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 10 physical rank 3 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 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 3 physical rank 3 will use CUDA device of pe 4 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 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 0.0296263 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.4375 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.2.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_membrane_0925/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE MD.1.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 100.018 0 0 Info: PERIODIC CELL BASIS 2 0 98.2483 0 Info: PERIODIC CELL BASIS 3 0 0 77.4082 Info: PERIODIC CELL CENTER -0.380358 -0.725538 1.44908 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE MD.1.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.2.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.2.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.2 Info: RESTART FILENAME MD.2.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.99 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 2.65631e-05 2.65631e-05 3.6533e-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 1474873086 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_membrane_QwikMD.pdb Info: STRUCTURE FILE 1qhj_membrane_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES MD.1.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 10.5358 Info: Reading pdb file 1qhj_membrane_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.27015 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 = 1.04581 g/cm^3 Info: ATOM DENSITY = 0.105953 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.1.restart.coor Info: Info: Entering startup at 11.5959 s, 152.953 MB of memory in use Info: Startup phase 0 took 0.000381892 s, 152.98 MB of memory in use Info: ADDED 238567 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.190977 s, 174.84 MB of memory in use Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556 Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556 Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946 Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946 Info: Updated CUDA LJ table with 357 x 357 elements. Info: Updated CUDA force table with 4096 elements. Info: Startup phase 2 took 0.0100383 s, 180.375 MB of memory in use Info: Startup phase 3 took 0.000241911 s, 180.754 MB of memory in use Info: Startup phase 4 took 0.00174579 s, 183.758 MB of memory in use Info: Startup phase 5 took 0.000224536 s, 183.895 MB of memory in use Info: PATCH GRID IS 11 (PERIODIC) BY 5 (PERIODIC) BY 4 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.1.restart.vel Info: REMOVING COM VELOCITY -0.0416091 -0.0259629 -0.00188891 Info: LARGEST PATCH (163) HAS 428 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 0.0635658 s, 198.457 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 0.273223 s, 199.402 MB of memory in use Info: Startup phase 8 took 0.00399051 s, 198.812 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00236787 s, 199.051 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 3 hosts 0 local and 6 remote patches for pe 4 Pe 5 hosts 0 local and 5 remote patches for pe 4 Pe 1 hosts 0 local and 8 remote patches for pe 4 Pe 2 hosts 0 local and 7 remote patches for pe 4 Pe 4 hosts 0 local and 9 remote patches for pe 4 Pe 0 hosts 0 local and 5 remote patches for pe 4 Pe 6 hosts 0 local and 12 remote patches for pe 4 Pe 10 hosts 0 local and 5 remote patches for pe 7 Pe 8 hosts 0 local and 5 remote patches for pe 7 Pe 7 hosts 0 local and 12 remote patches for pe 7 Pe 13 hosts 0 local and 8 remote patches for pe 7 Pe 9 hosts 0 local and 10 remote patches for pe 7 Pe 12 hosts 0 local and 5 remote patches for pe 7 Pe 11 hosts 0 local and 6 remote patches for pe 7 Info: Startup phase 10 took 0.0527511 s, 203.891 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 0.00045898 s, 203.984 MB of memory in use Info: Startup phase 12 took 0.00010296 s, 203.984 MB of memory in use Info: Finished startup at 12.196 s, 203.988 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 52 remote patches and 0 local and 230 remote computes. Pe 7 has 0 local and 51 remote patches and 0 local and 253 remote computes. PRESSURE: 0 -9.65859 22.0478 210.647 22.048 -26.3072 273.588 210.646 273.588 40.3365 GPRESSURE: 0 -39.1118 57.5015 194.317 110.619 74.3239 203.36 206.319 132.897 45.1758 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 4075.5663 20737.7624 14480.8992 238.3560 -203550.9862 2787.9254 0.0000 0.0000 52107.8877 -109122.5892 299.4647 -161230.4769 -108756.7670 299.4647 1.4569 26.7960 760660.2325 1.4569 26.7960 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 12.2919 LDB: ============== END OF LOAD BALANCING =============== 12.2921 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.2938 LDB: ============= START OF LOAD BALANCING ============== 12.5787 LDB: Largest compute 7057 load 0.027679 is 18.2% of average load 0.152209 LDB: Average compute 0.003474 is 2.3% of average load 0.152209 LDB: Partitioning computes with target load 0.015221 LDB: Increased migratable compute count from 1320 to 1320 LDB: Largest unpartitionable compute is 0.027679 LDB: ============== END OF LOAD BALANCING =============== 12.5834 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.5882 Info: Initial time: 140 CPUs 0.00367169 s/step 0.0212482 days/ns 220.812 MB memory LDB: ============= START OF LOAD BALANCING ============== 12.6523 LDB: ============== END OF LOAD BALANCING =============== 12.6524 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6541 LDB: ============= START OF LOAD BALANCING ============== 12.9065 LDB: Largest compute 7057 load 0.027466 is 18.0% of average load 0.152245 LDB: Average compute 0.003452 is 2.3% of average load 0.152245 LDB: TIME 12.9099 LOAD: AVG 0.152245 MAX 0.234738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.543 MB LDB: TIME 12.9115 LOAD: AVG 0.152245 MAX 0.161589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 TorusLB MEM: 223.551 MB LDB: ============== END OF LOAD BALANCING =============== 12.9148 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.9196 PRESSURE: 200 -48.1404 -223.891 178.065 -223.89 59.2994 -78.0825 178.065 -78.0823 -71.7235 GPRESSURE: 200 -49.6709 -176.079 31.5175 -289.011 123.763 -139.037 193.97 18.9678 -48.2174 PRESSAVG: 200 -48.1639 21.5102 -41.1437 21.5102 33.2341 23.5305 -41.1437 23.5306 14.3921 GPRESSAVG: 200 -47.3851 22.6033 -41.8668 22.3867 32.8081 22.1412 -39.9794 26.1864 13.7559 Info: Initial time: 140 CPUs 0.00315679 s/step 0.0182684 days/ns 222.816 MB memory TIMING: 200 CPU: 0.783836, 0.00354771/step Wall: 0.783836, 0.00354771/step, 4.92718 hours remaining, 222.820312 MB of memory in use. ENERGY: 200 4012.6880 20459.4777 14506.6950 227.8085 -202979.4587 2363.3064 0.0000 0.0000 52109.7523 -109299.7309 299.4755 -161409.4832 -108941.6511 299.9636 -20.1882 8.6251 763086.4313 -0.1792 -0.2737 LDB: ============= START OF LOAD BALANCING ============== 13.2308 LDB: Largest compute 7077 load 0.034573 is 17.9% of average load 0.192918 LDB: Average compute 0.004365 is 2.3% of average load 0.192918 LDB: TIME 13.2344 LOAD: AVG 0.192918 MAX 0.206474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.074 MB LDB: TIME 13.2348 LOAD: AVG 0.192918 MAX 0.206474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.117 MB LDB: TIME 13.2349 LOAD: AVG 0.192918 MAX 0.206474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.117 MB LDB: ============== END OF LOAD BALANCING =============== 13.2367 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.2417 Info: Initial time: 140 CPUs 0.00310828 s/step 0.0179877 days/ns 222.742 MB memory LDB: ============= START OF LOAD BALANCING ============== 13.5562 LDB: Largest compute 7077 load 0.032876 is 17.0% of average load 0.192917 LDB: Average compute 0.004339 is 2.2% of average load 0.192917 LDB: TIME 13.5595 LOAD: AVG 0.192917 MAX 0.20605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.945 MB LDB: TIME 13.5599 LOAD: AVG 0.192917 MAX 0.20605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.965 MB LDB: TIME 13.5599 LOAD: AVG 0.192917 MAX 0.20605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.965 MB LDB: ============== END OF LOAD BALANCING =============== 13.5618 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.5664 PRESSURE: 400 13.9533 -49.985 -14.773 -49.9853 -121.259 -111.528 -14.773 -111.528 -12.6819 GPRESSURE: 400 46.0195 -140.084 15.5073 -116.54 -59.7641 -177.181 -29.6888 -71.8811 -24.2604 PRESSAVG: 400 -56.3541 -88.8595 -14.8323 -88.8595 -4.85404 -3.89706 -14.8323 -3.89702 -1.48619 GPRESSAVG: 400 -56.1502 -90.3068 -13.136 -89.9227 -5.38052 -2.62069 -15.5184 -5.85251 -0.472854 Info: Benchmark time: 140 CPUs 0.00314391 s/step 0.0181939 days/ns 223.953 MB memory TIMING: 400 CPU: 1.43048, 0.00323322/step Wall: 1.43048, 0.00323322/step, 4.49023 hours remaining, 224.156250 MB of memory in use. ENERGY: 400 4032.6704 20455.3222 14518.8256 266.6555 -203135.3769 2552.3523 0.0000 0.0000 52062.9899 -109246.5609 299.2067 -161309.5508 -108878.4985 299.5439 -39.9959 -12.6683 761692.1111 -20.8981 -20.6679 Info: Benchmark time: 140 CPUs 0.00311547 s/step 0.0180293 days/ns 224.156 MB memory PRESSURE: 600 -139.951 -65.7766 -8.86697 -65.7766 -303.106 231.95 -8.86607 231.949 -215.032 GPRESSURE: 600 -178.53 -67.9535 93.9889 -97.7785 -233.836 387.278 -122.723 168.386 -151.654 PRESSAVG: 600 8.12894 66.2832 3.01734 66.2833 -13.983 -9.33334 3.01736 -9.33327 18.9247 GPRESSAVG: 600 7.46662 66.676 1.7962 68.0154 -13.9733 -9.55345 4.14732 -6.66657 19.9052 Info: Benchmark time: 140 CPUs 0.00310682 s/step 0.0179793 days/ns 224.156 MB memory TIMING: 600 CPU: 2.05293, 0.00311226/step Wall: 2.05293, 0.00311226/step, 4.32206 hours remaining, 224.160156 MB of memory in use. ENERGY: 600 4034.1154 20401.9176 14472.0735 275.5913 -203047.5540 2398.7839 0.0000 0.0000 52184.7898 -109280.2824 299.9067 -161465.0722 -108919.3176 299.6830 -219.3628 -188.0069 762083.8629 4.3569 4.4662 Info: Benchmark time: 140 CPUs 0.00310535 s/step 0.0179708 days/ns 224.16 MB memory PRESSURE: 800 -114.558 -68.4892 290.873 -68.488 5.62386 11.1965 290.873 11.1966 -253.731 GPRESSURE: 800 -20.9608 -39.5327 250.435 25.8134 -26.0098 -49.0387 278.153 98.597 -235.167 PRESSAVG: 800 -26.6123 -26.7784 -29.6503 -26.7784 26.3903 6.30465 -29.6504 6.30455 -11.4573 GPRESSAVG: 800 -27.569 -27.0592 -28.5134 -25.2346 26.7803 4.12962 -32.0545 5.60299 -11.6616 Info: Benchmark time: 140 CPUs 0.00312468 s/step 0.0180826 days/ns 224.16 MB memory TIMING: 800 CPU: 2.67616, 0.00311615/step Wall: 2.67616, 0.00311615/step, 4.3273 hours remaining, 224.160156 MB of memory in use. ENERGY: 800 3964.5460 20513.9968 14420.0543 253.3051 -202996.7817 2415.6873 0.0000 0.0000 52084.8692 -109344.3231 299.3325 -161429.1923 -108978.7086 299.3975 -120.8884 -94.0460 761070.2579 -3.8931 -4.1501 Info: Benchmark time: 140 CPUs 0.00313917 s/step 0.0181665 days/ns 224.16 MB memory PRESSURE: 1000 38.8429 138.814 -335.611 138.814 115.05 10.6713 -335.611 10.671 -167.499 GPRESSURE: 1000 73.4645 63.4451 -320.24 189.576 162.166 14.8005 -326.443 107.477 -149.615 PRESSAVG: 1000 -2.38852 -29.3392 -37.6036 -29.3392 49.873 -27.859 -37.6036 -27.859 4.49353 GPRESSAVG: 1000 -1.96426 -29.6525 -38.6637 -31.6924 49.4675 -25.2115 -36.608 -28.2042 4.15679 TIMING: 1000 CPU: 3.30293, 0.00313383/step Wall: 3.30293, 0.00313383/step, 4.35168 hours remaining, 224.160156 MB of memory in use. ENERGY: 1000 3972.6780 20358.3878 14479.9770 264.7268 -203223.6895 2553.8090 0.0000 0.0000 52028.1634 -109565.9476 299.0066 -161594.1109 -109207.8149 299.5041 -4.5354 28.6717 761158.9891 17.3260 17.2200 PRESSURE: 1200 -67.6634 207.167 -230.929 207.166 -273.678 -157.446 -230.93 -157.445 -7.7353 GPRESSURE: 1200 -7.19395 56.4911 -141.662 122.2 -235.734 -93.5513 -242.762 -292.925 10.7052 PRESSAVG: 1200 -48.0124 -50.1622 -67.8226 -50.1622 31.9582 -39.1264 -67.8225 -39.1264 13.7908 GPRESSAVG: 1200 -48.6069 -50.0473 -67.0575 -49.6772 32.0647 -38.8416 -66.0395 -40.4804 13.9143 TIMING: 1200 CPU: 3.92673, 0.003119/step Wall: 3.92673, 0.003119/step, 4.33091 hours remaining, 224.238281 MB of memory in use. ENERGY: 1200 3979.1518 20381.0910 14482.3177 258.1151 -203172.4725 2647.8559 0.0000 0.0000 51763.5094 -109660.4316 297.4856 -161423.9410 -109297.2675 298.7515 -116.3588 -77.4077 761301.0960 -0.7545 -0.8760 PRESSURE: 1400 -164.014 -53.8831 -129.872 -53.8829 -213.853 112.764 -129.871 112.765 22.4327 GPRESSURE: 1400 -181.576 5.27875 -92.1576 -80.8509 -128.449 93.7237 -42.9468 92.6083 42.748 PRESSAVG: 1400 -3.08132 -9.72726 -40.6538 -9.72724 33.4287 -26.3766 -40.6538 -26.3765 -4.53172 GPRESSAVG: 1400 -1.67903 -10.6742 -41.0953 -10.023 33.4537 -27.1971 -43.8198 -26.1619 -6.04919 TIMING: 1400 CPU: 4.55174, 0.00312507/step Wall: 4.55174, 0.00312507/step, 4.33916 hours remaining, 224.238281 MB of memory in use. ENERGY: 1400 3980.7154 20280.4112 14482.4773 244.3867 -203180.2920 2535.4885 0.0000 0.0000 52131.4620 -109525.3509 299.6002 -161656.8129 -109163.5853 299.2130 -118.4783 -89.0921 760666.9007 8.6052 8.5752 PRESSURE: 1600 -192.431 116.136 55.7185 116.136 -31.4857 -44.7987 55.7206 -44.7974 -9.5892 GPRESSURE: 1600 -246.508 -23.4907 13.9545 129.341 -0.213683 -7.68844 61.2361 56.9129 95.4298 PRESSAVG: 1600 -49.8329 -9.37736 44.6159 -9.37736 7.18342 -11.3723 44.6159 -11.3722 2.80263 GPRESSAVG: 1600 -50.7101 -9.90417 42.1028 -11.0238 6.47174 -11.0228 45.4786 -9.52957 4.09697 TIMING: 1600 CPU: 5.1761, 0.00312179/step Wall: 5.1761, 0.00312179/step, 4.33443 hours remaining, 224.238281 MB of memory in use. ENERGY: 1600 4002.3165 20418.6330 14520.6424 256.0358 -203037.9550 2462.3328 0.0000 0.0000 51790.8584 -109587.1360 297.6428 -161377.9944 -109224.9708 298.4343 -77.8351 -50.4307 762310.6357 -13.2823 -13.3805 PRESSURE: 1800 -247.698 -115.447 38.1001 -115.447 17.3867 -109.898 38.1005 -109.897 -61.3151 GPRESSURE: 1800 -192.109 -99.8387 36.0441 51.4252 57.2811 -196.022 -71.849 -83.379 -64.0618 PRESSAVG: 1800 5.99385 -3.12247 -1.9216 -3.12251 4.43349 -53.1289 -1.92154 -53.1289 -9.54718 GPRESSAVG: 1800 6.4263 -1.61281 -0.717219 -1.99884 5.86227 -53.5612 -0.819745 -56.4138 -10.6561 TIMING: 1800 CPU: 5.79757, 0.00310735/step Wall: 5.79757, 0.00310735/step, 4.31421 hours remaining, 224.582031 MB of memory in use. ENERGY: 1800 4014.6277 20547.4550 14406.4831 245.8642 -203737.6470 2796.5150 0.0000 0.0000 52145.3295 -109581.3726 299.6799 -161726.7020 -109221.1449 298.7534 -97.2089 -66.2965 762045.3764 0.2934 0.5442 PRESSURE: 2000 -104.264 163.85 46.4842 163.85 103.833 25.8786 46.4834 25.8795 328.529 GPRESSURE: 2000 -114.929 93.0506 108.457 178.471 173.88 87.7319 35.7273 14.32 329.86 PRESSAVG: 2000 -41.3361 -42.3109 10.749 -42.3109 43.0748 13.3807 10.749 13.3808 2.60178 GPRESSAVG: 2000 -41.8195 -43.8285 9.02308 -42.0684 43.1042 12.3464 10.7897 15.4134 2.75714 TIMING: 2000 CPU: 6.42567, 0.0031405/step Wall: 6.42567, 0.0031405/step, 4.36007 hours remaining, 224.609375 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: 2000 3953.7948 20518.1306 14552.6365 266.8925 -203378.4116 2687.0642 0.0000 0.0000 52152.4365 -109247.4564 299.7208 -161399.8930 -108883.2021 298.9793 109.3659 129.6035 761271.5551 1.4468 1.3473 PRESSURE: 2200 -33.157 -84.9336 -208.574 -84.9336 404.363 96.0769 -208.575 96.0765 -248.005 GPRESSURE: 2200 43.7347 -40.0791 -168.527 19.9061 330.781 150.541 -64.908 131.356 -168.267 PRESSAVG: 2200 11.4604 -35.6688 -2.34722 -35.6688 -5.96199 -64.9518 -2.34722 -64.9518 -3.31201 GPRESSAVG: 2200 13.0568 -36.2969 1.41739 -34.8542 -7.9358 -66.0089 -2.73292 -64.7192 -2.88055 TIMING: 2200 CPU: 7.04993, 0.0031213/step Wall: 7.04993, 0.0031213/step, 4.33323 hours remaining, 224.609375 MB of memory in use. ENERGY: 2200 4030.0658 20471.2037 14480.2182 241.1960 -203088.8208 2556.7058 0.0000 0.0000 52089.8482 -109219.5830 299.3611 -161309.4312 -108853.5360 299.3475 41.0672 68.7499 760425.6854 0.7288 0.7468 PRESSURE: 2400 -171.416 225.535 64.9654 225.535 -292.825 -172.24 64.9643 -172.239 -327.088 GPRESSURE: 2400 -99.9669 128.914 -26.2463 99.4411 -311.15 -124.222 164.261 -209.224 -311.182 PRESSAVG: 2400 -0.240073 -41.7862 0.042647 -41.7861 -2.24592 -18.7893 0.0426314 -18.7893 -29.7967 GPRESSAVG: 2400 -0.729394 -39.7944 -1.49155 -43.1664 -0.886106 -16.3207 -1.14868 -18.4543 -30.7413 TIMING: 2400 CPU: 7.67431, 0.00312188/step Wall: 7.67431, 0.00312187/step, 4.33386 hours remaining, 224.609375 MB of memory in use. ENERGY: 2400 4030.9739 20622.9118 14399.9497 235.8889 -203209.4043 2376.5145 0.0000 0.0000 52273.9226 -109269.2429 300.4190 -161543.1655 -108907.6570 299.5729 -263.7765 -240.7663 761045.9848 -10.7609 -10.7856 PRESSURE: 2600 -46.4981 153.845 93.2502 153.846 122.686 199.322 93.2515 199.323 -335.439 GPRESSURE: 2600 -55.4579 78.1918 56.4651 128.829 236.198 177.142 87.6616 109.81 -335.365 PRESSAVG: 2600 -34.5058 -4.58795 15.1178 -4.5879 19.1654 -17.3425 15.1179 -17.3425 8.42358 GPRESSAVG: 2600 -35.5451 -4.8729 14.7714 -3.85659 19.4513 -17.9536 15.0978 -18.4957 9.24673 TIMING: 2600 CPU: 8.29482, 0.00310256/step Wall: 8.29482, 0.00310256/step, 4.30687 hours remaining, 224.636719 MB of memory in use. ENERGY: 2600 4029.1132 20581.5409 14461.0297 223.7344 -203644.9737 2714.5817 0.0000 0.0000 52358.1816 -109276.7922 300.9032 -161634.9739 -108912.0593 299.8012 -86.4168 -51.5417 760288.8473 -2.3056 -2.2823 PRESSURE: 2800 -353.329 -146.89 -44.7988 -146.89 -1.76772 101.602 -44.7984 101.604 -16.8088 GPRESSURE: 2800 -315.747 -140.593 32.6539 -228.2 70.1381 61.2732 17.4927 127.076 -39.5736 PRESSAVG: 2800 -24.491 -38.0568 -2.66132 -38.0568 9.2855 14.6949 -2.66131 14.695 -19.5962 GPRESSAVG: 2800 -23.9635 -37.9123 -2.41909 -39.7825 8.33992 12.5848 -1.2872 14.7618 -19.461 TIMING: 2800 CPU: 8.91622, 0.003107/step Wall: 8.91622, 0.00310701/step, 4.31287 hours remaining, 224.636719 MB of memory in use. ENERGY: 2800 4022.2461 20350.2915 14470.2515 237.6415 -202969.7555 2371.9501 0.0000 0.0000 52211.9048 -109305.4700 300.0625 -161517.3748 -108930.8429 299.2049 -123.9684 -95.0608 759819.9394 -11.6005 -11.6949 PRESSURE: 3000 -58.1524 106.073 158.475 106.072 97.9297 153.163 158.474 153.163 -103.535 GPRESSURE: 3000 29.4453 134.932 157.014 47.5541 84.5415 170.525 177.665 110.532 -90.2962 PRESSAVG: 3000 -2.80304 -72.9796 -39.0662 -72.9796 12.1649 13.6037 -39.0662 13.6036 -15.5719 GPRESSAVG: 3000 -1.51533 -73.6311 -37.9843 -71.2215 10.7966 17.7729 -40.7539 13.2959 -15.3476 TIMING: 3000 CPU: 9.54042, 0.00312098/step Wall: 9.54042, 0.00312098/step, 4.3321 hours remaining, 224.636719 MB of memory in use. ENERGY: 3000 3913.1475 20622.9752 14540.1915 241.7251 -203414.4623 2562.6444 0.0000 0.0000 52176.3386 -109357.4401 299.8581 -161533.7786 -108993.9477 299.5628 -21.2526 7.8969 759772.6014 -2.0700 -2.0221 PRESSURE: 3200 21.1091 -152.934 230.995 -152.934 200.438 -80.2291 230.994 -80.2289 386.231 GPRESSURE: 3200 17.9185 -119.79 272.688 -98.2968 282.193 -63.2696 173.213 -153.279 382.008 PRESSAVG: 3200 15.2323 -55.1144 -60.7155 -55.1144 -4.85349 35.0079 -60.7155 35.0079 -5.455 GPRESSAVG: 3200 14.619 -55.3632 -59.5979 -55.8194 -3.25947 33.6953 -61.4471 34.7719 -6.4995 TIMING: 3200 CPU: 10.1638, 0.00311691/step Wall: 10.1638, 0.00311691/step, 4.32627 hours remaining, 224.640625 MB of memory in use. ENERGY: 3200 4047.6127 20388.6724 14471.7066 257.3622 -203333.2563 2513.7996 0.0000 0.0000 52383.3796 -109270.7233 301.0480 -161654.1029 -108899.0431 299.8237 202.5929 227.3732 760792.8820 1.6413 1.6200 PRESSURE: 3400 -113.816 121.416 148.643 121.416 -37.9983 149.958 148.643 149.957 291.602 GPRESSURE: 3400 -52.253 73.8521 66.8796 -46.9908 47.4781 118.767 62.496 165.673 232.593 PRESSAVG: 3400 20.5869 -19.0532 9.02378 -19.0533 -18.2792 -5.2432 9.02371 -5.24328 7.64117 GPRESSAVG: 3400 19.4688 -18.0867 6.19908 -17.7353 -17.6462 -6.15247 8.45091 -4.32672 7.85479 TIMING: 3400 CPU: 10.7897, 0.00312954/step Wall: 10.7897, 0.00312954/step, 4.34363 hours remaining, 224.636719 MB of memory in use. ENERGY: 3400 4026.6875 20635.7331 14514.5555 257.5616 -203214.9210 2630.6467 0.0000 0.0000 52087.0490 -109062.6876 299.3450 -161149.7366 -108710.7713 300.3455 46.5957 75.9392 759965.9598 3.3163 3.2258 PRESSURE: 3600 171.298 -68.0254 -30.1924 -68.0253 181.039 -50.898 -30.194 -50.8981 123.325 GPRESSURE: 3600 252.722 15.5518 -6.71818 -82.8997 226.112 -13.5456 -33.6424 -177.249 70.1065 PRESSAVG: 3600 -18.5904 -38.8814 -33.1 -38.8814 31.8738 -42.0088 -33.1001 -42.0088 -25.6563 GPRESSAVG: 3600 -18.1105 -41.7936 -31.7582 -40.031 31.1161 -40.4144 -29.5208 -41.3623 -25.106 TIMING: 3600 CPU: 11.4139, 0.00312084/step Wall: 11.4139, 0.00312084/step, 4.33138 hours remaining, 224.636719 MB of memory in use. ENERGY: 3600 4049.0410 20700.4320 14474.0065 249.1072 -203335.9210 2644.1525 0.0000 0.0000 52205.3627 -109013.8191 300.0249 -161219.1819 -108652.0222 300.5263 158.5543 182.9804 760575.2749 -4.1243 -4.0335 PRESSURE: 3800 -112.704 58.2804 -67.6987 58.2795 18.596 -269.726 -67.6982 -269.727 -187.244 GPRESSURE: 3800 -75.1531 -108.344 -76.8775 75.6377 75.2746 -310.726 -98.7976 -370.962 -186.143 PRESSAVG: 3800 -20.3625 -36.2474 -30.5617 -36.2473 9.37113 5.70032 -30.5616 5.70033 18.26 GPRESSAVG: 3800 -19.4799 -32.5994 -30.5002 -36.2027 9.57382 5.08151 -30.6091 4.16208 17.2107 TIMING: 3800 CPU: 12.0385, 0.0031231/step Wall: 12.0385, 0.0031231/step, 4.33434 hours remaining, 224.640625 MB of memory in use. ENERGY: 3800 3968.8586 20537.5403 14541.6374 266.2214 -202826.2100 2276.1973 0.0000 0.0000 52144.4705 -109091.2846 299.6750 -161235.7550 -108722.2547 300.6109 -93.7840 -62.0073 761986.9474 2.4229 2.4349 PRESSURE: 4000 416.802 -200.005 -98.591 -200.005 98.8944 4.51884 -98.5911 4.51766 -36.6032 GPRESSURE: 4000 423.489 -272.15 -183.952 -149.901 51.6096 -54.9279 -60.8005 -9.02546 117.787 PRESSAVG: 4000 18.0816 -47.929 -13.4589 -47.9289 -27.5872 -28.4424 -13.4589 -28.4424 -11.5541 GPRESSAVG: 4000 18.3086 -47.4902 -14.8024 -48.1457 -27.8271 -29.073 -15.4132 -28.6904 -11.0201 TIMING: 4000 CPU: 12.6638, 0.00312627/step Wall: 12.6638, 0.00312627/step, 4.33857 hours remaining, 224.640625 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: 4000 4015.2238 20703.0158 14438.4350 245.1943 -203426.2164 2693.5721 0.0000 0.0000 52082.1035 -109248.6719 299.3166 -161330.7754 -108892.5452 300.2857 159.6978 197.6288 760028.2164 -7.0199 -6.8462 PRESSURE: 4200 370.316 -9.26875 31.702 -9.26851 194.09 81.2372 31.7032 81.2375 264.913 GPRESSURE: 4200 439.851 -37.347 90.4229 -11.8539 246.294 115.729 -111.875 -30.8678 218.489 PRESSAVG: 4200 26.1117 0.987439 -65.8192 0.987477 26.6565 -7.05907 -65.8193 -7.05902 49.7016 GPRESSAVG: 4200 25.5509 0.757013 -65.4945 -0.514925 27.2166 -5.90562 -66.6047 -6.81427 49.4053 TIMING: 4200 CPU: 13.2933, 0.00314764/step Wall: 13.2933, 0.00314764/step, 4.36805 hours remaining, 224.644531 MB of memory in use. ENERGY: 4200 4015.3921 20351.2474 14537.3175 249.5695 -203296.7906 2532.8724 0.0000 0.0000 52206.8396 -109403.5521 300.0334 -161610.3917 -109033.1961 300.0474 276.4394 301.5446 760274.8918 34.1566 34.0576 LDB: ============= START OF LOAD BALANCING ============== 25.7435 LDB: ============== END OF LOAD BALANCING =============== 25.7437 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 25.7454 LDB: ============= START OF LOAD BALANCING ============== 26.0595 LDB: Largest compute 7076 load 0.034745 is 17.9% of average load 0.193746 LDB: Average compute 0.004380 is 2.3% of average load 0.193746 LDB: TIME 26.0628 LOAD: AVG 0.193746 MAX 0.20942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.449 MB LDB: TIME 26.0632 LOAD: AVG 0.193746 MAX 0.20942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.449 MB LDB: TIME 26.0633 LOAD: AVG 0.193746 MAX 0.20942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.449 MB LDB: ============== END OF LOAD BALANCING =============== 26.0653 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 26.0701 PRESSURE: 4400 156.68 -48.9134 -28.8745 -48.9142 179.749 122.131 -28.8757 122.131 15.342 GPRESSURE: 4400 131.49 -131.675 12.6684 -23.9741 268.633 -37.4574 -143.478 155.958 22.7179 PRESSAVG: 4400 -17.1763 -53.6239 -30.9239 -53.6239 -8.93788 9.20805 -30.9239 9.20801 3.49456 GPRESSAVG: 4400 -16.0955 -54.4738 -31.3191 -51.5602 -9.86868 7.93365 -31.5143 8.94047 2.77406 TIMING: 4400 CPU: 13.9342, 0.00320471/step Wall: 13.9342, 0.00320471/step, 4.44707 hours remaining, 224.378906 MB of memory in use. ENERGY: 4400 3982.1105 20270.1720 14382.2066 254.2892 -203471.3530 2411.2738 0.0000 0.0000 52270.2503 -109901.0507 300.3978 -162171.3010 -109535.3739 299.0587 117.2569 140.9470 760431.9959 -7.5399 -7.7300 PRESSURE: 4600 60.0702 105.876 -9.87712 105.875 -67.2091 41.6638 -9.87665 41.664 8.89246 GPRESSURE: 4600 28.2837 59.174 -24.165 135.159 71.3751 -20.6767 47.5182 76.643 4.09477 PRESSAVG: 4600 30.7192 -64.2369 13.5477 -64.2369 -1.25309 -24.2058 13.5476 -24.2058 6.89611 GPRESSAVG: 4600 30.0671 -63.969 15.7883 -66.8793 -0.313138 -24.019 15.1492 -23.1699 6.88696 TIMING: 4600 CPU: 14.5617, 0.00313728/step Wall: 14.5617, 0.00313728/step, 4.35333 hours remaining, 224.378906 MB of memory in use. ENERGY: 4600 4017.2159 20406.9877 14492.2842 219.3094 -203117.0186 2339.8029 0.0000 0.0000 51647.6382 -109993.7803 296.8197 -161641.4185 -109632.9226 298.0732 0.5845 34.5845 761045.8090 12.1207 12.2136 PRESSURE: 4800 308.386 209.095 -43.9152 209.094 11.7715 70.5651 -43.9165 70.5652 224.65 GPRESSURE: 4800 333.673 331.408 -16.7405 241.561 56.0912 68.2212 -36.816 161.248 265.929 PRESSAVG: 4800 10.0214 -20.0644 -4.41735 -20.0645 18.4202 -8.83946 -4.41734 -8.83949 -16.1253 GPRESSAVG: 4800 9.78342 -20.6439 -4.93693 -18.3828 17.4966 -8.04546 -4.4283 -9.11225 -14.829 TIMING: 4800 CPU: 15.1913, 0.00314835/step Wall: 15.1913, 0.00314835/step, 4.36851 hours remaining, 224.378906 MB of memory in use. ENERGY: 4800 3911.6930 20316.6111 14417.3677 270.9555 -203456.5888 2627.3750 0.0000 0.0000 51851.4124 -110061.1742 297.9908 -161912.5866 -109692.6042 297.4423 181.6025 218.5644 760840.1333 4.1054 4.1503 PRESSURE: 5000 -268.283 -205.07 94.773 -205.071 -153.994 138.634 94.773 138.634 70.1871 GPRESSURE: 5000 -258.51 -209.606 135.218 -193.06 -93.4282 88.9963 96.4353 69.3814 83.9206 PRESSAVG: 5000 -29.0935 -63.71 30.9373 -63.71 -13.285 -1.38634 30.9374 -1.38639 -17.1956 GPRESSAVG: 5000 -29.4449 -63.6782 31.3931 -61.7838 -12.9764 -1.64936 31.3197 -2.11573 -17.325 TIMING: 5000 CPU: 15.8152, 0.0031195/step Wall: 15.8152, 0.0031195/step, 4.32831 hours remaining, 224.464844 MB of memory in use. ENERGY: 5000 3954.8476 20488.6249 14404.1786 245.8719 -203401.5181 2484.6529 0.0000 0.0000 51720.3644 -110102.9778 297.2376 -161823.3422 -109747.9788 297.6118 -117.3632 -89.3391 760635.5193 -19.8580 -19.9154 PRESSURE: 5200 98.4313 -85.8529 117.731 -85.8524 -30.9081 167.816 117.73 167.815 -139.66 GPRESSURE: 5200 39.1385 -127.382 31.5293 -69.2458 7.19282 275.246 127.13 134.562 -18.6863 PRESSAVG: 5200 6.53034 -4.53448 14.2959 -4.53456 1.28924 1.62042 14.2958 1.62038 -10.0428 GPRESSAVG: 5200 7.16607 -2.80733 12.644 -6.95206 0.236522 1.88788 16.1834 0.210896 -9.75005 TIMING: 5200 CPU: 16.4423, 0.00313518/step Wall: 16.4423, 0.00313518/step, 4.34988 hours remaining, 224.511719 MB of memory in use. ENERGY: 5200 4012.1060 20373.2284 14476.8149 250.1313 -203406.3582 2466.6050 0.0000 0.0000 52009.0438 -109818.4289 298.8967 -161827.4727 -109450.7372 297.9304 -24.0457 9.2150 760718.2196 -0.7411 -0.7825 PRESSURE: 5400 -86.6322 4.50671 73.0184 4.50668 115.277 75.4454 73.0182 75.4448 309.527 GPRESSURE: 5400 -2.16284 92.3574 177.761 3.07219 120.677 150.342 -82.0104 106.116 320.624 PRESSAVG: 5400 20.3997 -17.324 27.6002 -17.3241 -29.6137 21.1241 27.6002 21.1242 21.0372 GPRESSAVG: 5400 20.9254 -17.3752 28.9706 -15.5129 -29.7356 21.1936 25.2316 24.2551 20.4547 TIMING: 5400 CPU: 17.0696, 0.00313665/step Wall: 17.0696, 0.00313665/step, 4.35176 hours remaining, 224.816406 MB of memory in use. ENERGY: 5400 3939.9485 20590.0166 14434.5619 242.0600 -203730.9389 2742.7397 0.0000 0.0000 51932.6384 -109848.9736 298.4576 -161781.6121 -109484.5319 298.5098 112.7241 146.3792 761024.5711 3.9411 3.8815 PRESSURE: 5600 -352.679 -117.304 68.9832 -117.303 -270.241 226.77 68.9832 226.771 -126.199 GPRESSURE: 5600 -430.625 -59.2244 46.7224 -122.103 -89.4785 182.924 116.56 115.41 -126.568 PRESSAVG: 5600 -5.68809 -12.7136 -4.6829 -12.7135 -21.0883 -3.22065 -4.68293 -3.2207 -38.963 GPRESSAVG: 5600 -6.85553 -14.39 -5.22119 -11.6312 -19.8088 -4.81464 -5.33807 -4.12989 -38.8546 TIMING: 5600 CPU: 17.696, 0.00313175/step Wall: 17.696, 0.00313175/step, 4.34478 hours remaining, 224.828125 MB of memory in use. ENERGY: 5600 4060.7693 20472.8227 14366.8093 231.5968 -203685.6569 2621.4642 0.0000 0.0000 52165.0698 -109767.1248 299.7934 -161932.1946 -109402.8295 298.6574 -249.7062 -215.5572 762128.5678 -21.9131 -21.8396 PRESSURE: 5800 303.664 77.5097 14.4964 77.5091 73.2186 138.353 14.4958 138.353 61.8754 GPRESSURE: 5800 255.351 -5.46685 10.9832 -31.9191 171.361 98.2133 -41.4073 66.8362 77.7281 PRESSAVG: 5800 -35.4728 -19.326 -29.0516 -19.3259 20.7914 -15.9706 -29.0516 -15.9707 3.46388 GPRESSAVG: 5800 -35.8173 -18.5873 -26.9317 -21.3997 20.5581 -14.3282 -27.3676 -18.1077 4.09314 TIMING: 5800 CPU: 18.327, 0.00315494/step Wall: 18.327, 0.00315494/step, 4.37677 hours remaining, 224.835938 MB of memory in use. ENERGY: 5800 3888.7798 20596.0278 14457.5242 261.0493 -203499.0850 2593.2775 0.0000 0.0000 51843.4015 -109859.0250 297.9447 -161702.4265 -109489.9608 298.6153 146.2526 168.1468 762402.7013 -3.7392 -3.7220 PRESSURE: 6000 -364.413 -30.4431 -157.996 -30.4436 -86.9795 -94.8934 -157.996 -94.8946 -100.987 GPRESSURE: 6000 -305.85 55.4114 -142.621 -110.826 -55.9074 -49.3455 -152.528 -32.4456 -109.972 PRESSAVG: 6000 -0.139557 -1.66369 10.533 -1.66364 -32.9968 -16.3862 10.5331 -16.3862 13.6856 GPRESSAVG: 6000 0.200388 -0.934957 8.26476 -1.12147 -33.2446 -16.3853 9.44675 -12.7231 12.5335 TIMING: 6000 CPU: 18.9567, 0.00314857/step Wall: 18.9567, 0.00314857/step, 4.36776 hours remaining, 224.835938 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: 6000 3948.7070 20541.1477 14391.6530 239.1809 -203210.4317 2249.4189 0.0000 0.0000 52108.8032 -109731.5211 299.4700 -161840.3243 -109379.2303 298.7264 -184.1265 -157.2431 760858.7033 -6.4836 -6.8369 PRESSURE: 6200 179.303 -113.452 -8.74644 -113.452 -82.8405 92.1698 -8.74759 92.1706 51.7892 GPRESSURE: 6200 157.003 -28.9753 9.48875 -161.676 -32.3204 107.883 109.526 128.313 113.195 PRESSAVG: 6200 -36.3726 12.8068 -4.0519 12.8068 37.933 -9.32372 -4.05196 -9.32372 3.52652 GPRESSAVG: 6200 -36.5392 12.0369 -3.54528 14.3073 37.6654 -10.2189 -3.37814 -9.98953 4.23495 TIMING: 6200 CPU: 19.5816, 0.00312446/step Wall: 19.5816, 0.00312446/step, 4.33414 hours remaining, 224.839844 MB of memory in use. ENERGY: 6200 3982.4750 20579.8962 14466.5249 242.3406 -203418.4603 2505.5973 0.0000 0.0000 51870.9116 -109770.7148 298.1028 -161641.6264 -109404.6539 298.4958 49.4172 79.2927 761034.9664 1.6956 1.7871 PRESSURE: 6400 337.314 -145.472 -77.6291 -145.472 103.077 -76.3691 -77.629 -76.3694 91.955 GPRESSURE: 6400 392.3 -203.512 -138.272 -184.133 66.5245 -70.3224 -38.7285 -70.58 138.87 PRESSAVG: 6400 -15.0919 -17.4239 -17.872 -17.4238 23.4212 -14.3113 -17.8719 -14.3114 -15.4015 GPRESSAVG: 6400 -14.4792 -17.8453 -19.3068 -20.143 22.2105 -13.7124 -16.6789 -15.3494 -15.0465 TIMING: 6400 CPU: 20.2079, 0.00313195/step Wall: 20.2079, 0.00313195/step, 4.34436 hours remaining, 224.839844 MB of memory in use. ENERGY: 6400 4005.0447 20380.5745 14402.6139 245.5539 -203616.4258 2784.4234 0.0000 0.0000 51955.1754 -109843.0400 298.5871 -161798.2154 -109480.3073 298.1126 177.4487 199.2317 758549.7948 -2.3574 -2.4384 PRESSURE: 6600 179.828 91.5927 -112.338 91.5931 377.205 -72.5332 -112.338 -72.5343 133.306 GPRESSURE: 6600 231.984 76.2563 -117.994 65.9836 407.232 -5.54974 -108.804 23.7094 145.139 PRESSAVG: 6600 37.373 -11.0726 15.1116 -11.0725 -46.1039 34.1454 15.1116 34.1454 4.73011 GPRESSAVG: 6600 37.5424 -8.99643 15.2491 -9.94094 -45.8741 34.6715 16.1202 35.9811 4.25957 TIMING: 6600 CPU: 20.8377, 0.00314878/step Wall: 20.8377, 0.00314878/step, 4.36754 hours remaining, 224.839844 MB of memory in use. ENERGY: 6600 3959.8977 20471.4045 14407.4845 249.2746 -203797.0511 2703.8558 0.0000 0.0000 52091.0219 -109914.1121 299.3678 -162005.1339 -109550.8373 298.5779 230.1129 261.4517 758704.1002 -1.3336 -1.3574 PRESSURE: 6800 -94.1608 -61.8773 -39.6845 -61.8771 140.596 218.752 -39.684 218.753 -127.317 GPRESSURE: 6800 -80.9759 -38.3374 -104.039 -88.0168 141.064 158.451 -155.226 137.881 -47.8687 PRESSAVG: 6800 6.91698 -52.3883 1.52039 -52.3883 5.55419 -29.1893 1.52044 -29.1892 18.6643 GPRESSAVG: 6800 6.85016 -53.3803 1.33519 -52.5427 5.85734 -29.3938 1.88488 -30.6319 18.3114 TIMING: 6800 CPU: 21.4688, 0.00315549/step Wall: 21.4688, 0.00315549/step, 4.37667 hours remaining, 224.839844 MB of memory in use. ENERGY: 6800 4007.6141 20369.9238 14447.3122 277.6556 -203619.1770 2660.4107 0.0000 0.0000 52078.7806 -109777.4800 299.2975 -161856.2606 -109420.3900 299.0527 -26.9606 4.0731 759587.5773 10.3785 10.3396 PRESSURE: 7000 -66.4141 -88.2969 -86.9701 -88.2975 -48.0342 -158.609 -86.9706 -158.609 192.826 GPRESSURE: 7000 -66.9623 -152.29 -129.139 -101.133 -27.5061 -194.38 -111.819 -124.285 269.186 PRESSAVG: 7000 32.4758 -41.9107 -18.1723 -41.9107 7.62838 -33.6497 -18.1722 -33.6497 -17.5037 GPRESSAVG: 7000 33.0581 -42.1801 -17.4721 -42.1916 6.75226 -32.076 -20.8986 -34.0938 -16.8126 TIMING: 7000 CPU: 22.0951, 0.00313136/step Wall: 22.0951, 0.00313136/step, 4.34302 hours remaining, 224.839844 MB of memory in use. ENERGY: 7000 3933.5474 20452.5169 14428.2426 243.9674 -203391.6430 2503.5698 0.0000 0.0000 52018.3179 -109811.4810 298.9500 -161829.7989 -109439.6724 298.7561 26.1259 58.2392 760967.3260 7.5335 7.6659 PRESSURE: 7200 131.418 41.5437 -66.0217 41.5439 248.34 -183.196 -66.0211 -183.197 304.336 GPRESSURE: 7200 170.472 -40.9524 -32.2686 4.73318 322.72 -110.363 -172.191 -106.393 260.359 PRESSAVG: 7200 2.47859 -44.9912 -14.8655 -44.9912 -29.3421 -31.7531 -14.8655 -31.7531 10.0104 GPRESSAVG: 7200 1.81247 -45.8388 -14.9469 -44.0384 -28.043 -34.5566 -14.5907 -31.3054 8.93111 TIMING: 7200 CPU: 22.7249, 0.00314923/step Wall: 22.7249, 0.00314923/step, 4.36763 hours remaining, 224.839844 MB of memory in use. ENERGY: 7200 3964.2552 20649.1692 14531.8661 247.0982 -203510.8715 2739.9216 0.0000 0.0000 51713.6157 -109664.9455 297.1989 -161378.5612 -109324.4772 298.4415 228.0313 251.1836 759256.9317 -5.6177 -5.7665 PRESSURE: 7400 -606.681 -25.29 -65.3298 -25.2896 93.7954 10.4109 -65.3299 10.4111 -57.4019 GPRESSURE: 7400 -392.1 -124.598 11.557 -101.707 -27.9369 52.3569 66.7349 40.0734 -64.9557 PRESSAVG: 7400 -24.2389 -36.1084 30.4601 -36.1083 27.7992 -53.4852 30.4602 -53.4853 24.418 GPRESSAVG: 7400 -24.2499 -38.0185 31.3841 -36.7806 27.1505 -52.1082 31.0466 -52.1202 24.828 TIMING: 7400 CPU: 23.3535, 0.00314288/step Wall: 23.3535, 0.00314288/step, 4.35865 hours remaining, 224.839844 MB of memory in use. ENERGY: 7400 4028.8874 20452.1816 14468.6514 254.6910 -203131.9674 2280.7910 0.0000 0.0000 52035.1085 -109611.6564 299.0465 -161646.7649 -109245.4265 298.9689 -190.0959 -161.6642 761971.9696 9.3261 9.2429 PRESSURE: 7600 -313.746 -103.267 1.311 -103.266 -4.20898 -227.015 1.31019 -227.016 -23.9661 GPRESSURE: 7600 -332.882 -7.57722 15.7281 -92.5087 173.408 -247.088 -85.5731 -102.332 -92.2584 PRESSAVG: 7600 8.83034 -43.0479 24.4442 -43.0479 28.1461 -0.355989 24.4442 -0.355997 -2.53735 GPRESSAVG: 7600 9.63721 -40.4559 23.8817 -43.0362 28.6044 -0.441639 25.2118 -2.80939 -3.46832 TIMING: 7600 CPU: 23.9804, 0.00313459/step Wall: 23.9804, 0.00313459/step, 4.34698 hours remaining, 224.839844 MB of memory in use. ENERGY: 7600 3991.9971 20424.0728 14447.8106 254.5850 -203397.7907 2578.3502 0.0000 0.0000 52165.7284 -109535.2467 299.7972 -161700.9751 -109160.8745 298.9098 -113.9736 -83.9107 761150.0782 11.4797 11.5911 PRESSURE: 7800 11.2935 -171.204 -328.287 -171.204 -19.3532 169.009 -328.287 169.008 -42.7474 GPRESSURE: 7800 -22.8281 -212.86 -387.995 -193.334 83.9623 137.42 -278.686 25.0098 -45.513 PRESSAVG: 7800 -1.2684 -79.2847 -0.577593 -79.2847 6.05189 2.69296 -0.577572 2.69284 0.865387 GPRESSAVG: 7800 -2.08062 -78.724 -1.26121 -80.7387 6.5187 3.5697 -3.3873 2.75918 1.31164 TIMING: 7800 CPU: 24.6072, 0.00313386/step Wall: 24.6072, 0.00313386/step, 4.34579 hours remaining, 224.839844 MB of memory in use. ENERGY: 7800 3902.9039 20415.8636 14471.2033 248.4713 -203212.1059 2649.3259 0.0000 0.0000 52082.4332 -109441.9046 299.3185 -161524.3378 -109077.9987 298.8130 -16.9357 5.2071 760006.6905 1.8830 1.9166 PRESSURE: 8000 529.832 116.471 59.1778 116.471 268.185 -40.0074 59.1776 -40.0086 511.894 GPRESSURE: 8000 506.531 111.079 46.1512 157.938 320.655 -107.798 153.869 -69.052 542.427 PRESSAVG: 8000 -82.2444 -33.9598 -49.9445 -33.9598 74.7623 2.22771 -49.9445 2.22769 13.0417 GPRESSAVG: 8000 -83.0358 -33.1788 -50.5298 -34.429 74.7636 1.43422 -47.7904 2.79818 13.6491 TIMING: 8000 CPU: 25.2321, 0.00312471/step Wall: 25.2321, 0.00312471/step, 4.33293 hours remaining, 224.843750 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: 8000 3993.5155 20446.2939 14524.7899 251.4205 -203704.1478 3100.4519 0.0000 0.0000 52210.8713 -109176.8049 300.0566 -161387.6762 -108818.4886 299.1249 436.6368 456.5377 760584.7422 1.8532 1.7923 PRESSURE: 8200 -247.465 163.218 -154.988 163.218 -47.2236 118.337 -154.988 118.338 28.8383 GPRESSURE: 8200 -157.801 130.567 -64.5541 -35.8366 -7.81153 161.882 -161.491 75.0989 -15.2788 PRESSAVG: 8200 -60.0418 -8.07372 -36.6514 -8.07376 9.76841 -18.824 -36.6514 -18.824 -14.7205 GPRESSAVG: 8200 -59.308 -7.70144 -34.3623 -6.96358 9.82813 -18.4268 -36.5128 -19.2911 -15.8099 TIMING: 8200 CPU: 25.8586, 0.00313254/step Wall: 25.8586, 0.00313254/step, 4.34361 hours remaining, 224.843750 MB of memory in use. ENERGY: 8200 4054.7755 20537.2024 14384.0809 255.5143 -203287.7341 2587.3798 0.0000 0.0000 52469.3906 -108999.3904 301.5423 -161468.7810 -108632.2325 300.0732 -88.6167 -60.2972 762785.7435 -21.6646 -21.7632 LDB: ============= START OF LOAD BALANCING ============== 38.3068 LDB: ============== END OF LOAD BALANCING =============== 38.307 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.3088 LDB: ============= START OF LOAD BALANCING ============== 38.6213 LDB: Largest compute 7076 load 0.035722 is 18.4% of average load 0.194004 LDB: Average compute 0.004366 is 2.3% of average load 0.194004 LDB: TIME 38.6247 LOAD: AVG 0.194004 MAX 0.209074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.965 MB LDB: TIME 38.6252 LOAD: AVG 0.194004 MAX 0.209074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.969 MB LDB: TIME 38.6253 LOAD: AVG 0.194004 MAX 0.209074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.969 MB LDB: ============== END OF LOAD BALANCING =============== 38.6274 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.632 PRESSURE: 8400 -212.532 -116.598 -151.335 -116.598 13.9529 78.4023 -151.334 78.4012 -376.615 GPRESSURE: 8400 -205.802 -134.64 -121.991 27.6245 73.225 123.015 -126.134 68.4526 -360.308 PRESSAVG: 8400 -54.2939 -24.079 -43.391 -24.079 46.227 -20.4154 -43.391 -20.4154 -9.14657 GPRESSAVG: 8400 -53.6201 -26.7515 -44.7398 -24.133 45.6881 -19.5359 -44.0634 -20.1443 -8.46943 TIMING: 8400 CPU: 26.4966, 0.00318968/step Wall: 26.4966, 0.00318968/step, 4.42267 hours remaining, 224.195312 MB of memory in use. ENERGY: 8400 3976.5796 20693.2862 14440.9017 253.6240 -203151.8723 2402.5018 0.0000 0.0000 51938.1063 -109446.8726 298.4890 -161384.9790 -109079.1305 299.7735 -191.7313 -164.2951 762706.2943 -5.7378 -5.4671 PRESSURE: 8600 60.746 118.085 115.617 118.086 -99.4901 -231.389 115.616 -231.388 408.352 GPRESSURE: 8600 51.0875 140.566 101.074 17.7567 45.2676 -262.441 167.439 -135.463 360.723 PRESSAVG: 8600 -8.16652 -52.5969 -27.0073 -52.597 -10.2721 -2.20936 -27.0073 -2.20937 -0.529797 GPRESSAVG: 8600 -8.3804 -51.1851 -26.5475 -52.3446 -9.4563 -2.62888 -26.4396 -3.8624 -1.11121 TIMING: 8600 CPU: 27.1227, 0.00313058/step Wall: 27.1227, 0.00313058/step, 4.34055 hours remaining, 224.335938 MB of memory in use. ENERGY: 8600 4004.5932 20585.3975 14434.5225 225.8468 -203723.9023 2937.8516 0.0000 0.0000 52014.2111 -109521.4795 298.9264 -161535.6907 -109167.0788 299.3786 123.2027 152.3593 760938.2802 -6.3228 -6.3160 PRESSURE: 8800 -521.312 -85.2903 98.5019 -85.2908 223.85 -91.46 98.502 -91.4604 4.52036 GPRESSURE: 8800 -422.655 -147.784 63.2088 -45.2991 230.171 -76.3718 -29.6344 -131.601 -10.6148 PRESSAVG: 8800 -29.2858 -6.70414 33.0358 -6.70416 -2.74905 19.6103 33.0357 19.6103 -1.06669 GPRESSAVG: 8800 -29.076 -8.5132 33.0483 -6.16472 -2.95806 18.6008 34.5402 22.0855 -0.833553 TIMING: 8800 CPU: 27.7498, 0.00313544/step Wall: 27.7498, 0.00313544/step, 4.34711 hours remaining, 224.328125 MB of memory in use. ENERGY: 8800 3992.0125 20467.4846 14488.3343 234.3738 -203237.9057 2522.8727 0.0000 0.0000 51998.7314 -109534.0964 298.8374 -161532.8278 -109176.5072 299.0409 -97.6474 -67.6997 760455.7740 -11.0339 -10.9559 PRESSURE: 9000 -275.334 -92.1328 76.4788 -92.1328 -178.628 238.406 76.4785 238.406 -57.9597 GPRESSURE: 9000 -214.362 -36.589 169.937 13.3317 -247.379 246.305 -125.969 221.171 23.8616 PRESSAVG: 9000 -11.9961 15.3111 30.2162 15.3112 67.3386 2.40402 30.2162 2.4041 5.57041 GPRESSAVG: 9000 -12.426 19.0026 31.422 14.7581 66.1169 2.19305 26.1017 3.1626 7.05547 TIMING: 9000 CPU: 28.3789, 0.00314559/step Wall: 28.3789, 0.00314559/step, 4.36101 hours remaining, 224.734375 MB of memory in use. ENERGY: 9000 3955.6994 20507.5241 14501.1774 230.9593 -203477.4597 2557.5588 0.0000 0.0000 51916.4829 -109808.0579 298.3647 -161724.5408 -109442.0598 299.1892 -170.6406 -145.9597 759692.2968 20.3043 20.2488 PRESSURE: 9200 -187.832 3.92283 -182.196 3.92331 -48.7179 110.559 -182.196 110.559 -28.7938 GPRESSURE: 9200 -58.9799 43.4279 -107.603 38.8097 -117.491 151.427 -257.303 151.249 -16.0022 PRESSAVG: 9200 -113.148 -10.8998 6.35923 -10.8999 83.0015 22.1705 6.35927 22.1705 -34.145 GPRESSAVG: 9200 -112.664 -11.1794 4.21923 -10.5674 82.7267 23.094 8.16215 21.8981 -34.8374 TIMING: 9200 CPU: 29.0038, 0.00312461/step Wall: 29.0038, 0.00312461/step, 4.33176 hours remaining, 224.734375 MB of memory in use. ENERGY: 9200 3964.3226 20585.8829 14516.2346 253.2103 -203384.0606 2367.8180 0.0000 0.0000 51886.7627 -109809.8296 298.1939 -161696.5922 -109443.2352 298.6673 -88.4478 -64.1575 758651.0347 -21.4306 -21.5914 PRESSURE: 9400 44.3014 -156.016 -15.4586 -156.016 74.5269 26.6087 -15.4588 26.6089 -32.3605 GPRESSURE: 9400 44.118 -273.442 9.3902 -201.618 92.3324 3.21253 8.29787 -48.1578 27.0512 PRESSAVG: 9400 6.72888 16.3413 65.9225 16.3413 4.6167 22.6805 65.9225 22.6805 18.1466 GPRESSAVG: 9400 6.91249 16.8329 65.8667 15.2037 4.96885 21.4925 67.6112 21.4057 17.0921 TIMING: 9400 CPU: 29.631, 0.00313604/step Wall: 29.631, 0.00313604/step, 4.34743 hours remaining, 224.734375 MB of memory in use. ENERGY: 9400 3955.0004 20525.8900 14494.5627 245.6256 -203620.2932 2608.6944 0.0000 0.0000 52022.0413 -109768.4788 298.9714 -161790.5201 -109417.6323 298.5695 28.8226 54.5006 759211.0769 9.8307 9.6578 PRESSURE: 9600 -166.47 -10.3718 81.5681 -10.3724 -131.771 -116.409 81.5686 -116.41 179.643 GPRESSURE: 9600 -169.867 -68.9964 87.5712 88.3844 -124.272 -142.854 -11.5256 -31.3579 268.665 PRESSAVG: 9600 -35.2563 -35.1807 35.0263 -35.1808 34.1351 -3.92338 35.0264 -3.92331 -9.94893 GPRESSAVG: 9600 -36.0643 -37.4505 35.5402 -32.8475 33.7239 -4.4782 33.3528 -3.4179 -9.02015 TIMING: 9600 CPU: 30.2559, 0.00312414/step Wall: 30.2559, 0.00312414/step, 4.33075 hours remaining, 224.718750 MB of memory in use. ENERGY: 9600 4010.6699 20517.0617 14500.7179 231.2704 -203330.2682 2569.7551 0.0000 0.0000 51893.3923 -109607.4008 298.2320 -161500.7931 -109257.1742 298.4915 -39.5328 -8.4911 760256.4744 -3.6900 -3.7869 PRESSURE: 9800 -272.282 233.342 -84.5574 233.342 -295.383 -132.034 -84.5564 -132.035 -51.6993 GPRESSURE: 9800 -282.915 252.682 -109.985 218.252 -247.317 -114.066 -47.9143 -197.758 -4.98053 PRESSAVG: 9800 -30.0255 5.17857 35.3936 5.17858 -6.30082 32.9942 35.3936 32.9942 15.9896 GPRESSAVG: 9800 -29.3312 3.82495 35.5069 4.37388 -6.24729 36.1684 36.2027 32.6173 15.3911 TIMING: 9800 CPU: 30.8876, 0.00315875/step Wall: 30.8876, 0.00315875/step, 4.37856 hours remaining, 224.718750 MB of memory in use. ENERGY: 9800 4033.6394 20457.1389 14502.1715 245.4693 -202875.6595 2437.7911 0.0000 0.0000 51626.2845 -109573.1647 296.6970 -161199.4492 -109215.3938 299.1553 -206.4549 -178.4040 762735.3177 -6.7789 -6.7291 PRESSURE: 10000 -217.832 116.152 144.253 116.152 323.078 141.248 144.254 141.248 253.245 GPRESSURE: 10000 -152.541 47.2632 131.372 108.537 321.662 160.115 16.4412 189.542 283.362 PRESSAVG: 10000 -14.6115 -0.535502 22.6487 -0.535533 5.25279 31.8303 22.6487 31.8305 27.3644 GPRESSAVG: 10000 -15.2771 -0.4934 22.8819 -0.183034 5.66836 30.9506 20.909 31.8313 28.1143 TIMING: 10000 CPU: 31.5168, 0.00314614/step Wall: 31.5168, 0.00314614/step, 4.3609 hours remaining, 224.707031 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: 10000 4035.8738 20339.0584 14478.9088 252.4708 -203587.0030 2627.0300 0.0000 0.0000 51974.3145 -109879.3466 298.6971 -161853.6611 -109512.6852 298.5964 119.4968 150.8278 760130.7920 6.0019 6.1685 PRESSURE: 10200 -146.195 90.3565 -259.498 90.3565 -368.628 -23.6905 -259.498 -23.69 20.9599 GPRESSURE: 10200 -82.6251 91.7599 -274.378 12.7526 -305.529 -6.13477 -204.596 -22.006 -18.0805 PRESSAVG: 10200 31.9796 -59.7124 25.4446 -59.7124 -56.1793 24.1852 25.4445 24.1851 15.6304 GPRESSAVG: 10200 32.7081 -58.1813 24.4056 -61.1023 -54.8175 22.6753 27.6592 25.794 13.8987 TIMING: 10200 CPU: 32.1417, 0.00312447/step Wall: 32.1417, 0.00312447/step, 4.33069 hours remaining, 224.757812 MB of memory in use. ENERGY: 10200 4015.8322 20489.1153 14489.4223 242.7562 -203255.7915 2397.6557 0.0000 0.0000 51889.0408 -109731.9689 298.2070 -161621.0097 -109371.8908 298.3618 -164.6209 -135.4116 760774.5968 -2.8564 -2.7369 PRESSURE: 10400 -38.1683 -67.2695 125.155 -67.2692 208.986 -76.1306 125.157 -76.1308 54.7216 GPRESSURE: 10400 -24.8187 -52.8922 202.41 -38.7271 216.385 37.5721 128.14 -115.142 129.057 PRESSAVG: 10400 45.3435 26.2519 -9.88028 26.2518 7.7173 15.9886 -9.88033 15.9886 -4.25422 GPRESSAVG: 10400 46.2459 24.5697 -8.25084 27.8586 5.50533 16.8027 -11.4991 14.5754 -3.37665 TIMING: 10400 CPU: 32.772, 0.00315116/step Wall: 32.772, 0.00315116/step, 4.3675 hours remaining, 224.769531 MB of memory in use. ENERGY: 10400 3967.2502 20532.7727 14477.8122 254.9323 -203961.8174 2854.2874 0.0000 0.0000 52180.9069 -109693.8558 299.8844 -161874.7627 -109332.5424 298.7955 75.1799 106.8746 760152.1349 16.2689 16.1248 PRESSURE: 10600 -32.2591 -66.5444 -6.70561 -66.5443 -82.789 -79.1722 -6.70564 -79.1712 350.353 GPRESSURE: 10600 -167.748 -62.9756 -40.2021 10.9139 119.8 4.24425 -46.9483 -89.8964 370.537 PRESSAVG: 10600 -15.0817 -43.1794 63.592 -43.1794 31.4672 72.9108 63.592 72.9108 -8.8162 GPRESSAVG: 10600 -14.9522 -43.2635 62.9046 -42.3587 32.0081 73.5727 65.2981 73.4169 -9.59081 TIMING: 10600 CPU: 33.3956, 0.00311811/step Wall: 33.3956, 0.00311811/step, 4.32152 hours remaining, 224.769531 MB of memory in use. ENERGY: 10600 4036.6828 20433.6018 14475.9072 230.2587 -203612.8528 2788.9526 0.0000 0.0000 52020.5942 -109626.8555 298.9631 -161647.4497 -109261.1882 298.9253 78.4350 107.5296 761889.4975 2.5231 2.4884 PRESSURE: 10800 -42.3686 -32.9693 9.31971 -32.9697 221.678 -125.427 9.31905 -125.426 -120.221 GPRESSURE: 10800 48.6284 -29.6254 0.695594 16.8309 183.981 19.0947 143.317 -11.4141 -89.36 PRESSAVG: 10800 -88.2893 -110.851 -11.307 -110.851 65.4934 60.6238 -11.3069 60.6238 12.9364 GPRESSAVG: 10800 -89.5084 -112.996 -11.3271 -110.676 65.7537 59.9349 -12.7477 61.9257 13.2768 TIMING: 10800 CPU: 34.0192, 0.00311804/step Wall: 34.0192, 0.00311804/step, 4.32125 hours remaining, 224.769531 MB of memory in use. ENERGY: 10800 3990.5564 20629.6064 14404.8730 252.1173 -203261.6096 2627.3320 0.0000 0.0000 51875.6467 -109481.4778 298.1301 -161357.1245 -109128.4071 299.4710 19.6961 47.7498 759675.8425 -3.2865 -3.4927 PRESSURE: 11000 -104.398 -348.123 -201.646 -348.123 -50.2912 186.525 -201.645 186.525 165.453 GPRESSURE: 11000 -86.7249 -291.624 -130.169 -377.648 46.1146 172.216 -112.087 121.592 128.308 PRESSAVG: 11000 12.2789 -37.6751 -34.7456 -37.675 19.8928 45.2828 -34.7456 45.2828 23.4673 GPRESSAVG: 11000 13.3599 -35.0119 -33.2259 -39.1427 19.2212 45.4902 -34.1067 45.3953 22.9612 TIMING: 11000 CPU: 34.641, 0.00310926/step Wall: 34.641, 0.00310926/step, 4.30892 hours remaining, 224.769531 MB of memory in use. ENERGY: 11000 4005.8875 20542.5309 14495.5055 242.9487 -203537.7886 2659.1051 0.0000 0.0000 52092.4007 -109499.4101 299.3757 -161591.8109 -109133.0175 299.7612 3.5882 29.2324 759808.4777 18.5463 18.5141 PRESSURE: 11200 182.072 61.8084 -182.308 61.808 0.942565 76.5508 -182.308 76.551 434.319 GPRESSURE: 11200 167.014 71.7803 -167.768 89.6676 54.3895 145.031 -179.91 41.6677 494.913 PRESSAVG: 11200 -0.313508 -60.0512 -22.4571 -60.0511 1.55572 33.8419 -22.457 33.8419 40.886 GPRESSAVG: 11200 -2.00477 -58.4198 -25.0279 -60.9256 2.92379 34.9968 -23.0924 29.7823 40.7329 TIMING: 11200 CPU: 35.2687, 0.00313845/step Wall: 35.2687, 0.00313845/step, 4.34919 hours remaining, 224.769531 MB of memory in use. ENERGY: 11200 3975.6260 20511.7067 14364.3773 263.1486 -203380.4076 2614.8342 0.0000 0.0000 52103.3496 -109547.3652 299.4387 -161650.7148 -109193.3920 298.9801 205.7780 238.7720 759853.1601 14.0427 13.8840 PRESSURE: 11400 105.121 83.0936 96.478 83.0925 -218.571 256.826 96.479 256.827 10.5713 GPRESSURE: 11400 181.172 30.0522 30.8359 -40.0654 -207.887 254.626 -34.4139 107.793 -1.43081 PRESSAVG: 11400 -5.94683 -6.63773 -13.2107 -6.63772 7.88738 33.8059 -13.2107 33.8059 -3.59108 GPRESSAVG: 11400 -5.51403 -8.96164 -11.141 -5.69512 7.10484 32.9942 -14.7184 36.1018 -2.48548 TIMING: 11400 CPU: 35.8974, 0.00314345/step Wall: 35.8974, 0.00314345/step, 4.35594 hours remaining, 224.781250 MB of memory in use. ENERGY: 11400 3961.3993 20522.1776 14480.7253 237.0831 -203743.7210 2904.1099 0.0000 0.0000 52039.5489 -109598.6769 299.0720 -161638.2258 -109239.2520 299.3198 -34.2928 -9.3817 760315.6917 -0.5502 -0.2982 PRESSURE: 11600 156.45 -42.4446 131.347 -42.445 -104.469 48.0642 131.346 48.0646 -138.049 GPRESSURE: 11600 182.058 -20.5311 90.1108 -153.424 -58.3242 48.0276 81.3374 -20.4788 -131.789 PRESSAVG: 11600 -3.85203 -61.2994 -11.8176 -61.2994 -6.45234 7.02099 -11.8176 7.02095 3.54812 GPRESSAVG: 11600 -3.31793 -60.2045 -13.8868 -61.7756 -6.29963 5.69343 -9.32949 6.47689 2.8622 TIMING: 11600 CPU: 36.5191, 0.00310862/step Wall: 36.5191, 0.00310862/step, 4.3075 hours remaining, 224.781250 MB of memory in use. ENERGY: 11600 3954.8345 20636.3226 14462.3754 240.1978 -203144.7666 2371.6729 0.0000 0.0000 51499.0161 -109980.3471 295.9656 -161479.3632 -109615.5573 298.4360 -28.6890 -2.6850 760525.7123 -2.2521 -2.2518 PRESSURE: 11800 -7.05689 -104.898 109.118 -104.897 96.81 -108.127 109.118 -108.127 6.20899 GPRESSURE: 11800 85.5437 -164.875 109.994 -74.3454 29.4583 -75.9924 -10.2668 -121.107 57.7295 PRESSAVG: 11800 -43.4124 -55.8208 -42.5513 -55.8208 30.2245 9.19712 -42.5514 9.19711 21.9492 GPRESSAVG: 11800 -44.0799 -54.1522 -40.52 -55.2124 30.3027 10.5756 -42.6898 9.94923 22.2555 TIMING: 11800 CPU: 37.1422, 0.00311525/step Wall: 37.1422, 0.00311525/step, 4.31653 hours remaining, 224.781250 MB of memory in use. ENERGY: 11800 3908.1322 20479.9813 14497.5820 227.3354 -203051.4367 2435.4481 0.0000 0.0000 51717.9382 -109785.0197 297.2237 -161502.9579 -109423.0570 298.1247 31.9874 57.5772 762148.4523 2.9204 2.8261 PRESSURE: 12000 -128.089 -82.1564 -24.8899 -82.1562 -77.8055 -242.538 -24.8898 -242.537 -119.362 GPRESSURE: 12000 -3.34141 -140.027 -20.5043 -113.116 -109.96 -174.095 -53.9891 -45.8796 -131.244 PRESSAVG: 12000 21.9314 -0.524614 -8.84588 -0.524645 -8.14466 24.8096 -8.84579 24.8095 -11.542 GPRESSAVG: 12000 21.4181 -2.44397 -10.4878 -1.84012 -8.49414 24.8613 -9.62895 24.891 -11.2673 TIMING: 12000 CPU: 37.7647, 0.00311276/step Wall: 37.7647, 0.00311276/step, 4.31291 hours remaining, 224.781250 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: 12000 3963.6186 20438.7067 14464.7253 265.2394 -203278.2076 2632.2876 0.0000 0.0000 52088.6634 -109424.9665 299.3543 -161513.6299 -109059.0657 298.3755 -108.4189 -81.5152 761864.7414 0.7482 0.5522 PRESSURE: 12200 612.738 -145.786 -271.16 -145.785 11.6509 27.9696 -271.161 27.97 232.822 GPRESSURE: 12200 496.117 -227.783 -224.758 -31.6461 116.966 -41.2942 -197.949 73.5877 328.902 PRESSAVG: 12200 17.4378 -18.6997 -13.1453 -18.6996 -45.2089 -17.5188 -13.1453 -17.5187 6.68556 GPRESSAVG: 12200 16.6539 -17.909 -11.2919 -19.1519 -44.3145 -18.7562 -14.116 -17.4589 6.33985 TIMING: 12200 CPU: 38.3916, 0.00313415/step Wall: 38.3916, 0.00313415/step, 4.34237 hours remaining, 224.789062 MB of memory in use. ENERGY: 12200 3916.0158 20638.5563 14422.1432 250.7810 -203362.5453 2776.2216 0.0000 0.0000 52110.3697 -109248.4577 299.4790 -161358.8274 -108899.4306 299.1036 285.7369 313.9951 762735.4697 -7.0285 -7.1069 LDB: ============= START OF LOAD BALANCING ============== 50.8415 LDB: ============== END OF LOAD BALANCING =============== 50.8417 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.8433 LDB: ============= START OF LOAD BALANCING ============== 51.156 LDB: Largest compute 7076 load 0.035805 is 18.5% of average load 0.193995 LDB: Average compute 0.004387 is 2.3% of average load 0.193995 LDB: TIME 51.1595 LOAD: AVG 0.193995 MAX 0.208657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.043 MB LDB: TIME 51.1599 LOAD: AVG 0.193995 MAX 0.208657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.18 MB LDB: TIME 51.16 LOAD: AVG 0.193995 MAX 0.208657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.18 MB LDB: ============== END OF LOAD BALANCING =============== 51.162 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.1666 PRESSURE: 12400 -311.324 -164.653 -175.648 -164.653 253.081 311.744 -175.648 311.743 75.9221 GPRESSURE: 12400 -228.849 -45.2522 -163.423 -29.5037 296.474 322.179 -39.6513 236.248 32.1193 PRESSAVG: 12400 7.56473 13.8579 -24.8684 13.8579 25.206 53.1063 -24.8683 53.1063 -4.35432 GPRESSAVG: 12400 8.43603 14.0305 -26.6012 14.5596 23.1427 54.3272 -22.7785 53.803 -4.32125 TIMING: 12400 CPU: 39.0307, 0.00319581/step Wall: 39.0307, 0.00319581/step, 4.42762 hours remaining, 223.789062 MB of memory in use. ENERGY: 12400 3928.7384 20537.3981 14414.7757 242.1596 -203315.7472 2718.9910 0.0000 0.0000 52257.6167 -109216.0677 300.3252 -161473.6844 -108842.6400 299.4503 5.8931 33.2481 761485.7067 9.4721 9.0858 PRESSURE: 12600 140.219 -25.2862 159.636 -25.2864 67.019 -157.495 159.636 -157.495 340.783 GPRESSURE: 12600 249.958 -52.8297 131.342 2.00536 40.7281 -175.372 234.583 -118.757 343.823 PRESSAVG: 12600 -3.03232 -16.6856 -4.30029 -16.6856 -34.8681 4.88567 -4.30021 4.88566 -14.4469 GPRESSAVG: 12600 -1.80327 -18.7426 -3.48807 -16.0607 -36.0977 5.86811 -6.24458 4.35558 -14.8735 TIMING: 12600 CPU: 39.6545, 0.003119/step Wall: 39.6545, 0.003119/step, 4.32103 hours remaining, 223.800781 MB of memory in use. ENERGY: 12600 4042.3434 20454.3926 14489.0445 267.0995 -203228.2076 2724.7910 0.0000 0.0000 52126.3944 -109124.1423 299.5711 -161250.5366 -108764.0367 299.8548 182.6738 211.5032 762010.9862 -17.4491 -17.5915 PRESSURE: 12800 232.407 181.714 310.292 181.714 -205.36 70.1811 310.292 70.1811 -33.9025 GPRESSURE: 12800 188.147 208.461 270.046 190.81 -81.42 20.3995 311.495 141.519 -14.9793 PRESSAVG: 12800 29.5312 -18.7985 1.97301 -18.7985 -13.7549 10.1505 1.97302 10.1505 -34.3142 GPRESSAVG: 12800 28.126 -16.8352 1.20735 -18.9899 -11.9193 8.7169 3.22397 10.4772 -34.9531 TIMING: 12800 CPU: 40.2804, 0.00312957/step Wall: 40.2804, 0.00312957/step, 4.3355 hours remaining, 223.800781 MB of memory in use. ENERGY: 12800 4021.0885 20681.8191 14430.7706 252.6882 -203199.1784 2529.0891 0.0000 0.0000 52031.8085 -109251.9144 299.0275 -161283.7229 -108891.0761 299.5730 -2.2853 30.5826 761894.8474 -6.1793 -6.2488 PRESSURE: 13000 -107.354 133.285 347.755 133.285 53.7158 68.3527 347.755 68.3528 -390.379 GPRESSURE: 13000 10.9527 -18.5114 204.255 54.057 73.7 126.799 301.84 -28.6803 -446.617 PRESSAVG: 13000 11.0087 13.0959 26.0129 13.096 39.5804 0.600558 26.0129 0.600631 22.1765 GPRESSAVG: 13000 10.5288 12.2775 26.4037 13.1567 39.0772 -0.448433 25.5128 2.73486 23.0265 TIMING: 13000 CPU: 40.9033, 0.00311423/step Wall: 40.9033, 0.00311423/step, 4.31407 hours remaining, 223.800781 MB of memory in use. ENERGY: 13000 4095.1254 20506.6030 14516.0440 246.6608 -203440.7270 2724.2399 0.0000 0.0000 51936.0238 -109416.0300 298.4770 -161352.0539 -109051.2914 299.5111 -148.0056 -120.6549 761113.9400 24.2552 24.2108 PRESSURE: 13200 445.006 130.802 69.2225 130.803 -186.643 -169.087 69.2222 -169.087 -26.3955 GPRESSURE: 13200 403.379 23.9838 3.33551 137.828 -121.102 -205.511 66.3827 -206.924 45.238 PRESSAVG: 13200 -41.5161 73.2058 28.7055 73.2058 34.7925 -26.6832 28.7056 -26.6831 -29.7822 GPRESSAVG: 13200 -40.9611 74.484 27.3092 73.1735 34.4528 -24.0144 27.7281 -30.2135 -29.9051 TIMING: 13200 CPU: 41.5294, 0.00313041/step Wall: 41.5294, 0.00313041/step, 4.33632 hours remaining, 223.800781 MB of memory in use. ENERGY: 13200 4008.9098 20486.5835 14466.3016 228.2072 -203516.3139 2728.8046 0.0000 0.0000 52070.6264 -109526.8809 299.2506 -161597.5073 -109162.8198 298.6638 77.3225 109.1716 761959.1141 -12.1686 -12.1378 PRESSURE: 13400 -455.409 122.115 -169.48 122.115 -442.117 144.46 -169.48 144.461 55.1053 GPRESSURE: 13400 -415.715 71.3089 -128.829 43.2787 -383.395 118.466 -83.8181 145.184 49.8876 PRESSAVG: 13400 -86.8172 -5.77415 26.7592 -5.77416 78.4707 12.781 26.7591 12.781 10.4339 GPRESSAVG: 13400 -87.7689 -7.08363 26.5259 -8.61117 77.5986 11.2755 29.3135 13.6291 11.8162 TIMING: 13400 CPU: 42.1552, 0.00312915/step Wall: 42.1552, 0.00312915/step, 4.3344 hours remaining, 223.800781 MB of memory in use. ENERGY: 13400 4014.4449 20440.2120 14465.3974 269.3130 -203026.0797 2358.5466 0.0000 0.0000 51979.9363 -109498.2294 298.7294 -161478.1657 -109129.6999 299.2364 -280.8070 -249.7410 763245.6815 0.6958 0.5486 PRESSURE: 13600 242.25 -12.4802 1.90273 -12.4803 -30.558 261.573 1.90295 261.573 414.319 GPRESSURE: 13600 313.748 119.798 -2.23045 -140.483 21.3438 285.771 -24.0371 94.5348 364.63 PRESSAVG: 13600 -44.0402 -37.751 19.0055 -37.751 18.9747 12.0593 19.0055 12.0593 12.3318 GPRESSAVG: 13600 -44.1023 -35.2757 21.07 -37.7971 19.7754 12.1446 17.2732 12.3261 11.3293 TIMING: 13600 CPU: 42.7797, 0.00312259/step Wall: 42.7797, 0.00312259/step, 4.32513 hours remaining, 223.800781 MB of memory in use. ENERGY: 13600 3998.5324 20496.2370 14531.0244 260.3086 -203408.6887 2825.4204 0.0000 0.0000 52023.0669 -109274.0989 298.9773 -161297.1659 -108907.7496 298.9115 208.6704 233.2408 761740.0140 -4.2446 -4.3325 PRESSURE: 13800 -1.91289 49.2704 52.943 49.2701 179.819 251.73 52.9431 251.729 -333.672 GPRESSURE: 13800 -6.85568 -48.4874 79.9544 -12.1747 198.36 217.169 151.109 350.295 -272.045 PRESSAVG: 13800 -19.3284 -1.82629 -20.9993 -1.82626 15.7499 -26.441 -20.9993 -26.441 19.8497 GPRESSAVG: 13800 -19.528 -3.46541 -23.4923 -0.616317 15.6734 -27.9677 -18.0104 -26.8743 19.9869 TIMING: 13800 CPU: 43.4047, 0.003125/step Wall: 43.4047, 0.003125/step, 4.32831 hours remaining, 223.804688 MB of memory in use. ENERGY: 13800 4032.7081 20588.6878 14509.1361 253.4567 -203580.3494 2817.7653 0.0000 0.0000 51940.3611 -109438.2342 298.5020 -161378.5954 -109082.3543 299.2787 -51.9219 -26.8470 760967.9932 5.4237 5.3774 PRESSURE: 14000 -68.5364 -154.153 -143.788 -154.153 267.065 -82.2128 -143.788 -82.2113 38.0294 GPRESSURE: 14000 -26.7214 -135.404 -80.6888 -225.018 309.829 -116.412 -204.559 -16.1789 72.5403 PRESSAVG: 14000 -87.9195 -26.177 -30.0178 -26.1769 71.7326 -7.28766 -30.0178 -7.28764 -20.6713 GPRESSAVG: 14000 -87.5434 -26.4595 -29.4717 -26.8984 72.1295 -5.37653 -29.9893 -6.4124 -20.3948 TIMING: 14000 CPU: 44.0318, 0.00313544/step Wall: 44.0318, 0.00313544/step, 4.34259 hours remaining, 223.800781 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: 14000 3950.8160 20485.5836 14496.0839 249.6520 -203459.6549 2767.9571 0.0000 0.0000 52097.1111 -109412.4512 299.4028 -161509.5622 -109047.3851 298.9705 78.8526 118.5493 761097.4188 -12.2861 -11.9362 PRESSURE: 14200 -231.634 -108.312 -74.1074 -108.31 -133.455 195.656 -74.1081 195.655 -326.657 GPRESSURE: 14200 -238.23 -205.336 -45.5221 -66.3735 -105.247 165.362 -126.947 187.481 -271.704 PRESSAVG: 14200 47.8684 -10.772 39.3389 -10.7719 -7.26658 -20.3624 39.3389 -20.3624 -18.0802 GPRESSAVG: 14200 46.6197 -10.6514 39.2589 -8.27975 -7.44328 -20.9564 37.3111 -20.1494 -16.3517 TIMING: 14200 CPU: 44.6528, 0.00310509/step Wall: 44.6528, 0.00310509/step, 4.30038 hours remaining, 223.800781 MB of memory in use. ENERGY: 14200 4026.0959 20698.9907 14487.3627 251.6030 -203278.9544 2368.0306 0.0000 0.0000 51702.4588 -109744.4127 297.1347 -161446.8715 -109390.5811 299.1586 -230.5821 -205.0602 761257.6918 7.5072 7.6083 PRESSURE: 14400 -52.6346 -62.5129 22.9793 -62.5132 353.172 14.093 22.9782 14.0928 -23.9221 GPRESSURE: 14400 88.1736 -98.0283 -20.6478 -36.2231 286.626 -5.39937 215.047 -72.7588 -36.8207 PRESSAVG: 14400 -24.1985 4.86732 20.4367 4.86733 -6.08514 -44.636 20.4366 -44.6361 10.2077 GPRESSAVG: 14400 -22.9996 5.14387 20.8802 3.43864 -5.48764 -42.926 22.2926 -44.6345 8.96675 TIMING: 14400 CPU: 45.2758, 0.00311506/step Wall: 45.2758, 0.00311506/step, 4.31401 hours remaining, 223.800781 MB of memory in use. ENERGY: 14400 4010.9237 20412.9771 14452.5405 244.4014 -203320.3972 2623.5229 0.0000 0.0000 51780.4095 -109795.6221 297.5827 -161576.0316 -109425.0700 298.3090 92.2051 112.6597 761734.1804 -6.6920 -6.5068 PRESSURE: 14600 -470.274 -199.488 -39.4111 -199.489 313.075 -119.447 -39.4117 -119.445 -280.419 GPRESSURE: 14600 -305.049 -294.903 -5.09715 -89.3353 251.222 -148.409 11.602 -10.0834 -277.826 PRESSAVG: 14600 -34.2958 -13.0515 41.5785 -13.0515 -10.1536 -76.1421 41.5785 -76.1421 9.90506 GPRESSAVG: 14600 -33.5477 -11.8827 41.1804 -13.0688 -11.0557 -77.7814 39.2658 -75.9927 10.496 TIMING: 14600 CPU: 45.9028, 0.00313471/step Wall: 45.9028, 0.00313471/step, 4.34106 hours remaining, 223.800781 MB of memory in use. ENERGY: 14600 4054.1268 20381.7131 14447.5108 250.1035 -203602.6966 2777.1735 0.0000 0.0000 52154.0321 -109538.0368 299.7299 -161692.0689 -109173.2005 298.1112 -145.8726 -110.5507 761399.3796 -11.5147 -11.3691 PRESSURE: 14800 -168.606 15.5434 221.598 15.5437 -42.9052 45.2791 221.598 45.28 9.39953 GPRESSURE: 14800 -110.423 54.3156 204.339 -66.1078 8.16228 37.8797 81.2704 -20.6581 -18.3299 PRESSAVG: 14800 -6.0403 -32.4463 10.2644 -32.4462 6.64013 5.51124 10.2644 5.5112 -28.7133 GPRESSAVG: 14800 -4.69829 -34.2982 10.0554 -32.4215 6.09536 6.05511 9.26987 4.67162 -29.3574 TIMING: 14800 CPU: 46.5283, 0.00312775/step Wall: 46.5283, 0.00312775/step, 4.33124 hours remaining, 223.800781 MB of memory in use. ENERGY: 14800 4015.2207 20551.3492 14526.3687 273.3359 -203423.1745 2405.6709 0.0000 0.0000 52205.0573 -109446.1718 300.0232 -161651.2292 -109089.4556 299.1886 -67.3706 -40.1968 761247.8996 -9.3711 -9.3201 PRESSURE: 15000 116.244 35.7428 128.552 35.7417 -234.783 21.3174 128.552 21.3175 -303.562 GPRESSURE: 15000 142.985 23.406 186.301 92.8421 -184.283 -25.7965 -101.831 63.771 -289.948 PRESSAVG: 15000 -39.2215 -56.7857 8.08879 -56.7857 62.8119 13.2383 8.08874 13.2383 -1.35787 GPRESSAVG: 15000 -41.3904 -55.272 8.48813 -55.7935 64.6504 15.0232 8.45388 11.1476 -1.08586 TIMING: 15000 CPU: 47.1574, 0.00314539/step Wall: 47.1574, 0.00314539/step, 4.35549 hours remaining, 224.003906 MB of memory in use. ENERGY: 15000 3966.5122 20734.6306 14461.2386 252.0864 -203314.8266 2480.1244 0.0000 0.0000 51943.4686 -109476.7659 298.5198 -161420.2345 -109118.9698 299.2362 -140.7001 -110.4152 761667.9231 7.4108 7.3914 PRESSURE: 15200 204.266 -117.039 90.0426 -117.04 172.217 95.4727 90.0418 95.4729 59.1207 GPRESSURE: 15200 259.842 -261.081 35.0611 -153.143 187.656 22.3554 135.598 212.601 87.3386 PRESSAVG: 15200 -48.0276 -34.6294 26.6496 -34.6294 47.2037 19.0032 26.6496 19.0032 -3.52335 GPRESSAVG: 15200 -46.9732 -35.0643 26.649 -34.3635 46.8066 17.6333 28.0061 19.5089 -3.53535 TIMING: 15200 CPU: 47.7877, 0.00315137/step Wall: 47.7877, 0.00315137/step, 4.36359 hours remaining, 224.003906 MB of memory in use. ENERGY: 15200 3957.2553 20515.7692 14470.8421 255.5149 -203385.4483 2660.4560 0.0000 0.0000 52185.6721 -109339.9387 299.9118 -161525.6107 -108969.6737 299.1774 145.2015 178.2790 761266.5683 -1.4491 -1.2340 PRESSURE: 15400 -49.3103 -116.884 158.601 -116.885 200.487 -100.628 158.601 -100.627 336.778 GPRESSURE: 15400 0.383707 -36.2115 231.74 -85.4541 132.57 -94.5344 43.278 -193.182 399.412 PRESSAVG: 15400 -1.39361 -59.3632 37.6554 -59.3631 -15.3615 -9.3186 37.6554 -9.31868 -0.765987 GPRESSAVG: 15400 -0.385605 -58.9276 39.2034 -60.7386 -16.5921 -10.975 37.5353 -8.89672 -0.971026 TIMING: 15400 CPU: 48.4155, 0.00313929/step Wall: 48.4155, 0.00313929/step, 4.3467 hours remaining, 224.003906 MB of memory in use. ENERGY: 15400 3929.5206 20625.8050 14468.8183 264.5618 -203584.3694 2602.9489 0.0000 0.0000 52117.4988 -109575.2159 299.5200 -161692.7148 -109216.5937 299.4325 162.6516 177.4552 760654.4203 -5.8404 -5.9829 PRESSURE: 15600 -6.52543 -24.7375 53.7639 -24.7372 110.044 -31.7458 53.7653 -31.7453 119.229 GPRESSURE: 15600 111.641 -14.3293 14.794 -48.6346 131.427 15.5556 27.1302 -1.34256 86.8056 PRESSAVG: 15600 67.0056 10.8511 -0.0885537 10.8511 -56.8786 20.1612 -0.0885371 20.1612 10.8183 GPRESSAVG: 15600 66.9211 7.07359 -1.58339 12.5728 -55.2775 22.5306 0.672747 20.1922 9.95256 TIMING: 15600 CPU: 49.0401, 0.00312273/step Wall: 49.0401, 0.00312273/step, 4.32359 hours remaining, 224.003906 MB of memory in use. ENERGY: 15600 3956.0398 20549.7232 14542.2908 231.3739 -203246.2403 2315.9399 0.0000 0.0000 52042.8387 -109608.0339 299.0909 -161650.8726 -109242.6911 298.6841 74.2491 109.9579 760175.1443 6.9818 7.1987 PRESSURE: 15800 -305.446 133.15 23.7365 133.15 -215.497 -168.73 23.7365 -168.73 117.468 GPRESSURE: 15800 -196.87 188.187 -0.951717 113.087 -216.058 -216.416 32.0808 -95.6465 98.6021 PRESSAVG: 15800 -6.94741 -25.9393 4.80955 -25.9393 -14.6016 6.05384 4.80956 6.05389 -7.47858 GPRESSAVG: 15800 -7.38178 -24.0611 5.2197 -26.751 -15.1578 5.07923 3.85065 4.74111 -6.60728 TIMING: 15800 CPU: 49.6674, 0.00313643/step Wall: 49.6674, 0.00313643/step, 4.34239 hours remaining, 224.050781 MB of memory in use. ENERGY: 15800 4018.0982 20410.2624 14583.4381 244.6742 -203906.8769 2933.0401 0.0000 0.0000 52044.6042 -109672.7597 299.1011 -161717.3639 -109307.1915 298.5992 -134.4916 -104.7751 759927.4780 -9.6759 -9.7156 PRESSURE: 16000 174.364 -47.2392 -206.153 -47.2396 496.688 -89.7191 -206.154 -89.7187 -136.452 GPRESSURE: 16000 236.905 -5.88625 -260.587 6.72078 525.327 -40.0204 -28.8017 2.31625 -127.181 PRESSAVG: 16000 -15.1633 -20.6285 21.202 -20.6286 21.9143 -15.5606 21.202 -15.5606 9.70906 GPRESSAVG: 16000 -14.1792 -20.4905 21.6064 -19.5639 21.6078 -14.9782 22.2537 -12.6105 9.00733 TIMING: 16000 CPU: 50.2965, 0.00314575/step Wall: 50.2965, 0.00314575/step, 4.35512 hours remaining, 224.050781 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: 16000 3900.8964 20415.0520 14503.8442 250.7985 -203693.3590 2727.8571 0.0000 0.0000 52163.3348 -109731.5760 299.7834 -161894.9108 -109367.1580 299.0460 178.2000 211.6836 759896.7872 5.4867 5.4786 PRESSURE: 16200 108.157 -92.6722 107.752 -92.6707 105.048 256.88 107.753 256.88 378.045 GPRESSURE: 16200 168.327 -176.166 132.485 -110.624 122.819 224.457 143.92 174.31 391.96 PRESSAVG: 16200 -22.8482 -44.3621 50.1726 -44.3621 27.2671 -19.742 50.1726 -19.7421 3.32234 GPRESSAVG: 16200 -23.1893 -44.5916 49.6181 -45.7304 27.4286 -21.0427 50.243 -19.0991 3.24839 TIMING: 16200 CPU: 50.9225, 0.00312984/step Wall: 50.9225, 0.00312984/step, 4.33292 hours remaining, 224.050781 MB of memory in use. ENERGY: 16200 3952.9108 20535.3719 14466.8833 229.2821 -203624.6965 2724.2944 0.0000 0.0000 52119.0307 -109596.9232 299.5288 -161715.9539 -109232.5332 298.4680 197.0835 227.7018 763294.7849 2.5804 2.4959 LDB: ============= START OF LOAD BALANCING ============== 63.3757 LDB: ============== END OF LOAD BALANCING =============== 63.3759 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.3775 LDB: ============= START OF LOAD BALANCING ============== 63.6962 LDB: Largest compute 7059 load 0.037454 is 19.3% of average load 0.194259 LDB: Average compute 0.004373 is 2.3% of average load 0.194259 LDB: TIME 63.6997 LOAD: AVG 0.194259 MAX 0.208965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.613 MB LDB: TIME 63.7002 LOAD: AVG 0.194259 MAX 0.208965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.82 MB LDB: TIME 63.7003 LOAD: AVG 0.194259 MAX 0.208965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.82 MB LDB: ============== END OF LOAD BALANCING =============== 63.7025 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.7072 PRESSURE: 16400 -170.267 -25.872 95.0755 -25.8724 136.809 163.347 95.0753 163.348 -210.241 GPRESSURE: 16400 -36.8754 -106.886 50.6182 -80.048 112.883 90.1706 185.561 270.149 -240.408 PRESSAVG: 16400 21.877 -30.983 15.5163 -30.983 -39.7236 41.429 15.5163 41.4291 -2.50528 GPRESSAVG: 16400 21.5717 -31.4484 16.2185 -30.6062 -39.5023 41.912 15.1264 39.0624 -1.8156 TIMING: 16400 CPU: 51.5718, 0.00324643/step Wall: 51.5718, 0.00324643/step, 4.49414 hours remaining, 225.582031 MB of memory in use. ENERGY: 16400 4006.4457 20563.5448 14476.9030 242.7473 -203198.8662 2501.6401 0.0000 0.0000 52090.3846 -109317.2007 299.3642 -161407.5853 -108946.1759 298.7888 -81.2333 -54.8002 762784.0275 -6.7840 -6.5821 PRESSURE: 16600 79.9736 -272.948 36.1254 -272.948 230.891 -96.5057 36.1255 -96.5055 291.096 GPRESSURE: 16600 40.9911 -314.65 28.4179 -235.617 338.553 -78.3843 -77.4119 -26.9227 300.53 PRESSAVG: 16600 21.8715 -32.4521 52.499 -32.4522 -28.8321 -23.9731 52.499 -23.9731 -12.9573 GPRESSAVG: 16600 20.8883 -31.6253 52.096 -33.3585 -28.2875 -25.029 51.1728 -22.4574 -12.8462 TIMING: 16600 CPU: 52.206, 0.00317125/step Wall: 52.206, 0.00317125/step, 4.3899 hours remaining, 226.078125 MB of memory in use. ENERGY: 16600 3984.3297 20667.8374 14466.3668 244.7763 -203373.0138 2568.3987 0.0000 0.0000 52043.1970 -109398.1080 299.0930 -161441.3050 -109038.9293 299.6862 200.6536 226.6915 762219.4923 -6.6393 -6.7485 PRESSURE: 16800 -102.131 -69.296 -160.343 -69.296 -256.639 81.7916 -160.344 81.7913 136.238 GPRESSURE: 16800 -67.9627 -39.9859 -137.479 11.2562 -206.565 101.143 -49.6143 10.1341 155.168 PRESSAVG: 16800 1.24306 10.7378 11.1901 10.7377 32.7236 31.1549 11.1901 31.1549 8.25724 GPRESSAVG: 16800 3.13572 10.6187 10.7966 11.4419 30.8977 32.4029 13.422 28.7579 8.26027 TIMING: 16800 CPU: 52.8354, 0.00314683/step Wall: 52.8354, 0.00314683/step, 4.35592 hours remaining, 226.191406 MB of memory in use. ENERGY: 16800 4070.6641 20647.1561 14567.4534 250.3022 -202946.0226 2323.0090 0.0000 0.0000 51781.4696 -109305.9683 297.5888 -161087.4379 -108958.4684 299.2661 -74.1774 -39.7864 761273.7806 14.0746 14.0979 PRESSURE: 17000 252.026 177.955 -89.0869 177.955 -267.623 -18.4732 -89.0862 -18.4736 -273.489 GPRESSURE: 17000 292.515 196.617 -115.008 162.793 -252.213 23.3907 -52.8734 39.6084 -243.525 PRESSAVG: 17000 11.9512 52.7333 2.7408 52.7333 -27.3604 58.9066 2.74082 58.9065 -17.5738 GPRESSAVG: 17000 10.329 51.9549 2.17936 51.1408 -26.3776 59.0604 1.97574 60.2357 -16.7952 TIMING: 17000 CPU: 53.4624, 0.00313486/step Wall: 53.4624, 0.00313486/step, 4.33917 hours remaining, 226.207031 MB of memory in use. ENERGY: 17000 3979.9026 20585.4635 14506.7114 249.3498 -203073.5410 2451.7131 0.0000 0.0000 51904.7439 -109395.6566 298.2973 -161300.4006 -109034.5920 299.2654 -96.3620 -67.7412 760780.1530 -10.9943 -10.9480 PRESSURE: 17200 27.0935 -2.34854 129.501 -2.34813 86.2691 144.967 129.501 144.967 270.656 GPRESSURE: 17200 156.147 60.2377 111.741 16.1071 44.8453 116.208 117.778 79.3507 265.818 PRESSAVG: 17200 -36.1422 14.5186 -17.1255 14.5187 -13.0175 -18.2633 -17.1254 -18.2633 12.0653 GPRESSAVG: 17200 -34.1226 16.6228 -16.6329 15.1089 -14.3638 -18.517 -17.7494 -18.286 10.8193 TIMING: 17200 CPU: 54.0909, 0.00314281/step Wall: 54.0909, 0.00314281/step, 4.34999 hours remaining, 226.207031 MB of memory in use. ENERGY: 17200 4107.6944 20469.5974 14538.9448 244.1767 -203396.9969 2763.4433 0.0000 0.0000 52137.2978 -109135.8425 299.6338 -161273.1403 -108781.1368 299.8526 128.0063 155.6036 759913.9095 -12.3648 -12.5557 PRESSURE: 17400 -194.299 7.96179 -0.445998 7.96258 363.562 45.8023 -0.446909 45.8028 413.863 GPRESSURE: 17400 -131.935 -29.6892 19.8501 -27.9844 408.387 64.0244 63.9667 48.2768 401.285 PRESSAVG: 17400 -33.6857 40.4354 73.0835 40.4354 43.8347 -62.1755 73.0835 -62.1756 -11.4978 GPRESSAVG: 17400 -34.2117 40.4628 73.6809 39.2739 43.9507 -60.0217 72.9882 -64.058 -11.3098 TIMING: 17400 CPU: 54.7189, 0.00313964/step Wall: 54.7189, 0.00313964/step, 4.34544 hours remaining, 226.207031 MB of memory in use. ENERGY: 17400 4065.0821 20629.8072 14581.9825 236.5937 -203314.6989 2834.6248 0.0000 0.0000 51956.7786 -109009.8301 298.5963 -160966.6087 -108657.8604 299.7342 194.3753 225.9121 761157.7282 -0.4496 -0.5236 PRESSURE: 17600 -102.416 99.9657 -73.5703 99.9666 70.7536 -23.7465 -73.5697 -23.7461 5.2392 GPRESSURE: 17600 -177.986 137.974 -16.091 221.686 134.009 76.0174 -10.643 -13.8743 87.1624 PRESSAVG: 17600 -4.6807 3.24086 9.66982 3.24083 -13.6439 5.46012 9.6698 5.46009 4.88432 GPRESSAVG: 17600 -6.46212 3.4616 9.18669 2.59017 -13.1778 4.83961 7.90117 6.22334 5.6223 TIMING: 17600 CPU: 55.3513, 0.00316199/step Wall: 55.3513, 0.00316199/step, 4.37619 hours remaining, 226.207031 MB of memory in use. ENERGY: 17600 3959.7675 20500.8769 14543.2582 255.3666 -203179.1380 2447.3463 0.0000 0.0000 52271.2193 -109201.3032 300.4034 -161472.5225 -108837.5330 299.8522 -8.8077 14.3954 760946.3253 -4.4801 -4.6725 PRESSURE: 17800 -109.873 -227.055 47.2051 -227.055 -14.2972 -75.9219 47.2046 -75.9222 -65.9592 GPRESSURE: 17800 -53.794 -216.114 10.0824 -104.644 -14.5161 -32.0377 132.73 -67.505 -34.8747 PRESSAVG: 17800 -58.2874 -8.68138 11.0182 -8.68144 62.4921 -65.2917 11.0182 -65.2918 10.7313 GPRESSAVG: 17800 -57.2792 -8.95118 9.74204 -7.36691 61.2154 -65.5279 14.9474 -65.8015 10.4127 TIMING: 17800 CPU: 55.9776, 0.00313168/step Wall: 55.9776, 0.00313168/step, 4.33407 hours remaining, 226.207031 MB of memory in use. ENERGY: 17800 4021.5216 20509.7030 14566.3574 240.6862 -203273.1759 2693.0403 0.0000 0.0000 52129.4753 -109112.3920 299.5888 -161241.8672 -108742.2163 300.0308 -63.3766 -34.3949 762386.9945 4.9786 4.7830 PRESSURE: 18000 -166 -59.274 -152.767 -59.2736 -97.5593 -187.922 -152.766 -187.923 246.781 GPRESSURE: 18000 -173.327 31.3727 -98.1772 -126.475 -70.5212 -122.991 -106.835 -111.774 312.346 PRESSAVG: 18000 4.94875 -58.6984 40.7917 -58.6984 -17.1857 -59.4399 40.7917 -59.4399 -6.73708 GPRESSAVG: 18000 3.26559 -56.8456 42.2559 -60.1107 -15.428 -60.5192 38.8516 -58.4634 -6.7419 TIMING: 18000 CPU: 56.6035, 0.00312933/step Wall: 56.6035, 0.00312933/step, 4.33065 hours remaining, 226.207031 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: 18000 3929.2558 20512.6013 14507.6057 251.2137 -202960.8764 2343.4571 0.0000 0.0000 52304.1700 -109112.5727 300.5928 -161416.7428 -108747.6815 300.1949 -5.5928 22.8327 760755.6370 -6.3247 -6.3014 PRESSURE: 18200 304.367 -226.824 71.2671 -226.823 344.333 270.509 71.2681 270.508 276.634 GPRESSURE: 18200 375.314 -216.607 142.851 -193.745 363.366 251.435 45.0194 125.126 281.522 PRESSAVG: 18200 -42.2161 -30.4735 69.0595 -30.4735 16.8818 53.98 69.0596 53.98 20.0806 GPRESSAVG: 18200 -41.7998 -33.4201 68.8886 -29.4056 17.212 55.4886 67.8831 52.9771 19.9294 TIMING: 18200 CPU: 57.2255, 0.00311024/step Wall: 57.2255, 0.00311024/step, 4.30405 hours remaining, 226.226562 MB of memory in use. ENERGY: 18200 3978.5561 20424.5515 14558.0993 232.7994 -202810.4705 2521.6300 0.0000 0.0000 51832.7626 -109262.0717 297.8836 -161094.8343 -108904.2509 299.1005 308.4446 340.0676 759907.4464 -1.7512 -1.5528 PRESSURE: 18400 61.7387 -166.827 -9.01803 -166.827 188.989 -336.974 -9.01832 -336.974 -64.6613 GPRESSURE: 18400 179.27 -195.562 -34.5983 -115.655 179.634 -229.332 122.593 -409.125 -76.5782 PRESSAVG: 18400 -39.6098 -38.6905 41.195 -38.6905 13.8197 10.1003 41.195 10.1002 -7.71244 GPRESSAVG: 18400 -38.5894 -37.4836 40.8016 -35.9874 12.4337 9.53508 42.4418 10.321 -7.74087 TIMING: 18400 CPU: 57.8521, 0.00313298/step Wall: 57.8521, 0.00313298/step, 4.33535 hours remaining, 226.226562 MB of memory in use. ENERGY: 18400 3978.7057 20528.5683 14515.6941 255.1644 -203256.8929 2691.5677 0.0000 0.0000 52206.3427 -109080.8501 300.0306 -161287.1928 -108731.9792 299.8022 62.0220 94.1085 760924.4099 -11.1675 -11.2989 PRESSURE: 18600 -315.802 -169.334 -90.8981 -169.334 49.2693 49.9251 -90.8981 49.9269 -40.6816 GPRESSURE: 18600 -143.269 -86.3696 -50.4333 -145.388 4.34698 97.3528 -0.364767 28.0075 -69.9511 PRESSAVG: 18600 -5.80664 -36.4398 14.6752 -36.4398 4.448 -31.8329 14.6754 -31.8329 19.9457 GPRESSAVG: 18600 -7.17269 -36.4901 13.9056 -37.5995 5.00169 -33.4418 14.9323 -31.4181 20.6549 TIMING: 18600 CPU: 58.4782, 0.00313032/step Wall: 58.4782, 0.00313032/step, 4.33149 hours remaining, 226.226562 MB of memory in use. ENERGY: 18600 3971.9839 20451.0568 14457.4956 261.6000 -203550.5751 2877.4620 0.0000 0.0000 52366.2661 -109164.7108 300.9497 -161530.9768 -108800.7873 299.5895 -102.4048 -69.6245 761152.1116 6.1957 6.1613 PRESSURE: 18800 10.925 -0.0232478 77.0663 -0.023002 -116.612 -58.1373 77.0669 -58.1381 -94.0477 GPRESSURE: 18800 -7.25641 -42.8862 8.97894 -45.8735 -102.379 -114.713 57.132 -24.7203 17.2435 PRESSAVG: 18800 2.36127 -10.8437 -11.0312 -10.8437 -39.6782 10.7597 -11.0312 10.7596 13.4798 GPRESSAVG: 18800 2.60928 -12.5504 -8.99862 -8.5259 -39.1835 11.7411 -10.7494 10.5599 13.0369 TIMING: 18800 CPU: 59.1034, 0.00312629/step Wall: 59.1034, 0.00312629/step, 4.32574 hours remaining, 226.234375 MB of memory in use. ENERGY: 18800 4017.9593 20648.4855 14545.2587 253.3441 -203008.1386 2411.0879 0.0000 0.0000 52054.4235 -109077.5796 299.1575 -161132.0031 -108713.8537 299.5417 -66.5782 -30.7973 762293.2890 -7.9457 -7.8458 PRESSURE: 19000 102.5 -114.834 -55.0584 -114.833 -208.859 -34.3614 -55.0565 -34.3601 103.169 GPRESSURE: 19000 131.412 -193.447 -83.1746 -95.8543 -193.541 -38.7612 -109.857 -12.4132 146.974 PRESSAVG: 19000 54.043 -48.9495 18.5367 -48.9495 -15.4384 65.5453 18.5367 65.5452 9.73597 GPRESSAVG: 19000 55.8712 -49.3833 17.5115 -50.2597 -16.25 66.2722 15.5357 66.4436 8.16332 TIMING: 19000 CPU: 59.7302, 0.00313378/step Wall: 59.7302, 0.00313378/step, 4.33594 hours remaining, 226.234375 MB of memory in use. ENERGY: 19000 3964.1244 20641.1805 14518.0175 244.4074 -202977.5061 2480.3118 0.0000 0.0000 52107.9541 -109021.5103 299.4651 -161129.4644 -108667.5645 299.3730 -1.0632 28.2817 761732.0697 16.1135 15.9282 PRESSURE: 19200 -1.31875 163.584 175.018 163.584 -72.6878 -46.6313 175.018 -46.6313 230.105 GPRESSURE: 19200 55.8541 191.918 95.3137 71.9299 -49.7441 -2.133 76.6286 -20.9007 223.733 PRESSAVG: 19200 50.6503 -21.2407 19.4164 -21.2408 -14.3765 -59.2809 19.4165 -59.2808 -11.6096 GPRESSAVG: 19200 48.3702 -20.0223 20.5305 -21.2184 -12.5592 -59.271 20.4136 -59.2578 -11.4605 TIMING: 19200 CPU: 60.3597, 0.00314766/step Wall: 60.3597, 0.00314766/step, 4.35496 hours remaining, 226.242188 MB of memory in use. ENERGY: 19200 3959.4287 20551.5309 14498.5518 236.5448 -203030.6495 2594.6147 0.0000 0.0000 52020.7283 -109169.2503 298.9638 -161189.9786 -108807.7178 299.5073 52.0329 76.6143 762415.4754 8.2214 8.1168 PRESSURE: 19400 -124.389 -122.796 171.712 -122.796 -92.4773 -134.718 171.713 -134.717 -3.44022 GPRESSURE: 19400 13.5352 -161.475 249.723 -21.6715 -105.961 -173.148 102.62 -89.0387 -39.2046 PRESSAVG: 19400 -41.9606 -46.655 -14.4052 -46.655 5.08968 -10.6965 -14.4053 -10.6965 -15.855 GPRESSAVG: 19400 -41.3549 -48.4309 -15.2892 -48.0142 4.39331 -11.2057 -14.0584 -11.3983 -15.8719 TIMING: 19400 CPU: 60.998, 0.0031916/step Wall: 60.998, 0.0031916/step, 4.41558 hours remaining, 226.234375 MB of memory in use. ENERGY: 19400 3995.8228 20587.4054 14571.7019 243.4627 -202939.3837 2589.1077 0.0000 0.0000 51943.4196 -109008.4636 298.5195 -160951.8832 -108657.8860 299.3395 -73.4355 -43.8769 762354.7621 -17.5753 -17.6111 PRESSURE: 19600 61.136 249.247 6.20726 249.247 -79.2409 27.7317 6.20693 27.7303 182.413 GPRESSURE: 19600 45.4721 113.695 131.413 284.455 -12.8932 93.9462 -28.3401 -87.4051 227.503 PRESSAVG: 19600 -20.1204 8.47031 -7.0671 8.47036 -0.896921 6.77804 -7.06707 6.77802 -2.06276 GPRESSAVG: 19600 -20.972 10.1737 -6.68976 8.3803 -1.17515 5.54821 -6.63041 8.29499 -0.91812 TIMING: 19600 CPU: 61.6309, 0.00316451/step Wall: 61.6309, 0.00316451/step, 4.37793 hours remaining, 226.234375 MB of memory in use. ENERGY: 19600 3947.9374 20581.0423 14526.1541 249.0072 -202885.7692 2433.9384 0.0000 0.0000 52251.8432 -108895.8466 300.2921 -161147.6898 -108527.9755 299.7767 54.7695 86.6939 762783.0978 -7.6934 -7.6884 PRESSURE: 19800 388.832 -115.404 -118.876 -115.404 227.066 -29.5216 -118.876 -29.5219 392.691 GPRESSURE: 19800 469.632 -39.2675 -174.699 -26.5889 276.152 -58.6716 -113.18 94.1672 324.179 PRESSAVG: 19800 -10.5003 -14.4393 51.9089 -14.4394 20.2039 23.9094 51.909 23.9094 24.7849 GPRESSAVG: 19800 -8.77022 -14.7837 51.3763 -13.3889 19.1624 25.4863 48.8522 23.1688 22.975 TIMING: 19800 CPU: 62.2589, 0.00313962/step Wall: 62.2589, 0.00313962/step, 4.34332 hours remaining, 226.234375 MB of memory in use. ENERGY: 19800 3858.5124 20619.1264 14607.7325 241.4295 -203265.0784 2825.5207 0.0000 0.0000 52095.1198 -109017.6370 299.3914 -161112.7568 -108655.3573 299.7356 336.1965 356.6542 761373.2139 11.4962 11.1224 PRESSURE: 20000 164.22 151.182 180.055 151.182 -183.896 86.8497 180.055 86.8493 412.769 GPRESSURE: 20000 199.332 48.7153 197.175 9.68073 -104.683 97.6372 205.55 -33.1418 396.185 PRESSAVG: 20000 -24.0931 -29.1849 -6.88801 -29.1849 41.4939 6.39847 -6.88793 6.39849 -13.1361 GPRESSAVG: 20000 -25.8198 -28.2176 -6.83873 -29.3419 42.2403 3.60646 -4.01488 7.99262 -12.1518 TIMING: 20000 CPU: 62.8878, 0.00314475/step Wall: 62.8878, 0.00314475/step, 4.35024 hours remaining, 226.234375 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: 20000 4006.8965 20397.7178 14605.6748 259.1752 -203209.6570 2890.6825 0.0000 0.0000 52104.7635 -108944.7467 299.4468 -161049.5101 -108588.8129 299.8152 131.0311 163.6114 761822.9113 1.4216 1.4229 PRESSURE: 20200 154.474 31.077 -159.53 31.0774 -98.4184 260.453 -159.531 260.453 -457.724 GPRESSURE: 20200 149.486 191.907 -145.244 -52.9315 -43.8822 237.788 -70.3582 169.65 -421.799 PRESSAVG: 20200 -2.47504 -11.4875 30.0858 -11.4875 47.7613 3.21093 30.0857 3.21096 14.0047 GPRESSAVG: 20200 -1.20936 -13.3874 30.4289 -13.6127 47.2456 4.66038 29.1065 2.5971 12.9631 TIMING: 20200 CPU: 63.5146, 0.00313408/step Wall: 63.5146, 0.00313408/step, 4.3353 hours remaining, 226.234375 MB of memory in use. ENERGY: 20200 4069.7723 20691.2661 14552.9105 262.7186 -203133.9287 2562.5149 0.0000 0.0000 52115.0246 -108879.7217 299.5058 -160994.7463 -108530.8535 299.5140 -133.8894 -105.3981 763186.3338 19.7636 19.6664 LDB: ============= START OF LOAD BALANCING ============== 75.9639 LDB: ============== END OF LOAD BALANCING =============== 75.9641 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.9656 LDB: ============= START OF LOAD BALANCING ============== 76.2833 LDB: Largest compute 7059 load 0.036197 is 18.6% of average load 0.194274 LDB: Average compute 0.004374 is 2.3% of average load 0.194274 LDB: TIME 76.2866 LOAD: AVG 0.194274 MAX 0.211491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.574 MB LDB: TIME 76.287 LOAD: AVG 0.194274 MAX 0.211491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.578 MB LDB: TIME 76.2871 LOAD: AVG 0.194274 MAX 0.211491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.578 MB LDB: ============== END OF LOAD BALANCING =============== 76.2889 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.2938 PRESSURE: 20400 30.9266 66.8847 -115.159 66.885 11.3534 -8.6741 -115.158 -8.67435 -188.287 GPRESSURE: 20400 85.3501 3.32198 -28.0312 23.0961 37.9279 55.581 -118.086 -85.8841 -165.616 PRESSAVG: 20400 -88.3328 -19.8018 3.50785 -19.8018 59.8416 -12.5175 3.50796 -12.5175 7.24703 GPRESSAVG: 20400 -87.4377 -19.9866 4.17752 -17.9897 58.5226 -12.1892 3.24694 -13.7529 7.3587 TIMING: 20400 CPU: 64.158, 0.00321676/step Wall: 64.158, 0.00321676/step, 4.4495 hours remaining, 225.445312 MB of memory in use. ENERGY: 20400 3978.9598 20531.8203 14550.9568 259.5917 -202974.5580 2484.9242 0.0000 0.0000 52067.6275 -109100.6777 299.2334 -161168.3052 -108736.6109 299.5382 -48.6690 -14.1126 764413.3971 -7.0814 -7.1855 PRESSURE: 20600 19.3787 51.5524 -99.0452 51.5519 198.025 -269.958 -99.0454 -269.958 424.04 GPRESSURE: 20600 -6.78741 -55.0039 -66.2111 -60.5443 287.736 -210.342 -7.45777 -256.072 461.89 PRESSAVG: 20600 31.8079 -1.92568 -7.94553 -1.92568 27.8653 -8.75108 -7.94557 -8.75105 13.2813 GPRESSAVG: 20600 30.0891 -0.244698 -6.51385 -3.84375 28.692 -7.30773 -7.43505 -9.44745 13.9333 TIMING: 20600 CPU: 64.7917, 0.00316874/step Wall: 64.7917, 0.00316874/step, 4.3829 hours remaining, 225.445312 MB of memory in use. ENERGY: 20600 3853.6986 20364.0991 14560.3338 251.0629 -202708.4580 2540.8141 0.0000 0.0000 52029.1886 -109109.2609 299.0125 -161138.4495 -108737.0175 299.1866 213.8145 247.6127 763452.6316 24.3182 24.2381 PRESSURE: 20800 83.8935 161.843 -68.1547 161.843 207.852 109.246 -68.1546 109.245 -218.315 GPRESSURE: 20800 100.448 302.106 -74.6122 202.69 267.456 77.3743 -8.68079 62.6413 -217.559 PRESSAVG: 20800 -31.7026 -11.8945 -45.8597 -11.8944 -4.98672 -6.57096 -45.8597 -6.57101 -13.835 GPRESSAVG: 20800 -31.1164 -12.2855 -46.5297 -8.44386 -4.74196 -8.46742 -47.251 -6.91134 -14.1461 TIMING: 20800 CPU: 65.4243, 0.00316281/step Wall: 65.4243, 0.00316281/step, 4.37452 hours remaining, 225.445312 MB of memory in use. ENERGY: 20800 3861.4525 20416.6495 14553.1574 255.6809 -202835.8389 2611.1169 0.0000 0.0000 51999.9178 -109137.8640 298.8442 -161137.7817 -108770.5584 299.6102 24.4770 50.1153 764172.0277 -16.8414 -16.6681 PRESSURE: 21000 178.004 -59.9025 -76.2967 -59.9026 190.115 -11.1429 -76.2975 -11.1439 -5.8282 GPRESSURE: 21000 221.942 -8.34292 -107.945 -63.0889 160.048 40.356 -138.063 70.1205 61.3752 PRESSAVG: 21000 2.29223 -2.18022 -28.9344 -2.18022 -0.00930574 32.03 -28.9345 32.03 -6.43908 GPRESSAVG: 21000 0.639147 -3.32493 -28.825 -0.959943 0.619705 33.8418 -30.3962 34.6623 -5.80364 TIMING: 21000 CPU: 66.0585, 0.00317093/step Wall: 66.0585, 0.00317093/step, 4.38557 hours remaining, 225.445312 MB of memory in use. ENERGY: 21000 4049.5171 20532.3601 14500.0380 243.2055 -202813.7948 2395.5460 0.0000 0.0000 52125.7912 -108967.3369 299.5676 -161093.1281 -108605.3062 299.2676 120.7634 147.7885 762182.4786 -1.3854 -1.5149 PRESSURE: 21200 488.346 162.35 48.9639 162.351 151.733 -62.6442 48.9652 -62.644 304.087 GPRESSURE: 21200 498.31 151.474 102.535 45.1259 231.396 -28.8361 95.9352 -82.7741 311.417 PRESSAVG: 21200 -26.6597 17.2098 -22.2938 17.2097 33.4842 7.67537 -22.2937 7.67535 -0.40961 GPRESSAVG: 21200 -26.1655 18.9315 -23.2051 14.8949 33.5319 7.34835 -19.8461 5.35035 -0.993028 TIMING: 21200 CPU: 66.6851, 0.0031333/step Wall: 66.6851, 0.0031333/step, 4.33335 hours remaining, 225.445312 MB of memory in use. ENERGY: 21200 3998.6223 20501.3846 14570.3205 250.5906 -203679.5031 3019.2998 0.0000 0.0000 52452.7484 -108886.5369 301.4467 -161339.2853 -108520.2021 300.1239 314.7223 347.0410 760775.2540 2.1383 2.1245 PRESSURE: 21400 -251.205 16.4053 -28.2417 16.4047 77.7412 -278.551 -28.2417 -278.552 -426.847 GPRESSURE: 21400 -147.534 36.2412 -128.862 38.8851 96.9834 -200.739 -172.204 -78.4336 -474.942 PRESSAVG: 21400 33.7194 -3.51365 -19.9318 -3.51375 4.89744 -6.99594 -19.9317 -6.99593 22.7859 GPRESSAVG: 21400 34.1238 -4.01579 -19.5687 -1.44148 4.26948 -7.6505 -20.66 -4.72777 23.1503 TIMING: 21400 CPU: 67.3113, 0.00313087/step Wall: 67.3113, 0.00313087/step, 4.32983 hours remaining, 225.445312 MB of memory in use. ENERGY: 21400 4012.8815 20567.7255 14547.6619 249.8241 -203111.3309 2489.6185 0.0000 0.0000 52393.5946 -108850.0246 301.1067 -161243.6192 -108480.9589 300.1020 -200.1037 -175.1644 761763.6273 20.4676 20.5145 PRESSURE: 21600 -12.9195 -1.13467 -138.911 -1.13498 137.962 46.2083 -138.91 46.2081 -39.964 GPRESSURE: 21600 58.8678 25.558 -93.9097 -105.142 136.398 72.5516 31.051 -21.5215 -14.7293 PRESSAVG: 21600 -12.2734 21.4464 -29.5321 21.4464 8.10984 15.8702 -29.532 15.8702 -4.61965 GPRESSAVG: 21600 -11.3886 20.7278 -30.4871 17.7143 8.00419 16.7398 -27.872 14.7724 -5.29065 TIMING: 21600 CPU: 67.9362, 0.00312435/step Wall: 67.9362, 0.00312435/step, 4.32064 hours remaining, 225.445312 MB of memory in use. ENERGY: 21600 4051.3059 20640.9826 14546.8342 254.2263 -202996.5091 2663.8613 0.0000 0.0000 52158.9559 -108680.3429 299.7582 -160839.2988 -108319.5198 300.2492 28.3594 60.1789 761131.1380 -2.9277 -2.8917 PRESSURE: 21800 -315.195 59.625 50.8066 59.625 -63.1709 -1.94648 50.8062 -1.94726 -422.268 GPRESSURE: 21800 -234.778 93.9006 89.1526 153.478 46.9216 55.3384 66.6694 97.5534 -520.71 PRESSAVG: 21800 -6.85602 -1.14214 -45.9783 -1.14216 14.0606 7.1945 -45.9783 7.1945 12.3367 GPRESSAVG: 21800 -8.51706 -0.62045 -44.6919 1.19245 15.4406 6.35681 -46.5195 6.55486 12.7998 TIMING: 21800 CPU: 68.5632, 0.00313509/step Wall: 68.5632, 0.00313509/step, 4.33531 hours remaining, 225.445312 MB of memory in use. ENERGY: 21800 4126.6513 20584.1350 14534.2167 264.2368 -203216.7076 2723.5820 0.0000 0.0000 52397.0673 -108586.8186 301.1267 -160983.8858 -108224.9623 300.8135 -266.8777 -236.1890 763647.5765 6.5138 6.5744 PRESSURE: 22000 101.6 -217.568 214.858 -217.567 -156.317 -96.08 214.856 -96.0807 109.246 GPRESSURE: 22000 151.828 -138.558 196.145 -317.46 -196.823 -71.8926 238.106 -88.63 195.308 PRESSAVG: 22000 -30.8414 -36.3576 18.1973 -36.3577 26.2863 -17.1289 18.1973 -17.1289 -5.84118 GPRESSAVG: 22000 -29.6878 -36.6986 16.7538 -38.8633 25.8365 -17.4879 20.9342 -15.8377 -6.43348 TIMING: 22000 CPU: 69.1915, 0.00314145/step Wall: 69.1915, 0.00314145/step, 4.34392 hours remaining, 225.445312 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: 22000 3949.5167 20554.4948 14499.8771 248.4311 -202986.7770 2695.0739 0.0000 0.0000 52439.4505 -108599.9328 301.3702 -161039.3833 -108233.3235 300.3867 18.1759 50.1043 762731.9744 -3.4654 -3.4283 PRESSURE: 22200 -470.457 103.291 -14.0496 103.291 32.2906 79.7249 -14.0495 79.7247 -60.3739 GPRESSURE: 22200 -370.099 128.119 -5.86392 68.113 35.9572 53.8458 -21.8256 26.1864 -53.8332 PRESSAVG: 22200 27.1967 -55.0787 33.1456 -55.0787 4.64797 1.63306 33.1456 1.63303 -11.8884 GPRESSAVG: 22200 27.4558 -56.8931 33.5056 -55.044 3.81887 1.5019 29.371 0.648288 -11.1424 TIMING: 22200 CPU: 69.8163, 0.00312386/step Wall: 69.8163, 0.00312385/step, 4.31942 hours remaining, 225.445312 MB of memory in use. ENERGY: 22200 3998.7550 20520.0470 14522.6288 236.2487 -202788.2203 2532.0741 0.0000 0.0000 52189.2192 -108789.2475 299.9322 -160978.4667 -108429.0360 300.4617 -166.1802 -129.3251 762614.2498 6.6521 6.7107 PRESSURE: 22400 -262.837 195.002 236.987 195.003 62.8303 -132.195 236.987 -132.196 188.285 GPRESSURE: 22400 -109.254 158.328 144.918 149.672 57.4483 -203.888 231.11 -93.7358 144.016 PRESSAVG: 22400 1.14963 24.2116 -30.0075 24.2116 -4.69692 51.0543 -30.0075 51.0543 3.92351 GPRESSAVG: 22400 1.71678 27.9367 -31.6393 24.4811 -3.97147 50.7253 -28.2305 53.4467 2.63913 TIMING: 22400 CPU: 70.4424, 0.00313065/step Wall: 70.4424, 0.00313065/step, 4.32865 hours remaining, 225.445312 MB of memory in use. ENERGY: 22400 3962.9490 20523.2895 14547.9860 248.0108 -202808.8066 2477.8262 0.0000 0.0000 52212.3949 -108836.3503 300.0654 -161048.7452 -108484.2728 299.7584 -3.9070 30.7366 763294.6795 0.1254 0.1281 PRESSURE: 22600 396.004 -216.143 -277.779 -216.143 -154.636 -138.629 -277.778 -138.629 -89.2493 GPRESSURE: 22600 414.104 -146.863 -288.22 -219.432 -136.044 -95.5024 -162.679 -157.263 -30.7637 PRESSAVG: 22600 -24.4857 16.5749 52.5144 16.5748 7.44211 24.2478 52.5144 24.2479 -5.00031 GPRESSAVG: 22600 -26.1798 15.0862 53.4655 17.6248 8.02079 25.8051 51.3597 21.7247 -3.94441 TIMING: 22600 CPU: 71.0674, 0.00312516/step Wall: 71.0674, 0.00312516/step, 4.32088 hours remaining, 225.445312 MB of memory in use. ENERGY: 22600 3983.0500 20552.6560 14495.2812 241.3959 -202953.2246 2663.6072 0.0000 0.0000 52032.2517 -108984.9825 299.0301 -161017.2342 -108624.6908 299.6829 50.7061 82.4321 762284.1838 -7.3480 -7.3678 PRESSURE: 22800 -304.4 14.5793 -115.122 14.5797 -303.177 -67.9178 -115.121 -67.9177 -17.9535 GPRESSURE: 22800 -282.183 71.9562 -78.4114 -79.4172 -202.977 16.7448 -99.0511 26.1953 -51.4736 PRESSAVG: 22800 5.19964 10.4554 20.2237 10.4554 3.54357 -49.0712 20.2237 -49.0713 -8.90875 GPRESSAVG: 22800 6.96317 11.7196 20.9441 8.91322 2.97339 -47.4716 21.8641 -49.1338 -10.1774 TIMING: 22800 CPU: 71.6905, 0.00311548/step Wall: 71.6905, 0.00311548/step, 4.30732 hours remaining, 225.445312 MB of memory in use. ENERGY: 22800 3986.5235 20496.4750 14498.5458 247.2363 -202804.5722 2474.9886 0.0000 0.0000 51954.6149 -109146.1880 298.5839 -161100.8029 -108788.5829 299.6921 -208.5103 -178.8780 763819.7167 -0.0552 -0.0803 PRESSURE: 23000 -181.207 -190.325 66.4413 -190.325 -237.053 -168.545 66.4405 -168.544 -95.3525 GPRESSURE: 23000 -149.477 -184.068 85.6966 -104.038 -145.786 -136.962 -66.408 -130.7 -103.366 PRESSAVG: 23000 -24.1053 14.6851 -50.852 14.6851 41.9651 -9.96558 -50.8519 -9.96557 -4.86775 GPRESSAVG: 23000 -23.6655 12.8664 -51.2449 15.443 40.5413 -12.8174 -52.409 -8.29614 -3.39258 TIMING: 23000 CPU: 72.3177, 0.0031361/step Wall: 72.3177, 0.0031361/step, 4.33566 hours remaining, 225.445312 MB of memory in use. ENERGY: 23000 3957.6024 20393.7938 14494.6047 254.8852 -203327.8068 2641.0369 0.0000 0.0000 52281.8771 -109304.0067 300.4647 -161585.8838 -108928.3772 299.2310 -171.2043 -132.8763 762015.9531 4.3307 4.4944 PRESSURE: 23200 209.976 -14.1334 -137.283 -14.1342 -235.444 125.961 -137.284 125.961 -163.27 GPRESSURE: 23200 220.966 -54.0013 -153.938 42.8262 -174.865 98.3257 -107.616 12.8656 -153.769 PRESSAVG: 23200 -20.0202 -28.2806 -50.6038 -28.2806 30.4235 20.4406 -50.6038 20.4406 9.15133 GPRESSAVG: 23200 -21.307 -26.6532 -51.1858 -28.4102 31.8804 20.9359 -50.05 20.022 9.44927 TIMING: 23200 CPU: 72.9488, 0.00315512/step Wall: 72.9488, 0.00315512/step, 4.36178 hours remaining, 225.445312 MB of memory in use. ENERGY: 23200 3997.1646 20520.3076 14483.1423 269.1171 -203467.9483 2686.3542 0.0000 0.0000 52148.6593 -109363.2033 299.6991 -161511.8626 -108997.7624 299.4149 -62.9127 -35.8895 761639.9374 6.5182 6.6742 PRESSURE: 23400 -383.443 -41.9747 -179.34 -41.9745 331.418 -95.4492 -179.339 -95.4492 44.8908 GPRESSURE: 23400 -303.997 -24.4363 -250.42 -50.6395 328.438 15.23 -67.0384 -269.113 74.8972 PRESSAVG: 23400 -51.5919 4.49525 -59.8712 4.49528 52.8622 -3.91188 -59.8712 -3.91189 -12.2747 GPRESSAVG: 23400 -50.9743 4.43997 -58.3475 3.16123 52.3449 -4.30605 -59.5996 -3.35598 -12.191 TIMING: 23400 CPU: 73.5758, 0.00313522/step Wall: 73.5758, 0.00313522/step, 4.3341 hours remaining, 225.445312 MB of memory in use. ENERGY: 23400 3992.2964 20491.9764 14535.1560 234.7987 -203391.8160 2883.9261 0.0000 0.0000 51870.4747 -109383.1877 298.1003 -161253.6624 -109012.8414 299.3405 -2.3780 33.1125 760322.3934 -3.6681 -3.6068 PRESSURE: 23600 56.6283 -28.808 1.24163 -28.8082 134.486 -31.608 1.24109 -31.6085 65.0252 GPRESSURE: 23600 66.5444 -136.332 -34.0066 -22.1274 116.404 -13.7405 -101.76 54.4275 170.167 PRESSAVG: 23600 -5.50466 -24.3917 -44.5659 -24.3917 41.1755 -60.8727 -44.5659 -60.8727 13.723 GPRESSAVG: 23600 -5.38108 -25.9212 -44.37 -23.9159 40.0585 -59.4422 -43.8013 -63.0958 14.4992 TIMING: 23600 CPU: 74.2031, 0.0031363/step Wall: 74.2031, 0.0031363/step, 4.33542 hours remaining, 225.445312 MB of memory in use. ENERGY: 23600 3961.5689 20572.3877 14570.8934 251.2698 -203110.4267 2493.7231 0.0000 0.0000 51875.5959 -109384.9879 298.1298 -161260.5838 -109027.3367 298.8653 85.3800 117.7050 763213.1941 16.4646 16.3922 PRESSURE: 23800 54.3918 42.3201 58.6076 42.3207 -177.762 91.3675 58.6076 91.3683 -4.09993 GPRESSURE: 23800 69.8766 152.477 -21.8705 -53.9504 -205.247 154.933 43.3081 48.3919 92.3743 PRESSAVG: 23800 -3.34545 -89.5285 -18.0519 -89.5285 17.0046 -0.570228 -18.052 -0.570223 -22.7502 GPRESSAVG: 23800 -3.27932 -87.2449 -21.4288 -89.3379 18.4263 -0.467854 -17.4802 0.419971 -23.5135 TIMING: 23800 CPU: 74.8299, 0.00313439/step Wall: 74.8299, 0.00313439/step, 4.33259 hours remaining, 225.445312 MB of memory in use. ENERGY: 23800 3982.0626 20460.9454 14556.1215 248.8080 -203256.7384 2531.0521 0.0000 0.0000 52133.3881 -109344.3606 299.6113 -161477.7487 -108990.9385 299.0835 -42.4900 -14.3319 762572.9181 -3.0304 -2.7888 PRESSURE: 24000 -10.1712 -5.42543 -97.2922 -5.42683 -264.76 35.6651 -97.2921 35.6649 201.522 GPRESSURE: 24000 30.8741 -0.442529 -60.3693 -15.6925 -176.928 -5.85666 -95.3622 -49.8626 169.205 PRESSAVG: 24000 -45.0233 -56.211 -35.5348 -56.211 19.1676 -6.61314 -35.5349 -6.61325 9.4419 GPRESSAVG: 24000 -44.8827 -57.6188 -32.9347 -56.2983 20.1609 -8.48933 -37.7328 -6.77855 8.31128 TIMING: 24000 CPU: 75.4566, 0.00313305/step Wall: 75.4566, 0.00313305/step, 4.33057 hours remaining, 225.445312 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: 24000 3988.0629 20387.1539 14544.3218 259.4073 -203630.1337 2906.5986 0.0000 0.0000 52198.4518 -109346.1374 299.9852 -161544.5892 -108982.0772 299.0465 -24.4699 7.7173 762459.9399 -5.4712 -5.4702 PRESSURE: 24200 -43.9244 -62.3335 154.383 -62.3345 -437.333 145.194 154.383 145.193 220.855 GPRESSURE: 24200 -50.7077 61.0009 52.6813 -158.136 -341.616 -59.8184 248.994 333.236 212.256 PRESSAVG: 24200 6.21768 -63.9786 -16.3485 -63.9786 -23.0769 25.6435 -16.3486 25.6434 15.7843 GPRESSAVG: 24200 7.82742 -63.1031 -15.1109 -62.9729 -25.4109 24.9442 -16.5173 28.2944 15.758 TIMING: 24200 CPU: 76.0853, 0.00314363/step Wall: 76.0853, 0.00314363/step, 4.34502 hours remaining, 225.445312 MB of memory in use. ENERGY: 24200 4033.8376 20327.7468 14571.8048 275.6454 -203027.8566 2418.5610 0.0000 0.0000 51762.4811 -109637.7800 297.4797 -161400.2610 -109268.2937 298.8093 -86.8007 -60.0225 762336.3849 -0.3583 -0.6085 LDB: ============= START OF LOAD BALANCING ============== 88.5352 LDB: ============== END OF LOAD BALANCING =============== 88.5354 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.5369 LDB: ============= START OF LOAD BALANCING ============== 88.8531 LDB: Largest compute 7059 load 0.035244 is 18.1% of average load 0.194316 LDB: Average compute 0.004373 is 2.3% of average load 0.194316 LDB: TIME 88.8564 LOAD: AVG 0.194316 MAX 0.210133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.879 MB LDB: TIME 88.8568 LOAD: AVG 0.194316 MAX 0.210133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.879 MB LDB: TIME 88.8569 LOAD: AVG 0.194316 MAX 0.210133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.879 MB LDB: ============== END OF LOAD BALANCING =============== 88.8589 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.8635 PRESSURE: 24400 37.5457 -60.9585 -181.025 -60.9598 148.295 -88.4729 -181.025 -88.4725 -129.093 GPRESSURE: 24400 43.2418 -103.479 -143.582 -57.6102 184.112 -222.062 -162.375 -57.2852 -74.2353 PRESSAVG: 24400 51.3977 -36.3936 -48.69 -36.3935 -17.8384 -14.2677 -48.69 -14.2678 -16.6723 GPRESSAVG: 24400 49.3408 -38.1491 -51.4038 -35.4601 -17.0965 -12.4009 -47.4034 -16.4451 -14.597 TIMING: 24400 CPU: 76.7277, 0.00321192/step Wall: 76.7277, 0.00321192/step, 4.43922 hours remaining, 226.160156 MB of memory in use. ENERGY: 24400 3925.4349 20541.7974 14520.1225 249.6498 -203668.6959 2428.2329 0.0000 0.0000 52365.1510 -109638.3073 300.9432 -162003.4583 -109267.5677 298.8831 18.9157 51.0395 760942.9215 5.6290 5.8824 PRESSURE: 24600 -33.6024 -238.839 184.541 -238.838 -354.62 -188.785 184.541 -188.786 43.4964 GPRESSURE: 24600 53.7113 -247.854 178.621 -272.809 -396.846 -254.522 107.869 -145.568 86.0335 PRESSAVG: 24600 52.7751 -5.35693 -19.3528 -5.35687 -33.0445 -8.71537 -19.3528 -8.71533 -19.529 GPRESSAVG: 24600 55.4387 -3.15785 -19.5171 -6.51221 -34.4991 -7.19777 -20.0695 -10.7019 -20.2296 TIMING: 24600 CPU: 77.3606, 0.00316447/step Wall: 77.3606, 0.00316447/step, 4.37348 hours remaining, 226.160156 MB of memory in use. ENERGY: 24600 3928.4592 20493.1468 14539.4741 251.5659 -203471.5291 2504.6572 0.0000 0.0000 51937.7084 -109816.5176 298.4867 -161754.2260 -109463.5387 298.5479 -114.9088 -85.7005 761697.1939 0.0672 0.2367 PRESSURE: 24800 -232.347 7.98267 -162.69 7.98323 -336.478 -95.0753 -162.691 -95.0744 -41.681 GPRESSURE: 24800 -199.967 -76.3996 -204.854 -28.7689 -350.657 -171.131 102.537 121.169 43.3061 PRESSAVG: 24800 25.1742 -9.08742 -71.8551 -9.08744 -31.1007 15.6184 -71.8551 15.6183 -13.589 GPRESSAVG: 24800 24.6878 -9.77906 -71.6292 -12.1804 -31.0281 16.2286 -70.4495 18.0504 -13.2426 TIMING: 24800 CPU: 77.9894, 0.00314441/step Wall: 77.9894, 0.00314441/step, 4.34557 hours remaining, 226.160156 MB of memory in use. ENERGY: 24800 4015.1993 20383.2676 14550.7826 269.4497 -203307.5965 2388.2502 0.0000 0.0000 51927.7014 -109772.9458 298.4292 -161700.6472 -109408.4091 298.2411 -203.5021 -169.1060 761174.8471 -6.5052 -6.5276 PRESSURE: 25000 127.482 36.5208 109.34 36.521 111.624 -48.3319 109.339 -48.3314 -64.5397 GPRESSURE: 25000 112.694 53.1327 29.755 2.43215 190.82 -28.6151 94.7029 83.8377 -38.7147 PRESSAVG: 25000 5.61788 -21.5303 -25.3138 -21.5303 2.79901 3.2056 -25.3137 3.20565 -7.38345 GPRESSAVG: 25000 4.4308 -22.5686 -24.011 -18.7238 4.35501 1.44459 -29.3085 4.10356 -8.1292 TIMING: 25000 CPU: 78.616, 0.00313287/step Wall: 78.616, 0.00313287/step, 4.32945 hours remaining, 226.160156 MB of memory in use. ENERGY: 25000 3937.1461 20489.6778 14384.8125 251.6101 -203360.8400 2653.9650 0.0000 0.0000 52055.2549 -109588.3736 299.1623 -161643.6285 -109225.3516 298.7137 58.1886 88.2665 760534.0876 0.3445 0.2189 PRESSURE: 25200 -332.418 110.58 317.345 110.58 -405.725 109.575 317.345 109.574 -14.5808 GPRESSURE: 25200 -256.11 4.14676 338.938 170.249 -357.899 75.7756 114 80.244 -73.56 PRESSAVG: 25200 27.8554 -34.636 22.7702 -34.6359 -51.0628 31.5712 22.7701 31.5711 14.9244 GPRESSAVG: 25200 27.0789 -35.8281 20.6472 -33.3332 -49.9872 31.5676 24.5611 29.3452 14.5297 TIMING: 25200 CPU: 79.2412, 0.00312573/step Wall: 79.2412, 0.00312573/step, 4.31942 hours remaining, 226.160156 MB of memory in use. ENERGY: 25200 3954.8721 20284.7326 14543.8905 232.2752 -203184.5804 2507.9213 0.0000 0.0000 52163.5825 -109497.3063 299.7848 -161660.8888 -109128.3899 298.4666 -250.9078 -229.1895 761900.5152 -2.7610 -2.7929 PRESSURE: 25400 396.607 -163.918 -43.22 -163.918 -69.7083 -114.669 -43.2195 -114.669 -11.0589 GPRESSURE: 25400 344.743 -103.303 -120.47 -61.1529 41.5727 -74.5487 45.5937 6.53545 26.5375 PRESSAVG: 25400 25.2628 -9.39425 -5.59177 -9.39425 -11.9812 -5.51001 -5.59174 -5.50998 0.310316 GPRESSAVG: 25400 25.9316 -7.28922 -3.74785 -11.6511 -12.7818 -6.13787 -6.42038 -5.13357 0.7682 TIMING: 25400 CPU: 79.8677, 0.00313272/step Wall: 79.8677, 0.00313272/step, 4.32889 hours remaining, 226.160156 MB of memory in use. ENERGY: 25400 3994.9126 20410.8558 14551.4351 264.8043 -203270.4230 2533.3218 0.0000 0.0000 51848.6674 -109666.4260 297.9750 -161515.0934 -109314.0838 298.3311 105.2798 137.6178 760424.2071 4.5306 4.6394 PRESSURE: 25600 -91.8474 85.0117 -94.8475 85.0107 226.958 54.3625 -94.8467 54.363 -198.461 GPRESSURE: 25600 -45.5305 134.662 -22.4508 57.0652 219.915 -46.3271 -86.2672 -2.97705 -161.188 PRESSAVG: 25600 -7.6207 -34.2547 -15.0848 -34.2547 -11.7507 -3.57201 -15.0848 -3.57193 4.27338 GPRESSAVG: 25600 -8.19304 -36.6109 -18.0983 -32.6864 -11.9626 -2.8271 -14.5478 -2.96391 4.53401 TIMING: 25600 CPU: 80.491, 0.0031164/step Wall: 80.491, 0.0031164/step, 4.30618 hours remaining, 226.160156 MB of memory in use. ENERGY: 25600 3961.7691 20632.9531 14514.9837 244.4142 -202974.3146 2439.8096 0.0000 0.0000 51773.9979 -109406.3868 297.5459 -161180.3847 -109041.5826 298.6685 -21.1166 4.3988 762072.0792 -5.0327 -5.2072 PRESSURE: 25800 139.29 8.15364 -123.303 8.15403 -167.737 -121.802 -123.303 -121.802 -39.6829 GPRESSURE: 25800 -24.9328 24.258 -132.761 78.6064 5.90669 -157.836 -53.7903 -34.1464 36.2111 PRESSAVG: 25800 -19.1186 -58.34 -36.8621 -58.34 -13.5772 -36.9884 -36.8621 -36.9884 1.37649 GPRESSAVG: 25800 -20.7258 -56.9898 -35.267 -60.7699 -12.7394 -35.4263 -36.3952 -37.9667 1.99838 TIMING: 25800 CPU: 81.1168, 0.00312922/step Wall: 81.1168, 0.00312922/step, 4.32371 hours remaining, 226.160156 MB of memory in use. ENERGY: 25800 3979.1539 20453.0088 14508.4830 248.7893 -203277.4897 2742.1614 0.0000 0.0000 52048.3759 -109297.5175 299.1227 -161345.8935 -108929.9625 298.8016 -22.7102 5.7283 762587.9959 -10.4398 -10.4889 PRESSURE: 26000 -336.58 -76.528 -15.7845 -76.5283 -0.23596 31.5262 -15.7849 31.5271 193.365 GPRESSURE: 26000 -206.534 -77.6196 35.9309 8.83091 56.7824 80.604 -82.1087 -9.04015 99.4575 PRESSAVG: 26000 47.1572 23.5194 -1.10464 23.5194 -50.8949 32.5658 -1.10466 32.5659 -11.3561 GPRESSAVG: 26000 48.8023 23.3571 -1.58609 27.5571 -52.8683 30.8069 -1.09398 33.3028 -10.9785 TIMING: 26000 CPU: 81.7421, 0.00312628/step Wall: 81.7421, 0.00312628/step, 4.31947 hours remaining, 226.160156 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: 26000 4003.9315 20571.3002 14558.6782 231.8087 -203340.3913 2452.3365 0.0000 0.0000 51994.4458 -109527.8903 298.8128 -161522.3362 -109173.0379 299.1630 -47.8168 -16.7647 760887.0530 -5.0313 -5.0148 PRESSURE: 26200 -221.503 -212.664 75.8923 -212.664 -47.3673 -42.7636 75.892 -42.7627 -220.007 GPRESSURE: 26200 -112.427 -188.395 112.465 -263.763 -117.12 -74.3877 71.6398 121.635 -158.944 PRESSAVG: 26200 27.272 -6.0459 -21.3985 -6.04589 -23.3294 -32.096 -21.3985 -32.0961 15.589 GPRESSAVG: 26200 27.3724 -5.9691 -19.4796 -7.30398 -23.0155 -31.7836 -22.808 -31.5899 15.1558 TIMING: 26200 CPU: 82.3667, 0.00312303/step Wall: 82.3667, 0.00312303/step, 4.31481 hours remaining, 226.160156 MB of memory in use. ENERGY: 26200 3957.5271 20350.5387 14524.6788 248.8999 -203477.4356 2664.1774 0.0000 0.0000 51983.6987 -109747.9151 298.7510 -161731.6137 -109374.3921 298.6119 -162.9593 -129.4974 762659.6022 6.5105 6.5042 PRESSURE: 26400 261.044 -136.444 25.6295 -136.444 -98.2061 96.0438 25.6296 96.0429 -349.071 GPRESSURE: 26400 199.886 -106.203 -69.7062 60.8327 -8.38734 93.7471 38.4653 13.1246 -277.42 PRESSAVG: 26400 44.097 -21.8647 -23.2318 -21.8646 0.113843 23.5545 -23.2318 23.5545 2.8269 GPRESSAVG: 26400 43.5333 -20.6867 -25.6121 -22.2481 0.98656 25.0343 -21.6939 23.2012 2.51566 TIMING: 26400 CPU: 82.9921, 0.00312694/step Wall: 82.9921, 0.00312694/step, 4.32004 hours remaining, 226.160156 MB of memory in use. ENERGY: 26400 3880.6140 20449.0962 14504.5483 269.3660 -203076.0437 2471.8002 0.0000 0.0000 51739.9417 -109760.6774 297.3502 -161500.6190 -109398.2582 298.1147 -62.0779 -28.6407 761921.9514 15.6792 15.6785 PRESSURE: 26600 343.722 255.564 -148.041 255.564 35.6074 -179.119 -148.041 -179.118 278.297 GPRESSURE: 26600 299.494 253.994 -166.217 177.383 54.7488 -183.303 -124.618 -314.706 368.96 PRESSAVG: 26600 17.9295 -20.2888 14.8285 -20.2888 -57.9458 31.2817 14.8285 31.2817 4.07178 GPRESSAVG: 26600 17.3511 -21.6439 14.8527 -20.5253 -57.6526 29.1432 16.7473 32.0491 4.81209 TIMING: 26600 CPU: 83.6196, 0.00313772/step Wall: 83.6196, 0.00313772/step, 4.33475 hours remaining, 226.160156 MB of memory in use. ENERGY: 26600 3944.5254 20500.2084 14551.0780 260.9631 -204087.5308 3192.7939 0.0000 0.0000 51900.1380 -109737.8239 298.2708 -161637.9619 -109381.3996 298.0276 219.2087 241.0676 759998.1853 -11.9815 -11.8298 PRESSURE: 26800 -35.9065 -210.871 -50.2428 -210.871 -236.652 47.0636 -50.2434 47.0636 57.0754 GPRESSURE: 26800 -39.4783 -224.76 -107.272 -128.06 -137.959 9.18225 -56.3566 137.708 33.829 PRESSAVG: 26800 -2.50774 -40.8867 -24.4977 -40.8867 -26.7055 -9.35186 -24.4977 -9.35187 16.7103 GPRESSAVG: 26800 -0.940431 -39.0723 -25.2914 -41.0147 -26.439 -8.66927 -27.4136 -9.50051 15.5299 TIMING: 26800 CPU: 84.2444, 0.00312368/step Wall: 84.2444, 0.00312368/step, 4.31519 hours remaining, 226.160156 MB of memory in use. ENERGY: 26800 4018.7541 20239.9293 14489.6779 238.9974 -203426.0007 2617.2205 0.0000 0.0000 52233.0038 -109588.4179 300.1838 -161821.4216 -109214.0163 298.7195 -71.8279 -47.8693 761623.1969 -4.1676 -3.9498 PRESSURE: 27000 -211.491 -108.595 -227.158 -108.595 141.693 198.425 -227.157 198.425 -83.467 GPRESSURE: 27000 -69.0496 -83.3839 -275.711 -176.863 95.429 112.887 -184.08 235.197 -93.6978 PRESSAVG: 27000 47.2018 -41.5863 15.9439 -41.5863 -35.7932 -47.3338 15.9439 -47.3339 -3.51997 GPRESSAVG: 27000 46.3403 -43.8821 17.2033 -42.0796 -36.2648 -46.4454 16.5836 -49.3167 -1.90271 TIMING: 27000 CPU: 84.8695, 0.00312564/step Wall: 84.8695, 0.00312564/step, 4.31773 hours remaining, 226.160156 MB of memory in use. ENERGY: 27000 4003.1840 20483.3537 14518.6438 244.0533 -203474.9416 2736.7884 0.0000 0.0000 51993.3140 -109495.6045 298.8063 -161488.9185 -109126.6386 298.5868 -51.0883 -22.4395 761170.8274 2.6295 2.7243 PRESSURE: 27200 220.691 25.3683 -30.4928 25.3684 -322.489 263.384 -30.4921 263.383 83.5942 GPRESSURE: 27200 218.517 -80.3067 -81.9256 -50.1982 -249.063 292.215 37.4743 135.897 98.0648 PRESSAVG: 27200 22.9672 -73.9625 -26.8728 -73.9626 -32.1692 1.6078 -26.8728 1.60771 7.79953 GPRESSAVG: 27200 23.56 -73.0379 -28.1074 -74.6884 -32.3726 0.60326 -25.5732 3.38913 7.56162 TIMING: 27200 CPU: 85.4934, 0.00311931/step Wall: 85.4934, 0.00311931/step, 4.3088 hours remaining, 226.160156 MB of memory in use. ENERGY: 27200 3988.2119 20531.7872 14652.0320 226.6668 -203298.4873 2539.3583 0.0000 0.0000 52062.9049 -109297.5261 299.2062 -161360.4310 -108923.6385 299.3881 -6.0679 22.5063 760072.1328 -0.4675 -0.4170 PRESSURE: 27400 63.5327 122.452 27.0272 122.451 255.531 87.1146 27.027 87.1154 -294.012 GPRESSURE: 27400 108.244 115.197 76.9625 189.233 206.4 71.9038 95.4585 27.977 -201.403 PRESSAVG: 27400 157.049 -47.9127 -58.412 -47.9127 -67.4823 -31.1462 -58.412 -31.1463 25.8494 GPRESSAVG: 27400 158.088 -47.8615 -57.6928 -47.328 -67.6786 -30.5229 -59.0718 -31.6126 24.9684 TIMING: 27400 CPU: 86.1164, 0.00311513/step Wall: 86.1164, 0.00311513/step, 4.30286 hours remaining, 226.160156 MB of memory in use. ENERGY: 27400 4009.2015 20613.3267 14560.7148 235.5624 -203867.4626 2996.4556 0.0000 0.0000 52116.4576 -109335.7439 299.5140 -161452.2016 -108972.0250 299.9964 8.3505 37.7467 760799.8547 38.4721 38.4594 PRESSURE: 27600 20.7585 -135.157 -150.021 -135.157 -17.9023 -69.4398 -150.02 -69.4388 -305.678 GPRESSURE: 27600 4.47484 18.5633 -105.537 -78.9287 77.2567 -40.6584 -121.843 -82.0849 -270.579 PRESSAVG: 27600 1.05728 -27.7475 -44.4473 -27.7475 -19.147 -38.5544 -44.4473 -38.5545 -2.68087 GPRESSAVG: 27600 0.951563 -27.2151 -43.6034 -26.1878 -18.8144 -38.4476 -44.9549 -38.1388 -2.14775 TIMING: 27600 CPU: 86.7403, 0.00311984/step Wall: 86.7403, 0.00311984/step, 4.3092 hours remaining, 226.160156 MB of memory in use. ENERGY: 27600 4105.3178 20397.4687 14580.2039 232.4582 -203330.8760 2628.8840 0.0000 0.0000 52076.8116 -109309.7318 299.2862 -161386.5434 -108944.4122 299.2874 -100.9405 -62.9491 761306.4224 -6.9235 -6.6702 PRESSURE: 27800 -130.901 -163.485 3.46615 -163.485 -245.917 97.7873 3.46616 97.7871 -210.727 GPRESSURE: 27800 -148.674 -152.33 -1.64646 -155.235 -159.82 63.27 118.387 189.533 -190.267 PRESSAVG: 27800 12.0427 -51.9231 -12.0126 -51.9232 26.0045 -20.3011 -12.0126 -20.301 2.81158 GPRESSAVG: 27800 11.3358 -51.3528 -13.2452 -53.855 26.9391 -21.2762 -12.1301 -20.9522 2.76497 TIMING: 27800 CPU: 87.3644, 0.00312004/step Wall: 87.3644, 0.00312004/step, 4.3093 hours remaining, 226.160156 MB of memory in use. ENERGY: 27800 4030.3012 20535.1458 14550.3799 261.2511 -203360.9142 2404.4859 0.0000 0.0000 52383.4990 -109195.8513 301.0487 -161579.3503 -108831.0591 299.7293 -195.8481 -166.2534 761486.9458 13.6196 13.6800 PRESSURE: 28000 -203.988 -221.052 137.281 -221.052 -90.5384 -295.282 137.281 -295.281 -194.837 GPRESSURE: 28000 -84.6675 -252.378 70.8127 -283.422 -78.7784 -230.254 115.044 -180.715 -235.735 PRESSAVG: 28000 1.22788 -49.7325 -2.34956 -49.7326 27.4416 34.2855 -2.34959 34.2855 -16.2826 GPRESSAVG: 28000 1.89456 -48.5688 -1.31485 -49.2706 26.746 35.0438 -2.50643 35.5145 -16.5553 TIMING: 28000 CPU: 87.9881, 0.00311879/step Wall: 87.9881, 0.00311879/step, 4.30739 hours remaining, 226.160156 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: 28000 4038.6968 20665.4926 14504.4075 238.3746 -202890.6306 2240.5172 0.0000 0.0000 51877.3615 -109325.7804 298.1399 -161203.1419 -108968.5499 299.2006 -163.1211 -133.0603 761519.6802 4.1290 4.0284 PRESSURE: 28200 131.31 111.654 -126.418 111.654 -277.099 6.3591 -126.418 6.35877 428.297 GPRESSURE: 28200 124.623 -12.6606 -142.411 149.576 -216.834 -8.86358 -196.885 51.9898 450.169 PRESSAVG: 28200 17.1991 -106.838 -34.9667 -106.838 16.2385 10.7058 -34.9667 10.7058 -8.59146 GPRESSAVG: 28200 16.5446 -109.111 -34.6851 -106.246 16.1372 11.036 -36.518 8.55186 -7.58524 TIMING: 28200 CPU: 88.6139, 0.00312883/step Wall: 88.6139, 0.00312884/step, 4.3211 hours remaining, 226.160156 MB of memory in use. ENERGY: 28200 3994.2391 20333.0608 14536.6015 240.4302 -203242.0982 2711.5081 0.0000 0.0000 51891.5407 -109534.7178 298.2214 -161426.2585 -109164.2622 298.7886 94.1691 119.3192 760963.1470 8.2820 8.3655 LDB: ============= START OF LOAD BALANCING ============== 101.062 LDB: ============== END OF LOAD BALANCING =============== 101.062 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.064 LDB: ============= START OF LOAD BALANCING ============== 101.377 LDB: Largest compute 7032 load 0.033878 is 17.4% of average load 0.194438 LDB: Average compute 0.004384 is 2.3% of average load 0.194438 LDB: TIME 101.38 LOAD: AVG 0.194438 MAX 0.20988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.449 MB LDB: TIME 101.38 LOAD: AVG 0.194438 MAX 0.20988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.449 MB LDB: TIME 101.381 LOAD: AVG 0.194438 MAX 0.20988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.453 MB LDB: ============== END OF LOAD BALANCING =============== 101.382 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.387 PRESSURE: 28400 31.834 4.44656 -61.6056 4.44675 -226.281 167.503 -61.6057 167.503 -179.84 GPRESSURE: 28400 55.1335 -97.5391 7.45561 23.7124 -125.946 195.253 -150.4 215.622 -245.969 PRESSAVG: 28400 40.191 -89.359 -28.7378 -89.3589 0.0165361 40.1101 -28.7379 40.1101 15.0218 GPRESSAVG: 28400 40.2861 -88.1039 -29.027 -87.7323 -0.130447 39.8554 -29.0004 42.4596 14.5852 TIMING: 28400 CPU: 89.2513, 0.00318698/step Wall: 89.2513, 0.00318698/step, 4.40122 hours remaining, 226.679688 MB of memory in use. ENERGY: 28400 4036.7911 20481.2937 14599.3465 262.5975 -203553.3145 2828.2487 0.0000 0.0000 51907.3810 -109437.6560 298.3124 -161345.0371 -109082.9397 299.1304 -124.7625 -105.5938 761210.7261 18.4098 18.2470 PRESSURE: 28600 56.575 19.7083 122.727 19.7082 -124.447 13.5598 122.727 13.5604 -109.568 GPRESSURE: 28600 99.3001 -71.8592 102.022 151.943 -52.0123 39.9008 58.8866 -58.2979 -112.618 PRESSAVG: 28600 47.3098 -75.1356 -22.8318 -75.1356 21.2991 12.1768 -22.8318 12.1768 -28.3389 GPRESSAVG: 28600 46.4866 -75.9758 -23.5599 -78.8549 21.4138 11.0694 -21.706 11.1563 -27.7236 TIMING: 28600 CPU: 89.876, 0.00312385/step Wall: 89.876, 0.00312385/step, 4.31386 hours remaining, 226.679688 MB of memory in use. ENERGY: 28600 3950.9914 20364.4584 14472.3282 246.3392 -202846.2016 2478.1512 0.0000 0.0000 52061.3187 -109272.6146 299.1971 -161333.9332 -108901.0981 299.2830 -59.1466 -21.7767 762087.5223 13.4234 13.3923 PRESSURE: 28800 -231.355 75.7955 -84.1463 75.7953 -338.245 -256.956 -84.1466 -256.955 11.66 GPRESSURE: 28800 -226.146 -62.7805 -93.1051 27.7421 -278.828 -230.718 -47.2158 -55.4113 41.9052 PRESSAVG: 28800 46.5088 -52.0373 -21.0993 -52.0372 -70.7723 39.9676 -21.0993 39.9675 0.46339 GPRESSAVG: 28800 46.4922 -52.3609 -20.9294 -50.0354 -70.4312 39.5183 -21.3894 40.526 0.204372 TIMING: 28800 CPU: 90.4983, 0.00311142/step Wall: 90.4983, 0.00311142/step, 4.29653 hours remaining, 226.679688 MB of memory in use. ENERGY: 28800 4020.5587 20570.0291 14510.3194 233.8760 -203404.2711 2695.6561 0.0000 0.0000 52279.4564 -109094.3754 300.4508 -161373.8318 -108738.8220 299.1656 -185.9800 -154.3562 761056.8454 -7.9333 -7.9115 PRESSURE: 29000 7.31365 -254.081 114.541 -254.081 351.827 -169.788 114.541 -169.788 -245.771 GPRESSURE: 29000 38.4668 -376.874 113.061 -272.852 308.949 -166.514 112.242 -138.068 -158.311 PRESSAVG: 29000 35.9662 -48.1389 10.358 -48.1389 -24.6921 12.7736 10.358 12.7736 9.73574 GPRESSAVG: 29000 38.1428 -49.5084 9.15549 -47.2966 -24.6726 14.7087 10.6287 11.6689 8.26375 TIMING: 29000 CPU: 91.1263, 0.00313991/step Wall: 91.1263, 0.00313991/step, 4.33569 hours remaining, 226.679688 MB of memory in use. ENERGY: 29000 3988.0172 20571.0924 14513.5924 242.0728 -202990.7123 2613.8092 0.0000 0.0000 51968.7297 -109093.3985 298.6650 -161062.1282 -108732.9351 299.7591 37.7901 63.0347 760993.4201 7.0033 7.2446 PRESSURE: 29200 394.62 139.8 38.3576 139.8 453.815 -336.824 38.3577 -336.824 412.565 GPRESSURE: 29200 423.373 106.803 84.9538 182.888 556.788 -321.143 88.1433 -271.416 355.956 PRESSAVG: 29200 -5.90158 -42.7346 13.8081 -42.7345 10.6425 -21.5878 13.8081 -21.5878 1.78156 GPRESSAVG: 29200 -6.41772 -43.1119 15.6346 -42.2846 10.2018 -21.619 13.4581 -22.1323 2.64112 TIMING: 29200 CPU: 91.7479, 0.003108/step Wall: 91.7479, 0.003108/step, 4.29145 hours remaining, 226.679688 MB of memory in use. ENERGY: 29200 3880.8260 20438.6684 14437.5136 213.6414 -203669.1072 3030.9981 0.0000 0.0000 52214.2581 -109453.2016 300.0761 -161667.4597 -109082.3723 299.5503 420.3334 445.3724 759911.3648 2.1741 2.1417 PRESSURE: 29400 187.412 -31.1707 -103.493 -31.1709 -246.939 133.258 -103.493 133.257 263.325 GPRESSURE: 29400 156.59 -52.2769 -50.1841 -44.2741 -127.339 153.824 -89.2394 155.388 254.768 PRESSAVG: 29400 -21.8826 -2.74752 9.99855 -2.74753 4.46322 -41.6744 9.99861 -41.6743 35.294 GPRESSAVG: 29400 -21.669 -0.141983 11.2768 -4.74216 4.39618 -42.7876 8.98775 -41.5918 35.0225 TIMING: 29400 CPU: 92.3746, 0.00313325/step Wall: 92.3746, 0.00313325/step, 4.32615 hours remaining, 226.679688 MB of memory in use. ENERGY: 29400 4023.2645 20531.4647 14436.8770 233.7780 -203376.6807 2654.0455 0.0000 0.0000 52030.0544 -109467.1967 299.0174 -161497.2511 -109122.4791 298.9530 67.9323 94.6730 760456.5812 5.9582 5.9166 PRESSURE: 29600 323.538 -33.4471 337.938 -33.4465 -81.2083 -117.498 337.938 -117.498 -18.9424 GPRESSURE: 29600 305.414 -59.0873 299.421 21.7056 -29.878 -152.77 356.102 -14.6823 40.2518 PRESSAVG: 29600 -21.3737 -22.4548 -44.8314 -22.4548 45.6492 38.3615 -44.8313 38.3616 -5.11412 GPRESSAVG: 29600 -22.2821 -22.3598 -46.7162 -21.9335 46.2249 38.2513 -44.4498 39.9601 -4.52051 TIMING: 29600 CPU: 93.0045, 0.00314991/step Wall: 93.0045, 0.00314991/step, 4.34897 hours remaining, 226.679688 MB of memory in use. ENERGY: 29600 3977.4069 20357.6604 14462.9516 249.0462 -203090.9546 2430.2270 0.0000 0.0000 52002.8489 -109610.8136 298.8611 -161613.6626 -109246.9403 298.5327 74.4626 105.2626 760537.6399 6.3871 6.4741 PRESSURE: 29800 9.08079 -74.3163 130.861 -74.3162 416.577 335.039 130.861 335.039 114.223 GPRESSURE: 29800 70.7459 -22.3574 90.9522 -95.2548 397.149 401.829 117.702 357.818 144.503 PRESSAVG: 29800 -6.74376 18.3369 22.0069 18.3369 23.8778 -8.4921 22.0069 -8.49218 -1.33941 GPRESSAVG: 29800 -5.06423 16.8661 24.671 18.5256 23.5223 -7.20368 22.3021 -11.6137 -2.95855 TIMING: 29800 CPU: 93.6317, 0.00313573/step Wall: 93.6317, 0.00313573/step, 4.32923 hours remaining, 226.679688 MB of memory in use. ENERGY: 29800 3938.9816 20293.2549 14423.6197 235.1911 -202897.6258 2618.6494 0.0000 0.0000 51793.6355 -109594.2935 297.6587 -161387.9290 -109227.2615 298.0837 179.9601 204.1328 761791.0081 5.2649 5.1665 PRESSURE: 30000 -236.553 -48.9947 -180.267 -48.9947 -72.563 42.0549 -180.267 42.0551 -195.501 GPRESSURE: 30000 -320.227 -6.04576 -148.496 -52.4137 -5.08683 138.001 23.1301 9.03448 -105.63 PRESSAVG: 30000 2.63245 -39.257 -0.0115214 -39.2569 -2.36365 16.506 -0.011456 16.506 -21.9126 GPRESSAVG: 30000 0.40629 -40.3781 -2.21582 -37.7035 -2.41469 15.5294 2.31234 16.8832 -19.8436 TIMING: 30000 CPU: 94.2542, 0.00311239/step Wall: 94.2542, 0.00311239/step, 4.29682 hours remaining, 226.679688 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: 30000 3996.9718 20606.6922 14548.1334 238.8843 -203282.5539 2532.3777 0.0000 0.0000 51728.0295 -109631.4650 297.2817 -161359.4944 -109276.0083 298.2976 -168.2055 -143.6481 761227.9774 -7.2146 -7.2840 PRESSURE: 30200 415.503 23.4037 95.5902 23.404 -42.8709 -99.5355 95.5905 -99.5345 -361.542 GPRESSURE: 30200 263.031 65.8622 107.984 64.0153 88.2527 -200.627 36.1237 -177.048 -242.845 PRESSAVG: 30200 19.7434 20.9638 52.0504 20.9638 1.26648 -17.4488 52.0503 -17.4488 10.0619 GPRESSAVG: 30200 20.2309 22.9384 51.2021 20.6347 1.69233 -18.1453 49.1416 -15.4432 9.5651 TIMING: 30200 CPU: 94.8752, 0.00310493/step Wall: 94.8752, 0.00310493/step, 4.28636 hours remaining, 226.679688 MB of memory in use. ENERGY: 30200 3989.3671 20510.1585 14452.5029 223.9485 -203418.3748 2785.7185 0.0000 0.0000 51987.5429 -109469.1364 298.7731 -161456.6792 -109119.8934 298.9383 3.6970 36.1462 759535.0896 10.3573 10.4961 PRESSURE: 30400 -12.1556 -62.2342 237.402 -62.2341 28.5154 1.00407 237.402 1.00456 63.4639 GPRESSURE: 30400 40.2799 -77.9415 262.495 -59.2796 1.60223 89.3169 285.622 -37.1514 117.924 PRESSAVG: 30400 -5.09956 -18.0461 7.3325 -18.0461 12.2082 -42.4851 7.3325 -42.4852 -0.1478 GPRESSAVG: 30400 -5.87466 -19.603 7.84173 -18.8074 12.652 -42.8621 9.3673 -43.7733 -0.224383 TIMING: 30400 CPU: 95.494, 0.00309401/step Wall: 95.494, 0.00309401/step, 4.2711 hours remaining, 226.679688 MB of memory in use. ENERGY: 30400 3948.3114 20421.1602 14460.1504 250.8578 -203198.6606 2586.9892 0.0000 0.0000 51999.4437 -109531.7478 298.8415 -161531.1915 -109167.4530 298.7027 26.6079 53.2688 761527.6603 2.3203 2.1843 PRESSURE: 30600 -136.621 233.366 -305.365 233.366 76.4186 134.222 -305.366 134.221 -50.5004 GPRESSURE: 30600 -3.79244 70.874 -269.002 235.318 -19.9684 171.151 -257.271 69.6753 -4.34166 PRESSAVG: 30600 -39.0562 11.8062 -42.7147 11.8062 11.2298 2.87795 -42.7147 2.87791 -8.69486 GPRESSAVG: 30600 -37.7553 10.1086 -41.4824 12.0948 10.7295 3.52729 -46.2763 3.24883 -9.45539 TIMING: 30600 CPU: 96.1177, 0.00311867/step Wall: 96.1177, 0.00311867/step, 4.30498 hours remaining, 226.679688 MB of memory in use. ENERGY: 30600 4014.1423 20575.3544 14532.6781 221.9812 -203865.5953 2825.5669 0.0000 0.0000 52205.3821 -109490.4904 300.0250 -161695.8725 -109136.8462 298.6801 -36.9010 -9.3675 761210.7537 -12.1737 -12.1604 PRESSURE: 30800 -143.978 -144.993 -125.316 -144.993 386.342 -2.09668 -125.316 -2.09721 302.545 GPRESSURE: 30800 -46.7876 -172.073 -144.17 -209.227 333.357 -10.0001 -128.859 35.3002 332.088 PRESSAVG: 30800 -46.6597 -44.5736 -37.5265 -44.5737 25.2767 27.0018 -37.5265 27.0018 -7.58286 GPRESSAVG: 30800 -46.7908 -43.6805 -38.5161 -44.8632 24.2011 25.7638 -36.0461 27.9486 -5.93398 TIMING: 30800 CPU: 96.7384, 0.0031035/step Wall: 96.7384, 0.0031035/step, 4.28386 hours remaining, 226.679688 MB of memory in use. ENERGY: 30800 4043.0397 20515.9831 14532.4014 264.3426 -203594.3938 2928.2478 0.0000 0.0000 52120.1558 -109190.2235 299.5353 -161310.3793 -108835.8114 299.0322 181.6366 206.2193 760704.0956 -9.6553 -9.5079 PRESSURE: 31000 -32.949 168.698 367.683 168.699 -161.679 -169.036 367.683 -169.035 -237.967 GPRESSURE: 31000 -6.30357 172.966 293.195 71.7105 -112.916 -254.08 323.017 -125.367 -224.414 PRESSAVG: 31000 -18.614 -10.0932 -0.611888 -10.0932 9.66395 48.8764 -0.611855 48.8764 -21.0194 GPRESSAVG: 31000 -18.5906 -9.586 -2.06473 -9.56559 9.81304 50.3768 -0.798764 47.6986 -21.2817 TIMING: 31000 CPU: 97.3606, 0.00311125/step Wall: 97.3606, 0.00311125/step, 4.29439 hours remaining, 226.679688 MB of memory in use. ENERGY: 31000 3978.2197 20608.4271 14458.0938 257.9275 -203049.9829 2366.3925 0.0000 0.0000 52210.4580 -109170.4643 300.0542 -161380.9223 -108802.8579 299.7498 -144.1983 -114.5444 762500.9814 -9.9898 -10.0197 PRESSURE: 31200 -70.4641 178.267 301.207 178.267 -375.412 -200.626 301.206 -200.627 -226.727 GPRESSURE: 31200 -83.8978 277.414 273.075 179.021 -279.101 -169.645 412.704 -202.817 -214.678 PRESSAVG: 31200 -18.899 0.634087 -5.47585 0.634125 12.393 -30.7231 -5.47587 -30.7232 23.4876 GPRESSAVG: 31200 -19.5136 1.74562 -4.72248 -1.12317 12.3061 -30.4713 -6.29461 -30.4306 23.8211 TIMING: 31200 CPU: 97.9845, 0.00311941/step Wall: 97.9845, 0.00311941/step, 4.30548 hours remaining, 226.679688 MB of memory in use. ENERGY: 31200 4022.5947 20590.7131 14543.7248 249.1302 -202998.0877 2509.6837 0.0000 0.0000 51968.2688 -109113.9723 298.6624 -161082.2412 -108762.0179 299.3531 -224.2010 -192.5587 762723.0077 5.6605 5.5379 PRESSURE: 31400 -96.7046 -35.6439 219.458 -35.6443 202.652 -32.0731 219.457 -32.0735 -311.197 GPRESSURE: 31400 -110.183 27.7052 253.45 19.0062 253.6 -40.298 255.084 48.4021 -263.493 PRESSAVG: 31400 -46.8923 -2.12391 33.5754 -2.12397 39.4359 -13.93 33.5755 -13.9299 -5.22099 GPRESSAVG: 31400 -45.4201 -1.90525 34.4862 0.864416 39.6058 -14.4213 35.1994 -12.9565 -6.45589 TIMING: 31400 CPU: 98.6062, 0.00310859/step Wall: 98.6062, 0.00310859/step, 4.29037 hours remaining, 226.679688 MB of memory in use. ENERGY: 31400 3975.6344 20441.0263 14487.3383 218.3279 -202862.0308 2416.8579 0.0000 0.0000 52145.4198 -109177.4262 299.6804 -161322.8460 -108796.2060 299.2223 -68.4166 -40.0250 762556.9608 -4.2258 -4.0901 PRESSURE: 31600 275.118 75.6149 -98.1417 75.6148 -236.935 -179.584 -98.142 -179.584 39.4198 GPRESSURE: 31600 204.609 11.0837 -19.9252 12.1818 -153.826 -176.185 -140.746 -237.74 104.895 PRESSAVG: 31600 36.9972 -12.7303 71.5812 -12.7302 18.0717 -38.9096 71.5812 -38.9097 -7.55441 GPRESSAVG: 31600 36.1781 -16.075 70.2495 -14.392 17.7599 -40.7698 71.9875 -38.589 -6.50817 TIMING: 31600 CPU: 99.227, 0.00310397/step Wall: 99.227, 0.00310397/step, 4.28383 hours remaining, 226.679688 MB of memory in use. ENERGY: 31600 3999.9877 20460.2801 14478.8072 240.7363 -203231.7338 2651.9421 0.0000 0.0000 52098.4361 -109301.5441 299.4104 -161399.9802 -108946.5683 299.3129 25.8676 51.8927 761325.5969 15.8382 15.8099 PRESSURE: 31800 -264.31 20.0461 -113.543 20.046 32.2857 42.5255 -113.541 42.5261 -265.765 GPRESSURE: 31800 -251.55 -3.66055 -105.868 3.29548 84.7538 -7.14957 -99.2844 -14.4309 -221.526 PRESSAVG: 31800 -2.05485 -11.9606 -28.1509 -11.9606 -26.0169 -38.1134 -28.1509 -38.1134 15.3466 GPRESSAVG: 31800 -3.06348 -10.0827 -27.534 -13.1898 -23.9972 -36.0142 -25.9507 -39.0047 14.3532 TIMING: 31800 CPU: 99.853, 0.00312999/step Wall: 99.853, 0.00312999/step, 4.31956 hours remaining, 226.679688 MB of memory in use. ENERGY: 31800 3897.3454 20348.2744 14455.6646 261.4706 -202980.8014 2540.0400 0.0000 0.0000 52042.6608 -109435.3456 299.0899 -161478.0064 -109065.0806 298.7137 -165.9297 -129.4410 763756.4424 -4.2417 -4.2358 PRESSURE: 32000 -28.1491 289.86 279.572 289.86 21.1691 93.6192 279.572 93.6204 15.4928 GPRESSURE: 32000 63.9614 188.732 251.11 387.209 -53.3057 138.221 304.212 115.521 76.8125 PRESSAVG: 32000 19.1066 -19.4786 -41.9791 -19.4786 -48.2744 12.2127 -41.9791 12.2127 -15.2499 GPRESSAVG: 32000 20.7581 -19.2259 -40.9461 -19.534 -50.0138 12.6054 -43.9532 12.3326 -14.9981 TIMING: 32000 CPU: 100.478, 0.00312368/step Wall: 100.478, 0.00312368/step, 4.31068 hours remaining, 226.679688 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: 32000 3901.6276 20382.0520 14469.4016 235.4249 -203059.8918 2579.2555 0.0000 0.0000 52070.9076 -109421.2226 299.2522 -161492.1302 -109069.7985 298.4989 2.8376 29.1561 763369.7586 -14.8059 -14.7513 PRESSURE: 32200 236.961 -136.49 -65.081 -136.49 147.471 -41.9736 -65.0811 -41.9735 495.123 GPRESSURE: 32200 316.568 -154.692 -79.3438 -148.435 153.037 -42.6513 1.56874 -70.1099 484.074 PRESSAVG: 32200 -1.0187 -39.526 18.7691 -39.5261 -19.6594 -17.2215 18.7691 -17.2215 -21.3867 GPRESSAVG: 32200 -2.37832 -39.7029 16.9827 -37.2544 -18.4795 -17.3612 19.2077 -16.3184 -20.8576 TIMING: 32200 CPU: 101.101, 0.00311602/step Wall: 101.101, 0.00311602/step, 4.29993 hours remaining, 226.679688 MB of memory in use. ENERGY: 32200 3947.0644 20598.0599 14423.2333 249.8200 -203120.6104 2731.2196 0.0000 0.0000 51797.1181 -109374.0950 297.6787 -161171.2131 -109021.5375 298.7538 293.1852 317.8931 762678.8252 -14.0216 -13.9051 LDB: ============= START OF LOAD BALANCING ============== 113.548 LDB: ============== END OF LOAD BALANCING =============== 113.548 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 113.549 LDB: ============= START OF LOAD BALANCING ============== 113.862 LDB: Largest compute 7077 load 0.036564 is 18.8% of average load 0.194470 LDB: Average compute 0.004395 is 2.3% of average load 0.194470 LDB: TIME 113.865 LOAD: AVG 0.19447 MAX 0.212936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.809 MB LDB: TIME 113.866 LOAD: AVG 0.19447 MAX 0.212936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.879 MB LDB: TIME 113.866 LOAD: AVG 0.19447 MAX 0.212936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.879 MB LDB: ============== END OF LOAD BALANCING =============== 113.868 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 113.873 PRESSURE: 32400 -132.465 -360.787 -82.8637 -360.786 3.08146 -26.2528 -82.8629 -26.2527 22.0468 GPRESSURE: 32400 -25.5203 -315.556 -111.602 -323.41 18.7536 -0.868978 -117.321 24.3368 -12.6996 PRESSAVG: 32400 -46.9786 -82.221 -62.4966 -82.221 55.1086 17.421 -62.4967 17.4209 -9.96005 GPRESSAVG: 32400 -46.2238 -80.8401 -62.1051 -83.7733 55.6885 17.5992 -63.2691 18.4546 -10.8079 TIMING: 32400 CPU: 101.737, 0.00318183/step Wall: 101.737, 0.00318183/step, 4.39057 hours remaining, 224.484375 MB of memory in use. ENERGY: 32400 3974.0382 20337.6861 14490.7066 255.2802 -202946.7648 2340.8027 0.0000 0.0000 52103.5469 -109444.7041 299.4398 -161548.2509 -109079.0851 298.8777 -35.7788 -6.4888 763462.6559 -0.6100 -0.4478 PRESSURE: 32600 178.899 94.6586 240.845 94.6576 261.849 170.318 240.845 170.318 400.691 GPRESSURE: 32600 149.458 28.8696 292.436 88.9008 398.384 135.3 116.628 21.3716 386.713 PRESSAVG: 32600 1.90011 -47.7436 -28.2692 -47.7435 0.108353 6.49669 -28.2692 6.4966 -13.6456 GPRESSAVG: 32600 0.906281 -46.1569 -27.5064 -48.3236 0.520269 7.04698 -28.4485 3.81656 -13.1101 TIMING: 32600 CPU: 102.361, 0.0031195/step Wall: 102.361, 0.0031195/step, 4.3044 hours remaining, 224.687500 MB of memory in use. ENERGY: 32600 3958.9872 20400.2593 14535.4136 245.8661 -203773.9592 3109.9267 0.0000 0.0000 51929.5402 -109593.9660 298.4398 -161523.5062 -109236.1639 298.5625 280.4799 311.5184 759761.1083 -3.8790 -3.8945 PRESSURE: 32800 -33.1149 16.9017 -183.174 16.9014 -392.08 -93.0305 -183.174 -93.0293 -144.298 GPRESSURE: 32800 69.8345 -31.5186 -97.806 -100.525 -293.969 -107.52 -147.081 -23.3853 -247.768 PRESSAVG: 32800 14.7904 -36.9667 -31.0902 -36.9667 -7.5389 16.6262 -31.0902 16.6262 11.6132 GPRESSAVG: 32800 16.7252 -38.3122 -31.9518 -36.7284 -7.83532 16.1255 -31.4363 18.9341 10.4375 TIMING: 32800 CPU: 102.99, 0.00314368/step Wall: 102.99, 0.00314368/step, 4.33758 hours remaining, 224.687500 MB of memory in use. ENERGY: 32800 3946.2290 20366.6394 14459.0653 237.2520 -203058.9932 2496.6664 0.0000 0.0000 52003.9550 -109549.1861 298.8674 -161553.1411 -109181.2120 298.7798 -189.8310 -157.3007 762432.0382 6.2882 6.4425 PRESSURE: 33000 -49.9268 120.714 147.027 120.715 332.561 205.758 147.027 205.758 217.855 GPRESSURE: 33000 73.0302 46.8459 109.186 142.519 332.054 120.184 18.5824 70.4339 184.723 PRESSAVG: 33000 26.9993 -19.5482 -73.501 -19.5482 -0.137106 -6.74218 -73.501 -6.7421 13.9066 GPRESSAVG: 33000 27.4951 -20.2916 -75.574 -19.7207 -0.754496 -6.68541 -72.6985 -7.39699 14.0755 TIMING: 33000 CPU: 103.615, 0.00312566/step Wall: 103.615, 0.00312566/step, 4.31254 hours remaining, 224.687500 MB of memory in use. ENERGY: 33000 3970.6130 20429.3541 14537.0895 259.5634 -202981.0426 2603.3416 0.0000 0.0000 51776.8075 -109404.2735 297.5620 -161181.0810 -109047.6187 298.5444 166.8300 196.6023 761056.1542 13.5896 13.6054 PRESSURE: 33200 266.681 83.6699 -120.651 83.6696 28.06 172.248 -120.652 172.247 147.158 GPRESSURE: 33200 268.507 102.986 -192.97 24.081 164.693 169.345 -164.255 8.09801 115.388 PRESSAVG: 33200 5.92569 -16.3321 -80.2085 -16.3322 -52.4584 1.97555 -80.2085 1.97569 -1.59366 GPRESSAVG: 33200 5.12326 -16.2432 -77.8391 -15.3554 -52.1561 2.47106 -83.9833 1.49046 -1.37084 TIMING: 33200 CPU: 104.239, 0.0031194/step Wall: 104.239, 0.0031194/step, 4.30373 hours remaining, 224.687500 MB of memory in use. ENERGY: 33200 4022.0908 20467.9081 14435.7843 246.8616 -202995.8607 2668.0824 0.0000 0.0000 51774.6323 -109380.5012 297.5495 -161155.1335 -109032.8064 298.3454 147.2996 182.8628 764070.4029 -16.0421 -16.1346 PRESSURE: 33400 -231.966 -127.632 113.076 -127.632 -59.2021 -224.709 113.075 -224.708 -135.891 GPRESSURE: 33400 -97.8808 -79.5598 114.337 -128.712 -102.892 -177.344 188.06 -143.605 -146.599 PRESSAVG: 33400 18.968 21.9902 -6.84664 21.9902 29.2856 22.8736 -6.84658 22.8736 10.7029 GPRESSAVG: 33400 18.5456 23.5682 -8.46092 20.4451 29.2054 22.3729 -2.70205 21.6945 11.4465 TIMING: 33400 CPU: 104.864, 0.00312262/step Wall: 104.864, 0.00312262/step, 4.308 hours remaining, 224.687500 MB of memory in use. ENERGY: 33400 3979.2687 20482.9266 14470.8484 272.4482 -202579.4263 2201.8069 0.0000 0.0000 52101.4773 -109070.6503 299.4279 -161172.1276 -108702.8451 299.3497 -142.3532 -115.7906 763438.4228 19.6522 19.7325 PRESSURE: 33600 139.514 85.0435 150.377 85.0422 42.9794 -12.8555 150.377 -12.8563 257.877 GPRESSURE: 33600 291.161 42.8206 -17.7106 10.7492 -84.8999 -33.8454 196.942 30.717 331.073 PRESSAVG: 33600 -23.5403 -21.7545 -4.11085 -21.7545 13.8314 -3.3818 -4.1109 -3.38166 -4.26316 GPRESSAVG: 33600 -23.2828 -24.3991 -4.53493 -18.7748 13.5538 -5.0518 -6.2454 -1.54456 -4.24433 TIMING: 33600 CPU: 105.49, 0.00313016/step Wall: 105.49, 0.00313016/step, 4.31824 hours remaining, 224.687500 MB of memory in use. ENERGY: 33600 3997.1916 20331.9000 14535.5666 256.0318 -203028.7141 2674.2499 0.0000 0.0000 52020.2038 -109213.5705 298.9608 -161233.7743 -108849.7021 298.9922 146.7900 179.1113 763576.2260 -4.6573 -4.6578 PRESSURE: 33800 -231.777 -88.015 -222.502 -88.0149 47.7564 58.5769 -222.501 58.5771 101.331 GPRESSURE: 33800 -177.252 -94.651 -183.67 -58.3808 92.5611 -17.0674 -165.186 54.5752 97.6278 PRESSAVG: 33800 13.6656 22.1829 -6.58127 22.1829 -1.83288 -6.94327 -6.58123 -6.94328 8.48346 GPRESSAVG: 33800 13.2285 23.2281 -4.87696 20.5433 -1.50221 -5.8326 -6.75395 -6.96564 8.93376 TIMING: 33800 CPU: 106.111, 0.00310799/step Wall: 106.111, 0.00310799/step, 4.28748 hours remaining, 224.687500 MB of memory in use. ENERGY: 33800 3998.4441 20574.0131 14507.2793 255.6226 -203050.2565 2331.8681 0.0000 0.0000 52038.0684 -109344.9609 299.0635 -161383.0293 -108976.0679 299.2718 -27.5633 4.3122 762845.2668 6.7721 6.8867 PRESSURE: 34000 435.331 11.2714 171.409 11.2702 -106.748 -64.6748 171.409 -64.6745 654.509 GPRESSURE: 34000 398.243 68.8806 172.302 -92.056 66.8282 -35.8863 255.77 -24.9551 598.07 PRESSAVG: 34000 -1.45887 1.63852 -3.51297 1.63848 -19.196 -37.7919 -3.51293 -37.7919 -9.07103 GPRESSAVG: 34000 -0.727439 1.55094 -5.22805 1.42029 -18.9788 -36.8158 -2.44001 -37.8466 -9.82827 TIMING: 34000 CPU: 106.738, 0.00313386/step Wall: 106.738, 0.00313386/step, 4.32298 hours remaining, 224.687500 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: 34000 3955.2172 20490.1960 14486.5919 234.9032 -203503.8928 2808.2697 0.0000 0.0000 52014.4481 -109514.2666 298.9277 -161528.7147 -109154.6483 298.5065 327.6971 354.3804 760881.9018 -9.9086 -9.8448 PRESSURE: 34200 445.733 95.0935 -67.0498 95.0936 75.5241 132.052 -67.0506 132.052 -113.39 GPRESSURE: 34200 575.995 0.36659 -18.6127 225.135 40.1736 156.014 -43.4643 187.249 -129.948 PRESSAVG: 34200 57.742 -0.0100236 -21.0764 -0.0100739 -30.6763 -43.4317 -21.0764 -43.4318 -4.19008 GPRESSAVG: 34200 56.0671 -0.478365 -19.2522 2.60302 -30.3213 -44.6694 -20.2315 -41.8407 -2.59854 TIMING: 34200 CPU: 107.364, 0.00313011/step Wall: 107.364, 0.00313011/step, 4.31763 hours remaining, 224.687500 MB of memory in use. ENERGY: 34200 4033.0216 20648.8824 14512.7532 266.9565 -203727.4096 2907.1176 0.0000 0.0000 52110.7219 -109247.9565 299.4810 -161358.6784 -108883.6426 299.3417 135.9557 162.0738 760641.4795 7.6252 7.7158 PRESSURE: 34400 51.9381 -41.9011 -431.261 -41.901 139.179 165.456 -431.261 165.457 55.9524 GPRESSURE: 34400 73.6117 -109.927 -409.086 -106.073 150.833 50.6187 -329.219 197.958 101.203 PRESSAVG: 34400 -7.207 -42.4837 -20.9057 -42.4837 1.55055 -3.80759 -20.9057 -3.80761 6.19115 GPRESSAVG: 34400 -5.43581 -42.6337 -21.5657 -43.3447 1.29522 -2.70504 -21.7755 -5.59234 4.4998 TIMING: 34400 CPU: 107.991, 0.00313389/step Wall: 107.991, 0.00313389/step, 4.32267 hours remaining, 224.687500 MB of memory in use. ENERGY: 34400 4065.2615 20493.3524 14578.4361 260.6118 -203255.7430 2613.7944 0.0000 0.0000 52264.0549 -108980.2318 300.3622 -161244.2867 -108617.2310 300.3703 82.3566 108.5491 761110.0077 0.1782 0.1197 PRESSURE: 34600 -156.962 -40.199 -40.7412 -40.1981 -775.44 -28.5371 -40.7419 -28.5366 -54.9448 GPRESSURE: 34600 -174.592 -90.8726 68.5638 -50.7439 -678.307 -66.2411 -3.65424 -7.32578 -30.2466 PRESSAVG: 34600 -46.7871 -45.8786 -20.6719 -45.8786 26.0667 -10.5408 -20.6719 -10.5408 -3.94954 GPRESSAVG: 34600 -47.1196 -44.8993 -19.1061 -45.6663 25.885 -10.8718 -21.7664 -11.3181 -3.79234 TIMING: 34600 CPU: 108.621, 0.00315228/step Wall: 108.621, 0.00315228/step, 4.34787 hours remaining, 224.687500 MB of memory in use. ENERGY: 34600 4015.5108 20587.3267 14443.9584 249.8880 -202936.9292 2532.7507 0.0000 0.0000 52031.6285 -109075.8661 299.0265 -161107.4946 -108706.0024 299.8240 -329.1157 -294.3818 762466.3531 -8.2233 -8.3423 PRESSURE: 34800 49.1014 11.4689 250.868 11.469 144.24 -289.726 250.868 -289.725 -58.3632 GPRESSURE: 34800 112.925 -39.2158 256.558 30.5568 137.703 -229.298 157.122 -292.007 -25.9857 PRESSAVG: 34800 -1.65945 -55.7293 -0.912172 -55.7292 -14.349 10.8788 -0.912162 10.8788 15.3256 GPRESSAVG: 34800 -1.71266 -54.6772 -2.52437 -57.469 -13.9803 10.3975 0.467011 12.8228 15.4996 TIMING: 34800 CPU: 109.249, 0.00313928/step Wall: 109.249, 0.00313928/step, 4.32976 hours remaining, 224.687500 MB of memory in use. ENERGY: 34800 4040.0664 20513.6723 14523.9512 251.5536 -203266.3499 2649.9796 0.0000 0.0000 52078.7163 -109208.4107 299.2971 -161287.1269 -108846.8292 299.4025 44.9928 74.8807 761390.8354 -0.2276 -0.0645 PRESSURE: 35000 -32.5012 -251.702 207.141 -251.701 -336.75 73.8038 207.14 73.8035 212.575 GPRESSURE: 35000 15.8366 -111.983 117.182 -86.7054 -222.22 21.4724 67.6672 -79.4182 106.685 PRESSAVG: 35000 74.5736 -11.5483 -0.0755076 -11.5482 -16.508 -4.51008 -0.0754524 -4.51004 -26.0685 GPRESSAVG: 35000 74.8992 -11.899 2.16016 -9.69383 -15.6322 -4.44219 -4.60425 -6.19261 -27.5814 TIMING: 35000 CPU: 109.876, 0.00313411/step Wall: 109.876, 0.00313411/step, 4.32246 hours remaining, 224.687500 MB of memory in use. ENERGY: 35000 3945.5865 20543.4981 14473.2236 238.6349 -203021.0791 2193.4477 0.0000 0.0000 52291.9837 -109334.7047 300.5227 -161626.6883 -108961.1438 299.2188 -52.2252 -33.2330 761435.9266 10.6657 10.5619 PRESSURE: 35200 90.6454 18.806 -127.424 18.8055 -60.703 113.375 -127.424 113.376 -151.931 GPRESSURE: 35200 43.1191 61.0581 -107.788 23.4064 -11.6368 62.8211 -123.541 48.9428 -78.8921 PRESSAVG: 35200 78.9067 -69.2941 -46.0052 -69.294 -45.6711 -17.4577 -46.0053 -17.4577 10.2537 GPRESSAVG: 35200 77.5051 -68.728 -47.3827 -70.7277 -46.682 -16.6028 -42.6286 -17.4113 12.0573 TIMING: 35200 CPU: 110.502, 0.00312892/step Wall: 110.502, 0.00312892/step, 4.31513 hours remaining, 224.687500 MB of memory in use. ENERGY: 35200 3986.6166 20703.4750 14498.9332 243.4577 -203188.1649 2586.4644 0.0000 0.0000 51856.8604 -109312.3574 298.0221 -161169.2178 -108957.7957 299.2182 -40.6629 -15.8033 762540.8459 14.4965 14.2935 PRESSURE: 35400 -33.5299 -189.602 42.5196 -189.602 -221.626 8.0701 42.5199 8.07079 -23.172 GPRESSURE: 35400 52.0912 -81.7469 117.928 -215.975 -215.577 -11.8698 80.4666 29.3674 -35.4261 PRESSAVG: 35400 69.5697 -39.0383 16.426 -39.0383 -71.5202 -32.41 16.426 -32.41 0.701456 GPRESSAVG: 35400 69.9484 -38.3935 16.3034 -37.6962 -71.1523 -33.9901 17.4407 -30.9561 -0.451022 TIMING: 35400 CPU: 111.131, 0.00314877/step Wall: 111.131, 0.00314877/step, 4.34233 hours remaining, 224.687500 MB of memory in use. ENERGY: 35400 3959.0783 20691.3397 14593.9395 258.7009 -203312.1188 2487.8450 0.0000 0.0000 52136.5672 -109184.6481 299.6296 -161321.2154 -108822.2894 299.0343 -92.7759 -66.3040 763003.7503 -0.4163 -0.5516 PRESSURE: 35600 235.396 110.263 -72.7395 110.263 -315.915 105.605 -72.739 105.605 250.289 GPRESSURE: 35600 254.834 39.2479 21.6814 128.9 -235.35 191.523 -131.663 26.7914 238.335 PRESSAVG: 35600 45.6779 -22.6705 -18.5895 -22.6705 -51.9527 19.4328 -18.5896 19.4328 17.3591 GPRESSAVG: 35600 44.7954 -24.1215 -17.0754 -24.2293 -51.4334 19.3249 -20.1784 18.1055 17.2645 TIMING: 35600 CPU: 111.761, 0.00315004/step Wall: 111.761, 0.00315004/step, 4.34391 hours remaining, 224.687500 MB of memory in use. ENERGY: 35600 3973.6181 20464.2300 14506.6321 258.6869 -203266.6448 2653.5211 0.0000 0.0000 52117.1124 -109292.8441 299.5178 -161409.9565 -108926.5453 298.8515 56.5898 85.9395 761973.6893 3.6947 3.5422 PRESSURE: 35800 -120.843 -5.58647 6.02586 -5.58696 112.224 -29.9031 6.02593 -29.9043 -24.4689 GPRESSURE: 35800 -63.0407 -70.7202 -0.66502 32.9116 201.016 -77.8166 53.0578 -50.7102 -78.9557 PRESSAVG: 35800 -33.7962 -46.5538 3.0947 -46.5538 27.2461 3.21004 3.09479 3.21004 1.64104 GPRESSAVG: 35800 -33.6692 -46.7295 1.55136 -45.1941 27.2669 4.587 2.7977 4.08249 1.71779 TIMING: 35800 CPU: 112.392, 0.00315251/step Wall: 112.392, 0.00315251/step, 4.34713 hours remaining, 224.687500 MB of memory in use. ENERGY: 35800 3909.5125 20494.4308 14559.1794 241.7518 -203279.4164 2624.0534 0.0000 0.0000 52045.0419 -109405.4465 299.1036 -161450.4885 -109031.6043 298.5090 -11.0291 19.6733 762301.6205 -1.6364 -1.5615 PRESSURE: 36000 -276.029 195.449 264.339 195.448 -372.04 -183.418 264.339 -183.418 -375.896 GPRESSURE: 36000 -179.166 239.264 252.991 229.188 -438.049 -49.0876 335.54 -268.097 -322.333 PRESSAVG: 36000 15.5675 2.21973 3.57179 2.21975 21.8315 0.660996 3.57172 0.661042 2.15007 GPRESSAVG: 36000 15.7999 1.61105 3.76188 1.3058 20.8754 0.432999 3.82332 -0.981043 2.87483 TIMING: 36000 CPU: 113.021, 0.00314711/step Wall: 113.021, 0.00314711/step, 4.33952 hours remaining, 224.687500 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: 36000 4005.5133 20450.9291 14557.1812 267.6880 -202752.7634 2208.8890 0.0000 0.0000 52012.9698 -109249.5929 298.9193 -161262.5627 -108879.4646 299.1949 -341.3217 -313.1829 762508.8800 13.1830 13.1834 PRESSURE: 36200 255.374 -8.79419 -312.522 -8.79428 117.719 220.399 -312.521 220.4 214.996 GPRESSURE: 36200 241.674 18.7985 -253.149 38.0853 121.147 172.748 -320.572 116.533 299.395 PRESSAVG: 36200 42.2923 8.47351 -13.5507 8.47353 -24.5066 21.8274 -13.5506 21.8273 -12.5983 GPRESSAVG: 36200 42.2351 8.7652 -12.7386 10.1595 -24.4258 22.894 -12.4767 23.2161 -12.3884 TIMING: 36200 CPU: 113.65, 0.0031417/step Wall: 113.65, 0.0031417/step, 4.33188 hours remaining, 224.687500 MB of memory in use. ENERGY: 36200 3926.9158 20593.4426 14530.0912 237.4584 -203098.7001 2639.7124 0.0000 0.0000 51961.1690 -109209.9107 298.6216 -161171.0797 -108855.2440 299.4006 196.0298 220.7388 760448.2838 1.7292 1.8070 LDB: ============= START OF LOAD BALANCING ============== 126.101 LDB: ============== END OF LOAD BALANCING =============== 126.102 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.103 LDB: ============= START OF LOAD BALANCING ============== 126.42 LDB: Largest compute 7075 load 0.035582 is 18.3% of average load 0.194413 LDB: Average compute 0.004402 is 2.3% of average load 0.194413 LDB: TIME 126.424 LOAD: AVG 0.194413 MAX 0.208436 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.277 MB LDB: TIME 126.424 LOAD: AVG 0.194413 MAX 0.208436 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.477 MB LDB: TIME 126.424 LOAD: AVG 0.194413 MAX 0.208436 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.477 MB LDB: ============== END OF LOAD BALANCING =============== 126.426 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.431 PRESSURE: 36400 365.301 -134.458 166.064 -134.458 -21.5648 -152.922 166.064 -152.922 -141.905 GPRESSURE: 36400 346.505 -95.191 113.764 -59.7308 2.42231 -210.836 110.246 -44.6993 -92.6194 PRESSAVG: 36400 7.09912 -18.042 13.8416 -18.0421 -72.0055 96.9924 13.8416 96.9922 -5.79339 GPRESSAVG: 36400 6.75936 -17.6545 13.151 -20.9291 -70.9995 96.6936 11.9591 95.6769 -6.35926 TIMING: 36400 CPU: 114.295, 0.00322698/step Wall: 114.295, 0.00322698/step, 4.44929 hours remaining, 224.542969 MB of memory in use. ENERGY: 36400 3947.6643 20527.1111 14522.4744 253.0488 -203574.9887 2855.1666 0.0000 0.0000 52142.5890 -109326.9345 299.6642 -161469.5235 -108965.8418 299.0147 67.2769 85.4359 759422.0815 -23.5666 -23.5331 PRESSURE: 36600 -9.38431 -217.618 -108.291 -217.618 441.244 7.31844 -108.29 7.319 -134.356 GPRESSURE: 36600 45.4947 -254.623 -28.8789 -81.985 416.479 20.5355 52.7699 -175.732 -88.888 PRESSAVG: 36600 -2.30529 -3.45218 44.3424 -3.45211 -2.50034 24.6103 44.3424 24.6103 4.24786 GPRESSAVG: 36600 -1.96314 -3.72644 45.2282 -0.774948 -3.47316 25.1523 45.3952 24.0575 5.21646 TIMING: 36600 CPU: 114.928, 0.00316362/step Wall: 114.928, 0.00316362/step, 4.36175 hours remaining, 224.542969 MB of memory in use. ENERGY: 36600 4049.3595 20308.7497 14468.4969 264.1856 -202930.9910 2561.2508 0.0000 0.0000 51791.8478 -109487.1006 297.6485 -161278.9484 -109128.6425 298.7438 99.1679 124.3620 760134.0611 -0.1859 -0.0733 PRESSURE: 36800 41.4016 -55.0073 -98.7854 -55.0082 -189.192 209.849 -98.7848 209.849 -145.693 GPRESSURE: 36800 87.4571 -90.0842 -112.724 -145.199 -187.993 155.945 -164.224 231.314 -113.893 PRESSAVG: 36800 20.9471 -67.8539 -39.1183 -67.8539 35.1387 8.36855 -39.1183 8.36852 -1.17079 GPRESSAVG: 36800 21.1564 -66.1233 -40.8171 -70.0419 35.5853 7.00627 -38.2041 9.42007 -1.45393 TIMING: 36800 CPU: 115.555, 0.0031375/step Wall: 115.555, 0.0031375/step, 4.32556 hours remaining, 224.542969 MB of memory in use. ENERGY: 36800 4016.8802 20446.9966 14457.7291 242.1771 -203131.3756 2316.9685 0.0000 0.0000 51971.1366 -109679.4875 298.6788 -161650.6241 -109319.3992 298.0851 -97.8277 -71.4765 760025.2358 18.3050 18.4293 PRESSURE: 37000 365.482 -0.939234 41.9125 -0.939668 532.672 -29.8822 41.912 -29.8827 -381.523 GPRESSURE: 37000 410.335 -36.8654 28.8594 30.1419 524.124 -64.1037 65.4212 12.2818 -315.502 PRESSAVG: 37000 -23.6866 12.8464 -14.9027 12.8464 5.93048 -36.7189 -14.9027 -36.7189 4.48558 GPRESSAVG: 37000 -23.6434 11.5113 -14.9963 15.5095 5.35247 -36.0165 -14.3459 -35.807 4.06061 TIMING: 37000 CPU: 116.183, 0.00313845/step Wall: 116.183, 0.00313845/step, 4.3267 hours remaining, 224.542969 MB of memory in use. ENERGY: 37000 3959.9025 20342.5933 14483.5936 244.4448 -203261.4882 2872.3682 0.0000 0.0000 51856.9047 -109501.6811 298.0223 -161358.5858 -109142.2841 298.2765 172.2102 206.3187 760140.5249 -4.4235 -4.7434 PRESSURE: 37200 -183.004 -172.549 45.9908 -172.548 -432.019 -300.48 45.9902 -300.482 543.075 GPRESSURE: 37200 -142.336 -206.06 12.431 -95.3914 -269.468 -265.072 53.6757 -314.507 435.491 PRESSAVG: 37200 -29.4888 -22.9383 10.7937 -22.9382 -6.41462 -12.9071 10.7936 -12.9071 -11.4906 GPRESSAVG: 37200 -30.2566 -22.4099 11.2264 -24.5796 -5.43323 -13.1343 10.1172 -15.2673 -11.8755 TIMING: 37200 CPU: 116.813, 0.00314772/step Wall: 116.813, 0.00314772/step, 4.33931 hours remaining, 224.542969 MB of memory in use. ENERGY: 37200 3964.2213 20380.3433 14488.4960 249.2498 -203045.3121 2493.9449 0.0000 0.0000 52041.2446 -109427.8122 299.0817 -161469.0568 -109058.7705 298.1685 -23.9830 7.8957 760273.4157 -15.7980 -15.8551 PRESSURE: 37400 296.239 108.672 -242.431 108.672 -221.579 152.143 -242.43 152.143 144.384 GPRESSURE: 37400 214.015 86.6903 -194.161 172.452 -137.731 1.179 -229.769 164.004 236.3 PRESSAVG: 37400 89.788 54.5943 -15.3337 54.5943 -68.4359 -31.826 -15.3337 -31.826 2.06813 GPRESSAVG: 37400 91.0056 54.406 -14.1419 54.6962 -69.7125 -33.3098 -16.494 -29.5562 1.33826 TIMING: 37400 CPU: 117.442, 0.00314878/step Wall: 117.442, 0.00314878/step, 4.3406 hours remaining, 224.542969 MB of memory in use. ENERGY: 37400 3958.1818 20444.9630 14539.4651 238.0873 -203438.7103 2726.6332 0.0000 0.0000 52043.1656 -109488.2143 299.0928 -161531.3799 -109125.9374 298.9988 73.0148 104.1945 759999.5723 7.8067 7.5438 PRESSURE: 37600 364.979 26.1433 72.7475 26.144 -5.68829 113.369 72.7472 113.368 263.583 GPRESSURE: 37600 374.366 -25.5207 36.8568 4.98763 31.7193 190.272 48.865 -9.9075 295.236 PRESSAVG: 37600 75.3445 37.0789 19.2009 37.0789 -68.0312 52.0636 19.2008 52.0636 -7.27291 GPRESSAVG: 37600 73.9396 36.6257 18.3726 39.0601 -67.9032 54.8608 20.3872 51.0364 -6.41492 TIMING: 37600 CPU: 118.07, 0.00314063/step Wall: 118.07, 0.00314063/step, 4.32918 hours remaining, 224.542969 MB of memory in use. ENERGY: 37600 4006.5528 20604.5249 14507.4737 249.1951 -203517.4182 2737.5734 0.0000 0.0000 52115.3329 -109296.7655 299.5075 -161412.0983 -108949.0763 298.8955 207.6245 233.7735 759697.0458 0.0135 -0.1262 PRESSURE: 37800 -141.229 50.1228 167.19 50.1221 2.84029 129.392 167.191 129.393 -27.5637 GPRESSURE: 37800 -54.014 142.689 131.015 146.935 26.5563 208.002 144.198 85.3835 -47.3446 PRESSAVG: 37800 1.43188 -9.74878 29.4147 -9.74872 -11.5045 20.5829 29.4147 20.5828 4.58405 GPRESSAVG: 37800 2.70882 -11.6067 29.0169 -8.99505 -11.369 18.5475 29.1613 21.6941 3.38663 TIMING: 37800 CPU: 118.693, 0.00311523/step Wall: 118.693, 0.00311523/step, 4.29399 hours remaining, 224.542969 MB of memory in use. ENERGY: 37800 4054.8167 20427.6526 14566.4487 243.1832 -203711.7584 2914.0125 0.0000 0.0000 52314.5020 -109191.1426 300.6522 -161505.6446 -108830.0254 299.3147 -55.3176 -24.9341 760540.6859 -1.8295 -1.7579 PRESSURE: 38000 502.972 125.505 194.42 125.505 -252.552 -63.4119 194.42 -63.4131 -47.7496 GPRESSURE: 38000 463.454 137.967 250.636 92.8546 -162.596 -75.7791 247.264 117.055 -4.80426 PRESSAVG: 38000 76.4928 7.8222 5.16233 7.82215 -55.2419 4.64472 5.16232 4.6447 -4.38632 GPRESSAVG: 38000 76.802 8.57956 5.37931 5.86221 -56.2259 6.2664 6.58005 5.13343 -3.1617 TIMING: 38000 CPU: 119.319, 0.0031288/step Wall: 119.319, 0.0031288/step, 4.31253 hours remaining, 224.542969 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: 38000 3963.6319 20665.3710 14560.8262 262.0291 -202794.0420 2319.8568 0.0000 0.0000 51805.9329 -109216.3943 297.7294 -161022.3271 -108857.8312 299.6201 67.5568 98.6847 759026.3146 5.6215 5.8048 PRESSURE: 38200 -288.663 16.421 153.769 16.4213 166.238 43.2718 153.768 43.2717 130.471 GPRESSURE: 38200 -150.213 -19.0256 149.337 -37.8754 137.589 29.8746 7.62018 -19.8612 93.8632 PRESSAVG: 38200 -4.82189 59.9257 -20.6945 59.9256 -15.5421 -4.11804 -20.6945 -4.11806 -29.438 GPRESSAVG: 38200 -5.05029 60.047 -20.4671 59.1568 -15.1745 -5.45847 -24.4752 -4.17401 -29.5535 TIMING: 38200 CPU: 119.948, 0.00314402/step Wall: 119.948, 0.00314402/step, 4.33334 hours remaining, 224.542969 MB of memory in use. ENERGY: 38200 3943.9260 20388.3522 14555.1440 264.0788 -203285.7817 2663.7846 0.0000 0.0000 52240.7348 -109229.7613 300.2282 -161470.4961 -108869.5643 299.1418 2.6820 27.0798 761097.1135 -16.6007 -16.5928 PRESSURE: 38400 179.235 -72.1263 -230.77 -72.1271 -222.649 -143.767 -230.771 -143.767 180.875 GPRESSURE: 38400 206.961 -144.902 -244.5 51.1087 -188.185 -67.07 -229.858 -172.68 192.766 PRESSAVG: 38400 -0.890817 68.4966 -10.2211 68.4966 2.02036 -37.249 -10.2211 -37.249 7.70392 GPRESSAVG: 38400 -0.00783493 67.9621 -9.74328 69.7074 2.36814 -35.3532 -8.13711 -39.2139 6.57247 TIMING: 38400 CPU: 120.578, 0.00314945/step Wall: 120.578, 0.00314945/step, 4.34064 hours remaining, 224.542969 MB of memory in use. ENERGY: 38400 3971.4235 20669.7668 14553.8595 244.1486 -203291.5679 2670.3498 0.0000 0.0000 51944.1212 -109237.8985 298.5236 -161182.0196 -108879.2985 299.1833 45.8204 70.5142 761451.6514 2.9445 2.9776 PRESSURE: 38600 -116.978 2.35843 31.2982 2.35817 17.1553 66.1049 31.2989 66.1045 -10.572 GPRESSURE: 38600 -113.168 83.981 34.392 -33.1909 12.3322 71.1006 17.4662 -60.909 80.2515 PRESSAVG: 38600 25.5983 -35.9043 -38.6594 -35.9043 -46.9308 -53.6363 -38.6594 -53.6363 -28.8274 GPRESSAVG: 38600 24.3451 -35.5315 -39.9781 -37.2249 -47.4086 -53.303 -40.3817 -52.2069 -26.6567 TIMING: 38600 CPU: 121.203, 0.0031274/step Wall: 121.203, 0.0031274/step, 4.31008 hours remaining, 224.542969 MB of memory in use. ENERGY: 38600 3964.3247 20399.3759 14565.5093 257.8878 -202872.3542 2409.9923 0.0000 0.0000 51853.6791 -109421.5850 298.0038 -161275.2641 -109060.2997 298.6522 -36.7982 -6.8615 763654.2461 -16.7200 -16.5734 PRESSURE: 38800 -302.664 -342.232 -119.18 -342.233 -370.789 11.3481 -119.18 11.3476 -98.9686 GPRESSURE: 38800 -317.702 -219.967 3.15063 -181.232 -288.454 57.6113 -65.5646 -40.9103 -72.4607 PRESSAVG: 38800 7.37949 -51.5387 -31.9005 -51.5387 -38.4227 15.0575 -31.9004 15.0576 18.2497 GPRESSAVG: 38800 6.51564 -50.5605 -29.6062 -50.2582 -36.7555 13.8282 -31.9041 14.2984 17.4612 TIMING: 38800 CPU: 121.83, 0.0031322/step Wall: 121.83, 0.0031322/step, 4.31652 hours remaining, 224.542969 MB of memory in use. ENERGY: 38800 4040.8393 20465.5928 14548.5497 248.5973 -203173.5375 2384.6351 0.0000 0.0000 52117.6020 -109367.7213 299.5206 -161485.3233 -109000.8672 299.0750 -257.4740 -226.2058 760483.9977 -4.2645 -4.2596 PRESSURE: 39000 68.0675 -8.81444 -52.9968 -8.81269 -26.7438 -177.728 -52.9975 -177.726 -116.964 GPRESSURE: 39000 103.78 -135.176 -42.7219 14.0912 15.8217 -250.305 -174.09 -191.533 -105.561 PRESSAVG: 39000 66.0779 -37.2913 -21.7981 -37.2913 -97.4047 -52.1253 -21.7982 -52.1254 8.29623 GPRESSAVG: 39000 67.1485 -39.4477 -22.0062 -35.7518 -98.2284 -52.2745 -20.2819 -51.7754 8.31736 TIMING: 39000 CPU: 122.458, 0.00313945/step Wall: 122.458, 0.00313945/step, 4.32634 hours remaining, 224.542969 MB of memory in use. ENERGY: 39000 4044.5873 20435.9593 14506.9323 235.6557 -203719.7372 2866.3419 0.0000 0.0000 52029.3699 -109600.8907 299.0135 -161630.2606 -109234.7102 299.1238 -25.2133 4.6800 761579.5157 -7.6769 -7.5875 PRESSURE: 39200 -111.906 94.5261 171.77 94.527 12.8604 202.216 171.769 202.215 69.4417 GPRESSURE: 39200 46.5854 13.7349 110.535 114.639 -39.797 215.409 14.9541 245.131 62.1514 PRESSAVG: 39200 15.0231 26.4393 32.8507 26.4393 -42.3441 -53.936 32.8507 -53.936 11.8345 GPRESSAVG: 39200 15.4727 26.1219 30.7769 24.8324 -43.2232 -54.1687 31.0328 -52.5224 12.2641 TIMING: 39200 CPU: 123.087, 0.0031464/step Wall: 123.087, 0.0031464/step, 4.33574 hours remaining, 224.542969 MB of memory in use. ENERGY: 39200 3919.3389 20477.3200 14445.9574 265.9118 -203720.2261 2813.4727 0.0000 0.0000 52123.3177 -109674.9076 299.5534 -161798.2253 -109322.9573 298.3538 -9.8678 22.9799 761627.3823 -5.1622 -5.1621 PRESSURE: 39400 -16.9531 51.6318 -91.1718 51.6319 -365.761 51.2285 -91.1715 51.2294 46.6728 GPRESSURE: 39400 50.8008 -34.1931 -108.276 -59.2507 -324.186 46.4416 -0.605776 16.9971 26.1542 PRESSAVG: 39400 13.1115 21.4172 5.71816 21.4172 -20.3041 3.41134 5.71823 3.41136 -5.10102 GPRESSAVG: 39400 13.2286 22.3728 7.26956 21.4409 -19.6571 3.1628 5.31808 2.1302 -5.77709 TIMING: 39400 CPU: 123.715, 0.00313923/step Wall: 123.715, 0.00313923/step, 4.32568 hours remaining, 224.542969 MB of memory in use. ENERGY: 39400 4021.9533 20400.1070 14423.4670 248.6439 -203257.0469 2431.2547 0.0000 0.0000 51861.9526 -109869.6685 298.0514 -161731.6211 -109516.7760 298.2182 -112.0138 -82.4104 762407.8301 -4.0979 -4.0685 PRESSURE: 39600 -36.4888 14.3526 -36.8528 14.3526 139.093 46.9123 -36.8523 46.9129 291.558 GPRESSURE: 39600 84.6149 -15.4603 48.6734 15.9841 136.111 -31.4267 -32.3614 109.715 250.097 PRESSAVG: 39600 -35.0765 -27.0966 -3.1363 -27.0965 11.8694 11.221 -3.13628 11.221 11.393 GPRESSAVG: 39600 -34.5322 -26.7291 -2.32235 -28.4458 11.4875 11.0824 -0.915929 10.7496 11.0898 TIMING: 39600 CPU: 124.342, 0.00313611/step Wall: 124.342, 0.00313611/step, 4.32121 hours remaining, 224.542969 MB of memory in use. ENERGY: 39600 3959.5049 20457.3749 14459.6690 270.4047 -203708.8235 2689.8217 0.0000 0.0000 51752.5893 -110119.4590 297.4228 -161872.0483 -109768.6079 297.5753 131.3876 156.9408 760131.2437 -3.9380 -3.9850 PRESSURE: 39800 -106.784 -36.9679 35.4266 -36.9681 -432.408 -100.493 35.4269 -100.492 78.5152 GPRESSURE: 39800 -60.2892 -72.3488 -15.3743 -5.39082 -300.801 -131.431 -98.2489 80.8322 -15.7837 PRESSAVG: 39800 -12.0468 5.08609 -16.2036 5.08613 19.7583 5.06452 -16.2035 5.06458 -5.855 GPRESSAVG: 39800 -13.259 4.08145 -16.7503 7.8952 20.6775 4.40645 -19.0166 6.43724 -5.82153 TIMING: 39800 CPU: 124.97, 0.00314121/step Wall: 124.97, 0.00314121/step, 4.32807 hours remaining, 224.542969 MB of memory in use. ENERGY: 39800 3976.2350 20305.9601 14536.6293 261.9399 -203108.7298 2435.3173 0.0000 0.0000 51585.7209 -110006.9272 296.4638 -161592.6481 -109638.3095 297.5528 -153.5587 -125.6248 761131.3220 0.6188 0.5323 PRESSURE: 40000 137.4 -78.6326 246.653 -78.6332 10.8484 -233.464 246.652 -233.465 -131.787 GPRESSURE: 40000 79.121 -137.682 171.782 -53.9772 141.016 -233.694 343.167 -198.785 -128.397 PRESSAVG: 40000 35.6473 3.40343 24.8315 3.40345 -46.7317 -35.5539 24.8315 -35.554 8.69817 GPRESSAVG: 40000 36.8136 3.35324 26.0612 2.34912 -47.4671 -34.5625 26.4542 -36.8131 7.9728 TIMING: 40000 CPU: 125.597, 0.00313273/step Wall: 125.597, 0.00313273/step, 4.31621 hours remaining, 224.542969 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: 40000 3934.0078 20609.7218 14360.5514 260.2471 -203134.6327 2232.6318 0.0000 0.0000 51812.6973 -109924.7755 297.7683 -161737.4727 -109568.1651 297.6598 5.4871 30.5800 760912.9087 -0.7954 -0.8936 PRESSURE: 40200 64.8312 36.6937 -27.0546 36.6935 176.638 -230.391 -27.055 -230.392 -48.3723 GPRESSURE: 40200 207.899 123.514 -66.6622 107.076 118.433 -187.848 -109.416 -263.729 -42.7644 PRESSAVG: 40200 48.8038 -19.8798 41.4836 -19.8796 -13.4931 -64.2607 41.4836 -64.2607 -24.6173 GPRESSAVG: 40200 48.5355 -18.5824 41.2765 -20.5471 -13.7679 -65.7541 41.3198 -65.2836 -23.8409 TIMING: 40200 CPU: 126.225, 0.00314001/step Wall: 126.225, 0.00314001/step, 4.32606 hours remaining, 224.542969 MB of memory in use. ENERGY: 40200 3942.7110 20373.5989 14446.2863 253.4475 -203175.2441 2307.3261 0.0000 0.0000 51939.0824 -109912.7920 298.4946 -161851.8744 -109554.6935 297.7471 64.3656 94.5226 760854.3930 3.5645 3.6422 LDB: ============= START OF LOAD BALANCING ============== 138.674 LDB: ============== END OF LOAD BALANCING =============== 138.674 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 138.676 LDB: ============= START OF LOAD BALANCING ============== 138.99 LDB: Largest compute 7075 load 0.035866 is 18.4% of average load 0.194531 LDB: Average compute 0.004410 is 2.3% of average load 0.194531 LDB: TIME 138.993 LOAD: AVG 0.194531 MAX 0.212908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.824 MB LDB: TIME 138.993 LOAD: AVG 0.194531 MAX 0.212908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.824 MB LDB: TIME 138.994 LOAD: AVG 0.194531 MAX 0.212908 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.824 MB LDB: ============== END OF LOAD BALANCING =============== 138.996 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 139 PRESSURE: 40400 -313.589 -158.948 67.0462 -158.949 -267.326 -37.1967 67.0471 -37.1982 114.591 GPRESSURE: 40400 -236.652 -145.083 132.659 -128.96 -207.482 -67.021 66.3005 -56.3022 75.6183 PRESSAVG: 40400 50.7508 -23.9582 -21.6594 -23.9582 -59.4137 -60.0981 -21.6594 -60.098 16.9165 GPRESSAVG: 40400 49.8653 -24.449 -21.6872 -22.8396 -58.4503 -59.5485 -23.7607 -57.3611 16.9547 TIMING: 40400 CPU: 126.864, 0.0031976/step Wall: 126.864, 0.0031976/step, 4.40522 hours remaining, 225.117188 MB of memory in use. ENERGY: 40400 3940.1282 20440.4512 14469.6462 256.1153 -203111.3954 2291.9563 0.0000 0.0000 51758.6182 -109954.4800 297.4575 -161713.0982 -109589.1947 298.0836 -155.4417 -122.8388 761086.1630 2.7512 2.7899 PRESSURE: 40600 85.6477 84.9317 -93.8301 84.9316 87.5131 74.0872 -93.8299 74.0867 -205.565 GPRESSURE: 40600 23.0998 72.5466 -20.6127 198.471 165.331 122.927 -62.8531 -67.0909 -147.01 PRESSAVG: 40600 65.5973 -16.5078 11.7348 -16.5078 -28.6075 -10.0781 11.7349 -10.0782 -0.470895 GPRESSAVG: 40600 66.4056 -13.8077 11.28 -19.4652 -29.6514 -9.45222 15.309 -10.5901 -0.550681 TIMING: 40600 CPU: 127.492, 0.00314049/step Wall: 127.492, 0.00314049/step, 4.32638 hours remaining, 225.320312 MB of memory in use. ENERGY: 40600 4033.2172 20510.5233 14438.2656 263.2140 -203193.1293 2393.4926 0.0000 0.0000 51509.6311 -110044.7855 296.0266 -161554.4165 -109694.8828 297.2638 -10.8015 13.8068 761115.0626 12.1730 12.0679 PRESSURE: 40800 334.188 83.1978 -38.1636 83.1966 366.9 -138.906 -38.163 -138.907 415.518 GPRESSURE: 40800 378.839 156.97 -25.1881 21.8789 337.061 -118.517 -60.1262 -158.875 498.621 PRESSAVG: 40800 41.2949 -50.3505 -6.56014 -50.3506 32.7229 -26.3001 -6.5601 -26.3002 16.0807 GPRESSAVG: 40800 41.3122 -53.855 -6.46729 -49.002 31.5384 -27.694 -8.47937 -27.0466 16.7908 TIMING: 40800 CPU: 128.118, 0.0031264/step Wall: 128.118, 0.0031264/step, 4.30679 hours remaining, 225.320312 MB of memory in use. ENERGY: 40800 3941.1306 20287.9407 14453.4342 255.7598 -204157.1579 3030.8770 0.0000 0.0000 51894.1407 -110293.8749 298.2363 -162188.0157 -109929.1559 297.2976 372.2019 404.8403 758402.8144 30.0328 29.8805 PRESSURE: 41000 -295.072 -23.7437 133.126 -23.7431 32.7927 -207.711 133.126 -207.712 57.534 GPRESSURE: 41000 -204.987 -20.208 120.273 -82.2749 168.653 -150.758 101.537 -48.1519 -86.9671 PRESSAVG: 41000 33.3443 -40.2633 -66.6984 -40.2633 -33.2871 -31.9982 -66.6985 -31.9982 11.3376 GPRESSAVG: 41000 33.4684 -38.8829 -66.0394 -41.9242 -32.9873 -30.5599 -68.1632 -31.072 10.407 TIMING: 41000 CPU: 128.745, 0.003135/step Wall: 128.745, 0.003135/step, 4.31847 hours remaining, 225.320312 MB of memory in use. ENERGY: 41000 3920.9841 20576.9631 14456.9645 244.1264 -203382.9340 2463.8127 0.0000 0.0000 51381.0192 -110339.0641 295.2874 -161720.0833 -109976.4380 297.5228 -68.2483 -41.1006 761882.8140 3.7982 3.6294 PRESSURE: 41200 -154.208 -260.209 -286.497 -260.208 -95.6965 -19.9159 -286.497 -19.916 -25.9649 GPRESSURE: 41200 -209.426 -222.45 -321.971 -247.509 -78.5732 -29.707 -183.484 -120.306 98.5376 PRESSAVG: 41200 -12.5722 -30.2775 -12.8052 -30.2775 9.95047 6.05653 -12.8052 6.05654 -8.30925 GPRESSAVG: 41200 -13.9144 -31.939 -12.7203 -28.8927 10.4635 7.33281 -10.5926 5.48354 -7.30408 TIMING: 41200 CPU: 129.375, 0.0031528/step Wall: 129.375, 0.0031528/step, 4.34281 hours remaining, 225.320312 MB of memory in use. ENERGY: 41200 4029.4301 20356.3910 14462.4239 261.4149 -203447.3140 2465.9253 0.0000 0.0000 51562.0294 -110309.6995 296.3277 -161871.7289 -109953.1985 296.6271 -91.9565 -63.1538 762046.5332 -3.6437 -3.5850 PRESSURE: 41400 281.381 -154.292 -66.8353 -154.292 207.186 -49.5225 -66.8348 -49.5226 -198.649 GPRESSURE: 41400 330.737 -118.53 -154.655 -173.994 278.757 -61.8647 -11.2366 -135.529 -231.034 PRESSAVG: 41400 38.7378 -56.0347 15.2929 -56.0346 0.402743 -35.3208 15.2929 -35.3207 -23.6164 GPRESSAVG: 41400 39.3818 -55.8257 15.4684 -53.4829 0.534792 -37.3143 14.12 -34.491 -24.6274 TIMING: 41400 CPU: 130.006, 0.00315601/step Wall: 130.006, 0.00315601/step, 4.34706 hours remaining, 225.320312 MB of memory in use. ENERGY: 41400 3881.7440 20474.0899 14428.0509 229.2363 -203315.7405 2353.5681 0.0000 0.0000 51638.4111 -110310.6401 296.7667 -161949.0512 -109958.5092 296.6281 96.6394 126.1533 760670.4955 5.1747 5.0964 PRESSURE: 41600 -175.765 -48.7204 76.5527 -48.7204 27.9285 -70.849 76.5525 -70.85 162.358 GPRESSURE: 41600 -120.844 -220.608 153.503 -62.6671 48.9344 -56.7691 -69.8066 -57.7515 166.91 PRESSAVG: 41600 60.8126 -27.311 -66.278 -27.3109 -1.04857 -68.0951 -66.278 -68.0951 3.49189 GPRESSAVG: 41600 60.1585 -26.392 -67.5144 -29.1592 0.0790637 -67.6478 -64.926 -69.4008 2.69841 TIMING: 41600 CPU: 130.637, 0.0031541/step Wall: 130.637, 0.0031541/step, 4.34424 hours remaining, 225.320312 MB of memory in use. ENERGY: 41600 3926.2454 20479.0474 14500.7013 240.7713 -203479.0520 2376.3929 0.0000 0.0000 51684.0170 -110271.8767 297.0288 -161955.8936 -109924.7624 297.3445 4.8407 31.6668 760047.6271 21.0853 20.9786 PRESSURE: 41800 83.7245 181.384 53.088 181.385 180.685 125.535 53.0884 125.534 -61.9377 GPRESSURE: 41800 141.565 153.745 48.7454 177.637 153.869 247.932 -61.4523 87.4404 -8.52565 PRESSAVG: 41800 17.2403 28.6912 -31.67 28.6912 33.1722 -29.9318 -31.6699 -29.9318 6.08466 GPRESSAVG: 41800 17.1945 26.4508 -31.6991 31.1437 31.7816 -30.2039 -31.2613 -28.2198 7.58509 TIMING: 41800 CPU: 131.269, 0.00315906/step Wall: 131.269, 0.00315906/step, 4.35091 hours remaining, 225.320312 MB of memory in use. ENERGY: 41800 3930.9425 20369.0352 14598.2684 245.8829 -203698.1117 2602.1422 0.0000 0.0000 51860.9507 -110090.8897 298.0456 -161951.8405 -109725.0043 297.2135 67.4906 95.6363 760511.3043 18.8324 18.8537 PRESSURE: 42000 -141.853 -173.597 -2.96218 -173.598 -117.435 218.973 -2.96218 218.974 -237.533 GPRESSURE: 42000 -48.142 -137.501 -24.5128 -132.596 -84.7538 246.278 61.0335 36.5455 -286.003 PRESSAVG: 42000 -0.529255 -0.583236 -10.6681 -0.58324 22.4914 -34.2827 -10.6681 -34.2827 9.5337 GPRESSAVG: 42000 1.51438 1.66643 -11.4225 -3.4782 21.9228 -33.4328 -10.4219 -33.2406 7.93839 TIMING: 42000 CPU: 131.897, 0.003139/step Wall: 131.897, 0.003139/step, 4.3231 hours remaining, 225.320312 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: 42000 3922.5869 20383.2526 14447.3634 241.5054 -203249.9288 2396.7551 0.0000 0.0000 51699.0507 -110159.4148 297.1152 -161858.4654 -109793.1826 297.6887 -165.6070 -139.6329 761681.7231 10.4986 10.4585 PRESSURE: 42200 -373.588 107.498 48.4979 107.498 -342.606 -154.661 48.4982 -154.661 -188.339 GPRESSURE: 42200 -382.388 37.8768 78.3721 174.166 -228.986 -167.137 54.0343 -112.46 -201.149 PRESSAVG: 42200 -13.3357 -26.2618 17.5061 -26.2618 -9.76737 -16.6003 17.5061 -16.6004 11.388 GPRESSAVG: 42200 -14.6342 -24.4431 18.5333 -26.9555 -8.18255 -15.8721 16.8164 -19.6674 11.2684 TIMING: 42200 CPU: 132.525, 0.00314085/step Wall: 132.525, 0.00314085/step, 4.32548 hours remaining, 225.320312 MB of memory in use. ENERGY: 42200 3975.2665 20296.2459 14467.8169 240.1238 -203221.6302 2384.8484 0.0000 0.0000 51793.3868 -110063.9419 297.6573 -161857.3287 -109704.1280 298.2907 -301.5107 -270.8411 761355.5029 -3.9050 -3.8495 PRESSURE: 42400 162.033 -193.561 -60.2827 -193.562 -280.742 184.234 -60.283 184.235 96.3588 GPRESSURE: 42400 125.172 -113.524 -161.173 -188.206 -107.243 69.7718 56.0326 197.809 51.0948 PRESSAVG: 42400 93.1732 -33.3387 4.13405 -33.3388 -72.3393 -2.72527 4.13398 -2.72526 -18.6353 GPRESSAVG: 42400 91.6188 -34.1724 3.18595 -32.4543 -71.4927 -5.06493 5.60488 -2.2172 -18.5193 TIMING: 42400 CPU: 133.153, 0.00313747/step Wall: 133.153, 0.00313746/step, 4.32064 hours remaining, 225.320312 MB of memory in use. ENERGY: 42400 3891.7589 20404.5371 14524.0079 249.5682 -203623.9327 2634.2307 0.0000 0.0000 51956.5359 -109963.2940 298.5949 -161919.8299 -109600.3981 297.2742 -7.4501 23.0079 761766.5551 0.7329 0.5356 PRESSURE: 42600 -283.325 -110.105 -52.1599 -110.105 -1.26966 -73.3003 -52.1604 -73.2997 28.6474 GPRESSURE: 42600 -216.364 -84.9427 -41.4892 -134.182 35.4718 -9.27663 -129.39 -65.7631 7.40882 PRESSAVG: 42600 -47.4972 -38.3383 5.53354 -38.3382 27.0491 40.9262 5.53344 40.9262 -1.90878 GPRESSAVG: 42600 -47.1305 -39.0822 6.48098 -37.2794 25.9605 43.406 3.82656 41.2867 -1.49998 TIMING: 42600 CPU: 133.783, 0.00315333/step Wall: 133.783, 0.00315333/step, 4.34231 hours remaining, 225.320312 MB of memory in use. ENERGY: 42600 3983.9290 20450.9574 14476.3309 237.4295 -203847.2922 2715.3368 0.0000 0.0000 51893.5010 -110089.8075 298.2327 -161983.3085 -109727.0959 298.1119 -85.3158 -57.8277 761419.7935 -7.4523 -7.5566 PRESSURE: 42800 30.1505 -34.8135 -221.635 -34.8143 -154.325 -134.458 -221.635 -134.457 -83.2411 GPRESSURE: 42800 45.9396 -116.544 -216.024 -79.1403 -156.389 -139.604 -246.863 -262.438 -20.683 PRESSAVG: 42800 46.642 -40.1219 -4.93064 -40.1219 -36.0569 -4.561 -4.93065 -4.56106 -9.92967 GPRESSAVG: 42800 46.0668 -42.5369 -4.74922 -40.4724 -37.1897 -5.0164 -6.30776 -6.04051 -8.49905 TIMING: 42800 CPU: 134.409, 0.00313095/step Wall: 134.409, 0.00313095/step, 4.31132 hours remaining, 225.320312 MB of memory in use. ENERGY: 42800 3932.8745 20267.1950 14550.0767 248.5948 -203624.3263 2645.5420 0.0000 0.0000 52074.1288 -109905.9144 299.2707 -161980.0432 -109541.7270 297.5294 -69.1387 -43.7109 763101.7702 0.2185 0.1260 PRESSURE: 43000 251.013 -114.468 97.1288 -114.468 357.295 427.988 97.1286 427.987 112.581 GPRESSURE: 43000 366.977 -62.6506 144.714 -201.989 375.439 390.397 125.981 476.86 68.4436 PRESSAVG: 43000 -63.8725 31.5515 7.04415 31.5515 60.0823 51.9255 7.04412 51.9255 -0.318881 GPRESSAVG: 43000 -63.7317 33.0139 6.71716 29.2931 61.1736 49.3166 9.01911 53.1973 -1.69162 TIMING: 43000 CPU: 135.037, 0.00314018/step Wall: 135.037, 0.00314018/step, 4.32385 hours remaining, 225.320312 MB of memory in use. ENERGY: 43000 3911.0655 20383.4483 14482.7499 258.0247 -203892.9606 3164.6293 0.0000 0.0000 51783.3371 -109909.7058 297.5996 -161693.0429 -109551.3044 297.9736 240.2964 270.2863 762232.6043 -1.3697 -1.4166 PRESSURE: 43200 441.062 39.1982 75.2386 39.1984 -79.5283 -125.145 75.238 -125.145 267.725 GPRESSURE: 43200 483.535 121.596 62.8324 -17.3059 -27.2173 -129.806 -81.3801 -249.783 253.422 PRESSAVG: 43200 18.5216 -9.79656 -41.3945 -9.79662 -1.63473 0.555903 -41.3945 0.555874 1.5456 GPRESSAVG: 43200 18.7364 -7.10395 -41.207 -8.86856 -2.00808 1.81432 -42.7398 -0.674436 2.07634 TIMING: 43200 CPU: 135.664, 0.00313127/step Wall: 135.664, 0.00313127/step, 4.31142 hours remaining, 225.320312 MB of memory in use. ENERGY: 43200 3866.1984 20522.5635 14502.7003 245.1754 -203559.3513 2823.6306 0.0000 0.0000 51837.7299 -109761.3532 297.9121 -161599.0831 -109414.2246 297.9256 209.7529 236.5797 761842.9184 6.1441 6.2682 PRESSURE: 43400 113.059 -83.5468 166.916 -83.5465 137.362 -279.457 166.916 -279.456 520.451 GPRESSURE: 43400 232.717 20.7963 58.8825 -120.824 176.463 -240.391 151.854 -170.184 446.964 PRESSAVG: 43400 13.0873 -12.7251 53.176 -12.7251 -21.6798 -38.5244 53.1759 -38.5243 8.72783 GPRESSAVG: 43400 12.9206 -14.408 54.096 -11.2604 -21.5737 -38.2946 52.8379 -37.7188 8.31115 TIMING: 43400 CPU: 136.29, 0.00313135/step Wall: 136.29, 0.00313135/step, 4.31135 hours remaining, 225.320312 MB of memory in use. ENERGY: 43400 3961.3113 20425.9422 14434.2381 232.2441 -203667.3024 3002.9539 0.0000 0.0000 52031.9190 -109578.6938 299.0282 -161610.6128 -109224.9851 298.5806 256.9572 285.3813 761349.5020 0.0451 -0.1140 PRESSURE: 43600 389.382 -255.339 -44.5039 -255.339 443.323 79.5517 -44.5038 79.5517 138.649 GPRESSURE: 43600 385.934 -269.789 -47.7128 -156.909 507.693 77.2939 -102.314 173.553 136.461 PRESSAVG: 43600 42.5616 -18.8201 -22.2255 -18.8201 -9.74139 -6.08743 -22.2254 -6.08747 4.09859 GPRESSAVG: 43600 42.1285 -22.3578 -24.0591 -17.5943 -9.17723 -6.24047 -21.7153 -5.12446 3.96683 TIMING: 43600 CPU: 136.92, 0.00314891/step Wall: 136.92, 0.00314891/step, 4.33535 hours remaining, 225.320312 MB of memory in use. ENERGY: 43600 4001.3591 20593.8664 14424.5739 246.7377 -204172.5664 3152.4900 0.0000 0.0000 52100.6204 -109652.9189 299.4230 -161753.5394 -109285.7324 298.9422 323.7847 343.3630 760234.5563 12.3063 12.3060 PRESSURE: 43800 392.782 -47.3631 184.668 -47.3629 -30.073 -12.1554 184.669 -12.1551 319.871 GPRESSURE: 43800 446.751 -49.198 156.114 7.62224 39.94 -34.1967 329.102 10.8057 263.603 PRESSAVG: 43800 7.33627 3.2549 -20.7076 3.25492 5.2013 -39.5106 -20.7076 -39.5106 9.08977 GPRESSAVG: 43800 7.13894 5.45008 -19.5002 3.91364 4.72538 -39.0865 -21.0777 -40.4799 10.0054 TIMING: 43800 CPU: 137.546, 0.0031297/step Wall: 137.546, 0.0031297/step, 4.30873 hours remaining, 225.320312 MB of memory in use. ENERGY: 43800 4053.6440 20507.9560 14447.8856 224.9462 -203519.2267 2732.7880 0.0000 0.0000 51806.4801 -109745.5269 297.7326 -161552.0070 -109386.0342 298.4312 227.5264 250.0981 762064.2390 7.2091 7.2899 PRESSURE: 44000 107.85 -96.2689 44.6098 -96.2681 37.9487 59.9062 44.6085 59.9058 -295.733 GPRESSURE: 44000 78.9708 -115.28 82.251 -76.3506 109.289 62.5829 27.6406 -35.0219 -274.909 PRESSAVG: 44000 2.29769 -9.5769 13.0612 -9.57695 -12.1451 -53.2301 13.0611 -53.2302 34.538 GPRESSAVG: 44000 2.46324 -11.245 13.1295 -10.5861 -12.314 -54.2763 14.7027 -53.2667 34.047 TIMING: 44000 CPU: 138.169, 0.00311504/step Wall: 138.169, 0.00311504/step, 4.28837 hours remaining, 225.320312 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: 44000 3937.8297 20440.5652 14493.4048 241.3713 -203666.3316 2810.9526 0.0000 0.0000 51996.1882 -109746.0197 298.8228 -161742.2079 -109386.3551 298.6205 -49.9781 -28.8831 760958.7175 8.2302 8.0654 PRESSURE: 44200 291.465 -70.585 20.3281 -70.5852 190.975 -30.9068 20.3265 -30.9075 58.6415 GPRESSURE: 44200 310.138 -113.127 29.6384 39.5519 302.55 -25.9887 88.2361 -46.2603 -5.40378 PRESSAVG: 44200 25.9886 -78.946 -20.1624 -78.946 -55.3599 -83.095 -20.1624 -83.095 -6.46615 GPRESSAVG: 44200 25.8536 -77.188 -20.3133 -79.54 -54.4153 -83.9147 -19.4748 -84.7071 -7.10593 TIMING: 44200 CPU: 138.796, 0.00313674/step Wall: 138.796, 0.00313674/step, 4.31807 hours remaining, 225.320312 MB of memory in use. ENERGY: 44200 3922.9818 20561.1828 14557.9283 247.2770 -203569.2935 2849.5284 0.0000 0.0000 51888.8848 -109541.5104 298.2061 -161430.3952 -109180.4820 298.8143 180.3604 202.4280 759981.7358 -11.9458 -11.8892 LDB: ============= START OF LOAD BALANCING ============== 151.246 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 151.247 LDB: =============== DONE WITH MIGRATION ================ 151.248 LDB: ============= START OF LOAD BALANCING ============== 151.561 LDB: Largest compute 7076 load 0.035358 is 18.2% of average load 0.194531 LDB: Average compute 0.004382 is 2.3% of average load 0.194531 LDB: TIME 151.564 LOAD: AVG 0.194531 MAX 0.21028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225 MB LDB: TIME 151.564 LOAD: AVG 0.194531 MAX 0.21028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225 MB LDB: TIME 151.564 LOAD: AVG 0.194531 MAX 0.21028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225 MB LDB: ============== END OF LOAD BALANCING =============== 151.566 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 151.571 PRESSURE: 44400 22.7805 -31.0914 43.4838 -31.0927 -37.7752 -60.692 43.484 -60.6915 17.6911 GPRESSURE: 44400 76.7112 -66.9899 108.731 -24.6225 40.2882 -16.9777 47.4888 -142.766 -33.4157 PRESSAVG: 44400 -5.28718 -43.7225 -17.1564 -43.7225 -2.36424 -87.1902 -17.1563 -87.1902 -9.93055 GPRESSAVG: 44400 -5.67364 -46.0409 -16.8144 -43.0244 -3.19319 -86.3078 -19.7052 -84.6973 -8.38526 TIMING: 44400 CPU: 139.436, 0.00319785/step Wall: 139.436, 0.00319785/step, 4.40201 hours remaining, 225.000000 MB of memory in use. ENERGY: 44400 4089.2108 20465.4442 14500.1006 240.2662 -203370.6900 2660.6120 0.0000 0.0000 51834.0761 -109580.9801 297.8911 -161415.0562 -109213.3091 298.8338 0.8988 27.8612 759390.3076 -5.8607 -5.7507 PRESSURE: 44600 -222.144 -126.833 -49.7578 -126.832 -113.212 -11.6279 -49.7574 -11.6281 -293.586 GPRESSURE: 44600 -201.702 -49.574 -145.848 -93.737 -130.583 101.534 -104.436 -98.7467 -214.494 PRESSAVG: 44600 -10.56 0.580695 -6.3709 0.58072 -23.8427 -6.61294 -6.37097 -6.61298 -9.57126 GPRESSAVG: 44600 -9.4523 1.15106 -7.41176 -0.379817 -23.6785 -5.34321 -4.33885 -9.95052 -10.4746 TIMING: 44600 CPU: 140.058, 0.00311264/step Wall: 140.058, 0.00311264/step, 4.28455 hours remaining, 225.000000 MB of memory in use. ENERGY: 44600 4077.5912 20637.3533 14411.8153 263.2075 -203289.5534 2293.9974 0.0000 0.0000 52010.1109 -109595.4778 298.9028 -161605.5887 -109231.6068 299.3657 -209.6475 -182.2599 760849.1296 -14.6580 -14.5352 PRESSURE: 44800 31.2463 -98.0954 47.7201 -98.096 -349.566 -72.7846 47.7203 -72.7846 -161.951 GPRESSURE: 44800 134.642 -55.3879 -25.8173 -124.145 -402.444 38.8508 73.9937 -140.429 -128.955 PRESSAVG: 44800 -22.8983 5.86386 7.33614 5.8639 2.71102 -43.4511 7.3362 -43.4511 37.4441 GPRESSAVG: 44800 -21.8429 7.9989 7.1673 5.57288 2.03886 -45.1219 8.32294 -42.9451 37.1963 TIMING: 44800 CPU: 140.683, 0.00312586/step Wall: 140.683, 0.00312586/step, 4.30257 hours remaining, 225.000000 MB of memory in use. ENERGY: 44800 4022.4298 20649.3559 14499.5978 250.3406 -203400.2516 2410.6277 0.0000 0.0000 52053.5794 -109514.3204 299.1526 -161567.8998 -109157.9651 298.6402 -160.0904 -132.2524 759406.2961 5.7523 5.7974 PRESSURE: 45000 -147.001 -132.231 346.533 -132.23 339.5 79.2573 346.533 79.2561 40.558 GPRESSURE: 45000 -168.518 -96.4467 363.688 -113.758 332.246 89.1355 217.759 2.65403 135.416 PRESSAVG: 45000 -34.5142 11.7511 -21.1284 11.7511 43.0619 -19.1798 -21.1284 -19.1799 -2.94879 GPRESSAVG: 45000 -35.2951 13.8229 -20.7062 10.577 42.3041 -19.0324 -24.0655 -18.4579 -2.01304 TIMING: 45000 CPU: 141.306, 0.00311499/step Wall: 141.306, 0.00311499/step, 4.28744 hours remaining, 225.000000 MB of memory in use. ENERGY: 45000 3937.2034 20669.7948 14514.3916 227.1121 -203539.6877 2857.8387 0.0000 0.0000 51933.9863 -109399.3609 298.4653 -161333.3472 -109038.1954 299.0829 77.6859 99.7147 759947.8937 1.8663 1.6653 PRESSURE: 45200 -163.717 136.108 231.565 136.108 28.0682 156.587 231.566 156.586 28.7912 GPRESSURE: 45200 -53.0144 116.786 282.733 112.963 37.4494 158.132 294.679 240.617 16.9863 PRESSAVG: 45200 -13.3011 10.448 46.226 10.448 3.61492 0.671295 46.226 0.671289 10.6537 GPRESSAVG: 45200 -14.0912 6.19599 46.3056 11.5132 5.04878 0.514959 48.9209 -0.181624 9.86107 TIMING: 45200 CPU: 141.932, 0.00312933/step Wall: 141.932, 0.00312933/step, 4.307 hours remaining, 225.000000 MB of memory in use. ENERGY: 45200 4013.8749 20645.2886 14483.2475 247.1000 -202903.4495 2378.1168 0.0000 0.0000 51871.3664 -109264.4553 298.1055 -161135.8217 -108905.3602 299.6382 -35.6191 0.4738 761357.3097 0.3225 0.2729 PRESSURE: 45400 -347.741 14.442 -204.385 14.4423 -398.204 331.784 -204.385 331.783 45.3656 GPRESSURE: 45400 -206.239 116.731 -161.872 -36.8173 -382.979 395.318 -14.4931 371.5 -32.4233 PRESSAVG: 45400 -18.6595 -36.4376 51.146 -36.4376 16.9855 -1.35294 51.146 -1.35295 3.47566 GPRESSAVG: 45400 -19.3766 -35.6054 51.6493 -36.7061 16.3317 -0.965319 49.8562 -1.38124 4.73446 TIMING: 45400 CPU: 142.558, 0.00313005/step Wall: 142.558, 0.00313005/step, 4.30782 hours remaining, 225.000000 MB of memory in use. ENERGY: 45400 4029.8905 20527.9957 14397.4117 235.0861 -202913.2880 2444.3253 0.0000 0.0000 51750.9242 -109527.6546 297.4133 -161278.5787 -109171.4421 299.2576 -233.5266 -207.2138 763301.2609 0.6005 0.5632 PRESSURE: 45600 -69.1988 -20.6447 4.27272 -20.6448 36.7894 54.8135 4.27279 54.815 -217.16 GPRESSURE: 45600 48.6905 -68.0308 -23.013 -22.3894 48.4066 2.6419 37.663 93.6136 -252.815 PRESSAVG: 45600 3.1908 12.5534 12.1392 12.5535 10.2522 7.3053 12.1391 7.30516 26.5891 GPRESSAVG: 45600 5.43605 11.9546 12.4379 13.3655 9.64528 4.85004 11.7912 9.60476 25.5019 TIMING: 45600 CPU: 143.185, 0.00313452/step Wall: 143.185, 0.00313452/step, 4.31379 hours remaining, 225.000000 MB of memory in use. ENERGY: 45600 3981.6638 20490.1933 14486.2211 258.9371 -203362.0308 2363.2030 0.0000 0.0000 52044.7518 -109737.0607 299.1019 -161781.8125 -109363.6932 298.7566 -83.1898 -51.9061 759350.6677 13.3440 13.5277 PRESSURE: 45800 285.531 14.1162 114.663 14.1152 -108.625 -24.9051 114.663 -24.9056 11.2098 GPRESSURE: 45800 248.22 -44.6325 121.636 6.06042 -72.2432 -60.56 180.382 -55.8717 88.5297 PRESSAVG: 45800 -0.35279 45.1755 29.4029 45.1756 10.9776 7.52193 29.4029 7.52191 -2.06194 GPRESSAVG: 45800 -2.50608 47.2665 30.4077 43.4414 11.8025 11.1546 27.0945 6.08151 -0.5798 TIMING: 45800 CPU: 143.812, 0.00313403/step Wall: 143.812, 0.00313403/step, 4.31294 hours remaining, 225.000000 MB of memory in use. ENERGY: 45800 3894.7530 20546.8034 14536.2580 249.3748 -203458.5026 2451.6332 0.0000 0.0000 51933.7058 -109845.9744 298.4637 -161779.6802 -109477.8342 298.5534 62.7050 88.1688 760081.2066 2.8543 2.9056 PRESSURE: 46000 -89.355 12.0724 1.57389 12.0719 -92.2818 117.665 1.57456 117.665 -338.427 GPRESSURE: 46000 -73.9637 -29.0769 -43.5893 76.385 -18.236 142.85 109.375 114.952 -324.659 PRESSAVG: 46000 -23.1068 27.1553 28.6107 27.1553 36.8367 -16.3219 28.6106 -16.3218 15.0325 GPRESSAVG: 46000 -22.1015 26.1459 27.5421 30.0619 37.6489 -17.8113 29.7981 -16.7574 13.4116 TIMING: 46000 CPU: 144.442, 0.00314868/step Wall: 144.442, 0.00314868/step, 4.33294 hours remaining, 225.000000 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: 46000 3892.2337 20480.8690 14553.5941 263.3646 -203555.8991 2446.8050 0.0000 0.0000 51978.1906 -109940.8421 298.7194 -161919.0327 -109585.3945 298.1340 -173.3545 -138.9528 758582.8362 9.5875 9.6530 PRESSURE: 46200 -174.161 -24.6926 -47.8501 -24.6917 -53.8247 -9.75906 -47.8502 -9.75883 288.824 GPRESSURE: 46200 -136.431 -40.9393 -42.6525 -25.2948 -14.0984 5.45921 -60.8401 8.08953 283.077 PRESSAVG: 46200 -67.0953 17.5627 -4.05072 17.5627 62.0476 -0.308699 -4.05073 -0.308699 8.95035 GPRESSAVG: 46200 -67.0198 16.7093 -4.21744 16.6248 61.6312 -1.14601 -4.68928 1.40055 9.41873 TIMING: 46200 CPU: 145.07, 0.00314229/step Wall: 145.07, 0.00314229/step, 4.32397 hours remaining, 225.000000 MB of memory in use. ENERGY: 46200 3974.5021 20674.8052 14480.8493 240.9650 -203467.4864 2390.9481 0.0000 0.0000 52072.1907 -109633.2260 299.2596 -161705.4167 -109263.3145 298.9401 20.2793 44.1824 759889.5829 1.3009 1.3434 PRESSURE: 46400 -172.613 51.3093 -151.961 51.3093 171.574 -2.62342 -151.961 -2.62373 63.1235 GPRESSURE: 46400 -151.471 59.7579 -88.6608 64.8131 224.582 -22.196 -43.889 106.434 64.9909 PRESSAVG: 46400 -62.3222 17.9712 0.887198 17.9712 97.6259 -40.4204 0.887179 -40.4205 15.0431 GPRESSAVG: 46400 -61.1047 19.2984 0.973856 18.0584 97.6312 -38.7503 2.84057 -41.4451 14.1895 TIMING: 46400 CPU: 145.7, 0.00314988/step Wall: 145.7, 0.00314988/step, 4.33423 hours remaining, 225.000000 MB of memory in use. ENERGY: 46400 3996.3192 20566.6196 14491.8526 259.9476 -203932.8585 2917.9444 0.0000 0.0000 51813.7612 -109886.4137 297.7744 -161700.1750 -109527.6791 298.4345 20.6948 46.0340 760015.7851 16.7823 16.9053 PRESSURE: 46600 -203.196 -183.817 227.393 -183.816 -181.043 35.8079 227.393 35.8085 -640.667 GPRESSURE: 46600 -208.694 -7.6817 219.529 -83.9545 -137.008 -6.00701 194.402 -30.4853 -605.498 PRESSAVG: 46600 -50.4414 -21.1977 15.9397 -21.1978 62.7811 -12.4095 15.9396 -12.4095 8.10738 GPRESSAVG: 46600 -51.9947 -21.6853 16.9498 -20.6432 63.203 -13.1645 15.0889 -12.8257 9.36133 TIMING: 46600 CPU: 146.331, 0.00315268/step Wall: 146.331, 0.00315268/step, 4.33791 hours remaining, 225.000000 MB of memory in use. ENERGY: 46600 3971.8573 20372.9276 14515.1054 240.9427 -203549.8315 2568.0315 0.0000 0.0000 51742.6678 -110138.2992 297.3658 -161880.9670 -109777.6914 297.7101 -341.6353 -317.0667 761258.8700 6.8157 6.8565 PRESSURE: 46800 -11.5896 122.112 79.9854 122.113 57.3064 66.8638 79.9858 66.8632 199.545 GPRESSURE: 46800 28.2739 160.583 50.072 71.983 161.876 70.9701 114.774 117.7 135.133 PRESSAVG: 46800 -46.5469 -8.39963 -35.9752 -8.39965 57.6118 -5.25163 -35.9753 -5.25161 4.54947 GPRESSAVG: 46800 -46.0017 -7.03434 -37.5585 -9.66101 57.1786 -4.70342 -37.1163 -6.10386 4.21124 TIMING: 46800 CPU: 146.961, 0.00315224/step Wall: 146.961, 0.00315224/step, 4.33713 hours remaining, 225.000000 MB of memory in use. ENERGY: 46800 3995.2858 20556.1945 14490.2950 252.2181 -203851.4760 2873.8910 0.0000 0.0000 51950.8740 -109732.7175 298.5624 -161683.5916 -109380.8334 298.2567 81.7538 108.4279 760295.9783 5.2048 5.1294 PRESSURE: 47000 -634.601 111.656 -133.65 111.657 -354.681 -88.4461 -133.649 -88.4467 -158.5 GPRESSURE: 47000 -505.242 80.8884 -83.4219 81.9596 -374.827 -99.4063 -128.064 -100.274 -182.318 PRESSAVG: 47000 24.2836 46.6626 60.0638 46.6627 0.01823 -1.56111 60.0638 -1.56115 -7.28716 GPRESSAVG: 47000 23.5854 43.9723 60.0378 46.5762 0.950574 -1.02835 61.6741 -1.53837 -7.68232 TIMING: 47000 CPU: 147.592, 0.00315471/step Wall: 147.592, 0.00315471/step, 4.34035 hours remaining, 225.000000 MB of memory in use. ENERGY: 47000 3871.2991 20514.5398 14400.0832 238.8377 -202991.2887 2242.6884 0.0000 0.0000 52033.3295 -109690.5110 299.0363 -161723.8405 -109320.0310 298.3153 -382.5941 -354.1290 763728.9544 5.6716 5.6179 PRESSURE: 47200 209.362 -4.40158 314.234 -4.40216 17.2315 46.3314 314.235 46.3311 -195.413 GPRESSURE: 47200 294.672 26.9353 228.782 -5.45486 8.96954 49.8403 401.426 91.659 -166.248 PRESSAVG: 47200 -67.49 53.5796 67.7455 53.5797 33.814 31.6214 67.7455 31.6214 9.50917 GPRESSAVG: 47200 -65.1282 53.5459 68.1629 54.0801 31.254 29.9327 66.5198 31.6434 9.91373 TIMING: 47200 CPU: 148.22, 0.00313944/step Wall: 148.22, 0.00313944/step, 4.31918 hours remaining, 225.000000 MB of memory in use. ENERGY: 47200 3963.4673 20464.8155 14420.6903 228.9306 -203641.5263 2805.5096 0.0000 0.0000 51910.7608 -109847.3522 298.3319 -161758.1130 -109474.6778 298.2401 10.3932 45.7976 763787.9991 -8.0556 -7.9868 PRESSURE: 47400 272.612 125.148 43.3158 125.147 -209.244 135.087 43.3149 135.085 -178.739 GPRESSURE: 47400 244.246 129.439 26.9674 192.44 -143.947 36.0252 70.7858 196.67 -133.956 PRESSAVG: 47400 22.3332 1.34064 31.3204 1.34066 -5.34171 -14.1717 31.3204 -14.1718 -15.9191 GPRESSAVG: 47400 20.6129 4.7528 31.3777 2.43357 -3.0347 -15.4074 31.1612 -10.755 -16.303 TIMING: 47400 CPU: 148.85, 0.00315097/step Wall: 148.85, 0.00315097/step, 4.33486 hours remaining, 225.000000 MB of memory in use. ENERGY: 47400 4014.7686 20589.1957 14407.6546 262.8824 -203224.3227 2520.9908 0.0000 0.0000 51994.3196 -109434.5111 298.8121 -161428.8307 -109084.1579 298.8108 -38.4567 -11.2188 761681.3179 0.3574 0.4251 PRESSURE: 47600 387.309 134.718 -128.776 134.717 171.445 238.067 -128.776 238.066 140.493 GPRESSURE: 47600 363.004 80.3118 -24.2445 144.112 250.777 266.099 -150.432 134.177 182.801 PRESSAVG: 47600 34.9911 -3.09068 -18.948 -3.09069 -30.1705 45.7374 -18.948 45.7375 -11.3017 GPRESSAVG: 47600 34.0409 -5.33311 -18.1872 -4.80618 -30.3254 48.5776 -19.3371 44.614 -10.6607 TIMING: 47600 CPU: 149.476, 0.00313023/step Wall: 149.476, 0.00313023/step, 4.30615 hours remaining, 225.000000 MB of memory in use. ENERGY: 47600 3914.8100 20520.0776 14447.5205 266.7772 -203528.1936 2685.7929 0.0000 0.0000 52176.2717 -109516.9436 299.8578 -161693.2153 -109141.2108 299.3584 233.0821 265.5273 759921.5320 -2.1604 -2.3151 PRESSURE: 47800 145.156 -95.6442 269.027 -95.6438 126.868 -42.6568 269.027 -42.658 -38.1609 GPRESSURE: 47800 273.3 -29.2894 294.531 -90.6754 100.342 -55.5736 278.97 -43.7014 -49.3537 PRESSAVG: 47800 1.48192 -8.60725 54.7093 -8.60726 -56.1265 -12.8287 54.7092 -12.8287 27.3096 GPRESSAVG: 47800 3.6677 -9.89133 54.8679 -6.71415 -57.2231 -13.9933 54.6386 -14.5849 26.4968 TIMING: 47800 CPU: 150.101, 0.00312506/step Wall: 150.101, 0.00312506/step, 4.29886 hours remaining, 225.000000 MB of memory in use. ENERGY: 47800 3990.6918 20714.0612 14413.0857 253.7978 -203218.8002 2512.6383 0.0000 0.0000 51928.9976 -109405.5277 298.4367 -161334.5254 -109052.2533 298.9981 77.9546 108.0961 762938.2688 -9.1116 -9.0195 PRESSURE: 48000 -129.899 -62.2225 -17.3906 -62.222 123.553 119.079 -17.3917 119.078 59.743 GPRESSURE: 48000 -21.7513 -56.3026 -28.7087 -209.178 85.4726 33.1281 -123.257 125.781 80.2028 PRESSAVG: 48000 14.7062 -10.4055 32.2824 -10.4055 3.75692 25.1435 32.2824 25.1435 -5.78851 GPRESSAVG: 48000 13.0826 -8.78534 31.4765 -13.0449 4.67753 25.6064 33.1103 26.017 -5.5655 TIMING: 48000 CPU: 150.729, 0.00314116/step Wall: 150.729, 0.00314116/step, 4.32084 hours remaining, 225.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 48000 3999.4000 20583.6801 14460.6363 228.8349 -203060.6817 2447.8184 0.0000 0.0000 51792.3289 -109547.9830 297.6512 -161340.3119 -109192.2239 298.8106 17.7988 47.9747 761123.0384 4.2249 4.0649 PRESSURE: 48200 -116.554 249.361 -78.5403 249.361 -213.627 -57.5664 -78.5401 -57.5658 302.748 GPRESSURE: 48200 -89.0132 170.213 -60.5236 188.349 -146.142 -66.9227 1.75607 -90.9727 286.677 PRESSAVG: 48200 -55.6322 -10.4881 -2.85599 -10.4881 52.8151 -22.4854 -2.85601 -22.4853 -11.541 GPRESSAVG: 48200 -55.2261 -9.35944 -3.11722 -11.8525 52.9639 -21.3543 -3.42379 -23.5572 -11.7568 TIMING: 48200 CPU: 151.358, 0.0031447/step Wall: 151.358, 0.0031447/step, 4.32554 hours remaining, 225.000000 MB of memory in use. ENERGY: 48200 3987.2157 20500.7951 14435.9924 257.9352 -203258.2521 2464.9433 0.0000 0.0000 51796.0561 -109815.3143 297.6726 -161611.3704 -109449.7192 298.6570 -9.1445 17.1737 760700.2368 -4.7861 -4.6730 LDB: ============= START OF LOAD BALANCING ============== 163.808 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 163.809 LDB: =============== DONE WITH MIGRATION ================ 163.81 LDB: ============= START OF LOAD BALANCING ============== 164.127 LDB: Largest compute 7076 load 0.036507 is 18.8% of average load 0.194438 LDB: Average compute 0.004405 is 2.3% of average load 0.194438 LDB: TIME 164.13 LOAD: AVG 0.194438 MAX 0.211002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.316 MB LDB: TIME 164.131 LOAD: AVG 0.194438 MAX 0.211002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.316 MB LDB: TIME 164.131 LOAD: AVG 0.194438 MAX 0.211002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.316 MB LDB: ============== END OF LOAD BALANCING =============== 164.133 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 164.138 PRESSURE: 48400 -82.5765 -159.639 21.8771 -159.639 35.2255 -114.592 21.8776 -114.591 -51.5518 GPRESSURE: 48400 3.20345 -118.092 40.2789 -76.7882 -40.1264 -125.489 134.918 -40.8525 11.0599 PRESSAVG: 48400 -22.7027 22.1317 -4.28013 22.1317 30.02 -10.7742 -4.2801 -10.7743 10.456 GPRESSAVG: 48400 -23.4854 20.7748 -3.00594 23.8137 29.9132 -12.7335 -3.32671 -8.57681 10.763 TIMING: 48400 CPU: 152.002, 0.00321752/step Wall: 152.002, 0.00321752/step, 4.42552 hours remaining, 225.281250 MB of memory in use. ENERGY: 48400 4047.5793 20631.3289 14415.9623 244.9583 -203716.6410 2621.8344 0.0000 0.0000 52097.3308 -109657.6470 299.4041 -161754.9778 -109301.4181 298.6015 -32.9676 -8.6210 760349.7595 5.9245 5.7303 PRESSURE: 48600 -524.69 240.851 79.7951 240.85 -33.7849 70.9881 79.7955 70.9874 -186.836 GPRESSURE: 48600 -414.784 254.732 127.514 154.738 -59.6312 3.84656 -14.6932 58.6351 -182.253 PRESSAVG: 48600 -41.7012 29.6548 10.112 29.6548 -15.6445 -25.9065 10.112 -25.9065 -2.56911 GPRESSAVG: 48600 -42.0456 30.585 8.09097 30.5292 -14.6844 -25.6733 9.48327 -27.017 -3.30476 TIMING: 48600 CPU: 152.629, 0.00313574/step Wall: 152.629, 0.00313574/step, 4.31286 hours remaining, 225.281250 MB of memory in use. ENERGY: 48600 4027.1192 20610.5941 14445.9690 259.7088 -203251.7163 2493.5266 0.0000 0.0000 51968.9845 -109445.8141 298.6665 -161414.7986 -109083.7255 299.1648 -248.4368 -218.8894 763431.5089 -19.9716 -20.0116 PRESSURE: 48800 335.116 -30.3375 -291.82 -30.3381 334.043 90.158 -291.819 90.1574 272.38 GPRESSURE: 48800 390.655 -83.0552 -278.891 -5.53388 366.766 36.5664 -295.289 131.201 249.574 PRESSAVG: 48800 -1.61309 54.69 30.0334 54.69 6.56951 -19.868 30.0334 -19.868 -13.4986 GPRESSAVG: 48800 -1.86739 53.9975 30.6725 53.2853 5.65803 -19.5542 32.5377 -18.8905 -12.5211 TIMING: 48800 CPU: 153.256, 0.00313522/step Wall: 153.256, 0.00313522/step, 4.31197 hours remaining, 225.281250 MB of memory in use. ENERGY: 48800 3966.0023 20537.6356 14496.8591 259.0843 -204043.0877 3088.1334 0.0000 0.0000 52176.0768 -109519.2962 299.8566 -161695.3730 -109147.5662 299.0094 313.8462 335.6650 761046.7511 -2.8474 -2.9102 PRESSURE: 49000 31.7494 -206.629 29.2879 -206.628 51.7948 260.716 29.2882 260.716 -97.5821 GPRESSURE: 49000 13.2806 -118.809 -29.7034 -64.6704 79.4077 259.498 -104.649 321.584 -23.9916 PRESSAVG: 49000 -39.3442 -14.2519 -16.4419 -14.252 55.9265 -16.9023 -16.4419 -16.9024 11.4942 GPRESSAVG: 49000 -39.0139 -14.6942 -14.6399 -12.4156 56.2333 -17.4366 -19.8011 -16.6504 11.3051 TIMING: 49000 CPU: 153.88, 0.00312036/step Wall: 153.88, 0.00312036/step, 4.29137 hours remaining, 225.281250 MB of memory in use. ENERGY: 49000 4060.3975 20628.6587 14422.3593 256.9354 -203485.5293 2819.5509 0.0000 0.0000 51644.0421 -109653.5855 296.7990 -161297.6275 -109302.9361 298.4196 -4.6793 22.8989 763580.1227 9.3588 9.5082 PRESSURE: 49200 -113.965 -132.01 58.9533 -132.009 159.917 56.3068 58.953 56.3064 -641.032 GPRESSURE: 49200 -88.6511 -83.3976 41.9656 -207.383 168.373 -36.8053 82.5038 121.603 -582.762 PRESSAVG: 49200 -40.6344 -4.14718 66.6807 -4.14717 6.3107 35.5416 66.6807 35.5416 8.04993 GPRESSAVG: 49200 -40.0701 -1.44829 64.4082 -5.8903 6.18455 36.5075 66.8657 34.4002 7.59419 TIMING: 49200 CPU: 154.508, 0.00313937/step Wall: 154.508, 0.00313937/step, 4.31734 hours remaining, 225.281250 MB of memory in use. ENERGY: 49200 3987.0025 20508.6217 14408.6534 235.0392 -203395.7504 2388.3219 0.0000 0.0000 52059.3362 -109808.7756 299.1857 -161868.1117 -109439.8549 298.3108 -198.3601 -167.6799 763847.4876 -8.7579 -8.7638 PRESSURE: 49400 99.1818 11.9853 1.56478 11.986 43.4773 -95.8015 1.5656 -95.8025 -16.8594 GPRESSURE: 49400 80.81 54.3013 43.8219 -33.3399 155.549 -98.9933 -37.2608 -5.34688 -24.4369 PRESSAVG: 49400 13.0397 53.3443 21.8774 53.3443 8.26631 39.0326 21.8775 39.0326 18.5102 GPRESSAVG: 49400 13.2077 52.4115 21.7537 54.1335 9.28608 38.8309 24.1413 38.2238 17.5316 TIMING: 49400 CPU: 155.137, 0.00314659/step Wall: 155.137, 0.00314659/step, 4.32708 hours remaining, 225.281250 MB of memory in use. ENERGY: 49400 3981.0974 20427.9525 14479.2742 250.1148 -203811.0791 2714.2337 0.0000 0.0000 52085.0104 -109873.3962 299.3333 -161958.4066 -109510.7489 298.1422 41.9332 70.6407 761774.0066 13.2721 13.3418 PRESSURE: 49600 132.893 -119.492 -26.7081 -119.492 6.72882 -107.4 -26.7081 -107.401 -299.1 GPRESSURE: 49600 208.181 -41.3985 -31.1873 35.6724 56.8059 -69.9136 -40.7307 -22.5309 -331.864 PRESSAVG: 49600 21.5959 21.8833 32.1543 21.8833 2.46105 -7.96989 32.1542 -7.96988 -5.64026 GPRESSAVG: 49600 21.665 21.3504 33.3014 23.0586 0.913058 -6.77873 31.8313 -9.97109 -4.17474 TIMING: 49600 CPU: 155.764, 0.00313102/step Wall: 155.764, 0.00313102/step, 4.3055 hours remaining, 225.281250 MB of memory in use. ENERGY: 49600 4073.6641 20466.5271 14447.3591 249.6361 -203805.9547 2976.3838 0.0000 0.0000 51768.2433 -109824.1413 297.5128 -161592.3845 -109455.4526 297.9525 -53.1595 -22.2927 760932.3696 6.1389 6.1344 PRESSURE: 49800 64.4849 -68.8705 -14.6296 -68.8707 203.694 -34.8754 -14.6295 -34.8753 -335.409 GPRESSURE: 49800 109.712 -162.869 -26.0749 -58.242 256.649 -73.4064 -65.3288 -37.436 -336.842 PRESSAVG: 49800 48.5786 8.21831 -11.4288 8.21832 1.39713 60.6266 -11.4288 60.6266 -24.6759 GPRESSAVG: 49800 47.3596 6.36892 -12.9741 7.38978 3.0758 59.7408 -11.3121 61.5603 -24.7866 TIMING: 49800 CPU: 156.387, 0.00311561/step Wall: 156.387, 0.00311561/step, 4.28414 hours remaining, 225.281250 MB of memory in use. ENERGY: 49800 4020.8794 20649.9068 14448.8344 235.8690 -203800.4106 2877.6683 0.0000 0.0000 51927.3936 -109639.8591 298.4274 -161567.2527 -109271.2224 298.2963 -22.4101 9.8397 762110.1768 8.4333 8.5496 PRESSURE: 50000 -73.7122 -242.718 89.7789 -242.719 -83.0281 -37.5119 89.7795 -37.5094 -54.8414 GPRESSURE: 50000 -112.901 -205.804 76.5936 -280.215 -14.9612 19.7299 155.706 -38.0283 -12.9933 PRESSAVG: 50000 -12.3081 -54.9949 44.7207 -54.9949 11.4033 4.28809 44.7207 4.28808 9.04405 GPRESSAVG: 50000 -11.73 -53.25 46.0224 -55.6654 10.8378 4.78697 44.094 5.70695 8.64395 TIMING: 50000 CPU: 157.011, 0.00312389/step Wall: 157.011, 0.00312389/step, 4.29535 hours remaining, 225.281250 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: 50000 4049.1517 20552.3537 14443.0557 238.4238 -203512.6272 2648.7976 0.0000 0.0000 52230.9100 -109349.9348 300.1718 -161580.8448 -108994.6349 299.0185 -70.5272 -46.9520 763179.9127 2.7131 2.5839 PRESSURE: 50200 271.192 97.0107 -24.9628 97.012 243.091 -59.6469 -24.9633 -59.6488 -61.0796 GPRESSURE: 50200 255.212 144.198 -16.8325 34.4388 181.803 -87.7954 -2.13313 -27.3876 135.875 PRESSAVG: 50200 15.5725 4.10837 34.4552 4.10837 -23.698 -14.9466 34.4551 -14.9466 -12.5053 GPRESSAVG: 50200 15.0525 4.16437 34.4943 6.19563 -24.8745 -14.8569 35.7792 -15.6685 -11.1716 TIMING: 50200 CPU: 157.637, 0.0031292/step Wall: 157.637, 0.0031292/step, 4.30248 hours remaining, 225.281250 MB of memory in use. ENERGY: 50200 4004.5293 20528.5912 14466.0604 244.0651 -203725.8060 3088.4282 0.0000 0.0000 52054.0441 -109340.0877 299.1553 -161394.1318 -108984.9609 299.4301 151.0678 190.9634 760743.4237 -6.8770 -6.9979 PRESSURE: 50400 207.43 -151.15 -119.733 -151.149 205.575 -120.838 -119.733 -120.837 -14.9622 GPRESSURE: 50400 287.426 -199.433 -135.708 0.727394 185.879 -103.315 -100.66 -238.231 5.37869 PRESSAVG: 50400 -13.8038 4.13291 40.2371 4.13293 -21.2205 14.9986 40.2371 14.9986 -6.47058 GPRESSAVG: 50400 -13.1996 2.69582 40.3423 5.17848 -20.7001 15.4777 38.9916 16.9237 -6.97495 TIMING: 50400 CPU: 158.265, 0.00313853/step Wall: 158.265, 0.00313853/step, 4.31513 hours remaining, 225.281250 MB of memory in use. ENERGY: 50400 4000.5664 20551.3324 14530.3708 250.6379 -203708.4628 2878.3349 0.0000 0.0000 51973.8729 -109523.3475 298.6946 -161497.2204 -109173.8032 298.9087 132.6809 159.5611 762060.1029 -13.8317 -13.6249 PRESSURE: 50600 271.235 90.1455 199.435 90.1446 293.751 121.719 199.435 121.72 -326.623 GPRESSURE: 50600 296.429 12.519 191.608 65.6553 327.887 108.106 135.67 22.4315 -302.833 PRESSAVG: 50600 -5.28579 -12.3371 -43.0009 -12.3371 -1.2956 -44.0033 -43.001 -44.0034 8.41798 GPRESSAVG: 50600 -5.65322 -10.5489 -44.5769 -13.0724 -1.54561 -45.3633 -41.8656 -45.5064 9.13738 TIMING: 50600 CPU: 158.892, 0.00313516/step Wall: 158.892, 0.00313516/step, 4.31033 hours remaining, 225.281250 MB of memory in use. ENERGY: 50600 3995.5709 20643.9506 14457.9615 255.1871 -203600.3923 2810.2612 0.0000 0.0000 51874.4801 -109562.9809 298.1234 -161437.4610 -109210.5402 298.7870 79.4541 107.1613 761802.4424 0.6122 0.6462 PRESSURE: 50800 174.373 -188.893 -70.8908 -188.893 63.8682 -89.1322 -70.8908 -89.133 424.097 GPRESSURE: 50800 137.46 -96.7089 -52.5701 -115.112 124.793 -94.8401 -123.868 46.2272 472.593 PRESSAVG: 50800 -3.63399 -48.4145 -28.0016 -48.4145 22.746 -3.5593 -28.0016 -3.55932 -3.68698 GPRESSAVG: 50800 -3.97879 -48.5638 -27.3593 -48.1486 23.5456 -2.75231 -29.8156 -3.02343 -3.91726 TIMING: 50800 CPU: 159.524, 0.00315995/step Wall: 159.524, 0.00315995/step, 4.34423 hours remaining, 225.281250 MB of memory in use. ENERGY: 50800 4040.1920 20538.9491 14402.5856 240.4945 -203311.5216 2563.2572 0.0000 0.0000 52109.0667 -109416.9764 299.4715 -161526.0431 -109051.1374 299.0342 220.7794 244.9486 760747.9713 5.1417 5.2165 PRESSURE: 51000 -240.725 123.015 -129.77 123.014 -295.771 -5.94874 -129.77 -5.94777 -278.946 GPRESSURE: 51000 -103.396 193.801 -168.697 95.2626 -260.645 -64.5152 -23.4427 -93.7966 -347.466 PRESSAVG: 51000 -23.2449 9.07488 -91.2286 9.07484 15.8733 -64.5359 -91.2287 -64.5359 7.73847 GPRESSAVG: 51000 -24.3917 10.9839 -91.4096 7.18562 16.7417 -64.74 -88.7921 -64.8102 8.02082 TIMING: 51000 CPU: 160.152, 0.00313874/step Wall: 160.152, 0.00313874/step, 4.3149 hours remaining, 225.281250 MB of memory in use. ENERGY: 51000 3970.1819 20409.9567 14486.8861 242.2459 -203227.9090 2535.2461 0.0000 0.0000 52087.2744 -109496.1180 299.3463 -161583.3924 -109128.9523 299.2223 -271.8139 -237.1689 763868.2547 0.1223 0.1236 PRESSURE: 51200 46.7503 -127.062 -256.645 -127.062 -101.916 -23.2623 -256.645 -23.2633 29.2931 GPRESSURE: 51200 130.203 -229.333 -252.173 25.4128 -48.7378 -79.6402 -117.77 -47.067 -31.893 PRESSAVG: 51200 6.06967 -15.9384 -59.0629 -15.9384 -15.3395 -51.8049 -59.0629 -51.8048 -11.236 GPRESSAVG: 51200 7.81778 -19.2859 -60.5808 -14.5576 -15.8287 -52.1929 -60.5615 -53.3132 -12.1703 TIMING: 51200 CPU: 160.78, 0.00314094/step Wall: 160.78, 0.00314094/step, 4.31774 hours remaining, 225.281250 MB of memory in use. ENERGY: 51200 4043.4979 20359.8447 14495.7947 245.3617 -203419.8071 2614.0051 0.0000 0.0000 52204.9122 -109456.3907 300.0223 -161661.3030 -109089.4797 299.3612 -8.6240 16.5240 762108.4775 -6.8353 -6.7271 PRESSURE: 51400 160.522 -71.4851 -93.2678 -71.4855 -213.956 199.301 -93.2679 199.302 78.3474 GPRESSURE: 51400 123.858 -98.7301 -32.5333 -65.8291 -170.538 146.335 -166.17 92.4577 151.325 PRESSAVG: 51400 -3.86864 8.19053 -25.3993 8.19051 -19.8208 -28.7943 -25.3993 -28.7943 1.81078 GPRESSAVG: 51400 -3.2775 9.58979 -23.2235 6.67605 -19.7384 -27.8121 -24.3401 -27.8266 0.81625 TIMING: 51400 CPU: 161.408, 0.00314057/step Wall: 161.408, 0.00314057/step, 4.31706 hours remaining, 225.281250 MB of memory in use. ENERGY: 51400 4017.5137 20622.2940 14434.8258 245.6386 -203331.7344 2711.0929 0.0000 0.0000 52019.9441 -109280.4253 298.9593 -161300.3694 -108916.6750 299.1695 8.3046 34.8817 763644.6808 -7.2929 -7.3999 PRESSURE: 51600 -109.466 -313.041 -5.27662 -313.041 291.178 125.892 -5.27675 125.893 155.874 GPRESSURE: 51600 14.6766 -236.958 23.9424 -165.967 263.652 70.7401 -13.0453 77.4988 150.144 PRESSAVG: 51600 -14.7112 8.85418 35.9177 8.85418 33.1665 -30.9437 35.9177 -30.9438 34.4214 GPRESSAVG: 51600 -16.2155 9.60755 35.4028 9.35315 32.4502 -31.8751 33.4993 -32.5067 36.7405 TIMING: 51600 CPU: 162.035, 0.0031345/step Wall: 162.035, 0.0031345/step, 4.30854 hours remaining, 225.281250 MB of memory in use. ENERGY: 51600 3972.1577 20523.9863 14469.0108 240.5535 -203667.2321 2696.1407 0.0000 0.0000 52365.2802 -109400.1028 300.9440 -161765.3831 -109023.1125 299.2560 112.5285 142.8240 761809.8737 17.6256 17.6584 PRESSURE: 51800 -379.901 76.5858 -201.694 76.5852 -147.503 16.1725 -201.694 16.1725 157.286 GPRESSURE: 51800 -325.502 52.4865 -154.462 67.766 -68.5365 9.84364 -150.29 101.248 114.901 PRESSAVG: 51800 -9.57009 4.3155 -18.8925 4.31545 32.4915 24.7272 -18.8925 24.7272 -1.34948 GPRESSAVG: 51800 -8.14769 2.36686 -19.8738 4.66691 32.8487 23.4049 -17.515 25.8204 -3.19907 TIMING: 51800 CPU: 162.662, 0.00313753/step Wall: 162.662, 0.00313753/step, 4.31253 hours remaining, 225.281250 MB of memory in use. ENERGY: 51800 4000.3142 20418.7934 14438.4989 235.8162 -202917.2664 2524.1877 0.0000 0.0000 51952.5452 -109347.1106 298.5720 -161299.6559 -108977.0140 298.9967 -123.3726 -93.0458 761898.9046 7.1907 7.1673 PRESSURE: 52000 249.268 84.8814 -69.5842 84.8811 -0.568813 -26.4327 -69.5846 -26.4319 367.219 GPRESSURE: 52000 227.725 32.1371 -97.9088 -35.3424 45.4558 27.993 58.6716 -30.8577 446.296 PRESSAVG: 52000 5.24986 -32.7875 -10.3369 -32.7875 4.56078 20.2186 -10.3369 20.2186 -9.23706 GPRESSAVG: 52000 4.28412 -31.2051 -10.1089 -33.5406 5.27006 22.866 -9.85626 20.3263 -8.94593 TIMING: 52000 CPU: 163.292, 0.00314697/step Wall: 163.292, 0.00314697/step, 4.32533 hours remaining, 225.281250 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: 52000 4021.7539 20417.5755 14523.3208 249.8366 -203365.0936 2578.1193 0.0000 0.0000 52198.3722 -109376.1154 299.9848 -161574.4876 -109011.2179 299.0188 205.3060 239.8258 760419.9817 0.1912 0.2028 PRESSURE: 52200 -262.949 -137.439 30.953 -137.438 -222.311 -21.1183 30.9528 -21.1189 34.9638 GPRESSURE: 52200 -268.326 -204.281 53.5622 90.7564 -181.978 -6.68801 121.965 -72.6792 103.812 PRESSAVG: 52200 6.70824 -71.2093 -29.9789 -71.2093 14.0235 -4.2334 -29.9789 -4.23343 8.14985 GPRESSAVG: 52200 6.54134 -72.6449 -30.0286 -68.6142 13.7753 -5.39931 -31.4057 -5.25005 9.1954 TIMING: 52200 CPU: 163.917, 0.0031257/step Wall: 163.917, 0.0031257/step, 4.29593 hours remaining, 225.281250 MB of memory in use. ENERGY: 52200 4031.4087 20677.1430 14490.1111 247.3783 -203337.1835 2546.1832 0.0000 0.0000 52032.9862 -109311.9730 299.0343 -161344.9592 -108953.9267 299.6934 -150.0988 -115.4976 761650.5194 9.6272 9.8373 LDB: ============= START OF LOAD BALANCING ============== 176.364 LDB: ============== END OF LOAD BALANCING =============== 176.364 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 176.366 LDB: ============= START OF LOAD BALANCING ============== 176.678 LDB: Largest compute 7076 load 0.036437 is 18.7% of average load 0.194576 LDB: Average compute 0.004370 is 2.2% of average load 0.194576 LDB: TIME 176.681 LOAD: AVG 0.194576 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.258 MB LDB: TIME 176.681 LOAD: AVG 0.194576 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.262 MB LDB: TIME 176.681 LOAD: AVG 0.194576 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.262 MB LDB: ============== END OF LOAD BALANCING =============== 176.683 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 176.688 PRESSURE: 52400 -456.295 -97.1919 173.016 -97.1921 2.95173 51.4136 173.016 51.4127 -101.099 GPRESSURE: 52400 -385.988 -6.73143 201.792 -90.6913 83.7706 83.1615 94.973 154.074 -175.068 PRESSAVG: 52400 -25.5474 -49.7062 -13.8802 -49.7062 14.3191 -34.441 -13.8802 -34.441 -14.3699 GPRESSAVG: 52400 -24.6025 -50.2346 -14.4958 -50.0786 12.985 -33.7615 -13.0123 -32.8296 -14.5466 TIMING: 52400 CPU: 164.552, 0.00317726/step Wall: 164.552, 0.00317726/step, 4.36662 hours remaining, 226.562500 MB of memory in use. ENERGY: 52400 4017.6667 20586.5126 14449.0232 255.9223 -203475.6123 2577.8828 0.0000 0.0000 51888.1581 -109700.4465 298.2020 -161588.6046 -109336.8503 299.1524 -184.8142 -159.0952 760854.6813 -8.5327 -8.7214 PRESSURE: 52600 432.895 -109.199 -81.8246 -109.198 26.5921 255.008 -81.8239 255.007 278.664 GPRESSURE: 52600 497.048 -143.936 -60.0772 -19.0619 32.0151 203.602 -10.9324 110.873 289.981 PRESSAVG: 52600 -18.5239 -31.0406 -9.10803 -31.0407 33.3265 -33.7832 -9.10798 -33.7832 26.9822 GPRESSAVG: 52600 -18.0157 -30.9667 -7.97702 -31.0696 33.0091 -35.0048 -8.9381 -34.4946 26.113 TIMING: 52600 CPU: 165.18, 0.00313595/step Wall: 165.18, 0.00313595/step, 4.30967 hours remaining, 226.562500 MB of memory in use. ENERGY: 52600 3889.0885 20432.8473 14463.6344 250.9555 -203919.0271 2993.8558 0.0000 0.0000 52057.9938 -109830.6518 299.1780 -161888.6456 -109466.8880 298.6033 246.0505 273.0145 761333.5171 13.9283 13.7021 PRESSURE: 52800 8.27529 46.9428 -28.2592 46.9421 36.1095 43.5775 -28.2592 43.5781 -55.9049 GPRESSURE: 52800 118.534 113.853 -32.4924 -159.215 -10.7593 32.1165 -1.3257 114.441 -39.6718 PRESSAVG: 52800 13.3988 -26.2162 15.765 -26.2162 15.7579 -52.3172 15.7649 -52.3173 -6.57009 GPRESSAVG: 52800 11.8802 -22.2325 15.7032 -29.6551 16.5755 -51.8033 17.115 -53.8957 -6.01603 TIMING: 52800 CPU: 165.804, 0.00312262/step Wall: 165.804, 0.00312262/step, 4.29117 hours remaining, 226.562500 MB of memory in use. ENERGY: 52800 3928.2874 20516.2333 14481.1729 228.2711 -203486.5161 2683.7280 0.0000 0.0000 52072.5181 -109576.3053 299.2615 -161648.8234 -109206.4436 299.0164 -3.8400 22.7008 760872.2948 7.5289 7.4799 PRESSURE: 53000 227.59 33.5986 -34.3404 33.5989 -93.3436 -16.9405 -34.3403 -16.9414 -502.735 GPRESSURE: 53000 187.995 113.225 -6.35573 52.4071 -29.4924 63.5743 95.0313 -72.7644 -427.69 PRESSAVG: 53000 23.0759 -5.33035 -16.6094 -5.33039 -52.4211 -21.3913 -16.6094 -21.3913 8.06806 GPRESSAVG: 53000 23.9388 -7.54659 -17.1906 -3.67558 -52.6659 -20.9324 -17.7959 -21.5879 7.72627 TIMING: 53000 CPU: 166.432, 0.00313923/step Wall: 166.432, 0.00313923/step, 4.31383 hours remaining, 226.562500 MB of memory in use. ENERGY: 53000 3869.7732 20455.4359 14439.1267 240.3833 -203160.4458 2570.2307 0.0000 0.0000 52018.2944 -109567.2015 298.9499 -161585.4958 -109198.6215 298.7805 -122.8295 -89.7292 763270.5644 -7.0924 -7.0003 PRESSURE: 53200 226.658 -137.675 184.45 -137.675 -228.854 170.679 184.45 170.679 -26.8533 GPRESSURE: 53200 262.548 -81.6393 242.335 -119.563 -191.766 178.296 299.619 124.064 -12.5891 PRESSAVG: 53200 -36.2257 -61.9921 7.56456 -61.9922 -24.3782 16.9311 7.56455 16.9311 3.37838 GPRESSAVG: 53200 -36.5454 -60.9024 8.48621 -61.5503 -24.824 15.8688 7.73172 18.7847 3.99761 TIMING: 53200 CPU: 167.062, 0.00315187/step Wall: 167.062, 0.00315187/step, 4.33102 hours remaining, 226.562500 MB of memory in use. ENERGY: 53200 3999.2474 20450.2474 14485.4376 252.2577 -203679.2778 2771.5613 0.0000 0.0000 52095.0753 -109625.4510 299.3911 -161720.5263 -109262.6441 298.3927 -9.6830 19.3977 761248.8416 -19.0752 -19.1239 PRESSURE: 53400 -130.738 26.8703 97.2459 26.8706 -439.44 181.162 97.2463 181.162 -34.1031 GPRESSURE: 53400 -119.367 -100.886 40.2941 28.0528 -342.67 238.822 28.1011 125.428 -50.2126 PRESSAVG: 53400 -3.88756 -79.7021 5.46529 -79.7021 16.9651 32.4665 5.46525 32.4665 -21.0724 GPRESSAVG: 53400 -3.54708 -81.9345 3.66611 -77.5467 18.2701 32.747 4.91747 32.0469 -22.1991 TIMING: 53400 CPU: 167.689, 0.00313106/step Wall: 167.689, 0.00313106/step, 4.30226 hours remaining, 226.562500 MB of memory in use. ENERGY: 53400 3905.7084 20419.0084 14430.9624 255.7364 -203314.7001 2455.2107 0.0000 0.0000 52170.9093 -109677.1645 299.8269 -161848.0737 -109309.2604 298.7151 -201.4270 -170.7499 762885.0087 -2.6649 -2.4920 PRESSURE: 53600 -185.439 -57.2547 19.1136 -57.254 -238.966 -177.691 19.113 -177.69 206.954 GPRESSURE: 53600 -140.142 20.6424 37.4872 58.6926 -250.027 -157.848 62.2571 -149.506 260.141 PRESSAVG: 53600 19.5426 -31.8427 38.2879 -31.8427 1.06601 -25.0939 38.2879 -25.0938 13.3546 GPRESSAVG: 53600 19.8503 -31.9639 39.2884 -35.9682 0.511644 -25.0321 39.5898 -25.9321 13.8566 TIMING: 53600 CPU: 168.32, 0.00315621/step Wall: 168.32, 0.00315621/step, 4.33663 hours remaining, 226.562500 MB of memory in use. ENERGY: 53600 3967.7027 20541.0274 14442.0620 257.5669 -203440.1710 2550.5266 0.0000 0.0000 52035.4405 -109645.8449 299.0484 -161681.2854 -109291.0671 299.1286 -72.4836 -43.3430 763044.0890 11.3211 11.4062 PRESSURE: 53800 -132.18 126.841 -167.989 126.84 -172.606 -305.251 -167.989 -305.25 447.716 GPRESSURE: 53800 27.6123 -26.6072 -148.913 111.687 -228.357 -281.723 -207.262 -220.942 455.224 PRESSAVG: 53800 1.11969 -33.8942 -32.2158 -33.8941 9.41 -25.1669 -32.2158 -25.1669 2.29238 GPRESSAVG: 53800 1.7249 -31.91 -32.116 -33.5009 9.45133 -24.876 -33.7107 -24.5871 1.68411 TIMING: 53800 CPU: 168.952, 0.00316259/step Wall: 168.952, 0.00316259/step, 4.34522 hours remaining, 226.562500 MB of memory in use. ENERGY: 53800 4003.4063 20537.5233 14451.5938 249.6276 -203687.3805 2805.2730 0.0000 0.0000 52074.0021 -109565.9544 299.2700 -161639.9564 -109198.2885 298.7997 47.6431 84.8265 761969.9702 4.2740 4.2868 PRESSURE: 54000 -44.0166 23.2857 117.756 23.2858 -258.497 122.27 117.756 122.27 -162.443 GPRESSURE: 54000 -103.683 1.69435 41.1429 -79.5402 -139.056 183.951 54.1853 3.42334 -141.948 PRESSAVG: 54000 -94.3349 -41.3103 -22.5114 -41.3104 72.6407 -22.4789 -22.5114 -22.4789 6.56775 GPRESSAVG: 54000 -95.4063 -43.5183 -21.1801 -40.0317 73.2343 -22.2476 -21.5685 -22.6336 6.99471 TIMING: 54000 CPU: 169.582, 0.00314654/step Wall: 169.582, 0.00314654/step, 4.32299 hours remaining, 226.562500 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: 54000 3968.2041 20244.1119 14462.2810 236.3635 -203103.4988 2396.3966 0.0000 0.0000 51927.8205 -109868.3213 298.4299 -161796.1418 -109503.6383 298.4422 -154.9854 -128.2289 762834.6402 -5.0421 -5.0591 PRESSURE: 54200 -379.563 -116.807 19.3978 -116.806 -428.314 -86.9978 19.3984 -86.998 -379.655 GPRESSURE: 54200 -297.217 -67.29 -61.451 -23.8433 -507.792 -115.816 89.6141 -79.7388 -290.222 PRESSAVG: 54200 -13.6943 -89.8412 -30.21 -89.8412 -20.3576 -54.1525 -30.21 -54.1525 -14.0969 GPRESSAVG: 54200 -13.6518 -89.9416 -31.5018 -90.657 -21.9103 -54.6873 -30.2908 -52.974 -12.5489 TIMING: 54200 CPU: 170.209, 0.00313862/step Wall: 170.209, 0.00313862/step, 4.31195 hours remaining, 226.562500 MB of memory in use. ENERGY: 54200 4021.8625 20463.2584 14398.8817 221.9217 -202715.0337 2071.3725 0.0000 0.0000 51744.2474 -109793.4895 297.3749 -161537.7370 -109426.7497 298.3180 -395.8439 -365.0773 762725.3426 -16.0496 -16.0370 PRESSURE: 54400 5.67265 -238.186 -34.089 -238.186 215.909 -22.962 -34.0893 -22.9614 278.143 GPRESSURE: 54400 96.0924 -246.629 -26.8676 -219.187 172.556 -65.3551 -92.075 25.8133 305.304 PRESSAVG: 54400 7.79462 36.9923 -11.9003 36.9923 11.6195 -14.6915 -11.9004 -14.6915 -6.01932 GPRESSAVG: 54400 7.3155 37.7016 -10.6142 38.1032 13.2335 -14.0121 -13.0249 -15.0759 -7.46485 TIMING: 54400 CPU: 170.838, 0.00314272/step Wall: 170.838, 0.00314272/step, 4.3174 hours remaining, 226.562500 MB of memory in use. ENERGY: 54400 3967.1373 20575.9584 14405.7543 245.2501 -203439.7391 2779.9659 0.0000 0.0000 51685.0324 -109780.6408 297.0346 -161465.6731 -109431.2857 298.3018 166.5748 191.3175 762797.5910 4.4649 4.3614 PRESSURE: 54600 -89.6853 54.2097 -183.356 54.2098 361.02 -58.4187 -183.356 -58.4183 41.0714 GPRESSURE: 54600 -14.185 -123.868 -169.993 74.5135 378.539 -66.8099 -52.3805 60.1724 39.2169 PRESSAVG: 54600 7.43511 -61.4969 -6.75945 -61.497 31.9266 7.89372 -6.7595 7.89368 3.72364 GPRESSAVG: 54600 7.30919 -61.3367 -8.89024 -62.2623 33.5402 6.98802 -4.76051 7.1683 2.97396 TIMING: 54600 CPU: 171.462, 0.00312188/step Wall: 171.462, 0.00312188/step, 4.2886 hours remaining, 226.562500 MB of memory in use. ENERGY: 54600 3941.4954 20455.9396 14382.1974 256.1146 -203316.4004 2639.5239 0.0000 0.0000 51726.3694 -109914.7602 297.2722 -161641.1295 -109539.1823 298.0576 104.1355 134.5237 762395.0068 14.3618 14.6078 PRESSURE: 54800 27.9022 -21.0224 -205.398 -21.0236 -7.49659 -94.0211 -205.398 -94.0215 -73.8107 GPRESSURE: 54800 107.546 104.589 -136.277 -40.512 -78.8542 0.243227 -233.309 -127.834 -19.3618 PRESSAVG: 54800 15.5374 -51.7679 -12.156 -51.7679 22.0285 -4.12979 -12.156 -4.12982 -5.79589 GPRESSAVG: 54800 17.1125 -52.1307 -11.1106 -51.3162 19.7777 -4.16486 -13.176 -5.42132 -4.87596 TIMING: 54800 CPU: 172.092, 0.00314717/step Wall: 172.092, 0.00314717/step, 4.32317 hours remaining, 226.562500 MB of memory in use. ENERGY: 54800 3930.2856 20571.0657 14415.0466 242.5358 -203675.4554 2770.5585 0.0000 0.0000 51892.0719 -109853.8914 298.2245 -161745.9633 -109486.5175 297.9522 -17.8017 3.1099 760440.7063 10.5900 10.6714 PRESSURE: 55000 153.755 -46.2591 29.965 -46.26 174.468 217.862 29.9657 217.863 199.59 GPRESSURE: 55000 98.9533 -83.3755 67.7428 52.4841 335.711 199.912 -97.9632 126.727 153.727 PRESSAVG: 55000 -7.94721 -20.9432 16.9418 -20.9432 26.8687 20.3103 16.9417 20.3104 24.8963 GPRESSAVG: 55000 -9.7261 -20.5373 18.4248 -21.6978 28.2912 21.1391 15.5932 22.2504 24.7759 TIMING: 55000 CPU: 172.721, 0.00314529/step Wall: 172.721, 0.00314529/step, 4.32041 hours remaining, 226.562500 MB of memory in use. ENERGY: 55000 3877.1148 20557.2178 14433.7287 227.6301 -203625.7226 2642.9029 0.0000 0.0000 52154.8699 -109732.2584 299.7348 -161887.1284 -109374.1307 298.6444 175.9376 196.1302 760100.7312 14.6059 14.4470 PRESSURE: 55200 50.299 66.8886 106.166 66.8879 -11.7478 49.1456 106.165 49.1435 131.504 GPRESSURE: 55200 77.8012 60.2312 142.335 128.96 45.0707 66.6855 207.792 -144.621 126.544 PRESSAVG: 55200 -78.4085 23.3397 23.034 23.3397 76.9269 68.8101 23.034 68.8101 20.1141 GPRESSAVG: 55200 -77.6344 22.0469 21.0558 25.8256 76.623 67.9396 24.4131 67.2041 19.1477 TIMING: 55200 CPU: 173.351, 0.00315157/step Wall: 173.351, 0.00315157/step, 4.32886 hours remaining, 226.562500 MB of memory in use. ENERGY: 55200 4049.2994 20490.5472 14468.3629 230.6915 -203977.4751 2845.7850 0.0000 0.0000 51954.2179 -109938.5711 298.5816 -161892.7890 -109576.5461 298.3822 56.6849 83.1385 760628.0080 6.2108 6.0454 PRESSURE: 55400 -103.116 -179.991 43.4101 -179.991 137.403 113.697 43.41 113.697 -9.50601 GPRESSURE: 55400 -78.7746 -187.314 110.408 -235.992 186.303 -1.09336 146.845 237.931 9.60662 PRESSAVG: 55400 -40.4521 -47.5735 -34.3282 -47.5735 60.6768 -13.4924 -34.3282 -13.4925 14.2278 GPRESSAVG: 55400 -39.7573 -46.7225 -32.9612 -48.416 59.6409 -13.7195 -33.6457 -11.0882 14.9447 TIMING: 55400 CPU: 173.976, 0.00312493/step Wall: 173.976, 0.00312493/step, 4.29209 hours remaining, 226.562500 MB of memory in use. ENERGY: 55400 3961.1898 20518.6763 14409.3617 233.8273 -203705.0991 2655.6268 0.0000 0.0000 52035.6700 -109890.7471 299.0497 -161926.4171 -109532.9214 297.9705 8.2604 39.0448 759356.1646 11.4842 11.6094 PRESSURE: 55600 49.1452 68.4595 216.981 68.4592 -66.0852 205.452 216.981 205.45 240.509 GPRESSURE: 55600 115.814 56.4898 223.959 110.17 -67.2226 136.284 119.333 208.813 267.603 PRESSAVG: 55600 -44.0281 4.18665 -7.8365 4.18667 40.6857 -14.3111 -7.83648 -14.311 4.96814 GPRESSAVG: 55600 -44.1642 3.77558 -8.49057 1.64562 41.0168 -14.1757 -9.22423 -15.1565 5.19032 TIMING: 55600 CPU: 174.607, 0.00315378/step Wall: 174.607, 0.00315378/step, 4.33154 hours remaining, 226.562500 MB of memory in use. ENERGY: 55600 3869.5907 20541.8172 14440.7250 261.7921 -203538.1294 2568.6728 0.0000 0.0000 52019.6588 -109835.8729 298.9577 -161855.5316 -109466.4947 298.4883 74.5229 105.3980 760536.2549 0.5419 0.6810 PRESSURE: 55800 -143.722 -8.65583 89.4496 -8.65549 127.003 27.9352 89.4499 27.935 262.308 GPRESSURE: 55800 -98.2516 43.5484 64.381 99.4245 125.675 47.2898 0.902554 68.6796 308.13 PRESSAVG: 55800 -51.0667 -43.661 -15.5083 -43.661 54.3493 -23.7948 -15.5082 -23.7949 31.9769 GPRESSAVG: 55800 -51.5151 -43.1914 -16.9274 -41.2631 55.2022 -24.4148 -15.0244 -25.3609 32.1853 TIMING: 55800 CPU: 175.237, 0.0031487/step Wall: 175.237, 0.0031487/step, 4.32439 hours remaining, 226.562500 MB of memory in use. ENERGY: 55800 3898.4460 20569.3688 14482.8493 250.3052 -203321.8541 2579.3493 0.0000 0.0000 52097.4442 -109444.0913 299.4047 -161541.5355 -109078.0439 298.8128 81.8631 111.8511 761303.0491 11.7532 11.9574 PRESSURE: 56000 211.245 51.1775 43.9041 51.178 -301.652 150.706 43.9026 150.705 112.382 GPRESSURE: 56000 157.28 140.951 40.8793 70.5152 -146.8 106.366 35.0111 183.78 87.0495 PRESSAVG: 56000 -59.969 13.452 10.3553 13.4521 42.9518 -12.4811 10.3553 -12.4811 2.92112 GPRESSAVG: 56000 -60.1748 13.0594 11.1237 10.3311 43.1866 -12.9947 12.0382 -11.0393 2.97076 TIMING: 56000 CPU: 175.867, 0.0031511/step Wall: 175.867, 0.0031511/step, 4.32751 hours remaining, 226.562500 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: 56000 3947.6657 20683.9309 14481.6042 243.5368 -203119.1590 2303.1032 0.0000 0.0000 52010.6533 -109448.6649 298.9059 -161459.3182 -109084.4423 299.4692 7.3249 32.5098 762732.3563 -4.6987 -4.6725 PRESSURE: 56200 89.329 -218.941 148.226 -218.94 58.8717 104.381 148.226 104.381 57.7269 GPRESSURE: 56200 237.635 -202.338 109.406 -201.167 28.9673 111.239 36.3636 95.9996 34.9866 PRESSAVG: 56200 -49.5296 -49.2919 -25.3939 -49.2919 47.2482 14.2211 -25.3939 14.2211 -2.37828 GPRESSAVG: 56200 -49.768 -49.5389 -25.0935 -47.5102 47.0767 15.8519 -27.9485 13.4813 -1.37737 TIMING: 56200 CPU: 176.495, 0.00314233/step Wall: 176.495, 0.00314233/step, 4.31529 hours remaining, 226.562500 MB of memory in use. ENERGY: 56200 4042.2394 20675.5502 14467.0866 239.1436 -203520.5812 2629.3917 0.0000 0.0000 52071.7928 -109395.3770 299.2573 -161467.1698 -109038.0722 299.5066 68.6425 100.5296 759341.4420 -1.5533 -1.3562 LDB: ============= START OF LOAD BALANCING ============== 188.946 LDB: ============== END OF LOAD BALANCING =============== 188.946 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 188.948 LDB: ============= START OF LOAD BALANCING ============== 189.26 LDB: Largest compute 7026 load 0.033723 is 17.3% of average load 0.194475 LDB: Average compute 0.004385 is 2.3% of average load 0.194475 LDB: TIME 189.264 LOAD: AVG 0.194475 MAX 0.21077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.109 MB LDB: TIME 189.264 LOAD: AVG 0.194475 MAX 0.21077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.109 MB LDB: TIME 189.264 LOAD: AVG 0.194475 MAX 0.21077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.109 MB LDB: ============== END OF LOAD BALANCING =============== 189.266 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 189.271 PRESSURE: 56400 -112.017 119.081 21.4178 119.082 43.9894 -10.8185 21.4178 -10.8195 -201.469 GPRESSURE: 56400 -104.385 174.095 2.40682 25.7006 135.225 -0.376971 86.4664 -72.7508 -210.571 PRESSAVG: 56400 8.11326 -48.6434 -19.0553 -48.6434 44.8451 3.6301 -19.0553 3.63015 14.0368 GPRESSAVG: 56400 8.57859 -47.7637 -19.4106 -50.1791 43.7803 3.08928 -17.5827 4.53024 14.0304 TIMING: 56400 CPU: 177.135, 0.00320016/step Wall: 177.135, 0.00320016/step, 4.39453 hours remaining, 226.050781 MB of memory in use. ENERGY: 56400 4006.9130 20682.0698 14443.0451 238.6447 -203449.4458 2607.4905 0.0000 0.0000 52080.9586 -109390.3240 299.3100 -161471.2826 -109032.5509 299.5769 -89.8323 -59.9103 760994.7648 22.3317 22.1298 PRESSURE: 56600 -19.2756 -9.77346 15.4952 -9.7732 419.549 24.1475 15.4964 24.1474 268.309 GPRESSURE: 56600 51.8933 -64.0714 16.788 97.7562 433.258 7.71496 -145.57 57.6983 272.959 PRESSAVG: 56600 -24.1665 -18.3858 27.9496 -18.3857 6.67453 -5.24388 27.9496 -5.24388 4.07236 GPRESSAVG: 56600 -24.5284 -21.9602 28.4782 -18.322 8.24776 -4.3775 27.3305 -4.21525 2.6038 TIMING: 56600 CPU: 177.761, 0.00312694/step Wall: 177.761, 0.00312694/step, 4.29381 hours remaining, 226.050781 MB of memory in use. ENERGY: 56600 3989.1905 20455.8604 14478.2149 243.1624 -203671.8097 2882.6839 0.0000 0.0000 52281.6848 -109341.0127 300.4636 -161622.6976 -108973.8279 299.7345 222.8609 252.7035 759353.2141 -4.4732 -4.5590 PRESSURE: 56800 -204.801 -138.786 103.07 -138.786 84.2808 -163.669 103.07 -163.669 -392.917 GPRESSURE: 56800 -204.074 -54.5143 -10.753 -163.748 84.6193 -170.324 4.28528 -105.681 -350.632 PRESSAVG: 56800 -21.6358 -37.5735 -60.4649 -37.5736 47.1548 1.75244 -60.4648 1.75243 -15.4076 GPRESSAVG: 56800 -21.7148 -35.9739 -60.7177 -34.8799 45.587 0.962138 -58.741 2.45611 -13.7546 TIMING: 56800 CPU: 178.391, 0.0031498/step Wall: 178.391, 0.0031498/step, 4.32502 hours remaining, 226.050781 MB of memory in use. ENERGY: 56800 4094.7457 20590.0693 14400.3067 258.1063 -203229.2780 2489.6845 0.0000 0.0000 52172.6520 -109223.7135 299.8369 -161396.3655 -108861.1220 299.6840 -171.1456 -156.6956 760301.7320 3.3705 3.3725 PRESSURE: 57000 -266.895 129.35 154.169 129.35 -100.696 261.2 154.169 261.201 189.767 GPRESSURE: 57000 -273.69 110.771 150.361 226.75 -31.6057 256.275 24.3048 241.782 204.405 PRESSAVG: 57000 -35.4972 -9.35209 -48.0745 -9.35209 30.474 -1.51653 -48.0746 -1.51647 35.1588 GPRESSAVG: 57000 -35.8091 -9.29224 -47.4059 -9.60601 30.9374 -2.40249 -51.9435 -1.29157 34.0661 TIMING: 57000 CPU: 179.018, 0.0031379/step Wall: 179.018, 0.0031379/step, 4.30852 hours remaining, 226.050781 MB of memory in use. ENERGY: 57000 3997.0197 20429.3685 14478.2976 226.9873 -203163.1573 2588.7504 0.0000 0.0000 52117.2259 -109325.5081 299.5184 -161442.7339 -108955.6823 299.8217 -59.2748 -33.6301 760493.6796 10.0452 9.7315 PRESSURE: 57200 -338.742 -22.9887 -163.36 -22.9888 -188.794 -99.7947 -163.359 -99.7952 27.1501 GPRESSURE: 57200 -306.831 22.0212 -58.5896 4.04946 -184.313 -118.956 -186.784 -80.4795 63.7118 PRESSAVG: 57200 46.8995 -22.6177 -12.5253 -22.6177 -50.3192 -37.7125 -12.5253 -37.7125 4.52649 GPRESSAVG: 57200 46.1227 -21.698 -11.9088 -22.65 -49.7278 -37.0596 -10.1278 -39.1897 4.32424 TIMING: 57200 CPU: 179.645, 0.00313339/step Wall: 179.645, 0.00313339/step, 4.30214 hours remaining, 226.050781 MB of memory in use. ENERGY: 57200 4021.3334 20546.1164 14375.1714 249.6570 -203343.8625 2785.4304 0.0000 0.0000 51879.9936 -109486.1604 298.1550 -161366.1540 -109125.5816 299.3872 -166.7953 -142.4772 761991.2790 0.3690 0.2397 PRESSURE: 57400 -159.064 -76.7205 -132.858 -76.7204 -237.258 -306.219 -132.858 -306.219 85.9596 GPRESSURE: 57400 -143.576 20.2244 -48.7794 -18.043 -193.989 -360.999 -151.389 -297.627 110.554 PRESSAVG: 57400 -0.46195 2.98733 -18.9337 2.98734 -8.19495 -54.2828 -18.9336 -54.2827 -18.5689 GPRESSAVG: 57400 -0.046376 2.48697 -18.025 1.95232 -9.27839 -54.907 -19.6621 -53.1318 -18.015 TIMING: 57400 CPU: 180.265, 0.00310072/step Wall: 180.265, 0.00310072/step, 4.25712 hours remaining, 226.050781 MB of memory in use. ENERGY: 57400 4039.2736 20505.8380 14462.5340 236.3593 -203063.0439 2464.7061 0.0000 0.0000 51882.5438 -109471.7890 298.1697 -161354.3328 -109112.3402 298.6786 -103.4543 -75.6701 762658.5372 -9.0753 -9.1132 PRESSURE: 57600 80.214 140.896 148.236 140.897 416.432 7.6165 148.236 7.61736 44.673 GPRESSURE: 57600 145.428 120.069 66.8005 -14.8126 372.766 80.8915 190.741 -57.2125 87.1762 PRESSAVG: 57600 -41.716 41.1727 -4.24675 41.1727 46.2331 -6.47737 -4.2468 -6.47742 5.38159 GPRESSAVG: 57600 -41.1823 41.5989 -4.55437 41.3217 46.5981 -5.45005 -2.99577 -8.04919 4.8485 TIMING: 57600 CPU: 180.889, 0.00311842/step Wall: 180.889, 0.00311842/step, 4.28124 hours remaining, 226.050781 MB of memory in use. ENERGY: 57600 3858.3550 20609.9972 14440.3623 244.9285 -203544.5475 2731.6959 0.0000 0.0000 52331.3613 -109327.8472 300.7491 -161659.2085 -108960.5458 299.3045 180.4398 201.7901 762143.1130 3.2996 3.4214 PRESSURE: 57800 -109.32 280.36 24.3734 280.36 -128.839 -90.9621 24.3731 -90.9625 106.255 GPRESSURE: 57800 -102.152 231.191 22.1744 296.238 -34.5783 -146.383 -121.772 -65.9977 104.592 PRESSAVG: 57800 -19.5027 -1.57201 -33.773 -1.572 18.107 6.23439 -33.773 6.23443 2.60124 GPRESSAVG: 57800 -20.8612 -2.00088 -34.9236 -1.11958 18.6494 5.61405 -34.0272 6.37886 3.83271 TIMING: 57800 CPU: 181.512, 0.00311564/step Wall: 181.512, 0.00311564/step, 4.27725 hours remaining, 226.050781 MB of memory in use. ENERGY: 57800 4044.0408 20501.7733 14504.5589 258.5596 -203080.4472 2692.4767 0.0000 0.0000 51824.2181 -109254.8197 297.8345 -161079.0378 -108894.9516 299.5937 -43.9683 -10.7125 762398.5838 0.4018 0.5403 PRESSURE: 58000 6.07686 50.5034 -40.6607 50.5035 -73.0222 172.582 -40.6607 172.583 -66.0205 GPRESSURE: 58000 45.786 116.366 -63.6786 58.4431 -54.2867 153.459 -78.4299 158.551 -45.7104 PRESSAVG: 58000 -29.155 -8.60592 -26.5114 -8.60596 35.786 7.40137 -26.5113 7.40147 -9.38641 GPRESSAVG: 58000 -28.8961 -8.8102 -26.2794 -8.20332 36.0156 7.94405 -24.1587 5.31329 -10.1407 TIMING: 58000 CPU: 182.136, 0.00312205/step Wall: 182.136, 0.00312205/step, 4.28588 hours remaining, 226.050781 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: 58000 4003.6440 20605.9598 14486.8351 243.1382 -203503.8734 2651.4400 0.0000 0.0000 52199.3692 -109313.4871 299.9905 -161512.8563 -108952.1219 299.2264 -44.3220 -18.0704 761875.3416 -0.9185 -1.0071 PRESSURE: 58200 -45.6017 -133.017 62.6381 -133.017 -201.177 99.4435 62.638 99.4439 -41.1832 GPRESSURE: 58200 74.1102 -132.579 -10.9175 -40.8419 -281.4 25.8744 60.0302 230.358 18.5897 PRESSAVG: 58200 -26.4921 12.7482 6.3425 12.7483 26.7861 -53.0127 6.34248 -53.0126 -8.43001 GPRESSAVG: 58200 -24.1609 11.4461 5.78187 13.5769 24.5496 -53.3616 4.23383 -50.4381 -8.58048 TIMING: 58200 CPU: 182.76, 0.00311667/step Wall: 182.76, 0.00311667/step, 4.27833 hours remaining, 226.050781 MB of memory in use. ENERGY: 58200 3889.5911 20500.5465 14490.1622 255.9785 -203083.4570 2343.0891 0.0000 0.0000 52155.6841 -109448.4058 299.7394 -161604.0898 -109085.0851 299.3157 -95.9873 -62.9000 762397.0091 -2.7120 -2.7306 PRESSURE: 58400 -39.7463 -4.03835 -112.19 -4.03832 -188.059 130.974 -112.19 130.975 -138.824 GPRESSURE: 58400 -42.6019 -13.0152 -147.372 -5.2025 -126.978 171.536 -58.5408 176.353 -105.102 PRESSAVG: 58400 -8.0782 -61.8602 -20.88 -61.8602 11.2433 22.023 -20.88 22.0231 13.9159 GPRESSAVG: 58400 -8.69603 -59.328 -20.7601 -64.8231 12.5331 23.3819 -20.0145 21.3355 13.1373 TIMING: 58400 CPU: 183.382, 0.00311269/step Wall: 183.382, 0.00311269/step, 4.27268 hours remaining, 226.050781 MB of memory in use. ENERGY: 58400 3989.0346 20478.1383 14416.3507 274.1456 -203600.2077 2721.9012 0.0000 0.0000 52214.4244 -109506.2129 300.0770 -161720.6373 -109147.8745 298.9812 -122.2100 -91.5608 760887.2576 5.6937 5.6581 PRESSURE: 58600 -251.067 -44.6614 -151.634 -44.6613 28.2738 -137.324 -151.634 -137.325 -24.7313 GPRESSURE: 58600 -234.354 -3.16297 -72.4046 -23.2136 80.499 -143.792 -230.152 -169.729 -10.3837 PRESSAVG: 58600 -41.978 -52.9355 23.7352 -52.9355 -30.9633 54.5642 23.7353 54.5641 26.7108 GPRESSAVG: 58600 -42.729 -55.759 24.8956 -51.9923 -30.7546 52.9749 22.834 56.0508 26.8879 TIMING: 58600 CPU: 184.007, 0.00312408/step Wall: 184.007, 0.00312408/step, 4.28815 hours remaining, 226.050781 MB of memory in use. ENERGY: 58600 3992.6428 20551.7974 14475.8812 254.5740 -203248.7957 2590.9323 0.0000 0.0000 52125.8402 -109257.1278 299.5679 -161382.9680 -108893.2039 299.2682 -82.5083 -54.7463 763019.2336 -15.4102 -15.5319 PRESSURE: 58800 173.473 -50.2104 -184.677 -50.2102 -15.9081 -17.4446 -184.677 -17.4442 267.486 GPRESSURE: 58800 250.921 17.9211 -147.612 3.97219 1.59693 -68.3839 -139.476 12.2556 233.673 PRESSAVG: 58800 -62.967 -49.0845 17.5632 -49.0844 74.9109 36.2984 17.5633 36.2984 -5.1792 GPRESSAVG: 58800 -62.8276 -46.9025 15.452 -49.0968 74.1257 37.7155 17.592 35.0333 -4.3677 TIMING: 58800 CPU: 184.633, 0.0031298/step Wall: 184.633, 0.0031298/step, 4.29582 hours remaining, 226.050781 MB of memory in use. ENERGY: 58800 3943.8393 20587.7371 14549.3820 252.1955 -203220.1195 2470.6725 0.0000 0.0000 52226.7455 -109189.5475 300.1478 -161416.2930 -108818.9974 299.8002 141.6836 162.0634 761188.1963 2.2549 2.3101 PRESSURE: 59000 107.843 -266.362 -192.881 -266.362 344.092 191.832 -192.881 191.831 -139.911 GPRESSURE: 59000 230.614 -167.562 -228.719 -278.569 246.494 139.609 -55.5923 129.072 -94.0263 PRESSAVG: 59000 11.0399 -50.7043 -1.46049 -50.7043 33.5742 37.5565 -1.46045 37.5565 1.34284 GPRESSAVG: 59000 11.1661 -51.3123 -0.659417 -51.9108 32.6887 37.6294 -0.36011 37.1677 1.7146 TIMING: 59000 CPU: 185.259, 0.00313082/step Wall: 185.259, 0.00313082/step, 4.29706 hours remaining, 226.050781 MB of memory in use. ENERGY: 59000 4025.9306 20721.5915 14576.2622 253.7753 -203123.1521 2722.7630 0.0000 0.0000 51921.9866 -108900.8431 298.3964 -160822.8296 -108542.8016 299.8891 104.0082 127.6937 762861.1293 15.3190 15.1898 PRESSURE: 59200 142.755 -31.3471 -55.297 -31.3476 162.751 -131.515 -55.2965 -131.516 409.214 GPRESSURE: 59200 198.517 -95.7681 -38.8444 107.539 111.6 -42.2182 -38.2583 -105.446 494.468 PRESSAVG: 59200 -15.4507 -39.7808 -10.6987 -39.7808 14.0066 29.0175 -10.6986 29.0175 13.5447 GPRESSAVG: 59200 -16.4578 -41.6282 -11.3978 -36.4089 14.8303 28.6646 -12.4492 28.8498 13.4722 TIMING: 59200 CPU: 185.885, 0.00312881/step Wall: 185.885, 0.00312881/step, 4.29411 hours remaining, 226.050781 MB of memory in use. ENERGY: 59200 3949.6895 20531.5603 14513.8951 272.8972 -203175.9137 2619.8242 0.0000 0.0000 52350.3349 -108937.7124 300.8581 -161288.0473 -108571.5111 300.0949 238.2399 268.1951 760202.4681 4.0335 3.9482 PRESSURE: 59400 -152.632 -56.0123 -123.431 -56.0119 46.1897 -2.01243 -123.431 -2.01233 6.76377 GPRESSURE: 59400 -114.094 -111.652 -34.6633 -17.8782 54.7045 -101.711 -75.4958 71.4023 56.7943 PRESSAVG: 59400 -34.8475 -20.4095 25.0463 -20.4094 42.3137 8.87856 25.0463 8.8787 -7.76853 GPRESSAVG: 59400 -34.174 -19.1156 25.5376 -21.9723 41.3837 6.35276 27.6429 11.2795 -7.47166 TIMING: 59400 CPU: 186.508, 0.00311544/step Wall: 186.508, 0.00311544/step, 4.2756 hours remaining, 226.050781 MB of memory in use. ENERGY: 59400 3989.9764 20677.1335 14527.4236 261.4981 -203165.1705 2509.6566 0.0000 0.0000 52302.4772 -108897.0051 300.5831 -161199.4823 -108530.3862 300.4370 -33.2261 -0.8649 761539.6150 -0.1008 -0.0873 PRESSURE: 59600 314.569 -99.87 161.566 -99.8697 -126.361 13.4742 161.566 13.476 -142.69 GPRESSURE: 59600 344.388 -163.314 74.3359 -120.583 -33.5008 50.7958 145.742 106.952 -165.484 PRESSAVG: 59600 -22.6211 -55.3413 -45.7958 -55.3414 27.1413 14.1534 -45.7958 14.1533 1.57595 GPRESSAVG: 59600 -24.0538 -55.4238 -46.73 -56.1748 29.4341 16.757 -45.6341 12.984 1.1384 TIMING: 59600 CPU: 187.129, 0.00310746/step Wall: 187.129, 0.00310746/step, 4.26447 hours remaining, 226.050781 MB of memory in use. ENERGY: 59600 4058.6086 20410.7943 14487.5094 254.9843 -203134.0556 2602.3374 0.0000 0.0000 52149.9997 -109169.8219 299.7068 -161319.8216 -108801.7437 299.7888 15.1728 48.4677 760656.5293 2.0320 2.1729 PRESSURE: 59800 -442.396 1.37049 -190.007 1.37078 -407.637 -185.545 -190.007 -185.544 -497.729 GPRESSURE: 59800 -375.275 -28.6294 -202.366 -78.3117 -405.369 -173.464 -191.664 -158.998 -489.9 PRESSAVG: 59800 -35.2321 -95.4488 -60.1342 -95.4488 13.7837 -27.1823 -60.1342 -27.1823 14.7848 GPRESSAVG: 59800 -34.8176 -95.3908 -59.9922 -93.915 13.0405 -28.4785 -59.6549 -26.4387 14.4384 TIMING: 59800 CPU: 187.753, 0.00311989/step Wall: 187.753, 0.00311989/step, 4.28136 hours remaining, 226.050781 MB of memory in use. ENERGY: 59800 4032.4509 20407.4631 14526.3277 241.9760 -202937.1571 2332.3985 0.0000 0.0000 52469.9354 -108926.6056 301.5454 -161396.5410 -108560.7088 299.9558 -449.2540 -423.5147 761912.0356 -2.2212 -2.4462 PRESSURE: 60000 -53.3029 -138.059 19.054 -138.06 149.82 58.9277 19.0531 58.928 -18.2753 GPRESSURE: 60000 -85.623 -103.408 15.3096 -147.081 185.541 37.1296 17.3314 72.6103 62.1011 PRESSAVG: 60000 -10.3824 -42.2812 27.4288 -42.2812 44.7313 21.1029 27.4288 21.1029 -1.37886 GPRESSAVG: 60000 -10.2188 -42.8214 27.5909 -44.0579 45.1702 20.5535 25.6057 19.746 -2.04746 TIMING: 60000 CPU: 188.378, 0.00312232/step Wall: 188.378, 0.00312232/step, 4.28452 hours remaining, 226.050781 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: 60000 4007.7422 20593.2669 14512.3925 255.9592 -203629.2411 2820.6300 0.0000 0.0000 52252.8374 -109186.4129 300.2978 -161439.2503 -108822.7017 300.0796 26.0805 54.0064 761011.9607 10.9900 10.9680 PRESSURE: 60200 302.869 -138.504 -351.13 -138.504 94.5766 10.2826 -351.129 10.2825 201.175 GPRESSURE: 60200 399.885 -215.798 -301.048 -53.6855 99.2237 114.133 -501.361 27.7558 167.919 PRESSAVG: 60200 -31.7075 -78.0994 27.0927 -78.0993 44.3623 -26.0204 27.0928 -26.0204 2.51747 GPRESSAVG: 60200 -32.5817 -77.2692 27.3689 -78.2725 44.0916 -24.2874 27.2369 -28.4396 3.52659 TIMING: 60200 CPU: 189.001, 0.00311413/step Wall: 189.001, 0.00311413/step, 4.27311 hours remaining, 226.050781 MB of memory in use. ENERGY: 60200 4048.1479 20599.9459 14392.0032 235.0949 -203192.6267 2675.1899 0.0000 0.0000 51890.6848 -109351.5601 298.2165 -161242.2449 -108989.5209 299.2444 199.5401 222.3424 763240.2332 5.0574 5.0122 LDB: ============= START OF LOAD BALANCING ============== 201.448 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 201.448 LDB: =============== DONE WITH MIGRATION ================ 201.45 LDB: ============= START OF LOAD BALANCING ============== 201.761 LDB: Largest compute 7026 load 0.034146 is 17.6% of average load 0.194524 LDB: Average compute 0.004386 is 2.3% of average load 0.194524 LDB: TIME 201.765 LOAD: AVG 0.194524 MAX 0.213768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.848 MB LDB: TIME 201.765 LOAD: AVG 0.194524 MAX 0.213768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.055 MB LDB: TIME 201.765 LOAD: AVG 0.194524 MAX 0.213768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.055 MB LDB: ============== END OF LOAD BALANCING =============== 201.768 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 201.772 PRESSURE: 60400 -178.732 -79.1649 26.3493 -79.1644 -31.0264 17.1255 26.3493 17.1259 -48.3895 GPRESSURE: 60400 -149.255 11.5552 -103.249 9.42145 34.5647 136.179 272.119 -99.0719 -62.6232 PRESSAVG: 60400 -43.1308 -55.5927 29.3389 -55.5927 -8.19718 14.1275 29.3389 14.1275 -4.39364 GPRESSAVG: 60400 -42.3829 -56.282 30.7607 -53.7973 -8.50002 13.6191 28.8381 16.393 -5.0931 TIMING: 60400 CPU: 189.636, 0.00317762/step Wall: 189.636, 0.00317762/step, 4.36005 hours remaining, 226.562500 MB of memory in use. ENERGY: 60400 3932.5439 20449.3518 14400.0806 261.6126 -203221.6039 2596.4543 0.0000 0.0000 52157.5009 -109424.0599 299.7499 -161581.5608 -109050.4830 298.6454 -86.0493 -59.1045 762173.6051 -18.5739 -18.6587 PRESSURE: 60600 -311.452 -59.5931 123.94 -59.5934 -90.125 -129.753 123.94 -129.752 23.0756 GPRESSURE: 60600 -165.626 -15.7225 39.158 -150.33 -142.709 -141.44 106.943 -166.096 28.0252 PRESSAVG: 60600 -47.3111 -35.5615 84.0199 -35.5614 42.9132 -34.0188 84.02 -34.0187 -17.1513 GPRESSAVG: 60600 -46.1781 -35.6657 82.8378 -35.0686 41.4101 -35.1121 85.4829 -33.7125 -16.9898 TIMING: 60600 CPU: 190.255, 0.00309582/step Wall: 190.255, 0.00309582/step, 4.24763 hours remaining, 227.261719 MB of memory in use. ENERGY: 60600 4005.5623 20526.2129 14424.4772 251.1632 -203240.0205 2473.9113 0.0000 0.0000 52028.1386 -109530.5551 299.0064 -161558.6937 -109167.4458 299.1863 -126.1672 -93.4368 762062.1997 -7.1831 -7.2526 PRESSURE: 60800 -610.008 0.157029 298.745 0.157775 -294.826 -24.715 298.745 -24.714 -164.73 GPRESSURE: 60800 -574.144 13.2315 268.393 -13.0024 -236.923 -35.8739 191.884 40.3552 -140.564 PRESSAVG: 60800 -43.0324 26.1377 -8.86389 26.1377 63.4781 -28.4382 -8.86391 -28.4382 12.2562 GPRESSAVG: 60800 -43.8865 26.0445 -10.5482 22.9486 62.8577 -27.1682 -8.37429 -28.3128 13.5648 TIMING: 60800 CPU: 190.875, 0.00309942/step Wall: 190.875, 0.00309942/step, 4.25241 hours remaining, 227.261719 MB of memory in use. ENERGY: 60800 3999.9391 20506.9212 14505.3448 256.6546 -202787.5146 2326.5567 0.0000 0.0000 51883.5709 -109308.5273 298.1756 -161192.0982 -108939.3810 298.8258 -356.5214 -317.2103 761875.0870 10.9006 10.8453 PRESSURE: 61000 -144.784 195.49 -150.833 195.49 -178.007 -105.792 -150.833 -105.792 -160.5 GPRESSURE: 61000 -121.477 148.662 -91.6507 276.076 -113.72 -52.4249 -29.2546 -151.079 -146.326 PRESSAVG: 61000 -24.8075 -10.5324 -3.26893 -10.5324 -4.90014 35.3233 -3.26891 35.3233 -4.32446 GPRESSAVG: 61000 -25.6077 -11.1796 -1.18224 -9.99277 -3.48323 35.3028 -4.91881 35.3167 -5.24413 TIMING: 61000 CPU: 191.496, 0.00310351/step Wall: 191.496, 0.00310351/step, 4.25784 hours remaining, 227.261719 MB of memory in use. ENERGY: 61000 3964.4468 20638.5475 14433.6372 257.8902 -202862.7450 2513.5937 0.0000 0.0000 51994.0697 -109060.5600 298.8106 -161054.6297 -108691.6713 299.6645 -161.0968 -127.1742 761827.3496 -11.3440 -11.4450 PRESSURE: 61200 331.707 -164.8 42.4494 -164.8 132.462 -56.3715 42.449 -56.3713 -288.486 GPRESSURE: 61200 391.734 -132.459 37.3077 -105.635 73.3317 -23.8146 43.3899 17.3763 -213.49 PRESSAVG: 61200 17.5406 -9.30686 -22.3369 -9.30685 -32.1943 -12.2513 -22.3369 -12.2513 -17.6243 GPRESSAVG: 61200 17.1958 -9.42283 -23.0954 -8.28403 -32.6928 -11.4261 -20.7097 -10.0877 -16.6804 TIMING: 61200 CPU: 192.118, 0.00311229/step Wall: 192.118, 0.00311229/step, 4.26972 hours remaining, 227.261719 MB of memory in use. ENERGY: 61200 4015.8456 20673.5623 14413.0242 253.5485 -202923.6365 2575.0512 0.0000 0.0000 51866.7621 -109125.8425 298.0790 -160992.6046 -108764.6011 299.2125 58.5608 83.8584 760705.1098 -10.7593 -10.7258 PRESSURE: 61400 -186.507 16.8021 -210.547 16.8031 -150.74 -166.361 -210.547 -166.361 443.899 GPRESSURE: 61400 -84.1854 21.0497 -161.759 -46.3366 -15.6002 -69.6684 -213.947 -185.439 277.658 PRESSAVG: 61400 -68.1852 -50.8973 -12.1653 -50.8973 69.2498 -22.1999 -12.1654 -22.1999 -16.6073 GPRESSAVG: 61400 -67.3763 -49.7636 -12.7328 -52.1165 70.1986 -22.3917 -12.3848 -25.9108 -17.4182 TIMING: 61400 CPU: 192.743, 0.00312109/step Wall: 192.743, 0.00312109/step, 4.28161 hours remaining, 227.261719 MB of memory in use. ENERGY: 61400 3951.1389 20695.2819 14430.3056 253.7617 -203358.5297 2751.3476 0.0000 0.0000 52042.4053 -109234.2885 299.0884 -161276.6939 -108878.2336 299.5638 35.5507 59.2907 761200.0916 -5.1809 -4.8653 PRESSURE: 61600 -380.245 91.4081 147.229 91.4085 47.5722 91.0987 147.228 91.0992 -567.037 GPRESSURE: 61600 -293.202 190.034 67.6419 100.351 -37.2724 52.7798 266.193 -9.30671 -487.089 PRESSAVG: 61600 -52.3625 -5.77489 10.6158 -5.77488 15.6614 -14.8753 10.6158 -14.8752 -1.36918 GPRESSAVG: 61600 -51.7815 -5.59908 10.9558 -4.71168 15.8073 -15.447 10.3545 -12.8775 -2.29019 TIMING: 61600 CPU: 193.367, 0.00312178/step Wall: 193.367, 0.00312178/step, 4.28239 hours remaining, 227.261719 MB of memory in use. ENERGY: 61600 4040.0609 20597.7950 14484.3952 251.5988 -203184.1775 2543.2602 0.0000 0.0000 51963.9307 -109303.1367 298.6374 -161267.0674 -108940.8953 299.3471 -299.9032 -272.5211 761290.9762 -12.6901 -12.7548 PRESSURE: 61800 -127.098 23.4059 103.075 23.4057 200.1 -226.294 103.074 -226.294 220.549 GPRESSURE: 61800 -126.921 46.1984 129.56 -27.9457 243.175 -216.454 15.4651 -179.039 278.412 PRESSAVG: 61800 -30.6421 -49.314 34.5328 -49.314 68.3032 12.9643 34.5328 12.9642 17.211 GPRESSAVG: 61800 -30.6164 -49.8642 35.1659 -49.5004 68.1803 13.7756 33.4478 11.902 17.2455 TIMING: 61800 CPU: 193.992, 0.00312338/step Wall: 193.992, 0.00312338/step, 4.28441 hours remaining, 227.261719 MB of memory in use. ENERGY: 61800 3993.0999 20718.3062 14495.6095 258.5800 -203301.6075 2735.3546 0.0000 0.0000 51792.1635 -109308.4938 297.6503 -161100.6573 -108950.0524 299.8398 97.8504 131.5555 760981.1470 18.2907 18.2698 PRESSURE: 62000 222.577 -231.175 -144.339 -231.174 34.249 -45.1853 -144.338 -45.1852 -74.7243 GPRESSURE: 62000 235.28 -162.334 -84.8126 -313.619 203.904 -115.802 -105.983 31.5361 -146.025 PRESSAVG: 62000 15.9509 3.67345 -17.7157 3.67346 13.4606 -53.721 -17.7156 -53.721 10.3913 GPRESSAVG: 62000 15.5771 4.59563 -16.6156 1.6578 13.1213 -53.8348 -18.4679 -52.5589 11.274 TIMING: 62000 CPU: 194.619, 0.00313561/step Wall: 194.619, 0.00313561/step, 4.301 hours remaining, 227.261719 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: 62000 4031.8396 20549.8968 14471.9972 237.0107 -203669.9813 2866.5020 0.0000 0.0000 51927.6674 -109585.0675 298.4290 -161512.7349 -109233.2467 299.0203 60.7005 97.7196 760845.1437 13.2676 13.3241 PRESSURE: 62200 -297.959 -258.406 -112.944 -258.406 128.426 37.5267 -112.944 37.527 170.425 GPRESSURE: 62200 -246.54 -198.106 -209.897 -159.207 75.3908 -12.686 -151.927 31.1378 279.627 PRESSAVG: 62200 -41.4425 -56.8376 1.60063 -56.8376 37.5021 42.0928 1.60058 42.0928 9.95063 GPRESSAVG: 62200 -42.8644 -57.0636 0.32531 -56.2655 39.282 42.0248 2.45387 43.4298 9.89054 TIMING: 62200 CPU: 195.243, 0.00311876/step Wall: 195.243, 0.00311876/step, 4.27772 hours remaining, 227.261719 MB of memory in use. ENERGY: 62200 3974.4492 20494.1932 14495.9599 233.6678 -203386.5523 2647.9507 0.0000 0.0000 51970.7404 -109569.5910 298.6766 -161540.3314 -109202.2152 298.6456 0.2972 36.1592 761821.5416 2.0034 2.1027 PRESSURE: 62400 -256.789 -22.142 84.6319 -22.1418 107.26 41.052 84.6317 41.0521 -378.531 GPRESSURE: 62400 -227.5 -0.537063 -23.5287 -47.6037 126.71 56.1687 119.938 75.917 -348.68 PRESSAVG: 62400 -60.0429 -76.7021 -1.29193 -76.7021 78.4667 -10.7409 -1.29193 -10.7408 3.16854 GPRESSAVG: 62400 -58.3708 -77.227 -2.68825 -75.3545 76.3622 -10.9422 -1.32788 -10.5249 3.39999 TIMING: 62400 CPU: 195.869, 0.00313358/step Wall: 195.869, 0.00313358/step, 4.29788 hours remaining, 227.261719 MB of memory in use. ENERGY: 62400 3961.9462 20592.6449 14471.1776 241.4025 -203186.8136 2350.6746 0.0000 0.0000 51947.4334 -109621.5344 298.5426 -161568.9678 -109249.6486 298.3482 -176.0198 -149.8236 761187.4713 7.1974 7.1305 PRESSURE: 62600 -338.563 -226.006 125.441 -226.008 -494.042 -6.99967 125.44 -7.00046 -328.696 GPRESSURE: 62600 -301.374 -249.078 52.8971 -128.946 -532.659 -79.8392 19.3822 67.1138 -246.75 PRESSAVG: 62600 13.3474 -36.7802 5.2302 -36.7801 -15.1943 -31.5028 5.23018 -31.5028 -16.9718 GPRESSAVG: 62600 14.2282 -35.0343 5.82105 -36.8031 -15.5355 -33.1163 5.28182 -33.7586 -17.055 TIMING: 62600 CPU: 196.494, 0.00312313/step Wall: 196.494, 0.00312313/step, 4.28337 hours remaining, 227.261719 MB of memory in use. ENERGY: 62600 3974.6884 20440.9102 14446.0908 258.3503 -202924.0356 2186.5046 0.0000 0.0000 51839.9994 -109777.4919 297.9252 -161617.4913 -109413.9465 298.4235 -387.1002 -360.2611 763575.7676 -6.2729 -6.1208 PRESSURE: 62800 -179.252 115.597 -95.5503 115.597 -301.746 -46.6943 -95.5499 -46.695 -12.3094 GPRESSURE: 62800 -184.44 155.665 -10.7529 60.2793 -155.995 -37.3124 -19.5927 -77.4243 -67.1414 PRESSAVG: 62800 -16.9912 -16.3684 16.9757 -16.3684 22.2573 5.72944 16.9756 5.72935 23.5605 GPRESSAVG: 62800 -18.4419 -18.3898 17.5415 -18.3635 24.598 8.04944 19.1114 6.19281 23.0211 TIMING: 62800 CPU: 197.121, 0.00313525/step Wall: 197.121, 0.00313525/step, 4.29982 hours remaining, 227.261719 MB of memory in use. ENERGY: 62800 3989.9363 20392.7830 14359.1033 243.5038 -203421.9065 2564.7568 0.0000 0.0000 51852.4793 -110019.3440 297.9969 -161871.8233 -109663.9475 297.4509 -164.4360 -135.8589 764389.9546 9.6089 9.7257 PRESSURE: 63000 -257.794 -67.7668 -121.168 -67.7666 129.076 -117.406 -121.168 -117.407 261.418 GPRESSURE: 63000 -197.126 20.3202 -107.042 -23.6477 56.9499 -209.219 -122.504 -89.7333 359.38 PRESSAVG: 63000 -15.6129 -8.9879 57.5174 -8.98792 22.5499 -10.8296 57.5174 -10.8296 -15.2485 GPRESSAVG: 63000 -14.419 -6.35508 57.0605 -8.79202 20.5925 -11.3138 58.0669 -11.9464 -14.5257 TIMING: 63000 CPU: 197.745, 0.00312099/step Wall: 197.745, 0.00312099/step, 4.28009 hours remaining, 227.261719 MB of memory in use. ENERGY: 63000 3982.0412 20395.8544 14429.3442 245.4865 -203597.9357 2630.2001 0.0000 0.0000 52039.5757 -109875.4337 299.0722 -161915.0094 -109510.7690 297.8425 44.2336 73.0680 761563.8335 -2.7705 -2.7841 PRESSURE: 63200 28.6588 322.061 -11.5401 322.061 -284.906 85.6331 -11.5403 85.633 5.99313 GPRESSURE: 63200 10.0477 280.906 -24.6233 226.144 -213.421 -20.4386 -158.083 9.327 66.9897 PRESSAVG: 63200 25.9905 -32.6729 61.881 -32.6728 -19.0861 2.7952 61.881 2.79512 21.7747 GPRESSAVG: 63200 25.9577 -34.9421 63.9233 -31.0801 -17.6656 3.40471 60.5116 3.2185 20.531 TIMING: 63200 CPU: 198.373, 0.00314123/step Wall: 198.373, 0.00314123/step, 4.30767 hours remaining, 227.261719 MB of memory in use. ENERGY: 63200 3926.6129 20663.3696 14447.7964 261.4281 -203080.9959 2357.1484 0.0000 0.0000 51858.4863 -109566.1541 298.0314 -161424.6404 -109200.8154 298.1166 -83.4179 -45.4614 762264.7463 9.5597 9.6077 PRESSURE: 63400 278.682 165.981 -56.3765 165.981 -271.608 2.67462 -56.3759 2.67499 93.8472 GPRESSURE: 63400 199.373 222.833 -19.1158 88.1453 -170.033 47.2894 -113.764 16.625 151.951 PRESSAVG: 63400 -18.6275 -13.4621 -23.2989 -13.4621 -7.65271 9.25872 -23.2988 9.25874 -16.8816 GPRESSAVG: 63400 -19.8269 -12.0085 -24.3188 -15.9485 -7.79721 8.18906 -25.4025 8.17833 -15.5238 TIMING: 63400 CPU: 198.996, 0.0031156/step Wall: 198.996, 0.0031156/step, 4.27235 hours remaining, 227.285156 MB of memory in use. ENERGY: 63400 3962.4558 20496.0212 14502.2218 258.4476 -203524.5395 2785.1789 0.0000 0.0000 52191.0328 -109329.1815 299.9426 -161520.2143 -108970.9726 298.9656 33.6402 60.4304 761393.3303 -14.3873 -14.3826 PRESSURE: 63600 -369.899 -126.044 25.2641 -126.044 -173.428 -288.908 25.264 -288.907 -165.739 GPRESSURE: 63600 -324.539 -239.855 62.9479 3.82847 -163.575 -227.407 244.23 -260.848 -148.854 PRESSAVG: 63600 38.1479 -44.1398 24.3793 -44.1398 -15.5999 -58.6529 24.3792 -58.653 23.186 GPRESSAVG: 63600 38.3351 -44.1391 24.0393 -43.8998 -15.6085 -58.177 27.8249 -57.5825 22.968 TIMING: 63600 CPU: 199.623, 0.00313271/step Wall: 199.623, 0.00313271/step, 4.29564 hours remaining, 227.285156 MB of memory in use. ENERGY: 63600 4030.0486 20621.9659 14434.9595 266.3088 -202842.1236 2259.6877 0.0000 0.0000 52007.9813 -109221.1718 298.8906 -161229.1532 -108866.9408 299.8040 -236.3556 -212.3229 763066.7214 15.2447 15.2315 PRESSURE: 63800 -48.9158 101.895 -135.035 101.895 52.6934 118.052 -135.035 118.051 -9.35418 GPRESSURE: 63800 15.3645 93.0472 -134.065 61.6432 16.5516 108.476 -129.525 137.899 30.2908 PRESSAVG: 63800 3.76477 -42.1036 17.2208 -42.1037 31.4807 -6.11161 17.2208 -6.11156 3.29033 GPRESSAVG: 63800 4.142 -42.5403 16.983 -42.5928 30.4575 -7.6799 17.2455 -5.7695 3.38637 TIMING: 63800 CPU: 200.246, 0.00311547/step Wall: 200.246, 0.00311547/step, 4.27183 hours remaining, 227.285156 MB of memory in use. ENERGY: 63800 3985.6595 20560.8923 14469.1512 247.9928 -202835.0003 2218.6503 0.0000 0.0000 52267.1814 -109085.4728 300.3802 -161352.6542 -108711.4615 299.9209 -1.8588 20.7356 760350.8980 12.8453 12.6620 PRESSURE: 64000 18.1793 -53.611 148.578 -53.6109 -113.58 315.687 148.577 315.686 -310.114 GPRESSURE: 64000 114.741 -49.3245 187.985 -25.7233 -106.448 322.653 145.862 287.529 -318.543 PRESSAVG: 64000 60.8428 -14.3704 30.4909 -14.3704 -12.1048 -18.9135 30.4909 -18.9136 18.2887 GPRESSAVG: 64000 61.4363 -15.3355 29.9592 -13.6305 -12.2165 -17.9909 27.7918 -17.3406 18.1341 TIMING: 64000 CPU: 200.875, 0.00314233/step Wall: 200.875, 0.00314233/step, 4.30848 hours remaining, 227.335938 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: 64000 4096.9464 20595.2056 14430.0042 224.2488 -202638.7767 2232.4708 0.0000 0.0000 52154.9113 -108904.9895 299.7350 -161059.9009 -108550.8341 299.8051 -135.1715 -103.4166 762263.6345 22.3422 22.4513 PRESSURE: 64200 -384.894 111.288 -2.53866 111.289 39.7171 29.5594 -2.53904 29.559 -41.4953 GPRESSURE: 64200 -358.859 276.934 18.2081 164.36 87.556 99.8169 -7.37536 124.944 -46.9991 PRESSAVG: 64200 47.5195 -35.7133 -58.0652 -35.7133 -66.767 -20.8031 -58.0652 -20.803 6.28041 GPRESSAVG: 64200 45.9821 -33.5245 -58.7122 -34.1801 -65.1493 -20.3408 -57.6678 -23.014 6.15578 TIMING: 64200 CPU: 201.501, 0.00313145/step Wall: 201.501, 0.00313145/step, 4.29339 hours remaining, 227.335938 MB of memory in use. ENERGY: 64200 3953.1992 20673.0171 14432.9216 240.4241 -202867.7382 2344.5239 0.0000 0.0000 52163.6592 -109059.9931 299.7853 -161223.6523 -108694.4419 300.1799 -128.8908 -106.1006 762921.2905 -4.3224 -4.3371 LDB: ============= START OF LOAD BALANCING ============== 213.949 LDB: ============== END OF LOAD BALANCING =============== 213.949 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 213.951 LDB: ============= START OF LOAD BALANCING ============== 214.267 LDB: Largest compute 7076 load 0.034747 is 17.9% of average load 0.194567 LDB: Average compute 0.004391 is 2.3% of average load 0.194567 LDB: TIME 214.271 LOAD: AVG 0.194567 MAX 0.214426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.449 MB LDB: TIME 214.271 LOAD: AVG 0.194567 MAX 0.214426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.547 MB LDB: TIME 214.271 LOAD: AVG 0.194567 MAX 0.214426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.547 MB LDB: ============== END OF LOAD BALANCING =============== 214.273 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 214.278 PRESSURE: 64400 -290.389 -121.066 37.4841 -121.067 -236.874 -183.881 37.4844 -183.883 -376.374 GPRESSURE: 64400 -251.322 -71.2431 91.8286 -77.955 -165.932 -176.049 -85.3477 -173.051 -390.711 PRESSAVG: 64400 38.6888 25.4803 27.3643 25.4803 -13.3944 28.4809 27.3643 28.4808 0.243706 GPRESSAVG: 64400 39.0164 25.0862 27.9894 24.3558 -12.7355 28.2759 28.0683 29.9846 -0.33297 TIMING: 64400 CPU: 202.142, 0.00320636/step Wall: 202.142, 0.00320636/step, 4.39592 hours remaining, 228.027344 MB of memory in use. ENERGY: 64400 4031.6133 20626.5774 14477.6669 272.7808 -203396.2263 2689.5621 0.0000 0.0000 52270.6332 -109027.3926 300.4000 -161298.0258 -108672.3718 300.2891 -301.2122 -269.3219 761992.3794 8.5127 8.6493 PRESSURE: 64600 -21.7342 15.6589 -70.2347 15.6587 -22.6928 8.9818 -70.2342 8.9821 378.15 GPRESSURE: 64600 6.31496 -77.36 -124.674 66.8676 77.2708 -5.46169 -87.6593 -35.0925 348.208 PRESSAVG: 64600 33.9238 36.5265 41.3816 36.5265 -0.6695 -31.6655 41.3815 -31.6656 -3.99018 GPRESSAVG: 64600 35.9307 35.3015 41.9075 37.8665 -3.4249 -32.1283 43.2943 -31.1402 -3.19858 TIMING: 64600 CPU: 202.773, 0.00315336/step Wall: 202.773, 0.00315336/step, 4.32308 hours remaining, 228.027344 MB of memory in use. ENERGY: 64600 3913.8792 20473.9139 14475.2838 219.8438 -203077.2886 2682.0211 0.0000 0.0000 52173.5455 -109138.8012 299.8421 -161312.3467 -108777.9282 300.0480 111.2409 143.9313 762618.4961 9.7547 9.7691 PRESSURE: 64800 481.353 294.983 -34.999 294.983 -46.0131 -124.36 -34.9983 -124.359 -478.918 GPRESSURE: 64800 472.038 282.282 32.0492 170.814 1.39393 -127.355 -24.3485 -101.694 -421.834 PRESSAVG: 64800 82.2761 48.5012 -20.7801 48.5012 -83.9599 -2.10066 -20.7801 -2.10067 -12.4026 GPRESSAVG: 64800 80.626 49.8334 -19.4825 44.8688 -83.1717 -2.52533 -23.9459 -1.76724 -11.993 TIMING: 64800 CPU: 203.403, 0.00315197/step Wall: 203.403, 0.00315197/step, 4.321 hours remaining, 228.027344 MB of memory in use. ENERGY: 64800 4038.8503 20558.4403 14409.7816 247.7691 -203297.6436 2608.2669 0.0000 0.0000 52101.2557 -109333.2798 299.4266 -161434.5355 -108968.6400 299.4346 -14.5259 17.1995 761772.9724 -4.6955 -4.8462 PRESSURE: 65000 134.586 -124.324 7.03714 -124.324 -126.466 153.486 7.0363 153.486 96.0575 GPRESSURE: 65000 132.692 -265.798 77.1868 -37.5053 -68.3986 204.123 -72.0803 51.9446 104.737 PRESSAVG: 65000 40.594 17.3417 11.7605 17.3417 -2.67986 -26.9397 11.7605 -26.9397 -2.19342 GPRESSAVG: 65000 41.3707 15.1869 10.9816 20.5795 -3.11089 -26.4882 14.2162 -27.106 -3.07664 TIMING: 65000 CPU: 204.03, 0.00313188/step Wall: 204.03, 0.00313188/step, 4.29328 hours remaining, 228.027344 MB of memory in use. ENERGY: 65000 3938.3680 20462.5403 14565.9363 251.5852 -203155.7399 2619.5228 0.0000 0.0000 51991.2844 -109326.5030 298.7946 -161317.7874 -108962.3813 299.5592 34.7256 56.3433 762432.8571 11.9069 11.7277 PRESSURE: 65200 140.813 -74.2456 -0.785461 -74.246 42.9503 -4.08402 -0.784385 -4.08418 264.465 GPRESSURE: 65200 110.28 -82.8702 3.57742 -95.1329 127.647 -39.7068 43.3028 7.3859 278.542 PRESSAVG: 65200 -48.1849 -3.5773 6.40199 -3.57724 45.0162 15.7177 6.402 15.7179 3.53471 GPRESSAVG: 65200 -49.2299 -4.21282 6.57409 -3.3702 44.744 17.6912 7.78846 12.8902 3.8474 TIMING: 65200 CPU: 204.656, 0.00313402/step Wall: 204.656, 0.00313402/step, 4.29605 hours remaining, 228.027344 MB of memory in use. ENERGY: 65200 4002.6614 20559.5627 14536.7462 247.4063 -203257.7640 2692.2843 0.0000 0.0000 51767.8707 -109451.2324 297.5107 -161219.1031 -109096.3189 298.8073 149.4093 172.1563 761333.0830 0.1220 -0.2128 PRESSURE: 65400 -86.3699 -150.299 2.47598 -150.299 -0.108319 211.866 2.4754 211.865 -128.671 GPRESSURE: 65400 37.0685 -61.1631 1.64242 -123.512 -0.265076 186.787 -82.8255 169.758 -134.71 PRESSAVG: 65400 51.0029 -24.2451 37.7244 -24.245 -46.2773 -12.1936 37.7243 -12.1936 -11.1324 GPRESSAVG: 65400 51.5473 -21.8976 39.0955 -24.8141 -45.9258 -12.8998 35.4264 -11.1483 -11.2174 TIMING: 65400 CPU: 205.284, 0.00313563/step Wall: 205.284, 0.00313563/step, 4.29807 hours remaining, 228.027344 MB of memory in use. ENERGY: 65400 4050.4558 20347.8656 14475.8861 249.2701 -203033.5460 2510.4726 0.0000 0.0000 51916.5614 -109483.0346 298.3652 -161399.5960 -109120.0474 299.0427 -71.7166 -32.6356 760636.2644 -2.1356 -1.8653 PRESSURE: 65600 17.745 -72.9756 -169.441 -72.9764 223.56 -17.5273 -169.441 -17.5281 342.947 GPRESSURE: 65600 60.7969 -210.492 -76.0193 -74.5659 365.507 4.19055 -183.441 -91.4544 258.458 PRESSAVG: 65600 55.4435 -72.0875 29.0414 -72.0875 22.9852 42.3509 29.0414 42.3509 -20.9244 GPRESSAVG: 65600 55.6717 -73.2333 25.6469 -72.6409 22.5349 40.6037 28.7226 43.6478 -20.8754 TIMING: 65600 CPU: 205.918, 0.00317258/step Wall: 205.918, 0.00317258/step, 4.34855 hours remaining, 228.027344 MB of memory in use. ENERGY: 65600 3951.5552 20413.4013 14490.8649 225.9356 -203589.8646 2788.3595 0.0000 0.0000 52181.4738 -109538.2743 299.8876 -161719.7481 -109172.4502 298.9135 194.7507 228.2538 760311.8784 19.1681 19.1104 PRESSURE: 65800 -113.582 -55.9091 79.0089 -55.9101 -161.24 79.9311 79.0088 79.9311 -85.2626 GPRESSURE: 65800 -108.342 30.7951 5.40487 -71.3391 -166.32 9.94058 47.4221 118.974 13.3286 PRESSAVG: 65800 19.6089 -31.6294 41.1196 -31.6294 -9.08837 38.0719 41.1195 38.0719 14.8532 GPRESSAVG: 65800 18.4644 -31.9851 42.7537 -30.0366 -8.76645 39.5179 41.7718 39.8218 15.3384 TIMING: 65800 CPU: 206.553, 0.00317626/step Wall: 206.553, 0.00317626/step, 4.35341 hours remaining, 228.027344 MB of memory in use. ENERGY: 65800 4024.3155 20407.2111 14501.9565 248.6160 -203374.0808 2476.0756 0.0000 0.0000 52237.9391 -109477.9671 300.2122 -161715.9062 -109102.3214 298.6515 -120.0283 -87.1114 761616.7923 8.4579 8.3455 PRESSURE: 66000 -183.756 88.2435 68.728 88.2434 -43.5416 -0.019373 68.7284 -0.0188971 31.9637 GPRESSURE: 66000 -153.07 64.9104 5.09063 140.62 0.905197 10.6484 27.2867 36.1996 48.0316 PRESSAVG: 66000 5.58199 -22.1155 2.80468 -22.1154 10.4363 85.4729 2.80465 85.473 -24.532 GPRESSAVG: 66000 6.36404 -21.4136 3.38202 -23.4671 10.4909 86.1756 2.64812 82.1323 -25.1573 TIMING: 66000 CPU: 207.186, 0.00316318/step Wall: 207.186, 0.00316318/step, 4.33531 hours remaining, 228.027344 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: 66000 3984.2282 20470.4813 14485.8103 223.4430 -203317.0652 2587.4656 0.0000 0.0000 52128.3786 -109437.2580 299.5825 -161565.6366 -109078.3152 298.7406 -65.1113 -34.7110 761620.5009 -2.8379 -2.7674 PRESSURE: 66200 290.258 50.8759 113.157 50.876 133.966 192.165 113.157 192.164 300.067 GPRESSURE: 66200 284.726 -36.5923 76.2514 20.892 148.783 153.762 12.3538 129.625 382.974 PRESSAVG: 66200 51.4194 15.6971 38.3984 15.6972 -40.4793 54.4656 38.3984 54.4656 28.4146 GPRESSAVG: 66200 50.9338 14.7158 38.5216 15.195 -40.3768 53.0145 36.723 55.261 28.3913 TIMING: 66200 CPU: 207.817, 0.00315361/step Wall: 207.817, 0.00315361/step, 4.32203 hours remaining, 228.027344 MB of memory in use. ENERGY: 66200 3964.0011 20407.0047 14493.6794 225.7249 -203228.1262 2479.0908 0.0000 0.0000 51955.2704 -109703.3551 298.5877 -161658.6254 -109351.4071 298.7049 241.4306 272.1610 761188.8615 13.1182 12.9828 PRESSURE: 66400 -111.808 239.956 -127.826 239.956 284.542 -106.172 -127.826 -106.172 -94.0074 GPRESSURE: 66400 -83.554 192.595 -86.1301 356.371 318.404 -13.355 4.22113 -167.744 -78.6536 PRESSAVG: 66400 24.4119 34.5931 9.30283 34.593 -3.79046 -10.3273 9.30278 -10.3272 24.653 GPRESSAVG: 66400 24.3218 36.1913 7.21931 36.8152 -4.08894 -9.10537 14.219 -10.008 25.4903 TIMING: 66400 CPU: 208.451, 0.00317084/step Wall: 208.451, 0.00317084/step, 4.34546 hours remaining, 228.027344 MB of memory in use. ENERGY: 66400 4006.8375 20438.3799 14498.5409 242.9241 -203320.2535 2537.1464 0.0000 0.0000 51962.0680 -109634.3567 298.6267 -161596.4247 -109270.9437 298.6469 26.2421 52.0654 760382.0382 15.0915 15.2411 PRESSURE: 66600 -60.4361 94.3369 -35.7456 94.3368 -216.211 11.8387 -35.7455 11.8386 -91.0663 GPRESSURE: 66600 -11.832 154.962 25.6324 77.4013 -200.1 48.7198 -111.747 -22.6158 -64.8349 PRESSAVG: 66600 -16.4842 -0.390844 -15.2271 -0.390828 8.17209 -18.3352 -15.2272 -18.3351 6.14686 GPRESSAVG: 66600 -15.0131 -1.33078 -13.8908 -1.46452 8.30972 -18.5476 -19.8656 -18.6767 4.87576 TIMING: 66600 CPU: 209.083, 0.00315908/step Wall: 209.083, 0.00315908/step, 4.32916 hours remaining, 228.027344 MB of memory in use. ENERGY: 66600 4060.6385 20480.2356 14418.9502 259.6622 -203631.1196 2617.6954 0.0000 0.0000 52088.0287 -109705.9091 299.3506 -161793.9377 -109344.4571 298.5898 -122.5713 -92.2556 761228.4526 -0.7217 -0.6092 PRESSURE: 66800 -217.448 222.214 -189.471 222.215 160.766 132.344 -189.471 132.344 108.948 GPRESSURE: 66800 -176.565 265.052 -107.64 255.605 118.56 129.563 106.712 13.7038 174.604 PRESSAVG: 66800 27.3008 68.4373 0.230807 68.4373 -54.551 17.5441 0.230851 17.5441 3.8692 GPRESSAVG: 66800 26.7224 70.12 -0.442207 67.907 -55.1075 17.6892 2.25605 15.9855 4.68297 TIMING: 66800 CPU: 209.715, 0.0031633/step Wall: 209.715, 0.0031633/step, 4.33477 hours remaining, 228.027344 MB of memory in use. ENERGY: 66800 3940.3808 20544.0111 14447.2743 253.2056 -203169.7452 2463.0949 0.0000 0.0000 51922.5120 -109599.2666 298.3994 -161521.7786 -109241.5695 298.5620 17.4217 38.8663 761937.8687 -7.7937 -7.9007 PRESSURE: 67000 286.508 -119.32 -78.6574 -119.32 172.524 31.7859 -78.6571 31.7862 51.7275 GPRESSURE: 67000 249.073 -108.968 -50.6144 -106.155 308.059 -12.7796 -136.732 141.96 35.7262 PRESSAVG: 67000 -1.61384 63.5713 -23.5428 63.5713 -14.1804 -15.1578 -23.5428 -15.1578 5.11706 GPRESSAVG: 67000 -1.59375 63.4617 -22.7052 63.9851 -13.6182 -16.4976 -22.2154 -12.6226 4.29238 TIMING: 67000 CPU: 210.35, 0.00317457/step Wall: 210.35, 0.00317457/step, 4.35004 hours remaining, 228.027344 MB of memory in use. ENERGY: 67000 3967.7244 20552.1548 14483.8203 265.3085 -203708.6057 2903.4470 0.0000 0.0000 52044.2268 -109491.9239 299.0989 -161536.1507 -109133.1662 299.0384 170.2531 197.6197 761412.1683 -3.5591 -3.6399 PRESSURE: 67200 -189.847 38.6516 13.0817 38.6508 229.326 35.4855 13.0818 35.4838 121.07 GPRESSURE: 67200 -132.158 85.1895 50.5885 55.685 289.901 46.0544 -73.4875 86.6589 107.422 PRESSAVG: 67200 -7.25155 18.3327 59.1634 18.3327 14.3644 -3.52126 59.1634 -3.52133 17.4444 GPRESSAVG: 67200 -6.52663 18.2346 57.9037 18.9202 12.7941 -2.79445 58.0483 -1.81517 18.4987 TIMING: 67200 CPU: 210.98, 0.00314733/step Wall: 210.98, 0.00314733/step, 4.31254 hours remaining, 228.027344 MB of memory in use. ENERGY: 67200 3973.4888 20680.0442 14582.3905 276.1582 -203189.8399 2564.2973 0.0000 0.0000 51860.4888 -109252.9721 298.0429 -161113.4609 -108891.8272 299.1373 53.5163 88.3884 761993.3540 8.1858 8.2554 PRESSURE: 67400 -99.7843 -25.2532 -126.747 -25.2533 76.207 13.7048 -126.748 13.7048 176.67 GPRESSURE: 67400 -38.9169 4.15727 -39.9807 -23.5954 89.2255 -27.2303 6.03805 -97.3211 196.214 PRESSAVG: 67400 -39.9192 27.2356 35.6162 27.2357 92.4073 -17.268 35.6162 -17.2679 6.22408 GPRESSAVG: 67400 -40.1849 25.5517 36.3439 27.1165 92.9737 -16.0201 36.7049 -19.065 5.5223 TIMING: 67400 CPU: 211.608, 0.00313958/step Wall: 211.608, 0.00313958/step, 4.30174 hours remaining, 228.027344 MB of memory in use. ENERGY: 67400 3910.1191 20558.2443 14505.2597 238.5356 -203359.4033 2692.6903 0.0000 0.0000 52233.5339 -109221.0204 300.1868 -161454.5544 -108860.8850 299.5484 51.0308 82.1743 763063.3850 19.5707 19.4370 PRESSURE: 67600 -126.584 12.7287 121.039 12.729 -305.896 -126.7 121.039 -126.7 27.6589 GPRESSURE: 67600 -207.099 -33.9976 67.808 145.533 -192.793 -71.9272 118.976 -139.874 68.2005 PRESSAVG: 67600 0.715141 7.28988 13.4257 7.28986 7.35571 -23.0849 13.4257 -23.0849 9.98602 GPRESSAVG: 67600 -1.09877 7.52472 12.3633 5.91945 7.73056 -24.8021 13.5737 -23.9767 10.7599 TIMING: 67600 CPU: 212.236, 0.00314162/step Wall: 212.236, 0.00314162/step, 4.30438 hours remaining, 228.027344 MB of memory in use. ENERGY: 67600 3932.2936 20496.3025 14475.7546 246.0931 -202623.1398 2198.6500 0.0000 0.0000 52042.2814 -109231.7646 299.0877 -161274.0460 -108865.0849 299.6626 -134.9405 -110.5637 762626.1325 6.0190 5.7972 PRESSURE: 67800 128.016 2.74627 133.22 2.74622 113.759 -48.8428 133.221 -48.8443 254.524 GPRESSURE: 67800 226.863 -8.54448 115.49 -74.2646 90.6037 -67.4459 102.341 -76.2833 242.068 PRESSAVG: 67800 -2.99816 -68.0668 49.6635 -68.0668 12.966 20.8116 49.6636 20.8115 -8.46877 GPRESSAVG: 67800 -2.73122 -67.5381 49.4466 -68.7456 12.3266 21.4405 49.2936 22.0336 -8.22859 TIMING: 67800 CPU: 212.862, 0.00312863/step Wall: 212.862, 0.00312863/step, 4.28639 hours remaining, 228.027344 MB of memory in use. ENERGY: 67800 3985.4123 20511.8989 14525.6678 245.7401 -203680.4986 2948.5351 0.0000 0.0000 52154.0561 -109309.1883 299.7301 -161463.2444 -108946.4465 299.0710 165.4328 186.5114 760745.7142 0.4997 0.4556 PRESSURE: 68000 57.607 -270.955 33.6249 -270.955 36.2483 -33.7976 33.6248 -33.7975 -107.643 GPRESSURE: 68000 10.4819 -343.958 -14.6436 -235.303 130.805 57.3283 178.477 32.2841 -85.2382 PRESSAVG: 68000 12.0715 -21.3399 24.3115 -21.3399 -51.0013 -11.8897 24.3115 -11.8896 9.06159 GPRESSAVG: 68000 10.5518 -20.8652 25.1006 -21.2787 -50.8756 -12.9453 23.1732 -10.8151 9.78154 TIMING: 68000 CPU: 213.488, 0.00313068/step Wall: 213.488, 0.00313068/step, 4.28904 hours remaining, 228.027344 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: 68000 3847.9299 20595.7024 14486.9523 255.9095 -203122.1415 2441.5511 0.0000 0.0000 51975.1048 -109518.9915 298.7016 -161494.0963 -109156.7356 298.7553 -4.5958 18.6829 763151.0440 -9.9561 -10.1807 PRESSURE: 68200 17.5113 -114.035 61.822 -114.036 251.353 34.604 61.8225 34.6033 -107.357 GPRESSURE: 68200 0.762566 -126.292 32.7937 -136.312 226.785 25.108 75.7456 -28.4519 14.2554 PRESSAVG: 68200 12.3493 -45.8006 -41.0291 -45.8007 21.0472 8.75423 -41.0292 8.75418 -17.5628 GPRESSAVG: 68200 13.776 -47.426 -40.1288 -46.5651 19.8681 9.52019 -40.5514 6.16609 -17.9252 TIMING: 68200 CPU: 214.112, 0.00312033/step Wall: 214.112, 0.00312033/step, 4.27468 hours remaining, 228.027344 MB of memory in use. ENERGY: 68200 3983.9311 20458.0391 14494.7116 245.5137 -203545.3420 2747.0293 0.0000 0.0000 52040.0205 -109576.0967 299.0747 -161616.1172 -109220.7242 299.1315 53.8358 80.6011 760071.1497 5.2779 5.2397 LDB: ============= START OF LOAD BALANCING ============== 226.561 LDB: ============== END OF LOAD BALANCING =============== 226.561 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 226.563 LDB: ============= START OF LOAD BALANCING ============== 226.879 LDB: Largest compute 7057 load 0.034689 is 17.8% of average load 0.194524 LDB: Average compute 0.004410 is 2.3% of average load 0.194524 LDB: TIME 226.882 LOAD: AVG 0.194524 MAX 0.21286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.098 MB LDB: TIME 226.882 LOAD: AVG 0.194524 MAX 0.21286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.098 MB LDB: TIME 226.883 LOAD: AVG 0.194524 MAX 0.21286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.098 MB LDB: ============== END OF LOAD BALANCING =============== 226.884 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 226.889 PRESSURE: 68400 -534.61 -87.515 51.1594 -87.5146 293.371 58.196 51.1605 58.1955 43.2931 GPRESSURE: 68400 -439.31 -77.3933 112.531 -89.091 210.936 89.8231 -6.84382 -0.0220068 110.523 PRESSAVG: 68400 35.2387 -34.6329 30.0654 -34.6329 35.5552 -6.76712 30.0654 -6.76706 0.77272 GPRESSAVG: 68400 36.5194 -35.9073 30.925 -33.4134 36.0189 -4.93727 28.5641 -5.86678 -0.615938 TIMING: 68400 CPU: 214.753, 0.00320713/step Wall: 214.753, 0.00320713/step, 4.39342 hours remaining, 228.132812 MB of memory in use. ENERGY: 68400 3949.2456 20669.1203 14424.8530 250.2172 -203365.4677 2590.7133 0.0000 0.0000 51858.1819 -109623.1364 298.0297 -161481.3183 -109264.2966 299.2513 -65.9817 -39.2839 762053.5659 23.8555 23.9741 PRESSURE: 68600 187.371 37.0939 15.3121 37.0933 -226.619 -187.394 15.3118 -187.394 -16.4113 GPRESSURE: 68600 64.5078 78.8661 55.6338 81.8631 -108.21 -140.574 74.8357 -171.507 53.7932 PRESSAVG: 68600 18.4218 7.43648 32.2306 7.43642 -24.1561 28.7964 32.2306 28.7965 6.35739 GPRESSAVG: 68600 17.4903 9.10397 32.3331 8.85221 -23.7103 26.4295 33.3555 29.3427 7.37396 TIMING: 68600 CPU: 215.382, 0.00314122/step Wall: 215.382, 0.00314122/step, 4.30294 hours remaining, 228.132812 MB of memory in use. ENERGY: 68600 3925.9898 20496.3029 14500.7772 262.8774 -203289.1921 2551.1492 0.0000 0.0000 51894.5065 -109657.5890 298.2384 -161552.0956 -109296.2916 298.9175 -18.5529 3.3638 761944.5785 0.2077 0.3847 PRESSURE: 68800 -63.0327 -91.7176 41.5758 -91.7176 -154.189 156.96 41.5752 156.96 -17.2141 GPRESSURE: 68800 -57.8023 -83.6636 -82.5399 -152.446 -105.352 202.645 -5.73362 114.284 12.5937 PRESSAVG: 68800 -14.0239 -3.54177 -62.7552 -3.54176 -17.009 3.731 -62.7551 3.73099 -0.168688 GPRESSAVG: 68800 -15.1599 -2.69554 -65.5092 -3.26652 -16.3283 2.68554 -62.1332 5.49806 0.241734 TIMING: 68800 CPU: 216.014, 0.0031615/step Wall: 216.014, 0.0031615/step, 4.33055 hours remaining, 228.132812 MB of memory in use. ENERGY: 68800 3920.9891 20341.4743 14420.4967 239.3811 -203253.5654 2561.7707 0.0000 0.0000 52066.9733 -109702.4803 299.2296 -161769.4536 -109328.3706 298.5524 -78.1453 -50.1867 762728.7245 -10.4005 -10.4155 PRESSURE: 69000 67.9661 -46.9882 32.4395 -46.9882 97.3182 12.4879 32.4394 12.4868 -214.68 GPRESSURE: 69000 146.772 -3.49474 12.8004 83.9583 136.883 -80.8578 21.7377 39.3887 -241.406 PRESSAVG: 69000 18.464 -44.7405 31.6832 -44.7405 4.25762 -4.59451 31.6832 -4.5945 -0.712298 GPRESSAVG: 69000 18.4094 -46.3225 32.8535 -47.0695 4.78333 -3.31428 31.3945 -6.02066 -0.809826 TIMING: 69000 CPU: 216.645, 0.00315461/step Wall: 216.645, 0.00315461/step, 4.32093 hours remaining, 228.132812 MB of memory in use. ENERGY: 69000 3940.7666 20485.8786 14478.8077 246.5507 -203794.0383 2921.2910 0.0000 0.0000 52231.4559 -109489.2877 300.1749 -161720.7437 -109133.6450 298.8487 -16.4653 14.0831 762523.1416 7.3364 7.4610 PRESSURE: 69200 -391.596 -164.901 228.545 -164.901 94.3386 -10.8577 228.544 -10.8583 -27.6349 GPRESSURE: 69200 -345.489 -219.992 184.408 -82.2106 94.8384 -35.1135 177.216 30.1063 10.1956 PRESSAVG: 69200 26.1872 -8.20477 20.5351 -8.20477 5.41567 31.0756 20.5352 31.0756 1.96081 GPRESSAVG: 69200 27.877 -5.42794 19.4008 -5.52616 4.22832 31.847 20.8857 30.3603 1.4792 TIMING: 69200 CPU: 217.272, 0.00313876/step Wall: 217.272, 0.00313876/step, 4.29905 hours remaining, 228.132812 MB of memory in use. ENERGY: 69200 3977.0349 20563.5564 14413.1816 227.9664 -203192.6959 2642.7581 0.0000 0.0000 52198.2334 -109169.9652 299.9840 -161368.1986 -108808.2663 299.2820 -108.2974 -80.1517 761979.2274 11.1879 11.1948 PRESSURE: 69400 -15.2368 -38.4035 74.2111 -38.4041 237.08 224.069 74.2115 224.068 136.082 GPRESSURE: 69400 56.3265 31.0345 -7.62901 -126.695 235.556 166.893 183.844 231.683 157.533 PRESSAVG: 69400 -7.27659 30.0402 20.0526 30.0401 75.2857 -10.8381 20.0526 -10.8382 16.0855 GPRESSAVG: 69400 -8.47238 29.2793 20.1765 27.6421 76.132 -13.3756 20.8566 -10.2442 16.9906 TIMING: 69400 CPU: 217.901, 0.0031415/step Wall: 217.901, 0.0031415/step, 4.30264 hours remaining, 228.132812 MB of memory in use. ENERGY: 69400 3953.1999 20729.6898 14457.9861 238.2950 -203325.0300 2495.6268 0.0000 0.0000 52137.3345 -109312.8980 299.6340 -161450.2324 -108956.4432 300.0310 119.3086 149.8052 760022.7831 28.0315 28.2167 PRESSURE: 69600 138.607 42.3263 -172.779 42.3264 209.101 -71.1763 -172.778 -71.1753 596.794 GPRESSURE: 69600 158.74 -13.8922 -144.881 -15.7864 239.864 -25.9437 -262.81 -25.5574 645.423 PRESSAVG: 69600 32.3661 13.6467 -61.3333 13.6466 19.64 -20.0971 -61.3332 -20.0971 -28.2585 GPRESSAVG: 69600 33.2492 13.784 -59.2477 13.583 19.0957 -20.5946 -64.0907 -18.8858 -28.3338 TIMING: 69600 CPU: 218.529, 0.00314163/step Wall: 218.529, 0.00314163/step, 4.30264 hours remaining, 228.132812 MB of memory in use. ENERGY: 69600 3925.5989 20529.0767 14527.2871 255.3073 -203291.9956 2789.5866 0.0000 0.0000 52044.9687 -109220.1703 299.1032 -161265.1389 -108855.6576 299.7408 314.8342 348.0091 760591.0751 7.9159 8.0037 PRESSURE: 69800 -200.137 19.096 158.644 19.096 243.094 34.3627 158.644 34.3637 402.773 GPRESSURE: 69800 -163.559 -43.5973 152.923 -159.046 308.009 19.7458 129.39 21.2417 402.092 PRESSAVG: 69800 -20.5153 -19.8915 -25.974 -19.8915 20.2892 -1.4921 -25.974 -1.49211 3.68102 GPRESSAVG: 69800 -20.8533 -20.3781 -29.0717 -20.0937 20.6656 0.644354 -24.3214 -3.89164 3.22295 TIMING: 69800 CPU: 219.159, 0.0031482/step Wall: 219.159, 0.0031482/step, 4.31146 hours remaining, 228.132812 MB of memory in use. ENERGY: 69800 3934.1790 20521.7511 14522.9309 265.5342 -203018.5247 2442.4521 0.0000 0.0000 51964.7717 -109366.9057 298.6423 -161331.6775 -108993.5102 299.8675 148.5768 182.1807 759808.6818 1.1516 1.0117 PRESSURE: 70000 113.459 41.449 -18.9646 41.4484 -152.895 101.198 -18.9652 101.197 296.204 GPRESSURE: 70000 113.017 183.714 -29.0293 -18.4694 -66.4327 88.0236 -15.1022 159.525 284.082 PRESSAVG: 70000 -27.5261 -5.74247 23.0382 -5.74254 69.9407 28.5172 23.0382 28.5173 -6.54289 GPRESSAVG: 70000 -27.3171 -2.72572 23.4008 -6.81985 69.9388 28.2993 24.3995 29.766 -6.65589 TIMING: 70000 CPU: 219.792, 0.00316637/step Wall: 219.792, 0.00316637/step, 4.33616 hours remaining, 228.132812 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: 70000 3998.8173 20499.1291 14631.0042 247.8925 -203333.7703 2542.7253 0.0000 0.0000 52319.7600 -109094.4418 300.6824 -161414.2018 -108733.7526 299.9384 85.5895 110.2221 760238.9345 11.9572 11.9886 PRESSURE: 70200 252.932 -319.775 -138.645 -319.775 15.7655 10.4635 -138.645 10.4631 118.269 GPRESSURE: 70200 230.527 -271.075 -159.935 -312.837 49.5249 87.1088 -39.4486 6.92429 186.469 PRESSAVG: 70200 -65.0666 -4.96505 1.73605 -4.96507 64.8179 -52.579 1.736 -52.5791 1.42052 GPRESSAVG: 70200 -65.5974 -7.02769 2.00394 -2.58976 65.6472 -52.8098 2.20508 -53.8673 0.765837 TIMING: 70200 CPU: 220.423, 0.00315239/step Wall: 220.423, 0.00315239/step, 4.31684 hours remaining, 228.132812 MB of memory in use. ENERGY: 70200 3943.5717 20527.8943 14526.5293 238.3443 -203156.6052 2706.5718 0.0000 0.0000 51962.5685 -109251.1252 298.6296 -161213.6937 -108896.5520 299.9241 128.9887 155.5071 761360.1968 0.3906 0.2719 PRESSURE: 70400 -12.6733 62.477 -21.568 62.4771 29.9192 31.5982 -21.5681 31.5977 -23.9257 GPRESSURE: 70400 76.7843 -8.78506 -107.71 20.062 23.8442 56.8181 -162.799 71.9508 -8.41186 PRESSAVG: 70400 -48.7618 -1.2959 -31.6473 -1.29583 35.9481 -37.2009 -31.6473 -37.201 1.96109 GPRESSAVG: 70400 -47.7885 -2.99053 -30.839 -1.29004 34.6182 -37.1373 -37.2966 -35.4803 2.31382 TIMING: 70400 CPU: 221.053, 0.00315442/step Wall: 221.053, 0.00315442/step, 4.31945 hours remaining, 228.132812 MB of memory in use. ENERGY: 70400 4039.2543 20509.2228 14443.9357 253.2804 -203176.2828 2527.6329 0.0000 0.0000 52301.6664 -109101.2903 300.5784 -161402.9567 -108743.3666 299.9213 -2.2266 30.7389 761157.5373 -3.6175 -3.6188 PRESSURE: 70600 46.853 -33.9835 -18.4981 -33.9832 -153.482 -144.502 -18.4987 -144.502 -242.323 GPRESSURE: 70600 63.7925 3.48106 -112.865 8.11353 -141.332 -128.769 93.3987 -158.471 -177.829 PRESSAVG: 70600 -4.92611 27.2785 -6.53285 27.2785 -49.9095 -33.9757 -6.53282 -33.9756 1.80894 GPRESSAVG: 70600 -6.02737 26.8033 -7.20894 28.886 -48.9942 -34.1656 -4.21403 -32.8767 2.15565 TIMING: 70600 CPU: 221.685, 0.00315618/step Wall: 221.685, 0.00315618/step, 4.32169 hours remaining, 228.132812 MB of memory in use. ENERGY: 70600 4009.6993 20539.8537 14460.5216 233.5079 -202950.7297 2444.0956 0.0000 0.0000 52257.4198 -109005.6318 300.3241 -161263.0516 -108638.6899 299.6187 -116.3173 -85.1228 762269.5730 -17.6755 -17.6220 PRESSURE: 70800 -643.542 170.325 -13.6889 170.325 -750.585 -192.189 -13.6887 -192.189 -41.2085 GPRESSURE: 70800 -580.861 85.7795 32.3742 148.853 -650.712 -165.123 -26.6213 -175.418 -93.7527 PRESSAVG: 70800 -25.5548 -16.6987 -47.4381 -16.6986 60.4938 -22.9659 -47.4381 -22.966 19.2413 GPRESSAVG: 70800 -24.4823 -16.6049 -46.7492 -19.4499 59.8974 -23.6833 -45.5735 -23.344 18.4572 TIMING: 70800 CPU: 222.316, 0.00315586/step Wall: 222.316, 0.00315586/step, 4.32108 hours remaining, 228.132812 MB of memory in use. ENERGY: 70800 4168.2071 20352.1607 14490.2240 256.8268 -203085.3250 2598.7420 0.0000 0.0000 52112.9837 -109106.1807 299.4940 -161219.1644 -108740.7686 299.7903 -478.4452 -441.7751 764419.7095 18.0601 17.9574 PRESSURE: 71000 131.913 -123.339 -85.5944 -123.338 290.591 -33.2632 -85.5937 -33.263 -212.368 GPRESSURE: 71000 59.0982 -125.059 -44.1827 -12.8728 399.46 106.47 -137.138 -219.286 -166.181 PRESSAVG: 71000 0.320549 -39.5075 17.3344 -39.5075 32.4524 -71.5931 17.3344 -71.5931 -14.0845 GPRESSAVG: 71000 0.183088 -39.7916 15.8532 -38.7875 32.8407 -68.6453 17.4435 -73.7074 -14.2443 TIMING: 71000 CPU: 222.941, 0.00312676/step Wall: 222.941, 0.00312676/step, 4.28106 hours remaining, 228.132812 MB of memory in use. ENERGY: 71000 3943.9868 20387.2048 14528.8443 266.4374 -203141.8403 2643.0125 0.0000 0.0000 52043.6640 -109328.6904 299.0957 -161372.3545 -108964.0129 299.2587 70.0453 97.4592 763075.8782 6.2295 6.2598 PRESSURE: 71200 187.949 58.9352 -109.376 58.9343 115.878 -267.659 -109.376 -267.659 183.62 GPRESSURE: 71200 280.722 187.371 -129.047 -24.9797 92.0778 -265.404 -27.0981 -193.68 196.374 PRESSAVG: 71200 1.70084 -12.2394 28.6 -12.2394 34.6766 -34.0571 28.6 -34.0572 -14.1566 GPRESSAVG: 71200 2.51658 -10.0448 28.5002 -14.4839 34.5549 -34.9899 27.6517 -32.4866 -14.7899 TIMING: 71200 CPU: 223.568, 0.00313569/step Wall: 223.568, 0.00313569/step, 4.29311 hours remaining, 228.132812 MB of memory in use. ENERGY: 71200 3934.6389 20342.6488 14547.3711 254.7088 -202787.1479 2522.1797 0.0000 0.0000 52081.7754 -109103.8251 299.3147 -161185.6005 -108741.5078 299.0785 162.4826 189.7248 762823.0841 7.4069 7.4272 PRESSURE: 71400 179.701 44.9067 36.9855 44.9061 263.182 125.205 36.9855 125.206 -308.218 GPRESSURE: 71400 101.635 9.87121 4.36171 141.865 323.576 -39.1444 -140.912 106.444 -218.633 PRESSAVG: 71400 52.6414 -7.76865 -18.1817 -7.76869 -34.7735 -30.3282 -18.1817 -30.3282 3.67062 GPRESSAVG: 71400 51.0233 -7.27678 -18.4545 -7.26449 -34.9663 -31.8658 -17.6536 -30.209 5.15619 TIMING: 71400 CPU: 224.195, 0.00313139/step Wall: 224.195, 0.00313139/step, 4.28705 hours remaining, 228.132812 MB of memory in use. ENERGY: 71400 3923.6307 20395.7614 14496.4973 241.2695 -202717.2235 2617.1905 0.0000 0.0000 51883.5638 -109159.3102 298.1756 -161042.8740 -108798.6716 299.3159 44.8885 68.8597 760779.5506 7.1795 7.0711 PRESSURE: 71600 20.5297 2.08765 244.195 2.08664 102.31 68.6765 244.194 68.6765 101.499 GPRESSURE: 71600 71.3833 102.614 245.663 -82.9803 200.248 46.3906 182.863 209.201 24.8989 PRESSAVG: 71600 38.2772 -12.0133 37.7321 -12.0133 0.552188 -27.1119 37.7321 -27.112 -4.64119 GPRESSAVG: 71600 39.1548 -15.5718 39.1158 -10.858 0.482532 -24.9959 35.4074 -29.5921 -5.18495 TIMING: 71600 CPU: 224.821, 0.00313441/step Wall: 224.821, 0.00313441/step, 4.29101 hours remaining, 228.132812 MB of memory in use. ENERGY: 71600 3923.1476 20456.7106 14532.3335 249.2273 -203570.8074 2915.9682 0.0000 0.0000 52136.0535 -109357.3668 299.6266 -161493.4203 -108994.7896 299.3794 74.7796 98.8436 760695.4382 11.3961 11.4841 PRESSURE: 71800 366.622 45.2712 1.40532 45.2717 292.402 -85.1242 1.40443 -85.1262 166.265 GPRESSURE: 71800 403.864 43.6067 -86.6143 21.7481 296.348 -42.1682 -11.7868 -60.3449 198.013 PRESSAVG: 71800 -34.7906 -48.4085 32.7078 -48.4085 16.2764 -46.8791 32.7079 -46.8791 -4.19449 GPRESSAVG: 71800 -35.0882 -46.8405 33.3074 -46.5815 16.9327 -49.2386 32.905 -45.8288 -4.59459 TIMING: 71800 CPU: 225.448, 0.00313221/step Wall: 225.448, 0.00313221/step, 4.28782 hours remaining, 228.132812 MB of memory in use. ENERGY: 71800 3936.7988 20545.2505 14499.1849 255.8342 -203279.3577 2912.5014 0.0000 0.0000 52003.0948 -109126.6930 298.8625 -161129.7879 -108769.4894 299.8416 275.0965 299.4084 761475.2579 -7.5696 -7.5834 PRESSURE: 72000 -376.26 52.2201 13.4639 52.2205 85.0599 28.7281 13.4632 28.7278 200.59 GPRESSURE: 72000 -306.897 -35.0993 -3.81452 2.74885 105.877 41.2346 4.14742 -57.0813 215.603 PRESSAVG: 72000 -44.0464 -22.5704 -1.71558 -22.5704 54.9479 -33.3137 -1.71563 -33.3137 -6.95982 GPRESSAVG: 72000 -43.452 -23.9154 -3.71421 -22.6274 54.8223 -32.121 -0.602172 -32.3029 -7.25012 TIMING: 72000 CPU: 226.076, 0.00314008/step Wall: 226.076, 0.00314008/step, 4.29842 hours remaining, 228.132812 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: 72000 3927.6897 20388.1655 14499.1898 242.3445 -203049.4083 2536.5862 0.0000 0.0000 52011.9528 -109443.4798 298.9134 -161455.4326 -109093.0445 299.4271 -30.2035 4.8612 761796.2619 1.3139 1.3734 PRESSURE: 72200 -182.745 -196.471 212.166 -196.471 -86.315 -123.488 212.165 -123.489 -439.924 GPRESSURE: 72200 -184.88 -63.6091 226.357 -217.716 25.1959 -215.532 379.652 -116.472 -445.724 PRESSAVG: 72200 -27.5738 -45.3127 24.6303 -45.3126 -3.20826 -24.0671 24.6304 -24.0672 1.41639 GPRESSAVG: 72200 -27.5715 -43.2417 27.5381 -48.3683 -3.13244 -23.4757 24.8051 -26.8059 1.35349 TIMING: 72200 CPU: 226.704, 0.00314199/step Wall: 226.704, 0.00314199/step, 4.30086 hours remaining, 228.132812 MB of memory in use. ENERGY: 72200 3982.6716 20516.5557 14472.2707 249.6459 -203182.6129 2283.1463 0.0000 0.0000 52358.2879 -109320.0349 300.9038 -161678.3228 -108952.9699 299.1209 -236.3278 -201.8026 761514.3604 -9.7885 -9.7835 LDB: ============= START OF LOAD BALANCING ============== 239.157 LDB: ============== END OF LOAD BALANCING =============== 239.157 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 239.159 LDB: ============= START OF LOAD BALANCING ============== 239.475 LDB: Largest compute 7067 load 0.036452 is 18.7% of average load 0.194691 LDB: Average compute 0.004433 is 2.3% of average load 0.194691 LDB: TIME 239.478 LOAD: AVG 0.194691 MAX 0.213168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 227.934 MB LDB: TIME 239.478 LOAD: AVG 0.194691 MAX 0.213168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.934 MB LDB: TIME 239.479 LOAD: AVG 0.194691 MAX 0.213168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.934 MB LDB: ============== END OF LOAD BALANCING =============== 239.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 239.485 PRESSURE: 72400 -162.819 -122.133 -30.5093 -122.133 231.061 131.079 -30.5085 131.08 -206.383 GPRESSURE: 72400 -68.1222 -52.7867 -0.446859 -165.256 247.878 178.233 -52.9235 249.325 -241.913 PRESSAVG: 72400 6.96744 -56.879 23.1239 -56.8791 37.1014 -26.9066 23.1239 -26.9066 -9.84079 GPRESSAVG: 72400 6.42804 -55.845 22.5933 -56.2822 36.577 -27.2591 22.5168 -25.016 -8.80299 TIMING: 72400 CPU: 227.35, 0.00322645/step Wall: 227.35, 0.00322645/step, 4.4163 hours remaining, 227.667969 MB of memory in use. ENERGY: 72400 3943.8604 20507.4003 14460.8711 234.5880 -203147.6543 2411.4404 0.0000 0.0000 52233.9662 -109355.5279 300.1893 -161589.4941 -108990.2455 299.3934 -46.0469 -20.7189 761639.7755 11.4093 11.4007 PRESSURE: 72600 101.696 109.34 -140.237 109.34 38.0616 -231.722 -140.237 -231.722 -395.016 GPRESSURE: 72600 86.5244 51.7885 -103.189 107.848 91.3974 -211.966 -97.7188 -372.467 -328.799 PRESSAVG: 72600 -7.19822 -78.9056 5.92276 -78.9056 50.9392 -31.916 5.92276 -31.9159 4.25071 GPRESSAVG: 72600 -6.57132 -80.2943 4.99202 -78.5401 51.9634 -31.3912 4.96129 -32.318 3.17123 TIMING: 72600 CPU: 227.977, 0.00313452/step Wall: 227.977, 0.00313452/step, 4.29029 hours remaining, 227.871094 MB of memory in use. ENERGY: 72600 4015.2314 20453.6165 14460.9485 259.2278 -203575.6363 3080.7765 0.0000 0.0000 52057.3250 -109248.5106 299.1742 -161305.8356 -108893.1850 299.1141 -85.0860 -50.2924 762266.1950 15.9972 16.1878 PRESSURE: 72800 -347.552 -129.561 -7.92415 -129.561 138.178 -48.8317 -7.92442 -48.8319 -336.345 GPRESSURE: 72800 -258.689 -89.4962 0.31061 -194.456 99.33 45.1165 -110.111 -98.5934 -286.746 PRESSAVG: 72800 18.7033 -61.2209 0.249908 -61.2208 -23.6639 -47.3369 0.24988 -47.3368 -19.007 GPRESSAVG: 72800 19.3491 -62.3431 -0.456163 -61.6264 -24.2742 -47.2153 1.32733 -46.8678 -18.5159 TIMING: 72800 CPU: 228.603, 0.00313405/step Wall: 228.603, 0.00313405/step, 4.28946 hours remaining, 227.871094 MB of memory in use. ENERGY: 72800 3989.6106 20398.2611 14484.3688 250.6449 -203378.9782 2706.5891 0.0000 0.0000 52428.9112 -109120.5926 301.3097 -161549.5038 -108754.6456 299.9949 -181.9065 -148.7014 763180.8061 -7.9892 -7.8137 PRESSURE: 73000 379.025 -70.2911 -81.5887 -70.2894 -106.644 29.0801 -81.5888 29.0796 235.125 GPRESSURE: 73000 397.136 -123.338 -26.5012 -136.741 -91.7699 67.0399 -119.356 -97.6672 273.373 PRESSAVG: 73000 -9.67247 -14.371 -14.6019 -14.371 -0.090002 -17.5839 -14.6019 -17.5839 -22.3451 GPRESSAVG: 73000 -9.26425 -14.0663 -13.9025 -13.347 -0.380206 -17.3562 -16.8121 -16.5155 -21.9122 TIMING: 73000 CPU: 229.231, 0.00313695/step Wall: 229.231, 0.00313695/step, 4.29326 hours remaining, 227.871094 MB of memory in use. ENERGY: 73000 3988.8628 20445.6502 14429.2267 236.5688 -203086.9219 2666.8749 0.0000 0.0000 52162.2772 -109157.4613 299.7773 -161319.7386 -108800.0415 299.1675 169.1686 192.9127 760956.1175 -10.7025 -10.5189 PRESSURE: 73200 211.589 -105.175 -43.9224 -105.176 459.474 110.899 -43.9224 110.898 114.751 GPRESSURE: 73200 215.71 -137.624 -5.64441 -118.557 458.736 49.416 10.6663 126.899 172.709 PRESSAVG: 73200 63.8354 -52.644 48.4206 -52.6441 3.28755 -8.9583 48.4206 -8.95838 22.2696 GPRESSAVG: 73200 62.6685 -51.0738 49.0188 -53.6606 3.95068 -10.7443 49.7064 -9.09159 22.1698 TIMING: 73200 CPU: 229.862, 0.00315788/step Wall: 229.862, 0.00315788/step, 4.32174 hours remaining, 227.871094 MB of memory in use. ENERGY: 73200 3941.2612 20565.1077 14465.4573 258.8578 -203179.0049 2626.2520 0.0000 0.0000 52307.4658 -109014.6031 300.6117 -161322.0689 -108655.8206 300.0874 261.9379 282.3854 760558.2666 29.7975 29.5963 PRESSURE: 73400 -14.1823 -263.842 -237.176 -263.842 -113.638 62.059 -237.176 62.0579 -355.318 GPRESSURE: 73400 -12.1171 -127.325 -230.539 -200.798 -64.0277 32.8141 -127.741 9.1526 -318.048 PRESSAVG: 73400 20.2727 -20.7188 -4.10493 -20.7189 13.5257 -9.79203 -4.10494 -9.79206 -12.5543 GPRESSAVG: 73400 21.6054 -21.5232 -5.04782 -22.7214 10.9443 -10.0403 -2.91299 -8.63193 -11.9957 TIMING: 73400 CPU: 230.494, 0.0031563/step Wall: 230.494, 0.0031563/step, 4.31939 hours remaining, 227.871094 MB of memory in use. ENERGY: 73400 4028.3185 20533.9132 14489.0832 268.5989 -202916.7635 2453.0475 0.0000 0.0000 51949.7387 -109194.0634 298.5559 -161143.8021 -108833.8595 299.9547 -161.0459 -131.3974 761869.8528 7.0813 6.8513 PRESSURE: 73600 -233.963 -286.476 65.3729 -286.475 -243.015 37.4762 65.3741 37.4771 70.1631 GPRESSURE: 73600 -237.171 -223.45 91.5134 -242.681 -260.345 153.811 106.662 -2.76507 193.268 PRESSAVG: 73600 -20.6717 -91.841 27.7748 -91.841 53.5829 1.24961 27.7748 1.24972 9.52261 GPRESSAVG: 73600 -21.6596 -91.357 26.5288 -90.0765 55.3089 2.49053 27.263 0.907467 9.32901 TIMING: 73600 CPU: 231.128, 0.00317319/step Wall: 231.128, 0.00317319/step, 4.34234 hours remaining, 227.871094 MB of memory in use. ENERGY: 73600 3881.3079 20701.7011 14570.6435 245.5067 -203117.1241 2444.4873 0.0000 0.0000 52168.4368 -109105.0408 299.8127 -161273.4776 -108743.4928 299.5496 -135.6050 -101.4159 761927.0822 14.1446 14.3261 PRESSURE: 73800 -453.84 -221.675 28.0719 -221.676 -583.873 -80.6286 28.0723 -80.6285 -662.412 GPRESSURE: 73800 -462.585 -118.526 33.7279 -211.515 -472.946 -58.5167 114.397 -36.9197 -698.78 PRESSAVG: 73800 5.95812 -31.7948 62.8079 -31.7948 3.05522 -15.9909 62.8079 -15.9911 -5.06048 GPRESSAVG: 73800 5.70104 -30.4084 62.9677 -31.697 3.1481 -16.4493 62.8865 -16.2639 -5.14108 TIMING: 73800 CPU: 231.759, 0.00315398/step Wall: 231.759, 0.00315398/step, 4.31587 hours remaining, 227.871094 MB of memory in use. ENERGY: 73800 4006.3470 20512.6310 14496.3175 239.1664 -202642.4602 2031.4920 0.0000 0.0000 52107.7285 -109248.7779 299.4638 -161356.5064 -108876.2983 299.6885 -566.7080 -544.7703 763335.6150 1.3176 1.2360 PRESSURE: 74000 158.78 11.5363 -81.5289 11.5352 -103.83 -2.07515 -81.5291 -2.07544 454.287 GPRESSURE: 74000 210.539 59.0224 -137.274 54.5177 -66.2518 22.2615 38.8107 -96.0037 456.26 PRESSAVG: 74000 0.588459 -46.1782 0.159932 -46.1782 1.87832 -7.02808 0.159926 -7.02809 0.311719 GPRESSAVG: 74000 0.442283 -49.5828 2.36673 -45.753 2.39024 -5.52626 -0.908068 -8.3847 -0.125159 TIMING: 74000 CPU: 232.388, 0.00314336/step Wall: 232.388, 0.00314335/step, 4.30116 hours remaining, 227.871094 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: 74000 3993.0321 20584.3570 14552.1811 261.9590 -203503.2518 2688.3413 0.0000 0.0000 51915.5428 -109507.8385 298.3593 -161423.3813 -109148.4840 299.3528 169.7456 200.1825 760498.4558 0.9262 0.9025 PRESSURE: 74200 124.613 -140.866 287.127 -140.866 1.09204 -28.4567 287.128 -28.4567 453.92 GPRESSURE: 74200 3.88629 -148.873 244.533 -143.109 186.223 16.8547 135.793 -51.4517 471.378 PRESSAVG: 74200 16.0084 -113.583 11.1493 -113.583 -29.7823 32.059 11.1493 32.059 -8.57885 GPRESSAVG: 74200 14.6969 -111.714 9.46395 -113.219 -29.0736 30.8047 10.9633 32.4394 -7.64563 TIMING: 74200 CPU: 233.014, 0.00312981/step Wall: 233.014, 0.00312981/step, 4.28246 hours remaining, 227.871094 MB of memory in use. ENERGY: 74200 3968.8779 20479.4783 14545.6416 251.6520 -203160.4398 2666.1587 0.0000 0.0000 51971.5477 -109277.0835 298.6812 -161248.6313 -108912.6196 299.3847 193.2085 220.4958 762037.3228 -7.4509 -7.3408 PRESSURE: 74400 200.727 107.325 -182.543 107.324 -98.3131 243.171 -182.543 243.171 116.64 GPRESSURE: 74400 313.299 -5.71865 -114.501 129.318 -83.4175 210.125 -180.769 151.29 81.6718 PRESSAVG: 74400 40.311 -45.1963 -39.4202 -45.1962 31.6135 27.7057 -39.4203 27.7057 10.7059 GPRESSAVG: 74400 40.2886 -42.715 -40.1483 -47.7381 33.2322 28.4599 -38.6549 27.9252 9.39267 TIMING: 74400 CPU: 233.641, 0.0031361/step Wall: 233.641, 0.0031361/step, 4.29089 hours remaining, 227.871094 MB of memory in use. ENERGY: 74400 4005.1553 20606.2411 14423.5727 238.2802 -203345.2558 2656.4533 0.0000 0.0000 52052.1006 -109363.4526 299.1441 -161415.5532 -109007.1548 299.1785 73.0178 103.8512 761329.9029 27.5435 27.6378 PRESSURE: 74600 -155.092 -188.777 -83.6975 -188.777 -174.932 41.8438 -83.6974 41.8444 -500.751 GPRESSURE: 74600 -85.4265 -42.0102 -85.3262 -234.133 -157.037 -21.4436 -82.8823 78.6749 -491.719 PRESSAVG: 74600 34.4893 -31.3518 -5.96543 -31.3517 2.52048 -17.7489 -5.96543 -17.749 -28.4186 GPRESSAVG: 74600 35.7498 -33.9591 -4.173 -28.0441 -0.394072 -17.0952 -5.77733 -18.0391 -26.5773 TIMING: 74600 CPU: 234.269, 0.0031407/step Wall: 234.269, 0.0031407/step, 4.297 hours remaining, 227.871094 MB of memory in use. ENERGY: 74600 4019.1700 20623.0266 14418.6663 238.6051 -203637.3564 2623.0538 0.0000 0.0000 52048.3804 -109666.4542 299.1228 -161714.8346 -109316.0531 298.9948 -276.9249 -244.7276 761944.1664 2.8637 2.9261 PRESSURE: 74800 23.4373 -114.872 -10.775 -114.872 -61.8369 -105.889 -10.775 -105.889 79.0184 GPRESSURE: 74800 -30.7853 -62.8625 -101.856 -146.449 23.8727 -76.3483 29.2811 -153.41 133.993 PRESSAVG: 74800 54.7789 -48.3183 -4.05819 -48.3183 -42.5658 2.61519 -4.05811 2.61517 -2.41318 GPRESSAVG: 74800 53.8487 -47.4495 -3.85859 -48.9682 -41.1674 1.78114 -6.59345 2.95361 -3.31833 TIMING: 74800 CPU: 234.897, 0.00314129/step Wall: 234.897, 0.00314129/step, 4.29763 hours remaining, 227.871094 MB of memory in use. ENERGY: 74800 3942.9294 20515.8896 14434.2007 241.8954 -203171.7664 2570.9275 0.0000 0.0000 51752.2437 -109713.6801 297.4209 -161465.9238 -109352.9637 299.0674 13.5396 42.3600 761288.2730 3.2666 3.1210 PRESSURE: 75000 -251.682 -248.702 36.7642 -248.702 2.44315 74.2398 36.7649 74.2405 329.618 GPRESSURE: 75000 -203.196 -226.183 24.7308 -248.328 -30.6769 44.2445 -3.65422 -61.3748 389.275 PRESSAVG: 75000 -25.9324 -84.5792 21.4373 -84.5792 43.5216 -11.5827 21.4373 -11.5826 21.0099 GPRESSAVG: 75000 -26.129 -83.427 21.9749 -85.7995 42.8902 -10.8746 23.3614 -12.4204 22.2279 TIMING: 75000 CPU: 235.525, 0.00314131/step Wall: 235.525, 0.00314131/step, 4.29748 hours remaining, 227.871094 MB of memory in use. ENERGY: 75000 4089.8528 20452.2802 14422.4759 229.6104 -203193.8972 2461.1592 0.0000 0.0000 52067.2398 -109471.2789 299.2311 -161538.5187 -109103.8464 298.5719 26.7930 51.8009 763593.8952 12.8664 12.9964 PRESSURE: 75200 -44.4931 -15.1996 6.58031 -15.199 -61.3437 86.1377 6.58019 86.1389 -240.982 GPRESSURE: 75200 71.8492 -34.5803 12.0769 -31.9871 -74.4079 126.615 -40.7014 51.3457 -257.607 PRESSAVG: 75200 -17.5268 -69.3086 7.2923 -69.3086 28.9829 20.2513 7.29229 20.2513 0.805043 GPRESSAVG: 75200 -17.2936 -69.5222 6.48347 -69.6075 30.2429 20.0389 6.40797 19.0292 -0.971355 TIMING: 75200 CPU: 236.156, 0.00315441/step Wall: 236.156, 0.00315441/step, 4.31523 hours remaining, 227.871094 MB of memory in use. ENERGY: 75200 4023.5326 20482.2433 14454.2974 261.6907 -203362.4106 2527.9996 0.0000 0.0000 52103.8801 -109508.7669 299.4417 -161612.6470 -109146.7143 299.6130 -115.6064 -86.7220 761309.7429 4.0871 3.9927 PRESSURE: 75400 37.4544 -169.981 4.66431 -169.981 -63.7264 178.641 4.66465 178.642 456.986 GPRESSURE: 75400 92.3158 -244.785 -4.61816 -267.265 -81.7215 258.615 40.1847 208.369 500.488 PRESSAVG: 75400 9.14641 -50.5859 -46.7018 -50.5859 3.41919 -13.8993 -46.7018 -13.8993 -18.1521 GPRESSAVG: 75400 10.4587 -50.2493 -47.4073 -50.2305 1.79857 -14.6325 -45.8858 -10.0354 -17.7908 TIMING: 75400 CPU: 236.786, 0.00314644/step Wall: 236.786, 0.00314644/step, 4.30416 hours remaining, 227.871094 MB of memory in use. ENERGY: 75400 3961.5037 20536.1088 14473.0026 256.0777 -203527.1725 2791.6890 0.0000 0.0000 51996.4309 -109512.3598 298.8242 -161508.7907 -109151.7809 299.1225 143.5714 170.3607 760439.1630 -1.8622 -1.8445 PRESSURE: 75600 119.098 -0.769339 54.8395 -0.768579 -54.3776 10.8166 54.8392 10.8159 150.685 GPRESSURE: 75600 30.2949 41.7391 33.0224 -85.2051 63.4005 40.1208 95.17 -85.1317 192.37 PRESSAVG: 75600 1.8459 -83.1163 -10.9189 -83.1163 31.0445 -29.206 -10.9189 -29.206 9.32594 GPRESSAVG: 75600 1.17309 -85.4637 -9.04498 -84.6281 32.0056 -27.657 -12.4132 -31.8007 9.23599 TIMING: 75600 CPU: 237.413, 0.00313777/step Wall: 237.413, 0.00313777/step, 4.29212 hours remaining, 227.871094 MB of memory in use. ENERGY: 75600 4010.9869 20793.7110 14546.9418 250.3215 -203847.0062 2850.8946 0.0000 0.0000 52177.8015 -109216.3489 299.8665 -161394.1504 -108868.3237 300.1725 71.8019 95.3553 761582.0702 14.0721 14.1382 PRESSURE: 75800 -90.1345 -128.212 88.2842 -128.211 -79.7627 3.06337 88.2842 3.06268 -50.2492 GPRESSURE: 75800 49.7039 -87.1108 75.443 -69.0347 -133.037 55.2732 135.802 114.422 -36.9449 PRESSAVG: 75800 36.8708 -29.398 43.1761 -29.398 -69.5031 -49.0917 43.1761 -49.0916 1.40035 GPRESSAVG: 75800 37.1664 -25.8784 41.2212 -28.6882 -70.9181 -51.7562 44.6158 -48.5296 2.56001 TIMING: 75800 CPU: 238.043, 0.00314665/step Wall: 238.043, 0.00314665/step, 4.3041 hours remaining, 227.871094 MB of memory in use. ENERGY: 75800 4016.8807 20603.8835 14506.3147 251.7616 -203684.4816 2698.7596 0.0000 0.0000 52141.4317 -109465.4500 299.6575 -161606.8817 -109100.1095 299.8092 -73.3821 -40.0926 763396.0767 -10.4107 -10.3972 PRESSURE: 76000 -57.4318 55.9279 78.5263 55.9278 37.0297 -83.2635 78.5258 -83.2636 261.045 GPRESSURE: 76000 -58.7411 51.9843 31.8313 46.264 45.4889 -131.017 28.0763 -85.0642 341.405 PRESSAVG: 76000 41.9031 -57.4204 0.0153228 -57.4204 -62.5457 23.9457 0.0153265 23.9457 -6.77212 GPRESSAVG: 76000 41.598 -58.5312 1.0104 -56.6458 -61.2042 24.9016 0.214859 25.3469 -7.55475 TIMING: 76000 CPU: 238.67, 0.00313923/step Wall: 238.67, 0.00313923/step, 4.29377 hours remaining, 227.871094 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: 76000 3958.1806 20509.6120 14465.5410 221.1054 -203278.4410 2539.3513 0.0000 0.0000 52264.0815 -109320.5691 300.3624 -161584.6506 -108954.7980 299.0458 80.2142 109.3843 764655.9089 -9.1382 -9.0537 PRESSURE: 76200 44.7759 -127.729 55.4831 -127.729 77.9301 53.8625 55.4836 53.862 -249.543 GPRESSURE: 76200 47.8379 -74.7926 114.198 -96.9982 61.9338 149.162 74.8526 8.97492 -165.996 PRESSAVG: 76200 -4.5703 -65.6524 34.2084 -65.6524 -38.4129 19.7946 34.2084 19.7946 14.3237 GPRESSAVG: 76200 -3.55991 -66.6217 33.2188 -64.7179 -38.7178 20.1937 32.4907 17.0142 13.6877 TIMING: 76200 CPU: 239.3, 0.00314841/step Wall: 239.3, 0.00314841/step, 4.30614 hours remaining, 227.871094 MB of memory in use. ENERGY: 76200 3981.2886 20397.7710 14544.0707 253.0787 -202902.3066 2442.1027 0.0000 0.0000 51985.0433 -109298.9515 298.7588 -161283.9948 -108936.8571 298.7563 -42.2789 -18.7413 763254.8560 -9.5532 -9.5300 LDB: ============= START OF LOAD BALANCING ============== 251.754 LDB: ============== END OF LOAD BALANCING =============== 251.754 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 251.755 LDB: ============= START OF LOAD BALANCING ============== 252.071 LDB: Largest compute 7076 load 0.035538 is 18.3% of average load 0.194575 LDB: Average compute 0.004426 is 2.3% of average load 0.194575 LDB: TIME 252.074 LOAD: AVG 0.194575 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.184 MB LDB: TIME 252.074 LOAD: AVG 0.194575 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.184 MB LDB: TIME 252.075 LOAD: AVG 0.194575 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.184 MB LDB: ============== END OF LOAD BALANCING =============== 252.076 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 252.081 PRESSURE: 76400 165.636 -261.536 105.696 -261.537 243.989 39.7007 105.695 39.7009 23.751 GPRESSURE: 76400 239.387 -234.01 81.5814 -364.399 314.815 3.27655 210.216 39.6682 -33.6302 PRESSAVG: 76400 -8.56985 -61.2882 9.17549 -61.2882 28.9828 5.51454 9.17548 5.51455 16.6868 GPRESSAVG: 76400 -9.12618 -60.4476 9.71866 -63.183 29.6495 5.03455 11.535 6.94253 16.4947 TIMING: 76400 CPU: 239.945, 0.00322672/step Wall: 239.945, 0.00322672/step, 4.41307 hours remaining, 227.363281 MB of memory in use. ENERGY: 76400 3936.3568 20499.1291 14597.3025 245.7843 -203253.3033 2527.1962 0.0000 0.0000 52069.4971 -109378.0373 299.2441 -161447.5343 -109015.4947 299.1490 144.4588 173.5238 762427.7588 12.3666 12.3393 PRESSURE: 76600 249.27 1.35962 215.09 1.3595 -91.2796 -53.4986 215.089 -53.4988 143.199 GPRESSURE: 76600 307.585 -23.1147 89.1383 30.7108 -92.0043 -71.5773 171.117 -146.115 180.575 PRESSAVG: 76600 37.4521 -76.0116 19.2829 -76.0116 -38.6188 45.85 19.2829 45.85 -29.2116 GPRESSAVG: 76600 37.7108 -76.0631 18.757 -76.1609 -39.7203 46.3225 18.653 44.658 -28.5067 TIMING: 76600 CPU: 240.573, 0.00313934/step Wall: 240.573, 0.00313934/step, 4.29339 hours remaining, 227.363281 MB of memory in use. ENERGY: 76600 3926.8288 20474.0579 14536.1055 257.9091 -203001.3812 2404.2132 0.0000 0.0000 52142.4362 -109259.8305 299.6633 -161402.2667 -108898.7503 299.1942 100.3964 132.0518 761060.6423 -10.1261 -10.1721 PRESSURE: 76800 -211.493 -307.691 -5.7521 -307.692 -311.61 91.5773 -5.75275 91.5769 341.668 GPRESSURE: 76800 -133.082 -183.444 -64.3634 -139.615 -246.657 20.7878 -41.4032 97.2555 271.664 PRESSAVG: 76800 37.632 -14.0822 -33.6607 -14.0822 -24.6645 10.8498 -33.6607 10.8498 25.2241 GPRESSAVG: 76800 37.7789 -14.5013 -32.7684 -11.4333 -24.153 9.52225 -35.239 11.5409 24.9794 TIMING: 76800 CPU: 241.202, 0.00314522/step Wall: 241.202, 0.00314522/step, 4.30126 hours remaining, 227.363281 MB of memory in use. ENERGY: 76800 3928.6268 20674.1014 14489.2545 266.7525 -202878.0241 2351.7276 0.0000 0.0000 51991.2181 -109176.3431 298.7942 -161167.5613 -108811.8059 299.9186 -60.4783 -36.0251 762502.9224 12.7305 12.8685 PRESSURE: 77000 -136.775 -3.03927 -144.926 -3.03936 65.6898 -415.641 -144.926 -415.641 252.352 GPRESSURE: 77000 -24.0223 -9.84931 -113.885 -47.449 116.176 -430.321 -157.663 -380.756 192.562 PRESSAVG: 77000 34.2567 -18.979 -2.33439 -18.979 1.64413 -7.37687 -2.33437 -7.37685 14.3253 GPRESSAVG: 77000 33.6442 -19.8224 -2.49102 -19.6869 2.63523 -6.03123 -1.59902 -6.66959 13.9704 TIMING: 77000 CPU: 241.833, 0.00315278/step Wall: 241.833, 0.00315278/step, 4.31142 hours remaining, 227.363281 MB of memory in use. ENERGY: 77000 3935.5878 20559.0985 14523.2876 226.5586 -203405.5119 2774.0161 0.0000 0.0000 52139.9508 -109247.0125 299.6490 -161386.9633 -108876.5435 299.3317 60.4221 94.9053 761647.2322 16.7420 16.7499 PRESSURE: 77200 241.828 -91.3852 134.346 -91.3852 289.019 37.7741 134.346 37.774 -31.253 GPRESSURE: 77200 259.104 -51.6711 231.963 -129.671 364.518 92.4958 143.85 -0.290423 -34.6534 PRESSAVG: 77200 33.2076 -90.6367 -0.188632 -90.6367 -47.6306 -8.7073 -0.188667 -8.70728 15.1642 GPRESSAVG: 77200 33.0426 -89.216 0.00241724 -90.0271 -48.1552 -8.65912 2.66035 -9.49476 15.0187 TIMING: 77200 CPU: 242.459, 0.00313219/step Wall: 242.459, 0.00313219/step, 4.28309 hours remaining, 227.363281 MB of memory in use. ENERGY: 77200 3970.9426 20596.0643 14554.0767 260.1213 -203990.1508 3019.2514 0.0000 0.0000 51929.6003 -109660.0943 298.4401 -161589.6945 -109309.2149 299.4344 166.5313 196.3229 759462.7141 0.2471 -0.0313 PRESSURE: 77400 129.822 -63.1254 56.1571 -63.1246 -359.954 -237.515 56.158 -237.513 -62.2574 GPRESSURE: 77400 137.611 -52.3523 118.612 -62.221 -246.984 -274.688 -138.726 -141.613 -105.643 PRESSAVG: 77400 17.475 -99.9728 26.4914 -99.9729 -51.7716 1.12039 26.4914 1.12034 5.59396 GPRESSAVG: 77400 15.7671 -98.9055 27.788 -99.0944 -50.89 0.913459 24.114 0.940037 6.36431 TIMING: 77400 CPU: 243.085, 0.00312627/step Wall: 243.085, 0.00312627/step, 4.27483 hours remaining, 227.363281 MB of memory in use. ENERGY: 77400 3927.9635 20440.7533 14600.7833 258.4149 -203290.5098 2441.4400 0.0000 0.0000 52102.1136 -109519.0410 299.4316 -161621.1546 -109147.5131 298.6920 -97.4632 -71.6719 761086.1518 -9.5676 -9.5862 PRESSURE: 77600 -169.867 -123.592 36.6083 -123.592 259.736 45.2931 36.6079 45.2942 60.739 GPRESSURE: 77600 -50.9427 -236.867 33.1705 -165.416 217.577 19.9231 17.4054 -2.7232 70.8989 PRESSAVG: 77600 37.5136 -78.8126 3.20007 -78.8125 1.26853 -8.80106 3.20001 -8.80108 7.99477 GPRESSAVG: 77600 39.4336 -80.9057 4.29186 -78.0601 -0.0439324 -10.5089 2.46485 -8.28168 7.33354 TIMING: 77600 CPU: 243.713, 0.00313978/step Wall: 243.713, 0.00313978/step, 4.29312 hours remaining, 227.367188 MB of memory in use. ENERGY: 77600 4051.2000 20645.5175 14561.9731 262.0813 -203728.1640 2769.7733 0.0000 0.0000 51843.4671 -109594.1517 297.9451 -161437.6188 -109245.1393 299.3304 50.2028 79.1778 760047.1915 15.5923 15.5744 PRESSURE: 77800 -238.572 -169.541 -1.41016 -169.541 260.33 -18.8244 -1.41021 -18.8248 -90.6907 GPRESSURE: 77800 -223.224 -165.627 32.401 -245.008 239.278 20.4098 -53.9542 92.5301 -6.78338 PRESSAVG: 77800 20.4764 -50.6515 -54.0319 -50.6515 12.9516 24.776 -54.0318 24.776 -14.9243 GPRESSAVG: 77800 20.3441 -51.5821 -56.0017 -51.5792 13.5288 26.6343 -54.0465 23.9191 -15.0927 TIMING: 77800 CPU: 244.344, 0.00315611/step Wall: 244.344, 0.00315611/step, 4.31528 hours remaining, 227.367188 MB of memory in use. ENERGY: 77800 4045.3494 20624.1108 14565.7507 271.3294 -203676.9192 2609.2153 0.0000 0.0000 51814.4359 -109746.7278 297.7783 -161561.1636 -109386.5671 298.4256 -22.9775 3.0901 760142.6965 6.1679 6.2601 PRESSURE: 78000 20.0453 74.5322 -160.333 74.5329 -71.1174 -175.145 -160.332 -175.146 -170.947 GPRESSURE: 78000 76.2661 155.445 -214.778 23.7608 -70.4991 -122.929 -281.569 -84.3485 -154.79 PRESSAVG: 78000 -12.6334 6.25064 -34.9073 6.25065 -10.7128 -51.5995 -34.9072 -51.5995 15.1821 GPRESSAVG: 78000 -12.3527 9.74859 -34.8421 4.07684 -11.0345 -51.3918 -35.4384 -51.7394 15.2976 TIMING: 78000 CPU: 244.974, 0.00314949/step Wall: 244.974, 0.00314949/step, 4.30606 hours remaining, 227.367188 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: 78000 4103.0346 20490.3857 14579.1601 258.7957 -203458.0794 2579.7812 0.0000 0.0000 51733.5229 -109713.3992 297.3133 -161446.9221 -109356.2958 298.6103 -74.0063 -49.6743 761010.0608 -2.7214 -2.6965 PRESSURE: 78200 -442.472 -124.094 118.507 -124.093 -136.087 -12.0644 118.507 -12.0636 -236.428 GPRESSURE: 78200 -359.538 -115.299 103.655 -60.4527 -133.719 -25.3553 158.259 -26.8635 -228.61 PRESSAVG: 78200 18.0992 39.0997 -13.1096 39.0997 -39.8089 -4.70369 -13.1097 -4.70375 17.5503 GPRESSAVG: 78200 18.6631 39.2793 -13.6666 40.7657 -39.7222 -8.21761 -13.3313 -2.61618 17.0047 TIMING: 78200 CPU: 245.599, 0.00312517/step Wall: 245.599, 0.00312517/step, 4.27262 hours remaining, 227.652344 MB of memory in use. ENERGY: 78200 4027.1204 20430.1322 14514.0177 252.1567 -203747.6076 2753.8679 0.0000 0.0000 51935.1973 -109835.1154 298.4723 -161770.3128 -109472.7343 297.9031 -271.6625 -240.6223 761268.4076 -1.3865 -1.3515 PRESSURE: 78400 -186.182 130.151 -120.191 130.152 -399.823 90.1424 -120.192 90.141 -203.946 GPRESSURE: 78400 -211.605 88.3283 -90.1093 152.445 -315.698 31.5306 -84.8753 37.9763 -177.537 PRESSAVG: 78400 -13.0607 -4.29686 31.0912 -4.29684 -19.0263 -60.9622 31.0913 -60.9622 -18.013 GPRESSAVG: 78400 -12.799 -4.64275 31.2162 -4.8556 -18.7191 -59.8088 31.7437 -61.0966 -17.5784 TIMING: 78400 CPU: 246.227, 0.00314179/step Wall: 246.227, 0.00314179/step, 4.29518 hours remaining, 227.664062 MB of memory in use. ENERGY: 78400 3972.1745 20473.3763 14495.2490 249.4152 -203514.9777 2445.5908 0.0000 0.0000 51716.0352 -110163.1367 297.2128 -161879.1720 -109793.9644 297.6756 -263.3170 -234.9466 763010.7566 -16.7000 -16.3655 PRESSURE: 78600 -84.1603 125.88 8.20521 125.88 -507.634 199.678 8.20475 199.677 27.2586 GPRESSURE: 78600 -12.4494 13.6407 54.5931 78.208 -401.705 221.036 -28.3442 256.081 -55.2693 PRESSAVG: 78600 -28.2553 -28.6158 7.22678 -28.6157 -18.5833 2.30144 7.22678 2.30143 11.9553 GPRESSAVG: 78600 -29.0764 -29.6058 7.80517 -28.7564 -18.3882 3.87867 7.22907 0.127314 12.3358 TIMING: 78600 CPU: 246.854, 0.00313715/step Wall: 246.854, 0.00313715/step, 4.28865 hours remaining, 227.718750 MB of memory in use. ENERGY: 78600 4052.5630 20570.4585 14483.0921 251.9312 -203898.9309 2741.4194 0.0000 0.0000 51728.8347 -110070.6320 297.2863 -161799.4667 -109717.6487 297.4761 -188.1785 -156.4745 760596.9337 -11.6278 -11.7096 PRESSURE: 78800 64.5768 -98.1225 33.7445 -98.1222 370.409 -54.1337 33.7446 -54.1339 -222.812 GPRESSURE: 78800 146.179 -151.571 -4.2102 -66.6856 330.641 -47.8512 -57.2397 -10.7577 -161.31 PRESSAVG: 78800 23.6926 -57.1558 -25.0462 -57.1558 -19.2676 -32.2391 -25.0462 -32.2392 -2.41428 GPRESSAVG: 78800 23.448 -56.5071 -25.5627 -56.8171 -18.6335 -31.9721 -26.1643 -30.4853 -3.00078 TIMING: 78800 CPU: 247.478, 0.00311872/step Wall: 247.478, 0.00311872/step, 4.26329 hours remaining, 227.718750 MB of memory in use. ENERGY: 78800 4100.6150 20430.6290 14549.8699 250.7883 -203978.0949 2962.4821 0.0000 0.0000 51871.8681 -109811.8424 298.1083 -161683.7105 -109446.7432 297.7111 70.7249 105.1700 760532.0930 0.6702 0.6046 PRESSURE: 79000 -228.288 -140.257 -72.3291 -140.256 -218.293 -43.703 -72.3288 -43.7038 -94.9375 GPRESSURE: 79000 -163.959 -106.1 -107.219 -132.194 -144.169 -79.8228 7.69641 -31.0028 -147.158 PRESSAVG: 79000 36.486 -48.4764 -73.9595 -48.4764 31.9054 5.70787 -73.9595 5.70787 -6.58783 GPRESSAVG: 79000 37.3583 -48.1451 -73.1824 -48.8742 31.97 5.48639 -72.9576 5.28626 -7.79238 TIMING: 79000 CPU: 248.106, 0.00313708/step Wall: 248.106, 0.00313708/step, 4.28821 hours remaining, 227.718750 MB of memory in use. ENERGY: 79000 3892.6601 20561.9477 14527.1338 244.5258 -203160.1214 2196.7285 0.0000 0.0000 52104.0060 -109633.1195 299.4424 -161737.1255 -109272.8691 298.3214 -180.5062 -151.7620 761547.7000 20.6012 20.5120 PRESSURE: 79200 238.187 54.1797 23.1134 54.181 335.572 -44.2969 23.1134 -44.2971 85.6259 GPRESSURE: 79200 254.067 98.9962 22.1317 12.1476 364.765 -31.6234 72.8375 -132.363 130.228 PRESSAVG: 79200 0.477792 -12.8221 16.5372 -12.8221 27.605 3.75776 16.5372 3.75773 -46.8524 GPRESSAVG: 79200 -0.587171 -13.1319 16.272 -12.0251 26.6566 3.93729 17.1178 1.46523 -44.9767 TIMING: 79200 CPU: 248.732, 0.00313328/step Wall: 248.732, 0.00313328/step, 4.28285 hours remaining, 227.718750 MB of memory in use. ENERGY: 79200 3954.4232 20611.4464 14578.8927 239.8000 -204007.8887 2903.5013 0.0000 0.0000 52158.4720 -109561.3531 299.7555 -161719.8251 -109196.1394 298.9891 219.7949 249.6868 760451.1944 -6.2565 -6.3024 PRESSURE: 79400 156.978 -61.2524 103.672 -61.2518 236.294 -5.83531 103.672 -5.83529 -90.6405 GPRESSURE: 79400 211.981 -90.1322 161.334 -36.793 293.314 -54.4426 127.999 -39.8112 -130.067 PRESSAVG: 79400 -22.1491 -3.34718 27.2982 -3.34722 36.3568 -44.7194 27.2981 -44.7194 13.1223 GPRESSAVG: 79400 -20.6073 -4.19408 26.0122 -0.646163 36.6942 -46.8458 26.5909 -41.57 11.4395 TIMING: 79400 CPU: 249.359, 0.00313446/step Wall: 249.359, 0.00313447/step, 4.28429 hours remaining, 227.738281 MB of memory in use. ENERGY: 79400 3904.9723 20649.2649 14525.6506 243.9787 -203440.6293 2574.6901 0.0000 0.0000 51935.5305 -109606.5422 298.4742 -161542.0728 -109247.6859 298.9670 100.8772 125.0757 760571.1661 9.1100 9.1755 PRESSURE: 79600 -335.651 13.2316 -97.6642 13.2316 -94.8448 55.8005 -97.6637 55.802 206.173 GPRESSURE: 79600 -366.676 -26.6585 -39.6877 32.1576 -15.0332 67.9529 -127.302 76.0783 245.11 PRESSAVG: 79600 -0.458762 -17.3855 19.6614 -17.3854 54.6165 -52.0398 19.6614 -52.0397 -3.97827 GPRESSAVG: 79600 -1.87865 -17.3796 20.6223 -20.9582 54.1788 -49.7989 19.6489 -53.2893 -2.02548 TIMING: 79600 CPU: 249.985, 0.00312734/step Wall: 249.985, 0.00312734/step, 4.27438 hours remaining, 227.738281 MB of memory in use. ENERGY: 79600 4067.0788 20679.7839 14581.1391 258.9772 -203612.7728 2557.9913 0.0000 0.0000 51850.6222 -109617.1804 297.9862 -161467.8025 -109262.2252 298.7248 -74.7742 -45.5330 761795.7149 16.7265 16.7582 PRESSURE: 79800 -283.393 -111.737 26.6005 -111.737 -234.162 -101.724 26.6015 -101.724 -390.033 GPRESSURE: 79800 -240.173 -119.634 29.3755 -128.157 -228.09 -66.0726 78.5365 -30.9771 -361.523 PRESSAVG: 79800 2.91561 -22.8852 10.5616 -22.8852 22.0829 -16.061 10.5615 -16.0609 45.9947 GPRESSAVG: 79800 2.80267 -21.3976 10.8181 -22.1933 23.1832 -15.9517 9.67989 -16.7373 45.3504 TIMING: 79800 CPU: 250.614, 0.00314841/step Wall: 250.614, 0.00314841/step, 4.30301 hours remaining, 227.738281 MB of memory in use. ENERGY: 79800 3948.1717 20653.5813 14608.9161 251.0796 -203208.0664 2245.2241 0.0000 0.0000 51760.6215 -109740.4723 297.4690 -161501.0938 -109380.3966 298.3486 -302.5292 -276.5954 760895.8658 23.6644 23.7788 PRESSURE: 80000 -31.7812 -199.394 -24.2517 -199.394 275.696 -168.453 -24.2516 -168.453 110.702 GPRESSURE: 80000 51.0962 -163.02 16.1597 -168.393 319.711 -194.438 42.8735 -104.077 79.8802 PRESSAVG: 80000 -24.8686 -22.2603 -1.2542 -22.2603 40.0076 -15.7011 -1.25421 -15.7012 3.0592 GPRESSAVG: 80000 -25.1347 -20.8061 -4.29341 -23.512 40.0249 -18.4447 0.923458 -16.0706 3.14161 TIMING: 80000 CPU: 251.242, 0.00314079/step Wall: 251.242, 0.00314079/step, 4.29242 hours remaining, 227.738281 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: 80000 3914.7351 20458.0831 14474.9537 234.0809 -203506.4574 2599.6458 0.0000 0.0000 52168.8232 -109656.1355 299.8149 -161824.9587 -109288.0360 298.4563 118.2057 150.2290 761430.6682 6.0661 6.0106 PRESSURE: 80200 100.524 142.698 90.3885 142.699 -526.52 -157.553 90.3881 -157.553 -200.953 GPRESSURE: 80200 83.479 103.868 83.6668 68.5897 -500.335 -101.728 -39.5183 59.1732 -131.302 PRESSAVG: 80200 -41.2421 -17.2525 -12.5435 -17.2525 4.24602 -38.3985 -12.5435 -38.3985 18.5208 GPRESSAVG: 80200 -38.8953 -20.6988 -8.78194 -15.8427 2.82477 -35.4627 -15.1758 -37.4914 18.1533 TIMING: 80200 CPU: 251.867, 0.00312447/step Wall: 251.867, 0.00312447/step, 4.26993 hours remaining, 227.738281 MB of memory in use. ENERGY: 80200 3981.3935 20635.3006 14512.2303 241.6047 -203763.1891 2570.8633 0.0000 0.0000 52360.1424 -109461.6543 300.9145 -161821.7967 -109104.8187 298.7756 -208.9831 -182.7191 760939.5351 -6.1584 -5.9724 LDB: ============= START OF LOAD BALANCING ============== 264.317 LDB: ============== END OF LOAD BALANCING =============== 264.317 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.319 LDB: ============= START OF LOAD BALANCING ============== 264.634 LDB: Largest compute 7057 load 0.035323 is 18.2% of average load 0.194601 LDB: Average compute 0.004413 is 2.3% of average load 0.194601 LDB: TIME 264.637 LOAD: AVG 0.194601 MAX 0.212857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 227.566 MB LDB: TIME 264.637 LOAD: AVG 0.194601 MAX 0.212857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.566 MB LDB: TIME 264.637 LOAD: AVG 0.194601 MAX 0.212857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 227.566 MB LDB: ============== END OF LOAD BALANCING =============== 264.639 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.644 PRESSURE: 80400 -32.5621 -191.305 103.008 -191.305 81.2288 -222.383 103.01 -222.383 90.4435 GPRESSURE: 80400 8.28689 -26.263 105.72 -161.582 170.584 -207.445 91.1274 -171.822 43.3097 PRESSAVG: 80400 -6.73098 -32.658 41.7257 -32.6579 21.8725 -30.2997 41.7257 -30.2998 9.98911 GPRESSAVG: 80400 -8.19075 -32.7277 38.5875 -31.2913 23.6309 -31.7823 44.375 -28.4945 9.76572 TIMING: 80400 CPU: 252.509, 0.00320626/step Wall: 252.509, 0.00320626/step, 4.38153 hours remaining, 227.402344 MB of memory in use. ENERGY: 80400 4025.1746 20591.9485 14531.6577 268.2339 -203715.4311 2812.0141 0.0000 0.0000 52112.4850 -109373.9173 299.4912 -161486.4023 -109015.5867 299.0657 46.3700 74.0601 763363.1341 8.3769 8.4019 PRESSURE: 80600 167.21 -120.649 -217.303 -120.649 -279.328 36.324 -217.303 36.325 -224.201 GPRESSURE: 80600 122.766 -103.654 -161.141 -152.99 -166.139 23.6934 -273.609 90.384 -191.682 PRESSAVG: 80600 38.2121 -16.5894 20.3189 -16.5895 -65.4037 5.60956 20.319 5.60966 4.90089 GPRESSAVG: 80600 38.3114 -14.1246 22.282 -19.384 -65.8207 5.26639 19.2131 3.67008 5.37149 TIMING: 80600 CPU: 253.142, 0.00316491/step Wall: 253.142, 0.00316491/step, 4.32484 hours remaining, 227.402344 MB of memory in use. ENERGY: 80600 3929.8638 20606.8266 14518.7920 259.7920 -203309.2230 2470.9470 0.0000 0.0000 52183.7542 -109339.2474 299.9008 -161523.0016 -108971.0451 298.9493 -112.1059 -78.3517 762647.0673 -7.4302 -7.3793 PRESSURE: 80800 237.99 -58.3448 -152.644 -58.3449 9.05435 64.2284 -152.643 64.2284 199.847 GPRESSURE: 80800 202.723 -112.992 -203.225 57.0167 167.948 104.984 -130.643 112.958 181.166 PRESSAVG: 80800 56.6501 -68.9566 26.2055 -68.9566 -60.4907 -18.4902 26.2055 -18.4902 20.8168 GPRESSAVG: 80800 56.8978 -69.6411 25.51 -65.7303 -60.905 -18.3948 28.3343 -18.6918 20.6199 TIMING: 80800 CPU: 253.77, 0.00314168/step Wall: 253.77, 0.00314168/step, 4.29293 hours remaining, 227.402344 MB of memory in use. ENERGY: 80800 3981.9356 20447.7575 14519.8183 265.4701 -203148.5024 2651.3185 0.0000 0.0000 52065.7516 -109216.4509 299.2226 -161282.2025 -108865.0803 299.7533 148.9640 183.9458 762711.9136 5.6587 5.5376 PRESSURE: 81000 -353.858 -83.1465 -23.9342 -83.1475 92.0015 -83.8164 -23.9342 -83.8165 267.714 GPRESSURE: 81000 -268.666 -100.47 -32.8005 -87.9154 132.802 -106.684 1.42823 -100.975 207.593 PRESSAVG: 81000 16.9184 -13.597 -19.7057 -13.5971 -26.2389 -5.60475 -19.7057 -5.6047 -3.92253 GPRESSAVG: 81000 15.7217 -12.9908 -19.1173 -15.7892 -26.0961 -5.19548 -20.5931 -5.45943 -2.96914 TIMING: 81000 CPU: 254.399, 0.00314701/step Wall: 254.399, 0.00314701/step, 4.30004 hours remaining, 227.402344 MB of memory in use. ENERGY: 81000 4018.5322 20667.5405 14550.9846 245.1139 -203514.5713 2546.3194 0.0000 0.0000 52168.2849 -109317.7958 299.8119 -161486.0807 -108957.2293 299.2262 1.9524 23.9093 761145.8113 -4.4143 -4.4479 PRESSURE: 81200 178.048 22.3333 -98.0351 22.3349 -117.763 -46.2538 -98.0354 -46.2539 -259.725 GPRESSURE: 81200 59.6144 31.556 16.2584 -26.6103 41.2739 -156.88 -90.3556 66.6784 -232.997 PRESSAVG: 81200 -14.8358 -69.3732 6.85735 -69.3732 3.91819 -38.9683 6.85732 -38.9683 34.6291 GPRESSAVG: 81200 -14.9364 -72.1822 5.72629 -68.0825 4.33641 -40.9066 6.26156 -38.5047 33.9206 TIMING: 81200 CPU: 255.028, 0.00314263/step Wall: 255.028, 0.00314263/step, 4.29388 hours remaining, 227.605469 MB of memory in use. ENERGY: 81200 4044.1263 20517.3271 14527.6143 237.4508 -203422.4557 2711.2608 0.0000 0.0000 52204.7820 -109179.8945 300.0216 -161384.6765 -108816.5095 299.1593 -66.4802 -44.0363 762085.2225 7.9038 7.7735 PRESSURE: 81400 -52.1826 312.536 -197.808 312.535 -370.665 157.911 -197.807 157.913 299.734 GPRESSURE: 81400 -98.1688 181.651 -157.476 217.507 -265.423 107.677 -150.984 119.722 312.334 PRESSAVG: 81400 19.1155 19.4079 5.88447 19.4079 1.17118 17.0979 5.88439 17.098 2.06747 GPRESSAVG: 81400 18.4508 19.3054 7.80643 19.4197 0.200444 20.143 5.8477 13.4037 2.92121 TIMING: 81400 CPU: 255.655, 0.00313703/step Wall: 255.655, 0.00313703/step, 4.28605 hours remaining, 227.605469 MB of memory in use. ENERGY: 81400 4031.8272 20587.6757 14473.8768 246.2299 -203434.8228 2807.3275 0.0000 0.0000 52391.2738 -108896.6120 301.0934 -161287.8858 -108536.0047 299.5371 -41.0379 -17.0858 763678.4432 7.4514 7.1908 PRESSURE: 81600 200.474 11.421 37.5811 11.421 -136.396 -209.282 37.5816 -209.282 415.912 GPRESSURE: 81600 231.068 98.6592 60.9776 40.8028 -130.859 -137.809 91.7867 -246.592 469.146 PRESSAVG: 81600 -8.18351 -40.4204 -52.0655 -40.4203 -26.6317 -28.9385 -52.0654 -28.9385 5.88245 GPRESSAVG: 81600 -7.62963 -38.6312 -53.9399 -41.8308 -26.3518 -30.2379 -51.665 -27.8218 4.89398 TIMING: 81600 CPU: 256.285, 0.00314873/step Wall: 256.285, 0.00314873/step, 4.30187 hours remaining, 227.605469 MB of memory in use. ENERGY: 81600 3969.6647 20450.0609 14518.0655 247.1100 -203343.8079 2847.4033 0.0000 0.0000 52259.6745 -109051.8290 300.3371 -161311.5035 -108676.3862 300.1665 159.9966 189.7850 762567.5758 -9.6443 -9.6958 PRESSURE: 81800 104.224 -156.816 -212.797 -156.815 288.049 -54.5036 -212.796 -54.5041 -97.6003 GPRESSURE: 81800 192.967 -261.035 -207.96 -86.1989 328.131 -75.1765 -275.472 -75.002 -127.121 PRESSAVG: 81800 7.87502 -48.3576 -19.0051 -48.3575 -0.198596 -50.254 -19.0051 -50.254 18.3601 GPRESSAVG: 81800 7.78015 -48.3627 -19.3766 -48.0525 0.786304 -49.9509 -20.4057 -48.7691 17.5881 TIMING: 81800 CPU: 256.912, 0.00313729/step Wall: 256.912, 0.00313729/step, 4.28606 hours remaining, 227.605469 MB of memory in use. ENERGY: 81800 3962.6668 20587.9019 14512.1277 261.8483 -203642.8112 2843.8875 0.0000 0.0000 52259.9296 -109214.4494 300.3385 -161474.3790 -108852.2256 300.1964 98.2244 131.3254 761191.6230 8.6788 8.7182 PRESSURE: 82000 105.237 218.57 -171.436 218.57 193.169 -59.7606 -171.437 -59.7608 284.355 GPRESSURE: 82000 146.44 202.026 -196.052 205.958 267.963 -26.6473 -35.0936 -121.783 246.38 PRESSAVG: 82000 -66.2786 -15.5701 -5.08237 -15.57 40.5545 -82.5522 -5.08236 -82.5521 -7.45625 GPRESSAVG: 82000 -66.6062 -15.4121 -7.05911 -16.5731 40.7878 -82.7503 -2.83976 -82.5763 -7.03137 TIMING: 82000 CPU: 257.543, 0.00315197/step Wall: 257.543, 0.00315197/step, 4.30594 hours remaining, 227.605469 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: 82000 3907.6331 20581.8081 14489.9417 248.7237 -203475.3639 2742.3838 0.0000 0.0000 52341.6368 -109163.2367 300.8081 -161504.8735 -108798.8446 300.1094 194.2539 220.2611 759441.1049 -11.0601 -10.9499 PRESSURE: 82200 -70.1275 -40.9922 -34.0823 -40.9924 304.793 276.805 -34.0816 276.805 373.661 GPRESSURE: 82200 -22.7596 5.9099 -95.7414 -117.224 356.227 222.478 47.282 182.431 354.189 PRESSAVG: 82200 -83.1669 14.1237 -23.0657 14.1236 45.1401 -36.0038 -23.0657 -36.0038 -10.5996 GPRESSAVG: 82200 -83.3854 13.6229 -21.2654 14.7294 45.7216 -35.6817 -22.8465 -36.3312 -11.2033 TIMING: 82200 CPU: 258.17, 0.00313759/step Wall: 258.17, 0.00313759/step, 4.28613 hours remaining, 227.605469 MB of memory in use. ENERGY: 82200 3963.7409 20446.1363 14516.8103 259.6173 -203098.7569 2429.4378 0.0000 0.0000 52331.0660 -109151.9482 300.7474 -161483.0142 -108797.0673 299.7477 202.7755 229.2188 760547.2206 -16.2088 -16.2890 PRESSURE: 82400 74.5226 126.863 112.812 126.862 134.14 -263.739 112.812 -263.739 -84.6256 GPRESSURE: 82400 79.0993 -3.86953 99.1142 116.978 131.08 -215.163 121.821 -214.834 -11.095 PRESSAVG: 82400 -77.5082 3.61101 25.8777 3.611 71.044 -25.1482 25.8776 -25.1482 32.5858 GPRESSAVG: 82400 -77.6147 3.94791 26.1572 2.48237 69.8833 -25.6201 25.3137 -26.0332 33.6265 TIMING: 82400 CPU: 258.794, 0.00311996/step Wall: 258.794, 0.00311996/step, 4.26187 hours remaining, 227.605469 MB of memory in use. ENERGY: 82400 4015.6631 20605.7072 14464.6671 260.2455 -203668.1586 2848.7079 0.0000 0.0000 52215.9407 -109257.2271 300.0857 -161473.1678 -108895.1112 299.8534 41.3455 66.3616 759557.9765 8.7072 8.6317 PRESSURE: 82600 199.3 -224.649 -162.539 -224.648 299.516 85.3571 -162.539 85.3579 16.786 GPRESSURE: 82600 241.915 -282.787 -208.12 -271.051 347.392 45.1036 -116.243 -10.2394 7.90222 PRESSAVG: 82600 -26.3664 -35.2247 15.3149 -35.2248 43.858 10.6034 15.3149 10.6035 -10.4954 GPRESSAVG: 82600 -26.2209 -35.1774 15.5719 -34.6373 44.6039 11.1221 15.3204 10.6072 -11.5547 TIMING: 82600 CPU: 259.422, 0.00313895/step Wall: 259.422, 0.00313895/step, 4.28763 hours remaining, 227.605469 MB of memory in use. ENERGY: 82600 4022.4311 20525.3438 14481.5008 256.2450 -203227.8508 2758.8148 0.0000 0.0000 51963.5632 -109219.9520 298.6353 -161183.5152 -108874.1571 299.3758 171.8673 199.0695 760686.8978 2.3321 2.2761 PRESSURE: 82800 -307.259 -246.839 61.4015 -246.839 -19.0309 -13.7884 61.402 -13.7884 -15.424 GPRESSURE: 82800 -295.435 -268.837 39.497 -213.29 -16.3588 -70.9253 5.51238 -83.5148 59.1244 PRESSAVG: 82800 -19.5716 -42.9677 -11.3954 -42.9676 16.4975 -41.92 -11.3953 -41.9201 17.9241 GPRESSAVG: 82800 -19.3184 -44.037 -10.6709 -42.471 16.967 -42.6038 -13.0395 -41.0414 17.905 TIMING: 82800 CPU: 260.049, 0.00313306/step Wall: 260.049, 0.00313306/step, 4.27942 hours remaining, 227.605469 MB of memory in use. ENERGY: 82800 3940.8334 20645.6978 14559.6971 224.9574 -203113.9459 2504.6883 0.0000 0.0000 52119.7609 -109118.3110 299.5330 -161238.0719 -108769.7884 299.2203 -113.9047 -84.2230 761477.1982 4.9500 5.1845 PRESSURE: 83000 -96.6076 -137.796 -221.873 -137.797 -387.632 -41.3947 -221.873 -41.3951 -395.957 GPRESSURE: 83000 -169.493 -146.979 -302.775 -62.2503 -276.586 43.9772 -114.591 -109.041 -338.724 PRESSAVG: 83000 -32.0314 -32.1526 -3.97002 -32.1526 65.1686 69.2556 -3.97005 69.2556 -3.4987 GPRESSAVG: 83000 -32.5065 -33.3349 -4.66175 -31.6656 65.5732 70.8544 -1.3796 68.3703 -3.58869 TIMING: 83000 CPU: 260.678, 0.00314733/step Wall: 260.678, 0.00314733/step, 4.29873 hours remaining, 227.605469 MB of memory in use. ENERGY: 83000 3989.8252 20638.0319 14632.2317 235.2697 -202997.2099 2432.8926 0.0000 0.0000 52057.7501 -109011.2087 299.1766 -161068.9589 -108647.5699 299.7304 -293.3989 -261.6012 764234.2547 9.8795 9.8260 PRESSURE: 83200 121.304 187.987 -279.841 187.987 -75.1646 -74.4028 -279.842 -74.4027 -307.689 GPRESSURE: 83200 63.8869 232.767 -186.82 176.416 -12.0087 -130.657 -242.236 -104.145 -219.778 PRESSAVG: 83200 -32.0847 -52.2047 11.9966 -52.2047 -11.9529 -52.6989 11.9966 -52.6989 -14.4594 GPRESSAVG: 83200 -30.7012 -50.6476 11.9252 -51.5766 -13.0972 -53.7645 11.3308 -51.8606 -14.214 TIMING: 83200 CPU: 261.305, 0.0031337/step Wall: 261.305, 0.0031337/step, 4.27994 hours remaining, 227.605469 MB of memory in use. ENERGY: 83200 4024.8800 20422.5736 14545.2755 247.3529 -203155.7320 2789.5896 0.0000 0.0000 52147.1299 -108978.9304 299.6903 -161126.0603 -108615.5800 299.7973 -87.1834 -55.9665 763637.2096 -19.4990 -19.3375 PRESSURE: 83400 122.427 -39.3762 -9.14241 -39.3758 245.003 37.6461 -9.1424 37.647 -307.744 GPRESSURE: 83400 194.453 129.48 14.9204 57.4341 225.432 81.3764 -51.3513 49.5859 -281.371 PRESSAVG: 83400 -40.5243 38.5262 36.4946 38.5262 52.9929 -37.4826 36.4945 -37.4825 4.9228 GPRESSAVG: 83400 -41.2816 38.9981 36.6151 39.4166 53.9811 -38.1612 35.301 -36.4155 4.51994 TIMING: 83400 CPU: 261.93, 0.00312536/step Wall: 261.93, 0.00312536/step, 4.26838 hours remaining, 227.605469 MB of memory in use. ENERGY: 83400 3981.7577 20445.4103 14553.5488 251.9069 -203423.1730 2887.2565 0.0000 0.0000 52586.7549 -108716.5379 302.2168 -161303.2928 -108356.2946 300.5808 19.8954 46.1716 762375.1938 5.7971 5.7398 PRESSURE: 83600 92.3183 -19.4759 260.356 -19.4757 40.1195 27.9479 260.356 27.9491 60.8157 GPRESSURE: 83600 143.317 79.9297 211.676 -140.905 71.0791 25.6789 310.201 -23.9901 58.1419 PRESSAVG: 83600 14.9087 0.0240692 42.9061 0.0241058 -20.842 -17.3955 42.906 -17.3956 11.0357 GPRESSAVG: 83600 15.3875 1.11929 41.4994 -0.49909 -21.5198 -16.8289 45.2508 -19.2219 10.9234 TIMING: 83600 CPU: 262.559, 0.00314218/step Wall: 262.559, 0.00314218/step, 4.29116 hours remaining, 227.605469 MB of memory in use. ENERGY: 83600 4025.3074 20701.5441 14563.0955 257.8732 -202906.9364 2478.9508 0.0000 0.0000 52168.5865 -108711.5791 299.8136 -160880.1656 -108359.3380 301.2021 64.4178 90.8460 760999.9984 1.7008 1.5971 PRESSURE: 83800 44.5956 -156.431 -61.5592 -156.431 173.137 -171.742 -61.5587 -171.741 51.9983 GPRESSURE: 83800 58.9452 -19.1581 -101.666 -97.44 266.55 -124.659 -106.591 -118.037 19.337 PRESSAVG: 83800 -26.5356 -3.42936 53.8112 -3.42934 50.2679 -20.6352 53.8112 -20.6351 3.19605 GPRESSAVG: 83800 -27.0422 -2.68008 55.1808 -6.13302 48.7202 -21.0484 51.5066 -20.8775 4.99968 TIMING: 83800 CPU: 263.184, 0.00312893/step Wall: 263.184, 0.00312893/step, 4.2729 hours remaining, 227.605469 MB of memory in use. ENERGY: 83800 4022.1418 20680.0823 14545.3524 248.4583 -203712.3102 2839.5528 0.0000 0.0000 52296.3160 -109080.4066 300.5476 -161376.7226 -108717.6197 300.3469 89.9102 114.9441 760115.5290 8.9761 8.8926 PRESSURE: 84000 -80.7082 201.838 -196.68 201.837 -11.7125 -132.93 -196.68 -132.929 -49.1344 GPRESSURE: 84000 -83.2594 150.285 -237.747 137.016 18.8663 -78.7118 -26.3667 -148.514 -1.19609 PRESSAVG: 84000 -5.34574 -4.49233 -27.9087 -4.49228 24.4346 -57.9853 -27.9087 -57.9855 -12.4697 GPRESSAVG: 84000 -5.86066 -5.7129 -28.8912 -2.70401 26.8572 -58.4879 -26.9194 -54.8401 -13.743 TIMING: 84000 CPU: 263.812, 0.00314091/step Wall: 263.812, 0.00314091/step, 4.28908 hours remaining, 227.605469 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: 84000 3973.7983 20769.3303 14530.8624 260.4476 -203350.4931 2691.1004 0.0000 0.0000 52137.8440 -108987.1099 299.6369 -161124.9540 -108628.8320 300.0630 -47.1850 -21.8631 762672.9259 2.2064 2.4179 PRESSURE: 84200 -285.419 -153.97 268.324 -153.969 -108.979 -108.065 268.324 -108.066 207.327 GPRESSURE: 84200 -251.047 -76.5034 249.4 -140.776 -11.0062 -45.6584 356.475 -39.8308 163.911 PRESSAVG: 84200 3.65351 -27.5156 -9.96486 -27.5156 -4.55324 -25.2802 -9.96482 -25.2801 24.3748 GPRESSAVG: 84200 5.25915 -27.8732 -8.81263 -27.1816 -5.00285 -24.5566 -10.8729 -27.9973 23.2301 TIMING: 84200 CPU: 264.438, 0.00312844/step Wall: 264.438, 0.00312844/step, 4.27188 hours remaining, 227.605469 MB of memory in use. ENERGY: 84200 3983.1815 20533.3189 14577.2798 258.9680 -202991.5856 2635.0821 0.0000 0.0000 52296.1451 -108707.6102 300.5467 -161003.7553 -108334.8951 300.4134 -62.3569 -32.7142 763629.5717 7.8250 7.8288 LDB: ============= START OF LOAD BALANCING ============== 276.891 LDB: ============== END OF LOAD BALANCING =============== 276.891 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 276.892 LDB: ============= START OF LOAD BALANCING ============== 277.208 LDB: Largest compute 7067 load 0.038056 is 19.6% of average load 0.194531 LDB: Average compute 0.004409 is 2.3% of average load 0.194531 LDB: TIME 277.212 LOAD: AVG 0.194531 MAX 0.217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.117 MB LDB: TIME 277.212 LOAD: AVG 0.194531 MAX 0.217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.359 MB LDB: TIME 277.212 LOAD: AVG 0.194531 MAX 0.217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.359 MB LDB: ============== END OF LOAD BALANCING =============== 277.214 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 277.219 PRESSURE: 84400 -157.689 38.6163 -58.3721 38.6167 -178.725 -92.8535 -58.3728 -92.8529 -11.799 GPRESSURE: 84400 -91.9818 5.6124 -32.1963 -9.20961 -116.863 -117.091 77.5898 -120.128 -57.0121 PRESSAVG: 84400 -9.47602 -45.0612 -4.36294 -45.0612 35.4237 -45.9418 -4.36304 -45.9418 7.37375 GPRESSAVG: 84400 -9.42378 -44.3248 -6.34126 -46.0944 35.2003 -44.5698 -3.62342 -45.373 7.47586 TIMING: 84400 CPU: 265.083, 0.00322544/step Wall: 265.083, 0.00322544/step, 4.40415 hours remaining, 229.250000 MB of memory in use. ENERGY: 84400 3937.6205 20634.1866 14515.7437 247.5050 -202893.0961 2324.4589 0.0000 0.0000 52553.4937 -108680.0876 302.0257 -161233.5814 -108314.0575 300.6279 -116.0710 -88.6190 763090.7056 11.1072 11.0841 PRESSURE: 84600 -300.896 245.817 -10.8893 245.818 -160.957 -195.42 -10.8901 -195.421 -408.293 GPRESSURE: 84600 -247.458 237.16 -21.1662 279.452 -161.669 -236.316 -54.1242 -117.081 -393.464 PRESSAVG: 84600 12.3443 -20.895 21.1499 -20.895 22.2199 15.7485 21.1499 15.7485 10.5448 GPRESSAVG: 84600 10.8319 -19.9081 20.0856 -20.503 22.6908 13.721 19.8881 16.528 11.3033 TIMING: 84600 CPU: 265.715, 0.00316112/step Wall: 265.715, 0.00316112/step, 4.31616 hours remaining, 229.300781 MB of memory in use. ENERGY: 84600 4014.1256 20549.8436 14538.3821 250.5316 -202955.0676 2419.9018 0.0000 0.0000 52510.7667 -108671.5162 301.7801 -161182.2829 -108302.7581 300.8573 -290.0484 -267.5304 762264.7499 15.0363 14.9420 PRESSURE: 84800 37.904 -113.128 -148.688 -113.128 -179.441 -88.6429 -148.689 -88.6421 -22.5369 GPRESSURE: 84800 58.3583 -102.769 -191.146 -19.1944 -81.7674 27.7558 -141.482 -212.29 -57.4357 PRESSAVG: 84800 -5.74881 -37.9757 -11.5795 -37.9757 -3.05056 -12.7949 -11.5795 -12.7949 -17.0634 GPRESSAVG: 84800 -5.55402 -38.9293 -9.00513 -37.0491 -2.9618 -11.338 -11.5966 -14.0629 -17.2676 TIMING: 84800 CPU: 266.349, 0.00316607/step Wall: 266.349, 0.00316607/step, 4.32274 hours remaining, 229.304688 MB of memory in use. ENERGY: 84800 3925.3050 20603.5180 14505.0016 246.2114 -202995.0553 2474.7748 0.0000 0.0000 52370.2787 -108869.9658 300.9727 -161240.2445 -108503.2164 300.0468 -54.6912 -26.9483 762789.2545 -8.6209 -8.5945 PRESSURE: 85000 -368.14 22.8313 -158.206 22.8319 -77.0339 68.7027 -158.206 68.703 -111.487 GPRESSURE: 85000 -327.479 49.5005 -185.899 -62.0735 -107.747 5.11976 -153.443 88.8744 -55.2019 PRESSAVG: 85000 -3.57352 -8.29504 15.6821 -8.29503 21.2704 8.48628 15.6822 8.4863 -9.65643 GPRESSAVG: 85000 -2.46136 -10.4822 14.518 -7.83889 19.3352 8.51149 16.7228 6.18443 -9.85629 TIMING: 85000 CPU: 266.984, 0.0031776/step Wall: 266.984, 0.0031776/step, 4.33831 hours remaining, 229.542969 MB of memory in use. ENERGY: 85000 3951.0963 20662.6629 14448.8652 245.0065 -203032.4280 2395.6498 0.0000 0.0000 52157.2916 -109171.8558 299.7487 -161329.1474 -108812.7900 299.5908 -185.5539 -163.4759 762899.0757 2.6801 2.3392 PRESSURE: 85200 -134.804 108.862 -69.9493 108.862 -282.432 -47.9737 -69.9493 -47.9731 -34.6579 GPRESSURE: 85200 -124.078 110.629 -27.3488 222.875 -323.046 -152.705 31.4185 185.468 83.2838 PRESSAVG: 85200 45.2517 4.09188 18.7069 4.09193 -49.8202 3.90105 18.7069 3.90105 23.8373 GPRESSAVG: 85200 43.7212 5.45365 19.6001 2.82867 -47.7923 2.25585 19.5236 7.84981 23.6272 TIMING: 85200 CPU: 267.62, 0.00317857/step Wall: 267.62, 0.00317857/step, 4.33946 hours remaining, 229.542969 MB of memory in use. ENERGY: 85200 3949.2531 20614.9512 14522.2230 232.8827 -203225.2822 2641.6286 0.0000 0.0000 52113.5565 -109150.7872 299.4973 -161264.3437 -108773.4480 299.4256 -150.6312 -121.2801 762949.4247 6.4230 6.5187 PRESSURE: 85400 -415.198 195.586 -144.541 195.586 48.3516 -147.521 -144.54 -147.522 -169.708 GPRESSURE: 85400 -260.969 80.8513 -99.4803 135.981 34.4852 -60.2665 -122.168 -277.246 -245.583 PRESSAVG: 85400 38.2498 9.65288 20.7573 9.65286 -27.2009 -59.5825 20.7574 -59.5825 14.5167 GPRESSAVG: 85400 39.9426 9.99711 20.1912 8.28105 -29.0702 -59.8693 21.1015 -61.731 14.5391 TIMING: 85400 CPU: 268.253, 0.0031636/step Wall: 268.253, 0.0031636/step, 4.31884 hours remaining, 229.542969 MB of memory in use. ENERGY: 85400 3942.0251 20699.1028 14587.1827 251.9965 -203267.4896 2482.3581 0.0000 0.0000 52001.0047 -109303.8196 298.8505 -161304.8243 -108934.7728 299.3808 -178.8516 -157.3556 761821.8847 8.5219 8.4705 PRESSURE: 85600 119.339 -42.384 -90.7767 -42.3844 62.9736 -122.349 -90.7763 -122.349 -382.359 GPRESSURE: 85600 168.283 2.18665 -21.5695 -134.964 58.7998 -58.5412 -211.185 -100.89 -335.551 PRESSAVG: 85600 -8.36803 -45.3955 -25.2714 -45.3956 17.4729 -39.4996 -25.2714 -39.4995 20.1463 GPRESSAVG: 85600 -9.03153 -46.7374 -25.6857 -43.2935 16.8755 -37.5142 -25.2797 -38.9152 20.7118 TIMING: 85600 CPU: 268.88, 0.00313636/step Wall: 268.88, 0.00313636/step, 4.28148 hours remaining, 229.542969 MB of memory in use. ENERGY: 85600 4061.8258 20654.9366 14552.7763 236.9093 -203419.4271 2646.8549 0.0000 0.0000 52275.7569 -108990.3673 300.4295 -161266.1242 -108637.1459 299.7745 -66.6821 -36.1562 760664.0355 9.7504 9.5186 PRESSURE: 85800 -298.386 -145.745 184.735 -145.745 -81.9283 15.0977 184.735 15.0982 -173.359 GPRESSURE: 85800 -219.181 -142.598 163.533 -242.928 -197.808 -57.4006 187.843 9.75855 -46.6351 PRESSAVG: 85800 26.5466 -66.3885 -18.0554 -66.3885 -21.5835 -22.5585 -18.0554 -22.5585 -14.5147 GPRESSAVG: 85800 25.89 -66.9088 -17.2313 -66.179 -20.6684 -23.6556 -16.9382 -21.5309 -14.7543 TIMING: 85800 CPU: 269.51, 0.00314942/step Wall: 269.51, 0.00314942/step, 4.29913 hours remaining, 229.519531 MB of memory in use. ENERGY: 85800 4103.9666 20612.0203 14567.8426 250.1286 -202977.8256 2446.1221 0.0000 0.0000 52072.6985 -108925.0470 299.2625 -160997.7455 -108565.7580 299.9648 -184.5579 -154.5413 761643.2353 -3.1839 -3.1776 PRESSURE: 86000 241.61 -67.743 247.871 -67.7438 -17.1767 4.05211 247.87 4.05166 -309.14 GPRESSURE: 86000 249.239 -55.0413 309.421 40.8959 67.5811 -38.99 176.038 -10.1371 -289.668 PRESSAVG: 86000 -16.2413 -38.3935 -36.3702 -38.3935 61.5613 14.4921 -36.3702 14.4922 -8.10196 GPRESSAVG: 86000 -14.9028 -37.0942 -35.5632 -37.4761 61.4991 14.8581 -38.3993 12.413 -9.48493 TIMING: 86000 CPU: 270.14, 0.00314853/step Wall: 270.14, 0.00314853/step, 4.29774 hours remaining, 229.519531 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: 86000 3998.3939 20491.2244 14504.0905 247.3567 -202906.4739 2461.4069 0.0000 0.0000 52159.1642 -109044.8374 299.7594 -161204.0015 -108677.7148 299.7073 -28.2355 9.0507 760292.7782 12.4060 12.3705 PRESSURE: 86200 -44.076 -202.198 48.4105 -202.198 -114.396 -121.755 48.4108 -121.755 83.0705 GPRESSURE: 86200 -13.5437 -203.007 -1.03167 -225.883 -119.867 -76.9508 32.1899 -62.4324 138.881 PRESSAVG: 86200 29.0145 -73.6022 -20.6843 -73.6021 -7.2168 -2.08315 -20.6843 -2.08312 -15.0043 GPRESSAVG: 86200 28.3192 -74.5603 -20.4333 -75.6703 -7.51805 -1.26299 -22.6523 0.58847 -13.6016 TIMING: 86200 CPU: 270.77, 0.00315029/step Wall: 270.77, 0.00315029/step, 4.29997 hours remaining, 229.519531 MB of memory in use. ENERGY: 86200 4008.8629 20509.7844 14558.7916 263.3176 -203097.6332 2539.8698 0.0000 0.0000 52110.6529 -109106.3540 299.4806 -161217.0069 -108748.6778 300.0736 -25.1337 1.8235 761369.4843 2.2645 2.3999 PRESSURE: 86400 -434.684 -144.602 85.4737 -144.602 -652.99 173.661 85.4738 173.661 -405.167 GPRESSURE: 86400 -379.333 -199.418 55.1846 -225.843 -553.801 107.583 38.3561 170.471 -477.956 PRESSAVG: 86400 14.7287 -20.1941 -13.7659 -20.1941 -25.9258 -13.6956 -13.766 -13.6956 3.1256 GPRESSAVG: 86400 14.8818 -20.0697 -14.8026 -20.2641 -26.1145 -16.5132 -12.7738 -14.2032 3.38724 TIMING: 86400 CPU: 271.401, 0.00315577/step Wall: 271.401, 0.00315577/step, 4.30727 hours remaining, 229.519531 MB of memory in use. ENERGY: 86400 4010.4595 20521.8730 14470.7036 262.5190 -202799.7895 2373.5696 0.0000 0.0000 52077.9166 -109082.7483 299.2925 -161160.6648 -108715.2460 299.5928 -497.6135 -470.3633 762771.5509 -2.6905 -2.6152 PRESSURE: 86600 -163.922 -89.0328 52.8439 -89.0325 -461.023 137.075 52.8425 137.076 346.016 GPRESSURE: 86600 -165.094 -244.641 93.8242 -151.965 -347.7 39.3025 91.8861 116.5 326.776 PRESSAVG: 86600 40.171 -30.2975 6.86399 -30.2974 -9.71121 -10.7535 6.864 -10.7535 9.5412 GPRESSAVG: 86600 40.9698 -30.6612 6.77997 -27.971 -9.38414 -10.2949 9.09241 -11.7802 7.97105 TIMING: 86600 CPU: 272.028, 0.0031369/step Wall: 272.028, 0.0031369/step, 4.28135 hours remaining, 229.546875 MB of memory in use. ENERGY: 86600 4015.2027 20489.4023 14457.2383 249.0958 -203045.4928 2486.9557 0.0000 0.0000 52000.2238 -109347.3742 298.8460 -161347.5980 -108987.7327 299.3938 -92.9762 -62.0059 762420.3126 13.3337 13.1856 PRESSURE: 86800 -222.71 85.1402 52.3069 85.1409 -89.1552 -168.445 52.307 -168.444 -259.951 GPRESSURE: 86800 -214.29 115.571 96.3479 116.794 -62.2008 -169.062 136.686 -205.833 -216.255 PRESSAVG: 86800 7.10112 -53.6793 -1.88692 -53.6793 19.2186 16.8363 -1.88692 16.8363 -7.84574 GPRESSAVG: 86800 4.45438 -53.6018 -0.549309 -54.6018 20.5528 17.4513 -2.02951 17.1155 -6.73478 TIMING: 86800 CPU: 272.654, 0.00312937/step Wall: 272.654, 0.00312937/step, 4.27089 hours remaining, 229.546875 MB of memory in use. ENERGY: 86800 4070.9637 20521.1470 14522.6930 251.7942 -202949.6350 2395.8960 0.0000 0.0000 51898.3069 -109288.8343 298.2603 -161187.1411 -108923.2642 298.9493 -190.6053 -164.2486 763044.5653 6.1580 6.0908 PRESSURE: 87000 -270.132 -147.213 51.1151 -147.213 407.934 -45.3535 51.1155 -45.3532 65.7218 GPRESSURE: 87000 -157.766 -19.533 12.7858 -77.2448 396.632 81.243 111.213 -113.402 44.6331 PRESSAVG: 87000 -18.5041 -50.2323 -32.9314 -50.2323 -16.7003 -27.4136 -32.9314 -27.4137 16.6999 GPRESSAVG: 87000 -16.3942 -47.0855 -34.0683 -49.9085 -16.939 -27.3668 -33.8338 -27.7358 15.0073 TIMING: 87000 CPU: 273.279, 0.0031246/step Wall: 273.279, 0.0031246/step, 4.26421 hours remaining, 229.546875 MB of memory in use. ENERGY: 87000 3884.1235 20486.7843 14585.4514 239.6815 -203271.3503 2586.8007 0.0000 0.0000 52037.5300 -109450.9789 299.0604 -161488.5089 -109086.4133 298.9361 67.8411 94.5000 762934.8742 -6.1682 -6.1086 PRESSURE: 87200 -304.395 -206.651 -54.0859 -206.652 -108.633 88.9687 -54.0847 88.9673 -73.9005 GPRESSURE: 87200 -283.447 -200.829 10.9592 -354.85 -83.7595 93.1115 123.069 87.8895 -42.4004 PRESSAVG: 87200 -24.7372 -65.579 31.145 -65.579 29.9279 -35.9644 31.1449 -35.9643 4.44659 GPRESSAVG: 87200 -25.1636 -68.6187 31.9316 -65.5478 28.6256 -35.1464 32.9896 -35.8509 5.85268 TIMING: 87200 CPU: 273.907, 0.00314156/step Wall: 273.907, 0.00314156/step, 4.28718 hours remaining, 229.546875 MB of memory in use. ENERGY: 87200 3966.6691 20496.3768 14547.3719 256.2513 -203190.4404 2369.1201 0.0000 0.0000 51927.8815 -109626.7697 298.4302 -161554.6512 -109271.1183 298.6757 -162.3095 -136.5355 761604.0310 3.2124 3.1049 PRESSURE: 87400 -28.731 16.4282 314.111 16.4283 147.493 -87.1292 314.11 -87.1287 -118.678 GPRESSURE: 87400 25.7049 43.6031 288.762 -24.2746 235.84 -172.367 332.174 -65.7176 -175.779 PRESSAVG: 87400 -30.4232 -54.2325 85.4458 -54.2325 39.3259 -17.4635 85.4458 -17.4635 2.58028 GPRESSAVG: 87400 -31.5669 -53.489 84.5576 -54.5326 40.3073 -17.4176 85.8321 -15.8193 2.81713 TIMING: 87400 CPU: 274.537, 0.00314723/step Wall: 274.537, 0.00314723/step, 4.29475 hours remaining, 229.546875 MB of memory in use. ENERGY: 87400 4028.1221 20512.0045 14569.0524 256.5943 -203468.2214 2641.2037 0.0000 0.0000 51892.7353 -109568.5090 298.2283 -161461.2443 -109220.3186 298.5246 0.0280 28.5887 759310.1076 3.8277 3.8525 PRESSURE: 87600 73.2302 -39.0918 238.132 -39.0929 260.407 -75.7352 238.133 -75.734 -38.2824 GPRESSURE: 87600 214.173 -46.9517 289.278 -5.50049 174.696 -133.337 228.972 -237.344 -24.703 PRESSAVG: 87600 -112.783 -51.6902 31.7104 -51.6902 71.4992 -5.81544 31.7104 -5.81546 2.21892 GPRESSAVG: 87600 -112.372 -50.6454 32.3579 -53.7206 71.5792 -6.49413 29.6912 -6.42784 1.51388 TIMING: 87600 CPU: 275.165, 0.00313965/step Wall: 275.165, 0.00313965/step, 4.28423 hours remaining, 229.546875 MB of memory in use. ENERGY: 87600 4030.1494 20618.1467 14573.2431 225.6651 -203349.4912 2515.9136 0.0000 0.0000 52098.7176 -109287.6556 299.4120 -161386.3732 -108924.4919 298.7257 98.4515 121.3885 762065.4604 -13.0217 -13.0930 PRESSURE: 87800 189.163 -110.939 -68.7935 -110.938 -151.494 73.8725 -68.7939 73.8731 -118.579 GPRESSURE: 87800 135.541 -164.577 -54.7576 8.88852 -68.1799 71.9577 4.67893 120.479 -75.9935 PRESSAVG: 87800 -81.4184 -78.0229 16.2758 -78.0229 99.2523 27.4813 16.2758 27.4813 -5.52668 GPRESSAVG: 87800 -81.7188 -76.406 16.9941 -77.376 99.7564 26.0628 15.9126 28.0732 -5.26868 TIMING: 87800 CPU: 275.788, 0.00311902/step Wall: 275.788, 0.00311902/step, 4.25591 hours remaining, 229.546875 MB of memory in use. ENERGY: 87800 3906.8494 20431.3515 14535.2665 240.6066 -203606.5021 2818.8801 0.0000 0.0000 52163.8605 -109509.6874 299.7864 -161673.5479 -109140.2674 298.8361 -26.9701 -2.8776 762245.8970 4.1024 4.2563 PRESSURE: 88000 133.689 -169.872 -181.974 -169.872 61.5165 189.039 -181.973 189.041 432.147 GPRESSURE: 88000 76.3056 -123.77 -156.663 -92.7501 171.391 240.432 36.7496 71.2656 460.304 PRESSAVG: 88000 -56.6881 -31.8636 11.4838 -31.8636 20.5594 23.9204 11.4838 23.9204 -15.5259 GPRESSAVG: 88000 -56.8713 -36.733 12.1156 -32.1132 20.5117 25.0143 12.2987 21.7799 -15.3743 TIMING: 88000 CPU: 276.417, 0.00314258/step Wall: 276.417, 0.00314258/step, 4.28787 hours remaining, 229.546875 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: 88000 3953.1468 20441.9151 14523.3789 246.9895 -203404.3160 2704.5225 0.0000 0.0000 51898.4516 -109635.9116 298.2611 -161534.3632 -109282.5749 299.0442 209.1174 236.0002 761656.0821 -17.2182 -17.2446 PRESSURE: 88200 -145.498 -90.0223 84.1607 -90.0222 -40.3142 19.1908 84.1618 19.1906 -155.64 GPRESSURE: 88200 -117.525 -66.0011 64.4761 -0.0192453 -4.66882 131.359 2.73399 178.529 -137.233 PRESSAVG: 88200 -29.6065 18.147 -5.44688 18.147 18.2667 -2.2083 -5.44688 -2.20824 8.33505 GPRESSAVG: 88200 -30.3082 19.9782 -7.01314 19.8357 18.8275 -2.12411 -5.1392 -1.61033 8.46409 TIMING: 88200 CPU: 277.042, 0.00312466/step Wall: 277.042, 0.00312466/step, 4.26325 hours remaining, 229.546875 MB of memory in use. ENERGY: 88200 3964.5975 20375.0377 14550.5831 250.6582 -203190.2385 2532.6435 0.0000 0.0000 52011.4401 -109505.2784 298.9105 -161516.7184 -109153.0232 298.7594 -113.8176 -86.4757 761235.8232 -1.0016 -1.0055 LDB: ============= START OF LOAD BALANCING ============== 289.494 LDB: ============== END OF LOAD BALANCING =============== 289.494 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 289.496 LDB: ============= START OF LOAD BALANCING ============== 289.813 LDB: Largest compute 7076 load 0.039117 is 20.1% of average load 0.194735 LDB: Average compute 0.004415 is 2.3% of average load 0.194735 LDB: TIME 289.816 LOAD: AVG 0.194735 MAX 0.212418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 229.859 MB LDB: TIME 289.816 LOAD: AVG 0.194735 MAX 0.212418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.953 MB LDB: TIME 289.816 LOAD: AVG 0.194735 MAX 0.212418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 229.953 MB LDB: ============== END OF LOAD BALANCING =============== 289.818 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 289.823 PRESSURE: 88400 -195.294 -96.3398 -51.3022 -96.3406 -4.40817 -244.635 -51.3031 -244.634 -211.859 GPRESSURE: 88400 -76.7463 -148.139 17.0627 -140.236 -20.5177 -256.631 -240.552 -251.377 -227.005 PRESSAVG: 88400 -69.2309 -22.6418 -14.6325 -22.6417 51.0139 -2.19862 -14.6325 -2.19858 -6.98347 GPRESSAVG: 88400 -67.4406 -21.3241 -14.0715 -25.3848 50.3053 -1.59254 -16.4745 -1.7892 -8.16129 TIMING: 88400 CPU: 277.687, 0.00322751/step Wall: 277.687, 0.00322751/step, 4.40339 hours remaining, 229.363281 MB of memory in use. ENERGY: 88400 3971.0480 20510.3650 14544.2211 242.8249 -203344.5376 2638.7771 0.0000 0.0000 51969.7984 -109467.5031 298.6711 -161437.3015 -109111.2369 298.5237 -137.1871 -108.0898 760504.5107 -8.4002 -8.4322 PRESSURE: 88600 66.4144 49.3551 -164.836 49.3549 267.541 -213.005 -164.836 -213.005 26.2373 GPRESSURE: 88600 85.6868 95.8078 -174.458 32.2174 312.602 -182.913 -79.6675 -178.169 41.3139 PRESSAVG: 88600 -36.5406 -37.4902 -37.271 -37.4902 9.87756 6.71833 -37.2711 6.7184 11.9583 GPRESSAVG: 88600 -36.8267 -39.4925 -37.2023 -34.5108 10.4657 6.52605 -37.1369 6.01076 12.3173 TIMING: 88600 CPU: 278.314, 0.0031318/step Wall: 278.314, 0.0031318/step, 4.27265 hours remaining, 229.363281 MB of memory in use. ENERGY: 88600 3995.3670 20426.4122 14509.7854 234.5481 -203362.1608 2893.7593 0.0000 0.0000 52090.3647 -109211.9241 299.3640 -161302.2888 -108866.0448 298.7897 120.0642 146.5342 761962.5108 -4.9016 -4.6813 PRESSURE: 88800 -187.919 -298.911 -296.401 -298.911 -97.1152 181.078 -296.401 181.077 49.5828 GPRESSURE: 88800 -151.87 -380.503 -354.124 -152.918 -12.927 84.0494 -57.3717 97.354 12.3842 PRESSAVG: 88800 -19.5826 25.6606 -49.1198 25.6606 10.8246 3.55467 -49.1197 3.55473 18.5595 GPRESSAVG: 88800 -20.3153 26.4174 -49.1173 23.6394 10.1394 3.40486 -48.7231 3.68689 19.7012 TIMING: 88800 CPU: 278.944, 0.00315009/step Wall: 278.944, 0.00315009/step, 4.29743 hours remaining, 229.363281 MB of memory in use. ENERGY: 88800 3914.4110 20575.7670 14504.0115 250.0215 -203292.8724 2564.4966 0.0000 0.0000 52286.7337 -109197.4311 300.4926 -161484.1648 -108830.4691 299.3247 -78.4839 -50.8042 762116.5234 3.2671 3.1751 PRESSURE: 89000 332.859 24.4478 -32.9883 24.4474 278.751 -124.643 -32.9884 -124.642 -213.846 GPRESSURE: 89000 322.413 3.71218 -39.4278 -109.014 240.963 -78.677 40.3962 61.6684 -79.763 PRESSAVG: 89000 -12.7931 -47.9354 41.7089 -47.9354 33.3402 -3.202 41.709 -3.20204 -10.8314 GPRESSAVG: 89000 -13.7842 -47.3657 40.631 -48.3091 33.7664 -5.0927 43.0534 -2.19829 -9.98364 TIMING: 89000 CPU: 279.571, 0.00313843/step Wall: 279.571, 0.00313843/step, 4.28134 hours remaining, 229.363281 MB of memory in use. ENERGY: 89000 3969.3926 20688.5469 14452.0381 243.0136 -203097.3860 2617.7450 0.0000 0.0000 51744.1252 -109382.5247 297.3742 -161126.6499 -109021.6275 299.5915 132.5878 161.2042 761804.0728 3.2386 3.3328 PRESSURE: 89200 355.468 -9.76491 105.866 -9.76442 67.1576 80.1493 105.867 80.1485 270.167 GPRESSURE: 89200 349.951 75.1485 40.7871 -22.5422 106.111 55.4221 150.024 71.1135 340.091 PRESSAVG: 89200 -15.2998 4.54037 23.8273 4.54042 29.199 8.60455 23.8272 8.60455 -0.950967 GPRESSAVG: 89200 -14.0222 5.00762 22.5405 5.38153 29.0757 10.3246 23.5175 8.41086 -1.76632 TIMING: 89200 CPU: 280.196, 0.00312425/step Wall: 280.196, 0.00312425/step, 4.26182 hours remaining, 229.363281 MB of memory in use. ENERGY: 89200 4032.2192 20556.0519 14507.7206 246.2229 -203448.5067 2827.1784 0.0000 0.0000 51834.7852 -109444.3286 297.8952 -161279.1138 -109076.9705 299.1562 230.9311 265.3843 762955.2433 4.3161 4.4291 PRESSURE: 89400 -152.653 25.6818 178.893 25.6818 -349.723 -169.551 178.893 -169.552 -234.131 GPRESSURE: 89400 -122.947 63.3694 162.71 82.1931 -343.713 -168.055 198.248 -165.871 -187.469 PRESSAVG: 89400 -31.2637 -18.9577 24.04 -18.9577 7.20606 -39.9558 24.04 -39.9558 17.4131 GPRESSAVG: 89400 -31.1235 -18.9608 24.837 -19.5302 7.50367 -41.1547 26.4425 -40.0136 17.0777 TIMING: 89400 CPU: 280.823, 0.00313508/step Wall: 280.823, 0.00313508/step, 4.27643 hours remaining, 229.363281 MB of memory in use. ENERGY: 89400 4000.1472 20622.4930 14585.0694 264.0189 -203364.2553 2516.4882 0.0000 0.0000 51920.9815 -109455.0571 298.3906 -161376.0386 -109098.9769 298.5232 -245.5026 -218.0426 763306.5597 -2.2148 -2.1807 PRESSURE: 89600 -12.8987 -53.4749 20.2698 -53.475 -266.499 19.4112 20.2693 19.4122 -55.4134 GPRESSURE: 89600 -33.8119 -17.525 -40.498 -213.576 -191.018 -79.6255 182.879 153.172 -26.9047 PRESSAVG: 89600 50.6345 35.7493 70.4194 35.7493 -42.7575 -21.3303 70.4195 -21.3303 9.94152 GPRESSAVG: 89600 50.7774 34.5067 72.0747 36.5964 -42.8666 -22.5836 68.0096 -20.5281 10.1752 TIMING: 89600 CPU: 281.45, 0.00313495/step Wall: 281.45, 0.00313495/step, 4.27608 hours remaining, 229.363281 MB of memory in use. ENERGY: 89600 4004.2039 20444.4197 14501.5068 255.3614 -202775.8262 2274.4239 0.0000 0.0000 51824.4996 -109471.4109 297.8361 -161295.9105 -109103.1525 298.9724 -111.6039 -83.9115 761659.1590 5.9395 6.0287 PRESSURE: 89800 105.161 121.941 108.188 121.942 185.957 -45.9693 108.189 -45.9703 -176.955 GPRESSURE: 89800 66.7373 185.742 60.0625 170.663 183.416 -86.6209 -102.878 -5.91504 -49.6472 PRESSAVG: 89800 -19.3917 -40.1407 -13.0148 -40.1406 4.36261 9.14215 -13.0148 9.14213 -3.60367 GPRESSAVG: 89800 -18.6714 -40.4998 -13.2342 -40.19 3.93402 10.4601 -12.1672 9.33656 -4.17544 TIMING: 89800 CPU: 282.078, 0.00314076/step Wall: 282.078, 0.00314076/step, 4.28382 hours remaining, 229.363281 MB of memory in use. ENERGY: 89800 3992.5878 20477.4977 14484.0166 235.5121 -203464.3563 2621.3295 0.0000 0.0000 52108.8115 -109544.6011 299.4701 -161653.4126 -109182.8730 298.8017 38.0545 66.8355 760497.2594 -6.2109 -6.3043 PRESSURE: 90000 -292.703 -128.796 104.901 -128.796 -335.725 -167.283 104.901 -167.283 -139.605 GPRESSURE: 90000 -286.388 -137.192 -7.04225 -20.4606 -279.916 -158.883 152.681 -176.268 -127.747 PRESSAVG: 90000 -16.3561 -46.6876 -2.93562 -46.6876 -11.4819 -42.3077 -2.93562 -42.3077 -9.70469 GPRESSAVG: 90000 -15.9835 -46.6136 -5.38347 -46.6328 -11.7049 -42.2544 -3.17503 -43.468 -9.61821 TIMING: 90000 CPU: 282.705, 0.00313444/step Wall: 282.705, 0.00313444/step, 4.27502 hours remaining, 229.363281 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: 90000 3958.0587 20443.2692 14522.6837 252.5352 -202520.1435 1953.7087 0.0000 0.0000 51813.5478 -109576.3402 297.7732 -161389.8880 -109215.2569 298.3928 -256.0111 -231.3506 762024.6903 -12.5142 -12.4355 PRESSURE: 90200 -239.412 75.2007 -251.94 75.2007 -240.939 -66.1974 -251.94 -66.1979 177.735 GPRESSURE: 90200 -150.334 -28.4428 -285.965 25.4426 -269.466 9.557 -263.5 -28.9922 203.511 PRESSAVG: 90200 -3.5513 -60.428 -21.8193 -60.4281 27.1494 18.1278 -21.8193 18.1278 3.27601 GPRESSAVG: 90200 -4.368 -58.5177 -20.9464 -60.9256 27.6679 19.8706 -20.7979 18.785 3.50419 TIMING: 90200 CPU: 283.332, 0.00313435/step Wall: 283.332, 0.00313435/step, 4.27472 hours remaining, 229.363281 MB of memory in use. ENERGY: 90200 4016.0878 20623.7117 14577.0669 231.0205 -203441.7922 2481.5472 0.0000 0.0000 51970.4283 -109541.9298 298.6748 -161512.3581 -109198.7463 298.8066 -100.8719 -72.0962 760691.3482 8.9580 8.9347 PRESSURE: 90400 9.79746 -231.165 88.8747 -231.165 -145.683 294.941 88.8748 294.942 -472.109 GPRESSURE: 90400 -59.5258 -232.905 83.1514 -238.215 -57.6637 272.298 42.0411 283.541 -398.481 PRESSAVG: 90400 -87.0446 5.90007 -30.8319 5.90012 46.2424 -26.5804 -30.8319 -26.5804 -1.69964 GPRESSAVG: 90400 -87.0019 5.62387 -29.5489 5.19658 46.4515 -28.2164 -33.1049 -27.8273 -2.51814 TIMING: 90400 CPU: 283.965, 0.00316321/step Wall: 283.965, 0.00316321/step, 4.31391 hours remaining, 229.363281 MB of memory in use. ENERGY: 90400 4010.4849 20510.1868 14474.9205 239.7745 -202877.0330 2126.0288 0.0000 0.0000 52007.6003 -109508.0371 298.8884 -161515.6374 -109144.7261 298.6809 -202.6648 -171.8903 760403.3427 -14.1673 -14.3562 PRESSURE: 90600 5.41453 -66.3098 -128.259 -66.3099 91.3475 36.8967 -128.259 36.8974 -98.2473 GPRESSURE: 90600 26.8663 -18.1792 -59.1394 -109.913 145.936 -10.9895 -95.0114 110.504 -103.82 PRESSAVG: 90600 8.81771 -10.8107 -5.82535 -10.8107 2.44819 52.7985 -5.82531 52.7985 6.02254 GPRESSAVG: 90600 8.6943 -11.133 -6.83256 -8.97347 0.982852 54.2805 -4.8963 53.4146 7.40644 TIMING: 90600 CPU: 284.591, 0.00313193/step Wall: 284.591, 0.00313193/step, 4.27108 hours remaining, 229.363281 MB of memory in use. ENERGY: 90600 4004.6689 20694.4275 14520.3061 246.1306 -203441.7209 2620.0398 0.0000 0.0000 51874.0599 -109482.0880 298.1209 -161356.1480 -109122.2494 298.9606 -0.4951 22.9943 760454.2905 5.7628 5.6945 PRESSURE: 90800 56.92 33.5942 -85.2382 33.5941 -49.7134 -205.72 -85.2377 -205.72 372.425 GPRESSURE: 90800 164.765 -51.1792 -64.6318 109.281 -17.4697 -161.028 -100.533 -208.906 317.074 PRESSAVG: 90800 7.71782 2.1905 -15.3228 2.19044 1.53049 39.3067 -15.3228 39.3067 -10.9052 GPRESSAVG: 90800 7.9135 1.82811 -14.9224 0.928257 2.04432 39.5429 -15.3984 39.1336 -11.7133 TIMING: 90800 CPU: 285.217, 0.00313146/step Wall: 285.217, 0.00313146/step, 4.27027 hours remaining, 229.363281 MB of memory in use. ENERGY: 90800 3925.8466 20616.2796 14510.3739 225.3973 -203468.9291 2625.2326 0.0000 0.0000 52232.3752 -109333.4238 300.1802 -161565.7990 -108974.6867 298.9193 126.5438 154.7896 760228.2083 -0.5523 -0.5852 PRESSURE: 91000 -121.275 -158.025 62.9916 -158.025 5.35107 -103.552 62.9919 -103.553 -207.959 GPRESSURE: 91000 -38.5403 -20.3771 96.0244 -177.826 -31.8186 -52.2817 86.7496 -117.938 -163.954 PRESSAVG: 91000 2.11606 -13.3883 29.0736 -13.3883 21.8552 1.07627 29.0736 1.07624 28.7824 GPRESSAVG: 91000 1.87118 -12.7965 27.9118 -14.8639 22.1797 1.42307 29.3258 0.305381 29.0905 TIMING: 91000 CPU: 285.84, 0.00311485/step Wall: 285.84, 0.00311485/step, 4.24745 hours remaining, 229.363281 MB of memory in use. ENERGY: 91000 4035.8544 20561.3429 14553.5224 247.4776 -203644.8124 2606.1318 0.0000 0.0000 52295.6104 -109344.8730 300.5436 -161640.4834 -108977.6465 299.8058 -107.9608 -78.1041 760276.3977 17.5845 17.7138 PRESSURE: 91200 -184.228 -170.092 -2.07286 -170.092 142.914 37.3238 -2.07305 37.3237 -41.9837 GPRESSURE: 91200 -110.76 -178.411 63.8569 -134.193 118.381 -32.9872 -44.8468 -19.2558 -21.4158 PRESSAVG: 91200 -25.0833 -67.1663 22.839 -67.1662 20.226 6.05595 22.839 6.05587 4.13912 GPRESSAVG: 91200 -25.3543 -67.7798 22.7731 -65.0689 20.2566 5.14711 24.5155 5.99085 3.60973 TIMING: 91200 CPU: 286.464, 0.0031153/step Wall: 286.464, 0.0031153/step, 4.24789 hours remaining, 229.363281 MB of memory in use. ENERGY: 91200 3995.2774 20491.1829 14566.3175 260.0898 -203554.8534 2715.6397 0.0000 0.0000 52032.0574 -109494.2886 299.0289 -161526.3460 -109133.7440 299.3035 -27.7658 -4.5982 762036.2600 -0.2394 -0.4960 PRESSURE: 91400 -409.442 -13.3311 341.966 -13.3305 -164.014 113.447 341.965 113.446 -436.961 GPRESSURE: 91400 -385.619 -38.9744 334.21 144.455 -121.243 69.4377 138.486 83.657 -419.945 PRESSAVG: 91400 -58.848 13.4634 18.1649 13.4634 67.79 18.1403 18.165 18.1403 -8.69286 GPRESSAVG: 91400 -59.4739 11.5582 18.427 15.4133 68.8183 19.0458 16.873 18.8216 -8.3244 TIMING: 91400 CPU: 287.088, 0.0031235/step Wall: 287.088, 0.0031235/step, 4.25889 hours remaining, 229.363281 MB of memory in use. ENERGY: 91400 4038.5824 20466.6444 14534.1816 233.1681 -203716.5428 2596.1880 0.0000 0.0000 52305.7772 -109542.0011 300.6020 -161847.7783 -109177.5840 299.9046 -336.8056 -308.9357 760959.4997 0.0831 0.3400 PRESSURE: 91600 -159.61 160.591 -29.409 160.592 -254.218 -198.163 -29.4091 -198.163 116.826 GPRESSURE: 91600 -100.57 107.386 37.7603 157.686 -173.666 -109.322 -96.6503 -266.295 51.1434 PRESSAVG: 91600 -18.5091 12.4068 34.3811 12.4068 47.4073 11.9764 34.3812 11.9764 4.82213 GPRESSAVG: 91600 -17.2309 13.1036 34.5674 10.1703 47.2882 11.4442 34.5499 10.2017 4.09792 TIMING: 91600 CPU: 287.717, 0.0031451/step Wall: 287.717, 0.0031451/step, 4.28817 hours remaining, 229.363281 MB of memory in use. ENERGY: 91600 4025.0132 20644.2555 14558.5930 263.4577 -203329.0362 2463.4794 0.0000 0.0000 51904.6353 -109469.6020 298.2967 -161374.2374 -109118.9070 299.2911 -99.0005 -74.3643 762792.7929 11.2401 11.3851 PRESSURE: 91800 -151.338 54.4289 -402.514 54.4299 361.533 39.4821 -402.513 39.4832 63.8303 GPRESSURE: 91800 -78.7216 73.5251 -340.877 80.8184 384.091 115.094 -313.97 42.0119 49.1566 PRESSAVG: 91800 -41.2291 -0.598828 24.6453 -0.59876 36.0831 55.5501 24.6453 55.5501 -25.9608 GPRESSAVG: 91800 -40.9433 1.98475 24.1674 -1.07845 34.9899 54.1193 25.1065 59.0077 -25.0479 TIMING: 91800 CPU: 288.346, 0.00314509/step Wall: 288.346, 0.00314509/step, 4.28798 hours remaining, 229.363281 MB of memory in use. ENERGY: 91800 4001.1859 20586.9586 14603.5901 267.8022 -203415.5393 2654.4885 0.0000 0.0000 51930.9629 -109370.5511 298.4480 -161301.5140 -109003.7005 299.0978 91.3418 118.1754 762426.3058 -10.3689 -10.3338 PRESSURE: 92000 -235.478 -80.0854 -109.454 -80.0848 -121.364 45.2733 -109.453 45.2733 -216.079 GPRESSURE: 92000 -198.883 -17.5491 -137.041 -19.9645 -162.205 -29.3586 -121.375 79.2376 -109.478 PRESSAVG: 92000 -37.5645 -11.4913 -52.882 -11.4913 62.8352 42.3518 -52.882 42.3518 6.47279 GPRESSAVG: 92000 -38.7161 -10.5684 -53.6575 -12.3811 63.9824 45.291 -51.4402 40.4158 6.99048 TIMING: 92000 CPU: 288.972, 0.00313109/step Wall: 288.972, 0.00313109/step, 4.26872 hours remaining, 229.363281 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: 92000 4056.4476 20619.0745 14501.4807 259.3079 -202948.2901 2362.2124 0.0000 0.0000 51786.2743 -109363.4927 297.6164 -161149.7671 -109008.5141 298.9030 -190.9737 -156.8552 762864.7128 10.5812 10.7523 PRESSURE: 92200 -222.938 -37.4818 139.28 -37.4822 29.2243 90.6457 139.28 90.6453 -101.891 GPRESSURE: 92200 -228.335 149.747 70.7727 -170.407 132.418 184.449 41.9929 134.351 -101.878 PRESSAVG: 92200 27.6635 23.1154 -27.2878 23.1154 5.55278 27.9741 -27.2878 27.9742 17.2232 GPRESSAVG: 92200 27.4215 22.4345 -26.5635 22.332 5.24322 25.4315 -29.3822 28.0492 17.7386 TIMING: 92200 CPU: 289.598, 0.00313004/step Wall: 289.598, 0.00313004/step, 4.26712 hours remaining, 229.363281 MB of memory in use. ENERGY: 92200 4028.3835 20516.9946 14531.9776 255.0019 -203186.7054 2676.3470 0.0000 0.0000 51974.0710 -109203.9298 298.6957 -161178.0009 -108839.1393 299.2675 -98.5351 -65.9315 763461.1361 16.8132 16.8011 LDB: ============= START OF LOAD BALANCING ============== 302.051 LDB: ============== END OF LOAD BALANCING =============== 302.051 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.052 LDB: ============= START OF LOAD BALANCING ============== 302.368 LDB: Largest compute 7076 load 0.036427 is 18.7% of average load 0.194626 LDB: Average compute 0.004416 is 2.3% of average load 0.194626 LDB: TIME 302.371 LOAD: AVG 0.194626 MAX 0.214413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 228.852 MB LDB: TIME 302.371 LOAD: AVG 0.194626 MAX 0.214413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.852 MB LDB: TIME 302.371 LOAD: AVG 0.194626 MAX 0.214413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 228.852 MB LDB: ============== END OF LOAD BALANCING =============== 302.373 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.378 PRESSURE: 92400 -11.9189 246.323 133.577 246.322 379.918 188.798 133.576 188.799 387.806 GPRESSURE: 92400 41.9612 186.895 40.6371 125.678 336.873 150.853 37.4829 89.7609 467.668 PRESSAVG: 92400 -48.0612 -25.4659 -12.8887 -25.466 -17.879 -39.4689 -12.8887 -39.469 -22.7624 GPRESSAVG: 92400 -47.5149 -24.9433 -10.7949 -24.7695 -17.3136 -40.2479 -16.7428 -39.0827 -23.6333 TIMING: 92400 CPU: 290.242, 0.00321875/step Wall: 290.242, 0.00321875/step, 4.38787 hours remaining, 229.621094 MB of memory in use. ENERGY: 92400 3953.0940 20508.3612 14528.6491 250.3619 -203486.9029 2805.9079 0.0000 0.0000 52144.8423 -109295.6866 299.6771 -161440.5289 -108939.0119 299.1105 251.9351 282.1675 765243.2855 -29.5675 -29.4873 PRESSURE: 92600 149.416 -46.8798 -137.953 -46.8795 -265.246 -246.235 -137.952 -246.236 126.161 GPRESSURE: 92600 139.59 -91.9458 -51.4636 -62.3182 -236.028 -195.479 -84.7891 -197.486 200.762 PRESSAVG: 92600 -13.6376 -61.3556 5.30668 -61.3556 24.0093 -13.2582 5.30669 -13.2581 33.4568 GPRESSAVG: 92600 -12.5869 -64.5825 3.48637 -60.3033 23.3087 -12.5093 9.08988 -11.9485 32.9355 TIMING: 92600 CPU: 290.867, 0.00312619/step Wall: 290.867, 0.00312619/step, 4.26152 hours remaining, 229.824219 MB of memory in use. ENERGY: 92600 4011.9354 20498.4903 14491.1894 255.9205 -202793.1902 2394.0770 0.0000 0.0000 51925.6587 -109215.9190 298.4175 -161141.5776 -108862.1265 299.0169 3.4438 34.7745 765248.6968 14.6095 14.5524 PRESSURE: 92800 -303.882 -53.9249 78.4161 -53.9254 -537.291 82.1202 78.4152 82.1196 -365.914 GPRESSURE: 92800 -360.212 -67.4839 37.4131 -106.989 -360.407 159.251 8.67845 -26.4143 -416.055 PRESSAVG: 92800 28.447 -48.6559 -4.78201 -48.6559 -4.34364 -64.5616 -4.782 -64.5615 -15.7491 GPRESSAVG: 92800 26.8843 -47.0583 -6.10672 -50.0904 -3.93991 -63.9863 -5.31352 -65.5446 -14.7738 TIMING: 92800 CPU: 291.497, 0.00314667/step Wall: 291.497, 0.00314667/step, 4.28926 hours remaining, 229.824219 MB of memory in use. ENERGY: 92800 4109.6785 20624.7511 14502.7689 238.6646 -202853.6619 2219.8988 0.0000 0.0000 52034.8076 -109123.0923 299.0448 -161157.9000 -108763.8663 299.4559 -402.3624 -378.8911 762587.9839 2.7848 2.7235 PRESSURE: 93000 -83.8529 172.875 -61.9803 172.874 207.71 -179.079 -61.9791 -179.078 -274.156 GPRESSURE: 93000 -14.077 73.5133 -91.6849 241.978 228.501 -289.887 132.426 -144.666 -276.207 PRESSAVG: 93000 9.49439 -14.6954 12.1954 -14.6953 8.53674 -29.0609 12.1955 -29.0609 -9.39291 GPRESSAVG: 93000 9.7647 -15.5096 13.662 -11.2344 7.524 -27.7508 13.9525 -30.1008 -8.50322 TIMING: 93000 CPU: 292.129, 0.00316019/step Wall: 292.129, 0.00316019/step, 4.30751 hours remaining, 229.824219 MB of memory in use. ENERGY: 93000 3971.9431 20489.6422 14429.1358 240.1375 -202793.2527 2220.8399 0.0000 0.0000 52105.3101 -109336.2441 299.4499 -161441.5542 -108958.4479 299.5636 -50.0995 -20.5940 762318.4414 2.8794 2.9285 PRESSURE: 93200 86.4593 7.89104 -8.76572 7.89068 153.275 -59.0832 -8.7652 -59.0838 57.1814 GPRESSURE: 93200 96.9662 -30.3289 14.2244 68.118 154.424 -68.0309 77.0787 31.4609 118.835 PRESSAVG: 93200 -55.2445 -44.6227 -5.11649 -44.6227 26.277 -1.36639 -5.11649 -1.36643 13.996 GPRESSAVG: 93200 -54.846 -44.8928 -4.60852 -46.3435 26.7595 -3.48601 -4.00878 0.321526 12.9492 TIMING: 93200 CPU: 292.754, 0.00312796/step Wall: 292.754, 0.00312796/step, 4.2634 hours remaining, 229.824219 MB of memory in use. ENERGY: 93200 3926.6538 20650.0472 14567.1287 248.7558 -203762.0265 2954.0396 0.0000 0.0000 52198.5046 -109216.8968 299.9855 -161415.4014 -108859.2667 299.1686 98.9719 123.4086 760281.1692 -4.9905 -5.0458 PRESSURE: 93400 173.623 -166.545 -3.59904 -166.545 107.019 28.2774 -3.59945 28.2762 139.784 GPRESSURE: 93400 219.034 -225.282 -85.7195 -81.2732 95.7753 133.793 -90.4994 -7.62005 173.648 PRESSAVG: 93400 -55.3239 -25.1193 49.7492 -25.1194 45.219 -24.2622 49.7492 -24.2622 5.38927 GPRESSAVG: 93400 -55.6426 -24.8381 47.6724 -26.8399 44.7283 -23.5684 47.7721 -24.9283 6.06453 TIMING: 93400 CPU: 293.38, 0.00312713/step Wall: 293.38, 0.00312713/step, 4.2621 hours remaining, 229.824219 MB of memory in use. ENERGY: 93400 3953.1278 20567.1166 14514.0334 248.4988 -203173.4085 2598.6389 0.0000 0.0000 52116.0629 -109175.9301 299.5117 -161291.9930 -108822.5826 299.7743 140.1420 162.8191 760699.7099 -1.5719 -1.6166 PRESSURE: 93600 -105.442 71.1672 -65.6274 71.1668 220.056 -44.4536 -65.6276 -44.4536 -377.317 GPRESSURE: 93600 -22.7984 153.217 -114.928 -11.1521 174.254 -61.3217 -53.1257 -20.2983 -328.503 PRESSAVG: 93600 -32.2097 -23.0746 29.9509 -23.0747 21.4652 -2.21783 29.9509 -2.21779 7.46086 GPRESSAVG: 93600 -31.8422 -23.0308 31.8177 -21.6199 21.0237 -0.408055 30.5442 -0.683003 7.49222 TIMING: 93600 CPU: 294.011, 0.00315785/step Wall: 294.011, 0.00315785/step, 4.3038 hours remaining, 229.824219 MB of memory in use. ENERGY: 93600 4009.9883 20748.1976 14485.4619 251.9900 -203288.3524 2479.4651 0.0000 0.0000 52061.2779 -109251.9714 299.1969 -161313.2493 -108897.0082 300.0269 -87.5678 -59.0155 760185.2559 -1.0946 -1.1088 PRESSURE: 93800 -223.635 150.31 160.936 150.311 -66.8351 197.68 160.935 197.679 2.40353 GPRESSURE: 93800 -153.381 121.991 104.604 76.0454 -66.3363 227.068 148.858 157.197 20.5778 PRESSAVG: 93800 -26.5077 16.0496 -24.7632 16.0497 23.8745 -16.6965 -24.7631 -16.6966 19.5793 GPRESSAVG: 93800 -27.5215 15.3854 -24.4303 15.6114 24.7491 -17.0074 -23.2088 -19.1234 19.2754 TIMING: 93800 CPU: 294.641, 0.00314864/step Wall: 294.641, 0.00314864/step, 4.29107 hours remaining, 229.824219 MB of memory in use. ENERGY: 93800 4003.4348 20531.7463 14554.5736 241.0407 -203414.4196 2692.3662 0.0000 0.0000 52109.8289 -109281.4290 299.4759 -161391.2579 -108916.1844 299.8724 -96.0221 -66.3797 760929.9441 5.6487 5.5010 PRESSURE: 94000 -231.079 -97.6988 -75.3372 -97.6993 -155.994 -7.81597 -75.3375 -7.81402 -143.977 GPRESSURE: 94000 -155.638 -146.173 -13.6587 -85.5255 -200.883 25.8306 -2.76322 -41.8674 -65.5455 PRESSAVG: 94000 -63.5989 5.24825 -11.6706 5.24825 62.0274 14.7296 -11.6706 14.7296 -10.4539 GPRESSAVG: 94000 -63.0382 9.59946 -11.4242 5.657 61.1277 13.42 -12.4173 16.5828 -10.1093 TIMING: 94000 CPU: 295.273, 0.00316142/step Wall: 295.273, 0.00316142/step, 4.30832 hours remaining, 229.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 94000 4061.7809 20492.5109 14487.9956 269.3410 -203450.7662 2688.4424 0.0000 0.0000 52026.3838 -109424.3115 298.9963 -161450.6953 -109055.2114 299.3693 -177.0166 -140.6889 762701.9505 -4.0085 -4.0066 PRESSURE: 94200 -155.723 -146.995 -27.2595 -146.995 -370.813 28.4616 -27.2592 28.4605 -142.173 GPRESSURE: 94200 -199.837 -71.4331 -99.6901 44.7542 -228.739 88.3909 61.2635 61.5871 -152.449 PRESSAVG: 94200 -29.3726 -37.441 -34.5708 -37.441 -19.7406 7.17925 -34.5708 7.1792 29.9054 GPRESSAVG: 94200 -30.7518 -39.8924 -33.8654 -38.0316 -18.4741 8.0969 -36.0714 8.2236 29.7893 TIMING: 94200 CPU: 295.906, 0.00316358/step Wall: 295.906, 0.00316358/step, 4.31108 hours remaining, 229.824219 MB of memory in use. ENERGY: 94200 4032.5912 20490.4322 14494.8527 242.4874 -203150.4162 2213.8795 0.0000 0.0000 52231.5092 -109444.6640 300.1752 -161676.1732 -109079.6983 298.7575 -222.9028 -193.6753 762958.4461 -6.4026 -6.4789 PRESSURE: 94400 75.889 9.29277 46.4423 9.2915 57.1173 17.4538 46.4414 17.4541 -29.1162 GPRESSURE: 94400 113.716 -89.6959 36.3285 62.1163 113.175 73.8718 124.17 -109.528 -33.532 PRESSAVG: 94400 -47.7856 -6.67305 -36.3489 -6.67304 39.8573 -29.8566 -36.349 -29.8566 -6.16086 GPRESSAVG: 94400 -48.9321 -5.61464 -37.9777 -5.33849 41.0171 -30.4732 -34.5983 -31.9184 -6.59525 TIMING: 94400 CPU: 296.539, 0.00316408/step Wall: 296.539, 0.00316408/step, 4.31159 hours remaining, 229.824219 MB of memory in use. ENERGY: 94400 4034.5140 20376.3559 14465.3063 248.7816 -203208.5723 2466.0762 0.0000 0.0000 52073.7163 -109543.8220 299.2684 -161617.5383 -109169.6040 299.1577 34.6301 64.4531 760860.3152 -4.6964 -4.8368 PRESSURE: 94600 -377.748 -228.211 -117.179 -228.212 246.004 -176.739 -117.18 -176.738 828.869 GPRESSURE: 94600 -246.725 -221.537 -50.4394 -236.031 303.272 -203.046 -196.675 -50.5772 721.24 PRESSAVG: 94600 -67.6868 19.8278 13.6734 19.8278 35.0842 -9.66976 13.6734 -9.66968 -7.76368 GPRESSAVG: 94600 -66.6018 17.7446 13.841 19.1152 33.3325 -8.18753 10.8051 -8.74721 -7.0984 TIMING: 94600 CPU: 297.171, 0.00315804/step Wall: 297.171, 0.00315804/step, 4.30317 hours remaining, 229.824219 MB of memory in use. ENERGY: 94600 3965.9048 20464.9714 14533.6684 244.4037 -203570.7333 2767.1802 0.0000 0.0000 51988.1375 -109606.4673 298.7765 -161594.6048 -109244.7012 298.8631 232.3753 259.2625 761695.9277 -13.4554 -13.4559 PRESSURE: 94800 -278.915 -47.5523 152.148 -47.5526 -203.76 98.4044 152.147 98.4042 -609.13 GPRESSURE: 94800 -217.986 -55.735 86.2872 -44.7405 -183.001 67.1554 99.8151 81.1981 -586.241 PRESSAVG: 94800 -91.1546 -19.9866 -12.6774 -19.9866 63.5201 -18.7801 -12.6774 -18.78 -10.6369 GPRESSAVG: 94800 -90.0319 -18.3854 -11.3677 -19.5796 64.0802 -20.0998 -13.935 -18.9126 -12.1663 TIMING: 94800 CPU: 297.805, 0.00317035/step Wall: 297.805, 0.00317035/step, 4.31978 hours remaining, 229.824219 MB of memory in use. ENERGY: 94800 4034.1808 20655.9810 14468.9054 245.0755 -203414.1757 2380.2114 0.0000 0.0000 52147.3811 -109482.4405 299.6917 -161629.8216 -109142.8143 299.0191 -363.9347 -329.0759 761254.6076 -12.7571 -12.7060 PRESSURE: 95000 -62.2222 149.432 85.4616 149.432 317.64 372.883 85.4618 372.883 -330.946 GPRESSURE: 95000 31.7273 90.6784 25.595 108.696 267.242 458.285 173.229 306.29 -277.65 PRESSAVG: 95000 -59.097 -13.4472 49.0745 -13.4472 36.1951 1.43706 49.0744 1.43701 -11.351 GPRESSAVG: 95000 -58.895 -13.3714 46.8656 -14.0781 36.1385 2.04963 52.9635 1.17273 -11.5448 TIMING: 95000 CPU: 298.436, 0.00315568/step Wall: 298.436, 0.00315568/step, 4.29962 hours remaining, 229.824219 MB of memory in use. ENERGY: 95000 3986.7077 20554.4578 14514.3567 265.6924 -203278.4948 2542.7821 0.0000 0.0000 51922.2610 -109492.2371 298.3979 -161414.4981 -109132.1045 298.9858 -25.1761 7.1065 759654.7492 -11.4176 -11.4338 PRESSURE: 95200 -252.945 98.4651 113.417 98.4642 60.0107 24.2981 113.417 24.2978 -170.251 GPRESSURE: 95200 -186.455 71.6258 166.666 86.368 100.217 -34.8086 138.167 -9.23165 -181.237 PRESSAVG: 95200 59.1671 -11.3545 14.0832 -11.3545 34.0827 13.8226 14.0831 13.8225 -13.1596 GPRESSAVG: 95200 57.2556 -12.4661 16.2263 -10.2263 34.7792 14.7351 13.5476 12.6964 -12.1732 TIMING: 95200 CPU: 299.069, 0.00316756/step Wall: 299.069, 0.00316756/step, 4.31562 hours remaining, 229.824219 MB of memory in use. ENERGY: 95200 3935.0376 20367.7028 14488.5235 230.6438 -203322.8413 2413.2219 0.0000 0.0000 52202.2700 -109685.4418 300.0072 -161887.7118 -109314.1658 299.0265 -121.0615 -89.1584 760318.7483 26.6967 26.6205 PRESSURE: 95400 -87.413 137.43 -48.5523 137.431 -352.691 -54.333 -48.5515 -54.3335 124.543 GPRESSURE: 95400 -52.3001 99.0659 -20.5861 124.153 -288.95 -32.5858 -119.684 -9.37719 121.444 PRESSAVG: 95400 -32.1095 -9.59372 35.1503 -9.59368 57.057 0.612137 35.1502 0.612138 2.38661 GPRESSAVG: 95400 -31.715 -8.70788 35.7336 -10.2917 56.4861 -0.799656 33.7806 2.41133 2.87717 TIMING: 95400 CPU: 299.703, 0.0031701/step Wall: 299.703, 0.0031701/step, 4.31891 hours remaining, 229.824219 MB of memory in use. ENERGY: 95400 4020.7638 20582.6553 14494.7925 233.3305 -203073.0850 2360.7585 0.0000 0.0000 51709.8915 -109670.8929 297.1775 -161380.7844 -109315.8171 298.7146 -105.1871 -73.2687 761534.8842 9.1114 9.2161 PRESSURE: 95600 32.8898 -175.773 -74.2664 -175.773 12.6729 59.6532 -74.2666 59.6534 67.3738 GPRESSURE: 95600 127.859 -130.5 -9.92485 -113.342 47.2682 168.469 -106.441 -0.985661 8.08735 PRESSAVG: 95600 -26.0318 -40.2112 -7.53084 -40.2113 19.3462 -56.7865 -7.53081 -56.7866 -15.306 GPRESSAVG: 95600 -26.3933 -40.9061 -9.24106 -39.3491 20.4545 -56.1977 -3.94472 -56.1806 -16.6295 TIMING: 95600 CPU: 300.339, 0.00317712/step Wall: 300.339, 0.00317712/step, 4.32829 hours remaining, 229.824219 MB of memory in use. ENERGY: 95600 3989.4653 20386.4822 14502.1967 223.8942 -203554.5780 2331.1357 0.0000 0.0000 52217.3985 -109904.0054 300.0941 -162121.4039 -109525.9476 298.5073 37.6455 61.0716 760394.1748 -7.3305 -7.5228 PRESSURE: 95800 18.3212 -103.752 117.998 -103.752 52.7123 99.7077 117.997 99.7068 260.348 GPRESSURE: 95800 82.5487 -55.6562 96.3196 -92.8385 125.415 157.745 164.959 20.1016 217.978 PRESSAVG: 95800 -13.5218 -19.8488 -30.1096 -19.8488 30.1343 -5.44945 -30.1096 -5.4495 3.39201 GPRESSAVG: 95800 -13.203 -19.7956 -30.4583 -19.5533 29.0247 -5.96152 -30.7376 -6.04952 4.52681 TIMING: 95800 CPU: 300.971, 0.00316346/step Wall: 300.971, 0.00316346/step, 4.30951 hours remaining, 229.824219 MB of memory in use. ENERGY: 95800 3977.2020 20467.4809 14563.1840 250.7477 -203822.1586 2637.6047 0.0000 0.0000 52099.3019 -109826.6374 299.4154 -161925.9393 -109466.0995 298.3223 110.4604 141.9805 761518.0247 6.6682 6.7828 PRESSURE: 96000 142.106 -271.623 136.53 -271.622 108.179 179.304 136.53 179.303 -235.108 GPRESSURE: 96000 193.647 -277.135 75.0645 -232.337 128.708 223.726 4.15409 13.5683 -229.59 PRESSAVG: 96000 32.5551 -42.3915 -11.9896 -42.3915 25.686 -0.633037 -11.9896 -0.632968 -2.35277 GPRESSAVG: 96000 32.1869 -41.5063 -11.3781 -42.4331 25.5109 -1.09169 -11.4182 -0.741915 -1.69817 TIMING: 96000 CPU: 301.599, 0.00313692/step Wall: 301.599, 0.00313692/step, 4.27318 hours remaining, 229.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 96000 3939.2245 20709.4478 14516.6951 256.5632 -203696.8397 2655.6390 0.0000 0.0000 51878.3873 -109740.8827 298.1458 -161619.2700 -109381.4044 298.6513 5.0591 30.9217 759992.9837 18.6294 18.6665 PRESSURE: 96200 -76.3725 59.659 152.602 59.659 -592.22 30.2901 152.602 30.2899 -323.102 GPRESSURE: 96200 -24.0459 -2.45689 146.822 64.5013 -564.41 106.915 178.741 -19.0923 -295.732 PRESSAVG: 96200 -41.2478 -6.9405 0.0568097 -6.94041 17.0352 -0.829795 0.0567949 -0.829728 -3.80007 GPRESSAVG: 96200 -41.4724 -6.6094 -0.19747 -6.87764 17.8106 0.447661 -2.44255 -3.28723 -4.47753 TIMING: 96200 CPU: 302.226, 0.00313828/step Wall: 302.226, 0.00313828/step, 4.27485 hours remaining, 229.824219 MB of memory in use. ENERGY: 96200 3948.7174 20500.5889 14510.0999 244.8665 -203091.8650 2263.6445 0.0000 0.0000 51853.4245 -109770.5234 298.0023 -161623.9479 -109411.7273 298.5351 -330.5647 -294.7293 762690.7713 -9.3376 -9.3798 LDB: ============= START OF LOAD BALANCING ============== 314.678 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 314.678 LDB: =============== DONE WITH MIGRATION ================ 314.68 LDB: ============= START OF LOAD BALANCING ============== 314.997 LDB: Largest compute 7059 load 0.036613 is 18.8% of average load 0.194690 LDB: Average compute 0.004408 is 2.3% of average load 0.194690 LDB: TIME 315 LOAD: AVG 0.19469 MAX 0.221947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.203 MB LDB: TIME 315 LOAD: AVG 0.19469 MAX 0.221947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.203 MB LDB: TIME 315 LOAD: AVG 0.19469 MAX 0.210389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.203 MB LDB: ============== END OF LOAD BALANCING =============== 315.002 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 315.007 PRESSURE: 96400 -235.949 -110.62 25.4499 -110.62 -0.0577843 30.6262 25.4504 30.6254 -148.704 GPRESSURE: 96400 -249.31 -29.7093 36.9033 12.9995 98.775 55.141 100.255 8.14071 -147.738 PRESSAVG: 96400 -12.201 -12.4324 7.88984 -12.4324 2.32437 -16.1853 7.88984 -16.1853 -15.6752 GPRESSAVG: 96400 -11.6518 -13.4404 9.10941 -12.6436 2.3522 -17.7097 8.02045 -15.5309 -16.2585 TIMING: 96400 CPU: 302.871, 0.00322366/step Wall: 302.871, 0.00322366/step, 4.39098 hours remaining, 228.855469 MB of memory in use. ENERGY: 96400 3944.2245 20488.8450 14470.1479 252.0987 -203262.0882 2520.9746 0.0000 0.0000 51895.4191 -109690.3783 298.2437 -161585.7974 -109324.0592 298.5296 -128.2372 -99.4245 761893.4137 -8.5173 -8.5194 PRESSURE: 96600 -442.016 -0.214089 15.9465 -0.214656 61.1787 61.7166 15.9465 61.7174 -702.027 GPRESSURE: 96600 -501.115 -106.763 -46.7076 21.1494 108.19 -13.895 100.223 137.2 -602.733 PRESSAVG: 96600 23.5546 -46.8271 9.22101 -46.8271 20.2399 20.745 9.22094 20.7451 0.584546 GPRESSAVG: 96600 24.053 -47.5957 8.85595 -45.9062 19.8869 21.1457 11.1533 23.306 0.685221 TIMING: 96600 CPU: 303.504, 0.00316164/step Wall: 303.504, 0.00316164/step, 4.30633 hours remaining, 228.855469 MB of memory in use. ENERGY: 96600 3964.9108 20604.3134 14518.4928 249.9791 -203027.2661 2205.1241 0.0000 0.0000 51754.3564 -109730.0896 297.4330 -161484.4460 -109371.7562 298.7708 -360.9547 -331.8861 760356.2834 14.7930 14.8750 PRESSURE: 96800 129.263 -203.655 6.08455 -203.655 364.863 -14.9686 6.08435 -14.9681 168.393 GPRESSURE: 96800 118.733 -214.99 -24.722 -24.011 351.957 31.8217 -111.46 -69.9349 268.607 PRESSAVG: 96800 10.122 -31.842 -26.988 -31.842 14.4695 -48.8565 -26.9881 -48.8565 3.37555 GPRESSAVG: 96800 8.74205 -31.5491 -26.2556 -32.0148 15.5829 -47.4456 -29.4319 -50.4529 3.37903 TIMING: 96800 CPU: 304.135, 0.00315543/step Wall: 304.135, 0.00315543/step, 4.2977 hours remaining, 228.855469 MB of memory in use. ENERGY: 96800 4041.9426 20627.3362 14468.2042 249.2106 -203541.0735 2620.4679 0.0000 0.0000 51759.5275 -109774.3843 297.4627 -161533.9118 -109425.8339 298.1457 220.8395 246.4321 759543.8151 9.3223 9.2347 PRESSURE: 97000 -186.114 38.4476 -49.5376 38.4474 48.3544 -123.2 -49.537 -123.2 274.335 GPRESSURE: 97000 -74.1249 -58.6225 -32.0209 -15.6634 3.35585 -73.1385 -38.4512 -33.8002 264.252 PRESSAVG: 97000 -2.89388 -67.9896 -5.35117 -67.9897 53.4213 -27.8344 -5.35119 -27.8343 4.10069 GPRESSAVG: 97000 -2.53902 -68.1756 -7.45053 -68.7586 51.4989 -28.7092 -3.90693 -29.2161 4.80523 TIMING: 97000 CPU: 304.763, 0.00314091/step Wall: 304.763, 0.00314091/step, 4.27774 hours remaining, 228.855469 MB of memory in use. ENERGY: 97000 3984.3147 20695.4335 14424.4830 231.5750 -203387.4726 2391.5343 0.0000 0.0000 52292.2927 -109367.8394 300.5245 -161660.1321 -109008.2419 298.8946 45.5249 64.4944 760179.3143 18.2094 17.9217 PRESSURE: 97200 88.561 -108.267 82.5052 -108.267 415.95 -65.9088 82.5044 -65.9089 196.592 GPRESSURE: 97200 215.862 -167.367 118.919 -84.8749 396.941 -46.0506 120.209 -148.067 180.956 PRESSAVG: 97200 -11.9865 -80.1323 41.4229 -80.1323 25.3427 -55.7799 41.4229 -55.7798 -16.6897 GPRESSAVG: 97200 -12.9232 -79.4153 43.4159 -80.6849 26.5212 -56.7742 40.327 -52.9513 -17.1836 TIMING: 97200 CPU: 305.395, 0.00315975/step Wall: 305.395, 0.00315975/step, 4.30322 hours remaining, 228.855469 MB of memory in use. ENERGY: 97200 3974.7015 20630.0445 14535.6090 250.7737 -203417.9453 2603.2976 0.0000 0.0000 51970.2975 -109453.2214 298.6740 -161423.5190 -109093.4083 299.5092 233.7011 264.5861 760874.5123 -1.1111 -1.1952 PRESSURE: 97400 314.925 32.9709 127.792 32.9705 179.744 -62.0951 127.791 -62.0947 142.422 GPRESSURE: 97400 310.006 -8.23998 79.8758 -48.8035 250.823 -116.53 111.001 -80.2719 166.559 PRESSAVG: 97400 -33.8107 -51.9201 41.3861 -51.9201 61.3839 0.0171039 41.3861 0.0171382 13.5906 GPRESSAVG: 97400 -33.6122 -52.7028 40.9523 -52.2237 60.1473 0.310143 40.2737 -1.62151 14.1421 TIMING: 97400 CPU: 306.027, 0.00316318/step Wall: 306.027, 0.00316318/step, 4.30773 hours remaining, 228.855469 MB of memory in use. ENERGY: 97400 3940.7422 20652.8867 14559.8430 243.0653 -203809.9811 2740.4716 0.0000 0.0000 52213.0128 -109459.9596 300.0689 -161672.9724 -109097.1436 299.2836 212.3636 242.4631 761109.2761 13.7213 13.5591 PRESSURE: 97600 179.587 -102.016 37.1288 -102.016 239.196 96.7446 37.1285 96.7453 384.178 GPRESSURE: 97600 179.599 -117.911 4.16776 -80.7977 339.964 140.013 -14.8185 145.628 367.114 PRESSAVG: 97600 -26.3791 -48.9431 33.5105 -48.9431 13.8954 33.4745 33.5105 33.4744 -2.50575 GPRESSAVG: 97600 -25.5307 -49.0622 33.9273 -48.9675 13.5811 33.4717 33.8834 32.7164 -3.01482 TIMING: 97600 CPU: 306.659, 0.00315958/step Wall: 306.659, 0.00315958/step, 4.30265 hours remaining, 228.855469 MB of memory in use. ENERGY: 97600 3996.0619 20492.0753 14463.0128 250.1538 -203645.8259 2889.1757 0.0000 0.0000 52218.7703 -109336.5761 300.1020 -161555.3464 -108971.8831 298.9921 267.6534 295.5590 761080.4602 -4.9965 -4.9882 PRESSURE: 97800 -162.06 -24.4471 36.8369 -24.4474 -449.75 -110.799 36.8383 -110.799 -58.8814 GPRESSURE: 97800 -211.073 18.8942 -17.8054 67.1347 -334.099 1.24981 142.876 -67.3211 -51.0972 PRESSAVG: 97800 15.2929 -21.6752 -49.9994 -21.6752 15.9207 -24.9978 -49.9993 -24.9979 10.5571 GPRESSAVG: 97800 15.9164 -22.512 -50.729 -21.1323 15.3763 -24.9336 -45.0911 -23.5035 10.6562 TIMING: 97800 CPU: 307.293, 0.00316887/step Wall: 307.293, 0.00316887/step, 4.31512 hours remaining, 228.855469 MB of memory in use. ENERGY: 97800 3925.3749 20492.1022 14615.2726 253.2291 -203045.2149 2437.3456 0.0000 0.0000 51893.3312 -109428.5594 298.2317 -161321.8905 -109076.5865 299.2329 -223.5638 -198.7563 762854.3440 13.9236 13.9830 PRESSURE: 98000 -370.46 -165.201 125.639 -165.201 55.0794 64.7388 125.639 64.74 -437.025 GPRESSURE: 98000 -317.429 -169.408 149.335 -115.283 68.781 69.3062 -20.2643 78.4849 -416.147 PRESSAVG: 98000 -71.9106 10.883 39.7298 10.883 35.458 -48.6518 39.7299 -48.6518 27.9013 GPRESSAVG: 98000 -71.9528 12.4608 40.5034 11.5002 34.8733 -48.7775 35.2459 -48.8536 28.5187 TIMING: 98000 CPU: 307.925, 0.00315874/step Wall: 307.925, 0.00315874/step, 4.30116 hours remaining, 228.855469 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: 98000 4090.2538 20621.5506 14567.0289 227.6028 -203316.7198 2534.2323 0.0000 0.0000 52020.6234 -109255.4279 298.9632 -161276.0513 -108892.0669 299.5052 -250.8017 -221.5984 761249.0263 -2.8504 -2.8536 PRESSURE: 98200 -119.516 117.664 -4.16412 117.664 -222.307 2.14606 -4.16372 2.14548 -223.531 GPRESSURE: 98200 -155.768 112.215 85.4295 123.014 -121.871 16.2224 33.3561 85.7168 -176.255 PRESSAVG: 98200 -45.0227 9.16395 22.1336 9.16396 -26.9682 -12.7099 22.1337 -12.71 -10.5712 GPRESSAVG: 98200 -45.8779 8.82365 20.9511 7.72978 -26.0655 -11.2424 23.0671 -14.7143 -10.8874 TIMING: 98200 CPU: 308.557, 0.0031614/step Wall: 308.557, 0.0031614/step, 4.30459 hours remaining, 228.855469 MB of memory in use. ENERGY: 98200 4064.8994 20504.9676 14487.1562 271.2691 -203185.3209 2570.2927 0.0000 0.0000 52107.6006 -109179.1354 299.4631 -161286.7360 -108808.0925 299.4389 -188.4514 -151.2978 763026.8125 -27.5207 -27.6103 PRESSURE: 98400 199.443 121.819 52.6808 121.818 306.923 -45.5152 52.6804 -45.5155 21.6062 GPRESSURE: 98400 216.308 140.035 43.4842 61.8749 416.589 -147.919 60.9638 30.7708 -14.9001 PRESSAVG: 98400 -10.6479 4.13653 18.3973 4.13653 41.4128 34.7158 18.3974 34.7157 -26.7944 GPRESSAVG: 98400 -10.8986 4.93244 18.4578 5.10181 42.5124 33.2555 19.4109 36.8418 -27.3615 TIMING: 98400 CPU: 309.186, 0.00314367/step Wall: 309.186, 0.00314367/step, 4.28029 hours remaining, 228.855469 MB of memory in use. ENERGY: 98400 3983.5913 20686.8693 14457.3961 242.8543 -203692.8151 2741.0468 0.0000 0.0000 52052.3373 -109528.7200 299.1455 -161581.0572 -109167.1109 299.7696 175.9908 205.9990 760700.7217 1.3235 1.4174 PRESSURE: 98600 155.021 266.572 -122.705 266.572 477.755 -68.4447 -122.705 -68.4437 64.7177 GPRESSURE: 98600 226.179 252.556 -169.354 217.756 513.278 -59.4977 -244.793 -18.6481 40.3131 PRESSAVG: 98600 1.23664 1.89299 -9.09614 1.89306 -12.0783 15.4068 -9.09621 15.4068 13.752 GPRESSAVG: 98600 0.747613 0.461349 -10.8877 2.08177 -12.6303 16.7848 -9.3075 14.8896 14.8014 TIMING: 98600 CPU: 309.816, 0.00314993/step Wall: 309.816, 0.00314993/step, 4.28862 hours remaining, 228.855469 MB of memory in use. ENERGY: 98600 4042.7410 20603.6572 14454.3620 243.2527 -203470.0113 2729.0571 0.0000 0.0000 51889.8956 -109507.0456 298.2119 -161396.9412 -109152.7460 299.0942 232.4979 259.9234 759810.7248 0.9701 0.9729 PRESSURE: 98800 -225.784 -119.493 40.916 -119.492 -242.105 107.233 40.9163 107.234 -511.166 GPRESSURE: 98800 -274.243 -180.271 28.3187 -46.6771 -116.377 73.1803 28.5457 186.556 -502.068 PRESSAVG: 98800 18.1305 10.0923 35.0105 10.0924 -28.207 8.25381 35.0105 8.25386 -8.38999 GPRESSAVG: 98800 18.8228 11.243 36.712 10.3067 -28.0671 7.16773 33.3502 7.44776 -9.19297 TIMING: 98800 CPU: 310.448, 0.00316157/step Wall: 310.448, 0.00316157/step, 4.3043 hours remaining, 228.855469 MB of memory in use. ENERGY: 98800 3993.3638 20584.0073 14522.3318 242.8886 -203134.5043 2315.0010 0.0000 0.0000 51841.8558 -109635.0559 297.9359 -161476.9118 -109276.0394 298.3639 -326.3514 -297.5628 761867.3214 -6.1555 -6.1458 PRESSURE: 99000 -107.14 168.184 90.05 168.185 -25.4508 45.1404 90.0508 45.1403 91.1116 GPRESSURE: 99000 -151.864 223.733 114.559 154.93 44.3906 183.604 14.5097 -35.5222 151.845 PRESSAVG: 99000 -7.92189 -8.731 -33.3338 -8.73091 36.9208 28.2537 -33.3338 28.2536 2.83349 GPRESSAVG: 99000 -7.45715 -6.43635 -33.1231 -9.17348 37.2362 28.7793 -33.2381 27.831 1.59691 TIMING: 99000 CPU: 311.081, 0.00316305/step Wall: 311.081, 0.00316305/step, 4.30614 hours remaining, 228.855469 MB of memory in use. ENERGY: 99000 4100.9586 20487.0930 14523.0504 231.9763 -203789.0079 2745.8448 0.0000 0.0000 52128.6957 -109571.3891 299.5843 -161700.0848 -109208.1874 298.5685 -13.8263 14.7904 759388.6726 10.6108 10.4587 PRESSURE: 99200 241.847 -120.361 -197.294 -120.361 41.8783 139.171 -197.294 139.171 27.15 GPRESSURE: 99200 253.698 -122.644 -345.332 -114.889 58.1653 206.862 -101.903 225.961 85.0343 PRESSAVG: 99200 -27.1073 -33.3317 -36.1621 -33.3317 8.19267 -16.1274 -36.1621 -16.1273 -7.85029 GPRESSAVG: 99200 -27.5697 -35.4067 -36.6852 -34.9296 7.03649 -16.0329 -36.8665 -13.9688 -6.13538 TIMING: 99200 CPU: 311.715, 0.00317347/step Wall: 311.715, 0.00317347/step, 4.32016 hours remaining, 228.855469 MB of memory in use. ENERGY: 99200 3980.4836 20483.6644 14434.1191 256.3541 -203586.4230 2756.0069 0.0000 0.0000 51996.3458 -109679.4491 298.8237 -161675.7950 -109309.2944 298.9056 103.6251 132.2991 762099.9705 -8.9217 -8.8895 PRESSURE: 99400 -147.876 -235.687 -82.5435 -235.687 196.384 -29.856 -82.5432 -29.856 -40.2111 GPRESSURE: 99400 -129.317 -151.061 -76.5858 -105.544 219.682 -5.27748 -40.3386 -72.6056 4.04809 PRESSAVG: 99400 -38.4136 -3.20048 -3.21538 -3.20044 39.7602 39.9837 -3.21532 39.9836 -0.66552 GPRESSAVG: 99400 -37.4949 -3.15451 -4.01712 -2.19721 40.5591 38.6584 -1.12655 41.0096 -2.05908 TIMING: 99400 CPU: 312.347, 0.00315879/step Wall: 312.347, 0.00315879/step, 4.29999 hours remaining, 228.855469 MB of memory in use. ENERGY: 99400 3933.7542 20620.7706 14451.7879 240.0771 -203462.2013 2536.7394 0.0000 0.0000 51949.9334 -109729.1387 298.5570 -161679.0721 -109365.5568 298.5743 2.7656 31.4708 761734.3009 0.2270 0.3350 PRESSURE: 99600 87.5471 19.2603 174.505 19.2606 -73.6665 -76.3722 174.506 -76.3736 234.892 GPRESSURE: 99600 90.1908 60.8161 122.59 -34.12 29.0286 -114.898 190.65 -54.8524 217.262 PRESSAVG: 99600 -1.15262 12.4379 -3.7131 12.438 -9.00774 -20.5391 -3.71308 -20.5391 -22.5463 GPRESSAVG: 99600 -2.22564 12.0684 -4.94357 13.5194 -8.82424 -20.1589 -2.71157 -22.8591 -21.1945 TIMING: 99600 CPU: 312.976, 0.00314468/step Wall: 312.976, 0.00314468/step, 4.28061 hours remaining, 228.855469 MB of memory in use. ENERGY: 99600 3995.5784 20445.8596 14448.4392 238.8545 -203505.0033 2700.9075 0.0000 0.0000 52107.1095 -109568.2547 299.4603 -161675.3642 -109214.1822 298.9441 82.9242 112.1606 760036.1142 -10.9022 -10.7481 PRESSURE: 99800 -217.868 -78.3021 8.55647 -78.3024 -135.518 173.778 8.55587 173.778 -379.069 GPRESSURE: 99800 -180.058 -44.5174 -15.0841 -70.9998 -117.612 69.754 -84.832 -63.9152 -347.873 PRESSAVG: 99800 15.7782 46.4114 30.3652 46.4114 29.5756 -2.48244 30.3651 -2.48244 24.757 GPRESSAVG: 99800 17.0801 48.004 31.2015 43.341 29.5728 -4.07896 29.9268 -2.58926 23.1716 TIMING: 99800 CPU: 313.606, 0.00315041/step Wall: 313.606, 0.00315041/step, 4.28823 hours remaining, 228.855469 MB of memory in use. ENERGY: 99800 4005.7369 20530.9212 14447.3436 241.9423 -203374.2340 2782.6318 0.0000 0.0000 51904.3900 -109461.2681 298.2952 -161365.6580 -109112.3474 298.9458 -244.1517 -215.1810 761557.5833 23.3703 23.2748 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.016 seconds, 233.234 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, 234.449 MB of memory in use PRESSURE: 100000 8.2969 -59.7812 80.6909 -59.7815 141.711 -32.6119 80.6914 -32.6123 -224.641 GPRESSURE: 100000 93.2674 94.3785 42.794 -71.4009 89.7708 -67.1756 153.858 -58.0896 -195.121 PRESSAVG: 100000 -54.5084 -4.4469 25.8299 -4.44694 38.7238 -9.75805 25.83 -9.75798 -5.44619 GPRESSAVG: 100000 -53.8657 -3.5096 25.4319 -3.37881 37.5674 -9.01511 23.9184 -10.0784 -4.3391 TIMING: 100000 CPU: 314.267, 0.00330155/step Wall: 314.267, 0.00330155/step, 4.49377 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: 100000 3973.1486 20496.2916 14516.4229 258.0016 -203149.6126 2591.1640 0.0000 0.0000 51800.3934 -109514.1905 297.6976 -161314.5839 -109143.6292 298.4808 -24.8778 -4.0277 762921.6589 -7.0769 -6.8791 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 PRESSURE: 100200 110.537 151.984 193.958 151.984 252.095 9.14067 193.958 9.13957 154.222 GPRESSURE: 100200 41.8536 70.8005 151.045 152.499 371.05 64.6592 141.297 42.6597 180.468 PRESSAVG: 100200 -14.1762 -7.1266 37.96 -7.12659 11.6748 31.9082 37.96 31.9082 -20.8918 GPRESSAVG: 100200 -15.6618 -10.0146 39.4347 -4.01511 11.477 30.824 36.9645 32.2192 -19.5879 TIMING: 100200 CPU: 314.901, 0.00317251/step Wall: 314.901, 0.00317251/step, 4.31796 hours remaining, 234.453125 MB of memory in use. ENERGY: 100200 4034.2207 20492.5070 14456.1515 255.3450 -203113.9108 2499.5891 0.0000 0.0000 52138.9660 -109237.1313 299.6434 -161376.0974 -108876.9828 298.7276 172.2846 197.7906 762767.5779 -7.7977 -7.9242 LDB: ============= START OF LOAD BALANCING ============== 327.353 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 327.354 LDB: =============== DONE WITH MIGRATION ================ 327.355 LDB: ============= START OF LOAD BALANCING ============== 327.672 LDB: Largest compute 7076 load 0.035990 is 18.5% of average load 0.194597 LDB: Average compute 0.004407 is 2.3% of average load 0.194597 LDB: TIME 327.676 LOAD: AVG 0.194597 MAX 0.21435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.48 MB LDB: TIME 327.676 LOAD: AVG 0.194597 MAX 0.21435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.684 MB LDB: TIME 327.676 LOAD: AVG 0.194597 MAX 0.21435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.684 MB LDB: ============== END OF LOAD BALANCING =============== 327.678 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 327.683 PRESSURE: 100400 -122.968 103.291 21.7185 103.292 -46.8381 -117.6 21.7172 -117.6 66.2212 GPRESSURE: 100400 -104.476 -37.6153 58.0442 151.543 -24.1045 -201.361 147.126 14.9377 118.991 PRESSAVG: 100400 -13.7058 -31.7856 -30.3883 -31.7856 42.4829 42.5171 -30.3882 42.5171 2.55026 GPRESSAVG: 100400 -13.4569 -30.0685 -32.708 -33.6028 44.1995 43.9075 -28.6053 43.5442 0.994274 TIMING: 100400 CPU: 315.547, 0.00323149/step Wall: 315.547, 0.00323149/step, 4.39805 hours remaining, 234.988281 MB of memory in use. ENERGY: 100400 3968.7069 20565.5584 14467.6498 258.0990 -202823.1962 2397.3717 0.0000 0.0000 51868.8404 -109296.9699 298.0909 -161165.8104 -108941.6696 298.9912 -34.5284 -3.1965 762848.4882 10.4424 10.5790 PRESSURE: 100600 -133.896 55.6765 83.7683 55.6768 -20.6351 66.2345 83.7674 66.235 -95.3382 GPRESSURE: 100600 -129.387 49.5673 129.541 77.7376 -28.983 43.6386 105.833 84.7721 18.6221 PRESSAVG: 100600 -2.46301 -37.0564 16.848 -37.0565 14.5244 62.101 16.848 62.101 -0.880485 GPRESSAVG: 100600 -2.68992 -38.9142 17.2186 -35.724 14.6157 60.9799 18.9823 62.4266 -0.624701 TIMING: 100600 CPU: 316.183, 0.00317927/step Wall: 316.183, 0.00317927/step, 4.32681 hours remaining, 234.988281 MB of memory in use. ENERGY: 100600 4044.3755 20495.4407 14437.6137 262.8583 -203226.0728 2861.7724 0.0000 0.0000 51948.2503 -109175.7620 298.5473 -161124.0122 -108810.4330 299.4676 -83.2896 -46.5828 763937.5378 3.7270 3.7670 PRESSURE: 100800 -487.486 16.3845 -68.8653 16.3856 53.9731 72.532 -68.8646 72.5318 2.61494 GPRESSURE: 100800 -390.566 101.497 -68.0576 0.269736 37.4392 95.1309 -85.7257 52.5251 20.2765 PRESSAVG: 100800 -25.3594 -29.7625 -20.1223 -29.7625 34.4741 30.2145 -20.1223 30.2145 -0.693815 GPRESSAVG: 100800 -25.6514 -27.9 -19.8707 -32.3508 34.4069 31.0029 -23.6784 28.403 -0.0173167 TIMING: 100800 CPU: 316.818, 0.00317581/step Wall: 316.818, 0.00317581/step, 4.32192 hours remaining, 234.988281 MB of memory in use. ENERGY: 100800 3971.1444 20334.2600 14508.5728 247.0337 -202930.7525 2652.7517 0.0000 0.0000 52011.8541 -109205.1359 298.9128 -161216.9900 -108844.1325 299.0726 -143.6327 -110.9501 765493.1652 2.8070 2.9127 PRESSURE: 101000 63.8921 -47.1201 128.51 -47.1202 -256.307 -52.6763 128.51 -52.6771 10.4611 GPRESSURE: 101000 26.147 -12.39 85.4457 -33.101 -137.148 -71.691 46.0021 -75.3756 14.673 PRESSAVG: 101000 22.504 -54.2092 -25.4489 -54.2092 -14.3257 15.6025 -25.4489 15.6024 -20.8819 GPRESSAVG: 101000 23.1762 -55.2558 -27.371 -54.1694 -13.8906 15.4412 -22.4562 16.9773 -21.8883 TIMING: 101000 CPU: 317.452, 0.00316837/step Wall: 317.452, 0.00316837/step, 4.31162 hours remaining, 234.988281 MB of memory in use. ENERGY: 101000 4015.3814 20363.3468 14466.7333 251.8642 -203390.8157 2779.8157 0.0000 0.0000 52200.5504 -109313.1239 299.9973 -161513.6743 -108954.7480 298.9051 -60.6511 -32.1092 764496.3886 -4.2345 -4.2009 PRESSURE: 101200 -75.8347 73.4828 -5.19358 73.4831 86.1965 99.488 -5.19382 99.4885 -289.394 GPRESSURE: 101200 -53.7122 122.024 -22.7478 -5.19634 94.3172 125.426 -64.1044 27.6 -241.021 PRESSAVG: 101200 -8.83227 35.1825 -15.7324 35.1824 3.47557 32.5085 -15.7325 32.5085 0.294378 GPRESSAVG: 101200 -8.41469 33.4225 -14.0576 35.9659 2.92535 32.2196 -16.4301 33.5594 0.183574 TIMING: 101200 CPU: 318.085, 0.00316358/step Wall: 318.085, 0.00316358/step, 4.30494 hours remaining, 234.988281 MB of memory in use. ENERGY: 101200 4047.6140 20488.3672 14452.0520 264.7390 -203360.3387 2783.2649 0.0000 0.0000 51839.7559 -109484.5457 297.9238 -161324.3016 -109128.8978 298.8913 -93.0107 -66.8055 763280.7020 -1.6874 -1.7686 PRESSURE: 101400 175.4 -192.633 -90.5284 -192.634 110.546 108.379 -90.529 108.381 -98.5551 GPRESSURE: 101400 189.957 -183.932 -153.683 -114.948 92.9926 100.702 28.6045 29.3011 11.1729 PRESSAVG: 101400 6.39762 -32.7758 -13.7936 -32.7759 -10.9692 -41.312 -13.7936 -41.312 20.5704 GPRESSAVG: 101400 6.33617 -31.407 -14.1219 -34.8377 -10.0838 -40.714 -15.7806 -44.7181 20.7657 TIMING: 101400 CPU: 318.721, 0.00318249/step Wall: 318.721, 0.00318249/step, 4.33049 hours remaining, 234.988281 MB of memory in use. ENERGY: 101400 3945.0668 20483.1739 14409.5201 234.7445 -203123.1715 2589.3476 0.0000 0.0000 51839.6239 -109621.6949 297.9230 -161461.3187 -109263.9643 298.6205 62.4636 98.0409 761949.9938 5.3330 5.6727 PRESSURE: 101600 -167.26 174.657 64.7954 174.656 152.245 2.34109 64.7956 2.34058 165.599 GPRESSURE: 101600 -84.7326 109.469 96.8333 213.987 123.507 -16.9778 121.144 62.0944 179.047 PRESSAVG: 101600 12.2797 -6.32095 22.469 -6.32091 -13.8547 -36.4442 22.4691 -36.4443 -9.05317 GPRESSAVG: 101600 13.0921 -6.41844 21.8754 -3.10344 -14.3032 -35.7173 23.2205 -34.8356 -9.53034 TIMING: 101600 CPU: 319.353, 0.00315988/step Wall: 319.353, 0.00315988/step, 4.29954 hours remaining, 234.988281 MB of memory in use. ENERGY: 101600 3938.0250 20359.6576 14423.0380 236.4302 -203342.5188 2468.9311 0.0000 0.0000 52124.3762 -109792.0607 299.5595 -161916.4369 -109427.8093 298.1214 50.1947 72.6071 759962.3028 -3.5427 -3.5805 PRESSURE: 101800 296.306 -12.3731 4.37639 -12.3726 170.134 -71.155 4.37522 -71.1552 497.028 GPRESSURE: 101800 297.042 -17.1201 63.2403 -36.6777 235.033 -70.342 6.31076 41.7288 538.821 PRESSAVG: 101800 -31.1649 -12.2453 4.8997 -12.2453 4.20972 -22.7305 4.89971 -22.7305 15.1985 GPRESSAVG: 101800 -30.4273 -9.74489 5.97671 -13.1385 4.36909 -24.6 4.51077 -22.5629 14.5577 TIMING: 101800 CPU: 319.987, 0.00316725/step Wall: 319.987, 0.00316725/step, 4.3094 hours remaining, 234.988281 MB of memory in use. ENERGY: 101800 3938.2346 20549.6700 14479.0394 238.0910 -203561.8235 2534.4055 0.0000 0.0000 52010.7370 -109811.6461 298.9064 -161822.3830 -109457.1628 298.2702 321.1560 356.9655 759010.5952 -3.9189 -3.8335 PRESSURE: 102000 -22.6401 -27.1908 -183.396 -27.1906 -269.87 -76.2 -183.395 -76.1997 -216.864 GPRESSURE: 102000 -80.7152 -52.3401 -290.543 -58.9652 -147.441 -121.372 -150.4 -63.0116 -208.846 PRESSAVG: 102000 112.544 3.38082 -21.2724 3.38089 -21.0932 -10.4136 -21.2724 -10.4136 -12.5896 GPRESSAVG: 102000 110.147 1.05091 -22.7329 4.35831 -20.6813 -9.8397 -21.5036 -11.2964 -11.01 TIMING: 102000 CPU: 320.617, 0.00315344/step Wall: 320.617, 0.00315344/step, 4.29043 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 102000 3938.6396 20536.7628 14403.9265 250.8633 -202983.7660 2162.0854 0.0000 0.0000 52045.8805 -109645.6081 299.1084 -161691.4886 -109274.1133 298.7097 -169.7912 -145.6674 761467.5922 26.2871 26.1520 PRESSURE: 102200 -250.528 106.803 71.7084 106.804 -48.0521 -121.939 71.7079 -121.938 -222.21 GPRESSURE: 102200 -289.917 102.566 201.5 172.044 35.6228 -162.532 51.7327 -36.2998 -181.658 PRESSAVG: 102200 50.5664 -26.2221 -9.66592 -26.2222 -55.5433 6.91672 -9.66593 6.91662 -10.2804 GPRESSAVG: 102200 51.9491 -25.7775 -7.40554 -26.9489 -57.1733 7.57251 -10.5244 7.53354 -9.85391 TIMING: 102200 CPU: 321.245, 0.00313868/step Wall: 321.245, 0.00313868/step, 4.27017 hours remaining, 234.988281 MB of memory in use. ENERGY: 102200 3925.9345 20508.9050 14453.1960 248.4110 -203030.8645 2386.8145 0.0000 0.0000 51935.7733 -109571.8302 298.4756 -161507.6035 -109203.2428 298.4612 -173.5967 -145.3175 763192.3091 -5.0858 -5.0260 PRESSURE: 102400 -216.52 298.139 38.3154 298.139 -321.346 18.1774 38.3148 18.1757 22.5186 GPRESSURE: 102400 -161.387 291.316 40.2044 185.725 -262.86 25.8488 -60.8316 -82.1806 -5.55782 PRESSAVG: 102400 -11.1742 -21.2922 37.811 -21.2922 6.82157 4.23715 37.8111 4.23715 -15.3317 GPRESSAVG: 102400 -10.5623 -21.6976 36.3843 -21.0007 8.12161 3.4396 38.86 4.21717 -16.9267 TIMING: 102400 CPU: 321.873, 0.0031386/step Wall: 321.873, 0.0031386/step, 4.26989 hours remaining, 234.988281 MB of memory in use. ENERGY: 102400 4018.2637 20279.8885 14473.1151 246.7619 -203311.4266 2470.8510 0.0000 0.0000 52176.4637 -109646.0827 299.8589 -161822.5464 -109280.4542 298.5823 -171.7827 -143.2682 762563.5941 -6.5615 -6.4558 PRESSURE: 102600 -323.702 73.1363 -290.166 73.1368 -179.256 266.271 -290.165 266.271 -743.746 GPRESSURE: 102600 -315.763 22.9223 -330.085 104.006 -207.822 255.053 -169.787 325.868 -624.781 PRESSAVG: 102600 -41.7864 -9.35488 22.298 -9.35484 22.631 18.4382 22.2979 18.4382 -5.0409 GPRESSAVG: 102600 -41.6623 -8.63119 22.1913 -9.7631 22.4625 17.8254 22.146 18.1105 -4.81662 TIMING: 102600 CPU: 322.5, 0.00313486/step Wall: 322.5, 0.00313486/step, 4.26462 hours remaining, 234.988281 MB of memory in use. ENERGY: 102600 4007.2196 20373.0640 14464.9505 251.3050 -203032.8203 2240.9923 0.0000 0.0000 52060.8850 -109634.4040 299.1946 -161695.2890 -109265.9801 298.9551 -415.5682 -382.7884 763433.2345 -8.0654 -8.0055 PRESSURE: 102800 -156.826 81.0264 39.9988 81.0264 146.546 -14.8732 39.9997 -14.8737 105.349 GPRESSURE: 102800 -123.1 -37.2853 2.93831 9.37374 210.872 34.3279 39.9649 -35.1263 92.1782 PRESSAVG: 102800 -6.45174 7.26179 27.7126 7.26184 -17.7553 53.7385 27.7126 53.7385 21.6156 GPRESSAVG: 102800 -8.96714 6.57755 30.0941 7.43259 -15.7598 54.2898 28.1119 53.8171 21.8807 TIMING: 102800 CPU: 323.132, 0.003163/step Wall: 323.132, 0.003163/step, 4.30273 hours remaining, 234.988281 MB of memory in use. ENERGY: 102800 4016.5288 20503.1207 14535.8778 241.8475 -203371.6581 2495.2259 0.0000 0.0000 52190.1590 -109388.8985 299.9376 -161579.0575 -109026.2634 298.9585 31.6898 59.9834 760597.7205 -0.8638 -0.9487 PRESSURE: 103000 -252.389 61.0895 87.6063 61.0888 -124.495 -100.47 87.6063 -100.47 53.1431 GPRESSURE: 103000 -228.903 10.0401 88.7844 92.0971 1.55642 -154.184 101.102 -140.12 -16.488 PRESSAVG: 103000 -10.7112 -25.1587 -0.827564 -25.1588 -16.6614 26.3693 -0.827517 26.3694 -6.61696 GPRESSAVG: 103000 -9.32361 -26.5087 -0.164639 -22.882 -18.1988 28.13 -1.61724 24.3133 -6.95931 TIMING: 103000 CPU: 323.766, 0.00316895/step Wall: 323.766, 0.00316895/step, 4.31065 hours remaining, 234.988281 MB of memory in use. ENERGY: 103000 3974.3549 20493.3652 14477.4834 246.0983 -203126.4312 2428.6080 0.0000 0.0000 52317.8871 -109188.6344 300.6716 -161506.5215 -108829.4658 299.7480 -107.9136 -81.2780 759584.3938 -11.3298 -11.4939 PRESSURE: 103200 138.915 -19.747 -110.783 -19.7478 -103.539 96.5018 -110.783 96.5018 -197.481 GPRESSURE: 103200 128.293 -82.6444 -30.617 -47.0531 -27.3227 133.667 -112.145 115.187 -168.952 PRESSAVG: 103200 -34.4174 -7.38703 11.0157 -7.38702 36.6117 -7.64726 11.0158 -7.64724 5.69289 GPRESSAVG: 103200 -36.0031 -7.45505 8.8838 -10.1832 39.1299 -9.20978 10.0256 -6.60873 5.78568 TIMING: 103200 CPU: 324.398, 0.00316069/step Wall: 324.398, 0.00316069/step, 4.29924 hours remaining, 234.988281 MB of memory in use. ENERGY: 103200 3975.9963 20558.5252 14514.8409 253.1137 -202943.0297 2348.6528 0.0000 0.0000 52077.2705 -109214.6302 299.2888 -161291.9007 -108854.5561 299.6289 -54.0352 -22.6604 761540.6283 2.6291 2.9708 PRESSURE: 103400 -86.9928 -152.065 255.932 -152.065 187.552 -78.8375 255.932 -78.838 7.50328 GPRESSURE: 103400 -67.0216 -161.507 256.984 -181.516 138.499 -61.9796 308.611 -48.2108 120.738 PRESSAVG: 103400 -21.5757 -46.8439 36.9085 -46.8439 29.7199 -30.3282 36.9085 -30.3283 3.57388 GPRESSAVG: 103400 -20.5711 -46.009 37.1018 -46.602 26.9783 -31.8411 38.0742 -28.9616 5.02615 TIMING: 103400 CPU: 325.033, 0.00317479/step Wall: 325.033, 0.00317479/step, 4.31825 hours remaining, 234.988281 MB of memory in use. ENERGY: 103400 4106.7692 20734.3899 14516.1451 252.2023 -203732.7099 2573.1152 0.0000 0.0000 52303.1469 -109246.9413 300.5869 -161550.0882 -108892.1888 299.9734 36.0209 64.0718 759678.0492 3.9060 3.8111 PRESSURE: 103600 -2.81474 43.6993 -63.8098 43.699 88.6805 -61.4249 -63.8091 -61.4263 -39.8593 GPRESSURE: 103600 -29.0744 70.188 -112.664 183.46 148.891 -46.8571 -162.093 -35.3924 5.73111 PRESSAVG: 103600 3.74572 -25.5177 7.37658 -25.5177 22.3273 -33.3385 7.37656 -33.3385 11.6389 GPRESSAVG: 103600 2.99872 -25.2313 6.80579 -25.1347 24.2554 -31.6957 7.95475 -35.6348 10.2568 TIMING: 103600 CPU: 325.663, 0.00314927/step Wall: 325.663, 0.00314927/step, 4.28335 hours remaining, 234.988281 MB of memory in use. ENERGY: 103600 4054.8333 20501.7719 14529.8726 247.8434 -203181.7692 2681.4252 0.0000 0.0000 51867.5007 -109298.5221 298.0832 -161166.0229 -108944.0659 299.6926 15.3355 41.8491 761244.1393 12.5706 12.5036 PRESSURE: 103800 -195.424 -18.6112 59.8315 -18.6109 68.5396 -243.108 59.8312 -243.109 392.583 GPRESSURE: 103800 -102.994 51.248 38.0572 15.1172 99.3652 -182.664 138.413 -132.479 374.999 PRESSAVG: 103800 -32.2407 -8.49292 13.7581 -8.49302 33.1404 -6.58448 13.758 -6.58455 -18.2679 GPRESSAVG: 103800 -31.1343 -7.74248 14.055 -8.34617 32.2645 -6.39954 15.0865 -4.42711 -18.4323 TIMING: 103800 CPU: 326.29, 0.00313532/step Wall: 326.29, 0.00313532/step, 4.2642 hours remaining, 234.988281 MB of memory in use. ENERGY: 103800 4008.5004 20470.9014 14590.9135 264.8683 -203207.4501 2622.3431 0.0000 0.0000 52077.2261 -109172.6974 299.2885 -161249.9235 -108799.7825 299.4860 88.5664 123.7903 759361.6344 -5.7894 -5.7674 PRESSURE: 104000 404.336 76.6025 1.75798 76.6025 172.245 316.335 1.75707 316.335 412.219 GPRESSURE: 104000 308.533 95.85 73.0587 187.839 244.02 242.725 -150.169 279.835 500.101 PRESSAVG: 104000 -27.0687 15.2612 21.2116 15.2611 52.709 -19.5406 21.2116 -19.5406 -12.2162 GPRESSAVG: 104000 -27.8627 12.6575 20.1486 15.2979 53.1929 -19.8828 20.0846 -20.6662 -11.897 TIMING: 104000 CPU: 326.922, 0.00315746/step Wall: 326.922, 0.00315746/step, 4.29415 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 104000 3947.4373 20561.1660 14590.3585 252.2630 -203557.0151 2860.9426 0.0000 0.0000 52353.0960 -108991.7517 300.8740 -161344.8477 -108624.3820 299.7452 329.5999 350.8848 759991.4353 4.4747 4.4777 PRESSURE: 104200 -238.337 -28.9583 -265.411 -28.9581 -41.9798 16.091 -265.41 16.0918 120.243 GPRESSURE: 104200 -174.564 -31.7217 -225.065 -86.7584 -74.7967 -109.647 -176.037 36.3973 178.052 PRESSAVG: 104200 -4.45682 30.842 -16.227 30.842 -8.28281 3.48178 -16.227 3.48178 -13.2948 GPRESSAVG: 104200 -4.18798 33.049 -13.9875 29.0658 -8.4664 3.70286 -16.6081 3.80088 -13.1057 TIMING: 104200 CPU: 327.56, 0.00319325/step Wall: 327.56, 0.00319325/step, 4.34265 hours remaining, 234.988281 MB of memory in use. ENERGY: 104200 3969.1636 20617.9249 14516.5850 271.7419 -202690.1845 2053.2404 0.0000 0.0000 52147.9981 -109113.5305 299.6953 -161261.5286 -108750.8022 299.9583 -53.3582 -23.7697 762438.5666 -8.6782 -8.5867 LDB: ============= START OF LOAD BALANCING ============== 340.016 LDB: ============== END OF LOAD BALANCING =============== 340.016 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 340.018 LDB: ============= START OF LOAD BALANCING ============== 340.335 LDB: Largest compute 7076 load 0.036192 is 18.6% of average load 0.194642 LDB: Average compute 0.004393 is 2.3% of average load 0.194642 LDB: TIME 340.339 LOAD: AVG 0.194642 MAX 0.216298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.988 MB LDB: TIME 340.339 LOAD: AVG 0.194642 MAX 0.216298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: TIME 340.339 LOAD: AVG 0.194642 MAX 0.216298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: ============== END OF LOAD BALANCING =============== 340.341 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 340.346 PRESSURE: 104400 -212.5 39.8936 20.8121 39.8926 478.827 -60.7944 20.8128 -60.7951 -45.0767 GPRESSURE: 104400 -168.67 71.5002 -17.1633 36.4164 497.758 5.11706 -102.988 17.6303 -45.9414 PRESSAVG: 104400 -45.9799 12.1183 -33.9508 12.1184 58.9813 47.9361 -33.9508 47.9361 -20.9098 GPRESSAVG: 104400 -46.5411 12.6772 -33.7357 11.5559 59.2662 47.1764 -34.7535 46.7174 -20.8441 TIMING: 104400 CPU: 328.21, 0.00324863/step Wall: 328.21, 0.00324863/step, 4.41778 hours remaining, 234.988281 MB of memory in use. ENERGY: 104400 3972.6054 20577.6583 14490.5449 248.6631 -203351.4318 2808.3918 0.0000 0.0000 52073.8018 -109179.7664 299.2689 -161253.5683 -108815.6277 299.9487 73.7499 94.3823 763583.4497 -2.6361 -2.7064 PRESSURE: 104600 -52.705 80.317 -86.4366 80.3179 -83.1824 -90.3634 -86.4361 -90.364 -112.115 GPRESSURE: 104600 -24.5996 101.128 -69.7864 56.8897 -116.606 -137.42 -108.842 -39.2932 -12.0955 PRESSAVG: 104600 -55.9749 0.446884 14.5275 0.446924 72.3513 4.72611 14.5275 4.7262 7.1915 GPRESSAVG: 104600 -54.7557 -2.11107 14.6829 0.854486 71.698 4.85148 14.9367 5.79605 6.60213 TIMING: 104600 CPU: 328.844, 0.00317211/step Wall: 328.844, 0.00317211/step, 4.31353 hours remaining, 234.988281 MB of memory in use. ENERGY: 104600 4001.0388 20605.8123 14514.8975 230.3799 -203405.5458 2721.7084 0.0000 0.0000 52121.9170 -109209.7919 299.5454 -161331.7089 -108852.1977 299.6265 -82.6676 -51.1005 764089.6416 7.8560 7.8481 PRESSURE: 104800 -160.364 220.535 219.453 220.534 160.404 118.928 219.452 118.927 433.975 GPRESSURE: 104800 -123.112 103.858 272.15 178.768 228.143 102.636 123.734 52.4856 403.016 PRESSAVG: 104800 -45.6186 8.49623 34.4238 8.4962 45.8265 -41.7934 34.4239 -41.7934 4.6207 GPRESSAVG: 104800 -46.2462 9.53771 33.3833 8.92898 47.3168 -41.777 34.7335 -41.4459 4.35281 TIMING: 104800 CPU: 329.478, 0.00316592/step Wall: 329.478, 0.00316592/step, 4.30495 hours remaining, 234.988281 MB of memory in use. ENERGY: 104800 3986.4566 20581.4387 14539.6676 233.2716 -203042.9858 2611.3660 0.0000 0.0000 51932.6787 -109158.1066 298.4578 -161090.7853 -108799.5330 299.7096 144.6717 169.3490 763107.3042 1.6095 1.8078 PRESSURE: 105000 59.9129 -5.12973 17.3065 -5.12895 157.701 38.4091 17.3065 38.4093 86.321 GPRESSURE: 105000 172.935 6.98245 -1.74206 -49.1904 94.9381 3.1818 38.8841 138.683 115.907 PRESSAVG: 105000 -22.814 -26.9441 48.8188 -26.9442 22.8949 -30.6601 48.8188 -30.6601 -10.7755 GPRESSAVG: 105000 -23.2788 -25.0256 50.4208 -25.9053 22.4375 -30.8428 50.2961 -32.5408 -9.84521 TIMING: 105000 CPU: 330.112, 0.0031737/step Wall: 330.112, 0.0031737/step, 4.31535 hours remaining, 234.988281 MB of memory in use. ENERGY: 105000 4006.1352 20503.3921 14500.9324 257.9227 -203401.0099 2886.5087 0.0000 0.0000 52109.1982 -109136.9205 299.4723 -161246.1187 -108781.2666 299.8252 101.3117 127.9269 762056.8503 -3.5649 -3.5622 PRESSURE: 105200 47.3801 -270.71 149.076 -270.71 -43.9582 29.882 149.075 29.882 261.373 GPRESSURE: 105200 100.132 -261.129 149.976 -149.186 21.9656 59.4795 51.3706 7.79751 233.167 PRESSAVG: 105200 -41.8893 28.8789 15.2233 28.8789 59.1719 -27.6595 15.2233 -27.6594 -26.1562 GPRESSAVG: 105200 -41.2441 28.1975 14.6119 28.2021 59.5548 -26.6123 13.6757 -25.5312 -27.02 TIMING: 105200 CPU: 330.75, 0.00318826/step Wall: 330.75, 0.00318826/step, 4.33497 hours remaining, 234.988281 MB of memory in use. ENERGY: 105200 4037.0832 20356.5639 14449.7975 243.3867 -203418.2173 2787.2465 0.0000 0.0000 52271.6465 -109272.4930 300.4059 -161544.1395 -108904.5630 299.7203 88.2648 118.4214 761938.0025 -2.9579 -2.9031 PRESSURE: 105400 -132.863 25.1541 -173.581 25.1552 -106.682 -175.351 -173.58 -175.35 -64.8431 GPRESSURE: 105400 -188.538 87.8279 -128.825 88.4706 -26.7425 -166.01 -178.065 -203.264 -1.51901 PRESSAVG: 105400 -55.1971 69.1847 -73.7332 69.1846 40.8523 9.88757 -73.7332 9.88754 -0.960431 GPRESSAVG: 105400 -54.7718 69.1115 -74.0189 68.6056 39.6882 9.54994 -73.8132 10.0981 -0.223061 TIMING: 105400 CPU: 331.386, 0.00317834/step Wall: 331.386, 0.00317834/step, 4.3213 hours remaining, 234.988281 MB of memory in use. ENERGY: 105400 3960.2613 20643.6993 14475.3790 258.3676 -203235.4922 2597.7424 0.0000 0.0000 51972.7873 -109327.2552 298.6883 -161300.0425 -108970.2586 299.0323 -101.4628 -72.2663 763134.0270 -5.1017 -5.1022 PRESSURE: 105600 -209.748 104.855 33.5774 104.854 54.6652 -36.3388 33.5768 -36.3404 385.722 GPRESSURE: 105600 -116.434 155.974 -40.6157 -81.0368 67.1146 -43.7756 -83.3669 34.1629 387.461 PRESSAVG: 105600 -91.0622 -5.00575 -67.3247 -5.00579 79.6016 -24.7682 -67.3247 -24.7682 7.27969 GPRESSAVG: 105600 -93.0458 -5.22479 -67.6183 -6.13051 80.2139 -23.5906 -68.0156 -25.7589 8.52327 TIMING: 105600 CPU: 332.019, 0.00316482/step Wall: 332.019, 0.00316482/step, 4.30275 hours remaining, 234.988281 MB of memory in use. ENERGY: 105600 4050.8038 20574.5457 14399.7993 228.8869 -203213.4156 2519.7241 0.0000 0.0000 52142.8737 -109296.7822 299.6658 -161439.6559 -108935.1193 299.1340 76.8797 112.7139 763638.5266 -1.3936 -1.4362 PRESSURE: 105800 -34.636 -244.706 168.006 -244.706 -21.8576 41.0561 168.006 41.0569 430.377 GPRESSURE: 105800 62.9881 -262.257 222.163 -175.477 -8.78946 72.4421 104.072 -92.1301 388.653 PRESSAVG: 105800 -91.4033 9.06096 28.2891 9.06096 57.1938 38.7006 28.2891 38.7007 7.65128 GPRESSAVG: 105800 -90.1549 11.0124 25.7919 9.72789 57.4895 37.5932 29.5857 37.5004 6.33078 TIMING: 105800 CPU: 332.648, 0.0031479/step Wall: 332.648, 0.0031479/step, 4.27957 hours remaining, 234.988281 MB of memory in use. ENERGY: 105800 3966.8222 20463.1274 14452.0521 247.7940 -203282.3610 3016.3503 0.0000 0.0000 51966.3603 -109169.8547 298.6514 -161136.2150 -108812.1090 299.1117 124.6277 147.6173 764173.7425 -8.8527 -8.7782 PRESSURE: 106000 88.87 -46.3993 21.6649 -46.3999 18.4617 -53.6838 21.6656 -53.6847 172.829 GPRESSURE: 106000 110.105 5.83723 95.4888 -48.8334 14.9523 1.15348 -70.529 -48.4644 224.752 PRESSAVG: 106000 -9.93835 -44.3418 -8.59047 -44.3418 45.8168 -1.1436 -8.59044 -1.14355 6.51209 GPRESSAVG: 106000 -8.49905 -45.5962 -5.03608 -42.6021 44.104 -0.453605 -10.5369 -0.114617 6.76793 TIMING: 106000 CPU: 333.284, 0.00317748/step Wall: 333.284, 0.00317748/step, 4.3196 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 106000 3912.3764 20583.5462 14457.4509 243.1448 -203267.9390 2742.9092 0.0000 0.0000 52086.0100 -109242.5015 299.3390 -161328.5115 -108881.7378 299.6763 93.3869 116.6031 763961.9930 14.1302 14.1243 PRESSURE: 106200 55.9247 71.9501 -70.3198 71.95 74.343 31.7152 -70.3202 31.7156 -20.6815 GPRESSURE: 106200 103.665 -66.6848 -59.0876 4.30279 80.772 74.5611 -36.8258 23.645 -2.92838 PRESSAVG: 106200 -44.0235 -14.0746 -10.9893 -14.0746 27.036 6.63512 -10.9893 6.63504 -6.20197 GPRESSAVG: 106200 -45.8914 -14.1124 -11.2934 -15.3286 28.0839 4.61977 -9.36166 7.90912 -5.14666 TIMING: 106200 CPU: 333.913, 0.00314773/step Wall: 333.913, 0.00314773/step, 4.27899 hours remaining, 234.988281 MB of memory in use. ENERGY: 106200 3942.1331 20276.2156 14477.1482 254.4718 -203125.5021 2718.8341 0.0000 0.0000 52147.6632 -109309.0361 299.6933 -161456.6993 -108943.1762 299.5720 36.5287 60.5027 763836.3143 -7.7298 -7.6514 PRESSURE: 106400 -16.3848 -5.49495 5.37941 -5.49538 120.231 -108.044 5.37928 -108.044 -70.0158 GPRESSURE: 106400 103.327 71.0819 50.3292 158.155 79.3969 -195.469 14.3609 -60.7763 -55.9682 PRESSAVG: 106400 -49.362 -27.1935 42.8533 -27.1935 40.5197 -1.87603 42.8534 -1.87605 1.07062 GPRESSAVG: 106400 -47.7948 -28.5743 41.7662 -24.675 40.2002 -0.769947 43.9355 -3.09355 -0.219804 TIMING: 106400 CPU: 334.541, 0.00313972/step Wall: 334.541, 0.00313972/step, 4.26792 hours remaining, 234.988281 MB of memory in use. ENERGY: 106400 3902.2373 20435.2368 14522.6687 248.4182 -203147.5142 2428.6434 0.0000 0.0000 52163.1307 -109447.1792 299.7822 -161610.3100 -109090.0866 299.0104 11.2769 42.2518 762487.2928 -2.5906 -2.6048 PRESSURE: 106600 169.049 -282.539 -48.0163 -282.539 595.585 45.0542 -48.0168 45.0542 311.771 GPRESSURE: 106600 228.317 -175.623 -1.74506 -237.782 657.337 24.5789 -196.238 72.1639 273.352 PRESSAVG: 106600 -79.8601 -16.9019 25.8396 -16.9019 69.2903 49.0914 25.8396 49.0914 5.11063 GPRESSAVG: 106600 -80.4066 -13.6043 23.5656 -19.048 68.8848 48.9644 26.177 49.6066 5.6875 TIMING: 106600 CPU: 335.174, 0.00316541/step Wall: 335.174, 0.00316541/step, 4.30267 hours remaining, 234.988281 MB of memory in use. ENERGY: 106600 3952.1138 20566.0719 14391.8517 253.2932 -203483.9130 3042.7260 0.0000 0.0000 51854.6785 -109423.1779 298.0096 -161277.8564 -109068.8789 298.9004 358.8017 386.3354 762513.3531 -1.8197 -1.9448 PRESSURE: 106800 -281.311 165.71 107.616 165.71 -212.297 -166.321 107.617 -166.322 -139.438 GPRESSURE: 106800 -154.336 196.002 86.7458 153.596 -257.64 -177.765 165.452 -114.988 -160.129 PRESSAVG: 106800 12.1545 -43.347 -17.2237 -43.347 5.16842 -53.0925 -17.2237 -53.0924 27.6546 GPRESSAVG: 106800 12.2194 -46.24 -16.017 -42.6369 5.522 -52.5537 -16.5058 -52.9967 27.2744 TIMING: 106800 CPU: 335.807, 0.00316109/step Wall: 335.807, 0.00316109/step, 4.29663 hours remaining, 234.988281 MB of memory in use. ENERGY: 106800 4019.2005 20382.0442 14491.1855 256.8475 -203009.8224 2556.6181 0.0000 0.0000 52016.9001 -109287.0266 298.9418 -161303.9266 -108929.5877 298.8036 -211.0150 -190.7015 764262.3054 14.9925 15.0053 PRESSURE: 107000 77.6624 129.397 -61.8425 129.397 -317 103.593 -61.843 103.594 75.3101 GPRESSURE: 107000 -61.8152 150.343 -25.6204 113.986 -80.5011 95.4492 -98.707 -46.5909 56.0776 PRESSAVG: 107000 -32.7692 -5.8214 -42.3165 -5.82139 1.37711 25.6939 -42.3165 25.6939 -4.32342 GPRESSAVG: 107000 -32.3486 -4.3711 -40.8695 -6.11214 1.6676 25.7238 -44.3686 24.2431 -5.23161 TIMING: 107000 CPU: 336.442, 0.00317507/step Wall: 336.442, 0.00317507/step, 4.31545 hours remaining, 234.988281 MB of memory in use. ENERGY: 107000 3938.7136 20597.1078 14523.2405 245.5176 -203026.7442 2586.0459 0.0000 0.0000 52111.2701 -109024.8486 299.4842 -161136.1187 -108665.3058 299.3175 -54.6759 -28.7463 763350.2703 -11.9052 -11.9709 PRESSURE: 107200 -377.77 32.5277 102.098 32.528 -356.315 -158.425 102.099 -158.425 -526.575 GPRESSURE: 107200 -370.43 -3.39236 196.506 41.0082 -252.18 -156.104 -12.4149 -174.53 -554.173 PRESSAVG: 107200 29.3437 1.60132 -23.905 1.60135 19.9123 7.58489 -23.905 7.58487 -3.57492 GPRESSAVG: 107200 28.5059 -0.234756 -24.1318 2.51283 18.8014 8.48746 -23.6332 8.52892 -1.83834 TIMING: 107200 CPU: 337.071, 0.00314609/step Wall: 337.071, 0.00314609/step, 4.27588 hours remaining, 234.988281 MB of memory in use. ENERGY: 107200 3982.9954 20519.0320 14485.6053 273.1239 -202341.3611 2064.0997 0.0000 0.0000 51889.7505 -109126.7543 298.2111 -161016.5049 -108762.8864 299.6577 -420.2202 -392.2610 761785.8176 15.2270 15.1563 PRESSURE: 107400 -33.9647 -96.3633 123.332 -96.3635 -81.5573 270.237 123.332 270.237 -393.112 GPRESSURE: 107400 31.577 -127.704 54.8838 -16.9575 -85.5647 269.444 130.688 360.845 -384.152 PRESSAVG: 107400 6.66766 -5.78167 21.7694 -5.78167 24.9504 13.6996 21.7694 13.6995 16.0954 GPRESSAVG: 107400 6.71131 -6.49001 21.6705 -7.42495 25.8185 12.2437 23.3112 15.7562 14.503 TIMING: 107400 CPU: 337.703, 0.00315983/step Wall: 337.703, 0.00315983/step, 4.29438 hours remaining, 234.988281 MB of memory in use. ENERGY: 107400 3962.1877 20350.2398 14427.9438 255.6045 -202957.6112 2491.9328 0.0000 0.0000 52412.2828 -109057.4198 301.2141 -161469.7026 -108685.4978 299.6581 -169.5445 -146.0466 762304.0062 15.9045 15.6776 PRESSURE: 107600 27.3975 -125.953 -60.1881 -125.952 151.37 198.793 -60.1873 198.793 -152.527 GPRESSURE: 107600 24.1287 -212.136 -108.263 -102.573 150.625 155.668 -67.9424 216.469 -77.6303 PRESSAVG: 107600 -28.8373 -28.1764 -13.22 -28.1764 42.4396 74.6639 -13.2201 74.6639 -8.21184 GPRESSAVG: 107600 -28.8221 -25.9574 -12.5162 -29.4755 41.935 76.3906 -16.2321 73.9158 -7.48835 TIMING: 107600 CPU: 338.337, 0.00317318/step Wall: 338.337, 0.00317318/step, 4.31236 hours remaining, 234.988281 MB of memory in use. ENERGY: 107600 3988.3458 20647.4618 14428.2415 263.7357 -203067.5953 2522.5432 0.0000 0.0000 52141.2470 -109076.0202 299.6565 -161217.2672 -108717.8639 299.6839 8.7468 32.3744 763240.9666 1.7968 1.8748 PRESSURE: 107800 -355.159 49.8114 99.3261 49.8107 -172.116 -88.9551 99.3259 -88.954 -24.8045 GPRESSURE: 107800 -290.526 -21.8641 137.638 130.632 -95.6168 -143.348 128.148 -7.80296 -67.1268 PRESSAVG: 107800 -64.0751 -47.2267 -37.3687 -47.2268 58.0154 -5.27187 -37.3687 -5.2718 -8.88073 GPRESSAVG: 107800 -63.1693 -48.0879 -36.3197 -43.8186 58.3534 -5.84881 -35.0993 -4.48517 -9.90545 TIMING: 107800 CPU: 338.969, 0.00315745/step Wall: 338.969, 0.00315745/step, 4.2908 hours remaining, 234.988281 MB of memory in use. ENERGY: 107800 3979.3673 20335.2977 14494.7171 252.9169 -202836.9965 2389.4454 0.0000 0.0000 52183.6196 -109201.6326 299.9000 -161385.2521 -108850.3630 299.6196 -184.0264 -151.0898 760255.0202 -4.9801 -4.9071 PRESSURE: 108000 147.727 104.88 -54.2294 104.88 174.888 51.1752 -54.2298 51.1753 -196.156 GPRESSURE: 108000 160.949 -6.62459 -100.462 79.154 219.115 -33.8337 -109.485 71.8425 -178.41 PRESSAVG: 108000 -61.3167 -31.63 29.2407 -31.6301 68.8561 -7.46731 29.2407 -7.46729 -2.87281 GPRESSAVG: 108000 -61.9645 -32.195 27.5642 -33.2206 68.5318 -5.96281 30.7105 -10.4676 -1.58363 TIMING: 108000 CPU: 339.6, 0.00315768/step Wall: 339.6, 0.00315768/step, 4.29093 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 108000 3916.4991 20432.8165 14450.8891 231.1999 -202885.7067 2605.0509 0.0000 0.0000 51962.4087 -109286.8425 298.6287 -161249.2511 -108921.5115 299.4652 42.1528 67.2180 762188.5127 1.5555 1.6612 PRESSURE: 108200 -235.757 -58.965 4.62371 -58.9661 -262.012 96.4862 4.62328 96.4853 -337.03 GPRESSURE: 108200 -217.859 36.6689 36.8358 0.974084 -136.284 104.175 22.846 73.0576 -385.591 PRESSAVG: 108200 -3.07257 -11.3026 28.1849 -11.3026 -13.5327 41.5501 28.1849 41.55 5.81994 GPRESSAVG: 108200 -3.29293 -10.4842 27.1092 -11.9952 -12.2078 40.0427 27.9247 43.6313 5.02715 TIMING: 108200 CPU: 340.231, 0.00315298/step Wall: 340.231, 0.00315298/step, 4.28438 hours remaining, 234.988281 MB of memory in use. ENERGY: 108200 3959.5891 20359.1192 14435.3106 245.5748 -202988.3460 2533.2487 0.0000 0.0000 52267.8007 -109187.7028 300.3838 -161455.5035 -108823.9919 298.9704 -278.2664 -246.5783 763635.9311 -3.5951 -3.4912 LDB: ============= START OF LOAD BALANCING ============== 352.685 LDB: ============== END OF LOAD BALANCING =============== 352.685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 352.687 LDB: ============= START OF LOAD BALANCING ============== 353.002 LDB: Largest compute 7076 load 0.035736 is 18.4% of average load 0.194584 LDB: Average compute 0.004391 is 2.3% of average load 0.194584 LDB: TIME 353.005 LOAD: AVG 0.194584 MAX 0.212141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.988 MB LDB: TIME 353.006 LOAD: AVG 0.194584 MAX 0.212141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 353.006 LOAD: AVG 0.194584 MAX 0.212141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 353.008 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 353.013 PRESSURE: 108400 -0.103911 23.0635 -43.5188 23.0632 217.832 56.2837 -43.5192 56.283 -214.081 GPRESSURE: 108400 7.80289 -84.1816 -83.5041 48.4499 207.852 105.77 -18.1581 143.025 -140.385 PRESSAVG: 108400 26.8622 -3.7795 18.7579 -3.77953 22.9164 42.5109 18.7579 42.5109 9.35753 GPRESSAVG: 108400 26.8981 -2.70356 20.3303 -3.50812 22.526 41.6197 15.4731 43.21 9.07311 TIMING: 108400 CPU: 340.877, 0.00322996/step Wall: 340.877, 0.00322996/step, 4.3888 hours remaining, 234.476562 MB of memory in use. ENERGY: 108400 3877.0605 20543.9661 14502.5251 240.6330 -203386.7967 2924.8007 0.0000 0.0000 52049.0455 -109248.7657 299.1266 -161297.8112 -108895.4879 299.2369 1.2156 25.0901 762658.6590 19.7121 19.4991 PRESSURE: 108600 136.691 -123.442 -79.4593 -123.442 336.875 5.91086 -79.4596 5.91014 -415.924 GPRESSURE: 108600 82.0672 -129.527 -102.367 -89.3294 372.204 -87.9783 -56.9646 155.181 -313.476 PRESSAVG: 108600 -14.925 -64.7937 12.7725 -64.7937 13.4233 -1.23448 12.7725 -1.23444 21.0695 GPRESSAVG: 108600 -14.8974 -64.2492 12.0583 -64.8723 13.8428 -0.174584 16.1337 -2.69371 20.7345 TIMING: 108600 CPU: 341.512, 0.0031773/step Wall: 341.512, 0.0031773/step, 4.31706 hours remaining, 234.476562 MB of memory in use. ENERGY: 108600 4008.8196 20500.7230 14467.4083 261.8686 -203507.4444 2833.3944 0.0000 0.0000 52199.0869 -109236.1436 299.9889 -161435.2305 -108880.8489 299.6119 19.2141 46.9319 760857.6184 6.5226 6.5600 PRESSURE: 108800 -147.864 -7.59578 -109.231 -7.59633 -228.829 -21.5878 -109.231 -21.588 -35.9066 GPRESSURE: 108800 -100.57 -23.9333 -92.0886 -131.765 -208.486 0.0133877 -222.129 -94.5943 -25.3443 PRESSAVG: 108800 -27.1846 -51.2881 -14.9358 -51.2881 31.1254 4.87887 -14.9358 4.8789 8.54575 GPRESSAVG: 108800 -26.9718 -51.6266 -15.0418 -49.4766 29.7649 4.21583 -15.6035 5.15104 9.58015 TIMING: 108800 CPU: 342.142, 0.00314673/step Wall: 342.142, 0.00314673/step, 4.27536 hours remaining, 234.476562 MB of memory in use. ENERGY: 108800 3943.1711 20427.2073 14461.3549 239.4939 -202968.8501 2380.7083 0.0000 0.0000 52079.9513 -109436.9632 299.3042 -161516.9145 -109069.4458 299.7693 -137.5331 -111.4665 762838.8519 4.1622 4.1244 PRESSURE: 109000 -320.07 3.40639 305.868 3.40635 -347.384 7.35708 305.868 7.35659 -181.762 GPRESSURE: 109000 -269.73 1.22651 354.305 31.5261 -263.178 -44.8699 324.84 133.898 -223.44 PRESSAVG: 109000 -71.4387 -70.822 25.4294 -70.822 58.5847 -44.1591 25.4294 -44.1591 6.52476 GPRESSAVG: 109000 -71.2051 -69.9841 26.3401 -73.5262 59.0673 -43.4831 27.26 -42.7671 5.65709 TIMING: 109000 CPU: 342.778, 0.00318149/step Wall: 342.778, 0.00318149/step, 4.32241 hours remaining, 234.476562 MB of memory in use. ENERGY: 109000 4046.5488 20511.8857 14447.9196 266.9881 -203108.9149 2320.5087 0.0000 0.0000 52029.2534 -109485.8107 299.0128 -161515.0641 -109121.6715 298.6658 -283.0719 -252.1161 762686.5219 -2.1098 -2.1602 PRESSURE: 109200 15.1478 -84.7484 -171.517 -84.7479 -218.581 23.4634 -171.518 23.4622 177.007 GPRESSURE: 109200 -0.639972 -132.194 -260.079 -99.5823 -176.41 -136.324 -134.684 -32.496 221.228 PRESSAVG: 109200 -16.3085 -28.8965 -7.50878 -28.8966 -8.86175 -29.6734 -7.50883 -29.6735 -13.7142 GPRESSAVG: 109200 -17.5171 -30.413 -8.19483 -29.0603 -8.59466 -28.8392 -9.48409 -31.1635 -13.0934 TIMING: 109200 CPU: 343.415, 0.00318638/step Wall: 343.415, 0.00318638/step, 4.32888 hours remaining, 234.476562 MB of memory in use. ENERGY: 109200 3978.1243 20620.3248 14437.7549 246.9866 -203253.3734 2439.0675 0.0000 0.0000 51949.7867 -109581.3286 298.5561 -161531.1153 -109220.8100 298.8070 -8.8086 14.7260 761330.9773 -12.9615 -13.0684 PRESSURE: 109400 -141.33 -133.62 -210.903 -133.62 107.452 -22.636 -210.902 -22.6365 -65.822 GPRESSURE: 109400 -163.351 -233.144 -215.889 -72.2925 184.662 -39.1424 -17.715 -61.6771 -21.8902 PRESSAVG: 109400 -42.078 -60.8605 27.2792 -60.8605 -5.80434 -25.6405 27.2793 -25.6405 1.17264 GPRESSAVG: 109400 -41.4658 -59.9053 27.2236 -59.5852 -5.4521 -26.7436 25.4048 -25.7331 0.369859 TIMING: 109400 CPU: 344.05, 0.0031742/step Wall: 344.05, 0.0031742/step, 4.31215 hours remaining, 234.476562 MB of memory in use. ENERGY: 109400 4057.9610 20447.6517 14378.8780 239.8599 -203361.7291 2575.8523 0.0000 0.0000 52087.9795 -109573.5467 299.3503 -161661.5263 -109217.7034 299.0044 -33.2333 -0.1929 761932.5880 -15.5699 -15.5160 PRESSURE: 109600 -465.061 113.031 7.93412 113.03 132.539 179.586 7.93421 179.586 -46.0854 GPRESSURE: 109600 -425.501 50.4406 21.9246 194.077 169.573 135.162 35.9596 263.208 -30.118 PRESSAVG: 109600 -60.4029 -63.9892 31.7654 -63.9892 52.3142 23.474 31.7654 23.4739 12.395 GPRESSAVG: 109600 -61.1127 -64.3474 31.3945 -64.9673 54.1129 23.5198 35.6132 22.7853 11.6892 TIMING: 109600 CPU: 344.686, 0.00317947/step Wall: 344.686, 0.00317947/step, 4.31913 hours remaining, 234.476562 MB of memory in use. ENERGY: 109600 3999.6424 20416.8668 14496.0483 244.6737 -203357.9384 2668.7869 0.0000 0.0000 52125.6924 -109406.2278 299.5671 -161531.9203 -109038.1009 298.5888 -126.2027 -95.3484 762274.6888 1.4355 1.5631 PRESSURE: 109800 181.803 59.2307 45.1079 59.2309 258.11 -109.659 45.108 -109.66 166.779 GPRESSURE: 109800 217.418 -70.2521 33.5135 159.633 301.655 -101.103 -55.4009 27.0876 154.602 PRESSAVG: 109800 -68.3918 -7.6497 27.5227 -7.64971 84.8627 20.2263 27.5227 20.2262 -3.39107 GPRESSAVG: 109800 -67.195 -7.01111 26.9972 -8.21254 83.2708 19.7474 26.6694 20.1292 -3.00004 TIMING: 109800 CPU: 345.317, 0.00315468/step Wall: 345.317, 0.00315468/step, 4.28529 hours remaining, 234.476562 MB of memory in use. ENERGY: 109800 4000.5666 20617.2834 14386.4710 226.2809 -202880.3424 2515.4827 0.0000 0.0000 51906.2388 -109228.0190 298.3059 -161134.2578 -108876.9238 299.1775 202.2304 224.5584 760923.3405 4.3599 4.3586 PRESSURE: 110000 -233.399 9.28804 5.28545 9.28883 184.538 44.1898 5.28637 44.1898 -443.314 GPRESSURE: 110000 -263.037 49.9376 -30.8982 127.838 232.547 42.1959 -46.9038 189.06 -400.469 PRESSAVG: 110000 11.4781 0.208481 9.75334 0.208489 31.2924 25.6702 9.7534 25.6702 -0.416727 GPRESSAVG: 110000 9.62464 -1.33577 11.1526 1.07059 32.6995 25.6601 8.01942 27.576 -0.326639 TIMING: 110000 CPU: 345.949, 0.00316191/step Wall: 345.949, 0.00316191/step, 4.29493 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: 110000 4004.8731 20517.7538 14490.8356 224.1895 -202659.4245 2353.8913 0.0000 0.0000 52105.5148 -108962.3665 299.4511 -161067.8813 -108598.8505 299.4060 -164.0585 -143.6529 762087.6491 14.1179 13.9992 PRESSURE: 110200 -0.761005 -221.109 118.72 -221.108 308.019 -38.135 118.72 -38.1347 -293.407 GPRESSURE: 110200 -33.5837 -291.218 48.9512 -351.591 381.388 -61.7794 101.718 -69.6813 -264.025 PRESSAVG: 110200 -64.436 -41.0993 0.56505 -41.0993 36.1741 38.1829 0.565112 38.1828 -12.4282 GPRESSAVG: 110200 -63.1246 -39.7115 0.0524469 -40.6162 34.8074 37.5971 1.69174 38.5396 -12.5643 TIMING: 110200 CPU: 346.584, 0.00317403/step Wall: 346.584, 0.00317403/step, 4.31121 hours remaining, 234.476562 MB of memory in use. ENERGY: 110200 3952.8972 20576.3729 14543.9807 235.5047 -202780.8284 2345.9347 0.0000 0.0000 52244.6077 -108881.5305 300.2505 -161126.1383 -108521.0998 299.7263 4.6172 27.9263 762606.3726 -13.5634 -13.6272 PRESSURE: 110400 188.215 -147.627 40.9244 -147.627 101.275 -108.159 40.925 -108.159 258.536 GPRESSURE: 110400 250.905 27.5183 70.2283 -138.339 161.641 -77.2939 -85.197 -145.018 221.046 PRESSAVG: 110400 -44.088 -40.9715 -28.4376 -40.9715 65.9706 -18.4679 -28.4375 -18.468 12.8328 GPRESSAVG: 110400 -44.815 -40.0202 -28.1175 -43.0635 66.4225 -18.2378 -29.5216 -19.2119 13.0505 TIMING: 110400 CPU: 347.216, 0.0031576/step Wall: 347.216, 0.0031576/step, 4.28873 hours remaining, 234.476562 MB of memory in use. ENERGY: 110400 3922.6547 20349.5328 14489.1996 253.3192 -203205.2627 2585.7274 0.0000 0.0000 52392.3452 -109212.4837 301.0995 -161604.8289 -108850.3476 299.7222 182.6752 211.1973 762350.4606 11.5718 11.5527 PRESSURE: 110600 97.6283 -29.0298 154.973 -29.0295 157.689 -111.49 154.973 -111.49 92.8222 GPRESSURE: 110600 122.766 38.3016 118.323 -71.4366 168.045 -164.005 76.3628 -95.6829 141.553 PRESSAVG: 110600 -4.05077 -53.2503 36.8123 -53.2503 -23.6324 -75.1531 36.8123 -75.1531 16.6432 GPRESSAVG: 110600 -3.14346 -54.0721 36.9799 -53.1861 -24.4728 -73.6379 36.4586 -75.9341 16.6425 TIMING: 110600 CPU: 347.849, 0.00316725/step Wall: 347.849, 0.00316725/step, 4.30165 hours remaining, 234.476562 MB of memory in use. ENERGY: 110600 3909.9069 20437.9557 14477.7871 229.1885 -203241.4869 2748.9490 0.0000 0.0000 52042.8274 -109394.8725 299.0908 -161437.6999 -109040.8303 299.2464 116.0464 144.1214 761971.8509 -3.6800 -3.6579 PRESSURE: 110800 -324.089 79.9408 -20.4217 79.9404 -5.57633 207.597 -20.4223 207.596 -51.1442 GPRESSURE: 110800 -247.421 39.048 -102.598 54.5715 -1.46111 209.234 18.0409 215.801 -41.0835 PRESSAVG: 110800 -36.0397 -26.8379 -18.2338 -26.8379 70.8765 -68.6923 -18.2338 -68.6924 27.703 GPRESSAVG: 110800 -35.1683 -28.5563 -18.3758 -24.5556 71.6559 -68.8683 -18.7952 -66.4089 26.3767 TIMING: 110800 CPU: 348.481, 0.00315733/step Wall: 348.481, 0.00315733/step, 4.28801 hours remaining, 234.476562 MB of memory in use. ENERGY: 110800 3972.5962 20435.9455 14504.5051 264.5839 -203282.6858 2769.2264 0.0000 0.0000 52036.3356 -109299.4930 299.0535 -161335.8286 -108942.0947 299.2624 -126.9366 -96.6553 763124.5102 20.8466 20.9548 PRESSURE: 111000 -426.41 -210.179 -127.334 -210.18 -386.993 219.271 -127.334 219.271 231.694 GPRESSURE: 111000 -310.16 -132.866 -98.947 -144.127 -391.109 213.541 38.6818 -22.603 191.847 PRESSAVG: 111000 -11.3219 -25.7573 -5.15884 -25.7573 -40.4217 14.1162 -5.15887 14.1163 2.32967 GPRESSAVG: 111000 -12.7288 -26.0339 -4.11455 -27.06 -40.1353 14.9573 -3.56477 11.1478 3.66506 TIMING: 111000 CPU: 349.111, 0.00315063/step Wall: 349.111, 0.00315063/step, 4.27874 hours remaining, 234.476562 MB of memory in use. ENERGY: 111000 3955.3693 20576.0417 14436.0748 208.0174 -203122.3838 2754.7585 0.0000 0.0000 51960.3563 -109231.7659 298.6169 -161192.1222 -108881.4632 299.3093 -193.9031 -169.8074 763418.6074 -16.4713 -16.3997 PRESSURE: 111200 -21.8828 10.2971 96.4902 10.2968 31.8609 -227.357 96.4902 -227.358 -126.543 GPRESSURE: 111200 -8.05822 50.5478 69.8345 -0.985978 52.9508 -172.055 78.6452 -205.443 -56.02 PRESSAVG: 111200 -18.9221 -0.580119 21.6676 -0.580206 53.7662 -34.2285 21.6676 -34.2284 12.4178 GPRESSAVG: 111200 -18.1595 1.12197 20.8967 0.810483 53.5155 -36.2367 21.2239 -32.0301 12.3638 TIMING: 111200 CPU: 349.742, 0.00315625/step Wall: 349.742, 0.00315625/step, 4.28619 hours remaining, 234.476562 MB of memory in use. ENERGY: 111200 3976.2119 20442.6428 14427.3717 254.9114 -203294.0902 2631.9586 0.0000 0.0000 52296.7419 -109264.2518 300.5501 -161560.9937 -108906.7379 299.2599 -38.8549 -3.7091 761329.4192 15.7540 15.9066 PRESSURE: 111400 -619.962 40.1124 -133.751 40.1116 -456.887 86.4609 -133.75 86.4618 9.14059 GPRESSURE: 111400 -586.137 23.0809 -143.576 -24.2504 -395.952 77.431 -240.322 35.0067 26.1321 PRESSAVG: 111400 -58.6142 -39.5157 -29.9245 -39.5158 11.8515 -50.9398 -29.9245 -50.9398 -8.9074 GPRESSAVG: 111400 -59.6216 -40.6139 -29.2353 -40.5766 11.3433 -51.0445 -31.5202 -51.5083 -7.75315 TIMING: 111400 CPU: 350.378, 0.00318159/step Wall: 350.378, 0.00318159/step, 4.32042 hours remaining, 234.476562 MB of memory in use. ENERGY: 111400 3961.0920 20583.2891 14521.4297 238.2980 -202459.3014 2291.2077 0.0000 0.0000 52077.4499 -108786.5350 299.2898 -160863.9849 -108424.4750 299.4951 -355.9029 -318.6520 762143.7349 -18.5567 -18.6772 PRESSURE: 111600 -238.637 136.44 -14.9003 136.44 47.4675 278.643 -14.9006 278.644 -471.512 GPRESSURE: 111600 -158.219 95.1309 -17.2138 195.925 31.3205 171.092 23.8356 242.832 -436.293 PRESSAVG: 111600 -10.2237 -17.3129 -9.66456 -17.3129 23.1656 -9.61645 -9.66451 -9.61644 -1.28124 GPRESSAVG: 111600 -8.19941 -15.3567 -11.9465 -18.3786 22.6996 -7.96719 -7.7118 -9.59034 -2.41687 TIMING: 111600 CPU: 351.015, 0.00318106/step Wall: 351.015, 0.00318106/step, 4.31953 hours remaining, 234.476562 MB of memory in use. ENERGY: 111600 3982.0569 20277.4623 14434.1795 244.2150 -202602.6442 2453.4756 0.0000 0.0000 52243.9655 -108967.2894 300.2468 -161211.2549 -108598.3089 299.8434 -220.8940 -187.7305 761687.1609 3.8869 4.0278 PRESSURE: 111800 -68.874 89.1324 11.879 89.133 -204.705 -205.644 11.8794 -205.645 229.45 GPRESSURE: 111800 37.0092 123.35 9.25802 131.369 -151.203 -212.637 6.67875 -164.712 159.021 PRESSAVG: 111800 -26.5194 -32.0659 32.5959 -32.0658 29.7169 -33.1502 32.5959 -33.1504 26.3637 GPRESSAVG: 111800 -28.0262 -33.2455 32.3731 -30.1348 30.4258 -34.2503 33.6247 -33.7096 27.4668 TIMING: 111800 CPU: 351.646, 0.00315759/step Wall: 351.646, 0.00315759/step, 4.28747 hours remaining, 234.476562 MB of memory in use. ENERGY: 111800 4007.9668 20487.9504 14456.3548 265.8458 -203100.1295 2711.0101 0.0000 0.0000 52162.0987 -109008.9030 299.7763 -161171.0017 -108639.7842 300.0314 -14.7098 14.9423 762430.9900 9.8537 9.9555 PRESSURE: 112000 -546.675 23.1674 -179.971 23.1671 -110.403 -13.9112 -179.971 -13.9103 -379.222 GPRESSURE: 112000 -437.142 -5.32736 -146.821 -60.303 -113.652 64.1056 -92.7281 -72.1928 -403.959 PRESSAVG: 112000 -26.5037 -22.1926 9.18686 -22.1926 37.4122 -16.1569 9.18691 -16.1569 2.05041 GPRESSAVG: 112000 -25.8782 -23.2598 10.427 -20.5755 37.5787 -15.6152 7.10715 -17.772 0.754109 TIMING: 112000 CPU: 352.277, 0.00315436/step Wall: 352.277, 0.00315436/step, 4.28293 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: 112000 3990.1838 20647.0187 14466.2816 244.1189 -202962.3261 2417.7735 0.0000 0.0000 52268.3702 -108928.5794 300.3870 -161196.9496 -108569.8876 300.1793 -345.4332 -318.2509 762578.9265 4.3197 4.1515 PRESSURE: 112200 227.251 -124.11 -201.356 -124.11 224.756 256.039 -201.356 256.039 53.1622 GPRESSURE: 112200 187.013 -153.954 -231.121 -122.682 327.815 141.481 -72.4798 264.147 106.821 PRESSAVG: 112200 -14.3348 -40.2823 -37.2068 -40.2822 60.8346 -8.91387 -37.2067 -8.91378 -8.24922 GPRESSAVG: 112200 -14.7058 -39.4412 -39.7427 -41.8459 59.4791 -8.6453 -34.3359 -8.59616 -6.28446 TIMING: 112200 CPU: 352.914, 0.00318543/step Wall: 352.914, 0.00318543/step, 4.32493 hours remaining, 234.476562 MB of memory in use. ENERGY: 112200 3938.1216 20393.4209 14500.4684 250.6526 -202630.0459 2340.9483 0.0000 0.0000 52401.2428 -108805.1913 301.1507 -161206.4341 -108439.3680 300.1472 168.3899 207.2163 761075.0483 12.7502 12.8296 LDB: ============= START OF LOAD BALANCING ============== 365.368 LDB: ============== END OF LOAD BALANCING =============== 365.368 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 365.37 LDB: ============= START OF LOAD BALANCING ============== 365.685 LDB: Largest compute 7076 load 0.035933 is 18.5% of average load 0.194734 LDB: Average compute 0.004396 is 2.3% of average load 0.194734 LDB: TIME 365.688 LOAD: AVG 0.194734 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 365.689 LOAD: AVG 0.194734 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: TIME 365.689 LOAD: AVG 0.194734 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: ============== END OF LOAD BALANCING =============== 365.691 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 365.696 PRESSURE: 112400 -14.8368 -50.0284 110.133 -50.0271 -7.5985 -36.6586 110.134 -36.6571 -57.6083 GPRESSURE: 112400 40.2093 31.1028 -10.0492 -91.8276 -16.4237 6.14998 -22.3353 18.5272 -19.6273 PRESSAVG: 112400 4.51109 63.7475 18.533 63.7475 26.2015 44.9197 18.5331 44.9197 25.8132 GPRESSAVG: 112400 5.03724 64.2177 19.8213 64.695 27.0161 45.535 14.0898 44.895 24.4435 TIMING: 112400 CPU: 353.56, 0.00322968/step Wall: 353.56, 0.00322968/step, 4.38482 hours remaining, 235.757812 MB of memory in use. ENERGY: 112400 4062.0904 20602.4297 14488.3082 260.4700 -202989.3520 2449.5957 0.0000 0.0000 51978.2029 -109148.2551 298.7194 -161126.4580 -108793.9268 299.4602 -26.6812 1.3861 762918.5892 18.8419 18.8323 PRESSURE: 112600 147.345 122.128 82.5109 122.128 -50.5909 54.8637 82.5109 54.8639 -15.7517 GPRESSURE: 112600 97.4862 121.818 109.13 77.7704 2.19674 10.3884 151.386 -44.0754 48.7005 PRESSAVG: 112600 -29.6088 2.81403 46.9906 2.81396 39.6308 4.62049 46.9906 4.62049 -20.2269 GPRESSAVG: 112600 -28.0559 -0.0586544 46.4197 2.0614 39.0338 3.76673 48.7752 4.01243 -20.9334 TIMING: 112600 CPU: 354.194, 0.0031678/step Wall: 354.194, 0.0031678/step, 4.30064 hours remaining, 235.960938 MB of memory in use. ENERGY: 112600 3964.4184 20607.2417 14411.5129 247.2268 -203629.2990 3017.7579 0.0000 0.0000 52060.1333 -109321.0079 299.1903 -161381.1412 -108971.4843 299.2871 27.0009 49.4611 763013.3503 -3.4016 -3.3185 PRESSURE: 112800 -544.376 -79.766 167.581 -79.7654 234.092 68.6024 167.582 68.6028 8.61655 GPRESSURE: 112800 -511.609 -113.699 287.928 -20.4482 303.467 -17.486 98.3761 102.152 0.28953 PRESSAVG: 112800 18.2905 15.0159 17.9128 15.0159 14.2517 2.43873 17.9129 2.43877 1.78842 GPRESSAVG: 112800 16.2589 16.0057 18.8473 15.7403 16.9277 2.8005 19.377 3.67848 1.79417 TIMING: 112800 CPU: 354.826, 0.00316262/step Wall: 354.826, 0.00316262/step, 4.29343 hours remaining, 235.960938 MB of memory in use. ENERGY: 112800 4000.9374 20606.1472 14424.8845 255.5382 -203278.4757 2523.9982 0.0000 0.0000 52177.1656 -109289.8046 299.8629 -161466.9702 -108940.3211 299.5490 -100.5557 -69.2844 763678.8873 11.4435 11.6603 PRESSURE: 113000 210.206 -249.608 67.1174 -249.608 89.8635 -156.04 67.1173 -156.041 114.954 GPRESSURE: 113000 201.418 -156.141 78.7793 -247.507 160.31 -76.5746 139.474 -129.409 156.126 PRESSAVG: 113000 -75.5969 -22.2673 25.1571 -22.2674 68.9928 -35.348 25.1571 -35.3481 -9.00691 GPRESSAVG: 113000 -74.2877 -22.787 24.0574 -21.8175 67.5896 -35.3299 23.8823 -33.915 -9.12075 TIMING: 113000 CPU: 355.46, 0.00316931/step Wall: 355.46, 0.00316931/step, 4.30234 hours remaining, 235.960938 MB of memory in use. ENERGY: 113000 3998.5008 20399.5064 14584.6057 240.2757 -203433.1860 2807.5600 0.0000 0.0000 52229.3788 -109173.3586 300.1630 -161402.7374 -108797.7265 299.5591 138.3414 172.6178 762216.0063 -5.2037 -5.2729 PRESSURE: 113200 -86.909 172.528 -151.658 172.528 195.012 -39.7389 -151.658 -39.7391 276.356 GPRESSURE: 113200 -73.3624 89.0819 -39.6938 89.6225 274.112 -63.7647 -84.5051 -147.629 263.784 PRESSAVG: 113200 -41.0449 17.0453 31.266 17.0454 52.3117 3.55926 31.2661 3.55919 -18.57 GPRESSAVG: 113200 -41.8458 18.8604 31.0071 16.4621 52.6624 4.84647 31.6523 1.95451 -17.7448 TIMING: 113200 CPU: 356.094, 0.00316921/step Wall: 356.094, 0.00316921/step, 4.30203 hours remaining, 235.960938 MB of memory in use. ENERGY: 113200 3914.1729 20411.2240 14517.4127 241.7475 -203346.8211 2799.2091 0.0000 0.0000 52190.4922 -109272.5627 299.9395 -161463.0549 -108919.9719 299.2641 128.1531 154.8444 762896.9859 -2.4344 -2.3094 PRESSURE: 113400 -99.0265 -84.4565 -67.3523 -84.456 -46.8773 84.4632 -67.3507 84.4639 22.0614 GPRESSURE: 113400 -78.6765 -249.611 -74.5594 -113.726 81.1595 -20.7121 -129.647 64.7481 -22.5696 PRESSAVG: 113400 -23.437 5.38448 21.5073 5.3845 30.9729 14.2856 21.5073 14.2857 -19.6398 GPRESSAVG: 113400 -23.8809 3.13047 21.5899 4.65455 31.7674 15.1087 21.3415 13.4778 -20.0495 TIMING: 113400 CPU: 356.724, 0.00315077/step Wall: 356.724, 0.00315077/step, 4.27682 hours remaining, 235.960938 MB of memory in use. ENERGY: 113400 4030.6851 20397.1402 14511.4255 252.3736 -203340.9060 2677.3101 0.0000 0.0000 52030.3951 -109441.5764 299.0194 -161471.9716 -109076.4521 299.0084 -41.2808 -6.6955 762157.7893 -4.0346 -4.0543 PRESSURE: 113600 -55.7382 23.9912 192.269 23.9908 126.47 133.472 192.269 133.472 -231.552 GPRESSURE: 113600 85.22 -61.1974 151.524 86.4348 36.105 192.299 20.525 19.6078 -209.199 PRESSAVG: 113600 -26.4034 33.7771 -28.1534 33.7771 18.2428 -20.9323 -28.1534 -20.9323 15.2583 GPRESSAVG: 113600 -24.2181 33.3107 -28.5779 36.3014 17.0077 -23.6809 -28.6854 -18.3132 15.1176 TIMING: 113600 CPU: 357.351, 0.00313433/step Wall: 357.351, 0.00313433/step, 4.25433 hours remaining, 235.960938 MB of memory in use. ENERGY: 113600 4012.1236 20478.6531 14497.3456 255.9600 -202905.5063 2360.3487 0.0000 0.0000 51794.7626 -109506.3128 297.6652 -161301.0753 -109146.2624 298.5021 -53.6068 -29.2914 762857.9861 2.3659 2.6357 PRESSURE: 113800 170.813 131.59 -153.616 131.591 4.77168 83.6726 -153.616 83.6734 188.826 GPRESSURE: 113800 232.259 103.031 -92.3538 251.882 62.4169 88.4245 -132.706 15.6014 155.346 PRESSAVG: 113800 -64.2091 36.9296 -1.79523 36.9295 87.754 7.27392 -1.79517 7.27395 -15.6211 GPRESSAVG: 113800 -65.2928 37.323 -1.82691 33.8757 87.9033 7.27395 -1.36916 6.5374 -15.3011 TIMING: 113800 CPU: 357.979, 0.0031433/step Wall: 357.979, 0.0031433/step, 4.26633 hours remaining, 235.960938 MB of memory in use. ENERGY: 113800 3993.9548 20459.0300 14507.4120 239.9414 -203356.9565 2700.3192 0.0000 0.0000 51842.5250 -109613.7739 297.9397 -161456.2990 -109251.9818 298.8110 121.4703 150.0073 760821.1376 2.6412 2.4365 PRESSURE: 114000 268.634 -30.9335 -154.009 -30.933 48.7748 -20.3859 -154.009 -20.3849 -371.142 GPRESSURE: 114000 215.665 -79.4631 -189.296 -16.5066 164.698 -101.059 -80.7983 89.6165 -354.9 PRESSAVG: 114000 -14.8208 -26.5145 -43.0578 -26.5145 10.3924 4.5319 -43.0577 4.53189 18.2309 GPRESSAVG: 114000 -16.2445 -25.8797 -42.1767 -24.5195 11.4058 5.95386 -42.5842 3.74164 18.3589 TIMING: 114000 CPU: 358.609, 0.00314784/step Wall: 358.609, 0.00314784/step, 4.27232 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 114000 4005.2366 20421.6359 14455.0445 227.5142 -203329.9855 2557.0987 0.0000 0.0000 51910.8133 -109752.6423 298.3322 -161663.4556 -109399.0516 298.3379 -17.9113 8.4879 760963.7632 4.6008 4.5067 PRESSURE: 114200 323.804 -35.9465 -236.355 -35.947 118.025 -168.466 -236.355 -168.466 -108.148 GPRESSURE: 114200 406.231 71.6096 -344.697 -12.7481 154.949 -103.665 -92.6216 -183.183 -146.153 PRESSAVG: 114200 -11.6082 -14.0666 -32.1204 -14.0666 23.196 15.7411 -32.1204 15.7411 11.4989 GPRESSAVG: 114200 -11.0524 -14.0491 -32.1287 -15.7409 22.6732 17.1835 -32.2005 16.3637 11.5135 TIMING: 114200 CPU: 359.237, 0.00314151/step Wall: 359.237, 0.0031415/step, 4.26355 hours remaining, 235.960938 MB of memory in use. ENERGY: 114200 3893.7587 20584.4762 14450.0268 233.4538 -203289.7362 2409.9365 0.0000 0.0000 51847.0736 -109871.0106 297.9658 -161718.0842 -109502.5212 298.1285 111.2269 138.3424 760138.3790 7.6956 7.7115 PRESSURE: 114400 49.5088 53.2011 43.0552 53.2004 230.175 126.462 43.0558 126.461 135.665 GPRESSURE: 114400 158.786 -52.9955 85.5258 23.9074 227.461 -1.9262 114.141 11.9769 100.813 PRESSAVG: 114400 17.715 -2.62969 32.2506 -2.62965 11.3751 -29.7025 32.2506 -29.7025 8.05731 GPRESSAVG: 114400 16.5561 -2.08196 31.5093 -2.63705 11.8064 -32.0469 33.0294 -30.9585 8.59721 TIMING: 114400 CPU: 359.867, 0.00314733/step Wall: 359.867, 0.00314733/step, 4.27128 hours remaining, 235.960938 MB of memory in use. ENERGY: 114400 3977.1814 20502.7619 14496.1295 259.4636 -203734.1556 2658.0668 0.0000 0.0000 51872.6439 -109967.9086 298.1128 -161840.5525 -109602.7866 297.7759 138.4495 162.3534 760677.8188 12.3825 12.3199 PRESSURE: 114600 -206.542 0.825703 -162.659 0.825852 119.869 77.2515 -162.659 77.2504 -80.2132 GPRESSURE: 114600 -177.267 -14.4608 -146.657 -134.397 222.555 -18.9795 -108.67 129.588 -106.382 PRESSAVG: 114600 48.4816 -39.5163 -41.442 -39.5163 -0.570854 -15.5514 -41.442 -15.5514 -4.10957 GPRESSAVG: 114600 49.9018 -38.4728 -39.6004 -39.8697 -1.43543 -14.0242 -43.7541 -15.6744 -4.82427 TIMING: 114600 CPU: 360.494, 0.00313372/step Wall: 360.494, 0.00313372/step, 4.25263 hours remaining, 235.960938 MB of memory in use. ENERGY: 114600 3916.9605 20394.7836 14504.4684 229.8554 -203466.3677 2522.4822 0.0000 0.0000 51971.7130 -109926.1046 298.6821 -161897.8176 -109562.0401 297.6703 -55.6288 -20.3645 762018.0905 14.6004 14.5474 PRESSURE: 114800 -442.617 62.6822 112.214 62.682 -28.2819 47.6528 112.214 47.6517 -9.30284 GPRESSURE: 114800 -332.087 14.479 69.9059 -30.1415 -28.3495 67.7451 58.8579 -7.93493 -21.7121 PRESSAVG: 114800 -48.8138 -55.0486 10.3588 -55.0486 -10.1394 -61.729 10.3588 -61.729 9.0899 GPRESSAVG: 114800 -50.4765 -56.1988 9.69518 -53.4866 -9.01896 -63.6711 11.8229 -60.5629 9.61383 TIMING: 114800 CPU: 361.121, 0.00313983/step Wall: 361.121, 0.00313983/step, 4.26075 hours remaining, 235.960938 MB of memory in use. ENERGY: 114800 4081.5496 20410.4370 14509.4934 245.2797 -203447.6429 2605.9857 0.0000 0.0000 51820.2931 -109774.6043 297.8119 -161594.8974 -109409.3267 298.3888 -160.0672 -127.3827 761801.5522 -16.6211 -16.6272 PRESSURE: 115000 -120.671 30.3853 327.865 30.386 121.639 8.3056 327.865 8.30498 -18.9699 GPRESSURE: 115000 -13.7314 32.5591 392.491 123.666 109.665 -25.5681 257.343 98.4388 -34.9545 PRESSAVG: 115000 3.12998 -21.4992 19.6412 -21.4992 -7.29156 -56.8682 19.6412 -56.8682 -17.033 GPRESSAVG: 115000 3.26242 -21.3269 19.606 -21.7605 -9.44062 -56.1769 19.767 -57.0952 -15.596 TIMING: 115000 CPU: 361.75, 0.00314232/step Wall: 361.75, 0.00314232/step, 4.26395 hours remaining, 235.960938 MB of memory in use. ENERGY: 115000 3939.2999 20358.1367 14465.4609 231.7948 -203263.8786 2393.0833 0.0000 0.0000 51944.0772 -109932.0259 298.5233 -161876.1030 -109562.1541 298.3120 -6.0004 20.3264 762742.8409 -7.0648 -7.2581 PRESSURE: 115200 -437.104 52.587 -135.371 52.5872 -320.393 190.385 -135.371 190.386 -162.622 GPRESSURE: 115200 -337.624 -41.9298 -148.056 79.1778 -411.147 91.9612 -133.588 235.818 -96.8037 PRESSAVG: 115200 43.0203 -7.98146 23.3853 -7.98143 -24.429 -5.26317 23.3853 -5.26315 8.113 GPRESSAVG: 115200 43.6548 -9.57636 22.7361 -8.78248 -23.5722 -7.23623 23.1708 -4.27966 6.923 TIMING: 115200 CPU: 362.377, 0.00313647/step Wall: 362.377, 0.00313647/step, 4.25585 hours remaining, 235.960938 MB of memory in use. ENERGY: 115200 4042.5815 20438.8976 14487.7731 226.3560 -203428.1186 2593.3848 0.0000 0.0000 51907.9027 -109731.2228 298.3154 -161639.1255 -109382.4476 298.0210 -306.7063 -281.8580 764369.3128 8.9014 9.0019 PRESSURE: 115400 -301.222 -173.956 59.0535 -173.957 -4.19132 53.3046 59.0541 53.3057 -31.2403 GPRESSURE: 115400 -225.668 -252.614 76.1985 -161.823 -16.6509 100.262 80.2488 -32.4213 -8.91013 PRESSAVG: 115400 -11.0752 7.98414 1.4263 7.98412 10.3844 -18.8944 1.4263 -18.8943 -10.446 GPRESSAVG: 115400 -10.9044 12.1072 -0.186009 6.90245 11.5652 -15.7097 2.23383 -21.0549 -11.5351 TIMING: 115400 CPU: 363.004, 0.00313211/step Wall: 363.004, 0.00313211/step, 4.24976 hours remaining, 235.960938 MB of memory in use. ENERGY: 115400 4001.2581 20445.5785 14483.7733 255.9889 -203353.0465 2663.2041 0.0000 0.0000 52113.1508 -109390.0928 299.4950 -161503.2435 -109021.4155 298.9162 -112.2180 -83.7431 763658.7466 -3.7122 -3.6248 PRESSURE: 115600 -191.664 316.537 2.49211 316.537 244.766 -92.0282 2.49307 -92.0278 10.1105 GPRESSURE: 115600 -53.6801 208.835 1.4258 320.906 211.982 -99.5769 -13.8773 -86.4767 11.4131 PRESSAVG: 115600 -15.7273 9.20862 22.5896 9.20863 13.4214 1.53135 22.5897 1.5313 -1.45291 GPRESSAVG: 115600 -15.7716 6.69699 23.6798 11.033 12.9259 -0.341463 21.0664 1.09365 -0.819348 TIMING: 115600 CPU: 363.63, 0.00312984/step Wall: 363.63, 0.00312984/step, 4.2465 hours remaining, 235.960938 MB of memory in use. ENERGY: 115600 3972.2202 20559.9533 14502.9798 231.5834 -203270.4917 2675.6017 0.0000 0.0000 52004.3497 -109323.8036 298.8697 -161328.1533 -108965.2032 299.1224 21.0710 56.5716 763132.8828 -1.2529 -1.2217 PRESSURE: 115800 -254.952 -55.5372 111.877 -55.538 -1.93934 91.2059 111.877 91.2058 122.627 GPRESSURE: 115800 -193.725 -109.355 104.221 -46.7347 63.4425 39.2096 141.794 176.66 64.0325 PRESSAVG: 115800 0.666604 -48.7182 10.0795 -48.7182 55.8211 -20.8394 10.0795 -20.8394 13.9218 GPRESSAVG: 115800 0.652648 -47.5859 10.2972 -51.3029 55.4494 -19.2393 11.3749 -20.9663 13.5923 TIMING: 115800 CPU: 364.264, 0.00317421/step Wall: 364.264, 0.00317421/step, 4.30652 hours remaining, 235.960938 MB of memory in use. ENERGY: 115800 4007.6240 20429.8761 14512.4018 253.7007 -203556.1948 2751.0854 0.0000 0.0000 52214.8311 -109386.6757 300.0794 -161601.5068 -109021.4286 299.5290 -44.7547 -22.0833 762713.3424 23.4699 23.2314 PRESSURE: 116000 42.9026 3.52018 -8.16643 3.5199 43.0095 -330.021 -8.16583 -330.021 -127.781 GPRESSURE: 116000 70.1401 22.3419 8.67491 70.3967 67.6631 -244.531 -33.7854 -332.925 -106.619 PRESSAVG: 116000 4.31302 48.6825 47.4658 48.6825 -19.8643 -21.656 47.4658 -21.656 -9.69124 GPRESSAVG: 116000 4.76377 48.2183 46.922 51.9467 -20.4532 -21.7027 46.2747 -19.4481 -9.30568 TIMING: 116000 CPU: 364.894, 0.00314754/step Wall: 364.894, 0.00314754/step, 4.27017 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 116000 3994.6677 20522.3650 14489.7127 244.5563 -203310.2735 2650.2566 0.0000 0.0000 52208.7531 -109199.9621 300.0444 -161408.7151 -108853.4958 299.0445 -13.9563 10.3946 763304.3531 -8.4142 -8.3317 PRESSURE: 116200 -201.655 -31.5078 6.52063 -31.5085 -347.915 145.817 6.52164 145.817 65.1024 GPRESSURE: 116200 -132.627 42.7945 -116.87 -50.5621 -325.597 160.18 3.20185 62.8583 79.0238 PRESSAVG: 116200 -37.2895 -54.3116 -4.23154 -54.3116 -5.76863 -14.1403 -4.2316 -14.1403 2.65161 GPRESSAVG: 116200 -37.2488 -52.6374 -3.96736 -55.2431 -5.59498 -16.4734 -1.9612 -16.9485 2.4704 TIMING: 116200 CPU: 365.525, 0.00315522/step Wall: 365.525, 0.00315522/step, 4.2804 hours remaining, 235.960938 MB of memory in use. ENERGY: 116200 4025.9460 20499.0925 14426.1501 263.6359 -203266.6674 2701.6707 0.0000 0.0000 52196.1196 -109154.0527 299.9718 -161350.1723 -108786.3970 299.4075 -161.4894 -126.4000 763101.6204 -13.4688 -13.4578 LDB: ============= START OF LOAD BALANCING ============== 377.975 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 377.975 LDB: =============== DONE WITH MIGRATION ================ 377.977 LDB: ============= START OF LOAD BALANCING ============== 378.292 LDB: Largest compute 7077 load 0.036326 is 18.7% of average load 0.194652 LDB: Average compute 0.004384 is 2.3% of average load 0.194652 LDB: TIME 378.295 LOAD: AVG 0.194652 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.109 MB LDB: TIME 378.296 LOAD: AVG 0.194652 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: TIME 378.296 LOAD: AVG 0.194652 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: ============== END OF LOAD BALANCING =============== 378.298 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 378.303 PRESSURE: 116400 -111.889 186.242 103.487 186.241 -159.554 -162.62 103.488 -162.62 167.013 GPRESSURE: 116400 -54.1029 160.788 100.424 168.691 -131.759 -244.682 248.629 -125.897 177.927 PRESSAVG: 116400 -35.7646 -11.7738 2.05945 -11.7737 -13.1281 2.82154 2.05948 2.82152 0.377807 GPRESSAVG: 116400 -35.5835 -11.1637 1.5481 -11.867 -13.13 3.80128 2.04011 6.14247 0.209093 TIMING: 116400 CPU: 366.167, 0.00320935/step Wall: 366.167, 0.00320935/step, 4.35366 hours remaining, 234.785156 MB of memory in use. ENERGY: 116400 4078.9926 20445.8766 14400.4970 238.6493 -202988.2554 2497.0637 0.0000 0.0000 52102.0023 -109225.1738 299.4309 -161327.1762 -108859.7161 299.6853 -34.8099 -2.6448 764254.2725 -16.1716 -16.1681 PRESSURE: 116600 -263.257 -71.7884 218.672 -71.7887 -118.291 -103.427 218.672 -103.428 172.353 GPRESSURE: 116600 -142.646 -179.944 151.963 -118.09 -157.365 -129.965 44.234 26.8348 176.253 PRESSAVG: 116600 2.79562 -21.9846 76.3872 -21.9847 -1.13013 -67.3729 76.3872 -67.3729 -9.13722 GPRESSAVG: 116600 3.05003 -23.9093 75.3613 -23.8124 -1.74849 -67.5821 75.4123 -67.2362 -9.04074 TIMING: 116600 CPU: 366.795, 0.0031423/step Wall: 366.795, 0.0031423/step, 4.26253 hours remaining, 234.988281 MB of memory in use. ENERGY: 116600 4006.1724 20549.7554 14530.5722 254.7538 -203308.4681 2710.7296 0.0000 0.0000 52221.5668 -109034.9180 300.1181 -161256.4849 -108676.7567 299.7012 -69.7315 -41.2524 764290.8911 -2.4906 -2.5797 PRESSURE: 116800 -209.073 -164.767 -146.299 -164.766 141.547 46.0053 -146.299 46.0046 580.588 GPRESSURE: 116800 -132.745 -75.9814 -136.679 -167.372 196.329 95.9722 -127.195 -83.8381 541.747 PRESSAVG: 116800 -15.8626 -0.4363 34.0898 -0.436323 -40.5069 -13.1279 34.0898 -13.128 4.89596 GPRESSAVG: 116800 -16.899 -0.66409 35.8054 0.166101 -39.7701 -10.7878 34.1478 -15.6449 5.34511 TIMING: 116800 CPU: 367.429, 0.00316714/step Wall: 367.429, 0.00316714/step, 4.29605 hours remaining, 234.988281 MB of memory in use. ENERGY: 116800 3986.0039 20580.5482 14541.8064 249.3627 -203247.0392 2663.2578 0.0000 0.0000 52005.0586 -109221.0016 298.8738 -161226.0602 -108853.9958 299.4666 171.0208 201.7769 762770.7548 -17.1578 -17.1080 PRESSURE: 117000 -168.566 -224.998 -128.29 -224.998 220.462 -99.1357 -128.29 -99.1356 -278.533 GPRESSURE: 117000 -136.981 -193.762 -96.9067 -302.177 237.109 -33.2732 -146.526 -83.1991 -228.904 PRESSAVG: 117000 -46.0144 -21.089 1.83196 -21.0889 33.5026 8.88826 1.83192 8.88822 0.981916 GPRESSAVG: 117000 -46.8632 -21.3956 3.39169 -20.8062 34.2641 6.49152 1.62759 10.1731 0.799886 TIMING: 117000 CPU: 368.062, 0.00316539/step Wall: 368.062, 0.00316539/step, 4.2935 hours remaining, 234.988281 MB of memory in use. ENERGY: 117000 4012.0026 20461.0463 14486.0258 255.1579 -203115.8765 2498.2933 0.0000 0.0000 52150.6229 -109252.7276 299.7103 -161403.3505 -108883.7029 299.4784 -75.5459 -42.9250 762990.3732 -3.8433 -3.9331 PRESSURE: 117200 -40.7924 -20.3084 244.023 -20.3078 84.1298 49.8645 244.023 49.8658 521.948 GPRESSURE: 117200 -9.11107 -128.492 277.499 131.369 135.628 98.1706 148.621 -35.881 512.128 PRESSAVG: 117200 -20.3705 -27.9369 51.1084 -27.9369 29.3575 -2.35464 51.1083 -2.35463 -2.60544 GPRESSAVG: 117200 -20.7582 -28.7794 49.0575 -26.736 29.5727 -1.82415 51.0302 -3.33583 -2.73521 TIMING: 117200 CPU: 368.69, 0.00314173/step Wall: 368.69, 0.00314173/step, 4.26123 hours remaining, 234.988281 MB of memory in use. ENERGY: 117200 3979.9135 20504.2954 14547.4852 247.8656 -203461.9915 2894.1603 0.0000 0.0000 52006.9254 -109281.3460 298.8845 -161288.2714 -108915.3077 299.6975 188.4283 212.8818 761944.0273 2.1272 2.0264 PRESSURE: 117400 153.244 194.91 139.245 194.91 36.8536 57.7013 139.246 57.7012 -206.037 GPRESSURE: 117400 231.657 140.213 192.214 264.58 27.3722 17.1155 39.0489 81.4559 -167.147 PRESSAVG: 117400 -59.9076 -20.7483 28.2602 -20.7484 6.14504 -35.3946 28.2602 -35.3945 -4.69731 GPRESSAVG: 117400 -59.8911 -19.2914 29.7667 -21.5609 5.41161 -36.5576 29.733 -35.0804 -3.9772 TIMING: 117400 CPU: 369.323, 0.00316207/step Wall: 369.323, 0.00316207/step, 4.28865 hours remaining, 234.988281 MB of memory in use. ENERGY: 117400 4038.2370 20635.4451 14457.8306 246.4273 -203667.0216 2956.5979 0.0000 0.0000 52248.1128 -109084.3710 300.2706 -161332.4838 -108728.3268 299.6178 -5.3131 30.6272 761582.5963 -19.4866 -19.4856 PRESSURE: 117600 -167.129 -68.0092 -80.1247 -68.0099 148.225 7.6954 -80.1257 7.69412 -105.27 GPRESSURE: 117600 -78.4484 -235.463 -43.2785 -95.3543 188.572 -52.9239 -72.4255 9.56134 -141.384 PRESSAVG: 117600 -36.9527 -4.10373 35.3647 -4.10373 26.7361 -47.506 35.3648 -47.5059 -20.2167 GPRESSAVG: 117600 -37.3642 -6.28433 32.3928 -2.95006 27.177 -46.4565 36.7063 -45.035 -19.9738 TIMING: 117600 CPU: 369.952, 0.00314753/step Wall: 369.952, 0.00314753/step, 4.26875 hours remaining, 234.988281 MB of memory in use. ENERGY: 117600 3980.9180 20419.7870 14519.2274 266.8847 -203341.7101 2694.7934 0.0000 0.0000 52117.9532 -109342.1463 299.5226 -161460.0995 -108975.0526 299.6763 -41.3911 -10.4202 762115.0347 -10.1444 -10.0537 PRESSURE: 117800 -298.153 142.327 -163.003 142.329 -157.216 -7.28707 -163.004 -7.288 -39.534 GPRESSURE: 117800 -242.676 42.1058 -205.834 81.5204 -203.468 -44.562 -139.872 78.0632 52.9316 PRESSAVG: 117800 -72.1201 -60.3774 46.3844 -60.3775 114.468 -38.7728 46.3844 -38.7728 -9.83468 GPRESSAVG: 117800 -70.2927 -60.958 48.915 -62.4353 112.63 -38.9341 43.6554 -40.6213 -9.58743 TIMING: 117800 CPU: 370.585, 0.00316508/step Wall: 370.585, 0.00316508/step, 4.29238 hours remaining, 234.988281 MB of memory in use. ENERGY: 117800 3967.8422 20556.7385 14454.4256 238.3763 -202590.4568 2088.7962 0.0000 0.0000 52095.0038 -109189.2742 299.3907 -161284.2780 -108837.0498 299.2903 -164.9676 -131.0707 761958.4622 10.8378 10.9168 PRESSURE: 118000 -2.13853 10.7177 -316.542 10.7175 -400.322 -37.1446 -316.541 -37.1444 -372.98 GPRESSURE: 118000 -104.846 2.54865 -139.87 61.0741 -234.88 -39.9196 -288.872 144.591 -373.493 PRESSAVG: 118000 -69.7988 -37.6382 21.1551 -37.6381 75.1183 40.7571 21.1552 40.7571 24.5423 GPRESSAVG: 118000 -69.9707 -37.027 22.9808 -37.8095 75.4701 41.1293 21.917 40.1132 24.3136 TIMING: 118000 CPU: 371.218, 0.00316247/step Wall: 371.218, 0.00316247/step, 4.28866 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 118000 4030.3775 20666.7851 14500.1558 240.1856 -202815.0112 2144.9366 0.0000 0.0000 52175.7440 -109056.8266 299.8547 -161232.5706 -108700.6419 299.3353 -258.4800 -237.7396 762294.4958 9.9539 9.9377 PRESSURE: 118200 -136.589 19.3095 174.728 19.3096 -110.114 209.899 174.728 209.9 113.003 GPRESSURE: 118200 -68.1997 -24.6354 136.694 -65.8012 -124.944 131.668 231.738 194.157 138.982 PRESSAVG: 118200 -4.384 43.3452 -9.97621 43.3452 23.2725 2.57073 -9.97626 2.5708 -7.38917 GPRESSAVG: 118200 -4.85563 45.1263 -11.6784 43.0913 24.9653 1.02234 -10.6522 3.10704 -8.365 TIMING: 118200 CPU: 371.852, 0.00317381/step Wall: 371.852, 0.00317381/step, 4.30387 hours remaining, 234.988281 MB of memory in use. ENERGY: 118200 4010.1258 20604.2804 14449.3045 251.6065 -202632.7013 2012.9364 0.0000 0.0000 52173.0263 -109131.4215 299.8391 -161304.4478 -108770.4169 299.8715 -44.5665 -18.0541 761812.4986 3.8331 3.9149 PRESSURE: 118400 -78.9767 -42.1077 164.444 -42.1077 -60.5854 -160.863 164.445 -160.864 -112.577 GPRESSURE: 118400 -32.1618 -63.62 99.7791 -65.6058 -26.8037 -215.574 116.618 -72.4757 -101.563 PRESSAVG: 118400 -53.5493 -3.32944 -9.75943 -3.32945 37.9418 -47.9025 -9.75949 -47.9025 -26.376 GPRESSAVG: 118400 -53.6866 -5.1603 -9.76712 -3.99785 36.5997 -47.9789 -7.57909 -46.4735 -24.742 TIMING: 118400 CPU: 372.48, 0.00313649/step Wall: 372.48, 0.00313649/step, 4.25309 hours remaining, 234.988281 MB of memory in use. ENERGY: 118400 3975.0778 20605.1597 14457.2220 236.0704 -202939.8130 2554.7901 0.0000 0.0000 51951.8363 -109159.6568 298.5679 -161111.4930 -108798.4498 299.8117 -84.0464 -53.5093 762989.6612 -13.9945 -13.9430 PRESSURE: 118600 -155.165 -29.4501 -89.3773 -29.4509 185.464 -42.2613 -89.3778 -42.261 -197.349 GPRESSURE: 118600 -121.647 -128.219 -123.408 78.0049 185.309 0.914038 126.067 -71.5427 -163.497 PRESSAVG: 118600 -46.6935 -6.11208 67.16 -6.11207 32.8172 -30.9339 67.16 -30.9339 1.99053 GPRESSAVG: 118600 -47.3932 -6.53855 66.4077 -3.49037 33.2167 -28.9789 67.0412 -33.5901 2.31057 TIMING: 118600 CPU: 373.109, 0.0031485/step Wall: 373.109, 0.0031485/step, 4.26919 hours remaining, 234.988281 MB of memory in use. ENERGY: 118600 4076.1808 20637.8875 14505.3331 248.7169 -202966.8296 2665.4218 0.0000 0.0000 51825.1781 -109008.1114 297.8400 -160833.2896 -108651.5010 299.7733 -55.6834 -33.2785 762474.5887 -3.9619 -3.9553 PRESSURE: 118800 146.024 -335.181 9.27363 -335.181 233.304 138.448 9.27365 138.447 233.535 GPRESSURE: 118800 234.374 -147.718 65.503 -260.544 204.157 237.595 11.1417 156.885 262.063 PRESSAVG: 118800 -38.5019 -0.90393 -5.63752 -0.903909 17.4304 -16.2785 -5.63744 -16.2785 0.295437 GPRESSAVG: 118800 -38.326 2.00765 -4.90525 -2.80891 18.6094 -15.9 -5.97323 -15.6513 -1.31215 TIMING: 118800 CPU: 373.745, 0.00317625/step Wall: 373.745, 0.00317625/step, 4.30664 hours remaining, 234.988281 MB of memory in use. ENERGY: 118800 3964.5015 20430.7813 14495.1595 244.6866 -203200.1436 2737.6340 0.0000 0.0000 51968.4685 -109358.9121 298.6635 -161327.3807 -108992.8235 299.1269 204.2877 233.5310 762331.5860 -6.9254 -7.0096 PRESSURE: 119000 94.1866 -241 -53.4862 -241 180.391 -30.8109 -53.4868 -30.8109 97.4843 GPRESSURE: 119000 87.0719 -260.588 -57.125 -142.62 264.17 -16.3358 -118.357 47.7328 134.789 PRESSAVG: 119000 -19.6926 -32.0831 -50.2779 -32.0831 46.7996 2.35339 -50.2778 2.35334 3.744 GPRESSAVG: 119000 -19.3141 -35.3211 -49.0191 -31.2852 46.22 1.33462 -49.0899 4.52143 4.56261 TIMING: 119000 CPU: 374.377, 0.00316195/step Wall: 374.377, 0.00316195/step, 4.28708 hours remaining, 234.988281 MB of memory in use. ENERGY: 119000 3969.8152 20379.4690 14545.3592 227.3545 -203226.4724 2579.3520 0.0000 0.0000 52124.5568 -109400.5657 299.5605 -161525.1225 -109036.7487 298.4886 124.0207 162.0103 761207.4259 10.2837 10.4895 PRESSURE: 119200 -245.481 264.16 -79.1309 264.159 4.41359 26.2587 -79.131 26.2585 -242.935 GPRESSURE: 119200 -145.155 310.298 -69.5371 213.308 -4.52925 -14.6533 -209.378 -58.3214 -266.667 PRESSAVG: 119200 -7.24369 -47.6972 11.9246 -47.6972 13.9353 17.9875 11.9245 17.9875 18.0526 GPRESSAVG: 119200 -6.72881 -47.0918 10.0604 -49.9483 11.7591 16.9259 9.54025 18.7423 18.7672 TIMING: 119200 CPU: 375.009, 0.00315788/step Wall: 375.009, 0.00315788/step, 4.28138 hours remaining, 234.988281 MB of memory in use. ENERGY: 119200 3981.8738 20693.7444 14522.5217 237.9639 -203317.7122 2648.8602 0.0000 0.0000 51696.5343 -109536.2139 297.1007 -161232.7482 -109174.9708 298.8832 -161.3340 -138.7839 763577.3832 8.2481 7.9325 PRESSURE: 119400 -58.7243 122.921 -79.7736 122.922 -17.2725 104.42 -79.7732 104.419 73.107 GPRESSURE: 119400 14.903 71.348 16.6688 179.446 40.1263 163.616 -43.5356 189.023 40.5511 PRESSAVG: 119400 -120.29 29.5333 1.92537 29.5333 12.67 5.86472 1.92539 5.86468 -10.6188 GPRESSAVG: 119400 -121.412 28.9976 2.19147 32.0362 15.0398 6.77485 3.78086 4.68517 -11.6443 TIMING: 119400 CPU: 375.64, 0.00315902/step Wall: 375.64, 0.00315902/step, 4.28275 hours remaining, 234.988281 MB of memory in use. ENERGY: 119400 4002.1372 20376.1736 14471.1628 241.8209 -203086.9501 2435.5429 0.0000 0.0000 52207.8147 -109352.2979 300.0390 -161560.1127 -108978.3780 298.1666 -0.9633 31.8601 762904.7355 -39.4130 -39.3388 PRESSURE: 119600 -92.1137 -152.93 29.0595 -152.931 -396.433 -170.895 29.0595 -170.895 66.7685 GPRESSURE: 119600 -100.827 -191.649 42.7868 -145.884 -265.183 -168.048 -20.3052 -87.068 43.5168 PRESSAVG: 119600 -50.0999 -53.717 22.1846 -53.7171 60.232 30.5211 22.1846 30.5211 24.8947 GPRESSAVG: 119600 -50.0595 -51.1794 23.9379 -54.5702 60.633 30.9227 20.647 32.6519 23.9651 TIMING: 119600 CPU: 376.269, 0.00314296/step Wall: 376.269, 0.00314296/step, 4.2608 hours remaining, 234.988281 MB of memory in use. ENERGY: 119600 4001.1802 20522.6518 14434.6141 252.9430 -203090.3010 2615.2260 0.0000 0.0000 51914.3195 -109349.3665 298.3523 -161263.6860 -108988.7193 299.1369 -140.5928 -107.4979 762285.8221 11.6756 11.5129 PRESSURE: 119800 -334.773 -54.7836 15.5772 -54.7838 0.899836 -55.7539 15.5787 -55.7541 -500.228 GPRESSURE: 119800 -332.57 -35.1188 -7.66636 -2.25545 -27.4879 -83.6918 96.824 -101.172 -399.5 PRESSAVG: 119800 6.65964 -3.42859 2.93371 -3.42858 -14.1334 19.6768 2.93371 19.6768 -29.5844 GPRESSAVG: 119800 4.98129 -3.44209 2.11312 -3.56205 -14.7749 19.5827 2.33371 16.0783 -28.1972 TIMING: 119800 CPU: 376.901, 0.00315829/step Wall: 376.901, 0.00315829/step, 4.28142 hours remaining, 234.988281 MB of memory in use. ENERGY: 119800 3980.8978 20648.6910 14546.5936 255.9763 -203259.3321 2627.5290 0.0000 0.0000 51757.4850 -109442.1593 297.4510 -161199.6444 -109086.7404 299.0417 -278.0337 -253.1861 762714.4942 -12.3527 -12.6636 PRESSURE: 120000 -388.787 -102.74 56.5139 -102.74 -45.4677 88.2225 56.5134 88.2239 -277.033 GPRESSURE: 120000 -387.09 -46.0677 10.4984 -73.9851 -23.6896 46.359 19.5677 49.9166 -201.319 PRESSAVG: 120000 3.09416 -24.8362 -20.7814 -24.8362 -8.0241 -14.8025 -20.7815 -14.8025 6.52134 GPRESSAVG: 120000 4.48527 -24.6219 -22.8048 -23.5194 -9.06709 -13.7674 -19.3838 -14.8464 6.52719 TIMING: 120000 CPU: 377.532, 0.00315791/step Wall: 377.532, 0.00315791/step, 4.28072 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 120000 3979.6061 20429.7387 14463.0474 229.8563 -202830.0308 2355.3516 0.0000 0.0000 52152.4622 -109219.9686 299.7209 -161372.4308 -108857.0959 299.4103 -237.0957 -204.0329 761261.6851 0.5305 0.6485 PRESSURE: 120200 -270.377 -176.347 -14.0023 -176.346 -244.057 -7.54717 -14.0023 -7.54806 247.648 GPRESSURE: 120200 -219.82 -155.018 -77.0374 -157.266 -256.165 -40.2826 183.6 53.7844 307.718 PRESSAVG: 120200 -18.6184 8.12554 -17.4338 8.12556 39.038 -46.826 -17.4338 -46.826 11.2271 GPRESSAVG: 120200 -19.9946 6.09969 -16.193 7.70525 39.2555 -46.5294 -17.2887 -47.7715 12.4493 TIMING: 120200 CPU: 378.161, 0.00314499/step Wall: 378.161, 0.00314499/step, 4.26303 hours remaining, 234.988281 MB of memory in use. ENERGY: 120200 4005.4868 20574.3625 14503.4275 240.3183 -203047.1484 2491.0763 0.0000 0.0000 52238.0864 -108994.3907 300.2130 -161232.4771 -108647.6478 299.7869 -88.9288 -56.0892 760712.4002 10.5489 10.5701 LDB: ============= START OF LOAD BALANCING ============== 390.612 LDB: ============== END OF LOAD BALANCING =============== 390.613 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 390.614 LDB: ============= START OF LOAD BALANCING ============== 390.927 LDB: Largest compute 7077 load 0.035392 is 18.2% of average load 0.194701 LDB: Average compute 0.004384 is 2.3% of average load 0.194701 LDB: TIME 390.931 LOAD: AVG 0.194701 MAX 0.212289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.047 MB LDB: TIME 390.931 LOAD: AVG 0.194701 MAX 0.212289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: TIME 390.931 LOAD: AVG 0.194701 MAX 0.212289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: ============== END OF LOAD BALANCING =============== 390.933 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 390.937 PRESSURE: 120400 -131.117 -177.389 191.648 -177.389 -11.0841 -255.613 191.648 -255.612 177.539 GPRESSURE: 120400 -62.0137 -243.236 113.98 -123.313 71.748 -189.429 227.753 -228.962 105.045 PRESSAVG: 120400 -45.7361 -3.2018 9.79182 -3.20182 29.1272 -12.9747 9.79178 -12.9748 8.34761 GPRESSAVG: 120400 -45.4729 -2.49665 9.34721 -3.50267 30.4491 -14.6844 11.3504 -11.607 7.02436 TIMING: 120400 CPU: 378.802, 0.00320172/step Wall: 378.802, 0.00320172/step, 4.33975 hours remaining, 235.113281 MB of memory in use. ENERGY: 120400 4001.1485 20597.2422 14498.4217 242.0416 -203283.5999 2564.3922 0.0000 0.0000 52475.3168 -108905.0369 301.5764 -161380.3537 -108540.6469 300.5225 11.7794 38.2599 760220.3002 -2.7538 -2.6665 PRESSURE: 120600 -320.424 209.444 101.961 209.444 461.863 -143.24 101.962 -143.239 81.5541 GPRESSURE: 120600 -280.598 209.69 29.2599 192.14 487.38 -182.415 121.344 -26.0949 84.0715 PRESSAVG: 120600 -75.3761 -37.0079 -30.5294 -37.0078 32.3084 -61.9408 -30.5293 -61.9408 16.0672 GPRESSAVG: 120600 -73.3396 -36.1572 -30.5668 -37.7058 30.0436 -63.0702 -33.1076 -58.8869 15.8834 TIMING: 120600 CPU: 379.429, 0.00313924/step Wall: 379.429, 0.00313924/step, 4.25489 hours remaining, 235.113281 MB of memory in use. ENERGY: 120600 3965.2694 20716.5177 14426.6655 232.1058 -203079.9729 2456.0090 0.0000 0.0000 52323.0278 -108960.3777 300.7012 -161283.4055 -108593.8561 300.4557 74.3310 96.9512 762011.5469 -9.0001 -9.1375 PRESSURE: 120800 -9.7798 11.4144 -23.8694 11.4146 -11.1686 -82.9058 -23.8696 -82.9075 -85.969 GPRESSURE: 120800 67.8038 -77.1356 -47.0724 28.2429 -59.9173 -31.732 -92.6174 -114.5 -12.3272 PRESSAVG: 120800 -6.2968 -15.6376 4.34967 -15.6377 4.65816 -10.2785 4.34968 -10.2786 7.41281 GPRESSAVG: 120800 -6.53716 -18.0566 5.55852 -14.05 5.32564 -9.17354 4.12429 -11.5842 7.08613 TIMING: 120800 CPU: 380.058, 0.00314458/step Wall: 380.058, 0.00314458/step, 4.26196 hours remaining, 235.113281 MB of memory in use. ENERGY: 120800 4030.2008 20538.1746 14452.9051 250.7184 -202855.6824 2580.5418 0.0000 0.0000 51989.4542 -109013.6875 298.7841 -161003.1416 -108650.1334 300.3204 -35.6391 -1.4802 762749.2301 1.9247 1.9582 PRESSURE: 121000 56.4346 48.5453 3.13347 48.5455 73.4744 217.392 3.13312 217.392 267.746 GPRESSURE: 121000 31.8884 -65.4934 16.8525 70.5028 146.068 241.627 -14.6881 200.89 281.765 PRESSAVG: 121000 -65.6621 -8.63866 12.9303 -8.63862 76.7654 26.3491 12.9304 26.3491 -14.1688 GPRESSAVG: 121000 -67.3703 -8.09109 11.8711 -9.2968 77.1125 27.442 13.8162 25.1132 -12.8326 TIMING: 121000 CPU: 380.687, 0.00314345/step Wall: 380.687, 0.00314345/step, 4.26025 hours remaining, 235.113281 MB of memory in use. ENERGY: 121000 3930.6525 20495.4253 14448.0067 251.8609 -203228.0809 2617.4090 0.0000 0.0000 52349.4134 -109135.3131 300.8528 -161484.7265 -108760.8979 300.0988 132.5517 153.2405 762577.1046 -1.0218 -1.0301 PRESSURE: 121200 -73.0711 -92.9329 8.01091 -92.9329 -170.849 -154.135 8.01174 -154.134 -310.744 GPRESSURE: 121200 41.8941 -53.4468 137.324 20.6553 -214.601 -135.175 -82.584 -143.976 -292.86 PRESSAVG: 121200 34.5205 -42.1786 -29.8935 -42.1787 4.06923 7.26956 -29.8936 7.26958 33.9893 GPRESSAVG: 121200 35.9134 -40.7703 -29.9656 -41.188 3.39755 8.12492 -29.139 7.48284 32.958 TIMING: 121200 CPU: 381.315, 0.00313915/step Wall: 381.315, 0.00313915/step, 4.25424 hours remaining, 235.113281 MB of memory in use. ENERGY: 121200 4010.0652 20654.8218 14505.2593 275.0397 -203263.7660 2549.2432 0.0000 0.0000 52204.3796 -109064.9573 300.0193 -161269.3369 -108697.0117 300.3453 -184.8878 -155.1890 762126.6738 24.1930 24.0896 PRESSURE: 121400 -162.651 -5.73183 171.446 -5.73173 -342.531 -140.236 171.446 -140.236 -90.8575 GPRESSURE: 121400 -200.297 -15.0843 240.225 14.2549 -255.485 -115.076 172.099 -108.753 -73.042 PRESSAVG: 121400 -33.819 -37.93 18.4665 -37.9301 6.16095 -17.0224 18.4665 -17.0225 7.79197 GPRESSAVG: 121400 -33.326 -39.5735 18.6166 -40.4295 6.11623 -18.4755 19.163 -16.9463 7.12899 TIMING: 121400 CPU: 381.943, 0.00314113/step Wall: 381.943, 0.00314113/step, 4.25675 hours remaining, 235.113281 MB of memory in use. ENERGY: 121400 4045.8353 20527.7388 14467.6924 259.2101 -203278.5119 2774.0252 0.0000 0.0000 52260.3570 -108943.6531 300.3410 -161204.0101 -108589.8324 300.2738 -198.6797 -176.2746 761972.1234 -6.6220 -6.6936 PRESSURE: 121600 -406.16 129.173 -110.246 129.173 -194.811 -172.945 -110.247 -172.945 234.552 GPRESSURE: 121600 -424.538 106.478 -149.212 134.266 -117.686 -184.869 147.667 -30.7467 230.214 PRESSAVG: 121600 -17.3126 -30.7061 -25.7273 -30.7061 -9.49937 -2.17362 -25.7273 -2.17363 8.52025 GPRESSAVG: 121600 -18.4605 -28.1712 -26.9006 -32.0337 -9.13891 -3.32536 -26.6503 0.441506 8.97999 TIMING: 121600 CPU: 382.573, 0.00315051/step Wall: 382.573, 0.00315051/step, 4.26929 hours remaining, 235.113281 MB of memory in use. ENERGY: 121600 3988.6184 20520.4748 14541.2653 229.2928 -203325.9240 2536.9256 0.0000 0.0000 52290.0412 -109219.3060 300.5116 -161509.3472 -108851.9369 300.4985 -122.1398 -104.0032 762104.8725 -6.0972 -6.2065 PRESSURE: 121800 104.011 -118.913 166.112 -118.912 -11.9864 221.538 166.112 221.538 259.556 GPRESSURE: 121800 92.9956 -53.9648 172.857 -87.1417 136.927 250.231 4.03258 -33.2898 203.7 PRESSAVG: 121800 -7.72681 46.7581 -34.4548 46.7581 41.6137 -25.8606 -34.4548 -25.8605 24.1399 GPRESSAVG: 121800 -7.26876 44.2689 -33.6161 49.3657 40.4674 -23.8458 -34.6953 -29.3074 24.6107 TIMING: 121800 CPU: 383.203, 0.00315099/step Wall: 383.203, 0.00315099/step, 4.26976 hours remaining, 235.113281 MB of memory in use. ENERGY: 121800 3874.6855 20424.1505 14456.4819 254.5737 -203319.5132 2679.8603 0.0000 0.0000 52369.2163 -109260.5450 300.9666 -161629.7613 -108887.5746 300.1150 117.1935 144.5408 762670.9118 19.3423 19.2698 PRESSURE: 122000 -129.615 -34.069 -0.967542 -34.0684 288.242 13.0529 -0.966827 13.0528 -130.294 GPRESSURE: 122000 -114.09 78.3671 58.0566 -14.0599 323.799 -89.9796 86.9568 81.177 -96.4165 PRESSAVG: 122000 -12.755 15.5994 36.5404 15.5994 27.7967 -49.9878 36.5404 -49.9878 1.98425 GPRESSAVG: 122000 -12.9014 16.686 35.2797 16.5074 27.4229 -51.552 37.3534 -46.6797 2.42543 TIMING: 122000 CPU: 383.836, 0.00316304/step Wall: 383.836, 0.00316304/step, 4.28592 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 122000 3906.7136 20451.8761 14440.2115 257.4430 -203359.5357 2584.6484 0.0000 0.0000 52352.9778 -109365.6653 300.8733 -161718.6431 -108988.8557 299.4449 9.4445 37.7642 761275.9905 5.6753 5.6490 PRESSURE: 122200 -186.351 -157.826 181.705 -157.825 -235.614 -193.117 181.704 -193.118 261.091 GPRESSURE: 122200 -147.602 -104.29 166.265 -211.672 -161.78 -128.326 215.829 -97.3015 237.917 PRESSAVG: 122200 -44.4741 -45.5982 50.7509 -45.5983 59.652 -5.97154 50.7509 -5.97149 -3.63944 GPRESSAVG: 122200 -43.6665 -44.4332 49.9684 -45.4606 60.0489 -5.75505 48.9087 -7.84515 -4.8449 TIMING: 122200 CPU: 384.463, 0.00313459/step Wall: 384.463, 0.00313459/step, 4.2472 hours remaining, 235.113281 MB of memory in use. ENERGY: 122200 4046.3254 20328.6687 14439.2235 246.7087 -203147.6844 2630.7566 0.0000 0.0000 52177.0319 -109278.9696 299.8621 -161456.0014 -108924.0009 298.9864 -53.6250 -23.8214 760930.7852 3.8461 3.8458 PRESSURE: 122400 -179.846 -79.7926 -97.8015 -79.7916 242.847 -59.2441 -97.8009 -59.2449 -304.222 GPRESSURE: 122400 -235.44 -199.365 -56.4136 33.2774 343.458 -30.1034 -33.0544 -162.757 -266.237 PRESSAVG: 122400 -57.7795 2.84572 34.8411 2.84569 51.9549 -40.5444 34.841 -40.5445 -8.51042 GPRESSAVG: 122400 -58.2899 1.58161 35.2795 3.96644 50.7122 -38.945 35.521 -39.9689 -6.97305 TIMING: 122400 CPU: 385.091, 0.00314192/step Wall: 385.091, 0.00314192/step, 4.25695 hours remaining, 235.113281 MB of memory in use. ENERGY: 122400 4033.2449 20487.2409 14391.3503 252.0583 -203478.6345 2994.9990 0.0000 0.0000 52031.6131 -109288.1280 299.0264 -161319.7411 -108932.0963 299.3801 -80.4068 -52.7395 761448.2366 -4.7783 -4.8503 PRESSURE: 122600 5.55731 -68.699 11.3706 -68.6981 -83.6253 -13.0596 11.3704 -13.0597 672.045 GPRESSURE: 122600 59.5947 -185.215 18.3868 -91.938 -95.8524 31.5219 -83.0633 -50.56 713.265 PRESSAVG: 122600 -47.3574 -71.4718 2.45513 -71.4718 30.631 -51.5692 2.45518 -51.5692 -0.0629307 GPRESSAVG: 122600 -48.0055 -71.2581 4.47295 -70.8355 32.7035 -51.3649 2.7646 -52.8266 -1.98671 TIMING: 122600 CPU: 385.721, 0.0031475/step Wall: 385.721, 0.0031475/step, 4.26434 hours remaining, 235.113281 MB of memory in use. ENERGY: 122600 3960.2145 20524.7190 14398.0659 252.9759 -203311.0149 2702.7195 0.0000 0.0000 52287.9204 -109184.3998 300.4994 -161472.3202 -108817.5630 299.3947 197.9923 225.6692 761569.4748 -5.5964 -5.7629 PRESSURE: 122800 -144.471 62.6499 -52.9489 62.6495 20.503 -86.1472 -52.9495 -86.146 0.166156 GPRESSURE: 122800 -177.114 130.487 -137.875 31.9353 108.069 -104.935 -73.2679 17.0038 45.5167 PRESSAVG: 122800 0.403559 -13.571 -64.2457 -13.5711 6.8109 -24.1255 -64.2456 -24.1255 3.19391 GPRESSAVG: 122800 1.05363 -11.6281 -67.1865 -16.1857 5.38646 -23.839 -64.3057 -22.7989 4.01753 TIMING: 122800 CPU: 386.347, 0.00313005/step Wall: 386.347, 0.00313005/step, 4.24052 hours remaining, 235.113281 MB of memory in use. ENERGY: 122800 3920.3463 20399.8840 14475.4015 260.5877 -203265.0083 2772.5832 0.0000 0.0000 52213.0545 -109223.1511 300.0691 -161436.2055 -108857.9834 299.8672 -41.2674 -7.8427 762213.4210 3.4695 3.4859 PRESSURE: 123000 -163.381 -41.0939 -220.843 -41.0945 97.4811 -181.345 -220.843 -181.344 -78.8739 GPRESSURE: 123000 -217.468 15.5909 -101.364 -76.7604 139.51 -178.582 -151.773 -76.2923 -11.7459 PRESSAVG: 123000 -65.6221 -63.3652 -17.0769 -63.3652 51.3521 -45.3444 -17.0769 -45.3443 -2.17471 GPRESSAVG: 123000 -66.7999 -62.8987 -14.8456 -60.9148 52.4326 -44.8061 -19.2713 -45.3461 -3.10296 TIMING: 123000 CPU: 386.975, 0.00314034/step Wall: 386.975, 0.00314034/step, 4.25428 hours remaining, 235.113281 MB of memory in use. ENERGY: 123000 3948.5771 20378.6254 14403.2754 252.1859 -203155.0831 2756.6543 0.0000 0.0000 52085.1724 -109330.5926 299.3342 -161415.7650 -108966.4809 298.8127 -48.2580 -29.9012 762869.2762 -5.4816 -5.8234 PRESSURE: 123200 -280.342 118.865 269.631 118.865 -345.391 -52.1464 269.63 -52.1477 -170.726 GPRESSURE: 123200 -237.28 9.70246 222.644 154.189 -343.841 74.7419 223.607 -94.5818 -129.505 PRESSAVG: 123200 14.6882 1.96565 -3.52823 1.96556 -7.57968 -12.219 -3.52822 -12.219 2.7501 GPRESSAVG: 123200 14.9323 -0.258461 -2.96577 -0.243948 -8.16955 -12.5933 -1.21943 -12.7809 3.68388 TIMING: 123200 CPU: 387.602, 0.00313801/step Wall: 387.602, 0.00313801/step, 4.25096 hours remaining, 235.113281 MB of memory in use. ENERGY: 123200 3977.9736 20445.4585 14481.0788 225.1188 -202796.5686 2250.9021 0.0000 0.0000 52242.0729 -109173.9639 300.2359 -161416.0368 -108809.2949 299.5251 -265.4866 -236.8753 762931.0596 3.2862 3.4822 PRESSURE: 123400 -208.87 -137.645 18.8787 -137.645 272.591 67.3453 18.8784 67.3456 163.025 GPRESSURE: 123400 -174.989 -187.392 47.5053 -41.9087 310.192 186.752 0.275819 14.8458 189.673 PRESSAVG: 123400 -48.6401 -13.9303 -30.1867 -13.9303 54.0537 -8.93421 -30.1867 -8.93417 10.5338 GPRESSAVG: 123400 -48.2751 -10.7473 -33.0437 -13.5122 54.1864 -9.93074 -30.3258 -12.3057 9.36519 TIMING: 123400 CPU: 388.231, 0.0031423/step Wall: 388.231, 0.0031423/step, 4.2566 hours remaining, 235.113281 MB of memory in use. ENERGY: 123400 4025.7136 20472.7857 14486.3696 242.3529 -203374.1134 2794.3661 0.0000 0.0000 52172.0906 -109180.4349 299.8337 -161352.5255 -108819.9103 299.6562 75.5819 108.2922 760618.8487 5.3158 5.0921 PRESSURE: 123600 -12.4281 -52.9583 -165.705 -52.958 -146.612 4.89052 -165.705 4.89114 -100.626 GPRESSURE: 123600 -17.8625 1.14776 -160.739 -70.5683 -34.8523 -25.188 -144.53 95.2136 -114.12 PRESSAVG: 123600 -56.779 -47.3128 22.5054 -47.3128 25.3253 9.97285 22.5055 9.97283 -4.71245 GPRESSAVG: 123600 -57.4494 -50.6305 24.4986 -45.2556 25.1785 11.2491 23.2799 12.8057 -4.15774 TIMING: 123600 CPU: 388.854, 0.00311504/step Wall: 388.854, 0.00311504/step, 4.21949 hours remaining, 235.113281 MB of memory in use. ENERGY: 123600 3980.6756 20481.0254 14430.7076 245.5318 -203101.1857 2504.5073 0.0000 0.0000 52195.5465 -109263.1916 299.9685 -161458.7380 -108900.2831 299.5200 -86.5552 -55.6116 762554.3395 -12.0554 -12.1429 PRESSURE: 123800 -166.827 89.4808 63.1244 89.4805 343.834 -38.4187 63.1255 -38.4179 152.087 GPRESSURE: 123800 -38.4237 69.8293 50.4675 -29.7959 321.454 -47.4334 135.774 29.9969 132.786 PRESSAVG: 123800 6.88124 -23.3738 -24.4006 -23.3738 31.7193 8.89165 -24.4006 8.89163 -9.40696 GPRESSAVG: 123800 8.18839 -22.0126 -23.4957 -26.8215 30.8934 8.22694 -25.8394 8.90245 -9.6549 TIMING: 123800 CPU: 389.478, 0.00311939/step Wall: 389.478, 0.00311939/step, 4.22521 hours remaining, 235.113281 MB of memory in use. ENERGY: 123800 3977.8181 20472.5774 14437.9395 242.0876 -202995.0595 2464.4974 0.0000 0.0000 52072.5821 -109327.5574 299.2618 -161400.1396 -108964.5490 299.3483 109.6980 138.6057 761130.2694 9.7312 9.8090 PRESSURE: 124000 128.393 17.6683 104.583 17.6682 176.458 -56.9421 104.582 -56.9416 386.147 GPRESSURE: 124000 175.596 123.933 33.3895 79.8388 216.691 -9.52984 21.037 -73.0644 373.997 PRESSAVG: 124000 -45.4345 39.8496 -46.8737 39.8496 19.9308 -22.2229 -46.8737 -22.2229 5.92799 GPRESSAVG: 124000 -44.8357 40.8853 -47.8793 41.16 20.6127 -22.861 -45.6174 -21.3467 5.09256 TIMING: 124000 CPU: 390.106, 0.0031427/step Wall: 390.106, 0.0031427/step, 4.25661 hours remaining, 235.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 124000 3974.6281 20417.9305 14538.1785 227.2701 -203488.2396 2698.9200 0.0000 0.0000 52119.7408 -109511.5717 299.5329 -161631.3125 -109146.8501 298.8776 230.3328 255.4280 761204.1218 -6.5252 -6.3768 PRESSURE: 124200 230.424 -75.3784 46.5353 -75.3787 -64.4433 237.666 46.5357 237.667 -382.176 GPRESSURE: 124200 239.416 -9.02469 4.33621 64.9715 -43.4018 207.505 0.193345 169.358 -344.466 PRESSAVG: 124200 -29.9614 20.8364 -2.49709 20.8363 -3.10504 -18.5649 -2.49709 -18.5649 -21.8548 GPRESSAVG: 124200 -32.1774 19.9422 -3.09161 21.9032 -2.8463 -18.6452 -3.06571 -17.7087 -20.4568 TIMING: 124200 CPU: 390.737, 0.00315134/step Wall: 390.737, 0.00315134/step, 4.26813 hours remaining, 235.113281 MB of memory in use. ENERGY: 124200 4003.7525 20503.5253 14494.3075 232.1875 -202640.9417 2106.4179 0.0000 0.0000 51873.2892 -109427.4618 298.1165 -161300.7511 -109072.4530 298.9201 -72.0650 -49.4840 761201.7441 -18.3071 -18.4935 LDB: ============= START OF LOAD BALANCING ============== 403.187 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 403.187 LDB: =============== DONE WITH MIGRATION ================ 403.188 LDB: ============= START OF LOAD BALANCING ============== 403.504 LDB: Largest compute 7077 load 0.037413 is 19.2% of average load 0.194781 LDB: Average compute 0.004376 is 2.2% of average load 0.194781 LDB: TIME 403.508 LOAD: AVG 0.194781 MAX 0.211249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.625 MB LDB: TIME 403.508 LOAD: AVG 0.194781 MAX 0.211249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 403.508 LOAD: AVG 0.194781 MAX 0.211249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 403.511 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 403.515 PRESSURE: 124400 59.4703 -104.148 -29.0053 -104.149 120.723 -176.571 -29.0055 -176.572 204.493 GPRESSURE: 124400 74.4931 -81.4269 -55.9312 -86.4964 200.828 -233.22 -12.8408 10.6579 191.742 PRESSAVG: 124400 -38.6156 -35.2089 -3.60878 -35.2089 1.95862 -4.55582 -3.60875 -4.55573 11.6704 GPRESSAVG: 124400 -38.5255 -34.5808 -2.52284 -34.9207 1.84708 -4.22824 -5.20232 -4.32805 11.6296 TIMING: 124400 CPU: 391.379, 0.003214/step Wall: 391.379, 0.003214/step, 4.35282 hours remaining, 234.785156 MB of memory in use. ENERGY: 124400 3965.7019 20483.1366 14401.1425 242.9589 -203431.7933 2771.9490 0.0000 0.0000 52072.0895 -109494.8149 299.2590 -161566.9045 -109132.1231 298.7818 128.2287 155.6877 762023.6766 -8.3289 -8.3496 PRESSURE: 124600 -135.362 -58.9743 -56.6818 -58.974 -105.999 157.511 -56.6821 157.511 -84.1169 GPRESSURE: 124600 -81.4085 -94.7551 -91.7904 10.2512 -77.828 103.237 -92.9976 147.43 -99.3 PRESSAVG: 124600 -17.0708 11.6574 -19.7787 11.6573 78.9601 11.3419 -19.7787 11.3419 30.9586 GPRESSAVG: 124600 -15.6178 10.8411 -21.5656 9.44602 79.2505 9.94922 -18.0721 9.86918 29.7335 TIMING: 124600 CPU: 392.007, 0.00313704/step Wall: 392.007, 0.00313704/step, 4.24842 hours remaining, 234.785156 MB of memory in use. ENERGY: 124600 3965.2201 20631.4558 14439.0597 247.3311 -203637.7404 2750.0686 0.0000 0.0000 52178.2340 -109426.3712 299.8690 -161604.6051 -109067.5936 298.8458 -108.4927 -86.1788 763702.5748 30.9493 31.1221 PRESSURE: 124800 -523.371 -61.9498 -12.7838 -61.9498 238.793 -19.8273 -12.7839 -19.8274 358.827 GPRESSURE: 124800 -359.844 -83.8066 -113.519 -96.0817 96.4541 63.3719 67.3475 -65.7417 411.158 PRESSAVG: 124800 12.3239 -11.4121 -43.0795 -11.4121 43.6776 -12.653 -43.0795 -12.653 18.7062 GPRESSAVG: 124800 12.4709 -10.5411 -40.3745 -9.58184 42.9801 -12.9087 -44.5595 -10.6366 19.4557 TIMING: 124800 CPU: 392.64, 0.00316572/step Wall: 392.64, 0.00316572/step, 4.28709 hours remaining, 234.785156 MB of memory in use. ENERGY: 124800 4014.2378 20436.7094 14450.3859 251.0979 -203575.9685 2834.5665 0.0000 0.0000 52010.5370 -109578.4340 298.9053 -161588.9710 -109213.8066 298.8333 24.7497 49.2560 763321.6312 24.9025 24.9689 PRESSURE: 125000 96.9864 -88.7229 -33.6219 -88.7236 -48.3168 -82.0641 -33.6226 -82.0641 129.949 GPRESSURE: 125000 73.8763 -133.429 -61.0862 20.5909 83.8136 -95.6513 13.4948 -52.0602 104.043 PRESSAVG: 125000 -33.1036 -22.642 -79.0059 -22.6419 20.8294 -12.2633 -79.0059 -12.2635 0.0882255 GPRESSAVG: 125000 -33.4622 -22.8219 -79.0407 -24.2569 21.4663 -10.7885 -76.7369 -14.8497 0.340159 TIMING: 125000 CPU: 393.268, 0.00314056/step Wall: 393.268, 0.00314056/step, 4.25285 hours remaining, 234.785156 MB of memory in use. ENERGY: 125000 4036.4222 20586.9100 14516.2292 249.4329 -203674.3873 2730.6386 0.0000 0.0000 51822.7513 -109732.0031 297.8261 -161554.7544 -109380.7345 298.4510 59.5394 87.2443 760997.5805 -4.0620 -3.8852 PRESSURE: 125200 -179.56 -105.052 126.541 -105.052 21.1212 -81.3399 126.541 -81.3394 -133.225 GPRESSURE: 125200 -130.574 -161.574 137.361 -51.6161 38.8431 -106.531 48.5012 -79.1615 -137.121 PRESSAVG: 125200 -57.2135 -35.0485 -3.30291 -35.0486 85.7278 36.1509 -3.30297 36.1508 23.9047 GPRESSAVG: 125200 -57.508 -36.0684 -4.17345 -33.9478 86.0203 35.8783 -6.08057 35.7682 23.287 TIMING: 125200 CPU: 393.9, 0.00315845/step Wall: 393.9, 0.00315845/step, 4.27689 hours remaining, 234.785156 MB of memory in use. ENERGY: 125200 4023.5516 20421.6146 14539.2752 240.4045 -203063.1802 2337.6840 0.0000 0.0000 51785.5112 -109715.1391 297.6120 -161500.6503 -109358.4286 298.1945 -97.2211 -76.2838 762080.0774 17.4730 17.2665 PRESSURE: 125400 -128.014 120.14 -137.846 120.139 406.076 -147.994 -137.847 -147.994 -434.363 GPRESSURE: 125400 -147.876 96.2259 -197.077 106.645 446.706 -121.751 -34.2523 -173.743 -359.6 PRESSAVG: 125400 -52.8833 -37.8135 -0.504955 -37.8135 121.855 52.3177 -0.504945 52.3176 -8.25188 GPRESSAVG: 125400 -52.8208 -35.9401 -0.995721 -38.2703 121.34 52.5753 0.62361 53.0346 -8.06509 TIMING: 125400 CPU: 394.534, 0.00317146/step Wall: 394.534, 0.00317146/step, 4.29433 hours remaining, 234.785156 MB of memory in use. ENERGY: 125400 3903.4163 20583.7429 14558.3999 248.5693 -203738.9341 2839.1912 0.0000 0.0000 52031.1171 -109574.4975 299.0235 -161605.6146 -109218.7597 298.5904 -52.1002 -20.2565 761507.1307 20.2398 20.1513 PRESSURE: 125600 12.0113 20.9376 36.4737 20.9367 -92.7965 -135.502 36.4737 -135.503 -4.03328 GPRESSURE: 125600 37.8887 27.5014 -12.4318 -44.5593 -93.0719 -174.58 105.619 -90.5467 54.642 PRESSAVG: 125600 -23.531 -25.2932 -23.8689 -25.2933 15.2664 27.1135 -23.8689 27.1135 -0.415655 GPRESSAVG: 125600 -24.4384 -25.4391 -24.1606 -24.6026 15.4376 27.2689 -21.8168 27.8698 0.608432 TIMING: 125600 CPU: 395.167, 0.0031647/step Wall: 395.167, 0.0031647/step, 4.285 hours remaining, 234.785156 MB of memory in use. ENERGY: 125600 3911.5277 20328.8577 14477.5891 240.5014 -203423.1549 2728.1481 0.0000 0.0000 51963.7672 -109772.7636 298.6365 -161736.5308 -109417.0455 298.5489 -28.2728 -0.1804 760362.0880 -2.8934 -2.7974 PRESSURE: 125800 -315.718 -95.0579 -24.0476 -95.0574 69.4274 -16.7241 -24.0476 -16.724 12.7772 GPRESSURE: 125800 -148.939 -120.709 15.9556 -125.248 3.18042 36.0453 65.6828 90.4286 -28.7716 PRESSAVG: 125800 16.3833 -13.1921 -18.4021 -13.1921 31.4275 -19.9621 -18.4021 -19.9621 18.0542 GPRESSAVG: 125800 17.3842 -13.6711 -16.7088 -14.2018 31.5193 -20.98 -20.8502 -22.1463 16.9367 TIMING: 125800 CPU: 395.805, 0.00318789/step Wall: 395.805, 0.00318789/step, 4.31623 hours remaining, 234.785156 MB of memory in use. ENERGY: 125800 4002.4845 20553.0032 14478.9358 250.2808 -203735.1568 2853.1897 0.0000 0.0000 52054.9144 -109542.3485 299.1603 -161597.2628 -109189.2238 298.7655 -77.8379 -58.1766 761852.0649 21.9550 21.9467 PRESSURE: 126000 -264.632 143.084 72.0747 143.085 -238.676 -245.356 72.0748 -245.357 -149.117 GPRESSURE: 126000 -139.265 89.219 -55.9174 204.479 -201.229 -302.575 75.8083 -254.001 -232.912 PRESSAVG: 126000 -41.6188 32.2873 13.3237 32.2873 62.0454 11.5709 13.3237 11.5709 -5.11917 GPRESSAVG: 126000 -41.6596 32.8243 11.9302 31.8151 61.0901 11.4923 13.9777 14.1117 -3.92358 TIMING: 126000 CPU: 396.439, 0.00317099/step Wall: 396.439, 0.00317099/step, 4.29317 hours remaining, 234.785156 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: 126000 4001.5199 20427.4958 14481.4158 225.6059 -203193.3043 2411.3381 0.0000 0.0000 52062.8880 -109583.0407 299.2061 -161645.9288 -109212.9988 298.3185 -217.4750 -191.1354 762162.6443 5.1025 5.1690 PRESSURE: 126200 -286.301 -13.1225 70.8315 -13.1219 -394.746 120.225 70.8319 120.226 131.099 GPRESSURE: 126200 -290.868 -0.773079 84.3531 -9.23221 -318.591 149.558 198.453 58.1685 146.145 PRESSAVG: 126200 0.286082 12.0561 -23.6304 12.0561 -9.52799 15.6596 -23.6304 15.6596 39.6972 GPRESSAVG: 126200 0.994681 12.1671 -23.0374 11.7972 -10.3236 16.8021 -24.981 14.8301 39.28 TIMING: 126200 CPU: 397.067, 0.00313904/step Wall: 397.067, 0.00313904/step, 4.24974 hours remaining, 234.785156 MB of memory in use. ENERGY: 126200 3957.8107 20288.5670 14503.7829 253.8379 -203543.7552 2703.8771 0.0000 0.0000 52254.2985 -109581.5811 300.3062 -161835.8797 -109225.2489 298.7142 -183.3159 -154.4380 762198.9516 10.1518 9.9837 PRESSURE: 126400 60.3047 -18.7341 -191.143 -18.7351 4.51211 -370.402 -191.143 -370.401 171.414 GPRESSURE: 126400 -31.3495 55.1 -125.266 7.8573 129.04 -275.604 -191.405 -310.322 237.793 PRESSAVG: 126400 -30.9005 39.1383 4.97447 39.1384 13.4279 -10.0531 4.97453 -10.0531 -8.96313 GPRESSAVG: 126400 -31.5764 39.8938 2.84565 39.7236 15.312 -9.87501 6.05916 -8.76934 -10.3327 TIMING: 126400 CPU: 397.695, 0.00314084/step Wall: 397.695, 0.00314084/step, 4.252 hours remaining, 234.785156 MB of memory in use. ENERGY: 126400 3915.4327 20429.8342 14438.6451 226.8424 -203028.8132 2731.5579 0.0000 0.0000 51899.7039 -109386.7970 298.2683 -161286.5009 -109020.1263 298.7615 78.7436 111.8279 763500.0693 -8.8119 -8.8657 PRESSURE: 126600 52.0032 202.641 30.4139 202.641 150.579 391.409 30.4138 391.409 174.613 GPRESSURE: 126600 131.645 62.1149 40.3309 137.377 151.046 407.186 39.6617 299.581 197.786 PRESSAVG: 126600 -14.9178 21.2331 -28.8031 21.2331 40.7966 32.8252 -28.8031 32.8253 8.06818 GPRESSAVG: 126600 -14.959 18.102 -26.624 21.8335 40.1336 33.3927 -27.9688 31.851 8.74736 TIMING: 126600 CPU: 398.329, 0.00317049/step Wall: 398.329, 0.00317049/step, 4.29196 hours remaining, 234.785156 MB of memory in use. ENERGY: 126600 3957.0585 20352.7216 14587.3165 254.4312 -203155.6563 2333.8640 0.0000 0.0000 52125.4676 -109544.7969 299.5658 -161670.2645 -109183.6515 298.6759 125.7320 160.1588 761542.9408 11.3157 11.3073 PRESSURE: 126800 -392.155 129.949 -251.19 129.948 -50.2843 180.417 -251.19 180.418 -167.86 GPRESSURE: 126800 -330.076 46.6155 -169.446 128.775 -50.687 180.14 -195.244 39.7111 -143.464 PRESSAVG: 126800 10.7148 2.4897 -0.09708 2.48971 -11.8172 11.8752 -0.0970663 11.8753 17.0363 GPRESSAVG: 126800 11.1326 2.82575 -1.30962 2.8251 -12.7563 9.94381 0.63866 13.4683 17.7288 TIMING: 126800 CPU: 398.963, 0.00317102/step Wall: 398.963, 0.00317102/step, 4.29251 hours remaining, 234.785156 MB of memory in use. ENERGY: 126800 3988.5545 20350.3983 14510.0309 240.2686 -202959.7129 2348.9308 0.0000 0.0000 52132.7044 -109388.8253 299.6074 -161521.5297 -109023.5751 298.8313 -203.4331 -174.7424 761459.6802 5.3113 5.3683 PRESSURE: 127000 13.8754 95.8982 -63.5275 95.8981 -1.16373 61.7659 -63.5274 61.7663 -69.277 GPRESSURE: 127000 16.8459 131.771 -52.5987 -95.5336 59.9423 83.3962 -12.2412 156.057 -57.5887 PRESSAVG: 127000 -5.45733 -46.2521 5.25372 -46.2521 -20.3198 25.9182 5.25372 25.9182 -6.49968 GPRESSAVG: 127000 -4.96059 -44.0326 5.96513 -47.0444 -20.7599 26.6371 3.65381 24.2697 -6.2029 TIMING: 127000 CPU: 399.596, 0.00316292/step Wall: 399.596, 0.00316292/step, 4.28136 hours remaining, 234.785156 MB of memory in use. ENERGY: 127000 3923.8279 20505.6815 14513.3744 246.5620 -203304.1325 2417.3613 0.0000 0.0000 52112.8774 -109584.4480 299.4934 -161697.3255 -109219.2598 299.1564 -18.8551 6.3998 761188.3076 -10.7589 -10.6411 PRESSURE: 127200 -255.31 -19.5538 -107.179 -19.5541 126.316 209.531 -107.179 209.53 420.883 GPRESSURE: 127200 -165.928 -45.0134 52.9005 -32.0717 105.869 247.901 -233.266 182.296 407.124 PRESSAVG: 127200 -44.0764 -12.6275 -65.294 -12.6274 1.01787 41.5769 -65.294 41.5769 -19.6323 GPRESSAVG: 127200 -44.9633 -14.9537 -62.2413 -12.0173 2.39517 43.1958 -66.4297 39.7094 -20.3634 TIMING: 127200 CPU: 400.228, 0.00316308/step Wall: 400.228, 0.00316308/step, 4.28141 hours remaining, 234.785156 MB of memory in use. ENERGY: 127200 3988.1241 20555.8055 14564.4752 256.8828 -202937.5576 2217.0668 0.0000 0.0000 51930.2553 -109424.9479 298.4439 -161355.2032 -109068.3748 298.9902 97.2961 115.6882 760290.0511 -20.8969 -20.9772 PRESSURE: 127400 51.6769 -111.593 -147.272 -111.594 -168.369 -63.0978 -147.273 -63.0977 55.7675 GPRESSURE: 127400 167.608 -158.723 -97.2679 17.5621 -95.4798 -97.0873 -85.1839 -66.6096 -40.4245 PRESSAVG: 127400 -0.0802363 -82.5286 -29.6724 -82.5287 8.81574 58.042 -29.6724 58.0419 -11.1133 GPRESSAVG: 127400 0.307867 -80.0328 -31.9634 -83.0837 8.62852 57.0209 -28.4809 58.7863 -11.5184 TIMING: 127400 CPU: 400.856, 0.00313773/step Wall: 400.856, 0.00313773/step, 4.24691 hours remaining, 234.785156 MB of memory in use. ENERGY: 127400 4062.5623 20532.0440 14503.4821 232.3612 -203367.9384 2698.8459 0.0000 0.0000 51825.0188 -109513.6241 297.8391 -161338.6428 -109154.4476 298.4793 -20.3081 10.5678 761579.8813 -0.7926 -0.8607 PRESSURE: 127600 -95.0849 -317.055 102.344 -317.054 167.222 -73.1705 102.342 -73.1701 23.3587 GPRESSURE: 127600 -23.5499 -265.176 75.1063 -277.349 215.096 -62.006 93.3338 -143.12 -13.619 PRESSAVG: 127600 24.664 -24.4781 3.61672 -24.478 11.6294 3.18246 3.61671 3.18236 18.2686 GPRESSAVG: 127600 24.6934 -26.7623 2.81212 -24.2361 11.0507 3.14329 4.15316 5.02449 19.2469 TIMING: 127600 CPU: 401.484, 0.00313981/step Wall: 401.484, 0.00313981/step, 4.24956 hours remaining, 234.785156 MB of memory in use. ENERGY: 127600 3933.7877 20436.2686 14456.9288 254.1817 -203344.3603 2713.3644 0.0000 0.0000 52111.6862 -109438.1429 299.4866 -161549.8291 -109076.5027 298.4981 31.8319 59.3091 759510.8650 18.1873 18.3303 PRESSURE: 127800 -290.429 -51.3049 -66.4128 -51.3044 8.7018 93.9258 -66.4124 93.9238 -123.928 GPRESSURE: 127800 -202.056 8.45422 -19.4823 -63.2535 -108.136 -24.9572 -8.17469 54.0094 -15.5643 PRESSAVG: 127800 6.5256 -31.744 -22.679 -31.744 1.17498 38.8095 -22.679 38.8095 7.93268 GPRESSAVG: 127800 5.98669 -28.4163 -22.9222 -32.0615 0.489305 38.2507 -21.7012 38.5962 8.34388 TIMING: 127800 CPU: 402.114, 0.00314899/step Wall: 402.114, 0.00314899/step, 4.26181 hours remaining, 234.785156 MB of memory in use. ENERGY: 127800 4052.7677 20525.0710 14500.1458 238.9785 -203069.6356 2531.5936 0.0000 0.0000 51943.0812 -109277.9978 298.5176 -161221.0789 -108908.0547 299.1702 -135.2184 -108.5853 760325.3358 5.2111 4.9400 PRESSURE: 128000 -104.169 1.89861 -42.36 1.89884 -230.682 -274.382 -42.3598 -274.382 -74.1686 GPRESSURE: 128000 -144.25 13.8029 -9.60122 75.8446 -194.009 -266.792 -101.411 -215.642 41.9693 PRESSAVG: 128000 28.0441 21.6683 -19.5098 21.6683 33.4453 -13.1991 -19.5098 -13.1991 1.10777 GPRESSAVG: 128000 28.5026 20.5304 -19.1885 21.8893 34.1052 -11.6079 -21.1459 -14.5698 -0.00484578 TIMING: 128000 CPU: 402.747, 0.00316518/step Wall: 402.747, 0.00316518/step, 4.28354 hours remaining, 234.785156 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: 128000 3981.2191 20453.5939 14537.2438 248.5904 -203155.2013 2784.6883 0.0000 0.0000 52200.3879 -108949.4779 299.9963 -161149.8658 -108586.6099 299.6668 -136.3399 -98.7632 761430.5732 20.8657 20.8677 PRESSURE: 128200 -99.7501 -109.026 177.092 -109.026 -201.108 -107.539 177.093 -107.538 -151.023 GPRESSURE: 128200 -116.606 -115.549 158.998 -83.7218 -184.954 -62.109 316.467 -182.256 -80.2748 PRESSAVG: 128200 -75.3344 -6.07684 -35.1353 -6.07685 73.6595 -4.70604 -35.1354 -4.70604 0.292812 GPRESSAVG: 128200 -73.8746 -6.92945 -35.0938 -4.69109 72.7093 -5.58722 -34.2966 -2.93229 -0.258078 TIMING: 128200 CPU: 403.379, 0.00316366/step Wall: 403.379, 0.00316366/step, 4.28131 hours remaining, 234.785156 MB of memory in use. ENERGY: 128200 4007.0699 20488.9111 14489.1088 245.2408 -202716.1841 2261.9648 0.0000 0.0000 52197.6551 -109026.2336 299.9806 -161223.8887 -108661.3453 299.5662 -150.6272 -127.2781 762519.1973 -0.4607 -0.4745 LDB: ============= START OF LOAD BALANCING ============== 415.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 415.83 LDB: =============== DONE WITH MIGRATION ================ 415.831 LDB: ============= START OF LOAD BALANCING ============== 416.148 LDB: Largest compute 7077 load 0.036885 is 18.9% of average load 0.194728 LDB: Average compute 0.004383 is 2.3% of average load 0.194728 LDB: TIME 416.151 LOAD: AVG 0.194728 MAX 0.213663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.785 MB LDB: TIME 416.152 LOAD: AVG 0.194728 MAX 0.213663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: TIME 416.152 LOAD: AVG 0.194728 MAX 0.213663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: ============== END OF LOAD BALANCING =============== 416.154 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 416.158 PRESSURE: 128400 109.857 176.334 -100.65 176.334 28.4745 -17.7588 -100.649 -17.7601 -46.2784 GPRESSURE: 128400 159.656 171.527 -95.3663 241.487 49.1971 75.365 -91.1756 -40.7606 -33.5692 PRESSAVG: 128400 -25.7756 -22.86 -7.06823 -22.86 41.0694 -26.8136 -7.06828 -26.8137 -2.03863 GPRESSAVG: 128400 -26.4645 -23.8635 -7.90119 -21.722 41.7956 -26.876 -7.13775 -28.945 -1.99958 TIMING: 128400 CPU: 404.023, 0.00321578/step Wall: 404.023, 0.00321578/step, 4.35166 hours remaining, 235.304688 MB of memory in use. ENERGY: 128400 4072.7074 20577.1299 14562.6343 253.7051 -202972.6488 2608.4103 0.0000 0.0000 52104.4167 -108793.6450 299.4448 -160898.0618 -108441.3710 300.1250 30.6843 58.4281 762593.4975 4.4184 4.4438 PRESSURE: 128600 -42.366 -152.149 23.316 -152.148 222.722 106.345 23.3165 106.345 71.1182 GPRESSURE: 128600 -41.0718 -147.319 -1.23303 -62.0241 250.903 100.273 49.9388 64.3925 122.072 PRESSAVG: 128600 -27.7123 11.9315 19.0601 11.9315 69.6725 -15.0866 19.06 -15.0866 -1.23644 GPRESSAVG: 128600 -28.3036 13.4995 19.6684 11.2942 69.836 -15.6796 16.6435 -16.0536 -0.523379 TIMING: 128600 CPU: 404.654, 0.00315666/step Wall: 404.654, 0.00315666/step, 4.27148 hours remaining, 235.507812 MB of memory in use. ENERGY: 128600 4073.4900 20621.3045 14506.9657 249.2211 -203075.9633 2615.7093 0.0000 0.0000 52108.4632 -108900.8096 299.4681 -161009.2727 -108547.0459 300.1533 83.8246 110.6344 762572.8745 13.5746 13.6697 PRESSURE: 128800 30.9225 258.424 -168.694 258.424 233.09 -230.683 -168.694 -230.684 211.455 GPRESSURE: 128800 91.0801 173.805 -76.9788 180.796 324.093 -167.697 -68.6589 -246.869 153.129 PRESSAVG: 128800 -22.6816 -38.3858 -36.2932 -38.3858 40.4956 -39.7414 -36.2932 -39.7414 11.5225 GPRESSAVG: 128800 -22.9331 -40.053 -35.9042 -38.8668 41.2705 -37.0728 -35.6212 -39.2871 11.1063 TIMING: 128800 CPU: 405.285, 0.00315545/step Wall: 405.285, 0.00315545/step, 4.26968 hours remaining, 235.507812 MB of memory in use. ENERGY: 128800 4028.1956 20477.5124 14519.0052 241.1014 -203553.3015 2919.1532 0.0000 0.0000 52370.5969 -108997.7366 300.9745 -161368.3336 -108640.7103 300.2704 158.4890 189.4340 761087.8758 9.7788 9.8146 PRESSURE: 129000 5.75661 164.243 275.284 164.243 509.598 -6.98186 275.284 -6.98254 -32.8583 GPRESSURE: 129000 44.1174 108.039 309.608 75.2278 393.349 34.4323 289.922 -23.6313 123.502 PRESSAVG: 129000 11.2099 29.623 48.0552 29.623 -5.17142 -35.3912 48.0552 -35.3912 -20.788 GPRESSAVG: 129000 10.6159 30.1624 46.2572 29.6417 -5.45838 -36.698 49.6556 -33.2091 -20.072 TIMING: 129000 CPU: 405.92, 0.00317321/step Wall: 405.92, 0.00317321/step, 4.29353 hours remaining, 235.507812 MB of memory in use. ENERGY: 129000 3981.0718 20444.3056 14509.6807 251.1155 -203119.1841 2616.3294 0.0000 0.0000 52127.5819 -109189.0991 299.5779 -161316.6810 -108825.9751 300.2096 160.8320 186.9894 762534.3729 -4.9165 -4.9715 PRESSURE: 129200 70.7739 9.37901 -39.7834 9.37886 135.055 228.047 -39.7841 228.047 211.117 GPRESSURE: 129200 101.174 -107.771 -147.253 -8.3515 184.203 256.455 72.047 158.477 210.169 PRESSAVG: 129200 -13.3531 22.0279 51.4246 22.0279 11.9439 25.3421 51.4246 25.342 2.03631 GPRESSAVG: 129200 -13.5562 21.5214 51.1237 20.2889 11.2384 27.7499 51.3865 22.405 3.07827 TIMING: 129200 CPU: 406.557, 0.00318605/step Wall: 406.557, 0.00318605/step, 4.31073 hours remaining, 235.507812 MB of memory in use. ENERGY: 129200 3886.3326 20383.7823 14478.0935 242.0826 -202761.9894 2387.2737 0.0000 0.0000 52130.5016 -109253.9231 299.5947 -161384.4246 -108894.3039 298.9021 138.9818 165.1819 762920.0580 0.2091 0.2535 PRESSURE: 129400 -269.319 86.1018 13.8919 86.1018 -18.0189 -12.8301 13.8921 -12.83 -5.44021 GPRESSURE: 129400 -235.235 73.7708 1.80009 17.7281 -85.6912 128.241 52.2498 -104.584 137.235 PRESSAVG: 129400 -34.4305 -57.943 -28.7038 -57.943 56.9959 22.9042 -28.7038 22.9042 0.564623 GPRESSAVG: 129400 -35.0342 -57.4798 -26.4655 -55.0898 57.2881 19.2662 -29.2909 24.7962 0.73403 TIMING: 129400 CPU: 407.189, 0.0031634/step Wall: 407.189, 0.0031634/step, 4.2799 hours remaining, 235.507812 MB of memory in use. ENERGY: 129400 3918.2230 20486.2582 14553.7982 250.5420 -202874.9990 2431.9892 0.0000 0.0000 52100.5533 -109133.6352 299.4226 -161234.1885 -108773.6252 299.3829 -97.5926 -61.2303 761785.5495 7.7100 7.6626 PRESSURE: 129600 -138.175 -43.5826 -21.7622 -43.5821 -186.487 64.0293 -21.7614 64.0296 136.992 GPRESSURE: 129600 -110.309 -59.0086 -12.0703 -125.079 -161.054 39.4718 29.1856 -18.762 191.662 PRESSAVG: 129600 25.8258 -24.5097 24.337 -24.5097 -12.9395 42.6525 24.3369 42.6525 11.7149 GPRESSAVG: 129600 26.7423 -24.4105 23.4535 -26.7703 -13.15 43.9471 23.1675 42.3765 11.3669 TIMING: 129600 CPU: 407.82, 0.0031527/step Wall: 407.82, 0.0031527/step, 4.26525 hours remaining, 235.507812 MB of memory in use. ENERGY: 129600 4071.5749 20480.7306 14525.5398 244.8797 -203149.7154 2643.0026 0.0000 0.0000 52016.5388 -109167.4490 298.9398 -161183.9878 -108812.9323 299.0497 -62.5567 -26.5670 762138.5098 8.2004 8.3197 PRESSURE: 129800 84.6742 141.854 -158.217 141.855 142.802 -169.802 -158.216 -169.802 345.262 GPRESSURE: 129800 41.5978 297.916 -106.853 110.789 333.743 -160.353 -63.042 -186.742 276.734 PRESSAVG: 129800 -27.338 -26.6731 -11.3969 -26.673 -9.7364 -13.4801 -11.3969 -13.4801 6.47741 GPRESSAVG: 129800 -27.0601 -25.3642 -10.2483 -26.1491 -8.82831 -15.6381 -11.0488 -13.8368 5.48585 TIMING: 129800 CPU: 408.451, 0.00315642/step Wall: 408.451, 0.00315642/step, 4.27011 hours remaining, 235.507812 MB of memory in use. ENERGY: 129800 4009.2605 20493.6644 14587.4419 249.5374 -203318.3771 2850.3402 0.0000 0.0000 52102.6479 -109025.4849 299.4346 -161128.1328 -108680.0459 300.0963 190.9128 217.3583 762518.3025 -10.1990 -10.1342 PRESSURE: 130000 383.805 -102.54 -165.29 -102.54 16.3649 -50.5753 -165.292 -50.5756 209.926 GPRESSURE: 130000 414.104 -129.322 -148.462 -142.217 84.483 -39.824 -154.96 -31.8851 194.213 PRESSAVG: 130000 3.0796 -95.1865 29.2822 -95.1865 -41.2589 5.90032 29.2822 5.90028 -0.996557 GPRESSAVG: 130000 3.388 -97.3999 29.0186 -93.8108 -41.5603 7.47659 28.2303 6.48591 -0.578402 TIMING: 130000 CPU: 409.084, 0.00316205/step Wall: 409.084, 0.00316205/step, 4.27755 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: 130000 4017.7443 20630.7132 14540.6704 246.8944 -203360.4547 2838.5944 0.0000 0.0000 52289.6684 -108796.1696 300.5094 -161085.8381 -108434.9636 300.1511 203.3652 230.9333 761960.5136 -13.0586 -12.9169 PRESSURE: 130200 -83.6577 66.8495 113.179 66.8496 215.886 -116.676 113.179 -116.676 143.7 GPRESSURE: 130200 0.8212 163.117 117.481 11.3766 187.904 -87.4199 118.976 -143.966 177.312 PRESSAVG: 130200 31.9774 -67.3241 0.916329 -67.3241 -53.311 -19.8391 0.916344 -19.8391 -6.42508 GPRESSAVG: 130200 31.5604 -64.6971 0.90838 -68.5849 -53.232 -19.7656 3.23806 -21.2511 -6.55057 TIMING: 130200 CPU: 409.722, 0.00318936/step Wall: 409.722, 0.00318936/step, 4.31432 hours remaining, 235.507812 MB of memory in use. ENERGY: 130200 3979.5652 20555.5607 14476.3255 247.9617 -202817.0418 2465.2599 0.0000 0.0000 52222.2323 -108870.1366 300.1219 -161092.3689 -108513.4454 300.5638 91.9761 122.0123 762895.1506 -9.2529 -9.4074 PRESSURE: 130400 -25.962 -2.23904 -159.055 -2.23913 -247.361 -185.195 -159.056 -185.196 -214.873 GPRESSURE: 130400 84.7016 -8.16839 -170.814 21.015 -236.434 -233.863 -120.938 -123.62 -217.072 PRESSAVG: 130400 -24.019 -20.0056 53.3131 -20.0056 23.8401 -34.5609 53.3131 -34.561 -13.6068 GPRESSAVG: 130400 -24.3807 -19.1658 52.1936 -20.3115 23.6729 -33.0199 51.8603 -35.0568 -13.1954 TIMING: 130400 CPU: 410.362, 0.00320197/step Wall: 410.362, 0.00320197/step, 4.3312 hours remaining, 235.507812 MB of memory in use. ENERGY: 130400 3982.8623 20672.1175 14471.6381 266.3846 -203092.1178 2591.2848 0.0000 0.0000 52206.2902 -108901.5403 300.0303 -161107.8306 -108536.8519 300.2497 -162.7321 -122.9348 762656.2560 -4.5953 -4.6344 PRESSURE: 130600 89.3124 -142.597 -303.903 -142.596 -126.944 170.23 -303.903 170.229 249.753 GPRESSURE: 130600 205.665 -94.8441 -328.262 -112.908 -77.6899 38.4543 -268.004 250.144 165.408 PRESSAVG: 130600 36.1201 -26.935 -33.9206 -26.935 -7.97711 -32.6981 -33.9205 -32.6982 -18.0378 GPRESSAVG: 130600 37.0137 -28.2426 -33.3071 -25.9983 -8.48617 -34.0096 -32.8056 -30.6655 -18.9196 TIMING: 130600 CPU: 410.991, 0.00314743/step Wall: 410.991, 0.00314743/step, 4.25725 hours remaining, 235.507812 MB of memory in use. ENERGY: 130600 3982.0387 20569.2445 14465.3197 251.4264 -202966.7284 2552.6931 0.0000 0.0000 52201.8520 -108944.1541 300.0048 -161146.0061 -108576.4681 299.9970 70.7071 97.7944 763027.0100 3.3684 3.2026 PRESSURE: 130800 -422.76 -144.402 155.852 -144.402 -44.352 -27.905 155.851 -27.9051 -321.775 GPRESSURE: 130800 -326.226 -200.608 144.97 -116.17 -34.8778 -14.4809 117.152 77.0401 -352.748 PRESSAVG: 130800 -4.04334 -43.7986 3.67509 -43.7986 51.4948 11.1999 3.67512 11.1999 -6.53834 GPRESSAVG: 130800 -3.94512 -42.4566 4.19297 -42.1933 51.052 9.14117 1.86472 11.1153 -6.50689 TIMING: 130800 CPU: 411.626, 0.00317135/step Wall: 411.626, 0.00317135/step, 4.28943 hours remaining, 235.507812 MB of memory in use. ENERGY: 130800 3986.5665 20523.8021 14473.8798 248.8344 -202796.3784 2279.5069 0.0000 0.0000 52228.1358 -109055.6528 300.1558 -161283.7887 -108698.1693 299.4564 -262.9625 -237.9507 761399.8618 13.6377 13.5333 PRESSURE: 131000 47.9326 -1.39599 64.3149 -1.3951 15.8664 -233.323 64.3154 -233.324 -33.4176 GPRESSURE: 131000 24.8998 71.5243 74.3636 44.3661 13.01 -120.937 -26.5094 -212.732 55.7883 PRESSAVG: 131000 -3.46607 -16.6391 18.4358 -16.6391 57.0376 27.4633 18.4359 27.4633 12.7714 GPRESSAVG: 131000 -3.93596 -16.6375 17.8914 -16.9254 56.1214 29.8766 17.0081 27.992 13.8242 TIMING: 131000 CPU: 412.26, 0.00317048/step Wall: 412.26, 0.00317048/step, 4.28807 hours remaining, 235.507812 MB of memory in use. ENERGY: 131000 4042.9480 20538.2443 14485.9022 250.1262 -203331.8394 2777.7442 0.0000 0.0000 52194.6055 -109042.2689 299.9631 -161236.8744 -108684.0864 299.4982 10.1271 31.2327 762065.0133 22.1143 22.0032 PRESSURE: 131200 -94.5847 -128.179 -210.537 -128.179 27.2281 124.909 -210.537 124.909 175.81 GPRESSURE: 131200 -44.0566 -112.385 -85.7471 -185.803 42.9875 108.687 -357.082 119.426 192.649 PRESSAVG: 131200 28.3461 16.8013 4.02279 16.8013 -24.4548 -24.9211 4.02289 -24.9212 -6.45922 GPRESSAVG: 131200 28.7304 14.4694 4.00824 16.8373 -24.51 -26.3884 4.89385 -25.1458 -7.27638 TIMING: 131200 CPU: 412.892, 0.00316082/step Wall: 412.892, 0.00316082/step, 4.27483 hours remaining, 235.507812 MB of memory in use. ENERGY: 131200 4089.1342 20424.3301 14534.1527 260.2703 -203229.1540 2740.3786 0.0000 0.0000 52340.5890 -108840.2990 300.8021 -161180.8881 -108478.5035 300.0589 36.1510 63.8599 763949.9080 -0.8560 -1.0187 PRESSURE: 131400 -287.82 -36.5256 -330.458 -36.5248 -258.152 19.5004 -330.459 19.501 107.427 GPRESSURE: 131400 -282.942 14.1142 -386.953 42.241 -157.944 21.6937 -109.908 -117.679 93.2571 PRESSAVG: 131400 -8.26469 7.49126 -19.1958 7.49136 -9.96365 -26.9115 -19.1957 -26.9115 8.37069 GPRESSAVG: 131400 -8.26034 9.4206 -19.8569 6.09355 -9.56658 -25.7759 -19.4941 -27.9396 7.60647 TIMING: 131400 CPU: 413.523, 0.00315354/step Wall: 413.523, 0.00315354/step, 4.26482 hours remaining, 235.507812 MB of memory in use. ENERGY: 131400 4057.9648 20496.5694 14532.6046 225.7858 -202903.2162 2665.3064 0.0000 0.0000 52026.9273 -108898.0578 298.9995 -160924.9851 -108535.1288 299.9314 -146.1817 -115.8762 764367.9810 -3.2859 -3.4068 PRESSURE: 131600 -76.1853 10.448 -19.1536 10.4479 97.8414 -80.0722 -19.1533 -80.073 -298.713 GPRESSURE: 131600 -56.8881 -79.7911 -155.61 14.7629 147.915 -100.211 47.0574 -35.2333 -277.385 PRESSAVG: 131600 -37.3284 -23.2047 0.645141 -23.2047 14.2862 4.70681 0.645187 4.70683 1.76369 GPRESSAVG: 131600 -40.1126 -22.6773 1.46364 -24.0941 15.2067 3.21154 0.597233 5.71829 2.69735 TIMING: 131600 CPU: 414.148, 0.00312775/step Wall: 414.148, 0.00312775/step, 4.22976 hours remaining, 235.507812 MB of memory in use. ENERGY: 131600 4080.2803 20384.3271 14484.7251 238.1833 -202965.0448 2600.6980 0.0000 0.0000 52136.9805 -109039.8505 299.6319 -161176.8310 -108676.3411 299.8115 -92.3522 -62.1192 763350.3577 -7.0928 -7.4029 PRESSURE: 131800 12.9463 -57.2008 -72.2252 -57.2008 -12.0883 -409.794 -72.2245 -409.794 -157.827 GPRESSURE: 131800 73.5375 -181.969 25.0034 28.2674 -18.3406 -318.859 -89.4704 -403.616 -119.844 PRESSAVG: 131800 -0.861809 -1.24129 -0.35015 -1.24121 -0.0880994 -28.8967 -0.350113 -28.8966 -8.71545 GPRESSAVG: 131800 0.061559 -2.55327 0.664044 -0.546137 0.259276 -29.2627 0.615404 -28.7717 -10.2898 TIMING: 131800 CPU: 414.781, 0.00316441/step Wall: 414.781, 0.00316441/step, 4.27917 hours remaining, 235.507812 MB of memory in use. ENERGY: 131800 3936.6684 20520.4294 14488.2243 232.7260 -202669.2351 2442.0762 0.0000 0.0000 52084.2898 -108964.8210 299.3291 -161049.1108 -108600.8078 299.5492 -52.3231 -21.5491 763822.8346 -3.2218 -3.3230 PRESSURE: 132000 1.38341 -106.79 65.3728 -106.79 -219.114 131.969 65.3731 131.97 -420.017 GPRESSURE: 132000 46.3479 -32.5206 -94.0142 -84.2559 -213.625 102.093 64.2827 121.158 -391.721 PRESSAVG: 132000 -38.8688 -44.7635 -71.1726 -44.7635 15.3795 -56.9636 -71.1727 -56.9636 -0.329144 GPRESSAVG: 132000 -39.0864 -43.9023 -72.2984 -45.3786 14.7261 -55.6895 -70.7717 -58.05 0.548001 TIMING: 132000 CPU: 415.408, 0.00313606/step Wall: 415.408, 0.00313606/step, 4.24065 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: 132000 4008.9493 20425.1304 14544.7813 235.3713 -203108.7993 2530.7337 0.0000 0.0000 52185.5683 -109178.2650 299.9112 -161363.8333 -108807.4921 299.4155 -212.5825 -186.3328 764175.1331 -7.9395 -7.9374 PRESSURE: 132200 392.887 -150.086 2.62847 -150.086 9.02473 -223.491 2.62813 -223.49 -72.6303 GPRESSURE: 132200 420.084 -125.763 -132.892 -188.707 -15.9401 -248.743 52.4939 -60.6669 -4.05594 PRESSAVG: 132200 -3.77841 -26.1195 -23.5161 -26.1195 -8.22631 -8.91406 -23.5161 -8.91412 -7.76025 GPRESSAVG: 132200 -2.83917 -26.5555 -24.8008 -24.4379 -8.37337 -8.76804 -24.4412 -8.49614 -8.47451 TIMING: 132200 CPU: 416.035, 0.00313199/step Wall: 416.035, 0.00313199/step, 4.23498 hours remaining, 235.507812 MB of memory in use. ENERGY: 132200 3900.5883 20550.5461 14520.8447 236.9413 -203049.6996 2630.3317 0.0000 0.0000 51955.5908 -109254.8568 298.5895 -161210.4476 -108894.2619 299.2446 109.7605 133.3627 762468.1859 -6.5883 -6.5623 LDB: ============= START OF LOAD BALANCING ============== 428.484 LDB: ============== END OF LOAD BALANCING =============== 428.484 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 428.486 LDB: ============= START OF LOAD BALANCING ============== 428.8 LDB: Largest compute 7076 load 0.037255 is 19.1% of average load 0.194887 LDB: Average compute 0.004383 is 2.2% of average load 0.194887 LDB: TIME 428.803 LOAD: AVG 0.194887 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.5 MB LDB: TIME 428.804 LOAD: AVG 0.194887 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 428.804 LOAD: AVG 0.194887 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 428.806 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 428.81 PRESSURE: 132400 60.1029 98.4448 -117.128 98.4451 175.013 91.5284 -117.129 91.5279 -32.4867 GPRESSURE: 132400 81.6814 55.0296 -121.991 217.891 194.957 186.97 -206.601 135.862 20.879 PRESSAVG: 132400 13.5717 -14.8824 -52.5786 -14.8824 14.5797 -47.9013 -52.5787 -47.9013 5.33168 GPRESSAVG: 132400 14.1129 -14.248 -51.9566 -14.9964 13.5952 -47.7671 -51.8173 -47.7742 5.38364 TIMING: 132400 CPU: 416.675, 0.00320061/step Wall: 416.675, 0.00320061/step, 4.32758 hours remaining, 236.015625 MB of memory in use. ENERGY: 132400 4011.3635 20632.7707 14529.1474 244.8024 -202833.8752 2457.7322 0.0000 0.0000 51919.8381 -109038.2208 298.3840 -160958.0590 -108689.7240 299.1271 67.5431 99.1724 761547.8888 11.1610 11.0306 PRESSURE: 132600 115.027 -72.3991 18.5948 -72.3988 -181.829 -101.96 18.5939 -101.959 -280.079 GPRESSURE: 132600 105.29 -10.0611 54.7251 -94.6795 -154.992 -195.161 -81.9163 -170.243 -216.01 PRESSAVG: 132600 -21.4601 -26.7815 -23.8116 -26.7815 18.973 22.7448 -23.8116 22.7448 -7.87135 GPRESSAVG: 132600 -22.465 -25.9613 -24.286 -30.4724 19.8881 22.5084 -24.743 22.7822 -7.2666 TIMING: 132600 CPU: 417.306, 0.00315539/step Wall: 417.306, 0.00315539/step, 4.26626 hours remaining, 236.015625 MB of memory in use. ENERGY: 132600 4048.7463 20524.6887 14515.8777 253.5227 -202949.0123 2487.5348 0.0000 0.0000 51733.9510 -109384.6910 297.3157 -161118.6420 -109017.9067 299.5232 -115.6271 -88.5708 762272.8415 -3.4528 -3.2812 PRESSURE: 132800 36.7957 -216.494 -139.463 -216.494 45.936 -101.217 -139.463 -101.216 13.3845 GPRESSURE: 132800 120.817 -133.935 -95.3903 -262.473 45.9319 -159.071 -128.37 -21.7713 16.5447 PRESSAVG: 132800 -21.8585 -69.0693 68.629 -69.0693 -41.6325 -34.7864 68.6289 -34.7865 2.60149 GPRESSAVG: 132800 -21.0865 -70.396 68.5194 -65.4831 -42.3816 -35.2616 70.6937 -36.8927 2.26072 TIMING: 132800 CPU: 417.935, 0.00314467/step Wall: 417.935, 0.00314467/step, 4.25159 hours remaining, 236.015625 MB of memory in use. ENERGY: 132800 3867.5296 20525.1457 14414.3053 250.0803 -203341.6649 2628.0923 0.0000 0.0000 52083.9041 -109572.6076 299.3269 -161656.5116 -109206.3138 298.3693 32.0387 61.0979 762076.7923 -20.2965 -20.4025 PRESSURE: 133000 1.8155 90.1354 7.77733 90.1352 12.5149 -99.5833 7.7779 -99.5826 205.285 GPRESSURE: 133000 115.754 40.8666 72.7577 254.911 2.16709 -85.1324 -62.5724 13.2166 206.394 PRESSAVG: 133000 15.7328 -6.3516 28.5755 -6.35157 -1.05076 20.411 28.5756 20.4109 30.218 GPRESSAVG: 133000 13.9607 -7.17904 30.3467 -5.1189 1.65294 21.5062 26.7553 22.2839 29.4695 TIMING: 133000 CPU: 418.56, 0.00312604/step Wall: 418.56, 0.00312604/step, 4.22624 hours remaining, 236.015625 MB of memory in use. ENERGY: 133000 3983.6821 20348.5746 14469.3795 227.6524 -203339.9811 2769.7356 0.0000 0.0000 52132.0156 -109408.9414 299.6034 -161540.9569 -109037.4999 298.4344 73.2053 108.1051 762538.7167 14.9667 15.0277 PRESSURE: 133200 -241.081 -12.2731 -151.216 -12.2739 232.45 78.2175 -151.216 78.2184 -375.755 GPRESSURE: 133200 -161.037 45.3219 -169.322 -70.2051 314.236 52.3564 -88.3876 75.3436 -442.991 PRESSAVG: 133200 20.7668 -3.65954 15.2431 -3.65957 32.7394 35.5617 15.2431 35.5616 -1.72461 GPRESSAVG: 133200 21.2608 -2.47997 13.9752 -4.71836 32.655 34.2888 16.342 36.1347 -2.29204 TIMING: 133200 CPU: 419.191, 0.00315273/step Wall: 419.191, 0.00315273/step, 4.26214 hours remaining, 236.015625 MB of memory in use. ENERGY: 133200 3990.3602 20356.0132 14521.9980 253.7051 -203255.0826 2759.1007 0.0000 0.0000 51845.1733 -109528.7321 297.9549 -161373.9055 -109172.2390 299.1188 -128.1286 -96.5975 761343.3466 17.2605 17.2079 PRESSURE: 133400 -328.529 -29.2944 183.469 -29.2929 10.4145 -94.0457 183.47 -94.0461 26.295 GPRESSURE: 133400 -286.303 75.598 206.304 -56.5101 44.7027 -47.3413 281.831 -98.6657 16.8029 PRESSAVG: 133400 -23.1108 -2.74444 -39.3813 -2.74442 -15.3758 21.7515 -39.3813 21.7515 17.436 GPRESSAVG: 133400 -21.9602 -2.3696 -40.6175 -2.98628 -17.5748 22.5501 -38.9459 20.7066 18.6243 TIMING: 133400 CPU: 419.821, 0.00315365/step Wall: 419.821, 0.00315365/step, 4.26321 hours remaining, 236.015625 MB of memory in use. ENERGY: 133400 4001.1948 20505.7947 14493.1586 251.9983 -203488.3449 2628.4282 0.0000 0.0000 51970.4521 -109637.3183 298.6749 -161607.7704 -109267.5925 298.6081 -97.2731 -74.9325 762669.7402 -7.0169 -6.9702 PRESSURE: 133600 -206.242 -81.2092 13.4841 -81.2091 -120.08 49.218 13.4846 49.2187 -267.799 GPRESSURE: 133600 -127.895 51.8808 8.38847 -215.893 -185.144 54.5079 28.4858 24.3367 -213.259 PRESSAVG: 133600 43.6341 -72.7803 39.7843 -72.7802 -11.5645 -11.1193 39.7844 -11.1194 -6.36505 GPRESSAVG: 133600 41.8216 -72.9203 40.8559 -73.9575 -10.3457 -11.2032 37.6753 -11.3108 -5.82618 TIMING: 133600 CPU: 420.45, 0.00314336/step Wall: 420.45, 0.00314336/step, 4.24912 hours remaining, 236.015625 MB of memory in use. ENERGY: 133600 3987.3727 20514.6161 14452.1748 230.2202 -203484.2464 2579.8929 0.0000 0.0000 51874.4422 -109845.5276 298.1231 -161719.9698 -109485.7871 298.3667 -198.0406 -175.4325 763095.6989 8.5682 8.5499 PRESSURE: 133800 20.2458 -125.723 79.2861 -125.724 96.7037 -41.9643 79.2872 -41.9635 -257.777 GPRESSURE: 133800 40.0413 64.5747 64.1973 -56.0095 156.209 -18.2289 -32.2155 -102.749 -263.666 PRESSAVG: 133800 -26.7746 42.3889 -36.4009 42.3888 17.684 -42.0524 -36.4009 -42.0524 -4.10885 GPRESSAVG: 133800 -25.8896 41.2925 -36.1852 41.9002 18.0618 -44.1365 -36.7447 -39.7057 -5.43866 TIMING: 133800 CPU: 421.08, 0.0031518/step Wall: 421.08, 0.0031518/step, 4.26036 hours remaining, 236.015625 MB of memory in use. ENERGY: 133800 3960.9798 20466.9327 14535.9133 223.3264 -204125.1784 2991.7568 0.0000 0.0000 51996.2021 -109950.0674 298.8229 -161946.2694 -109581.9167 298.2067 -46.9424 -22.4718 760388.1755 -4.3998 -4.4221 PRESSURE: 134000 53.8455 155.221 -135.402 155.221 58.9258 108.92 -135.402 108.919 258.624 GPRESSURE: 134000 25.8946 124.888 -116.195 269.553 176.9 100.177 -49.8294 130.251 265.843 PRESSAVG: 134000 -28.0295 -30.6332 6.56659 -30.6331 5.54194 -26.6462 6.56663 -26.6462 5.44253 GPRESSAVG: 134000 -28.0313 -32.1233 5.60268 -28.6416 4.82055 -25.5753 7.00227 -28.1438 6.15468 TIMING: 134000 CPU: 421.715, 0.00317432/step Wall: 421.715, 0.00317432/step, 4.29062 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: 134000 3946.3425 20487.2305 14543.2134 248.4534 -203531.5130 2618.6611 0.0000 0.0000 51856.9202 -109830.6919 298.0224 -161687.6120 -109478.8646 298.1443 123.7986 156.2127 763195.0963 -5.6817 -5.6854 PRESSURE: 134200 -157.673 138.222 -47.0082 138.223 -67.6985 -277.217 -47.0085 -277.216 -469.666 GPRESSURE: 134200 -161.888 113.051 -59.4399 150.174 -31.1356 -265.248 139.039 -103.28 -425.456 PRESSAVG: 134200 -25.6139 -7.58211 7.82064 -7.58209 49.5117 -60.3048 7.82057 -60.3048 -1.10006 GPRESSAVG: 134200 -25.2787 -6.07241 8.69279 -7.64512 49.061 -59.72 10.3607 -60.4759 -0.635196 TIMING: 134200 CPU: 422.352, 0.00318462/step Wall: 422.352, 0.00318462/step, 4.30437 hours remaining, 236.015625 MB of memory in use. ENERGY: 134200 4054.3691 20526.6699 14452.0711 245.8366 -203486.7481 2717.3663 0.0000 0.0000 51603.5228 -109886.9122 296.5662 -161490.4350 -109530.6876 297.8787 -231.6791 -206.1597 763079.0002 7.5993 7.7157 PRESSURE: 134400 -194.528 -22.909 56.517 -22.9085 230.872 -56.0778 56.5175 -56.0768 -389.852 GPRESSURE: 134400 -81.6438 -11.9658 21.6712 -38.6775 160.929 -65.646 143.701 -62.5264 -335.458 PRESSAVG: 134400 4.63546 20.3485 41.8009 20.3484 -16.9309 -18.674 41.8008 -18.6741 -27.3076 GPRESSAVG: 134400 4.45439 20.543 41.5089 20.8398 -16.2128 -20.53 40.9578 -17.8199 -27.5294 TIMING: 134400 CPU: 422.984, 0.00315888/step Wall: 422.984, 0.00315888/step, 4.2694 hours remaining, 236.015625 MB of memory in use. ENERGY: 134400 3998.4716 20691.0569 14500.7206 249.6003 -203737.1581 2727.3178 0.0000 0.0000 51807.4073 -109762.5836 297.7379 -161569.9909 -109416.8343 298.4365 -117.8358 -85.3907 761904.8067 -13.2010 -13.0959 PRESSURE: 134600 231.637 -99.0915 180.955 -99.092 3.22909 0.648311 180.956 0.648376 -62.6324 GPRESSURE: 134600 276.128 -62.9146 150.731 -35.423 -29.3039 86.885 139.281 -56.36 5.17043 PRESSAVG: 134600 -19.3153 -8.83031 62.5752 -8.83034 23.0508 -10.4161 62.5752 -10.4161 46.6603 GPRESSAVG: 134600 -19.7033 -8.79986 62.8319 -11.3185 22.3818 -9.0901 62.2903 -11.2774 48.0381 TIMING: 134600 CPU: 423.616, 0.0031599/step Wall: 423.616, 0.0031599/step, 4.2706 hours remaining, 236.015625 MB of memory in use. ENERGY: 134600 3944.8853 20515.4207 14542.6592 241.2010 -203460.0018 2629.0415 0.0000 0.0000 51884.7891 -109702.0049 298.1826 -161586.7940 -109333.1927 298.3422 57.4112 83.9980 762045.8756 16.7986 16.9055 PRESSURE: 134800 30.4185 -43.2844 -4.55637 -43.2844 252.587 80.6009 -4.55745 80.6011 452.982 GPRESSURE: 134800 110.652 11.7983 45.3402 -61.6879 307.452 10.6817 -96.1438 59.394 394.205 PRESSAVG: 134800 10.4618 -9.54159 39.8303 -9.54154 24.5854 -22.7483 39.8303 -22.7482 31.0593 GPRESSAVG: 134800 11.4753 -10.6543 39.3919 -7.8571 24.9716 -20.9293 39.204 -22.1756 29.4135 TIMING: 134800 CPU: 424.249, 0.00316667/step Wall: 424.249, 0.00316667/step, 4.27958 hours remaining, 236.015625 MB of memory in use. ENERGY: 134800 3968.8860 20327.4449 14394.3484 236.0507 -203681.2683 2875.7557 0.0000 0.0000 52061.5795 -109817.2031 299.1986 -161878.7826 -109460.1290 298.1703 245.3293 270.7697 761824.0027 22.0355 21.9535 PRESSURE: 135000 242.835 -369.893 -176.897 -369.893 99.7372 -331.557 -176.896 -331.556 -435.518 GPRESSURE: 135000 219.449 -246.957 -176.755 -281.11 93.7516 -304.996 -148.286 -230.51 -300.946 PRESSAVG: 135000 -30.9261 -18.9316 -14.2505 -18.9316 12.9732 38.719 -14.2505 38.719 9.54719 GPRESSAVG: 135000 -33.0476 -16.8718 -15.6641 -20.015 13.5404 39.301 -12.1347 37.3456 11.5825 TIMING: 135000 CPU: 424.882, 0.00316145/step Wall: 424.882, 0.00316145/step, 4.27235 hours remaining, 236.015625 MB of memory in use. ENERGY: 135000 3856.2716 20386.9438 14498.5555 246.6072 -203365.0003 2857.2770 0.0000 0.0000 51785.6882 -109733.6569 297.6131 -161519.3451 -109375.6248 297.8620 -30.9817 4.0848 762207.0745 -2.8019 -2.6416 PRESSURE: 135200 -112.438 -42.986 35.8076 -42.9863 -218.024 46.494 35.8076 46.4943 -636.463 GPRESSURE: 135200 -80.2343 -57.6511 -61.5448 26.6979 -165.6 61.1892 0.660833 147.431 -639.298 PRESSAVG: 135200 -32.1464 -14.1503 -44.6814 -14.1503 38.9903 6.36246 -44.6814 6.36244 -24.1397 GPRESSAVG: 135200 -32.0006 -16.6148 -43.0724 -13.3334 38.7345 4.70505 -46.2792 7.64087 -24.3563 TIMING: 135200 CPU: 425.508, 0.00313138/step Wall: 425.508, 0.00313138/step, 4.23154 hours remaining, 236.015625 MB of memory in use. ENERGY: 135200 3962.7824 20376.6173 14508.2989 245.3123 -203243.0426 2512.3990 0.0000 0.0000 51970.6160 -109667.0167 298.6758 -161637.6327 -109309.6871 298.2150 -322.3084 -295.0441 763198.9777 -5.7652 -5.8741 PRESSURE: 135400 452.967 132.033 34.3463 132.033 -177.087 225.957 34.3463 225.957 43.3209 GPRESSURE: 135400 383.226 37.4312 145.979 13.0247 -57.4359 253.197 -39.5843 31.4639 79.5357 PRESSAVG: 135400 -9.00141 -16.1686 1.74358 -16.1686 5.47886 1.62028 1.74357 1.62032 -1.33569 GPRESSAVG: 135400 -8.71243 -13.9754 3.28041 -16.7849 5.62201 1.04422 1.84675 0.763963 -1.83501 TIMING: 135400 CPU: 426.137, 0.00314723/step Wall: 426.137, 0.00314723/step, 4.25278 hours remaining, 236.015625 MB of memory in use. ENERGY: 135400 3944.0750 20467.0464 14427.4749 242.9153 -203126.5482 2600.4057 0.0000 0.0000 51837.1670 -109607.4641 297.9089 -161444.6311 -109243.7805 298.2795 106.4002 135.1085 762632.7547 -1.6194 -1.6418 PRESSURE: 135600 -273.798 11.6063 -228.601 11.6057 -183.093 -132.26 -228.601 -132.26 -506.722 GPRESSURE: 135600 -145.934 -161.523 -246.523 9.78223 -201.215 -146.421 -138.47 -84.7668 -542.28 PRESSAVG: 135600 -29.0173 14.1251 27.0623 14.1251 17.8292 45.2641 27.0624 45.2642 -3.51081 GPRESSAVG: 135600 -27.5347 15.3822 25.8148 13.202 16.645 45.7122 28.0234 45.76 -3.66889 TIMING: 135600 CPU: 426.765, 0.00313675/step Wall: 426.765, 0.00313675/step, 4.23845 hours remaining, 236.015625 MB of memory in use. ENERGY: 135600 3930.2310 20497.5539 14493.1782 228.0454 -202847.2815 2266.1821 0.0000 0.0000 51754.8937 -109677.1972 297.4361 -161432.0909 -109323.9803 298.3053 -321.2042 -296.4765 762839.1007 -4.8997 -4.8529 PRESSURE: 135800 -220.411 -108.083 117.307 -108.083 -237.119 -41.173 117.307 -41.1721 -304.768 GPRESSURE: 135800 -142.706 20.0878 58.0066 -85.964 -238.455 -29.9615 115.819 30.4099 -299.142 PRESSAVG: 135800 44.8539 -25.2142 36.8134 -25.2143 -7.51928 -31.896 36.8135 -31.8959 23.4127 GPRESSAVG: 135800 43.6694 -27.0732 36.0964 -22.3048 -7.12192 -32.469 35.0185 -29.438 24.1022 TIMING: 135800 CPU: 427.394, 0.00314642/step Wall: 427.394, 0.00314642/step, 4.25134 hours remaining, 236.015625 MB of memory in use. ENERGY: 135800 3955.4656 20356.8721 14503.9809 247.5211 -203584.6568 2822.1786 0.0000 0.0000 52013.7473 -109684.8911 298.9237 -161698.6384 -109324.4417 298.2764 -254.0994 -226.7673 762458.0983 20.2491 20.2166 PRESSURE: 136000 131.805 -43.3058 -103.48 -43.3062 88.1478 -97.8358 -103.48 -97.8358 -457.272 GPRESSURE: 136000 167.02 23.7059 -126.108 -42.3658 146.782 -104.993 -47.9692 -188.315 -450.614 PRESSAVG: 136000 -35.9349 11.4306 5.82983 11.4305 -11.7178 30.0543 5.82983 30.0543 5.8644 GPRESSAVG: 136000 -34.5644 11.7738 5.52108 11.0279 -12.34 29.4364 6.68582 27.288 5.90826 TIMING: 136000 CPU: 428.021, 0.0031358/step Wall: 428.021, 0.0031358/step, 4.23681 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: 136000 4018.2539 20338.0879 14463.7156 240.3767 -203152.4688 2388.7847 0.0000 0.0000 51928.7064 -109774.5436 298.4350 -161703.2500 -109414.0060 298.1011 -79.1061 -45.6040 761836.3723 -13.9294 -13.6654 PRESSURE: 136200 -117.874 88.9076 60.3087 88.9085 -213.13 68.3535 60.308 68.3533 -125.585 GPRESSURE: 136200 -138.243 51.1163 117.944 49.0871 -135.218 152.29 -59.5621 -47.3306 -96.2881 PRESSAVG: 136200 30.3039 1.59572 13.0836 1.59576 -19.9578 -33.2361 13.0836 -33.2361 23.8051 GPRESSAVG: 136200 29.3448 0.735658 16.2013 2.05475 -19.004 -31.7798 11.3309 -32.5882 23.3907 TIMING: 136200 CPU: 428.652, 0.00315509/step Wall: 428.652, 0.00315509/step, 4.26271 hours remaining, 236.015625 MB of memory in use. ENERGY: 136200 3994.4494 20397.9800 14508.9436 249.6605 -203595.0014 2802.9895 0.0000 0.0000 52055.9424 -109585.0360 299.1662 -161640.9783 -109235.0020 298.2812 -152.1964 -123.2496 761508.7181 11.3837 11.2438 LDB: ============= START OF LOAD BALANCING ============== 441.102 LDB: ============== END OF LOAD BALANCING =============== 441.102 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 441.104 LDB: ============= START OF LOAD BALANCING ============== 441.419 LDB: Largest compute 7074 load 0.034848 is 17.9% of average load 0.194751 LDB: Average compute 0.004383 is 2.3% of average load 0.194751 LDB: TIME 441.423 LOAD: AVG 0.194751 MAX 0.212288 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.043 MB LDB: TIME 441.423 LOAD: AVG 0.194751 MAX 0.212288 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 441.423 LOAD: AVG 0.194751 MAX 0.212288 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 441.425 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 441.43 PRESSURE: 136400 -2.4591 -122.889 -148.719 -122.889 -43.2797 -80.415 -148.718 -80.4161 236.243 GPRESSURE: 136400 58.1077 -129.284 -138.02 -126.159 -10.805 -80.9133 -27.991 -36.3039 225.064 PRESSAVG: 136400 63.5752 0.420743 -12.1183 0.420714 -37.3695 -16.6806 -12.1182 -16.6807 14.6761 GPRESSAVG: 136400 62.9385 1.27458 -14.5667 0.671494 -36.4131 -15.615 -12.1767 -17.3661 14.0936 TIMING: 136400 CPU: 429.294, 0.00321144/step Wall: 429.294, 0.00321144/step, 4.33865 hours remaining, 234.273438 MB of memory in use. ENERGY: 136400 3946.5791 20547.0886 14440.7383 264.0909 -203136.2773 2443.1552 0.0000 0.0000 51936.6743 -109557.9509 298.4808 -161494.6252 -109194.9137 298.8836 63.5014 90.7890 762459.3752 13.6273 13.5397 PRESSURE: 136600 -12.8275 -156.698 -70.4946 -156.698 -246.302 -122.431 -70.4949 -122.431 0.453718 GPRESSURE: 136600 44.5768 -184.678 -35.1966 -229.549 -233.217 -152.225 -93.4428 -142.333 10.921 PRESSAVG: 136600 15.0899 -43.1539 30.6889 -43.1539 7.07329 0.584109 30.689 0.584087 13.4465 GPRESSAVG: 136600 15.8072 -43.0701 29.6395 -45.2818 6.14649 -0.240273 32.9922 1.4617 13.9176 TIMING: 136600 CPU: 429.923, 0.00314415/step Wall: 429.923, 0.00314415/step, 4.24757 hours remaining, 234.273438 MB of memory in use. ENERGY: 136600 3983.8836 20477.6374 14565.0314 237.6704 -203096.6544 2590.2235 0.0000 0.0000 51719.6277 -109522.5804 297.2334 -161242.2081 -109158.4593 298.8198 -86.2253 -59.2396 762373.9729 11.8699 11.9571 PRESSURE: 136800 -140.42 -115.285 41.0841 -115.285 -272.538 119.23 41.0847 119.231 294.733 GPRESSURE: 136800 -136.193 -69.3543 94.8327 -78.7109 -177.28 94.3874 80.6596 119.039 288.393 PRESSAVG: 136800 -2.10762 -43.0112 16.0285 -43.0112 -11.8629 7.79967 16.0285 7.79959 -2.34129 GPRESSAVG: 136800 -1.96016 -41.6345 17.2389 -42.3295 -12.3498 8.02975 13.7881 8.3683 -1.90864 TIMING: 136800 CPU: 430.558, 0.00317361/step Wall: 430.558, 0.00317361/step, 4.28719 hours remaining, 234.273438 MB of memory in use. ENERGY: 136800 4015.9515 20452.1538 14455.5204 252.9856 -202953.1815 2306.3188 0.0000 0.0000 51963.6467 -109506.6048 298.6358 -161470.2515 -109149.3614 298.7581 -39.4085 -8.3601 762366.1733 -5.4373 -5.4062 PRESSURE: 137000 -110.244 -26.5996 180.918 -26.6005 263.909 147.63 180.918 147.631 525 GPRESSURE: 137000 -1.72069 -35.314 123.12 -63.1327 207.443 94.0919 199.138 9.51897 558.056 PRESSAVG: 137000 -14.5756 -32.479 -5.0217 -32.4789 43.9022 55.9121 -5.02173 55.912 10.1383 GPRESSAVG: 137000 -14.87 -34.2518 -6.06068 -32.249 43.9625 55.4727 -3.73942 53.6059 10.4581 TIMING: 137000 CPU: 431.188, 0.00314832/step Wall: 431.188, 0.00314832/step, 4.25285 hours remaining, 234.273438 MB of memory in use. ENERGY: 137000 3996.1104 20433.3908 14436.4142 219.4718 -203370.7820 2879.3842 0.0000 0.0000 52015.7616 -109390.2490 298.9353 -161406.0106 -109035.8699 299.1218 226.2215 254.5927 760236.6253 13.1550 13.1835 PRESSURE: 137200 426.998 5.64408 89.4397 5.6435 123.614 -172.147 89.44 -172.147 66.2908 GPRESSURE: 137200 511.309 104.583 45.7948 20.8434 142.14 -116.056 190.808 -25.7974 56.8172 PRESSAVG: 137200 12.2811 -21.9906 16.3837 -21.9906 22.479 53.7262 16.3838 53.7263 9.20241 GPRESSAVG: 137200 12.0427 -22.5001 15.3529 -22.5779 22.7464 54.3967 17.4511 54.1844 9.37719 TIMING: 137200 CPU: 431.824, 0.00318428/step Wall: 431.824, 0.00318428/step, 4.30125 hours remaining, 234.273438 MB of memory in use. ENERGY: 137200 3906.6918 20498.9247 14408.1796 259.9191 -203508.9796 2746.4603 0.0000 0.0000 52339.7919 -109349.0121 300.7975 -161688.8040 -108989.5142 299.6390 205.6341 236.7555 760533.0082 14.6541 14.7221 PRESSURE: 137400 -3.13173 -55.376 -54.6823 -55.3755 -200.906 -25.4493 -54.6832 -25.4481 167.058 GPRESSURE: 137400 45.1639 -25.0174 -95.4552 -59.1534 -105.965 -58.6877 -92.6806 -29.7624 105.738 PRESSAVG: 137400 -15.6941 -57.0454 20.7155 -57.0454 4.40439 4.60785 20.7154 4.60786 -8.18354 GPRESSAVG: 137400 -14.6912 -57.3934 22.0303 -57.0105 3.85833 4.68522 18.2299 4.8202 -8.79471 TIMING: 137400 CPU: 432.459, 0.00317296/step Wall: 432.459, 0.00317296/step, 4.28578 hours remaining, 234.273438 MB of memory in use. ENERGY: 137400 3986.2619 20389.3172 14525.9304 231.7498 -203124.7769 2383.3700 0.0000 0.0000 52177.9511 -109430.1965 299.8674 -161608.1476 -109066.2908 299.7073 -12.3267 14.9788 759900.4415 -6.4911 -6.5425 PRESSURE: 137600 127.306 -277.287 64.1795 -277.287 287.379 90.8764 64.1807 90.8762 267.991 GPRESSURE: 137600 184.492 -307.246 18.3854 -161.446 303.822 89.4984 63.1459 41.3237 262.837 PRESSAVG: 137600 36.0789 -51.1723 -19.6984 -51.1723 -19.6679 56.0991 -19.6984 56.0991 -5.34961 GPRESSAVG: 137600 34.8422 -48.4489 -19.8564 -50.1998 -18.1333 53.5442 -16.5545 57.5004 -5.66921 TIMING: 137600 CPU: 433.09, 0.0031568/step Wall: 433.09, 0.0031568/step, 4.26378 hours remaining, 234.273438 MB of memory in use. ENERGY: 137600 3921.6651 20520.5252 14508.4631 251.4180 -203757.9292 2960.6390 0.0000 0.0000 52045.3710 -109549.8479 299.1055 -161595.2189 -109182.5572 299.1669 227.5585 250.3838 758794.2113 3.6871 3.6799 PRESSURE: 137800 -266.865 -66.2592 92.9672 -66.2598 -33.5782 178.097 92.9678 178.097 60.0137 GPRESSURE: 137800 -235.648 -92.0177 40.1035 -22.359 -20.2886 206.528 -8.06921 111.252 81.9552 PRESSAVG: 137800 -9.11598 -22.2028 51.2698 -22.2027 24.0242 13.662 51.2698 13.662 -7.05336 GPRESSAVG: 137800 -8.08983 -21.858 52.5095 -23.6876 22.6988 16.1085 47.9319 11.7817 -7.08973 TIMING: 137800 CPU: 433.721, 0.00315342/step Wall: 433.721, 0.00315342/step, 4.25905 hours remaining, 234.273438 MB of memory in use. ENERGY: 137800 3920.5675 20613.0668 14375.2985 235.1245 -203282.9986 2503.8133 0.0000 0.0000 51956.8563 -109678.2717 298.5968 -161635.1280 -109319.7079 299.1521 -80.1433 -57.9938 761745.9143 2.6183 2.5064 PRESSURE: 138000 -143.996 11.0194 7.43397 11.0191 7.36023 169.094 7.43361 169.094 -21.6824 GPRESSURE: 138000 -75.1984 78.7108 41.9149 39.6478 20.2034 247.178 5.3998 209.795 -2.76628 PRESSAVG: 138000 48.7616 5.2496 32.1707 5.24953 -12.4259 13.1796 32.1705 13.1796 -16.2444 GPRESSAVG: 138000 48.2591 3.10444 29.8461 6.45573 -13.1825 13.2114 33.6394 12.8775 -15.4168 TIMING: 138000 CPU: 434.358, 0.003186/step Wall: 434.358, 0.003186/step, 4.30288 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 3966.4193 20427.8401 14457.5911 230.8289 -203388.9870 2484.4191 0.0000 0.0000 52161.1272 -109660.7614 299.7707 -161821.8886 -109303.8989 298.7799 -52.7727 -19.2538 761903.7621 6.6971 6.5533 PRESSURE: 138200 5.37233 28.2011 -75.2909 28.2017 -417.295 -20.4999 -75.2904 -20.4994 147.514 GPRESSURE: 138200 65.5054 26.4787 -160.087 55.2219 -406.588 3.08196 -69.6622 -178.867 179.2 PRESSAVG: 138200 36.1205 -42.4103 60.7381 -42.4102 -40.6369 63.1986 60.7381 63.1986 -2.65407 GPRESSAVG: 138200 36.3516 -40.0328 60.3998 -42.8172 -39.592 63.1797 61.7214 64.3119 -3.36367 TIMING: 138200 CPU: 434.99, 0.00315643/step Wall: 434.99, 0.00315643/step, 4.26276 hours remaining, 234.273438 MB of memory in use. ENERGY: 138200 3957.3565 20467.8742 14406.8354 257.2611 -203577.2621 2643.4991 0.0000 0.0000 51807.8025 -110036.6334 297.7402 -161844.4359 -109672.8550 298.1451 -88.1362 -53.9608 759296.0625 -2.3902 -2.2013 PRESSURE: 138400 -395.124 -160.826 -9.75094 -160.826 -192.197 193.032 -9.75115 193.033 -78.4785 GPRESSURE: 138400 -355.051 -153.671 -42.0991 -149.858 -181.953 214.397 87.4767 155.411 -10.0845 PRESSAVG: 138400 16.2125 -47.2992 -18.5982 -47.2992 -41.5957 35.8092 -18.5982 35.8091 14.6699 GPRESSAVG: 138400 15.9055 -49.4985 -18.9266 -45.0949 -41.6386 33.8963 -18.6572 36.4732 15.3288 TIMING: 138400 CPU: 435.622, 0.00316262/step Wall: 435.622, 0.00316262/step, 4.27094 hours remaining, 234.273438 MB of memory in use. ENERGY: 138400 3901.7866 20545.7974 14390.9329 248.3158 -203718.4729 2668.0686 0.0000 0.0000 51900.4023 -110063.1693 298.2723 -161963.5716 -109696.1597 298.1034 -221.9333 -182.3629 760442.9380 -3.5711 -3.4681 PRESSURE: 138600 -583.096 -109.556 -107.36 -109.556 -99.3077 0.800404 -107.361 0.800116 -360.833 GPRESSURE: 138600 -512.023 -102.936 -88.7447 -100.907 -75.5733 95.873 -133.506 106.097 -364.219 PRESSAVG: 138600 19.014 -11.3405 -53.8684 -11.3404 -1.56439 15.8269 -53.8684 15.8269 -9.93909 GPRESSAVG: 138600 20.2645 -9.86553 -52.2131 -12.2798 -1.95028 17.9019 -53.0037 15.545 -10.3487 TIMING: 138600 CPU: 436.252, 0.00314876/step Wall: 436.252, 0.00314876/step, 4.25205 hours remaining, 234.273438 MB of memory in use. ENERGY: 138600 4019.6743 20643.3640 14461.6063 256.5500 -203771.0922 2382.7101 0.0000 0.0000 52202.4043 -109804.7833 300.0079 -162007.1875 -109438.5710 298.4058 -347.7455 -317.2719 760621.1560 2.5035 2.6552 PRESSURE: 138800 -154.268 117.877 -81.5167 117.877 -241.855 284.275 -81.5168 284.275 -381.342 GPRESSURE: 138800 -49.274 43.7856 -143.84 25.2821 -258.105 152.117 -103.797 298.778 -384.27 PRESSAVG: 138800 -3.63358 12.8481 -28.7862 12.8481 -10.9221 36.4999 -28.7862 36.4999 -4.57225 GPRESSAVG: 138800 -4.64034 13.1027 -28.854 12.3262 -9.90061 34.8315 -31.5875 39.5746 -4.55434 TIMING: 138800 CPU: 436.88, 0.00314187/step Wall: 436.88, 0.00314187/step, 4.24257 hours remaining, 234.273438 MB of memory in use. ENERGY: 138800 3991.5642 20570.5818 14466.4052 256.8361 -203717.2837 2664.8440 0.0000 0.0000 52106.2248 -109660.8275 299.4552 -161767.0523 -109296.4652 298.7787 -259.1550 -230.5497 760394.7598 -6.3760 -6.3651 PRESSURE: 139000 -142.109 -24.8807 51.3275 -24.8799 4.78768 128.602 51.3284 128.603 266.639 GPRESSURE: 139000 -178.615 -145.585 105.988 -0.52021 84.1325 195.6 162.212 73.7835 285.232 PRESSAVG: 139000 -12.4292 -23.8999 -16.2342 -23.8998 -6.08036 -4.82472 -16.2342 -4.82479 28.2746 GPRESSAVG: 139000 -12.7983 -24.4905 -17.3935 -23.4844 -6.15858 -3.61761 -14.0957 -8.02624 28.4789 TIMING: 139000 CPU: 437.509, 0.00314349/step Wall: 437.509, 0.00314349/step, 4.24459 hours remaining, 234.273438 MB of memory in use. ENERGY: 139000 3982.4436 20757.5910 14449.1001 235.0484 -203437.2064 2635.2757 0.0000 0.0000 51897.7039 -109480.0436 298.2568 -161377.7476 -109126.9761 299.1865 43.1057 63.5833 759458.1446 3.2550 3.1740 PRESSURE: 139200 -10.3978 -0.434414 56.5012 -0.43427 -301.13 120.131 56.5012 120.131 -347.098 GPRESSURE: 139200 23.7524 -111.227 39.8371 41.1783 -258.358 131.247 126.595 121.324 -338.393 PRESSAVG: 139200 -22.4567 30.8076 -6.371 30.8077 -6.39332 12.9956 -6.37102 12.9956 6.17028 GPRESSAVG: 139200 -22.0552 29.947 -3.67285 31.4702 -6.39551 13.7068 -6.33526 11.9363 5.3255 TIMING: 139200 CPU: 438.139, 0.00315238/step Wall: 438.139, 0.00315238/step, 4.25641 hours remaining, 234.273438 MB of memory in use. ENERGY: 139200 4015.7852 20502.2276 14450.0773 255.2335 -203365.5923 2541.1706 0.0000 0.0000 52096.1947 -109504.9034 299.3975 -161601.0981 -109135.5936 299.1862 -219.5419 -190.9993 760602.9778 -7.5599 -7.7084 PRESSURE: 139400 -282.258 -155.228 -198.713 -155.229 -241.685 -209.584 -198.712 -209.583 -82.923 GPRESSURE: 139400 -182.043 -84.4925 -115.279 -120.681 -253.498 -223.206 -159.72 -82.1812 -70.9858 PRESSAVG: 139400 17.4235 -18.1719 -1.4676 -18.1719 14.8289 -1.56819 -1.46761 -1.56821 4.86399 GPRESSAVG: 139400 17.1126 -15.883 -3.0931 -18.0472 14.9938 -0.491881 -2.45168 -0.248136 5.60131 TIMING: 139400 CPU: 438.771, 0.00315813/step Wall: 438.771, 0.00315813/step, 4.264 hours remaining, 234.273438 MB of memory in use. ENERGY: 139400 4071.6401 20365.9311 14420.5986 274.8558 -203047.4891 2303.8528 0.0000 0.0000 52146.9088 -109463.7020 299.6890 -161610.6108 -109114.5022 299.0339 -202.2887 -168.8426 761728.4251 12.3721 12.5692 PRESSURE: 139600 161.49 80.0028 -124.304 80.0022 -260.389 91.6627 -124.303 91.6645 -329.313 GPRESSURE: 139600 94.8553 -7.4289 -119.342 -19.709 -129.978 138.583 -25.2313 86.6272 -309.201 PRESSAVG: 139600 17.4841 -8.58254 8.95995 -8.58256 -10.2668 44.0653 8.96004 44.0653 4.68557 GPRESSAVG: 139600 16.9232 -9.36621 8.97669 -8.95044 -10.1868 43.0746 9.68195 44.3414 5.51812 TIMING: 139600 CPU: 439.4, 0.00314432/step Wall: 439.4, 0.00314432/step, 4.24518 hours remaining, 234.273438 MB of memory in use. ENERGY: 139600 4048.5306 20569.4976 14450.1624 248.8308 -203302.0684 2609.5988 0.0000 0.0000 51830.7208 -109544.7273 297.8719 -161375.4482 -109187.7680 299.0812 -142.7376 -114.7748 762351.1037 3.9676 4.0848 PRESSURE: 139800 -73.5307 -103.681 146.809 -103.681 -70.3041 156.71 146.81 156.711 418.588 GPRESSURE: 139800 -63.856 -111.548 140.57 -30.4888 35.3716 132.115 102.286 218.965 394.928 PRESSAVG: 139800 62.819 -67.1082 9.62458 -67.1083 -31.0567 58.9254 9.62459 58.9255 0.694828 GPRESSAVG: 139800 64.0985 -66.7237 7.63653 -68.2107 -32.7548 58.6905 9.75074 59.7391 1.19534 TIMING: 139800 CPU: 440.031, 0.00315317/step Wall: 440.031, 0.00315317/step, 4.25695 hours remaining, 234.273438 MB of memory in use. ENERGY: 139800 3970.2643 20351.0390 14462.3065 240.4849 -203143.5316 2350.1559 0.0000 0.0000 52069.3381 -109699.9430 299.2432 -161769.2810 -109328.4855 298.8990 91.5844 122.1478 761223.5898 10.8190 10.8463 PRESSURE: 140000 363.416 -262.16 -106.793 -262.161 159.274 -134.957 -106.793 -134.958 -295.958 GPRESSURE: 140000 357.204 -159.316 -92.3301 -159.486 152.726 -203.044 -102.243 -115.523 -182.685 PRESSAVG: 140000 15.4552 31.2326 -24.7567 31.2326 4.13944 7.6195 -24.7568 7.61958 4.60701 GPRESSAVG: 140000 14.7378 30.7274 -20.9734 31.0129 5.51506 7.58592 -27.0384 5.10971 4.1367 TIMING: 140000 CPU: 440.657, 0.00313134/step Wall: 440.657, 0.00313134/step, 4.2273 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 3973.3317 20440.0121 14488.8542 232.0563 -203478.3106 2944.3627 0.0000 0.0000 51966.2676 -109433.4259 298.6509 -161399.6935 -109075.9842 298.9592 75.5773 109.0818 760996.3940 8.0672 8.1299 PRESSURE: 140200 92.3216 -130.973 -87.2849 -130.972 -31.1976 117.827 -87.2849 117.825 30.1072 GPRESSURE: 140200 184.231 -66.5604 -39.0893 -128.477 10.2263 119.788 -80.8914 148.555 -26.6094 PRESSAVG: 140200 67.0837 -35.0804 -3.22541 -35.0804 -27.8097 12.7528 -3.22547 12.7529 -27.9665 GPRESSAVG: 140200 66.812 -35.0829 -6.1558 -32.5964 -26.6174 14.3062 -0.92494 15.2407 -28.0681 TIMING: 140200 CPU: 441.282, 0.0031239/step Wall: 441.282, 0.0031239/step, 4.2171 hours remaining, 234.273438 MB of memory in use. ENERGY: 140200 3953.3417 20531.2924 14382.4503 253.2804 -203222.9208 2570.6542 0.0000 0.0000 52095.4770 -109436.4247 299.3934 -161531.9018 -109067.3668 298.9867 30.4104 55.9495 762103.0174 3.7692 4.0422 LDB: ============= START OF LOAD BALANCING ============== 453.73 LDB: ============== END OF LOAD BALANCING =============== 453.731 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 453.732 LDB: ============= START OF LOAD BALANCING ============== 454.044 LDB: Largest compute 7077 load 0.036321 is 18.6% of average load 0.194812 LDB: Average compute 0.004389 is 2.3% of average load 0.194812 LDB: TIME 454.047 LOAD: AVG 0.194812 MAX 0.213635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.535 MB LDB: TIME 454.048 LOAD: AVG 0.194812 MAX 0.213635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: TIME 454.048 LOAD: AVG 0.194812 MAX 0.213635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.535 MB LDB: ============== END OF LOAD BALANCING =============== 454.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 454.054 PRESSURE: 140400 -46.3706 94.1252 240.17 94.126 -223.084 -11.8705 240.17 -11.8705 -240.517 GPRESSURE: 140400 74.6293 107.534 290.1 112.976 -235.394 -16.5123 192.974 -12.1597 -266.387 PRESSAVG: 140400 -2.60942 7.78217 7.16683 7.78219 15.2538 23.3436 7.1668 23.3435 27.4287 GPRESSAVG: 140400 -0.535605 7.65977 8.5422 6.87678 13.7179 23.4697 3.18013 21.6024 26.643 TIMING: 140400 CPU: 441.919, 0.00318587/step Wall: 441.919, 0.00318587/step, 4.30058 hours remaining, 236.269531 MB of memory in use. ENERGY: 140400 4003.2099 20418.1659 14470.8232 256.6372 -203119.6069 2439.5575 0.0000 0.0000 51966.0954 -109565.1179 298.6499 -161531.2132 -109207.0118 298.9528 -169.9905 -142.3840 761428.5490 13.3577 13.2751 PRESSURE: 140600 22.2223 116.222 -46.7943 116.222 143.463 37.4661 -46.7936 37.4649 123.056 GPRESSURE: 140600 94.465 28.2076 -19.5159 104.143 111.681 78.3927 -80.1181 -41.0287 188.945 PRESSAVG: 140600 2.91194 -44.015 47.7873 -44.0149 28.7739 12.4773 47.7873 12.4772 0.946611 GPRESSAVG: 140600 2.47072 -42.8085 47.73 -46.628 28.7666 11.5676 49.8247 11.7863 1.52561 TIMING: 140600 CPU: 442.543, 0.00312167/step Wall: 442.543, 0.00312167/step, 4.21374 hours remaining, 236.472656 MB of memory in use. ENERGY: 140600 3886.3837 20465.7555 14410.4816 237.7207 -203024.6252 2508.7739 0.0000 0.0000 52176.8469 -109338.6628 299.8611 -161515.5097 -108970.5686 298.7662 96.2471 131.6973 760701.0018 10.8775 10.9210 PRESSURE: 140800 183.13 -92.5681 363.491 -92.5674 -162.145 -134.95 363.492 -134.949 -112.085 GPRESSURE: 140800 224.256 -107.397 432.958 -36.8549 -80.4951 -102.306 263.919 -223.862 -133.778 PRESSAVG: 140800 20.9214 -7.79021 22.3412 -7.79015 -12.4141 47.5349 22.3413 47.535 -6.09272 GPRESSAVG: 140800 20.036 -9.26435 22.1692 -6.03287 -12.1423 47.7134 23.6187 47.9678 -5.56758 TIMING: 140800 CPU: 443.172, 0.0031465/step Wall: 443.172, 0.0031465/step, 4.24708 hours remaining, 236.472656 MB of memory in use. ENERGY: 140800 3993.1887 20545.6957 14408.7921 270.7100 -202885.2463 2359.9855 0.0000 0.0000 52095.0887 -109211.7855 299.3912 -161306.8742 -108855.8266 299.3390 -30.3665 3.3279 760619.6071 0.8049 0.7754 PRESSURE: 141000 165.401 -45.5497 -152.688 -45.55 -429.784 194.516 -152.688 194.516 -147.605 GPRESSURE: 141000 113.854 5.11529 -51.3814 10.7054 -357.824 135.577 -109.152 210.957 -61.6529 PRESSAVG: 141000 20.9844 -48.2208 -1.24531 -48.2208 -63.4557 70.8709 -1.24539 70.8709 2.9717 GPRESSAVG: 141000 21.9435 -48.1717 -1.6274 -47.2679 -63.7254 69.7082 -1.75644 72.4404 2.16382 TIMING: 141000 CPU: 443.8, 0.00313856/step Wall: 443.8, 0.00313856/step, 4.23619 hours remaining, 236.472656 MB of memory in use. ENERGY: 141000 3968.7325 20387.1974 14408.5611 233.2478 -202729.1581 2222.9905 0.0000 0.0000 52214.7556 -109293.6731 300.0789 -161508.4288 -108931.8498 299.3070 -137.3294 -101.8743 761756.3463 -13.1665 -13.2060 PRESSURE: 141200 127.441 -67.981 21.177 -67.9816 -40.6634 -76.5571 21.1768 -76.5571 262.383 GPRESSURE: 141200 174.387 -93.3215 82.3238 -47.6181 -21.0554 -19.1348 40.0647 -57.4023 282.88 PRESSAVG: 141200 13.5276 12.7436 -16.4918 12.7436 -3.53036 63.8877 -16.4917 63.8878 -27.0754 GPRESSAVG: 141200 13.2532 14.1069 -15.8831 12.0307 -3.24778 65.0664 -15.399 63.9479 -26.9351 TIMING: 141200 CPU: 444.427, 0.00313599/step Wall: 444.427, 0.00313599/step, 4.23254 hours remaining, 236.472656 MB of memory in use. ENERGY: 141200 3999.9356 20424.2087 14444.2228 250.9060 -203332.6358 2640.8614 0.0000 0.0000 52148.3253 -109424.1760 299.6971 -161572.5013 -109067.6640 299.2802 116.3869 145.4040 761777.1324 -5.6927 -5.6432 PRESSURE: 141400 -229.882 128.811 -217.981 128.812 18.6011 196.47 -217.981 196.47 -132.199 GPRESSURE: 141400 -213.442 81.395 -289.955 178.911 40.5468 190.231 -217.57 161.077 -98.0066 PRESSAVG: 141400 -27.4733 -34.087 8.38087 -34.087 27.7791 8.96167 8.38089 8.96174 5.38287 GPRESSAVG: 141400 -28.6858 -34.3691 7.57385 -35.9279 28.6651 9.5936 6.60621 8.26215 6.28257 TIMING: 141400 CPU: 445.055, 0.00313849/step Wall: 445.055, 0.00313849/step, 4.23574 hours remaining, 236.472656 MB of memory in use. ENERGY: 141400 4044.9030 20628.1645 14418.0815 256.4001 -203064.3935 2425.3581 0.0000 0.0000 52009.7812 -109281.7051 298.9009 -161291.4863 -108915.5682 298.8521 -114.4930 -90.3006 763186.8652 1.8962 2.0873 PRESSURE: 141600 -448.747 -1.75674 -83.1211 -1.75662 -564.211 312.725 -83.1216 312.725 -277.841 GPRESSURE: 141600 -387.131 -4.49773 5.5482 34.3779 -522.95 239.061 -249.218 214.368 -286.344 PRESSAVG: 141600 -19.9777 4.49916 41.2596 4.49915 13.8946 23.8532 41.2596 23.8532 10.2179 GPRESSAVG: 141600 -19.1922 2.93842 41.1919 5.6379 13.6441 23.657 41.4574 24.5472 9.51702 TIMING: 141600 CPU: 445.682, 0.00313307/step Wall: 445.682, 0.00313307/step, 4.22826 hours remaining, 236.472656 MB of memory in use. ENERGY: 141600 3935.8419 20661.0703 14406.1468 240.5422 -202631.7523 2135.6661 0.0000 0.0000 52098.4646 -109154.0204 299.4106 -161252.4850 -108789.8138 299.4825 -430.2663 -398.8083 764687.6535 1.3783 1.3230 PRESSURE: 141800 -149.027 -124.136 -50.4794 -124.136 -325.482 162.764 -50.4798 162.764 -236.503 GPRESSURE: 141800 -57.3145 -166.939 7.59291 -6.93395 -396.368 214.129 -204.107 150.571 -146.246 PRESSAVG: 141800 -12.8203 -88.8619 17.4009 -88.862 -15.0634 -11.706 17.4009 -11.7061 12.7662 GPRESSAVG: 141800 -11.8406 -90.5053 16.8907 -86.4278 -15.7721 -11.6766 19.1163 -15.3136 12.9776 TIMING: 141800 CPU: 446.312, 0.00315203/step Wall: 446.312, 0.00315203/step, 4.25366 hours remaining, 236.472656 MB of memory in use. ENERGY: 141800 4048.0100 20453.0028 14480.1321 232.2646 -203431.9263 2739.5554 0.0000 0.0000 52302.4117 -109176.5497 300.5827 -161478.9614 -108811.9967 299.2843 -237.0040 -199.9759 762223.8645 -5.0392 -4.8784 PRESSURE: 142000 13.1209 219.202 -41.8863 219.201 -1.2425 -73.3012 -41.8864 -73.302 -100.038 GPRESSURE: 142000 35.4693 86.2212 -88.9943 323.788 65.9811 -68.6105 -89.607 20.3948 -113.598 PRESSAVG: 142000 -80.6031 -36.9516 16.0592 -36.9515 49.0762 41.9865 16.0593 41.9865 -3.36215 GPRESSAVG: 142000 -80.7784 -33.8359 16.2362 -39.3187 49.0589 39.9215 14.111 46.7893 -3.43608 TIMING: 142000 CPU: 446.943, 0.0031557/step Wall: 446.943, 0.0031557/step, 4.25844 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: 142000 3937.7034 20498.7468 14454.5928 242.1494 -203050.4347 2403.2942 0.0000 0.0000 52152.1551 -109361.7930 299.7192 -161513.9481 -108997.6784 299.3975 -29.3866 -4.0491 763439.7239 -11.6297 -11.7185 PRESSURE: 142200 -458.759 -197.225 -91.1874 -197.225 -57.9722 -94.8946 -91.1866 -94.8941 4.69986 GPRESSURE: 142200 -421.792 -230.933 -75.9905 -91.6895 -6.98109 -117.463 -216.079 -58.0969 -1.16718 PRESSAVG: 142200 -35.6921 -38.7616 28.1921 -38.7616 39.8412 41.7879 28.1922 41.7878 17.1687 GPRESSAVG: 142200 -36.3532 -38.4339 29.1098 -37.8274 39.8797 42.3295 27.659 39.9782 17.8175 TIMING: 142200 CPU: 447.568, 0.00312375/step Wall: 447.568, 0.00312375/step, 4.21515 hours remaining, 236.472656 MB of memory in use. ENERGY: 142200 4053.8187 20579.3072 14386.0637 237.8013 -203057.5191 2462.5856 0.0000 0.0000 52207.0192 -109130.9236 300.0345 -161337.9428 -108765.2710 299.2939 -170.6771 -143.3136 763635.4850 7.1059 7.1147 PRESSURE: 142400 238.373 174.975 254.876 174.975 -110.099 285.492 254.877 285.492 125.662 GPRESSURE: 142400 220.53 145.837 157.775 205.608 -56.3101 231.678 283.444 369.783 163.985 PRESSAVG: 142400 -1.81468 31.2769 11.4317 31.2769 18.9663 53.4041 11.4317 53.4041 24.7551 GPRESSAVG: 142400 -1.73834 28.4616 12.0238 31.9622 19.0693 54.2505 12.9962 54.771 24.731 TIMING: 142400 CPU: 448.195, 0.00313679/step Wall: 448.195, 0.00313679/step, 4.23258 hours remaining, 236.472656 MB of memory in use. ENERGY: 142400 4025.5703 20572.4877 14503.0990 261.8795 -203333.1052 2570.8471 0.0000 0.0000 52095.9190 -109303.3028 299.3960 -161399.2217 -108946.9423 299.7720 84.6455 109.4014 761865.3593 13.9689 14.0206 PRESSURE: 142600 262.702 -228.63 -64.4644 -228.631 545.704 -226.459 -64.4642 -226.458 861.751 GPRESSURE: 142600 430.269 -125.945 -23.5894 -190.984 498.248 -184.265 -260.772 -330.484 858.386 PRESSAVG: 142600 -68.6091 -35.2915 10.7551 -35.2914 58.1887 -3.5388 10.7551 -3.53873 8.54002 GPRESSAVG: 142600 -67.5135 -34.4215 10.5091 -35.3627 57.6896 -4.07923 10.6181 -5.93848 8.13473 TIMING: 142600 CPU: 448.823, 0.00313994/step Wall: 448.823, 0.00313994/step, 4.23665 hours remaining, 236.472656 MB of memory in use. ENERGY: 142600 3929.1148 20457.2141 14466.8993 251.8342 -203591.7703 3011.6753 0.0000 0.0000 51957.9737 -109517.0590 298.6032 -161475.0327 -109156.6325 298.8895 556.7188 595.6344 761035.1190 -0.6268 -0.5631 PRESSURE: 142800 49.1997 -68.8911 -200.578 -68.8907 -54.6273 -100.218 -200.578 -100.217 -59.7953 GPRESSURE: 142800 83.2991 -89.8233 -137.374 -88.3963 17.6517 -87.0372 -251.552 -86.5683 -67.3524 PRESSAVG: 142800 -40.7794 -31.5403 -13.0863 -31.5402 32.3419 -39.3874 -13.0863 -39.3873 -0.563389 GPRESSAVG: 142800 -42.6996 -29.89 -14.0202 -32.6483 33.933 -38.9722 -11.287 -37.592 -0.385135 TIMING: 142800 CPU: 449.448, 0.00312287/step Wall: 449.448, 0.00312287/step, 4.21345 hours remaining, 236.472656 MB of memory in use. ENERGY: 142800 3917.0278 20299.2230 14471.8173 250.6986 -203032.1847 2427.9116 0.0000 0.0000 51970.5240 -109694.9822 298.6753 -161665.5062 -109325.3411 298.5316 -21.7409 11.1994 762254.9370 -3.0003 -3.0506 PRESSURE: 143000 -401.894 5.12455 29.1852 5.12427 -332.533 -154.331 29.1854 -154.332 -214.057 GPRESSURE: 143000 -355.136 -62.2457 196.956 27.8443 -284.326 -52.9882 111.148 -238.859 -204.98 PRESSAVG: 143000 -34.1468 -72.2896 4.4397 -72.2896 26.0663 8.24376 4.43969 8.2437 -8.77855 GPRESSAVG: 143000 -32.5494 -73.1732 6.23294 -72.0989 26.3189 10.0147 3.01272 6.71671 -9.81996 TIMING: 143000 CPU: 450.075, 0.0031346/step Wall: 450.075, 0.0031346/step, 4.22909 hours remaining, 236.472656 MB of memory in use. ENERGY: 143000 3973.3147 20508.2647 14379.1940 242.5428 -203320.9443 2577.3850 0.0000 0.0000 51920.1842 -109720.0588 298.3860 -161640.2430 -109355.0527 298.5115 -316.1613 -281.4806 762301.7844 -5.6197 -5.3502 PRESSURE: 143200 48.6423 -45.0592 251.188 -45.0594 -20.7547 198.704 251.187 198.705 53.8929 GPRESSURE: 143200 64.3325 -56.5979 136.439 -55.385 39.1261 166.119 233.877 150.638 70.7277 PRESSAVG: 143200 -33.5977 -28.119 0.192967 -28.119 20.8895 18.3766 0.192953 18.3766 9.50217 GPRESSAVG: 143200 -33.9835 -27.24 -1.04058 -29.5066 21.0708 17.4593 0.648155 19.6417 9.98596 TIMING: 143200 CPU: 450.701, 0.00313037/step Wall: 450.701, 0.00313037/step, 4.22321 hours remaining, 236.472656 MB of memory in use. ENERGY: 143200 4039.8877 20453.2221 14495.4602 247.3382 -203608.5734 2492.4073 0.0000 0.0000 51979.8286 -109900.4295 298.7288 -161880.2580 -109544.1892 298.5062 27.2602 58.0621 759170.2998 -1.0687 -0.9756 PRESSURE: 143400 57.6882 129.121 -45.513 129.121 -31.267 -29.1296 -45.5133 -29.1295 -33.7411 GPRESSURE: 143400 145.71 32.4479 -4.6671 126.736 -46.8321 -73.26 -134.519 54.4158 -12.2709 PRESSAVG: 143400 -62.2464 -41.0387 -6.93346 -41.0387 52.9741 37.0163 -6.9335 37.0163 -9.12148 GPRESSAVG: 143400 -62.6008 -39.8331 -8.48527 -39.4519 52.2793 36.2813 -6.48389 35.816 -8.71839 TIMING: 143400 CPU: 451.329, 0.00314095/step Wall: 451.329, 0.00314095/step, 4.23731 hours remaining, 236.472656 MB of memory in use. ENERGY: 143400 3955.0227 20416.2699 14462.2770 247.5104 -203452.7532 2713.7901 0.0000 0.0000 51754.3042 -109903.5790 297.4327 -161657.8832 -109542.8416 298.3567 -2.4400 28.8692 760172.7269 -6.1312 -6.3466 PRESSURE: 143600 -6.80918 -128.308 -67.1743 -128.308 -50.1038 16.0253 -67.1756 16.0247 -361.135 GPRESSURE: 143600 -59.9154 -142.046 -57.0474 -109.5 127.815 -6.05404 -21.1445 -76.0248 -384.41 PRESSAVG: 143600 -56.218 -59.1539 -14.1095 -59.1539 37.1707 3.13211 -14.1094 3.1321 -19.4635 GPRESSAVG: 143600 -56.0361 -61.5498 -11.5969 -59.6641 37.1148 1.68397 -14.8697 3.07976 -19.6407 TIMING: 143600 CPU: 451.955, 0.00313209/step Wall: 451.955, 0.00313209/step, 4.22519 hours remaining, 236.472656 MB of memory in use. ENERGY: 143600 4032.4992 20495.2922 14479.0882 232.6658 -203802.6692 2810.1235 0.0000 0.0000 51867.4746 -109885.5256 298.0831 -161753.0002 -109542.1640 298.0635 -139.3494 -105.5035 761645.6947 -12.8370 -12.8540 PRESSURE: 143800 -573.021 -43.2017 170.747 -43.2027 -124.574 224.697 170.746 224.697 -434.783 GPRESSURE: 143800 -555.164 31.8171 118.63 103.732 -142.834 286.807 109.724 132.217 -318.87 PRESSAVG: 143800 -48.6113 6.58651 -30.4073 6.58651 92.0125 -57.9533 -30.4073 -57.9533 -2.36223 GPRESSAVG: 143800 -50.2733 6.68216 -31.1797 6.65466 93.1972 -56.1158 -32.4174 -56.9654 -1.24188 TIMING: 143800 CPU: 452.583, 0.00313695/step Wall: 452.583, 0.00313695/step, 4.23157 hours remaining, 236.472656 MB of memory in use. ENERGY: 143800 4040.5129 20527.1934 14494.5032 248.1146 -203705.4341 2606.4708 0.0000 0.0000 51883.8601 -109904.7792 298.1773 -161788.6392 -109541.4933 298.6496 -377.4595 -338.9562 762282.1582 13.6797 13.8940 PRESSURE: 144000 -253.243 279.487 -72.9165 279.487 -126.742 56.8671 -72.9169 56.8675 8.9262 GPRESSURE: 144000 -179.599 109.895 -88.6778 187.024 -60.7418 12.8428 -2.61264 111.556 -49.5947 PRESSAVG: 144000 -63.2085 -39.0124 -14.3716 -39.0124 55.4174 -3.08113 -14.3716 -3.08113 -9.39103 GPRESSAVG: 144000 -61.2275 -40.0597 -13.3256 -39.3702 55.6037 -5.10429 -13.2316 -1.79297 -11.2492 TIMING: 144000 CPU: 453.212, 0.00314729/step Wall: 453.212, 0.00314729/step, 4.24535 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: 144000 4028.6814 20427.6301 14520.0559 251.4374 -203568.6616 2540.6985 0.0000 0.0000 51824.4908 -109975.6674 297.8361 -161800.1582 -109609.7957 298.1896 -123.6862 -96.6451 761839.2130 -5.7274 -5.6243 PRESSURE: 144200 -87.4409 -94.6708 79.93 -94.6715 -194.287 -90.68 79.93 -90.6796 -710.577 GPRESSURE: 144200 -70.3415 -87.8727 118.196 -68.1677 -149.925 -188.018 32.061 -43.1742 -677.095 PRESSAVG: 144200 -21.7403 -69.5738 -33.1116 -69.5738 61.4334 25.4392 -33.1116 25.4393 -13.9963 GPRESSAVG: 144200 -23.2515 -67.3521 -33.6311 -70.7294 61.016 25.9521 -32.3691 24.5557 -12.2857 TIMING: 144200 CPU: 453.847, 0.00317512/step Wall: 453.847, 0.00317512/step, 4.2827 hours remaining, 236.472656 MB of memory in use. ENERGY: 144200 4075.0771 20520.5489 14447.8295 227.4780 -203544.3320 2389.8495 0.0000 0.0000 52081.1049 -109802.4442 299.3108 -161883.5491 -109439.8177 298.1419 -330.7683 -299.1204 761665.8337 8.5656 8.4929 LDB: ============= START OF LOAD BALANCING ============== 466.302 LDB: ============== END OF LOAD BALANCING =============== 466.302 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 466.304 LDB: ============= START OF LOAD BALANCING ============== 466.622 LDB: Largest compute 7077 load 0.038752 is 19.9% of average load 0.194725 LDB: Average compute 0.004355 is 2.2% of average load 0.194725 LDB: TIME 466.626 LOAD: AVG 0.194725 MAX 0.213232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.535 MB LDB: TIME 466.626 LOAD: AVG 0.194725 MAX 0.213232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 466.626 LOAD: AVG 0.194725 MAX 0.213232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 466.628 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 466.633 PRESSURE: 144400 112.272 -66.6677 -43.9387 -66.6685 57.3653 -56.6986 -43.94 -56.7009 -221.614 GPRESSURE: 144400 241.767 -6.35246 -24.8534 -125.063 50.4639 -18.1592 18.2596 -101.539 -235.207 PRESSAVG: 144400 -7.78301 -12.0854 20.8028 -12.0854 20.6978 -61.8009 20.8029 -61.8009 4.99232 GPRESSAVG: 144400 -7.33723 -12.7785 19.926 -10.1911 19.947 -59.0465 20.1152 -63.6969 5.12102 TIMING: 144400 CPU: 454.497, 0.00325098/step Wall: 454.497, 0.00325098/step, 4.38485 hours remaining, 235.558594 MB of memory in use. ENERGY: 144400 4036.0893 20399.3346 14481.7549 241.9671 -203947.3268 2956.3215 0.0000 0.0000 52102.3192 -109729.5402 299.4327 -161831.8594 -109361.6203 298.8433 -17.3259 19.0080 762534.2734 5.9690 5.9103 PRESSURE: 144600 161.414 12.7154 8.84844 12.7162 159.686 -17.5669 8.8486 -17.5664 170.666 GPRESSURE: 144600 154.755 18.965 -4.61269 122.793 206.563 -34.1537 -7.44836 14.9505 213.378 PRESSAVG: 144600 0.243901 -8.04201 0.331283 -8.04201 -59.1888 -34.704 0.33123 -34.7039 -9.8429 GPRESSAVG: 144600 0.811745 -7.85804 0.568817 -7.55771 -58.1402 -36.844 1.05116 -32.3494 -11.3889 TIMING: 144600 CPU: 455.128, 0.00315241/step Wall: 455.128, 0.00315241/step, 4.25173 hours remaining, 235.703125 MB of memory in use. ENERGY: 144600 3975.7689 20563.2186 14467.9671 241.2853 -203746.1212 2986.0937 0.0000 0.0000 51814.3300 -109697.4576 297.7777 -161511.7876 -109341.5840 298.4365 163.9222 191.5654 763368.8457 -22.9293 -22.9058 PRESSURE: 144800 -74.476 -10.258 370.44 -10.2573 13.7836 -170.593 370.439 -170.592 -220.49 GPRESSURE: 144800 -120.336 14.391 287.627 -86.5274 65.0163 -208.523 363.313 -119.99 -142.064 PRESSAVG: 144800 2.64558 -15.2583 9.53845 -15.2583 50.7819 -28.6197 9.53852 -28.6196 -4.31267 GPRESSAVG: 144800 2.94753 -15.4618 9.77633 -16.3653 50.0614 -28.3523 9.63354 -29.0299 -4.06792 TIMING: 144800 CPU: 455.762, 0.00317255/step Wall: 455.762, 0.00317255/step, 4.27871 hours remaining, 235.703125 MB of memory in use. ENERGY: 144800 3949.1292 20662.8653 14416.7299 246.4412 -203552.6528 2695.4435 0.0000 0.0000 51770.2825 -109811.7613 297.5245 -161582.0438 -109459.8113 298.7907 -93.7273 -65.7948 763223.3063 16.3716 16.3137 PRESSURE: 145000 5.77762 87.504 78.0121 87.5032 -133.344 -9.85186 78.0113 -9.85226 -61.8563 GPRESSURE: 145000 20.4971 64.1869 248.004 -39.7644 -81.8308 -78.4745 20.2154 -8.70579 -44.5534 PRESSAVG: 145000 0.662841 -2.20983 10.9972 -2.20987 52.1004 -23.4569 10.9972 -23.457 -12.1251 GPRESSAVG: 145000 0.543061 -2.06558 9.02988 -3.00442 51.6048 -26.1419 11.9407 -23.7621 -11.8373 TIMING: 145000 CPU: 456.403, 0.00320247/step Wall: 456.403, 0.00320247/step, 4.31889 hours remaining, 235.703125 MB of memory in use. ENERGY: 145000 3960.7462 20444.7887 14456.9861 226.7200 -203489.9028 2631.1511 0.0000 0.0000 51964.4235 -109805.0871 298.6403 -161769.5106 -109448.5685 298.4021 -63.1408 -35.2957 762850.0750 13.5460 13.4369 PRESSURE: 145200 -252.359 -29.8188 155.697 -29.8196 -228.772 -4.48131 155.697 -4.48141 -239.222 GPRESSURE: 145200 -209.12 -70.9249 170.733 12.6914 -223.175 54.7752 46.6557 104.452 -183.502 PRESSAVG: 145200 -6.21155 -35.9408 14.5605 -35.9408 59.8657 38.1575 14.5604 38.1575 -0.28296 GPRESSAVG: 145200 -7.16718 -34.5264 16.5178 -37.1336 59.7525 39.8946 14.4985 41.3594 0.296073 TIMING: 145200 CPU: 457.042, 0.0031934/step Wall: 457.042, 0.0031934/step, 4.30648 hours remaining, 235.703125 MB of memory in use. ENERGY: 145200 4070.2315 20363.3257 14431.1777 245.1534 -203551.1958 2892.2287 0.0000 0.0000 52017.9724 -109531.1063 298.9480 -161549.0787 -109175.1371 298.4294 -240.1177 -205.2657 762344.1632 17.7904 17.6271 PRESSURE: 145400 -67.468 38.2464 291.794 38.2467 90.15 111.726 291.795 111.726 -115.778 GPRESSURE: 145400 32.2312 101.831 288.59 22.7989 52.3373 126.681 271.87 27.5107 -90.1239 PRESSAVG: 145400 -1.72277 -6.84704 -19.8029 -6.84703 -12.9847 2.60677 -19.8029 2.60675 -25.6916 GPRESSAVG: 145400 -0.82077 -8.38108 -20.594 -4.46734 -13.7558 1.81088 -22.4089 0.0330442 -25.7085 TIMING: 145400 CPU: 457.672, 0.00315048/step Wall: 457.672, 0.00315048/step, 4.24843 hours remaining, 235.703125 MB of memory in use. ENERGY: 145400 4012.5250 20383.7615 14510.0065 249.5010 -203667.1905 2827.2156 0.0000 0.0000 52167.6147 -109516.5662 299.8080 -161684.1809 -109156.1206 298.6931 -31.0321 -1.8518 761670.0998 -13.4664 -13.4284 PRESSURE: 145600 -175.183 37.9533 17.2337 37.9528 -107.156 -318.949 17.2339 -318.949 170.85 GPRESSURE: 145600 -142.176 73.4766 50.4221 77.4567 -26.3794 -342.584 79.0251 -278.032 127.112 PRESSAVG: 145600 -21.9073 -42.471 6.27597 -42.471 -1.02914 21.6742 6.27596 21.6742 -0.923385 GPRESSAVG: 145600 -22.3239 -44.2439 7.29318 -42.493 0.494041 20.5369 6.69971 22.8895 -2.05878 TIMING: 145600 CPU: 458.303, 0.00315444/step Wall: 458.303, 0.00315444/step, 4.25359 hours remaining, 235.703125 MB of memory in use. ENERGY: 145600 3927.1563 20436.4434 14511.0781 234.6629 -203182.8353 2717.8299 0.0000 0.0000 51869.4752 -109486.1895 298.0946 -161355.6648 -109121.0252 298.8546 -37.1630 -13.8145 763616.6871 -7.9533 -7.9629 PRESSURE: 145800 -88.6928 -15.3338 -158.681 -15.3342 -171.735 227.706 -158.681 227.706 -485.626 GPRESSURE: 145800 -109.405 -65.2593 -167.295 46.9898 -185.632 189.579 -77.716 300.02 -360.981 PRESSAVG: 145800 -89.4823 1.99214 12.2805 1.99218 57.4768 15.6061 12.2805 15.6061 0.313191 GPRESSAVG: 145800 -90.1209 4.39574 12.281 4.10596 56.5347 19.7805 13.4079 14.0453 1.72125 TIMING: 145800 CPU: 458.936, 0.00316436/step Wall: 458.936, 0.00316436/step, 4.26679 hours remaining, 235.703125 MB of memory in use. ENERGY: 145800 3944.2884 20337.3056 14502.9394 267.0152 -203046.7410 2462.2284 0.0000 0.0000 52109.6145 -109423.3495 299.4747 -161532.9640 -109057.6121 298.9840 -248.6844 -218.6728 765381.4423 -10.5641 -10.6217 PRESSURE: 146000 147.837 -121.821 284.326 -121.821 -11.0652 13.6115 284.326 13.6113 189.338 GPRESSURE: 146000 147.76 -157.472 318.119 -172.996 38.2088 12.2467 282.801 39.3402 224.916 PRESSAVG: 146000 -32.4818 -43.8152 10.9771 -43.8152 20.3782 0.0583992 10.9771 0.0582479 15.6147 GPRESSAVG: 146000 -33.7631 -43.3359 9.42743 -46.2737 20.7719 -1.9902 11.1996 1.47951 15.6216 TIMING: 146000 CPU: 459.564, 0.00314152/step Wall: 459.564, 0.00314152/step, 4.23581 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: 146000 3864.7076 20550.0448 14465.4771 223.1617 -203326.4813 2715.0758 0.0000 0.0000 52125.6019 -109382.4124 299.5666 -161508.0143 -109027.5470 299.2696 108.7032 136.9616 762245.0242 1.1703 0.8768 PRESSURE: 146200 249.883 4.13815 214.715 4.13732 -51.0686 20.6213 214.715 20.6218 -157.721 GPRESSURE: 146200 159.018 -105.432 256.037 71.9708 20.7 119.782 123.509 -59.6871 -65.6514 PRESSAVG: 146200 -47.7836 5.32025 36.2081 5.32022 28.2688 23.3108 36.208 23.3107 0.830116 GPRESSAVG: 146200 -46.6253 1.4894 36.9397 7.65838 29.0139 24.8268 34.2002 21.9306 -0.422662 TIMING: 146200 CPU: 460.192, 0.00314289/step Wall: 460.192, 0.00314289/step, 4.23749 hours remaining, 235.703125 MB of memory in use. ENERGY: 146200 3924.5074 20357.9681 14472.7124 262.3439 -203124.5846 2461.4545 0.0000 0.0000 52174.4606 -109471.1377 299.8473 -161645.5983 -109113.3861 299.3420 13.6978 38.0223 762786.7095 -6.2282 -6.0113 PRESSURE: 146400 -204.668 84.2912 -78.7944 84.2916 383.467 7.93822 -78.794 7.93757 -80.6214 GPRESSURE: 146400 -147.501 7.6677 -40.1439 55.9499 312.336 -81.1924 -150.645 -32.0463 -3.62628 PRESSAVG: 146400 -65.3492 -35.4733 0.729343 -35.4733 61.5168 -26.6645 0.729347 -26.6645 -16.6381 GPRESSAVG: 146400 -65.1296 -32.3762 1.13091 -36.9206 60.6114 -27.692 0.529629 -24.9402 -15.7351 TIMING: 146400 CPU: 460.823, 0.00315302/step Wall: 460.823, 0.00315302/step, 4.25097 hours remaining, 235.703125 MB of memory in use. ENERGY: 146400 3987.8445 20344.5834 14480.4227 244.6160 -203325.6468 2760.8076 0.0000 0.0000 52276.8360 -109230.5366 300.4357 -161507.3726 -108857.0715 299.0596 32.7258 53.7362 761338.6802 -6.8235 -6.7511 PRESSURE: 146600 321.091 -61.5294 -111.654 -61.5304 424.222 -70.8449 -111.654 -70.8455 -85.7345 GPRESSURE: 146600 383.209 -44.7494 -155.587 -25.6527 416.717 -114.833 -167.369 -69.4831 -55.8813 PRESSAVG: 146600 -1.26335 -58.5995 3.13233 -58.5994 23.4662 29.7858 3.13235 29.7857 -7.28385 GPRESSAVG: 146600 -0.110878 -57.8647 1.1772 -58.4759 21.7923 28.6805 2.97078 28.5865 -7.68591 TIMING: 146600 CPU: 461.454, 0.0031551/step Wall: 461.454, 0.0031551/step, 4.2536 hours remaining, 235.703125 MB of memory in use. ENERGY: 146600 3946.6013 20484.5833 14460.1700 228.7535 -203291.9329 2799.0099 0.0000 0.0000 52308.5059 -109064.3091 300.6177 -161372.8149 -108703.0822 299.5215 219.8595 248.0149 762499.0656 4.9730 4.6652 PRESSURE: 146800 -219.051 34.9967 144.192 34.9961 -132.404 -119.733 144.192 -119.733 437.414 GPRESSURE: 146800 -216.958 -46.2226 183.108 64.1025 -8.36885 -39.9535 116.974 -58.5353 408.201 PRESSAVG: 146800 -26.16 -13.8788 -22.2577 -13.8788 2.27666 14.5912 -22.2577 14.5912 18.7312 GPRESSAVG: 146800 -26.3842 -17.0951 -21.6236 -13.3324 3.69024 16.6487 -21.9467 16.2019 18.0555 TIMING: 146800 CPU: 462.087, 0.00316466/step Wall: 462.087, 0.00316466/step, 4.26631 hours remaining, 235.703125 MB of memory in use. ENERGY: 146800 3949.9951 20390.7841 14520.6861 257.9870 -203187.8358 2595.4228 0.0000 0.0000 52070.8864 -109402.0742 299.2521 -161472.9606 -109034.6291 299.8309 28.6528 60.9581 762344.8477 -1.7174 -1.5461 PRESSURE: 147000 159.112 89.9004 -440.685 89.9007 304.478 111.193 -440.685 111.194 232.443 GPRESSURE: 147000 200.187 114.973 -422.313 127.555 293.86 189.204 -268.163 48.5256 305.607 PRESSAVG: 147000 -10.0341 7.1277 -4.21595 7.12775 39.3481 37.1785 -4.21596 37.1785 -21.1983 GPRESSAVG: 147000 -9.88863 9.61037 -3.33252 4.80377 38.3175 37.2622 -1.63863 35.6636 -20.3072 TIMING: 147000 CPU: 462.722, 0.00317471/step Wall: 462.722, 0.00317471/step, 4.27969 hours remaining, 235.703125 MB of memory in use. ENERGY: 147000 3956.7683 20383.7527 14476.0548 232.7795 -203258.1380 2631.2398 0.0000 0.0000 52064.3873 -109513.1556 299.2147 -161577.5429 -109153.7466 299.2701 232.0113 266.5512 762223.8349 2.7053 2.7072 PRESSURE: 147200 -160.929 18.6938 -103.99 18.6928 89.5159 77.8375 -103.989 77.837 -407.166 GPRESSURE: 147200 -100.215 29.9622 -154.979 -29.8588 93.8025 74.6923 -70.9366 -49.4495 -394.614 PRESSAVG: 147200 -62.2096 16.7971 14.3278 16.7971 64.8653 24.8815 14.3279 24.8814 20.8867 GPRESSAVG: 147200 -63.3685 14.9357 14.8007 18.3107 65.7647 23.6299 13.4446 24.4246 21.162 TIMING: 147200 CPU: 463.354, 0.00316067/step Wall: 463.354, 0.00316067/step, 4.26059 hours remaining, 235.703125 MB of memory in use. ENERGY: 147200 4017.2059 20339.9156 14546.2065 250.3222 -203622.0790 2650.9941 0.0000 0.0000 52385.7588 -109431.6759 301.0617 -161817.4347 -109060.6451 299.1434 -159.5266 -133.6753 760979.7929 7.8475 7.8527 PRESSURE: 147400 158.638 40.4976 224.636 40.4965 142.267 178.921 224.635 178.921 219.015 GPRESSURE: 147400 149.303 70.0382 205.119 9.54914 169.182 162.473 174.195 151.371 285.346 PRESSAVG: 147400 -53.1755 37.7727 1.4459 37.7727 42.5768 -10.3208 1.44586 -10.3208 -10.8091 GPRESSAVG: 147400 -53.1403 38.9986 -0.0819798 38.2201 42.9085 -9.82949 1.73061 -9.30829 -10.966 TIMING: 147400 CPU: 463.982, 0.00313975/step Wall: 463.982, 0.00313975/step, 4.23221 hours remaining, 235.703125 MB of memory in use. ENERGY: 147400 4010.8260 20477.0437 14527.5744 252.0303 -203489.4209 2863.2149 0.0000 0.0000 51888.8077 -109469.9239 298.2057 -161358.7316 -109109.3460 299.1269 173.3069 201.2767 762213.0715 -7.1359 -7.0659 PRESSURE: 147600 -183.42 42.4494 -48.1422 42.45 -124.51 29.7374 -48.1431 29.7382 9.52609 GPRESSURE: 147600 -70.6745 56.916 -30.9564 -84.6748 -111.278 -37.9711 -125.901 12.5759 -36.7673 PRESSAVG: 147600 -32.8246 -38.7519 37.8176 -38.7519 9.3527 -2.16465 37.8176 -2.16465 -28.3417 GPRESSAVG: 147600 -32.4907 -37.6486 40.6313 -40.5039 8.31558 -0.957681 35.4717 -2.24456 -27.6921 TIMING: 147600 CPU: 464.612, 0.00315212/step Wall: 464.612, 0.00315212/step, 4.2487 hours remaining, 235.703125 MB of memory in use. ENERGY: 147600 3957.2756 20428.2075 14502.6673 244.3704 -203416.8029 2793.6420 0.0000 0.0000 52151.0128 -109339.6272 299.7126 -161490.6400 -108974.1952 299.1711 -99.4682 -72.9066 763054.5925 -17.2712 -17.2891 PRESSURE: 147800 -171.486 -126.392 20.729 -126.392 -222.429 26.8083 20.7284 26.8073 249.183 GPRESSURE: 147800 -117.072 -117.817 61.2139 -211.118 -83.9395 64.707 -97.6524 -3.71641 145.592 PRESSAVG: 147800 -45.1331 -17.2638 6.57199 -17.2638 29.1029 -2.77669 6.57198 -2.77665 10.1558 GPRESSAVG: 147800 -44.9558 -17.7631 4.24493 -15.8837 30.0034 -5.21323 8.2397 -2.45467 8.89505 TIMING: 147800 CPU: 465.246, 0.00316729/step Wall: 465.246, 0.00316729/step, 4.26897 hours remaining, 235.703125 MB of memory in use. ENERGY: 147800 4005.1803 20598.6975 14524.7907 250.9129 -203324.8268 2628.4841 0.0000 0.0000 52001.2245 -109315.5368 298.8518 -161316.7613 -108961.8849 299.4503 -48.2440 -18.4730 763072.4384 -1.9581 -2.0191 PRESSURE: 148000 50.4301 224.396 -218.157 224.395 290.413 -51.9004 -218.156 -51.9 51.0765 GPRESSURE: 148000 160.478 166.9 -259.492 200.153 306.852 -34.6321 -285.384 52.5786 27.5274 PRESSAVG: 148000 -19.7817 -21.0723 1.59746 -21.0723 20.3167 40.7757 1.59746 40.7757 18.2238 GPRESSAVG: 148000 -20.44 -22.1707 2.31305 -19.7444 19.2717 41.6165 1.74828 39.0416 19.297 TIMING: 148000 CPU: 465.875, 0.00314678/step Wall: 465.875, 0.00314678/step, 4.24116 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: 148000 3990.4643 20476.6407 14463.4415 267.4912 -203756.5974 3071.6181 0.0000 0.0000 52092.7620 -109394.1796 299.3778 -161486.9416 -109036.1029 299.5249 130.6399 164.9526 762995.4688 6.2529 6.0429 PRESSURE: 148200 -477.8 -121.413 -149.074 -121.412 -33.5526 192.722 -149.074 192.72 149.571 GPRESSURE: 148200 -307.653 -155.454 -136.999 -126.762 -41.5301 210.017 -214.512 103.409 106.479 PRESSAVG: 148200 -89.3557 61.81 -12.1563 61.81 97.0788 40.5042 -12.1563 40.5042 6.12953 GPRESSAVG: 148200 -89.3628 60.7068 -13.0239 60.5385 98.4996 40.5179 -13.3156 39.691 5.45378 TIMING: 148200 CPU: 466.51, 0.00317295/step Wall: 466.51, 0.00317295/step, 4.27625 hours remaining, 235.703125 MB of memory in use. ENERGY: 148200 4022.5626 20558.6947 14537.2980 255.8850 -203374.4566 2491.1328 0.0000 0.0000 52095.8075 -109413.0760 299.3953 -161508.8834 -109053.8009 299.3620 -120.5937 -80.9014 761874.0404 4.6175 4.8635 LDB: ============= START OF LOAD BALANCING ============== 478.959 LDB: ============== END OF LOAD BALANCING =============== 478.959 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 478.961 LDB: ============= START OF LOAD BALANCING ============== 479.275 LDB: Largest compute 7073 load 0.036136 is 18.5% of average load 0.194831 LDB: Average compute 0.004380 is 2.2% of average load 0.194831 LDB: TIME 479.279 LOAD: AVG 0.194831 MAX 0.21417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 479.279 LOAD: AVG 0.194831 MAX 0.21417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: TIME 479.279 LOAD: AVG 0.194831 MAX 0.21417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: ============== END OF LOAD BALANCING =============== 479.281 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 479.286 PRESSURE: 148400 -41.8949 70.3696 10.9017 70.3696 -75.1494 31.7609 10.902 31.76 271.753 GPRESSURE: 148400 -65.2067 73.6101 97.8734 -67.7259 73.7318 20.1374 27.1429 45.2779 232.549 PRESSAVG: 148400 -16.4786 5.68463 11.3888 5.68467 52.8926 44.5823 11.3888 44.5822 -22.1452 GPRESSAVG: 148400 -16.6032 7.66742 11.9506 5.10704 52.8996 44.2299 13.0671 45.0154 -21.8896 TIMING: 148400 CPU: 467.15, 0.00320251/step Wall: 467.15, 0.00320251/step, 4.31592 hours remaining, 234.476562 MB of memory in use. ENERGY: 148400 3985.4108 20506.6041 14523.5404 263.2065 -203264.9693 2471.6839 0.0000 0.0000 52001.6108 -109512.9128 298.8540 -161514.5236 -109149.1783 299.3464 51.5696 80.3580 761665.0124 4.7563 4.8023 PRESSURE: 148600 -303.66 -134.848 -77.1787 -134.848 145.124 8.5768 -77.1794 8.57669 -19.5184 GPRESSURE: 148600 -222.191 -72.8951 -69.0953 -213.703 130.65 -8.99962 -172.365 -68.9383 -19.7493 PRESSAVG: 148600 -45.0089 15.3932 3.74156 15.3932 7.36937 11.4293 3.74153 11.4294 -7.6683 GPRESSAVG: 148600 -45.2674 15.5279 2.12808 14.691 6.51493 12.3829 4.15436 11.7846 -6.68787 TIMING: 148600 CPU: 467.779, 0.00314363/step Wall: 467.779, 0.00314363/step, 4.23639 hours remaining, 234.476562 MB of memory in use. ENERGY: 148600 3911.7967 20668.0066 14522.3275 242.3996 -202930.4977 2155.8063 0.0000 0.0000 52103.8509 -109326.3101 299.4415 -161430.1610 -108962.7453 299.5053 -59.3514 -37.0968 762648.2150 -15.1026 -15.1468 PRESSURE: 148800 140.603 -103.141 93.4423 -103.142 7.58932 52.403 93.4422 52.403 -99.3947 GPRESSURE: 148800 186.879 -70.0052 5.59944 -70.3516 -70.3438 27.4769 -67.9979 22.782 -2.75618 PRESSAVG: 148800 -13.5734 -47.1361 10.4325 -47.1362 11.753 28.9475 10.4324 28.9475 5.62094 GPRESSAVG: 148800 -11.7498 -47.4972 9.77682 -45.0579 9.99803 29.2608 8.09413 30.5328 5.05846 TIMING: 148800 CPU: 468.409, 0.00314763/step Wall: 468.409, 0.00314763/step, 4.24161 hours remaining, 234.476562 MB of memory in use. ENERGY: 148800 3861.7372 20429.4627 14514.1872 266.3614 -203039.0624 2343.9233 0.0000 0.0000 52365.8247 -109257.5660 300.9471 -161623.3906 -108898.1015 299.6404 16.2658 37.9263 762145.8740 1.2668 1.1022 PRESSURE: 149000 -170.769 49.8422 -28.9957 49.8427 -123.13 113.165 -28.9949 113.165 -149.12 GPRESSURE: 149000 -163.418 -68.1819 -38.1541 79.9588 -47.0068 141.761 14.6126 -5.61119 -166.833 PRESSAVG: 149000 -25.6163 3.96584 -30.7848 3.96584 67.1209 -6.28984 -30.7848 -6.2899 -27.7001 GPRESSAVG: 149000 -27.6603 4.31065 -29.4013 3.03794 69.9418 -8.1869 -31.1469 -8.34653 -28.1685 TIMING: 149000 CPU: 469.041, 0.00316285/step Wall: 469.041, 0.00316285/step, 4.26194 hours remaining, 234.476562 MB of memory in use. ENERGY: 149000 3984.7850 20452.6506 14455.3101 236.2154 -203018.6215 2416.7792 0.0000 0.0000 52150.1502 -109322.7309 299.7076 -161472.8811 -108958.6444 299.7910 -147.6731 -125.7524 763171.9913 4.6015 4.7044 PRESSURE: 149200 -80.4498 37.5042 134.214 37.5042 -33.6327 -100.026 134.214 -100.024 -4.03824 GPRESSURE: 149200 52.0737 25.0128 174.331 67.6542 -59.5704 -166.174 226.622 44.1631 -45.7162 PRESSAVG: 149200 -11.5347 -29.1129 -11.4144 -29.113 18.5064 -14.6624 -11.4144 -14.6624 1.53349 GPRESSAVG: 149200 -9.85513 -28.7183 -10.9481 -30.6105 17.8041 -13.6851 -10.8098 -11.4594 0.651822 TIMING: 149200 CPU: 469.668, 0.00313518/step Wall: 469.668, 0.00313518/step, 4.22448 hours remaining, 234.476562 MB of memory in use. ENERGY: 149200 3972.8402 20461.8793 14447.8438 216.1614 -203074.8350 2481.2347 0.0000 0.0000 52228.6547 -109266.2209 300.1588 -161494.8756 -108888.4082 299.2964 -39.3736 -17.7376 761947.4942 2.8351 2.8669 PRESSURE: 149400 -177.409 71.1783 63.5493 71.178 87.4888 -105.136 63.5495 -105.135 -118.906 GPRESSURE: 149400 -103.612 -25.3807 6.34122 -73.5116 112.44 -208.456 25.7311 -104.639 -128.188 PRESSAVG: 149400 -8.28275 -28.278 5.19471 -28.278 34.2552 53.0249 5.19472 53.0249 -3.99767 GPRESSAVG: 149400 -10.3374 -29.0853 4.72173 -27.3061 34.1972 55.1971 5.84081 50.52 -2.07204 TIMING: 149400 CPU: 470.297, 0.00314189/step Wall: 470.297, 0.00314189/step, 4.23335 hours remaining, 234.476562 MB of memory in use. ENERGY: 149400 3969.5546 20504.9549 14585.2046 232.9161 -203165.6843 2630.5580 0.0000 0.0000 51955.4784 -109287.0176 298.5888 -161242.4960 -108920.5290 299.4068 -69.6089 -39.7866 763636.8436 7.3249 7.2626 PRESSURE: 149600 363.052 42.7181 7.27126 42.7175 619.286 77.8198 7.27125 77.8202 330.144 GPRESSURE: 149600 414.01 150.776 -20.7566 -26.7834 657.559 67.7135 104.217 25.006 322.561 PRESSAVG: 149600 -107.292 -31.0096 41.8366 -31.0096 64.2538 14.2415 41.8365 14.2416 13.1948 GPRESSAVG: 149600 -105.633 -31.325 42.0034 -29.6767 64.5146 12.051 41.8555 15.2235 11.3096 TIMING: 149600 CPU: 470.922, 0.00312795/step Wall: 470.922, 0.00312795/step, 4.21439 hours remaining, 234.476562 MB of memory in use. ENERGY: 149600 3957.6604 20477.7103 14503.4754 245.0283 -203678.3205 3024.3359 0.0000 0.0000 52058.2455 -109411.8646 299.1795 -161470.1102 -109051.1208 298.9600 437.4937 464.7099 762191.0469 -9.9478 -9.9362 PRESSURE: 149800 -392.34 79.3484 119.921 79.3477 -20.9406 40.8802 119.922 40.8798 -269.667 GPRESSURE: 149800 -288.063 -65.5335 95.7743 -35.1897 15.9792 12.4768 230.441 20.0933 -337.645 PRESSAVG: 149800 -6.01844 -16.6854 20.6968 -16.6854 3.26495 -46.3925 20.6968 -46.3925 1.67155 GPRESSAVG: 149800 -6.62421 -16.3901 21.0017 -16.4571 2.4908 -43.7935 20.5313 -46.8873 2.5731 TIMING: 149800 CPU: 471.55, 0.00313963/step Wall: 471.55, 0.00313963/step, 4.22996 hours remaining, 234.476562 MB of memory in use. ENERGY: 149800 4079.4928 20713.9777 14430.8603 282.9815 -203372.9732 2622.3498 0.0000 0.0000 51925.0312 -109318.2799 298.4139 -161243.3111 -108967.5399 299.2663 -227.6492 -203.2430 760678.0841 -0.3606 -0.5201 PRESSURE: 150000 190.801 -26.9924 270.198 -26.9915 357.994 -177.537 270.198 -177.537 152.973 GPRESSURE: 150000 239.875 -74.8035 315.954 10.1095 343.759 -141.148 150.618 -248.59 193.788 PRESSAVG: 150000 14.9198 -28.4666 61.5334 -28.4666 43.9275 22.3253 61.5333 22.3254 8.68984 GPRESSAVG: 150000 14.8891 -26.44 61.2576 -31.1071 43.5194 20.5084 61.4985 22.6685 9.36115 TIMING: 150000 CPU: 472.177, 0.00313324/step Wall: 472.177, 0.00313324/step, 4.22117 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: 150000 3961.7717 20454.6109 14433.0350 254.9035 -203037.2058 2562.8541 0.0000 0.0000 52151.9971 -109218.0337 299.7182 -161370.0308 -108844.7236 299.5872 233.9229 259.1408 761658.7934 22.5124 22.5899 PRESSURE: 150200 -219.374 -45.8549 48.4377 -45.8557 84.4766 -95.8828 48.4376 -95.882 -87.1336 GPRESSURE: 150200 -86.4063 43.9702 65.2299 -103.504 91.9103 -157.43 73.9836 -4.51394 -143.717 PRESSAVG: 150200 21.8959 -11.5481 7.68788 -11.5481 14.6096 4.50761 7.68789 4.50762 -9.57944 GPRESSAVG: 150200 23.6238 -12.6665 7.3267 -11.5959 13.7243 4.87152 7.60815 4.43761 -11.1574 TIMING: 150200 CPU: 472.807, 0.00315244/step Wall: 472.807, 0.00315244/step, 4.24686 hours remaining, 234.476562 MB of memory in use. ENERGY: 150200 3973.4394 20540.9307 14547.1368 240.1463 -203347.6200 2648.9343 0.0000 0.0000 52120.1608 -109276.8718 299.5353 -161397.0325 -108912.9409 299.2814 -74.0103 -46.0710 761326.4857 8.9754 8.7302 PRESSURE: 150400 -256.84 -71.8449 28.4903 -71.8448 86.3315 84.1856 28.4902 84.1861 -286.599 GPRESSURE: 150400 -166.742 -11.7574 53.2335 -91.4836 88.6839 17.6559 80.1677 46.3982 -296.018 PRESSAVG: 150400 21.7184 -5.74453 49.3114 -5.74452 6.28662 -4.52695 49.3115 -4.52695 24.3928 GPRESSAVG: 150400 19.3088 -5.89422 48.8158 -3.86313 7.56443 -4.31426 49.7821 -7.16593 25.15 TIMING: 150400 CPU: 473.433, 0.00313028/step Wall: 473.433, 0.00313028/step, 4.21684 hours remaining, 234.476562 MB of memory in use. ENERGY: 150400 4012.4953 20478.9472 14525.8700 249.1269 -203335.5081 2735.6726 0.0000 0.0000 51919.9710 -109413.4250 298.3848 -161333.3961 -109048.0226 299.0534 -152.3693 -124.6919 761434.5453 17.4660 17.3411 PRESSURE: 150600 221.408 49.7696 -398.226 49.7704 -147.362 222.397 -398.226 222.397 58.177 GPRESSURE: 150600 264.689 -58.9222 -330.278 -84.7164 -107.695 209.847 -236.26 129.27 74.8152 PRESSAVG: 150600 23.357 -9.83067 -11.3021 -9.83071 -16.7288 24.4454 -11.3021 24.4454 -14.2925 GPRESSAVG: 150600 24.5286 -9.13474 -10.2523 -11.4372 -16.96 24.4189 -9.81838 26.5967 -15.1736 TIMING: 150600 CPU: 474.061, 0.00313657/step Wall: 474.061, 0.00313657/step, 4.22514 hours remaining, 234.476562 MB of memory in use. ENERGY: 150600 3948.2644 20455.0255 14460.9431 254.6438 -203509.8068 2741.2114 0.0000 0.0000 52369.4618 -109280.2569 300.9680 -161649.7186 -108915.8244 299.3249 44.0745 77.2697 762687.2346 -2.5548 -2.5350 PRESSURE: 150800 13.2779 -165.707 76.5338 -165.706 124.385 -142.148 76.5346 -142.148 312.504 GPRESSURE: 150800 -7.07799 -41.2823 -29.3637 -139.475 202.784 -220.709 117.362 -200.69 342.591 PRESSAVG: 150800 -6.54537 -21.4982 32.5608 -21.4982 -24.8189 5.35606 32.5609 5.35608 4.75538 GPRESSAVG: 150800 -7.87465 -23.0173 33.2151 -20.5846 -23.8442 3.97133 31.2393 6.3058 5.51195 TIMING: 150800 CPU: 474.69, 0.00314781/step Wall: 474.69, 0.00314781/step, 4.24011 hours remaining, 234.476562 MB of memory in use. ENERGY: 150800 3935.8376 20672.9288 14543.8035 231.0492 -203185.9419 2633.8459 0.0000 0.0000 51838.3304 -109330.1466 297.9156 -161168.4770 -108976.5227 299.1271 150.0556 179.4321 763529.4407 -8.8696 -8.7356 PRESSURE: 151000 -300.351 166.513 222.718 166.513 -216.866 228.329 222.718 228.328 -118.981 GPRESSURE: 151000 -233.101 141.276 223.667 109.527 -157.978 193.453 -28.6755 317.74 -138.429 PRESSAVG: 151000 -27.4552 -13.7395 37.7112 -13.7394 19.4495 -13.8116 37.7112 -13.8117 -9.47299 GPRESSAVG: 151000 -25.7982 -14.3115 35.1383 -13.4624 18.6492 -11.3828 35.994 -14.2277 -10.363 TIMING: 151000 CPU: 475.315, 0.00312278/step Wall: 475.315, 0.00312278/step, 4.20621 hours remaining, 234.476562 MB of memory in use. ENERGY: 151000 3912.9625 20464.1291 14524.0789 243.9217 -203454.0327 2668.9461 0.0000 0.0000 52265.9307 -109374.0637 300.3730 -161639.9943 -108995.7542 299.2202 -212.0659 -176.5029 763129.4791 -5.8262 -5.8373 PRESSURE: 151200 -230.282 -109.008 176.306 -109.009 -172.745 -129.659 176.306 -129.659 -478.005 GPRESSURE: 151200 -245.43 -70.1088 179.294 -116.846 -81.5554 -105.555 228.45 -115.83 -464.013 PRESSAVG: 151200 6.59832 -19.2765 24.7706 -19.2766 -49.8151 35.0255 24.7706 35.0255 7.29264 GPRESSAVG: 151200 5.80485 -18.0764 29.0388 -19.9329 -49.4318 35.1859 26.0843 33.7281 7.15528 TIMING: 151200 CPU: 475.939, 0.00312288/step Wall: 475.939, 0.00312288/step, 4.20617 hours remaining, 234.476562 MB of memory in use. ENERGY: 151200 3988.8882 20483.6182 14543.9729 264.7981 -203398.1886 2754.8443 0.0000 0.0000 52006.8023 -109355.2646 298.8838 -161362.0669 -108990.5090 298.6237 -293.6775 -263.6660 763604.9894 -11.9747 -12.1572 PRESSURE: 151400 -235.7 108.351 -75.2634 108.351 93.7313 -44.8024 -75.2635 -44.8017 21.2578 GPRESSURE: 151400 -214.645 58.8729 13.6392 122.086 148.423 51.1587 -168.674 -3.45581 28.2091 PRESSAVG: 151400 -90.3901 -3.1606 -1.43789 -3.1606 84.8351 31.016 -1.43791 31.016 9.68503 GPRESSAVG: 151400 -90.9515 -3.74383 -3.16215 -1.31174 85.3309 30.5109 -2.07609 32.7857 9.79809 TIMING: 151400 CPU: 476.564, 0.0031214/step Wall: 476.564, 0.0031214/step, 4.20401 hours remaining, 234.476562 MB of memory in use. ENERGY: 151400 3992.7424 20497.1813 14437.7681 238.7522 -203054.6334 2658.4192 0.0000 0.0000 51829.4684 -109400.3018 297.8647 -161229.7702 -109051.0790 299.2507 -40.2371 -12.6710 762130.2437 1.3767 1.3925 PRESSURE: 151600 168.873 -39.4085 229.653 -39.409 -8.59948 -146.332 229.654 -146.332 65.1275 GPRESSURE: 151600 196.391 8.19579 172.497 -105.129 56.493 -81.682 94.9134 -169.997 60.5147 PRESSAVG: 151600 -73.3287 12.2827 6.6843 12.2827 47.2432 -8.01747 6.68426 -8.01758 6.01438 GPRESSAVG: 151600 -73.3351 11.8477 6.18234 10.6303 47.349 -7.86938 6.27897 -8.65719 6.33646 TIMING: 151600 CPU: 477.189, 0.0031256/step Wall: 477.189, 0.0031256/step, 4.20948 hours remaining, 234.476562 MB of memory in use. ENERGY: 151600 3992.2323 20596.7671 14494.1630 239.3107 -203607.1810 2923.4708 0.0000 0.0000 52145.6030 -109215.6342 299.6815 -161361.2372 -108849.3923 298.9232 75.1338 104.4663 762948.7210 -6.6904 -6.5499 PRESSURE: 151800 29.3296 95.5813 -224.014 95.5809 -210.252 14.9473 -224.014 14.9482 110.175 GPRESSURE: 151800 69.5412 28.1032 -183.818 65.1404 -238.117 63.5 -245.559 62.247 169.438 PRESSAVG: 151800 -16.1884 -47.437 -22.2131 -47.437 5.09435 26.0936 -22.2132 26.0935 -5.72302 GPRESSAVG: 151800 -16.5643 -44.2012 -21.6694 -48.7298 6.06741 24.163 -22.4226 27.9576 -5.93091 TIMING: 151800 CPU: 477.82, 0.00315782/step Wall: 477.82, 0.00315782/step, 4.2527 hours remaining, 234.476562 MB of memory in use. ENERGY: 151800 3962.6021 20606.8604 14518.6229 223.7911 -203195.5830 2450.8136 0.0000 0.0000 51923.4123 -109509.4805 298.4046 -161432.8928 -109141.3817 298.9064 -23.5824 0.2876 762439.8225 -5.6057 -5.4759 PRESSURE: 152000 -200.688 -207.62 95.8048 -207.62 469.855 41.855 95.804 41.8553 246.327 GPRESSURE: 152000 -81.8586 -256.694 120.413 -155.805 477.14 -58.8603 -9.68397 26.3324 206.364 PRESSAVG: 152000 -92.6915 -52.7074 -57.128 -52.7074 98.7631 9.50885 -57.128 9.50885 7.08527 GPRESSAVG: 152000 -90.7292 -52.8034 -57.5379 -51.1324 97.3624 10.8341 -54.8991 6.79215 6.3664 TIMING: 152000 CPU: 478.451, 0.00315298/step Wall: 478.451, 0.00315298/step, 4.24601 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: 152000 3963.5502 20416.9904 14539.0566 240.8938 -203937.0331 3021.5044 0.0000 0.0000 52129.6094 -109625.4282 299.5896 -161755.0377 -109268.1717 298.8223 171.8313 200.5485 761392.9714 4.3856 4.3332 PRESSURE: 152200 -320.436 -97.3073 -109.897 -97.308 0.9669 68.3835 -109.898 68.3832 18.6962 GPRESSURE: 152200 -285.574 -65.5395 -83.9791 -103.545 57.386 48.2408 -100.569 12.7196 10.8302 PRESSAVG: 152200 -29.9237 -57.5572 -5.19404 -57.5572 70.1753 6.49336 -5.19403 6.49331 0.770794 GPRESSAVG: 152200 -31.2035 -59.1487 -5.37081 -57.4082 71.4938 4.78382 -8.11263 6.68334 0.564273 TIMING: 152200 CPU: 479.078, 0.00313601/step Wall: 479.078, 0.00313601/step, 4.22299 hours remaining, 234.476562 MB of memory in use. ENERGY: 152200 3937.6359 20489.5414 14489.0829 253.0832 -203534.1186 2721.5899 0.0000 0.0000 52065.4056 -109577.7796 299.2206 -161643.1852 -109219.2612 298.9811 -100.2576 -72.4527 762574.7292 13.6741 13.6182 LDB: ============= START OF LOAD BALANCING ============== 491.528 LDB: ============== END OF LOAD BALANCING =============== 491.528 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 491.53 LDB: ============= START OF LOAD BALANCING ============== 491.85 LDB: Largest compute 7076 load 0.034875 is 17.9% of average load 0.194765 LDB: Average compute 0.004376 is 2.2% of average load 0.194765 LDB: TIME 491.854 LOAD: AVG 0.194765 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.5 MB LDB: TIME 491.854 LOAD: AVG 0.194765 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: TIME 491.854 LOAD: AVG 0.194765 MAX 0.210763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: ============== END OF LOAD BALANCING =============== 491.856 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 491.861 PRESSURE: 152400 -223.118 16.6731 31.0753 16.6724 -91.5595 27.9734 31.075 27.9744 -35.7375 GPRESSURE: 152400 -203.932 -46.9965 88.4555 38.4409 -34.1806 -55.9431 77.9044 -3.25598 -32.5252 PRESSAVG: 152400 -24.7312 -29.1254 -17.7495 -29.1254 48.8709 -12.3553 -17.7495 -12.3553 21.1679 GPRESSAVG: 152400 -24.6629 -32.3291 -16.9959 -27.7795 47.2139 -12.0332 -16.3443 -12.3224 22.8467 TIMING: 152400 CPU: 479.725, 0.00323514/step Wall: 479.725, 0.00323514/step, 4.3563 hours remaining, 235.757812 MB of memory in use. ENERGY: 152400 3998.2801 20492.8687 14523.2675 248.2752 -203370.5084 2891.1689 0.0000 0.0000 51959.9538 -109256.6943 298.6146 -161216.6481 -108897.5159 298.9241 -116.8050 -90.2128 762120.7662 15.1026 15.1326 PRESSURE: 152600 -286.247 163.746 -10.9789 163.745 319.274 211.389 -10.9788 211.388 -159.775 GPRESSURE: 152600 -143.038 154.817 -170.925 216.263 251.605 138.128 98.0812 270.672 -152.319 PRESSAVG: 152600 -23.1077 -52.2002 23.5145 -52.2002 52.5622 0.689711 23.5146 0.689827 -9.54293 GPRESSAVG: 152600 -21.4207 -50.7749 23.3092 -52.8899 51.6499 1.10879 25.1785 1.47185 -9.95029 TIMING: 152600 CPU: 480.36, 0.00317346/step Wall: 480.36, 0.00317346/step, 4.27307 hours remaining, 235.960938 MB of memory in use. ENERGY: 152600 4052.5116 20485.1760 14508.9966 244.3673 -203666.6924 2816.1620 0.0000 0.0000 52198.5658 -109360.9130 299.9859 -161559.4788 -108999.6111 299.2580 -42.2489 -14.5839 761341.5491 6.6372 6.7596 PRESSURE: 152800 -270.828 23.1774 320.852 23.1776 -16.5632 233.345 320.852 233.345 -83.6968 GPRESSURE: 152800 -216.89 30.6968 306.878 54.6453 1.55429 184.564 356.057 238.861 -60.9289 PRESSAVG: 152800 -40.0011 -57.2532 -7.18442 -57.2533 65.2054 64.0136 -7.18442 64.0137 2.85222 GPRESSAVG: 152800 -42.1919 -56.2984 -8.55535 -57.2424 66.5896 64.1362 -5.78424 61.968 3.39635 TIMING: 152800 CPU: 480.991, 0.00315701/step Wall: 480.991, 0.00315701/step, 4.25073 hours remaining, 235.960938 MB of memory in use. ENERGY: 152800 4050.9001 20569.0990 14541.9769 251.6243 -203519.1163 2705.0110 0.0000 0.0000 52033.4179 -109367.0873 299.0368 -161400.5051 -109011.2504 299.6512 -123.6960 -92.0884 761285.3818 9.3522 9.2647 PRESSURE: 153000 315.9 34.9819 -62.798 34.9822 225.549 -22.8087 -62.7982 -22.809 254.45 GPRESSURE: 153000 357.016 -7.72517 -20.1565 -13.9611 258.069 0.104084 -138.167 15.278 255.471 PRESSAVG: 153000 -70.1621 -15.9766 45.5511 -15.9766 56.8558 52.2441 45.5511 52.244 -15.6491 GPRESSAVG: 153000 -69.6765 -14.5337 47.0426 -16.1164 57.4262 52.1285 43.2317 52.7832 -16.1056 TIMING: 153000 CPU: 481.621, 0.00314836/step Wall: 481.621, 0.00314836/step, 4.23891 hours remaining, 235.960938 MB of memory in use. ENERGY: 153000 4018.8419 20541.3874 14478.4958 228.8550 -203255.8046 2703.9098 0.0000 0.0000 52042.1488 -109242.1658 299.0869 -161284.3147 -108876.6340 299.7730 265.2994 290.1854 761826.1494 -9.6518 -9.4520 PRESSURE: 153200 -231.309 -183.058 -5.63428 -183.058 -63.4759 -50.8998 -5.63503 -50.8997 -204.19 GPRESSURE: 153200 -284.327 -257.389 10.195 -309.621 -2.26038 25.434 105.374 -35.8839 -148.496 PRESSAVG: 153200 -81.7242 2.0696 -11.2283 2.06956 52.0818 -23.6375 -11.2283 -23.6376 29.3564 GPRESSAVG: 153200 -81.8559 -0.899639 -12.41 1.54814 51.6964 -23.1715 -12.1775 -23.2003 29.8328 TIMING: 153200 CPU: 482.252, 0.00315415/step Wall: 482.252, 0.00315415/step, 4.24654 hours remaining, 235.960938 MB of memory in use. ENERGY: 153200 4089.3228 20569.4940 14562.4009 252.5625 -202762.1849 2138.4356 0.0000 0.0000 51962.6497 -109187.3195 298.6301 -161149.9691 -108822.6544 299.5725 -166.3249 -145.0278 762895.9095 -0.0953 -0.1089 PRESSURE: 153400 -281.297 239.601 -191.062 239.601 -311.972 79.7022 -191.064 79.7032 -105.18 GPRESSURE: 153400 -339.611 171.144 -148.801 131.458 -234.147 172.883 -188.301 70.5204 -24.6503 PRESSAVG: 153400 -49.298 -14.5431 52.8616 -14.5432 62.5792 61.0951 52.8615 61.0952 -8.57884 GPRESSAVG: 153400 -49.0389 -13.4763 52.7459 -14.8225 62.2708 60.0333 53.4808 61.1181 -8.0631 TIMING: 153400 CPU: 482.882, 0.00315284/step Wall: 482.882, 0.00315284/step, 4.2446 hours remaining, 235.960938 MB of memory in use. ENERGY: 153400 3960.1625 20541.7679 14424.1858 255.3316 -203010.2267 2314.2168 0.0000 0.0000 52084.7931 -109429.7690 299.3320 -161514.5621 -109059.1349 299.2722 -232.8162 -199.4694 762733.3762 1.5674 1.7229 PRESSURE: 153600 -410.929 -25.4923 188.451 -25.4921 62.8466 -54.5073 188.451 -54.508 0.126828 GPRESSURE: 153600 -308.089 -9.11525 120.386 54.4873 116.509 -88.1256 110.065 54.9665 -70.4069 PRESSAVG: 153600 -34.6662 -11.7215 28.568 -11.7216 72.8478 22.2404 28.568 22.2404 19.9145 GPRESSAVG: 153600 -33.7603 -13.1331 28.4686 -11.2572 72.5877 23.1116 28.4056 22.518 19.3393 TIMING: 153600 CPU: 483.512, 0.00315079/step Wall: 483.512, 0.00315079/step, 4.24166 hours remaining, 235.960938 MB of memory in use. ENERGY: 153600 4083.5598 20523.6757 14495.1320 236.4649 -203437.1046 2596.2197 0.0000 0.0000 52210.6828 -109291.3697 300.0555 -161502.0525 -108933.8425 299.6620 -115.9853 -87.3291 760788.7409 19.3654 19.3889 PRESSURE: 153800 -83.0494 98.9909 -3.79826 98.9906 -124.013 0.957847 -3.79788 0.958284 -321.827 GPRESSURE: 153800 14.7157 44.8653 23.2061 -27.8062 -122.875 -37.1004 -34.4007 -101.332 -327.967 PRESSAVG: 153800 -18.2322 -35.2942 9.44199 -35.2942 29.8821 60.228 9.44203 60.228 14.6165 GPRESSAVG: 153800 -17.9107 -34.7262 9.04507 -35.5345 28.9531 59.3629 11.3679 59.5744 15.3328 TIMING: 153800 CPU: 484.138, 0.0031259/step Wall: 484.138, 0.0031259/step, 4.20799 hours remaining, 235.960938 MB of memory in use. ENERGY: 153800 4038.2627 20330.2830 14570.3368 240.0107 -203036.6964 2407.2897 0.0000 0.0000 52175.9755 -109274.5380 299.8560 -161450.5135 -108907.4805 299.4740 -176.2963 -145.3754 761013.4994 8.7555 8.7917 PRESSURE: 154000 -316.783 63.7538 12.0398 63.7535 -363.459 29.4033 12.0406 29.4039 -276.67 GPRESSURE: 154000 -377.947 51.7685 45.7787 -59.5854 -327.556 32.7638 26.2857 156.535 -173.265 PRESSAVG: 154000 11.0725 -13.0258 34.7885 -13.0258 -5.42553 3.1431 34.7885 3.14306 5.32749 GPRESSAVG: 154000 11.0289 -11.5494 35.3424 -13.9083 -5.05914 3.31878 34.6722 5.46205 5.34039 TIMING: 154000 CPU: 484.764, 0.00313003/step Wall: 484.764, 0.00313003/step, 4.21337 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 154000 4043.1105 20868.4864 14490.2554 240.3654 -203056.0584 2228.9149 0.0000 0.0000 52051.7898 -109133.1358 299.1424 -161184.9256 -108777.9540 300.0952 -318.9710 -292.9229 761455.4596 3.6582 3.7701 PRESSURE: 154200 36.591 -41.4135 162.295 -41.4141 158.182 -173.021 162.295 -173.02 -244.558 GPRESSURE: 154200 53.7166 -88.8862 156.748 -12.5737 243.823 -177.778 116.812 -126.261 -272.961 PRESSAVG: 154200 -11.3725 -0.832498 49.754 -0.832509 69.9605 -19.6848 49.754 -19.6847 -14.8278 GPRESSAVG: 154200 -12.1254 -1.81432 49.6388 -1.20317 72.2387 -21.319 48.7474 -19.8291 -16.4419 TIMING: 154200 CPU: 485.394, 0.00315331/step Wall: 485.394, 0.00315331/step, 4.24453 hours remaining, 235.960938 MB of memory in use. ENERGY: 154200 4044.2673 20546.8529 14508.0376 238.0935 -203498.8863 2852.1878 0.0000 0.0000 51985.0742 -109324.3730 298.7589 -161309.4472 -108973.4356 299.6565 -16.5949 8.1931 759994.7810 14.5867 14.5572 PRESSURE: 154400 -137.418 -297.644 -133.404 -297.644 441.727 -31.525 -133.404 -31.5257 5.34052 GPRESSURE: 154400 -70.0673 -252.541 -119.232 -201.15 390.523 8.12138 -68.7568 -166.96 75.8948 PRESSAVG: 154400 -59.4556 -34.3048 -11.8899 -34.3048 76.8038 -57.6399 -11.89 -57.6399 28.266 GPRESSAVG: 154400 -59.5506 -34.0352 -10.8648 -31.6521 76.1876 -55.0791 -13.9977 -60.5725 29.8056 TIMING: 154400 CPU: 486.022, 0.00313928/step Wall: 486.022, 0.00313928/step, 4.22547 hours remaining, 235.960938 MB of memory in use. ENERGY: 154400 3953.2657 20668.2853 14483.0025 224.4358 -203503.5734 2851.1920 0.0000 0.0000 51965.7717 -109357.6205 298.6480 -161323.3922 -108997.5998 299.1707 103.2165 132.1170 761156.8475 15.2048 15.4808 PRESSURE: 154600 -243.379 -7.21059 152.749 -7.21035 1.24247 128.139 152.75 128.137 -304.105 GPRESSURE: 154600 -321.373 20.1568 57.8649 -99.8402 168.024 178.509 177.728 53.5432 -300.411 PRESSAVG: 154600 -76.0569 -39.8115 26.1151 -39.8114 86.9422 -24.7629 26.1151 -24.7629 -13.3888 GPRESSAVG: 154600 -75.5477 -39.9948 24.7751 -41.507 87.2441 -25.2161 27.9592 -24.0101 -13.8423 TIMING: 154600 CPU: 486.649, 0.00313398/step Wall: 486.649, 0.00313398/step, 4.21816 hours remaining, 235.960938 MB of memory in use. ENERGY: 154600 3957.5634 20462.6497 14505.6165 260.5430 -203394.3266 2631.3436 0.0000 0.0000 52124.4220 -109452.1885 299.5598 -161576.6105 -109085.4281 298.4747 -182.0805 -151.2530 762242.6113 -0.8345 -0.7153 PRESSURE: 154800 -221.137 226.917 -134.954 226.917 -50.8599 4.19443 -134.953 4.19373 150.401 GPRESSURE: 154800 -183.715 189.436 -110.841 253.121 33.0348 -22.0152 -157.276 138.769 143.929 PRESSAVG: 154800 -33.6614 3.58934 11.107 3.58931 84.8461 -38.6935 11.107 -38.6934 -12.1807 GPRESSAVG: 154800 -33.7871 2.36544 11.7993 4.74706 83.8147 -39.6188 9.56291 -39.7647 -11.6737 TIMING: 154800 CPU: 487.279, 0.00314893/step Wall: 487.279, 0.00314893/step, 4.23811 hours remaining, 235.960938 MB of memory in use. ENERGY: 154800 3968.8735 20435.2921 14516.6154 239.0274 -203383.6464 2567.0103 0.0000 0.0000 52204.9156 -109451.9122 300.0224 -161656.8278 -109091.1539 298.9851 -40.5322 -2.2505 761171.3210 13.0013 12.7847 PRESSURE: 155000 109.489 -82.4314 -104.343 -82.4308 149.439 32.7304 -104.343 32.7307 -91.3793 GPRESSURE: 155000 198.936 -9.95202 0.218147 -182.068 174.785 68.6091 -123.268 -2.2151 -114.407 PRESSAVG: 155000 -56.6022 -22.0225 -19.157 -22.0225 73.2807 -38.7534 -19.157 -38.7533 11.7167 GPRESSAVG: 155000 -56.4458 -20.1411 -19.7158 -22.2015 72.96 -39.442 -18.4963 -37.2861 11.7692 TIMING: 155000 CPU: 487.909, 0.00314978/step Wall: 487.909, 0.00314978/step, 4.23908 hours remaining, 235.960938 MB of memory in use. ENERGY: 155000 3976.6724 20570.2006 14537.0006 230.9936 -203117.4489 2293.2207 0.0000 0.0000 52075.5065 -109433.8546 299.2787 -161509.3611 -109072.0499 299.0043 55.8496 86.4380 760697.2961 9.4651 9.4278 PRESSURE: 155200 61.6876 28.8747 -337.414 28.8747 50.0907 -21.9214 -337.414 -21.9216 93.9375 GPRESSURE: 155200 80.1676 57.4572 -324.856 94.2296 78.2769 -38.2556 -311.523 1.56336 140.941 PRESSAVG: 155200 -41.2946 -20.6742 -10.935 -20.6743 23.05 26.4494 -10.935 26.4494 -19.1458 GPRESSAVG: 155200 -41.3622 -20.7998 -10.1888 -21.0831 23.383 27.2804 -10.5991 24.6406 -19.2844 TIMING: 155200 CPU: 488.536, 0.00313924/step Wall: 488.536, 0.00313924/step, 4.22472 hours remaining, 235.960938 MB of memory in use. ENERGY: 155200 3963.1621 20531.7740 14583.4986 241.9729 -203197.2304 2516.7133 0.0000 0.0000 51969.1528 -109390.9568 298.6674 -161360.1095 -109030.8783 299.1317 68.5719 99.7952 761379.0674 -12.4635 -12.4212 PRESSURE: 155400 228.116 -98.2042 -38.141 -98.2047 -97.2469 -83.2978 -38.1414 -83.299 -391.905 GPRESSURE: 155400 259.479 -124.772 -44.8892 -196.804 -101.198 -8.55762 102.327 -138.145 -323.392 PRESSAVG: 155400 -64.8616 -50.9329 -11.337 -50.9329 21.734 -16.4753 -11.337 -16.4752 15.4847 GPRESSAVG: 155400 -65.6716 -53.1222 -11.124 -50.6013 21.608 -14.7055 -11.4439 -15.3626 17.0475 TIMING: 155400 CPU: 489.161, 0.00312204/step Wall: 489.161, 0.00312204/step, 4.2014 hours remaining, 235.960938 MB of memory in use. ENERGY: 155400 3918.6042 20573.1484 14530.0362 256.0620 -202609.4655 2170.4378 0.0000 0.0000 51595.3600 -109565.8170 296.5192 -161161.1769 -109213.5319 298.4386 -87.0117 -55.0368 763537.4089 -9.2143 -9.0054 PRESSURE: 155600 -21.88 60.5513 124.323 60.5522 -87.5561 24.2343 124.323 24.2344 -39.725 GPRESSURE: 155600 -15.0731 -0.378985 118.022 143.14 -39.0992 62.7357 61.8927 263.574 -22.2625 PRESSAVG: 155600 -65.4137 2.97349 -20.4321 2.97349 68.2168 21.6193 -20.4322 21.6193 -32.0407 GPRESSAVG: 155600 -65.1048 5.11922 -21.2375 2.68564 68.8468 21.4042 -20.4874 22.569 -33.1371 TIMING: 155600 CPU: 489.792, 0.00315475/step Wall: 489.792, 0.00315475/step, 4.24524 hours remaining, 235.960938 MB of memory in use. ENERGY: 155600 3892.0815 20465.6758 14528.4076 267.7690 -202901.7855 2527.8723 0.0000 0.0000 51818.6193 -109401.3600 297.8023 -161219.9793 -109052.8840 298.7718 -49.7204 -25.4783 762758.1839 -9.7458 -9.7984 PRESSURE: 155800 -39.6436 -191.42 -86.5961 -191.42 313.341 -328.167 -86.596 -328.168 -113.543 GPRESSURE: 155800 -5.48355 -155.162 -95.4799 -145.408 304.511 -244.426 -89.2373 -284.874 -70.0473 PRESSAVG: 155800 -63.6732 20.5845 38.5222 20.5845 59.9071 -23.6947 38.5222 -23.6947 -7.67908 GPRESSAVG: 155800 -64.0629 21.2544 38.4477 19.3737 60.9483 -24.6875 38.7836 -24.8617 -8.84642 TIMING: 155800 CPU: 490.422, 0.00314875/step Wall: 490.422, 0.00314875/step, 4.237 hours remaining, 235.960938 MB of memory in use. ENERGY: 155800 3967.7737 20515.3112 14533.6769 241.5071 -203220.6336 2615.8287 0.0000 0.0000 51919.9541 -109426.5819 298.3847 -161346.5360 -109068.5356 298.8191 53.3846 76.3266 761774.1644 -3.8151 -3.9870 PRESSURE: 156000 158.541 -121.67 52.4094 -121.67 392.38 26.6777 52.4101 26.678 239.354 GPRESSURE: 156000 166.146 -158.38 50.7443 -60.6689 429.71 45.6588 212.879 39.8257 272.983 PRESSAVG: 156000 -33.0113 -21.0546 77.5778 -21.0546 48.9465 -40.2019 77.5779 -40.2018 -5.26581 GPRESSAVG: 156000 -32.4296 -23.0743 77.6918 -18.8856 48.008 -40.9173 77.2789 -41.0598 -4.43569 TIMING: 156000 CPU: 491.048, 0.00313456/step Wall: 491.048, 0.00313456/step, 4.21772 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 156000 4036.4297 20431.3619 14494.9048 249.5236 -203826.6216 2957.5658 0.0000 0.0000 52189.2670 -109467.5688 299.9324 -161656.8358 -109108.6788 299.1629 263.4250 289.6131 760621.1904 3.5565 3.7142 PRESSURE: 156200 -12.3309 11.136 11.8599 11.1365 -103.037 -29.5157 11.8606 -29.516 368.472 GPRESSURE: 156200 -2.23053 39.3723 10.8758 74.3841 9.9838 -36.8201 14.0399 -69.6725 337.062 PRESSAVG: 156200 -18.4376 -50.0511 16.6884 -50.0511 -33.3558 38.0802 16.6884 38.0802 14.3257 GPRESSAVG: 156200 -17.8644 -47.7096 17.0531 -49.9408 -32.1317 39.4145 18.2299 40.2385 12.1012 TIMING: 156200 CPU: 491.673, 0.00312129/step Wall: 491.673, 0.00312129/step, 4.19969 hours remaining, 235.960938 MB of memory in use. ENERGY: 156200 3908.9942 20457.1700 14479.5242 241.4535 -203256.8020 2667.0051 0.0000 0.0000 51956.9045 -109545.7505 298.5970 -161502.6550 -109169.2712 298.8571 84.3681 114.9386 762072.5077 -12.4892 -12.6316 LDB: ============= START OF LOAD BALANCING ============== 504.121 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 504.121 LDB: =============== DONE WITH MIGRATION ================ 504.123 LDB: ============= START OF LOAD BALANCING ============== 504.435 LDB: Largest compute 7026 load 0.035550 is 18.3% of average load 0.194726 LDB: Average compute 0.004380 is 2.2% of average load 0.194726 LDB: TIME 504.438 LOAD: AVG 0.194726 MAX 0.213741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.598 MB LDB: TIME 504.439 LOAD: AVG 0.194726 MAX 0.213741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.668 MB LDB: TIME 504.439 LOAD: AVG 0.194726 MAX 0.213741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.668 MB LDB: ============== END OF LOAD BALANCING =============== 504.441 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 504.446 PRESSURE: 156400 -262.873 -70.6865 -0.103134 -70.6869 41.4427 134.392 -0.10282 134.392 -66.1166 GPRESSURE: 156400 -268.699 -143.257 -87.1639 46.1366 104.109 126.084 81.539 122.873 -37.8242 PRESSAVG: 156400 18.3641 -18.3234 21.2513 -18.3234 -10.3727 34.275 21.2513 34.275 -9.32472 GPRESSAVG: 156400 17.3398 -21.4027 19.7719 -17.5111 -11.5152 34.6266 19.9137 32.9386 -6.75469 TIMING: 156400 CPU: 492.31, 0.00318587/step Wall: 492.31, 0.00318587/step, 4.28641 hours remaining, 236.070312 MB of memory in use. ENERGY: 156400 3961.3874 20380.6242 14525.0358 264.6810 -203354.9043 2488.3584 0.0000 0.0000 52331.5391 -109403.2784 300.7501 -161734.8175 -109039.5297 298.7255 -95.8489 -67.4716 762099.5603 -0.4444 -0.3100 PRESSURE: 156600 -109.811 147.938 107.387 147.937 -124.887 -155.159 107.385 -155.159 73.6902 GPRESSURE: 156600 -38.4818 151.208 75.907 173.464 -115.726 -181.948 -77.4473 -150.131 77.6368 PRESSAVG: 156600 -51.6364 -44.5621 -43.3868 -44.5621 5.31057 5.91621 -43.3868 5.91619 13.433 GPRESSAVG: 156600 -49.7691 -42.659 -43.3645 -47.0782 4.1366 5.88753 -41.9974 7.2757 12.9163 TIMING: 156600 CPU: 492.934, 0.00312242/step Wall: 492.934, 0.00312242/step, 4.20087 hours remaining, 236.273438 MB of memory in use. ENERGY: 156600 3976.8613 20527.6381 14474.7583 271.2935 -203102.9623 2422.5352 0.0000 0.0000 51863.6622 -109566.2137 298.0612 -161429.8759 -109203.4940 299.0124 -53.6693 -25.5238 761425.9404 -10.9643 -10.9054 PRESSURE: 156800 -42.3112 -53.7463 36.6032 -53.7462 -69.04 57.6851 36.6037 57.6852 -101.285 GPRESSURE: 156800 20.1967 -90.8075 17.0629 -82.1829 13.7715 90.8064 30.9402 151.168 -160.173 PRESSAVG: 156800 -23.0109 0.238328 -84.366 0.238368 24.3659 6.59926 -84.366 6.59924 1.15925 GPRESSAVG: 156800 -23.078 -0.0732322 -83.5002 0.618534 25.3018 6.36705 -87.0252 7.33609 0.343611 TIMING: 156800 CPU: 493.559, 0.00312406/step Wall: 493.559, 0.00312406/step, 4.2029 hours remaining, 236.273438 MB of memory in use. ENERGY: 156800 4016.9627 20508.5486 14450.5110 273.8199 -203366.4481 2562.0648 0.0000 0.0000 52095.9260 -109458.6151 299.3960 -161554.5411 -109094.3594 299.0547 -70.8788 -42.0682 759910.2854 0.8381 0.8558 PRESSURE: 157000 32.7841 -99.0656 32.7925 -99.0658 181.112 20.6535 32.7929 20.6527 72.4045 GPRESSURE: 157000 42.6391 -12.041 31.8855 25.9777 305.56 -19.7865 111.817 -18.9034 35.084 PRESSAVG: 157000 -33.2251 2.55247 24.2807 2.5525 -30.8225 -82.7621 24.2806 -82.7621 -7.17185 GPRESSAVG: 157000 -34.2458 2.23427 25.0125 4.97829 -30.6023 -82.8413 23.3257 -83.7967 -6.40595 TIMING: 157000 CPU: 494.186, 0.00313364/step Wall: 494.186, 0.00313364/step, 4.21562 hours remaining, 236.273438 MB of memory in use. ENERGY: 157000 3952.5123 20412.5575 14511.2735 253.4349 -203510.0316 2802.7203 0.0000 0.0000 52189.1453 -109388.3878 299.9317 -161577.5331 -109025.1974 299.4835 95.4336 127.7609 760643.6363 -23.7398 -23.7514 PRESSURE: 157200 -216.901 184.909 220.348 184.909 -244.045 260.862 220.346 260.862 -355.747 GPRESSURE: 157200 -114.261 121.376 257.579 145.076 -244.462 287.333 172.849 191.788 -377.324 PRESSAVG: 157200 -10.5182 8.90856 27.3114 8.90857 40.9133 6.87731 27.3115 6.87737 8.00381 GPRESSAVG: 157200 -10.4634 9.1648 26.8807 7.79839 40.7498 5.27981 28.9069 6.34837 7.97448 TIMING: 157200 CPU: 494.817, 0.00315351/step Wall: 494.817, 0.00315351/step, 4.24217 hours remaining, 236.273438 MB of memory in use. ENERGY: 157200 4031.2660 20441.3200 14464.7519 221.2475 -203261.5320 2389.1167 0.0000 0.0000 52237.5256 -109476.3042 300.2098 -161713.8299 -109108.5924 299.6550 -272.2310 -245.3491 762180.4788 12.7996 12.7536 PRESSURE: 157400 -185.732 146.208 228.216 146.208 86.6805 -106.144 228.217 -106.144 -394.17 GPRESSURE: 157400 -179.24 106.388 191.424 130.846 91.652 -97.2064 125.636 -18.4894 -325.949 PRESSAVG: 157400 -40.5914 -2.93663 -1.59011 -2.93663 2.86006 45.537 -1.59017 45.537 -33.4289 GPRESSAVG: 157400 -40.452 -4.73186 -2.64789 -2.45219 2.27577 47.0355 -1.88798 47.0029 -32.771 TIMING: 157400 CPU: 495.445, 0.00314194/step Wall: 495.445, 0.00314194/step, 4.22643 hours remaining, 236.273438 MB of memory in use. ENERGY: 157400 4065.4349 20320.3820 14498.2059 237.4013 -203500.9407 2738.5945 0.0000 0.0000 51944.4713 -109696.4507 298.5256 -161640.9220 -109337.6834 299.1437 -164.4072 -137.8458 760925.3610 -23.7201 -23.6491 PRESSURE: 157600 -484.186 -55.8692 -99.5114 -55.8684 -418.382 -116.392 -99.5107 -116.394 311.842 GPRESSURE: 157600 -364.494 0.815264 -111.364 -12.665 -425.997 -93.9942 -124.892 -126.551 291.703 PRESSAVG: 157600 36.9886 23.5358 -27.3371 23.5359 -13.9347 -21.5112 -27.3371 -21.5112 23.9067 GPRESSAVG: 157600 36.7463 23.7615 -26.0137 21.1477 -13.4307 -20.8502 -27.7755 -23.2033 23.1246 TIMING: 157600 CPU: 496.071, 0.00313142/step Wall: 496.071, 0.00313142/step, 4.21211 hours remaining, 236.273438 MB of memory in use. ENERGY: 157600 3979.2020 20369.4995 14533.7483 245.3313 -203014.4214 2260.4752 0.0000 0.0000 52049.7893 -109576.3758 299.1309 -161626.1651 -109207.1566 298.9416 -196.9083 -166.2625 759768.4882 15.6535 15.4800 PRESSURE: 157800 345.857 -113.119 108.096 -113.119 12.5681 -13.41 108.095 -13.4096 -202.302 GPRESSURE: 157800 420.881 -49.4335 159.683 -144.433 54.9857 -55.7433 -87.5359 -49.6812 -230.382 PRESSAVG: 157800 -47.0005 -16.7715 3.61115 -16.7715 66.5338 -55.0884 3.61114 -55.0884 2.49903 GPRESSAVG: 157800 -46.2365 -14.7793 3.30583 -15.2875 65.8473 -55.8987 1.92577 -54.3733 2.70997 TIMING: 157800 CPU: 496.7, 0.00314561/step Wall: 496.7, 0.00314561/step, 4.23102 hours remaining, 236.273438 MB of memory in use. ENERGY: 157800 4008.4039 20462.6604 14498.5297 244.3569 -203599.1119 2630.7390 0.0000 0.0000 52390.8838 -109363.5384 301.0911 -161754.4222 -108997.1946 298.9872 52.0413 81.8282 760136.7020 7.3441 7.4403 PRESSURE: 158000 225.926 4.88938 -178.032 4.8891 123.127 14.3786 -178.031 14.3782 -19.5683 GPRESSURE: 158000 219.882 -24.1746 -151.668 -70.4214 171.395 42.8667 19.5277 -40.1431 17.423 PRESSAVG: 158000 -3.34361 -13.0848 8.30995 -13.0849 13.5311 -9.36462 8.30989 -9.36465 -2.93034 GPRESSAVG: 158000 -3.44114 -15.2602 9.75094 -14.1933 13.3602 -8.03572 9.67047 -10.264 -2.62506 TIMING: 158000 CPU: 497.328, 0.00313915/step Wall: 497.328, 0.00313915/step, 4.22216 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: 158000 3985.6711 20451.1590 14418.1056 265.4465 -203897.2230 2966.4500 0.0000 0.0000 52156.6668 -109653.7240 299.7451 -161810.3909 -109290.1608 298.8128 109.8282 136.2334 761248.8761 2.4190 2.4313 PRESSURE: 158200 -122.254 65.7808 81.8699 65.7808 141.442 75.4349 81.8698 75.4353 -330.782 GPRESSURE: 158200 -121.608 24.444 49.6823 161.208 138.362 69.7006 143.459 27.1341 -241.65 PRESSAVG: 158200 -56.0162 28.533 35.6146 28.533 70.9909 -17.7215 35.6146 -17.7215 -4.82544 GPRESSAVG: 158200 -56.6977 29.736 34.5481 29.5941 71.8338 -18.6409 36.7264 -17.052 -5.0395 TIMING: 158200 CPU: 497.956, 0.00313811/step Wall: 497.956, 0.00313811/step, 4.22058 hours remaining, 236.273438 MB of memory in use. ENERGY: 158200 4010.2795 20491.1775 14394.3228 238.0748 -203608.6464 2883.5269 0.0000 0.0000 52029.8688 -109561.3962 299.0164 -161591.2650 -109190.0114 298.8134 -103.8648 -74.9653 759970.3095 3.3831 3.3656 PRESSURE: 158400 -86.53 77.0349 43.3983 77.0342 34.7898 -72.458 43.3975 -72.4586 -83.3416 GPRESSURE: 158400 -20.5818 101.05 41.6372 133.834 67.7718 -54.4538 -17.9447 -152.817 -85.456 PRESSAVG: 158400 -28.8837 11.434 31.2581 11.434 -2.05635 53.3888 31.258 53.3887 0.718798 GPRESSAVG: 158400 -27.2866 10.5402 30.508 11.4253 -2.96452 54.36 29.6538 53.7166 0.00134198 TIMING: 158400 CPU: 498.584, 0.00314304/step Wall: 498.584, 0.00314304/step, 4.22704 hours remaining, 236.273438 MB of memory in use. ENERGY: 158400 3958.8539 20375.4600 14433.5152 248.0548 -203223.6500 2642.6163 0.0000 0.0000 51794.8969 -109770.2530 297.6660 -161565.1499 -109418.8956 298.7726 -45.0273 -12.7554 762334.0765 -10.0738 -10.0832 PRESSURE: 158600 -352.352 274.557 105.447 274.556 60.1142 144.997 105.448 144.996 -45.0541 GPRESSURE: 158600 -341.782 187.674 165.379 291.891 124.035 207.821 86.3081 87.8547 -24.8001 PRESSAVG: 158600 19.6016 49.8737 28.0188 49.8737 24.8968 13.9311 28.0188 13.9311 4.38722 GPRESSAVG: 158600 18.5014 51.2195 29.5594 48.6336 25.8268 11.7869 28.4414 13.6865 4.27386 TIMING: 158600 CPU: 499.211, 0.00313303/step Wall: 499.211, 0.00313303/step, 4.2134 hours remaining, 236.273438 MB of memory in use. ENERGY: 158600 4006.1403 20356.5552 14451.8897 227.5043 -203317.8497 2586.0427 0.0000 0.0000 52039.4924 -109650.2251 299.0717 -161689.7175 -109294.3681 298.4490 -112.4306 -80.8490 762647.4950 16.2952 16.2007 PRESSURE: 158800 -111.066 -82.1271 -26.3532 -82.1272 -31.6775 -152.575 -26.3529 -152.575 348.759 GPRESSURE: 158800 -13.5165 -62.5299 76.652 -41.3193 46.5086 -151.127 -46.1479 -254.562 266.006 PRESSAVG: 158800 -43.5134 6.14984 46.9643 6.14993 49.5653 2.82704 46.9642 2.8271 -1.85408 GPRESSAVG: 158800 -43.243 3.74428 47.1922 7.20154 48.9818 2.99881 45.8953 3.99606 -2.28267 TIMING: 158800 CPU: 499.837, 0.00313126/step Wall: 499.837, 0.00313126/step, 4.21085 hours remaining, 236.273438 MB of memory in use. ENERGY: 158800 4013.3170 20458.9365 14368.0489 245.4516 -203395.9241 2591.4946 0.0000 0.0000 51973.9256 -109744.7498 298.6949 -161718.6754 -109387.7225 298.9881 68.6719 99.6660 761927.7198 1.3993 1.1521 PRESSURE: 159000 285.672 -193.367 -31.9476 -193.367 188.623 50.7092 -31.9477 50.7088 -203.709 GPRESSURE: 159000 331.616 -155.178 -122.505 -148.784 133.033 6.20131 0.143539 -170.003 -97.0817 PRESSAVG: 159000 -0.815447 -12.4224 4.90596 -12.4224 2.28213 -1.1871 4.90594 -1.18711 -2.13598 GPRESSAVG: 159000 -2.06258 -12.3643 3.90224 -12.6238 2.13213 -2.07561 5.03802 -2.54862 0.221163 TIMING: 159000 CPU: 500.469, 0.00315703/step Wall: 500.469, 0.00315703/step, 4.24532 hours remaining, 236.273438 MB of memory in use. ENERGY: 159000 4019.0197 20514.3142 14409.6641 238.1688 -203249.8367 2258.5822 0.0000 0.0000 51883.4617 -109926.6261 298.1750 -161810.0877 -109557.0730 298.2045 90.1953 122.5225 761385.9797 -0.2231 0.0969 PRESSURE: 159200 -64.3742 386.237 -63.3894 386.237 -169.181 113.022 -63.3891 113.024 85.1114 GPRESSURE: 159200 -34.9017 375.736 -162.544 308.308 -75.9097 56.2937 -80.7767 61.8755 32.2105 PRESSAVG: 159200 31.2391 -30.6356 -15.8188 -30.6356 -20.8586 13.151 -15.8187 13.151 -4.5366 GPRESSAVG: 159200 32.8667 -28.8444 -15.6774 -30.0608 -21.187 14.195 -14.6631 13.3632 -6.31183 TIMING: 159200 CPU: 501.099, 0.00315004/step Wall: 501.099, 0.00315004/step, 4.23575 hours remaining, 236.273438 MB of memory in use. ENERGY: 159200 4044.7120 20503.3126 14457.6239 253.5553 -203512.3298 2463.4763 0.0000 0.0000 52061.8074 -109727.8424 299.1999 -161789.6498 -109367.5469 298.3590 -49.4812 -26.2003 760226.6283 1.9480 1.7893 PRESSURE: 159400 -334.559 -58.4006 -1.97905 -58.4003 -285.138 -34.1743 -1.98013 -34.174 -63.1718 GPRESSURE: 159400 -396.285 -53.2718 -31.1321 46.9222 -239.845 -10.7035 -18.991 115.373 24.5247 PRESSAVG: 159400 27.0488 47.996 0.0498732 47.9959 -23.1303 -33.4549 0.0497708 -33.4549 -28.5684 GPRESSAVG: 159400 26.743 49.0479 0.0139205 47.6276 -22.9279 -33.4653 -0.574922 -32.3748 -28.2479 TIMING: 159400 CPU: 501.727, 0.00314252/step Wall: 501.727, 0.00314252/step, 4.22546 hours remaining, 236.273438 MB of memory in use. ENERGY: 159400 3979.5716 20556.2058 14437.6020 258.5334 -203436.0537 2510.9634 0.0000 0.0000 52066.8963 -109626.2813 299.2292 -161693.1775 -109256.6486 299.0203 -227.6227 -203.8685 761075.7469 -8.2166 -8.1443 PRESSURE: 159600 -180.102 -29.4854 127.451 -29.4847 -121.87 -95.2108 127.45 -95.2104 -487.756 GPRESSURE: 159600 -187.551 -118.087 91.1319 43.0348 -123.959 -40.0976 184.579 -52.7651 -397.972 PRESSAVG: 159600 29.6039 9.87885 11.911 9.87888 -36.9891 59.733 11.9109 59.7329 20.1316 GPRESSAVG: 159600 30.3364 7.25227 11.2706 10.6855 -37.1108 60.4061 11.3932 60.285 19.7906 TIMING: 159600 CPU: 502.352, 0.00312577/step Wall: 502.352, 0.00312577/step, 4.20277 hours remaining, 236.273438 MB of memory in use. ENERGY: 159600 3997.9000 20704.2684 14505.2016 256.3188 -203277.4903 2465.4768 0.0000 0.0000 51590.5586 -109757.7661 296.4916 -161348.3247 -109411.1135 299.0575 -263.2425 -236.4941 761868.4064 4.2488 4.3387 PRESSURE: 159800 32.3842 118.292 -122.316 118.292 -183.179 196.559 -122.316 196.558 106.682 GPRESSURE: 159800 158.221 196.223 -79.0785 175.119 -153.777 182.321 -209.55 123.214 64.8755 PRESSAVG: 159800 -22.4089 12.5511 -24.9636 12.5511 -16.4344 -10.701 -24.9636 -10.7011 -4.94899 GPRESSAVG: 159800 -23.4562 14.8696 -24.1707 10.6231 -15.2491 -10.9036 -23.2761 -11.4921 -5.1396 TIMING: 159800 CPU: 502.978, 0.00312702/step Wall: 502.978, 0.00312702/step, 4.20428 hours remaining, 236.273438 MB of memory in use. ENERGY: 159800 3970.6381 20513.0422 14419.1368 241.1186 -203911.3090 2863.3727 0.0000 0.0000 51804.8881 -110099.1124 297.7234 -161904.0005 -109740.9450 297.9452 -14.7044 23.1064 759038.3732 -14.5974 -14.6149 PRESSURE: 160000 -185.716 30.8685 73.5952 30.8685 -237.453 -67.9279 73.5962 -67.9267 -185.591 GPRESSURE: 160000 -152.236 -1.33911 40.4302 -49.6323 -207.822 -48.5116 68.1702 -142.901 -154.681 PRESSAVG: 160000 46.1895 26.0091 -11.1689 26.0092 -21.5023 -25.8632 -11.1689 -25.8632 16.1032 GPRESSAVG: 160000 47.1382 23.8046 -12.2484 27.8932 -22.5097 -25.1651 -10.0416 -27.162 16.2593 TIMING: 160000 CPU: 503.603, 0.00312701/step Wall: 503.603, 0.00312701/step, 4.20409 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: 160000 4017.8862 20517.9682 14448.8532 240.5864 -203304.2804 2464.7429 0.0000 0.0000 51643.4378 -109970.8058 296.7955 -161614.2435 -109605.6314 297.8145 -202.9203 -171.5798 762011.6966 13.5968 13.6293 PRESSURE: 160200 -60.5328 -153.867 126.661 -153.867 184.887 62.2619 126.661 62.2632 206.746 GPRESSURE: 160200 12.595 -179.996 72.1798 -119.351 279.722 90.4338 95.6308 -176.331 125.826 PRESSAVG: 160200 -39.1276 -19.1165 -11.1714 -19.1165 34.4093 -20.3633 -11.1714 -20.3633 25.4483 GPRESSAVG: 160200 -39.3469 -16.4974 -11.7767 -21.2301 34.544 -21.1868 -12.2733 -20.5218 25.4677 TIMING: 160200 CPU: 504.23, 0.00313252/step Wall: 504.23, 0.00313252/step, 4.21133 hours remaining, 236.273438 MB of memory in use. ENERGY: 160200 3975.8099 20421.1879 14465.2078 260.3380 -203601.3442 2619.5741 0.0000 0.0000 51911.1990 -109948.0274 298.3344 -161859.2264 -109576.4805 297.8470 110.3668 139.3810 761129.0985 6.9100 6.8882 LDB: ============= START OF LOAD BALANCING ============== 516.68 LDB: ============== END OF LOAD BALANCING =============== 516.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 516.682 LDB: ============= START OF LOAD BALANCING ============== 516.995 LDB: Largest compute 7076 load 0.035827 is 18.4% of average load 0.194804 LDB: Average compute 0.004378 is 2.2% of average load 0.194804 LDB: TIME 516.999 LOAD: AVG 0.194804 MAX 0.212758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.078 MB LDB: TIME 516.999 LOAD: AVG 0.194804 MAX 0.212758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 516.999 LOAD: AVG 0.194804 MAX 0.212758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 517.002 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 517.006 PRESSURE: 160400 -391.344 -7.05209 -15.4868 -7.05155 -174.669 -22.9004 -15.4872 -22.9011 -136.335 GPRESSURE: 160400 -285.425 29.8756 14.9491 62.3445 -176.044 -40.6773 -18.4716 -62.0786 -164.387 PRESSAVG: 160400 -27.126 12.5586 -18.8368 12.5586 61.412 -13.5024 -18.8367 -13.5025 -12.7538 GPRESSAVG: 160400 -27.0748 12.1697 -17.0048 15.0079 61.4993 -13.6246 -21.3716 -12.0605 -13.3111 TIMING: 160400 CPU: 504.871, 0.00320469/step Wall: 504.871, 0.00320469/step, 4.30817 hours remaining, 236.527344 MB of memory in use. ENERGY: 160400 3972.2860 20539.5158 14386.6616 240.8132 -203397.2243 2462.6866 0.0000 0.0000 51853.2698 -109941.9911 298.0015 -161795.2610 -109584.1620 298.0272 -234.1162 -208.6187 761475.6831 7.1774 7.0378 PRESSURE: 160600 -82.6749 200.324 -184.047 200.325 13.0377 126.57 -184.046 126.571 1.24923 GPRESSURE: 160600 15.9474 147.202 -64.0596 138.399 -66.4528 62.8005 -215.376 129.359 71.3707 PRESSAVG: 160600 42.876 -22.6756 -21.3272 -22.6756 -39.4353 32.4706 -21.3272 32.4706 0.633444 GPRESSAVG: 160600 43.1897 -24.8264 -21.4822 -23.3288 -41.0122 34.8409 -20.3713 31.3213 1.73544 TIMING: 160600 CPU: 505.498, 0.00313664/step Wall: 505.498, 0.00313664/step, 4.21652 hours remaining, 236.527344 MB of memory in use. ENERGY: 160600 3978.5488 20459.3830 14401.2418 259.2235 -203003.2642 2180.5960 0.0000 0.0000 51923.2489 -109801.0222 298.4036 -161724.2711 -109441.7494 297.7323 -22.7960 6.9551 760208.4635 1.3580 1.3043 PRESSURE: 160800 42.4129 7.64261 -100.997 7.64194 182.343 66.8797 -100.998 66.8785 -76.3208 GPRESSURE: 160800 66.6363 71.0933 -183.409 116.895 225.078 86.0196 47.1072 40.2421 -56.1992 PRESSAVG: 160800 -0.175647 -23.4548 -4.46049 -23.4549 4.67363 0.564443 -4.46049 0.564423 16.5102 GPRESSAVG: 160800 -1.24818 -22.3869 -4.92655 -22.1373 5.16229 -0.52275 -3.04659 1.62583 16.2134 TIMING: 160800 CPU: 506.126, 0.00314022/step Wall: 506.126, 0.00314022/step, 4.22115 hours remaining, 236.527344 MB of memory in use. ENERGY: 160800 4045.8494 20389.8681 14378.4087 248.6678 -203342.1969 2700.7701 0.0000 0.0000 52008.7401 -109569.8927 298.8949 -161578.6328 -109211.8085 298.0839 49.4784 78.5051 761425.0913 7.0027 6.7092 PRESSURE: 161000 32.0289 -213.496 62.8256 -213.496 179.779 -34.9107 62.8257 -34.9109 251.366 GPRESSURE: 161000 184.333 -192.147 66.9873 -161.334 183.868 -79.1931 159.154 -15.6383 172.339 PRESSAVG: 161000 -49.0352 -10.6546 12.4776 -10.6546 -17.2732 6.3305 12.4776 6.33058 0.389157 GPRESSAVG: 161000 -47.7172 -9.2735 12.1754 -12.2657 -17.3387 4.51913 13.6997 6.00334 -0.820908 TIMING: 161000 CPU: 506.754, 0.00314063/step Wall: 506.754, 0.00314063/step, 4.22153 hours remaining, 236.527344 MB of memory in use. ENERGY: 161000 3960.8700 20424.9363 14435.0761 263.1069 -203430.8125 2702.5050 0.0000 0.0000 51881.7787 -109762.5394 298.1653 -161644.3182 -109400.8849 298.5851 154.3913 180.1803 759825.0723 -21.9731 -21.9590 PRESSURE: 161200 169.362 69.4593 203.715 69.46 -75.9972 -307.709 203.716 -307.708 233.405 GPRESSURE: 161200 110.873 119.076 170.119 7.60382 24.279 -355.429 237.515 -321.698 300.884 PRESSAVG: 161200 -28.2005 -100.109 51.0611 -100.109 7.72425 13.5699 51.0611 13.5699 -7.52547 GPRESSAVG: 161200 -30.2415 -102.432 52.0799 -101.042 8.17684 14.595 50.2061 12.8533 -5.80803 TIMING: 161200 CPU: 507.381, 0.00313584/step Wall: 507.381, 0.00313584/step, 4.21492 hours remaining, 236.527344 MB of memory in use. ENERGY: 161200 3991.4379 20446.5401 14396.0520 265.4737 -203408.8716 2552.7669 0.0000 0.0000 51886.8411 -109869.7600 298.1944 -161756.6011 -109512.4886 298.5697 108.9231 145.3452 759476.6112 -9.3339 -9.2909 PRESSURE: 161400 -13.6958 -298.014 140.743 -298.014 -217.265 -39.3542 140.742 -39.3541 -42.9178 GPRESSURE: 161400 -95.8984 -197.413 158.904 -355.772 -134.777 -56.7549 68.1078 1.53611 31.5395 PRESSAVG: 161400 18.5105 -64.9883 28.3251 -64.9884 -15.7714 8.2134 28.3252 8.2135 3.81186 GPRESSAVG: 161400 19.2066 -64.8257 27.2024 -64.4234 -15.1698 8.39972 24.8552 8.14164 2.04571 TIMING: 161400 CPU: 508.008, 0.00313285/step Wall: 508.008, 0.00313285/step, 4.21072 hours remaining, 236.527344 MB of memory in use. ENERGY: 161400 4073.3487 20593.5644 14394.7044 246.1702 -203139.7780 2272.9580 0.0000 0.0000 51968.4642 -109590.5683 298.6635 -161559.0324 -109221.3664 299.0441 -91.2929 -66.3787 759209.1676 2.1837 2.0275 PRESSURE: 161600 9.85212 -172.517 -60.6477 -172.517 -338.303 0.468472 -60.6486 0.468028 -333.524 GPRESSURE: 161600 69.4275 -91.8605 -18.2971 -186.306 -220.888 -1.54369 -104.268 -46.8061 -423.617 PRESSAVG: 161600 -4.44868 -23.7592 -26.1103 -23.7593 -24.3999 -12.1724 -26.1103 -12.1724 -3.63038 GPRESSAVG: 161600 -4.90747 -22.1392 -25.6604 -24.4799 -25.5642 -11.541 -25.1457 -12.2509 -2.19574 TIMING: 161600 CPU: 508.637, 0.003144/step Wall: 508.637, 0.003144/step, 4.22554 hours remaining, 236.527344 MB of memory in use. ENERGY: 161600 4001.1599 20712.9062 14484.5936 225.8668 -203134.2264 2247.3192 0.0000 0.0000 52092.6252 -109369.7556 299.3770 -161462.3808 -108998.9545 299.4655 -220.6581 -191.6925 761509.7549 -10.8263 -10.8891 PRESSURE: 161800 42.7991 -203.892 108.393 -203.893 -87.5631 131.464 108.393 131.464 16.0429 GPRESSURE: 161800 66.3325 -77.747 -31.4747 -140.33 -40.1904 81.7585 95.7436 176.612 15.0455 PRESSAVG: 161800 -2.36431 -37.109 44.7408 -37.109 -3.76026 -5.2537 44.7408 -5.25369 -7.20993 GPRESSAVG: 161800 -1.77335 -40.877 44.2247 -35.2416 -2.61845 -6.05922 45.5176 -3.88511 -8.57936 TIMING: 161800 CPU: 509.264, 0.00313737/step Wall: 509.264, 0.00313737/step, 4.21645 hours remaining, 236.527344 MB of memory in use. ENERGY: 161800 4053.1333 20643.5034 14411.6020 232.4484 -203560.9813 2645.9858 0.0000 0.0000 52123.6381 -109450.6704 299.5553 -161574.3085 -109082.6678 299.4313 -9.5737 13.7292 760292.4951 -4.4448 -4.3237 PRESSURE: 162000 112.052 12.4147 -164.696 12.4149 261.564 174.671 -164.698 174.673 243.903 GPRESSURE: 162000 208.485 -49.4347 -165.826 24.9276 194.615 56.2988 -71.2398 175.884 287.458 PRESSAVG: 162000 68.2929 4.1487 -44.9843 4.1487 -53.5458 48.9829 -44.9843 48.9828 7.14539 GPRESSAVG: 162000 69.2501 6.83495 -44.6249 3.4272 -54.5473 49.0832 -45.4947 48.1641 7.04578 TIMING: 162000 CPU: 509.893, 0.00314223/step Wall: 509.893, 0.00314222/step, 4.2228 hours remaining, 236.527344 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: 162000 4060.7205 20629.0360 14428.0738 245.5054 -203518.2420 2632.6382 0.0000 0.0000 52128.0652 -109394.2029 299.5807 -161522.2681 -109027.9555 299.8498 205.8392 230.1859 760826.8765 7.2975 7.2495 PRESSURE: 162200 139.707 30.7068 70.053 30.7068 61.6763 -65.4689 70.0526 -65.4689 320.076 GPRESSURE: 162200 146.671 -2.67045 148.029 44.2298 169.232 -69.8334 79.2968 50.1124 288.603 PRESSAVG: 162200 13.7299 0.6226 -13.4413 0.622559 -14.662 12.5658 -13.4413 12.5657 20.8238 GPRESSAVG: 162200 12.2749 0.697151 -12.9376 0.67148 -14.96 12.7193 -14.8425 14.2622 22.1642 TIMING: 162200 CPU: 510.523, 0.00315243/step Wall: 510.523, 0.00315243/step, 4.23634 hours remaining, 236.527344 MB of memory in use. ENERGY: 162200 3991.4157 20580.6906 14459.3871 250.1793 -203367.8698 2613.4954 0.0000 0.0000 52130.2815 -109342.4201 299.5934 -161472.7016 -108977.9452 299.7360 173.8197 201.5018 761128.9263 6.6306 6.4930 PRESSURE: 162400 -66.7204 22.6835 38.2879 22.6832 -63.5954 120.708 38.2865 120.708 -365.239 GPRESSURE: 162400 -94.4338 -38.282 31.8668 -27.8525 -56.0022 108.817 34.3307 46.5805 -238.271 PRESSAVG: 162400 -29.5497 -44.4324 29.7204 -44.4324 32.7305 -24.3061 29.7204 -24.3061 14.3591 GPRESSAVG: 162400 -29.539 -45.6741 28.9812 -46.7818 34.3391 -25.4172 31.4011 -24.3246 13.2177 TIMING: 162400 CPU: 511.151, 0.00314075/step Wall: 511.151, 0.00314075/step, 4.22047 hours remaining, 236.527344 MB of memory in use. ENERGY: 162400 4084.1075 20591.4508 14491.5272 247.5386 -203245.3226 2478.5429 0.0000 0.0000 52057.0589 -109295.0967 299.1726 -161352.1556 -108923.6409 299.9703 -165.1850 -129.5691 761252.0195 5.8466 6.0060 PRESSURE: 162600 -22.6875 27.574 -36.0561 27.5745 52.544 -188.218 -36.0569 -188.219 -60.1461 GPRESSURE: 162600 -19.4114 114.204 -104.628 8.05841 112.039 -270.367 -92.13 -114 -22.1225 PRESSAVG: 162600 -1.3437 -91.6758 -4.12654 -91.6758 -3.00174 -1.99167 -4.12659 -1.99166 -11.0793 GPRESSAVG: 162600 -0.0649519 -90.1659 -3.24146 -89.2252 -5.7201 -1.861 -4.39875 -4.09381 -9.52257 TIMING: 162600 CPU: 511.778, 0.00313298/step Wall: 511.778, 0.00313298/step, 4.20986 hours remaining, 236.527344 MB of memory in use. ENERGY: 162600 4068.0549 20531.0534 14512.8556 239.9860 -203080.8935 2470.7357 0.0000 0.0000 51941.6763 -109316.5317 298.5095 -161258.2080 -108943.0333 299.5371 -10.0965 23.5017 760753.4911 -5.1416 -5.1025 PRESSURE: 162800 151.178 -66.8575 -94.5124 -66.8586 88.5324 40.8587 -94.5118 40.859 66.9228 GPRESSURE: 162800 151.934 -99.787 -81.8021 -105.112 167.629 6.11954 -110.045 22.1569 75.5436 PRESSAVG: 162800 -2.28335 -69.0653 -40.2559 -69.0653 -14.2866 -22.6487 -40.256 -22.6486 1.58012 GPRESSAVG: 162800 -2.05753 -69.3518 -40.3289 -71.159 -12.7612 -24.3738 -40.9076 -21.6484 0.368641 TIMING: 162800 CPU: 512.409, 0.00315388/step Wall: 512.409, 0.00315388/step, 4.23776 hours remaining, 236.527344 MB of memory in use. ENERGY: 162800 4054.5533 20563.6420 14400.1314 259.3691 -203297.7682 2624.9153 0.0000 0.0000 52162.9784 -109232.1786 299.7814 -161395.1570 -108869.9685 299.7685 102.2112 131.7022 762151.4578 -4.9966 -4.8167 PRESSURE: 163000 -252.203 355.479 159.85 355.479 42.9784 -170.829 159.851 -170.829 -305.854 GPRESSURE: 163000 -217.464 294.916 163.774 192.347 58.9319 -113.002 -7.22337 -118.112 -264.345 PRESSAVG: 163000 -41.1075 -27.2882 -38.6342 -27.2882 23.0116 -45.0362 -38.6341 -45.0364 -15.3456 GPRESSAVG: 163000 -41.2348 -27.3978 -38.0428 -26.8439 22.8924 -43.2507 -40.2307 -44.5336 -15.0788 TIMING: 163000 CPU: 513.037, 0.00314289/step Wall: 513.037, 0.00314289/step, 4.22283 hours remaining, 236.527344 MB of memory in use. ENERGY: 163000 3957.7384 20574.9484 14421.7036 261.5144 -203306.7735 2712.3327 0.0000 0.0000 52134.8038 -109243.7324 299.6194 -161378.5361 -108887.3490 299.5393 -171.6927 -140.9590 762871.2765 -11.1472 -11.1404 PRESSURE: 163200 -189.925 -32.9627 342.396 -32.9628 214.001 195.399 342.398 195.398 -105.99 GPRESSURE: 163200 -108.746 -62.767 252.009 -83.2925 158.812 168.974 334.095 223.505 -38.3085 PRESSAVG: 163200 -42.8996 4.07847 39.4295 4.07845 15.7005 -20.7132 39.4294 -20.7131 -14.4638 GPRESSAVG: 163200 -43.0133 4.5921 38.7492 3.11121 15.2288 -20.3917 40.6139 -20.1796 -13.5353 TIMING: 163200 CPU: 513.663, 0.00313024/step Wall: 513.663, 0.00313024/step, 4.20566 hours remaining, 236.527344 MB of memory in use. ENERGY: 163200 4028.9657 20618.5182 14421.7708 228.1559 -203144.2720 2485.9477 0.0000 0.0000 52201.5670 -109159.3466 300.0031 -161360.9136 -108791.4717 299.7496 -27.3047 3.9192 762869.3576 -13.8876 -13.7733 PRESSURE: 163400 -210.424 -238.432 -241.724 -238.432 174.143 91.564 -241.724 91.562 -352.305 GPRESSURE: 163400 -83.9551 -164.018 -227.721 -265.516 165.817 36.8306 -227.336 25.9015 -398.004 PRESSAVG: 163400 -64.0456 -8.11484 58.3024 -8.11485 30.6443 57.4688 58.3024 57.4688 -0.34672 GPRESSAVG: 163400 -64.6514 -9.84736 58.6606 -7.12693 32.2639 57.9237 59.8816 56.4592 -1.70948 TIMING: 163400 CPU: 514.292, 0.00314541/step Wall: 514.292, 0.00314541/step, 4.22586 hours remaining, 236.527344 MB of memory in use. ENERGY: 163400 4063.9911 20537.1295 14380.5159 233.6103 -203303.8539 2732.6067 0.0000 0.0000 52106.5520 -109249.4484 299.4571 -161356.0004 -108896.8340 299.5273 -129.5287 -105.3806 762323.5600 -11.2493 -11.3656 PRESSURE: 163600 119.199 -126.742 -38.4645 -126.742 283.888 376.895 -38.465 376.894 224.247 GPRESSURE: 163600 155.595 -145.951 -12.6377 -36.2105 263.558 372.372 -83.3335 227.369 291.707 PRESSAVG: 163600 -51.0362 -62.8195 -23.7753 -62.8194 88.846 17.2493 -23.7753 17.2493 16.3584 GPRESSAVG: 163600 -50.6676 -62.9179 -24.9549 -60.3557 86.7997 15.7532 -24.7483 17.974 17.9014 TIMING: 163600 CPU: 514.917, 0.00312182/step Wall: 514.917, 0.00312182/step, 4.19399 hours remaining, 236.527344 MB of memory in use. ENERGY: 163600 4018.6178 20584.6910 14413.9571 233.4638 -203365.5603 2762.7375 0.0000 0.0000 52180.4678 -109171.6253 299.8819 -161352.0931 -108817.2518 299.8327 209.1112 236.9534 761525.5693 18.0561 18.0112 PRESSURE: 163800 -669.544 38.5216 239.96 38.522 -148.565 2.9508 239.96 2.95075 -172.873 GPRESSURE: 163800 -579.664 102.141 239.8 50.3882 -128.488 27.083 156.099 41.2872 -206.617 PRESSAVG: 163800 -47.0565 -26.6031 31.2083 -26.6031 63.1589 31.0573 31.2082 31.0572 0.812388 GPRESSAVG: 163800 -46.5469 -24.3548 30.6823 -28.4666 64.5288 32.1722 32.2196 31.0827 -0.566907 TIMING: 163800 CPU: 515.544, 0.00313749/step Wall: 515.544, 0.00313749/step, 4.21486 hours remaining, 236.527344 MB of memory in use. ENERGY: 163800 4000.6910 20726.8472 14452.1955 231.6393 -202957.1577 2233.2522 0.0000 0.0000 51968.9816 -109343.5510 298.6665 -161312.5325 -108975.3865 299.7228 -330.3275 -304.9230 763120.0241 5.6383 5.8050 PRESSURE: 164000 -383.89 279.772 31.1764 279.773 240.078 -34.7186 31.1763 -34.7198 158.989 GPRESSURE: 164000 -406.313 411.6 3.69138 151.112 339.238 -121.253 35.0635 -17.9166 177.588 PRESSAVG: 164000 -70.2427 22.7412 -9.93677 22.7411 66.5716 5.02376 -9.93679 5.0237 -2.70329 GPRESSAVG: 164000 -68.8705 21.536 -10.3735 22.6302 67.025 3.76976 -9.62768 3.47981 -3.3698 TIMING: 164000 CPU: 516.17, 0.00313136/step Wall: 516.17, 0.00313136/step, 4.20646 hours remaining, 236.527344 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: 164000 3909.1994 20550.9076 14488.0904 258.4146 -203512.1254 2779.6852 0.0000 0.0000 52196.7066 -109329.1215 299.9752 -161525.8281 -108970.4392 299.1182 5.0589 36.8377 761204.7000 -2.1248 -1.7384 PRESSURE: 164200 -115.091 -190.819 57.6912 -190.819 -246.023 64.0617 57.6911 64.0619 171.965 GPRESSURE: 164200 -38.947 -165.686 52.3841 -83.5282 -237.455 40.0615 268.798 170.881 175.517 PRESSAVG: 164200 -6.98662 -58.3242 10.3172 -58.3242 3.74564 25.419 10.3173 25.4189 -13.4382 GPRESSAVG: 164200 -8.42154 -56.249 12.0943 -58.6449 3.59249 29.2472 9.80839 24.2553 -12.1293 TIMING: 164200 CPU: 516.801, 0.0031548/step Wall: 516.801, 0.0031548/step, 4.23778 hours remaining, 236.527344 MB of memory in use. ENERGY: 164200 3956.2404 20506.1258 14508.1620 241.8390 -203457.7897 2799.5922 0.0000 0.0000 51969.3619 -109476.4683 298.6686 -161445.8302 -109118.2397 299.3290 -63.0499 -33.6283 763175.1399 -5.5597 -5.6528 LDB: ============= START OF LOAD BALANCING ============== 529.252 LDB: ============== END OF LOAD BALANCING =============== 529.252 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 529.254 LDB: ============= START OF LOAD BALANCING ============== 529.571 LDB: Largest compute 7076 load 0.037948 is 19.5% of average load 0.194788 LDB: Average compute 0.004382 is 2.2% of average load 0.194788 LDB: TIME 529.574 LOAD: AVG 0.194788 MAX 0.212086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.785 MB LDB: TIME 529.574 LOAD: AVG 0.194788 MAX 0.212086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.859 MB LDB: TIME 529.574 LOAD: AVG 0.194788 MAX 0.212086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.859 MB LDB: ============== END OF LOAD BALANCING =============== 529.576 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 529.581 PRESSURE: 164400 185.195 182.481 -41.2662 182.482 123.869 87.067 -41.2655 87.0661 150.081 GPRESSURE: 164400 161.891 177.986 -50.817 107.528 234.177 150.518 -51.9023 46.3196 154.813 PRESSAVG: 164400 -47.4737 27.9039 32.5477 27.9038 3.31755 17.3482 32.5476 17.3481 -11.4557 GPRESSAVG: 164400 -48.85 26.4046 30.7097 29.04 4.5029 15.3889 33.0196 19.5937 -10.989 TIMING: 164400 CPU: 517.445, 0.0032194/step Wall: 517.445, 0.0032194/step, 4.32437 hours remaining, 234.273438 MB of memory in use. ENERGY: 164400 3937.8116 20404.6115 14494.6638 248.3613 -203613.2366 2779.1951 0.0000 0.0000 52186.5432 -109562.0502 299.9168 -161748.5934 -109193.7225 298.6133 153.0481 183.6274 762433.9210 -18.5373 -18.4454 PRESSURE: 164600 64.6328 144.261 36.253 144.261 137.313 -36.8832 36.252 -36.8823 318.809 GPRESSURE: 164600 52.1525 32.4242 -36.5221 58.7547 136.162 -151.621 60.1308 -50.4073 389.444 PRESSAVG: 164600 -13.5689 -2.61161 42.7508 -2.61163 -7.1473 35.3925 42.7509 35.3925 5.94669 GPRESSAVG: 164600 -12.4041 -5.22827 43.804 -3.86588 -8.35912 33.0454 41.827 33.118 5.71778 TIMING: 164600 CPU: 518.076, 0.0031528/step Wall: 518.076, 0.0031528/step, 4.23473 hours remaining, 234.273438 MB of memory in use. ENERGY: 164600 3954.4405 20662.9416 14426.1897 242.9172 -203170.9086 2608.7456 0.0000 0.0000 51962.4504 -109313.2236 298.6289 -161275.6740 -108958.1080 298.8516 173.5847 192.5864 763749.1195 -4.9232 -5.0152 PRESSURE: 164800 -175.445 189.801 15.5414 189.801 -153.291 213.743 15.5424 213.741 -63.389 GPRESSURE: 164800 -201.426 204.58 58.9059 109.757 -167.737 205.758 -13.7666 69.963 58.0613 PRESSAVG: 164800 27.6491 -49.9186 30.0083 -49.9187 3.71831 -8.37271 30.0083 -8.37277 -15.0008 GPRESSAVG: 164800 28.0591 -47.9406 30.6144 -49.9995 3.15315 -7.79183 29.8084 -7.27655 -14.7465 TIMING: 164800 CPU: 518.706, 0.0031491/step Wall: 518.706, 0.0031491/step, 4.2296 hours remaining, 234.273438 MB of memory in use. ENERGY: 164800 3950.6065 20530.7708 14435.2699 237.1586 -202928.6728 2350.2393 0.0000 0.0000 51944.2144 -109480.4133 298.5241 -161424.6277 -109114.6604 298.5672 -130.7082 -103.7006 763499.6925 5.4555 5.4886 PRESSURE: 165000 -114.729 -281.74 105.275 -281.741 -224.855 -112.227 105.275 -112.226 -606.513 GPRESSURE: 165000 -82.2061 -225.291 139.325 -272.468 -221.208 -47.9139 14.5893 -75.8465 -558.483 PRESSAVG: 165000 3.13124 -42.3567 13.5025 -42.3567 22.2957 -15.5167 13.5025 -15.5168 -14.2068 GPRESSAVG: 165000 1.9917 -43.8813 13.593 -43.2007 21.4494 -14.9956 12.8223 -14.8728 -12.0072 TIMING: 165000 CPU: 519.33, 0.00311971/step Wall: 519.33, 0.00311971/step, 4.18995 hours remaining, 234.273438 MB of memory in use. ENERGY: 165000 4087.8905 20591.5467 14410.7738 238.1495 -203156.9555 2327.0926 0.0000 0.0000 52026.0982 -109475.4043 298.9947 -161501.5024 -109118.6529 298.7045 -315.3658 -287.2992 762147.5759 3.7401 3.8113 PRESSURE: 165200 214.855 78.5748 31.0542 78.5749 -298.407 -32.6406 31.0538 -32.6399 125.208 GPRESSURE: 165200 128.472 -45.1715 64.9622 152.194 -266.391 -35.3893 28.9075 -77.9382 261.247 PRESSAVG: 165200 9.97665 -54.2101 -13.3708 -54.2101 -14.3755 -1.68573 -13.3708 -1.68572 28.7832 GPRESSAVG: 165200 10.0468 -52.7142 -13.2813 -54.3716 -13.1371 -1.82734 -12.2996 -2.48217 26.9219 TIMING: 165200 CPU: 519.956, 0.00312963/step Wall: 519.956, 0.00312963/step, 4.20309 hours remaining, 234.273438 MB of memory in use. ENERGY: 165200 3978.4306 20426.7052 14498.9050 259.6006 -203257.0632 2645.9183 0.0000 0.0000 51989.8125 -109457.6911 298.7862 -161447.5036 -109088.8504 298.5568 13.8850 41.1094 761760.0841 8.1281 7.9439 PRESSURE: 165400 117.833 -120.808 -55.946 -120.808 70.3593 -70.4617 -55.9468 -70.462 -99.8423 GPRESSURE: 165400 119.699 -73.216 -25.267 -39.0044 84.0232 -107.194 -105.11 -78.1763 -10.6108 PRESSAVG: 165400 15.6783 -103.699 13.9096 -103.699 -2.47811 10.2096 13.9096 10.2096 19.7478 GPRESSAVG: 165400 15.0216 -105.41 14.928 -101.757 -2.33644 8.71367 13.0911 10.2937 20.0332 TIMING: 165400 CPU: 520.596, 0.00320266/step Wall: 520.596, 0.00320266/step, 4.30099 hours remaining, 234.273438 MB of memory in use. ENERGY: 165400 4029.1658 20390.7627 14447.3667 245.6604 -203068.3192 2586.9473 0.0000 0.0000 52048.5337 -109319.8827 299.1236 -161368.4164 -108963.8085 299.2785 29.4501 64.3705 761754.5851 10.9827 10.9061 PRESSURE: 165600 -465.139 -36.871 -149.683 -36.8706 -117.182 94.0268 -149.683 94.0258 -75.6067 GPRESSURE: 165600 -458.033 -135.272 -141.024 -27.9717 -62.9492 -27.1328 -86.0928 22.5253 -40.0899 PRESSAVG: 165600 -18.3997 -51.6161 41.6837 -51.6162 7.44546 7.52408 41.6837 7.5241 -11.7354 GPRESSAVG: 165600 -16.6228 -49.5355 39.4361 -54.115 6.49516 8.11935 44.4997 8.44624 -12.1662 TIMING: 165600 CPU: 521.225, 0.00314686/step Wall: 521.225, 0.00314686/step, 4.22589 hours remaining, 234.273438 MB of memory in use. ENERGY: 165600 4011.1780 20614.5170 14406.7238 255.3067 -203053.3165 2475.1078 0.0000 0.0000 51769.4509 -109521.0323 297.5197 -161290.4832 -109175.6742 298.9136 -219.3093 -187.0240 762759.0003 -7.5632 -7.4313 PRESSURE: 165800 115.45 -41.6235 -68.2124 -41.6239 -77.0076 -169.47 -68.2111 -169.471 116.839 GPRESSURE: 165800 51.0859 -81.0108 -56.0097 28.4701 77.3191 -127.653 -96.8943 -140.347 105.197 PRESSAVG: 165800 8.95232 -53.9636 80.0542 -53.9636 11.5695 -17.2041 80.0542 -17.2042 -7.51988 GPRESSAVG: 165800 7.42783 -54.3184 81.6874 -52.5944 12.9027 -15.9012 79.0821 -16.3534 -6.87142 TIMING: 165800 CPU: 521.852, 0.00313442/step Wall: 521.852, 0.00313442/step, 4.209 hours remaining, 234.273438 MB of memory in use. ENERGY: 165800 4020.2297 20502.7562 14481.6998 250.8732 -203241.9829 2443.8920 0.0000 0.0000 52056.5411 -109485.9909 299.1697 -161542.5320 -109119.0722 298.9439 51.7605 77.8674 761331.6999 4.3340 4.4864 PRESSURE: 166000 210.895 63.5173 -77.0858 63.5185 224.032 43.794 -77.0852 43.7949 87.0085 GPRESSURE: 166000 311.23 159.308 -140.085 73.3377 233.376 16.9876 69.3899 56.629 69.3785 PRESSAVG: 166000 17.7803 -30.4153 24.5465 -30.4153 10.9175 16.8947 24.5464 16.8946 -7.85325 GPRESSAVG: 166000 18.5874 -31.9312 24.5566 -31.1027 10.1206 16.586 24.4812 16.0658 -8.57348 TIMING: 166000 CPU: 522.479, 0.00313403/step Wall: 522.479, 0.00313403/step, 4.2083 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 166000 3978.6380 20491.7727 14507.7408 264.4988 -203297.2263 2614.0680 0.0000 0.0000 52050.9481 -109389.5599 299.1375 -161440.5080 -109027.7571 299.0360 173.9786 204.6616 762120.9397 6.9482 6.7115 PRESSURE: 166200 3.15651 -77.196 -104.201 -77.1964 50.2949 -96.0888 -104.201 -96.0886 203.133 GPRESSURE: 166200 49.0223 -41.9749 -70.1851 -57.8424 142.232 -116.056 -198.538 -68.4804 154.315 PRESSAVG: 166200 -10.6632 -40.8811 36.1307 -40.8811 10.0244 -22.8513 36.1307 -22.8513 -8.97734 GPRESSAVG: 166200 -11.6158 -38.3487 36.364 -42.1161 9.93936 -22.2876 36.8767 -23.0112 -7.97757 TIMING: 166200 CPU: 523.108, 0.00314504/step Wall: 523.108, 0.00314504/step, 4.22291 hours remaining, 234.273438 MB of memory in use. ENERGY: 166200 4020.3967 20559.7743 14442.3652 244.2945 -203287.9402 2684.6277 0.0000 0.0000 52015.5580 -109320.9238 298.9341 -161336.4818 -108960.2171 299.3003 85.5282 115.1898 762585.6415 -3.2054 -3.2180 PRESSURE: 166400 -100.583 71.2518 -49.1559 71.2522 -105.438 31.5298 -49.1556 31.5296 202.285 GPRESSURE: 166400 -132.766 28.3382 -5.35333 20.3799 -2.63472 46.8725 -107.543 17.2086 212.286 PRESSAVG: 166400 -30.8591 -37.4244 -5.06115 -37.4244 16.6213 24.3099 -5.06125 24.3098 53.2081 GPRESSAVG: 166400 -30.6617 -41.466 -5.73314 -35.0849 16.6574 25.1534 -8.14181 23.6262 52.9476 TIMING: 166400 CPU: 523.737, 0.00314626/step Wall: 523.737, 0.00314626/step, 4.22438 hours remaining, 234.273438 MB of memory in use. ENERGY: 166400 4032.7939 20469.5883 14427.1103 253.5112 -203070.9200 2456.8090 0.0000 0.0000 52281.0851 -109150.0221 300.4601 -161431.1072 -108793.4511 299.5538 -1.2454 25.6283 762996.8078 12.9901 12.9811 PRESSURE: 166600 -235.722 -0.692536 311.261 -0.691814 -30.5957 14.3151 311.261 14.3147 -420.064 GPRESSURE: 166600 -162.213 14.1136 327.332 47.3712 83.8384 -48.8521 355.744 72.642 -526.194 PRESSAVG: 166600 -21.9356 -62.0084 40.2419 -62.0084 54.5959 19.8898 40.2418 19.8897 8.64351 GPRESSAVG: 166600 -21.2516 -60.4485 40.5454 -63.0752 54.0969 19.6573 40.2313 22.8194 8.0472 TIMING: 166600 CPU: 524.369, 0.00315816/step Wall: 524.369, 0.00315816/step, 4.24018 hours remaining, 234.273438 MB of memory in use. ENERGY: 166600 3998.3652 20684.1363 14434.3883 262.0699 -202819.5774 2426.7443 0.0000 0.0000 51854.8941 -109158.9792 298.0108 -161013.8734 -108803.6451 299.2661 -228.7940 -201.5230 764125.3074 13.7679 13.6309 PRESSURE: 166800 -339.217 -93.3843 -161.291 -93.3835 110.25 114.532 -161.291 114.534 35.662 GPRESSURE: 166800 -178.048 -168.455 -208.082 29.7946 79.4108 195.699 -87.8855 81.9411 -0.847929 PRESSAVG: 166800 -76.6425 -63.5092 19.1472 -63.5092 72.0669 -26.8153 19.1472 -26.8153 -3.23971 GPRESSAVG: 166800 -75.9089 -63.2299 16.9239 -61.784 71.719 -26.6245 21.4414 -30.152 -3.67808 TIMING: 166800 CPU: 525.002, 0.00316458/step Wall: 525.002, 0.00316458/step, 4.24862 hours remaining, 234.273438 MB of memory in use. ENERGY: 166800 3954.2156 20574.6171 14448.6988 246.3007 -202793.7160 2475.0903 0.0000 0.0000 52055.9990 -109038.7946 299.1665 -161094.7935 -108674.4157 299.2080 -64.4351 -33.1617 762276.7398 -2.6051 -2.6227 PRESSURE: 167000 -192.814 -51.5812 129.254 -51.5805 -412.892 -26.3732 129.254 -26.3725 -646.839 GPRESSURE: 167000 -234.938 -23.1058 -6.50755 20.6417 -327.247 54.5112 183.739 -93.8823 -618.227 PRESSAVG: 167000 -17.3959 -82.2599 -32.4514 -82.2599 -1.72104 -12.5694 -32.4514 -12.5693 -2.65448 GPRESSAVG: 167000 -18.1065 -81.5358 -30.9158 -83.9798 -0.665357 -13.3951 -31.8009 -10.9594 -3.04748 TIMING: 167000 CPU: 525.631, 0.00314287/step Wall: 525.631, 0.00314287/step, 4.21931 hours remaining, 234.273438 MB of memory in use. ENERGY: 167000 4012.0164 20558.1061 14506.6728 225.2670 -202813.9520 2268.4032 0.0000 0.0000 52159.8699 -109083.6166 299.7635 -161243.4865 -108720.5398 299.2696 -417.5150 -393.4705 763937.3368 -7.2571 -7.2731 PRESSURE: 167200 -135.72 73.147 -92.3938 73.1484 529.923 -127.231 -92.3941 -127.232 -110.699 GPRESSURE: 167200 -118.907 96.0827 -195.078 79.6401 470.557 -238.558 -50.4252 -56.6218 10.3098 PRESSAVG: 167200 14.0614 -3.8871 -47.7905 -3.88712 34.3741 6.92867 -47.7905 6.92864 -14.7737 GPRESSAVG: 167200 14.2511 -4.36248 -48.5234 -5.79242 33.2677 7.20168 -47.3991 5.89685 -13.983 TIMING: 167200 CPU: 526.264, 0.00316588/step Wall: 526.264, 0.00316588/step, 4.25002 hours remaining, 234.273438 MB of memory in use. ENERGY: 167200 3963.9592 20524.4522 14503.8248 244.3586 -202966.8266 2552.1585 0.0000 0.0000 52045.1100 -109132.9634 299.1040 -161178.0733 -108766.4305 299.6161 94.5014 120.6532 760917.8885 11.2206 11.1786 PRESSURE: 167400 48.0759 -136 -168.344 -135.999 99.9252 -65.1291 -168.345 -65.1282 -74.8855 GPRESSURE: 167400 51.337 -130.612 -141.055 -11.4452 159.35 -90.766 -135.995 -88.6672 -40.0181 PRESSAVG: 167400 -24.8244 -38.3845 1.75038 -38.3845 14.7424 1.82627 1.75033 1.82626 -4.3288 GPRESSAVG: 167400 -25.7524 -40.2554 2.83399 -35.3506 16.4641 2.07422 -0.182597 3.92359 -4.74698 TIMING: 167400 CPU: 526.895, 0.00315842/step Wall: 526.895, 0.00315842/step, 4.23983 hours remaining, 234.273438 MB of memory in use. ENERGY: 167400 3989.7835 20493.8586 14510.3750 250.6027 -202905.1718 2538.2814 0.0000 0.0000 51881.2824 -109240.9882 298.1624 -161122.2706 -108880.9769 299.0243 24.3719 56.8897 761976.2764 -4.8036 -4.6784 PRESSURE: 167600 110.502 136.887 30.9204 136.888 185.318 7.27241 30.9197 7.27285 2.09124 GPRESSURE: 167600 180.405 139.305 16.4108 119.015 195.334 -32.271 81.1375 -39.2292 21.7628 PRESSAVG: 167600 -15.5946 -29.8001 -41.7504 -29.8001 52.8555 -73.6314 -41.7504 -73.6314 -8.07682 GPRESSAVG: 167600 -15.025 -27.3544 -39.7366 -31.4932 52.2736 -74.4386 -41.4875 -74.957 -8.29299 TIMING: 167600 CPU: 527.525, 0.00314649/step Wall: 527.525, 0.00314649/step, 4.22364 hours remaining, 234.273438 MB of memory in use. ENERGY: 167600 3909.2192 20524.7906 14457.4776 227.3146 -203147.7209 2603.5707 0.0000 0.0000 52081.5621 -109343.7861 299.3135 -161425.3482 -108979.1137 299.7569 99.3036 132.5006 762266.2825 9.7281 9.6519 PRESSURE: 167800 518.028 21.816 -101.609 21.8159 54.386 -194.148 -101.609 -194.149 85.3795 GPRESSURE: 167800 481.079 9.53721 -101.444 95.1189 130.59 -100.891 -69.4592 -237.666 129.886 PRESSAVG: 167800 -45.5267 -45.441 -36.0167 -45.441 50.6332 -33.2909 -36.0167 -33.291 -11.4203 GPRESSAVG: 167800 -44.8625 -45.3573 -36.9001 -45.6217 49.9174 -30.0615 -35.1296 -34.6281 -11.7503 TIMING: 167800 CPU: 528.156, 0.00315519/step Wall: 528.156, 0.00315519/step, 4.23514 hours remaining, 234.273438 MB of memory in use. ENERGY: 167800 4027.7916 20359.1031 14551.4614 254.6393 -203395.1030 2878.3038 0.0000 0.0000 52016.0518 -109307.7520 298.9370 -161323.8038 -108936.8730 299.1768 219.2644 247.1848 760887.7252 -2.1046 -2.2318 PRESSURE: 168000 -101.129 4.27928 -90.3043 4.28013 -302.589 -44.9792 -90.3052 -44.9793 240.423 GPRESSURE: 168000 -46.9452 43.5337 -172.13 106.589 -245.766 -90.023 -27.8055 -92.3528 205.478 PRESSAVG: 168000 -40.8647 -9.02206 11.7941 -9.02216 12.3628 -24.1341 11.7942 -24.1342 3.23551 GPRESSAVG: 168000 -41.3776 -7.09422 10.3017 -10.6677 12.9782 -26.587 11.6263 -21.4946 2.54521 TIMING: 168000 CPU: 528.784, 0.00313932/step Wall: 528.784, 0.00313932/step, 4.21367 hours remaining, 234.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 168000 3894.8009 20464.3196 14475.2868 233.3962 -203134.3524 2737.7509 0.0000 0.0000 51877.0538 -109451.7443 298.1381 -161328.7981 -109097.3614 298.7795 -54.4319 -29.0777 763085.6895 -8.4221 -8.6181 PRESSURE: 168200 -51.0526 287.228 207.984 287.229 -64.5348 116.661 207.984 116.66 -170.471 GPRESSURE: 168200 -97.1779 202.356 199.171 268.989 -26.9407 105.49 150.01 -44.4093 -94.8542 PRESSAVG: 168200 15.5302 13.4376 17.6452 13.4375 -6.38041 -0.0994511 17.6451 -0.099378 5.84374 GPRESSAVG: 168200 14.1491 9.68703 18.8283 16.6409 -6.77192 0.182354 17.0347 -2.51566 6.95485 TIMING: 168200 CPU: 529.411, 0.0031388/step Wall: 529.411, 0.0031388/step, 4.2128 hours remaining, 234.273438 MB of memory in use. ENERGY: 168200 3992.0388 20348.0294 14470.7329 248.4836 -202986.6612 2443.8618 0.0000 0.0000 51808.3663 -109675.1483 297.7434 -161483.5146 -109311.3143 298.1251 -95.3528 -72.9909 763248.6959 4.9978 4.7773 LDB: ============= START OF LOAD BALANCING ============== 541.862 LDB: ============== END OF LOAD BALANCING =============== 541.863 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.864 LDB: ============= START OF LOAD BALANCING ============== 542.181 LDB: Largest compute 7073 load 0.036601 is 18.8% of average load 0.194805 LDB: Average compute 0.004371 is 2.2% of average load 0.194805 LDB: TIME 542.184 LOAD: AVG 0.194805 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.785 MB LDB: TIME 542.185 LOAD: AVG 0.194805 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: TIME 542.185 LOAD: AVG 0.194805 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: ============== END OF LOAD BALANCING =============== 542.187 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 542.192 PRESSURE: 168400 -460.991 -23.9513 247.567 -23.9525 79.3282 54.7344 247.568 54.7346 105.855 GPRESSURE: 168400 -315.372 -30.5338 227.664 -32.942 18.723 -20.0305 316.898 56.3453 114.485 PRESSAVG: 168400 -43.6723 18.1173 6.67372 18.1173 17.8117 -76.3949 6.67372 -76.3949 -27.5489 GPRESSAVG: 168400 -41.6251 20.0609 5.90564 17.5454 18.022 -76.9397 8.06466 -75.8376 -28.7853 TIMING: 168400 CPU: 530.056, 0.0032219/step Wall: 530.056, 0.0032219/step, 4.32415 hours remaining, 234.785156 MB of memory in use. ENERGY: 168400 4018.3101 20520.1006 14399.0783 255.8413 -203275.1118 2640.8260 0.0000 0.0000 51764.7866 -109676.1689 297.4929 -161440.9555 -109315.4565 297.8659 -91.9356 -60.7211 762869.0673 -17.8031 -17.4628 PRESSURE: 168600 -88.7994 60.0264 -148.28 60.0275 -162.577 -66.0474 -148.28 -66.0468 -202.24 GPRESSURE: 168600 -83.1124 34.4416 -161.379 -7.03763 -113.04 -62.0344 -158.1 -92.1087 -164.162 PRESSAVG: 168600 -10.8262 1.05845 3.82874 1.05848 -12.3997 -2.00575 3.82872 -2.00569 -0.272709 GPRESSAVG: 168600 -11.775 -0.481076 6.0639 0.393597 -12.0698 -4.08618 2.39739 -0.325545 0.102693 TIMING: 168600 CPU: 530.686, 0.0031521/step Wall: 530.686, 0.0031521/step, 4.23029 hours remaining, 234.988281 MB of memory in use. ENERGY: 168600 4002.9962 20455.0445 14458.9517 265.3581 -202991.9706 2224.3127 0.0000 0.0000 51805.3185 -109779.9891 297.7259 -161585.3075 -109410.3014 298.3681 -151.2056 -120.1046 762677.4036 -7.8329 -7.9140 PRESSURE: 168800 26.7731 -26.4803 8.10991 -26.4805 25.384 -139.26 8.10883 -139.26 -0.326271 GPRESSURE: 168800 186.93 -78.923 -3.85788 61.3446 -21.9177 -177.362 52.5975 -112.124 -52.5276 PRESSAVG: 168800 9.2072 -27.8464 4.73081 -27.8464 -9.98891 -3.12402 4.73074 -3.12402 -6.92787 GPRESSAVG: 168800 9.37363 -27.2521 1.31333 -27.1686 -10.0637 0.295913 5.3838 -5.21675 -6.3804 TIMING: 168800 CPU: 531.315, 0.00314375/step Wall: 531.315, 0.00314375/step, 4.21892 hours remaining, 234.988281 MB of memory in use. ENERGY: 168800 3903.3890 20483.7478 14408.2106 244.5003 -203452.4601 2562.3885 0.0000 0.0000 51772.1882 -110078.0357 297.5355 -161850.2239 -109710.8730 297.7966 17.2770 37.4949 762097.2432 -2.5699 -2.3568 PRESSURE: 169000 74.3908 -5.28607 -352.946 -5.2855 58.8553 -145.059 -352.946 -145.058 -128.596 GPRESSURE: 169000 132.917 -11.4826 -277.7 24.796 79.4608 -112.711 -239.365 -85.1754 -126.846 PRESSAVG: 169000 -11.5822 -36.3742 1.83463 -36.3742 15.5187 -11.1039 1.83465 -11.1039 -5.46448 GPRESSAVG: 169000 -11.0621 -36.3601 2.46254 -38.1593 14.7907 -12.7598 2.90836 -8.28768 -5.5102 TIMING: 169000 CPU: 531.945, 0.00315215/step Wall: 531.945, 0.00315215/step, 4.23001 hours remaining, 234.988281 MB of memory in use. ENERGY: 169000 3988.6299 20376.8838 14471.1967 255.7590 -203283.3364 2496.4728 0.0000 0.0000 52006.7586 -109687.6355 298.8836 -161694.3941 -109327.2714 298.0747 1.5500 28.5108 760682.7541 -0.5093 -0.5939 PRESSURE: 169200 -355.404 -228.339 5.62378 -228.34 -178.901 119.665 5.62351 119.664 -26.9921 GPRESSURE: 169200 -344.46 -211.819 50.9582 -149.079 -80.258 57.4535 52.2938 178.416 -16.6217 PRESSAVG: 169200 6.78334 -40.7194 -50.2529 -40.7194 -52.2471 17.5649 -50.2529 17.5649 -12.6734 GPRESSAVG: 169200 6.09174 -40.2788 -48.9434 -37.9511 -51.8631 17.2907 -52.1058 15.8674 -12.4457 TIMING: 169200 CPU: 532.572, 0.0031319/step Wall: 532.572, 0.0031319/step, 4.20266 hours remaining, 234.988281 MB of memory in use. ENERGY: 169200 4035.5062 20460.6447 14465.0719 238.6845 -202546.0224 2177.3388 0.0000 0.0000 51787.4778 -109381.2985 297.6233 -161168.7763 -109015.7983 298.8298 -187.0990 -147.1132 762645.9839 -19.3791 -19.4057 PRESSURE: 169400 -150.91 -152.323 30.8852 -152.323 -206.233 79.891 30.8849 79.8909 -114.562 GPRESSURE: 169400 -120.089 -32.3646 116.736 -177.465 -163.748 -24.6331 29.5266 225.554 -114.478 PRESSAVG: 169400 -65.6478 -30.3263 51.3574 -30.3263 -6.0396 31.2743 51.3573 31.2743 -7.74743 GPRESSAVG: 169400 -65.8242 -29.9253 49.8292 -33.047 -6.3886 30.9275 52.9772 33.1255 -7.04697 TIMING: 169400 CPU: 533.201, 0.00314888/step Wall: 533.201, 0.00314888/step, 4.22528 hours remaining, 234.988281 MB of memory in use. ENERGY: 169400 3931.2612 20582.1584 14480.3203 240.9354 -203003.5973 2487.3509 0.0000 0.0000 52045.4905 -109236.0807 299.1061 -161281.5712 -108883.1021 299.3415 -157.2348 -132.7717 762371.5329 -26.4783 -26.4199 PRESSURE: 169600 -426.956 -68.5176 -217.014 -68.5182 -461.2 -6.6801 -217.014 -6.6799 -141.578 GPRESSURE: 169600 -392.689 -128.41 -191.355 -154.212 -413.016 -28.048 -233.566 -42.0182 -149.927 PRESSAVG: 169600 -29.9203 -23.1227 2.60273 -23.1227 50.4363 -23.7534 2.60271 -23.7534 -12.4381 GPRESSAVG: 169600 -29.2899 -24.6013 3.37001 -21.4998 50.2695 -22.1631 2.06561 -25.1173 -12.64 TIMING: 169600 CPU: 533.831, 0.00314741/step Wall: 533.831, 0.00314741/step, 4.22312 hours remaining, 234.988281 MB of memory in use. ENERGY: 169600 3991.0179 20465.5118 14486.6860 247.7285 -203041.6875 2419.8977 0.0000 0.0000 52146.2749 -109284.5707 299.6854 -161430.8456 -108940.5775 299.6893 -343.2447 -318.5439 762144.9524 2.6927 2.7798 PRESSURE: 169800 -72.2943 131.321 29.1004 131.321 -177.966 211.876 29.1002 211.875 -55.3807 GPRESSURE: 169800 -8.63353 123.504 103.506 145.403 -240.752 103.828 20.377 100.082 27.8531 PRESSAVG: 169800 -12.2519 -40.5461 -14.5708 -40.5461 11.5072 21.8237 -14.5708 21.8238 9.7736 GPRESSAVG: 169800 -13.1711 -40.6917 -15.5581 -40.4797 13.265 20.3328 -15.0664 20.081 8.9336 TIMING: 169800 CPU: 534.463, 0.00316151/step Wall: 534.463, 0.00316151/step, 4.24187 hours remaining, 234.988281 MB of memory in use. ENERGY: 169800 4014.1042 20564.1576 14446.1626 241.2243 -203195.0444 2604.1750 0.0000 0.0000 52136.4399 -109188.7808 299.6288 -161325.2206 -108827.5513 299.3203 -101.8804 -73.8442 761336.6550 3.0096 3.0092 PRESSURE: 170000 65.8175 -206.688 -123.696 -206.688 -102.337 -47.7904 -123.695 -47.7896 -257.592 GPRESSURE: 170000 62.7118 -156.061 -94.9268 -252.571 -24.4767 -60.4382 -93.1639 29.6194 -231.773 PRESSAVG: 170000 -42.2667 -66.5907 9.06074 -66.5906 37.2879 32.9955 9.06079 32.9956 -16.5878 GPRESSAVG: 170000 -41.7635 -66.4701 10.1146 -66.0225 36.5625 35.1593 8.73025 33.2254 -16.4137 TIMING: 170000 CPU: 535.094, 0.00315581/step Wall: 535.094, 0.00315581/step, 4.23405 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 170000 3976.6602 20544.7956 14458.8399 231.4840 -203121.4016 2661.2250 0.0000 0.0000 52126.7497 -109121.6472 299.5731 -161248.3969 -108761.5631 300.0105 -98.0371 -64.5125 761121.9446 -7.1889 -7.2049 PRESSURE: 170200 -604.683 94.8134 -53.8513 94.8129 103.808 -97.7235 -53.851 -97.7222 -33.5578 GPRESSURE: 170200 -581.401 154.707 -50.3174 8.08759 117.836 -147.373 -68.8767 -185.338 33.1476 PRESSAVG: 170200 -60.8654 -12.8993 -66.1531 -12.8993 51.2736 -43.2247 -66.1531 -43.2247 11.1707 GPRESSAVG: 170200 -60.9798 -11.5168 -64.0777 -13.3259 50.3539 -45.0651 -66.9947 -43.9887 11.7547 TIMING: 170200 CPU: 535.731, 0.00318455/step Wall: 535.731, 0.00318455/step, 4.27243 hours remaining, 234.988281 MB of memory in use. ENERGY: 170200 3915.2035 20515.9768 14578.1125 262.2543 -202918.2503 2506.3665 0.0000 0.0000 51943.1074 -109197.2293 298.5178 -161140.3367 -108834.7941 299.3843 -178.1441 -143.4726 762188.7953 0.5263 0.3763 PRESSURE: 170400 -51.7187 124.884 -340.313 124.884 -547.68 126.398 -340.313 126.397 -34.0274 GPRESSURE: 170400 -158.321 7.63837 -382.892 110.788 -363.603 153.063 -270.478 172.722 -17.5717 PRESSAVG: 170400 -51.1008 -24.7658 -10.5349 -24.7659 38.3435 43.2402 -10.5349 43.2402 -14.8458 GPRESSAVG: 170400 -50.6692 -25.5074 -10.8425 -24.0677 38.3757 43.7201 -9.29644 44.1426 -14.7281 TIMING: 170400 CPU: 536.361, 0.00314785/step Wall: 536.361, 0.00314785/step, 4.22302 hours remaining, 234.988281 MB of memory in use. ENERGY: 170400 4024.3167 20517.9242 14406.0011 248.3383 -203064.9029 2614.0123 0.0000 0.0000 51989.0736 -109265.2366 298.7819 -161254.3103 -108914.8930 299.4072 -211.1420 -179.8320 763217.0582 -9.2010 -9.0072 PRESSURE: 170600 45.2869 -22.7491 2.44497 -22.7498 94.5414 3.82248 2.44472 3.82278 177.628 GPRESSURE: 170600 63.8808 13.5258 -0.467519 14.7249 78.8817 -29.6998 25.7896 21.4999 249.559 PRESSAVG: 170600 -75.2153 -13.009 33.871 -13.009 55.6643 36.2918 33.871 36.2919 2.56645 GPRESSAVG: 170600 -75.8711 -13.0686 32.2398 -14.6586 55.0541 37.2505 35.3614 37.8822 3.24116 TIMING: 170600 CPU: 536.992, 0.0031532/step Wall: 536.992, 0.0031532/step, 4.23001 hours remaining, 234.988281 MB of memory in use. ENERGY: 170600 3966.1822 20270.5305 14364.3759 248.7636 -203216.8357 2738.1816 0.0000 0.0000 52196.9198 -109431.8821 299.9764 -161628.8019 -109067.0463 298.7934 105.8189 130.7738 763211.3319 -5.6615 -5.8586 PRESSURE: 170800 -245.225 41.7337 -39.434 41.7341 184.453 -139.023 -39.4335 -139.024 -67.4459 GPRESSURE: 170800 -271.951 -0.367068 -21.6506 97.0044 202.659 -70.8388 -230.572 -143.22 7.93845 PRESSAVG: 170800 -106.387 12.064 -0.607249 12.064 93.0851 -29.7122 -0.607271 -29.7122 -11.6876 GPRESSAVG: 170800 -107.289 12.3089 0.414153 12.1654 93.7415 -30.9814 -2.74902 -30.1067 -11.1472 TIMING: 170800 CPU: 537.623, 0.00315586/step Wall: 537.623, 0.00315586/step, 4.23342 hours remaining, 234.988281 MB of memory in use. ENERGY: 170800 3979.5104 20542.8459 14397.9388 241.9626 -202872.4902 2555.1581 0.0000 0.0000 51958.8487 -109196.2257 298.6082 -161155.0744 -108829.1861 298.9808 -42.7393 -20.4513 763818.1072 -8.3298 -8.2317 PRESSURE: 171000 -239.113 -203.213 218.345 -203.213 269.211 254.779 218.344 254.779 487.528 GPRESSURE: 171000 -15.4291 -94.737 170.68 -169.674 231.176 199.951 265.893 158.769 374.913 PRESSAVG: 171000 -60.8524 -8.01206 -6.42157 -8.01205 56.5856 -27.9523 -6.42156 -27.9523 21.1823 GPRESSAVG: 171000 -58.7829 -8.04947 -8.62618 -7.33362 57.3445 -28.6405 -5.6372 -28.5978 18.8945 TIMING: 171000 CPU: 538.256, 0.00316641/step Wall: 538.256, 0.00316641/step, 4.24738 hours remaining, 234.988281 MB of memory in use. ENERGY: 171000 4005.9118 20607.2086 14417.9071 250.9544 -202824.0635 2480.6798 0.0000 0.0000 52050.6468 -109010.7549 299.1358 -161061.4016 -108655.1066 299.3325 172.5419 196.8866 763289.0112 5.6385 5.8187 PRESSURE: 171200 -303.778 -7.05412 83.626 -7.0545 -237.525 49.6849 83.625 49.6849 228.871 GPRESSURE: 171200 -290.547 -96.4832 109.574 76.8297 -80.4545 71.0643 42.7098 49.2695 147.434 PRESSAVG: 171200 13.1722 19.7926 77.8695 19.7926 14.8546 0.0144942 77.8695 0.0144121 -18.0336 GPRESSAVG: 171200 11.2478 20.8289 78.5564 19.2422 16.3005 0.0167365 78.4793 1.18346 -17.0598 TIMING: 171200 CPU: 538.889, 0.00316291/step Wall: 538.889, 0.00316291/step, 4.24252 hours remaining, 234.988281 MB of memory in use. ENERGY: 171200 4023.9678 20569.8182 14541.8267 234.3935 -203064.9502 2650.9147 0.0000 0.0000 51925.8105 -109118.2188 298.4183 -161044.0293 -108760.4075 299.2662 -104.1438 -74.5224 764333.4129 3.3311 3.4962 PRESSURE: 171400 420.102 21.9668 171.352 21.9681 -182.339 -63.0021 171.351 -63.0026 -111.143 GPRESSURE: 171400 359.299 33.0414 125.019 -60.8448 -91.8081 -38.4834 152.6 60.0528 -37.7613 PRESSAVG: 171400 42.6554 -12.9111 47.3123 -12.9111 -42.9557 -1.15449 47.3123 -1.15443 1.57493 GPRESSAVG: 171400 43.3221 -12.2872 47.0315 -13.922 -44.1845 -0.0935184 45.9629 0.937703 2.4222 TIMING: 171400 CPU: 539.52, 0.00315852/step Wall: 539.52, 0.00315852/step, 4.23645 hours remaining, 234.988281 MB of memory in use. ENERGY: 171400 3942.4042 20492.6463 14504.6011 250.4610 -203200.0043 2530.6121 0.0000 0.0000 52101.2414 -109378.0383 299.4266 -161479.2796 -109017.2695 299.2854 42.2069 76.5765 763559.9262 0.4249 0.5199 PRESSURE: 171600 73.6888 124.571 224.305 124.571 -19.7642 14.091 224.306 14.0915 -149.238 GPRESSURE: 171600 122.55 145.557 169.634 77.0153 1.96754 85.6525 222.721 -71.1665 -106.01 PRESSAVG: 171600 -2.31666 58.6582 45.8075 58.6582 20.4062 17.2585 45.8075 17.2584 -10.0509 GPRESSAVG: 171600 -1.38758 58.1071 46.9542 60.2428 20.4508 17.6254 46.0026 14.6224 -10.6546 TIMING: 171600 CPU: 540.16, 0.00319656/step Wall: 540.16, 0.00319656/step, 4.28729 hours remaining, 234.988281 MB of memory in use. ENERGY: 171600 3945.9532 20573.1527 14514.2488 245.8021 -202788.2962 2291.1081 0.0000 0.0000 52140.0081 -109078.0232 299.6493 -161218.0312 -108716.7107 299.4336 -31.7712 6.1692 762165.7708 2.6795 2.8029 PRESSURE: 171800 -206.046 -140.187 -47.3209 -140.187 -196.252 200.897 -47.3196 200.896 -84.5054 GPRESSURE: 171800 -140.284 -53.6732 -140.36 -224.165 -125.221 270.205 20.6537 116.744 -144.552 PRESSAVG: 171800 -63.0964 -2.73112 7.40533 -2.73111 35.5531 -26.3151 7.40532 -26.3151 -1.72871 GPRESSAVG: 171800 -62.2467 -2.19994 4.66189 -3.37357 35.6702 -27.864 9.17288 -27.5658 -2.75538 TIMING: 171800 CPU: 540.798, 0.00319173/step Wall: 540.798, 0.00319173/step, 4.28064 hours remaining, 234.988281 MB of memory in use. ENERGY: 171800 3894.8003 20506.3183 14542.1292 239.8960 -203120.9680 2549.9631 0.0000 0.0000 52253.1314 -109134.7298 300.2995 -161387.8612 -108767.0318 299.6941 -162.2675 -136.6853 763317.1398 -9.7573 -9.7773 PRESSURE: 172000 154.29 166.605 -8.01583 166.605 175.821 90.874 -8.01619 90.8751 -21.4734 GPRESSURE: 172000 157.822 285.857 -57.4778 293.29 189.943 40.9104 -65.0937 103.512 49.7376 PRESSAVG: 172000 -8.6762 0.234896 -51.2758 0.23487 12.6181 7.78799 -51.2758 7.78797 11.4034 GPRESSAVG: 172000 -9.93137 0.25775 -49.133 -1.1369 12.728 8.93055 -52.9384 8.69324 12.7571 TIMING: 172000 CPU: 541.434, 0.00317845/step Wall: 541.434, 0.00317845/step, 4.26265 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 172000 4056.9437 20447.2595 14534.6683 233.4965 -203280.4931 2590.0612 0.0000 0.0000 52127.5175 -109290.5465 299.5776 -161418.0640 -108930.9830 299.3929 102.8790 132.5011 761570.5716 5.1151 5.1846 PRESSURE: 172200 -69.8588 -101.611 33.8015 -101.611 302.262 -6.87851 33.8019 -6.87952 -8.14517 GPRESSURE: 172200 -10.3433 -85.0235 24.4082 -55.7179 291.366 -59.2445 64.2346 111.33 34.9756 PRESSAVG: 172200 -1.78791 -21.3238 -56.0508 -21.3238 6.20975 16.9608 -56.0507 16.9608 10.7745 GPRESSAVG: 172200 -0.552619 -23.9159 -54.6492 -19.445 5.15365 16.9783 -55.4282 15.6657 11.1079 TIMING: 172200 CPU: 542.073, 0.00319922/step Wall: 542.073, 0.00319922/step, 4.29033 hours remaining, 234.988281 MB of memory in use. ENERGY: 172200 3939.2286 20410.2601 14474.6270 260.5486 -203206.6921 2809.6979 0.0000 0.0000 51796.7805 -109515.5495 297.6768 -161312.3300 -109156.4046 298.7366 74.7527 105.3329 763600.2688 5.0654 5.2363 LDB: ============= START OF LOAD BALANCING ============== 554.531 LDB: ============== END OF LOAD BALANCING =============== 554.531 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 554.533 LDB: ============= START OF LOAD BALANCING ============== 554.853 LDB: Largest compute 7060 load 0.035945 is 18.5% of average load 0.194737 LDB: Average compute 0.004397 is 2.3% of average load 0.194737 LDB: TIME 554.856 LOAD: AVG 0.194737 MAX 0.211175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.297 MB LDB: TIME 554.856 LOAD: AVG 0.194737 MAX 0.211175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.5 MB LDB: TIME 554.856 LOAD: AVG 0.194737 MAX 0.211175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.5 MB LDB: ============== END OF LOAD BALANCING =============== 554.858 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 554.863 PRESSURE: 172400 -139.318 -135.183 -145.055 -135.183 354.031 24.6906 -145.054 24.6905 46.1164 GPRESSURE: 172400 -94.0068 -217.226 -159.199 -149.807 310.077 5.57235 -66.0488 110.329 127.822 PRESSAVG: 172400 -1.69285 0.00700064 1.55236 0.00694617 18.6537 -1.24005 1.55238 -1.24004 0.942965 GPRESSAVG: 172400 -1.7235 0.58241 0.729629 -0.325404 19.5578 -0.145147 3.89642 -1.24425 -0.138199 TIMING: 172400 CPU: 542.727, 0.00326809/step Wall: 542.727, 0.00326809/step, 4.3825 hours remaining, 236.125000 MB of memory in use. ENERGY: 172400 3985.5748 20453.7740 14498.0047 250.7390 -203540.8639 2743.2639 0.0000 0.0000 52100.1326 -109509.3749 299.4202 -161609.5075 -109149.6897 298.9781 86.9434 114.6307 763071.9954 5.9680 5.8987 PRESSURE: 172600 -69.2571 -282.899 -262.354 -282.899 354.76 -36.0716 -262.354 -36.0734 -25.0121 GPRESSURE: 172600 28.4212 -219.074 -226.095 -134.383 388.683 11.1371 -252.676 -50.7646 -64.3056 PRESSAVG: 172600 -51.0354 -62.6911 -14.7685 -62.691 77.4281 -3.92967 -14.7686 -3.92959 26.1591 GPRESSAVG: 172600 -51.4758 -61.1403 -15.1683 -64.553 77.5738 -6.00968 -17.2428 -1.6836 26.0031 TIMING: 172600 CPU: 543.366, 0.00319597/step Wall: 543.366, 0.00319597/step, 4.28562 hours remaining, 236.125000 MB of memory in use. ENERGY: 172600 3955.2683 20558.7092 14464.3504 234.3843 -202956.4284 2549.1352 0.0000 0.0000 51782.1127 -109412.4682 297.5925 -161194.5809 -109046.0469 299.0410 86.8303 117.5996 762211.5968 17.5173 17.3670 PRESSURE: 172800 -169.657 -242.791 -20.4831 -242.792 -6.46196 -173.798 -20.4832 -173.797 100.384 GPRESSURE: 172800 -117.732 -257.637 -13.6419 -250.139 67.0896 -9.98399 80.5236 -226.958 64.0208 PRESSAVG: 172800 -69.4254 -50.2912 1.31668 -50.2913 69.473 11.9831 1.31666 11.9831 -2.07838 GPRESSAVG: 172800 -70.3093 -48.4908 3.20732 -49.5444 68.8395 13.9011 0.746644 11.222 -0.80637 TIMING: 172800 CPU: 544.003, 0.00318375/step Wall: 544.003, 0.00318375/step, 4.26906 hours remaining, 236.125000 MB of memory in use. ENERGY: 172800 4014.4508 20539.0047 14484.7257 260.5920 -203364.3016 2674.0515 0.0000 0.0000 52069.0882 -109322.3888 299.2418 -161391.4770 -108959.7970 299.1957 -25.2450 4.4595 762761.2195 -0.6769 -0.7587 PRESSURE: 173000 -373.089 237.521 96.2193 237.521 -403.367 -66.5773 96.219 -66.5778 -77.04 GPRESSURE: 173000 -323.796 264.003 61.0903 220.559 -337.931 -56.1912 173.341 -104.283 -120.018 PRESSAVG: 173000 -11.8618 -45.2716 23.3643 -45.2715 -3.57252 -15.7955 23.3643 -15.7955 -8.5248 GPRESSAVG: 173000 -10.9605 -46.9727 21.8346 -44.1834 -3.33147 -15.0647 24.5326 -17.8422 -10.0923 TIMING: 173000 CPU: 544.634, 0.00315314/step Wall: 544.634, 0.00315314/step, 4.22784 hours remaining, 236.125000 MB of memory in use. ENERGY: 173000 4006.5342 20462.8351 14493.3093 253.6503 -203049.9143 2283.6597 0.0000 0.0000 52248.0284 -109301.8973 300.2701 -161549.9257 -108934.3424 299.5592 -284.4987 -260.5816 764332.6786 -7.9864 -8.1281 PRESSURE: 173200 -363.41 42.4825 139.155 42.4826 66.4135 -68.1476 139.155 -68.1472 -175.387 GPRESSURE: 173200 -364.796 35.1391 63.5735 -43.5965 138.708 -38.0399 279.189 -23.0644 -147.235 PRESSAVG: 173200 -22.4625 -56.0638 19.6721 -56.0638 9.50046 -9.95168 19.6721 -9.95159 10.7627 GPRESSAVG: 173200 -24.9711 -56.7609 18.8676 -59.0109 9.82752 -11.3216 19.4015 -9.35172 12.615 TIMING: 173200 CPU: 545.263, 0.00314589/step Wall: 545.263, 0.00314589/step, 4.21794 hours remaining, 236.125000 MB of memory in use. ENERGY: 173200 4046.9522 20478.2653 14407.2835 235.1587 -203082.4080 2539.3040 0.0000 0.0000 52320.5040 -109054.9403 300.6867 -161375.4443 -108681.3588 300.0689 -157.4609 -124.4408 764030.0806 -0.7331 -0.8429 PRESSURE: 173400 -197.206 -24.3115 -62.2664 -24.3119 -90.4818 -114.434 -62.2666 -114.434 -339.45 GPRESSURE: 173400 -166.538 -10.087 -10.2448 24.4568 14.3659 -161.362 -170.447 -44.0068 -406.257 PRESSAVG: 173400 -33.5878 -28.7982 6.40617 -28.7983 -0.356699 17.3068 6.40613 17.3068 3.0039 GPRESSAVG: 173400 -32.132 -27.2905 8.24726 -27.1981 -0.293086 16.9558 4.76402 18.3741 1.99321 TIMING: 173400 CPU: 545.89, 0.0031378/step Wall: 545.89, 0.0031378/step, 4.20692 hours remaining, 236.125000 MB of memory in use. ENERGY: 173400 4079.1675 20648.5520 14399.9910 249.4442 -203699.3601 2856.0051 0.0000 0.0000 52358.1460 -109108.0544 300.9030 -161466.2004 -108750.9415 299.5416 -209.0460 -186.1430 762093.9248 -10.3135 -10.1440 PRESSURE: 173600 -426.459 47.9515 66.6679 47.9516 130.186 260.676 66.6691 260.677 254.118 GPRESSURE: 173600 -347.152 -8.96684 -0.262256 157.599 111.882 243.663 125.726 254.507 291.884 PRESSAVG: 173600 -27.3317 -37.5517 -15.6809 -37.5518 3.76109 23.5401 -15.6808 23.5401 21.9609 GPRESSAVG: 173600 -26.8151 -39.7741 -17.5461 -35.7407 2.71216 23.7402 -15.4493 23.7108 22.1925 TIMING: 173600 CPU: 546.522, 0.00315982/step Wall: 546.522, 0.00315982/step, 4.23627 hours remaining, 236.125000 MB of memory in use. ENERGY: 173600 3979.5458 20435.0958 14449.2637 246.9356 -203061.1702 2572.3690 0.0000 0.0000 52384.2865 -108993.6739 301.0532 -161377.9605 -108633.2235 300.6629 -14.0513 18.8715 763797.6243 -0.5365 -0.6368 PRESSURE: 173800 357.788 -106.265 -130.955 -106.265 136.107 204.959 -130.955 204.958 24.8609 GPRESSURE: 173800 448.454 -44.6013 -134.456 -8.47261 122.628 174.399 -42.0189 252.623 11.7925 PRESSAVG: 173800 -21.6699 -63.7976 -26.3714 -63.7976 41.981 50.2593 -26.3715 50.2593 8.17179 GPRESSAVG: 173800 -22.6474 -60.9495 -25.389 -65.33 41.4601 50.0965 -25.9722 50.7332 8.74342 TIMING: 173800 CPU: 547.156, 0.00316746/step Wall: 547.156, 0.00316746/step, 4.24633 hours remaining, 236.125000 MB of memory in use. ENERGY: 173800 3911.6757 20370.1314 14452.3812 275.7575 -203346.1654 2864.7427 0.0000 0.0000 52195.9058 -109275.5710 299.9706 -161471.4769 -108906.5392 299.4350 172.9187 194.2917 762566.9071 9.4943 9.1854 PRESSURE: 174000 36.6501 -94.7269 167.902 -94.7267 105.595 -131.849 167.902 -131.848 -225.29 GPRESSURE: 174000 -4.4908 -55.4065 187.526 -36.134 180.509 -200.558 78.7184 -93.72 -187.787 PRESSAVG: 174000 27.931 -26.7884 -39.393 -26.7884 -17.0153 39.1387 -39.393 39.1387 13.6516 GPRESSAVG: 174000 28.794 -29.3332 -37.7682 -27.8181 -16.0707 38.4652 -38.9603 39.1253 12.2839 TIMING: 174000 CPU: 547.788, 0.00316268/step Wall: 547.788, 0.00316268/step, 4.23975 hours remaining, 236.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 174000 3998.1898 20531.9501 14590.0737 254.8196 -203663.8960 2913.6403 0.0000 0.0000 51864.7726 -109510.4499 298.0676 -161375.2226 -109157.6840 298.9931 -27.6817 -3.9227 762602.1564 8.1891 8.3357 PRESSURE: 174200 -112.638 -342.039 -328.59 -342.039 -201.278 -168.348 -328.589 -168.349 372.373 GPRESSURE: 174200 -21.7692 -308.212 -303.573 -192.874 -214.918 -174.506 -279.417 -162.362 370.998 PRESSAVG: 174200 -4.21085 -80.6778 13.9157 -80.6778 -18.7466 21.5678 13.9157 21.5678 -17.304 GPRESSAVG: 174200 -5.76512 -80.6794 12.6772 -79.5106 -18.796 23.6389 14.4674 21.6999 -16.1542 TIMING: 174200 CPU: 548.418, 0.00314676/step Wall: 548.418, 0.00314676/step, 4.21824 hours remaining, 236.125000 MB of memory in use. ENERGY: 174200 3940.6534 20535.5857 14422.5680 274.4507 -203520.4057 2669.7836 0.0000 0.0000 52183.6105 -109493.7537 299.8999 -161677.3643 -109124.3743 299.0400 19.4859 44.7704 763280.1112 -13.4205 -13.5718 PRESSURE: 174400 116.799 -133.072 -75.707 -133.072 -179.142 -122.72 -75.7061 -122.721 -26.8321 GPRESSURE: 174400 136.156 -199.825 -64.2276 -49.5888 -140.193 -78.4128 43.6378 -103.724 8.48718 PRESSAVG: 174400 48.1063 -79.2499 -41.1934 -79.2499 -22.407 -25.2837 -41.1934 -25.2836 6.17743 GPRESSAVG: 174400 49.3141 -79.8022 -40.4403 -76.6933 -24.0173 -27.3719 -42.4974 -25.7786 6.79298 TIMING: 174400 CPU: 549.044, 0.00313157/step Wall: 549.044, 0.00313157/step, 4.19769 hours remaining, 236.125000 MB of memory in use. ENERGY: 174400 3997.4362 20482.7056 14531.7625 263.4681 -204024.4916 2995.8429 0.0000 0.0000 51930.6699 -109822.6065 298.4463 -161753.2764 -109457.7020 298.8705 -29.7252 1.4834 761773.3799 10.6256 10.6966 PRESSURE: 174600 355.969 65.9965 209.947 65.997 89.0986 95.115 209.946 95.115 -93.0077 GPRESSURE: 174600 381.385 -79.5195 213.378 -55.865 132.626 171.017 81.8548 28.202 -100.357 PRESSAVG: 174600 36.8342 -39.4738 3.58014 -39.4738 -39.4069 26.6517 3.58011 26.6516 -20.6979 GPRESSAVG: 174600 35.9438 -40.5108 0.935865 -42.7831 -38.1432 27.8639 2.93084 25.4171 -20.9021 TIMING: 174600 CPU: 549.673, 0.00314247/step Wall: 549.673, 0.00314247/step, 4.21214 hours remaining, 236.125000 MB of memory in use. ENERGY: 174600 4069.1191 20447.8463 14553.3897 231.4694 -203689.3584 2770.1228 0.0000 0.0000 51865.4859 -109751.9252 298.0717 -161617.4111 -109394.1479 298.4342 117.3533 137.8847 761657.1027 -7.7569 -7.7005 PRESSURE: 174800 159.436 -100.997 -246.315 -100.996 -362.766 -155.774 -246.316 -155.773 -80.7729 GPRESSURE: 174800 189.297 -19.2908 -322.633 -136.41 -189.884 -247.913 11.6306 -20.637 -187.594 PRESSAVG: 174800 42.2285 -56.1229 -31.6364 -56.1229 -12.9481 60.2309 -31.6364 60.231 18.1822 GPRESSAVG: 174800 43.7304 -55.3 -30.2166 -53.6001 -13.3985 59.0283 -30.4764 63.274 17.0857 TIMING: 174800 CPU: 550.303, 0.00315127/step Wall: 550.303, 0.00315127/step, 4.22375 hours remaining, 236.125000 MB of memory in use. ENERGY: 174800 4083.0570 20433.1051 14433.6292 245.0815 -203388.2203 2604.3158 0.0000 0.0000 51898.0031 -109691.0284 298.2585 -161589.0316 -109329.5603 298.4400 -94.7011 -62.7270 762646.1316 15.8209 15.8059 PRESSURE: 175000 284.856 -137.075 -205.926 -137.075 77.9728 38.5541 -205.927 38.5547 137.066 GPRESSURE: 175000 390.361 -46.9729 -176.896 -113.993 41.811 75.2477 -26.4439 -35.9988 115.149 PRESSAVG: 175000 33.4367 -94.5534 -78.8782 -94.5533 -24.1491 28.2963 -78.8783 28.2964 0.854031 GPRESSAVG: 175000 32.8382 -93.4765 -78.1775 -94.4281 -25.3312 29.3652 -78.9338 27.0991 2.35217 TIMING: 175000 CPU: 550.935, 0.00316214/step Wall: 550.935, 0.00316214/step, 4.23815 hours remaining, 236.125000 MB of memory in use. ENERGY: 175000 3973.3931 20552.8634 14466.3577 259.3296 -203673.6972 2818.5943 0.0000 0.0000 52025.6972 -109577.4620 298.9924 -161603.1592 -109211.3019 298.6914 166.6317 182.4402 762103.4996 3.3805 3.2864 PRESSURE: 175200 -295.602 39.4574 -40.9736 39.4565 -291.882 -195.006 -40.9737 -195.006 -190.682 GPRESSURE: 175200 -317.053 38.7769 -7.99265 -9.54753 -238.003 -102.36 -96.5172 -392.981 -153.992 PRESSAVG: 175200 38.8314 -10.2207 12.5561 -10.2207 -27.483 23.6248 12.5561 23.6248 -3.75498 GPRESSAVG: 175200 37.9798 -10.119 10.1699 -10.3195 -26.8283 23.615 14.0012 22.3557 -3.64693 TIMING: 175200 CPU: 551.565, 0.00314632/step Wall: 551.565, 0.00314632/step, 4.21677 hours remaining, 236.125000 MB of memory in use. ENERGY: 175200 3949.9937 20690.1106 14508.0980 238.8545 -203083.8071 2536.3105 0.0000 0.0000 51811.4223 -109349.0176 297.7610 -161160.4399 -108993.5995 298.3844 -259.3885 -236.3494 764380.1081 2.5311 2.5015 PRESSURE: 175400 -284.821 -164.214 310.364 -164.214 -201.24 -229.4 310.365 -229.4 224.376 GPRESSURE: 175400 -240.366 -153.832 220.812 -182.019 -211.593 -157.047 207.519 -160.472 270.426 PRESSAVG: 175400 -55.8495 -14.8802 -4.83336 -14.8801 20.7248 -12.2694 -4.83336 -12.2695 -5.5747 GPRESSAVG: 175400 -56.4702 -14.806 -4.08199 -14.5871 21.1912 -12.0593 -8.62873 -11.3906 -5.65973 TIMING: 175400 CPU: 552.194, 0.00314544/step Wall: 552.194, 0.00314544/step, 4.21541 hours remaining, 236.125000 MB of memory in use. ENERGY: 175400 3962.1203 20544.5733 14480.7084 242.7731 -203381.7780 2649.3621 0.0000 0.0000 52118.4207 -109383.8200 299.5253 -161502.2407 -109013.0871 299.4376 -87.2281 -60.5109 764506.3136 -13.5665 -13.6463 PRESSURE: 175600 -229.536 21.6755 4.70438 21.6753 34.686 126.061 4.70457 126.061 430.945 GPRESSURE: 175600 -135.897 14.8224 68.3427 33.2668 104.094 125.889 50.1317 235.311 305.346 PRESSAVG: 175600 -69.5944 14.0895 1.89694 14.0895 73.6367 15.4662 1.89691 15.4661 -6.62111 GPRESSAVG: 175600 -68.311 11.9095 3.24992 13.956 73.3586 16.8555 3.65682 13.9865 -7.4533 TIMING: 175600 CPU: 552.825, 0.00315806/step Wall: 552.825, 0.00315806/step, 4.23215 hours remaining, 236.125000 MB of memory in use. ENERGY: 175600 3970.7304 20604.0200 14490.1671 248.0595 -203088.2806 2299.0158 0.0000 0.0000 51896.7271 -109579.5607 298.2512 -161476.2878 -109219.7329 298.6847 78.6983 91.1806 764744.3415 -0.8596 -0.8019 PRESSURE: 175800 -128.25 85.9906 115.397 85.9913 -219.907 -26.592 115.397 -26.5927 213.508 GPRESSURE: 175800 2.59398 59.335 119.131 31.9671 -226.626 15.264 74.9884 91.878 178.038 PRESSAVG: 175800 -14.5117 4.37079 1.59923 4.37081 -0.249914 29.0104 1.59923 29.0103 -17.8543 GPRESSAVG: 175800 -15.4194 4.98521 0.169852 3.94518 -0.717675 29.076 1.47663 30.8976 -16.5244 TIMING: 175800 CPU: 553.458, 0.00316386/step Wall: 553.458, 0.00316386/step, 4.23975 hours remaining, 236.125000 MB of memory in use. ENERGY: 175800 3918.9428 20623.5670 14487.8565 257.8367 -203323.4030 2515.8843 0.0000 0.0000 52060.6628 -109458.6531 299.1933 -161519.3158 -109093.3268 298.9887 -44.8829 -15.3313 763641.1788 -10.8720 -10.8872 PRESSURE: 176000 -148.657 98.623 -108.769 98.6234 -197.053 -7.57276 -108.77 -7.57395 -83.61 GPRESSURE: 176000 -102.429 105.954 -36.9888 119.008 -113.443 130.189 -298.429 -76.623 -118.202 PRESSAVG: 176000 20.5884 -27.2842 -36.9056 -27.2842 4.96293 49.3353 -36.9055 49.3353 10.6951 GPRESSAVG: 176000 20.6975 -26.8069 -34.8534 -25.7224 5.93405 49.1894 -38.9797 50.1882 9.92405 TIMING: 176000 CPU: 554.09, 0.00315845/step Wall: 554.09, 0.00315845/step, 4.23233 hours remaining, 236.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 176000 4042.8280 20506.1617 14418.5913 249.1269 -203540.8531 2785.1740 0.0000 0.0000 52212.9621 -109326.0092 300.0686 -161538.9713 -108964.0010 299.1841 -143.1067 -111.3577 762860.0612 12.0821 12.1852 PRESSURE: 176200 -518.639 -27.6638 -57.8128 -27.6639 -66.3333 -52.4688 -57.8127 -52.4686 -24.3386 GPRESSURE: 176200 -495.889 -14.1247 -90.3293 -107.507 30.3754 -54.8403 -139.106 -85.9778 -42.7623 PRESSAVG: 176200 -100.118 -29.2524 -8.55739 -29.2524 68.8997 33.162 -8.5574 33.162 -10.4822 GPRESSAVG: 176200 -99.5501 -27.3052 -10.8179 -31.5839 68.2704 33.2817 -6.62768 31.7103 -10.2852 TIMING: 176200 CPU: 554.719, 0.00314695/step Wall: 554.719, 0.00314695/step, 4.21674 hours remaining, 236.125000 MB of memory in use. ENERGY: 176200 4011.1606 20583.0946 14385.2090 251.7473 -203074.5565 2571.0137 0.0000 0.0000 51943.4544 -109328.8768 298.5197 -161272.3312 -108963.2737 299.0313 -203.1035 -169.4252 765807.8462 -13.9002 -13.8550 LDB: ============= START OF LOAD BALANCING ============== 567.17 LDB: ============== END OF LOAD BALANCING =============== 567.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 567.172 LDB: ============= START OF LOAD BALANCING ============== 567.486 LDB: Largest compute 7076 load 0.035834 is 18.4% of average load 0.194848 LDB: Average compute 0.004374 is 2.2% of average load 0.194848 LDB: TIME 567.49 LOAD: AVG 0.194848 MAX 0.212146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.16 MB LDB: TIME 567.49 LOAD: AVG 0.194848 MAX 0.212146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: TIME 567.49 LOAD: AVG 0.194848 MAX 0.212146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: ============== END OF LOAD BALANCING =============== 567.492 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 567.497 PRESSURE: 176400 146.361 -47.1328 -38.8852 -47.132 30.7733 88.266 -38.8854 88.2661 -61.5177 GPRESSURE: 176400 184.131 -128.731 22.5977 -54.9801 24.3652 57.4945 -8.81897 8.03465 -12.2289 PRESSAVG: 176400 -48.3205 -44.1091 10.6809 -44.1091 24.729 -14.772 10.6809 -14.772 24.5481 GPRESSAVG: 176400 -47.9174 -46.2485 10.6417 -42.2393 24.311 -16.2364 9.80382 -14.1842 24.7311 TIMING: 176400 CPU: 555.361, 0.0032116/step Wall: 555.361, 0.0032116/step, 4.30318 hours remaining, 234.539062 MB of memory in use. ENERGY: 176400 3977.8871 20594.5576 14449.8665 251.3241 -203084.8174 2535.7698 0.0000 0.0000 52115.4868 -109159.9255 299.5084 -161275.4123 -108790.1936 299.2084 38.5390 65.4224 764372.9002 0.3189 0.3749 PRESSURE: 176600 281.447 -58.0875 14.3331 -58.0884 123.244 -209.607 14.3343 -209.607 340 GPRESSURE: 176600 277.68 -116.703 5.11353 -7.79078 215.311 -207.249 -76.0825 -144.503 322.196 PRESSAVG: 176600 -23.0888 -11.6924 4.32444 -11.6924 3.69861 -22.7274 4.3245 -22.7273 -3.96396 GPRESSAVG: 176600 -23.8761 -11.9928 6.37686 -12.8399 4.2346 -23.0609 5.60678 -23.2103 -4.32745 TIMING: 176600 CPU: 555.992, 0.00315176/step Wall: 555.992, 0.00315176/step, 4.22284 hours remaining, 234.539062 MB of memory in use. ENERGY: 176600 3936.4345 20497.1408 14494.0621 250.5825 -203717.3213 3065.8594 0.0000 0.0000 52308.6713 -109164.5707 300.6187 -161473.2420 -108796.9301 300.1671 248.2303 271.7291 762822.0669 -7.7847 -7.9896 PRESSURE: 176800 68.3338 -146.921 -4.86482 -146.92 34.0762 20.7063 -4.86507 20.7065 103.826 GPRESSURE: 176800 117.057 -47.3487 -31.8942 -196.626 57.9178 40.5389 -45.8966 -115.741 106.735 PRESSAVG: 176800 19.9252 -4.46916 -2.75392 -4.46914 13.768 -9.90456 -2.75391 -9.9046 -8.9376 GPRESSAVG: 176800 20.2123 -3.48225 -3.15375 -6.86631 13.0398 -9.21998 -3.88734 -11.6624 -8.26287 TIMING: 176800 CPU: 556.623, 0.00315562/step Wall: 556.623, 0.00315562/step, 4.22783 hours remaining, 234.539062 MB of memory in use. ENERGY: 176800 4065.8471 20651.9299 14469.1922 253.2411 -204016.8259 3278.9684 0.0000 0.0000 52201.2194 -109096.4278 300.0011 -161297.6472 -108732.4552 299.6847 68.7452 93.9031 763831.6839 8.2519 8.3297 PRESSURE: 177000 -368.032 -3.04102 300.136 -3.0417 -63.1395 69.8915 300.135 69.8914 -289.772 GPRESSURE: 177000 -270.987 9.82593 252.559 25.0227 -124.035 -8.45143 262.467 72.1657 -252.495 PRESSAVG: 177000 -37.0609 -60.9101 79.0959 -60.91 70.8001 37.874 79.0959 37.8739 10.0195 GPRESSAVG: 177000 -37.7947 -58.955 78.281 -58.992 71.6408 38.6947 79.3236 38.5179 9.56532 TIMING: 177000 CPU: 557.254, 0.00315682/step Wall: 557.254, 0.00315682/step, 4.22927 hours remaining, 234.539062 MB of memory in use. ENERGY: 177000 4062.8634 20712.8815 14433.8492 266.4295 -202746.7370 2313.4237 0.0000 0.0000 51868.8717 -109088.4181 298.0911 -160957.2898 -108740.6336 299.8499 -240.3144 -215.8391 766089.5837 14.5862 14.4705 PRESSURE: 177200 -141.955 81.4009 -58.3167 81.4008 -63.8515 78.79 -58.3161 78.7896 174.389 GPRESSURE: 177200 -110.775 89.9784 -36.2409 86.949 31.1692 3.07945 -106.27 79.5314 127.614 PRESSAVG: 177200 -16.9027 -78.5741 -13.3671 -78.5741 39.4721 -14.2397 -13.367 -14.2397 -42.3271 GPRESSAVG: 177200 -16.4608 -79.2726 -13.7113 -77.1582 38.7953 -14.5818 -10.5137 -12.8786 -41.6722 TIMING: 177200 CPU: 557.884, 0.00314637/step Wall: 557.884, 0.00314637/step, 4.21509 hours remaining, 234.539062 MB of memory in use. ENERGY: 177200 4009.7186 20402.6467 14551.8094 241.8670 -202776.5488 2479.2986 0.0000 0.0000 52173.8944 -108917.3142 299.8441 -161091.2086 -108552.8125 299.8303 -10.4724 16.0027 762505.7078 -6.5859 -6.4459 PRESSURE: 177400 -49.407 -215.682 -73.6743 -215.682 179.419 -10.6606 -73.6749 -10.6603 -57.0669 GPRESSURE: 177400 -53.916 -377.691 -105.246 -205.542 264.535 -65.9795 -6.52584 27.5561 -49.4225 PRESSAVG: 177400 -38.7472 -12.1039 41.7608 -12.104 43.832 -1.35673 41.7607 -1.35672 -21.9009 GPRESSAVG: 177400 -38.5316 -14.981 42.7277 -13.8353 44.4667 -3.61622 38.6679 1.40916 -23.1947 TIMING: 177400 CPU: 558.516, 0.00316023/step Wall: 558.516, 0.00316023/step, 4.23348 hours remaining, 234.539062 MB of memory in use. ENERGY: 177400 3990.2752 20569.1743 14445.0272 232.6059 -203255.9832 2806.0650 0.0000 0.0000 52314.0606 -108898.7750 300.6496 -161212.8355 -108524.1876 299.9233 24.3149 53.7322 763830.1367 -5.6054 -5.7532 PRESSURE: 177600 -159.598 -179.531 127.901 -179.53 -226.048 141.173 127.902 141.174 -65.92 GPRESSURE: 177600 -169.343 -121.248 126.245 -152.124 -133.916 173.358 181.088 68.0567 -74.4684 PRESSAVG: 177600 -43.0148 -60.7725 -21.5528 -60.7725 65.1371 31.649 -21.5529 31.649 13.9335 GPRESSAVG: 177600 -43.8917 -60.1238 -20.6242 -60.6048 65.6954 31.877 -21.6344 29.8527 13.6835 TIMING: 177600 CPU: 559.147, 0.00315943/step Wall: 559.147, 0.00315943/step, 4.23224 hours remaining, 234.539062 MB of memory in use. ENERGY: 177600 3947.0856 20388.7653 14497.5903 247.5473 -202721.3566 2303.9706 0.0000 0.0000 52386.7339 -108949.6636 301.0673 -161336.3975 -108568.1981 299.7466 -150.5220 -125.9092 762978.1857 12.0186 11.8291 PRESSURE: 177800 -245.346 -19.7938 36.7495 -19.7936 -66.2944 2.70995 36.7495 2.70974 39.8447 GPRESSURE: 177800 -173.177 -55.348 -87.5142 44.9051 -33.5287 -62.7369 113.235 -125.504 28.6306 PRESSAVG: 177800 -67.8791 1.38019 -23.0126 1.38029 80.5232 -19.1347 -23.0126 -19.1347 9.76737 GPRESSAVG: 177800 -66.2031 2.81379 -25.2246 3.344 78.6887 -19.0601 -21.4546 -19.121 9.366 TIMING: 177800 CPU: 559.774, 0.00313202/step Wall: 559.774, 0.00313202/step, 4.19534 hours remaining, 234.539062 MB of memory in use. ENERGY: 177800 4001.2813 20581.5233 14512.8885 246.9494 -203072.6769 2490.2369 0.0000 0.0000 52172.1352 -109067.6622 299.8340 -161239.7975 -108711.4808 299.9294 -90.5987 -59.3585 762256.0641 7.4705 7.2839 PRESSURE: 178000 55.8018 118.466 -188.497 118.465 -431.636 127.252 -188.498 127.251 285.267 GPRESSURE: 178000 62.6503 132.065 -248.509 -11.54 -348.59 89.5487 -24.1575 41.1678 283.296 PRESSAVG: 178000 -9.0628 -20.5183 -3.43449 -20.5184 5.87267 38.1853 -3.43446 38.1853 -19.0883 GPRESSAVG: 178000 -10.6638 -22.7234 -2.27183 -22.1958 7.55472 40.0755 -4.43099 34.792 -19.2293 TIMING: 178000 CPU: 560.404, 0.00315045/step Wall: 560.404, 0.00315045/step, 4.21985 hours remaining, 234.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 178000 4018.8290 20555.6003 14448.4956 242.2093 -203174.0235 2559.7804 0.0000 0.0000 52237.7847 -109111.3243 300.2113 -161349.1089 -108737.0276 299.2253 -30.1893 -0.8812 763464.2139 -7.4262 -7.4461 PRESSURE: 178200 40.8774 -68.4833 -250.359 -68.4833 -121.219 134.12 -250.359 134.119 -439.084 GPRESSURE: 178200 27.2117 -56.946 -271.561 -165.512 -84.9739 111.23 -204.462 187.545 -379.946 PRESSAVG: 178200 -14.1008 -65.2855 -29.8685 -65.2855 23.6322 -1.94422 -29.8685 -1.94421 -18.3791 GPRESSAVG: 178200 -14.3401 -63.5632 -30.9526 -64.2866 22.467 -3.42761 -29.4776 1.91969 -17.4437 TIMING: 178200 CPU: 561.036, 0.00316193/step Wall: 561.036, 0.00316193/step, 4.23505 hours remaining, 234.539062 MB of memory in use. ENERGY: 178200 3976.3356 20562.8452 14451.9881 235.6114 -203028.4067 2526.6705 0.0000 0.0000 52218.1089 -109056.8470 300.0982 -161274.9559 -108688.4785 299.4805 -173.1419 -145.9029 762582.5461 -2.9492 -3.1056 PRESSURE: 178400 -364.992 -161.226 -34.7475 -161.227 -379.897 -31.3515 -34.747 -31.351 -430.462 GPRESSURE: 178400 -311.48 -267.959 7.86154 -92.8842 -443.724 -13.5694 -13.8984 -5.66755 -336.136 PRESSAVG: 178400 0.971904 -26.7788 53.0001 -26.7788 29.9379 -17.1289 53.0001 -17.1288 11.2658 GPRESSAVG: 178400 1.1268 -26.4193 53.6317 -27.9946 29.2033 -16.9854 53.4127 -18.3489 11.8117 TIMING: 178400 CPU: 561.666, 0.00315033/step Wall: 561.666, 0.00315033/step, 4.21935 hours remaining, 234.539062 MB of memory in use. ENERGY: 178400 4026.7992 20536.1214 14450.0937 234.1997 -202875.0272 2435.7548 0.0000 0.0000 51953.3485 -109238.7098 298.5766 -161192.0583 -108870.4157 299.5957 -391.7838 -363.7802 763258.9723 14.0585 14.0473 PRESSURE: 178600 -251.183 213.215 -122.609 213.216 -9.00893 -106.16 -122.61 -106.16 95.848 GPRESSURE: 178600 -140.891 117.3 -170.966 192.701 -22.5905 -106.146 -193.803 -242.703 96.3315 PRESSAVG: 178600 -27.8067 -57.6478 -49.3757 -57.6478 -47.0635 24.2769 -49.3756 24.2769 24.1639 GPRESSAVG: 178600 -28.1229 -58.3939 -49.2338 -57.1256 -45.7028 25.1077 -51.0785 22.9344 23.1639 TIMING: 178600 CPU: 562.295, 0.0031454/step Wall: 562.295, 0.0031454/step, 4.21256 hours remaining, 234.539062 MB of memory in use. ENERGY: 178600 3985.3186 20525.0492 14397.4421 252.0487 -203178.6983 2572.1267 0.0000 0.0000 52303.5940 -109143.1190 300.5895 -161446.7130 -108777.8004 299.6108 -54.7814 -22.3835 760866.6665 -16.9021 -16.8872 PRESSURE: 178800 -60.749 -155.777 -216.052 -155.777 33.9216 185.321 -216.051 185.322 171.833 GPRESSURE: 178800 25.228 -58.3143 -176.385 -163.84 26.7453 168.534 -337.094 246.734 189.129 PRESSAVG: 178800 -79.6954 -56.3728 -5.14543 -56.3727 33.6345 41.4692 -5.14544 41.4692 2.37105 GPRESSAVG: 178800 -78.7722 -58.2881 -3.99203 -54.5669 33.751 41.1838 -6.75428 41.766 1.5096 TIMING: 178800 CPU: 562.925, 0.0031453/step Wall: 562.925, 0.0031453/step, 4.21226 hours remaining, 234.539062 MB of memory in use. ENERGY: 178800 4002.4678 20445.8724 14530.5066 239.1519 -203432.1268 2744.8238 0.0000 0.0000 52229.3110 -109239.9933 300.1626 -161469.3043 -108874.5957 300.0673 48.3351 80.3676 761941.3630 -14.5633 -14.5039 PRESSURE: 179000 -196.689 43.4029 -211.939 43.4025 -30.6575 76.566 -211.939 76.5657 174.866 GPRESSURE: 179000 -188.627 -72.0717 -232.62 -16.6654 18.459 25.2872 -165.314 226.471 194.521 PRESSAVG: 179000 -4.65729 -25.0008 -57.4994 -25.0007 12.8285 1.1216 -57.4993 1.12165 12.1333 GPRESSAVG: 179000 -5.68396 -25.2075 -56.873 -25.7439 13.0571 0.495491 -57.5945 2.5938 12.9789 TIMING: 179000 CPU: 563.555, 0.00315377/step Wall: 563.555, 0.00315377/step, 4.22342 hours remaining, 234.539062 MB of memory in use. ENERGY: 179000 3954.6490 20481.3978 14510.6042 251.9435 -203642.3621 2648.1105 0.0000 0.0000 52269.3353 -109526.3216 300.3926 -161795.6569 -109161.4028 299.9784 -17.4935 8.1178 760015.9611 6.7682 6.7840 PRESSURE: 179200 61.0202 45.2219 -122.9 45.2221 44.8942 251.885 -122.901 251.885 -104.818 GPRESSURE: 179200 63.0239 82.6142 -166.583 75.4103 81.3095 272.9 -154.381 141.702 -68.0589 PRESSAVG: 179200 -54.2471 -47.3861 -15.3979 -47.3861 34.6471 43.822 -15.3979 43.8219 -19.0361 GPRESSAVG: 179200 -53.5822 -45.2189 -16.3828 -48.0131 33.5123 45.1715 -13.7122 41.8337 -18.7639 TIMING: 179200 CPU: 564.184, 0.00314308/step Wall: 564.184, 0.00314308/step, 4.20893 hours remaining, 234.539062 MB of memory in use. ENERGY: 179200 4038.1865 20660.6061 14394.7854 241.8862 -203284.1174 2427.7765 0.0000 0.0000 52142.9182 -109377.9585 299.6661 -161520.8767 -109024.9605 299.8018 0.3655 25.4248 762002.8196 -12.8787 -12.9446 PRESSURE: 179400 -190.963 -166.332 107.037 -166.333 260.517 52.8162 107.037 52.8148 90.3304 GPRESSURE: 179400 -173.557 -208.667 165.33 -114.215 261.491 133.465 -18.0399 -107.305 138.346 PRESSAVG: 179400 8.66947 -134.668 -71.2287 -134.668 7.4025 28.6862 -71.2287 28.6862 3.52255 GPRESSAVG: 179400 8.02878 -134.714 -72.5565 -134.972 7.87042 30.1687 -70.5035 29.9217 3.49445 TIMING: 179400 CPU: 564.816, 0.00316184/step Wall: 564.816, 0.00316184/step, 4.23388 hours remaining, 234.539062 MB of memory in use. ENERGY: 179400 3979.2131 20568.8464 14439.9189 247.1082 -203075.6151 2513.2791 0.0000 0.0000 52230.5878 -109096.6617 300.1699 -161327.2495 -108734.0222 299.9856 53.2948 75.4269 761850.2250 6.5315 6.4646 PRESSURE: 179600 148.96 -305.16 83.8732 -305.16 -111.466 47.4825 83.8735 47.4826 26.2175 GPRESSURE: 179600 156.903 -290.162 130.448 -406.801 -53.3801 137.718 169.297 6.56591 54.4648 PRESSAVG: 179600 -16.9279 -63.5841 21.8211 -63.5842 -0.0762036 12.2852 21.821 12.2851 0.0519556 GPRESSAVG: 179600 -16.6659 -64.3342 22.9505 -63.5997 0.479628 11.6937 21.7711 12.0936 -0.0426443 TIMING: 179600 CPU: 565.444, 0.00313634/step Wall: 565.444, 0.00313634/step, 4.19956 hours remaining, 234.539062 MB of memory in use. ENERGY: 179600 3941.5469 20710.9182 14490.7089 247.4296 -203247.8570 2506.0657 0.0000 0.0000 52071.5353 -109279.6524 299.2558 -161351.1877 -108919.5443 299.9643 21.2370 52.6624 759381.1673 -5.6507 -5.4096 PRESSURE: 179800 -53.7264 -93.593 -59.8122 -93.5934 64.9421 -6.387 -59.8118 -6.38694 -156.21 GPRESSURE: 179800 19.9275 40.5339 4.61758 -55.5265 49.4324 34.8133 -26.2907 -182.612 -126.596 PRESSAVG: 179800 2.57857 -26.7097 -50.8975 -26.7097 -30.5509 -35.1664 -50.8975 -35.1664 16.2688 GPRESSAVG: 179800 3.32857 -24.6854 -50.0641 -27.2839 -30.1548 -37.2062 -52.7374 -35.9953 15.2085 TIMING: 179800 CPU: 566.068, 0.00312099/step Wall: 566.068, 0.00312099/step, 4.17883 hours remaining, 234.539062 MB of memory in use. ENERGY: 179800 4021.4554 20485.3251 14455.6836 239.9004 -203550.4266 2657.9364 0.0000 0.0000 52271.1921 -109418.9336 300.4033 -161690.1257 -109053.3916 299.9353 -48.3316 -19.0787 759458.9929 -3.9012 -3.8726 PRESSURE: 180000 -26.204 75.0478 -111.706 75.0489 -166.144 -78.4897 -111.705 -78.4888 -103.409 GPRESSURE: 180000 -16.541 84.0829 -193.148 -22.9153 -145.758 -116.708 33.6878 -81.0064 -59.5437 PRESSAVG: 180000 -27.5495 -60.3966 -5.13684 -60.3966 8.07847 -0.989344 -5.13683 -0.989397 0.718819 GPRESSAVG: 180000 -27.3919 -62.3848 -5.4374 -59.8387 7.70227 -1.37567 -2.91217 0.887038 1.25278 TIMING: 180000 CPU: 566.697, 0.00314593/step Wall: 566.697, 0.00314593/step, 4.21205 hours remaining, 234.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 180000 4000.3188 20478.6920 14595.0566 264.0709 -203138.3993 2340.2303 0.0000 0.0000 52036.2927 -109423.7381 299.0533 -161460.0308 -109069.1927 299.0589 -98.5855 -73.9474 761941.4703 -6.2507 -6.1456 PRESSURE: 180200 -349.337 -71.4744 246.151 -71.4738 -19.6425 -172.306 246.151 -172.306 -243.567 GPRESSURE: 180200 -275.211 -28.5827 252.595 -0.756029 -45.3394 -19.1677 261.909 -101.742 -231.306 PRESSAVG: 180200 -61.7094 -55.1493 42.1295 -55.1492 29.4648 -41.9988 42.1294 -41.9988 -7.86328 GPRESSAVG: 180200 -61.5594 -54.5208 40.993 -54.7569 29.3147 -41.6934 41.5351 -43.1426 -8.02228 TIMING: 180200 CPU: 567.322, 0.00312487/step Wall: 567.322, 0.00312487/step, 4.18369 hours remaining, 234.539062 MB of memory in use. ENERGY: 180200 4021.0057 20613.3476 14441.8995 254.2846 -203402.8480 2668.6413 0.0000 0.0000 52107.9940 -109295.6754 299.4654 -161403.6694 -108944.7152 299.2262 -204.1821 -183.9521 763652.5610 -13.3693 -13.4223 LDB: ============= START OF LOAD BALANCING ============== 579.772 LDB: ============== END OF LOAD BALANCING =============== 579.772 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 579.774 LDB: ============= START OF LOAD BALANCING ============== 580.089 LDB: Largest compute 7076 load 0.035724 is 18.3% of average load 0.194862 LDB: Average compute 0.004373 is 2.2% of average load 0.194862 LDB: TIME 580.092 LOAD: AVG 0.194862 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 580.093 LOAD: AVG 0.194862 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: TIME 580.093 LOAD: AVG 0.194862 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.477 MB LDB: ============== END OF LOAD BALANCING =============== 580.095 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 580.099 PRESSURE: 180400 -250.593 -128.07 -62.6834 -128.07 267.479 -289.58 -62.6824 -289.581 125.628 GPRESSURE: 180400 -111.141 -164.538 -146.038 -92.9688 216.897 -249.688 -7.98515 -199.189 112.159 PRESSAVG: 180400 -25.5228 -1.62157 32.3521 -1.62153 52.2349 -21.644 32.3521 -21.6441 -3.19264 GPRESSAVG: 180400 -24.7466 -2.79792 32.1417 -2.25189 50.9544 -20.4306 32.448 -20.1267 -2.62206 TIMING: 180400 CPU: 567.964, 0.00320806/step Wall: 567.964, 0.00320806/step, 4.29488 hours remaining, 234.988281 MB of memory in use. ENERGY: 180400 3944.5262 20529.6609 14509.4111 249.2473 -203400.3382 2629.6228 0.0000 0.0000 52003.4030 -109534.4669 298.8643 -161537.8700 -109171.3033 299.2270 47.5047 72.6383 762181.7254 7.8398 7.8619 PRESSURE: 180600 294.002 -63.2828 52.8077 -63.2827 -491.735 -132.883 52.8076 -132.883 -105.89 GPRESSURE: 180600 309.109 -211.466 96.0619 -45.6355 -423.24 -140.792 0.230533 -96.6479 -100.891 PRESSAVG: 180600 -44.1032 -96.6338 44.832 -96.6338 89.2027 -1.92443 44.832 -1.9244 -1.06149 GPRESSAVG: 180600 -45.3165 -97.3194 45.835 -96.3773 91.0344 -1.02379 43.552 -5.13055 -0.829125 TIMING: 180600 CPU: 568.59, 0.00313338/step Wall: 568.59, 0.00313338/step, 4.19473 hours remaining, 234.988281 MB of memory in use. ENERGY: 180600 4001.3148 20545.5302 14456.9127 238.1231 -203310.9508 2602.8849 0.0000 0.0000 52005.8030 -109460.3820 298.8781 -161466.1851 -109103.0195 298.9249 -101.2078 -71.6739 761986.1714 14.6793 14.9629 PRESSURE: 180800 -18.4093 33.9878 -153.439 33.9877 -342.693 114.506 -153.44 114.505 -243.35 GPRESSURE: 180800 35.9089 93.4057 -165.298 38.9182 -262.388 129.838 -9.77512 -71.1814 -293.051 PRESSAVG: 180800 -39.1672 -46.3762 81.5624 -46.3762 -16.275 20.3152 81.5625 20.3152 -13.0281 GPRESSAVG: 180800 -40.329 -44.6527 80.3964 -47.0485 -14.8873 18.8598 83.9095 21.9101 -12.8305 TIMING: 180800 CPU: 569.219, 0.00314395/step Wall: 569.219, 0.00314395/step, 4.2087 hours remaining, 234.988281 MB of memory in use. ENERGY: 180800 3992.2170 20444.6361 14466.3324 274.4028 -203335.6065 2543.5183 0.0000 0.0000 52183.0425 -109431.4573 299.8967 -161614.4998 -109065.6905 298.9599 -201.4842 -173.1767 761307.4878 -22.8234 -22.6823 PRESSURE: 181000 -23.091 37.9951 -108.984 37.9945 -152.361 -63.2118 -108.985 -63.212 100.189 GPRESSURE: 181000 20.2693 103.65 -157.789 42.8703 -123.802 15.0513 13.1551 -89.7384 113.051 PRESSAVG: 181000 34.5629 -52.1895 17.7462 -52.1895 -6.99498 -34.4615 17.7462 -34.4615 2.45209 GPRESSAVG: 181000 35.3736 -52.851 18.4816 -51.552 -7.33289 -34.0335 16.7683 -33.6107 1.89038 TIMING: 181000 CPU: 569.85, 0.00315476/step Wall: 569.85, 0.00315476/step, 4.22299 hours remaining, 234.988281 MB of memory in use. ENERGY: 181000 3970.5361 20573.8009 14479.9102 246.8489 -203024.6042 2426.7204 0.0000 0.0000 52042.5851 -109284.2027 299.0895 -161326.7878 -108923.7523 298.9010 -25.0877 3.1729 761289.8032 10.0067 9.9770 PRESSURE: 181200 -227.025 -128.278 -131.431 -128.278 37.2849 192.339 -131.432 192.34 -242.809 GPRESSURE: 181200 -128.31 -32.4803 -48.237 30.0171 -62.4548 204.082 35.5061 -19.301 -158.082 PRESSAVG: 181200 15.6586 -20.5382 40.4343 -20.5382 20.6465 50.6249 40.4343 50.6249 -11.7162 GPRESSAVG: 181200 17.8566 -19.4149 42.1837 -20.627 18.2511 49.356 39.7864 49.8239 -11.3719 TIMING: 181200 CPU: 570.482, 0.00316246/step Wall: 570.482, 0.00316246/step, 4.23313 hours remaining, 234.988281 MB of memory in use. ENERGY: 181200 3993.7436 20434.2449 14505.9224 245.5025 -202924.5319 2432.2540 0.0000 0.0000 52080.8968 -109231.9678 299.3096 -161312.8646 -108869.5778 299.0791 -144.1828 -116.2825 763102.9456 8.1963 8.2453 PRESSURE: 181400 -98.6356 75.9919 -48.4919 75.9911 -84.6364 139.165 -48.4912 139.165 45.6474 GPRESSURE: 181400 -25.9941 31.0983 6.42181 52.2196 -81.1208 121.431 11.7262 20.0254 57.1785 PRESSAVG: 181400 12.5601 -33.1601 61.1159 -33.1602 -66.9759 -29.2818 61.116 -29.2817 -12.9186 GPRESSAVG: 181400 10.4515 -35.0495 57.8535 -31.5157 -65.3409 -29.8531 61.4048 -29.2444 -11.8649 TIMING: 181400 CPU: 571.111, 0.00314089/step Wall: 571.111, 0.00314089/step, 4.20408 hours remaining, 234.988281 MB of memory in use. ENERGY: 181400 3991.1337 20672.1779 14433.4593 229.1515 -202612.9160 2031.3650 0.0000 0.0000 52063.6871 -109191.9416 299.2107 -161255.6286 -108833.2726 299.3139 -45.8749 -16.6455 762497.5908 -22.4448 -22.2514 PRESSURE: 181600 -276.634 -55.3067 -52.4513 -55.3071 164.869 168.806 -52.4516 168.806 -31.8902 GPRESSURE: 181600 -288.445 30.4633 -40.8911 38.7002 220.034 214.666 -127.052 203.968 21.6197 PRESSAVG: 181600 -62.4943 -15.8348 -39.3245 -15.8348 70.5701 14.2068 -39.3245 14.2067 24.2942 GPRESSAVG: 181600 -62.3576 -13.3144 -37.7038 -18.3725 71.3906 15.9282 -39.5383 15.0705 23.9329 TIMING: 181600 CPU: 571.738, 0.00313856/step Wall: 571.738, 0.00313856/step, 4.20079 hours remaining, 234.988281 MB of memory in use. ENERGY: 181600 3971.9883 20496.8555 14454.9315 249.1311 -203382.2913 2538.6638 0.0000 0.0000 52397.4348 -109273.2862 301.1288 -161670.7210 -108910.6846 299.3700 -47.8851 -15.5970 760643.7368 10.7900 10.9886 PRESSURE: 181800 145.394 -24.3041 -43.8091 -24.3041 -46.2011 -395.984 -43.8094 -395.983 157.262 GPRESSURE: 181800 78.2194 -158.884 -47.4319 -101.836 97.069 -405.994 16.9099 -435.763 144.354 PRESSAVG: 181800 -48.5773 -49.0003 -46.0231 -49.0002 24.498 -11.4565 -46.0231 -11.4564 -7.68915 GPRESSAVG: 181800 -48.3935 -51.7091 -45.9888 -46.9262 23.8781 -12.8927 -45.1706 -11.2209 -7.29999 TIMING: 181800 CPU: 572.366, 0.00313626/step Wall: 572.366, 0.00313626/step, 4.19754 hours remaining, 234.988281 MB of memory in use. ENERGY: 181800 4042.6567 20564.1338 14444.1989 252.0505 -203048.6989 2498.1135 0.0000 0.0000 52060.2730 -109187.2725 299.1911 -161247.5455 -108837.5410 299.5690 85.4849 106.5475 761488.5203 -10.5895 -10.6051 PRESSURE: 182000 -112.855 -0.447033 86.9595 -0.447533 32.2827 96.1909 86.9586 96.1913 -116.218 GPRESSURE: 182000 -56.7827 -16.1125 -10.5488 -54.2526 51.8174 217.337 49.9171 19.3615 -106.244 PRESSAVG: 182000 23.5667 -3.65615 24.4102 -3.65615 -27.5765 14.7548 24.4102 14.7548 -9.43093 GPRESSAVG: 182000 23.6958 -2.65625 22.9453 -2.23234 -28.2623 14.9514 24.8 13.7443 -8.89418 TIMING: 182000 CPU: 572.995, 0.0031493/step Wall: 572.995, 0.0031493/step, 4.21481 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 182000 3987.0676 20602.0683 14448.5540 255.6245 -203235.9307 2702.8223 0.0000 0.0000 52028.3078 -109211.4862 299.0074 -161239.7940 -108846.0264 299.3269 -65.5968 -37.0697 761410.3359 -4.4802 -4.4869 PRESSURE: 182200 -488.182 -211.369 315.151 -211.37 -203.999 150.985 315.151 150.984 71.58 GPRESSURE: 182200 -376.339 -16.1272 331.962 -153.725 -246.989 136.248 377.9 193.868 97.2957 PRESSAVG: 182200 -38.6623 -39.4734 14.8489 -39.4733 -26.5049 28.2174 14.8488 28.2174 14.7249 GPRESSAVG: 182200 -37.5454 -37.1963 16.4837 -41.1462 -25.943 29.7908 16.5925 27.0975 13.1838 TIMING: 182200 CPU: 573.623, 0.00313606/step Wall: 573.623, 0.00313606/step, 4.19692 hours remaining, 234.988281 MB of memory in use. ENERGY: 182200 3970.9960 20502.2060 14477.5701 262.6610 -202731.1983 2281.4652 0.0000 0.0000 51834.4061 -109401.8938 297.8930 -161236.2999 -109029.0180 299.1590 -206.8668 -175.3444 762987.5215 -16.8141 -16.7682 PRESSURE: 182400 -275.687 45.6822 -32.8236 45.6823 -470.988 -321.313 -32.824 -321.312 -136.629 GPRESSURE: 182400 -303.555 25.282 -81.2879 37.8466 -333.844 -271.481 163.692 -302.943 -167.3 PRESSAVG: 182400 -0.421269 -54.8134 40.487 -54.8134 -45.8689 16.501 40.487 16.501 -11.6863 GPRESSAVG: 182400 -2.20349 -54.6911 40.1508 -55.5436 -44.2621 16.2224 39.3243 17.1158 -11.5782 TIMING: 182400 CPU: 574.248, 0.0031265/step Wall: 574.248, 0.0031265/step, 4.18396 hours remaining, 234.988281 MB of memory in use. ENERGY: 182400 4032.0811 20549.5559 14424.4011 256.6483 -203369.5896 2382.3075 0.0000 0.0000 52309.2268 -109415.3689 300.6218 -161724.5957 -109055.6979 298.9847 -294.4348 -268.2327 761581.1505 -19.3255 -19.3479 PRESSURE: 182600 42.2968 -71.6412 -39.7826 -71.6412 275.598 -75.5354 -39.7825 -75.535 -176.39 GPRESSURE: 182600 98.1321 -167.292 -50.7979 -60.0542 219.115 -18.022 -32.8641 -93.1479 -95.725 PRESSAVG: 182600 -31.9958 -45.8394 36.0256 -45.8395 -10.5141 1.28097 36.0257 1.28097 13.1491 GPRESSAVG: 182600 -31.732 -48.9305 35.236 -42.969 -11.01 0.741574 35.3162 2.44985 13.8429 TIMING: 182600 CPU: 574.877, 0.00314381/step Wall: 574.877, 0.00314381/step, 4.20694 hours remaining, 234.988281 MB of memory in use. ENERGY: 182600 3958.4386 20592.7011 14469.4062 226.1940 -203173.6716 2507.2054 0.0000 0.0000 52019.2217 -109400.5045 298.9552 -161419.7262 -109039.7383 299.3557 47.1684 73.8406 759914.1178 -9.7869 -9.6330 PRESSURE: 182800 -352.798 -110.83 126.693 -110.829 -682.252 148.583 126.694 148.585 -138.543 GPRESSURE: 182800 -302.81 -32.8544 -7.04897 -51.6885 -626.003 131.04 163.537 181.672 -135.302 PRESSAVG: 182800 -41.9711 -21.7454 -14.6186 -21.7454 3.6211 -23.6463 -14.6186 -23.6463 26.6686 GPRESSAVG: 182800 -42.036 -18.7684 -14.2479 -24.0755 4.49162 -21.121 -15.538 -25.9069 25.6287 TIMING: 182800 CPU: 575.502, 0.00312649/step Wall: 575.502, 0.00312649/step, 4.18359 hours remaining, 234.988281 MB of memory in use. ENERGY: 182800 4020.6814 20567.1008 14469.4637 248.0766 -202758.8233 2151.9180 0.0000 0.0000 52031.7508 -109269.8322 299.0272 -161301.5829 -108905.5799 299.2051 -391.1977 -354.7051 761978.6729 -3.8938 -3.9719 PRESSURE: 183000 -0.508398 0.814885 203.914 0.814446 -198.607 74.1706 203.915 74.1703 314.417 GPRESSURE: 183000 51.0384 27.1598 239.95 8.86103 -233.204 80.8064 114.241 73.4375 377.714 PRESSAVG: 183000 12.5848 -49.7757 22.7376 -49.7757 -36.9384 11.405 22.7376 11.4051 10.3443 GPRESSAVG: 183000 14.0225 -51.6283 22.6995 -50.3524 -39.3051 8.62845 22.9666 13.7313 10.7054 TIMING: 183000 CPU: 576.128, 0.00312899/step Wall: 576.128, 0.00312899/step, 4.18677 hours remaining, 234.988281 MB of memory in use. ENERGY: 183000 3973.0867 20570.6211 14460.5096 235.0990 -203669.2002 2848.0931 0.0000 0.0000 52426.7835 -109155.0072 301.2974 -161581.7907 -108794.7006 299.8948 38.4340 65.1825 760239.3843 -4.6698 -4.8591 PRESSURE: 183200 107.439 5.27441 -54.7804 5.27439 -17.9154 -106.748 -54.7799 -106.747 16.7339 GPRESSURE: 183200 82.8515 1.48839 14.2874 -30.2527 147.46 -124.959 -109.014 -143.067 -23.1432 PRESSAVG: 183200 -47.5805 -74.8442 49.2459 -74.8442 5.49053 6.13246 49.2459 6.1325 26.6989 GPRESSAVG: 183200 -47.965 -75.2178 47.2749 -74.2559 6.59179 8.29347 50.8465 4.99229 27.1344 TIMING: 183200 CPU: 576.753, 0.00312655/step Wall: 576.753, 0.00312655/step, 4.18332 hours remaining, 234.988281 MB of memory in use. ENERGY: 183200 3964.6072 20598.6833 14464.7713 244.2505 -203266.1522 2538.1346 0.0000 0.0000 52108.2978 -109347.4075 299.4671 -161455.7053 -108975.9962 299.9901 35.4191 69.0562 761335.3699 -5.1304 -4.7463 PRESSURE: 183400 221.741 24.7499 85.6863 24.7503 102.719 136.076 85.6865 136.076 105.507 GPRESSURE: 183400 201.771 -133.027 50.378 -61.8437 112.252 110.114 27.4975 235.298 194.688 PRESSAVG: 183400 34.3808 -114.165 19.6845 -114.165 -64.6142 -13.9506 19.6846 -13.9506 -9.94014 GPRESSAVG: 183400 32.8647 -114.905 22.008 -113.972 -63.8336 -14.6391 19.5593 -13.0204 -9.13365 TIMING: 183400 CPU: 577.382, 0.00314474/step Wall: 577.382, 0.00314474/step, 4.20748 hours remaining, 234.988281 MB of memory in use. ENERGY: 183400 3990.9777 20664.4963 14479.8727 253.9370 -203448.1392 2692.6644 0.0000 0.0000 52187.2059 -109178.9851 299.9206 -161366.1911 -108819.7359 299.6882 143.3223 169.5703 762090.4814 -13.3912 -13.3675 PRESSURE: 183600 -74.1499 -162.637 50.6433 -162.638 -4.76589 101.865 50.6438 101.863 -386.664 GPRESSURE: 183600 53.0477 -216.721 52.7398 -78.0788 -94.9465 141.892 -23.3504 49.9212 -338.854 PRESSAVG: 183600 79.2906 -62.3305 11.6076 -62.3304 -40.5392 -3.5454 11.6076 -3.54527 5.09297 GPRESSAVG: 183600 81.3928 -62.5452 11.586 -61.2446 -40.7868 -3.74906 10.4247 -3.87055 3.62213 TIMING: 183600 CPU: 578.005, 0.00311642/step Wall: 578.005, 0.00311642/step, 4.16942 hours remaining, 234.988281 MB of memory in use. ENERGY: 183600 4036.0163 20516.6072 14495.7208 248.7565 -203154.5491 2378.4371 0.0000 0.0000 52337.1646 -109141.8466 300.7824 -161479.0112 -108778.8348 299.8944 -155.1934 -126.9175 763687.3021 14.6148 14.7427 PRESSURE: 183800 21.312 40.3814 -130.247 40.3814 -60.9946 -95.779 -130.247 -95.7792 -55.4845 GPRESSURE: 183800 34.24 14.8901 -68.2305 -38.2274 -24.0837 -163.089 -68.3755 -222.143 -17.6645 PRESSAVG: 183800 45.4658 -83.8023 24.5104 -83.8023 -69.3975 -16.3327 24.5104 -16.3326 0.0563633 GPRESSAVG: 183800 45.0323 -81.9145 22.3286 -86.3136 -69.4685 -15.3302 27.8536 -17.7942 0.211267 TIMING: 183800 CPU: 578.633, 0.0031408/step Wall: 578.633, 0.0031408/step, 4.20187 hours remaining, 234.988281 MB of memory in use. ENERGY: 183800 3969.6758 20596.1187 14548.4287 260.8947 -203066.6614 2636.6752 0.0000 0.0000 51916.3181 -109138.5501 298.3638 -161054.8682 -108783.1710 299.6058 -31.7223 -2.5027 762369.6375 -7.9584 -8.0750 PRESSURE: 184000 17.0938 33.4828 161.578 33.4821 125.728 -91.803 161.578 -91.8021 -27.2948 GPRESSURE: 184000 15.5611 11.8151 166.058 -2.1665 126.584 -113.313 43.2544 -2.69539 76.6096 PRESSAVG: 184000 42.0824 -80.4618 20.7496 -80.4619 -80.097 -2.15357 20.7497 -2.15354 30.3882 GPRESSAVG: 184000 42.5256 -82.8259 23.7067 -78.7725 -79.3448 -1.96714 18.0482 -0.122256 29.1197 TIMING: 184000 CPU: 579.261, 0.00313674/step Wall: 579.261, 0.00313674/step, 4.19625 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 184000 3961.1736 20612.0980 14463.5275 240.4951 -203213.2895 2679.2850 0.0000 0.0000 52001.5297 -109255.1806 298.8535 -161256.7103 -108890.4171 299.6986 38.5089 72.9182 760939.0538 -2.5421 -2.5665 PRESSURE: 184200 85.3304 -150.687 527.709 -150.687 -413.322 31.7 527.709 31.7004 196.909 GPRESSURE: 184200 62.8522 -83.4373 455.135 -125.587 -266.42 -14.7574 444.719 32.5269 129.723 PRESSAVG: 184200 52.7915 -13.5606 34.3154 -13.5606 -58.9769 -1.21743 34.3154 -1.21745 -2.64877 GPRESSAVG: 184200 52.4797 -12.8105 32.8012 -13.2789 -60.3634 -1.98509 33.8005 -0.869339 -1.75931 TIMING: 184200 CPU: 579.887, 0.00312988/step Wall: 579.887, 0.00312988/step, 4.18691 hours remaining, 234.988281 MB of memory in use. ENERGY: 184200 4000.1003 20649.9443 14487.8238 247.2633 -203455.0517 2564.5962 0.0000 0.0000 52179.2024 -109326.1215 299.8746 -161505.3238 -108972.8897 299.4509 -43.6942 -24.6147 761581.5986 -2.9447 -3.2143 LDB: ============= START OF LOAD BALANCING ============== 592.337 LDB: ============== END OF LOAD BALANCING =============== 592.337 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 592.338 LDB: ============= START OF LOAD BALANCING ============== 592.652 LDB: Largest compute 7057 load 0.035209 is 18.1% of average load 0.194840 LDB: Average compute 0.004357 is 2.2% of average load 0.194840 LDB: TIME 592.655 LOAD: AVG 0.19484 MAX 0.211609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 592.656 LOAD: AVG 0.19484 MAX 0.211609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 592.656 LOAD: AVG 0.19484 MAX 0.211609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 592.658 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 592.663 PRESSURE: 184400 44.111 -56.5512 -159.244 -56.5521 645.064 239.09 -159.244 239.09 -58.6102 GPRESSURE: 184400 133.185 -75.6788 -81.6921 11.743 568.565 242.823 -111.426 108.323 7.46448 PRESSAVG: 184400 6.26545 -48.5582 20.5398 -48.5582 -29.6487 39.414 20.5399 39.4141 0.993165 GPRESSAVG: 184400 6.58498 -47.9659 20.4894 -48.2137 -30.8573 39.2427 21.4208 39.1324 1.66964 TIMING: 184400 CPU: 580.527, 0.00320053/step Wall: 580.527, 0.00320053/step, 4.28124 hours remaining, 233.964844 MB of memory in use. ENERGY: 184400 3942.4275 20522.8425 14449.0187 254.9036 -203738.2355 2883.6896 0.0000 0.0000 52241.3543 -109443.9994 300.2318 -161685.3537 -109075.6448 299.0673 210.1883 236.4048 760549.5566 -7.4634 -7.5342 PRESSURE: 184600 -263.037 78.5075 97.2467 78.5065 -94.7515 39.4697 97.2463 39.4703 -109.483 GPRESSURE: 184600 -105.307 11.5256 -0.100154 -61.4227 -133.114 11.8899 83.0913 -9.88267 -139.248 PRESSAVG: 184600 56.0953 -28.377 -11.1243 -28.377 -55.9283 0.279094 -11.1243 0.279037 -18.2302 GPRESSAVG: 184600 55.3442 -28.0427 -11.0512 -29.9467 -54.2688 -0.392249 -12.4843 -1.43272 -19.5238 TIMING: 184600 CPU: 581.154, 0.00313674/step Wall: 581.154, 0.00313674/step, 4.19573 hours remaining, 233.964844 MB of memory in use. ENERGY: 184600 3964.8818 20368.1516 14367.4315 250.7635 -203450.6728 2613.9432 0.0000 0.0000 52330.3912 -109555.1100 300.7435 -161885.5012 -109189.8834 299.3167 -155.7570 -125.8898 760774.2885 -6.0211 -6.1495 PRESSURE: 184800 -127.799 69.1429 109.817 69.1436 194.272 -34.2331 109.817 -34.2329 -88.7215 GPRESSURE: 184800 19.2915 3.75275 190.142 23.091 116.017 58.1211 54.8549 0.546934 -85.4524 PRESSAVG: 184800 -32.6747 -9.15059 73.8416 -9.15057 16.2592 -2.63701 73.8415 -2.63683 8.60865 GPRESSAVG: 184800 -32.5986 -9.24909 73.5571 -8.68296 15.5902 -0.518011 74.5316 -3.35283 8.92717 TIMING: 184800 CPU: 581.786, 0.00315814/step Wall: 581.786, 0.00315814/step, 4.22419 hours remaining, 233.964844 MB of memory in use. ENERGY: 184800 3975.0379 20437.6273 14476.5625 252.9501 -203259.6715 2447.6670 0.0000 0.0000 52074.8636 -109594.9630 299.2750 -161669.8266 -109237.8911 298.7291 -7.4160 16.6187 761579.4096 -2.6023 -2.6938 PRESSURE: 185000 -178.5 -239.011 -36.7088 -239.012 -2.39153 -36.8528 -36.7082 -36.8524 271.595 GPRESSURE: 185000 -183.087 -193.375 -65.2397 -278.517 49.0375 -3.06994 139.341 -90.1956 299.066 PRESSAVG: 185000 -9.65299 -24.3825 11.2787 -24.3824 -44.3437 -14.2976 11.2788 -14.2976 -16.8679 GPRESSAVG: 185000 -9.4001 -22.128 10.5231 -26.1852 -45.5029 -16.1723 11.5032 -11.3355 -15.7069 TIMING: 185000 CPU: 582.42, 0.00317136/step Wall: 582.42, 0.00317136/step, 4.2417 hours remaining, 233.964844 MB of memory in use. ENERGY: 185000 4090.8666 20424.5856 14440.1810 228.6630 -203274.6856 2551.3983 0.0000 0.0000 51916.6601 -109622.3309 298.3658 -161538.9910 -109254.0874 298.6735 30.2344 55.0057 760428.2219 -23.6215 -23.5366 PRESSURE: 185200 -202.166 34.2736 -33.9306 34.2732 13.4605 73.8886 -33.931 73.8887 36.4537 GPRESSURE: 185200 -175.851 111.681 -7.89163 -17.2938 66.7109 36.345 -14.4932 -47.0934 40.9333 PRESSAVG: 185200 -34.4565 -43.662 -4.97058 -43.6619 4.14319 -37.6119 -4.97054 -37.612 -7.28333 GPRESSAVG: 185200 -35.0536 -45.9277 -2.66926 -42.5913 5.28327 -37.525 -5.93457 -37.9965 -7.12797 TIMING: 185200 CPU: 583.049, 0.00314527/step Wall: 583.049, 0.00314527/step, 4.20662 hours remaining, 233.964844 MB of memory in use. ENERGY: 185200 4028.1284 20498.8980 14461.5989 251.6774 -203596.1688 2701.4671 0.0000 0.0000 52047.6053 -109606.7936 299.1183 -161654.3990 -109242.3393 298.4008 -50.7505 -22.7356 761080.0344 -12.5322 -12.2994 PRESSURE: 185400 226.273 -14.5298 -59.3067 -14.5299 -217.81 -68.6553 -59.3063 -68.6555 -328.367 GPRESSURE: 185400 258.074 89.1229 -103.518 26.1424 -128.072 -88.0598 -37.2352 -107.879 -376.736 PRESSAVG: 185400 -12.7063 -7.5503 13.6643 -7.5503 -5.95733 -14.9356 13.6643 -14.9357 7.41073 GPRESSAVG: 185400 -11.8662 -6.20147 12.7438 -6.84043 -5.1373 -14.819 15.1484 -15.5337 5.61422 TIMING: 185400 CPU: 583.678, 0.00314162/step Wall: 583.678, 0.00314162/step, 4.20157 hours remaining, 233.964844 MB of memory in use. ENERGY: 185400 3959.9235 20637.2002 14481.4155 241.7216 -203154.9495 2407.9524 0.0000 0.0000 51789.0449 -109637.6913 297.6324 -161426.7362 -109276.0005 298.4562 -106.6346 -82.2448 761850.6508 -3.7510 -3.7964 PRESSURE: 185600 280.735 33.573 -72.2205 33.5729 0.251569 -170.134 -72.2214 -170.135 154.453 GPRESSURE: 185600 252.525 33.9284 -164.289 215.444 59.218 -118.814 -104.687 -105.929 215.068 PRESSAVG: 185600 17.2624 47.2744 16.0072 47.2745 -19.8324 4.77121 16.0071 4.77127 6.22881 GPRESSAVG: 185600 16.4943 47.2219 15.3311 48.3661 -20.023 4.88175 17.4261 3.3582 7.42855 TIMING: 185600 CPU: 584.305, 0.00313717/step Wall: 584.305, 0.00313717/step, 4.19544 hours remaining, 233.964844 MB of memory in use. ENERGY: 185600 4006.7764 20355.4509 14487.4588 249.3504 -203425.9274 2764.6793 0.0000 0.0000 52070.7194 -109491.4922 299.2511 -161562.2116 -109110.0284 299.2765 145.1464 175.6036 761651.7681 1.2196 1.3000 PRESSURE: 185800 -280.591 -149.975 -191.725 -149.974 15.8281 -81.5103 -191.726 -81.5097 194.847 GPRESSURE: 185800 -201.01 -54.2915 -160.184 -120.132 36.621 -179.309 -124.96 -67.2401 177.494 PRESSAVG: 185800 -63.8711 -14.9314 -0.935266 -14.9314 13.2676 -46.7281 -0.935287 -46.728 -9.831 GPRESSAVG: 185800 -64.4497 -15.8738 -0.0693638 -16.2616 14.1157 -47.1154 -2.55954 -45.393 -10.6668 TIMING: 185800 CPU: 584.936, 0.00315373/step Wall: 584.936, 0.00315373/step, 4.21741 hours remaining, 233.964844 MB of memory in use. ENERGY: 185800 4005.0804 20564.8849 14511.1191 254.2613 -203200.6655 2644.4809 0.0000 0.0000 51684.7208 -109536.1182 297.0328 -161220.8390 -109181.6193 299.0642 -23.3053 4.3684 763342.0836 -20.1448 -20.3336 PRESSURE: 186000 -31.5197 -116.513 -134.425 -116.512 54.5988 12.3519 -134.425 12.351 -150.536 GPRESSURE: 186000 -47.7582 -22.6637 -157.541 -111.215 131.487 15.0323 -232.937 131.375 -124.676 PRESSAVG: 186000 -35.8623 -0.591564 17.5495 -0.591475 33.8689 14.8589 17.5495 14.859 3.15905 GPRESSAVG: 186000 -35.6511 -1.49591 17.1581 -1.99889 32.6323 13.7691 17.9566 15.1174 3.31559 TIMING: 186000 CPU: 585.562, 0.00313295/step Wall: 585.562, 0.00313295/step, 4.18945 hours remaining, 233.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 186000 4024.5652 20509.3703 14451.3386 247.5674 -203558.0034 2632.5309 0.0000 0.0000 52163.6144 -109529.0166 299.7850 -161692.6309 -109163.9189 298.7973 -42.4856 -13.6492 761254.3463 0.3886 0.0989 PRESSURE: 186200 57.0287 -108.117 -43.5789 -108.117 -73.9412 240.628 -43.5788 240.629 -167.836 GPRESSURE: 186200 12.0816 -169.593 -35.7369 29.9554 15.1409 186.315 -8.46951 174.401 -123.244 PRESSAVG: 186200 -2.95699 -23.3064 5.21905 -23.3065 1.39249 -3.95339 5.21901 -3.95327 0.420488 GPRESSAVG: 186200 -3.12021 -23.7664 5.27505 -19.9376 1.90871 -2.34079 4.85396 -5.65736 0.210268 TIMING: 186200 CPU: 586.193, 0.00315321/step Wall: 586.193, 0.00315321/step, 4.21637 hours remaining, 233.964844 MB of memory in use. ENERGY: 186200 4031.0631 20572.2450 14509.5116 263.7285 -203649.4326 2931.6440 0.0000 0.0000 52020.4039 -109320.8365 298.9620 -161341.2404 -108962.1509 299.0430 -61.5830 -32.0073 762716.5244 -0.3813 -0.3337 PRESSURE: 186400 -97.0218 -63.6199 -260.985 -63.6197 -176.461 -140.346 -260.986 -140.346 -449.226 GPRESSURE: 186400 -126.432 -68.0017 -210.603 -43.5533 -93.1605 -32.3079 -292.895 -202.833 -411.196 PRESSAVG: 186400 39.7974 11.1169 48.1036 11.1168 -10.2286 -34.7699 48.1035 -34.7699 -6.99654 GPRESSAVG: 186400 40.3915 12.2203 47.7986 8.9916 -10.1752 -36.0143 47.8922 -34.8726 -7.67757 TIMING: 186400 CPU: 586.821, 0.00313776/step Wall: 586.821, 0.00313776/step, 4.19553 hours remaining, 233.964844 MB of memory in use. ENERGY: 186400 4029.9607 20453.2913 14467.9331 234.6612 -203158.7894 2473.6500 0.0000 0.0000 52101.1935 -109398.0996 299.4263 -161499.2931 -109028.9250 298.8982 -240.9027 -210.2628 762077.2865 7.5241 7.5129 PRESSURE: 186600 -359.091 -110.754 83.8297 -110.754 -230.26 -100.412 83.8299 -100.412 -101.381 GPRESSURE: 186600 -281.164 -94.0822 103.287 -124.867 -211.355 -98.9625 172.346 -130.294 -111.48 PRESSAVG: 186600 -0.207034 -26.3249 11.6433 -26.3249 0.641014 1.95522 11.6433 1.95524 8.3793 GPRESSAVG: 186600 -0.582985 -28.7358 12.0928 -25.1776 -0.139273 2.57209 11.7765 2.13124 9.03834 TIMING: 186600 CPU: 587.447, 0.0031347/step Wall: 587.447, 0.0031347/step, 4.19127 hours remaining, 233.964844 MB of memory in use. ENERGY: 186600 3963.1764 20557.1898 14449.7014 254.7391 -202857.2083 2333.4080 0.0000 0.0000 51837.1270 -109461.8665 297.9087 -161298.9936 -109106.4809 298.6507 -230.2442 -201.3330 762381.4459 2.9378 2.7720 PRESSURE: 186800 -14.3042 34.9432 61.9457 34.9426 -129.863 111.221 61.946 111.22 -195.344 GPRESSURE: 186800 5.02253 -9.16453 44.503 27.3298 -106.079 35.8913 39.0165 142.359 -132.702 PRESSAVG: 186800 -21.0131 -41.9544 54.5183 -41.9545 46.0253 -15.2191 54.5183 -15.2192 -18.7427 GPRESSAVG: 186800 -21.1766 -41.2762 54.2307 -41.164 45.5568 -17.0582 55.8288 -13.3158 -18.178 TIMING: 186800 CPU: 588.079, 0.00315638/step Wall: 588.079, 0.00315638/step, 4.22008 hours remaining, 233.964844 MB of memory in use. ENERGY: 186800 3897.0068 20473.0081 14459.5809 253.7051 -203257.4720 2631.9250 0.0000 0.0000 52235.7503 -109306.4958 300.1996 -161542.2461 -108949.6505 299.2253 -113.1702 -77.9195 762083.6499 2.0898 2.0674 PRESSURE: 187000 -162.432 10.56 86.2713 10.5612 -152.743 -75.3897 86.271 -75.3895 145.207 GPRESSURE: 187000 35.9869 50.3795 91.7464 -1.92624 -260.658 -66.8421 53.1196 -213.92 143.925 PRESSAVG: 187000 8.34775 -47.9108 52.5102 -47.9107 -7.11399 45.1527 52.5103 45.1527 -4.86192 GPRESSAVG: 187000 10.2192 -45.3717 53.5317 -51.5152 -6.88235 47.3253 49.2336 43.3121 -6.94449 TIMING: 187000 CPU: 588.709, 0.00314944/step Wall: 588.709, 0.00314944/step, 4.21062 hours remaining, 233.964844 MB of memory in use. ENERGY: 187000 3983.3800 20515.5508 14517.0782 264.0523 -203448.5200 2746.5134 0.0000 0.0000 52055.3622 -109366.5830 299.1629 -161421.9452 -109003.6382 299.3682 -56.6561 -26.9152 763536.5175 -1.2094 -1.2025 PRESSURE: 187200 -457.733 -30.3924 -110.258 -30.3918 -279.043 53.013 -110.258 53.0128 -55.8208 GPRESSURE: 187200 -404.817 -65.4151 0.396961 56.85 -241.989 78.3596 -19.0627 50.2241 -78.4574 PRESSAVG: 187200 -1.99271 -49.6078 9.47282 -49.6078 6.51904 10.4328 9.47287 10.4328 -0.832543 GPRESSAVG: 187200 -2.82588 -52.2027 9.24339 -48.6361 6.37728 9.23386 9.47817 10.5867 -0.099382 TIMING: 187200 CPU: 589.337, 0.0031424/step Wall: 589.337, 0.0031424/step, 4.20104 hours remaining, 233.964844 MB of memory in use. ENERGY: 187200 3972.4646 20560.4265 14485.2451 238.7750 -203014.7923 2591.5955 0.0000 0.0000 51988.0485 -109178.2370 298.7760 -161166.2855 -108816.3574 299.6528 -264.1987 -241.7545 764183.8022 1.2313 1.1507 PRESSURE: 187400 -99.0582 -253.144 24.4497 -253.144 -95.6926 -99.1617 24.4497 -99.1612 -401.294 GPRESSURE: 187400 -34.6514 -300.053 54.8822 -97.9045 -133.013 -106.586 10.5108 -133.75 -358.357 PRESSAVG: 187400 2.92002 -36.8627 -15.2392 -36.8627 42.0924 2.41239 -15.2392 2.41226 16.3898 GPRESSAVG: 187400 2.58336 -34.7007 -17.5124 -35.6731 41.4334 1.86824 -12.626 2.68839 16.8741 TIMING: 187400 CPU: 589.964, 0.00313585/step Wall: 589.964, 0.00313585/step, 4.19211 hours remaining, 233.964844 MB of memory in use. ENERGY: 187400 4028.8325 20536.0297 14532.5226 245.8970 -203154.8203 2597.2358 0.0000 0.0000 52061.3816 -109152.9212 299.1975 -161214.3028 -108796.4506 299.1014 -198.6817 -175.3406 764279.4612 20.4674 20.2969 PRESSURE: 187600 -256.087 -205.36 162.427 -205.359 -99.7854 -89.5039 162.427 -89.505 -241.202 GPRESSURE: 187600 -218.297 -157.679 170.115 -78.0538 -12.4492 -77.4404 71.9492 33.7632 -271.763 PRESSAVG: 187600 -57.6601 -44.2779 18.4596 -44.2779 55.5505 -30.4958 18.4596 -30.4958 12.304 GPRESSAVG: 187600 -58.7911 -46.041 21.869 -45.8777 56.4718 -30.4285 14.945 -29.5501 12.9076 TIMING: 187600 CPU: 590.596, 0.00315829/step Wall: 590.596, 0.00315829/step, 4.22193 hours remaining, 233.964844 MB of memory in use. ENERGY: 187600 3978.1909 20524.8506 14562.0605 261.8362 -203128.2885 2672.0563 0.0000 0.0000 52230.1761 -108899.1178 300.1675 -161129.2939 -108534.5509 299.6378 -199.0245 -167.5032 762409.0879 3.3982 3.5294 PRESSURE: 187800 244.883 -102.64 341.976 -102.64 -4.4875 -67.7311 341.976 -67.7318 -45.5403 GPRESSURE: 187800 240.852 -154.406 269.526 -145.386 71.1455 -54.2999 253.278 -22.1301 2.39834 PRESSAVG: 187800 -28.163 -47.3347 78.3188 -47.3346 21.6564 -17.0952 78.3188 -17.0952 32.6122 GPRESSAVG: 187800 -28.2952 -45.6899 77.9889 -45.5679 22.0354 -15.6218 79.5696 -17.6346 32.8296 TIMING: 187800 CPU: 591.226, 0.00315114/step Wall: 591.226, 0.00315114/step, 4.2122 hours remaining, 233.964844 MB of memory in use. ENERGY: 187800 4008.8979 20463.1869 14480.5706 241.6449 -202674.4572 2367.3348 0.0000 0.0000 52239.9013 -108872.9209 300.2234 -161112.8222 -108511.8603 300.0543 64.9519 104.7987 761680.7468 8.7019 8.8566 PRESSURE: 188000 -367.103 -5.41497 140.769 -5.41567 -117.305 -23.7839 140.77 -23.7829 33.7852 GPRESSURE: 188000 -202.867 22.7042 149.115 -102.429 -99.2456 -53.679 125.243 41.6493 -62.996 PRESSAVG: 188000 47.5483 -64.1594 14.9628 -64.1594 -0.479825 15.0628 14.9628 15.0627 -16.3337 GPRESSAVG: 188000 49.3642 -66.3318 13.197 -64.4496 -2.03966 14.9928 14.0132 15.86 -16.4836 TIMING: 188000 CPU: 591.855, 0.00314567/step Wall: 591.855, 0.00314567/step, 4.20471 hours remaining, 233.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 188000 3961.7145 20566.5473 14476.8699 244.5750 -202998.0630 2485.4177 0.0000 0.0000 52227.0340 -109035.9046 300.1495 -161262.9385 -108659.7939 300.2903 -150.2079 -121.7030 760746.8763 10.2449 10.2803 PRESSURE: 188200 234.663 -106.885 76.1256 -106.885 -226.25 -21.2666 76.1251 -21.2668 -150.993 GPRESSURE: 188200 199.428 24.7692 131.878 -35.0556 -180.168 -14.7656 205.65 -34.4276 -101.742 PRESSAVG: 188200 -0.293068 -10.8962 67.3405 -10.8962 -13.7423 -44.2482 67.3405 -44.2482 -7.29405 GPRESSAVG: 188200 -0.962958 -8.98338 69.1636 -10.5818 -13.5471 -45.1766 67.3829 -44.7247 -7.16502 TIMING: 188200 CPU: 592.484, 0.00314593/step Wall: 592.484, 0.00314593/step, 4.20488 hours remaining, 233.964844 MB of memory in use. ENERGY: 188200 3921.9833 20636.9616 14483.3506 241.2036 -202818.7513 2394.8711 0.0000 0.0000 52036.5634 -109103.8177 299.0548 -161140.3811 -108734.2924 300.0086 -47.5269 -27.4940 761615.2294 -7.1098 -7.2250 LDB: ============= START OF LOAD BALANCING ============== 604.934 LDB: ============== END OF LOAD BALANCING =============== 604.935 LDB: =============== DONE WITH MIGRATION ================ 604.936 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 605.25 LDB: Largest compute 7076 load 0.036709 is 18.8% of average load 0.194859 LDB: Average compute 0.004393 is 2.3% of average load 0.194859 LDB: TIME 605.254 LOAD: AVG 0.194859 MAX 0.213494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.988 MB LDB: TIME 605.254 LOAD: AVG 0.194859 MAX 0.213494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 605.254 LOAD: AVG 0.194859 MAX 0.213494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 605.256 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 605.261 PRESSURE: 188400 -0.243841 -78.0762 229.819 -78.0763 365.143 -210.348 229.819 -210.348 -68.6237 GPRESSURE: 188400 21.3903 -120.649 132.489 -54.6726 387.262 -212.591 237.463 -170.016 -40.3166 PRESSAVG: 188400 -66.1106 -50.0182 22.8903 -50.0182 53.9204 -31.3344 22.8903 -31.3345 -15.3318 GPRESSAVG: 188400 -65.8838 -50.7111 21.7286 -50.4986 54.1163 -31.329 24.4499 -32.1232 -15.6035 TIMING: 188400 CPU: 593.126, 0.00320562/step Wall: 593.126, 0.00320562/step, 4.28449 hours remaining, 234.988281 MB of memory in use. ENERGY: 188400 3994.4821 20572.7717 14403.2549 249.4408 -203097.4150 2658.3625 0.0000 0.0000 51944.5888 -109274.5142 298.5263 -161219.1030 -108932.4493 299.2915 98.7586 122.7785 759854.7336 -9.1740 -9.1237 PRESSURE: 188600 378.306 -128.352 98.1788 -128.352 142.853 -268.941 98.1785 -268.942 -151.751 GPRESSURE: 188600 364.142 -151.43 73.352 -156.29 213.928 -183.968 131.61 -179.935 -108.391 PRESSAVG: 188600 2.42112 -71.9498 2.28444 -71.9498 7.33429 -32.2213 2.28447 -32.2212 5.31401 GPRESSAVG: 188600 2.16364 -70.9031 2.65949 -73.45 9.44106 -32.3501 1.00726 -32.2892 3.4496 TIMING: 188600 CPU: 593.749, 0.00311577/step Wall: 593.749, 0.00311577/step, 4.16423 hours remaining, 234.988281 MB of memory in use. ENERGY: 188600 3894.1267 20581.8413 14418.9678 235.0446 -202887.2466 2387.9162 0.0000 0.0000 51957.3584 -109411.9917 298.5997 -161369.3502 -109054.7534 299.5243 123.1361 156.5596 761093.0379 5.0231 5.0181 PRESSURE: 188800 43.6992 -56.5884 -310.22 -56.5893 206.96 -187.822 -310.221 -187.822 388.815 GPRESSURE: 188800 106.865 -129.455 -228.005 -163.62 290.189 -264.853 -192.952 -143.235 335.088 PRESSAVG: 188800 45.0669 -84.2238 38.9309 -84.2238 33.392 -22.3409 38.9308 -22.341 7.20134 GPRESSAVG: 188800 44.6268 -86.1168 39.8483 -83.603 30.9916 -21.6948 40.5305 -21.9911 10.0778 TIMING: 188800 CPU: 594.38, 0.00315685/step Wall: 594.38, 0.00315685/step, 4.21895 hours remaining, 234.988281 MB of memory in use. ENERGY: 188800 3948.8149 20476.3874 14394.5821 240.2703 -203020.0272 2809.0991 0.0000 0.0000 51997.1595 -109153.7137 298.8284 -161150.8732 -108784.6074 299.0574 213.1580 244.0474 762005.6678 28.5534 28.5654 PRESSURE: 189000 -409.836 134.364 131.647 134.364 -277.96 4.06733 131.648 4.06682 -286.373 GPRESSURE: 189000 -324.548 86.8241 244.768 57.86 -247.15 25.6691 134.924 -47.9275 -304.53 PRESSAVG: 189000 -7.5974 -70.1472 24.7711 -70.1472 -2.75246 -25.4626 24.7711 -25.4626 33.0716 GPRESSAVG: 189000 -6.40278 -67.3799 21.321 -69.8008 -1.66583 -26.0698 26.4926 -25.0156 30.6362 TIMING: 189000 CPU: 595.01, 0.00314867/step Wall: 595.01, 0.00314867/step, 4.20785 hours remaining, 234.988281 MB of memory in use. ENERGY: 189000 3991.2770 20496.5324 14446.9845 279.4099 -202741.8225 2217.3989 0.0000 0.0000 52006.2903 -109303.9295 298.8809 -161310.2199 -108945.0822 299.1726 -324.7230 -292.0758 761904.6707 7.5739 7.5225 PRESSURE: 189200 184.556 -263.105 73.2836 -263.105 68.9965 54.5106 73.2839 54.5102 198.12 GPRESSURE: 189200 227.695 -183.27 82.8199 -162.155 83.6472 19.9405 12.919 -4.41703 231.722 PRESSAVG: 189200 1.17107 -33.4591 7.22318 -33.4591 19.1183 6.09522 7.22322 6.09518 -5.118 GPRESSAVG: 189200 1.64712 -36.4754 9.9096 -32.0651 17.6618 7.43759 3.52845 4.97697 -4.4968 TIMING: 189200 CPU: 595.639, 0.00314529/step Wall: 595.639, 0.00314529/step, 4.20316 hours remaining, 234.988281 MB of memory in use. ENERGY: 189200 3962.6451 20351.6142 14391.3829 251.4854 -202927.1672 2416.7580 0.0000 0.0000 52214.3416 -109338.9401 300.0765 -161553.2817 -108970.6383 299.0467 150.5574 181.0217 761031.1316 5.0571 4.9374 PRESSURE: 189400 -146.163 139.608 -45.0461 139.608 -94.2607 118.352 -45.0456 118.352 -365.17 GPRESSURE: 189400 -93.9752 63.9243 -34.0939 174.998 -37.6227 145.01 87.0379 92.4123 -386.133 PRESSAVG: 189400 -0.424746 -26.2791 44.7457 -26.2791 -38.4453 -23.8104 44.7457 -23.8104 11.4464 GPRESSAVG: 189400 -1.10301 -23.5251 43.5952 -27.4662 -37.249 -23.0545 43.6878 -25.8488 10.6981 TIMING: 189400 CPU: 596.267, 0.00314236/step Wall: 596.267, 0.00314236/step, 4.19906 hours remaining, 234.988281 MB of memory in use. ENERGY: 189400 3956.4745 20582.6428 14383.5319 278.1037 -202991.6377 2402.7378 0.0000 0.0000 52129.9343 -109258.2128 299.5914 -161388.1471 -108909.6666 299.4668 -201.8646 -172.5771 762225.1371 -9.1412 -9.2180 PRESSURE: 189600 31.3851 -33.076 -97.938 -33.0755 69.6071 -67.4817 -97.9382 -67.4813 -474.173 GPRESSURE: 189600 9.2916 67.3455 -79.8577 4.60735 139.356 -116.13 -122.948 -18.2417 -419.207 PRESSAVG: 189600 -66.1283 -39.1957 39.2715 -39.1957 45.5236 -8.02324 39.2715 -8.02312 -11.7163 GPRESSAVG: 189600 -66.7207 -39.292 39.5861 -39.97 44.716 -7.98067 39.718 -5.80085 -10.1058 TIMING: 189600 CPU: 596.892, 0.00312419/step Wall: 596.892, 0.00312419/step, 4.17462 hours remaining, 234.988281 MB of memory in use. ENERGY: 189600 4047.5001 20501.0868 14519.4093 228.8081 -202824.7862 2115.0464 0.0000 0.0000 52029.2510 -109383.6844 299.0128 -161412.9354 -109022.1334 299.3515 -124.3937 -90.1862 761618.1140 -10.7737 -10.7035 PRESSURE: 189800 -158.922 107.589 168.09 107.59 -415.446 187.512 168.09 187.513 -159.791 GPRESSURE: 189800 -109.468 110.745 132.867 139.496 -408.137 231.834 207.673 109.699 -157.482 PRESSAVG: 189800 -14.0064 -3.534 44.0952 -3.53396 -14.559 13.595 44.0951 13.595 1.36533 GPRESSAVG: 189800 -14.3167 -4.51273 44.4722 -2.84285 -13.5713 15.0654 45.4477 14.2417 0.856377 TIMING: 189800 CPU: 597.52, 0.00313876/step Wall: 597.52, 0.00313876/step, 4.1939 hours remaining, 234.988281 MB of memory in use. ENERGY: 189800 4044.7258 20651.2920 14402.4921 228.1096 -202562.4137 1988.7689 0.0000 0.0000 52067.4678 -109179.5574 299.2325 -161247.0253 -108816.8715 299.3162 -244.7193 -225.0291 763795.6336 -9.0667 -9.0105 PRESSURE: 190000 -175.257 -96.725 -16.7271 -96.7252 11.4496 -39.7095 -16.7268 -39.7097 214.591 GPRESSURE: 190000 -236.255 -134.684 16.5502 -46.1267 112.325 62.0452 44.3974 -100.988 272.151 PRESSAVG: 190000 -14.5969 -32.6973 16.3784 -32.6973 74.3185 -38.5869 16.3784 -38.5869 19.6696 GPRESSAVG: 190000 -13.4273 -33.9072 16.0925 -31.4998 73.9434 -39.5431 14.8009 -40.7427 19.3353 TIMING: 190000 CPU: 598.147, 0.00313352/step Wall: 598.147, 0.00313352/step, 4.18674 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 190000 4040.6971 20553.3081 14397.2081 256.4075 -203224.2407 2512.5104 0.0000 0.0000 52280.7904 -109183.3190 300.4584 -161464.1094 -108824.3069 300.2175 16.9280 49.4071 760587.9115 26.4637 26.6171 PRESSURE: 190200 175.689 -17.4564 -54.72 -17.4564 113.114 -248.139 -54.7201 -248.139 -83.2255 GPRESSURE: 190200 156.812 4.32256 -27.8756 -6.39028 125.065 -306.117 70.1733 -183.17 30.5022 PRESSAVG: 190200 -34.5823 -27.1144 3.9995 -27.1145 42.8203 -1.39504 3.99957 -1.39498 -13.7503 GPRESSAVG: 190200 -35.8046 -25.2922 3.70982 -29.0503 43.1537 -3.19047 6.48762 2.64835 -11.6123 TIMING: 190200 CPU: 598.774, 0.00313586/step Wall: 598.774, 0.00313586/step, 4.18968 hours remaining, 234.988281 MB of memory in use. ENERGY: 190200 3922.3193 20496.5350 14494.6804 248.2358 -203385.6016 2767.8549 0.0000 0.0000 52373.7713 -109082.2049 300.9928 -161455.9762 -108731.1881 299.9475 68.5258 104.1264 761100.9875 -1.8374 -1.4211 PRESSURE: 190400 -532.669 8.67109 -271.478 8.67099 -480.018 -125.654 -271.478 -125.654 -288.459 GPRESSURE: 190400 -509.121 -29.2 -169.524 26.6734 -371.787 -73.2664 -297.062 -210.558 -330.321 PRESSAVG: 190400 -10.3533 -24.5342 37.9434 -24.5343 -23.0902 25.2693 37.9434 25.2693 -5.03561 GPRESSAVG: 190400 -7.67791 -25.2922 38.7773 -21.8648 -24.0374 25.696 37.0471 23.2588 -6.62864 TIMING: 190400 CPU: 599.403, 0.00314388/step Wall: 599.403, 0.00314387/step, 4.20022 hours remaining, 234.988281 MB of memory in use. ENERGY: 190400 4025.5256 20548.8637 14482.8246 251.0563 -202978.0883 2296.7022 0.0000 0.0000 52338.9277 -109034.1882 300.7925 -161373.1159 -108678.9876 299.9393 -433.7156 -403.7427 761785.1302 -12.8264 -12.7813 PRESSURE: 190600 3.40953 222.438 -87.1143 222.438 -18.5551 22.1207 -87.1135 22.1214 63.8073 GPRESSURE: 190600 -21.8069 17.0076 -194.791 165.061 61.0536 -19.7725 17.3027 -76.6433 71.2101 PRESSAVG: 190600 -26.6901 -15.9422 -2.34035 -15.9422 74.9235 1.61503 -2.34034 1.61511 0.8827 GPRESSAVG: 190600 -28.7722 -17.6255 -3.62945 -18.7079 76.5311 -0.0186772 -0.454809 3.15554 1.7831 TIMING: 190600 CPU: 600.03, 0.00313845/step Wall: 600.03, 0.00313845/step, 4.19279 hours remaining, 234.988281 MB of memory in use. ENERGY: 190600 3935.2774 20782.5396 14494.2398 253.1916 -203364.7965 2589.0911 0.0000 0.0000 52476.0459 -108834.4111 301.5806 -161310.4570 -108472.7694 300.0271 16.2206 36.8189 763169.1747 16.3721 16.5140 PRESSURE: 190800 -143.432 -255.54 -103.122 -255.54 -71.8864 26.5601 -103.121 26.5602 70.4038 GPRESSURE: 190800 -126.647 -166.61 -30.3563 -315.501 9.24355 6.40468 40.2539 -16.9891 40.5416 PRESSAVG: 190800 29.9747 -106.015 70.87 -106.015 -58.0345 -18.6886 70.8701 -18.6887 -2.07943 GPRESSAVG: 190800 29.7878 -103.809 70.822 -105.916 -57.8346 -16.6272 68.8839 -21.0435 -2.42539 TIMING: 190800 CPU: 600.66, 0.00314967/step Wall: 600.66, 0.00314967/step, 4.20761 hours remaining, 234.988281 MB of memory in use. ENERGY: 190800 3993.5694 20637.5573 14453.8328 252.1301 -202795.8647 2398.1372 0.0000 0.0000 52339.2935 -108721.3443 300.7946 -161060.6378 -108357.0083 301.0850 -48.3049 -25.6206 764212.2796 -10.0464 -10.1574 PRESSURE: 191000 83.2959 -155.538 -77.7999 -155.538 -229.778 -188.158 -77.8001 -188.158 -174.241 GPRESSURE: 191000 87.8116 -88.771 -108.149 -77.2275 -158.91 -112.504 -156.568 -92.1236 -176.628 PRESSAVG: 191000 -10.1998 -33.9768 31.0515 -33.9769 -0.781976 18.9981 31.0515 18.9981 -2.50066 GPRESSAVG: 191000 -10.4791 -35.7693 30.7945 -33.7727 -0.16367 19.0844 32.5689 20.6569 -3.13207 TIMING: 191000 CPU: 601.293, 0.00316617/step Wall: 601.293, 0.00316617/step, 4.22947 hours remaining, 234.988281 MB of memory in use. ENERGY: 191000 4047.1683 20499.4620 14444.7871 240.6183 -202935.8322 2360.4223 0.0000 0.0000 52688.0555 -108655.3186 302.7990 -161343.3741 -108298.5516 301.0544 -106.9077 -82.5755 763299.8478 -4.4942 -4.5916 PRESSURE: 191200 101.117 -28.0277 -34.6345 -28.0266 254.338 266.659 -34.6347 266.659 271.56 GPRESSURE: 191200 276.502 28.6907 -38.2117 14.2374 219.151 245.115 -207.074 338.992 200.868 PRESSAVG: 191200 -14.9509 -71.7994 50.6996 -71.7994 26.3475 27.7972 50.6995 27.7973 -4.94311 GPRESSAVG: 191200 -14.071 -71.5178 53.0957 -71.5532 24.3641 26.7164 47.4312 27.7776 -4.06009 TIMING: 191200 CPU: 601.924, 0.00315485/step Wall: 601.924, 0.00315485/step, 4.21418 hours remaining, 234.988281 MB of memory in use. ENERGY: 191200 4025.1411 20716.8160 14437.8444 265.7496 -203085.8605 2693.8782 0.0000 0.0000 52354.6300 -108591.8013 300.8828 -160946.4313 -108231.4614 300.9917 209.0049 232.1737 762455.4232 2.1512 2.0777 PRESSURE: 191400 -50.0255 -84.3881 -40.8386 -84.3884 20.2809 125.931 -40.8388 125.93 32.0968 GPRESSURE: 191400 -26.4886 -192.124 -48.2713 -94.9448 60.4462 171.225 -31.0033 71.7107 71.2625 PRESSAVG: 191400 -32.8977 -48.8556 14.601 -48.8556 15.7519 18.1932 14.601 18.1932 5.73882 GPRESSAVG: 191400 -33.5112 -47.9968 11.1713 -49.8206 16.344 19.1975 16.7647 17.1746 5.60445 TIMING: 191400 CPU: 602.551, 0.00313288/step Wall: 602.551, 0.00313287/step, 4.18465 hours remaining, 234.988281 MB of memory in use. ENERGY: 191400 4023.3547 20743.2271 14484.0254 263.5793 -202764.8178 2292.6136 0.0000 0.0000 52103.9514 -108854.0663 299.4421 -160958.0177 -108493.7137 300.7256 0.7841 35.0734 763067.3148 -3.8023 -3.8542 PRESSURE: 191600 -339.832 10.2459 -129.083 10.246 199.801 -103.677 -129.083 -103.678 110.511 GPRESSURE: 191600 -274.713 1.91503 -136.237 90.7766 300.372 -131.911 -129.857 -205.222 51.8776 PRESSAVG: 191600 19.1222 12.9742 -5.26728 12.9742 56.462 -48.5646 -5.2672 -48.5645 -12.9608 GPRESSAVG: 191600 20.4385 16.1731 -4.69472 12.0068 55.5582 -48.2871 -5.64439 -47.9289 -13.3774 TIMING: 191600 CPU: 603.177, 0.00313231/step Wall: 603.177, 0.00313231/step, 4.18372 hours remaining, 234.988281 MB of memory in use. ENERGY: 191600 4051.5134 20530.6507 14444.9199 245.8882 -202706.1401 2459.0129 0.0000 0.0000 52186.8024 -108787.3527 299.9183 -160974.1551 -108422.4326 300.5677 -9.8400 25.8457 762576.0026 20.8745 20.8731 PRESSURE: 191800 -31.5159 -18.4959 106.476 -18.4946 18.826 -454.457 106.475 -454.458 193.998 GPRESSURE: 191800 36.5219 40.6479 145.007 -17.0675 27.1477 -492.583 95.0368 -296.729 204.328 PRESSAVG: 191800 29.4862 -5.88222 19.8486 -5.8822 -24.2662 -25.0402 19.8487 -25.0402 15.4606 GPRESSAVG: 191800 29.2363 -9.5292 19.5155 -7.24536 -22.9316 -27.2746 21.8089 -25.5492 14.0457 TIMING: 191800 CPU: 603.805, 0.00313947/step Wall: 603.805, 0.00313947/step, 4.19311 hours remaining, 234.988281 MB of memory in use. ENERGY: 191800 4042.5359 20658.9902 14429.0417 253.8492 -203033.5016 2804.0945 0.0000 0.0000 52140.5339 -108704.4562 299.6524 -160844.9901 -108352.7254 300.7724 60.4361 89.3326 761987.3923 6.8935 6.7835 PRESSURE: 192000 -313.87 97.9791 -176.623 97.9794 -327.726 14.9841 -176.623 14.9835 -425.982 GPRESSURE: 192000 -269.725 42.6849 -198.339 168.021 -314.465 61.1991 -116.293 -18.146 -399.608 PRESSAVG: 192000 -2.33753 -50.4725 46.0223 -50.4724 -7.46818 -16.4694 46.0223 -16.4693 -9.40664 GPRESSAVG: 192000 -2.47491 -50.3488 46.4246 -47.7421 -9.46692 -15.5681 44.249 -15.1595 -7.06772 TIMING: 192000 CPU: 604.433, 0.00313867/step Wall: 604.433, 0.00313867/step, 4.19187 hours remaining, 234.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 192000 3970.0567 20631.4834 14515.9406 239.9193 -202854.9892 2313.3999 0.0000 0.0000 52630.0867 -108554.1027 302.4658 -161184.1894 -108182.7305 300.8821 -355.8593 -327.9325 763866.7027 -6.4041 -6.3365 PRESSURE: 192200 -524.68 67.9825 105.837 67.9817 -38.6175 -7.82352 105.837 -7.82309 -339.018 GPRESSURE: 192200 -468.922 43.0276 152.406 92.2039 -10.0402 9.78167 193.566 45.7592 -344.278 PRESSAVG: 192200 -41.9678 30.381 24.1166 30.381 84.4901 12.6037 24.1166 12.6037 8.09605 GPRESSAVG: 192200 -42.7926 30.8107 26.4105 29.2438 86.8307 12.2933 24.2115 12.4881 6.42241 TIMING: 192200 CPU: 605.066, 0.00316229/step Wall: 605.066, 0.00316229/step, 4.22324 hours remaining, 234.988281 MB of memory in use. ENERGY: 192200 4016.6046 20711.4541 14547.9183 240.6710 -202697.5749 2407.3692 0.0000 0.0000 52263.8270 -108509.7307 300.3609 -160773.5578 -108141.9180 301.6732 -300.7721 -274.4134 764354.9585 16.8728 16.8201 LDB: ============= START OF LOAD BALANCING ============== 617.517 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 617.517 LDB: =============== DONE WITH MIGRATION ================ 617.519 LDB: ============= START OF LOAD BALANCING ============== 617.833 LDB: Largest compute 7057 load 0.035872 is 18.4% of average load 0.194744 LDB: Average compute 0.004394 is 2.3% of average load 0.194744 LDB: TIME 617.836 LOAD: AVG 0.194744 MAX 0.209808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.301 MB LDB: TIME 617.837 LOAD: AVG 0.194744 MAX 0.209808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.504 MB LDB: TIME 617.837 LOAD: AVG 0.194744 MAX 0.209808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.504 MB LDB: ============== END OF LOAD BALANCING =============== 617.839 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 617.843 PRESSURE: 192400 -42.846 -94.1172 45.1274 -94.1173 240.688 216.746 45.1274 216.746 -163.457 GPRESSURE: 192400 -50.2064 -176.701 27.1952 71.8259 308.679 271.259 -50.1906 177.239 -129.465 PRESSAVG: 192400 -0.794476 -7.59538 13.2586 -7.59528 -30.1267 -30.5673 13.2586 -30.5674 10.5425 GPRESSAVG: 192400 -0.393593 -8.93935 12.7799 -5.59277 -30.335 -28.6231 14.6273 -31.3779 10.1176 TIMING: 192400 CPU: 605.708, 0.00320986/step Wall: 605.708, 0.00320986/step, 4.28659 hours remaining, 235.757812 MB of memory in use. ENERGY: 192400 3962.9958 20569.5526 14441.1704 246.5373 -203013.0941 2668.1662 0.0000 0.0000 52560.6519 -108564.0198 302.0668 -161124.6717 -108187.9726 301.3039 11.4619 43.0024 762776.9654 -6.7929 -6.8703 PRESSURE: 192600 -233.042 -268.62 -152.604 -268.62 143.953 -140.285 -152.605 -140.285 66.142 GPRESSURE: 192600 -134.801 -116.092 -169.804 -251.05 204.671 -97.2993 -127.246 -211.836 -5.75602 PRESSAVG: 192600 -51.5789 44.8939 -13.7214 44.8939 55.0961 -49.4432 -13.7215 -49.4432 -17.478 GPRESSAVG: 192600 -51.661 45.0154 -13.704 44.2292 56.5366 -49.5675 -16.6866 -50.0848 -18.6493 TIMING: 192600 CPU: 606.335, 0.00313632/step Wall: 606.335, 0.00313632/step, 4.1882 hours remaining, 235.757812 MB of memory in use. ENERGY: 192600 3955.8718 20522.9660 14442.4776 256.3095 -202781.5791 2498.2987 0.0000 0.0000 52303.6334 -108802.0221 300.5897 -161105.6555 -108428.6367 300.8361 -7.6488 21.3712 761806.8776 -4.6536 -4.5912 PRESSURE: 192800 -254.32 -54.4133 -0.82114 -54.4133 -70.4755 -126.737 -0.821706 -126.736 -283.788 GPRESSURE: 192800 -324.47 -25.1926 69.6924 -25.3066 -25.494 -104.154 61.4828 -164.701 -167.742 PRESSAVG: 192800 -50.7791 -41.6462 -24.0716 -41.6462 64.4567 -10.7713 -24.0716 -10.7713 -17.5799 GPRESSAVG: 192800 -50.4596 -40.4547 -24.8156 -43.4948 63.0028 -12.9164 -22.6157 -9.65601 -16.7024 TIMING: 192800 CPU: 606.962, 0.00313776/step Wall: 606.962, 0.00313776/step, 4.18996 hours remaining, 235.757812 MB of memory in use. ENERGY: 192800 4055.5425 20606.2560 14433.4120 246.1996 -203054.6630 2601.4021 0.0000 0.0000 52222.6013 -108889.2495 300.1240 -161111.8508 -108530.2797 300.0451 -202.8613 -172.5688 761836.1188 -1.3007 -1.3864 PRESSURE: 193000 -101.554 130.263 -35.2921 130.262 137.638 -161.787 -35.2926 -161.787 15.783 GPRESSURE: 193000 -123.59 38.5012 -17.6188 113.76 228.95 -159.052 87.2103 -31.6379 28.4037 PRESSAVG: 193000 -25.3008 -29.7563 -14.1111 -29.7563 84.593 -9.40434 -14.1111 -9.40438 9.41405 GPRESSAVG: 193000 -24.7878 -32.025 -13.6664 -27.6198 84.2427 -8.06169 -13.3108 -9.26285 9.11765 TIMING: 193000 CPU: 607.592, 0.00314665/step Wall: 607.592, 0.00314665/step, 4.20165 hours remaining, 235.757812 MB of memory in use. ENERGY: 193000 3999.3895 20670.9609 14393.6488 252.6017 -203068.5158 2595.1371 0.0000 0.0000 52414.1354 -108742.6423 301.2248 -161156.7778 -108383.5241 300.0084 17.2890 44.5879 762329.5640 22.9021 22.8575 PRESSURE: 193200 -533.089 30.6945 118.193 30.6944 -513.604 24.6331 118.193 24.6337 -172.696 GPRESSURE: 193200 -426.019 26.7032 -9.56912 38.1519 -496.211 77.4775 107.618 -91.1553 -239.332 PRESSAVG: 193200 -1.37828 -35.8733 -50.6993 -35.8733 7.77512 12.8017 -50.6992 12.8017 -20.8263 GPRESSAVG: 193200 -1.35317 -33.8451 -51.5625 -36.6202 8.20176 12.0748 -51.8504 10.4493 -20.8999 TIMING: 193200 CPU: 608.219, 0.00313742/step Wall: 608.219, 0.00313742/step, 4.18915 hours remaining, 235.757812 MB of memory in use. ENERGY: 193200 4017.2832 20740.8083 14460.5120 250.0531 -202799.3281 2299.4623 0.0000 0.0000 52159.0321 -108872.1771 299.7587 -161031.2092 -108511.7706 300.1013 -406.4631 -387.1875 762438.2898 -4.8098 -4.6838 PRESSURE: 193400 -299.44 35.14 -150.355 35.1399 -21.5039 14.1504 -150.355 14.1516 -465.081 GPRESSURE: 193400 -259.041 -13.2772 -187.834 69.2579 -2.8151 11.9831 -204.917 -12.3085 -442.851 PRESSAVG: 193400 -9.71704 -52.8395 -44.4301 -52.8394 4.93901 0.594055 -44.4301 0.594014 -3.79548 GPRESSAVG: 193400 -10.7395 -54.0011 -44.9021 -54.1323 5.28021 1.59156 -42.4842 3.56586 -3.32944 TIMING: 193400 CPU: 608.85, 0.00315284/step Wall: 608.85, 0.00315284/step, 4.20956 hours remaining, 235.757812 MB of memory in use. ENERGY: 193400 4004.7532 20469.5693 14387.3727 227.1609 -202897.2208 2687.3466 0.0000 0.0000 52079.9344 -109041.0839 299.3041 -161121.0183 -108686.8382 299.8617 -262.0083 -234.9024 764095.1181 -2.8578 -2.9296 PRESSURE: 193600 -358.652 -8.54442 35.946 -8.5434 18.5697 -11.6317 35.9466 -11.6312 180.673 GPRESSURE: 193600 -328.595 -100.517 8.52961 146.24 66.216 37.0591 58.5747 -59.9681 203.764 PRESSAVG: 193600 -54.5934 -76.2267 -4.79793 -76.2267 45.7084 0.173799 -4.79787 0.173865 30.6429 GPRESSAVG: 193600 -54.6355 -75.0666 -4.93639 -74.2252 45.3984 0.910877 -6.0911 -0.903304 30.5964 TIMING: 193600 CPU: 609.481, 0.00315643/step Wall: 609.481, 0.00315643/step, 4.21418 hours remaining, 235.757812 MB of memory in use. ENERGY: 193600 3939.4382 20614.3617 14516.3556 240.9517 -203156.5035 2603.5411 0.0000 0.0000 52186.0599 -109055.7954 299.9140 -161241.8552 -108693.6503 299.5852 -53.1365 -19.5383 762963.2816 7.2526 7.1197 PRESSURE: 193800 -291.998 -173.127 -94.4267 -173.127 -388.962 -251.301 -94.426 -251.301 -445.314 GPRESSURE: 193800 -281.756 -196.628 19.5944 -157.59 -288.389 -217.439 -160.866 -58.4675 -451.847 PRESSAVG: 193800 -33.2626 -20.3993 -38.5011 -20.3993 28.3323 -0.991872 -38.5011 -0.991937 -7.88834 GPRESSAVG: 193800 -33.3517 -21.611 -35.8467 -21.3699 28.4476 -2.53545 -40.0182 -1.04566 -8.42312 TIMING: 193800 CPU: 610.111, 0.00315107/step Wall: 610.111, 0.00315107/step, 4.20685 hours remaining, 235.757812 MB of memory in use. ENERGY: 193800 3929.0065 20605.3094 14531.0014 246.9824 -202957.1072 2297.1551 0.0000 0.0000 52288.7572 -109058.8953 300.5042 -161347.6525 -108697.5253 300.3364 -375.4246 -340.6639 760698.8589 -4.2729 -4.4424 PRESSURE: 194000 -337.454 -122.137 -79.0863 -122.138 -140.662 -16.3915 -79.0869 -16.3912 -104.595 GPRESSURE: 194000 -326.701 -199.236 -84.3399 -196.829 -71.4979 -61.9133 -109.204 -139.297 -118.352 PRESSAVG: 194000 -32.1007 -80.0006 -6.90932 -80.0005 25.1139 -16.0177 -6.90938 -16.0177 -27.5344 GPRESSAVG: 194000 -30.6968 -79.7906 -8.14157 -78.3115 23.578 -16.5721 -6.52875 -16.3591 -27.6783 TIMING: 194000 CPU: 610.742, 0.00315294/step Wall: 610.742, 0.00315294/step, 4.20917 hours remaining, 235.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 194000 4071.6622 20486.5692 14476.4199 236.1770 -202614.5930 2155.8603 0.0000 0.0000 52126.7686 -109061.1357 299.5733 -161187.9043 -108698.5817 299.9611 -194.2371 -172.1838 762786.7384 -11.5071 -11.5991 PRESSURE: 194200 422.213 131.271 5.53538 131.27 -38.0015 171.51 5.5337 171.511 92.9843 GPRESSURE: 194200 420.173 44.4502 53.0835 131.28 -64.6972 256.999 -59.247 39.2682 199.196 PRESSAVG: 194200 -9.0308 -59.1806 -36.3912 -59.1806 20.3715 19.5947 -36.3912 19.5947 3.58916 GPRESSAVG: 194200 -10.9814 -58.3315 -36.3835 -58.2944 21.7316 18.9968 -35.6579 20.3759 4.44562 TIMING: 194200 CPU: 611.376, 0.00317191/step Wall: 611.376, 0.00317191/step, 4.23432 hours remaining, 235.757812 MB of memory in use. ENERGY: 194200 3954.8761 20770.4842 14554.8502 263.5133 -203318.6889 2562.3682 0.0000 0.0000 52222.5877 -108990.0093 300.1239 -161212.5969 -108630.1827 300.0456 159.0654 184.8905 760253.9768 4.9766 5.0653 PRESSURE: 194400 350.22 33.9467 -98.2497 33.9465 114.701 20.2839 -98.2495 20.2841 97.6259 GPRESSURE: 194400 431.659 32.0508 -104.746 25.1324 35.6343 -47.4068 -100.105 -25.6299 180.15 PRESSAVG: 194400 -0.982851 -49.0849 -2.9785 -49.0848 42.3758 -4.35973 -2.97849 -4.35978 -17.7722 GPRESSAVG: 194400 -0.533038 -48.2674 -2.73335 -51.4296 41.5196 -4.1659 -3.14873 -3.6047 -18.322 TIMING: 194400 CPU: 612.009, 0.00316552/step Wall: 612.009, 0.00316552/step, 4.22562 hours remaining, 235.757812 MB of memory in use. ENERGY: 194400 3919.0148 20634.3238 14552.2555 235.6580 -202810.3523 2353.9238 0.0000 0.0000 52388.8487 -108726.3279 301.0794 -161115.1766 -108358.6688 300.5191 187.5158 215.8144 761481.5571 7.8736 7.5548 PRESSURE: 194600 49.5537 -57.8747 224.05 -57.8746 302.54 -269.676 224.05 -269.676 -466.156 GPRESSURE: 194600 81.782 -54.6727 204.591 -65.2384 350.422 -297.867 120.385 -322.217 -455.538 PRESSAVG: 194600 13.9152 -56.441 24.6697 -56.4409 -7.75354 -26.5209 24.6697 -26.5209 29.4067 GPRESSAVG: 194600 14.5517 -57.2231 25.521 -56.4254 -8.02664 -25.275 24.2335 -28.6199 29.2948 TIMING: 194600 CPU: 612.639, 0.00314769/step Wall: 612.639, 0.00314768/step, 4.20163 hours remaining, 235.757812 MB of memory in use. ENERGY: 194600 4038.3894 20701.5668 14445.9942 240.5245 -202791.6835 2679.0540 0.0000 0.0000 51867.3693 -108818.7853 298.0825 -160686.1546 -108450.8905 300.2928 -38.0207 -7.7780 763086.6124 11.8561 11.9399 PRESSURE: 194800 40.0665 7.38065 -10.0819 7.3809 72.9492 115.227 -10.0825 115.227 92.0467 GPRESSURE: 194800 147.258 18.2271 25.3531 -1.75489 128.091 89.7803 16.9914 63.5294 -6.39706 PRESSAVG: 194800 -12.2345 -22.7124 18.0267 -22.7124 -11.1647 5.59425 18.0267 5.59426 -9.15252 GPRESSAVG: 194800 -12.8013 -23.5067 19.282 -23.5258 -10.8776 5.7488 18.1523 5.5 -9.12193 TIMING: 194800 CPU: 613.27, 0.00315609/step Wall: 613.27, 0.00315609/step, 4.21268 hours remaining, 235.757812 MB of memory in use. ENERGY: 194800 4012.4560 20614.1031 14505.9484 246.9975 -203247.3085 2594.0049 0.0000 0.0000 52348.3021 -108925.4965 300.8464 -161273.7986 -108558.6991 299.9007 68.3541 89.6505 762433.9738 -10.8506 -10.9336 PRESSURE: 195000 -41.1253 -77.1468 101.226 -77.1465 157.761 -38.3785 101.226 -38.3775 9.52989 GPRESSURE: 195000 30.8163 -212.177 11.1905 -45.1725 149.145 9.69267 -57.5866 -12.4815 28.8675 PRESSAVG: 195000 -16.0329 -22.1069 -34.4203 -22.1068 31.6228 37.6408 -34.4204 37.6409 15.1516 GPRESSAVG: 195000 -16.6574 -21.9436 -36.215 -21.8301 31.2549 36.8825 -34.5637 39.9928 15.4529 TIMING: 195000 CPU: 613.898, 0.00313909/step Wall: 613.898, 0.00313909/step, 4.18982 hours remaining, 235.757812 MB of memory in use. ENERGY: 195000 4038.9135 20636.9122 14524.4268 246.4758 -203145.8844 2828.8674 0.0000 0.0000 51835.6634 -109034.6253 297.9003 -160870.2887 -108693.2940 300.2804 42.0551 69.6097 762078.7977 10.2472 10.0168 PRESSURE: 195200 -164.949 -91.8439 -96.4299 -91.8453 73.9984 12.1913 -96.4299 12.1919 -306.529 GPRESSURE: 195200 -106.854 -56.7151 -56.5134 -62.9484 59.3202 2.08247 -12.8837 -2.16619 -285.332 PRESSAVG: 195200 -45.9046 -43.371 -28.7185 -43.3709 39.0887 7.17887 -28.7185 7.17891 -24.971 GPRESSAVG: 195200 -44.9691 -44.6079 -29.1441 -42.0804 38.9266 7.09934 -26.4901 4.01926 -25.9693 TIMING: 195200 CPU: 614.529, 0.00315683/step Wall: 614.529, 0.00315683/step, 4.21332 hours remaining, 235.757812 MB of memory in use. ENERGY: 195200 3989.7210 20535.8864 14537.5794 238.7550 -202959.3312 2117.9027 0.0000 0.0000 52274.1931 -109265.2936 300.4205 -161539.4867 -108914.0763 299.9520 -132.4931 -110.9551 762951.2328 -10.5956 -10.6706 PRESSURE: 195400 92.8962 -165.993 -247.248 -165.992 243.457 216.858 -247.248 216.859 463.051 GPRESSURE: 195400 158.82 -269.423 -208.988 -64.2451 219.421 180.495 -233.084 256.684 497.462 PRESSAVG: 195400 18.5382 -35.975 -14.9437 -35.9751 -32.4212 49.8089 -14.9437 49.8088 15.3933 GPRESSAVG: 195400 17.6635 -34.3558 -14.098 -37.9744 -32.4201 48.1385 -17.3075 51.7306 15.9788 TIMING: 195400 CPU: 615.159, 0.00315034/step Wall: 615.159, 0.00315034/step, 4.20448 hours remaining, 235.757812 MB of memory in use. ENERGY: 195400 3994.5908 20632.1695 14476.4531 247.3772 -202876.8142 2176.4982 0.0000 0.0000 52047.6386 -109302.0868 299.1185 -161349.7254 -108946.1612 299.4442 266.4683 291.9009 760586.6069 0.5034 0.4074 PRESSURE: 195600 -113.695 -180.42 -137.003 -180.418 194.887 49.6049 -137.003 49.6053 356.542 GPRESSURE: 195600 -16.7546 -91.5377 -80.0801 -276.061 250.082 78.655 -111.913 31.707 318.445 PRESSAVG: 195600 -53.3951 -0.0994777 36.8426 -0.0994484 53.0053 11.286 36.8426 11.286 1.0321 GPRESSAVG: 195600 -54.6681 -1.68671 35.713 0.371545 54.0451 12.7317 37.1291 12.2699 1.2837 TIMING: 195600 CPU: 615.794, 0.00317538/step Wall: 615.794, 0.00317538/step, 4.23772 hours remaining, 235.757812 MB of memory in use. ENERGY: 195600 3983.6436 20342.1995 14415.9982 253.9819 -203020.5671 2582.8702 0.0000 0.0000 52154.0274 -109287.8463 299.7299 -161441.8737 -108928.8570 299.1547 145.9113 183.9240 761551.7311 0.2141 0.2202 PRESSURE: 195800 -239.987 -18.9139 -78.8132 -18.9136 137.043 -145.396 -78.8142 -145.394 -14.2628 GPRESSURE: 195800 -134.374 -40.2701 -53.6253 68.8258 161.919 -138.568 3.52103 -137.644 -60.5454 PRESSAVG: 195800 6.57538 -54.087 -19.5215 -54.087 52.0489 57.5886 -19.5215 57.5887 -12.9513 GPRESSAVG: 195800 6.70283 -51.1575 -20.2295 -54.0445 52.1656 57.7008 -18.1907 58.7734 -13.4076 TIMING: 195800 CPU: 616.423, 0.00314095/step Wall: 616.423, 0.00314095/step, 4.1916 hours remaining, 235.757812 MB of memory in use. ENERGY: 195800 3969.0119 20395.8814 14524.8401 261.8067 -202778.3590 2036.5868 0.0000 0.0000 52110.7498 -109479.4823 299.4812 -161590.2321 -109103.5711 299.2398 -39.0689 -11.0002 762656.2835 15.2243 15.1536 PRESSURE: 196000 -311.999 130.477 -171.824 130.478 -67.0474 20.2764 -171.824 20.2781 79.5313 GPRESSURE: 196000 -169.072 71.6956 -163.314 57.5856 -120.324 2.58785 -98.3157 -62.3432 66.1096 PRESSAVG: 196000 -33.1306 -42.1022 -16.4464 -42.1022 61.6548 -28.5758 -16.4464 -28.5757 -8.70765 GPRESSAVG: 196000 -32.2408 -43.2449 -14.4701 -42.8441 59.7392 -29.9928 -17.2734 -28.3663 -7.55633 TIMING: 196000 CPU: 617.053, 0.00314984/step Wall: 617.053, 0.00314984/step, 4.20329 hours remaining, 235.757812 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: 196000 3967.5077 20356.6888 14465.3571 248.2328 -203196.4160 2234.8274 0.0000 0.0000 52440.6003 -109483.2019 301.3769 -161923.8022 -109119.9568 299.0718 -99.8385 -74.4288 761410.9008 6.6055 6.6473 PRESSURE: 196200 190.318 23.2794 -56.5316 23.2798 -354.741 -36.6713 -56.5325 -36.6705 -181.444 GPRESSURE: 196200 153.643 64.8415 15.9353 132.412 -280.594 -160.982 -18.6386 8.81915 -135.715 PRESSAVG: 196200 24.2356 -29.5782 14.49 -29.5782 -26.2606 -22.4202 14.49 -22.4202 -3.4277 GPRESSAVG: 196200 23.8312 -29.4563 14.7051 -28.8197 -24.9766 -20.9107 13.9076 -25.7589 -4.19674 TIMING: 196200 CPU: 617.679, 0.00313268/step Wall: 617.679, 0.00313268/step, 4.18022 hours remaining, 235.757812 MB of memory in use. ENERGY: 196200 3957.5887 20431.9221 14502.7626 253.5412 -202955.1250 2375.0739 0.0000 0.0000 51895.6014 -109538.6351 298.2447 -161434.2365 -109178.4813 298.7468 -115.2890 -87.5553 762042.2942 -1.8176 -1.7807 LDB: ============= START OF LOAD BALANCING ============== 630.13 LDB: ============== END OF LOAD BALANCING =============== 630.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 630.132 LDB: ============= START OF LOAD BALANCING ============== 630.446 LDB: Largest compute 7076 load 0.034465 is 17.7% of average load 0.194835 LDB: Average compute 0.004379 is 2.2% of average load 0.194835 LDB: TIME 630.449 LOAD: AVG 0.194835 MAX 0.210427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 630.449 LOAD: AVG 0.194835 MAX 0.210427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: TIME 630.45 LOAD: AVG 0.194835 MAX 0.210427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: ============== END OF LOAD BALANCING =============== 630.451 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 630.456 PRESSURE: 196400 44.5889 -108.875 151.722 -108.876 213.566 -222.338 151.722 -222.338 -258.819 GPRESSURE: 196400 104.614 7.5468 98.8768 -180.442 173.088 -173.747 181.021 -195.336 -211.503 PRESSAVG: 196400 19.6097 -32.0966 -35.3134 -32.0967 17.9909 -51.9674 -35.3135 -51.9674 6.72772 GPRESSAVG: 196400 19.7071 -34.5663 -36.3151 -34.1768 17.6139 -51.352 -34.8563 -50.773 6.50593 TIMING: 196400 CPU: 618.32, 0.00320576/step Wall: 618.32, 0.00320576/step, 4.27755 hours remaining, 235.554688 MB of memory in use. ENERGY: 196400 4002.1098 20307.1283 14413.7071 245.1379 -203329.6135 2515.8133 0.0000 0.0000 52196.7349 -109648.9822 299.9754 -161845.7171 -109286.2024 298.8130 -0.2214 22.0666 762257.0133 14.7761 14.6090 PRESSURE: 196600 48.7037 -211.067 -82.5873 -211.067 -195.628 -171.822 -82.5874 -171.822 79.742 GPRESSURE: 196600 33.4766 -166.446 -53.7033 -288.436 -76.6957 -77.4892 -190.682 -225.201 42.0097 PRESSAVG: 196600 -15.3882 -94.6689 4.32645 -94.6689 17.0721 -12.8432 4.32642 -12.8432 -0.90132 GPRESSAVG: 196600 -16.9174 -92.5305 4.22607 -92.2429 18.0309 -12.8136 2.95362 -11.7309 0.163282 TIMING: 196600 CPU: 618.949, 0.00314378/step Wall: 618.949, 0.00314378/step, 4.19468 hours remaining, 235.554688 MB of memory in use. ENERGY: 196600 4024.9731 20573.3434 14426.8928 244.3639 -202960.5771 2238.5357 0.0000 0.0000 51973.2797 -109479.1884 298.6912 -161452.4681 -109115.4001 298.4872 -22.3941 -0.4031 762521.0964 0.2608 0.4256 PRESSURE: 196800 36.1326 -9.7245 208.468 -9.72514 110.814 405.981 208.468 405.981 -97.1859 GPRESSURE: 196800 123.237 89.8472 205.478 -35.3282 125.156 395.256 141.585 281.823 -112.385 PRESSAVG: 196800 -7.15291 -26.7777 13.7972 -26.7777 3.81606 47.5164 13.7972 47.5164 -11.5774 GPRESSAVG: 196800 -5.99964 -25.5599 12.7638 -27.5593 4.00114 47.4422 14.4247 45.7771 -12.6825 TIMING: 196800 CPU: 619.58, 0.00315613/step Wall: 619.58, 0.00315613/step, 4.21097 hours remaining, 235.554688 MB of memory in use. ENERGY: 196800 4050.5955 20394.5739 14429.7042 248.0843 -203168.2418 2455.9030 0.0000 0.0000 52107.3849 -109481.9961 299.4619 -161589.3810 -109118.3819 298.4314 16.5871 45.3357 762912.0921 -4.9714 -4.8937 PRESSURE: 197000 -265.54 50.0169 180.825 50.0162 63.3432 24.0692 180.825 24.0689 -54.6126 GPRESSURE: 197000 -172.387 126.588 160.927 11.3306 100.35 -107.314 182.263 101.948 -117.779 PRESSAVG: 197000 -33.0766 21.6696 11.014 21.6696 20.7588 24.2869 11.014 24.2868 -2.90692 GPRESSAVG: 197000 -33.8076 20.2304 12.4892 21.7571 19.7473 22.987 9.39362 24.9918 -1.48349 TIMING: 197000 CPU: 620.209, 0.00314526/step Wall: 620.209, 0.00314526/step, 4.1963 hours remaining, 235.554688 MB of memory in use. ENERGY: 197000 3932.6451 20429.1400 14519.1626 232.6734 -202745.0981 2219.2270 0.0000 0.0000 51957.1540 -109455.0961 298.5985 -161412.2501 -109099.6715 298.5413 -85.6033 -63.2718 763106.0683 -5.0749 -5.1813 PRESSURE: 197200 -47.8989 -19.558 -96.5409 -19.5582 199.425 -96.0798 -96.5411 -96.08 168.896 GPRESSURE: 197200 -5.4526 -82.3526 -100.172 116.156 198.468 -49.2135 -14.0304 -145.795 215.995 PRESSAVG: 197200 1.90791 -20.0692 -41.7498 -20.0693 9.99506 46.6644 -41.7497 46.6643 6.37006 GPRESSAVG: 197200 2.63587 -20.741 -42.1966 -18.053 10.7898 47.2161 -41.3345 47.4122 4.67263 TIMING: 197200 CPU: 620.839, 0.00314655/step Wall: 620.839, 0.00314655/step, 4.19785 hours remaining, 235.554688 MB of memory in use. ENERGY: 197200 3992.0580 20539.8233 14432.4298 257.4123 -203276.2561 2742.1527 0.0000 0.0000 51969.9145 -109342.4655 298.6718 -161312.3800 -108986.5604 299.1164 106.8070 136.3370 762963.6977 6.0910 6.0328 PRESSURE: 197400 -33.0039 30.3697 306.977 30.3696 201.374 162.451 306.978 162.451 -388.19 GPRESSURE: 197400 -26.9122 -11.5261 276.422 -75.644 216.147 132.538 225.612 24.0376 -305.094 PRESSAVG: 197400 13.2414 -45.9148 27.46 -45.9148 -57.0169 14.9311 27.46 14.9311 8.11274 GPRESSAVG: 197400 13.025 -46.3394 26.3996 -47.4914 -57.2832 13.1974 29.3441 16.4377 8.07661 TIMING: 197400 CPU: 621.469, 0.00315059/step Wall: 621.469, 0.00315059/step, 4.20306 hours remaining, 235.554688 MB of memory in use. ENERGY: 197400 4065.3908 20461.7351 14435.3586 248.3689 -203132.7900 2574.0467 0.0000 0.0000 52178.4439 -109169.4461 299.8702 -161347.8900 -108814.7359 299.5685 -73.2731 -38.6194 762222.5933 -11.8876 -12.0605 PRESSURE: 197600 -216.726 -154.864 -34.3493 -154.863 122.673 254.669 -34.3485 254.669 -129.931 GPRESSURE: 197600 -154.291 -118.526 -18.1774 -81.8295 118.483 100.415 43.2215 326.068 -80.3692 PRESSAVG: 197600 47.2184 -49.0644 -10.7985 -49.0643 -0.830605 52.4436 -10.7985 52.4436 -25.3665 GPRESSAVG: 197600 49.4628 -48.5317 -8.53384 -49.2143 -2.85072 52.9868 -13.2271 50.1262 -25.4293 TIMING: 197600 CPU: 622.1, 0.00315456/step Wall: 622.1, 0.00315456/step, 4.20818 hours remaining, 235.554688 MB of memory in use. ENERGY: 197600 3996.1949 20429.9794 14499.3782 247.7766 -202952.8535 2367.1964 0.0000 0.0000 52278.2895 -109134.0384 300.4440 -161412.3280 -108769.9549 299.6834 -74.6614 -38.7257 761548.1309 7.0071 7.0609 PRESSURE: 197800 -120.588 49.1796 -59.3285 49.18 -87.1093 208.477 -59.3283 208.477 -365.705 GPRESSURE: 197800 -84.2574 -26.4366 6.64149 65.0239 19.0077 144.998 -18.3921 288.893 -416.936 PRESSAVG: 197800 -30.9792 -55.7289 33.6183 -55.7289 24.1721 30.0565 33.6183 30.0566 6.39325 GPRESSAVG: 197800 -32.5503 -56.35 32.6465 -58.1107 24.9916 32.0518 36.1516 32.8626 7.15531 TIMING: 197800 CPU: 622.727, 0.00313736/step Wall: 622.727, 0.00313736/step, 4.18506 hours remaining, 235.554688 MB of memory in use. ENERGY: 197800 4029.9596 20588.2134 14499.0724 247.6721 -203174.4421 2492.9435 0.0000 0.0000 52187.4343 -109129.1468 299.9219 -161316.5811 -108763.1056 299.8249 -191.1339 -160.7285 761734.1186 -0.1380 -0.1345 PRESSURE: 198000 187.568 120.97 -26.038 120.97 197.038 -148.482 -26.0386 -148.481 334.147 GPRESSURE: 198000 217.417 190.289 -52.4884 160.822 203.818 -69.7192 -45.0722 -152.464 386.017 PRESSAVG: 198000 -11.1543 -9.84825 45.0191 -9.84827 -36.4533 27.93 45.0191 27.93 -10.136 GPRESSAVG: 198000 -11.9822 -10.0611 46.0902 -7.2935 -35.8962 26.4551 44.2903 26.2473 -9.69806 TIMING: 198000 CPU: 623.357, 0.00314714/step Wall: 623.357, 0.00314714/step, 4.19793 hours remaining, 235.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 198000 4018.5581 20509.4392 14420.1137 234.4208 -203338.7467 2764.0193 0.0000 0.0000 52166.3773 -109225.8183 299.8009 -161392.1956 -108853.1905 299.2432 239.5841 269.0842 763259.4714 -19.2479 -19.1922 PRESSURE: 198200 -2.43377 -1.80919 35.5368 -1.80891 -469.484 97.8027 35.5374 97.8029 -307.082 GPRESSURE: 198200 72.6374 -5.5469 -60.2547 72.1523 -456.391 63.1772 61.4262 186.556 -316.136 PRESSAVG: 198200 -25.3968 11.205 -56.57 11.205 2.95439 10.247 -56.5699 10.2471 0.0822343 GPRESSAVG: 198200 -25.565 12.0426 -56.7645 12.2986 3.34555 8.75154 -56.2881 10.1945 -0.283387 TIMING: 198200 CPU: 623.987, 0.00315359/step Wall: 623.987, 0.00315359/step, 4.20636 hours remaining, 235.554688 MB of memory in use. ENERGY: 198200 4112.2177 20588.3511 14446.9778 263.0448 -203255.9876 2566.0045 0.0000 0.0000 51995.5041 -109283.8877 298.8189 -161279.3918 -108930.5291 299.5929 -259.6666 -233.2967 762948.6818 -7.4534 -7.5010 PRESSURE: 198400 75.2089 -165.083 15.8093 -165.084 31.4456 33.5657 15.8075 33.5651 366.602 GPRESSURE: 198400 154.666 -59.2928 127.321 -258.642 -29.3219 18.8483 0.178835 136.262 420.716 PRESSAVG: 198400 32.3859 -56.4247 -1.24726 -56.4247 -18.8231 38.4179 -1.24727 38.4179 -4.18566 GPRESSAVG: 198400 34.2978 -56.2272 -1.70475 -58.2135 -19.7253 39.9084 -0.373894 39.5421 -5.55624 TIMING: 198400 CPU: 624.616, 0.00314596/step Wall: 624.616, 0.00314596/step, 4.19602 hours remaining, 235.554688 MB of memory in use. ENERGY: 198400 3966.0845 20774.7062 14429.1908 261.5364 -203415.4185 2624.9486 0.0000 0.0000 52226.9369 -109132.0151 300.1489 -161358.9520 -108773.9657 299.6433 157.7520 182.0200 763323.8346 3.1257 3.0054 PRESSURE: 198600 -116.677 164.144 33.7601 164.145 -10.8931 154.482 33.7594 154.483 -413.337 GPRESSURE: 198600 -57.5969 46.3355 58.9332 202.573 23.9094 114.662 142.24 109.248 -419.857 PRESSAVG: 198600 -43.5305 -19.9597 -4.78647 -19.9598 28.4522 23.8139 -4.78643 23.8139 -12.8403 GPRESSAVG: 198600 -44.847 -21.7185 -4.63254 -18.3235 28.9514 23.7032 -5.8784 23.6439 -11.7935 TIMING: 198600 CPU: 625.245, 0.00314504/step Wall: 625.245, 0.00314504/step, 4.19461 hours remaining, 235.554688 MB of memory in use. ENERGY: 198600 4048.3704 20553.5972 14439.9374 255.7832 -203138.2716 2481.7238 0.0000 0.0000 52081.1949 -109277.6648 299.3113 -161358.8596 -108909.7494 299.7887 -180.3023 -151.1815 762157.0370 -9.3062 -9.2297 PRESSURE: 198800 -121.413 -130.264 241.706 -130.264 172.489 51.8826 241.707 51.8825 -387.025 GPRESSURE: 198800 -153.672 -222.607 257.694 -195.075 257.24 61.322 282.891 100.33 -329.389 PRESSAVG: 198800 -29.6184 -44.437 -8.90559 -44.4369 62.7714 -2.94493 -8.90549 -2.94495 7.10047 GPRESSAVG: 198800 -29.7237 -44.8308 -8.70878 -44.8392 62.9022 -2.44937 -9.33018 -1.43736 6.99421 TIMING: 198800 CPU: 625.873, 0.0031371/step Wall: 625.873, 0.0031371/step, 4.18385 hours remaining, 235.554688 MB of memory in use. ENERGY: 198800 4027.5503 20692.2993 14450.4925 230.0484 -203364.7120 2871.3810 0.0000 0.0000 51878.1594 -109214.7811 298.1445 -161092.9405 -108867.5364 299.9270 -111.9831 -75.2734 762897.8803 13.4178 13.3909 PRESSURE: 199000 -132.369 -106.557 -55.1599 -106.557 -255.638 181.994 -55.1602 181.993 -134.059 GPRESSURE: 199000 -158.022 -58.2026 7.84541 -81.7677 -218.957 82.9109 -115.666 170.62 -62.6772 PRESSAVG: 199000 -49.824 -7.94537 49.9012 -7.94542 -10.6268 -13.7432 49.9012 -13.7431 -3.54221 GPRESSAVG: 199000 -50.507 -8.78434 49.8579 -7.13991 -10.1857 -12.8838 48.8828 -15.7977 -3.63386 TIMING: 199000 CPU: 626.499, 0.00313117/step Wall: 626.499, 0.00313117/step, 4.17576 hours remaining, 235.554688 MB of memory in use. ENERGY: 199000 4039.9034 20626.0785 14415.7149 246.4206 -203197.3948 2678.5926 0.0000 0.0000 52023.5516 -109167.1331 298.9801 -161190.6848 -108816.6134 299.6170 -174.0219 -146.5519 762548.2835 -21.3310 -21.4422 PRESSURE: 199200 315.615 -217.645 -225.9 -217.645 485.845 399.502 -225.9 399.502 233.053 GPRESSURE: 199200 467.849 -229.566 -183.135 -316.017 394.945 360.265 -209.825 341.391 242.333 PRESSAVG: 199200 -4.59477 1.48467 4.88185 1.48469 6.35601 6.83804 4.88185 6.83803 7.31297 GPRESSAVG: 199200 -3.38036 2.91856 3.66496 -0.340438 5.7565 5.91574 5.12011 7.63259 7.00178 TIMING: 199200 CPU: 627.127, 0.003138/step Wall: 627.127, 0.003138/step, 4.1847 hours remaining, 235.554688 MB of memory in use. ENERGY: 199200 3877.4182 20595.5068 14417.0082 238.8606 -203000.6308 2573.0322 0.0000 0.0000 52215.9048 -109082.9000 300.0855 -161298.8048 -108711.5475 300.1245 344.8376 368.3757 760561.4080 3.0247 3.1260 PRESSURE: 199400 -1.32636 -24.4198 -182.107 -24.4195 -2.78342 -169.303 -182.108 -169.303 -291.708 GPRESSURE: 199400 -53.874 -39.0774 -138.143 6.81689 87.588 -202.923 -95.8632 -96.5146 -242.912 PRESSAVG: 199400 16.5922 -88.5219 38.6299 -88.5219 7.07153 12.9984 38.63 12.9984 -1.63315 GPRESSAVG: 199400 16.2774 -89.2273 39.7672 -88.2068 6.02881 14.029 39.9847 10.5504 0.400932 TIMING: 199400 CPU: 627.755, 0.00313911/step Wall: 627.755, 0.00313911/step, 4.186 hours remaining, 235.554688 MB of memory in use. ENERGY: 199400 3895.7496 20624.5355 14398.2104 240.0444 -202978.4092 2191.0628 0.0000 0.0000 52420.6376 -109208.1687 301.2621 -161628.8064 -108850.7011 300.0923 -98.6059 -69.7327 762200.6014 7.3435 7.5691 PRESSURE: 199600 -175.611 -9.54311 163.048 -9.54261 -172.678 -180.555 163.048 -180.556 -162.651 GPRESSURE: 199600 -175.564 82.7933 217.183 -45.5548 -190.196 -124.698 295.549 -236.874 -75.9858 PRESSAVG: 199600 2.47273 -0.45463 19.2216 -0.454636 18.6457 -20.7612 19.2216 -20.7612 -3.38497 GPRESSAVG: 199600 1.92193 -0.419598 19.988 1.14733 20.4761 -21.2672 18.3338 -19.6456 -4.37647 TIMING: 199600 CPU: 628.382, 0.00313834/step Wall: 628.382, 0.00313834/step, 4.18481 hours remaining, 235.554688 MB of memory in use. ENERGY: 199600 4007.2264 20754.4611 14393.1567 227.7672 -202982.8041 2248.0798 0.0000 0.0000 52094.7057 -109257.4071 299.3890 -161352.1129 -108905.9664 299.8399 -170.3136 -147.2489 763226.6653 5.9112 6.0072 PRESSURE: 199800 134.154 -165.961 64.6979 -165.961 -61.1045 -87.9126 64.6986 -87.9141 50.4344 GPRESSURE: 199800 166.84 -227.169 85.2249 -87.1696 -13.3061 -95.6442 -5.25272 -124.006 45.3631 PRESSAVG: 199800 -25.8879 -37.1003 -31.6643 -37.1003 35.4862 -28.5972 -31.6643 -28.5971 8.50827 GPRESSAVG: 199800 -24.9439 -36.1798 -32.5586 -37.3399 34.8672 -28.123 -33.8647 -28.5998 8.47038 TIMING: 199800 CPU: 629.005, 0.00311494/step Wall: 629.005, 0.00311494/step, 4.15343 hours remaining, 235.554688 MB of memory in use. ENERGY: 199800 4010.5836 20737.8768 14395.7085 247.7045 -203450.7403 2546.3217 0.0000 0.0000 52058.1579 -109454.3874 299.1789 -161512.5452 -109099.3920 299.1612 41.1614 66.2991 762671.8795 6.0355 6.1312 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.011 seconds, 235.555 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.005 seconds, 235.555 MB of memory in use PRESSURE: 200000 172.766 -108.993 -11.7963 -108.993 -386.2 29.3939 -11.797 29.3932 -16.3297 GPRESSURE: 200000 140.846 -37.9676 -36.5334 -78.744 -275.027 -56.0645 34.9342 127.485 -34.5664 PRESSAVG: 200000 -2.61963 -25.5207 -37.4189 -25.5207 25.7991 17.5181 -37.419 17.5182 3.82956 GPRESSAVG: 200000 -2.32165 -26.149 -38.2223 -25.5904 25.406 18.3844 -35.2418 16.2577 4.00595 TIMING: 200000 CPU: 629.656, 0.00325199/step Wall: 629.656, 0.00325199/step, 4.33598 hours remaining, 235.558594 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: 200000 3995.4481 20493.4108 14505.8536 242.8202 -203279.9565 2564.5116 0.0000 0.0000 52006.2022 -109471.7099 298.8804 -161477.9122 -109110.7180 299.4952 -76.5879 -56.2493 762907.5047 9.0030 9.0301 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 PRESSURE: 200200 -168.614 -174.31 221.271 -174.311 -102.651 274.338 221.271 274.337 -159.839 GPRESSURE: 200200 -72.8052 -163.462 213.518 -182.049 -159.046 286.125 175.333 198.432 -112.462 PRESSAVG: 200200 45.1437 0.152856 -36.2111 0.152812 -24.0822 55.2282 -36.2111 55.2283 -6.00646 GPRESSAVG: 200200 44.5266 -0.355231 -34.8719 -0.388123 -23.4848 55.9687 -36.6059 56.2254 -5.21957 TIMING: 200200 CPU: 630.287, 0.00315539/step Wall: 630.287, 0.00315539/step, 4.20701 hours remaining, 235.558594 MB of memory in use. ENERGY: 200200 4034.1812 20433.5292 14477.8623 270.8746 -203362.8330 2627.5028 0.0000 0.0000 52000.5470 -109518.3358 298.8479 -161518.8829 -109154.5319 299.1760 -143.7017 -114.7712 762496.5759 5.0184 5.2741 LDB: ============= START OF LOAD BALANCING ============== 642.738 LDB: ============== END OF LOAD BALANCING =============== 642.738 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 642.739 LDB: ============= START OF LOAD BALANCING ============== 643.055 LDB: Largest compute 7059 load 0.034593 is 17.8% of average load 0.194879 LDB: Average compute 0.004379 is 2.2% of average load 0.194879 LDB: TIME 643.058 LOAD: AVG 0.194879 MAX 0.210791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 643.059 LOAD: AVG 0.194879 MAX 0.210791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 643.059 LOAD: AVG 0.194879 MAX 0.210791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 643.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 643.065 PRESSURE: 200400 0.553327 138.697 -111.991 138.696 211.757 -21.5703 -111.992 -21.5713 140.862 GPRESSURE: 200400 11.7497 194.677 -78.1736 61.0879 349.105 -39.74 -338.78 17.6738 88.6074 PRESSAVG: 200400 -11.5562 -58.6934 -48.6039 -58.6934 14.679 -67.0222 -48.604 -67.0222 -17.684 GPRESSAVG: 200400 -10.4704 -57.5793 -46.6724 -59.3017 14.128 -69.098 -51.5714 -67.0591 -18.1425 TIMING: 200400 CPU: 630.929, 0.00321389/step Wall: 630.929, 0.00321389/step, 4.28483 hours remaining, 234.335938 MB of memory in use. ENERGY: 200400 4005.0281 20466.2694 14493.9769 247.1554 -203278.7091 2633.7428 0.0000 0.0000 51925.9666 -109506.5699 298.4192 -161432.5365 -109144.9408 299.2927 117.7239 149.8208 761002.6098 -4.8537 -4.8283 PRESSURE: 200600 -52.3766 81.5554 170.008 81.5562 320.144 -5.65792 170.008 -5.65745 -0.736929 GPRESSURE: 200600 9.81158 -18.6882 132.367 71.8629 352.194 45.3071 119.943 -23.4321 -8.32607 PRESSAVG: 200600 51.495 -55.5195 -78.4479 -55.5195 -9.15116 -60.9068 -78.448 -60.9068 16.2674 GPRESSAVG: 200600 50.6251 -56.4856 -79.9634 -54.4048 -8.97464 -59.9018 -78.3252 -59.9069 16.6268 TIMING: 200600 CPU: 631.555, 0.00312711/step Wall: 631.555, 0.00312711/step, 4.16895 hours remaining, 234.335938 MB of memory in use. ENERGY: 200600 3974.7969 20624.6746 14477.9476 261.0014 -203437.3950 2522.7751 0.0000 0.0000 51973.0053 -109603.1942 298.6896 -161576.1995 -109236.9648 299.3418 89.0101 117.8931 761056.4412 19.5371 19.4257 PRESSURE: 200800 -119.727 -137.231 120.402 -137.232 -13.2024 -233.215 120.403 -233.216 -119.004 GPRESSURE: 200800 3.18488 -76.6048 114.252 -70.8965 -12.0997 -276.486 163.469 -197.804 -155.414 PRESSAVG: 200800 4.08831 -30.6712 -39.0578 -30.6713 -17.0563 -27.7793 -39.0578 -27.7793 12.8287 GPRESSAVG: 200800 5.43231 -29.966 -37.702 -31.1845 -16.7926 -28.7923 -37.7023 -28.1177 11.0062 TIMING: 200800 CPU: 632.179, 0.00312277/step Wall: 632.179, 0.00312277/step, 4.163 hours remaining, 234.335938 MB of memory in use. ENERGY: 200800 4030.0064 20681.8468 14438.6295 243.8028 -203592.2829 2491.3454 0.0000 0.0000 52148.2212 -109558.4309 299.6965 -161706.6522 -109186.4414 299.3822 -83.9779 -54.7762 762853.2130 -0.0464 -0.1180 PRESSURE: 201000 108.726 -78.9313 -37.3619 -78.9315 309.384 -11.8258 -37.3608 -11.8265 -83.875 GPRESSURE: 201000 92.2781 -98.2936 -21.8016 76.6942 360.096 -23.994 -110.428 120.307 -43.7278 PRESSAVG: 201000 5.49344 -4.25797 -11.4274 -4.25787 -27.1639 -7.80419 -11.4274 -7.80415 -10.1241 GPRESSAVG: 201000 5.84694 -4.03622 -14.4111 -4.32809 -28.5268 -6.78276 -11.0435 -9.63782 -9.24549 TIMING: 201000 CPU: 632.808, 0.00314162/step Wall: 632.808, 0.00314161/step, 4.18795 hours remaining, 234.335938 MB of memory in use. ENERGY: 201000 3997.6532 20463.9136 14437.1095 244.0634 -203358.0303 2591.4280 0.0000 0.0000 51924.9918 -109698.8708 298.4136 -161623.8626 -109337.9043 299.3405 111.4116 136.2154 761940.3416 -10.5982 -10.6418 PRESSURE: 201200 -36.882 39.136 70.6535 39.1372 154.067 -159.812 70.6532 -159.813 -38.6289 GPRESSURE: 201200 19.2998 53.9269 101.358 5.32383 194.829 -156.407 74.4331 -119.016 -38.8899 PRESSAVG: 201200 43.5167 8.28347 29.9035 8.28351 21.5586 -14.7216 29.9034 -14.7216 27.4953 GPRESSAVG: 201200 43.3891 8.97367 31.4752 6.27895 21.9578 -16.7412 31.0704 -13.3535 27.2633 TIMING: 201200 CPU: 633.437, 0.00314489/step Wall: 633.437, 0.00314489/step, 4.19214 hours remaining, 234.335938 MB of memory in use. ENERGY: 201200 3923.5363 20447.5775 14430.5723 229.0196 -203652.1943 2741.2462 0.0000 0.0000 52101.5202 -109778.7222 299.4282 -161880.2424 -109413.8026 298.5297 26.1854 58.4129 760479.2953 30.8569 30.8700 PRESSURE: 201400 264.884 -19.2369 -131.937 -19.2371 -232.713 152.216 -131.938 152.214 91.2048 GPRESSURE: 201400 185.331 -31.1675 -68.6279 -132.281 -157.273 150.252 -75.177 163.091 172.274 PRESSAVG: 201400 -50.31 -37.9608 39.2122 -37.9608 15.9232 -8.20347 39.2121 -8.20337 -8.06601 GPRESSAVG: 201400 -50.5457 -40.0063 40.2748 -36.4233 17.1348 -6.25568 38.7798 -8.21103 -9.06135 TIMING: 201400 CPU: 634.067, 0.00315231/step Wall: 634.067, 0.00315231/step, 4.20185 hours remaining, 234.335938 MB of memory in use. ENERGY: 201400 3940.1624 20484.5535 14406.9553 253.5908 -203029.0296 2368.4861 0.0000 0.0000 51947.5065 -109627.7750 298.5430 -161575.2815 -109255.8271 298.8435 41.1254 66.7776 762121.1317 -14.1510 -14.1574 PRESSURE: 201600 -4.06875 151.119 108.68 151.118 -142.275 41.7084 108.68 41.7075 -26.6007 GPRESSURE: 201600 -51.6168 6.26264 113.331 116.768 -101.813 -9.38309 95.6075 138.276 38.6768 PRESSAVG: 201600 -12.0133 -29.9938 19.9903 -29.9938 35.1118 -5.03264 19.9903 -5.03271 -13.2888 GPRESSAVG: 201600 -12.653 -30.8609 19.6245 -30.3067 35.0524 -5.42246 19.0207 -4.50893 -12.1958 TIMING: 201600 CPU: 634.695, 0.00314074/step Wall: 634.695, 0.00314074/step, 4.18625 hours remaining, 234.335938 MB of memory in use. ENERGY: 201600 3980.2868 20493.9947 14412.6140 242.7092 -203080.8414 2437.4010 0.0000 0.0000 52002.7995 -109511.0361 298.8608 -161513.8356 -109142.1198 298.7378 -57.6482 -38.2511 762236.9982 3.2699 3.4012 PRESSURE: 201800 -119.506 -30.613 13.9927 -30.6125 -300.611 -274.145 13.9936 -274.145 282.991 GPRESSURE: 201800 9.13546 59.8877 -28.2457 65.7228 -327.258 -261.488 59.0253 -185.578 283.69 PRESSAVG: 201800 58.0339 -86.3704 67.6406 -86.3704 -33.5733 21.7641 67.6406 21.7641 27.9969 GPRESSAVG: 201800 59.0881 -84.1738 67.0707 -86.5812 -34.5802 21.8786 67.4141 20.2567 28.1105 TIMING: 201800 CPU: 635.321, 0.00313036/step Wall: 635.321, 0.00313036/step, 4.17225 hours remaining, 234.335938 MB of memory in use. ENERGY: 201800 3989.8431 20494.7393 14376.5350 248.8410 -203269.0536 2403.4512 0.0000 0.0000 52312.0941 -109443.5499 300.6383 -161755.6441 -109080.7762 298.9700 -45.7085 -11.4774 761909.4529 17.4858 17.5395 PRESSURE: 202000 -160.442 -288.562 45.5202 -288.562 -220.625 90.6963 45.5209 90.6957 -26.0302 GPRESSURE: 202000 -65.3774 -186.667 -2.4694 -106.53 -136.652 104.374 52.7207 194.894 -112.645 PRESSAVG: 202000 42.6565 -18.5051 -2.56938 -18.5051 -50.9213 30.4233 -2.56935 30.4233 -8.85018 GPRESSAVG: 202000 43.3133 -16.2299 -3.23781 -17.1841 -50.0887 31.1165 1.05623 32.6898 -9.94086 TIMING: 202000 CPU: 635.95, 0.00314169/step Wall: 635.95, 0.00314168/step, 4.18717 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 202000 3891.9509 20628.0762 14441.1046 250.7061 -203052.8330 2515.8704 0.0000 0.0000 51942.7564 -109382.3683 298.5157 -161325.1247 -109021.3800 299.1043 -135.6992 -104.8913 761540.0301 -5.7050 -5.5721 PRESSURE: 202200 -425.977 -396.085 -76.7648 -396.085 61.1979 -133.359 -76.7644 -133.36 -276.015 GPRESSURE: 202200 -290.965 -524.351 -178.849 -360.454 -19.8385 -115.139 -94.1126 -18.5826 -232.129 PRESSAVG: 202200 -8.36502 -74.6412 83.9213 -74.6411 -17.3144 -5.02413 83.9212 -5.0241 16.3252 GPRESSAVG: 202200 -9.34164 -76.7648 85.3598 -75.7056 -17.0842 -5.59945 80.3142 -7.031 16.968 TIMING: 202200 CPU: 636.581, 0.00315835/step Wall: 636.581, 0.00315835/step, 4.20921 hours remaining, 234.335938 MB of memory in use. ENERGY: 202200 4048.6406 20596.8045 14413.1399 241.3119 -203130.6897 2692.3438 0.0000 0.0000 51837.0478 -109301.4012 297.9082 -161138.4490 -108952.6825 299.0938 -213.5982 -180.9774 762678.7460 -3.1181 -3.1526 PRESSURE: 202400 32.0066 -173.107 -112.678 -173.106 -119.49 66.6582 -112.678 66.6589 545.381 GPRESSURE: 202400 51.7233 -171.659 -54.7432 -4.82491 -64.5532 39.8397 -46.7148 69.7338 553.182 PRESSAVG: 202400 37.3952 -34.6053 19.0922 -34.6052 -54.4361 -57.5018 19.0921 -57.5018 0.913709 GPRESSAVG: 202400 36.9061 -34.7062 17.0521 -34.358 -54.1284 -55.8897 21.6818 -58.1136 1.40118 TIMING: 202400 CPU: 637.211, 0.00314669/step Wall: 637.211, 0.00314669/step, 4.19349 hours remaining, 234.335938 MB of memory in use. ENERGY: 202400 4007.3315 20556.6171 14461.8696 251.3942 -203220.0817 2622.8812 0.0000 0.0000 52285.6967 -109034.2914 300.4866 -161319.9881 -108664.8705 300.1277 152.6325 180.1176 762366.0729 -5.3757 -5.2737 PRESSURE: 202600 580.082 136.403 233.222 136.403 -21.7858 127.934 233.223 127.933 365.295 GPRESSURE: 202600 549.113 82.6587 283.144 137.247 37.9375 146.65 248.909 62.0205 409.463 PRESSAVG: 202600 6.79426 -26.5536 25.9582 -26.5537 -29.3506 -7.4931 25.9582 -7.49308 -12.622 GPRESSAVG: 202600 7.25488 -25.9339 27.0053 -24.8127 -30.1533 -7.91779 22.3519 -7.7568 -12.9049 TIMING: 202600 CPU: 637.839, 0.00314135/step Wall: 637.839, 0.00314135/step, 4.18619 hours remaining, 234.335938 MB of memory in use. ENERGY: 202600 3950.9121 20536.0136 14451.9178 238.1996 -203585.0318 3012.2972 0.0000 0.0000 52305.3190 -109090.3725 300.5994 -161395.6915 -108726.0925 300.2589 307.8637 332.1712 760404.3492 -11.7261 -11.9344 PRESSURE: 202800 -46.7248 -11.3716 -143.329 -11.3722 -86.0212 -92.3053 -143.328 -92.3064 22.1518 GPRESSURE: 202800 52.7364 -72.8819 -94.6881 3.6875 -93.9937 -19.7679 -81.0957 -124.196 -1.34038 PRESSAVG: 202800 18.2011 2.07858 57.2919 2.07858 -5.03321 -36.2287 57.292 -36.2286 20.7611 GPRESSAVG: 202800 18.5005 1.07185 57.7905 -0.82019 -4.48646 -36.4567 59.2727 -35.4557 19.7789 TIMING: 202800 CPU: 638.467, 0.00314216/step Wall: 638.467, 0.00314216/step, 4.1871 hours remaining, 234.335938 MB of memory in use. ENERGY: 202800 4027.8728 20590.8033 14407.2331 255.5856 -202963.0815 2452.9576 0.0000 0.0000 52230.1089 -108998.5203 300.1672 -161228.6292 -108626.6524 300.3359 -36.8648 -14.1992 761734.4801 11.3097 11.2643 PRESSURE: 203000 -278.108 -16.7667 -73.1932 -16.7672 -150.068 -22.7682 -73.1939 -22.7677 -47.3995 GPRESSURE: 203000 -270.117 46.2977 -65.1524 -34.3527 -50.5448 37.9145 -129.683 83.4685 -74.3779 PRESSAVG: 203000 -72.8634 -1.09835 16.6196 -1.09834 54.6907 9.33746 16.6196 9.33752 14.7566 GPRESSAVG: 203000 -73.3494 -1.53527 14.6539 -0.398127 54.3328 9.98322 16.1437 8.24644 15.4564 TIMING: 203000 CPU: 639.098, 0.00315158/step Wall: 639.098, 0.00315158/step, 4.19948 hours remaining, 234.335938 MB of memory in use. ENERGY: 203000 4061.8816 20670.1939 14387.3893 256.9067 -202712.8450 2304.0471 0.0000 0.0000 52135.7222 -108896.7042 299.6247 -161032.4264 -108531.6040 300.4592 -158.5251 -131.6800 761406.8947 -1.1387 -1.1867 PRESSURE: 203200 -161.757 -28.7539 205.181 -28.755 -395.37 321.114 205.181 321.114 -155.02 GPRESSURE: 203200 -150.497 91.1063 125.654 -43.6294 -331.999 274.388 215.551 245.754 -159.215 PRESSAVG: 203200 -22.2609 -65.7164 -53.1002 -65.7164 33.7441 -38.3961 -53.1002 -38.396 3.23228 GPRESSAVG: 203200 -22.8163 -65.3862 -51.7469 -63.6612 35.0096 -38.6291 -52.0516 -37.5218 2.72539 TIMING: 203200 CPU: 639.731, 0.00316447/step Wall: 639.731, 0.00316447/step, 4.21648 hours remaining, 234.335938 MB of memory in use. ENERGY: 203200 4044.7507 20476.2540 14452.7270 248.6855 -202592.9739 2263.0482 0.0000 0.0000 52284.3406 -108823.1678 300.4788 -161107.5084 -108446.1879 300.6094 -237.3824 -213.9035 762228.0189 4.9052 4.9729 PRESSURE: 203400 -28.5608 127.13 -239.617 127.13 101.94 -43.598 -239.618 -43.5985 -587.526 GPRESSURE: 203400 -24.2313 146.624 -246.711 135.968 144.657 -145.857 -264.331 -56.7667 -537.202 PRESSAVG: 203400 -35.5239 -77.8838 -25.3323 -77.8839 -5.35118 -7.5715 -25.3323 -7.5716 5.48072 GPRESSAVG: 203400 -34.5392 -76.9396 -26.0495 -80.4873 -7.10195 -8.8108 -25.7377 -8.9537 6.26866 TIMING: 203400 CPU: 640.366, 0.00317636/step Wall: 640.366, 0.00317636/step, 4.23215 hours remaining, 234.335938 MB of memory in use. ENERGY: 203400 4020.1581 20746.8187 14411.0044 259.6601 -203046.2265 2351.3942 0.0000 0.0000 52405.4802 -108851.7108 301.1750 -161257.1911 -108489.4489 300.4617 -171.3823 -138.9252 762497.2197 -11.7981 -11.7908 PRESSURE: 203600 -284.19 138.794 -42.0238 138.794 -90.4545 46.3533 -42.0234 46.3542 -256.136 GPRESSURE: 203600 -311.194 175.478 12.8014 142.849 -82.862 20.9245 62.3102 91.076 -153.579 PRESSAVG: 203600 -31.3085 6.79661 31.166 6.79654 66.1188 -5.94223 31.166 -5.94217 -0.650025 GPRESSAVG: 203600 -30.8734 4.80155 32.9999 7.58204 65.0484 -5.15611 30.7857 -5.63512 -0.399533 TIMING: 203600 CPU: 640.997, 0.00315708/step Wall: 640.997, 0.00315708/step, 4.20628 hours remaining, 234.335938 MB of memory in use. ENERGY: 203600 4071.1250 20732.0786 14427.0447 253.7087 -203070.5083 2412.8516 0.0000 0.0000 52164.1175 -109009.5820 299.7879 -161173.6995 -108650.8558 300.0283 -210.2604 -182.5449 760899.9382 11.3868 11.2585 PRESSURE: 203800 127.056 -149.712 64.8133 -149.712 105.657 -25.3877 64.8135 -25.3864 275.252 GPRESSURE: 203800 169.371 -125.288 114.606 -200.117 182.009 -118.714 63.3444 -111.327 254.28 PRESSAVG: 203800 -49.7749 23.8648 14.032 23.8649 25.4255 -23.7254 14.032 -23.7255 11.1795 GPRESSAVG: 203800 -50.1744 25.5673 11.8321 24.2553 26.5699 -22.8473 13.9611 -22.8339 10.3755 TIMING: 203800 CPU: 641.627, 0.00314696/step Wall: 641.627, 0.00314696/step, 4.19262 hours remaining, 234.335938 MB of memory in use. ENERGY: 203800 3993.5580 20762.1528 14482.5619 256.3006 -202758.6465 2332.6387 0.0000 0.0000 52191.6185 -108739.8160 299.9459 -160931.4345 -108380.7525 300.4386 169.3215 201.8867 761542.8244 -4.3900 -4.4096 PRESSURE: 204000 161.084 -239.899 173.083 -239.899 148.25 3.77455 173.084 3.77474 -184.537 GPRESSURE: 204000 122.16 -194.156 187.291 -137.048 167.463 3.12078 -31.978 46.3498 -76.7694 PRESSAVG: 204000 -30.5439 -8.45634 20.7251 -8.45637 95.9515 14.8834 20.7251 14.8833 11.1704 GPRESSAVG: 204000 -30.5741 -8.37263 21.001 -8.35286 96.7557 13.0938 20.3322 15.3526 10.904 TIMING: 204000 CPU: 642.251, 0.00312092/step Wall: 642.251, 0.00312092/step, 4.15775 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 204000 4005.0673 20707.8554 14419.8363 245.4490 -202805.9888 2307.9829 0.0000 0.0000 52448.2343 -108671.5636 301.4207 -161119.7980 -108315.0746 300.6724 41.5990 70.9512 760790.7345 25.5260 25.6952 PRESSURE: 204200 -228.065 225.968 19.7866 225.967 219.894 -200.4 19.787 -200.4 22.8485 GPRESSURE: 204200 -149.065 299.245 43.0358 77.163 254.58 -165.286 84.5637 -128.373 0.978828 PRESSAVG: 204200 -42.2445 10.0418 14.2326 10.0418 15.3877 -6.86496 14.2326 -6.865 4.60538 GPRESSAVG: 204200 -43.7946 9.03969 14.5285 9.05602 16.3074 -5.58787 14.7477 -6.74495 4.7346 TIMING: 204200 CPU: 642.881, 0.00314848/step Wall: 642.881, 0.00314848/step, 4.1943 hours remaining, 234.335938 MB of memory in use. ENERGY: 204200 3987.6902 20593.1727 14439.6174 252.0876 -202702.7150 2592.9206 0.0000 0.0000 52077.9171 -108759.3093 299.2925 -160837.2264 -108391.9515 300.4587 4.8922 35.4981 762279.4608 -7.4171 -7.5842 LDB: ============= START OF LOAD BALANCING ============== 655.33 LDB: ============== END OF LOAD BALANCING =============== 655.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 655.332 LDB: ============= START OF LOAD BALANCING ============== 655.646 LDB: Largest compute 7077 load 0.038012 is 19.5% of average load 0.194751 LDB: Average compute 0.004379 is 2.2% of average load 0.194751 LDB: TIME 655.65 LOAD: AVG 0.194751 MAX 0.213359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 655.65 LOAD: AVG 0.194751 MAX 0.213359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 655.65 LOAD: AVG 0.194751 MAX 0.213359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 655.652 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 655.657 PRESSURE: 204400 140.302 -136.24 -232.042 -136.24 -153.542 28.5246 -232.041 28.5254 -326.95 GPRESSURE: 204400 199.325 -157.798 -265.356 -31.0176 -110.561 45.298 -268.323 60.72 -315.735 PRESSAVG: 204400 -24.7736 13.7278 -84.0536 13.7277 49.5537 -22.0044 -84.0536 -22.0045 -13.5926 GPRESSAVG: 204400 -23.7208 12.3632 -84.2742 15.2049 48.4953 -22.594 -83.4725 -22.0609 -13.0013 TIMING: 204400 CPU: 643.521, 0.00320403/step Wall: 643.521, 0.00320403/step, 4.26812 hours remaining, 234.335938 MB of memory in use. ENERGY: 204400 4077.3661 20542.6980 14422.5648 252.5120 -203143.7297 2795.6400 0.0000 0.0000 52174.2459 -108878.7029 299.8461 -161052.9488 -108514.8915 300.4172 -113.3966 -75.6572 761570.8661 3.7292 3.9244 PRESSURE: 204600 -200.192 -94.1188 -76.2576 -94.1188 -264.595 -297.729 -76.2575 -297.729 -278.754 GPRESSURE: 204600 -218.23 -84.2538 -31.1586 -232.4 -168.303 -280.686 -53.5023 -194.246 -284.668 PRESSAVG: 204600 0.832514 -24.2238 -24.0002 -24.2238 3.20383 -10.446 -24.0002 -10.446 4.67264 GPRESSAVG: 204600 1.67824 -24.2134 -21.2172 -25.4184 3.51426 -8.74933 -25.4613 -10.3028 3.68104 TIMING: 204600 CPU: 644.154, 0.00316078/step Wall: 644.154, 0.00316078/step, 4.21033 hours remaining, 234.335938 MB of memory in use. ENERGY: 204600 4103.8250 20717.5741 14411.1759 234.8125 -203236.9122 2699.3360 0.0000 0.0000 52089.4318 -108980.7568 299.3587 -161070.1886 -108623.9507 300.0240 -247.8471 -223.7335 761936.3798 2.9030 2.9578 PRESSURE: 204800 191.43 190.205 118.692 190.205 -558.362 34.0657 118.692 34.0664 -171.367 GPRESSURE: 204800 98.2698 177.09 181.999 179.286 -376.646 -98.6401 59.4993 26.3377 -168.218 PRESSAVG: 204800 -11.662 -38.3672 -13.0701 -38.3671 -3.78419 43.7484 -13.0701 43.7484 -1.11801 GPRESSAVG: 204800 -11.6336 -37.3842 -15.8202 -38.0384 -4.33996 41.7631 -14.3971 43.5728 -0.515999 TIMING: 204800 CPU: 644.785, 0.00315652/step Wall: 644.785, 0.00315652/step, 4.20448 hours remaining, 234.335938 MB of memory in use. ENERGY: 204800 3992.6285 20633.6140 14421.5423 258.7862 -203185.0147 2390.6776 0.0000 0.0000 52253.9185 -109233.8475 300.3040 -161487.7660 -108864.3184 299.7200 -179.4331 -148.8648 760936.8720 -5.5214 -5.4965 PRESSURE: 205000 -205.194 -80.4685 153.653 -80.4684 -127.486 -381.879 153.652 -381.879 107.287 GPRESSURE: 205000 -139.55 -73.0524 221.724 -150.885 -60.9142 -373.001 241.109 -401.012 68.4516 PRESSAVG: 205000 -4.16208 -3.82696 32.5926 -3.82701 -8.50941 -36.5108 32.5926 -36.5108 -12.9663 GPRESSAVG: 205000 -4.46511 -3.86232 34.4927 -3.67276 -8.51161 -36.0769 34.528 -35.7074 -13.2118 TIMING: 205000 CPU: 645.417, 0.00315932/step Wall: 645.417, 0.00315932/step, 4.20804 hours remaining, 234.335938 MB of memory in use. ENERGY: 205000 4024.8860 20525.8445 14401.0013 249.2585 -202537.0118 2274.9489 0.0000 0.0000 51840.8914 -109220.1812 297.9303 -161061.0726 -108849.2937 299.4814 -75.1309 -44.0041 761813.7552 -8.5459 -8.7295 PRESSURE: 205200 -116.391 0.694728 51.6922 0.695337 268.861 -102.706 51.6922 -102.705 -80.1499 GPRESSURE: 205200 15.2151 -11.5338 33.1203 17.481 210.242 -133.244 88.2615 3.98235 -52.3431 PRESSAVG: 205200 -97.5822 6.89592 29.15 6.89593 64.2434 -24.6239 29.1501 -24.6239 -3.54239 GPRESSAVG: 205200 -96.8993 4.90742 28.2184 6.16809 64.3336 -25.1874 29.1991 -26.2576 -4.13663 TIMING: 205200 CPU: 646.05, 0.00316809/step Wall: 646.05, 0.00316809/step, 4.21954 hours remaining, 234.335938 MB of memory in use. ENERGY: 205200 3994.7956 20577.1197 14401.5429 246.1550 -203375.7481 2757.3156 0.0000 0.0000 52349.8283 -109048.9910 300.8552 -161398.8192 -108677.9911 299.8443 24.1064 57.7047 760437.9560 -12.2937 -12.2341 PRESSURE: 205400 56.9581 -45.5066 -102.454 -45.507 59.2275 70.6992 -102.454 70.6995 -40.636 GPRESSURE: 205400 138.136 -202.034 -130.74 16.2197 88.3273 53.8425 -131.406 37.3136 -65.661 PRESSAVG: 205400 -0.0879169 -57.5575 -35.2894 -57.5575 15.9554 -7.65731 -35.2895 -7.65732 -6.14223 GPRESSAVG: 205400 -1.81748 -56.5991 -35.8492 -57.0774 16.5465 -7.48293 -34.4592 -5.30923 -5.25964 TIMING: 205400 CPU: 646.679, 0.00314173/step Wall: 646.679, 0.00314173/step, 4.18426 hours remaining, 234.335938 MB of memory in use. ENERGY: 205400 4011.6867 20604.3928 14416.0144 260.9356 -203240.7832 2605.6271 0.0000 0.0000 52336.9693 -109005.1572 300.7813 -161342.1265 -108653.3488 300.2583 25.1832 53.6008 762569.5812 3.2418 3.1565 PRESSURE: 205600 28.7725 -139.986 -78.187 -139.987 293.235 9.6523 -78.1874 9.65276 -111.983 GPRESSURE: 205600 75.1966 -74.8384 -24.2305 -184.018 400.083 -82.2019 -48.0142 -129.14 -165.727 PRESSAVG: 205600 -11.1068 -29.2448 -16.0844 -29.2448 10.4239 -19.0855 -16.0845 -19.0855 9.45811 GPRESSAVG: 205600 -10.2046 -27.3258 -16.5503 -31.4868 9.11477 -17.9477 -16.1045 -22.603 10.4059 TIMING: 205600 CPU: 647.307, 0.00313926/step Wall: 647.307, 0.00313927/step, 4.1808 hours remaining, 234.335938 MB of memory in use. ENERGY: 205600 3999.3981 20582.6563 14437.2177 259.3290 -203417.2775 2746.0331 0.0000 0.0000 52412.2216 -108980.4217 301.2138 -161392.6433 -108617.7563 300.3988 70.0081 103.1843 762495.3366 2.9251 3.1054 PRESSURE: 205800 450.506 114.384 -94.2307 114.383 -294.994 -15.5661 -94.2312 -15.5655 -236.634 GPRESSURE: 205800 481.307 126.429 -87.6334 -22.7167 -289.948 5.95604 -87.6844 44.8235 -190.084 PRESSAVG: 205800 2.73516 0.696703 -24.0405 0.696665 -13.7797 -32.575 -24.0405 -32.575 -9.22155 GPRESSAVG: 205800 3.15143 -0.602115 -20.5804 2.0325 -12.8957 -33.4629 -26.2816 -31.5769 -10.4646 TIMING: 205800 CPU: 647.937, 0.00315404/step Wall: 647.937, 0.00315404/step, 4.20031 hours remaining, 234.335938 MB of memory in use. ENERGY: 205800 3978.9761 20527.5049 14386.4590 253.1104 -203589.0232 3008.2063 0.0000 0.0000 52528.5641 -108906.2025 301.8824 -161434.7665 -108540.5910 300.7931 -27.0408 0.4248 761887.9617 -6.7554 -6.7363 PRESSURE: 206000 -319.423 120.816 -38.6988 120.816 206.662 235.353 -38.7 235.354 -315.87 GPRESSURE: 206000 -262.887 147.255 -82.5488 85.1095 235.308 240.735 -0.223568 209.813 -325.629 PRESSAVG: 206000 35.8274 -35.2859 2.49856 -35.2859 14.8364 0.649376 2.49856 0.649403 -11.1189 GPRESSAVG: 206000 35.8654 -33.6803 1.07346 -34.6287 15.2418 2.69438 3.2418 -0.608601 -11.41 TIMING: 206000 CPU: 648.565, 0.00313752/step Wall: 648.565, 0.00313752/step, 4.17813 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 206000 4002.5926 20701.6724 14441.6882 236.5301 -203341.8695 2665.1767 0.0000 0.0000 52381.0323 -108913.1771 301.0345 -161294.2093 -108537.9488 300.4040 -142.8772 -117.7360 762359.2413 13.1816 13.2324 PRESSURE: 206200 116.492 61.13 49.8065 61.1304 155.391 -56.7619 49.8061 -56.7615 -88.6047 GPRESSURE: 206200 222.037 10.3334 87.2301 39.0882 161.239 -86.6385 -2.06159 -28.0523 -133.487 PRESSAVG: 206200 -19.4283 0.231952 26.0324 0.231883 14.7373 10.5813 26.0324 10.5813 -13.9218 GPRESSAVG: 206200 -19.4159 -1.27138 25.4994 -0.704851 13.0019 9.32536 26.1109 10.2842 -13.1057 TIMING: 206200 CPU: 649.193, 0.00313973/step Wall: 649.193, 0.00313973/step, 4.1809 hours remaining, 234.335938 MB of memory in use. ENERGY: 206200 4008.0410 20705.3375 14472.4660 258.2491 -202898.5228 2291.3360 0.0000 0.0000 52258.1489 -108904.9444 300.3283 -161163.0932 -108548.6672 300.1882 61.0926 83.2630 762643.3241 -6.2043 -6.5065 PRESSURE: 206400 10.0715 -88.6122 -100.478 -88.6123 182.934 -131.696 -100.478 -131.697 -163.692 GPRESSURE: 206400 47.2771 -28.582 -62.4541 -113.013 224.722 -143.968 -102.305 -149.622 -131.642 PRESSAVG: 206400 -37.9956 0.588282 -7.46652 0.588265 -4.50803 -30.0428 -7.46648 -30.0427 -4.12738 GPRESSAVG: 206400 -37.8726 1.97156 -8.26518 -0.111172 -4.49847 -29.4518 -7.90931 -28.9242 -4.44012 TIMING: 206400 CPU: 649.824, 0.0031562/step Wall: 649.824, 0.0031562/step, 4.20265 hours remaining, 234.335938 MB of memory in use. ENERGY: 206400 4025.2467 20603.6790 14441.6497 242.5223 -202966.6395 2555.6472 0.0000 0.0000 52353.4810 -108744.4135 300.8762 -161097.8945 -108379.6526 300.1094 9.7710 46.7856 762194.5712 -15.5437 -15.6037 PRESSURE: 206600 113.499 -41.4465 -10.7778 -41.447 11.8587 -31.4399 -10.7779 -31.4394 243.34 GPRESSURE: 206600 75.6112 50.4909 -7.89758 -29.8518 17.0774 -2.12549 42.0376 -6.52672 346.331 PRESSAVG: 206600 -14.2554 -26.1342 -8.91112 -26.1343 -19.2521 5.86235 -8.91114 5.86228 9.28582 GPRESSAVG: 206600 -15.5875 -26.6225 -8.92364 -26.4466 -17.338 5.83311 -8.34947 6.22545 8.42384 TIMING: 206600 CPU: 650.453, 0.00314497/step Wall: 650.453, 0.00314497/step, 4.18753 hours remaining, 234.335938 MB of memory in use. ENERGY: 206600 3991.0286 20690.4172 14487.7024 244.2613 -202864.4557 2463.2434 0.0000 0.0000 52214.5284 -108773.2745 300.0776 -160987.8029 -108409.2759 300.7358 122.8992 146.3399 763585.6777 -8.0739 -8.1672 PRESSURE: 206800 -233.418 -120.472 11.6807 -120.472 -308.718 -206.894 11.6807 -206.893 -379.446 GPRESSURE: 206800 -197.903 -56.6117 25.1125 -135.758 -283.747 -218.897 88.5129 -153.081 -345.403 PRESSAVG: 206800 -2.1945 13.9575 -42.4101 13.9574 23.3416 -34.6789 -42.4102 -34.6789 6.80896 GPRESSAVG: 206800 -1.08674 13.1251 -41.8418 14.8992 22.2484 -34.1399 -42.2793 -35.4665 7.15881 TIMING: 206800 CPU: 651.081, 0.00313819/step Wall: 651.081, 0.00313819/step, 4.17832 hours remaining, 234.335938 MB of memory in use. ENERGY: 206800 3997.3305 20607.9626 14418.7507 245.3007 -202512.5186 2293.7654 0.0000 0.0000 52092.0707 -108857.3380 299.3738 -160949.4087 -108500.6362 300.1537 -307.1940 -275.6846 762490.2385 9.3187 9.4402 PRESSURE: 207000 -18.9364 -167.148 -43.5917 -167.147 49.5667 -54.3194 -43.5915 -54.32 221.531 GPRESSURE: 207000 41.6014 -225.462 13.2455 -192.746 101.14 -23.3384 19.7141 -17.6398 209.879 PRESSAVG: 207000 14.8655 -32.3739 36.9615 -32.3738 11.6532 1.39902 36.9615 1.39903 -7.42383 GPRESSAVG: 207000 14.831 -33.1669 35.4449 -31.7117 11.6569 2.8727 40.5656 0.122073 -7.8982 TIMING: 207000 CPU: 651.712, 0.00315433/step Wall: 651.712, 0.00315433/step, 4.19964 hours remaining, 234.335938 MB of memory in use. ENERGY: 207000 4021.1268 20450.7502 14422.3172 242.5828 -203146.1706 2749.4987 0.0000 0.0000 52278.8683 -108981.0266 300.4474 -161259.8950 -108622.2157 300.1183 84.0539 117.5401 763486.5861 6.3649 6.1966 PRESSURE: 207200 530.559 35.9684 137.725 35.9694 -335.59 170.321 137.725 170.32 -388.796 GPRESSURE: 207200 517.935 5.12353 203.996 4.14703 -241.992 181.111 111.904 99.5647 -371.831 PRESSAVG: 207200 72.9512 -24.783 -26.6796 -24.783 -26.6858 23.6291 -26.6796 23.629 8.19046 GPRESSAVG: 207200 72.7863 -20.9985 -26.0777 -28.6352 -27.5702 23.4137 -28.716 24.5606 9.53758 TIMING: 207200 CPU: 652.339, 0.003136/step Wall: 652.339, 0.003136/step, 4.17506 hours remaining, 234.335938 MB of memory in use. ENERGY: 207200 3994.2794 20415.8878 14402.8695 264.4204 -203166.2649 2813.3337 0.0000 0.0000 52243.8768 -109031.5973 300.2463 -161275.4741 -108669.8958 300.2229 -64.6091 -31.9625 762806.6411 18.1519 18.2512 PRESSURE: 207400 67.5942 -63.6922 -177.011 -63.692 51.299 -51.3278 -177.01 -51.3279 -97.6715 GPRESSURE: 207400 154.414 -50.6805 -124.167 -81.6189 52.2663 -62.1422 -145.185 10.6802 -95.5942 PRESSAVG: 207400 15.2915 14.429 -40.204 14.429 -2.91403 3.2394 -40.2041 3.23935 -2.3097 GPRESSAVG: 207400 14.8706 11.7489 -41.0324 16.5431 -1.73836 2.16696 -39.8734 2.25738 -3.50464 TIMING: 207400 CPU: 652.97, 0.003154/step Wall: 652.97, 0.003154/step, 4.19885 hours remaining, 234.335938 MB of memory in use. ENERGY: 207400 4015.4757 20425.0953 14513.9154 236.9212 -203311.9122 2620.0907 0.0000 0.0000 52289.2571 -109211.1568 300.5071 -161500.4138 -108845.6875 300.2510 7.0739 37.0288 762674.1848 3.3559 3.2092 PRESSURE: 207600 132.472 -174.023 -137.838 -174.023 130.445 -38.7268 -137.838 -38.7262 99.7414 GPRESSURE: 207600 192.012 -165.157 -137.842 -91.9168 112.362 18.7004 -77.6829 -67.6788 154.541 PRESSAVG: 207600 35.5586 -24.6619 -9.30587 -24.6618 -38.4681 39.4783 -9.30595 39.4783 -6.11076 GPRESSAVG: 207600 37.1232 -26.1927 -7.73368 -22.7186 -39.4946 39.3142 -9.89787 39.7016 -6.62186 TIMING: 207600 CPU: 653.596, 0.00313238/step Wall: 653.596, 0.00313238/step, 4.16989 hours remaining, 234.335938 MB of memory in use. ENERGY: 207600 3970.9890 20507.2634 14390.5717 253.4487 -203203.9035 2637.0328 0.0000 0.0000 52148.6967 -109295.9013 299.6993 -161444.5980 -108929.1154 299.4756 120.8862 152.9715 762106.7531 -3.0068 -2.9978 PRESSURE: 207800 270.47 -10.9491 132.516 -10.9483 -187.728 -135.388 132.517 -135.39 -40.5399 GPRESSURE: 207800 160.626 -122.294 91.9507 -50.4143 -43.7062 -153.772 111.837 -77.1872 -7.05218 PRESSAVG: 207800 14.2305 -91.7574 -69.456 -91.7573 -36.5255 -23.6879 -69.4559 -23.688 -25.754 GPRESSAVG: 207800 11.7804 -91.0939 -70.0999 -92.9422 -34.6454 -24.6845 -69.9536 -21.3353 -25.1824 TIMING: 207800 CPU: 654.219, 0.00311544/step Wall: 654.219, 0.00311544/step, 4.14717 hours remaining, 234.335938 MB of memory in use. ENERGY: 207800 3939.5504 20573.0728 14466.0015 246.2692 -203137.0214 2585.7097 0.0000 0.0000 52048.0243 -109278.3934 299.1207 -161326.4177 -108909.7260 299.0579 14.0672 36.6226 762641.4982 -16.0163 -16.0158 PRESSURE: 208000 -132.814 36.8783 -143.088 36.8782 -15.8637 112.115 -143.087 112.114 -484.018 GPRESSURE: 208000 -142.664 148.673 -213.656 11.9413 14.0357 96.0741 -108.787 167.241 -421.692 PRESSAVG: 208000 6.4508 -38.9751 -7.42954 -38.975 5.11492 -2.17247 -7.42956 -2.17247 0.552044 GPRESSAVG: 208000 7.15515 -38.0214 -7.41616 -39.2496 3.39251 -1.47052 -8.36055 -3.52047 1.59312 TIMING: 208000 CPU: 654.847, 0.00313898/step Wall: 654.847, 0.00313898/step, 4.17834 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 208000 4009.5055 20561.2454 14460.2337 266.5733 -203175.2287 2562.9102 0.0000 0.0000 52041.8302 -109272.9304 299.0851 -161314.7606 -108917.2629 299.5804 -210.8985 -183.4401 761435.1699 4.0393 4.0469 PRESSURE: 208200 120.503 -171.441 -136.349 -171.441 90.8188 -131.737 -136.35 -131.737 417.712 GPRESSURE: 208200 105.168 -257.348 -85.4748 -151.577 155.739 -142.626 -67.2236 -115.955 462.164 PRESSAVG: 208200 -7.91573 -32.9598 -45.4546 -32.9598 -35.1733 0.640256 -45.4546 0.640296 3.68945 GPRESSAVG: 208200 -7.21353 -32.669 -44.5831 -34.5391 -36.0329 0.412269 -44.2815 1.13144 3.91675 TIMING: 208200 CPU: 655.474, 0.00313341/step Wall: 655.474, 0.00313341/step, 4.17075 hours remaining, 234.335938 MB of memory in use. ENERGY: 208200 3858.0884 20590.7434 14420.5644 238.6715 -203299.6730 2720.3128 0.0000 0.0000 51966.9009 -109504.3916 298.6545 -161471.2925 -109148.9299 299.1002 209.6781 241.0238 761393.2420 -13.1332 -13.1099 LDB: ============= START OF LOAD BALANCING ============== 667.922 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 667.922 LDB: =============== DONE WITH MIGRATION ================ 667.924 LDB: ============= START OF LOAD BALANCING ============== 668.237 LDB: Largest compute 7077 load 0.035876 is 18.4% of average load 0.194858 LDB: Average compute 0.004373 is 2.2% of average load 0.194858 LDB: TIME 668.24 LOAD: AVG 0.194858 MAX 0.212131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 668.241 LOAD: AVG 0.194858 MAX 0.212131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 668.241 LOAD: AVG 0.194858 MAX 0.212131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 668.243 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 668.248 PRESSURE: 208400 22.1348 -30.9968 131.874 -30.9965 -127.488 23.9742 131.875 23.9738 138.623 GPRESSURE: 208400 32.7837 -35.9187 11.579 -153.855 -100.719 -113.056 182.094 -10.2533 201.995 PRESSAVG: 208400 -19.2495 11.6372 66.6484 11.6372 18.7536 0.510959 66.6484 0.510848 -11.0148 GPRESSAVG: 208400 -18.3523 9.18896 65.3106 13.5255 18.8811 0.190893 66.9086 1.79917 -12.0431 TIMING: 208400 CPU: 656.112, 0.00319181/step Wall: 656.112, 0.00319181/step, 4.2483 hours remaining, 234.335938 MB of memory in use. ENERGY: 208400 4035.3561 20410.5110 14397.9537 237.1515 -203342.7870 2663.9131 0.0000 0.0000 52084.4150 -109513.4866 299.3298 -161597.9016 -109151.2585 298.6086 11.0900 44.6865 761543.5681 -3.8369 -3.8381 PRESSURE: 208600 34.3747 -97.8402 138.635 -97.8388 99.7767 -45.5917 138.636 -45.5919 194.542 GPRESSURE: 208600 -4.53063 -119.563 169.785 18.4448 219.104 -18.8961 -80.0366 -37.6877 187.177 PRESSAVG: 208600 -18.8781 -19.7387 12.112 -19.7387 38.7249 0.9129 12.1119 0.912968 2.45568 GPRESSAVG: 208600 -18.5731 -18.3787 12.4899 -18.9394 38.6949 1.97592 11.6488 -0.347013 1.60747 TIMING: 208600 CPU: 656.74, 0.00313849/step Wall: 656.74, 0.00313849/step, 4.17715 hours remaining, 234.335938 MB of memory in use. ENERGY: 208600 3879.2271 20655.4508 14420.9201 242.9493 -203406.1100 2660.3415 0.0000 0.0000 52151.5517 -109395.6695 299.7157 -161547.2212 -109031.3993 298.9048 109.5644 133.9167 761241.7678 7.4342 7.2431 PRESSURE: 208800 -129.003 -20.1337 -163.352 -20.1339 -187.03 245.283 -163.353 245.281 80.1412 GPRESSURE: 208800 -25.7003 -42.049 -130.069 -83.2266 -188.533 314.344 -237.912 332.762 60.9531 PRESSAVG: 208800 10.2577 -41.7226 -53.8439 -41.7226 4.29269 19.5383 -53.8438 19.5383 -28.6539 GPRESSAVG: 208800 10.507 -40.5098 -50.7754 -43.0809 4.10145 19.8896 -56.1191 19.7748 -28.515 TIMING: 208800 CPU: 657.371, 0.00315531/step Wall: 657.371, 0.00315531/step, 4.19937 hours remaining, 234.335938 MB of memory in use. ENERGY: 208800 3947.5032 20596.1080 14519.9095 245.9139 -203447.8963 2588.8351 0.0000 0.0000 52271.4575 -109278.1692 300.4048 -161549.6266 -108914.2481 299.7611 -78.6306 -51.0933 760812.4448 -4.7012 -4.6355 PRESSURE: 209000 347.746 -52.0163 194.171 -52.0169 53.1105 161.32 194.171 161.32 -47.2329 GPRESSURE: 209000 318.944 -31.0566 248.767 -148.077 154.915 176.397 251.367 184.371 -32.2264 PRESSAVG: 209000 -11.229 -77.1049 9.49464 -77.1049 -22.1235 -13.7414 9.49466 -13.7415 27.3453 GPRESSAVG: 209000 -12.1725 -77.2825 6.58295 -77.7674 -22.1847 -15.2539 11.0055 -12.6164 28.1135 TIMING: 209000 CPU: 658.001, 0.00314913/step Wall: 658.001, 0.00314913/step, 4.19097 hours remaining, 234.335938 MB of memory in use. ENERGY: 209000 3939.3646 20474.3446 14479.6265 237.2651 -203116.2496 2384.5669 0.0000 0.0000 52262.0595 -109339.0225 300.3508 -161601.0819 -108963.9773 299.8839 117.8746 147.2109 761787.0175 -2.0024 -2.0812 PRESSURE: 209200 215.95 16.2491 70.8947 16.2491 375.636 46.6324 70.8949 46.6329 -289.719 GPRESSURE: 209200 306.258 49.0985 118.106 -25.5007 309.259 63.1751 20.5833 17.8723 -239.62 PRESSAVG: 209200 1.66984 -14.7441 44.1107 -14.744 -13.3796 16.0107 44.1107 16.0107 14.2679 GPRESSAVG: 209200 0.414317 -15.8098 44.4891 -13.0402 -12.6128 16.8175 45.7012 15.5241 14.7211 TIMING: 209200 CPU: 658.63, 0.00314752/step Wall: 658.63, 0.00314752/step, 4.18865 hours remaining, 234.335938 MB of memory in use. ENERGY: 209200 4050.6098 20354.2841 14450.9580 237.5201 -202902.3205 2512.3594 0.0000 0.0000 52083.8760 -109212.7131 299.3268 -161296.5891 -108859.8977 299.7831 100.6224 125.2990 762208.4309 0.8527 0.8409 PRESSURE: 209400 -52.6422 101.247 60.7055 101.247 -108.383 110.621 60.7051 110.622 194.67 GPRESSURE: 209400 14.2653 -10.919 133.351 44.6101 -73.0155 69.5204 67.7495 100.892 166.255 PRESSAVG: 209400 -38.3376 -30.8584 31.4423 -30.8584 30.531 48.2201 31.4423 48.2202 -18.3976 GPRESSAVG: 209400 -36.4611 -32.0287 32.3907 -31.5411 30.196 49.2735 29.4454 47.8845 -19.7019 TIMING: 209400 CPU: 659.257, 0.00313599/step Wall: 659.257, 0.00313599/step, 4.17313 hours remaining, 234.335938 MB of memory in use. ENERGY: 209400 4019.5379 20478.2944 14471.5134 270.3611 -203345.9793 2883.7426 0.0000 0.0000 51939.9906 -109282.5394 298.4998 -161222.5300 -108914.8110 299.1955 11.2149 35.8350 763139.3171 -8.7347 -8.6557 PRESSURE: 209600 -215.972 37.2137 133.894 37.2132 -280.995 -41.2582 133.894 -41.26 -31.116 GPRESSURE: 209600 -238.933 59.75 112.538 71.5898 -200.637 35.0298 87.7214 79.9158 -5.80832 PRESSAVG: 209600 -42.7001 8.49 46.6041 8.48999 42.2377 30.8511 46.6041 30.8511 26.8824 GPRESSAVG: 209600 -42.0615 8.78462 45.1384 10.2776 41.1183 30.2718 46.4555 29.6491 27.1676 TIMING: 209600 CPU: 659.885, 0.00313934/step Wall: 659.885, 0.00313934/step, 4.17741 hours remaining, 234.335938 MB of memory in use. ENERGY: 209600 3934.2525 20532.4209 14441.9014 242.9253 -203344.9709 2694.4204 0.0000 0.0000 52086.2786 -109412.7717 299.3406 -161499.0503 -109051.7922 299.2109 -176.0276 -148.4596 763132.1275 8.8067 8.7415 PRESSURE: 209800 41.1952 -117.177 -21.1672 -117.177 -24.0483 301.632 -21.1671 301.633 -203.129 GPRESSURE: 209800 -21.8962 -158.445 -19.6149 -180.672 131.931 174.441 11.1023 273.607 -208.815 PRESSAVG: 209800 40.9845 -8.14257 24.8171 -8.14248 -48.8344 17.6279 24.8171 17.6279 2.47743 GPRESSAVG: 209800 39.8128 -7.26311 25.8143 -10.1706 -48.0461 18.5952 23.9378 19.8679 3.3771 TIMING: 209800 CPU: 660.511, 0.00312945/step Wall: 660.511, 0.00312945/step, 4.16408 hours remaining, 234.335938 MB of memory in use. ENERGY: 209800 4046.8167 20279.7036 14449.1857 237.3939 -203036.6574 2580.0224 0.0000 0.0000 52020.5678 -109422.9673 298.9629 -161443.5351 -109049.4096 299.2497 -61.9939 -32.9267 763194.9245 -1.7908 -1.6188 PRESSURE: 210000 271.801 -148.762 -64.2919 -148.762 192.895 -92.9087 -64.2914 -92.91 97.8627 GPRESSURE: 210000 287.116 -107.925 -115.316 -262.562 226.081 -56.8441 -37.5276 -63.7545 147.166 PRESSAVG: 210000 -20.158 -63.455 -28.7752 -63.455 16.3153 30.1107 -28.7752 30.1107 -19.4808 GPRESSAVG: 210000 -19.7014 -64.2651 -29.7737 -61.4865 15.4777 29.4184 -25.7278 29.1612 -19.1872 TIMING: 210000 CPU: 661.138, 0.00313422/step Wall: 661.138, 0.00313422/step, 4.17025 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 210000 3899.1734 20581.7579 14512.8364 259.2562 -202970.9891 2662.7954 0.0000 0.0000 51663.3030 -109391.8669 296.9097 -161055.1698 -109038.2282 298.6894 187.5197 220.1211 762288.9974 -7.7745 -7.8036 PRESSURE: 210200 -325.605 -161.072 -86.0271 -161.073 -49.3444 115.294 -86.0271 115.294 -100.615 GPRESSURE: 210200 -252.683 -120.632 -170.87 -112.974 -29.6512 134.036 -110.269 8.70424 -77.9488 PRESSAVG: 210200 -20.7134 39.9627 -2.02629 39.9627 32.2283 63.8066 -2.02631 63.8066 2.91938 GPRESSAVG: 210200 -20.8164 41.4126 -1.04363 40.5179 33.0806 62.4417 -2.16129 64.2774 2.87636 TIMING: 210200 CPU: 661.767, 0.0031434/step Wall: 661.767, 0.0031434/step, 4.1823 hours remaining, 234.335938 MB of memory in use. ENERGY: 210200 3932.8043 20513.9835 14420.6458 251.1283 -203076.3241 2453.4063 0.0000 0.0000 51894.9048 -109609.4511 298.2407 -161504.3558 -109258.0249 299.0841 -158.5215 -120.0944 762307.3865 4.8114 5.0468 PRESSURE: 210400 109.391 57.8821 172.599 57.8822 440.376 -312.88 172.6 -312.88 751.4 GPRESSURE: 210400 209.512 33.4009 201.547 107.17 370.397 -317.516 37.0991 -189.178 810.291 PRESSAVG: 210400 -84.9717 4.67476 4.87178 4.67476 40.2444 21.0627 4.87176 21.0628 6.80355 GPRESSAVG: 210400 -83.5002 4.07107 3.99086 2.93234 41.0684 21.6931 3.36842 22.4725 4.64977 TIMING: 210400 CPU: 662.394, 0.00313995/step Wall: 662.394, 0.00313995/step, 4.17753 hours remaining, 234.335938 MB of memory in use. ENERGY: 210400 3967.0322 20578.6924 14456.9123 248.8857 -203649.3039 3067.5181 0.0000 0.0000 51859.3480 -109470.9153 298.0364 -161330.2633 -109125.2526 299.1657 433.7222 463.4000 762702.8768 -12.6412 -12.5940 PRESSURE: 210600 -180.599 -381.861 -31.5694 -381.861 35.7167 242.978 -31.569 242.978 -42.0607 GPRESSURE: 210600 -224.562 -347.046 -48.8698 -324.765 191.314 191.552 -1.93287 268.916 -64.1056 PRESSAVG: 210600 -20.9709 -1.23781 -22.8373 -1.23782 30.0102 3.3527 -22.8372 3.35265 22.865 GPRESSAVG: 210600 -22.3667 -1.81498 -21.5365 1.01813 30.5732 4.28199 -23.5492 1.86135 23.2646 TIMING: 210600 CPU: 663.027, 0.00316432/step Wall: 663.027, 0.00316432/step, 4.20978 hours remaining, 234.335938 MB of memory in use. ENERGY: 210600 4023.3202 20433.0986 14439.7549 255.4805 -202897.9356 2311.1381 0.0000 0.0000 52107.4246 -109327.7188 299.4621 -161435.1434 -108962.4487 298.9880 -62.3142 -32.4512 762418.0633 10.6347 10.4904 PRESSURE: 210800 -212.555 100.735 -75.3013 100.734 -178.247 -104.178 -75.3028 -104.177 -466.024 GPRESSURE: 210800 -221.323 27.7843 -147.585 157.022 -130.436 -71.224 -25.0963 -102.944 -400.926 PRESSAVG: 210800 -71.0782 -9.09561 -5.64262 -9.0956 41.2457 -4.17881 -5.64262 -4.17889 -8.77186 GPRESSAVG: 210800 -70.8874 -9.75462 -8.0048 -10.4139 40.6788 -4.21066 -3.51852 -5.61344 -8.48118 TIMING: 210800 CPU: 663.658, 0.00315219/step Wall: 663.658, 0.00315219/step, 4.19346 hours remaining, 234.335938 MB of memory in use. ENERGY: 210800 3965.9162 20565.8119 14478.9823 235.9190 -202976.4089 2348.9520 0.0000 0.0000 52179.7610 -109201.0664 299.8778 -161380.8274 -108828.1849 299.9461 -285.6084 -250.8948 761712.6995 -12.8681 -12.8966 PRESSURE: 211000 -77.1753 158.191 179.89 158.191 135.419 144.922 179.89 144.921 -264.902 GPRESSURE: 211000 26.7425 243.494 218.048 186.823 101.524 252.789 262.497 168.299 -257.803 PRESSAVG: 211000 2.00132 -30.1945 -2.81976 -30.1944 -17.1612 -7.87208 -2.81978 -7.87211 27.8984 GPRESSAVG: 211000 1.97036 -29.1979 -1.8 -30.7838 -17.6189 -7.44514 -2.49609 -4.83443 28.2308 TIMING: 211000 CPU: 664.289, 0.00315738/step Wall: 664.289, 0.00315738/step, 4.2002 hours remaining, 234.335938 MB of memory in use. ENERGY: 211000 4025.6953 20323.2546 14499.4048 231.4197 -203103.3424 2453.1936 0.0000 0.0000 52264.9764 -109305.3978 300.3675 -161570.3742 -108940.8654 299.6704 -68.8859 -43.1790 762219.1274 4.2462 4.1941 PRESSURE: 211200 -110.225 -75.2823 -157.16 -75.2829 -164.438 70.4172 -157.161 70.4172 -176.548 GPRESSURE: 211200 -72.2002 -112.962 -202.448 -139.162 -195.949 73.7805 -201.693 43.6653 -103.868 PRESSAVG: 211200 -7.77056 -1.81541 10.696 -1.81536 24.418 74.8096 10.696 74.8097 -2.12867 GPRESSAVG: 211200 -7.3972 -1.24298 11.9186 -2.23547 23.5523 74.0298 11.4061 74.1805 -1.37124 TIMING: 211200 CPU: 664.92, 0.00315206/step Wall: 664.92, 0.00315206/step, 4.19295 hours remaining, 234.335938 MB of memory in use. ENERGY: 211200 4060.7471 20594.7974 14429.2667 249.3931 -203194.3563 2496.0342 0.0000 0.0000 52048.0250 -109316.0929 299.1207 -161364.1179 -108953.0496 299.4534 -150.4037 -124.0058 762810.0847 4.8396 4.9280 PRESSURE: 211400 -166.158 26.607 83.3423 26.6061 45.4126 -188.328 83.3427 -188.329 -21.8452 GPRESSURE: 211400 -224.315 -78.7526 119.634 -49.5514 145.042 -170.401 -14.826 -50.5822 12.101 PRESSAVG: 211400 -52.0672 -11.9496 -10.9158 -11.9496 -49.4633 14.3889 -10.9158 14.3889 -14.4868 GPRESSAVG: 211400 -51.93 -13.7135 -11.6064 -10.4396 -48.5072 15.052 -12.3532 12.9002 -15.5833 TIMING: 211400 CPU: 665.545, 0.00312506/step Wall: 665.545, 0.00312506/step, 4.15685 hours remaining, 234.335938 MB of memory in use. ENERGY: 211400 4044.4993 20421.0034 14481.5089 260.2039 -203775.9918 2993.1552 0.0000 0.0000 52189.3909 -109386.2302 299.9331 -161575.6211 -109033.5975 299.5215 -47.5302 -22.3905 762668.7053 -38.6724 -38.6735 PRESSURE: 211600 155.167 -28.0901 70.2147 -28.0906 139.175 80.0185 70.215 80.0178 -155.537 GPRESSURE: 211600 150.863 46.5562 137.876 -12.1163 179.271 129.897 119.354 -45.5025 -104.985 PRESSAVG: 211600 -83.6076 28.1522 70.1982 28.1523 50.0313 53.2341 70.1981 53.2341 -17.9698 GPRESSAVG: 211600 -83.8855 28.3457 68.9685 29.4949 48.9706 54.736 70.9705 53.7387 -16.6289 TIMING: 211600 CPU: 666.172, 0.00313524/step Wall: 666.172, 0.00313524/step, 4.17021 hours remaining, 234.335938 MB of memory in use. ENERGY: 211600 3922.7660 20562.4098 14394.9290 248.9017 -203126.6195 2778.2036 0.0000 0.0000 51973.3688 -109246.0405 298.6917 -161219.4093 -108895.8328 299.0434 46.2687 75.0498 763001.1164 -17.1820 -17.1813 PRESSURE: 211800 -92.5813 224.842 -49.0827 224.841 -87.4518 271.434 -49.0827 271.434 -84.1845 GPRESSURE: 211800 -27.5511 151.955 -31.333 118.173 -101.856 260.084 -31.5077 124.879 -57.0193 PRESSAVG: 211800 -25.229 -35.6096 18.0527 -35.6096 15.2882 21.6338 18.0527 21.6339 7.11554 GPRESSAVG: 211800 -24.3125 -34.626 18.3656 -37.5758 16.9781 19.1421 18.4051 22.6743 4.2435 TIMING: 211800 CPU: 666.798, 0.00313171/step Wall: 666.798, 0.00313171/step, 4.16535 hours remaining, 234.335938 MB of memory in use. ENERGY: 211800 4001.1894 20571.6704 14465.6442 255.4336 -203891.6817 3071.1363 0.0000 0.0000 52100.5977 -109426.0102 299.4229 -161526.6079 -109061.9645 299.0503 -88.0725 -62.1423 762548.0396 -0.9417 -1.0303 PRESSURE: 212000 22.1105 -32.3513 0.247349 -32.3506 29.4109 78.8835 0.24791 78.8837 194.757 GPRESSURE: 212000 -27.0626 -97.2389 -112.724 -90.063 174.905 113.636 146.734 91.1924 196.548 PRESSAVG: 212000 14.9616 -38.3015 12.9399 -38.3015 2.35223 24.6818 12.9399 24.6817 6.14979 GPRESSAVG: 212000 14.2068 -39.905 12.8957 -36.4127 1.95377 27.2884 13.0984 21.4543 7.03431 TIMING: 212000 CPU: 667.421, 0.00311259/step Wall: 667.421, 0.00311259/step, 4.13975 hours remaining, 234.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 212000 4005.7344 20460.4768 14515.0614 234.1149 -203419.6899 2800.9932 0.0000 0.0000 51933.3930 -109469.9161 298.4619 -161403.3090 -109104.1267 299.1817 82.0927 114.7968 762145.2701 7.8212 7.7316 PRESSURE: 212200 -92.7531 88.889 -140.392 88.8883 27.41 -163.361 -140.392 -163.361 -166.775 GPRESSURE: 212200 -89.4875 98.2427 -168.656 30.951 54.3389 -41.4987 -26.6468 -189.468 -100.064 PRESSAVG: 212200 10.0262 -2.62928 14.8452 -2.62924 -6.7291 10.1404 14.8453 10.1403 24.1978 GPRESSAVG: 212200 10.8593 -0.814285 13.8967 -5.7721 -6.90582 7.78016 14.9747 13.2831 24.1079 TIMING: 212200 CPU: 668.049, 0.00314155/step Wall: 668.049, 0.00314155/step, 4.17808 hours remaining, 234.335938 MB of memory in use. ENERGY: 212200 3863.8205 20536.7626 14494.2605 248.9302 -203157.6015 2484.2859 0.0000 0.0000 52049.4733 -109480.0686 299.1290 -161529.5418 -109113.6930 298.7810 -77.3725 -45.0709 761524.9908 9.1650 9.3538 LDB: ============= START OF LOAD BALANCING ============== 680.498 LDB: ============== END OF LOAD BALANCING =============== 680.498 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 680.5 LDB: ============= START OF LOAD BALANCING ============== 680.813 LDB: Largest compute 7026 load 0.035119 is 18.0% of average load 0.194947 LDB: Average compute 0.004356 is 2.2% of average load 0.194947 LDB: TIME 680.816 LOAD: AVG 0.194947 MAX 0.211196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.875 MB LDB: TIME 680.816 LOAD: AVG 0.194947 MAX 0.211196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: TIME 680.817 LOAD: AVG 0.194947 MAX 0.211196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: ============== END OF LOAD BALANCING =============== 680.818 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 680.823 PRESSURE: 212400 -20.9308 -204.537 -218.057 -204.536 -2.75177 -190.631 -218.057 -190.63 -118.933 GPRESSURE: 212400 -42.6662 -227.37 -276.968 -129.296 65.9958 -152.641 -260.311 -197.531 -75.9592 PRESSAVG: 212400 72.6012 -11.5713 -61.2129 -11.5713 -26.584 -4.74459 -61.2128 -4.74462 7.53806 GPRESSAVG: 212400 72.9244 -10.6769 -58.4865 -9.49213 -26.4515 -2.33378 -62.603 -4.58855 6.49102 TIMING: 212400 CPU: 668.687, 0.003192/step Wall: 668.687, 0.003192/step, 4.24501 hours remaining, 236.328125 MB of memory in use. ENERGY: 212400 3970.3519 20459.9254 14442.4967 246.3260 -203299.8383 2802.3611 0.0000 0.0000 52142.7254 -109235.6518 299.6650 -161378.3772 -108868.9757 299.1515 -47.5384 -17.5432 763530.5933 17.8518 17.6546 PRESSURE: 212600 1.09507 12.1861 -27.2466 12.1863 249.429 66.2415 -27.2456 66.2414 145.267 GPRESSURE: 212600 67.3266 -17.5667 29.3611 50.6151 307.817 126.556 34.923 223.247 95.2594 PRESSAVG: 212600 13.6463 -9.65179 28.062 -9.65173 -13.9467 34.8729 28.062 34.8729 1.11696 GPRESSAVG: 212600 14.4874 -11.5332 26.7594 -9.3935 -15.2395 34.4394 27.5732 33.3338 1.94196 TIMING: 212600 CPU: 669.31, 0.00311556/step Wall: 669.31, 0.00311556/step, 4.14317 hours remaining, 236.328125 MB of memory in use. ENERGY: 212600 3956.4733 20667.1453 14444.2692 245.0122 -203104.0659 2579.4024 0.0000 0.0000 51836.3773 -109375.3861 297.9044 -161211.7635 -109014.2251 299.0801 131.9306 156.8010 762017.3935 0.2722 0.3966 PRESSURE: 212800 156.939 106.36 20.2658 106.359 60.754 17.6719 20.2663 17.6726 -395.665 GPRESSURE: 212800 171.862 177.863 -100.541 153.931 146.042 49.3007 5.75485 -32.6301 -399.795 PRESSAVG: 212800 13.3688 17.979 44.3033 17.9791 23.779 16.7746 44.3033 16.7746 -11.5801 GPRESSAVG: 212800 12.3586 19.9718 43.6663 16.7139 23.625 16.1152 45.8914 16.6424 -10.3019 TIMING: 212800 CPU: 669.934, 0.0031169/step Wall: 669.934, 0.0031169/step, 4.14478 hours remaining, 236.328125 MB of memory in use. ENERGY: 212800 4018.0799 20284.9320 14353.6354 261.7655 -203197.0688 2705.1575 0.0000 0.0000 51929.8540 -109643.6445 298.4416 -161573.4985 -109278.7199 298.8289 -59.3239 -27.2969 762832.8510 8.5225 8.5606 PRESSURE: 213000 -371.022 -80.9233 -84.6386 -80.9235 179.479 6.94124 -84.6387 6.93976 -34.5972 GPRESSURE: 213000 -263.835 -42.661 -47.0244 -132.081 181.79 -20.4602 -64.8383 24.7912 -60.2716 PRESSAVG: 213000 31.8611 -1.5371 27.094 -1.53713 -44.4992 -13.8052 27.094 -13.8052 2.29615 GPRESSAVG: 213000 31.7007 -2.98287 27.4945 -0.0891358 -43.2732 -14.262 25.9936 -13.2546 1.61405 TIMING: 213000 CPU: 670.557, 0.00311357/step Wall: 670.557, 0.00311357/step, 4.14018 hours remaining, 236.328125 MB of memory in use. ENERGY: 213000 3975.5298 20535.2565 14515.1665 234.6058 -203099.7342 2314.2688 0.0000 0.0000 51917.0746 -109607.8322 298.3681 -161524.9068 -109250.4813 298.6232 -75.3803 -47.4388 760422.9427 -3.4473 -3.3195 PRESSURE: 213200 -206.473 -200.696 18.5378 -200.696 -211.494 258.161 18.5377 258.16 -221.941 GPRESSURE: 213200 -136.18 -155.708 40.8413 -84.3954 -209.145 316.087 -7.82222 82.5081 -230.835 PRESSAVG: 213200 47.8164 -15.5113 -1.15555 -15.5113 -102.51 16.4278 -1.15559 16.4278 -8.19572 GPRESSAVG: 213200 48.6716 -15.4361 -1.03262 -15.9606 -102.277 17.4333 -0.434215 15.7288 -8.9439 TIMING: 213200 CPU: 671.183, 0.00313102/step Wall: 671.183, 0.00313101/step, 4.16321 hours remaining, 236.328125 MB of memory in use. ENERGY: 213200 3943.5712 20480.1895 14466.8179 223.9093 -203023.3015 2370.3466 0.0000 0.0000 51874.6099 -109663.8571 298.1241 -161538.4670 -109297.2936 298.5323 -213.3025 -192.0533 762317.3068 -20.9630 -20.8497 PRESSURE: 213400 315.33 -77.9521 199.495 -77.9518 -210.071 99.066 199.495 99.0666 -411.806 GPRESSURE: 213400 350.567 -193.818 285.461 -63.38 -133.362 -2.68562 -41.8432 116.429 -444.032 PRESSAVG: 213400 0.593106 -49.0429 46.2673 -49.0429 -22.3476 41.5535 46.2673 41.5536 22.8692 GPRESSAVG: 213400 -0.251612 -51.2394 46.7378 -48.6183 -22.9763 40.3191 44.6872 41.5081 23.5163 TIMING: 213400 CPU: 671.809, 0.00313029/step Wall: 671.809, 0.00313029/step, 4.16207 hours remaining, 236.328125 MB of memory in use. ENERGY: 213400 4082.9529 20386.0606 14403.3141 252.3152 -203649.0710 2825.3634 0.0000 0.0000 51911.8752 -109787.1896 298.3383 -161699.0648 -109433.2316 298.5061 -102.1823 -75.6090 761214.1879 0.3716 0.0961 PRESSURE: 213600 -218.215 -10.2486 -35.416 -10.2485 -293.657 -258.9 -35.4155 -258.899 14.0106 GPRESSURE: 213600 -120.662 -20.4911 30.2606 -103.754 -234.997 -208.152 -53.8871 -196.785 -46.7021 PRESSAVG: 213600 25.474 -13.7366 4.13075 -13.7366 -36.7957 -5.05037 4.13071 -5.05042 -8.25624 GPRESSAVG: 213600 26.4908 -11.4628 3.29509 -14.8728 -36.5417 -4.65508 5.72249 -4.75106 -10.1096 TIMING: 213600 CPU: 672.437, 0.00313971/step Wall: 672.437, 0.00313971/step, 4.17442 hours remaining, 236.328125 MB of memory in use. ENERGY: 213600 4005.5598 20576.4741 14375.6317 266.8039 -203353.7785 2634.2371 0.0000 0.0000 51717.2209 -109777.8511 297.2196 -161495.0720 -109418.0535 297.8504 -165.9535 -134.1206 762175.0184 -6.5260 -6.7202 PRESSURE: 213800 35.8134 48.141 104.007 48.1402 -60.5184 184.386 104.007 184.386 32.1619 GPRESSURE: 213800 58.3228 140.468 143.293 57.8715 -58.5782 142.374 136.126 114.606 65.6691 PRESSAVG: 213800 15.5119 -63.7828 5.38196 -63.7828 -30.6252 -14.1538 5.38194 -14.1539 31.4048 GPRESSAVG: 213800 14.9171 -63.1542 5.58889 -63.2679 -31.483 -14.2949 5.87307 -13.8445 32.7233 TIMING: 213800 CPU: 673.068, 0.00315748/step Wall: 673.068, 0.00315748/step, 4.19786 hours remaining, 236.328125 MB of memory in use. ENERGY: 213800 4035.3537 20628.7594 14402.1165 256.8751 -203582.3837 2601.9186 0.0000 0.0000 51713.7353 -109943.6249 297.1995 -161657.3602 -109584.1002 298.5740 2.4857 21.8045 760844.7249 5.4305 5.3858 PRESSURE: 214000 225.512 65.3122 -97.8365 65.3115 -102.73 -94.3393 -97.8359 -94.3387 83.0134 GPRESSURE: 214000 300.486 56.4273 -71.5873 29.4878 -40.1661 50.6914 -60.395 -84.1681 48.2464 PRESSAVG: 214000 11.1602 -70.5094 14.2408 -70.5094 -47.467 -17.6821 14.2408 -17.682 1.77514 GPRESSAVG: 214000 10.9365 -72.6733 13.8505 -71.6985 -46.2232 -18.9631 13.0329 -15.7708 0.973896 TIMING: 214000 CPU: 673.695, 0.00313316/step Wall: 673.695, 0.00313316/step, 4.16537 hours remaining, 236.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 214000 3986.1876 20414.1480 14417.4712 244.6629 -203491.1895 2611.4304 0.0000 0.0000 51934.9794 -109882.3099 298.4710 -161817.2893 -109512.7209 298.5978 68.5984 102.8555 759317.7836 -11.5106 -11.4376 PRESSURE: 214200 -68.3524 -78.9935 90.8618 -78.9941 -64.2031 -86.0474 90.8611 -86.0473 8.45338 GPRESSURE: 214200 -25.14 -78.7831 -6.06646 -24.5191 27.8055 1.54837 158.658 -18.4321 -22.6962 PRESSAVG: 214200 -10.536 -23.9549 -9.77521 -23.9549 16.6686 25.5876 -9.77517 25.5876 -1.91042 GPRESSAVG: 214200 -11.8362 -23.295 -9.46153 -22.2737 16.9903 28.0708 -9.17145 23.0812 -1.6789 TIMING: 214200 CPU: 674.327, 0.00316055/step Wall: 674.327, 0.00316055/step, 4.2016 hours remaining, 236.328125 MB of memory in use. ENERGY: 214200 3952.2831 20449.1377 14426.1219 249.7363 -203799.1655 2637.9331 0.0000 0.0000 52032.9706 -110050.9828 299.0342 -162083.9534 -109676.5328 298.1671 -41.3674 -6.6769 759465.8892 1.4074 1.1584 PRESSURE: 214400 -145.98 -133.389 -206.712 -133.389 -282.712 88.0864 -206.713 88.0877 -323.073 GPRESSURE: 214400 -185.893 -9.88771 -210.913 -45.9862 -234.628 137.582 -236.395 -21.6367 -236.271 PRESSAVG: 214400 -7.65655 -31.614 -20.3485 -31.614 14.81 -6.20237 -20.3485 -6.20238 -19.0401 GPRESSAVG: 214400 -6.85124 -31.8388 -20.9529 -30.5828 14.1161 -6.17419 -21.2287 -7.70424 -19.205 TIMING: 214400 CPU: 674.958, 0.0031566/step Wall: 674.958, 0.0031566/step, 4.19618 hours remaining, 236.328125 MB of memory in use. ENERGY: 214400 4053.3414 20486.5889 14446.9658 261.3226 -203757.9647 2550.7383 0.0000 0.0000 51855.8098 -110103.1979 298.0161 -161959.0077 -109741.3745 298.4040 -250.5884 -218.9306 759267.3211 -3.9622 -3.9800 PRESSURE: 214600 -175.271 -51.2766 -211.889 -51.276 -146.555 78.6864 -211.889 78.686 64.0092 GPRESSURE: 214600 -115.847 8.81992 -285.874 -51.2318 -191.406 33.3513 -108.62 93.8339 126.852 PRESSAVG: 214600 21.1631 -1.92216 -12.6683 -1.92215 -39.9977 3.0098 -12.6684 3.00978 -3.04802 GPRESSAVG: 214600 19.3712 -2.59014 -12.0427 -2.04874 -40.2626 3.13903 -11.4813 7.52097 -2.44145 TIMING: 214600 CPU: 675.585, 0.00313424/step Wall: 675.585, 0.00313424/step, 4.16627 hours remaining, 236.328125 MB of memory in use. ENERGY: 214600 3939.7460 20534.9142 14403.9958 229.4818 -203572.0987 2405.4631 0.0000 0.0000 52115.7845 -109942.7133 299.5101 -162058.4979 -109567.9980 298.5513 -85.9388 -60.1338 760538.2581 -7.2942 -7.7776 PRESSURE: 214800 -35.9729 -214.398 -103.033 -214.398 210.674 -16.8033 -103.032 -16.8032 -152.556 GPRESSURE: 214800 -40.3462 -181.477 7.42867 -227.574 228.53 -94.2741 -44.3437 -54.1058 -62.6349 PRESSAVG: 214800 87.1267 -30.0529 8.41164 -30.053 -80.0776 30.5161 8.41165 30.5162 -4.81919 GPRESSAVG: 214800 88.3312 -28.2276 9.07449 -30.7478 -81.4016 29.7739 8.44313 26.8109 -4.26711 TIMING: 214800 CPU: 676.21, 0.00312297/step Wall: 676.21, 0.00312297/step, 4.15112 hours remaining, 236.328125 MB of memory in use. ENERGY: 214800 3931.7746 20526.6055 14458.1151 228.5927 -203407.3845 2461.0965 0.0000 0.0000 51861.7720 -109939.4282 298.0503 -161801.2002 -109566.1663 298.1349 7.3818 41.8497 759307.7448 0.7433 0.8875 PRESSURE: 215000 310.208 -164.146 -70.3648 -164.146 139.349 21.3806 -70.3645 21.3794 170.611 GPRESSURE: 215000 318.939 -171.681 -108.748 -115.176 237.629 38.0876 -2.64339 -182.434 174.919 PRESSAVG: 215000 20.647 -44.6679 -39.6115 -44.668 32.2367 12.286 -39.6115 12.2859 -14.3114 GPRESSAVG: 215000 20.1666 -45.4808 -39.8353 -44.7122 34.1132 11.8482 -38.2622 13.7934 -15.7914 TIMING: 215000 CPU: 676.838, 0.00314296/step Wall: 676.838, 0.00314296/step, 4.17752 hours remaining, 236.328125 MB of memory in use. ENERGY: 215000 3947.0621 20524.1963 14453.0763 258.1535 -203650.2022 2652.7885 0.0000 0.0000 51787.9800 -110026.9455 297.6262 -161814.9255 -109662.0759 298.0483 206.7226 243.8291 757764.7332 12.8574 12.8295 PRESSURE: 215200 86.0137 45.611 220.574 45.6113 73.4029 -51.8958 220.574 -51.8972 -224.315 GPRESSURE: 215200 22.3082 14.5102 215.641 10.9813 122.556 -7.78409 241.514 -149.19 -135.003 PRESSAVG: 215200 52.4608 -54.7235 12.6974 -54.7235 -8.72703 17.287 12.6974 17.2869 0.16077 GPRESSAVG: 215200 51.8088 -53.2115 12.8187 -56.1691 -9.29684 18.2549 10.7292 17.0954 1.08853 TIMING: 215200 CPU: 677.473, 0.00317377/step Wall: 677.473, 0.00317377/step, 4.21829 hours remaining, 236.328125 MB of memory in use. ENERGY: 215200 3995.7640 20552.0073 14480.1067 279.0817 -203094.2266 2299.3201 0.0000 0.0000 51476.4594 -110011.4873 295.8359 -161487.9468 -109651.2373 298.0130 -21.6329 3.2870 760217.7650 14.6315 14.5335 PRESSURE: 215400 -2.2282 34.6013 162.847 34.6011 -111.859 -110.368 162.848 -110.366 -26.6442 GPRESSURE: 215400 -4.34382 -78.0262 164.119 -44.3484 -54.185 -127.439 155.166 -2.5969 9.93783 PRESSAVG: 215400 12.8018 11.0533 42.0032 11.0533 37.5627 40.5525 42.0032 40.5525 23.6835 GPRESSAVG: 215400 12.1548 11.2187 43.6302 10.2127 37.8743 40.3302 41.2519 39.2431 23.9933 TIMING: 215400 CPU: 678.106, 0.00316666/step Wall: 678.106, 0.00316666/step, 4.20867 hours remaining, 236.328125 MB of memory in use. ENERGY: 215400 3939.0965 20371.7992 14373.4043 250.9075 -203227.0167 2449.3673 0.0000 0.0000 51765.2415 -110077.2005 297.4956 -161842.4420 -109712.4344 297.5548 -46.9104 -16.1970 759075.4870 24.6827 24.6742 PRESSURE: 215600 117.689 238.437 395.864 238.437 83.5535 -23.2287 395.865 -23.2285 38.493 GPRESSURE: 215600 106.474 231.095 289.706 151.861 160.252 -119.187 438.343 -71.6166 50.6494 PRESSAVG: 215600 47.0146 -6.48966 36.2612 -6.48965 -35.9632 46.5053 36.2611 46.5054 8.07423 GPRESSAVG: 215600 47.7217 -6.64205 33.1954 -6.60199 -36.54 46.5734 38.9813 46.8433 8.10259 TIMING: 215600 CPU: 678.736, 0.00315039/step Wall: 678.736, 0.00315039/step, 4.18686 hours remaining, 236.328125 MB of memory in use. ENERGY: 215600 4009.7231 20368.5348 14388.8470 236.3953 -203940.7173 2962.5906 0.0000 0.0000 51860.1919 -110114.4347 298.0412 -161974.6266 -109756.2964 297.5681 79.9119 105.7921 760888.5570 6.3752 6.4281 PRESSURE: 215800 -98.856 23.3144 -70.1768 23.3139 -106.901 -127.434 -70.1762 -127.434 -224.576 GPRESSURE: 215800 -102.578 44.999 -40.0484 -92.185 -52.6112 -100.805 -63.4896 -138.857 -169.5 PRESSAVG: 215800 30.8689 16.8587 40.7186 16.8586 7.48575 40.3203 40.7186 40.3203 16.2512 GPRESSAVG: 215800 32.2559 18.8075 41.5046 17.454 7.16337 39.6178 39.7407 42.1116 15.2821 TIMING: 215800 CPU: 679.366, 0.00314801/step Wall: 679.366, 0.00314801/step, 4.18354 hours remaining, 236.328125 MB of memory in use. ENERGY: 215800 3968.2674 20553.7271 14418.5453 239.7755 -203759.1590 2591.6734 0.0000 0.0000 51982.7555 -110004.4148 298.7456 -161987.1703 -109635.2282 297.6172 -143.4444 -108.2296 759249.7623 18.2020 18.2338 PRESSURE: 216000 -155.175 -45.5007 108.881 -45.502 130.843 159.27 108.882 159.27 -109.685 GPRESSURE: 216000 -86.5201 -8.28407 139.683 -78.9739 117.511 258.548 105.711 -72.3976 -80.6381 PRESSAVG: 216000 -8.60651 -55.1644 14.9083 -55.1644 -2.71647 21.7007 14.9084 21.7007 -22.1531 GPRESSAVG: 216000 -9.72008 -58.1289 16.7902 -51.2633 -2.9282 23.312 13.7036 19.0622 -20.6718 TIMING: 216000 CPU: 679.995, 0.00314603/step Wall: 679.995, 0.00314603/step, 4.18072 hours remaining, 236.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 216000 3925.8392 20445.5726 14472.5839 235.9166 -203451.9876 2470.2167 0.0000 0.0000 51871.2785 -110030.5801 298.1050 -161901.8587 -109664.4664 297.8422 -44.6723 -16.5491 759763.9656 -11.1587 -11.1067 PRESSURE: 216200 50.0718 143.218 121.156 143.22 -137.334 37.3197 121.156 37.3202 -248.289 GPRESSURE: 216200 6.87731 161.736 210.396 79.2852 -130.969 6.86758 242.583 40.5726 -119.228 PRESSAVG: 216200 -1.76655 -42.7319 34.1797 -42.7319 3.26971 19.6265 34.1797 19.6265 -5.6704 GPRESSAVG: 216200 -2.45807 -44.3365 33.3787 -44.8104 3.46381 18.5328 36.9962 21.78 -5.64291 TIMING: 216200 CPU: 680.626, 0.00315425/step Wall: 680.626, 0.00315425/step, 4.19147 hours remaining, 236.328125 MB of memory in use. ENERGY: 216200 3907.8009 20498.1970 14461.7952 250.4399 -202860.7808 2097.0267 0.0000 0.0000 51715.5480 -109929.9730 297.2100 -161645.5210 -109571.0885 297.8676 -111.8504 -81.1065 758959.7602 -1.3891 -1.5457 LDB: ============= START OF LOAD BALANCING ============== 693.076 LDB: ============== END OF LOAD BALANCING =============== 693.076 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 693.078 LDB: ============= START OF LOAD BALANCING ============== 693.394 LDB: Largest compute 7060 load 0.035383 is 18.2% of average load 0.194812 LDB: Average compute 0.004384 is 2.3% of average load 0.194812 LDB: TIME 693.398 LOAD: AVG 0.194812 MAX 0.211686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.051 MB LDB: TIME 693.398 LOAD: AVG 0.194812 MAX 0.211686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.254 MB LDB: TIME 693.398 LOAD: AVG 0.194812 MAX 0.211686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.254 MB LDB: ============== END OF LOAD BALANCING =============== 693.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 693.405 PRESSURE: 216400 47.4797 -167.325 5.37693 -167.325 -290.691 80.7331 5.37695 80.7321 -61.9869 GPRESSURE: 216400 40.0619 -151.402 37.4468 -140.909 -223.919 54.0747 -4.78351 44.4999 -36.1191 PRESSAVG: 216400 26.1716 -23.422 62.9581 -23.4219 -28.9427 -4.82878 62.958 -4.82876 -13.34 GPRESSAVG: 216400 27.0288 -20.1168 64.7036 -22.6329 -28.5323 -3.63373 59.1 -6.68393 -14.1453 TIMING: 216400 CPU: 681.269, 0.00321648/step Wall: 681.269, 0.00321648/step, 4.27399 hours remaining, 235.761719 MB of memory in use. ENERGY: 216400 4010.2115 20447.0467 14465.2649 259.0403 -203026.6451 2365.0971 0.0000 0.0000 51860.7094 -109619.2751 298.0442 -161479.9845 -109254.1623 298.3774 -101.7327 -73.3253 760528.2439 -5.3704 -5.2163 PRESSURE: 216600 -52.4234 -0.663491 90.1691 -0.663328 166.298 33.8757 90.1693 33.8778 -186.959 GPRESSURE: 216600 -15.1516 83.3835 131.303 -61.8817 141.982 -7.49092 130.811 30.9869 -109.925 PRESSAVG: 216600 25.4782 -11.0163 -17.5792 -11.0162 -6.11223 4.47282 -17.5792 4.4729 -4.52463 GPRESSAVG: 216600 24.4484 -13.155 -18.2237 -11.3757 -6.09967 4.07815 -15.4716 7.24972 -3.62033 TIMING: 216600 CPU: 681.901, 0.00315957/step Wall: 681.901, 0.00315957/step, 4.19819 hours remaining, 235.761719 MB of memory in use. ENERGY: 216600 3988.8566 20683.6840 14346.6449 264.5558 -203077.6122 2585.7832 0.0000 0.0000 51812.9474 -109395.1402 297.7697 -161208.0876 -109040.0657 298.8443 -24.3614 5.6353 760676.5859 4.9471 4.9095 PRESSURE: 216800 77.2308 -51.8247 101.431 -51.8245 -155.809 -7.17017 101.431 -7.17068 -16.5503 GPRESSURE: 216800 60.8465 -83.9959 77.7014 16.202 -97.1321 52.5463 -18.3801 16.4154 43.7601 PRESSAVG: 216800 -29.3454 20.7934 -2.94354 20.7933 27.3177 8.90518 -2.94348 8.90519 9.73575 GPRESSAVG: 216800 -28.7182 21.2523 -4.36343 18.9284 27.5322 8.3852 -2.99221 8.11369 9.08297 TIMING: 216800 CPU: 682.531, 0.00314883/step Wall: 682.531, 0.00314883/step, 4.18375 hours remaining, 235.761719 MB of memory in use. ENERGY: 216800 3905.8022 20606.0270 14455.3175 258.3583 -202957.6757 2381.4490 0.0000 0.0000 52067.1399 -109283.5818 299.2306 -161350.7217 -108934.5520 299.6373 -31.7096 2.4915 762058.4312 2.5694 2.6323 PRESSURE: 217000 329.551 38.4867 76.9518 38.4865 253.561 -2.42826 76.9514 -2.42726 -210.77 GPRESSURE: 217000 279.485 79.9671 146.76 8.22474 277.368 -96.621 133.433 -59.0587 -106.573 PRESSAVG: 217000 -13.9935 1.52932 8.08237 1.52936 54.1309 8.21654 8.08235 8.21651 28.6946 GPRESSAVG: 217000 -13.4994 1.75475 8.0105 3.15778 53.8378 6.65279 9.75838 8.35866 28.2615 TIMING: 217000 CPU: 683.162, 0.0031546/step Wall: 683.162, 0.0031546/step, 4.19124 hours remaining, 235.761719 MB of memory in use. ENERGY: 217000 4011.9117 20627.7808 14475.1527 263.4911 -203605.9600 2796.0784 0.0000 0.0000 52002.6306 -109428.9147 298.8598 -161431.5453 -109080.1795 299.7058 124.1138 150.0931 760050.9050 22.9440 22.8666 PRESSURE: 217200 -310.978 168.962 -106.717 168.963 455.745 -249.918 -106.717 -249.918 -158.959 GPRESSURE: 217200 -114.15 128.647 -96.2529 201.899 326.957 -184.278 -139.629 -209.848 -134.976 PRESSAVG: 217200 37.6473 12.1597 66.148 12.1596 4.87183 0.33072 66.148 0.330705 -11.9208 GPRESSAVG: 217200 37.2649 12.2297 65.2436 10.8215 4.94358 1.10578 64.2934 -0.057748 -11.2343 TIMING: 217200 CPU: 683.789, 0.00313314/step Wall: 683.789, 0.00313314/step, 4.16255 hours remaining, 235.761719 MB of memory in use. ENERGY: 217200 4013.3850 20448.2350 14477.8132 254.2279 -203547.2546 2783.1146 0.0000 0.0000 52003.1027 -109567.3762 298.8625 -161570.4789 -109210.2511 299.0255 -4.7308 25.9435 761368.1923 10.1995 10.3247 PRESSURE: 217400 63.5786 -55.3692 -7.2195 -55.3694 84.0076 -445.127 -7.21919 -445.128 32.9088 GPRESSURE: 217400 16.5279 -72.2541 22.947 -2.4534 144.492 -389.672 81.4344 -223.713 107.134 PRESSAVG: 217400 -30.5562 -21.6893 20.1665 -21.6893 5.571 -55.8718 20.1666 -55.8718 3.30866 GPRESSAVG: 217400 -29.3093 -21.8091 20.2779 -23.2018 3.81603 -56.4117 18.0013 -54.7417 3.22399 TIMING: 217400 CPU: 684.421, 0.00315921/step Wall: 684.421, 0.00315921/step, 4.19701 hours remaining, 235.761719 MB of memory in use. ENERGY: 217400 4043.5263 20507.4298 14446.1183 253.9903 -203192.7756 2592.5990 0.0000 0.0000 51621.8788 -109727.2330 296.6716 -161349.1119 -109376.7594 298.2825 60.1650 89.3847 761681.1325 -7.2255 -7.4231 PRESSURE: 217600 -68.4519 -11.1064 -272.669 -11.1065 90.3872 -15.7513 -272.669 -15.7503 282.348 GPRESSURE: 217600 -24.3792 -18.183 -242.601 -10.861 139.467 7.91945 -273.385 -100.514 275.841 PRESSAVG: 217600 23.1703 -41.3425 18.2305 -41.3425 -56.6277 16.358 18.2305 16.3579 -5.41222 GPRESSAVG: 217600 21.5099 -41.7784 19.8414 -39.4072 -54.2091 17.1719 20.9911 17.3363 -7.00755 TIMING: 217600 CPU: 685.046, 0.00312755/step Wall: 685.046, 0.00312755/step, 4.15477 hours remaining, 235.761719 MB of memory in use. ENERGY: 217600 4021.5233 20543.6111 14466.8663 264.1533 -203162.3699 2594.5264 0.0000 0.0000 51813.9727 -109457.7169 297.7756 -161271.6896 -109094.1937 298.3457 101.4277 130.3096 761569.9304 -12.9566 -13.2356 PRESSURE: 217800 236.112 -168.081 78.9337 -168.081 187.592 -189.781 78.9339 -189.781 63.4549 GPRESSURE: 217800 236.485 -151.364 73.9584 -148.484 154.898 -153.765 190.05 -144.522 194.012 PRESSAVG: 217800 -19.5469 -63.1891 -15.903 -63.1891 -0.927533 54.4721 -15.903 54.4721 -8.16978 GPRESSAVG: 217800 -18.734 -63.8416 -16.8589 -64.1857 -2.88677 54.16 -16.6828 53.008 -7.05534 TIMING: 217800 CPU: 685.674, 0.00313801/step Wall: 685.674, 0.00313801/step, 4.1685 hours remaining, 235.761719 MB of memory in use. ENERGY: 217800 4002.1752 20388.5802 14526.0014 263.8150 -203253.1732 2795.5845 0.0000 0.0000 51830.4531 -109446.5638 297.8703 -161277.0169 -109075.7286 299.0504 162.3865 195.1316 761553.8436 -9.5481 -9.5587 PRESSURE: 218000 160.616 -198.7 -0.198926 -198.7 127.499 3.67079 -0.200057 3.67157 -85.892 GPRESSURE: 218000 110.084 -182.493 -116.34 -137.903 102.54 94.6551 58.4174 -44.8711 90.0944 PRESSAVG: 218000 -45.5181 -56.8689 16.9881 -56.8689 28.5649 6.72835 16.988 6.72826 -26.9127 GPRESSAVG: 218000 -46.5316 -56.3262 16.6234 -55.8583 30.239 7.58837 17.1234 8.08814 -27.7805 TIMING: 218000 CPU: 686.308, 0.00316994/step Wall: 686.308, 0.00316994/step, 4.21073 hours remaining, 235.761719 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: 218000 4014.6739 20516.9563 14507.0950 247.1731 -203724.0589 2857.4740 0.0000 0.0000 52109.0286 -109471.6579 299.4713 -161580.6865 -109105.0488 299.0838 67.4076 100.9063 759149.3193 -14.6220 -14.6910 PRESSURE: 218200 -18.7638 -84.5949 -74.1269 -84.5946 -314.752 40.5363 -74.1265 40.5359 74.6381 GPRESSURE: 218200 40.9809 -193.212 -51.2651 -2.76433 -274.095 -34.191 -224.177 2.91116 65.9366 PRESSAVG: 218200 42.7684 -63.2577 -18.8317 -63.2576 -54.6898 -31.1994 -18.8317 -31.1994 -10.0958 GPRESSAVG: 218200 43.8901 -65.139 -19.6595 -64.8578 -55.067 -32.6294 -18.4384 -32.3355 -10.626 TIMING: 218200 CPU: 686.94, 0.00316197/step Wall: 686.94, 0.00316197/step, 4.19997 hours remaining, 235.761719 MB of memory in use. ENERGY: 218200 3995.5283 20446.6356 14455.7777 244.0437 -202946.3631 2289.2500 0.0000 0.0000 52088.8377 -109426.2898 299.3553 -161515.1276 -109074.8690 298.9673 -86.2925 -55.7257 761912.2220 -7.3391 -7.2676 PRESSURE: 218400 -132.847 -263.661 10.2854 -263.66 118.072 -242.431 10.2855 -242.43 -163.839 GPRESSURE: 218400 -225.381 -208.456 151.393 -325.42 222.006 -242.383 20.2276 -168.305 -72.96 PRESSAVG: 218400 10.3922 -50.1517 42.9122 -50.1518 -5.41592 28.7317 42.9122 28.7318 5.9466 GPRESSAVG: 218400 9.89034 -50.3738 43.4117 -48.2391 -5.50647 29.567 43.587 27.9804 6.40698 TIMING: 218400 CPU: 687.568, 0.00314218/step Wall: 687.568, 0.00314218/step, 4.17351 hours remaining, 235.761719 MB of memory in use. ENERGY: 218400 4014.1547 20429.5246 14509.4121 264.7630 -203296.7319 2491.2145 0.0000 0.0000 52033.6303 -109554.0327 299.0380 -161587.6630 -109194.1370 299.1912 -59.5381 -25.4451 760240.6183 3.6410 3.5969 PRESSURE: 218600 -220.636 36.4581 -47.387 36.4579 229.327 53.3942 -47.3872 53.3941 -333.967 GPRESSURE: 218600 -227.584 36.9924 -8.35268 22.4937 244.346 54.6988 -154.376 48.1935 -255.852 PRESSAVG: 218600 3.902 -68.5698 42.2594 -68.5697 7.86179 -36.3214 42.2594 -36.3216 -1.87455 GPRESSAVG: 218600 5.16312 -69.1624 42.9548 -68.7257 6.66171 -34.4048 40.6766 -34.4201 -1.67348 TIMING: 218600 CPU: 688.202, 0.0031658/step Wall: 688.202, 0.0031658/step, 4.20471 hours remaining, 235.761719 MB of memory in use. ENERGY: 218600 3988.7993 20585.8584 14560.7131 265.9192 -203280.2823 2294.6834 0.0000 0.0000 52035.8000 -109548.5088 299.0505 -161584.3088 -109188.1397 298.9395 -108.4255 -79.6964 761427.4040 3.2964 3.3838 PRESSURE: 218800 134.807 -104.575 -243.315 -104.574 -117.037 40.6181 -243.315 40.6178 -287.87 GPRESSURE: 218800 110.871 -28.2927 -204.349 -146.358 -51.8511 -33.5235 -215.401 28.0273 -236.099 PRESSAVG: 218800 52.9655 -41.0902 -50.0715 -41.0901 -75.2464 34.0808 -50.0715 34.0808 32.7227 GPRESSAVG: 218800 51.9905 -39.2401 -49.7174 -43.0379 -73.8406 33.7556 -48.7417 34.4256 32.0238 TIMING: 218800 CPU: 688.831, 0.00314648/step Wall: 688.831, 0.00314648/step, 4.17887 hours remaining, 235.761719 MB of memory in use. ENERGY: 218800 4027.7001 20688.9610 14431.1737 244.1069 -202796.1947 2183.3999 0.0000 0.0000 51812.5564 -109408.2966 297.7675 -161220.8530 -109060.7587 298.8135 -90.0329 -59.0262 762388.6342 3.4806 3.3912 PRESSURE: 219000 404.667 -26.2817 -21.9526 -26.2817 -104.273 -128.016 -21.9535 -128.016 347.702 GPRESSURE: 219000 496.757 -66.8137 -110.374 -91.5278 -89.6202 -194.761 7.11366 6.61606 297.956 PRESSAVG: 219000 35.4821 -60.2084 -41.0037 -60.2084 -27.8409 -7.45993 -41.0037 -7.45989 -5.91853 GPRESSAVG: 219000 35.9081 -62.7099 -41.7552 -60.6867 -29.0638 -8.70215 -40.6332 -8.14516 -5.38387 TIMING: 219000 CPU: 689.458, 0.00313692/step Wall: 689.458, 0.00313692/step, 4.16601 hours remaining, 235.761719 MB of memory in use. ENERGY: 219000 3951.9443 20475.2242 14398.0982 251.2862 -203299.6776 2610.6153 0.0000 0.0000 52303.1037 -109309.4058 300.5867 -161612.5095 -108942.8235 299.6165 216.0318 235.0308 761603.5347 0.5742 0.4868 PRESSURE: 219200 -226.694 86.2533 152.05 86.2532 -132.424 -127.931 152.05 -127.931 149.286 GPRESSURE: 219200 -263.162 -8.89735 155.885 116.436 -38.8475 -202.75 148.275 -170.309 165.485 PRESSAVG: 219200 38.5229 -53.6201 -22.2173 -53.6201 -5.84213 35.3426 -22.2172 35.3425 27.8743 GPRESSAVG: 219200 38.9305 -51.7534 -22.084 -52.4334 -5.59184 35.7114 -24.1785 35.3353 26.5279 TIMING: 219200 CPU: 690.086, 0.00313814/step Wall: 690.086, 0.00313814/step, 4.16745 hours remaining, 235.761719 MB of memory in use. ENERGY: 219200 3960.9302 20509.5224 14460.1526 259.1456 -203602.9010 2911.7101 0.0000 0.0000 51962.2817 -109539.1585 298.6279 -161501.4402 -109179.8861 299.3314 -69.9439 -45.5085 761806.7929 20.1850 19.9555 PRESSURE: 219400 -84.5 -58.5824 -84.503 -58.582 221.748 -363.622 -84.5028 -363.622 421.592 GPRESSURE: 219400 25.5299 70.712 -33.7612 78.2109 183.699 -415.813 32.4524 -385.325 450.238 PRESSAVG: 219400 -10.7739 -33.4755 -16.2166 -33.4755 -2.27975 -2.34501 -16.2166 -2.34496 4.95091 GPRESSAVG: 219400 -10.8931 -33.4212 -16.1606 -31.2852 -2.20663 -2.38026 -16.0541 -3.95951 5.48981 TIMING: 219400 CPU: 690.712, 0.00313266/step Wall: 690.712, 0.00313266/step, 4.16 hours remaining, 235.761719 MB of memory in use. ENERGY: 219400 4069.3606 20499.9412 14472.4692 242.0433 -203579.2907 2745.9943 0.0000 0.0000 52129.4203 -109420.0616 299.5885 -161549.4820 -109068.7627 299.3029 186.2802 219.8225 760780.0721 -2.7009 -2.5366 PRESSURE: 219600 142.804 158.275 -447.471 158.276 -107.967 43.0748 -447.471 43.0745 -13.9959 GPRESSURE: 219600 134.818 39.0778 -458.897 132.383 45.8134 126.791 -334.771 118.683 -48.4672 PRESSAVG: 219600 20.0097 27.5452 29.0378 27.5452 -30.0218 9.85902 29.0379 9.85904 -12.7988 GPRESSAVG: 219600 20.1618 28.0685 29.167 25.3639 -30.3636 10.2863 29.8476 10.2345 -12.8823 TIMING: 219600 CPU: 691.341, 0.00314075/step Wall: 691.341, 0.00314075/step, 4.17056 hours remaining, 235.761719 MB of memory in use. ENERGY: 219600 3975.7220 20608.1949 14480.7708 256.7914 -203422.9817 2605.3784 0.0000 0.0000 52026.5031 -109469.6211 298.9970 -161496.1242 -109102.0310 299.8152 6.9472 44.0548 762075.0625 -7.6036 -7.6947 PRESSURE: 219800 -296.468 183.128 -31.38 183.128 -399.851 66.0562 -31.38 66.0569 -201.599 GPRESSURE: 219800 -306.975 126.184 -89.2244 95.2647 -300.276 101.174 -56.334 172.251 -194.885 PRESSAVG: 219800 -16.3226 -13.205 -79.9314 -13.205 34.8179 47.7758 -79.9314 47.7758 -4.20236 GPRESSAVG: 219800 -16.9945 -13.5537 -78.6095 -14.7267 35.9222 49.1896 -81.5856 48.5378 -4.62311 TIMING: 219800 CPU: 691.972, 0.00315892/step Wall: 691.972, 0.00315892/step, 4.19452 hours remaining, 235.761719 MB of memory in use. ENERGY: 219800 4022.3011 20473.4168 14484.0812 248.0074 -203213.8017 2253.9190 0.0000 0.0000 52138.4181 -109593.6581 299.6402 -161732.0761 -109230.4614 298.7845 -299.3064 -267.3786 762519.1780 4.7643 4.7682 PRESSURE: 220000 -93.2728 15.5543 -77.6992 15.5525 48.2958 277.729 -77.6985 277.73 -23.1466 GPRESSURE: 220000 -83.1471 10.7081 -180.702 -4.60427 94.0679 263.923 -45.0808 263.373 9.74696 PRESSAVG: 220000 7.10942 35.5458 -74.8461 35.5459 9.92668 18.7787 -74.846 18.7786 27.3732 GPRESSAVG: 220000 7.90435 34.8028 -75.6268 38.0845 9.42691 17.5766 -72.8901 16.6839 27.1718 TIMING: 220000 CPU: 692.602, 0.00314601/step Wall: 692.602, 0.00314601/step, 4.1772 hours remaining, 235.761719 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: 220000 4057.8863 20570.5109 14499.5353 259.5175 -203142.9858 2567.5544 0.0000 0.0000 51772.3926 -109415.5887 297.5367 -161187.9813 -109057.9570 299.2433 -22.7079 6.8893 762798.1332 14.8031 14.8343 PRESSURE: 220200 10.2065 186.965 -110.942 186.966 71.1932 88.0873 -110.941 88.0881 -62.4377 GPRESSURE: 220200 70.6424 166.032 -131.102 244.746 89.907 98.052 -133.264 37.7185 -44.6744 PRESSAVG: 220200 11.4912 -3.16201 -1.13477 -3.16205 41.4228 72.3867 -1.13474 72.3867 -1.56735 GPRESSAVG: 220200 9.08718 -3.27427 -1.66281 -2.44485 41.2042 73.1027 -2.56601 73.2201 0.515876 TIMING: 220200 CPU: 693.229, 0.00313615/step Wall: 693.229, 0.00313615/step, 4.16394 hours remaining, 235.761719 MB of memory in use. ENERGY: 220200 3942.4312 20457.8044 14481.3234 248.5805 -203272.1674 2606.9694 0.0000 0.0000 52251.3020 -109283.7564 300.2890 -161535.0584 -108912.8798 299.2999 6.3207 38.6250 761133.1136 17.1156 16.9358 LDB: ============= START OF LOAD BALANCING ============== 705.679 LDB: ============== END OF LOAD BALANCING =============== 705.679 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 705.681 LDB: ============= START OF LOAD BALANCING ============== 705.997 LDB: Largest compute 7076 load 0.036058 is 18.5% of average load 0.194813 LDB: Average compute 0.004382 is 2.2% of average load 0.194813 LDB: TIME 706 LOAD: AVG 0.194813 MAX 0.211063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.047 MB LDB: TIME 706.001 LOAD: AVG 0.194813 MAX 0.211063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: TIME 706.001 LOAD: AVG 0.194813 MAX 0.211063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.117 MB LDB: ============== END OF LOAD BALANCING =============== 706.003 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 706.007 PRESSURE: 220400 -247.168 -27.1696 -191.406 -27.1691 170.528 -196.536 -191.406 -196.535 -82.2947 GPRESSURE: 220400 -182.215 0.556625 -76.7912 -115.534 218.047 -145.73 -219.489 -238.704 -111.73 PRESSAVG: 220400 -28.5791 -22.4063 -33.076 -22.4063 8.45733 -41.8455 -33.0759 -41.8453 11.3847 GPRESSAVG: 220400 -27.2028 -21.328 -31.7922 -23.1892 9.48251 -42.958 -33.4677 -42.4971 9.18038 TIMING: 220400 CPU: 693.872, 0.00321488/step Wall: 693.872, 0.00321488/step, 4.26829 hours remaining, 236.378906 MB of memory in use. ENERGY: 220400 4006.8760 20368.3583 14498.7082 259.0605 -203265.7615 2440.7888 0.0000 0.0000 52112.9895 -109578.9800 299.4941 -161691.9696 -109212.5793 299.3561 -52.9782 -25.2992 761935.6027 -2.9124 -2.8466 PRESSURE: 220600 -44.1117 261.769 67.8486 261.77 117.805 200.672 67.8476 200.673 -288.581 GPRESSURE: 220600 14.1976 222.686 76.7285 241.857 89.3103 125.633 139.428 164.242 -248.284 PRESSAVG: 220600 53.972 -61.8856 -24.7878 -61.8856 -20.3111 -20.8163 -24.7878 -20.8163 -3.13146 GPRESSAVG: 220600 55.0222 -63.1092 -24.6565 -61.533 -22.0496 -21.1641 -23.6983 -19.889 -1.68578 TIMING: 220600 CPU: 694.499, 0.00313416/step Wall: 694.499, 0.00313416/step, 4.16094 hours remaining, 236.582031 MB of memory in use. ENERGY: 220600 4004.4479 20472.8985 14463.0095 237.9768 -203685.7895 2812.6414 0.0000 0.0000 52386.1848 -109308.6307 301.0641 -161694.8155 -108949.5470 299.4095 -71.6295 -48.2587 762127.5226 10.1765 10.4290 PRESSURE: 220800 60.031 176.478 -316.711 176.478 215.62 132.305 -316.711 132.304 177.748 GPRESSURE: 220800 70.0731 117.51 -323.334 60.2757 289.939 72.2884 -219.454 -21.7064 183.904 PRESSAVG: 220800 -67.0416 -16.5341 -0.0534974 -16.5341 51.4044 -33.1736 -0.0534461 -33.1736 -15.3845 GPRESSAVG: 220800 -66.254 -16.1037 -0.218319 -19.0147 51.9127 -34.4842 0.296718 -32.2934 -16.8385 TIMING: 220800 CPU: 695.13, 0.00315477/step Wall: 695.13, 0.00315477/step, 4.18813 hours remaining, 236.582031 MB of memory in use. ENERGY: 220800 3932.9469 20475.5608 14437.1770 250.8326 -203283.3711 2923.3527 0.0000 0.0000 52170.2213 -109093.2797 299.8230 -161263.5010 -108730.7585 299.4299 151.1330 181.3052 762320.8006 -10.3405 -10.3932 PRESSURE: 221000 -328.302 -318.453 56.829 -318.453 -257.152 -138.473 56.8292 -138.474 -66.2472 GPRESSURE: 221000 -313.159 -364.362 84.5949 -348.371 -115.927 -105.472 26.7815 -38.171 -127.238 PRESSAVG: 221000 -33.9311 -40.6572 22.4941 -40.6573 15.1798 -44.7658 22.4942 -44.766 19.5395 GPRESSAVG: 221000 -34.3095 -43.199 22.7958 -37.3768 15.1233 -43.3462 23.2049 -45.1445 20.1353 TIMING: 221000 CPU: 695.759, 0.00314777/step Wall: 695.759, 0.00314777/step, 4.17867 hours remaining, 236.582031 MB of memory in use. ENERGY: 221000 3978.9289 20446.2515 14507.2907 252.7140 -203223.1018 2652.4988 0.0000 0.0000 52420.8761 -108964.5417 301.2635 -161385.4178 -108599.7958 300.0974 -217.2339 -185.4412 761451.1072 0.2627 0.3164 PRESSURE: 221200 36.8718 13.182 112.136 13.1817 -241.898 -33.4338 112.137 -33.4346 58.5867 GPRESSURE: 221200 2.39711 -48.3645 65.0469 19.1885 -135.375 -78.3787 2.34513 -0.26739 48.5091 PRESSAVG: 221200 -21.4214 -49.6114 68.3732 -49.6114 11.0173 -51.931 68.3732 -51.931 6.32838 GPRESSAVG: 221200 -22.7384 -47.8233 67.4333 -50.0776 12.0089 -51.0775 68.7662 -51.2762 5.83104 TIMING: 221200 CPU: 696.388, 0.00314458/step Wall: 696.388, 0.00314458/step, 4.17425 hours remaining, 236.582031 MB of memory in use. ENERGY: 221200 4028.5481 20513.4111 14520.3830 255.7673 -203068.0084 2680.7879 0.0000 0.0000 52097.7979 -108971.3131 299.4068 -161069.1111 -108606.1468 299.8792 -48.8131 -28.1561 761075.6863 -1.3586 -1.6328 PRESSURE: 221400 109.021 -228.014 87.418 -228.014 -94.0157 115.215 87.4181 115.215 -265.446 GPRESSURE: 221400 56.2491 -130.029 175.359 -195.317 51.6132 208.161 75.0948 111.121 -280.569 PRESSAVG: 221400 -25.1218 -76.1012 -23.5648 -76.1011 35.3443 3.82431 -23.5649 3.82433 2.40808 GPRESSAVG: 221400 -24.879 -76.2901 -23.0898 -75.8195 34.0936 2.69756 -24.6987 3.5754 3.31183 TIMING: 221400 CPU: 697.015, 0.00313534/step Wall: 697.015, 0.00313534/step, 4.16181 hours remaining, 236.582031 MB of memory in use. ENERGY: 221400 3930.4592 20581.9676 14527.7560 244.0833 -202832.7064 2371.3115 0.0000 0.0000 52030.1000 -109147.0289 299.0177 -161177.1288 -108793.3012 300.1342 -83.4804 -57.5688 761057.9073 4.2102 4.1755 PRESSURE: 221600 96.6908 73.8012 -95.3489 73.8014 48.4229 337.702 -95.348 337.702 173.301 GPRESSURE: 221600 120.16 223.826 -121.208 -26.4168 47.6803 294.855 -117.101 265.137 220.135 PRESSAVG: 221600 4.04008 -65.6197 29.7047 -65.6198 32.1024 15.4415 29.7047 15.4416 11.812 GPRESSAVG: 221600 5.86989 -64.0384 30.3909 -65.7089 30.9369 15.8508 27.4477 13.7874 10.9651 TIMING: 221600 CPU: 697.642, 0.00313352/step Wall: 697.642, 0.00313352/step, 4.15923 hours remaining, 236.582031 MB of memory in use. ENERGY: 221600 3913.3051 20566.7775 14443.5993 261.7398 -202607.2345 2337.6650 0.0000 0.0000 52020.0604 -109064.0875 298.9600 -161084.1479 -108700.2318 299.8659 106.1383 129.3252 762426.6378 15.9848 15.9240 PRESSURE: 221800 143.346 -250.475 62.639 -250.475 -152.244 74.7395 62.6389 74.7401 470.11 GPRESSURE: 221800 222.049 -205.72 127.981 -160.398 -176.657 76.4035 45.418 20.7605 520.431 PRESSAVG: 221800 51.3238 -60.4171 -28.9065 -60.417 -9.19116 24.4348 -28.9065 24.4348 -11.7014 GPRESSAVG: 221800 51.403 -60.1662 -29.6558 -62.2456 -9.8955 24.0266 -25.3847 23.9599 -11.6492 TIMING: 221800 CPU: 698.275, 0.0031637/step Wall: 698.275, 0.0031637/step, 4.1991 hours remaining, 236.582031 MB of memory in use. ENERGY: 221800 3951.0120 20535.0168 14473.5529 252.4870 -203282.9593 2782.7652 0.0000 0.0000 52048.0761 -109240.0493 299.1210 -161288.1254 -108883.1037 299.7700 153.7374 188.6079 759873.7652 10.1437 9.9528 PRESSURE: 222000 11.0353 -1.89097 36.197 -1.89019 242.162 -54.8657 36.1983 -54.8662 -85.7382 GPRESSURE: 222000 46.3329 -61.0707 -19.3441 -23.1542 221.395 -3.47871 -18.9466 22.999 3.27364 PRESSAVG: 222000 46.9184 -79.9822 1.39006 -79.9822 -72.8849 17.4337 1.39006 17.4338 -2.91085 GPRESSAVG: 222000 45.1963 -80.7801 1.78442 -77.3073 -70.7342 17.9171 -0.415528 18.3215 -2.85282 TIMING: 222000 CPU: 698.903, 0.00314247/step Wall: 698.903, 0.00314247/step, 4.17076 hours remaining, 236.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 222000 3970.9666 20495.0527 14512.5246 252.8687 -203372.6599 2715.0574 0.0000 0.0000 52139.6521 -109286.5378 299.6473 -161426.1899 -108927.8066 299.6115 55.8199 90.3338 761494.4724 -9.6258 -9.4636 PRESSURE: 222200 222.249 -37.0294 78.833 -37.029 199.714 -171.142 78.8323 -171.143 255.794 GPRESSURE: 222200 264.769 26.1935 60.4397 -57.1468 179.428 -122.942 48.866 -41.6904 328.204 PRESSAVG: 222200 30.678 -25.9412 10.9475 -25.9413 -63.0806 11.2566 10.9474 11.2566 9.90911 GPRESSAVG: 222200 31.6003 -26.2828 10.9864 -26.519 -63.9563 10.3711 10.2959 12.9474 9.95692 TIMING: 222200 CPU: 699.532, 0.00314681/step Wall: 699.532, 0.00314681/step, 4.17634 hours remaining, 236.582031 MB of memory in use. ENERGY: 222200 3940.4569 20551.2111 14471.8153 231.2932 -203646.2822 2593.7107 0.0000 0.0000 52304.7287 -109553.0663 300.5960 -161857.7950 -109180.5886 299.2876 225.9189 257.4668 759021.5995 -7.4978 -7.4664 PRESSURE: 222400 -219.796 109.192 144.233 109.192 -103.276 418.013 144.233 418.013 -240.214 GPRESSURE: 222400 -101.973 101.788 211.389 37.3195 -146.909 310.461 138.277 350.746 -251.509 PRESSAVG: 222400 -47.3217 -30.7753 -14.7209 -30.7753 16.7548 -10.9756 -14.7209 -10.9757 -16.486 GPRESSAVG: 222400 -47.7087 -29.7129 -15.7725 -32.421 17.6148 -8.98271 -14.2315 -13.5474 -16.9136 TIMING: 222400 CPU: 700.161, 0.00314352/step Wall: 700.161, 0.00314352/step, 4.1718 hours remaining, 236.582031 MB of memory in use. ENERGY: 222400 4079.2952 20620.3576 14506.0680 236.4304 -203345.5868 2275.3270 0.0000 0.0000 51969.2186 -109658.8900 298.6678 -161628.1086 -109300.4220 299.0513 -187.7617 -166.7969 761677.3981 -15.6843 -15.6692 PRESSURE: 222600 -100.226 -61.8372 -154.836 -61.837 185.365 -103.036 -154.835 -103.037 554.469 GPRESSURE: 222600 -4.40659 -13.1379 -179.347 -43.4086 150.766 -170.069 -6.9599 -46.9134 577.379 PRESSAVG: 222600 -50.8797 -10.4644 -45.5798 -10.4644 4.41485 34.6069 -45.5799 34.6068 10.1735 GPRESSAVG: 222600 -50.8039 -10.2549 -44.7672 -10.0828 3.78456 32.5853 -45.1072 36.8004 10.6454 TIMING: 222600 CPU: 700.787, 0.0031298/step Wall: 700.787, 0.0031298/step, 4.15342 hours remaining, 236.582031 MB of memory in use. ENERGY: 222600 3935.6810 20653.8043 14471.8782 247.7024 -203611.3725 2808.3541 0.0000 0.0000 52009.0021 -109484.9505 298.8964 -161493.9525 -109123.8319 298.8882 213.2027 241.2464 761865.7780 -12.0971 -12.1246 PRESSURE: 222800 -169.976 166.043 -312.834 166.043 -232.823 -68.4094 -312.834 -68.4086 52.8907 GPRESSURE: 222800 -224.687 -0.478161 -231.458 37.4966 -173.836 -47.8246 -132.724 -132.658 124.407 PRESSAVG: 222800 -9.8229 -9.25668 -23.3988 -9.25664 -7.61054 -6.73123 -23.3988 -6.73119 17.3928 GPRESSAVG: 222800 -10.0645 -10.9625 -22.6111 -9.79937 -6.9204 -5.24108 -23.0326 -7.41413 17.215 TIMING: 222800 CPU: 701.415, 0.00314099/step Wall: 701.415, 0.00314099/step, 4.1681 hours remaining, 236.582031 MB of memory in use. ENERGY: 222800 4006.9225 20528.4592 14558.8914 239.3097 -202798.5698 2158.9627 0.0000 0.0000 51784.1850 -109521.8393 297.6044 -161306.0243 -109152.2524 299.8858 -116.6361 -91.3718 761673.4433 -0.0136 0.0767 PRESSURE: 223000 -74.8158 -161.852 -57.729 -161.852 -120.772 87.4888 -57.7293 87.4882 101.438 GPRESSURE: 223000 57.0809 -143.625 -52.0154 -129.516 -133.796 37.3009 -154.615 179.708 58.0655 PRESSAVG: 223000 -4.58883 -40.4837 -18.4371 -40.4836 30.4075 9.58633 -18.437 9.58631 -8.20038 GPRESSAVG: 223000 -5.2452 -38.6512 -19.3194 -40.6914 31.0691 9.56909 -19.1215 8.49069 -7.88023 TIMING: 223000 CPU: 702.046, 0.00315377/step Wall: 702.046, 0.00315377/step, 4.18488 hours remaining, 236.582031 MB of memory in use. ENERGY: 223000 4005.4209 20495.1753 14461.1408 251.5991 -203425.2693 2312.8992 0.0000 0.0000 52576.5897 -109322.4442 302.1584 -161899.0339 -108944.1709 299.7123 -31.3834 -6.2165 759825.8446 5.8728 5.9812 PRESSURE: 223200 -336.807 -127.975 -309.299 -127.974 -236.47 73.5815 -309.298 73.5813 -284.615 GPRESSURE: 223200 -308.074 -105.414 -301.906 -120.237 -194.612 123.038 -316.975 58.8453 -275.78 PRESSAVG: 223200 -17.2605 -94.4077 -47.5592 -94.4077 32.7014 12.8149 -47.5592 12.8149 8.36484 GPRESSAVG: 223200 -16.9049 -95.6493 -46.7725 -94.2636 32.6675 10.5242 -47.4873 14.0972 7.96213 TIMING: 223200 CPU: 702.673, 0.00313578/step Wall: 702.673, 0.00313578/step, 4.16083 hours remaining, 236.582031 MB of memory in use. ENERGY: 223200 3949.0839 20618.4581 14447.0423 245.3825 -203244.9522 2423.6537 0.0000 0.0000 52089.6118 -109471.7200 299.3597 -161561.3317 -109103.2498 299.6691 -285.9641 -259.4889 762336.9012 7.9353 7.9082 PRESSURE: 223400 -261.36 -140.68 -452.435 -140.68 -79.8135 -140.207 -452.435 -140.208 -109.232 GPRESSURE: 223400 -191.138 -144.764 -448.774 -214.739 -167.825 -123.85 -347.287 -67.1336 -11.0627 PRESSAVG: 223400 26.9515 -69.1514 -35.4718 -69.1514 1.34151 43.0887 -35.4718 43.0886 2.66616 GPRESSAVG: 223400 26.0822 -67.3704 -37.5273 -68.8393 2.11047 45.859 -35.4525 42.6973 2.76227 TIMING: 223400 CPU: 703.305, 0.0031594/step Wall: 703.305, 0.0031594/step, 4.192 hours remaining, 236.582031 MB of memory in use. ENERGY: 223400 4050.4961 20571.5776 14413.6150 244.6973 -203506.5992 2443.3844 0.0000 0.0000 52321.1162 -109461.7126 300.6902 -161782.8288 -109098.1195 299.6731 -150.1353 -123.3421 760420.4884 10.3197 10.3183 PRESSURE: 223600 99.5125 -6.10924 -61.1376 -6.11036 96.2023 -12.2168 -61.1382 -12.2168 -384.125 GPRESSURE: 223600 81.1184 -41.981 32.0299 50.623 188.624 -66.884 -212.273 49.227 -378.969 PRESSAVG: 223600 69.8008 -64.6725 -50.4737 -64.6726 -43.6538 56.1673 -50.4737 56.1673 3.30301 GPRESSAVG: 223600 70.6795 -65.2152 -49.8943 -65.3381 -44.689 54.8321 -50.8292 55.0436 3.37895 TIMING: 223600 CPU: 703.94, 0.00317584/step Wall: 703.94, 0.00317584/step, 4.21363 hours remaining, 236.582031 MB of memory in use. ENERGY: 223600 3952.8291 20676.9051 14433.9182 251.2324 -202858.2800 2038.3017 0.0000 0.0000 52044.8397 -109460.2538 299.1024 -161505.0935 -109096.1912 299.8344 -62.8033 -36.4089 760790.6847 9.8167 9.7898 PRESSURE: 223800 -444.969 -80.2578 -262.211 -80.2581 86.572 58.5291 -262.211 58.5288 188.325 GPRESSURE: 223800 -328.884 -8.03672 -218.845 -49.9542 126.99 130.667 -340.055 -18.6847 136.199 PRESSAVG: 223800 -59.5256 -35.9934 -65.6715 -35.9934 27.1658 5.54455 -65.6716 5.54454 -8.98592 GPRESSAVG: 223800 -60.1447 -36.8207 -66.1671 -35.593 26.3075 6.73536 -65.3866 5.4734 -7.77391 TIMING: 223800 CPU: 704.569, 0.00314616/step Wall: 704.569, 0.00314616/step, 4.17408 hours remaining, 236.582031 MB of memory in use. ENERGY: 223800 3951.6763 20400.4831 14479.4847 270.9039 -203116.2287 2545.7387 0.0000 0.0000 51988.7858 -109479.1560 298.7803 -161467.9419 -109111.5254 299.2250 -56.6907 -21.8984 760496.0568 -13.7819 -13.8703 PRESSURE: 224000 210.825 30.8988 100.759 30.899 -311.197 -183.402 100.759 -183.402 -146.824 GPRESSURE: 224000 182.125 -10.8602 148.011 95.5302 -247.322 -158.118 46.7793 -166.733 -64.1751 PRESSAVG: 224000 28.3184 -40.8768 -46.5688 -40.8767 -0.0894217 -11.8269 -46.5688 -11.8269 -4.70323 GPRESSAVG: 224000 29.2479 -41.5737 -45.5659 -38.4693 0.962659 -12.2255 -47.0901 -11.6979 -6.69173 TIMING: 224000 CPU: 705.199, 0.00314826/step Wall: 705.199, 0.00314826/step, 4.17669 hours remaining, 236.582031 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: 224000 4045.9879 20408.1784 14419.7344 250.5514 -203233.5992 2551.2986 0.0000 0.0000 52178.3322 -109379.5163 299.8696 -161557.8485 -109005.7166 299.1387 -82.3986 -43.1238 759607.7975 7.8419 7.8396 PRESSURE: 224200 85.1709 -118.421 182.431 -118.422 243.482 26.8418 182.431 26.8425 -144.985 GPRESSURE: 224200 31.1001 -141.368 155.043 -46.8524 331.622 -60.1084 201.276 47.3465 -86.7916 PRESSAVG: 224200 13.0286 6.04461 36.388 6.04461 -20.8398 -57.0449 36.3879 -57.0449 20.9445 GPRESSAVG: 224200 11.9671 7.51826 38.6583 5.16197 -21.3135 -57.9384 34.6921 -55.6015 22.272 TIMING: 224200 CPU: 705.829, 0.0031499/step Wall: 705.829, 0.0031499/step, 4.1787 hours remaining, 236.582031 MB of memory in use. ENERGY: 224200 3974.0847 20687.0546 14406.2808 260.2914 -203464.8989 2754.4694 0.0000 0.0000 52129.5297 -109253.1884 299.5891 -161382.7181 -108894.3152 300.1091 61.2227 91.9768 760895.2299 4.3778 4.3085 LDB: ============= START OF LOAD BALANCING ============== 718.28 LDB: ============== END OF LOAD BALANCING =============== 718.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 718.281 LDB: ============= START OF LOAD BALANCING ============== 718.599 LDB: Largest compute 7076 load 0.035410 is 18.2% of average load 0.194915 LDB: Average compute 0.004384 is 2.2% of average load 0.194915 LDB: TIME 718.602 LOAD: AVG 0.194915 MAX 0.21375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.871 MB LDB: TIME 718.602 LOAD: AVG 0.194915 MAX 0.21375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.965 MB LDB: TIME 718.603 LOAD: AVG 0.194915 MAX 0.21375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.965 MB LDB: ============== END OF LOAD BALANCING =============== 718.604 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 718.609 PRESSURE: 224400 70.6538 -103.19 -276.193 -103.19 248.189 -58.0164 -276.193 -58.0168 28.3945 GPRESSURE: 224400 188 -94.9115 -275.305 -70.883 186.667 -54.7382 -223.78 44.3035 52.7881 PRESSAVG: 224400 -61.8645 -50.229 16.2933 -50.229 26.8162 -45.8966 16.2932 -45.8967 4.97017 GPRESSAVG: 224400 -60.3416 -52.253 14.7289 -48.441 24.5749 -45.7501 20.6887 -46.2801 5.33766 TIMING: 224400 CPU: 706.473, 0.00322126/step Wall: 706.473, 0.00322126/step, 4.27318 hours remaining, 235.414062 MB of memory in use. ENERGY: 224400 3931.5401 20616.9622 14488.1145 240.1913 -203509.1702 2562.1404 0.0000 0.0000 52334.1694 -109336.0524 300.7652 -161670.2217 -108963.3321 300.1792 115.7459 142.4849 761813.4863 -10.0261 -10.1430 PRESSURE: 224600 -191.019 -116.587 -106.859 -116.586 -246.047 -255.596 -106.858 -255.596 -98.3508 GPRESSURE: 224600 -242.197 -54.318 -197.447 -68.0629 -171.144 -302.401 -18.7482 -335.107 -19.5372 PRESSAVG: 224600 -19.0974 -39.3361 28.0594 -39.3361 28.2904 -57.0271 28.0595 -57.0271 -24.2142 GPRESSAVG: 224600 -19.4485 -38.3599 27.7461 -41.3937 30.0583 -56.5113 26.5134 -57.3242 -24.9072 TIMING: 224600 CPU: 707.107, 0.00316801/step Wall: 707.107, 0.00316801/step, 4.20237 hours remaining, 235.414062 MB of memory in use. ENERGY: 224600 3971.9535 20735.9606 14435.6793 235.8388 -203056.2613 2149.8834 0.0000 0.0000 51905.8855 -109621.0602 298.3038 -161526.9457 -109262.9056 299.3704 -178.4723 -144.2929 762025.3137 -5.0071 -4.7658 PRESSURE: 224800 -83.7909 -100.176 -192.824 -100.176 27.742 -150.418 -192.824 -150.418 -345.323 GPRESSURE: 224800 -139.046 -26.5204 -299.025 -101.431 77.0052 -189.964 -342.575 -172.933 -239.5 PRESSAVG: 224800 -20.9381 -15.8812 50.4084 -15.8812 12.7843 -45.0138 50.4085 -45.0138 27.7824 GPRESSAVG: 224800 -20.4394 -17.5326 51.4262 -14.5749 11.2374 -44.6318 48.7929 -44.8753 28.7637 TIMING: 224800 CPU: 707.737, 0.00314987/step Wall: 707.737, 0.00314987/step, 4.17813 hours remaining, 235.414062 MB of memory in use. ENERGY: 224800 3967.9055 20519.5110 14384.6514 243.3032 -203142.7327 2436.0190 0.0000 0.0000 51960.8779 -109630.4646 298.6199 -161591.3425 -109266.0622 298.7029 -133.7908 -100.5135 760558.8608 6.5429 6.5206 PRESSURE: 225000 -70.7933 108.533 12.4953 108.533 -65.2985 -11.5701 12.4952 -11.5692 341.056 GPRESSURE: 225000 -91.5259 90.7475 -15.3162 232.611 26.1632 -0.538362 14.0813 -36.9273 350.104 PRESSAVG: 225000 -37.6281 -50.4252 -28.323 -50.4252 -22.8331 -70.8479 -28.3229 -70.8478 1.278 GPRESSAVG: 225000 -38.6381 -47.9065 -28.9833 -51.6451 -21.5575 -70.9202 -25.7167 -71.6862 0.760486 TIMING: 225000 CPU: 708.368, 0.00315599/step Wall: 708.368, 0.00315599/step, 4.18607 hours remaining, 235.414062 MB of memory in use. ENERGY: 225000 4002.8900 20404.3033 14474.3234 235.9461 -203179.2561 2627.8589 0.0000 0.0000 51759.4150 -109674.5196 297.4621 -161433.9346 -109316.3281 298.8081 68.3213 94.9138 761469.8486 -19.7277 -19.8117 PRESSURE: 225200 272.837 -12.0687 -3.41388 -12.0693 118.588 -287.266 -3.41365 -287.265 -57.1403 GPRESSURE: 225200 337.752 -76.5394 -72.437 63.7568 126.395 -300.972 -58.7151 -256.882 -48.7378 PRESSAVG: 225200 18.7281 -6.1267 -48.0623 -6.12669 -61.7196 -1.04365 -48.0623 -1.04366 3.24843 GPRESSAVG: 225200 19.1045 -7.26065 -47.1622 -4.61869 -62.2036 -2.15754 -49.9591 0.777767 3.39113 TIMING: 225200 CPU: 708.997, 0.00314368/step Wall: 708.997, 0.00314368/step, 4.16956 hours remaining, 235.414062 MB of memory in use. ENERGY: 225200 4008.0518 20386.2345 14469.5725 233.9606 -203276.9307 2588.0424 0.0000 0.0000 52077.7723 -109513.2967 299.2917 -161591.0690 -109158.0531 298.6066 111.4283 138.4695 760335.9294 -13.2477 -13.2360 PRESSURE: 225400 288.773 102.496 185.28 102.496 8.65284 72.5881 185.279 72.589 -104.853 GPRESSURE: 225400 313.097 -15.8927 155.69 32.6716 90.4568 4.23232 93.3494 48.8604 -93.029 PRESSAVG: 225400 -16.4886 -19.2199 6.85144 -19.2199 45.436 0.326228 6.85148 0.326235 -14.5672 GPRESSAVG: 225400 -17.0808 -19.0682 5.72797 -19.4706 46.3519 1.55599 6.44001 -1.19585 -14.9875 TIMING: 225400 CPU: 709.629, 0.00315943/step Wall: 709.629, 0.00315943/step, 4.19028 hours remaining, 235.414062 MB of memory in use. ENERGY: 225400 3988.1323 20247.0222 14428.8311 252.1287 -203393.9893 2829.7265 0.0000 0.0000 52106.5836 -109541.5650 299.4573 -161648.1486 -109178.0243 299.2156 64.1908 103.5083 759796.0520 4.7934 4.7612 PRESSURE: 225600 -197.163 -53.6503 -55.6373 -53.6508 54.1009 -80.5418 -55.6375 -80.542 -160.748 GPRESSURE: 225600 -234.908 -7.60989 -47.3726 40.771 159.859 23.8164 125.026 -7.65022 -156.776 PRESSAVG: 225600 19.1769 15.5884 10.7177 15.5884 -2.81866 -5.13814 10.7177 -5.13809 -15.6357 GPRESSAVG: 225600 19.8323 13.0816 10.2048 14.8446 -3.02996 -5.18071 11.5625 -5.51224 -16.2088 TIMING: 225600 CPU: 710.258, 0.00314869/step Wall: 710.258, 0.00314869/step, 4.17587 hours remaining, 235.414062 MB of memory in use. ENERGY: 225600 4069.6026 20375.3877 14421.8261 251.3817 -203298.5879 2652.3617 0.0000 0.0000 51836.5408 -109691.4873 297.9053 -161528.0282 -109333.9266 299.0055 -101.2699 -77.2751 760806.6362 0.2409 0.1978 PRESSURE: 225800 -133.107 -85.6124 44.0897 -85.6117 112.343 -139.039 44.0895 -139.037 -509.222 GPRESSURE: 225800 -110.599 -42.8015 15.8067 -12.8523 154.926 -197.321 5.24269 -125.693 -487.629 PRESSAVG: 225800 10.852 -10.3689 -32.1428 -10.3689 60.511 -65.4573 -32.1428 -65.4573 -6.91396 GPRESSAVG: 225800 10.7976 -8.37415 -29.8646 -11.8793 61.4398 -65.2651 -31.1165 -65.1873 -7.23971 TIMING: 225800 CPU: 710.89, 0.00315864/step Wall: 710.89, 0.00315864/step, 4.18889 hours remaining, 235.414062 MB of memory in use. ENERGY: 225800 4034.3121 20459.9260 14464.2300 244.2209 -203312.9351 2359.0442 0.0000 0.0000 52041.8036 -109709.3983 299.0850 -161751.2018 -109348.6771 298.7602 -176.6620 -147.7673 759024.2662 21.4830 21.6659 PRESSURE: 226000 45.3471 -9.64095 107.238 -9.64093 285.072 -113.987 107.238 -113.988 158.838 GPRESSURE: 226000 129.391 76.6716 118.221 -104.315 257.085 -54.3453 189.178 -55.8354 185.254 PRESSAVG: 226000 -51.0897 -45.9909 19.734 -45.991 33.1752 -37.1082 19.734 -37.1081 4.06522 GPRESSAVG: 226000 -49.7504 -47.0856 17.2776 -44.9564 31.3939 -36.9205 20.2562 -40.0705 4.41802 TIMING: 226000 CPU: 711.519, 0.00314529/step Wall: 711.519, 0.00314529/step, 4.17101 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: 226000 3989.1019 20579.6791 14433.7842 241.0997 -203216.8821 2513.7292 0.0000 0.0000 51909.2346 -109550.2533 298.3231 -161459.4879 -109201.2033 298.7540 163.0857 190.5770 759471.0598 -4.6164 -4.6462 PRESSURE: 226200 274.887 35.3231 39.4985 35.3229 -39.9696 77.1002 39.499 77.0993 -96.323 GPRESSURE: 226200 478.932 -57.7554 121.288 40.8061 -169.08 73.5028 -32.9998 139.211 -87.166 PRESSAVG: 226200 38.2299 -77.7249 -58.7142 -77.725 -14.7093 -27.7103 -58.7143 -27.7103 -2.50919 GPRESSAVG: 226200 37.478 -76.9767 -56.7946 -76.6359 -13.436 -29.3152 -58.7687 -24.056 -2.79219 TIMING: 226200 CPU: 712.148, 0.00314347/step Wall: 712.148, 0.00314347/step, 4.16841 hours remaining, 235.414062 MB of memory in use. ENERGY: 226200 3967.3261 20453.1358 14428.1997 245.4151 -203397.9809 2736.4060 0.0000 0.0000 52101.9197 -109465.5784 299.4304 -161567.4981 -109112.5436 299.0518 46.1980 74.2286 760088.5963 7.0038 7.0833 PRESSURE: 226400 99.8353 67.4551 49.8714 67.4544 405.125 -14.9045 49.8716 -14.903 287.592 GPRESSURE: 226400 131.596 107.623 97.9846 -16.7943 448.096 15.3968 101.423 -189.271 304.362 PRESSAVG: 226400 -34.5011 -23.2647 53.7932 -23.2647 -24.8657 -15.8395 53.7933 -15.8394 24.4082 GPRESSAVG: 226400 -34.5858 -23.7984 53.2626 -23.4782 -25.8556 -13.6563 52.583 -16.3503 25.9254 TIMING: 226400 CPU: 712.772, 0.00312138/step Wall: 712.772, 0.00312138/step, 4.13894 hours remaining, 235.414062 MB of memory in use. ENERGY: 226400 3911.5474 20554.2805 14399.7874 228.3601 -203409.4702 2767.1378 0.0000 0.0000 51968.6509 -109579.7062 298.6646 -161548.3571 -109205.3336 298.9584 264.1842 294.6849 761125.2210 -11.6529 -11.5053 PRESSURE: 226600 -362.583 -17.1871 -121.956 -17.1873 -172.172 12.8682 -121.956 12.8678 315.934 GPRESSURE: 226600 -423.678 -8.9395 -159.572 5.95662 -19.0911 -2.79183 -61.9836 -106.035 300.036 PRESSAVG: 226600 -47.2955 -19.9012 48.2512 -19.9011 44.6979 32.4625 48.2511 32.4625 4.65766 GPRESSAVG: 226600 -48.082 -18.9713 47.6137 -21.4822 45.7896 32.1006 49.6648 30.3861 4.50955 TIMING: 226600 CPU: 713.398, 0.00312847/step Wall: 713.398, 0.00312847/step, 4.14817 hours remaining, 235.414062 MB of memory in use. ENERGY: 226600 3986.8487 20483.8385 14393.3554 229.5705 -203064.1687 2294.2016 0.0000 0.0000 52066.8573 -109609.4967 299.2289 -161676.3540 -109252.5238 298.7970 -72.9406 -47.5777 760796.1942 0.6867 0.7390 PRESSURE: 226800 -93.5984 31.757 63.7028 31.7573 -78.8395 -7.70761 63.7031 -7.70714 223.08 GPRESSURE: 226800 -1.20231 4.97622 35.3174 -25.0533 -95.4277 -86.9909 27.543 59.8117 244.867 PRESSAVG: 226800 27.9128 -9.70596 17.5491 -9.70595 -42.3671 20.6501 17.5491 20.6501 10.1244 GPRESSAVG: 226800 28.0558 -9.93058 17.941 -9.56204 -42.8174 19.8825 16.2587 23.3366 10.1199 TIMING: 226800 CPU: 714.025, 0.00313506/step Wall: 714.025, 0.00313506/step, 4.15674 hours remaining, 235.414062 MB of memory in use. ENERGY: 226800 3963.1854 20513.3589 14441.7256 252.1616 -203387.7825 2477.2794 0.0000 0.0000 51863.8289 -109876.2427 298.0621 -161740.0716 -109522.3883 298.9599 16.8807 49.4122 759514.1571 -1.4433 -1.5472 PRESSURE: 227000 34.9498 -26.3688 191.028 -26.3682 240.278 -69.4394 191.029 -69.4397 -227.106 GPRESSURE: 227000 76.8906 -38.8003 244.619 -108.788 306.6 -43.9108 100.29 5.48999 -239.153 PRESSAVG: 227000 -47.5515 -87.1323 -20.5191 -87.1322 36.2242 26.5807 -20.5191 26.5807 -13.5242 GPRESSAVG: 227000 -47.2252 -88.6917 -21.5449 -84.7169 36.3026 27.1566 -20.7042 27.0994 -14.2352 TIMING: 227000 CPU: 714.652, 0.003135/step Wall: 714.652, 0.003135/step, 4.15649 hours remaining, 235.414062 MB of memory in use. ENERGY: 227000 3951.1878 20472.2902 14492.1792 256.2370 -203788.7604 2855.8391 0.0000 0.0000 51846.3096 -109914.7175 297.9615 -161761.0271 -109558.6076 298.0829 16.0407 48.1127 760760.2526 -8.2838 -8.3859 PRESSURE: 227200 -1.59508 -85.3802 -104.841 -85.3798 -15.2235 16.4719 -104.84 16.4719 193.727 GPRESSURE: 227200 21.4342 -230.07 -76.4997 13.8194 -9.7414 153.628 1.86814 -28.992 241.505 PRESSAVG: 227200 23.513 -48.6002 -7.91672 -48.6002 3.09884 -17.9318 -7.91679 -17.9318 -5.50264 GPRESSAVG: 227200 23.6593 -47.5234 -7.31317 -49.8519 1.59754 -18.197 -8.56184 -17.8874 -4.0265 TIMING: 227200 CPU: 715.277, 0.00312582/step Wall: 715.277, 0.00312582/step, 4.14414 hours remaining, 235.414062 MB of memory in use. ENERGY: 227200 3890.2481 20343.3103 14433.0182 249.0431 -203591.1876 2766.8289 0.0000 0.0000 51837.1874 -110071.5516 297.9090 -161908.7390 -109707.8359 298.2353 58.9695 84.3991 761617.2525 7.0364 7.0768 PRESSURE: 227400 127.152 -22.3443 -229.061 -22.344 187.036 -36.7696 -229.061 -36.7693 -524.417 GPRESSURE: 227400 118.617 -44.5777 -186.909 -9.80854 197.279 -16.7264 -111.885 -26.1459 -440.853 PRESSAVG: 227400 18.8902 -7.25577 -11.4937 -7.2558 33.5836 -13.6802 -11.4937 -13.6802 -6.03906 GPRESSAVG: 227400 17.3534 -8.6571 -11.9639 -6.71337 35.6829 -12.3783 -11.0409 -15.3224 -7.00293 TIMING: 227400 CPU: 715.906, 0.00314317/step Wall: 715.906, 0.00314317/step, 4.16697 hours remaining, 235.414062 MB of memory in use. ENERGY: 227400 3969.4600 20239.4022 14449.3609 238.9856 -202981.5376 2327.7394 0.0000 0.0000 51842.5445 -109914.0451 297.9398 -161756.5896 -109544.2012 297.8273 -70.0767 -41.6522 760160.4926 15.4782 15.3444 PRESSURE: 227600 141.742 -35.2591 -147.088 -35.2583 246.775 7.58538 -147.088 7.58595 360.823 GPRESSURE: 227600 168.37 103.616 -197.089 20.0242 266.282 -13.3424 -52.2983 42.1101 382.005 PRESSAVG: 227600 -18.0906 -81.1431 -75.2528 -81.1431 36.9733 53.4131 -75.2528 53.413 12.7855 GPRESSAVG: 227600 -18.8643 -80.0108 -74.2691 -81.3079 36.7613 50.198 -75.9499 54.2024 13.675 TIMING: 227600 CPU: 716.535, 0.00314768/step Wall: 716.535, 0.00314768/step, 4.17277 hours remaining, 235.414062 MB of memory in use. ENERGY: 227600 3996.1378 20539.0178 14423.1405 248.8518 -203648.2758 2784.2427 0.0000 0.0000 52017.2399 -109639.6452 298.9438 -161656.8851 -109281.4665 298.0346 249.7803 272.2188 760089.5448 10.5560 10.5240 PRESSURE: 227800 -146.707 -114.917 73.9297 -114.917 -91.6506 193.239 73.9304 193.239 28.9573 GPRESSURE: 227800 -55.1907 -124.644 55.867 -82.5433 -36.229 265.894 -32.2482 156.241 -5.58886 PRESSAVG: 227800 0.256085 -42.9015 -4.5092 -42.9015 26.0319 9.75371 -4.50913 9.75376 -31.568 GPRESSAVG: 227800 2.00354 -43.0524 -4.31231 -45.037 24.77 13.4721 -2.99761 7.90475 -32.6796 TIMING: 227800 CPU: 717.159, 0.0031178/step Wall: 717.159, 0.0031178/step, 4.13299 hours remaining, 235.414062 MB of memory in use. ENERGY: 227800 3958.4442 20344.5052 14488.7123 248.8154 -203315.7422 2528.2237 0.0000 0.0000 51701.2113 -110045.8300 297.1276 -161747.0413 -109675.5984 298.3163 -69.8001 -32.3362 761398.2896 -1.7600 -1.9687 PRESSURE: 228000 -65.0109 -26.2308 -128.16 -26.2309 33.9849 100.27 -128.16 100.269 108.789 GPRESSURE: 228000 0.215263 5.36986 11.9911 -40.2462 58.8157 58.7697 -101.91 114.094 102.338 PRESSAVG: 228000 9.58811 -72.7204 0.971572 -72.7204 -5.30891 6.40733 0.97156 6.40734 -3.03331 GPRESSAVG: 228000 8.88511 -71.0003 0.467128 -72.0236 -4.96671 4.29703 0.18687 7.6142 -2.04984 TIMING: 228000 CPU: 717.783, 0.0031226/step Wall: 717.783, 0.0031226/step, 4.13919 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: 228000 3970.1737 20448.3348 14428.2652 251.1688 -203149.6222 2250.4515 0.0000 0.0000 51807.2924 -109993.9359 297.7372 -161801.2283 -109645.2854 297.7606 25.9211 53.7898 761132.6445 0.4153 0.6229 PRESSURE: 228200 -250.48 80.5168 15.663 80.517 505.094 170.172 15.6625 170.171 -404.312 GPRESSURE: 228200 -211.608 152.74 32.0942 -61.6423 475.065 108.862 -19.2987 258.495 -318.805 PRESSAVG: 228200 -51.4076 -34.9145 7.68471 -34.9145 107.573 15.1991 7.68475 15.199 -9.26568 GPRESSAVG: 228200 -50.6811 -35.5874 8.04079 -34.878 107.448 15.236 8.74109 16.8123 -9.58055 TIMING: 228200 CPU: 718.411, 0.00313761/step Wall: 718.411, 0.00313761/step, 4.1589 hours remaining, 235.414062 MB of memory in use. ENERGY: 228200 4049.8894 20353.6086 14469.3550 249.6914 -203691.1913 2823.5580 0.0000 0.0000 51612.2175 -110132.8714 296.6161 -161745.0889 -109777.5601 298.0029 -49.8993 -18.4495 759088.3336 15.6331 15.7287 LDB: ============= START OF LOAD BALANCING ============== 730.861 LDB: ============== END OF LOAD BALANCING =============== 730.861 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 730.863 LDB: ============= START OF LOAD BALANCING ============== 731.177 LDB: Largest compute 7056 load 0.035516 is 18.2% of average load 0.194778 LDB: Average compute 0.004397 is 2.3% of average load 0.194778 LDB: TIME 731.18 LOAD: AVG 0.194778 MAX 0.211851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.133 MB LDB: TIME 731.18 LOAD: AVG 0.194778 MAX 0.211851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: TIME 731.18 LOAD: AVG 0.194778 MAX 0.211851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.133 MB LDB: ============== END OF LOAD BALANCING =============== 731.182 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 731.187 PRESSURE: 228400 -168.448 -236.127 -338.03 -236.127 58.2328 74.9599 -338.029 74.9591 69.2155 GPRESSURE: 228400 -153.207 -99.6183 -232.442 -220.425 154.776 -4.09957 -411.938 118.743 51.5036 PRESSAVG: 228400 -32.597 -74.0458 -54.2966 -74.0458 57.5237 52.4853 -54.2967 52.4853 17.5605 GPRESSAVG: 228400 -32.6081 -75.5408 -52.8562 -74.5029 57.3643 52.446 -54.0436 49.9935 17.3601 TIMING: 228400 CPU: 719.051, 0.00320247/step Wall: 719.051, 0.00320247/step, 4.2447 hours remaining, 236.648438 MB of memory in use. ENERGY: 228400 4012.2893 20340.3773 14492.9219 237.5070 -203754.4984 2438.2441 0.0000 0.0000 52150.2538 -110082.9050 299.7082 -162233.1589 -109712.6661 297.2337 -13.6664 17.6909 759532.3791 14.1624 14.0388 PRESSURE: 228600 -234.116 118.589 -229.014 118.589 301.003 7.01948 -229.015 7.02009 301.056 GPRESSURE: 228600 -205.803 87.297 -242.285 224.826 403.499 -57.05 -167.804 67.1265 236.088 PRESSAVG: 228600 -45.1279 -61.0661 -25.8538 -61.0661 15.5788 -15.6985 -25.8538 -15.6985 11.6394 GPRESSAVG: 228600 -46.2403 -60.4059 -25.2785 -62.7942 16.3508 -14.9072 -27.6051 -16.3001 11.4123 TIMING: 228600 CPU: 719.678, 0.00313466/step Wall: 719.678, 0.00313466/step, 4.15465 hours remaining, 236.718750 MB of memory in use. ENERGY: 228600 3950.4385 20356.7369 14473.2592 260.4586 -203780.1192 2737.4062 0.0000 0.0000 51834.7719 -110167.0479 297.8951 -162001.8198 -109797.1431 297.9905 122.6477 144.5947 759206.5947 -5.9699 -6.1590 PRESSURE: 228800 -378.657 13.675 -138.984 13.6745 -335.936 -40.6728 -138.985 -40.6736 -159.141 GPRESSURE: 228800 -425.631 34.2833 -74.8201 135.045 -197.947 -82.0688 37.7598 -10.4173 -171.827 PRESSAVG: 228800 -20.3465 -13.5168 1.98894 -13.5169 65.2654 -0.784527 1.98896 -0.784568 5.83098 GPRESSAVG: 228800 -20.2665 -13.4163 -0.291752 -9.46789 64.8121 -1.18671 5.68983 1.17433 6.19799 TIMING: 228800 CPU: 720.305, 0.00313509/step Wall: 720.305, 0.00313509/step, 4.15504 hours remaining, 236.718750 MB of memory in use. ENERGY: 228800 3981.1182 20354.1003 14581.7408 262.2158 -203981.9300 2872.8543 0.0000 0.0000 51789.8817 -110140.0188 297.6372 -161929.9006 -109775.2826 297.7792 -291.2446 -265.1346 761042.9231 16.9166 16.9145 PRESSURE: 229000 -199.24 93.8188 -195.716 93.8203 101.834 412.464 -195.717 412.465 -66.4685 GPRESSURE: 229000 -99.1415 108.619 -287.509 85.254 105.574 328.099 -230.371 372.215 -86.7489 PRESSAVG: 229000 -61.8428 -19.1272 -43.5023 -19.1272 30.6139 -42.5703 -43.5023 -42.5703 -14.4607 GPRESSAVG: 229000 -61.0865 -19.1773 -44.5326 -20.0729 30.1275 -42.8164 -45.9105 -42.6348 -15.5409 TIMING: 229000 CPU: 720.936, 0.00315327/step Wall: 720.936, 0.00315327/step, 4.17896 hours remaining, 236.718750 MB of memory in use. ENERGY: 229000 3887.0674 20405.1243 14480.8518 270.8522 -203502.0797 2514.5151 0.0000 0.0000 51690.9008 -110252.7681 297.0683 -161943.6689 -109889.5544 297.7656 -54.6247 -26.7722 761056.3631 -15.2299 -15.5000 PRESSURE: 229200 -128.79 22.7815 -25.496 22.7815 25.6667 -157.243 -25.4955 -157.243 -48.1363 GPRESSURE: 229200 -81.6857 53.9582 -14.1332 -49.9877 65.8231 -155.574 68.6221 -183.925 -36.3095 PRESSAVG: 229200 -4.57694 -56.9034 -34.0306 -56.9034 32.9147 -20.0536 -34.0306 -20.0535 -10.6733 GPRESSAVG: 229200 -5.20002 -58.5178 -31.9857 -55.8921 34.1415 -20.2497 -33.3397 -21.0715 -11.4796 TIMING: 229200 CPU: 721.565, 0.00314634/step Wall: 721.565, 0.00314634/step, 4.1696 hours remaining, 236.718750 MB of memory in use. ENERGY: 229200 3824.6790 20440.5376 14486.6641 266.2068 -203078.3984 2250.1931 0.0000 0.0000 51888.8792 -109921.2388 298.2061 -161810.1180 -109549.1366 297.9693 -50.4200 -17.3907 761518.7655 5.8881 5.8206 PRESSURE: 229400 382.898 121.581 -69.6744 121.582 -16.025 -88.7112 -69.6744 -88.7101 275.569 GPRESSURE: 229400 341.847 90.5107 -134.713 110.419 95.1396 -42.0601 -147.867 -39.6321 269.617 PRESSAVG: 229400 -42.2882 -19.9177 -35.269 -19.9177 34.4873 -33.5254 -35.269 -33.5253 -4.85811 GPRESSAVG: 229400 -43.4332 -18.033 -35.126 -20.5943 33.6238 -33.9727 -35.373 -33.901 -2.51856 TIMING: 229400 CPU: 722.191, 0.00313095/step Wall: 722.191, 0.00313095/step, 4.14903 hours remaining, 236.718750 MB of memory in use. ENERGY: 229400 3862.6035 20371.6836 14491.2257 240.9234 -203219.2896 2530.9471 0.0000 0.0000 51921.1885 -109800.7177 298.3918 -161721.9062 -109435.0254 298.1417 214.1473 235.5343 762306.8374 -4.2197 -4.1093 PRESSURE: 229600 -114.025 -78.8567 102.492 -78.8566 -53.7498 151.787 102.492 151.787 227.693 GPRESSURE: 229600 -68.2915 -93.0468 99.5553 -121.987 66.1838 178.368 157.84 118.812 165.623 PRESSAVG: 229600 -11.6979 -37.5645 7.91205 -37.5645 3.63026 20.2076 7.912 20.2076 20.7487 GPRESSAVG: 229600 -11.9793 -39.4338 6.43961 -38.1925 4.66179 20.9522 6.77548 20.7068 19.7989 TIMING: 229600 CPU: 722.82, 0.00314034/step Wall: 722.819, 0.00314034/step, 4.1613 hours remaining, 236.718750 MB of memory in use. ENERGY: 229600 3934.2598 20465.3632 14448.2144 247.6340 -203200.1569 2472.4166 0.0000 0.0000 51902.1172 -109730.1516 298.2822 -161632.2689 -109375.9150 298.3852 19.9728 54.5050 761096.8899 4.2270 4.1605 PRESSURE: 229800 190.772 -219.091 12.1374 -219.091 154.749 -54.3612 12.137 -54.361 293.405 GPRESSURE: 229800 264.791 -203.586 -32.1635 -76.2956 182.851 -82.0572 62.5692 66.6653 277.542 PRESSAVG: 229800 -25.0475 -55.2379 41.4315 -55.2379 -0.717052 17.2888 41.4316 17.2888 -7.9152 GPRESSAVG: 229800 -23.6189 -54.8396 42.1362 -55.5031 -1.74535 16.3774 41.7058 18.5814 -8.5589 TIMING: 229800 CPU: 723.446, 0.00313461/step Wall: 723.446, 0.00313461/step, 4.15353 hours remaining, 236.718750 MB of memory in use. ENERGY: 229800 4096.6594 20372.0144 14459.7171 238.6040 -203106.8107 2663.1947 0.0000 0.0000 51893.1180 -109383.5030 298.2305 -161276.6210 -109024.9452 298.4839 212.9751 241.7278 760885.5362 -11.2266 -11.3077 PRESSURE: 230000 217.631 72.6564 268.714 72.6569 233.945 -52.8499 268.713 -52.8503 362.798 GPRESSURE: 230000 270.241 -28.2605 259.703 101.128 248.024 -66.8818 215.513 -46.7932 379.045 PRESSAVG: 230000 69.4236 -10.9209 3.41599 -10.9209 -9.70077 -24.5365 3.41603 -24.5365 -15.2792 GPRESSAVG: 230000 69.1267 -10.4295 2.71365 -10.0652 -9.29237 -25.5261 5.43417 -26.8101 -14.5098 TIMING: 230000 CPU: 724.072, 0.00312962/step Wall: 724.072, 0.00312962/step, 4.14674 hours remaining, 236.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 230000 3964.2459 20403.5577 14501.9985 244.1529 -203244.1002 2721.9291 0.0000 0.0000 51819.4956 -109588.7206 297.8074 -161408.2162 -109232.0668 298.9771 271.4581 299.1035 761217.0504 14.8146 15.1082 PRESSURE: 230200 -441.974 -107.847 -112.732 -107.847 -9.15851 -294.556 -112.731 -294.557 1.81722 GPRESSURE: 230200 -418.02 -126.033 -100.028 -68.1764 56.3751 -312.33 -119.959 -282.314 -16.8683 PRESSAVG: 230200 -36.7664 -82.2703 45.7664 -82.2703 29.1345 -24.2352 45.7664 -24.2352 5.43671 GPRESSAVG: 230200 -37.8761 -81.8765 45.2378 -85.033 29.7118 -23.0846 44.3242 -25.2645 5.45795 TIMING: 230200 CPU: 724.7, 0.00313843/step Wall: 724.7, 0.00313843/step, 4.15825 hours remaining, 236.718750 MB of memory in use. ENERGY: 230200 3966.3539 20448.0788 14482.5933 253.5928 -203172.0585 2335.9663 0.0000 0.0000 52078.6553 -109606.8181 299.2967 -161685.4735 -109247.1419 298.5466 -149.7718 -126.1710 761817.3157 -0.7317 -0.9021 PRESSURE: 230400 -12.7139 -56.3645 -62.8456 -56.3645 199.357 73.4911 -62.8464 73.4911 -108.473 GPRESSURE: 230400 -21.9033 82.8645 22.0928 -15.9558 222.212 127.373 29.2675 116.419 -41.9876 PRESSAVG: 230400 -59.492 -34.7829 -55.6134 -34.7829 29.2595 1.30063 -55.6135 1.30061 -14.6162 GPRESSAVG: 230400 -59.9155 -37.133 -52.524 -33.9942 29.5326 3.08021 -55.0992 2.59591 -14.4015 TIMING: 230400 CPU: 725.326, 0.00312944/step Wall: 725.326, 0.00312944/step, 4.14617 hours remaining, 236.718750 MB of memory in use. ENERGY: 230400 4099.8018 20497.8626 14489.8824 251.8955 -203360.5150 2619.6641 0.0000 0.0000 52208.8230 -109192.5856 300.0448 -161401.4086 -108831.3785 299.6617 26.0569 52.7736 760758.6077 -14.9496 -14.9281 PRESSURE: 230600 -139.976 135.067 79.6625 135.067 -116.065 426.248 79.6626 426.247 133.609 GPRESSURE: 230600 -37.5972 67.8323 19.1408 45.6037 -129.431 382.826 227.762 209.924 132.385 PRESSAVG: 230600 15.2043 -45.2074 8.69899 -45.2074 4.44388 30.4334 8.69903 30.4333 -16.8204 GPRESSAVG: 230600 16.7123 -42.6734 6.99017 -44.5157 3.44804 28.9628 7.90064 31.5007 -16.894 TIMING: 230600 CPU: 725.95, 0.00311948/step Wall: 725.95, 0.00311948/step, 4.13279 hours remaining, 236.718750 MB of memory in use. ENERGY: 230600 4015.1109 20673.0576 14478.0778 232.0163 -203018.2404 2590.1860 0.0000 0.0000 51898.5860 -109131.2058 298.2619 -161029.7918 -108785.3603 299.8349 -40.8105 -11.5476 762175.0938 0.9426 1.0888 PRESSURE: 230800 -407.306 -129.924 75.52 -129.924 -415.607 -51.9777 75.5198 -51.9776 -369.813 GPRESSURE: 230800 -411.998 -218.889 69.7762 -166.659 -365.767 -49.1237 115.364 -41.7937 -342.505 PRESSAVG: 230800 26.0471 -14.2558 18.0592 -14.2558 -16.7324 11.2226 18.0592 11.2226 39.9477 GPRESSAVG: 230800 25.9112 -14.1772 17.118 -13.3619 -15.4839 11.4643 18.1289 9.47199 39.1884 TIMING: 230800 CPU: 726.574, 0.00312088/step Wall: 726.574, 0.00312088/step, 4.13448 hours remaining, 236.718750 MB of memory in use. ENERGY: 230800 4031.9299 20559.2972 14430.6261 260.7667 -202356.2015 2019.0617 0.0000 0.0000 51835.6969 -109218.8229 297.9005 -161054.5198 -108853.5551 299.5720 -397.5756 -373.4233 762949.9643 16.4208 16.5386 PRESSURE: 231000 -8.41554 158.463 -96.6405 158.462 138.168 90.6474 -96.6407 90.6468 347.615 GPRESSURE: 231000 80.1817 109.054 -131.339 119.585 92.7371 107.808 -141.305 78.2425 378.243 PRESSAVG: 231000 0.889883 -14.1037 21.7855 -14.1037 -15.5804 -33.7105 21.7855 -33.7105 -8.11679 GPRESSAVG: 231000 0.188731 -13.9735 22.6791 -15.3235 -16.2931 -32.2178 22.4036 -32.67 -6.72609 TIMING: 231000 CPU: 727.199, 0.00312573/step Wall: 727.199, 0.00312573/step, 4.14072 hours remaining, 236.718750 MB of memory in use. ENERGY: 231000 3951.5478 20539.5059 14451.0607 248.8769 -203532.6060 2855.8617 0.0000 0.0000 52238.5173 -109247.2359 300.2155 -161485.7532 -108893.0876 299.2396 159.1225 183.7207 762244.5220 -7.6024 -7.6102 PRESSURE: 231200 45.3057 108.835 56.338 108.836 -290.396 -232.249 56.3382 -232.249 329.97 GPRESSURE: 231200 84.4591 -60.3683 41.192 55.9566 -201.563 -271.006 68.4732 -94.8195 300.817 PRESSAVG: 231200 4.89279 3.83583 41.9296 3.83591 -15.3198 -20.0831 41.9296 -20.083 -18.9344 GPRESSAVG: 231200 5.06817 2.31114 41.594 4.23977 -14.4948 -19.7516 41.4912 -20.5409 -19.8399 TIMING: 231200 CPU: 727.826, 0.00313424/step Wall: 727.826, 0.00313424/step, 4.15183 hours remaining, 236.718750 MB of memory in use. ENERGY: 231200 3922.3919 20338.0735 14510.1160 255.6150 -203068.7021 2754.4530 0.0000 0.0000 52153.8518 -109134.2008 299.7289 -161288.0526 -108770.3572 299.6463 28.2932 61.2375 763854.0267 -9.7871 -9.7555 PRESSURE: 231400 -247.665 125.454 -185.347 125.454 54.4193 108.473 -185.346 108.473 164.638 GPRESSURE: 231400 -146.196 28.0852 -246.251 171.695 9.54548 109.856 -106.522 -4.24512 173.907 PRESSAVG: 231400 -55.7087 -54.0535 55.3293 -54.0534 4.27971 12.4749 55.3293 12.475 19.1031 GPRESSAVG: 231400 -56.7356 -56.4098 55.1054 -51.8025 4.84094 11.5235 57.0799 14.0019 19.3493 TIMING: 231400 CPU: 728.453, 0.00313565/step Wall: 728.453, 0.00313565/step, 4.15351 hours remaining, 236.718750 MB of memory in use. ENERGY: 231400 4032.1603 20450.3208 14442.0858 259.8683 -203220.2665 2722.9684 0.0000 0.0000 52073.1546 -109239.7083 299.2651 -161312.8629 -108877.5550 299.4300 -9.5360 12.4186 765337.1491 -10.7753 -10.8484 PRESSURE: 231600 -75.5047 -45.2341 -117.159 -45.2332 -148.076 53.9297 -117.159 53.9311 -653.307 GPRESSURE: 231600 -22.2318 -8.61335 -52.9253 -186.398 -197.11 31.9462 -195.595 73.4725 -588.105 PRESSAVG: 231600 -0.841812 10.1441 -16.2214 10.1442 58.9988 8.16283 -16.2214 8.16281 2.36061 GPRESSAVG: 231600 -0.873803 13.4133 -16.5438 7.61357 58.7714 7.61714 -16.0685 8.32253 1.9136 TIMING: 231600 CPU: 729.081, 0.00313794/step Wall: 729.081, 0.00313794/step, 4.15638 hours remaining, 236.718750 MB of memory in use. ENERGY: 231600 3979.4926 20434.2701 14424.7284 243.5327 -202900.8568 2479.8694 0.0000 0.0000 52204.8315 -109134.1321 300.0219 -161338.9636 -108764.3767 299.6250 -292.2959 -269.1490 764513.1187 20.1725 19.9371 PRESSURE: 231800 -210.904 57.0692 -221.343 57.0693 -199.429 -76.1912 -221.344 -76.1918 70.9861 GPRESSURE: 231800 -144.879 48.2612 -119.925 -50.5081 -196.642 -51.1807 -212.593 -178.303 76.2809 PRESSAVG: 231800 -77.9792 1.04478 -65.4641 1.04482 38.3045 7.52994 -65.464 7.53 -34.3097 GPRESSAVG: 231800 -78.0174 1.68352 -66.2357 3.50495 37.6277 7.25119 -63.6314 6.09617 -33.4301 TIMING: 231800 CPU: 729.711, 0.0031521/step Wall: 729.711, 0.0031521/step, 4.17496 hours remaining, 236.718750 MB of memory in use. ENERGY: 231800 3968.5725 20628.9616 14430.9338 267.0333 -202946.1142 2637.2619 0.0000 0.0000 51835.3075 -109178.0437 297.8982 -161013.3511 -108812.9252 299.8704 -113.1157 -88.4133 763262.7429 -24.6615 -24.6066 PRESSURE: 232000 -350.25 -255.448 -17.4494 -255.447 -26.7469 -237.599 -17.4497 -237.599 10.6869 GPRESSURE: 232000 -308.111 -167.963 -94.6708 -164.123 -2.42743 -341.793 16.2677 -75.94 37.1945 PRESSAVG: 232000 1.89153 -15.32 -39.0248 -15.32 15.628 -25.1895 -39.0248 -25.1895 6.12094 GPRESSAVG: 232000 1.79842 -15.1964 -37.75 -17.9178 15.6192 -25.0314 -41.0394 -24.6003 6.0063 TIMING: 232000 CPU: 730.34, 0.0031458/step Wall: 730.34, 0.0031458/step, 4.16643 hours remaining, 236.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 232000 3993.3418 20439.4859 14411.0341 240.5069 -202822.2730 2401.5326 0.0000 0.0000 52228.8387 -109107.5330 300.1599 -161336.3717 -108743.6232 300.1416 -122.1033 -91.1147 760991.7358 7.8802 7.8080 PRESSURE: 232200 50.3908 73.4434 -276.384 73.4436 200.438 231.414 -276.383 231.415 152.649 GPRESSURE: 232200 128.045 51.9537 -279.798 -40.551 261.81 257.317 -139.235 181.005 66.6285 PRESSAVG: 232200 -30.0154 13.2391 8.14738 13.2391 58.7764 12.7107 8.14739 12.7107 -18.5289 GPRESSAVG: 232200 -28.7791 11.1538 6.81864 14.6771 58.9586 13.8544 8.41337 12.2657 -19.4393 TIMING: 232200 CPU: 730.972, 0.00315732/step Wall: 730.972, 0.00315732/step, 4.18152 hours remaining, 236.718750 MB of memory in use. ENERGY: 232200 3968.7242 20475.5136 14465.2637 241.2938 -203170.1751 2849.3196 0.0000 0.0000 51973.2565 -109196.8038 298.6910 -161170.0603 -108845.5508 299.5668 134.4927 152.1611 762639.7431 3.4107 3.5801 LDB: ============= START OF LOAD BALANCING ============== 743.422 LDB: ============== END OF LOAD BALANCING =============== 743.422 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 743.424 LDB: ============= START OF LOAD BALANCING ============== 743.738 LDB: Largest compute 7076 load 0.036113 is 18.5% of average load 0.194819 LDB: Average compute 0.004396 is 2.3% of average load 0.194819 LDB: TIME 743.742 LOAD: AVG 0.194819 MAX 0.211616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 743.742 LOAD: AVG 0.194819 MAX 0.211616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 743.742 LOAD: AVG 0.194819 MAX 0.211616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 743.744 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 743.749 PRESSURE: 232400 13.5257 -83.7394 -188.221 -83.7403 173.628 -83.6213 -188.222 -83.6213 -14.8484 GPRESSURE: 232400 37.4963 -9.62518 -187.242 -94.9941 143.127 -89.2136 -194.804 -84.1861 60.2999 PRESSAVG: 232400 -15.3789 -0.748778 -16.3705 -0.748773 -8.25332 -40.6608 -16.3705 -40.6609 19.6543 GPRESSAVG: 232400 -15.0048 1.39618 -14.7087 -1.9392 -7.53034 -43.5513 -17.1669 -38.9184 18.3212 TIMING: 232400 CPU: 731.613, 0.00320574/step Wall: 731.613, 0.00320574/step, 4.24546 hours remaining, 234.906250 MB of memory in use. ENERGY: 232400 3957.5704 20396.6193 14456.6052 248.8071 -203112.5207 2736.1260 0.0000 0.0000 52148.9463 -109167.8464 299.7007 -161316.7926 -108798.4553 299.5522 57.4351 80.3076 762854.4811 -1.3260 -1.4046 PRESSURE: 232600 -113.227 -79.4109 -215.825 -79.4102 -19.8382 -20.0512 -215.824 -20.0524 -155.572 GPRESSURE: 232600 -60.0916 -39.8582 -258.378 -77.0739 -9.00684 84.4794 -198.959 -5.54249 -154.718 PRESSAVG: 232600 4.2959 -33.6688 26.2207 -33.6688 -8.72311 7.00192 26.2207 7.00192 -24.5523 GPRESSAVG: 232600 3.27195 -35.3026 23.6978 -32.817 -9.23184 9.78326 25.4838 6.85242 -22.748 TIMING: 232600 CPU: 732.24, 0.0031351/step Wall: 732.24, 0.0031351/step, 4.15175 hours remaining, 234.906250 MB of memory in use. ENERGY: 232600 3986.9883 20759.4988 14486.8014 255.1579 -202998.4571 2369.0330 0.0000 0.0000 52096.0850 -109044.8927 299.3969 -161140.9777 -108696.6339 299.7592 -96.2125 -74.6053 763153.9359 -9.6598 -9.5693 PRESSURE: 232800 -207.126 -223.697 -213.218 -223.696 -16.5878 116.595 -213.218 116.594 149.642 GPRESSURE: 232800 -188.285 -221.662 -160.177 -176.73 107.786 126.293 -353.948 61.0745 111.523 PRESSAVG: 232800 -40.2275 -22.7516 -10.0023 -22.7516 19.7779 10.6942 -10.0023 10.6943 23.8788 GPRESSAVG: 232800 -38.3264 -22.5807 -8.87417 -21.4822 19.2137 9.71563 -10.8934 13.08 22.5269 TIMING: 232800 CPU: 732.871, 0.00315332/step Wall: 732.871, 0.00315332/step, 4.1757 hours remaining, 234.906250 MB of memory in use. ENERGY: 232800 3991.3617 20545.9664 14499.6217 265.5654 -203164.5080 2643.9289 0.0000 0.0000 52234.5981 -108983.4658 300.1930 -161218.0639 -108629.0542 299.7537 -24.6908 10.3416 762034.1644 1.1431 1.1381 PRESSURE: 233000 6.7325 56.7466 -164.146 56.7469 135.609 195.979 -164.146 195.977 182.197 GPRESSURE: 233000 85.1115 67.3121 -91.4175 126.078 142.488 173.382 -109.435 54.888 185.108 PRESSAVG: 233000 8.31421 -22.2144 -22.0677 -22.2144 20.403 -39.2717 -22.0677 -39.2717 5.34455 GPRESSAVG: 233000 7.07993 -22.4465 -20.9609 -23.1728 20.6744 -38.33 -22.1854 -43.2517 6.56971 TIMING: 233000 CPU: 733.5, 0.003147/step Wall: 733.5, 0.003147/step, 4.16715 hours remaining, 234.906250 MB of memory in use. ENERGY: 233000 3931.9649 20397.4646 14523.1329 241.9294 -203659.4332 3027.8003 0.0000 0.0000 52369.4684 -109167.6727 300.9681 -161537.1411 -108807.4359 300.1468 108.1796 137.5690 762157.0976 11.3539 11.4414 PRESSURE: 233200 -127.361 -207.951 -39.3708 -207.952 -252.613 -156.019 -39.3706 -156.018 -416.91 GPRESSURE: 233200 -92.416 -127.705 -44.2615 -81.1781 -188.101 -220.541 -1.80516 -223.759 -433.167 PRESSAVG: 233200 33.9275 3.10225 61.783 3.10224 -17.4219 -15.0127 61.783 -15.0126 2.25866 GPRESSAVG: 233200 33.9856 2.77078 60.1411 3.74488 -16.7907 -15.33 66.066 -13.1767 1.78825 TIMING: 233200 CPU: 734.125, 0.00312374/step Wall: 734.125, 0.00312374/step, 4.13618 hours remaining, 234.906250 MB of memory in use. ENERGY: 233200 3916.0235 20265.7866 14487.9641 230.6009 -203069.2996 2650.9558 0.0000 0.0000 52016.8019 -109501.1669 298.9413 -161517.9688 -109124.4850 299.1080 -265.6278 -237.8948 762882.2854 6.2548 6.3277 PRESSURE: 233400 -199.011 -77.5228 -58.7034 -77.5233 134.981 37.3975 -58.7039 37.397 -104.37 GPRESSURE: 233400 -153.583 -21.1349 -28.7509 -70.9115 142.423 67.3055 -169.93 128.638 -78.0215 PRESSAVG: 233400 0.83465 -16.4733 42.915 -16.4732 -35.4725 3.94932 42.915 3.94932 3.49452 GPRESSAVG: 233400 2.6508 -15.8598 43.3697 -15.1583 -36.5019 0.614374 39.3167 4.16332 1.93848 TIMING: 233400 CPU: 734.75, 0.00312427/step Wall: 734.75, 0.00312427/step, 4.13671 hours remaining, 234.906250 MB of memory in use. ENERGY: 233400 3994.1404 20502.2321 14547.1409 238.1729 -203448.8748 2716.3961 0.0000 0.0000 52200.6080 -109250.1843 299.9976 -161450.7924 -108888.2225 299.1923 -56.1330 -29.7271 762647.8897 -10.3811 -10.6375 PRESSURE: 233600 109.956 -125.518 -21.6531 -125.518 97.6772 -146.348 -21.6531 -146.348 -297.283 GPRESSURE: 233600 193.63 -84.1459 112.582 -116.983 71.0985 -119.979 89.8082 -55.1122 -284.163 PRESSAVG: 233600 81.3834 33.9326 22.5153 33.9326 -20.6811 -48.7885 22.5153 -48.7885 -1.75071 GPRESSAVG: 233600 80.5064 34.8755 24.152 31.2836 -20.7712 -46.9617 23.167 -49.7665 -0.774393 TIMING: 233600 CPU: 735.378, 0.00314002/step Wall: 735.378, 0.00314002/step, 4.15739 hours remaining, 234.906250 MB of memory in use. ENERGY: 233600 3965.4159 20550.7594 14514.5952 242.4911 -203182.7055 2457.4695 0.0000 0.0000 52112.2791 -109339.6952 299.4900 -161451.9743 -108978.6681 299.3796 -29.8832 -6.4783 761183.4960 19.6505 19.6536 PRESSURE: 233800 178.382 -59.5472 -1.5573 -59.5471 30.2374 -104.229 -1.55683 -104.229 65.8162 GPRESSURE: 233800 106.914 -93.4635 47.2569 34.8929 113.435 -169.922 28.4332 9.78204 128.307 PRESSAVG: 233800 -11.9423 -52.1428 2.92906 -52.1428 -12.8189 5.00048 2.92909 5.0005 -5.28231 GPRESSAVG: 233800 -12.8742 -54.2419 -0.0401423 -49.5686 -11.3809 7.27777 3.21653 5.33594 -5.68156 TIMING: 233800 CPU: 736.004, 0.00313304/step Wall: 736.004, 0.00313304/step, 4.14797 hours remaining, 234.906250 MB of memory in use. ENERGY: 233800 4018.9780 20516.1751 14430.2958 253.0501 -203117.1177 2490.4765 0.0000 0.0000 52266.2143 -109141.9278 300.3747 -161408.1421 -108778.3649 299.7688 91.4786 116.2186 762149.0748 -10.0145 -9.9789 PRESSURE: 234000 -217.277 -63.7322 -19.2828 -63.7321 110.586 4.48367 -19.2836 4.48323 -140.174 GPRESSURE: 234000 -210.526 -42.8808 41.4058 -136.94 151.752 39.5487 -72.5196 57.1148 -108.06 PRESSAVG: 234000 6.88919 -9.63269 -28.4387 -9.63271 -16.2486 42.2972 -28.4386 42.2972 7.86838 GPRESSAVG: 234000 6.3705 -7.06566 -27.0523 -11.4578 -17.1442 40.5689 -28.0995 40.813 8.95846 TIMING: 234000 CPU: 736.631, 0.00313396/step Wall: 736.631, 0.00313396/step, 4.14902 hours remaining, 234.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 234000 4009.2670 20509.5429 14484.2151 223.6116 -203378.7561 2736.3255 0.0000 0.0000 52284.9592 -109130.8347 300.4824 -161415.7939 -108765.1982 299.6162 -82.2883 -55.6115 763805.5332 -0.4970 -0.6051 PRESSURE: 234200 -202.717 -163.566 -117.041 -163.566 38.5939 -48.6304 -117.041 -48.6301 -255.978 GPRESSURE: 234200 -222.388 -30.667 -57.675 -240.662 54.6662 10.871 32.0586 -41.4684 -156.288 PRESSAVG: 234200 -21.3625 -41.4475 12.2981 -41.4476 -1.40599 39.8313 12.2981 39.8313 11.3998 GPRESSAVG: 234200 -20.8028 -41.6616 12.7537 -41.3153 -2.34484 41.5753 12.8418 40.4961 11.0391 TIMING: 234200 CPU: 737.255, 0.00312159/step Wall: 737.255, 0.00312159/step, 4.13246 hours remaining, 234.906250 MB of memory in use. ENERGY: 234200 3948.5454 20735.6277 14503.4014 223.7583 -202929.8982 2439.7520 0.0000 0.0000 51926.8220 -109151.9914 298.4242 -161078.8134 -108790.1152 300.1533 -140.0336 -108.0034 763202.4065 -3.7896 -4.0362 PRESSURE: 234400 -52.812 190.145 108.176 190.145 -65.451 -171.353 108.176 -171.354 113.039 GPRESSURE: 234400 23.4193 97.7824 128.309 100.342 -47.8467 -181.121 155.859 -172.688 87.6701 PRESSAVG: 234400 -54.5739 -9.95704 -17.6511 -9.95698 25.0886 34.2583 -17.6511 34.2582 -2.1339 GPRESSAVG: 234400 -55.0283 -13.1956 -18.1772 -9.51642 26.3466 31.1414 -17.17 35.4842 -2.96658 TIMING: 234400 CPU: 737.884, 0.00314214/step Wall: 737.884, 0.00314214/step, 4.15949 hours remaining, 234.906250 MB of memory in use. ENERGY: 234400 3977.2417 20619.8152 14501.0873 261.3209 -203181.2083 2430.7908 0.0000 0.0000 52281.1048 -109109.8477 300.4602 -161390.9525 -108743.8945 299.6147 -1.7413 21.0809 761322.7810 -10.5397 -10.5494 PRESSURE: 234600 403.712 -315.359 123.355 -315.358 235.44 -195.352 123.354 -195.352 93.1362 GPRESSURE: 234600 393.581 -236.932 100.669 -239.938 338.989 -210.055 -64.4934 -272.143 82.1279 PRESSAVG: 234600 8.01554 8.00753 -4.32375 8.00758 45.1444 -1.05783 -4.32374 -1.05776 17.5006 GPRESSAVG: 234600 8.58303 11.7385 -4.73916 7.98627 44.0742 -0.591853 -6.0646 -2.11065 17.2257 TIMING: 234600 CPU: 738.511, 0.00313432/step Wall: 738.511, 0.00313432/step, 4.14897 hours remaining, 234.906250 MB of memory in use. ENERGY: 234600 4007.0877 20483.4854 14431.0451 231.2276 -203307.9007 2657.7969 0.0000 0.0000 52457.1853 -109040.0728 301.4722 -161497.2581 -108683.8056 299.9710 244.0963 271.5662 762878.1670 23.5535 23.2943 PRESSURE: 234800 -401.85 -64.4818 -200.519 -64.4823 -36.6763 -133.53 -200.519 -133.53 -53.2577 GPRESSURE: 234800 -349.631 -152.137 -223.518 -3.83095 34.7906 -133.17 -85.1382 -169.218 -94.6398 PRESSAVG: 234800 -34.2489 -66.4315 -21.4394 -66.4315 42.1266 -52.7703 -21.4394 -52.7703 -18.923 GPRESSAVG: 234800 -34.7577 -68.2754 -22.2941 -66.1557 42.2253 -53.325 -20.6195 -53.6594 -18.8381 TIMING: 234800 CPU: 739.138, 0.00313607/step Wall: 739.138, 0.00313607/step, 4.15111 hours remaining, 234.906250 MB of memory in use. ENERGY: 234800 3994.6148 20441.1226 14520.3342 252.7744 -202677.7701 2269.9053 0.0000 0.0000 52087.8111 -109111.2077 299.3494 -161199.0189 -108745.5394 299.8407 -163.9279 -136.4933 762772.6152 -3.6818 -3.7902 PRESSURE: 235000 511.057 -47.5875 62.3378 -47.5877 180.376 -115.402 62.3376 -115.402 106.465 GPRESSURE: 235000 511.074 -27.1206 62.5207 -66.2807 190.475 -25.9695 47.0317 -56.0429 170.475 PRESSAVG: 235000 -32.5467 -39.6562 2.2116 -39.6562 38.1054 -12.3771 2.21165 -12.3772 8.81706 GPRESSAVG: 235000 -32.0342 -37.6635 3.58271 -41.8755 37.8051 -11.6946 2.58381 -11.5279 8.96466 TIMING: 235000 CPU: 739.768, 0.00314992/step Wall: 739.768, 0.00314992/step, 4.16927 hours remaining, 234.906250 MB of memory in use. ENERGY: 235000 3991.5681 20492.6712 14503.9021 246.3559 -203150.8664 2751.4958 0.0000 0.0000 52116.8741 -109047.9992 299.5164 -161164.8733 -108687.5139 299.9789 265.9659 290.6749 762400.3061 4.7919 4.9119 PRESSURE: 235200 180.286 -132.396 -89.1768 -132.396 212.679 96.6091 -89.1767 96.6083 -102.598 GPRESSURE: 235200 250.21 -19.4871 -207.835 -67.8699 240.146 126.917 49.3129 -65.7833 -103.674 PRESSAVG: 235200 35.0228 8.21567 26.2807 8.2157 -19.6589 -15.6205 26.2808 -15.6205 14.2737 GPRESSAVG: 235200 34.8666 8.35451 25.9416 9.28786 -19.7861 -13.7916 25.5296 -17.257 14.944 TIMING: 235200 CPU: 740.396, 0.0031387/step Wall: 740.396, 0.0031387/step, 4.15424 hours remaining, 234.906250 MB of memory in use. ENERGY: 235200 4000.1419 20529.1468 14495.7402 249.2657 -202809.2657 2309.9144 0.0000 0.0000 52160.5613 -109064.4954 299.7675 -161225.0567 -108706.0399 300.3568 96.7890 128.8940 762964.8319 9.8792 10.0082 PRESSURE: 235400 -159.974 70.2481 284.243 70.2481 -141.769 -313.332 284.243 -313.332 -136.885 GPRESSURE: 235400 -224.933 -44.5773 311.124 -5.90937 -92.0967 -347.329 304.036 -352.196 -26.1437 PRESSAVG: 235400 29.2323 -79.4697 -12.1465 -79.4697 -26.9141 14.3657 -12.1466 14.3658 14.3887 GPRESSAVG: 235400 27.6253 -81.3052 -12.4337 -78.3363 -25.7895 14.2856 -12.7685 15.4284 14.8762 TIMING: 235400 CPU: 741.021, 0.00312881/step Wall: 741.021, 0.00312881/step, 4.14098 hours remaining, 234.906250 MB of memory in use. ENERGY: 235400 3993.0793 20531.2506 14448.5591 250.0301 -203247.9832 2743.4953 0.0000 0.0000 52174.3890 -109107.1798 299.8469 -161281.5688 -108750.2017 299.4872 -146.2095 -114.3911 763022.6278 5.5689 5.5707 PRESSURE: 235600 -80.9074 51.8004 -126.793 51.8008 -222.815 -141.666 -126.792 -141.665 47.622 GPRESSURE: 235600 29.1611 105.909 -57.6614 89.4366 -226.912 -147.461 -115.462 -54.9771 38.325 PRESSAVG: 235600 1.07552 -17.5941 21.1708 -17.5942 -49.4713 -58.9027 21.1708 -58.9028 22.7735 GPRESSAVG: 235600 2.20196 -15.4836 22.6016 -18.6788 -50.7718 -58.1115 22.0286 -59.0936 23.0823 TIMING: 235600 CPU: 741.648, 0.00313478/step Wall: 741.648, 0.00313478/step, 4.1487 hours remaining, 234.906250 MB of memory in use. ENERGY: 235600 4085.1545 20358.0874 14445.4840 243.5224 -203540.9990 2881.0979 0.0000 0.0000 52403.2814 -109124.3714 301.1624 -161527.6528 -108748.0781 299.7803 -85.3668 -53.1419 762874.0690 -8.5408 -8.4958 PRESSURE: 235800 -82.0193 -252.669 -167.623 -252.669 364.443 191.827 -167.624 191.827 150.85 GPRESSURE: 235800 -34.7212 -331.578 -189.474 -288.346 411.018 341.795 -212.893 252.323 133.489 PRESSAVG: 235800 5.75152 -12.1801 -14.7787 -12.1802 1.71562 26.4698 -14.7787 26.4698 -18.4729 GPRESSAVG: 235800 6.59265 -14.8543 -15.2674 -11.1745 2.46234 25.0114 -15.0155 28.437 -19.7345 TIMING: 235800 CPU: 742.279, 0.00315577/step Wall: 742.279, 0.00315577/step, 4.17631 hours remaining, 234.906250 MB of memory in use. ENERGY: 235800 3853.7789 20603.6197 14467.7344 232.8891 -203177.4629 2696.9259 0.0000 0.0000 52189.1158 -109133.3990 299.9316 -161322.5148 -108760.8941 299.8151 144.4244 169.9284 763557.8895 -3.6686 -3.5598 PRESSURE: 236000 -110.083 49.4367 -100.326 49.4373 222.808 8.62108 -100.325 8.62128 307.725 GPRESSURE: 236000 -31.3053 20.5224 -52.1893 74.6179 116.554 -118.687 -16.8464 -103.64 418.969 PRESSAVG: 236000 -1.50488 -49.8972 16.5864 -49.8972 25.5897 -33.2886 16.5865 -33.2886 4.18286 GPRESSAVG: 236000 -2.97789 -50.5205 16.2904 -49.0172 25.2256 -33.9099 15.6047 -35.6742 6.33981 TIMING: 236000 CPU: 742.91, 0.00315133/step Wall: 742.91, 0.00315133/step, 4.17026 hours remaining, 234.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 236000 3875.6701 20431.9303 14545.8013 245.9301 -203562.8932 2887.8670 0.0000 0.0000 52333.6234 -109242.0710 300.7621 -161575.6944 -108871.0998 300.0546 140.1502 168.0726 759934.0064 9.4226 9.5292 PRESSURE: 236200 -79.5801 -132.182 -83.5053 -132.183 89.8279 -71.8928 -83.5063 -71.8933 -113.779 GPRESSURE: 236200 -84.8335 -69.3949 -185.974 -216.22 155.721 -99.7869 -123.751 -71.0186 -71.1767 PRESSAVG: 236200 19.8355 -68.6803 22.9615 -68.6804 -12.4511 -23.7247 22.9615 -23.7247 -6.68507 GPRESSAVG: 236200 20.8299 -68.6294 23.7924 -67.9008 -12.5825 -24.2389 25.3391 -21.7158 -8.20937 TIMING: 236200 CPU: 743.539, 0.00314736/step Wall: 743.539, 0.00314736/step, 4.16484 hours remaining, 234.906250 MB of memory in use. ENERGY: 236200 3975.6698 20566.0503 14508.9894 245.3776 -203329.8004 2516.7220 0.0000 0.0000 52307.8160 -109209.1753 300.6137 -161516.9913 -108845.5526 299.9147 -34.5105 -0.0963 761286.3320 0.2331 0.0127 LDB: ============= START OF LOAD BALANCING ============== 755.99 LDB: ============== END OF LOAD BALANCING =============== 755.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 755.992 LDB: ============= START OF LOAD BALANCING ============== 756.308 LDB: Largest compute 7076 load 0.038317 is 19.7% of average load 0.194696 LDB: Average compute 0.004388 is 2.3% of average load 0.194696 LDB: TIME 756.312 LOAD: AVG 0.194696 MAX 0.210639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.707 MB LDB: TIME 756.312 LOAD: AVG 0.194696 MAX 0.210639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.707 MB LDB: TIME 756.312 LOAD: AVG 0.194696 MAX 0.210639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.707 MB LDB: ============== END OF LOAD BALANCING =============== 756.314 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 756.319 PRESSURE: 236400 20.5552 -74.2752 -59.2413 -74.2748 159.994 -41.1636 -59.2417 -41.1637 334.18 GPRESSURE: 236400 132.06 -96.9163 -176.313 -17.0272 161.682 -68.3798 -69.2851 49.8947 311.277 PRESSAVG: 236400 3.78333 7.90868 -27.9944 7.90873 -29.1212 -32.347 -27.9944 -32.347 -5.06984 GPRESSAVG: 236400 3.45713 8.44916 -28.771 7.91719 -29.0492 -31.6201 -30.6902 -34.6086 -4.72953 TIMING: 236400 CPU: 744.183, 0.0032202/step Wall: 744.183, 0.0032202/step, 4.26104 hours remaining, 234.195312 MB of memory in use. ENERGY: 236400 3921.8458 20552.8345 14514.0534 252.0505 -203458.4402 2614.6590 0.0000 0.0000 51977.8037 -109625.1934 298.7172 -161602.9970 -109260.9865 299.7010 171.5762 201.6731 761608.5422 -10.1359 -10.1072 PRESSURE: 236600 -224.769 -203.874 -20.8969 -203.874 -143.674 -32.1727 -20.8961 -32.1707 14.2662 GPRESSURE: 236600 -191.635 -168.086 43.7024 -114.653 -98.4892 -146.364 -16.8687 122.684 31.4135 PRESSAVG: 236600 -33.6758 -31.7115 -65.6451 -31.7116 -12.2068 -39.6199 -65.6451 -39.6199 1.95761 GPRESSAVG: 236600 -33.6164 -30.8283 -65.2643 -32.146 -12.3337 -39.0846 -65.3365 -37.3449 1.9681 TIMING: 236600 CPU: 744.812, 0.00314311/step Wall: 744.812, 0.00314312/step, 4.15887 hours remaining, 234.195312 MB of memory in use. ENERGY: 236600 4072.7673 20559.5803 14438.8426 229.2445 -203294.7718 2279.5295 0.0000 0.0000 52049.1155 -109665.6923 299.1270 -161714.8078 -109304.3597 298.8720 -118.0591 -86.2369 760119.7308 -14.6417 -14.6606 PRESSURE: 236800 -305.018 50.3742 168.081 50.3737 -430.543 54.2632 168.082 54.2632 -235.21 GPRESSURE: 236800 -271.285 100.801 245.396 29.9713 -393.26 122.33 164.934 -33.8425 -217.039 PRESSAVG: 236800 23.2813 -82.1134 -13.3658 -82.1135 8.37172 -16.5173 -13.3658 -16.5173 -10.8897 GPRESSAVG: 236800 22.8231 -81.3229 -13.1097 -82.6199 7.24557 -15.8411 -14.113 -18.112 -9.4737 TIMING: 236800 CPU: 745.44, 0.00314299/step Wall: 745.44, 0.00314299/step, 4.15852 hours remaining, 234.195312 MB of memory in use. ENERGY: 236800 4017.8819 20574.1815 14501.4759 257.7936 -203692.2205 2537.1115 0.0000 0.0000 52013.4709 -109790.3053 298.9221 -161803.7761 -109430.5523 298.8866 -323.5902 -293.8611 761830.8926 6.9211 6.8650 PRESSURE: 237000 168.581 95.5793 -66.9594 95.5791 84.8391 35.1475 -66.9601 35.1474 -267.676 GPRESSURE: 237000 281.092 -18.5037 -132.653 158.734 73.2932 35.3307 -91.5492 -55.0582 -297.25 PRESSAVG: 237000 7.55263 -7.8278 42.6182 -7.82775 44.9319 27.0068 42.6182 27.0069 7.46913 GPRESSAVG: 237000 6.44089 -7.50238 42.115 -9.44981 47.0662 26.5135 43.0334 27.43 6.00353 TIMING: 237000 CPU: 746.065, 0.00312547/step Wall: 746.065, 0.00312547/step, 4.13517 hours remaining, 234.195312 MB of memory in use. ENERGY: 237000 4086.2893 20563.9026 14526.0093 263.1555 -204164.7999 2830.9772 0.0000 0.0000 52110.2222 -109784.2437 299.4782 -161894.4659 -109418.2958 298.5672 -4.7522 19.0450 760563.9778 19.9846 19.8369 PRESSURE: 237200 109.034 59.6438 -155.397 59.6452 -109.706 123.648 -155.397 123.648 -28.6477 GPRESSURE: 237200 159.808 11.512 -168.071 50.0616 -100.656 85.3081 -173.029 112.076 -13.1498 PRESSAVG: 237200 -4.28751 -61.2963 -39.6255 -61.2962 26.8399 5.18608 -39.6255 5.18607 -5.59281 GPRESSAVG: 237200 -2.90262 -58.8617 -40.2246 -61.3069 24.5406 3.51631 -37.724 6.11062 -4.51964 TIMING: 237200 CPU: 746.688, 0.00311058/step Wall: 746.688, 0.00311058/step, 4.11529 hours remaining, 234.195312 MB of memory in use. ENERGY: 237200 3983.0949 20507.1963 14471.6101 225.7026 -203845.5564 2745.2217 0.0000 0.0000 52184.4303 -109728.3005 299.9046 -161912.7308 -109357.0226 298.5825 -9.7732 15.3339 761013.4312 5.6532 5.7061 PRESSURE: 237400 -50.7954 55.4364 -2.28014 55.4364 168.01 -3.49451 -2.28098 -3.49529 153.201 GPRESSURE: 237400 53.0772 65.4974 -42.3541 29.4599 191.724 -66.2712 144.934 -51.8154 103.769 PRESSAVG: 237400 -9.55402 -36.3554 -51.9634 -36.3554 -6.29911 29.7328 -51.9635 29.7328 0.843352 GPRESSAVG: 237400 -9.4815 -39.7887 -52.25 -35.4338 -4.60335 29.9067 -53.0185 29.4477 -0.05588 TIMING: 237400 CPU: 747.313, 0.00312725/step Wall: 747.313, 0.00312725/step, 4.13718 hours remaining, 234.195312 MB of memory in use. ENERGY: 237400 3992.5589 20537.7595 14471.5899 250.0314 -203916.4495 2855.7615 0.0000 0.0000 52253.1214 -109555.6270 300.2994 -161808.7484 -109202.4997 298.9888 90.1385 116.1901 760508.2794 -5.0033 -4.7136 PRESSURE: 237600 -126.508 -232.866 -76.3562 -232.866 52.8659 156.412 -76.3556 156.414 -80.1482 GPRESSURE: 237600 -153.476 -218.288 -96.5044 -265.04 73.9761 121.759 -113.01 116.341 12.7927 PRESSAVG: 237600 17.5154 -35.889 -37.5188 -35.8888 -22.209 -74.3887 -37.5188 -74.3886 -21.4203 GPRESSAVG: 237600 18.0184 -34.8826 -36.19 -36.3473 -22.5382 -73.4975 -39.0139 -74.3721 -22.2163 TIMING: 237600 CPU: 747.941, 0.0031374/step Wall: 747.941, 0.0031374/step, 4.15043 hours remaining, 234.195312 MB of memory in use. ENERGY: 237600 4012.9155 20572.4421 14499.6139 261.3213 -204087.5944 2949.5833 0.0000 0.0000 52141.9090 -109649.8093 299.6603 -161791.7183 -109288.1409 299.2435 -51.2634 -22.2356 760202.1676 -8.7046 -8.9120 PRESSURE: 237800 109.041 44.6065 130.655 44.6061 8.54688 -72.7283 130.654 -72.7301 -369.414 GPRESSURE: 237800 127.617 90.1638 155.61 51.2632 -12.0428 -28.9477 162.321 -56.4506 -280.996 PRESSAVG: 237800 12.7395 -43.3653 -31.0511 -43.3653 5.91913 -56.7591 -31.051 -56.7591 -7.16232 GPRESSAVG: 237800 11.3826 -44.0372 -32.0185 -43.7455 6.62467 -56.6583 -29.7843 -58.2899 -6.21057 TIMING: 237800 CPU: 748.569, 0.00313994/step Wall: 748.569, 0.00313994/step, 4.15362 hours remaining, 234.195312 MB of memory in use. ENERGY: 237800 4051.0566 20635.4902 14509.4738 286.6795 -203722.0173 2733.7380 0.0000 0.0000 51862.1348 -109643.4444 298.0524 -161505.5792 -109287.9104 299.2020 -83.9421 -55.1407 760351.7922 3.8321 3.9322 PRESSURE: 238000 445.483 -214.629 41.5872 -214.629 130.811 54.3624 41.5875 54.3623 260.21 GPRESSURE: 238000 405.139 -311.964 66.0904 -150.652 196.3 -43.6442 -15.7886 66.9964 296.869 PRESSAVG: 238000 44.0701 -1.54987 21.4748 -1.54982 -42.2495 36.1316 21.4748 36.1316 1.84933 GPRESSAVG: 238000 44.3778 -1.80082 20.4151 -0.399607 -42.0414 36.2232 22.5203 36.7146 1.41634 TIMING: 238000 CPU: 749.194, 0.00312926/step Wall: 749.194, 0.00312926/step, 4.13931 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: 238000 3946.5282 20705.4758 14469.2900 229.0077 -203541.4026 2535.1565 0.0000 0.0000 51959.2750 -109696.6693 298.6107 -161655.9443 -109334.6627 299.2035 278.8348 299.4361 759328.6141 1.2233 1.2509 PRESSURE: 238200 -301.812 52.3219 -185.855 52.3217 -308.647 136.933 -185.856 136.934 -132.515 GPRESSURE: 238200 -192.534 113.371 -131.186 66.1436 -310.955 247.513 -176.676 167.823 -153.141 PRESSAVG: 238200 39.1544 -2.38283 -25.1358 -2.38282 -14.3562 37.9623 -25.1358 37.9623 12.8385 GPRESSAVG: 238200 39.6203 -1.99196 -23.8776 -3.26926 -13.8686 39.4403 -25.4749 38.5361 11.9856 TIMING: 238200 CPU: 749.817, 0.00311078/step Wall: 749.817, 0.00311078/step, 4.11469 hours remaining, 234.195312 MB of memory in use. ENERGY: 238200 4085.4427 20609.0655 14570.5806 259.9590 -203278.6938 2438.1689 0.0000 0.0000 51844.3656 -109471.1116 297.9503 -161315.4771 -109113.9311 299.1295 -247.6578 -218.8767 759986.9424 12.5456 12.5791 PRESSURE: 238400 -168.075 101.417 62.7827 101.418 -90.4359 -33.5468 62.7824 -33.5484 224.834 GPRESSURE: 238400 -130.152 113.862 73.6738 71.8478 -45.3932 78.6897 47.4631 60.9526 236.513 PRESSAVG: 238400 4.44668 -4.1622 -10.1698 -4.16217 -25.3444 37.4134 -10.1697 37.4133 5.22409 GPRESSAVG: 238400 4.03563 -4.39465 -10.2528 -3.83278 -26.2437 36.4958 -10.2517 37.2131 6.68714 TIMING: 238400 CPU: 750.439, 0.00311274/step Wall: 750.439, 0.00311274/step, 4.11711 hours remaining, 234.195312 MB of memory in use. ENERGY: 238400 4088.4314 20479.2602 14490.2614 289.6885 -203420.2258 2538.1190 0.0000 0.0000 51914.3671 -109620.0981 298.3526 -161534.4653 -109252.8433 299.4912 -11.2256 20.3226 760153.5321 -5.2246 -5.1737 PRESSURE: 238600 -152.314 -108.253 53.5446 -108.253 -148.038 -14.5293 53.545 -14.5282 62.2856 GPRESSURE: 238600 -74.4659 -49.1417 13.3284 -60.2801 -198.216 -73.6583 -53.4766 50.7797 129.416 PRESSAVG: 238600 28.9954 -13.6515 -22.2128 -13.6515 -26.8943 6.01166 -22.2128 6.01168 1.93245 GPRESSAVG: 238600 28.4071 -13.665 -23.339 -12.5904 -25.8534 7.01951 -23.4136 6.42769 1.86769 TIMING: 238600 CPU: 751.065, 0.00313148/step Wall: 751.065, 0.00313149/step, 4.14174 hours remaining, 234.195312 MB of memory in use. ENERGY: 238600 4061.6999 20444.0852 14494.6497 247.0738 -203093.6610 2213.8024 0.0000 0.0000 51960.6380 -109671.7121 298.6185 -161632.3501 -109312.9572 298.4912 -79.3557 -47.7552 760778.3436 1.3445 1.4738 PRESSURE: 238800 -5.71797 -151.918 148.337 -151.92 -390.703 264.126 148.337 264.126 -254.657 GPRESSURE: 238800 30.1963 -152.45 136.498 -270.604 -382.723 228.031 121.904 333.083 -221.475 PRESSAVG: 238800 67.6116 -30.1358 -11.096 -30.1358 -47.7124 -30.3607 -11.096 -30.3606 1.73444 GPRESSAVG: 238800 68.2227 -29.1954 -11.3862 -31.1652 -49.3314 -32.2885 -9.29459 -29.1323 2.36955 TIMING: 238800 CPU: 751.688, 0.00311539/step Wall: 751.688, 0.00311539/step, 4.12028 hours remaining, 234.195312 MB of memory in use. ENERGY: 238800 4017.4981 20471.2926 14495.6003 249.6134 -203035.5115 2427.1760 0.0000 0.0000 51906.6295 -109467.7016 298.3081 -161374.3311 -109094.7259 298.9852 -217.0259 -191.3337 761573.5309 7.2112 7.0869 PRESSURE: 239000 39.6904 -183.849 -60.5749 -183.849 -102.628 -287.349 -60.5748 -287.35 -219.208 GPRESSURE: 239000 102.429 -132.345 -16.6999 -193.561 -114.082 -260.956 -158.037 -274.851 -177.919 PRESSAVG: 239000 -22.8105 -46.4677 39.6374 -46.4677 -16.5466 43.2202 39.6374 43.2202 7.16513 GPRESSAVG: 239000 -23.7568 -46.3272 39.9094 -48.4314 -14.6341 44.6772 40.3728 41.6106 5.76357 TIMING: 239000 CPU: 752.312, 0.00311711/step Wall: 752.312, 0.00311711/step, 4.12238 hours remaining, 234.195312 MB of memory in use. ENERGY: 239000 3940.3994 20532.4720 14465.7175 239.6955 -203149.2146 2353.4697 0.0000 0.0000 52162.9258 -109454.5347 299.7811 -161617.4605 -109085.0927 299.1393 -94.0487 -63.1910 762873.2591 -10.7307 -10.8758 PRESSURE: 239200 -61.5873 -79.3595 46.1545 -79.3606 -14.7898 -123.347 46.1535 -123.347 -203.405 GPRESSURE: 239200 -6.16334 -70.3445 20.6868 -22.6297 47.8161 -159.837 65.7051 -243.323 -249.247 PRESSAVG: 239200 9.45839 5.67273 10.2141 5.6727 -42.9321 4.42538 10.2142 4.42545 -11.059 GPRESSAVG: 239200 10.392 3.69224 11.4649 8.77128 -44.1702 4.53212 8.57377 5.89829 -11.0822 TIMING: 239200 CPU: 752.938, 0.00313275/step Wall: 752.938, 0.00313275/step, 4.14289 hours remaining, 234.195312 MB of memory in use. ENERGY: 239200 3940.8343 20393.3710 14423.3364 247.2000 -203390.1133 2738.1271 0.0000 0.0000 52464.2709 -109182.9736 301.5129 -161647.2445 -108818.4365 299.2456 -93.2607 -69.1981 762111.3301 -14.8443 -14.9535 PRESSURE: 239400 -61.856 25.4188 -342.733 25.4189 229.805 26.966 -342.734 26.9662 -139.564 GPRESSURE: 239400 -101.872 -5.41325 -309.446 7.17454 267.508 40.1623 -301.901 -4.71509 -58.1663 PRESSAVG: 239400 7.32364 -14.9839 -24.2262 -14.984 -3.59548 54.7998 -24.2262 54.7997 -4.13628 GPRESSAVG: 239400 5.95339 -13.9257 -25.4933 -16.2959 -2.69778 55.2445 -22.6676 53.7028 -3.16473 TIMING: 239400 CPU: 753.564, 0.00312583/step Wall: 753.564, 0.00312583/step, 4.13356 hours remaining, 234.195312 MB of memory in use. ENERGY: 239400 3959.2918 20640.1529 14488.6184 249.4637 -203420.2788 2507.4039 0.0000 0.0000 52446.0614 -109129.2866 301.4082 -161575.3480 -108762.2551 300.0570 9.4616 35.8233 761055.1817 -0.1360 0.0303 PRESSURE: 239600 -145.816 -51.8792 -0.199327 -51.8792 -146.248 148.003 -0.199517 148.003 -36.1452 GPRESSURE: 239600 -144.414 -77.4059 -13.0692 -86.1559 -82.5557 112.626 52.9301 147.812 -20.5025 PRESSAVG: 239600 6.96321 -19.7991 -71.7736 -19.7991 -22.1666 56.1489 -71.7737 56.1488 -14.9367 GPRESSAVG: 239600 7.37623 -21.2036 -71.2869 -20.3694 -22.4315 54.9168 -72.2626 54.9712 -14.9336 TIMING: 239600 CPU: 754.189, 0.00312552/step Wall: 754.189, 0.00312552/step, 4.13299 hours remaining, 234.195312 MB of memory in use. ENERGY: 239600 3923.3605 20532.7753 14532.3300 250.7011 -203311.6070 2497.5826 0.0000 0.0000 52123.1061 -109451.7513 299.5522 -161574.8573 -109088.8248 299.7713 -109.4032 -82.4907 762197.4998 -10.0467 -9.9963 PRESSURE: 239800 210.588 -111.259 246.083 -111.259 -155.387 -264.759 246.082 -264.76 -134.705 GPRESSURE: 239800 191.194 -32.1931 276.936 22.9024 -44.1363 -248.95 315.552 -233.564 -140.719 PRESSAVG: 239800 -6.06839 -16.1867 -13.2505 -16.1866 -18.1178 5.11526 -13.2504 5.11521 -4.14303 GPRESSAVG: 239800 -6.2033 -13.6285 -13.1813 -15.6296 -17.358 4.8607 -14.035 6.36668 -4.95204 TIMING: 239800 CPU: 754.815, 0.00313347/step Wall: 754.815, 0.00313347/step, 4.14332 hours remaining, 234.195312 MB of memory in use. ENERGY: 239800 4053.8531 20494.5190 14523.4301 269.7504 -203356.4854 2495.1717 0.0000 0.0000 52270.5295 -109249.2316 300.3995 -161519.7610 -108884.2819 299.4107 -26.5013 2.1127 761854.3103 -9.4431 -9.5045 PRESSURE: 240000 -143.331 91.7995 -3.5836 91.7989 -306.467 139.039 -3.58346 139.039 -118.978 GPRESSURE: 240000 -71.9394 -22.8943 -48.8081 130.099 -243.16 92.3507 35.145 273.004 -160.053 PRESSAVG: 240000 34.601 -53.0489 -23.8881 -53.0489 -25.6169 34.4386 -23.8881 34.4385 7.83541 GPRESSAVG: 240000 35.4136 -54.3814 -22.2275 -53.1311 -27.6272 34.8862 -24.5614 35.0803 8.59138 TIMING: 240000 CPU: 755.44, 0.00312529/step Wall: 755.44, 0.00312529/step, 4.13233 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: 240000 4076.4037 20486.2651 14452.4115 242.2184 -202783.4269 2251.8602 0.0000 0.0000 52299.0513 -108975.2167 300.5634 -161274.2680 -108610.0263 299.7196 -189.5922 -158.3838 761077.9412 5.6065 5.4592 PRESSURE: 240200 55.5559 -53.7422 -239.152 -53.7419 77.4928 -63.4728 -239.152 -63.4727 -449.374 GPRESSURE: 240200 72.3162 -124.72 -224.927 -141.161 87.7314 -121.729 -192.162 101.031 -401.886 PRESSAVG: 240200 33.6966 -25.8335 -6.45317 -25.8336 -50.0245 23.0836 -6.4532 23.0837 9.74193 GPRESSAVG: 240200 32.7086 -25.6393 -8.65767 -26.8458 -49.9089 22.9505 -2.76594 23.1236 9.85865 TIMING: 240200 CPU: 756.064, 0.00311879/step Wall: 756.064, 0.00311879/step, 4.12357 hours remaining, 234.195312 MB of memory in use. ENERGY: 240200 4067.1559 20672.1962 14467.4138 233.6738 -202600.8823 2132.9578 0.0000 0.0000 52190.7392 -108836.7456 299.9409 -161027.4848 -108480.2400 300.3340 -105.4417 -80.6126 761086.9964 -2.1953 -2.4472 LDB: ============= START OF LOAD BALANCING ============== 768.512 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 768.512 LDB: =============== DONE WITH MIGRATION ================ 768.513 LDB: ============= START OF LOAD BALANCING ============== 768.823 LDB: Largest compute 7060 load 0.034968 is 17.9% of average load 0.194857 LDB: Average compute 0.004392 is 2.3% of average load 0.194857 LDB: TIME 768.826 LOAD: AVG 0.194857 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.969 MB LDB: TIME 768.827 LOAD: AVG 0.194857 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: TIME 768.827 LOAD: AVG 0.194857 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.168 MB LDB: ============== END OF LOAD BALANCING =============== 768.829 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 768.833 PRESSURE: 240400 85.4821 -223.774 -54.7739 -223.774 -140.953 -45.9367 -54.7738 -45.9363 100.403 GPRESSURE: 240400 164.08 -128.859 21.6948 -227.362 -78.3097 1.5229 -108.736 -4.19048 39.9075 PRESSAVG: 240400 20.5607 -89.9067 1.44833 -89.9066 -20.2696 1.73771 1.44835 1.73776 10.7486 GPRESSAVG: 240400 21.1414 -91.2971 2.49456 -87.7959 -19.969 2.02649 -0.815888 2.44747 9.71249 TIMING: 240400 CPU: 756.698, 0.00316735/step Wall: 756.698, 0.00316735/step, 4.18759 hours remaining, 235.539062 MB of memory in use. ENERGY: 240400 3989.1577 20526.8355 14443.9732 248.1832 -202624.7011 2393.0029 0.0000 0.0000 52138.1152 -108885.4334 299.6385 -161023.5486 -108517.4425 299.8481 14.9776 41.8926 761409.3519 3.6799 3.6283 PRESSURE: 240600 190.57 -70.6514 2.77128 -70.6515 185.496 90.515 2.7713 90.515 -114.286 GPRESSURE: 240600 204.328 -7.39679 -19.9705 -96.9532 191.525 27.762 -59.6244 4.95176 -55.8092 PRESSAVG: 240600 57.7244 -59.2252 9.13623 -59.2253 28.785 -1.29544 9.13624 -1.29545 2.26959 GPRESSAVG: 240600 59.1033 -57.6495 9.01101 -60.226 28.0821 -1.14213 8.23431 -1.43768 1.39368 TIMING: 240600 CPU: 757.32, 0.00311377/step Wall: 757.32, 0.00311377/step, 4.11658 hours remaining, 235.539062 MB of memory in use. ENERGY: 240600 3981.4404 20595.3108 14408.9300 230.7997 -203107.4697 2597.5718 0.0000 0.0000 52277.9789 -109015.4381 300.4423 -161293.4169 -108648.7412 300.3799 87.2596 113.3479 761766.7808 29.5930 29.5264 PRESSURE: 240800 26.363 -181.012 12.6757 -181.012 138.737 53.1077 12.6754 53.108 -165.22 GPRESSURE: 240800 115.434 -164.262 -85.1914 -231.246 148.763 39.0148 -85.6847 -5.09605 -177.64 PRESSAVG: 240800 21.8412 -31.6125 14.3569 -31.6125 -14.222 6.95646 14.3569 6.95635 -13.0586 GPRESSAVG: 240800 21.0749 -32.3778 12.9173 -29.9538 -14.9264 5.58627 14.7103 5.52934 -11.6997 TIMING: 240800 CPU: 757.945, 0.00312225/step Wall: 757.945, 0.00312225/step, 4.12761 hours remaining, 235.539062 MB of memory in use. ENERGY: 240800 4005.4947 20550.5062 14418.9591 253.7133 -202784.3616 2390.7387 0.0000 0.0000 52066.3682 -109098.5815 299.2261 -161164.9496 -108741.5756 299.9258 -0.0402 28.8522 760029.0296 -1.8131 -1.8504 PRESSURE: 241000 118.869 68.9827 91.9807 68.9825 269.111 26.2226 91.9805 26.2224 -57.7114 GPRESSURE: 241000 131.988 -107.594 92.8852 42.9872 309.041 22.1552 130.884 -12.4246 -23.2807 PRESSAVG: 241000 15.7023 16.2895 -21.0781 16.2895 -79.2118 6.14505 -21.078 6.14512 -5.33649 GPRESSAVG: 241000 15.5358 17.6789 -19.5085 14.2242 -78.6487 7.82445 -21.2838 5.31053 -6.07978 TIMING: 241000 CPU: 758.567, 0.00311087/step Wall: 758.567, 0.00311087/step, 4.11239 hours remaining, 235.539062 MB of memory in use. ENERGY: 241000 3907.1755 20440.8334 14491.5016 251.4041 -203424.9198 2868.8080 0.0000 0.0000 52312.5545 -109152.6426 300.6410 -161465.1971 -108788.5061 299.8873 110.0897 139.2496 760785.5836 -22.9487 -23.0642 PRESSURE: 241200 -118.492 -106.806 46.0134 -106.806 -467.081 265.379 46.0134 265.379 -560.333 GPRESSURE: 241200 -43.734 -121.226 34.9374 -263.319 -484.562 334.219 3.68533 241.757 -523.007 PRESSAVG: 241200 24.3665 -64.0375 29.8106 -64.0375 -9.25679 41.8411 29.8107 41.8412 -35.9638 GPRESSAVG: 241200 24.7537 -63.8055 30.0687 -64.4881 -9.67211 42.5389 29.7843 42.2214 -35.4151 TIMING: 241200 CPU: 759.188, 0.00310577/step Wall: 759.188, 0.00310577/step, 4.10548 hours remaining, 235.539062 MB of memory in use. ENERGY: 241200 4005.2216 20383.9096 14487.8772 253.8226 -203101.9931 2550.2796 0.0000 0.0000 52176.1076 -109244.7748 299.8568 -161420.8824 -108894.5012 299.7237 -381.9688 -350.4345 760432.9845 -6.9514 -6.7778 PRESSURE: 241400 -65.9184 187.64 34.382 187.639 272.879 225.197 34.3822 225.197 330.79 GPRESSURE: 241400 11.7641 363.82 94.4085 141.779 186.884 218.215 25.1509 229.472 423.755 PRESSAVG: 241400 12.3323 -30.668 34.1324 -30.6679 58.8674 70.3204 34.1324 70.3204 9.93895 GPRESSAVG: 241400 10.7487 -29.9076 31.9833 -29.5754 59.4408 68.9567 34.6962 70.7987 10.0608 TIMING: 241400 CPU: 759.814, 0.00313134/step Wall: 759.814, 0.00313134/step, 4.1391 hours remaining, 235.539062 MB of memory in use. ENERGY: 241400 4023.2866 20579.8966 14401.1592 248.2742 -202911.3756 2680.3896 0.0000 0.0000 51919.9737 -109058.3957 298.3848 -160978.3694 -108705.3825 299.3927 179.2504 207.4677 762235.6857 27.0462 26.7501 PRESSURE: 241600 61.2775 131.434 -181.396 131.434 36.5837 163.067 -181.395 163.067 208.855 GPRESSURE: 241600 74.1845 115.233 -241.515 106.11 205.126 149.11 -140.711 72.1555 118.921 PRESSAVG: 241600 14.2919 -17.7011 24.7775 -17.7011 -0.165695 30.4328 24.7775 30.4329 16.357 GPRESSAVG: 241600 13.3462 -17.6885 25.3977 -16.7338 1.39824 32.2656 25.7133 27.8603 15.9529 TIMING: 241600 CPU: 760.441, 0.00313277/step Wall: 760.441, 0.00313277/step, 4.14082 hours remaining, 235.539062 MB of memory in use. ENERGY: 241600 4001.5765 20388.5718 14534.0312 229.4658 -202910.8785 2542.1102 0.0000 0.0000 52280.0065 -108935.1163 300.4539 -161215.1228 -108570.0290 299.5549 102.2389 132.7440 760689.5100 10.1611 10.2324 PRESSURE: 241800 -80.9636 -115.222 52.3008 -115.222 -144.959 -82.6509 52.3012 -82.6511 54.849 GPRESSURE: 241800 49.4412 -137.998 102.045 -116.176 -113.615 39.7555 132.308 -194.323 -36.463 PRESSAVG: 241800 -28.9329 -1.91006 1.47887 -1.9101 40.3755 -13.5046 1.47885 -13.5047 16.4012 GPRESSAVG: 241800 -28.3672 -3.19831 1.16547 -2.48865 38.6567 -14.4361 0.435565 -13.7363 17.7692 TIMING: 241800 CPU: 761.063, 0.00311078/step Wall: 761.063, 0.00311078/step, 4.11158 hours remaining, 235.539062 MB of memory in use. ENERGY: 241800 3988.2098 20354.8034 14495.5702 248.2145 -202963.4768 2712.0706 0.0000 0.0000 52159.1486 -109005.4597 299.7593 -161164.6083 -108647.0749 299.7487 -57.0245 -33.5457 762084.6281 9.2813 9.3529 PRESSURE: 242000 -79.6163 34.5382 -337.954 34.5386 -341.679 66.4773 -337.954 66.478 209.556 GPRESSURE: 242000 -121.854 95.81 -333.149 -22.3163 -195.677 74.7959 -241.558 -38.4079 190.96 PRESSAVG: 242000 -26.9667 -8.99372 52.2321 -8.99369 28.9781 7.74284 52.232 7.7428 6.32716 GPRESSAVG: 242000 -25.6699 -9.24336 52.5849 -10.2067 30.131 6.13305 52.4141 9.11178 4.50682 TIMING: 242000 CPU: 761.688, 0.00312518/step Wall: 761.688, 0.00312518/step, 4.13044 hours remaining, 235.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 242000 4044.7423 20560.0364 14546.0262 259.0486 -202766.7243 2124.2835 0.0000 0.0000 52312.5009 -108920.0864 300.6407 -161232.5872 -108557.2821 300.0671 -70.5798 -42.1905 761459.7344 2.7795 2.9893 PRESSURE: 242200 78.6683 25.8105 45.8412 25.811 -268.441 -16.0721 45.8399 -16.0715 220.127 GPRESSURE: 242200 113.01 78.7623 73.0335 28.2679 -207.041 22.704 -6.47111 59.1772 213.204 PRESSAVG: 242200 -53.0216 -65.65 36.5957 -65.65 20.3121 -3.18225 36.5957 -3.18223 -10.3075 GPRESSAVG: 242200 -54.7054 -64.0583 36.932 -66.8487 21.6938 -2.92498 35.6176 -2.62578 -10.1097 TIMING: 242200 CPU: 762.315, 0.00313286/step Wall: 762.315, 0.00313286/step, 4.14042 hours remaining, 235.539062 MB of memory in use. ENERGY: 242200 4056.5475 20306.2590 14512.5294 239.8390 -202903.5454 2263.5329 0.0000 0.0000 52472.6308 -109052.2068 301.5609 -161524.8376 -108684.1022 300.5075 10.1180 39.7243 762446.8548 -14.3390 -14.3738 PRESSURE: 242400 54.9429 125 -70.2752 124.999 -217.562 139.491 -70.2755 139.493 -103.661 GPRESSURE: 242400 160.994 171.283 -46.2762 123.715 -172.117 42.9203 59.5669 54.9881 -137.318 PRESSAVG: 242400 25.6018 7.65612 6.62685 7.65619 -22.3706 58.4242 6.62689 58.4242 -12.4875 GPRESSAVG: 242400 26.9334 6.87511 5.0416 8.86236 -25.1198 58.386 5.96317 57.8584 -10.6413 TIMING: 242400 CPU: 762.939, 0.00311945/step Wall: 762.939, 0.00311945/step, 4.12252 hours remaining, 235.539062 MB of memory in use. ENERGY: 242400 3972.5100 20616.3114 14477.1525 257.1073 -203010.6157 2383.4555 0.0000 0.0000 52150.2099 -109153.8691 299.7080 -161304.0790 -108789.7771 299.8075 -88.7603 -49.4803 759516.4348 -3.0854 -2.9426 PRESSURE: 242600 -169.696 61.1343 169.022 61.1334 -248.586 158.954 169.022 158.953 7.31566 GPRESSURE: 242600 -141.078 139.075 169.504 -79.6607 -178.154 115.083 -10.285 183.27 2.78554 PRESSAVG: 242600 22.8244 -56.9893 41.5988 -56.9893 -35.2053 -12.2486 41.5987 -12.2486 1.513 GPRESSAVG: 242600 22.8044 -57.3008 42.2187 -57.4309 -34.1893 -11.2792 41.9683 -11.8373 1.14932 TIMING: 242600 CPU: 763.564, 0.00312483/step Wall: 763.564, 0.00312483/step, 4.12946 hours remaining, 235.539062 MB of memory in use. ENERGY: 242600 3984.8432 20564.9685 14395.5722 231.8203 -202745.3769 2065.2695 0.0000 0.0000 52187.7545 -109315.1487 299.9237 -161502.9032 -108949.1334 299.7006 -136.9888 -105.4821 761243.6260 -3.6226 -3.4119 PRESSURE: 242800 -335.412 320.685 88.8509 320.685 -203.65 -4.61859 88.8507 -4.61836 32.4996 GPRESSURE: 242800 -370.396 377.723 68.2615 258.302 -121.434 71.04 -9.51082 4.69453 61.3697 PRESSAVG: 242800 39.8126 -31.4932 -26.794 -31.4932 -4.90481 22.1369 -26.794 22.137 -11.112 GPRESSAVG: 242800 39.4949 -30.9539 -25.4416 -32.4199 -5.63138 22.7781 -25.6376 21.7622 -10.9063 TIMING: 242800 CPU: 764.19, 0.00312942/step Wall: 764.19, 0.00312942/step, 4.13536 hours remaining, 235.539062 MB of memory in use. ENERGY: 242800 4043.2737 20433.3984 14557.9775 244.4493 -203312.3375 2515.9423 0.0000 0.0000 52218.5862 -109298.7101 300.1009 -161517.2963 -108929.3630 299.6559 -168.8543 -143.4870 762159.5516 7.9319 7.6524 PRESSURE: 243000 -41.8329 -51.9185 -124.55 -51.9185 -160.893 61.8319 -124.551 61.8333 30.5448 GPRESSURE: 243000 -31.7784 28.0636 -119.999 -37.2848 -137 56.3949 186.738 13.2213 85.9204 PRESSAVG: 243000 47.1772 -27.4171 -80.9227 -27.4171 -10.5392 -0.936219 -80.9228 -0.936177 12.0379 GPRESSAVG: 243000 48.2798 -27.6251 -82.1912 -26.9003 -11.4365 -2.16541 -77.6244 0.601448 11.7651 TIMING: 243000 CPU: 764.817, 0.00313733/step Wall: 764.817, 0.00313733/step, 4.14563 hours remaining, 235.539062 MB of memory in use. ENERGY: 243000 3939.6462 20652.6845 14489.7352 253.0751 -203415.2074 2659.3484 0.0000 0.0000 52045.7591 -109374.9589 299.1077 -161420.7180 -109023.4531 299.3382 -57.3937 -27.6194 762256.3494 16.2253 16.2028 PRESSURE: 243200 194.311 96.44 -223.425 96.4407 -209.671 -135.401 -223.426 -135.402 146.699 GPRESSURE: 243200 202.117 43.3542 -173.235 85.9471 -169.567 -143.196 -248.02 -218.819 189.748 PRESSAVG: 243200 -11.173 -11.7284 -55.107 -11.7285 -11.9839 66.0428 -55.107 66.0429 -12.1418 GPRESSAVG: 243200 -11.9311 -11.2471 -54.5332 -10.9892 -10.7944 67.2509 -57.5814 64.073 -12.1651 TIMING: 243200 CPU: 765.447, 0.00314991/step Wall: 765.447, 0.00314991/step, 4.16208 hours remaining, 235.539062 MB of memory in use. ENERGY: 243200 4019.2145 20263.3246 14536.4267 252.2055 -203258.3780 2607.3488 0.0000 0.0000 52205.0406 -109374.8172 300.0231 -161579.8578 -109008.0090 298.8457 43.7795 74.0992 761620.2131 -11.7662 -11.6302 PRESSURE: 243400 -92.2235 -11.385 13.5385 -11.3851 -123.239 -47.6684 13.5379 -47.6684 277.822 GPRESSURE: 243400 21.6991 -89.3343 -22.1026 -4.25372 -154.746 -52.7104 -53.7275 117.964 291.11 PRESSAVG: 243400 13.348 -45.5886 -38.3812 -45.5886 -26.5396 11.0592 -38.3812 11.0591 34.9862 GPRESSAVG: 243400 13.5267 -46.7112 -38.8722 -45.7166 -27.2571 9.79735 -38.0741 11.9739 35.0011 TIMING: 243400 CPU: 766.072, 0.00312294/step Wall: 766.072, 0.00312294/step, 4.12627 hours remaining, 235.539062 MB of memory in use. ENERGY: 243400 3969.2091 20543.0939 14551.9475 268.2337 -203286.7114 2530.1230 0.0000 0.0000 52064.2625 -109359.8416 299.2140 -161424.1042 -109010.5681 298.9336 20.7866 52.6877 760549.8502 7.2649 7.0902 PRESSURE: 243600 100.935 -150.98 6.99338 -150.98 -451.816 229.991 6.99334 229.992 -90.9528 GPRESSURE: 243600 167.38 -195.565 13.1137 -156.662 -388.619 243.949 -51.0719 82.8013 -106.387 PRESSAVG: 243600 -47.2075 -52.9029 -73.0302 -52.9029 36.9022 -3.77173 -73.0303 -3.77167 14.682 GPRESSAVG: 243600 -47.6418 -50.3779 -71.6899 -53.7278 37.3207 -4.00792 -74.2284 -4.78566 14.4764 TIMING: 243600 CPU: 766.695, 0.00311655/step Wall: 766.695, 0.00311655/step, 4.11765 hours remaining, 235.539062 MB of memory in use. ENERGY: 243600 4030.5626 20370.0537 14514.1004 254.2672 -203368.8696 2593.7650 0.0000 0.0000 52122.4015 -109483.7190 299.5482 -161606.1205 -109117.9637 299.5408 -147.2779 -109.2085 761033.2321 1.4589 1.3851 PRESSURE: 243800 -87.6776 84.7277 1.2208 84.7275 319.431 166.946 1.22059 166.946 130.741 GPRESSURE: 243800 -35.1669 -18.2282 -29.3584 0.247822 393.355 140.219 -109.501 204.98 70.1254 PRESSAVG: 243800 -56.2978 -23.4016 11.0287 -23.4015 75.1352 42.8549 11.0287 42.8548 -16.3457 GPRESSAVG: 243800 -56.6104 -25.6357 11.0607 -21.8716 75.2266 42.0856 10.6509 41.1791 -15.6723 TIMING: 243800 CPU: 767.322, 0.00313384/step Wall: 767.322, 0.00313384/step, 4.14032 hours remaining, 235.539062 MB of memory in use. ENERGY: 243800 4035.9307 20451.4729 14462.6247 242.9298 -203837.3983 2992.5702 0.0000 0.0000 52085.2788 -109566.5912 299.3348 -161651.8700 -109210.2445 298.8380 120.8315 142.7710 759864.7702 0.8306 0.9813 PRESSURE: 244000 67.4577 -224.394 -299.114 -224.394 -326.793 -343.438 -299.114 -343.439 -96.5262 GPRESSURE: 244000 72.5112 -137.326 -324.446 -284.584 -156.287 -427.862 -228.692 -155.865 -191.369 PRESSAVG: 244000 26.496 -39.2952 -48.8405 -39.2951 -61.9895 41.2424 -48.8405 41.2423 -3.24246 GPRESSAVG: 244000 26.4908 -38.7444 -50.0341 -40.4068 -61.4528 41.3057 -48.3185 44.9454 -4.25493 TIMING: 244000 CPU: 767.946, 0.00312022/step Wall: 767.946, 0.00312022/step, 4.12215 hours remaining, 235.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 244000 4068.2763 20480.1102 14496.9753 261.5973 -203000.9015 2376.0117 0.0000 0.0000 51845.2868 -109472.6438 297.9556 -161317.9307 -109123.1908 299.0372 -118.6204 -91.7150 760635.2822 -12.9120 -13.0723 PRESSURE: 244200 -301.189 -164.544 41.813 -164.545 -63.2802 -47.9195 41.8135 -47.9192 -265.786 GPRESSURE: 244200 -258.978 -12.5382 67.1645 -75.2483 -52.9296 -58.9987 -70.097 -44.2905 -251.403 PRESSAVG: 244200 14.1233 -59.3221 -63.8686 -59.3221 12.5917 -46.2937 -63.8685 -46.2937 -20.4647 GPRESSAVG: 244200 13.3757 -59.6766 -63.358 -57.8625 13.7501 -46.2807 -63.6006 -44.209 -20.744 TIMING: 244200 CPU: 768.575, 0.00314812/step Wall: 768.575, 0.00314812/step, 4.15885 hours remaining, 235.539062 MB of memory in use. ENERGY: 244200 4107.4010 20552.1179 14475.4444 227.0624 -203392.9792 2507.7505 0.0000 0.0000 52097.7272 -109425.4758 299.4064 -161523.2030 -109068.1243 299.1476 -210.0848 -187.7700 759484.0635 2.0834 2.1273 LDB: ============= START OF LOAD BALANCING ============== 781.024 LDB: ============== END OF LOAD BALANCING =============== 781.025 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 781.026 LDB: ============= START OF LOAD BALANCING ============== 781.34 LDB: Largest compute 7076 load 0.034517 is 17.7% of average load 0.194820 LDB: Average compute 0.004407 is 2.3% of average load 0.194820 LDB: TIME 781.344 LOAD: AVG 0.19482 MAX 0.212001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.562 MB LDB: TIME 781.344 LOAD: AVG 0.19482 MAX 0.212001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: TIME 781.344 LOAD: AVG 0.19482 MAX 0.212001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: ============== END OF LOAD BALANCING =============== 781.346 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 781.351 PRESSURE: 244400 35.2954 -163.276 -200.004 -163.276 57.4726 -4.86732 -200.004 -4.86764 355.388 GPRESSURE: 244400 66.9063 -106.092 -201.413 -144.739 77.6481 66.3049 -103.694 -97.9257 380.508 PRESSAVG: 244400 -33.1821 -60.8502 2.27624 -60.8502 28.1014 -8.19908 2.27628 -8.19915 -0.233339 GPRESSAVG: 244400 -31.6212 -60.7312 2.00318 -62.2787 25.738 -7.7826 2.67027 -12.6049 0.459643 TIMING: 244400 CPU: 769.215, 0.00319801/step Wall: 769.215, 0.00319801/step, 4.22457 hours remaining, 235.101562 MB of memory in use. ENERGY: 244400 4069.3918 20412.3928 14461.1745 258.6864 -203210.6053 2468.3318 0.0000 0.0000 52261.9293 -109278.6987 300.3500 -161540.6280 -108925.4419 299.3157 149.3854 175.0206 759677.0028 -1.7714 -1.8078 PRESSURE: 244600 -233.915 133.887 11.9929 133.888 -267.796 -20.0877 11.9931 -20.0868 136.983 GPRESSURE: 244600 -288.611 154.103 -26.8119 213.125 -181.15 -42.0758 -17.7457 28.5901 185.725 PRESSAVG: 244600 -61.0587 -10.2086 5.2959 -10.2085 92.8543 40.7854 5.29597 40.7854 9.79911 GPRESSAVG: 244600 -61.9405 -10.997 6.00741 -8.24929 94.1221 41.4855 7.08799 41.7344 9.38012 TIMING: 244600 CPU: 769.841, 0.00313103/step Wall: 769.841, 0.00313103/step, 4.13592 hours remaining, 235.101562 MB of memory in use. ENERGY: 244600 3963.0780 20612.8175 14456.0250 253.7734 -203075.5247 2170.2241 0.0000 0.0000 52187.1479 -109432.4588 299.9203 -161619.6067 -109079.4378 299.5281 -121.5760 -94.6788 761072.4799 13.8649 13.8539 PRESSURE: 244800 -497.907 -102.002 -111.663 -102.003 352.821 137.663 -111.664 137.664 236.951 GPRESSURE: 244800 -310.505 -88.0916 -95.5663 -124.968 341.376 111.161 -132.455 211.79 138.008 PRESSAVG: 244800 -32.7858 -4.32604 -27.1824 -4.32602 27.2664 41.3996 -27.1825 41.3995 -10.1482 GPRESSAVG: 244800 -32.631 -3.87905 -25.9519 -4.32544 27.4118 41.0856 -30.3601 41.1642 -10.3126 TIMING: 244800 CPU: 770.466, 0.00312557/step Wall: 770.466, 0.00312556/step, 4.12852 hours remaining, 235.101562 MB of memory in use. ENERGY: 244800 4010.8608 20517.0466 14537.1903 244.6257 -203556.9496 2578.2897 0.0000 0.0000 52087.5228 -109581.4136 299.3477 -161668.9365 -109222.9197 299.2658 30.6219 56.2928 759905.1329 -5.2225 -5.1773 PRESSURE: 245000 -135.876 -2.15084 -216.768 -2.15062 -61.7513 -111.743 -216.767 -111.742 -50.1966 GPRESSURE: 245000 -41.6701 115.921 -214.7 80.1446 -95.8369 -240.119 -69.3826 -24.6248 -4.5846 PRESSAVG: 245000 -25.2289 -11.7216 -31.6663 -11.7216 19.0156 -40.9334 -31.6665 -40.9335 -2.69899 GPRESSAVG: 245000 -25.2258 -11.5219 -33.4619 -10.4884 19.575 -40.1688 -29.7857 -40.5654 -2.82865 TIMING: 245000 CPU: 771.09, 0.00311927/step Wall: 771.09, 0.00311927/step, 4.12003 hours remaining, 235.101562 MB of memory in use. ENERGY: 245000 3896.0399 20561.8480 14461.5024 259.7814 -203488.4058 2614.6524 0.0000 0.0000 52116.8323 -109577.7495 299.5162 -161694.5818 -109213.2999 299.2460 -82.6081 -47.3639 759406.7356 -2.9708 -2.8265 PRESSURE: 245200 -268.274 62.5155 -28.216 62.5153 -124.447 -343.319 -28.2161 -343.319 133.253 GPRESSURE: 245200 30.7406 75.6884 -30.4595 56.9242 -201.675 -382.605 -132.369 -58.2621 3.10213 PRESSAVG: 245200 -11.6479 -32.4661 -39.9388 -32.4662 -1.59675 -85.251 -39.9388 -85.2511 32.1025 GPRESSAVG: 245200 -11.1971 -34.3725 -39.5259 -34.0052 -3.10001 -86.6493 -39.6767 -85.4675 32.8868 TIMING: 245200 CPU: 771.721, 0.00315523/step Wall: 771.721, 0.00315523/step, 4.16735 hours remaining, 235.101562 MB of memory in use. ENERGY: 245200 3979.1881 20478.1987 14504.5717 266.1146 -203706.5011 2517.0459 0.0000 0.0000 52240.8245 -109720.5577 300.2287 -161961.3822 -109352.5768 299.0687 -86.4893 -55.9441 760276.8141 6.2860 6.1966 PRESSURE: 245400 -184.709 -192.603 50.7997 -192.604 -259.726 -94.3938 50.8005 -94.3948 -152.498 GPRESSURE: 245400 -209.57 -158.771 40.5312 -187.446 -159.795 -106.2 117.281 -166.558 -151.842 PRESSAVG: 245400 -71.6559 -48.5672 13.1667 -48.5673 45.2333 -16.5855 13.1667 -16.5856 -7.035 GPRESSAVG: 245400 -72.2885 -48.2357 12.9871 -48.6577 46.1556 -17.3401 14.463 -15.5798 -7.64714 TIMING: 245400 CPU: 772.346, 0.00312622/step Wall: 772.346, 0.00312622/step, 4.12887 hours remaining, 235.101562 MB of memory in use. ENERGY: 245400 4054.5131 20431.6738 14488.2466 239.0440 -203346.9067 2513.3160 0.0000 0.0000 52226.9258 -109393.1873 300.1489 -161620.1131 -109023.5648 299.3477 -198.9773 -173.7359 760763.6426 -11.1525 -11.2600 PRESSURE: 245600 125.375 5.07022 54.517 5.06954 -12.7775 109.036 54.5158 109.037 -75.3912 GPRESSURE: 245600 164.856 82.1774 12.6374 -67.5798 4.29506 184.377 50.201 132.047 -52.0011 PRESSAVG: 245600 -42.4767 13.5309 -56.3261 13.5309 18.3354 -3.28784 -56.3261 -3.28785 10.0713 GPRESSAVG: 245600 -42.3869 16.9158 -55.5998 12.0972 17.1125 -1.18358 -59.2972 -4.35014 11.3318 TIMING: 245600 CPU: 772.97, 0.00311759/step Wall: 772.97, 0.00311759/step, 4.1173 hours remaining, 235.101562 MB of memory in use. ENERGY: 245600 3908.7384 20646.3136 14457.8726 235.6602 -202852.7936 2213.1767 0.0000 0.0000 52063.7327 -109327.2994 299.2110 -161391.0321 -108963.9571 299.5302 12.4021 39.0501 759355.3594 -4.6900 -4.6475 PRESSURE: 245800 -141.985 82.0896 -100.64 82.0893 -140.694 -218.804 -100.64 -218.805 -341.258 GPRESSURE: 245800 -140.928 49.8423 -118.712 73.2066 -184.884 -282.941 -198.633 -152.355 -225.553 PRESSAVG: 245800 -4.83093 12.0381 -52.1039 12.0381 -18.487 -2.97881 -52.1038 -2.9788 4.81167 GPRESSAVG: 245800 -5.19205 10.2075 -52.4939 13.9909 -17.6512 -3.25422 -51.0564 -4.09181 4.12616 TIMING: 245800 CPU: 773.596, 0.00312949/step Wall: 773.596, 0.00312949/step, 4.13284 hours remaining, 235.101562 MB of memory in use. ENERGY: 245800 4012.2950 20587.0058 14504.9722 238.1150 -203358.7977 2495.4325 0.0000 0.0000 51887.2700 -109633.7072 298.1969 -161520.9772 -109283.2786 299.0147 -207.9789 -183.7883 759589.1005 -6.1688 -6.2390 PRESSURE: 246000 167.714 172.806 77.6936 172.806 -218.615 331.835 77.6935 331.835 158.215 GPRESSURE: 246000 121.525 169.383 34.6108 121.627 -108.584 432.456 237.483 269.061 193.018 PRESSAVG: 246000 -28.0818 -34.6345 -7.9353 -34.6344 25.3576 34.1499 -7.93532 34.1498 7.03664 GPRESSAVG: 246000 -27.7966 -34.2938 -8.23889 -34.6161 25.5585 32.8723 -6.8587 34.7803 6.4013 TIMING: 246000 CPU: 774.224, 0.00314217/step Wall: 774.224, 0.00314217/step, 4.14941 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: 246000 3916.1514 20475.9228 14448.5169 240.9304 -203039.8248 2398.2503 0.0000 0.0000 51913.0634 -109646.9896 298.3451 -161560.0530 -109282.6201 298.4320 35.7716 68.6530 761244.2503 1.4375 1.3877 PRESSURE: 246200 269.456 -126.854 93.0382 -126.854 161.141 208.379 93.0378 208.379 338.662 GPRESSURE: 246200 326.052 -210.033 7.86639 -153.701 113.509 144.208 139.289 327.718 413.329 PRESSAVG: 246200 -0.473997 14.0452 27.8746 14.0452 0.2203 11.4187 27.8746 11.4187 11.4889 GPRESSAVG: 246200 -1.19651 15.6187 25.8018 11.45 -0.0320707 12.0683 29.2683 11.3554 12.8396 TIMING: 246200 CPU: 774.847, 0.00311213/step Wall: 774.847, 0.00311213/step, 4.10956 hours remaining, 235.101562 MB of memory in use. ENERGY: 246200 3962.6460 20473.5932 14436.0886 232.6783 -203564.7213 2706.1564 0.0000 0.0000 52179.8710 -109573.6879 299.8784 -161753.5588 -109208.7548 298.4598 256.4196 284.2964 760712.7411 3.7451 3.8704 PRESSURE: 246400 -29.0801 322.444 -179.488 322.444 -229.87 219.298 -179.489 219.297 479.099 GPRESSURE: 246400 -21.6695 140.445 -147.687 299.112 -133.597 123.353 -152.852 261.511 464.762 PRESSAVG: 246400 -41.3455 -34.8074 29.6218 -34.8074 12.4725 -15.9056 29.6218 -15.9057 -1.96563 GPRESSAVG: 246400 -40.8184 -38.9176 33.1296 -30.9987 11.9333 -15.7125 27.3915 -15.7867 -2.91395 TIMING: 246400 CPU: 775.474, 0.00313818/step Wall: 775.474, 0.00313818/step, 4.1438 hours remaining, 235.101562 MB of memory in use. ENERGY: 246400 3941.4499 20651.7135 14486.4976 256.1632 -203400.1691 2602.4100 0.0000 0.0000 52038.1136 -109423.8212 299.0638 -161461.9348 -109063.1104 299.0620 73.3831 103.1652 762407.4629 -10.2796 -10.5997 PRESSURE: 246600 -312.66 -1.32983 271.198 -1.3287 -92.4363 -280.658 271.198 -280.657 20.5787 GPRESSURE: 246600 -254.694 5.3884 270.828 -63.8886 -42.4172 -283.173 224.767 -261.347 -15.8396 PRESSAVG: 246600 4.06208 -27.8964 28.0202 -27.8964 21.7392 -39.378 28.0202 -39.378 10.3111 GPRESSAVG: 246600 3.49732 -25.8793 28.0336 -29.2068 22.0903 -38.9812 26.2403 -41.7541 10.2756 TIMING: 246600 CPU: 776.103, 0.00314231/step Wall: 776.103, 0.00314231/step, 4.14907 hours remaining, 235.101562 MB of memory in use. ENERGY: 246600 3962.1488 20502.2242 14458.3602 243.3869 -203207.3967 2587.0058 0.0000 0.0000 52108.9381 -109345.3327 299.4708 -161454.2708 -108978.9484 299.3211 -128.1727 -104.3168 762741.3646 12.0374 11.9544 PRESSURE: 246800 -125.873 -19.3941 -340.857 -19.3937 134.317 -370.787 -340.858 -370.786 60.9536 GPRESSURE: 246800 -103.955 77.3016 -327.264 -16.9461 57.5577 -251.288 -229.638 -372.947 193.87 PRESSAVG: 246800 -38.1214 -4.01476 -37.5694 -4.01469 11.4079 -17.7173 -37.5695 -17.7173 -26.8798 GPRESSAVG: 246800 -39.2412 -2.78069 -38.6939 -4.97442 11.9455 -17.9213 -34.9572 -14.468 -26.7156 TIMING: 246800 CPU: 776.73, 0.00313791/step Wall: 776.73, 0.00313791/step, 4.14309 hours remaining, 235.101562 MB of memory in use. ENERGY: 246800 3943.5560 20579.5015 14503.4768 243.0949 -202918.2786 2560.8415 0.0000 0.0000 51926.9802 -109160.8277 298.4251 -161087.8079 -108801.9969 299.6405 23.1322 49.1573 761315.8457 -17.8645 -18.0038 PRESSURE: 247000 -297.967 -117.638 211.482 -117.638 -373.054 74.7141 211.482 74.7145 -276.448 GPRESSURE: 247000 -190.255 -85.3713 264.349 -203.792 -412.385 68.045 139.086 14.7355 -271.517 PRESSAVG: 247000 -41.2655 -27.649 29.0055 -27.649 38.1492 -1.33158 29.0055 -1.33167 3.57788 GPRESSAVG: 247000 -40.6758 -25.8007 28.9686 -28.3417 37.2793 -2.28019 27.0872 -1.14612 4.37775 TIMING: 247000 CPU: 777.356, 0.00313004/step Wall: 777.356, 0.00313004/step, 4.13252 hours remaining, 235.101562 MB of memory in use. ENERGY: 247000 3980.0007 20536.3202 14467.2034 239.0536 -202868.9121 2266.6409 0.0000 0.0000 52255.8605 -109123.8329 300.3151 -161379.6933 -108748.4941 300.0725 -315.8231 -291.3857 761926.5619 0.1539 0.3271 PRESSURE: 247200 31.8054 232.337 141.359 232.337 -230.273 -158.023 141.36 -158.023 -303.969 GPRESSURE: 247200 85.7146 75.7121 61.5506 138.376 -189.641 -229.231 73.2366 -135.845 -320.496 PRESSAVG: 247200 -9.89971 -52.8885 3.64867 -52.8885 -10.987 -22.8391 3.64865 -22.8391 6.34685 GPRESSAVG: 247200 -9.27496 -56.2609 2.63443 -51.863 -10.1499 -20.6635 4.2674 -24.8625 5.16584 TIMING: 247200 CPU: 777.983, 0.00313573/step Wall: 777.983, 0.00313573/step, 4.13986 hours remaining, 235.101562 MB of memory in use. ENERGY: 247200 3993.3287 20680.2165 14482.0465 229.1619 -203299.4482 2546.9209 0.0000 0.0000 52049.3691 -109318.4044 299.1284 -161367.7736 -108954.1456 299.7009 -167.4790 -141.4742 762638.2089 -4.8466 -4.7530 PRESSURE: 247400 -436.359 -92.2033 244.823 -92.2048 -120.276 -166.482 244.823 -166.483 -252.794 GPRESSURE: 247400 -403.989 -216.021 221.97 -27.8181 -44.0447 -81.3217 280.423 -180.149 -267.21 PRESSAVG: 247400 -13.2 1.87318 -41.7052 1.87317 -40.8628 -18.732 -41.7052 -18.732 6.37258 GPRESSAVG: 247400 -14.026 0.330196 -40.4147 2.4661 -41.0883 -19.0505 -40.3746 -18.9519 7.16299 TIMING: 247400 CPU: 778.609, 0.00312755/step Wall: 778.609, 0.00312755/step, 4.12889 hours remaining, 235.101562 MB of memory in use. ENERGY: 247400 4022.5427 20620.9986 14509.3693 250.1418 -203235.5246 2439.7594 0.0000 0.0000 51928.3867 -109464.3262 298.4332 -161392.7129 -109109.1807 299.2105 -269.8096 -238.4148 762403.1133 -15.8967 -15.9837 PRESSURE: 247600 58.5821 -35.936 158.136 -35.9361 -53.1451 256.046 158.136 256.046 -517.196 GPRESSURE: 247600 53.5445 -58.8838 259.809 -51.7074 -18.4632 282.288 44.1051 177.243 -447.712 PRESSAVG: 247600 -1.31132 -64.2026 -17.2411 -64.2026 -4.86707 -49.8825 -17.2411 -49.8825 -1.06706 GPRESSAVG: 247600 -0.294221 -61.8149 -18.1282 -64.023 -6.10298 -50.7948 -19.6814 -49.2858 -0.276606 TIMING: 247600 CPU: 779.23, 0.00310486/step Wall: 779.23, 0.00310486/step, 4.09876 hours remaining, 235.101562 MB of memory in use. ENERGY: 247600 4076.7650 20552.7676 14542.3235 240.7707 -203410.3209 2635.7644 0.0000 0.0000 51962.4859 -109399.4440 298.6291 -161361.9298 -109056.7089 299.3524 -170.5864 -137.5435 762233.0802 -2.4151 -2.2246 PRESSURE: 247800 -135.622 -30.8914 -85.2235 -30.8913 136.856 -160.734 -85.2228 -160.734 -396.127 GPRESSURE: 247800 -120.276 -54.8762 -120.066 1.7131 222.823 -147.89 6.85968 -307.438 -404.785 PRESSAVG: 247800 13.5159 -37.8068 -21.932 -37.8068 7.87815 26.3138 -21.932 26.3138 4.61521 GPRESSAVG: 247800 13.2185 -37.8037 -22.3685 -39.2936 9.46878 27.9598 -19.2103 25.3461 3.28994 TIMING: 247800 CPU: 779.856, 0.00313077/step Wall: 779.856, 0.00313077/step, 4.13279 hours remaining, 235.101562 MB of memory in use. ENERGY: 247800 3965.7223 20730.3811 14514.8061 261.2332 -203279.2879 2468.9346 0.0000 0.0000 52056.8842 -109281.3264 299.1716 -161338.2106 -108918.0114 299.5694 -131.6312 -100.7463 761445.0614 8.6697 8.6591 PRESSURE: 248000 124.218 127.429 61.1817 127.429 63.116 125.193 61.1817 125.195 309.746 GPRESSURE: 248000 120.198 159.199 79.1758 109.253 137.367 76.9252 125.316 138.248 297.273 PRESSAVG: 248000 16.7518 -32.1195 -40.9052 -32.1195 13.1653 -4.8593 -40.9052 -4.85926 12.6297 GPRESSAVG: 248000 17.1058 -31.9994 -41.0956 -30.4324 12.5367 -7.81615 -41.2379 -1.20271 12.8897 TIMING: 248000 CPU: 780.482, 0.00312851/step Wall: 780.482, 0.00312851/step, 4.12964 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: 248000 4090.8568 20549.7316 14478.6034 242.0571 -203580.1881 2757.6832 0.0000 0.0000 52168.2775 -109292.9784 299.8118 -161461.2560 -108933.5928 299.3997 165.6933 184.9460 760804.3167 14.1823 14.1774 PRESSURE: 248200 159.569 -196.124 104.087 -196.123 -168.761 281.854 104.086 281.856 -282.742 GPRESSURE: 248200 162.407 -113.784 60.484 -211.175 -202.216 255.254 136.601 146.814 -153.102 PRESSAVG: 248200 4.4073 -21.5945 26.4329 -21.5946 2.7492 5.86287 26.433 5.86289 -0.461992 GPRESSAVG: 248200 4.03708 -21.9115 26.8419 -21.2916 2.89087 9.18515 25.8586 1.85249 0.315479 TIMING: 248200 CPU: 781.107, 0.00312671/step Wall: 781.107, 0.00312671/step, 4.12708 hours remaining, 235.101562 MB of memory in use. ENERGY: 248200 4079.6613 20552.1416 14459.7357 254.5074 -203475.2692 2685.6926 0.0000 0.0000 52108.2698 -109335.2608 299.4669 -161443.5307 -108977.8721 299.4880 -97.3112 -64.3037 760219.9140 2.2315 2.4145 LDB: ============= START OF LOAD BALANCING ============== 793.556 LDB: ============== END OF LOAD BALANCING =============== 793.557 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 793.558 LDB: ============= START OF LOAD BALANCING ============== 793.872 LDB: Largest compute 7057 load 0.033659 is 17.3% of average load 0.194911 LDB: Average compute 0.004371 is 2.2% of average load 0.194911 LDB: TIME 793.875 LOAD: AVG 0.194911 MAX 0.213465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.883 MB LDB: TIME 793.876 LOAD: AVG 0.194911 MAX 0.213465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.883 MB LDB: TIME 793.876 LOAD: AVG 0.194911 MAX 0.213465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.883 MB LDB: ============== END OF LOAD BALANCING =============== 793.878 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 793.882 PRESSURE: 248400 -56.8425 -145.713 103.238 -145.715 -169.344 -250.778 103.238 -250.778 111.899 GPRESSURE: 248400 -30.0186 -214.172 89.7736 -81.2216 -126.322 -287.052 85.1975 -112.537 122.058 PRESSAVG: 248400 32.4618 -7.1037 -34.9214 -7.10379 -32.5502 -29.5756 -34.9214 -29.5756 -7.40477 GPRESSAVG: 248400 33.1817 -5.76469 -33.8711 -7.49375 -32.1667 -30.1556 -34.1355 -28.8494 -8.29904 TIMING: 248400 CPU: 781.747, 0.00319762/step Wall: 781.747, 0.00319762/step, 4.2205 hours remaining, 235.812500 MB of memory in use. ENERGY: 248400 4003.0755 20575.8638 14513.4589 236.9608 -202969.1945 2242.8877 0.0000 0.0000 52152.3173 -109244.6306 299.7201 -161396.9479 -108869.3347 299.8061 -38.0959 -11.4273 762183.9916 -2.4977 -2.4280 PRESSURE: 248600 -124.96 77.8079 -75.6037 77.8069 6.12003 10.7091 -75.6048 10.7092 120.059 GPRESSURE: 248600 -182.041 -6.37852 22.5166 118.374 121.659 -17.581 -27.0641 56.3343 140.753 PRESSAVG: 248600 17.0549 -24.6423 9.04443 -24.6423 -45.2483 34.5079 9.04442 34.508 -12.2064 GPRESSAVG: 248600 15.8737 -25.2458 7.96181 -22.3598 -44.6215 34.3157 7.51744 36.5031 -11.8405 TIMING: 248600 CPU: 782.371, 0.0031215/step Wall: 782.371, 0.0031215/step, 4.11986 hours remaining, 236.015625 MB of memory in use. ENERGY: 248600 4052.2041 20697.2989 14427.1230 240.4150 -203466.6375 2687.7075 0.0000 0.0000 52288.0510 -109073.8381 300.5001 -161361.8891 -108715.7433 299.7338 0.4064 26.7903 760249.0326 -13.4666 -13.5294 PRESSURE: 248800 -227.571 -149.4 104.937 -149.401 -112.734 -117.076 104.938 -117.076 -142.76 GPRESSURE: 248800 -177.854 -163.417 118.383 -236.949 -0.639045 -177.063 133.88 -15.4389 -219.079 PRESSAVG: 248800 -63.0183 -46.871 -13.3382 -46.8711 72.0818 -58.3941 -13.3382 -58.3941 0.330816 GPRESSAVG: 248800 -62.2178 -47.4932 -13.7385 -48.3548 71.9082 -59.5064 -12.8748 -59.3982 -0.765501 TIMING: 248800 CPU: 782.996, 0.00312449/step Wall: 782.996, 0.00312449/step, 4.12363 hours remaining, 236.015625 MB of memory in use. ENERGY: 248800 3996.2413 20796.2923 14518.1584 244.6755 -203343.3432 2227.2701 0.0000 0.0000 52497.3130 -109063.3926 301.7028 -161560.7055 -108701.7886 300.7496 -161.0216 -132.5239 758398.8345 3.1314 2.9750 PRESSURE: 249000 -19.2496 -12.0835 -108.552 -12.0834 -191.767 -98.6935 -108.551 -98.6938 -314.93 GPRESSURE: 249000 -44.2399 -3.09969 -50.4675 -53.5866 -111.168 -117.142 -200.976 -117.566 -290.255 PRESSAVG: 249000 -58.4903 -25.604 41.0738 -25.604 50.7628 4.76543 41.0737 4.76545 -21.0479 GPRESSAVG: 249000 -58.9057 -24.5088 41.6044 -28.7772 51.3451 5.37018 40.9701 5.38726 -20.9464 TIMING: 249000 CPU: 783.62, 0.00312249/step Wall: 783.62, 0.00312249/step, 4.12082 hours remaining, 236.015625 MB of memory in use. ENERGY: 249000 3950.5042 20777.9767 14492.4711 246.8002 -202991.7641 2197.8401 0.0000 0.0000 52282.8770 -109043.2947 300.4704 -161326.1716 -108680.4312 300.7549 -175.3153 -148.5545 760401.3593 -9.5918 -9.5023 PRESSURE: 249200 192.852 -238.526 -45.3637 -238.526 460.725 110.008 -45.3643 110.008 103 GPRESSURE: 249200 186.889 -112.547 -120.692 -238.943 456.563 91.3136 -90.935 43.0791 163.028 PRESSAVG: 249200 -11.7642 -3.18695 37.451 -3.18687 33.633 0.581036 37.4511 0.58104 -7.73701 GPRESSAVG: 249200 -11.1584 -4.65852 37.5829 -0.928813 32.8989 0.897338 37.093 -0.427483 -6.81453 TIMING: 249200 CPU: 784.247, 0.00313244/step Wall: 784.247, 0.00313244/step, 4.13377 hours remaining, 236.015625 MB of memory in use. ENERGY: 249200 3996.8467 20706.4889 14466.9287 247.0073 -203105.0369 2663.6925 0.0000 0.0000 51975.4418 -109048.6310 298.7036 -161024.0728 -108684.7949 300.7352 252.1921 268.8264 761054.5615 4.7106 4.9753 PRESSURE: 249400 -46.7316 -27.8207 -73.9082 -27.8205 20.6456 -22.0238 -73.9086 -22.0243 45.6139 GPRESSURE: 249400 17.3756 -54.3749 -86.5041 -5.71223 -57.5053 95.2641 -55.0829 -34.7584 134.922 PRESSAVG: 249400 -8.22071 -40.8023 -7.73317 -40.8022 -8.88325 -25.9208 -7.73317 -25.9208 15.254 GPRESSAVG: 249400 -8.54459 -41.2265 -9.75082 -40.5452 -9.28283 -27.6298 -6.84271 -24.7599 15.8514 TIMING: 249400 CPU: 784.872, 0.00312793/step Wall: 784.872, 0.00312793/step, 4.12765 hours remaining, 236.015625 MB of memory in use. ENERGY: 249400 3969.8345 20642.7631 14518.8791 259.4296 -203094.4820 2415.5974 0.0000 0.0000 52151.1150 -109136.8633 299.7132 -161287.9782 -108765.3964 299.9519 6.5093 31.5975 760529.0181 -0.6166 -0.6587 PRESSURE: 249600 -258.61 151.221 14.327 151.222 -184.212 -34.8421 14.3273 -34.843 288.38 GPRESSURE: 249600 -169.842 148.925 13.6488 239.839 -137.24 -78.8269 -10.1627 -51.0383 247.137 PRESSAVG: 249600 37.5353 -58.556 32.5017 -58.5561 -5.59621 -3.62735 32.5018 -3.62726 -1.35542 GPRESSAVG: 249600 38.0418 -59.0546 34.3867 -57.3602 -5.32344 -2.86194 34.2554 -4.97468 -1.9006 TIMING: 249600 CPU: 785.498, 0.00312865/step Wall: 785.498, 0.00312865/step, 4.12843 hours remaining, 236.015625 MB of memory in use. ENERGY: 249600 4084.3116 20540.1522 14484.3432 245.4044 -202796.1121 2210.7316 0.0000 0.0000 52146.3687 -109084.8004 299.6859 -161231.1691 -108728.8179 300.0913 -51.4807 -19.9817 762001.0524 10.1945 10.2726 PRESSURE: 249800 97.5792 -99.2095 -14.9097 -99.2094 -383.369 172.78 -14.9086 172.779 -218.675 GPRESSURE: 249800 80.3592 -5.8176 -55.1315 -85.0408 -205.946 160.803 1.34924 169.613 -279.369 PRESSAVG: 249800 55.2389 -30.8691 -21.9417 -30.8692 -60.8212 9.69276 -21.9417 9.69268 -17.2945 GPRESSAVG: 249800 54.1896 -28.6213 -24.2967 -31.4981 -58.6106 11.3957 -23.3353 11.2411 -19.0984 TIMING: 249800 CPU: 786.123, 0.00312387/step Wall: 786.123, 0.00312387/step, 4.12194 hours remaining, 236.015625 MB of memory in use. ENERGY: 249800 4027.4636 20523.4197 14489.5073 241.1875 -202779.8894 2240.2561 0.0000 0.0000 52146.7932 -109111.2619 299.6883 -161258.0551 -108735.1626 299.6190 -168.1550 -134.9853 761859.7538 -7.6256 -7.8398 PRESSURE: 250000 -165.126 110.397 -77.0078 110.397 179.039 -100.527 -77.0068 -100.527 203.91 GPRESSURE: 250000 -103.54 101.431 -85.6001 111.24 149.363 -40.4064 11.8244 -222.494 258.548 PRESSAVG: 250000 -13.1566 -33.8916 -11.7073 -33.8916 -25.2406 19.0419 -11.7073 19.0419 3.19303 GPRESSAVG: 250000 -13.5588 -34.8837 -10.17 -35.5147 -27.3009 19.8652 -10.9134 16.5369 5.63152 TIMING: 250000 CPU: 786.751, 0.00314249/step Wall: 786.751, 0.00314249/step, 4.14634 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: 250000 4022.9129 20577.2613 14504.5422 243.4402 -203218.0988 2652.4063 0.0000 0.0000 52161.8720 -109055.6638 299.7750 -161217.5359 -108697.7200 299.8949 72.6074 101.4568 760882.1582 -11.7347 -11.7427 PRESSURE: 250200 5.37561 -312.559 66.3062 -312.558 -165.388 185.613 66.3058 185.614 128.025 GPRESSURE: 250200 27.8668 -349.767 -56.7054 -304.691 -98.6004 189.066 136.877 118.631 96.9194 PRESSAVG: 250200 25.8229 -46.8211 0.0414712 -46.821 -23.9627 -23.454 0.041438 -23.4539 23.5813 GPRESSAVG: 250200 26.3075 -45.3794 0.682132 -45.9061 -22.8446 -24.425 -1.74793 -22.5134 21.9066 TIMING: 250200 CPU: 787.384, 0.00316048/step Wall: 787.384, 0.00316048/step, 4.1699 hours remaining, 236.015625 MB of memory in use. ENERGY: 250200 4100.6674 20405.7667 14506.5854 249.1616 -202948.0499 2251.9345 0.0000 0.0000 52329.0907 -109104.8435 300.7360 -161433.9342 -108728.1768 299.9852 -10.6625 8.7286 761820.2330 8.4805 8.4565 PRESSURE: 250400 -87.8945 19.7829 -20.5764 19.7828 95.5853 -41.1815 -20.5759 -41.1814 507.52 GPRESSURE: 250400 58.4829 23.4968 -46.9102 -2.01996 70.5975 6.60607 99.8794 -2.40183 474.333 PRESSAVG: 250400 13.7114 -54.8335 -12.6824 -54.8335 -46.0053 -11.7317 -12.6823 -11.7317 10.72 GPRESSAVG: 250400 13.6324 -55.7662 -12.8604 -55.3088 -47.2391 -12.1936 -13.9021 -10.0391 11.6559 TIMING: 250400 CPU: 788.014, 0.00315383/step Wall: 788.014, 0.00315383/step, 4.16095 hours remaining, 236.015625 MB of memory in use. ENERGY: 250400 3947.0717 20559.6040 14524.3893 247.2817 -203464.4937 2702.9401 0.0000 0.0000 52178.3363 -109304.8707 299.8696 -161483.2070 -108948.2678 299.4337 171.7369 201.1380 761115.4028 -7.1913 -7.3169 PRESSURE: 250600 511.605 -24.1409 -161.4 -24.141 -126.943 -9.40524 -161.399 -9.40453 158.992 GPRESSURE: 250600 428.681 -30.3036 -164.755 -4.66342 33.0407 -43.4492 -135.765 -91.6338 138.336 PRESSAVG: 250600 23.1098 -35.9001 28.1699 -35.9 11.3206 -21.7612 28.1699 -21.7611 17.3371 GPRESSAVG: 250600 21.3587 -36.6733 28.8065 -35.4804 12.5662 -21.7902 29.4821 -22.2406 17.5147 TIMING: 250600 CPU: 788.645, 0.00315324/step Wall: 788.645, 0.00315324/step, 4.15999 hours remaining, 236.015625 MB of memory in use. ENERGY: 250600 4015.8963 20507.2510 14451.0990 257.1510 -203486.3352 2805.8160 0.0000 0.0000 51950.7000 -109498.4220 298.5614 -161449.1220 -109130.3442 299.4268 181.2177 200.0192 762224.1533 17.2558 17.1465 PRESSURE: 250800 -32.69 -89.7862 -14.0342 -89.7864 -221.958 -81.754 -14.0345 -81.7537 -494.128 GPRESSURE: 250800 -91.976 -107.471 -89.5986 -71.9138 -80.3147 -143.601 118.612 -171.483 -492.418 PRESSAVG: 250800 37.3989 -57.3761 42.8167 -57.376 -17.0386 10.0115 42.8167 10.0116 6.80995 GPRESSAVG: 250800 38.4254 -56.5688 40.5765 -58.1341 -17.064 8.38102 44.9755 9.08231 5.7105 TIMING: 250800 CPU: 789.275, 0.00314954/step Wall: 789.275, 0.00314954/step, 4.15494 hours remaining, 236.015625 MB of memory in use. ENERGY: 250800 4023.0242 20632.0354 14450.6055 238.8631 -203430.0751 2605.5141 0.0000 0.0000 51954.2871 -109525.7457 298.5820 -161480.0328 -109170.0172 298.8713 -249.5921 -221.5694 760506.1161 9.0568 9.0240 PRESSURE: 251000 126.872 65.7332 -81.1581 65.733 -169.182 56.0155 -81.158 56.0148 -32.1226 GPRESSURE: 251000 152.034 147.959 -32.3287 147.53 -129.713 115.483 -85.3265 82.3982 -14.0344 PRESSAVG: 251000 -6.52402 -52.2874 7.01112 -52.2875 41.6526 -34.9755 7.01116 -34.9754 -2.46432 GPRESSAVG: 251000 -6.84998 -52.1867 9.19918 -50.7738 41.3665 -34.8765 2.8122 -34.4214 -1.94478 TIMING: 251000 CPU: 789.9, 0.00312524/step Wall: 789.9, 0.00312524/step, 4.12271 hours remaining, 236.015625 MB of memory in use. ENERGY: 251000 3892.7118 20534.0415 14455.9741 262.1838 -203390.1189 2533.5622 0.0000 0.0000 52103.0411 -109608.6045 299.4369 -161711.6456 -109246.3416 299.4184 -24.8109 2.7621 759366.6945 10.8881 10.8572 PRESSURE: 251200 -176.756 -21.3777 -169.026 -21.3771 52.7909 -168.718 -169.027 -168.719 451.982 GPRESSURE: 251200 -90.4155 -8.71928 -161.102 -9.96302 79.569 -186.113 -86.3276 -120.922 415.203 PRESSAVG: 251200 -89.788 -14.9926 -14.4924 -14.9926 84.2651 -48.7212 -14.4924 -48.7212 -8.34968 GPRESSAVG: 251200 -89.254 -16.4633 -16.1543 -14.816 84.3015 -46.9902 -11.8908 -47.4035 -8.64059 TIMING: 251200 CPU: 790.526, 0.00312801/step Wall: 790.526, 0.00312801/step, 4.12619 hours remaining, 236.015625 MB of memory in use. ENERGY: 251200 3936.5569 20701.9690 14425.7591 256.2051 -203299.7895 2401.0066 0.0000 0.0000 52071.0946 -109507.1982 299.2533 -161578.2928 -109147.3402 299.2312 109.3387 134.7855 758821.3035 -4.6242 -4.5310 PRESSURE: 251400 -251.295 -118.819 -111.743 -118.819 176.383 -47.279 -111.743 -47.2799 -99.8107 GPRESSURE: 251400 -177.074 -95.0177 -132.412 -74.8434 183.149 -13.9239 -237.108 62.3146 -120.758 PRESSAVG: 251400 16.4282 -88.882 -41.3868 -88.8819 -9.07078 -49.1393 -41.3869 -49.1393 9.53218 GPRESSAVG: 251400 15.4562 -87.4968 -41.2854 -87.8353 -8.59791 -49.6545 -41.9181 -49.73 10.3195 TIMING: 251400 CPU: 791.151, 0.00312505/step Wall: 791.151, 0.00312505/step, 4.12212 hours remaining, 236.015625 MB of memory in use. ENERGY: 251400 4027.9209 20503.3107 14517.0692 233.5822 -203011.3494 2193.5782 0.0000 0.0000 52163.3675 -109372.5207 299.7836 -161535.8882 -109000.7124 299.5781 -58.2407 -38.2276 759041.5180 5.6299 5.7259 PRESSURE: 251600 -53.6676 10.2521 86.4868 10.2517 299.607 127.583 86.4859 127.583 -58.47 GPRESSURE: 251600 -43.6744 -32.1892 22.1233 4.99466 390.643 83.8508 118.686 150.878 -49.8722 PRESSAVG: 251600 12.1448 -62.4995 -58.3191 -62.4995 -5.03626 -18.514 -58.3191 -18.5141 15.4668 GPRESSAVG: 251600 13.2213 -61.9599 -56.5041 -64.8277 -4.98792 -18.5787 -59.434 -19.6656 14.3076 TIMING: 251600 CPU: 791.775, 0.00312012/step Wall: 791.775, 0.00312012/step, 4.11543 hours remaining, 236.015625 MB of memory in use. ENERGY: 251600 4028.7373 20650.5394 14461.5363 271.0508 -203583.4564 2761.0754 0.0000 0.0000 52261.9459 -109148.5714 300.3501 -161410.5173 -108788.4948 300.0635 62.4898 99.0320 759531.8070 7.5251 7.5137 PRESSURE: 251800 491.723 -126.782 -99.1905 -126.782 -30.8643 -48.809 -99.189 -48.8081 254.859 GPRESSURE: 251800 537.695 -130.177 -97.1902 -211.521 -74.5503 -9.56319 -79.4232 -120.212 323.033 PRESSAVG: 251800 15.1608 -34.6502 -15.4166 -34.6502 -43.0147 -30.9935 -15.4166 -30.9935 -1.67526 GPRESSAVG: 251800 14.9539 -34.8361 -16.7756 -33.0019 -43.6155 -31.3958 -15.1927 -33.0213 -0.567714 TIMING: 251800 CPU: 792.399, 0.00312167/step Wall: 792.399, 0.00312167/step, 4.11731 hours remaining, 236.015625 MB of memory in use. ENERGY: 251800 4035.7598 20543.3256 14495.5905 231.7108 -203826.3512 2938.5537 0.0000 0.0000 52331.6408 -109249.7701 300.7507 -161581.4108 -108885.8499 299.9178 238.5727 262.0593 759123.3233 -9.8431 -9.7431 PRESSURE: 252000 115.305 -115.255 266.405 -115.255 -45.729 -177.004 266.405 -177.005 177.842 GPRESSURE: 252000 121.742 -122.037 261.482 -201.489 65.2754 -148.432 194.714 -212.564 141.002 PRESSAVG: 252000 38.0493 -48.0764 -0.749879 -48.0763 -14.2212 -26.8414 -0.749875 -26.8413 -2.95359 GPRESSAVG: 252000 37.6284 -47.429 0.400266 -49.792 -13.5435 -27.4122 -2.36971 -24.3918 -3.28622 TIMING: 252000 CPU: 793.024, 0.00312594/step Wall: 793.024, 0.00312594/step, 4.12277 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: 252000 4075.5227 20470.2332 14446.3438 245.6882 -203651.7969 2702.4584 0.0000 0.0000 52336.3049 -109375.2457 300.7775 -161711.5507 -109006.1128 300.0575 82.4728 109.3398 759136.7164 6.9582 6.9329 PRESSURE: 252200 -36.6909 -111.611 -48.0177 -111.611 53.3689 -244.053 -48.017 -244.054 -247.181 GPRESSURE: 252200 51.4603 -55.8062 -119.709 -198.163 29.3463 -203.932 -17.1957 -257.942 -203.214 PRESSAVG: 252200 -2.67 -89.2577 -22.9719 -89.2577 1.55157 28.7719 -22.9719 28.7719 -2.8777 GPRESSAVG: 252200 -3.1791 -89.9473 -25.3706 -88.0606 2.1277 29.6959 -20.1249 29.3295 -2.34599 TIMING: 252200 CPU: 793.651, 0.00313314/step Wall: 793.651, 0.00313314/step, 4.13208 hours remaining, 236.015625 MB of memory in use. ENERGY: 252200 3924.7648 20555.9441 14523.6380 271.8624 -203280.0589 2490.9061 0.0000 0.0000 52171.1546 -109341.7889 299.8283 -161512.9435 -108975.2375 300.0553 -76.8344 -40.8024 761214.5734 -1.3320 -1.1325 LDB: ============= START OF LOAD BALANCING ============== 806.098 LDB: ============== END OF LOAD BALANCING =============== 806.099 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 806.1 LDB: ============= START OF LOAD BALANCING ============== 806.412 LDB: Largest compute 7076 load 0.034774 is 17.8% of average load 0.194819 LDB: Average compute 0.004373 is 2.2% of average load 0.194819 LDB: TIME 806.416 LOAD: AVG 0.194819 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.59 MB LDB: TIME 806.416 LOAD: AVG 0.194819 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: TIME 806.416 LOAD: AVG 0.194819 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: ============== END OF LOAD BALANCING =============== 806.418 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 806.423 PRESSURE: 252400 -1.41746 -34.1454 15.5987 -34.1459 308.439 44.7135 15.5981 44.7144 311.694 GPRESSURE: 252400 53.4413 -3.15338 55.9404 -14.836 392.385 18.4218 -14.8754 118.702 260.698 PRESSAVG: 252400 -51.8407 -72.3831 -61.5946 -72.3831 31.1663 67.4479 -61.5946 67.4479 -12.9597 GPRESSAVG: 252400 -50.4209 -71.0244 -59.4165 -73.1037 31.9122 68.6638 -63.9318 66.9776 -15.2646 TIMING: 252400 CPU: 794.287, 0.00318239/step Wall: 794.287, 0.00318239/step, 4.19687 hours remaining, 236.390625 MB of memory in use. ENERGY: 252400 3991.9832 20507.9866 14558.2075 222.8851 -203604.3036 2603.6676 0.0000 0.0000 52216.1813 -109503.3923 300.0871 -161719.5735 -109147.2991 299.9121 206.2385 235.5083 760517.4338 -11.2114 -11.2577 PRESSURE: 252600 -45.2793 -31.4339 19.6645 -31.4332 -93.3955 77.3399 19.6636 77.3401 -103.804 GPRESSURE: 252600 57.7011 -119.341 -19.1931 -3.59985 -91.931 81.8173 77.5491 106.251 -123.371 PRESSAVG: 252600 13.1454 -65.7154 -0.482965 -65.7154 29.5048 41.3937 -0.483022 41.3938 -8.49499 GPRESSAVG: 252600 13.2555 -68.5245 -1.25674 -65.2174 25.8067 40.796 0.36966 40.1459 -5.67835 TIMING: 252600 CPU: 794.912, 0.00312319/step Wall: 794.912, 0.00312319/step, 4.11862 hours remaining, 236.457031 MB of memory in use. ENERGY: 252600 3917.2524 20589.8805 14491.1146 259.8657 -202932.2299 2342.7274 0.0000 0.0000 51815.3364 -109516.0528 297.7835 -161331.3893 -109153.3398 299.3836 -80.8261 -52.5337 763169.6215 11.3851 11.1280 PRESSURE: 252800 -61.7015 -88.2275 29.4383 -88.2284 103.314 -18.2895 29.4391 -18.2906 135.979 GPRESSURE: 252800 -43.9474 71.366 36.1838 -66.0788 151.323 46.6252 111.541 1.60987 164.986 PRESSAVG: 252800 -43.8571 -98.1224 -31.0404 -98.1224 -2.67964 -16.3106 -31.0404 -16.3107 -1.20714 GPRESSAVG: 252800 -44.2312 -95.9115 -31.3144 -98.047 -2.84196 -17.5598 -30.6442 -13.3092 -1.22134 TIMING: 252800 CPU: 795.536, 0.00312287/step Wall: 795.536, 0.00312287/step, 4.11803 hours remaining, 236.457031 MB of memory in use. ENERGY: 252800 4011.2525 20594.9149 14548.0848 265.3059 -203280.7147 2508.1129 0.0000 0.0000 51993.8510 -109359.1928 298.8094 -161353.0438 -108996.2731 299.5394 59.1971 90.7869 761400.2128 -15.9146 -16.0982 PRESSURE: 253000 185.247 104.982 7.24928 104.982 53.1656 -102.582 7.24989 -102.581 -126.859 GPRESSURE: 253000 161.574 164.581 27.1935 248.957 174.875 -73.2929 39.1616 -32.9288 -136.464 PRESSAVG: 253000 -58.0603 -38.825 -10.0987 -38.8249 70.8813 13.3948 -10.0988 13.3948 -23.4722 GPRESSAVG: 253000 -57.1086 -38.9118 -8.71716 -39.4471 71.9855 12.0665 -10.6445 12.9452 -25.7564 TIMING: 253000 CPU: 796.164, 0.00313633/step Wall: 796.164, 0.00313634/step, 4.13561 hours remaining, 236.457031 MB of memory in use. ENERGY: 253000 4127.5113 20363.4577 14469.9087 247.9134 -203448.6754 2658.3161 0.0000 0.0000 52096.3370 -109485.2312 299.3984 -161581.5682 -109116.4840 299.2661 37.1844 66.6618 762193.0056 -3.5504 -3.6265 PRESSURE: 253200 21.5153 -10.0445 67.9887 -10.0439 -99.1433 -246.934 67.9882 -246.934 240.373 GPRESSURE: 253200 -1.03437 -29.5061 -19.7157 -99.3133 -99.875 -247.317 -11.6271 -205.839 335.248 PRESSAVG: 253200 -18.1222 -69.0225 -19.956 -69.0224 18.4222 -34.6415 -19.956 -34.6413 10.8955 GPRESSAVG: 253200 -19.9709 -70.1065 -18.8583 -68.3828 18.9081 -32.803 -19.7986 -34.9443 12.0562 TIMING: 253200 CPU: 796.789, 0.00312657/step Wall: 796.789, 0.00312657/step, 4.12256 hours remaining, 236.457031 MB of memory in use. ENERGY: 253200 4003.6674 20631.4308 14522.8693 266.1474 -203422.1440 2536.6668 0.0000 0.0000 52062.5433 -109398.8190 299.2042 -161461.3623 -109039.9099 298.8400 54.2484 78.1129 762090.4920 3.7318 3.6645 PRESSURE: 253400 -248.251 -51.2492 -180.034 -51.2484 127.089 46.8795 -180.034 46.8802 -181.825 GPRESSURE: 253400 -223.763 -106.141 -190.93 -66.2988 131.254 32.2671 -70.524 78.6663 -159.987 PRESSAVG: 253400 -27.1559 -71.4308 -24.613 -71.4307 5.04125 -66.8688 -24.613 -66.8687 12.6823 GPRESSAVG: 253400 -25.9629 -72.8585 -26.1833 -72.4772 4.41161 -66.5678 -24.9809 -68.1229 11.868 TIMING: 253400 CPU: 797.421, 0.00316234/step Wall: 797.421, 0.00316234/step, 4.16955 hours remaining, 236.457031 MB of memory in use. ENERGY: 253400 3968.4944 20642.2453 14581.8627 239.3800 -203332.7009 2827.7910 0.0000 0.0000 51833.6048 -109239.3228 297.8884 -161072.9276 -108884.9432 299.6141 -100.9960 -84.1655 762463.7960 -3.1441 -3.2278 PRESSURE: 253600 -518.077 85.281 132.955 85.2798 -168.298 214.937 132.956 214.937 29.8493 GPRESSURE: 253600 -461.373 153.991 75.6601 84.5954 -121.911 164.774 121.453 218.167 8.37509 PRESSAVG: 253600 35.7466 -45.3997 26.8547 -45.3997 -18.9048 -17.4248 26.8547 -17.4247 8.07347 GPRESSAVG: 253600 37.0783 -44.1548 26.5757 -45.1769 -18.9652 -17.626 28.414 -17.8299 7.52864 TIMING: 253600 CPU: 798.045, 0.00311677/step Wall: 798.045, 0.00311677/step, 4.10929 hours remaining, 236.457031 MB of memory in use. ENERGY: 253600 4064.5663 20362.4802 14459.3136 260.6088 -203318.0093 2553.6884 0.0000 0.0000 52218.3381 -109399.0140 300.0995 -161617.3520 -109032.6031 299.6701 -218.8417 -191.6362 764143.3751 8.3051 8.5473 PRESSURE: 253800 -459.948 -59.8841 -332.724 -59.8838 -290.203 -314.733 -332.725 -314.734 -49.773 GPRESSURE: 253800 -470.365 -84.1932 -329.596 -18.8626 -235.23 -361.016 -272.975 -309.616 3.85652 PRESSAVG: 253800 10.2152 20.0964 -6.54532 20.0965 -24.3379 2.63107 -6.54533 2.63111 -19.8325 GPRESSAVG: 253800 10.6976 21.2262 -7.75283 19.7254 -24.0968 2.20895 -6.41684 4.02035 -20.3497 TIMING: 253800 CPU: 798.674, 0.00314374/step Wall: 798.674, 0.00314374/step, 4.14467 hours remaining, 236.457031 MB of memory in use. ENERGY: 253800 3941.6326 20586.3804 14501.2971 249.6038 -202984.8398 2261.1280 0.0000 0.0000 52064.6719 -109380.1259 299.2164 -161444.7978 -109018.5031 299.4383 -266.6415 -233.9129 763028.3149 -11.3184 -11.2496 PRESSURE: 254000 186.407 -255.641 15.7872 -255.642 49.1406 123.323 15.7871 123.323 -28.871 GPRESSURE: 254000 171.45 -217.31 72.746 -272.076 80.0683 6.35093 -86.6426 -77.3289 55.8138 PRESSAVG: 254000 -42.593 -66.3549 -40.4842 -66.3549 -19.8104 -26.2668 -40.4842 -26.2667 -12.9127 GPRESSAVG: 254000 -42.7163 -68.2204 -39.4023 -66.5241 -20.7904 -25.1021 -40.7583 -27.1868 -11.8435 TIMING: 254000 CPU: 799.302, 0.00314374/step Wall: 799.302, 0.00314374/step, 4.14449 hours remaining, 236.457031 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: 254000 3878.8055 20521.7334 14503.5777 252.6809 -203274.0438 2379.6173 0.0000 0.0000 52606.6445 -109130.9843 302.3311 -161737.6288 -108762.6974 299.6074 68.8921 102.4441 762719.5445 -25.1054 -25.1167 PRESSURE: 254200 -149.674 86.5304 277.958 86.5305 6.43943 49.703 277.958 49.7014 -92.9032 GPRESSURE: 254200 -135.421 25.837 400.089 67.7147 128.085 111.18 167.414 166.596 -143.883 PRESSAVG: 254200 29.0341 -89.8001 26.9815 -89.8001 24.9975 13.3802 26.9815 13.3801 2.73435 GPRESSAVG: 254200 28.6872 -86.5831 29.0855 -90.5446 26.2542 14.4182 27.0071 11.5167 2.77819 TIMING: 254200 CPU: 799.929, 0.00313175/step Wall: 799.929, 0.00313175/step, 4.12852 hours remaining, 236.457031 MB of memory in use. ENERGY: 254200 3956.9970 20470.9349 14541.4349 238.6162 -203290.1562 2552.8544 0.0000 0.0000 52266.7897 -109262.5292 300.3780 -161529.3189 -108893.9722 300.2241 -78.7125 -50.4064 761212.7244 18.9220 19.2398 PRESSURE: 254400 11.7588 -103.794 -50.8321 -103.793 -202.673 -48.2218 -50.832 -48.2207 -173.942 GPRESSURE: 254400 14.3718 -134.541 -123.242 -114.319 -172.468 -31.4989 16.6023 -43.4496 -151.248 PRESSAVG: 254400 7.07372 -52.7937 1.79028 -52.7937 -0.290839 -59.5077 1.79033 -59.5077 -22.9689 GPRESSAVG: 254400 6.54037 -56.7654 -1.46438 -50.3864 0.350962 -61.5071 3.64647 -57.0067 -23.4418 TIMING: 254400 CPU: 800.556, 0.00313652/step Wall: 800.556, 0.00313652/step, 4.13463 hours remaining, 236.457031 MB of memory in use. ENERGY: 254400 4051.0203 20587.3867 14504.6077 237.4987 -203519.6107 2464.1505 0.0000 0.0000 52681.6229 -108993.3240 302.7620 -161674.9468 -108627.4076 300.4920 -121.6186 -103.1148 761777.5533 -5.3954 -5.5168 PRESSURE: 254600 -199.05 -128.206 -81.367 -128.205 -104.822 -249.75 -81.3674 -249.75 158.94 GPRESSURE: 254600 -120.344 -187.89 -187.984 -219.52 -131.044 -154.01 -72.1844 -253.866 197.293 PRESSAVG: 254600 -22.6389 -46.4447 -28.6065 -46.4447 26.5203 8.30446 -28.6066 8.30446 -2.53495 GPRESSAVG: 254600 -23.1102 -44.8365 -25.1635 -50.7557 25.6615 8.81416 -31.401 7.43376 -1.42329 TIMING: 254600 CPU: 801.186, 0.00314855/step Wall: 801.186, 0.00314855/step, 4.15032 hours remaining, 236.457031 MB of memory in use. ENERGY: 254600 4065.5415 20533.7072 14530.5621 260.0196 -203178.3031 2632.3300 0.0000 0.0000 52092.3648 -109063.7780 299.3755 -161156.1427 -108701.7343 301.0116 -48.3105 -18.0316 762159.2396 0.4488 0.3760 PRESSURE: 254800 178.865 -58.0789 -306.421 -58.0799 61.7658 335.121 -306.421 335.122 68.5541 GPRESSURE: 254800 200.949 -162.237 -245.012 -137.988 147.265 327.189 -122.283 300.421 91.721 PRESSAVG: 254800 13.1008 -67.7731 39.6031 -67.773 -57.8266 32.1374 39.6032 32.1373 -1.45806 GPRESSAVG: 254800 14.8915 -71.013 40.0131 -65.7346 -58.1518 30.9562 41.2195 33.6022 -2.5717 TIMING: 254800 CPU: 801.816, 0.00315124/step Wall: 801.816, 0.00315124/step, 4.15369 hours remaining, 236.457031 MB of memory in use. ENERGY: 254800 4091.9824 20717.2659 14474.9750 252.2121 -203436.9343 2520.4215 0.0000 0.0000 52199.9904 -109180.0871 299.9941 -161380.0775 -108827.5956 300.4748 103.0618 146.6451 761776.8248 -15.3946 -15.2773 PRESSURE: 255000 -58.9969 9.27423 192.478 9.27447 133.45 -33.5726 192.477 -33.5724 169.325 GPRESSURE: 255000 -44.323 -167.859 186.364 -44.9172 67.5502 28.0479 102.674 -44.3868 302.598 PRESSAVG: 255000 10.7644 -56.1287 0.113048 -56.1287 -3.16721 96.0548 0.113001 96.0549 -3.49145 GPRESSAVG: 255000 9.54376 -53.2182 -0.909027 -56.1564 -3.38471 96.6047 0.520336 95.6022 -2.16192 TIMING: 255000 CPU: 802.442, 0.00312882/step Wall: 802.442, 0.00312882/step, 4.12396 hours remaining, 236.457031 MB of memory in use. ENERGY: 255000 4030.6981 20393.4354 14519.5340 265.0929 -203182.8107 2472.3341 0.0000 0.0000 52142.2274 -109359.4887 299.6621 -161501.7162 -109003.5192 300.3410 81.2594 108.6085 762219.5471 1.3686 1.3324 PRESSURE: 255200 149.975 -50.9827 176.381 -50.9827 -169.795 -54.8724 176.381 -54.873 -407.642 GPRESSURE: 255200 131.208 -11.7613 224.659 -159.735 -121.122 -38.4866 217.648 -105.606 -357.718 PRESSAVG: 255200 14.8698 -28.4684 -9.557 -28.4684 -16.246 -16.7546 -9.55693 -16.7545 -22.082 GPRESSAVG: 255200 14.5104 -28.55 -10.2797 -26.5153 -16.1016 -17.6126 -10.7783 -18.2759 -22.1131 TIMING: 255200 CPU: 803.067, 0.00312422/step Wall: 803.067, 0.00312422/step, 4.11772 hours remaining, 236.457031 MB of memory in use. ENERGY: 255200 3977.8236 20747.7011 14510.2887 276.9492 -203466.4331 2574.0771 0.0000 0.0000 52244.2477 -109135.3457 300.2484 -161379.5934 -108764.2837 299.7945 -142.4876 -115.8774 760445.9320 -7.8194 -7.9015 PRESSURE: 255400 60.6715 -120.922 -204.225 -120.922 -2.50693 -175.538 -204.225 -175.538 -339.476 GPRESSURE: 255400 50.4121 -201.848 -180.619 -105.981 42.5501 -294.895 -97.3496 -109.599 -290.509 PRESSAVG: 255400 -28.358 -93.9732 -6.49746 -93.9732 31.112 11.3862 -6.49739 11.3861 -3.47021 GPRESSAVG: 255400 -28.379 -94.5687 -6.58082 -96.381 32.1426 12.6897 -7.14936 13.8271 -4.21958 TIMING: 255400 CPU: 803.695, 0.00314301/step Wall: 803.695, 0.00314301/step, 4.14231 hours remaining, 236.457031 MB of memory in use. ENERGY: 255400 4030.7646 20620.8700 14438.6208 257.8471 -203459.5538 2508.1385 0.0000 0.0000 52347.0729 -109256.2399 300.8393 -161603.3128 -108905.1470 300.1752 -93.7706 -65.8491 759777.5963 -0.2387 -0.1520 PRESSURE: 255600 -229.035 -204.422 -183.766 -204.42 72.7344 -264.06 -183.766 -264.061 -220.469 GPRESSURE: 255600 -113.416 -91.5812 -160.769 -12.0751 61.8844 -121.674 -193.902 -256.542 -235.835 PRESSAVG: 255600 11.6946 -45.8244 -20.2701 -45.8244 17.1473 -22.2269 -20.2701 -22.227 10.146 GPRESSAVG: 255600 12.6924 -44.552 -18.5852 -43.8694 16.3484 -20.1158 -19.8957 -24.948 9.94156 TIMING: 255600 CPU: 804.32, 0.00312501/step Wall: 804.32, 0.00312501/step, 4.11841 hours remaining, 236.457031 MB of memory in use. ENERGY: 255600 4021.1039 20543.9588 14509.7559 264.6858 -203536.6580 2580.8205 0.0000 0.0000 52188.5339 -109427.7992 299.9282 -161616.3331 -109062.0472 299.9042 -125.5899 -95.7886 761240.2161 12.9959 12.9941 PRESSURE: 255800 -78.7858 48.3283 55.7217 48.3289 -22.8552 23.09 55.7212 23.0907 67.0916 GPRESSURE: 255800 18.0037 -55.8608 101.278 -7.3209 -11.6895 26.8425 99.1369 43.1646 35.7223 PRESSAVG: 255800 52.8131 -41.0172 -25.2715 -41.0172 -60.4186 -26.1791 -25.2715 -26.1792 3.05557 GPRESSAVG: 255800 52.2663 -41.9935 -24.9804 -42.5853 -59.5816 -28.3637 -25.9852 -26.4414 3.25551 TIMING: 255800 CPU: 804.945, 0.00312539/step Wall: 804.945, 0.00312539/step, 4.11874 hours remaining, 236.457031 MB of memory in use. ENERGY: 255800 3934.4340 20453.4035 14491.6131 248.4409 -203318.2767 2524.2418 0.0000 0.0000 52201.6318 -109464.5116 300.0035 -161666.1434 -109098.8462 299.2142 -11.5165 14.0122 762718.9751 -1.5167 -1.3533 PRESSURE: 256000 -67.751 9.3677 -44.9179 9.36708 -254.369 -97.7688 -44.9183 -97.77 -110.385 GPRESSURE: 256000 -4.7194 -112.851 -3.05933 -53.6063 -203.611 -119.579 -94.9917 -68.9504 -125.009 PRESSAVG: 256000 0.0224739 -12.2344 28.7191 -12.2344 12.663 16.5794 28.719 16.5794 -10.8598 GPRESSAVG: 256000 -0.0133203 -12.0635 27.335 -12.1931 12.3047 18.1926 28.8406 16.6818 -10.2714 TIMING: 256000 CPU: 805.572, 0.00313499/step Wall: 805.572, 0.00313499/step, 4.13123 hours remaining, 236.457031 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: 256000 3915.3586 20470.5895 14488.3601 252.7387 -203659.4756 2747.0302 0.0000 0.0000 52070.0310 -109715.3675 299.2472 -161785.3985 -109353.0289 299.0792 -144.1683 -111.1132 762016.5694 0.6085 0.6733 PRESSURE: 256200 122.51 50.9379 -110.684 50.9378 48.4313 -253.858 -110.684 -253.857 -388.362 GPRESSURE: 256200 137.127 8.35491 -15.2729 160.806 118.281 -260.363 -193.779 -290.056 -374.09 PRESSAVG: 256200 -8.06723 -89.3422 -36.6412 -89.3422 49.2885 24.6351 -36.6412 24.6351 -9.31319 GPRESSAVG: 256200 -7.49662 -90.7589 -36.3437 -89.133 48.5494 23.945 -37.522 26.9334 -8.95669 TIMING: 256200 CPU: 806.197, 0.00312262/step Wall: 806.197, 0.00312262/step, 4.11475 hours remaining, 236.457031 MB of memory in use. ENERGY: 256200 3953.4847 20421.8491 14472.7298 248.1671 -203410.6046 2639.4641 0.0000 0.0000 51768.7595 -109906.1503 297.5158 -161674.9098 -109541.4880 298.5328 -72.4734 -39.5607 762532.1803 10.6360 10.6987 LDB: ============= START OF LOAD BALANCING ============== 818.646 LDB: ============== END OF LOAD BALANCING =============== 818.646 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 818.648 LDB: ============= START OF LOAD BALANCING ============== 818.963 LDB: Largest compute 7076 load 0.036374 is 18.7% of average load 0.194840 LDB: Average compute 0.004406 is 2.3% of average load 0.194840 LDB: TIME 818.966 LOAD: AVG 0.19484 MAX 0.210461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.789 MB LDB: TIME 818.966 LOAD: AVG 0.19484 MAX 0.210461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 818.966 LOAD: AVG 0.19484 MAX 0.210461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 818.968 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 818.973 PRESSURE: 256400 -76.727 119.846 -196.219 119.846 -124.252 -130.601 -196.219 -130.601 46.9862 GPRESSURE: 256400 -144.838 25.0797 -283.724 55.3836 -11.5055 -134.067 -194.039 -221.855 102.588 PRESSAVG: 256400 35.9756 -85.5114 33.6697 -85.5113 -15.255 -51.2327 33.6697 -51.2327 -18.554 GPRESSAVG: 256400 35.7367 -84.6034 35.0195 -86.8527 -14.2394 -53.5062 35.9161 -52.1335 -19.2122 TIMING: 256400 CPU: 806.837, 0.00320276/step Wall: 806.837, 0.00320276/step, 4.22017 hours remaining, 235.558594 MB of memory in use. ENERGY: 256400 3944.7488 20404.5135 14478.1389 232.2056 -203712.3501 2699.4222 0.0000 0.0000 51979.1781 -109974.1429 298.7251 -161953.3210 -109598.2645 298.1149 -51.3308 -17.9185 760914.7563 0.7222 0.7617 PRESSURE: 256600 -73.1255 -250.455 240.055 -250.455 188.497 -65.8811 240.056 -65.8816 175.866 GPRESSURE: 256600 56.6292 -218.241 211.399 -182.607 154.443 -72.6393 72.9072 178.341 169.119 PRESSAVG: 256600 -25.2445 35.9907 16.2379 35.9907 11.0716 -6.67708 16.2378 -6.67708 6.93674 GPRESSAVG: 256600 -24.2311 36.3568 15.4269 38.2589 9.21627 -6.0393 14.6884 -5.42529 7.50225 TIMING: 256600 CPU: 807.46, 0.00311116/step Wall: 807.46, 0.00311116/step, 4.0993 hours remaining, 235.558594 MB of memory in use. ENERGY: 256600 3930.4561 20446.2806 14509.7716 251.1275 -204118.1580 2960.3993 0.0000 0.0000 52130.5404 -109889.5826 299.5949 -162020.1230 -109533.5753 298.4949 97.0793 126.7305 759335.7887 -2.4121 -2.5042 PRESSURE: 256800 -49.8429 -41.6677 150.916 -41.6668 -331.192 94.1403 150.917 94.1407 56.6453 GPRESSURE: 256800 -58.1721 -35.6947 103.169 -12.1964 -209.645 54.5625 170.218 44.1443 46.0974 PRESSAVG: 256800 1.69176 46.0768 49.8703 46.0768 -4.83917 18.9451 49.8704 18.9451 -1.12286 GPRESSAVG: 256800 1.94527 45.4625 48.3191 46.1985 -3.40105 20.1981 48.8713 16.6836 -2.12788 TIMING: 256800 CPU: 808.085, 0.0031251/step Wall: 808.085, 0.00312509/step, 4.11749 hours remaining, 235.558594 MB of memory in use. ENERGY: 256800 4050.4584 20504.5178 14444.7077 240.7553 -203697.3031 2546.7274 0.0000 0.0000 51827.8795 -110082.2570 297.8555 -161910.1366 -109717.3104 298.7239 -108.1297 -73.9064 759622.8597 -1.4234 -1.1946 PRESSURE: 257000 185.405 -9.53934 104.492 -9.53953 68.4923 111.836 104.492 111.836 181.535 GPRESSURE: 257000 216.656 -45.8852 155.56 -59.4771 102.347 135.664 83.9557 29.7959 215.274 PRESSAVG: 257000 -47.8025 -14.3143 43.9347 -14.3143 57.7284 -16.7386 43.9347 -16.7385 20.7778 GPRESSAVG: 257000 -50.1601 -15.0311 44.5003 -13.6961 58.7974 -17.01 46.6536 -17.2098 21.6715 TIMING: 257000 CPU: 808.708, 0.0031196/step Wall: 808.708, 0.0031196/step, 4.11007 hours remaining, 235.558594 MB of memory in use. ENERGY: 257000 3893.5437 20572.9496 14499.1108 240.2041 -204047.4537 2818.0124 0.0000 0.0000 52002.3699 -110021.2631 298.8583 -162023.6330 -109652.3279 298.1059 145.1443 178.0924 759004.5941 10.2346 10.1029 PRESSURE: 257200 -87.9882 -38.8113 52.6382 -38.8107 191.97 29.3095 52.6375 29.3094 -379.037 GPRESSURE: 257200 -25.22 -121.214 19.9664 58.0335 149.942 108.526 137.382 22.0625 -322.897 PRESSAVG: 257200 -60.568 -26.3724 -15.2649 -26.3724 80.1188 52.2533 -15.2649 52.2533 25.8823 GPRESSAVG: 257200 -58.3722 -26.2038 -15.8771 -25.9547 78.3432 51.8909 -15.4235 53.6683 25.4119 TIMING: 257200 CPU: 809.331, 0.0031136/step Wall: 809.331, 0.0031136/step, 4.10199 hours remaining, 235.558594 MB of memory in use. ENERGY: 257200 3994.6345 20508.9986 14538.5574 246.1831 -203830.5761 2746.1956 0.0000 0.0000 51873.7533 -109922.2536 298.1192 -161796.0069 -109562.5225 298.5289 -91.6850 -66.0582 760618.4758 15.1444 15.1276 PRESSURE: 257400 17.9309 -27.8345 -232.692 -27.8342 78.5411 -220.501 -232.691 -220.502 -24.5699 GPRESSURE: 257400 -6.7938 -30.825 -361.506 -144.677 80.2236 -164.174 -143.184 -132.798 86.9052 PRESSAVG: 257400 -21.5208 -32.7613 -58.9688 -32.7613 41.0919 7.7805 -58.9687 7.78052 -10.8526 GPRESSAVG: 257400 -22.1867 -31.0568 -58.5824 -36.2067 40.5942 7.563 -60.1796 7.4188 -10.0301 TIMING: 257400 CPU: 809.961, 0.00315054/step Wall: 809.961, 0.00315054/step, 4.15049 hours remaining, 235.558594 MB of memory in use. ENERGY: 257400 4003.8546 20369.9462 14522.0752 251.3572 -203856.4705 2795.1441 0.0000 0.0000 51897.5529 -110016.5403 298.2559 -161914.0932 -109657.0067 297.8900 23.9674 53.4450 762092.6465 2.9062 2.7924 PRESSURE: 257600 -171.226 -130.351 7.63072 -130.351 -114.136 56.8016 7.63048 56.8015 130.324 GPRESSURE: 257600 -92.1163 -135.47 13.3635 -178.216 -63.1926 128.301 95.4118 46.5076 70.9597 PRESSAVG: 257600 -59.2182 -46.5032 -6.36955 -46.5032 34.1289 68.6125 -6.36952 68.6125 4.06546 GPRESSAVG: 257600 -59.6551 -48.7458 -5.37513 -44.4679 35.657 69.54 -5.43973 68.7079 2.8636 TIMING: 257600 CPU: 810.587, 0.00312907/step Wall: 810.587, 0.00312907/step, 4.12202 hours remaining, 235.558594 MB of memory in use. ENERGY: 257600 3975.4797 20434.9153 14476.0425 246.9062 -203575.4551 2551.4240 0.0000 0.0000 51853.7048 -110036.9827 298.0040 -161890.6875 -109683.8690 298.2656 -51.6794 -28.1164 761497.4920 -7.0080 -7.0448 PRESSURE: 257800 -441.948 -65.4108 114.972 -65.4119 -202.714 -63.3707 114.971 -63.371 234.209 GPRESSURE: 257800 -376.448 -36.1544 115.336 -55.7251 -141.466 -114.919 100.361 119.83 172.432 PRESSAVG: 257800 -3.98272 -63.9044 26.957 -63.9045 -28.0009 10.6049 26.957 10.605 -2.20235 GPRESSAVG: 257800 -3.73058 -62.7852 24.9273 -64.6904 -28.3345 9.69912 27.6739 11.9192 -1.92723 TIMING: 257800 CPU: 811.21, 0.00311562/step Wall: 811.21, 0.00311562/step, 4.10413 hours remaining, 235.558594 MB of memory in use. ENERGY: 257800 3929.1596 20543.7897 14489.3769 230.0717 -203667.3261 2534.9311 0.0000 0.0000 51768.2184 -110171.7786 297.5127 -161939.9971 -109809.6408 297.8686 -136.8179 -115.1609 761042.0158 -11.3953 -11.3308 PRESSURE: 258000 69.5349 53.4782 -5.00138 53.4776 -466.446 -174.408 -5.00089 -174.408 144.808 GPRESSURE: 258000 -27.0871 50.4214 -70.8899 20.8546 -324.307 -91.9938 44.8418 -304.83 203.371 PRESSAVG: 258000 13.1478 -35.4715 26.7834 -35.4715 16.6569 23.2226 26.7834 23.2226 17.9356 GPRESSAVG: 258000 12.2702 -35.9732 28.4008 -35.545 17.3888 23.8116 25.8076 22.133 18.0028 TIMING: 258000 CPU: 811.831, 0.00310261/step Wall: 811.831, 0.00310261/step, 4.08683 hours remaining, 235.558594 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: 258000 3907.1275 20475.6557 14550.5742 237.1999 -203700.2072 2639.0015 0.0000 0.0000 51588.0675 -110302.5810 296.4773 -161890.6485 -109948.6004 297.6588 -84.0346 -49.3409 762210.8662 15.9134 15.8873 PRESSURE: 258200 6.21187 3.82096 142.927 3.82035 99.9584 -93.249 142.927 -93.2489 99.8678 GPRESSURE: 258200 157.146 -0.510257 118.037 -77.4499 118.67 -100.013 103.887 -142.829 33.2772 PRESSAVG: 258200 -45.7038 -89.4392 40.9249 -89.4392 39.0497 9.47918 40.925 9.47919 5.58015 GPRESSAVG: 258200 -45.0751 -89.0328 41.1716 -88.2807 38.7446 8.67987 40.5767 8.7692 5.6955 TIMING: 258200 CPU: 812.453, 0.00311196/step Wall: 812.453, 0.00311196/step, 4.09897 hours remaining, 235.558594 MB of memory in use. ENERGY: 258200 4013.3709 20368.7473 14500.1443 226.2821 -203808.0872 2752.5280 0.0000 0.0000 51930.4730 -110016.5415 298.4451 -161947.0145 -109645.0123 297.6009 68.6794 103.0311 759248.7919 -0.3580 -0.2117 PRESSURE: 258400 -293.499 -178.318 -130.21 -178.318 -178.012 207.668 -130.21 207.669 -55.7543 GPRESSURE: 258400 -173.524 -178.008 -34.7504 -53.8511 -205.15 198.031 -143.028 161.625 -84.7142 PRESSAVG: 258400 -40.1027 7.4341 51.0026 7.4341 33.1649 -23.443 51.0026 -23.443 -4.49055 GPRESSAVG: 258400 -39.0063 8.57744 50.8581 6.88501 31.8144 -23.1163 50.7204 -22.0915 -4.70908 TIMING: 258400 CPU: 813.076, 0.00311346/step Wall: 813.076, 0.00311346/step, 4.10077 hours remaining, 235.558594 MB of memory in use. ENERGY: 258400 4013.1177 20494.4334 14446.1872 251.3248 -203723.3518 2817.1984 0.0000 0.0000 51887.5948 -109813.4956 298.1987 -161701.0904 -109454.4711 298.3927 -175.7550 -154.4628 761490.9953 -3.8095 -3.9670 PRESSURE: 258600 -71.9343 -44.4255 -81.265 -44.4253 -369.113 -229.371 -81.2641 -229.371 483.458 GPRESSURE: 258600 -47.2553 -57.5347 -44.6475 -34.6659 -336.666 -206.753 -32.9213 -255.501 504.329 PRESSAVG: 258600 -7.42254 -54.78 27.1052 -54.7799 22.3203 -15.1409 27.1053 -15.141 4.29394 GPRESSAVG: 258600 -7.20972 -55.573 28.1572 -54.2138 22.81 -15.4332 26.9464 -16.7156 3.14959 TIMING: 258600 CPU: 813.695, 0.00309761/step Wall: 813.695, 0.00309761/step, 4.07972 hours remaining, 235.558594 MB of memory in use. ENERGY: 258600 3960.5651 20562.4189 14544.1699 251.1730 -203324.4483 2448.8287 0.0000 0.0000 51788.0972 -109769.1954 297.6269 -161557.2927 -109418.7760 298.6281 14.1369 40.1360 762290.2387 6.3972 6.2500 PRESSURE: 258800 65.4477 -41.8668 -0.590312 -41.8661 114.364 95.3 -0.590562 95.2992 168.072 GPRESSURE: 258800 95.5099 -126.933 -12.9297 -83.2576 169.307 175.211 73.4121 34.9166 155.519 PRESSAVG: 258800 6.57758 -52.4595 21.1986 -52.4596 -63.0257 -23.557 21.1985 -23.557 -19.1453 GPRESSAVG: 258800 5.4105 -51.098 20.5051 -52.9421 -63.0174 -22.4033 21.7044 -23.6999 -17.8566 TIMING: 258800 CPU: 814.321, 0.00312858/step Wall: 814.321, 0.00312858/step, 4.12034 hours remaining, 235.558594 MB of memory in use. ENERGY: 258800 4057.5563 20343.6469 14525.6192 242.7104 -204038.8396 2845.7498 0.0000 0.0000 52295.0666 -109728.4904 300.5405 -162023.5570 -109366.4881 298.5690 115.9613 140.1119 760569.2801 -25.1978 -25.1545 PRESSURE: 259000 137.266 33.7594 87.0902 33.7602 22.1535 -387.79 87.0889 -387.791 -123.151 GPRESSURE: 259000 150.92 115.908 42.2096 89.9465 12.1345 -309.372 104.271 -308.948 -42.9371 PRESSAVG: 259000 22.568 -22.3873 17.2798 -22.3873 -7.42066 35.6755 17.2798 35.6755 1.45085 GPRESSAVG: 259000 23.2767 -23.6447 16.9171 -21.7561 -7.16998 34.5686 16.812 38.4906 1.06202 TIMING: 259000 CPU: 814.945, 0.00312203/step Wall: 814.945, 0.00312203/step, 4.11154 hours remaining, 235.558594 MB of memory in use. ENERGY: 259000 4032.1322 20604.7855 14394.7528 253.4121 -203716.1839 2751.9567 0.0000 0.0000 51972.8319 -109706.3126 298.6886 -161679.1446 -109345.7677 299.3983 12.0895 40.0393 759324.9415 5.5327 5.7229 PRESSURE: 259200 165.399 -10.7445 -263.779 -10.7451 87.1695 -145.759 -263.779 -145.76 -310.835 GPRESSURE: 259200 210.112 -42.4036 -156.554 11.1471 54.2332 -201.429 -360.157 -188.189 -240.565 PRESSAVG: 259200 -12.624 27.8486 -8.432 27.8486 44.5638 26.1818 -8.43204 26.182 11.8714 GPRESSAVG: 259200 -13.6412 27.5456 -7.86778 28.7178 44.7535 26.4459 -8.68543 24.7234 12.2453 TIMING: 259200 CPU: 815.573, 0.00313679/step Wall: 815.573, 0.00313679/step, 4.1308 hours remaining, 235.558594 MB of memory in use. ENERGY: 259200 4030.3858 20472.7212 14541.5830 251.1814 -203624.3547 2691.2540 0.0000 0.0000 51954.9616 -109682.2676 298.5859 -161637.2293 -109326.6778 299.1728 -19.4221 7.9269 757617.4194 14.6037 14.4525 PRESSURE: 259400 309.522 165.835 160.713 165.836 -176.379 232.24 160.712 232.241 80.14 GPRESSURE: 259400 255.958 52.4755 158.226 117.798 -68.9161 295.131 259.809 147.59 97.3161 PRESSAVG: 259400 -23.8465 11.2566 25.7859 11.2566 10.6795 -24.1668 25.7859 -24.1668 11.7414 GPRESSAVG: 259400 -22.7925 10.7129 24.893 9.49352 9.22356 -24.7198 24.6743 -23.6523 11.8807 TIMING: 259400 CPU: 816.198, 0.00312705/step Wall: 816.198, 0.00312705/step, 4.1178 hours remaining, 235.558594 MB of memory in use. ENERGY: 259400 3936.2520 20483.2478 14490.5837 252.8991 -202944.5478 2271.6142 0.0000 0.0000 51858.1139 -109651.8370 298.0293 -161509.9509 -109293.0985 299.2897 71.0944 94.7861 760129.7575 -0.4752 -0.5628 PRESSURE: 259600 138.615 -96.0694 28.3898 -96.0688 -241.251 40.1002 28.3896 40.1001 -399.407 GPRESSURE: 259600 97.3173 -109.371 70.1023 -109.818 -83.534 98.8172 14.1334 -21.5454 -425.119 PRESSAVG: 259600 16.084 13.5421 44.4767 13.5421 25.84 3.13334 44.4767 3.13332 3.51085 GPRESSAVG: 259600 15.283 12.0956 43.7835 15.3943 26.8236 3.14555 46.6641 3.5202 2.74045 TIMING: 259600 CPU: 816.82, 0.0031099/step Wall: 816.82, 0.0031099/step, 4.09505 hours remaining, 235.558594 MB of memory in use. ENERGY: 259600 3946.8701 20617.5197 14413.0114 259.9593 -203643.2598 2636.2877 0.0000 0.0000 52109.5652 -109660.0463 299.4744 -161769.6116 -109296.3195 299.0311 -167.3480 -137.1119 760429.8521 15.1449 14.9490 PRESSURE: 259800 -345.716 113.376 -207.955 113.376 -76.3431 -70.9411 -207.955 -70.9412 -28.0751 GPRESSURE: 259800 -249.814 167.773 -224.896 20.4457 -86.8934 -99.728 -158.356 -31.3788 -34.1161 PRESSAVG: 259800 -35.1151 -12.3419 10.8541 -12.3419 12.4438 28.1593 10.8541 28.1593 17.3844 GPRESSAVG: 259800 -34.3161 -9.5044 12.0861 -12.838 12.3917 28.1475 7.36812 28.2597 16.6092 TIMING: 259800 CPU: 817.443, 0.0031143/step Wall: 817.443, 0.0031143/step, 4.10067 hours remaining, 235.558594 MB of memory in use. ENERGY: 259800 3975.8632 20581.4089 14416.2186 246.6494 -203662.5230 2580.0580 0.0000 0.0000 52013.4768 -109848.8482 298.9222 -161862.3250 -109495.6727 298.7336 -150.0447 -123.6080 759717.0764 -1.7623 -1.7717 PRESSURE: 260000 -157.155 16.0965 26.2199 16.0971 -40.6463 77.6325 26.2194 77.631 283.194 GPRESSURE: 260000 -104.683 85.824 7.78749 -42.1127 -53.8669 110.182 87.6849 -61.0835 338.566 PRESSAVG: 260000 -27.9059 -19.8003 27.5962 -19.8004 -6.16083 9.49099 27.5962 9.49097 13.258 GPRESSAVG: 260000 -28.6783 -21.2267 28.4615 -19.4227 -6.06546 9.87271 28.5032 7.64848 13.5916 TIMING: 260000 CPU: 818.067, 0.00312089/step Wall: 818.067, 0.00312089/step, 4.10917 hours remaining, 235.558594 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: 260000 3902.3158 20501.3315 14535.5641 263.6472 -203834.6296 2658.5049 0.0000 0.0000 52041.1955 -109932.0706 299.0815 -161973.2661 -109566.7659 298.7165 28.4642 60.0053 761237.0257 -6.9363 -7.0507 PRESSURE: 260200 209.538 -24.1091 22.5151 -24.109 313.476 -354.502 22.5143 -354.502 16.1666 GPRESSURE: 260200 195.949 -56.1032 27.9691 22.1142 371.239 -353.875 185.162 -237.382 47.1546 PRESSAVG: 260200 -18.0684 -25.9643 -10.0774 -25.9643 62.283 27.2592 -10.0774 27.2592 10.9318 GPRESSAVG: 260200 -18.0407 -24.3537 -9.71284 -27.5158 63.1421 28.2724 -8.66168 27.3076 10.3653 TIMING: 260200 CPU: 818.692, 0.00312232/step Wall: 818.692, 0.00312232/step, 4.11088 hours remaining, 235.558594 MB of memory in use. ENERGY: 260200 3983.5866 20445.0320 14487.2529 251.5712 -203872.3923 2938.6938 0.0000 0.0000 51693.6000 -110072.6558 297.0838 -161766.2558 -109717.3551 298.2493 179.7271 204.7807 759563.1902 18.3821 18.4889 LDB: ============= START OF LOAD BALANCING ============== 831.142 LDB: ============== END OF LOAD BALANCING =============== 831.143 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 831.144 LDB: ============= START OF LOAD BALANCING ============== 831.458 LDB: Largest compute 7076 load 0.035162 is 18.0% of average load 0.194938 LDB: Average compute 0.004383 is 2.2% of average load 0.194938 LDB: TIME 831.462 LOAD: AVG 0.194938 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.586 MB LDB: TIME 831.462 LOAD: AVG 0.194938 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 831.462 LOAD: AVG 0.194938 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 831.464 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 831.469 PRESSURE: 260400 234.704 -103.746 85.7538 -103.746 95.0512 -420.131 85.7531 -420.131 -144.818 GPRESSURE: 260400 274.815 -91.8314 104.099 -168.105 56.2958 -385.008 25.4225 -396.304 -74.1798 PRESSAVG: 260400 -21.0689 -16.9886 1.74686 -16.9885 37.0499 -29.2421 1.74691 -29.2421 -6.43752 GPRESSAVG: 260400 -20.2437 -18.0335 1.52625 -16.3092 35.4798 -31.1261 -0.376218 -27.2703 -6.54215 TIMING: 260400 CPU: 819.333, 0.0032084/step Wall: 819.333, 0.0032084/step, 4.22403 hours remaining, 234.792969 MB of memory in use. ENERGY: 260400 4057.7761 20490.8122 14468.6375 247.9087 -203963.2983 2868.4506 0.0000 0.0000 51815.8045 -110013.9088 297.7861 -161829.7133 -109658.2285 297.9875 61.6457 85.6437 759705.2610 3.1812 2.8980 PRESSURE: 260600 -355.011 -143.129 253.49 -143.129 -35.8032 -17.195 253.49 -17.1954 -66.1943 GPRESSURE: 260600 -268.009 -62.2231 298.059 -67.2239 -68.0578 6.68531 220.445 -131.017 -19.1463 PRESSAVG: 260600 -55.6426 0.267304 14.616 0.267247 84.394 -7.92883 14.616 -7.92887 2.18675 GPRESSAVG: 260600 -56.9999 0.67623 14.8039 0.916361 84.589 -6.52103 17.4413 -7.35345 3.09734 TIMING: 260600 CPU: 819.959, 0.00312822/step Wall: 819.959, 0.00312822/step, 4.1183 hours remaining, 234.996094 MB of memory in use. ENERGY: 260600 4009.7992 20327.5155 14588.8421 257.3612 -203703.3096 2536.4404 0.0000 0.0000 51997.1405 -109986.2107 298.8283 -161983.3513 -109618.6477 298.1008 -152.3363 -118.4042 760046.4357 10.3127 10.2288 PRESSURE: 260800 117.691 15.0493 114.506 15.0488 101.038 328.13 114.507 328.129 -24.2515 GPRESSURE: 260800 62.1814 21.6439 97.4495 18.6245 167.627 287.427 67.2294 243.318 49.8398 PRESSAVG: 260800 -35.919 -15.0078 8.87877 -15.0078 35.0443 38.8954 8.87874 38.8954 -9.4382 GPRESSAVG: 260800 -35.0094 -16.1252 5.9671 -14.8016 34.8517 39.7604 9.20524 33.965 -9.56241 TIMING: 260800 CPU: 820.583, 0.00311823/step Wall: 820.583, 0.00311823/step, 4.10497 hours remaining, 234.996094 MB of memory in use. ENERGY: 260800 3986.4596 20559.0437 14507.8894 250.2073 -204057.9165 2874.2096 0.0000 0.0000 51791.7514 -110088.3556 297.6479 -161880.1069 -109733.3822 297.7077 64.8257 93.2159 758457.1123 -3.4376 -3.2400 PRESSURE: 261000 -151.367 -288.613 187.824 -288.614 306.366 30.0283 187.825 30.0287 -355.143 GPRESSURE: 261000 -130.184 -274.793 228.353 -151.038 335.274 -62.3446 254.101 15.0422 -325.777 PRESSAVG: 261000 -93.0009 -29.7525 16.9217 -29.7525 36.7094 14.9171 16.9217 14.9171 13.864 GPRESSAVG: 261000 -93.5675 -28.7432 19.419 -30.6737 37.1302 13.5476 15.3657 17.5858 13.3499 TIMING: 261000 CPU: 821.206, 0.00311901/step Wall: 821.206, 0.00311901/step, 4.10584 hours remaining, 234.996094 MB of memory in use. ENERGY: 261000 3985.6757 20536.7442 14399.8233 238.2795 -203532.5649 2481.0078 0.0000 0.0000 51918.8714 -109972.1629 298.3785 -161891.0344 -109604.3070 298.1457 -66.7145 -40.2289 760496.6001 -14.1425 -14.3625 PRESSURE: 261200 41.0644 -113.905 -123.262 -113.905 -6.84539 136.509 -123.262 136.51 -59.7514 GPRESSURE: 261200 138.389 -222.418 -137.134 -65.4857 -42.239 200.473 -68.582 44.8632 -42.0068 PRESSAVG: 261200 41.4417 -26.0857 8.78817 -26.0858 63.531 -17.9692 8.78822 -17.9693 -20.862 GPRESSAVG: 261200 42.3277 -28.244 7.97154 -24.3885 63.1837 -19.0599 10.5853 -15.2468 -21.0037 TIMING: 261200 CPU: 821.83, 0.00311868/step Wall: 821.83, 0.00311868/step, 4.10523 hours remaining, 234.996094 MB of memory in use. ENERGY: 261200 3995.3640 20567.1662 14453.6102 255.3744 -203712.1570 2532.2797 0.0000 0.0000 51935.5352 -109972.8274 298.4742 -161908.3626 -109619.3952 298.3411 -8.5108 18.0477 759221.8469 28.0369 28.1692 PRESSURE: 261400 637.504 204.112 -34.2561 204.111 163.216 -138.594 -34.2559 -138.596 298.331 GPRESSURE: 261400 529.76 152.561 -40.339 102.087 290.479 -119.015 13.2518 -100.356 354.408 PRESSAVG: 261400 23.5433 7.92135 16.4837 7.9213 -29.3252 23.2625 16.4837 23.2625 -4.05475 GPRESSAVG: 261400 22.9029 7.99851 16.5386 7.1929 -28.7891 23.9219 16.6075 21.1112 -4.24366 TIMING: 261400 CPU: 822.455, 0.00312291/step Wall: 822.455, 0.00312291/step, 4.11062 hours remaining, 234.996094 MB of memory in use. ENERGY: 261400 3940.5547 20601.9382 14505.4306 240.1708 -203540.9781 2651.1620 0.0000 0.0000 51841.1188 -109760.6030 297.9316 -161601.7218 -109401.7091 298.3799 366.3505 391.5487 759755.8013 -3.2789 -3.3766 PRESSURE: 261600 -107.732 0.0820237 361.806 0.0824232 -5.57318 -115.083 361.806 -115.083 120.532 GPRESSURE: 261600 -5.57597 85.3054 347.582 -12.2032 19.2374 -62.6995 281.139 -121.92 81.9917 PRESSAVG: 261600 -53.9609 -5.34489 14.5226 -5.34494 -10.9829 -22.8655 14.5226 -22.8654 -0.301025 GPRESSAVG: 261600 -53.0664 -2.96487 14.0974 -6.50187 -11.4626 -21.3233 15.7276 -22.3372 -0.371059 TIMING: 261600 CPU: 823.077, 0.00311228/step Wall: 823.077, 0.00311228/step, 4.09645 hours remaining, 234.996094 MB of memory in use. ENERGY: 261600 3942.3180 20517.1584 14543.7713 245.9242 -203805.3012 2625.2257 0.0000 0.0000 51976.6504 -109954.2531 298.7105 -161930.9034 -109601.4088 298.2470 2.4092 31.8844 759326.7816 -21.7483 -21.6334 PRESSURE: 261800 -11.9108 70.7384 180.584 70.7385 138.579 -217.541 180.583 -217.54 187.424 GPRESSURE: 261800 52.5984 58.9897 218.913 -14.2479 133.179 -203.723 143.897 -211.833 221.401 PRESSAVG: 261800 44.2867 -36.9844 -16.3076 -36.9843 -32.2867 4.15718 -16.3075 4.15727 -3.66716 GPRESSAVG: 261800 44.9426 -38.9843 -16.7387 -35.9798 -33.2655 2.48817 -18.2157 3.54847 -3.50158 TIMING: 261800 CPU: 823.703, 0.0031263/step Wall: 823.703, 0.0031263/step, 4.11473 hours remaining, 234.996094 MB of memory in use. ENERGY: 261800 4013.1346 20496.9570 14469.6683 264.2822 -203428.6529 2489.4250 0.0000 0.0000 52055.1021 -109640.0836 299.1614 -161695.1858 -109284.2194 298.7699 104.6974 135.7264 761048.6283 2.7776 2.7251 PRESSURE: 262000 104.62 -128.217 -514.74 -128.217 -224.009 114.597 -514.74 114.598 -52.4973 GPRESSURE: 262000 68.833 -105.052 -507.725 -119.41 -167.165 105.27 -424.622 -47.2731 17.1849 PRESSAVG: 262000 -1.83447 -19.4291 -1.09119 -19.4291 26.2193 -57.7981 -1.09122 -57.7981 -1.21226 GPRESSAVG: 262000 -1.73788 -17.0533 -0.361547 -20.2476 27.253 -57.4689 -1.57644 -55.6486 -2.32472 TIMING: 262000 CPU: 824.327, 0.00312125/step Wall: 824.327, 0.00312125/step, 4.10791 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 262000 3887.8220 20497.6305 14437.4328 240.9364 -203897.0259 2800.2548 0.0000 0.0000 52327.0521 -109705.8973 300.7243 -162032.9494 -109337.2107 299.4306 -57.2952 -27.0490 759897.7829 7.7242 7.7301 PRESSURE: 262200 -188.937 -17.9829 218.344 -17.9822 29.58 -119.952 218.345 -119.954 0.416453 GPRESSURE: 262200 -93.1679 -37.6222 93.4157 -172.934 20.8034 -123.098 187.841 -13.0715 -5.51504 PRESSAVG: 262200 0.210768 -46.3212 3.68247 -46.3212 -12.3845 -20.7736 3.6824 -20.7735 19.4501 GPRESSAVG: 262200 -0.602994 -45.6128 3.65147 -45.6872 -12.2064 -20.371 3.73185 -24.2779 20.3618 TIMING: 262200 CPU: 824.954, 0.00313445/step Wall: 824.954, 0.00313445/step, 4.12511 hours remaining, 234.996094 MB of memory in use. ENERGY: 262200 3988.6965 20597.9285 14417.9514 235.0842 -203304.7211 2427.8677 0.0000 0.0000 51988.1080 -109649.0848 298.7764 -161637.1928 -109286.7364 299.0350 -52.9801 -25.9598 760912.1519 2.4255 2.5175 PRESSURE: 262400 -199.8 62.3432 112.303 62.3426 -146.914 285.389 112.303 285.389 45.4985 GPRESSURE: 262400 -121.748 187.802 108.564 35.9967 -63.5011 333.766 132.287 332.818 -58.9481 PRESSAVG: 262400 -12.7861 -85.4861 54.3834 -85.4862 20.065 -11.3114 54.3834 -11.3114 -14.591 GPRESSAVG: 262400 -12.9282 -89.0909 55.4719 -84.4498 19.2149 -11.3743 54.3247 -10.8483 -14.0304 TIMING: 262400 CPU: 825.577, 0.0031168/step Wall: 825.577, 0.0031168/step, 4.1017 hours remaining, 234.996094 MB of memory in use. ENERGY: 262400 4005.7222 20594.3357 14534.3985 249.1643 -203185.4450 2322.5680 0.0000 0.0000 52148.8286 -109330.4277 299.7000 -161479.2562 -108966.0364 299.7313 -100.4052 -81.3992 759627.8426 -2.4374 -2.5812 PRESSURE: 262600 399.747 -109.852 185.799 -109.853 281.314 183.625 185.8 183.626 -352.552 GPRESSURE: 262600 348.93 -9.8719 147.192 -136.003 389.701 84.12 176.564 188.276 -307.441 PRESSAVG: 262600 35.0331 -29.9514 55.0253 -29.9514 8.82517 -32.109 55.0253 -32.109 14.7353 GPRESSAVG: 262600 33.0895 -29.8837 52.2046 -30.6082 10.3313 -32.3948 56.5975 -32.0797 15.4562 TIMING: 262600 CPU: 826.203, 0.00312813/step Wall: 826.203, 0.00312813/step, 4.11644 hours remaining, 234.996094 MB of memory in use. ENERGY: 262600 3951.1767 20556.0242 14463.4974 255.2054 -203314.1482 2556.4787 0.0000 0.0000 52210.2891 -109321.4766 300.0532 -161531.7657 -108957.8659 299.8370 109.5030 143.7298 759933.5698 19.5312 19.6257 PRESSURE: 262800 406.59 -108.991 126.564 -108.99 88.5243 -81.3143 126.563 -81.3154 -125.52 GPRESSURE: 262800 396.099 -43.1191 155.415 -82.7339 165.917 -36.5874 64.5027 -56.7326 -99.6368 PRESSAVG: 262800 -20.2284 -68.5974 33.3908 -68.5975 -25.5939 -13.7495 33.3907 -13.7496 1.02674 GPRESSAVG: 262800 -19.406 -67.4383 34.3799 -68.4601 -25.8247 -13.4557 32.3544 -11.5387 0.270876 TIMING: 262800 CPU: 826.83, 0.00313894/step Wall: 826.83, 0.00313894/step, 4.1305 hours remaining, 234.996094 MB of memory in use. ENERGY: 262800 3959.0598 20601.1731 14453.2381 269.2981 -203360.5645 2586.1915 0.0000 0.0000 52099.5924 -109392.0115 299.4171 -161491.6039 -109024.8065 299.5151 123.1980 154.1266 760534.6775 -14.9319 -14.9866 PRESSURE: 263000 -84.1596 -113.235 -22.4132 -113.235 334.834 -120.91 -22.4136 -120.91 284.016 GPRESSURE: 263000 9.42618 -78.1427 88.7047 -81.0118 275.935 -56.2407 17.5775 -20.193 339.434 PRESSAVG: 263000 -15.2299 -29.4389 48.8349 -29.4389 -15.1514 -29.4209 48.8349 -29.4209 3.79906 GPRESSAVG: 263000 -13.7423 -28.3504 50.4224 -30.2798 -16.412 -29.6517 49.5558 -31.9642 3.60876 TIMING: 263000 CPU: 827.457, 0.0031304/step Wall: 827.457, 0.0031304/step, 4.11908 hours remaining, 234.996094 MB of memory in use. ENERGY: 263000 3922.6806 20579.4979 14383.1723 268.8529 -202948.8281 2437.8805 0.0000 0.0000 52042.5668 -109314.1770 299.0893 -161356.7438 -108952.7680 299.4079 178.2302 208.2653 761922.4926 -8.8607 -8.8485 PRESSURE: 263200 32.1397 -211.602 134.518 -211.601 -182.895 -187.021 134.518 -187.021 287.394 GPRESSURE: 263200 177.087 -160.742 101.932 -198.668 -149.585 -120.964 167.904 -305.533 178.318 PRESSAVG: 263200 -43.0428 -62.3095 20.7317 -62.3095 10.1518 -20.9938 20.7316 -20.9939 9.40131 GPRESSAVG: 263200 -43.0933 -62.255 21.1224 -61.3136 10.9482 -21.8152 19.2869 -19.3233 8.17047 TIMING: 263200 CPU: 828.08, 0.00311957/step Wall: 828.08, 0.00311957/step, 4.10466 hours remaining, 234.996094 MB of memory in use. ENERGY: 263200 3986.3094 20512.9138 14438.3241 239.4045 -203282.3516 2575.6173 0.0000 0.0000 52118.4220 -109411.3605 299.5253 -161529.7825 -109045.4774 299.3172 45.5464 68.6069 761597.4560 -7.8299 -7.9915 PRESSURE: 263400 -61.9495 -134.987 17.4684 -134.987 -43.1776 25.6377 17.4681 25.6397 -417.943 GPRESSURE: 263400 -73.4891 -244.867 69.1222 -73.7503 28.2338 -7.61478 0.297904 -69.4836 -399.434 PRESSAVG: 263400 -47.9759 -15.9472 2.5405 -15.9471 20.0035 9.77421 2.5405 9.77419 4.92297 GPRESSAVG: 263400 -47.6699 -18.0951 2.27583 -17.0122 19.179 10.4531 4.68334 8.67073 6.24806 TIMING: 263400 CPU: 828.706, 0.00312605/step Wall: 828.706, 0.00312605/step, 4.11301 hours remaining, 234.996094 MB of memory in use. ENERGY: 263400 4098.0910 20462.5055 14520.9853 252.7958 -203423.8210 2547.5292 0.0000 0.0000 52276.7065 -109265.2077 300.4350 -161541.9142 -108901.5438 299.5955 -174.3568 -148.2298 759049.5939 -7.6832 -7.4143 PRESSURE: 263600 385.915 -97.1902 104.401 -97.1898 -100.459 -74.596 104.402 -74.5959 286.962 GPRESSURE: 263600 406.716 -143.322 119.237 -72.3885 1.56144 -34.2544 71.6743 -59.5972 275.798 PRESSAVG: 263600 12.3873 -19.8307 17.083 -19.8307 13.8672 7.12581 17.083 7.12577 -7.14856 GPRESSAVG: 263600 12.9228 -18.5027 17.2893 -20.5784 13.8814 8.28698 15.3458 6.42945 -7.33497 TIMING: 263600 CPU: 829.334, 0.00314223/step Wall: 829.334, 0.00314223/step, 4.13412 hours remaining, 234.996094 MB of memory in use. ENERGY: 263600 4008.3156 20707.7275 14547.8446 249.2921 -203146.4410 2443.2814 0.0000 0.0000 52329.7990 -108860.1808 300.7401 -161189.9798 -108505.1259 300.5066 190.8060 228.0251 761054.0269 6.3687 6.4897 PRESSURE: 263800 -137.584 181.368 109.692 181.369 -132.212 87.8679 109.691 87.8682 -23.2668 GPRESSURE: 263800 -126.283 279.189 122.621 247.372 -110.177 135.599 69.0824 -53.5551 18.1114 PRESSAVG: 263800 3.60581 -25.9354 36.6295 -25.9354 -10.1648 -16.3601 36.6295 -16.36 39.0161 GPRESSAVG: 263800 2.46468 -26.0336 38.1325 -25.2936 -9.79215 -17.5601 37.4452 -16.3717 40.1803 TIMING: 263800 CPU: 829.965, 0.00315487/step Wall: 829.965, 0.00315487/step, 4.15058 hours remaining, 234.996094 MB of memory in use. ENERGY: 263800 3961.5397 20652.3027 14480.1485 255.9184 -203223.0464 2509.3064 0.0000 0.0000 52283.4287 -109080.4020 300.4736 -161363.8307 -108714.6289 300.4864 -97.6873 -72.7828 762195.2612 10.8190 10.9509 PRESSURE: 264000 -0.654941 34.5549 152.608 34.5548 114.848 -118.333 152.608 -118.332 234.341 GPRESSURE: 264000 8.73229 152.401 251.61 22.6597 151.56 -124.598 -1.87054 -55.8012 253.333 PRESSAVG: 264000 -25.9659 -4.72364 -48.6248 -4.72376 24.1533 18.2619 -48.6247 18.262 -25.302 GPRESSAVG: 264000 -26.7035 -4.87727 -51.0535 -2.95229 24.4918 17.851 -46.6697 18.7848 -24.7682 TIMING: 264000 CPU: 830.594, 0.00314264/step Wall: 830.594, 0.00314264/step, 4.13432 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 264000 4016.0499 20516.6124 14510.6369 263.4378 -203527.0455 2638.8184 0.0000 0.0000 52204.6420 -109376.8482 300.0208 -161581.4902 -109016.1257 299.3864 116.1781 137.8749 759443.1757 -9.0382 -8.9933 PRESSURE: 264200 -528.287 100.476 -117.632 100.476 -19.5148 -55.7729 -117.631 -55.7724 -77.0993 GPRESSURE: 264200 -519.344 91.7541 -111.621 -27.4413 27.5632 -101.923 -73.6833 99.537 -52.4776 PRESSAVG: 264200 -13.8246 -40.1127 -8.13026 -40.1127 35.237 -62.5595 -8.13026 -62.5594 24.0971 GPRESSAVG: 264200 -13.4512 -39.1115 -7.79936 -41.0503 35.9369 -61.9118 -10.404 -60.6969 23.3734 TIMING: 264200 CPU: 831.213, 0.0030992/step Wall: 831.213, 0.0030992/step, 4.077 hours remaining, 234.996094 MB of memory in use. ENERGY: 264200 4056.6829 20540.9283 14508.5008 260.8060 -203435.6045 2560.9541 0.0000 0.0000 52095.3860 -109412.3463 299.3929 -161507.7323 -109055.6130 299.4713 -208.3004 -181.4195 761647.2925 15.1698 15.2864 LDB: ============= START OF LOAD BALANCING ============== 843.662 LDB: ============== END OF LOAD BALANCING =============== 843.663 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 843.664 LDB: ============= START OF LOAD BALANCING ============== 843.979 LDB: Largest compute 7076 load 0.036287 is 18.6% of average load 0.194842 LDB: Average compute 0.004397 is 2.3% of average load 0.194842 LDB: TIME 843.982 LOAD: AVG 0.194842 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.055 MB LDB: TIME 843.982 LOAD: AVG 0.194842 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: TIME 843.982 LOAD: AVG 0.194842 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: ============== END OF LOAD BALANCING =============== 843.984 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 843.989 PRESSURE: 264400 -98.7393 45.4416 156.353 45.4419 -210.195 -14.0721 156.353 -14.0729 -421.807 GPRESSURE: 264400 -79.609 102.87 -27.4518 113.751 -237.815 -5.3927 242.4 -144.45 -331.924 PRESSAVG: 264400 -104.463 -16.1936 -25.1234 -16.1935 32.9333 -4.39985 -25.1234 -4.39985 15.7594 GPRESSAVG: 264400 -103.946 -17.3121 -24.9998 -15.0595 32.6864 -3.82764 -24.6654 -7.65762 15.6152 TIMING: 264400 CPU: 831.853, 0.0031996/step Wall: 831.853, 0.0031996/step, 4.2089 hours remaining, 236.664062 MB of memory in use. ENERGY: 264400 3965.5659 20410.5058 14529.4888 250.0948 -203140.3817 2504.5859 0.0000 0.0000 52232.3399 -109247.8007 300.1800 -161480.1405 -108883.2307 299.6526 -243.5802 -216.4492 762053.3991 -18.5902 -18.5480 PRESSURE: 264600 85.9114 -130.245 -123.343 -130.245 97.3415 133.096 -123.342 133.097 252.604 GPRESSURE: 264600 82.5135 -147.053 -7.9739 -124.335 187.157 113.232 -86.2046 -18.6872 272.244 PRESSAVG: 264600 -46.0834 -6.70933 4.8504 -6.70933 38.0124 -35.4316 4.85039 -35.4316 2.42536 GPRESSAVG: 264600 -47.3488 -6.78466 5.44336 -7.83833 39.2414 -36.6403 3.78324 -35.8651 2.24347 TIMING: 264600 CPU: 832.476, 0.00311288/step Wall: 832.476, 0.00311288/step, 4.09465 hours remaining, 236.867188 MB of memory in use. ENERGY: 264600 3984.5602 20442.6612 14473.2742 234.5173 -203312.8573 2735.6540 0.0000 0.0000 52050.3106 -109391.8797 299.1339 -161442.1903 -109024.6103 299.2585 145.2857 180.6383 760354.6135 -1.8819 -1.9546 PRESSURE: 264800 -182.316 94.634 101.172 94.6344 11.793 241.218 101.172 241.217 -28.3895 GPRESSURE: 264800 -92.3755 152.807 127.141 25.1773 12.8923 240.876 158.431 219.62 -41.257 PRESSAVG: 264800 -0.936967 -15.4883 16.8247 -15.4883 -5.68019 -15.2054 16.8247 -15.2053 1.80323 GPRESSAVG: 264800 0.941168 -15.6191 17.7748 -15.1827 -6.84378 -16.6262 15.2943 -11.8599 1.69745 TIMING: 264800 CPU: 833.101, 0.00312632/step Wall: 833.101, 0.00312632/step, 4.11215 hours remaining, 236.867188 MB of memory in use. ENERGY: 264800 3941.9409 20688.6562 14477.0805 235.7958 -203475.9038 2747.2813 0.0000 0.0000 51894.3601 -109490.7889 298.2376 -161385.1490 -109132.1310 299.4779 -66.3043 -40.2467 761405.9639 -1.6046 -1.4017 PRESSURE: 265000 -38.0253 -196.082 90.8065 -196.082 -76.1374 9.04048 90.8064 9.04017 601.197 GPRESSURE: 265000 3.84535 -200.628 25.0381 -109.52 -82.5803 -51.7721 39.1284 -17.4587 656.163 PRESSAVG: 265000 -30.2162 24.6415 18.9332 24.6416 -15.4333 11.0308 18.9331 11.0309 2.0613 GPRESSAVG: 265000 -31.54 25.5377 18.073 25.0685 -15.7867 12.8652 20.7413 8.9803 3.84722 TIMING: 265000 CPU: 833.724, 0.00311605/step Wall: 833.724, 0.00311605/step, 4.09847 hours remaining, 236.867188 MB of memory in use. ENERGY: 265000 3978.3728 20445.3276 14457.2327 266.0563 -203072.2711 2582.6129 0.0000 0.0000 52007.2172 -109335.4517 298.8862 -161342.6689 -108978.5331 299.3335 162.3447 192.4759 761154.3593 -14.5294 -14.4932 PRESSURE: 265200 -35.7121 136.804 192.417 136.804 -9.88836 -80.1856 192.417 -80.1854 168.135 GPRESSURE: 265200 -22.8063 118.564 126.46 80.7551 15.0263 22.1345 184.973 -41.6858 186.59 PRESSAVG: 265200 29.5775 15.8147 29.7615 15.8147 -27.9937 -17.0955 29.7614 -17.0955 2.93156 GPRESSAVG: 265200 29.7935 15.7701 29.6204 15.4163 -27.3302 -16.7252 27.1823 -14.9547 1.36949 TIMING: 265200 CPU: 834.353, 0.00314371/step Wall: 834.353, 0.00314371/step, 4.13468 hours remaining, 236.867188 MB of memory in use. ENERGY: 265200 3974.6914 20524.5189 14491.8833 249.5266 -203145.4676 2407.7069 0.0000 0.0000 51986.9645 -109510.1761 298.7698 -161497.1406 -109137.6820 298.9126 40.8447 59.6034 760043.1708 1.5051 1.2776 PRESSURE: 265400 -89.8013 70.9358 157.593 70.9362 182.693 79.7184 157.594 79.7195 307.624 GPRESSURE: 265400 20.784 27.4234 168.025 15.6742 200.513 163.985 110.978 48.6634 260.05 PRESSAVG: 265400 -16.0554 0.485171 32.505 0.485207 39.2803 -18.3919 32.505 -18.3918 -12.5388 GPRESSAVG: 265400 -14.4851 0.0517804 31.9268 0.174694 38.0638 -18.6797 33.8127 -19.8822 -13.2663 TIMING: 265400 CPU: 834.979, 0.00312874/step Wall: 834.979, 0.00312874/step, 4.11482 hours remaining, 236.867188 MB of memory in use. ENERGY: 265400 3963.0515 20464.6303 14432.4780 250.1790 -203416.2746 2599.3026 0.0000 0.0000 52030.3264 -109676.3068 299.0190 -161706.6332 -109320.1468 298.6578 133.5051 160.4489 760336.0758 3.5620 3.4375 PRESSURE: 265600 -284.803 -94.7876 -94.3543 -94.788 -313.308 -239.335 -94.3538 -239.334 175.78 GPRESSURE: 265600 -281.822 -89.417 -120.863 -124.862 -224.349 -225.866 -78.1311 -266.28 178.158 PRESSAVG: 265600 -36.6861 -28.8176 8.06232 -28.8176 32.2325 11.9092 8.06226 11.9091 -12.1873 GPRESSAVG: 265600 -38.9576 -30.2403 6.74735 -29.7356 33.1986 11.3364 9.40904 13.9197 -11.2373 TIMING: 265600 CPU: 835.603, 0.00312261/step Wall: 835.603, 0.00312261/step, 4.10657 hours remaining, 236.867188 MB of memory in use. ENERGY: 265600 3895.9341 20453.7305 14447.1978 240.6810 -203287.0090 2532.7620 0.0000 0.0000 52158.3277 -109558.3757 299.7546 -161716.7034 -109194.6908 299.1103 -140.7770 -109.3376 761358.9376 -5.5470 -5.6655 PRESSURE: 265800 -29.213 115.671 124.152 115.672 -408.287 49.726 124.152 49.7261 -377.99 GPRESSURE: 265800 19.3503 8.0019 223.176 171.663 -441.35 53.3477 158.501 97.9741 -307.03 PRESSAVG: 265800 -14.3608 -18.2671 -26.6159 -18.2672 22.0211 -8.27057 -26.6159 -8.27054 8.12158 GPRESSAVG: 265800 -14.401 -16.3512 -24.3317 -18.0103 22.3696 -8.10225 -28.7354 -9.64503 8.05566 TIMING: 265800 CPU: 836.236, 0.00316292/step Wall: 836.236, 0.00316292/step, 4.15942 hours remaining, 236.867188 MB of memory in use. ENERGY: 265800 4013.8934 20489.8697 14490.7516 242.1847 -203243.6201 2422.6994 0.0000 0.0000 51945.8130 -109638.4084 298.5333 -161584.2214 -109291.6467 298.8576 -271.8301 -243.0100 761754.1807 5.2606 5.3414 PRESSURE: 266000 -248.456 -205.258 -39.9746 -205.258 -168.344 -127.37 -39.9749 -127.369 -640.639 GPRESSURE: 266000 -118.647 -160.265 -22.844 -159.797 -229.674 -97.4624 -14.383 -173.342 -592.81 PRESSAVG: 266000 26.1893 -41.1173 10.5322 -41.1172 -62.8608 -29.7324 10.5322 -29.7325 -7.07839 GPRESSAVG: 266000 26.8309 -41.7648 9.11673 -38.525 -63.6256 -28.9224 12.3484 -30.4415 -6.93655 TIMING: 266000 CPU: 836.869, 0.00316432/step Wall: 836.869, 0.00316432/step, 4.16109 hours remaining, 236.867188 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: 266000 3991.5288 20385.3828 14494.8103 255.9198 -203129.7020 2432.2470 0.0000 0.0000 51718.6883 -109851.1250 297.2280 -161569.8133 -109499.7203 298.2076 -352.4798 -313.7101 761790.1449 -14.5833 -14.5771 PRESSURE: 266200 97.506 97.8058 -37.5513 97.8058 -110.071 -247.948 -37.5514 -247.949 82.5259 GPRESSURE: 266200 55.5531 151.732 -82.603 38.6982 10.6894 -273.192 31.6407 -126.419 80.452 PRESSAVG: 266200 50.1448 -14.2315 -18.3439 -14.2315 -15.6349 -13.8128 -18.3439 -13.8129 -17.6159 GPRESSAVG: 266200 49.4449 -13.2921 -18.5957 -16.2043 -15.4119 -15.3452 -19.6298 -13.2106 -17.8125 TIMING: 266200 CPU: 837.494, 0.00312511/step Wall: 837.494, 0.00312511/step, 4.10935 hours remaining, 236.867188 MB of memory in use. ENERGY: 266200 3964.8390 20393.4136 14496.1861 233.7974 -203688.3149 2635.8642 0.0000 0.0000 52371.0309 -109593.1837 300.9770 -161964.2146 -109239.2862 298.5596 23.3202 48.8982 759325.5413 5.6314 5.4068 PRESSURE: 266400 9.9092 9.29856 7.41653 9.29894 2.00776 94.7205 7.41649 94.7203 -62.6253 GPRESSURE: 266400 77.4278 -18.436 -69.9676 52.0889 -14.8223 63.7744 4.26706 84.9451 -22.4637 PRESSAVG: 266400 59.8103 -13.669 24.5824 -13.669 -19.9439 -17.5914 24.5825 -17.5914 7.10426 GPRESSAVG: 266400 61.1754 -13.8795 26.5403 -13.6813 -21.1412 -14.2055 23.9483 -19.7798 6.90054 TIMING: 266400 CPU: 838.121, 0.0031369/step Wall: 838.121, 0.0031369/step, 4.12467 hours remaining, 236.867188 MB of memory in use. ENERGY: 266400 4000.7824 20511.9706 14493.3080 253.4029 -203611.2744 2752.8603 0.0000 0.0000 51985.4644 -109613.4858 298.7612 -161598.9501 -109249.7959 298.9074 -16.9028 13.3806 761363.1198 15.6569 15.6449 PRESSURE: 266600 -187.556 -75.7457 70.7325 -75.7452 -20.3865 27.2492 70.7326 27.249 455.947 GPRESSURE: 266600 -80.7863 -35.9294 78.4209 -190.268 -85.5356 79.7819 64.863 -83.6952 485.61 PRESSAVG: 266600 -8.06002 -51.9467 44.5042 -51.9467 -22.3162 -57.0536 44.5043 -57.0535 0.847805 GPRESSAVG: 266600 -9.44227 -51.3785 42.6401 -51.054 -22.1413 -60.3883 45.3578 -55.7304 1.83806 TIMING: 266600 CPU: 838.744, 0.00311395/step Wall: 838.744, 0.00311395/step, 4.09432 hours remaining, 236.867188 MB of memory in use. ENERGY: 266600 3953.0538 20641.6333 14461.8281 245.4246 -203583.7009 2994.3979 0.0000 0.0000 51859.4306 -109427.9325 298.0369 -161287.3631 -109083.6571 298.8807 82.6681 106.4292 761282.4959 -9.8428 -9.9152 PRESSURE: 266800 30.3522 -97.68 26.1369 -97.6798 307.892 -124.059 26.1367 -124.06 -61.9872 GPRESSURE: 266800 114.342 -59.6695 26.5325 -177.54 280.299 -101.531 2.75488 -17.8281 -33.2149 PRESSAVG: 266800 -49.0723 -44.6677 46.8674 -44.6677 19.593 -9.98993 46.8675 -9.98997 -1.17155 GPRESSAVG: 266800 -47.6077 -45.6975 46.4994 -43.406 18.0015 -8.59256 47.3233 -10.4647 -1.33436 TIMING: 266800 CPU: 839.37, 0.00312939/step Wall: 839.37, 0.00312939/step, 4.11445 hours remaining, 236.867188 MB of memory in use. ENERGY: 266800 3912.5603 20533.6919 14533.4439 260.8235 -203114.0363 2402.0634 0.0000 0.0000 51891.8727 -109579.5806 298.2233 -161471.4533 -109222.4749 298.7673 92.0857 120.4754 760916.5980 -10.2170 -10.3135 PRESSURE: 267000 -303.84 0.795656 -173.683 0.794773 64.8424 -157.648 -173.683 -157.649 -117.714 GPRESSURE: 267000 -355.625 -113.923 -240.91 -54.2137 155.726 -165.633 -94.1768 -52.8525 -81.5062 PRESSAVG: 267000 9.02209 -31.5309 -16.7778 -31.531 21.448 -5.54729 -16.7778 -5.54728 12.4218 GPRESSAVG: 267000 7.17209 -29.1812 -16.9931 -34.1653 22.9969 -4.39864 -16.6352 -6.00028 13.2016 TIMING: 267000 CPU: 839.997, 0.00313683/step Wall: 839.997, 0.00313683/step, 4.12406 hours remaining, 236.867188 MB of memory in use. ENERGY: 267000 3852.7152 20640.1031 14560.2686 262.7620 -203342.4647 2501.3589 0.0000 0.0000 52152.2453 -109373.0116 299.7197 -161525.2569 -109002.2111 299.1025 -118.9038 -93.8018 760336.8303 14.2973 14.4569 PRESSURE: 267200 137.482 114.274 -52.8845 114.274 103.388 193.589 -52.8846 193.591 -102.933 GPRESSURE: 267200 158.009 80.1093 -26.5975 142.919 186.044 270.419 -3.60914 222.307 -107.419 PRESSAVG: 267200 -54.1256 -44.4043 17.0359 -44.4043 58.1194 -61.366 17.0359 -61.366 -17.1595 GPRESSAVG: 267200 -53.0059 -45.9856 17.4726 -43.5303 58.4489 -63.3978 15.9321 -60.9797 -18.3176 TIMING: 267200 CPU: 840.626, 0.00314331/step Wall: 840.626, 0.00314331/step, 4.13241 hours remaining, 236.867188 MB of memory in use. ENERGY: 267200 3974.6816 20546.0058 14527.4065 251.5858 -203098.1089 2401.8537 0.0000 0.0000 52058.1919 -109338.3836 299.1791 -161396.5755 -108981.5769 299.1889 45.9789 78.8777 761335.1945 -4.3885 -4.2915 PRESSURE: 267400 -254.09 -0.0958738 -145.013 -0.0952365 41.9234 101.832 -145.014 101.833 -109.199 GPRESSURE: 267400 -291.727 -4.47989 -103.187 -46.8572 100.418 210.597 171.787 145.272 -64.6685 PRESSAVG: 267400 -3.44995 -44.9651 8.23994 -44.9651 11.3478 -14.0055 8.23988 -14.0055 16.9617 GPRESSAVG: 267400 -3.99481 -46.3231 10.1896 -43.9302 11.4979 -14.2891 10.3144 -13.7801 17.5302 TIMING: 267400 CPU: 841.253, 0.00313371/step Wall: 841.253, 0.00313371/step, 4.11962 hours remaining, 236.867188 MB of memory in use. ENERGY: 267400 3968.4327 20465.0700 14507.9273 258.7444 -203082.2457 2588.8815 0.0000 0.0000 51923.7244 -109369.4656 298.4064 -161293.1899 -109007.4677 299.2665 -107.1218 -85.3257 763824.0261 8.2865 8.3444 PRESSURE: 267600 -119.043 -46.0441 -188.237 -46.0451 -258.797 168.838 -188.237 168.838 1.78862 GPRESSURE: 267600 -60.2186 -88.3984 -163.726 -90.4391 -153.508 130.264 -101.459 107.912 -62.6619 PRESSAVG: 267600 -42.3744 -8.86487 14.1561 -8.86494 17.6567 -27.5836 14.156 -27.5836 -17.1787 GPRESSAVG: 267600 -42.7309 -7.33603 13.2642 -11.1112 18.4365 -27.9029 13.7227 -26.547 -17.4102 TIMING: 267600 CPU: 841.88, 0.00313515/step Wall: 841.88, 0.00313515/step, 4.12133 hours remaining, 236.867188 MB of memory in use. ENERGY: 267600 4056.4396 20481.2844 14436.9489 249.9118 -203375.1439 2853.6663 0.0000 0.0000 52011.3168 -109285.5762 298.9098 -161296.8930 -108929.6876 299.0021 -125.3504 -92.1296 761026.5884 -13.9655 -13.9015 PRESSURE: 267800 139.123 -111.829 1.49775 -111.829 95.5499 -152.425 1.49716 -152.426 338.436 GPRESSURE: 267800 241.419 -81.5265 126.921 -103.752 103.193 -144.396 -36.1246 -105.399 320.65 PRESSAVG: 267800 -32.2768 -55.7063 -11.1569 -55.7062 48.9125 -54.785 -11.1568 -54.7851 12.8345 GPRESSAVG: 267800 -32.1159 -55.4266 -11.1858 -56.0083 49.2922 -53.5895 -13.031 -56.704 12.0825 TIMING: 267800 CPU: 842.502, 0.00311346/step Wall: 842.502, 0.00311346/step, 4.09264 hours remaining, 236.867188 MB of memory in use. ENERGY: 267800 4005.1177 20382.2016 14555.8771 257.5516 -203331.7167 2559.7785 0.0000 0.0000 52229.5432 -109341.6470 300.1639 -161571.1902 -108984.1681 299.4802 191.0365 221.7542 760367.1343 9.8234 9.7529 PRESSURE: 268000 -228.611 5.53406 23.5814 5.53372 134.094 -179.888 23.5831 -179.888 -697.669 GPRESSURE: 268000 -194.979 -39.0882 39.7663 61.1625 174.786 -194.236 -15.2484 -189.611 -674.6 PRESSAVG: 268000 -37.1252 -32.9543 -17.5279 -32.9544 60.4972 -74.5757 -17.5279 -74.5758 5.99284 GPRESSAVG: 268000 -37.3596 -31.5012 -19.2432 -32.8998 60.528 -75.8367 -15.0904 -72.4358 6.6247 TIMING: 268000 CPU: 843.129, 0.00313465/step Wall: 843.129, 0.00313465/step, 4.12032 hours remaining, 236.867188 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: 268000 4067.3864 20466.6094 14505.6993 235.3426 -203539.4652 2625.1362 0.0000 0.0000 52165.6086 -109473.6827 299.7965 -161639.2913 -109107.4983 299.1562 -264.0622 -231.5979 761296.7320 9.7883 9.9310 PRESSURE: 268200 63.699 69.1506 70.1056 69.1509 131.738 -294.108 70.1052 -294.109 -18.481 GPRESSURE: 268200 159.163 -2.28291 17.4903 156.371 130.307 -335.813 237.126 -206.1 -44.5062 PRESSAVG: 268200 -27.3112 -49.3595 12.7763 -49.3595 37.8962 -9.57248 12.7763 -9.57244 20.2452 GPRESSAVG: 268200 -27.3749 -51.0084 12.3528 -47.4752 37.7141 -10.0151 11.2416 -7.48542 20.7729 TIMING: 268200 CPU: 843.757, 0.00313618/step Wall: 843.757, 0.00313618/step, 4.12215 hours remaining, 236.867188 MB of memory in use. ENERGY: 268200 3981.8006 20447.2893 14431.1261 247.3263 -203671.9986 2726.1815 0.0000 0.0000 52195.9551 -109642.3197 299.9709 -161838.2747 -109274.4580 298.9136 58.9852 81.6548 760253.5223 10.2767 10.3707 LDB: ============= START OF LOAD BALANCING ============== 856.207 LDB: ============== END OF LOAD BALANCING =============== 856.207 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 856.209 LDB: ============= START OF LOAD BALANCING ============== 856.524 LDB: Largest compute 7026 load 0.034654 is 17.8% of average load 0.194906 LDB: Average compute 0.004386 is 2.3% of average load 0.194906 LDB: TIME 856.527 LOAD: AVG 0.194906 MAX 0.211617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.34 MB LDB: TIME 856.528 LOAD: AVG 0.194906 MAX 0.211617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: TIME 856.528 LOAD: AVG 0.194906 MAX 0.211617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.344 MB LDB: ============== END OF LOAD BALANCING =============== 856.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 856.535 PRESSURE: 268400 -191.909 -5.53334 -70.1745 -5.53247 116.402 72.0365 -70.1747 72.0354 -97.9862 GPRESSURE: 268400 -132.107 30.8326 -200.031 -82.9627 171.132 139.436 -23.5815 22.1987 -121.065 PRESSAVG: 268400 2.26378 -67.1719 -0.222082 -67.1719 19.0126 4.60045 -0.222058 4.60051 5.2832 GPRESSAVG: 268400 1.58858 -67.4053 2.41729 -67.4622 18.5791 6.43038 -0.561425 -0.186915 6.51207 TIMING: 268400 CPU: 844.399, 0.00321114/step Wall: 844.399, 0.00321114/step, 4.22051 hours remaining, 235.253906 MB of memory in use. ENERGY: 268400 3969.0923 20568.6402 14484.2050 259.1578 -203604.5645 2719.3482 0.0000 0.0000 52268.8150 -109335.3061 300.3896 -161604.1211 -108973.7945 299.0974 -57.8311 -27.3469 760428.8184 8.8532 8.8933 PRESSURE: 268600 3.95557 -179.496 -30.9076 -179.496 35.7034 -76.0579 -30.9074 -76.059 -172.808 GPRESSURE: 268600 90.5111 -209.835 38.8514 -199.788 28.3561 9.25021 -109.733 -9.99463 -166.712 PRESSAVG: 268600 -2.48367 -23.8359 45.1087 -23.8358 -1.43675 -24.1914 45.1088 -24.1915 -5.14719 GPRESSAVG: 268600 -2.5755 -24.9994 43.9693 -22.6384 -0.10715 -23.9103 45.0519 -22.6595 -6.54355 TIMING: 268600 CPU: 845.031, 0.00316109/step Wall: 845.031, 0.0031611/step, 4.15456 hours remaining, 235.253906 MB of memory in use. ENERGY: 268600 3980.8840 20424.0033 14540.7919 244.7883 -203022.3537 2552.4065 0.0000 0.0000 52156.0545 -109123.4253 299.7416 -161279.4798 -108759.0244 299.3241 -44.3829 -15.9482 762392.2075 -3.0225 -3.0754 PRESSURE: 268800 40.8252 -108.046 2.13142 -108.046 46.6219 211.695 2.13188 211.696 206.193 GPRESSURE: 268800 184.346 -61.9832 -12.5883 -168.515 51.9659 208.828 93.5182 191.434 129.088 PRESSAVG: 268800 15.676 -17.624 -5.80474 -17.6241 7.43825 -59.4821 -5.80465 -59.4821 10.2872 GPRESSAVG: 268800 16.0472 -17.6497 -7.12836 -20.4224 7.26458 -60.429 -5.39886 -58.7086 10.4507 TIMING: 268800 CPU: 845.659, 0.00314108/step Wall: 845.659, 0.00314108/step, 4.12808 hours remaining, 235.253906 MB of memory in use. ENERGY: 268800 4011.2016 20556.8262 14584.4436 245.4884 -203001.5451 2399.2720 0.0000 0.0000 52219.4115 -108984.9019 300.1057 -161204.3134 -108616.5669 299.9913 97.8801 121.7997 761112.1588 11.1338 11.2542 PRESSURE: 269000 68.7053 87.5694 -106.854 87.5696 -296.656 -11.8429 -106.854 -11.8442 -183.394 GPRESSURE: 269000 115.114 25.3501 -102.137 91.9667 -254.437 -35.9229 -173.861 29.285 -192.15 PRESSAVG: 269000 1.74054 -3.74385 5.20921 -3.74383 2.43669 -47.7468 5.20922 -47.7468 -19.5218 GPRESSAVG: 269000 1.93791 -1.58951 6.61591 -2.83894 2.25471 -47.3462 4.51433 -48.3359 -19.4802 TIMING: 269000 CPU: 846.286, 0.00313536/step Wall: 846.286, 0.00313536/step, 4.12039 hours remaining, 235.253906 MB of memory in use. ENERGY: 269000 4064.9709 20472.4287 14478.4099 248.4390 -203114.3163 2552.5108 0.0000 0.0000 52209.1385 -109088.4185 300.0466 -161297.5570 -108731.5293 300.2943 -137.1148 -110.4907 761459.4387 -5.1149 -5.0959 PRESSURE: 269200 -450.785 -20.1945 -59.7754 -20.1931 -183.936 4.24549 -59.7746 4.24554 -292.942 GPRESSURE: 269200 -300.805 32.9677 7.12466 77.4931 -197.836 93.6377 -2.62911 -17.5234 -339.08 PRESSAVG: 269200 1.52553 2.65819 -13.071 2.65816 -3.271 -35.2221 -13.071 -35.2221 21.0856 GPRESSAVG: 269200 3.12224 0.747787 -12.5756 5.05091 -5.13964 -36.2157 -11.9057 -34.953 20.9034 TIMING: 269200 CPU: 846.909, 0.00311436/step Wall: 846.909, 0.00311436/step, 4.09262 hours remaining, 235.253906 MB of memory in use. ENERGY: 269200 4042.9891 20560.2126 14492.5843 230.4902 -203029.0301 2480.0393 0.0000 0.0000 52263.2555 -108959.4591 300.3576 -161222.7146 -108607.6611 299.9669 -309.2208 -279.2405 763033.1520 6.4467 6.2953 PRESSURE: 269400 -23.8695 190.433 75.1977 190.433 -3.25973 -235.527 75.1972 -235.528 172.557 GPRESSURE: 269400 65.4343 166.269 6.1942 197.394 24.6606 -245.883 -12.3143 -177.445 139.097 PRESSAVG: 269400 -44.0509 -26.895 -29.5476 -26.895 74.0263 -58.3809 -29.5476 -58.3809 -32.6398 GPRESSAVG: 269400 -45.4023 -26.4551 -30.1082 -27.1791 74.7551 -56.4566 -29.8986 -59.5314 -32.4177 TIMING: 269400 CPU: 847.536, 0.00313219/step Wall: 847.536, 0.00313219/step, 4.11587 hours remaining, 235.253906 MB of memory in use. ENERGY: 269400 3956.5466 20293.9320 14498.9925 251.3948 -202946.2408 2507.6844 0.0000 0.0000 52469.8057 -108967.8846 301.5447 -161437.6904 -108599.4842 299.9381 48.4758 76.3974 759786.2134 -0.8882 -1.0216 PRESSURE: 269600 -261.648 -16.2077 144.481 -16.2083 -170.043 -357.27 144.48 -357.27 49.52 GPRESSURE: 269600 -88.3616 58.0551 165.259 -117.408 -254.347 -402.427 154.324 -233.577 51.814 PRESSAVG: 269600 -25.985 -34.9568 -11.924 -34.9568 3.5917 53.5542 -11.9241 53.5542 -2.72547 GPRESSAVG: 269600 -23.9969 -34.9748 -10.5952 -35.9399 2.53991 52.1967 -14.2853 55.3209 -3.53259 TIMING: 269600 CPU: 848.158, 0.00311165/step Wall: 848.158, 0.00311165/step, 4.08871 hours remaining, 235.253906 MB of memory in use. ENERGY: 269600 3980.0518 20468.0785 14380.8535 229.0755 -202813.7648 2562.8858 0.0000 0.0000 52106.6030 -109086.2167 299.4574 -161192.8197 -108721.9995 299.8603 -127.3901 -96.9649 761315.8463 -8.3729 -8.3299 PRESSURE: 269800 -374.822 153.901 -87.3129 153.902 57.1175 12.9018 -87.3122 12.902 -268.43 GPRESSURE: 269800 -304.39 88.2546 -96.6399 227.948 17.5655 -125.844 -38.2229 17.9473 -227.687 PRESSAVG: 269800 8.87483 -3.63517 6.16782 -3.63513 -24.9973 3.44822 6.16789 3.4482 13.5905 GPRESSAVG: 269800 8.58247 -4.26736 5.6738 -5.49856 -24.6055 3.55305 8.65957 2.88348 12.9532 TIMING: 269800 CPU: 848.787, 0.00314453/step Wall: 848.787, 0.00314453/step, 4.13174 hours remaining, 235.253906 MB of memory in use. ENERGY: 269800 3998.0934 20486.5996 14576.1698 244.9743 -202753.6387 2085.4103 0.0000 0.0000 52266.0022 -109096.3891 300.3734 -161362.3913 -108728.2532 299.8811 -195.3780 -171.5036 761075.7161 -0.8440 -1.0233 PRESSURE: 270000 -35.0499 33.4652 -100.485 33.4647 -187.523 114.745 -100.485 114.745 -112.015 GPRESSURE: 270000 -17.0656 14.4965 -55.0279 126.077 -157.581 69.2378 -98.6011 5.54683 -70.485 PRESSAVG: 270000 15.8923 -7.0672 -44.8526 -7.06721 54.8196 -15.9083 -44.8526 -15.9083 21.4204 GPRESSAVG: 270000 13.2867 -5.63706 -46.9369 -5.56173 55.9125 -14.6634 -46.1113 -17.1378 23.7143 TIMING: 270000 CPU: 849.419, 0.00315884/step Wall: 849.419, 0.00315884/step, 4.15037 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 270000 4026.1706 20373.4051 14435.8681 248.8876 -203204.0418 2585.2494 0.0000 0.0000 52374.9425 -109159.5185 300.9995 -161534.4610 -108792.3553 300.1715 -111.5296 -81.7107 761577.0199 30.7108 30.9712 PRESSURE: 270200 -119.429 -148.726 51.4751 -148.725 -183.587 -209.528 51.4751 -209.527 196.884 GPRESSURE: 270200 -92.9766 -82.3744 43.3204 -165.75 -141.937 -148.223 29.3048 -238.286 218.902 PRESSAVG: 270200 37.2887 -3.61341 -19.9984 -3.61344 -15.678 31.8568 -19.9983 31.8568 -6.6227 GPRESSAVG: 270200 38.3751 -3.14049 -19.0522 -4.59023 -16.6693 30.1963 -21.2013 32.1482 -6.06772 TIMING: 270200 CPU: 850.048, 0.00314473/step Wall: 850.048, 0.00314473/step, 4.13166 hours remaining, 235.253906 MB of memory in use. ENERGY: 270200 3947.8814 20450.9995 14507.5087 253.6018 -203053.1217 2565.8678 0.0000 0.0000 52199.1067 -109128.1559 299.9890 -161327.2626 -108755.4696 300.2355 -35.3774 -5.3371 762502.5438 4.9960 5.2127 PRESSURE: 270400 -81.8381 54.9091 14.2079 54.9089 -125.169 -176.245 14.2087 -176.245 -35.4036 GPRESSURE: 270400 -48.8896 -64.434 14.2635 -10.5695 -165.676 -148.637 -57.135 -53.5465 23.5733 PRESSAVG: 270400 -17.04 -18.2433 -41.4776 -18.2432 37.9248 -7.07234 -41.4777 -7.07236 19.6832 GPRESSAVG: 270400 -16.6587 -17.475 -42.5008 -16.6737 38.9009 -5.38083 -38.7797 -6.36284 18.3444 TIMING: 270400 CPU: 850.675, 0.00313763/step Wall: 850.675, 0.00313763/step, 4.12215 hours remaining, 235.253906 MB of memory in use. ENERGY: 270400 3987.4274 20328.6682 14580.1015 240.3873 -203138.1432 2377.0492 0.0000 0.0000 52213.2131 -109411.2964 300.0701 -161624.5095 -109033.2854 299.5722 -80.8036 -63.6641 759691.8854 13.5227 13.5288 PRESSURE: 270600 -61.0256 -127.572 -68.2862 -127.571 766.229 -93.8255 -68.2856 -93.8268 -236.69 GPRESSURE: 270600 -23.0106 -130.883 -108.197 -150.416 731.185 -102.518 -23.1637 -66.8762 -163.689 PRESSAVG: 270600 17.4076 -58.1188 -5.81497 -58.1188 2.34141 -43.2098 -5.81491 -43.2098 -15.5553 GPRESSAVG: 270600 17.549 -59.3577 -4.40841 -58.6785 1.69824 -43.7009 -6.49525 -41.5437 -15.7952 TIMING: 270600 CPU: 851.306, 0.00315254/step Wall: 851.306, 0.00315254/step, 4.14156 hours remaining, 235.253906 MB of memory in use. ENERGY: 270600 4026.7949 20680.9304 14549.6789 255.0789 -203477.6545 2688.2604 0.0000 0.0000 51848.1539 -109428.7571 297.9721 -161276.9111 -109069.6996 299.0314 156.1711 181.4950 759747.5433 1.3979 1.1507 PRESSURE: 270800 -72.7639 147.981 14.639 147.98 -364.05 33.2695 14.6387 33.2695 -170.146 GPRESSURE: 270800 55.2908 -16.9651 34.1867 95.1601 -354.319 80.3541 89.0154 175.304 -243.405 PRESSAVG: 270800 -46.9741 -42.4624 5.64793 -42.4624 23.1947 7.24127 5.64793 7.24123 -14.0679 GPRESSAVG: 270800 -47.3104 -41.6022 4.86022 -43.8756 23.5534 7.10169 4.37186 5.72044 -14.9627 TIMING: 270800 CPU: 851.938, 0.00316024/step Wall: 851.938, 0.00316024/step, 4.15151 hours remaining, 235.253906 MB of memory in use. ENERGY: 270800 3995.1441 20555.3603 14515.8873 246.5845 -203494.1010 2972.4778 0.0000 0.0000 51716.7366 -109491.9104 297.2168 -161208.6470 -109132.1414 299.1424 -202.3199 -180.8113 762257.7086 -12.6157 -12.9065 PRESSURE: 271000 -105.162 -111.301 74.9814 -111.301 -170.646 183.206 74.9823 183.205 126.412 GPRESSURE: 271000 -201.759 -131.707 55.1363 -157.957 -25.1357 208.122 44.4224 255.788 165.115 PRESSAVG: 271000 -27.8937 -79.4283 -77.0468 -79.4284 -4.69126 -30.6534 -77.0468 -30.6534 -12.8277 GPRESSAVG: 271000 -27.9357 -81.3895 -76.7124 -79.9026 -4.26497 -29.5364 -75.2515 -32.3245 -12.6902 TIMING: 271000 CPU: 852.569, 0.00315435/step Wall: 852.569, 0.00315435/step, 4.14359 hours remaining, 235.253906 MB of memory in use. ENERGY: 271000 3970.3992 20555.1100 14534.2237 247.1408 -203616.0745 2821.9860 0.0000 0.0000 52028.3186 -109458.8961 299.0075 -161487.2148 -109102.1455 299.1295 -49.7985 -20.5932 761865.3740 -15.1376 -14.9636 PRESSURE: 271200 -116.48 -11.3741 134.422 -11.3749 -92.2309 108.504 134.422 108.504 -287.742 GPRESSURE: 271200 -51.4601 -0.0848138 125.328 -57.1109 -31.0648 177.613 155.58 209.739 -335.426 PRESSAVG: 271200 -52.7564 -29.1645 24.0191 -29.1646 16.1533 20.1843 24.019 20.1842 7.75512 GPRESSAVG: 271200 -52.4851 -27.8762 22.9981 -27.0004 15.9059 18.7683 20.7588 21.5772 7.11756 TIMING: 271200 CPU: 853.195, 0.00313343/step Wall: 853.195, 0.00313343/step, 4.11594 hours remaining, 235.253906 MB of memory in use. ENERGY: 271200 3986.1250 20413.7848 14471.1035 233.4436 -202983.2855 2338.4420 0.0000 0.0000 51900.6015 -109639.7851 298.2735 -161540.3866 -109270.2593 299.0251 -165.4844 -139.3168 760890.9242 -9.6160 -9.8206 PRESSURE: 271400 -112.488 -7.3964 28.1768 -7.39489 95.3123 -55.0064 28.1771 -55.0065 -141.259 GPRESSURE: 271400 17.4822 -47.3249 92.8938 25.3945 41.8025 -63.4919 125.964 -50.1184 -126.279 PRESSAVG: 271400 -30.154 -56.5797 5.04933 -56.5796 32.3188 3.8225 5.04935 3.82256 -11.8379 GPRESSAVG: 271400 -30.8742 -57.1974 4.75803 -55.8184 31.9614 4.04161 7.0159 4.09845 -10.0842 TIMING: 271400 CPU: 853.819, 0.00311895/step Wall: 853.819, 0.00311895/step, 4.09674 hours remaining, 235.253906 MB of memory in use. ENERGY: 271400 3959.8423 20453.9039 14492.9414 238.7429 -203331.9947 2713.8910 0.0000 0.0000 51903.0175 -109569.6556 298.2874 -161472.6731 -109210.5034 298.4856 -52.8113 -22.3315 761273.1751 -3.2243 -2.9990 PRESSURE: 271600 -535.17 -25.7237 64.3364 -25.7244 -51.0954 178.21 64.3367 178.21 211.449 GPRESSURE: 271600 -403.154 -46.8495 80.4917 -38.2401 -51.3094 163.073 26.3531 176.448 174.571 PRESSAVG: 271600 -21.2201 -37.5799 -6.46313 -37.5799 -11.7945 23.0086 -6.46312 23.0086 -3.31096 GPRESSAVG: 271600 -20.1732 -35.8618 -4.91242 -39.6113 -12.4095 24.5083 -7.46465 20.5815 -3.42573 TIMING: 271600 CPU: 854.446, 0.00313637/step Wall: 854.446, 0.00313637/step, 4.11945 hours remaining, 235.253906 MB of memory in use. ENERGY: 271600 3895.8336 20394.7833 14534.1773 247.3425 -203031.1910 2216.7714 0.0000 0.0000 52138.8449 -109603.4379 299.6427 -161742.2828 -109242.1263 298.5156 -124.9390 -93.2977 762067.2790 -12.1085 -12.0028 PRESSURE: 271800 333.903 -356.316 159.402 -356.317 -113.563 149.548 159.402 149.549 -192.033 GPRESSURE: 271800 295.084 -263.335 184.402 -225.959 -59.9771 109.503 -34.9978 77.3441 -100.603 PRESSAVG: 271800 13.6859 -62.268 18.1335 -62.268 -14.5858 27.5806 18.1335 27.5807 4.20204 GPRESSAVG: 271800 13.6412 -63.9305 18.8015 -60.2257 -14.283 27.3008 15.6548 28.7696 4.07236 TIMING: 271800 CPU: 855.075, 0.00314434/step Wall: 855.075, 0.00314434/step, 4.12974 hours remaining, 235.253906 MB of memory in use. ENERGY: 271800 3994.6186 20385.8004 14601.9230 251.8419 -203790.8573 2822.8864 0.0000 0.0000 52112.7381 -109621.0489 299.4926 -161733.7870 -109260.6608 298.8726 9.4357 44.8348 760035.9201 1.1007 1.1435 PRESSURE: 272000 -120.613 231.421 79.5441 231.421 -565.11 8.49794 79.5447 8.49768 -153.932 GPRESSURE: 272000 -127.569 190.499 101.949 236.205 -503.256 -71.2299 17.7918 33.1313 -134.677 PRESSAVG: 272000 44.484 -7.68764 21.3467 -7.6877 -30.167 -35.3866 21.3468 -35.3866 -1.64826 GPRESSAVG: 272000 44.3678 -5.6181 20.9 -10.2502 -31.4522 -37.4705 23.0427 -35.8723 -0.560205 TIMING: 272000 CPU: 855.704, 0.00314255/step Wall: 855.704, 0.00314255/step, 4.12722 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 272000 3949.4329 20548.8284 14571.0168 279.7027 -203451.2967 2675.3840 0.0000 0.0000 52001.0608 -109425.8711 298.8508 -161426.9319 -109067.3958 299.2825 -279.8849 -255.1671 761842.1876 4.2229 4.1185 PRESSURE: 272200 -214.309 -90.5414 -77.6009 -90.5411 -152.934 268.57 -77.6014 268.571 -82.698 GPRESSURE: 272200 -214.229 -172.795 -60.9552 -46.0674 -77.2029 277.715 30.3027 302.568 -73.982 PRESSAVG: 272200 51.0583 -43.6937 10.6653 -43.6937 -53.1824 47.2809 10.6653 47.2809 16.0452 GPRESSAVG: 272200 50.3315 -46.1182 10.4619 -40.9726 -52.4972 48.3486 10.6156 47.41 16.0103 TIMING: 272200 CPU: 856.333, 0.00314588/step Wall: 856.333, 0.00314588/step, 4.13142 hours remaining, 235.253906 MB of memory in use. ENERGY: 272200 4011.7329 20484.9253 14516.5210 261.5536 -203384.3998 2658.2330 0.0000 0.0000 52085.9170 -109365.5169 299.3385 -161451.4340 -109006.7355 299.3703 -149.9805 -121.8045 762567.8240 4.6403 4.6149 LDB: ============= START OF LOAD BALANCING ============== 868.786 LDB: ============== END OF LOAD BALANCING =============== 868.786 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 868.788 LDB: ============= START OF LOAD BALANCING ============== 869.108 LDB: Largest compute 7060 load 0.036236 is 18.6% of average load 0.194994 LDB: Average compute 0.004397 is 2.3% of average load 0.194994 LDB: TIME 869.111 LOAD: AVG 0.194994 MAX 0.213144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.414 MB LDB: TIME 869.112 LOAD: AVG 0.194994 MAX 0.213144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: TIME 869.112 LOAD: AVG 0.194994 MAX 0.213144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.414 MB LDB: ============== END OF LOAD BALANCING =============== 869.114 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 869.118 Info: useSync: 0 useProxySync: 0 PRESSURE: 272400 -38.541 57.9857 36.6722 57.985 -362.219 99.831 36.673 99.8312 -120.945 GPRESSURE: 272400 -157.961 106.764 0.610581 139.841 -258.867 69.2156 79.1346 76.0783 -31.9947 PRESSAVG: 272400 76.8294 -73.4628 2.91304 -73.4628 -28.7819 20.4555 2.91311 20.4555 34.2427 GPRESSAVG: 272400 76.711 -71.6846 1.99127 -73.7657 -28.941 19.7855 5.07806 22.036 34.0866 TIMING: 272400 CPU: 856.982, 0.00324751/step Wall: 856.982, 0.00324751/step, 4.2647 hours remaining, 234.996094 MB of memory in use. ENERGY: 272400 3942.2027 20663.0255 14467.5428 256.7815 -203178.0811 2427.7797 0.0000 0.0000 52166.4146 -109254.3343 299.8011 -161420.7489 -108882.4946 299.7149 -173.9015 -149.6077 761995.9306 27.4301 27.2855 PRESSURE: 272600 -56.8259 -105.301 177.801 -105.302 -273.556 -225.544 177.801 -225.543 -53.5726 GPRESSURE: 272600 85.8251 -78.9174 236.629 -125.481 -319.28 -245.133 197.593 -251.007 -50.9316 PRESSAVG: 272600 21.6739 -38.5529 6.01467 -38.5529 -23.5552 32.1835 6.01465 32.1835 8.83887 GPRESSAVG: 272600 23.0313 -38.6028 7.60373 -40.6946 -23.8766 33.4699 4.00857 29.9996 7.96158 TIMING: 272600 CPU: 857.617, 0.00317107/step Wall: 857.617, 0.00317107/step, 4.16414 hours remaining, 234.996094 MB of memory in use. ENERGY: 272600 3990.0136 20503.8649 14445.8376 263.3581 -203024.6523 2577.0777 0.0000 0.0000 51832.5749 -109411.9255 297.8825 -161244.5004 -109052.2450 299.0814 -127.9848 -94.7956 762349.1007 2.3192 2.3721 PRESSURE: 272800 -158.825 -83.6877 77.6956 -83.6877 -422.262 269.019 77.6971 269.019 134.299 GPRESSURE: 272800 -1.85303 -16.1685 103.004 21.7982 -479.29 328.692 101.869 141.71 126.324 PRESSAVG: 272800 25.8188 -29.8779 13.189 -29.878 -21.4299 -14.2344 13.189 -14.2344 1.16226 GPRESSAVG: 272800 25.3786 -28.4023 12.6381 -29.6595 -19.9078 -16.0038 15.0932 -12.1999 0.781203 TIMING: 272800 CPU: 858.247, 0.00315362/step Wall: 858.247, 0.00315362/step, 4.14105 hours remaining, 234.996094 MB of memory in use. ENERGY: 272800 3961.7706 20441.7302 14514.0179 258.0241 -202567.6063 1912.7881 0.0000 0.0000 51963.6408 -109515.6346 298.6358 -161479.2754 -109164.2242 298.3426 -148.9291 -118.2729 760750.0017 1.8504 2.0840 PRESSURE: 273000 -49.0345 268.507 337.712 268.508 208.803 60.202 337.713 60.2011 -11.5034 GPRESSURE: 273000 -4.60143 276.031 280.604 293.881 269.997 37.6896 276.67 40.2464 -29.2003 PRESSAVG: 273000 -14.8722 5.08703 18.0794 5.08695 22.4968 0.667356 18.0795 0.667334 -25.8641 GPRESSAVG: 273000 -15.5217 3.13584 18.62 6.16379 21.1259 3.31787 18.2081 -1.74696 -24.3251 TIMING: 273000 CPU: 858.879, 0.00315871/step Wall: 858.879, 0.00315871/step, 4.14757 hours remaining, 234.996094 MB of memory in use. ENERGY: 273000 4018.3699 20367.0595 14435.1624 259.6665 -203246.9640 2659.7533 0.0000 0.0000 52057.3478 -109449.6046 299.1743 -161506.9524 -109094.3787 298.7792 49.4217 78.7318 761328.9222 -6.0798 -6.2403 PRESSURE: 273200 121.014 -75.0453 6.83848 -75.0449 -42.391 -169.676 6.83816 -169.675 -113.332 GPRESSURE: 273200 65.2646 -121.588 42.466 -2.46244 77.4889 -118.608 55.4538 -214.633 -82.1461 PRESSAVG: 273200 -31.329 -38.4868 0.88511 -38.4868 32.6954 -52.5896 0.88506 -52.5895 2.65075 GPRESSAVG: 273200 -31.8713 -38.793 1.44615 -37.296 33.3057 -53.7663 -0.907139 -51.0139 2.63323 TIMING: 273200 CPU: 859.503, 0.00312227/step Wall: 859.503, 0.00312227/step, 4.09955 hours remaining, 234.996094 MB of memory in use. ENERGY: 273200 4013.7227 20509.4780 14485.6088 273.9583 -203302.2315 2674.4563 0.0000 0.0000 51949.7166 -109395.2908 298.5557 -161345.0074 -109035.8065 298.9406 -11.5697 20.2025 760914.1347 1.3390 1.3559 PRESSURE: 273400 154.254 122.979 -100.488 122.979 -108.992 67.3712 -100.488 67.3715 -97.8874 GPRESSURE: 273400 204.29 71.5027 -40.6484 75.9459 -136.733 111.486 -120.028 124.043 -44.7201 PRESSAVG: 273400 -28.2269 -31.1512 12.6523 -31.1512 27.7904 -15.7386 12.6523 -15.7385 9.16672 GPRESSAVG: 273400 -27.4078 -31.899 12.0547 -32.245 27.7929 -13.8018 13.214 -17.9305 8.74737 TIMING: 273400 CPU: 860.131, 0.00313912/step Wall: 860.131, 0.00313912/step, 4.12149 hours remaining, 234.996094 MB of memory in use. ENERGY: 273400 3987.4837 20306.8307 14494.2319 257.1047 -203231.5224 2389.2139 0.0000 0.0000 52178.0995 -109618.5580 299.8683 -161796.6575 -109248.3853 298.7287 -17.5416 7.6121 760076.3339 2.9101 3.0442 PRESSURE: 273600 44.0853 49.2894 22.2465 49.289 459.196 -118.405 22.248 -118.405 2.93746 GPRESSURE: 273600 152.997 -10.5385 5.14156 47.2362 405.777 -116.57 -89.814 -22.584 31.9524 PRESSAVG: 273600 26.3283 -28.7865 -19.4913 -28.7865 -33.1214 26.7739 -19.4912 26.7739 -10.7171 GPRESSAVG: 273600 27.0831 -28.8618 -19.1773 -29.6624 -32.9289 24.9886 -17.7624 31.4362 -11.4835 TIMING: 273600 CPU: 860.76, 0.00314571/step Wall: 860.76, 0.00314571/step, 4.12997 hours remaining, 234.996094 MB of memory in use. ENERGY: 273600 4012.8363 20467.4837 14471.7115 246.5294 -203193.1930 2724.5207 0.0000 0.0000 51709.9276 -109560.1839 297.1777 -161270.1115 -109202.0075 298.8517 168.7397 196.9088 760274.0250 -5.8367 -5.7764 PRESSURE: 273800 88.0491 -2.20271 91.1148 -2.20387 -49.2451 -157.529 91.1148 -157.528 298.523 GPRESSURE: 273800 162.885 28.1425 62.7913 107.174 -93.0352 -163.841 86.6152 -228.316 354.592 PRESSAVG: 273800 -15.3924 -30.5126 40.6595 -30.5126 22.2028 38.7545 40.6595 38.7544 3.65879 GPRESSAVG: 273800 -16.3638 -29.3832 40.3352 -30.8462 22.4208 39.0049 38.1214 37.2491 4.27601 TIMING: 273800 CPU: 861.386, 0.00312702/step Wall: 861.386, 0.00312702/step, 4.10525 hours remaining, 234.996094 MB of memory in use. ENERGY: 273800 3970.2723 20222.0227 14467.1385 250.9095 -203192.0280 2583.4176 0.0000 0.0000 52129.6650 -109568.6023 299.5899 -161698.2673 -109199.8181 299.4421 112.4423 141.4807 760526.9925 3.4897 3.4443 PRESSURE: 274000 -267.397 -173.659 27.5503 -173.659 31.324 52.6439 27.5504 52.6438 445.978 GPRESSURE: 274000 -145.588 -217.919 19.2208 -125.597 35.4753 39.9675 38.5349 48.873 428.437 PRESSAVG: 274000 -77.7173 -0.528393 41.1072 -0.528378 37.7403 32.3653 41.1073 32.3654 -1.07388 GPRESSAVG: 274000 -76.092 -1.54258 42.0758 0.348513 35.4185 32.4592 42.7365 29.5309 -0.0990937 TIMING: 274000 CPU: 862.014, 0.00314162/step Wall: 862.014, 0.00314162/step, 4.12425 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 274000 3966.7603 20402.8200 14413.3135 246.7431 -203249.1578 2488.7658 0.0000 0.0000 52048.4659 -109682.2892 299.1232 -161730.7551 -109318.8104 299.3773 69.9683 106.1082 761046.2772 -13.6836 -13.5909 PRESSURE: 274200 193.078 -244.625 68.9047 -244.626 -15.8944 205.923 68.9043 205.923 159.34 GPRESSURE: 274200 185.657 -309.988 110.692 -154.031 32.6493 358.868 85.024 153.523 214.811 PRESSAVG: 274200 -75.965 -41.2592 91.7224 -41.2592 87.2936 16.0015 91.7224 16.0015 17.9713 GPRESSAVG: 274200 -77.6795 -40.7019 90.3668 -40.4514 88.8868 15.8181 91.5269 16.5544 17.4219 TIMING: 274200 CPU: 862.642, 0.00313864/step Wall: 862.642, 0.00313864/step, 4.12016 hours remaining, 234.996094 MB of memory in use. ENERGY: 274200 3906.3173 20539.3215 14471.9108 234.4208 -203296.1553 2502.2995 0.0000 0.0000 51862.2546 -109779.6309 298.0531 -161641.8855 -109418.7135 298.6544 112.1747 144.3723 759288.1194 9.7666 9.5431 PRESSURE: 274400 -126.771 50.9789 20.1017 50.9788 -67.8248 -30.2862 20.1016 -30.2862 -179.058 GPRESSURE: 274400 -142.31 166.806 86.7311 -22.8746 41.1659 34.1385 52.0255 26.5668 -190.561 PRESSAVG: 274400 -47.3212 -13.5538 42.287 -13.5538 47.0321 -2.54425 42.2871 -2.5442 -14.9303 GPRESSAVG: 274400 -46.1281 -14.5503 42.7422 -14.3939 47.2182 -3.65879 42.0091 -1.60934 -15.9624 TIMING: 274400 CPU: 863.272, 0.0031496/step Wall: 863.272, 0.0031496/step, 4.13437 hours remaining, 234.996094 MB of memory in use. ENERGY: 274400 4026.9484 20478.1302 14569.3289 244.8978 -203618.6193 2609.3352 0.0000 0.0000 52105.8151 -109584.1637 299.4528 -161689.9788 -109227.5607 298.4215 -124.5513 -97.2351 759209.4671 -5.0732 -4.9574 PRESSURE: 274600 -250.505 -79.7118 25.7655 -79.711 -229.838 75.7693 25.7659 75.7691 -214.634 GPRESSURE: 274600 -213.27 -193.883 94.6931 -31.5513 -238.149 58.0685 -26.9383 74.6074 -173.35 PRESSAVG: 274600 -59.5489 18.4502 -7.72219 18.4502 50.8716 -15.9086 -7.72222 -15.9087 -1.42691 GPRESSAVG: 274600 -60.4811 17.6648 -8.03384 17.9685 50.9244 -14.8362 -7.08904 -16.4807 -0.868006 TIMING: 274600 CPU: 863.898, 0.00312845/step Wall: 863.898, 0.00312845/step, 4.10644 hours remaining, 234.996094 MB of memory in use. ENERGY: 274600 3916.2096 20569.6663 14508.3438 242.8936 -203507.6281 2595.9447 0.0000 0.0000 51927.0868 -109747.4832 298.4257 -161674.5701 -109376.6723 298.6714 -231.6588 -208.2565 760606.6316 -3.3681 -3.4749 PRESSURE: 274800 -152.457 -199.186 -50.9315 -199.186 102.82 -39.8479 -50.9319 -39.8477 301.389 GPRESSURE: 274800 -34.7628 -123.824 -62.2063 -239.925 77.0183 -109.95 1.59858 -25.899 286.942 PRESSAVG: 274800 -63.0741 11.8524 8.52712 11.8525 36.9163 44.0543 8.5272 44.0543 -22.2608 GPRESSAVG: 274800 -62.2834 15.7452 9.78017 11.1014 37.0548 46.2184 6.67838 44.7011 -22.8361 TIMING: 274800 CPU: 864.526, 0.00314285/step Wall: 864.526, 0.00314286/step, 4.12517 hours remaining, 234.996094 MB of memory in use. ENERGY: 274800 3901.2104 20499.9386 14536.0904 251.4209 -203563.0012 2679.9453 0.0000 0.0000 52093.7040 -109600.6916 299.3832 -161694.3956 -109239.6728 298.9842 83.9175 109.7324 759039.1370 -16.1396 -16.0216 PRESSURE: 275000 -53.0469 -230.575 -165.555 -230.575 -382.368 -166.813 -165.555 -166.812 -10.5739 GPRESSURE: 275000 -89.728 -195.612 -186.897 -104.993 -300.585 -141.772 -84.4193 -196.654 46.758 PRESSAVG: 275000 26.1321 -44.5081 18.5906 -44.5081 -26.4937 39.198 18.5906 39.1979 1.19478 GPRESSAVG: 275000 25.4787 -46.9346 19.9662 -44.0027 -27.0033 35.888 20.8955 39.8052 2.19006 TIMING: 275000 CPU: 865.153, 0.00313492/step Wall: 865.153, 0.00313492/step, 4.11459 hours remaining, 234.996094 MB of memory in use. ENERGY: 275000 4087.4478 20460.4025 14497.1023 236.4093 -203334.9821 2511.1925 0.0000 0.0000 52098.0444 -109444.3833 299.4082 -161542.4277 -109089.0355 299.2546 -148.6631 -114.5184 758441.9832 0.2777 0.2218 PRESSURE: 275200 -8.68546 -95.6752 127.255 -95.6746 -168.284 44.2831 127.255 44.283 -347.384 GPRESSURE: 275200 -7.12256 -224.929 85.242 -273.168 -131.479 85.9701 100.811 60.2245 -300.141 PRESSAVG: 275200 46.6313 -75.3624 37.6521 -75.3624 -83.4813 75.8808 37.6521 75.8808 -3.77945 GPRESSAVG: 275200 47.4033 -74.8613 35.2738 -74.6779 -84.4224 78.503 37.01 75.315 -3.72178 TIMING: 275200 CPU: 865.782, 0.00314414/step Wall: 865.782, 0.00314414/step, 4.12651 hours remaining, 234.996094 MB of memory in use. ENERGY: 275200 4044.3708 20447.6986 14431.2238 237.1120 -203369.6552 2428.3830 0.0000 0.0000 52202.9203 -109577.9467 300.0109 -161780.8670 -109199.6633 299.2195 -174.7843 -146.2472 759957.0406 -13.5432 -13.5803 PRESSURE: 275400 -305.558 61.2428 103.342 61.243 -79.8244 -172.088 103.341 -172.088 -206.232 GPRESSURE: 275400 -319.679 24.5826 41.5623 62.1324 -4.40499 -156.376 108.868 -243.4 -183.015 PRESSAVG: 275400 36.0586 -40.1786 56.9588 -40.1786 -44.7034 7.15856 56.9588 7.15852 -11.3019 GPRESSAVG: 275400 35.7337 -40.022 55.8814 -39.6579 -43.8446 4.14243 55.2988 5.95602 -11.3343 TIMING: 275400 CPU: 866.409, 0.0031373/step Wall: 866.409, 0.0031373/step, 4.11735 hours remaining, 234.996094 MB of memory in use. ENERGY: 275400 4022.9893 20511.7259 14457.0120 234.4207 -203603.5449 2531.8706 0.0000 0.0000 52342.3215 -109503.2049 300.8120 -161845.5264 -109125.9270 299.6614 -197.2047 -169.0331 759792.5359 -6.6489 -6.4817 PRESSURE: 275600 -15.8017 -18.7819 -124.675 -18.7822 -287.207 303.15 -124.675 303.151 105.503 GPRESSURE: 275600 49.9528 7.46822 -135.836 35.995 -267.666 190.426 -171.189 162.713 107.854 PRESSAVG: 275600 39.5688 -22.4136 18.5732 -22.4136 -16.1008 61.5869 18.5732 61.5868 8.25697 GPRESSAVG: 275600 38.8483 -22.6511 20.9802 -22.382 -14.7416 62.9706 19.9879 62.524 7.35851 TIMING: 275600 CPU: 867.033, 0.00311694/step Wall: 867.033, 0.00311694/step, 4.09046 hours remaining, 234.996094 MB of memory in use. ENERGY: 275600 3885.1152 20625.0759 14367.4840 240.9045 -203305.7074 2413.0758 0.0000 0.0000 52086.2862 -109687.7657 299.3406 -161774.0519 -109324.8294 299.5105 -65.8350 -36.6197 759996.7082 10.5750 10.4884 PRESSURE: 275800 4.30437 127.735 -178.235 127.735 -211.955 -68.5014 -178.234 -68.5022 324.24 GPRESSURE: 275800 -54.2038 2.45958 -201.08 183.968 -97.6576 -89.1514 -146.883 -52.9072 341.413 PRESSAVG: 275800 -20.8166 -29.1508 -67.9675 -29.1509 29.0771 16.9082 -67.9675 16.9081 -0.259974 GPRESSAVG: 275800 -20.1037 -27.7057 -69.3144 -31.8623 28.2267 14.9479 -67.8488 16.8338 0.0672213 TIMING: 275800 CPU: 867.656, 0.00311843/step Wall: 867.656, 0.00311843/step, 4.09225 hours remaining, 234.996094 MB of memory in use. ENERGY: 275800 3998.6743 20643.6906 14554.3481 230.1061 -203676.4048 2479.6638 0.0000 0.0000 52113.6649 -109656.2570 299.4979 -161769.9220 -109290.0659 299.4855 38.8630 63.1839 759022.5595 2.6668 2.7301 PRESSURE: 276000 -107.709 -307.615 240.104 -307.614 132.717 31.8103 240.104 31.809 -413.603 GPRESSURE: 276000 -3.36194 -250.436 219.945 -295.17 135.777 79.0064 256.095 181.124 -435.306 PRESSAVG: 276000 -7.08951 -25.3217 14.0609 -25.3217 31.8384 45.4866 14.0608 45.4865 24.6669 GPRESSAVG: 276000 -7.09759 -24.3896 13.2185 -25.7265 31.439 48.2812 14.0614 45.6989 25.1498 TIMING: 276000 CPU: 868.285, 0.00314308/step Wall: 868.285, 0.00314308/step, 4.12442 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 276000 3994.7888 20505.8040 14461.6492 242.8716 -203098.0448 2203.4112 0.0000 0.0000 51987.5848 -109701.9353 298.7734 -161689.5201 -109336.5662 298.9162 -129.5317 -100.9637 759830.1787 16.4719 16.4971 PRESSURE: 276200 -338.586 23.6506 -20.5673 23.6511 14.0728 -181.867 -20.5671 -181.868 -9.47 GPRESSURE: 276200 -178.996 58.7101 -48.3128 21.6904 35.2989 -154.066 -30.4004 -209.397 -94.2852 PRESSAVG: 276200 -23.3363 17.413 39.5856 17.413 23.6861 21.0281 39.5856 21.0281 -19.7862 GPRESSAVG: 276200 -23.6497 16.3137 39.2057 17.8126 24.979 20.364 38.8996 21.1571 -20.7307 TIMING: 276200 CPU: 868.912, 0.00313378/step Wall: 868.912, 0.00313378/step, 4.11204 hours remaining, 234.996094 MB of memory in use. ENERGY: 276200 4004.2567 20530.0526 14514.6706 232.2463 -203747.4859 2630.4717 0.0000 0.0000 52259.6204 -109576.1675 300.3368 -161835.7879 -109209.3735 299.4448 -111.3276 -79.3273 759429.6057 -6.4788 -6.4671 LDB: ============= START OF LOAD BALANCING ============== 881.361 LDB: ============== END OF LOAD BALANCING =============== 881.361 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 881.362 LDB: ============= START OF LOAD BALANCING ============== 881.676 LDB: Largest compute 7076 load 0.035400 is 18.2% of average load 0.194849 LDB: Average compute 0.004399 is 2.3% of average load 0.194849 LDB: TIME 881.68 LOAD: AVG 0.194849 MAX 0.214697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.277 MB LDB: TIME 881.68 LOAD: AVG 0.194849 MAX 0.214697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 881.68 LOAD: AVG 0.194849 MAX 0.214697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 881.682 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 881.687 PRESSURE: 276400 68.028 -152.961 274.202 -152.962 -133.097 -50.2532 274.202 -50.253 -269.677 GPRESSURE: 276400 34.404 -145.684 208.02 -121.611 -97.1855 -34.0577 161.213 -58.4762 -181.244 PRESSAVG: 276400 -20.3019 -12.7192 80.6295 -12.7192 21.199 20.2365 80.6295 20.2365 14.3249 GPRESSAVG: 276400 -21.4778 -13.5063 80.8086 -11.262 21.9794 19.6843 82.4457 18.0803 14.7631 TIMING: 276400 CPU: 869.551, 0.00319571/step Wall: 869.551, 0.00319571/step, 4.19313 hours remaining, 235.562500 MB of memory in use. ENERGY: 276400 3937.5877 20468.2343 14464.8927 243.0559 -203153.7254 2394.2023 0.0000 0.0000 52075.8590 -109569.8935 299.2807 -161645.7525 -109195.7007 299.2974 -111.5821 -81.3419 762713.2440 5.0740 5.0882 PRESSURE: 276600 -150.654 -34.9796 -65.9203 -34.9797 -345.544 -464.301 -65.9203 -464.3 -138.961 GPRESSURE: 276600 -181.987 -88.6527 -60.3828 -16.3563 -260.689 -324.904 -73.6022 -306.677 -116.04 PRESSAVG: 276600 -47.2533 25.9296 2.9731 25.9296 34.1922 35.7117 2.97308 35.7117 22.6403 GPRESSAVG: 276600 -47.6347 27.4677 5.56527 24.0642 33.4116 36.699 0.839303 37.257 23.3309 TIMING: 276600 CPU: 870.175, 0.00312002/step Wall: 870.175, 0.00312002/step, 4.09364 hours remaining, 235.562500 MB of memory in use. ENERGY: 276600 4046.7042 20472.7743 14534.7696 248.1854 -203176.5372 2294.2723 0.0000 0.0000 52078.3346 -109501.4968 299.2949 -161579.8314 -109134.9950 299.1681 -211.7199 -186.2384 763382.5327 3.1930 3.0360 PRESSURE: 276800 -93.7012 -141.619 -129.516 -141.618 133.44 231.995 -129.517 231.994 -298.216 GPRESSURE: 276800 -96.009 -178.165 -104.917 -112.681 194.259 99.2996 -19.2969 176.814 -286.101 PRESSAVG: 276800 -33.5162 -34.1554 61.1986 -34.1554 5.67717 -8.83 61.1986 -8.83013 -0.248515 GPRESSAVG: 276800 -32.2062 -35.5825 59.5675 -32.9558 4.79603 -7.71597 62.3289 -8.7259 -0.710935 TIMING: 276800 CPU: 870.802, 0.00313671/step Wall: 870.802, 0.00313671/step, 4.11537 hours remaining, 235.562500 MB of memory in use. ENERGY: 276800 4020.2486 20540.0146 14500.2806 242.5174 -203522.4209 2624.6478 0.0000 0.0000 52110.7902 -109483.9216 299.4814 -161594.7118 -109134.0448 298.8747 -86.1588 -62.6171 760762.2200 -9.3625 -9.3737 PRESSURE: 277000 -6.39898 -30.4935 -92.6406 -30.4931 -266.936 -127.871 -92.6403 -127.871 -130.391 GPRESSURE: 277000 18.7692 -26.4128 -81.3217 44.7367 -166.282 -123.589 -35.141 -126.976 -166.451 PRESSAVG: 277000 -65.9178 22.1718 -16.3502 22.1718 53.8364 16.9272 -16.3502 16.9272 6.31244 GPRESSAVG: 277000 -66.7966 23.9573 -16.7092 22.1304 54.6289 15.1362 -16.5924 14.7058 6.17406 TIMING: 277000 CPU: 871.431, 0.00314352/step Wall: 871.431, 0.00314352/step, 4.12412 hours remaining, 235.562500 MB of memory in use. ENERGY: 277000 4035.7749 20495.0343 14547.2910 254.5379 -203235.1070 2417.2453 0.0000 0.0000 51968.4154 -109516.8082 298.6632 -161485.2236 -109157.7123 299.0727 -134.5754 -104.6548 759719.6666 -1.9230 -1.9979 PRESSURE: 277200 359.942 -1.79511 -26.4956 -1.79498 67.3064 -8.57914 -26.495 -8.57899 -514.893 GPRESSURE: 277200 384.323 -52.1141 -76.4138 -70.2846 133.438 -48.4291 -45.374 74.2215 -528.302 PRESSAVG: 277200 -20.1097 8.78339 31.6707 8.78343 42.2068 -42.3651 31.6706 -42.365 -10.0429 GPRESSAVG: 277200 -19.513 6.80908 31.6821 10.2061 42.6162 -41.4455 34.7129 -39.7505 -10.7536 TIMING: 277200 CPU: 872.055, 0.00312094/step Wall: 872.055, 0.00312094/step, 4.09433 hours remaining, 235.562500 MB of memory in use. ENERGY: 277200 4044.9023 20570.5554 14564.6617 248.5504 -203480.3227 2427.7810 0.0000 0.0000 51908.6701 -109715.2018 298.3198 -161623.8719 -109350.5772 299.1871 -29.2148 -3.5136 759469.7518 4.0180 4.1165 PRESSURE: 277400 37.4878 -16.7123 188.078 -16.7127 39.5406 48.8083 188.077 48.8074 23.0496 GPRESSURE: 277400 137.701 -78.2213 199.703 -49.4102 100.155 58.5161 109.221 68.4371 -46.2739 PRESSAVG: 277400 11.4475 -22.8017 29.9484 -22.8017 -25.0539 -17.1673 29.9484 -17.1674 18.4198 GPRESSAVG: 277400 11.3932 -23.9889 30.4935 -24.9566 -26.1476 -17.0624 26.8808 -17.5174 19.9282 TIMING: 277400 CPU: 872.677, 0.00310735/step Wall: 872.677, 0.00310735/step, 4.07632 hours remaining, 235.562500 MB of memory in use. ENERGY: 277400 3971.7230 20583.6723 14432.2518 232.6109 -203711.4255 2702.3223 0.0000 0.0000 52172.9085 -109615.9367 299.8384 -161788.8452 -109253.5362 298.6488 33.3594 63.8605 759200.7187 1.6045 1.7246 PRESSURE: 277600 170.076 -199.627 -32.9706 -199.627 -203.503 -73.3266 -32.9707 -73.3269 -7.80835 GPRESSURE: 277600 39.4828 -267.137 -23.7015 -254.147 -12.6682 -100.165 -180.333 52.4726 20.6421 PRESSAVG: 277600 58.6762 -8.59836 36.7015 -8.59833 6.6365 -21.6515 36.7015 -21.6515 -10.7133 GPRESSAVG: 277600 58.0891 -6.33453 36.6957 -8.21763 6.79364 -20.304 37.1837 -20.7196 -9.9088 TIMING: 277600 CPU: 873.3, 0.00311716/step Wall: 873.3, 0.00311716/step, 4.08902 hours remaining, 235.562500 MB of memory in use. ENERGY: 277600 3995.8535 20424.4578 14473.0068 263.4993 -203195.8404 2432.8531 0.0000 0.0000 52012.3518 -109593.8181 298.9157 -161606.1699 -109224.8121 299.3760 -13.7449 15.8189 760874.8312 18.1998 18.3246 PRESSURE: 277800 155.658 1.83018 99.6295 1.83005 361.343 204.636 99.6293 204.636 -36.5992 GPRESSURE: 277800 197.88 19.227 85.6648 33.4682 367.26 227.531 115.245 152.777 -18.597 PRESSAVG: 277800 14.1294 -62.5433 -28.5077 -62.5434 -3.66949 1.36294 -28.5078 1.36291 1.46033 GPRESSAVG: 277800 13.5611 -63.6239 -29.4163 -62.9618 -3.14808 -0.225681 -29.6996 0.112587 0.69121 TIMING: 277800 CPU: 873.929, 0.00314222/step Wall: 873.929, 0.00314222/step, 4.12171 hours remaining, 235.562500 MB of memory in use. ENERGY: 277800 3915.1625 20426.2082 14495.8556 263.9404 -203405.6247 2763.3799 0.0000 0.0000 52097.5465 -109443.5316 299.4053 -161541.0781 -109087.0078 298.8444 160.1340 182.1811 761325.0762 3.9734 3.7014 PRESSURE: 278000 180.406 32.1759 -113.729 32.1755 -326.132 -218.166 -113.729 -218.166 124.059 GPRESSURE: 278000 197.248 115.538 -75.7762 48.0118 -254.967 -231.714 -176.364 -73.5357 119.486 PRESSAVG: 278000 -38.9659 -42.5641 11.8592 -42.5641 -22.1715 23.9103 11.8591 23.9102 3.82242 GPRESSAVG: 278000 -38.7783 -40.8973 12.7287 -43.1047 -21.8686 24.2283 12.6448 25.3866 3.53255 TIMING: 278000 CPU: 874.555, 0.00313127/step Wall: 874.555, 0.00313127/step, 4.10719 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: 278000 3977.9183 20576.0412 14484.3600 266.2245 -203392.2907 2443.6214 0.0000 0.0000 51958.6487 -109685.4766 298.6071 -161644.1253 -109320.4667 299.4796 -7.2222 20.5889 760305.3704 -19.1050 -19.0381 PRESSURE: 278200 -220.118 -24.0483 -171.201 -24.0489 124.686 83.9884 -171.201 83.987 -254.229 GPRESSURE: 278200 -138.463 -37.953 -174.763 -48.6365 131.229 0.335854 20.3656 104.136 -263.499 PRESSAVG: 278200 -11.7996 -38.5136 -17.2267 -38.5137 -28.7573 -1.33604 -17.2268 -1.33601 -24.1068 GPRESSAVG: 278200 -10.6784 -38.7008 -16.5405 -37.2946 -28.7703 -1.75775 -16.1644 -2.36936 -25.3087 TIMING: 278200 CPU: 875.18, 0.00312557/step Wall: 875.18, 0.00312557/step, 4.09954 hours remaining, 235.562500 MB of memory in use. ENERGY: 278200 4004.3575 20657.4817 14449.1740 264.2138 -203275.8175 2381.0092 0.0000 0.0000 51952.1420 -109567.4394 298.5697 -161519.5814 -109210.5195 299.1555 -116.5539 -90.2441 762770.1536 -21.5545 -21.5858 PRESSURE: 278400 533.101 18.8835 14.1638 18.8834 127.585 212.924 14.164 212.925 -21.179 GPRESSURE: 278400 437.732 -38.7897 -41.9718 37.3372 168.367 229.257 -66.4627 242.81 116.152 PRESSAVG: 278400 4.08646 -42.5068 -44.2565 -42.5068 18.9267 -18.2064 -44.2566 -18.2063 8.89873 GPRESSAVG: 278400 4.15695 -43.5782 -45.0421 -40.8891 17.6375 -18.265 -44.6316 -17.4621 10.4016 TIMING: 278400 CPU: 875.802, 0.00310953/step Wall: 875.802, 0.00310953/step, 4.07833 hours remaining, 235.562500 MB of memory in use. ENERGY: 278400 3885.8839 20557.5561 14516.5353 258.6190 -203170.6687 2636.1483 0.0000 0.0000 51774.8014 -109541.1246 297.5505 -161315.9261 -109183.9493 298.9348 213.1691 240.7502 762174.2824 10.6373 10.7320 PRESSURE: 278600 -77.6528 -158.335 104.363 -158.335 -550.045 -62.4954 104.362 -62.4953 294.921 GPRESSURE: 278600 -77.9221 -178.065 82.4654 -200.676 -356.312 -93.1071 -40.2049 -33.0503 193.03 PRESSAVG: 278600 5.57119 -40.8123 -21.0765 -40.8123 -42.7104 -29.3466 -21.0765 -29.3466 6.98603 GPRESSAVG: 278600 3.9969 -40.4684 -22.0203 -41.1758 -42.2429 -28.0922 -22.691 -29.8889 7.93303 TIMING: 278600 CPU: 876.428, 0.00313195/step Wall: 876.428, 0.00313195/step, 4.10755 hours remaining, 235.562500 MB of memory in use. ENERGY: 278600 3959.5479 20468.2320 14408.0282 244.9850 -203203.3487 2547.9611 0.0000 0.0000 51865.1290 -109709.4654 298.0696 -161574.5944 -109351.9203 298.2002 -110.9255 -80.4015 762580.2617 -10.0511 -10.1043 PRESSURE: 278800 336.405 -23.2337 63.4237 -23.2326 -112.054 -56.0668 63.424 -56.0674 -193.16 GPRESSURE: 278800 338.173 -81.5999 151.032 74.6061 -35.4274 -45.2132 127.862 -49.6043 -174.77 PRESSAVG: 278800 51.4977 -70.1732 -16.8089 -70.1731 -26.5867 -47.9959 -16.809 -47.9958 -6.57987 GPRESSAVG: 278800 50.4464 -72.8765 -15.1307 -70.4336 -24.8019 -48.7329 -17.6937 -48.2121 -6.90046 TIMING: 278800 CPU: 877.056, 0.00313894/step Wall: 877.056, 0.00313894/step, 4.11654 hours remaining, 235.562500 MB of memory in use. ENERGY: 278800 3966.9512 20547.7768 14462.1273 263.4333 -203235.9476 2614.4663 0.0000 0.0000 51844.0152 -109537.1774 297.9483 -161381.1927 -109180.7516 298.3784 10.3974 42.6585 762124.2903 6.1104 6.2480 PRESSURE: 279000 -547.622 -14.725 -359.773 -14.7248 -356.893 95.1189 -359.772 95.1196 -341.733 GPRESSURE: 279000 -421.723 72.085 -328.142 -48.6431 -386.81 86.6201 -293.224 151.995 -338.394 PRESSAVG: 279000 -17.5538 -5.4051 -4.78078 -5.40514 12.1548 1.28311 -4.78084 1.28305 10.9885 GPRESSAVG: 279000 -17.2082 -3.44756 -5.36754 -5.39813 11.6015 0.0798426 -3.47395 3.42781 11.2731 TIMING: 279000 CPU: 877.683, 0.00313595/step Wall: 877.683, 0.00313595/step, 4.11245 hours remaining, 235.562500 MB of memory in use. ENERGY: 279000 4053.6989 20517.1454 14461.3832 248.9996 -203217.7417 2142.0854 0.0000 0.0000 51741.3481 -110053.0811 297.3582 -161794.4292 -109690.1244 298.4527 -415.4160 -382.3090 760632.0271 1.8632 1.8888 PRESSURE: 279200 37.8023 152.618 65.9373 152.618 32.7337 -14.4388 65.9382 -14.4374 42.5871 GPRESSURE: 279200 95.8243 -8.17948 77.2439 165.447 82.7363 -17.7952 84.0141 -61.5172 31.8824 PRESSAVG: 279200 -12.8996 -21.4346 -44.9437 -21.4345 11.8042 35.4034 -44.9436 35.4033 -2.13515 GPRESSAVG: 279200 -11.2929 -21.3481 -44.0233 -21.3735 12.2388 37.4252 -46.8047 34.1973 -4.21356 TIMING: 279200 CPU: 878.305, 0.00311098/step Wall: 878.305, 0.00311098/step, 4.07953 hours remaining, 235.562500 MB of memory in use. ENERGY: 279200 4010.7311 20609.6330 14505.5473 281.6240 -203176.4917 2443.4538 0.0000 0.0000 51558.4467 -109767.0559 296.3071 -161325.5026 -109408.1992 298.5162 37.7077 70.1477 759777.7817 -1.0768 -1.0892 PRESSURE: 279400 542.009 -389.536 -35.6011 -389.537 426.278 57.7732 -35.6013 57.7727 -252.982 GPRESSURE: 279400 560.778 -338.812 -60.2295 -473.686 474.54 -62.844 107.396 32.3265 -222.175 PRESSAVG: 279400 -4.72076 -78.1357 47.4864 -78.1356 14.592 -18.0505 47.4865 -18.0505 18.3266 GPRESSAVG: 279400 -6.22028 -77.9002 46.3245 -79.1788 13.9549 -19.6694 49.3858 -18.6496 19.9024 TIMING: 279400 CPU: 878.932, 0.00313125/step Wall: 878.932, 0.00313125/step, 4.10594 hours remaining, 235.562500 MB of memory in use. ENERGY: 279400 4015.9068 20438.5407 14455.1183 237.0834 -203515.1796 2660.0785 0.0000 0.0000 52050.4390 -109658.0129 299.1346 -161708.4519 -109308.5906 299.1760 238.4350 271.0478 758164.7323 9.3993 9.2123 PRESSURE: 279600 101.494 -216.2 -141.422 -216.2 -324.263 -88.8709 -141.421 -88.8708 -153.064 GPRESSURE: 279600 112.792 -182.504 -167.926 -236.306 -322.317 -31.4187 -114.835 -47.2936 -94.7544 PRESSAVG: 279600 32.9799 -34.4756 17.704 -34.4755 -32.4657 3.56943 17.704 3.56939 -13.0548 GPRESSAVG: 279600 32.982 -35.108 17.8492 -32.5941 -32.9522 3.42069 14.6541 2.55519 -13.388 TIMING: 279600 CPU: 879.558, 0.00313377/step Wall: 879.558, 0.00313377/step, 4.10907 hours remaining, 235.562500 MB of memory in use. ENERGY: 279600 3962.0614 20589.3861 14398.7982 258.3686 -203336.7729 2539.5913 0.0000 0.0000 51998.4792 -109590.0882 298.8360 -161588.5674 -109227.6258 298.7021 -125.2776 -101.4265 761404.2159 -4.1802 -4.4527 PRESSURE: 279800 327.592 216.635 -59.2483 216.634 223.366 51.9535 -59.2486 51.9526 -129.989 GPRESSURE: 279800 383.546 173.786 13.4072 182.753 155.301 56.3098 37.9019 -7.18688 -32.9468 PRESSAVG: 279800 36.7961 -45.9483 33.4569 -45.9484 9.35308 -34.6469 33.4569 -34.6469 -22.2148 GPRESSAVG: 279800 36.9574 -45.2007 35.0988 -47.9393 9.44876 -31.7669 35.3318 -33.2983 -22.5588 TIMING: 279800 CPU: 880.182, 0.0031183/step Wall: 880.182, 0.0031183/step, 4.08862 hours remaining, 235.562500 MB of memory in use. ENERGY: 279800 3894.9078 20452.7547 14435.0721 259.7827 -202995.8428 2287.4080 0.0000 0.0000 52167.9714 -109497.9461 299.8100 -161665.9175 -109125.2059 298.9996 140.3233 168.6337 761305.6282 7.9781 7.9491 PRESSURE: 280000 -427.705 -169.034 -36.5617 -169.034 -252.089 -161.351 -36.5615 -161.352 -42.9706 GPRESSURE: 280000 -361.356 -92.8263 -75.7809 -111.985 -288.771 -181.309 -88.5116 -109.989 11.7594 PRESSAVG: 280000 -24.1961 -14.0964 17.8606 -14.0963 16.7268 11.1352 17.8607 11.1351 -16.8769 GPRESSAVG: 280000 -21.7625 -13.4091 16.5148 -14.238 15.9075 9.46345 20.3926 12.6206 -18.1541 TIMING: 280000 CPU: 880.81, 0.00313999/step Wall: 880.81, 0.00313999/step, 4.11688 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: 280000 4041.8262 20539.8587 14477.2356 265.4682 -203129.1410 2381.8526 0.0000 0.0000 52046.1383 -109376.7613 299.1099 -161422.8996 -109011.7964 299.1029 -240.9216 -212.7893 762589.3510 -8.1154 -8.0030 PRESSURE: 280200 -38.2922 34.1079 102.914 34.1074 170.533 66.8886 102.914 66.8884 274.205 GPRESSURE: 280200 -7.88413 -14.3639 120.407 12.148 285.295 37.822 144.903 -39.707 195.066 PRESSAVG: 280200 -67.8597 -13.8769 27.1212 -13.8769 31.8917 33.6749 27.1212 33.6749 9.48342 GPRESSAVG: 280200 -70.9534 -15.7393 28.0888 -13.6183 33.5098 34.3478 25.4816 32.6038 11.0924 TIMING: 280200 CPU: 881.44, 0.00315075/step Wall: 881.44, 0.00315075/step, 4.13081 hours remaining, 235.562500 MB of memory in use. ENERGY: 280200 3891.7140 20520.4779 14495.3513 256.4727 -203744.6519 2940.9827 0.0000 0.0000 52081.9522 -109557.7011 299.3157 -161639.6534 -109197.5829 299.0724 135.4817 157.4924 761746.2541 -8.8282 -8.7837 LDB: ============= START OF LOAD BALANCING ============== 893.89 LDB: ============== END OF LOAD BALANCING =============== 893.89 LDB: =============== DONE WITH MIGRATION ================ 893.892 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 894.205 LDB: Largest compute 7026 load 0.034724 is 17.8% of average load 0.194947 LDB: Average compute 0.004387 is 2.3% of average load 0.194947 LDB: TIME 894.209 LOAD: AVG 0.194947 MAX 0.214003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.852 MB LDB: TIME 894.209 LOAD: AVG 0.194947 MAX 0.214003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: TIME 894.209 LOAD: AVG 0.194947 MAX 0.214003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: ============== END OF LOAD BALANCING =============== 894.211 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 894.216 PRESSURE: 280400 -27.1128 12.3152 79.4531 12.3155 226.989 197.423 79.453 197.423 65.0601 GPRESSURE: 280400 -1.16858 -14.5935 -23.856 19.3036 286.584 196.562 -12.1418 114.885 64.1442 PRESSAVG: 280400 -22.3107 -56.6344 43.9948 -56.6345 44.7601 -32.3843 43.9949 -32.3843 19.5955 GPRESSAVG: 280400 -21.1404 -55.3045 42.9631 -56.8442 44.5595 -32.1724 43.6371 -32.2198 19.0441 TIMING: 280400 CPU: 882.08, 0.0031997/step Wall: 882.08, 0.0031997/step, 4.19481 hours remaining, 234.851562 MB of memory in use. ENERGY: 280400 3979.8119 20580.8961 14515.5017 243.7999 -203650.9680 2717.2239 0.0000 0.0000 52272.9763 -109340.7581 300.4135 -161613.7344 -108975.6609 299.4512 88.3122 116.5197 761451.1101 14.0150 14.1544 PRESSURE: 280600 -68.8583 -274.29 74.5472 -274.29 37.4777 122.958 74.5466 122.957 217.102 GPRESSURE: 280600 15.9328 -256.355 63.2404 -221.502 62.6121 62.9848 135.89 79.9868 191.259 PRESSAVG: 280600 -36.361 -42.0209 12.0379 -42.021 12.0321 22.3196 12.0378 22.3196 24.8525 GPRESSAVG: 280600 -34.9978 -43.5704 12.835 -41.4603 11.5027 22.3029 9.93076 20.9284 23.7475 TIMING: 280600 CPU: 882.705, 0.00312549/step Wall: 882.705, 0.00312549/step, 4.09734 hours remaining, 234.996094 MB of memory in use. ENERGY: 280600 3972.4803 20438.0292 14561.9244 260.2284 -203239.5291 2488.6760 0.0000 0.0000 52175.8105 -109342.3804 299.8551 -161518.1909 -108977.7950 299.7108 61.9070 89.9345 761239.7888 0.1745 0.0841 PRESSURE: 280800 44.759 -39.183 204.353 -39.183 38.9956 -154.637 204.352 -154.636 -10.1065 GPRESSURE: 280800 -76.0685 -85.2315 125.005 -127.467 171.629 -188.841 144.913 -62.9857 37.0914 PRESSAVG: 280800 60.0819 -33.8796 -9.64954 -33.8796 -26.3245 15.9116 -9.6496 15.9117 -6.74052 GPRESSAVG: 280800 57.893 -32.5422 -10.6478 -35.0396 -26.8282 15.7804 -8.896 18.3026 -4.05735 TIMING: 280800 CPU: 883.329, 0.00312008/step Wall: 883.329, 0.00312008/step, 4.09008 hours remaining, 234.996094 MB of memory in use. ENERGY: 280800 3978.8642 20584.6120 14575.7378 250.7402 -203067.5043 2341.5934 0.0000 0.0000 52054.8552 -109281.1015 299.1600 -161335.9567 -108916.4637 299.4398 24.5494 44.2173 760737.5629 9.0056 9.0025 PRESSURE: 281000 253.02 -51.2587 115.825 -51.2583 377.477 34.2964 115.826 34.2978 338.756 GPRESSURE: 281000 275.148 -133.842 128.492 48.8962 393.068 37.5134 55.9333 75.327 403.929 PRESSAVG: 281000 -21.7809 -35.6713 38.9565 -35.6712 34.9373 -38.754 38.9565 -38.754 -17.5834 GPRESSAVG: 281000 -20.4795 -36.3061 38.8347 -34.3285 34.3451 -39.4393 38.688 -39.2367 -18.1289 TIMING: 281000 CPU: 883.954, 0.00312298/step Wall: 883.954, 0.00312298/step, 4.09371 hours remaining, 234.996094 MB of memory in use. ENERGY: 281000 3952.7700 20360.3239 14527.0063 244.5366 -203434.2650 2878.9400 0.0000 0.0000 52103.4095 -109367.2786 299.4390 -161470.6882 -109007.2560 299.2842 323.0841 357.3819 759717.9806 -1.4757 -1.4211 PRESSURE: 281200 116.897 -106.943 -154.572 -106.944 -324.943 -77.8238 -154.571 -77.8239 -22.6232 GPRESSURE: 281200 167.691 -50.2314 -46.9207 -112.603 -285.586 -45.7083 -148.679 -2.96938 -25.456 PRESSAVG: 281200 17.1304 -25.1137 -38.9559 -25.1138 4.4674 8.26711 -38.9559 8.26715 -1.16287 GPRESSAVG: 281200 17.6349 -24.5228 -37.459 -24.3272 5.03946 8.53277 -38.3386 8.62219 -2.36426 TIMING: 281200 CPU: 884.577, 0.00311611/step Wall: 884.577, 0.00311611/step, 4.08452 hours remaining, 234.996094 MB of memory in use. ENERGY: 281200 4030.5758 20692.5695 14514.0537 243.4693 -202949.7943 2309.2129 0.0000 0.0000 51823.5347 -109336.3784 297.8306 -161159.9131 -108970.8211 299.2539 -76.8899 -47.7839 761246.0838 6.8116 6.7700 PRESSURE: 281400 321.416 -71.466 195.413 -71.4657 -341.693 -2.96538 195.413 -2.96595 56.2988 GPRESSURE: 281400 235.004 -170.677 198.492 -22.313 -250.703 60.5579 139.89 -32.5215 125.541 PRESSAVG: 281400 0.354909 -57.0116 24.5999 -57.0116 -12.89 33.139 24.5999 33.139 -11.9496 GPRESSAVG: 281400 0.696503 -58.1379 25.5383 -57.3671 -12.8462 33.2273 24.9666 33.4076 -12.5835 TIMING: 281400 CPU: 885.205, 0.00313829/step Wall: 885.205, 0.00313829/step, 4.11342 hours remaining, 234.996094 MB of memory in use. ENERGY: 281400 4054.7573 20652.6544 14532.3838 244.5647 -203119.5855 2455.9037 0.0000 0.0000 51874.8463 -109304.4753 298.1255 -161179.3216 -108953.2490 299.2632 12.0072 36.6140 762300.7522 -8.1615 -8.2444 PRESSURE: 281600 -99.2543 169.385 83.523 169.384 221.05 26.8179 83.5232 26.8168 -76.3372 GPRESSURE: 281600 -56.4953 170.61 84.466 152.41 295.015 3.09455 142.537 -16.3792 -85.6747 PRESSAVG: 281600 21.1331 -36.68 15.8561 -36.6801 -31.8967 30.9645 15.8562 30.9645 6.61831 GPRESSAVG: 281600 19.9135 -33.579 13.5387 -37.9284 -31.045 31.4092 16.872 30.5136 6.98098 TIMING: 281600 CPU: 885.833, 0.00314154/step Wall: 885.833, 0.00314154/step, 4.11751 hours remaining, 234.996094 MB of memory in use. ENERGY: 281600 3998.7352 20543.7515 14439.3245 231.1462 -203314.3206 2588.4110 0.0000 0.0000 52125.1875 -109387.7646 299.5642 -161512.9521 -109022.3598 299.3373 15.1527 50.9484 761959.8242 -1.3817 -1.3835 PRESSURE: 281800 -278.994 -87.6776 231.482 -87.6774 -189.156 30.7226 231.483 30.7228 -2.22719 GPRESSURE: 281800 -286.489 -63.5674 151.058 -38.6532 -86.8614 55.6696 153.677 -30.3602 -28.0878 PRESSAVG: 281800 -18.4234 -70.5767 -44.9288 -70.5767 -5.2685 40.5984 -44.9289 40.5985 -1.81458 GPRESSAVG: 281800 -19.3973 -72.1819 -42.8922 -70.7228 -4.81547 40.9672 -46.5926 38.6505 -1.37162 TIMING: 281800 CPU: 886.461, 0.00313888/step Wall: 886.461, 0.00313888/step, 4.11386 hours remaining, 234.996094 MB of memory in use. ENERGY: 281800 4004.3044 20408.6321 14548.3650 239.8730 -203854.0713 2974.3787 0.0000 0.0000 52250.4482 -109428.0698 300.2840 -161678.5180 -109056.1973 299.6636 -156.7922 -133.8127 761646.3201 -8.5022 -8.5281 PRESSURE: 282000 83.3781 -132.006 -454.018 -132.006 -320.093 -170.531 -454.017 -170.53 -243.86 GPRESSURE: 282000 39.5064 -172.523 -460.111 -247.415 -210.966 -204.912 -444.33 -174.877 -215.443 PRESSAVG: 282000 20.9674 -31.1188 -96.449 -31.1188 -26.4046 -0.494041 -96.449 -0.494033 9.90554 GPRESSAVG: 282000 19.1756 -32.1497 -97.5341 -30.6877 -24.6051 -1.15552 -95.6411 1.6611 9.74143 TIMING: 282000 CPU: 887.089, 0.00314128/step Wall: 887.089, 0.00314128/step, 4.11683 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 282000 3991.2697 20509.7719 14517.8817 225.0009 -203107.8845 2479.8483 0.0000 0.0000 52132.8395 -109251.2724 299.6081 -161384.1120 -108895.6624 299.2584 -160.1916 -128.9675 762255.2808 1.4894 1.4373 PRESSURE: 282200 -4.2571 -153.015 106.329 -153.015 279.32 -27.7656 106.329 -27.7664 -43.3098 GPRESSURE: 282200 63.1814 -145.407 121.784 -40.6472 260.118 -95.3759 -33.8511 36.8342 -31.8272 PRESSAVG: 282200 8.49033 -61.7231 -65.3552 -61.7231 -11.0441 5.20265 -65.3551 5.20262 14.7658 GPRESSAVG: 282200 10.6402 -59.5181 -65.582 -60.7142 -13.2265 5.43825 -64.2151 6.11497 14.741 TIMING: 282200 CPU: 887.717, 0.00314168/step Wall: 887.717, 0.00314168/step, 4.11717 hours remaining, 234.996094 MB of memory in use. ENERGY: 282200 3963.6483 20414.6430 14547.3673 242.0383 -203308.0710 2734.9720 0.0000 0.0000 52196.2608 -109209.1413 299.9726 -161405.4021 -108839.6503 299.9551 77.2511 97.1575 760896.1282 4.0707 4.0516 PRESSURE: 282400 -126.533 6.95441 -154.985 6.95484 72.4339 54.3644 -154.985 54.3644 172.1 GPRESSURE: 282400 -26.0437 55.2454 -27.8816 -112.016 136.018 -27.9522 -216.093 128.356 106.549 PRESSAVG: 282400 -34.8415 -52.1746 -59.9412 -52.1746 34.2917 4.23469 -59.9412 4.23474 10.6159 GPRESSAVG: 282400 -33.9732 -52.8541 -60.5456 -53.1054 34.9499 4.32183 -60.8221 2.53465 9.54417 TIMING: 282400 CPU: 888.344, 0.00313447/step Wall: 888.344, 0.00313447/step, 4.10755 hours remaining, 234.996094 MB of memory in use. ENERGY: 282400 3975.8333 20454.9167 14503.1409 254.6026 -202878.5516 2427.0331 0.0000 0.0000 52071.0068 -109192.0181 299.2528 -161263.0249 -108829.4445 299.6340 39.3338 72.1745 761682.8297 3.3554 3.5070 PRESSURE: 282600 -70.0991 19.1644 74.1465 19.1637 7.22286 126.797 74.1453 126.797 -525.276 GPRESSURE: 282600 -6.91748 -39.5052 133.22 -130.082 33.0851 151.216 148.7 123.893 -522.673 PRESSAVG: 282600 -7.66478 -69.0135 -51.58 -69.0136 25.0766 -14.3821 -51.5799 -14.382 -37.292 GPRESSAVG: 282600 -9.48948 -68.3416 -50.8989 -67.8597 25.842 -14.9551 -50.1517 -13.992 -36.3261 TIMING: 282600 CPU: 888.972, 0.00313835/step Wall: 888.972, 0.00313835/step, 4.11246 hours remaining, 234.996094 MB of memory in use. ENERGY: 282600 3985.6452 20714.4753 14486.0325 252.0929 -203267.0678 2506.9681 0.0000 0.0000 51992.0200 -109329.8339 298.7989 -161321.8538 -108977.8403 299.6387 -196.0509 -165.5017 759830.0285 -6.6267 -6.6578 PRESSURE: 282800 130.646 17.5432 110.215 17.5436 -487.72 261.534 110.215 261.533 -272.919 GPRESSURE: 282800 65.5532 -45.699 105.234 63.5291 -403.198 348.828 61.9156 214.702 -207.175 PRESSAVG: 282800 43.259 -65.3671 17.5116 -65.3671 -9.45914 26.7526 17.5116 26.7527 -22.9585 GPRESSAVG: 282800 42.8656 -66.8016 15.2457 -65.9464 -9.93018 28.6055 17.2396 25.0437 -22.071 TIMING: 282800 CPU: 889.597, 0.00312566/step Wall: 889.597, 0.00312566/step, 4.09566 hours remaining, 234.996094 MB of memory in use. ENERGY: 282800 3958.6452 20432.7900 14462.7730 255.0062 -203431.7040 2589.1508 0.0000 0.0000 52011.5630 -109721.7758 298.9112 -161733.3388 -109355.1421 299.0162 -209.9979 -181.6065 759988.8607 3.6138 3.6215 PRESSURE: 283000 28.1032 -35.8673 148.596 -35.8667 104.541 175.331 148.596 175.332 260.864 GPRESSURE: 283000 99.6082 -140.391 78.8623 -39.4528 98.791 223.471 158.344 330.731 277.94 PRESSAVG: 283000 45.6023 -98.5261 -32.836 -98.5261 -1.77959 15.8801 -32.8359 15.88 4.48147 GPRESSAVG: 283000 45.757 -97.8436 -31.1165 -98.3486 -2.28002 15.815 -34.463 18.528 4.38918 TIMING: 283000 CPU: 890.221, 0.00312025/step Wall: 890.221, 0.00312025/step, 4.08839 hours remaining, 234.996094 MB of memory in use. ENERGY: 283000 3985.3744 20446.3156 14509.9373 238.0116 -203590.2047 2744.8905 0.0000 0.0000 52086.6033 -109579.0719 299.3424 -161665.6752 -109216.5228 298.5708 131.1693 158.7796 759508.7273 16.1014 15.9554 PRESSURE: 283200 57.2342 -115.393 254.495 -115.392 -36.7967 -13.4654 254.495 -13.4653 136.496 GPRESSURE: 283200 128.757 -85.8832 305.619 -91.1926 10.8056 -56.8613 245.562 -22.4689 92.0703 PRESSAVG: 283200 43.5178 3.71275 13.8893 3.71279 -55.3414 -28.1563 13.8892 -28.1562 -7.26522 GPRESSAVG: 283200 44.5166 4.66724 13.7704 4.48003 -56.3955 -28.5535 13.773 -27.839 -7.54355 TIMING: 283200 CPU: 890.849, 0.00314051/step Wall: 890.849, 0.00314051/step, 4.11476 hours remaining, 234.996094 MB of memory in use. ENERGY: 283200 4038.9954 20483.8113 14400.1830 253.9282 -202899.2343 2513.2887 0.0000 0.0000 51946.4351 -109262.5925 298.5369 -161209.0276 -108913.9759 298.8449 52.3112 77.2110 762326.6811 -6.3629 -6.4741 PRESSURE: 283400 161.414 115.285 348.616 115.284 -154.272 139.229 348.615 139.23 -218.368 GPRESSURE: 283400 61.6878 102.83 319.704 133.171 -54.9625 130.224 238.544 92.5966 -143.293 PRESSAVG: 283400 -0.469783 -52.7354 -64.3422 -52.7354 27.6972 -44.474 -64.3423 -44.474 16.9462 GPRESSAVG: 283400 -1.02457 -54.052 -64.741 -51.3624 28.8147 -45.6447 -65.5657 -45.7753 16.4277 TIMING: 283400 CPU: 891.473, 0.00311819/step Wall: 891.473, 0.00311819/step, 4.08534 hours remaining, 234.996094 MB of memory in use. ENERGY: 283400 3983.5837 20490.2190 14494.2446 242.2574 -202707.7079 2244.0402 0.0000 0.0000 52035.2700 -109218.0931 299.0474 -161253.3631 -108851.4868 299.2657 -70.4088 -45.5224 759456.8029 14.7245 14.7393 PRESSURE: 283600 110.289 -318.053 139.897 -318.053 -437.553 29.4402 139.897 29.4401 -92.5407 GPRESSURE: 283600 97.847 -328.317 154.722 -281.006 -345.368 -14.0583 14.1475 -104.223 -83.2536 PRESSAVG: 283600 49.805 -36.694 -7.89828 -36.694 -42.3711 66.9908 -7.89828 66.9909 -18.3657 GPRESSAVG: 283600 49.3424 -34.7393 -7.04575 -37.4381 -43.9067 68.0414 -8.843 68.2432 -17.0283 TIMING: 283600 CPU: 892.098, 0.0031253/step Wall: 892.098, 0.0031253/step, 4.09449 hours remaining, 234.996094 MB of memory in use. ENERGY: 283600 3974.7921 20573.1875 14438.8280 260.5686 -202827.3052 2305.0111 0.0000 0.0000 52092.1834 -109182.7345 299.3745 -161274.9180 -108825.3942 299.0911 -139.9348 -110.2582 760561.5755 -3.6439 -3.8642 PRESSURE: 283800 80.3552 172.161 72.568 172.161 81.5187 125.39 72.5688 125.39 348.928 GPRESSURE: 283800 122.455 129.286 22.8746 40.6145 57.4541 124.444 116.639 88.2606 401.093 PRESSAVG: 283800 -12.397 -11.3913 16.007 -11.3915 -14.7264 -11.1289 16.007 -11.1289 -3.70655 GPRESSAVG: 283800 -13.1846 -12.8605 15.3612 -11.6168 -12.891 -13.2304 18.6282 -10.6683 -4.61928 TIMING: 283800 CPU: 892.723, 0.00312631/step Wall: 892.723, 0.00312631/step, 4.09563 hours remaining, 234.996094 MB of memory in use. ENERGY: 283800 4000.8551 20518.6062 14510.3725 249.4603 -202979.0819 2512.1881 0.0000 0.0000 51949.2279 -109238.3719 298.5529 -161187.5997 -108879.4680 299.4411 170.2672 193.6676 760066.4816 -10.2766 -10.2316 PRESSURE: 284000 -39.0238 28.7857 -234.114 28.7854 -153.5 151.192 -234.114 151.191 225.219 GPRESSURE: 284000 -48.2983 -67.241 -196.576 -0.139504 -113.204 64.3811 -75.4592 130.105 258.296 PRESSAVG: 284000 3.37884 -22.5113 -18.4446 -22.5113 -36.9305 -20.3585 -18.4446 -20.3584 5.99141 GPRESSAVG: 284000 4.17481 -21.8703 -17.9827 -22.555 -38.3915 -20.3384 -19.3193 -21.8194 6.46246 TIMING: 284000 CPU: 893.347, 0.00312057/step Wall: 893.347, 0.00312057/step, 4.08795 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 284000 3910.1355 20731.1837 14452.1073 252.9658 -203546.9068 2710.8334 0.0000 0.0000 52134.8795 -109354.8016 299.6199 -161489.6810 -109000.9785 299.4761 10.8983 32.2646 761039.3654 -9.1868 -9.2514 PRESSURE: 284200 -48.4909 173.292 74.0368 173.292 -318.91 -232.376 74.0358 -232.377 321.196 GPRESSURE: 284200 -23.2893 66.2326 69.7229 127.318 -281.725 -217.172 101.144 -197.88 347.093 PRESSAVG: 284200 52.0102 -67.7049 27.4879 -67.7049 -21.0315 -31.982 27.4878 -31.9819 26.7373 GPRESSAVG: 284200 53.4325 -70.1601 26.3303 -66.8478 -21.3365 -30.5155 27.6614 -28.4372 25.966 TIMING: 284200 CPU: 893.969, 0.00311033/step Wall: 893.969, 0.00311033/step, 4.07436 hours remaining, 234.996094 MB of memory in use. ENERGY: 284200 4087.8926 20522.3121 14496.7853 269.8292 -203551.7201 2882.2956 0.0000 0.0000 52026.5529 -109266.0524 298.9973 -161292.6053 -108900.6696 299.3699 -15.4017 14.0260 761690.6074 19.2387 19.3540 LDB: ============= START OF LOAD BALANCING ============== 906.417 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 906.417 LDB: =============== DONE WITH MIGRATION ================ 906.418 LDB: ============= START OF LOAD BALANCING ============== 906.733 LDB: Largest compute 7077 load 0.034576 is 17.7% of average load 0.194938 LDB: Average compute 0.004383 is 2.2% of average load 0.194938 LDB: TIME 906.736 LOAD: AVG 0.194938 MAX 0.211943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 906.736 LOAD: AVG 0.194938 MAX 0.211943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: TIME 906.736 LOAD: AVG 0.194938 MAX 0.211943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: ============== END OF LOAD BALANCING =============== 906.738 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 906.743 PRESSURE: 284400 301.316 139.122 120.898 139.122 44.9741 -44.6622 120.899 -44.6618 656.715 GPRESSURE: 284400 277.42 24.6615 75.5759 258.319 144.375 -33.461 31.4043 -152.185 698.503 PRESSAVG: 284400 17.8342 -30.2785 31.3789 -30.2784 -55.0675 -47.8128 31.379 -47.8128 30.8307 GPRESSAVG: 284400 17.2369 -28.5252 33.6493 -30.4058 -54.3282 -49.4892 30.6292 -50.3283 30.6593 TIMING: 284400 CPU: 894.607, 0.00318975/step Wall: 894.607, 0.00318975/step, 4.17822 hours remaining, 233.972656 MB of memory in use. ENERGY: 284400 3933.7894 20417.9081 14512.6130 259.7134 -203463.8622 2746.6571 0.0000 0.0000 52027.8841 -109565.2971 299.0050 -161593.1812 -109208.9133 298.5536 334.3350 373.4325 760856.5848 -2.1342 -2.1440 PRESSURE: 284600 -228.141 83.926 -116.385 83.9268 30.0329 -234.484 -116.384 -234.484 372.241 GPRESSURE: 284600 -110.949 63.8251 -13.58 -36.903 0.706187 -269.234 -207.468 -219.973 369.705 PRESSAVG: 284600 -4.4267 25.8989 -3.61442 25.8989 48.8275 7.23385 -3.61444 7.23394 -1.31882 GPRESSAVG: 284600 -5.70253 24.925 -4.61663 25.2619 48.8871 8.14363 -1.63121 7.74306 0.0299977 TIMING: 284600 CPU: 895.234, 0.0031354/step Wall: 895.234, 0.0031354/step, 4.10685 hours remaining, 233.972656 MB of memory in use. ENERGY: 284600 3908.5596 20596.3948 14447.0710 262.4178 -203725.4478 2559.8380 0.0000 0.0000 52325.1853 -109625.9813 300.7136 -161951.1666 -109263.7831 298.5347 58.0443 86.4873 760391.1197 14.3607 14.4049 PRESSURE: 284800 434.709 13.5172 254.387 13.5166 5.28327 146.006 254.387 146.005 251.388 GPRESSURE: 284800 389.592 29.0506 309.195 28.3718 57.8482 220.197 188.581 -42.4163 328.074 PRESSAVG: 284800 40.6747 -8.99117 -22.0489 -8.99117 -41.3872 7.38154 -22.0489 7.38153 22.7273 GPRESSAVG: 284800 41.1737 -9.15414 -21.0925 -6.53163 -41.083 6.20726 -24.1858 7.27642 21.8631 TIMING: 284800 CPU: 895.858, 0.00312027/step Wall: 895.858, 0.00312027/step, 4.08686 hours remaining, 233.972656 MB of memory in use. ENERGY: 284800 3943.0412 20551.2118 14397.3149 233.2775 -203058.0068 2486.3787 0.0000 0.0000 51912.5876 -109534.1950 298.3424 -161446.7826 -109188.7568 298.2956 230.4602 258.5049 761508.5177 7.3383 7.3180 PRESSURE: 285000 70.1666 270.824 128.066 270.825 -77.1385 235.782 128.066 235.781 176.546 GPRESSURE: 285000 142.692 206.314 85.0851 227.882 -15.1037 227.787 85.7921 219.926 137.333 PRESSAVG: 285000 -43.8276 3.03897 26.4163 3.03901 26.9359 -10.5006 26.4164 -10.5006 4.24072 GPRESSAVG: 285000 -43.014 1.77983 24.7148 3.03951 27.0693 -8.75716 25.9702 -11.0669 3.42365 TIMING: 285000 CPU: 896.481, 0.0031126/step Wall: 896.481, 0.0031126/step, 4.07664 hours remaining, 233.972656 MB of memory in use. ENERGY: 285000 3975.2053 20452.2738 14475.9122 236.5135 -203007.3566 2379.3378 0.0000 0.0000 51991.6764 -109496.4376 298.7969 -161488.1140 -109122.8316 298.5609 56.5247 88.3069 762159.3693 -4.2170 -4.1737 PRESSURE: 285200 162.48 50.9041 2.64548 50.9044 91.5298 -25.2405 2.64484 -25.2405 100.074 GPRESSURE: 285200 98.4658 69.1445 -99.9062 48.9076 137.746 0.249092 -45.1844 -63.3601 202.998 PRESSAVG: 285200 -12.3196 -39.4443 2.12383 -39.4443 5.07149 -37.9745 2.12381 -37.9745 9.79808 GPRESSAVG: 285200 -13.1202 -36.5228 1.63253 -42.6796 3.74269 -39.1459 3.84839 -36.8588 12.0887 TIMING: 285200 CPU: 897.103, 0.00311053/step Wall: 897.103, 0.00311053/step, 4.07376 hours remaining, 233.972656 MB of memory in use. ENERGY: 285200 3963.3713 20468.5139 14480.7728 244.9914 -203032.5447 2419.0412 0.0000 0.0000 51906.4128 -109549.4413 298.3069 -161455.8541 -109194.4990 299.1929 118.0277 146.4032 761214.6886 0.8500 0.9037 PRESSURE: 285400 309.003 179.174 -85.2688 179.174 -65.8896 -12.8062 -85.2697 -12.8073 3.4987 GPRESSURE: 285400 414.747 162.787 -166.806 20.4693 -36.0131 -10.4699 35.3217 -40.9022 -33.4497 PRESSAVG: 285400 46.6817 18.3278 -27.5179 18.3278 -8.30473 -14.4255 -27.5179 -14.4255 2.64574 GPRESSAVG: 285400 46.479 17.4375 -27.3006 18.935 -6.99077 -14.2615 -27.8641 -14.7298 1.52359 TIMING: 285400 CPU: 897.731, 0.00314016/step Wall: 897.731, 0.00314016/step, 4.11239 hours remaining, 233.972656 MB of memory in use. ENERGY: 285400 3939.7535 20309.5529 14552.1743 246.4646 -203140.8165 2443.3993 0.0000 0.0000 52040.0099 -109609.4621 299.0747 -161649.4719 -109251.2131 298.6489 82.2041 115.0948 759808.8972 13.6742 13.6706 PRESSURE: 285600 112.956 -290.444 14.1038 -290.445 -85.1793 -170.994 14.104 -170.994 14.7383 GPRESSURE: 285600 135.083 -238.05 -34.4221 -251.302 -112.691 -217.198 -103.475 -133.359 104.043 PRESSAVG: 285600 12.662 27.5852 -37.562 27.5853 -15.2022 -50.0349 -37.5621 -50.0348 18.7748 GPRESSAVG: 285600 14.4697 25.9411 -37.6679 28.262 -15.2959 -50.013 -35.9289 -50.2087 17.1689 TIMING: 285600 CPU: 898.361, 0.00314773/step Wall: 898.361, 0.00314773/step, 4.12212 hours remaining, 233.972656 MB of memory in use. ENERGY: 285600 4003.5244 20388.0693 14482.4645 234.7173 -203244.8855 2518.3605 0.0000 0.0000 52057.8802 -109559.8692 299.1774 -161617.7494 -109192.5738 299.1504 14.1716 42.1452 759574.5264 5.4115 5.4476 PRESSURE: 285800 -86.0914 175.298 61.7701 175.298 198.683 48.8006 61.769 48.8003 223.886 GPRESSURE: 285800 -23.4546 258.692 113.797 245.094 158.38 33.6962 121.744 -54.2032 278.568 PRESSAVG: 285800 22.6478 -23.1885 -20.1775 -23.1885 -53.1598 -55.0945 -20.1775 -55.0945 -15.4634 GPRESSAVG: 285800 21.6196 -20.8074 -19.4491 -22.5803 -52.0883 -55.7335 -23.2551 -56.4576 -15.4468 TIMING: 285800 CPU: 898.99, 0.0031478/step Wall: 898.99, 0.0031478/step, 4.12205 hours remaining, 233.972656 MB of memory in use. ENERGY: 285800 3962.0328 20345.2201 14512.2778 259.8234 -203644.3976 2820.0282 0.0000 0.0000 52238.8994 -109506.1158 300.2177 -161745.0152 -109141.9364 299.2839 112.1594 137.8313 760410.6556 -15.3252 -15.3052 PRESSURE: 286000 -407.349 77.5488 -169.532 77.5488 -401.451 141.671 -169.531 141.671 -388.606 GPRESSURE: 286000 -406.432 -34.9886 -138.159 -15.2364 -269.984 90.8756 -96.7995 163.827 -429.015 PRESSAVG: 286000 -8.53552 13.3492 62.6096 13.3491 -11.6934 3.63329 62.6096 3.63331 -2.1563 GPRESSAVG: 286000 -9.73208 11.5569 62.4901 13.989 -11.4484 3.87197 63.4951 4.77704 -0.945005 TIMING: 286000 CPU: 899.614, 0.00311995/step Wall: 899.614, 0.00311995/step, 4.0854 hours remaining, 233.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 286000 4003.1720 20546.2083 14463.6011 259.2483 -203227.6695 2396.4668 0.0000 0.0000 52004.7019 -109554.2710 298.8717 -161558.9729 -109182.9851 299.0754 -399.1354 -368.4769 761943.7646 -7.4617 -7.3752 PRESSURE: 286200 -25.433 -11.0236 19.9115 -11.0233 83.8971 -129.908 19.9107 -129.907 -58.8831 GPRESSURE: 286200 -12.2406 7.21995 107.643 -46.7836 56.5824 -141.655 81.8285 -124.338 30.2476 PRESSAVG: 286200 9.60003 -28.4505 -8.2501 -28.4504 8.19331 -18.8483 -8.25017 -18.8482 11.0387 GPRESSAVG: 286200 10.7585 -26.9936 -8.57469 -28.8909 8.01762 -18.9564 -6.86458 -18.1747 10.3122 TIMING: 286200 CPU: 900.24, 0.00312923/step Wall: 900.24, 0.00312923/step, 4.09738 hours remaining, 233.972656 MB of memory in use. ENERGY: 286200 3919.9229 20495.2776 14441.3633 251.7035 -203850.2515 2739.7135 0.0000 0.0000 52428.3244 -109573.9464 301.3063 -162002.2708 -109208.0434 299.5767 -0.1397 24.8631 759162.9840 9.6107 9.6961 PRESSURE: 286400 172.8 74.8544 -5.40112 74.8536 -72.2716 -101.886 -5.40023 -101.887 110.251 GPRESSURE: 286400 193.22 114.801 32.9376 17.1217 17.0063 -58.0091 -136.417 -117.735 79.1858 PRESSAVG: 286400 42.6767 -40.2849 -5.87226 -40.2849 -50.0292 -12.405 -5.87227 -12.405 -20.2198 GPRESSAVG: 286400 43.3322 -42.0153 -5.00079 -40.5071 -51.342 -12.1291 -7.00249 -13.4929 -19.7863 TIMING: 286400 CPU: 900.866, 0.00312805/step Wall: 900.866, 0.00312805/step, 4.09566 hours remaining, 233.972656 MB of memory in use. ENERGY: 286400 3908.8728 20399.8272 14467.9575 263.6280 -203232.6548 2432.5975 0.0000 0.0000 52188.4451 -109571.3266 299.9277 -161759.7717 -109206.0714 299.1676 70.2598 96.4707 760801.2810 -9.1908 -9.2653 PRESSURE: 286600 -71.5497 223.146 14.8617 223.146 -481.285 405.218 14.8625 405.218 321.071 GPRESSURE: 286600 -57.8842 185.81 13.5771 297.38 -468.345 386.5 -14.7654 259.582 394.865 PRESSAVG: 286600 28.532 20.8978 -15.3881 20.8979 -30.3167 -15.9024 -15.3881 -15.9024 10.6325 GPRESSAVG: 286600 27.6311 21.7137 -13.7709 22.0561 -29.8388 -16.2467 -16.1543 -15.4311 10.4196 TIMING: 286600 CPU: 901.49, 0.00312152/step Wall: 901.49, 0.00312152/step, 4.08693 hours remaining, 233.972656 MB of memory in use. ENERGY: 286600 3940.4671 20346.4732 14447.9753 265.5272 -202799.7392 2268.6260 0.0000 0.0000 52018.9236 -109511.7467 298.9535 -161530.6703 -109139.5951 298.5029 -77.2547 -43.7878 758761.9255 2.9492 2.7373 PRESSURE: 286800 104.183 -133.554 -108.121 -133.555 172.109 185.566 -108.12 185.565 -64.2512 GPRESSURE: 286800 117.087 -45.4055 -115.211 -190.334 187.271 236.153 -123.173 80.0761 -10.1368 PRESSAVG: 286800 89.8344 3.39529 -34.3444 3.3953 -37.2822 35.355 -34.3445 35.355 -32.4795 GPRESSAVG: 286800 89.8002 2.18312 -36.0852 3.70032 -37.3914 35.5221 -34.0526 34.5117 -32.2212 TIMING: 286800 CPU: 902.113, 0.00311469/step Wall: 902.113, 0.00311469/step, 4.07782 hours remaining, 233.972656 MB of memory in use. ENERGY: 286800 3953.5843 20470.5953 14486.3451 253.6249 -203300.7949 2453.7481 0.0000 0.0000 52250.4248 -109432.4724 300.2839 -161682.8971 -109075.4455 299.0403 70.6802 98.0737 760009.6949 6.6909 6.7292 PRESSURE: 287000 434.253 -66.8872 -223.94 -66.8856 446.112 -64.7921 -223.939 -64.7925 74.4942 GPRESSURE: 287000 465.244 -16.8959 -235.359 -2.52527 463.963 -23.8504 -327.055 -102.474 105.564 PRESSAVG: 287000 2.81854 17.1086 -28.5429 17.1085 48.7641 -33.7551 -28.5428 -33.755 23.7676 GPRESSAVG: 287000 3.00275 17.8668 -26.8636 16.3798 48.8728 -32.9719 -29.0856 -32.6823 23.3175 TIMING: 287000 CPU: 902.736, 0.00311638/step Wall: 902.736, 0.00311638/step, 4.07987 hours remaining, 233.972656 MB of memory in use. ENERGY: 287000 3921.1006 20424.1928 14479.5593 238.6758 -203134.4881 2796.4745 0.0000 0.0000 51942.8897 -109331.5953 298.5165 -161274.4850 -108966.7478 299.0896 318.2864 344.9234 761461.3921 25.1168 25.0644 PRESSURE: 287200 226.73 -82.4476 -310.636 -82.4477 152.805 -3.54887 -310.636 -3.54914 195.738 GPRESSURE: 287200 320.393 24.4923 -353.74 -86.8104 181.325 -74.2259 -365.584 119.561 156.096 PRESSAVG: 287200 -21.5684 17.967 -65.7705 17.967 9.99126 -21.6664 -65.7704 -21.6663 6.64237 GPRESSAVG: 287200 -22.0661 20.0449 -68.2285 16.509 10.3858 -20.1236 -64.025 -23.0676 6.43924 TIMING: 287200 CPU: 903.36, 0.00311751/step Wall: 903.36, 0.00311751/step, 4.08117 hours remaining, 233.972656 MB of memory in use. ENERGY: 287200 4015.8641 20413.2581 14526.9439 225.9104 -203243.8668 2703.8143 0.0000 0.0000 52163.3189 -109194.7569 299.7833 -161358.0759 -108836.8501 299.3772 191.7576 219.2714 760787.2406 -1.6449 -1.7470 PRESSURE: 287400 -118.922 -259.871 83.9362 -259.871 284.246 302.55 83.9359 302.55 156.647 GPRESSURE: 287400 -114.321 -137.462 86.7246 -170.14 380.66 251.669 -25.5228 215.712 156.675 PRESSAVG: 287400 -27.6589 -73.8457 -42.5501 -73.8456 18.161 44.0929 -42.5501 44.0929 -12.1283 GPRESSAVG: 287400 -27.3292 -76.244 -41.588 -70.5554 17.7973 42.1909 -43.15 43.1718 -11.8291 TIMING: 287400 CPU: 903.984, 0.00311924/step Wall: 903.984, 0.00311924/step, 4.08326 hours remaining, 233.972656 MB of memory in use. ENERGY: 287400 4045.9422 20540.6928 14548.8866 246.0207 -203274.5248 2644.1814 0.0000 0.0000 52000.0366 -109248.7644 298.8449 -161248.8010 -108905.0075 299.3173 107.3240 141.0045 762191.9379 -7.2087 -7.1203 PRESSURE: 287600 -475.446 -142.807 -15.1574 -142.807 -136.091 -73.9118 -15.1579 -73.9126 -316.604 GPRESSURE: 287600 -412.185 -172.571 -3.77205 -84.4016 -135.318 -42.404 -2.4055 -117.336 -310.709 PRESSAVG: 287600 -59.8314 -34.0651 37.6777 -34.0651 18.2425 -32.5262 37.6778 -32.5261 -25.4584 GPRESSAVG: 287600 -59.5823 -33.3249 37.6498 -36.1915 18.5466 -31.1535 37.1704 -30.5838 -25.8161 TIMING: 287600 CPU: 904.607, 0.00311774/step Wall: 904.607, 0.00311774/step, 4.08112 hours remaining, 233.972656 MB of memory in use. ENERGY: 287600 3996.6072 20503.7960 14488.5969 242.1534 -202246.6352 1741.4793 0.0000 0.0000 52034.7420 -109239.2604 299.0444 -161274.0024 -108875.2099 299.6626 -309.3806 -286.0706 762458.0004 -22.3491 -22.2839 PRESSURE: 287800 -198.968 -56.2687 -37.0384 -56.2684 -326.451 -139.833 -37.0385 -139.833 176.154 GPRESSURE: 287800 -223.054 -109.252 -146.424 -85.324 -273.194 -123.788 -62.6038 -185.449 237.233 PRESSAVG: 287800 -60.1497 -84.004 12.2177 -84.004 6.9274 -73.7003 12.2177 -73.7003 14.9916 GPRESSAVG: 287800 -59.9707 -84.8158 12.2548 -83.6006 6.45017 -74.6218 11.1383 -72.6662 15.3003 TIMING: 287800 CPU: 905.233, 0.00312821/step Wall: 905.233, 0.00312821/step, 4.09465 hours remaining, 233.972656 MB of memory in use. ENERGY: 287800 4042.4905 20456.6791 14477.3474 233.3667 -202755.1437 2238.9992 0.0000 0.0000 52382.7830 -108923.4779 301.0446 -161306.2609 -108565.4846 299.9315 -116.4215 -86.3380 761715.5353 -12.7436 -12.7401 PRESSURE: 288000 22.1833 -15.5327 61.182 -15.5321 209.93 -134.089 61.1814 -134.09 121.22 GPRESSURE: 288000 -20.7212 33.0277 69.9765 22.1482 270.828 -206.137 65.8953 -15.9084 190.969 PRESSAVG: 288000 -19.9227 5.24232 -39.6637 5.24235 -1.71478 -65.4027 -39.6637 -65.4027 4.83357 GPRESSAVG: 288000 -21.8641 6.25747 -37.7978 4.6766 -2.22518 -65.1343 -38.6907 -66.9007 6.51639 TIMING: 288000 CPU: 905.862, 0.00314452/step Wall: 905.862, 0.00314452/step, 4.11583 hours remaining, 233.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 288000 3968.4050 20276.3189 14444.5221 257.7762 -203263.0313 2864.2326 0.0000 0.0000 52202.5639 -109249.2128 300.0089 -161451.7766 -108892.2039 299.9549 117.7777 147.0250 763003.6606 -5.6013 -5.8576 PRESSURE: 288200 -122.446 -131.871 -178.796 -131.871 -73.9955 131.662 -178.796 131.662 -70.5754 GPRESSURE: 288200 -57.1728 -12.4623 -182.749 -59.9482 -59.1192 228.497 -250.03 156.255 -66.7831 PRESSAVG: 288200 0.964006 -19.593 -1.41267 -19.593 10.0975 17.866 -1.41265 17.866 -4.2988 GPRESSAVG: 288200 2.00846 -18.8085 -2.69712 -20.1 11.2127 19.1838 -2.04802 18.3495 -6.14364 TIMING: 288200 CPU: 906.489, 0.00313925/step Wall: 906.489, 0.00313925/step, 4.10876 hours remaining, 233.972656 MB of memory in use. ENERGY: 288200 3981.6209 20451.1145 14446.9784 239.2729 -203296.7923 2520.0763 0.0000 0.0000 52356.0983 -109301.6310 300.8912 -161657.7293 -108947.5279 299.9811 -89.0058 -61.0250 760003.4807 2.2542 2.3592 LDB: ============= START OF LOAD BALANCING ============== 918.939 LDB: ============== END OF LOAD BALANCING =============== 918.939 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 918.94 LDB: ============= START OF LOAD BALANCING ============== 919.254 LDB: Largest compute 7076 load 0.037202 is 19.1% of average load 0.194823 LDB: Average compute 0.004388 is 2.3% of average load 0.194823 LDB: TIME 919.257 LOAD: AVG 0.194823 MAX 0.215927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.766 MB LDB: TIME 919.258 LOAD: AVG 0.194823 MAX 0.215927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: TIME 919.258 LOAD: AVG 0.194823 MAX 0.215927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: ============== END OF LOAD BALANCING =============== 919.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 919.264 PRESSURE: 288400 -1.07388 61.075 -154.228 61.0755 164.963 195.814 -154.228 195.813 11.9441 GPRESSURE: 288400 74.5131 113.321 -204.452 33.8092 103.489 119.947 -17.2347 206.882 88.1602 PRESSAVG: 288400 -53.9897 0.852015 -42.5466 0.852051 15.8742 15.2322 -42.5465 15.2322 -10.933 GPRESSAVG: 288400 -52.9907 0.891436 -40.3235 -0.152211 15.6673 12.7898 -42.5756 14.9568 -11.1772 TIMING: 288400 CPU: 907.128, 0.00319436/step Wall: 907.128, 0.00319436/step, 4.18071 hours remaining, 234.214844 MB of memory in use. ENERGY: 288400 3957.2090 20547.2570 14422.1305 235.8806 -202954.8947 2477.2723 0.0000 0.0000 52177.1083 -109138.0371 299.8626 -161315.1454 -108776.3215 299.5974 58.6111 88.7209 761733.0235 -16.3495 -16.1669 PRESSURE: 288600 -157.152 -123.075 96.9472 -123.075 17.0556 -159.281 96.9462 -159.28 -328.651 GPRESSURE: 288600 -173.904 -157.296 8.71306 -95.8698 43.8076 -161.883 55.4831 -46.3904 -282.837 PRESSAVG: 288600 -17.755 -36.8944 -19.1402 -36.8944 37.2563 11.7054 -19.1402 11.7055 27.4238 GPRESSAVG: 288600 -19.3944 -39.1972 -19.8422 -33.1934 38.136 11.7919 -18.9872 14.791 27.8591 TIMING: 288600 CPU: 907.754, 0.0031276/step Wall: 907.754, 0.0031276/step, 4.09315 hours remaining, 234.214844 MB of memory in use. ENERGY: 288600 3952.6208 20582.2498 14539.5450 248.9159 -203126.1514 2551.3462 0.0000 0.0000 52343.2797 -108908.1939 300.8175 -161251.4736 -108535.8537 299.8320 -156.2489 -137.6447 763039.2015 15.6417 15.5336 PRESSURE: 288800 173.15 38.4821 -58.7987 38.4813 -105.499 134.052 -58.7988 134.051 244.27 GPRESSURE: 288800 44.1539 -64.2613 11.3522 -34.9449 -3.43148 57.9768 -84.6506 148.68 357.031 PRESSAVG: 288800 58.6665 26.4079 2.61743 26.4079 -56.2218 -17.06 2.61739 -17.0599 3.26098 GPRESSAVG: 288800 59.7087 28.0115 1.18203 23.383 -57.5342 -15.508 2.93961 -19.9944 3.32684 TIMING: 288800 CPU: 908.381, 0.00313681/step Wall: 908.381, 0.00313681/step, 4.10504 hours remaining, 234.214844 MB of memory in use. ENERGY: 288800 4016.0925 20543.3288 14532.6704 251.9858 -203010.9987 2516.6029 0.0000 0.0000 52115.4320 -109034.8863 299.5081 -161150.3183 -108674.7457 300.3257 103.9739 132.5845 761614.3711 1.9019 1.8338 PRESSURE: 289000 -41.4099 167.649 -67.8305 167.649 -92.8204 -247.176 -67.831 -247.175 383.212 GPRESSURE: 289000 88.8174 77.0579 -104.508 176.225 -58.0294 -245.439 -76.202 -203.842 308.001 PRESSAVG: 289000 33.3574 16.7713 -16.0063 16.7713 -28.8349 13.8314 -16.0062 13.8313 -15.5214 GPRESSAVG: 289000 32.9966 15.7336 -15.219 18.8382 -28.699 12.7306 -15.1659 13.8993 -14.9026 TIMING: 289000 CPU: 909.008, 0.00313416/step Wall: 909.008, 0.00313416/step, 4.10139 hours remaining, 234.214844 MB of memory in use. ENERGY: 289000 4006.2884 20471.4568 14514.5011 256.5396 -203444.7241 2673.0317 0.0000 0.0000 52466.3274 -109056.5790 301.5247 -161522.9064 -108686.2017 300.0720 82.9940 112.9298 761728.6799 -3.6663 -3.5350 PRESSURE: 289200 54.4186 -99.1466 -11.8936 -99.1462 73.1474 64.4785 -11.8941 64.4794 -146.039 GPRESSURE: 289200 199.538 -136.208 59.4165 -158.013 8.32386 88.0812 -167.951 -73.4009 -133.944 PRESSAVG: 289200 29.9567 -62.2803 2.41495 -62.2802 -26.5687 -26.827 2.41492 -26.827 7.28312 GPRESSAVG: 289200 30.4468 -61.7804 3.3353 -63.0947 -25.8633 -26.6871 1.48169 -27.1842 6.42968 TIMING: 289200 CPU: 909.64, 0.00315869/step Wall: 909.64, 0.00315869/step, 4.13333 hours remaining, 234.214844 MB of memory in use. ENERGY: 289200 4026.3313 20527.7440 14543.9739 242.5277 -203174.7934 2463.1451 0.0000 0.0000 52149.4989 -109221.5726 299.7039 -161371.0716 -108852.2133 300.1286 -6.1576 24.6392 760848.0531 3.5570 3.6711 PRESSURE: 289400 287.077 -99.4682 -121.652 -99.4677 -30.5749 -10.2946 -121.651 -10.294 -93.1707 GPRESSURE: 289400 270.945 -87.3169 -158.583 -93.5593 22.8748 -0.280501 -33.3831 16.3599 -56.1414 PRESSAVG: 289400 35.828 -38.2832 5.08157 -38.2832 -47.3083 -50.0048 5.08157 -50.0047 -1.72801 GPRESSAVG: 289400 35.6845 -38.6421 3.05926 -38.7052 -47.2154 -50.8155 5.586 -46.0434 -2.25161 TIMING: 289400 CPU: 910.27, 0.00315024/step Wall: 910.27, 0.00315024/step, 4.12208 hours remaining, 234.214844 MB of memory in use. ENERGY: 289400 4037.1559 20613.0891 14433.8976 243.4227 -203380.2481 2690.5509 0.0000 0.0000 52188.2261 -109173.9058 299.9265 -161362.1319 -108821.9543 299.7486 54.4439 79.2262 758511.9715 -4.4028 -4.5942 PRESSURE: 289600 63.5904 -13.323 70.8493 -13.3223 139.385 155.667 70.8486 155.667 -247.399 GPRESSURE: 289600 90.3018 37.8019 112.409 -35.3864 121.454 132.17 87.3241 41.2074 -173.032 PRESSAVG: 289600 46.8545 -31.4813 -13.915 -31.4813 -0.683953 33.6332 -13.915 33.6333 18.1377 GPRESSAVG: 289600 46.5933 -31.3195 -12.099 -32.7485 0.189033 36.4557 -12.909 29.9076 18.2134 TIMING: 289600 CPU: 910.901, 0.00315595/step Wall: 910.901, 0.00315595/step, 4.12938 hours remaining, 234.214844 MB of memory in use. ENERGY: 289600 3950.8075 20451.7888 14565.9231 241.2111 -203228.8172 2576.8534 0.0000 0.0000 52200.3347 -109241.8987 299.9960 -161442.2333 -108869.7670 299.9692 -14.8078 12.9080 760045.8254 21.4361 21.6652 PRESSURE: 289800 -401.417 -118.323 -125.523 -118.323 -295.814 195.645 -125.523 195.647 -321.024 GPRESSURE: 289800 -404.713 -144.686 -126.086 -28.2302 -308.914 240.691 -132.477 151.23 -242.255 PRESSAVG: 289800 -3.67141 -22.2256 51.5541 -22.2256 12.3636 7.15495 51.5541 7.15497 17.0905 GPRESSAVG: 289800 -4.88068 -22.7551 51.4228 -21.5035 13.2516 4.25364 50.7904 7.78693 17.3166 TIMING: 289800 CPU: 911.528, 0.00313425/step Wall: 911.528, 0.00313425/step, 4.10082 hours remaining, 234.214844 MB of memory in use. ENERGY: 289800 3967.2954 20627.3444 14552.8826 239.1150 -203338.6138 2400.8100 0.0000 0.0000 52182.9904 -109368.1760 299.8964 -161551.1664 -109006.1072 300.0958 -339.4183 -318.6272 760196.5544 8.5942 8.5625 PRESSURE: 290000 -200.431 -210.526 -161.296 -210.525 -287.193 -44.1228 -161.296 -44.1237 94.2471 GPRESSURE: 290000 -46.007 -207.956 -210.337 -155.401 -366.488 -23.0446 -171.369 -91.6201 108.798 PRESSAVG: 290000 -17.9007 -46.5244 -10.0185 -46.5244 7.25134 14.8475 -10.0185 14.8474 8.20774 GPRESSAVG: 290000 -14.9123 -46.7894 -9.1768 -44.6115 4.80639 15.7169 -10.9214 14.011 7.9696 TIMING: 290000 CPU: 912.154, 0.00313226/step Wall: 912.154, 0.00313226/step, 4.09804 hours remaining, 234.214844 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: 290000 4040.1766 20579.1972 14571.8939 246.2623 -203523.1068 2700.4194 0.0000 0.0000 52004.7411 -109380.4163 298.8720 -161385.1574 -109005.4522 299.6833 -131.1255 -101.2321 760537.6996 -0.8139 -0.7121 PRESSURE: 290200 -33.2006 -40.6946 -191.976 -40.6936 -77.9521 -11.796 -191.974 -11.797 177.399 GPRESSURE: 290200 1.28029 -65.091 -156.004 -115.601 -51.2213 16.4997 -139.973 52.2878 184.547 PRESSAVG: 290200 60.4484 13.6191 28.8147 13.6191 -24.6525 -12.1485 28.8147 -12.1485 16.6026 GPRESSAVG: 290200 58.5547 15.6637 27.9487 10.866 -24.0233 -11.9975 30.6431 -11.1416 18.2284 TIMING: 290200 CPU: 912.785, 0.00315511/step Wall: 912.785, 0.00315511/step, 4.12776 hours remaining, 234.214844 MB of memory in use. ENERGY: 290200 3968.8987 20519.1983 14558.5200 241.1332 -203546.3945 2687.5769 0.0000 0.0000 51971.8431 -109599.2243 298.6829 -161571.0673 -109234.8302 299.2771 22.0820 44.8687 761198.1054 17.4662 17.5866 PRESSURE: 290400 -363.507 23.5401 -25.7277 23.5403 -235.914 0.454213 -25.7265 0.453959 331.912 GPRESSURE: 290400 -205.37 51.9285 62.4092 -4.54608 -270.671 39.2168 -81.2011 -27.0904 308.005 PRESSAVG: 290400 -48.5882 -13.4979 34.9834 -13.4979 67.6039 8.19215 34.9834 8.19211 8.88252 GPRESSAVG: 290400 -46.1612 -15.5045 34.6398 -11.1331 66.8718 7.33603 36.3614 8.67027 7.6888 TIMING: 290400 CPU: 913.411, 0.00313015/step Wall: 913.411, 0.00313015/step, 4.09493 hours remaining, 234.214844 MB of memory in use. ENERGY: 290400 4011.5407 20479.2011 14589.3182 247.8680 -203428.2474 2553.7605 0.0000 0.0000 52011.5749 -109534.9842 298.9112 -161546.5590 -109170.9932 299.1614 -89.1696 -56.0116 762642.2981 9.2994 9.4665 PRESSURE: 290600 230.659 60.5913 42.1133 60.5921 139.154 28.3782 42.1125 28.3792 218.221 GPRESSURE: 290600 256.2 7.32731 41.3521 180.392 285.919 11.5801 9.13411 91.986 120.48 PRESSAVG: 290600 17.6627 -8.39886 17.3067 -8.39879 -10.3588 31.6336 17.3067 31.6337 -5.69649 GPRESSAVG: 290600 16.4237 -7.79209 18.0557 -8.78461 -9.95037 32.13 15.2072 33.2489 -4.96101 TIMING: 290600 CPU: 914.038, 0.00313534/step Wall: 914.038, 0.00313534/step, 4.10155 hours remaining, 234.214844 MB of memory in use. ENERGY: 290600 3968.0176 20564.9610 14504.4399 257.0442 -203482.2018 2570.9387 0.0000 0.0000 52142.7137 -109474.0867 299.6649 -161616.8004 -109116.4008 298.6811 196.0115 220.8664 761351.4952 0.5358 0.5041 PRESSURE: 290800 -123.943 217.706 69.2631 217.706 -68.7671 -42.4973 69.2629 -42.4956 -839.248 GPRESSURE: 290800 -123.075 180.93 63.7822 176.655 -63.5706 31.6661 127.125 7.89704 -764.825 PRESSAVG: 290800 20.3817 4.51203 -3.69106 4.51197 4.96687 70.2273 -3.69114 70.2272 22.2178 GPRESSAVG: 290800 18.5452 5.91034 -2.42923 3.51754 7.39311 69.6103 -3.24656 68.9426 21.8924 TIMING: 290800 CPU: 914.665, 0.00313176/step Wall: 914.665, 0.00313176/step, 4.0967 hours remaining, 234.214844 MB of memory in use. ENERGY: 290800 4004.6807 20439.6425 14517.2871 265.1875 -202869.9655 2137.3646 0.0000 0.0000 52002.9090 -109502.8941 298.8614 -161505.8031 -109141.2339 298.9767 -343.9860 -317.1570 762240.5388 15.8555 15.9436 PRESSURE: 291000 -231.102 -196.182 -5.63754 -196.182 -133.176 178.534 -5.63675 178.534 20.1657 GPRESSURE: 291000 -185.169 -181.057 -67.9563 -131.26 -91.4117 127.956 -144.538 271.668 35.2502 PRESSAVG: 291000 -25.71 -5.38525 -20.0816 -5.38531 41.061 32.1235 -20.0815 32.1235 15.4631 GPRESSAVG: 291000 -24.0707 -8.99256 -22.1983 -4.16858 39.0833 34.4743 -20.8215 30.8027 15.5168 TIMING: 291000 CPU: 915.29, 0.00312839/step Wall: 915.29, 0.00312839/step, 4.09211 hours remaining, 234.214844 MB of memory in use. ENERGY: 291000 3973.5818 20376.0671 14564.8557 233.5871 -203108.0957 2430.3267 0.0000 0.0000 52108.2299 -109421.4474 299.4667 -161529.6773 -109056.1045 299.2465 -114.7040 -80.4437 761251.8264 10.2714 10.1764 PRESSURE: 291200 -138 -101.546 -257.32 -101.547 286.115 158.318 -257.32 158.318 181.7 GPRESSURE: 291200 -158.057 -184.446 -302.992 -2.03299 223.681 95.0121 -126.474 105.486 352.535 PRESSAVG: 291200 -26.0236 15.188 -38.013 15.188 -8.84806 88.5959 -38.013 88.5959 -3.19923 GPRESSAVG: 291200 -26.0301 19.4078 -36.3395 12.9856 -9.32358 89.1202 -37.9339 88.8467 -2.45179 TIMING: 291200 CPU: 915.919, 0.00314146/step Wall: 915.919, 0.00314146/step, 4.10903 hours remaining, 234.214844 MB of memory in use. ENERGY: 291200 3971.3730 20508.7480 14543.9636 261.8854 -203131.6071 2454.1589 0.0000 0.0000 52001.5106 -109389.9676 298.8534 -161391.4782 -109035.2847 299.1336 109.9382 139.3864 762550.8365 -12.6903 -12.6018 PRESSURE: 291400 -117.344 -8.06468 -268.429 -8.06501 -350.981 87.715 -268.429 87.7156 -261.588 GPRESSURE: 291400 -79.6868 -9.15393 -285.42 -16.8871 -227.758 37.827 -211.283 122.874 -312.825 PRESSAVG: 291400 42.2936 5.98371 -49.9403 5.98372 -25.0016 17.6862 -49.9403 17.6863 -2.83898 GPRESSAVG: 291400 42.9341 3.06694 -50.7913 8.00894 -23.7586 16.9503 -50.7063 15.1992 -4.88869 TIMING: 291400 CPU: 916.542, 0.00311492/step Wall: 916.542, 0.00311492/step, 4.07414 hours remaining, 234.214844 MB of memory in use. ENERGY: 291400 3971.1297 20390.3583 14501.8252 248.7388 -202909.6570 2089.7441 0.0000 0.0000 52214.3825 -109493.4783 300.0768 -161707.8608 -109128.5201 299.5139 -243.3043 -206.7564 761135.4479 4.8177 4.7623 PRESSURE: 291600 31.3579 84.039 -94.0926 84.0388 -324.749 -93.8525 -94.0935 -93.8514 -211.264 GPRESSURE: 291600 4.84257 102.73 -103.765 -14.3307 -191.628 -109.117 -56.2623 -54.4311 -224.528 PRESSAVG: 291600 30.171 -38.3122 -45.447 -38.3122 -16.7209 1.38665 -45.4469 1.38671 7.75869 GPRESSAVG: 291600 29.4454 -35.8003 -45.8204 -40.0728 -17.0971 0.117241 -42.9477 4.27017 8.31311 TIMING: 291600 CPU: 917.169, 0.00313527/step Wall: 917.169, 0.00313527/step, 4.10059 hours remaining, 234.214844 MB of memory in use. ENERGY: 291600 3963.8758 20529.2020 14477.1834 268.3038 -203162.4048 2472.2029 0.0000 0.0000 51811.2599 -109640.3770 297.7600 -161451.6369 -109281.5440 298.8006 -168.2184 -137.1045 761949.5700 7.0696 6.8871 PRESSURE: 291800 222.224 -224.359 225.008 -224.358 407.607 97.2246 225.007 97.2249 283.955 GPRESSURE: 291800 323.853 -216.427 193.88 -137.9 399.958 146.666 192.342 116.819 261.573 PRESSAVG: 291800 17.2759 -63.0303 -17.4886 -63.0304 -24.5076 23.406 -17.4886 23.406 -3.32211 GPRESSAVG: 291800 16.4638 -66.5784 -17.3902 -61.7794 -23.5549 24.1873 -17.4334 20.971 -3.33513 TIMING: 291800 CPU: 917.792, 0.00311776/step Wall: 917.792, 0.00311776/step, 4.07751 hours remaining, 234.214844 MB of memory in use. ENERGY: 291800 3915.2254 20272.2138 14518.5962 241.9069 -203976.2650 2922.9383 0.0000 0.0000 52239.2588 -109866.1256 300.2197 -162105.3844 -109497.9164 298.2367 304.5955 328.4613 760304.7100 -3.5179 -3.4754 PRESSURE: 292000 127.625 -133.712 212.476 -133.711 247.505 -91.6528 212.476 -91.6531 81.4381 GPRESSURE: 292000 193.041 -219.606 211.735 -55.493 349.145 -42.8942 252.005 -135.019 2.42281 PRESSAVG: 292000 11.9024 -25.7948 27.7891 -25.7949 -44.129 -1.27965 27.789 -1.27968 -38.3324 GPRESSAVG: 292000 13.5792 -22.8499 28.053 -26.0589 -45.0469 -1.11724 26.8659 -0.428463 -39.0982 TIMING: 292000 CPU: 918.416, 0.00311688/step Wall: 918.416, 0.00311688/step, 4.07619 hours remaining, 234.214844 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: 292000 3985.5268 20455.5999 14464.2034 247.6812 -203477.3786 2692.5376 0.0000 0.0000 51996.6155 -109635.2143 298.8253 -161631.8298 -109261.4415 298.8080 152.1894 181.5361 760473.4157 -23.5197 -23.5220 PRESSURE: 292200 -141.717 -52.3559 79.3619 -52.3554 -101.611 107.492 79.3622 107.493 135.907 GPRESSURE: 292200 -45.9977 -100.137 78.1573 -69.4758 -90.579 89.647 151.489 47.7148 112.44 PRESSAVG: 292200 32.011 -24.3889 25.1767 -24.3889 35.2416 -18.5881 25.1767 -18.5881 0.669644 GPRESSAVG: 292200 30.8581 -24.2044 25.7061 -25.8969 35.6635 -18.4689 25.7073 -17.9934 1.3112 TIMING: 292200 CPU: 919.04, 0.00312361/step Wall: 919.04, 0.00312361/step, 4.08481 hours remaining, 234.214844 MB of memory in use. ENERGY: 292200 3954.6037 20412.9092 14484.2544 245.8491 -203724.1273 2505.4612 0.0000 0.0000 52402.5187 -109718.5310 301.1580 -162121.0498 -109354.1767 299.0039 -35.8071 -8.0456 758702.6193 22.6407 22.6109 LDB: ============= START OF LOAD BALANCING ============== 931.489 LDB: ============== END OF LOAD BALANCING =============== 931.489 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 931.491 LDB: ============= START OF LOAD BALANCING ============== 931.802 LDB: Largest compute 7076 load 0.035210 is 18.1% of average load 0.194829 LDB: Average compute 0.004395 is 2.3% of average load 0.194829 LDB: TIME 931.806 LOAD: AVG 0.194829 MAX 0.212427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.301 MB LDB: TIME 931.806 LOAD: AVG 0.194829 MAX 0.212427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.504 MB LDB: TIME 931.806 LOAD: AVG 0.194829 MAX 0.212427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.504 MB LDB: ============== END OF LOAD BALANCING =============== 931.808 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 931.813 PRESSURE: 292400 -111.785 145.846 176.793 145.846 -209.029 -55.2359 176.794 -55.2347 9.85409 GPRESSURE: 292400 -13.0229 225.475 188.893 117.116 -226.277 -46.5925 144.696 -66.5247 15.4669 PRESSAVG: 292400 50.9142 -58.0877 -6.25292 -58.0877 -18.9641 19.0801 -6.25284 19.0801 -1.22967 GPRESSAVG: 292400 50.5175 -58.5244 -5.2566 -56.042 -18.8667 18.909 -8.51954 18.7969 -0.67319 TIMING: 292400 CPU: 919.677, 0.003183/step Wall: 919.677, 0.003183/step, 4.16231 hours remaining, 235.441406 MB of memory in use. ENERGY: 292400 3953.4586 20494.6882 14515.3407 245.6539 -203468.0123 2579.7109 0.0000 0.0000 51913.0221 -109766.1379 298.3449 -161679.1600 -109399.8777 298.6771 -103.6535 -74.6110 762795.5463 10.2401 10.3258 PRESSURE: 292600 140.771 147.498 68.7625 147.498 -570.58 13.6389 68.7624 13.6382 -224.636 GPRESSURE: 292600 -3.77367 89.3776 61.766 214.899 -419.663 -38.4887 164.721 14.1139 -128.156 PRESSAVG: 292600 23.5713 14.3363 31.4256 14.3364 4.08332 -5.45649 31.4256 -5.45656 2.86582 GPRESSAVG: 292600 23.0268 12.8971 30.1276 13.97 4.70945 -7.15652 33.2278 -3.74476 3.02611 TIMING: 292600 CPU: 920.303, 0.00312895/step Wall: 920.303, 0.00312895/step, 4.09145 hours remaining, 235.644531 MB of memory in use. ENERGY: 292600 3899.5235 20601.1008 14479.4527 249.6613 -203424.7802 2539.4460 0.0000 0.0000 51842.6914 -109812.9045 297.9407 -161655.5959 -109457.9741 298.6007 -218.1483 -183.8643 761625.4698 10.1735 10.2541 PRESSURE: 292800 -318.418 68.5169 30.2331 68.517 -514.671 105.362 30.2328 105.363 -153.356 GPRESSURE: 292800 -263.124 40.7195 -29.2763 -8.83138 -441.295 39.1592 -22.934 65.5092 -205.009 PRESSAVG: 292800 57.8421 -23.7109 -28.4565 -23.7109 -76.794 -31.4654 -28.4565 -31.4655 -18.4018 GPRESSAVG: 292800 59.7674 -22.5983 -28.923 -23.8941 -78.5161 -30.6768 -28.9471 -32.1268 -19.2171 TIMING: 292800 CPU: 920.931, 0.00314232/step Wall: 920.931, 0.00314232/step, 4.10875 hours remaining, 235.644531 MB of memory in use. ENERGY: 292800 3983.7791 20642.6345 14492.9544 261.0235 -203559.1451 2462.3118 0.0000 0.0000 51752.7285 -109963.7133 297.4236 -161716.4418 -109603.8925 298.1755 -328.8150 -303.1425 761241.8430 -12.4513 -12.6552 PRESSURE: 293000 -162.197 -155.403 -111.913 -155.403 -310.84 -248.76 -111.912 -248.76 245.906 GPRESSURE: 293000 -125.148 -44.9605 -191.163 -110.433 -239.251 -308.846 -61.692 -205.184 224.326 PRESSAVG: 293000 42.9495 5.41094 4.44989 5.41094 -78.1819 -9.1067 4.44981 -9.10669 5.90774 GPRESSAVG: 293000 42.0399 6.13929 4.86991 4.90938 -77.2904 -9.97953 3.9246 -8.9932 6.51479 TIMING: 293000 CPU: 921.561, 0.00314641/step Wall: 921.561, 0.00314641/step, 4.11393 hours remaining, 235.644531 MB of memory in use. ENERGY: 293000 3961.6785 20568.2235 14549.7298 260.5091 -203855.5385 2707.8173 0.0000 0.0000 51986.0901 -109821.4904 298.7648 -161807.5804 -109467.6216 298.4216 -75.7102 -46.6908 760625.0034 -9.7749 -9.5786 PRESSURE: 293200 -159.949 152.808 16.0871 152.808 103.452 -254.362 16.0871 -254.362 -73.9733 GPRESSURE: 293200 -51.6729 127.881 20.8359 154.277 48.3588 -252.094 -57.519 -231.665 -37.3933 PRESSAVG: 293200 46.8849 14.3657 -24.2621 14.3657 -34.7806 -8.92443 -24.2621 -8.92439 1.58246 GPRESSAVG: 293200 47.1846 14.1406 -24.1415 16.041 -34.841 -8.24122 -24.7515 -8.40212 1.14116 TIMING: 293200 CPU: 922.189, 0.00314322/step Wall: 922.189, 0.00314322/step, 4.10959 hours remaining, 235.644531 MB of memory in use. ENERGY: 293200 3968.2258 20574.6872 14480.1554 248.2050 -203646.7893 2621.6362 0.0000 0.0000 52257.2786 -109496.6011 300.3233 -161753.8797 -109146.5167 298.9274 -43.4901 -13.5691 759749.9191 4.5623 4.4949 PRESSURE: 293400 -127.251 262.929 -8.77709 262.929 135.79 41.9708 -8.77649 41.9702 -79.7439 GPRESSURE: 293400 -88.7336 181.8 3.45639 212.555 166.807 104.164 75.123 56.0604 -61.3273 PRESSAVG: 293400 43.3371 -0.84808 -28.5796 -0.848111 -3.4547 -8.12345 -28.5796 -8.12349 -3.86962 GPRESSAVG: 293400 42.3012 -1.1688 -30.6237 -1.43964 -2.451 -7.63635 -27.0223 -9.55658 -3.59651 TIMING: 293400 CPU: 922.82, 0.00315388/step Wall: 922.82, 0.00315388/step, 4.12335 hours remaining, 235.644531 MB of memory in use. ENERGY: 293400 3952.6970 20587.5593 14539.8943 237.1111 -202911.4863 2302.8664 0.0000 0.0000 51678.0775 -109613.2807 296.9946 -161291.3582 -109245.8302 299.6028 -23.7349 5.5821 761570.0384 12.0043 12.0846 PRESSURE: 293600 -418.429 32.9881 -65.3653 32.9885 -455.678 -29.6723 -65.3655 -29.6733 78.1592 GPRESSURE: 293600 -357.567 25.1438 -100.638 28.306 -423.832 -79.8497 -152.276 -94.6643 69.3013 PRESSAVG: 293600 -35.1217 -10.0608 -23.1256 -10.0608 34.0919 7.62597 -23.1257 7.62592 6.64253 GPRESSAVG: 293600 -35.2075 -10.6665 -21.7849 -9.43219 33.38 8.17918 -23.8295 8.36008 7.30095 TIMING: 293600 CPU: 923.449, 0.00314531/step Wall: 923.449, 0.00314531/step, 4.11197 hours remaining, 235.644531 MB of memory in use. ENERGY: 293600 3966.8827 20439.8153 14519.1522 238.8302 -203099.7660 2338.8903 0.0000 0.0000 51909.8800 -109686.3153 298.3268 -161596.1953 -109320.2972 298.8432 -265.3160 -237.3658 761594.5134 1.8709 1.8245 PRESSURE: 293800 118.193 19.708 -9.96933 19.7083 -179.748 -51.0111 -9.97011 -51.0114 -356.681 GPRESSURE: 293800 113.418 56.9357 145.978 -24.2177 -144.617 53.2075 -14.6004 -101.232 -294.995 PRESSAVG: 293800 -40.3805 -3.04755 -4.71693 -3.04753 43.4666 4.75127 -4.71692 4.75131 9.23968 GPRESSAVG: 293800 -39.1981 -1.56998 -4.31087 -3.54635 42.0595 3.63188 -6.36912 4.18449 9.23141 TIMING: 293800 CPU: 924.08, 0.00315416/step Wall: 924.08, 0.00315416/step, 4.12336 hours remaining, 235.644531 MB of memory in use. ENERGY: 293800 3970.5396 20505.0057 14592.8866 243.3890 -203439.9820 2664.8495 0.0000 0.0000 51808.0387 -109655.2730 297.7415 -161463.3117 -109300.2747 298.9347 -139.4120 -108.7312 762631.8365 4.1086 4.0309 PRESSURE: 294000 -161.792 20.8142 -44.8571 20.8143 -94.1284 131.713 -44.8567 131.713 27.3757 GPRESSURE: 294000 -94.9452 2.46546 7.96998 4.55037 -77.9245 152.805 -135.562 30.2655 25.2598 PRESSAVG: 294000 -39.8526 23.4671 14.0498 23.4671 20.7462 -1.09173 14.0498 -1.09167 -21.0612 GPRESSAVG: 294000 -39.1571 23.739 12.9064 23.3595 20.9907 -1.93686 15.8498 -1.00529 -21.8053 TIMING: 294000 CPU: 924.708, 0.00314293/step Wall: 924.708, 0.00314293/step, 4.10851 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: 294000 4028.0589 20584.0030 14564.0188 264.1628 -203457.0596 2747.4425 0.0000 0.0000 51431.9664 -109837.4073 295.5802 -161269.3736 -109491.9873 298.6163 -76.1814 -49.2033 760752.9483 -13.3892 -13.3239 PRESSURE: 294200 -138.397 146.3 132.673 146.3 69.4816 -32.0753 132.673 -32.0751 -58.8211 GPRESSURE: 294200 -64.8842 165.415 126.746 147.314 29.7623 -86.4267 255.662 -55.0615 -7.15233 PRESSAVG: 294200 -43.4834 -26.2695 -12.2849 -26.2695 22.9513 -3.11957 -12.285 -3.11956 -5.40209 GPRESSAVG: 294200 -45.5645 -27.7842 -10.7804 -26.5216 24.5299 -2.11798 -12.698 -2.61065 -5.25969 TIMING: 294200 CPU: 925.34, 0.00315583/step Wall: 925.34, 0.00315583/step, 4.1252 hours remaining, 235.644531 MB of memory in use. ENERGY: 294200 3943.8438 20308.1998 14536.4829 256.8108 -203445.4626 2658.8784 0.0000 0.0000 52049.4075 -109691.8394 299.1287 -161741.2469 -109329.9204 298.6565 -42.5789 -14.0914 760794.5873 -8.6447 -8.7648 PRESSURE: 294400 -158.902 -108.492 61.2482 -108.492 -212.493 -126.589 61.2483 -126.588 154.742 GPRESSURE: 294400 -83.1225 -7.71258 9.77779 -100.17 -158.688 -47.0381 -45.0784 -58.6958 93.1552 PRESSAVG: 294400 -38.4632 -8.37994 24.6181 -8.37994 -14.2666 5.87238 24.6181 5.87238 5.61323 GPRESSAVG: 294400 -37.9411 -7.36294 23.5792 -9.11495 -14.3901 5.71772 24.0687 7.2829 4.95014 TIMING: 294400 CPU: 925.971, 0.00315796/step Wall: 925.971, 0.00315796/step, 4.1278 hours remaining, 235.644531 MB of memory in use. ENERGY: 294400 3953.8604 20639.8492 14451.4677 242.7825 -203504.1585 2670.4597 0.0000 0.0000 51817.3259 -109728.4131 297.7949 -161545.7390 -109368.1275 298.6145 -72.2178 -49.5517 760333.3593 -15.7055 -15.7937 PRESSURE: 294600 -7.39211 -121.974 155.13 -121.975 -313.467 2.97111 155.129 2.97072 19.08 GPRESSURE: 294600 27.0789 -93.1496 225.987 -141.872 -299.861 -2.53278 124.232 28.4171 62.3956 PRESSAVG: 294600 7.52844 -42.5125 35.8987 -42.5125 -8.81487 -10.6818 35.8987 -10.6818 -11.0895 GPRESSAVG: 294600 9.12252 -42.2252 36.4053 -42.0258 -10.877 -10.3111 36.5318 -11.02 -9.96042 TIMING: 294600 CPU: 926.603, 0.00315848/step Wall: 926.603, 0.00315848/step, 4.12832 hours remaining, 235.644531 MB of memory in use. ENERGY: 294600 3982.0306 20467.5196 14464.1607 226.9967 -203586.6375 2694.7803 0.0000 0.0000 51729.2919 -110021.8577 297.2890 -161751.1496 -109658.9710 298.1182 -100.5930 -70.1289 761349.2048 -4.1253 -3.9050 PRESSURE: 294800 -170.693 10.2456 -143.428 10.2457 -10.2836 -77.6897 -143.429 -77.6901 242.751 GPRESSURE: 294800 -88.823 78.5934 -166.048 -22.7822 -17.027 -23.3515 -173.594 -101.342 260.909 PRESSAVG: 294800 -8.20903 -53.5986 -14.6205 -53.5986 40.8963 4.39127 -14.6205 4.39126 11.8202 GPRESSAVG: 294800 -8.50237 -53.6711 -14.7162 -52.4303 41.9668 4.42181 -14.9151 2.94097 11.3507 TIMING: 294800 CPU: 927.231, 0.00313975/step Wall: 927.231, 0.00313975/step, 4.10365 hours remaining, 235.644531 MB of memory in use. ENERGY: 294800 4047.7420 20448.1828 14493.1454 233.2702 -203563.0952 2741.0487 0.0000 0.0000 51846.5717 -109753.1345 297.9630 -161599.7062 -109392.3726 298.0835 20.5916 51.6864 760829.9893 14.8358 14.9384 PRESSURE: 295000 -92.0394 -291.601 298.269 -291.601 -498.618 219.6 298.27 219.6 -222.874 GPRESSURE: 295000 -165.344 -294.852 224.941 -291.041 -342.173 283.382 165.957 77.9653 -195.804 PRESSAVG: 295000 -17.8573 -22.5736 -34.227 -22.5737 8.08665 -11.3049 -34.2271 -11.3049 19.4798 GPRESSAVG: 295000 -19.3883 -22.0521 -34.8593 -24.6622 9.37455 -10.4499 -30.4333 -12.0721 19.5925 TIMING: 295000 CPU: 927.867, 0.00318241/step Wall: 927.867, 0.00318241/step, 4.15924 hours remaining, 235.644531 MB of memory in use. ENERGY: 295000 3985.1557 20400.8796 14491.0637 263.5183 -203470.1503 2436.9437 0.0000 0.0000 52108.1478 -109784.4415 299.4662 -161892.5893 -109428.6711 298.7289 -271.1770 -234.4402 760810.8167 3.2364 3.1929 PRESSURE: 295200 136.496 177.296 -42.2637 177.296 -55.5711 -125.682 -42.2623 -125.683 359.424 GPRESSURE: 295200 170.3 180.122 -9.56954 -6.1772 -29.0422 -249.838 25.4728 -37.706 370.36 PRESSAVG: 295200 58.7871 -32.0008 -3.51277 -32.0007 -36.531 21.05 -3.51271 21.0501 31.1681 GPRESSAVG: 295200 60.3618 -32.4985 -2.08289 -30.8626 -37.4539 19.3026 -5.927 21.7666 30.4824 TIMING: 295200 CPU: 928.501, 0.00316674/step Wall: 928.501, 0.00316674/step, 4.13858 hours remaining, 235.644531 MB of memory in use. ENERGY: 295200 3951.5624 20458.6516 14492.0818 258.7789 -203460.4248 2652.3666 0.0000 0.0000 51846.4829 -109800.5007 297.9624 -161646.9836 -109433.0254 298.3520 146.7830 170.5394 758252.2394 17.8080 17.7967 PRESSURE: 295400 -187.777 174.427 -36.1638 174.426 159.766 31.619 -36.1637 31.6188 174.453 GPRESSURE: 295400 -102.639 124.348 -42.6409 205.784 144.606 3.17834 -113.714 45.3989 166.39 PRESSAVG: 295400 -17.3799 -35.8162 29.8082 -35.8162 2.22097 11.6591 29.8082 11.6591 -18.77 GPRESSAVG: 295400 -16.638 -36.5094 28.9017 -35.5978 1.01239 12.174 29.883 12.9653 -18.261 TIMING: 295400 CPU: 929.13, 0.00314569/step Wall: 929.13, 0.00314569/step, 4.1109 hours remaining, 235.644531 MB of memory in use. ENERGY: 295400 3879.7136 20645.5883 14544.5622 247.5929 -203538.5698 2643.0123 0.0000 0.0000 51791.4433 -109786.6572 297.6461 -161578.1006 -109428.8515 298.2200 48.8144 69.4521 760620.9280 -11.3097 -11.2955 PRESSURE: 295600 -68.0546 -259.157 -77.0621 -259.157 -192.816 -7.28644 -77.0625 -7.28639 204.684 GPRESSURE: 295600 3.04983 -197.557 -1.77155 -213.446 -94.9914 48.7445 -23.9041 -89.2986 92.2659 PRESSAVG: 295600 -27.8674 -42.0985 -15.9143 -42.0984 47.5474 27.4268 -15.9143 27.4267 3.42 GPRESSAVG: 295600 -28.4314 -42.8083 -16.4901 -43.0421 48.5298 27.5653 -16.1432 26.9054 2.7931 TIMING: 295600 CPU: 929.762, 0.00315837/step Wall: 929.762, 0.00315837/step, 4.12728 hours remaining, 235.644531 MB of memory in use. ENERGY: 295600 3973.7118 20538.5378 14477.7513 252.7608 -203327.6766 2501.0995 0.0000 0.0000 51758.2431 -109825.5722 297.4553 -161583.8153 -109464.1102 298.4466 -18.7292 0.1081 760748.9692 7.7000 7.6305 PRESSURE: 295800 -230.218 -99.4049 142.914 -99.4059 34.6398 -16.2868 142.913 -16.2871 322.586 GPRESSURE: 295800 -214.792 -45.0699 98.4537 20.4376 116.916 -70.1914 100.969 106.479 309.702 PRESSAVG: 295800 0.424329 -35.3751 1.14087 -35.375 -28.1021 -5.7407 1.14087 -5.74069 2.7297 GPRESSAVG: 295800 -0.754279 -32.2051 1.36929 -35.9579 -28.3464 -4.29207 2.33389 -4.74458 4.36072 TIMING: 295800 CPU: 930.388, 0.00313284/step Wall: 930.388, 0.00313284/step, 4.09376 hours remaining, 235.644531 MB of memory in use. ENERGY: 295800 3979.7146 20404.2703 14581.4699 241.0563 -203440.0801 2502.2315 0.0000 0.0000 51989.6555 -109741.6819 298.7853 -161731.3374 -109383.1668 297.8743 42.3357 70.6087 760965.9781 -8.3160 -8.2467 PRESSURE: 296000 86.8473 69.8493 2.51162 69.8487 19.9677 -158.831 2.51174 -158.831 -91.5133 GPRESSURE: 296000 138.512 49.161 -84.0545 63.8021 -8.93581 -76.9126 176.143 -205.074 -16.6666 PRESSAVG: 296000 -23.1416 -50.5573 40.9719 -50.5573 -27.7227 57.5574 40.9719 57.5574 13.3932 GPRESSAVG: 296000 -22.4322 -52.193 41.3291 -50.3631 -27.3344 56.7963 39.1606 53.945 12.0654 TIMING: 296000 CPU: 931.017, 0.00314515/step Wall: 931.017, 0.00314515/step, 4.10966 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: 296000 3950.2716 20443.4250 14517.0171 254.8500 -203224.5333 2637.1731 0.0000 0.0000 51990.8042 -109430.9922 298.7919 -161421.7965 -109068.7530 298.6947 5.1005 37.6366 761853.4859 -12.4904 -12.5671 PRESSURE: 296200 -458.49 -210.946 -184.998 -210.948 -479.522 -4.76019 -184.998 -4.75952 -589.387 GPRESSURE: 296200 -389.734 -174.48 -162.615 -200.054 -471.353 98.0184 -109.741 -131.293 -574.628 PRESSAVG: 296200 4.14246 -17.7976 29.5532 -17.7975 -11.4318 -15.5988 29.5533 -15.5989 1.74961 GPRESSAVG: 296200 3.60947 -19.8194 29.8312 -14.4461 -10.6053 -14.8246 32.6346 -15.8559 1.56018 TIMING: 296200 CPU: 931.644, 0.00313387/step Wall: 931.644, 0.00313387/step, 4.09475 hours remaining, 235.644531 MB of memory in use. ENERGY: 296200 4059.8531 20491.0513 14613.7459 231.1516 -203089.1061 2263.7667 0.0000 0.0000 52034.5609 -109394.9767 299.0433 -161429.5376 -109033.5085 298.7723 -509.1333 -478.5717 762792.3900 -1.8466 -1.8119 LDB: ============= START OF LOAD BALANCING ============== 944.093 LDB: ============== END OF LOAD BALANCING =============== 944.093 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 944.095 LDB: ============= START OF LOAD BALANCING ============== 944.411 LDB: Largest compute 7076 load 0.034705 is 17.8% of average load 0.194936 LDB: Average compute 0.004396 is 2.3% of average load 0.194936 LDB: TIME 944.414 LOAD: AVG 0.194936 MAX 0.216685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 944.414 LOAD: AVG 0.194936 MAX 0.216685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 944.415 LOAD: AVG 0.194936 MAX 0.216685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 944.416 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 944.421 PRESSURE: 296400 -35.0845 -109.388 55.39 -109.388 -158.579 -54.0063 55.3899 -54.0074 -118.035 GPRESSURE: 296400 30.5686 -73.6097 59.018 -29.9129 -147.296 -128.769 33.3763 60.7538 -119.05 PRESSAVG: 296400 -26.2431 -59.7883 -18.694 -59.7883 -19.4576 26.305 -18.694 26.305 -10.0072 GPRESSAVG: 296400 -25.3113 -57.264 -17.9217 -62.7531 -20.9209 26.03 -19.8146 27.9726 -9.77982 TIMING: 296400 CPU: 932.285, 0.003207/step Wall: 932.285, 0.003207/step, 4.19012 hours remaining, 235.953125 MB of memory in use. ENERGY: 296400 4036.6208 20462.8292 14601.9294 232.5639 -203196.7145 2404.2415 0.0000 0.0000 52025.6907 -109432.8389 298.9924 -161458.5295 -109082.1289 298.9123 -103.8993 -78.5925 761439.6366 -18.5693 -18.6707 PRESSURE: 296600 285.36 -21.3152 -17.5184 -21.3152 4.40662 -257.162 -17.519 -257.161 219.336 GPRESSURE: 296600 302.435 -117.035 64.1688 -195.519 51.6385 -194.942 13.8846 -256.687 239.696 PRESSAVG: 296600 15.6991 -18.6414 7.46074 -18.6414 1.70701 -7.51851 7.4607 -7.51852 -2.93767 GPRESSAVG: 296600 15.6354 -19.7092 6.1612 -17.2985 2.00644 -9.42463 7.47889 -7.41368 -3.36782 TIMING: 296600 CPU: 932.917, 0.003156/step Wall: 932.917, 0.003156/step, 4.12332 hours remaining, 236.156250 MB of memory in use. ENERGY: 296600 3979.5503 20438.1611 14618.6605 230.9408 -203072.7226 2558.0005 0.0000 0.0000 51982.1869 -109265.2225 298.7423 -161247.4093 -108904.2815 299.2080 169.7008 197.9234 762063.7073 4.8228 4.7580 PRESSURE: 296800 -162.691 -96.3803 91.714 -96.3803 -34.3856 -59.8711 91.7138 -59.8715 -137.736 GPRESSURE: 296800 -80.1902 -131.123 12.7218 -107.351 -35.1747 -5.62023 138.59 -227.781 -136.172 PRESSAVG: 296800 32.1176 20.0762 -25.4031 20.0762 -47.2957 20.1261 -25.4032 20.1261 12.3573 GPRESSAVG: 296800 32.6833 20.9939 -25.4537 19.1376 -47.7506 21.6135 -25.1873 20.8298 12.3175 TIMING: 296800 CPU: 933.542, 0.00312979/step Wall: 933.542, 0.00312979/step, 4.0889 hours remaining, 236.156250 MB of memory in use. ENERGY: 296800 3936.3878 20474.5687 14448.9343 265.1925 -202943.2208 2381.8504 0.0000 0.0000 52314.9799 -109121.3071 300.6549 -161436.2870 -108751.3952 299.2891 -111.6040 -83.8455 761337.7456 -0.9403 -0.9166 PRESSURE: 297000 -109.621 -111.641 -99.4591 -111.641 -76.0887 -32.8469 -99.4586 -32.8465 -269.653 GPRESSURE: 297000 -163.304 -107.713 -61.2969 -53.0732 -3.45581 -58.9613 -141.516 11.3524 -190.223 PRESSAVG: 297000 70.1951 27.3 -4.47726 27.3 -21.372 -5.1064 -4.4772 -5.10642 10.0199 GPRESSAVG: 297000 68.7423 25.0841 -3.34456 27.259 -20.9797 -6.75197 -3.44555 -4.99445 10.7297 TIMING: 297000 CPU: 934.175, 0.00316069/step Wall: 934.175, 0.00316069/step, 4.12909 hours remaining, 236.156250 MB of memory in use. ENERGY: 297000 4076.0077 20432.7119 14434.7137 239.2892 -203180.7995 2583.9900 0.0000 0.0000 52116.1676 -109297.9193 299.5123 -161414.0869 -108938.6050 299.2922 -151.7879 -118.9943 760064.2168 19.6144 19.4975 PRESSURE: 297200 63.7257 126.072 139.873 126.073 -384.517 124.701 139.873 124.702 70.8611 GPRESSURE: 297200 107.663 141.896 148.693 72.0163 -287.06 146.602 -35.7961 45.7209 10.5035 PRESSAVG: 297200 9.24868 15.0064 58.3101 15.0064 -19.9913 18.2889 58.3101 18.2889 -31.0198 GPRESSAVG: 297200 10.1374 16.3888 58.6591 14.8326 -20.1528 20.237 55.1912 17.3845 -31.658 TIMING: 297200 CPU: 934.806, 0.0031579/step Wall: 934.806, 0.0031579/step, 4.12527 hours remaining, 236.156250 MB of memory in use. ENERGY: 297200 3957.0517 20467.0225 14574.7442 255.7568 -203098.9872 2485.9608 0.0000 0.0000 52047.4553 -109310.9959 299.1174 -161358.4512 -108942.5494 299.4702 -83.3100 -56.2977 761429.5480 -13.9208 -13.8911 PRESSURE: 297400 -254.036 122.682 -96.6288 122.683 233.078 23.8786 -96.6276 23.8771 -293.217 GPRESSURE: 297400 -259.453 126.721 -72.1358 99.2684 277.193 105.451 -62.5945 -22.53 -255.698 PRESSAVG: 297400 40.8495 -56.344 18.2404 -56.344 -31.2474 -11.4697 18.2403 -11.4697 34.2509 GPRESSAVG: 297400 39.7276 -55.9728 17.1031 -56.6225 -30.0547 -11.3977 21.1653 -9.86959 33.8262 TIMING: 297400 CPU: 935.436, 0.00315091/step Wall: 935.436, 0.00315091/step, 4.11596 hours remaining, 236.156250 MB of memory in use. ENERGY: 297400 3922.4323 20521.7174 14454.7726 245.8485 -203261.4946 2567.7357 0.0000 0.0000 52030.0222 -109518.9660 299.0173 -161548.9882 -109155.3696 299.3632 -104.7249 -79.3194 761169.4378 14.6177 14.4997 PRESSURE: 297600 286.777 -190.755 -16.6087 -190.755 31.3518 18.2011 -16.6083 18.2009 228.474 GPRESSURE: 297600 341.902 -203.967 8.42999 -220.186 124.389 41.9854 -163.517 -87.7699 176.572 PRESSAVG: 297600 51.5413 -78.7423 35.2594 -78.7423 -78.3301 35.361 35.2593 35.3611 -10.9512 GPRESSAVG: 297600 52.5874 -79.0269 35.1907 -79.1659 -80.2054 35.6812 35.6453 31.7182 -10.0887 TIMING: 297600 CPU: 936.068, 0.00315899/step Wall: 936.068, 0.00315899/step, 4.12634 hours remaining, 236.156250 MB of memory in use. ENERGY: 297600 3908.1994 20424.4758 14453.5057 242.9284 -202959.8324 2438.8725 0.0000 0.0000 51953.5326 -109538.3179 298.5777 -161491.8505 -109184.6671 298.6337 182.2009 214.2876 762191.4523 -12.5800 -12.5689 PRESSURE: 297800 41.0187 -108.122 367.28 -108.122 -152.872 83.3108 367.28 83.3121 -82.8353 GPRESSURE: 297800 123.09 -75.385 439.376 -14.6397 -164.44 -26.7612 164.852 168.237 -67.6858 PRESSAVG: 297800 -10.9708 -74.352 19.1002 -74.352 -7.86649 -8.57974 19.1002 -8.5797 8.20735 GPRESSAVG: 297800 -11.2546 -74.326 20.196 -73.6096 -8.56991 -10.9606 17.3024 -6.07825 8.87505 TIMING: 297800 CPU: 936.698, 0.00314742/step Wall: 936.698, 0.00314742/step, 4.11106 hours remaining, 236.156250 MB of memory in use. ENERGY: 297800 4009.6626 20498.2445 14547.8593 230.9972 -203292.3844 2564.5142 0.0000 0.0000 51882.0761 -109559.0306 298.1670 -161441.1066 -109215.2653 298.7406 -64.8962 -36.3454 761001.4943 -3.5433 -3.6498 PRESSURE: 298000 -248.438 -9.25437 -69.4586 -9.25463 -170.637 -122.112 -69.4588 -122.111 -67.5294 GPRESSURE: 298000 -197.389 -41.8101 18.6846 -32.5207 -128.584 9.563 -7.52837 -171.539 -68.9402 PRESSAVG: 298000 9.0421 -44.1869 -8.31536 -44.1869 -17.9716 -29.5656 -8.31538 -29.5656 -25.6507 GPRESSAVG: 298000 9.72213 -44.6199 -9.12552 -44.4121 -17.5641 -27.7035 -6.46163 -27.8146 -26.5694 TIMING: 298000 CPU: 937.326, 0.00314055/step Wall: 937.326, 0.00314055/step, 4.10191 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: 298000 3958.5272 20258.9093 14456.4971 260.3287 -202794.6709 2176.4338 0.0000 0.0000 52119.3971 -109564.5776 299.5309 -161683.9747 -109197.6406 299.0889 -162.2015 -131.6377 761672.0396 -11.5268 -11.4705 PRESSURE: 298200 192.412 199.271 162.858 199.271 163.146 -38.3902 162.858 -38.3904 57.9772 GPRESSURE: 298200 129.433 81.2413 116.321 105.969 281.905 17.4985 123.753 19.9332 89.8732 PRESSAVG: 298200 61.6118 -40.1208 -25.7144 -40.1208 -28.6644 15.5596 -25.7144 15.5596 25.3636 GPRESSAVG: 298200 62.0579 -39.9425 -26.2762 -40.6019 -28.6625 15.1009 -25.5506 15.3144 25.1229 TIMING: 298200 CPU: 937.957, 0.0031563/step Wall: 937.957, 0.0031563/step, 4.1223 hours remaining, 236.156250 MB of memory in use. ENERGY: 298200 3938.2943 20452.7937 14504.4696 222.2533 -203243.3299 2301.7085 0.0000 0.0000 52302.3097 -109521.5007 300.5821 -161823.8104 -109160.2302 299.0579 137.8453 167.0701 759080.8127 19.4370 19.5061 PRESSURE: 298400 -191.426 38.6568 124.281 38.657 322.256 130.492 124.281 130.491 -312.312 GPRESSURE: 298400 -104.388 -11.3449 98.0599 134.852 326.391 13.5892 -49.0083 4.99275 -294.271 PRESSAVG: 298400 -27.5282 -33.7689 -26.5221 -33.7689 57.2363 -32.1639 -26.522 -32.164 -14.3688 GPRESSAVG: 298400 -27.9919 -31.2349 -27.5506 -33.2011 56.9975 -33.4397 -28.7024 -33.733 -13.5993 TIMING: 298400 CPU: 938.588, 0.00315577/step Wall: 938.588, 0.00315577/step, 4.12144 hours remaining, 236.156250 MB of memory in use. ENERGY: 298400 3940.4822 20512.9254 14477.4819 242.5421 -203197.2831 2362.9242 0.0000 0.0000 51880.7124 -109780.2149 298.1592 -161660.9272 -109419.1094 298.5632 -60.4941 -24.0894 760557.0186 5.1131 5.1354 PRESSURE: 298600 16.5592 -88.5806 -118.248 -88.5809 -303.583 28.4678 -118.249 28.4676 -310.354 GPRESSURE: 298600 77.2582 0.637748 -96.2677 -147.728 -250.028 6.11766 -70.9023 73.2902 -351.406 PRESSAVG: 298600 1.6315 -46.2308 -19.748 -46.2308 3.31947 -26.5286 -19.7479 -26.5287 -20.1824 GPRESSAVG: 298600 0.296859 -47.0054 -16.8968 -46.981 3.92602 -25.4893 -16.712 -25.9092 -19.4751 TIMING: 298600 CPU: 939.219, 0.00315556/step Wall: 939.219, 0.00315556/step, 4.12098 hours remaining, 236.156250 MB of memory in use. ENERGY: 298600 3946.3713 20373.4532 14493.9304 255.0540 -203189.7989 2489.2319 0.0000 0.0000 52166.8579 -109464.9003 299.8036 -161631.7582 -109095.2507 298.7229 -199.1258 -174.7252 761484.8485 -5.0771 -5.0841 PRESSURE: 298800 167.302 -32.3235 -14.6521 -32.3231 -53.955 -5.84553 -14.6514 -5.84626 -99.6341 GPRESSURE: 298800 199.944 83.0687 8.17215 -54.8815 -5.61368 19.2532 -68.2083 64.7156 -88.4767 PRESSAVG: 298800 43.0637 -70.0531 -52.3802 -70.0531 -107.952 -17.6165 -52.3802 -17.6166 6.57431 GPRESSAVG: 298800 44.2642 -72.0722 -53.6542 -69.697 -108.728 -17.8735 -54.0562 -17.9925 5.67031 TIMING: 298800 CPU: 939.846, 0.00313403/step Wall: 939.846, 0.00313403/step, 4.0927 hours remaining, 236.156250 MB of memory in use. ENERGY: 298800 3959.4695 20398.2176 14534.6533 266.6659 -202920.8563 2463.5780 0.0000 0.0000 51600.9227 -109697.3493 296.5512 -161298.2720 -109338.3627 298.6101 4.5710 35.2844 761423.9294 -19.4379 -19.5979 PRESSURE: 299000 -71.6247 100.413 -196.315 100.412 -325.786 87.1424 -196.315 87.1436 70.0475 GPRESSURE: 299000 -178.557 -20.2002 -228.981 50.7294 -186.789 65.6926 -177.649 117.673 92.1061 PRESSAVG: 299000 22.3115 -9.70267 -37.6724 -9.70268 19.4364 27.6668 -37.6724 27.6668 -0.593098 GPRESSAVG: 299000 21.9662 -9.12232 -38.1073 -11.8105 19.3443 27.6179 -38.8128 28.3205 -0.392617 TIMING: 299000 CPU: 940.478, 0.00316051/step Wall: 940.478, 0.00316051/step, 4.1271 hours remaining, 236.156250 MB of memory in use. ENERGY: 299000 3875.3751 20403.6177 14464.0274 247.2690 -203112.3679 2261.1504 0.0000 0.0000 52150.2971 -109710.6311 299.7085 -161860.9282 -109347.4001 298.0793 -109.1211 -91.0801 761810.5138 13.7183 13.6393 PRESSURE: 299200 435.769 -4.88509 -172.99 -4.88493 326.753 -50.2351 -172.989 -50.236 -352.385 GPRESSURE: 299200 390.053 -40.8224 -152.139 47.1195 388.169 -86.8067 -163.139 -106.082 -283.5 PRESSAVG: 299200 58.2205 -52.4461 -26.7797 -52.4461 -67.4962 23.7927 -26.7797 23.7927 -19.9909 GPRESSAVG: 299200 58.6355 -52.2177 -25.2401 -50.5031 -68.223 24.225 -23.69 23.3949 -19.8768 TIMING: 299200 CPU: 941.112, 0.00316667/step Wall: 941.112, 0.00316667/step, 4.13497 hours remaining, 236.156250 MB of memory in use. ENERGY: 299200 3940.3165 20474.4038 14463.4028 235.3664 -203827.8691 2955.5917 0.0000 0.0000 51936.5688 -109822.2191 298.4802 -161758.7879 -109467.3559 298.3458 136.7124 164.9076 761211.0937 -9.7555 -9.8214 PRESSURE: 299400 -217.459 11.3275 -35.0438 11.3275 478.514 -37.1124 -35.0441 -37.1121 117.34 GPRESSURE: 299400 -106.786 -60.6613 1.70698 -57.9989 472.729 -100.376 -40.3045 60.9011 116.361 PRESSAVG: 299400 -9.01401 -71.2134 -1.73729 -71.2134 -2.94912 17.6338 -1.73733 17.6339 4.04493 GPRESSAVG: 299400 -8.6247 -72.2759 -1.54196 -71.5058 -2.93156 18.8446 -3.33545 18.0376 3.49709 TIMING: 299400 CPU: 941.742, 0.00315037/step Wall: 941.742, 0.00315037/step, 4.11351 hours remaining, 236.156250 MB of memory in use. ENERGY: 299400 3865.6224 20526.6197 14509.7506 230.0801 -203349.8705 2695.7865 0.0000 0.0000 51744.7227 -109777.2884 297.3776 -161522.0111 -109420.3905 298.0234 126.1318 160.7681 760139.6466 -2.6394 -2.6864 PRESSURE: 299600 -53.8105 147.817 -72.9839 147.818 110.562 -4.36473 -72.9839 -4.36454 24.522 GPRESSURE: 299600 -67.5415 180.597 -13.8078 194.985 147.905 76.2697 -49.738 -17.3964 86.3759 PRESSAVG: 299600 -8.31042 -24.2431 14.2467 -24.2431 19.9825 0.801893 14.2467 0.801974 13.9126 GPRESSAVG: 299600 -8.77802 -26.7871 11.8323 -23.8982 21.2922 -0.627043 15.7608 1.69637 13.5373 TIMING: 299600 CPU: 942.369, 0.00313635/step Wall: 942.369, 0.00313635/step, 4.09503 hours remaining, 236.156250 MB of memory in use. ENERGY: 299600 3893.8943 20526.7455 14569.7092 243.1387 -202964.3894 2285.0618 0.0000 0.0000 51851.3558 -109594.4841 297.9905 -161445.8399 -109229.2817 298.5318 27.0913 55.5799 761630.0499 8.5282 8.6838 PRESSURE: 299800 96.1638 -190.866 170.846 -190.866 227.524 41.0438 170.845 41.0433 104.424 GPRESSURE: 299800 167.541 -192.161 228.043 -236.588 205.972 -7.32321 138.526 72.955 145.563 PRESSAVG: 299800 13.0581 -67.7105 -23.9172 -67.7105 8.20274 -0.404213 -23.9172 -0.40417 -24.6754 GPRESSAVG: 299800 14.2398 -65.3717 -22.2642 -69.5458 6.89352 -0.337788 -26.3237 -1.28182 -24.6889 TIMING: 299800 CPU: 942.997, 0.00313966/step Wall: 942.997, 0.00313966/step, 4.09917 hours remaining, 236.156250 MB of memory in use. ENERGY: 299800 3974.6086 20465.0344 14577.2704 257.5617 -203530.9517 2611.8068 0.0000 0.0000 51996.2936 -109648.3762 298.8234 -161644.6698 -109282.5844 298.6114 142.7039 173.0252 758565.7647 -1.1382 -1.1852 WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.005 seconds, 236.156 MB of memory in use WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.014 seconds, 236.156 MB of memory in use PRESSURE: 300000 62.9968 -213.039 -187.822 -213.039 -399.491 -87.901 -187.822 -87.901 -26.1517 GPRESSURE: 300000 41.2507 -241.267 -230.007 -229.005 -307.291 -17.0981 -152.299 -87.4231 -21.2534 PRESSAVG: 300000 42.678 -56.4341 -30.9795 -56.4341 -21.9195 31.9426 -30.9795 31.9426 -6.96333 GPRESSAVG: 300000 43.8766 -55.2063 -29.7106 -54.7444 -21.7949 31.1448 -29.5929 34.2365 -7.08971 TIMING: 300000 CPU: 943.649, 0.00325884/step Wall: 943.649, 0.00325884/step, 4.2546 hours remaining, 236.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 300000 3934.5179 20507.6952 14491.2353 237.5420 -203359.6380 2533.3961 0.0000 0.0000 51987.6917 -109667.5598 298.7740 -161655.2515 -109306.5475 298.3791 -120.8819 -95.7645 762035.1432 4.5984 4.9973 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 PRESSURE: 300200 326.148 43.5447 222.085 43.545 -48.3255 30.2548 222.086 30.2544 -341.722 GPRESSURE: 300200 352.101 -101.701 173.117 71.9304 -30.1221 129.705 159.167 -124.475 -285.735 PRESSAVG: 300200 9.92624 -13.1916 3.11745 -13.1916 11.2872 -22.5833 3.11749 -22.5834 -0.897217 GPRESSAVG: 300200 8.12682 -14.7497 2.18022 -12.0395 12.8542 -21.5601 2.31228 -24.2897 -0.188035 TIMING: 300200 CPU: 944.284, 0.00317518/step Wall: 944.284, 0.00317518/step, 4.14519 hours remaining, 236.281250 MB of memory in use. ENERGY: 300200 3933.9334 20482.4311 14604.1779 251.3152 -203522.4317 2663.7788 0.0000 0.0000 52032.5814 -109554.2138 299.0320 -161586.7952 -109186.0404 299.0156 -21.2998 12.0810 760519.5863 6.7721 6.9310 LDB: ============= START OF LOAD BALANCING ============== 956.735 LDB: ============== END OF LOAD BALANCING =============== 956.735 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 956.736 LDB: ============= START OF LOAD BALANCING ============== 957.051 LDB: Largest compute 7076 load 0.036465 is 18.7% of average load 0.195059 LDB: Average compute 0.004390 is 2.3% of average load 0.195059 LDB: TIME 957.055 LOAD: AVG 0.195059 MAX 0.216243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.93 MB LDB: TIME 957.055 LOAD: AVG 0.195059 MAX 0.216243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: TIME 957.055 LOAD: AVG 0.195059 MAX 0.216243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: ============== END OF LOAD BALANCING =============== 957.057 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 957.062 PRESSURE: 300400 142.516 -111.973 82.6945 -111.973 28.4276 127.656 82.6943 127.657 -368.893 GPRESSURE: 300400 130.782 99.3063 85.6326 -91.2466 145.691 123.987 140.766 154.481 -382.812 PRESSAVG: 300400 -32.033 -48.5344 14.8087 -48.5344 -19.0568 -23.3793 14.8087 -23.3793 1.94595 GPRESSAVG: 300400 -31.2157 -47.1394 13.0771 -49.8525 -19.8779 -24.5209 16.5899 -23.4197 1.88185 TIMING: 300400 CPU: 944.926, 0.00321122/step Wall: 944.926, 0.00321122/step, 4.19207 hours remaining, 237.367188 MB of memory in use. ENERGY: 300400 4032.9509 20529.1042 14501.5930 217.5102 -203336.9234 2525.8961 0.0000 0.0000 51974.5692 -109555.2997 298.6986 -161529.8689 -109191.6557 298.9455 -65.9832 -35.4462 759650.7942 -16.3813 -16.4039 PRESSURE: 300600 -46.0968 -208.577 -141.949 -208.576 393.811 5.06821 -141.949 5.06733 -166.612 GPRESSURE: 300600 66.1011 -228.823 -130.068 -157.252 349.244 37.1067 -118.27 -107.681 -136.033 PRESSAVG: 300600 45.7928 -72.7509 12.5162 -72.7508 -41.282 -3.63364 12.5162 -3.6337 20.4456 GPRESSAVG: 300600 45.2223 -74.1889 14.3121 -71.2383 -41.7208 -3.98398 12.2148 -1.93027 21.2326 TIMING: 300600 CPU: 945.559, 0.00316554/step Wall: 945.559, 0.00316554/step, 4.13226 hours remaining, 237.570312 MB of memory in use. ENERGY: 300600 4045.8436 20526.9279 14463.8459 234.4929 -203392.2109 2680.4448 0.0000 0.0000 51795.0691 -109645.5867 297.6670 -161440.6558 -109279.2159 298.8401 60.3672 93.1043 760737.1638 8.3188 8.2447 PRESSURE: 300800 225.609 -184.782 256.965 -184.784 -352.387 -23.4972 256.965 -23.4983 200.101 GPRESSURE: 300800 264.303 -144.154 301.889 -145.499 -289.174 29.3163 212.871 -49.1127 192.099 PRESSAVG: 300800 45.0891 -38.7083 -8.77301 -38.7083 -105.096 11.6868 -8.77305 11.6867 11.1256 GPRESSAVG: 300800 45.8258 -38.9065 -10.2854 -37.967 -104.334 14.369 -8.13684 8.48911 9.97791 TIMING: 300800 CPU: 946.19, 0.00315476/step Wall: 946.19, 0.00315476/step, 4.11801 hours remaining, 237.570312 MB of memory in use. ENERGY: 300800 3958.9869 20369.3244 14489.2860 241.6672 -203289.2131 2484.2099 0.0000 0.0000 52217.4178 -109528.3208 300.0942 -161745.7386 -109166.7741 299.0317 24.4408 55.7428 761771.9349 -16.2937 -16.1768 PRESSURE: 301000 -318.596 82.5891 191.343 82.5889 9.44426 64.7138 191.344 64.7148 -104.858 GPRESSURE: 301000 -228.502 95.5451 162.85 48.1839 -2.77895 28.6508 143.419 179.673 -86.1003 PRESSAVG: 301000 31.4763 -94.0726 -5.3993 -94.0726 -30.5494 29.6307 -5.39931 29.6307 17.7176 GPRESSAVG: 301000 31.4133 -94.557 -4.3168 -95.7633 -31.1107 28.4651 -5.04229 32.1927 18.5591 TIMING: 301000 CPU: 946.819, 0.00314555/step Wall: 946.819, 0.00314555/step, 4.10581 hours remaining, 237.570312 MB of memory in use. ENERGY: 301000 3944.6639 20377.4286 14515.9610 236.1748 -203327.1736 2548.4265 0.0000 0.0000 51922.9442 -109781.5748 298.4019 -161704.5190 -109420.2214 298.9749 -138.0032 -105.7937 761271.8047 6.2148 6.2872 PRESSURE: 301200 -93.2673 73.0649 46.3547 73.0649 -34.1842 -159.093 46.3537 -159.093 222.659 GPRESSURE: 301200 -47.3025 124.797 139.467 35.7854 72.6688 -194.891 -34.9946 -82.9854 163.397 PRESSAVG: 301200 46.4628 -61.3174 -4.96388 -61.3173 -72.7876 -31.2783 -4.96383 -31.2783 -3.70278 GPRESSAVG: 301200 46.3286 -60.7865 -2.86976 -60.3823 -72.934 -32.3369 -6.2708 -30.045 -3.30165 TIMING: 301200 CPU: 947.445, 0.00312934/step Wall: 947.445, 0.00312934/step, 4.08448 hours remaining, 237.570312 MB of memory in use. ENERGY: 301200 3916.8654 20554.8677 14459.4578 240.4789 -203537.7064 2555.4854 0.0000 0.0000 51918.5244 -109892.0267 298.3765 -161810.5511 -109536.5908 298.7489 31.7360 62.9210 759357.4302 -10.0092 -9.9690 PRESSURE: 301400 173.15 51.9092 119.145 51.9075 -395.404 -313.329 119.145 -313.329 411.414 GPRESSURE: 301400 189.203 -11.5484 102.09 24.6225 -388.675 -312.162 102.267 -252.886 454.275 PRESSAVG: 301400 -28.2299 18.614 -46.0821 18.614 -0.0863123 -12.5184 -46.0821 -12.5183 -10.9606 GPRESSAVG: 301400 -28.1548 19.8691 -48.3633 17.6691 -1.38421 -12.0233 -45.2604 -14.3326 -9.93332 TIMING: 301400 CPU: 948.066, 0.00310779/step Wall: 948.066, 0.00310779/step, 4.05618 hours remaining, 237.570312 MB of memory in use. ENERGY: 301400 3987.3857 20485.4502 14557.9830 233.1133 -203329.3510 2356.8172 0.0000 0.0000 51971.1685 -109737.4330 298.6790 -161708.6015 -109382.9364 298.8368 63.0532 84.9343 760901.9036 -13.0923 -13.1575 PRESSURE: 301600 -29.9805 93.3458 266.529 93.3454 -68.827 -145.6 266.53 -145.599 77.6248 GPRESSURE: 301600 -64.4583 108.241 225.757 6.40069 22.0517 -175.769 256.499 -138.413 107.894 PRESSAVG: 301600 33.7865 -59.5428 -39.3461 -59.5428 -11.1222 -15.1163 -39.3461 -15.1163 9.25205 GPRESSAVG: 301600 33.5123 -60.0073 -38.7152 -61.1886 -10.8457 -14.255 -40.0387 -16.6433 9.15702 TIMING: 301600 CPU: 948.692, 0.0031292/step Wall: 948.692, 0.0031292/step, 4.08395 hours remaining, 237.570312 MB of memory in use. ENERGY: 301600 3973.0402 20562.3474 14465.3850 254.7008 -203315.9309 2422.7396 0.0000 0.0000 51883.5416 -109754.1765 298.1754 -161637.7180 -109393.8548 298.8636 -7.0609 21.8290 762139.6486 10.6388 10.6079 PRESSURE: 301800 251.38 -166.246 16.4895 -166.245 -365.392 60.4662 16.49 60.4662 168.144 GPRESSURE: 301800 223.299 -174.891 63.9689 -192.203 -309.597 -4.75024 -1.49619 -1.54842 237.808 PRESSAVG: 301800 8.74345 -54.8665 6.20995 -54.8664 -35.9644 -50.3188 6.21002 -50.3188 3.10498 GPRESSAVG: 301800 8.52483 -52.6212 5.47241 -53.5542 -34.9147 -50.9264 6.86965 -47.7933 3.10065 TIMING: 301800 CPU: 949.317, 0.00312441/step Wall: 949.317, 0.00312441/step, 4.07753 hours remaining, 237.570312 MB of memory in use. ENERGY: 301800 3985.9028 20495.8269 14528.4267 239.6637 -203832.3417 2723.1473 0.0000 0.0000 52257.8025 -109601.5717 300.3263 -161859.3742 -109235.6732 298.8843 18.0440 50.5031 760762.9368 -8.0387 -7.7631 PRESSURE: 302000 239.584 -85.2127 -49.5315 -85.2126 531.007 170.662 -49.5317 170.66 255.772 GPRESSURE: 302000 308.912 -197.7 -57.7912 -183.745 518.611 131.062 -13.5428 71.758 288.252 PRESSAVG: 302000 87.6106 -44.9345 -50.426 -44.9346 -91.8348 22.1373 -50.426 22.1373 4.06319 GPRESSAVG: 302000 88.5238 -47.7737 -50.2204 -44.0425 -91.2701 22.5366 -51.7186 20.6106 2.6527 TIMING: 302000 CPU: 949.943, 0.0031285/step Wall: 949.943, 0.0031285/step, 4.08269 hours remaining, 237.570312 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: 302000 3952.1304 20546.5746 14471.0404 258.3544 -203547.1357 2822.7289 0.0000 0.0000 51964.0556 -109532.2515 298.6381 -161496.3071 -109161.1644 299.1081 342.1211 371.9248 759690.5497 -0.0537 -0.0312 PRESSURE: 302200 -14.4116 -19.1073 -27.4719 -19.107 -439.78 217.789 -27.4721 217.789 261.843 GPRESSURE: 302200 -37.5888 24.2736 -82.5833 -79.3296 -357.258 245.159 -31.7203 219.716 309.32 PRESSAVG: 302200 36.4703 -48.9778 14.0183 -48.9778 -28.8372 12.6559 14.0183 12.656 2.37117 GPRESSAVG: 302200 36.922 -49.0427 15.5065 -49.266 -29.7936 12.0708 13.0478 10.909 2.00359 TIMING: 302200 CPU: 950.569, 0.00313023/step Wall: 950.569, 0.00313023/step, 4.08478 hours remaining, 237.570312 MB of memory in use. ENERGY: 302200 4007.0285 20504.6841 14529.0327 248.0819 -203441.6914 2698.4232 0.0000 0.0000 51975.6280 -109478.8130 298.7046 -161454.4410 -109128.7095 299.1183 -64.1161 -28.5090 759844.5509 3.3348 3.0440 PRESSURE: 302400 -198.453 -116.904 -104.821 -116.903 -258.546 -52.5609 -104.82 -52.5613 -292.361 GPRESSURE: 302400 -159.585 -124.581 -267.904 -106.355 -172.033 -68.8318 21.6661 85.7809 -334.744 PRESSAVG: 302400 34.1405 -52.2006 -9.87788 -52.2006 9.5321 -29.8999 -9.87792 -29.9 20.3452 GPRESSAVG: 302400 33.1052 -50.3494 -11.1401 -53.6585 10.9806 -30.4599 -9.41903 -29.1472 19.7312 TIMING: 302400 CPU: 951.199, 0.00314941/step Wall: 951.199, 0.00314941/step, 4.10962 hours remaining, 237.570312 MB of memory in use. ENERGY: 302400 4023.0147 20622.7875 14539.8022 245.8259 -202707.2099 1997.4254 0.0000 0.0000 51858.8382 -109419.5162 298.0335 -161278.3544 -109066.4966 299.4484 -249.7867 -222.1207 760529.6801 21.3393 21.2723 PRESSURE: 302600 -81.419 -22.8091 -225.011 -22.8097 38.7589 102.431 -225.011 102.431 -150.114 GPRESSURE: 302600 -3.77757 98.1535 -184.693 84.7933 -21.8361 190.82 -96.9501 29.5279 -89.5793 PRESSAVG: 302600 3.70645 -43.837 -33.1955 -43.8371 30.5349 7.70298 -33.1955 7.70299 -4.06799 GPRESSAVG: 302600 5.52272 -45.252 -32.1448 -43.1306 27.8746 9.26265 -31.7054 8.5765 -2.86949 TIMING: 302600 CPU: 951.832, 0.00316498/step Wall: 951.832, 0.00316498/step, 4.12977 hours remaining, 237.570312 MB of memory in use. ENERGY: 302600 3991.8253 20480.0340 14510.3792 288.6793 -203373.1433 2537.5895 0.0000 0.0000 51970.7268 -109593.9092 298.6765 -161564.6360 -109230.0366 298.8529 -64.2581 -38.3977 759307.1712 10.0578 10.1759 PRESSURE: 302800 -19.4893 -202.364 15.8066 -202.364 8.09604 189.147 15.8062 189.146 111.215 GPRESSURE: 302800 32.229 -173.903 -31.7007 -131.953 98.8625 97.2821 70.9589 65.5883 80.352 PRESSAVG: 302800 -12.3893 -61.7103 -8.96196 -61.7103 19.4146 29.0231 -8.96192 29.0231 2.06948 GPRESSAVG: 302800 -14.4887 -62.1623 -10.1264 -59.5252 22.0668 25.857 -10.6105 27.626 1.52913 TIMING: 302800 CPU: 952.463, 0.00315534/step Wall: 952.463, 0.00315534/step, 4.11701 hours remaining, 237.570312 MB of memory in use. ENERGY: 302800 3973.9963 20538.4169 14546.3403 247.8450 -203008.0641 2409.0430 0.0000 0.0000 51714.9663 -109577.4563 297.2066 -161292.4226 -109217.0760 298.9270 33.2740 70.4812 760645.3331 3.0316 3.0358 PRESSURE: 303000 -471.222 -21.22 -36.9395 -21.2204 -176.107 79.5602 -36.9403 79.5607 -40.6781 GPRESSURE: 303000 -380.29 -102.025 -60.8661 25.8863 -143.436 14.5424 31.9351 116.68 -61.4858 PRESSAVG: 303000 5.11082 24.9742 -15.2293 24.9742 -0.315102 10.2174 -15.2293 10.2174 -2.69626 GPRESSAVG: 303000 6.25772 24.7585 -14.3097 23.377 -1.49739 11.8138 -14.1124 11.0086 -3.01095 TIMING: 303000 CPU: 953.09, 0.00313774/step Wall: 953.09, 0.00313774/step, 4.09388 hours remaining, 237.570312 MB of memory in use. ENERGY: 303000 4012.6271 20406.1633 14548.2843 261.1473 -203201.3988 2415.1154 0.0000 0.0000 51791.6161 -109766.4453 297.6471 -161558.0614 -109409.6525 298.1503 -229.3358 -195.0706 760573.9842 0.6998 0.5831 PRESSURE: 303200 -264.24 152.178 37.1624 152.179 14.5035 -322.283 37.1626 -322.282 16.564 GPRESSURE: 303200 -185.879 197.871 -7.86773 220.131 43.0222 -364.543 57.0128 -236.33 0.918937 PRESSAVG: 303200 34.6729 -5.10386 -52.7495 -5.10386 -17.0102 7.22991 -52.7495 7.22992 15.8636 GPRESSAVG: 303200 34.6612 -4.17895 -54.9344 -5.04058 -15.8666 7.10547 -50.3884 5.98107 15.0851 TIMING: 303200 CPU: 953.718, 0.00313805/step Wall: 953.718, 0.00313805/step, 4.09411 hours remaining, 237.570312 MB of memory in use. ENERGY: 303200 3964.2352 20495.9671 14581.3659 252.8677 -203472.9958 2299.4736 0.0000 0.0000 52020.4814 -109858.6050 298.9624 -161879.0864 -109499.3772 298.4451 -77.7242 -47.3125 760314.5207 11.1754 11.2933 PRESSURE: 303400 103.467 -177.023 188.279 -177.023 -27.9184 94.9984 188.279 94.9986 35.6533 GPRESSURE: 303400 68.1688 -107.264 176.264 -111.824 -15.8552 66.1482 106.316 244.138 127.291 PRESSAVG: 303400 -5.9736 -14.886 -0.508954 -14.8861 12.1679 -14.169 -0.508947 -14.1691 20.1731 GPRESSAVG: 303400 -5.64429 -15.2382 0.446742 -13.5005 11.3715 -11.8757 -0.589229 -13.7423 20.6165 TIMING: 303400 CPU: 954.347, 0.00314683/step Wall: 954.347, 0.00314683/step, 4.10539 hours remaining, 237.570312 MB of memory in use. ENERGY: 303400 3910.9737 20532.3732 14574.7376 245.1104 -203687.4371 2650.9939 0.0000 0.0000 51738.2615 -110034.9868 297.3405 -161773.2483 -109689.2918 297.8765 37.0673 59.8682 760058.1916 8.7891 8.7812 PRESSURE: 303600 -17.3229 -23.2378 -13.2433 -23.2371 77.2076 -52.8169 -13.2433 -52.817 250.264 GPRESSURE: 303600 66.1902 56.3082 -19.0717 -124.475 106.106 -41.8013 -176.439 -65.4558 238.238 PRESSAVG: 303600 16.3278 -77.9205 10.9322 -77.9205 -20.447 -29.2762 10.9323 -29.2761 4.9925 GPRESSAVG: 303600 15.4686 -75.5957 12.1165 -81.6369 -20.1801 -31.6755 7.96995 -28.9975 5.70131 TIMING: 303600 CPU: 954.976, 0.00314172/step Wall: 954.976, 0.00314172/step, 4.09855 hours remaining, 237.570312 MB of memory in use. ENERGY: 303600 3983.8872 20526.1182 14512.1137 231.5545 -203439.0012 2590.7456 0.0000 0.0000 51935.2504 -109659.3316 298.4726 -161594.5820 -109301.7332 298.1940 103.3828 136.8447 760964.5988 0.2911 0.3299 PRESSURE: 303800 -241.559 37.2659 -70.4589 37.2659 -82.2136 -307.587 -70.4595 -307.588 -318.546 GPRESSURE: 303800 -152.034 95.2111 -85.5691 133.64 -77.656 -381.152 36.4315 -96.86 -317.21 PRESSAVG: 303800 -13.6718 -34.7358 4.7923 -34.7358 29.4046 -22.6421 4.79228 -22.6421 -6.2769 GPRESSAVG: 303800 -13.3835 -35.9609 4.90238 -31.8787 29.8342 -21.1432 6.33203 -21.0745 -6.65882 TIMING: 303800 CPU: 955.606, 0.00314955/step Wall: 955.606, 0.00314955/step, 4.10858 hours remaining, 237.570312 MB of memory in use. ENERGY: 303800 3933.6098 20409.2979 14499.6053 240.3276 -203104.3613 2444.4066 0.0000 0.0000 51962.8794 -109614.2346 298.6314 -161577.1140 -109257.4534 298.5251 -214.1064 -182.2999 762183.9115 3.1520 3.2639 PRESSURE: 304000 145.917 91.0356 -185.167 91.0359 227.653 -291.109 -185.167 -291.109 26.0715 GPRESSURE: 304000 275.047 60.6241 -235.601 51.1481 221.037 -324.786 -226.757 -246.529 -17.2907 PRESSAVG: 304000 -4.73518 -41.0042 -21.1752 -41.0042 -33.0286 -12.9897 -21.1752 -12.9897 -13.6533 GPRESSAVG: 304000 -3.8747 -40.9105 -20.4027 -43.1752 -33.8176 -14.1405 -21.857 -11.8677 -13.8523 TIMING: 304000 CPU: 956.232, 0.00313144/step Wall: 956.232, 0.00313144/step, 4.08479 hours remaining, 237.570312 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: 304000 3931.3097 20526.6937 14500.5278 258.3793 -203070.5535 2520.4685 0.0000 0.0000 52045.1461 -109288.0284 299.1042 -161333.1745 -108917.6909 298.9061 133.2137 159.5979 760785.9914 -17.1390 -17.1815 PRESSURE: 304200 51.1163 -78.3976 -14.6766 -78.398 -258.705 -158.34 -14.6762 -158.34 -247.19 GPRESSURE: 304200 87.5674 -19.1672 34.446 -18.9963 -194.298 -139.231 -79.1343 -138.348 -251.982 PRESSAVG: 304200 30.6988 -65.2544 -0.144261 -65.2545 27.9387 17.7002 -0.144267 17.7003 1.35055 GPRESSAVG: 304200 30.2459 -64.5823 -0.82852 -64.2814 28.1987 18.8282 0.531769 16.4515 1.53423 TIMING: 304200 CPU: 956.859, 0.00313685/step Wall: 956.859, 0.00313685/step, 4.09167 hours remaining, 237.570312 MB of memory in use. ENERGY: 304200 4049.1591 20402.7863 14486.0280 263.5362 -203277.2934 2714.9186 0.0000 0.0000 52018.9187 -109341.9465 298.9534 -161360.8652 -108982.3005 299.3105 -151.5930 -119.5709 762461.0393 19.9960 19.9929 LDB: ============= START OF LOAD BALANCING ============== 969.31 LDB: ============== END OF LOAD BALANCING =============== 969.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 969.311 LDB: ============= START OF LOAD BALANCING ============== 969.625 LDB: Largest compute 7026 load 0.034110 is 17.5% of average load 0.194864 LDB: Average compute 0.004368 is 2.2% of average load 0.194864 LDB: TIME 969.629 LOAD: AVG 0.194864 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.281 MB LDB: TIME 969.63 LOAD: AVG 0.194864 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: TIME 969.63 LOAD: AVG 0.194864 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: ============== END OF LOAD BALANCING =============== 969.632 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 969.637 PRESSURE: 304400 -4.33395 -83.9203 -5.57521 -83.9203 170.335 36.81 -5.5749 36.8098 -132.637 GPRESSURE: 304400 58.0663 -122.67 8.70451 -95.1136 152.036 -4.78035 4.53543 107.252 -96.1619 PRESSAVG: 304400 -65.1238 -20.241 10.2159 -20.241 78.1009 2.3557 10.2159 2.3557 10.4002 GPRESSAVG: 304400 -64.897 -22.6964 10.0047 -18.3878 76.9377 0.849785 9.74359 3.62607 11.3532 TIMING: 304400 CPU: 957.501, 0.00320798/step Wall: 957.501, 0.00320798/step, 4.18427 hours remaining, 235.621094 MB of memory in use. ENERGY: 304400 3981.8058 20469.7190 14527.3515 250.8021 -202643.4968 2309.7860 0.0000 0.0000 51947.7548 -109156.2777 298.5445 -161104.0324 -108801.6198 299.4924 11.1211 37.9803 762241.1793 7.7924 7.7980 PRESSURE: 304600 83.7963 114.305 -52.8794 114.305 -331.343 -146.763 -52.8795 -146.764 -114.528 GPRESSURE: 304600 170.44 172.087 26.5416 21.72 -278.307 -87.5455 -112.929 -226.876 -146.578 PRESSAVG: 304600 -14.6741 -13.5427 29.5695 -13.5426 32.9534 18.9437 29.5694 18.9437 -47.4351 GPRESSAVG: 304600 -14.2934 -10.6316 28.5743 -15.133 33.6503 20.2168 29.6164 14.3981 -48.5507 TIMING: 304600 CPU: 958.131, 0.00314978/step Wall: 958.131, 0.00314978/step, 4.10819 hours remaining, 235.691406 MB of memory in use. ENERGY: 304600 3956.3047 20560.8799 14545.3834 245.8125 -202894.2911 2459.3739 0.0000 0.0000 52262.9632 -108863.5735 300.3560 -161126.5367 -108491.4397 300.0431 -120.6915 -84.8148 762484.0009 -9.7186 -9.7313 PRESSURE: 304800 -320.125 -70.5826 -270.444 -70.5832 -205.755 -1.65973 -270.445 -1.65962 11.5566 GPRESSURE: 304800 -285.463 -20.6614 -231.199 15.7274 -122.942 -4.33672 -236.527 -79.4351 -0.0164147 PRESSAVG: 304800 -6.81556 -50.3566 -8.57105 -50.3567 -2.66434 -9.64505 -8.57113 -9.64503 33.0689 GPRESSAVG: 304800 -7.36744 -51.1762 -8.88848 -50.7311 -1.52389 -10.2798 -8.34378 -6.52382 32.1567 TIMING: 304800 CPU: 958.761, 0.00315139/step Wall: 958.761, 0.00315139/step, 4.11011 hours remaining, 235.691406 MB of memory in use. ENERGY: 304800 4066.5135 20458.1667 14541.0786 251.5302 -202834.0371 2259.4712 0.0000 0.0000 52354.3764 -108902.9005 300.8813 -161257.2769 -108529.7992 300.3429 -171.4409 -136.1406 763228.2520 7.8630 7.7551 PRESSURE: 305000 -89.8047 -35.3542 187.672 -35.3536 171.022 109.476 187.672 109.475 -49.4907 GPRESSURE: 305000 36.2656 52.6626 138.488 14.5779 134.057 79.8801 275.896 106.979 -40.9203 PRESSAVG: 305000 -27.2658 -66.0553 14.9837 -66.0554 20.0354 12.1706 14.9837 12.1707 5.07074 GPRESSAVG: 305000 -26.6479 -66.6582 16.9769 -63.8595 18.5628 11.0577 15.4212 10.4938 5.91881 TIMING: 305000 CPU: 959.389, 0.00313829/step Wall: 959.389, 0.00313829/step, 4.09285 hours remaining, 235.691406 MB of memory in use. ENERGY: 305000 4067.6339 20369.9659 14562.4820 237.0661 -203439.0381 2729.4782 0.0000 0.0000 52437.1540 -109035.2581 301.3570 -161472.4121 -108660.7705 300.0674 10.5755 43.1341 760668.7523 -0.7199 -0.7221 PRESSURE: 305200 -126.983 -29.6011 7.82934 -29.6008 15.8177 -64.0569 7.83015 -64.0578 -300.366 GPRESSURE: 305200 4.03002 -110.075 -7.85305 32.5966 -1.55609 -28.7747 165.919 19.8847 -332.602 PRESSAVG: 305200 -5.80086 -1.22678 43.9524 -1.22677 20.363 6.32246 43.9524 6.32242 17.7929 GPRESSAVG: 305200 -7.20176 -0.413475 42.7898 -3.67495 21.3665 6.92214 44.4216 8.4731 17.8475 TIMING: 305200 CPU: 960.016, 0.00313522/step Wall: 960.016, 0.00313522/step, 4.08867 hours remaining, 235.691406 MB of memory in use. ENERGY: 305200 4073.8475 20593.6292 14464.0578 240.4980 -203151.9417 2379.8176 0.0000 0.0000 52345.6544 -109054.4373 300.8312 -161400.0916 -108699.1167 300.4669 -137.1769 -110.0428 761106.1021 10.7850 10.6708 PRESSURE: 305400 -357.622 -33.6213 172.655 -33.621 -21.4954 76.5075 172.655 76.5083 431.989 GPRESSURE: 305400 -245.685 -68.8699 199.282 -61.8504 66.2623 50.7538 31.52 46.2643 314.767 PRESSAVG: 305400 -40.0154 -27.9881 50.6216 -27.9882 18.4395 12.6111 50.6217 12.6112 -1.08685 GPRESSAVG: 305400 -38.2741 -28.2403 50.7188 -27.8635 18.1005 11.3695 49.7232 11.7038 -3.44652 TIMING: 305400 CPU: 960.642, 0.00313295/step Wall: 960.642, 0.00313295/step, 4.08554 hours remaining, 235.691406 MB of memory in use. ENERGY: 305400 3966.7595 20561.4706 14508.0560 260.0759 -203201.0350 2845.1188 0.0000 0.0000 52011.0033 -109048.5509 298.9080 -161059.5542 -108684.5428 300.1691 17.6237 45.1147 763592.9664 -7.5542 -7.8734 PRESSURE: 305600 -383.909 -181.794 -102.635 -181.794 -313.515 -133.698 -102.635 -133.699 29.1812 GPRESSURE: 305600 -297.626 -143.487 -47.0979 3.41136 -216.675 -201.164 -82.1364 17.6325 -59.4557 PRESSAVG: 305600 30.5219 -77.0098 32.9003 -77.0098 -38.321 -10.3389 32.9002 -10.3389 13.4298 GPRESSAVG: 305600 29.4565 -76.5673 32.9152 -76.088 -39.1779 -8.64383 31.4294 -9.98873 15.4526 TIMING: 305600 CPU: 961.271, 0.00314303/step Wall: 961.271, 0.00314303/step, 4.09851 hours remaining, 235.691406 MB of memory in use. ENERGY: 305600 3936.5874 20422.5000 14528.5102 234.1313 -202874.7730 2243.0305 0.0000 0.0000 52283.7969 -109226.2167 300.4757 -161510.0136 -108845.8407 299.6374 -222.7477 -191.2522 763293.3580 1.8769 1.9104 PRESSURE: 305800 111.146 -43.1568 -14.7334 -43.1571 -32.7147 -144.649 -14.7333 -144.649 481.097 GPRESSURE: 305800 119.031 -15.5435 15.1713 -15.1605 -9.36833 -86.5255 38.0577 -175.468 538.206 PRESSAVG: 305800 26.4987 -43.7058 -57.8403 -43.7057 -8.47936 -50.8687 -57.8403 -50.8687 11.2707 GPRESSAVG: 305800 26.6209 -44.5884 -59.0337 -43.2713 -8.1541 -50.5681 -55.2936 -50.4453 11.1465 TIMING: 305800 CPU: 961.901, 0.00314795/step Wall: 961.901, 0.00314795/step, 4.10475 hours remaining, 235.691406 MB of memory in use. ENERGY: 305800 3990.1491 20427.6764 14475.3043 254.1339 -203144.8337 2719.0533 0.0000 0.0000 52125.0104 -109153.5062 299.5632 -161278.5166 -108783.5782 299.6054 186.5093 215.9562 761618.6458 9.7634 9.8711 PRESSURE: 306000 162.937 -46.6477 143.647 -46.6481 109.974 77.5772 143.647 77.5773 119.955 GPRESSURE: 306000 192.884 -90.2689 193.118 -0.631569 184.26 90.6561 -3.48039 89.8217 92.1306 PRESSAVG: 306000 -1.2273 -9.81271 -6.10305 -9.81267 -54.8141 -25.3949 -6.10304 -25.395 -15.2269 GPRESSAVG: 306000 -0.931626 -10.0064 -5.51491 -10.8061 -54.1189 -24.426 -6.75265 -26.6453 -15.7848 TIMING: 306000 CPU: 962.53, 0.00314795/step Wall: 962.53, 0.00314795/step, 4.10458 hours remaining, 235.691406 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: 306000 4041.1069 20419.4688 14554.1463 235.9919 -203214.8831 2667.8447 0.0000 0.0000 52125.8581 -109170.4664 299.5680 -161296.3245 -108799.3284 299.7677 130.9557 156.4246 762165.3569 -23.7561 -23.6118 PRESSURE: 306200 -22.014 67.6199 1.03055 67.6188 -217.732 -9.89684 1.03108 -9.89713 133.105 GPRESSURE: 306200 6.52264 26.5827 35.0017 21.0194 -210.475 49.5585 54.4809 -39.4645 152.926 PRESSAVG: 306200 26.6182 -15.9271 -28.8057 -15.9271 3.52497 -0.128204 -28.8056 -0.128219 -1.38494 GPRESSAVG: 306200 25.0824 -16.7501 -31.06 -15.555 3.08197 -1.92435 -29.9171 0.740916 0.470881 TIMING: 306200 CPU: 963.158, 0.00313741/step Wall: 963.158, 0.00313741/step, 4.09066 hours remaining, 235.691406 MB of memory in use. ENERGY: 306200 4049.3239 20418.7788 14570.1788 240.2470 -203163.5795 2299.8014 0.0000 0.0000 52225.7628 -109359.4869 300.1422 -161585.2497 -108995.5380 299.7765 -35.5469 -17.0086 761738.2277 9.5861 9.5451 PRESSURE: 306400 -70.1122 -84.5164 -103.465 -84.5172 -321.552 -187.211 -103.465 -187.213 453.221 GPRESSURE: 306400 -112.002 39.3217 -2.0058 -137.139 -212.627 -268.362 -182.53 -49.5528 436.563 PRESSAVG: 306400 -12.4534 -12.1555 -18.495 -12.1556 -30.6279 -19.2217 -18.4949 -19.2217 -3.81921 GPRESSAVG: 306400 -11.7199 -10.1897 -17.6169 -14.2574 -30.1551 -21.0964 -18.3405 -19.7529 -4.9507 TIMING: 306400 CPU: 963.785, 0.00313422/step Wall: 963.785, 0.00313422/step, 4.08633 hours remaining, 235.691406 MB of memory in use. ENERGY: 306400 3924.5936 20499.8696 14511.8935 258.4702 -203076.1616 2460.2450 0.0000 0.0000 51971.3391 -109449.7508 298.6800 -161421.0899 -109086.7218 299.6761 20.5189 37.3112 761108.3904 -15.6335 -15.6086 PRESSURE: 306600 -421.462 0.421371 63.3646 0.420768 -466.55 -77.9677 63.3649 -77.9681 -16.2601 GPRESSURE: 306600 -392.203 -44.7462 55.5795 10.1501 -432.952 -38.5189 14.4848 -130.336 21.0713 PRESSAVG: 306600 42.4615 -20.9602 27.1011 -20.9602 30.6738 -2.97031 27.1011 -2.97031 4.00377 GPRESSAVG: 306600 43.6675 -21.4459 28.7322 -20.2697 29.8614 -0.163781 27.304 -2.62502 3.69845 TIMING: 306600 CPU: 964.413, 0.00314465/step Wall: 964.413, 0.00314465/step, 4.09976 hours remaining, 235.691406 MB of memory in use. ENERGY: 306600 4008.5947 20387.5353 14437.5188 256.0336 -203052.9909 2236.3068 0.0000 0.0000 52445.1126 -109281.8891 301.4028 -161727.0017 -108922.6076 299.5585 -301.4240 -268.0280 762359.9222 25.7130 25.7425 PRESSURE: 306800 -142.976 -9.64795 331.787 -9.64804 -105.17 -10.6518 331.788 -10.6518 132.998 GPRESSURE: 306800 -133.73 11.7293 320.601 -12.2178 6.36644 -17.0114 392.142 -22.425 131.197 PRESSAVG: 306800 -18.847 -47.8473 40.6683 -47.8473 -9.80808 -54.0101 40.6683 -54.0101 -15.889 GPRESSAVG: 306800 -19.2015 -49.9751 39.8714 -46.5969 -9.93003 -53.9567 42.5022 -54.4925 -14.6871 TIMING: 306800 CPU: 965.041, 0.00313762/step Wall: 965.041, 0.00313762/step, 4.09041 hours remaining, 235.691406 MB of memory in use. ENERGY: 306800 3990.9030 20493.7817 14450.2667 255.4293 -203209.3261 2525.0965 0.0000 0.0000 51989.5513 -109504.2975 298.7847 -161493.8488 -109134.8477 299.2475 -38.3826 1.2781 760757.1010 -14.8480 -14.6062 PRESSURE: 307000 74.8643 -55.7601 -55.9303 -55.7605 -16.1002 82.7292 -55.9298 82.7295 428.734 GPRESSURE: 307000 145.793 -37.3562 39.6475 74.685 20.8378 87.0089 -136.971 37.9141 409.468 PRESSAVG: 307000 -8.27818 -69.1279 33.503 -69.1279 2.855 -37.3193 33.503 -37.3192 13.4997 GPRESSAVG: 307000 -8.3011 -67.2655 33.6396 -68.9374 4.00634 -36.9562 31.9691 -36.7822 12.3038 TIMING: 307000 CPU: 965.67, 0.00314479/step Wall: 965.67, 0.00314479/step, 4.09958 hours remaining, 235.691406 MB of memory in use. ENERGY: 307000 3975.0794 20555.7239 14477.1037 267.9605 -203397.0577 2584.0223 0.0000 0.0000 52312.3403 -109224.8277 300.6397 -161537.1680 -108871.8652 299.6222 162.4992 192.0329 759935.7523 2.6922 2.6697 PRESSURE: 307200 -77.5891 -109.034 125.047 -109.035 408.03 107.538 125.047 107.538 -127.727 GPRESSURE: 307200 -112.439 -3.6927 159.14 -103.802 498.377 77.4582 117.097 27.8607 -89.2521 PRESSAVG: 307200 -4.27319 -31.1936 -2.55371 -31.1936 6.66546 -5.80218 -2.55364 -5.80218 3.85795 GPRESSAVG: 307200 -4.7979 -31.0078 -2.25981 -30.2714 6.28935 -6.16609 -2.79163 -8.03966 4.76916 TIMING: 307200 CPU: 966.298, 0.00313985/step Wall: 966.298, 0.00313985/step, 4.09297 hours remaining, 235.691406 MB of memory in use. ENERGY: 307200 4016.9772 20606.3222 14483.5479 246.2714 -202924.4127 2225.1052 0.0000 0.0000 52368.6020 -108977.5868 300.9631 -161346.1888 -108621.4395 300.3553 67.5712 98.8952 759479.2688 2.0834 2.0869 PRESSURE: 307400 -199.031 47.8446 -186.674 47.8446 -36.5268 -139.21 -186.674 -139.209 425.082 GPRESSURE: 307400 -86.9865 1.48712 -118.077 75.4361 -81.2743 -2.56427 -108.571 -93.0429 462.546 PRESSAVG: 307400 23.0548 -27.1476 13.0842 -27.1476 24.443 47.223 13.0842 47.2231 -20.1961 GPRESSAVG: 307400 22.743 -26.4727 13.5208 -29.1674 23.5519 47.5889 14.0561 48.3171 -19.4006 TIMING: 307400 CPU: 966.927, 0.00314519/step Wall: 966.927, 0.00314519/step, 4.09975 hours remaining, 235.691406 MB of memory in use. ENERGY: 307400 3977.8486 20573.2320 14526.7371 235.4385 -203128.7465 2550.1679 0.0000 0.0000 52333.8818 -108931.4406 300.7635 -161265.3224 -108565.6509 300.8805 63.1747 98.0950 759750.0332 9.1006 8.9648 PRESSURE: 307600 -102.306 -145.702 74.4909 -145.702 218.824 11.3664 74.4908 11.3654 476.375 GPRESSURE: 307600 0.951418 -157.286 119.998 -36.7089 216.101 53.3215 46.8838 85.3362 459.927 PRESSAVG: 307600 -26.1858 -32.9067 39.6264 -32.9068 30.2943 3.416 39.6263 3.41599 3.426 GPRESSAVG: 307600 -25.5235 -34.1543 39.7189 -31.6474 30.9295 3.38723 38.3424 4.68313 2.14795 TIMING: 307600 CPU: 967.553, 0.0031288/step Wall: 967.553, 0.0031288/step, 4.07821 hours remaining, 235.691406 MB of memory in use. ENERGY: 307600 3960.7767 20553.6472 14557.4425 257.2835 -203205.0934 2589.3575 0.0000 0.0000 52149.8544 -109136.7315 299.7059 -161286.5859 -108785.2487 300.4594 197.6309 225.6598 759457.5695 2.5115 2.5180 PRESSURE: 307800 225.48 12.8142 -11.1609 12.815 128.171 -166.108 -11.1602 -166.107 107.946 GPRESSURE: 307800 238.391 125.78 -68.5402 59.9927 169.873 -260.854 -17.6552 -168.504 146.837 PRESSAVG: 307800 -32.5763 -12.598 -10.1862 -12.598 20.4491 -22.1569 -10.1861 -22.1568 5.11404 GPRESSAVG: 307800 -31.9304 -12.3471 -11.0612 -13.578 18.727 -23.6201 -10.5404 -21.4698 6.74877 TIMING: 307800 CPU: 968.182, 0.0031444/step Wall: 968.182, 0.0031444/step, 4.09838 hours remaining, 235.691406 MB of memory in use. ENERGY: 307800 3976.3906 20677.9729 14412.7757 249.6727 -203165.8638 2554.9760 0.0000 0.0000 52219.3647 -109074.7110 300.1054 -161294.0758 -108715.8526 300.6880 153.8655 185.0336 760027.5049 -2.3377 -2.1516 PRESSURE: 308000 -6.58811 24.4614 -15.6587 24.4613 -160.243 140.542 -15.6594 140.544 -354.691 GPRESSURE: 308000 -8.63158 55.5322 -61.2774 -76.496 -36.7885 179.303 58.978 -37.2792 -382.121 PRESSAVG: 308000 -52.8032 -47.5103 29.2219 -47.5103 75.6 -52.4073 29.2219 -52.4073 -17.9232 GPRESSAVG: 308000 -53.6948 -48.0043 29.5485 -48.1319 77.4915 -53.3673 29.7278 -53.5333 -18.9389 TIMING: 308000 CPU: 968.812, 0.00315158/step Wall: 968.812, 0.00315158/step, 4.10756 hours remaining, 235.691406 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: 308000 4054.3208 20539.8924 14549.9851 230.3143 -203116.2044 2630.0047 0.0000 0.0000 52098.1630 -109013.5241 299.4089 -161111.6871 -108641.9069 300.5591 -173.8406 -142.5136 761897.8070 1.6245 1.6193 PRESSURE: 308200 -394.677 -137.198 -257.494 -137.197 -133.149 246.66 -257.494 246.66 -185.246 GPRESSURE: 308200 -437.49 -152.672 -266.599 -82.9806 -56.9237 275.451 -183.244 181.288 -128.474 PRESSAVG: 308200 -52.5774 -62.9085 -25.1327 -62.9085 47.5524 11.2695 -25.1326 11.2695 -13.8561 GPRESSAVG: 308200 -53.2496 -62.6223 -25.5224 -62.3843 47.8899 13.3379 -26.6074 11.281 -13.4376 TIMING: 308200 CPU: 969.441, 0.00314487/step Wall: 969.441, 0.00314487/step, 4.09865 hours remaining, 235.691406 MB of memory in use. ENERGY: 308200 3992.4625 20755.0321 14423.9983 239.5806 -202996.5950 2432.5343 0.0000 0.0000 51788.6781 -109364.3092 297.6302 -161152.9873 -109004.0269 299.6439 -237.6908 -207.6293 762221.3565 -6.2937 -6.2658 LDB: ============= START OF LOAD BALANCING ============== 981.889 LDB: ============== END OF LOAD BALANCING =============== 981.889 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 981.891 LDB: ============= START OF LOAD BALANCING ============== 982.206 LDB: Largest compute 7060 load 0.033938 is 17.4% of average load 0.194905 LDB: Average compute 0.004367 is 2.2% of average load 0.194905 LDB: TIME 982.21 LOAD: AVG 0.194905 MAX 0.218285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 982.21 LOAD: AVG 0.194905 MAX 0.218285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: TIME 982.21 LOAD: AVG 0.194905 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: ============== END OF LOAD BALANCING =============== 982.212 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 982.217 PRESSURE: 308400 -357.879 67.4064 2.25437 67.4058 -134.935 -189.156 2.25384 -189.156 -493.853 GPRESSURE: 308400 -323.588 47.4506 -110.917 146.324 -109.018 -61.5053 78.9094 -202.327 -473.247 PRESSAVG: 308400 -87.8236 -10.0536 37.5923 -10.0536 86.4374 -47.928 37.5923 -47.9281 -0.601806 GPRESSAVG: 308400 -86.9371 -11.1071 38.0539 -8.37212 85.0061 -47.4823 38.5098 -47.7231 -0.0354843 TIMING: 308400 CPU: 970.081, 0.0032018/step Wall: 970.081, 0.0032018/step, 4.17266 hours remaining, 235.304688 MB of memory in use. ENERGY: 308400 4034.8897 20496.0782 14463.2650 238.0228 -203204.8734 2263.2530 0.0000 0.0000 52170.1008 -109539.2639 299.8223 -161709.3647 -109173.1083 299.3093 -328.8892 -301.9508 761232.7333 -0.6627 -0.6555 PRESSURE: 308600 -78.9341 250.862 -76.756 250.861 -106.195 -159.486 -76.7564 -159.486 -395.706 GPRESSURE: 308600 -48.3042 257.579 -17.0907 202.415 -57.6149 -103.257 -61.433 -141.477 -378.483 PRESSAVG: 308600 -8.09771 15.3195 11.1377 15.3195 44.1152 -35.5427 11.1377 -35.5427 3.25667 GPRESSAVG: 308600 -8.48834 18.3007 11.8893 13.1281 44.9498 -36.303 11.6054 -36.0058 3.31321 TIMING: 308600 CPU: 970.708, 0.00313233/step Wall: 970.708, 0.00313233/step, 4.08195 hours remaining, 235.503906 MB of memory in use. ENERGY: 308600 3968.7271 20399.2924 14508.9431 243.0892 -203216.2241 2464.1585 0.0000 0.0000 52164.8190 -109467.1947 299.7919 -161632.0137 -109106.8911 299.0692 -193.6117 -161.4672 761188.6262 13.0914 13.2582 PRESSURE: 308800 81.03 103.915 -230.901 103.914 -132.936 -144.448 -230.9 -144.448 20.782 GPRESSURE: 308800 190.462 -6.78696 -237.382 139.136 -145.862 -154.05 -111.14 -19.2549 -20.9204 PRESSAVG: 308800 -52.6594 -1.86904 -2.84486 -1.86901 49.0173 -20.9735 -2.84492 -20.9736 -10.2386 GPRESSAVG: 308800 -51.8208 -4.36411 -3.82638 -1.81425 48.7868 -22.2701 -0.891547 -19.5666 -11.1032 TIMING: 308800 CPU: 971.339, 0.00315455/step Wall: 971.339, 0.00315455/step, 4.11072 hours remaining, 235.503906 MB of memory in use. ENERGY: 308800 3979.1108 20548.1544 14490.4393 261.6575 -204020.5971 3013.0821 0.0000 0.0000 52255.6570 -109472.4960 300.3140 -161728.1530 -109119.6012 299.4323 -10.3748 7.8934 759296.6699 -4.6269 -4.7124 PRESSURE: 309000 -177.963 28.245 -196.15 28.2461 -51.9893 85.5048 -196.149 85.5054 378.513 GPRESSURE: 309000 -113.079 101.411 -194.49 69.2177 6.0797 160.009 -104.325 19.851 367.966 PRESSAVG: 309000 -17.184 -28.3719 11.1347 -28.3719 34.1325 33.5638 11.1347 33.5638 7.46036 GPRESSAVG: 309000 -18.6983 -28.2823 10.5114 -28.2208 35.0141 34.6574 10.5283 34.2809 8.46941 TIMING: 309000 CPU: 971.964, 0.00312738/step Wall: 971.964, 0.00312738/step, 4.07515 hours remaining, 235.503906 MB of memory in use. ENERGY: 309000 3973.5877 20512.6157 14535.1477 260.0542 -203362.1798 2559.4581 0.0000 0.0000 52229.1003 -109292.2163 300.1614 -161521.3165 -108939.4283 299.7471 49.5203 86.9891 760124.7219 8.1363 8.2617 PRESSURE: 309200 -420.628 -206.247 -88.8001 -206.246 25.7048 226.985 -88.7998 226.984 -317.398 GPRESSURE: 309200 -382.16 -303.26 -30.0161 -255.764 -3.29151 105.849 -146.22 132.67 -251.142 PRESSAVG: 309200 20.3154 36.9173 45.0543 36.9172 -5.02344 14.4589 45.0544 14.4589 -22.143 GPRESSAVG: 309200 21.8841 38.4014 44.5046 36.8005 -5.72739 11.7134 44.0014 14.2011 -22.9968 TIMING: 309200 CPU: 972.592, 0.00313919/step Wall: 972.592, 0.00313919/step, 4.09037 hours remaining, 235.503906 MB of memory in use. ENERGY: 309200 3944.6882 20610.0433 14561.3214 260.7144 -203111.1257 2259.2614 0.0000 0.0000 52227.4667 -109247.6303 300.1520 -161475.0970 -108881.4866 299.8810 -237.4403 -212.1976 760780.5517 -2.2837 -2.2800 PRESSURE: 309400 -245.212 -167.563 310.534 -167.562 -398.514 -8.33849 310.534 -8.33932 -485.927 GPRESSURE: 309400 -140.632 -10.1703 380.769 -219.86 -455.346 111.74 416.057 -32.3908 -438.081 PRESSAVG: 309400 35.4109 -32.0249 -0.503692 -32.0248 -3.33902 -25.0381 -0.503647 -25.0381 -4.9377 GPRESSAVG: 309400 35.7676 -32.1962 0.241114 -31.2453 -3.20738 -23.8233 -0.385796 -24.446 -5.37508 TIMING: 309400 CPU: 973.22, 0.0031381/step Wall: 973.22, 0.0031381/step, 4.08877 hours remaining, 235.503906 MB of memory in use. ENERGY: 309400 4085.0836 20467.5757 14537.3882 213.8653 -203473.8557 2584.1189 0.0000 0.0000 52143.7075 -109442.1164 299.6706 -161585.8239 -109085.0850 300.0124 -376.5512 -344.6863 761143.6327 9.0447 9.0617 PRESSURE: 309600 116.77 -72.3954 53.567 -72.3956 279.815 56.9307 53.5671 56.9311 -95.5502 GPRESSURE: 309600 212.489 -14.694 -46.9669 11.6191 267.715 124.361 14.5682 -63.2807 -81.4187 PRESSAVG: 309600 -72.4594 -1.70547 45.002 -1.70548 62.7273 34.2285 45.002 34.2285 -8.29958 GPRESSAVG: 309600 -72.8471 -2.35345 46.1728 -0.69007 63.7266 35.5513 45.6913 32.9449 -8.32518 TIMING: 309600 CPU: 973.85, 0.00315279/step Wall: 973.85, 0.00315279/step, 4.10774 hours remaining, 235.503906 MB of memory in use. ENERGY: 309600 4064.1842 20527.3230 14515.7214 233.1836 -203600.0402 2769.7939 0.0000 0.0000 52062.6336 -109427.2005 299.2047 -161489.8341 -109068.3975 299.2454 100.3449 132.9285 761486.9730 -6.0105 -5.8152 PRESSURE: 309800 -106.993 -62.1307 117.846 -62.1296 -156.766 -249.344 117.846 -249.344 230.695 GPRESSURE: 309800 6.38979 -80.5929 138.081 -170.969 -129.748 -241.917 55.0781 -177.744 176.256 PRESSAVG: 309800 21.649 -55.7579 41.5017 -55.7578 27.4152 -11.1487 41.5017 -11.1486 0.216772 GPRESSAVG: 309800 22.006 -56.9459 41.353 -57.2277 27.1166 -10.6164 37.166 -10.3359 0.426959 TIMING: 309800 CPU: 974.482, 0.00316015/step Wall: 974.482, 0.00316015/step, 4.11715 hours remaining, 235.503906 MB of memory in use. ENERGY: 309800 4073.1823 20600.5220 14515.0413 234.7857 -203560.4452 2682.4236 0.0000 0.0000 51953.4327 -109501.0576 298.5771 -161454.4903 -109144.4946 299.5103 -11.0216 17.6328 761174.9299 16.4270 16.5165 PRESSURE: 310000 -212.217 -246.332 -129.003 -246.333 -208.542 -145.934 -129.004 -145.934 -314.813 GPRESSURE: 310000 -223.066 -230.144 -34.2445 -199.285 -29.1657 -142.734 -17.9372 -27.6201 -381.187 PRESSAVG: 310000 -17.3211 -28.1685 33.3551 -28.1685 35.7296 -25.7976 33.3551 -25.7976 -2.41791 GPRESSAVG: 310000 -18.9677 -27.4231 32.5654 -27.3327 36.7629 -26.6587 36.674 -24.5254 -2.11299 TIMING: 310000 CPU: 975.112, 0.00314955/step Wall: 975.112, 0.00314955/step, 4.10317 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: 310000 3983.4316 20524.3056 14515.6767 238.8990 -203273.2685 2407.9156 0.0000 0.0000 52174.9405 -109428.0995 299.8501 -161603.0400 -109070.5164 299.3012 -245.1909 -211.1396 760928.1111 5.3302 5.2274 PRESSURE: 310200 -207.766 31.1246 71.471 31.1247 -224.515 -253.632 71.4708 -253.633 -157.054 GPRESSURE: 310200 -172.801 24.5333 72.8606 97.9681 -193.163 -239.526 66.8205 -219.696 -141.449 PRESSAVG: 310200 43.8774 -71.766 9.43044 -71.766 -77.2491 -33.6982 9.43039 -33.6983 -22.0276 GPRESSAVG: 310200 44.6371 -72.2705 9.35466 -72.0768 -78.8162 -32.7086 6.67256 -37.2312 -20.9277 TIMING: 310200 CPU: 975.74, 0.00313962/step Wall: 975.74, 0.00313962/step, 4.09006 hours remaining, 235.503906 MB of memory in use. ENERGY: 310200 3966.9846 20631.6465 14513.3368 235.3266 -203093.4392 2439.5407 0.0000 0.0000 52099.1008 -109207.5032 299.4142 -161306.6040 -108850.6176 299.5857 -196.4449 -169.1373 760739.6814 -18.4664 -18.3689 PRESSURE: 310400 -231.013 86.2508 -307.437 86.2508 28.565 -152.517 -307.438 -152.516 266.188 GPRESSURE: 310400 -125.572 97.7347 -274.039 91.8819 -52.202 -166.5 -254.187 -117.48 329.518 PRESSAVG: 310400 38.8662 -21.0973 34.6122 -21.0973 -57.6032 -63.2515 34.6122 -63.2515 0.26056 GPRESSAVG: 310400 39.1723 -21.3801 34.2135 -20.5993 -56.6621 -64.0925 35.9347 -61.7601 -0.960968 TIMING: 310400 CPU: 976.367, 0.00313476/step Wall: 976.367, 0.00313476/step, 4.08354 hours remaining, 235.503906 MB of memory in use. ENERGY: 310400 4011.4634 20463.4347 14579.4890 253.0283 -203088.0882 2566.1428 0.0000 0.0000 52180.0965 -109034.4335 299.8797 -161214.5300 -108664.1975 299.6813 21.2464 50.5812 762830.9598 -6.1588 -6.1503 PRESSURE: 310600 -193.611 20.3447 124.332 20.3446 -84.0737 -187.334 124.332 -187.333 207.14 GPRESSURE: 310600 -73.2274 -4.00427 179.018 39.1828 -123.309 -117.543 234.933 -72.0546 196.908 PRESSAVG: 310600 3.68631 21.9122 23.2095 21.9122 36.0264 3.05015 23.2095 3.05022 12.1422 GPRESSAVG: 310600 3.34738 23.3266 25.5284 21.6681 35.0324 2.93671 22.3273 3.58913 13.4873 TIMING: 310600 CPU: 976.995, 0.00314225/step Wall: 976.995, 0.00314225/step, 4.09313 hours remaining, 235.503906 MB of memory in use. ENERGY: 310600 3948.1580 20579.2878 14503.4026 233.7142 -203326.2788 2542.3743 0.0000 0.0000 52234.9952 -109284.3467 300.1952 -161519.3419 -108917.6003 300.0420 -23.5149 0.1240 760500.5222 17.2849 17.2890 PRESSURE: 310800 147.981 26.3781 143.92 26.3778 -242.006 57.8161 143.919 57.8172 199.56 GPRESSURE: 310800 104.199 -58.064 81.8796 -12.5863 -156.299 -31.1407 66.5929 88.7333 241.814 PRESSAVG: 310800 20.3634 25.4978 53.8351 25.4979 -38.9783 -42.3836 53.8351 -42.3835 29.9287 GPRESSAVG: 310800 19.3866 25.1002 50.3004 24.2185 -37.0656 -42.1654 56.4238 -41.9645 28.9499 TIMING: 310800 CPU: 977.629, 0.00316615/step Wall: 977.629, 0.00316615/step, 4.12408 hours remaining, 235.503906 MB of memory in use. ENERGY: 310800 3946.6473 20519.1733 14529.6299 230.3170 -203737.0811 2698.7594 0.0000 0.0000 52445.0274 -109367.5267 301.4023 -161812.5541 -108998.7772 299.5246 35.1782 63.2380 761106.1406 3.7713 3.7570 PRESSURE: 311000 38.8403 -83.0868 -118.216 -83.0863 38.8848 193.589 -118.217 193.588 -159.429 GPRESSURE: 311000 145.4 -19.7548 -56.5957 -4.27968 -40.9551 155.986 -82.999 134.42 -116.76 PRESSAVG: 311000 25.3901 -12.9767 40.3393 -12.9767 -12.9174 -5.40853 40.3393 -5.40851 4.64445 GPRESSAVG: 311000 26.0843 -12.0306 41.8883 -11.9834 -14.3073 -7.17161 38.2741 -6.8292 4.965 TIMING: 311000 CPU: 978.262, 0.00316891/step Wall: 978.262, 0.00316891/step, 4.1275 hours remaining, 235.503906 MB of memory in use. ENERGY: 311000 4020.2920 20571.1092 14511.8015 246.9731 -203450.8325 2581.5659 0.0000 0.0000 52134.3841 -109384.7066 299.6170 -161519.0907 -109020.2952 299.4439 -27.2347 -4.1051 761145.1601 5.7057 5.5807 PRESSURE: 311200 165.501 -19.144 -153.519 -19.1439 381.177 -180.735 -153.519 -180.735 319.319 GPRESSURE: 311200 268.308 -96.8992 -102.052 49.3654 348.617 -135.398 -162.937 -203.146 349.553 PRESSAVG: 311200 34.0875 0.563693 15.8426 0.563719 -23.6607 -33.8182 15.8425 -33.8183 -0.214502 GPRESSAVG: 311200 34.4153 -1.55632 13.0628 1.50325 -23.3202 -32.0149 15.9129 -31.8301 -0.717971 TIMING: 311200 CPU: 978.892, 0.00314761/step Wall: 978.892, 0.00314761/step, 4.09959 hours remaining, 235.503906 MB of memory in use. ENERGY: 311200 3930.1802 20442.9593 14566.3523 238.9127 -203772.0064 2955.6670 0.0000 0.0000 52173.1255 -109464.8093 299.8397 -161637.9349 -109102.1874 299.0832 288.6658 322.1591 758700.1485 3.4041 3.4590 PRESSURE: 311400 60.3576 -29.915 159.8 -29.9152 23.7584 -48.2969 159.799 -48.2966 150.594 GPRESSURE: 311400 38.2093 -25.1144 148.385 -34.0188 -15.1619 -80.5923 169.939 76.1676 303.695 PRESSAVG: 311400 17.8154 42.5819 93.4559 42.5818 -13.36 -51.3583 93.4559 -51.3584 -10.0706 GPRESSAVG: 311400 17.8765 44.7358 96.7703 40.763 -14.1844 -52.542 94.8873 -52.7559 -9.46367 TIMING: 311400 CPU: 979.52, 0.00313906/step Wall: 979.52, 0.00313906/step, 4.08828 hours remaining, 235.503906 MB of memory in use. ENERGY: 311400 3968.1304 20527.0233 14500.3185 247.1608 -203385.8524 2860.9753 0.0000 0.0000 51937.3508 -109344.8934 298.4847 -161282.2442 -108985.1062 299.6279 78.2366 108.9141 762665.3231 -1.8717 -1.9239 PRESSURE: 311600 -11.0853 124.514 -115.496 124.513 -130.365 153.116 -115.496 153.117 -159.803 GPRESSURE: 311600 18.795 62.65 -126.926 169.868 -35.5338 164.128 -58.4078 107.085 -172.29 PRESSAVG: 311600 21.8256 31.9989 50.2636 31.9989 -11.7952 -1.50105 50.2636 -1.50109 -7.94173 GPRESSAVG: 311600 22.8595 32.0478 47.5587 33.4841 -11.7458 -2.75574 48.6793 -0.988275 -8.0463 TIMING: 311600 CPU: 980.145, 0.00312566/step Wall: 980.145, 0.00312566/step, 4.07065 hours remaining, 235.503906 MB of memory in use. ENERGY: 311600 4043.2287 20377.2888 14539.0507 242.1874 -203442.6275 2743.6029 0.0000 0.0000 52047.7001 -109449.5688 299.1188 -161497.2690 -109082.4285 299.4347 -100.4175 -63.0096 762172.0321 0.6962 1.0224 PRESSURE: 311800 -233.843 -286.192 202.749 -286.192 -90.3485 -227.053 202.749 -227.053 -601.89 GPRESSURE: 311800 -163.205 -263.45 223.678 -311.667 -134.593 -306.755 48.0676 -94.2397 -558.269 PRESSAVG: 311800 -11.4381 -14.5418 56.9425 -14.5417 -7.85568 21.4186 56.9424 21.4186 -4.50295 GPRESSAVG: 311800 -12.7645 -14.2539 60.4931 -17.4063 -7.00836 23.1439 54.6681 19.0123 -3.95175 TIMING: 311800 CPU: 980.772, 0.0031338/step Wall: 980.772, 0.0031338/step, 4.08108 hours remaining, 235.503906 MB of memory in use. ENERGY: 311800 4038.1396 20507.4647 14551.4704 224.7532 -203400.4566 2540.6175 0.0000 0.0000 52124.3530 -109413.6582 299.5594 -161538.0112 -109053.5782 299.1072 -308.6940 -285.3558 761477.4286 -7.9322 -7.9082 PRESSURE: 312000 -212.924 -109.397 -49.6235 -109.397 -292.678 -122.009 -49.6237 -122.01 200.261 GPRESSURE: 312000 -108.242 -23.5661 -15.6374 -148.011 -303.939 -33.9936 -15.1818 -98.999 175.653 PRESSAVG: 312000 -10.0867 -38.605 -33.3581 -38.605 35.4923 -9.43378 -33.358 -9.43379 -3.40967 GPRESSAVG: 312000 -9.16865 -38.7048 -37.0969 -34.3955 35.694 -8.08474 -28.6732 -8.76497 -4.29284 TIMING: 312000 CPU: 981.4, 0.00314111/step Wall: 981.4, 0.00314111/step, 4.09042 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: 312000 3984.8031 20475.3360 14560.4041 239.7770 -203221.1876 2469.1564 0.0000 0.0000 52199.4257 -109292.2852 299.9908 -161491.7109 -108925.8635 299.6953 -101.7801 -78.8428 762101.3041 7.3320 7.4108 PRESSURE: 312200 -350.343 -39.7545 -115.016 -39.7537 -8.30767 126.271 -115.016 126.271 -226.001 GPRESSURE: 312200 -252.437 -54.4401 -124.706 16.7499 -22.4374 158.843 -83.8398 20.0854 -246.495 PRESSAVG: 312200 -3.85947 -50.6366 -19.4595 -50.6365 8.5269 5.09813 -19.4594 5.09817 -0.538351 GPRESSAVG: 312200 -4.64017 -50.4674 -16.7121 -52.7061 9.0733 3.73056 -20.9443 5.5585 -0.712928 TIMING: 312200 CPU: 982.028, 0.00314261/step Wall: 982.028, 0.00314261/step, 4.0922 hours remaining, 235.503906 MB of memory in use. ENERGY: 312200 3983.4582 20604.3856 14624.5815 258.8225 -203257.5524 2406.5400 0.0000 0.0000 52375.8132 -109003.9514 301.0045 -161379.7646 -108635.6826 299.9875 -194.8840 -173.7896 761507.3364 1.3764 1.2401 LDB: ============= START OF LOAD BALANCING ============== 994.48 LDB: ============== END OF LOAD BALANCING =============== 994.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 994.482 LDB: ============= START OF LOAD BALANCING ============== 994.798 LDB: Largest compute 7060 load 0.034453 is 17.7% of average load 0.194864 LDB: Average compute 0.004399 is 2.3% of average load 0.194864 LDB: TIME 994.802 LOAD: AVG 0.194864 MAX 0.213463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 994.803 LOAD: AVG 0.194864 MAX 0.213463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 994.803 LOAD: AVG 0.194864 MAX 0.213463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 994.805 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 994.809 PRESSURE: 312400 -53.3998 79.297 172.495 79.2965 -229.134 66.8366 172.495 66.8368 536.211 GPRESSURE: 312400 -70.7073 109.114 158.901 103.627 -47.2371 183.533 124.32 95.2754 459.241 PRESSAVG: 312400 -7.24344 -39.6497 26.3039 -39.6498 46.1645 82.3644 26.304 82.3645 -8.51697 GPRESSAVG: 312400 -8.57511 -41.2547 25.762 -39.1411 46.5729 82.2342 26.0993 84.6022 -7.99069 TIMING: 312400 CPU: 982.674, 0.00322617/step Wall: 982.674, 0.00322617/step, 4.20083 hours remaining, 235.054688 MB of memory in use. ENERGY: 312400 3950.4434 20626.4835 14473.7884 241.8344 -203499.6929 2802.1070 0.0000 0.0000 52264.4980 -109140.5381 300.3648 -161405.0361 -108772.3139 300.3470 84.5590 113.7656 761034.9095 10.1347 10.0024 PRESSURE: 312600 147.008 -191.822 -100.724 -191.822 -333.852 3.57712 -100.724 3.57761 -49.7506 GPRESSURE: 312600 99.4315 -100.766 -15.1317 -309.808 -161.347 2.80294 -76.6706 -80.9083 -74.0334 PRESSAVG: 312600 -2.64139 -40.7453 -23.5435 -40.7453 -8.91837 64.1569 -23.5435 64.1569 -25.3634 GPRESSAVG: 312600 -2.0677 -40.0373 -23.0571 -40.7157 -10.4864 63.7144 -24.4087 62.0657 -24.4696 TIMING: 312600 CPU: 983.302, 0.00314398/step Wall: 983.302, 0.00314398/step, 4.09363 hours remaining, 235.054688 MB of memory in use. ENERGY: 312600 4028.2208 20702.9216 14483.6533 247.7212 -203070.4029 2540.4442 0.0000 0.0000 52010.2879 -109057.1539 298.9038 -161067.4419 -108696.1079 300.2384 -78.8648 -45.3165 763832.7961 -12.3077 -12.3412 PRESSURE: 312800 59.4365 137.395 -135.816 137.395 173.349 33.5312 -135.816 33.5314 65.7761 GPRESSURE: 312800 204.309 41.0137 -202.513 95.1994 139.894 65.7203 -136.215 45.4257 53.8324 PRESSAVG: 312800 0.397866 -91.7551 -18.3657 -91.755 -32.6423 21.3446 -18.3657 21.3447 8.06001 GPRESSAVG: 312800 1.26811 -90.7167 -18.5228 -91.2459 -31.7786 22.7619 -17.8316 20.9108 6.13527 TIMING: 312800 CPU: 983.932, 0.00314922/step Wall: 983.932, 0.00314922/step, 4.10029 hours remaining, 235.054688 MB of memory in use. ENERGY: 312800 3974.4534 20568.4565 14550.5533 251.9573 -202943.0368 2310.0499 0.0000 0.0000 52090.1409 -109197.4255 299.3628 -161287.5664 -108827.9312 299.6000 99.5204 132.6786 761017.1206 -8.0615 -8.1251 PRESSURE: 313000 66.9989 175.024 -200.402 175.024 3.81072 -351.605 -200.403 -351.605 -90.4825 GPRESSURE: 313000 3.90837 93.6619 -142.177 177.44 102.804 -302.071 -222.289 -287.582 -18.6641 PRESSAVG: 313000 -41.4391 53.2377 -7.39788 53.2378 37.8175 7.64981 -7.39788 7.6498 14.828 GPRESSAVG: 313000 -41.8865 52.2449 -7.53797 52.5658 36.7513 6.64319 -8.56033 8.09659 16.5162 TIMING: 313000 CPU: 984.558, 0.00313054/step Wall: 984.558, 0.00313054/step, 4.07578 hours remaining, 235.054688 MB of memory in use. ENERGY: 313000 4005.4216 20398.4176 14504.1377 227.9250 -203019.7743 2541.9361 0.0000 0.0000 52297.1768 -109044.7596 300.5526 -161341.9363 -108674.1690 299.7155 -6.5576 29.3495 761735.4800 3.7355 3.7936 PRESSURE: 313200 -234.132 -65.4226 264.605 -65.4229 43.8458 -37.3067 264.605 -37.3058 162.856 GPRESSURE: 313200 -219.12 -199.442 214.054 93.5488 136.217 -55.2761 322.656 7.18658 142.067 PRESSAVG: 313200 -46.1721 7.88126 43.9199 7.88134 -7.7063 -16.5049 43.9199 -16.505 -18.1242 GPRESSAVG: 313200 -47.6815 8.72077 42.5876 8.66813 -5.35111 -14.7011 45.4882 -16.6852 -18.1643 TIMING: 313200 CPU: 985.184, 0.00313015/step Wall: 985.184, 0.00313015/step, 4.07511 hours remaining, 235.054688 MB of memory in use. ENERGY: 313200 4006.0416 20602.6394 14503.8169 253.7242 -202951.8373 2256.9577 0.0000 0.0000 52141.7434 -109186.9141 299.6593 -161328.6575 -108831.1190 299.9825 -9.1435 19.7212 762370.3690 -24.0009 -23.7323 PRESSURE: 313400 -169.007 -119.196 -52.4849 -119.196 -314.355 -46.1151 -52.486 -46.1139 -139.39 GPRESSURE: 313400 -112.566 -83.8523 -59.355 -12.8547 -299.219 -189.261 -36.0404 12.4439 -120.649 PRESSAVG: 313400 -15.946 -3.18818 6.5712 -3.1882 49.0809 38.8602 6.5712 38.8602 -7.3618 GPRESSAVG: 313400 -15.8403 -3.99292 7.91849 -0.658692 48.3473 37.361 4.89042 39.1031 -7.42011 TIMING: 313400 CPU: 985.813, 0.00314562/step Wall: 985.813, 0.00314562/step, 4.09507 hours remaining, 235.054688 MB of memory in use. ENERGY: 313400 4015.8170 20540.0810 14524.7201 237.9720 -203204.3861 2317.9969 0.0000 0.0000 52040.2792 -109527.5198 299.0762 -161567.7991 -109169.0104 299.8194 -207.5839 -177.4779 761929.4011 8.5910 8.3623 PRESSURE: 313600 -108.796 92.8106 -115.363 92.8109 -53.0695 -70.8907 -115.362 -70.8903 -75.7389 GPRESSURE: 313600 18.6832 159.725 -51.6145 158.9 -101.156 -22.0616 -141.575 3.25581 -73.4486 PRESSAVG: 313600 50.4386 -25.046 -19.0004 -25.046 -0.334988 -23.5509 -19.0004 -23.5509 11.1421 GPRESSAVG: 313600 52.6976 -24.6739 -20.7811 -27.0558 -1.64838 -23.2092 -17.2972 -23.4047 10.3179 TIMING: 313600 CPU: 986.442, 0.00314329/step Wall: 986.442, 0.00314329/step, 4.09187 hours remaining, 235.054688 MB of memory in use. ENERGY: 313600 3928.2059 20457.0626 14502.9182 236.0322 -203412.1398 2779.0411 0.0000 0.0000 52119.4929 -109389.3869 299.5314 -161508.8798 -109026.4720 299.1982 -79.2015 -51.9739 762097.3158 20.4152 20.4557 PRESSURE: 313800 83.8578 -34.7692 -45.4208 -34.7694 -156.128 134.827 -45.4204 134.827 297.592 GPRESSURE: 313800 92.0226 -55.1018 -51.9272 6.52366 -81.8626 192.439 21.3702 -13.3683 307.047 PRESSAVG: 313800 30.0738 4.06182 -2.17108 4.0619 7.23436 -39.03 -2.17111 -39.03 -2.13779 GPRESSAVG: 313800 27.4887 2.50625 -1.31066 5.97098 9.07461 -37.4119 -3.13417 -39.952 -1.58198 TIMING: 313800 CPU: 987.072, 0.003148/step Wall: 987.072, 0.003148/step, 4.09783 hours remaining, 235.054688 MB of memory in use. ENERGY: 313800 3942.2756 20658.9066 14413.8931 247.5224 -203295.6243 2444.5086 0.0000 0.0000 52168.7738 -109419.7442 299.8147 -161588.5180 -109051.3570 299.6003 75.1073 105.7357 761286.1794 11.7234 11.6605 PRESSURE: 314000 -560.049 -33.6438 -127.319 -33.6429 -754.166 74.0084 -127.319 74.0077 -90.4024 GPRESSURE: 314000 -611.256 46.3531 4.85704 78.5422 -624.054 30.6692 -128.83 63.2055 -92.5121 PRESSAVG: 314000 -4.31567 -19.174 20.1161 -19.174 -13.7512 -5.81632 20.1161 -5.81638 13.1963 GPRESSAVG: 314000 -2.90523 -18.1276 20.3353 -19.4252 -14.4379 -7.31603 20.1677 -6.0373 12.5885 TIMING: 314000 CPU: 987.698, 0.00313226/step Wall: 987.698, 0.00313226/step, 4.07716 hours remaining, 235.054688 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: 314000 4020.4290 20710.0884 14505.3364 240.2043 -202519.1473 1954.7782 0.0000 0.0000 51884.7843 -109203.5267 298.1826 -161088.3110 -108839.4793 299.2330 -468.2060 -442.6073 761306.4222 -1.6235 -1.5849 PRESSURE: 314200 57.9239 -63.1699 -54.0993 -63.1692 216.587 -109.87 -54.0986 -109.87 171.652 GPRESSURE: 314200 127.527 1.74706 -47.9829 -30.3141 228.088 -100.849 -92.6996 57.1271 189.388 PRESSAVG: 314200 -15.3169 1.88798 -21.3535 1.88812 39.3476 -12.4636 -21.3535 -12.4636 25.6169 GPRESSAVG: 314200 -16.098 2.62864 -22.4742 0.617034 39.601 -12.2053 -20.6015 -11.2748 26.1691 TIMING: 314200 CPU: 988.327, 0.00314499/step Wall: 988.327, 0.00314499/step, 4.09356 hours remaining, 235.054688 MB of memory in use. ENERGY: 314200 3958.5066 20740.0803 14431.2010 277.2537 -203310.1438 2381.4339 0.0000 0.0000 52197.8949 -109323.7734 299.9820 -161521.6683 -108964.7275 299.5663 148.7211 181.6680 759880.9976 16.5492 16.5573 PRESSURE: 314400 73.4083 78.9947 11.3245 78.9943 158.635 -53.7545 11.3242 -53.7549 267.976 GPRESSURE: 314400 107.366 104.328 -27.2527 61.8616 197.664 -50.5829 115.846 -45.0899 260.311 PRESSAVG: 314400 -10.3426 19.5772 14.8084 19.5772 40.6994 -24.7123 14.8084 -24.7123 2.43946 GPRESSAVG: 314400 -9.44063 18.8416 16.1066 18.5375 39.7592 -23.6717 13.252 -25.2222 1.8647 TIMING: 314400 CPU: 988.96, 0.00316166/step Wall: 988.96, 0.00316166/step, 4.11508 hours remaining, 235.054688 MB of memory in use. ENERGY: 314400 4025.4080 20449.0981 14521.9099 255.9087 -203446.0045 2872.4799 0.0000 0.0000 52185.7628 -109135.4370 299.9123 -161321.1998 -108775.7933 299.9873 166.6731 188.4473 762054.3881 10.9321 10.7277 PRESSURE: 314600 -123.555 -247.238 -102.993 -247.237 -145.89 172.468 -102.993 172.467 -120.578 GPRESSURE: 314600 -149.761 -168.061 -71.3725 -155.44 -22.2717 196.593 -90.8758 154.96 -102.809 PRESSAVG: 314600 -14.2475 -14.8995 -5.13295 -14.8995 -5.02074 -15.0007 -5.13293 -15.0006 -13.2944 GPRESSAVG: 314600 -13.5851 -15.0825 -5.81394 -14.328 -5.62308 -14.1911 -2.77751 -15.1992 -13.0958 TIMING: 314600 CPU: 989.591, 0.00315803/step Wall: 989.591, 0.00315803/step, 4.11017 hours remaining, 235.054688 MB of memory in use. ENERGY: 314600 4116.6508 20547.2878 14407.0949 232.8781 -203003.3605 2692.2687 0.0000 0.0000 52055.5572 -108951.6230 299.1640 -161007.1802 -108587.6544 300.2618 -130.0079 -91.6140 762850.4762 -10.8542 -10.7680 PRESSURE: 314800 -217.686 42.8002 262.618 42.8 -119.309 -153.25 262.618 -153.249 -189.966 GPRESSURE: 314800 -226.604 48.629 141.686 62.6561 -100.824 -180.016 204.391 -187.114 -118.374 PRESSAVG: 314800 -13.7112 -5.09953 -36.8442 -5.09949 25.4091 47.5233 -36.8442 47.5232 -6.42254 GPRESSAVG: 314800 -15.9837 -6.04798 -38.2454 -4.36394 27.5685 44.6661 -38.7093 48.7672 -6.40906 TIMING: 314800 CPU: 990.222, 0.00315411/step Wall: 990.222, 0.00315411/step, 4.1049 hours remaining, 235.054688 MB of memory in use. ENERGY: 314800 3986.6000 20628.9516 14550.2272 248.7854 -203482.9380 2772.5022 0.0000 0.0000 52237.3101 -109058.5616 300.2085 -161295.8717 -108702.8744 300.0053 -175.6539 -148.6006 761289.9050 1.7584 1.7252 PRESSURE: 315000 20.3505 210.874 -248.556 210.873 193.42 -61.0776 -248.556 -61.0768 154.972 GPRESSURE: 315000 78.3718 42.6884 -218.336 165.548 190.507 -43.0907 -209.458 -23.5006 166.329 PRESSAVG: 315000 -56.972 4.56044 16.1455 4.56045 58.744 -28.1143 16.1455 -28.1143 4.18057 GPRESSAVG: 315000 -55.2709 5.39199 18.5892 2.59086 57.6452 -27.5546 15.4956 -27.7635 3.66029 TIMING: 315000 CPU: 990.849, 0.00313389/step Wall: 990.849, 0.00313389/step, 4.0784 hours remaining, 235.054688 MB of memory in use. ENERGY: 315000 3962.6756 20508.4720 14478.7699 246.9943 -203247.0585 2503.9913 0.0000 0.0000 52464.6148 -109081.5406 301.5149 -161546.1553 -108717.9208 299.7631 122.9142 145.0695 760297.3366 1.9842 2.0115 PRESSURE: 315200 243.563 -65.3609 135.759 -65.3612 178.877 102.931 135.759 102.931 70.9143 GPRESSURE: 315200 151.076 51.8199 155.623 -117.736 225.262 137.31 87.0478 184.035 204.891 PRESSAVG: 315200 6.24531 -52.9433 -32.4537 -52.9433 -26.0763 23.9857 -32.4537 23.9858 -0.737864 GPRESSAVG: 315200 3.84855 -53.0433 -33.6059 -51.5897 -24.8806 26.181 -32.7372 23.5727 0.0471153 TIMING: 315200 CPU: 991.476, 0.00313585/step Wall: 991.476, 0.00313585/step, 4.08078 hours remaining, 235.054688 MB of memory in use. ENERGY: 315200 3987.0832 20595.8413 14490.2720 248.0858 -203142.2624 2490.7874 0.0000 0.0000 52380.5898 -108949.6029 301.0320 -161330.1927 -108588.9001 299.7800 164.4513 193.7427 759965.4084 -6.8563 -6.9950 PRESSURE: 315400 18.1427 -235.072 -267.287 -235.072 253.565 -66.7978 -267.288 -66.7982 459.978 GPRESSURE: 315400 79.8509 -176.603 -298.696 -205.763 243.007 -97.1736 -197.577 -161.703 497.877 PRESSAVG: 315400 -5.69613 4.78121 -87.1148 4.78117 37.7966 9.68477 -87.1148 9.68469 -27.5945 GPRESSAVG: 315400 -3.43745 4.51372 -85.5323 3.08519 36.2199 8.52619 -87.0375 8.00172 -28.6418 TIMING: 315400 CPU: 992.106, 0.00315237/step Wall: 992.106, 0.00315237/step, 4.10211 hours remaining, 235.054688 MB of memory in use. ENERGY: 315400 3997.8973 20576.5579 14497.6963 258.8015 -203245.4900 2653.0762 0.0000 0.0000 52441.7758 -108819.6849 301.3836 -161261.4607 -108453.8643 300.7041 243.8950 273.5780 762021.3947 1.5020 1.3802 PRESSURE: 315600 196.23 184.19 -9.94983 184.19 68.7283 46.747 -9.9489 46.7471 -81.1309 GPRESSURE: 315600 247.895 258.209 -37.8212 127.339 122.539 14.6137 12.6518 16.6551 -102.352 PRESSAVG: 315600 30.0474 -34.9725 -50.2044 -34.9724 -85.9125 4.17131 -50.2044 4.17133 28.8494 GPRESSAVG: 315600 29.606 -33.1506 -50.3942 -34.0978 -85.1202 5.78935 -47.8392 3.50082 28.374 TIMING: 315600 CPU: 992.739, 0.00316166/step Wall: 992.739, 0.00316166/step, 4.11402 hours remaining, 235.054688 MB of memory in use. ENERGY: 315600 3992.4433 20436.3991 14428.6422 244.0723 -203164.0661 2732.8493 0.0000 0.0000 52431.2856 -108898.3743 301.3233 -161329.6599 -108524.4898 300.4904 61.2757 89.3609 762227.7031 -9.0052 -9.0467 PRESSURE: 315800 -140.762 66.6173 -129.959 66.6174 -197.277 -226.745 -129.959 -226.744 136.787 GPRESSURE: 315800 -95.074 126.403 -28.3469 80.489 -197.328 -203.257 -30.7727 -300.763 165.815 PRESSAVG: 315800 43.365 -16.3833 -55.6345 -16.3833 -42.4055 4.15051 -55.6345 4.15046 -0.628292 GPRESSAVG: 315800 42.8282 -17.5904 -56.0368 -16.0963 -42.3166 2.52081 -55.4136 5.04829 -0.512225 TIMING: 315800 CPU: 993.37, 0.00315777/step Wall: 993.37, 0.00315777/step, 4.10878 hours remaining, 235.054688 MB of memory in use. ENERGY: 315800 4012.3743 20416.3929 14472.3634 242.2393 -203169.0109 2494.2175 0.0000 0.0000 52642.8758 -108888.5477 302.5393 -161531.4235 -108520.9319 300.8463 -67.0840 -42.1958 762435.2203 0.1104 -0.0002 PRESSURE: 316000 -54.9761 -237.6 -31.6159 -237.599 -38.0897 2.7627 -31.6161 2.763 -134.329 GPRESSURE: 316000 -24.9743 -189.999 16.2656 -250.15 10.3298 -8.79351 -66.2217 6.84448 -134.819 PRESSAVG: 316000 12.2423 -25.6751 -0.30845 -25.6751 -27.6775 -17.4513 -0.308485 -17.4513 12.9011 GPRESSAVG: 316000 12.4994 -26.55 -0.936146 -25.3705 -27.3172 -17.7689 0.389504 -16.9026 12.7879 TIMING: 316000 CPU: 994, 0.00314879/step Wall: 994, 0.00314879/step, 4.09693 hours remaining, 235.054688 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: 316000 4033.8577 20672.9048 14469.4163 244.1223 -203212.0029 2580.1913 0.0000 0.0000 52143.1034 -109068.4071 299.6671 -161211.5105 -108725.7128 300.1376 -75.7984 -49.8213 762124.9704 -0.8447 -0.6766 PRESSURE: 316200 -473.183 -221.099 352.232 -221.1 230.915 11.5419 352.231 11.5419 221.34 GPRESSURE: 316200 -380.701 -129.489 414.921 -151.98 255.513 -5.08242 94.1601 64.6817 198.701 PRESSAVG: 316200 46.3616 -58.5705 2.58826 -58.5705 -54.4961 -3.24268 2.58818 -3.24273 -4.02792 GPRESSAVG: 316200 46.6903 -59.2447 4.11646 -58.3765 -54.3751 -1.24521 -0.355895 -2.04458 -4.37905 TIMING: 316200 CPU: 994.63, 0.00314743/step Wall: 994.63, 0.00314743/step, 4.09498 hours remaining, 235.054688 MB of memory in use. ENERGY: 316200 4029.5191 20394.9689 14462.2219 261.2133 -203082.8538 2574.6843 0.0000 0.0000 52214.9807 -109145.2657 300.0802 -161360.2463 -108777.6576 299.7894 -6.9762 24.5045 761931.5965 -4.0542 -4.0213 LDB: ============= START OF LOAD BALANCING ============== 1007.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1007.08 LDB: =============== DONE WITH MIGRATION ================ 1007.08 LDB: ============= START OF LOAD BALANCING ============== 1007.4 LDB: Largest compute 7029 load 0.034046 is 17.5% of average load 0.194798 LDB: Average compute 0.004387 is 2.3% of average load 0.194798 LDB: TIME 1007.4 LOAD: AVG 0.194798 MAX 0.211116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1007.4 LOAD: AVG 0.194798 MAX 0.211116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 1007.4 LOAD: AVG 0.194798 MAX 0.211116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 1007.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1007.41 PRESSURE: 316400 -498.703 195.788 286.733 195.787 -183.327 -224.384 286.733 -224.383 -112.27 GPRESSURE: 316400 -519.294 27.4307 301.596 64.3517 -41.7686 -165.986 192.513 -319.707 -158.595 PRESSAVG: 316400 -0.357453 -29.4885 -40.9904 -29.4884 36.1212 -29.6365 -40.9903 -29.6365 -3.52364 GPRESSAVG: 316400 0.322761 -27.9153 -43.1097 -30.4757 35.5246 -31.2658 -40.3389 -29.4492 -3.36572 TIMING: 316400 CPU: 995.27, 0.00320422/step Wall: 995.27, 0.00320422/step, 4.16869 hours remaining, 236.074219 MB of memory in use. ENERGY: 316400 4023.8124 20581.6133 14495.4813 255.8165 -202889.6450 2322.7358 0.0000 0.0000 52176.2465 -109033.9393 299.8576 -161210.1858 -108683.0235 299.8033 -264.7667 -239.8858 761836.6092 10.7467 10.8272 PRESSURE: 316600 -124.543 -200.438 57.7175 -200.439 -31.4664 -78.9901 57.7167 -78.9894 -278.893 GPRESSURE: 316600 -146.618 -137.369 27.8799 -66.2068 9.09026 -48.8921 111.075 -10.1437 -225.353 PRESSAVG: 316600 -30.4602 21.055 -22.2412 21.055 17.6047 -16.9089 -22.2411 -16.9089 -3.44225 GPRESSAVG: 316600 -32.6385 19.2832 -19.9026 21.8459 19.2152 -18.3708 -23.1819 -17.8738 -2.28884 TIMING: 316600 CPU: 995.897, 0.00313548/step Wall: 995.897, 0.00313548/step, 4.07909 hours remaining, 236.277344 MB of memory in use. ENERGY: 316600 4030.6930 20437.4094 14628.0499 231.5693 -203457.3707 2567.1699 0.0000 0.0000 52238.5474 -109323.9319 300.2156 -161562.4793 -108960.5913 299.5590 -144.9675 -120.9604 760662.8395 -5.4326 -5.2374 PRESSURE: 316800 5.32535 187.454 22.1408 187.453 -297.353 -3.48581 22.141 -3.48527 137.845 GPRESSURE: 316800 54.3869 109.277 92.9161 174.735 -223.888 10.9981 -83.724 16.6929 107.634 PRESSAVG: 316800 22.7448 -38.4399 -30.536 -38.4399 -21.251 -7.58843 -30.536 -7.58842 6.47871 GPRESSAVG: 316800 22.4198 -36.817 -29.7187 -38.7269 -21.5095 -6.7641 -28.9951 -6.91421 6.79475 TIMING: 316800 CPU: 996.524, 0.00313301/step Wall: 996.524, 0.00313301/step, 4.0757 hours remaining, 236.277344 MB of memory in use. ENERGY: 316800 3959.1579 20349.2840 14507.5099 216.8399 -203096.5239 2661.5507 0.0000 0.0000 52077.9868 -109324.1948 299.2929 -161402.1815 -108957.4707 299.4491 -51.3940 -20.6224 762080.9966 2.6575 2.5683 PRESSURE: 317000 -146.837 172.464 -99.8666 172.465 -511.779 235.371 -99.8671 235.371 -321.145 GPRESSURE: 317000 -171.496 163.28 -83.118 178.883 -407.547 201.462 -86.6823 190.422 -313.844 PRESSAVG: 317000 3.9662 -9.80267 19.1632 -9.80262 17.2705 20.4027 19.1631 20.4027 -10.3399 GPRESSAVG: 317000 4.70925 -11.7958 19.1728 -10.7152 16.8886 20.8053 17.6092 17.5322 -10.6403 TIMING: 317000 CPU: 997.155, 0.00315255/step Wall: 997.155, 0.00315255/step, 4.10095 hours remaining, 236.277344 MB of memory in use. ENERGY: 317000 3942.2068 20453.7942 14517.4056 244.2681 -202957.1975 2404.7758 0.0000 0.0000 52101.7204 -109293.0266 299.4293 -161394.7470 -108910.7283 299.5210 -326.5869 -297.6289 762964.4318 3.6323 3.6525 PRESSURE: 317200 223.778 163.658 -16.4338 163.659 520.54 -268.002 -16.434 -268.002 180.417 GPRESSURE: 317200 304.278 134.951 -24.5528 148.188 395.761 -259.244 -23.8654 -148.71 314.467 PRESSAVG: 317200 -35.9336 -39.4048 22.0498 -39.4048 35.2202 12.4849 22.0497 12.4849 17.5532 GPRESSAVG: 317200 -35.3992 -37.2034 20.7805 -38.5598 33.6516 13.1535 22.2682 13.9434 18.3695 TIMING: 317200 CPU: 997.786, 0.00315688/step Wall: 997.786, 0.00315688/step, 4.10639 hours remaining, 236.277344 MB of memory in use. ENERGY: 317200 3998.6612 20448.2991 14515.3540 230.5319 -203029.6765 2591.1611 0.0000 0.0000 51849.4677 -109396.2015 297.9796 -161245.6692 -109029.0584 299.2113 308.2449 338.1686 761480.5933 5.6133 5.5406 PRESSURE: 317400 463.159 -1.82776 72.8761 -1.82789 260.059 126.683 72.876 126.683 599.897 GPRESSURE: 317400 399.971 -111.415 172.703 -93.339 410.455 101.9 -27.6659 115.596 618.143 PRESSAVG: 317400 -12.2145 -19.3778 2.06629 -19.3778 23.8227 39.997 2.06628 39.997 4.71165 GPRESSAVG: 317400 -11.9296 -20.1447 2.17878 -19.1677 26.0503 38.9489 4.12941 38.5703 2.23146 TIMING: 317400 CPU: 998.418, 0.00316206/step Wall: 998.418, 0.00316206/step, 4.11297 hours remaining, 236.277344 MB of memory in use. ENERGY: 317400 3910.5859 20392.5609 14546.3565 243.3330 -203455.5595 2844.2807 0.0000 0.0000 51996.0614 -109522.3811 298.8221 -161518.4425 -109157.0358 298.7882 441.0385 476.1898 761887.2770 5.4400 5.4507 PRESSURE: 317600 125.865 -124.317 110.812 -124.318 -5.93411 48.174 110.812 48.1746 70.4239 GPRESSURE: 317600 147.082 -188.135 110.807 -127.191 78.4401 25.2696 -6.12375 76.0875 47.7341 PRESSAVG: 317600 41.6588 -27.9166 10.1358 -27.9167 0.0358364 27.5996 10.1359 27.5996 13.4508 GPRESSAVG: 317600 40.5865 -26.9867 11.0018 -26.816 0.0653081 29.2478 7.15217 28.5003 14.691 TIMING: 317600 CPU: 999.05, 0.00316065/step Wall: 999.05, 0.00316065/step, 4.11096 hours remaining, 236.277344 MB of memory in use. ENERGY: 317600 3934.4724 20547.5508 14526.3547 249.5764 -203312.0917 2439.8360 0.0000 0.0000 51965.3386 -109648.9629 298.6455 -161614.3014 -109292.8038 298.5509 63.4516 91.0854 761887.3690 18.3818 18.4476 PRESSURE: 317800 26.3323 29.9352 240.722 29.9348 -141.962 -319.147 240.721 -319.147 134.47 GPRESSURE: 317800 41.3621 36.9886 225.336 1.36865 -211.927 -293.819 159.705 -373.001 260.647 PRESSAVG: 317800 -4.20067 -1.62021 48.0987 -1.62022 -48.5749 1.05325 48.0987 1.05334 -4.40221 GPRESSAVG: 317800 -3.02013 -2.84031 46.1473 -3.90553 -49.4094 -1.92231 51.2498 0.230443 -5.03897 TIMING: 317800 CPU: 999.684, 0.00316535/step Wall: 999.684, 0.00316535/step, 4.11689 hours remaining, 236.277344 MB of memory in use. ENERGY: 317800 3986.8791 20463.5987 14521.9431 239.7324 -203312.2037 2503.8349 0.0000 0.0000 52111.1867 -109485.0287 299.4837 -161596.2155 -109129.7775 298.8671 6.2802 30.0273 762009.3020 -19.0593 -19.1562 PRESSURE: 318000 107.009 -194.46 -10.6213 -194.46 -221.125 44.2998 -10.6216 44.3002 -214.31 GPRESSURE: 318000 251.467 -138.343 20.5011 -132.309 -186.781 45.6361 -88.547 -108.575 -298.879 PRESSAVG: 318000 -1.22732 -2.81729 19.2039 -2.81729 -13.5129 33.4567 19.2039 33.4567 8.21607 GPRESSAVG: 318000 -1.7541 -3.24997 21.3135 -2.63404 -13.0179 34.8552 16.5069 30.3943 8.25141 TIMING: 318000 CPU: 1000.31, 0.00314394/step Wall: 1000.31, 0.00314394/step, 4.08887 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: 318000 4011.3287 20414.4154 14543.1058 237.8611 -203411.0384 2748.1580 0.0000 0.0000 52218.4479 -109237.7214 300.1001 -161456.1694 -108880.1492 299.0075 -109.4752 -78.0644 762097.8135 -2.1747 -2.1735 PRESSURE: 318200 109.372 -96.2094 16.5792 -96.2105 -58.8119 -141.627 16.5784 -141.626 230.033 GPRESSURE: 318200 153.414 -81.4475 -24.191 -26.3278 -8.15513 -75.2509 56.9171 21.5335 228.336 PRESSAVG: 318200 34.2081 -8.65763 50.1196 -8.65764 -36.1999 -34.11 50.1195 -34.1099 -12.5156 GPRESSAVG: 318200 34.0501 -7.75268 49.6498 -7.19406 -36.1285 -33.5055 52.0979 -30.6051 -13.002 TIMING: 318200 CPU: 1000.94, 0.00315572/step Wall: 1000.94, 0.00315573/step, 4.10402 hours remaining, 236.277344 MB of memory in use. ENERGY: 318200 3933.9869 20468.0440 14507.9773 257.6934 -203283.3901 2740.9956 0.0000 0.0000 52086.6557 -109288.0371 299.3427 -161374.6929 -108934.2746 299.3909 93.5310 124.5317 761228.2922 -4.8358 -5.0268 PRESSURE: 318400 -134.757 -19.2378 55.3192 -19.2371 -23.126 184.197 55.3191 184.198 150.832 GPRESSURE: 318400 -74.0878 18.8589 101.831 -36.5433 -36.3394 138.489 -9.09435 111.053 172.757 PRESSAVG: 318400 57.8629 -14.5765 60.9211 -14.5765 -23.1323 -31.8016 60.9211 -31.8016 -18.6698 GPRESSAVG: 318400 58.7995 -13.5013 61.3481 -15.942 -24.5905 -32.853 59.1116 -32.4478 -17.7801 TIMING: 318400 CPU: 1001.58, 0.00316538/step Wall: 1001.58, 0.00316538/step, 4.1164 hours remaining, 236.277344 MB of memory in use. ENERGY: 318400 3992.7608 20566.5880 14540.0450 253.4682 -203414.3466 2636.2556 0.0000 0.0000 52160.8695 -109264.3595 299.7692 -161425.2291 -108906.1446 299.3695 -2.3505 20.7766 761306.8776 5.3536 5.4763 PRESSURE: 318600 -213.588 98.2059 -230.363 98.2057 -103.704 290.313 -230.363 290.313 69.3041 GPRESSURE: 318600 -109.146 29.1961 -194.314 22.9666 -78.6538 305.413 -141.866 366.682 39.9876 PRESSAVG: 318600 -19.128 -20.9535 -1.63316 -20.9535 44.8935 23.7778 -1.63309 23.7777 -22.8712 GPRESSAVG: 318600 -19.5818 -20.923 -1.83174 -20.2557 45.2453 23.4215 -0.706409 24.3297 -23.1585 TIMING: 318600 CPU: 1002.21, 0.00315912/step Wall: 1002.21, 0.00315912/step, 4.10809 hours remaining, 236.277344 MB of memory in use. ENERGY: 318600 3986.3738 20519.8553 14621.1913 259.1402 -203582.1813 2837.0985 0.0000 0.0000 51766.0939 -109592.4284 297.5005 -161358.5223 -109229.8359 298.7994 -82.6629 -49.2707 761310.6644 0.9648 0.8350 PRESSURE: 318800 -180.763 -64.2956 -64.1679 -64.2962 -92.5285 171.648 -64.1682 171.649 168.673 GPRESSURE: 318800 -140.639 -36.3723 -45.8877 -116.537 -74.7 219.338 -88.1095 92.1005 204.393 PRESSAVG: 318800 6.93701 -28.6818 16.5197 -28.6818 -34.6979 4.08264 16.5197 4.08261 -7.89644 GPRESSAVG: 318800 6.90448 -30.0362 16.7118 -29.4641 -33.9757 3.57019 14.872 3.62492 -8.67275 TIMING: 318800 CPU: 1002.84, 0.00316052/step Wall: 1002.84, 0.00316052/step, 4.10973 hours remaining, 236.277344 MB of memory in use. ENERGY: 318800 3973.1815 20472.9979 14542.4799 227.8451 -203301.2637 2471.5917 0.0000 0.0000 52101.2205 -109511.9471 299.4264 -161613.1676 -109151.8157 298.2092 -34.8727 -3.6486 762402.4751 -11.8858 -11.9147 PRESSURE: 319000 136.619 -225.315 18.288 -225.315 -18.9477 129.576 18.2874 129.576 108.936 GPRESSURE: 319000 265.659 -242.924 64.0478 -348.143 -17.3457 -8.19068 -69.2644 154.541 62.0996 PRESSAVG: 319000 -20.2772 19.9675 64.8748 19.9675 1.35798 21.6958 64.8749 21.6958 -0.714423 GPRESSAVG: 319000 -19.4161 20.0119 65.3933 19.932 -0.601172 23.1741 63.7692 19.7396 0.13042 TIMING: 319000 CPU: 1003.48, 0.00317428/step Wall: 1003.48, 0.00317428/step, 4.12745 hours remaining, 236.277344 MB of memory in use. ENERGY: 319000 3945.3799 20431.3238 14556.9269 245.8186 -203257.5781 2597.7239 0.0000 0.0000 51860.6905 -109619.7144 298.0441 -161480.4049 -109266.3921 298.3238 75.5357 103.4710 762444.5778 -6.5445 -6.6290 PRESSURE: 319200 -300.701 270.063 -19.7666 270.063 -205.131 -45.4635 -19.7661 -45.464 109.38 GPRESSURE: 319200 -311.714 307.616 -7.99909 278.149 -59.4697 -81.368 -122.648 146.297 73.0335 PRESSAVG: 319200 15.4305 17.2778 -12.4605 17.2777 -6.71121 12.5529 -12.4606 12.5529 -7.73286 GPRESSAVG: 319200 13.423 19.313 -13.0999 17.3234 -5.39494 12.0971 -9.71789 15.0474 -7.29141 TIMING: 319200 CPU: 1004.11, 0.0031514/step Wall: 1004.11, 0.00315141/step, 4.09753 hours remaining, 236.277344 MB of memory in use. ENERGY: 319200 4005.5324 20361.9363 14545.8698 257.4157 -202958.2613 2439.8022 0.0000 0.0000 51844.9241 -109502.7808 297.9535 -161347.7049 -109137.4772 298.5299 -132.1505 -99.3835 763977.7593 0.3288 0.2455 PRESSURE: 319400 229.991 -19.0505 -225.71 -19.0515 262.808 75.0731 -225.71 75.0733 34.8308 GPRESSURE: 319400 249.067 -1.65411 -193.634 88.5827 265.239 123.056 -170.878 39.6999 97.4918 PRESSAVG: 319400 20.6851 0.790533 -22.3438 0.790568 -54.7824 -26.4846 -22.3437 -26.4846 -0.531874 GPRESSAVG: 319400 21.655 -1.32723 -21.6961 2.71002 -55.3614 -25.7719 -23.3864 -29.4865 -1.10589 TIMING: 319400 CPU: 1004.74, 0.00315182/step Wall: 1004.74, 0.00315182/step, 4.09789 hours remaining, 236.277344 MB of memory in use. ENERGY: 319400 3985.4096 20397.2391 14588.0611 249.1935 -203490.7631 2734.6527 0.0000 0.0000 52069.7512 -109466.4560 299.2456 -161536.2072 -109106.8603 298.7114 175.8767 203.9325 762509.6170 -11.5431 -11.6041 PRESSURE: 319600 -249.645 -80.93 -181.787 -80.931 265 12.4042 -181.787 12.4034 111.471 GPRESSURE: 319600 -169.787 -59.5183 -177.55 -140.563 275.187 45.4226 -113.907 -18.6465 101.366 PRESSAVG: 319600 -61.3448 -9.16931 -21.3699 -9.16932 73.3192 -15.4223 -21.3699 -15.4223 -3.22242 GPRESSAVG: 319600 -60.0048 -7.32401 -20.6713 -9.9049 71.4697 -18.3499 -18.782 -13.5411 -3.05663 TIMING: 319600 CPU: 1005.36, 0.00313612/step Wall: 1005.36, 0.00313612/step, 4.07731 hours remaining, 236.277344 MB of memory in use. ENERGY: 319600 3884.6466 20383.2625 14562.7138 258.7783 -202781.8287 2147.0369 0.0000 0.0000 52129.9558 -109415.4347 299.5916 -161545.3906 -109052.9915 298.9435 42.2752 68.9218 762385.3926 2.9173 2.8027 PRESSURE: 319800 250.018 -39.5194 278.75 -39.5184 42.5674 -70.5427 278.75 -70.5426 291.084 GPRESSURE: 319800 335.126 0.709193 166.903 -11.756 122.063 7.64625 141.321 -61.526 214.913 PRESSAVG: 319800 -24.4105 -5.73646 -9.55552 -5.73644 48.0781 31.2914 -9.55551 31.2914 0.255397 GPRESSAVG: 319800 -26.3323 -6.28598 -11.1306 -5.60241 49.6178 32.6476 -11.4684 30.175 0.76005 TIMING: 319800 CPU: 1005.99, 0.00314964/step Wall: 1005.99, 0.00314964/step, 4.09471 hours remaining, 236.277344 MB of memory in use. ENERGY: 319800 3891.7827 20555.1156 14569.8390 238.8836 -203498.8094 2746.1576 0.0000 0.0000 52010.0649 -109486.9660 298.9026 -161497.0309 -109122.4486 298.3129 194.5567 224.0342 762193.2155 7.9743 8.0152 PRESSURE: 320000 -124.656 -106.454 66.0879 -106.454 140.998 -92.6955 66.0876 -92.6946 266.976 GPRESSURE: 320000 -171.209 -118.657 49.0577 -136.611 230.035 -29.1349 62.6793 -56.5224 302.697 PRESSAVG: 320000 0.343927 -8.96971 51.6667 -8.96968 -25.7289 11.2189 51.6667 11.2189 -20.1769 GPRESSAVG: 320000 -0.00937211 -8.38154 51.9519 -9.16719 -25.4755 12.4 52.0425 14.4118 -20.6856 TIMING: 320000 CPU: 1006.62, 0.00314249/step Wall: 1006.62, 0.00314249/step, 4.08524 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: 320000 3928.4054 20559.4290 14531.3405 244.8866 -203597.4418 2630.7610 0.0000 0.0000 52254.0942 -109448.5251 300.3050 -161702.6193 -109096.2359 298.5675 94.4392 120.5076 762104.1031 -15.1873 -15.3901 PRESSURE: 320200 57.9344 84.3867 -131.324 84.3868 -266.598 -298.935 -131.323 -298.935 225.163 GPRESSURE: 320200 149.946 72.8651 -164.351 96.181 -286.308 -351.549 -98.0684 -323.433 221.974 PRESSAVG: 320200 31.9247 -25.803 8.5796 -25.803 -53.6836 -4.87165 8.57959 -4.87173 -2.54374 GPRESSAVG: 320200 32.3134 -27.4862 9.06496 -27.4998 -52.5537 -4.19517 8.00252 -7.34559 -3.50859 TIMING: 320200 CPU: 1007.25, 0.00316076/step Wall: 1007.25, 0.00316076/step, 4.10881 hours remaining, 236.277344 MB of memory in use. ENERGY: 320200 3902.8848 20601.2125 14539.4368 254.7419 -203574.6822 2686.0933 0.0000 0.0000 52277.5327 -109312.7802 300.4397 -161590.3129 -108937.0945 299.7672 5.4995 28.5375 761323.7700 -8.1009 -7.9163 LDB: ============= START OF LOAD BALANCING ============== 1019.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1019.71 LDB: =============== DONE WITH MIGRATION ================ 1019.71 LDB: ============= START OF LOAD BALANCING ============== 1020.03 LDB: Largest compute 7077 load 0.033576 is 17.2% of average load 0.194939 LDB: Average compute 0.004386 is 2.2% of average load 0.194939 LDB: TIME 1020.03 LOAD: AVG 0.194939 MAX 0.210277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.609 MB LDB: TIME 1020.03 LOAD: AVG 0.194939 MAX 0.210277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: TIME 1020.03 LOAD: AVG 0.194939 MAX 0.210277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: ============== END OF LOAD BALANCING =============== 1020.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1020.04 PRESSURE: 320400 254.293 -97.4741 135.767 -97.4739 82.6181 281.948 135.767 281.948 11.5269 GPRESSURE: 320400 354.092 -34.7297 105.584 -110.046 80.3715 182.431 102.25 183.462 11.5327 PRESSAVG: 320400 77.7078 22.8646 3.23329 22.8646 -64.0277 10.885 3.23326 10.885 -10.2153 GPRESSAVG: 320400 76.7079 24.5359 2.52416 25.4585 -64.609 10.74 5.13698 9.10157 -8.5928 TIMING: 320400 CPU: 1007.9, 0.00323661/step Wall: 1007.9, 0.00323661/step, 4.20724 hours remaining, 236.085938 MB of memory in use. ENERGY: 320400 3876.4559 20469.7971 14453.5671 259.0421 -203773.8252 3014.9955 0.0000 0.0000 52368.5068 -109331.4608 300.9625 -161699.9675 -108966.9649 299.4291 116.1461 148.6653 763139.0431 1.1549 1.1687 PRESSURE: 320600 150.75 141.828 114.025 141.829 81.3964 77.726 114.025 77.7256 -216.859 GPRESSURE: 320600 198.007 -11.2638 118.608 153.084 114.61 114.994 34.7429 -27.3634 -193.63 PRESSAVG: 320600 68.7707 -33.1953 22.4522 -33.1953 -56.2155 -27.267 22.4521 -27.267 28.309 GPRESSAVG: 320600 69.8189 -36.3872 22.0854 -34.1345 -56.8645 -26.8767 21.0633 -26.2686 28.0043 TIMING: 320600 CPU: 1008.53, 0.00313439/step Wall: 1008.53, 0.00313439/step, 4.07419 hours remaining, 236.085938 MB of memory in use. ENERGY: 320600 3952.2019 20519.7058 14466.8291 240.4603 -203226.9107 2547.6012 0.0000 0.0000 52058.3507 -109441.7617 299.1801 -161500.1124 -109085.5670 299.2458 5.0957 39.6623 761381.4846 13.6214 13.6529 PRESSURE: 320800 -12.6358 -10.8346 -40.599 -10.8341 -101.137 124.554 -40.5994 124.554 271.219 GPRESSURE: 320800 23.8451 115.409 -125.475 -51.9246 -74.4474 121.709 -39.6579 109.651 306.576 PRESSAVG: 320800 26.6628 7.71784 -37.6889 7.71788 -43.6056 32.4815 -37.6889 32.4815 -16.5565 GPRESSAVG: 320800 26.1654 11.0758 -37.0064 8.52073 -42.7474 31.9493 -39.5402 32.6524 -16.5041 TIMING: 320800 CPU: 1009.16, 0.0031507/step Wall: 1009.16, 0.0031507/step, 4.09521 hours remaining, 236.085938 MB of memory in use. ENERGY: 320800 3892.9486 20315.2651 14469.8165 246.3043 -203048.8435 2581.5691 0.0000 0.0000 52035.5551 -109507.3846 299.0491 -161542.9398 -109141.4985 298.7881 52.4821 85.3246 762635.0048 -11.1665 -11.0287 PRESSURE: 321000 -247.619 -61.9357 103.698 -61.9358 -62.2032 36.0386 103.697 36.0389 -127.96 GPRESSURE: 321000 -143.503 -130.844 126.997 -53.5551 -54.7173 -4.27908 217.235 37.3954 -175.053 PRESSAVG: 321000 29.9382 1.06963 -56.0662 1.06959 26.6208 41.4945 -56.0662 41.4944 0.635266 GPRESSAVG: 321000 30.8389 -2.51937 -55.4556 1.27618 26.1734 40.1671 -55.1905 41.6416 0.471601 TIMING: 321000 CPU: 1009.79, 0.00317813/step Wall: 1009.79, 0.00317813/step, 4.13069 hours remaining, 236.085938 MB of memory in use. ENERGY: 321000 4013.1148 20366.8713 14434.8311 247.4908 -203524.9958 2624.3505 0.0000 0.0000 52261.5713 -109576.7661 300.3480 -161838.3374 -109194.9334 298.8588 -145.9274 -124.4247 762222.1044 19.0648 19.1613 PRESSURE: 321200 113.055 142.814 -37.8075 142.815 206.528 -47.7089 -37.8072 -47.7098 113.381 GPRESSURE: 321200 143.884 173.173 -47.9868 46.6207 193.751 -2.54841 -55.4816 -45.9861 176.353 PRESSAVG: 321200 35.3535 4.17 -19.3159 4.17005 -33.0285 -9.14318 -19.3159 -9.14312 -7.09606 GPRESSAVG: 321200 35.3515 5.26374 -19.8465 2.56556 -32.643 -8.24015 -17.3572 -7.43847 -6.97912 TIMING: 321200 CPU: 1010.43, 0.00317147/step Wall: 1010.43, 0.00317147/step, 4.12185 hours remaining, 236.085938 MB of memory in use. ENERGY: 321200 4033.3583 20732.5358 14516.0485 247.7218 -203392.5678 2814.8246 0.0000 0.0000 51764.1764 -109283.9025 297.4894 -161048.0789 -108933.1565 298.7655 144.3214 171.3292 761732.5146 -1.5904 -1.4235 PRESSURE: 321400 -150.161 -82.5598 -119.412 -82.5602 -523.495 248.861 -119.412 248.859 -300.336 GPRESSURE: 321400 -126.119 -86.7548 -72.5699 -147.124 -512.905 275.755 -102.623 62.3245 -263.598 PRESSAVG: 321400 19.2739 23.3401 -31.7073 23.34 -50.7545 15.2809 -31.7073 15.2808 7.73287 GPRESSAVG: 321400 19.9608 23.4358 -31.042 24.0512 -52.3638 15.0349 -31.1748 13.3354 8.54245 TIMING: 321400 CPU: 1011.06, 0.00315161/step Wall: 1011.06, 0.00315161/step, 4.09587 hours remaining, 236.085938 MB of memory in use. ENERGY: 321400 3967.2640 20654.7201 14449.5885 244.3119 -203036.3021 2311.5961 0.0000 0.0000 52130.2428 -109278.5787 299.5932 -161408.8215 -108911.8350 299.5350 -324.6639 -300.8740 764904.8022 -7.9159 -7.9535 PRESSURE: 321600 -97.9484 143.921 -332.112 143.921 -199.377 100.01 -332.112 100.012 -183.553 GPRESSURE: 321600 -1.47735 81.3769 -290.249 215.44 -202.886 122.31 -236.017 23.7477 -201.462 PRESSAVG: 321600 -0.966241 -62.4886 30.0345 -62.4886 -25.5087 51.6647 30.0345 51.6647 -26.6793 GPRESSAVG: 321600 -0.758158 -63.4657 30.1053 -62.8033 -24.6188 49.693 28.3831 52.0534 -27.1291 TIMING: 321600 CPU: 1011.69, 0.00316569/step Wall: 1011.69, 0.00316569/step, 4.11399 hours remaining, 236.085938 MB of memory in use. ENERGY: 321600 3996.7875 20483.4369 14539.4739 269.0695 -203629.0426 2812.5480 0.0000 0.0000 52186.6644 -109341.0624 299.9175 -161527.7268 -108969.1226 298.9024 -160.2927 -135.2751 762565.4711 -17.7181 -17.5020 PRESSURE: 321800 102.672 -23.3308 -81.9057 -23.3306 -31.3038 116.516 -81.9062 116.516 152.895 GPRESSURE: 321800 134.551 -21.99 -20.1817 80.6577 61.3847 101.29 -92.5455 116.644 160.588 PRESSAVG: 321800 34.4974 2.38928 -17.6846 2.38928 -14.0769 41.8066 -17.6847 41.8066 5.41424 GPRESSAVG: 321800 34.8921 2.69511 -18.2343 3.93534 -13.7815 43.4306 -16.6939 41.0147 5.19834 TIMING: 321800 CPU: 1012.32, 0.00315866/step Wall: 1012.32, 0.00315866/step, 4.10468 hours remaining, 236.085938 MB of memory in use. ENERGY: 321800 3954.4535 20583.9950 14568.4193 234.3425 -203381.3221 2520.6903 0.0000 0.0000 52063.5661 -109455.8555 299.2100 -161519.4216 -109099.0222 299.1709 74.7544 118.8410 761343.7771 8.6116 8.7697 PRESSURE: 322000 350.202 -113.384 80.5324 -113.384 161.062 10.4662 80.5332 10.4662 201.561 GPRESSURE: 322000 330.847 -133.059 5.49154 -35.3403 213.829 48.3269 57.3145 -8.49486 260.506 PRESSAVG: 322000 19.3246 -13.2559 50.9428 -13.2559 -56.6737 47.8271 50.9428 47.8271 0.418771 GPRESSAVG: 322000 17.0974 -13.3802 50.0393 -12.7975 -56.8993 49.2312 51.6845 47.7556 2.9091 TIMING: 322000 CPU: 1012.96, 0.00317513/step Wall: 1012.96, 0.00317513/step, 4.12591 hours remaining, 236.085938 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: 322000 3938.5889 20743.1818 14585.4380 250.3232 -203220.1925 2591.0423 0.0000 0.0000 52053.0518 -109058.5665 299.1496 -161111.6183 -108696.3464 299.3741 237.6085 268.3940 762090.6634 -12.3101 -12.2976 PRESSURE: 322200 -126.759 5.6643 -41.5399 5.66501 333.376 230.683 -41.5406 230.683 58.4466 GPRESSURE: 322200 -144.782 -90.7848 64.6269 -73.7104 405.471 242.622 40.0068 201.249 85.7377 PRESSAVG: 322200 45.0008 -24.824 -10.6728 -24.824 -17.8606 56.0356 -10.6727 56.0357 18.4586 GPRESSAVG: 322200 46.1799 -24.9761 -10.4043 -24.7072 -16.4336 54.6795 -9.39745 55.4447 16.1656 TIMING: 322200 CPU: 1013.59, 0.00317549/step Wall: 1013.59, 0.00317549/step, 4.12619 hours remaining, 236.085938 MB of memory in use. ENERGY: 322200 4028.2151 20508.1864 14531.4355 258.0859 -203472.6914 2741.4434 0.0000 0.0000 52333.6536 -109071.6716 300.7622 -161405.3252 -108707.7622 300.2276 88.3546 115.4756 762866.8138 15.1996 15.3039 PRESSURE: 322400 136.35 -87.2076 176.556 -87.2076 -160.688 -223.304 176.556 -223.304 170.482 GPRESSURE: 322400 149.683 -85.0113 161.961 -126.526 -93.9902 -267.195 117.625 -79.0314 188.818 PRESSAVG: 322400 -2.04657 -0.91989 4.60424 -0.919894 9.14753 45.3988 4.60426 45.3987 -13.6308 GPRESSAVG: 322400 -1.13929 0.456591 5.86598 -2.91546 8.46422 43.7168 2.2296 47.2395 -13.6423 TIMING: 322400 CPU: 1014.23, 0.00319289/step Wall: 1014.23, 0.00319289/step, 4.14862 hours remaining, 236.085938 MB of memory in use. ENERGY: 322400 3926.7367 20570.7961 14506.3895 260.9927 -203447.1198 2624.9647 0.0000 0.0000 52110.3286 -109446.9116 299.4788 -161557.2401 -109087.3353 300.0596 48.7146 81.5037 762540.7040 -2.1766 -2.1058 PRESSURE: 322600 -184.7 2.58233 -136.081 2.58241 -344.187 183.817 -136.081 183.817 103.035 GPRESSURE: 322600 -260.038 13.0695 -190.84 82.9505 -234.502 188.308 -26.7574 154.411 167.755 PRESSAVG: 322600 29.077 -35.2908 -64.7433 -35.2908 -52.3173 0.440924 -64.7433 0.440979 3.84676 GPRESSAVG: 322600 27.4246 -37.1414 -66.7352 -34.8651 -50.9168 1.3195 -62.754 0.962045 4.36405 TIMING: 322600 CPU: 1014.86, 0.00315868/step Wall: 1014.86, 0.00315868/step, 4.10401 hours remaining, 236.085938 MB of memory in use. ENERGY: 322600 3936.9006 20463.0380 14555.0265 238.3484 -203303.8446 2486.0612 0.0000 0.0000 52170.7992 -109453.6708 299.8263 -161624.4700 -109085.4972 299.4212 -141.9509 -108.9284 763074.5604 -6.4645 -6.3760 PRESSURE: 322800 -147.561 -131.437 -246.387 -131.436 9.46136 76.0532 -246.386 76.0536 -351.009 GPRESSURE: 322800 -78.4051 -158.157 -215.429 -174.399 -26.3641 83.2967 -326.242 -26.1292 -298.101 PRESSAVG: 322800 49.4033 -73.1424 28.7279 -73.1424 -18.3281 -10.5977 28.7279 -10.5977 17.4987 GPRESSAVG: 322800 50.7712 -70.5043 30.9783 -74.6429 -17.9592 -9.46711 28.1257 -12.8536 16.1848 TIMING: 322800 CPU: 1015.5, 0.00316545/step Wall: 1015.5, 0.00316545/step, 4.11262 hours remaining, 236.085938 MB of memory in use. ENERGY: 322800 3985.8573 20484.3761 14609.0327 262.3211 -203613.9587 2463.0506 0.0000 0.0000 52286.9083 -109522.4126 300.4936 -161809.3208 -109166.7022 299.5909 -163.0361 -134.2902 761432.2404 16.1913 16.3323 PRESSURE: 323000 -106.061 -50.8451 -8.97511 -50.8452 182.188 -3.59322 -8.97525 -3.59276 74.2536 GPRESSURE: 323000 -3.81993 29.8626 34.7812 -78.4638 127.81 12.911 73.6882 -27.9792 109.911 PRESSAVG: 323000 87.2311 -57.8082 20.9369 -57.8082 -83.9568 -7.98277 20.9368 -7.98275 9.35469 GPRESSAVG: 323000 87.1735 -60.4906 20.4551 -56.2079 -84.6703 -10.0556 19.5597 -5.91567 10.0324 TIMING: 323000 CPU: 1016.13, 0.00316206/step Wall: 1016.13, 0.00316206/step, 4.10805 hours remaining, 236.085938 MB of memory in use. ENERGY: 323000 3987.1332 20532.2472 14554.0586 252.9302 -203450.5817 2667.9611 0.0000 0.0000 52000.0665 -109456.1850 298.8451 -161456.2515 -109093.8251 299.2053 50.1269 77.9670 762741.0794 4.2097 4.1785 PRESSURE: 323200 -253.046 184.005 224.852 184.004 204.672 206.815 224.85 206.814 171.469 GPRESSURE: 323200 -157.255 136.393 207.315 196.827 174.463 270.527 202.899 20.3535 205.269 PRESSAVG: 323200 56.3308 -8.67727 22.0331 -8.67734 -26.5754 -3.1465 22.0331 -3.1466 22.7123 GPRESSAVG: 323200 56.1314 -6.43005 21.9732 -7.33431 -26.5862 -0.663411 23.9295 -6.44649 23.345 TIMING: 323200 CPU: 1016.77, 0.00318079/step Wall: 1016.77, 0.00318079/step, 4.13221 hours remaining, 236.085938 MB of memory in use. ENERGY: 323200 3997.8676 20428.9569 14586.8245 238.5364 -203441.9430 2656.5760 0.0000 0.0000 52029.3279 -109503.8537 299.0133 -161533.1817 -109142.9150 298.7995 41.0318 74.1591 761021.4862 17.4892 17.6301 PRESSURE: 323400 120.249 63.9646 153.344 63.9642 58.5713 155.364 153.343 155.365 -196.793 GPRESSURE: 323400 136.265 -60.4257 82.0971 117.501 111.447 189.437 2.72167 298.872 -178.529 PRESSAVG: 323400 32.6243 7.18905 58.2796 7.18912 -2.08714 21.1641 58.2796 21.164 1.16427 GPRESSAVG: 323400 33.2314 4.67616 55.9581 8.16937 -1.39558 21.2745 54.5358 20.6789 0.704369 TIMING: 323400 CPU: 1017.4, 0.00315086/step Wall: 1017.4, 0.00315086/step, 4.09314 hours remaining, 236.085938 MB of memory in use. ENERGY: 323400 4038.0298 20455.2046 14453.2370 239.7078 -203000.1960 2403.9025 0.0000 0.0000 51818.4540 -109591.6603 297.8014 -161410.1143 -109240.3980 298.5032 -5.9911 23.0612 762257.8938 10.5671 10.8467 PRESSURE: 323600 -196.468 80.8957 47.2415 80.896 -5.27303 -0.0729872 47.2417 -0.0735242 -408.345 GPRESSURE: 323600 -260.958 8.44473 169.242 85.9695 145.095 -83.7722 49.7026 65.2588 -420.505 PRESSAVG: 323600 42.8981 0.92736 79.7188 0.927399 -49.1547 16.2416 79.7187 16.2416 3.10418 GPRESSAVG: 323600 42.3747 2.18172 83.9851 -1.15582 -49.5374 13.3155 80.5575 19.7391 3.91424 TIMING: 323600 CPU: 1018.02, 0.00314006/step Wall: 1018.02, 0.00314006/step, 4.07893 hours remaining, 236.085938 MB of memory in use. ENERGY: 323600 3969.1163 20477.8115 14456.3740 254.0772 -203103.6497 2380.7264 0.0000 0.0000 52020.0396 -109545.5047 298.9599 -161565.5443 -109178.6800 298.7350 -203.3622 -178.7891 761884.7791 -1.0508 -1.0828 PRESSURE: 323800 -157.999 -160.63 -71.4444 -160.629 -223.157 -40.2755 -71.4445 -40.2757 -253.577 GPRESSURE: 323800 -145.766 -175.662 -200.173 -53.7231 -146.805 76.998 -56.2524 -32.1366 -273.612 PRESSAVG: 323800 27.2328 -31.7553 51.3467 -31.7553 9.17894 23.7191 51.3466 23.7191 2.2903 GPRESSAVG: 323800 26.5563 -30.5852 48.9076 -32.7584 9.49583 25.9958 51.9061 22.3466 2.71436 TIMING: 323800 CPU: 1018.65, 0.00314323/step Wall: 1018.65, 0.00314323/step, 4.08288 hours remaining, 236.085938 MB of memory in use. ENERGY: 323800 4065.0136 20418.4386 14571.8639 237.0515 -202822.4373 2301.3000 0.0000 0.0000 51838.8349 -109389.9349 297.9185 -161228.7698 -109017.0148 298.8495 -211.5777 -188.7277 761718.8727 12.9007 12.9222 PRESSURE: 324000 -50.1586 -44.8076 -79.5146 -44.8079 -31.3231 -51.2941 -79.5141 -51.2941 -93.7262 GPRESSURE: 324000 -59.7452 32.4315 -98.3667 -68.5294 101.776 -35.391 -49.186 -75.6401 -134.467 PRESSAVG: 324000 14.0398 -46.1719 5.70399 -46.172 13.1515 5.54132 5.70399 5.54132 -11.0267 GPRESSAVG: 324000 13.961 -47.1549 3.93979 -45.4889 13.3571 6.7166 5.34238 4.3092 -11.3209 TIMING: 324000 CPU: 1019.28, 0.00314849/step Wall: 1019.28, 0.00314849/step, 4.08954 hours remaining, 236.085938 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: 324000 3971.2932 20552.2354 14500.8160 262.6479 -203229.7600 2658.4810 0.0000 0.0000 52167.0072 -109117.2794 299.8045 -161284.2866 -108756.0216 299.6851 -58.4026 -30.8123 763193.1680 5.3882 5.3324 PRESSURE: 324200 -31.1196 -80.3573 -66.2041 -80.3574 11.2311 176.6 -66.2044 176.599 -203.546 GPRESSURE: 324200 8.38682 -154.666 -82.1887 17.3167 -1.44146 220.861 56.0319 194.292 -151.407 PRESSAVG: 324200 29.2085 -34.0802 -38.4054 -34.0801 -6.6341 39.5552 -38.4054 39.5552 21.3806 GPRESSAVG: 324200 29.3637 -33.6317 -37.9437 -33.5305 -5.23565 38.3531 -36.483 43.1354 19.5229 TIMING: 324200 CPU: 1019.91, 0.00313634/step Wall: 1019.91, 0.00313634/step, 4.07359 hours remaining, 236.085938 MB of memory in use. ENERGY: 324200 3958.2454 20605.5221 14597.7946 247.9864 -203156.8938 2352.0000 0.0000 0.0000 52158.5802 -109236.7650 299.7561 -161395.3452 -108871.2132 299.8639 -74.4782 -48.1538 761516.7931 14.6517 14.5503 LDB: ============= START OF LOAD BALANCING ============== 1032.36 LDB: ============== END OF LOAD BALANCING =============== 1032.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1032.36 LDB: ============= START OF LOAD BALANCING ============== 1032.68 LDB: Largest compute 7060 load 0.035272 is 18.1% of average load 0.194869 LDB: Average compute 0.004390 is 2.3% of average load 0.194869 LDB: TIME 1032.68 LOAD: AVG 0.194869 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.824 MB LDB: TIME 1032.68 LOAD: AVG 0.194869 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 1032.68 LOAD: AVG 0.194869 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 1032.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1032.69 PRESSURE: 324400 -302.97 -101.966 -107.263 -101.966 -195.405 -142.119 -107.262 -142.118 -172.998 GPRESSURE: 324400 -209.839 -114.116 -78.5941 -142.428 -239.966 -76.2894 -140.376 -153.321 -119.734 PRESSAVG: 324400 -41.6081 -33.3817 -16.1696 -33.3816 59.0305 21.1447 -16.1696 21.1447 -19.9421 GPRESSAVG: 324400 -40.4902 -33.9871 -14.3444 -33.5071 57.4684 21.6776 -17.2502 20.0879 -18.8076 TIMING: 324400 CPU: 1020.56, 0.0032294/step Wall: 1020.56, 0.0032294/step, 4.19428 hours remaining, 236.390625 MB of memory in use. ENERGY: 324400 4015.9200 20584.5997 14546.0289 235.5509 -202928.2249 2605.2091 0.0000 0.0000 51806.8146 -109134.1017 297.7345 -160940.9162 -108783.7237 299.0947 -223.7909 -189.8466 761400.9260 -0.8399 -0.6098 PRESSURE: 324600 -316.432 107.365 80.7356 107.364 -89.6911 41.0505 80.7363 41.0503 -158.281 GPRESSURE: 324600 -268.326 16.1663 142.351 108.973 22.7522 -69.8911 -69.289 -62.748 -214.448 PRESSAVG: 324600 -34.212 -103.333 64.9497 -103.333 -12.0906 1.94985 64.9497 1.94993 -10.7983 GPRESSAVG: 324600 -35.8588 -104.244 64.6705 -102.072 -10.3645 1.25308 64.727 -0.36811 -11.107 TIMING: 324600 CPU: 1021.19, 0.00315095/step Wall: 1021.19, 0.00315095/step, 4.09221 hours remaining, 236.593750 MB of memory in use. ENERGY: 324600 4018.5171 20645.9338 14530.8923 251.8366 -202996.1607 2317.6477 0.0000 0.0000 52090.5153 -109140.8178 299.3649 -161231.3331 -108770.4326 299.8332 -188.1345 -153.3407 760959.8936 -19.0336 -19.1101 PRESSURE: 324800 -24.6877 256.606 12.7833 256.606 504.331 -52.1605 12.783 -52.1604 780.006 GPRESSURE: 324800 81.7638 199.288 43.9713 154.368 468.173 -14.606 109.457 7.66748 795.392 PRESSAVG: 324800 21.2343 -43.5422 9.19604 -43.5422 -17.2629 -34.8826 9.19611 -34.8827 -1.6386 GPRESSAVG: 324800 22.6926 -44.0445 8.4403 -44.7655 -20.3301 -34.3566 11.2002 -34.469 -0.399516 TIMING: 324800 CPU: 1021.81, 0.00314321/step Wall: 1021.81, 0.00314321/step, 4.08198 hours remaining, 236.593750 MB of memory in use. ENERGY: 324800 3944.9104 20641.7298 14547.7795 250.1928 -203545.1332 2857.5224 0.0000 0.0000 52131.0924 -109171.9060 299.5981 -161302.9984 -108819.0633 300.1546 419.8833 448.4429 759183.9681 0.7776 0.6543 PRESSURE: 325000 -2.25952 -165.738 -100.067 -165.739 116.44 -111.735 -100.067 -111.735 123.217 GPRESSURE: 325000 69.567 -30.7411 -186.868 -164.794 127.247 -20.0006 -144.028 -3.74831 155.252 PRESSAVG: 325000 75.0431 13.3465 24.2215 13.3465 -8.5073 -2.70984 24.2215 -2.7098 -3.96295 GPRESSAVG: 325000 73.0675 14.9109 24.0786 13.0628 -7.09071 -1.45883 23.6853 -3.78459 -3.87264 TIMING: 325000 CPU: 1022.44, 0.00314271/step Wall: 1022.44, 0.00314271/step, 4.08115 hours remaining, 236.593750 MB of memory in use. ENERGY: 325000 4044.9540 20491.2083 14495.4825 245.7501 -202898.2463 2410.0973 0.0000 0.0000 52051.4087 -109159.3454 299.1402 -161210.7541 -108801.5991 299.8136 79.1324 117.3553 759928.8339 20.8576 20.7014 PRESSURE: 325200 189.145 -41.8399 -171.527 -41.8398 -117.82 3.11624 -171.527 3.1167 30.505 GPRESSURE: 325200 151.519 18.1583 -140.865 -132.192 -97.0238 87.5059 -204.701 -106.872 111.844 PRESSAVG: 325200 27.4959 -9.12279 10.7958 -9.12278 -23.5607 -8.07357 10.7958 -8.07361 -31.8858 GPRESSAVG: 325200 28.1287 -9.19432 11.7054 -7.20907 -24.6906 -8.40659 9.54508 -7.42848 -31.627 TIMING: 325200 CPU: 1023.07, 0.00313042/step Wall: 1023.07, 0.00313043/step, 4.06503 hours remaining, 236.593750 MB of memory in use. ENERGY: 325200 3992.8368 20488.8973 14465.1642 263.0572 -203264.3481 2520.0456 0.0000 0.0000 52115.5454 -109418.8015 299.5088 -161534.3469 -109050.7554 299.7809 33.9435 55.4464 760727.0771 -9.3169 -9.3963 PRESSURE: 325400 171.391 95.3338 -7.46005 95.334 16.3677 -16.9928 -7.46072 -16.9936 200.308 GPRESSURE: 325400 214.296 -23.3548 -19.5949 71.3227 85.6388 37.1332 -0.00124314 -5.6747 169.788 PRESSAVG: 325400 24.9369 28.9995 13.1572 28.9994 -16.2768 -11.394 13.1572 -11.394 -7.76405 GPRESSAVG: 325400 25.2897 30.1469 12.6176 26.7692 -15.9485 -11.333 13.96 -11.5314 -8.86391 TIMING: 325400 CPU: 1023.7, 0.00313701/step Wall: 1023.7, 0.00313701/step, 4.07341 hours remaining, 236.593750 MB of memory in use. ENERGY: 325400 3942.3654 20588.7319 14370.9850 255.0447 -203306.3794 2545.6201 0.0000 0.0000 51805.3250 -109798.3073 297.7259 -161603.6322 -109434.0292 298.6498 129.3553 156.5742 762523.7602 0.2987 0.1591 PRESSURE: 325600 118.365 -67.9846 209.269 -67.985 -231.124 -11.4521 209.269 -11.4525 -18.9808 GPRESSURE: 325600 75.0665 -18.9431 216.985 -35.6542 -70.6672 47.4814 185.431 115.371 -53.232 PRESSAVG: 325600 8.90953 -0.44665 1.30273 -0.446617 20.364 -7.55227 1.30273 -7.55226 -6.62088 GPRESSAVG: 325600 8.45996 -1.71813 3.3486 0.544575 20.9641 -7.73071 0.259628 -5.25995 -6.38003 TIMING: 325600 CPU: 1024.32, 0.00314052/step Wall: 1024.32, 0.00314052/step, 4.07779 hours remaining, 236.593750 MB of memory in use. ENERGY: 325600 3952.7076 20464.1107 14475.8220 244.1795 -203355.8425 2752.6954 0.0000 0.0000 52020.4279 -109445.8995 298.9621 -161466.3274 -109081.1560 298.7190 -43.9135 -16.2776 759792.4415 7.5509 7.6814 PRESSURE: 325800 29.219 130.402 -184.749 130.401 210.175 -197.531 -184.749 -197.532 -31.4248 GPRESSURE: 325800 107.193 158.518 -179.575 196.521 128.051 -228.236 -193.472 -148.507 52.4879 PRESSAVG: 325800 32.645 -19.0737 11.0851 -19.0736 -10.8511 -19.4247 11.0851 -19.4247 -4.42721 GPRESSAVG: 325800 32.5423 -20.26 10.3373 -18.2176 -10.6307 -18.0457 11.0349 -22.1378 -4.39487 TIMING: 325800 CPU: 1024.95, 0.00313071/step Wall: 1024.95, 0.00313071/step, 4.06487 hours remaining, 236.593750 MB of memory in use. ENERGY: 325800 4005.4123 20356.4899 14551.7476 245.0331 -203225.9392 2646.2112 0.0000 0.0000 52111.4120 -109309.6332 299.4850 -161421.0452 -108948.5454 299.0981 69.3231 95.9104 762811.3671 5.7889 5.8389 PRESSURE: 326000 -104.161 -88.5549 -67.9225 -88.5553 -83.3162 137.695 -67.923 137.695 -256.208 GPRESSURE: 326000 -103.765 15.6849 -118.674 -171.01 -38.7167 83.913 -66.6954 172.876 -212.975 PRESSAVG: 326000 19.26 42.712 -10.4713 42.712 -26.4698 59.0452 -10.4712 59.0451 -2.34437 GPRESSAVG: 326000 19.1558 44.7261 -10.7204 43.2234 -26.4596 56.7131 -7.97176 59.0764 -2.33216 TIMING: 326000 CPU: 1025.58, 0.00314247/step Wall: 1025.58, 0.00314247/step, 4.07997 hours remaining, 236.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 326000 4027.6601 20406.0199 14538.7911 250.6105 -202963.5889 2494.4720 0.0000 0.0000 52274.1628 -108971.8724 300.4203 -161246.0352 -108613.9239 299.4403 -147.8950 -118.4856 762350.0290 -3.1847 -3.2120 PRESSURE: 326200 -49.8702 -128.259 133.492 -128.257 -34.8749 25.8527 133.492 25.852 -104.866 GPRESSURE: 326200 -8.70323 -40.0905 19.2766 -177.769 -11.9171 6.03894 227.14 -45.492 -72.2678 PRESSAVG: 326200 9.03491 13.5715 33.596 13.5715 -6.50964 72.1871 33.596 72.1871 14.2326 GPRESSAVG: 326200 9.3782 13.7285 32.444 11.1249 -7.00278 73.1019 33.1621 73.459 13.9641 TIMING: 326200 CPU: 1026.21, 0.00315488/step Wall: 1026.21, 0.00315488/step, 4.09591 hours remaining, 236.593750 MB of memory in use. ENERGY: 326200 4039.8963 20430.1674 14482.7539 242.7018 -202795.8156 2414.1922 0.0000 0.0000 52064.5762 -109121.5279 299.2158 -161186.1040 -108762.7149 299.8870 -63.2038 -30.9627 762957.6255 5.5860 5.4465 PRESSURE: 326400 176.934 118.985 217.123 118.984 49.4561 4.64911 217.123 4.65075 119.892 GPRESSURE: 326400 44.6253 180.701 160.034 203.144 182.045 3.44363 228.014 -2.68873 187.403 PRESSAVG: 326400 32.8633 -8.69292 11.5058 -8.69296 12.9345 12.0753 11.5058 12.0753 -1.48757 GPRESSAVG: 326400 33.07 -9.27035 12.1294 -7.97561 12.6163 9.46443 9.28337 13.1367 -1.49669 TIMING: 326400 CPU: 1026.83, 0.00311406/step Wall: 1026.83, 0.00311406/step, 4.04274 hours remaining, 236.593750 MB of memory in use. ENERGY: 326400 3976.4754 20457.7315 14539.0524 232.8495 -202830.8601 2563.1873 0.0000 0.0000 52069.7949 -108991.7692 299.2458 -161061.5641 -108625.7568 300.1896 115.4273 138.0246 761796.1817 14.7701 14.7299 PRESSURE: 326600 -250.106 0.709185 286.93 0.709884 -141.201 -244.199 286.929 -244.2 -564.673 GPRESSURE: 326600 -248.01 -22.7826 253.097 41.08 -108.841 -125.612 176.176 -163.706 -509.342 PRESSAVG: 326600 31.985 -69.8514 41.6767 -69.8514 -28.6326 -45.8316 41.6768 -45.8315 -9.03404 GPRESSAVG: 326600 30.5891 -71.8213 42.0629 -67.9396 -27.9923 -42.1251 42.5698 -46.5522 -8.27673 TIMING: 326600 CPU: 1027.46, 0.00312527/step Wall: 1027.46, 0.00312527/step, 4.05712 hours remaining, 236.593750 MB of memory in use. ENERGY: 326600 4047.2173 20542.0671 14422.7092 246.2977 -203008.3482 2596.8211 0.0000 0.0000 52474.7627 -108678.4732 301.5732 -161153.2358 -108325.1301 300.3063 -318.6600 -288.7307 764214.5722 -1.8939 -1.8933 PRESSURE: 326800 -183.863 168.877 -191.269 168.877 -44.6628 137.896 -191.269 137.895 -134.518 GPRESSURE: 326800 -128.312 145.975 -208.45 191.045 16.7752 127.245 -64.2363 88.5389 -146.544 PRESSAVG: 326800 -1.60312 -36.0201 19.8651 -36.0202 9.45216 -11.0429 19.8651 -11.0428 20.1058 GPRESSAVG: 326800 -0.464322 -34.2869 19.3528 -38.2915 9.13188 -10.931 19.5246 -12.9252 19.2631 TIMING: 326800 CPU: 1028.08, 0.00312482/step Wall: 1028.08, 0.00312482/step, 4.05636 hours remaining, 236.593750 MB of memory in use. ENERGY: 326800 3986.3464 20513.9310 14488.4424 243.1202 -202587.2080 2314.3394 0.0000 0.0000 52302.4702 -108738.5583 300.5830 -161041.0285 -108372.5527 300.3939 -121.0144 -86.0270 764058.1394 9.3183 9.3102 PRESSURE: 327000 -404.71 -232.423 -63.451 -232.423 26.9484 5.66654 -63.4518 5.66688 84.5836 GPRESSURE: 327000 -291.905 -203.95 -10.6749 -250.318 9.68223 14.3943 9.96517 42.8247 82.9209 PRESSAVG: 327000 41.7003 -41.294 40.8468 -41.2941 -42.6847 -19.3915 40.8468 -19.3915 -15.7766 GPRESSAVG: 327000 41.1856 -41.2535 41.4698 -39.7551 -42.2771 -19.8622 41.3707 -18.0544 -15.4409 TIMING: 327000 CPU: 1028.71, 0.00313558/step Wall: 1028.71, 0.00313558/step, 4.07016 hours remaining, 236.593750 MB of memory in use. ENERGY: 327000 4061.7663 20581.2097 14567.5201 246.5160 -202721.0258 2291.3990 0.0000 0.0000 52027.8322 -108944.7826 299.0047 -160972.6148 -108592.2700 300.4411 -97.7259 -66.4340 762377.5591 -5.5870 -5.5108 PRESSURE: 327200 10.6428 -10.6107 -162.654 -10.6104 -69.6669 50.5389 -162.654 50.5377 -72.6518 GPRESSURE: 327200 79.8629 -67.4396 -223.841 -7.91257 -43.0665 27.7818 -83.6784 24.3063 -89.0572 PRESSAVG: 327200 -15.1686 -54.6051 65.4019 -54.6051 30.3456 -1.73836 65.4019 -1.73828 11.5749 GPRESSAVG: 327200 -14.2765 -52.524 63.8819 -54.1528 29.9247 -2.59298 66.5679 -1.9581 10.9539 TIMING: 327200 CPU: 1029.34, 0.00313062/step Wall: 1029.34, 0.00313062/step, 4.06355 hours remaining, 236.593750 MB of memory in use. ENERGY: 327200 3982.1561 20622.0464 14468.9352 246.1565 -203091.1074 2506.4609 0.0000 0.0000 52382.3330 -108883.0193 301.0420 -161265.3523 -108513.4702 299.9928 -43.8920 -17.4203 763996.3254 8.9173 8.8674 PRESSURE: 327400 180.271 123.958 -110.896 123.958 123.552 -234.33 -110.896 -234.33 109.007 GPRESSURE: 327400 277.252 76.2959 -114.691 142.617 102.107 -155.915 -16.2799 -197.75 110.148 PRESSAVG: 327400 31.4481 -61.1655 -3.2123 -61.1655 -30.3392 -19.3165 -3.2123 -19.3165 5.11506 GPRESSAVG: 327400 30.4422 -64.0202 -1.60439 -62.5268 -30.6301 -19.336 -5.28945 -19.7347 6.0123 TIMING: 327400 CPU: 1029.96, 0.00313651/step Wall: 1029.96, 0.00313651/step, 4.07102 hours remaining, 236.593750 MB of memory in use. ENERGY: 327400 4005.6365 20598.8023 14527.5837 274.0274 -203229.4724 2625.5522 0.0000 0.0000 52392.0485 -108805.8218 301.0978 -161197.8703 -108448.2002 300.3446 137.6103 163.1688 761490.7161 2.0747 1.9415 PRESSURE: 327600 86.8835 -203.415 58.7449 -203.416 -153.682 -45.4554 58.7449 -45.4555 -412.965 GPRESSURE: 327600 117.573 -247.061 134.573 -179.406 -174.433 11.6475 -21.8734 15.1544 -338.299 PRESSAVG: 327600 84.0547 -85.9901 18.8485 -85.9901 -39.9845 -3.28342 18.8485 -3.28342 1.61649 GPRESSAVG: 327600 84.2203 -85.5317 21.4786 -86.525 -38.9823 -4.76386 17.2262 -1.75112 0.952927 TIMING: 327600 CPU: 1030.59, 0.00314009/step Wall: 1030.59, 0.00314009/step, 4.07549 hours remaining, 236.593750 MB of memory in use. ENERGY: 327600 4011.7989 20560.7131 14508.1607 226.8547 -203110.8445 2398.6842 0.0000 0.0000 52420.7317 -108983.9013 301.2627 -161404.6330 -108620.3168 300.6898 -159.9213 -131.7197 763928.2558 15.2289 15.3970 PRESSURE: 327800 45.1638 86.9896 234.454 86.9897 -262.714 245.88 234.455 245.88 257.882 GPRESSURE: 327800 88.4225 26.1966 227.498 65.086 -278.745 152.759 242.559 228.256 312.048 PRESSAVG: 327800 -30.8804 -47.8494 -9.84646 -47.8494 0.489743 38.6408 -9.8464 38.6408 5.95466 GPRESSAVG: 327800 -31.8093 -48.7767 -12.2093 -45.3249 1.02566 40.1996 -9.3008 38.4159 5.96133 TIMING: 327800 CPU: 1031.22, 0.00313025/step Wall: 1031.22, 0.00313025/step, 4.06254 hours remaining, 236.593750 MB of memory in use. ENERGY: 327800 3920.0725 20697.9756 14468.5195 255.2559 -203389.3778 2645.1237 0.0000 0.0000 52076.1244 -109326.3063 299.2822 -161402.4307 -108976.2859 299.8584 13.4437 40.5753 762310.5906 -8.1453 -8.2741 PRESSURE: 328000 19.0146 -311.169 42.7488 -311.169 17.9212 -200.762 42.7482 -200.762 229.457 GPRESSURE: 328000 130.664 -408.662 106.588 -218.825 -27.4376 -191.408 43.3997 -101.045 252.361 PRESSAVG: 328000 -42.0744 -62.8021 -5.31349 -62.8021 20.4224 -29.1507 -5.31345 -29.1508 15.0305 GPRESSAVG: 328000 -40.9299 -61.4448 -6.01963 -64.276 19.1941 -29.5224 -4.48452 -27.8338 15.3383 TIMING: 328000 CPU: 1031.85, 0.00314521/step Wall: 1031.85, 0.00314521/step, 4.08178 hours remaining, 236.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 328000 3896.2905 20749.8960 14487.3129 243.7876 -203557.4870 2729.2605 0.0000 0.0000 51937.7371 -109513.2025 298.4869 -161450.9396 -109155.2640 299.1791 88.7976 118.5294 762444.2670 -2.2072 -2.1325 PRESSURE: 328200 -402.8 -187.229 276.239 -187.228 37.2293 181.397 276.239 181.397 383.26 GPRESSURE: 328200 -341.086 -171.045 250.161 -293.735 62.5925 85.9255 212.651 360.09 386.818 PRESSAVG: 328200 -39.657 -64.7085 -4.23298 -64.7085 34.9675 65.4373 -4.233 65.4373 17.6561 GPRESSAVG: 328200 -40.6558 -65.3268 -4.63559 -65.764 35.5794 65.6818 -2.8562 64.7375 17.9529 TIMING: 328200 CPU: 1032.48, 0.00314869/step Wall: 1032.48, 0.00314869/step, 4.08612 hours remaining, 236.593750 MB of memory in use. ENERGY: 328200 4057.5576 20519.9225 14446.5662 246.4130 -203722.2653 2911.0132 0.0000 0.0000 52127.1955 -109413.5973 299.5757 -161540.7928 -109055.5856 299.1993 5.8963 36.1080 762205.0502 4.3222 4.2922 LDB: ============= START OF LOAD BALANCING ============== 1044.93 LDB: ============== END OF LOAD BALANCING =============== 1044.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1044.93 LDB: ============= START OF LOAD BALANCING ============== 1045.25 LDB: Largest compute 7060 load 0.035675 is 18.3% of average load 0.194879 LDB: Average compute 0.004385 is 2.3% of average load 0.194879 LDB: TIME 1045.25 LOAD: AVG 0.194879 MAX 0.215686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.746 MB LDB: TIME 1045.25 LOAD: AVG 0.194879 MAX 0.215686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 1045.25 LOAD: AVG 0.194879 MAX 0.215686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 1045.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1045.26 PRESSURE: 328400 -68.9988 64.5877 -246.22 64.5871 -59.326 150.971 -246.22 150.971 49.6605 GPRESSURE: 328400 -19.8462 -16.4802 -249.448 -31.8919 -11.3537 80.265 -115.728 200.554 26.6461 PRESSAVG: 328400 8.143 -51.3398 -21.9865 -51.3398 11.7547 22.0829 -21.9865 22.083 -2.51639 GPRESSAVG: 328400 8.17196 -51.7378 -20.6267 -49.4696 12.1844 21.4454 -22.1336 23.9697 -3.61275 TIMING: 328400 CPU: 1033.12, 0.00323374/step Wall: 1033.12, 0.00323374/step, 4.19632 hours remaining, 234.792969 MB of memory in use. ENERGY: 328400 3998.4196 20647.2331 14425.6173 244.9533 -203094.2350 2365.4471 0.0000 0.0000 51780.9242 -109631.6405 297.5857 -161412.5646 -109269.6467 298.8631 -26.2214 -1.5179 761724.3328 5.7938 5.5812 PRESSURE: 328600 -224.012 196.498 -77.0409 196.498 -217.689 -82.1727 -77.0411 -82.1719 136.034 GPRESSURE: 328600 -142.074 264.364 -199.963 99.2755 -195.574 43.4518 -3.0157 -161.482 110.89 PRESSAVG: 328600 -33.3605 -29.38 7.66322 -29.38 -8.27159 22.9926 7.66319 22.9926 21.9096 GPRESSAVG: 328600 -33.9921 -28.1003 5.81031 -29.9579 -8.05101 23.7154 8.15863 22.3411 22.1254 TIMING: 328600 CPU: 1033.76, 0.00316324/step Wall: 1033.76, 0.00316324/step, 4.10466 hours remaining, 234.792969 MB of memory in use. ENERGY: 328600 3973.5848 20653.9664 14487.7014 247.7750 -203030.7785 2325.2474 0.0000 0.0000 51782.8178 -109559.6857 297.5966 -161342.5035 -109206.5119 298.9309 -101.8891 -75.5862 762091.8941 -6.5741 -6.6392 PRESSURE: 328800 234.715 -77.5377 95.2241 -77.5374 257.754 277.414 95.2234 277.414 122.556 GPRESSURE: 328800 279.863 -14.4856 85.6569 -156.085 332.731 187.329 -18.3273 149.715 92.9197 PRESSAVG: 328800 -23.1535 -19.0416 36.714 -19.0416 -4.20573 38.2487 36.714 38.2487 4.47074 GPRESSAVG: 328800 -24.0722 -21.1374 38.8951 -19.6742 -4.08141 37.2301 34.6769 35.0338 4.53655 TIMING: 328800 CPU: 1034.39, 0.00315916/step Wall: 1034.39, 0.00315916/step, 4.09919 hours remaining, 234.792969 MB of memory in use. ENERGY: 328800 3912.0856 20587.9238 14582.5484 242.4484 -203615.5233 2687.7001 0.0000 0.0000 51856.0509 -109746.7660 298.0174 -161602.8169 -109375.8920 298.5076 205.0080 235.1715 761454.0150 -7.6295 -7.8724 PRESSURE: 329000 -138.31 -1.33853 103.228 -1.3382 -305.241 41.259 103.228 41.2598 -295.893 GPRESSURE: 329000 -159.123 -43.2842 52.0827 23.6837 -203.005 13.9427 103.581 68.0228 -288.313 PRESSAVG: 329000 50.8936 -36.0358 51.4842 -36.0359 -42.2026 63.548 51.4842 63.548 -33.4572 GPRESSAVG: 329000 52.6 -33.9536 49.9877 -35.039 -43.3878 65.1176 51.9946 64.5238 -34.2029 TIMING: 329000 CPU: 1035.02, 0.00315344/step Wall: 1035.02, 0.00315344/step, 4.09159 hours remaining, 234.792969 MB of memory in use. ENERGY: 329000 3985.1040 20527.7125 14508.8352 227.1709 -203360.3354 2587.8042 0.0000 0.0000 52040.5245 -109483.1840 299.0776 -161523.7085 -109118.4934 298.3602 -246.4812 -216.8140 762125.3497 -8.2554 -8.3302 PRESSURE: 329200 90.4841 14.726 -118.865 14.7263 -69.1787 -110.169 -118.866 -110.169 -52.9027 GPRESSURE: 329200 143.313 145.999 -116.469 8.55567 -30.7795 -147.056 -263.508 -61.0328 -66.932 PRESSAVG: 329200 -44.6754 -11.6192 47.5478 -11.6192 12.2407 -8.72863 47.5478 -8.72859 8.61817 GPRESSAVG: 329200 -45.1782 -11.7348 47.6721 -10.3579 12.495 -10.093 49.4576 -7.30487 8.57294 TIMING: 329200 CPU: 1035.65, 0.00316086/step Wall: 1035.65, 0.00316086/step, 4.10103 hours remaining, 234.792969 MB of memory in use. ENERGY: 329200 4028.0331 20511.4677 14492.6349 233.2036 -203011.9942 2202.9665 0.0000 0.0000 52293.2898 -109250.3986 300.5303 -161543.6884 -108885.9833 299.2132 -10.5324 15.2007 763704.8702 -7.9388 -8.0368 PRESSURE: 329400 -287.751 49.3901 -74.9268 49.3895 172.798 60.4419 -74.9266 60.4425 -165.88 GPRESSURE: 329400 -105.377 29.5521 -117.717 -40.2043 47.73 115.445 -7.04896 -44.8313 -135.961 PRESSAVG: 329400 0.31896 -16.3574 -32.0793 -16.3575 -13.5062 26.4922 -32.0793 26.4922 -15.2545 GPRESSAVG: 329400 0.123073 -18.1427 -32.2811 -17.9957 -13.5031 26.8586 -33.6817 25.9884 -14.7631 TIMING: 329400 CPU: 1036.28, 0.00315232/step Wall: 1036.28, 0.00315232/step, 4.08978 hours remaining, 234.792969 MB of memory in use. ENERGY: 329400 3968.2815 20518.6105 14481.7450 273.0325 -203067.6959 2346.4401 0.0000 0.0000 52185.6085 -109293.9778 299.9114 -161479.5863 -108926.1385 299.4764 -93.6111 -64.5360 763607.9365 -9.4806 -9.3810 PRESSURE: 329600 122.635 86.2778 -68.1374 86.2786 -217.406 -0.428312 -68.1381 -0.428037 -276.602 GPRESSURE: 329600 54.39 -4.46479 -53.1977 63.3532 -180.823 -17.6069 14.4669 114.541 -162.397 PRESSAVG: 329600 1.78227 -28.0634 25.0089 -28.0634 -14.6126 39.5952 25.0089 39.5952 3.63438 GPRESSAVG: 329600 0.796329 -25.168 27.3591 -29.7264 -14.2046 39.3651 25.2668 40.8214 4.28608 TIMING: 329600 CPU: 1036.91, 0.00313323/step Wall: 1036.91, 0.00313323/step, 4.06484 hours remaining, 234.792969 MB of memory in use. ENERGY: 329600 4010.9866 20476.2728 14490.4709 226.5743 -203511.8182 2627.2411 0.0000 0.0000 52088.2302 -109592.0422 299.3518 -161680.2724 -109230.5949 298.9235 -123.7912 -96.2767 760774.1657 -3.0653 -3.0407 PRESSURE: 329800 -70.4166 -93.5202 120.817 -93.5211 -46.6037 -194.379 120.816 -194.38 234.43 GPRESSURE: 329800 -15.6334 -19.2853 32.6688 -107.015 77.1572 -170.703 16.6491 -212.13 139.759 PRESSAVG: 329800 25.6489 -6.97651 13.3667 -6.97655 -42.5331 14.497 13.3668 14.497 -5.02291 GPRESSAVG: 329800 26.6237 -7.81232 10.8721 -6.24919 -42.874 15.0969 12.9544 14.6659 -5.36579 TIMING: 329800 CPU: 1037.53, 0.00313185/step Wall: 1037.53, 0.00313185/step, 4.06287 hours remaining, 234.792969 MB of memory in use. ENERGY: 329800 4067.1035 20402.4705 14507.4992 225.9149 -203652.5684 2867.1752 0.0000 0.0000 51892.8388 -109689.5664 298.2289 -161582.4052 -109335.8390 298.5525 39.1365 67.0943 762728.1590 -7.3023 -7.2054 PRESSURE: 330000 102.938 -67.0648 245.641 -67.064 -21.1443 83.9286 245.641 83.9286 29.1668 GPRESSURE: 330000 95.139 -12.4761 214.54 -45.52 41.8145 11.3256 141.124 29.6504 71.5584 PRESSAVG: 330000 39.6148 -76.3266 -1.5476 -76.3266 -40.9803 21.6045 -1.54761 21.6045 31.4647 GPRESSAVG: 330000 39.3438 -77.1464 -3.49312 -74.2132 -40.4027 22.1638 0.761734 21.1138 31.3121 TIMING: 330000 CPU: 1038.16, 0.00313973/step Wall: 1038.16, 0.00313973/step, 4.07293 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: 330000 3958.5601 20364.6857 14538.0979 236.9946 -203309.7110 2635.8574 0.0000 0.0000 52017.2877 -109558.2276 298.9441 -161575.5153 -109193.4239 298.6084 36.9869 69.5039 762501.8967 10.0331 10.0844 PRESSURE: 330200 54.1356 2.72229 -103.133 2.72214 -64.8323 -89.4899 -103.133 -89.4906 53.6924 GPRESSURE: 330200 62.2106 -45.5382 -120.45 -74.8635 -55.035 -70.8236 -63.581 -102.348 112.488 PRESSAVG: 330200 9.63364 -47.7195 15.7586 -47.7195 -16.6448 -0.481821 15.7587 -0.481897 -5.45617 GPRESSAVG: 330200 9.75728 -47.9239 18.426 -48.8161 -15.8185 -0.784112 11.7502 -1.02553 -6.66034 TIMING: 330200 CPU: 1038.79, 0.00314035/step Wall: 1038.79, 0.00314035/step, 4.07356 hours remaining, 234.792969 MB of memory in use. ENERGY: 330200 3863.6370 20447.6135 14518.0048 243.3125 -203276.0450 2652.3566 0.0000 0.0000 52075.0514 -109476.0693 299.2760 -161551.1207 -109103.8219 298.9890 14.3319 39.8877 763100.0741 -4.1558 -4.2405 PRESSURE: 330400 199.287 -211.34 280.511 -211.34 31.9146 -267.025 280.511 -267.027 210.441 GPRESSURE: 330400 191.577 -210.145 256.262 -167.586 108.628 -242.956 282.69 -186.289 241.599 PRESSAVG: 330400 1.5901 -44.1261 41.8289 -44.1262 16.8175 6.68812 41.8289 6.6881 -3.16732 GPRESSAVG: 330400 1.4552 -45.0665 43.0229 -42.8439 16.3622 6.68305 44.1513 6.41221 -2.72074 TIMING: 330400 CPU: 1039.42, 0.00313499/step Wall: 1039.42, 0.00313499/step, 4.06643 hours remaining, 234.792969 MB of memory in use. ENERGY: 330400 3888.2670 20408.2524 14459.2630 224.8957 -203503.3104 2926.3828 0.0000 0.0000 52120.1342 -109476.1153 299.5351 -161596.2495 -109121.6668 299.1168 147.2145 180.6011 763843.9305 5.0801 5.0322 PRESSURE: 330600 143.626 -75.8567 32.7923 -75.8571 179.562 -100.631 32.7929 -100.63 227.169 GPRESSURE: 330600 173.221 -47.16 -34.2362 -17.2567 144.524 -90.7694 19.1985 -119.181 298.856 PRESSAVG: 330600 -33.6676 0.472929 59.8285 0.472894 28.8307 -19.9697 59.8284 -19.9696 -2.10084 GPRESSAVG: 330600 -34.5363 0.851381 58.0039 -0.534551 28.4002 -18.7626 58.644 -20.7436 -0.910716 TIMING: 330600 CPU: 1040.04, 0.0031419/step Wall: 1040.04, 0.0031419/step, 4.07522 hours remaining, 234.792969 MB of memory in use. ENERGY: 330600 3983.2478 20375.9067 14526.1644 249.3814 -202950.2425 2561.5586 0.0000 0.0000 52027.9498 -109226.0338 299.0053 -161253.9837 -108862.4740 299.0155 183.4522 205.5337 763598.6177 -2.3126 -2.3489 PRESSURE: 330800 -58.1967 -72.1568 151.861 -72.1573 268.179 61.9465 151.86 61.9467 325.765 GPRESSURE: 330800 -54.4251 -125.291 147.59 -85.4641 338.475 55.5878 208.867 38.9825 345.404 PRESSAVG: 330800 35.3758 9.70867 45.2964 9.70876 -51.7555 5.80073 45.2963 5.80076 -16.9986 GPRESSAVG: 330800 37.3915 10.2909 45.1973 8.72055 -52.9908 4.75333 44.8093 8.15813 -18.0031 TIMING: 330800 CPU: 1040.68, 0.00317325/step Wall: 1040.68, 0.00317325/step, 4.1157 hours remaining, 234.792969 MB of memory in use. ENERGY: 330800 3909.9539 20466.7287 14525.4358 245.8684 -203003.4417 2715.1696 0.0000 0.0000 51880.5371 -109259.7481 298.1582 -161140.2853 -108909.3332 298.8688 178.5823 209.8179 764598.2793 -11.1261 -11.2008 PRESSURE: 331000 -44.2742 14.8468 17.3759 14.8462 -131.462 -123.734 17.3759 -123.735 -89.5076 GPRESSURE: 331000 -24.4146 21.7382 75.8731 0.291972 -83.4126 -127.321 26.1555 -96.9523 -62.1293 PRESSAVG: 331000 11.8697 -25.8774 21.9145 -25.8775 -73.9267 -3.96706 21.9145 -3.9672 -1.90639 GPRESSAVG: 331000 10.0191 -26.5925 23.557 -25.0358 -71.9528 -5.55513 22.7186 -6.31376 -1.37426 TIMING: 331000 CPU: 1041.31, 0.00316498/step Wall: 1041.31, 0.00316498/step, 4.1048 hours remaining, 234.792969 MB of memory in use. ENERGY: 331000 4057.0455 20429.2498 14552.1110 239.6714 -203495.4628 2943.7207 0.0000 0.0000 52301.0929 -108972.5716 300.5751 -161273.6646 -108617.7401 299.3102 -88.4145 -56.6522 763858.4231 -21.3211 -21.1026 PRESSURE: 331200 -204.549 -121.873 99.8909 -121.873 -371.875 47.9302 99.8921 47.9304 -14.183 GPRESSURE: 331200 -71.7955 -26.9497 38.0163 -143.443 -385.178 45.5995 228.055 20.97 -51.4789 PRESSAVG: 331200 51.3593 -22.9969 31.0718 -22.9969 -50.6175 23.3808 31.0718 23.3807 -3.28697 GPRESSAVG: 331200 52.2427 -22.4902 29.2184 -23.9848 -51.2465 24.4088 31.9468 23.752 -4.28638 TIMING: 331200 CPU: 1041.94, 0.0031512/step Wall: 1041.94, 0.0031512/step, 4.08676 hours remaining, 234.792969 MB of memory in use. ENERGY: 331200 4035.8571 20515.2644 14517.6103 220.9885 -202932.0602 2311.4442 0.0000 0.0000 52161.6840 -109169.2117 299.7739 -161330.8957 -108805.2106 299.6732 -196.8689 -169.4842 764163.8482 -0.8484 -1.0967 PRESSURE: 331400 40.3829 -58.8667 344.015 -58.8667 322.285 -116.138 344.014 -116.139 101.769 GPRESSURE: 331400 99.8236 -21.5947 391.201 5.16483 319.482 -129.992 363.7 -115.266 120.735 PRESSAVG: 331400 -52.4075 -36.0833 42.9861 -36.0832 11.4237 31.7175 42.9861 31.7175 -32.8986 GPRESSAVG: 331400 -52.2075 -35.6809 43.248 -33.2745 11.649 32.8206 40.8499 30.074 -33.1469 TIMING: 331400 CPU: 1042.57, 0.00315611/step Wall: 1042.57, 0.00315611/step, 4.09294 hours remaining, 234.792969 MB of memory in use. ENERGY: 331400 3919.1058 20426.1534 14515.0249 242.4352 -203759.2165 2949.1932 0.0000 0.0000 52204.6489 -109502.6551 300.0208 -161707.3040 -109150.5574 299.4575 154.8123 180.0136 762114.5229 -24.6275 -24.5684 PRESSURE: 331600 -174.978 -123.767 41.1055 -123.768 -81.1771 -53.5093 41.1041 -53.509 -124.869 GPRESSURE: 331600 -116.324 -58.479 13.0545 -65.2964 -79.363 -96.1115 12.5021 -73.1027 -100.779 PRESSAVG: 331600 4.981 11.0805 27.7863 11.0805 32.2818 24.6927 27.7863 24.6926 1.72307 GPRESSAVG: 331600 6.14177 12.7042 28.672 9.78359 31.5322 23.367 26.7345 27.9082 1.68049 TIMING: 331600 CPU: 1043.2, 0.00315479/step Wall: 1043.2, 0.00315479/step, 4.09107 hours remaining, 234.792969 MB of memory in use. ENERGY: 331600 4011.0207 20301.6389 14496.6902 223.3166 -203082.1198 2644.9195 0.0000 0.0000 51997.0568 -109407.4773 298.8278 -161404.5340 -109042.8436 298.8700 -127.0081 -98.8218 762088.9966 12.9953 13.1181 PRESSURE: 331800 -78.7583 141.063 -50.7914 141.063 189.226 63.1893 -50.792 63.1904 41.503 GPRESSURE: 331800 -77.881 43.1932 13.6093 112.734 221.753 33.4563 -40.7969 101.728 92.1254 PRESSAVG: 331800 -37.361 26.7115 9.91971 26.7115 31.1291 48.4548 9.9197 48.4548 -2.94907 GPRESSAVG: 331800 -38.2772 25.2359 9.31474 26.0416 31.5901 48.7325 10.7467 46.6736 -3.10514 TIMING: 331800 CPU: 1043.83, 0.00315022/step Wall: 1043.83, 0.00315022/step, 4.08496 hours remaining, 234.792969 MB of memory in use. ENERGY: 331800 3995.5662 20475.9964 14428.0675 228.5699 -202939.5244 2274.3050 0.0000 0.0000 51962.6339 -109574.3855 298.6300 -161537.0194 -109216.5822 299.2395 50.6570 78.6657 763264.4055 -3.0603 -3.2641 PRESSURE: 332000 358.297 29.7796 -290.954 29.779 265.812 260.667 -290.954 260.667 231.088 GPRESSURE: 332000 407.487 -26.8272 -307.063 18.5896 300.247 271.545 -408.408 303.078 228.985 PRESSAVG: 332000 -21.8693 -22.838 18.6291 -22.8379 51.5899 41.4863 18.6291 41.4863 6.7656 GPRESSAVG: 332000 -22.0269 -23.1009 20.1562 -24.1077 50.9305 43.4223 16.9134 40.8716 7.48892 TIMING: 332000 CPU: 1044.47, 0.00316735/step Wall: 1044.47, 0.00316735/step, 4.107 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: 332000 3947.6991 20218.6928 14482.7459 269.6648 -203669.3839 2801.1518 0.0000 0.0000 52107.0834 -109842.3461 299.4601 -161949.4295 -109480.6530 298.3185 285.0656 312.2396 759448.1088 12.1621 12.1308 PRESSURE: 332200 -88.9873 -75.51 99.7348 -75.5092 -284.465 135.517 99.735 135.516 29.9935 GPRESSURE: 332200 -110.908 85.8351 116.507 -75.6274 -184.503 60.0489 8.37977 94.0015 50.7362 PRESSAVG: 332200 18.264 -2.2569 -3.47018 -2.25687 -38.0826 60.7193 -3.47028 60.7193 2.26081 GPRESSAVG: 332200 18.4899 -2.0359 -5.00788 -0.645738 -36.8717 58.4086 -1.98061 61.7127 1.60044 TIMING: 332200 CPU: 1045.1, 0.00315635/step Wall: 1045.1, 0.00315635/step, 4.09256 hours remaining, 234.792969 MB of memory in use. ENERGY: 332200 3964.5907 20450.0610 14466.0435 242.1146 -203321.8238 2576.4757 0.0000 0.0000 51625.2579 -109997.2805 296.6911 -161622.5384 -109646.5714 297.9957 -114.4862 -81.5583 762103.8781 -5.8526 -5.5938 LDB: ============= START OF LOAD BALANCING ============== 1057.55 LDB: ============== END OF LOAD BALANCING =============== 1057.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1057.55 LDB: ============= START OF LOAD BALANCING ============== 1057.87 LDB: Largest compute 7060 load 0.035317 is 18.1% of average load 0.194872 LDB: Average compute 0.004376 is 2.2% of average load 0.194872 LDB: TIME 1057.88 LOAD: AVG 0.194872 MAX 0.21381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 1057.88 LOAD: AVG 0.194872 MAX 0.21381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: TIME 1057.88 LOAD: AVG 0.194872 MAX 0.21381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.793 MB LDB: ============== END OF LOAD BALANCING =============== 1057.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1057.88 PRESSURE: 332400 -19.9737 -104.887 -88.9405 -104.886 57.9446 -42.7142 -88.942 -42.7138 424.103 GPRESSURE: 332400 41.5232 -101.196 -169.485 -4.17609 66.9294 -127.868 -28.8141 50.3274 429.788 PRESSAVG: 332400 -9.01173 21.6322 11.8481 21.6322 -46.3119 0.635127 11.8481 0.635178 -1.30528 GPRESSAVG: 332400 -9.18482 20.5764 12.2777 21.1242 -46.8496 2.95185 11.4936 0.366974 -0.602839 TIMING: 332400 CPU: 1045.75, 0.00323327/step Wall: 1045.75, 0.00323327/step, 4.19211 hours remaining, 234.281250 MB of memory in use. ENERGY: 332400 3897.7177 20475.6075 14503.1575 229.2552 -203591.7306 2734.4866 0.0000 0.0000 51675.4999 -110076.0062 296.9798 -161751.5061 -109720.1362 297.6160 154.0248 179.4134 761154.0902 -18.8763 -18.8791 PRESSURE: 332600 -196.145 57.8925 169.382 57.8917 -240.124 144.93 169.382 144.931 -74.806 GPRESSURE: 332600 -203.825 29.4014 203.038 30.1628 -210.659 149.791 64.205 146.78 -16.835 PRESSAVG: 332600 19.1428 3.09045 11.428 3.09044 -4.69196 38.0885 11.428 38.0885 5.72451 GPRESSAVG: 332600 19.4218 5.44462 10.082 1.19074 -4.19678 35.506 12.7614 38.7572 5.08067 TIMING: 332600 CPU: 1046.38, 0.00315141/step Wall: 1046.38, 0.00315141/step, 4.0858 hours remaining, 234.281250 MB of memory in use. ENERGY: 332600 3883.1413 20484.2306 14517.6081 254.4663 -203549.4960 2616.2915 0.0000 0.0000 51826.8448 -109966.9134 297.8496 -161793.7582 -109606.9408 298.1933 -170.3585 -143.7728 761476.8311 6.7251 6.7686 PRESSURE: 332800 -116.978 -68.6542 -25.4406 -68.6537 -287.184 -326.771 -25.4409 -326.769 -155.695 GPRESSURE: 332800 -118.505 -104.447 18.7609 -134.7 -235.651 -248.186 -5.70066 -223.804 -108.931 PRESSAVG: 332800 -4.79707 15.1787 18.5745 15.1787 -15.2691 61.5565 18.5745 61.5565 25.4423 GPRESSAVG: 332800 -3.80425 13.625 19.8352 18.5943 -16.0295 61.6908 17.7769 62.9143 25.639 TIMING: 332800 CPU: 1047.01, 0.00315773/step Wall: 1047.01, 0.00315773/step, 4.09382 hours remaining, 234.281250 MB of memory in use. ENERGY: 332800 4010.1357 20648.7512 14571.6649 249.2806 -203523.7557 2476.6304 0.0000 0.0000 51847.5284 -109719.7646 297.9685 -161567.2930 -109359.3846 298.2273 -186.6189 -154.3625 760838.1614 1.7920 1.9351 PRESSURE: 333000 -336.474 -126.448 -200.576 -126.447 -165.796 -10.9019 -200.576 -10.9015 -221.364 GPRESSURE: 333000 -205.555 -83.9982 -178.686 -223.084 -208.357 -11.3247 -132.278 17.974 -217.715 PRESSAVG: 333000 -3.63584 -20.3639 12.7322 -20.3639 44.537 27.6078 12.7323 27.6078 36.9224 GPRESSAVG: 333000 -3.71795 -20.2818 13.8405 -23.8498 45.298 28.3202 13.0859 27.0429 36.2963 TIMING: 333000 CPU: 1047.64, 0.00314887/step Wall: 1047.64, 0.00314887/step, 4.08216 hours remaining, 234.281250 MB of memory in use. ENERGY: 333000 4106.6387 20466.6299 14501.0897 260.9630 -203460.2035 2673.5667 0.0000 0.0000 51643.6451 -109807.6704 296.7967 -161451.3155 -109454.3482 298.7821 -241.2113 -210.5425 762087.3976 25.9412 25.9588 PRESSURE: 333200 -90.8908 135.876 -96.4629 135.876 -17.4898 184.72 -96.4631 184.72 -184.484 GPRESSURE: 333200 22.2478 197.147 -73.6043 183.266 -57.3305 156.141 -91.5264 138.536 -139.423 PRESSAVG: 333200 -36.3202 5.10643 -2.44054 5.10642 25.1532 8.27269 -2.44053 8.27266 -9.28977 GPRESSAVG: 333200 -38.7174 4.41727 -2.48608 7.81497 26.2765 7.10868 -1.58995 6.61734 -7.90651 TIMING: 333200 CPU: 1048.27, 0.00313821/step Wall: 1048.27, 0.00313821/step, 4.06817 hours remaining, 234.281250 MB of memory in use. ENERGY: 333200 4029.6427 20589.4688 14456.9957 259.4368 -203702.6431 2671.0956 0.0000 0.0000 51778.3122 -109917.6913 297.5707 -161696.0035 -109569.6540 298.4382 -97.6214 -58.1687 761271.6220 -6.8189 -6.7825 PRESSURE: 333400 488.019 80.1555 107.191 80.155 -65.0121 261.763 107.191 261.764 38.3666 GPRESSURE: 333400 481.799 104.977 133.947 -3.90346 -9.79104 258.098 18.6414 268.539 74.2645 PRESSAVG: 333400 -22.5417 -23.3578 5.03879 -23.3578 -27.8637 -16.2509 5.03887 -16.2509 -3.88819 GPRESSAVG: 333400 -20.4229 -24.0993 3.88857 -22.529 -29.9733 -16.3435 4.74525 -15.223 -3.80287 TIMING: 333400 CPU: 1048.9, 0.00317067/step Wall: 1048.9, 0.00317067/step, 4.11007 hours remaining, 234.281250 MB of memory in use. ENERGY: 333400 3957.7682 20392.6541 14483.1674 267.1951 -203580.6599 2521.2590 0.0000 0.0000 52141.9684 -109816.6476 299.6606 -161958.6160 -109449.9532 298.6817 153.7913 182.0908 758817.0849 -18.0979 -18.0664 PRESSURE: 333600 47.4011 -65.507 -12.9026 -65.507 22.7534 80.9933 -12.9021 80.9949 -60.5766 GPRESSURE: 333600 50.3188 -152.62 -13.5768 1.85954 85.7039 156.265 -11.4492 -65.8356 -54.5199 PRESSAVG: 333600 46.3354 -41.6672 -12.8858 -41.6672 -27.7887 -6.51546 -12.8858 -6.51542 19.5123 GPRESSAVG: 333600 45.7716 -41.453 -13.1575 -40.8293 -27.0127 -4.59664 -11.9675 -7.1938 19.4743 TIMING: 333600 CPU: 1049.53, 0.00315501/step Wall: 1049.53, 0.00315501/step, 4.0896 hours remaining, 234.281250 MB of memory in use. ENERGY: 333600 3981.7817 20531.1936 14488.4105 257.9237 -203697.2444 2887.2438 0.0000 0.0000 51873.8337 -109676.8575 298.1196 -161550.6911 -109321.0868 298.8266 3.1927 27.1676 762027.4291 12.6863 12.7444 PRESSURE: 333800 -69.0583 -98.3651 -118.093 -98.3647 -187.235 72.0923 -118.093 72.0917 11.091 GPRESSURE: 333800 -23.9548 50.6504 -185.559 -136.745 -136.727 13.4718 -86.97 177.985 -8.44757 PRESSAVG: 333800 37.871 -29.6008 26.5009 -29.6009 -63.0975 23.1927 26.5009 23.1928 -3.62569 GPRESSAVG: 333800 38.3664 -27.545 26.1304 -31.154 -63.5675 24.1899 25.6084 23.5629 -3.92645 TIMING: 333800 CPU: 1050.16, 0.00314786/step Wall: 1050.16, 0.00314786/step, 4.08016 hours remaining, 234.281250 MB of memory in use. ENERGY: 333800 3959.8830 20420.4169 14448.9434 247.6203 -203370.7604 2370.8035 0.0000 0.0000 51960.0068 -109963.0865 298.6149 -161923.0933 -109583.9497 298.1750 -81.7341 -56.3765 761840.4725 -9.6174 -9.7092 PRESSURE: 334000 88.2009 -262.426 -63.6206 -262.425 -60.1377 121.773 -63.6201 121.774 -160.516 GPRESSURE: 334000 140.997 -333.642 -75.9537 -290.646 65.0738 7.39007 -94.2102 112.729 -252.416 PRESSAVG: 334000 29.7888 -18.5444 10.5377 -18.5444 10.9948 -63.1715 10.5377 -63.1714 -19.3848 GPRESSAVG: 334000 30.1692 -19.4343 11.5357 -18.6517 11.4555 -64.3425 10.4581 -62.3519 -20.1953 TIMING: 334000 CPU: 1050.79, 0.00314917/step Wall: 1050.79, 0.00314917/step, 4.08168 hours remaining, 234.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 334000 3967.3485 20379.0956 14420.9049 253.5931 -203287.8052 2404.9658 0.0000 0.0000 51803.3286 -110058.5687 297.7144 -161861.8973 -109696.2699 297.8435 -44.1508 -15.4485 762384.1408 7.1330 7.1431 PRESSURE: 334200 40.4419 8.65759 -72.9329 8.65829 -112.51 -84.9242 -72.9335 -84.9232 -103.353 GPRESSURE: 334200 -38.8256 43.5033 -119.942 3.77256 7.89899 -112.422 10.2833 -36.8255 -72.4087 PRESSAVG: 334200 7.80121 -48.1391 18.4991 -48.139 -9.75853 -14.5298 18.4991 -14.5297 13.1294 GPRESSAVG: 334200 6.89551 -48.5004 17.7645 -47.7659 -10.2028 -14.3128 19.767 -16.4027 13.9839 TIMING: 334200 CPU: 1051.42, 0.00313212/step Wall: 1051.42, 0.00313212/step, 4.05941 hours remaining, 234.281250 MB of memory in use. ENERGY: 334200 3930.7558 20622.2233 14464.2633 247.7293 -203692.9986 2556.6803 0.0000 0.0000 51849.8605 -110021.4862 297.9819 -161871.3467 -109667.8189 297.7432 -58.4736 -34.4451 761261.3995 3.7240 3.5589 PRESSURE: 334400 96.8542 67.145 -226.635 67.1445 65.8098 -37.8402 -226.635 -37.8402 482.824 GPRESSURE: 334400 203.137 89.9258 -255.255 -2.396 42.7537 -102.617 -189.295 -59.9376 469.03 PRESSAVG: 334400 38.4415 14.8201 15.4768 14.8201 -22.711 -40.9422 15.4768 -40.9421 26.6479 GPRESSAVG: 334400 39.3856 16.4598 14.5072 13.2706 -22.6328 -40.02 13.0564 -39.788 25.2618 TIMING: 334400 CPU: 1052.05, 0.00314416/step Wall: 1052.05, 0.00314416/step, 4.07483 hours remaining, 234.281250 MB of memory in use. ENERGY: 334400 3953.7017 20342.3216 14540.3463 240.4770 -203706.4925 2708.1673 0.0000 0.0000 51783.0286 -110138.4499 297.5978 -161921.4785 -109781.9671 297.7960 215.1627 238.3070 760615.4215 14.1261 14.0048 PRESSURE: 334600 -254.42 287.926 -45.4524 287.926 204.889 -219.543 -45.4531 -219.544 -323.865 GPRESSURE: 334600 -183.19 149.524 -25.2711 211.088 178.102 -260.765 -102.217 -149.519 -280.326 PRESSAVG: 334600 -4.45511 -70.551 -73.3506 -70.5511 -7.42732 18.2791 -73.3507 18.2792 3.95159 GPRESSAVG: 334600 -4.65337 -73.3816 -71.2568 -68.3094 -8.00921 16.1044 -73.1837 18.9894 5.28205 TIMING: 334600 CPU: 1052.67, 0.0031396/step Wall: 1052.67, 0.00313961/step, 4.06875 hours remaining, 234.281250 MB of memory in use. ENERGY: 334600 3859.1481 20446.7945 14418.8008 254.8196 -203774.3092 2759.4735 0.0000 0.0000 51874.0128 -110161.2601 298.1207 -162035.2728 -109792.6848 297.4315 -124.4653 -95.1380 761191.4078 -2.6436 -2.4602 PRESSURE: 334800 296.512 93.6857 -160.787 93.6862 215.552 -53.0212 -160.787 -53.0209 314.554 GPRESSURE: 334800 335.641 74.7269 -153.338 -22.7136 253.555 -52.8409 -248.407 -96.8986 299.365 PRESSAVG: 334800 26.2872 -41.3999 -53.3887 -41.3999 -14.8967 0.968921 -53.3887 0.9689 3.75298 GPRESSAVG: 334800 25.217 -39.3379 -54.7428 -43.3487 -13.9764 1.47518 -52.642 0.398662 3.5754 TIMING: 334800 CPU: 1053.31, 0.00316263/step Wall: 1053.31, 0.00316263/step, 4.09841 hours remaining, 234.281250 MB of memory in use. ENERGY: 334800 3946.0191 20377.6880 14466.4779 252.0439 -203930.9730 2761.2439 0.0000 0.0000 51890.6628 -110236.8376 298.2164 -162127.5003 -109879.2497 297.4015 275.5394 296.1871 760665.1942 5.0478 4.9387 PRESSURE: 335000 -75.4363 -172.067 24.546 -172.067 14.492 -127.5 24.546 -127.499 362.892 GPRESSURE: 335000 6.89183 -156.979 -48.6195 -123.274 120.566 -136.82 -11.1152 -15.5335 257.248 PRESSAVG: 335000 51.8527 14.6204 -22.0126 14.6204 4.41085 23.959 -22.0127 23.959 -9.11127 GPRESSAVG: 335000 50.8697 14.8863 -22.959 16.748 4.96687 24.5226 -21.3201 23.5282 -8.86938 TIMING: 335000 CPU: 1053.94, 0.00315787/step Wall: 1053.94, 0.00315787/step, 4.09208 hours remaining, 234.281250 MB of memory in use. ENERGY: 335000 3895.7966 20307.5291 14522.8427 250.3732 -203326.1063 2409.6692 0.0000 0.0000 51864.0118 -110075.8836 298.0632 -161939.8954 -109720.7457 297.6504 100.6493 128.2353 761395.7818 15.7174 15.6557 PRESSURE: 335200 -60.0034 41.6849 -8.05443 41.6846 -41.8646 -235.378 -8.05413 -235.377 -507.218 GPRESSURE: 335200 -38.2367 148.89 39.5785 9.54775 20.82 -174.795 -124.065 -152.204 -488.826 PRESSAVG: 335200 -1.64114 4.65413 -17.6113 4.65402 9.20588 -66.2024 -17.6113 -66.2024 10.089 GPRESSAVG: 335200 -2.00822 2.82443 -15.9108 4.17014 9.33699 -65.7814 -19.3862 -64.3152 9.93292 TIMING: 335200 CPU: 1054.57, 0.00316383/step Wall: 1054.57, 0.00316383/step, 4.09962 hours remaining, 234.281250 MB of memory in use. ENERGY: 335200 3970.0526 20425.4059 14452.9638 256.2254 -203675.0518 2772.0315 0.0000 0.0000 51943.1039 -109855.2688 298.5177 -161798.3727 -109489.5077 298.2679 -203.0285 -168.7475 760571.7917 5.8846 5.7539 PRESSURE: 335400 341.984 -40.0589 244.54 -40.0596 53.7097 96.504 244.54 96.5047 122.487 GPRESSURE: 335400 348.523 -21.4771 245.423 -2.10387 102.954 53.75 170.344 100.769 149.609 PRESSAVG: 335400 -29.6253 -1.23336 -30.1795 -1.23335 2.83427 -24.9915 -30.1796 -24.9915 -10.7834 GPRESSAVG: 335400 -28.9209 0.364048 -30.4399 -1.37106 2.29395 -26.7216 -28.2128 -26.9896 -10.2788 TIMING: 335400 CPU: 1055.2, 0.00315611/step Wall: 1055.2, 0.00315611/step, 4.08945 hours remaining, 234.281250 MB of memory in use. ENERGY: 335400 3990.4724 20519.5091 14462.9039 238.7981 -203237.8793 2477.0478 0.0000 0.0000 51862.4045 -109686.7435 298.0540 -161549.1480 -109327.2309 298.6217 172.7270 200.3621 762720.9461 -12.5248 -12.3019 PRESSURE: 335600 64.7476 37.5453 72.0789 37.5459 32.8638 59.4287 72.0791 59.429 -150.989 GPRESSURE: 335600 47.6597 -26.9293 73.547 125.374 30.292 49.6191 -35.1838 -70.4042 -38.282 PRESSAVG: 335600 48.5926 -34.0616 5.65352 -34.0615 -40.2298 -64.2947 5.65351 -64.2947 10.5242 GPRESSAVG: 335600 48.3898 -34.7497 6.4511 -32.6786 -39.3699 -62.7638 4.72431 -63.8096 9.85453 TIMING: 335600 CPU: 1055.83, 0.00314613/step Wall: 1055.83, 0.00314613/step, 4.07633 hours remaining, 234.281250 MB of memory in use. ENERGY: 335600 3977.3816 20513.1048 14417.7097 254.6868 -203170.2228 2577.0333 0.0000 0.0000 51902.4459 -109527.8607 298.2841 -161430.3066 -109175.2333 298.8747 -17.7924 13.2232 762764.7959 6.2957 6.2915 PRESSURE: 335800 54.8748 8.02928 -0.847615 8.02855 160.926 -27.4518 -0.847567 -27.4519 -432.86 GPRESSURE: 335800 36.5318 32.2357 -19.8462 2.11495 178.971 -2.5165 -78.428 -28.2539 -358.146 PRESSAVG: 335800 17.2751 9.33332 -54.1419 9.33334 17.406 -65.8133 -54.1419 -65.8134 0.323721 GPRESSAVG: 335800 18.1154 9.02266 -54.4454 8.14324 16.6988 -65.3026 -55.8481 -65.6891 -0.0886951 TIMING: 335800 CPU: 1056.46, 0.00315783/step Wall: 1056.46, 0.00315783/step, 4.09132 hours remaining, 234.281250 MB of memory in use. ENERGY: 335800 3939.7634 20496.4082 14463.6180 255.9519 -203205.1451 2478.3920 0.0000 0.0000 52020.2613 -109550.7503 298.9612 -161571.0116 -109197.8820 298.9468 -72.3530 -47.5478 762554.3731 11.6683 11.5752 PRESSURE: 336000 -17.257 -116.476 90.1163 -116.477 142.11 -52.6789 90.1165 -52.6787 344.869 GPRESSURE: 336000 129.365 -159.085 150.154 -26.9785 81.9475 -84.4395 141.559 -11.1003 347.413 PRESSAVG: 336000 -16.022 -38.6444 -24.1971 -38.6445 -32.8687 -50.876 -24.197 -50.876 6.60751 GPRESSAVG: 336000 -18.0613 -38.6598 -24.5838 -37.4704 -32.163 -51.8185 -20.8849 -49.5872 7.61224 TIMING: 336000 CPU: 1057.09, 0.00315275/step Wall: 1057.09, 0.00315275/step, 4.08456 hours remaining, 234.281250 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: 336000 3906.2404 20290.2908 14470.7513 236.5636 -202974.5120 2543.9141 0.0000 0.0000 51964.8954 -109561.8563 298.6430 -161526.7517 -109200.6318 298.6903 156.5739 186.2421 761655.3250 -14.0944 -14.2040 PRESSURE: 336200 -12.4305 -180.863 32.6586 -180.864 -287.992 252.415 32.6577 252.416 -235.696 GPRESSURE: 336200 60.2996 -158.677 42.7104 -127.553 -337.27 295.992 38.902 155.532 -161.416 PRESSAVG: 336200 2.82673 -71.3013 43.1343 -71.3013 -8.41056 -43.2996 43.1343 -43.2996 6.34004 GPRESSAVG: 336200 4.7385 -71.3569 41.5706 -73.1649 -9.73959 -43.3173 43.1222 -44.3071 5.74706 TIMING: 336200 CPU: 1057.72, 0.00314628/step Wall: 1057.72, 0.00314628/step, 4.07601 hours remaining, 234.281250 MB of memory in use. ENERGY: 336200 4089.8393 20376.6583 14476.1606 244.3212 -203215.5632 2452.4238 0.0000 0.0000 52154.3164 -109421.8435 299.7316 -161576.1599 -109043.1506 299.1404 -178.7061 -146.1288 761011.4231 0.2521 0.2487 LDB: ============= START OF LOAD BALANCING ============== 1070.17 LDB: ============== END OF LOAD BALANCING =============== 1070.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1070.17 LDB: ============= START OF LOAD BALANCING ============== 1070.49 LDB: Largest compute 7077 load 0.035408 is 18.2% of average load 0.194842 LDB: Average compute 0.004394 is 2.3% of average load 0.194842 LDB: TIME 1070.49 LOAD: AVG 0.194842 MAX 0.214459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.562 MB LDB: TIME 1070.49 LOAD: AVG 0.194842 MAX 0.214459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: TIME 1070.49 LOAD: AVG 0.194842 MAX 0.214459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: ============== END OF LOAD BALANCING =============== 1070.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1070.5 PRESSURE: 336400 -15.29 -253.724 147.469 -253.722 184.538 142.046 147.468 142.046 -305.365 GPRESSURE: 336400 11.8456 -299.401 193.817 -281.217 240.255 36.6404 66.0219 179.823 -289.845 PRESSAVG: 336400 -11.9381 -35.1738 9.26394 -35.1737 0.606223 -25.6626 9.26396 -25.6625 25.5167 GPRESSAVG: 336400 -12.7273 -36.4587 13.7094 -33.2967 0.469253 -26.5315 6.75942 -24.8911 26.3639 TIMING: 336400 CPU: 1058.36, 0.00319095/step Wall: 1058.36, 0.00319095/step, 4.13369 hours remaining, 234.589844 MB of memory in use. ENERGY: 336400 4006.1268 20417.6412 14448.2908 219.8853 -203258.7274 2469.3934 0.0000 0.0000 52000.2556 -109697.1343 298.8462 -161697.3899 -109338.4737 298.9330 -45.3724 -12.5816 760678.7294 4.7283 4.7020 PRESSURE: 336600 -306.656 11.6155 -36.7104 11.6154 -275.074 28.8927 -36.7103 28.8925 -94.6701 GPRESSURE: 336600 -295.03 78.9137 -95.1095 -25.7291 -148.718 -56.0124 -46.59 161.501 -145.333 PRESSAVG: 336600 26.2316 9.05587 -4.81307 9.05586 -21.7235 -0.133497 -4.81305 -0.133406 9.13597 GPRESSAVG: 336600 24.3024 12.0508 -7.04961 7.96314 -19.8177 0.324431 -5.68872 -1.03806 8.65216 TIMING: 336600 CPU: 1058.99, 0.00313824/step Wall: 1058.99, 0.00313824/step, 4.06524 hours remaining, 234.792969 MB of memory in use. ENERGY: 336600 3987.1213 20343.4437 14520.6648 249.7580 -203326.0448 2475.4904 0.0000 0.0000 51838.8005 -109910.7660 297.9183 -161749.5665 -109551.6860 298.7009 -225.4666 -196.3604 761398.1576 4.5480 4.3790 PRESSURE: 336800 168.522 97.0633 -56.11 97.0628 -134.281 -122.382 -56.11 -122.383 -49.4395 GPRESSURE: 336800 224.079 93.724 5.27434 59.287 -26.5584 -69.7309 -26.8106 -229.594 -140.128 PRESSAVG: 336800 -26.9597 -7.21228 -18.1021 -7.21227 -0.672635 -0.278319 -18.1022 -0.278342 -3.04589 GPRESSAVG: 336800 -24.931 -9.34933 -19.6491 -8.28142 -2.31385 -0.483219 -17.3721 -3.7215 -3.69894 TIMING: 336800 CPU: 1059.61, 0.00312406/step Wall: 1059.61, 0.00312406/step, 4.0467 hours remaining, 234.792969 MB of memory in use. ENERGY: 336800 3939.8832 20504.3614 14427.6123 222.5916 -202849.6335 2123.5708 0.0000 0.0000 52035.4945 -109596.1197 299.0487 -161631.6142 -109228.6785 298.6786 -5.0660 19.1306 761629.6467 -10.2261 -10.3146 PRESSURE: 337000 -224.756 -1.72921 49.0867 -1.72971 65.6195 124.195 49.0868 124.196 259.609 GPRESSURE: 337000 -114.898 -0.568584 53.3939 101.795 85.6824 117.858 158.728 132.426 202.01 PRESSAVG: 337000 -49.2077 -12.2338 4.33612 -12.2338 28.4362 -17.4031 4.33613 -17.4031 20.1842 GPRESSAVG: 337000 -49.1646 -11.6274 5.91545 -12.4418 28.5396 -16.4859 5.60266 -16.0892 20.3405 TIMING: 337000 CPU: 1060.24, 0.00313319/step Wall: 1060.24, 0.00313319/step, 4.05836 hours remaining, 234.792969 MB of memory in use. ENERGY: 337000 3962.4065 20341.6046 14433.3659 257.8222 -203221.5585 2466.4782 0.0000 0.0000 52007.1529 -109752.7282 298.8858 -161759.8811 -109376.7882 298.7927 33.4907 57.5983 762430.4514 -0.1958 -0.0948 PRESSURE: 337200 115.71 -346.18 29.3631 -346.18 -38.6022 2.8218 29.3621 2.82187 65.0604 GPRESSURE: 337200 42.9854 -240.108 51.4769 -368.195 88.9703 15.1671 2.60223 23.2562 91.4987 PRESSAVG: 337200 15.147 -38.2521 20.1169 -38.252 -6.53492 32.8432 20.1168 32.8431 21.0005 GPRESSAVG: 337200 13.9179 -38.4838 19.517 -38.2792 -6.54998 30.4251 19.3829 35.5626 21.5533 TIMING: 337200 CPU: 1060.86, 0.00312359/step Wall: 1060.86, 0.00312359/step, 4.04575 hours remaining, 234.792969 MB of memory in use. ENERGY: 337200 4028.7471 20437.6092 14405.1517 264.8145 -203268.1319 2562.5947 0.0000 0.0000 52120.0869 -109449.1277 299.5349 -161569.2146 -109083.3967 298.9214 47.3895 74.4848 761791.7827 9.8709 9.6404 PRESSURE: 337400 371.114 -139.086 67.4368 -139.087 377.138 77.0553 67.4359 77.0547 235.788 GPRESSURE: 337400 445.294 93.8165 1.54088 -255.393 416.208 142.072 -10.3221 8.49145 209.351 PRESSAVG: 337400 -42.0983 -104.714 18.397 -104.714 -9.66023 31.1952 18.397 31.1952 -19.2194 GPRESSAVG: 337400 -40.9071 -103.385 18.3208 -104.455 -10.7861 34.2433 17.8369 27.9818 -19.2649 TIMING: 337400 CPU: 1061.49, 0.00312857/step Wall: 1061.49, 0.00312857/step, 4.05202 hours remaining, 234.792969 MB of memory in use. ENERGY: 337400 3992.7064 20249.5060 14472.4148 235.5502 -203627.3224 2920.1505 0.0000 0.0000 52227.8389 -109529.1556 300.1541 -161756.9945 -109168.2921 299.1423 328.0133 356.9508 759878.8322 -23.6593 -23.6527 PRESSURE: 337600 -68.0633 12.5871 5.18034 12.5868 -238.775 15.048 5.18047 15.0478 -213.217 GPRESSURE: 337600 -117.736 -117.616 -47.2158 48.5019 -89.7408 23.495 -42.6502 19.4141 -221.779 PRESSAVG: 337600 56.4759 -24.5481 -37.6125 -24.5481 -17.36 -10.631 -37.6124 -10.6309 8.01177 GPRESSAVG: 337600 56.2147 -26.895 -38.1905 -23.2133 -16.2796 -12.0716 -37.0142 -9.12257 7.39776 TIMING: 337600 CPU: 1062.12, 0.00315049/step Wall: 1062.12, 0.00315049/step, 4.08024 hours remaining, 234.792969 MB of memory in use. ENERGY: 337600 3955.6233 20413.3301 14412.1078 224.4077 -203218.7890 2449.9925 0.0000 0.0000 52041.3917 -109721.9357 299.0826 -161763.3275 -109360.5923 299.0304 -173.3517 -143.0850 761646.4275 15.7092 15.7776 PRESSURE: 337800 373.786 47.3043 401.885 47.3052 95.245 -83.4785 401.886 -83.4791 -73.9479 GPRESSURE: 337800 357.914 28.5158 357.876 122.751 131.093 -75.8985 237.625 -27.9819 -39.7885 PRESSAVG: 337800 -39.3916 -53.6999 11.5427 -53.6999 19.9453 10.4378 11.5427 10.4378 4.02268 GPRESSAVG: 337800 -38.9761 -52.8682 11.6385 -54.204 19.8322 11.8056 10.5962 10.2367 3.89609 TIMING: 337800 CPU: 1062.75, 0.00313212/step Wall: 1062.75, 0.00313212/step, 4.05627 hours remaining, 234.792969 MB of memory in use. ENERGY: 337800 3948.3877 20306.1117 14438.8239 248.9439 -203183.5905 2437.7038 0.0000 0.0000 51973.9399 -109829.6796 298.6949 -161803.6195 -109459.1167 298.3953 131.6943 149.7396 761370.1531 -5.1412 -5.0826 PRESSURE: 338000 -37.5274 -9.43506 -33.1229 -9.43566 -45.7009 -18.1676 -33.123 -18.1683 161.816 GPRESSURE: 338000 -18.1836 -57.8355 5.67589 -9.50379 44.1236 25.3777 -130.975 -125.518 148.164 PRESSAVG: 338000 -23.8134 -11.6407 12.943 -11.6408 16.3494 -11.1696 12.943 -11.1697 18.2897 GPRESSAVG: 338000 -24.6434 -12.4308 14.343 -11.2181 16.5047 -11.1749 10.9348 -10.3089 19.045 TIMING: 338000 CPU: 1063.37, 0.00313374/step Wall: 1063.37, 0.00313374/step, 4.05819 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: 338000 3972.2938 20329.6468 14466.5321 245.4007 -203226.1766 2616.2079 0.0000 0.0000 51736.4872 -109859.6081 297.3303 -161596.0953 -109513.7888 298.1297 26.1960 58.0345 761603.1802 3.6086 3.6354 PRESSURE: 338200 -116.717 32.9822 -135.286 32.982 -175.732 84.8179 -135.286 84.8177 -286.374 GPRESSURE: 338200 -81.8296 98.9572 -47.2924 -40.0418 -121.606 67.9446 -171.164 112.15 -299.849 PRESSAVG: 338200 -3.44704 -24.7075 24.9008 -24.7075 30.9221 42.4581 24.9009 42.4581 -4.80862 GPRESSAVG: 338200 -1.63711 -25.199 22.6588 -24.5733 29.3589 40.75 26.3266 40.7415 -4.31555 TIMING: 338200 CPU: 1064, 0.00311551/step Wall: 1064, 0.00311551/step, 4.03441 hours remaining, 234.792969 MB of memory in use. ENERGY: 338200 4062.8809 20548.0278 14450.4865 237.2725 -203522.8532 2544.7200 0.0000 0.0000 51916.0748 -109763.3908 298.3624 -161679.4656 -109415.8386 298.7283 -192.9410 -167.7615 762082.0837 7.5555 7.8021 PRESSURE: 338400 325.701 -21.6544 -115.024 -21.6544 -71.8479 -142.575 -115.024 -142.575 55.5397 GPRESSURE: 338400 249.687 -75.7387 -94.2647 -75.3381 63.7413 -82.0745 91.098 -209.687 87.6224 PRESSAVG: 338400 -10.7807 -37.6333 -18.8681 -37.6333 -20.4377 -8.27551 -18.8682 -8.27559 -15.1274 GPRESSAVG: 338400 -12.6951 -38.0676 -18.9525 -38.2085 -18.7215 -7.44533 -17.8293 -7.25071 -14.9198 TIMING: 338400 CPU: 1064.63, 0.0031558/step Wall: 1064.63, 0.0031558/step, 4.08641 hours remaining, 234.792969 MB of memory in use. ENERGY: 338400 3935.5334 20429.2366 14440.0678 272.7812 -203614.5486 2933.7134 0.0000 0.0000 51894.0038 -109709.2124 298.2356 -161603.2163 -109354.0660 298.6652 103.1309 133.6835 763947.4154 -15.4486 -15.4455 PRESSURE: 338600 -323.803 -101.464 -79.684 -101.464 -424.688 73.3507 -79.6844 73.3502 248.896 GPRESSURE: 338600 -167.804 -113.211 -133.107 -118.415 -432.321 175.922 -116.055 78.692 188.277 PRESSAVG: 338600 31.2588 -18.3984 1.41199 -18.3985 1.39494 11.8077 1.41197 11.8077 24.9938 GPRESSAVG: 338600 32.3851 -16.3814 2.86094 -18.6261 0.541164 12.1214 1.33197 13.4853 24.3686 TIMING: 338600 CPU: 1065.26, 0.00314521/step Wall: 1065.26, 0.00314521/step, 4.07253 hours remaining, 234.792969 MB of memory in use. ENERGY: 338600 3971.2138 20574.5735 14462.9754 245.8105 -203367.6027 2608.5729 0.0000 0.0000 51842.2797 -109662.1769 297.9383 -161504.4566 -109313.4112 298.8806 -166.5317 -137.2829 762853.9300 19.2158 19.0983 PRESSURE: 338800 85.9288 -31.9583 -44.3561 -31.9584 -19.7241 105.868 -44.3557 105.867 -43.8215 GPRESSURE: 338800 58.6778 -141.583 76.9071 -3.03606 37.1268 139.028 -28.2678 143.608 1.24665 PRESSAVG: 338800 74.8402 -18.0828 2.93261 -18.0827 -84.7349 39.9131 2.93262 39.913 -6.15339 GPRESSAVG: 338800 73.5821 -20.0114 2.7488 -17.9606 -83.6796 40.0642 3.00079 39.0128 -6.20521 TIMING: 338800 CPU: 1065.88, 0.0031313/step Wall: 1065.88, 0.0031313/step, 4.05434 hours remaining, 234.792969 MB of memory in use. ENERGY: 338800 3888.6455 20630.7644 14501.1563 258.5603 -203669.2550 2985.5960 0.0000 0.0000 51665.4759 -109739.0565 296.9222 -161404.5324 -109386.1600 298.6912 7.4611 32.3504 761710.6560 -5.3493 -5.4342 PRESSURE: 339000 -266.597 -0.574281 47.8619 -0.573635 -467.839 -186.555 47.8618 -186.555 -312.11 GPRESSURE: 339000 -144.844 -6.54972 63.4773 139.379 -411.306 -237.066 47.858 -298.881 -401.723 PRESSAVG: 339000 3.58343 16.274 19.8692 16.2739 -12.0343 8.04755 19.8693 8.04756 -3.91569 GPRESSAVG: 339000 4.38207 18.0319 20.2336 18.3328 -12.3856 9.05111 19.8511 6.09898 -4.20253 TIMING: 339000 CPU: 1066.51, 0.00313805/step Wall: 1066.51, 0.00313805/step, 4.06291 hours remaining, 234.792969 MB of memory in use. ENERGY: 339000 3959.3160 20499.2903 14462.8619 237.3459 -203008.0823 2166.7506 0.0000 0.0000 51895.4629 -109787.0546 298.2439 -161682.5175 -109430.1982 298.5518 -348.8489 -319.2911 762867.2318 -4.1222 -4.0687 PRESSURE: 339200 -122.239 -124.514 55.0383 -124.514 -52.4016 -76.4482 55.0392 -76.4481 -278.056 GPRESSURE: 339200 -150.251 -195.187 125.455 -157.394 16.8238 -112.73 69.2896 147.685 -230.464 PRESSAVG: 339200 71.9331 10.437 54.9069 10.437 -73.2447 4.88506 54.9069 4.88504 5.51262 GPRESSAVG: 339200 72.6391 10.6226 54.4067 8.09601 -74.6063 4.14472 52.8867 7.07367 6.70864 TIMING: 339200 CPU: 1067.14, 0.00314886/step Wall: 1067.14, 0.00314886/step, 4.07673 hours remaining, 234.792969 MB of memory in use. ENERGY: 339200 3964.4350 20510.6069 14492.5285 238.9685 -203587.1448 2688.4695 0.0000 0.0000 51839.1409 -109852.9955 297.9203 -161692.1364 -109495.2088 297.9327 -150.8989 -121.2971 761270.0803 1.4003 1.5805 PRESSURE: 339400 -351.252 17.7075 -69.5276 17.7077 67.4663 104.068 -69.5272 104.068 -196.82 GPRESSURE: 339400 -291.076 99.2332 -102.254 54.0982 0.231512 84.3347 0.0506839 250.359 -95.3231 PRESSAVG: 339400 -13.091 0.65041 45.4367 0.650418 16.4723 59.9113 45.4367 59.9113 5.93846 GPRESSAVG: 339400 -14.0957 0.40486 45.3039 0.133255 18.1138 60.0362 47.1183 60.1695 5.61076 TIMING: 339400 CPU: 1067.77, 0.00314799/step Wall: 1067.77, 0.00314799/step, 4.07543 hours remaining, 234.792969 MB of memory in use. ENERGY: 339400 4015.2434 20595.8190 14488.8170 232.8017 -203679.0179 2666.6925 0.0000 0.0000 51699.6996 -109979.9447 297.1189 -161679.6443 -109636.3464 297.9611 -160.2020 -128.7227 761717.3021 3.1066 3.2096 PRESSURE: 339600 -243.425 -58.8675 420.742 -58.8671 173.334 -87.0005 420.742 -87.0006 -79.4941 GPRESSURE: 339600 -142.932 -44.4362 367.017 -97.6802 217.241 -122.812 357.168 -74.8322 -129.372 PRESSAVG: 339600 3.28576 8.78566 96.4884 8.78563 13.0864 -22.6597 96.4884 -22.6597 4.3725 GPRESSAVG: 339600 5.51389 7.52362 96.7963 10.1483 12.1609 -22.8004 95.7687 -24.3366 2.95975 TIMING: 339600 CPU: 1068.4, 0.0031433/step Wall: 1068.4, 0.0031433/step, 4.06917 hours remaining, 234.792969 MB of memory in use. ENERGY: 339600 3972.2659 20506.9996 14417.5797 233.0638 -203839.0569 2534.1177 0.0000 0.0000 52208.8255 -109966.2046 300.0448 -162175.0301 -109611.0090 298.2645 -49.8616 -18.3542 760469.9979 6.9149 6.8782 PRESSURE: 339800 -233.699 224.5 -286.29 224.499 38.55 84.1742 -286.29 84.1735 -239.313 GPRESSURE: 339800 -129.84 104.797 -255.371 172.101 27.8266 109.428 -201.351 51.0289 -256.031 PRESSAVG: 339800 -51.1466 -45.7051 44.0512 -45.7051 9.24357 16.3045 44.0512 16.3044 -16.4134 GPRESSAVG: 339800 -52.2612 -45.8264 44.7539 -45.7272 9.83371 15.7064 45.8446 16.4695 -15.7043 TIMING: 339800 CPU: 1069.03, 0.00314454/step Wall: 1069.03, 0.00314454/step, 4.07061 hours remaining, 234.792969 MB of memory in use. ENERGY: 339800 4053.1864 20647.6385 14400.7458 238.7992 -203443.2337 2466.9350 0.0000 0.0000 51768.7969 -109867.1320 297.5160 -161635.9289 -109495.2711 298.7431 -144.8207 -119.3482 761146.0315 -19.4388 -19.3773 PRESSURE: 340000 159.346 -146.897 193.501 -146.897 358.374 207.77 193.501 207.77 61.8215 GPRESSURE: 340000 224.956 -157.137 174.283 -95.0159 304.736 347.267 164.196 128.168 107.016 PRESSAVG: 340000 -12.5122 -56.2257 -35.7008 -56.2256 1.60057 -32.1846 -35.7008 -32.1846 -10.9427 GPRESSAVG: 340000 -13.3119 -55.6656 -36.6344 -58.2601 2.35563 -30.1729 -35.9693 -34.3722 -10.6891 TIMING: 340000 CPU: 1069.65, 0.00312061/step Wall: 1069.65, 0.00312061/step, 4.03946 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: 340000 3985.0197 20466.7494 14532.9460 242.8624 -203579.7765 2745.3227 0.0000 0.0000 51917.9683 -109688.9081 298.3733 -161606.8764 -109316.8594 298.5303 193.1804 212.2362 760134.8639 -7.2848 -7.2151 PRESSURE: 340200 39.986 -91.1327 120.716 -91.1324 19.6411 -64.4559 120.716 -64.4566 354.436 GPRESSURE: 340200 60.6665 -209.346 127.956 -148.666 112.788 -13.1918 -21.0891 -68.4351 319.536 PRESSAVG: 340200 -4.03608 13.1234 6.28087 13.1234 -24.5881 -3.19159 6.28084 -3.19163 6.72713 GPRESSAVG: 340200 -2.70253 13.8722 6.52772 14.0495 -25.6779 -4.80369 4.92179 -1.3204 6.88556 TIMING: 340200 CPU: 1070.28, 0.00312805/step Wall: 1070.28, 0.00312805/step, 4.04891 hours remaining, 234.792969 MB of memory in use. ENERGY: 340200 3948.3063 20515.9673 14434.9341 254.4459 -203505.4208 2807.8680 0.0000 0.0000 51765.2623 -109778.6370 297.4957 -161543.8993 -109406.8782 299.1022 138.0209 164.3303 761373.2072 -7.2990 -7.1650 LDB: ============= START OF LOAD BALANCING ============== 1082.73 LDB: ============== END OF LOAD BALANCING =============== 1082.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1082.73 LDB: ============= START OF LOAD BALANCING ============== 1083.04 LDB: Largest compute 7077 load 0.034213 is 17.6% of average load 0.194824 LDB: Average compute 0.004381 is 2.2% of average load 0.194824 LDB: TIME 1083.04 LOAD: AVG 0.194824 MAX 0.213716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.332 MB LDB: TIME 1083.05 LOAD: AVG 0.194824 MAX 0.213716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.535 MB LDB: TIME 1083.05 LOAD: AVG 0.194824 MAX 0.213716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.535 MB LDB: ============== END OF LOAD BALANCING =============== 1083.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1083.05 PRESSURE: 340400 131.287 -69.1171 145.44 -69.1176 18.1358 8.1628 145.439 8.16332 3.21475 GPRESSURE: 340400 207.538 -75.0138 149.44 -100.055 13.138 -21.0528 99.7119 99.4703 14.1427 PRESSAVG: 340400 54.177 -1.93882 49.4456 -1.93892 -3.20667 -11.1062 49.4456 -11.1062 15.5935 GPRESSAVG: 340400 53.3735 -3.35658 47.8693 -2.1548 -2.39575 -10.6756 46.5041 -10.3074 15.2683 TIMING: 340400 CPU: 1070.92, 0.00319746/step Wall: 1070.92, 0.00319746/step, 4.13858 hours remaining, 235.312500 MB of memory in use. ENERGY: 340400 3958.1377 20538.1519 14420.3963 240.1086 -203584.3522 2577.4468 0.0000 0.0000 52122.3072 -109727.8038 299.5476 -161850.1110 -109363.9226 299.0431 50.8792 78.2728 762250.2944 22.1880 22.0820 PRESSURE: 340600 -67.6999 75.7227 -21.5103 75.7223 258.564 -250.029 -21.5099 -250.028 -155.384 GPRESSURE: 340600 36.9111 112.349 -45.684 38.7099 143.968 -291.557 -9.17283 -11.9245 -69.6795 PRESSAVG: 340600 -2.40475 -18.5819 -38.2408 -18.582 -14.6325 9.26127 -38.2408 9.26143 18.232 GPRESSAVG: 340600 -1.40838 -17.3937 -37.3285 -16.2063 -16.4582 9.27692 -36.2113 9.24579 18.8754 TIMING: 340600 CPU: 1071.54, 0.00313823/step Wall: 1071.54, 0.00313823/step, 4.06174 hours remaining, 235.312500 MB of memory in use. ENERGY: 340600 4035.1238 20575.5558 14434.8286 245.6543 -203564.1555 2629.2258 0.0000 0.0000 52148.6419 -109495.1254 299.6990 -161643.7672 -109135.0170 298.8610 11.8266 37.0665 760539.1654 0.3982 0.3363 PRESSURE: 340800 -134.424 54.579 -150.606 54.5791 -228.056 179.642 -150.606 179.642 89.2865 GPRESSURE: 340800 -134.325 60.8394 -55.3297 -64.9507 -133.847 100.444 -170.235 100.756 81.1653 PRESSAVG: 340800 44.7703 -26.228 -37.4386 -26.2279 -10.9686 -14.2811 -37.4386 -14.2811 15.8279 GPRESSAVG: 340800 44.392 -25.5576 -37.7096 -29.4777 -11.164 -13.7976 -36.3284 -15.1464 16.3256 TIMING: 340800 CPU: 1072.17, 0.00314574/step Wall: 1072.17, 0.00314574/step, 4.07128 hours remaining, 235.312500 MB of memory in use. ENERGY: 340800 4010.0323 20521.6747 14488.0956 240.7637 -203296.1434 2562.3787 0.0000 0.0000 52018.5099 -109454.6886 298.9511 -161473.1984 -109098.3378 299.9451 -91.0647 -62.3357 761173.0439 16.5432 16.5179 PRESSURE: 341000 54.567 -283.862 -111.905 -283.862 144.918 146.701 -111.905 146.7 396.782 GPRESSURE: 341000 130.44 -164.99 -52.6486 -248.428 124.747 159.044 -46.778 107.145 434.977 PRESSAVG: 341000 33.5681 -88.8464 -34.1399 -88.8464 -67.488 0.0817499 -34.1399 0.0817687 -3.32729 GPRESSAVG: 341000 33.2152 -90.3369 -34.2207 -85.4876 -66.4368 0.118155 -34.1725 1.96019 -3.82481 TIMING: 341000 CPU: 1072.8, 0.00314842/step Wall: 1072.8, 0.00314842/step, 4.07458 hours remaining, 235.312500 MB of memory in use. ENERGY: 341000 3980.4325 20752.3840 14410.9728 248.0416 -203670.2391 2695.0777 0.0000 0.0000 52175.0831 -109408.2475 299.8509 -161583.3305 -109055.6080 299.6014 198.7557 230.0547 761790.4070 -12.4157 -12.3488 PRESSURE: 341200 35.445 -7.46236 113.89 -7.4624 -107.652 -75.7408 113.891 -75.7404 112.885 GPRESSURE: 341200 182.696 -21.1506 54.967 -42.9797 -54.8554 -107.089 68.6531 -131.478 -0.0920893 PRESSAVG: 341200 21.3153 -62.3129 -2.29072 -62.313 -6.29658 2.26379 -2.29073 2.26375 15.0067 GPRESSAVG: 341200 21.5442 -61.1434 -1.44688 -64.0355 -6.86247 2.05747 -3.77056 -0.905793 15.5552 TIMING: 341200 CPU: 1073.43, 0.00313366/step Wall: 1073.43, 0.00313366/step, 4.05531 hours remaining, 235.312500 MB of memory in use. ENERGY: 341200 3957.7969 20311.8548 14517.6191 239.7839 -203280.8032 2622.6299 0.0000 0.0000 52026.1937 -109604.9248 298.9953 -161631.1185 -109239.7727 299.6066 13.5594 42.5827 762168.3122 10.0085 10.0790 PRESSURE: 341400 -195.529 -90.4387 168.788 -90.4383 -33.5815 -103.075 168.788 -103.075 575.087 GPRESSURE: 341400 -184.792 -79.9059 169.403 -97.2752 -20.2186 -114.14 156.984 73.9437 639.318 PRESSAVG: 341400 -2.10099 -54.3436 -2.07021 -54.3436 26.3765 -26.4332 -2.07018 -26.4332 -14.4252 GPRESSAVG: 341400 -2.33222 -55.5312 0.241262 -53.3915 27.4274 -26.3787 -1.3383 -25.9512 -14.7984 TIMING: 341400 CPU: 1074.06, 0.00313969/step Wall: 1074.06, 0.00313969/step, 4.06293 hours remaining, 235.312500 MB of memory in use. ENERGY: 341400 4070.7488 20352.4811 14434.9280 243.5231 -203253.0055 2718.5077 0.0000 0.0000 51922.7557 -109510.0610 298.4008 -161432.8168 -109156.0563 298.9870 115.3256 144.7691 761115.9838 3.2835 3.4323 PRESSURE: 341600 -272.141 -120.502 -82.8784 -120.502 -295.078 28.2548 -82.8782 28.2552 -275.297 GPRESSURE: 341600 -253.529 -132.43 -123.492 -210.047 -233.712 53.9914 44.8489 53.9483 -255.019 PRESSAVG: 341600 -16.8742 -52.4228 -6.17395 -52.4228 53.4293 21.0107 -6.17394 21.0107 24.9458 GPRESSAVG: 341600 -17.2486 -53.6621 -8.32798 -52.8576 53.9496 20.5797 -7.32141 23.1885 24.6838 TIMING: 341600 CPU: 1074.68, 0.00313408/step Wall: 1074.68, 0.00313408/step, 4.0555 hours remaining, 235.312500 MB of memory in use. ENERGY: 341600 3982.9401 20512.3252 14425.6735 240.0583 -203650.7916 2889.8568 0.0000 0.0000 52049.3943 -109550.5434 299.1286 -161599.9377 -109198.1651 299.0440 -280.8386 -247.4202 762462.6669 20.5003 20.4616 PRESSURE: 341800 284.966 -91.156 -22.5624 -91.1561 114.091 215.66 -22.5635 215.661 -245.681 GPRESSURE: 341800 365.481 -25.4113 -148.737 -176.318 141.774 157.836 105.348 201.333 -256.003 PRESSAVG: 341800 31.1752 -58.2504 1.96599 -58.2505 41.6917 -60.6602 1.96598 -60.6602 3.04646 GPRESSAVG: 341800 32.2365 -57.4551 2.47443 -59.8424 40.6988 -60.3184 3.77495 -60.9735 2.87294 TIMING: 341800 CPU: 1075.32, 0.00317811/step Wall: 1075.32, 0.00317811/step, 4.11229 hours remaining, 235.312500 MB of memory in use. ENERGY: 341800 3969.4131 20362.7639 14520.0579 251.5055 -203253.1333 2518.7063 0.0000 0.0000 52114.3313 -109516.3551 299.5018 -161630.6864 -109149.3145 299.0999 51.1251 83.7508 761605.9760 25.3045 25.2694 PRESSURE: 342000 111.639 73.1782 156.574 73.1771 47.9848 122.076 156.574 122.076 115.266 GPRESSURE: 342000 51.8094 43.9705 117.51 17.5225 219.327 65.972 209.814 91.6661 65.7422 PRESSAVG: 342000 53.202 23.9157 -1.97301 23.9157 -36.3829 33.73 -1.97302 33.7301 4.6178 GPRESSAVG: 342000 53.0068 21.6538 -1.11736 25.9378 -35.8086 33.6777 -2.34814 33.6699 4.49686 TIMING: 342000 CPU: 1075.95, 0.00314495/step Wall: 1075.95, 0.00314495/step, 4.06922 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: 342000 3994.5970 20433.9131 14503.7137 247.3436 -203234.8625 2394.3886 0.0000 0.0000 52276.3015 -109384.6051 300.4326 -161660.9065 -109012.1590 299.3910 91.6300 112.2929 760396.5178 7.1456 7.2317 PRESSURE: 342200 -63.9977 -445.615 -267.687 -445.616 51.4374 -1.87171 -267.687 -1.87066 55.8055 GPRESSURE: 342200 -66.2105 -359.83 -180.427 -460.761 211.665 16.6724 -263.88 -98.4076 7.68004 PRESSAVG: 342200 14.3279 -7.13963 -16.3762 -7.13963 -29.8787 -19.3534 -16.3761 -19.3534 6.01351 GPRESSAVG: 342200 14.2407 -6.30782 -15.607 -8.27321 -29.6202 -18.389 -15.7711 -20.6075 6.07107 TIMING: 342200 CPU: 1076.58, 0.0031409/step Wall: 1076.58, 0.0031409/step, 4.0638 hours remaining, 235.312500 MB of memory in use. ENERGY: 342200 3882.8907 20425.0546 14465.4289 226.0367 -202855.6836 2535.7714 0.0000 0.0000 51979.7446 -109340.7566 298.7283 -161320.5012 -108974.0550 299.3599 14.4151 51.0450 761648.0213 -3.1791 -3.1028 PRESSURE: 342400 283.746 123.338 -72.0218 123.339 -217.524 27.1735 -72.0217 27.1744 100.84 GPRESSURE: 342400 291.586 23.1648 -140.711 -2.27317 -127.072 34.9758 -139.061 48.0179 81.1852 PRESSAVG: 342400 8.03344 -50.5109 -13.7361 -50.5108 -31.8743 -43.0308 -13.736 -43.0307 -8.00049 GPRESSAVG: 342400 7.23823 -48.247 -18.0173 -48.8779 -32.8041 -42.7315 -14.0302 -41.3281 -6.55282 TIMING: 342400 CPU: 1077.21, 0.00314432/step Wall: 1077.21, 0.00314432/step, 4.06806 hours remaining, 235.312500 MB of memory in use. ENERGY: 342400 3905.9446 20510.9644 14488.3405 238.2228 -203337.6413 2566.9593 0.0000 0.0000 52296.0007 -109331.2090 300.5458 -161627.2097 -108969.2641 299.3413 55.6871 81.8998 763017.3138 -10.6138 -10.7062 PRESSURE: 342600 -172.554 -176.847 38.4206 -176.846 -169.013 163.083 38.421 163.084 -135.674 GPRESSURE: 342600 -65.6133 -164.195 84.8295 -179.774 -193.674 169.062 99.6231 104.526 -121.737 PRESSAVG: 342600 -18.7381 -53.2286 19.1925 -53.2287 -14.315 -14.0239 19.1926 -14.024 5.60275 GPRESSAVG: 342600 -17.8174 -54.5438 20.2621 -55.466 -12.8533 -14.9236 20.7091 -15.7863 3.42635 TIMING: 342600 CPU: 1077.83, 0.0031437/step Wall: 1077.83, 0.0031437/step, 4.06707 hours remaining, 235.312500 MB of memory in use. ENERGY: 342600 4013.6437 20569.7974 14494.7753 275.2221 -203064.8151 2534.0868 0.0000 0.0000 52128.9940 -109048.2958 299.5860 -161177.2898 -108696.7387 299.5416 -159.0802 -127.0082 763846.8785 -9.1501 -9.0815 PRESSURE: 342800 128.137 -14.9027 -66.4381 -14.9026 -88.2948 -67.2276 -66.4375 -67.2263 -55.4772 GPRESSURE: 342800 254.742 123.519 -83.9124 -78.2343 -92.0781 -157.438 10.8702 3.39238 -86.8401 PRESSAVG: 342800 37.0963 -57.9579 -12.9128 -57.9578 -51.7447 37.7106 -12.9129 37.7106 21.6183 GPRESSAVG: 342800 37.824 -56.9444 -12.7697 -59.064 -53.6157 36.0398 -13.4928 40.1861 22.2435 TIMING: 342800 CPU: 1078.46, 0.00314697/step Wall: 1078.46, 0.00314697/step, 4.07114 hours remaining, 235.312500 MB of memory in use. ENERGY: 342800 4015.3512 20589.5015 14456.6740 273.5040 -203044.7806 2421.8458 0.0000 0.0000 52149.4305 -109138.4737 299.7035 -161287.9042 -108782.6368 300.1157 -5.2116 25.2747 761636.3695 2.3233 2.1506 PRESSURE: 343000 -61.0764 47.8613 61.8839 47.8613 -78.6165 41.8608 61.8836 41.8613 -206.134 GPRESSURE: 343000 14.5149 67.6905 38.5496 1.39943 -90.1473 -8.27066 -18.4516 3.14998 -184.337 PRESSAVG: 343000 24.4982 38.9034 13.2204 38.9034 -10.9739 -5.06313 13.2204 -5.06316 8.81205 GPRESSAVG: 343000 22.9685 37.5783 14.8418 40.7445 -9.39388 -4.33447 13.6657 -7.01157 8.84952 TIMING: 343000 CPU: 1079.09, 0.00313063/step Wall: 1079.09, 0.00313063/step, 4.04982 hours remaining, 235.312500 MB of memory in use. ENERGY: 343000 4027.4699 20735.2307 14474.4183 245.9622 -203510.7407 2583.6807 0.0000 0.0000 52193.8491 -109250.1298 299.9588 -161443.9789 -108893.4308 299.6068 -115.2757 -86.6565 762500.3731 7.4455 7.4747 PRESSURE: 343200 -271.221 68.7938 -85.9088 68.7934 -134.672 98.9639 -85.9097 98.9632 57.6616 GPRESSURE: 343200 -176.468 44.246 -27.4016 -11.6548 -110.143 84.3287 -185.426 224.371 29.5432 PRESSAVG: 343200 83.209 10.185 -23.679 10.185 -26.2721 -39.6791 -23.679 -39.679 11.2965 GPRESSAVG: 343200 84.4129 10.8281 -24.5482 9.80355 -27.4589 -37.277 -24.1187 -38.3354 11.5621 TIMING: 343200 CPU: 1079.72, 0.00312771/step Wall: 1079.72, 0.00312771/step, 4.04587 hours remaining, 235.312500 MB of memory in use. ENERGY: 343200 4045.2214 20546.8436 14439.5432 243.4013 -203052.1361 2481.7618 0.0000 0.0000 52081.8007 -109213.5641 299.3148 -161295.3648 -108838.4774 299.4815 -116.0771 -85.6894 762105.9633 22.7445 22.8387 PRESSURE: 343400 51.475 104.839 113.412 104.838 -25.904 98.9151 113.412 98.9154 40.3134 GPRESSURE: 343400 88.8536 220.114 26.6534 7.71496 19.3851 32.818 86.3953 122.552 40.1929 PRESSAVG: 343400 16.4613 -29.9537 -43.4709 -29.9537 -16.4076 -16.9631 -43.4709 -16.9631 2.4133 GPRESSAVG: 343400 15.5353 -31.7162 -42.9906 -28.7044 -16.1892 -18.3797 -43.3554 -17.6269 2.98216 TIMING: 343400 CPU: 1080.34, 0.00312976/step Wall: 1080.34, 0.00312976/step, 4.04834 hours remaining, 235.312500 MB of memory in use. ENERGY: 343400 3970.4357 20594.6151 14441.8439 245.9131 -203515.5644 2740.0527 0.0000 0.0000 52183.1644 -109339.5395 299.8974 -161522.7038 -108964.8314 299.7005 21.9615 49.4772 762951.2621 0.8224 0.7761 PRESSURE: 343600 214.451 -181.212 234.875 -181.212 -37.5851 105.257 234.875 105.258 -60.214 GPRESSURE: 343600 280.164 -192.127 186.853 -144.126 -77.5066 27.8955 202.373 94.1264 -8.0949 PRESSAVG: 343600 40.6152 8.23691 -16.4693 8.23688 -28.7616 41.994 -16.4692 41.994 16.9956 GPRESSAVG: 343600 40.8568 10.2308 -17.9108 9.69786 -28.0048 41.445 -15.6163 40.9809 16.0226 TIMING: 343600 CPU: 1080.97, 0.00312914/step Wall: 1080.97, 0.00312914/step, 4.04737 hours remaining, 235.312500 MB of memory in use. ENERGY: 343600 4008.7850 20736.2126 14400.7206 262.6371 -203895.7384 2864.7344 0.0000 0.0000 52151.1049 -109471.5438 299.7131 -161622.6487 -109117.3946 299.5391 38.8839 64.8541 761686.1081 9.6164 9.6248 PRESSURE: 343800 -431.844 34.0408 47.9176 34.041 257.38 -190.977 47.9174 -190.976 245.598 GPRESSURE: 343800 -375.588 52.4534 33.2165 -0.395008 246.137 -138.442 32.2451 -165.804 292.579 PRESSAVG: 343800 34.6713 7.47702 -1.42861 7.47706 -9.51441 24.5965 -1.4286 24.5965 -15.8444 GPRESSAVG: 343800 34.3888 7.32059 0.467295 5.00427 -8.6792 24.8637 -2.76527 24.2871 -16.0323 TIMING: 343800 CPU: 1081.59, 0.00313141/step Wall: 1081.59, 0.00313141/step, 4.05014 hours remaining, 235.312500 MB of memory in use. ENERGY: 343800 3970.8058 20586.2610 14449.2228 247.6798 -203955.2984 2786.0979 0.0000 0.0000 52388.9397 -109526.2914 301.0800 -161915.2311 -109171.4473 299.6517 23.7111 54.3760 759398.3520 3.1042 3.2258 PRESSURE: 344000 -106.495 94.1289 -88.9972 94.1296 -635.625 81.4249 -88.9978 81.426 -111.572 GPRESSURE: 344000 11.9178 -7.48786 -30.5476 144.053 -617.113 113.525 11.4162 108.757 -182.844 PRESSAVG: 344000 42.9868 13.5377 -11.0262 13.5377 -8.96567 16.162 -11.0262 16.162 -6.60817 GPRESSAVG: 344000 42.9806 13.9028 -13.5144 13.2911 -9.70814 16.2541 -9.28423 17.6071 -5.70763 TIMING: 344000 CPU: 1082.22, 0.00311494/step Wall: 1082.22, 0.00311494/step, 4.02866 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: 344000 4064.4855 20514.2271 14485.4239 257.9929 -203366.1726 2481.3568 0.0000 0.0000 52217.5493 -109345.1371 300.0950 -161562.6864 -108984.1534 299.4829 -284.5637 -262.6799 761400.8640 9.1377 9.1883 PRESSURE: 344200 285.131 -29.3722 83.7173 -29.373 57.0162 -89.56 83.7178 -89.5601 386.117 GPRESSURE: 344200 268.336 119.699 79.7744 -57.5758 92.4336 -81.3965 39.4048 4.39113 434.642 PRESSAVG: 344200 34.81 2.60731 -12.6708 2.60734 -71.1866 -1.60646 -12.6709 -1.60654 2.69968 GPRESSAVG: 344200 35.2524 4.68987 -10.8176 3.16903 -71.4016 0.0276982 -15.1942 -1.24636 2.78674 TIMING: 344200 CPU: 1082.84, 0.00313158/step Wall: 1082.84, 0.00313158/step, 4.05 hours remaining, 235.312500 MB of memory in use. ENERGY: 344200 4024.9557 20608.9115 14491.1893 238.1958 -203768.3668 3011.5251 0.0000 0.0000 52182.9251 -109210.6643 299.8960 -161393.5894 -108848.1212 299.5617 242.7548 265.1371 761349.1461 -11.2256 -11.1208 LDB: ============= START OF LOAD BALANCING ============== 1095.29 LDB: ============== END OF LOAD BALANCING =============== 1095.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1095.3 LDB: ============= START OF LOAD BALANCING ============== 1095.61 LDB: Largest compute 7060 load 0.033826 is 17.4% of average load 0.194955 LDB: Average compute 0.004385 is 2.2% of average load 0.194955 LDB: TIME 1095.61 LOAD: AVG 0.194955 MAX 0.21197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.609 MB LDB: TIME 1095.61 LOAD: AVG 0.194955 MAX 0.21197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: TIME 1095.61 LOAD: AVG 0.194955 MAX 0.21197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: ============== END OF LOAD BALANCING =============== 1095.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1095.62 PRESSURE: 344400 125.6 -62.0352 -76.7372 -62.0354 87.3993 -258.173 -76.7375 -258.173 57.8065 GPRESSURE: 344400 145.838 -39.5925 -75.4087 -106.043 88.5989 -194.034 -129.162 -193.468 121.976 PRESSAVG: 344400 34.8725 -4.39561 -26.4404 -4.3956 -25.8568 -2.66855 -26.4404 -2.66858 -3.2667 GPRESSAVG: 344400 34.601 -6.48478 -27.9059 -4.07404 -26.6335 -3.72298 -24.8056 -2.48292 -2.48447 TIMING: 344400 CPU: 1083.49, 0.00321027/step Wall: 1083.49, 0.00321027/step, 4.15159 hours remaining, 234.996094 MB of memory in use. ENERGY: 344400 3996.2401 20544.9749 14546.2098 245.2193 -203503.1113 2467.9039 0.0000 0.0000 52422.3108 -109280.2524 301.2717 -161702.5632 -108912.0053 299.6994 90.2686 118.8044 760419.4222 1.9163 1.8277 PRESSURE: 344600 -60.7894 106.003 -109.662 106.003 -235.289 -56.8797 -109.662 -56.8797 277.498 GPRESSURE: 344600 -19.8847 199.099 -107.063 50.3376 -84.1289 12.3877 -117.197 16.2293 174.338 PRESSAVG: 344600 -20.6264 -13.0206 -13.8006 -13.0206 36.8347 6.57692 -13.8006 6.57692 -5.02948 GPRESSAVG: 344600 -20.0894 -11.9242 -13.6545 -12.2083 38.4046 7.00924 -15.309 5.10593 -6.67147 TIMING: 344600 CPU: 1084.11, 0.0031317/step Wall: 1084.11, 0.0031317/step, 4.04981 hours remaining, 235.199219 MB of memory in use. ENERGY: 344600 4028.4936 20613.8789 14430.1495 242.8940 -202925.6658 2488.7176 0.0000 0.0000 51946.0862 -109175.4461 298.5349 -161121.5322 -108819.5556 299.7049 -6.1933 23.4416 763474.0868 3.7262 3.8812 PRESSURE: 344800 -151.41 -120.885 -438.394 -120.885 -91.398 95.2089 -438.394 95.2098 -222.27 GPRESSURE: 344800 -80.8833 -81.5447 -316.813 -23.3582 -134.292 71.9396 -154.02 148.834 -181.429 PRESSAVG: 344800 -4.75256 -35.1064 -37.8458 -35.1064 -16.0957 -59.84 -37.8458 -59.8399 18.6542 GPRESSAVG: 344800 -5.26627 -35.5989 -37.9868 -34.1187 -16.2545 -61.5635 -35.2735 -59.0093 19.2914 TIMING: 344800 CPU: 1084.74, 0.00312514/step Wall: 1084.74, 0.00312514/step, 4.04116 hours remaining, 235.199219 MB of memory in use. ENERGY: 344800 3977.4241 20663.9969 14462.0487 257.8018 -203533.8848 2585.2035 0.0000 0.0000 52251.4486 -109335.9612 300.2898 -161587.4098 -108985.2057 299.6443 -155.0259 -132.2014 759643.8020 -0.7313 -0.7431 PRESSURE: 345000 -3.49686 -97.2609 241.857 -97.2612 198.97 -151.205 241.857 -151.204 84.3102 GPRESSURE: 345000 68.8546 -51.7625 204.418 -106.816 267.164 -103.495 91.9073 -170.301 34.29 PRESSAVG: 345000 6.97271 -1.12467 71.7752 -1.12469 33.425 12.7999 71.7752 12.7998 2.21646 GPRESSAVG: 345000 7.41926 -2.84551 71.3099 -1.39968 33.1523 15.5475 71.8812 10.8141 2.48045 TIMING: 345000 CPU: 1085.36, 0.00312195/step Wall: 1085.36, 0.00312195/step, 4.03685 hours remaining, 235.199219 MB of memory in use. ENERGY: 345000 4007.3611 20580.1675 14480.6563 251.3188 -203366.6766 2791.5719 0.0000 0.0000 52138.8948 -109116.7063 299.6429 -161255.6011 -108754.8664 299.6628 93.2610 123.4361 759859.9900 14.2047 14.3507 PRESSURE: 345200 349.336 -86.9567 -151.898 -86.9558 315.113 37.1392 -151.897 37.1384 20.1185 GPRESSURE: 345200 402.665 60.2661 -86.6479 22.2187 333.296 1.62592 -235.247 69.015 15.4953 PRESSAVG: 345200 18.3351 -19.4371 49.0672 -19.4372 5.29972 10.8974 49.0672 10.8973 10.3296 GPRESSAVG: 345200 20.185 -18.3173 49.609 -19.6255 4.28046 9.72794 46.8724 13.0685 9.75129 TIMING: 345200 CPU: 1085.99, 0.00313991/step Wall: 1085.99, 0.00313991/step, 4.0599 hours remaining, 235.199219 MB of memory in use. ENERGY: 345200 3997.5528 20493.8522 14554.2299 239.8642 -203201.9431 2562.2227 0.0000 0.0000 52098.9116 -109255.3096 299.4132 -161354.2212 -108892.6516 299.7161 228.1891 250.4856 759696.6704 11.3214 11.4056 PRESSURE: 345400 -216.855 171.998 -183.362 171.997 -185.354 -311.624 -183.363 -311.623 -248.747 GPRESSURE: 345400 -91.1105 79.1652 -154.645 -27.1281 -194.952 -338.029 -73.6383 -184.557 -293.274 PRESSAVG: 345400 -1.47953 -14.092 11.0739 -14.092 29.3925 8.60012 11.0739 8.60006 -17.3871 GPRESSAVG: 345400 -1.64893 -15.4181 10.7887 -15.9095 29.033 8.64757 12.2516 7.47608 -17.1904 TIMING: 345400 CPU: 1086.62, 0.00316067/step Wall: 1086.62, 0.00316067/step, 4.08657 hours remaining, 235.199219 MB of memory in use. ENERGY: 345400 4012.4446 20595.3402 14541.3780 239.2012 -203447.4884 2578.5300 0.0000 0.0000 52271.4469 -109209.1475 300.4047 -161480.5944 -108848.5409 299.2348 -216.9854 -193.1120 760537.7199 3.5086 3.3979 PRESSURE: 345600 6.04106 229.196 -130.422 229.197 -184.692 53.5912 -130.421 53.5916 241.829 GPRESSURE: 345600 -8.01347 202.789 -138.214 228.928 -221.971 -13.8591 -20.7271 125.778 377.527 PRESSAVG: 345600 -0.29369 9.75871 23.9719 9.75872 -69.4677 -18.2518 23.9719 -18.2518 27.5346 GPRESSAVG: 345600 -1.91423 12.0647 23.0828 11.4132 -68.3196 -18.4776 23.6936 -18.1794 27.7402 TIMING: 345600 CPU: 1087.25, 0.00314568/step Wall: 1087.25, 0.00314568/step, 4.06701 hours remaining, 235.199219 MB of memory in use. ENERGY: 345600 4011.5296 20678.4034 14507.8083 261.2063 -203242.3751 2601.5368 0.0000 0.0000 51862.4516 -109319.4392 298.0542 -161181.8908 -108968.7663 299.5012 21.0596 49.1812 759959.7149 -14.0756 -14.1645 PRESSURE: 345800 -249.002 -258.672 153.646 -258.672 -103.305 84.9924 153.646 84.9915 366.487 GPRESSURE: 345800 -168.684 -226.002 93.5952 -366.078 -127.176 50.744 100.188 204.822 386.663 PRESSAVG: 345800 -25.8888 -28.0245 4.93635 -28.0245 32.0565 -57.4681 4.93628 -57.4681 -4.62746 GPRESSAVG: 345800 -26.0196 -28.273 5.3607 -30.2435 31.3307 -57.4611 4.76058 -56.3256 -3.39875 TIMING: 345800 CPU: 1087.88, 0.00313733/step Wall: 1087.88, 0.00313733/step, 4.05605 hours remaining, 235.199219 MB of memory in use. ENERGY: 345800 3964.5917 20392.1363 14387.3967 243.1899 -203296.0927 2591.0785 0.0000 0.0000 52305.6326 -109412.0669 300.6012 -161717.6995 -109055.7905 299.1599 4.7266 30.2677 761005.5226 0.5134 0.6374 PRESSURE: 346000 -185.033 -26.0748 39.7263 -26.0748 54.1521 2.63779 39.7258 2.63843 -104.266 GPRESSURE: 346000 -46.4286 -15.3408 87.3478 -24.8796 -11.0507 31.0123 -46.5721 20.9448 -104.961 PRESSAVG: 346000 -13.2862 -1.43251 14.3756 -1.43248 -2.73642 -47.6639 14.3757 -47.6639 2.40495 GPRESSAVG: 346000 -12.3962 -0.618272 13.5468 -0.33143 -3.06893 -46.0505 16.1291 -49.0605 1.66446 TIMING: 346000 CPU: 1088.5, 0.00312934/step Wall: 1088.5, 0.00312934/step, 4.04554 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: 346000 4043.0061 20705.2046 14416.6009 250.0041 -203200.4620 2573.2518 0.0000 0.0000 51943.5632 -109268.8313 298.5204 -161212.3945 -108921.6891 299.4001 -78.3825 -54.1467 760856.2455 -4.5392 -4.6002 PRESSURE: 346200 130.329 -175.362 34.3324 -175.362 456.098 -152.428 34.332 -152.428 200.245 GPRESSURE: 346200 115.619 -65.6338 -12.2904 -103.975 467.427 -93.6007 48.8612 -74.523 278.118 PRESSAVG: 346200 32.9239 -14.6557 -2.06959 -14.6557 -14.4594 -14.511 -2.06957 -14.511 -17.1985 GPRESSAVG: 346200 31.6189 -15.2801 -0.632825 -15.6668 -14.0339 -15.5982 -3.5464 -15.0954 -16.4992 TIMING: 346200 CPU: 1089.13, 0.00312041/step Wall: 1089.13, 0.00312041/step, 4.03382 hours remaining, 235.199219 MB of memory in use. ENERGY: 346200 3983.8965 20470.6791 14537.3973 251.9965 -203386.0780 2798.6197 0.0000 0.0000 52054.9969 -109288.4920 299.1608 -161343.4889 -108928.9560 299.2718 262.2241 287.0548 759411.1563 0.4220 0.3619 PRESSURE: 346400 47.3223 110.74 100.596 110.74 21.0831 144.271 100.595 144.271 -32.8398 GPRESSURE: 346400 134.98 62.7107 36.5063 103.234 35.5018 164.513 39.2184 29.681 -71.1211 PRESSAVG: 346400 -29.0198 14.0282 12.285 14.0282 19.3302 -44.0211 12.285 -44.0212 2.44627 GPRESSAVG: 346400 -28.6294 12.9193 11.2658 13.3857 19.2389 -42.9038 14.0379 -42.7886 3.05221 TIMING: 346400 CPU: 1089.76, 0.0031422/step Wall: 1089.76, 0.0031422/step, 4.06181 hours remaining, 235.199219 MB of memory in use. ENERGY: 346400 3958.8657 20554.2085 14514.4527 254.9033 -202917.2783 2499.2574 0.0000 0.0000 51978.5459 -109157.0448 298.7214 -161135.5907 -108795.9431 299.3752 11.8552 33.1204 762103.9268 -2.4144 -2.1128 PRESSURE: 346600 -165.211 134.295 -145.885 134.295 124.416 -115.755 -145.884 -115.757 -124.379 GPRESSURE: 346600 -187.707 168.741 -119.813 101.839 158.153 -156.769 -209.748 -50.5738 -60.8172 PRESSAVG: 346600 18.9729 -46.5236 17.6015 -46.5235 -37.558 4.25265 17.6015 4.25264 11.596 GPRESSAVG: 346600 18.9295 -45.452 18.381 -44.5573 -37.3718 3.69228 14.5481 3.41138 11.2317 TIMING: 346600 CPU: 1090.38, 0.00312482/step Wall: 1090.38, 0.00312482/step, 4.03918 hours remaining, 235.199219 MB of memory in use. ENERGY: 346600 3940.5937 20446.2031 14490.0298 243.5539 -202867.0490 2333.3347 0.0000 0.0000 52250.0127 -109163.3210 300.2815 -161413.3337 -108789.5297 299.3219 -55.0581 -30.1236 762364.3453 -2.3297 -2.4035 PRESSURE: 346800 -71.9595 -34.8741 36.6922 -34.8749 112.43 -218.152 36.6927 -218.151 52.0535 GPRESSURE: 346800 -134.722 45.8583 41.7851 -89.2798 154.906 -305.101 -32.8913 -219.454 148.85 PRESSAVG: 346800 5.85133 -10.6483 13.3656 -10.6483 4.90728 4.05282 13.3657 4.05286 10.1807 GPRESSAVG: 346800 5.9609 -10.9819 12.1265 -10.9983 4.61693 2.77927 16.3231 5.0185 10.4653 TIMING: 346800 CPU: 1091.01, 0.00313152/step Wall: 1091.01, 0.00313152/step, 4.04767 hours remaining, 235.199219 MB of memory in use. ENERGY: 346800 3996.7077 20667.5966 14461.1856 242.5499 -203034.2921 2617.4401 0.0000 0.0000 51998.2910 -109050.5211 298.8349 -161048.8121 -108691.0139 299.9159 30.8413 56.3444 761846.5312 6.9798 7.0144 PRESSURE: 347000 -88.2799 -125.414 -8.35612 -125.414 -348.17 -12.8887 -8.35554 -12.8883 -228.659 GPRESSURE: 347000 28.254 -290.12 36.6418 -246.583 -332.392 -11.1477 -107.853 -24.4008 -261.118 PRESSAVG: 347000 66.6108 -24.7694 15.7552 -24.7695 -69.4987 -0.145792 15.7552 -0.1457 5.77846 GPRESSAVG: 347000 67.5978 -27.3341 15.5608 -25.6746 -68.8473 0.684353 14.1288 -0.717747 4.07911 TIMING: 347000 CPU: 1091.63, 0.00313024/step Wall: 1091.63, 0.00313024/step, 4.04584 hours remaining, 235.199219 MB of memory in use. ENERGY: 347000 4071.4275 20424.4379 14444.4960 241.2531 -202775.0171 2440.1295 0.0000 0.0000 52095.8541 -109057.4189 299.3956 -161153.2731 -108693.6295 300.0594 -221.7031 -188.4185 761514.8739 0.9635 0.9432 PRESSURE: 347200 -105.451 49.9146 141.361 49.9152 -389.619 82.1112 141.36 82.1112 -282.25 GPRESSURE: 347200 -79.3342 -58.5701 67.1929 34.6515 -359.722 19.931 157.529 -13.9512 -243.728 PRESSAVG: 347200 6.15409 -19.1696 -22.431 -19.1696 -1.73917 -37.5448 -22.4311 -37.5449 -10.3054 GPRESSAVG: 347200 5.23841 -17.2978 -23.0274 -17.0893 -0.409508 -37.2413 -23.0281 -39.2286 -10.6077 TIMING: 347200 CPU: 1092.26, 0.00313176/step Wall: 1092.26, 0.00313176/step, 4.04762 hours remaining, 235.199219 MB of memory in use. ENERGY: 347200 4075.9398 20542.7539 14520.7109 227.3698 -203417.9997 2808.9136 0.0000 0.0000 52173.4166 -109068.8951 299.8413 -161242.3117 -108707.1625 299.9265 -259.1066 -227.5948 760816.4308 -1.9635 -1.9263 PRESSURE: 347400 234.989 -35.7324 7.22647 -35.7329 154.342 86.1126 7.2258 86.1116 414.351 GPRESSURE: 347400 239.483 -157.58 -4.30338 -34.9706 267.292 15.4656 12.9532 85.4481 371.357 PRESSAVG: 347400 3.93364 -23.7368 -51.3457 -23.7368 -20.2657 74.4116 -51.3457 74.4117 -0.229106 GPRESSAVG: 347400 3.88474 -24.9435 -49.8895 -23.1788 -21.809 72.1757 -51.0226 78.6759 1.06483 TIMING: 347400 CPU: 1092.89, 0.00315179/step Wall: 1092.89, 0.00315179/step, 4.07333 hours remaining, 235.199219 MB of memory in use. ENERGY: 347400 3957.4563 20649.1468 14462.4661 252.0372 -203329.1502 2770.6635 0.0000 0.0000 51950.1381 -109287.2423 298.5582 -161237.3804 -108927.5238 299.9007 267.8939 292.7110 760933.1197 -5.5204 -5.6198 PRESSURE: 347600 -120.435 -67.1385 -114.438 -67.1386 -30.244 -171.332 -114.437 -171.332 -106.473 GPRESSURE: 347600 1.96446 -40.3762 -80.8203 -130.45 -11.4327 -207.505 -43.4254 -139.003 -148.179 PRESSAVG: 347600 -4.47089 -54.2656 23.5113 -54.2656 -1.82455 -16.9582 23.5113 -16.9581 -12.679 GPRESSAVG: 347600 -4.69711 -52.5961 23.219 -57.5473 -1.40267 -15.0903 25.0743 -18.0976 -13.2 TIMING: 347600 CPU: 1093.52, 0.00315382/step Wall: 1093.52, 0.00315382/step, 4.07578 hours remaining, 235.199219 MB of memory in use. ENERGY: 347600 4015.9680 20463.9575 14468.6214 251.5685 -203351.3726 2595.4071 0.0000 0.0000 52175.9110 -109379.9392 299.8557 -161555.8502 -109015.9005 299.5649 -85.7176 -52.5493 761458.3477 -6.3248 -6.4333 PRESSURE: 347800 -311.314 -101.108 -110.001 -101.109 -56.3704 68.6215 -110.001 68.6218 -81.5635 GPRESSURE: 347800 -296.454 -161.614 -54.91 -98.9644 5.16151 55.207 -197.524 147.981 -90.1081 PRESSAVG: 347800 -28.0477 10.1422 2.33095 10.1422 35.8195 -1.51516 2.33095 -1.51516 18.3049 GPRESSAVG: 347800 -28.7713 9.49448 2.52382 10.7559 35.3924 -2.40068 1.4335 -1.24131 19.8676 TIMING: 347800 CPU: 1094.15, 0.00315625/step Wall: 1094.15, 0.00315625/step, 4.07876 hours remaining, 235.199219 MB of memory in use. ENERGY: 347800 3971.4483 20494.7883 14419.2151 237.4518 -203242.0635 2569.8947 0.0000 0.0000 52205.9751 -109343.2902 300.0285 -161549.2654 -108974.6077 299.4776 -149.7494 -127.1335 763932.7144 8.6922 8.8296 PRESSURE: 348000 200.493 40.0236 -128.483 40.0227 -172.43 212.327 -128.484 212.326 272.224 GPRESSURE: 348000 216.805 119.521 -78.2751 -0.665831 -128.695 180.907 -22.9049 139.893 319.892 PRESSAVG: 348000 7.45935 -68.9228 18.9898 -68.9228 -15.6148 -29.6352 18.9899 -29.6352 -4.78049 GPRESSAVG: 348000 8.36538 -67.9657 17.0475 -67.2352 -16.5125 -30.8569 19.4589 -30.5031 -5.1619 TIMING: 348000 CPU: 1094.78, 0.00313127/step Wall: 1094.78, 0.00313127/step, 4.0463 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: 348000 3909.1568 20496.4929 14483.0627 260.0959 -203055.3931 2542.8934 0.0000 0.0000 51957.1342 -109406.5572 298.5984 -161363.6913 -109045.5395 298.8638 100.0953 136.0006 760672.7656 -4.3120 -4.4363 PRESSURE: 348200 -11.0861 -202.362 -175.672 -202.362 45.6051 -73.3013 -175.672 -73.3019 -96.8538 GPRESSURE: 348200 58.3526 -226.629 -270.56 -238.136 18.4333 -44.3959 -212.445 -111.484 -40.8172 PRESSAVG: 348200 48.6965 -94.7192 14.8158 -94.7192 -18.2178 -0.0583902 14.8158 -0.0584533 -4.48998 GPRESSAVG: 348200 47.733 -95.6991 15.9359 -95.6809 -17.3792 1.3132 14.2286 0.721259 -4.44097 TIMING: 348200 CPU: 1095.41, 0.00315924/step Wall: 1095.41, 0.00315924/step, 4.08227 hours remaining, 235.199219 MB of memory in use. ENERGY: 348200 3951.6567 20606.7100 14564.1692 241.9794 -203012.1921 2231.7479 0.0000 0.0000 51830.3498 -109585.5792 297.8697 -161415.9290 -109225.7400 298.6338 -20.7783 11.9896 759446.7327 8.6629 8.6376 LDB: ============= START OF LOAD BALANCING ============== 1107.86 LDB: ============== END OF LOAD BALANCING =============== 1107.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1107.86 LDB: ============= START OF LOAD BALANCING ============== 1108.17 LDB: Largest compute 7076 load 0.034507 is 17.7% of average load 0.194669 LDB: Average compute 0.004382 is 2.3% of average load 0.194669 LDB: TIME 1108.18 LOAD: AVG 0.194669 MAX 0.209741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.508 MB LDB: TIME 1108.18 LOAD: AVG 0.194669 MAX 0.209741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 1108.18 LOAD: AVG 0.194669 MAX 0.209741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 1108.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1108.18 PRESSURE: 348400 -53.0969 -152.537 69.8534 -152.537 -71.2319 -92.3228 69.8535 -92.3221 -578.142 GPRESSURE: 348400 -149.725 -222.886 171.136 -115.409 -18.1325 -81.2377 57.1036 -199.579 -468.089 PRESSAVG: 348400 -11.6829 -42.9896 5.5518 -42.9896 27.4613 18.209 5.55185 18.2092 18.1179 GPRESSAVG: 348400 -12.0976 -41.9002 5.16419 -42.6041 27.9236 18.0492 6.08517 17.8595 17.3603 TIMING: 348400 CPU: 1096.05, 0.00319281/step Wall: 1096.05, 0.00319281/step, 4.12547 hours remaining, 236.277344 MB of memory in use. ENERGY: 348400 3984.5849 20454.5688 14462.0756 253.4819 -203631.4057 2664.4544 0.0000 0.0000 52297.9009 -109514.3393 300.5568 -161812.2402 -109151.4562 299.1553 -234.1570 -211.9823 760834.1581 11.2988 11.0621 PRESSURE: 348600 -238.077 -247.1 -159.245 -247.1 -109.071 -346.397 -159.246 -346.396 190.386 GPRESSURE: 348600 -197.96 -243.017 -161.834 -289.976 -5.05538 -304.541 -112.761 -289.053 116.447 PRESSAVG: 348600 1.59706 -47.8713 38.7899 -47.8713 -1.31171 7.79303 38.7899 7.79299 31.5885 GPRESSAVG: 348600 2.29125 -48.2294 39.2999 -47.6732 -1.57646 10.096 36.9434 6.25205 31.0993 TIMING: 348600 CPU: 1096.68, 0.00313869/step Wall: 1096.68, 0.00313869/step, 4.05536 hours remaining, 236.343750 MB of memory in use. ENERGY: 348600 3983.3908 20460.3317 14491.0167 270.6029 -203355.6064 2702.9389 0.0000 0.0000 51935.9992 -109511.3260 298.4769 -161447.3253 -109141.8769 299.2485 -52.2538 -28.8561 762046.6619 10.6246 10.6047 PRESSURE: 348800 573.217 80.4389 -120.308 80.4393 148.342 80.3191 -120.309 80.3181 183.768 GPRESSURE: 348800 534.894 45.0166 -252.668 155.125 233.226 25.8804 -47.2635 126.559 240.133 PRESSAVG: 348800 25.5363 -44.2369 -20.9762 -44.2369 -15.9601 8.85095 -20.9762 8.85099 -0.0273811 GPRESSAVG: 348800 25.6342 -43.3149 -20.5439 -43.7357 -15.75 7.74038 -19.1381 11.1579 0.357632 TIMING: 348800 CPU: 1097.3, 0.00314097/step Wall: 1097.3, 0.00314097/step, 4.05813 hours remaining, 236.343750 MB of memory in use. ENERGY: 348800 3895.7164 20417.5798 14518.5050 246.9671 -203946.7746 2964.8038 0.0000 0.0000 52429.3458 -109473.8568 301.3122 -161903.2025 -109105.3010 298.7822 301.7758 336.0842 760810.2061 3.1829 3.4139 PRESSURE: 349000 -45.1612 -2.79198 -22.5988 -2.7914 70.9679 -75.1238 -22.5986 -75.1246 -65.4946 GPRESSURE: 349000 -127.88 -78.62 8.47413 -77.2011 143.215 -137.038 118.232 -14.6683 26.67 PRESSAVG: 349000 5.44994 -22.1683 42.8263 -22.1683 -34.4722 -28.83 42.8262 -28.83 20.6641 GPRESSAVG: 349000 5.3611 -22.9795 43.6832 -21.7476 -34.0927 -29.7982 42.2766 -29.8861 20.4057 TIMING: 349000 CPU: 1097.93, 0.00313616/step Wall: 1097.93, 0.00313616/step, 4.05175 hours remaining, 236.343750 MB of memory in use. ENERGY: 349000 4013.6375 20531.0593 14574.9703 241.8356 -203615.8836 2660.0619 0.0000 0.0000 52046.5414 -109547.7775 299.1122 -161594.3189 -109172.5121 299.1808 -13.2293 14.0016 761594.8365 -2.7860 -2.7753 PRESSURE: 349200 92.8236 72.6639 -70.2284 72.6632 -14.5314 -132.546 -70.2286 -132.546 -306.17 GPRESSURE: 349200 168.488 22.944 -34.7543 153.068 -37.6803 -60.1311 -123.911 -23.6645 -280.637 PRESSAVG: 349200 22.422 3.74887 -31.5929 3.7489 23.7363 36.091 -31.5929 36.0909 -6.45202 GPRESSAVG: 349200 21.4931 4.34897 -32.1647 1.4981 22.9751 36.5499 -32.415 37.5343 -5.36651 TIMING: 349200 CPU: 1098.56, 0.00315895/step Wall: 1098.56, 0.00315895/step, 4.08101 hours remaining, 236.343750 MB of memory in use. ENERGY: 349200 4074.2289 20579.3256 14465.9937 240.3222 -203484.6001 2828.6297 0.0000 0.0000 51965.8698 -109330.2301 298.6486 -161296.0999 -108973.2628 299.2317 -75.9593 -49.9432 762282.1692 13.2354 13.0339 PRESSURE: 349400 49.2409 -45.2503 122.126 -45.2505 -249.646 18.2106 122.126 18.2112 82.9348 GPRESSURE: 349400 8.98761 -111.33 161.209 -53.8118 -164.739 -58.9044 110.826 102.391 115.399 PRESSAVG: 349400 -32.2347 -9.50373 11.564 -9.50375 4.2284 36.6627 11.564 36.6627 -6.90684 GPRESSAVG: 349400 -31.606 -9.57062 10.8527 -8.02396 4.59867 35.9759 11.7642 35.8755 -8.12116 TIMING: 349400 CPU: 1099.19, 0.00315676/step Wall: 1099.19, 0.00315676/step, 4.078 hours remaining, 236.343750 MB of memory in use. ENERGY: 349400 4113.5549 20365.7856 14508.2698 256.5061 -203818.8957 2740.0879 0.0000 0.0000 52355.1443 -109479.5471 300.8857 -161834.6913 -109111.6798 299.1368 -39.1569 -13.4507 761700.5114 -11.6377 -11.7095 PRESSURE: 349600 -288.557 16.4882 68.3825 16.4887 -367.18 51.9144 68.3827 51.9146 -597.236 GPRESSURE: 349600 -268.986 -2.23822 80.6 58.1874 -358.917 -12.6286 -24.0118 -34.1664 -552.907 PRESSAVG: 349600 -5.82606 -34.1315 21.3343 -34.1315 -2.5094 -30.0696 21.3344 -30.0697 18.5257 GPRESSAVG: 349600 -5.70716 -35.5398 22.1805 -34.0056 -3.13817 -29.807 22.0563 -31.1458 18.9158 TIMING: 349600 CPU: 1099.83, 0.00315834/step Wall: 1099.83, 0.00315834/step, 4.07987 hours remaining, 236.343750 MB of memory in use. ENERGY: 349600 3995.0893 20720.3956 14507.6364 254.0752 -202873.8573 2334.9024 0.0000 0.0000 51938.3340 -109123.4244 298.4903 -161061.7584 -108756.6434 299.5996 -417.6578 -393.6032 762840.0433 3.3967 3.3568 PRESSURE: 349800 184.765 -11.566 56.799 -11.5668 -87.6873 -55.3607 56.7985 -55.362 -19.952 GPRESSURE: 349800 313.448 136.18 51.9349 20.9143 -129.956 -1.50008 102.78 -121.881 -14.1506 PRESSAVG: 349800 71.2891 -75.4819 5.78761 -75.482 -37.8586 -46.315 5.78762 -46.3149 3.55313 GPRESSAVG: 349800 71.7377 -73.2972 5.45085 -75.0385 -37.897 -47.7367 6.70522 -46.539 3.53437 TIMING: 349800 CPU: 1100.45, 0.00314107/step Wall: 1100.45, 0.00314107/step, 4.05739 hours remaining, 236.343750 MB of memory in use. ENERGY: 349800 4059.6526 20624.4103 14522.0461 245.4016 -203505.8125 2977.4929 0.0000 0.0000 52082.8908 -108993.9183 299.3211 -161076.8090 -108624.7464 300.1750 25.7086 56.4474 763030.2049 12.3279 12.4584 PRESSURE: 350000 14.4042 294.064 -99.5417 294.064 28.7186 -328.88 -99.5422 -328.88 184.049 GPRESSURE: 350000 82.2166 109.521 0.843462 167.687 -4.666 -285.82 -205.588 -99.2466 241.35 PRESSAVG: 350000 46.6516 -28.5445 8.67809 -28.5445 -35.0512 -16.2031 8.67807 -16.2031 -6.38683 GPRESSAVG: 350000 46.214 -28.41 8.58272 -28.672 -34.0414 -13.8924 8.00692 -15.4873 -6.81665 TIMING: 350000 CPU: 1101.08, 0.00314264/step Wall: 1101.08, 0.00314264/step, 4.05924 hours remaining, 236.343750 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: 350000 3970.3789 20618.9806 14544.0388 257.3624 -203482.2790 3056.5039 0.0000 0.0000 51984.1057 -109050.9086 298.7534 -161035.0143 -108693.9858 299.5283 75.7240 106.3002 763477.0434 1.7378 1.7853 PRESSURE: 350200 -225.287 -114.52 -173.138 -114.52 -122.284 -31.2656 -173.138 -31.2663 191.673 GPRESSURE: 350200 -211.319 -180.731 -96.9554 -120.151 -55.3091 -84.2356 -271.367 -92.951 198.829 PRESSAVG: 350200 9.7031 -26.4605 29.0654 -26.4605 -22.076 -14.4194 29.0654 -14.4194 19.2401 GPRESSAVG: 350200 10.3181 -26.3306 28.3505 -25.9553 -23.6107 -14.4346 29.0339 -14.5424 20.2294 TIMING: 350200 CPU: 1101.71, 0.00314123/step Wall: 1101.71, 0.00314123/step, 4.05725 hours remaining, 236.343750 MB of memory in use. ENERGY: 350200 4020.4736 20754.5023 14526.3747 233.7555 -203319.6326 2620.2975 0.0000 0.0000 52160.9079 -109003.3211 299.7695 -161164.2290 -108648.0220 299.7578 -51.9662 -22.5997 762614.3942 2.2890 2.3122 PRESSURE: 350400 -336.439 -78.163 84.4055 -78.162 -273.339 -11.2356 84.4063 -11.2356 242.606 GPRESSURE: 350400 -298.07 -85.0126 100.831 -164.463 -232.514 -39.3725 55.0625 -78.6913 255.489 PRESSAVG: 350400 25.0557 -46.2633 84.5865 -46.2633 -31.6111 -2.27518 84.5864 -2.27519 -20.0948 GPRESSAVG: 350400 24.3711 -47.5424 85.3762 -46.0816 -31.1034 -3.63251 83.7828 -3.80268 -20.7316 TIMING: 350400 CPU: 1102.34, 0.00313509/step Wall: 1102.34, 0.00313509/step, 4.04914 hours remaining, 236.343750 MB of memory in use. ENERGY: 350400 3959.9903 20567.5667 14474.5487 241.1773 -202894.2191 2414.2453 0.0000 0.0000 51888.4804 -109348.2105 298.2038 -161236.6909 -108982.3010 299.4598 -122.3907 -91.6986 761786.0158 -8.8834 -9.1546 PRESSURE: 350600 -435.355 45.5849 71.7108 45.5852 -27.2415 16.4993 71.7098 16.4989 -71.5334 GPRESSURE: 350600 -380.858 -31.6231 17.5555 76.6806 18.3009 38.766 111.872 -46.9334 -72.3359 PRESSAVG: 350600 27.4674 -19.3124 2.22372 -19.3125 6.05778 -38.4974 2.22372 -38.4973 25.238 GPRESSAVG: 350600 27.8333 -20.2068 1.52957 -17.8645 7.19015 -37.4996 3.08519 -35.7305 24.3938 TIMING: 350600 CPU: 1102.97, 0.00313612/step Wall: 1102.97, 0.00313612/step, 4.0503 hours remaining, 236.343750 MB of memory in use. ENERGY: 350600 3999.2306 20509.1847 14534.5309 224.5832 -203114.2628 2394.3667 0.0000 0.0000 52049.1510 -109403.2156 299.1272 -161452.3666 -109038.9135 299.2760 -178.0432 -144.9645 761331.2471 19.5877 19.8057 PRESSURE: 350800 -64.458 30.5827 -18.7039 30.5835 181.123 -50.8829 -18.7044 -50.883 328.396 GPRESSURE: 350800 -28.2705 -42.4903 -85.654 -83.4979 300.436 -77.802 67.7511 23.9573 247.411 PRESSAVG: 350800 -17.3761 -80.1195 75.007 -80.1195 -36.4102 -19.3339 75.007 -19.334 -1.80944 GPRESSAVG: 350800 -18.617 -79.3014 75.2503 -82.2155 -36.7405 -19.4906 75.8727 -19.5632 -0.0704877 TIMING: 350800 CPU: 1103.59, 0.00313484/step Wall: 1103.59, 0.00313484/step, 4.04847 hours remaining, 236.343750 MB of memory in use. ENERGY: 350800 3907.6756 20422.7464 14502.5463 240.4180 -202832.4235 2264.1948 0.0000 0.0000 52392.0228 -109102.8197 301.0977 -161494.8425 -108730.0040 299.1453 148.3538 173.1921 765083.5361 -18.5319 -18.4760 PRESSURE: 351000 146.132 -204.836 7.9119 -204.836 247.49 -224.901 7.91205 -224.901 -244.471 GPRESSURE: 351000 230.305 -154.768 -11.9142 -255.729 231.696 -146.874 0.743475 -341.02 -225.915 PRESSAVG: 351000 3.78665 -45.9756 0.798114 -45.9756 -13.0132 18.6012 0.798048 18.6011 7.54979 GPRESSAVG: 351000 4.37299 -45.6682 1.5264 -45.5986 -12.681 18.757 -1.11965 17.1603 6.4788 TIMING: 351000 CPU: 1104.22, 0.00312827/step Wall: 1104.22, 0.00312827/step, 4.03981 hours remaining, 236.343750 MB of memory in use. ENERGY: 351000 3920.3096 20507.9738 14469.1957 242.7802 -203515.3398 2899.8199 0.0000 0.0000 52103.0624 -109372.1982 299.4370 -161475.2606 -109009.2087 298.9934 49.7172 78.6952 763283.8175 -0.5589 -0.6097 PRESSURE: 351200 -330.428 -137.875 270.658 -137.875 -393.357 359.154 270.657 359.154 44.901 GPRESSURE: 351200 -408.083 -76.6716 237.66 -17.2224 -301.711 335.36 255.065 342.288 114.167 PRESSAVG: 351200 1.28179 -32.6257 58.2859 -32.6257 -14.456 15.7932 58.286 15.7934 -14.6996 GPRESSAVG: 351200 1.10532 -32.3026 57.2115 -31.8061 -14.1666 13.5414 57.8659 17.4588 -14.3669 TIMING: 351200 CPU: 1104.84, 0.00310924/step Wall: 1104.84, 0.00310924/step, 4.01506 hours remaining, 236.343750 MB of memory in use. ENERGY: 351200 4007.6725 20419.1834 14494.1617 268.3846 -203240.6815 2821.0727 0.0000 0.0000 51915.4133 -109314.7933 298.3586 -161230.2065 -108950.7186 298.8003 -226.2946 -198.5422 763054.6524 -9.2913 -9.1427 PRESSURE: 351400 -160.453 45.6356 -46.2248 45.6352 -32.9212 -96.0171 -46.2241 -96.016 361.217 GPRESSURE: 351400 -99.9076 44.4326 -51.7892 7.86704 -12.0066 -111.479 -116.259 -29.6597 377.176 PRESSAVG: 351400 32.3061 -34.0253 13.2085 -34.0252 -12.6235 -23.1085 13.2084 -23.1085 20.4742 GPRESSAVG: 351400 32.0056 -34.4559 15.1046 -34.0431 -13.0122 -22.5497 14.2905 -24.4611 21.2775 TIMING: 351400 CPU: 1105.47, 0.00313722/step Wall: 1105.47, 0.00313722/step, 4.05102 hours remaining, 236.343750 MB of memory in use. ENERGY: 351400 3977.0842 20462.7892 14514.4215 248.3370 -203246.2817 2562.0530 0.0000 0.0000 51999.0087 -109482.5880 298.8390 -161481.5967 -109121.6310 299.3676 55.9476 88.4207 761670.8013 13.3856 13.4236 PRESSURE: 351600 -155.302 -251.545 -150.334 -251.546 -145.709 -106.484 -150.334 -106.483 186.226 GPRESSURE: 351600 -150.796 -243.358 -142.068 -122.782 -87.9987 -141.983 -26.3766 -43.0333 197.503 PRESSAVG: 351600 -25.317 -5.92204 -41.2444 -5.92202 -23.4356 30.2465 -41.2443 30.2465 -11.541 GPRESSAVG: 351600 -24.0691 -4.38099 -43.2958 -8.84165 -23.8344 30.4825 -40.1908 31.0329 -12.445 TIMING: 351600 CPU: 1106.1, 0.00314233/step Wall: 1106.1, 0.00314233/step, 4.05745 hours remaining, 236.343750 MB of memory in use. ENERGY: 351600 3975.6135 20519.3928 14382.8432 234.6249 -203437.4815 2670.4788 0.0000 0.0000 52223.9009 -109430.6274 300.1315 -161654.5283 -109069.3156 299.2668 -38.2616 -13.7639 762001.8189 -20.0979 -20.1162 PRESSURE: 351800 -131.328 9.04166 -24.2543 9.0415 -464.493 -46.9987 -24.2535 -46.9996 -225.531 GPRESSURE: 351800 -123.497 112.517 -41.0965 5.74647 -328.08 -109.803 -28.7904 -177.345 -307.881 PRESSAVG: 351800 25.2146 27.8569 -30.6949 27.8569 -13.6168 -53.8167 -30.6948 -53.8168 16.911 GPRESSAVG: 351800 23.9936 25.1202 -30.1696 31.4933 -12.4995 -53.6309 -30.5487 -52.7142 16.5275 TIMING: 351800 CPU: 1106.73, 0.00315676/step Wall: 1106.73, 0.00315676/step, 4.0759 hours remaining, 236.343750 MB of memory in use. ENERGY: 351800 3999.0362 20465.6762 14498.7804 232.5919 -203159.6661 2370.1184 0.0000 0.0000 52173.5855 -109419.8776 299.8423 -161593.4630 -109053.3492 299.2398 -273.7840 -253.1527 762705.8603 9.5029 9.3405 PRESSURE: 352000 59.4899 11.6926 -383.202 11.6931 -207.353 46.9608 -383.201 46.9604 101.587 GPRESSURE: 352000 136.944 -95.3917 -413.743 -57.0383 -237.754 -49.2288 -421.077 140.497 116.815 PRESSAVG: 352000 46.0795 33.3185 -34.2865 33.3185 -36.7965 7.12381 -34.2865 7.12375 -20.6384 GPRESSAVG: 352000 46.3971 34.6245 -35.0158 31.0626 -36.9978 7.13495 -35.6679 5.84943 -20.5346 TIMING: 352000 CPU: 1107.35, 0.00313387/step Wall: 1107.35, 0.00313387/step, 4.04618 hours remaining, 236.343750 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: 352000 3968.5320 20678.1402 14515.0659 245.1257 -203739.4747 2877.6901 0.0000 0.0000 52066.4843 -109388.4366 299.2268 -161454.9209 -109019.1344 299.3388 -15.4254 5.3349 761983.9246 -3.7852 -3.7118 PRESSURE: 352200 -79.552 54.7044 -25.3504 54.7042 186.138 279.594 -25.3515 279.593 34.1523 GPRESSURE: 352200 -67.1469 106.448 54.3747 90.798 168.782 243.797 -5.72156 346.275 121.315 PRESSAVG: 352200 19.6884 -1.7421 19.0363 -1.7421 -40.7297 -17.7772 19.0363 -17.7772 -7.41667 GPRESSAVG: 352200 18.7668 -1.6574 21.7153 -0.769648 -40.5939 -16.3223 17.5584 -17.6796 -6.75777 TIMING: 352200 CPU: 1107.98, 0.00313357/step Wall: 1107.98, 0.00313357/step, 4.04562 hours remaining, 236.343750 MB of memory in use. ENERGY: 352200 3960.9677 20561.9673 14556.4279 235.7002 -203468.7560 2823.0240 0.0000 0.0000 52076.6374 -109254.0315 299.2852 -161330.6689 -108900.8050 299.7393 46.9128 74.3165 763695.1136 -9.4860 -9.5283 LDB: ============= START OF LOAD BALANCING ============== 1120.43 LDB: ============== END OF LOAD BALANCING =============== 1120.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1120.43 LDB: ============= START OF LOAD BALANCING ============== 1120.75 LDB: Largest compute 7076 load 0.035249 is 18.1% of average load 0.194850 LDB: Average compute 0.004381 is 2.2% of average load 0.194850 LDB: TIME 1120.75 LOAD: AVG 0.19485 MAX 0.21144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1120.75 LOAD: AVG 0.19485 MAX 0.21144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: TIME 1120.75 LOAD: AVG 0.19485 MAX 0.21144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.105 MB LDB: ============== END OF LOAD BALANCING =============== 1120.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1120.76 PRESSURE: 352400 -425.423 35.6225 9.58168 35.6229 -259.488 15.1756 9.58187 15.1745 -208.829 GPRESSURE: 352400 -394.533 -49.8533 -60.746 36.2046 -273.403 55.1981 19.7147 -31.3896 -141.134 PRESSAVG: 352400 17.5786 -22.299 13.2208 -22.299 -19.8639 35.2874 13.2209 35.2874 5.80666 GPRESSAVG: 352400 17.8119 -21.1603 11.3831 -21.9789 -19.4603 34.0627 15.9589 34.1853 5.76422 TIMING: 352400 CPU: 1108.62, 0.00320468/step Wall: 1108.62, 0.00320468/step, 4.13724 hours remaining, 234.996094 MB of memory in use. ENERGY: 352400 4006.2667 20504.7828 14499.5385 258.1705 -203241.4349 2482.1593 0.0000 0.0000 52071.7641 -109418.7530 299.2571 -161490.5170 -109052.7913 299.3088 -297.9133 -269.6901 762853.1193 1.1738 1.3719 PRESSURE: 352600 102.879 -109.602 -261.29 -109.602 104.838 -1.2912 -261.29 -1.29017 136.128 GPRESSURE: 352600 73.7024 -94.5504 -275.013 -95.3434 101.53 -41.1886 -222.825 -46.6243 251.611 PRESSAVG: 352600 -40.9718 -19.5111 -16.6218 -19.5111 43.7425 -13.0927 -16.6219 -13.0927 10.2375 GPRESSAVG: 352600 -40.4913 -19.5625 -16.2564 -20.8055 42.2266 -12.3047 -17.9367 -13.1474 10.5038 TIMING: 352600 CPU: 1109.25, 0.00311969/step Wall: 1109.25, 0.00311969/step, 4.02735 hours remaining, 234.996094 MB of memory in use. ENERGY: 352600 3962.0552 20354.0940 14534.8184 256.4566 -203221.6173 2652.1738 0.0000 0.0000 52023.2210 -109438.7983 298.9782 -161462.0193 -109068.9925 299.1808 114.6154 142.2811 762572.2230 4.3361 4.0797 PRESSURE: 352800 -390.241 -20.9678 384.908 -20.967 19.863 -149.371 384.906 -149.371 -351.528 GPRESSURE: 352800 -311.339 -101.483 433.348 -78.5204 8.32155 -66.9886 324.086 -111.646 -330.524 PRESSAVG: 352800 15.0911 -4.17469 -5.75554 -4.17469 -24.5665 -2.47758 -5.75558 -2.47756 -2.20749 GPRESSAVG: 352800 15.2702 -5.52017 -7.18305 -1.63012 -23.4006 -2.5562 -4.30425 -0.365273 -3.02589 TIMING: 352800 CPU: 1109.87, 0.00313486/step Wall: 1109.87, 0.00313486/step, 4.04675 hours remaining, 234.996094 MB of memory in use. ENERGY: 352800 3958.5437 20529.9973 14520.4097 246.1327 -203273.3428 2602.8391 0.0000 0.0000 51964.7853 -109450.6350 298.6423 -161415.4203 -109083.5936 298.7167 -240.6355 -211.1803 763066.4355 -3.8943 -3.7188 PRESSURE: 353000 -20.5093 -5.93838 -88.8012 -5.93778 -373.609 -31.6723 -88.802 -31.6731 -293.037 GPRESSURE: 353000 -40.0178 -79.786 -143.71 15.3837 -346.114 -136.054 -65.6571 53.4047 -219.231 PRESSAVG: 353000 -19.9121 -22.2475 25.3201 -22.2475 17.49 -35.6177 25.3201 -35.6177 -10.3173 GPRESSAVG: 353000 -18.4469 -22.3519 27.8229 -23.3901 16.8973 -35.5904 23.3925 -37.494 -10.4487 TIMING: 353000 CPU: 1110.5, 0.00311693/step Wall: 1110.5, 0.00311693/step, 4.02344 hours remaining, 234.996094 MB of memory in use. ENERGY: 353000 4019.4865 20497.3502 14575.4674 248.6386 -203639.2046 2730.9895 0.0000 0.0000 52070.8716 -109496.4007 299.2520 -161567.2723 -109142.1474 299.1033 -229.0518 -201.7874 762660.2081 -4.2465 -3.9994 PRESSURE: 353200 -444.314 -111.355 -190.803 -111.355 -457.859 -58.1739 -190.803 -58.1737 -117.809 GPRESSURE: 353200 -397.553 -37.5112 -191.116 -180.022 -356.341 -147.011 -81.9786 -66.7319 -184.54 PRESSAVG: 353200 -86.1407 -30.654 -3.94207 -30.6541 57.6268 7.84493 -3.9421 7.84479 10.7207 GPRESSAVG: 353200 -86.7884 -30.1796 -5.91677 -31.1082 59.1997 6.782 -1.91209 11.3329 9.88939 TIMING: 353200 CPU: 1111.12, 0.00312213/step Wall: 1111.12, 0.00312213/step, 4.02998 hours remaining, 234.996094 MB of memory in use. ENERGY: 353200 4028.1474 20578.4950 14510.4950 234.0879 -202875.2133 2179.7287 0.0000 0.0000 51901.0928 -109443.1666 298.2763 -161344.2594 -109073.7679 298.9796 -339.9936 -312.8111 762911.9940 -5.9311 -5.8998 PRESSURE: 353400 -88.4667 -151.244 136.914 -151.244 -226.854 40.9286 136.914 40.928 217.647 GPRESSURE: 353400 7.59734 -106.454 184.282 -159.622 -197.02 47.0321 42.6101 -140.469 155.815 PRESSAVG: 353400 -64.3522 -54.7026 -65.3518 -54.7026 46.4602 3.17776 -65.3518 3.17769 -4.46358 GPRESSAVG: 353400 -64.0863 -54.5181 -65.8517 -52.638 45.9834 2.48341 -64.9333 -0.00676664 -4.23466 TIMING: 353400 CPU: 1111.75, 0.00313033/step Wall: 1111.75, 0.00313033/step, 4.04038 hours remaining, 234.996094 MB of memory in use. ENERGY: 353400 4025.8877 20684.8937 14510.0944 242.5978 -203475.9499 2563.6140 0.0000 0.0000 52059.1145 -109389.7478 299.1844 -161448.8623 -109039.9965 298.9289 -32.5578 -11.2024 761535.2986 -7.4519 -7.4459 PRESSURE: 353600 162.15 -22.6828 53.7324 -22.6826 351.405 -67.4844 53.732 -67.4846 -58.3978 GPRESSURE: 353600 180.258 89.436 45.0707 -135.997 354.177 15.2434 42.2115 -51.9957 -0.570281 PRESSAVG: 353600 12.3006 -58.369 -50.2738 -58.369 -26.3736 3.65035 -50.2738 3.65028 -3.3909 GPRESSAVG: 353600 11.6904 -59.1764 -49.7306 -59.5117 -27.1299 4.24051 -51.4385 3.44957 -1.80905 TIMING: 353600 CPU: 1112.38, 0.00314326/step Wall: 1112.38, 0.00314326/step, 4.0569 hours remaining, 234.996094 MB of memory in use. ENERGY: 353600 3930.6989 20652.8188 14527.0961 248.4193 -203718.0965 2895.7901 0.0000 0.0000 52018.6244 -109444.6489 298.9517 -161463.2733 -109086.8595 299.6376 151.7193 177.9550 761450.8123 -5.8213 -5.7495 PRESSURE: 353800 -284.45 -191.079 -177.64 -191.079 -224.663 117.12 -177.64 117.12 47.204 GPRESSURE: 353800 -173.475 -156.473 -205.519 -66.0096 -269.566 137.789 -168.852 76.2743 48.0381 PRESSAVG: 353800 14.2575 -51.8577 -24.2744 -51.8577 4.13904 11.4712 -24.2743 11.4712 19.1198 GPRESSAVG: 353800 13.5574 -52.2945 -24.8399 -50.7366 6.31368 12.3307 -24.5886 11.7175 17.3216 TIMING: 353800 CPU: 1113, 0.00311983/step Wall: 1113, 0.00311983/step, 4.02649 hours remaining, 234.996094 MB of memory in use. ENERGY: 353800 3971.9393 20717.1491 14540.6796 249.0699 -203459.7204 2655.1199 0.0000 0.0000 51986.6490 -109339.1135 298.7680 -161325.7625 -108980.9478 299.3783 -153.9698 -131.6676 761414.7144 12.5054 12.3976 PRESSURE: 354000 -60.5251 67.4829 -46.6709 67.4819 -156.404 236.25 -46.6712 236.251 -180.03 GPRESSURE: 354000 22.7703 -6.3106 -71.1914 91.827 -137.448 335.657 10.2695 -76.3718 -196.912 PRESSAVG: 354000 -14.1617 -60.0631 11.0925 -60.0631 14.4641 40.0859 11.0925 40.0859 3.14983 GPRESSAVG: 354000 -13.2937 -58.8439 10.5866 -62.1852 12.7488 41.5102 11.969 39.0881 3.97949 TIMING: 354000 CPU: 1113.62, 0.00312329/step Wall: 1113.62, 0.00312329/step, 4.03078 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 3942.4212 20586.2139 14570.1817 233.5474 -203557.3207 2707.7423 0.0000 0.0000 51988.8456 -109528.3685 298.7806 -161517.2141 -109159.2173 299.1818 -132.3197 -103.8632 762780.4781 1.1507 1.1448 PRESSURE: 354200 135.004 3.34475 -68.2647 3.34416 29.6491 40.7129 -68.264 40.7135 305.877 GPRESSURE: 354200 76.5461 34.6036 -87.663 37.599 91.5004 86.1969 -112.77 130.117 376.42 PRESSAVG: 354200 60.7019 6.47862 -70.5936 6.4786 -14.7195 -3.90636 -70.5936 -3.90637 -11.7893 GPRESSAVG: 354200 61.7688 6.8689 -70.6944 7.43301 -13.7502 -6.3617 -70.4455 -2.05058 -13.7666 TIMING: 354200 CPU: 1114.25, 0.00312282/step Wall: 1114.25, 0.00312282/step, 4.03 hours remaining, 234.996094 MB of memory in use. ENERGY: 354200 3936.4738 20688.5167 14455.1439 241.4765 -203566.4648 2732.2950 0.0000 0.0000 52101.6930 -109410.8660 299.4291 -161512.5590 -109052.1685 299.1039 156.8434 181.4889 761922.5247 11.3977 11.4173 PRESSURE: 354400 -51.4491 -111.263 -229.863 -111.263 -290.925 306.482 -229.864 306.482 -191.36 GPRESSURE: 354400 -87.9994 -212.526 -223.849 -91.7306 -182.053 220.76 -112.434 365.02 -184.984 PRESSAVG: 354400 -11.8804 19.0015 -14.1695 19.0015 10.7585 -16.1576 -14.1695 -16.1576 24.5508 GPRESSAVG: 354400 -11.4509 19.0277 -12.996 18.7413 9.37229 -15.361 -15.3257 -16.8804 25.2669 TIMING: 354400 CPU: 1114.87, 0.00312303/step Wall: 1114.87, 0.00312303/step, 4.0301 hours remaining, 234.996094 MB of memory in use. ENERGY: 354400 3954.9799 20449.7297 14510.6364 255.8086 -202962.3302 2480.6629 0.0000 0.0000 51733.0318 -109577.4809 297.3104 -161310.5127 -109204.9491 298.7820 -177.9112 -151.6789 763669.2849 7.8096 7.7294 PRESSURE: 354600 46.7844 -107.068 142.753 -107.067 -68.5861 -32.7537 142.754 -32.7546 397.819 GPRESSURE: 354600 31.4654 -96.9506 152.898 -137.849 -0.793433 -64.0794 117.301 41.4633 415.476 PRESSAVG: 354600 -4.31433 -18.9872 -23.0746 -18.9873 25.1615 -3.64089 -23.0746 -3.64091 -3.33785 GPRESSAVG: 354600 -4.91213 -19.3139 -25.4914 -21.8762 25.4965 -4.0087 -22.1789 -0.507358 -3.87621 TIMING: 354600 CPU: 1115.5, 0.00313741/step Wall: 1115.5, 0.00313741/step, 4.04848 hours remaining, 234.996094 MB of memory in use. ENERGY: 354600 4018.3417 20502.5777 14447.1018 259.4726 -203403.5311 2564.8789 0.0000 0.0000 52066.3398 -109544.8188 299.2260 -161611.1586 -109175.0080 298.8997 125.3391 148.7160 761791.7330 5.8364 5.5694 PRESSURE: 354800 -17.77 -213.256 -25.9186 -213.256 -448.495 -207.224 -25.9187 -207.224 -506.882 GPRESSURE: 354800 -105.349 -171.692 0.611863 -258.213 -326.988 -174.365 -32.5391 -131.392 -429.621 PRESSAVG: 354800 7.92233 -34.7021 0.156838 -34.7021 -19.4354 22.7341 0.15684 22.7341 0.859452 GPRESSAVG: 354800 5.78188 -33.8722 1.4353 -32.1443 -17.6118 24.0892 -0.0306563 20.664 1.9952 TIMING: 354800 CPU: 1116.13, 0.0031403/step Wall: 1116.13, 0.0031403/step, 4.05204 hours remaining, 234.996094 MB of memory in use. ENERGY: 354800 4063.5294 20570.9814 14547.2382 234.7653 -203427.5684 2419.1287 0.0000 0.0000 51907.7821 -109684.1433 298.3147 -161591.9254 -109318.2424 298.8418 -324.3824 -287.3193 761949.6006 -3.5512 -3.2782 PRESSURE: 355000 -161.025 -96.7915 -96.4692 -96.7923 134.611 31.08 -96.4697 31.0781 -193.097 GPRESSURE: 355000 -84.7803 -79.8895 -112.515 -98.7847 109.562 -20.5057 -85.0779 32.3014 -145.185 PRESSAVG: 355000 17.8303 -28.815 -3.69368 -28.8151 -30.1453 26.6967 -3.69371 26.6966 -37.0112 GPRESSAVG: 355000 18.8797 -28.6007 -3.00578 -30.5538 -30.7103 26.2307 -5.31681 26.0055 -37.0168 TIMING: 355000 CPU: 1116.76, 0.00315745/step Wall: 1116.76, 0.00315745/step, 4.07398 hours remaining, 234.996094 MB of memory in use. ENERGY: 355000 4006.2763 20520.6362 14529.2225 224.7895 -203756.3101 2732.3123 0.0000 0.0000 52081.1967 -109661.8766 299.3114 -161743.0733 -109298.4393 298.9571 -73.1703 -40.1342 762718.7050 -16.4421 -16.2825 PRESSURE: 355200 15.8463 -165.164 90.7851 -165.164 202.493 137.103 90.785 137.103 -30.5043 GPRESSURE: 355200 112.895 -107.494 121.91 -74.595 155.81 156.59 88.721 78.798 11.7389 PRESSAVG: 355200 12.1611 -55.6763 12.2614 -55.6763 0.0786025 41.5112 12.2613 41.5112 -11.1938 GPRESSAVG: 355200 12.386 -56.5018 10.4654 -54.8524 -0.879235 43.3942 14.2437 40.6397 -10.8047 TIMING: 355200 CPU: 1117.39, 0.00316466/step Wall: 1117.39, 0.00316466/step, 4.08311 hours remaining, 234.996094 MB of memory in use. ENERGY: 355200 3923.6819 20570.2425 14473.1513 249.4489 -203370.2387 2519.2305 0.0000 0.0000 52073.9435 -109560.5401 299.2697 -161634.4836 -109198.3179 298.6227 62.6115 93.4812 759919.3040 0.3486 0.2340 PRESSURE: 355400 -134.108 -66.6378 34.5694 -66.6374 49.7972 119.117 34.5702 119.117 49.1461 GPRESSURE: 355400 -48.3403 -33.2429 13.9442 -15.339 13.2488 77.5184 27.4875 130.825 73.3231 PRESSAVG: 355400 -52.6506 -56.4824 9.86968 -56.4824 34.027 36.8025 9.86973 36.8025 29.8619 GPRESSAVG: 355400 -52.8958 -56.5034 11.7853 -54.9115 33.5949 36.3072 8.89415 38.0812 30.1415 TIMING: 355400 CPU: 1118.02, 0.00314613/step Wall: 1118.02, 0.00314613/step, 4.05903 hours remaining, 234.996094 MB of memory in use. ENERGY: 355400 4010.3202 20578.1612 14470.4757 248.1422 -203824.5265 2670.5807 0.0000 0.0000 52210.7476 -109636.0989 300.0559 -161846.8465 -109270.5748 298.6786 -11.7217 12.7439 761390.9633 3.7461 3.6135 PRESSURE: 355600 -118.069 -67.7666 105.673 -67.7656 363.144 -77.8876 105.673 -77.8878 -118.814 GPRESSURE: 355600 -43.1046 -223.975 82.9294 -157.043 369.01 19.8914 123.465 -86.1856 -126.216 PRESSAVG: 355600 -31.2745 -49.3045 -53.295 -49.3045 9.13241 -0.36697 -53.2951 -0.366993 13.6458 GPRESSAVG: 355600 -32.086 -50.2699 -54.668 -49.4052 10.8445 1.1566 -54.1994 -0.637076 12.2479 TIMING: 355600 CPU: 1118.65, 0.00314385/step Wall: 1118.65, 0.00314385/step, 4.05592 hours remaining, 234.996094 MB of memory in use. ENERGY: 355600 3902.8932 20539.4097 14523.2230 263.1408 -203383.8781 2572.1943 0.0000 0.0000 52034.5759 -109548.4411 299.0434 -161583.0170 -109180.8622 298.8240 42.0871 66.5632 762128.8245 -2.8321 -2.9978 PRESSURE: 355800 60.9699 -223.093 34.4646 -223.094 153.995 48.5481 34.465 48.5472 -176.89 GPRESSURE: 355800 171.454 -179.695 65.0333 -119.593 112.094 103.642 142.427 -175.701 -141.763 PRESSAVG: 355800 4.79085 -66.8782 -6.02236 -66.8782 -20.1791 54.0767 -6.02234 54.0767 -10.5308 GPRESSAVG: 355800 4.15955 -67.5931 -6.08213 -67.2732 -21.9633 52.4203 -3.7472 50.6486 -8.38906 TIMING: 355800 CPU: 1119.29, 0.0031738/step Wall: 1119.29, 0.00317379/step, 4.09437 hours remaining, 234.996094 MB of memory in use. ENERGY: 355800 3994.6918 20342.8480 14493.8278 221.2496 -203240.8014 2486.2656 0.0000 0.0000 52266.0913 -109435.8274 300.3739 -161701.9187 -109059.4864 298.8611 12.6917 47.2616 762737.5214 -8.6397 -8.7309 PRESSURE: 356000 126.983 -54.0288 -85.6057 -54.0291 352.107 -91.2356 -85.6063 -91.2366 54.7352 GPRESSURE: 356000 167.738 94.7112 -136.961 -283.217 367.412 -79.4273 -139.253 -94.3468 89.9457 PRESSAVG: 356000 12.9306 -52.6974 1.21125 -52.6974 9.68752 23.9392 1.21132 23.9392 -10.791 GPRESSAVG: 356000 14.13 -50.957 2.42803 -53.8548 9.83426 24.4105 0.359719 26.1682 -11.776 TIMING: 356000 CPU: 1119.92, 0.00316731/step Wall: 1119.92, 0.00316731/step, 4.08583 hours remaining, 234.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 3880.5633 20568.2808 14530.8495 226.9736 -203549.0447 2607.9787 0.0000 0.0000 52243.9034 -109490.4954 300.2464 -161734.3988 -109107.6512 299.1662 177.9420 208.3653 760779.6345 3.9424 4.0627 PRESSURE: 356200 28.6286 -55.1668 -132.268 -55.1673 33.9856 160.434 -132.268 160.434 105.299 GPRESSURE: 356200 46.7341 20.4691 -60.8369 -42.9769 11.1858 95.5981 -110.951 103.368 194.646 PRESSAVG: 356200 -15.2991 -48.6364 12.8574 -48.6365 4.11463 15.1502 12.8574 15.1503 -17.6147 GPRESSAVG: 356200 -14.5948 -47.8639 10.5496 -48.8729 3.88167 14.0875 15.5056 18.0302 -18.116 TIMING: 356200 CPU: 1120.55, 0.00315819/step Wall: 1120.55, 0.00315819/step, 4.07389 hours remaining, 234.996094 MB of memory in use. ENERGY: 356200 3979.4169 20674.0951 14553.6608 263.0639 -203630.4899 2717.3437 0.0000 0.0000 52046.5011 -109396.4084 299.1120 -161442.9095 -109048.1397 299.1499 55.9711 84.1887 761789.2367 -9.5997 -9.6097 LDB: ============= START OF LOAD BALANCING ============== 1133 LDB: ============== END OF LOAD BALANCING =============== 1133 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1133 LDB: ============= START OF LOAD BALANCING ============== 1133.32 LDB: Largest compute 7026 load 0.034536 is 17.7% of average load 0.194839 LDB: Average compute 0.004392 is 2.3% of average load 0.194839 LDB: TIME 1133.32 LOAD: AVG 0.194839 MAX 0.213918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.277 MB LDB: TIME 1133.32 LOAD: AVG 0.194839 MAX 0.213918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 1133.32 LOAD: AVG 0.194839 MAX 0.213918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 1133.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1133.33 PRESSURE: 356400 256.532 131.202 157.486 131.202 28.6136 -119.829 157.485 -119.829 173.522 GPRESSURE: 356400 245.078 105.265 115.768 77.6313 138.045 -67.9959 148.698 -131.045 184.455 PRESSAVG: 356400 -63.8163 -15.4704 5.71686 -15.4705 14.1146 5.02975 5.71682 5.02974 19.8918 GPRESSAVG: 356400 -65.6095 -17.5448 6.45339 -14.1107 15.8834 5.37437 3.94114 3.40143 19.9097 TIMING: 356400 CPU: 1121.19, 0.00321381/step Wall: 1121.19, 0.00321381/step, 4.14546 hours remaining, 234.792969 MB of memory in use. ENERGY: 356400 3927.0483 20541.9213 14483.6250 234.4398 -203648.9519 2742.0716 0.0000 0.0000 52200.0887 -109519.7572 299.9946 -161719.8459 -109152.9605 299.0139 152.8891 189.1927 760396.5342 -9.9366 -9.9388 PRESSURE: 356600 241.226 52.6997 5.93102 52.6994 97.39 98.7363 5.93084 98.7353 536.67 GPRESSURE: 356600 264.665 76.4573 -61.5097 112.96 154.062 38.7822 90.6089 27.8825 536.233 PRESSAVG: 356600 11.9192 13.5196 -0.278252 13.5196 7.83003 -17.1697 -0.278229 -17.1697 -18.9872 GPRESSAVG: 356600 13.406 13.7594 -0.817287 13.4891 6.57839 -18.3745 -0.984458 -16.5391 -19.6457 TIMING: 356600 CPU: 1121.82, 0.0031176/step Wall: 1121.82, 0.0031176/step, 4.02119 hours remaining, 234.792969 MB of memory in use. ENERGY: 356600 3931.1128 20497.2901 14499.5961 252.8873 -203621.8254 2892.8169 0.0000 0.0000 51828.5412 -109719.5812 297.8593 -161548.1224 -109357.1266 298.7165 291.7622 318.3204 761119.7472 0.2540 0.1129 PRESSURE: 356800 128.797 -6.21357 236.18 -6.21367 13.5833 -169.714 236.18 -169.715 59.9104 GPRESSURE: 356800 169.208 27.885 226.5 -11.6921 0.555007 -190.712 195.937 -50.7622 115.889 PRESSAVG: 356800 65.3217 -20.2704 6.32643 -20.2704 -32.7607 -33.8857 6.3264 -33.8858 8.84814 GPRESSAVG: 356800 64.4305 -20.9979 6.95411 -18.9801 -32.9779 -33.6284 6.49612 -34.3061 9.56827 TIMING: 356800 CPU: 1122.44, 0.00311856/step Wall: 1122.44, 0.00311856/step, 4.02224 hours remaining, 234.792969 MB of memory in use. ENERGY: 356800 3952.9269 20410.8878 14467.2254 225.9685 -203287.4479 2621.2543 0.0000 0.0000 52052.7166 -109556.4684 299.1477 -161609.1850 -109199.6401 298.6440 67.4304 95.2173 760928.0851 13.8030 13.6736 PRESSURE: 357000 74.2369 -4.82664 -85.9707 -4.82667 78.3186 -60.5848 -85.9712 -60.5829 -307.644 GPRESSURE: 357000 154.508 -22.6092 -106.031 4.4905 -18.5186 -10.2491 -148.623 -63.7191 -219.625 PRESSAVG: 357000 49.0045 21.5133 -26.0163 21.5133 -49.1893 -13.8104 -26.0163 -13.8104 -6.90659 GPRESSAVG: 357000 49.6607 23.3498 -26.4674 20.0464 -49.4894 -13.3897 -27.1673 -12.4219 -7.11679 TIMING: 357000 CPU: 1123.07, 0.00315135/step Wall: 1123.07, 0.00315135/step, 4.06437 hours remaining, 234.792969 MB of memory in use. ENERGY: 357000 4035.9905 20561.3180 14532.2769 226.8088 -203284.2963 2591.6004 0.0000 0.0000 51720.0636 -109616.2381 297.2359 -161336.3017 -109257.6559 298.5709 -51.6962 -27.8783 762734.3757 -2.3638 -2.3152 PRESSURE: 357200 -76.8315 -154.638 22.8724 -154.639 -149.197 219.885 22.8725 219.885 -246.937 GPRESSURE: 357200 -69.2559 -194.522 -5.10247 -155.844 -99.1429 263.594 104.891 241.414 -228.1 PRESSAVG: 357200 32.7734 -16.0434 7.87656 -16.0434 -22.4517 -22.7861 7.87659 -22.7861 7.66004 GPRESSAVG: 357200 31.8471 -15.3465 6.73673 -14.8178 -20.5363 -22.8603 9.6005 -23.3707 6.66311 TIMING: 357200 CPU: 1123.7, 0.00315961/step Wall: 1123.7, 0.00315961/step, 4.07484 hours remaining, 234.792969 MB of memory in use. ENERGY: 357200 3932.3336 20420.4070 14528.7385 244.5385 -203109.9072 2361.3445 0.0000 0.0000 51853.6869 -109768.8581 298.0039 -161622.5450 -109402.6804 298.5136 -157.6551 -132.1664 760329.5305 5.9939 5.9913 PRESSURE: 357400 85.0227 130.262 215.056 130.262 -57.6583 -5.74341 215.056 -5.74306 2.17622 GPRESSURE: 357400 120.786 66.3695 182.807 147.309 -50.6352 -8.476 174.831 -58.9655 55.2668 PRESSAVG: 357400 -31.2177 2.72842 -7.48006 2.72843 -0.219172 -9.16266 -7.4801 -9.16273 -17.5145 GPRESSAVG: 357400 -29.6208 0.52855 -6.7538 2.36284 -2.49698 -7.31565 -7.96794 -10.9041 -16.6171 TIMING: 357400 CPU: 1124.33, 0.00314093/step Wall: 1124.33, 0.00314093/step, 4.05058 hours remaining, 234.792969 MB of memory in use. ENERGY: 357400 3985.6755 20587.5242 14492.2229 244.0143 -203325.8791 2437.0928 0.0000 0.0000 51849.2057 -109730.1438 297.9781 -161579.3495 -109384.1368 298.4003 9.8469 41.8059 761755.6944 -16.3171 -16.2450 PRESSURE: 357600 202.063 147.688 -34.7696 147.688 356.564 -10.4984 -34.7697 -10.4965 -301.241 GPRESSURE: 357600 167.671 161.741 -79.1859 77.6855 475.423 -17.0554 134.47 -35.8492 -276.535 PRESSAVG: 357600 -29.4515 -46.9531 1.52508 -46.9531 50.9673 -22.7663 1.52505 -22.7662 -3.12233 GPRESSAVG: 357600 -29.5671 -44.3672 0.334142 -47.871 52.5249 -25.4126 1.91109 -21.0148 -3.90673 TIMING: 357600 CPU: 1124.96, 0.00312754/step Wall: 1124.96, 0.00312754/step, 4.03314 hours remaining, 234.792969 MB of memory in use. ENERGY: 357600 3987.2717 20315.3587 14484.5045 264.6528 -203682.2046 2882.0870 0.0000 0.0000 51956.8388 -109791.4910 298.5967 -161748.3298 -109433.9967 298.2982 85.7952 122.1864 760324.1384 6.1312 6.3504 PRESSURE: 357800 -231.367 106.312 109.597 106.311 102.268 -161.58 109.596 -161.579 -167.688 GPRESSURE: 357800 -155.659 -13.7232 123.38 -22.1462 85.6766 -131.985 -7.18671 -233.069 -164.337 PRESSAVG: 357800 -38.8649 0.219971 0.918673 0.219955 37.1399 -5.84417 0.918676 -5.84424 -15.5534 GPRESSAVG: 357800 -40.0258 -2.27043 1.57675 1.10549 35.8887 -5.907 -0.302476 -6.0187 -13.3551 TIMING: 357800 CPU: 1125.58, 0.00312959/step Wall: 1125.58, 0.00312959/step, 4.03561 hours remaining, 234.792969 MB of memory in use. ENERGY: 357800 3931.1660 20610.0491 14411.5720 241.1265 -203411.5911 2517.8559 0.0000 0.0000 51813.1301 -109886.6916 297.7708 -161699.8216 -109546.1085 298.1713 -98.9292 -78.1065 762202.4887 -5.7595 -5.8307 PRESSURE: 358000 -93.3376 -51.8956 102.031 -51.8965 443.514 -245.935 102.031 -245.935 233.684 GPRESSURE: 358000 48.0787 -55.7993 154.779 -99.3373 385.747 -213.586 128.083 -227.629 239.688 PRESSAVG: 358000 -31.5859 -31.0232 0.564193 -31.0232 56.4906 6.24427 0.564134 6.24428 -4.27238 GPRESSAVG: 358000 -31.0702 -33.2627 2.38906 -30.9846 56.991 5.95147 1.67715 6.62608 -5.10999 TIMING: 358000 CPU: 1126.21, 0.00313857/step Wall: 1126.21, 0.00313857/step, 4.04701 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: 358000 3970.3837 20394.8173 14487.9021 248.0752 -203403.3009 2715.3088 0.0000 0.0000 51947.0531 -109639.7606 298.5404 -161586.8137 -109273.5701 298.4387 194.6202 224.5048 762030.4136 6.8774 6.9369 PRESSURE: 358200 207.195 119.954 -5.20691 119.955 87.5743 -65.2396 -5.20658 -65.2395 -2.27466 GPRESSURE: 358200 154.47 138.113 -55.6857 87.5601 96.5533 -72.0078 27.6952 -97.2686 112.402 PRESSAVG: 358200 -2.58953 -4.1367 -15.1354 -4.13671 6.14974 37.1362 -15.1353 37.1362 12.1076 GPRESSAVG: 358200 -3.46597 -0.798924 -15.4069 -6.36958 5.83997 40.4426 -15.5899 35.0026 12.8175 TIMING: 358200 CPU: 1126.84, 0.00312562/step Wall: 1126.84, 0.00312563/step, 4.03015 hours remaining, 234.792969 MB of memory in use. ENERGY: 358200 3954.8106 20514.6364 14524.2255 257.9413 -203259.6450 2627.0287 0.0000 0.0000 51905.1713 -109475.8312 298.2997 -161381.0025 -109121.3189 298.5392 97.4981 121.1416 761205.6183 5.2226 5.0638 PRESSURE: 358400 -166.393 177.385 -220.598 177.385 -190.593 -203.226 -220.598 -203.225 190.596 GPRESSURE: 358400 -143.787 285.581 -93.8177 189.299 -125.046 -249.464 -135.087 -204.364 195.702 PRESSAVG: 358400 -13.098 23.0525 -8.25468 23.0525 -3.20466 5.80222 -8.25464 5.8022 -3.01891 GPRESSAVG: 358400 -13.1192 22.9075 -8.26168 25.4872 -2.45489 4.23426 -8.66126 8.15651 -4.32815 TIMING: 358400 CPU: 1127.47, 0.00315582/step Wall: 1127.47, 0.00315582/step, 4.0689 hours remaining, 234.792969 MB of memory in use. ENERGY: 358400 3933.3721 20458.3515 14493.3015 256.1892 -202982.5251 2417.6901 0.0000 0.0000 51958.2715 -109465.3492 298.6049 -161423.6207 -109106.6585 298.7172 -55.4629 -24.3771 762969.9483 -6.4405 -6.6341 PRESSURE: 358600 -14.4233 12.7822 95.7804 12.7826 57.8738 158.086 95.7796 158.087 128.539 GPRESSURE: 358600 82.2741 67.3061 41.5077 37.4011 55.7429 92.061 264.928 78.2686 125.635 PRESSAVG: 358600 7.94154 24.2239 38.586 24.2239 11.0847 5.12294 38.586 5.1229 -13.1211 GPRESSAVG: 358600 8.33541 23.3167 39.0282 24.094 10.0483 3.47284 37.1129 5.01056 -12.5168 TIMING: 358600 CPU: 1128.1, 0.00314151/step Wall: 1128.1, 0.00314151/step, 4.05028 hours remaining, 234.792969 MB of memory in use. ENERGY: 358600 4011.3342 20501.1556 14496.6596 250.0525 -203758.2550 3017.3463 0.0000 0.0000 52008.4669 -109473.2400 298.8934 -161481.7069 -109108.2457 299.1150 57.3298 87.8841 762640.0093 1.9684 1.9556 PRESSURE: 358800 155.827 -3.94731 46.811 -3.94847 26.4773 144.377 46.8118 144.376 -110.195 GPRESSURE: 358800 167.875 69.2848 25.2759 -70.8401 91.3966 170.287 -1.33442 207.663 -105.943 PRESSAVG: 358800 -22.5657 -41.0435 9.02883 -41.0435 -15.5141 -1.33224 9.02887 -1.33222 8.96664 GPRESSAVG: 358800 -23.5824 -39.4671 8.81043 -41.2973 -13.6032 -0.238986 12.4734 -2.41554 8.65074 TIMING: 358800 CPU: 1128.72, 0.00312703/step Wall: 1128.72, 0.00312703/step, 4.03144 hours remaining, 234.792969 MB of memory in use. ENERGY: 358800 4078.6736 20454.5403 14499.1101 259.5693 -203963.0578 3025.6218 0.0000 0.0000 52138.3594 -109507.1834 299.6399 -161645.5428 -109142.1983 299.1872 24.0364 51.1094 761266.9978 -9.7044 -9.5116 PRESSURE: 359000 -270.948 -261.964 -340.135 -261.964 -167.596 -140.867 -340.135 -140.867 200.588 GPRESSURE: 359000 -215.903 -266.785 -353.909 -260.319 -120.522 -30.0444 -286.581 -71.9829 179.434 PRESSAVG: 359000 -44.5771 -13.9886 -30.0017 -13.9886 22.1752 34.5662 -30.0016 34.5661 -7.45098 GPRESSAVG: 359000 -43.2015 -16.094 -30.4935 -15.0705 21.3205 34.1225 -30.8953 36.3801 -7.36101 TIMING: 359000 CPU: 1129.35, 0.00314817/step Wall: 1129.35, 0.00314817/step, 4.05852 hours remaining, 234.792969 MB of memory in use. ENERGY: 359000 3986.6726 20582.8293 14533.1369 255.9891 -203405.7010 2638.7958 0.0000 0.0000 51791.3850 -109616.8923 297.6458 -161408.2773 -109266.1806 299.2401 -79.3188 -52.3304 762382.4637 -9.9509 -9.7473 PRESSURE: 359200 105.898 178.14 -86.215 178.139 -81.4835 -13.512 -86.2149 -13.5128 99.1751 GPRESSURE: 359200 176.485 161.889 -226.824 96.027 -121.805 -63.9976 -148.471 31.9976 151.923 PRESSAVG: 359200 17.1355 14.3954 -54.6978 14.3953 11.4734 -20.0941 -54.6978 -20.094 -15.7389 GPRESSAVG: 359200 16.9776 15.9259 -57.0362 14.8139 11.0001 -19.7064 -54.1063 -20.9216 -15.1252 TIMING: 359200 CPU: 1129.98, 0.00315875/step Wall: 1129.98, 0.00315875/step, 4.07197 hours remaining, 234.792969 MB of memory in use. ENERGY: 359200 3969.0527 20555.5567 14432.5055 241.3035 -203840.4213 3075.3640 0.0000 0.0000 51985.5769 -109581.0621 298.7618 -161566.6389 -109223.8154 298.9168 41.1964 68.8677 762700.1171 4.2900 4.2842 PRESSURE: 359400 -20.3463 0.561894 -149.44 0.5615 60.4598 147.543 -149.441 147.544 158.772 GPRESSURE: 359400 85.8259 47.4005 -163.014 -21.017 61.7294 34.1544 -166.017 272.42 140.942 PRESSAVG: 359400 -20.1775 6.60796 -69.8977 6.60804 2.92032 -17.6923 -69.8978 -17.6923 18.9936 GPRESSAVG: 359400 -19.8536 8.25304 -70.1556 6.39154 2.9688 -18.5343 -69.9327 -17.7486 18.6106 TIMING: 359400 CPU: 1130.61, 0.00315791/step Wall: 1130.61, 0.00315791/step, 4.07072 hours remaining, 234.792969 MB of memory in use. ENERGY: 359400 3951.8047 20383.7623 14414.2436 252.9018 -203782.1946 2858.6357 0.0000 0.0000 52257.1093 -109663.7371 300.3223 -161920.8464 -109298.3406 298.6381 66.2953 96.1659 761267.9078 0.5788 0.5753 PRESSURE: 359600 -50.167 46.1337 -84.4366 46.1337 -685.644 -184.829 -84.4366 -184.83 -82.079 GPRESSURE: 359600 -93.7299 144.741 -121.588 8.63319 -539.607 -150.178 -24.9322 -239.683 -94.1974 PRESSAVG: 359600 54.8095 -33.3411 -16.5152 -33.3411 -18.1061 -25.3228 -16.5152 -25.3228 -7.48409 GPRESSAVG: 359600 54.2833 -36.2901 -15.4022 -30.8413 -16.4206 -23.9732 -17.6628 -25.3906 -8.77238 TIMING: 359600 CPU: 1131.24, 0.00315639/step Wall: 1131.24, 0.00315639/step, 4.06859 hours remaining, 234.792969 MB of memory in use. ENERGY: 359600 4026.5468 20542.8888 14409.8925 236.9513 -203075.8032 2331.6587 0.0000 0.0000 51885.0687 -109642.7963 298.1842 -161527.8650 -109277.0353 299.0774 -272.6301 -242.5114 761022.6050 9.7398 9.6968 PRESSURE: 359800 -260.444 -46.6445 -216.151 -46.6443 -11.995 71.2493 -216.151 71.2489 -285.782 GPRESSURE: 359800 -208.425 -167.758 -174.731 114.807 -42.2162 69.1311 -259.097 66.2734 -223.056 PRESSAVG: 359800 44.3431 -13.7997 23.4244 -13.7996 -26.1769 -29.942 23.4244 -29.9421 34.4294 GPRESSAVG: 359800 44.8242 -14.4604 24.3351 -14.9778 -28.4027 -30.7899 23.7581 -27.9588 35.9331 TIMING: 359800 CPU: 1131.87, 0.00313988/step Wall: 1131.87, 0.00313988/step, 4.04713 hours remaining, 234.792969 MB of memory in use. ENERGY: 359800 3963.8437 20544.9740 14408.9004 249.1413 -203742.3765 2787.2456 0.0000 0.0000 52200.8583 -109587.4131 299.9990 -161788.2714 -109228.5443 298.8592 -186.0734 -157.8991 762435.6313 17.5319 17.4515 PRESSURE: 360000 25.5735 19.5679 -71.8419 19.5685 -52.2859 -23.1087 -71.842 -23.1103 123.593 GPRESSURE: 360000 61.2377 63.9739 -64.377 -120.577 -17.5274 -85.4359 -67.7973 32.964 127.126 PRESSAVG: 360000 38.8788 -64.9557 -7.93344 -64.9557 -20.7384 16.3907 -7.93338 16.3907 3.32506 GPRESSAVG: 360000 39.7253 -64.9197 -9.26655 -65.7437 -20.6191 16.8462 -7.0401 15.7448 2.55065 TIMING: 360000 CPU: 1132.5, 0.00313609/step Wall: 1132.5, 0.00313609/step, 4.04207 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: 360000 4016.5187 20546.1563 14438.1159 227.1267 -203179.7048 2437.3178 0.0000 0.0000 52030.5231 -109483.9463 299.0201 -161514.4694 -109124.3246 298.9226 32.2935 56.9454 760388.8395 7.1552 7.2190 PRESSURE: 360200 263.271 -196.699 2.18555 -196.7 220.759 -87.0222 2.18668 -87.021 289.024 GPRESSURE: 360200 316.199 -169.061 82.9317 -227.167 150.111 -54.539 61.0291 -270.544 373.522 PRESSAVG: 360200 85.1348 -91.6979 20.1372 -91.6979 -16.0831 -72.4342 20.1371 -72.4342 8.01502 GPRESSAVG: 360200 85.1303 -89.398 21.0637 -91.9036 -16.8717 -71.641 22.0039 -76.6173 8.25933 TIMING: 360200 CPU: 1133.13, 0.00313855/step Wall: 1133.13, 0.00313855/step, 4.04507 hours remaining, 234.792969 MB of memory in use. ENERGY: 360200 3971.7008 20580.5931 14369.7345 239.6055 -202942.5270 2431.8776 0.0000 0.0000 51750.6352 -109598.3802 297.4116 -161349.0154 -109243.6763 299.1193 257.6848 279.9441 762668.5156 25.6889 25.5060 LDB: ============= START OF LOAD BALANCING ============== 1145.58 LDB: ============== END OF LOAD BALANCING =============== 1145.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1145.58 LDB: ============= START OF LOAD BALANCING ============== 1145.9 LDB: Largest compute 7060 load 0.034617 is 17.8% of average load 0.194870 LDB: Average compute 0.004401 is 2.3% of average load 0.194870 LDB: TIME 1145.9 LOAD: AVG 0.19487 MAX 0.21094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.074 MB LDB: TIME 1145.9 LOAD: AVG 0.19487 MAX 0.21094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.074 MB LDB: TIME 1145.9 LOAD: AVG 0.19487 MAX 0.21094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.074 MB LDB: ============== END OF LOAD BALANCING =============== 1145.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1145.91 PRESSURE: 360400 310.746 21.2561 128.541 21.2572 -156.367 43.1491 128.54 43.1493 -366.511 GPRESSURE: 360400 302.844 -59.4773 110.64 -18.4886 -112.89 19.6585 96.0881 73.3353 -339.781 PRESSAVG: 360400 22.5569 -19.6271 28.246 -19.6271 -29.169 -60.3417 28.2461 -60.3416 -10.4342 GPRESSAVG: 360400 22.3667 -21.2668 28.0333 -19.5297 -28.2572 -61.1324 26.2799 -58.875 -11.4308 TIMING: 360400 CPU: 1133.77, 0.0032131/step Wall: 1133.77, 0.0032131/step, 4.14098 hours remaining, 235.367188 MB of memory in use. ENERGY: 360400 3931.1073 20414.9185 14480.2274 238.6612 -203460.7397 2759.7318 0.0000 0.0000 51927.5028 -109708.5907 298.4281 -161636.0936 -109335.9990 298.3825 -70.7106 -49.9422 761145.0673 -5.6821 -5.7738 PRESSURE: 360600 -59.0777 -163.168 -81.0679 -163.168 -288.986 -12.897 -81.0676 -12.8966 -296.194 GPRESSURE: 360600 -73.1402 -92.554 -83.6864 -56.4351 -168.098 61.4464 9.8511 -40.8611 -303.247 PRESSAVG: 360600 43.9011 -8.47533 0.750667 -8.47536 -73.3359 -56.7873 0.750662 -56.7872 7.17008 GPRESSAVG: 360600 43.0124 -8.98053 1.01994 -6.56482 -73.219 -57.9027 0.412387 -53.4607 7.70999 TIMING: 360600 CPU: 1134.4, 0.00313274/step Wall: 1134.4, 0.00313274/step, 4.03723 hours remaining, 235.570312 MB of memory in use. ENERGY: 360600 3911.9848 20359.6696 14484.8853 249.4269 -203401.8834 2554.7381 0.0000 0.0000 52053.0105 -109788.1682 299.1494 -161841.1787 -109416.6606 297.9982 -214.7529 -181.4952 761713.1397 -7.4216 -7.4989 PRESSURE: 360800 507.398 141.23 -117.801 141.231 321.355 85.8458 -117.802 85.8455 394.29 GPRESSURE: 360800 555.003 97.3406 -52.9815 184.344 354.626 89.2728 -47.5596 120.072 414.934 PRESSAVG: 360800 -18.9016 39.7547 -9.0013 39.7547 19.8452 11.2577 -9.00129 11.2577 31.1242 GPRESSAVG: 360800 -20.1099 41.0527 -10.2556 38.4158 19.6568 11.9385 -8.10088 9.06921 32.1162 TIMING: 360800 CPU: 1135.02, 0.00311665/step Wall: 1135.02, 0.00311665/step, 4.01632 hours remaining, 235.570312 MB of memory in use. ENERGY: 360800 3915.6344 20257.7969 14437.3697 238.6311 -203082.1098 2760.7565 0.0000 0.0000 51734.2967 -109737.6246 297.3177 -161471.9212 -109367.7909 298.2999 407.6809 441.5213 760744.6362 10.6893 10.5544 PRESSURE: 361000 -144.061 64.3685 16.5836 64.3683 -100.214 63.6356 16.5849 63.6357 -82.7787 GPRESSURE: 361000 -117.312 91.2696 21.6595 40.1348 -57.3423 65.9628 -147.894 -0.355711 -48.056 PRESSAVG: 361000 -40.4316 -4.12054 44.8525 -4.12053 -1.14596 0.10122 44.8525 0.101298 22.998 GPRESSAVG: 361000 -38.8568 -5.16156 45.6539 -5.6811 -1.74358 -1.25235 43.4797 1.73359 22.5777 TIMING: 361000 CPU: 1135.64, 0.00311675/step Wall: 1135.64, 0.00311675/step, 4.01628 hours remaining, 235.570312 MB of memory in use. ENERGY: 361000 3978.5208 20378.7118 14431.5457 264.6412 -203078.2594 2261.6351 0.0000 0.0000 51899.2048 -109863.9999 298.2654 -161763.2047 -109506.2560 297.7793 -109.0181 -74.2367 760128.6881 -6.1932 -6.0075 PRESSURE: 361200 236.55 250.484 7.57793 250.484 22.9749 60.3865 7.57749 60.386 242.025 GPRESSURE: 361200 245.442 192.803 -46.8248 167.599 34.892 170.481 11.0739 159.37 299.389 PRESSAVG: 361200 26.8685 -8.91069 -23.7327 -8.91075 -55.1696 -2.49878 -23.7327 -2.49878 39.0021 GPRESSAVG: 361200 26.9703 -8.1564 -24.3047 -7.81317 -54.9486 -1.24671 -23.7086 -3.8285 38.3324 TIMING: 361200 CPU: 1136.27, 0.00312029/step Wall: 1136.27, 0.00312029/step, 4.02067 hours remaining, 235.570312 MB of memory in use. ENERGY: 361200 3956.6022 20517.4739 14454.1961 244.7553 -203456.8499 2595.0094 0.0000 0.0000 52044.6440 -109644.1689 299.1013 -161688.8129 -109284.8820 298.6066 167.1835 193.2409 760796.3154 3.5670 3.4514 PRESSURE: 361400 -63.7119 -29.9201 -133.643 -29.9208 53.1721 203.577 -133.642 203.577 -81.5241 GPRESSURE: 361400 2.45547 11.968 -54.9638 -67.216 50.7036 153.549 -42.0239 70.2944 -47.2735 PRESSAVG: 361400 -4.69332 -44.6908 -19.3602 -44.6908 4.92155 -13.7684 -19.3602 -13.7684 11.033 GPRESSAVG: 361400 -6.21606 -44.6221 -18.0435 -45.263 6.1907 -13.343 -20.7453 -14.2911 11.3359 TIMING: 361400 CPU: 1136.89, 0.00311943/step Wall: 1136.89, 0.00311943/step, 4.01938 hours remaining, 235.570312 MB of memory in use. ENERGY: 361400 3955.0015 20408.8854 14452.5640 244.1487 -203255.2741 2609.3256 0.0000 0.0000 52028.7523 -109556.5967 299.0100 -161585.3490 -109195.4556 299.3286 -30.6880 1.9619 761256.6412 3.7537 3.7702 PRESSURE: 361600 -359.446 134.155 160.679 134.155 -145.642 -93.5926 160.679 -93.5928 -94.0825 GPRESSURE: 361600 -235.623 47.5392 118.457 39.9907 -118.789 -134.707 30.3506 -110.628 -144.273 PRESSAVG: 361600 2.83332 -51.4368 -43.6525 -51.4368 7.46002 33.8153 -43.6524 33.8153 -5.03025 GPRESSAVG: 361600 3.58721 -51.6172 -43.7992 -51.1899 6.75153 32.1462 -42.9162 34.0762 -5.26346 TIMING: 361600 CPU: 1137.52, 0.00312793/step Wall: 1137.52, 0.00312793/step, 4.03016 hours remaining, 235.570312 MB of memory in use. ENERGY: 361600 4019.5579 20489.0633 14517.0636 226.7016 -203367.9152 2598.6692 0.0000 0.0000 51894.2762 -109622.5833 298.2371 -161516.8596 -109256.4578 298.6264 -199.7235 -166.2283 761916.3585 1.7544 1.6918 PRESSURE: 361800 -266.468 33.6398 1.53472 33.6412 -253.06 -158.986 1.53412 -158.987 74.3515 GPRESSURE: 361800 -286.383 -52.6171 7.55899 -14.3547 -172.972 -158.511 -61.8465 -162.968 75.3469 PRESSAVG: 361800 -18.6266 29.2511 16.5816 29.2512 8.00127 18.5319 16.5816 18.5319 -22.2123 GPRESSAVG: 361800 -18.5717 29.303 16.3288 29.1543 7.40943 19.8788 16.0618 18.4885 -21.6194 TIMING: 361800 CPU: 1138.14, 0.0031291/step Wall: 1138.14, 0.0031291/step, 4.0315 hours remaining, 235.570312 MB of memory in use. ENERGY: 361800 3956.7390 20739.5526 14460.4028 257.1835 -203169.1581 2270.4417 0.0000 0.0000 52115.3380 -109369.5004 299.5076 -161484.8384 -109010.6504 299.3502 -148.3922 -128.0029 762946.7095 -10.9459 -10.9272 PRESSURE: 362000 -27.165 -240.657 -124.943 -240.657 -215.119 -106.809 -124.944 -106.81 452.914 GPRESSURE: 362000 8.50693 -122.494 -70.5827 -186.5 -155.519 -159.709 -59.7944 113.616 463.329 PRESSAVG: 362000 -75.9855 10.9816 -68.7593 10.9816 76.3773 73.3491 -68.7594 73.349 -5.26396 GPRESSAVG: 362000 -76.8869 11.3166 -67.1056 11.4441 76.3656 72.9678 -67.6632 75.4971 -5.36896 TIMING: 362000 CPU: 1138.77, 0.00313134/step Wall: 1138.77, 0.00313134/step, 4.03421 hours remaining, 235.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 362000 3965.3769 20694.7549 14446.1799 231.8086 -203946.7887 3117.1137 0.0000 0.0000 51800.5529 -109691.0018 297.6985 -161491.5547 -109333.0983 298.9919 70.2101 105.4391 761609.0095 -1.6241 -1.9634 PRESSURE: 362200 -289.585 -122.503 104.763 -122.503 196.363 -173.565 104.763 -173.564 -24.7633 GPRESSURE: 362200 -185.028 -125.159 47.2064 -147.819 152.947 -158.563 25.606 -210.701 -8.48943 PRESSAVG: 362200 20.3528 22.5925 -6.49312 22.5925 -0.827579 23.4423 -6.4931 23.4423 -3.83552 GPRESSAVG: 362200 21.1429 21.4165 -8.92725 21.3903 -0.839565 24.2451 -6.20735 21.5704 -4.51884 TIMING: 362200 CPU: 1139.4, 0.00313607/step Wall: 1139.4, 0.00313607/step, 4.04013 hours remaining, 235.570312 MB of memory in use. ENERGY: 362200 4015.0830 20596.9962 14441.2337 234.3902 -203479.0341 2679.6492 0.0000 0.0000 51808.5535 -109703.1283 297.7445 -161511.6818 -109348.4999 298.9573 -39.3285 -13.5234 761361.9409 5.2299 5.2615 PRESSURE: 362400 -200.652 38.4436 -194.749 38.443 -471.451 -175.98 -194.749 -175.98 18.6691 GPRESSURE: 362400 -242.584 1.45586 -130.187 -25.0437 -362.081 -175.13 -207.135 -153.305 46.6419 PRESSAVG: 362400 -8.03184 12.9273 -29.0826 12.9272 45.1495 14.8791 -29.0826 14.8791 3.2176 GPRESSAVG: 362400 -9.39233 15.0853 -29.3059 14.0135 46.1451 12.7688 -27.639 15.9896 4.10091 TIMING: 362400 CPU: 1140.02, 0.00311725/step Wall: 1140.02, 0.00311725/step, 4.01571 hours remaining, 235.570312 MB of memory in use. ENERGY: 362400 4088.7367 20416.6866 14592.4684 226.2442 -203182.0028 2491.5378 0.0000 0.0000 51823.1089 -109543.2202 297.8281 -161366.3291 -109172.9350 298.7117 -217.8112 -186.0079 762456.6225 13.4451 13.6179 PRESSURE: 362600 -13.089 -163.359 -134.79 -163.359 -145.421 -84.3913 -134.79 -84.3906 -124.293 GPRESSURE: 362600 20.8717 -77.5622 -135.889 -115.698 -106.632 -91.3877 1.89053 -63.9838 -130.66 PRESSAVG: 362600 9.18241 51.7965 -33.0339 51.7965 -34.6278 51.5157 -33.034 51.5158 10.6719 GPRESSAVG: 362600 9.55988 50.9427 -33.4366 51.3698 -34.7096 52.1335 -34.6247 51.0428 10.2913 TIMING: 362600 CPU: 1140.64, 0.00310669/step Wall: 1140.64, 0.00310669/step, 4.00193 hours remaining, 235.570312 MB of memory in use. ENERGY: 362600 3986.1878 20646.4828 14462.8074 259.2615 -203225.2561 2528.6648 0.0000 0.0000 51952.0192 -109389.8326 298.5690 -161341.8518 -109031.9034 299.1362 -94.2676 -72.1401 762751.0963 -4.9245 -4.9528 PRESSURE: 362800 -134.464 -97.9534 -120.51 -97.9539 -41.3411 141.983 -120.51 141.983 -128.939 GPRESSURE: 362800 51.3338 -75.9453 -170.294 -27.2457 -144.48 268.852 -74.3483 58.8006 -123.537 PRESSAVG: 362800 -28.9066 -23.9219 37.4832 -23.9218 6.5631 66.1819 37.4832 66.1819 2.56195 GPRESSAVG: 362800 -28.1374 -25.1555 37.6824 -23.3927 6.30756 67.2767 37.9025 65.5124 2.314 TIMING: 362800 CPU: 1141.26, 0.00311228/step Wall: 1141.26, 0.00311228/step, 4.00896 hours remaining, 235.570312 MB of memory in use. ENERGY: 362800 4078.2783 20417.8845 14553.0936 237.8865 -203307.8969 2683.3922 0.0000 0.0000 52051.3569 -109286.0048 299.1399 -161337.3617 -108921.7189 299.2215 -101.5815 -72.2277 761181.3797 -6.5939 -6.5053 PRESSURE: 363000 98.4256 -444.439 0.516727 -444.44 -72.9374 29.2587 0.51623 29.2589 14.1795 GPRESSURE: 363000 135.506 -419.498 1.74564 -415.612 39.3115 15.3384 -59.5357 68.1943 -48.0416 PRESSAVG: 363000 -31.3258 -39.5397 -36.3024 -39.5397 -26.6828 38.2052 -36.3024 38.2052 -9.88453 GPRESSAVG: 363000 -31.4847 -39.7694 -35.7464 -39.6492 -26.9485 37.0055 -38.3481 38.5062 -9.51307 TIMING: 363000 CPU: 1141.89, 0.00312997/step Wall: 1141.89, 0.00312997/step, 4.03158 hours remaining, 235.570312 MB of memory in use. ENERGY: 363000 4026.9992 20531.2256 14596.6861 254.2628 -203514.4757 2861.7148 0.0000 0.0000 51996.0850 -109247.5021 298.8222 -161243.5871 -108890.3720 298.8237 13.2226 42.2587 762372.5065 -22.6311 -22.6488 PRESSURE: 363200 -259.406 7.65307 7.37828 7.653 -179.567 28.8151 7.37887 28.8153 -240.055 GPRESSURE: 363200 -274.37 -127.435 -77.7993 -59.7424 -50.5774 -28.8591 6.37255 -43.1071 -279.616 PRESSAVG: 363200 -67.1195 -6.59234 18.5736 -6.59236 44.111 -12.7308 18.5736 -12.7308 0.996859 GPRESSAVG: 363200 -66.5716 -5.76557 18.1512 -8.06073 43.4267 -12.9037 22.4086 -12.8804 1.50416 TIMING: 363200 CPU: 1142.52, 0.00312948/step Wall: 1142.52, 0.00312948/step, 4.03077 hours remaining, 235.570312 MB of memory in use. ENERGY: 363200 3967.9194 20457.7329 14562.8570 257.0478 -203130.0089 2323.7060 0.0000 0.0000 52278.0737 -109282.6720 300.4428 -161560.7457 -108921.1779 299.9367 -226.3424 -201.5211 761609.4718 -7.3372 -7.2136 PRESSURE: 363400 -335.153 19.0104 -81.7762 19.0109 -182.708 -68.2656 -81.7759 -68.2655 27.5415 GPRESSURE: 363400 -275.683 -78.8335 -142.193 85.8225 -178.491 -39.3441 22.8275 -2.31181 56.1337 PRESSAVG: 363400 -2.42507 -36.6254 -42.2233 -36.6254 7.45461 28.9098 -42.2233 28.9098 -12.5532 GPRESSAVG: 363400 -4.16072 -37.5345 -41.8957 -35.021 9.46254 30.021 -43.8487 27.5444 -13.0015 TIMING: 363400 CPU: 1143.15, 0.00314986/step Wall: 1143.15, 0.00314986/step, 4.05684 hours remaining, 235.570312 MB of memory in use. ENERGY: 363400 3929.6507 20462.7181 14626.8664 253.4563 -203053.8744 2450.4996 0.0000 0.0000 51987.0024 -109343.6809 298.7700 -161330.6833 -108981.4740 299.5860 -163.4398 -132.6799 761008.8623 -2.5079 -2.5666 PRESSURE: 363600 296.555 -106.96 -98.483 -106.96 -99.7887 -9.06722 -98.482 -9.06742 147.149 GPRESSURE: 363600 223.667 -83.0328 8.94893 -94.4093 7.05296 35.3102 -122.554 -77.0595 218.021 PRESSAVG: 363600 -5.59965 27.7711 37.3541 27.7711 31.7087 15.1069 37.3541 15.107 -2.80729 GPRESSAVG: 363600 -4.96693 29.562 37.0428 27.86 31.4217 13.8467 36.52 16.7654 -2.7304 TIMING: 363600 CPU: 1143.78, 0.00314888/step Wall: 1143.78, 0.00314888/step, 4.05541 hours remaining, 235.570312 MB of memory in use. ENERGY: 363600 3988.4175 20579.7178 14459.7355 241.8142 -203475.8968 2821.6570 0.0000 0.0000 51977.6465 -109406.9084 298.7162 -161384.5549 -109040.6131 299.3742 114.6385 149.5802 761303.2383 7.7672 7.9081 PRESSURE: 363800 156.31 -8.2628 216.061 -8.26183 57.7967 -106.742 216.061 -106.742 215.468 GPRESSURE: 363800 242.707 36.1306 168.776 77.8877 57.3787 5.62624 195.977 -37.0557 220.476 PRESSAVG: 363800 -22.2201 -28.9423 -27.8745 -28.9423 41.195 43.9091 -27.8745 43.9091 -22.2679 GPRESSAVG: 363800 -21.0295 -28.6099 -29.5874 -29.8587 40.1296 44.7087 -28.9778 42.4037 -22.7407 TIMING: 363800 CPU: 1144.4, 0.00312392/step Wall: 1144.4, 0.00312392/step, 4.02309 hours remaining, 235.570312 MB of memory in use. ENERGY: 363800 3991.3449 20412.3108 14489.9008 231.6155 -203327.9793 2813.5704 0.0000 0.0000 51992.7994 -109396.4376 298.8033 -161389.2370 -109037.9386 299.4688 143.1913 173.5206 762317.3776 -1.0977 -1.2135 PRESSURE: 364000 148.051 141.704 55.1883 141.705 -175.205 118.983 55.1879 118.982 -142.983 GPRESSURE: 364000 161.071 98.9414 43.0023 14.9223 -65.8105 153.914 146.235 17.5952 -184.141 PRESSAVG: 364000 -66.0537 -7.91184 11.8859 -7.91183 39.7984 13.565 11.8859 13.5649 -14.9173 GPRESSAVG: 364000 -67.4984 -8.54517 11.9701 -6.63488 40.5938 13.8647 12.7344 12.2746 -14.51 TIMING: 364000 CPU: 1145.03, 0.00314624/step Wall: 1145.03, 0.00314624/step, 4.05166 hours remaining, 235.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 364000 3864.2675 20645.9358 14508.0605 242.8374 -203115.7125 2484.8954 0.0000 0.0000 51888.6801 -109481.0360 298.2050 -161369.7161 -109119.5015 298.8170 -56.7124 -29.6268 760231.7784 -13.7242 -13.8049 PRESSURE: 364200 51.4152 -9.78694 -118.803 -9.78617 -191.565 160.524 -118.804 160.524 -434.143 GPRESSURE: 364200 58.9198 -11.9181 -107.115 -41.5621 -232.234 41.5994 -3.27529 202.232 -341.931 PRESSAVG: 364200 -16.6779 35.1433 60.8407 35.1433 3.94766 7.60245 60.8407 7.60242 2.84081 GPRESSAVG: 364200 -15.8775 35.3508 63.7703 34.1051 3.28347 6.46886 61.8542 11.1406 2.72365 TIMING: 364200 CPU: 1145.66, 0.00314964/step Wall: 1145.66, 0.00314964/step, 4.05586 hours remaining, 235.570312 MB of memory in use. ENERGY: 364200 4043.1062 20458.1112 14496.2659 217.0021 -203325.0379 2596.7490 0.0000 0.0000 51834.0188 -109679.7846 297.8908 -161513.8035 -109316.0653 298.7129 -191.4307 -171.7485 761925.0456 -3.2965 -3.2901 LDB: ============= START OF LOAD BALANCING ============== 1158.11 LDB: ============== END OF LOAD BALANCING =============== 1158.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1158.11 LDB: ============= START OF LOAD BALANCING ============== 1158.43 LDB: Largest compute 7073 load 0.034215 is 17.6% of average load 0.194799 LDB: Average compute 0.004386 is 2.3% of average load 0.194799 LDB: TIME 1158.43 LOAD: AVG 0.194799 MAX 0.213065 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.66 MB LDB: TIME 1158.43 LOAD: AVG 0.194799 MAX 0.213065 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: TIME 1158.43 LOAD: AVG 0.194799 MAX 0.213065 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: ============== END OF LOAD BALANCING =============== 1158.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1158.44 PRESSURE: 364400 -323.52 44.469 -92.7104 44.4707 170.23 171.128 -92.7102 171.129 -247.216 GPRESSURE: 364400 -266.963 93.2157 -107.771 88.0104 156.049 208.813 -66.917 249.212 -205.358 PRESSAVG: 364400 -9.89722 -40.4277 -3.35439 -40.4277 -1.30969 22.3924 -3.35437 22.3925 4.93099 GPRESSAVG: 364400 -9.46862 -38.6203 -3.08635 -41.6711 -2.38794 22.7318 -5.37624 21.1 4.8155 TIMING: 364400 CPU: 1146.3, 0.0032058/step Wall: 1146.3, 0.0032058/step, 4.12801 hours remaining, 237.046875 MB of memory in use. ENERGY: 364400 3966.0482 20474.1958 14555.7014 240.4288 -203188.3234 2509.2092 0.0000 0.0000 51734.6318 -109708.1083 297.3196 -161442.7401 -109356.9084 298.2115 -133.5017 -105.4237 762163.8027 -2.0920 -2.3470 PRESSURE: 364600 -148.124 -149.637 -42.314 -149.636 -332.984 85.0263 -42.3132 85.0254 146.15 GPRESSURE: 364600 -188.383 -157.185 -22.0147 -200.397 -214.413 100.284 18.9595 93.92 130.988 PRESSAVG: 364600 -27.5174 -11.2631 -18.7663 -11.2631 52.3027 13.8588 -18.7663 13.8588 19.1095 GPRESSAVG: 364600 -29.347 -11.7373 -21.1761 -9.94359 53.725 13.3735 -15.4803 12.7645 18.3868 TIMING: 364600 CPU: 1146.93, 0.00313143/step Wall: 1146.93, 0.00313143/step, 4.03206 hours remaining, 237.113281 MB of memory in use. ENERGY: 364600 4012.2425 20521.3740 14510.6119 240.4061 -202857.9079 2120.4663 0.0000 0.0000 51944.3757 -109508.4315 298.5250 -161452.8072 -109146.8877 298.5193 -111.6525 -90.6029 761885.8503 14.6316 14.2549 PRESSURE: 364800 -309.18 -14.2547 -110.164 -14.2544 -202.241 87.0668 -110.165 87.0665 -82.9455 GPRESSURE: 364800 -250.143 -5.60204 -22.5836 -49.7381 -183.541 74.8102 -37.3893 72.4919 -57.6683 PRESSAVG: 364800 10.6958 -58.4268 -11.1342 -58.4268 -22.9642 23.2438 -11.1341 23.2438 14.6326 GPRESSAVG: 364800 11.544 -60.7541 -9.51471 -58.1502 -23.984 22.567 -13.6189 22.9373 15.3819 TIMING: 364800 CPU: 1147.55, 0.00312157/step Wall: 1147.55, 0.00312157/step, 4.0192 hours remaining, 237.113281 MB of memory in use. ENERGY: 364800 3990.2219 20493.6571 14496.2119 234.3421 -202697.2541 2202.3576 0.0000 0.0000 52303.7158 -108976.7478 300.5902 -161280.4636 -108616.7891 299.2520 -198.1223 -163.7842 761696.1036 0.7881 0.9806 PRESSURE: 365000 -4.48889 49.0845 -25.5124 49.0846 -197.294 -103.407 -25.5122 -103.408 43.9565 GPRESSURE: 365000 83.1001 46.6342 -32.3 38.7545 -192.043 -66.1115 52.4677 -109.495 24.0839 PRESSAVG: 365000 -4.84879 -36.7594 -31.2973 -36.7594 -12.4166 -8.10447 -31.2973 -8.10447 -2.40888 GPRESSAVG: 365000 -4.11305 -34.8919 -32.1645 -38.1921 -11.8324 -7.54908 -31.2599 -8.00175 -3.23789 TIMING: 365000 CPU: 1148.18, 0.00313573/step Wall: 1148.18, 0.00313573/step, 4.03726 hours remaining, 237.113281 MB of memory in use. ENERGY: 365000 3968.7065 20677.2972 14527.3571 234.3899 -203487.0895 2977.9883 0.0000 0.0000 52176.3221 -108925.0284 299.8580 -161101.3506 -108558.6976 300.0442 -52.6088 -28.2862 763046.2353 -6.5581 -6.3944 PRESSURE: 365200 -41.2155 -103.5 122.767 -103.5 183.892 71.6111 122.766 71.6113 481.977 GPRESSURE: 365200 -69.8195 -64.88 146.615 -0.877045 241.788 39.9053 209.641 153.731 534.587 PRESSAVG: 365200 -34.4783 -33.8331 -13.4381 -33.8331 -13.1914 44.7771 -13.438 44.7771 3.01697 GPRESSAVG: 365200 -36.6868 -35.0249 -13.124 -32.0881 -13.1327 44.5741 -13.5294 47.0761 5.12 TIMING: 365200 CPU: 1148.8, 0.00312174/step Wall: 1148.8, 0.00312174/step, 4.01907 hours remaining, 237.113281 MB of memory in use. ENERGY: 365200 3987.6026 20626.7063 14455.5994 251.5578 -203152.1276 2573.1186 0.0000 0.0000 52217.9647 -109039.5781 300.0974 -161257.5427 -108681.9619 300.2878 208.2177 235.5186 762429.1365 -14.8843 -14.8998 PRESSURE: 365400 -93.3429 176.172 48.3185 176.172 -242.669 246.014 48.3187 246.013 -169.994 GPRESSURE: 365400 -34.1331 301.989 -73.9756 12.1081 -272.929 242.093 183.047 300.951 -127.897 PRESSAVG: 365400 49.7353 -40.5008 -23.991 -40.5009 -4.18647 22.7329 -23.991 22.7329 -6.41475 GPRESSAVG: 365400 50.15 -39.7111 -25.6051 -41.1359 -4.1358 22.4765 -23.2593 21.032 -7.03763 TIMING: 365400 CPU: 1149.43, 0.00311774/step Wall: 1149.43, 0.00311774/step, 4.01374 hours remaining, 237.113281 MB of memory in use. ENERGY: 365400 4060.5028 20461.5741 14521.6771 257.3328 -203159.1414 2356.7597 0.0000 0.0000 52259.5939 -109241.7010 300.3366 -161501.2950 -108877.4152 299.8729 -168.6686 -144.9865 760125.0932 13.0447 12.9922 PRESSURE: 365600 -1.29047 -126.312 -0.473957 -126.311 -86.265 -12.2736 -0.473621 -12.2725 27.8568 GPRESSURE: 365600 -69.7442 -93.4841 -37.6915 -125.037 18.0106 -65.8363 -70.3738 64.1397 81.1567 PRESSAVG: 365600 -62.5271 -45.7849 -56.5353 -45.7849 15.5342 -13.1183 -56.5353 -13.1183 -7.66735 GPRESSAVG: 365600 -62.0358 -46.6764 -55.7395 -46.3019 16.2149 -13.7206 -55.4666 -12.6021 -8.81688 TIMING: 365600 CPU: 1150.05, 0.00311172/step Wall: 1150.05, 0.00311172/step, 4.00582 hours remaining, 237.113281 MB of memory in use. ENERGY: 365600 3948.3522 20683.2865 14521.8971 244.3731 -203482.8505 2943.3101 0.0000 0.0000 52267.4550 -108874.1765 300.3818 -161141.6315 -108513.9438 300.1557 -19.8995 9.8077 761742.8903 -18.2201 -18.2126 PRESSURE: 365800 -399.265 -62.0836 -8.84291 -62.0845 -163.246 138.382 -8.84409 138.382 -546.711 GPRESSURE: 365800 -424.326 -44.0535 41.1724 -90.9821 -168.627 54.3738 34.3619 104.073 -421.922 PRESSAVG: 365800 -8.40071 -32.7159 -12.5113 -32.7159 47.3397 5.63385 -12.5112 5.6338 5.35821 GPRESSAVG: 365800 -7.40223 -33.5034 -12.89 -31.4587 46.4558 6.4752 -14.1886 4.27262 5.51829 TIMING: 365800 CPU: 1150.67, 0.00310934/step Wall: 1150.67, 0.00310934/step, 4.00258 hours remaining, 237.113281 MB of memory in use. ENERGY: 365800 4019.8863 20565.2178 14481.5248 215.6155 -203477.4225 2655.0339 0.0000 0.0000 52337.2991 -109202.8450 300.7832 -161540.1441 -108828.6512 300.4230 -369.7407 -338.2915 761490.8538 14.7657 14.8573 PRESSURE: 366000 25.6964 -41.0828 -255.904 -41.0821 -57.4772 -10.9085 -255.904 -10.9099 -242.582 GPRESSURE: 366000 52.6671 -77.9207 -181.461 26.5357 -56.0251 14.3968 -221.216 -49.7336 -180.515 PRESSAVG: 366000 33.5433 -18.9461 -11.0138 -18.946 -23.8307 -36.5755 -11.0137 -36.5755 11.9861 GPRESSAVG: 366000 32.9203 -17.3661 -10.275 -18.0115 -23.6891 -36.7265 -9.64801 -34.5205 12.3967 TIMING: 366000 CPU: 1151.29, 0.00311039/step Wall: 1151.29, 0.00311039/step, 4.00376 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: 366000 4072.6186 20669.0569 14476.3579 269.3570 -203568.4753 2729.7922 0.0000 0.0000 52110.9597 -109240.3330 299.4824 -161351.2927 -108890.4232 300.1841 -91.4544 -61.2909 761424.2395 7.2329 7.2093 PRESSURE: 366200 -52.4124 52.8348 39.3187 52.8355 -61.4954 9.63745 39.3185 9.63706 -280.413 GPRESSURE: 366200 15.6764 31.1889 -0.471014 54.4002 -116.265 93.787 -41.8509 -33.1278 -216.902 PRESSAVG: 366200 -31.0343 -6.42484 -7.93598 -6.42482 26.8456 -32.5635 -7.93604 -32.5636 3.29883 GPRESSAVG: 366200 -29.5939 -6.34051 -6.75583 -9.25921 26.6478 -31.3217 -11.8743 -34.5111 2.28681 TIMING: 366200 CPU: 1151.91, 0.0031063/step Wall: 1151.91, 0.0031063/step, 3.99833 hours remaining, 237.113281 MB of memory in use. ENERGY: 366200 3978.7141 20550.4282 14503.6646 242.1660 -203458.8376 2754.9928 0.0000 0.0000 52356.3667 -109072.5053 300.8928 -161428.8719 -108710.1195 300.3406 -131.4401 -105.8304 762358.1175 -0.2966 -0.2198 PRESSURE: 366400 318.916 155.839 120.408 155.84 99.8964 98.9426 120.408 98.942 74.4895 GPRESSURE: 366400 200.355 264.525 168.22 175.585 219.296 136.423 113.482 74.2245 155.759 PRESSAVG: 366400 8.87593 -19.3742 -24.2669 -19.3742 28.0954 13.1384 -24.2669 13.1384 7.93737 GPRESSAVG: 366400 7.80352 -18.8455 -26.9033 -19.06 28.6703 10.8465 -22.6918 12.9532 8.19232 TIMING: 366400 CPU: 1152.54, 0.00311552/step Wall: 1152.54, 0.00311552/step, 4.01002 hours remaining, 237.113281 MB of memory in use. ENERGY: 366400 3905.4771 20505.0879 14507.2128 238.9982 -203823.9540 3221.5588 0.0000 0.0000 52330.1324 -109115.4869 300.7420 -161445.6193 -108753.7736 300.3163 164.4341 191.8030 763245.5193 14.9696 14.8887 PRESSURE: 366600 -10.7257 162.709 -26.0545 162.709 23.2505 13.0333 -26.0548 13.0322 -75.0075 GPRESSURE: 366600 5.6841 91.693 -114.58 174.593 -6.10926 -77.348 125.128 85.8688 7.80697 PRESSAVG: 366600 7.24951 2.65405 8.41016 2.65404 -2.75658 -36.1451 8.41022 -36.1451 1.68843 GPRESSAVG: 366600 7.60159 0.690753 10.9571 4.43072 -3.75043 -34.6678 9.59853 -33.5038 1.6481 TIMING: 366600 CPU: 1153.16, 0.00313267/step Wall: 1153.16, 0.00313267/step, 4.03192 hours remaining, 237.113281 MB of memory in use. ENERGY: 366600 3928.5588 20558.1277 14562.6743 252.0385 -202964.8831 2318.8838 0.0000 0.0000 52103.1789 -109241.4212 299.4377 -161344.6001 -108883.2725 299.6585 -20.8276 2.4606 763704.1884 2.0605 1.8331 PRESSURE: 366800 116.385 -30.6919 -127.525 -30.692 -195.133 91.1947 -127.525 91.1958 229.98 GPRESSURE: 366800 124.788 -116.516 -112.246 -156.009 -181.997 86.5804 -221.177 90.7166 275.982 PRESSAVG: 366800 16.1458 18.9805 -38.5313 18.9805 -19.7708 -6.70054 -38.5312 -6.70059 2.24837 GPRESSAVG: 366800 16.5853 18.406 -38.4996 18.6331 -21.2123 -7.64121 -39.1872 -7.54739 3.24578 TIMING: 366800 CPU: 1153.79, 0.00313507/step Wall: 1153.79, 0.00313507/step, 4.03484 hours remaining, 237.113281 MB of memory in use. ENERGY: 366800 3983.2552 20529.9029 14536.8254 264.1770 -202949.6264 2439.6281 0.0000 0.0000 51975.5415 -109220.2963 298.7042 -161195.8378 -108856.2762 299.8375 50.4106 72.9240 762565.4464 -0.4589 -0.4604 PRESSURE: 367000 -218.799 67.2098 76.9481 67.2097 97.8222 16.9063 76.9478 16.9065 340.175 GPRESSURE: 367000 -201.981 25.9164 69.9106 50.0309 152.896 -46.4245 -18.4172 -46.6688 327.057 PRESSAVG: 367000 -32.0534 -14.5812 -20.645 -14.5813 12.3106 -0.861059 -20.645 -0.861076 -7.31497 GPRESSAVG: 367000 -33.4117 -11.7878 -20.6656 -15.842 14.4263 -1.42399 -20.5051 -2.61566 -7.84647 TIMING: 367000 CPU: 1154.42, 0.00313498/step Wall: 1154.42, 0.00313498/step, 4.03454 hours remaining, 237.113281 MB of memory in use. ENERGY: 367000 3934.8406 20518.8006 14500.9660 252.1791 -202944.7565 2346.5319 0.0000 0.0000 52213.5994 -109177.8391 300.0723 -161391.4385 -108817.7327 299.3659 73.0659 92.6575 760750.2670 -9.0193 -8.9439 PRESSURE: 367200 124.698 -133.319 17.8697 -133.319 111.882 309.992 17.8689 309.992 196.651 GPRESSURE: 367200 117.091 -92.5758 123.534 -114.712 66.9426 223.479 61.2045 218.734 308.239 PRESSAVG: 367200 -14.7837 20.4726 -15.771 20.4727 -6.48591 5.59962 -15.771 5.59962 -16.2747 GPRESSAVG: 367200 -14.9681 19.5083 -15.9702 22.1454 -6.34947 6.044 -14.6348 5.62399 -16.1169 TIMING: 367200 CPU: 1155.04, 0.00313729/step Wall: 1155.04, 0.00313729/step, 4.03734 hours remaining, 237.113281 MB of memory in use. ENERGY: 367200 3981.9486 20664.4146 14573.0064 254.1977 -203264.3922 2541.7324 0.0000 0.0000 51973.3682 -109275.7243 298.6917 -161249.0925 -108924.5295 299.0327 144.4105 164.0910 761104.2732 -12.5147 -12.4782 PRESSURE: 367400 -357.938 -46.8561 83.3582 -46.8559 -99.019 -212.105 83.3589 -212.105 21.3319 GPRESSURE: 367400 -278.877 17.2247 86.569 -132.302 -92.3521 -182.127 -1.99067 -122.207 19.8434 PRESSAVG: 367400 -28.5229 8.01621 -58.829 8.01619 12.3861 -17.645 -58.829 -17.645 -33.6949 GPRESSAVG: 367400 -28.8614 9.85364 -58.1983 6.29209 11.3336 -17.0275 -59.6566 -17.6451 -32.5109 TIMING: 367400 CPU: 1155.67, 0.00314514/step Wall: 1155.67, 0.00314514/step, 4.04727 hours remaining, 237.113281 MB of memory in use. ENERGY: 367400 4033.1801 20656.8329 14408.3360 228.7400 -203166.9603 2587.3777 0.0000 0.0000 51914.2820 -109338.2117 298.3521 -161252.4937 -108969.7372 299.5489 -145.2083 -117.1286 761826.4328 -16.6105 -16.6796 PRESSURE: 367600 -423.426 -39.1118 64.057 -39.1114 -122.355 163.087 64.0572 163.088 -142.964 GPRESSURE: 367600 -325.14 23.6637 127.226 6.67063 -148.823 126.376 -118.953 38.8912 -115.205 PRESSAVG: 367600 -53.3897 -18.8604 -60.6653 -18.8604 67.7134 8.64254 -60.6653 8.64264 -12.313 GPRESSAVG: 367600 -51.7906 -19.1355 -60.556 -18.9009 68.4906 8.5176 -61.8968 9.3772 -14.469 TIMING: 367600 CPU: 1156.3, 0.00312345/step Wall: 1156.3, 0.00312345/step, 4.01919 hours remaining, 237.113281 MB of memory in use. ENERGY: 367600 3977.2451 20600.1164 14594.7510 248.2288 -202908.5029 2254.6501 0.0000 0.0000 52230.7246 -109002.7868 300.1707 -161233.5114 -108643.7980 299.7827 -229.5818 -196.3892 761215.7161 0.6703 0.7437 PRESSURE: 367800 364.136 -83.3217 52.3833 -83.3219 128.421 180.193 52.3836 180.193 -83.1536 GPRESSURE: 367800 290.908 -109.075 112.588 -6.29444 287.809 239.143 87.5815 -12.6723 -70.4563 PRESSAVG: 367800 7.09564 -0.46318 -57.2096 -0.463182 57.5342 17.5756 -57.2096 17.5757 -4.53062 GPRESSAVG: 367800 5.36664 -0.0870314 -58.0371 -0.0828381 57.9216 18.4965 -56.125 16.778 -3.23641 TIMING: 367800 CPU: 1156.92, 0.0031305/step Wall: 1156.92, 0.0031305/step, 4.02809 hours remaining, 237.113281 MB of memory in use. ENERGY: 367800 4000.9815 20649.0119 14535.5545 232.9361 -203370.9245 2766.3228 0.0000 0.0000 52286.7067 -108899.4111 300.4924 -161186.1178 -108541.2191 300.2066 136.4678 169.4201 760100.5026 20.0331 20.0173 PRESSURE: 368000 -213.492 -127.753 -159.024 -127.753 -41.9855 52.085 -159.024 52.0849 126.051 GPRESSURE: 368000 -198.736 -115.717 -101.749 -175.992 -47.6115 7.86232 -65.7146 135.834 213.38 PRESSAVG: 368000 8.37822 -48.7162 -22.0114 -48.7162 -5.07672 12.81 -22.0115 12.81 -1.9179 GPRESSAVG: 368000 9.67603 -52.0755 -21.6503 -48.0902 -6.16511 12.9523 -23.26 14.1655 -2.26193 TIMING: 368000 CPU: 1157.56, 0.00315437/step Wall: 1157.56, 0.00315437/step, 4.05862 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: 368000 4015.1041 20502.1939 14506.8584 233.1042 -203118.5118 2519.6252 0.0000 0.0000 52312.1647 -109029.4612 300.6387 -161341.6259 -108666.0573 300.3989 -43.1419 -10.9889 761636.9988 0.4612 0.4163 PRESSURE: 368200 -118.406 -77.6841 -243.402 -77.6833 -159.363 7.77466 -243.402 7.77471 -79.1174 GPRESSURE: 368200 -94.8479 -158.84 -256.711 -88.5661 -168.139 -18.8108 -110.211 22.056 -22.6489 PRESSAVG: 368200 -42.6032 -49.5646 -39.7719 -49.5645 -10.4321 -38.1035 -39.772 -38.1035 -2.72963 GPRESSAVG: 368200 -42.8231 -45.679 -37.5508 -52.1585 -9.89621 -38.4108 -38.3167 -36.923 -2.84129 TIMING: 368200 CPU: 1158.18, 0.0031397/step Wall: 1158.18, 0.0031397/step, 4.03957 hours remaining, 237.113281 MB of memory in use. ENERGY: 368200 4068.7690 20518.4493 14580.4025 263.1738 -203454.1528 2536.6488 0.0000 0.0000 52201.0442 -109285.6653 300.0001 -161486.7095 -108910.1565 299.8260 -118.9621 -95.2121 761418.4260 -18.5883 -18.5202 LDB: ============= START OF LOAD BALANCING ============== 1170.64 LDB: ============== END OF LOAD BALANCING =============== 1170.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1170.64 LDB: ============= START OF LOAD BALANCING ============== 1170.95 LDB: Largest compute 7031 load 0.034291 is 17.6% of average load 0.194841 LDB: Average compute 0.004377 is 2.2% of average load 0.194841 LDB: TIME 1170.96 LOAD: AVG 0.194841 MAX 0.211346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 1170.96 LOAD: AVG 0.194841 MAX 0.211346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.43 MB LDB: TIME 1170.96 LOAD: AVG 0.194841 MAX 0.211346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.43 MB LDB: ============== END OF LOAD BALANCING =============== 1170.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1170.96 PRESSURE: 368400 -45.3002 -10.1664 236.667 -10.1665 -564.227 143.106 236.667 143.108 -61.8877 GPRESSURE: 368400 -22.6199 61.6113 289.804 -63.2165 -489.801 99.5682 95.9183 193.529 -73.642 PRESSAVG: 368400 -6.41585 -32.2458 17.9857 -32.2457 -8.79812 -37.9759 17.9857 -37.9759 -4.33028 GPRESSAVG: 368400 -7.40983 -32.6132 14.0664 -30.6306 -8.35602 -38.7975 17.4573 -38.2327 -4.23678 TIMING: 368400 CPU: 1158.83, 0.00321874/step Wall: 1158.83, 0.00321874/step, 4.14108 hours remaining, 235.488281 MB of memory in use. ENERGY: 368400 3937.9591 20625.9022 14603.4098 236.3170 -202912.4280 2273.2730 0.0000 0.0000 51854.1606 -109381.4064 298.0066 -161235.5670 -109015.8921 299.4768 -223.8050 -195.3542 761481.2425 -6.5148 -6.6675 PRESSURE: 368600 30.8612 -149.941 -211.199 -149.941 56.4591 -68.1815 -211.199 -68.1817 -142.758 GPRESSURE: 368600 44.0025 -34.9286 -271.077 -248.182 135.721 -31.4899 -65.3667 -106.031 -162.271 PRESSAVG: 368600 -43.1022 -12.0324 -3.3134 -12.0324 16.2257 19.3317 -3.31333 19.3317 2.27198 GPRESSAVG: 368600 -43.1355 -10.8973 -2.04047 -12.2225 15.7302 18.0069 -2.63525 18.2946 3.2165 TIMING: 368600 CPU: 1159.45, 0.00312245/step Wall: 1159.45, 0.00312245/step, 4.01704 hours remaining, 235.691406 MB of memory in use. ENERGY: 368600 3998.3357 20566.2415 14455.7113 248.9469 -203049.9270 2369.4893 0.0000 0.0000 51967.6222 -109443.5802 298.6586 -161411.2024 -109089.8617 299.5839 -18.4792 5.8176 760725.3129 -8.2015 -8.0629 PRESSURE: 368800 -85.1668 -1.7413 -279.718 -1.74153 27.8954 -68.9391 -279.718 -68.9402 -593.531 GPRESSURE: 368800 -14.513 5.86752 -239.354 -3.95825 -108.795 -102.116 -212.581 -137.702 -443.532 PRESSAVG: 368800 -23.2384 -66.4397 -58.2808 -66.4398 3.10111 -26.9093 -58.2808 -26.9094 0.414212 GPRESSAVG: 368800 -23.8002 -69.1336 -58.6294 -62.832 3.62226 -27.4031 -58.5099 -27.1567 0.241621 TIMING: 368800 CPU: 1160.08, 0.00314769/step Wall: 1160.08, 0.00314769/step, 4.04933 hours remaining, 235.691406 MB of memory in use. ENERGY: 368800 3945.5940 20613.3670 14541.9404 245.6792 -203178.1478 2306.7585 0.0000 0.0000 51929.4245 -109595.3843 298.4391 -161524.8088 -109234.0563 298.9937 -216.9340 -188.9465 760538.2538 -6.5743 -6.6455 PRESSURE: 369000 -144.803 -23.2852 -62.7689 -23.285 -49.6956 -3.88987 -62.7685 -3.88984 219.93 GPRESSURE: 369000 -116.039 -57.796 -50.3063 -52.5329 -2.20639 -61.8391 -110.023 41.9331 236.858 PRESSAVG: 369000 -1.20597 -1.0435 -13.5901 -1.04347 78.8479 -6.95044 -13.5901 -6.95034 0.155923 GPRESSAVG: 369000 -1.11793 -2.50323 -12.3689 -2.55569 78.7379 -4.94101 -14.6417 -6.28838 -0.160511 TIMING: 369000 CPU: 1160.71, 0.00315844/step Wall: 1160.71, 0.00315844/step, 4.06299 hours remaining, 235.691406 MB of memory in use. ENERGY: 369000 4048.9367 20608.3308 14514.1813 271.2984 -203160.4369 2381.0589 0.0000 0.0000 51977.4122 -109359.2186 298.7149 -161336.6308 -109000.0766 299.3201 8.4773 39.5374 760650.7329 25.9326 25.8198 PRESSURE: 369200 117.714 -65.1533 -143.723 -65.1529 -147.705 -13.2935 -143.723 -13.2943 -151.029 GPRESSURE: 369200 121.982 96.7907 -49.608 -52.0137 -141.683 -139.528 -155.004 80.8958 -68.3163 PRESSAVG: 369200 22.0178 -29.2205 -21.9595 -29.2205 22.8064 -15.1732 -21.9594 -15.1733 1.48296 GPRESSAVG: 369200 22.2589 -28.9282 -22.4654 -28.2243 21.8612 -16.7802 -19.1796 -15.8353 1.55123 TIMING: 369200 CPU: 1161.34, 0.00313147/step Wall: 1161.34, 0.00313147/step, 4.02812 hours remaining, 235.691406 MB of memory in use. ENERGY: 369200 3918.2128 20614.6609 14548.2770 249.9220 -203072.8011 2488.4248 0.0000 0.0000 51941.9428 -109311.3608 298.5111 -161253.3036 -108943.9352 299.4630 -60.3399 -29.3390 761795.1180 15.4357 15.2238 PRESSURE: 369400 -34.8537 30.6918 100.41 30.6918 270.063 48.1764 100.41 48.176 -261.836 GPRESSURE: 369400 -42.9177 -4.14592 61.0284 -1.65875 318.062 91.7062 6.43737 124.825 -224.988 PRESSAVG: 369400 24.6717 -10.156 5.88598 -10.156 -12.5213 -65.6853 5.88603 -65.6852 9.61708 GPRESSAVG: 369400 24.9715 -9.31942 5.30418 -10.9078 -11.453 -66.3167 5.46137 -64.8953 8.35414 TIMING: 369400 CPU: 1161.97, 0.00313798/step Wall: 1161.97, 0.00313798/step, 4.03632 hours remaining, 235.691406 MB of memory in use. ENERGY: 369400 4006.8679 20611.5779 14462.7146 237.3352 -203115.0876 2440.9210 0.0000 0.0000 52202.1015 -109153.5694 300.0062 -161355.6709 -108804.9360 300.0496 -8.8756 16.7190 759335.3571 7.2558 7.2909 PRESSURE: 369600 -306.062 -106.033 11.0146 -106.033 -296.37 -57.4992 11.0143 -57.4992 69.6809 GPRESSURE: 369600 -259.884 13.3325 132.399 -67.1372 -261.56 52.9284 -112.597 -23.4765 87.5213 PRESSAVG: 369600 -48.1382 11.7119 -8.67328 11.712 47.7244 51.9646 -8.67328 51.9645 -14.8521 GPRESSAVG: 369600 -48.3467 9.93657 -6.19365 11.8691 46.1561 53.0967 -12.5267 52.8364 -12.7834 TIMING: 369600 CPU: 1162.59, 0.00314015/step Wall: 1162.59, 0.00314015/step, 4.03893 hours remaining, 235.691406 MB of memory in use. ENERGY: 369600 3997.9631 20515.6633 14470.7931 250.9164 -202820.6391 2204.0625 0.0000 0.0000 52320.1049 -109061.1358 300.6844 -161381.2407 -108697.1295 300.2002 -177.5836 -144.6409 761347.5679 -5.0887 -4.9913 PRESSURE: 369800 -162.332 -184.01 71.0668 -184.01 309.541 219.235 71.0666 219.235 -257.907 GPRESSURE: 369800 -148.13 -193.499 -0.971521 -147.361 371.329 184.933 73.2814 -31.3369 -260.837 PRESSAVG: 369800 0.421766 -31.3783 3.80093 -31.3783 29.0084 32.8441 3.80094 32.844 15.3708 GPRESSAVG: 369800 1.37563 -30.3099 0.697502 -31.2657 28.9963 32.5814 4.35211 30.0726 14.6626 TIMING: 369800 CPU: 1163.23, 0.00316484/step Wall: 1163.23, 0.00316483/step, 4.0705 hours remaining, 235.691406 MB of memory in use. ENERGY: 369800 4040.8496 20601.7872 14470.0885 254.3314 -202990.8613 2321.2805 0.0000 0.0000 52110.4097 -109192.1143 299.4792 -161302.5240 -108827.0468 300.0314 -36.8991 -12.5460 760363.9961 14.9337 15.0115 PRESSURE: 370000 -318.108 -203.954 -155.701 -203.952 -158.9 -19.4691 -155.7 -19.4699 87.371 GPRESSURE: 370000 -302.277 -208.969 -135.418 -269.989 -113.83 -61.5663 -141.502 -74.4961 111.527 PRESSAVG: 370000 3.43246 -0.325801 -16.6963 -0.325761 48.0319 -8.57739 -16.6963 -8.57741 -10.6105 GPRESSAVG: 370000 2.44918 0.870702 -16.1076 -1.2005 49.4103 -8.36993 -16.6762 -8.73644 -11.7423 TIMING: 370000 CPU: 1163.85, 0.00312734/step Wall: 1163.85, 0.00312734/step, 4.02211 hours remaining, 235.691406 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: 370000 4065.1957 20383.7038 14502.1218 294.8682 -203364.9661 2488.5312 0.0000 0.0000 52162.3068 -109468.2386 299.7775 -161630.5454 -109109.0932 299.5225 -129.8792 -101.5268 760665.6816 13.6180 13.3724 PRESSURE: 370200 48.4295 -4.60665 72.4898 -4.60771 -374.395 21.4178 72.4896 21.4179 22.89 GPRESSURE: 370200 117.741 -43.0537 63.1182 -5.79877 -274.281 1.47246 -2.54185 136.925 -73.4083 PRESSAVG: 370200 -6.002 3.06364 -1.93471 3.06364 -5.82559 -18.4125 -1.93482 -18.4125 7.34773 GPRESSAVG: 370200 -6.31159 5.16334 -0.996406 2.14947 -5.99251 -18.0497 -0.229501 -15.8214 7.78442 TIMING: 370200 CPU: 1164.48, 0.0031502/step Wall: 1164.48, 0.0031502/step, 4.05133 hours remaining, 235.691406 MB of memory in use. ENERGY: 370200 4045.1105 20502.4944 14509.4566 256.4620 -203340.3898 2578.6737 0.0000 0.0000 51985.8137 -109462.3789 298.7632 -161448.1926 -109106.2051 298.7841 -101.0253 -76.6495 760651.0039 -1.4933 -1.5066 PRESSURE: 370400 67.052 -3.28542 17.1665 -3.28546 17.9466 -300.674 17.165 -300.674 -323.117 GPRESSURE: 370400 151.022 67.2598 24.2157 -30.9062 9.52602 -342.9 -31.8676 -353.404 -330.184 PRESSAVG: 370400 -9.71718 -4.19958 11.2699 -4.19957 45.6309 -14.5381 11.27 -14.538 -4.20683 GPRESSAVG: 370400 -10.4704 -7.21095 12.3253 -3.20123 46.664 -14.6712 10.2348 -15.0394 -4.58766 TIMING: 370400 CPU: 1165.11, 0.0031397/step Wall: 1165.11, 0.0031397/step, 4.03766 hours remaining, 235.691406 MB of memory in use. ENERGY: 370400 4039.9871 20460.6087 14440.8577 262.0233 -203226.5662 2519.2885 0.0000 0.0000 51851.8962 -109651.9047 297.9936 -161503.8010 -109289.6209 299.1131 -79.3730 -56.5452 761508.6751 10.5690 10.5353 PRESSURE: 370600 -141.116 71.8818 185.181 71.8827 -141.544 -26.5624 185.18 -26.5626 78.6047 GPRESSURE: 370600 -129.67 187.628 205.949 -27.2304 -4.16514 -79.9245 102.762 -109.525 22.1297 PRESSAVG: 370600 -22.0669 -28.0881 -3.25813 -28.0882 12.7645 -2.39655 -3.25818 -2.39659 2.50844 GPRESSAVG: 370600 -21.2942 -26.9713 -4.25969 -28.7037 11.6172 -2.93368 -4.38638 -4.15176 2.61676 TIMING: 370600 CPU: 1165.74, 0.00313533/step Wall: 1165.74, 0.00313533/step, 4.03186 hours remaining, 235.691406 MB of memory in use. ENERGY: 370600 3963.4142 20299.9386 14438.8065 249.5709 -203626.7131 2750.5302 0.0000 0.0000 52150.3672 -109774.0856 299.7089 -161924.4527 -109415.1793 298.4761 -68.0184 -37.2350 761231.5400 -2.2646 -2.3534 PRESSURE: 370800 287.514 120.901 -60.7077 120.901 13.3792 87.5102 -60.7074 87.5093 242.098 GPRESSURE: 370800 350.108 -27.6006 -48.326 63.9569 91.7774 144.468 -136.194 63.5545 186.081 PRESSAVG: 370800 22.9588 11.4669 6.56963 11.4669 15.9141 -44.8812 6.56965 -44.8811 29.3591 GPRESSAVG: 370800 23.3051 10.0657 7.68484 12.2474 16.0247 -44.7374 6.34697 -43.3624 28.8966 TIMING: 370800 CPU: 1166.37, 0.00313785/step Wall: 1166.37, 0.00313785/step, 4.03493 hours remaining, 235.691406 MB of memory in use. ENERGY: 370800 4024.8470 20285.3139 14382.7195 236.3654 -203411.0085 2723.4919 0.0000 0.0000 51964.7948 -109793.4759 298.6424 -161758.2707 -109432.5775 298.2578 180.9971 209.3223 758840.8094 22.7440 22.7421 PRESSURE: 371000 -113.685 2.55358 -50.8401 2.5527 253.655 181.421 -50.8411 181.423 -211.689 GPRESSURE: 371000 -108.958 27.8968 -60.4289 192.351 374.054 98.5694 58.7503 166.215 -241.869 PRESSAVG: 371000 -31.2889 26.46 -24.4547 26.46 58.6175 20.7292 -24.4547 20.7291 -6.95341 GPRESSAVG: 371000 -31.81 29.9801 -25.8952 24.6958 59.3796 20.7992 -22.8402 19.978 -7.37973 TIMING: 371000 CPU: 1166.99, 0.0031426/step Wall: 1166.99, 0.0031426/step, 4.04086 hours remaining, 235.691406 MB of memory in use. ENERGY: 371000 4033.9434 20262.3067 14418.9524 250.8727 -203080.6626 2495.3331 0.0000 0.0000 51767.5596 -109851.6948 297.5089 -161619.2544 -109495.1918 298.5222 -23.9064 7.7423 759045.3183 6.7917 6.7300 PRESSURE: 371200 22.5052 23.8018 12.2449 23.8018 56.902 138.233 12.2445 138.232 -285.143 GPRESSURE: 371200 22.788 -19.3314 5.23472 50.8927 128.204 127.974 154.542 149.887 -284.169 PRESSAVG: 371200 -74.144 4.89747 16.5572 4.89753 73.9078 -4.56216 16.5572 -4.56216 17.9046 GPRESSAVG: 371200 -74.0176 3.97704 17.521 7.12011 73.8355 -4.1864 17.0317 -6.24088 17.7608 TIMING: 371200 CPU: 1167.62, 0.00313955/step Wall: 1167.62, 0.00313955/step, 4.03676 hours remaining, 235.691406 MB of memory in use. ENERGY: 371200 4085.4634 20426.9514 14410.8785 234.6936 -203614.7187 2750.5416 0.0000 0.0000 52099.8848 -109606.3053 299.4188 -161706.1901 -109249.1136 298.7316 -68.5787 -44.3924 759527.0828 5.8895 5.8596 PRESSURE: 371400 -279.592 -30.1332 103.524 -30.1338 -365.28 -244.093 103.524 -244.095 -74.8474 GPRESSURE: 371400 -188.002 43.4265 127.708 -108.502 -287.776 -265.379 -41.867 -21.0246 -159.46 PRESSAVG: 371400 -0.562293 38.3587 -51.977 38.3587 32.5876 -40.9458 -51.9769 -40.9458 10.5523 GPRESSAVG: 371400 0.0610134 35.1761 -52.4906 39.1128 31.9483 -42.4975 -53.9197 -36.6605 10.7451 TIMING: 371400 CPU: 1168.25, 0.00315767/step Wall: 1168.25, 0.00315767/step, 4.05988 hours remaining, 235.691406 MB of memory in use. ENERGY: 371400 4001.8641 20462.7383 14429.2369 260.6096 -202966.6873 2382.4641 0.0000 0.0000 52004.3253 -109425.4491 298.8696 -161429.7744 -109066.1957 299.2026 -239.9065 -211.7462 760384.9754 14.1925 14.2515 PRESSURE: 371600 -225.794 -183.936 46.3676 -183.935 -87.4057 163.766 46.3678 163.766 567.715 GPRESSURE: 371600 -236.987 -235.26 96.7033 -97.8856 -60.6317 82.6184 91.8999 100.902 642.985 PRESSAVG: 371600 -42.4917 -10.1002 66.6282 -10.1002 54.8151 -36.3368 66.6282 -36.3367 -22.1974 GPRESSAVG: 371600 -43.5471 -6.44868 67.179 -12.2202 55.1506 -36.0346 67.7885 -39.4824 -21.3647 TIMING: 371600 CPU: 1168.88, 0.00315464/step Wall: 1168.88, 0.00315464/step, 4.05582 hours remaining, 235.691406 MB of memory in use. ENERGY: 371600 3894.9445 20529.3690 14401.8006 250.2939 -202783.1318 2289.5569 0.0000 0.0000 52070.6118 -109346.5550 299.2505 -161417.1669 -108985.3926 299.3796 84.8385 115.1221 761092.0974 -3.2913 -3.2538 PRESSURE: 371800 108.523 177.249 251.545 177.249 -67.3898 -51.8851 251.545 -51.8842 290.473 GPRESSURE: 371800 178.75 175.63 190.351 243.101 -42.7503 -69.523 319.577 -43.5962 292.139 PRESSAVG: 371800 -5.04039 -38.5416 30.0513 -38.5415 32.7481 -76.0197 30.0513 -76.0197 -9.59608 GPRESSAVG: 371800 -4.54607 -41.2382 30.9198 -37.8205 31.0452 -74.3506 30.5284 -76.637 -8.7795 TIMING: 371800 CPU: 1169.52, 0.00315733/step Wall: 1169.52, 0.00315733/step, 4.0591 hours remaining, 235.691406 MB of memory in use. ENERGY: 371800 4058.6447 20364.1060 14475.4762 244.5605 -203094.8306 2726.6220 0.0000 0.0000 52022.5085 -109202.9128 298.9741 -161225.4213 -108847.1360 299.5737 110.5354 142.7129 761648.0956 6.0372 5.9066 PRESSURE: 372000 -289.383 84.9729 169.889 84.9729 -156.387 -240.107 169.888 -240.107 -443.482 GPRESSURE: 372000 -238.306 73.5704 162.546 12.4499 -89.9552 -298.547 69.4642 -95.5511 -478.5 PRESSAVG: 372000 -34.3462 -15.6674 8.16324 -15.6675 21.3568 -12.2997 8.16328 -12.2996 13.7371 GPRESSAVG: 372000 -34.7252 -14.1689 6.52563 -14.5948 22.1566 -13.1882 8.75848 -10.8625 13.2631 TIMING: 372000 CPU: 1170.14, 0.0031373/step Wall: 1170.14, 0.0031373/step, 4.03318 hours remaining, 235.691406 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: 372000 3965.8017 20445.7700 14490.0551 237.9258 -203178.5718 2601.9149 0.0000 0.0000 52339.7210 -109097.3834 300.7971 -161437.1044 -108736.6896 299.8204 -296.4174 -268.9203 763312.4937 0.2492 0.2315 PRESSURE: 372200 -359.579 -33.1156 83.019 -33.1154 -490.615 -60.4435 83.0189 -60.4445 -75.6512 GPRESSURE: 372200 -362.108 -127.038 130.412 -68.9737 -385.352 -105.094 116.633 -45.0843 -84.1654 PRESSAVG: 372200 8.0427 -46.0702 4.42103 -46.0702 -13.3421 -30.6369 4.42105 -30.6369 1.34082 GPRESSAVG: 372200 9.25466 -47.4999 4.38972 -46.6862 -14.7082 -31.4693 3.31975 -29.5635 1.32019 TIMING: 372200 CPU: 1170.77, 0.00313139/step Wall: 1170.77, 0.00313139/step, 4.0254 hours remaining, 235.691406 MB of memory in use. ENERGY: 372200 4038.7174 20409.5039 14461.1593 259.6195 -203121.5522 2608.1256 0.0000 0.0000 52260.8202 -109083.6063 300.3437 -161344.4265 -108723.4664 300.0396 -308.6153 -277.2083 763068.3608 -1.3195 -1.3778 LDB: ============= START OF LOAD BALANCING ============== 1183.22 LDB: ============== END OF LOAD BALANCING =============== 1183.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1183.22 LDB: ============= START OF LOAD BALANCING ============== 1183.54 LDB: Largest compute 7026 load 0.034620 is 17.8% of average load 0.194872 LDB: Average compute 0.004381 is 2.2% of average load 0.194872 LDB: TIME 1183.54 LOAD: AVG 0.194872 MAX 0.21301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.363 MB LDB: TIME 1183.54 LOAD: AVG 0.194872 MAX 0.21301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.566 MB LDB: TIME 1183.54 LOAD: AVG 0.194872 MAX 0.21301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.566 MB LDB: ============== END OF LOAD BALANCING =============== 1183.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1183.55 PRESSURE: 372400 -300.657 135.106 50.3701 135.106 73.7249 -75.7316 50.3697 -75.7314 59.0464 GPRESSURE: 372400 -238.302 192.52 14.8084 74.006 129.771 90.2105 98.0272 29.2853 20.752 PRESSAVG: 372400 -48.4689 -41.5836 33.5147 -41.5836 -20.8981 -9.32739 33.5147 -9.32736 -33.3977 GPRESSAVG: 372400 -49.4438 -36.1482 33.6599 -44.613 -18.703 -6.86323 32.6007 -11.6586 -34.6232 TIMING: 372400 CPU: 1171.41, 0.00322009/step Wall: 1171.41, 0.00322009/step, 4.13924 hours remaining, 234.078125 MB of memory in use. ENERGY: 372400 4011.2872 20534.1622 14470.3807 256.9941 -203335.8908 2628.2291 0.0000 0.0000 52150.0083 -109284.8291 299.7068 -161434.8374 -108919.5065 299.6516 -55.9619 -29.2598 763775.0584 -34.2549 -34.2567 PRESSURE: 372600 141.039 45.325 237.315 45.3245 293.771 18.7264 237.316 18.7256 224.008 GPRESSURE: 372600 201.801 -32.7987 196.633 23.3027 329.351 -3.58508 197.67 -53.0088 205.16 PRESSAVG: 372600 -20.9731 -20.3762 21.932 -20.3763 39.125 -83.2033 21.932 -83.2032 -25.8785 GPRESSAVG: 372600 -21.573 -26.439 23.4637 -17.7968 38.7078 -84.9272 22.1346 -80.5037 -25.137 TIMING: 372600 CPU: 1172.04, 0.00314104/step Wall: 1172.04, 0.00314104/step, 4.03746 hours remaining, 234.078125 MB of memory in use. ENERGY: 372600 3974.9773 20482.6684 14429.8389 260.8863 -203445.3545 2670.7829 0.0000 0.0000 52351.5044 -109274.6963 300.8648 -161626.2007 -108914.9789 299.4837 219.6060 245.4373 762385.2491 -2.5755 -2.6674 PRESSURE: 372800 114.896 -195.435 39.6891 -195.435 -208.542 8.94242 39.6886 8.94164 173.374 GPRESSURE: 372800 152.625 -65.8629 28.3324 -181.968 -120.995 54.0215 6.97679 -8.4391 148.77 PRESSAVG: 372800 -60.4054 -13.9593 -26.1758 -13.9594 39.7753 -27.5839 -26.1758 -27.5839 18.9094 GPRESSAVG: 372800 -59.6341 -12.3837 -28.9756 -15.0515 39.1124 -25.9747 -23.4866 -31.2404 18.5173 TIMING: 372800 CPU: 1172.67, 0.00313873/step Wall: 1172.67, 0.00313873/step, 4.03431 hours remaining, 234.078125 MB of memory in use. ENERGY: 372800 3947.1324 20363.2748 14502.3443 249.2866 -203487.6714 2836.4725 0.0000 0.0000 52429.7950 -109159.3659 301.3148 -161589.1609 -108795.8297 299.3600 26.5763 60.1334 762791.6185 -0.5736 -0.6681 PRESSURE: 373000 -216.463 -170.547 50.704 -170.547 197.548 -174.49 50.7034 -174.489 211.051 GPRESSURE: 373000 -130.06 -257.949 13.617 20.6327 205.863 -157.134 -65.8291 -67.6815 202.622 PRESSAVG: 373000 -19.8073 -68.4862 18.1832 -68.4862 5.85318 -6.67334 18.1832 -6.67332 -31.6958 GPRESSAVG: 373000 -18.7736 -67.2464 18.9749 -68.0944 4.83456 -8.38575 15.8125 -2.5385 -32.1168 TIMING: 373000 CPU: 1173.3, 0.0031391/step Wall: 1173.3, 0.0031391/step, 4.03461 hours remaining, 234.078125 MB of memory in use. ENERGY: 373000 4028.7679 20585.8487 14464.4105 255.0882 -203267.9340 2778.3025 0.0000 0.0000 52081.6978 -109073.8185 299.3142 -161155.5163 -108707.4282 299.5361 64.0450 92.8083 762422.2711 -15.2166 -15.3520 PRESSURE: 373200 -2.01932 -146.249 73.6196 -146.249 153.097 232.777 73.6207 232.776 449.013 GPRESSURE: 373200 -57.5514 -172.306 1.01675 -280.658 196.866 267.268 224.634 44.5793 529.791 PRESSAVG: 373200 -69.4087 64.7702 51.09 64.7702 67.2438 12.327 51.09 12.327 8.38626 GPRESSAVG: 373200 -72.3558 62.642 51.7884 65.3923 69.1297 13.1531 51.157 11.2221 8.99635 TIMING: 373200 CPU: 1173.93, 0.00315507/step Wall: 1173.93, 0.00315507/step, 4.05496 hours remaining, 234.078125 MB of memory in use. ENERGY: 373200 3919.0343 20554.8709 14487.9935 255.8690 -203454.0527 2869.3985 0.0000 0.0000 52170.5493 -109196.3372 299.8249 -161366.8865 -108836.0170 299.4335 200.0301 223.0351 760951.7809 2.0738 1.9234 PRESSURE: 373400 -293.471 -40.2048 235.403 -40.204 -110.455 -267.279 235.403 -267.28 -9.03513 GPRESSURE: 373400 -172.203 -6.82183 156.315 -117.149 -174.376 -255.712 226.651 -309.58 28.3461 PRESSAVG: 373400 -63.32 -23.2165 48.411 -23.2165 27.0994 -12.4575 48.411 -12.4575 0.0943898 GPRESSAVG: 373400 -62.861 -22.107 47.1108 -22.4598 25.9776 -12.1279 48.1225 -13.6193 0.571718 TIMING: 373400 CPU: 1174.56, 0.00313308/step Wall: 1174.56, 0.00313308/step, 4.02653 hours remaining, 234.078125 MB of memory in use. ENERGY: 373400 3997.9373 20376.8307 14477.2464 258.9355 -203116.8924 2377.0351 0.0000 0.0000 52254.8283 -109374.0792 300.3092 -161628.9074 -109015.5003 299.3315 -137.6538 -106.0774 759787.2434 -12.0421 -12.1039 PRESSURE: 373600 -334.923 -188.732 -264.487 -188.732 15.7145 -138.887 -264.487 -138.887 -90.9584 GPRESSURE: 373600 -244.514 -169.025 -138.523 -75.016 -9.48998 -39.7205 -261.338 -219.429 -65.555 PRESSAVG: 373600 -32.0191 -30.928 47.4918 -30.928 22.3285 1.38128 47.4918 1.38126 26.9991 GPRESSAVG: 373600 -31.0847 -30.6881 49.8643 -30.806 21.572 0.834698 46.5943 1.57064 26.3833 TIMING: 373600 CPU: 1175.19, 0.00315624/step Wall: 1175.19, 0.00315624/step, 4.05612 hours remaining, 234.078125 MB of memory in use. ENERGY: 373600 4004.9251 20247.7316 14475.7814 254.8093 -203334.3297 2529.0874 0.0000 0.0000 52522.4238 -109299.5710 301.8471 -161821.9948 -108929.4400 300.0763 -136.7223 -106.5197 759850.2916 5.7695 5.6235 PRESSURE: 373800 291.681 -161.412 23.4494 -161.413 416.417 -247.933 23.4494 -247.932 94.3472 GPRESSURE: 373800 300.044 -319.772 -15.3494 -123.086 487.324 -382.057 127.839 -306.725 86.3555 PRESSAVG: 373800 -74.1355 -12.1651 38.1072 -12.1651 95.4436 -36.7093 38.1073 -36.7092 21.411 GPRESSAVG: 373800 -73.1122 -13.9532 38.126 -10.7117 96.0263 -37.0776 37.9293 -36.9248 20.1252 TIMING: 373800 CPU: 1175.82, 0.00317047/step Wall: 1175.82, 0.00317047/step, 4.07424 hours remaining, 234.078125 MB of memory in use. ENERGY: 373800 4017.0804 20625.1080 14444.6692 245.6426 -203429.8135 2733.6056 0.0000 0.0000 52359.1508 -109004.5570 300.9088 -161363.7078 -108643.6451 300.2734 267.4820 291.2411 761197.5676 14.2397 14.3464 PRESSURE: 374000 31.9749 -78.9113 -20.9558 -78.9118 -31.439 -351.176 -20.9554 -351.177 -49.1568 GPRESSURE: 374000 110.764 -51.2556 25.2519 -72.3503 -38.899 -350.68 -16.674 -285.787 -37.7055 PRESSAVG: 374000 -43.9099 -28.7958 33.9685 -28.7957 76.79 -54.6377 33.9687 -54.6378 26.9386 GPRESSAVG: 374000 -43.301 -27.8993 32.6693 -30.916 75.5232 -53.0439 34.2756 -55.3862 27.6981 TIMING: 374000 CPU: 1176.45, 0.00316649/step Wall: 1176.45, 0.00316649/step, 4.06894 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: 374000 3930.8351 20610.9576 14479.1671 233.0274 -203116.1344 2682.5338 0.0000 0.0000 52301.3967 -108878.2168 300.5768 -161179.6135 -108507.6294 300.8318 -16.2070 11.3865 761082.5319 19.9396 19.9734 PRESSURE: 374200 -187.233 96.5022 -118.877 96.503 119.445 -170.909 -118.876 -170.907 70.231 GPRESSURE: 374200 -157.296 37.1629 -142.236 151.399 128.518 -263.073 -19.3024 -239.668 106.19 PRESSAVG: 374200 -6.52959 17.3109 -50.6608 17.311 46.6814 -44.5167 -50.6607 -44.5167 -26.9149 GPRESSAVG: 374200 -8.15795 17.9725 -49.7898 16.1984 47.3936 -45.056 -49.0748 -43.6703 -26.1759 TIMING: 374200 CPU: 1177.08, 0.00313567/step Wall: 1177.08, 0.00313567/step, 4.02916 hours remaining, 234.078125 MB of memory in use. ENERGY: 374200 4047.6158 20661.3705 14526.5618 241.4301 -203212.2089 2667.2802 0.0000 0.0000 52112.0879 -108955.8626 299.4889 -161067.9505 -108586.0730 300.6242 0.8143 25.8041 760212.4245 4.4123 4.3533 PRESSURE: 374400 -111.769 31.093 -69.6649 31.0931 87.3397 -16.5129 -69.6639 -16.5135 -478.662 GPRESSURE: 374400 -78.9512 9.04668 -51.9635 55.398 91.3249 8.91765 -57.8831 -2.21854 -440.993 PRESSAVG: 374400 -44.4418 -45.4898 -19.3846 -45.4898 69.897 -11.6173 -19.3846 -11.6174 -0.572754 GPRESSAVG: 374400 -43.9512 -45.8659 -20.2621 -45.4044 70.1287 -12.4383 -19.17 -12.5111 -1.16476 TIMING: 374400 CPU: 1177.71, 0.0031433/step Wall: 1177.71, 0.0031433/step, 4.0388 hours remaining, 234.078125 MB of memory in use. ENERGY: 374400 3967.8131 20606.4519 14493.9402 243.3047 -203132.2637 2411.9091 0.0000 0.0000 52142.6981 -109266.1465 299.6648 -161408.8445 -108906.7287 300.3577 -167.6970 -142.8732 760387.8025 8.2941 8.3376 PRESSURE: 374600 -397.462 32.4038 59.5558 32.4047 -291.481 140.543 59.5562 140.543 -331.382 GPRESSURE: 374600 -412.95 -74.6614 84.7583 -13.9569 -169.099 154.264 106.241 146.175 -341.904 PRESSAVG: 374600 -14.9317 0.251574 6.49689 0.251536 21.7011 -10.4947 6.49685 -10.4946 -13.6824 GPRESSAVG: 374600 -14.8265 -1.90254 7.05739 1.19317 19.9958 -10.447 4.50552 -9.67362 -12.6528 TIMING: 374600 CPU: 1178.33, 0.00312295/step Wall: 1178.33, 0.00312295/step, 4.01247 hours remaining, 234.078125 MB of memory in use. ENERGY: 374600 4005.1108 20506.9423 14465.6090 230.3477 -203283.8195 2435.1262 0.0000 0.0000 52166.1413 -109474.5423 299.7995 -161640.6836 -109107.4329 299.7975 -340.1082 -307.9844 761805.5368 -2.3043 -2.4945 PRESSURE: 374800 -58.1975 -21.8583 -62.6761 -21.8582 -85.72 -156.967 -62.6774 -156.966 -58.7474 GPRESSURE: 374800 -108.798 -49.0873 -80.408 16.9008 -41.5664 -158.813 5.48973 -68.5043 34.9058 PRESSAVG: 374800 -51.9617 -56.6691 1.51001 -56.6691 33.9808 -27.5944 1.51003 -27.5944 1.27996 GPRESSAVG: 374800 -53.0507 -53.8136 -2.60448 -57.7552 35.3095 -24.5021 6.98508 -29.7456 0.429705 TIMING: 374800 CPU: 1178.97, 0.00316786/step Wall: 1178.97, 0.00316786/step, 4.07 hours remaining, 234.078125 MB of memory in use. ENERGY: 374800 3985.5581 20537.3248 14439.0686 236.2235 -203294.4951 2490.7036 0.0000 0.0000 51850.7085 -109754.9081 297.9867 -161605.6166 -109395.7598 299.3119 -67.5550 -38.4862 762255.4496 -5.5670 -5.7705 PRESSURE: 375000 69.1479 -40.188 -203.858 -40.1883 148.063 136.682 -203.859 136.682 -27.6527 GPRESSURE: 375000 32.0295 -80.5073 -153.571 -81.3467 171.895 67.4702 -349.177 120.327 46.1112 PRESSAVG: 375000 11.3128 -52.338 -19.4201 -52.3381 27.522 -28.4446 -19.4202 -28.4446 -17.6141 GPRESSAVG: 375000 11.6526 -53.427 -16.59 -50.9072 26.4356 -29.6621 -23.1919 -25.9935 -17.1004 TIMING: 375000 CPU: 1179.6, 0.00314516/step Wall: 1179.6, 0.00314516/step, 4.04065 hours remaining, 234.078125 MB of memory in use. ENERGY: 375000 3961.9422 20605.9424 14502.6880 242.7398 -203514.2584 2575.7080 0.0000 0.0000 51900.4803 -109724.7578 298.2728 -161625.2380 -109364.1961 298.7348 63.1860 83.3453 761287.4089 7.0736 6.9959 PRESSURE: 375200 -88.5695 54.0895 -14.2752 54.0895 17.6013 -181.823 -14.2758 -181.824 13.8357 GPRESSURE: 375200 -61.4866 39.0821 16.7312 24.313 -23.3465 -196.017 102.094 -91.4372 99.3562 PRESSAVG: 375200 10.9875 -41.6347 -29.4586 -41.6347 -29.3471 21.2572 -29.4586 21.2572 4.20404 GPRESSAVG: 375200 11.6309 -41.8579 -28.4947 -43.008 -29.8421 21.0301 -29.5436 19.796 4.39968 TIMING: 375200 CPU: 1180.22, 0.00313887/step Wall: 1180.22, 0.00313887/step, 4.0324 hours remaining, 234.078125 MB of memory in use. ENERGY: 375200 4023.5345 20468.6654 14483.0951 247.2013 -203717.8270 2692.7681 0.0000 0.0000 52299.0239 -109503.5386 300.5632 -161802.5625 -109151.3353 298.9892 -19.0442 4.8410 761074.6904 -4.7185 -4.6038 PRESSURE: 375400 2.33355 -44.6927 59.4237 -44.6925 126.383 -131.4 59.4247 -131.4 147.698 GPRESSURE: 375400 48.0535 -33.6294 43.8262 -17.0516 185.092 -201.413 -34.6196 -47.7624 127.294 PRESSAVG: 375400 -17.6285 -40.0813 32.666 -40.0814 6.88772 -27.5425 32.6659 -27.5425 6.54011 GPRESSAVG: 375400 -17.0808 -39.8102 32.6481 -39.9311 8.56988 -26.4327 33.7428 -28.9788 4.75184 TIMING: 375400 CPU: 1180.85, 0.00312351/step Wall: 1180.85, 0.00312351/step, 4.0125 hours remaining, 234.078125 MB of memory in use. ENERGY: 375400 3965.9440 20488.3665 14462.6374 261.5298 -203406.9442 2635.7147 0.0000 0.0000 51897.4223 -109695.3294 298.2552 -161592.7517 -109332.0953 299.3338 92.1381 120.1465 762573.6728 -1.4002 -1.2530 PRESSURE: 375600 336.79 113.08 -22.803 113.081 61.0089 -147.608 -22.8037 -147.608 641.032 GPRESSURE: 375600 370.197 117.853 -7.50691 131.425 125.496 -222.696 -9.83994 14.1995 648.217 PRESSAVG: 375600 0.622049 -4.70479 39.3746 -4.70477 -25.9434 -77.2016 39.3747 -77.2016 -5.60124 GPRESSAVG: 375600 0.991348 -5.10936 40.3851 -5.16018 -26.9312 -74.9919 40.0931 -76.2445 -4.82712 TIMING: 375600 CPU: 1181.48, 0.00316921/step Wall: 1181.48, 0.00316921/step, 4.07102 hours remaining, 234.078125 MB of memory in use. ENERGY: 375600 4054.8261 20542.1348 14458.4165 250.2122 -203983.4245 2994.5792 0.0000 0.0000 52008.8594 -109674.3964 298.8956 -161683.2558 -109308.8464 298.9161 346.2770 381.3031 760502.4451 -10.3075 -10.2557 PRESSURE: 375800 23.8658 -71.5292 173.909 -71.5285 -141.423 102.985 173.909 102.984 -392.861 GPRESSURE: 375800 31.2007 -186.213 253.277 18.3127 -133.289 75.4375 138.072 103.735 -336.433 PRESSAVG: 375800 34.4851 18.6865 3.8736 18.6864 -36.9339 -30.6059 3.87368 -30.6059 -9.62053 GPRESSAVG: 375800 32.7072 17.6822 2.25226 20.6053 -36.0184 -34.0719 1.07838 -29.1664 -9.25266 TIMING: 375800 CPU: 1182.11, 0.00315527/step Wall: 1182.11, 0.00315527/step, 4.05295 hours remaining, 234.078125 MB of memory in use. ENERGY: 375800 4016.3979 20631.7156 14367.6286 230.2262 -203641.6798 2704.1565 0.0000 0.0000 51985.2795 -109706.2756 298.7601 -161691.5551 -109343.9087 298.9494 -170.1395 -146.1736 761268.7565 -4.0231 -4.1879 PRESSURE: 376000 -94.0759 -97.8693 -77.111 -97.8696 -291.359 0.567462 -77.1108 0.56618 -461.96 GPRESSURE: 376000 -20.0197 -133.475 -81.9534 -146.335 -319.099 85.1752 -55.4095 -96.7078 -413.756 PRESSAVG: 376000 17.3755 -0.554779 37.8244 -0.554772 2.65525 -45.2478 37.8244 -45.2478 -1.79101 GPRESSAVG: 376000 18.9786 -0.725169 38.7152 0.0398486 1.36376 -44.7176 40.167 -46.9518 -2.15582 TIMING: 376000 CPU: 1182.74, 0.00311931/step Wall: 1182.74, 0.00311931/step, 4.00658 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: 376000 4002.4898 20475.8665 14503.2825 258.8514 -203771.3199 2648.5335 0.0000 0.0000 52388.3803 -109493.9159 301.0767 -161882.2962 -109118.3103 299.0796 -282.4650 -250.9581 761234.1830 6.0799 6.0622 PRESSURE: 376200 152.733 -96.1912 -117.339 -96.1918 135.178 6.85747 -117.338 6.8571 170.656 GPRESSURE: 376200 228.608 4.76588 -241.483 88.2241 139.322 11.5892 -30.1746 112.992 172.022 PRESSAVG: 376200 51.107 3.49613 -13.4627 3.4961 -104.441 -8.39388 -13.4627 -8.39389 -21.6467 GPRESSAVG: 376200 50.7023 4.08059 -14.5634 3.67795 -104.151 -8.33183 -14.2988 -5.99849 -22.2331 TIMING: 376200 CPU: 1183.37, 0.00313942/step Wall: 1183.37, 0.00313942/step, 4.03223 hours remaining, 234.078125 MB of memory in use. ENERGY: 376200 3936.2273 20728.2809 14491.4778 258.9641 -203252.4913 2612.6525 0.0000 0.0000 51861.1344 -109363.7543 298.0467 -161224.8887 -109012.8561 298.8801 152.8555 179.9839 762188.8495 -24.9936 -25.2274 LDB: ============= START OF LOAD BALANCING ============== 1195.82 LDB: ============== END OF LOAD BALANCING =============== 1195.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1195.82 LDB: ============= START OF LOAD BALANCING ============== 1196.13 LDB: Largest compute 7026 load 0.034462 is 17.7% of average load 0.194979 LDB: Average compute 0.004371 is 2.2% of average load 0.194979 LDB: TIME 1196.14 LOAD: AVG 0.194979 MAX 0.215244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 1196.14 LOAD: AVG 0.194979 MAX 0.215244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: TIME 1196.14 LOAD: AVG 0.194979 MAX 0.215244 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: ============== END OF LOAD BALANCING =============== 1196.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1196.14 PRESSURE: 376400 -235.484 -79.5333 138.857 -79.5332 -461.609 309.89 138.857 309.889 79.9883 GPRESSURE: 376400 -274.753 -54.9272 76.8017 -159.199 -369.97 250.698 183.074 219.517 96.7026 PRESSAVG: 376400 1.19619 -18.6738 12.2069 -18.6738 12.0589 1.10016 12.207 1.10018 17.9877 GPRESSAVG: 376400 0.622758 -17.8134 13.4662 -20.8497 12.8016 -0.327743 12.6443 1.64033 16.961 TIMING: 376400 CPU: 1184.01, 0.00320326/step Wall: 1184.01, 0.00320326/step, 4.11405 hours remaining, 234.484375 MB of memory in use. ENERGY: 376400 3977.1670 20702.3714 14465.9192 240.6451 -203067.9670 2225.7028 0.0000 0.0000 52057.7785 -109398.3831 299.1768 -161456.1616 -109040.6332 299.5744 -205.7016 -182.6733 762512.2495 10.4143 10.1284 PRESSURE: 376600 246.621 59.6816 145.991 59.6814 -83.5245 -99.2024 145.991 -99.202 -18.5329 GPRESSURE: 376600 198.753 -119.112 83.3298 32.2634 -3.26031 -169.224 -2.83217 -28.4743 27.6533 PRESSAVG: 376600 40.0838 -19.8316 62.4837 -19.8316 -21.6981 -11.8292 62.4837 -11.8292 -12.9898 GPRESSAVG: 376600 40.5367 -20.7385 60.6092 -17.7109 -22.4494 -9.25978 63.0976 -15.4485 -12.822 TIMING: 376600 CPU: 1184.63, 0.00313852/step Wall: 1184.63, 0.00313852/step, 4.03073 hours remaining, 234.484375 MB of memory in use. ENERGY: 376600 3959.9584 20532.3410 14460.6034 233.5899 -203019.7582 2234.7624 0.0000 0.0000 52261.5067 -109336.9964 300.3476 -161598.5031 -108964.1342 299.4752 48.1878 74.3819 761546.3973 1.7986 1.7551 PRESSURE: 376800 58.7821 36.3176 -157.166 36.3182 -118.49 -100.788 -157.166 -100.787 -205.234 GPRESSURE: 376800 122.185 16.1881 -224.832 82.1288 -163.324 -116.524 -100.206 -36.7987 -134.771 PRESSAVG: 376800 2.19724 -19.7034 36.6348 -19.7034 -5.14659 -46.9896 36.6347 -46.9895 6.52833 GPRESSAVG: 376800 1.1687 -16.9616 37.3725 -21.8656 -4.47461 -47.4092 37.2025 -44.2204 7.07723 TIMING: 376800 CPU: 1185.26, 0.00314747/step Wall: 1185.26, 0.00314747/step, 4.04205 hours remaining, 234.484375 MB of memory in use. ENERGY: 376800 4019.1408 20623.7995 14412.6173 241.0458 -203108.1381 2376.4918 0.0000 0.0000 51884.4907 -109550.5522 298.1809 -161435.0429 -109197.4777 298.9849 -88.3141 -58.6368 762068.9300 1.1930 1.2571 PRESSURE: 377000 -102.452 118.192 143.154 118.192 -19.7449 -64.4473 143.153 -64.4478 55.938 GPRESSURE: 377000 -92.9336 13.9861 90.9652 42.6529 64.8622 -67.4255 139.308 -13.2047 42.0228 PRESSAVG: 377000 -22.9631 -68.634 -13.7712 -68.6339 48.6773 1.93656 -13.7712 1.9365 1.27933 GPRESSAVG: 377000 -22.2625 -69.3813 -13.5638 -69.4423 48.3564 -0.318106 -15.9486 0.828341 0.953235 TIMING: 377000 CPU: 1185.89, 0.00315043/step Wall: 1185.89, 0.00315043/step, 4.04567 hours remaining, 234.484375 MB of memory in use. ENERGY: 377000 3979.9375 20429.0617 14428.5519 264.0678 -203273.5748 2690.0515 0.0000 0.0000 51978.1964 -109503.7079 298.7194 -161481.9043 -109139.7069 298.9360 -22.0863 4.6505 761399.4675 8.9978 9.0157 PRESSURE: 377200 78.1483 -235.478 30.0279 -235.477 247.745 108.109 30.0278 108.109 108.403 GPRESSURE: 377200 118.402 -220.016 -15.8111 -202.886 177.986 203.796 91.2692 113.22 221.683 PRESSAVG: 377200 -5.17338 -93.3063 -71.7437 -93.3063 -28.1915 4.95461 -71.7437 4.95456 12.192 GPRESSAVG: 377200 -5.61369 -94.5848 -74.1259 -92.625 -27.6137 6.14608 -67.998 4.85485 12.357 TIMING: 377200 CPU: 1186.52, 0.00314605/step Wall: 1186.52, 0.00314605/step, 4.03988 hours remaining, 234.484375 MB of memory in use. ENERGY: 377200 3960.9440 20488.3539 14477.2765 260.0800 -203466.7360 2779.5778 0.0000 0.0000 52095.9414 -109404.5623 299.3961 -161500.5037 -109042.0008 299.2112 144.7653 172.6904 762454.9986 -7.0576 -6.9568 PRESSURE: 377400 47.4795 -86.4384 -124.697 -86.4382 338.243 -123.607 -124.696 -123.606 -24.698 GPRESSURE: 377400 97.1025 -5.11902 -254.862 -22.2766 279.197 -126.507 -78.143 -169.402 80.0743 PRESSAVG: 377400 -37.1257 -49.8923 4.5786 -49.8923 15.3444 -4.73494 4.57865 -4.7349 -5.49937 GPRESSAVG: 377400 -36.1907 -49.3958 6.13635 -47.8751 14.8471 -4.45279 1.43232 -4.60856 -6.28196 TIMING: 377400 CPU: 1187.15, 0.00313225/step Wall: 1187.15, 0.00313225/step, 4.02198 hours remaining, 234.484375 MB of memory in use. ENERGY: 377400 3959.7796 20696.0740 14454.5439 241.8974 -203344.2148 2705.5443 0.0000 0.0000 52049.5264 -109236.8492 299.1293 -161286.3756 -108880.7958 299.5821 120.3414 152.1247 762007.2511 -9.0936 -9.2085 PRESSURE: 377600 35.4007 -69.724 131.861 -69.7224 -123.093 1.09048 131.861 1.08929 -139.798 GPRESSURE: 377600 69.5635 55.4425 218.881 1.36956 -123.486 -47.4233 209.633 19.2551 -59.0788 PRESSAVG: 377600 9.32374 -26.7248 10.004 -26.7248 -20.0974 -47.8523 10.004 -47.8522 19.0953 GPRESSAVG: 377600 9.5511 -25.206 10.7263 -29.4036 -20.3672 -46.5673 10.054 -48.1404 19.6475 TIMING: 377600 CPU: 1187.78, 0.00314492/step Wall: 1187.78, 0.00314492/step, 4.03808 hours remaining, 234.484375 MB of memory in use. ENERGY: 377600 3930.8063 20551.5655 14487.2512 259.0249 -203037.9068 2521.2260 0.0000 0.0000 52062.6528 -109225.3801 299.2048 -161288.0329 -108860.0212 299.7583 -75.8303 -37.6672 761809.6022 2.7739 2.9438 PRESSURE: 377800 -82.5201 86.1534 240.321 86.1533 -227.798 130.424 240.321 130.426 254.053 GPRESSURE: 377800 -88.0621 76.5279 178.819 -29.5984 -69.267 23.042 214.956 108.125 191.592 PRESSAVG: 377800 -42.8588 -41.1593 -24.5591 -41.1593 53.7319 -20.9691 -24.5591 -20.9692 -5.65498 GPRESSAVG: 377800 -43.889 -43.7783 -25.9566 -39.1259 55.4276 -21.2198 -22.3119 -22.2493 -6.16678 TIMING: 377800 CPU: 1188.41, 0.00314141/step Wall: 1188.41, 0.00314141/step, 4.0334 hours remaining, 234.484375 MB of memory in use. ENERGY: 377800 3994.4082 20510.6221 14453.4294 251.1124 -203188.3164 2459.9682 0.0000 0.0000 52373.5717 -109145.2043 300.9916 -161518.7760 -108774.7398 299.8899 -18.7552 11.4211 761822.2084 1.7394 1.7906 PRESSURE: 378000 -356.014 56.3183 -33.7366 56.3181 -119.496 120.687 -33.7367 120.688 -260.197 GPRESSURE: 378000 -354.35 -4.83029 -18.9906 -130.505 -79.1147 195.497 94.8037 141.578 -224.961 PRESSAVG: 378000 -13.4788 -65.0993 -16.1452 -65.0993 26.9703 6.41282 -16.1452 6.41278 14.5677 GPRESSAVG: 378000 -12.1559 -63.7502 -14.9448 -67.4551 25.9331 5.09873 -17.7591 8.90755 14.8443 TIMING: 378000 CPU: 1189.04, 0.00314469/step Wall: 1189.04, 0.00314469/step, 4.03743 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: 378000 4045.6439 20715.3367 14434.6311 235.5875 -202878.7001 2267.3702 0.0000 0.0000 52159.8836 -109020.2471 299.7636 -161180.1307 -108667.7977 300.1125 -245.2354 -219.4750 762766.2910 9.3530 9.5405 PRESSURE: 378200 -10.46 -61.8548 -165.717 -61.855 -66.1868 -83.4462 -165.718 -83.4466 309.268 GPRESSURE: 378200 63.2373 -73.0706 -266.634 -84.4206 7.61432 -132.975 -162.367 -22.5638 229.121 PRESSAVG: 378200 1.59275 -89.0381 15.038 -89.0382 33.0687 21.5369 15.0379 21.5368 3.56798 GPRESSAVG: 378200 1.36855 -88.7326 15.759 -86.2539 33.3939 23.3009 14.9237 21.129 3.46679 TIMING: 378200 CPU: 1189.66, 0.00312727/step Wall: 1189.66, 0.00312727/step, 4.01489 hours remaining, 234.484375 MB of memory in use. ENERGY: 378200 4025.0294 20481.9103 14391.6346 242.4233 -202790.2014 2266.4233 0.0000 0.0000 52224.7388 -109158.0416 300.1363 -161382.7804 -108785.2014 300.5013 77.5403 99.9907 760028.2215 12.7431 12.7431 PRESSURE: 378400 117.281 304.156 34.2684 304.155 -253.365 -29.2519 34.2688 -29.2518 75.828 GPRESSURE: 378400 140.62 213.371 54.0214 280.903 -220.002 -58.067 132.175 4.93407 108.76 PRESSAVG: 378400 -8.51515 -19.1938 -8.10929 -19.1939 -43.1466 13.8798 -8.10932 13.8798 0.839182 GPRESSAVG: 378400 -10.2244 -20.0538 -7.38177 -21.6298 -42.5806 13.0748 -10.3548 13.3958 1.75049 TIMING: 378400 CPU: 1190.29, 0.00314502/step Wall: 1190.29, 0.00314502/step, 4.0375 hours remaining, 234.484375 MB of memory in use. ENERGY: 378400 3945.0590 20548.0081 14509.6641 249.8406 -203280.9269 2479.7975 0.0000 0.0000 52365.2204 -109183.3373 300.9436 -161548.5577 -108824.5938 299.9420 -20.0853 9.7927 760716.2340 -16.9408 -17.0182 PRESSURE: 378600 -269.273 214.154 -72.445 214.154 56.6345 62.1367 -72.4439 62.1384 -94.1016 GPRESSURE: 378600 -117.905 250.597 39.4659 -1.19261 2.80675 144.161 -73.7174 51.6715 -110.105 PRESSAVG: 378600 26.271 -46.8313 7.85759 -46.8314 -16.597 -12.2237 7.8576 -12.2237 24.6735 GPRESSAVG: 378600 27.0058 -43.9096 8.19578 -47.4187 -17.3263 -11.4159 9.04237 -10.7172 24.5505 TIMING: 378600 CPU: 1190.92, 0.00314547/step Wall: 1190.92, 0.00314547/step, 4.03791 hours remaining, 234.484375 MB of memory in use. ENERGY: 378600 4028.4721 20558.6057 14443.6981 260.4003 -203245.9997 2373.8674 0.0000 0.0000 52258.9143 -109322.0418 300.3327 -161580.9561 -108953.9493 300.2669 -102.2467 -75.0677 760553.3010 11.4492 11.4100 PRESSURE: 378800 -182.831 61.5444 256.295 61.544 -174.976 80.435 256.295 80.4344 677.306 GPRESSURE: 378800 -138.375 -138.354 133.022 93.3801 -191.956 16.6691 77.835 -21.6827 724.668 PRESSAVG: 378800 -81.5134 3.09377 -12.1771 3.0938 63.5743 -29.6449 -12.1772 -29.6449 0.725319 GPRESSAVG: 378800 -81.1401 -0.153181 -14.7382 6.516 63.0868 -31.4143 -10.2575 -31.3223 0.768632 TIMING: 378800 CPU: 1191.55, 0.00317222/step Wall: 1191.55, 0.00317222/step, 4.07207 hours remaining, 234.484375 MB of memory in use. ENERGY: 378800 4002.8939 20524.5009 14435.3602 225.8560 -203378.3116 2560.3348 0.0000 0.0000 52278.7800 -109350.5858 300.4469 -161629.3658 -108981.6852 300.0420 106.4995 131.4456 759762.2525 -5.7379 -5.7616 PRESSURE: 379000 -207.576 30.1243 52.3797 30.1243 -26.7266 -74.6148 52.3802 -74.6153 -107.637 GPRESSURE: 379000 -118.391 99.3226 50.5283 -108.024 -15.5744 -100.754 -15.9237 -50.2541 -128.648 PRESSAVG: 379000 -30.5523 -6.23041 -10.294 -6.23037 11.2644 -11.9201 -10.294 -11.9201 -9.6807 GPRESSAVG: 379000 -30.4514 -4.00668 -10.4641 -6.71521 12.2037 -12.2678 -10.8726 -9.2902 -9.96065 TIMING: 379000 CPU: 1192.19, 0.00317484/step Wall: 1192.19, 0.00317484/step, 4.07526 hours remaining, 234.484375 MB of memory in use. ENERGY: 379000 3953.4980 20633.4130 14501.5064 245.3085 -202892.5220 2150.3814 0.0000 0.0000 52062.9758 -109345.4390 299.2066 -161408.4148 -108973.9481 299.4201 -113.9798 -87.5377 759743.7701 -9.6562 -9.4028 PRESSURE: 379200 -455.232 -165.256 -33.9282 -165.256 -366.728 -84.0823 -33.9291 -84.0821 14.3285 GPRESSURE: 379200 -367.953 -150.353 7.00098 -207.645 -368.283 -44.9373 18.2483 -108.359 0.229267 PRESSAVG: 379200 -75.1628 -6.76899 0.341138 -6.76901 52.9316 -11.2809 0.341073 -11.2809 11.6941 GPRESSAVG: 379200 -75.2708 -6.78148 0.189634 -6.55552 52.2856 -10.6018 1.95736 -12.2505 11.5366 TIMING: 379200 CPU: 1192.82, 0.00316471/step Wall: 1192.82, 0.00316471/step, 4.06209 hours remaining, 234.484375 MB of memory in use. ENERGY: 379200 3918.4913 20682.1957 14563.7791 243.3123 -203061.1739 2106.6166 0.0000 0.0000 52182.5701 -109364.2088 299.8939 -161546.7789 -108996.8181 299.7288 -269.2104 -245.3356 761547.8645 -3.5124 -3.8162 PRESSURE: 379400 -360.033 40.0146 223.253 40.0145 -53.7304 136.114 223.252 136.115 -253.455 GPRESSURE: 379400 -267.467 79.0676 196.269 2.11669 -45.76 126.517 147.504 146.694 -289.76 PRESSAVG: 379400 -47.2141 -42.9679 -25.6024 -42.9679 33.839 0.44494 -25.6024 0.44494 2.8633 GPRESSAVG: 379400 -46.87 -43.9725 -24.6921 -42.6908 33.0983 0.574613 -28.1064 0.0478448 3.54003 TIMING: 379400 CPU: 1193.45, 0.00315814/step Wall: 1193.45, 0.00315814/step, 4.05347 hours remaining, 234.484375 MB of memory in use. ENERGY: 379400 4049.0632 20571.2242 14523.6378 253.0717 -203078.4994 2344.2470 0.0000 0.0000 52188.6032 -109148.6523 299.9286 -161337.2555 -108779.3047 299.9974 -222.4061 -200.9958 761421.2899 -3.5040 -3.4105 PRESSURE: 379600 -118.084 27.4747 -161.353 27.4751 -340.079 98.0178 -161.353 98.0185 -441.18 GPRESSURE: 379600 -52.358 26.6419 -106.075 32.2402 -437.944 86.4055 -205.118 -28.298 -329.514 PRESSAVG: 379600 -25.8184 -2.09737 19.9687 -2.0974 27.4761 -2.05381 19.9687 -2.05389 -6.16825 GPRESSAVG: 379600 -26.6739 -2.28483 21.8447 -2.00144 27.5208 -0.971649 19.1626 -4.19675 -5.71512 TIMING: 379600 CPU: 1194.08, 0.00314863/step Wall: 1194.08, 0.00314863/step, 4.04109 hours remaining, 234.484375 MB of memory in use. ENERGY: 379600 4040.4385 20652.3690 14454.6813 245.1525 -202636.8879 2035.4760 0.0000 0.0000 52035.9332 -109172.8375 299.0512 -161208.7707 -108813.2681 300.2775 -299.7809 -273.2721 763150.1208 -1.5035 -1.6227 PRESSURE: 379800 -228.893 -22.8506 203.331 -22.8499 90.6476 242.028 203.331 242.029 -263.385 GPRESSURE: 379800 -110.762 -81.8516 197.975 -48.4811 72.0291 193.188 316.16 380.131 -276.962 PRESSAVG: 379800 -34.1814 -19.0897 48.9969 -19.0897 24.5168 -2.53824 48.997 -2.53828 -6.76867 GPRESSAVG: 379800 -33.1305 -18.8358 47.3622 -19.3206 23.9042 -2.7579 50.2259 -0.751628 -7.26617 TIMING: 379800 CPU: 1194.71, 0.00315491/step Wall: 1194.71, 0.00315491/step, 4.04897 hours remaining, 234.484375 MB of memory in use. ENERGY: 379800 3998.6226 20506.0421 14451.9348 237.0462 -203294.7523 2472.0852 0.0000 0.0000 52346.1842 -109282.8371 300.8342 -161629.0214 -108914.4393 299.6846 -133.8768 -105.2316 760269.3355 -5.4778 -5.4975 PRESSURE: 380000 -23.1117 -20.5554 -101.997 -20.5557 59.4455 0.799699 -101.997 0.799975 126.634 GPRESSURE: 380000 9.84391 -56.438 -32.1609 -63.1718 161.723 -145.706 -40.9993 -26.9335 102.851 PRESSAVG: 380000 -15.0576 -47.9766 3.91127 -47.9765 -42.4938 -7.2922 3.91124 -7.29223 13.1725 GPRESSAVG: 380000 -14.4191 -48.3939 3.78209 -48.855 -41.7276 -9.34139 5.05146 -6.21016 11.9689 TIMING: 380000 CPU: 1195.35, 0.00316834/step Wall: 1195.35, 0.00316834/step, 4.06603 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: 380000 3965.9118 20420.6922 14460.8949 250.1723 -202962.7019 2441.7945 0.0000 0.0000 52153.7285 -109269.5077 299.7282 -161423.2362 -108900.6780 299.7657 54.3225 91.4726 760654.9410 -14.7930 -14.7260 PRESSURE: 380200 -130.408 17.0965 -125.612 17.0971 48.8663 26.0337 -125.611 26.0338 73.211 GPRESSURE: 380200 -61.6913 121.243 -65.6783 -152.24 114.969 -41.2195 64.1973 -24.2802 0.390324 PRESSAVG: 380200 -73.1114 -16.9242 -1.34028 -16.9242 9.96207 15.9493 -1.34024 15.9492 -15.3756 GPRESSAVG: 380200 -73.8441 -16.2396 -0.654848 -18.2108 11.0624 16.3403 -0.0466395 17.4701 -16.0227 TIMING: 380200 CPU: 1195.98, 0.0031532/step Wall: 1195.98, 0.0031532/step, 4.04644 hours remaining, 234.484375 MB of memory in use. ENERGY: 380200 4005.3776 20419.8197 14466.2762 244.3668 -203905.9311 2806.9828 0.0000 0.0000 52450.7511 -109512.3569 301.4352 -161963.1080 -109141.5147 299.5134 -2.7769 17.8894 759804.0873 -26.1750 -26.2681 LDB: ============= START OF LOAD BALANCING ============== 1208.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1208.43 LDB: =============== DONE WITH MIGRATION ================ 1208.43 LDB: ============= START OF LOAD BALANCING ============== 1208.75 LDB: Largest compute 7026 load 0.034525 is 17.7% of average load 0.194877 LDB: Average compute 0.004374 is 2.2% of average load 0.194877 LDB: TIME 1208.75 LOAD: AVG 0.194877 MAX 0.215999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.766 MB LDB: TIME 1208.75 LOAD: AVG 0.194877 MAX 0.215999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: TIME 1208.75 LOAD: AVG 0.194877 MAX 0.215999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: ============== END OF LOAD BALANCING =============== 1208.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1208.76 PRESSURE: 380400 40.5384 -180.218 93.3298 -180.218 333.884 -90.8248 93.3304 -90.8242 333.474 GPRESSURE: 380400 64.2313 -110.786 86.7587 -85.0924 327.304 -72.4469 36.7243 -85.5821 388.469 PRESSAVG: 380400 -6.64903 -1.41956 -12.1789 -1.41959 2.18411 -34.715 -12.179 -34.7149 11.2468 GPRESSAVG: 380400 -7.66845 -0.78408 -13.5195 -0.146949 2.1337 -33.8584 -13.827 -35.9331 11.9117 TIMING: 380400 CPU: 1196.62, 0.00322425/step Wall: 1196.62, 0.00322425/step, 4.13743 hours remaining, 235.054688 MB of memory in use. ENERGY: 380400 3874.8457 20469.6263 14470.3648 248.3322 -203577.5705 2729.7971 0.0000 0.0000 52257.0376 -109527.5668 300.3219 -161784.6044 -109165.9458 299.6499 235.9655 260.0014 761014.2193 2.2606 2.1257 PRESSURE: 380600 67.8153 -115.935 175.116 -115.935 271.702 8.02744 175.116 8.02933 25.7884 GPRESSURE: 380600 131.851 -85.5078 160.076 -103.305 290.775 -41.4939 130.552 -38.4173 15.6159 PRESSAVG: 380600 -2.60979 -0.652461 -32.1551 -0.652534 18.531 -22.6485 -32.1551 -22.6484 0.572171 GPRESSAVG: 380600 -2.00791 -3.64341 -31.0511 0.669744 18.4285 -22.8471 -32.5041 -25.0007 -0.0116456 TIMING: 380600 CPU: 1197.26, 0.00316753/step Wall: 1197.26, 0.00316753/step, 4.06447 hours remaining, 235.054688 MB of memory in use. ENERGY: 380600 3938.1457 20620.4257 14441.1654 259.0853 -203694.6190 2805.3028 0.0000 0.0000 52302.3945 -109328.0996 300.5826 -161630.4941 -108962.2011 299.0091 121.7685 146.0804 760197.5598 5.4978 5.4697 PRESSURE: 380800 224.598 -176.799 98.7223 -176.797 0.225503 19.3695 98.723 19.3704 269.766 GPRESSURE: 380800 267.769 -160.171 52.2496 -172.773 -27.4293 93.5912 54.9689 40.9718 339.631 PRESSAVG: 380800 14.2542 -7.77012 -17.7935 -7.77007 -21.0748 -3.1432 -17.7935 -3.14315 -13.6805 GPRESSAVG: 380800 14.1235 -7.18364 -19.5958 -9.21411 -20.94 -2.64814 -15.699 -1.94049 -13.6062 TIMING: 380800 CPU: 1197.89, 0.00317183/step Wall: 1197.89, 0.00317183/step, 4.06982 hours remaining, 235.054688 MB of memory in use. ENERGY: 380800 4045.1420 20703.2786 14520.8584 252.6256 -203778.9565 2721.5846 0.0000 0.0000 52064.4320 -109471.0353 299.2150 -161535.4674 -109123.6962 299.2260 164.8632 193.3234 759659.2844 -6.8337 -6.8076 PRESSURE: 381000 29.8782 -54.5246 -154.292 -54.5251 -27.9831 75.3322 -154.292 75.3319 -90.7285 GPRESSURE: 381000 84.1983 48.4913 -161.003 45.8672 -20.3186 20.8376 -208.138 -23.6902 -64.33 PRESSAVG: 381000 46.7545 39.5542 -19.2235 39.5542 -44.3447 -37.4536 -19.2235 -37.4535 -3.92517 GPRESSAVG: 381000 47.5357 40.2551 -19.1677 40.7954 -45.3587 -37.7659 -20.9336 -37.19 -3.53441 TIMING: 381000 CPU: 1198.53, 0.00320698/step Wall: 1198.53, 0.00320698/step, 4.11474 hours remaining, 235.054688 MB of memory in use. ENERGY: 381000 3970.0278 20728.0028 14477.5390 260.5718 -203584.1555 2725.5915 0.0000 0.0000 52024.3258 -109398.0967 298.9845 -161422.4225 -109041.3835 299.1403 -29.6112 -0.1501 759133.6665 -0.5051 -0.4525 PRESSURE: 381200 313.492 138.849 157.225 138.849 227.4 43.8458 157.227 43.8453 142.68 GPRESSURE: 381200 393.746 140.193 116.949 102.948 249.727 15.9961 237.43 -29.9513 112.553 PRESSAVG: 381200 67.5734 6.46388 -17.9348 6.46389 13.5546 -28.438 -17.9348 -28.438 9.951 GPRESSAVG: 381200 66.6757 7.43386 -16.3545 7.03264 13.8448 -27.9038 -16.5055 -29.2074 10.7018 TIMING: 381200 CPU: 1199.17, 0.00319395/step Wall: 1199.17, 0.00319395/step, 4.09783 hours remaining, 235.054688 MB of memory in use. ENERGY: 381200 4083.0330 20596.2616 14497.9682 230.0262 -203873.5470 2978.3404 0.0000 0.0000 51863.0584 -109624.8592 298.0577 -161487.9176 -109265.4103 299.1694 227.8572 252.0087 759235.1651 30.3596 30.4075 PRESSURE: 381400 13.7352 99.5004 -214.891 99.5003 214.199 226.958 -214.89 226.958 22.8439 GPRESSURE: 381400 127.526 76.5125 -106.965 48.1271 129.78 263.555 -220.418 215 76.858 PRESSAVG: 381400 34.15 12.0345 -29.9036 12.0345 -14.8041 20.7186 -29.9036 20.7186 -4.55039 GPRESSAVG: 381400 35.2349 10.1915 -28.5395 11.8855 -15.4018 19.5963 -31.6363 21.4592 -4.94667 TIMING: 381400 CPU: 1199.81, 0.0031773/step Wall: 1199.81, 0.0031773/step, 4.07629 hours remaining, 235.054688 MB of memory in use. ENERGY: 381400 4061.1922 20551.3487 14419.7949 249.1827 -203941.1479 2872.2917 0.0000 0.0000 52048.9310 -109738.4067 299.1259 -161787.3376 -109378.1475 298.9323 83.5929 111.3879 758481.5952 4.9318 4.9621 PRESSURE: 381600 -114.782 69.9786 -44.4233 69.9783 -229.513 78.8073 -44.4231 78.8057 -345.975 GPRESSURE: 381600 -130.359 97.9566 -48.4736 175.107 -174.398 89.7007 -17.9555 39.1131 -281.484 PRESSAVG: 381600 1.36734 -25.4431 37.1836 -25.4431 10.9596 43.3799 37.1836 43.38 19.14 GPRESSAVG: 381600 1.07688 -25.3154 35.8806 -24.7398 10.7501 43.0196 38.0861 41.065 19.3818 TIMING: 381600 CPU: 1200.44, 0.0031688/step Wall: 1200.44, 0.0031688/step, 4.06521 hours remaining, 235.054688 MB of memory in use. ENERGY: 381600 4036.0817 20605.5059 14551.2878 247.7308 -203559.1616 2539.9780 0.0000 0.0000 52013.0787 -109565.4987 298.9199 -161578.5774 -109213.3600 298.6088 -230.0901 -195.4134 760335.8016 10.4890 10.4029 PRESSURE: 381800 -138.546 24.0476 111.739 24.0479 -188.633 10.2957 111.738 10.2958 -355.252 GPRESSURE: 381800 -213.131 33.5437 64.2393 -16.8307 1.84956 33.4779 120.516 65.1276 -380.705 PRESSAVG: 381800 -1.49909 -14.2919 -19.2512 -14.292 -5.98527 4.79849 -19.2512 4.79852 2.91233 GPRESSAVG: 381800 -1.18394 -13.5595 -22.1897 -17.2888 -4.25799 4.47942 -20.1541 7.85614 0.970169 TIMING: 381800 CPU: 1201.08, 0.00317926/step Wall: 1201.08, 0.00317926/step, 4.07846 hours remaining, 235.054688 MB of memory in use. ENERGY: 381800 4020.9977 20646.0349 14514.1408 233.4279 -203788.6650 2634.2029 0.0000 0.0000 52067.1693 -109672.6916 299.2307 -161739.8608 -109305.8777 298.6322 -227.4770 -197.3288 760949.1067 -1.5240 -1.4906 PRESSURE: 382000 -86.7704 -95.8233 -32.9512 -95.8238 149.897 11.247 -32.9518 11.2465 233.016 GPRESSURE: 382000 -33.6024 -131.64 -13.9556 -36.0137 128.991 -13.6291 -26.319 117.03 276.955 PRESSAVG: 382000 38.6039 -37.1515 1.78817 -37.1514 15.485 8.22908 1.78807 8.22907 -10.7797 GPRESSAVG: 382000 38.5771 -37.5852 4.04794 -34.7771 14.1016 9.65971 1.7313 6.16266 -9.0395 TIMING: 382000 CPU: 1201.71, 0.00318591/step Wall: 1201.71, 0.00318591/step, 4.08681 hours remaining, 235.054688 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: 382000 3916.0239 20499.2435 14405.9438 246.7444 -203682.6217 2672.3719 0.0000 0.0000 52056.1029 -109886.1911 299.1671 -161942.2941 -109518.0329 298.1094 98.7144 124.1146 761513.4708 14.4364 14.5464 PRESSURE: 382200 174.829 -115.564 -54.9705 -115.564 85.7092 -246.164 -54.9703 -246.164 -184.483 GPRESSURE: 382200 193.828 -96.5913 -68.2928 70.0214 67.2652 -159.2 -54.9085 -239.416 -96.1187 PRESSAVG: 382200 74.6926 -22.3019 33.8802 -22.302 -32.5576 11.0708 33.8801 11.0707 22.545 GPRESSAVG: 382200 74.4091 -21.5973 35.0624 -21.5272 -31.3578 9.25273 34.3422 13.6256 21.7285 TIMING: 382200 CPU: 1202.35, 0.00318083/step Wall: 1202.35, 0.00318083/step, 4.08012 hours remaining, 235.054688 MB of memory in use. ENERGY: 382200 3892.6556 20597.2417 14449.8190 255.5821 -203862.5627 2853.2358 0.0000 0.0000 51929.6433 -109884.3852 298.4404 -161814.0285 -109511.0100 297.8870 25.3519 54.9914 760592.6797 21.5600 21.5933 PRESSURE: 382400 -514.865 233.755 54.1563 233.755 81.5324 394.49 54.1555 394.489 -52.1851 GPRESSURE: 382400 -338.11 222.902 33.6737 165.73 -1.24697 302.583 -18.8555 455.077 -68.2118 PRESSAVG: 382400 -4.0522 -0.817462 32.0432 -0.817427 -35.2672 14.9917 32.0431 14.9917 21.4438 GPRESSAVG: 382400 -3.95718 -2.18708 31.1955 -2.47768 -35.7572 15.9627 32.1112 13.5137 21.8151 TIMING: 382400 CPU: 1202.99, 0.00320758/step Wall: 1202.99, 0.00320758/step, 4.11426 hours remaining, 235.054688 MB of memory in use. ENERGY: 382400 3945.2774 20486.0511 14412.8142 231.1882 -203411.0191 2640.2061 0.0000 0.0000 51886.9479 -109808.5342 298.1950 -161695.4821 -109440.4879 298.2985 -161.8394 -135.8563 762144.3041 -5.9585 -5.9664 PRESSURE: 382600 -178.451 -158.858 -163.241 -158.858 277.877 131.743 -163.24 131.742 357.179 GPRESSURE: 382600 -110.978 -248.715 -53.0421 -190.52 304.116 155.374 -286.738 74.7357 340.589 PRESSAVG: 382600 -23.7637 -41.3056 -65.3756 -41.3056 4.934 61.2549 -65.3756 61.2549 -20.8948 GPRESSAVG: 382600 -22.8293 -40.8475 -65.2306 -40.6915 4.29636 61.3411 -65.5579 59.907 -21.1854 TIMING: 382600 CPU: 1203.63, 0.00318171/step Wall: 1203.63, 0.00318171/step, 4.08089 hours remaining, 235.054688 MB of memory in use. ENERGY: 382600 4019.9068 20515.3913 14452.2020 209.2194 -203448.5046 2688.4274 0.0000 0.0000 51906.0941 -109657.2637 298.3050 -161563.3577 -109295.6103 298.2736 152.2015 177.9092 761490.5216 -13.2415 -13.2394 PRESSURE: 382800 -100.855 -196.872 47.078 -196.872 207.416 -89.5292 47.0773 -89.53 100.243 GPRESSURE: 382800 -59.7226 -118.168 22.4393 -220.247 194.055 -146.069 80.1806 -156.475 160.601 PRESSAVG: 382800 -19.8239 -21.7127 -61.674 -21.7126 31.3605 40.2104 -61.6741 40.2103 -9.22005 GPRESSAVG: 382800 -20.8707 -19.977 -62.135 -23.6171 33.7834 41.7168 -60.6507 43.47 -10.1207 TIMING: 382800 CPU: 1204.26, 0.0031609/step Wall: 1204.26, 0.0031609/step, 4.05403 hours remaining, 235.054688 MB of memory in use. ENERGY: 382800 4021.8950 20403.2401 14525.1925 246.4417 -203348.6713 2666.5156 0.0000 0.0000 52059.6577 -109425.7286 299.1876 -161485.3863 -109061.1118 298.4611 68.9345 98.3111 761785.0908 0.7722 0.9307 PRESSURE: 383000 141.026 65.5458 -195.464 65.5456 -0.398891 25.0925 -195.464 25.0919 329.867 GPRESSURE: 383000 122.64 -60.6435 -194.631 80.0735 81.3358 28.6624 -104.363 -100.549 371.938 PRESSAVG: 383000 -39.3234 -4.21309 -44.3006 -4.21307 35.5912 13.2852 -44.3006 13.2852 16.1086 GPRESSAVG: 383000 -39.8765 -5.37353 -45.1211 -1.9423 33.2813 12.09 -43.8866 11.2963 18.4039 TIMING: 383000 CPU: 1204.89, 0.00314424/step Wall: 1204.89, 0.00314424/step, 4.03249 hours remaining, 235.054688 MB of memory in use. ENERGY: 383000 3928.9204 20532.8558 14496.6173 233.2990 -203325.8100 2720.6560 0.0000 0.0000 52000.4090 -109413.0524 298.8471 -161413.4614 -109056.6215 298.7992 156.8313 191.9713 761118.3307 4.1255 3.9362 PRESSURE: 383200 139.014 61.5987 111.721 61.5984 192.16 -101.764 111.721 -101.763 111.633 GPRESSURE: 383200 255.04 88.4934 72.3763 6.80914 197.527 -71.6475 93.1843 -11.5195 89.3882 PRESSAVG: 383200 -25.1828 -6.61429 -15.1704 -6.61428 -1.86398 7.71888 -15.1705 7.71889 23.2763 GPRESSAVG: 383200 -24.5225 -5.00846 -16.4767 -9.1807 -0.864523 7.13482 -15.6386 8.18605 21.5254 TIMING: 383200 CPU: 1205.52, 0.00315917/step Wall: 1205.52, 0.00315917/step, 4.05147 hours remaining, 235.054688 MB of memory in use. ENERGY: 383200 3955.8292 20544.9616 14474.0515 236.9988 -203456.2175 2698.1444 0.0000 0.0000 52181.5411 -109364.6909 299.8880 -161546.2320 -109006.9378 299.4260 147.6024 180.6516 762500.9918 -1.2568 -1.2872 PRESSURE: 383400 241.613 -4.41023 67.6352 -4.41015 180.891 -24.1252 67.6353 -24.1243 -70.3282 GPRESSURE: 383400 357.716 109.04 124.879 -145.45 129.167 -6.68757 79.1127 2.53949 -36.6879 PRESSAVG: 383400 -3.35293 -3.35752 -4.78075 -3.35751 -13.0175 19.5509 -4.7808 19.5509 5.99325 GPRESSAVG: 383400 -2.14192 -2.40357 -3.13943 -3.59104 -12.8276 20.269 -3.33771 19.7483 5.13574 TIMING: 383400 CPU: 1206.15, 0.00316631/step Wall: 1206.15, 0.00316631/step, 4.06044 hours remaining, 235.054688 MB of memory in use. ENERGY: 383400 3988.4714 20433.8939 14505.1730 235.8096 -203707.4292 3018.3648 0.0000 0.0000 52002.7171 -109522.9994 298.8603 -161525.7165 -109164.8930 298.9523 117.3919 150.0648 760023.6623 -3.4591 -3.2779 PRESSURE: 383600 -80.4262 77.3297 -204.842 77.3296 306.331 -126.024 -204.843 -126.024 172.796 GPRESSURE: 383600 -60.4684 86.9027 -154.232 61.6873 323.802 -93.8013 -107.77 -188.044 220.807 PRESSAVG: 383600 22.145 25.212 26.8587 25.212 11.2815 -23.8382 26.8587 -23.8382 10.9544 GPRESSAVG: 383600 20.1196 23.7756 28.0183 26.4358 11.1956 -24.2544 25.3959 -23.2202 12.9622 TIMING: 383600 CPU: 1206.79, 0.00315784/step Wall: 1206.79, 0.00315784/step, 4.0494 hours remaining, 235.054688 MB of memory in use. ENERGY: 383600 3936.5915 20417.4356 14428.8711 260.2030 -203733.5243 2912.0149 0.0000 0.0000 52237.1350 -109541.2732 300.2075 -161778.4082 -109174.6022 299.2022 132.9004 161.3802 761452.0917 14.7936 14.7591 PRESSURE: 383800 54.2819 -279.838 -68.7613 -279.838 -17.1627 -23.834 -68.7614 -23.8348 -85.972 GPRESSURE: 383800 32.2965 -326.883 -41.2436 -194.488 -0.4502 -40.8711 -30.6936 -34.4627 11.4154 PRESSAVG: 383800 3.93559 -68.2127 16.2706 -68.2127 -31.879 -15.3592 16.2706 -15.3592 7.07828 GPRESSAVG: 383800 4.60213 -70.6968 16.2743 -66.5129 -31.5147 -16.5392 15.9596 -14.2142 5.99897 TIMING: 383800 CPU: 1207.42, 0.00316536/step Wall: 1207.42, 0.00316536/step, 4.05887 hours remaining, 235.054688 MB of memory in use. ENERGY: 383800 4001.8813 20559.7817 14508.4277 247.1843 -203691.3060 2680.8599 0.0000 0.0000 52289.7037 -109403.4675 300.5096 -161693.1711 -109042.8748 299.1297 -16.2843 14.4206 762494.6429 -6.9550 -6.9712 PRESSURE: 384000 333.873 181.626 -33.5905 181.627 -152.409 -64.9901 -33.5904 -64.9895 -127.2 GPRESSURE: 384000 282.965 215.944 30.2032 263.559 -118.622 -36.6985 -101.155 -113.194 -14.1124 PRESSAVG: 384000 13.6132 -28.6768 -1.52434 -28.6769 -16.6115 -5.64194 -1.52435 -5.64185 22.8795 GPRESSAVG: 384000 13.318 -26.1952 -1.31552 -29.2257 -17.2022 -4.94003 -2.39156 -7.79442 23.5778 TIMING: 384000 CPU: 1208.05, 0.0031646/step Wall: 1208.05, 0.0031646/step, 4.05772 hours remaining, 235.054688 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: 384000 4027.3430 20502.4521 14420.6966 264.5492 -202911.5125 2227.1446 0.0000 0.0000 52096.4621 -109372.8648 299.3991 -161469.3269 -109017.7950 299.5229 18.0879 50.0769 761345.2588 6.6271 6.5645 PRESSURE: 384200 -270.299 -25.4952 -41.7323 -25.4951 194.952 10.8689 -41.7322 10.871 189.37 GPRESSURE: 384200 -144.006 -53.3215 42.4582 114.988 151.309 -35.8696 67.5281 -117.006 190.351 PRESSAVG: 384200 32.5959 69.1235 -17.859 69.1234 -51.4591 -23.4755 -17.859 -23.4756 -4.70843 GPRESSAVG: 384200 33.8207 66.8248 -19.3743 69.5423 -51.8969 -24.353 -16.5295 -23.0944 -5.50031 TIMING: 384200 CPU: 1208.68, 0.00315834/step Wall: 1208.68, 0.00315834/step, 4.04952 hours remaining, 235.054688 MB of memory in use. ENERGY: 384200 4004.2957 20604.6532 14532.3534 251.1941 -203056.5612 2617.4286 0.0000 0.0000 51849.1456 -109197.4907 297.9778 -161046.6363 -108835.6126 299.7989 38.0076 65.8846 761278.6198 -7.8572 -7.8588 LDB: ============= START OF LOAD BALANCING ============== 1221.13 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1221.13 LDB: =============== DONE WITH MIGRATION ================ 1221.13 LDB: ============= START OF LOAD BALANCING ============== 1221.45 LDB: Largest compute 7026 load 0.035757 is 18.3% of average load 0.194906 LDB: Average compute 0.004383 is 2.2% of average load 0.194906 LDB: TIME 1221.45 LOAD: AVG 0.194906 MAX 0.213623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.508 MB LDB: TIME 1221.45 LOAD: AVG 0.194906 MAX 0.213623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: TIME 1221.45 LOAD: AVG 0.194906 MAX 0.213623 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: ============== END OF LOAD BALANCING =============== 1221.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1221.46 PRESSURE: 384400 57.3382 42.8764 237.528 42.8766 -211.978 4.75672 237.526 4.7557 -194.801 GPRESSURE: 384400 21.3707 157.345 252.709 50.7773 -146.532 -57.456 234.002 -90.7598 -129.882 PRESSAVG: 384400 36.2022 -64.4789 30.8489 -64.479 -32.5562 61.1459 30.8488 61.1459 0.715424 GPRESSAVG: 384400 34.8983 -62.5435 30.2094 -64.253 -31.8793 61.4441 31.9425 60.2798 1.81303 TIMING: 384400 CPU: 1209.32, 0.00319402/step Wall: 1209.32, 0.00319402/step, 4.09508 hours remaining, 235.054688 MB of memory in use. ENERGY: 384400 4034.6379 20621.9291 14480.0425 276.1796 -203354.9637 2637.1834 0.0000 0.0000 52014.2669 -109290.7243 298.9267 -161304.9912 -108927.1019 299.3923 -116.4803 -85.0143 762310.6002 1.4538 1.6107 PRESSURE: 384600 36.3137 -4.36523 43.826 -4.36624 -211.735 131.923 43.8261 131.922 530.695 GPRESSURE: 384600 60.272 81.1922 52.4209 -83.1662 -68.0066 78.234 106.982 240.753 448.66 PRESSAVG: 384600 43.3482 -23.0708 33.1824 -23.0708 -51.495 1.28846 33.1824 1.28855 0.746132 GPRESSAVG: 384600 43.2452 -23.0875 33.884 -25.3185 -52.2186 -0.155798 32.6477 2.51145 1.42367 TIMING: 384600 CPU: 1209.95, 0.00315514/step Wall: 1209.95, 0.00315514/step, 4.04507 hours remaining, 235.054688 MB of memory in use. ENERGY: 384600 3912.3686 20608.1433 14479.6359 233.1183 -203620.1021 2790.3373 0.0000 0.0000 51972.2310 -109624.2677 298.6851 -161596.4987 -109272.4006 298.9776 118.4245 146.9753 760714.7979 -2.4669 -2.5166 PRESSURE: 384800 -128.89 224.927 -22.5786 224.928 -136.407 47.3073 -22.5796 47.3064 -11.3604 GPRESSURE: 384800 -126.185 140.971 -92.9487 103.615 -37.5088 37.6399 -4.11725 116.822 -41.2322 PRESSAVG: 384800 12.7544 -5.41544 -15.4942 -5.41544 -27.563 -6.93958 -15.4941 -6.93956 2.02793 GPRESSAVG: 384800 12.6175 -5.33254 -14.8859 -6.35207 -26.3867 -5.6247 -15.0753 -7.30987 0.959635 TIMING: 384800 CPU: 1210.59, 0.00317134/step Wall: 1210.59, 0.00317134/step, 4.06566 hours remaining, 235.054688 MB of memory in use. ENERGY: 384800 3995.7009 20375.7980 14503.4556 256.9472 -203071.7187 2469.4576 0.0000 0.0000 51828.0163 -109642.3432 297.8563 -161470.3594 -109286.6806 299.0396 -92.2190 -68.3087 761704.5823 -4.2602 -4.2699 PRESSURE: 385000 -203.901 -100.854 7.28272 -100.855 154.222 57.4753 7.28164 57.4748 84.5428 GPRESSURE: 385000 -126.245 -114.477 -36.8472 -114.231 167.396 -3.54922 51.5653 52.0534 78.2789 PRESSAVG: 385000 41.9051 -18.2016 4.46687 -18.2016 -63.2446 32.0038 4.46681 32.0038 6.25038 GPRESSAVG: 385000 42.0736 -17.9832 3.63388 -16.7235 -65.0108 32.2692 2.24585 33.4235 7.93593 TIMING: 385000 CPU: 1211.22, 0.00313992/step Wall: 1211.22, 0.00313992/step, 4.0252 hours remaining, 235.054688 MB of memory in use. ENERGY: 385000 3974.7529 20489.2741 14370.4328 260.3866 -202970.3916 2280.9050 0.0000 0.0000 51966.8444 -109627.7958 298.6542 -161594.6402 -109260.4478 298.9462 11.6214 39.8097 761806.4635 -5.0297 -5.0004 PRESSURE: 385200 -164.019 -107.358 181.341 -107.358 50.8177 125.176 181.341 125.177 -184.054 GPRESSURE: 385200 -150.682 -44.2797 108.899 -94.8878 123.376 217.394 105.91 115.684 -189.148 PRESSAVG: 385200 84.8082 -73.3825 69.885 -73.3825 -25.1023 1.71081 69.885 1.7109 6.68895 GPRESSAVG: 385200 84.4091 -73.4949 70.5893 -73.0817 -25.2641 1.42728 69.1086 0.500728 6.91456 TIMING: 385200 CPU: 1211.84, 0.00314438/step Wall: 1211.84, 0.00314439/step, 4.03075 hours remaining, 235.054688 MB of memory in use. ENERGY: 385200 3999.6680 20769.1996 14395.8612 250.8056 -203462.7724 2617.6404 0.0000 0.0000 51847.1927 -109582.4049 297.9665 -161429.5976 -109229.5752 299.0171 -99.0850 -72.1512 761994.8361 22.1316 22.0198 PRESSURE: 385400 -61.9832 -33.8048 34.6042 -33.8046 108.055 -125.156 34.6043 -125.156 -48.514 GPRESSURE: 385400 19.0406 -104.206 -30.1707 -117.837 145.305 -120.491 160.209 -229.916 -78.8993 PRESSAVG: 385400 17.2911 -40.7859 1.25334 -40.7859 -41.9113 -37.5675 1.2534 -37.5674 -5.5379 GPRESSAVG: 385400 17.9778 -37.8429 1.16888 -41.9668 -41.5809 -37.8023 2.04888 -38.6925 -6.14112 TIMING: 385400 CPU: 1212.47, 0.00315184/step Wall: 1212.47, 0.00315184/step, 4.04013 hours remaining, 235.054688 MB of memory in use. ENERGY: 385400 3957.5808 20412.8965 14439.6300 257.8612 -203333.9717 2574.7852 0.0000 0.0000 52065.2012 -109626.0167 299.2194 -161691.2180 -109259.1746 298.4081 -0.8142 28.4822 762698.0745 -10.0527 -9.9147 PRESSURE: 385600 -256.27 55.8086 -227.363 55.8077 128.428 203.188 -227.363 203.187 -21.1608 GPRESSURE: 385600 -245.97 91.6206 -207.802 135.477 234.59 221.675 -264.795 228.131 -60.0252 PRESSAVG: 385600 35.5667 -40.3548 -5.30833 -40.3547 -33.1283 23.1833 -5.30837 23.1833 -5.5297 GPRESSAVG: 385600 35.168 -43.273 -4.95163 -39.5786 -32.2938 23.6239 -3.97582 25.167 -5.9546 TIMING: 385600 CPU: 1213.11, 0.00315839/step Wall: 1213.11, 0.00315839/step, 4.04835 hours remaining, 235.054688 MB of memory in use. ENERGY: 385600 4034.9233 20386.6706 14414.3255 255.6308 -203149.3778 2573.8285 0.0000 0.0000 51896.4329 -109587.5662 298.2495 -161483.9991 -109224.2715 299.0073 -49.6677 -23.8017 762606.2637 -1.0304 -1.0268 PRESSURE: 385800 -62.5533 89.1241 168.673 89.124 -254.798 -47.9955 168.673 -47.9959 -262.2 GPRESSURE: 385800 -109.324 102.658 216.684 70.1859 -181.146 -111.157 53.4402 59.9978 -201.051 PRESSAVG: 385800 50.3949 -18.9763 15.9309 -18.9763 40.8314 15.1052 15.931 15.1052 27.9112 GPRESSAVG: 385800 50.5946 -17.9267 14.8404 -20.6989 40.5647 15.1839 13.4797 14.3421 27.606 TIMING: 385800 CPU: 1213.74, 0.00318046/step Wall: 1213.74, 0.00318047/step, 4.07647 hours remaining, 235.054688 MB of memory in use. ENERGY: 385800 3971.6219 20403.5586 14424.0409 251.1873 -202933.6389 2418.4470 0.0000 0.0000 51968.5778 -109496.2053 298.6641 -161464.7831 -109131.1624 298.8991 -193.1839 -163.8401 763804.2389 39.7125 39.5885 PRESSURE: 386000 -193.944 -14.4365 85.533 -14.436 277.447 -134.899 85.5334 -134.899 146.419 GPRESSURE: 386000 -135.344 -94.7896 113.258 77.1281 330.564 -45.131 75.1794 -104.331 119.876 PRESSAVG: 386000 39.7862 13.743 -3.63241 13.743 -58.5732 -2.75798 -3.63241 -2.75806 -12.1175 GPRESSAVG: 386000 40.8911 11.2329 -4.55036 15.4237 -59.7492 -1.38318 -1.11897 -3.05707 -11.4746 TIMING: 386000 CPU: 1214.37, 0.00315462/step Wall: 1214.37, 0.00315462/step, 4.04317 hours remaining, 235.054688 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: 386000 3939.6804 20431.9411 14414.2384 255.1611 -202836.9573 2128.0302 0.0000 0.0000 52009.7857 -109658.1204 298.9010 -161667.9061 -109285.8818 298.6540 76.6408 105.0317 761995.5868 -10.3015 -10.1109 PRESSURE: 386200 -5.7737 39.7653 -156.396 39.7659 34.937 -101.992 -156.397 -101.993 -9.90658 GPRESSURE: 386200 97.4306 146.425 -265.703 32.0071 34.4898 58.0309 -35.8809 -122.97 -13.4223 PRESSAVG: 386200 2.34817 3.86325 -37.2392 3.86325 5.33228 -6.57492 -37.2393 -6.57486 -8.66256 GPRESSAVG: 386200 1.82913 5.32958 -33.6859 6.30657 7.07063 -8.03595 -37.6467 -6.10381 -9.01872 TIMING: 386200 CPU: 1215.01, 0.00316521/step Wall: 1215.01, 0.00316521/step, 4.05657 hours remaining, 235.054688 MB of memory in use. ENERGY: 386200 3972.7196 20574.0139 14468.9591 248.3904 -203449.7288 2595.3824 0.0000 0.0000 51862.2731 -109727.9903 298.0532 -161590.2633 -109363.6401 298.7563 6.4189 39.4994 761401.1609 -0.3274 -0.0397 PRESSURE: 386400 58.8474 15.133 257.308 15.1327 -15.8976 -62.3989 257.308 -62.3966 174.054 GPRESSURE: 386400 74.6123 157.451 182.66 -28.3325 72.5189 -44.553 191.357 -19.9676 154.086 PRESSAVG: 386400 -50.4974 -8.60652 48.2522 -8.60645 32.1004 -47.9206 48.2522 -47.9207 42.8463 GPRESSAVG: 386400 -50.6222 -8.64487 46.2107 -11.4615 32.2395 -47.1991 48.5364 -48.7263 43.1243 TIMING: 386400 CPU: 1215.64, 0.00316556/step Wall: 1215.64, 0.00316556/step, 4.05684 hours remaining, 235.054688 MB of memory in use. ENERGY: 386400 3942.7434 20509.0661 14420.0651 257.5463 -203163.4972 2503.6063 0.0000 0.0000 51810.2353 -109720.2346 297.7541 -161530.4699 -109372.9165 297.9629 72.3348 100.4056 761062.6847 8.1498 8.2472 PRESSURE: 386600 45.7766 131.653 404.346 131.653 34.2304 -245.52 404.346 -245.52 -190.644 GPRESSURE: 386600 124.124 159.691 394.08 169.829 62.7436 -275.718 391.085 -154.878 -212.384 PRESSAVG: 386600 -34.0635 -24.6051 36.6641 -24.6051 31.8385 -73.9134 36.6641 -73.9136 -11.0878 GPRESSAVG: 386600 -33.9067 -24.3127 35.4004 -24.2139 30.2831 -74.6529 37.0339 -72.9459 -9.94397 TIMING: 386600 CPU: 1216.27, 0.00315707/step Wall: 1216.27, 0.00315707/step, 4.04578 hours remaining, 235.054688 MB of memory in use. ENERGY: 386600 3960.1558 20414.0888 14458.9304 246.7015 -203396.4968 2494.8551 0.0000 0.0000 52036.3531 -109785.4120 299.0536 -161821.7652 -109420.8016 298.6088 -36.8791 -8.5056 760536.4547 -4.4376 -4.5225 PRESSURE: 386800 94.7767 -183.967 18.068 -183.967 -324.276 19.1457 18.0686 19.1465 -72.9364 GPRESSURE: 386800 9.30336 -203.193 89.8636 -123.466 -192.041 15.3297 -116.008 -22.3212 -52.5049 PRESSAVG: 386800 7.58994 26.5929 -4.83885 26.593 20.6857 -11.3315 -4.83888 -11.3315 -5.65016 GPRESSAVG: 386800 7.51745 25.6751 -1.86715 25.9779 22.1278 -9.95958 -5.75864 -13.2309 -6.91514 TIMING: 386800 CPU: 1216.9, 0.00314337/step Wall: 1216.9, 0.00314337/step, 4.02805 hours remaining, 235.054688 MB of memory in use. ENERGY: 386800 4036.4299 20502.6712 14414.4983 277.5771 -203556.1912 2753.9823 0.0000 0.0000 52008.3222 -109562.7101 298.8925 -161571.0323 -109203.7119 298.8215 -100.8119 -78.4142 762648.2343 7.5418 7.5767 PRESSURE: 387000 79.1033 -19.5584 -151.42 -19.5587 -113.187 304.715 -151.42 304.715 -35.9586 GPRESSURE: 387000 18.9199 35.771 -159.938 -35.4904 -12.7225 222.167 -93.6414 286.994 -6.61121 PRESSAVG: 387000 8.3761 3.90843 -34.1429 3.90837 -35.9389 -55.9887 -34.1429 -55.9886 4.20917 GPRESSAVG: 387000 8.83211 2.97303 -35.657 3.23065 -35.8044 -57.2426 -35.3343 -52.8637 2.891 TIMING: 387000 CPU: 1217.53, 0.00315281/step Wall: 1217.53, 0.00315281/step, 4.03997 hours remaining, 235.054688 MB of memory in use. ENERGY: 387000 4081.1274 20490.4556 14458.2866 259.4305 -203352.1926 2532.0609 0.0000 0.0000 52004.8605 -109525.9711 298.8726 -161530.8315 -109165.2632 298.8892 -23.3475 -0.1379 760207.4056 -7.7845 -8.0271 PRESSURE: 387200 -94.5936 67.7973 77.0732 67.7971 159.675 156.246 77.0737 156.247 255.222 GPRESSURE: 387200 -27.5034 104.299 109.013 189.731 159.817 38.5858 96.8926 193.144 272.683 PRESSAVG: 387200 -2.21308 2.41083 -25.006 2.41087 48.9552 0.779247 -25.0059 0.779189 33.2325 GPRESSAVG: 387200 -2.96732 3.02922 -25.57 5.68414 48.2601 2.51565 -23.3833 -2.27146 35.0636 TIMING: 387200 CPU: 1218.16, 0.00316725/step Wall: 1218.16, 0.00316725/step, 4.05831 hours remaining, 235.054688 MB of memory in use. ENERGY: 387200 4014.9635 20614.5242 14417.4528 257.3099 -203283.8508 2541.6273 0.0000 0.0000 52032.0553 -109405.9178 299.0289 -161437.9731 -109057.7876 299.1860 106.7678 134.9990 759675.8424 26.6582 26.7855 PRESSURE: 387400 71.9859 -26.7511 44.6879 -26.7504 -264.884 -182.286 44.6882 -182.286 -48.2602 GPRESSURE: 387400 112.521 -90.5312 103.836 -72.7279 -191.248 -58.888 -8.37893 -299.283 -88.1252 PRESSAVG: 387400 25.259 -43.946 19.8278 -43.946 -19.1246 -68.7133 19.8278 -68.7133 -12.1638 GPRESSAVG: 387400 26.7009 -42.1337 20.2087 -46.5182 -19.4301 -71.0156 18.6477 -67.136 -13.6604 TIMING: 387400 CPU: 1218.79, 0.00314017/step Wall: 1218.79, 0.00314017/step, 4.02342 hours remaining, 235.054688 MB of memory in use. ENERGY: 387400 4011.5203 20492.2745 14492.2592 241.3111 -203148.5517 2361.8438 0.0000 0.0000 52187.1069 -109362.2360 299.9200 -161549.3428 -109003.3741 299.2770 -80.3860 -55.6175 760755.1023 -2.0098 -2.1299 PRESSURE: 387600 -154.406 60.2326 -53.3955 60.2336 182.726 162.421 -53.3966 162.421 -243.328 GPRESSURE: 387600 -260.764 35.7527 -89.5511 43.0657 296.245 127.971 -2.02504 167.975 -177.071 PRESSAVG: 387600 14.156 -10.2376 -32.2099 -10.2376 14.2621 -21.6628 -32.2099 -21.6627 -5.8494 GPRESSAVG: 387600 14.0159 -13.6178 -32.0302 -9.1075 15.2812 -21.8129 -30.0915 -19.7075 -6.74163 TIMING: 387600 CPU: 1219.42, 0.00315089/step Wall: 1219.42, 0.00315089/step, 4.03699 hours remaining, 235.054688 MB of memory in use. ENERGY: 387600 3892.3687 20472.6070 14461.9891 254.0977 -202897.0925 2272.4076 0.0000 0.0000 52066.3928 -109477.2295 299.2263 -161543.6223 -109114.6817 298.8176 -71.6691 -47.1964 762821.1060 7.5229 7.5185 PRESSURE: 387800 190.413 60.8003 -109.877 60.7996 59.5437 -32.0847 -109.878 -32.0842 -140.757 GPRESSURE: 387800 188.182 104.746 -134.837 43.2864 68.3139 -12.3629 -59.3992 -11.4396 -72.6446 PRESSAVG: 387800 -6.61931 -77.2432 -42.0898 -77.2432 -4.13028 -83.4842 -42.0898 -83.4843 -7.06446 GPRESSAVG: 387800 -7.65346 -75.3014 -41.4236 -78.3611 -3.71511 -83.441 -43.3583 -85.5712 -6.40385 TIMING: 387800 CPU: 1220.05, 0.00316293/step Wall: 1220.05, 0.00316293/step, 4.05224 hours remaining, 235.054688 MB of memory in use. ENERGY: 387800 3978.4347 20300.6842 14413.4479 223.9785 -203186.3505 2445.4265 0.0000 0.0000 52084.8574 -109739.5214 299.3324 -161824.3787 -109367.7054 298.6021 36.3999 61.2839 760704.1417 -5.9380 -5.9241 PRESSURE: 388000 -109.937 -79.1475 -87.7234 -79.1468 -284.523 44.9504 -87.7238 44.95 -333.153 GPRESSURE: 388000 14.2364 -95.574 -47.1124 -22.5689 -285.747 53.7709 -124.758 93.3637 -375.904 PRESSAVG: 388000 -7.21916 -19.2453 -1.47785 -19.2453 24.8869 67.9659 -1.4778 67.9658 -6.8816 GPRESSAVG: 388000 -7.58148 -20.5015 -2.13459 -16.7504 23.6783 70.1588 -3.47819 67.6604 -5.57776 TIMING: 388000 CPU: 1220.69, 0.00316136/step Wall: 1220.69, 0.00316137/step, 4.05006 hours remaining, 235.054688 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: 388000 3989.7288 20336.0418 14499.7621 250.4752 -203242.8501 2606.5837 0.0000 0.0000 51869.7836 -109690.4749 298.0964 -161560.2585 -109325.0687 298.8209 -242.5380 -215.8048 761634.3738 3.5954 3.5064 PRESSURE: 388200 214.04 -137.263 317.781 -137.263 456.274 -111.001 317.781 -111 -118.454 GPRESSURE: 388200 308.554 -127.41 331.84 -172.822 443.986 -47.8166 251.945 -98.3488 -116.447 PRESSAVG: 388200 14.5873 -5.95917 -1.31878 -5.95916 34.6696 39.8605 -1.31883 39.8604 23.381 GPRESSAVG: 388200 15.5791 -5.20825 -2.35771 -7.45354 34.0176 39.1338 1.17179 36.6512 22.6451 TIMING: 388200 CPU: 1221.32, 0.00315527/step Wall: 1221.32, 0.00315527/step, 4.04207 hours remaining, 235.054688 MB of memory in use. ENERGY: 388200 3971.6930 20508.7832 14433.9622 238.2655 -203127.2108 2610.0269 0.0000 0.0000 51913.5354 -109450.9446 298.3478 -161364.4799 -109085.0224 298.7215 183.9536 212.0311 760821.2136 24.2126 24.0806 LDB: ============= START OF LOAD BALANCING ============== 1233.77 LDB: ============== END OF LOAD BALANCING =============== 1233.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1233.77 LDB: ============= START OF LOAD BALANCING ============== 1234.08 LDB: Largest compute 7058 load 0.034558 is 17.7% of average load 0.194887 LDB: Average compute 0.004404 is 2.3% of average load 0.194887 LDB: TIME 1234.09 LOAD: AVG 0.194887 MAX 0.215175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.418 MB LDB: TIME 1234.09 LOAD: AVG 0.194887 MAX 0.215175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.418 MB LDB: TIME 1234.09 LOAD: AVG 0.194887 MAX 0.215175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.418 MB LDB: ============== END OF LOAD BALANCING =============== 1234.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1234.09 PRESSURE: 388400 -153.786 -192.136 2.17114 -192.136 -112.959 -177.799 2.17113 -177.8 -126.288 GPRESSURE: 388400 -86.5529 -75.5842 -23.5653 -8.96592 -76.8226 -71.0195 12.6736 -117.163 -158.844 PRESSAVG: 388400 -12.2838 -42.344 -11.5544 -42.344 31.8899 -19.8473 -11.5544 -19.8473 -4.72623 GPRESSAVG: 388400 -13.5 -42.3936 -9.58229 -41.1017 32.1704 -19.9632 -12.8752 -15.671 -3.93463 TIMING: 388400 CPU: 1221.96, 0.00320762/step Wall: 1221.96, 0.00320762/step, 4.10896 hours remaining, 235.957031 MB of memory in use. ENERGY: 388400 3875.5520 20462.2574 14425.1268 239.2317 -203047.1103 2629.4377 0.0000 0.0000 51922.9652 -109492.5395 298.4020 -161415.5047 -109140.9293 298.7336 -131.0108 -107.4066 763873.3828 4.9600 4.9119 PRESSURE: 388600 -11.4261 50.508 184.627 50.5077 -32.8113 176.753 184.626 176.752 47.4601 GPRESSURE: 388600 68.3191 81.4783 223.857 73.4902 55.023 211 175.788 182.562 -23.6044 PRESSAVG: 388600 33.8193 -15.9206 18.1821 -15.9206 -58.611 35.3629 18.1821 35.3628 -15.2512 GPRESSAVG: 388600 33.644 -16.6976 16.6095 -18.0946 -57.6539 35.9701 17.9814 34.8635 -16.3211 TIMING: 388600 CPU: 1222.59, 0.00314789/step Wall: 1222.59, 0.00314789/step, 4.03228 hours remaining, 236.027344 MB of memory in use. ENERGY: 388600 4056.6057 20407.6084 14428.5441 262.1461 -203610.0549 3052.2478 0.0000 0.0000 51763.0729 -109639.8298 297.4831 -161402.9027 -109287.1739 298.6712 1.0742 33.2459 763343.9906 -13.3476 -13.4437 PRESSURE: 388800 -126.853 -326.853 -209.371 -326.852 136.728 -104.314 -209.371 -104.314 102.492 GPRESSURE: 388800 -40.0022 -263.757 -244.508 -252.303 153.653 -136.508 -260.729 -181.658 69.8576 PRESSAVG: 388800 37.3733 12.2387 -5.09481 12.2387 -25.0334 17.1623 -5.0949 17.1623 8.25802 GPRESSAVG: 388800 38.9575 12.8265 -3.22178 13.3471 -27.1199 16.8266 -5.17705 15.4537 8.66506 TIMING: 388800 CPU: 1223.22, 0.00314448/step Wall: 1223.22, 0.00314448/step, 4.02773 hours remaining, 236.027344 MB of memory in use. ENERGY: 388800 3956.8184 20403.8407 14374.1094 255.6205 -203075.7073 2668.9432 0.0000 0.0000 51866.0476 -109550.3275 298.0749 -161416.3751 -109192.9534 298.3991 37.4556 61.1695 763004.0114 6.8660 6.8342 PRESSURE: 389000 -181.336 158.52 -33.514 158.52 286.641 136.629 -33.5138 136.629 49.1792 GPRESSURE: 389000 -162.834 130.727 15.5356 118.01 391.19 30.3074 -145.891 68.0072 18.6681 PRESSAVG: 389000 -35.8871 -18.4682 3.57762 -18.4682 46.5448 -27.3086 3.57759 -27.3087 -19.8716 GPRESSAVG: 389000 -37.4676 -17.7784 2.83366 -18.0495 47.9647 -28.4623 4.41159 -28.0936 -19.9647 TIMING: 389000 CPU: 1223.85, 0.00314972/step Wall: 1223.85, 0.00314972/step, 4.03427 hours remaining, 236.027344 MB of memory in use. ENERGY: 389000 4034.0899 20529.9491 14462.0284 253.3532 -203102.3435 2533.7345 0.0000 0.0000 51671.6807 -109617.5077 296.9579 -161289.1884 -109261.1824 298.3192 51.4947 82.3411 764511.9431 -3.0713 -3.1558 PRESSURE: 389200 -9.84479 -253.119 319.629 -253.119 -58.6353 312.091 319.628 312.093 -191.741 GPRESSURE: 389200 -35.7157 -178.564 215.252 -312.834 -23.6867 373.936 309.788 199.878 -128.858 PRESSAVG: 389200 -5.44441 -21.4262 25.3596 -21.4262 14.2381 -1.37416 25.3595 -1.37409 -6.09717 GPRESSAVG: 389200 -5.08257 -21.3945 24.7856 -21.6785 14.3375 0.765348 25.7471 -3.42241 -6.21742 TIMING: 389200 CPU: 1224.48, 0.00315188/step Wall: 1224.48, 0.00315188/step, 4.03686 hours remaining, 236.027344 MB of memory in use. ENERGY: 389200 4014.4855 20442.3808 14427.7510 246.5912 -203451.0653 2696.8579 0.0000 0.0000 51984.5942 -109638.4047 298.7562 -161622.9990 -109274.2686 298.8566 -86.7403 -62.7533 762407.2560 0.8988 1.0125 PRESSURE: 389400 -508.915 19.3376 -110.38 19.3375 78.571 -24.8996 -110.38 -24.8987 -303.82 GPRESSURE: 389400 -446.611 52.3311 -156.716 -25.4091 2.88039 -169.073 -73.5834 46.3737 -215.224 PRESSAVG: 389400 25.4349 -12.3333 49.2976 -12.3332 -26.9701 6.51385 49.2976 6.51392 -16.6357 GPRESSAVG: 389400 25.0518 -13.2841 50.0084 -14.8419 -27.544 4.63548 49.6701 10.2268 -15.0675 TIMING: 389400 CPU: 1225.11, 0.0031573/step Wall: 1225.11, 0.0031573/step, 4.04362 hours remaining, 236.027344 MB of memory in use. ENERGY: 389400 3979.4088 20599.5234 14480.5093 239.0993 -203302.9466 2485.2527 0.0000 0.0000 52086.6561 -109432.4969 299.3427 -161519.1531 -109072.2972 298.7505 -244.7212 -219.6514 763565.4295 -6.0570 -5.8532 PRESSURE: 389600 -40.1391 42.9222 -113.277 42.9218 -22.8548 27.1505 -113.276 27.1511 125.558 GPRESSURE: 389600 48.0284 -45.2847 -81.664 82.8952 7.24944 -32.4591 -47.1726 -33.9415 100.599 PRESSAVG: 389600 9.16095 -8.00649 10.791 -8.00656 24.8547 -53.4774 10.791 -53.4773 12.7148 GPRESSAVG: 389600 10.0684 -10.2414 12.5628 -7.05669 25.5446 -53.5761 11.5061 -54.4858 11.0971 TIMING: 389600 CPU: 1225.75, 0.00318264/step Wall: 1225.75, 0.00318264/step, 4.0759 hours remaining, 236.027344 MB of memory in use. ENERGY: 389600 3928.8055 20507.2652 14473.0546 231.9047 -203084.2530 2327.4007 0.0000 0.0000 52136.0344 -109479.7879 299.6265 -161615.8223 -109116.8579 299.4000 20.8548 51.9589 763265.9279 15.5768 15.5701 PRESSURE: 389800 352.369 -3.32293 128.288 -3.32298 95.6365 27.3858 128.287 27.3862 97.8412 GPRESSURE: 389800 390.714 29.8248 191.456 63.5704 166.497 28.794 1.64102 38.921 91.0315 PRESSAVG: 389800 7.48513 -24.0604 -14.4911 -24.0604 48.7854 5.4374 -14.4911 5.43745 8.05177 GPRESSAVG: 389800 7.61911 -21.4352 -14.9309 -24.7396 47.6225 5.18158 -16.3055 6.47573 8.61301 TIMING: 389800 CPU: 1226.38, 0.00318203/step Wall: 1226.38, 0.00318203/step, 4.07494 hours remaining, 236.027344 MB of memory in use. ENERGY: 389800 3944.9782 20629.3460 14429.1948 257.5599 -203511.8948 2849.6575 0.0000 0.0000 51985.2368 -109415.9214 298.7599 -161401.1583 -109064.8811 299.1454 181.9488 216.0811 761378.1868 21.4408 21.2849 PRESSURE: 390000 48.9455 33.9221 -132.794 33.9208 -164.049 -138.344 -132.794 -138.343 44.1998 GPRESSURE: 390000 -28.0852 -7.21008 -233.079 73.6863 -12.7521 -143.385 -41.003 -179.003 72.9231 PRESSAVG: 390000 -11.7043 -14.789 22.2145 -14.789 44.8588 3.05801 22.2146 3.05803 4.48263 GPRESSAVG: 390000 -12.7232 -17.1915 18.7666 -13.2786 45.6429 4.4059 24.787 1.99368 4.67143 TIMING: 390000 CPU: 1227.01, 0.00314645/step Wall: 1227.01, 0.00314645/step, 4.0292 hours remaining, 236.027344 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: 390000 3996.4666 20556.9685 14499.3212 247.0818 -203501.5874 2666.9227 0.0000 0.0000 52089.2549 -109445.5716 299.3577 -161534.8265 -109087.1661 299.0107 -23.6346 10.6953 761719.4683 12.5457 12.5304 PRESSURE: 390200 -496.732 73.7037 161.773 73.7042 -120.349 40.0813 161.773 40.0814 -5.80347 GPRESSURE: 390200 -474.356 4.23031 216.973 -13.354 -116.885 123.758 153.385 160.801 21.5185 PRESSAVG: 390200 -18.7678 -35.7308 44.9376 -35.7308 80.3233 14.3157 44.9376 14.3158 -18.1039 GPRESSAVG: 390200 -18.3557 -34.7974 46.9595 -36.6601 79.5804 15.115 45.1765 13.3159 -17.8954 TIMING: 390200 CPU: 1227.64, 0.00315896/step Wall: 1227.64, 0.00315896/step, 4.04505 hours remaining, 236.027344 MB of memory in use. ENERGY: 390200 3990.9828 20524.4570 14566.2034 252.8770 -203248.5981 2561.2490 0.0000 0.0000 52016.6319 -109336.1970 298.9403 -161352.8289 -108968.1630 299.3171 -207.6279 -189.9073 762784.1666 14.4839 14.4431 PRESSURE: 390400 160.339 -122.115 51.5095 -122.116 228.112 -150.427 51.509 -150.426 -243.099 GPRESSURE: 390400 260.803 -78.8177 57.0561 78.9944 108.507 -47.6228 34.7419 -193.124 -160.808 PRESSAVG: 390400 53.5037 5.43459 31.9066 5.43465 -35.9453 22.0151 31.9065 22.0151 9.86531 GPRESSAVG: 390400 52.8685 6.1825 30.8484 5.79754 -35.7331 20.7984 30.4896 25.6728 9.47 TIMING: 390400 CPU: 1228.27, 0.00314784/step Wall: 1228.27, 0.00314785/step, 4.03064 hours remaining, 236.027344 MB of memory in use. ENERGY: 390400 3930.8343 20643.9899 14460.7009 246.4414 -203232.0564 2484.2783 0.0000 0.0000 51968.9162 -109496.8955 298.6661 -161465.8117 -109147.4133 299.1180 48.4506 69.5008 762378.6827 9.1413 8.8685 PRESSURE: 390600 296.719 170.85 -33.4695 170.849 157.67 -201.703 -33.4696 -201.703 243.185 GPRESSURE: 390600 296.265 166.464 -40.0376 -3.93081 200.065 -104.915 -38.3506 -72.6131 303.682 PRESSAVG: 390600 11.5346 -20.4993 54.0532 -20.4993 -7.84748 -54.7858 54.0532 -54.7858 9.56337 GPRESSAVG: 390600 12.4533 -19.638 55.6289 -19.5201 -7.73744 -55.2539 53.265 -55.4352 8.47938 TIMING: 390600 CPU: 1228.9, 0.00314091/step Wall: 1228.9, 0.00314091/step, 4.02158 hours remaining, 236.027344 MB of memory in use. ENERGY: 390600 3926.5003 20284.6538 14476.0163 244.2672 -203411.8406 2882.9530 0.0000 0.0000 51913.6703 -109683.7798 298.3486 -161597.4501 -109325.6133 298.7235 232.5245 266.6706 761397.4550 4.4168 4.3984 PRESSURE: 390800 -579.071 72.1355 -80.4182 72.1349 -153 -55.8021 -80.418 -55.8011 -474.012 GPRESSURE: 390800 -590.33 -26.0518 -46.5794 16.009 -68.7765 -72.7656 -164.132 -132.057 -455.426 PRESSAVG: 390800 -1.07158 -17.6006 -27.8034 -17.6006 -6.12849 -20.3263 -27.8035 -20.3263 2.15775 GPRESSAVG: 390800 -2.06155 -19.3011 -27.8783 -18.2021 -5.88424 -20.4351 -26.9203 -21.8751 2.9876 TIMING: 390800 CPU: 1229.53, 0.00316114/step Wall: 1229.53, 0.00316114/step, 4.04731 hours remaining, 236.027344 MB of memory in use. ENERGY: 390800 4004.0548 20461.9764 14460.5537 256.0282 -203184.9178 2384.8408 0.0000 0.0000 51779.3179 -109838.1459 297.5765 -161617.4638 -109476.3173 298.8715 -402.0275 -371.5110 760695.7992 -1.6808 -1.6527 PRESSURE: 391000 295.313 -242.419 124.644 -242.418 233.901 -98.2375 124.644 -98.238 92.7103 GPRESSURE: 391000 315.159 -259.064 91.1943 -171.633 336.184 -126.512 162.088 -61.3507 43.1417 PRESSAVG: 391000 34.6692 -23.4755 40.9402 -23.4754 -28.414 -22.6644 40.9402 -22.6644 -10.3781 GPRESSAVG: 391000 34.7889 -22.9837 39.7295 -24.584 -28.7445 -22.3007 40.2801 -22.9445 -9.85911 TIMING: 391000 CPU: 1230.16, 0.00312466/step Wall: 1230.16, 0.00312466/step, 4.00044 hours remaining, 236.027344 MB of memory in use. ENERGY: 391000 3998.8224 20419.8765 14486.3465 266.4034 -203340.0331 2487.5386 0.0000 0.0000 52071.4871 -109609.5586 299.2556 -161681.0457 -109247.6642 298.7023 207.3081 231.4948 760159.7319 -1.3743 -1.2715 PRESSURE: 391200 180.551 76.3054 -79.2657 76.304 192.538 -42.2664 -79.2662 -42.2665 -146.834 GPRESSURE: 391200 180.132 106.327 -46.0686 96.9871 180.414 -70.2652 -69.5968 -132.273 -39.9936 PRESSAVG: 391200 -0.338188 -26.3473 23.1591 -26.3473 9.00381 47.1647 23.1592 47.1647 28.1123 GPRESSAVG: 391200 0.755437 -27.2376 25.7631 -25.8088 8.38574 46.2573 23.6273 45.7165 26.92 TIMING: 391200 CPU: 1230.79, 0.00313719/step Wall: 1230.79, 0.00313719/step, 4.0163 hours remaining, 236.027344 MB of memory in use. ENERGY: 391200 3964.3408 20551.7230 14442.3861 237.2169 -203561.9207 2712.3451 0.0000 0.0000 51969.8940 -109684.0147 298.6717 -161653.9088 -109326.0015 299.0515 75.4184 106.8508 761077.9826 12.2593 12.0204 PRESSURE: 391400 207.585 -167.952 285.553 -167.952 -208.01 -16.5906 285.553 -16.591 -420.548 GPRESSURE: 391400 122.828 -185.209 255.131 -146.973 -135.009 -53.6653 151.412 -124.538 -310.312 PRESSAVG: 391400 -82.5962 16.2876 -3.82909 16.2876 63.7634 -46.2418 -3.8291 -46.2417 15.6284 GPRESSAVG: 391400 -83.8688 16.3131 -3.94237 15.7671 64.6193 -45.8668 -4.83666 -46.223 16.29 TIMING: 391400 CPU: 1231.41, 0.00314139/step Wall: 1231.41, 0.00314139/step, 4.0215 hours remaining, 236.027344 MB of memory in use. ENERGY: 391400 4050.5427 20444.9443 14472.4149 268.8730 -203305.6586 2433.3542 0.0000 0.0000 51797.1118 -109838.4177 297.6787 -161635.5295 -109487.4211 298.6341 -140.3242 -107.4975 760432.6614 -1.0681 -0.9865 PRESSURE: 391600 305.488 73.5502 91.5761 73.5508 131.106 -78.9335 91.5762 -78.934 -55.0874 GPRESSURE: 391600 260.078 -24.7197 127.29 67.984 190.946 -20.4083 104.601 -111.088 3.26314 PRESSAVG: 391600 7.35936 31.6756 9.3301 31.6755 15.6944 -29.6188 9.33009 -29.6188 17.2434 GPRESSAVG: 391600 7.06495 31.0588 7.07387 31.69 14.2838 -28.3843 11.0934 -28.4787 18.8215 TIMING: 391600 CPU: 1232.04, 0.00313024/step Wall: 1232.04, 0.00313025/step, 4.00706 hours remaining, 236.027344 MB of memory in use. ENERGY: 391600 4029.5039 20550.2255 14412.1449 244.6594 -203822.7392 2646.5622 0.0000 0.0000 52297.7962 -109641.8470 300.5562 -161939.6432 -109280.9440 298.7123 127.1689 151.4291 759631.2101 13.4324 13.3901 PRESSURE: 391800 265.755 -13.6682 -27.3566 -13.6685 162.215 -26.2236 -27.3567 -26.2226 138.046 GPRESSURE: 391800 280.551 42.0708 -55.6478 -41.1034 267.179 -7.41828 47.7287 54.9718 95.273 PRESSAVG: 391800 -14.7819 43.5609 15.4105 43.5609 10.8192 -17.8555 15.4105 -17.8554 8.04905 GPRESSAVG: 391800 -14.0005 42.6174 16.6941 42.5588 11.6465 -16.973 15.8101 -17.5505 6.2532 TIMING: 391800 CPU: 1232.67, 0.00314734/step Wall: 1232.67, 0.00314734/step, 4.02877 hours remaining, 236.027344 MB of memory in use. ENERGY: 391800 3995.5632 20675.7942 14473.3141 265.0440 -203649.9168 2809.2101 0.0000 0.0000 51985.3706 -109445.6206 298.7606 -161430.9912 -109085.3474 299.6616 188.6722 214.3344 759384.0006 1.3621 1.2997 PRESSURE: 392000 36.1795 153.399 8.71782 153.399 112.218 79.4725 8.71673 79.4725 238.097 GPRESSURE: 392000 71.7995 55.9878 -31.8605 172.148 140.182 62.1784 150.897 180.733 269.057 PRESSAVG: 392000 0.600982 14.3194 29.424 14.3194 32.021 22.3381 29.424 22.3381 -5.0935 GPRESSAVG: 392000 -1.16871 17.7933 29.1747 13.3527 33.0372 20.9177 30.5822 22.5273 -4.89507 TIMING: 392000 CPU: 1233.3, 0.00314473/step Wall: 1233.3, 0.00314473/step, 4.02526 hours remaining, 236.027344 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: 392000 4018.7029 20651.7860 14430.9971 224.0722 -203414.3767 2641.8461 0.0000 0.0000 51972.1575 -109474.8149 298.6847 -161446.9724 -109117.3198 299.5927 128.8314 160.3461 761215.0016 9.1762 8.9911 PRESSURE: 392200 249.039 -106.771 -38.248 -106.77 356.696 -124.832 -38.2476 -124.834 467.307 GPRESSURE: 392200 290.674 -94.1932 15.6856 -204.437 393.904 -110.234 -42.8426 -227.129 480.134 PRESSAVG: 392200 -2.85212 -40.1146 -6.99563 -40.1146 -11.353 26.701 -6.99562 26.7011 -7.74191 GPRESSAVG: 392200 -2.08098 -44.3047 -7.45254 -38.9417 -11.4268 26.3359 -6.82243 24.705 -8.19637 TIMING: 392200 CPU: 1233.93, 0.00313542/step Wall: 1233.93, 0.00313542/step, 4.01317 hours remaining, 236.027344 MB of memory in use. ENERGY: 392200 4051.4391 20565.3660 14424.7367 237.2433 -203697.9828 2931.2940 0.0000 0.0000 52177.5499 -109310.3540 299.8651 -161487.9039 -108948.2978 299.3601 357.6805 388.2375 760718.4624 -7.3157 -7.2347 LDB: ============= START OF LOAD BALANCING ============== 1246.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1246.38 LDB: =============== DONE WITH MIGRATION ================ 1246.38 LDB: ============= START OF LOAD BALANCING ============== 1246.69 LDB: Largest compute 7026 load 0.035782 is 18.4% of average load 0.194927 LDB: Average compute 0.004387 is 2.3% of average load 0.194927 LDB: TIME 1246.7 LOAD: AVG 0.194927 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.266 MB LDB: TIME 1246.7 LOAD: AVG 0.194927 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: TIME 1246.7 LOAD: AVG 0.194927 MAX 0.214472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: ============== END OF LOAD BALANCING =============== 1246.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1246.7 PRESSURE: 392400 -199.812 28.1874 -130.048 28.1873 -105.392 149.051 -130.048 149.051 -284.225 GPRESSURE: 392400 -253.757 61.9277 -139.922 29.2035 -30.7663 200.811 -137.405 65.8738 -213.804 PRESSAVG: 392400 26.8136 -13.2296 -22.6752 -13.2295 -21.2546 -34.1836 -22.6752 -34.1836 -15.5068 GPRESSAVG: 392400 25.5876 -10.769 -21.5755 -13.1178 -21.1316 -32.5192 -25.2011 -32.5165 -15.06 TIMING: 392400 CPU: 1234.57, 0.00321712/step Wall: 1234.57, 0.00321711/step, 4.11755 hours remaining, 236.585938 MB of memory in use. ENERGY: 392400 4002.5337 20533.6568 14416.8728 249.1717 -203322.8544 2630.9413 0.0000 0.0000 52050.7066 -109438.9715 299.1361 -161489.6781 -109073.1559 299.8696 -196.4760 -166.1092 760532.9900 -3.3159 -3.5347 PRESSURE: 392600 12.0561 -62.9833 -52.5633 -62.9834 137.975 -301.883 -52.5621 -301.883 -7.94482 GPRESSURE: 392600 110.551 -128.117 -90.3778 -32.0631 122.291 -316.964 -30.7939 -256.288 -21.2751 PRESSAVG: 392600 10.4306 -49.4071 -18.3194 -49.4072 -11.8322 -45.0314 -18.3194 -45.0314 13.1801 GPRESSAVG: 392600 13.6524 -51.2084 -17.9604 -48.5228 -13.7444 -45.2496 -17.2727 -45.8692 11.8526 TIMING: 392600 CPU: 1235.2, 0.00314139/step Wall: 1235.2, 0.00314139/step, 4.02046 hours remaining, 236.789062 MB of memory in use. ENERGY: 392600 3988.6954 20750.0967 14559.2497 227.6161 -203359.4668 2654.0949 0.0000 0.0000 52189.1355 -108990.5784 299.9317 -161179.7139 -108634.4728 299.4521 47.3621 70.5221 759710.3140 3.9262 3.9202 PRESSURE: 392800 282.624 106.465 71.6225 106.466 -114.818 -109.069 71.6235 -109.069 153.34 GPRESSURE: 392800 279.754 50.0468 31.1015 36.2642 -61.6719 -130.779 6.33845 -204.409 194.645 PRESSAVG: 392800 -4.65192 3.41836 26.0703 3.41837 -14.8466 -39.9954 26.0703 -39.9954 2.57488 GPRESSAVG: 392800 -5.97255 4.82443 24.6659 1.88858 -14.3799 -40.692 25.5971 -40.9014 3.73504 TIMING: 392800 CPU: 1235.83, 0.00314716/step Wall: 1235.83, 0.00314716/step, 4.02767 hours remaining, 236.789062 MB of memory in use. ENERGY: 392800 3956.8906 20629.9553 14416.2796 237.9180 -202783.7898 2469.0736 0.0000 0.0000 52132.4441 -108941.2286 299.6059 -161073.6727 -108578.2562 300.3198 107.0487 137.5758 759929.3152 -5.6412 -5.5391 PRESSURE: 393000 215.344 -225.397 25.6566 -225.398 -28.1637 116.116 25.657 116.115 353.798 GPRESSURE: 393000 268.926 -191.345 62.6709 -239.723 28.4157 188.84 128.394 102.015 307.917 PRESSAVG: 393000 -6.40281 -14.3995 -44.4417 -14.3994 42.3911 -8.28546 -44.4418 -8.28539 -9.31457 GPRESSAVG: 393000 -5.02621 -14.7605 -43.3696 -13.0391 42.3608 -8.47794 -46.7715 -8.25479 -10.4657 TIMING: 393000 CPU: 1236.46, 0.00314882/step Wall: 1236.46, 0.00314882/step, 4.02961 hours remaining, 236.789062 MB of memory in use. ENERGY: 393000 4038.7712 20658.1989 14492.9047 272.8313 -202972.0563 2469.5851 0.0000 0.0000 52064.8350 -108974.9301 299.2173 -161039.7651 -108622.8547 300.4827 180.3260 201.7530 761622.5639 8.8912 8.9563 PRESSURE: 393200 -141.54 103.744 36.9192 103.744 238.267 -201.229 36.9191 -201.23 -20.8665 GPRESSURE: 393200 -70.2053 70.5991 29.9632 196.929 248.404 -206.659 97.9568 -64.4382 6.54666 PRESSAVG: 393200 -17.6669 -13.8462 -6.24125 -13.8463 14.0565 -24.0381 -6.24125 -24.0382 19.3289 GPRESSAVG: 393200 -19.0033 -12.9144 -6.96194 -14.5965 14.5654 -22.8878 -3.82646 -23.9208 19.7557 TIMING: 393200 CPU: 1237.09, 0.0031631/step Wall: 1237.09, 0.0031631/step, 4.04771 hours remaining, 236.789062 MB of memory in use. ENERGY: 393200 3989.6694 20587.1106 14549.5749 229.8618 -203209.1161 2554.8458 0.0000 0.0000 52182.7738 -109115.2797 299.8951 -161298.0535 -108755.5963 300.5297 25.2870 61.5817 760850.6050 5.2395 5.1059 PRESSURE: 393400 35.6357 -110.148 -60.3743 -110.149 -44.0325 117.136 -60.3741 117.137 -242.948 GPRESSURE: 393400 -94.2546 -151.861 -59.0029 -162.613 102.193 43.5083 61.0286 223.733 -169.226 PRESSAVG: 393400 -20.779 -53.2125 13.9767 -53.2125 33.9051 4.83123 13.9767 4.83124 3.28946 GPRESSAVG: 393400 -20.9277 -54.4718 14.6255 -55.1108 35.1697 2.76568 15.5149 8.28747 3.18775 TIMING: 393400 CPU: 1237.72, 0.00315635/step Wall: 1237.72, 0.00315635/step, 4.0389 hours remaining, 236.789062 MB of memory in use. ENERGY: 393400 4066.3061 20743.6273 14466.7011 241.2052 -203081.5258 2393.3103 0.0000 0.0000 52128.5395 -109041.8364 299.5834 -161170.3759 -108686.3121 300.3690 -83.7816 -53.7626 761274.5342 5.4718 5.8099 PRESSURE: 393600 -7.02384 59.2608 -110.898 59.26 -37.0664 -193.445 -110.898 -193.446 -25.4193 GPRESSURE: 393600 0.754818 67.3024 -106.416 60.5862 -26.8695 -176.271 -77.873 -227.239 24.4475 PRESSAVG: 393600 11.3118 -49.9367 -25.6477 -49.9367 -10.8465 -31.8499 -25.6477 -31.8499 -5.21336 GPRESSAVG: 393600 10.4373 -49.2473 -26.1049 -46.2394 -11.8121 -29.0265 -26.1922 -34.2989 -4.4315 TIMING: 393600 CPU: 1238.35, 0.00312715/step Wall: 1238.35, 0.00312715/step, 4.00136 hours remaining, 236.789062 MB of memory in use. ENERGY: 393600 4032.8795 20488.5253 14455.7337 235.7277 -203218.9923 2552.6867 0.0000 0.0000 52241.8230 -109211.6164 300.2345 -161453.4394 -108846.8935 300.2472 -23.1699 -0.5557 761984.4022 -1.5827 -1.9354 PRESSURE: 393800 -26.6395 -102.522 145.134 -102.522 -77.9001 112.641 145.134 112.642 231.247 GPRESSURE: 393800 57.7076 -38.2117 147.355 -89.3828 -25.5371 118.778 108.891 115.846 182.484 PRESSAVG: 393800 16.0933 -25.0371 42.8193 -25.0371 -42.1298 -10.7962 42.8193 -10.7961 17.3518 GPRESSAVG: 393800 16.4 -26.0354 42.9004 -26.4747 -41.202 -12.5815 40.9894 -10.8856 16.3944 TIMING: 393800 CPU: 1238.97, 0.00314239/step Wall: 1238.97, 0.00314239/step, 4.02069 hours remaining, 236.789062 MB of memory in use. ENERGY: 393800 4012.9206 20638.5502 14565.3557 273.0819 -203221.5190 2403.7764 0.0000 0.0000 52108.7983 -109219.0359 299.4700 -161327.8342 -108851.7200 299.7086 42.2358 71.5516 761064.4765 -2.8949 -2.8025 PRESSURE: 394000 -115.941 -290.329 27.4291 -290.329 -20.7969 144.193 27.4296 144.193 183.376 GPRESSURE: 394000 35.5581 -330.741 -29.0587 -186.652 -38.2354 176.093 162.702 91.8039 134.964 PRESSAVG: 394000 -14.0166 -24.6559 -11.4174 -24.6559 49.4415 23.8938 -11.4174 23.8938 -1.50777 GPRESSAVG: 394000 -12.4207 -25.6173 -11.1882 -22.5781 48.5015 23.7089 -9.46563 25.0635 -1.91073 TIMING: 394000 CPU: 1239.6, 0.00313271/step Wall: 1239.6, 0.00313271/step, 4.00813 hours remaining, 236.789062 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: 394000 3967.1401 20570.9679 14547.7998 241.3943 -203425.1436 2650.5340 0.0000 0.0000 52391.9106 -109055.3969 301.0970 -161447.3074 -108692.7763 300.3371 15.5459 44.0954 759204.1529 11.3057 11.3900 PRESSURE: 394200 -248.792 -22.8489 -192.001 -22.8497 296.123 225.79 -192.002 225.79 -278.404 GPRESSURE: 394200 -242.781 -12.3046 -262.134 88.3712 243.609 220.068 -101.62 186.762 -137.315 PRESSAVG: 394200 -53.9654 -2.41433 -15.9467 -2.41432 34.7111 -4.99948 -15.9468 -4.99942 -7.104 GPRESSAVG: 394200 -56.0349 -0.0117493 -17.7557 -3.78937 36.6788 -5.43211 -14.5704 -5.67029 -6.64495 TIMING: 394200 CPU: 1240.23, 0.00315955/step Wall: 1240.23, 0.00315955/step, 4.0423 hours remaining, 236.789062 MB of memory in use. ENERGY: 394200 4026.6343 20690.2650 14458.6928 259.6245 -203114.9115 2537.3896 0.0000 0.0000 52143.6323 -108998.6729 299.6702 -161142.3052 -108637.9417 300.6026 -77.0242 -45.4957 760117.9983 -8.7861 -8.6670 PRESSURE: 394400 -323.7 224.838 57.453 224.837 -134.076 43.7679 57.4531 43.768 49.0954 GPRESSURE: 394400 -392.972 206.995 103.427 165.043 -27.3955 42.8561 -72.4429 3.19278 92.4612 PRESSAVG: 394400 20.2149 -26.9052 -18.9638 -26.9052 5.48525 25.44 -18.9638 25.44 27.9181 GPRESSAVG: 394400 20.3864 -27.1109 -17.7576 -28.25 5.62297 26.9821 -20.6402 24.5204 27.6667 TIMING: 394400 CPU: 1240.87, 0.00316643/step Wall: 1240.87, 0.00316643/step, 4.05092 hours remaining, 236.789062 MB of memory in use. ENERGY: 394400 4027.1425 20675.3678 14436.2128 248.5280 -202934.7663 2442.6821 0.0000 0.0000 52036.6474 -109068.1856 299.0553 -161104.8331 -108701.9736 300.4578 -136.2270 -109.3023 761885.4812 17.8728 17.8920 PRESSURE: 394600 -149.703 153.774 -158.235 153.774 -203.409 -164.598 -158.235 -164.598 -127.053 GPRESSURE: 394600 -117.749 144.317 -205.333 57.5696 -190.71 -46.9957 -22.9333 -153.349 -75.0873 PRESSAVG: 394600 17.7388 -0.0963094 -29.8316 -0.0963139 1.65407 -10.7691 -29.8316 -10.7692 -19.9046 GPRESSAVG: 394600 17.6439 0.0743908 -30.2129 -0.664732 1.01207 -13.5701 -29.938 -9.13849 -19.0306 TIMING: 394600 CPU: 1241.5, 0.00315937/step Wall: 1241.5, 0.00315937/step, 4.04171 hours remaining, 236.789062 MB of memory in use. ENERGY: 394600 4055.5328 20636.9284 14376.3647 242.4107 -203045.0503 2329.2822 0.0000 0.0000 52164.8081 -109239.7233 299.7919 -161404.5314 -108883.9071 300.7119 -160.0548 -127.8488 760979.5152 -0.1706 -0.1249 PRESSURE: 394800 -298.684 -336.033 -44.8217 -336.033 -245.945 -73.1795 -44.8224 -73.1791 -193.651 GPRESSURE: 394800 -235.188 -263.399 25.348 -494.287 -205.482 -23.9198 -65.0226 -132.002 -204.797 PRESSAVG: 394800 -73.6989 -8.31774 -26.4051 -8.31769 24.542 -14.6959 -26.4051 -14.6959 3.27512 GPRESSAVG: 394800 -72.8744 -8.10255 -25.2032 -8.71628 24.2324 -13.3965 -26.2561 -16.9247 2.3865 TIMING: 394800 CPU: 1242.13, 0.00313728/step Wall: 1242.13, 0.00313728/step, 4.01328 hours remaining, 236.789062 MB of memory in use. ENERGY: 394800 3956.2032 20598.5898 14444.1396 242.0045 -202885.8126 2298.7363 0.0000 0.0000 52284.9472 -109061.1919 300.4823 -161346.1391 -108713.5520 299.8494 -246.0932 -215.1558 763511.9873 -15.2939 -15.4185 PRESSURE: 395000 -267.497 -153.152 150.94 -153.153 -22.7149 -235.44 150.939 -235.441 -183.219 GPRESSURE: 395000 -164.065 -85.2917 172.759 -232.728 -108.432 -282.654 73.1066 -180.73 -125.73 PRESSAVG: 395000 -12.5618 -10.7159 -9.5402 -10.7159 -21.1966 -49.802 -9.54017 -49.802 8.27251 GPRESSAVG: 395000 -12.3496 -10.4318 -10.7331 -10.598 -21.3807 -48.7899 -9.22948 -48.0294 8.09968 TIMING: 395000 CPU: 1242.75, 0.0031409/step Wall: 1242.75, 0.0031409/step, 4.01773 hours remaining, 237.046875 MB of memory in use. ENERGY: 395000 3958.4040 20448.7315 14432.5768 246.2109 -203033.4612 2383.1924 0.0000 0.0000 52397.2135 -109167.1321 301.1275 -161564.3455 -108797.1428 300.4595 -157.8103 -132.7422 763135.7254 -8.4953 -8.5435 PRESSURE: 395200 189.625 -148.368 -183.906 -148.367 -191.269 -148.577 -183.907 -148.576 284.52 GPRESSURE: 395200 175.623 -8.25858 -127.15 -146.885 -52.7554 -182.782 -216.748 -145.866 206.718 PRESSAVG: 395200 37.6595 -12.3667 24.0248 -12.3667 -39.1408 -4.43841 24.0248 -4.43841 4.38729 GPRESSAVG: 395200 36.9643 -13.7947 26.7995 -11.3704 -38.7361 -6.06182 20.9207 -4.47889 5.1873 TIMING: 395200 CPU: 1243.38, 0.00315417/step Wall: 1243.38, 0.00315417/step, 4.03454 hours remaining, 237.046875 MB of memory in use. ENERGY: 395200 3958.7029 20441.5392 14499.8733 245.0533 -203091.7643 2527.9449 0.0000 0.0000 52239.7151 -109178.9356 300.2224 -161418.6507 -108822.0045 299.9061 94.2924 109.8618 762556.6970 0.9687 1.1385 PRESSURE: 395400 188.397 83.4405 -64.2244 83.4402 154.325 145.239 -64.224 145.24 -45.5487 GPRESSURE: 395400 262.92 -5.43198 -36.6964 29.0352 229.366 143.757 4.68752 101.756 -117.378 PRESSAVG: 395400 -24.576 -29.1416 -28.5278 -29.1416 -7.68334 -8.4022 -28.5278 -8.40225 32.3294 GPRESSAVG: 395400 -24.2122 -30.3837 -30.9708 -29.3496 -7.98595 -8.25054 -25.314 -8.71961 32.3217 TIMING: 395400 CPU: 1244.01, 0.00315229/step Wall: 1244.01, 0.00315229/step, 4.03195 hours remaining, 237.046875 MB of memory in use. ENERGY: 395400 3953.1626 20594.6407 14426.3981 242.2381 -203284.6377 2610.5565 0.0000 0.0000 52308.3248 -109149.3169 300.6167 -161457.6416 -108802.9592 300.1251 99.0577 124.9691 761021.1018 0.0234 0.0412 PRESSURE: 395600 41.3473 191.715 -89.0678 191.715 -304.509 -187.667 -89.068 -187.667 -163.204 GPRESSURE: 395600 13.0968 145.785 -181.799 124.793 -281.004 -189.141 -205.391 -67.1773 -77.3364 PRESSAVG: 395600 37.7431 -27.9144 7.28905 -27.9144 -2.82987 -47.6372 7.28901 -47.6371 -1.43452 GPRESSAVG: 395600 38.0058 -27.4559 6.29725 -27.353 -3.86027 -49.7841 9.42535 -45.1758 -1.30272 TIMING: 395600 CPU: 1244.64, 0.00313644/step Wall: 1244.64, 0.00313644/step, 4.01151 hours remaining, 237.046875 MB of memory in use. ENERGY: 395600 3933.1589 20525.7365 14454.0112 256.3188 -203077.9776 2553.6579 0.0000 0.0000 52078.2400 -109276.8543 299.2944 -161355.0944 -108910.9767 300.1346 -142.1219 -115.0811 761345.9352 11.1596 10.9476 PRESSURE: 395800 -59.0409 -56.2367 104.82 -56.2369 -64.7036 133.523 104.821 133.523 62.4746 GPRESSURE: 395800 8.30085 37.073 119.317 -19.5373 -45.1503 135.964 96.0745 104.556 58.8981 PRESSAVG: 395800 58.4158 19.9274 20.7542 19.9274 -60.8947 -35.2269 20.7542 -35.2269 -25.253 GPRESSAVG: 395800 58.6572 21.7451 23.1497 17.7267 -58.3463 -32.734 20.0046 -36.719 -26.5597 TIMING: 395800 CPU: 1245.27, 0.00313662/step Wall: 1245.27, 0.00313662/step, 4.01156 hours remaining, 237.046875 MB of memory in use. ENERGY: 395800 4089.6836 20538.9548 14436.1359 244.7802 -203205.1342 2576.5497 0.0000 0.0000 52283.0057 -109036.0242 300.4712 -161319.0300 -108666.8541 299.8166 -20.4233 7.3495 762088.8023 -9.2440 -8.7496 PRESSURE: 396000 -62.1261 15.9995 -22.5731 15.9997 62.8808 -255.604 -22.5723 -255.603 175.273 GPRESSURE: 396000 123.266 196.711 -120.385 95.1111 -20.7927 -278.647 25.4538 -221.655 147.925 PRESSAVG: 396000 37.171 11.4183 18.2574 11.4183 -43.446 -42.0306 18.2574 -42.0305 4.5681 GPRESSAVG: 396000 36.8827 10.1065 17.1648 10.3623 -44.7915 -42.3706 17.0375 -44.9754 5.97395 TIMING: 396000 CPU: 1245.89, 0.00311705/step Wall: 1245.89, 0.00311705/step, 3.98636 hours remaining, 237.046875 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: 396000 4063.9713 20458.3760 14443.3830 263.0749 -203166.1407 2431.4222 0.0000 0.0000 52344.5684 -109161.3448 300.8250 -161505.9132 -108796.0139 300.3539 58.6758 83.4661 760583.2120 -0.5689 -0.6449 PRESSURE: 396200 -134.607 -214.548 39.2568 -214.549 -260.122 -155.207 39.2566 -155.207 -187.01 GPRESSURE: 396200 -89.5789 -63.8305 -29.716 -135.23 -232.098 -155.054 -6.84298 -95.3714 -157.245 PRESSAVG: 396200 13.6084 -15.3057 28.9503 -15.3058 -17.7807 -40.5769 28.9503 -40.5769 -4.54906 GPRESSAVG: 396200 13.7695 -15.7939 27.9341 -12.348 -17.9497 -39.2803 28.8555 -38.3621 -4.76121 TIMING: 396200 CPU: 1246.52, 0.00313217/step Wall: 1246.52, 0.00313217/step, 4.00553 hours remaining, 237.046875 MB of memory in use. ENERGY: 396200 4140.1372 20629.5259 14424.1981 252.4842 -202997.4892 2352.6008 0.0000 0.0000 52021.2500 -109177.2931 298.9668 -161198.5431 -108812.1168 300.2997 -193.9132 -159.6406 761016.9343 -2.9071 -2.9804 LDB: ============= START OF LOAD BALANCING ============== 1258.97 LDB: ============== END OF LOAD BALANCING =============== 1258.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1258.97 LDB: ============= START OF LOAD BALANCING ============== 1259.28 LDB: Largest compute 7048 load 0.033449 is 17.2% of average load 0.194961 LDB: Average compute 0.004375 is 2.2% of average load 0.194961 LDB: TIME 1259.29 LOAD: AVG 0.194961 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.328 MB LDB: TIME 1259.29 LOAD: AVG 0.194961 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: TIME 1259.29 LOAD: AVG 0.194961 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: ============== END OF LOAD BALANCING =============== 1259.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1259.29 PRESSURE: 396400 -187.956 89.1712 125.499 89.1719 63.9303 -66.9108 125.499 -66.9105 422.789 GPRESSURE: 396400 -213.727 3.80339 89.844 12.4314 230.55 -92.4022 -10.9384 -180.966 370.046 PRESSAVG: 396400 -15.0554 -23.1628 10.858 -23.1628 13.5433 -45.0085 10.8581 -45.0085 -18.116 GPRESSAVG: 396400 -15.747 -23.4584 13.0603 -22.2952 14.2704 -46.1384 8.70496 -42.3029 -18.5902 TIMING: 396400 CPU: 1247.16, 0.00319765/step Wall: 1247.16, 0.00319765/step, 4.08908 hours remaining, 234.792969 MB of memory in use. ENERGY: 396400 3987.0606 20614.7987 14500.6509 244.6342 -203348.5970 2639.2104 0.0000 0.0000 52025.8148 -109336.4273 298.9931 -161362.2421 -108972.0355 299.9136 99.5876 128.9565 758662.6814 -6.5427 -6.6889 PRESSURE: 396600 285.899 98.2251 -208.099 98.2242 414.263 89.8129 -208.099 89.8128 158.048 GPRESSURE: 396600 392.115 -39.5293 -141.749 165.249 340.632 96.6564 -66.2133 57.3137 201.564 PRESSAVG: 396600 14.0986 -17.8516 31.0761 -17.8515 42.9499 8.82001 31.0761 8.81996 -6.92763 GPRESSAVG: 396600 12.5629 -18.3047 29.0606 -18.7134 43.1389 10.2082 34.1801 7.55252 -5.77898 TIMING: 396600 CPU: 1247.79, 0.00314923/step Wall: 1247.79, 0.00314923/step, 4.02699 hours remaining, 234.792969 MB of memory in use. ENERGY: 396600 3988.3296 20702.1398 14484.4918 233.1640 -203487.3637 2842.6994 0.0000 0.0000 51984.2626 -109252.2766 298.7543 -161236.5391 -108887.1846 299.8761 286.0700 311.4369 760529.3043 16.7070 16.6410 PRESSURE: 396800 7.16689 252.794 -13.8918 252.794 -293.466 119.037 -13.8923 119.036 -116.772 GPRESSURE: 396800 60.0258 280.04 -22.0651 113.941 -159.347 109.517 -38.1488 162.404 -196.275 PRESSAVG: 396800 -9.74535 -21.0668 -44.3683 -21.0668 17.2353 -26.5441 -44.3683 -26.5441 29.845 GPRESSAVG: 396800 -8.32739 -19.0314 -43.0825 -21.7929 16.8232 -26.0354 -45.3655 -30.3968 29.333 TIMING: 396800 CPU: 1248.42, 0.0031622/step Wall: 1248.42, 0.0031622/step, 4.0434 hours remaining, 234.792969 MB of memory in use. ENERGY: 396800 4060.2726 20505.9835 14463.2622 225.6810 -203352.0955 2594.6003 0.0000 0.0000 52323.2684 -109179.0275 300.7025 -161502.2959 -108809.1144 300.0730 -134.3572 -98.5318 762142.8280 12.4450 12.6096 PRESSURE: 397000 507.464 -45.4908 13.7211 -45.4915 -56.5243 -259.034 13.7212 -259.034 320.921 GPRESSURE: 397000 500.639 -16.987 53.819 -130.411 22.0585 -179.761 -39.2658 -202.778 329.93 PRESSAVG: 397000 0.841996 -32.0813 40.4776 -32.0813 -8.70562 0.0812006 40.4776 0.0812316 3.76468 GPRESSAVG: 397000 -0.190424 -32.8355 40.7095 -30.9419 -8.40409 -0.297814 39.2708 3.83879 4.06427 TIMING: 397000 CPU: 1249.04, 0.00311711/step Wall: 1249.04, 0.00311711/step, 3.98557 hours remaining, 234.792969 MB of memory in use. ENERGY: 397000 3947.8594 20627.8217 14514.8700 229.7932 -203626.2891 2777.8499 0.0000 0.0000 52423.1754 -109104.9196 301.2767 -161528.0949 -108741.3965 299.8912 257.2872 284.2092 762409.9871 -1.3663 -1.5101 PRESSURE: 397200 -420.277 -90.0357 131.125 -90.0358 137.879 -171.967 131.125 -171.967 -39.7768 GPRESSURE: 397200 -417.745 -117.58 173.399 -94.5338 172.901 -75.0822 100.292 -211.428 1.52802 PRESSAVG: 397200 16.7751 21.8758 -11.9448 21.8757 -27.7196 26.5063 -11.9448 26.5064 5.89725 GPRESSAVG: 397200 17.3424 24.4377 -13.5246 21.2637 -28.284 25.8465 -12.119 24.7086 6.26032 TIMING: 397200 CPU: 1249.67, 0.00314569/step Wall: 1249.67, 0.00314569/step, 4.02194 hours remaining, 234.792969 MB of memory in use. ENERGY: 397200 4098.3355 20758.7882 14479.3714 260.6658 -202879.7823 2265.3548 0.0000 0.0000 51980.3412 -109036.9253 298.7317 -161017.2666 -108687.2713 300.5026 -107.3917 -81.1052 761496.2068 -1.6824 -1.5604 PRESSURE: 397400 -102.119 8.74106 -349.174 8.74067 59.6805 -72.6429 -349.174 -72.6431 365.518 GPRESSURE: 397400 25.4858 -81.3011 -360.712 3.23164 81.9744 -114.938 -267.509 -30.2064 301.559 PRESSAVG: 397400 -25.2459 -41.8875 -3.30698 -41.8875 11.6157 13.0978 -3.30692 13.0978 36.3131 GPRESSAVG: 397400 -24.5233 -43.842 -0.624957 -40.1443 10.395 11.3986 -2.20367 13.8159 36.0462 TIMING: 397400 CPU: 1250.3, 0.00314895/step Wall: 1250.3, 0.00314895/step, 4.02593 hours remaining, 234.792969 MB of memory in use. ENERGY: 397400 3965.2236 20678.8153 14476.3103 272.6236 -203533.3415 2737.2296 0.0000 0.0000 52042.4095 -109360.7297 299.0884 -161403.1392 -109015.3938 300.0050 107.6929 136.3398 759962.8839 7.5610 7.3060 PRESSURE: 397600 -357.671 -119.885 1.64329 -119.884 187.168 -46.906 1.64297 -46.9062 -212.045 GPRESSURE: 397600 -284.722 -46.3466 -46.2712 22.6042 189.28 40.1238 76.8094 -47.396 -196.326 PRESSAVG: 397600 -40.4594 -30.1526 -13.9557 -30.1526 51.5858 -20.8553 -13.9558 -20.8552 0.0364003 GPRESSAVG: 397600 -40.0021 -29.5638 -14.9759 -31.6547 51.5243 -18.5918 -14.0645 -20.5088 -0.339857 TIMING: 397600 CPU: 1250.93, 0.00313345/step Wall: 1250.93, 0.00313345/step, 4.00594 hours remaining, 234.792969 MB of memory in use. ENERGY: 397600 4020.5129 20481.4200 14454.4693 247.4684 -203064.7359 2591.1868 0.0000 0.0000 52099.6615 -109170.0169 299.4175 -161269.6785 -108809.2776 299.5501 -127.5163 -97.2563 764251.5400 3.7209 3.7274 PRESSURE: 397800 -178.264 -51.6531 -186.088 -51.6534 157.912 183.524 -186.088 183.523 337.529 GPRESSURE: 397800 -72.5168 -41.5494 -215.261 -134.406 162.848 170.41 -280.962 61.7046 325.396 PRESSAVG: 397800 20.2349 -18.6402 -17.281 -18.6402 22.6059 -3.54844 -17.2809 -3.54846 13.2348 GPRESSAVG: 397800 20.6186 -20.6063 -17.5614 -17.5898 22.4886 -4.88885 -16.6231 -6.17914 12.7598 TIMING: 397800 CPU: 1251.56, 0.00316035/step Wall: 1251.56, 0.00316035/step, 4.04016 hours remaining, 234.792969 MB of memory in use. ENERGY: 397800 3961.6324 20582.0493 14469.8156 267.6717 -203072.1651 2528.7347 0.0000 0.0000 52143.2984 -109118.9630 299.6683 -161262.2614 -108761.1962 299.7707 105.7258 138.5759 763459.1603 18.6919 18.6223 PRESSURE: 398000 -70.909 -157.822 105.729 -157.822 -491.332 137.021 105.729 137.021 -82.0255 GPRESSURE: 398000 9.47178 -70.4091 109.185 -76.9335 -469.641 87.0736 103.604 187.972 -99.334 PRESSAVG: 398000 -46.9651 -61.8143 -28.1071 -61.8144 18.8891 44.4811 -28.1072 44.4811 12.3017 GPRESSAVG: 398000 -46.9789 -58.9838 -29.1267 -65.2138 19.0518 43.6981 -27.2817 46.8157 12.6616 TIMING: 398000 CPU: 1252.19, 0.00316334/step Wall: 1252.19, 0.00316334/step, 4.04381 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: 398000 3961.4564 20559.4033 14475.7015 238.6953 -203071.1258 2401.0267 0.0000 0.0000 52148.4509 -109286.3916 299.6979 -161434.8426 -108918.2782 299.7908 -214.7553 -186.5012 763278.9061 -5.2581 -5.0885 PRESSURE: 398200 288.55 28.2709 -5.75236 28.2708 217.461 -27.597 -5.75272 -27.5975 80.9346 GPRESSURE: 398200 349.995 -24.3906 -24.5417 75.7216 258.704 -41.4354 -180.48 -117.085 59.8271 PRESSAVG: 398200 4.66919 -50.6831 9.58769 -50.6831 -32.0957 -10.8065 9.58774 -10.8063 -30.7321 GPRESSAVG: 398200 4.39155 -51.7518 10.1389 -47.2502 -31.8913 -10.4016 7.3775 -11.1997 -30.296 TIMING: 398200 CPU: 1252.83, 0.00315769/step Wall: 1252.83, 0.00315769/step, 4.0364 hours remaining, 234.792969 MB of memory in use. ENERGY: 398200 4050.9254 20547.7235 14512.7298 262.6412 -203459.4130 2975.2064 0.0000 0.0000 51982.1071 -109128.0797 298.7419 -161110.1867 -108769.5143 299.6742 195.6486 222.8422 761634.5324 -19.3862 -19.2653 PRESSURE: 398400 -137.818 -122.28 -107.769 -122.28 -63.4542 113.179 -107.768 113.179 219.196 GPRESSURE: 398400 -261.449 -223.502 -92.6332 -119.965 72.2808 -20.6383 -81.6775 172.301 291.159 PRESSAVG: 398400 -5.28086 5.59534 -28.6528 5.5953 4.68523 47.7815 -28.6527 47.7815 3.39416 GPRESSAVG: 398400 -6.36249 2.56425 -29.1046 5.20854 5.72536 48.5661 -27.9662 46.238 3.28122 TIMING: 398400 CPU: 1253.46, 0.0031756/step Wall: 1253.46, 0.0031756/step, 4.05912 hours remaining, 234.792969 MB of memory in use. ENERGY: 398400 3842.8050 20639.1146 14449.3835 246.3949 -203116.8699 2596.6242 0.0000 0.0000 52108.3012 -109234.2465 299.4671 -161342.5476 -108869.0039 299.2178 5.9744 33.9969 763547.0056 0.9328 0.8814 PRESSURE: 398600 -47.0091 -58.4983 97.1427 -58.4979 -356.547 90.7352 97.1436 90.7359 43.513 GPRESSURE: 398600 -17.8259 15.0932 92.4661 -62.1926 -244.313 183.137 113.172 180.129 -4.53332 PRESSAVG: 398600 -0.0367183 0.410343 -14.7888 0.410305 -4.12778 13.4522 -14.7889 13.4522 13.3146 GPRESSAVG: 398600 0.587322 1.12937 -14.3255 -0.830849 -4.31494 12.4104 -13.8161 17.7392 12.8662 TIMING: 398600 CPU: 1254.09, 0.00314234/step Wall: 1254.09, 0.00314234/step, 4.01643 hours remaining, 234.792969 MB of memory in use. ENERGY: 398600 4068.1886 20430.1001 14343.2631 246.6386 -203021.2492 2481.4943 0.0000 0.0000 52315.0624 -109136.5021 300.6554 -161451.5645 -108759.4098 299.5650 -120.0145 -88.8908 761116.4600 3.0500 3.0462 PRESSURE: 398800 -57.9282 53.4448 87.4232 53.4452 -17.0292 109.542 87.4235 109.543 184.684 GPRESSURE: 398800 46.8066 51.8212 72.9495 29.4508 -66.9589 72.113 39.0203 45.3921 193.763 PRESSAVG: 398800 -10.5536 -9.45134 30.5487 -9.45129 -12.5924 62.9782 30.5487 62.9782 20.3999 GPRESSAVG: 398800 -10.1145 -9.03369 29.2293 -8.30063 -14.0722 62.5402 28.6574 59.8825 21.1002 TIMING: 398800 CPU: 1254.72, 0.00312853/step Wall: 1254.72, 0.00312853/step, 3.99861 hours remaining, 234.792969 MB of memory in use. ENERGY: 398800 3946.0264 20662.8324 14471.1854 236.6057 -203063.9784 2447.9331 0.0000 0.0000 52286.1174 -109013.2780 300.4890 -161299.3954 -108647.1878 299.9445 36.5754 57.8703 762190.1197 -0.9154 -1.0288 PRESSURE: 399000 -194.236 -217.716 -17.9374 -217.717 5.31938 73.1638 -17.9373 73.1639 -179.775 GPRESSURE: 399000 -117.621 -186.524 68.3326 -199.961 30.8597 98.6917 18.1671 64.8007 -214.244 PRESSAVG: 399000 -49.6005 24.3611 -22.1029 24.3611 49.4379 37.3876 -22.103 37.3876 -11.0556 GPRESSAVG: 399000 -50.4471 23.9068 -22.0037 25.8868 49.9446 36.2752 -19.6296 38.5597 -10.9805 TIMING: 399000 CPU: 1255.35, 0.00315784/step Wall: 1255.35, 0.00315784/step, 4.0359 hours remaining, 234.792969 MB of memory in use. ENERGY: 399000 3969.0031 20601.3715 14457.7531 241.1308 -202959.4680 2655.8418 0.0000 0.0000 52137.7582 -108896.6096 299.6364 -161034.3677 -108529.7806 300.2610 -122.8973 -100.3350 762836.7965 -3.7394 -3.8277 PRESSURE: 399200 17.3613 68.2757 -11.4567 68.2756 145.856 -156.55 -11.4555 -156.55 224.664 GPRESSURE: 399200 84.0183 12.5926 23.8952 -11.2584 144.213 -121.57 -63.0422 -167.555 240.866 PRESSAVG: 399200 -0.253886 -3.5786 -18.479 -3.57868 13.0116 24.5289 -18.4789 24.5289 0.560969 GPRESSAVG: 399200 -0.126132 -2.82387 -17.3596 -6.77563 13.8637 27.6816 -19.9575 22.0104 -0.186991 TIMING: 399200 CPU: 1255.98, 0.00315717/step Wall: 1255.98, 0.00315717/step, 4.03487 hours remaining, 234.792969 MB of memory in use. ENERGY: 399200 4021.8136 20567.7952 14450.2460 235.1231 -203457.4013 2793.9353 0.0000 0.0000 52264.8669 -109123.6210 300.3669 -161388.4880 -108757.7504 300.2438 129.2939 156.3661 762272.4052 4.4396 4.5169 PRESSURE: 399400 -363.889 74.8138 -12.4177 74.8144 85.1828 -49.8829 -12.4175 -49.8846 -157.184 GPRESSURE: 399400 -233.269 99.7467 -95.8594 32.4376 2.13185 49.7814 65.6518 -13.3213 -122.751 PRESSAVG: 399400 -42.1887 37.4072 37.8419 37.4072 20.1717 3.06197 37.8419 3.06198 14.7036 GPRESSAVG: 399400 -43.0874 37.4784 37.4055 37.241 19.0189 1.47929 36.4946 6.64141 16.496 TIMING: 399400 CPU: 1256.61, 0.00315915/step Wall: 1256.61, 0.00315915/step, 4.03721 hours remaining, 234.792969 MB of memory in use. ENERGY: 399400 4026.1265 20550.6561 14425.7698 234.1058 -203228.0357 2530.8012 0.0000 0.0000 52165.1221 -109295.4543 299.7937 -161460.5764 -108925.3236 299.8263 -145.2969 -117.9627 761123.2464 -2.4378 -2.5241 PRESSURE: 399600 -173.061 -115.961 15.238 -115.961 15.1275 37.1552 15.2382 37.1548 92.2564 GPRESSURE: 399600 -100.333 -74.7467 84.0266 -81.6829 80.7422 80.4724 75.2408 -5.50003 51.0052 PRESSAVG: 399600 -10.1824 -36.2854 12.4393 -36.2854 -35.1702 22.8887 12.4393 22.8887 1.78029 GPRESSAVG: 399600 -9.01203 -37.4178 12.7911 -36.5078 -34.7256 22.8989 14.7646 21.5236 0.333805 TIMING: 399600 CPU: 1257.25, 0.00317765/step Wall: 1257.25, 0.00317765/step, 4.06069 hours remaining, 234.792969 MB of memory in use. ENERGY: 399600 3984.7913 20461.4192 14428.1630 244.7303 -203050.1001 2433.8269 0.0000 0.0000 52339.9687 -109157.2007 300.7985 -161497.1694 -108798.6038 299.6737 -21.8923 10.4716 761362.7598 -14.5241 -14.4679 PRESSURE: 399800 97.4227 -6.65716 195.671 -6.65642 -176.056 -25.0411 195.67 -25.0413 -190.276 GPRESSURE: 399800 218.324 -28.0442 197.209 -15.8171 -184.179 -22.7053 241.436 -19.7824 -219.863 PRESSAVG: 399800 -70.5479 -17.0762 19.8261 -17.0763 60.0621 -68.6011 19.8261 -68.6011 21.2702 GPRESSAVG: 399800 -72.2414 -16.1526 19.7825 -15.707 61.41 -69.346 19.562 -69.1237 21.2728 TIMING: 399800 CPU: 1257.87, 0.00314278/step Wall: 1257.87, 0.00314279/step, 4.01596 hours remaining, 234.792969 MB of memory in use. ENERGY: 399800 4064.6924 20422.5157 14443.8823 245.0772 -203246.0834 2501.7592 0.0000 0.0000 52340.0496 -109228.1071 300.7990 -161568.1567 -108858.1480 299.8693 -89.6365 -61.9061 760903.9923 3.5948 3.4805 PRESSURE: 400000 317.664 165.06 -139.367 165.06 -60.2269 11.3556 -139.368 11.3541 -45.6244 GPRESSURE: 400000 333.692 173.474 -58.3344 120.485 7.52472 4.2304 -344.938 1.5794 -40.3131 PRESSAVG: 400000 19.7621 11.3391 -1.79298 11.3391 18.8216 -37.4803 -1.79301 -37.4803 11.3255 GPRESSAVG: 400000 20.2088 12.6357 -2.35386 11.1359 17.5329 -36.0841 -4.06378 -36.738 11.9166 TIMING: 400000 CPU: 1258.51, 0.00315434/step Wall: 1258.51, 0.00315434/step, 4.03054 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: 400000 3919.9963 20431.6596 14433.6494 259.0583 -203323.1539 2678.7356 0.0000 0.0000 51973.3892 -109626.6654 298.6918 -161600.0546 -109264.0721 298.9527 70.6043 100.3012 761818.2751 16.6364 16.5528 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.014 seconds, 234.793 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.005 seconds, 234.793 MB of memory in use PRESSURE: 400200 -284.991 -8.12423 163.339 -8.12395 -281.707 85.8265 163.339 85.8263 187.562 GPRESSURE: 400200 -264.349 -61.7671 182.77 -33.5033 -232.445 -53.7794 275.579 76.2089 186.216 PRESSAVG: 400200 22.6046 -38.6043 -6.96099 -38.6042 -32.7172 -4.08461 -6.96097 -4.08468 -5.41529 GPRESSAVG: 400200 22.244 -39.426 -6.47166 -39.7323 -31.2358 -5.07192 -7.05928 -5.17596 -6.8615 TIMING: 400200 CPU: 1259.16, 0.00326568/step Wall: 1259.16, 0.00326568/step, 4.17264 hours remaining, 234.792969 MB of memory in use. ENERGY: 400200 3963.4968 20470.8932 14380.3752 247.3216 -202859.8828 2320.9930 0.0000 0.0000 51953.9943 -109522.8087 298.5803 -161476.8031 -109166.4279 298.9703 -126.3790 -103.5262 761912.1510 -5.1760 -5.2844 LDB: ============= START OF LOAD BALANCING ============== 1271.61 LDB: ============== END OF LOAD BALANCING =============== 1271.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1271.61 LDB: ============= START OF LOAD BALANCING ============== 1271.92 LDB: Largest compute 7026 load 0.035118 is 18.0% of average load 0.194864 LDB: Average compute 0.004397 is 2.3% of average load 0.194864 LDB: TIME 1271.93 LOAD: AVG 0.194864 MAX 0.212909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.824 MB LDB: TIME 1271.93 LOAD: AVG 0.194864 MAX 0.212909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 1271.93 LOAD: AVG 0.194864 MAX 0.212909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 1271.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1271.93 PRESSURE: 400400 48.0084 -29.1526 20.4819 -29.1527 -38.3464 -201.011 20.4809 -201.012 500.65 GPRESSURE: 400400 201.156 -85.7708 -49.1353 -26.4647 -48.3369 -174.572 5.1649 -46.6406 437.415 PRESSAVG: 400400 -22.4397 -12.0907 -17.8281 -12.0907 10.5784 -14.2376 -17.8281 -14.2376 -22.3613 GPRESSAVG: 400400 -22.9411 -12.9295 -17.1523 -10.3871 11.0719 -13.7686 -17.4329 -11.9715 -22.1009 TIMING: 400400 CPU: 1259.8, 0.00320197/step Wall: 1259.8, 0.00320197/step, 4.09106 hours remaining, 235.566406 MB of memory in use. ENERGY: 400400 3951.7375 20373.5295 14464.7189 236.8886 -203389.9977 2873.4487 0.0000 0.0000 52014.1346 -109475.5398 298.9259 -161489.6744 -109116.6607 298.9290 170.1041 196.7446 761354.7090 -11.4075 -11.3234 PRESSURE: 400600 -291.453 -138.039 -148.484 -138.04 87.5604 147.987 -148.484 147.987 308.843 GPRESSURE: 400600 -230.745 -201.975 -212.457 -123.994 88.2585 11.979 -93.5143 118.573 334.237 PRESSAVG: 400600 61.6914 47.9842 -18.3972 47.9841 -32.5857 32.5713 -18.3972 32.5713 10.0951 GPRESSAVG: 400600 60.3215 47.1867 -18.2585 47.8388 -33.4832 32.5423 -17.637 32.4326 11.7471 TIMING: 400600 CPU: 1260.43, 0.00313766/step Wall: 1260.43, 0.00313766/step, 4.00871 hours remaining, 235.566406 MB of memory in use. ENERGY: 400600 4000.9400 20538.8170 14429.2334 250.0501 -203414.3005 2768.0342 0.0000 0.0000 51931.9286 -109495.2973 298.4535 -161427.2259 -109142.9349 299.2902 34.9832 63.9168 762861.7716 13.0669 12.8618 PRESSURE: 400800 -116.391 47.9809 132.185 47.9819 -116.748 13.5984 132.186 13.5979 217.392 GPRESSURE: 400800 -126.954 90.4987 122.218 -28.103 -41.6433 -26.2827 49.8604 144.488 229.377 PRESSAVG: 400800 -37.96 -24.2401 27.5123 -24.2401 15.6906 17.3409 27.5123 17.3409 -6.59144 GPRESSAVG: 400800 -37.7188 -23.3754 28.2187 -24.9171 16.8172 16.8932 25.9013 17.2176 -7.8128 TIMING: 400800 CPU: 1261.06, 0.00315184/step Wall: 1261.06, 0.00315184/step, 4.02665 hours remaining, 235.566406 MB of memory in use. ENERGY: 400800 3945.5925 20442.8244 14508.2525 242.4857 -203269.7638 2565.2732 0.0000 0.0000 52012.1213 -109553.2141 298.9144 -161565.3354 -109193.9042 299.3150 -5.2490 20.2601 762809.5784 -9.6203 -9.5714 PRESSURE: 401000 -202.362 -176.154 180.361 -176.153 -145.228 -231.796 180.361 -231.796 -310.16 GPRESSURE: 401000 -160.698 -47.8612 140.466 -213.359 -99.0687 -88.5813 92.3225 -246.851 -288.743 PRESSAVG: 401000 -40.6337 28.894 17.7291 28.894 43.934 7.88548 17.7291 7.88549 -9.43687 GPRESSAVG: 401000 -38.7518 28.8131 15.4889 29.2917 43.0794 10.0778 20.5063 6.66299 -9.96165 TIMING: 401000 CPU: 1261.69, 0.00314775/step Wall: 1261.69, 0.00314775/step, 4.02126 hours remaining, 235.566406 MB of memory in use. ENERGY: 401000 4053.8429 20388.7234 14461.4631 246.9109 -203620.8232 2616.6884 0.0000 0.0000 52262.0159 -109591.1786 300.3505 -161853.1945 -109233.5941 299.2919 -219.2500 -182.8365 762479.6337 -2.0455 -1.8780 PRESSURE: 401200 116.906 97.5375 -102.814 97.5374 -203.075 -57.6228 -102.814 -57.6222 -182.625 GPRESSURE: 401200 89.554 99.5721 -55.386 -46.5544 -126.817 -10.7455 -64.5623 -130.586 -134.707 PRESSAVG: 401200 7.00483 -12.3586 -6.27612 -12.3586 38.1351 -10.2869 -6.27608 -10.2869 -3.15209 GPRESSAVG: 401200 6.3056 -11.0401 -6.56154 -13.3916 37.8137 -11.706 -8.61903 -8.96586 -1.95653 TIMING: 401200 CPU: 1262.31, 0.00312286/step Wall: 1262.31, 0.00312286/step, 3.98928 hours remaining, 235.566406 MB of memory in use. ENERGY: 401200 4062.2912 20434.4466 14443.1135 247.7028 -202928.0765 2243.5927 0.0000 0.0000 51953.4976 -109543.4321 298.5775 -161496.9297 -109181.7117 299.6255 -89.5980 -57.3231 762187.4780 13.9959 14.0543 PRESSURE: 401400 439.469 35.8376 -27.7047 35.8373 513.616 158.375 -27.7048 158.375 280.834 GPRESSURE: 401400 511.325 -56.9166 32.142 23.55 568.401 118.744 59.6356 197.479 256.072 PRESSAVG: 401400 26.5544 9.21639 28.7733 9.21644 1.03601 48.7055 28.7733 48.7056 -29.3805 GPRESSAVG: 401400 27.0032 7.85517 30.1249 7.18912 2.2609 47.7152 28.554 48.4344 -30.6338 TIMING: 401400 CPU: 1262.94, 0.00313322/step Wall: 1262.94, 0.00313322/step, 4.00234 hours remaining, 235.566406 MB of memory in use. ENERGY: 401400 3930.7516 20496.0704 14412.6635 232.6369 -203198.2293 2691.0199 0.0000 0.0000 51710.4089 -109724.6781 297.1804 -161435.0870 -109362.1937 298.2106 411.3062 445.2658 759999.5246 -0.5967 -0.4566 PRESSURE: 401600 11.6459 95.409 178.291 95.4089 87.5436 174.277 178.291 174.275 86.7559 GPRESSURE: 401600 10.3858 241.393 144.984 117.492 70.087 150.812 120.159 264.082 188.45 PRESSAVG: 401600 -37.8844 33.5905 -8.46933 33.5905 -11.9119 -3.04329 -8.46936 -3.04328 34.1238 GPRESSAVG: 401600 -37.858 34.9477 -9.41993 35.9863 -11.4945 -2.66942 -9.44043 -2.9656 33.4696 TIMING: 401600 CPU: 1263.56, 0.00313279/step Wall: 1263.56, 0.00313279/step, 4.00162 hours remaining, 235.566406 MB of memory in use. ENERGY: 401600 3940.3056 20267.5100 14406.5349 239.2773 -203096.2478 2254.1563 0.0000 0.0000 52157.7703 -109830.6933 299.7514 -161988.4637 -109461.4102 298.6060 61.9818 89.6410 760373.5760 -5.2242 -5.2943 PRESSURE: 401800 -96.8964 152.278 124.537 152.278 -159.417 70.5987 124.538 70.5988 212.737 GPRESSURE: 401800 -25.0252 151.917 96.2624 48.6344 -79.4648 179.129 86.3559 38.0656 152.517 PRESSAVG: 401800 3.8247 44.617 25.9036 44.6169 10.7632 32.8091 25.9036 32.809 7.63995 GPRESSAVG: 401800 3.64908 44.9526 25.2885 42.6044 10.1465 31.7777 26.8972 32.6828 9.02525 TIMING: 401800 CPU: 1264.19, 0.00314323/step Wall: 1264.19, 0.00314323/step, 4.01478 hours remaining, 235.566406 MB of memory in use. ENERGY: 401800 3886.4073 20387.5490 14440.8911 243.6934 -203452.8339 2559.8822 0.0000 0.0000 51862.7185 -110071.6925 298.0558 -161934.4110 -109701.7522 298.3798 -14.5256 16.0089 761984.7574 7.4093 7.6069 PRESSURE: 402000 450.766 -84.9346 -76.1523 -84.9341 54.9055 45.0885 -76.1519 45.0879 171.913 GPRESSURE: 402000 405.643 -65.4908 -87.8678 -82.0218 124.546 48.9933 -55.9657 67.3819 218.874 PRESSAVG: 402000 4.82396 17.2361 31.933 17.2361 -24.8224 68.4393 31.933 68.4393 3.18996 GPRESSAVG: 402000 4.00532 16.4315 32.5485 18.7684 -24.1651 67.7383 30.688 68.8833 3.57304 TIMING: 402000 CPU: 1264.82, 0.00313835/step Wall: 1264.82, 0.00313835/step, 4.00837 hours remaining, 235.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 4020.5980 20420.7657 14490.9288 245.4437 -203758.8171 2992.0661 0.0000 0.0000 51693.1341 -109895.8809 297.0812 -161589.0150 -109544.5556 298.0471 225.8614 249.6877 761582.0525 -5.6028 -5.5289 PRESSURE: 402200 116.16 -10.931 -206.527 -10.9314 -367.411 96.8105 -206.527 96.8106 -120.756 GPRESSURE: 402200 76.5381 -54.2984 -196.105 56.4058 -350.798 114.276 -35.3578 154.463 -18.0159 PRESSAVG: 402200 -11.3244 48.1437 74.9387 48.1437 -4.81377 -27.7935 74.9386 -27.7935 5.18792 GPRESSAVG: 402200 -11.823 47.9537 75.9201 49.2768 -5.47089 -27.6812 75.7074 -25.8715 6.35752 TIMING: 402200 CPU: 1265.45, 0.00314323/step Wall: 1265.45, 0.00314323/step, 4.01443 hours remaining, 235.566406 MB of memory in use. ENERGY: 402200 3960.2135 20499.4078 14490.6802 227.9645 -203682.4273 2722.3920 0.0000 0.0000 51781.4627 -110000.3067 297.5888 -161781.7694 -109649.2815 298.0858 -124.0023 -97.4255 762628.3427 -3.6501 -3.6455 PRESSURE: 402400 -283.919 -283.105 173.061 -283.105 -139.524 -91.4361 173.061 -91.4367 -657.805 GPRESSURE: 402400 -247.056 -172.667 206.748 -266.911 -6.4399 -137.053 1.75539 22.7072 -743.048 PRESSAVG: 402400 12.8704 -20.8898 31.2095 -20.8897 -17.9319 29.5282 31.2095 29.5282 -6.89412 GPRESSAVG: 402400 13.2548 -20.1757 31.0482 -22.9211 -16.9445 31.1741 32.1838 26.7221 -9.0239 TIMING: 402400 CPU: 1266.08, 0.00313301/step Wall: 1266.08, 0.00313301/step, 4.0012 hours remaining, 235.566406 MB of memory in use. ENERGY: 402400 4059.2882 20411.9040 14451.8866 235.1812 -203600.7217 2632.2913 0.0000 0.0000 51788.2155 -110021.9549 297.6276 -161810.1704 -109653.7137 297.7293 -360.4160 -332.1813 760262.1482 -3.9852 -4.2379 PRESSURE: 402600 -173.381 36.2739 -82.6607 36.2741 -402.323 92.3384 -82.6601 92.3379 -62.5792 GPRESSURE: 402600 -116.988 -17.3155 8.62988 37.9694 -350.579 122.945 -234.91 116.919 -94.8108 PRESSAVG: 402600 10.5698 31.0249 -22.8299 31.0249 -0.690802 -2.28785 -22.8299 -2.28779 -5.65202 GPRESSAVG: 402600 9.50386 31.2456 -23.6659 31.9673 -1.1511 -1.93359 -24.632 -0.779108 -3.86066 TIMING: 402600 CPU: 1266.7, 0.00312894/step Wall: 1266.7, 0.00312894/step, 3.99583 hours remaining, 235.566406 MB of memory in use. ENERGY: 402600 4049.2614 20509.3813 14406.4456 242.1849 -203817.1186 2793.7619 0.0000 0.0000 51698.7839 -110117.2996 297.1136 -161816.0835 -109764.0780 297.9386 -212.7612 -187.4593 761411.0026 1.4090 1.4974 PRESSURE: 402800 -132.824 -138.345 -290.908 -138.347 -131.279 128.654 -290.907 128.654 52.8559 GPRESSURE: 402800 -1.42912 -88.0212 -239.208 -54.1742 -164.885 3.94145 -242.631 55.7275 23.6311 PRESSAVG: 402800 -25.8003 -51.1441 16.1539 -51.1441 18.1297 -45.0538 16.1539 -45.0538 -17.1829 GPRESSAVG: 402800 -23.5999 -49.3998 15.474 -52.4757 17.7997 -47.8427 15.4141 -45.3492 -18.927 TIMING: 402800 CPU: 1267.32, 0.00311409/step Wall: 1267.32, 0.00311409/step, 3.9767 hours remaining, 235.566406 MB of memory in use. ENERGY: 402800 3934.1188 20520.6071 14379.6855 239.7686 -203611.8039 2445.1561 0.0000 0.0000 52015.2944 -110077.1735 298.9326 -162092.4678 -109717.0289 297.9787 -70.4158 -47.5609 759887.2685 -8.2845 -8.2424 PRESSURE: 403000 -234.416 -233.626 -97.2774 -233.627 -212.511 -95.965 -97.2788 -95.9651 76.5707 GPRESSURE: 403000 -107.358 -311.134 -103.359 -164.944 -275.712 -10.0763 -39.9504 -210.448 80.2511 PRESSAVG: 403000 51.8452 -30.8239 -2.42643 -30.8239 -54.147 -35.6268 -2.42642 -35.6267 5.50183 GPRESSAVG: 403000 51.872 -34.104 -1.86562 -28.9716 -54.9604 -35.2589 -0.33627 -34.6687 6.07151 TIMING: 403000 CPU: 1267.95, 0.00313978/step Wall: 1267.95, 0.00313978/step, 4.00933 hours remaining, 235.566406 MB of memory in use. ENERGY: 403000 3959.3161 20468.7521 14387.5310 245.5675 -203372.4797 2394.9001 0.0000 0.0000 51720.0260 -110196.3868 297.2357 -161916.4129 -109833.8914 297.7322 -123.4519 -100.9396 760862.7935 1.0667 0.9944 PRESSURE: 403200 32.549 -23.346 -91.1565 -23.3468 177.542 -174.763 -91.1563 -174.763 -197.937 GPRESSURE: 403200 -23.1566 -81.5658 -99.8961 -55.285 195.57 -176.564 -19.5275 -182.127 -73.0956 PRESSAVG: 403200 -6.78885 -28.2724 22.2185 -28.2724 -0.459714 7.36901 22.2185 7.36903 -2.35909 GPRESSAVG: 403200 -7.56731 -27.1866 22.6284 -29.9213 -0.320508 8.94823 23.8392 6.51424 -1.73756 TIMING: 403200 CPU: 1268.58, 0.00314592/step Wall: 1268.58, 0.00314592/step, 4.01699 hours remaining, 235.566406 MB of memory in use. ENERGY: 403200 3962.0141 20424.8244 14473.4993 264.8179 -203609.6705 2514.1346 0.0000 0.0000 51898.4827 -110071.8974 298.2613 -161970.3802 -109711.3205 297.6393 4.0513 33.1059 758346.2990 -3.2026 -3.2085 PRESSURE: 403400 60.7758 96.6247 0.596395 96.6248 -316.327 -56.2219 0.595787 -56.2222 -72.6365 GPRESSURE: 403400 65.3015 41.3538 -25.7517 103.839 -175.183 12.6664 -111.475 -77.1756 -121.08 PRESSAVG: 403400 -12.6689 -5.21948 35.5657 -5.21944 37.5984 9.45346 35.5657 9.45346 -2.46183 GPRESSAVG: 403400 -12.6759 -5.21962 35.1958 -3.51849 39.1874 9.78723 34.1339 8.16611 -4.21294 TIMING: 403400 CPU: 1269.21, 0.00314402/step Wall: 1269.21, 0.00314402/step, 4.01439 hours remaining, 235.566406 MB of memory in use. ENERGY: 403400 3906.9952 20538.5455 14469.6567 239.9760 -203376.7078 2358.1713 0.0000 0.0000 51608.3200 -110255.0431 296.5937 -161863.3631 -109910.9167 298.0826 -109.3958 -76.9872 760028.6077 7.4892 7.4328 PRESSURE: 403600 78.4485 -30.9878 314.276 -30.988 132.919 44.4782 314.277 44.4786 48.2471 GPRESSURE: 403600 84.6227 70.848 247.351 -185.256 200.896 89.1612 260.088 -29.3959 55.7041 PRESSAVG: 403600 -52.6845 -17.0318 19.1555 -17.0319 73.4864 8.21257 19.1554 8.21261 13.9747 GPRESSAVG: 403600 -53.0853 -16.8061 19.2214 -20.8998 72.3543 7.43836 18.539 8.68333 15.6558 TIMING: 403600 CPU: 1269.84, 0.00314805/step Wall: 1269.84, 0.00314805/step, 4.01936 hours remaining, 235.566406 MB of memory in use. ENERGY: 403600 3986.5136 20306.4390 14416.9053 243.4772 -204005.6171 2782.3952 0.0000 0.0000 51943.9660 -110325.9208 298.5227 -162269.8868 -109965.7303 297.3341 86.5382 113.7408 759395.0869 11.5922 11.6416 PRESSURE: 403800 -272.213 -130.392 -143.642 -130.392 -128.755 -24.2849 -143.642 -24.2851 -51.6429 GPRESSURE: 403800 -227.528 -247.41 -144.112 -73.6272 -36.2093 25.1106 -71.433 -32.6901 -107.041 PRESSAVG: 403800 -0.377927 41.9152 18.1169 41.9153 9.01547 13.9284 18.1169 13.9284 -13.8351 GPRESSAVG: 403800 -0.936771 41.1847 19.1724 44.4176 10.3267 13.4979 18.2382 15.3385 -14.1358 TIMING: 403800 CPU: 1270.47, 0.00315308/step Wall: 1270.47, 0.00315308/step, 4.02561 hours remaining, 235.566406 MB of memory in use. ENERGY: 403800 3862.8409 20438.4204 14408.8508 253.8103 -203269.5997 2466.3570 0.0000 0.0000 51455.5889 -110383.7315 295.7160 -161839.3204 -110026.2899 297.4491 -150.8700 -123.5928 760979.0156 -1.7325 -1.5820 PRESSURE: 404000 363.257 -111.49 23.6918 -111.489 95.0736 3.62464 23.6919 3.62396 160.521 GPRESSURE: 404000 395.628 5.48987 -1.85376 10.2233 103.749 68.4594 -169.164 -33.2265 194.166 PRESSAVG: 404000 -35.0851 -4.40929 -6.60452 -4.40931 31.2024 -12.8069 -6.60449 -12.8069 -30.8003 GPRESSAVG: 404000 -33.6792 -3.57917 -6.95191 -2.80895 29.6448 -11.7186 -8.25281 -13.0585 -30.7892 TIMING: 404000 CPU: 1271.1, 0.00315888/step Wall: 1271.1, 0.00315888/step, 4.03284 hours remaining, 235.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 3980.4200 20521.5940 14402.8658 236.6039 -203515.4935 2617.9970 0.0000 0.0000 51717.9476 -110038.0653 297.2238 -161756.0128 -109676.1628 297.5194 206.2837 231.1810 761077.4220 -11.5610 -11.6079 PRESSURE: 404200 -166.395 42.6864 -56.8406 42.6872 -14.5425 -39.8367 -56.8405 -39.8371 -240.382 GPRESSURE: 404200 -116.406 41.4641 -72.4462 26.5719 -67.4694 -82.7681 -40.0607 -78.7372 -164.114 PRESSAVG: 404200 -34.5637 -0.450027 -70.1719 -0.449987 16.2174 38.5838 -70.1718 38.5838 -11.2528 GPRESSAVG: 404200 -35.6981 -0.467815 -69.7528 -1.94435 16.4458 36.134 -68.2511 40.9138 -10.659 TIMING: 404200 CPU: 1271.73, 0.00313589/step Wall: 1271.73, 0.00313589/step, 4.00332 hours remaining, 235.566406 MB of memory in use. ENERGY: 404200 3948.6813 20559.9186 14441.1148 265.6710 -203561.4795 2628.7406 0.0000 0.0000 51824.6592 -109892.6940 297.8370 -161717.3532 -109542.3748 298.0439 -140.4396 -115.9966 761880.2686 -9.8664 -9.9704 LDB: ============= START OF LOAD BALANCING ============== 1284.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1284.18 LDB: =============== DONE WITH MIGRATION ================ 1284.18 LDB: ============= START OF LOAD BALANCING ============== 1284.5 LDB: Largest compute 7026 load 0.035481 is 18.2% of average load 0.195005 LDB: Average compute 0.004406 is 2.3% of average load 0.195005 LDB: TIME 1284.5 LOAD: AVG 0.195005 MAX 0.210994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1284.5 LOAD: AVG 0.195005 MAX 0.210994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 1284.5 LOAD: AVG 0.195005 MAX 0.210994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 1284.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1284.51 PRESSURE: 404400 -90.9986 170.401 24.2679 170.401 -330.467 -37.1484 24.2677 -37.1488 -319.511 GPRESSURE: 404400 -136.072 131.395 15.1229 111.115 -277.696 41.9482 92.0011 13.4888 -239.799 PRESSAVG: 404400 -2.58516 -66.0011 2.94076 -66.0011 72.6127 -18.3264 2.94075 -18.3264 4.96252 GPRESSAVG: 404400 -3.26978 -66.5362 1.9992 -64.5579 74.3652 -18.4884 2.9539 -21.1001 4.06407 TIMING: 404400 CPU: 1272.38, 0.00322916/step Wall: 1272.38, 0.00322916/step, 4.1222 hours remaining, 235.253906 MB of memory in use. ENERGY: 404400 4003.8207 20579.0727 14485.8119 228.6751 -203632.6848 2444.1594 0.0000 0.0000 52004.3950 -109886.7500 298.8700 -161891.1450 -109527.3228 298.0044 -246.9920 -217.8556 759608.4059 24.9967 25.0532 PRESSURE: 404600 -141.518 -207.889 100.269 -207.889 71.8368 7.40005 100.268 7.40073 221.76 GPRESSURE: 404600 -1.80372 -235.657 139.232 -212.929 71.3986 6.38103 225.547 139.293 185.648 PRESSAVG: 404600 10.4601 -8.30954 12.6581 -8.30958 -29.9045 23.2695 12.6581 23.2695 -28.5095 GPRESSAVG: 404600 12.1067 -9.83077 13.3804 -9.20363 -31.0977 24.7281 11.3873 22.8466 -28.6669 TIMING: 404600 CPU: 1273.01, 0.00316325/step Wall: 1273.01, 0.00316325/step, 4.03789 hours remaining, 235.253906 MB of memory in use. ENERGY: 404600 3934.3404 20446.7017 14428.2753 250.4901 -203472.5574 2548.2656 0.0000 0.0000 52053.8262 -109810.6579 299.1541 -161864.4842 -109452.9988 298.1625 50.6931 85.0809 761016.8004 -15.9846 -15.8859 PRESSURE: 404800 113.89 -229.821 -117.033 -229.82 -57.4098 134.863 -117.034 134.863 -273.594 GPRESSURE: 404800 53.0361 -264.558 -118.052 -129.037 -20.4517 126.595 -164.658 75.0353 -155.321 PRESSAVG: 404800 23.8911 -26.2435 72.5081 -26.2434 18.5498 -14.5256 72.508 -14.5256 13.3066 GPRESSAVG: 404800 23.3318 -27.1035 70.9101 -26.2895 19.5604 -14.3334 75.2076 -14.2684 12.3804 TIMING: 404800 CPU: 1273.63, 0.00312467/step Wall: 1273.63, 0.00312467/step, 3.98846 hours remaining, 235.253906 MB of memory in use. ENERGY: 404800 3925.6529 20575.3795 14388.1011 264.1816 -203606.3426 2799.9439 0.0000 0.0000 51858.6075 -109794.4763 298.0321 -161653.0838 -109424.2146 298.5278 -72.3714 -40.9121 761745.2456 18.5825 18.4242 PRESSURE: 405000 -242.107 -69.7802 -341.284 -69.7802 40.9835 135.71 -341.284 135.71 193.122 GPRESSURE: 405000 -301.017 -93.3122 -439.935 -65.1712 126.57 158.013 -304.705 144.543 238.895 PRESSAVG: 405000 43.0193 -17.7685 21.788 -17.7685 2.52364 22.7113 21.788 22.7112 -15.1289 GPRESSAVG: 405000 42.0664 -16.0514 22.9659 -17.4625 1.6585 22.1529 19.6137 22.7506 -13.4727 TIMING: 405000 CPU: 1274.26, 0.00312563/step Wall: 1274.26, 0.00312563/step, 3.98951 hours remaining, 235.253906 MB of memory in use. ENERGY: 405000 3957.1751 20522.6362 14470.5147 244.7005 -203357.5902 2479.9691 0.0000 0.0000 51770.4734 -109912.1212 297.5256 -161682.5946 -109555.0229 298.0829 -2.6672 21.4829 759510.2870 10.1380 10.0841 PRESSURE: 405200 218.695 -93.5723 164.476 -93.5709 318.047 245.431 164.477 245.43 114.55 GPRESSURE: 405200 306.586 -63.4795 116.383 -124.821 239.165 260.653 266.979 37.8712 186.552 PRESSAVG: 405200 15.6378 19.6433 60.0109 19.6433 -23.9635 72.2133 60.0109 72.2132 8.95552 GPRESSAVG: 405200 16.7312 20.726 58.7657 18.8289 -23.2177 72.3276 60.451 73.1071 7.43403 TIMING: 405200 CPU: 1274.89, 0.00315435/step Wall: 1274.89, 0.00315435/step, 4.026 hours remaining, 235.253906 MB of memory in use. ENERGY: 405200 3944.2710 20462.6342 14421.2240 228.8030 -203578.2604 2620.4355 0.0000 0.0000 52080.0285 -109820.8642 299.3046 -161900.8927 -109462.8026 298.1333 217.0975 244.1010 759864.0852 0.2100 0.3159 PRESSURE: 405400 -140.587 34.5952 193.804 34.5957 187.617 154.293 193.804 154.293 15.72 GPRESSURE: 405400 -136.484 -40.6358 185.805 -36.4907 233.815 192.227 177.279 68.1566 56.0646 PRESSAVG: 405400 6.04194 -3.69589 26.5322 -3.69589 15.2053 8.78005 26.5321 8.77999 -7.21681 GPRESSAVG: 405400 6.12839 -4.05252 26.1924 -2.93924 13.907 9.13934 27.1675 4.45197 -5.88159 TIMING: 405400 CPU: 1275.52, 0.00316726/step Wall: 1275.52, 0.00316726/step, 4.0423 hours remaining, 235.253906 MB of memory in use. ENERGY: 405400 4001.0119 20505.7939 14498.6038 270.3831 -203269.5619 2495.2258 0.0000 0.0000 51711.1632 -109787.3803 297.1848 -161498.5434 -109424.1851 298.3704 20.9167 51.1317 758300.0787 4.6768 4.7179 PRESSURE: 405600 430.757 -4.80723 32.9824 -4.80685 69.1687 162.32 32.9826 162.32 428.395 GPRESSURE: 405600 441.706 82.6413 91.3307 5.45131 148.417 229.309 76.222 234.843 442.078 PRESSAVG: 405600 45.4493 -30.677 52.3885 -30.6771 -71.09 70.6737 52.3885 70.6737 10.7672 GPRESSAVG: 405600 44.3829 -30.6555 53.2606 -30.3205 -69.2131 71.0673 53.1837 73.7536 10.2812 TIMING: 405600 CPU: 1276.15, 0.0031297/step Wall: 1276.15, 0.0031297/step, 3.99419 hours remaining, 235.253906 MB of memory in use. ENERGY: 405600 3911.8381 20575.9296 14449.3254 234.1169 -203949.9358 3032.6226 0.0000 0.0000 51971.7533 -109774.3500 298.6824 -161746.1033 -109404.5899 298.5937 309.4401 344.0666 758541.1994 -4.9578 -4.8497 PRESSURE: 405800 -11.7478 12.3984 -10.7842 12.3995 306.789 109.148 -10.784 109.147 -43.2254 GPRESSURE: 405800 33.4822 -49.2932 -101.766 48.1297 277.355 54.8071 -13.3136 142.059 34.9423 PRESSAVG: 405800 6.53529 -33.8532 59.4605 -33.8532 6.96708 -21.3687 59.4605 -21.3687 -31.9953 GPRESSAVG: 405800 6.75713 -35.3764 59.8832 -33.2796 6.59171 -22.885 57.3031 -20.0495 -31.5081 TIMING: 405800 CPU: 1276.78, 0.00314073/step Wall: 1276.78, 0.00314073/step, 4.00809 hours remaining, 235.253906 MB of memory in use. ENERGY: 405800 3964.4675 20621.0812 14404.6739 235.4010 -203070.6809 2476.6754 0.0000 0.0000 51756.6849 -109611.6969 297.4464 -161368.3818 -109250.4251 298.5170 83.9385 115.2600 761459.3724 -6.1643 -6.0531 PRESSURE: 406000 174.719 -185.801 -110.493 -185.8 104.962 -85.5167 -110.494 -85.5171 38.1166 GPRESSURE: 406000 178.226 -181.828 -79.3409 -186.179 115.52 -186.039 93.0769 -42.7859 93.8884 PRESSAVG: 406000 -18.6553 -84.0256 -3.52833 -84.0256 14.74 36.2778 -3.52834 36.2777 -6.79827 GPRESSAVG: 406000 -18.6654 -83.8194 -3.39388 -84.2114 14.1032 39.0425 -3.21812 35.2737 -6.15993 TIMING: 406000 CPU: 1277.4, 0.00312669/step Wall: 1277.4, 0.00312669/step, 3.99 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 406000 3968.5196 20568.8211 14496.7922 249.5423 -203866.8312 2907.0011 0.0000 0.0000 51865.1140 -109811.0410 298.0695 -161676.1550 -109448.3282 298.5152 105.9324 129.2114 761603.5391 -3.5712 -3.5740 PRESSURE: 406200 -296.633 135.557 23.2064 135.558 -225.485 25.98 23.2065 25.9808 -267.153 GPRESSURE: 406200 -212.721 138.624 62.5397 132.879 -197.603 4.58545 -18.0777 86.2159 -294.909 PRESSAVG: 406200 -31.6498 -0.819801 -7.73639 -0.819769 30.2029 11.9528 -7.73636 11.9528 1.72682 GPRESSAVG: 406200 -30.9136 -0.263983 -8.39399 -0.677704 30.2293 9.51219 -6.82919 11.6646 1.15122 TIMING: 406200 CPU: 1278.03, 0.00313589/step Wall: 1278.03, 0.00313589/step, 4.00157 hours remaining, 235.253906 MB of memory in use. ENERGY: 406200 3908.9561 20424.3525 14493.0948 251.1595 -203239.6871 2424.3114 0.0000 0.0000 51884.3495 -109853.4633 298.1801 -161737.8128 -109484.6932 298.4735 -263.0902 -235.0776 762354.6768 0.0933 0.1557 PRESSURE: 406400 -44.023 -41.7133 119.28 -41.7132 118.76 -253.783 119.279 -253.783 176.987 GPRESSURE: 406400 41.8535 -48.8425 169.595 -56.4007 168.819 -253.829 66.8459 -268.827 126.427 PRESSAVG: 406400 -26.1524 -76.8829 1.56421 -76.8828 19.6391 1.07304 1.5642 1.07306 7.71452 GPRESSAVG: 406400 -26.9138 -77.1826 2.66436 -77.4818 21.2472 1.52512 -0.954016 -0.4347 6.66455 TIMING: 406400 CPU: 1278.66, 0.00315749/step Wall: 1278.66, 0.00315749/step, 4.02896 hours remaining, 235.253906 MB of memory in use. ENERGY: 406400 3912.1189 20386.0033 14494.9882 247.1361 -203340.5268 2556.1008 0.0000 0.0000 52051.3417 -109692.8379 299.1398 -161744.1796 -109318.0534 298.9732 83.9081 112.3664 760188.7195 0.4004 0.3327 PRESSURE: 406600 -330.8 -57.8945 119.689 -57.8946 -139.147 -307.824 119.689 -307.824 141.29 GPRESSURE: 406600 -185.929 -31.9735 29.8531 -87.1145 -170.116 -255.002 122.292 -282.837 94.6451 PRESSAVG: 406600 -16.3598 -52.8689 53.7988 -52.8689 38.0968 -20.6138 53.7988 -20.6139 6.46597 GPRESSAVG: 406600 -16.6221 -54.0509 52.086 -52.4975 36.5838 -19.628 57.1665 -18.0073 8.39117 TIMING: 406600 CPU: 1279.29, 0.00314233/step Wall: 1279.29, 0.00314233/step, 4.00944 hours remaining, 235.253906 MB of memory in use. ENERGY: 406600 3921.3814 20369.2995 14484.7078 245.5269 -203350.1504 2646.5824 0.0000 0.0000 51907.8419 -109774.8105 298.3151 -161682.6524 -109413.9171 298.4205 -109.5520 -87.1333 763152.9696 9.4010 9.4510 PRESSURE: 406800 251.941 -49.2233 -232.843 -49.2231 5.11096 87.763 -232.843 87.7653 151.591 GPRESSURE: 406800 290.492 -50.2643 -292.089 168.684 117.083 91.2238 -177.238 68.4604 89.3601 PRESSAVG: 406800 42.4101 -20.9843 -42.2643 -20.9843 -54.124 -15.3612 -42.2643 -15.3612 1.30716 GPRESSAVG: 406800 42.3774 -18.4011 -42.3462 -21.0359 -53.6934 -15.5558 -43.5114 -15.059 0.816708 TIMING: 406800 CPU: 1279.92, 0.00314129/step Wall: 1279.92, 0.00314129/step, 4.00794 hours remaining, 235.253906 MB of memory in use. ENERGY: 406800 4032.2659 20462.9627 14473.4341 256.5509 -203652.6427 2675.2566 0.0000 0.0000 52006.9601 -109745.2124 298.8847 -161752.1725 -109385.5141 298.2610 136.2143 165.6450 761287.1333 -3.4689 -3.4998 PRESSURE: 407000 -245.86 219.98 119.589 219.979 -256.548 -34.6941 119.588 -34.6945 -88.2275 GPRESSURE: 407000 -133.181 171.805 90.4851 143.263 -307.708 -36.0661 142.718 -57.1253 -63.8127 PRESSAVG: 407000 34.5634 -18.9675 -52.699 -18.9675 -15.0117 -25.4447 -52.6989 -25.4447 18.0191 GPRESSAVG: 407000 34.7288 -18.0432 -52.4438 -18.585 -14.2359 -25.9908 -52.0686 -26.6703 17.276 TIMING: 407000 CPU: 1280.55, 0.00314273/step Wall: 1280.55, 0.00314273/step, 4.0096 hours remaining, 235.253906 MB of memory in use. ENERGY: 407000 4024.3682 20360.7752 14441.8161 250.6090 -203103.5290 2467.1834 0.0000 0.0000 51943.2493 -109615.5279 298.5186 -161558.7772 -109255.1663 298.3363 -196.8785 -168.2339 762429.7804 12.5236 12.5897 PRESSURE: 407200 63.2178 79.317 298.679 79.3162 -69.7682 -259.687 298.679 -259.688 30.6279 GPRESSURE: 407200 159.51 5.21541 193.239 83.1233 -64.6164 -210.845 232.748 -164.484 10.223 PRESSAVG: 407200 9.97863 60.8551 -58.2671 60.8551 -29.0751 -18.4716 -58.2671 -18.4716 -21.8963 GPRESSAVG: 407200 11.1053 58.083 -56.4915 60.1309 -29.9292 -20.3468 -61.0106 -17.5242 -21.7283 TIMING: 407200 CPU: 1281.17, 0.00314128/step Wall: 1281.17, 0.00314128/step, 4.00758 hours remaining, 235.253906 MB of memory in use. ENERGY: 407200 3935.3686 20629.4582 14422.4867 268.2771 -203349.9383 2508.7343 0.0000 0.0000 51971.6911 -109613.9223 298.6820 -161585.6134 -109259.9710 298.5721 8.0258 35.0390 759392.3335 -13.6642 -13.5174 PRESSURE: 407400 154.251 88.639 -91.2866 88.6385 -46.7856 -339.857 -91.2865 -339.856 217.486 GPRESSURE: 407400 272.017 82.101 -155.115 58.1055 -27.0329 -311.489 -221.575 -328.458 157.911 PRESSAVG: 407400 47.781 32.0273 14.1819 32.0273 19.1066 1.68896 14.1819 1.68888 5.40615 GPRESSAVG: 407400 47.4599 33.9394 14.0559 33.1088 18.4783 2.30253 13.7304 2.56033 6.1539 TIMING: 407400 CPU: 1281.81, 0.00317321/step Wall: 1281.81, 0.00317321/step, 4.04813 hours remaining, 235.253906 MB of memory in use. ENERGY: 407400 3913.9079 20612.7697 14555.1591 238.3549 -203294.1826 2569.9723 0.0000 0.0000 51911.2205 -109492.7981 298.3345 -161404.0186 -109134.1638 299.1148 108.3173 134.2984 759353.2305 24.0979 24.0307 PRESSURE: 407600 20.8842 -144.514 -322.024 -144.513 -195.535 -167.352 -322.025 -167.352 417.871 GPRESSURE: 407600 30.6351 -206.868 -285.896 -119.854 -97.1646 -178.474 -259.913 -207.966 406.949 PRESSAVG: 407600 -8.63964 11.6338 -42.4511 11.6338 -55.2064 -29.2577 -42.4511 -29.2578 23.9094 GPRESSAVG: 407600 -10.1266 11.1569 -44.1431 10.4248 -53.8178 -29.1532 -41.445 -32.3554 24.4487 TIMING: 407600 CPU: 1282.44, 0.00315732/step Wall: 1282.44, 0.00315732/step, 4.02769 hours remaining, 235.253906 MB of memory in use. ENERGY: 407600 3971.9802 20548.7222 14493.7221 247.7747 -203165.6715 2434.9858 0.0000 0.0000 52064.7043 -109403.7822 299.2166 -161468.4865 -109042.1520 299.0870 81.0735 113.4733 760402.5244 -13.3122 -13.1652 PRESSURE: 407800 216.214 -131.489 -44.792 -131.489 108.886 214.339 -44.7918 214.339 -30.0692 GPRESSURE: 407800 256.787 -62.6996 -141.369 -185.922 121.29 245.215 -37.8464 149.669 -3.26322 PRESSAVG: 407800 62.4672 -6.35305 4.07016 -6.35306 -18.115 53.4611 4.07011 53.4611 -25.7061 GPRESSAVG: 407800 62.4682 -5.10914 5.0039 -6.88023 -18.363 53.4968 4.96942 54.9084 -26.2465 TIMING: 407800 CPU: 1283.07, 0.0031351/step Wall: 1283.07, 0.0031351/step, 3.99917 hours remaining, 235.253906 MB of memory in use. ENERGY: 407800 3913.5987 20456.8130 14448.5247 254.9728 -203053.9731 2433.1259 0.0000 0.0000 51970.1791 -109576.7588 298.6733 -161546.9380 -109230.7511 299.2117 98.3435 124.9380 762688.3753 6.2154 5.9529 PRESSURE: 408000 -45.9975 -231.846 -159.56 -231.846 -49.4892 -96 -159.56 -96.0006 22.5718 GPRESSURE: 408000 -118.395 -150.413 -148.034 -268.139 -15.9475 -66.7819 -101.486 -96.0787 108.894 PRESSAVG: 408000 -18.9878 37.5832 -11.5678 37.5832 -14.7291 -28.23 -11.5678 -28.23 4.74233 GPRESSAVG: 408000 -19.3261 38.2136 -11.6109 37.9329 -14.7514 -28.0211 -11.2879 -27.7411 5.55686 TIMING: 408000 CPU: 1283.7, 0.00314831/step Wall: 1283.7, 0.00314831/step, 4.01585 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 408000 3996.0828 20340.0613 14464.2955 246.7996 -203256.2998 2557.5415 0.0000 0.0000 52182.4622 -109469.0569 299.8933 -161651.5191 -109104.9006 298.6776 -24.3050 -8.4828 761633.5551 -9.6582 -9.5069 PRESSURE: 408200 -121.229 -144.757 15.0978 -144.756 -5.16434 82.1478 15.0983 82.1484 -12.0587 GPRESSURE: 408200 -78.2311 -20.9688 46.2725 -85.9513 28.8743 62.1686 92.568 99.9916 -11.8114 PRESSAVG: 408200 13.0413 -15.3147 49.2503 -15.3147 -17.5327 -33.6176 49.2503 -33.6176 20.2574 GPRESSAVG: 408200 15.0947 -16.6061 51.4683 -14.9734 -17.5681 -32.1363 46.8931 -34.6268 18.7972 TIMING: 408200 CPU: 1284.33, 0.00315664/step Wall: 1284.33, 0.00315664/step, 4.0263 hours remaining, 235.253906 MB of memory in use. ENERGY: 408200 3924.8360 20609.3197 14456.6373 235.9511 -202898.3870 2291.0538 0.0000 0.0000 51978.2525 -109402.3366 298.7197 -161380.5890 -109044.6016 299.3110 -46.1506 -20.3894 761379.8007 5.2553 5.4413 LDB: ============= START OF LOAD BALANCING ============== 1296.78 LDB: ============== END OF LOAD BALANCING =============== 1296.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1296.78 LDB: ============= START OF LOAD BALANCING ============== 1297.1 LDB: Largest compute 7026 load 0.034665 is 17.8% of average load 0.194990 LDB: Average compute 0.004382 is 2.2% of average load 0.194990 LDB: TIME 1297.1 LOAD: AVG 0.19499 MAX 0.214284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.793 MB LDB: TIME 1297.1 LOAD: AVG 0.19499 MAX 0.214284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 1297.1 LOAD: AVG 0.19499 MAX 0.214284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 1297.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1297.11 PRESSURE: 408400 -162.41 140.677 95.5008 140.678 7.42161 -166.785 95.4998 -166.784 362.448 GPRESSURE: 408400 -89.2775 70.2921 129.871 130.85 40.4593 -162.236 145.309 -303.535 351.854 PRESSAVG: 408400 -18.0927 -37.0812 -4.13624 -37.0812 58.9358 23.2863 -4.13621 23.2862 -9.90219 GPRESSAVG: 408400 -18.0928 -37.865 -6.68674 -38.0023 57.6527 23.6613 -3.16637 23.5777 -8.48223 TIMING: 408400 CPU: 1284.97, 0.00322612/step Wall: 1284.97, 0.00322612/step, 4.11474 hours remaining, 235.562500 MB of memory in use. ENERGY: 408400 3931.8687 20437.0710 14435.9014 276.1862 -203133.3136 2658.0761 0.0000 0.0000 51877.7729 -109516.4373 298.1423 -161394.2102 -109147.6141 299.2135 69.1532 101.0119 762223.3677 10.3136 10.3592 PRESSURE: 408600 -139.021 22.8565 -176.596 22.8554 -220.706 249.493 -176.596 249.493 -222.535 GPRESSURE: 408600 -16.462 8.82896 -145.55 -17.1169 -250.271 204.005 -140.232 270.221 -236.58 PRESSAVG: 408600 23.4608 -54.5535 5.23211 -54.5535 -0.791453 15.6533 5.23221 15.6532 -9.70772 GPRESSAVG: 408600 22.326 -53.9281 4.10469 -54.1776 0.261182 14.6459 5.4695 14.0642 -9.75492 TIMING: 408600 CPU: 1285.6, 0.00315058/step Wall: 1285.6, 0.00315058/step, 4.01821 hours remaining, 235.562500 MB of memory in use. ENERGY: 408600 4007.3967 20578.1449 14530.8311 256.6059 -203962.5173 3075.5148 0.0000 0.0000 52148.9018 -109365.1221 299.7005 -161514.0239 -109016.4488 299.4097 -194.0870 -167.7707 763004.1333 4.3205 4.2774 PRESSURE: 408800 -84.6686 119.478 224.015 119.479 165.417 48.349 224.014 48.3493 149.481 GPRESSURE: 408800 35.866 158.223 331.367 110.005 165.727 24.1409 214.679 86.1532 108.782 PRESSAVG: 408800 -24.8759 -26.8785 -23.6651 -26.8785 5.08929 -14.8561 -23.6651 -14.8561 14.7823 GPRESSAVG: 408800 -23.5394 -26.0719 -23.9698 -26.7626 3.44758 -16.532 -20.3778 -11.4486 14.9562 TIMING: 408800 CPU: 1286.23, 0.00314845/step Wall: 1286.23, 0.00314845/step, 4.01532 hours remaining, 235.562500 MB of memory in use. ENERGY: 408800 4044.3722 20429.3588 14519.5051 225.1312 -203454.6128 2795.5946 0.0000 0.0000 52006.2345 -109434.4164 298.8805 -161440.6509 -109066.2414 299.1527 76.7429 103.4585 763194.2648 -1.6681 -1.7119 PRESSURE: 409000 -289.518 -166.097 27.3396 -166.097 -276.298 135.7 27.3395 135.701 168.397 GPRESSURE: 409000 -238.154 -13.219 70.5515 -94.4133 -270.388 227.516 166.915 43.2727 178.321 PRESSAVG: 409000 3.2895 -32.832 -17.3377 -32.832 -3.97545 15.3061 -17.3377 15.3061 -26.3143 GPRESSAVG: 409000 3.18441 -34.2874 -17.0368 -31.9715 -2.23759 15.8137 -20.7963 14.3665 -27.6705 TIMING: 409000 CPU: 1286.86, 0.00314097/step Wall: 1286.86, 0.00314097/step, 4.00561 hours remaining, 235.562500 MB of memory in use. ENERGY: 409000 3927.9299 20505.4937 14400.7753 253.7106 -203542.9540 2608.2502 0.0000 0.0000 52318.8733 -109527.9210 300.6773 -161846.7943 -109156.2903 299.4349 -132.4727 -110.0739 761558.0057 -9.0001 -8.9079 PRESSURE: 409200 -154.631 130.522 -31.9492 130.522 -351.729 -208.192 -31.9496 -208.194 -131.531 GPRESSURE: 409200 -187.672 174.301 -20.1915 133.082 -272.319 -142.198 -54.0696 -205.655 -82.2932 PRESSAVG: 409200 13.0878 -19.0313 2.21835 -19.0313 -5.84469 39.4016 2.21832 39.4017 -41.8269 GPRESSAVG: 409200 12.3774 -17.1188 2.54249 -20.5418 -5.41923 39.7394 2.0019 39.6045 -41.9303 TIMING: 409200 CPU: 1287.49, 0.00314171/step Wall: 1287.49, 0.00314171/step, 4.00638 hours remaining, 235.562500 MB of memory in use. ENERGY: 409200 4024.4668 20636.8727 14455.2579 258.3285 -203435.7831 2620.5865 0.0000 0.0000 52036.8903 -109403.3804 299.0567 -161440.2707 -109045.5362 299.2490 -212.6301 -180.7614 761934.1696 -11.5279 -11.6574 PRESSURE: 409400 124.347 -24.8468 -111.358 -24.8473 -222.052 -66.2405 -111.357 -66.24 217.675 GPRESSURE: 409400 143.744 82.3437 -130.989 -129.632 -225.006 -65.901 -174.988 8.64206 285.352 PRESSAVG: 409400 -15.7425 16.1813 -10.7517 16.1813 -5.11785 -15.6405 -10.7518 -15.6404 3.32153 GPRESSAVG: 409400 -14.7318 17.0315 -12.9475 17.8689 -6.17516 -14.1483 -8.03825 -18.3822 3.03944 TIMING: 409400 CPU: 1288.12, 0.0031503/step Wall: 1288.12, 0.0031503/step, 4.01716 hours remaining, 235.562500 MB of memory in use. ENERGY: 409400 3930.6592 20482.2834 14473.7873 260.5565 -203715.8116 2927.3747 0.0000 0.0000 52214.5245 -109426.6259 300.0776 -161641.1504 -109061.1141 299.2808 39.9897 68.0303 760844.2127 -5.8463 -5.9558 PRESSURE: 409600 -147.378 -73.4307 -222.981 -73.4304 394.9 94.4604 -222.981 94.4596 -390.196 GPRESSURE: 409600 -100.396 36.7089 -249.507 -97.5858 400.819 -21.7621 -117.646 34.8491 -370.94 PRESSAVG: 409600 -8.71093 41.0206 16.382 41.0207 -16.6366 6.22036 16.382 6.22042 48.2055 GPRESSAVG: 409600 -8.87764 39.8943 17.0246 43.0296 -16.8388 4.26395 15.7805 7.66209 48.5234 TIMING: 409600 CPU: 1288.75, 0.00316245/step Wall: 1288.75, 0.00316245/step, 4.03248 hours remaining, 235.562500 MB of memory in use. ENERGY: 409600 4032.4933 20473.5285 14514.4754 230.8922 -203159.6157 2488.1378 0.0000 0.0000 52049.5329 -109370.5556 299.1294 -161420.0885 -109007.0066 299.2188 -47.5580 -23.5058 761127.5762 7.6193 7.6023 PRESSURE: 409800 88.5426 7.7824 48.0786 7.7825 322.664 -62.5216 48.0785 -62.5222 -216.379 GPRESSURE: 409800 316.876 -71.4999 48.9013 -74.942 256.242 38.8261 141.84 -53.7782 -284.836 PRESSAVG: 409800 14.5974 -38.3028 -16.1514 -38.3028 -23.2561 40.1623 -16.1513 40.1624 -2.54145 GPRESSAVG: 409800 12.9923 -38.2418 -15.4564 -40.0547 -22.1623 42.1118 -16.6272 40.9143 -2.64425 TIMING: 409800 CPU: 1289.38, 0.00313957/step Wall: 1289.38, 0.00313957/step, 4.00313 hours remaining, 235.562500 MB of memory in use. ENERGY: 409800 4003.1514 20430.5666 14510.2223 239.6076 -203360.8786 2822.2656 0.0000 0.0000 51844.4728 -109510.5923 297.9509 -161355.0651 -109153.1237 299.3336 64.9426 96.0940 762126.5515 -3.7334 -3.9381 PRESSURE: 410000 -35.2583 236.573 -28.7165 236.573 -233.325 -143.656 -28.716 -143.656 -326.401 GPRESSURE: 410000 9.07169 201.711 -72.7028 123.518 -204.958 -247.578 31.4493 -155.777 -324.099 PRESSAVG: 410000 38.2826 11.8987 -4.22274 11.8987 11.8994 13.8842 -4.2227 13.8842 2.56131 GPRESSAVG: 410000 39.0396 10.6397 -4.58149 12.5593 10.8275 13.0278 -4.63254 12.7866 2.83292 TIMING: 410000 CPU: 1290.01, 0.00315593/step Wall: 1290.01, 0.00315593/step, 4.02381 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: 410000 3950.8351 20453.0702 14439.6150 262.9766 -203547.0762 2815.0949 0.0000 0.0000 52199.5595 -109425.9249 299.9916 -161625.4844 -109069.8828 298.9455 -198.3280 -173.3283 761929.7135 17.5811 17.5667 PRESSURE: 410200 -193.597 -169.412 -57.4754 -169.412 -319.267 -41.2579 -57.475 -41.258 -107.57 GPRESSURE: 410200 -92.6555 -164.645 -148.638 -265.878 -295.633 22.9368 -32.1254 10.9656 -152.516 PRESSAVG: 410200 50.6177 -26.2331 10.1185 -26.2331 -14.0451 7.08855 10.1185 7.08859 8.84955 GPRESSAVG: 410200 49.6998 -26.51 9.01413 -27.6169 -13.242 9.09314 10.6804 5.56534 7.88509 TIMING: 410200 CPU: 1290.64, 0.00316082/step Wall: 1290.64, 0.00316082/step, 4.02987 hours remaining, 235.562500 MB of memory in use. ENERGY: 410200 3890.9490 20688.9955 14463.0666 254.3891 -203318.6312 2597.1833 0.0000 0.0000 52039.2124 -109384.8354 299.0701 -161424.0477 -109027.8586 299.5200 -206.8112 -180.2681 761322.5351 15.1407 14.7810 PRESSURE: 410400 -191.732 16.6806 -183.498 16.6806 -119.693 57.2791 -183.497 57.279 -46.2348 GPRESSURE: 410400 -212.106 -183.904 -89.4345 -29.3055 -74.9209 51.6348 -124.09 71.1731 21.5738 PRESSAVG: 410400 14.1207 -35.3687 -21.8932 -35.3686 3.22824 11.7791 -21.8932 11.7791 1.12652 GPRESSAVG: 410400 13.3379 -35.5822 -18.968 -36.6541 4.60856 10.5166 -22.7374 11.7389 1.10759 TIMING: 410400 CPU: 1291.27, 0.00315027/step Wall: 1291.27, 0.00315027/step, 4.01624 hours remaining, 235.562500 MB of memory in use. ENERGY: 410400 3930.3820 20402.3243 14502.4820 246.3690 -202958.1152 2297.0736 0.0000 0.0000 52128.6620 -109450.8222 299.5841 -161579.4842 -109073.3567 299.0330 -119.2200 -88.4845 762274.0259 6.1585 6.3513 PRESSURE: 410600 -292.034 -16.5663 205.853 -16.5665 -260.018 218.204 205.854 218.204 -261.894 GPRESSURE: 410600 -214.791 -52.2503 277.62 112.608 -273.15 188.855 254.7 155.728 -262.555 PRESSAVG: 410600 36.0623 -15.0996 -19.0147 -15.0996 -48.5097 17.7706 -19.0147 17.7705 4.10607 GPRESSAVG: 410600 35.5554 -13.2192 -19.4811 -15.1519 -49.0378 17.1256 -19.6754 18.6384 4.79686 TIMING: 410600 CPU: 1291.9, 0.0031404/step Wall: 1291.9, 0.0031404/step, 4.00349 hours remaining, 235.562500 MB of memory in use. ENERGY: 410600 3986.3416 20448.3063 14410.5084 249.6221 -203162.3994 2482.4354 0.0000 0.0000 52101.2635 -109483.9222 299.4267 -161585.1857 -109127.1359 299.3071 -271.3152 -250.1653 763979.8907 -2.7804 -2.8952 PRESSURE: 410800 334.409 -45.1501 92.5223 -45.1509 594.266 -328.767 92.5217 -328.766 124.34 GPRESSURE: 410800 337.095 -19.961 -26.8489 69.7627 574.615 -266.039 -1.37121 -227.96 218.383 PRESSAVG: 410800 21.7475 -9.38424 11.4582 -9.38423 -25.0357 -28.0506 11.4582 -28.0506 -9.31479 GPRESSAVG: 410800 23.3252 -8.89277 11.1735 -7.02038 -25.7838 -27.9074 11.4151 -27.3469 -10.7077 TIMING: 410800 CPU: 1292.53, 0.00314396/step Wall: 1292.53, 0.00314396/step, 4.00785 hours remaining, 235.562500 MB of memory in use. ENERGY: 410800 3947.6333 20507.1692 14425.6804 242.9400 -203317.5655 2798.4810 0.0000 0.0000 51938.6052 -109457.0565 298.4919 -161395.6617 -109095.4644 298.9690 351.0051 376.6976 761955.9181 -4.2010 -4.3887 PRESSURE: 411000 -166.939 -51.061 -101.772 -51.0607 264.313 -70.5629 -101.771 -70.5625 -173.334 GPRESSURE: 411000 -87.504 -34.5542 -115.443 -20.3633 245.207 -138.959 13.0975 -137.616 -137.301 PRESSAVG: 411000 -22.3915 33.1623 24.5716 33.1623 30.136 -33.3684 24.5716 -33.3683 -2.91836 GPRESSAVG: 411000 -23.2304 33.4051 22.8297 30.6102 30.6524 -32.3144 26.3328 -36.2821 -2.39924 TIMING: 411000 CPU: 1293.16, 0.00314742/step Wall: 1293.16, 0.00314742/step, 4.01208 hours remaining, 235.562500 MB of memory in use. ENERGY: 411000 3987.5586 20587.9282 14420.4835 277.0927 -203233.8213 2609.6875 0.0000 0.0000 52080.7339 -109270.3370 299.3087 -161351.0709 -108914.7498 299.4318 -25.3203 6.8008 761119.8592 1.6087 1.6742 PRESSURE: 411200 128.662 -99.3138 -89.4204 -99.314 -113.535 169.187 -89.4208 169.186 207.706 GPRESSURE: 411200 135.155 -61.7189 -62.6118 -92.0897 -65.3496 173.493 -34.8277 306.03 244.308 PRESSAVG: 411200 -32.9703 -5.10009 -4.03461 -5.10012 65.2442 10.4187 -4.03468 10.4187 -25.2617 GPRESSAVG: 411200 -31.1305 -6.47344 -2.26288 -3.57632 63.8951 9.68983 -5.14857 12.3694 -25.0451 TIMING: 411200 CPU: 1293.79, 0.00315811/step Wall: 1293.79, 0.00315811/step, 4.02553 hours remaining, 235.562500 MB of memory in use. ENERGY: 411200 4039.6128 20616.0937 14411.4255 242.2811 -203457.7994 2693.2352 0.0000 0.0000 51949.8513 -109505.2997 298.5565 -161455.1510 -109142.8400 299.8460 74.2778 104.7044 761172.5523 2.3374 2.5732 PRESSURE: 411400 -260.781 -175.039 133.909 -175.039 -195.505 208.505 133.91 208.506 -95.3241 GPRESSURE: 411400 -199.987 -120.041 102.904 -122.098 -189.545 183.524 105.255 180.72 -94.1052 PRESSAVG: 411400 -40.118 -52.6432 10.4745 -52.6432 39.7476 21.804 10.4744 21.8041 21.5996 GPRESSAVG: 411400 -40.3891 -51.7763 10.6354 -51.67 40.2027 22.5612 11.4697 20.0324 20.6565 TIMING: 411400 CPU: 1294.42, 0.00315018/step Wall: 1294.42, 0.00315018/step, 4.01525 hours remaining, 235.562500 MB of memory in use. ENERGY: 411400 4004.5685 20590.2962 14507.6652 254.6252 -203476.7551 2604.5864 0.0000 0.0000 52150.4718 -109364.5418 299.7095 -161515.0137 -109007.0330 299.2626 -183.8699 -161.2124 761429.6397 7.0764 6.8234 PRESSURE: 411600 -46.4492 128.434 308.689 128.434 -257.154 -29.1231 308.689 -29.1221 21.1382 GPRESSURE: 411600 -2.51262 78.7699 278.174 131.912 -208.329 -83.2493 347.039 8.10337 42.2716 PRESSAVG: 411600 15.4252 14.1477 59.1676 14.1477 -43.6103 8.98474 59.1676 8.9848 -22.2046 GPRESSAVG: 411600 14.5545 11.6647 60.0024 14.1701 -43.2119 7.25144 57.0455 11.2922 -21.9069 TIMING: 411600 CPU: 1295.05, 0.0031478/step Wall: 1295.05, 0.0031478/step, 4.01205 hours remaining, 235.562500 MB of memory in use. ENERGY: 411600 3922.6007 20278.4476 14488.1662 244.8137 -203293.0523 2592.0874 0.0000 0.0000 52408.1768 -109358.7599 301.1905 -161766.9367 -108995.0230 299.4374 -94.1550 -56.1900 763830.7269 -16.7966 -16.8548 PRESSURE: 411800 -93.606 90.9294 -9.99925 90.9304 148.122 83.3855 -10 83.3853 355.639 GPRESSURE: 411800 65.2877 34.4956 16.456 -77.6699 80.0022 96.8026 -55.1223 68.9688 332.156 PRESSAVG: 411800 1.4441 -17.9475 97.3276 -17.9475 -24.7985 64.7844 97.3276 64.7843 6.52452 GPRESSAVG: 411800 2.06697 -16.3323 96.3726 -18.4096 -25.5105 64.7218 102.029 62.972 6.41821 TIMING: 411800 CPU: 1295.68, 0.00313138/step Wall: 1295.68, 0.00313138/step, 3.99094 hours remaining, 235.562500 MB of memory in use. ENERGY: 411800 3915.6048 20512.7482 14376.1558 249.1720 -203386.1323 2760.1180 0.0000 0.0000 51999.6079 -109572.7256 298.8425 -161572.3335 -109204.1845 298.7761 136.7182 159.1486 762857.8234 -5.6100 -5.6751 PRESSURE: 412000 -198.277 -63.1267 -143.453 -63.1257 20.6993 -30.6135 -143.453 -30.6136 -99.7499 GPRESSURE: 412000 -162.114 -95.2694 -248.216 -13.9722 92.1823 -56.6195 -48.3666 -37.4023 -129.279 PRESSAVG: 412000 -3.3085 -41.9192 -29.6816 -41.9192 -68.609 27.9795 -29.6816 27.9795 4.26371 GPRESSAVG: 412000 -4.23365 -41.8739 -28.7683 -44.0229 -67.5881 30.8958 -33.829 27.997 4.08901 TIMING: 412000 CPU: 1296.31, 0.0031454/step Wall: 1296.31, 0.0031454/step, 4.00864 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: 412000 4054.1472 20272.0590 14479.2943 261.1518 -203448.0087 2675.9718 0.0000 0.0000 52002.6919 -109702.6927 298.8602 -161705.3847 -109344.9952 298.1812 -92.4426 -66.4036 762353.5221 -22.5513 -22.5776 PRESSURE: 412200 -3.89337 57.8648 121.256 57.8655 -73.6272 -119.771 121.256 -119.771 67.292 GPRESSURE: 412200 31.2321 143.029 58.3641 43.5604 -77.8097 -152.403 152.587 -96.6649 122.237 PRESSAVG: 412200 16.9785 -41.3388 -7.61517 -41.3388 -84.6808 0.556372 -7.6152 0.556366 -14.6667 GPRESSAVG: 412200 17.3964 -41.7587 -7.729 -42.676 -85.2961 -3.67157 -7.39359 1.99252 -14.4291 TIMING: 412200 CPU: 1296.94, 0.00314699/step Wall: 1296.94, 0.00314699/step, 4.01049 hours remaining, 235.562500 MB of memory in use. ENERGY: 412200 3941.6233 20560.6033 14492.1189 244.4735 -203736.8762 2837.5919 0.0000 0.0000 51818.4003 -109842.0651 297.8011 -161660.4653 -109486.0559 298.6406 -3.4095 25.2197 763413.2603 -27.4563 -27.4429 LDB: ============= START OF LOAD BALANCING ============== 1309.39 LDB: ============== END OF LOAD BALANCING =============== 1309.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1309.39 LDB: ============= START OF LOAD BALANCING ============== 1309.71 LDB: Largest compute 7026 load 0.034828 is 17.9% of average load 0.195037 LDB: Average compute 0.004417 is 2.3% of average load 0.195037 LDB: TIME 1309.71 LOAD: AVG 0.195037 MAX 0.217695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.852 MB LDB: TIME 1309.71 LOAD: AVG 0.195037 MAX 0.217695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 1309.71 LOAD: AVG 0.195037 MAX 0.213818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 1309.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1309.72 PRESSURE: 412400 102.944 -25.1222 -109.473 -25.1225 -129.647 -150.995 -109.474 -150.995 163.193 GPRESSURE: 412400 154.223 9.13908 -141.916 -79.7041 -69.2383 -142.314 -219.638 -85.544 138.631 PRESSAVG: 412400 32.3947 31.3904 -17.7781 31.3904 -8.37957 -16.7842 -17.778 -16.7842 0.211711 GPRESSAVG: 412400 31.8691 30.2919 -18.7975 33.9355 -7.77618 -13.7826 -15.8926 -16.9311 -0.0176423 TIMING: 412400 CPU: 1297.58, 0.0032256/step Wall: 1297.58, 0.0032256/step, 4.11049 hours remaining, 235.566406 MB of memory in use. ENERGY: 412400 4094.6979 20488.8596 14468.1341 240.4612 -203295.6664 2453.5631 0.0000 0.0000 51731.7257 -109818.2248 297.3029 -161549.9505 -109471.0865 298.2363 45.4970 74.5384 760870.0243 8.0756 8.0251 PRESSURE: 412600 26.2002 29.6367 -287.755 29.6374 8.09457 -198.727 -287.756 -198.727 114.754 GPRESSURE: 412600 204.305 -71.102 -268.307 57.0058 -79.0406 -147.715 -370.057 -73.8669 135.536 PRESSAVG: 412600 27.193 -2.76216 -1.85341 -2.76218 -48.3876 -41.9743 -1.85342 -41.9743 -11.0229 GPRESSAVG: 412600 27.6708 -1.16038 -0.140957 -4.35703 -49.4874 -42.3179 -3.25402 -41.653 -10.9725 TIMING: 412600 CPU: 1298.21, 0.00314754/step Wall: 1298.21, 0.00314754/step, 4.01084 hours remaining, 235.769531 MB of memory in use. ENERGY: 412600 4021.5546 20384.9129 14374.5180 254.4041 -203682.0155 2743.9066 0.0000 0.0000 52011.5104 -109891.2089 298.9109 -161902.7193 -109527.3220 298.1613 49.6830 86.9332 761008.9602 -10.7392 -10.9297 PRESSURE: 412800 -41.4134 -129.471 9.04316 -129.471 -137.902 63.8476 9.04318 63.8484 107.901 GPRESSURE: 412800 -19.9792 -231.409 46.3483 -110.969 -127.225 78.7469 28.4884 59.0038 156.448 PRESSAVG: 412800 62.2062 6.96648 3.28316 6.96646 -32.4871 -21.6879 3.28314 -21.688 -0.858538 GPRESSAVG: 412800 61.5497 6.31862 2.31723 8.11119 -32.7554 -20.9148 3.76682 -23.0553 -0.104582 TIMING: 412800 CPU: 1298.84, 0.00314427/step Wall: 1298.84, 0.00314427/step, 4.0065 hours remaining, 235.769531 MB of memory in use. ENERGY: 412800 3957.8940 20407.0715 14443.6765 242.0420 -203212.9447 2615.6395 0.0000 0.0000 51844.6446 -109701.9766 297.9519 -161546.6213 -109335.3615 298.2590 -23.8048 3.0815 762767.8868 9.6202 9.5632 PRESSURE: 413000 332.403 145.094 -7.70467 145.095 -314.403 72.6744 -7.70428 72.674 441.461 GPRESSURE: 413000 332.743 90.1366 6.67206 128.75 -244.805 91.1496 -56.2217 90.766 444.138 PRESSAVG: 413000 76.9566 15.8891 7.5393 15.8891 -30.5413 9.99474 7.5393 9.99471 -10.3786 GPRESSAVG: 413000 77.3551 16.8247 8.34262 16.704 -30.6077 9.50301 8.2149 9.87721 -11.5349 TIMING: 413000 CPU: 1299.47, 0.00313788/step Wall: 1299.47, 0.00313788/step, 3.99818 hours remaining, 235.769531 MB of memory in use. ENERGY: 413000 4017.1510 20430.2990 14546.4344 249.3397 -203698.4132 2828.4427 0.0000 0.0000 52080.8327 -109545.9138 299.3093 -161626.7465 -109174.9950 298.9485 153.1540 177.3586 760642.3720 12.0122 11.7375 PRESSURE: 413200 -126.991 -64.7716 62.1074 -64.7727 -283.688 76.1561 62.1077 76.1552 6.15831 GPRESSURE: 413200 -184.123 -35.4925 18.7867 -52.3863 -203.525 33.5763 35.3421 85.8683 58.653 PRESSAVG: 413200 78.4341 6.06685 56.4689 6.06683 -132.532 39.4897 56.4689 39.4898 -2.44478 GPRESSAVG: 413200 78.0618 8.74355 55.2652 3.00354 -131.313 38.6147 54.1887 41.6659 -3.46856 TIMING: 413200 CPU: 1300.09, 0.00313908/step Wall: 1300.09, 0.00313908/step, 3.99953 hours remaining, 235.769531 MB of memory in use. ENERGY: 413200 4032.0923 20568.6861 14523.4216 230.4676 -203290.5507 2687.1207 0.0000 0.0000 51633.1358 -109615.6266 296.7363 -161248.7624 -109261.2971 298.5344 -134.8404 -109.6652 762657.9750 -18.8476 -18.9067 PRESSURE: 413400 199.94 -120.672 -151.474 -120.672 18.275 142.918 -151.473 142.919 147.865 GPRESSURE: 413400 182.977 -1.877 -82.5421 -55.1501 102.823 104.005 -56.7641 131.963 160.402 PRESSAVG: 413400 -56.1723 88.1075 -12.0939 88.1075 81.742 -12.3756 -12.0939 -12.3756 -11.9641 GPRESSAVG: 413400 -56.7103 81.9524 -9.63463 94.0601 81.5335 -10.2847 -11.2075 -13.4328 -11.1347 TIMING: 413400 CPU: 1300.72, 0.00313581/step Wall: 1300.72, 0.00313581/step, 3.9952 hours remaining, 235.769531 MB of memory in use. ENERGY: 413400 4021.3550 20625.7708 14418.0847 266.1073 -203349.0915 2498.9337 0.0000 0.0000 51882.8585 -109635.9816 298.1715 -161518.8400 -109270.2432 298.8697 122.0266 148.7339 761108.9950 4.5352 4.5628 PRESSURE: 413600 310.456 -147.762 -115.799 -147.762 -78.858 17.2289 -115.8 17.2289 -36.4586 GPRESSURE: 413600 345.172 -136.32 -188.161 -73.7271 -16.045 -5.20986 -110.587 64.8155 -39.6461 PRESSAVG: 413600 16.3019 5.37514 -46.5287 5.37514 -13.6996 6.13216 -46.5287 6.13215 12.2119 GPRESSAVG: 413600 17.1097 7.08523 -47.6756 3.90195 -13.6641 6.04493 -46.2293 6.73242 11.7273 TIMING: 413600 CPU: 1301.35, 0.00315461/step Wall: 1301.35, 0.00315461/step, 4.01898 hours remaining, 235.769531 MB of memory in use. ENERGY: 413600 3934.9391 20404.1563 14437.2731 233.9246 -203066.2464 2417.7906 0.0000 0.0000 51969.4410 -109668.7217 298.6691 -161638.1627 -109308.2399 298.2582 65.0466 96.4938 761072.9799 4.9380 5.0576 PRESSURE: 413800 -375.552 93.1687 192.113 93.1698 -75.408 144.211 192.113 144.21 -328.761 GPRESSURE: 413800 -359.551 99.6083 199.177 124.893 -122.779 156.319 34.8716 -35.5221 -198.769 PRESSAVG: 413800 -7.65076 -23.5075 3.80552 -23.5076 -53.6933 21.8697 3.80554 21.8697 -4.36177 GPRESSAVG: 413800 -7.6907 -21.2474 3.68669 -23.2112 -53.3102 21.2308 3.57738 20.4207 -3.87862 TIMING: 413800 CPU: 1301.98, 0.00315386/step Wall: 1301.98, 0.00315386/step, 4.01784 hours remaining, 235.769531 MB of memory in use. ENERGY: 413800 3974.2481 20554.2299 14444.5479 250.1917 -203408.9028 2660.1110 0.0000 0.0000 52073.5342 -109452.0399 299.2673 -161525.5742 -109081.6545 298.7686 -259.9068 -227.0334 763281.1283 -21.9019 -21.6265 PRESSURE: 414000 -145.103 -221.742 47.4888 -221.742 -164.304 -124.026 47.4886 -124.026 407.025 GPRESSURE: 414000 -129.428 -263.517 29.0091 -242.061 -80.393 -60.4504 122.73 -41.1142 383.852 PRESSAVG: 414000 -17.3458 39.3942 0.574768 39.3942 44.3801 10.6343 0.574792 10.6344 2.34194 GPRESSAVG: 414000 -17.5625 37.323 -0.650237 39.0525 44.63 10.577 0.823928 11.7889 2.53726 TIMING: 414000 CPU: 1302.61, 0.00315724/step Wall: 1302.61, 0.00315724/step, 4.02198 hours remaining, 235.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 414000 3960.8545 20638.6511 14489.4219 241.2936 -203477.3265 2521.1539 0.0000 0.0000 51909.6417 -109716.3098 298.3254 -161625.9515 -109363.1823 298.4555 32.5396 58.0105 762509.3178 9.7921 9.8683 PRESSURE: 414200 -432.612 -57.7613 -169.683 -57.7612 -416.351 -139.52 -169.683 -139.521 101.835 GPRESSURE: 414200 -338.075 -74.0514 -223.812 18.9762 -376.204 -184.103 -10.8942 -142.469 61.5865 PRESSAVG: 414200 -81.9267 -47.0895 -3.94125 -47.0895 56.69 -17.9021 -3.9413 -17.9021 7.97421 GPRESSAVG: 414200 -80.2217 -43.7422 -4.32138 -48.269 54.7402 -16.7417 -2.73515 -19.3812 7.62657 TIMING: 414200 CPU: 1303.24, 0.00314798/step Wall: 1303.24, 0.00314798/step, 4.01 hours remaining, 235.769531 MB of memory in use. ENERGY: 414200 3976.2169 20540.8036 14484.4997 256.4917 -203576.2566 2688.0254 0.0000 0.0000 51865.8982 -109764.3209 298.0740 -161630.2191 -109402.0053 298.7204 -249.0425 -217.5639 761696.1871 -5.7542 -5.9516 PRESSURE: 414400 -204.651 81.3958 100.921 81.3956 -156.914 178.766 100.92 178.766 -91.773 GPRESSURE: 414400 -70.1141 34.658 100.166 4.44774 -234.044 80.8237 141.622 207.578 -52.378 PRESSAVG: 414400 -1.82825 -33.6383 3.94332 -33.6383 25.8116 -36.1569 3.94331 -36.1568 -15.6808 GPRESSAVG: 414400 -2.469 -36.6029 5.56536 -33.5941 26.8847 -36.9281 2.94208 -34.3546 -15.6896 TIMING: 414400 CPU: 1303.87, 0.00314024/step Wall: 1303.87, 0.00314024/step, 3.99997 hours remaining, 235.769531 MB of memory in use. ENERGY: 414400 3945.6719 20523.5776 14513.1424 254.4065 -203126.1503 2291.1104 0.0000 0.0000 51797.8992 -109800.3424 297.6832 -161598.2415 -109437.1356 298.5017 -151.1127 -118.8454 762847.7700 2.7675 2.9087 PRESSURE: 414600 -134.322 -16.0182 -129.273 -16.018 84.5285 -71.8139 -129.273 -71.8133 -47.5791 GPRESSURE: 414600 -196.452 103.615 -216.094 36.9922 183.288 -124.044 4.03517 -180.499 4.10176 PRESSAVG: 414600 -14.3945 36.1393 -30.4469 36.1392 55.1171 21.8274 -30.447 21.8274 29.951 GPRESSAVG: 414600 -14.8762 36.8147 -30.985 35.4639 54.2774 21.758 -29.4415 23.2135 30.6783 TIMING: 414600 CPU: 1304.5, 0.00312936/step Wall: 1304.5, 0.00312936/step, 3.98594 hours remaining, 235.769531 MB of memory in use. ENERGY: 414600 4022.3227 20489.3501 14514.7847 248.5546 -203502.6836 2623.9314 0.0000 0.0000 51965.6307 -109638.1093 298.6472 -161603.7400 -109285.2302 298.5232 -32.4575 -3.0209 761342.2140 23.5578 23.3599 PRESSURE: 414800 -77.5805 -157.508 -64.8294 -157.508 -269.847 42.5691 -64.8302 42.5675 68.0758 GPRESSURE: 414800 -69.1066 -171.6 1.71167 -192.726 -151.004 58.0779 -13.6807 77.5798 18.3053 PRESSAVG: 414800 23.948 -53.5829 32.9152 -53.5829 5.88323 35.6232 32.9153 35.6231 -5.59808 GPRESSAVG: 414800 23.477 -53.4883 33.709 -50.112 6.4804 37.0587 32.8985 33.627 -5.44817 TIMING: 414800 CPU: 1305.13, 0.00313645/step Wall: 1305.13, 0.00313645/step, 3.99479 hours remaining, 235.769531 MB of memory in use. ENERGY: 414800 4029.5601 20487.5894 14392.2486 259.5185 -203186.3472 2567.3022 0.0000 0.0000 51542.4090 -109907.7195 296.2149 -161450.1284 -109559.6739 298.1707 -93.1171 -67.2683 762744.5242 8.0777 8.1697 PRESSURE: 415000 -302.343 -16.0611 -53.0811 -16.0607 -113.953 25.881 -53.0815 25.88 408.24 GPRESSURE: 415000 -256.347 -13.6659 -12.7581 9.20994 -52.5649 31.5951 -43.568 5.02811 367.872 PRESSAVG: 415000 -17.0398 -18.3083 31.9245 -18.3083 47.7135 -32.8861 31.9245 -32.886 -2.60219 GPRESSAVG: 415000 -16.4057 -17.9869 31.148 -19.8463 48.9483 -34.784 30.821 -31.4214 -4.54253 TIMING: 415000 CPU: 1305.75, 0.00314503/step Wall: 1305.75, 0.00314503/step, 4.00555 hours remaining, 235.769531 MB of memory in use. ENERGY: 415000 4063.2929 20283.6541 14483.2573 251.9248 -203531.0746 2662.1297 0.0000 0.0000 52149.8731 -109636.9427 299.7060 -161786.8157 -109273.5300 298.1796 -2.6856 19.6533 761130.9619 9.3572 9.3334 PRESSURE: 415200 -214.476 122.306 -57.3314 122.306 -31.6294 142.844 -57.3317 142.845 -177.26 GPRESSURE: 415200 -171.553 70.8662 -101.527 72.9938 -11.5116 32.9689 -82.4115 144.763 -145.42 PRESSAVG: 415200 5.73187 2.27189 -26.4385 2.27192 39.9977 0.785098 -26.4385 0.785116 -13.9356 GPRESSAVG: 415200 5.95211 -0.0134969 -25.6103 2.40265 39.0451 3.07363 -27.122 0.483094 -12.6076 TIMING: 415200 CPU: 1306.38, 0.00313685/step Wall: 1306.38, 0.00313685/step, 3.99495 hours remaining, 235.769531 MB of memory in use. ENERGY: 415200 4015.8806 20766.8752 14428.8840 242.3338 -203410.1731 2419.5111 0.0000 0.0000 52014.1770 -109522.5113 298.9262 -161536.6883 -109160.8184 298.9143 -141.1219 -109.4948 761792.4767 10.5980 10.7965 PRESSURE: 415400 -25.5067 -84.0955 83.6217 -84.0957 -108.727 206.077 83.6215 206.078 56.4143 GPRESSURE: 415400 -67.7549 25.0628 113.564 -42.8822 -65.7617 136.439 161.884 204.225 149.109 PRESSAVG: 415400 5.17496 -15.2539 -16.2474 -15.2538 -21.0234 40.5482 -16.2474 40.5482 -1.20499 GPRESSAVG: 415400 4.35298 -13.5453 -17.6027 -17.3699 -21.0902 38.6958 -14.4297 38.3144 -0.806912 TIMING: 415400 CPU: 1307.01, 0.00314564/step Wall: 1307.01, 0.00314564/step, 4.00598 hours remaining, 235.769531 MB of memory in use. ENERGY: 415400 4011.1749 20434.6761 14464.1820 229.9160 -203892.6410 2830.2605 0.0000 0.0000 52284.3487 -109638.0828 300.4789 -161922.4315 -109282.2326 299.6090 -25.9397 5.1974 761448.7828 -5.6845 -5.8481 PRESSURE: 415600 364.33 -24.2003 128.71 -24.2004 271.952 -125.444 128.71 -125.444 -17.9003 GPRESSURE: 415600 342.052 -49.5987 56.1722 53.0708 381.197 -111 155.455 -70.5964 11.3899 PRESSAVG: 415600 47.0425 14.118 10.4122 14.118 -31.5501 -45.5833 10.4122 -45.5833 16.3284 GPRESSAVG: 415600 47.6983 15.0091 9.80763 16.063 -31.7751 -46.4287 9.04534 -44.7268 16.0825 TIMING: 415600 CPU: 1307.64, 0.00315459/step Wall: 1307.64, 0.00315459/step, 4.01719 hours remaining, 235.769531 MB of memory in use. ENERGY: 415600 3993.9095 20550.5324 14460.7552 264.5618 -203792.9985 2859.7556 0.0000 0.0000 52020.3341 -109643.1500 298.9616 -161663.4841 -109287.8509 299.1341 206.1274 244.8797 760581.6647 10.6069 10.6686 PRESSURE: 415800 -43.9979 -55.7212 -148.329 -55.7213 -172.254 21.8972 -148.329 21.8964 -78.7776 GPRESSURE: 415800 11.3974 57.0698 -154.328 -140.315 -144.759 -28.2602 -75.3151 164.987 -83.6506 PRESSAVG: 415800 24.4487 -16.871 -19.1092 -16.871 -40.4164 -46.0053 -19.1092 -46.0053 2.28417 GPRESSAVG: 415800 23.3114 -17.6822 -17.6938 -17.5784 -39.9693 -45.3278 -18.8652 -46.0488 3.1701 TIMING: 415800 CPU: 1308.27, 0.00314371/step Wall: 1308.27, 0.00314371/step, 4.00316 hours remaining, 235.769531 MB of memory in use. ENERGY: 415800 4029.6757 20400.0780 14471.6487 251.7902 -203207.9509 2590.4577 0.0000 0.0000 51971.5990 -109492.7015 298.6815 -161464.3005 -109135.2155 298.9857 -98.3432 -72.3375 763074.8011 -4.5612 -4.4959 PRESSURE: 416000 187.969 -120.846 13.7611 -120.845 193.951 84.3229 13.762 84.3229 57.1537 GPRESSURE: 416000 172.444 -159.262 107.864 -97.8963 236.634 72.2556 61.4871 73.5862 112.89 PRESSAVG: 416000 78.7979 51.1051 -29.6439 51.1051 -40.8839 -0.854429 -29.644 -0.854445 -5.31519 GPRESSAVG: 416000 79.8574 50.5803 -30.1023 51.1628 -40.5039 -0.522319 -30.5789 -1.97349 -6.73389 TIMING: 416000 CPU: 1308.9, 0.00312815/step Wall: 1308.9, 0.00312815/step, 3.98318 hours remaining, 235.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 416000 3978.7434 20587.7867 14498.1045 257.1743 -203714.8557 2661.0192 0.0000 0.0000 52282.5028 -109449.5249 300.4683 -161732.0277 -109089.4505 299.3050 146.3579 173.9894 759168.0457 10.8662 10.8732 PRESSURE: 416200 39.823 119.566 -53.3006 119.566 -143.863 111.452 -53.3004 111.451 360.954 GPRESSURE: 416200 145.905 100.794 -121.77 27.62 -196.73 101.901 -44.5805 67.99 389.821 PRESSAVG: 416200 28.9157 72.752 2.61653 72.752 -20.1259 -68.7212 2.61651 -68.7212 -2.17641 GPRESSAVG: 416200 30.2009 73.5462 1.17927 72.2404 -21.7026 -68.4559 4.02919 -67.5691 -1.52852 TIMING: 416200 CPU: 1309.52, 0.00313739/step Wall: 1309.52, 0.00313739/step, 3.99477 hours remaining, 235.769531 MB of memory in use. ENERGY: 416200 4113.4072 20521.1281 14387.9669 265.9648 -203058.8836 2203.7304 0.0000 0.0000 52104.2870 -109462.3991 299.4441 -161566.6861 -109104.7832 299.4104 85.6380 112.9988 763296.9764 2.2045 2.3232 LDB: ============= START OF LOAD BALANCING ============== 1321.97 LDB: ============== END OF LOAD BALANCING =============== 1321.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1321.98 LDB: ============= START OF LOAD BALANCING ============== 1322.29 LDB: Largest compute 7026 load 0.034326 is 17.6% of average load 0.194871 LDB: Average compute 0.004416 is 2.3% of average load 0.194871 LDB: TIME 1322.29 LOAD: AVG 0.194871 MAX 0.211724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1322.29 LOAD: AVG 0.194871 MAX 0.211724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 1322.29 LOAD: AVG 0.194871 MAX 0.211724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 1322.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1322.3 PRESSURE: 416400 -50.0579 17.1109 -199.538 17.1116 -137.57 244.62 -199.537 244.62 -52.3143 GPRESSURE: 416400 -59.2276 -115.531 -194.614 26.8055 -76.513 173.429 -32.8147 290.07 -0.297948 PRESSAVG: 416400 41.3669 38.638 16.2727 38.638 18.5873 -15.1709 16.2727 -15.171 37.445 GPRESSAVG: 416400 39.8621 38.3363 16.8372 38.4564 19.1602 -15.9619 17.9513 -15.1145 37.9379 TIMING: 416400 CPU: 1310.17, 0.00321041/step Wall: 1310.17, 0.00321041/step, 4.08756 hours remaining, 235.507812 MB of memory in use. ENERGY: 416400 4036.6407 20663.1473 14473.4221 253.9861 -203513.5100 2516.2544 0.0000 0.0000 51966.4798 -109603.5796 298.6521 -161570.0594 -109241.9669 299.5754 -79.9807 -45.3462 763672.4109 32.4664 32.3201 PRESSURE: 416600 -336.712 105.494 260.662 105.494 -297.026 57.193 260.662 57.1935 189.406 GPRESSURE: 416600 -276.696 34.6459 349.355 107.623 -238.266 27.9832 147.492 -137.02 159.681 PRESSAVG: 416600 -58.1413 36.111 60.4731 36.111 21.7878 4.52588 60.4731 4.52578 -22.3711 GPRESSAVG: 416600 -57.0967 35.3028 60.9962 36.6419 21.5992 5.08587 57.5259 4.24956 -23.1524 TIMING: 416600 CPU: 1310.8, 0.00315866/step Wall: 1310.8, 0.00315866/step, 4.0215 hours remaining, 235.710938 MB of memory in use. ENERGY: 416600 3990.6888 20483.3669 14429.0574 226.5368 -203192.8311 2569.5495 0.0000 0.0000 51968.9691 -109524.6626 298.6664 -161493.6316 -109172.2452 299.0802 -148.1104 -118.4269 763199.1104 -19.5748 -19.5500 PRESSURE: 416800 -196.047 100.223 -120.162 100.221 403.48 86.1453 -120.162 86.1453 201.419 GPRESSURE: 416800 -22.7148 48.1958 -112.337 -77.7944 440.585 161.106 -176.839 79.508 73.5428 PRESSAVG: 416800 -36.4436 -10.5693 -0.97159 -10.5693 29.9332 -11.1649 -0.971598 -11.165 12.5953 GPRESSAVG: 416800 -35.7036 -11.852 -0.0606807 -9.76115 29.7058 -9.7492 -0.351947 -10.5383 12.0967 TIMING: 416800 CPU: 1311.43, 0.00314575/step Wall: 1311.43, 0.00314575/step, 4.00488 hours remaining, 235.710938 MB of memory in use. ENERGY: 416800 3931.1492 20442.0175 14425.5926 243.8593 -203596.6460 2843.9808 0.0000 0.0000 52043.6065 -109666.4401 299.0953 -161710.0466 -109306.9091 298.7699 136.2838 163.8042 761504.1292 2.0283 2.0330 PRESSURE: 417000 -54.6281 -260.26 -122.852 -260.259 259.997 -37.8524 -122.851 -37.8516 -176.467 GPRESSURE: 417000 28.8824 -216.103 -127.37 -240.731 261.243 -54.6233 -81.1982 -34.3704 -149.368 PRESSAVG: 417000 3.10387 20.7774 -14.4402 20.7775 -1.03296 9.43363 -14.4402 9.43362 5.35041 GPRESSAVG: 417000 3.22718 21.7227 -15.104 18.7828 -0.923318 9.0429 -14.039 7.93666 5.59584 TIMING: 417000 CPU: 1312.06, 0.00315228/step Wall: 1312.06, 0.00315228/step, 4.01302 hours remaining, 235.710938 MB of memory in use. ENERGY: 417000 3982.3656 20358.3831 14362.4590 254.5538 -203660.3432 2865.1699 0.0000 0.0000 52065.5375 -109771.8743 299.2214 -161837.4118 -109404.1610 298.7506 9.6342 46.9193 760902.4749 2.4738 2.6332 PRESSURE: 417200 178.724 133.235 147.104 133.234 35.015 -379.955 147.105 -379.955 -2.83696 GPRESSURE: 417200 205.073 140.339 206.207 161.958 110.182 -385.671 140.507 -297.509 -17.2286 PRESSAVG: 417200 -16.2738 -18.9158 32.5561 -18.9158 1.6264 -1.32317 32.5562 -1.32319 -9.25466 GPRESSAVG: 417200 -17.5877 -18.1255 33.4231 -16.0743 2.58039 -2.49476 32.4015 0.232732 -9.76908 TIMING: 417200 CPU: 1312.69, 0.0031469/step Wall: 1312.69, 0.0031469/step, 4.006 hours remaining, 235.710938 MB of memory in use. ENERGY: 417200 3957.0732 20644.1254 14413.5895 240.8585 -203325.0330 2509.1768 0.0000 0.0000 51713.1116 -109847.0980 297.1960 -161560.2097 -109480.4161 298.8750 70.3005 99.3421 759810.0018 -7.9674 -8.2588 PRESSURE: 417400 -236.885 256.551 137.705 256.551 -190.612 105.454 137.705 105.454 -515.663 GPRESSURE: 417400 -202.217 340.486 121.815 215.64 -143.92 176.176 162.251 34.0311 -524.469 PRESSAVG: 417400 54.9239 17.6575 23.3361 17.6575 -32.7631 1.41471 23.3361 1.41475 -13.2781 GPRESSAVG: 417400 54.3477 17.8653 22.3109 16.3007 -31.6606 1.16932 23.2628 1.55419 -13.5073 TIMING: 417400 CPU: 1313.32, 0.00315454/step Wall: 1313.32, 0.00315454/step, 4.01556 hours remaining, 235.710938 MB of memory in use. ENERGY: 417400 4064.3375 20573.9454 14323.6238 245.0132 -203612.9797 2490.8666 0.0000 0.0000 52055.4993 -109859.6940 299.1637 -161915.1933 -109485.8707 298.9636 -314.3864 -290.2018 761940.2122 2.9609 3.0599 PRESSURE: 417600 -73.9583 -43.6664 -48.2411 -43.6667 -365.806 141.942 -48.2419 141.943 -124.244 GPRESSURE: 417600 -71.3886 -18.2791 -8.13271 -29.9067 -285.823 61.931 -92.9549 100.837 -142.445 PRESSAVG: 417600 11.2864 12.7598 11.4188 12.7598 -11.9146 33.3382 11.4189 33.3382 -26.039 GPRESSAVG: 417600 11.8869 13.7188 11.2297 11.9057 -12.9283 33.1156 11.0601 33.4909 -24.6375 TIMING: 417600 CPU: 1313.95, 0.00314102/step Wall: 1313.95, 0.00314102/step, 3.99817 hours remaining, 235.710938 MB of memory in use. ENERGY: 417600 3897.1936 20546.4089 14418.4580 261.0021 -203269.0681 2259.6061 0.0000 0.0000 51957.7968 -109928.6028 298.6022 -161886.3996 -109562.7796 297.9416 -188.0029 -166.5521 760900.7735 -8.8891 -8.5596 PRESSURE: 417800 -106.896 130.282 -29.9053 130.283 -66.0224 -117.306 -29.9048 -117.306 487.663 GPRESSURE: 417800 -40.6716 94.6798 11.7136 265.116 -33.8829 -123.542 -23.0458 -86.6695 469.126 PRESSAVG: 417800 24.6499 -46.4247 21.7624 -46.4247 -44.519 23.3348 21.7623 23.3347 9.87573 GPRESSAVG: 417800 25.4975 -47.875 21.8235 -44.8221 -44.6365 23.6336 21.7901 22.7938 9.45581 TIMING: 417800 CPU: 1314.57, 0.00311824/step Wall: 1314.57, 0.00311824/step, 3.969 hours remaining, 235.710938 MB of memory in use. ENERGY: 417800 4007.5775 20385.9368 14459.1628 271.6259 -203385.4697 2482.5572 0.0000 0.0000 51859.3631 -109919.2464 298.0365 -161778.6095 -109559.9965 298.1338 104.9149 131.5239 760539.6628 -3.3311 -3.2277 PRESSURE: 418000 30.8953 93.4998 7.99004 93.5 191.472 256.156 7.99064 256.155 -256.511 GPRESSURE: 418000 -66.9779 24.4262 9.07956 -26.1969 259.251 216.385 -41.9608 186.5 -143.856 PRESSAVG: 418000 25.0315 -6.43153 24.8767 -6.43157 26.007 -27.7301 24.8767 -27.7301 -21.9809 GPRESSAVG: 418000 23.8295 -4.71774 24.8848 -8.36514 26.5578 -28.2074 24.2601 -27.3155 -21.0653 TIMING: 418000 CPU: 1315.19, 0.00312491/step Wall: 1315.19, 0.00312491/step, 3.97732 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 418000 3954.0909 20329.2153 14509.8837 254.2171 -203625.1233 2688.5927 0.0000 0.0000 51829.0385 -110060.0850 297.8622 -161889.1235 -109698.1572 298.3561 -11.3812 16.1393 761459.7785 9.6859 9.7740 PRESSURE: 418200 212.85 245.405 -13.3383 245.406 348.605 85.747 -13.3386 85.7479 128.515 GPRESSURE: 418200 231.108 288.706 25.4548 208.27 326.892 -12.7749 -68.2846 -38.6587 219.666 PRESSAVG: 418200 -37.8506 29.1775 -12.9252 29.1775 17.0877 -31.2738 -12.9253 -31.2738 7.35747 GPRESSAVG: 418200 -35.2809 26.9532 -11.8422 31.3238 15.1113 -31.3795 -13.4047 -32.3626 6.8252 TIMING: 418200 CPU: 1315.83, 0.00315858/step Wall: 1315.83, 0.00315858/step, 4.01999 hours remaining, 235.710938 MB of memory in use. ENERGY: 418200 4009.0923 20472.9589 14383.9019 248.7909 -203521.4193 2715.2591 0.0000 0.0000 51755.0505 -109936.3657 297.4370 -161691.4162 -109574.2242 297.9249 229.9898 259.2218 760034.2724 -4.4685 -4.4481 PRESSURE: 418400 23.6974 -120.438 132.189 -120.439 50.0986 -1.09695 132.188 -1.0967 -44.7154 GPRESSURE: 418400 32.0082 -128.542 172.857 -53.1973 115.392 35.0049 159.671 72.7764 -27.1513 PRESSAVG: 418400 6.97748 -19.8197 -0.439016 -19.8197 -5.63701 50.962 -0.439019 50.962 -14.4263 GPRESSAVG: 418400 5.10594 -19.8135 -1.2238 -18.7989 -3.22517 51.3038 0.905229 52.4653 -14.7651 TIMING: 418400 CPU: 1316.46, 0.00315415/step Wall: 1316.46, 0.00315415/step, 4.01418 hours remaining, 235.710938 MB of memory in use. ENERGY: 418400 3981.3025 20475.4329 14416.3467 227.7262 -204029.5499 2787.7442 0.0000 0.0000 52150.7022 -109990.2952 299.7108 -162140.9974 -109619.8866 298.4292 9.6935 40.0829 760259.3532 -4.3619 -4.2948 PRESSURE: 418600 -34.247 -38.2291 91.5261 -38.2282 265.913 -69.7143 91.526 -69.715 47.5997 GPRESSURE: 418600 39.0907 -14.8032 25.6702 -115.434 333.396 -93.9812 97.5089 -50.1326 -13.3678 PRESSAVG: 418600 63.4149 -18.0747 -32.8305 -18.0746 -33.3312 0.13322 -32.8305 0.133247 15.4627 GPRESSAVG: 418600 63.4911 -17.5981 -33.8911 -18.4404 -34.1237 -0.142759 -33.7543 1.0582 16.0774 TIMING: 418600 CPU: 1317.09, 0.00314657/step Wall: 1317.09, 0.00314657/step, 4.00436 hours remaining, 235.710938 MB of memory in use. ENERGY: 418600 3918.9768 20475.5475 14425.3627 256.9135 -203791.0236 2772.0937 0.0000 0.0000 51837.9973 -110104.1321 297.9137 -161942.1294 -109739.7773 298.6307 93.0887 119.7063 759734.5259 15.1821 15.1483 PRESSURE: 418800 45.914 8.72176 -180.554 8.7214 251.263 -101.64 -180.554 -101.64 217.575 GPRESSURE: 418800 94.7394 -33.393 -125.693 -13.1326 272.429 -37.7975 -54.1768 -37.0482 248.309 PRESSAVG: 418800 -18.7353 -5.24139 -14.2978 -5.24142 13.3715 23.2417 -14.2978 23.2417 -14.0213 GPRESSAVG: 418800 -18.448 -4.71554 -13.6104 -6.33421 13.9039 22.8303 -13.3619 25.2915 -13.9573 TIMING: 418800 CPU: 1317.72, 0.00314425/step Wall: 1317.72, 0.00314425/step, 4.00123 hours remaining, 235.710938 MB of memory in use. ENERGY: 418800 3924.5058 20606.8138 14456.4332 258.3060 -203627.6906 2745.0750 0.0000 0.0000 51537.8356 -110098.7211 296.1886 -161636.5568 -109739.5933 297.9662 171.5838 205.1592 761734.2911 -6.4617 -6.1672 PRESSURE: 419000 -231.081 204.04 24.5762 204.04 0.523101 61.5341 24.5759 61.5343 -259.314 GPRESSURE: 419000 -111.299 140.166 37.3043 203.148 -20.1659 88.9397 -64.2155 20.6886 -266.09 PRESSAVG: 419000 63.4389 20.9399 -42.3346 20.9399 -23.1031 -27.16 -42.3347 -27.16 -6.01357 GPRESSAVG: 419000 63.0573 20.5027 -41.8163 21.8692 -24.1927 -26.2563 -43.7982 -29.3346 -4.83779 TIMING: 419000 CPU: 1318.34, 0.0031262/step Wall: 1318.34, 0.0031262/step, 3.9781 hours remaining, 235.710938 MB of memory in use. ENERGY: 419000 4048.1146 20231.4228 14452.8714 259.0743 -203265.5488 2442.0103 0.0000 0.0000 51843.3080 -109988.7475 297.9442 -161832.0555 -109626.8483 297.9326 -163.2908 -132.5185 760068.5436 11.4407 11.3423 PRESSURE: 419200 -186.011 190.57 -144.632 190.571 155.89 64.0485 -144.633 64.0486 131.291 GPRESSURE: 419200 -121.403 191.69 -131.351 118.57 200.733 162.379 6.44585 73.5504 88.5545 PRESSAVG: 419200 -0.291221 26.752 -32.5569 26.752 -17.1172 -17.955 -32.5569 -17.955 -5.04994 GPRESSAVG: 419200 -0.657502 26.5278 -34.3877 26.7025 -15.6722 -18.8794 -31.1488 -20.0534 -6.49592 TIMING: 419200 CPU: 1318.96, 0.00311033/step Wall: 1318.96, 0.00311033/step, 3.95773 hours remaining, 235.710938 MB of memory in use. ENERGY: 419200 3930.0437 20520.7933 14439.3412 243.7850 -203555.4762 2740.4492 0.0000 0.0000 51954.6744 -109726.3895 298.5842 -161681.0639 -109363.3069 298.9476 33.7234 55.9615 761736.9140 -7.4861 -7.6085 PRESSURE: 419400 335.475 138.565 -166.207 138.564 165.045 -82.7105 -166.207 -82.7106 -39.2297 GPRESSURE: 419400 340.337 172.345 -160.041 160.807 259.473 -23.6846 -229.067 -108.741 -43.9216 PRESSAVG: 419400 -11.6637 23.2459 -35.4269 23.2459 19.9467 -13.9985 -35.4268 -13.9984 10.4348 GPRESSAVG: 419400 -11.0301 24.1725 -33.8435 21.7544 19.5873 -13.4824 -35.4216 -12.9548 11.0818 TIMING: 419400 CPU: 1319.58, 0.00311234/step Wall: 1319.58, 0.00311234/step, 3.96011 hours remaining, 235.710938 MB of memory in use. ENERGY: 419400 3944.1149 20562.7330 14351.7269 261.7095 -203353.9227 2599.4408 0.0000 0.0000 51888.4168 -109745.7808 298.2034 -161634.1976 -109390.9361 298.5435 153.7632 185.2962 760745.4334 6.2392 6.5464 PRESSURE: 419600 7.12238 73.5491 127.683 73.5486 27.8449 -220.847 127.683 -220.847 -156.156 GPRESSURE: 419600 18.5332 161.304 141.834 85.9091 58.2121 -170.999 124.473 -153.463 -114.363 PRESSAVG: 419600 -7.34013 13.1008 -58.2656 13.1008 -9.40969 -25.7187 -58.2656 -25.7187 -2.93587 GPRESSAVG: 419600 -8.50991 12.9905 -56.9851 11.8778 -7.77719 -26.3464 -60.0201 -24.0967 -3.10354 TIMING: 419600 CPU: 1320.21, 0.00312804/step Wall: 1320.21, 0.00312804/step, 3.97991 hours remaining, 235.710938 MB of memory in use. ENERGY: 419600 4088.5672 20371.5906 14435.3839 241.8737 -203183.9595 2486.4041 0.0000 0.0000 52018.5027 -109541.6373 298.9510 -161560.1400 -109185.2486 298.7897 -40.3963 -12.5392 761289.4827 -6.5619 -6.4635 PRESSURE: 419800 -70.5166 36.8476 -158.57 36.8479 -18.2943 5.89436 -158.57 5.89526 301.771 GPRESSURE: 419800 9.02523 145.468 -133.007 53.0823 -49.7852 101.898 -143.442 1.42136 334.327 PRESSAVG: 419800 -25.9248 13.5352 -66.0375 13.5353 59.089 26.521 -66.0375 26.5211 13.8094 GPRESSAVG: 419800 -25.2125 14.084 -68.4585 14.4119 57.434 29.1692 -66.0882 25.6864 13.9471 TIMING: 419800 CPU: 1320.84, 0.00314527/step Wall: 1320.84, 0.00314527/step, 4.00166 hours remaining, 235.710938 MB of memory in use. ENERGY: 419800 3911.9628 20581.4103 14375.6257 271.2310 -203026.1231 2406.7415 0.0000 0.0000 51974.2325 -109504.9192 298.6966 -161479.1517 -109155.3880 299.2755 70.9866 97.8557 760493.2171 15.6579 15.3895 PRESSURE: 420000 116.864 -53.576 52.3925 -53.577 298.417 -227.937 52.3915 -227.937 43.3964 GPRESSURE: 420000 64.1016 -72.207 3.88745 -108.234 392.387 -306.462 173.215 -192.999 93.5097 PRESSAVG: 420000 -14.1778 39.8801 15.9171 39.8801 10.6532 5.25753 15.917 5.25755 12.6553 GPRESSAVG: 420000 -15.7589 38.9985 15.7183 40.4425 12.6246 3.62479 17.8485 5.60948 12.0707 TIMING: 420000 CPU: 1321.47, 0.00313469/step Wall: 1321.47, 0.00313469/step, 3.98802 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 420000 3966.2592 20540.0136 14409.4061 225.3154 -204021.2660 3115.5199 0.0000 0.0000 52013.6308 -109751.1211 298.9231 -161764.7519 -109387.1021 298.9013 152.8924 183.3328 760670.6102 3.0436 2.9788 PRESSURE: 420200 31.7499 -8.93015 -63.8407 -8.9301 199.609 71.9584 -63.8413 71.9588 -162.325 GPRESSURE: 420200 -2.95415 31.3965 -58.4062 -108.858 186.505 97.3572 -89.0287 -20.6256 -37.5443 PRESSAVG: 420200 -0.424919 8.38341 -25.1416 8.38348 17.3473 3.96509 -25.1416 3.96512 -12.7102 GPRESSAVG: 420200 -0.408699 7.34571 -23.8834 8.06899 16.2377 4.01732 -26.0841 2.63302 -12.0187 TIMING: 420200 CPU: 1322.1, 0.00315309/step Wall: 1322.1, 0.00315309/step, 4.01126 hours remaining, 235.710938 MB of memory in use. ENERGY: 420200 4060.9564 20639.4290 14429.1951 242.1597 -204065.4011 3023.7554 0.0000 0.0000 52004.3655 -109665.5400 298.8698 -161669.9054 -109305.2077 298.5004 23.0111 48.6688 760818.8645 1.4041 1.2701 LDB: ============= START OF LOAD BALANCING ============== 1334.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1334.55 LDB: =============== DONE WITH MIGRATION ================ 1334.55 LDB: ============= START OF LOAD BALANCING ============== 1334.87 LDB: Largest compute 7026 load 0.035749 is 18.3% of average load 0.194914 LDB: Average compute 0.004405 is 2.3% of average load 0.194914 LDB: TIME 1334.87 LOAD: AVG 0.194914 MAX 0.215793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.484 MB LDB: TIME 1334.87 LOAD: AVG 0.194914 MAX 0.215793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.488 MB LDB: TIME 1334.87 LOAD: AVG 0.194914 MAX 0.215793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.488 MB LDB: ============== END OF LOAD BALANCING =============== 1334.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1334.88 PRESSURE: 420400 98.6503 -55.8278 -282.601 -55.8278 -21.7528 -67.2127 -282.6 -67.213 -187.357 GPRESSURE: 420400 114.957 -199.627 -310.978 -98.1465 -27.6566 -12.2487 -190.277 -10.1679 -102.602 PRESSAVG: 420400 -18.0517 -26.0274 -24.7789 -26.0274 -15.4485 -5.62522 -24.779 -5.62516 -2.21858 GPRESSAVG: 420400 -16.1538 -24.9759 -24.321 -25.6108 -17.1802 -5.51532 -23.3788 -3.5373 -2.19738 TIMING: 420400 CPU: 1322.74, 0.00322074/step Wall: 1322.74, 0.00322074/step, 4.09714 hours remaining, 234.996094 MB of memory in use. ENERGY: 420400 4118.7548 20484.6070 14505.3858 242.0368 -203716.8987 2781.8121 0.0000 0.0000 51969.9893 -109614.3129 298.6722 -161584.3022 -109261.2119 299.0383 -36.8199 -5.1005 761047.6509 -11.9063 -11.8438 PRESSURE: 420600 -119.407 -110.786 147.95 -110.787 -23.3816 -141.611 147.951 -141.611 236.135 GPRESSURE: 420600 -28.0939 -200.106 111.396 -111.6 18.8277 -179.679 108.238 -168.091 187.448 PRESSAVG: 420600 35.1982 -82.7971 -5.37267 -82.7971 -16.9568 -12.3522 -5.37265 -12.3522 -33.441 GPRESSAVG: 420600 33.7379 -82.8254 -5.41302 -81.9959 -15.3243 -11.6614 -7.46692 -14.4765 -33.7645 TIMING: 420600 CPU: 1323.38, 0.00317131/step Wall: 1323.38, 0.00317131/step, 4.03408 hours remaining, 234.996094 MB of memory in use. ENERGY: 420600 3948.8268 20604.5776 14411.3708 259.3521 -203527.4474 2519.2678 0.0000 0.0000 52047.3644 -109736.6880 299.1169 -161784.0524 -109380.8281 298.9666 31.1155 59.3939 760882.6831 -5.0665 -5.1170 PRESSURE: 420800 98.7873 150.961 2.18141 150.962 169.414 32.2361 2.18132 32.237 -37.0307 GPRESSURE: 420800 44.393 92.7646 45.6036 89.5088 169.453 79.4823 11.4449 156.347 102.829 PRESSAVG: 420800 -35.1665 -36.4875 -58.853 -36.4875 -18.3844 9.89902 -58.853 9.89908 -6.36012 GPRESSAVG: 420800 -33.885 -37.2113 -59.0641 -38.6312 -20.2826 8.4497 -58.5429 13.0208 -6.4996 TIMING: 420800 CPU: 1324, 0.00312299/step Wall: 1324, 0.00312299/step, 3.97244 hours remaining, 234.996094 MB of memory in use. ENERGY: 420800 3918.3606 20545.4146 14506.2192 233.0274 -203230.7794 2494.4173 0.0000 0.0000 52162.9811 -109370.3592 299.7814 -161533.3403 -108999.2794 299.1019 77.0568 105.5583 761934.3266 -19.9703 -20.2224 PRESSURE: 421000 -240.55 -6.89981 98.4682 -6.89928 -73.4579 -16.2519 98.4677 -16.2508 -293.53 GPRESSURE: 421000 -153.069 15.9553 143.874 55.1858 -67.2821 14.224 145.94 45.6991 -301.427 PRESSAVG: 421000 -24.9612 -68.7705 -19.087 -68.7705 57.552 53.9561 -19.0871 53.9562 13.3047 GPRESSAVG: 421000 -24.8707 -68.4669 -19.2078 -69.2358 58.2978 56.5982 -18.0803 51.774 12.5253 TIMING: 421000 CPU: 1324.63, 0.00313809/step Wall: 1324.63, 0.00313809/step, 3.99148 hours remaining, 234.996094 MB of memory in use. ENERGY: 421000 4041.7258 20705.8863 14498.3230 235.4154 -203674.4228 2632.9493 0.0000 0.0000 52221.1236 -109338.9993 300.1155 -161560.1229 -108983.4915 299.7621 -202.5125 -173.9260 761998.5068 15.2985 15.3175 PRESSURE: 421200 -149.578 104.941 -0.287577 104.941 -271.801 -150.053 -0.288322 -150.053 -503.154 GPRESSURE: 421200 -134.508 178.255 -112.3 104.154 -151.147 -136.691 1.44584 -310.588 -550.102 PRESSAVG: 421200 6.52848 -45.0703 -9.20943 -45.0703 -13.1489 41.5304 -9.20946 41.5304 3.36144 GPRESSAVG: 421200 5.28087 -44.8375 -8.23567 -43.6182 -13.6799 40.4777 -12.0298 41.9442 4.96207 TIMING: 421200 CPU: 1325.26, 0.00314422/step Wall: 1325.26, 0.00314422/step, 3.9991 hours remaining, 235.253906 MB of memory in use. ENERGY: 421200 4052.1178 20596.2673 14529.3404 245.8846 -203290.7237 2454.2051 0.0000 0.0000 52000.6157 -109412.2928 298.8483 -161412.9084 -109052.3417 299.7279 -308.1777 -278.5860 762774.7924 -1.0863 -1.1456 PRESSURE: 421400 414.296 -40.1338 -95.5178 -40.1342 275.229 40.806 -95.518 40.8049 120.242 GPRESSURE: 421400 430.942 -11.4438 -7.75976 -50.4478 295.333 -119.865 -111.487 -0.345182 165.654 PRESSAVG: 421400 34.0037 6.23434 -13.7503 6.23435 -35.6092 -10.7617 -13.7503 -10.7618 -0.307144 GPRESSAVG: 421400 34.1087 5.50403 -12.3495 6.74077 -35.6722 -11.6062 -13.1208 -12.3866 -0.223198 TIMING: 421400 CPU: 1325.89, 0.00314624/step Wall: 1325.89, 0.00314624/step, 4.00149 hours remaining, 235.253906 MB of memory in use. ENERGY: 421400 3955.7298 20519.4760 14487.4850 238.7687 -203382.1761 2633.2584 0.0000 0.0000 52077.9710 -109469.4872 299.2928 -161547.4582 -109103.8305 299.3345 269.9226 297.3098 760044.0239 -0.6376 -0.5956 PRESSURE: 421600 17.0756 -24.0867 26.3178 -24.0865 181.571 -1.92879 26.3174 -1.92957 205.121 GPRESSURE: 421600 116.614 6.33283 9.15913 0.282928 189.302 59.672 41.0128 77.7807 193.043 PRESSAVG: 421600 59.0019 -47.1801 -33.5182 -47.1801 -36.6205 -6.79913 -33.5181 -6.79914 17.5509 GPRESSAVG: 421600 59.5971 -45.9239 -35.0481 -47.3171 -35.6797 -6.05297 -29.7202 -7.17906 15.5712 TIMING: 421600 CPU: 1326.52, 0.00317896/step Wall: 1326.52, 0.00317896/step, 4.04293 hours remaining, 235.253906 MB of memory in use. ENERGY: 421600 3982.7318 20645.2446 14516.1768 264.3610 -203351.7132 2629.7108 0.0000 0.0000 51797.2603 -109516.2279 297.6796 -161313.4882 -109157.4603 298.8591 134.5892 166.3197 759424.1397 13.3108 13.1629 PRESSURE: 421800 9.34394 -28.0551 51.9397 -28.0543 58.3383 -86.6989 51.9388 -86.7003 -136.47 GPRESSURE: 421800 89.4387 31.1289 84.0258 -130.532 18.5194 -122.319 -0.612646 -15.2448 -82.0993 PRESSAVG: 421800 -12.0674 -0.519903 -27.6379 -0.519961 38.6209 -3.80895 -27.6379 -3.8089 -10.5334 GPRESSAVG: 421800 -12.0094 -1.41492 -27.2067 0.156784 38.1364 -5.61819 -30.1856 -0.387135 -10.319 TIMING: 421800 CPU: 1327.15, 0.00316412/step Wall: 1327.15, 0.00316412/step, 4.02388 hours remaining, 235.253906 MB of memory in use. ENERGY: 421800 3954.7154 20309.1707 14482.5330 249.2210 -203444.0649 2645.4584 0.0000 0.0000 52171.2584 -109631.7080 299.8289 -161802.9664 -109265.9902 298.7474 -22.9294 8.6196 760040.6802 5.3400 5.2694 PRESSURE: 422000 -349.351 73.7016 118.103 73.7026 -248.883 276.624 118.103 276.623 157.625 GPRESSURE: 422000 -394.964 1.31846 121.193 37.4853 -118.021 287.716 -36.6109 322.075 159.783 PRESSAVG: 422000 -49.6923 -53.5005 37.4571 -53.5005 34.3088 -0.250717 37.4572 -0.250762 -2.14991 GPRESSAVG: 422000 -51.4053 -53.2573 36.6254 -54.3408 35.2835 1.09383 36.1905 -1.79465 -1.09975 TIMING: 422000 CPU: 1327.78, 0.00314364/step Wall: 1327.78, 0.00314364/step, 3.99766 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 422000 3946.6490 20430.4259 14544.8289 265.0973 -203509.2759 2677.3406 0.0000 0.0000 51905.0154 -109739.9188 298.2988 -161644.9342 -109376.9760 298.5802 -146.8696 -117.7344 762174.1472 -5.8445 -5.7405 PRESSURE: 422200 -14.4752 -171.915 -119.853 -171.915 -58.5752 -64.4308 -119.853 -64.4301 137.198 GPRESSURE: 422200 67.2268 -288.89 -105.483 -87.5505 -59.394 -69.7554 29.0261 79.4531 146.215 PRESSAVG: 422200 -65.4234 -21.2723 16.7357 -21.2723 35.4087 -73.2317 16.7358 -73.2317 0.0694429 GPRESSAVG: 422200 -63.9687 -23.139 18.1197 -20.7424 34.2643 -72.454 18.0533 -72.9863 0.162537 TIMING: 422200 CPU: 1328.41, 0.00314125/step Wall: 1328.41, 0.00314125/step, 3.99445 hours remaining, 235.253906 MB of memory in use. ENERGY: 422200 4082.7183 20393.8535 14474.9515 248.3369 -203458.5974 2741.1026 0.0000 0.0000 51824.1731 -109693.4616 297.8342 -161517.6347 -109343.0677 298.7185 21.3824 51.3493 762290.9494 -9.9817 -9.8473 PRESSURE: 422400 -48.3985 -81.5948 143.229 -81.5937 94.4734 -53.0794 143.23 -53.0791 -275.631 GPRESSURE: 422400 -33.8179 -124.855 223.342 186.766 70.1602 68.0454 119.446 -63.4666 -192.308 PRESSAVG: 422400 -39.7172 -19.843 -40.9477 -19.843 49.809 -44.6535 -40.9477 -44.6534 11.899 GPRESSAVG: 422400 -38.63 -20.2103 -40.3877 -19.0567 49.5884 -43.8011 -42.507 -44.9259 10.3936 TIMING: 422400 CPU: 1329.04, 0.00313238/step Wall: 1329.04, 0.00313238/step, 3.98299 hours remaining, 235.253906 MB of memory in use. ENERGY: 422400 3988.8319 20420.6833 14483.6932 252.4604 -203475.0599 2670.8077 0.0000 0.0000 51966.6990 -109691.8844 298.6533 -161658.5834 -109331.5011 298.6848 -76.5187 -51.9886 761895.3158 7.3303 7.1173 PRESSURE: 422600 -108.781 -85.8258 113.733 -85.8251 -52.2422 -44.8791 113.732 -44.8794 126.455 GPRESSURE: 422600 -113.688 -52.388 83.3095 -148.141 -2.6309 -6.25817 6.46631 -76.486 164.915 PRESSAVG: 422600 -10.5665 -9.22033 11.6537 -9.22029 51.334 -24.8022 11.6538 -24.8022 2.08535 GPRESSAVG: 422600 -10.8654 -7.21308 10.1696 -10.4266 52.2035 -25.7322 12.6526 -26.0248 1.87339 TIMING: 422600 CPU: 1329.66, 0.00313186/step Wall: 1329.66, 0.00313186/step, 3.98216 hours remaining, 235.253906 MB of memory in use. ENERGY: 422600 4000.6949 20442.8078 14410.0042 256.8913 -203557.5490 2775.6804 0.0000 0.0000 51928.8170 -109742.6534 298.4356 -161671.4704 -109378.4049 298.5636 -11.5228 16.1985 761822.4919 14.2843 14.4038 PRESSURE: 422800 101.254 -151.266 182.258 -151.267 81.4896 -116.495 182.258 -116.496 -38.069 GPRESSURE: 422800 92.7851 -196.766 181.944 -118.646 136.532 -102.871 95.0526 -124.082 -7.43598 PRESSAVG: 422800 2.46124 -13.1294 17.2126 -13.1294 -31.3766 -8.73808 17.2126 -8.73806 2.51823 GPRESSAVG: 422800 1.21504 -13.7587 16.8751 -12.7796 -31.5483 -10.932 17.5675 -8.12406 3.6936 TIMING: 422800 CPU: 1330.29, 0.00314224/step Wall: 1330.29, 0.00314224/step, 3.99518 hours remaining, 235.253906 MB of memory in use. ENERGY: 422800 3993.1368 20538.7398 14498.1364 244.5804 -203516.5536 2803.3895 0.0000 0.0000 51738.3388 -109700.2318 297.3409 -161438.5707 -109338.1296 298.3148 48.2249 73.9604 760839.1189 -8.7990 -8.8799 PRESSURE: 423000 56.4394 35.093 -87.1586 35.092 -39.5427 -27.1029 -87.1592 -27.1031 -341.402 GPRESSURE: 423000 153.785 17.6362 -87.1744 127.663 -3.85045 50.7572 54.3833 19.4696 -396.465 PRESSAVG: 423000 -30.0281 -33.8161 0.152823 -33.8161 2.56814 -8.08999 0.152796 -8.09 -8.13993 GPRESSAVG: 423000 -29.4243 -34.2732 -0.699453 -34.0021 1.9727 -6.81301 0.1296 -5.55885 -8.32047 TIMING: 423000 CPU: 1330.92, 0.00315365/step Wall: 1330.92, 0.00315365/step, 4.00951 hours remaining, 235.253906 MB of memory in use. ENERGY: 423000 3976.1489 20427.5963 14451.4417 254.9233 -203399.1467 2586.4087 0.0000 0.0000 51829.3689 -109873.2589 297.8641 -161702.6277 -109510.8997 298.9228 -108.1684 -82.1768 761474.0487 -11.8666 -11.9240 PRESSURE: 423200 -259.798 -140.27 22.4557 -140.271 47.3218 174.069 22.4557 174.07 -542.198 GPRESSURE: 423200 -249.268 -204.716 -97.3611 -81.9808 45.318 178.559 62.6598 75.7192 -481.243 PRESSAVG: 423200 57.9969 -25.2691 -12.9466 -25.2692 -14.5225 41.7336 -12.9466 41.7337 -19.203 GPRESSAVG: 423200 58.0077 -24.6822 -11.4931 -25.4884 -13.675 42.4964 -11.5104 39.2894 -20.3988 TIMING: 423200 CPU: 1331.55, 0.00314371/step Wall: 1331.55, 0.00314371/step, 3.9967 hours remaining, 235.253906 MB of memory in use. ENERGY: 423200 4114.1018 20494.8554 14390.0067 248.1989 -203084.2109 2484.3878 0.0000 0.0000 51731.5490 -109621.1113 297.3019 -161352.6603 -109265.0481 298.1141 -251.5582 -228.3978 762899.2304 8.0905 7.9780 PRESSURE: 423400 -86.0752 9.22936 55.3393 9.2293 -151.549 -14.4873 55.3397 -14.4856 68.7295 GPRESSURE: 423400 -90.7355 -38.2192 114.572 -63.2433 -64.984 -30.1207 -87.2362 93.744 78.0866 PRESSAVG: 423400 -43.2507 -6.18271 33.3281 -6.18276 0.72067 15.6941 33.3281 15.6941 0.975059 GPRESSAVG: 423400 -42.5021 -5.42211 33.4283 -8.29816 -0.0399246 16.0422 32.4439 16.1732 1.28195 TIMING: 423400 CPU: 1332.18, 0.0031469/step Wall: 1332.18, 0.0031469/step, 4.00059 hours remaining, 235.253906 MB of memory in use. ENERGY: 423400 3982.0914 20330.2648 14481.7665 247.6371 -203075.8852 2452.0954 0.0000 0.0000 51925.7843 -109656.2457 298.4182 -161582.0300 -109294.7875 298.6191 -56.2981 -25.8776 762266.5096 -13.8516 -13.7533 PRESSURE: 423600 119.347 -75.5727 -2.81009 -75.5738 39.7621 -142.555 -2.8105 -142.555 60.2992 GPRESSURE: 423600 169.376 3.65923 -29.986 -30.8025 30.4838 -192.208 44.7206 -302.17 107.498 PRESSAVG: 423600 -30.1116 24.6811 36.6722 24.681 50.4553 -5.47431 36.6721 -5.4743 -15.622 GPRESSAVG: 423600 -31.1077 23.5156 36.2424 25.963 51.1539 -8.33317 38.4385 -4.51683 -15.2602 TIMING: 423600 CPU: 1332.81, 0.00316356/step Wall: 1332.81, 0.00316356/step, 4.02159 hours remaining, 235.253906 MB of memory in use. ENERGY: 423600 3977.4908 20461.3825 14412.4217 244.4929 -203060.5637 2573.7940 0.0000 0.0000 51835.3231 -109555.6586 297.8983 -161390.9818 -109196.6475 298.5417 73.1362 102.4529 762220.6593 1.5739 1.5953 PRESSURE: 423800 -155.604 -69.1033 15.5825 -69.1026 -294.884 -3.95948 15.5831 -3.95893 -408.596 GPRESSURE: 423800 -168.184 32.2885 4.235 -70.2582 -192.508 30.3817 97.8838 151.509 -403.515 PRESSAVG: 423800 -31.7424 11.9653 64.6822 11.9653 15.7068 5.9789 64.6822 5.97892 16.9223 GPRESSAVG: 423800 -32.1907 13.7647 64.5664 12.3532 15.8955 5.61495 63.1173 7.48108 16.6675 TIMING: 423800 CPU: 1333.45, 0.00317728/step Wall: 1333.45, 0.00317728/step, 4.03885 hours remaining, 235.253906 MB of memory in use. ENERGY: 423800 4041.8189 20608.8197 14447.9828 240.6662 -203383.6657 2539.9613 0.0000 0.0000 51760.3535 -109744.0633 297.4675 -161504.4169 -109399.7079 298.4016 -286.3614 -254.7357 761934.5532 0.2956 0.1241 PRESSURE: 424000 -328.58 -58.2994 -116.882 -58.2998 -200.787 69.1547 -116.881 69.1542 -81.0871 GPRESSURE: 424000 -338.881 -62.6274 -73.5452 -55.7805 -49.1982 21.0629 -127.57 43.2887 -130.857 PRESSAVG: 424000 -62.8549 -11.1948 -16.3821 -11.1947 69.519 10.3242 -16.3821 10.3242 8.12823 GPRESSAVG: 424000 -62.2786 -10.7941 -15.9705 -11.4606 67.1742 12.1269 -19.9225 8.70722 9.16836 TIMING: 424000 CPU: 1334.08, 0.00316192/step Wall: 1334.08, 0.00316192/step, 4.01915 hours remaining, 235.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 424000 4009.5079 20457.2224 14424.6367 233.4165 -203419.2064 2511.9592 0.0000 0.0000 51998.7451 -109783.7184 298.8375 -161782.4636 -109425.0537 298.5462 -203.4846 -172.9787 761812.5881 4.9308 4.6880 PRESSURE: 424200 90.5956 -79.0042 21.148 -79.0053 268.115 180.982 21.1482 180.982 -245.611 GPRESSURE: 424200 156.361 -26.9462 66.698 -168.709 287.807 178.049 120.742 117.686 -268.999 PRESSAVG: 424200 19.4681 -32.9455 5.68005 -32.9454 19.6782 58.502 5.68008 58.502 -5.75969 GPRESSAVG: 424200 18.6146 -34.7356 5.23133 -33.4547 21.0192 57.8237 8.6993 58.2783 -6.53773 TIMING: 424200 CPU: 1334.72, 0.00319682/step Wall: 1334.72, 0.00319682/step, 4.06334 hours remaining, 235.253906 MB of memory in use. ENERGY: 424200 3995.5968 20403.2607 14491.7655 247.6555 -203405.5019 2621.7071 0.0000 0.0000 51966.9215 -109678.5948 298.6546 -161645.5163 -109308.0222 298.6544 37.6999 58.3899 762093.6149 11.1289 11.0320 LDB: ============= START OF LOAD BALANCING ============== 1347.18 LDB: ============== END OF LOAD BALANCING =============== 1347.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347.18 LDB: ============= START OF LOAD BALANCING ============== 1347.5 LDB: Largest compute 7026 load 0.035520 is 18.2% of average load 0.195006 LDB: Average compute 0.004378 is 2.2% of average load 0.195006 LDB: TIME 1347.5 LOAD: AVG 0.195006 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.508 MB LDB: TIME 1347.5 LOAD: AVG 0.195006 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: TIME 1347.5 LOAD: AVG 0.195006 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: ============== END OF LOAD BALANCING =============== 1347.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1347.51 PRESSURE: 424400 62.1784 -178.324 173.25 -178.324 -325.622 -273.666 173.25 -273.667 168.71 GPRESSURE: 424400 113.604 -80.9344 193.638 -169.109 -282.754 -284.176 97.0375 -313.177 153.338 PRESSAVG: 424400 -30.2294 -4.32996 -11.2234 -4.32993 40.8821 50.3046 -11.2234 50.3047 -7.09837 GPRESSAVG: 424400 -30.4422 -4.81228 -9.82727 -3.98097 40.7738 50.7411 -12.7419 47.1822 -6.48425 TIMING: 424400 CPU: 1335.37, 0.00325163/step Wall: 1335.37, 0.00325163/step, 4.13282 hours remaining, 234.484375 MB of memory in use. ENERGY: 424400 3991.4456 20448.7770 14535.3189 243.5478 -203532.6969 2605.2609 0.0000 0.0000 52066.3010 -109642.0457 299.2257 -161708.3467 -109277.2778 298.9161 -31.5781 -5.2704 763678.9351 1.1848 1.2824 PRESSURE: 424600 136.21 9.25958 -85.1408 9.2596 319.046 -128.67 -85.1411 -128.669 519.357 GPRESSURE: 424600 221.034 12.2436 -37.0251 -32.0029 231.632 -60.8507 -10.2517 -102.476 604.839 PRESSAVG: 424600 -1.61933 -42.6371 13.8965 -42.6371 48.9152 30.4686 13.8965 30.4686 18.5745 GPRESSAVG: 424600 -0.308143 -42.3191 14.4922 -42.2885 48.2899 30.5481 14.9462 33.1039 18.5873 TIMING: 424600 CPU: 1336, 0.00316037/step Wall: 1336, 0.00316037/step, 4.01666 hours remaining, 234.484375 MB of memory in use. ENERGY: 424600 3962.5691 20482.9303 14497.4299 246.9992 -204156.4047 3123.1946 0.0000 0.0000 52030.5994 -109812.6823 299.0206 -161843.2816 -109452.9225 299.0502 324.8709 352.5017 760757.7864 21.9568 22.1897 PRESSURE: 424800 -397.005 -20.3093 69.0675 -20.3095 -30.9499 -228.56 69.0673 -228.56 -35.7751 GPRESSURE: 424800 -212.454 94.898 -25.0932 123.262 -118.471 -347.792 11.4502 -144.676 -39.2608 PRESSAVG: 424800 -35.3142 -9.86911 13.1562 -9.86911 10.2504 34.6057 13.1563 34.6057 29.9764 GPRESSAVG: 424800 -35.5026 -9.25142 13.9627 -10.0619 10.2863 35.3485 12.7387 33.4965 29.5302 TIMING: 424800 CPU: 1336.63, 0.00314523/step Wall: 1336.63, 0.00314523/step, 3.99724 hours remaining, 234.484375 MB of memory in use. ENERGY: 424800 4049.9030 20531.8708 14493.1920 254.6120 -203635.7631 2484.7601 0.0000 0.0000 52092.5751 -109728.8502 299.3767 -161821.4253 -109365.1541 298.5664 -154.5767 -123.3952 760969.9771 1.6375 1.4380 PRESSURE: 425000 60.6946 1.59661 -62.9848 1.59628 -83.5738 -37.1753 -62.9849 -37.1744 -469.419 GPRESSURE: 425000 61.7738 63.2329 -76.0264 -47.7997 -77.4625 -45.3219 6.87506 -50.8758 -382.947 PRESSAVG: 425000 5.46874 -23.5555 -6.86142 -23.5554 36.3778 -4.00895 -6.86147 -4.00907 7.24912 GPRESSAVG: 425000 5.14858 -27.1128 -7.63802 -20.7254 37.0179 -2.9133 -7.61748 -5.06659 7.1954 TIMING: 425000 CPU: 1337.27, 0.00316306/step Wall: 1337.27, 0.00316306/step, 4.01972 hours remaining, 234.484375 MB of memory in use. ENERGY: 425000 3995.1699 20403.2577 14503.1222 242.0328 -203232.4279 2463.4068 0.0000 0.0000 52038.7410 -109586.6976 299.0674 -161625.4385 -109229.3501 298.7452 -164.0994 -132.8786 760727.6968 16.3652 16.4540 PRESSURE: 425200 -1.17997 -87.7567 -342.771 -87.7563 -222.76 -132.961 -342.772 -132.961 -389.62 GPRESSURE: 425200 -7.45639 -240.137 -366.532 -85.2536 -154.109 -151.272 -154.803 -89.0315 -384.746 PRESSAVG: 425200 2.32209 -91.3989 -77.1182 -91.3989 10.0967 21.9761 -77.1183 21.9761 3.00983 GPRESSAVG: 425200 2.97521 -89.4883 -76.9618 -93.8083 8.74855 20.2155 -77.0275 22.1343 3.45971 TIMING: 425200 CPU: 1337.9, 0.00316116/step Wall: 1337.9, 0.00316116/step, 4.01713 hours remaining, 234.484375 MB of memory in use. ENERGY: 425200 4068.6876 20665.5704 14449.9127 223.9816 -203289.0694 2464.9613 0.0000 0.0000 51980.7364 -109435.2194 298.7340 -161415.9558 -109085.2785 299.2121 -204.5200 -182.1040 764218.3520 5.1429 5.0612 PRESSURE: 425400 149.824 170.928 -154.543 170.927 87.6835 61.0538 -154.543 61.0535 379.911 GPRESSURE: 425400 151.759 58.0558 -293.236 136.975 178.793 -16.1915 -249.816 42.3318 358.877 PRESSAVG: 425400 -25.8356 -56.8888 -70.3996 -56.8888 -9.06813 35.4095 -70.3996 35.4096 10.4824 GPRESSAVG: 425400 -26.215 -57.4128 -71.5017 -56.6149 -7.00594 36.4125 -69.8969 37.3521 10.116 TIMING: 425400 CPU: 1338.52, 0.00312535/step Wall: 1338.52, 0.00312535/step, 3.97145 hours remaining, 234.484375 MB of memory in use. ENERGY: 425400 3952.3242 20581.0028 14398.8099 251.7178 -203688.0121 3077.5858 0.0000 0.0000 52063.2594 -109363.3121 299.2083 -161426.5716 -109001.9993 298.8279 205.8061 229.8093 762427.0659 -8.1405 -7.7016 PRESSURE: 425600 122.125 109.792 119.547 109.792 -46.6549 194.404 119.548 194.403 -134.257 GPRESSURE: 425600 140.242 152.087 121.982 43.9261 28.0293 63.2916 125.851 204.184 -132.05 PRESSAVG: 425600 -18.7435 -34.2017 -5.86678 -34.2017 43.0614 -18.7646 -5.86684 -18.7645 -7.95332 GPRESSAVG: 425600 -19.4483 -32.1501 -6.07288 -35.5506 42.8821 -20.9761 -4.48937 -19.1015 -6.61404 TIMING: 425600 CPU: 1339.15, 0.00315007/step Wall: 1339.15, 0.00315007/step, 4.00269 hours remaining, 234.484375 MB of memory in use. ENERGY: 425600 3980.3401 20706.6660 14471.9006 250.0073 -203617.2402 2889.2367 0.0000 0.0000 51928.0394 -109391.0501 298.4312 -161319.0895 -109025.2196 299.3453 -19.5957 12.0736 763045.3028 5.4549 5.6066 PRESSURE: 425800 -321.151 -25.465 -135.181 -25.4658 -1.43755 155.462 -135.181 155.462 -38.2158 GPRESSURE: 425800 -140.717 -64.0367 -137.894 -88.4653 -20.0933 144.557 -198.402 174.905 -104.37 PRESSAVG: 425800 -22.0794 27.0451 -13.5971 27.0451 27.5527 -23.612 -13.597 -23.612 -2.29865 GPRESSAVG: 425800 -21.065 24.0959 -12.3153 25.8064 28.1967 -20.9654 -15.017 -25.7117 -3.7415 TIMING: 425800 CPU: 1339.78, 0.003142/step Wall: 1339.78, 0.003142/step, 3.99226 hours remaining, 234.484375 MB of memory in use. ENERGY: 425800 4016.6489 20515.9037 14509.7737 269.9204 -203295.2670 2525.1478 0.0000 0.0000 52198.2181 -109259.6544 299.9839 -161457.8725 -108904.4445 299.6239 -120.2680 -88.3936 762658.2983 1.0582 1.1301 PRESSURE: 426000 262.655 5.13056 141.453 5.1304 395.322 177.99 141.454 177.989 268.056 GPRESSURE: 426000 320.152 20.7933 54.3107 48.7561 484.506 9.39167 75.6774 139.765 211.189 PRESSAVG: 426000 15.8185 -32.0432 11.798 -32.0432 -20.1298 23.3655 11.798 23.3655 2.19301 GPRESSAVG: 426000 17.8719 -31.9891 9.85571 -31.3801 -22.6369 21.7075 12.3366 26.2829 2.96348 TIMING: 426000 CPU: 1340.41, 0.00314715/step Wall: 1340.41, 0.00314715/step, 3.99863 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: 426000 3956.0501 20372.4648 14425.7019 257.8196 -203618.7540 2859.8413 0.0000 0.0000 52310.5301 -109436.3462 300.6293 -161746.8763 -109072.3120 299.4954 308.6776 338.6153 762199.5464 -0.7061 -0.6005 PRESSURE: 426200 168.708 115.423 137.29 115.424 337.194 -95.1233 137.289 -95.1236 -97.9425 GPRESSURE: 426200 50.218 111.024 156.623 19.2091 450.95 -45.148 54.8455 -81.0682 -26.7233 PRESSAVG: 426200 -17.9394 35.3863 13.6422 35.3863 49.9658 18.3629 13.6422 18.3628 -7.32693 GPRESSAVG: 426200 -19.7143 36.2332 14.3648 35.3645 51.8868 17.9339 12.8816 18.2605 -7.50758 TIMING: 426200 CPU: 1341.04, 0.00314177/step Wall: 1341.04, 0.00314177/step, 3.99161 hours remaining, 234.484375 MB of memory in use. ENERGY: 426200 4017.4808 20503.3621 14425.9676 255.8256 -203082.0937 2664.9264 0.0000 0.0000 52208.1766 -109006.3547 300.0411 -161214.5313 -108653.8810 299.7844 135.9865 158.1483 762723.5227 8.2332 8.2216 PRESSURE: 426400 -329.275 85.6321 83.263 85.632 2.39754 -47.0271 83.2635 -47.026 -612.978 GPRESSURE: 426400 -326.593 195.959 111.348 93.5802 57.3547 12.5823 -5.30724 103.784 -570.713 PRESSAVG: 426400 -47.6222 36.8664 20.5652 36.8664 31.1055 -4.48503 20.5652 -4.48509 -7.91854 GPRESSAVG: 426400 -47.8787 36.7509 19.5206 36.9198 31.4183 -3.90502 21.237 -5.62883 -7.73611 TIMING: 426400 CPU: 1341.67, 0.0031333/step Wall: 1341.67, 0.0031333/step, 3.98069 hours remaining, 234.484375 MB of memory in use. ENERGY: 426400 4061.5221 20411.6698 14392.0448 222.3613 -202856.3245 2561.4593 0.0000 0.0000 52149.0015 -109058.2658 299.7010 -161207.2673 -108689.4299 299.6684 -313.2850 -279.9837 764835.8498 -8.1451 -8.0655 PRESSURE: 426600 -74.9711 57.2628 -24.2161 57.2636 124.191 66.4495 -24.2159 66.4497 122.064 GPRESSURE: 426600 -79.5234 183.076 -1.14097 69.6945 167.021 32.9197 14.6905 -7.84625 170.188 PRESSAVG: 426600 22.3822 -7.14286 -50.1198 -7.14293 -17.5681 -11.52 -50.1197 -11.5199 -9.25459 GPRESSAVG: 426600 23.0771 -6.31521 -49.218 -7.52342 -17.8694 -10.5032 -50.7022 -12.3303 -9.59453 TIMING: 426600 CPU: 1342.3, 0.00315903/step Wall: 1342.3, 0.00315903/step, 4.01319 hours remaining, 234.484375 MB of memory in use. ENERGY: 426600 3976.8933 20554.6968 14476.0645 243.0055 -203267.2805 2773.4157 0.0000 0.0000 52157.0808 -109086.1240 299.7475 -161243.2048 -108715.0234 300.1926 57.0948 85.8953 762957.5098 -1.4801 -1.4623 PRESSURE: 426800 -90.0112 42.195 -82.6687 42.194 312.324 -68.3704 -82.6688 -68.3691 430.433 GPRESSURE: 426800 -32.8845 85.177 -103.701 -52.8636 309.77 -104.135 -71.3753 -32.602 446.266 PRESSAVG: 426800 -11.5718 -31.9675 -40.8554 -31.9676 25.5762 -17.7659 -40.8554 -17.7658 -13.4275 GPRESSAVG: 426800 -12.8389 -32.9841 -40.1847 -31.4389 26.0555 -16.6663 -41.7655 -18.2969 -13.0657 TIMING: 426800 CPU: 1342.93, 0.00317418/step Wall: 1342.93, 0.00317418/step, 4.03226 hours remaining, 234.484375 MB of memory in use. ENERGY: 426800 3894.7673 20705.0435 14403.1675 235.9046 -203164.3298 2666.5833 0.0000 0.0000 52224.2691 -109034.5945 300.1336 -161258.8636 -108669.4492 299.8480 217.5821 241.0503 761069.5189 0.1923 0.0503 PRESSURE: 427000 -44.0444 -163.897 -121.798 -163.897 -252.584 -19.8833 -121.799 -19.8822 22.1999 GPRESSURE: 427000 0.406921 -168.609 -158.614 -95.056 -185.458 56.6394 -17.1868 -83.8249 -23.3584 PRESSAVG: 427000 7.41077 -31.0906 -50.3052 -31.0906 -58.3602 -37.7962 -50.3052 -37.7961 -6.82789 GPRESSAVG: 427000 7.36138 -31.8092 -49.9969 -28.6962 -58.0908 -38.9827 -49.1897 -38.7313 -6.54852 TIMING: 427000 CPU: 1343.56, 0.00314295/step Wall: 1343.56, 0.00314295/step, 3.99242 hours remaining, 234.484375 MB of memory in use. ENERGY: 427000 3958.6479 20394.8383 14514.5379 252.7988 -202820.6733 2437.1498 0.0000 0.0000 52223.9162 -109038.7845 300.1316 -161262.7007 -108682.4220 300.1099 -91.4762 -69.4699 762450.4268 -19.2591 -19.0927 PRESSURE: 427200 303.59 -147.356 -50.5852 -147.356 -426.055 -117.149 -50.5843 -117.15 -5.85136 GPRESSURE: 427200 284.134 -115.178 -76.4793 -120.552 -362.721 -33.1869 9.87642 -50.8075 47.0778 PRESSAVG: 427200 42.3069 -4.81094 27.8023 -4.81093 -52.1081 16.6262 27.8024 16.6261 2.66348 GPRESSAVG: 427200 42.083 -3.0217 28.2534 -5.65021 -51.8625 16.2496 29.0062 19.5465 3.27785 TIMING: 427200 CPU: 1344.19, 0.00314156/step Wall: 1344.19, 0.00314156/step, 3.99048 hours remaining, 234.484375 MB of memory in use. ENERGY: 427200 4002.8684 20441.7819 14461.9208 242.6473 -203339.3715 2844.7434 0.0000 0.0000 52312.0568 -109033.3529 300.6381 -161345.4097 -108659.9240 299.3575 -42.7719 -10.5029 762989.4393 -2.3792 -2.1672 PRESSURE: 427400 -49.5444 -131.052 -2.63585 -131.052 287.619 105.403 -2.63642 105.402 127.635 GPRESSURE: 427400 58.0922 -138.517 -160.532 8.90239 306.638 119.92 -99.5954 23.4016 82.1582 PRESSAVG: 427400 84.6445 -47.2601 28.4127 -47.2602 -40.3798 -17.2998 28.4127 -17.2998 -11.9908 GPRESSAVG: 427400 85.7652 -47.4984 28.554 -47.2993 -41.0927 -15.8327 26.3833 -19.4693 -12.3359 TIMING: 427400 CPU: 1344.82, 0.00314469/step Wall: 1344.82, 0.00314469/step, 3.99428 hours remaining, 234.484375 MB of memory in use. ENERGY: 427400 3991.4529 20452.9759 14518.2603 232.9167 -203347.3038 2913.3710 0.0000 0.0000 52195.6953 -109042.6315 299.9694 -161238.3268 -108680.2800 300.3182 121.9033 148.9627 760575.2198 10.7580 10.7789 PRESSURE: 427600 -219.993 199.079 133.577 199.079 -200.951 65.0111 133.577 65.0108 -109.29 GPRESSURE: 427600 -220.422 253.763 169.296 74.1791 -194.074 -3.05706 -72.623 4.65295 -23.3181 PRESSAVG: 427600 26.0634 -4.04367 -1.55772 -4.04371 -11.7188 -11.9393 -1.55764 -11.9393 12.9543 GPRESSAVG: 427600 26.4485 -5.32236 -2.09427 -5.31799 -11.8815 -11.924 -2.96368 -9.759 12.5305 TIMING: 427600 CPU: 1345.45, 0.00314617/step Wall: 1345.45, 0.00314617/step, 3.99599 hours remaining, 234.484375 MB of memory in use. ENERGY: 427600 4068.2438 20608.5115 14517.7568 235.5310 -202867.8654 2352.4339 0.0000 0.0000 52170.6318 -108914.7567 299.8253 -161085.3885 -108563.1694 300.2242 -176.7449 -145.9380 762022.1056 9.0997 9.0325 PRESSURE: 427800 191.651 30.4587 -56.5935 30.4594 73.439 189.509 -56.5931 189.509 -56.6834 GPRESSURE: 427800 207.24 4.54003 -97.818 -75.7798 146.196 230.394 51.8885 180.311 -47.911 PRESSAVG: 427800 49.8319 -24.1613 -57.579 -24.1613 -52.5656 -16.4472 -57.5791 -16.4472 -3.83307 GPRESSAVG: 427800 49.5222 -24.6143 -56.9513 -25.3773 -52.502 -17.6197 -56.0956 -17.4659 -3.44736 TIMING: 427800 CPU: 1346.08, 0.00315302/step Wall: 1346.08, 0.00315302/step, 4.00451 hours remaining, 234.484375 MB of memory in use. ENERGY: 427800 3983.7601 20576.7405 14527.6476 252.6388 -202607.4662 2328.7863 0.0000 0.0000 52023.5274 -108914.3655 298.9799 -160937.8929 -108563.1479 300.0748 69.4690 101.8417 758457.6223 -2.1889 -2.1424 PRESSURE: 428000 -166.344 -39.2752 110.446 -39.2755 -352.684 -53.0353 110.447 -53.0356 -77.0068 GPRESSURE: 428000 -125.863 -125.084 105.192 -2.50065 -318.282 -45.1485 50.6226 -7.14322 -51.7611 PRESSAVG: 428000 -9.79367 -36.7577 9.4637 -36.7577 -61.8529 -30.0788 9.46374 -30.0789 2.3156 GPRESSAVG: 428000 -10.1165 -36.1278 9.29019 -35.7836 -61.7939 -28.2606 9.39478 -29.9172 2.56992 TIMING: 428000 CPU: 1346.71, 0.00316774/step Wall: 1346.71, 0.00316774/step, 4.02303 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: 428000 3971.1653 20469.3138 14490.0621 253.3354 -202459.5620 2270.7440 0.0000 0.0000 52215.1490 -108789.7926 300.0812 -161004.9416 -108423.9472 300.4105 -198.6782 -165.3020 761657.8766 -23.1103 -23.1135 PRESSURE: 428200 17.2111 -73.9731 62.5284 -73.9737 10.7442 -355.192 62.5288 -355.192 5.68873 GPRESSURE: 428200 -24.4332 -164.778 89.8453 -38.4444 80.6356 -324.577 136.064 -337.51 67.9772 PRESSAVG: 428200 7.34188 0.868394 -5.84805 0.868344 7.20848 32.0742 -5.8481 32.0742 -10.1174 GPRESSAVG: 428200 7.38497 0.653312 -4.11272 1.25291 6.90451 29.8814 -4.85871 31.8258 -9.41411 TIMING: 428200 CPU: 1347.34, 0.00316068/step Wall: 1347.34, 0.00316068/step, 4.01389 hours remaining, 234.484375 MB of memory in use. ENERGY: 428200 3956.1084 20522.1331 14568.9687 247.1904 -203412.1870 2731.4734 0.0000 0.0000 52432.0437 -108954.2693 301.3277 -161386.3130 -108599.4876 300.6878 11.2147 41.3932 761935.5887 1.4777 1.6251 LDB: ============= START OF LOAD BALANCING ============== 1359.8 LDB: ============== END OF LOAD BALANCING =============== 1359.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1359.8 LDB: ============= START OF LOAD BALANCING ============== 1360.12 LDB: Largest compute 7026 load 0.035368 is 18.1% of average load 0.194970 LDB: Average compute 0.004409 is 2.3% of average load 0.194970 LDB: TIME 1360.12 LOAD: AVG 0.19497 MAX 0.212397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1360.12 LOAD: AVG 0.19497 MAX 0.212397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 1360.12 LOAD: AVG 0.19497 MAX 0.212397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 1360.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1360.13 PRESSURE: 428400 -72.2481 -45.2858 54.559 -45.2859 -490.253 252.965 54.5594 252.967 197.671 GPRESSURE: 428400 -16.2389 -212.13 65.7244 -79.5802 -481.394 237.19 46.6528 223.809 205.545 PRESSAVG: 428400 21.465 -13.4661 11.9301 -13.4661 -13.2241 47.3883 11.93 47.3884 1.41686 GPRESSAVG: 428400 21.1794 -14.1107 11.6022 -14.9308 -12.5213 47.2313 12.2078 49.3199 1.14203 TIMING: 428400 CPU: 1347.99, 0.00323174/step Wall: 1347.99, 0.00323174/step, 4.10396 hours remaining, 234.281250 MB of memory in use. ENERGY: 428400 3987.2304 20595.7703 14443.5983 239.9374 -203154.5540 2499.7115 0.0000 0.0000 52372.5690 -109015.7370 300.9859 -161388.3060 -108655.5314 300.5462 -121.6100 -97.3627 763156.0964 3.2192 3.2667 PRESSURE: 428600 361.389 48.0795 57.5719 48.0794 -217.75 89.0959 57.5715 89.096 19.1998 GPRESSURE: 428600 233.563 64.2567 31.492 -152.776 -114.582 157.287 -26.3791 89.6275 124.378 PRESSAVG: 428600 82.4362 -16.7794 -4.66602 -16.7794 -1.13528 19.7275 -4.66595 19.7275 10.2747 GPRESSAVG: 428600 83.4592 -16.4866 -5.40662 -16.5302 -1.54387 20.7839 -6.04137 18.5602 9.36175 TIMING: 428600 CPU: 1348.62, 0.00316354/step Wall: 1348.62, 0.00316354/step, 4.01716 hours remaining, 234.484375 MB of memory in use. ENERGY: 428600 4003.6713 20492.3302 14531.1822 254.8477 -203327.2695 2923.8644 0.0000 0.0000 52300.5929 -108820.7808 300.5722 -161121.3737 -108452.0065 300.7869 54.2795 81.1197 761758.6716 30.5252 30.4257 PRESSURE: 428800 -180.548 32.6644 -158.661 32.6628 -64.4094 -71.96 -158.661 -71.9593 -355.87 GPRESSURE: 428800 -33.7273 -108.814 -236.621 148.004 -80.7699 -203.568 12.123 -40.6411 -397.781 PRESSAVG: 428800 -11.3316 -7.07528 -41.5469 -7.07526 11.4748 -2.49861 -41.5469 -2.49864 -16.315 GPRESSAVG: 428800 -12.7618 -8.74479 -42.603 -5.89105 12.2089 -1.28421 -40.7669 -4.99077 -16.2508 TIMING: 428800 CPU: 1349.26, 0.00318661/step Wall: 1349.26, 0.00318661/step, 4.04628 hours remaining, 234.484375 MB of memory in use. ENERGY: 428800 4010.2479 20748.5207 14421.6384 259.0674 -203067.8524 2328.9416 0.0000 0.0000 52285.9237 -109013.5126 300.4879 -161299.4363 -108640.9846 300.5123 -200.2758 -170.7595 762424.0693 -5.3906 -5.6012 PRESSURE: 429000 89.0697 75.8209 146.262 75.821 -249.812 24.8367 146.261 24.8379 257.649 GPRESSURE: 429000 158.827 29.3807 193.119 83.0492 -216.288 83.059 196.368 157.853 233.226 PRESSAVG: 429000 -9.91882 -13.1207 -8.25021 -13.1207 -12.9609 41.049 -8.25017 41.0491 3.76141 GPRESSAVG: 429000 -8.66733 -11.2836 -6.51623 -14.3666 -13.3044 39.8516 -9.36793 44.1557 2.8728 TIMING: 429000 CPU: 1349.89, 0.0031693/step Wall: 1349.89, 0.0031693/step, 4.02413 hours remaining, 234.484375 MB of memory in use. ENERGY: 429000 4000.2052 20618.4988 14430.3182 242.5369 -203000.0610 2749.2643 0.0000 0.0000 52004.4156 -108954.8220 298.8701 -160959.2376 -108593.8552 300.1042 32.3022 58.5886 762646.0904 -6.3728 -6.3663 PRESSURE: 429200 -3.19365 -124.76 205.58 -124.76 -139.102 79.6092 205.58 79.609 430.85 GPRESSURE: 429200 95.7425 -124.08 223.597 -66.6744 -87.1028 36.7423 155.254 79.7153 358.765 PRESSAVG: 429200 13.3951 -0.252839 -22.226 -0.252845 24.7007 14.4875 -22.2261 14.4875 10.9596 GPRESSAVG: 429200 13.3346 -2.83569 -21.5159 0.588546 24.5722 14.5503 -21.2792 13.6421 10.656 TIMING: 429200 CPU: 1350.53, 0.00317917/step Wall: 1350.53, 0.00317917/step, 4.03648 hours remaining, 234.484375 MB of memory in use. ENERGY: 429200 3975.4104 20566.0111 14373.7484 254.2948 -202897.6297 2568.4349 0.0000 0.0000 51920.9780 -109238.7521 298.3906 -161159.7301 -108879.8795 299.5313 96.1850 122.4683 764138.6770 16.3518 16.1876 PRESSURE: 429400 89.8888 -27.7693 33.6287 -27.7693 353.617 85.8815 33.6297 85.882 -197.187 GPRESSURE: 429400 296.166 42.4626 17.6327 -78.3755 230.133 129.809 50.7434 32.2932 -190.559 PRESSAVG: 429400 20.4084 -46.8067 -60.2881 -46.8067 -45.2365 28.7979 -60.2881 28.7978 -10.1884 GPRESSAVG: 429400 20.809 -44.807 -60.9171 -46.706 -45.5605 27.2384 -60.6551 28.6272 -10.099 TIMING: 429400 CPU: 1351.17, 0.00318644/step Wall: 1351.17, 0.00318644/step, 4.04554 hours remaining, 234.484375 MB of memory in use. ENERGY: 429400 4001.1888 20433.7519 14444.0416 255.9579 -203590.7360 2796.6005 0.0000 0.0000 52259.5041 -109399.6911 300.3361 -161659.1952 -109038.7228 299.5898 82.1063 111.9135 762296.7364 -11.6722 -11.6168 PRESSURE: 429600 -9.38278 -295.316 18.6318 -295.315 10.9215 138.604 18.6324 138.604 501.798 GPRESSURE: 429600 20.2239 -266.227 78.6899 -116.255 76.0402 167.826 -22.9091 56.3645 489.567 PRESSAVG: 429600 -25.6533 -91.9898 -34.6837 -91.9898 -39.3796 -8.6763 -34.6837 -8.67623 -11.3979 GPRESSAVG: 429600 -26.8343 -90.9847 -35.0116 -93.7227 -39.3119 -6.78747 -35.6591 -10.2572 -10.1344 TIMING: 429600 CPU: 1351.8, 0.00318855/step Wall: 1351.8, 0.00318855/step, 4.04804 hours remaining, 234.484375 MB of memory in use. ENERGY: 429600 3943.0940 20555.9892 14372.0900 255.9753 -203322.4729 2773.8899 0.0000 0.0000 52081.4410 -109339.9936 299.3128 -161421.4346 -108977.4694 299.5139 167.7790 195.2772 763406.3099 -25.4769 -25.4269 PRESSURE: 429800 157.385 85.9584 -34.5476 85.9586 217.726 -113.752 -34.5471 -113.752 -64.1977 GPRESSURE: 429800 147.16 23.0724 -76.6158 94.637 273.192 -75.0412 157.059 -84.9185 2.79881 PRESSAVG: 429800 -12.7468 -91.7743 -72.9553 -91.7742 -14.5205 39.7928 -72.9553 39.7928 6.91233 GPRESSAVG: 429800 -12.0079 -91.2631 -74.0071 -90.142 -14.3782 39.8159 -70.752 40.183 6.45444 TIMING: 429800 CPU: 1352.44, 0.00317873/step Wall: 1352.44, 0.00317873/step, 4.03539 hours remaining, 234.484375 MB of memory in use. ENERGY: 429800 3997.4756 20458.4237 14509.2475 227.9718 -203315.8393 2613.3918 0.0000 0.0000 52047.1975 -109462.1315 299.1160 -161509.3290 -109095.1322 299.1142 103.6377 141.0506 762603.9358 -6.7850 -6.6439 PRESSURE: 430000 -212.231 -219.84 -54.0878 -219.841 -551.949 -0.521709 -54.0879 -0.522397 -194.028 GPRESSURE: 430000 -127.659 -261.458 -73.6726 -118.518 -562.75 -13.049 -120.057 -16.6146 -204.543 PRESSAVG: 430000 2.99355 -69.6454 53.2213 -69.6454 -44.1107 19.184 53.2213 19.1839 -4.8873 GPRESSAVG: 430000 3.18494 -71.5551 54.3187 -70.6283 -44.6909 19.3662 52.6318 19.8373 -4.8618 TIMING: 430000 CPU: 1353.08, 0.00317232/step Wall: 1353.08, 0.00317232/step, 4.02709 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: 430000 3988.8160 20549.8802 14489.4212 242.0614 -203228.3416 2493.5219 0.0000 0.0000 51806.0278 -109658.6131 297.7300 -161464.6409 -109292.0662 298.8413 -319.4025 -298.3176 763548.1960 -15.3348 -15.4559 PRESSURE: 430200 -290.099 34.3716 60.2162 34.3713 -5.17841 -127.114 60.2163 -127.114 245.866 GPRESSURE: 430200 -243.082 49.1208 3.32577 91.1396 84.8781 -83.7267 66.9965 -228.521 184.997 PRESSAVG: 430200 15.8947 -36.4895 30.1072 -36.4895 24.6826 29.0963 30.1072 29.0962 12.0807 GPRESSAVG: 430200 15.4159 -35.7159 29.3631 -37.0147 26.0255 29.3819 29.1266 29.6684 11.0686 TIMING: 430200 CPU: 1353.71, 0.00315726/step Wall: 1353.71, 0.00315726/step, 4.00778 hours remaining, 234.484375 MB of memory in use. ENERGY: 430200 3968.0728 20652.2439 14383.9348 237.1685 -203465.1407 2684.7519 0.0000 0.0000 51696.2621 -109842.7068 297.0991 -161538.9689 -109493.8784 298.3886 -16.4705 8.9311 761760.3099 17.5527 17.5033 PRESSURE: 430400 -66.3497 0.783097 191.175 0.782297 -34.7735 151.048 191.174 151.048 16.1706 GPRESSURE: 430400 -116.439 22.7186 172.787 31.9585 104.632 209.567 73.9141 145.043 -13.8656 PRESSAVG: 430400 26.1698 -40.4024 7.37553 -40.4024 -16.98 -14.073 7.37551 -14.073 -30.1518 GPRESSAVG: 430400 25.4999 -39.0282 7.26396 -39.3284 -17.558 -12.7517 9.71908 -14.6295 -28.7861 TIMING: 430400 CPU: 1354.35, 0.0031968/step Wall: 1354.35, 0.0031968/step, 4.05781 hours remaining, 234.484375 MB of memory in use. ENERGY: 430400 3998.1277 20646.7274 14496.3638 250.6978 -203629.8652 2780.9217 0.0000 0.0000 51927.7086 -109529.3182 298.4293 -161457.0268 -109168.9189 298.4756 -28.3175 -8.5575 762586.5243 -6.9873 -6.9481 PRESSURE: 430600 326.188 124.088 53.8752 124.089 377.305 179.832 53.8759 179.832 222.794 GPRESSURE: 430600 367.37 153.959 -1.47836 89.3331 441.751 196.77 -18.4709 23.9008 200.125 PRESSAVG: 430600 9.62803 -26.3331 0.851743 -26.3331 -13.4878 3.65992 0.851736 3.65998 12.0304 GPRESSAVG: 430600 8.85487 -28.2524 0.590839 -27.6187 -11.8769 1.3261 -0.224246 1.32172 10.844 TIMING: 430600 CPU: 1354.97, 0.00314508/step Wall: 1354.97, 0.00314508/step, 3.99198 hours remaining, 234.484375 MB of memory in use. ENERGY: 430600 3992.7519 20619.7464 14464.9862 258.7745 -203959.3786 3015.2273 0.0000 0.0000 51946.5849 -109661.3073 298.5377 -161607.8922 -109295.0747 298.7704 308.7621 336.4152 760756.0346 2.7235 2.6073 PRESSURE: 430800 -252 39.7113 173.31 39.7126 45.4997 -239.712 173.31 -239.712 207.548 GPRESSURE: 430800 -171.999 85.017 123.837 -69.2297 50.8241 -222.048 228.532 -241.441 221.634 PRESSAVG: 430800 18.0367 -55.2492 7.26331 -55.2492 4.95653 7.72328 7.26338 7.72332 21.0311 GPRESSAVG: 430800 19.7688 -54.3209 8.42493 -53.4577 2.71229 9.28952 7.94014 7.33459 21.4865 TIMING: 430800 CPU: 1355.6, 0.0031447/step Wall: 1355.6, 0.0031447/step, 3.99132 hours remaining, 234.484375 MB of memory in use. ENERGY: 430800 4000.1882 20420.1304 14514.3661 254.5514 -203380.6744 2672.4446 0.0000 0.0000 51949.8524 -109569.1414 298.5565 -161518.9938 -109216.3309 298.4121 0.3494 33.4863 761725.9379 14.6748 14.6559 PRESSURE: 431000 364.601 -202.218 168.822 -202.217 57.3278 -402.496 168.821 -402.497 120.228 GPRESSURE: 431000 309.483 -212.105 30.0356 -218.575 176.895 -374.658 293.144 -365.548 144.285 PRESSAVG: 431000 0.52553 -17.9682 7.37403 -17.9681 -11.2674 -20.5924 7.37405 -20.5923 -18.0624 GPRESSAVG: 431000 -0.365992 -16.6989 6.82637 -19.1474 -10.8018 -20.6872 6.7643 -18.7371 -17.55 TIMING: 431000 CPU: 1356.24, 0.0031614/step Wall: 1356.24, 0.0031614/step, 4.01235 hours remaining, 234.484375 MB of memory in use. ENERGY: 431000 3963.0031 20457.2614 14446.4003 254.1837 -203373.7162 2650.3086 0.0000 0.0000 52075.2250 -109527.3341 299.2770 -161602.5591 -109168.3354 298.7636 180.7191 210.2209 762623.5909 -9.6014 -9.5726 PRESSURE: 431200 -195.253 -60.3245 -15.903 -60.3248 -313.617 83.8485 -15.9034 83.8491 -530.049 GPRESSURE: 431200 -252.407 -35.4647 -54.2758 -75.6273 -201.31 143.263 -50.6055 16.8013 -498.532 PRESSAVG: 431200 -37.2371 -13.8388 6.30501 -13.8388 38.141 -4.09682 6.30504 -4.09681 10.0839 GPRESSAVG: 431200 -36.9068 -16.0646 6.40993 -13.6 38.8823 -4.03228 6.51849 -3.94501 9.38324 TIMING: 431200 CPU: 1356.87, 0.00315867/step Wall: 1356.87, 0.00315867/step, 4.0087 hours remaining, 234.484375 MB of memory in use. ENERGY: 431200 4012.6962 20523.0225 14450.4261 231.0414 -203270.2163 2607.0565 0.0000 0.0000 52067.4663 -109378.5072 299.2324 -161445.9735 -109019.6086 298.8177 -346.3064 -317.4164 764692.7144 3.6626 3.7862 PRESSURE: 431400 -117.138 40.4603 -38.0115 40.4605 -442.02 -51.9169 -38.0112 -51.9185 -143.581 GPRESSURE: 431400 -121.423 139.986 -48.6177 148.518 -270.112 -77.3686 -48.9283 -149.556 -235.074 PRESSAVG: 431400 -12.6856 -15.0236 41.6596 -15.0235 -25.6683 43.2807 41.6595 43.2808 -0.0452745 GPRESSAVG: 431400 -12.0548 -13.0513 41.1095 -16.5261 -26.1059 43.6725 42.3177 43.5044 -0.395235 TIMING: 431400 CPU: 1357.5, 0.00313913/step Wall: 1357.5, 0.00313913/step, 3.98373 hours remaining, 234.484375 MB of memory in use. ENERGY: 431400 3989.3508 20575.1046 14526.9104 245.3082 -202887.9390 2331.4687 0.0000 0.0000 51870.0979 -109349.6985 298.0982 -161219.7963 -108982.1377 299.3128 -234.2461 -208.8692 762676.5183 -12.7997 -12.8520 PRESSURE: 431600 -74.0093 -134.382 33.2875 -134.381 84.9691 18.322 33.2876 18.3217 -508.946 GPRESSURE: 431600 -41.6823 -71.5992 0.753377 -165.13 118.091 -10.8969 44.1158 -17.5204 -471.974 PRESSAVG: 431600 31.0396 18.9022 -27.797 18.9022 -0.865718 19.3873 -27.797 19.3872 -38.4937 GPRESSAVG: 431600 30.6259 18.1623 -27.3351 18.8431 -0.612189 19.3862 -26.9694 18.6581 -38.3467 TIMING: 431600 CPU: 1358.12, 0.00314405/step Wall: 1358.12, 0.00314405/step, 3.98979 hours remaining, 234.484375 MB of memory in use. ENERGY: 431600 4027.7027 20505.0289 14568.9067 252.7236 -202616.2693 2062.9817 0.0000 0.0000 51738.2063 -109460.7193 297.3402 -161198.9257 -109107.8919 299.2270 -165.9953 -131.8552 762332.9840 -2.7733 -2.7777 PRESSURE: 431800 -154.238 64.6758 -128.093 64.6762 -170.054 108.822 -128.093 108.822 2.08307 GPRESSURE: 431800 -45.7169 -9.03554 -121.222 66.4025 -127.303 106.928 -101.106 173.883 -51.9443 PRESSAVG: 431800 -13.8222 -6.8789 34.9494 -6.87893 0.177406 36.1544 34.9494 36.1544 -10.4082 GPRESSAVG: 431800 -14.9226 -8.12664 35.7717 -8.18438 0.596179 34.8972 32.0311 37.815 -9.84285 TIMING: 431800 CPU: 1358.75, 0.00314704/step Wall: 1358.75, 0.00314704/step, 3.99342 hours remaining, 234.484375 MB of memory in use. ENERGY: 431800 3941.1478 20544.1129 14441.8165 225.7567 -203325.2208 2554.5491 0.0000 0.0000 51943.9764 -109673.8612 298.5227 -161617.8376 -109308.8962 298.5043 -107.4029 -74.9882 762117.6082 -8.0177 -8.0564 PRESSURE: 432000 -146.574 -47.0399 215.686 -47.0398 250.171 -182.564 215.687 -182.564 -488.906 GPRESSURE: 432000 -82.6246 -139.748 270.836 -47.4838 187.039 -272.212 172.283 -28.7944 -421.592 PRESSAVG: 432000 -68.9881 -27.1757 26.0018 -27.1758 78.425 5.47058 26.0018 5.47049 5.8131 GPRESSAVG: 432000 -67.6316 -25.0408 26.6606 -25.0198 77.4529 5.26354 25.9344 5.95611 5.72934 TIMING: 432000 CPU: 1359.38, 0.00314012/step Wall: 1359.38, 0.00314012/step, 3.98447 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: 432000 3934.7539 20445.8849 14454.4325 235.3337 -203458.5490 2637.5583 0.0000 0.0000 52040.3293 -109710.2563 299.0765 -161750.5856 -109355.8268 298.6731 -128.4363 -105.7259 762673.9114 5.0833 5.1835 PRESSURE: 432200 405.693 -81.9705 -2.36444 -81.9703 -193.16 -195.467 -2.36433 -195.467 -111.966 GPRESSURE: 432200 324.361 -85.7139 46.5952 13.9158 -115.891 -192.138 -117.654 26.6322 -20.7737 PRESSAVG: 432200 4.35309 11.2318 -35.3253 11.2318 35.8777 3.12148 -35.3254 3.12139 2.92469 GPRESSAVG: 432200 4.65662 10.7038 -36.1766 9.57618 35.3423 3.04618 -34.3814 1.62278 3.40624 TIMING: 432200 CPU: 1360.01, 0.00313993/step Wall: 1360.01, 0.00313993/step, 3.98404 hours remaining, 234.484375 MB of memory in use. ENERGY: 432200 3973.7446 20689.8968 14431.2115 232.8758 -203486.3333 2692.9821 0.0000 0.0000 52073.5105 -109392.1121 299.2672 -161465.6226 -109046.1068 298.9479 33.5223 62.5654 760975.2565 14.3851 14.4684 LDB: ============= START OF LOAD BALANCING ============== 1372.46 LDB: ============== END OF LOAD BALANCING =============== 1372.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1372.46 LDB: ============= START OF LOAD BALANCING ============== 1372.78 LDB: Largest compute 7026 load 0.035960 is 18.4% of average load 0.195031 LDB: Average compute 0.004402 is 2.3% of average load 0.195031 LDB: TIME 1372.78 LOAD: AVG 0.195031 MAX 0.213834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.82 MB LDB: TIME 1372.78 LOAD: AVG 0.195031 MAX 0.213834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.023 MB LDB: TIME 1372.78 LOAD: AVG 0.195031 MAX 0.213834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.023 MB LDB: ============== END OF LOAD BALANCING =============== 1372.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1372.79 PRESSURE: 432400 -89.3326 73.8901 -126.737 73.8904 -1.92436 -116.275 -126.737 -116.276 79.7283 GPRESSURE: 432400 -18.4993 201.844 -173.678 48.3088 -33.4792 -206.764 -57.8288 -64.5244 126.086 PRESSAVG: 432400 -3.99829 31.686 -23.0052 31.686 36.0839 0.618555 -23.0052 0.618628 0.60985 GPRESSAVG: 432400 -4.75381 32.2985 -22.6543 33.6675 37.152 1.70335 -22.7515 2.84521 0.777327 TIMING: 432400 CPU: 1360.65, 0.00320431/step Wall: 1360.65, 0.00320431/step, 4.06555 hours remaining, 237.304688 MB of memory in use. ENERGY: 432400 4032.2237 20535.8244 14473.0471 234.4037 -203140.1445 2482.0107 0.0000 0.0000 52039.4174 -109343.2174 299.0712 -161382.6347 -108978.8889 299.1266 -3.8429 24.7025 762423.0562 10.8985 11.0585 PRESSURE: 432600 -224.08 257.859 -108.152 257.859 124.337 48.7858 -108.152 48.7855 43.1892 GPRESSURE: 432600 -55.1988 113.677 -161.997 287.073 85.3779 21.8564 -68.3087 40.5304 -5.4961 PRESSAVG: 432600 23.4512 42.869 -18.7663 42.869 -22.5339 10.2071 -18.7663 10.2071 24.593 GPRESSAVG: 432600 23.0343 43.2706 -19.3388 42.1918 -20.8978 9.19214 -18.8735 7.62848 23.2567 TIMING: 432600 CPU: 1361.28, 0.00312921/step Wall: 1361.28, 0.00312921/step, 3.9701 hours remaining, 237.375000 MB of memory in use. ENERGY: 432600 4061.4699 20595.5198 14516.7361 263.4443 -203096.4298 2498.8190 0.0000 0.0000 52060.2385 -109100.2021 299.1909 -161160.4406 -108743.5566 299.3585 -18.8512 8.2277 763147.5944 8.5035 8.4644 PRESSURE: 432800 172.114 -101.86 -81.3493 -101.86 193.031 2.88614 -81.3501 2.88594 358.833 GPRESSURE: 432800 223.912 -135.201 -91.27 -87.1266 195.105 86.5364 -67.6593 -69.5114 402.794 PRESSAVG: 432800 -59.5623 -15.2425 9.06349 -15.2425 40.3831 -36.7856 9.0635 -36.7855 -11.5137 GPRESSAVG: 432800 -60.5002 -18.5765 7.39049 -15.0385 41.0999 -36.4948 11.2371 -36.8033 -10.5974 TIMING: 432800 CPU: 1361.9, 0.00312267/step Wall: 1361.9, 0.00312267/step, 3.96163 hours remaining, 237.375000 MB of memory in use. ENERGY: 432800 3983.8347 20463.3128 14489.1020 242.7355 -203186.3496 2625.8500 0.0000 0.0000 52093.2114 -109288.3032 299.3804 -161381.5146 -108923.4883 299.4542 241.3258 273.9368 761348.7734 -10.2310 -9.9992 PRESSURE: 433000 171.495 -114.519 -21.9844 -114.519 -102.932 86.9268 -21.9855 86.9261 -219.61 GPRESSURE: 433000 239.459 -245.87 -56.1053 -96.0416 -118.556 93.5977 15.3041 28.5023 -183.797 PRESSAVG: 433000 -4.47888 18.3893 -73.1897 18.3894 -7.96664 -23.8423 -73.1898 -23.8423 -12.9856 GPRESSAVG: 433000 -3.91907 22.5275 -72.2776 17.1355 -8.37936 -22.0341 -74.2679 -23.7676 -12.6634 TIMING: 433000 CPU: 1362.52, 0.00311953/step Wall: 1362.52, 0.00311953/step, 3.95748 hours remaining, 237.375000 MB of memory in use. ENERGY: 433000 3936.8363 20540.2594 14505.5568 244.0887 -203261.5595 2758.1466 0.0000 0.0000 52085.9256 -109190.7461 299.3385 -161276.6717 -108825.9030 298.9995 -50.3489 -20.9650 763647.5316 -8.4770 -8.3206 PRESSURE: 433200 -321.951 87.9616 22.4177 87.9604 166.559 -74.351 22.4181 -74.3518 -9.2595 GPRESSURE: 433200 -192.066 60.6976 -22.1999 45.4692 225.598 -87.3052 154.232 -38.469 -108.923 PRESSAVG: 433200 -64.3441 -17.9767 13.7518 -17.9766 90.9267 12.2285 13.7518 12.2285 -20.0237 GPRESSAVG: 433200 -64.1032 -19.9146 13.7222 -16.7232 90.1855 10.7486 12.8736 11.9642 -19.8361 TIMING: 433200 CPU: 1363.15, 0.00312362/step Wall: 1363.15, 0.00312362/step, 3.96249 hours remaining, 237.375000 MB of memory in use. ENERGY: 433200 4019.2673 20668.2228 14479.5037 236.7037 -203361.9170 2748.5011 0.0000 0.0000 52172.6194 -109037.0989 299.8368 -161209.7184 -108677.6706 300.3181 -54.8838 -25.1304 762531.3022 2.1863 2.0821 PRESSURE: 433400 -250.534 29.3758 -72.7767 29.3756 177.197 71.8458 -72.7759 71.8459 -134.24 GPRESSURE: 433400 -128.67 -19.0524 -89.9664 89.2077 112.459 167.052 -162.271 77.8738 -115.723 PRESSAVG: 433400 -25.2476 -33.5593 40.6708 -33.5592 58.016 -34.9738 40.6709 -34.9737 15.2979 GPRESSAVG: 433400 -24.2688 -34.23 41.0387 -32.4247 57.189 -34.1815 41.3964 -33.9539 14.9129 TIMING: 433400 CPU: 1363.77, 0.00312599/step Wall: 1363.77, 0.00312599/step, 3.96532 hours remaining, 237.375000 MB of memory in use. ENERGY: 433400 4005.4768 20541.9420 14538.5159 245.9507 -203334.4111 2650.6801 0.0000 0.0000 52202.3988 -109149.4468 300.0079 -161351.8456 -108799.8095 299.6024 -69.1925 -43.9782 760361.7078 16.0221 15.9443 PRESSURE: 433600 -59.6248 -9.78775 96.8404 -9.78709 -51.5167 121.612 96.8418 121.612 98.2704 GPRESSURE: 433600 -95.2394 -11.9537 -14.6547 56.3546 36.4835 151.54 157.796 -35.4902 139.883 PRESSAVG: 433600 -24.4845 1.48398 27.7072 1.484 32.4322 49.8489 27.7072 49.8489 -1.42933 GPRESSAVG: 433600 -25.0964 -1.29894 27.3641 2.76935 32.5469 50.0987 28.183 47.795 -1.23154 TIMING: 433600 CPU: 1364.4, 0.00313153/step Wall: 1364.4, 0.00313153/step, 3.97217 hours remaining, 237.375000 MB of memory in use. ENERGY: 433600 3998.0869 20538.1780 14481.7383 228.7937 -203324.0478 2501.1622 0.0000 0.0000 52324.7788 -109251.3098 300.7112 -161576.0886 -108876.7268 300.0162 -4.2903 27.0423 760935.1970 2.1728 2.0730 PRESSURE: 433800 -2.88641 -119.55 64.465 -119.55 259.253 -56.567 64.4659 -56.5675 -25.3891 GPRESSURE: 433800 102.803 -134.927 58.7156 -44.7019 281.551 -120.212 117.369 50.7589 -69.8815 PRESSAVG: 433800 -69.0497 1.58192 0.432937 1.58197 28.9877 1.29187 0.43297 1.2919 16.2646 GPRESSAVG: 433800 -68.8758 4.30234 1.11073 -0.302583 30.0349 -0.416347 -1.17792 3.60844 15.1423 TIMING: 433800 CPU: 1365.03, 0.00312875/step Wall: 1365.03, 0.00312875/step, 3.96847 hours remaining, 237.375000 MB of memory in use. ENERGY: 433800 4037.8226 20595.1525 14373.1836 235.0774 -203455.8086 2764.1519 0.0000 0.0000 52235.8541 -109214.5667 300.2002 -161450.4208 -108861.9798 299.8677 76.9926 104.8242 759373.3070 -7.9325 -7.8995 PRESSURE: 434000 -310.136 -14.7956 -239.895 -14.7953 263.274 -266.27 -239.896 -266.27 176.014 GPRESSURE: 434000 -222.191 -64.6803 -278.16 -7.31311 259.398 -218.599 -152.994 -104.059 169.599 PRESSAVG: 434000 -36.8379 2.73313 -22.673 2.73305 57.4583 5.32586 -22.6729 5.32583 -18.7882 GPRESSAVG: 434000 -37.692 4.4503 -24.5244 3.43912 56.9186 6.13108 -20.8007 4.84335 -17.9941 TIMING: 434000 CPU: 1365.65, 0.00312939/step Wall: 1365.65, 0.00312939/step, 3.9691 hours remaining, 237.375000 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: 434000 3942.5531 20510.0325 14450.4553 248.0583 -203219.2583 2465.2741 0.0000 0.0000 52326.6127 -109276.2724 300.7218 -161602.8851 -108909.4207 300.0938 43.0506 68.9354 761334.6098 0.6107 0.4108 PRESSURE: 434200 116.723 -48.8153 77.5446 -48.8136 276.893 -159.378 77.5442 -159.378 129.246 GPRESSURE: 434200 152.081 -80.8077 72.0565 -157.46 279.536 -142.443 174.233 -74.103 176.175 PRESSAVG: 434200 -20.3892 29.1983 -51.0982 29.1983 31.9302 -17.6773 -51.0982 -17.6772 0.483464 GPRESSAVG: 434200 -19.636 27.3191 -48.8495 27.695 32.4363 -18.405 -54.1134 -16.5714 -0.206642 TIMING: 434200 CPU: 1366.28, 0.00313209/step Wall: 1366.28, 0.00313209/step, 3.97236 hours remaining, 237.375000 MB of memory in use. ENERGY: 434200 3959.0235 20440.5527 14426.0471 248.6596 -203426.5258 2590.9904 0.0000 0.0000 52427.2080 -109334.0445 301.2999 -161761.2525 -108962.9196 299.2147 174.2870 202.5974 760602.3463 4.0082 4.1979 PRESSURE: 434400 -85.942 -70.0755 123.659 -70.0765 -380.315 5.63027 123.659 5.63057 151.474 GPRESSURE: 434400 65.3697 -157.95 184.2 -66.1325 -381.796 64.1135 131.123 118.343 104.352 PRESSAVG: 434400 -4.36009 22.8987 32.4314 22.8987 -4.71733 -18.3146 32.4314 -18.3146 15.5551 GPRESSAVG: 434400 -3.2549 26.4525 32.4903 20.168 -6.80681 -15.8235 36.0588 -19.97 16.8363 TIMING: 434400 CPU: 1366.91, 0.00314405/step Wall: 1366.91, 0.00314405/step, 3.98735 hours remaining, 237.375000 MB of memory in use. ENERGY: 434400 3991.4069 20462.8240 14515.6435 255.2330 -203531.0653 2731.7587 0.0000 0.0000 51929.3283 -109644.8710 298.4386 -161574.1993 -109281.8072 298.9630 -104.9276 -70.6915 760893.0586 2.1592 2.2582 PRESSURE: 434600 -113.834 113.236 103.375 113.236 179.561 142.099 103.375 142.099 19.5684 GPRESSURE: 434600 -26.3217 43.8607 69.5876 50.4117 201.828 39.6229 33.0614 72.1519 -11.2802 PRESSAVG: 434600 -42.6068 -14.7073 -52.0109 -14.7073 72.4828 34.0445 -52.0109 34.0445 -38.2996 GPRESSAVG: 434600 -42.6049 -16.6603 -52.2939 -11.9285 72.1687 31.7157 -55.9848 33.9021 -37.7924 TIMING: 434600 CPU: 1367.53, 0.00313102/step Wall: 1367.53, 0.00313102/step, 3.97065 hours remaining, 237.375000 MB of memory in use. ENERGY: 434600 3953.2447 20520.7053 14452.7067 232.3358 -203722.7034 3030.9639 0.0000 0.0000 51889.9509 -109642.7960 298.2123 -161532.7469 -109277.8756 298.2346 28.4317 54.7420 763203.4107 -2.8079 -2.7428 PRESSURE: 434800 114.561 51.8742 -117.022 51.8741 225.186 89.9619 -117.022 89.9622 190.498 GPRESSURE: 434800 98.2899 64.2199 -195.462 60.1736 301.041 113.67 -84.9349 -1.34737 220.44 PRESSAVG: 434800 -100.124 1.84416 33.1662 1.84419 128.478 8.99726 33.1662 8.99735 -4.2078 GPRESSAVG: 434800 -100.086 0.830741 33.6202 2.27865 129.271 9.82962 34.1556 8.51185 -5.12923 TIMING: 434800 CPU: 1368.16, 0.00313302/step Wall: 1368.16, 0.00313302/step, 3.97302 hours remaining, 237.375000 MB of memory in use. ENERGY: 434800 3995.8033 20485.9154 14459.4084 283.6175 -203864.1176 2943.8761 0.0000 0.0000 52139.5252 -109555.9718 299.6466 -161695.4970 -109194.3367 299.3263 176.7486 206.5904 762576.7389 8.0488 8.0188 PRESSURE: 435000 -45.8703 -166.883 273.508 -166.883 46.2581 -239.132 273.507 -239.132 -297.043 GPRESSURE: 435000 86.145 -190.69 166.842 -179.816 10.284 -184.899 247.781 -230.66 -310.824 PRESSAVG: 435000 -26.742 2.73769 74.0864 2.73766 18.6568 24.5181 74.0864 24.5181 -34.055 GPRESSAVG: 435000 -27.226 2.59631 73.8435 3.0348 18.4196 25.0991 75.6436 24.2658 -34.195 TIMING: 435000 CPU: 1368.79, 0.00313129/step Wall: 1368.79, 0.00313129/step, 3.97065 hours remaining, 237.375000 MB of memory in use. ENERGY: 435000 3969.8062 20586.7196 14455.0693 257.7644 -203407.7561 2494.4276 0.0000 0.0000 52151.7100 -109492.2590 299.7166 -161643.9690 -109120.2456 299.1603 -98.8852 -71.4650 762674.3524 -14.0467 -14.3338 PRESSURE: 435200 -124.751 261.379 -93.6232 261.379 6.39999 -91.2189 -93.6228 -91.2193 -24.7064 GPRESSURE: 435200 -54.9245 251.281 -87.2772 253.292 -16.4545 -106.052 -136.067 -36.9908 29.081 PRESSAVG: 435200 -14.4728 25.7154 27.0791 25.7153 19.5534 19.6527 27.0791 19.6527 9.58333 GPRESSAVG: 435200 -14.3272 27.3929 26.0704 23.4251 18.9896 19.3651 26.4778 21.1379 9.85868 TIMING: 435200 CPU: 1369.41, 0.00311718/step Wall: 1369.41, 0.00311718/step, 3.95259 hours remaining, 237.375000 MB of memory in use. ENERGY: 435200 4008.8726 20506.2388 14503.9775 245.5739 -203409.5158 2662.0675 0.0000 0.0000 52148.8977 -109333.8879 299.7004 -161482.7855 -108973.7464 299.4381 -47.6859 -14.0993 762498.5431 4.8880 4.8404 PRESSURE: 435400 37.7843 -76.1791 -334.437 -76.1791 -197.216 42.0739 -334.437 42.0745 18.8669 GPRESSURE: 435400 96.2625 -23.7869 -268.453 -101.509 -202.288 14.9148 -51.7403 65.4248 48.4553 PRESSAVG: 435400 -7.6154 -5.93252 -41.689 -5.93254 9.48776 83.83 -41.6891 83.8299 -10.4845 GPRESSAVG: 435400 -7.75828 -5.91367 -41.9414 -3.43841 11.0901 83.7366 -39.9757 82.4389 -11.8892 TIMING: 435400 CPU: 1370.04, 0.00313836/step Wall: 1370.04, 0.00313836/step, 3.97927 hours remaining, 237.375000 MB of memory in use. ENERGY: 435400 4073.3495 20398.7946 14428.6215 245.3653 -203407.9817 2548.3421 0.0000 0.0000 52101.3501 -109612.1586 299.4272 -161713.5087 -109256.4068 298.7805 -46.8549 -19.1900 762374.1044 -2.8707 -2.8525 PRESSURE: 435600 49.0288 93.5999 143.606 93.5991 -34.7751 -56.3554 143.606 -56.3549 -135.981 GPRESSURE: 435600 87.3372 23.3347 221.679 -90.7343 -5.59441 -110.961 208.098 -59.8866 -116.752 PRESSAVG: 435600 24.9921 -28.6228 -35.8257 -28.6227 -41.4889 9.62511 -35.8257 9.62517 -5.8099 GPRESSAVG: 435600 24.6528 -29.9961 -36.1671 -30.0594 -42.0188 7.81501 -37.6781 11.4084 -4.67839 TIMING: 435600 CPU: 1370.67, 0.00315583/step Wall: 1370.67, 0.00315583/step, 4.00124 hours remaining, 237.375000 MB of memory in use. ENERGY: 435600 3991.1949 20653.7682 14478.5294 239.1527 -203909.6344 2695.6870 0.0000 0.0000 52153.1541 -109698.1480 299.7249 -161851.3021 -109341.9396 298.8080 -40.5757 -11.6698 760723.7942 -7.4356 -7.3481 PRESSURE: 435800 -140.395 24.8322 -87.1768 24.8316 -90.0154 -14.2636 -87.1774 -14.2625 -32.0241 GPRESSURE: 435800 -65.4189 -17.3441 -60.1547 1.23129 -48.3804 -175.677 -126.819 -51.4827 -54.6035 PRESSAVG: 435800 -5.16833 12.4111 7.28098 12.4112 35.1779 -19.9355 7.28098 -19.9355 -5.34109 GPRESSAVG: 435800 -5.00308 11.7101 7.84606 12.5961 35.5835 -18.358 8.72312 -20.7967 -5.90007 TIMING: 435800 CPU: 1371.3, 0.00315274/step Wall: 1371.3, 0.00315274/step, 3.99715 hours remaining, 237.375000 MB of memory in use. ENERGY: 435800 4011.4912 20617.0026 14439.5397 239.8340 -203961.6289 2976.4836 0.0000 0.0000 52104.7357 -109572.5420 299.4466 -161677.2777 -109208.4700 298.8114 -87.4781 -56.1342 760439.6191 8.2228 8.2268 PRESSURE: 436000 104.419 21.6822 -6.6207 21.6824 -230.23 -77.283 -6.61985 -77.283 26.6627 GPRESSURE: 436000 60.8552 57.5126 9.97971 58.8745 -106.523 -55.3515 -41.5471 -6.88982 38.5568 PRESSAVG: 436000 -30.1675 -1.89629 31.4576 -1.89632 46.914 -46.8511 31.4576 -46.8512 8.62624 GPRESSAVG: 436000 -30.4354 -1.14881 32.291 -0.252049 46.5842 -48.0299 30.405 -47.9887 9.06757 TIMING: 436000 CPU: 1371.93, 0.00314431/step Wall: 1371.93, 0.00314431/step, 3.98629 hours remaining, 237.375000 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: 436000 4022.1364 20514.8275 14449.4307 253.5603 -203099.3161 2311.7636 0.0000 0.0000 51943.6560 -109603.9415 298.5209 -161547.5975 -109250.3406 299.0678 -33.0493 -2.3702 761776.9042 8.4576 8.4055 PRESSURE: 436200 -51.9316 131.413 -138.892 131.413 173.268 -25.7792 -138.892 -25.7788 318.485 GPRESSURE: 436200 -53.3144 114.224 -88.3149 75.1863 259.075 45.8934 -2.47431 1.30328 311.114 PRESSAVG: 436200 71.4019 15.7648 -2.41259 15.7648 -4.87823 -3.48188 -2.41257 -3.48187 -2.07633 GPRESSAVG: 436200 71.9927 16.5845 -3.96764 12.4819 -5.50894 -1.39558 -3.32497 -2.06202 -1.2815 TIMING: 436200 CPU: 1372.56, 0.00314057/step Wall: 1372.56, 0.00314057/step, 3.98137 hours remaining, 237.375000 MB of memory in use. ENERGY: 436200 3947.3456 20566.0591 14458.1282 244.4597 -203511.2220 2671.3982 0.0000 0.0000 52114.6006 -109509.2306 299.5033 -161623.8311 -109152.7854 299.3946 146.6068 172.2916 758256.0086 21.4825 21.7341 LDB: ============= START OF LOAD BALANCING ============== 1385.01 LDB: ============== END OF LOAD BALANCING =============== 1385.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1385.01 LDB: ============= START OF LOAD BALANCING ============== 1385.33 LDB: Largest compute 7026 load 0.034145 is 17.5% of average load 0.194903 LDB: Average compute 0.004401 is 2.3% of average load 0.194903 LDB: TIME 1385.33 LOAD: AVG 0.194903 MAX 0.212153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 1385.33 LOAD: AVG 0.194903 MAX 0.212153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 1385.33 LOAD: AVG 0.194903 MAX 0.212153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 1385.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1385.34 PRESSURE: 436400 2.84121 -116.042 -76.0144 -116.041 -103.306 65.7207 -76.0144 65.7212 -312.457 GPRESSURE: 436400 45.9826 -65.728 -84.7275 -116.428 -46.8372 156.108 -150.542 -59.6307 -307.81 PRESSAVG: 436400 -7.19338 -42.4423 33.9585 -42.4424 31.3686 -13.5117 33.9585 -13.5118 -9.94201 GPRESSAVG: 436400 -7.26514 -43.6183 33.31 -39.9273 31.9967 -13.9788 34.6004 -14.9004 -10.9602 TIMING: 436400 CPU: 1373.2, 0.00323132/step Wall: 1373.2, 0.00323132/step, 4.09623 hours remaining, 235.824219 MB of memory in use. ENERGY: 436400 4050.9672 20500.8893 14461.9205 245.9299 -203149.9995 2401.5507 0.0000 0.0000 52065.1364 -109423.6055 299.2191 -161488.7419 -109064.8512 299.2326 -137.6404 -102.8883 758820.8843 4.7444 4.5904 PRESSURE: 436600 385.273 89.0208 260.52 89.0201 291.095 -48.4583 260.52 -48.4581 357.161 GPRESSURE: 436600 449.666 37.8736 223.776 122.594 375.286 -157.311 233.116 60.0929 294.735 PRESSAVG: 436600 16.5499 5.86185 -16.7882 5.86182 -6.81154 47.4062 -16.7882 47.4062 0.50246 GPRESSAVG: 436600 16.3441 7.40756 -15.6692 5.67424 -6.02448 46.5704 -15.8437 47.6256 -0.320619 TIMING: 436600 CPU: 1373.84, 0.00319294/step Wall: 1373.84, 0.00319294/step, 4.04741 hours remaining, 235.824219 MB of memory in use. ENERGY: 436600 4064.6442 20551.9969 14516.5254 237.3664 -203192.6439 2606.9503 0.0000 0.0000 52007.1834 -109207.9774 298.8860 -161215.1607 -108841.2293 299.2529 344.5096 373.2292 761538.4346 3.4136 3.3330 PRESSURE: 436800 -87.118 153.965 12.1018 153.964 -120.319 -106.147 12.1017 -106.147 -68.6014 GPRESSURE: 436800 -58.9419 59.1139 -15.4287 215.594 -36.7969 -150.612 74.0833 -116.605 -100.342 PRESSAVG: 436800 -8.97322 -1.02151 11.212 -1.02147 15.4954 23.3121 11.2121 23.3121 7.17147 GPRESSAVG: 436800 -9.33338 -1.59415 11.85 0.292003 15.431 22.8999 10.8567 24.4384 7.92782 TIMING: 436800 CPU: 1374.47, 0.00315657/step Wall: 1374.47, 0.00315657/step, 4.00113 hours remaining, 235.824219 MB of memory in use. ENERGY: 436800 3981.6227 20490.7591 14482.1054 241.7144 -203032.1376 2536.3370 0.0000 0.0000 52033.6058 -109265.9931 299.0378 -161299.5989 -108895.1971 299.6672 -92.0128 -65.3602 761688.2844 4.5645 4.6751 PRESSURE: 437000 64.4354 77.5013 -72.6908 77.5006 -132.725 -173.603 -72.6914 -173.603 0.996989 GPRESSURE: 437000 129.686 100.229 2.2492 -111.006 -93.6933 -177.756 -49.1491 -64.7376 -16.3728 PRESSAVG: 437000 -4.80895 -34.317 33.6761 -34.3171 -1.67156 2.27594 33.6761 2.276 12.4625 GPRESSAVG: 437000 -5.10394 -32.9504 32.465 -36.1039 -2.41734 2.20549 35.7754 1.47496 12.9978 TIMING: 437000 CPU: 1375.1, 0.00312697/step Wall: 1375.1, 0.00312697/step, 3.96344 hours remaining, 235.824219 MB of memory in use. ENERGY: 437000 4052.3325 20560.7895 14519.5011 272.1157 -202973.2025 2362.9312 0.0000 0.0000 52060.1538 -109145.3786 299.1904 -161205.5325 -108783.3657 299.4335 -22.4309 6.5398 760862.3737 1.9940 1.8255 PRESSURE: 437200 224.274 -38.1351 148.212 -38.1348 -21.4647 76.3337 148.212 76.3337 303.466 GPRESSURE: 437200 211.725 -43.8057 76.7851 -50.0526 47.5651 16.7567 98.4408 249.366 328.304 PRESSAVG: 437200 44.538 27.5509 22.4187 27.5509 -8.33724 28.9823 22.4186 28.9823 15.6176 GPRESSAVG: 437200 44.9555 28.3947 22.675 27.0302 -9.04055 29.9618 20.817 29.5574 15.2316 TIMING: 437200 CPU: 1375.73, 0.00314213/step Wall: 1375.73, 0.00314213/step, 3.98248 hours remaining, 235.824219 MB of memory in use. ENERGY: 437200 3993.7802 20313.6340 14522.0485 256.1070 -203609.8758 2948.0609 0.0000 0.0000 52096.8049 -109479.4404 299.4011 -161576.2452 -109112.3392 299.1992 168.7583 195.8649 761667.1230 17.2728 17.0488 PRESSURE: 437400 -114.756 -280.956 -272.594 -280.955 13.266 69.1985 -272.595 69.1976 60.221 GPRESSURE: 437400 -40.7311 -234.381 -337.094 -154.844 10.6538 22.9916 -185.206 98.4214 69.1254 PRESSAVG: 437400 -60.2186 -15.4906 12.4367 -15.4906 65.9406 -21.2822 12.4367 -21.2823 -3.7677 GPRESSAVG: 437400 -59.7272 -17.9314 12.3648 -14.8585 65.0611 -21.9325 12.0473 -19.826 -3.52604 TIMING: 437400 CPU: 1376.36, 0.00314582/step Wall: 1376.36, 0.00314582/step, 3.98698 hours remaining, 235.824219 MB of memory in use. ENERGY: 437400 4000.1869 20451.0284 14430.6071 246.3060 -203319.5528 2598.6187 0.0000 0.0000 51984.0306 -109608.7751 298.7529 -161592.8057 -109245.5912 298.6688 -13.7564 13.0161 761745.8709 0.6514 0.6026 PRESSURE: 437600 -15.7178 -8.86446 280.709 -8.86474 -113.93 68.6638 280.709 68.6648 -77.0758 GPRESSURE: 437600 -84.2087 48.3758 349.797 -4.81198 -25.4449 14.7627 261.418 125.51 -5.27377 PRESSAVG: 437600 5.5515 -13.0171 44.1404 -13.0171 34.3954 40.6608 44.1404 40.6608 2.78664 GPRESSAVG: 437600 4.53134 -11.6451 44.6099 -14.0989 35.3859 42.2842 43.6242 36.8531 2.39946 TIMING: 437600 CPU: 1376.99, 0.00314702/step Wall: 1376.99, 0.00314702/step, 3.98832 hours remaining, 235.824219 MB of memory in use. ENERGY: 437600 3944.8392 20643.7989 14558.2768 257.3309 -203509.2442 2643.2508 0.0000 0.0000 51840.1742 -109621.5734 297.9262 -161461.7476 -109258.2407 299.0148 -68.9079 -38.3091 760989.3658 14.2445 14.1056 PRESSURE: 437800 151.389 56.2811 34.7096 56.2813 -114.281 164.052 34.7091 164.051 -37.5475 GPRESSURE: 437800 208.314 13.5157 32.8247 22.157 -112.612 181.919 35.9413 240.161 -12.9832 PRESSAVG: 437800 83.8258 4.88612 20.4064 4.88618 -55.1186 30.0461 20.4064 30.0461 -10.9034 GPRESSAVG: 437800 86.1768 4.12586 21.2138 5.88771 -56.7277 27.4875 20.3367 33.54 -10.9334 TIMING: 437800 CPU: 1377.61, 0.00312537/step Wall: 1377.61, 0.00312537/step, 3.96071 hours remaining, 235.824219 MB of memory in use. ENERGY: 437800 3946.2273 20497.2190 14451.0999 255.9227 -203503.4058 2769.5124 0.0000 0.0000 52049.9098 -109533.5147 299.1315 -161583.4245 -109178.6570 299.1921 -0.1464 27.5729 762393.2574 5.9346 6.1719 PRESSURE: 438000 -15.6343 66.0362 -232.672 66.0356 -238.825 222.167 -232.672 222.166 38.1882 GPRESSURE: 438000 35.8835 102.381 -249.68 -0.820411 -165.5 281.154 -172.724 181.505 12.464 PRESSAVG: 438000 50.9223 -31.2495 -12.2452 -31.2495 -33.8435 11.6507 -12.2452 11.6507 -6.57517 GPRESSAVG: 438000 51.3957 -30.8863 -12.2305 -30.5225 -32.9785 13.7128 -12.7281 8.96475 -7.26262 TIMING: 438000 CPU: 1378.24, 0.00314528/step Wall: 1378.24, 0.00314528/step, 3.98577 hours remaining, 235.824219 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: 438000 3985.2494 20524.6090 14439.1145 247.1238 -203708.3594 2701.7399 0.0000 0.0000 52212.9324 -109597.5905 300.0684 -161810.5228 -109245.0121 299.0618 -72.0904 -39.0507 761830.0732 3.5012 3.7182 PRESSURE: 438200 23.1529 3.20663 -43.4641 3.20712 -110.977 185.142 -43.4633 185.141 150.479 GPRESSURE: 438200 9.19096 -18.1932 -30.4996 -34.0377 -28.1053 263.111 185.915 99.2429 163.098 PRESSAVG: 438200 34.6441 -43.599 -6.17388 -43.599 -31.8033 30.094 -6.17386 30.094 9.17535 GPRESSAVG: 438200 33.7498 -40.4908 -5.60492 -46.218 -31.1101 28.1837 -5.68586 33.8493 9.01776 TIMING: 438200 CPU: 1378.87, 0.00313386/step Wall: 1378.87, 0.00313386/step, 3.97112 hours remaining, 235.824219 MB of memory in use. ENERGY: 438200 3974.1169 20545.6309 14453.0438 261.8709 -203839.5120 2808.8685 0.0000 0.0000 52202.0185 -109593.9624 300.0057 -161795.9810 -109230.0010 299.3341 20.8852 48.0612 761996.8684 4.0054 3.8858 PRESSURE: 438400 397.627 54.4001 -10.4514 54.3998 -88.356 -28.5194 -10.4522 -28.52 -149.592 GPRESSURE: 438400 408.765 13.8855 21.2309 12.1276 -25.672 22.9512 -25.509 -61.2343 -142.538 PRESSAVG: 438400 4.85483 35.119 11.6721 35.1191 -37.312 -7.49313 11.6721 -7.49323 27.1447 GPRESSAVG: 438400 4.70405 31.0251 11.225 35.947 -38.1617 -6.59387 10.8353 -9.72436 27.9146 TIMING: 438400 CPU: 1379.5, 0.00315224/step Wall: 1379.5, 0.00315224/step, 3.99424 hours remaining, 235.824219 MB of memory in use. ENERGY: 438400 3984.4993 20539.1072 14514.5157 256.6738 -203717.1689 3030.1102 0.0000 0.0000 51769.5471 -109622.7156 297.5203 -161392.2627 -109262.3047 299.1852 53.2265 80.1852 761800.6208 -1.7708 -1.8477 PRESSURE: 438600 81.566 44.1758 -35.4833 44.1759 -115.462 -159.772 -35.4829 -159.773 40.2038 GPRESSURE: 438600 193.044 123.305 10.1911 50.2328 -101.798 -101.088 -31.9104 -234.518 9.0057 PRESSAVG: 438600 65.9121 -12.2439 -3.15726 -12.2439 -82.1053 20.0853 -3.15728 20.0854 4.33807 GPRESSAVG: 438600 65.7415 -9.411 -3.42967 -12.8172 -81.3113 20.4254 -0.685206 19.4138 4.42985 TIMING: 438600 CPU: 1380.13, 0.00314842/step Wall: 1380.13, 0.00314842/step, 3.98923 hours remaining, 235.824219 MB of memory in use. ENERGY: 438600 4051.0959 20574.2901 14493.9238 241.6500 -203732.6929 2894.6707 0.0000 0.0000 51963.9892 -109513.0732 298.6378 -161477.0624 -109166.4753 298.3180 2.1025 33.4173 761442.6424 -3.9517 -3.7133 PRESSURE: 438800 -22.4712 -193.642 -125.97 -193.642 298.002 -24.0466 -125.97 -24.0478 281.77 GPRESSURE: 438800 24.4297 -221.231 -73.0791 -244.807 316.554 -69.2654 -92.0063 -10.3846 297.961 PRESSAVG: 438800 50.2308 31.3839 21.0279 31.384 -22.0118 -16.3391 21.028 -16.3391 29.4547 GPRESSAVG: 438800 50.7666 30.109 21.1679 33.5423 -21.463 -16.5938 20.0842 -16.1124 28.6598 TIMING: 438800 CPU: 1380.75, 0.0031346/step Wall: 1380.75, 0.0031346/step, 3.97153 hours remaining, 235.824219 MB of memory in use. ENERGY: 438800 3983.4569 20341.1963 14483.5285 267.8282 -203873.9138 3076.5888 0.0000 0.0000 52097.9991 -109623.3160 299.4079 -161721.3151 -109258.6091 298.9004 185.7667 212.9817 760798.3278 19.2246 19.3211 PRESSURE: 439000 -439.619 168.733 -23.1796 168.733 406.78 -50.5948 -23.1794 -50.5949 185.773 GPRESSURE: 439000 -323.872 101.483 -3.30009 147.898 420.399 -111.268 50.1115 -35.7546 130.816 PRESSAVG: 439000 -29.373 -47.1355 12.5466 -47.1356 2.46873 -5.64893 12.5466 -5.64899 6.86279 GPRESSAVG: 439000 -29.3154 -47.1546 11.2359 -47.5697 0.648957 -5.64348 11.59 -5.31409 8.20839 TIMING: 439000 CPU: 1381.38, 0.00311903/step Wall: 1381.38, 0.00311903/step, 3.95164 hours remaining, 235.824219 MB of memory in use. ENERGY: 439000 3935.3680 20397.0480 14470.1681 240.0351 -203421.3841 2583.1317 0.0000 0.0000 52010.2461 -109785.3871 298.9036 -161795.6332 -109432.1020 298.5681 50.9780 75.7810 760380.4173 -6.6805 -6.8194 PRESSURE: 439200 -76.6099 -74.5168 24.2891 -74.518 -328.064 -180.019 24.2894 -180.021 -41.8639 GPRESSURE: 439200 -24.4814 -194.82 96.0713 -16.9788 -303.442 -82.9618 -51.6474 -226.435 -44.2233 PRESSAVG: 439200 -21.0438 28.8418 67.4818 28.8418 43.3399 -8.97584 67.4817 -8.97587 -2.63265 GPRESSAVG: 439200 -22.5921 26.8595 68.4903 27.5714 45.3461 -9.3385 69.6946 -9.62888 -2.99325 TIMING: 439200 CPU: 1382.01, 0.00315077/step Wall: 1382.01, 0.00315077/step, 3.99168 hours remaining, 235.824219 MB of memory in use. ENERGY: 439200 3988.3588 20506.7264 14508.4618 223.2784 -203485.5598 2644.4165 0.0000 0.0000 51997.4993 -109616.8188 298.8303 -161614.3181 -109266.2083 298.7074 -148.8459 -124.0488 759821.4945 6.5545 6.5869 PRESSURE: 439400 -161.883 106.028 84.9713 106.029 -424.549 168.528 84.9717 168.529 -27.7445 GPRESSURE: 439400 -200.01 10.2871 78.8671 63.8487 -365.677 235.824 131.936 28.1317 25.6917 PRESSAVG: 439400 32.7928 -13.6398 13.0591 -13.6398 -38.6763 -67.2438 13.0591 -67.2437 -16.2122 GPRESSAVG: 439400 33.4186 -11.3484 10.8001 -14.9592 -38.7578 -66.5395 11.5623 -68.2506 -16.6151 TIMING: 439400 CPU: 1382.64, 0.00315323/step Wall: 1382.64, 0.00315323/step, 3.99461 hours remaining, 235.824219 MB of memory in use. ENERGY: 439400 3984.2742 20489.8259 14544.8154 250.4080 -202936.5897 2288.0731 0.0000 0.0000 51849.7680 -109529.4251 297.9813 -161379.1931 -109157.2691 299.2390 -204.7254 -179.9985 759963.4811 -7.3652 -7.3181 PRESSURE: 439600 -490.93 -245.089 -183.075 -245.088 244.85 -227.383 -183.074 -227.383 58.7661 GPRESSURE: 439600 -334.956 -128.524 -143.566 -154.596 141.474 -147.203 -163.469 -123.109 84.4357 PRESSAVG: 439600 35.5074 1.73336 12.4637 1.73338 5.39752 -4.965 12.4637 -4.96501 5.55073 GPRESSAVG: 439600 36.8016 2.73644 14.2293 3.04348 4.28924 -5.66178 13.4433 -1.56954 5.53688 TIMING: 439600 CPU: 1383.27, 0.00317094/step Wall: 1383.27, 0.00317094/step, 4.01688 hours remaining, 235.824219 MB of memory in use. ENERGY: 439600 3972.0614 20468.9728 14434.5439 240.0821 -203045.2301 2542.6136 0.0000 0.0000 51744.4965 -109642.4599 297.3763 -161386.9564 -109275.9515 298.7044 -62.4380 -36.3486 761018.3566 15.4852 15.5426 PRESSURE: 439800 -123.462 -39.6795 105.825 -39.6794 -173.268 104.271 105.824 104.271 -73.2406 GPRESSURE: 439800 -104.402 -21.141 -10.6336 -62.182 -73.2039 169.233 162.28 96.6123 -86.4842 PRESSAVG: 439800 -38.859 12.29 -4.85151 12.2899 18.7393 -25.7675 -4.85147 -25.7676 -10.9656 GPRESSAVG: 439800 -40.344 10.2911 -4.86394 14.7097 19.7901 -25.3853 -4.15194 -28.7562 -9.7861 TIMING: 439800 CPU: 1383.91, 0.00316647/step Wall: 1383.91, 0.00316647/step, 4.01104 hours remaining, 235.824219 MB of memory in use. ENERGY: 439800 3961.0688 20325.1245 14467.5396 243.2083 -202722.1811 2349.0457 0.0000 0.0000 51749.2674 -109626.9269 297.4038 -161376.1943 -109272.2706 298.6073 -123.3235 -88.0301 761823.1759 -10.3618 -10.1133 PRESSURE: 440000 -20.5662 118.403 -163.702 118.403 -3.5978 -64.0672 -163.702 -64.0663 -46.4502 GPRESSURE: 440000 65.1431 112.856 -286.975 50.9437 3.91098 -0.203204 -17.2637 -95.1482 -47.064 PRESSAVG: 440000 -9.91903 -20.43 -11.1781 -20.43 -28.158 8.16014 -11.1781 8.16004 7.13362 GPRESSAVG: 440000 -10.7644 -20.1328 -10.9436 -22.9927 -27.7245 7.26847 -11.6236 10.5332 7.35311 TIMING: 440000 CPU: 1384.54, 0.00316338/step Wall: 1384.54, 0.00316338/step, 4.00695 hours remaining, 235.824219 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: 440000 3945.2138 20492.6867 14481.4820 251.0353 -202848.7726 2261.3965 0.0000 0.0000 51978.4652 -109438.4931 298.7210 -161416.9583 -109081.5771 298.5282 -23.5381 7.3300 761595.5227 -10.3145 -10.3786 PRESSURE: 440200 -194.979 -244.916 -34.8198 -244.916 -84.1977 -17.2604 -34.8197 -17.2604 -157.291 GPRESSURE: 440200 -72.8616 -276.14 -10.701 -167.544 -118.344 9.77292 55.6708 26.031 -168.566 PRESSAVG: 440200 -26.1001 -30.6114 -21.8516 -30.6114 24.7426 -2.6933 -21.8516 -2.69329 18.5543 GPRESSAVG: 440200 -24.9243 -28.9583 -22.9774 -29.0072 25.0102 -0.99349 -21.506 -3.08245 17.486 TIMING: 440200 CPU: 1385.17, 0.00316934/step Wall: 1385.17, 0.00316934/step, 4.01433 hours remaining, 235.824219 MB of memory in use. ENERGY: 440200 4002.1726 20569.9037 14481.8904 245.1978 -202853.4289 2400.7957 0.0000 0.0000 51945.1112 -109208.3575 298.5293 -161153.4687 -108842.1192 299.4218 -145.4895 -119.9239 763995.8984 5.7323 5.8573 LDB: ============= START OF LOAD BALANCING ============== 1397.62 LDB: ============== END OF LOAD BALANCING =============== 1397.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1397.63 LDB: ============= START OF LOAD BALANCING ============== 1397.94 LDB: Largest compute 7074 load 0.033813 is 17.3% of average load 0.194977 LDB: Average compute 0.004387 is 2.2% of average load 0.194977 LDB: TIME 1397.95 LOAD: AVG 0.194977 MAX 0.213823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.121 MB LDB: TIME 1397.95 LOAD: AVG 0.194977 MAX 0.213823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: TIME 1397.95 LOAD: AVG 0.194977 MAX 0.213823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.125 MB LDB: ============== END OF LOAD BALANCING =============== 1397.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1397.95 PRESSURE: 440400 -201.926 -134.877 -103.665 -134.878 -370.156 62.7616 -103.665 62.7617 -371.193 GPRESSURE: 440400 -150.352 -107.718 -54.5962 -139.265 -363.269 -38.822 -220.927 -0.918495 -345.403 PRESSAVG: 440400 29.1273 -46.1403 -14.3456 -46.1404 -10.5162 33.0069 -14.3457 33.0069 21.3314 GPRESSAVG: 440400 30.1055 -46.9285 -13.4818 -47.9115 -11.2458 31.8247 -15.9031 32.7975 20.8304 TIMING: 440400 CPU: 1385.82, 0.00322932/step Wall: 1385.82, 0.00322932/step, 4.09011 hours remaining, 235.507812 MB of memory in use. ENERGY: 440400 4056.9520 20442.5755 14430.9125 216.6922 -202800.0850 2138.7495 0.0000 0.0000 52162.9957 -109351.2076 299.7815 -161514.2032 -108997.4913 299.8858 -314.4250 -286.3411 764213.8406 13.3142 13.2300 PRESSURE: 440600 -41.2105 19.7525 68.6197 19.7528 -429.198 -55.8114 68.6201 -55.8113 24.4518 GPRESSURE: 440600 -107.961 112.638 -3.80471 81.1549 -305.728 -127.465 190.998 96.9181 54.946 PRESSAVG: 440600 79.6421 -58.4389 13.4981 -58.4389 -29.7204 10.7999 13.4981 10.7999 22.0939 GPRESSAVG: 440600 77.3832 -58.3684 12.9219 -57.9197 -28.5329 10.5711 14.2457 11.2857 23.0384 TIMING: 440600 CPU: 1386.45, 0.00316033/step Wall: 1386.45, 0.00316033/step, 4.00255 hours remaining, 235.710938 MB of memory in use. ENERGY: 440600 3990.5941 20622.8574 14451.9561 246.4922 -203268.6715 2605.7380 0.0000 0.0000 51934.9045 -109416.1291 298.4706 -161351.0336 -109058.2285 299.1464 -148.6524 -119.5809 764903.9160 24.0052 23.9629 PRESSURE: 440800 -172.185 -15.3617 -179.284 -15.3614 -418.607 -34.5882 -179.284 -34.5884 168.611 GPRESSURE: 440800 -161.713 39.5312 -188.838 1.21232 -347.385 -3.44477 -113.107 -29.9319 194.64 PRESSAVG: 440800 14.4803 -18.3454 -6.47671 -18.3453 -28.4422 10.08 -6.47678 10.08 -9.06401 GPRESSAVG: 440800 14.873 -17.5989 -5.54469 -19.3505 -29.0849 9.64816 -7.97136 10.6013 -8.36692 TIMING: 440800 CPU: 1387.08, 0.00316725/step Wall: 1387.08, 0.00316725/step, 4.01114 hours remaining, 235.710938 MB of memory in use. ENERGY: 440800 4060.7389 20394.3774 14517.8349 229.1457 -203456.5305 2685.7344 0.0000 0.0000 52205.8064 -109362.8927 300.0275 -161568.6991 -109003.6686 299.1434 -140.7269 -104.8191 762313.0686 -7.6753 -7.5263 PRESSURE: 441000 -30.1329 -119.802 5.63498 -119.801 -194.798 -175.984 5.63401 -175.985 244.545 GPRESSURE: 441000 21.2278 -65.3089 85.3973 -247.7 -131.603 -103.367 -36.6086 -133.096 208.771 PRESSAVG: 441000 2.49756 15.7089 15.495 15.7089 0.3292 -5.32492 15.495 -5.32495 -3.14765 GPRESSAVG: 441000 3.14054 13.9576 13.7738 17.2489 0.192394 -6.28395 15.1709 -4.06108 -4.41599 TIMING: 441000 CPU: 1387.71, 0.00314756/step Wall: 1387.71, 0.00314756/step, 3.98604 hours remaining, 235.710938 MB of memory in use. ENERGY: 441000 3928.7414 20698.3057 14423.3984 243.1305 -203225.6890 2465.0984 0.0000 0.0000 51874.4204 -109592.5942 298.1230 -161467.0146 -109234.6903 299.0928 6.5381 32.7986 762297.2926 -0.1070 -0.3610 PRESSURE: 441200 -413.393 66.6871 -20.9017 66.6873 -180.961 27.6869 -20.9008 27.6869 -88.6068 GPRESSURE: 441200 -351.063 -64.0401 -118.795 50.3418 -169.161 28.0341 22.1689 -116.991 -72.2611 PRESSAVG: 441200 -7.93769 -36.8979 -50.6277 -36.8979 -4.72177 -15.6125 -50.6277 -15.6125 24.0455 GPRESSAVG: 441200 -7.66744 -36.7542 -48.322 -38.8863 -5.73603 -14.8003 -47.7174 -16.6324 24.1973 TIMING: 441200 CPU: 1388.34, 0.00314869/step Wall: 1388.34, 0.00314869/step, 3.98729 hours remaining, 235.710938 MB of memory in use. ENERGY: 441200 3875.1231 20611.3313 14419.7720 240.8421 -203682.4214 2470.3760 0.0000 0.0000 52258.3253 -109806.6517 300.3293 -162064.9770 -109441.0630 298.2963 -227.6537 -197.4951 760182.3979 3.7953 3.5979 PRESSURE: 441400 194.213 50.1671 -130.474 50.1656 -192.929 94.9857 -130.475 94.9856 -414.745 GPRESSURE: 441400 251.989 136.633 -212.275 -33.3139 -172.833 112.609 -29.5523 34.0801 -419.737 PRESSAVG: 441400 -21.6338 -16.839 -32.7068 -16.839 20.9225 -50.2863 -32.7068 -50.2863 -1.01209 GPRESSAVG: 441400 -23.2199 -16.4109 -36.2096 -15.5047 22.0548 -51.6832 -35.0026 -50.0196 -0.874322 TIMING: 441400 CPU: 1388.97, 0.00314437/step Wall: 1388.97, 0.00314437/step, 3.98165 hours remaining, 235.710938 MB of memory in use. ENERGY: 441400 3976.1482 20586.4405 14418.8087 248.0342 -203138.8425 2358.9798 0.0000 0.0000 51902.6304 -109647.8007 298.2851 -161550.4311 -109296.8081 298.6031 -137.8201 -113.5271 762113.5264 -0.5745 -0.6798 PRESSURE: 441600 224.087 44.6665 -362.439 44.6666 345.575 71.0139 -362.438 71.014 196.76 GPRESSURE: 441600 222.88 -60.7713 -290.881 64.6552 335.65 43.6341 -342.146 -63.4874 281.597 PRESSAVG: 441600 31.2745 -26.7613 -25.4317 -26.7613 32.8114 -31.5758 -25.4317 -31.5758 -0.0421453 GPRESSAVG: 441600 32.7193 -26.9842 -22.8253 -26.4493 32.0632 -31.0112 -24.5597 -33.7587 -0.558035 TIMING: 441600 CPU: 1389.6, 0.0031296/step Wall: 1389.6, 0.0031296/step, 3.96277 hours remaining, 235.710938 MB of memory in use. ENERGY: 441600 3900.2119 20513.7793 14450.4820 245.9811 -203892.8022 2988.6430 0.0000 0.0000 52128.9706 -109664.7342 299.5859 -161793.7049 -109302.8317 298.8901 255.4740 280.0421 758572.2593 21.3479 21.4082 PRESSURE: 441800 49.4294 -13.2052 -63.9558 -13.2054 -17.0172 -87.9486 -63.9563 -87.9479 233.715 GPRESSURE: 441800 67.9169 15.1056 -16.6168 42.8014 18.6764 35.6353 0.224847 -121.107 237.083 PRESSAVG: 441800 21.3808 31.9191 -9.20565 31.9191 -5.88934 22.3359 -9.20562 22.3359 11.7836 GPRESSAVG: 441800 21.1123 33.9693 -8.99739 29.1916 -6.07659 25.0508 -9.9358 22.2814 12.2645 TIMING: 441800 CPU: 1390.22, 0.0031276/step Wall: 1390.22, 0.0031276/step, 3.96006 hours remaining, 235.710938 MB of memory in use. ENERGY: 441800 3968.8320 20537.3453 14467.2553 232.7563 -203459.9294 2624.1027 0.0000 0.0000 52055.5781 -109574.0597 299.1641 -161629.6378 -109206.8295 298.7307 88.7091 107.8920 759535.1005 9.0917 9.1000 PRESSURE: 442000 -274.348 -37.3612 36.8761 -37.3607 -348.325 -131.879 36.8753 -131.879 -147.874 GPRESSURE: 442000 -210.542 -48.4237 6.86974 6.29503 -287.157 -140.467 63.3126 -199.463 -177.743 PRESSAVG: 442000 17.0397 -8.23977 3.29846 -8.23976 4.26383 -17.8019 3.29843 -17.8019 -20.3165 GPRESSAVG: 442000 16.2038 -10.9001 2.57845 -5.76707 5.00643 -18.38 3.37576 -17.1687 -20.632 TIMING: 442000 CPU: 1390.85, 0.00313591/step Wall: 1390.85, 0.00313591/step, 3.97041 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 442000 4071.1249 20382.3459 14406.0833 239.9525 -203443.5655 2532.6130 0.0000 0.0000 52189.3383 -109622.1077 299.9328 -161811.4459 -109264.2449 299.1443 -256.8490 -225.1474 760649.1037 0.3290 0.1927 PRESSURE: 442200 97.0069 -23.0001 224.534 -22.9992 77.9019 84.3626 224.534 84.3629 -44.3398 GPRESSURE: 442200 85.3138 120.655 183.841 -72.7065 104.402 113.233 149.654 -40.2818 9.38432 PRESSAVG: 442200 3.86818 44.6175 3.54405 44.6175 12.4504 -3.7004 3.5441 -3.70036 -12.2549 GPRESSAVG: 442200 3.82341 44.8738 1.36032 43.3434 11.4658 -3.71771 3.23188 -2.55831 -11.6386 TIMING: 442200 CPU: 1391.48, 0.00312516/step Wall: 1391.48, 0.00312516/step, 3.95663 hours remaining, 235.710938 MB of memory in use. ENERGY: 442200 3953.1826 20571.8428 14529.2105 260.6384 -203501.0339 2601.6684 0.0000 0.0000 52096.0111 -109488.4800 299.3965 -161584.4911 -109129.1505 299.3554 43.5230 66.3667 759792.1781 1.3546 1.2168 PRESSURE: 442400 -281.412 -188.624 -132.218 -188.623 -835.696 -101.406 -132.218 -101.407 47.7419 GPRESSURE: 442400 -251.973 -157.412 -151.69 -120.426 -609.797 -121.587 -44.3518 11.0773 -113.911 PRESSAVG: 442400 -21.7182 -14.5831 16.9769 -14.583 15.6112 15.0296 16.9769 15.0296 -4.9821 GPRESSAVG: 442400 -22.5482 -13.3346 18.1733 -13.4903 17.3997 14.9604 17.4247 14.0571 -5.78584 TIMING: 442400 CPU: 1392.1, 0.00312284/step Wall: 1392.1, 0.00312284/step, 3.95352 hours remaining, 235.710938 MB of memory in use. ENERGY: 442400 4035.8285 20743.4114 14491.3931 239.5437 -202975.4516 2286.8804 0.0000 0.0000 52186.2853 -108992.1091 299.9153 -161178.3944 -108627.0021 300.2648 -356.4556 -325.2270 762846.9194 -3.6964 -3.6448 PRESSURE: 442600 35.1955 -46.4446 134.697 -46.4448 48.0033 8.64945 134.697 8.64974 239.108 GPRESSURE: 442600 64.2687 -72.4749 60.2136 -125.445 23.7514 4.46259 201.871 87.791 304.64 PRESSAVG: 442600 -47.8763 2.73913 63.2706 2.7391 20.6521 -29.214 63.2707 -29.214 14.3624 GPRESSAVG: 442600 -47.0737 2.06208 62.7198 1.89642 19.5717 -28.6114 63.6015 -27.5121 14.977 TIMING: 442600 CPU: 1392.72, 0.00311171/step Wall: 1392.72, 0.00311171/step, 3.93925 hours remaining, 235.710938 MB of memory in use. ENERGY: 442600 3933.0432 20807.1046 14498.0826 253.4779 -203288.0384 2622.3601 0.0000 0.0000 52222.6887 -108951.2812 300.1245 -161173.9699 -108589.8927 300.1791 107.4356 130.8867 761711.4755 -4.2872 -4.1750 PRESSURE: 442800 45.1855 -20.4504 255.059 -20.451 -189.744 -68.4152 255.059 -68.4149 -28.3907 GPRESSURE: 442800 11.2554 -30.629 261.698 -115.41 -60.8984 -161.463 116.841 -56.0469 -33.1343 PRESSAVG: 442800 -17.2155 -9.37261 16.2826 -9.3726 32.2537 56.9321 16.2826 56.932 -12.4818 GPRESSAVG: 442800 -16.3394 -9.49356 16.4215 -9.70769 33.0424 54.5929 16.2411 55.9182 -13.5289 TIMING: 442800 CPU: 1393.35, 0.00312201/step Wall: 1393.35, 0.00312201/step, 3.95212 hours remaining, 235.710938 MB of memory in use. ENERGY: 442800 3975.8201 20510.7271 14425.7393 235.2216 -203200.0217 2724.5083 0.0000 0.0000 52251.7586 -109076.2466 300.2916 -161328.0051 -108702.6363 300.8440 -57.6496 -27.5924 762149.8818 0.8522 1.0581 PRESSURE: 443000 -40.751 56.7603 83.1177 56.7606 106.709 -122.493 83.1169 -122.495 212.051 GPRESSURE: 443000 -80.2194 -44.8204 119.676 8.69275 164.388 -26.102 77.0667 -237.387 280.306 PRESSAVG: 443000 -40.3467 -10.8442 54.7513 -10.8441 24.5274 5.59323 54.7513 5.59325 10.4935 GPRESSAVG: 443000 -41.8517 -11.9197 54.377 -9.81389 25.7076 8.5064 54.3107 2.4101 10.8347 TIMING: 443000 CPU: 1393.97, 0.00311565/step Wall: 1393.97, 0.00311565/step, 3.94389 hours remaining, 235.710938 MB of memory in use. ENERGY: 443000 4000.3080 20642.4790 14537.7161 271.7939 -203530.6953 2835.2851 0.0000 0.0000 52097.8791 -109145.2341 299.4072 -161243.1131 -108787.2698 300.3521 92.6695 121.4917 762210.5076 -1.7753 -1.7698 PRESSURE: 443200 -265.39 126.272 -173.262 126.272 118.147 228.91 -173.262 228.91 -347.745 GPRESSURE: 443200 -180.36 85.7721 -204.69 124.699 116.963 246.921 -123.701 250.222 -367.403 PRESSAVG: 443200 -54.9545 27.0072 14.0905 27.0071 66.1577 -2.23072 14.0906 -2.23068 -2.6014 GPRESSAVG: 443200 -54.5113 28.6849 13.0285 26.9984 64.2794 -5.44056 14.8671 1.87395 -1.54448 TIMING: 443200 CPU: 1394.6, 0.00315153/step Wall: 1394.6, 0.00315153/step, 3.98913 hours remaining, 235.710938 MB of memory in use. ENERGY: 443200 4020.4670 20707.4205 14456.0062 240.2530 -203253.2312 2567.0508 0.0000 0.0000 52268.5321 -108993.5016 300.3880 -161262.0338 -108634.2363 300.2026 -164.9959 -143.5999 762485.1453 2.8673 2.7412 PRESSURE: 443400 -135.291 -77.495 -134.132 -77.4945 -200.244 52.9388 -134.132 52.94 -143.716 GPRESSURE: 443400 -124.264 -127.362 -225.678 109.195 -173.552 7.4298 -206.13 76.389 -111.695 PRESSAVG: 443400 -27.3974 53.2565 -20.8927 53.2564 34.8622 -24.5621 -20.8927 -24.5621 -33.5057 GPRESSAVG: 443400 -26.9207 52.1778 -20.5345 53.0178 35.0616 -24.1303 -21.3652 -26.8227 -33.9827 TIMING: 443400 CPU: 1395.23, 0.00315109/step Wall: 1395.23, 0.00315109/step, 3.98841 hours remaining, 235.710938 MB of memory in use. ENERGY: 443400 3910.3716 20631.0531 14482.7584 249.6844 -203203.3209 2400.3149 0.0000 0.0000 52307.4941 -109221.6444 300.6119 -161529.1386 -108862.7513 300.6152 -159.7504 -136.5034 761268.8127 -8.6803 -8.6139 PRESSURE: 443600 -211.411 13.0605 190.459 13.0599 -116.781 -103.644 190.458 -103.644 464.029 GPRESSURE: 443600 -130.628 22.5011 310.998 167.867 -160.385 -168.903 52.9326 -85.0725 487.929 PRESSAVG: 443600 -40.6416 4.14145 -8.42202 4.14148 3.3261 -48.2758 -8.42199 -48.2758 11.2452 GPRESSAVG: 443600 -40.8313 3.54068 -6.88529 5.00619 3.05102 -46.0175 -8.35596 -47.5402 11.6555 TIMING: 443600 CPU: 1395.86, 0.00314633/step Wall: 1395.86, 0.00314633/step, 3.98221 hours remaining, 235.710938 MB of memory in use. ENERGY: 443600 3987.8988 20711.9693 14569.0158 229.1991 -203434.6946 2357.2023 0.0000 0.0000 52377.9353 -109201.4740 301.0167 -161579.4093 -108824.8309 300.1187 45.2793 65.6385 761546.2291 -8.6901 -8.7083 PRESSURE: 443800 -387.979 143.729 -227.739 143.729 -90.4586 163.532 -227.741 163.531 -41.5901 GPRESSURE: 443800 -412.895 146.219 -327.536 7.89601 -52.2072 181.775 -83.9231 236.915 30.2221 PRESSAVG: 443800 29.3419 -41.2723 -10.5031 -41.2723 -17.7942 29.2139 -10.5031 29.2139 8.82815 GPRESSAVG: 443800 29.4689 -39.1658 -13.6363 -43.5794 -18.317 27.6957 -10.3673 26.8979 9.08697 TIMING: 443800 CPU: 1396.49, 0.00313996/step Wall: 1396.49, 0.00313997/step, 3.97398 hours remaining, 235.710938 MB of memory in use. ENERGY: 443800 3975.9770 20666.8916 14535.4486 222.5705 -203114.8467 2229.0226 0.0000 0.0000 52239.3132 -109245.6232 300.2201 -161484.9365 -108885.8744 300.1128 -173.3426 -144.9602 762169.0782 6.7920 6.7463 PRESSURE: 444000 -235.269 -22.8264 67.2305 -22.8265 -94.005 49.788 67.2296 49.7882 41.9652 GPRESSURE: 444000 -171.008 -3.86697 132.05 87.8302 13.2423 165.877 57.7014 137.001 -37.1807 PRESSAVG: 444000 8.85412 -11.0295 -12.0894 -11.0295 -7.36188 7.78019 -12.0894 7.7803 -4.13025 GPRESSAVG: 444000 9.24237 -12.1666 -8.14145 -10.1921 -7.05076 7.50759 -13.3897 10.051 -4.46555 TIMING: 444000 CPU: 1397.12, 0.00313799/step Wall: 1397.12, 0.00313799/step, 3.97129 hours remaining, 235.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 444000 4165.2031 20479.9459 14443.8449 229.8965 -203063.2161 2520.4257 0.0000 0.0000 52031.2281 -109192.6719 299.0242 -161223.9000 -108834.4089 300.4297 -95.7695 -64.9821 761230.4456 -0.8793 -0.7580 PRESSURE: 444200 -261.742 69.7352 -151.259 69.7354 -73.7078 275.339 -151.26 275.34 -147.174 GPRESSURE: 444200 -231.955 35.8024 -72.9939 157.917 -82.9854 248.047 -61.2245 297.586 -70.7681 PRESSAVG: 444200 1.032 -6.34634 -22.8881 -6.34632 -30.6268 -39.3554 -22.8881 -39.3555 2.26936 GPRESSAVG: 444200 -0.338659 -4.92275 -23.3216 -6.30951 -29.5366 -39.3449 -22.9432 -40.3938 2.40623 TIMING: 444200 CPU: 1397.74, 0.00312313/step Wall: 1397.74, 0.00312313/step, 3.95232 hours remaining, 235.710938 MB of memory in use. ENERGY: 444200 3948.0233 20489.7330 14474.5718 243.1000 -203380.7825 2474.7225 0.0000 0.0000 52243.5944 -109507.0375 300.2447 -161750.6319 -109146.8531 299.9859 -160.8746 -128.5696 761558.2908 -9.1085 -9.1564 LDB: ============= START OF LOAD BALANCING ============== 1410.19 LDB: ============== END OF LOAD BALANCING =============== 1410.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1410.19 LDB: ============= START OF LOAD BALANCING ============== 1410.5 LDB: Largest compute 7026 load 0.036090 is 18.5% of average load 0.195028 LDB: Average compute 0.004382 is 2.2% of average load 0.195028 LDB: TIME 1410.51 LOAD: AVG 0.195028 MAX 0.213011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.508 MB LDB: TIME 1410.51 LOAD: AVG 0.195028 MAX 0.213011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: TIME 1410.51 LOAD: AVG 0.195028 MAX 0.213011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.512 MB LDB: ============== END OF LOAD BALANCING =============== 1410.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1410.51 PRESSURE: 444400 192.207 -202.404 334.053 -202.404 447.431 -111.047 334.053 -111.047 195.588 GPRESSURE: 444400 216.884 -246.92 257.203 -220.781 445.733 -45.6575 217.195 -150.31 274.861 PRESSAVG: 444400 -49.8175 -25.5085 38.1378 -25.5084 11.6805 -28.2085 38.1378 -28.2086 7.14573 GPRESSAVG: 444400 -48.448 -25.1537 38.6163 -25.3257 11.6635 -28.2305 38.2354 -26.0029 5.99605 TIMING: 444400 CPU: 1398.38, 0.00319355/step Wall: 1398.38, 0.00319355/step, 4.04126 hours remaining, 236.023438 MB of memory in use. ENERGY: 444400 3967.8048 20569.0858 14452.4052 254.3586 -204207.0394 2913.8923 0.0000 0.0000 52247.0484 -109802.4443 300.2645 -162049.4927 -109447.1884 299.2367 278.4085 312.4926 760872.7764 -10.3304 -10.2628 PRESSURE: 444600 -214.354 208.002 -159.671 208.002 -71.0706 -186.94 -159.671 -186.94 387.503 GPRESSURE: 444600 -167.486 72.1725 -221.504 173.886 -6.43573 -159.807 -236.714 -119.455 378.43 PRESSAVG: 444600 -51.8143 -17.2086 5.64955 -17.2086 58.7018 14.786 5.64955 14.786 -23.1416 GPRESSAVG: 444600 -52.1379 -18.3633 4.89954 -16.9633 58.2204 16.3972 5.29769 11.9815 -23.0204 TIMING: 444600 CPU: 1399.01, 0.00314703/step Wall: 1399.01, 0.00314703/step, 3.98222 hours remaining, 236.023438 MB of memory in use. ENERGY: 444600 4005.6153 20724.3443 14546.9209 259.0280 -204044.9880 2794.2665 0.0000 0.0000 52096.5695 -109618.2434 299.3997 -161714.8130 -109265.8924 299.2395 34.0261 68.1695 761081.4091 -5.4180 -5.6460 PRESSURE: 444800 -13.9224 46.8403 -142.358 46.8408 -182.486 97.3056 -142.359 97.3052 -89.5695 GPRESSURE: 444800 107.768 17.5561 -112.521 -38.9983 -166.4 190.775 32.4456 98.6555 -129.299 PRESSAVG: 444800 -21.1734 -19.5795 30.0213 -19.5795 69.4408 -55.0348 30.0213 -55.0348 5.01373 GPRESSAVG: 444800 -20.6024 -19.1326 30.8069 -20.7135 68.5114 -56.7021 30.0125 -51.5517 5.56771 TIMING: 444800 CPU: 1399.64, 0.00316255/step Wall: 1399.64, 0.00316255/step, 4.00168 hours remaining, 236.023438 MB of memory in use. ENERGY: 444800 4000.1720 20535.1957 14463.8592 251.0748 -203907.2594 2882.1044 0.0000 0.0000 52111.3618 -109663.4916 299.4847 -161774.8534 -109295.3784 299.4507 -95.3260 -62.6439 762237.5878 17.7604 17.8256 PRESSURE: 445000 -79.2017 91.4894 -22.4558 91.4896 -276.78 43.4346 -22.4553 43.4352 -118.542 GPRESSURE: 445000 -128.759 58.6608 -152.956 81.4209 -134.501 50.6681 1.93389 -71.3315 -119.869 PRESSAVG: 445000 2.38125 18.2394 -27.543 18.2394 7.10102 -5.91857 -27.5429 -5.91849 17.995 GPRESSAVG: 445000 1.27942 18.6665 -28.9409 19.0355 9.00536 -6.09977 -26.1567 -8.08221 17.8028 TIMING: 445000 CPU: 1400.27, 0.00315544/step Wall: 1400.27, 0.00315544/step, 3.99251 hours remaining, 236.023438 MB of memory in use. ENERGY: 445000 4002.0700 20576.6853 14435.9013 247.7798 -203623.2639 2440.5771 0.0000 0.0000 52161.5859 -109758.6646 299.7734 -161920.2504 -109392.2601 299.0064 -158.1744 -127.7098 761790.4297 9.1591 9.3625 PRESSURE: 445200 55.7612 -31.343 37.7475 -31.3426 332.959 32.4884 37.748 32.4876 72.4566 GPRESSURE: 445200 135.853 -179.415 66.4763 46.8334 358.321 89.6123 -90.5526 -34.9863 65.5493 PRESSAVG: 445200 8.07274 50.7334 -17.8639 50.7334 -49.3829 19.0527 -17.8639 19.0526 36.156 GPRESSAVG: 445200 7.39455 50.3055 -17.6408 52.272 -49.3082 19.2044 -18.7581 18.6694 36.8689 TIMING: 445200 CPU: 1400.9, 0.00313113/step Wall: 1400.9, 0.00313113/step, 3.96158 hours remaining, 236.023438 MB of memory in use. ENERGY: 445200 4042.2953 20675.2476 14400.4163 263.0395 -204087.7386 2961.3110 0.0000 0.0000 52139.2413 -109606.1875 299.6449 -161745.4288 -109249.7742 298.8719 153.7256 186.5743 760006.1938 -1.7181 -1.6816 PRESSURE: 445400 -295.616 -47.1491 -81.0474 -47.1493 -133.707 13.7782 -81.0472 13.7776 -537.404 GPRESSURE: 445400 -253.012 -89.4216 -131.931 96.8033 -90.6705 92.5774 -46.2039 -48.7234 -531.09 PRESSAVG: 445400 -8.1042 -16.2169 27.5003 -16.217 37.4876 -34.2397 27.5003 -34.2397 -25.7258 GPRESSAVG: 445400 -8.6091 -15.8697 27.0635 -20.789 37.9168 -33.2886 24.5882 -33.5025 -26.018 TIMING: 445400 CPU: 1401.53, 0.00315475/step Wall: 1401.53, 0.00315474/step, 3.99128 hours remaining, 236.023438 MB of memory in use. ENERGY: 445400 3998.8686 20505.3002 14441.3120 224.8668 -203499.1129 2532.2632 0.0000 0.0000 52264.2618 -109532.2403 300.3634 -161796.5021 -109163.1259 299.6728 -322.2423 -291.5907 762270.3603 1.2192 1.0966 PRESSURE: 445600 -169.502 -69.8377 -176.8 -69.8378 -0.0771232 119.965 -176.8 119.966 155.222 GPRESSURE: 445600 -106.178 -27.4903 -97.3261 -65.4519 61.3973 90.9688 -259.381 114.12 105.668 PRESSAVG: 445600 15.9525 35.5708 25.8551 35.5707 -13.0818 20.4931 25.8551 20.4931 6.37446 GPRESSAVG: 445600 17.0859 36.1699 25.9828 38.0816 -14.9485 19.9844 28.194 19.2633 6.73094 TIMING: 445600 CPU: 1402.16, 0.00315122/step Wall: 1402.16, 0.00315122/step, 3.98664 hours remaining, 236.023438 MB of memory in use. ENERGY: 445600 3915.2097 20538.8632 14468.9116 264.2781 -203517.1937 2782.7040 0.0000 0.0000 52210.1765 -109337.0507 300.0526 -161547.2272 -108968.2274 299.2766 -4.7855 20.2955 761753.8438 3.0817 2.9561 PRESSURE: 445800 175.259 112.187 -104.882 112.187 327.493 14.7193 -104.882 14.7193 321.433 GPRESSURE: 445800 156.207 208.773 -49.6025 118.634 329.077 -1.52445 -127.58 147.078 424.136 PRESSAVG: 445800 -61.0179 5.76759 -33.2242 5.76765 48.0034 33.2583 -33.2242 33.2582 10.1882 GPRESSAVG: 445800 -61.2816 4.85331 -32.7081 7.07068 48.4901 33.2861 -32.6726 33.7827 10.3322 TIMING: 445800 CPU: 1402.79, 0.00314091/step Wall: 1402.79, 0.00314091/step, 3.97342 hours remaining, 236.023438 MB of memory in use. ENERGY: 445800 4016.5307 20691.9711 14409.6390 232.7707 -203885.7359 2924.2950 0.0000 0.0000 52137.9006 -109472.6287 299.6372 -161610.5292 -109109.8927 299.2628 274.7286 303.1399 761236.4544 -0.9421 -0.8198 PRESSURE: 446000 333.019 -222.972 -131.167 -222.972 -124.138 -141.839 -131.168 -141.839 269.628 GPRESSURE: 446000 286.031 -179.797 -125.997 -301.284 32.0675 -122.31 -55.3142 -138.97 247.421 PRESSAVG: 446000 5.43784 -19.8032 -38.7611 -19.8032 11.8572 8.99868 -38.7611 8.9987 -10.3142 GPRESSAVG: 446000 6.5279 -20.0861 -40.0263 -20.4969 10.8896 9.45577 -39.6584 9.4124 -10.6401 TIMING: 446000 CPU: 1403.42, 0.00315293/step Wall: 1403.42, 0.00315293/step, 3.98845 hours remaining, 236.023438 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: 446000 3937.3563 20433.6344 14494.8936 248.0357 -203815.7381 3010.9597 0.0000 0.0000 52155.4105 -109535.4480 299.7379 -161690.8584 -109174.1865 299.2791 159.5031 188.5063 763284.4756 2.3270 2.2592 PRESSURE: 446200 -41.8197 31.3337 10.8647 31.3344 216.466 -173.503 10.8643 -173.503 144.169 GPRESSURE: 446200 42.6975 132.835 -70.6106 134.875 190.801 -124.459 -23.0391 -153.927 163.924 PRESSAVG: 446200 -7.19302 6.49379 -58.8306 6.49383 18.4265 -29.5148 -58.8306 -29.5147 4.91143 GPRESSAVG: 446200 -6.99515 7.21433 -58.5019 4.56165 17.8568 -29.7959 -58.0037 -29.6124 5.73104 TIMING: 446200 CPU: 1404.05, 0.00315655/step Wall: 1404.05, 0.00315655/step, 3.99286 hours remaining, 236.023438 MB of memory in use. ENERGY: 446200 3988.9271 20727.3985 14516.2147 241.5521 -203712.0012 2798.1103 0.0000 0.0000 52068.4389 -109371.3596 299.2380 -161439.7985 -109008.9179 298.9913 106.2717 132.4740 762141.0566 5.3817 5.5309 PRESSURE: 446400 -230.075 -21.9774 -217.378 -21.9774 -178.718 -95.8857 -217.379 -95.8856 -9.27792 GPRESSURE: 446400 -211.378 -68.4241 -275.767 88.5818 -156.119 -54.0627 -167.813 -14.4666 44.8759 PRESSAVG: 446400 13.5853 3.20303 10.8103 3.203 2.23794 -84.6151 10.8103 -84.615 11.2849 GPRESSAVG: 446400 13.4868 3.61476 8.58453 4.44427 3.33419 -84.5448 12.4303 -84.3436 10.5134 TIMING: 446400 CPU: 1404.68, 0.00315816/step Wall: 1404.68, 0.00315816/step, 3.99472 hours remaining, 236.023438 MB of memory in use. ENERGY: 446400 3915.5480 20676.1370 14515.1265 239.9827 -203716.1818 2711.9405 0.0000 0.0000 52262.5418 -109394.9053 300.3535 -161657.4471 -109020.3753 300.0402 -139.3571 -107.5404 761609.4645 9.0360 9.1115 PRESSURE: 446600 -81.3944 109.93 -65.5762 109.93 60.1614 -74.6033 -65.5756 -74.6033 -53.0747 GPRESSURE: 446600 -60.8495 119.238 -14.7792 35.0149 97.8867 -108.612 0.950025 -136.432 -24.9941 PRESSAVG: 446600 17.2552 2.4006 -44.3408 2.40057 17.3134 1.11296 -44.3409 1.11298 10.435 GPRESSAVG: 446600 17.7894 1.42497 -42.2391 3.64519 16.6336 -1.05445 -46.6242 1.36394 9.84701 TIMING: 446600 CPU: 1405.31, 0.00314758/step Wall: 1405.31, 0.00314758/step, 3.98116 hours remaining, 236.023438 MB of memory in use. ENERGY: 446600 4016.9875 20588.6483 14537.8828 254.8933 -203944.2229 2905.2737 0.0000 0.0000 52035.2010 -109605.3363 299.0470 -161640.5373 -109238.3670 299.5229 -24.7692 4.0144 763338.7132 15.0012 14.7567 PRESSURE: 446800 -291.561 -44.4296 -0.377057 -44.4298 -54.9725 -181.434 -0.37707 -181.435 -334.285 GPRESSURE: 446800 -183.497 75.7073 -1.09268 50.5963 -139.983 -148.321 -38.3822 -100.713 -265.791 PRESSAVG: 446800 76.5077 11.633 -26.5678 11.633 5.20374 -45.3771 -26.5678 -45.3771 -27.7533 GPRESSAVG: 446800 76.3901 11.903 -26.6327 11.0024 4.71958 -43.3532 -25.6926 -46.5325 -26.9352 TIMING: 446800 CPU: 1405.94, 0.00315595/step Wall: 1405.94, 0.00315595/step, 3.99157 hours remaining, 236.023438 MB of memory in use. ENERGY: 446800 4062.2718 20743.9384 14492.0277 236.8523 -203353.5623 2171.4828 0.0000 0.0000 52138.2872 -109508.7020 299.6395 -161646.9892 -109150.7163 299.5275 -226.9396 -196.4239 760988.8933 17.9860 18.0581 PRESSURE: 447000 -175.063 -51.0919 53.1315 -51.0921 68.6723 -8.37998 53.1322 -8.38012 262.412 GPRESSURE: 447000 -120.605 -74.2883 12.3929 -19.1148 126.755 -50.0951 -35.6446 -56.7647 224.052 PRESSAVG: 447000 -11.3546 14.9982 -49.2605 14.9982 1.52564 -14.7784 -49.2606 -14.7784 8.58843 GPRESSAVG: 447000 -10.7222 17.1082 -48.9298 12.7978 2.39573 -15.3202 -49.9913 -12.5857 7.30374 TIMING: 447000 CPU: 1406.57, 0.00314936/step Wall: 1406.57, 0.00314936/step, 3.98307 hours remaining, 236.023438 MB of memory in use. ENERGY: 447000 3943.1267 20604.0807 14431.3762 252.0960 -203887.1367 2601.8042 0.0000 0.0000 52172.2980 -109882.3549 299.8349 -162054.6529 -109520.0304 299.1098 52.0071 76.7342 760714.9540 -0.4135 -0.3409 PRESSURE: 447200 -177.854 19.7399 -83.9651 19.74 46.5275 -113.869 -83.9653 -113.869 119.616 GPRESSURE: 447200 -152.736 -108.955 -65.6319 145.661 75.6764 -39.4759 -59.3155 -121.404 143.984 PRESSAVG: 447200 15.7762 13.0829 -38.8717 13.0828 23.9093 -14.3717 -38.8717 -14.3717 0.227671 GPRESSAVG: 447200 14.6116 10.5941 -38.5912 13.4205 24.3858 -11.9353 -41.0015 -15.222 1.08014 TIMING: 447200 CPU: 1407.2, 0.0031253/step Wall: 1407.2, 0.0031253/step, 3.95246 hours remaining, 236.023438 MB of memory in use. ENERGY: 447200 4040.3273 20522.2560 14481.1423 246.4736 -204073.7627 2823.4987 0.0000 0.0000 52171.8010 -109788.2637 299.8321 -161960.0647 -109417.7047 299.1580 -3.9033 22.3082 761792.1112 13.3044 13.3592 PRESSURE: 447400 -335.398 167.758 -227.375 167.758 -453.568 -47.0328 -227.375 -47.0333 -154.555 GPRESSURE: 447400 -310.528 234.357 -260.65 116.872 -384.172 -16.683 -166.064 -14.2773 -171.77 PRESSAVG: 447400 -55.002 -6.84406 -27.7285 -6.84402 14.4671 -26.8886 -27.7286 -26.8886 14.8022 GPRESSAVG: 447400 -54.4169 -6.04702 -28.6231 -4.88902 14.2425 -27.3616 -23.9175 -27.7778 14.2815 TIMING: 447400 CPU: 1407.82, 0.00313512/step Wall: 1407.82, 0.00313512/step, 3.96471 hours remaining, 236.023438 MB of memory in use. ENERGY: 447400 3993.6258 20721.6749 14494.1108 249.5013 -203819.6325 2618.3470 0.0000 0.0000 52059.4455 -109682.9271 299.1863 -161742.3726 -109322.1886 299.3367 -314.5071 -288.8232 761231.4062 -8.5775 -8.6310 PRESSURE: 447600 79.8445 108.904 130.544 108.903 -45.1616 39.9325 130.544 39.9324 -329.585 GPRESSURE: 447600 62.9692 147.814 160.861 115.186 18.4923 35.1338 144.555 -93.3278 -293.234 PRESSAVG: 447600 14.2461 5.36528 32.8566 5.36528 -0.453731 -49.864 32.8566 -49.864 8.18305 GPRESSAVG: 447600 13.9984 6.09284 33.4471 3.64717 -0.385235 -51.3075 29.3775 -50.0414 8.94943 TIMING: 447600 CPU: 1408.45, 0.00314071/step Wall: 1408.45, 0.00314072/step, 3.97161 hours remaining, 236.023438 MB of memory in use. ENERGY: 447600 4029.2472 20406.4919 14528.4655 267.1299 -203807.8279 2849.9647 0.0000 0.0000 52071.6941 -109654.8346 299.2567 -161726.5286 -109290.9151 299.2257 -98.3006 -70.5908 760762.9793 7.3252 7.5208 PRESSURE: 447800 -188.878 66.2268 -217.165 66.226 -14.324 -284.604 -217.165 -284.604 162.552 GPRESSURE: 447800 -209.964 13.8398 -117.365 192.632 49.6759 -294.343 -84.2937 -291.958 175.549 PRESSAVG: 447800 -40.6223 8.16442 -4.27717 8.1644 5.28107 18.9464 -4.2772 18.9464 7.86569 GPRESSAVG: 447800 -39.3152 8.04232 -3.31056 10.9004 4.56537 19.6338 -1.09102 19.0042 7.49642 TIMING: 447800 CPU: 1409.08, 0.00313953/step Wall: 1409.08, 0.00313953/step, 3.96993 hours remaining, 236.023438 MB of memory in use. ENERGY: 447800 3959.1212 20568.1685 14414.5248 259.9915 -203343.6058 2397.8785 0.0000 0.0000 52128.5822 -109615.3391 299.5837 -161743.9213 -109253.0012 299.0525 -13.5501 5.0871 761742.5134 -9.1585 -9.0845 PRESSURE: 448000 -158.404 -175.638 -98.8435 -175.638 119.923 -120.909 -98.8423 -120.908 79.5553 GPRESSURE: 448000 -86.3515 -48.2545 -147.06 -203.922 117.39 -104.495 -258.313 -164.718 88.495 PRESSAVG: 448000 -12.8083 28.4382 54.0302 28.4382 16.3821 -43.5055 54.0302 -43.5054 6.81168 GPRESSAVG: 448000 -12.9728 29.4102 54.3956 26.5497 16.1495 -42.4083 50.5824 -42.098 7.04497 TIMING: 448000 CPU: 1409.71, 0.00314585/step Wall: 1409.71, 0.00314585/step, 3.97775 hours remaining, 236.023438 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: 448000 4066.4215 20496.9059 14530.1783 244.2501 -203910.8198 2966.6559 0.0000 0.0000 52017.7265 -109588.6817 298.9466 -161606.4082 -109234.0418 299.1269 13.6913 39.8446 761112.7818 3.4618 3.4072 PRESSURE: 448200 -47.4038 86.5283 178.251 86.5279 18.3838 47.9596 178.251 47.9606 124.49 GPRESSURE: 448200 -85.6855 18.5464 39.4729 62.5571 104.265 54.9572 111.105 121.076 156.213 PRESSAVG: 448200 89.8707 -19.9904 29.5702 -19.9904 -69.2893 47.9402 29.5701 47.9402 -9.91244 GPRESSAVG: 448200 89.3308 -21.1947 28.9114 -21.119 -69.1554 46.9706 29.5526 46.9563 -10.0443 TIMING: 448200 CPU: 1410.34, 0.00314104/step Wall: 1410.34, 0.00314104/step, 3.97149 hours remaining, 236.023438 MB of memory in use. ENERGY: 448200 3954.2547 20508.7913 14483.5034 242.3096 -203488.0300 2652.3075 0.0000 0.0000 52175.1167 -109471.7469 299.8511 -161646.8636 -109104.8507 299.1313 31.8232 58.2639 761161.6149 3.5563 3.3770 LDB: ============= START OF LOAD BALANCING ============== 1422.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1422.79 LDB: =============== DONE WITH MIGRATION ================ 1422.79 LDB: ============= START OF LOAD BALANCING ============== 1423.1 LDB: Largest compute 7029 load 0.034632 is 17.8% of average load 0.194902 LDB: Average compute 0.004396 is 2.3% of average load 0.194902 LDB: TIME 1423.11 LOAD: AVG 0.194902 MAX 0.215581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.305 MB LDB: TIME 1423.11 LOAD: AVG 0.194902 MAX 0.215581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: TIME 1423.11 LOAD: AVG 0.194902 MAX 0.215581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: ============== END OF LOAD BALANCING =============== 1423.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1423.11 PRESSURE: 448400 47.2705 -37.8262 -8.86175 -37.8262 -137.166 -184.466 -8.86273 -184.467 -126.914 GPRESSURE: 448400 48.9616 -3.91287 -33.9547 22.9011 -58.3524 -102.572 -12.3239 -264.202 -113.268 PRESSAVG: 448400 15.6037 -0.443214 -7.99251 -0.443205 -2.71389 43.7878 -7.9925 43.7879 -0.579784 GPRESSAVG: 448400 14.6242 1.32362 -7.972 1.56357 -2.81462 44.2875 -7.47924 40.6356 1.28524 TIMING: 448400 CPU: 1410.98, 0.00320847/step Wall: 1410.98, 0.00320847/step, 4.05657 hours remaining, 235.429688 MB of memory in use. ENERGY: 448400 3904.1712 20687.4340 14570.4896 244.1232 -203350.7056 2577.8426 0.0000 0.0000 52091.0113 -109275.6337 299.3678 -161366.6450 -108909.1392 299.2744 -72.2700 -40.8862 760935.6412 4.1034 4.3649 PRESSURE: 448600 228.145 54.8242 17.8947 54.8239 -64.7019 -247.391 17.8943 -247.391 356.242 GPRESSURE: 448600 274.761 35.2073 29.3432 129.222 -74.9853 -209.56 -162.204 -231.614 389.836 PRESSAVG: 448600 -70.9664 6.05944 35.1184 6.05936 49.8372 19.5764 35.1184 19.5764 8.94188 GPRESSAVG: 448600 -69.7313 2.31313 34.9069 7.10492 50.2954 19.9662 35.1199 21.2469 7.16919 TIMING: 448600 CPU: 1411.61, 0.00316627/step Wall: 1411.61, 0.00316627/step, 4.00304 hours remaining, 235.429688 MB of memory in use. ENERGY: 448600 3996.3765 20413.9417 14452.0540 246.7007 -203486.1877 2763.7820 0.0000 0.0000 52233.8585 -109379.4744 300.1887 -161613.3329 -109012.1830 300.1188 173.2286 196.5374 762447.4494 -4.0624 -4.0889 PRESSURE: 448800 -84.1782 55.8463 20.4491 55.8463 345.125 -235.208 20.4496 -235.209 -6.30708 GPRESSURE: 448800 -52.1771 -6.02305 -42.9323 44.1556 257.87 -147.086 90.391 -236.37 106.45 PRESSAVG: 448800 -63.4946 -45.6026 -39.1572 -45.6026 65.2949 -13.938 -39.1572 -13.9379 -5.35493 GPRESSAVG: 448800 -64.1349 -41.9608 -39.2595 -49.0622 65.1027 -13.5668 -39.1581 -12.0383 -4.33764 TIMING: 448800 CPU: 1412.24, 0.003154/step Wall: 1412.24, 0.003154/step, 3.98736 hours remaining, 235.429688 MB of memory in use. ENERGY: 448800 4009.3328 20560.4067 14451.5098 241.4625 -203179.6978 2544.0721 0.0000 0.0000 52014.6841 -109358.2298 298.9291 -161372.9139 -108996.0060 299.5115 84.8798 104.0477 763411.9009 -1.1849 -1.1233 PRESSURE: 449000 194.51 101.058 34.8769 101.059 488.313 92.6668 34.8775 92.6664 571.437 GPRESSURE: 449000 261.77 44.0088 -19.8014 115.015 523.206 76.6233 101.872 42.7218 532.708 PRESSAVG: 449000 -32.5351 -8.15381 -6.32799 -8.1538 33.8369 7.31952 -6.32797 7.31957 -6.62832 GPRESSAVG: 449000 -32.1161 -8.77972 -7.65735 -6.91693 32.7328 6.86177 -6.1196 7.51911 -5.29305 TIMING: 449000 CPU: 1412.87, 0.00314935/step Wall: 1412.87, 0.00314935/step, 3.9813 hours remaining, 235.429688 MB of memory in use. ENERGY: 449000 3976.7669 20503.2770 14474.7241 233.8320 -203692.2538 2848.2382 0.0000 0.0000 52235.4367 -109419.9788 300.1978 -161655.4156 -109061.3347 299.1248 418.0867 439.2280 761129.2192 -1.7755 -1.5588 PRESSURE: 449200 175.326 181.191 23.1053 181.19 302.188 181.78 23.1046 181.78 10.6518 GPRESSURE: 449200 231.939 147.293 -18.32 161.829 339.361 114.734 1.4426 158.796 4.14369 PRESSAVG: 449200 -43.9416 -57.1717 -5.97286 -57.1717 42.8952 23.5496 -5.9728 23.5496 -14.9925 GPRESSAVG: 449200 -43.405 -57.0221 -3.08799 -57.8496 45.007 22.0885 -6.1996 22.3034 -17.5975 TIMING: 449200 CPU: 1413.5, 0.00313535/step Wall: 1413.5, 0.00313535/step, 3.96343 hours remaining, 235.429688 MB of memory in use. ENERGY: 449200 3923.6208 20572.8343 14502.4841 259.9453 -203338.9602 2701.3659 0.0000 0.0000 51969.5075 -109409.2024 298.6695 -161378.7099 -109057.3285 299.1736 162.7221 191.8146 760451.3796 -5.3463 -5.3318 PRESSURE: 449400 -152.667 -25.3238 92.3801 -25.3247 167.883 -185.24 92.3804 -185.239 -69.8358 GPRESSURE: 449400 -94.5926 51.4158 24.6159 -150.349 95.0133 -127.107 98.992 -158.003 33.815 PRESSAVG: 449400 -30.6015 13.7126 -21.1407 13.7126 38.9933 -15.2706 -21.1407 -15.2705 -14.8698 GPRESSAVG: 449400 -30.624 13.1957 -22.5424 13.3262 38.2161 -15.2163 -19.0198 -15.0323 -13.577 TIMING: 449400 CPU: 1414.13, 0.00315236/step Wall: 1414.13, 0.00315236/step, 3.98476 hours remaining, 235.429688 MB of memory in use. ENERGY: 449400 3959.0808 20508.1637 14509.0250 282.8451 -203353.9091 2629.2077 0.0000 0.0000 52279.6207 -109185.9661 300.4517 -161465.5868 -108825.5488 299.4227 -18.2067 11.4119 762202.4253 -2.1593 -1.9950 PRESSURE: 449600 104.131 261.89 -53.1861 261.89 129.876 -79.7598 -53.1854 -79.7595 288.462 GPRESSURE: 449600 168.632 239.785 -98.0281 190.35 247.995 -31.6264 126.096 -97.9567 179.456 PRESSAVG: 449600 33.6526 37.947 -14.9852 37.9471 -11.2766 -2.36233 -14.9852 -2.36225 45.747 GPRESSAVG: 449600 32.3644 38.6471 -14.4478 37.6971 -10.4507 -0.297775 -17.9151 -2.22577 45.3461 TIMING: 449600 CPU: 1414.76, 0.00314675/step Wall: 1414.76, 0.00314675/step, 3.97749 hours remaining, 235.429688 MB of memory in use. ENERGY: 449600 4082.4442 20448.8140 14593.3103 258.5015 -203436.5873 2561.6630 0.0000 0.0000 52116.0339 -109375.8205 299.5116 -161491.8543 -109019.8910 299.5009 174.1563 198.6942 760305.1940 22.7077 22.4200 PRESSURE: 449800 -178.454 -218.819 76.3773 -218.82 -378.152 226.06 76.3771 226.06 43.6342 GPRESSURE: 449800 -135.928 -203.889 91.5388 -250.339 -313.841 240.279 97.5039 195.883 20.1527 PRESSAVG: 449800 9.25675 -21.9346 18.1919 -21.9346 -27.8756 10.1554 18.1919 10.1555 7.12998 GPRESSAVG: 449800 10.9368 -25.1752 16.6806 -20.7991 -30.0371 7.85461 20.3993 11.0648 7.13552 TIMING: 449800 CPU: 1415.39, 0.00313515/step Wall: 1415.39, 0.00313515/step, 3.96265 hours remaining, 235.429688 MB of memory in use. ENERGY: 449800 3971.5860 20506.6240 14450.6308 238.9987 -203480.4302 2671.2837 0.0000 0.0000 52050.8180 -109590.4889 299.1368 -161641.3069 -109230.3392 298.8968 -170.9908 -143.2057 761390.5016 -3.8296 -3.9883 PRESSURE: 450000 -434.448 -54.3325 -171.492 -54.3321 37.8631 161.894 -171.491 161.895 207.672 GPRESSURE: 450000 -284.006 -123.596 -243.993 -5.75425 -4.67828 149.792 -163.733 143.678 191.928 PRESSAVG: 450000 23.9166 -32.4966 -19.3683 -32.4966 -7.91387 -2.5533 -19.3683 -2.55329 -27.4327 GPRESSAVG: 450000 21.8773 -29.4313 -19.1845 -31.6173 -7.16062 -0.871194 -18.85 -2.67028 -26.096 TIMING: 450000 CPU: 1416.02, 0.00315277/step Wall: 1416.02, 0.00315277/step, 3.98476 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: 450000 4019.6876 20478.8838 14387.9822 264.4000 -203091.3642 2577.2790 0.0000 0.0000 51816.7863 -109546.3454 297.7918 -161363.1317 -109187.8403 298.7037 -62.9711 -32.2519 761884.4574 -3.8100 -3.7931 PRESSURE: 450200 -162.457 -206.532 -75.1372 -206.531 -163.353 38.5071 -75.1367 38.5066 102.884 GPRESSURE: 450200 -137.874 -124.114 22.5366 -48.1735 -159.937 105.606 -54.1313 51.4089 174.198 PRESSAVG: 450200 8.73439 -27.3563 -18.2644 -27.3564 -24.7523 -13.4207 -18.2644 -13.4207 15.4875 GPRESSAVG: 450200 10.1324 -26.2348 -16.6704 -28.6204 -25.4507 -14.286 -19.5767 -13.6168 14.5983 TIMING: 450200 CPU: 1416.64, 0.0031256/step Wall: 1416.64, 0.0031256/step, 3.95024 hours remaining, 235.429688 MB of memory in use. ENERGY: 450200 4035.3650 20451.8423 14509.6506 244.4642 -203730.3851 2686.2468 0.0000 0.0000 52044.2306 -109758.5856 299.0989 -161802.8162 -109400.8467 298.7542 -74.3088 -41.2043 759358.3159 -0.1768 -0.2400 PRESSURE: 450400 -19.7943 16.8047 -35.9353 16.804 -182.417 -105.946 -35.9347 -105.946 168.824 GPRESSURE: 450400 56.1289 11.5162 -94.1178 90.8369 -113.112 -96.508 41.26 -193.392 128.612 PRESSAVG: 450400 -11.6574 13.1834 -1.01738 13.1834 11.8247 28.9093 -1.01738 28.9092 -11.4582 GPRESSAVG: 450400 -12.9492 12.2081 -1.31874 12.264 11.8397 28.9989 -1.49861 27.4138 -10.5335 TIMING: 450400 CPU: 1417.27, 0.0031512/step Wall: 1417.27, 0.00315121/step, 3.98242 hours remaining, 235.429688 MB of memory in use. ENERGY: 450400 3926.0283 20592.7312 14489.4014 263.6363 -203472.3903 2517.1901 0.0000 0.0000 52070.0490 -109613.3539 299.2473 -161683.4029 -109248.4186 299.1399 -11.1290 23.8761 760094.0327 -3.7637 -3.8810 PRESSURE: 450600 148.899 -4.46328 31.365 -4.4634 -124.332 -66.8599 31.3646 -66.8598 75.134 GPRESSURE: 450600 197.164 -9.53592 119.048 139.803 -118.965 -112.495 34.8036 -129.554 111.541 PRESSAVG: 450600 34.4352 61.5615 -12.5159 61.5615 -38.901 -57.3806 -12.5159 -57.3806 19.6878 GPRESSAVG: 450600 35.5059 61.8585 -13.231 62.8381 -38.7504 -58.4658 -13.3994 -56.7025 18.3124 TIMING: 450600 CPU: 1417.9, 0.00313818/step Wall: 1417.9, 0.00313818/step, 3.96578 hours remaining, 235.429688 MB of memory in use. ENERGY: 450600 3907.0809 20610.6217 14535.2778 250.6963 -203526.6534 2557.2477 0.0000 0.0000 51947.8965 -109717.8326 298.5453 -161665.7290 -109351.4595 298.5626 33.2336 63.2466 759847.0520 5.0740 5.0226 PRESSURE: 450800 16.2194 64.2712 -249.348 64.2716 157.215 -254.698 -249.348 -254.697 -57.6715 GPRESSURE: 450800 27.8572 -35.6052 -208.194 55.3622 232.131 -389.048 -206.46 -243.044 -56.3614 PRESSAVG: 450800 47.4684 -4.60975 -54.0419 -4.60972 -79.4372 -36.3294 -54.0419 -36.3294 1.74445 GPRESSAVG: 450800 47.0839 -4.41884 -54.6652 -4.16302 -79.6549 -34.7673 -52.3461 -36.7685 2.66428 TIMING: 450800 CPU: 1418.53, 0.00312836/step Wall: 1418.53, 0.00312836/step, 3.9532 hours remaining, 235.429688 MB of memory in use. ENERGY: 450800 3917.3181 20462.8876 14421.1087 256.6310 -203262.4844 2446.0750 0.0000 0.0000 51913.8043 -109844.6597 298.3493 -161758.4640 -109474.4120 298.5436 38.5876 67.8757 760476.3707 -10.0748 -9.9689 PRESSURE: 451000 -319.579 143.355 -74.1554 143.356 19.0143 254.839 -74.156 254.838 -179.258 GPRESSURE: 451000 -265.501 36.7357 17.0408 135.636 80.267 193.178 -175.008 161.485 -194.275 PRESSAVG: 451000 3.10635 -31.4717 -8.35408 -31.4717 -15.3841 2.12101 -8.3541 2.12096 14.3941 GPRESSAVG: 451000 2.81476 -30.4583 -7.03811 -32.4007 -14.6929 1.71277 -9.11742 2.02446 14.0472 TIMING: 451000 CPU: 1419.16, 0.00315757/step Wall: 1419.16, 0.00315757/step, 3.98994 hours remaining, 235.429688 MB of memory in use. ENERGY: 451000 4011.3296 20472.4586 14424.7701 260.7672 -203550.5086 2639.0611 0.0000 0.0000 51917.8937 -109824.2283 298.3728 -161742.1220 -109469.1941 298.0928 -159.9409 -126.5028 760665.9121 0.7054 0.7230 PRESSURE: 451200 13.0653 -29.8333 -17.2286 -29.8332 306.456 -43.1263 -17.2284 -43.125 205.263 GPRESSURE: 451200 88.5111 -46.8314 -16.8089 25.393 192.139 -22.7725 2.05393 -65.9088 305.75 PRESSAVG: 451200 -53.0889 -40.0129 -36.8681 -40.0129 56.045 1.86484 -36.8681 1.86483 -9.32005 GPRESSAVG: 451200 -52.7219 -41.0808 -37.0766 -39.4408 55.0598 1.6136 -36.7735 2.33141 -8.43231 TIMING: 451200 CPU: 1419.78, 0.0031216/step Wall: 1419.78, 0.0031216/step, 3.94431 hours remaining, 235.429688 MB of memory in use. ENERGY: 451200 4003.9373 20543.3782 14497.6365 240.4238 -203379.8670 2356.0396 0.0000 0.0000 51848.3191 -109890.1327 297.9730 -161738.4518 -109534.6585 298.6225 174.9281 195.4665 759462.9162 -2.1213 -2.0315 PRESSURE: 451400 -134.946 88.634 -18.4604 88.6338 90.3927 40.5203 -18.4612 40.5208 123.782 GPRESSURE: 451400 -16.9774 182.298 -3.9675 37.4215 118.195 35.181 13.1691 -134.68 58.9986 PRESSAVG: 451400 -67.689 19.6135 45.4344 19.6134 59.4976 5.79853 45.4345 5.79847 31.1981 GPRESSAVG: 451400 -68.1553 21.0644 45.0755 18.7445 60.2363 5.39181 47.1181 4.26314 30.984 TIMING: 451400 CPU: 1420.4, 0.00311541/step Wall: 1420.4, 0.00311541/step, 3.93632 hours remaining, 235.429688 MB of memory in use. ENERGY: 451400 3968.4260 20379.3716 14469.1078 263.8984 -203465.9075 2681.1496 0.0000 0.0000 52034.3035 -109669.6505 299.0419 -161703.9541 -109306.2694 298.4557 26.4096 53.4054 760440.8758 7.6689 7.6883 PRESSURE: 451600 -254.687 132.88 181.793 132.881 -76.2043 -149.358 181.794 -149.358 -127.758 GPRESSURE: 451600 -99.9651 -3.7272 224.811 191.509 -129.931 -242.223 248.328 -127.996 -132.406 PRESSAVG: 451600 12.3564 32.8614 23.8057 32.8614 6.08085 2.14063 23.8057 2.14061 -6.1882 GPRESSAVG: 451600 14.5637 31.9132 24.6033 33.1623 5.98589 2.43795 23.6013 5.00901 -7.82794 TIMING: 451600 CPU: 1421.03, 0.00314066/step Wall: 1421.03, 0.00314066/step, 3.96804 hours remaining, 235.429688 MB of memory in use. ENERGY: 451600 4049.6528 20543.5544 14399.7696 248.8883 -203488.1715 2489.9315 0.0000 0.0000 52372.7052 -109383.6697 300.9867 -161756.3748 -109019.7745 298.8595 -152.8831 -120.7674 761867.5810 4.0830 4.2406 PRESSURE: 451800 -92.0053 111.312 82.3825 111.311 58.0434 -13.411 82.3822 -13.4108 192.458 GPRESSURE: 451800 -1.69962 133.815 73.6432 29.9902 45.1045 -93.1678 -107.012 112.594 197.673 PRESSAVG: 451800 -9.35014 39.5461 -20.5026 39.5461 -0.0194599 -4.30688 -20.5026 -4.3069 -3.68063 GPRESSAVG: 451800 -9.86386 38.3981 -21.4474 39.1517 -0.0613145 -5.1683 -23.7238 -4.27057 -3.18713 TIMING: 451800 CPU: 1421.66, 0.00313334/step Wall: 1421.66, 0.00313334/step, 3.95863 hours remaining, 235.429688 MB of memory in use. ENERGY: 451800 4063.0401 20546.8311 14521.0541 249.3407 -203356.9082 2512.5806 0.0000 0.0000 52126.2563 -109337.8054 299.5703 -161464.0617 -108969.2961 299.9111 52.8319 80.3593 760931.3000 -4.3501 -4.3708 PRESSURE: 452000 -238.942 124.512 -20.9284 124.513 -170.115 106.801 -20.9291 106.802 -272.076 GPRESSURE: 452000 -335.912 135.864 -15.2371 228.846 -3.7904 158.02 -15.0299 22.4125 -254.959 PRESSAVG: 452000 49.1782 27.7955 -70.9194 27.7954 37.9152 -34.5744 -70.9195 -34.5744 19.1358 GPRESSAVG: 452000 48.7388 28.0007 -70.9228 28.0085 38.1137 -33.7514 -71.5605 -35.9345 19.4547 TIMING: 452000 CPU: 1422.29, 0.00313759/step Wall: 1422.29, 0.00313758/step, 3.96382 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: 452000 4034.6711 20564.7751 14466.8887 229.2000 -203365.9950 2698.7679 0.0000 0.0000 52019.9556 -109351.7366 298.9594 -161371.6922 -108987.3267 299.9063 -227.0445 -198.2204 761852.8682 35.4097 35.4358 PRESSURE: 452200 -405.886 8.72862 96.2186 8.72855 -229.205 -151.967 96.2193 -151.965 -56.3301 GPRESSURE: 452200 -392.257 -131.143 118.079 21.429 -61.3412 -115.525 126.86 -67.0602 -131.918 PRESSAVG: 452200 -3.61557 -38.2824 31.6493 -38.2824 -9.94152 -15.2191 31.6493 -15.2191 5.36746 GPRESSAVG: 452200 -4.07748 -41.6581 31.6118 -36.6328 -8.23717 -16.3483 35.2734 -14.4365 3.94382 TIMING: 452200 CPU: 1422.91, 0.00313514/step Wall: 1422.91, 0.00313514/step, 3.96055 hours remaining, 235.429688 MB of memory in use. ENERGY: 452200 3968.8655 20487.2893 14444.6805 229.3866 -202868.3120 2259.8910 0.0000 0.0000 52164.8192 -109313.3799 299.7919 -161478.1991 -108949.3409 299.6784 -230.4736 -195.1724 762038.8038 -2.7299 -2.7903 LDB: ============= START OF LOAD BALANCING ============== 1435.36 LDB: ============== END OF LOAD BALANCING =============== 1435.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1435.37 LDB: ============= START OF LOAD BALANCING ============== 1435.68 LDB: Largest compute 7076 load 0.036230 is 18.6% of average load 0.194871 LDB: Average compute 0.004406 is 2.3% of average load 0.194871 LDB: TIME 1435.68 LOAD: AVG 0.194871 MAX 0.211355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.215 MB LDB: TIME 1435.68 LOAD: AVG 0.194871 MAX 0.211355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.215 MB LDB: TIME 1435.68 LOAD: AVG 0.194871 MAX 0.211355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.215 MB LDB: ============== END OF LOAD BALANCING =============== 1435.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1435.69 PRESSURE: 452400 -25.7376 14.3094 -67.0904 14.3094 -19.1763 -144.471 -67.0902 -144.469 -8.75401 GPRESSURE: 452400 35.0443 26.5172 -57.2074 -56.3494 -54.1362 -139.31 -134.93 -72.1383 58.9898 PRESSAVG: 452400 -50.5286 -55.0101 29.6876 -55.0102 54.7375 -27.6766 29.6875 -27.6767 24.323 GPRESSAVG: 452400 -49.6272 -50.2345 30.4303 -56.849 53.0062 -25.3611 27.7899 -28.385 25.2915 TIMING: 452400 CPU: 1423.55, 0.00319725/step Wall: 1423.55, 0.00319725/step, 4.03883 hours remaining, 236.269531 MB of memory in use. ENERGY: 452400 4011.4819 20500.0559 14371.3355 259.8323 -203444.5919 2775.8048 0.0000 0.0000 52149.0919 -109376.9896 299.7015 -161526.0815 -109008.9529 300.0150 -17.8893 13.2993 761991.0145 9.5106 9.5568 PRESSURE: 452600 -97.1777 8.16764 61.6082 8.16842 -251.03 71.5175 61.6086 71.5173 -215.577 GPRESSURE: 452600 -87.3758 103.97 -13.5338 26.2785 -174.1 143.341 29.0379 -56.3091 -229.597 PRESSAVG: 452600 -52.5116 -1.35275 -23.2238 -1.3527 46.9993 -14.6002 -23.2238 -14.6003 7.84686 GPRESSAVG: 452600 -52.4101 -0.103164 -23.9636 -1.15446 46.8819 -15.2176 -22.1107 -14.9752 7.52643 TIMING: 452600 CPU: 1424.18, 0.00312951/step Wall: 1424.18, 0.00312951/step, 3.95309 hours remaining, 236.339844 MB of memory in use. ENERGY: 452600 4001.5848 20641.6077 14460.2600 256.3490 -203718.8018 2838.8481 0.0000 0.0000 52102.8207 -109417.3314 299.4356 -161520.1522 -109045.0466 299.6843 -187.9283 -163.6909 761720.7088 0.7782 0.6661 PRESSURE: 452800 75.1271 168.685 37.9508 168.686 427.851 -199.468 37.9507 -199.467 301.546 GPRESSURE: 452800 104.673 8.30946 -0.435666 189 409.467 -136.025 5.63204 -148.999 367.944 PRESSAVG: 452800 -23.9551 -43.8788 -56.453 -43.8788 -12.5453 -33.5091 -56.453 -33.5091 12.4834 GPRESSAVG: 452800 -23.6378 -46.173 -56.7312 -43.8275 -13.2765 -33.2375 -55.7604 -34.2672 13.0536 TIMING: 452800 CPU: 1424.81, 0.0031355/step Wall: 1424.81, 0.00313551/step, 3.96049 hours remaining, 236.339844 MB of memory in use. ENERGY: 452800 4020.2482 20690.7138 14342.5921 237.2024 -203551.5158 2792.7626 0.0000 0.0000 51953.2545 -109514.7423 298.5761 -161467.9968 -109161.5071 299.1952 268.1747 294.0280 761058.5756 -8.0057 -7.9536 PRESSURE: 453000 -108.027 -105.777 -9.05105 -105.778 -169.398 22.8797 -9.05147 22.8802 356.267 GPRESSURE: 453000 -64.0423 -68.4293 -45.0082 -63.3997 -110.072 118.996 -145.916 -138.196 350.665 PRESSAVG: 453000 -36.0972 -11.5316 -33.3399 -11.5315 6.67821 21.3893 -33.3398 21.3892 -5.89209 GPRESSAVG: 453000 -36.7452 -9.18097 -33.8443 -11.6666 6.68797 21.958 -34.1865 21.3264 -5.27649 TIMING: 453000 CPU: 1425.43, 0.00311114/step Wall: 1425.43, 0.00311114/step, 3.92955 hours remaining, 236.339844 MB of memory in use. ENERGY: 453000 4024.8632 20538.6223 14486.7419 239.6587 -203430.1117 2479.1180 0.0000 0.0000 52147.1259 -109513.9817 299.6902 -161661.1075 -109142.0463 299.4964 26.2810 58.8500 760462.4663 -11.7704 -11.7779 PRESSURE: 453200 -33.614 94.2173 -138.338 94.2178 -134.383 -109.019 -138.337 -109.018 137.21 GPRESSURE: 453200 -67.7721 -49.3461 -49.7968 82.1122 -28.469 -105.988 -99.0054 27.6343 155.684 PRESSAVG: 453200 30.2878 5.04639 -39.8285 5.04634 -45.4434 12.9193 -39.8284 12.9193 6.79654 GPRESSAVG: 453200 30.789 1.85471 -39.1774 4.85563 -44.0853 10.7047 -39.6278 14.2066 4.5038 TIMING: 453200 CPU: 1426.05, 0.00313112/step Wall: 1426.05, 0.00313112/step, 3.9546 hours remaining, 236.339844 MB of memory in use. ENERGY: 453200 4053.7208 20577.3449 14436.9354 270.3696 -203385.5954 2739.2398 0.0000 0.0000 51837.7874 -109470.1976 297.9125 -161307.9850 -109118.8222 299.3688 -10.2624 19.8143 761011.6035 -2.7864 -2.9308 PRESSURE: 453400 -119.144 -11.2129 -26.6155 -11.2131 -285.248 129.286 -26.6152 129.286 -207.189 GPRESSURE: 453400 -134.887 -11.6986 24.7125 -106.87 -152.328 48.1089 -9.53388 63.5306 -241.006 PRESSAVG: 453400 13.4432 -50.6286 38.2873 -50.6286 16.3068 47.5836 38.2874 47.5837 6.49636 GPRESSAVG: 453400 11.9261 -51.005 39.0358 -49.5355 16.5838 47.2795 39.022 46.9699 7.13747 TIMING: 453400 CPU: 1426.68, 0.00311063/step Wall: 1426.68, 0.00311063/step, 3.92855 hours remaining, 236.339844 MB of memory in use. ENERGY: 453400 4007.2466 20376.8481 14452.8002 258.9078 -203086.6552 2389.2940 0.0000 0.0000 52347.6144 -109253.9441 300.8425 -161601.5585 -108876.0328 298.8569 -203.8604 -176.0735 761498.9646 12.0821 11.8825 PRESSURE: 453600 -448.704 -46.781 26.9472 -46.781 -314.212 107.059 26.9467 107.058 -432.062 GPRESSURE: 453600 -389.25 -54.8217 17.0172 -81.2326 -270.138 152.324 -70.7771 89.7843 -453.022 PRESSAVG: 453600 -58.3812 -34.2021 14.0258 -34.2021 32.2214 21.0662 14.0258 21.0661 1.12107 GPRESSAVG: 453600 -57.883 -32.7107 13.9994 -35.6904 30.6848 22.0396 12.1579 19.9955 2.3528 TIMING: 453600 CPU: 1427.3, 0.00313254/step Wall: 1427.3, 0.00313254/step, 3.95605 hours remaining, 236.339844 MB of memory in use. ENERGY: 453600 4079.9202 20581.8458 14409.2596 258.6269 -203113.2255 2371.8638 0.0000 0.0000 52044.8496 -109366.8594 299.1025 -161411.7091 -109003.4111 299.7225 -398.3260 -370.8036 763990.7620 -8.3462 -8.2818 PRESSURE: 453800 -199.404 -203.475 92.4684 -203.476 -229.349 83.3875 92.468 83.3876 -282.785 GPRESSURE: 453800 -177.838 -181.116 31.2041 -144.691 -157.511 94.5227 126.934 36.7832 -308.209 PRESSAVG: 453800 -5.23307 -23.6151 -3.26961 -23.6151 -6.68157 2.02354 -3.26961 2.0235 12.5075 GPRESSAVG: 453800 -4.2686 -24.2354 -3.06979 -22.6236 -5.61837 1.5794 -2.0883 3.98879 10.7907 TIMING: 453800 CPU: 1427.93, 0.003127/step Wall: 1427.93, 0.003127/step, 3.94888 hours remaining, 236.339844 MB of memory in use. ENERGY: 453800 4079.2696 20424.1286 14405.1066 255.5696 -203097.2354 2391.9924 0.0000 0.0000 52149.1124 -109392.0562 299.7017 -161541.1686 -109018.4638 299.3287 -237.1792 -214.5192 761692.1641 0.1976 0.3012 PRESSURE: 454000 -78.8155 30.3808 -80.5813 30.3796 -145.154 89.2738 -80.5818 89.2732 80.1703 GPRESSURE: 454000 -69.3483 2.94977 -196.42 -17.935 -154.109 159.603 -76.4918 2.85329 175.211 PRESSAVG: 454000 112.365 0.220187 -16.7375 0.220204 -104.053 10.1129 -16.7376 10.1129 2.97679 GPRESSAVG: 454000 112.602 0.234275 -17.2913 0.915 -105.214 10.0473 -18.1615 9.20884 4.15947 TIMING: 454000 CPU: 1428.55, 0.00312264/step Wall: 1428.55, 0.00312264/step, 3.94321 hours remaining, 236.339844 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: 454000 4041.2139 20683.4512 14411.7974 254.5651 -203379.3580 2469.4701 0.0000 0.0000 52163.1902 -109355.6701 299.7826 -161518.8603 -108992.8185 299.4024 -47.9331 -16.0820 761871.1830 3.7629 3.8490 PRESSURE: 454200 -147.166 136.964 19.2542 136.964 -104.157 -113.278 19.2541 -113.278 -194.505 GPRESSURE: 454200 -60.5964 68.6596 -66.1097 -11.5877 -35.7391 -41.5662 103.762 -4.37868 -254.467 PRESSAVG: 454200 57.0435 31.9995 -35.0988 31.9995 -53.2852 -0.492465 -35.0989 -0.492449 -28.6666 GPRESSAVG: 454200 56.648 31.9966 -34.8258 28.7326 -52.8228 0.681339 -35.565 0.852527 -29.389 TIMING: 454200 CPU: 1429.18, 0.00313377/step Wall: 1429.18, 0.00313377/step, 3.95708 hours remaining, 236.339844 MB of memory in use. ENERGY: 454200 4050.1223 20748.9196 14426.2533 254.1321 -203551.1742 2569.7052 0.0000 0.0000 52127.8029 -109374.2387 299.5792 -161502.0416 -109007.4053 299.6085 -148.6096 -116.9341 761855.2463 -8.3028 -8.5213 PRESSURE: 454400 209.279 230.217 -102.918 230.217 195.783 -238.149 -102.919 -238.149 -45.1452 GPRESSURE: 454400 185.368 257.492 -91.3786 133.869 272.715 -310.787 -119.162 -149.711 -5.21908 PRESSAVG: 454400 11.463 -46.0417 14.0053 -46.0417 -49.4197 -1.26085 14.0054 -1.2609 -9.86044 GPRESSAVG: 454400 11.2445 -46.9769 14.7873 -42.2871 -50.3406 -2.2849 16.0008 -3.23872 -8.36145 TIMING: 454400 CPU: 1429.81, 0.00312991/step Wall: 1429.81, 0.00312991/step, 3.95203 hours remaining, 236.339844 MB of memory in use. ENERGY: 454400 4018.0433 20646.5772 14422.2539 260.1313 -203084.1470 2414.5122 0.0000 0.0000 51968.7305 -109353.8985 298.6650 -161322.6290 -108987.0384 299.7261 119.9722 150.9546 761736.9227 -15.9390 -15.8192 PRESSURE: 454600 50.6566 -124.863 99.5866 -124.864 161.168 51.2871 99.5868 51.287 0.379146 GPRESSURE: 454600 137.402 -30.4128 95.4552 -21.7385 116.037 -51.3562 73.5362 45.0203 34.569 PRESSAVG: 454600 32.0102 6.73253 -4.42852 6.7325 -11.0434 40.3488 -4.42852 40.3489 -15.3421 GPRESSAVG: 454600 32.08 8.68953 -3.96854 6.06109 -10.2122 40.4175 -4.98701 41.8759 -16.0985 TIMING: 454600 CPU: 1430.43, 0.00312191/step Wall: 1430.43, 0.00312191/step, 3.94176 hours remaining, 236.339844 MB of memory in use. ENERGY: 454600 4123.4458 20544.0215 14459.4200 249.0930 -203713.7285 2772.0356 0.0000 0.0000 52119.2355 -109446.4771 299.5300 -161565.7127 -109084.4413 299.4414 70.7345 96.0025 761479.5565 1.8749 1.9231 PRESSURE: 454800 -130.363 -163.187 -89.8343 -163.185 -173.915 115.939 -89.8342 115.939 153.141 GPRESSURE: 454800 -95.5411 -103.547 -98.9357 -178.983 -110.261 113.188 -135.231 28.6391 134.618 PRESSAVG: 454800 33.5072 3.88372 -0.903707 3.88367 -27.0454 -41.3741 -0.903785 -41.3741 -7.26177 GPRESSAVG: 454800 33.6984 3.63975 -4.00583 2.83512 -27.1341 -39.8499 -0.665898 -42.8745 -7.72168 TIMING: 454800 CPU: 1431.05, 0.00312272/step Wall: 1431.05, 0.00312272/step, 3.94261 hours remaining, 236.339844 MB of memory in use. ENERGY: 454800 4037.7704 20478.5124 14406.7034 238.9814 -203445.0470 2683.5619 0.0000 0.0000 52216.5735 -109382.9440 300.0894 -161599.5175 -109009.6930 299.0057 -50.3788 -23.7278 761282.9239 -0.2667 -0.3858 PRESSURE: 455000 239.878 72.6527 84.5842 72.6523 96.4103 215.847 84.584 215.847 -20.0824 GPRESSURE: 455000 269.468 49.339 -45.5923 15.2939 109.267 215.772 89.7756 168.605 19.7987 PRESSAVG: 455000 12.5326 20.3467 -7.9389 20.3466 -41.3169 -47.6029 -7.93889 -47.6029 7.57767 GPRESSAVG: 455000 11.6104 20.0481 -7.77781 19.8576 -39.9606 -47.6729 -6.50304 -48.0925 7.3722 TIMING: 455000 CPU: 1431.68, 0.00313134/step Wall: 1431.68, 0.00313134/step, 3.95332 hours remaining, 236.339844 MB of memory in use. ENERGY: 455000 3975.9020 20735.1018 14421.4191 233.3241 -203159.2146 2738.1974 0.0000 0.0000 52051.9762 -109003.2940 299.1434 -161055.2702 -108633.8157 299.4911 105.4019 132.8443 762727.7279 -7.0689 -6.9927 PRESSURE: 455200 -613.712 -67.8087 -221.655 -67.8085 -413.978 -86.5339 -221.654 -86.5337 -443.997 GPRESSURE: 455200 -440.617 66.0657 -224.311 31.9547 -429.372 -122.07 -140.466 -11.3506 -510.665 PRESSAVG: 455200 35.8598 15.2271 -60.8222 15.2271 -4.66355 2.13635 -60.8223 2.13633 18.3705 GPRESSAVG: 455200 36.2579 15.6024 -59.523 16.0821 -6.19652 0.557317 -62.1264 4.30653 19.0772 TIMING: 455200 CPU: 1432.3, 0.00311109/step Wall: 1432.3, 0.00311109/step, 3.92758 hours remaining, 236.339844 MB of memory in use. ENERGY: 455200 4038.9212 20606.3578 14493.4568 250.9282 -203037.3847 2188.0235 0.0000 0.0000 52191.1541 -109268.5431 299.9433 -161459.6972 -108904.0012 299.5379 -490.5623 -460.2181 762101.3870 16.5222 16.3795 PRESSURE: 455400 -108.444 -12.3401 143.201 -12.3404 -340.536 129.102 143.201 129.102 -170.182 GPRESSURE: 455400 -102.346 19.6616 34.6432 -59.3836 -285.222 142.647 16.1228 163.956 -143.248 PRESSAVG: 455400 -12.5173 13.1409 -13.7698 13.1409 -5.61415 4.77817 -13.7697 4.77817 -1.20246 GPRESSAVG: 455400 -12.4466 12.7692 -14.3518 12.1135 -4.73801 5.97226 -14.1424 3.30487 -1.70223 TIMING: 455400 CPU: 1432.93, 0.00314666/step Wall: 1432.93, 0.00314666/step, 3.97231 hours remaining, 236.339844 MB of memory in use. ENERGY: 455400 4003.3864 20503.4364 14386.7972 210.7422 -202975.0958 2596.5590 0.0000 0.0000 52081.7647 -109192.4098 299.3146 -161274.1745 -108832.2920 299.8625 -206.3876 -176.9389 763529.6627 -6.4446 -6.2956 PRESSURE: 455600 303.285 26.4081 -227.313 26.4085 -180.976 127.911 -227.314 127.911 463.194 GPRESSURE: 455600 332.502 -22.1037 -269.549 32.3216 -110.065 73.6956 -24.8375 117.722 446.793 PRESSAVG: 455600 8.97484 7.98156 -7.15957 7.98153 -28.8802 8.8891 -7.15959 8.88916 -8.12013 GPRESSAVG: 455600 7.85382 4.30481 -8.71911 10.4938 -28.8018 8.17424 -3.34381 8.15397 -6.77457 TIMING: 455600 CPU: 1433.56, 0.00312718/step Wall: 1433.56, 0.00312718/step, 3.94755 hours remaining, 236.339844 MB of memory in use. ENERGY: 455600 3831.4391 20480.0321 14586.3012 239.5835 -203836.6225 3155.9526 0.0000 0.0000 52093.0298 -109450.2840 299.3794 -161543.3139 -109076.2798 299.7481 195.1677 223.0768 761523.2497 -9.3418 -9.2408 PRESSURE: 455800 -340.445 -46.5819 -49.8606 -46.5809 -282.714 -78.6044 -49.8601 -78.6039 132.609 GPRESSURE: 455800 -304.05 34.6465 -19.1007 -53.7188 -224.462 -141.106 -81.364 27.177 136.366 PRESSAVG: 455800 -38.2119 -1.95766 -5.16265 -1.95767 0.190969 -19.5439 -5.16268 -19.5439 -3.04178 GPRESSAVG: 455800 -38.0849 1.25596 -0.608563 -3.05204 0.290306 -19.5191 -7.79774 -19.1133 -3.81077 TIMING: 455800 CPU: 1434.18, 0.00313259/step Wall: 1434.18, 0.00313259/step, 3.9542 hours remaining, 236.339844 MB of memory in use. ENERGY: 455800 3979.0483 20517.7305 14501.0599 268.1649 -202906.2081 2293.6143 0.0000 0.0000 51961.9564 -109384.6338 298.6261 -161346.5902 -109022.2384 299.8459 -163.5163 -130.7151 760944.0694 -13.6876 -13.8685 PRESSURE: 456000 153.804 287.136 -85.7907 287.136 102.889 -469.077 -85.7911 -469.076 -27.366 GPRESSURE: 456000 173.889 232.949 -118.033 223.765 177.839 -367.21 -15.8953 -431.303 -43.0667 PRESSAVG: 456000 -40.9165 52.9865 0.392154 52.9866 41.859 -16.2985 0.3922 -16.2985 53.1536 GPRESSAVG: 456000 -41.8796 51.5153 -1.9482 53.0011 42.8031 -15.106 -0.0800111 -14.8408 53.5539 TIMING: 456000 CPU: 1434.81, 0.00312649/step Wall: 1434.81, 0.00312649/step, 3.94633 hours remaining, 236.339844 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: 456000 4037.0492 20587.0530 14499.3685 248.0945 -203829.4755 3061.5287 0.0000 0.0000 52106.0783 -109290.3033 299.4543 -161396.3816 -108934.6604 299.5310 76.4423 102.8872 761072.5359 18.0320 18.1591 PRESSURE: 456200 -145.388 -153.768 167.424 -153.769 14.0857 42.9361 167.424 42.9365 -161.219 GPRESSURE: 456200 -159.61 -188.083 174.01 -100.238 50.1752 21.6577 191.252 -60.2701 -109.111 PRESSAVG: 456200 -3.45526 37.7411 23.9292 37.7411 11.2578 -38.4276 23.9292 -38.4275 2.18512 GPRESSAVG: 456200 -2.62513 40.0191 24.8097 37.6995 11.1509 -38.2714 22.2938 -38.9497 1.23301 TIMING: 456200 CPU: 1435.44, 0.00312985/step Wall: 1435.44, 0.00312985/step, 3.9504 hours remaining, 236.339844 MB of memory in use. ENERGY: 456200 3994.4003 20472.2323 14485.7077 245.8007 -203476.8099 2747.4871 0.0000 0.0000 52109.0905 -109422.0912 299.4717 -161531.1817 -109060.3641 299.3750 -97.5073 -72.8486 761698.4222 3.3292 3.2529 LDB: ============= START OF LOAD BALANCING ============== 1447.89 LDB: ============== END OF LOAD BALANCING =============== 1447.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1447.89 LDB: ============= START OF LOAD BALANCING ============== 1448.21 LDB: Largest compute 7029 load 0.036973 is 19.0% of average load 0.194960 LDB: Average compute 0.004398 is 2.3% of average load 0.194960 LDB: TIME 1448.21 LOAD: AVG 0.19496 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.27 MB LDB: TIME 1448.21 LOAD: AVG 0.19496 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: TIME 1448.21 LOAD: AVG 0.19496 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: ============== END OF LOAD BALANCING =============== 1448.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1448.22 PRESSURE: 456400 -106.585 -47.6408 -4.98726 -47.642 -417.497 -252.428 -4.98681 -252.429 -168.616 GPRESSURE: 456400 -86.694 -79.4206 -77.4735 -11.3751 -383.074 -251.059 -72.4032 -359.087 -147.23 PRESSAVG: 456400 -17.4498 2.23145 20.4227 2.2314 20.8984 5.00284 20.4228 5.00286 5.06439 GPRESSAVG: 456400 -17.1357 1.81409 20.4875 1.86421 19.9943 3.86109 19.8328 4.62274 5.39088 TIMING: 456400 CPU: 1436.08, 0.00322718/step Wall: 1436.08, 0.00322718/step, 4.07306 hours remaining, 235.558594 MB of memory in use. ENERGY: 456400 3959.4808 20535.8569 14434.7596 244.0177 -203038.0719 2388.7017 0.0000 0.0000 51886.3938 -109588.8615 298.1918 -161475.2553 -109225.4775 299.3143 -230.8990 -205.6660 761590.7103 2.8376 2.7498 PRESSURE: 456600 -116.259 72.4076 199.376 72.4089 28.4504 226.635 199.377 226.635 -235.297 GPRESSURE: 456600 -18.6688 -43.6759 206.592 72.367 -65.6821 216.79 244.565 135.365 -162.015 PRESSAVG: 456600 -0.245998 -6.91278 16.367 -6.9127 -7.94511 13.6254 16.367 13.6253 3.70533 GPRESSAVG: 456600 -0.328973 -8.87317 15.8403 -5.96551 -7.587 13.1755 15.9851 14.7576 3.29502 TIMING: 456600 CPU: 1436.71, 0.00314324/step Wall: 1436.71, 0.00314324/step, 3.96695 hours remaining, 235.761719 MB of memory in use. ENERGY: 456600 3970.4786 20362.5406 14412.6446 254.9319 -202746.7585 2456.6550 0.0000 0.0000 51753.5848 -109535.9229 297.4286 -161289.5077 -109177.3407 298.3821 -107.7019 -82.1220 762405.7604 -1.4953 -1.5403 PRESSURE: 456800 -207.916 -172.81 -95.7848 -172.81 -7.05219 62.7404 -95.7853 62.7411 50.4517 GPRESSURE: 456800 -141.391 -141.983 -43.3206 -194.937 39.8445 61.5724 71.6025 -11.0598 31.6988 PRESSAVG: 456800 -26.6641 -34.8136 -1.66275 -34.8135 2.23306 40.4806 -1.6627 40.4807 37.1315 GPRESSAVG: 456800 -26.5901 -32.5542 -2.15388 -36.5112 3.10316 39.8277 -0.190606 41.0775 36.6605 TIMING: 456800 CPU: 1437.34, 0.00313507/step Wall: 1437.34, 0.00313507/step, 3.95646 hours remaining, 235.761719 MB of memory in use. ENERGY: 456800 3988.8312 20653.4709 14419.3670 233.8104 -203545.7426 2856.5089 0.0000 0.0000 52005.4358 -109388.3183 298.8760 -161393.7541 -109038.8174 298.5535 -54.8389 -23.2827 762785.5247 4.2335 4.3912 PRESSURE: 457000 -150.689 -166.224 -59.5647 -166.225 -199.445 -192.021 -59.5642 -192.022 419.496 GPRESSURE: 457000 -123.659 -191.958 -91.0519 -73.3294 -198.138 -173.561 -7.33096 -260.006 469.269 PRESSAVG: 457000 48.9039 -11.9176 5.63712 -11.9177 -21.8032 -0.438331 5.6371 -0.438209 -8.02989 GPRESSAVG: 457000 47.7541 -12.7954 6.07453 -11.6735 -22.1876 -0.178523 6.59571 -0.0599407 -6.61152 TIMING: 457000 CPU: 1437.97, 0.00316276/step Wall: 1437.97, 0.00316276/step, 3.99123 hours remaining, 235.761719 MB of memory in use. ENERGY: 457000 3987.1570 20639.3707 14451.6115 246.7818 -203455.3143 2643.7845 0.0000 0.0000 52226.9634 -109259.6454 300.1491 -161486.6088 -108898.6985 299.6216 23.1207 49.1572 763215.4171 6.3569 6.3184 PRESSURE: 457200 86.7257 201.43 154.548 201.43 -330.137 10.6242 154.547 10.6238 12.4655 GPRESSURE: 457200 101.275 140.657 124.568 195.132 -320.237 -2.32128 74.0244 8.08782 72.5782 PRESSAVG: 457200 -8.19963 -13.7597 27.8173 -13.7598 55.3152 -11.1671 27.8174 -11.1671 1.37255 GPRESSAVG: 457200 -7.66088 -15.9873 27.3397 -12.2218 54.2694 -8.9789 27.2795 -12.3373 1.91871 TIMING: 457200 CPU: 1438.6, 0.00315242/step Wall: 1438.6, 0.00315242/step, 3.978 hours remaining, 235.761719 MB of memory in use. ENERGY: 457200 3890.3942 20722.8017 14444.7733 252.9778 -203043.5250 2438.1577 0.0000 0.0000 51926.4281 -109367.9923 298.4219 -161294.4204 -109016.6906 298.9998 -76.9820 -48.7944 762185.5113 16.1627 16.1757 PRESSURE: 457400 -328.122 51.6735 35.5823 51.6745 13.6687 254.55 35.5817 254.549 300.85 GPRESSURE: 457400 -318.337 82.116 66.5814 32.0773 80.4744 264.359 -28.5316 245.358 312.258 PRESSAVG: 457400 8.29118 52.9766 -17.7694 52.9766 -17.8448 -36.1647 -17.7695 -36.1647 -1.8302 GPRESSAVG: 457400 7.26945 53.8576 -17.435 53.0744 -16.7759 -37.8057 -17.7066 -35.8576 -2.27754 TIMING: 457400 CPU: 1439.23, 0.00312823/step Wall: 1439.23, 0.00312823/step, 3.9473 hours remaining, 235.761719 MB of memory in use. ENERGY: 457400 3979.4951 20485.0942 14550.5299 254.6457 -203561.1445 2905.0689 0.0000 0.0000 52140.6654 -109245.6452 299.6531 -161386.3107 -108891.3487 299.0770 -4.5345 24.7986 763179.7299 -3.7946 -3.9280 PRESSURE: 457600 150.209 69.0048 -30.9305 69.0057 -78.7532 38.1256 -30.9307 38.1251 -66.8695 GPRESSURE: 457600 126.887 -51.385 -76.0592 81.855 2.70927 -3.51571 88.98 87.0182 -59.353 PRESSAVG: 457600 19.7642 20.1423 -24.0257 20.1423 -19.3926 -29.7932 -24.0257 -29.7932 -0.661876 GPRESSAVG: 457600 20.0254 19.465 -23.6429 20.4788 -20.4408 -29.9232 -25.1173 -28.2488 -0.373746 TIMING: 457600 CPU: 1439.85, 0.00312403/step Wall: 1439.85, 0.00312403/step, 3.94183 hours remaining, 235.761719 MB of memory in use. ENERGY: 457600 3997.1368 20564.0668 14402.1263 229.0888 -203631.9744 2777.2981 0.0000 0.0000 52026.5364 -109635.7212 298.9972 -161662.2576 -109278.0027 298.6151 1.5289 23.4144 762803.6594 -0.0967 -0.2630 PRESSURE: 457800 -333.56 33.9313 -18.4479 33.9315 -448.15 -127.301 -18.4489 -127.301 -430.383 GPRESSURE: 457800 -317.455 15.6802 -77.8944 -24.3165 -378.33 -59.4287 -106.884 12.2374 -419.869 PRESSAVG: 457800 -9.10971 0.29451 -16.1925 0.294562 -19.8061 -1.49011 -16.1925 -1.49013 21.6783 GPRESSAVG: 457800 -7.92254 0.456122 -16.94 1.53605 -20.2017 -0.333616 -16.5056 -4.65445 20.8948 TIMING: 457800 CPU: 1440.47, 0.00311868/step Wall: 1440.47, 0.00311868/step, 3.9349 hours remaining, 235.761719 MB of memory in use. ENERGY: 457800 3970.5426 20352.9668 14434.4191 248.7554 -203211.5577 2567.3205 0.0000 0.0000 51972.2122 -109665.3411 298.6850 -161637.5533 -109300.0252 298.7848 -404.0311 -371.8845 763676.4313 -2.4125 -2.4098 PRESSURE: 458000 -230.326 -141.472 -8.93605 -141.472 -206.593 58.6823 -8.93571 58.6831 36.1757 GPRESSURE: 458000 -161.388 -142.854 45.7118 5.46716 -162.502 0.0218984 -49.7243 115.062 9.91798 PRESSAVG: 458000 3.08678 29.6235 7.45116 29.6235 -34.144 12.2207 7.45114 12.2207 -7.10699 GPRESSAVG: 458000 2.47142 30.6754 7.90729 28.0112 -33.2364 9.7274 8.36182 16.129 -7.35002 TIMING: 458000 CPU: 1441.1, 0.00312424/step Wall: 1441.1, 0.00312424/step, 3.94175 hours remaining, 235.761719 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: 458000 3992.5775 20449.6301 14386.0160 246.8686 -203316.4918 2618.8055 0.0000 0.0000 51977.2697 -109645.3245 298.7141 -161622.5942 -109290.3576 298.2090 -133.5812 -104.6572 762938.3327 -12.7214 -12.7050 PRESSURE: 458200 -158.276 -120.306 -107.539 -120.306 131.141 -298.526 -107.539 -298.524 445.709 GPRESSURE: 458200 -163.303 -116.598 -96.7246 -145.576 158.087 -217.288 -110.356 -253.576 507.453 PRESSAVG: 458200 38.628 3.95035 3.07724 3.95034 -0.975514 11.3696 3.0772 11.3696 22.7416 GPRESSAVG: 458200 39.5335 2.45491 2.97965 2.56638 -2.57249 12.9734 1.88555 8.85883 23.1195 TIMING: 458200 CPU: 1441.72, 0.00312317/step Wall: 1441.72, 0.00312317/step, 3.94022 hours remaining, 235.761719 MB of memory in use. ENERGY: 458200 3969.3956 20596.7098 14458.3837 243.1313 -203613.9663 2904.9092 0.0000 0.0000 51780.7956 -109660.6411 297.5849 -161441.4367 -109293.2003 298.4297 139.5248 167.4124 763072.2001 20.1314 20.0268 PRESSURE: 458400 -85.9502 115.425 -212.142 115.424 -232.114 -127.716 -212.142 -127.715 141.15 GPRESSURE: 458400 -50.0007 -38.784 -153.415 111.47 -169.341 -44.0878 -213.603 -212.109 89.6909 PRESSAVG: 458400 66.8669 -40.8972 5.20556 -40.8972 -35.3303 21.2277 5.20557 21.2279 0.564391 GPRESSAVG: 458400 65.808 -40.0862 5.09542 -40.0884 -34.1495 21.5002 7.44926 20.5202 -0.00117423 TIMING: 458400 CPU: 1442.35, 0.00310709/step Wall: 1442.35, 0.00310709/step, 3.91977 hours remaining, 235.761719 MB of memory in use. ENERGY: 458400 3936.7918 20564.3502 14493.5440 272.7626 -203194.2335 2569.6793 0.0000 0.0000 51643.3920 -109713.7136 296.7953 -161357.1055 -109358.2303 298.1139 -58.9715 -43.2169 762468.8104 10.7003 10.5524 PRESSURE: 458600 -97.829 -116.575 -11.9382 -116.575 -145.124 64.0001 -11.9381 63.9991 195.849 GPRESSURE: 458600 -48.8811 -114.236 49.5409 16.3049 -177.802 30.3741 -56.7391 64.046 252.965 PRESSAVG: 458600 19.2232 -15.4429 4.8389 -15.4429 -7.37256 0.0958597 4.8389 0.0958288 -0.416961 GPRESSAVG: 458600 19.5194 -14.7594 4.84401 -15.6028 -8.7213 -0.74351 3.2857 2.51608 0.842586 TIMING: 458600 CPU: 1442.97, 0.00311348/step Wall: 1442.97, 0.00311348/step, 3.92765 hours remaining, 235.761719 MB of memory in use. ENERGY: 458600 4021.3528 20463.8011 14508.6008 263.5477 -203497.7265 2694.9189 0.0000 0.0000 51860.8000 -109684.7051 298.0447 -161545.5051 -109329.0695 298.3962 -15.7012 8.7606 762499.8567 3.8112 3.8802 PRESSURE: 458800 -112.276 7.17897 -56.0989 7.17819 -339.019 -2.8678 -56.0978 -2.86743 -163.049 GPRESSURE: 458800 -46.6699 33.1265 -82.1039 -57.804 -382.96 13.1373 119.908 20.8951 -105.599 PRESSAVG: 458800 53.0546 -3.27871 -19.4287 -3.2787 -66.0013 -42.7733 -19.4287 -42.7733 3.52719 GPRESSAVG: 458800 52.8571 -3.71329 -20.1304 -2.49561 -64.4418 -40.7349 -16.9983 -44.183 2.24564 TIMING: 458800 CPU: 1443.59, 0.00312126/step Wall: 1443.59, 0.00312126/step, 3.9373 hours remaining, 235.761719 MB of memory in use. ENERGY: 458800 4015.8450 20412.9890 14537.4725 256.4784 -203147.9859 2604.3420 0.0000 0.0000 51673.5864 -109647.2727 296.9688 -161320.8590 -109278.4177 298.6890 -204.7813 -178.4096 764068.3736 -3.1398 -3.1130 PRESSURE: 459000 343.898 326.913 -280.028 326.913 205.641 112.608 -280.028 112.608 -41.8825 GPRESSURE: 459000 352.75 128.421 -255.764 336.104 183.835 -7.57938 -267.457 170.736 43.5964 PRESSAVG: 459000 20.4893 16.7057 -53.9261 16.7057 -36.0358 46.342 -53.9261 46.3419 13.9321 GPRESSAVG: 459000 19.3586 16.1775 -51.8924 14.835 -35.7398 44.5705 -54.438 46.0596 14.0402 TIMING: 459000 CPU: 1444.21, 0.00309785/step Wall: 1444.21, 0.00309785/step, 3.90759 hours remaining, 235.761719 MB of memory in use. ENERGY: 459000 3925.7788 20407.0587 14447.5518 227.5411 -203562.3668 2979.4911 0.0000 0.0000 52200.5872 -109374.3580 299.9975 -161574.9453 -109006.0149 298.6327 169.2188 193.3938 763989.9177 -0.5381 -0.7803 PRESSURE: 459200 22.574 -43.8304 219.516 -43.8298 346.719 -141.515 219.515 -141.516 -215.169 GPRESSURE: 459200 163.722 -111.482 258.067 50.2272 309.016 -129.795 82.0635 -59.2393 -212.141 PRESSAVG: 459200 38.029 18.0885 6.9329 18.0885 0.159962 6.79018 6.9329 6.79021 22.2452 GPRESSAVG: 459200 38.6505 16.3177 7.39731 20.8694 -0.417998 7.60289 4.63594 4.88165 22.3468 TIMING: 459200 CPU: 1444.84, 0.0031286/step Wall: 1444.84, 0.0031286/step, 3.94621 hours remaining, 235.761719 MB of memory in use. ENERGY: 459200 3965.2502 20433.7274 14398.1987 250.0468 -203368.0643 2807.1975 0.0000 0.0000 52034.6871 -109478.9565 299.0441 -161513.6436 -109110.6889 298.9949 51.3748 86.8655 762087.7661 20.1447 20.1931 PRESSURE: 459400 -459.501 194.835 13.4379 194.835 -50.9636 45.6696 13.4382 45.6704 -147.431 GPRESSURE: 459400 -316.922 288.644 19.6055 141.779 -51.1334 88.5105 5.13644 165.71 -188.666 PRESSAVG: 459400 -34.4706 11.1438 21.5957 11.1438 24.244 31.7398 21.5957 31.7398 -5.21857 GPRESSAVG: 459400 -33.5533 12.9282 21.5346 9.75661 23.6856 30.9798 23.1733 35.3042 -5.61111 TIMING: 459400 CPU: 1445.46, 0.00311058/step Wall: 1445.46, 0.00311058/step, 3.92331 hours remaining, 235.761719 MB of memory in use. ENERGY: 459400 4009.4038 20491.1449 14372.6266 259.4915 -202706.8556 2546.7474 0.0000 0.0000 51609.6510 -109417.7905 296.6014 -161027.4415 -109062.7407 298.6803 -219.2983 -185.5736 764288.9941 -5.1484 -5.1596 PRESSURE: 459600 -266.337 -124.365 -127.916 -124.365 -442.484 66.2946 -127.915 66.2956 -354.594 GPRESSURE: 459600 -209.91 -175.041 -69.7511 -205.914 -446.176 -21.1418 -121.97 9.00237 -309.065 PRESSAVG: 459600 -42.6807 0.630963 -13.2589 0.631029 47.6558 -9.48175 -13.2589 -9.48168 -12.1592 GPRESSAVG: 459600 -42.5597 1.90258 -13.2303 0.931906 46.9655 -9.54576 -13.9764 -9.60565 -11.5495 TIMING: 459600 CPU: 1446.09, 0.00314007/step Wall: 1446.09, 0.00314007/step, 3.96033 hours remaining, 235.761719 MB of memory in use. ENERGY: 459600 4043.1111 20260.2064 14521.8532 241.6164 -203122.7024 2491.8464 0.0000 0.0000 51879.9565 -109684.1125 298.1548 -161564.0690 -109328.0024 298.3751 -354.4717 -321.7170 762835.8588 -2.3947 -2.3812 PRESSURE: 459800 181.257 81.796 129.235 81.7964 219.581 109.213 129.234 109.212 -277.261 GPRESSURE: 459800 159.625 272.577 147.008 131.67 271.752 111.946 215.754 -10.636 -221.192 PRESSAVG: 459800 34.402 -22.6581 -4.54607 -22.6581 -31.026 54.2786 -4.54608 54.2786 0.25925 GPRESSAVG: 459800 34.2091 -22.6566 -4.45598 -23.137 -30.9938 54.3197 -4.97083 54.0532 0.0721706 TIMING: 459800 CPU: 1446.71, 0.00313224/step Wall: 1446.71, 0.00313224/step, 3.95028 hours remaining, 235.761719 MB of memory in use. ENERGY: 459800 3961.9906 20512.5882 14513.9833 249.1906 -203183.7530 2683.1927 0.0000 0.0000 51628.8231 -109633.9846 296.7116 -161262.8077 -109281.3579 298.3925 41.1926 70.0617 762644.2937 1.2118 1.0958 PRESSURE: 460000 -283.865 -18.1061 97.0044 -18.1058 -44.6242 -34.645 97.0046 -34.6446 -138.12 GPRESSURE: 460000 -235.701 -57.1971 44.4409 -82.5648 -28.5145 1.35521 147.174 -111.493 -108.169 PRESSAVG: 460000 62.0989 57.4144 38.5043 57.4143 -46.3474 78.2846 38.5044 78.2846 -6.41696 GPRESSAVG: 460000 61.2788 55.3439 38.8283 55.239 -45.5389 78.1232 38.6619 78.169 -6.17918 TIMING: 460000 CPU: 1447.34, 0.00313876/step Wall: 1447.34, 0.00313876/step, 3.95833 hours remaining, 235.761719 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: 460000 4030.8594 20262.6813 14498.4149 261.5552 -203544.2869 2791.2142 0.0000 0.0000 52334.7704 -109364.7914 300.7686 -161699.5619 -109007.0942 298.7372 -155.5362 -124.1284 762671.8368 3.1115 3.1869 PRESSURE: 460200 -393.952 90.2695 73.004 90.2695 -169.575 -130.071 73.0044 -130.071 -119.297 GPRESSURE: 460200 -313.672 -82.9353 74.0012 142.582 -136.429 -189.861 255.703 -167.478 -168.169 PRESSAVG: 460200 2.94247 -8.04708 2.67755 -8.04707 -10.7608 22.4851 2.67748 22.485 -1.83022 GPRESSAVG: 460200 1.89302 -8.03867 1.76058 -5.95017 -9.98008 23.4882 4.64027 20.2359 -1.55199 TIMING: 460200 CPU: 1447.97, 0.00313688/step Wall: 1447.97, 0.00313688/step, 3.95577 hours remaining, 235.761719 MB of memory in use. ENERGY: 460200 3969.1509 20569.1156 14459.7937 239.8387 -203291.1095 2631.7630 0.0000 0.0000 52136.8416 -109284.6059 299.6311 -161421.4476 -108918.9558 299.2261 -227.6079 -206.0900 763631.6388 -3.2162 -3.2130 LDB: ============= START OF LOAD BALANCING ============== 1460.42 LDB: ============== END OF LOAD BALANCING =============== 1460.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1460.42 LDB: ============= START OF LOAD BALANCING ============== 1460.74 LDB: Largest compute 7026 load 0.035608 is 18.3% of average load 0.194858 LDB: Average compute 0.004424 is 2.3% of average load 0.194858 LDB: TIME 1460.74 LOAD: AVG 0.194858 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.34 MB LDB: TIME 1460.74 LOAD: AVG 0.194858 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: TIME 1460.74 LOAD: AVG 0.194858 MAX 0.213752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.34 MB LDB: ============== END OF LOAD BALANCING =============== 1460.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1460.75 PRESSURE: 460400 -98.7508 -12.1572 94.8255 -12.157 -359.646 24.9466 94.8266 24.9463 77.8736 GPRESSURE: 460400 -151.602 -42.4757 130.743 39.4573 -272.953 129.748 88.8059 -36.9345 118.054 PRESSAVG: 460400 -22.9124 6.56105 13.7656 6.56104 35.0323 -6.54853 13.7656 -6.54854 4.33721 GPRESSAVG: 460400 -22.1722 7.51495 13.5537 6.84939 34.5206 -7.27164 12.1189 -4.26132 4.08907 TIMING: 460400 CPU: 1448.61, 0.00320786/step Wall: 1448.61, 0.00320786/step, 4.04511 hours remaining, 235.765625 MB of memory in use. ENERGY: 460400 4004.2873 20533.4969 14473.9228 240.4723 -203483.5779 2725.5826 0.0000 0.0000 52104.4196 -109401.3965 299.4448 -161505.8161 -109039.9620 299.1159 -126.8411 -102.1669 763634.5774 5.4857 5.4792 PRESSURE: 460600 47.829 132.258 43.0264 132.259 -54.5045 -28.2012 43.0269 -28.2017 -148.532 GPRESSURE: 460600 1.96041 89.7343 66.0806 105.104 10.5123 -54.6715 78.0392 -79.547 -68.2784 PRESSAVG: 460600 73.4634 -21.3115 24.3478 -21.3114 -79.4831 43.0812 24.3478 43.0812 -4.88548 GPRESSAVG: 460600 71.9431 -21.9825 26.2993 -19.665 -80.2994 42.7825 23.7779 42.9111 -3.08258 TIMING: 460600 CPU: 1449.24, 0.00313855/step Wall: 1449.24, 0.00313855/step, 3.95754 hours remaining, 235.968750 MB of memory in use. ENERGY: 460600 3984.3023 20491.3105 14459.5847 243.6440 -203419.9961 2959.7158 0.0000 0.0000 51966.6304 -109314.8083 298.6529 -161281.4388 -108962.8340 298.7970 -51.7358 -18.6019 763045.0477 -3.6351 -3.8130 PRESSURE: 460800 209.07 57.7611 183.82 57.7606 -70.2206 -31.6571 183.819 -31.6574 -344.571 GPRESSURE: 460800 224.055 109.898 145.084 42.7598 -44.9093 -22.5575 204.917 29.1744 -285.98 PRESSAVG: 460800 77.0774 16.2035 24.446 16.2036 -43.2581 12.9152 24.446 12.9151 11.4983 GPRESSAVG: 460800 77.6243 17.2548 24.9933 13.3318 -42.2733 13.0434 25.3282 14.8426 9.80439 TIMING: 460800 CPU: 1449.87, 0.00315069/step Wall: 1449.87, 0.00315069/step, 3.97267 hours remaining, 235.968750 MB of memory in use. ENERGY: 460800 3926.9174 20627.5541 14518.5026 245.3109 -203251.8664 2471.9595 0.0000 0.0000 52232.1624 -109229.4594 300.1790 -161461.6218 -108869.6235 299.6313 -68.5738 -35.6115 763065.6619 15.1059 15.0518 PRESSURE: 461000 -154.83 20.3586 -129.536 20.359 -94.9602 -20.4475 -129.537 -20.4485 -270.607 GPRESSURE: 461000 -166.113 -24.9724 -90.3373 26.6154 21.4379 -44.1608 -200.511 -146.66 -281.494 PRESSAVG: 461000 5.65524 2.22675 -40.7824 2.22673 -3.99252 5.11482 -40.7825 5.11484 10.9789 GPRESSAVG: 461000 6.21975 1.80239 -42.8481 4.80879 -4.58598 4.78314 -42.1909 2.90677 11.5645 TIMING: 461000 CPU: 1450.49, 0.00313214/step Wall: 1450.49, 0.00313214/step, 3.94911 hours remaining, 235.968750 MB of memory in use. ENERGY: 461000 4031.7741 20508.3008 14494.3604 252.4874 -203009.8267 2538.2880 0.0000 0.0000 52128.3154 -109056.3006 299.5821 -161184.6161 -108688.9533 299.6296 -173.4659 -142.0563 762726.6684 4.2139 4.3994 PRESSURE: 461200 48.5611 -22.4179 -70.2913 -22.4179 10.6442 80.2975 -70.2914 80.2967 80.9307 GPRESSURE: 461200 38.8795 -87.6788 0.424473 58.4184 -9.72935 110.053 -31.5719 192.521 210.376 PRESSAVG: 461200 -27.2627 -90.5303 -21.6316 -90.5304 10.3972 44.5628 -21.6316 44.5628 9.9295 GPRESSAVG: 461200 -25.8168 -92.134 -21.1959 -89.9408 9.37341 43.8847 -19.8759 43.9243 9.86475 TIMING: 461200 CPU: 1451.13, 0.00316324/step Wall: 1451.13, 0.00316324/step, 3.98814 hours remaining, 235.968750 MB of memory in use. ENERGY: 461200 3969.0182 20593.1619 14506.4385 250.7614 -203353.8147 2802.7046 0.0000 0.0000 52254.0845 -108977.6456 300.3049 -161231.7301 -108612.3587 300.1377 46.7120 79.8420 763546.7299 -2.3120 -2.1929 PRESSURE: 461400 27.8498 -26.2069 -155.414 -26.2071 -58.2435 -129.75 -155.414 -129.749 -93.5934 GPRESSURE: 461400 136.12 -45.3961 -145.154 -2.93268 -61.3314 -52.8039 -25.6552 -74.8129 -90.4658 PRESSAVG: 461400 3.23548 -6.68232 30.7228 -6.68228 14.7743 9.82385 30.7227 9.82379 15.9831 GPRESSAVG: 461400 2.15927 -6.54631 30.6381 -7.30503 16.0084 10.8448 29.3972 11.9795 15.8219 TIMING: 461400 CPU: 1451.76, 0.00316993/step Wall: 1451.76, 0.00316993/step, 3.99641 hours remaining, 235.968750 MB of memory in use. ENERGY: 461400 3938.7600 20538.7399 14561.4150 253.2546 -203218.9485 2748.3530 0.0000 0.0000 52038.7653 -109139.6607 299.0675 -161178.4261 -108770.8964 300.0047 -41.3290 -5.2257 763433.3199 11.3309 11.3298 PRESSURE: 461600 -203.464 44.273 26.6036 44.2732 -47.0432 -130.639 26.6047 -130.64 62.549 GPRESSURE: 461600 -219.464 -33.8294 -29.6862 65.8404 63.1471 -139.452 -30.4172 -158.14 68.0235 PRESSAVG: 461600 50.6119 25.5616 15.4254 25.5617 -28.2505 0.319587 15.4254 0.319594 -0.458991 GPRESSAVG: 461600 50.5655 24.2993 17.0235 24.7116 -28.9093 -2.00325 17.2502 0.715757 -0.0304134 TIMING: 461600 CPU: 1452.39, 0.003138/step Wall: 1452.39, 0.003138/step, 3.95597 hours remaining, 235.968750 MB of memory in use. ENERGY: 461600 3983.6352 20444.3362 14451.3576 255.3607 -203611.6445 2926.0095 0.0000 0.0000 52222.8958 -109328.0496 300.1257 -161550.9454 -108965.1779 299.6903 -62.6527 -29.4310 761816.0754 7.3008 7.2086 PRESSURE: 461800 113.166 6.41034 47.1801 6.41099 392.85 6.4713 47.18 6.46965 -146.336 GPRESSURE: 461800 203.001 -46.8749 -75.666 51.165 345.604 -54.5906 49.0034 46.3556 -90.6516 PRESSAVG: 461800 -9.84151 -35.0471 12.8598 -35.047 43.7763 17.8806 12.8598 17.8806 0.95742 GPRESSAVG: 461800 -9.44472 -32.4567 12.9655 -37.1331 44.0248 18.7004 11.9592 18.0353 0.721077 TIMING: 461800 CPU: 1453.02, 0.00316123/step Wall: 1453.02, 0.00316123/step, 3.98508 hours remaining, 235.968750 MB of memory in use. ENERGY: 461800 3859.0014 20523.3876 14485.9756 243.2258 -203111.4671 2549.5528 0.0000 0.0000 52107.6546 -109342.6693 299.4634 -161450.3239 -108985.8784 299.1422 119.8933 152.6510 761396.4265 11.6307 11.7670 PRESSURE: 462000 -287.667 16.5144 32.2867 16.5143 -279.895 146.998 32.2863 146.997 -183.636 GPRESSURE: 462000 -203.298 -23.8794 -94.1421 -48.4719 -259.424 163.202 144.09 101.733 -200.03 PRESSAVG: 462000 -8.19605 -0.8243 -31.7723 -0.824318 0.606561 10.5889 -31.7722 10.5889 -13.4271 GPRESSAVG: 462000 -7.69844 -1.35733 -33.8768 1.26764 0.379999 11.839 -31.8263 10.4057 -13.6673 TIMING: 462000 CPU: 1453.65, 0.003149/step Wall: 1453.65, 0.003149/step, 3.96949 hours remaining, 235.968750 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: 462000 3937.0830 20342.4473 14428.5184 238.1364 -202694.6225 2371.9606 0.0000 0.0000 52017.6700 -109358.8067 298.9463 -161376.4768 -108987.9005 298.8829 -250.3994 -220.9172 763502.7255 -7.0055 -6.9953 PRESSURE: 462200 -605.556 94.8313 -56.2015 94.8316 -43.5091 9.16019 -56.2002 9.15969 -157.884 GPRESSURE: 462200 -482.773 98.4946 -35.8018 139.922 -18.066 -83.952 -66.4808 -61.7085 -217.456 PRESSAVG: 462200 33.7055 16.4223 -10.7707 16.4223 -31.2488 9.28396 -10.7707 9.28393 -12.846 GPRESSAVG: 462200 33.9611 17.6893 -9.12461 15.4826 -29.9398 9.77713 -12.1958 7.47258 -14.6438 TIMING: 462200 CPU: 1454.28, 0.00312669/step Wall: 1454.28, 0.00312669/step, 3.9412 hours remaining, 235.968750 MB of memory in use. ENERGY: 462200 3984.4307 20402.4839 14481.8955 229.0230 -202883.7256 2473.5795 0.0000 0.0000 51875.1844 -109437.1285 298.1274 -161312.3129 -109074.6486 299.1373 -268.9828 -239.4317 763478.4555 -3.4631 -3.5408 PRESSURE: 462400 529.496 -23.7573 -97.3372 -23.7565 3.71539 -120.111 -97.3392 -120.111 114.105 GPRESSURE: 462400 472.743 -63.4104 -68.836 10.8798 33.2489 -136.224 -134.214 -52.8581 226.763 PRESSAVG: 462400 12.7786 -30.8089 20.61 -30.8089 6.29811 23.0988 20.61 23.0987 22.4067 GPRESSAVG: 462400 13.2893 -32.7469 20.237 -29.0512 5.02925 22.41 20.4493 23.2544 23.4114 TIMING: 462400 CPU: 1454.9, 0.00312616/step Wall: 1454.9, 0.00312616/step, 3.94036 hours remaining, 235.968750 MB of memory in use. ENERGY: 462400 3928.7654 20624.9330 14453.2175 239.2042 -203185.4057 2531.4816 0.0000 0.0000 52079.4145 -109328.3895 299.3011 -161407.8039 -108966.1370 299.0371 215.7722 244.2517 760397.9877 13.8278 13.9100 PRESSURE: 462600 -270.781 36.0264 61.0381 36.027 58.0633 -204.6 61.0375 -204.6 -5.78708 GPRESSURE: 462600 -180.578 135.894 -32.3271 39.0691 52.1292 -215.159 169.105 -96.8683 -3.53267 PRESSAVG: 462600 45.8492 18.5644 -14.8788 18.5644 -28.3196 14.4925 -14.8788 14.4924 -14.5625 GPRESSAVG: 462600 44.3394 19.4006 -16.0055 16.51 -27.1864 13.4623 -11.6706 16.9032 -14.3095 TIMING: 462600 CPU: 1455.53, 0.00315336/step Wall: 1455.53, 0.00315336/step, 3.97447 hours remaining, 235.968750 MB of memory in use. ENERGY: 462600 3996.9260 20531.8612 14497.5775 248.1762 -203433.8426 2796.6300 0.0000 0.0000 52031.7049 -109330.9668 299.0269 -161362.6717 -108980.4345 299.3457 -72.8349 -43.9938 761846.0849 0.9890 0.9479 PRESSURE: 462800 199.374 -115.407 53.1359 -115.408 237.777 -134.421 53.1346 -134.421 448.233 GPRESSURE: 462800 161.597 -111.763 118.822 -62.6787 368.194 -152.651 -64.6093 -101.849 432.519 PRESSAVG: 462800 -16.3795 29.9984 4.4296 29.9983 -25.7387 -25.5578 4.42958 -25.5578 -5.81614 GPRESSAVG: 462800 -16.1799 28.7948 5.16248 31.7112 -26.7714 -25.209 3.66397 -26.1143 -4.48536 TIMING: 462800 CPU: 1456.16, 0.00313429/step Wall: 1456.16, 0.00313429/step, 3.95025 hours remaining, 235.968750 MB of memory in use. ENERGY: 462800 3901.0894 20483.0859 14518.8293 230.4807 -203675.9596 3025.3729 0.0000 0.0000 51988.3101 -109528.7914 298.7775 -161517.1015 -109166.7037 299.1520 295.1282 320.7702 761471.7600 -15.9781 -15.8122 PRESSURE: 463000 -201.203 -97.9614 -3.93896 -97.9622 299.789 -172.592 -3.93942 -172.592 -127.767 GPRESSURE: 463000 -101.67 -101.376 32.8008 35.4089 308.336 -177.884 -31.7202 -207.445 -149.656 PRESSAVG: 463000 -25.8209 -28.1722 83.503 -28.1722 8.86157 -49.2225 83.503 -49.2225 10.7952 GPRESSAVG: 463000 -25.4015 -26.8451 84.1832 -27.2302 9.81606 -48.954 82.5664 -50.5797 9.18006 TIMING: 463000 CPU: 1456.78, 0.00311946/step Wall: 1456.78, 0.00311946/step, 3.93139 hours remaining, 235.968750 MB of memory in use. ENERGY: 463000 3981.9529 20559.6629 14470.8202 225.9162 -203653.4726 2834.7817 0.0000 0.0000 52063.6056 -109516.7331 299.2103 -161580.3387 -109157.8144 298.8919 -9.7270 19.0034 761744.6945 -2.0547 -2.1351 PRESSURE: 463200 -331.709 -225.99 72.6187 -225.989 83.6679 8.86211 72.6182 8.86187 -234.618 GPRESSURE: 463200 -221.958 -197.642 -30.1146 -90.8756 83.9732 -77.8934 161.289 -23.665 -256.705 PRESSAVG: 463200 -21.032 33.1043 29.7826 33.1043 45.4726 -30.7912 29.7826 -30.7912 -3.20751 GPRESSAVG: 463200 -22.0395 33.8324 29.1383 31.7485 45.6555 -30.0788 31.1744 -31.5552 -2.19789 TIMING: 463200 CPU: 1457.41, 0.00311912/step Wall: 1457.41, 0.00311912/step, 3.93079 hours remaining, 235.968750 MB of memory in use. ENERGY: 463200 3973.3609 20689.3064 14506.3271 237.7019 -203496.3575 2627.8427 0.0000 0.0000 51784.4572 -109677.3612 297.6060 -161461.8184 -109323.7431 298.4084 -160.8867 -131.5632 760824.6676 7.0777 7.1394 PRESSURE: 463400 126.767 248.808 -120.235 248.807 268.436 -99.8776 -120.236 -99.8776 282.079 GPRESSURE: 463400 97.6134 118.608 -172.366 226.116 332.604 -87.866 -165.739 -153.424 315.461 PRESSAVG: 463400 -5.38228 42.1809 8.67014 42.1809 26.4717 -35.1646 8.67022 -35.1646 4.14024 GPRESSAVG: 463400 -5.49506 39.3837 8.3546 43.1206 26.6831 -36.2285 8.6692 -34.8569 4.14482 TIMING: 463400 CPU: 1458.03, 0.00311142/step Wall: 1458.03, 0.00311142/step, 3.92091 hours remaining, 235.968750 MB of memory in use. ENERGY: 463400 4005.4473 20449.6579 14508.2446 244.8900 -203908.5047 2835.7945 0.0000 0.0000 51967.0132 -109897.4573 298.6551 -161864.4706 -109541.3308 298.5085 225.7606 248.5595 761207.6533 8.4099 8.4443 PRESSURE: 463600 -13.8858 -11.9478 141.94 -11.9475 -130.491 -116.715 141.94 -116.714 -17.6324 GPRESSURE: 463600 -67.73 4.58433 148.799 -43.3699 -87.1115 -89.3053 145.897 -105.876 69.4737 PRESSAVG: 463600 -13.6235 23.0187 56.2809 23.0186 57.8337 -45.2367 56.281 -45.2367 3.28849 GPRESSAVG: 463600 -12.646 25.3107 57.9583 20.7666 57.0273 -45.3756 54.5802 -43.4752 3.66362 TIMING: 463600 CPU: 1458.65, 0.00311505/step Wall: 1458.65, 0.00311505/step, 3.9253 hours remaining, 235.968750 MB of memory in use. ENERGY: 463600 3950.6656 20488.2035 14470.6848 241.1258 -203340.6084 2429.9585 0.0000 0.0000 51897.2361 -109862.7342 298.2541 -161759.9702 -109503.4254 298.7556 -54.0032 -28.4559 761808.3358 15.8329 16.0150 PRESSURE: 463800 -25.0452 -53.44 -42.2607 -53.4399 -111.238 94.0722 -42.2601 94.0719 404.697 GPRESSURE: 463800 62.9483 -21.7845 -15.0304 -61.2734 -112.173 100.414 21.302 112.099 405.843 PRESSAVG: 463800 -40.5935 41.6708 -0.243831 41.6708 22.9882 -20.0905 -0.243882 -20.0905 6.43588 GPRESSAVG: 463800 -42.0594 39.4459 0.82886 44.3566 23.8175 -18.7567 0.955095 -20.6424 6.58458 TIMING: 463800 CPU: 1459.28, 0.00312008/step Wall: 1459.28, 0.00312008/step, 3.93147 hours remaining, 235.968750 MB of memory in use. ENERGY: 463800 3870.9058 20367.6515 14600.3897 256.2317 -203476.2342 2531.2131 0.0000 0.0000 51944.5621 -109905.2802 298.5261 -161849.8423 -109542.9899 298.2915 89.4711 118.8727 761959.6648 -3.7231 -3.8858 PRESSURE: 464000 -327.671 -42.3868 -0.427961 -42.3866 -13.7367 -225.896 -0.427033 -225.896 -209.606 GPRESSURE: 464000 -254.372 -158.816 45.3988 -95.8299 12.0244 -140.352 -16.0609 -294.885 -201.776 PRESSAVG: 464000 -2.57114 0.0673449 -4.31761 0.0672801 16.2778 8.90584 -4.31756 8.90581 10.48 GPRESSAVG: 464000 -1.47061 1.84933 -5.24392 -1.77727 15.4309 7.84816 -5.39429 6.91889 10.4428 TIMING: 464000 CPU: 1459.9, 0.00310785/step Wall: 1459.9, 0.00310785/step, 3.9159 hours remaining, 235.968750 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: 464000 3958.3346 20409.2693 14511.9431 239.8537 -203349.5476 2605.2116 0.0000 0.0000 51793.3449 -109831.5905 297.6571 -161624.9354 -109479.9790 298.3662 -183.6711 -148.0413 762029.0287 8.0622 8.1343 PRESSURE: 464200 302.855 -125.56 92.5087 -125.56 -31.2155 -255.571 92.5099 -255.572 303.474 GPRESSURE: 464200 372.733 -108.726 91.7436 23.9212 9.6629 -211.471 100.854 -159.158 280.632 PRESSAVG: 464200 30.1624 -11.8025 33.172 -11.8024 19.3327 44.6516 33.172 44.6517 -1.11517 GPRESSAVG: 464200 30.2139 -11.6826 32.7604 -11.6399 19.02 45.1183 32.5386 46.9585 -0.199699 TIMING: 464200 CPU: 1460.52, 0.00312466/step Wall: 1460.52, 0.00312466/step, 3.9369 hours remaining, 235.968750 MB of memory in use. ENERGY: 464200 3889.3092 20360.5843 14516.2596 240.8591 -203739.3546 2729.0420 0.0000 0.0000 52162.7570 -109840.5434 299.7801 -162003.3005 -109476.8376 298.5230 191.7045 221.0093 760994.8063 16.1266 16.3447 LDB: ============= START OF LOAD BALANCING ============== 1472.97 LDB: ============== END OF LOAD BALANCING =============== 1472.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1472.97 LDB: ============= START OF LOAD BALANCING ============== 1473.28 LDB: Largest compute 7076 load 0.037129 is 19.0% of average load 0.194940 LDB: Average compute 0.004423 is 2.3% of average load 0.194940 LDB: TIME 1473.29 LOAD: AVG 0.19494 MAX 0.213797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.254 MB LDB: TIME 1473.29 LOAD: AVG 0.19494 MAX 0.213797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.254 MB LDB: TIME 1473.29 LOAD: AVG 0.19494 MAX 0.213797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.254 MB LDB: ============== END OF LOAD BALANCING =============== 1473.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1473.29 PRESSURE: 464400 166.111 -17.6553 -111.193 -17.6553 -236.937 5.14686 -111.192 5.14597 33.6093 GPRESSURE: 464400 118.495 -39.3923 -96.6553 -107.453 -159.253 7.99139 -157.345 -41.2362 72.8617 PRESSAVG: 464400 60.5233 -30.2375 12.3449 -30.2374 -72.2141 41.8107 12.3449 41.8107 -2.73751 GPRESSAVG: 464400 59.2932 -31.3298 11.6689 -29.8581 -71.2984 39.4576 13.9263 42.6693 -2.67105 TIMING: 464400 CPU: 1461.16, 0.00318202/step Wall: 1461.16, 0.00318202/step, 4.00899 hours remaining, 235.765625 MB of memory in use. ENERGY: 464400 3945.9294 20465.8227 14501.2762 254.8303 -203756.1366 2578.0255 0.0000 0.0000 52087.8981 -109922.3545 299.3499 -162010.2526 -109549.8853 298.5669 -12.4056 10.7013 761418.5951 -4.8094 -4.8921 PRESSURE: 464600 -135.041 -23.4445 34.4771 -23.445 152.043 194.355 34.4779 194.356 285.099 GPRESSURE: 464600 46.5964 47.8966 -34.2881 -4.1703 113.637 209.816 -79.3418 58.0483 218.868 PRESSAVG: 464600 -9.83819 -14.4529 -1.65058 -14.4529 38.8011 29.8031 -1.65051 29.8031 11.208 GPRESSAVG: 464600 -8.40794 -12.0962 -0.446972 -14.6499 38.1643 32.0791 -1.61442 29.4416 10.603 TIMING: 464600 CPU: 1461.79, 0.0031358/step Wall: 1461.79, 0.0031358/step, 3.95059 hours remaining, 235.968750 MB of memory in use. ENERGY: 464600 3905.2530 20472.8056 14463.8222 244.0124 -203541.6764 2773.2064 0.0000 0.0000 51781.4462 -109901.1305 297.5887 -161682.5768 -109537.4579 298.5106 100.7003 126.3670 760938.2860 13.3903 13.4531 PRESSURE: 464800 319.013 -4.93113 176.618 -4.93188 -138.265 23.922 176.619 23.9214 6.99699 GPRESSURE: 464800 329.487 -50.0917 186.317 -119.234 -116.64 57.4466 188.799 -14.5162 53.1274 PRESSAVG: 464800 -1.86756 -54.156 33.1115 -54.156 -0.723118 -19.7367 33.1115 -19.7366 4.89059 GPRESSAVG: 464800 -2.2794 -56.7986 32.3217 -57.0637 -0.664003 -20.635 32.4183 -21.9301 4.86435 TIMING: 464800 CPU: 1462.41, 0.00312863/step Wall: 1462.41, 0.00312863/step, 3.94138 hours remaining, 236.171875 MB of memory in use. ENERGY: 464800 3958.2848 20372.0531 14481.1213 242.9061 -203768.4045 2931.7679 0.0000 0.0000 52090.4090 -109691.8623 299.3643 -161782.2713 -109326.8528 298.1470 62.5818 88.6579 762240.4847 0.7666 0.6403 PRESSURE: 465000 384.777 -52.1066 -157.837 -52.1064 68.658 62.6328 -157.838 62.6341 440.291 GPRESSURE: 465000 384.843 33.1872 -126.34 -64.2099 111.057 76.7894 -301.323 60.7558 489.686 PRESSAVG: 465000 31.1401 -67.403 9.45388 -67.403 12.525 -39.1991 9.45392 -39.1991 -1.49745 GPRESSAVG: 465000 30.2137 -65.591 9.97702 -67.1408 13.1021 -38.47 7.55637 -39.1902 -1.48479 TIMING: 465000 CPU: 1463.04, 0.00313796/step Wall: 1463.04, 0.00313796/step, 3.95296 hours remaining, 236.171875 MB of memory in use. ENERGY: 465000 3919.3450 20370.0525 14504.0946 262.8907 -203772.1032 3005.8895 0.0000 0.0000 51909.6482 -109800.1828 298.3255 -161709.8310 -109432.2647 297.8926 297.9087 328.5288 761803.3244 14.0559 13.9437 PRESSURE: 465200 -75.651 45.535 72.9796 45.5351 -98.4332 -128.613 72.9799 -128.613 -59.5189 GPRESSURE: 465200 -46.8119 -38.6875 32.673 75.1864 7.18182 -179.063 18.2023 -158.008 -103.544 PRESSAVG: 465200 -14.9774 -38.0347 -20.401 -38.0347 40.572 -15.4832 -20.4009 -15.4832 -37.3489 GPRESSAVG: 465200 -14.808 -39.8986 -20.7244 -36.3955 40.9898 -15.8572 -19.3008 -13.9607 -37.855 TIMING: 465200 CPU: 1463.67, 0.00315142/step Wall: 1463.67, 0.00315142/step, 3.96974 hours remaining, 236.171875 MB of memory in use. ENERGY: 465200 3961.3703 20498.3678 14495.9581 245.5132 -203240.4766 2502.1345 0.0000 0.0000 52051.9925 -109485.1402 299.1435 -161537.1327 -109134.3392 298.6302 -77.8677 -47.7247 761724.4833 -3.9181 -3.8911 PRESSURE: 465400 -304.921 8.61006 -22.3725 8.60951 72.1449 -291.441 -22.3722 -291.44 -131.947 GPRESSURE: 465400 -198.021 77.4702 44.0057 -133.906 16.9329 -295.207 18.6937 -235.303 -111.805 PRESSAVG: 465400 -26.2966 -20.3189 6.0437 -20.3189 55.4963 1.87122 6.04377 1.87127 26.2927 GPRESSAVG: 465400 -26.1928 -19.9182 6.89078 -19.7169 55.4292 0.625989 7.91246 1.344 26.0674 TIMING: 465400 CPU: 1464.3, 0.00314497/step Wall: 1464.3, 0.00314497/step, 3.96144 hours remaining, 236.171875 MB of memory in use. ENERGY: 465400 4002.8969 20643.5352 14491.9406 238.9606 -203362.0546 2472.2907 0.0000 0.0000 52039.8532 -109472.5773 299.0738 -161512.4306 -109106.7180 299.0460 -121.5744 -97.6309 761503.9355 18.4975 18.4346 PRESSURE: 465600 361.013 13.4643 170.114 13.4642 87.2772 -69.6085 170.114 -69.6083 -46.6794 GPRESSURE: 465600 360.684 -44.5823 125.849 -131.53 151.38 -16.3951 126.876 -120.858 -29.1831 PRESSAVG: 465600 46.568 -39.8235 26.8961 -39.8234 9.70383 27.0587 26.8961 27.0588 31.6465 GPRESSAVG: 465600 44.0677 -39.1154 25.8994 -40.1544 10.7637 28.786 25.7158 25.415 32.7245 TIMING: 465600 CPU: 1464.92, 0.00312695/step Wall: 1464.92, 0.00312695/step, 3.93857 hours remaining, 236.171875 MB of memory in use. ENERGY: 465600 3989.8221 20500.4170 14560.6963 245.1246 -203102.5667 2374.0896 0.0000 0.0000 51749.8107 -109682.6065 297.4069 -161432.4172 -109320.8494 298.8481 133.8704 160.9601 760346.5652 29.3061 29.1853 PRESSURE: 465800 -200.302 4.25787 -29.573 4.25803 214.508 79.8614 -29.5729 79.8615 23.9633 GPRESSURE: 465800 -126.349 29.179 42.8551 4.21763 199.053 13.7644 -69.4249 55.9473 62.8277 PRESSAVG: 465800 -15.6686 44.5462 25.9532 44.5462 3.90676 -5.47618 25.9532 -5.4762 -2.60893 GPRESSAVG: 465800 -13.3343 44.6809 25.6247 42.6173 2.11338 -4.31346 25.9424 -6.29107 -3.2875 TIMING: 465800 CPU: 1465.55, 0.00312954/step Wall: 1465.55, 0.00312954/step, 3.94166 hours remaining, 236.171875 MB of memory in use. ENERGY: 465800 3986.3780 20452.1912 14539.7365 242.6690 -203674.2181 2638.2446 0.0000 0.0000 52131.9587 -109683.0402 299.6031 -161814.9989 -109320.9730 298.4408 12.7229 45.1773 760824.1066 -4.7903 -4.8361 PRESSURE: 466000 157.509 -105.697 -70.1384 -105.697 -27.9805 96.5933 -70.1378 96.5947 4.81347 GPRESSURE: 466000 219.103 -63.7511 -84.7491 -183.968 36.1712 -24.7701 -113.962 214.057 -48.3101 PRESSAVG: 466000 7.63273 -22.0723 -24.8999 -22.0723 -2.47373 15.344 -24.8999 15.344 0.128387 GPRESSAVG: 466000 8.39334 -24.9868 -23.8584 -20.2844 -3.16795 13.2072 -24.4631 18.1127 -0.0808002 TIMING: 466000 CPU: 1466.18, 0.00312738/step Wall: 1466.18, 0.00312738/step, 3.93876 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: 466000 4056.0728 20580.0092 14489.1376 236.9975 -203627.0507 2596.6568 0.0000 0.0000 51947.9797 -109720.1971 298.5458 -161668.1768 -109365.7810 298.2049 44.7806 68.9882 759778.7282 1.7625 1.7149 PRESSURE: 466200 -60.5346 -157.124 4.69613 -157.124 -178.849 84.7777 4.69576 84.7774 -107.401 GPRESSURE: 466200 -27.6749 -157.983 152.478 -99.1726 -136.689 135.844 10.3563 11.9377 -98.5501 PRESSAVG: 466200 -4.39763 -37.425 -25.341 -37.4249 46.7827 -21.4181 -25.341 -21.4182 4.11653 GPRESSAVG: 466200 -6.17407 -35.5574 -24.8444 -40.0036 48.2252 -21.3166 -24.0019 -21.6645 4.0288 TIMING: 466200 CPU: 1466.81, 0.00315239/step Wall: 1466.81, 0.00315239/step, 3.97008 hours remaining, 236.171875 MB of memory in use. ENERGY: 466200 4021.8474 20535.8621 14563.6381 255.9338 -203129.0259 2283.3874 0.0000 0.0000 51822.1518 -109646.2053 297.8226 -161468.3571 -109285.1578 299.0061 -115.5950 -87.6381 761448.0533 15.5005 15.3600 PRESSURE: 466400 -239.652 -19.5043 -7.74095 -19.5037 -107.848 67.9936 -7.74174 67.9935 -52.7176 GPRESSURE: 466400 -226.992 -45.6192 30.5268 107.618 -126.71 -1.11947 -59.8869 6.28662 25.664 PRESSAVG: 466400 -25.3581 -36.1852 -17.0593 -36.1853 6.42116 8.68755 -17.0592 8.68749 8.06064 GPRESSAVG: 466400 -24.4271 -36.9428 -17.0389 -35.1395 5.627 6.9421 -19.85 9.27499 7.98081 TIMING: 466400 CPU: 1467.43, 0.00313367/step Wall: 1467.43, 0.00313368/step, 3.94634 hours remaining, 236.171875 MB of memory in use. ENERGY: 466400 4049.8069 20557.9448 14536.3471 232.9245 -203479.6687 2622.5877 0.0000 0.0000 51760.9475 -109719.1102 297.4709 -161480.0578 -109356.7285 298.3162 -133.4058 -109.3459 761338.7330 -3.6254 -3.6064 PRESSURE: 466600 -3.77366 -115.822 17.9979 -115.822 -244.954 -5.97369 17.998 -5.97337 253.042 GPRESSURE: 466600 34.3001 -101.181 -73.6749 -85.9331 -246.15 97.2071 203.868 52.516 315.079 PRESSAVG: 466600 -10.7543 -14.2851 -37.4169 -14.2851 -31.7499 -52.2775 -37.4168 -52.2775 4.90282 GPRESSAVG: 466600 -11.8283 -11.5156 -37.1979 -13.9752 -30.625 -50.5896 -37.0051 -51.8433 5.26765 TIMING: 466600 CPU: 1468.06, 0.00312841/step Wall: 1468.06, 0.00312841/step, 3.93954 hours remaining, 236.171875 MB of memory in use. ENERGY: 466600 3946.5492 20527.0661 14599.6971 248.6192 -203586.6205 2654.3418 0.0000 0.0000 52035.2681 -109575.0791 299.0474 -161610.3471 -109223.2633 298.4118 1.4380 34.4095 761557.3506 -12.5338 -12.3952 PRESSURE: 466800 -70.6355 112.067 114.776 112.067 107.795 -138.389 114.776 -138.388 237.976 GPRESSURE: 466800 -47.7125 140.426 133.076 146.038 159.851 -77.6965 99.4642 -162.439 246.306 PRESSAVG: 466800 -50.5999 -11.6353 4.86688 -11.6353 46.9123 24.9066 4.8669 24.9065 8.71579 GPRESSAVG: 466800 -49.0329 -15.1078 4.30861 -10.3203 45.7171 24.6666 4.46102 24.5828 8.3794 TIMING: 466800 CPU: 1468.69, 0.00314641/step Wall: 1468.69, 0.00314641/step, 3.96202 hours remaining, 236.171875 MB of memory in use. ENERGY: 466800 4041.2469 20463.3629 14507.3674 254.4177 -203848.2549 3005.5982 0.0000 0.0000 52071.7438 -109504.5182 299.2570 -161576.2620 -109140.8696 298.8765 91.7118 119.4817 763141.5255 1.6761 1.6879 PRESSURE: 467000 244.125 -121.025 102.331 -121.025 309.302 -259.025 102.332 -259.025 -194.952 GPRESSURE: 467000 271.977 -111.254 41.808 -124.18 260.761 -310.551 -84.0467 -351.007 -89.372 PRESSAVG: 467000 19.2271 -18.1214 -24.7834 -18.1213 -32.69 -49.0733 -24.7834 -49.0732 0.0980167 GPRESSAVG: 467000 20.6873 -16.1091 -25.2448 -19.2747 -33.7001 -50.3289 -23.1787 -49.3407 0.0683015 TIMING: 467000 CPU: 1469.31, 0.0031306/step Wall: 1469.31, 0.0031306/step, 3.94195 hours remaining, 236.171875 MB of memory in use. ENERGY: 467000 3936.4236 20562.3836 14596.9454 248.9411 -203666.0388 2966.3180 0.0000 0.0000 51831.9816 -109523.0454 297.8791 -161355.0270 -109171.4921 298.9849 119.4916 147.7885 763479.7978 -4.4550 -4.3148 PRESSURE: 467200 -163.31 -154.905 -123.33 -154.905 261.731 176.049 -123.331 176.049 0.184522 GPRESSURE: 467200 -89.8304 -132.109 10.189 -168.101 211.537 224.586 -136.717 152.029 71.7863 PRESSAVG: 467200 9.42407 -67.5113 -10.3387 -67.5112 -12.9214 -26.5366 -10.3386 -26.5366 -3.20488 GPRESSAVG: 467200 7.49928 -66.6867 -11.0225 -69.6731 -11.6356 -24.5635 -10.9145 -27.4383 -2.13876 TIMING: 467200 CPU: 1469.94, 0.00314054/step Wall: 1469.94, 0.00314054/step, 3.95429 hours remaining, 236.171875 MB of memory in use. ENERGY: 467200 3997.3040 20556.6897 14530.7116 258.4380 -203524.8432 2846.1933 0.0000 0.0000 51849.9067 -109485.5999 297.9821 -161335.5065 -109134.0214 298.9485 32.8685 64.4977 763145.1466 -2.2341 -2.0917 PRESSURE: 467400 131.672 -165.164 30.405 -165.164 200.537 -91.6717 30.4048 -91.6719 67.0358 GPRESSURE: 467400 129.348 -89.1278 -44.4164 -198.005 231.622 -35.9409 -41.8572 -147.242 146.37 PRESSAVG: 467400 0.418964 -26.1087 -55.922 -26.1087 24.346 -14.8204 -55.9218 -14.8204 -14.1537 GPRESSAVG: 467400 1.80367 -27.0964 -54.2002 -23.357 24.3102 -15.1161 -56.5347 -12.8065 -15.3961 TIMING: 467400 CPU: 1470.57, 0.00315115/step Wall: 1470.57, 0.00315116/step, 3.96748 hours remaining, 236.171875 MB of memory in use. ENERGY: 467400 3924.3565 20557.0544 14436.9971 239.9485 -203508.7585 2659.5696 0.0000 0.0000 52171.2064 -109519.6260 299.8286 -161690.8324 -109164.4250 298.9816 133.0816 169.1134 762154.2719 3.5371 3.5726 PRESSURE: 467600 -118.534 -18.7161 -34.3315 -18.7159 98.4607 216.087 -34.3322 216.088 165.922 GPRESSURE: 467600 -106.807 3.29335 -88.6514 3.5792 99.2012 260.139 18.072 171.026 232.093 PRESSAVG: 467600 -1.95023 -8.12197 26.1728 -8.12197 -1.07829 13.4483 26.1728 13.4484 -1.479 GPRESSAVG: 467600 -2.84484 -7.76411 24.419 -7.58454 -1.29901 12.2605 27.4358 12.9511 -0.799017 TIMING: 467600 CPU: 1471.2, 0.00314606/step Wall: 1471.2, 0.00314606/step, 3.96089 hours remaining, 236.171875 MB of memory in use. ENERGY: 467600 4007.3586 20538.4076 14361.3212 269.2858 -203829.7458 2846.1652 0.0000 0.0000 51989.6865 -109817.5208 298.7854 -161807.2074 -109461.0337 298.3863 48.6163 74.8289 762790.8902 -1.5025 -1.6476 PRESSURE: 467800 -268.364 -156.457 233.009 -156.456 183.4 92.2285 233.009 92.2285 281.481 GPRESSURE: 467800 -261.176 -180.723 222.788 -158.741 241.219 305.411 68.4941 65.7027 305.241 PRESSAVG: 467800 56.5676 -17.2915 26.5996 -17.2914 -22.8034 -1.82006 26.5996 -1.82015 -1.44498 GPRESSAVG: 467800 56.1188 -17.8688 28.4837 -18.0641 -21.2686 -0.566747 25.4396 -1.308 -2.16651 TIMING: 467800 CPU: 1471.83, 0.00314825/step Wall: 1471.83, 0.00314825/step, 3.96347 hours remaining, 236.171875 MB of memory in use. ENERGY: 467800 4023.6551 20493.0020 14436.8504 247.5477 -203846.8774 2851.8036 0.0000 0.0000 51894.1926 -109899.8261 298.2366 -161794.0187 -109543.8365 298.1772 65.5056 95.0948 762790.7343 10.7731 10.8946 PRESSURE: 468000 -284.869 -123.234 190.801 -123.234 -22.8727 90.5263 190.801 90.5263 -407.477 GPRESSURE: 468000 -189.472 -203.829 196.282 -108.842 -36.8582 41.0183 206.753 -16.646 -394.904 PRESSAVG: 468000 15.5472 -21.8924 6.55073 -21.8924 -48.9702 -30.3636 6.55074 -30.3637 1.94665 GPRESSAVG: 468000 16.2089 -20.6076 6.07038 -22.2029 -49.0084 -30.4097 7.57391 -33.3958 1.55389 TIMING: 468000 CPU: 1472.45, 0.00311843/step Wall: 1472.45, 0.00311843/step, 3.92576 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: 468000 4012.3153 20443.1673 14503.4185 252.0693 -203690.0820 2804.5586 0.0000 0.0000 51966.7278 -109707.8252 298.6535 -161674.5529 -109349.7768 298.1740 -238.4061 -207.0781 761754.3233 -10.4921 -10.4152 PRESSURE: 468200 -110.208 -69.3507 -163.308 -69.3506 -241.08 -240.994 -163.308 -240.995 -722.471 GPRESSURE: 468200 -87.1533 -98.854 -178.601 -85.4697 -181.377 -295.068 -74.53 -193.286 -713.135 PRESSAVG: 468200 24.6432 -24.5848 36.8052 -24.5848 -37.9808 3.09487 36.8051 3.09491 -2.70937 GPRESSAVG: 468200 24.8341 -26.3503 36.5561 -25.4062 -38.5731 2.33818 35.9589 4.90574 -2.57368 TIMING: 468200 CPU: 1473.09, 0.00315642/step Wall: 1473.09, 0.00315642/step, 3.97341 hours remaining, 236.171875 MB of memory in use. ENERGY: 468200 4019.4883 20404.6887 14467.2060 251.2118 -203444.0590 2623.1279 0.0000 0.0000 52057.0126 -109621.3237 299.1724 -161678.3362 -109249.6067 298.3623 -357.9197 -327.2218 763253.2526 -5.3490 -5.4376 LDB: ============= START OF LOAD BALANCING ============== 1485.54 LDB: ============== END OF LOAD BALANCING =============== 1485.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1485.54 LDB: ============= START OF LOAD BALANCING ============== 1485.85 LDB: Largest compute 7026 load 0.036966 is 19.0% of average load 0.194956 LDB: Average compute 0.004411 is 2.3% of average load 0.194956 LDB: TIME 1485.86 LOAD: AVG 0.194956 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.297 MB LDB: TIME 1485.86 LOAD: AVG 0.194956 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: TIME 1485.86 LOAD: AVG 0.194956 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: ============== END OF LOAD BALANCING =============== 1485.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1485.87 PRESSURE: 468400 468.536 168.258 131.17 168.258 -40.9146 -21.6107 131.17 -21.6107 58.7081 GPRESSURE: 468400 478.563 123.972 118.443 209.107 6.23868 5.99662 153.63 -10.1273 78.8641 PRESSAVG: 468400 -23.4602 -15.2551 -14.6361 -15.2551 -25.7849 -69.5071 -14.6361 -69.5071 1.66956 GPRESSAVG: 468400 -24.3256 -15.5279 -14.7345 -14.0104 -25.3803 -69.4993 -15.0216 -70.9879 1.98261 TIMING: 468400 CPU: 1473.73, 0.00321754/step Wall: 1473.73, 0.00321754/step, 4.05017 hours remaining, 234.484375 MB of memory in use. ENERGY: 468400 3960.6481 20545.2462 14417.7944 244.1879 -203715.5327 3021.3739 0.0000 0.0000 51873.1019 -109653.1802 298.1154 -161526.2821 -109288.2225 298.5810 162.1100 187.8887 762863.0752 -15.8585 -15.9078 PRESSURE: 468600 215.778 2.32747 -195.658 2.327 143.101 109.701 -195.658 109.702 -4.29391 GPRESSURE: 468600 247.958 -20.2092 -103.849 -62.4164 149.429 245.295 -137.44 132.627 39.3919 PRESSAVG: 468600 43.4667 -48.1959 1.08538 -48.1959 -17.4265 -5.61395 1.08543 -5.61395 1.72978 GPRESSAVG: 468600 45.9413 -47.5235 0.483873 -48.3132 -18.8456 -5.08797 1.25377 -3.13837 0.39082 TIMING: 468600 CPU: 1474.36, 0.00314811/step Wall: 1474.36, 0.00314811/step, 3.9626 hours remaining, 234.484375 MB of memory in use. ENERGY: 468600 3984.4868 20406.6819 14474.9361 257.1655 -203586.3488 2790.0833 0.0000 0.0000 52019.9648 -109653.0306 298.9595 -161672.9953 -109286.0643 299.0101 118.1952 145.5932 761984.3868 9.2567 9.1622 PRESSURE: 468800 -80.6317 -8.7187 -72.3752 -8.71849 -163.424 -98.6418 -72.3753 -98.642 118.517 GPRESSURE: 468800 -35.0531 43.0199 -25.6073 -124.991 -100.692 -115.575 -73.0283 10.628 84.53 PRESSAVG: 468800 -62.461 -68.3165 -3.04446 -68.3165 66.6118 -23.3385 -3.04448 -23.3385 5.84398 GPRESSAVG: 468800 -65.6214 -70.4789 -3.65513 -68.302 67.5053 -24.271 -3.59067 -22.0474 7.90894 TIMING: 468800 CPU: 1474.99, 0.00314545/step Wall: 1474.99, 0.00314545/step, 3.95907 hours remaining, 234.687500 MB of memory in use. ENERGY: 468800 3971.7439 20361.3748 14494.1484 268.7733 -203407.3516 2615.5557 0.0000 0.0000 51840.0340 -109855.7214 297.9254 -161695.7554 -109500.5970 298.5067 -41.8461 -17.0716 762322.7782 3.3316 3.2643 PRESSURE: 469000 35.6901 -255.386 -65.9412 -255.386 59.8984 118.205 -65.9413 118.204 171.687 GPRESSURE: 469000 33.7037 -138.877 -61.1456 -144.15 137.614 74.7472 -62.2716 112.609 201.385 PRESSAVG: 469000 18.396 -49.6964 -33.7657 -49.6964 -14.5606 11.9622 -33.7657 11.9622 -0.161653 GPRESSAVG: 469000 21.2426 -48.0393 -33.4948 -50.5717 -16.0909 13.9421 -34.7692 10.7824 -1.02649 TIMING: 469000 CPU: 1475.62, 0.00316188/step Wall: 1475.62, 0.00316188/step, 3.97958 hours remaining, 234.687500 MB of memory in use. ENERGY: 469000 4045.1871 20399.4853 14546.2849 256.4932 -203871.3261 2901.1165 0.0000 0.0000 51890.2641 -109832.4950 298.2141 -161722.7591 -109483.8722 298.0284 89.0918 124.2342 762871.0407 1.2246 1.3751 PRESSURE: 469200 -527.631 -177.126 435.358 -177.126 5.08602 47.6666 435.358 47.6664 -489.983 GPRESSURE: 469200 -551.3 -181.698 467.524 -48.1046 48.5563 161.811 354.329 115.042 -410.041 PRESSAVG: 469200 0.193159 -62.2167 24.5897 -62.2167 -37.4035 -31.2539 24.5896 -31.2538 -14.2118 GPRESSAVG: 469200 -2.07091 -62.943 24.9743 -60.8221 -35.3021 -32.7606 25.8464 -31.2637 -14.2909 TIMING: 469200 CPU: 1476.26, 0.00318617/step Wall: 1476.26, 0.00318617/step, 4.00997 hours remaining, 234.687500 MB of memory in use. ENERGY: 469200 4012.6063 20515.0319 14510.5992 249.4691 -203551.0252 2466.9340 0.0000 0.0000 51830.3975 -109965.9871 297.8700 -161796.3846 -109617.4933 298.6407 -337.5095 -304.2617 763288.7734 -17.1407 -17.2213 PRESSURE: 469400 199.185 290.872 45.3536 290.871 -43.3153 95.2166 45.3533 95.2166 -105.145 GPRESSURE: 469400 190.97 128.646 28.3392 188.242 -92.7065 73.9013 136.456 7.03791 38.6865 PRESSAVG: 469400 34.5453 -52.252 0.536868 -52.252 -17.2013 -10.3877 0.536861 -10.3877 -1.81109 GPRESSAVG: 469400 35.888 -51.3534 0.00411732 -53.6053 -18.831 -8.94818 0.829093 -10.6659 -1.77617 TIMING: 469400 CPU: 1476.89, 0.00315578/step Wall: 1476.89, 0.00315578/step, 3.97155 hours remaining, 234.687500 MB of memory in use. ENERGY: 469400 3977.6892 20607.9653 14515.9691 248.4818 -203692.4632 2672.8847 0.0000 0.0000 51680.7811 -109988.6921 297.0102 -161669.4731 -109629.4212 297.8493 16.9082 45.6501 761129.0263 5.1777 5.0936 PRESSURE: 469600 -163.546 -75.1041 -48.0547 -75.104 247.218 -34.5586 -48.054 -34.5589 -303.263 GPRESSURE: 469600 -140.584 -180.688 34.7111 -30.7587 289.553 -36.1253 144.859 24.3171 -276.032 PRESSAVG: 469600 -12.6482 -7.11371 -15.0697 -7.11376 10.8683 2.99202 -15.0697 2.99198 -17.5093 GPRESSAVG: 469600 -14.0252 -6.35177 -14.7048 -7.74052 11.3032 3.05212 -14.2275 4.22363 -16.2928 TIMING: 469600 CPU: 1477.52, 0.00316143/step Wall: 1477.52, 0.00316143/step, 3.97849 hours remaining, 234.687500 MB of memory in use. ENERGY: 469600 3990.4045 20581.4656 14506.1898 224.5306 -203889.2994 2723.4807 0.0000 0.0000 51846.8646 -110016.3636 297.9646 -161863.2282 -109652.4676 298.1668 -73.1970 -42.3545 762350.2239 -6.4297 -6.3383 PRESSURE: 469800 193.743 8.14786 -177.953 8.14792 120.481 6.35384 -177.952 6.35321 -392.957 GPRESSURE: 469800 185.516 71.9841 -112.744 102.01 154.484 -28.4399 -253.68 -4.94218 -323.548 PRESSAVG: 469800 7.17332 -69.5963 54.08 -69.5963 -42.0473 -22.8626 54.08 -22.8626 -26.9495 GPRESSAVG: 469800 7.89202 -71.4614 55.6688 -68.4045 -42.797 -22.6405 50.3466 -25.2169 -26.9833 TIMING: 469800 CPU: 1478.16, 0.00316955/step Wall: 1478.16, 0.00316955/step, 3.98852 hours remaining, 234.687500 MB of memory in use. ENERGY: 469800 3969.5527 20485.5079 14485.5105 228.6345 -203721.7475 3020.4456 0.0000 0.0000 51790.3241 -109741.7722 297.6397 -161532.0963 -109375.2291 298.1555 -26.2444 5.4837 764430.9885 -20.6078 -20.6294 PRESSURE: 470000 -157.487 -164.199 -105.333 -164.199 -396.25 82.3047 -105.333 82.3045 -33.8841 GPRESSURE: 470000 -35.5355 -95.758 -132.55 -101.942 -475.294 183.978 -254.957 52.6424 -0.122606 PRESSAVG: 470000 15.0352 -8.47323 -20.0824 -8.4733 -69.5223 35.1947 -20.0825 35.1947 -0.201455 GPRESSAVG: 470000 14.4189 -7.35873 -20.4465 -8.75866 -68.391 34.3556 -18.2556 33.9744 -1.65438 TIMING: 470000 CPU: 1478.78, 0.00313257/step Wall: 1478.78, 0.00313257/step, 3.94182 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: 470000 4027.6061 20525.7799 14487.3784 258.8433 -203432.9355 2559.4790 0.0000 0.0000 51996.1262 -109577.7227 298.8225 -161573.8489 -109220.2965 298.2619 -195.8739 -170.3174 763407.2356 -18.2295 -18.5421 PRESSURE: 470200 174.687 141.722 -13.4311 141.721 -148.217 -35.0648 -13.4311 -35.0664 -325.41 GPRESSURE: 470200 171.615 106.405 -3.10586 152.634 -68.8865 -118.444 -43.2623 -97.0621 -304.056 PRESSAVG: 470200 28.7415 14.0733 -33.5735 14.0733 -31.3462 21.187 -33.5736 21.187 29.7707 GPRESSAVG: 470200 30.1083 13.0483 -34.4909 13.2157 -32.2829 21.8379 -34.557 23.4342 29.5914 TIMING: 470200 CPU: 1479.41, 0.00314265/step Wall: 1479.41, 0.00314265/step, 3.95432 hours remaining, 234.687500 MB of memory in use. ENERGY: 470200 4084.5255 20450.1571 14400.4845 258.3505 -203381.1885 2763.1836 0.0000 0.0000 51753.5268 -109670.9605 297.4282 -161424.4872 -109312.3336 298.3923 -99.6467 -67.1091 762885.2887 9.0553 9.1389 PRESSURE: 470400 303.368 -79.8767 215.118 -79.8767 -237.048 -5.43689 215.117 -5.43646 179.541 GPRESSURE: 470400 281.995 -77.7804 247.033 -135.778 -126.717 -88.2718 160.199 58.8539 166.092 PRESSAVG: 470400 70.0545 30.3083 7.09912 30.3082 -91.0943 7.62398 7.09907 7.62394 -14.2394 GPRESSAVG: 470400 68.6753 32.1278 7.9076 28.255 -90.4698 6.8244 7.05301 8.00244 -13.4898 TIMING: 470400 CPU: 1480.04, 0.003165/step Wall: 1480.04, 0.003165/step, 3.98227 hours remaining, 234.687500 MB of memory in use. ENERGY: 470400 3983.1580 20385.1335 14460.3021 233.9042 -203668.2176 2546.6349 0.0000 0.0000 52275.9289 -109783.1561 300.4305 -162059.0850 -109400.8852 298.3702 81.9538 107.1230 761646.8967 -11.7597 -11.7614 PRESSURE: 470600 -80.4574 -68.2998 -33.0506 -68.2999 -155.001 114.768 -33.0511 114.769 -158.139 GPRESSURE: 470600 -92.0397 15.0953 -75.717 26.7918 -83.2571 145.131 -25.7719 71.4419 -128.084 PRESSAVG: 470600 52.726 18.9881 13.5973 18.988 -45.5001 -12.0048 13.5972 -12.0048 -2.40809 GPRESSAVG: 470600 53.9363 18.3144 14.0778 21.7774 -46.3787 -11.1147 15.2083 -14.1328 -2.48133 TIMING: 470600 CPU: 1480.67, 0.00315733/step Wall: 1480.67, 0.00315733/step, 3.97244 hours remaining, 234.687500 MB of memory in use. ENERGY: 470600 4029.5531 20557.6724 14463.5356 244.6213 -203471.2099 2600.2043 0.0000 0.0000 52014.9356 -109560.6877 298.9306 -161575.6233 -109190.0230 298.6344 -131.1991 -101.1270 762743.3694 1.6060 1.6921 PRESSURE: 470800 -312.228 62.6539 -15.6564 62.6545 -62.166 8.22062 -15.6556 8.2219 -241.857 GPRESSURE: 470800 -232.276 -104.483 -63.9713 48.3558 -38.9644 74.2815 2.31859 49.2535 -225.853 PRESSAVG: 470800 63.0176 28.8302 -30.2144 28.8302 -23.9329 -12.1599 -30.2145 -12.1599 -0.864397 GPRESSAVG: 470800 63.2039 28.2533 -33.1929 28.4281 -23.017 -14.1256 -28.1019 -10.4287 -1.23473 TIMING: 470800 CPU: 1481.31, 0.00318347/step Wall: 1481.31, 0.00318347/step, 4.00515 hours remaining, 234.687500 MB of memory in use. ENERGY: 470800 4027.9325 20588.2716 14519.0354 256.8078 -203231.8357 2362.9481 0.0000 0.0000 52012.2174 -109464.6230 298.9149 -161476.8404 -109107.0876 299.5693 -205.4170 -165.6977 760279.7575 12.7401 12.9841 PRESSURE: 471000 -139.2 327.6 -170.086 327.6 143.058 -157.09 -170.087 -157.089 191.901 GPRESSURE: 471000 -117.865 389.24 -200.982 311.869 221.971 -160.745 40.3229 -169.797 188.216 PRESSAVG: 471000 -22.5437 19.1661 -15.3811 19.166 -1.60917 -28.2471 -15.3811 -28.2471 -5.89634 GPRESSAVG: 471000 -22.6462 20.1209 -13.5939 20.2551 -1.53638 -26.3869 -16.6691 -28.4843 -5.80874 TIMING: 471000 CPU: 1481.94, 0.00316075/step Wall: 1481.94, 0.00316075/step, 3.97641 hours remaining, 234.687500 MB of memory in use. ENERGY: 471000 4009.3687 20523.4606 14489.7552 258.2162 -203848.6579 2791.4350 0.0000 0.0000 52077.3723 -109699.0500 299.2894 -161776.4223 -109343.7775 299.0418 65.2530 97.4407 761486.7117 -10.0164 -9.9971 PRESSURE: 471200 -266.849 114.001 -121.203 114 87.7762 -17.7671 -121.203 -17.7673 -98.5343 GPRESSURE: 471200 -321.047 125.182 -113.733 224.223 184.768 -3.8127 -45.838 77.3334 -48.2417 PRESSAVG: 471200 33.2435 22.7997 -17.6599 22.7998 -18.9402 -76.1527 -17.6599 -76.1527 -9.47596 GPRESSAVG: 471200 33.4109 20.7821 -17.3845 22.2284 -19.3952 -76.6964 -18.1103 -75.7925 -8.84363 TIMING: 471200 CPU: 1482.57, 0.00313721/step Wall: 1482.57, 0.00313721/step, 3.94661 hours remaining, 234.687500 MB of memory in use. ENERGY: 471200 3874.4143 20461.5738 14537.0588 251.1392 -203181.0921 2308.3939 0.0000 0.0000 52021.4969 -109727.0153 298.9683 -161748.5121 -109356.8853 298.5603 -92.5357 -61.5072 762438.6662 1.6091 1.7240 PRESSURE: 471400 44.1278 213.74 -113.749 213.74 -22.8493 -184.134 -113.749 -184.135 470.216 GPRESSURE: 471400 92.0836 238.765 -104.785 234.641 112.567 -157.26 -31.0363 -29.2013 362.486 PRESSAVG: 471400 -19.2112 3.02361 20.6122 3.02359 -4.86577 -19.3053 20.6122 -19.3053 -15.6046 GPRESSAVG: 471400 -19.2991 3.0572 20.5256 2.56805 -4.36502 -18.2842 21.4742 -19.4541 -16.4673 TIMING: 471400 CPU: 1483.2, 0.00315123/step Wall: 1483.2, 0.00315123/step, 3.96407 hours remaining, 234.687500 MB of memory in use. ENERGY: 471400 3973.0095 20521.7787 14473.1712 237.8241 -203251.7240 2373.3874 0.0000 0.0000 51836.3372 -109836.2161 297.9041 -161672.5532 -109471.6974 298.7246 163.8314 189.0456 760784.9490 -13.2272 -13.3771 PRESSURE: 471600 -289.259 -115.33 160.067 -115.33 81.6848 -143.439 160.066 -143.439 -347.009 GPRESSURE: 471600 -227.949 -4.81199 165.948 -29.049 98.3903 -125.934 111.608 -191.355 -355.672 PRESSAVG: 471600 11.725 3.34875 2.9529 3.34875 7.57433 -27.811 2.9529 -27.811 -5.0085 GPRESSAVG: 471600 10.8975 7.56497 4.15917 1.01804 7.89758 -30.5319 1.29366 -27.8673 -4.36203 TIMING: 471600 CPU: 1483.83, 0.00315037/step Wall: 1483.83, 0.00315037/step, 3.96281 hours remaining, 234.687500 MB of memory in use. ENERGY: 471600 3974.8932 20470.8074 14524.9901 256.4210 -203412.7190 2570.2328 0.0000 0.0000 51804.6771 -109810.6975 297.7222 -161615.3745 -109455.8597 298.5151 -184.8612 -161.7436 762143.9641 4.7636 4.8110 PRESSURE: 471800 52.9162 64.997 -10.8533 64.9967 432.385 -14.7605 -10.8536 -14.7609 -2.96641 GPRESSURE: 471800 147.329 -6.5922 -36.0686 -14.6099 358.258 44.7223 -1.09226 -115.601 56.8868 PRESSAVG: 471800 -29.698 -6.4088 10.2967 -6.40882 7.23721 -8.62315 10.2966 -8.62311 7.84199 GPRESSAVG: 471800 -26.7876 -8.08887 7.17711 -4.03906 5.74485 -7.60604 11.4169 -8.59039 6.27502 TIMING: 471800 CPU: 1484.46, 0.00316167/step Wall: 1484.46, 0.00316167/step, 3.97686 hours remaining, 234.687500 MB of memory in use. ENERGY: 471800 3996.1373 20405.3446 14505.1349 254.7361 -203377.1535 2470.0917 0.0000 0.0000 51892.6068 -109853.1021 298.2275 -161745.7088 -109493.7344 298.1917 160.7783 187.4914 758462.6833 -4.8729 -4.9226 PRESSURE: 472000 -0.0807912 -54.4586 298.193 -54.4586 -82.0367 63.0422 298.192 63.0422 152.082 GPRESSURE: 472000 29.47 -93.6905 139.929 -125.277 -36.3448 3.07845 263.718 -27.7354 172.147 PRESSAVG: 472000 -24.6829 33.4631 33.325 33.4631 33.6749 24.8016 33.3249 24.8016 4.71521 GPRESSAVG: 472000 -25.6452 31.2659 34.7664 34.043 33.1325 23.3612 29.5246 26.6107 6.18768 TIMING: 472000 CPU: 1485.1, 0.00318543/step Wall: 1485.1, 0.00318543/step, 4.00656 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: 472000 3923.7776 20508.2810 14550.4812 238.0789 -203986.7714 2985.2555 0.0000 0.0000 51842.7449 -109938.1524 297.9410 -161780.8973 -109571.3443 298.1311 23.3214 55.0908 760980.5465 4.5691 4.5583 PRESSURE: 472200 -39.3191 -115.416 -8.73677 -115.415 -267.461 125.486 -8.73574 125.487 -19.5015 GPRESSURE: 472200 -32.2757 -44.5569 41.6436 -64.1453 -139.405 64.7767 -30.2455 186.975 -32.1234 PRESSAVG: 472200 -35.7873 -7.9347 13.393 -7.93471 49.4184 -11.412 13.393 -11.4119 -0.843807 GPRESSAVG: 472200 -36.9538 -7.28981 12.9105 -9.17456 50.5859 -9.49713 17.5985 -13.3389 -1.30636 TIMING: 472200 CPU: 1485.73, 0.00316471/step Wall: 1485.73, 0.00316471/step, 3.98032 hours remaining, 234.687500 MB of memory in use. ENERGY: 472200 3999.2502 20511.1179 14518.7362 252.7586 -203285.3990 2404.0134 0.0000 0.0000 51950.6978 -109648.8248 298.5614 -161599.5226 -109282.1456 298.4136 -108.7605 -67.9348 761648.5622 4.2624 4.1086 LDB: ============= START OF LOAD BALANCING ============== 1498.19 LDB: ============== END OF LOAD BALANCING =============== 1498.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1498.19 LDB: ============= START OF LOAD BALANCING ============== 1498.5 LDB: Largest compute 7076 load 0.037103 is 19.0% of average load 0.194911 LDB: Average compute 0.004391 is 2.3% of average load 0.194911 LDB: TIME 1498.51 LOAD: AVG 0.194911 MAX 0.21737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 1498.51 LOAD: AVG 0.194911 MAX 0.21737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 1498.51 LOAD: AVG 0.194911 MAX 0.21737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 1498.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1498.51 PRESSURE: 472400 -388.008 25.6897 65.5139 25.6898 194.771 -54.52 65.5148 -54.5188 -16.871 GPRESSURE: 472400 -307.069 -91.1786 124.679 -8.41936 220.713 -19.6239 75.7744 -57.9895 -38.7426 PRESSAVG: 472400 -27.8604 13.4416 -22.3479 13.4415 20.3048 19.8858 -22.3479 19.8859 -10.782 GPRESSAVG: 472400 -28.2503 13.2544 -24.2084 14.5091 20.6533 18.088 -23.6332 20.6873 -10.6074 TIMING: 472400 CPU: 1486.38, 0.00322193/step Wall: 1486.38, 0.00322193/step, 4.05211 hours remaining, 234.484375 MB of memory in use. ENERGY: 472400 3974.2460 20394.8666 14499.1239 235.8846 -203436.9608 2704.4627 0.0000 0.0000 51966.8344 -109661.5426 298.6541 -161628.3770 -109298.6007 298.6972 -70.0360 -41.6994 762528.7203 -6.1126 -6.0681 PRESSURE: 472600 74.9362 95.6615 -18.376 95.6619 -105.552 25.5705 -18.3768 25.5711 155.662 GPRESSURE: 472600 101.06 72.8774 -6.58135 -2.54206 -46.41 39.0863 29.5928 54.0862 128.71 PRESSAVG: 472600 -9.38005 -18.9249 88.6282 -18.9249 2.86513 -7.26639 88.6281 -7.26636 13.4045 GPRESSAVG: 472600 -7.46392 -18.5991 88.2656 -20.5279 2.19365 -6.95744 90.5106 -7.38405 11.7647 TIMING: 472600 CPU: 1487.01, 0.00317656/step Wall: 1487.01, 0.00317656/step, 3.99487 hours remaining, 234.687500 MB of memory in use. ENERGY: 472600 4023.7246 20566.5306 14476.5595 246.5694 -203752.8569 2825.0404 0.0000 0.0000 52081.9397 -109532.4928 299.3156 -161614.4325 -109174.7370 299.0802 41.6821 61.1200 761032.6079 2.2965 2.1648 PRESSURE: 472800 -299.961 259.354 16.5406 259.353 60.7011 34.6919 16.5406 34.6914 339.736 GPRESSURE: 472800 -305.798 116.498 34.6447 308.273 119.208 66.7375 -86.0425 31.0267 381.336 PRESSAVG: 472800 -0.286275 -12.9232 19.8727 -12.9232 51.8632 -15.3606 19.8727 -15.3606 2.31487 GPRESSAVG: 472800 -1.24887 -12.7606 21.9803 -11.9982 51.3809 -14.3308 16.6644 -15.884 3.94651 TIMING: 472800 CPU: 1487.64, 0.00313994/step Wall: 1487.64, 0.00313994/step, 3.94865 hours remaining, 234.687500 MB of memory in use. ENERGY: 472800 3924.0099 20602.6626 14564.1688 240.8765 -203418.6268 2662.9543 0.0000 0.0000 51858.6193 -109565.3353 298.0322 -161423.9546 -109202.7059 298.7744 33.4921 64.9154 762072.0203 17.9639 18.0262 PRESSURE: 473000 -77.6135 -100.981 -120.256 -100.982 -304.702 159.361 -120.256 159.361 110.534 GPRESSURE: 473000 -89.0466 -52.6875 -141.411 -10.5652 -229.853 192.082 -35.7145 143.089 120.052 PRESSAVG: 473000 -45.2446 -44.0153 -18.6079 -44.0153 24.6951 -26.6803 -18.6079 -26.6803 16.3998 GPRESSAVG: 473000 -44.9883 -45.3112 -18.2427 -43.9142 25.3293 -25.6281 -15.9894 -25.9712 15.7328 TIMING: 473000 CPU: 1488.27, 0.00314805/step Wall: 1488.27, 0.00314805/step, 3.95868 hours remaining, 234.687500 MB of memory in use. ENERGY: 473000 3974.2586 20580.9706 14465.7225 237.4288 -203371.8708 2335.1762 0.0000 0.0000 52276.0790 -109502.2350 300.4313 -161778.3140 -109135.7554 298.8433 -90.5937 -66.2826 760888.7600 -1.3832 -1.3087 PRESSURE: 473200 293.662 -105.639 -28.0908 -105.639 274.934 -203.553 -28.0906 -203.551 101.357 GPRESSURE: 473200 361.449 -60.134 -16.2816 -111.75 270.546 -217.803 82.4392 -194.751 105.572 PRESSAVG: 473200 32.4092 -33.9732 39.2078 -33.9733 -34.1422 -10.8514 39.2078 -10.8513 3.32802 GPRESSAVG: 473200 32.2463 -31.8346 38.4684 -36.5478 -33.4864 -9.91619 39.8376 -11.1342 3.45646 TIMING: 473200 CPU: 1488.9, 0.00312854/step Wall: 1488.9, 0.00312854/step, 3.93396 hours remaining, 234.687500 MB of memory in use. ENERGY: 473200 3985.6636 20526.9604 14495.5527 262.9078 -203610.9044 3042.1879 0.0000 0.0000 52056.3838 -109241.2482 299.1688 -161297.6320 -108879.5317 298.6887 223.3179 245.8556 761118.0208 0.5317 0.7388 PRESSURE: 473400 -150.504 1.16703 100.407 1.1671 -40.2076 -208.814 100.406 -208.814 142.932 GPRESSURE: 473400 -96.5028 -7.22146 59.6382 64.0434 -1.13246 -69.8281 120.817 -108.097 120.189 PRESSAVG: 473400 -37.9702 -39.6383 18.4844 -39.6383 15.216 -3.74501 18.4844 -3.74509 -38.1484 GPRESSAVG: 473400 -38.3004 -41.5902 18.5978 -35.9503 15.6795 -5.0402 17.817 -3.60717 -38.7005 TIMING: 473400 CPU: 1489.53, 0.00314143/step Wall: 1489.53, 0.00314143/step, 3.95 hours remaining, 234.687500 MB of memory in use. ENERGY: 473400 4004.5544 20704.5310 14521.5761 242.8706 -203040.7920 2338.5962 0.0000 0.0000 51963.7580 -109264.9058 298.6364 -161228.6638 -108912.0650 299.1660 -15.9266 7.5179 763250.7278 -20.3009 -20.4404 PRESSURE: 473600 133.601 126.682 -102.115 126.682 43.4498 208.639 -102.114 208.639 -426.767 GPRESSURE: 473600 167.731 155.706 -19.6847 241.919 103.586 118.357 -194.033 210.197 -441.318 PRESSAVG: 473600 59.6286 -4.17369 34.2879 -4.17364 -33.2126 66.7101 34.2879 66.7101 18.0638 GPRESSAVG: 473600 59.2289 -4.62354 34.3814 -5.75335 -33.6839 67.156 31.9551 66.9385 18.4834 TIMING: 473600 CPU: 1490.15, 0.00314699/step Wall: 1490.15, 0.00314699/step, 3.95681 hours remaining, 234.687500 MB of memory in use. ENERGY: 473600 4016.2521 20546.9835 14568.0065 263.3853 -203510.7408 2630.9768 0.0000 0.0000 52009.4467 -109475.6900 298.8990 -161485.1367 -109104.3330 298.9413 -83.2389 -56.6670 761825.2575 14.8266 14.6761 PRESSURE: 473800 -191.439 -37.0392 5.61779 -37.0401 -118.787 46.5178 5.61831 46.5187 -69.0762 GPRESSURE: 473800 -95.6667 20.479 24.9875 -118.467 -91.4319 29.5517 163.16 0.47009 -100.937 PRESSAVG: 473800 69.0788 -7.44527 -51.6036 -7.44528 -71.136 72.039 -51.6036 72.0389 21.8137 GPRESSAVG: 473800 69.2073 -6.51838 -51.7712 -6.47995 -70.8173 72.1078 -50.5064 71.0021 21.1451 TIMING: 473800 CPU: 1490.78, 0.00314334/step Wall: 1490.78, 0.00314334/step, 3.95205 hours remaining, 234.687500 MB of memory in use. ENERGY: 473800 3971.6741 20650.0612 14533.8624 254.7774 -203342.0182 2281.4651 0.0000 0.0000 52112.4678 -109537.7103 299.4911 -161650.1781 -109181.4286 299.0694 -126.4340 -96.0120 760548.1500 6.5855 6.5117 PRESSURE: 474000 45.8266 38.4112 237.316 38.411 -8.5516 -58.1327 237.316 -58.1327 -96.1429 GPRESSURE: 474000 128.642 87.1756 341.42 -62.8756 -60.9908 -71.4326 113.349 22.824 -28.0891 PRESSAVG: 474000 39.0912 -4.97155 -9.17151 -4.97154 -50.2008 35.8383 -9.17154 35.8383 15.6495 GPRESSAVG: 474000 39.1576 -5.01281 -8.88716 -5.75617 -51.3953 33.866 -10.7267 37.0954 17.2434 TIMING: 474000 CPU: 1491.41, 0.00313417/step Wall: 1491.41, 0.00313417/step, 3.94034 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: 474000 4007.2389 20531.4983 14487.1748 249.2944 -203258.4743 2490.4487 0.0000 0.0000 51707.2077 -109785.6115 297.1620 -161492.8192 -109429.6490 298.3685 -19.6226 13.1872 760048.8399 1.5133 1.6686 PRESSURE: 474200 65.644 -194.467 184.785 -194.467 -272.967 108.717 184.785 108.717 -113.797 GPRESSURE: 474200 40.1449 -189.688 274.247 -255.536 -100.35 132.661 140.579 232.628 -173.584 PRESSAVG: 474200 71.3294 -58.0754 17.7248 -58.0754 -43.1638 34.9904 17.7248 34.9905 0.383966 GPRESSAVG: 474200 71.0083 -58.1813 15.9947 -59.1855 -43.4036 36.8817 19.9244 35.3543 0.383448 TIMING: 474200 CPU: 1492.04, 0.00314023/step Wall: 1492.04, 0.00314023/step, 3.94779 hours remaining, 234.687500 MB of memory in use. ENERGY: 474200 3973.8256 20540.6095 14513.6544 250.8970 -203544.0263 2594.7552 0.0000 0.0000 52063.6749 -109606.6096 299.2107 -161670.2845 -109251.6023 298.4589 -107.0402 -77.9297 762431.6780 9.5165 9.3294 PRESSURE: 474400 -58.8084 22.4879 84.3531 22.4876 8.28985 -85.3957 84.3528 -85.3964 178.225 GPRESSURE: 474400 -41.4137 25.8615 112.683 41.5475 14.8324 -82.0894 107.766 -6.95111 225.266 PRESSAVG: 474400 -29.1409 -54.2145 -27.0764 -54.2146 38.4725 39.9325 -27.0764 39.9325 -19.2815 GPRESSAVG: 474400 -29.5177 -53.7283 -24.4797 -54.9592 38.7979 39.831 -27.1605 39.233 -19.3288 TIMING: 474400 CPU: 1492.67, 0.00314978/step Wall: 1492.67, 0.00314978/step, 3.95963 hours remaining, 234.687500 MB of memory in use. ENERGY: 474400 3940.3321 20685.9494 14526.2011 253.4904 -203187.4234 2620.0908 0.0000 0.0000 51662.6666 -109498.6931 296.9061 -161161.3597 -109150.6354 298.7531 42.5689 66.2282 763372.0367 -3.3166 -3.3495 PRESSURE: 474600 -81.7899 -52.5742 121.64 -52.5742 -140.345 130.553 121.641 130.553 -36.4576 GPRESSURE: 474600 -40.7149 -116.529 125.279 -53.8002 -79.8006 117.136 100.978 163.806 -48.6509 PRESSAVG: 474600 12.7011 -17.2292 16.9521 -17.2291 -11.2682 32.7956 16.952 32.7956 20.9882 GPRESSAVG: 474600 13.3671 -19.2429 16.2374 -13.9396 -10.8853 33.0889 14.8577 32.8767 20.2608 TIMING: 474600 CPU: 1493.3, 0.00316208/step Wall: 1493.3, 0.00316208/step, 3.97491 hours remaining, 234.687500 MB of memory in use. ENERGY: 474600 4052.3472 20299.9307 14543.7624 262.3225 -202946.9708 2464.4991 0.0000 0.0000 51954.7641 -109369.3450 298.5847 -161324.1091 -108999.6396 298.8689 -86.1974 -56.3888 762458.0831 7.4737 7.5809 PRESSURE: 474800 3.73092 -11.5662 -36.4107 -11.5648 -265.607 57.6339 -36.4105 57.6344 249.124 GPRESSURE: 474800 -34.297 -66.5852 -85.0454 46.1232 -108.514 23.873 7.36095 13.9517 205.453 PRESSAVG: 474800 44.0779 30.2703 44.1378 30.2703 -57.3294 -23.3379 44.1378 -23.3378 3.1902 GPRESSAVG: 474800 44.2113 31.8394 44.0826 30.6779 -56.9853 -25.266 45.8732 -24.2325 2.58571 TIMING: 474800 CPU: 1493.93, 0.0031637/step Wall: 1493.93, 0.0031637/step, 3.97677 hours remaining, 234.687500 MB of memory in use. ENERGY: 474800 3916.5468 20431.7932 14478.2718 240.0259 -203163.5412 2614.0676 0.0000 0.0000 52069.7129 -109413.1231 299.2454 -161482.8360 -109042.7393 298.9334 -4.2506 20.8806 762695.9431 -3.3538 -3.3961 PRESSURE: 475000 -134.784 135.175 13.3638 135.175 -36.5948 195.011 13.3643 195.011 289.882 GPRESSURE: 475000 -125.022 117.961 21.0194 198.973 6.02478 183.057 -116.367 60.2438 324.937 PRESSAVG: 475000 36.3625 -34.2648 -38.4669 -34.2647 -53.1469 36.6584 -38.4669 36.6585 11.6771 GPRESSAVG: 475000 36.8551 -33.9444 -38.0426 -36.3863 -53.8362 39.306 -39.6721 35.6643 11.7308 TIMING: 475000 CPU: 1494.56, 0.00313698/step Wall: 1494.56, 0.00313698/step, 3.94301 hours remaining, 234.687500 MB of memory in use. ENERGY: 475000 3932.8408 20470.4288 14427.5270 268.3860 -203249.0056 2967.0987 0.0000 0.0000 52047.8479 -109134.8764 299.1197 -161182.7243 -108776.9613 299.6233 39.5011 68.6466 762494.4623 -1.7024 -1.7501 PRESSURE: 475200 334.84 -45.6885 76.2988 -45.688 159.222 -156.278 76.2975 -156.279 216.608 GPRESSURE: 475200 321.024 6.52776 103.52 -44.7127 174.114 -105.26 44.1868 -260.413 291.527 PRESSAVG: 475200 67.7565 -20.7001 5.89475 -20.7001 10.9884 49.1094 5.89466 49.1095 -15.0909 GPRESSAVG: 475200 65.7967 -20.6602 6.59926 -20.415 13.1644 46.54 3.56036 50.4226 -14.3937 TIMING: 475200 CPU: 1495.19, 0.00314112/step Wall: 1495.19, 0.00314112/step, 3.94804 hours remaining, 234.687500 MB of memory in use. ENERGY: 475200 3973.3748 20664.2438 14449.9307 262.5301 -203154.4091 2694.0884 0.0000 0.0000 52076.7776 -109033.4638 299.2860 -161110.2414 -108677.4311 300.0065 236.8902 262.2215 760359.6449 21.2180 21.5225 PRESSURE: 475400 152.412 77.1922 -234.623 77.192 -17.6575 -88.8894 -234.624 -88.8895 -21.8258 GPRESSURE: 475400 234.596 130.313 -321.57 23.2849 28.8923 -79.818 -237.505 -13.2862 -66.3809 PRESSAVG: 475400 58.2632 3.06706 28.1736 3.06712 -27.0084 -29.0484 28.1735 -29.0484 17.0815 GPRESSAVG: 475400 58.8316 3.02392 25.4047 3.36792 -27.7832 -27.097 33.2874 -28.638 16.5747 TIMING: 475400 CPU: 1495.82, 0.00314666/step Wall: 1495.82, 0.00314666/step, 3.95483 hours remaining, 234.687500 MB of memory in use. ENERGY: 475400 4017.2111 20508.4947 14436.3162 245.8424 -203226.2579 2773.3656 0.0000 0.0000 52218.6712 -109026.3566 300.1014 -161245.0278 -108669.0695 299.8999 37.6429 65.7026 762619.6483 16.1121 15.8744 PRESSURE: 475600 -119.627 -40.8141 -52.4469 -40.8143 143.017 -82.5139 -52.4476 -82.514 -290.678 GPRESSURE: 475600 -27.0899 -23.3457 82.8279 -131.006 190.226 -35.4834 -61.4564 -27.7193 -342.691 PRESSAVG: 475600 80.8313 -21.7235 -22.7452 -21.7234 -57.409 12.0504 -22.7452 12.0504 -0.0617746 GPRESSAVG: 475600 80.0311 -22.7664 -20.2516 -22.6929 -56.9263 12.3771 -24.0769 13.923 0.438764 TIMING: 475600 CPU: 1496.44, 0.00313401/step Wall: 1496.44, 0.00313401/step, 3.93876 hours remaining, 234.687500 MB of memory in use. ENERGY: 475600 4050.0991 20663.7127 14403.7468 256.4632 -202924.0567 2530.0312 0.0000 0.0000 52079.2481 -108940.7555 299.3002 -161020.0036 -108583.6475 300.0050 -89.0957 -59.8515 762295.0999 7.7868 7.8478 PRESSURE: 475800 34.9682 -10.7392 123.953 -10.7396 -20.5114 -58.3242 123.953 -58.3253 103.54 GPRESSURE: 475800 84.0646 -107.68 195.718 -44.0861 50.6259 -93.6987 119.441 -75.7466 68.1689 PRESSAVG: 475800 18.8999 -21.2454 -19.4149 -21.2454 3.04238 57.5593 -19.4149 57.5593 -2.44225 GPRESSAVG: 475800 19.9582 -21.1715 -19.2663 -20.7594 1.62606 57.2061 -19.5531 56.2042 -1.38504 TIMING: 475800 CPU: 1497.07, 0.00313708/step Wall: 1497.07, 0.00313708/step, 3.94244 hours remaining, 234.687500 MB of memory in use. ENERGY: 475800 3989.4592 20628.6833 14477.1597 252.5561 -203415.1501 2904.7889 0.0000 0.0000 52191.4511 -108971.0518 299.9450 -161162.5029 -108615.1014 299.4953 39.3322 67.6198 760561.1280 6.5000 6.7331 PRESSURE: 476000 -12.0718 77.612 43.0283 77.6118 -304.556 184.344 43.0283 184.344 -55.6655 GPRESSURE: 476000 60.9939 58.255 44.0496 110.582 -253.192 175.032 49.382 14.5739 -93.1916 PRESSAVG: 476000 -5.6015 -32.2273 -26.3679 -32.2273 -4.1522 -12.298 -26.3679 -12.2981 -0.869848 GPRESSAVG: 476000 -4.8945 -31.2143 -27.3682 -30.6357 -3.61156 -13.1953 -25.7288 -12.8729 -2.59823 TIMING: 476000 CPU: 1497.7, 0.00312666/step Wall: 1497.7, 0.00312666/step, 3.92917 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: 476000 4039.3733 20412.6371 14528.6488 240.5299 -202945.6688 2565.7433 0.0000 0.0000 52294.1480 -108864.5882 300.5352 -161158.7363 -108495.8433 299.7146 -124.0976 -95.1298 762052.0634 -3.5412 -3.7014 PRESSURE: 476200 -44.5628 -90.8311 -134.667 -90.8306 50.0505 188.14 -134.668 188.141 219.923 GPRESSURE: 476200 14.4336 -201.697 -117.811 -7.59037 54.8038 220.431 -165.553 168.4 235.44 PRESSAVG: 476200 17.2964 -55.6478 35.7165 -55.6477 -37.612 24.5979 35.7165 24.598 -3.35814 GPRESSAVG: 476200 16.823 -56.3308 34.9672 -57.6397 -38.8488 24.216 34.473 23.6769 -2.19891 TIMING: 476200 CPU: 1498.32, 0.00313153/step Wall: 1498.32, 0.00313153/step, 3.93512 hours remaining, 234.687500 MB of memory in use. ENERGY: 476200 3898.0320 20492.1399 14562.4596 249.7995 -202893.2207 2635.6654 0.0000 0.0000 52188.3412 -108866.7832 299.9271 -161055.1244 -108513.2953 300.1853 75.1367 101.5592 763076.7462 -7.8912 -8.0749 LDB: ============= START OF LOAD BALANCING ============== 1510.78 LDB: ============== END OF LOAD BALANCING =============== 1510.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1510.78 LDB: ============= START OF LOAD BALANCING ============== 1511.09 LDB: Largest compute 7076 load 0.036243 is 18.6% of average load 0.194989 LDB: Average compute 0.004405 is 2.3% of average load 0.194989 LDB: TIME 1511.1 LOAD: AVG 0.194989 MAX 0.215128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.984 MB LDB: TIME 1511.1 LOAD: AVG 0.194989 MAX 0.215128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.984 MB LDB: TIME 1511.1 LOAD: AVG 0.194989 MAX 0.215128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.984 MB LDB: ============== END OF LOAD BALANCING =============== 1511.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1511.1 PRESSURE: 476400 250.479 -8.30844 -226.463 -8.30841 -155.536 -226.381 -226.464 -226.382 38.9964 GPRESSURE: 476400 280.731 -88.4353 -114.723 84.7761 -87.9735 -203.989 -316.799 -166.917 36.1767 PRESSAVG: 476400 49.5888 -68.4272 18.6573 -68.4273 -47.5098 4.2416 18.6573 4.24163 2.70219 GPRESSAVG: 476400 48.4074 -68.3594 20.0938 -67.0194 -46.2431 4.43844 18.772 5.69469 2.61345 TIMING: 476400 CPU: 1498.97, 0.00321252/step Wall: 1498.97, 0.00321252/step, 4.03671 hours remaining, 234.984375 MB of memory in use. ENERGY: 476400 3994.3864 20564.4643 14538.1873 250.4608 -203478.6063 2889.9145 0.0000 0.0000 52209.3346 -109031.8585 300.0478 -161241.1931 -108666.7788 300.1077 44.6466 76.3113 761921.1588 1.5937 1.5926 PRESSURE: 476600 107.621 50.7404 28.2105 50.7406 142.295 17.646 28.2114 17.6469 112.948 GPRESSURE: 476600 163.077 -5.67532 66.9823 24.9311 198.088 51.8722 25.5329 -122.166 91.0674 PRESSAVG: 476600 13.8467 -37.4512 -22.3043 -37.4512 -19.5621 1.35241 -22.3042 1.35235 -22.0007 GPRESSAVG: 476600 12.7713 -37.8286 -22.7051 -37.6513 -19.2582 2.94763 -21.9304 2.16633 -21.5966 TIMING: 476600 CPU: 1499.6, 0.0031539/step Wall: 1499.6, 0.0031539/step, 3.96288 hours remaining, 234.984375 MB of memory in use. ENERGY: 476600 3985.3710 20459.1154 14501.2350 248.2063 -203163.0204 2547.4343 0.0000 0.0000 52380.6193 -109041.0392 301.0321 -161421.6586 -108674.4932 300.2524 120.9546 150.7444 762941.7238 -9.2387 -9.3612 PRESSURE: 476800 69.6637 -131.231 -108.061 -131.23 147.594 17.7518 -108.061 17.7507 -48.1391 GPRESSURE: 476800 27.5407 -106.663 -124.955 -23.9976 169.907 -57.917 -118.735 -65.7957 54.2666 PRESSAVG: 476800 0.156152 -44.3298 44.5291 -44.3298 -54.0262 55.7073 44.5291 55.7072 14.2032 GPRESSAVG: 476800 2.03532 -43.6681 43.6179 -45.4256 -54.812 54.6028 46.2425 53.1184 13.6039 TIMING: 476800 CPU: 1500.23, 0.00314873/step Wall: 1500.23, 0.00314873/step, 3.9562 hours remaining, 235.187500 MB of memory in use. ENERGY: 476800 3979.9666 20621.8943 14512.4300 254.2633 -203039.1889 2605.6044 0.0000 0.0000 51853.6366 -109211.3938 298.0036 -161065.0303 -108852.9662 299.9079 56.3727 83.9049 761468.4012 -13.2223 -13.0576 PRESSURE: 477000 -10.0185 238.934 31.0215 238.933 -104.737 -137.992 31.0214 -137.993 66.6418 GPRESSURE: 477000 -13.8251 75.9941 1.08508 162.42 -0.511946 -67.659 12.6234 -246.693 47.7465 PRESSAVG: 477000 16.5993 -34.298 15.2683 -34.2979 0.288196 -108.466 15.2683 -108.466 -11.8418 GPRESSAVG: 477000 16.0169 -34.8857 15.2636 -32.501 0.516702 -107.17 14.2986 -108.39 -11.5507 TIMING: 477000 CPU: 1500.85, 0.00313697/step Wall: 1500.85, 0.00313697/step, 3.94126 hours remaining, 235.199219 MB of memory in use. ENERGY: 477000 3991.7162 20535.6555 14537.4942 246.3614 -203212.3188 2599.6103 0.0000 0.0000 51976.0140 -109325.4672 298.7069 -161301.4811 -108967.8064 299.2747 -16.0379 11.1365 761814.3249 1.6819 1.6610 PRESSURE: 477200 88.496 54.3957 277.362 54.3951 -89.4944 93.6764 277.362 93.6761 -11.7032 GPRESSURE: 477200 189.226 29.0949 254.248 32.6692 -145.804 65.9844 176.86 -27.3048 40.1161 PRESSAVG: 477200 -15.4766 3.83991 -1.54396 3.8399 -2.70998 -56.6419 -1.54401 -56.6418 35.3394 GPRESSAVG: 477200 -14.9349 3.1278 -1.32767 0.180921 -3.85005 -58.31 -3.01166 -55.5189 35.301 TIMING: 477200 CPU: 1501.48, 0.00314965/step Wall: 1501.48, 0.00314965/step, 3.95701 hours remaining, 235.199219 MB of memory in use. ENERGY: 477200 3970.4139 20506.3696 14625.2871 256.1210 -202888.0848 2376.3790 0.0000 0.0000 51849.0887 -109304.4256 297.9774 -161153.5143 -108951.3615 299.4205 -4.2339 27.8461 760930.0656 5.7176 5.5054 PRESSURE: 477400 -134.482 -113.509 9.31487 -113.509 -362.93 -19.0816 9.31504 -19.0817 -100.419 GPRESSURE: 477400 -137.414 -30.0643 -37.6052 -167.208 -280.624 -37.0496 -6.58323 93.355 -94.4011 PRESSAVG: 477400 22.4089 -33.4097 -11.0967 -33.4097 9.21869 31.8507 -11.0967 31.8507 1.00391 GPRESSAVG: 477400 21.0923 -31.5655 -11.8852 -31.9442 10.1473 31.4896 -10.2946 32.6774 1.3561 TIMING: 477400 CPU: 1502.11, 0.00315206/step Wall: 1502.11, 0.00315206/step, 3.95986 hours remaining, 235.199219 MB of memory in use. ENERGY: 477400 3974.9035 20518.6796 14607.1943 245.1999 -203290.4751 2447.4954 0.0000 0.0000 52362.1565 -109134.8459 300.9260 -161497.0024 -108774.8746 300.0450 -199.2771 -170.8130 760672.7661 10.8772 10.8652 PRESSURE: 477600 -242.061 49.2175 60.6118 49.2179 -10.5864 192.505 60.6121 192.505 -154.125 GPRESSURE: 477600 -283.137 45.6717 152.675 64.8352 -8.26218 235.465 2.59914 268.04 -36.0707 PRESSAVG: 477600 18.0373 -8.03771 101.381 -8.03774 -18.9812 -21.6021 101.381 -21.6021 14.707 GPRESSAVG: 477600 18.0368 -9.67755 102.182 -7.9494 -18.1987 -20.5506 101.973 -20.5314 14.1853 TIMING: 477600 CPU: 1502.75, 0.00315387/step Wall: 1502.75, 0.00315387/step, 3.96196 hours remaining, 235.199219 MB of memory in use. ENERGY: 477600 3983.4888 20596.5208 14547.4326 231.9940 -203530.1131 2722.9288 0.0000 0.0000 52144.7830 -109302.9651 299.6768 -161447.7481 -108944.6249 300.0964 -135.5908 -109.1565 760366.2241 4.5877 4.6745 PRESSURE: 477800 -197.126 -51.7102 129.914 -51.7102 -379.888 236.143 129.914 236.141 -618.486 GPRESSURE: 477800 -148.476 -74.9237 52.5951 -97.4214 -446.611 184.943 186.25 321.316 -520.924 PRESSAVG: 477800 45.1009 -49.7587 -11.482 -49.7586 -11.0123 7.94267 -11.482 7.94257 -8.45094 GPRESSAVG: 477800 46.0887 -49.1266 -11.4619 -50.4921 -13.0174 6.63637 -11.1413 9.40668 -7.45554 TIMING: 477800 CPU: 1503.37, 0.00314208/step Wall: 1503.37, 0.00314208/step, 3.94698 hours remaining, 235.199219 MB of memory in use. ENERGY: 477800 4078.6846 20569.1824 14553.1818 248.5228 -203088.5441 2223.6182 0.0000 0.0000 52375.5290 -109039.8252 301.0029 -161415.3542 -108677.7915 299.7005 -398.4999 -372.0036 762078.8718 8.5459 8.5386 PRESSURE: 478000 -405.377 110.462 28.7307 110.462 134.872 -9.07528 28.7307 -9.0757 -159.885 GPRESSURE: 478000 -280.887 121.54 -15.1447 149.166 137.072 -13.2689 -65.0037 -175.403 -195.67 PRESSAVG: 478000 -14.6371 -16.0354 25.1525 -16.0354 18.0272 -33.8077 25.1525 -33.8077 6.47544 GPRESSAVG: 478000 -15.0605 -15.948 25.4558 -15.0939 19.5827 -33.5683 23.3465 -35.8114 5.20653 TIMING: 478000 CPU: 1504, 0.0031473/step Wall: 1504, 0.0031473/step, 3.95336 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: 478000 3985.3641 20504.7733 14563.0501 253.7044 -203201.7651 2489.2249 0.0000 0.0000 52409.5173 -108996.1310 301.1982 -161405.6484 -108638.1609 300.3567 -143.4631 -113.1618 760705.5652 3.2885 3.2429 PRESSURE: 478200 -316.039 -40.4741 -76.7418 -40.4731 143.34 34.3614 -76.741 34.3613 -148.912 GPRESSURE: 478200 -187.922 66.9234 -76.4208 12.9933 135.478 14.2526 25.4255 -76.3818 -182.25 PRESSAVG: 478200 -38.4491 -34.1724 29.0217 -34.1724 56.9014 3.52173 29.0217 3.52178 -8.12674 GPRESSAVG: 478200 -36.5378 -34.4811 28.4049 -35.0112 54.7724 4.00752 31.5247 3.28912 -8.19149 TIMING: 478200 CPU: 1504.64, 0.00318949/step Wall: 1504.64, 0.00318949/step, 4.00618 hours remaining, 235.199219 MB of memory in use. ENERGY: 478200 3971.0280 20643.8791 14517.8190 246.2184 -203316.5473 2568.4072 0.0000 0.0000 52271.6539 -109097.5416 300.4059 -161369.1955 -108736.1177 300.4074 -107.2038 -78.2313 763201.0358 3.4419 3.3477 PRESSURE: 478400 181.572 -25.6204 -55.6429 -25.62 -76.1018 -115.322 -55.6418 -115.321 -155.72 GPRESSURE: 478400 165.294 -52.3888 -49.2888 -64.607 -25.8425 10.0033 -125.43 -214.704 -127.638 PRESSAVG: 478400 -17.7733 -42.3263 -7.00343 -42.3262 43.034 -20.0845 -7.00336 -20.0846 -8.02554 GPRESSAVG: 478400 -19.3516 -44.5337 -6.49735 -40.9839 44.0639 -20.3241 -5.97362 -20.8683 -7.91101 TIMING: 478400 CPU: 1505.27, 0.00316778/step Wall: 1505.27, 0.00316778/step, 3.97873 hours remaining, 235.199219 MB of memory in use. ENERGY: 478400 4009.9495 20565.4848 14539.6152 243.9906 -203460.6057 2666.9238 0.0000 0.0000 52420.7215 -109013.9204 301.2626 -161434.6419 -108648.6043 300.0721 -16.7501 3.9380 762387.8306 5.7451 5.6004 PRESSURE: 478600 -115.423 -34.9732 282.677 -34.9734 119.031 -120.738 282.677 -120.738 -57.0793 GPRESSURE: 478600 -93.3307 -33.242 188.424 18.8835 160.009 -61.7411 253.388 -145.857 -22.9963 PRESSAVG: 478600 -17.8728 -40.6138 -6.90358 -40.6138 6.76035 -63.2361 -6.90356 -63.2361 16.0326 GPRESSAVG: 478600 -18.6582 -37.395 -6.41749 -40.8574 7.74615 -61.9044 -10.8128 -65.0548 16.7681 TIMING: 478600 CPU: 1505.91, 0.00317872/step Wall: 1505.91, 0.00317872/step, 3.9923 hours remaining, 235.199219 MB of memory in use. ENERGY: 478600 3944.4402 20483.3450 14534.1135 242.6463 -203254.3416 2558.9847 0.0000 0.0000 52189.3729 -109301.4390 299.9330 -161490.8119 -108935.2441 299.9477 -17.8238 14.5607 762283.2266 1.6401 1.9520 PRESSURE: 478800 372.015 -113.552 -111.824 -113.552 284.793 162.77 -111.825 162.77 -265.199 GPRESSURE: 478800 411.266 -81.7829 -116.45 -109.104 260.677 112.568 77.2853 210.051 -201.874 PRESSAVG: 478800 28.9197 -19.1543 21.8505 -19.1543 -4.32304 -15.8353 21.8505 -15.8353 18.6367 GPRESSAVG: 478800 30.6565 -20.081 21.467 -18.558 -5.25356 -16.4771 24.8432 -13.6397 17.7048 TIMING: 478800 CPU: 1506.54, 0.00316405/step Wall: 1506.54, 0.00316405/step, 3.97369 hours remaining, 235.199219 MB of memory in use. ENERGY: 478800 3933.0572 20606.8868 14438.3416 236.3193 -203466.4317 2715.5830 0.0000 0.0000 52290.5602 -109245.6836 300.5146 -161536.2438 -108882.0395 299.7162 130.5363 156.6897 761337.1756 14.4111 14.3692 PRESSURE: 479000 65.4445 91.7436 26.3769 91.7433 -116.807 267.456 26.3771 267.456 149.193 GPRESSURE: 479000 32.6717 87.1796 31.7901 16.0921 -82.6667 248.416 21.4402 102.012 211.333 PRESSAVG: 479000 2.99333 -30.8256 25.5584 -30.8255 23.8206 51.5918 25.5583 51.5917 -9.0636 GPRESSAVG: 479000 1.29421 -32.5256 24.4808 -31.8203 24.829 51.3658 24.2744 50.6331 -8.6734 TIMING: 479000 CPU: 1507.17, 0.00315662/step Wall: 1507.17, 0.00315662/step, 3.96418 hours remaining, 235.199219 MB of memory in use. ENERGY: 479000 4035.8089 20538.2710 14471.9402 243.6238 -202983.4832 2418.8167 0.0000 0.0000 52068.6842 -109206.3384 299.2394 -161275.0226 -108845.9219 299.5691 32.6102 53.7793 762106.4800 5.9168 5.8166 PRESSURE: 479200 -193.058 -78.2367 61.0975 -78.2367 -59.4012 70.852 61.0985 70.8522 222.881 GPRESSURE: 479200 -28.3217 -32.2261 32.7175 -31.0916 -33.4399 41.0259 203.591 72.8307 116.491 PRESSAVG: 479200 19.5066 -67.3187 2.82853 -67.3187 -23.4716 43.226 2.82853 43.226 -12.0311 GPRESSAVG: 479200 20.4502 -64.0132 5.00878 -67.8797 -22.9612 43.3774 4.08051 45.8551 -13.3292 TIMING: 479200 CPU: 1507.81, 0.00316003/step Wall: 1507.81, 0.00316003/step, 3.9683 hours remaining, 235.199219 MB of memory in use. ENERGY: 479200 3968.4809 20580.8274 14474.4490 237.7277 -203072.3326 2306.2891 0.0000 0.0000 52138.5600 -109365.9985 299.6410 -161504.5585 -109004.3510 299.4224 -9.8594 18.2433 761165.0417 -5.3321 -5.2801 PRESSURE: 479400 -152.406 231.727 -150.41 231.727 12.7775 225.909 -150.41 225.909 209.557 GPRESSURE: 479400 -38.7777 247.918 -149.185 124.173 -41.8962 171.171 -194.966 301.566 239.608 PRESSAVG: 479400 -12.1189 -3.46565 13.215 -3.46564 20.8962 -10.5097 13.215 -10.5097 -8.36075 GPRESSAVG: 479400 -11.713 -4.81275 10.4612 -3.09084 20.0619 -9.58148 14.4439 -12.7725 -8.31683 TIMING: 479400 CPU: 1508.43, 0.00314044/step Wall: 1508.43, 0.00314044/step, 3.94352 hours remaining, 235.199219 MB of memory in use. ENERGY: 479400 4031.8806 20352.0714 14424.3623 226.3188 -202906.0465 2511.3957 0.0000 0.0000 52081.4407 -109278.5770 299.3128 -161360.0176 -108912.4959 299.3119 23.3092 52.9781 761154.6102 0.1389 0.0107 PRESSURE: 479600 58.6249 69.1362 -105.153 69.1364 175.971 250.811 -105.153 250.812 -460.976 GPRESSURE: 479600 176.455 -43.7828 -93.745 140.41 154.199 237.898 -90.3974 189.797 -450.148 PRESSAVG: 479600 -4.34067 -32.393 -5.31668 -32.3929 55.8008 32.3724 -5.31667 32.3724 9.56623 GPRESSAVG: 479600 -4.42699 -32.0862 -4.16665 -31.5681 55.0504 30.9862 -4.52638 33.4938 9.69207 TIMING: 479600 CPU: 1509.06, 0.00314477/step Wall: 1509.06, 0.00314477/step, 3.94878 hours remaining, 235.199219 MB of memory in use. ENERGY: 479600 4045.8139 20291.9561 14442.7337 254.2308 -203112.4682 2809.9118 0.0000 0.0000 52019.4034 -109248.4186 298.9562 -161267.8220 -108888.2450 299.3251 -75.4602 -39.8311 759887.0574 20.3421 20.1051 PRESSURE: 479800 269.844 4.73363 40.2951 4.73341 117.936 -18.9649 40.2951 -18.9639 108.527 GPRESSURE: 479800 171.749 -121.535 164.13 -87.8803 275.417 -123.775 67.6853 -44.4387 147.697 PRESSAVG: 479800 -34.0152 4.99793 5.39529 4.99791 -9.86216 34.3638 5.39527 34.3638 13.6212 GPRESSAVG: 479800 -34.5573 2.87022 6.04032 3.52336 -9.07545 33.9169 3.01879 33.7853 13.3277 TIMING: 479800 CPU: 1509.69, 0.00313742/step Wall: 1509.69, 0.00313742/step, 3.93938 hours remaining, 235.199219 MB of memory in use. ENERGY: 479800 3935.1352 20381.9710 14465.3941 237.0013 -202952.6111 2381.6376 0.0000 0.0000 52171.3561 -109380.1158 299.8295 -161551.4719 -109020.4454 299.3566 165.4357 198.2881 760622.9294 -10.0854 -10.1017 PRESSURE: 480000 -450.616 -25.7292 58.2419 -25.7297 -110.228 195.685 58.2417 195.684 370.63 GPRESSURE: 480000 -425.955 -7.73918 126.719 118.712 8.72871 169.735 -33.4995 229.216 313.956 PRESSAVG: 480000 0.386322 -34.7115 -32.2 -34.7115 -15.0818 15.7959 -32.2 15.7958 -10.7291 GPRESSAVG: 480000 -0.277666 -33.5391 -33.032 -32.7062 -14.9206 16.6907 -32.93 13.7845 -10.7986 TIMING: 480000 CPU: 1510.32, 0.00314205/step Wall: 1510.32, 0.00314205/step, 3.94501 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: 480000 3891.8179 20519.2040 14449.3345 234.2442 -202862.7660 2666.7625 0.0000 0.0000 51691.7358 -109409.6673 297.0731 -161101.4030 -109044.1824 298.9345 -63.4050 -34.4233 761933.6089 -8.4749 -8.6656 PRESSURE: 480200 -49.5369 -274.58 176.733 -274.579 -438.097 -32.5645 176.733 -32.5653 -328.507 GPRESSURE: 480200 -9.50907 -163.076 183.368 -179.449 -425.113 23.3615 182.495 -60.2175 -289.874 PRESSAVG: 480200 -2.68681 -41.9894 22.211 -41.9893 5.11874 -2.27356 22.2111 -2.27357 -15.0117 GPRESSAVG: 480200 -2.64651 -39.8421 21.4293 -43.1204 5.29571 -2.77798 20.1375 -0.158363 -15.4251 TIMING: 480200 CPU: 1510.96, 0.00317964/step Wall: 1510.96, 0.00317964/step, 3.99204 hours remaining, 235.199219 MB of memory in use. ENERGY: 480200 4044.5568 20469.3182 14450.0055 240.4425 -202991.4982 2472.0977 0.0000 0.0000 51923.6648 -109391.4127 298.4060 -161315.0775 -109035.1231 298.9583 -272.0469 -241.4987 763677.0163 -4.1933 -4.2586 LDB: ============= START OF LOAD BALANCING ============== 1523.41 LDB: ============== END OF LOAD BALANCING =============== 1523.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1523.41 LDB: ============= START OF LOAD BALANCING ============== 1523.73 LDB: Largest compute 7076 load 0.035618 is 18.3% of average load 0.194935 LDB: Average compute 0.004422 is 2.3% of average load 0.194935 LDB: TIME 1523.73 LOAD: AVG 0.194935 MAX 0.215072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.969 MB LDB: TIME 1523.73 LOAD: AVG 0.194935 MAX 0.215072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.035 MB LDB: TIME 1523.73 LOAD: AVG 0.194935 MAX 0.215072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.035 MB LDB: ============== END OF LOAD BALANCING =============== 1523.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1523.74 PRESSURE: 480400 -355.092 -41.2515 -159.573 -41.2514 -301.472 0.0935217 -159.572 0.0935642 141.714 GPRESSURE: 480400 -274.886 -28.0879 -60.4124 36.6702 -292.548 49.9892 -211.696 -12.145 141.05 PRESSAVG: 480400 -4.14451 13.3779 53.0437 13.3778 -29.9687 -41.3328 53.0436 -41.3329 12.2535 GPRESSAVG: 480400 -2.5511 11.6665 54.7066 14.7482 -31.9858 -39.4025 54.701 -43.5038 12.8855 TIMING: 480400 CPU: 1511.6, 0.00323399/step Wall: 1511.6, 0.00323399/step, 4.06009 hours remaining, 235.507812 MB of memory in use. ENERGY: 480400 3908.1359 20391.0286 14443.7446 240.2450 -203057.6322 2443.4793 0.0000 0.0000 52081.3569 -109549.6418 299.3123 -161630.9988 -109181.6207 298.9655 -171.6165 -142.1281 762437.9800 -7.2866 -7.2171 PRESSURE: 480600 107.188 -40.7334 -35.7921 -40.7332 97.405 -127.614 -35.7929 -127.615 106.732 GPRESSURE: 480600 175.557 -84.5937 -60.3975 24.494 158.287 -103.326 53.775 20.9774 53.3779 PRESSAVG: 480600 0.160384 14.2667 18.9375 14.2667 -8.94383 -48.716 18.9375 -48.716 33.5974 GPRESSAVG: 480600 -2.34574 14.0171 16.9144 13.1819 -6.91293 -49.2905 19.0771 -48.4329 33.806 TIMING: 480600 CPU: 1512.23, 0.00315055/step Wall: 1512.23, 0.00315055/step, 3.95516 hours remaining, 235.972656 MB of memory in use. ENERGY: 480600 3948.6831 20299.1540 14586.1640 234.2234 -203023.7353 2531.1293 0.0000 0.0000 51768.8028 -109655.5787 297.5160 -161424.3815 -109301.1449 298.1883 103.7747 129.0739 760807.5999 8.2713 8.1824 PRESSURE: 480800 -217.699 21.9983 104.058 21.9989 72.8266 -156.575 104.058 -156.574 364.712 GPRESSURE: 480800 -148.603 -56.9185 100.173 91.6311 124.361 -132.875 111.56 -233.357 342.237 PRESSAVG: 480800 -12.7604 30.8711 23.7487 30.871 7.01851 -29.3755 23.7486 -29.3755 8.84045 GPRESSAVG: 480800 -11.3874 31.246 24.874 31.2152 5.13769 -29.4934 25.038 -29.3517 8.89534 TIMING: 480800 CPU: 1512.86, 0.00315266/step Wall: 1512.86, 0.00315266/step, 3.95764 hours remaining, 235.972656 MB of memory in use. ENERGY: 480800 3858.7698 20416.6906 14494.5179 249.1028 -203372.8654 2623.9924 0.0000 0.0000 52048.3985 -109681.3934 299.1229 -161729.7919 -109320.2570 298.9112 73.2800 105.9983 761595.0659 1.0328 0.8819 PRESSURE: 481000 84.3653 156.441 103.269 156.44 -155.95 48.6031 103.269 48.602 -38.0994 GPRESSURE: 481000 115.155 190.81 134.537 74.5972 -75.6736 71.9561 34.9247 67.8004 -56.3822 PRESSAVG: 481000 20.3617 18.2229 65.7617 18.2228 -35.7849 5.3388 65.7617 5.33883 12.7018 GPRESSAVG: 481000 20.4586 19.5018 65.0761 15.8397 -35.7279 4.67002 63.3284 5.13538 12.7872 TIMING: 481000 CPU: 1513.5, 0.00316076/step Wall: 1513.5, 0.00316076/step, 3.96763 hours remaining, 235.972656 MB of memory in use. ENERGY: 481000 3907.6431 20317.1835 14520.5375 231.5580 -203088.7833 2500.0013 0.0000 0.0000 51973.2082 -109638.6518 298.6907 -161611.8600 -109275.4035 298.5636 -36.5613 -5.6336 762340.5093 -0.9071 -0.8274 PRESSURE: 481200 397.188 -113.815 -48.6324 -113.816 -85.4737 264.153 -48.6325 264.152 17.6052 GPRESSURE: 481200 448.347 -58.3112 -53.3565 -87.8255 -57.2305 233.632 1.09623 303.296 12.8501 PRESSAVG: 481200 38.8123 10.2083 52.7581 10.2084 -60.4103 3.42129 52.7581 3.42132 -17.2207 GPRESSAVG: 481200 39.0763 8.08786 53.5879 12.6412 -60.2517 5.33899 53.9289 2.9724 -17.292 TIMING: 481200 CPU: 1514.13, 0.00317772/step Wall: 1514.13, 0.00317772/step, 3.98875 hours remaining, 235.972656 MB of memory in use. ENERGY: 481200 3872.4039 20489.8762 14456.9842 240.3559 -203173.8989 2391.7846 0.0000 0.0000 52294.7604 -109427.7336 300.5387 -161722.4941 -109062.0119 298.4624 109.7730 134.6556 761413.3272 -12.9395 -12.8225 PRESSURE: 481400 138.539 -124.256 118.494 -124.255 -219.838 96.0206 118.495 96.0211 367.436 GPRESSURE: 481400 118.669 -120.107 72.5326 -192.429 -105.024 141.703 80.4989 60.9777 350.206 PRESSAVG: 481400 75.5336 -5.75082 -36.795 -5.75083 -86.4015 24.1891 -36.795 24.1891 -16.1154 GPRESSAVG: 481400 75.4172 -3.99994 -37.2105 -6.69602 -86.4434 22.9153 -34.4573 24.7339 -15.9225 TIMING: 481400 CPU: 1514.76, 0.00316704/step Wall: 1514.76, 0.00316704/step, 3.97516 hours remaining, 235.972656 MB of memory in use. ENERGY: 481400 3991.6793 20526.5856 14583.3881 242.0698 -203084.7957 2516.7505 0.0000 0.0000 51818.5282 -109405.7941 297.8018 -161224.3223 -109051.9642 299.1641 95.3790 121.2836 760872.5229 -8.9944 -8.9829 PRESSURE: 481600 220.846 25.9954 140.954 25.9955 -174.453 -48.0065 140.954 -48.0069 -40.5747 GPRESSURE: 481600 202.648 -117.922 144.878 58.6685 -85.6332 -92.0076 89.2763 45.8049 -22.6397 PRESSAVG: 481600 10.5489 -8.83517 12.6443 -8.83516 -33.4084 -26.5397 12.6443 -26.5397 0.919555 GPRESSAVG: 481600 10.3298 -10.3033 13.7899 -8.1914 -33.1917 -26.3542 11.3477 -26.563 1.15475 TIMING: 481600 CPU: 1515.4, 0.0031571/step Wall: 1515.4, 0.0031571/step, 3.96251 hours remaining, 235.972656 MB of memory in use. ENERGY: 481600 3865.9691 20408.2113 14538.2229 250.7343 -202956.6228 2383.5884 0.0000 0.0000 52117.5368 -109392.3600 299.5202 -161509.8968 -109030.7885 299.1958 1.9397 31.4585 762111.1267 -7.3133 -7.2357 PRESSURE: 481800 -75.6698 -0.870678 110.304 -0.870754 -96.7515 52.9487 110.304 52.9492 -254.612 GPRESSURE: 481800 -14.2311 29.8916 98.8838 -7.55481 -100.253 65.5397 -6.91296 104.526 -224.271 PRESSAVG: 481800 8.37238 44.1247 51.728 44.1247 -87.1459 1.29865 51.728 1.29862 3.73556 GPRESSAVG: 481800 8.3227 45.2189 51.6185 44.5704 -88.0873 -0.505948 52.2914 3.75091 4.17607 TIMING: 481800 CPU: 1516.03, 0.00317242/step Wall: 1516.03, 0.00317242/step, 3.98157 hours remaining, 235.972656 MB of memory in use. ENERGY: 481800 3991.5633 20263.9075 14536.1303 222.8458 -202872.5131 2410.1905 0.0000 0.0000 51917.5283 -109530.3476 298.3707 -161447.8758 -109163.5734 298.8895 -142.3443 -112.9185 762398.5104 -25.0127 -25.1962 PRESSURE: 482000 21.1363 -41.4264 17.6559 -41.4269 237.683 -74.9897 17.6558 -74.991 300.778 GPRESSURE: 482000 148.54 -13.5932 -62.5229 -32.3021 222.586 -22.6538 -82.9548 -162.762 271.315 PRESSAVG: 482000 35.1054 58.1175 51.2176 58.1175 -16.5052 -36.0162 51.2177 -36.0163 31.9613 GPRESSAVG: 482000 36.1412 57.992 50.5133 57.6524 -15.4828 -34.8951 50.3207 -37.1621 30.0857 TIMING: 482000 CPU: 1516.66, 0.00314609/step Wall: 1516.66, 0.00314609/step, 3.94835 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: 482000 4001.8582 20410.5179 14450.4080 234.9156 -203106.4621 2558.2439 0.0000 0.0000 52126.3429 -109324.1755 299.5708 -161450.5185 -108964.0550 299.1083 186.5323 214.1470 762599.9102 16.8538 16.9147 PRESSURE: 482200 -111.46 267.758 -155.382 267.759 70.5302 -168.167 -155.382 -168.167 51.5257 GPRESSURE: 482200 -117.769 297.325 -165.661 155.239 101.41 -166.797 -49.251 -114.811 120.748 PRESSAVG: 482200 -68.2595 39.7396 -2.56012 39.7396 -9.27569 -3.32235 -2.56013 -3.32237 18.0626 GPRESSAVG: 482200 -67.6815 37.0375 -1.65475 40.0376 -9.99284 -3.70696 -1.21816 -2.20955 18.6067 TIMING: 482200 CPU: 1517.29, 0.00314095/step Wall: 1517.29, 0.00314095/step, 3.94172 hours remaining, 236.207031 MB of memory in use. ENERGY: 482200 4025.7792 20577.7395 14425.2853 259.1583 -202888.9628 2476.4636 0.0000 0.0000 51905.1578 -109219.3791 298.2997 -161124.5369 -108861.8392 298.6479 3.5318 34.7962 762287.8243 -19.8242 -19.6892 PRESSURE: 482400 -5.12888 -95.5643 -336.152 -95.5642 -261.529 -27.9002 -336.152 -27.9014 -503.763 GPRESSURE: 482400 -52.8381 -168.848 -329.167 -68.7057 -217.968 -65.7166 -287.94 32.4553 -421.516 PRESSAVG: 482400 -6.4665 3.77231 -37.6465 3.77232 2.50874 -20.9839 -37.6466 -20.9839 0.107859 GPRESSAVG: 482400 -6.46706 6.76052 -38.0274 0.988444 1.14854 -20.2126 -38.5735 -22.8567 0.864185 TIMING: 482400 CPU: 1517.92, 0.00315168/step Wall: 1517.92, 0.00315168/step, 3.95501 hours remaining, 236.207031 MB of memory in use. ENERGY: 482400 3896.6470 20375.8862 14521.3790 236.6131 -202552.2207 2043.1014 0.0000 0.0000 52260.6065 -109217.9874 300.3424 -161478.5939 -108851.0733 299.5476 -256.8071 -230.7739 762782.7489 -1.2833 -1.4848 PRESSURE: 482600 124.612 -3.68814 54.5502 -3.68861 249.637 122.305 54.5505 122.306 77.6185 GPRESSURE: 482600 206.937 2.24765 22.1121 -34.053 237.269 116.873 10.3982 192.312 84.2847 PRESSAVG: 482600 67.7949 -51.4694 -41.2296 -51.4694 -66.2658 30.4098 -41.2296 30.4098 10.3636 GPRESSAVG: 482600 66.5346 -51.9734 -41.7405 -51.8166 -64.994 30.0184 -41.2551 31.1042 10.6314 TIMING: 482600 CPU: 1518.54, 0.00313097/step Wall: 1518.54, 0.00313097/step, 3.92885 hours remaining, 236.207031 MB of memory in use. ENERGY: 482600 4023.5890 20618.9827 14491.0679 240.7181 -203719.5235 2892.8477 0.0000 0.0000 52087.5997 -109364.7185 299.3482 -161452.3182 -109005.5659 299.2560 150.6224 176.1636 761398.0106 3.9642 4.0573 PRESSURE: 482800 -204.432 161.543 -77.4702 161.543 -324.548 -93.3516 -77.4704 -93.3525 -472.217 GPRESSURE: 482800 -204.593 31.666 -105.986 157.067 -205.273 -12.7384 -70.5652 -238.338 -500.162 PRESSAVG: 482800 27.681 -12.1992 -22.0409 -12.1991 -4.29765 9.99376 -22.0409 9.99378 17.9574 GPRESSAVG: 482800 27.8339 -13.5563 -22.9069 -9.56228 -4.48123 9.93932 -22.3478 9.38141 17.6282 TIMING: 482800 CPU: 1519.17, 0.00315307/step Wall: 1519.17, 0.00315307/step, 3.9564 hours remaining, 236.207031 MB of memory in use. ENERGY: 482800 4011.9677 20586.3959 14485.1555 258.2650 -202950.3441 2273.6482 0.0000 0.0000 52203.9025 -109131.0093 300.0165 -161334.9118 -108783.7182 299.1696 -333.7323 -303.3426 760190.9603 13.7803 13.6603 PRESSURE: 483000 89.9965 -117.944 -23.7324 -117.944 149.753 32.1413 -23.732 32.1425 24.9496 GPRESSURE: 483000 101.264 -32.3228 70.2508 -174.382 236.971 -8.55071 -78.4283 99.1882 19.4659 PRESSAVG: 483000 5.83398 -5.74685 -29.0028 -5.74688 -17.1215 27.887 -29.0028 27.887 -17.5203 GPRESSAVG: 483000 6.13177 -4.9821 -29.246 -7.30337 -18.2578 28.8319 -27.5639 28.1977 -16.6963 TIMING: 483000 CPU: 1519.81, 0.00315518/step Wall: 1519.81, 0.00315518/step, 3.95887 hours remaining, 236.195312 MB of memory in use. ENERGY: 483000 3868.4691 20512.5402 14507.6528 252.7712 -202750.6573 2398.9308 0.0000 0.0000 52189.6176 -109020.6757 299.9344 -161210.2933 -108660.0482 299.5842 88.2330 119.2337 761792.2771 -9.6026 -9.6075 PRESSURE: 483200 -80.0938 251.225 -193.777 251.226 67.0583 76.9991 -193.778 77.0007 44.3458 GPRESSURE: 483200 12.4458 217.187 -236.663 181.216 59.3142 93.7777 -185.445 29.5147 42.7231 PRESSAVG: 483200 7.40783 -25.7196 -4.1754 -25.7196 12.2252 -26.7579 -4.17538 -26.758 4.69388 GPRESSAVG: 483200 6.02605 -25.6756 -2.23277 -25.728 13.607 -27.8664 -4.38048 -27.3489 4.49954 TIMING: 483200 CPU: 1520.44, 0.00315943/step Wall: 1520.44, 0.00315943/step, 3.96403 hours remaining, 236.195312 MB of memory in use. ENERGY: 483200 3982.5843 20561.3230 14525.1760 245.3640 -203158.5633 2534.3888 0.0000 0.0000 52239.5470 -109070.1801 300.2214 -161309.7272 -108707.8510 300.3510 10.4368 38.1610 761437.8902 8.1090 8.0442 PRESSURE: 483400 -91.932 111.151 45.5824 111.151 -43.2265 80.345 45.583 80.3448 125.676 GPRESSURE: 483400 2.63431 46.1663 -49.7336 204.528 -16.9729 80.3146 54.858 6.12872 94.6329 PRESSAVG: 483400 -30.9306 -77.8769 -9.99458 -77.8769 49.3012 -52.1397 -9.99457 -52.1396 -4.12565 GPRESSAVG: 483400 -29.3387 -77.9138 -10.7924 -75.8495 49.9876 -52.1691 -11.4192 -51.9659 -6.12677 TIMING: 483400 CPU: 1521.07, 0.00316896/step Wall: 1521.07, 0.00316896/step, 3.97581 hours remaining, 236.195312 MB of memory in use. ENERGY: 483400 4034.5015 20515.1780 14567.9864 285.6519 -203685.3930 2779.1272 0.0000 0.0000 52359.0059 -109143.9422 300.9079 -161502.9481 -108778.0363 299.8398 -3.1608 26.7648 760903.4036 4.7483 4.8407 PRESSURE: 483600 -36.0927 143.231 -0.71778 143.231 -100.522 -111.343 -0.717547 -111.344 -136.856 GPRESSURE: 483600 -99.2774 111.692 29.2563 86.6469 -28.7143 -100.323 -35.4091 -62.1296 -77.1602 PRESSAVG: 483600 -11.7878 -34.3951 -4.90362 -34.3951 24.7809 31.369 -4.9036 31.369 -11.4514 GPRESSAVG: 483600 -12.2017 -33.8727 -4.47844 -33.8965 23.9283 30.3371 -3.48062 31.5865 -9.95826 TIMING: 483600 CPU: 1521.7, 0.00315446/step Wall: 1521.7, 0.00315446/step, 3.95745 hours remaining, 236.207031 MB of memory in use. ENERGY: 483600 4012.6337 20612.1399 14525.4669 255.5132 -202706.4957 2236.9319 0.0000 0.0000 52018.9552 -109044.8549 298.9537 -161063.8100 -108679.5738 299.8066 -91.1567 -68.3840 761248.0435 0.5139 0.5894 PRESSURE: 483800 83.3178 -44.0198 -85.6562 -44.0195 -138.938 109.497 -85.6551 109.497 78.2176 GPRESSURE: 483800 49.1402 -58.0784 -0.701724 -66.9501 -166.984 70.6556 -25.2876 178.731 215.935 PRESSAVG: 483800 20.5641 -59.4544 28.3977 -59.4544 -35.2024 13.643 28.3978 13.643 11.7714 GPRESSAVG: 483800 20.9677 -60.1611 29.3978 -61.4004 -35.9397 14.5738 27.5653 14.1648 11.764 TIMING: 483800 CPU: 1522.33, 0.00314739/step Wall: 1522.33, 0.00314739/step, 3.9484 hours remaining, 236.207031 MB of memory in use. ENERGY: 483800 4065.3572 20510.2741 14571.3090 257.6362 -203106.6153 2493.6836 0.0000 0.0000 52362.9794 -108845.3758 300.9308 -161208.3552 -108484.4011 300.0109 7.5324 32.6969 760977.9429 -0.9556 -1.0693 PRESSURE: 484000 30.343 -115.177 -147.808 -115.176 -139.171 -2.03339 -147.808 -2.03409 -336.597 GPRESSURE: 484000 83.4837 -84.2359 -125.548 -136.398 -63.4704 49.4816 -77.82 1.04738 -380.247 PRESSAVG: 484000 75.6586 -32.6418 7.88066 -32.6418 -55.3485 45.6188 7.88065 45.6188 9.82014 GPRESSAVG: 484000 75.8945 -33.0852 7.5115 -32.0507 -56.0335 46.632 6.67424 46.0918 10.4054 TIMING: 484000 CPU: 1522.96, 0.003127/step Wall: 1522.96, 0.003127/step, 3.92265 hours remaining, 236.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 484000 3997.9581 20447.3838 14517.5826 247.6866 -203102.2843 2485.1427 0.0000 0.0000 52577.3125 -108829.2180 302.1625 -161406.5305 -108455.6172 300.2194 -148.4751 -120.0780 762716.1845 10.0434 10.0888 PRESSURE: 484200 -178.978 -235.04 147.654 -235.039 -135.095 -166.204 147.654 -166.204 -122.981 GPRESSURE: 484200 -57.9678 -259.756 161.441 -109.034 -95.4679 -166.722 178.955 -169.634 -192.418 PRESSAVG: 484200 1.46634 -38.4006 -5.60174 -38.4006 -13.9567 38.903 -5.60175 38.903 8.45602 GPRESSAVG: 484200 0.430176 -38.1941 -6.54194 -36.6595 -12.4835 37.8745 -3.22343 38.381 7.95511 TIMING: 484200 CPU: 1523.58, 0.00312807/step Wall: 1523.58, 0.00312807/step, 3.92381 hours remaining, 236.207031 MB of memory in use. ENERGY: 484200 3897.6396 20523.7850 14500.4667 269.5921 -203036.4167 2666.4843 0.0000 0.0000 52462.5151 -108715.9338 301.5028 -161178.4489 -108353.2797 300.9064 -145.6848 -115.2844 762546.4182 -1.3448 -1.3661 LDB: ============= START OF LOAD BALANCING ============== 1536.03 LDB: ============== END OF LOAD BALANCING =============== 1536.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1536.03 LDB: ============= START OF LOAD BALANCING ============== 1536.35 LDB: Largest compute 7076 load 0.036533 is 18.7% of average load 0.194864 LDB: Average compute 0.004395 is 2.3% of average load 0.194864 LDB: TIME 1536.35 LOAD: AVG 0.194864 MAX 0.214242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.504 MB LDB: TIME 1536.35 LOAD: AVG 0.194864 MAX 0.214242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 1536.35 LOAD: AVG 0.194864 MAX 0.214242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 1536.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1536.36 PRESSURE: 484400 -96.4288 76.0802 92.1349 76.0799 -117.545 -14.2509 92.1341 -14.2509 20.6071 GPRESSURE: 484400 -54.2998 78.7965 93.759 -41.8891 -142.71 -39.175 68.7904 -105.882 107.475 PRESSAVG: 484400 -24.39 -50.002 3.59377 -50.002 8.3158 -0.829894 3.59382 -0.829878 27.6423 GPRESSAVG: 484400 -23.7203 -48.4452 4.48286 -51.0385 6.92257 -1.06355 1.90965 0.397924 28.0784 TIMING: 484400 CPU: 1524.22, 0.00320135/step Wall: 1524.22, 0.00320135/step, 4.01556 hours remaining, 234.925781 MB of memory in use. ENERGY: 484400 4012.9117 20620.5582 14489.6973 243.1211 -202751.8857 2356.4029 0.0000 0.0000 52326.9681 -108702.2263 300.7238 -161029.1944 -108352.6292 300.9278 -64.4556 -29.8450 763299.9472 3.8560 3.7602 PRESSURE: 484600 -122.957 20.2772 -8.62529 20.2766 -246.886 -132.028 -8.62573 -132.027 -229.517 GPRESSURE: 484600 -32.9001 -9.51754 -39.1188 -79.6237 -269.235 -59.6833 -36.2954 -150.422 -222.131 PRESSAVG: 484600 -3.88015 -47.657 46.4941 -47.6571 35.6357 -7.71896 46.4941 -7.71893 -3.34917 GPRESSAVG: 484600 -4.13952 -49.3256 45.0664 -47.5681 36.8981 -6.21438 45.4661 -10.0425 -4.71403 TIMING: 484600 CPU: 1524.85, 0.00314564/step Wall: 1524.85, 0.00314564/step, 3.94551 hours remaining, 235.128906 MB of memory in use. ENERGY: 484600 4086.7172 20612.2569 14492.9566 258.1878 -203233.5910 2574.3332 0.0000 0.0000 52199.2364 -109009.9030 299.9897 -161209.1394 -108652.8164 300.2306 -199.7868 -174.7555 763251.0078 9.4688 9.3482 PRESSURE: 484800 -29.8419 118.01 116.826 118.01 -183.877 -32.3391 116.827 -32.3384 -36.5722 GPRESSURE: 484800 4.22179 112.109 74.3783 150.286 -213.425 53.0568 137.176 -69.5922 38.2344 PRESSAVG: 484800 15.1473 -15.3605 13.09 -15.3606 -45.0652 -7.12358 13.09 -7.12348 9.28786 GPRESSAVG: 484800 14.295 -14.3786 11.7839 -16.4946 -45.9377 -6.84819 13.1228 -5.75273 11.0624 TIMING: 484800 CPU: 1525.48, 0.00314376/step Wall: 1525.48, 0.00314376/step, 3.94297 hours remaining, 235.128906 MB of memory in use. ENERGY: 484800 4085.8158 20480.0432 14512.5708 252.1563 -203195.9514 2519.5779 0.0000 0.0000 52188.2125 -109157.5748 299.9264 -161345.7874 -108788.1824 299.9713 -83.4304 -56.9896 761888.3798 -6.8767 -6.8601 PRESSURE: 485000 -31.6938 135.37 154.978 135.37 294.821 -154.61 154.978 -154.611 -24.4671 GPRESSURE: 485000 -85.6276 115.842 194.291 104.164 366.363 -118.407 176.542 -34.8112 41.032 PRESSAVG: 485000 -28.8441 -1.38615 -6.1242 -1.38615 33.9732 27.5977 -6.12419 27.5977 19.0826 GPRESSAVG: 485000 -27.5273 -1.0392 -3.51808 -1.61702 34.0324 27.984 -4.68829 26.1814 17.5986 TIMING: 485000 CPU: 1526.11, 0.00313765/step Wall: 1526.11, 0.00313765/step, 3.93513 hours remaining, 235.128906 MB of memory in use. ENERGY: 485000 3961.3117 20748.1181 14541.0394 240.3489 -203692.7759 2797.0650 0.0000 0.0000 52479.2714 -108925.6213 301.5991 -161404.8927 -108563.6850 299.6021 79.5535 107.2559 760979.5820 8.0706 8.0346 PRESSURE: 485200 87.8734 -133.31 56.7176 -133.31 -172.56 65.8494 56.7182 65.8497 -386.014 GPRESSURE: 485200 111.282 5.17328 79.2341 -121.271 -153.246 58.0445 33.1984 59.9141 -354.339 PRESSAVG: 485200 -32.9292 23.7225 -50.7382 23.7225 -4.83326 -4.44433 -50.7381 -4.44428 -10.3096 GPRESSAVG: 485200 -34.7626 23.9569 -51.4173 24.4268 -4.14339 -5.23834 -51.4174 -3.59176 -9.46694 TIMING: 485200 CPU: 1526.73, 0.00312878/step Wall: 1526.73, 0.00312878/step, 3.92384 hours remaining, 235.332031 MB of memory in use. ENERGY: 485200 4005.0430 20559.8054 14505.4691 252.1153 -203240.4619 2608.1835 0.0000 0.0000 52202.7097 -109107.1359 300.0097 -161309.8456 -108745.5084 300.6315 -156.9003 -132.1008 762296.3018 -16.0240 -16.1243 PRESSURE: 485400 181.395 104.375 109.535 104.376 -151.04 -83.2627 109.535 -83.2627 -85.5576 GPRESSURE: 485400 181.301 -18.2114 161.705 23.3089 -47.1639 -102.033 171.635 30.0214 -101.823 PRESSAVG: 485400 -35.6427 21.8529 2.41513 21.8529 1.54426 10.9766 2.41505 10.9766 -9.97994 GPRESSAVG: 485400 -36.0379 22.3289 1.7714 21.3107 3.15952 11.1288 1.53719 13.2527 -10.5117 TIMING: 485400 CPU: 1527.36, 0.00314307/step Wall: 1527.36, 0.00314307/step, 3.94158 hours remaining, 235.332031 MB of memory in use. ENERGY: 485400 3985.9937 20588.8790 14524.0032 229.5310 -203384.5560 2788.8176 0.0000 0.0000 52109.5490 -109157.7824 299.4743 -161267.3314 -108794.6796 299.4973 -18.4008 10.7715 762058.0282 -14.6928 -14.4634 PRESSURE: 485600 36.2597 234.018 9.68396 234.019 448.096 200.838 9.68426 200.838 -80.6673 GPRESSURE: 485600 86.11 115.82 11.3905 123.491 368.09 162.504 -72.7737 174.292 22.4726 PRESSAVG: 485600 -2.02764 6.96332 -7.65628 6.96338 20.3766 -13.9278 -7.65621 -13.9278 7.81754 GPRESSAVG: 485600 -1.13331 6.57832 -6.47973 7.45241 18.4565 -13.344 -7.77354 -15.4748 8.71226 TIMING: 485600 CPU: 1527.99, 0.00313719/step Wall: 1527.99, 0.00313719/step, 3.93404 hours remaining, 235.332031 MB of memory in use. ENERGY: 485600 3927.9416 20566.7532 14403.3645 256.3650 -203308.7163 2661.9664 0.0000 0.0000 52329.2297 -109163.0961 300.7368 -161492.3258 -108792.9878 299.6864 134.5628 158.8909 761016.5615 8.7222 8.6785 PRESSURE: 485800 -248.457 57.0221 92.8697 57.0219 -276.919 -253.274 92.87 -253.273 -285.789 GPRESSURE: 485800 -188.471 -4.71364 67.4068 69.8012 -268.853 -284.73 111.295 -181.96 -243.804 PRESSAVG: 485800 56.7606 -24.4972 -21.1799 -24.4971 -34.9596 60.4398 -21.1799 60.4398 11.124 GPRESSAVG: 485800 57.5692 -26.3283 -21.9542 -24.8595 -35.0706 60.5662 -18.1592 60.9795 10.744 TIMING: 485800 CPU: 1528.62, 0.00314329/step Wall: 1528.62, 0.00314329/step, 3.94151 hours remaining, 235.332031 MB of memory in use. ENERGY: 485800 3953.1676 20489.6359 14510.3723 264.3363 -202639.4280 2199.1513 0.0000 0.0000 52108.2724 -109114.4923 299.4670 -161222.7646 -108749.9568 299.7989 -270.3880 -233.7095 762304.6651 10.9750 11.0809 PRESSURE: 486000 -41.8744 69.0116 2.60614 69.0124 123.473 124.447 2.6066 124.446 128.246 GPRESSURE: 486000 58.9842 68.1979 -51.4996 142.48 126.345 199.95 103.249 128.977 120.582 PRESSAVG: 486000 30.1724 -8.87462 -25.6625 -8.8746 -6.34091 -7.09606 -25.6625 -7.09609 5.54247 GPRESSAVG: 486000 29.6752 -7.46683 -25.8218 -9.63425 -5.23164 -7.23944 -26.1202 -6.74969 5.49592 TIMING: 486000 CPU: 1529.25, 0.00315539/step Wall: 1529.25, 0.00315539/step, 3.95651 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: 486000 3933.9323 20603.8278 14528.2961 254.5878 -203138.3684 2408.5559 0.0000 0.0000 52083.0690 -109326.0996 299.3221 -161409.1686 -108957.9900 299.7477 69.9484 101.9704 761445.6992 9.7913 9.9798 PRESSURE: 486200 141.288 85.8553 -116.183 85.8551 -107.214 -207.888 -116.184 -207.889 98.1958 GPRESSURE: 486200 158.867 152.458 -175.811 61.2486 -81.5925 -275.711 -5.32628 -351.538 156.305 PRESSAVG: 486200 43.909 9.97786 -54.6023 9.97784 -47.6145 39.79 -54.6023 39.79 -12.2669 GPRESSAVG: 486200 44.5945 10.9336 -54.6977 10.8878 -48.2355 39.4331 -55.8422 40.2335 -12.2826 TIMING: 486200 CPU: 1529.88, 0.00314096/step Wall: 1529.88, 0.00314096/step, 3.93825 hours remaining, 235.332031 MB of memory in use. ENERGY: 486200 4044.7404 20707.4127 14545.4369 254.8059 -203533.5136 2865.1665 0.0000 0.0000 51925.8831 -109190.0682 298.4188 -161115.9513 -108828.2533 299.7973 44.0898 77.8597 762123.4778 -5.3241 -5.3079 PRESSURE: 486400 218.974 -137.878 -79.9791 -137.877 287.957 196.152 -79.979 196.152 -33.0508 GPRESSURE: 486400 272.832 -62.7214 -84.4041 -123.909 255.113 185.354 -37.0829 165.283 48.1177 PRESSAVG: 486400 51.9806 -6.43309 -32.5999 -6.43313 -21.7254 -30.9929 -32.5999 -30.9929 -5.84951 GPRESSAVG: 486400 52.2187 -7.59513 -32.1294 -4.66261 -22.3574 -30.7444 -30.8003 -32.3082 -5.30949 TIMING: 486400 CPU: 1530.51, 0.00314152/step Wall: 1530.51, 0.00314153/step, 3.93877 hours remaining, 235.332031 MB of memory in use. ENERGY: 486400 4034.4099 20697.8594 14504.5771 258.9162 -203357.0845 2874.8331 0.0000 0.0000 51936.8932 -109049.5956 298.4820 -160986.4888 -108702.9657 299.5649 157.9600 192.0209 760636.2570 8.1353 8.1839 PRESSURE: 486600 -175.983 -124.241 -107.01 -124.241 -144.266 222.268 -107.01 222.268 126.52 GPRESSURE: 486600 -205.316 -167.407 -49.1657 -110.29 -90.013 249.972 -76.3711 268.024 186.004 PRESSAVG: 486600 44.0164 2.83483 31.2349 2.83482 -37.9325 -22.2519 31.2349 -22.2519 11.6774 GPRESSAVG: 486600 44.5149 4.06168 30.5542 -1.29725 -37.4468 -21.8288 29.5119 -22.8667 10.944 TIMING: 486600 CPU: 1531.13, 0.00314088/step Wall: 1531.13, 0.00314088/step, 3.9378 hours remaining, 235.332031 MB of memory in use. ENERGY: 486600 3948.2299 20698.0437 14566.9462 245.3389 -203212.9998 2673.0262 0.0000 0.0000 52018.2119 -109063.2031 298.9494 -161081.4150 -108706.3722 300.3191 -64.5763 -36.4418 763246.9347 5.9204 6.0041 PRESSURE: 486800 -354.215 59.4018 -3.60202 59.402 -97.9135 -52.7137 -3.60292 -52.7125 -573.252 GPRESSURE: 486800 -325.542 184.196 -86.5726 -32.6392 -70.496 -132.558 -82.1263 27.2914 -539.762 PRESSAVG: 486800 -13.3433 -17.285 -0.682087 -17.2849 -7.45208 -32.6983 -0.682039 -32.6983 5.99092 GPRESSAVG: 486800 -14.3157 -18.5644 0.179813 -13.756 -5.9069 -31.6894 -0.4167 -31.651 6.03796 TIMING: 486800 CPU: 1531.76, 0.00314033/step Wall: 1531.76, 0.00314033/step, 3.93693 hours remaining, 235.332031 MB of memory in use. ENERGY: 486800 4061.2758 20640.8619 14596.1169 255.2465 -203274.9832 2599.2908 0.0000 0.0000 52198.9292 -108923.2620 299.9880 -161122.1913 -108565.3711 299.9630 -341.7937 -311.9332 762626.6631 -4.9348 -4.7282 PRESSURE: 487000 331.464 66.7688 22.415 66.769 -295.473 17.9896 22.4146 17.9896 198.016 GPRESSURE: 487000 393.99 77.2922 -8.78367 229.753 -197.816 12.3113 120.024 33.4067 115.373 PRESSAVG: 487000 -44.6319 -17.5476 -9.42985 -17.5475 56.2521 -12.8507 -9.42979 -12.8507 -9.77369 GPRESSAVG: 487000 -42.956 -15.9191 -9.9486 -18.5807 55.8899 -13.059 -8.49858 -14.3023 -10.9412 TIMING: 487000 CPU: 1532.39, 0.00313202/step Wall: 1532.39, 0.00313202/step, 3.92633 hours remaining, 235.332031 MB of memory in use. ENERGY: 487000 4019.9914 20479.6070 14546.3968 258.4560 -203094.3202 2637.9044 0.0000 0.0000 52282.9990 -108868.9657 300.4711 -161151.9647 -108501.8060 300.3383 78.0022 103.8489 762357.3302 0.6155 0.6642 PRESSURE: 487200 81.8428 12.3058 -75.321 12.3058 -252.647 64.4161 -75.3214 64.4167 -103.028 GPRESSURE: 487200 -24.3262 27.9249 -116.166 50.761 -72.0258 100.39 -117.447 -57.813 -77.9846 PRESSAVG: 487200 -28.4173 -22.3479 17.5578 -22.3478 -27.3 -39.371 17.5578 -39.3709 -32.0144 GPRESSAVG: 487200 -30.3278 -23.8256 18.5441 -23.0978 -26.5386 -39.3917 14.3783 -38.0153 -30.293 TIMING: 487200 CPU: 1533.01, 0.00312601/step Wall: 1533.01, 0.00312601/step, 3.91863 hours remaining, 235.332031 MB of memory in use. ENERGY: 487200 3937.0300 20590.9525 14532.7645 208.3436 -202646.8364 2356.4336 0.0000 0.0000 52112.8439 -108908.4683 299.4932 -161021.3122 -108539.7545 299.9956 -91.2773 -58.1122 763209.2178 -29.2439 -29.0531 PRESSURE: 487400 -26.3841 123.918 -233.227 123.917 -177.118 39.8214 -233.226 39.8211 -184.617 GPRESSURE: 487400 62.6407 132.359 -297.168 65.1873 -195.141 66.2958 -228.034 146.502 -173.282 PRESSAVG: 487400 0.943954 18.2585 20.0464 18.2585 21.4336 5.75414 20.0464 5.75414 3.56903 GPRESSAVG: 487400 1.7377 19.3983 19.6731 17.4266 20.4987 4.70115 23.9912 5.11147 3.89737 TIMING: 487400 CPU: 1533.64, 0.00314178/step Wall: 1533.64, 0.00314178/step, 3.93822 hours remaining, 235.332031 MB of memory in use. ENERGY: 487400 4096.1243 20590.1511 14527.1791 243.3355 -203035.4268 2464.7410 0.0000 0.0000 52176.2657 -108937.6300 299.8577 -161113.8957 -108572.7346 300.2891 -129.3731 -101.9275 761792.3781 8.6489 8.7112 PRESSURE: 487600 -157.009 137.564 137.811 137.563 -189.947 124.823 137.81 124.824 -311.495 GPRESSURE: 487600 -122.104 8.05563 64.7237 217.722 -168.642 64.4042 154.88 93.7314 -296.723 PRESSAVG: 487600 -12.2849 -42.7777 2.76422 -42.7777 -20.896 -20.9976 2.76422 -20.9977 -27.3556 GPRESSAVG: 487600 -11.7634 -45.3098 2.21966 -42.8013 -20.9642 -21.1163 1.49797 -18.9531 -27.702 TIMING: 487600 CPU: 1534.27, 0.00314996/step Wall: 1534.27, 0.00314996/step, 3.94831 hours remaining, 235.332031 MB of memory in use. ENERGY: 487600 3966.6389 20628.5807 14474.0144 232.8062 -202671.7726 2224.8950 0.0000 0.0000 52225.0626 -108919.7747 300.1382 -161144.8373 -108552.0181 300.2890 -219.4833 -195.8229 762421.4106 -20.1788 -20.1432 PRESSURE: 487800 327.724 -79.6986 135.225 -79.6992 208.121 -158.946 135.226 -158.946 195.492 GPRESSURE: 487800 309.782 -37.1942 156.493 -87.7277 234.839 -199.323 -31.3294 -123.92 264.23 PRESSAVG: 487800 39.6854 7.01419 -17.8258 7.01418 -61.1225 -14.3445 -17.8258 -14.3445 11.0684 GPRESSAVG: 487800 38.1793 8.51938 -18.2523 8.13167 -58.8271 -11.865 -18.2545 -16.7164 10.6389 TIMING: 487800 CPU: 1534.9, 0.00312886/step Wall: 1534.9, 0.00312886/step, 3.92167 hours remaining, 235.332031 MB of memory in use. ENERGY: 487800 3940.5061 20726.9086 14545.4657 251.4373 -203283.4976 2590.2873 0.0000 0.0000 52156.8432 -109072.0494 299.7461 -161228.8926 -108718.0641 299.9837 243.7790 269.6170 760840.2033 -3.4563 -3.3363 PRESSURE: 488000 189.611 -62.8918 152.523 -62.892 431.008 104.899 152.523 104.9 -216.871 GPRESSURE: 488000 230.008 -35.6849 205.929 -83.993 407.442 55.3289 188.807 56.7637 -135.443 PRESSAVG: 488000 -4.81372 -15.514 -15.5535 -15.514 33.7939 -28.2093 -15.5535 -28.2092 -7.7335 GPRESSAVG: 488000 -4.5906 -14.7367 -15.2903 -15.3337 32.4191 -30.7617 -14.4543 -28.2284 -6.84272 TIMING: 488000 CPU: 1535.53, 0.00313395/step Wall: 1535.53, 0.00313395/step, 3.92788 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: 488000 4047.5763 20483.2364 14498.1032 249.3464 -203206.3744 2712.0267 0.0000 0.0000 52050.7613 -109165.3240 299.1364 -161216.0853 -108802.8449 300.0591 134.5825 167.3358 762786.2431 7.0822 6.9953 PRESSURE: 488200 -124.09 -23.5862 25.7486 -23.5868 -42.2298 7.4447 25.7492 7.44452 -279.056 GPRESSURE: 488200 -74.2594 -20.9851 -9.17321 -14.6753 10.9475 -44.9272 86.3608 15.47 -301.189 PRESSAVG: 488200 -34.8813 -37.7385 9.3264 -37.7385 -25.1255 48.7489 9.32643 48.7489 -28.1202 GPRESSAVG: 488200 -34.8756 -38.5837 8.72091 -39.0613 -25.7523 48.0727 7.77222 49.1482 -28.1749 TIMING: 488200 CPU: 1536.15, 0.00314087/step Wall: 1536.15, 0.00314087/step, 3.93638 hours remaining, 235.332031 MB of memory in use. ENERGY: 488200 4075.8812 20339.7441 14445.2148 262.1448 -203380.6932 2544.7432 0.0000 0.0000 52478.4782 -109234.4869 301.5945 -161712.9652 -108865.5765 299.6238 -148.4585 -121.5002 763081.9741 -29.3757 -29.6009 LDB: ============= START OF LOAD BALANCING ============== 1548.6 LDB: ============== END OF LOAD BALANCING =============== 1548.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1548.6 LDB: ============= START OF LOAD BALANCING ============== 1548.92 LDB: Largest compute 7075 load 0.035753 is 18.3% of average load 0.195049 LDB: Average compute 0.004395 is 2.3% of average load 0.195049 LDB: TIME 1548.92 LOAD: AVG 0.195049 MAX 0.212875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.41 MB LDB: TIME 1548.92 LOAD: AVG 0.195049 MAX 0.212875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: TIME 1548.92 LOAD: AVG 0.195049 MAX 0.212875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: ============== END OF LOAD BALANCING =============== 1548.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1548.93 PRESSURE: 488400 -89.2171 -16.8124 112.139 -16.8126 -199.966 115.431 112.139 115.43 -360.979 GPRESSURE: 488400 -47.8568 138.995 76.5316 -14.0621 -208.656 162.251 157.138 39.8389 -302.721 PRESSAVG: 488400 20.0915 -36.3957 -21.2262 -36.3956 -56.8101 9.24154 -21.2262 9.2416 5.35655 GPRESSAVG: 488400 20.2689 -37.5763 -19.7621 -33.4697 -55.7079 11.0507 -20.9774 9.42422 4.93292 TIMING: 488400 CPU: 1536.79, 0.00318796/step Wall: 1536.79, 0.00318796/step, 3.99522 hours remaining, 234.925781 MB of memory in use. ENERGY: 488400 3978.6863 20628.4591 14527.9836 237.1778 -202990.4613 2359.5668 0.0000 0.0000 52115.6909 -109142.8969 299.5096 -161258.5877 -108779.9813 299.7153 -216.7209 -186.4112 763709.5362 -10.4540 -10.1687 PRESSURE: 488600 325.062 -116.955 30.1964 -116.954 -111.281 -38.1558 30.1962 -38.1554 -179.22 GPRESSURE: 488600 345.015 -182.829 70.3366 43.5212 -71.2132 31.8357 119.468 -44.32 -140.786 PRESSAVG: 488600 40.7128 -26.6734 17.2703 -26.6733 -29.1065 -13.949 17.2703 -13.949 -1.04289 GPRESSAVG: 488600 41.7654 -26.1801 17.5856 -27.8577 -29.7538 -13.9908 18.2192 -16.232 -0.79993 TIMING: 488600 CPU: 1537.42, 0.00315951/step Wall: 1537.42, 0.00315952/step, 3.9594 hours remaining, 234.925781 MB of memory in use. ENERGY: 488600 3987.3941 20468.4606 14565.3817 245.0165 -203105.5144 2531.2193 0.0000 0.0000 52147.0725 -109160.9696 299.6899 -161308.0421 -108793.2533 298.8317 11.5202 44.3386 763042.0214 3.5211 3.7372 PRESSURE: 488800 -102.978 -105.662 162.879 -105.661 -98.3603 1.08537 162.879 1.08509 -266.912 GPRESSURE: 488800 -28.8723 -15.3393 188.959 -14.3328 -42.3828 40.7328 137.935 27.94 -313.503 PRESSAVG: 488800 48.2668 -63.8161 55.3194 -63.8161 -42.2102 38.2123 55.3193 38.2124 -39.5356 GPRESSAVG: 488800 48.0416 -64.7737 55.8837 -64.0913 -42.3082 37.668 56.3616 40.1177 -39.4706 TIMING: 488800 CPU: 1538.05, 0.00313749/step Wall: 1538.05, 0.00313749/step, 3.93162 hours remaining, 235.183594 MB of memory in use. ENERGY: 488800 3973.7167 20534.3861 14490.7361 251.6181 -202834.3075 2585.4421 0.0000 0.0000 51818.1615 -109180.2468 297.7997 -160998.4083 -108819.0701 299.0749 -156.0837 -128.2528 765584.3003 -11.1596 -11.2457 PRESSURE: 489000 151.094 199.388 -83.1558 199.388 -54.2611 92.1873 -83.1557 92.1878 -6.68925 GPRESSURE: 489000 142.692 130.674 -111.677 228.606 -1.25199 98.9135 -137.292 206.61 32.2488 PRESSAVG: 489000 -21.9286 -17.0628 26.8997 -17.0628 43.3552 26.5523 26.8997 26.5523 -17.6032 GPRESSAVG: 489000 -21.9997 -15.3892 25.2487 -16.2615 42.0818 26.6777 26.5909 27.5444 -16.7677 TIMING: 489000 CPU: 1538.68, 0.00314503/step Wall: 1538.68, 0.00314503/step, 3.9409 hours remaining, 235.183594 MB of memory in use. ENERGY: 489000 3973.0135 20694.7293 14546.9416 233.8839 -203258.3157 2659.3011 0.0000 0.0000 52281.0379 -108869.4083 300.4598 -161150.4462 -108511.4992 299.7187 30.0480 57.8962 762699.8965 1.2745 1.1048 PRESSURE: 489200 136.867 -18.0248 145.582 -18.0254 347.607 81.4432 145.581 81.4428 470.535 GPRESSURE: 489200 119.7 21.6173 213.263 32.6788 392.328 31.7684 149.651 320.202 516.343 PRESSAVG: 489200 -11.0618 24.3492 -32.1579 24.3491 28.2098 56.1184 -32.1579 56.1184 -18.3231 GPRESSAVG: 489200 -10.6244 23.7131 -31.6661 23.0875 29.0024 56.7674 -31.7887 56.2029 -20.0552 TIMING: 489200 CPU: 1539.31, 0.00314738/step Wall: 1539.31, 0.00314738/step, 3.94367 hours remaining, 235.183594 MB of memory in use. ENERGY: 489200 3938.8569 20532.2072 14591.3446 255.0242 -203341.4898 2914.5266 0.0000 0.0000 51824.3802 -109285.1501 297.8354 -161109.5303 -108924.6662 299.3415 318.3363 342.7904 761755.3667 -0.3917 -0.5590 PRESSURE: 489400 -45.2373 -173.392 -97.8391 -173.392 -368.644 107.336 -97.8395 107.336 106.328 GPRESSURE: 489400 4.88854 -144.708 -55.2936 -78.668 -300.616 92.1622 -86.9603 99.1666 74.4056 PRESSAVG: 489400 -22.6651 -24.3203 57.6126 -24.3203 18.2769 47.7423 57.6126 47.7422 27.1902 GPRESSAVG: 489400 -23.1235 -24.6585 57.5355 -23.3253 19.8355 45.7734 57.8526 47.7476 27.1015 TIMING: 489400 CPU: 1539.94, 0.00313453/step Wall: 1539.94, 0.00313453/step, 3.9274 hours remaining, 235.183594 MB of memory in use. ENERGY: 489400 3969.9593 20628.5893 14553.6576 262.5631 -203228.4176 2552.6581 0.0000 0.0000 51953.3017 -109307.6887 298.5763 -161260.9903 -108949.1140 299.6544 -102.5179 -73.7740 763280.8800 7.6007 7.9378 PRESSURE: 489600 150.781 28.7723 74.8329 28.7721 5.674 -47.0388 74.833 -47.0398 152.297 GPRESSURE: 489600 181.911 -117.684 -8.96248 -30.6589 28.1294 -106.122 105.824 -46.3311 171.764 PRESSAVG: 489600 -14.8298 -28.2688 6.66112 -28.2688 3.02129 70.0886 6.66109 70.0887 0.701524 GPRESSAVG: 489600 -14.0857 -27.7691 7.11338 -29.8644 2.06544 70.8865 5.19457 70.0483 0.660358 TIMING: 489600 CPU: 1540.56, 0.00312838/step Wall: 1540.56, 0.00312838/step, 3.91951 hours remaining, 235.183594 MB of memory in use. ENERGY: 489600 3951.7193 20518.9587 14559.1416 262.3461 -203220.5189 2535.6531 0.0000 0.0000 52189.8502 -109202.8499 299.9358 -161392.7001 -108845.0646 299.4565 102.9175 127.2681 763055.1027 -3.7023 -3.7866 PRESSURE: 489800 -127.762 83.243 -23.3656 83.2425 159.645 109.715 -23.3656 109.715 -314.761 GPRESSURE: 489800 -117.009 135.016 -85.5777 76.8675 145.893 139.191 28.6238 90.547 -225.627 PRESSAVG: 489800 38.6475 17.788 1.73982 17.7879 -44.6869 -5.60477 1.73978 -5.60469 -7.95801 GPRESSAVG: 489800 36.8721 18.232 0.978383 18.507 -44.534 -4.03371 2.39629 -7.20806 -7.172 TIMING: 489800 CPU: 1541.19, 0.00314267/step Wall: 1541.19, 0.00314267/step, 3.93724 hours remaining, 235.183594 MB of memory in use. ENERGY: 489800 4019.4653 20377.0454 14625.5629 245.5028 -203027.2656 2597.4801 0.0000 0.0000 51975.3785 -109186.8306 298.7032 -161162.2091 -108836.1770 299.4034 -94.2929 -65.5810 763483.0026 -4.6658 -4.9446 PRESSURE: 490000 -240.743 30.6508 -43.9412 30.6506 215.108 129.942 -43.9414 129.941 45.736 GPRESSURE: 490000 -113.089 -6.6095 -109.357 -71.5843 252.294 134.074 21.0878 94.3268 -4.04067 PRESSAVG: 490000 -8.83924 -18.3979 -7.15981 -18.3979 47.9094 -3.30621 -7.15984 -3.30624 -3.84194 GPRESSAVG: 490000 -7.0706 -18.2417 -6.88171 -19.7715 47.715 -3.43622 -6.19838 -0.526068 -4.95292 TIMING: 490000 CPU: 1541.82, 0.00314273/step Wall: 1541.82, 0.00314273/step, 3.93714 hours remaining, 235.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 490000 3987.2728 20446.7845 14518.7471 251.9073 -203064.7584 2782.1624 0.0000 0.0000 51924.8204 -109153.0641 298.4127 -161077.8845 -108795.1003 299.4258 6.7004 45.0546 763329.0627 11.7427 11.8972 PRESSURE: 490200 -43.7727 -142.084 -182.802 -142.084 -443.773 48.819 -182.803 48.8196 63.4324 GPRESSURE: 490200 -84.9939 -134.877 -195.72 -127.494 -357.546 -11.0423 -214.534 77.5507 99.4217 PRESSAVG: 490200 -19.3071 -60.8276 49.0826 -60.8276 0.459055 17.3976 49.0827 17.3976 -8.48261 GPRESSAVG: 490200 -20.0738 -61.3799 49.2085 -60.8304 1.26611 18.7968 50.1083 14.4695 -8.22272 TIMING: 490200 CPU: 1542.45, 0.00314897/step Wall: 1542.45, 0.00314897/step, 3.94478 hours remaining, 235.183594 MB of memory in use. ENERGY: 490200 4006.9229 20521.0511 14560.6711 247.9160 -202823.6409 2507.2271 0.0000 0.0000 51764.8910 -109214.9619 297.4935 -160979.8528 -108857.2046 299.1292 -141.3711 -114.3726 762608.0077 -9.1102 -9.0101 PRESSURE: 490400 20.6135 -152.128 80.8747 -152.128 -136.697 95.3336 80.8749 95.3338 5.8767 GPRESSURE: 490400 7.47822 -161.292 62.213 -180.718 -88.8342 110.769 51.0618 68.0657 29.4121 PRESSAVG: 490400 -13.4995 -33.2784 -3.99861 -33.2784 1.4536 30.225 -3.99859 30.225 14.6045 GPRESSAVG: 490400 -12.948 -34.6746 -4.44092 -29.521 0.94664 28.8922 -6.11213 31.6514 14.3772 TIMING: 490400 CPU: 1543.08, 0.00316169/step Wall: 1543.08, 0.00316169/step, 3.96054 hours remaining, 235.183594 MB of memory in use. ENERGY: 490400 4042.1207 20492.1273 14602.1083 229.3999 -203039.8790 2536.0755 0.0000 0.0000 52004.2780 -109133.7695 298.8693 -161138.0474 -108776.1255 299.0784 -36.7355 -17.3147 763338.5818 0.8529 0.7920 PRESSURE: 490600 -172.01 -166.184 -217.026 -166.184 -97.4966 -97.8373 -217.025 -97.836 -54.1406 GPRESSURE: 490600 -82.3839 -22.9853 -169.694 -99.6755 -15.561 -88.8631 -91.7403 -165.329 -113.703 PRESSAVG: 490600 -7.36982 -39.1697 33.9506 -39.1697 10.1355 48.9455 33.9507 48.9454 -5.16576 GPRESSAVG: 490600 -7.19828 -37.0185 33.8834 -42.0581 10.0291 47.5895 34.2521 48.3224 -5.14911 TIMING: 490600 CPU: 1543.71, 0.00316972/step Wall: 1543.71, 0.00316972/step, 3.97042 hours remaining, 235.183594 MB of memory in use. ENERGY: 490600 3966.5237 20446.6118 14518.9694 232.9198 -203165.4120 2581.3662 0.0000 0.0000 52187.4259 -109231.5953 299.9219 -161419.0212 -108871.2679 298.8573 -107.8823 -70.5493 762933.7787 -0.8000 -0.7728 PRESSURE: 490800 172.153 -2.42197 -4.57005 -2.42149 -121.145 16.3571 -4.56976 16.3572 105.111 GPRESSURE: 490800 234.348 -31.5331 -24.063 -88.559 -81.2244 3.52427 -55.0959 53.1962 76.9501 PRESSAVG: 490800 11.8746 -65.8956 15.1087 -65.8955 -12.8662 -36.2322 15.1088 -36.2322 -17.7522 GPRESSAVG: 490800 10.5595 -67.46 15.4207 -66.1114 -12.606 -34.7602 15.4163 -37.0921 -17.3691 TIMING: 490800 CPU: 1544.35, 0.00320218/step Wall: 1544.35, 0.00320218/step, 4.01091 hours remaining, 235.183594 MB of memory in use. ENERGY: 490800 4002.1801 20468.1487 14554.5861 256.2964 -203065.4648 2553.5760 0.0000 0.0000 52031.5124 -109199.1652 299.0258 -161230.6776 -108838.0771 299.3099 52.0395 76.6912 762378.4948 -6.2479 -6.4719 PRESSURE: 491000 260.223 97.5331 97.7012 97.5331 -72.6885 233.635 97.7007 233.635 -1.57643 GPRESSURE: 491000 241.056 182.07 157.822 98.1598 -11.5278 226.818 64.9342 288.978 42.649 PRESSAVG: 491000 23.7382 6.2959 -29.6991 6.29589 -59.9979 32.5772 -29.6989 32.5772 8.02144 GPRESSAVG: 491000 25.55 7.2327 -30.111 6.66776 -61.0656 32.6678 -29.7126 33.641 7.86546 TIMING: 491000 CPU: 1544.98, 0.00314676/step Wall: 1544.98, 0.00314676/step, 3.94132 hours remaining, 235.183594 MB of memory in use. ENERGY: 491000 4086.1382 20395.4219 14483.0553 257.8279 -203416.9572 2784.2456 0.0000 0.0000 52184.5807 -109225.6876 299.9055 -161410.2683 -108870.0816 299.1352 61.9859 90.7257 762698.3094 -9.4127 -9.2167 PRESSURE: 491200 67.2074 -79.3226 -67.517 -79.3223 213.573 -7.47854 -67.5172 -7.47912 -226.096 GPRESSURE: 491200 149.516 -144.798 -46.4631 -16.6726 165.915 13.2783 68.0441 44.5844 -193.433 PRESSAVG: 491200 16.9939 -0.667791 -3.05575 -0.667776 2.62217 4.2221 -3.05567 4.22209 4.51335 GPRESSAVG: 491200 15.4351 -0.816435 -3.0894 -1.24182 3.7637 1.84845 -2.83758 5.50688 5.08099 TIMING: 491200 CPU: 1545.62, 0.0031535/step Wall: 1545.62, 0.0031535/step, 3.94958 hours remaining, 235.183594 MB of memory in use. ENERGY: 491200 3961.9764 20427.8736 14601.8846 249.9845 -203230.5960 2706.1421 0.0000 0.0000 52071.6733 -109211.0614 299.2566 -161282.7347 -108849.8142 299.2124 18.2281 40.6660 761542.2668 8.0431 8.0933 PRESSURE: 491400 3.88442 -420.03 124.384 -420.03 -72.6058 10.2313 124.384 10.231 -223.884 GPRESSURE: 491400 -36.7309 -268.399 27.0797 -329.498 -54.6151 20.9399 123.073 39.0002 -113.673 PRESSAVG: 491400 8.89804 -34.967 12.6556 -34.967 13.4741 -10.8685 12.6555 -10.8686 15.8853 GPRESSAVG: 491400 10.322 -35.1945 13.6241 -32.0644 13.7441 -8.91804 11.8276 -11.8122 14.4106 TIMING: 491400 CPU: 1546.25, 0.0031603/step Wall: 1546.25, 0.0031603/step, 3.95792 hours remaining, 235.183594 MB of memory in use. ENERGY: 491400 4020.0513 20605.8922 14527.5624 247.2993 -203157.2095 2614.3576 0.0000 0.0000 51925.1081 -109216.9385 298.4143 -161142.0466 -108862.2236 299.4051 -97.5351 -68.3396 761111.9616 12.7525 12.8256 PRESSURE: 491600 158.999 29.6885 -115.09 29.6886 177.706 -286.791 -115.09 -286.791 259.258 GPRESSURE: 491600 266.751 85.5802 -124.284 134.69 225.473 -304.616 -193.223 -101.69 201.001 PRESSAVG: 491600 48.6067 -37.4972 -16.8469 -37.4972 -26.1512 -9.7661 -16.8469 -9.76605 -16.2117 GPRESSAVG: 491600 48.4423 -37.004 -17.1104 -38.3243 -26.9323 -10.019 -16.7104 -9.95533 -14.9138 TIMING: 491600 CPU: 1546.88, 0.00315275/step Wall: 1546.88, 0.00315275/step, 3.94829 hours remaining, 235.183594 MB of memory in use. ENERGY: 491600 3949.6131 20516.2418 14519.7424 230.1794 -203270.8834 2774.5957 0.0000 0.0000 52044.4775 -109236.0335 299.1003 -161280.5110 -108871.5473 299.3639 198.6542 231.0750 761747.5374 2.0812 2.1987 PRESSURE: 491800 127.527 234.213 128.785 234.213 486.749 56.2832 128.784 56.2828 -337.482 GPRESSURE: 491800 148.219 145.145 124.51 186.13 486.203 143.269 192.494 -75.064 -255.803 PRESSAVG: 491800 -0.856758 17.2948 8.21102 17.2948 6.16415 61.5356 8.21106 61.5355 21.8544 GPRESSAVG: 491800 -0.721431 18.0506 7.64925 15.6567 5.72853 63.06 8.91863 61.2747 22.4222 TIMING: 491800 CPU: 1547.51, 0.0031555/step Wall: 1547.51, 0.0031555/step, 3.95156 hours remaining, 235.183594 MB of memory in use. ENERGY: 491800 4003.0512 20425.6011 14448.7452 243.6550 -203626.8757 3023.3870 0.0000 0.0000 52145.4897 -109336.9464 299.6808 -161482.4361 -108979.3997 299.5662 92.2646 126.2065 760566.8046 9.0539 9.1431 PRESSURE: 492000 -33.5797 -283.896 116.73 -283.896 148.539 -19.4512 116.73 -19.4497 -65.0089 GPRESSURE: 492000 -11.203 -207 30.8385 -296.187 233.668 -62.5576 155.775 -5.29318 -83.3512 PRESSAVG: 492000 -25.1598 -6.06387 79.5826 -6.06385 52.5854 20.5171 79.5826 20.5172 -6.36434 GPRESSAVG: 492000 -25.184 -5.8492 80.2161 -7.87466 53.2564 18.7455 76.2093 20.4214 -6.8351 TIMING: 492000 CPU: 1548.14, 0.00316826/step Wall: 1548.14, 0.00316826/step, 3.96737 hours remaining, 235.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 492000 4010.4847 20368.3662 14531.3724 237.2640 -203254.4084 2547.4315 0.0000 0.0000 52205.4608 -109354.0289 300.0255 -161559.4897 -108979.4344 299.5994 16.6500 46.3713 760243.4492 7.0204 7.0791 PRESSURE: 492200 125.163 -227.97 300.194 -227.97 -84.2067 94.5169 300.195 94.5176 363.343 GPRESSURE: 492200 250.04 -250.659 288.291 -212.157 -50.5111 2.33658 227.901 75.7923 287.728 PRESSAVG: 492200 0.288947 -62.0796 30.9102 -62.0796 15.2762 -33.5718 30.9101 -33.5717 -12.3049 GPRESSAVG: 492200 0.838387 -62.768 29.5249 -60.0549 14.6739 -33.2076 33.1798 -33.4728 -12.5222 TIMING: 492200 CPU: 1548.78, 0.00316946/step Wall: 1548.78, 0.00316946/step, 3.96869 hours remaining, 235.183594 MB of memory in use. ENERGY: 492200 3993.9545 20419.6675 14553.5186 268.7432 -203560.5595 2919.6569 0.0000 0.0000 51990.3293 -109414.6895 298.7891 -161405.0188 -109060.4978 299.0717 134.7662 162.4189 761888.3943 1.0868 0.9967 LDB: ============= START OF LOAD BALANCING ============== 1561.23 LDB: ============== END OF LOAD BALANCING =============== 1561.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1561.23 LDB: ============= START OF LOAD BALANCING ============== 1561.55 LDB: Largest compute 7075 load 0.035815 is 18.4% of average load 0.194972 LDB: Average compute 0.004427 is 2.3% of average load 0.194972 LDB: TIME 1561.55 LOAD: AVG 0.194972 MAX 0.2118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.797 MB LDB: TIME 1561.55 LOAD: AVG 0.194972 MAX 0.2118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.91 MB LDB: TIME 1561.55 LOAD: AVG 0.194972 MAX 0.2118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.91 MB LDB: ============== END OF LOAD BALANCING =============== 1561.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1561.56 PRESSURE: 492400 129.337 -160.89 -234.158 -160.889 180.22 130.947 -234.158 130.948 148.817 GPRESSURE: 492400 59.4088 -172 -209.18 -261.918 258.851 140.03 -120.004 121.435 238.375 PRESSAVG: 492400 -27.2653 -115.36 -13.7839 -115.36 -1.60612 -0.0153728 -13.7839 -0.0153232 -10.3578 GPRESSAVG: 492400 -28.684 -116.544 -11.8439 -115.568 -0.595407 -0.37619 -13.5182 -1.65599 -9.56886 TIMING: 492400 CPU: 1549.42, 0.0032245/step Wall: 1549.42, 0.0032245/step, 4.03743 hours remaining, 235.179688 MB of memory in use. ENERGY: 492400 3932.4767 20494.3046 14432.7959 249.7757 -203209.0121 2665.8840 0.0000 0.0000 52110.2750 -109323.5001 299.4785 -161433.7751 -108967.5888 299.1432 152.7913 185.5449 761195.9168 -13.0764 -12.9494 PRESSURE: 492600 235.048 -83.8938 142.194 -83.8944 -365.51 341.101 142.194 341.102 -182.161 GPRESSURE: 492600 257.405 -58.0229 187.512 -70.7102 -270.832 314.257 136.085 373.781 -214.926 PRESSAVG: 492600 -30.8485 -29.3768 0.608415 -29.3768 -10.1455 -4.08111 0.608415 -4.08112 20.0789 GPRESSAVG: 492600 -31.8318 -28.5342 -0.262171 -29.5907 -10.1711 -4.39984 1.9779 -2.33666 20.2403 TIMING: 492600 CPU: 1550.05, 0.00315578/step Wall: 1550.05, 0.00315578/step, 3.95122 hours remaining, 235.382812 MB of memory in use. ENERGY: 492600 3968.7060 20517.8104 14461.5310 227.5685 -203292.6774 2658.7220 0.0000 0.0000 52168.4657 -109289.8740 299.8129 -161458.3396 -108920.2913 299.1550 -104.2076 -76.1179 762049.7416 -6.9717 -7.2542 PRESSURE: 492800 -399.306 185.046 -53.0835 185.047 -345.688 -9.13188 -53.0823 -9.13147 -154.185 GPRESSURE: 492800 -251.129 128.331 -66.2798 173.037 -408.411 85.1492 -68.2862 58.3224 -170.696 PRESSAVG: 492800 10.7755 -46.0695 -11.9134 -46.0696 23.5518 -15.4913 -11.9134 -15.4913 0.96461 GPRESSAVG: 492800 12.0653 -47.5359 -11.6734 -43.8863 23.3475 -14.8141 -14.6255 -16.2525 0.704857 TIMING: 492800 CPU: 1550.68, 0.00315241/step Wall: 1550.68, 0.00315241/step, 3.94682 hours remaining, 235.382812 MB of memory in use. ENERGY: 492800 4025.0264 20484.1972 14568.7744 256.1802 -202831.8731 2263.2814 0.0000 0.0000 51936.0278 -109298.3857 298.4771 -161234.4135 -108927.2755 299.2895 -299.7260 -276.7452 761583.7187 11.7639 12.0392 PRESSURE: 493000 -115.451 64.4532 48.3529 64.4525 -216.434 -192.531 48.3533 -192.532 166.931 GPRESSURE: 493000 -92.0328 40.4319 90.3088 115.384 -231.536 -135.078 -59.798 -195.416 236.098 PRESSAVG: 493000 0.300446 -63.9792 36.1621 -63.9793 -8.58067 -23.9558 36.162 -23.9559 19.8796 GPRESSAVG: 493000 1.83051 -60.723 35.4468 -66.1539 -11.0775 -23.0513 36.082 -24.3 20.1683 TIMING: 493000 CPU: 1551.32, 0.00318387/step Wall: 1551.32, 0.00318387/step, 3.98603 hours remaining, 235.382812 MB of memory in use. ENERGY: 493000 4004.5976 20624.9033 14545.4224 244.7888 -202706.0834 2336.9579 0.0000 0.0000 51811.9658 -109137.4475 297.7641 -160949.4134 -108786.6404 299.1215 -54.9849 -29.1570 763486.2627 3.8665 3.6404 PRESSURE: 493200 13.377 80.2856 -319.643 80.2857 -416.526 123.871 -319.643 123.87 -81.2098 GPRESSURE: 493200 -17.5027 58.1342 -330.209 -23.708 -291.672 134.798 -262.981 13.6921 -71.1089 PRESSAVG: 493200 19.9407 8.74084 16.3284 8.74077 5.87038 13.0214 16.3285 13.0214 -17.0292 GPRESSAVG: 493200 18.1669 6.47345 15.0623 7.55192 8.57623 11.7411 17.7613 13.2546 -17.8044 TIMING: 493200 CPU: 1551.96, 0.00318503/step Wall: 1551.96, 0.00318503/step, 3.9873 hours remaining, 235.382812 MB of memory in use. ENERGY: 493200 4058.0792 20514.3728 14469.2144 235.4678 -202644.9002 2333.6642 0.0000 0.0000 51794.2681 -109239.8337 297.6624 -161034.1018 -108881.4152 299.4698 -161.4528 -126.7612 762183.0684 2.9273 2.9796 PRESSURE: 493400 -153.603 -154.261 38.6145 -154.261 -422.517 -39.685 38.6142 -39.6843 225.559 GPRESSURE: 493400 -64.925 -120.664 42.6815 -172.81 -438.99 -50.3929 133.919 -121.819 237.653 PRESSAVG: 493400 30.9724 -13.6166 1.03681 -13.6166 -34.0367 17.9693 1.03686 17.9692 2.44169 GPRESSAVG: 493400 32.3535 -11.937 2.08611 -13.8541 -35.418 18.933 2.02738 18.9274 2.78883 TIMING: 493400 CPU: 1552.59, 0.00318344/step Wall: 1552.59, 0.00318344/step, 3.98513 hours remaining, 235.382812 MB of memory in use. ENERGY: 493400 4061.1678 20540.3228 14514.8783 236.0578 -202940.9823 2303.8847 0.0000 0.0000 52015.0529 -109269.6180 298.9312 -161284.6708 -108902.8112 299.1159 -116.8538 -88.7542 763187.6655 -0.2075 -0.0919 PRESSURE: 493600 -28.0408 143.542 77.6397 143.543 -161.878 -105.742 77.6402 -105.742 -71.7556 GPRESSURE: 493600 2.90588 47.437 148.166 181.124 -75.7386 -103.172 85.191 71.758 -102.673 PRESSAVG: 493600 88.5651 -37.7375 8.51295 -37.7376 -50.5073 -8.9256 8.51296 -8.92552 -0.240425 GPRESSAVG: 493600 87.9741 -37.5481 7.57057 -36.4496 -49.1057 -8.73102 8.00653 -9.73281 -0.754872 TIMING: 493600 CPU: 1553.23, 0.00319326/step Wall: 1553.23, 0.00319326/step, 3.99725 hours remaining, 235.382812 MB of memory in use. ENERGY: 493600 4013.6200 20549.4863 14517.3161 258.7271 -203307.8630 2635.9562 0.0000 0.0000 51917.0283 -109415.7290 298.3679 -161332.7572 -109049.8076 299.5654 -87.2248 -58.5018 763144.5296 12.6058 12.7045 PRESSURE: 493800 77.5137 -20.7147 332.121 -20.7137 -187.352 73.9574 332.121 73.9574 35.6237 GPRESSURE: 493800 95.3443 43.7222 338.724 -23.127 -121.218 -3.05515 324.984 98.321 25.2279 PRESSAVG: 493800 -7.17052 -83.9973 2.65897 -83.9973 28.73 3.5871 2.65898 3.58707 -3.7507 GPRESSAVG: 493800 -7.37482 -84.5467 2.56829 -84.0636 28.8435 4.0144 2.32408 2.46477 -3.46238 TIMING: 493800 CPU: 1553.87, 0.00318651/step Wall: 1553.87, 0.00318651/step, 3.98863 hours remaining, 235.382812 MB of memory in use. ENERGY: 493800 4024.6909 20689.1534 14512.6521 255.2782 -203515.3334 2633.7976 0.0000 0.0000 52059.2851 -109340.4762 299.1854 -161399.7613 -108979.0999 299.0828 -24.7383 -0.2152 762111.2565 5.9363 6.0021 PRESSURE: 494000 -379.416 -290.685 -34.6807 -290.685 -188.522 -389.606 -34.6802 -389.606 -172.851 GPRESSURE: 494000 -240.027 -292.364 14.4533 -145.676 -201.248 -357.336 -120.474 -312.422 -227.968 PRESSAVG: 494000 1.69114 -52.3544 34.5935 -52.3544 5.96166 -15.683 34.5935 -15.6829 28.92 GPRESSAVG: 494000 2.54737 -52.2878 34.1498 -52.5086 4.74952 -17.4462 35.0792 -14.7886 29.0494 TIMING: 494000 CPU: 1554.51, 0.00321188/step Wall: 1554.51, 0.00321188/step, 4.0202 hours remaining, 235.382812 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: 494000 4062.9724 20654.6677 14514.1696 241.4066 -202654.3494 2051.4381 0.0000 0.0000 51796.4413 -109333.2537 297.6749 -161129.6950 -108974.0156 299.1924 -246.9296 -223.0806 763325.4976 12.1909 12.1154 PRESSURE: 494200 -81.6376 -40.8408 130.521 -40.8416 -361.064 -8.63524 130.521 -8.63634 -406.233 GPRESSURE: 494200 -101.943 -38.7332 114.725 -68.6875 -273.295 -51.422 5.75375 0.770455 -386.153 PRESSAVG: 494200 -0.531747 -12.4204 24.7501 -12.4204 -16.8353 39.1376 24.75 39.1376 5.09706 GPRESSAVG: 494200 -1.13966 -15.944 25.9643 -13.2004 -16.9152 39.1198 21.6773 40.1311 6.2189 TIMING: 494200 CPU: 1555.15, 0.00319556/step Wall: 1555.15, 0.00319556/step, 3.9996 hours remaining, 235.382812 MB of memory in use. ENERGY: 494200 4081.0128 20525.2944 14561.2356 247.8053 -202924.8518 2383.9849 0.0000 0.0000 51941.2713 -109184.2475 298.5072 -161125.5188 -108823.2893 299.1828 -282.9783 -253.7970 762384.7122 -4.0900 -3.9453 PRESSURE: 494400 97.1147 -193.319 5.49645 -193.32 305.522 62.3817 5.49554 62.3819 -302.521 GPRESSURE: 494400 167.764 -191.118 -16.6179 -49.1364 317.166 56.3701 -40.2935 -15.3515 -288.007 PRESSAVG: 494400 -33.5975 -80.1161 47.1397 -80.1162 45.0407 1.80471 47.1397 1.80463 9.95251 GPRESSAVG: 494400 -34.2686 -78.951 47.8753 -77.1768 46.6568 2.69344 48.3992 0.753881 8.76372 TIMING: 494400 CPU: 1555.79, 0.00320476/step Wall: 1555.79, 0.00320476/step, 4.01093 hours remaining, 235.382812 MB of memory in use. ENERGY: 494400 4020.5019 20643.8390 14488.1110 244.7744 -203239.4426 2570.4387 0.0000 0.0000 52239.2058 -109032.5718 300.2194 -161271.7776 -108661.8505 299.6349 33.3718 65.6408 761884.5786 7.1319 7.0506 PRESSURE: 494600 -189.511 29.0139 -24.0866 29.0148 -614.823 -40.1955 -24.0865 -40.1961 -464.642 GPRESSURE: 494600 -169.472 28.2764 14.4894 73.4221 -582.074 60.206 76.2127 -70.1775 -449.78 PRESSAVG: 494600 6.12677 -20.2327 42.6865 -20.2327 22.9748 -10.7666 42.6865 -10.7666 18.1026 GPRESSAVG: 494600 5.87899 -17.8339 40.964 -21.0944 21.5085 -11.8655 46.381 -9.30547 19.6649 TIMING: 494600 CPU: 1556.44, 0.00324016/step Wall: 1556.44, 0.00324016/step, 4.05506 hours remaining, 235.382812 MB of memory in use. ENERGY: 494600 4039.4374 20659.3588 14561.9623 248.9051 -203223.2290 2572.8048 0.0000 0.0000 52136.1159 -109004.6447 299.6270 -161140.7606 -108649.5204 299.8765 -422.9919 -400.4420 761524.5529 15.7347 15.6841 PRESSURE: 494800 -132.623 59.2385 49.4346 59.2382 30.7212 106.84 49.4344 106.839 30.241 GPRESSURE: 494800 -104.869 26.7138 16.0475 7.91429 65.0454 252.21 95.6206 10.9171 46.4673 PRESSAVG: 494800 -50.5661 -34.112 26.2997 -34.1121 -30.9669 15.5999 26.2997 15.5999 1.10636 GPRESSAVG: 494800 -50.1949 -36.6228 26.2949 -34.2683 -29.6552 18.1622 23.3493 16.3836 0.0104425 TIMING: 494800 CPU: 1557.09, 0.00323024/step Wall: 1557.09, 0.00323024/step, 4.04247 hours remaining, 235.382812 MB of memory in use. ENERGY: 494800 3969.9891 20677.9737 14542.9239 252.9145 -202770.5640 2284.4108 0.0000 0.0000 51886.1840 -109156.1681 298.1906 -161042.3521 -108789.0954 299.5476 -23.8869 2.2145 763359.8354 -26.8089 -26.6132 PRESSURE: 495000 47.9315 115.976 -92.9282 115.977 311.099 -201.205 -92.9289 -201.206 146.264 GPRESSURE: 495000 50.3747 50.7872 -162.195 48.1821 384.705 -223.941 -150.077 -161.712 147.655 PRESSAVG: 495000 -37.9676 -68.3751 12.2808 -68.3752 22.9664 -3.36636 12.2807 -3.36631 33.0468 GPRESSAVG: 495000 -36.9334 -69.3671 11.6102 -66.6643 22.2896 -5.79974 11.6883 -3.88083 32.3556 TIMING: 495000 CPU: 1557.73, 0.00323868/step Wall: 1557.73, 0.00323868/step, 4.05285 hours remaining, 235.382812 MB of memory in use. ENERGY: 495000 3985.8504 20447.9187 14469.2165 248.9400 -202759.8679 2386.6474 0.0000 0.0000 52097.3948 -109123.9001 299.4044 -161221.2949 -108755.7414 299.2803 168.4315 194.2449 761775.5242 6.0152 5.9039 PRESSURE: 495200 -321.437 -83.0414 178.255 -83.0413 173.224 2.56059 178.254 2.56043 -201.215 GPRESSURE: 495200 -326.69 -21.7107 167.528 -55.5686 254.465 53.9644 113.24 -82.1992 -179.186 PRESSAVG: 495200 -55.3903 -38.628 29.6894 -38.628 71.6104 -11.5671 29.6894 -11.5671 1.06312 GPRESSAVG: 495200 -55.0953 -37.2498 32.1191 -39.0936 71.1171 -11.9278 29.2224 -10.9745 1.72239 TIMING: 495200 CPU: 1558.37, 0.00319482/step Wall: 1558.37, 0.00319482/step, 3.99779 hours remaining, 235.382812 MB of memory in use. ENERGY: 495200 4026.5744 20486.8294 14478.0683 251.1926 -202922.1316 2307.0027 0.0000 0.0000 52412.2068 -108960.2574 301.2137 -161372.4642 -108585.1364 299.7385 -116.4757 -83.8034 760664.8344 5.7611 5.9147 PRESSURE: 495400 -4.30266 93.5329 14.6886 93.5332 -190.926 18.5651 14.6882 18.5659 -377.678 GPRESSURE: 495400 42.0981 120.866 4.93453 82.6372 -200.025 -117.254 -11.9256 95.4521 -343.228 PRESSAVG: 495400 -47.7884 -50.6933 -9.10885 -50.6934 59.4031 22.8633 -9.10888 22.8633 16.6944 GPRESSAVG: 495400 -47.4422 -51.1485 -10.5267 -50.2514 59.0878 25.3756 -7.63113 21.6643 16.2851 TIMING: 495400 CPU: 1559.01, 0.00316685/step Wall: 1559.01, 0.00316685/step, 3.96261 hours remaining, 235.382812 MB of memory in use. ENERGY: 495400 4071.8295 20739.7466 14552.1587 249.0242 -202763.4189 2159.2697 0.0000 0.0000 51926.9477 -109064.4425 298.4249 -160991.3902 -108712.9760 300.0165 -190.9689 -167.0519 760643.9392 9.4364 9.3102 PRESSURE: 495600 25.6843 -15.4146 -81.7629 -15.414 -298.548 87.2374 -81.7633 87.236 175.567 GPRESSURE: 495600 72.5828 13.6019 -222.852 35.5366 -312.34 111.819 -23.1635 115.982 193.67 PRESSAVG: 495600 3.13866 -29.9313 24.6137 -29.9313 25.6646 -27.1137 24.6137 -27.1137 -15.0668 GPRESSAVG: 495600 2.04254 -29.8298 23.9119 -29.7977 25.9122 -29.2118 22.5853 -26.5277 -13.8741 TIMING: 495600 CPU: 1559.64, 0.00318281/step Wall: 1559.64, 0.00318281/step, 3.9824 hours remaining, 235.382812 MB of memory in use. ENERGY: 495600 4027.2784 20497.3909 14526.2075 265.5107 -202869.4077 2379.2739 0.0000 0.0000 52149.9810 -109023.7654 299.7067 -161173.7463 -108662.8826 299.4056 -32.4320 -15.3625 761494.3126 4.5788 4.6935 PRESSURE: 495800 -48.0628 20.0599 -0.353283 20.0605 -273.094 242.313 -0.354004 242.313 13.1106 GPRESSURE: 495800 -51.5123 -87.4644 -10.2219 -117.035 -293.366 223.024 24.0959 68.4194 111.09 PRESSAVG: 495800 3.25008 1.02615 -21.818 1.02613 16.9985 -22.3096 -21.818 -22.3096 21.5518 GPRESSAVG: 495800 3.14908 0.605833 -20.5796 -0.130868 17.5021 -21.2397 -19.2621 -24.316 21.5173 TIMING: 495800 CPU: 1560.28, 0.00318063/step Wall: 1560.28, 0.00318063/step, 3.9795 hours remaining, 235.382812 MB of memory in use. ENERGY: 495800 4045.8082 20484.4934 14541.2403 234.3046 -202874.6377 2326.0052 0.0000 0.0000 52014.5907 -109228.1954 298.9286 -161242.7860 -108857.5188 299.2388 -102.6819 -77.9294 762422.6773 13.9335 14.0562 PRESSURE: 496000 97.7592 -46.6411 263.041 -46.6418 367.452 -24.5249 263.041 -24.5249 -58.3338 GPRESSURE: 496000 257.732 -87.555 244.061 -59.062 295.66 -16.4879 196.621 182.54 -66.1732 PRESSAVG: 496000 -1.07914 -17.0745 -16.7334 -17.0745 4.78378 7.74974 -16.7334 7.74977 -2.93884 GPRESSAVG: 496000 0.18362 -16.0936 -16.9751 -19.066 4.44263 7.31672 -18.5756 9.47663 -3.5304 TIMING: 496000 CPU: 1560.92, 0.00320573/step Wall: 1560.92, 0.00320573/step, 4.01072 hours remaining, 235.382812 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: 496000 3910.1872 20491.3610 14587.1199 256.6441 -203198.8553 2705.1678 0.0000 0.0000 52007.5685 -109240.8067 298.8882 -161248.3752 -108884.9521 299.1123 135.6257 162.4061 762138.4184 0.2553 0.3653 PRESSURE: 496200 95.397 22.7336 -120.226 22.7331 -31.4865 312.321 -120.226 312.323 -176.253 GPRESSURE: 496200 163.822 -2.03534 -78.9248 -11.2984 -37.103 418.781 31.4498 149.816 -163.743 PRESSAVG: 496200 24.1661 -3.18198 -21.5235 -3.18204 -2.13062 53.6685 -21.5235 53.6685 1.95611 GPRESSAVG: 496200 23.9623 -5.41144 -21.8035 -1.29602 -2.42394 53.8092 -22.4108 53.5049 2.71932 TIMING: 496200 CPU: 1561.56, 0.00318603/step Wall: 1561.56, 0.00318603/step, 3.9859 hours remaining, 235.382812 MB of memory in use. ENERGY: 496200 3996.3237 20679.4838 14513.3628 250.0285 -203284.3616 2531.7960 0.0000 0.0000 52227.1245 -109086.2424 300.1500 -161313.3670 -108736.3012 299.2518 -37.4476 -12.3413 759731.2319 7.9972 8.0859 LDB: ============= START OF LOAD BALANCING ============== 1574.01 LDB: ============== END OF LOAD BALANCING =============== 1574.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1574.01 LDB: ============= START OF LOAD BALANCING ============== 1574.33 LDB: Largest compute 7076 load 0.036658 is 18.8% of average load 0.194970 LDB: Average compute 0.004406 is 2.3% of average load 0.194970 LDB: TIME 1574.33 LOAD: AVG 0.19497 MAX 0.213914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.691 MB LDB: TIME 1574.33 LOAD: AVG 0.19497 MAX 0.213914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: TIME 1574.33 LOAD: AVG 0.19497 MAX 0.213914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.895 MB LDB: ============== END OF LOAD BALANCING =============== 1574.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1574.34 PRESSURE: 496400 198.119 -90.7273 43.7704 -90.7279 -304.255 12.6059 43.7703 12.6053 181.944 GPRESSURE: 496400 196.067 -64.0052 -98.7678 35.2855 -164.529 43.6387 91.4821 -61.3749 133.508 PRESSAVG: 496400 19.4115 3.74447 -27.6474 3.74448 -17.7783 -43.3996 -27.6474 -43.3997 -11.2411 GPRESSAVG: 496400 19.5316 3.34529 -26.8366 3.67417 -15.9652 -42.8806 -25.5274 -45.5067 -12.3119 TIMING: 496400 CPU: 1562.2, 0.0032322/step Wall: 1562.2, 0.0032322/step, 4.04348 hours remaining, 235.949219 MB of memory in use. ENERGY: 496400 3974.7997 20571.5163 14508.9639 230.3505 -203176.8539 2559.9794 0.0000 0.0000 51910.9981 -109420.2459 298.3332 -161331.2440 -109056.3477 299.5946 25.2692 55.0155 761944.8136 -3.2026 -2.9152 PRESSURE: 496600 9.51906 -255.472 4.22235 -255.471 -219.562 123.361 4.22287 123.362 -208.948 GPRESSURE: 496600 -40.4224 -257.984 8.80489 -141.156 -155.778 186.925 -14.5165 130.43 -125.816 PRESSAVG: 496600 7.39856 -8.38032 -36.6507 -8.38027 -41.3247 12.7945 -36.6507 12.7945 -13.7501 GPRESSAVG: 496600 5.99542 -6.3159 -36.9501 -8.0524 -41.2549 12.8556 -38.4794 13.4856 -13.1219 TIMING: 496600 CPU: 1562.84, 0.00316742/step Wall: 1562.84, 0.00316742/step, 3.96227 hours remaining, 235.949219 MB of memory in use. ENERGY: 496600 4023.2346 20455.9885 14556.3133 240.5943 -203215.7874 2403.7618 0.0000 0.0000 52040.8732 -109495.0216 299.0796 -161535.8948 -109130.5913 299.0510 -139.6636 -107.3388 763781.7692 -15.8921 -16.1271 PRESSURE: 496800 29.33 -89.0586 -47.8745 -89.0593 -85.3309 -46.7012 -47.8743 -46.7021 157.178 GPRESSURE: 496800 -5.51926 17.8136 -104.112 -95.3825 10.6877 -61.6053 -106.019 18.9839 166.408 PRESSAVG: 496800 29.7695 -7.20502 6.98557 -7.20503 -13.4616 74.807 6.98557 74.807 -9.09234 GPRESSAVG: 496800 30.1707 -6.23482 5.95327 -8.42785 -14.1408 74.4897 6.94695 76.4321 -8.43571 TIMING: 496800 CPU: 1563.47, 0.00316085/step Wall: 1563.47, 0.00316085/step, 3.95388 hours remaining, 235.949219 MB of memory in use. ENERGY: 496800 4011.0922 20410.4647 14544.2656 271.9772 -203399.2941 2822.1315 0.0000 0.0000 51992.0944 -109347.2685 298.7993 -161339.3629 -108994.3263 299.7628 33.7259 57.1922 763989.3638 2.4052 2.5314 PRESSURE: 497000 -148.824 -57.5657 39.4166 -57.5664 -122.233 -198.629 39.4167 -198.628 316.499 GPRESSURE: 497000 -108.983 -90.3529 53.4978 -39.5585 -84.6804 -139.624 104.156 -241.997 313.999 PRESSAVG: 497000 -4.82656 -45.3345 -21.0877 -45.3345 -25.7018 31.7997 -21.0877 31.7997 6.61443 GPRESSAVG: 497000 -4.40037 -47.2341 -20.0361 -43.6704 -24.5622 31.3093 -20.5511 30.6631 5.41942 TIMING: 497000 CPU: 1564.1, 0.00316304/step Wall: 1564.1, 0.00316304/step, 3.95644 hours remaining, 235.949219 MB of memory in use. ENERGY: 497000 3939.5647 20347.1875 14495.4691 227.1067 -203422.7796 2881.7212 0.0000 0.0000 52141.7416 -109389.9887 299.6593 -161531.7303 -109016.9106 299.2293 15.1473 40.1119 762770.8803 -7.9713 -7.8477 PRESSURE: 497200 77.666 -58.8887 -49.1473 -58.8878 126.169 -69.9717 -49.1478 -69.973 153.965 GPRESSURE: 497200 153.358 -76.1998 46.1345 -86.2691 150.983 -42.8674 -46.537 -55.5297 137.387 PRESSAVG: 497200 21.0728 -38.6687 -7.94132 -38.6687 -23.7457 3.32793 -7.94128 3.32793 -9.1573 GPRESSAVG: 497200 20.4873 -36.8308 -7.18678 -38.6375 -23.0886 4.44947 -8.75143 1.30747 -8.82942 TIMING: 497200 CPU: 1564.74, 0.0031703/step Wall: 1564.74, 0.0031703/step, 3.96534 hours remaining, 235.949219 MB of memory in use. ENERGY: 497200 4011.4982 20432.2034 14528.6361 261.9775 -203243.2575 2753.2721 0.0000 0.0000 51787.2302 -109468.4401 297.6219 -161255.6703 -109105.0969 298.9819 119.2668 147.2426 761660.9652 -3.9434 -3.8102 PRESSURE: 497400 457.841 -26.7399 20.1508 -26.7396 309.875 -91.117 20.1502 -91.1178 230.927 GPRESSURE: 497400 547.527 48.237 75.4743 -17.0233 211.675 -63.0512 -79.9616 -63.9192 335.815 PRESSAVG: 497400 25.9991 -5.04281 28.8793 -5.04278 10.3159 35.5965 28.8793 35.5965 -5.06465 GPRESSAVG: 497400 26.9189 -8.10884 28.4999 -3.26209 8.30453 35.2788 29.0917 36.8728 -4.0009 TIMING: 497400 CPU: 1565.37, 0.00317376/step Wall: 1565.37, 0.00317376/step, 3.9695 hours remaining, 235.949219 MB of memory in use. ENERGY: 497400 3925.0996 20445.8802 14442.3900 240.9972 -203748.0448 2974.8237 0.0000 0.0000 52027.2560 -109691.5982 299.0014 -161718.8542 -109332.0271 298.8938 332.8810 365.0059 760447.9259 10.4168 10.4075 PRESSURE: 497600 -192.767 -89.964 66.1627 -89.9644 78.3663 107.097 66.1632 107.097 2.27836 GPRESSURE: 497600 -235.113 -37.1624 -60.8355 -98.3202 138.333 53.2758 56.5352 -117.004 69.702 PRESSAVG: 497600 -73.6373 -30.1968 -8.16625 -30.1968 32.4943 11.1107 -8.16622 11.1107 4.37307 GPRESSAVG: 497600 -74.0387 -26.9596 -10.6263 -33.1025 33.7065 10.5431 -6.80209 12.1039 3.5335 TIMING: 497600 CPU: 1566.01, 0.00318982/step Wall: 1566.01, 0.00318982/step, 3.9894 hours remaining, 235.949219 MB of memory in use. ENERGY: 497600 4030.1298 20545.3618 14499.3892 260.6838 -203777.3152 2676.0493 0.0000 0.0000 51985.0847 -109780.6166 298.7590 -161765.7014 -109415.6996 298.7585 -37.3741 -9.0262 760971.9942 -12.2566 -12.2663 PRESSURE: 497800 -95.2373 -174.328 -148.829 -174.329 -207.711 -169.183 -148.828 -169.184 70.1071 GPRESSURE: 497800 -90.2691 -193.744 -127.593 -120.251 -170.433 -195.32 -163.263 -136.349 113.877 PRESSAVG: 497800 -36.0011 -49.3953 -4.21255 -49.3953 9.95461 29.9835 -4.2126 29.9835 7.09281 GPRESSAVG: 497800 -36.0363 -51.3304 -1.58198 -47.0096 9.73465 29.5515 -3.97552 27.5323 7.19633 TIMING: 497800 CPU: 1566.64, 0.00318008/step Wall: 1566.64, 0.00318008/step, 3.97705 hours remaining, 235.949219 MB of memory in use. ENERGY: 497800 3974.4673 20487.4057 14460.2401 225.1529 -203313.1013 2435.7204 0.0000 0.0000 52240.9321 -109489.1828 300.2294 -161730.1150 -109125.8736 298.9261 -77.6138 -48.9417 760280.1322 -6.3179 -6.3684 PRESSURE: 498000 58.5297 -72.079 107.664 -72.0785 277.158 0.225097 107.664 0.225013 148.211 GPRESSURE: 498000 109.255 4.87453 119.422 -121.059 241.444 2.5772 134.327 -7.70976 226.831 PRESSAVG: 498000 -10.7832 -28.2584 -17.1881 -28.2584 -14.1869 -14.2228 -17.1882 -14.2228 14.0452 GPRESSAVG: 498000 -10.7937 -28.0417 -17.8376 -28.4816 -14.4572 -12.5154 -16.4529 -13.8429 14.0275 TIMING: 498000 CPU: 1567.28, 0.00316335/step Wall: 1567.28, 0.00316335/step, 3.95594 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: 498000 3991.9212 20655.3474 14377.7751 270.7051 -203611.4899 2688.5619 0.0000 0.0000 52081.3248 -109545.8544 299.3121 -161627.1791 -109189.9484 299.4607 161.2994 192.5100 758928.8097 -3.6416 -3.7411 PRESSURE: 498200 -75.9116 -223.017 -240.336 -223.017 -31.9516 -60.0495 -240.335 -60.05 -158.785 GPRESSURE: 498200 -19.2528 -281.286 -166.6 -213.908 11.7661 -82.4805 -284.011 13.3506 -178.582 PRESSAVG: 498200 -8.06089 -57.9449 20.5463 -57.9449 29.756 9.31323 20.5462 9.31321 20.1663 GPRESSAVG: 498200 -8.1713 -57.9637 21.3677 -59.9789 30.8404 7.9334 18.8126 10.7772 18.9679 TIMING: 498200 CPU: 1567.91, 0.00316588/step Wall: 1567.91, 0.00316588/step, 3.95893 hours remaining, 235.949219 MB of memory in use. ENERGY: 498200 3975.7124 20615.5333 14465.9599 261.4099 -203766.2148 2816.9269 0.0000 0.0000 52181.9942 -109448.6783 299.8906 -161630.6725 -109087.3647 299.4068 -88.8828 -62.0229 760575.8320 13.9538 13.8790 PRESSURE: 498400 -288.036 110.711 187.837 110.71 -69.2558 26.2934 187.837 26.2936 -8.44675 GPRESSURE: 498400 -303.672 100.612 112.19 79.1295 61.4042 2.24819 154.677 -57.152 -46.9642 PRESSAVG: 498400 -2.64245 -70.9549 -11.6505 -70.9549 25.7892 -6.57261 -11.6505 -6.57252 0.415782 GPRESSAVG: 498400 -2.48951 -71.331 -11.1902 -69.1137 24.2148 -6.44582 -10.4797 -8.14522 1.08251 TIMING: 498400 CPU: 1568.54, 0.00314196/step Wall: 1568.54, 0.00314196/step, 3.92885 hours remaining, 235.949219 MB of memory in use. ENERGY: 498400 4040.5429 20524.6538 14536.4299 268.1429 -203576.3159 2719.1247 0.0000 0.0000 52031.7525 -109455.6690 299.0272 -161487.4215 -109088.1657 299.3383 -121.9130 -96.4106 760874.5105 7.8542 7.6026 PRESSURE: 498600 -126.532 -93.0644 -107.257 -93.0643 -69.1799 -55.2488 -107.257 -55.2482 -118.654 GPRESSURE: 498600 -59.0294 -141.925 -114.716 -73.9246 -51.1585 -59.3389 -41.6791 -154.903 -109.408 PRESSAVG: 498600 -3.69036 15.9546 -28.358 15.9546 -13.0401 12.13 -28.358 12.13 -3.24847 GPRESSAVG: 498600 -4.66028 14.0654 -30.9966 13.7709 -12.3888 11.4306 -26.7518 13.4342 -3.41394 TIMING: 498600 CPU: 1569.17, 0.00318184/step Wall: 1569.17, 0.00318184/step, 3.97854 hours remaining, 235.949219 MB of memory in use. ENERGY: 498600 3938.5937 20653.1344 14474.9048 271.0542 -203334.5478 2382.1216 0.0000 0.0000 52296.3105 -109318.4287 300.5476 -161614.7392 -108952.6414 299.2653 -104.7886 -73.1986 759992.2427 -6.6597 -6.8210 PRESSURE: 498800 275.146 -8.10731 145.688 -8.10775 24.1141 40.7022 145.688 40.7018 -84.2343 GPRESSURE: 498800 206.743 -4.93828 53.0133 -56.8999 144.605 -12.1734 92.5805 93.9485 -60.9554 PRESSAVG: 498800 28.3034 -50.5558 -87.5693 -50.5558 32.7498 -18.9537 -87.5693 -18.9538 6.11265 GPRESSAVG: 498800 27.1272 -47.0617 -87.8656 -51.2593 32.3754 -19.436 -88.3186 -19.4731 7.59766 TIMING: 498800 CPU: 1569.8, 0.00314032/step Wall: 1569.8, 0.00314032/step, 3.92645 hours remaining, 235.949219 MB of memory in use. ENERGY: 498800 3961.1459 20548.0438 14470.8104 260.6249 -203540.7688 2860.1439 0.0000 0.0000 52086.4585 -109353.5414 299.3416 -161439.9999 -109002.6375 299.1805 71.6752 96.7975 759350.3347 22.3886 22.3667 PRESSURE: 499000 355.933 -20.3535 -12.5726 -20.3525 -163.741 25.1089 -12.5735 25.1092 -57.8151 GPRESSURE: 499000 459.129 -104.202 -46.8302 -125.519 -104.574 43.2693 -41.3435 54.8011 -162.213 PRESSAVG: 499000 33.2879 -10.5447 13.0379 -10.5447 -27.3957 6.04362 13.0379 6.04363 9.94994 GPRESSAVG: 499000 33.3782 -13.8369 15.0748 -9.36642 -26.7924 8.50411 11.1593 6.52791 8.65929 TIMING: 499000 CPU: 1570.43, 0.00314457/step Wall: 1570.43, 0.00314457/step, 3.93158 hours remaining, 235.949219 MB of memory in use. ENERGY: 499000 4032.6395 20617.2087 14460.1709 251.1080 -203509.3748 2722.8916 0.0000 0.0000 52118.5091 -109306.8470 299.5258 -161425.3562 -108943.1590 299.2999 44.7925 64.1140 761709.7734 5.2807 5.0817 PRESSURE: 499200 -624.99 -199.308 -54.0875 -199.308 -255.787 -230.305 -54.0883 -230.304 -99.044 GPRESSURE: 499200 -564.245 -111.051 -94.7037 -191.261 -232.276 -109.667 -68.2356 -155.132 -104.727 PRESSAVG: 499200 2.47472 -44.637 19.3861 -44.6371 49.9963 -26.3193 19.386 -26.3193 -6.84825 GPRESSAVG: 499200 1.42962 -41.5784 19.4101 -44.3085 50.7619 -26.9818 19.6058 -26.6322 -6.7089 TIMING: 499200 CPU: 1571.07, 0.00316631/step Wall: 1571.07, 0.00316631/step, 3.9586 hours remaining, 235.949219 MB of memory in use. ENERGY: 499200 3996.6892 20417.7951 14533.9849 231.7304 -203207.0237 2498.0968 0.0000 0.0000 52197.2117 -109331.5155 299.9781 -161528.7272 -108973.1459 299.7690 -326.6073 -300.4160 762216.3577 15.2076 15.1609 PRESSURE: 499400 -435.195 64.9226 -149.8 64.9224 -279.819 262.29 -149.8 262.29 177.132 GPRESSURE: 499400 -366.943 90.8522 -78.4631 180.788 -304.587 170.399 -77.5596 342.187 211.672 PRESSAVG: 499400 -13.6428 -86.4554 -21.5229 -86.4553 17.4373 -29.3935 -21.5229 -29.3935 1.53258 GPRESSAVG: 499400 -11.4425 -85.4422 -22.0042 -87.4776 16.0441 -30.4794 -19.2226 -28.9437 1.76051 TIMING: 499400 CPU: 1571.69, 0.00313307/step Wall: 1571.69, 0.00313307/step, 3.91686 hours remaining, 235.949219 MB of memory in use. ENERGY: 499400 3963.5396 20732.9640 14462.4953 247.7981 -203417.6647 2768.1336 0.0000 0.0000 52102.4949 -109140.2392 299.4338 -161242.7341 -108779.4264 299.7715 -179.2940 -153.2859 761641.7315 1.7757 2.1207 PRESSURE: 499600 -166.252 -128.255 383.679 -128.255 348.189 58.5089 383.679 58.5071 97.9812 GPRESSURE: 499600 -118.971 -154.872 328.062 -146.172 325.675 -0.159226 285.198 178.234 158.536 PRESSAVG: 499600 -28.2563 -32.8198 6.09865 -32.8199 -14.0007 -22.3704 6.09865 -22.3704 -18.287 GPRESSAVG: 499600 -28.8886 -34.348 7.87381 -32.8804 -12.2878 -20.807 3.23806 -21.9401 -19.3962 TIMING: 499600 CPU: 1572.32, 0.00313973/step Wall: 1572.32, 0.00313973/step, 3.92501 hours remaining, 235.949219 MB of memory in use. ENERGY: 499600 3963.3141 20787.9348 14465.1375 239.6086 -203372.5954 2532.9948 0.0000 0.0000 52113.9860 -109269.6196 299.4998 -161383.6055 -108905.6141 299.7707 93.3062 121.7468 761826.1892 -20.1813 -20.1909 PRESSURE: 499800 -414.519 129.73 3.56853 129.73 -202.956 81.2712 3.56736 81.2707 -47.9273 GPRESSURE: 499800 -317.821 180.165 12.8372 104.714 -177.905 71.3174 -113.676 134.533 -103.11 PRESSAVG: 499800 23.9123 -45.4121 -40.1102 -45.4122 -13.6848 -37.305 -40.1102 -37.3051 22.8034 GPRESSAVG: 499800 22.8391 -44.1156 -41.868 -45.3376 -14.2487 -37.892 -39.2293 -35.3568 24.0607 TIMING: 499800 CPU: 1572.95, 0.00313491/step Wall: 1572.95, 0.00313491/step, 3.91881 hours remaining, 235.949219 MB of memory in use. ENERGY: 499800 4031.6102 20647.7777 14513.2215 250.1686 -203093.4183 2499.4065 0.0000 0.0000 52070.8346 -109080.3991 299.2518 -161151.2337 -108720.0295 299.7697 -221.8007 -199.6118 762915.2486 11.0103 10.8837 PRESSURE: 500000 -9.65386 -64.7313 28.6043 -64.732 -222.474 164.831 28.6049 164.831 -25.1581 GPRESSURE: 500000 54.5568 -122.728 22.0505 -49.2876 -269.759 218.722 249.454 201.473 33.9013 PRESSAVG: 500000 50.2922 -3.89298 -15.736 -3.89298 -41.1427 17.0959 -15.736 17.0959 -24.7611 GPRESSAVG: 500000 52.271 -6.54767 -14.2176 -1.4683 -41.1479 19.0489 -15.2586 14.1057 -26.5452 TIMING: 500000 CPU: 1573.58, 0.00314375/step Wall: 1573.58, 0.00314375/step, 3.92968 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: 500000 4048.5657 20684.3210 14554.9852 254.1917 -203152.0470 2434.8966 0.0000 0.0000 52016.8609 -109158.2259 298.9416 -161175.0868 -108793.0159 300.1601 -85.7621 -60.4337 762134.8748 -5.2039 -5.1407 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.013 seconds, 235.949 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.005 seconds, 235.949 MB of memory in use PRESSURE: 500200 -159.711 99.4355 48.4638 99.4352 10.3474 -69.5413 48.4641 -69.5415 377.624 GPRESSURE: 500200 -124.6 97.4141 28.7987 33.1646 47.8075 -94.3738 115.698 -28.2392 390.171 PRESSAVG: 500200 15.4771 -23.3583 -7.33618 -23.3583 -57.4346 -46.5872 -7.33616 -46.5873 22.9605 GPRESSAVG: 500200 14.7191 -22.7393 -7.27327 -23.7253 -57.3782 -51.0731 -7.6126 -45.9529 23.2631 TIMING: 500200 CPU: 1574.22, 0.00324462/step Wall: 1574.22, 0.00324462/step, 4.0556 hours remaining, 235.949219 MB of memory in use. ENERGY: 500200 4001.1748 20772.3507 14516.2852 235.6899 -203193.7048 2596.7021 0.0000 0.0000 51939.0358 -109132.4664 298.4944 -161071.5022 -108774.9802 299.8797 76.0869 104.4596 762405.3693 -6.3323 -6.4653 LDB: ============= START OF LOAD BALANCING ============== 1586.67 LDB: ============== END OF LOAD BALANCING =============== 1586.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1586.68 LDB: ============= START OF LOAD BALANCING ============== 1586.99 LDB: Largest compute 7057 load 0.033839 is 17.4% of average load 0.194973 LDB: Average compute 0.004379 is 2.2% of average load 0.194973 LDB: TIME 1586.99 LOAD: AVG 0.194973 MAX 0.213298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.805 MB LDB: TIME 1586.99 LOAD: AVG 0.194973 MAX 0.213298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: TIME 1586.99 LOAD: AVG 0.194973 MAX 0.213298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: ============== END OF LOAD BALANCING =============== 1587 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1587 PRESSURE: 500400 58.737 -109.839 95.735 -109.84 -294.073 121.7 95.7345 121.701 -387.768 GPRESSURE: 500400 117.791 -112.811 46.5882 -54.6976 -290.994 40.212 45.8331 153.49 -383.835 PRESSAVG: 500400 38.5103 6.02944 13.8232 6.02952 11.5313 35.2254 13.8231 35.2253 6.58851 GPRESSAVG: 500400 40.7272 5.74622 13.9823 4.34157 8.52299 37.2972 11.9395 34.8686 7.06547 TIMING: 500400 CPU: 1574.87, 0.00320838/step Wall: 1574.87, 0.00320838/step, 4.01012 hours remaining, 234.535156 MB of memory in use. ENERGY: 500400 4049.0688 20568.0126 14540.3151 224.6366 -203217.1558 2516.6890 0.0000 0.0000 52240.8621 -109077.5716 300.2290 -161318.4338 -108721.9332 300.1227 -207.7015 -185.6794 762832.6080 18.8767 18.7719 PRESSURE: 500600 -77.232 -59.5382 -530.838 -59.5386 -163.41 -109.177 -530.838 -109.176 -60.3486 GPRESSURE: 500600 -103.581 -51.2323 -409.13 -80.8203 -19.0628 -169.839 -408.124 23.8736 -89.7419 PRESSAVG: 500600 29.2368 -40.8687 -24.2273 -40.8686 -36.9791 8.17814 -24.2273 8.17807 -0.723279 GPRESSAVG: 500600 27.0822 -42.4257 -24.9052 -37.337 -35.0058 9.45656 -22.292 7.22777 -0.947721 TIMING: 500600 CPU: 1575.5, 0.00315939/step Wall: 1575.5, 0.00315939/step, 3.94871 hours remaining, 234.738281 MB of memory in use. ENERGY: 500600 3929.6289 20584.7129 14495.2287 242.9065 -202987.8131 2537.0648 0.0000 0.0000 52175.9200 -109022.3514 299.8557 -161198.2714 -108660.4672 299.8488 -100.3304 -70.7952 763626.7430 -2.8219 -2.9571 PRESSURE: 500800 267.731 13.438 -4.07623 13.4377 266.955 -13.6243 -4.0765 -13.6239 4.26419 GPRESSURE: 500800 276.689 -1.92652 -64.8337 25.9683 311.645 -5.8415 -35.1863 53.9603 21.106 PRESSAVG: 500800 36.2747 46.7406 1.33957 46.7406 -5.61486 18.2859 1.33961 18.286 2.18619 GPRESSAVG: 500800 36.4411 48.3741 1.32705 44.1933 -5.13519 16.0342 -0.220247 18.5752 1.26742 TIMING: 500800 CPU: 1576.13, 0.00314679/step Wall: 1576.13, 0.00314679/step, 3.93279 hours remaining, 234.738281 MB of memory in use. ENERGY: 500800 4067.4957 20626.0970 14534.2369 226.5862 -203404.4380 2675.7451 0.0000 0.0000 52336.4209 -108937.8561 300.7781 -161274.2770 -108572.1556 300.3584 179.6499 203.1466 762183.8221 10.9487 10.8578 PRESSURE: 501000 30.1468 9.9572 -22.7288 9.95667 -30.4441 -42.6003 -22.7282 -42.5998 -304.638 GPRESSURE: 501000 70.3529 17.5026 -7.36863 108.757 7.58965 -40.299 -76.536 19.8499 -296.58 PRESSAVG: 501000 26.8293 37.1384 29.3146 37.1383 6.7231 -66.5754 29.3147 -66.5754 21.1181 GPRESSAVG: 501000 27.4795 36.2401 29.9868 35.0279 6.33488 -64.1431 28.4267 -67.748 21.7456 TIMING: 501000 CPU: 1576.75, 0.00313312/step Wall: 1576.75, 0.00313312/step, 3.91554 hours remaining, 234.738281 MB of memory in use. ENERGY: 501000 3992.3068 20704.6700 14459.9820 238.4362 -203210.7093 2557.9010 0.0000 0.0000 52316.0706 -108941.3427 300.6612 -161257.4133 -108582.8809 299.6748 -101.6451 -72.8790 762775.2375 18.2235 18.5200 PRESSURE: 501200 223.352 -120.346 2.13681 -120.347 62.1649 166.358 2.13689 166.358 284.047 GPRESSURE: 501200 279.459 -115.702 25.8942 -82.7498 81.4736 120.99 72.4724 232.202 285.604 PRESSAVG: 501200 10.6738 -8.37929 11.62 -8.37926 -29.8632 83.2595 11.62 83.2595 13.5439 GPRESSAVG: 501200 9.68445 -7.50922 12.0992 -8.60326 -29.7393 81.5015 13.3362 85.1134 15.2886 TIMING: 501200 CPU: 1577.38, 0.00312847/step Wall: 1577.38, 0.00312847/step, 3.90955 hours remaining, 234.738281 MB of memory in use. ENERGY: 501200 3919.8217 20558.8137 14529.1627 243.7708 -203159.2902 2649.2977 0.0000 0.0000 52005.6469 -109252.7768 298.8772 -161258.4237 -108900.2657 299.6493 189.8546 215.5120 764068.9068 -1.8818 -1.5887 PRESSURE: 501400 -225.121 -207.158 171.919 -207.158 8.52732 -156.931 171.919 -156.93 -181.765 GPRESSURE: 501400 -210.073 -200.414 198.636 -141.629 46.4152 -142.303 164.925 -200.115 -170.118 PRESSAVG: 501400 -68.556 -23.044 44.2165 -23.044 50.2116 29.5259 44.2165 29.5259 -16.2115 GPRESSAVG: 501400 -67.4629 -21.2635 43.3352 -20.3699 50.4609 30.2377 44.2134 30.6903 -17.5995 TIMING: 501400 CPU: 1578.01, 0.00312896/step Wall: 1578.01, 0.00312896/step, 3.90998 hours remaining, 234.941406 MB of memory in use. ENERGY: 501400 3975.9238 20622.6030 14483.5021 247.9025 -203163.2802 2721.7165 0.0000 0.0000 51780.3976 -109331.2348 297.5827 -161111.6324 -108976.6239 299.3872 -132.7862 -111.2585 762294.3470 -11.5187 -11.5339 PRESSURE: 501600 -0.53817 126.677 105.553 126.676 119.503 8.92209 105.553 8.92233 0.908546 GPRESSURE: 501600 33.7761 39.4668 74.9899 7.97002 139.379 95.8757 152.684 128.933 31.4777 PRESSAVG: 501600 43.7364 -3.41267 30.9219 -3.41266 -26.1279 18.7872 30.9219 18.7872 33.2626 GPRESSAVG: 501600 43.9186 -6.12683 29.7686 -3.25799 -26.3563 17.8869 31.7966 18.3548 33.0683 TIMING: 501600 CPU: 1578.64, 0.00316904/step Wall: 1578.64, 0.00316903/step, 3.95988 hours remaining, 234.941406 MB of memory in use. ENERGY: 501600 4025.8738 20567.4476 14528.0020 252.2745 -203355.9744 2737.0014 0.0000 0.0000 51843.2583 -109402.1168 297.9439 -161245.3751 -109039.6636 299.4546 39.9577 68.2111 761232.2999 16.9570 16.8769 PRESSURE: 501800 258.12 51.0844 140.707 51.084 41.9393 4.3176 140.708 4.31827 -37.7953 GPRESSURE: 501800 269.506 118.625 87.4407 -15.6644 62.5235 -109.748 105.754 91.2377 4.32835 PRESSAVG: 501800 -18.2282 37.1217 0.278055 37.1217 4.13018 30.753 0.278074 30.7532 15.9617 GPRESSAVG: 501800 -19.3468 37.3959 1.11373 34.8759 3.79661 31.8549 -1.14874 31.5129 16.7197 TIMING: 501800 CPU: 1579.27, 0.00317172/step Wall: 1579.27, 0.00317172/step, 3.96307 hours remaining, 234.941406 MB of memory in use. ENERGY: 501800 3965.0265 20675.5737 14408.7553 251.1990 -203397.1599 2711.8712 0.0000 0.0000 51808.0063 -109576.7278 297.7413 -161384.7341 -109225.2528 299.1775 87.4213 112.1193 762843.9027 0.6212 0.3898 PRESSURE: 502000 -293.957 15.8049 -52.6098 15.8046 181.692 236.858 -52.6104 236.858 -83.6127 GPRESSURE: 502000 -231.212 -179.758 29.0614 -25.4673 175.887 208.089 28.5143 184.153 -49.1037 PRESSAVG: 502000 8.40265 -7.41471 30.0582 -7.41472 -12.8684 78.3282 30.0581 78.3283 13.9406 GPRESSAVG: 502000 8.01535 -8.33111 29.5458 -5.42306 -12.2406 77.5008 30.4864 75.8391 13.4717 TIMING: 502000 CPU: 1579.91, 0.00315802/step Wall: 1579.91, 0.00315802/step, 3.94577 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: 502000 3996.2370 20452.4214 14510.4841 241.6629 -203199.6395 2575.0188 0.0000 0.0000 51821.7303 -109602.0851 297.8202 -161423.8154 -109245.3680 298.7686 -65.2925 -34.8097 763384.3877 3.1583 3.0821 PRESSURE: 502200 -18.8333 -111.709 123.462 -111.709 156.812 248.678 123.46 248.678 19.0803 GPRESSURE: 502200 22.2465 -22.066 39.0552 -196.38 138.632 284.057 82.9378 291.877 75.5081 PRESSAVG: 502200 24.8369 -11.0308 33.0374 -11.0308 -58.0002 55.0168 33.0374 55.0167 -30.64 GPRESSAVG: 502200 25.4324 -7.60275 32.9818 -12.8273 -59.7941 56.6308 32.471 55.5115 -29.8575 TIMING: 502200 CPU: 1580.54, 0.00317543/step Wall: 1580.54, 0.00317543/step, 3.96735 hours remaining, 234.941406 MB of memory in use. ENERGY: 502200 3920.0890 20416.9398 14474.3998 240.5409 -203985.6815 2977.7178 0.0000 0.0000 52179.4711 -109776.5230 299.8761 -161955.9941 -109411.9511 298.4479 52.3529 78.7957 762186.4482 -21.2678 -21.4064 PRESSURE: 502400 -277.654 -104.859 -8.96579 -104.859 -195.738 125.501 -8.96556 125.5 -251.467 GPRESSURE: 502400 -235.595 -174.732 79.4358 -95.1099 -223.964 51.2378 30.9198 159.989 -171.71 PRESSAVG: 502400 49.2475 -23.5265 6.59768 -23.5266 23.9699 31.717 6.59762 31.7171 14.7189 GPRESSAVG: 502400 50.2573 -27.4105 7.23551 -23.4346 24.0581 30.9622 8.32832 31.974 13.9813 TIMING: 502400 CPU: 1581.17, 0.00315086/step Wall: 1581.17, 0.00315086/step, 3.93648 hours remaining, 234.941406 MB of memory in use. ENERGY: 502400 4004.6872 20379.3252 14445.5480 232.1521 -203081.0199 2444.2786 0.0000 0.0000 51960.2972 -109614.7316 298.6165 -161575.0288 -109256.4307 298.6890 -241.6194 -210.4228 762398.9457 29.3121 29.4323 PRESSURE: 502600 310.711 30.1268 40.4781 30.1272 269.576 -63.4367 40.4781 -63.4365 -61.9519 GPRESSURE: 502600 262.723 125.845 73.8923 52.0283 369.672 -62.7633 91.9806 -240.703 -33.4324 PRESSAVG: 502600 -19.0293 -20.1014 29.4209 -20.1015 21.3859 -10.7447 29.4209 -10.7447 11.9558 GPRESSAVG: 502600 -19.1497 -19.5769 30.0766 -17.4663 21.6622 -12.0995 26.4173 -10.3519 11.2679 TIMING: 502600 CPU: 1581.8, 0.00316609/step Wall: 1581.8, 0.00316609/step, 3.95532 hours remaining, 234.941406 MB of memory in use. ENERGY: 502600 3984.4704 20428.6329 14523.0449 255.6826 -203266.6868 2633.9462 0.0000 0.0000 51871.4079 -109569.5019 298.1057 -161440.9098 -109209.3863 298.8451 172.7785 199.6544 762416.8234 4.7708 4.5935 PRESSURE: 502800 92.685 -104.828 -135.818 -104.828 128.689 28.2563 -135.818 28.2576 107.204 GPRESSURE: 502800 189.354 -144.726 -158.497 -5.83103 68.1734 6.95367 -140.095 -35.094 174.63 PRESSAVG: 502800 42.6072 -5.248 13.1301 -5.24796 -23.4169 2.23389 13.1301 2.23384 11.2093 GPRESSAVG: 502800 41.4464 -4.70484 11.7465 -6.25503 -22.6661 3.5008 15.1411 2.16972 11.8645 TIMING: 502800 CPU: 1582.44, 0.0031773/step Wall: 1582.44, 0.0031773/step, 3.96915 hours remaining, 234.941406 MB of memory in use. ENERGY: 502800 3999.8604 20433.5782 14492.7315 249.8416 -203099.3251 2519.3333 0.0000 0.0000 51977.5406 -109426.4396 298.7156 -161403.9802 -109066.4190 298.8022 109.5261 144.0525 762107.5911 10.1332 10.2149 PRESSURE: 503000 75.1822 -316.831 73.0857 -316.832 -124.227 -153.356 73.0864 -153.357 371.281 GPRESSURE: 503000 134.042 -259.963 110.791 -365.87 -80.5252 -250.447 13.8797 -146.305 331.838 PRESSAVG: 503000 -17.6504 -38.4178 14.3893 -38.4178 6.5134 38.954 14.3893 38.9541 9.0592 GPRESSAVG: 503000 -16.8914 -37.4014 17.032 -37.9995 6.36386 38.6274 13.6242 38.7949 7.98617 TIMING: 503000 CPU: 1583.07, 0.00317087/step Wall: 1583.07, 0.00317087/step, 3.96095 hours remaining, 234.941406 MB of memory in use. ENERGY: 503000 4035.3098 20626.8134 14523.5256 257.8642 -203147.6459 2603.9981 0.0000 0.0000 51883.9190 -109216.2157 298.1776 -161100.1347 -108866.3031 298.6993 107.4123 128.4514 762865.5588 -0.6926 -0.8471 PRESSURE: 503200 -58.2716 61.916 -9.69267 61.9164 228.721 233.425 -9.69227 233.425 -165.074 GPRESSURE: 503200 -12.0561 -31.0172 41.7354 -49.6955 177.972 204.808 -115.888 176.967 -93.0476 PRESSAVG: 503200 -26.7011 -28.0095 25.9984 -28.0094 -33.2006 20.4263 25.9984 20.4262 -0.297117 GPRESSAVG: 503200 -26.6764 -29.3138 24.5455 -30.4811 -35.1895 20.1367 28.1511 19.0669 1.30056 TIMING: 503200 CPU: 1583.7, 0.00315709/step Wall: 1583.7, 0.00315709/step, 3.94356 hours remaining, 234.941406 MB of memory in use. ENERGY: 503200 4014.5341 20528.0630 14503.7548 247.7954 -203109.7687 2504.8866 0.0000 0.0000 52046.8900 -109263.8448 299.1142 -161310.7347 -108914.9538 299.0886 1.7919 24.2896 762817.1893 -20.0663 -20.1884 PRESSURE: 503400 -106.632 87.2172 157.267 87.2179 -505.983 -61.5475 157.267 -61.5471 -63.9385 GPRESSURE: 503400 -46.3628 104.1 165.333 134.829 -393.674 23.6222 161.878 56.9475 -132.781 PRESSAVG: 503400 -27.2593 -36.0064 28.219 -36.0065 -11.1384 -8.60229 28.219 -8.60226 4.2086 GPRESSAVG: 503400 -28.4015 -34.9664 28.0516 -35.9491 -9.46041 -7.38368 27.8505 -7.03442 3.99111 TIMING: 503400 CPU: 1584.34, 0.00316579/step Wall: 1584.34, 0.00316579/step, 3.95425 hours remaining, 234.941406 MB of memory in use. ENERGY: 503400 4042.6759 20372.1983 14478.0134 255.8689 -203217.8101 2410.0691 0.0000 0.0000 52215.8489 -109443.1355 300.0852 -161658.9845 -109088.0503 298.5978 -225.5177 -190.9393 762637.3382 -11.3964 -11.2903 PRESSURE: 503600 78.5901 65.5082 20.6894 65.5084 -346.005 -41.2544 20.6903 -41.2544 223.965 GPRESSURE: 503600 152.757 -41.0937 -10.893 158.652 -347.451 -41.6748 51.7063 -73.4199 257.111 PRESSAVG: 503600 27.7552 -20.0165 38.8369 -20.0165 -13.7432 4.76987 38.8369 4.76984 7.58335 GPRESSAVG: 503600 28.7404 -21.3039 38.7289 -18.2666 -13.8564 3.01248 37.4172 3.31629 6.87868 TIMING: 503600 CPU: 1584.97, 0.00315506/step Wall: 1584.97, 0.00315506/step, 3.94067 hours remaining, 234.941406 MB of memory in use. ENERGY: 503600 3997.7127 20407.8547 14485.2512 260.1208 -203606.0607 2828.0547 0.0000 0.0000 52100.0013 -109527.0653 299.4194 -161627.0666 -109155.3506 298.7432 -14.4833 20.8057 763913.5716 7.1985 7.2542 PRESSURE: 503800 -21.9527 -96.6216 -18.1721 -96.621 310.279 -55.0962 -18.1721 -55.0975 -68.3344 GPRESSURE: 503800 9.30471 -94.7839 55.5227 -146.384 284.888 40.1072 -161.247 39.5137 9.31478 PRESSAVG: 503800 27.4106 37.2988 -6.51557 37.2988 -38.8046 53.3293 -6.51568 53.3293 -24.5623 GPRESSAVG: 503800 28.1154 37.6791 -7.05369 37.3753 -40.2706 55.177 -6.54565 55.2565 -24.3399 TIMING: 503800 CPU: 1585.6, 0.00315101/step Wall: 1585.6, 0.00315101/step, 3.93544 hours remaining, 234.941406 MB of memory in use. ENERGY: 503800 3974.0666 20420.3708 14472.6345 241.6484 -203473.2362 2792.7744 0.0000 0.0000 51832.4502 -109739.2912 297.8818 -161571.7414 -109385.9703 298.2904 73.3306 101.1690 762376.4493 -11.9854 -12.1650 PRESSURE: 504000 28.0468 19.8436 37.5202 19.8443 74.5301 374.599 37.5203 374.598 184.101 GPRESSURE: 504000 49.3811 9.97994 -49.2874 -124.404 100.283 335.681 -29.6373 307.836 204.673 PRESSAVG: 504000 -10.4488 66.6413 34.3174 66.6413 -7.71427 -4.36693 34.3175 -4.36695 3.13508 GPRESSAVG: 504000 -10.8652 66.7233 35.8576 64.8451 -7.40131 -5.63964 36.0588 -4.93248 3.00433 TIMING: 504000 CPU: 1586.23, 0.00315315/step Wall: 1586.23, 0.00315315/step, 3.93793 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: 504000 4003.8042 20387.2419 14430.7915 228.9556 -203421.3523 2666.3096 0.0000 0.0000 51900.1305 -109804.1191 298.2708 -161704.2496 -109441.3302 298.4363 95.5594 118.1125 761738.2143 -5.0093 -5.0874 PRESSURE: 504200 -204.063 25.4689 76.7785 25.4688 -21.5483 95.7062 76.7788 95.706 424.34 GPRESSURE: 504200 -63.7703 -94.5729 58.5008 -52.853 -93.1393 116.826 -32.4468 -6.82649 437.1 PRESSAVG: 504200 14.8615 9.35571 -15.4314 9.35571 -38.1386 -15.0056 -15.4314 -15.0055 -23.1401 GPRESSAVG: 504200 14.4701 8.52153 -17.0228 10.8886 -36.7897 -15.0543 -16.0532 -16.3217 -23.635 TIMING: 504200 CPU: 1586.86, 0.00316142/step Wall: 1586.86, 0.00316142/step, 3.94809 hours remaining, 234.941406 MB of memory in use. ENERGY: 504200 4002.9877 20446.2869 14405.4006 251.5546 -203759.7141 2920.8229 0.0000 0.0000 51939.4085 -109793.2529 298.4965 -161732.6614 -109418.1493 297.8290 66.2429 93.3969 762324.8620 -15.4724 -15.3182 LDB: ============= START OF LOAD BALANCING ============== 1599.31 LDB: ============== END OF LOAD BALANCING =============== 1599.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1599.32 LDB: ============= START OF LOAD BALANCING ============== 1599.63 LDB: Largest compute 7075 load 0.037072 is 19.0% of average load 0.194950 LDB: Average compute 0.004393 is 2.3% of average load 0.194950 LDB: TIME 1599.63 LOAD: AVG 0.19495 MAX 0.21271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.043 MB LDB: TIME 1599.63 LOAD: AVG 0.19495 MAX 0.21271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.246 MB LDB: TIME 1599.63 LOAD: AVG 0.19495 MAX 0.21271 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.246 MB LDB: ============== END OF LOAD BALANCING =============== 1599.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1599.64 PRESSURE: 504400 -391.817 -176.034 -159.359 -176.035 -484.9 66.6041 -159.36 66.6045 -125.887 GPRESSURE: 504400 -276.448 -61.5476 -19.3162 -248.798 -551.863 12.5704 -46.0024 -27.0682 -92.8663 PRESSAVG: 504400 4.78639 20.8578 11.3574 20.8578 -31.9524 3.22437 11.3573 3.22432 -9.14042 GPRESSAVG: 504400 6.90893 22.7356 12.595 17.5289 -34.0798 2.53236 11.9174 3.06788 -9.01426 TIMING: 504400 CPU: 1587.51, 0.00321502/step Wall: 1587.51, 0.00321502/step, 4.01485 hours remaining, 235.046875 MB of memory in use. ENERGY: 504400 4011.6997 20355.9974 14478.7174 237.7250 -203205.1236 2438.8393 0.0000 0.0000 51775.1377 -109907.0071 297.5524 -161682.1448 -109546.8172 297.5652 -334.2017 -307.0592 762649.1927 -12.1022 -12.0617 PRESSURE: 504600 160.764 -25.9508 81.5681 -25.951 164.345 93.5515 81.5688 93.5507 191.372 GPRESSURE: 504600 209.256 65.0073 77.7257 103.082 256.863 215.623 88.9181 33.4807 152.444 PRESSAVG: 504600 17.7485 -12.8657 25.6343 -12.8656 29.0296 19.1367 25.6343 19.1367 15.9762 GPRESSAVG: 504600 16.2002 -11.7968 25.357 -9.63759 29.6254 18.8768 24.9506 20.3682 16.7243 TIMING: 504600 CPU: 1588.13, 0.00314594/step Wall: 1588.13, 0.00314594/step, 3.92841 hours remaining, 235.046875 MB of memory in use. ENERGY: 504600 4009.5277 20521.4994 14423.5401 255.2547 -203963.3739 2878.8873 0.0000 0.0000 52048.9935 -109825.6712 299.1263 -161874.6647 -109468.8816 297.6872 172.1606 206.1876 761402.0623 20.9181 20.8500 PRESSURE: 504800 85.6007 -27.19 146.199 -27.1894 -100.202 -198.097 146.199 -198.098 -161.229 GPRESSURE: 504800 92.4818 -220.073 167.036 48.6924 -9.13015 -185.8 131.49 -227.05 -173.775 PRESSAVG: 504800 -17.8433 20.9012 -1.36088 20.9012 50.5489 34.3215 -1.36081 34.3215 3.87538 GPRESSAVG: 504800 -18.2692 18.1654 -2.21673 21.0857 51.307 34.282 -3.03179 32.5913 4.25448 TIMING: 504800 CPU: 1588.76, 0.00314221/step Wall: 1588.76, 0.00314221/step, 3.92357 hours remaining, 235.046875 MB of memory in use. ENERGY: 504800 3981.0126 20466.2037 14420.8245 254.6812 -203387.5422 2787.2286 0.0000 0.0000 51842.4765 -109635.1151 297.9394 -161477.5916 -109284.2667 298.3241 -58.6100 -30.1411 762831.2709 12.1937 12.4308 PRESSURE: 505000 15.3291 19.5924 -155.622 19.5927 213.021 21.4791 -155.622 21.4786 -265.827 GPRESSURE: 505000 27.1523 -68.1071 -165.878 -86.6912 214.168 57.0225 -142.203 118.912 -219.283 PRESSAVG: 505000 -46.2221 -18.1488 21.7448 -18.1488 -3.66589 -12.2312 21.7448 -12.2312 -6.34967 GPRESSAVG: 505000 -45.7805 -16.5233 22.0279 -19.0132 -4.62132 -11.1185 24.4414 -12.4519 -6.54671 TIMING: 505000 CPU: 1589.39, 0.00314473/step Wall: 1589.39, 0.00314473/step, 3.92654 hours remaining, 235.046875 MB of memory in use. ENERGY: 505000 3954.7432 20410.0580 14467.4495 246.8893 -203714.4354 2853.2487 0.0000 0.0000 51938.0242 -109844.0225 298.4885 -161782.0467 -109493.9171 297.6485 -12.4923 7.3457 761350.6377 -18.7459 -18.9829 PRESSURE: 505200 68.5868 -58.6588 -245.116 -58.6582 -178.871 175.99 -245.116 175.99 119.932 GPRESSURE: 505200 68.0395 -66.0597 -209.446 -170.171 -120.085 152.913 -199.211 22.1334 143.005 PRESSAVG: 505200 44.2533 -22.3526 -30.6895 -22.3526 2.26138 24.9158 -30.6895 24.9159 13.8307 GPRESSAVG: 505200 44.6166 -22.7049 -30.6752 -21.8809 2.51208 24.3217 -30.2708 27.9432 13.1236 TIMING: 505200 CPU: 1590.02, 0.00316558/step Wall: 1590.02, 0.00316558/step, 3.95241 hours remaining, 235.046875 MB of memory in use. ENERGY: 505200 3948.0540 20421.3251 14414.1369 230.3785 -203078.4851 2558.9842 0.0000 0.0000 51581.9575 -109923.6489 296.4422 -161505.6064 -109571.0743 297.6735 3.2162 30.3200 761369.4477 20.1151 20.0841 PRESSURE: 505400 -132.295 208.302 -268.293 208.302 24.5808 -161.546 -268.294 -161.546 -79.6289 GPRESSURE: 505400 1.89622 108.656 -166.941 287.949 10.0469 -192.588 -283.298 -68.4138 -126.032 PRESSAVG: 505400 11.7179 4.93813 -50.384 4.93806 -15.0659 24.5624 -50.3841 24.5624 -2.48683 GPRESSAVG: 505400 11.1783 3.06629 -51.1247 4.32852 -14.2658 25.2491 -51.7273 22.7287 -2.80099 TIMING: 505400 CPU: 1590.66, 0.00316831/step Wall: 1590.66, 0.00316832/step, 3.95564 hours remaining, 235.046875 MB of memory in use. ENERGY: 505400 4006.2245 20586.4671 14343.3946 231.7847 -203336.9717 2614.2679 0.0000 0.0000 51732.7632 -109822.0697 297.3089 -161554.8329 -109474.7202 297.5536 -62.4477 -38.0296 761666.2700 -1.9449 -1.9628 PRESSURE: 505600 134.111 -126.126 221.204 -126.125 144.448 114.799 221.203 114.798 -226.082 GPRESSURE: 505600 215.213 -210.202 168.902 -25.2885 221.446 136.752 235.287 102.78 -280.706 PRESSAVG: 505600 -0.862978 -9.85365 13.1746 -9.85362 39.7742 -8.94668 13.1746 -8.94666 -9.59023 GPRESSAVG: 505600 -1.16966 -5.55002 14.1605 -9.76205 39.1669 -8.87075 14.082 -7.56282 -8.85774 TIMING: 505600 CPU: 1591.29, 0.00316105/step Wall: 1591.29, 0.00316105/step, 3.9464 hours remaining, 235.046875 MB of memory in use. ENERGY: 505600 3962.7554 20233.9706 14460.4095 243.5131 -203046.5464 2577.2517 0.0000 0.0000 51730.6996 -109837.9465 297.2970 -161568.6461 -109464.9593 297.7471 17.4923 51.9840 761490.6593 9.7737 9.7132 PRESSURE: 505800 388.139 -76.855 131.066 -76.8551 -82.399 73.59 131.067 73.5896 -105.559 GPRESSURE: 505800 418.501 -94.7201 162.49 -43.5986 -124.383 80.9783 211.746 236.605 -14.8247 PRESSAVG: 505800 4.61762 -82.1326 15.7331 -82.1326 36.1999 -5.62671 15.733 -5.62676 2.44573 GPRESSAVG: 505800 4.22454 -86.0159 14.9273 -80.4064 37.2098 -6.46423 14.4524 -4.80036 1.83137 TIMING: 505800 CPU: 1591.93, 0.00319365/step Wall: 1591.93, 0.00319365/step, 3.98692 hours remaining, 235.046875 MB of memory in use. ENERGY: 505800 3908.5730 20385.3731 14506.0356 244.1920 -203244.5376 2609.5733 0.0000 0.0000 51836.8079 -109753.9827 297.9068 -161590.7906 -109399.2129 297.4489 66.7273 93.0975 760470.1073 14.4211 14.4219 PRESSURE: 506000 -88.5137 -40.4818 -179.198 -40.4815 73.3731 78.5891 -179.197 78.5891 74.97 GPRESSURE: 506000 110.623 38.891 -149.04 57.2839 -46.9295 71.3948 -207.954 -41.8096 77.9601 PRESSAVG: 506000 0.291657 -106.068 30.8797 -106.068 6.01454 22.9626 30.8797 22.9627 -16.3703 GPRESSAVG: 506000 0.671878 -105.331 32.0424 -108.565 4.87234 24.0503 30.9571 20.6857 -16.521 TIMING: 506000 CPU: 1592.57, 0.00319577/step Wall: 1592.57, 0.00319577/step, 3.98939 hours remaining, 235.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 506000 4069.0322 20435.9143 14408.8441 254.4329 -203166.3224 2608.6994 0.0000 0.0000 51828.4032 -109560.9964 297.8585 -161389.3996 -109208.0386 297.9844 19.9431 47.2178 761362.8179 -3.3547 -3.6589 PRESSURE: 506200 -130.417 -227.989 -24.6318 -227.988 -60.3923 72.4023 -24.6322 72.402 149.677 GPRESSURE: 506200 -102.68 -259.854 -19.8784 -208.569 7.99559 122.294 -118.577 42.3439 159.747 PRESSAVG: 506200 24.5556 -96.2362 -12.3419 -96.2361 -23.4894 22.4632 -12.3419 22.4631 -20.7313 GPRESSAVG: 506200 24.9973 -94.0309 -12.7716 -95.5568 -23.2929 23.7374 -12.9503 21.9633 -21.1429 TIMING: 506200 CPU: 1593.2, 0.00315792/step Wall: 1593.2, 0.00315792/step, 3.94197 hours remaining, 235.046875 MB of memory in use. ENERGY: 506200 4003.0190 20462.9742 14496.7217 249.5375 -203499.0256 2713.3251 0.0000 0.0000 51846.0347 -109727.4134 297.9599 -161573.4481 -109369.8829 298.5835 -13.7107 21.6874 761821.2839 -6.5550 -6.4795 PRESSURE: 506400 -109.821 -158.471 93.8588 -158.471 103.538 -160.94 93.8574 -160.941 -80.4468 GPRESSURE: 506400 -81.6428 -201.675 165.45 -95.4378 161.392 -80.9604 36.4274 -169.138 -64.6531 PRESSAVG: 506400 13.6632 -87.474 33.4839 -87.474 -38.7673 46.3921 33.484 46.3922 -20.2541 GPRESSAVG: 506400 14.7689 -89.7726 33.3633 -89.0751 -39.4616 43.7945 35.3905 48.4435 -20.367 TIMING: 506400 CPU: 1593.83, 0.00314724/step Wall: 1593.83, 0.00314724/step, 3.92845 hours remaining, 235.046875 MB of memory in use. ENERGY: 506400 3980.1462 20482.9857 14478.6237 243.8659 -203185.8069 2580.5265 0.0000 0.0000 51822.3501 -109597.3088 297.8238 -161419.6589 -109240.4942 298.7241 -28.9099 5.0320 762834.6330 -15.1194 -15.0199 PRESSURE: 506600 -76.39 -16.1187 -125.554 -16.1191 -46.2526 189.648 -125.554 189.649 -365.369 GPRESSURE: 506600 -26.5828 35.2246 -190.661 -67.4803 -128.164 174.705 -48.1723 204.32 -270.804 PRESSAVG: 506600 36.918 -75.1242 13.9069 -75.1241 33.4016 4.69714 13.9069 4.69713 -6.37671 GPRESSAVG: 506600 35.7534 -73.2146 12.3985 -72.5038 34.407 5.65169 13.6087 5.53203 -6.35159 TIMING: 506600 CPU: 1594.46, 0.00315271/step Wall: 1594.46, 0.00315271/step, 3.93511 hours remaining, 235.046875 MB of memory in use. ENERGY: 506600 4001.3652 20544.1888 14452.8428 241.3255 -203607.3354 2796.7309 0.0000 0.0000 51960.2873 -109610.5950 298.6165 -161570.8823 -109254.8786 298.7635 -162.6704 -141.8503 762528.2731 21.3143 21.2696 PRESSURE: 506800 250.52 -75.4573 -168.132 -75.4576 -208.325 105.162 -168.133 105.163 -246.378 GPRESSURE: 506800 249.7 -60.4552 -208.327 -62.3216 -163.64 69.1867 -124.604 61.8784 -215.441 PRESSAVG: 506800 -1.6128 -50.1496 -14.2183 -50.1496 -38.688 33.7691 -14.2183 33.769 -1.77726 GPRESSAVG: 506800 -1.33102 -51.4194 -14.5796 -50.1947 -39.7345 30.7333 -13.2188 33.1109 -1.07807 TIMING: 506800 CPU: 1595.09, 0.00313995/step Wall: 1595.09, 0.00313995/step, 3.91901 hours remaining, 235.046875 MB of memory in use. ENERGY: 506800 3984.8214 20556.2854 14477.6991 234.7808 -203688.4886 2859.8177 0.0000 0.0000 52161.0107 -109414.0736 299.7700 -161575.0842 -109049.4972 299.0293 -68.0611 -43.1267 763113.1305 -14.0260 -14.0479 PRESSURE: 507000 6.55374 1.64906 100.412 1.64914 82.2656 39.6665 100.412 39.6667 114.841 GPRESSURE: 507000 87.143 60.027 107.621 -78.2867 10.1544 38.3012 115.656 49.9823 176.243 PRESSAVG: 507000 -26.5471 -47.3567 -23.8255 -47.3567 37.0877 -33.629 -23.8255 -33.6289 2.67964 GPRESSAVG: 507000 -26.8106 -47.1335 -23.1876 -47.6661 37.9383 -31.2543 -23.2825 -35.4903 2.93223 TIMING: 507000 CPU: 1595.71, 0.00313256/step Wall: 1595.71, 0.00313256/step, 3.90961 hours remaining, 235.046875 MB of memory in use. ENERGY: 507000 4023.9206 20465.8856 14483.8260 244.0085 -203558.7148 2950.5828 0.0000 0.0000 51800.3873 -109590.1039 297.6975 -161390.4913 -109230.8842 298.7513 67.8868 91.1801 762449.8555 4.4068 4.6866 PRESSURE: 507200 -7.3572 -252.474 82.7299 -252.474 -196.288 -43.8366 82.7303 -43.8357 92.5238 GPRESSURE: 507200 34.1251 -191.914 157.891 -217.265 -166.734 -80.829 -88.1365 156.666 105.627 PRESSAVG: 507200 -4.42205 -16.5323 12.1031 -16.5323 56.7252 -22.2786 12.1031 -22.2785 4.49389 GPRESSAVG: 507200 -4.75441 -16.9949 10.7129 -16.504 56.4635 -22.4118 11.2903 -18.6429 4.84721 TIMING: 507200 CPU: 1596.34, 0.00314013/step Wall: 1596.34, 0.00314013/step, 3.91889 hours remaining, 235.046875 MB of memory in use. ENERGY: 507200 3948.5185 20403.3716 14469.9084 237.0306 -203415.0448 2822.6564 0.0000 0.0000 52151.4953 -109382.0640 299.7154 -161533.5593 -109013.9966 298.9885 -37.0404 -8.9939 762608.5870 18.9323 18.8521 PRESSURE: 507400 294.911 -56.7174 13.057 -56.7182 40.9665 147.368 13.0574 147.368 -70.0874 GPRESSURE: 507400 254.11 8.28111 -45.3795 54.1473 99.5294 84.4893 17.8564 114.184 -4.85248 PRESSAVG: 507400 -13.7952 -21.7781 -26.7346 -21.7781 21.2496 2.53182 -26.7346 2.53178 22.3925 GPRESSAVG: 507400 -13.5284 -22.8031 -25.2395 -20.5394 20.6532 2.58174 -28.0575 -0.760785 22.5396 TIMING: 507400 CPU: 1596.97, 0.00314905/step Wall: 1596.97, 0.00314905/step, 3.92984 hours remaining, 235.046875 MB of memory in use. ENERGY: 507400 3938.5915 20494.7382 14474.0606 247.8096 -203286.0278 2635.5628 0.0000 0.0000 52132.2292 -109363.0360 299.6046 -161495.2652 -108998.1117 299.2960 88.5968 116.2623 762144.3787 9.9490 9.8881 PRESSURE: 507600 -179.648 -31.0981 255.24 -31.0981 -305.687 -66.6805 255.241 -66.6804 -206.189 GPRESSURE: 507600 -117.276 -110.301 172.105 -53.5012 -299.991 -67.5273 262.745 -115.871 -195.233 PRESSAVG: 507600 28.8607 -28.927 11.4229 -28.9271 -28.4487 -11.966 11.4229 -11.966 8.50584 GPRESSAVG: 507600 29.3769 -26.8394 9.73761 -30.096 -27.3068 -11.5164 11.4575 -12.1202 6.79967 TIMING: 507600 CPU: 1597.6, 0.00315517/step Wall: 1597.6, 0.00315517/step, 3.93731 hours remaining, 235.046875 MB of memory in use. ENERGY: 507600 4073.1747 20623.7337 14437.5095 239.6983 -202885.9542 2355.1595 0.0000 0.0000 51823.3157 -109333.3628 297.8293 -161156.6785 -108970.3354 299.1665 -230.5082 -204.1667 761906.9677 2.9726 2.9566 PRESSURE: 507800 151.664 -47.568 -149.578 -47.568 222.617 127.892 -149.577 127.893 94.8621 GPRESSURE: 507800 116.748 -89.6209 -117.596 -42.2754 297.889 61.6401 -73.6731 -59.1804 139.92 PRESSAVG: 507800 -43.5542 -13.8746 23.3591 -13.8746 45.1109 45.6545 23.3591 45.6545 -1.16193 GPRESSAVG: 507800 -43.609 -15.5669 23.8132 -13.3652 45.2493 44.1278 25.3113 46.0822 -1.25937 TIMING: 507800 CPU: 1598.24, 0.00316565/step Wall: 1598.24, 0.00316565/step, 3.95021 hours remaining, 235.046875 MB of memory in use. ENERGY: 507800 3969.3370 20539.2120 14495.4454 244.9084 -203111.8116 2548.1549 0.0000 0.0000 51957.0644 -109357.6893 298.5980 -161314.7537 -108999.0372 299.0916 156.3812 184.8525 762731.2259 0.1316 0.1270 PRESSURE: 508000 156.723 80.2195 140.595 80.2205 -66.2458 18.0654 140.596 18.0644 -167.35 GPRESSURE: 508000 117.398 213.543 200.448 65.2425 56.0675 -3.98111 16.9069 44.6689 -172.285 PRESSAVG: 508000 27.4325 -24.6586 5.05104 -24.6586 14.3663 5.41488 5.051 5.41486 2.92233 GPRESSAVG: 508000 26.4286 -25.4174 5.47103 -26.4561 14.4557 5.60972 3.06116 6.68675 3.89174 TIMING: 508000 CPU: 1598.86, 0.00313462/step Wall: 1598.86, 0.00313462/step, 3.91131 hours remaining, 235.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 508000 4018.9924 20604.0013 14490.0180 237.3496 -203335.7862 2560.9600 0.0000 0.0000 52129.2410 -109295.2239 299.5875 -161424.4649 -108943.8381 298.9813 -25.6244 0.3933 762143.4542 14.9071 14.9254 PRESSURE: 508200 387.976 -73.2955 46.2821 -73.2951 49.2148 -45.0516 46.2821 -45.0523 421.788 GPRESSURE: 508200 428.045 6.27307 27.0169 31.8723 117.792 -162.29 139.268 79.7046 402.321 PRESSAVG: 508200 33.8072 -36.4372 -18.2251 -36.4372 -16.4789 -16.2494 -18.2251 -16.2494 15.5007 GPRESSAVG: 508200 34.2929 -35.4326 -18.2253 -33.2293 -16.8159 -15.6716 -18.0715 -14.6878 15.1495 TIMING: 508200 CPU: 1599.49, 0.0031473/step Wall: 1599.49, 0.0031473/step, 3.92695 hours remaining, 235.046875 MB of memory in use. ENERGY: 508200 4060.4857 20549.8224 14478.3172 252.0792 -203578.3054 2962.8326 0.0000 0.0000 52104.7540 -109170.0144 299.4467 -161274.7683 -108807.6808 299.3731 286.3263 316.0528 760888.9094 10.9430 10.8755 LDB: ============= START OF LOAD BALANCING ============== 1611.95 LDB: ============== END OF LOAD BALANCING =============== 1611.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1611.95 LDB: ============= START OF LOAD BALANCING ============== 1612.26 LDB: Largest compute 7075 load 0.035856 is 18.4% of average load 0.194942 LDB: Average compute 0.004400 is 2.3% of average load 0.194942 LDB: TIME 1612.27 LOAD: AVG 0.194942 MAX 0.212589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.797 MB LDB: TIME 1612.27 LOAD: AVG 0.194942 MAX 0.212589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 1612.27 LOAD: AVG 0.194942 MAX 0.212589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 1612.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1612.27 PRESSURE: 508400 -195.73 20.348 -51.0707 20.3473 -389.079 -122.998 -51.0715 -122.998 -366.88 GPRESSURE: 508400 -160.196 17.8382 19.1717 -44.6737 -346.466 -179.082 -88.0573 -176.296 -366.067 PRESSAVG: 508400 43.3406 -64.8417 -41.7626 -64.8417 -29.4083 33.7845 -41.7626 33.7846 15.998 GPRESSAVG: 508400 44.678 -64.5253 -41.589 -66.0265 -31.1081 33.0082 -41.3912 29.4868 16.5763 TIMING: 508400 CPU: 1600.14, 0.0032303/step Wall: 1600.14, 0.0032303/step, 4.03034 hours remaining, 236.050781 MB of memory in use. ENERGY: 508400 4041.0222 20549.2501 14494.8389 257.4338 -203162.1540 2503.9849 0.0000 0.0000 52223.0588 -109092.5652 300.1266 -161315.6241 -108731.6088 299.2068 -317.2299 -290.9097 763538.7889 9.9768 10.0487 PRESSURE: 508600 161.949 -44.12 46.2797 -44.1196 -186.572 27.9593 46.2801 27.9595 -15.7856 GPRESSURE: 508600 135.301 -172.544 -44.0151 -22.592 -84.0983 108.307 66.2727 -77.9201 -20.013 PRESSAVG: 508600 35.2622 -78.3127 29.0508 -78.3126 -24.9725 -10.6617 29.0508 -10.6617 -23.1991 GPRESSAVG: 508600 34.1286 -77.0695 29.3778 -81.0853 -23.5651 -8.39371 26.9689 -8.40521 -23.9941 TIMING: 508600 CPU: 1600.77, 0.00316028/step Wall: 1600.77, 0.00316028/step, 3.9428 hours remaining, 236.050781 MB of memory in use. ENERGY: 508600 3936.8268 20628.2265 14450.8501 277.4294 -203265.7277 2809.1306 0.0000 0.0000 52067.4170 -109095.8473 299.2322 -161163.2643 -108745.9160 299.2278 -13.4696 10.3965 763578.2151 -4.3031 -4.4769 PRESSURE: 508800 100.73 135.747 -16.8265 135.747 184.965 100.613 -16.8274 100.612 111.488 GPRESSURE: 508800 71.1205 103.927 -85.5708 161.619 217.765 45.0035 5.53416 107.557 182.804 PRESSAVG: 508800 -10.2669 -8.20614 -8.45566 -8.20611 -27.9618 -25.4295 -8.45573 -25.4295 15.387 GPRESSAVG: 508800 -11.1195 -8.16201 -9.08015 -7.33411 -28.1857 -27.844 -6.21849 -23.7559 16.3321 TIMING: 508800 CPU: 1601.4, 0.00315468/step Wall: 1601.4, 0.00315468/step, 3.93564 hours remaining, 236.050781 MB of memory in use. ENERGY: 508800 3970.8483 20589.7434 14475.7502 237.0734 -203067.3905 2434.7368 0.0000 0.0000 52304.6847 -109054.5538 300.5957 -161359.2385 -108686.7853 299.9555 132.3946 157.2298 762495.7800 -7.6139 -7.6577 PRESSURE: 509000 -15.2906 -142.436 15.5941 -142.435 323.475 -243.903 15.5938 -243.904 -111.97 GPRESSURE: 509000 178.623 -141.711 86.1344 -85.2995 282.797 -188.757 116.526 -371.757 -175.393 PRESSAVG: 509000 6.91998 -42.2861 0.114842 -42.2862 -28.7838 38.743 0.114872 38.743 -1.33226 GPRESSAVG: 509000 8.44348 -43.0809 -0.589167 -40.4897 -29.4107 39.386 0.709235 35.6702 -2.00828 TIMING: 509000 CPU: 1602.04, 0.00319415/step Wall: 1602.04, 0.00319415/step, 3.9847 hours remaining, 236.050781 MB of memory in use. ENERGY: 509000 3958.8487 20384.9101 14519.2225 239.7212 -203135.1889 2649.0631 0.0000 0.0000 52192.1720 -109191.2513 299.9491 -161383.4233 -108825.4074 299.5014 65.4049 95.3421 763743.4838 -7.7320 -7.6585 PRESSURE: 509200 -478.981 -293.962 73.2138 -293.962 -314.357 -163.116 73.2139 -163.115 -329.785 GPRESSURE: 509200 -479.276 -309.527 89.2063 -191.117 -255.765 -130.011 27.1006 -200.303 -302.187 PRESSAVG: 509200 5.98989 -36.8307 -8.19162 -36.8308 -32.678 -19.5369 -8.19165 -19.5368 -5.29692 GPRESSAVG: 509200 4.25289 -37.7455 -7.2527 -37.1533 -32.0735 -17.6734 -10.6609 -17.801 -4.15102 TIMING: 509200 CPU: 1602.67, 0.00315876/step Wall: 1602.67, 0.00315876/step, 3.94037 hours remaining, 236.050781 MB of memory in use. ENERGY: 509200 4067.7876 20373.9970 14573.0423 229.3751 -203178.9617 2630.5125 0.0000 0.0000 52272.5389 -109031.7083 300.4110 -161304.2472 -108666.9455 299.6283 -374.3739 -345.7430 763883.9293 -10.6617 -10.6572 PRESSURE: 509400 -400.59 -189.305 163.484 -189.304 -326.372 6.48131 163.484 6.48015 -61.6627 GPRESSURE: 509400 -257.202 -157.026 178.931 -105.304 -406.683 -57.0099 93.0148 -25.4872 -65.5646 PRESSAVG: 509400 -53.9013 -56.8211 2.16079 -56.821 -19.8127 14.7028 2.16078 14.7029 0.868268 GPRESSAVG: 509400 -54.8205 -54.024 2.26766 -57.5956 -18.5242 12.8035 2.9719 16.6802 0.141273 TIMING: 509400 CPU: 1603.3, 0.00313249/step Wall: 1603.3, 0.00313249/step, 3.90743 hours remaining, 236.050781 MB of memory in use. ENERGY: 509400 3986.1341 20565.2365 14446.6993 244.1511 -202889.2891 2310.4922 0.0000 0.0000 52181.9784 -109154.5975 299.8905 -161336.5759 -108797.1970 299.5958 -262.8750 -243.1500 763282.6086 -24.2819 -24.4011 PRESSURE: 509600 -467.119 1.48506 -124.743 1.48514 -403.451 21.3311 -124.744 21.3307 -479.741 GPRESSURE: 509600 -404.65 -36.0362 -180.084 128.47 -404.027 30.8387 -128.588 38.0754 -463.241 PRESSAVG: 509600 -41.8804 13.3577 -46.6172 13.3577 49.2354 -17.6124 -46.6172 -17.6125 11.9524 GPRESSAVG: 509600 -41.2564 12.8091 -46.4047 12.9708 48.626 -17.8213 -47.4501 -19.5884 11.5865 TIMING: 509600 CPU: 1603.93, 0.00316651/step Wall: 1603.93, 0.00316651/step, 3.9497 hours remaining, 236.050781 MB of memory in use. ENERGY: 509600 4093.9302 20419.0740 14445.6133 258.8625 -203199.3446 2507.4364 0.0000 0.0000 52127.6030 -109346.8251 299.5781 -161474.4281 -108980.9080 299.6761 -450.1034 -423.9724 763352.3564 6.4358 6.3187 PRESSURE: 509800 -51.0672 -74.9509 6.79669 -74.9514 18.2318 292.072 6.79651 292.073 -215.872 GPRESSURE: 509800 60.47 6.34642 -35.0113 -115.278 -20.9968 335.787 -50.373 302.28 -182.209 PRESSAVG: 509800 -27.7925 14.0406 -17.4418 14.0406 -0.134691 33.7945 -17.4419 33.7944 -10.3194 GPRESSAVG: 509800 -26.8986 14.7826 -18.6196 14.8162 -1.43116 34.6624 -16.5859 34.2039 -10.0498 TIMING: 509800 CPU: 1604.56, 0.00312306/step Wall: 1604.56, 0.00312306/step, 3.89532 hours remaining, 236.050781 MB of memory in use. ENERGY: 509800 3971.0015 20473.1295 14449.4880 224.4951 -203314.2840 2762.1964 0.0000 0.0000 52137.8440 -109296.1294 299.6369 -161433.9734 -108934.3388 299.2227 -82.9025 -47.5786 761965.8566 -12.7489 -12.7932 PRESSURE: 510000 -36.3316 58.7429 40.9748 58.7429 -102.009 35.9162 40.9743 35.9186 -158.448 GPRESSURE: 510000 13.3152 14.396 27.2776 38.3416 -20.2408 42.5273 14.7666 -36.9449 -208.055 PRESSAVG: 510000 -9.62472 -14.0976 11.0592 -14.0976 54.8176 19.4524 11.0592 19.4525 12.9178 GPRESSAVG: 510000 -10.0897 -18.3815 10.403 -12.7672 56.9496 19.8483 10.5451 17.5074 11.5768 TIMING: 510000 CPU: 1605.18, 0.00311804/step Wall: 1605.18, 0.00311804/step, 3.88889 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: 510000 4045.0727 20458.0243 14526.1973 245.6379 -202989.8641 2295.5831 0.0000 0.0000 52210.4498 -109208.8989 300.0542 -161419.3487 -108851.2636 299.6732 -98.9295 -71.6601 760644.1693 19.3702 19.4789 PRESSURE: 510200 -164.123 297.28 174.552 297.28 -92.3875 36.9061 174.552 36.9069 319.336 GPRESSURE: 510200 -121.602 206.892 150.505 292.926 -33.4328 22.0487 276.88 10.9756 314.886 PRESSAVG: 510200 -21.8334 20.1507 35.3221 20.1507 34.3983 -28.1382 35.3221 -28.1382 13.5383 GPRESSAVG: 510200 -23.0017 23.3109 35.5111 16.8241 34.0304 -29.5828 38.2988 -27.8826 15.2313 TIMING: 510200 CPU: 1605.81, 0.00313385/step Wall: 1605.81, 0.00313385/step, 3.90844 hours remaining, 236.050781 MB of memory in use. ENERGY: 510200 3974.1694 20427.9002 14433.2256 249.0662 -202940.4614 2593.9636 0.0000 0.0000 51914.1146 -109348.0217 298.3511 -161262.1363 -108982.2730 299.4435 20.9420 53.2837 763032.0741 8.7011 8.7533 PRESSURE: 510400 192.332 -64.0417 -66.1274 -64.0421 -200.445 25.4127 -66.1272 25.4132 82.5007 GPRESSURE: 510400 139.62 -8.16082 -90.8433 -19.9298 -76.0071 -15.5288 -118.077 35.165 89.3143 PRESSAVG: 510400 7.2541 13.2941 -35.8634 13.2941 -10.9541 -1.90404 -35.8634 -1.90402 -7.90335 GPRESSAVG: 510400 9.10802 12.5239 -33.7916 15.2514 -11.3598 -0.224126 -36.5606 -1.45788 -9.15715 TIMING: 510400 CPU: 1606.44, 0.00315282/step Wall: 1606.44, 0.00315282/step, 3.93192 hours remaining, 236.050781 MB of memory in use. ENERGY: 510400 4024.2344 20500.6077 14523.9076 241.0073 -202985.5466 2463.9191 0.0000 0.0000 52035.4160 -109196.4544 299.0483 -161231.8704 -108843.3701 299.3037 24.7962 50.9759 762206.2014 -3.8678 -3.8030 PRESSURE: 510600 159.695 -84.7366 325.752 -84.7372 349.776 -119.309 325.752 -119.31 279.43 GPRESSURE: 510600 183.819 -105.632 233.787 -78.3252 422.178 -127.406 284.141 -68.0379 255.736 PRESSAVG: 510600 25.055 -32.8156 -9.43408 -32.8156 -29.3488 -49.2554 -9.43408 -49.2554 -11.8737 GPRESSAVG: 510600 24.3103 -29.7497 -9.56508 -34.0764 -30.187 -48.9408 -14.2964 -49.5492 -10.5226 TIMING: 510600 CPU: 1607.07, 0.00315097/step Wall: 1607.07, 0.00315097/step, 3.92943 hours remaining, 236.050781 MB of memory in use. ENERGY: 510600 3948.3283 20587.7750 14479.3578 240.5685 -203310.5736 2566.3057 0.0000 0.0000 52036.3533 -109451.8850 299.0536 -161488.2382 -109089.7302 299.1627 262.9671 287.2441 762331.1537 -5.3892 -5.4664 PRESSURE: 510800 -130.389 174.427 -15.8143 174.427 -39.4132 -28.8085 -15.8142 -28.8083 -143.764 GPRESSURE: 510800 -219.681 162.476 -46.6103 136.16 132.03 -30.9324 1.07877 88.7555 -141.466 PRESSAVG: 510800 -14.3461 -7.47246 -12.7231 -7.47242 17.7296 -58.1936 -12.7231 -58.1936 22.0742 GPRESSAVG: 510800 -14.3254 -9.31408 -13.314 -7.85717 17.9731 -58.2083 -9.26117 -56.6543 21.3909 TIMING: 510800 CPU: 1607.7, 0.00317504/step Wall: 1607.7, 0.00317504/step, 3.95928 hours remaining, 236.050781 MB of memory in use. ENERGY: 510800 3932.9447 20488.8416 14446.9683 248.7619 -203266.9792 2733.0066 0.0000 0.0000 52115.5283 -109300.9277 299.5087 -161416.4560 -108936.5384 299.4720 -104.5222 -76.3722 760693.4782 8.4859 8.3462 PRESSURE: 511000 -371.096 -120.806 -126.981 -120.806 -400.786 -83.348 -126.981 -83.3476 -300.414 GPRESSURE: 511000 -247.483 -19.5478 -113.224 -172.765 -466.767 -85.9393 -29.8238 -95.0539 -282.956 PRESSAVG: 511000 -5.70725 -24.2262 35.2709 -24.2262 32.2679 10.0805 35.2709 10.0806 -12.0315 GPRESSAVG: 511000 -5.87561 -26.1173 35.5681 -21.2207 32.2187 8.87151 35.2002 10.8186 -11.6424 TIMING: 511000 CPU: 1608.34, 0.00317984/step Wall: 1608.34, 0.00317984/step, 3.96509 hours remaining, 236.050781 MB of memory in use. ENERGY: 511000 3928.2063 20424.7496 14443.6821 227.1983 -202532.2245 2227.4900 0.0000 0.0000 52051.3459 -109229.5524 299.1398 -161280.8982 -108863.4590 298.8770 -357.4322 -332.4017 761970.5926 4.8430 4.9002 PRESSURE: 511200 -202.182 27.8948 -42.7047 27.8947 -229.361 92.7518 -42.7045 92.7518 -703.108 GPRESSURE: 511200 -120.198 4.74614 -74.0432 16.478 -262.192 88.738 -96.1633 10.9866 -655.788 PRESSAVG: 511200 -3.01296 -1.63985 24.9346 -1.63987 -22.6425 -18.8112 24.9346 -18.8111 14.842 GPRESSAVG: 511200 -1.53898 0.345368 25.5464 -3.93116 -23.8029 -16.8757 24.29 -20.8223 14.4494 TIMING: 511200 CPU: 1608.97, 0.00316711/step Wall: 1608.97, 0.00316711/step, 3.94903 hours remaining, 236.050781 MB of memory in use. ENERGY: 511200 4109.3020 20331.8076 14515.1273 243.0440 -202609.9115 2261.2116 0.0000 0.0000 52091.1639 -109058.2550 299.3686 -161149.4189 -108693.7107 299.3115 -378.2171 -346.0593 761941.3091 -3.6045 -3.6308 PRESSURE: 511400 -209.735 11.5668 178.778 11.5664 -195.951 -41.9304 178.777 -41.9301 -18.3004 GPRESSURE: 511400 -181.841 21.7653 245.233 14.9128 -160.385 29.5389 188.512 -56.5411 20.1096 PRESSAVG: 511400 -26.8643 24.9781 25.1532 24.9781 11.2182 -4.38559 25.1533 -4.38551 8.93183 GPRESSAVG: 511400 -28.2368 26.175 24.7792 26.0978 12.106 -4.67616 24.5903 -4.04003 8.93613 TIMING: 511400 CPU: 1609.61, 0.00316375/step Wall: 1609.61, 0.00316375/step, 3.94467 hours remaining, 236.050781 MB of memory in use. ENERGY: 511400 4023.1438 20393.4611 14420.4990 247.7421 -202729.2593 2447.9866 0.0000 0.0000 51866.6227 -109329.8040 298.0782 -161196.4267 -108953.5212 299.1522 -141.3287 -107.3723 761314.5074 -2.2381 -2.3982 PRESSURE: 511600 -317.211 -6.20969 47.6991 -6.20971 -82.5165 -160.307 47.6997 -160.307 -294.408 GPRESSURE: 511600 -251.262 63.8984 -84.1573 -76.3818 -94.0253 -133.162 -74.8049 -141.072 -265.755 PRESSAVG: 511600 -14.8804 13 -17.1492 13 34.8203 -35.9134 -17.1491 -35.9135 8.46797 GPRESSAVG: 511600 -14.4908 12.3771 -17.9472 12.3558 34.0789 -36.0948 -15.1847 -35.1215 9.46765 TIMING: 511600 CPU: 1610.23, 0.00314026/step Wall: 1610.23, 0.00314026/step, 3.91521 hours remaining, 236.050781 MB of memory in use. ENERGY: 511600 4133.2584 20407.3631 14496.6930 242.2486 -202779.1331 2418.2622 0.0000 0.0000 51854.3789 -109226.9290 298.0078 -161081.3079 -108869.9947 299.1354 -231.3784 -203.6805 760478.5612 9.4693 9.6852 PRESSURE: 511800 32.2295 -1.78146 -163.395 -1.78135 -132.425 100.171 -163.394 100.172 36.3386 GPRESSURE: 511800 54.3955 72.3155 -214.352 30.6532 -128.957 188.654 -124.303 221.369 92.9494 PRESSAVG: 511800 6.87279 -21.9465 -19.2901 -21.9465 -4.266 14.2 -19.2901 14.2001 -13.7354 GPRESSAVG: 511800 5.82017 -20.6247 -19.5183 -23.0209 -2.66395 13.8302 -21.6185 14.5809 -14.7435 TIMING: 511800 CPU: 1610.86, 0.00314979/step Wall: 1610.86, 0.00314979/step, 3.92691 hours remaining, 236.050781 MB of memory in use. ENERGY: 511800 4038.7977 20445.0295 14406.1787 238.9273 -203192.1730 2479.1502 0.0000 0.0000 52199.3464 -109384.7432 299.9904 -161584.0896 -109010.6712 299.5345 -21.2855 6.1292 761048.8828 -3.7095 -3.8624 PRESSURE: 512000 37.165 -48.9783 -86.1183 -48.9783 27.9981 143.996 -86.1178 143.995 65.3817 GPRESSURE: 512000 3.96332 -53.1047 -5.03411 -53.5338 93.9823 108.101 -53.8871 130.922 110.824 PRESSAVG: 512000 -9.99209 -4.56197 41.0635 -4.56201 -14.605 18.1838 41.0634 18.1838 -1.15321 GPRESSAVG: 512000 -8.68268 -6.69228 42.8404 -3.67427 -15.3352 18.7238 41.9142 16.4106 -1.44848 TIMING: 512000 CPU: 1611.49, 0.00314561/step Wall: 1611.49, 0.00314561/step, 3.92153 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: 512000 3977.0519 20486.7384 14503.7122 237.7580 -203130.5848 2728.2991 0.0000 0.0000 51766.0601 -109430.9651 297.5003 -161197.0252 -109075.9382 299.4427 43.5150 69.5898 759348.3035 -8.5834 -8.4888 PRESSURE: 512200 -93.254 27.0309 49.183 27.031 -509.898 -51.6581 49.1841 -51.6575 -22.8333 GPRESSURE: 512200 -64.0142 37.1117 72.7624 17.6487 -489.652 -63.3103 -18.174 -10.353 15.5116 PRESSAVG: 512200 12.9182 -58.3327 49.8897 -58.3327 -18.4187 3.10346 49.8898 3.10345 8.28121 GPRESSAVG: 512200 12.4361 -56.8449 49.1988 -58.0536 -18.499 1.83261 48.7087 2.54288 8.98093 TIMING: 512200 CPU: 1612.13, 0.0031668/step Wall: 1612.13, 0.0031668/step, 3.94777 hours remaining, 236.050781 MB of memory in use. ENERGY: 512200 3967.0830 20644.0303 14353.2052 247.6302 -203303.9556 2569.8656 0.0000 0.0000 52122.9190 -109399.2224 299.5511 -161522.1414 -109033.7945 299.4531 -208.6619 -179.3848 761570.4926 0.9269 0.9727 LDB: ============= START OF LOAD BALANCING ============== 1624.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1624.58 LDB: =============== DONE WITH MIGRATION ================ 1624.58 LDB: ============= START OF LOAD BALANCING ============== 1624.89 LDB: Largest compute 7076 load 0.036522 is 18.7% of average load 0.194924 LDB: Average compute 0.004398 is 2.3% of average load 0.194924 LDB: TIME 1624.9 LOAD: AVG 0.194924 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.402 MB LDB: TIME 1624.9 LOAD: AVG 0.194924 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: TIME 1624.9 LOAD: AVG 0.194924 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: ============== END OF LOAD BALANCING =============== 1624.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1624.9 PRESSURE: 512400 -132.769 21.9821 -310.971 21.983 -10.8138 71.6382 -310.971 71.6385 649.567 GPRESSURE: 512400 -142.347 -29.4811 -302.436 105.836 64.3228 105.165 -255.985 -22.001 660.472 PRESSAVG: 512400 51.8595 -21.2637 28.5023 -21.2637 -35.3344 -17.1732 28.5024 -17.1731 5.79794 GPRESSAVG: 512400 52.5759 -24.3745 27.9591 -21.0207 -35.317 -16.5793 29.4948 -14.1899 5.09145 TIMING: 512400 CPU: 1612.77, 0.00321749/step Wall: 1612.77, 0.00321749/step, 4.01078 hours remaining, 235.781250 MB of memory in use. ENERGY: 512400 3960.8172 20488.5646 14439.8365 257.7601 -203760.6568 2903.9185 0.0000 0.0000 52083.0286 -109626.7312 299.3219 -161709.7598 -109262.5129 299.1532 168.6611 194.1490 761294.4545 7.4410 7.4501 PRESSURE: 512600 374.423 12.7042 124.62 12.7044 -16.7711 99.5461 124.62 99.5464 -272.563 GPRESSURE: 512600 336.68 170.373 187.832 -1.62009 -31.0133 92.8536 162.521 79.171 -146.668 PRESSAVG: 512600 35.4381 -55.1053 -29.5958 -55.1054 -47.1548 11.7188 -29.5958 11.7187 0.821876 GPRESSAVG: 512600 33.021 -53.2666 -30.5221 -57.8563 -46.2547 14.0182 -26.8975 10.7897 1.80023 TIMING: 512600 CPU: 1613.4, 0.00317686/step Wall: 1613.4, 0.00317686/step, 3.95995 hours remaining, 236.042969 MB of memory in use. ENERGY: 512600 3954.8500 20432.9488 14419.9957 238.6600 -203624.2505 2768.7894 0.0000 0.0000 51986.5697 -109822.4368 298.7675 -161809.0065 -109463.2674 298.6728 28.3630 52.9994 762491.5865 -3.6316 -3.8112 PRESSURE: 512800 416.406 -129.471 61.6275 -129.472 299.715 -54.2269 61.6268 -54.2267 180.617 GPRESSURE: 512800 479.383 -76.9199 89.6352 -38.667 351.124 -70.9698 -72.4112 5.15475 163.116 PRESSAVG: 512800 11.4903 -20.2173 -21.9956 -20.2173 -43.088 36.6523 -21.9956 36.6523 14.4745 GPRESSAVG: 512800 12.7723 -20.1036 -20.551 -19.1421 -43.7921 36.7611 -24.2901 36.0514 14.4233 TIMING: 512800 CPU: 1614.04, 0.00316079/step Wall: 1614.04, 0.00316079/step, 3.93975 hours remaining, 236.042969 MB of memory in use. ENERGY: 512800 3876.0183 20466.8888 14398.8478 248.9394 -203642.4943 3002.3511 0.0000 0.0000 51979.6407 -109669.8083 298.7277 -161649.4490 -109315.8889 298.4927 298.9129 331.2077 762117.3306 -5.7078 -5.5322 PRESSURE: 513000 -96.3293 -40.0282 -70.0259 -40.028 -25.7423 -106.552 -70.0258 -106.552 -215.654 GPRESSURE: 513000 -101.037 -26.3019 -120.501 -51.2459 38.8435 -100.015 -7.8807 -72.307 -181.811 PRESSAVG: 513000 94.3784 -28.6188 -47.0581 -28.6188 -122.195 12.5675 -47.0582 12.5675 4.33478 GPRESSAVG: 513000 93.7622 -30.7693 -47.8284 -26.5113 -121.164 10.9414 -48.1978 13.8739 3.87319 TIMING: 513000 CPU: 1614.67, 0.00314708/step Wall: 1614.67, 0.00314708/step, 3.92248 hours remaining, 236.113281 MB of memory in use. ENERGY: 513000 4034.4400 20576.5798 14398.8883 232.2230 -203477.6746 2767.4572 0.0000 0.0000 52062.7939 -109405.2924 299.2056 -161468.0862 -109048.2102 299.1158 -112.5751 -81.3351 762324.9263 -7.8272 -7.8428 PRESSURE: 513200 -245.454 -347.676 -239.682 -347.676 -115.562 -84.2087 -239.682 -84.209 -156.288 GPRESSURE: 513200 -247.687 -323.177 -177.621 -329.782 -17.9363 -34.3138 -131.197 -77.5532 -163.181 PRESSAVG: 513200 20.9182 -34.2907 -57.6364 -34.2907 -37.8554 -8.93433 -57.6364 -8.93437 -7.7011 GPRESSAVG: 513200 22.1629 -31.8775 -57.6385 -36.1862 -39.0544 -9.73693 -55.7004 -8.69915 -7.75627 TIMING: 513200 CPU: 1615.3, 0.00316007/step Wall: 1615.3, 0.00316007/step, 3.9385 hours remaining, 236.113281 MB of memory in use. ENERGY: 513200 4030.5629 20475.2978 14478.7774 223.4199 -203423.0133 2761.9447 0.0000 0.0000 52167.4958 -109285.5147 299.8073 -161453.0106 -108924.2080 299.5507 -172.4348 -142.9348 762017.3004 -8.2128 -8.2159 PRESSURE: 513400 -20.2126 -27.4602 -16.603 -27.4603 108.206 -29.601 -16.603 -29.6007 138.227 GPRESSURE: 513400 -8.25674 -61.6484 31.9697 -77.0472 142.667 -1.83811 -46.4366 -14.5485 186.985 PRESSAVG: 513400 40.2672 -65.469 -2.3835 -65.469 -20.3814 51.2325 -2.38354 51.2326 -18.6918 GPRESSAVG: 513400 39.7534 -67.6447 -1.27289 -63.0922 -19.7291 50.7564 -4.30613 51.7058 -18.8202 TIMING: 513400 CPU: 1615.93, 0.0031594/step Wall: 1615.93, 0.0031594/step, 3.93748 hours remaining, 236.113281 MB of memory in use. ENERGY: 513400 4005.1006 20411.5507 14431.5031 244.7561 -203755.4304 2982.9918 0.0000 0.0000 52086.6119 -109592.9163 299.3425 -161679.5282 -109231.9223 298.8916 75.4066 107.1317 761840.9165 0.3980 0.4014 PRESSURE: 513600 142.532 -170.073 -54.9225 -170.074 -158.653 -134.862 -54.9235 -134.861 -36.2781 GPRESSURE: 513600 236.544 -307.693 -70.8979 -142.11 -150.252 -136.386 13.8295 -31.7716 -42.9624 PRESSAVG: 513600 -24.6673 -66.6089 77.7046 -66.6089 39.6206 27.0907 77.7047 27.0908 7.83469 GPRESSAVG: 513600 -24.5565 -67.1051 77.2345 -67.538 39.0901 28.0937 77.8826 26.6968 8.37975 TIMING: 513600 CPU: 1616.56, 0.00315101/step Wall: 1616.56, 0.00315101/step, 3.92686 hours remaining, 236.113281 MB of memory in use. ENERGY: 513600 3963.2689 20591.4185 14409.1760 255.5299 -203983.8347 2966.0705 0.0000 0.0000 52217.4830 -109580.8878 300.0946 -161798.3708 -109225.4630 298.8304 -17.4662 14.4431 760089.7653 7.5960 7.6378 PRESSURE: 513800 -19.7916 -191.074 -30.6748 -191.075 -234.911 258.666 -30.6746 258.667 -271.16 GPRESSURE: 513800 76.362 -265.887 -18.3146 -293.382 -241.008 202.696 47.0755 238.157 -286.922 PRESSAVG: 513800 61.8772 -20.6439 11.4678 -20.6439 -52.1081 7.04499 11.4678 7.0451 -4.26201 GPRESSAVG: 513800 63.1201 -19.6886 10.0743 -20.8942 -51.8744 6.55687 11.8795 4.3813 -5.53338 TIMING: 513800 CPU: 1617.19, 0.00314436/step Wall: 1617.19, 0.00314436/step, 3.91839 hours remaining, 236.113281 MB of memory in use. ENERGY: 513800 4042.4992 20563.4661 14505.2771 234.7993 -203551.3679 2650.5510 0.0000 0.0000 52037.9333 -109516.8420 299.0627 -161554.7752 -109156.2406 299.6861 -175.2875 -150.5229 762561.0435 1.8357 1.9041 PRESSURE: 514000 -60.6956 -180.1 213.748 -180.099 -41.1689 190.641 213.749 190.64 -19.2198 GPRESSURE: 514000 -87.9086 -149.201 123.227 -178.044 40.8243 149.619 91.4851 162.166 2.40027 PRESSAVG: 514000 45.1957 -98.6655 -27.9913 -98.6655 -44.4164 22.7552 -27.9913 22.7553 28.5767 GPRESSAVG: 514000 43.7697 -99.2553 -27.7898 -99.403 -44.3955 23.1058 -28.1466 23.964 29.8729 TIMING: 514000 CPU: 1617.83, 0.00317947/step Wall: 1617.83, 0.00317947/step, 3.96198 hours remaining, 236.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 514000 3977.3837 20602.4371 14492.7542 251.1257 -203611.1678 2602.7083 0.0000 0.0000 52128.2560 -109556.5027 299.5818 -161684.7587 -109188.2731 299.5646 -40.3615 -14.8947 760192.9589 9.7853 9.7490 PRESSURE: 514200 -101.962 9.29869 -216.106 9.29916 -28.0395 106.124 -216.106 106.124 45.5315 GPRESSURE: 514200 64.8065 56.7879 -205.08 70.564 -62.5842 103.101 -106.352 133.766 -1.20042 PRESSAVG: 514200 81.6498 -25.0935 27.7279 -25.0934 -53.537 1.27044 27.728 1.27023 -4.75956 GPRESSAVG: 514200 81.8857 -26.5995 27.9275 -23.5379 -53.6502 0.87538 28.7089 1.97832 -5.17703 TIMING: 514200 CPU: 1618.46, 0.00318251/step Wall: 1618.46, 0.00318251/step, 3.96559 hours remaining, 236.113281 MB of memory in use. ENERGY: 514200 4024.6746 20651.4939 14499.5909 233.4681 -203385.5737 2401.9704 0.0000 0.0000 51851.4185 -109722.9571 297.9908 -161574.3756 -109360.0221 299.0052 -28.1567 0.3406 759821.5582 7.7844 7.6861 PRESSURE: 514400 40.9456 -78.9736 168.81 -78.9741 -86.2602 -139.535 168.81 -139.534 -166.893 GPRESSURE: 514400 117.143 -116.736 107.04 -125.618 -96.139 -213.11 102.958 -34.1656 -159.484 PRESSAVG: 514400 19.7468 -44.5273 12.8503 -44.5273 -11.0292 -31.7136 12.8503 -31.7136 12.2062 GPRESSAVG: 514400 19.6425 -42.378 12.6718 -46.508 -10.5395 -32.5129 11.6236 -31.3578 11.9279 TIMING: 514400 CPU: 1619.1, 0.00319951/step Wall: 1619.1, 0.00319951/step, 3.98659 hours remaining, 236.144531 MB of memory in use. ENERGY: 514400 4024.2657 20537.5437 14483.9173 255.0949 -203458.0945 2503.4045 0.0000 0.0000 52090.6971 -109563.1713 299.3660 -161653.8684 -109199.4795 298.9530 -70.7360 -46.1602 759946.4285 6.9746 7.0103 PRESSURE: 514600 -31.5144 97.0907 245.098 97.0904 15.5635 -109.33 245.098 -109.329 318.217 GPRESSURE: 514600 49.124 163.444 291.95 89.5296 65.6559 -100.692 74.1785 -29.1555 279.665 PRESSAVG: 514600 -28.8644 -103.715 -24.1386 -103.715 20.1447 -39.0202 -24.1386 -39.0203 -0.676682 GPRESSAVG: 514600 -28.3132 -104.146 -23.287 -103.294 19.4149 -39.4017 -25.6382 -37.3101 0.234299 TIMING: 514600 CPU: 1619.74, 0.00318246/step Wall: 1619.74, 0.00318246/step, 3.96517 hours remaining, 236.144531 MB of memory in use. ENERGY: 514600 4014.7030 20365.8420 14406.8150 236.8296 -203481.9708 2721.2938 0.0000 0.0000 51964.0753 -109772.4120 298.6383 -161736.4873 -109411.4579 298.3039 100.7553 131.4815 760890.4446 -3.1321 -2.8880 PRESSURE: 514800 68.4568 -62.0361 -10.117 -62.0366 217.798 46.4521 -10.118 46.4525 167.048 GPRESSURE: 514800 161.298 -98.6569 1.40613 -185.081 236.714 23.5393 35.2654 55.7097 142.663 PRESSAVG: 514800 11.6667 -72.0675 -40.6125 -72.0676 3.52947 68.4846 -40.6126 68.4846 5.38763 GPRESSAVG: 514800 10.8732 -72.3274 -39.8073 -72.0228 3.69964 70.0178 -39.8586 65.9865 5.89974 TIMING: 514800 CPU: 1620.37, 0.00317243/step Wall: 1620.37, 0.00317243/step, 3.95249 hours remaining, 236.144531 MB of memory in use. ENERGY: 514800 3958.4114 20413.1731 14475.0212 250.7454 -203893.0367 2754.6709 0.0000 0.0000 52145.3134 -109895.7013 299.6798 -162041.0148 -109529.3855 297.8681 151.1011 180.2249 760447.3502 6.8613 6.8242 PRESSURE: 515000 -71.396 -2.48209 -167.491 -2.4818 106.828 9.31712 -167.491 9.31714 16.5912 GPRESSURE: 515000 34.1748 -48.7829 -121.025 47.6425 98.1084 22.5173 -176.73 50.0275 19.9278 PRESSAVG: 515000 32.7741 -13.4439 -34.4186 -13.444 -6.10425 -9.07681 -34.4185 -9.07687 3.91067 GPRESSAVG: 515000 31.8432 -13.387 -34.9828 -14.2753 -5.38492 -10.7958 -32.1984 -7.02595 4.17187 TIMING: 515000 CPU: 1621.01, 0.00319315/step Wall: 1621.01, 0.00319315/step, 3.97814 hours remaining, 236.144531 MB of memory in use. ENERGY: 515000 3975.4022 20374.2811 14467.4079 245.5118 -203827.6859 2629.7975 0.0000 0.0000 52092.0650 -110043.2205 299.3738 -162135.2855 -109684.6902 297.7671 17.3409 50.7370 760665.2067 10.1935 10.2100 PRESSURE: 515200 174.649 117.201 211.93 117.201 -131.645 -190.058 211.93 -190.058 302.841 GPRESSURE: 515200 182.412 81.2331 187.475 103.148 -102.702 -54.3527 198.262 -104.619 351.149 PRESSAVG: 515200 27.3557 -16.379 18.0632 -16.3791 -3.05117 -11.9317 18.0633 -11.9317 20.0347 GPRESSAVG: 515200 28.7211 -17.1846 17.3796 -14.9033 -3.00913 -9.94198 15.3918 -12.3106 19.4493 TIMING: 515200 CPU: 1621.65, 0.00320392/step Wall: 1621.65, 0.00320392/step, 3.99137 hours remaining, 236.144531 MB of memory in use. ENERGY: 515200 4039.7787 20335.7895 14485.2048 244.6774 -203478.4499 2616.4127 0.0000 0.0000 51851.7861 -109904.8007 297.9929 -161756.5868 -109549.3458 297.9673 115.2813 143.6198 761494.1605 14.7797 15.0538 PRESSURE: 515400 -210.975 -33.4879 -33.0608 -33.4879 -203.333 -21.9346 -33.0613 -21.9344 -167.042 GPRESSURE: 515400 -149.379 -71.6592 -58.8645 -75.0892 -194.414 -67.3243 -4.37722 -73.3981 -162.662 PRESSAVG: 515400 0.266582 -63.8613 -33.5658 -63.8613 -5.09401 8.52446 -33.5659 8.5244 -12.8259 GPRESSAVG: 515400 0.0248822 -62.2025 -32.3668 -64.9668 -4.49391 9.23041 -30.52 7.38364 -13.0454 TIMING: 515400 CPU: 1622.29, 0.00317012/step Wall: 1622.29, 0.00317012/step, 3.94909 hours remaining, 236.144531 MB of memory in use. ENERGY: 515400 4023.9721 20654.2120 14455.8354 245.5180 -203693.1123 2674.5072 0.0000 0.0000 52015.2488 -109623.8188 298.9323 -161639.0676 -109275.2051 298.5116 -193.7833 -168.8180 761568.3083 -5.8844 -5.8382 PRESSURE: 515600 57.9769 -107.177 -69.1816 -107.177 -48.6493 -119.294 -69.1818 -119.294 -147.41 GPRESSURE: 515600 166.39 -221.016 -152.015 -71.17 -89.5774 -74.6476 -137.913 -161.839 -141.857 PRESSAVG: 515600 32.3134 5.37942 -10.5648 5.37947 -19.2251 -37.712 -10.5647 -37.7119 -7.74681 GPRESSAVG: 515600 32.9954 4.12361 -9.84239 6.18087 -19.8871 -40.3879 -11.8055 -37.7749 -8.12833 TIMING: 515600 CPU: 1622.92, 0.00317517/step Wall: 1622.92, 0.00317517/step, 3.95521 hours remaining, 236.144531 MB of memory in use. ENERGY: 515600 4076.2345 20496.4630 14530.1656 248.3825 -203547.6350 2595.4082 0.0000 0.0000 52052.5497 -109548.4315 299.1467 -161600.9812 -109185.1268 298.7156 -46.0275 -21.6815 761319.4542 1.7805 1.6600 PRESSURE: 515800 56.0219 -295.502 110.94 -295.502 -326.815 181.606 110.94 181.605 192.234 GPRESSURE: 515800 77.2046 -226.291 84.757 -328.909 -197.202 191.421 86.7344 121.621 138.051 PRESSAVG: 515800 -3.51444 -58.8296 -3.9629 -58.8296 -18.3604 46.143 -3.96288 46.1428 11.5164 GPRESSAVG: 515800 -4.3025 -58.6286 -5.55245 -58.4119 -17.6733 48.9402 -2.00016 44.6268 12.4109 TIMING: 515800 CPU: 1623.55, 0.0031674/step Wall: 1623.55, 0.0031674/step, 3.94535 hours remaining, 236.144531 MB of memory in use. ENERGY: 515800 3995.2916 20500.4633 14493.6780 238.2521 -203684.1300 2717.2775 0.0000 0.0000 51971.0604 -109768.1070 298.6784 -161739.1675 -109408.2594 298.3205 -26.1864 6.0181 760626.3554 -3.4528 -3.1883 PRESSURE: 516000 -250.464 37.8674 -107.143 37.8663 -232.968 12.7421 -107.143 12.7428 16.4566 GPRESSURE: 516000 -191.995 -58.1487 -38.9591 -27.8931 -214.321 59.6142 -263.746 -73.0458 21.6433 PRESSAVG: 516000 -17.5713 -39.9272 -12.6931 -39.9272 -19.36 -41.7375 -12.6931 -41.7375 20.6574 GPRESSAVG: 516000 -17.2423 -38.791 -10.5085 -39.9594 -19.386 -41.2349 -16.9118 -40.5663 20.2047 TIMING: 516000 CPU: 1624.18, 0.00314523/step Wall: 1624.18, 0.00314523/step, 3.91756 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: 516000 4071.0824 20452.9358 14495.3080 240.4398 -203749.1696 2649.7728 0.0000 0.0000 52140.5325 -109699.0983 299.6524 -161839.6308 -109325.1427 298.8313 -155.6586 -128.2242 760835.0953 -5.4246 -5.4745 PRESSURE: 516200 57.0398 -111.587 -125.675 -111.587 -510.258 -31.0731 -125.676 -31.0737 -417.25 GPRESSURE: 516200 147.347 -93.5949 -81.6603 -62.4748 -494.455 -111.655 -151.554 -164.357 -464.595 PRESSAVG: 516200 -16.6814 -14.1855 -17.5839 -14.1856 -2.50671 23.8131 -17.5839 23.8132 -1.94161 GPRESSAVG: 516200 -15.7548 -15.6382 -18.5449 -13.9201 -2.96858 21.3344 -14.5367 22.5024 -2.41704 TIMING: 516200 CPU: 1624.81, 0.00315173/step Wall: 1624.81, 0.00315173/step, 3.92548 hours remaining, 236.144531 MB of memory in use. ENERGY: 516200 4005.1602 20782.8035 14481.4353 245.3859 -203355.8452 2526.8367 0.0000 0.0000 51769.9831 -109544.2405 297.5228 -161314.2236 -109180.5238 298.8511 -290.1560 -270.5673 761786.0986 -7.0432 -7.0468 LDB: ============= START OF LOAD BALANCING ============== 1637.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1637.27 LDB: =============== DONE WITH MIGRATION ================ 1637.27 LDB: ============= START OF LOAD BALANCING ============== 1637.59 LDB: Largest compute 7075 load 0.034873 is 17.9% of average load 0.194983 LDB: Average compute 0.004415 is 2.3% of average load 0.194983 LDB: TIME 1637.59 LOAD: AVG 0.194983 MAX 0.21418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.77 MB LDB: TIME 1637.59 LOAD: AVG 0.194983 MAX 0.21418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: TIME 1637.59 LOAD: AVG 0.194983 MAX 0.21418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.77 MB LDB: ============== END OF LOAD BALANCING =============== 1637.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1637.6 PRESSURE: 516400 214.279 -240.358 192.627 -240.359 19.7767 33.9774 192.627 33.9773 189.907 GPRESSURE: 516400 289.552 -391.281 206.885 -236.128 51.2757 112.128 133.947 131.592 163.84 PRESSAVG: 516400 17.1691 -59.8291 -17.8455 -59.8291 -20.0289 -8.61915 -17.8455 -8.61906 43.07 GPRESSAVG: 516400 17.4834 -59.4335 -17.7795 -58.6221 -20.596 -7.02766 -20.2336 -8.08256 42.8707 TIMING: 516400 CPU: 1625.46, 0.00323092/step Wall: 1625.46, 0.00323092/step, 4.02393 hours remaining, 235.281250 MB of memory in use. ENERGY: 516400 4044.6263 20597.5087 14557.9478 240.0554 -204036.1930 2974.2192 0.0000 0.0000 52214.2879 -109407.5477 300.0762 -161621.8356 -109038.8877 299.3117 141.3211 168.2225 760315.7943 13.4034 13.2527 PRESSURE: 516600 2.83876 -80.6309 89.667 -80.631 -414.51 -130.824 89.6664 -130.824 86.584 GPRESSURE: 516600 59.5319 -97.1701 167.469 -71.6529 -382.338 -136.781 108.766 -46.1918 97.9414 PRESSAVG: 516600 43.9028 -100.71 -0.786286 -100.71 -57.1627 32.8881 -0.786268 32.8881 -9.04153 GPRESSAVG: 516600 43.7555 -101.71 -1.79973 -102.429 -57.2217 32.2042 0.531419 34.6267 -8.75324 TIMING: 516600 CPU: 1626.09, 0.00314433/step Wall: 1626.09, 0.00314433/step, 3.91592 hours remaining, 235.484375 MB of memory in use. ENERGY: 516600 4002.4848 20505.7902 14456.0829 242.3824 -203221.2909 2475.1457 0.0000 0.0000 52087.7784 -109451.6266 299.3492 -161539.4050 -109093.7327 299.6942 -108.3624 -74.9549 760707.9942 -7.4338 -7.4065 PRESSURE: 516800 5.36755 -166.157 87.1063 -166.156 -28.645 -30.3654 87.1063 -30.3664 -361.454 GPRESSURE: 516800 -10.2115 -203.137 95.9178 42.0492 41.7526 2.2676 -8.97987 -135.074 -310.455 PRESSAVG: 516800 25.8644 -21.1521 1.80767 -21.1521 -28.2643 -20.6083 1.80765 -20.6083 -2.09391 GPRESSAVG: 516800 26.5477 -21.0135 2.66491 -19.4541 -28.3203 -20.6666 1.22453 -21.282 -2.60014 TIMING: 516800 CPU: 1626.72, 0.00313916/step Wall: 1626.72, 0.00313916/step, 3.9093 hours remaining, 235.484375 MB of memory in use. ENERGY: 516800 4032.5129 20644.0477 14490.2350 244.7140 -203542.5101 2692.6688 0.0000 0.0000 52053.0024 -109385.3295 299.1493 -161438.3319 -109024.3625 299.3637 -128.2439 -92.9714 761167.9290 -1.4980 -1.4576 PRESSURE: 517000 -324.046 11.4385 -82.2952 11.4385 -161.199 156.484 -82.2957 156.485 38.1364 GPRESSURE: 517000 -322.883 -34.9216 -53.3848 59.7825 -125.169 69.8032 -130.271 237.5 91.2426 PRESSAVG: 517000 54.0736 -51.796 27.4699 -51.796 18.1507 12.382 27.4699 12.3822 -12.1859 GPRESSAVG: 517000 53.3879 -50.8076 26.3342 -53.3852 19.1977 11.3025 28.7665 12.4221 -12.2959 TIMING: 517000 CPU: 1627.35, 0.00315521/step Wall: 1627.35, 0.00315521/step, 3.92912 hours remaining, 235.484375 MB of memory in use. ENERGY: 517000 4047.1059 20663.3025 14513.2644 248.1870 -203457.0266 2679.5558 0.0000 0.0000 51809.0599 -109496.5511 297.7474 -161305.6110 -109134.4123 299.0414 -149.0360 -118.9362 761377.8013 20.0128 20.0966 PRESSURE: 517200 31.5409 146.027 33.8974 146.026 66.4047 6.75561 33.8966 6.75602 161.943 GPRESSURE: 517200 29.6171 181.601 19.0786 69.9151 137.75 38.1492 -19.1046 -47.0976 143.605 PRESSAVG: 517200 12.1031 -28.8022 6.92282 -28.8022 -45.6593 9.56282 6.92277 9.56281 10.1525 GPRESSAVG: 517200 9.94202 -27.9522 7.71346 -29.0351 -44.8809 10.0505 5.46851 9.19191 11.8101 TIMING: 517200 CPU: 1627.98, 0.00314142/step Wall: 1627.98, 0.00314142/step, 3.91177 hours remaining, 235.484375 MB of memory in use. ENERGY: 517200 3824.0044 20705.8260 14514.1273 245.5707 -203228.5236 2551.0174 0.0000 0.0000 51990.6790 -109397.2987 298.7911 -161387.9777 -109044.2421 298.7484 86.6295 103.6575 760156.9475 -7.8013 -7.7096 PRESSURE: 517400 -88.9172 -153.085 -32.5947 -153.084 180.838 86.6411 -32.5948 86.6401 -14.9072 GPRESSURE: 517400 -90.8452 -196.095 -30.2942 -84.4628 301.814 39.4796 -50.656 236.545 -35.1582 PRESSAVG: 517400 -3.86855 -16.1833 -33.7207 -16.1834 -5.99043 15.2399 -33.7207 15.24 -15.0936 GPRESSAVG: 517400 -2.07018 -16.8971 -34.2344 -17.7752 -6.15285 15.3567 -33.061 14.9298 -16.3963 TIMING: 517400 CPU: 1628.61, 0.00316245/step Wall: 1628.61, 0.00316245/step, 3.93778 hours remaining, 235.484375 MB of memory in use. ENERGY: 517400 4046.4243 20765.9073 14574.7508 236.5152 -203819.7062 2792.0944 0.0000 0.0000 52173.2778 -109230.7363 299.8405 -161404.0141 -108861.9756 299.4427 25.6712 58.6036 761220.9642 -8.3175 -8.2064 PRESSURE: 517600 113.051 -61.0153 -25.1426 -61.0153 160.241 213.769 -25.1418 213.77 -274.707 GPRESSURE: 517600 112.494 -47.3541 -27.251 -21.4004 184.944 204.221 20.7345 160.935 -219.798 PRESSAVG: 517600 -11.6155 -24.4961 5.4008 -24.4961 31.1814 61.6698 5.40078 61.6698 -9.89243 GPRESSAVG: 517600 -10.558 -26.4514 6.60055 -22.2335 30.8898 61.3983 5.36404 63.8595 -10.9704 TIMING: 517600 CPU: 1629.25, 0.00320207/step Wall: 1629.25, 0.00320207/step, 3.98693 hours remaining, 235.484375 MB of memory in use. ENERGY: 517600 3884.0891 20676.2818 14557.5276 254.4273 -203301.2314 2690.2951 0.0000 0.0000 52039.7584 -109198.8521 299.0732 -161238.6105 -108844.9210 298.9332 -0.4717 25.8799 763424.1355 3.2245 3.1205 PRESSURE: 517800 109.451 -162.47 -54.587 -162.47 56.2257 186.768 -54.5878 186.768 9.94438 GPRESSURE: 517800 204.092 -133.867 45.2183 -87.5027 3.28651 138.377 -141.433 29.7403 47.6269 PRESSAVG: 517800 -48.8811 -49.2078 13.581 -49.2078 9.78503 -8.96662 13.581 -8.96659 2.12815 GPRESSAVG: 517800 -49.4893 -47.8093 11.612 -50.0962 9.46768 -8.23946 14.1095 -9.97491 3.31535 TIMING: 517800 CPU: 1629.88, 0.00315691/step Wall: 1629.88, 0.00315691/step, 3.93053 hours remaining, 235.484375 MB of memory in use. ENERGY: 517800 3887.2369 20596.5632 14541.0661 265.7779 -203714.8236 2911.9266 0.0000 0.0000 52204.0569 -109308.1960 300.0174 -161512.2529 -108949.1978 299.5288 58.5403 85.0019 762343.5423 -12.3226 -12.2354 PRESSURE: 518000 56.8729 -92.1606 -20.1494 -92.1605 14.5063 -4.19704 -20.1491 -4.19658 -51.3173 GPRESSURE: 518000 15.3079 -94.1036 -8.25467 -89.5782 75.8398 -53.8452 59.692 -36.6453 -2.80809 PRESSAVG: 518000 -31.1921 -54.7236 -45.263 -54.7236 38.3678 -0.0893885 -45.263 -0.0893832 -32.0407 GPRESSAVG: 518000 -30.7299 -55.1448 -43.8353 -54.2111 37.2744 -1.32963 -46.9965 0.644886 -31.7415 TIMING: 518000 CPU: 1630.51, 0.00317203/step Wall: 1630.51, 0.00317203/step, 3.94918 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: 518000 4001.7003 20775.0768 14525.2462 254.9327 -203283.0230 2617.4985 0.0000 0.0000 51913.3327 -109195.2357 298.3466 -161108.5684 -108838.8543 299.5535 6.6873 29.4466 763128.4540 -8.2883 -8.3990 PRESSURE: 518200 -59.4661 243.368 39.8734 243.368 104.925 236.965 39.8732 236.965 314.605 GPRESSURE: 518200 45.6841 345.64 91.9636 223.592 118.65 310.204 -46.5574 109.205 284.642 PRESSAVG: 518200 -12.6013 -11.5672 2.74477 -11.5672 -15.5308 27.1259 2.74476 27.1259 -16.454 GPRESSAVG: 518200 -11.744 -11.3018 2.00064 -11.7542 -15.524 28.6542 2.40583 26.3189 -17.2129 TIMING: 518200 CPU: 1631.15, 0.00315955/step Wall: 1631.15, 0.00315955/step, 3.93346 hours remaining, 235.484375 MB of memory in use. ENERGY: 518200 4014.1526 20385.5135 14578.2136 243.3033 -203516.7646 2737.0780 0.0000 0.0000 52282.4122 -109276.0914 300.4677 -161558.5036 -108915.1658 299.2938 120.0210 149.6590 761237.3606 -14.8621 -14.8270 PRESSURE: 518400 -92.5267 50.0625 65.7612 50.0625 -51.0256 54.3321 65.7621 54.3319 -393.947 GPRESSURE: 518400 -62.3907 14.0928 76.1767 139.087 -25.3249 33.3239 103.217 37.2663 -334.225 PRESSAVG: 518400 -28.3407 -25.9394 -4.41194 -25.9394 34.6798 -36.0704 -4.41202 -36.0704 13.8506 GPRESSAVG: 518400 -30.436 -24.7264 -4.86843 -26.7801 36.1875 -36.4361 -3.21747 -35.7341 14.2955 TIMING: 518400 CPU: 1631.78, 0.00316987/step Wall: 1631.78, 0.00316987/step, 3.94614 hours remaining, 235.484375 MB of memory in use. ENERGY: 518400 4050.9790 20396.1194 14582.6459 253.0892 -203066.0303 2397.2579 0.0000 0.0000 51993.9902 -109391.9487 298.8102 -161385.9389 -109039.2451 298.8894 -179.1665 -140.6468 761383.1407 6.7299 6.6823 PRESSURE: 518600 -175.529 27.5741 74.8116 27.5734 -215.117 -171.338 74.811 -171.338 276.4 GPRESSURE: 518600 -33.0256 129.097 17.5556 -69.1661 -169.825 -230.487 124.013 -52.5091 163.069 PRESSAVG: 518600 -3.09848 2.67466 17.177 2.67462 11.4244 10.4982 17.1769 10.4982 -15.2707 GPRESSAVG: 518600 -0.40591 2.57855 17.5891 2.12824 9.28141 10.8674 16.5984 10.1301 -16.0861 TIMING: 518600 CPU: 1632.41, 0.00316573/step Wall: 1632.41, 0.00316573/step, 3.94081 hours remaining, 235.484375 MB of memory in use. ENERGY: 518600 3931.3589 20596.2307 14523.7056 230.3844 -203020.2166 2406.6404 0.0000 0.0000 51882.2148 -109449.6817 298.1678 -161331.8965 -109089.4516 298.8286 -38.0822 -13.2606 763009.0550 -2.3149 -2.4035 PRESSURE: 518800 -26.4432 -38.1541 198.118 -38.1544 20.3965 -47.5804 198.116 -47.5803 48.5933 GPRESSURE: 518800 21.5104 -6.86058 123.558 -37.5107 38.2187 -15.5805 163.43 -172.175 83.9977 PRESSAVG: 518800 0.408956 -33.2298 -6.96304 -33.2298 -1.57189 -33.779 -6.96301 -33.779 25.6865 GPRESSAVG: 518800 -1.15754 -32.5707 -7.04713 -33.7493 -0.876805 -35.2787 -7.09511 -31.166 26.3089 TIMING: 518800 CPU: 1633.05, 0.0031959/step Wall: 1633.05, 0.0031959/step, 3.97819 hours remaining, 235.484375 MB of memory in use. ENERGY: 518800 3963.4629 20667.2715 14533.6567 246.1668 -203220.7318 2563.2875 0.0000 0.0000 51957.3312 -109289.5552 298.5995 -161246.8864 -108935.0227 299.1078 14.1822 47.9089 761834.3975 8.1745 8.0915 PRESSURE: 519000 -321.192 -112.645 6.76144 -112.644 -134.784 24.5137 6.76088 24.5133 -226.617 GPRESSURE: 519000 -225.244 -131.526 -21.6986 -54.6023 -118.513 -37.2884 -0.759059 -116.626 -244.352 PRESSAVG: 519000 -26.2796 -40.0222 -36.6559 -40.0222 48.782 -17.095 -36.6559 -17.095 0.605503 GPRESSAVG: 519000 -25.5708 -43.258 -35.7219 -37.5483 49.2332 -16.0784 -38.0345 -19.9508 -0.325828 TIMING: 519000 CPU: 1633.69, 0.00318496/step Wall: 1633.69, 0.00318496/step, 3.96439 hours remaining, 235.484375 MB of memory in use. ENERGY: 519000 3981.2314 20447.8825 14460.3231 237.2354 -203089.5375 2463.6164 0.0000 0.0000 52244.3391 -109254.9095 300.2489 -161499.2486 -108896.2367 299.5580 -227.5307 -196.0362 762008.9801 7.7026 7.7788 PRESSURE: 519200 435.603 42.9275 -119.281 42.9282 355.493 -122.095 -119.282 -122.095 20.4702 GPRESSURE: 519200 383.247 64.0265 -181.021 17.6322 433.998 -29.9427 -64.7583 -107.611 72.0801 PRESSAVG: 519200 1.25549 -86.2032 -20.2764 -86.2032 38.0655 -17.5351 -20.2764 -17.5352 -1.33624 GPRESSAVG: 519200 0.0289486 -85.5677 -21.447 -85.5283 38.9782 -17.2123 -17.6865 -18.2921 -1.30354 TIMING: 519200 CPU: 1634.32, 0.0031512/step Wall: 1634.32, 0.0031512/step, 3.92219 hours remaining, 235.484375 MB of memory in use. ENERGY: 519200 4002.1767 20558.5118 14446.8637 236.4321 -204001.9932 3179.2073 0.0000 0.0000 52250.3865 -109328.4150 300.2837 -161578.8015 -108976.2637 298.9791 270.5219 296.4417 760038.5179 12.6616 12.5679 PRESSURE: 519400 -61.0106 -113.825 -117.888 -113.826 -310.362 111.351 -117.888 111.35 -317.206 GPRESSURE: 519400 56.898 -147.696 -180.054 -44.2585 -364.583 161.974 -134.699 32.1706 -308.65 PRESSAVG: 519400 27.5121 0.0328244 41.1835 0.0328037 -0.989312 34.6957 41.1836 34.6958 15.2096 GPRESSAVG: 519400 28.1273 -0.578785 42.4769 -0.672499 -2.41898 33.6788 38.0556 35.5502 15.4306 TIMING: 519400 CPU: 1634.95, 0.00316051/step Wall: 1634.95, 0.00316051/step, 3.9336 hours remaining, 235.484375 MB of memory in use. ENERGY: 519400 4042.9814 20576.3776 14495.0455 251.6959 -203164.9245 2394.3808 0.0000 0.0000 52118.7516 -109285.6917 299.5272 -161404.4432 -108929.6914 299.4041 -229.5263 -205.4450 762004.7415 13.9108 13.7130 PRESSURE: 519600 -201.561 172.6 278.096 172.6 -273.494 214.411 278.095 214.411 -125.448 GPRESSURE: 519600 -194.036 185.07 325.469 184.425 -147.379 104.354 299.158 243.846 -179.187 PRESSAVG: 519600 -24.3945 -24.023 60.3272 -24.023 3.88827 -31.8481 60.3272 -31.8481 10.9159 GPRESSAVG: 519600 -24.9068 -24.2268 58.7222 -23.4859 4.21447 -29.9198 61.2369 -34.5137 11.3889 TIMING: 519600 CPU: 1635.59, 0.00317345/step Wall: 1635.59, 0.00317345/step, 3.94954 hours remaining, 235.484375 MB of memory in use. ENERGY: 519600 3907.4265 20598.5384 14480.9869 256.9354 -203570.0811 2712.6481 0.0000 0.0000 52260.0329 -109353.5131 300.3391 -161613.5459 -108995.6513 299.1507 -200.1675 -173.5339 761374.0254 -3.1968 -3.1011 PRESSURE: 519800 -35.7072 -24.6787 78.2522 -24.6791 12.3082 217.071 78.252 217.072 -30.8994 GPRESSURE: 519800 35.4446 2.31111 96.6894 -36.8601 5.81235 104.632 60.2978 271.51 -3.42503 PRESSAVG: 519800 -24.3305 -25.7605 25.8566 -25.7606 -10.9425 54.1166 25.8566 54.1167 -3.75157 GPRESSAVG: 519800 -25.5648 -25.6394 26.1779 -27.3516 -9.63409 53.8388 27.0687 56.9403 -3.52228 TIMING: 519800 CPU: 1636.22, 0.00315073/step Wall: 1636.22, 0.00315073/step, 3.92108 hours remaining, 235.484375 MB of memory in use. ENERGY: 519800 3878.1600 20491.2067 14600.6176 246.1395 -202945.8873 2299.1580 0.0000 0.0000 51942.7612 -109487.8442 298.5158 -161430.6054 -109123.4420 299.0125 -18.0995 12.6107 761893.4021 -13.0082 -12.9070 PRESSURE: 520000 -104.593 -134.495 -81.7286 -134.494 -277.213 127.904 -81.7292 127.905 -21.8121 GPRESSURE: 520000 -91.1042 -201.864 -101.031 -255.201 -316.509 170.482 -54.5637 174.616 64.1975 PRESSAVG: 520000 -30.86 -0.0775474 -13.8938 -0.0775162 25.6516 -43.2205 -13.8939 -43.2205 -0.982407 GPRESSAVG: 520000 -30.3486 -0.990114 -14.0464 0.184528 25.1106 -44.8244 -13.2941 -44.0635 -0.621723 TIMING: 520000 CPU: 1636.86, 0.00320079/step Wall: 1636.86, 0.00320079/step, 3.9832 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: 520000 4045.5177 20528.8326 14478.8436 241.0044 -202744.5725 2159.9134 0.0000 0.0000 51870.5061 -109419.9547 298.1005 -161290.4608 -109057.9460 299.0491 -134.5393 -114.4719 761489.7727 -2.0636 -1.9532 PRESSURE: 520200 -326.959 -66.6085 -92.5236 -66.6093 78.0894 205.78 -92.524 205.78 13.1697 GPRESSURE: 520200 -312.163 -120.295 -180.843 -22.0551 202.583 185.67 -20.1827 118.472 -30.7333 PRESSAVG: 520200 -12.5487 -17.7889 17.5214 -17.7889 25.2943 -25.0598 17.5214 -25.0598 -12.943 GPRESSAVG: 520200 -11.6971 -16.3279 18.6593 -19.6634 24.9553 -23.9327 18.1962 -27.9531 -13.2849 TIMING: 520200 CPU: 1637.49, 0.00317819/step Wall: 1637.49, 0.00317819/step, 3.95491 hours remaining, 235.484375 MB of memory in use. ENERGY: 520200 4013.2236 20542.3921 14563.2063 263.7888 -203499.3475 2656.2147 0.0000 0.0000 51979.3662 -109481.1557 298.7261 -161460.5219 -109130.6693 298.9884 -78.5666 -46.7709 760533.3450 -0.0658 -0.0089 LDB: ============= START OF LOAD BALANCING ============== 1649.95 LDB: ============== END OF LOAD BALANCING =============== 1649.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1649.95 LDB: ============= START OF LOAD BALANCING ============== 1650.26 LDB: Largest compute 7075 load 0.033059 is 17.0% of average load 0.194892 LDB: Average compute 0.004396 is 2.3% of average load 0.194892 LDB: TIME 1650.27 LOAD: AVG 0.194892 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.766 MB LDB: TIME 1650.27 LOAD: AVG 0.194892 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.766 MB LDB: TIME 1650.27 LOAD: AVG 0.194892 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.766 MB LDB: ============== END OF LOAD BALANCING =============== 1650.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1650.27 PRESSURE: 520400 58.7355 182.552 90.5299 182.552 -70.5599 10.9635 90.5301 10.9629 -205.452 GPRESSURE: 520400 18.5333 138.201 163.429 245.543 61.411 43.3454 -61.8123 104.454 -186.597 PRESSAVG: 520400 -8.91243 -26.4221 -14.1553 -26.4221 15.6078 -4.12713 -14.1552 -4.12723 4.97255 GPRESSAVG: 520400 -8.83952 -25.6738 -13.4506 -24.8137 14.7958 -5.64369 -16.1097 -1.58596 5.45051 TIMING: 520400 CPU: 1638.14, 0.00322908/step Wall: 1638.14, 0.00322908/step, 4.01806 hours remaining, 236.050781 MB of memory in use. ENERGY: 520400 4078.2043 20276.8792 14520.6902 250.4382 -203268.7045 2623.5983 0.0000 0.0000 52301.7314 -109217.1629 300.5788 -161518.8943 -108836.2000 299.1163 -72.4255 -35.5510 761386.8214 3.8893 3.8023 PRESSURE: 520600 -61.9311 15.2823 117.008 15.2827 -315.432 -175.897 117.007 -175.896 -62.3762 GPRESSURE: 520600 -98.1636 132.535 132.596 -60.5417 -194.518 -105.488 71.0026 -239.692 -69.502 PRESSAVG: 520600 15.3461 -23.4858 -19.4209 -23.4859 -9.37506 15.0339 -19.4209 15.0339 2.54342 GPRESSAVG: 520600 13.9577 -24.9845 -19.883 -23.0994 -8.49177 17.2125 -20.5056 16.8051 2.44325 TIMING: 520600 CPU: 1638.77, 0.00315575/step Wall: 1638.77, 0.00315575/step, 3.92663 hours remaining, 236.050781 MB of memory in use. ENERGY: 520600 4035.1026 20467.0541 14515.7844 260.6649 -202896.7701 2289.8252 0.0000 0.0000 52126.6181 -109201.7208 299.5724 -161328.3389 -108832.5958 299.7465 -146.5798 -120.7278 762245.8881 2.8381 2.6364 PRESSURE: 520800 -112.544 78.4433 -204.875 78.4431 -351.248 76.567 -204.876 76.5665 -245.33 GPRESSURE: 520800 -110.004 -17.6667 -184.709 69.426 -265.977 54.5948 -197.736 23.4042 -273.525 PRESSAVG: 520800 -27.7957 -33.5211 47.7819 -33.5211 10.3417 14.7927 47.7819 14.7926 4.65242 GPRESSAVG: 520800 -25.8044 -33.1025 47.4053 -33.7144 9.07431 13.1714 49.0926 13.7652 3.53556 TIMING: 520800 CPU: 1639.4, 0.00315966/step Wall: 1639.4, 0.00315966/step, 3.93131 hours remaining, 236.050781 MB of memory in use. ENERGY: 520800 4022.1429 20571.6699 14560.8102 254.0004 -203062.5423 2316.3765 0.0000 0.0000 52030.8771 -109306.6654 299.0222 -161337.5425 -108941.2402 299.6125 -236.3744 -216.5018 760024.2569 -4.2672 -4.3982 PRESSURE: 521000 27.8183 57.0837 61.9328 57.0838 -36.1347 84.4954 61.933 84.4941 237.131 GPRESSURE: 521000 73.3373 44.7897 76.3529 111.188 -64.1494 89.9556 26.5943 59.8029 319.324 PRESSAVG: 521000 -48.079 -48.3501 27.0313 -48.3501 15.8605 36.0397 27.0313 36.0398 0.0778301 GPRESSAVG: 521000 -50.0983 -48.8983 28.2827 -47.8804 16.5737 37.604 26.8956 34.5291 1.43556 TIMING: 521000 CPU: 1640.03, 0.00314185/step Wall: 1640.03, 0.00314185/step, 3.90899 hours remaining, 236.050781 MB of memory in use. ENERGY: 521000 3998.8748 20479.0712 14521.3034 233.3131 -202991.5967 2559.5294 0.0000 0.0000 52115.5181 -109083.9868 299.5086 -161199.5049 -108705.4542 299.4058 76.2715 109.5039 761864.9132 -10.7136 -10.6964 PRESSURE: 521200 173.393 -320.716 231.91 -320.716 335.302 -43.942 231.91 -43.9413 2.32802 GPRESSURE: 521200 219.671 -350.25 311.396 -250.52 390.989 -85.9508 249.595 62.8373 -19.3463 PRESSAVG: 521200 -26.7 -57.1174 0.847028 -57.1174 39.1899 -26.7919 0.847094 -26.792 -16.1428 GPRESSAVG: 521200 -25.7749 -59.1038 0.376443 -55.0762 38.5962 -27.9376 1.21073 -23.9699 -16.5743 TIMING: 521200 CPU: 1640.66, 0.00315402/step Wall: 1640.66, 0.00315402/step, 3.92396 hours remaining, 236.050781 MB of memory in use. ENERGY: 521200 4054.3085 20576.6822 14568.9510 230.8653 -203137.4209 2593.7305 0.0000 0.0000 52186.2063 -108926.6771 299.9148 -161112.8834 -108567.6554 300.0007 170.3411 197.1046 760790.0397 -1.2176 -1.2510 PRESSURE: 521400 -468.311 -322.888 -124.539 -322.888 -350.299 -60.8257 -124.539 -60.8244 -375.688 GPRESSURE: 521400 -430.815 -234.332 -3.96608 -288.42 -252.666 -36.3004 7.92746 -103.389 -414.828 PRESSAVG: 521400 20.2668 -88.7888 4.65073 -88.7888 -2.33484 -40.3827 4.65078 -40.3826 3.15958 GPRESSAVG: 521400 20.2119 -85.4612 6.45721 -91.2607 -2.5384 -39.7861 5.39896 -40.83 2.68665 TIMING: 521400 CPU: 1641.29, 0.00315587/step Wall: 1641.29, 0.00315587/step, 3.92607 hours remaining, 236.050781 MB of memory in use. ENERGY: 521400 4053.1835 20651.5647 14535.8163 261.1402 -202819.1270 2384.7979 0.0000 0.0000 52089.8417 -108842.7826 299.3610 -160932.6243 -108485.9507 300.9045 -398.0991 -366.1031 761889.3877 7.0305 6.7867 PRESSURE: 521600 341.568 -93.1946 -125.235 -93.1942 177.443 -25.7281 -125.235 -25.727 -178.381 GPRESSURE: 521600 252.638 -194.682 -113.675 -32.6025 254.316 -46.4748 -83.5608 72.8136 -88.8725 PRESSAVG: 521600 20.3918 -20.8361 -14.752 -20.8361 -41.9025 -39.1966 -14.752 -39.1966 2.41095 GPRESSAVG: 521600 19.9269 -23.5005 -16.1992 -17.3304 -41.9416 -39.3888 -16.3082 -39.1015 3.22067 TIMING: 521600 CPU: 1641.92, 0.00316187/step Wall: 1641.92, 0.00316187/step, 3.93337 hours remaining, 236.050781 MB of memory in use. ENERGY: 521600 4001.9224 20547.3828 14434.6168 224.6508 -203049.8243 2585.0974 0.0000 0.0000 52286.9668 -108969.1873 300.4939 -161256.1541 -108606.1331 300.4438 113.5432 139.3604 760262.6083 -6.3666 -6.2647 PRESSURE: 521800 -227.469 -59.127 -164.624 -59.1264 -499.018 41.0595 -164.625 41.059 4.58049 GPRESSURE: 521800 -191.167 -123.18 -119.876 -72.6651 -442.961 69.3141 -146.564 -55.267 6.18739 PRESSAVG: 521800 17.4638 -49.9507 1.67138 -49.9508 46.5566 -16.6402 1.67134 -16.6402 -10.4317 GPRESSAVG: 521800 18.0466 -48.1521 2.31261 -52.4123 46.7307 -15.1365 2.92178 -18.4427 -10.6108 TIMING: 521800 CPU: 1642.55, 0.00315147/step Wall: 1642.55, 0.00315147/step, 3.92025 hours remaining, 236.050781 MB of memory in use. ENERGY: 521800 4034.9197 20537.2114 14539.4970 244.2472 -203113.1770 2435.4159 0.0000 0.0000 52134.4183 -109187.4675 299.6172 -161321.8858 -108835.4318 300.5321 -240.6357 -209.3137 761533.9497 17.8629 18.0555 PRESSURE: 522000 233.332 -208.513 63.2029 -208.514 174.52 86.8723 63.2031 86.8719 14.5137 GPRESSURE: 522000 220.987 -219.644 -6.95 -109.563 279.885 17.6736 22.6182 140.325 13.9467 PRESSAVG: 522000 26.7106 -33.39 7.32428 -33.3901 22.7535 -16.5564 7.32435 -16.5564 -8.29778 GPRESSAVG: 522000 26.6647 -34.0284 4.49169 -33.2416 23.3492 -17.2101 8.43524 -15.6629 -8.74286 TIMING: 522000 CPU: 1643.19, 0.003157/step Wall: 1643.19, 0.003157/step, 3.92696 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: 522000 4032.6514 20670.1718 14400.9475 262.7705 -203902.3017 3113.8233 0.0000 0.0000 52214.2072 -109207.7300 300.0758 -161421.9372 -108845.8467 300.0732 140.7885 171.6060 760555.8202 13.7221 13.7570 PRESSURE: 522200 47.641 -43.7041 -169.013 -43.7039 110.688 72.676 -169.013 72.6763 20.925 GPRESSURE: 522200 69.3887 -5.04466 -162.556 -116.425 183.785 67.6655 -216.288 65.495 21.1217 PRESSAVG: 522200 -3.12682 -43.2935 -8.54735 -43.2935 29.2816 40.7952 -8.5473 40.7952 -16.49 GPRESSAVG: 522200 -2.84211 -42.049 -7.05439 -44.0408 28.9622 39.6422 -9.19841 40.2212 -16.0153 TIMING: 522200 CPU: 1643.82, 0.00318891/step Wall: 1643.82, 0.00318891/step, 3.96647 hours remaining, 236.050781 MB of memory in use. ENERGY: 522200 3944.9127 20631.8179 14422.9280 231.6180 -203275.4289 2593.5048 0.0000 0.0000 51923.8917 -109526.7557 298.4073 -161450.6475 -109173.7764 299.4626 59.7513 91.4318 760931.2741 3.2216 3.3683 PRESSURE: 522400 -382.677 149.76 -80.6777 149.759 46.8724 34.2244 -80.6772 34.2238 284.909 GPRESSURE: 522400 -328.979 61.7208 -77.4496 83.9112 59.5458 39.5564 -101.633 -109.531 306.959 PRESSAVG: 522400 -9.36174 -39.5369 21.5956 -39.5369 7.13153 -10.4863 21.5955 -10.4864 7.13629 GPRESSAVG: 522400 -10.1918 -41.2387 22.6743 -38.516 7.98511 -9.85212 23.2576 -9.67325 6.79136 TIMING: 522400 CPU: 1644.47, 0.00321928/step Wall: 1644.47, 0.00321928/step, 4.00407 hours remaining, 236.050781 MB of memory in use. ENERGY: 522400 3982.6254 20416.4378 14503.3853 241.0505 -202956.9517 2359.3403 0.0000 0.0000 52064.1912 -109389.9213 299.2136 -161454.1125 -109026.6435 298.9249 -16.9650 12.5087 762413.9330 1.6354 1.5282 PRESSURE: 522600 -160.841 -173.248 114.734 -173.248 53.3566 161.524 114.734 161.523 140.708 GPRESSURE: 522600 -133.982 -134.557 81.7742 -30.5892 60.7713 118.328 61.1214 164.646 182.542 PRESSAVG: 522600 17.2212 -6.34825 25.7221 -6.34821 24.1436 11.3808 25.7221 11.3809 1.57153 GPRESSAVG: 522600 17.3742 -6.02034 26.4927 -4.82332 23.7286 10.0752 22.5453 11.3172 1.92978 TIMING: 522600 CPU: 1645.12, 0.00324671/step Wall: 1645.12, 0.00324671/step, 4.038 hours remaining, 236.050781 MB of memory in use. ENERGY: 522600 4037.0273 20539.2560 14490.2102 256.1807 -203406.7161 2566.3359 0.0000 0.0000 52113.2628 -109404.4432 299.4956 -161517.7060 -109037.2847 299.4409 11.0743 36.4437 759539.9676 14.3121 14.3442 PRESSURE: 522800 -57.0708 -34.4193 327.387 -34.4188 40.3716 345.47 327.388 345.47 78.8962 GPRESSURE: 522800 -52.5367 31.7489 338.853 -4.05317 141.902 343.633 259.596 301.364 53.2777 PRESSAVG: 522800 73.131 -21.9255 9.32944 -21.9255 -41.1839 -21.781 9.32942 -21.781 17.0587 GPRESSAVG: 522800 74.3002 -22.4696 6.85023 -22.2611 -42.5474 -20.7367 11.4573 -23.7334 17.6854 TIMING: 522800 CPU: 1645.76, 0.00321994/step Wall: 1645.76, 0.00321994/step, 4.00453 hours remaining, 236.050781 MB of memory in use. ENERGY: 522800 4036.2419 20461.4151 14426.6797 224.1826 -203265.4703 2609.2581 0.0000 0.0000 52132.6153 -109375.0777 299.6069 -161507.6930 -109015.4786 299.5808 20.7323 47.5476 761046.2480 16.3353 16.4794 PRESSURE: 523000 -293.221 103.699 -42.6494 103.699 -231.335 -61.0116 -42.6496 -61.0108 91.5493 GPRESSURE: 523000 -135.463 91.2047 -32.3421 34.5654 -174.961 -28.3029 4.86104 13.5345 -31.9816 PRESSAVG: 523000 -0.903991 11.0104 -0.459558 11.0104 8.81162 26.2533 -0.459598 26.2533 -12.7758 GPRESSAVG: 523000 -0.602797 12.8514 1.86734 10.0625 9.86434 26.0532 2.47836 26.9183 -14.0457 TIMING: 523000 CPU: 1646.41, 0.00323761/step Wall: 1646.41, 0.00323761/step, 4.02633 hours remaining, 236.050781 MB of memory in use. ENERGY: 523000 4089.9657 20357.2947 14419.1861 246.8227 -203014.6571 2513.9069 0.0000 0.0000 52069.1482 -109318.3329 299.2421 -161387.4811 -108946.1547 298.5667 -144.3356 -114.1353 762377.4323 -1.6227 -1.5947 PRESSURE: 523200 -60.7026 -24.6506 102.848 -24.6507 -267.27 15.3631 102.849 15.3624 -670.414 GPRESSURE: 523200 -97.4986 30.6718 74.3979 -104.32 -190.281 7.44859 122.906 0.0969957 -624.006 PRESSAVG: 523200 52.8606 0.756826 49.3381 0.75683 -46.1889 -3.44487 49.3382 -3.44482 0.225667 GPRESSAVG: 523200 53.2777 -1.41724 46.6134 -0.49145 -47.103 -2.93153 48.5843 -1.00083 0.29169 TIMING: 523200 CPU: 1647.04, 0.00317319/step Wall: 1647.04, 0.00317319/step, 3.94604 hours remaining, 236.050781 MB of memory in use. ENERGY: 523200 4067.9771 20590.2849 14492.5036 255.4238 -203031.8719 2328.2189 0.0000 0.0000 52264.9246 -109032.5389 300.3672 -161297.4635 -108661.2009 299.3469 -332.7956 -303.9283 761505.6918 2.2991 2.1555 PRESSURE: 523400 -1.06613 108.736 -238.104 108.736 97.69 122.665 -238.104 122.665 109.322 GPRESSURE: 523400 10.3493 9.13498 -289.592 103.474 187.638 52.3657 -251.586 57.771 115.717 PRESSAVG: 523400 8.05535 -28.6905 26.1867 -28.6905 -32.3995 -5.5698 26.1868 -5.56986 5.44051 GPRESSAVG: 523400 6.47871 -28.1344 26.6354 -27.351 -31.5487 -5.87619 24.4343 -6.45829 6.91032 TIMING: 523400 CPU: 1647.68, 0.00316727/step Wall: 1647.68, 0.00316727/step, 3.9385 hours remaining, 236.050781 MB of memory in use. ENERGY: 523400 4017.3653 20319.2005 14456.3547 271.6571 -203034.1374 2552.4741 0.0000 0.0000 52295.2309 -109121.8546 300.5414 -161417.0855 -108747.8355 299.8673 68.6485 104.5683 761348.7330 -6.3012 -6.0532 PRESSURE: 523600 -50.2403 -84.8396 101.519 -84.8391 -29.7868 36.6177 101.519 36.6175 274.361 GPRESSURE: 523600 -2.14895 94.6261 88.2987 -128.282 41.1247 33.6703 -21.5427 -16.7498 235.567 PRESSAVG: 523600 9.03965 -63.8614 18.7559 -63.8614 12.5002 25.205 18.756 25.205 7.38324 GPRESSAVG: 523600 9.83038 -64.198 20.118 -63.2612 13.405 24.8242 18.7776 23.562 6.30831 TIMING: 523600 CPU: 1648.32, 0.00319273/step Wall: 1648.32, 0.00319273/step, 3.96998 hours remaining, 236.050781 MB of memory in use. ENERGY: 523600 3946.8105 20564.4843 14492.8820 246.0303 -202927.5822 2470.4685 0.0000 0.0000 52087.6872 -109119.2194 299.3487 -161206.9067 -108757.6258 299.7874 64.7779 91.5144 762516.3685 9.6410 9.8479 PRESSURE: 523800 94.4714 -35.8628 -79.5758 -35.863 -313.96 48.9037 -79.5759 48.9037 -168.396 GPRESSURE: 523800 92.314 -54.3751 -99.6176 78.6188 -255.36 57.0451 132.1 214.952 -169.704 PRESSAVG: 523800 44.1138 -34.7321 -9.09829 -34.732 -38.5201 -6.03282 -9.09832 -6.03291 9.7822 GPRESSAVG: 523800 44.4799 -33.9519 -8.80101 -35.3567 -38.9076 -5.19491 -11.5182 -5.74058 10.1381 TIMING: 523800 CPU: 1648.95, 0.00316683/step Wall: 1648.95, 0.00316683/step, 3.9376 hours remaining, 236.050781 MB of memory in use. ENERGY: 523800 3999.4812 20526.2755 14418.9757 258.0746 -203056.8309 2404.5755 0.0000 0.0000 52134.4204 -109315.0280 299.6172 -161449.4484 -108951.9084 299.4441 -129.2950 -110.9170 761970.0271 5.1253 5.2368 PRESSURE: 524000 -68.9588 -250.734 49.4434 -250.734 -266.197 -290.318 49.4432 -290.317 -14.4818 GPRESSURE: 524000 47.9087 -88.9387 26.4372 -219.546 -213.903 -267.712 175.475 -245.929 -101.834 PRESSAVG: 524000 59.9065 -36.5036 25.6574 -36.5036 -63.6596 1.4141 25.6574 1.41411 15.684 GPRESSAVG: 524000 60.0994 -36.0295 26.6013 -36.3249 -63.3993 1.15947 27.2434 -0.951888 15.2114 TIMING: 524000 CPU: 1649.58, 0.00315876/step Wall: 1649.58, 0.00315876/step, 3.92739 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: 524000 3962.4694 20666.1335 14447.3695 230.8454 -203091.7494 2305.9414 0.0000 0.0000 52117.2120 -109361.7781 299.5183 -161478.9901 -108999.1297 299.2646 -116.5457 -89.2763 762198.3710 3.9770 3.9705 PRESSURE: 524200 78.6352 -4.5026 66.5257 -4.50226 -42.1512 -134.646 66.5261 -134.645 95.4037 GPRESSURE: 524200 61.4924 7.461 86.5051 -38.8771 31.3288 -58.4985 40.8356 -119.406 140.614 PRESSAVG: 524200 21.7493 -14.485 42.3094 -14.485 3.79524 17.2215 42.3095 17.2214 24.8336 GPRESSAVG: 524200 21.5932 -14.4218 42.86 -15.7269 4.38619 16.4148 42.2557 20.0633 24.4434 TIMING: 524200 CPU: 1650.21, 0.00315357/step Wall: 1650.21, 0.00315357/step, 3.92076 hours remaining, 236.050781 MB of memory in use. ENERGY: 524200 4040.6814 20538.4711 14571.6780 236.9876 -202991.8142 2430.5379 0.0000 0.0000 51855.5043 -109317.9540 298.0143 -161173.4583 -108959.7305 298.9666 43.9626 77.8116 760267.2207 16.7927 16.8076 LDB: ============= START OF LOAD BALANCING ============== 1662.66 LDB: ============== END OF LOAD BALANCING =============== 1662.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1662.66 LDB: ============= START OF LOAD BALANCING ============== 1662.98 LDB: Largest compute 7076 load 0.036757 is 18.8% of average load 0.195053 LDB: Average compute 0.004394 is 2.3% of average load 0.195053 LDB: TIME 1662.98 LOAD: AVG 0.195053 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.078 MB LDB: TIME 1662.98 LOAD: AVG 0.195053 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 1662.98 LOAD: AVG 0.195053 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 1662.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1662.99 PRESSURE: 524400 -416.245 98.166 -194.682 98.1662 -138.6 -27.416 -194.683 -27.4171 -362.654 GPRESSURE: 524400 -370.593 137.82 -183.812 119.629 -75.2572 12.7747 -211.413 16.1568 -383.319 PRESSAVG: 524400 32.4277 -34.5214 -5.036 -34.5214 -13.341 -0.906377 -5.03596 -0.906386 -12.5014 GPRESSAVG: 524400 31.9707 -34.6543 -6.73055 -34.2795 -13.5847 -1.47372 -5.64774 -2.69745 -11.4153 TIMING: 524400 CPU: 1650.85, 0.00320728/step Wall: 1650.85, 0.00320728/step, 3.98736 hours remaining, 236.621094 MB of memory in use. ENERGY: 524400 4125.8606 20463.1909 14521.4791 251.1011 -203579.2557 2632.0467 0.0000 0.0000 52150.5763 -109435.0010 299.7101 -161585.5773 -109069.1203 299.2002 -305.8331 -276.3895 760248.0771 2.1951 2.3236 PRESSURE: 524600 0.833026 15.1063 -2.10004 15.1061 -85.1288 -232.34 -2.09928 -232.339 -699.208 GPRESSURE: 524600 7.16008 -35.6305 113.564 26.9223 -79.7734 -251.216 11.706 -204.333 -637.122 PRESSAVG: 524600 16.9583 -72.6271 -36.0089 -72.6272 -19.1502 14.2558 -36.0089 14.2557 -6.79871 GPRESSAVG: 524600 17.5542 -74.0009 -35.6587 -72.9156 -19.4606 15.195 -34.7032 13.1847 -6.85976 TIMING: 524600 CPU: 1651.48, 0.00314325/step Wall: 1651.48, 0.00314325/step, 3.90759 hours remaining, 236.687500 MB of memory in use. ENERGY: 524600 3984.6175 20555.8747 14597.2415 246.8565 -203318.1853 2373.2739 0.0000 0.0000 52453.8460 -109106.4752 301.4530 -161560.3212 -108741.3638 299.8466 -261.1678 -236.5785 760968.1721 -2.9969 -2.9221 PRESSURE: 524800 106.846 -31.583 -215.932 -31.583 44.5681 33.195 -215.933 33.195 158.418 GPRESSURE: 524800 138.696 -134.556 -140.727 127.261 37.1493 29.2229 -81.6303 118.389 218.157 PRESSAVG: 524800 70.2915 -34.9098 -35.6096 -34.9097 -36.9058 -7.93457 -35.6095 -7.93454 15.1337 GPRESSAVG: 524800 69.2988 -33.1134 -34.3587 -34.1815 -36.8831 -8.62357 -35.6159 -5.05193 15.8132 TIMING: 524800 CPU: 1652.11, 0.00314758/step Wall: 1652.11, 0.00314758/step, 3.91279 hours remaining, 236.687500 MB of memory in use. ENERGY: 524800 3961.4776 20453.9888 14561.1717 251.6894 -203043.9189 2615.0315 0.0000 0.0000 52139.3260 -109061.2338 299.6454 -161200.5599 -108700.0691 299.8152 103.2775 131.3341 761897.9479 16.1732 16.0763 PRESSURE: 525000 -187.649 -142.591 96.9897 -142.592 -274.693 -169.649 96.9899 -169.65 -188.339 GPRESSURE: 525000 -162.234 -182.207 65.2859 -67.829 -248.945 -184.401 115.817 -118.323 -130.087 PRESSAVG: 525000 32.4615 -6.02704 13.7223 -6.02698 -23.4562 12.2684 13.7224 12.2683 1.86042 GPRESSAVG: 525000 31.9692 -5.0054 12.1414 -6.83488 -22.2713 13.2059 15.6315 10.4169 0.9277 TIMING: 525000 CPU: 1652.74, 0.00313504/step Wall: 1652.74, 0.00313504/step, 3.89703 hours remaining, 236.687500 MB of memory in use. ENERGY: 525000 4000.7321 20387.1684 14536.5966 249.3767 -203055.2606 2606.2165 0.0000 0.0000 52049.5676 -109225.6026 299.1296 -161275.1702 -108867.2080 299.5302 -216.8935 -180.4220 761626.1947 3.6219 3.5419 PRESSURE: 525200 -154.472 31.6691 69.9463 31.669 -41.9505 153.566 69.9463 153.565 136.517 GPRESSURE: 525200 -72.6115 69.4232 84.7227 2.54276 -52.4458 110.709 163.668 91.9178 159.718 PRESSAVG: 525200 34.321 -55.2457 32.0702 -55.2457 -19.3697 -5.14319 32.0701 -5.14322 15.8553 GPRESSAVG: 525200 35.1593 -57.2178 33.0091 -54.0502 -20.5035 -5.27713 29.8517 -4.2576 15.9647 TIMING: 525200 CPU: 1653.37, 0.00316539/step Wall: 1653.37, 0.00316539/step, 3.93458 hours remaining, 236.687500 MB of memory in use. ENERGY: 525200 4023.2053 20500.5789 14536.7121 258.4008 -203184.9305 2555.3367 0.0000 0.0000 51968.0352 -109342.6614 298.6610 -161310.6967 -108984.0321 299.4160 -19.9686 11.5535 761482.9070 10.2689 10.2068 PRESSURE: 525400 -128.916 -16.1494 88.4607 -16.1478 -348.772 -169.859 88.4604 -169.858 -260.319 GPRESSURE: 525400 -68.6025 -70.4975 216.754 -97.4807 -371.143 -168.971 48.5357 -122.038 -202.687 PRESSAVG: 525400 24.6518 -49.8839 -1.06945 -49.8838 1.96612 30.716 -1.06947 30.716 4.90932 GPRESSAVG: 525400 25.3043 -49.3454 -0.962057 -49.871 1.31586 30.2017 -1.32516 32.1942 4.81481 TIMING: 525400 CPU: 1654, 0.00315097/step Wall: 1654, 0.00315097/step, 3.91648 hours remaining, 236.687500 MB of memory in use. ENERGY: 525400 4028.6793 20460.2197 14574.2318 243.8790 -203203.1352 2424.1244 0.0000 0.0000 52310.4819 -109161.5192 300.6291 -161472.0011 -108783.9448 299.9306 -246.0020 -214.1439 762096.2304 10.5091 10.4783 PRESSURE: 525600 319.832 -62.6315 -177.359 -62.6309 -229.742 8.32293 -177.359 8.32422 -152.451 GPRESSURE: 525600 235.725 -101.998 -268.884 -129.283 -141.46 80.2053 -20.2127 -20.1358 -87.5145 PRESSAVG: 525600 -11.3147 -94.8103 15.8191 -94.8103 -14.4852 8.18416 15.8192 8.18422 5.35132 GPRESSAVG: 525600 -11.7791 -94.5518 14.578 -96.2669 -13.8516 7.24543 18.3954 6.74415 5.6635 TIMING: 525600 CPU: 1654.63, 0.00315008/step Wall: 1654.63, 0.00315008/step, 3.9152 hours remaining, 236.687500 MB of memory in use. ENERGY: 525600 3956.0577 20494.4231 14505.5898 243.8935 -203064.0681 2662.3537 0.0000 0.0000 52097.6979 -109104.0523 299.4062 -161201.7502 -108732.1343 300.0296 -20.7869 2.2504 760787.2480 -6.8162 -6.6557 PRESSURE: 525800 446.676 22.6628 -99.0963 22.6639 -33.8365 306.874 -99.0949 306.874 568.565 GPRESSURE: 525800 438.694 76.5081 -76.275 46.2366 45.4759 373.392 -82.0554 304.544 567.693 PRESSAVG: 525800 10.8001 -20.7623 7.89963 -20.7622 11.4779 -1.45407 7.89974 -1.45402 -0.195147 GPRESSAVG: 525800 11.2678 -22.7075 10.1488 -19.1474 11.3555 -0.403572 5.20532 -0.420639 -0.164479 TIMING: 525800 CPU: 1655.26, 0.00315929/step Wall: 1655.26, 0.00315929/step, 3.92648 hours remaining, 236.687500 MB of memory in use. ENERGY: 525800 3959.0302 20832.9724 14498.4848 263.5372 -203325.7624 2702.8692 0.0000 0.0000 52082.1996 -108986.6690 299.3171 -161068.8686 -108635.5604 300.3123 327.1349 350.6210 761684.1467 7.3609 7.4863 PRESSURE: 526000 -215.553 -204.625 32.0961 -204.625 -224.592 -3.7134 32.0954 -3.71429 -220.469 GPRESSURE: 526000 -260.855 -287.59 -24.7136 -103.066 -110.112 -34.1166 -31.9521 51.7236 -203.855 PRESSAVG: 526000 -30.3461 -53.7588 -21.2346 -53.7587 13.9555 -36.7371 -21.2346 -36.7371 -6.36047 GPRESSAVG: 526000 -30.0629 -52.961 -23.2432 -52.8256 14.5832 -35.9729 -21.3607 -38.2604 -6.77551 TIMING: 526000 CPU: 1655.9, 0.00319246/step Wall: 1655.9, 0.00319246/step, 3.96752 hours remaining, 236.687500 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: 526000 3955.9096 20573.3987 14396.1497 242.3708 -202917.9066 2392.1918 0.0000 0.0000 52351.6429 -109006.2432 300.8656 -161357.8861 -108636.1653 300.0752 -220.2045 -191.6074 762172.6002 -7.5837 -7.4184 PRESSURE: 526200 -280.747 163.684 -17.8116 163.684 58.7763 -198.292 -17.8109 -198.292 -40.8757 GPRESSURE: 526200 -230.346 109.05 -37.1556 30.8324 120.836 -238.457 -15.2597 -128.298 -79.445 PRESSAVG: 526200 31.5938 32.1808 33.1804 32.1809 -5.12928 -23.4366 33.1803 -23.4366 25.6291 GPRESSAVG: 526200 30.2743 31.2545 35.1636 30.2676 -4.77314 -25.6172 31.5534 -21.878 26.7905 TIMING: 526200 CPU: 1656.53, 0.00314567/step Wall: 1656.53, 0.00314567/step, 3.90919 hours remaining, 236.687500 MB of memory in use. ENERGY: 526200 3988.8937 20816.6181 14522.8950 246.0772 -203732.7707 2832.2893 0.0000 0.0000 52368.3018 -108957.6957 300.9614 -161325.9975 -108606.8787 300.2322 -87.6153 -62.9852 760429.5832 17.3645 17.4306 PRESSURE: 526400 411.399 325.867 144.005 325.867 29.4261 4.45436 144.004 4.45408 198.048 GPRESSURE: 526400 381.761 226.583 112.74 318.122 -1.60773 6.60422 113.919 127.206 344.909 PRESSAVG: 526400 49.7809 39.9216 54.0403 39.9217 -23.1496 13.1915 54.0403 13.1916 -9.27965 GPRESSAVG: 526400 50.449 41.3114 53.6638 39.9952 -23.1852 13.9165 53.5311 13.8144 -10.0575 TIMING: 526400 CPU: 1657.16, 0.00314535/step Wall: 1657.16, 0.00314535/step, 3.90863 hours remaining, 236.687500 MB of memory in use. ENERGY: 526400 3972.0415 20667.5016 14517.7734 262.3371 -203297.5309 2787.5602 0.0000 0.0000 52146.2997 -108944.0174 299.6855 -161090.3171 -108574.9489 300.6738 212.9575 241.6874 763117.8950 5.7839 5.7355 PRESSURE: 526600 -49.2627 -231.205 143.923 -231.204 -167.347 -51.1828 143.923 -51.1833 -203.143 GPRESSURE: 526600 78.0094 -122.26 217.935 -255.1 -180.423 -40.068 -0.00769862 55.1828 -233.361 PRESSAVG: 526600 33.2284 -21.6593 18.7059 -21.6592 -67.5142 8.32738 18.7059 8.32738 0.303535 GPRESSAVG: 526600 33.5756 -21.4922 17.2766 -20.4977 -67.9878 9.36555 19.5406 7.8764 -0.119165 TIMING: 526600 CPU: 1657.79, 0.00316191/step Wall: 1657.79, 0.00316191/step, 3.92902 hours remaining, 236.687500 MB of memory in use. ENERGY: 526600 3977.1874 20634.1608 14546.9387 242.5191 -203354.0110 2662.7487 0.0000 0.0000 52359.7514 -108930.7048 300.9122 -161290.4562 -108564.6994 300.1056 -139.9175 -111.9252 761903.0085 -11.3274 -11.5105 PRESSURE: 526800 -111.742 145.48 -2.41625 145.48 257.373 135.739 -2.41525 135.739 -335.874 GPRESSURE: 526800 -70.5907 60.7491 -54.7281 311.382 271.202 228.518 -116.418 74.4348 -300.175 PRESSAVG: 526800 -0.649031 -16.4871 22.1007 -16.4871 -6.75334 12.4907 22.1007 12.4908 -5.90215 GPRESSAVG: 526800 -0.87351 -16.6937 21.1331 -16.8115 -7.70976 12.26 21.0031 11.7888 -5.11799 TIMING: 526800 CPU: 1658.43, 0.00318924/step Wall: 1658.43, 0.00318924/step, 3.9628 hours remaining, 236.687500 MB of memory in use. ENERGY: 526800 4013.2048 20621.0875 14562.7976 269.4094 -203690.0379 2951.7072 0.0000 0.0000 52119.2922 -109152.5392 299.5303 -161271.8314 -108785.4561 300.2715 -63.4141 -33.1878 761891.8126 -4.4348 -4.5671 PRESSURE: 527000 142.706 57.8643 -169.327 57.8639 -60.2513 36.4223 -169.328 36.4212 -84.2627 GPRESSURE: 527000 163.494 -29.3389 -111.861 65.6431 -7.67539 65.5249 -39.4913 -27.3456 -101.651 PRESSAVG: 527000 27.9706 -40.0162 -34.3513 -40.0162 -50.9925 59.622 -34.3513 59.6219 14.9853 GPRESSAVG: 527000 27.2626 -40.1904 -31.7516 -41.1158 -50.4131 57.7647 -31.7531 58.3114 15.0417 TIMING: 527000 CPU: 1659.06, 0.00317265/step Wall: 1659.06, 0.00317265/step, 3.94202 hours remaining, 236.687500 MB of memory in use. ENERGY: 527000 3972.8926 20588.6692 14496.3257 253.3109 -203604.4601 2851.2315 0.0000 0.0000 52271.0777 -109170.9525 300.4026 -161442.0302 -108798.6577 300.1471 -0.6027 18.0559 761160.2239 -2.6789 -2.7029 PRESSURE: 527200 -376.934 -45.7575 -99.3878 -45.7587 -343.053 -52.1728 -99.3887 -52.1736 -402.013 GPRESSURE: 527200 -245.99 53.7303 -132.111 -21.4062 -288.985 -87.2424 16.6345 -6.95137 -511.084 PRESSAVG: 527200 -5.7389 -28.9578 34.1652 -28.9578 -23.1626 -3.41822 34.1652 -3.41818 -14.8608 GPRESSAVG: 527200 -5.81045 -28.4473 33.7915 -28.6529 -23.1554 -3.65697 33.1852 -1.15088 -14.9155 TIMING: 527200 CPU: 1659.7, 0.0031569/step Wall: 1659.7, 0.0031569/step, 3.92227 hours remaining, 236.687500 MB of memory in use. ENERGY: 527200 3992.9296 20505.3467 14458.1347 236.9999 -203071.9076 2257.4994 0.0000 0.0000 52174.7679 -109446.2294 299.8491 -161620.9973 -109083.2045 299.3075 -373.9998 -348.6861 761575.2728 -14.5874 -14.6271 PRESSURE: 527400 190.864 -77.9116 68.1754 -77.9116 -45.986 19.9154 68.1756 19.9151 268.233 GPRESSURE: 527400 182.118 -56.7512 140.488 -19.3863 42.4182 21.05 26.9649 -148.55 280.886 PRESSAVG: 527400 3.59852 -6.33679 -40.4293 -6.33675 24.945 69.7504 -40.4292 69.7504 16.5277 GPRESSAVG: 527400 3.30713 -6.64774 -41.4482 -6.23079 25.408 70.6229 -39.9505 69.5319 17.0846 TIMING: 527400 CPU: 1660.32, 0.00314418/step Wall: 1660.32, 0.00314418/step, 3.9063 hours remaining, 236.687500 MB of memory in use. ENERGY: 527400 3961.1423 20571.0162 14508.2933 253.6223 -203378.9822 2682.9712 0.0000 0.0000 51911.0355 -109490.9014 298.3334 -161401.9369 -109130.6266 299.0164 137.7038 168.4740 761565.1803 15.0238 15.2666 PRESSURE: 527600 -34.8897 52.6509 -184.784 52.6501 -324.043 94.4137 -184.784 94.4127 -163.938 GPRESSURE: 527600 -29.2061 34.7949 -181.761 44.6238 -211.066 47.9093 -204.589 146.865 -184.109 PRESSAVG: 527600 34.9404 -8.67892 -45.8456 -8.67886 4.34059 -39.0676 -45.8456 -39.0677 11.9077 GPRESSAVG: 527600 34.8126 -9.71859 -46.5743 -6.53864 4.92649 -39.1197 -46.0921 -40.7632 11.4752 TIMING: 527600 CPU: 1660.96, 0.00316984/step Wall: 1660.96, 0.00316984/step, 3.938 hours remaining, 236.687500 MB of memory in use. ENERGY: 527600 4000.7839 20487.7430 14448.4607 255.8856 -202861.4343 2235.0800 0.0000 0.0000 52110.5892 -109322.8918 299.4803 -161433.4810 -108958.2551 299.0175 -174.2901 -141.4606 761728.5681 17.0629 17.0714 PRESSURE: 527800 98.6088 11.7475 1.00987 11.7467 -93.9248 1.55557 1.00918 1.55635 85.4919 GPRESSURE: 527800 151.97 3.08412 39.9194 -11.7579 -74.0111 -42.794 8.34112 -42.7366 109.587 PRESSAVG: 527800 -3.15539 -28.1641 -52.9899 -28.1641 -16.6893 -40.6501 -52.9899 -40.65 -17.5127 GPRESSAVG: 527800 -1.88882 -26.451 -49.79 -30.7658 -17.4229 -39.7589 -53.7947 -39.7942 -18.1156 TIMING: 527800 CPU: 1661.59, 0.00316358/step Wall: 1661.59, 0.00316358/step, 3.93004 hours remaining, 236.687500 MB of memory in use. ENERGY: 527800 4013.4488 20517.8689 14510.7301 247.2551 -203222.2004 2590.6854 0.0000 0.0000 52190.3715 -109151.8405 299.9388 -161342.2120 -108795.9519 299.3872 30.0586 62.5151 760693.2402 -12.4525 -12.4758 PRESSURE: 528000 43.39 -120.473 -171.559 -120.473 299.829 -283.332 -171.56 -283.332 66.8178 GPRESSURE: 528000 105.806 -34.3317 -179.111 -7.95846 359.506 -279.318 -85.4067 -209.523 17.8748 PRESSAVG: 528000 22.7217 -15.411 -57.6991 -15.411 -19.9721 -59.2569 -57.6991 -59.2569 -0.173273 GPRESSAVG: 528000 21.2031 -16.8623 -59.6142 -15.0168 -19.2193 -59.7365 -57.2982 -56.3388 0.292152 TIMING: 528000 CPU: 1662.22, 0.00316506/step Wall: 1662.22, 0.00316506/step, 3.93171 hours remaining, 236.687500 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: 528000 3903.6651 20710.8346 14487.2047 245.8780 -203475.5511 2786.6720 0.0000 0.0000 52192.2639 -109149.0328 299.9497 -161341.2967 -108782.9989 299.3467 136.6788 161.0623 761547.9623 0.8588 0.7587 PRESSURE: 528200 37.7758 -25.1065 19.612 -25.1079 -51.2795 62.8942 19.6126 62.8962 177.304 GPRESSURE: 528200 80.3568 49.1532 -18.4032 67.4637 -33.0122 -42.036 22.9579 24.7539 196.792 PRESSAVG: 528200 -8.95569 -14.6613 -30.3752 -14.6613 2.34796 -1.94943 -30.3751 -1.94938 -1.56571 GPRESSAVG: 528200 -8.20555 -12.4262 -30.5935 -13.7128 1.5707 -1.03999 -28.336 -6.06621 -1.67731 TIMING: 528200 CPU: 1662.86, 0.00316441/step Wall: 1662.86, 0.00316441/step, 3.93073 hours remaining, 236.687500 MB of memory in use. ENERGY: 528200 3969.5757 20592.6795 14541.3025 230.1184 -203150.5685 2522.8730 0.0000 0.0000 52143.2223 -109150.7971 299.6678 -161294.0194 -108793.6192 299.5698 54.6002 81.3788 761336.2689 -2.7245 -2.7707 LDB: ============= START OF LOAD BALANCING ============== 1675.31 LDB: ============== END OF LOAD BALANCING =============== 1675.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1675.31 LDB: ============= START OF LOAD BALANCING ============== 1675.63 LDB: Largest compute 7076 load 0.035323 is 18.1% of average load 0.195016 LDB: Average compute 0.004401 is 2.3% of average load 0.195016 LDB: TIME 1675.63 LOAD: AVG 0.195016 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.879 MB LDB: TIME 1675.63 LOAD: AVG 0.195016 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 1675.63 LOAD: AVG 0.195016 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 1675.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1675.64 PRESSURE: 528400 72.2815 143.279 49.2523 143.28 264.214 -173.062 49.2529 -173.062 -60.5993 GPRESSURE: 528400 98.3679 98.2015 21.3408 124.509 217.834 -179.014 -27.0795 -82.2172 37.2927 PRESSAVG: 528400 -18.528 0.757145 -25.3449 0.757136 16.4308 -33.4698 -25.3449 -33.4698 6.59076 GPRESSAVG: 528400 -18.3611 -1.14633 -24.0022 0.675767 16.4007 -33.7617 -28.2303 -30.9933 6.57632 TIMING: 528400 CPU: 1663.5, 0.00323228/step Wall: 1663.5, 0.00323228/step, 4.01485 hours remaining, 235.593750 MB of memory in use. ENERGY: 528400 4019.0316 20688.5163 14504.2989 242.6500 -203137.0506 2688.0195 0.0000 0.0000 52041.1630 -108953.3712 299.0813 -160994.5342 -108597.4907 300.0172 91.9654 117.8314 763506.5991 1.4979 1.5386 PRESSURE: 528600 -284.735 -6.13366 -58.02 -6.13389 -85.9112 154.223 -58.0215 154.224 41.5378 GPRESSURE: 528600 -205.635 -44.9043 -43.262 81.5454 -103.656 188.095 -43.9627 73.2728 66.6043 PRESSAVG: 528600 -13.5589 22.4611 -45.2167 22.4611 62.5835 -20.5634 -45.2167 -20.5634 22.8877 GPRESSAVG: 528600 -14.9606 23.2243 -44.6955 23.7199 64.4476 -21.7005 -46.3497 -22.2606 23.35 TIMING: 528600 CPU: 1664.15, 0.00320859/step Wall: 1664.15, 0.00320859/step, 3.98525 hours remaining, 235.593750 MB of memory in use. ENERGY: 528600 3972.5455 20668.8396 14576.5396 242.2113 -203510.5549 2740.6368 0.0000 0.0000 52358.1856 -108951.5965 300.9032 -161309.7821 -108582.4282 300.3740 -109.7028 -80.8958 761739.6505 23.9708 24.2790 PRESSURE: 528800 -53.6112 137.366 -274.223 137.366 81.0715 13.2904 -274.222 13.2924 -411.786 GPRESSURE: 528800 56.5248 169.873 -254.013 23.8702 -0.414524 91.286 -244.91 -27.5824 -366.5 PRESSAVG: 528800 -1.73951 22.4289 -23.5647 22.4289 1.16172 -80.8854 -23.5647 -80.8854 -22.6762 GPRESSAVG: 528800 -1.324 23.0723 -22.8238 19.9991 0.338389 -80.4002 -24.6955 -81.8159 -22.2933 TIMING: 528800 CPU: 1664.78, 0.00318453/step Wall: 1664.78, 0.00318453/step, 3.95518 hours remaining, 235.593750 MB of memory in use. ENERGY: 528800 3981.9816 20499.9080 14599.1468 263.3841 -203090.2715 2439.6942 0.0000 0.0000 52334.7052 -108971.4515 300.7683 -161306.1567 -108598.0646 300.1118 -128.1087 -103.4632 763635.5801 -7.7513 -7.7596 PRESSURE: 529000 -381.304 14.1839 -193.316 14.1842 -194.634 -122.95 -193.316 -122.949 -17.6778 GPRESSURE: 529000 -347.761 43.9206 -142.122 35.4596 -125.047 -165.776 -147.595 -3.25123 -43.0896 PRESSAVG: 529000 -50.0118 -25.5129 -96.3712 -25.5129 60.2156 -9.13853 -96.3712 -9.13849 1.60183 GPRESSAVG: 529000 -50.209 -25.2226 -99.1399 -23.5008 61.0861 -8.81436 -94.4689 -5.37824 1.60611 TIMING: 529000 CPU: 1665.41, 0.00315676/step Wall: 1665.41, 0.00315676/step, 3.92052 hours remaining, 235.593750 MB of memory in use. ENERGY: 529000 3949.5508 20651.3241 14456.3031 235.2176 -203410.3867 2671.8312 0.0000 0.0000 52300.4696 -109145.6903 300.5715 -161446.1599 -108778.7062 300.2531 -197.8720 -171.9659 761215.5650 3.9352 4.1611 PRESSURE: 529200 57.7641 51.9068 -79.0702 51.9057 125.387 -191.19 -79.0703 -191.19 93.852 GPRESSURE: 529200 139.95 157.244 -132.412 14.8868 98.2419 -106.748 -84.3912 -220.85 133.939 PRESSAVG: 529200 -14.5996 -33.0818 2.37418 -33.0817 58.6358 -52.7536 2.37419 -52.7537 2.38135 GPRESSAVG: 529200 -14.0964 -35.5605 3.60916 -34.7107 58.2088 -51.6879 4.43398 -57.3649 2.15146 TIMING: 529200 CPU: 1666.05, 0.00317793/step Wall: 1666.05, 0.00317793/step, 3.94664 hours remaining, 235.593750 MB of memory in use. ENERGY: 529200 3977.5468 20495.3638 14563.3325 247.3075 -203360.2847 2827.8666 0.0000 0.0000 52001.6257 -109247.2419 298.8541 -161248.8675 -108883.4811 299.9747 92.3344 124.0437 762318.4061 15.4725 15.4213 PRESSURE: 529400 -110.166 -42.0695 -56.1419 -42.0692 -758.451 51.1618 -56.1417 51.1623 -78.1526 GPRESSURE: 529400 -71.3199 3.63561 -93.2427 -90.3582 -716.773 -43.0885 70.928 12.725 -87.4648 PRESSAVG: 529400 56.2243 -21.6532 -51.9936 -21.6531 15.8039 -56.3374 -51.9936 -56.3375 23.4774 GPRESSAVG: 529400 56.941 -18.9643 -51.9348 -21.2482 15.3174 -58.2777 -54.1061 -54.2452 23.1425 TIMING: 529400 CPU: 1666.68, 0.00314993/step Wall: 1666.68, 0.00314993/step, 3.91169 hours remaining, 235.593750 MB of memory in use. ENERGY: 529400 3960.9610 20704.7959 14556.5991 251.2870 -203388.8601 2637.0890 0.0000 0.0000 51920.2491 -109357.8790 298.3864 -161278.1282 -108988.8563 299.7776 -315.5899 -291.8526 762466.6636 31.8352 31.8003 PRESSURE: 529600 312.32 85.6039 17.4937 85.6043 275.452 -36.6467 17.4938 -36.6464 332.149 GPRESSURE: 529600 382.212 96.8195 68.2849 92.6858 273.27 -23.5929 61.0265 -2.39202 338.53 PRESSAVG: 529600 9.39125 -37.8675 -18.5586 -37.8675 -43.3643 -15.099 -18.5585 -15.0989 13.0074 GPRESSAVG: 529600 8.39032 -38.8715 -20.0534 -37.2534 -43.2207 -14.3017 -17.7401 -15.7705 13.3347 TIMING: 529600 CPU: 1667.31, 0.00316875/step Wall: 1667.31, 0.00316874/step, 3.93488 hours remaining, 235.593750 MB of memory in use. ENERGY: 529600 3988.8243 20661.5811 14564.1007 238.1832 -203863.2399 2859.5187 0.0000 0.0000 52230.5689 -109320.4630 300.1698 -161551.0319 -108957.9441 298.9775 306.6402 331.3374 760484.0411 -6.9886 -7.1652 PRESSURE: 529800 -451.709 -156.935 58.4254 -156.935 -32.7409 -368.73 58.4255 -368.732 -15.555 GPRESSURE: 529800 -363.567 -190.706 -13.6827 -189.513 -12.7104 -274.431 -2.89143 -260.997 -43.5869 PRESSAVG: 529800 29.4951 13.81 -9.78336 13.8099 4.06299 -9.9843 -9.78339 -9.98431 8.73784 GPRESSAVG: 529800 30.6174 12.173 -9.36929 14.9029 3.64061 -9.98712 -12.6465 -8.49396 8.16624 TIMING: 529800 CPU: 1667.95, 0.00317382/step Wall: 1667.95, 0.00317382/step, 3.941 hours remaining, 235.593750 MB of memory in use. ENERGY: 529800 4000.2954 20499.4242 14526.9981 241.9486 -203281.0555 2446.4135 0.0000 0.0000 52144.3359 -109421.6397 299.6742 -161565.9757 -109066.3830 299.6904 -166.6684 -139.9547 762887.6805 14.0987 14.1414 PRESSURE: 530000 -286.937 -199.037 -43.9693 -199.037 118.625 203.873 -43.9694 203.872 -426.418 GPRESSURE: 530000 -233.583 -92.6412 -98.0043 -96.6193 111.879 244.096 -59.309 -3.3673 -373.643 PRESSAVG: 530000 -21.5657 -20.1981 -10.61 -20.1982 -3.35986 -14.0073 -10.6101 -14.0072 4.45198 GPRESSAVG: 530000 -20.797 -17.0053 -10.1807 -20.7478 -3.4956 -13.2935 -8.32088 -15.1466 4.85938 TIMING: 530000 CPU: 1668.58, 0.00315114/step Wall: 1668.58, 0.00315114/step, 3.91266 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: 530000 4057.9193 20699.2763 14501.6729 254.5602 -203207.4146 2612.0559 0.0000 0.0000 51971.4196 -109110.5105 298.6805 -161081.9301 -108735.1507 299.0142 -198.2435 -165.1156 761991.2535 -6.8245 -6.4777 PRESSURE: 530200 -138.973 42.3111 201.979 42.3108 152.501 -3.22401 201.98 -3.224 -288.429 GPRESSURE: 530200 -112.602 123.401 176.715 40.781 208.139 73.7149 76.6002 34.2551 -267.214 PRESSAVG: 530200 7.20412 -50.7882 -33.4785 -50.7881 13.778 6.49678 -33.4785 6.49681 -1.54114 GPRESSAVG: 530200 4.83168 -52.6407 -33.7391 -51.173 15.0352 6.13114 -33.8583 9.04492 -0.32853 TIMING: 530200 CPU: 1669.2, 0.00313525/step Wall: 1669.2, 0.00313525/step, 3.89276 hours remaining, 235.593750 MB of memory in use. ENERGY: 530200 3993.8172 20487.0734 14524.5349 246.6552 -203467.7859 2688.6029 0.0000 0.0000 52319.8629 -109207.2394 300.6830 -161527.1023 -108845.3986 299.7988 -91.6337 -57.2259 762269.2811 6.4803 6.5128 PRESSURE: 530400 -61.5455 -13.2979 195.513 -13.2993 -261.192 -134.686 195.513 -134.687 151.724 GPRESSURE: 530400 -95.6045 120.454 105.439 19.4049 -178.173 -184.747 58.5174 -116.019 188.368 PRESSAVG: 530400 -87.3767 16.9089 14.5657 16.9089 79.3851 17.8033 14.5657 17.8032 6.99868 GPRESSAVG: 530400 -85.7076 20.2697 15.014 17.3413 79.853 18.1102 12.826 14.0667 4.55418 TIMING: 530400 CPU: 1669.83, 0.00313784/step Wall: 1669.83, 0.00313784/step, 3.8958 hours remaining, 235.593750 MB of memory in use. ENERGY: 530400 3939.2103 20611.5143 14491.6411 248.4816 -202828.8525 2319.0648 0.0000 0.0000 52137.0817 -109081.8586 299.6325 -161218.9403 -108710.7205 299.3667 -57.0045 -28.4700 762927.7187 -0.3310 -0.4335 PRESSURE: 530600 322.491 -149.911 140.777 -149.91 101.745 -134.235 140.777 -134.236 619.556 GPRESSURE: 530600 380.078 -129.824 52.1888 -120.935 43.575 -118.51 138.078 -182.309 711.299 PRESSAVG: 530600 -36.946 31.2837 4.34343 31.2836 40.7654 -47.8813 4.3434 -47.8814 -15.0157 GPRESSAVG: 530600 -37.9526 28.8789 2.53447 31.4319 40.1743 -48.127 7.1269 -47.3745 -13.4765 TIMING: 530600 CPU: 1670.46, 0.00315591/step Wall: 1670.46, 0.00315591/step, 3.91807 hours remaining, 235.593750 MB of memory in use. ENERGY: 530600 3935.3791 20772.2378 14482.4132 256.2977 -202906.8944 2441.9719 0.0000 0.0000 52032.6428 -108985.9519 299.0323 -161018.5947 -108633.1566 299.7154 347.9304 378.3171 760970.5928 -3.7321 -3.7516 PRESSURE: 530800 -19.0727 -2.51624 -189.623 -2.51744 94.1746 370.954 -189.622 370.955 220.493 GPRESSURE: 530800 -25.5485 -18.1319 -189.989 -35.8954 193.959 326.93 -183.096 204.27 213.738 PRESSAVG: 530800 -24.6126 -0.241975 -38.7281 -0.242017 20.2802 30.3216 -38.7281 30.3215 -21.0352 GPRESSAVG: 530800 -24.2901 -3.12759 -36.7489 -1.1403 20.6475 29.1717 -40.2547 30.0505 -21.8044 TIMING: 530800 CPU: 1671.09, 0.00314544/step Wall: 1671.09, 0.00314544/step, 3.90488 hours remaining, 235.593750 MB of memory in use. ENERGY: 530800 3959.9475 20348.1921 14530.7746 252.9794 -203104.1490 2697.5218 0.0000 0.0000 52203.4676 -109111.2659 300.0140 -161314.7335 -108733.8039 299.2675 98.5315 127.3830 762556.8682 -8.4559 -8.4823 PRESSURE: 531000 71.384 23.7831 86.3973 23.7831 249.942 2.25749 86.3973 2.25716 100.812 GPRESSURE: 531000 118.546 45.9096 140.486 35.1973 242.649 -20.0129 160.066 -23.1237 148.16 PRESSAVG: 531000 47.5211 33.5645 -0.789357 33.5645 -54.1187 -6.29472 -0.789348 -6.29475 -11.3602 GPRESSAVG: 531000 48.86 34.1909 -2.2045 35.0312 -56.0152 -6.19363 0.547625 -7.23158 -10.341 TIMING: 531000 CPU: 1671.72, 0.00314461/step Wall: 1671.72, 0.00314461/step, 3.90369 hours remaining, 235.593750 MB of memory in use. ENERGY: 531000 4002.4313 20630.7990 14539.2963 251.8710 -203243.3518 2794.7251 0.0000 0.0000 52302.0806 -108722.1485 300.5808 -161024.2291 -108358.2396 300.1409 140.7129 169.7847 760529.3283 -5.9859 -5.8320 PRESSURE: 531200 206.651 -164.399 -7.52671 -164.4 220.311 27.4205 -7.52564 27.4201 -101.408 GPRESSURE: 531200 194.838 -107.09 -52.8581 -158.827 243.912 77.8435 104.994 -13.8798 -29.3136 PRESSAVG: 531200 1.08365 -18.1078 -18.1719 -18.1079 -5.22207 19.8189 -18.1719 19.8188 -2.80106 GPRESSAVG: 531200 0.258263 -16.467 -18.3688 -19.5775 -3.99291 20.236 -17.7227 20.8738 -3.23644 TIMING: 531200 CPU: 1672.35, 0.00314281/step Wall: 1672.35, 0.00314281/step, 3.90127 hours remaining, 235.593750 MB of memory in use. ENERGY: 531200 4021.5910 20658.5958 14481.2708 251.5219 -202872.5855 2543.2442 0.0000 0.0000 52425.2516 -108491.1101 301.2886 -160916.3618 -108133.0245 301.1365 108.5181 136.4791 761300.8540 -2.3132 -2.3237 PRESSURE: 531400 -118.855 87.0712 -77.2494 87.0724 -28.5177 155.152 -77.2488 155.151 -350.678 GPRESSURE: 531400 -148.469 45.5197 -126.905 135.466 26.7711 76.9037 -52.4533 149.206 -291.933 PRESSAVG: 531400 -9.59632 51.9227 -39.6989 51.9227 4.63593 5.319 -39.6988 5.3189 9.3824 GPRESSAVG: 531400 -9.95438 53.2527 -38.4529 50.8383 4.76405 6.13469 -41.2608 4.17576 9.89721 TIMING: 531400 CPU: 1672.98, 0.0031479/step Wall: 1672.98, 0.0031479/step, 3.90741 hours remaining, 235.593750 MB of memory in use. ENERGY: 531400 3972.2554 20533.9016 14489.4153 257.2822 -203028.6066 2763.0997 0.0000 0.0000 52366.4168 -108646.2354 300.9505 -161012.6522 -108282.7754 300.8741 -166.0171 -137.8772 762738.2039 1.4740 1.5690 PRESSURE: 531600 26.435 -178.965 23.4811 -178.965 -17.0267 -324.54 23.4814 -324.539 74.7758 GPRESSURE: 531600 30.9221 -212.008 139.786 -43.017 -2.31656 -284.687 -50.3512 -278.289 131.127 PRESSAVG: 531600 59.0888 -16.8156 0.521879 -16.8156 -67.0028 17.8933 0.52189 17.8932 21.9381 GPRESSAVG: 531600 59.5796 -17.1517 1.40557 -16.7144 -67.6482 18.4248 0.749757 18.6196 21.8309 TIMING: 531600 CPU: 1673.61, 0.00316392/step Wall: 1673.61, 0.00316392/step, 3.92713 hours remaining, 235.593750 MB of memory in use. ENERGY: 531600 3958.9060 20565.4396 14550.1738 256.6051 -203467.8751 2940.7359 0.0000 0.0000 52381.9987 -108814.0161 301.0401 -161196.0147 -108444.1955 300.6257 28.0614 53.2442 761271.4242 4.6747 4.5875 PRESSURE: 531800 -146.73 46.3332 -8.01614 46.3329 -143.117 119.659 -8.01673 119.659 120.627 GPRESSURE: 531800 -80.0306 17.1075 33.4134 142.423 -74.5802 33.4135 9.6265 204.095 64.8627 PRESSAVG: 531800 -37.7152 -22.1634 38.6381 -22.1634 40.7961 -5.33227 38.6382 -5.33227 0.358815 GPRESSAVG: 531800 -38.3072 -23.7057 37.9594 -20.9993 41.3534 -4.25065 41.5585 -3.34474 0.283637 TIMING: 531800 CPU: 1674.24, 0.00315394/step Wall: 1674.24, 0.00315394/step, 3.91457 hours remaining, 235.593750 MB of memory in use. ENERGY: 531800 4039.3273 20601.6324 14437.7121 253.2529 -203078.1688 2332.7816 0.0000 0.0000 52492.2707 -108921.1918 301.6738 -161413.4625 -108551.0648 300.3493 -56.4067 -29.9160 762222.3539 1.1466 1.1100 PRESSURE: 532000 97.1099 -20.0289 81.0209 -20.0297 285.379 -17.1685 81.0215 -17.1694 210.886 GPRESSURE: 532000 62.7073 -77.8998 58.5974 -5.02179 350.563 17.183 19.0924 -166.344 254.154 PRESSAVG: 532000 -4.78218 -46.1374 26.8852 -46.1373 -19.7061 -38.4472 26.8853 -38.4472 8.30904 GPRESSAVG: 532000 -3.77937 -46.616 26.2062 -45.5986 -20.7742 -40.6761 24.1712 -39.9611 7.98823 TIMING: 532000 CPU: 1674.88, 0.00316067/step Wall: 1674.88, 0.00316067/step, 3.92275 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: 532000 3913.5726 20828.4908 14526.5762 250.5238 -203472.4221 2820.5160 0.0000 0.0000 52172.8547 -108959.8879 299.8381 -161132.7427 -108590.8063 300.1178 197.7916 222.4750 762185.6597 -5.3931 -5.5218 PRESSURE: 532200 30.8771 244.93 -5.4542 244.93 -50.027 64.5343 -5.45334 64.5345 -100.959 GPRESSURE: 532200 64.7642 131.432 -100.766 163.852 -13.5295 69.9963 11.6746 66.627 -63.8409 PRESSAVG: 532200 6.77546 -41.3924 46.2062 -41.3924 -18.8753 -17.9274 46.2063 -17.9274 24.5418 GPRESSAVG: 532200 6.49251 -41.4529 47.7729 -42.1219 -18.1472 -18.3991 46.9466 -18.4355 24.4087 TIMING: 532200 CPU: 1675.51, 0.00315318/step Wall: 1675.51, 0.00315318/step, 3.91327 hours remaining, 235.593750 MB of memory in use. ENERGY: 532200 3914.3491 20588.1035 14538.7393 254.6154 -203119.5965 2443.3188 0.0000 0.0000 52170.3597 -109210.1106 299.8238 -161380.4703 -108836.2330 299.6918 -40.0364 -4.2021 762218.6242 4.1473 4.2513 LDB: ============= START OF LOAD BALANCING ============== 1687.96 LDB: ============== END OF LOAD BALANCING =============== 1687.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1687.96 LDB: ============= START OF LOAD BALANCING ============== 1688.28 LDB: Largest compute 7075 load 0.035418 is 18.2% of average load 0.194949 LDB: Average compute 0.004412 is 2.3% of average load 0.194949 LDB: TIME 1688.28 LOAD: AVG 0.194949 MAX 0.215762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.57 MB LDB: TIME 1688.28 LOAD: AVG 0.194949 MAX 0.215762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: TIME 1688.28 LOAD: AVG 0.194949 MAX 0.215762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: ============== END OF LOAD BALANCING =============== 1688.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1688.29 PRESSURE: 532400 47.7335 -9.27288 -22.9518 -9.27405 266.431 41.9445 -22.9518 41.9449 32.4201 GPRESSURE: 532400 84.8848 -30.9951 28.532 -106.28 227.069 -7.09972 -46.6553 4.37199 89.5396 PRESSAVG: 532400 9.44689 -34.3692 19.3301 -34.3692 25.7312 -25.3772 19.3301 -25.3771 10.4932 GPRESSAVG: 532400 9.79165 -33.7676 17.6197 -36.1333 25.7626 -25.0182 19.8825 -23.3483 9.92408 TIMING: 532400 CPU: 1676.15, 0.00322515/step Wall: 1676.15, 0.00322515/step, 4.00241 hours remaining, 237.652344 MB of memory in use. ENERGY: 532400 3987.0086 20476.0811 14436.4994 253.1698 -203039.3166 2654.6415 0.0000 0.0000 52169.8791 -109062.0372 299.8210 -161231.9163 -108707.2608 299.4135 115.5282 133.8310 761352.5743 15.2237 15.1594 PRESSURE: 532600 103.684 -335.614 -166.461 -335.614 -13.0951 -105.13 -166.461 -105.13 65.1664 GPRESSURE: 532600 152.226 -321.568 -160.37 -252.937 15.2941 -51.581 -213.186 -133.481 75.3004 PRESSAVG: 532600 -10.3919 -30.6331 2.48185 -30.6331 -10.9169 15.6245 2.48181 15.6244 3.7141 GPRESSAVG: 532600 -10.8691 -30.2456 1.69638 -29.2731 -10.6759 15.1992 2.50992 14.7023 3.65689 TIMING: 532600 CPU: 1676.78, 0.00314353/step Wall: 1676.78, 0.00314353/step, 3.90095 hours remaining, 237.855469 MB of memory in use. ENERGY: 532600 3992.6973 20675.4885 14494.7361 233.3611 -203343.8684 2669.1536 0.0000 0.0000 52077.9407 -109200.4911 299.2926 -161278.4318 -108834.7867 299.4622 51.9183 80.9402 762357.9620 -5.8649 -5.9627 PRESSURE: 532800 -346.831 -62.1921 118.738 -62.1927 -147.831 -89.2062 118.739 -89.2063 -90.8984 GPRESSURE: 532800 -419.273 -142.445 150.727 -132.862 8.97892 13.7969 35.2414 -107.475 -115.328 PRESSAVG: 532800 22.7952 -66.2139 67.2251 -66.2139 -35.3324 24.7092 67.2251 24.7092 10.8431 GPRESSAVG: 532800 22.6598 -68.6672 69.0439 -64.3811 -36.5518 25.7434 67.2917 24.0073 12.2726 TIMING: 532800 CPU: 1677.41, 0.00317285/step Wall: 1677.41, 0.00317285/step, 3.93716 hours remaining, 237.855469 MB of memory in use. ENERGY: 532800 4004.9396 20738.8963 14504.8479 229.1559 -203253.1373 2469.5831 0.0000 0.0000 51989.2099 -109316.5046 298.7827 -161305.7145 -108961.3219 299.0202 -195.1867 -175.2076 762063.5898 -0.5647 -0.5398 PRESSURE: 533000 -73.9853 55.9414 -257.335 55.9416 -5.37339 -151.725 -257.336 -151.725 -388.007 GPRESSURE: 533000 -30.2142 5.69665 -182.945 62.0723 -6.26942 -135.801 -82.4168 -190.932 -369.64 PRESSAVG: 533000 76.3708 -84.4299 19.0324 -84.4298 -12.3693 -15.9289 19.0324 -15.9289 3.13154 GPRESSAVG: 533000 75.1794 -80.4214 19.6682 -85.6352 -11.4937 -16.0287 17.5922 -15.7065 2.83583 TIMING: 533000 CPU: 1678.04, 0.00314882/step Wall: 1678.04, 0.00314882/step, 3.90716 hours remaining, 237.855469 MB of memory in use. ENERGY: 533000 3978.7568 20603.4097 14466.5992 236.5587 -203077.0908 2528.9153 0.0000 0.0000 51892.5524 -109370.2987 298.2272 -161262.8511 -109011.7117 299.2248 -155.7885 -135.3747 760839.2024 22.3777 22.1738 PRESSURE: 533200 -176.703 -169.482 13.9698 -169.482 90.1602 -134.535 13.9695 -134.535 87.6267 GPRESSURE: 533200 -209.059 -119.515 -4.47293 -231.82 168.785 -113.959 117.798 -60.5109 115.324 PRESSAVG: 533200 -5.648 -35.0553 7.1827 -35.0553 10.7328 -11.0115 7.18261 -11.0116 -18.1069 GPRESSAVG: 533200 -5.56582 -37.5627 5.52395 -35.1512 11.3892 -10.7534 9.91541 -9.20838 -18.7022 TIMING: 533200 CPU: 1678.68, 0.00317321/step Wall: 1678.68, 0.00317321/step, 3.93725 hours remaining, 237.855469 MB of memory in use. ENERGY: 533200 4130.1785 20544.3452 14455.7800 240.2919 -203182.3528 2457.4859 0.0000 0.0000 52167.7482 -109186.5230 299.8088 -161354.2712 -108816.2516 299.6803 0.3612 25.0167 761732.0728 -4.3407 -4.2929 PRESSURE: 533400 -193.824 75.7021 -134.321 75.7016 -360.184 87.5142 -134.321 87.514 -247.524 GPRESSURE: 533400 -138.94 -35.2456 -78.5841 146.823 -269.248 67.151 -104.526 10.7751 -300.331 PRESSAVG: 533400 3.81846 -42.6717 32.4869 -42.6717 -30.7225 -5.99103 32.4868 -5.99101 -11.0567 GPRESSAVG: 533400 4.4793 -40.2978 33.0059 -42.5982 -31.0584 -5.92757 30.9705 -6.79409 -11.47 TIMING: 533400 CPU: 1679.31, 0.00315366/step Wall: 1679.31, 0.00315366/step, 3.91282 hours remaining, 237.855469 MB of memory in use. ENERGY: 533400 3936.8815 20297.1224 14527.1714 220.4042 -202842.4299 2429.4212 0.0000 0.0000 52125.0017 -109306.4276 299.5631 -161431.4293 -108933.6887 298.8603 -267.1772 -236.1732 761673.2234 -12.6536 -12.6830 PRESSURE: 533600 -222.98 -191.303 -90.7387 -191.303 132.848 212.282 -90.738 212.283 -156.522 GPRESSURE: 533600 -208.245 -65.8941 -82.6798 -195.528 124.32 203.622 44.788 85.3442 -78.8721 PRESSAVG: 533600 13.7676 7.1569 4.4909 7.15681 -37.398 -20.156 4.49089 -20.1559 -7.60449 GPRESSAVG: 533600 14.0278 6.78988 4.67999 4.03034 -37.2647 -20.9206 4.07153 -22.7925 -8.15521 TIMING: 533600 CPU: 1679.94, 0.00315367/step Wall: 1679.94, 0.00315367/step, 3.91265 hours remaining, 237.855469 MB of memory in use. ENERGY: 533600 3938.7123 20420.1639 14449.2916 241.9204 -203130.2714 2746.5177 0.0000 0.0000 52286.5386 -109047.1269 300.4915 -161333.6655 -108679.6373 299.4341 -82.2183 -54.2658 763211.4143 -10.4116 -10.4640 PRESSURE: 533800 379.198 -51.6948 -232.242 -51.6944 103.394 -184.293 -232.243 -184.295 -88.8617 GPRESSURE: 533800 457.277 11.5693 -225.918 -29.8431 76.163 -223.3 -90.0611 -168.799 -62.4915 PRESSAVG: 533800 31.8446 -43.5471 -10.4961 -43.547 -45.34 -15.1577 -10.4961 -15.1577 4.46905 GPRESSAVG: 533800 32.0386 -44.0742 -9.78331 -38.8107 -46.7227 -13.9857 -11.1113 -13.9741 5.31668 TIMING: 533800 CPU: 1680.58, 0.00319481/step Wall: 1680.58, 0.00319481/step, 3.96352 hours remaining, 237.855469 MB of memory in use. ENERGY: 533800 3936.8638 20576.0247 14478.6087 247.0333 -203184.2851 2760.2128 0.0000 0.0000 52151.2437 -109034.2981 299.7139 -161185.5419 -108680.7417 299.7486 131.2434 156.9829 761316.5885 -3.0088 -3.1225 PRESSURE: 534000 -16.26 -52.6644 -108.673 -52.6641 -139.257 -38.2437 -108.672 -38.2418 -19.641 GPRESSURE: 534000 -22.6813 -29.6309 -81.139 -105.632 -71.2785 30.523 -40.2273 -36.0379 9.31368 PRESSAVG: 534000 41.7652 -50.1074 -25.8051 -50.1074 -10.4066 -40.8405 -25.8051 -40.8404 -1.69701 GPRESSAVG: 534000 40.1542 -50.4169 -27.806 -52.3406 -8.89809 -40.5977 -22.8992 -41.925 -1.80057 TIMING: 534000 CPU: 1681.22, 0.00318985/step Wall: 1681.22, 0.00318984/step, 3.95718 hours remaining, 237.855469 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: 534000 3970.4519 20536.2272 14426.2741 242.1101 -203599.1939 2966.5028 0.0000 0.0000 52369.1619 -109088.4658 300.9663 -161457.6278 -108708.8711 299.9620 -58.3860 -28.2154 762541.7979 9.8872 9.8185 PRESSURE: 534200 59.605 -6.47842 -35.8482 -6.47847 213.447 -7.04455 -35.8483 -7.04409 -32.9832 GPRESSURE: 534200 34.9364 -14.2215 -83.6168 43.4901 248.077 63.9432 43.8973 -37.683 29.0367 PRESSAVG: 534200 33.1791 -48.6287 9.92104 -48.6287 10.591 0.917673 9.92101 0.917794 27.8025 GPRESSAVG: 534200 34.6086 -48.1999 10.4938 -47.866 9.37687 -0.742677 9.54842 2.85124 27.6285 TIMING: 534200 CPU: 1681.85, 0.00318547/step Wall: 1681.85, 0.00318547/step, 3.95157 hours remaining, 237.855469 MB of memory in use. ENERGY: 534200 3963.4423 20338.3219 14500.8234 245.7012 -203484.6764 2813.8742 0.0000 0.0000 52223.3547 -109399.1588 300.1283 -161622.5135 -109037.2474 299.5245 80.0228 104.0167 763168.0360 23.8575 23.8713 PRESSURE: 534400 176.349 -56.2052 72.5113 -56.205 -358.961 164.298 72.5119 164.297 -272.629 GPRESSURE: 534400 69.5098 55.1707 88.1067 63.5119 -316.743 84.4003 94.3634 234.626 -150.639 PRESSAVG: 534400 55.4275 -27.3177 -7.26451 -27.3177 -24.5284 -46.5655 -7.2645 -46.5656 0.48383 GPRESSAVG: 534400 55.1802 -27.8046 -6.51615 -26.0275 -24.2524 -44.8991 -8.55854 -48.4875 0.781895 TIMING: 534400 CPU: 1682.49, 0.00317082/step Wall: 1682.49, 0.00317082/step, 3.93323 hours remaining, 237.855469 MB of memory in use. ENERGY: 534400 3975.7163 20578.8742 14600.7296 230.9746 -203237.4705 2568.3597 0.0000 0.0000 51994.7053 -109288.1106 298.8143 -161282.8160 -108929.7863 299.1011 -151.7468 -132.6242 762792.5318 10.4610 10.5699 PRESSURE: 534600 148.539 -17.7888 -41.9383 -17.7884 63.5096 -363.062 -41.9384 -363.061 -45.5402 GPRESSURE: 534600 183.153 -26.3528 45.431 -3.01164 98.7314 -212.907 -123.419 -327.971 -37.9516 PRESSAVG: 534600 73.8847 -76.0391 -24.1451 -76.039 -53.0203 -59.0126 -24.1451 -59.0126 3.83891 GPRESSAVG: 534600 74.2116 -73.7049 -23.8825 -76.1411 -52.8482 -60.0278 -24.7208 -56.672 3.39571 TIMING: 534600 CPU: 1683.12, 0.00316456/step Wall: 1683.12, 0.00316456/step, 3.92529 hours remaining, 237.855469 MB of memory in use. ENERGY: 534600 4001.5581 20551.9943 14438.8387 262.8013 -203293.8702 2734.9930 0.0000 0.0000 51898.3596 -109405.3251 298.2606 -161303.6847 -109048.1363 298.7505 55.5030 81.3108 761018.1769 8.2344 8.2530 PRESSURE: 534800 115.805 -110.899 -152.4 -110.899 0.164033 -230.261 -152.4 -230.261 320.605 GPRESSURE: 534800 76.4495 -205.883 -121.684 13.9087 66.0019 -217.214 -70.8203 -256.744 356.925 PRESSAVG: 534800 30.9696 -6.32687 19.4172 -6.32693 -56.61 -36.0349 19.4171 -36.0349 3.55682 GPRESSAVG: 534800 30.9811 -9.22854 19.6108 -7.68702 -55.8754 -37.6149 17.7384 -34.419 2.37335 TIMING: 534800 CPU: 1683.76, 0.00317001/step Wall: 1683.76, 0.00317001/step, 3.93187 hours remaining, 237.855469 MB of memory in use. ENERGY: 534800 4004.5168 20562.0209 14508.8837 232.0336 -203262.7489 2916.5778 0.0000 0.0000 51989.3769 -109049.3392 298.7837 -161038.7161 -108683.0415 299.5880 145.5248 166.4588 762240.6932 -7.3612 -7.5070 PRESSURE: 535000 -219.62 14.2147 -267.357 14.2153 -287.607 70.1347 -267.357 70.134 -192.404 GPRESSURE: 535000 -159.656 74.0706 -202.864 -60.4331 -229.659 137.598 -331.353 115.141 -205.585 PRESSAVG: 535000 26.5497 8.07556 -2.31887 8.07552 -63.4299 -46.9792 -2.3188 -46.9793 20.8588 GPRESSAVG: 535000 26.7046 10.2268 -3.58474 8.49885 -63.8842 -43.707 0.297929 -50.8008 21.8594 TIMING: 535000 CPU: 1684.39, 0.00316935/step Wall: 1684.39, 0.00316935/step, 3.93088 hours remaining, 237.855469 MB of memory in use. ENERGY: 535000 4080.2213 20656.2039 14454.5177 244.1215 -202691.7746 2437.9228 0.0000 0.0000 51922.5894 -108896.1980 298.3998 -160818.7873 -108534.8927 299.4895 -233.2101 -198.3001 763171.3793 -5.3405 -5.1067 PRESSURE: 535200 99.9024 137.655 159.879 137.655 -154.431 -124.444 159.879 -124.445 -3.00157 GPRESSURE: 535200 127.501 79.2846 114.724 123.882 -116.735 -150.673 122.578 -68.3085 17.8266 PRESSAVG: 535200 -41.3238 -46.7167 12.8029 -46.7167 -23.9239 -1.34194 12.8029 -1.34189 34.2871 GPRESSAVG: 535200 -40.6247 -45.794 12.4474 -48.101 -23.2673 -3.93128 10.0044 1.14519 33.1539 TIMING: 535200 CPU: 1685.02, 0.00314302/step Wall: 1685.02, 0.00314302/step, 3.89805 hours remaining, 237.855469 MB of memory in use. ENERGY: 535200 3991.9059 20484.3011 14505.8804 227.3384 -203415.9872 2721.2699 0.0000 0.0000 52158.4130 -109326.8786 299.7551 -161485.2916 -108964.3776 299.5939 -19.1766 9.5310 761900.0279 -10.3202 -10.2460 PRESSURE: 535400 174.076 -11.804 -9.44965 -11.8041 -2.38479 283.614 -9.44898 283.613 477.195 GPRESSURE: 535400 165.31 -4.65565 -5.29211 -17.0362 109.657 299.262 -47.3483 264.294 457.868 PRESSAVG: 535400 75.2531 2.59125 -9.48184 2.59127 -52.6346 15.4422 -9.48182 15.4422 4.67706 GPRESSAVG: 535400 76.0276 3.05145 -9.95258 2.50355 -55.0455 16.1597 -9.12566 12.0775 6.27533 TIMING: 535400 CPU: 1685.65, 0.00315226/step Wall: 1685.65, 0.00315226/step, 3.90932 hours remaining, 237.855469 MB of memory in use. ENERGY: 535400 3992.2010 20475.7617 14480.0442 246.8081 -203504.7285 2875.1524 0.0000 0.0000 52116.3531 -109318.4079 299.5134 -161434.7610 -108946.5349 299.5452 216.2954 244.2782 761222.5226 9.0985 9.0858 PRESSURE: 535600 -194.064 -100.405 -136.079 -100.405 -123.913 -29.6397 -136.08 -29.6387 -128.834 GPRESSURE: 535600 -176.643 -39.7596 -55.8958 -144.996 -27.5121 -89.5599 -168.278 -39.2419 -156.813 PRESSAVG: 535600 -31.1823 13.8203 22.2714 13.8202 32.9521 0.984055 22.2714 0.984007 -9.89749 GPRESSAVG: 535600 -32.6672 10.1717 24.0044 16.9673 33.6816 2.55263 21.0117 1.16526 -9.68786 TIMING: 535600 CPU: 1686.27, 0.00312362/step Wall: 1686.27, 0.00312362/step, 3.87364 hours remaining, 237.855469 MB of memory in use. ENERGY: 535600 3886.6057 20564.1496 14465.2985 243.7109 -203134.6322 2536.2239 0.0000 0.0000 51981.4374 -109457.2063 298.7380 -161438.6437 -109091.7699 298.7760 -148.9367 -120.3227 761628.6147 -2.7092 -2.8912 PRESSURE: 535800 -191.127 58.3223 79.1417 58.3223 64.333 47.9996 79.1424 47.9999 -114.716 GPRESSURE: 535800 -151.193 153.03 47.4459 71.3449 56.8985 42.9786 98.8061 79.6629 -42.8134 PRESSAVG: 535800 -13.9158 16.9064 -24.8099 16.9064 5.23006 33.061 -24.8099 33.0609 25.7589 GPRESSAVG: 535800 -13.3627 18.3186 -25.7147 16.4033 5.7289 31.249 -22.4185 34.4418 24.6797 TIMING: 535800 CPU: 1686.9, 0.00314087/step Wall: 1686.9, 0.00314087/step, 3.89486 hours remaining, 237.855469 MB of memory in use. ENERGY: 535800 3980.1665 20479.1682 14495.0285 223.7507 -203102.0903 2528.1625 0.0000 0.0000 52151.5733 -109244.2407 299.7158 -161395.8140 -108886.1227 299.1955 -80.5035 -45.7025 760790.9999 5.6910 5.6819 PRESSURE: 536000 -90.6754 -178.454 -326.95 -178.454 -234.31 -242.648 -326.951 -242.648 -274.901 GPRESSURE: 536000 -106.579 -153.29 -228.228 -278.205 -119.658 -165.132 -378.605 -268.766 -286.92 PRESSAVG: 536000 13.5311 -33.78 -2.42861 -33.7799 8.26065 -17.9674 -2.42859 -17.9674 -7.48805 GPRESSAVG: 536000 13.5843 -32.9384 -2.01606 -34.9643 8.67398 -16.7715 -4.67738 -16.1632 -7.47047 TIMING: 536000 CPU: 1687.53, 0.00314687/step Wall: 1687.53, 0.00314687/step, 3.90212 hours remaining, 237.855469 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: 536000 3990.2522 20614.9709 14509.4277 234.3038 -203378.3956 2746.7487 0.0000 0.0000 51890.9828 -109391.7095 298.2182 -161282.6923 -109025.2218 298.7587 -199.9621 -171.0522 761365.8299 4.7679 4.9293 PRESSURE: 536200 -93.8335 -42.1959 95.4398 -42.1967 114.763 -54.9955 95.4403 -54.9955 -236.749 GPRESSURE: 536200 -85.0876 -29.7828 53.5989 -131.163 159.779 -123.078 191.648 36.7189 -216.086 PRESSAVG: 536200 7.53056 -38.9981 -1.04655 -38.9982 -36.4384 -14.068 -1.0466 -14.0681 18.6962 GPRESSAVG: 536200 6.83915 -39.4135 -1.43473 -38.4643 -35.8083 -16.1995 -1.16906 -14.9196 19.3172 TIMING: 536200 CPU: 1688.16, 0.00316627/step Wall: 1688.16, 0.00316627/step, 3.926 hours remaining, 237.855469 MB of memory in use. ENERGY: 536200 3990.8793 20616.2097 14471.1905 235.9085 -203208.2697 2590.3296 0.0000 0.0000 52213.7429 -109090.0092 300.0731 -161303.7521 -108727.1000 299.3739 -71.9397 -47.1315 760298.4818 -3.4039 -3.2173 LDB: ============= START OF LOAD BALANCING ============== 1700.61 LDB: ============== END OF LOAD BALANCING =============== 1700.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1700.62 LDB: ============= START OF LOAD BALANCING ============== 1700.93 LDB: Largest compute 7026 load 0.034260 is 17.6% of average load 0.194880 LDB: Average compute 0.004390 is 2.3% of average load 0.194880 LDB: TIME 1700.94 LOAD: AVG 0.19488 MAX 0.218072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.059 MB LDB: TIME 1700.94 LOAD: AVG 0.19488 MAX 0.218072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.062 MB LDB: TIME 1700.94 LOAD: AVG 0.19488 MAX 0.215831 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.062 MB LDB: ============== END OF LOAD BALANCING =============== 1700.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1700.94 PRESSURE: 536400 220.295 -161.103 -266.038 -161.102 37.6406 285.41 -266.038 285.409 -286.258 GPRESSURE: 536400 235.328 -170.907 -310.624 -225.567 86.3736 228.108 -130.307 216.151 -274.603 PRESSAVG: 536400 47.9204 2.90235 6.42398 2.90232 7.12251 -19.1137 6.42398 -19.1137 0.511963 GPRESSAVG: 536400 48.6928 1.6977 6.9344 3.87876 6.66602 -19.4995 7.21853 -21.4711 -0.0460398 TIMING: 536400 CPU: 1688.81, 0.00321466/step Wall: 1688.81, 0.00321466/step, 3.98582 hours remaining, 235.542969 MB of memory in use. ENERGY: 536400 3982.0648 20631.7198 14534.7620 241.4842 -202891.9089 2441.3628 0.0000 0.0000 52016.1766 -109044.3386 298.9377 -161060.5152 -108680.0865 299.5966 -9.4405 15.6997 761818.1356 18.5183 18.4376 PRESSURE: 536600 -65.5547 -146.646 116.841 -146.646 -91.4777 89.8723 116.841 89.8715 -46.5764 GPRESSURE: 536600 -25.2981 51.5892 63.7924 -103.684 -113.53 4.80999 296.552 197.072 30.5682 PRESSAVG: 536600 -0.195317 65.6666 -12.4809 65.6666 10.2001 -13.5663 -12.4808 -13.5664 7.47639 GPRESSAVG: 536600 0.390356 65.2716 -12.5274 65.6555 9.24522 -12.3303 -12.7269 -11.1141 8.21625 TIMING: 536600 CPU: 1689.44, 0.00314787/step Wall: 1689.44, 0.00314787/step, 3.90283 hours remaining, 235.597656 MB of memory in use. ENERGY: 536600 4008.4551 20483.5574 14538.4434 241.6257 -203195.2563 2634.4911 0.0000 0.0000 51992.3640 -109296.3196 298.8008 -161288.6836 -108942.8577 299.6227 -67.8696 -36.0868 762622.8060 5.8271 5.9506 PRESSURE: 536800 16.6004 68.2081 -109.009 68.2081 -121.141 242.695 -109.01 242.695 127.367 GPRESSURE: 536800 81.1137 19.6698 -114.614 27.3165 -36.8611 319.575 -177.246 165.359 63.2497 PRESSAVG: 536800 22.3551 27.9144 18.2453 27.9144 31.2595 42.0166 18.2453 42.0166 -28.364 GPRESSAVG: 536800 22.1044 29.0675 18.7293 26.5297 32.9625 42.4565 18.3881 40.9452 -29.0248 TIMING: 536800 CPU: 1690.07, 0.00318122/step Wall: 1690.07, 0.00318122/step, 3.944 hours remaining, 235.597656 MB of memory in use. ENERGY: 536800 4002.7197 20525.9341 14488.0306 259.3806 -203067.0468 2467.6895 0.0000 0.0000 52269.2915 -109054.0008 300.3923 -161323.2922 -108696.4382 299.3825 7.6086 35.8341 761172.9255 8.4169 8.6807 PRESSURE: 537000 -471.847 -252.026 38.0823 -252.027 -89.7759 114.642 38.0827 114.643 -168.689 GPRESSURE: 537000 -406.73 -130.221 29.3174 -347.938 -110.622 26.2955 72.5273 175.676 -125.947 PRESSAVG: 537000 27.5363 8.42973 26.2022 8.42977 -58.3656 18.628 26.2022 18.6281 -9.91334 GPRESSAVG: 537000 27.9756 6.73562 25.4266 8.62096 -58.787 17.7942 27.4646 18.0532 -10.0274 TIMING: 537000 CPU: 1690.71, 0.0031685/step Wall: 1690.71, 0.0031685/step, 3.92807 hours remaining, 235.597656 MB of memory in use. ENERGY: 537000 4076.6859 20582.2446 14486.5453 241.6647 -203072.5020 2519.4156 0.0000 0.0000 52112.4130 -109053.5330 299.4908 -161165.9459 -108685.6832 299.8822 -243.4372 -214.4329 761354.1373 -13.5809 -13.6129 PRESSURE: 537200 148.617 129.507 -23.5922 129.508 16.9617 -76.8493 -23.5922 -76.8505 30.428 GPRESSURE: 537200 161.933 32.0897 -107.296 204.372 70.5851 -54.9325 96.531 -3.81306 55.5233 PRESSAVG: 537200 32.1552 21.1168 20.2776 21.1168 -29.1854 14.6481 20.2775 14.6481 -2.43261 GPRESSAVG: 537200 32.3474 22.4871 19.728 21.2925 -30.017 15.3654 21.2804 13.2811 -2.64082 TIMING: 537200 CPU: 1691.34, 0.00315617/step Wall: 1691.34, 0.00315617/step, 3.9126 hours remaining, 235.820312 MB of memory in use. ENERGY: 537200 3986.1042 20672.2876 14438.5654 229.3179 -203170.9179 2675.4226 0.0000 0.0000 52068.2308 -109100.9894 299.2368 -161169.2203 -108740.8087 299.3979 65.3354 96.0137 762637.3590 0.1790 -0.1035 PRESSURE: 537400 -218.131 2.22588 -93.2969 2.22575 -417.044 -44.8549 -93.2975 -44.856 235 GPRESSURE: 537400 -179.575 34.8934 -137.029 128.263 -382.55 1.13057 -22.8925 -37.5337 238.284 PRESSAVG: 537400 -3.4724 8.8404 2.52929 8.84034 27.2473 -10.3379 2.52925 -10.3379 -7.33976 GPRESSAVG: 537400 -3.71982 7.55507 5.37629 9.3623 27.4768 -9.84987 -1.31625 -9.08393 -7.19462 TIMING: 537400 CPU: 1691.97, 0.00318209/step Wall: 1691.97, 0.00318209/step, 3.94455 hours remaining, 235.835938 MB of memory in use. ENERGY: 537400 4055.8960 20668.6744 14538.6353 256.6200 -203175.1604 2583.6723 0.0000 0.0000 52153.9609 -108917.7015 299.7295 -161071.6623 -108563.2101 300.1731 -133.3916 -107.9471 762480.2446 5.4784 5.5208 PRESSURE: 537600 -27.291 -5.63823 78.0931 -5.63857 -83.9708 -89.899 78.092 -89.8986 2.80004 GPRESSURE: 537600 -40.979 -36.2681 -4.15561 29.1847 -46.3497 -111.273 74.0428 31.2008 79.44 PRESSAVG: 537600 22.6661 44.955 29.8785 44.955 -33.0112 9.66421 29.8785 9.66416 -10.5249 GPRESSAVG: 537600 21.3552 44.5262 28.8642 46.6831 -32.348 8.02692 30.9198 10.1915 -10.0669 TIMING: 537600 CPU: 1692.6, 0.00315312/step Wall: 1692.6, 0.00315312/step, 3.90847 hours remaining, 235.835938 MB of memory in use. ENERGY: 537600 4000.5267 20631.9399 14495.0456 249.0386 -203472.6496 2607.1474 0.0000 0.0000 52086.8073 -109402.1442 299.3436 -161488.9515 -109038.6067 299.7071 -36.1539 -2.6296 761662.4403 -6.9567 -7.0199 PRESSURE: 537800 -125.252 9.98302 -248.524 9.98316 148.684 61.5061 -248.524 61.5064 190.823 GPRESSURE: 537800 -102.665 142.104 -322.329 97.2221 168.944 177.195 -266.205 186.687 235.98 PRESSAVG: 537800 14.0141 -57.3902 -20.5466 -57.3901 -68.0125 24.387 -20.5466 24.3871 10.7156 GPRESSAVG: 537800 14.4088 -55.1921 -21.184 -58.0483 -68.5182 26.4909 -20.1763 22.5551 11.5251 TIMING: 537800 CPU: 1693.23, 0.00314371/step Wall: 1693.23, 0.00314371/step, 3.89663 hours remaining, 235.835938 MB of memory in use. ENERGY: 537800 3983.3007 20490.3623 14495.2167 233.2692 -203623.1960 2749.7048 0.0000 0.0000 52300.5621 -109370.7803 300.5720 -161671.3424 -108995.6959 299.5147 71.4185 100.7529 762144.0317 -14.4276 -14.1948 PRESSURE: 538000 -128.715 -4.12838 53.6891 -4.12761 395.324 157.227 53.6899 157.228 240.931 GPRESSURE: 538000 -42.7951 29.3855 90.6467 -196.149 415.227 249.634 93.0137 145.822 210.272 PRESSAVG: 538000 -3.66603 -49.5904 6.49633 -49.5904 -8.18498 27.7866 6.49634 27.7866 1.82822 GPRESSAVG: 538000 -2.45687 -48.6055 7.01427 -53.5376 -8.41458 27.4637 6.08252 29.3622 0.741676 TIMING: 538000 CPU: 1693.86, 0.00314897/step Wall: 1693.86, 0.00314897/step, 3.90297 hours remaining, 235.835938 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: 538000 3975.0938 20424.3369 14505.6957 257.6283 -203763.5355 2856.7672 0.0000 0.0000 52193.5367 -109550.4769 299.9570 -161744.0136 -109183.5651 299.0393 169.1802 194.2348 763403.5519 -3.3409 -3.3766 PRESSURE: 538200 272.119 -153.548 192.812 -153.548 261.598 -38.2341 192.811 -38.2335 -104.949 GPRESSURE: 538200 285.725 -136.485 250.802 1.69012 231.563 -64.8534 186.254 10.2351 -23.9 PRESSAVG: 538200 29.7278 -56.5967 26.4296 -56.5967 -4.91137 34.7048 26.4297 34.7048 12.9783 GPRESSAVG: 538200 27.4743 -60.2104 24.9071 -52.9772 -5.35779 33.7988 28.5459 37.2349 14.4577 TIMING: 538200 CPU: 1694.49, 0.00313684/step Wall: 1694.49, 0.00313684/step, 3.88776 hours remaining, 235.835938 MB of memory in use. ENERGY: 538200 4000.7615 20507.7300 14523.5236 246.1261 -203883.4089 3079.9910 0.0000 0.0000 52156.6451 -109368.6317 299.7450 -161525.2768 -109007.0720 299.3211 142.9228 164.4627 761560.6546 12.5983 12.1914 PRESSURE: 538400 80.0942 10.9129 -331.418 10.9142 -140.562 -221.053 -331.417 -221.055 -170.886 GPRESSURE: 538400 115.053 -80.7426 -259.632 85.891 -158.122 -247.163 -356.673 -280.688 -84.2597 PRESSAVG: 538400 81.48 -16.6625 22.6815 -16.6625 -65.5892 22.2736 22.6814 22.2735 13.6876 GPRESSAVG: 538400 83.314 -16.353 25.2803 -17.8693 -64.5588 21.6733 20.3566 21.7916 11.5339 TIMING: 538400 CPU: 1695.12, 0.00315726/step Wall: 1695.12, 0.00315726/step, 3.9129 hours remaining, 235.835938 MB of memory in use. ENERGY: 538400 4028.6601 20462.0293 14439.0610 255.9341 -203701.5586 2905.8452 0.0000 0.0000 52279.3036 -109330.7254 300.4499 -161610.0289 -108972.3435 299.5370 -77.1180 -42.4428 762471.4591 9.8595 10.0964 PRESSURE: 538600 45.3291 70.6043 -3.73646 70.6042 80.9217 60.1656 -3.73594 60.166 322.335 GPRESSURE: 538600 125.232 118.306 20.8042 145.219 125.846 118.828 100.829 40.8973 289.577 PRESSAVG: 538600 22.6325 1.86363 -20.1985 1.86367 -20.1652 -21.5111 -20.1985 -21.5111 -5.07236 GPRESSAVG: 538600 22.2725 1.26765 -21.1254 2.13709 -20.3607 -22.0649 -19.7412 -22.5905 -4.10395 TIMING: 538600 CPU: 1695.75, 0.00314474/step Wall: 1695.75, 0.00314474/step, 3.8972 hours remaining, 235.835938 MB of memory in use. ENERGY: 538600 4029.6409 20395.2376 14418.5186 266.3242 -203270.5170 2900.8031 0.0000 0.0000 51894.4780 -109365.5146 298.2383 -161259.9926 -109008.1491 299.2142 149.5285 180.2182 762938.5544 -0.8683 -0.7307 PRESSURE: 538800 418.108 31.3723 -63.1115 31.3723 -176.298 139.961 -63.1112 139.961 33.8543 GPRESSURE: 538800 317.678 93.8212 51.9068 -61.6898 -42.0926 132.029 -82.0008 197.54 60.996 PRESSAVG: 538800 -1.1 -16.9605 -9.64409 -16.9605 -11.9022 -22.4917 -9.64407 -22.4917 -9.36727 GPRESSAVG: 538800 -1.97494 -14.8987 -11.0734 -17.9774 -12.426 -21.2719 -7.72687 -23.7078 -8.93328 TIMING: 538800 CPU: 1696.38, 0.00314299/step Wall: 1696.38, 0.00314299/step, 3.89486 hours remaining, 235.835938 MB of memory in use. ENERGY: 538800 3988.6299 20514.0485 14411.3477 242.1044 -203016.0941 2612.4911 0.0000 0.0000 51987.7375 -109259.7349 298.7742 -161247.4724 -108902.7680 299.4763 91.8880 112.1940 763794.9390 -7.4565 -7.7781 PRESSURE: 539000 153.998 -214.515 232.519 -214.516 -4.60214 154.126 232.519 154.126 107.293 GPRESSURE: 539000 246.489 -356.908 127.759 -119.708 7.9862 188.23 140.479 71.044 85.0845 PRESSAVG: 539000 11.1055 -15.6475 -58.7955 -15.6475 -15.8095 37.5453 -58.7954 37.5452 7.37061 GPRESSAVG: 539000 12.0344 -15.2181 -57.0358 -14.4907 -16.3026 36.2445 -61.8517 39.1019 6.61502 TIMING: 539000 CPU: 1697.01, 0.00313234/step Wall: 1697.01, 0.00313234/step, 3.88149 hours remaining, 235.835938 MB of memory in use. ENERGY: 539000 3954.3395 20473.2517 14427.1825 251.9820 -203217.0136 2706.9244 0.0000 0.0000 52183.2250 -109220.1085 299.8977 -161403.3335 -108869.2255 299.3648 85.5627 113.1865 762171.6558 0.8889 0.7823 PRESSURE: 539200 143.94 -74.1561 32.528 -74.1549 -35.895 130.814 32.528 130.814 86.924 GPRESSURE: 539200 175.578 -168.565 42.0696 -172.365 -37.9292 244.928 36.5568 38.6839 135.76 PRESSAVG: 539200 -36.3103 -16.7351 -18.8233 -16.735 36.6301 -32.0492 -18.8233 -32.0491 -4.64205 GPRESSAVG: 539200 -35.5639 -16.8113 -20.2244 -20.586 36.8175 -31.9937 -17.1702 -31.2609 -5.21397 TIMING: 539200 CPU: 1697.64, 0.00314707/step Wall: 1697.64, 0.00314707/step, 3.89957 hours remaining, 235.835938 MB of memory in use. ENERGY: 539200 3960.5369 20596.8285 14398.4217 259.1543 -203187.5970 2524.5194 0.0000 0.0000 52045.6510 -109402.4851 299.1071 -161448.1361 -109036.4526 298.6070 64.9896 91.1366 762926.5305 -1.4407 -1.3201 PRESSURE: 539400 28.1548 245.943 240.595 245.943 157.314 114.269 240.595 114.269 -178.04 GPRESSURE: 539400 20.6842 289.899 296.162 241.614 256.115 71.6887 202.083 124.363 -165.501 PRESSAVG: 539400 47.0754 -31.807 38.1952 -31.8069 -12.3603 -1.78788 38.1952 -1.78787 10.685 GPRESSAVG: 539400 46.7847 -30.784 39.5647 -28.2432 -11.693 -1.60065 37.4096 -2.8726 10.6699 TIMING: 539400 CPU: 1698.27, 0.00314791/step Wall: 1698.27, 0.00314791/step, 3.90044 hours remaining, 235.835938 MB of memory in use. ENERGY: 539400 3956.9528 20509.7099 14415.1144 244.5415 -203519.5726 2943.4980 0.0000 0.0000 51948.1771 -109501.5790 298.5469 -161449.7561 -109139.3803 298.9323 2.4763 37.0994 762663.9656 15.1334 15.2539 PRESSURE: 539600 88.34 69.799 11.9383 69.7988 21.9796 -263.214 11.9377 -263.214 64.4889 GPRESSURE: 539600 91.9769 142.762 105.839 19.026 39.8531 -233.974 119.019 -271.355 148.751 PRESSAVG: 539600 -21.1445 29.802 38.8266 29.802 2.86234 38.3631 38.8267 38.3632 4.61536 GPRESSAVG: 539600 -23.2638 29.6502 38.9715 28.8689 4.01223 37.7632 38.2034 37.3422 5.5192 TIMING: 539600 CPU: 1698.9, 0.00316682/step Wall: 1698.9, 0.00316682/step, 3.92369 hours remaining, 235.835938 MB of memory in use. ENERGY: 539600 3881.0369 20221.6915 14430.0156 262.3926 -203133.4818 2597.1136 0.0000 0.0000 52466.5148 -109274.7168 301.5258 -161741.2317 -108892.4030 299.4444 58.2695 93.5271 761515.3697 -4.5556 -4.5775 PRESSURE: 539800 603.123 17.2703 -192.43 17.2717 396.365 33.5148 -192.429 33.5135 384.367 GPRESSURE: 539800 606.493 33.8051 -163.731 26.0228 438.783 51.5939 -231.969 -73.5943 404.418 PRESSAVG: 539800 3.60833 -29.0827 28.333 -29.0828 -6.32308 53.1073 28.333 53.1073 5.80189 GPRESSAVG: 539800 5.20912 -29.5961 26.4921 -27.4485 -7.44272 54.5908 29.7875 54.4941 5.20914 TIMING: 539800 CPU: 1699.53, 0.00316924/step Wall: 1699.53, 0.00316924/step, 3.92652 hours remaining, 235.835938 MB of memory in use. ENERGY: 539800 3979.5483 20676.8771 14453.9387 221.1303 -204057.0229 3372.7470 0.0000 0.0000 52243.5286 -109109.2529 300.2443 -161352.7815 -108751.4521 299.8182 461.2849 483.2313 760682.8743 1.0290 0.9918 PRESSURE: 540000 232.636 -252.884 127.933 -252.884 -100.701 -58.4058 127.932 -58.4061 -117.65 GPRESSURE: 540000 282.235 -261.99 142.357 -208.685 -110.093 -87.3199 136.359 -75.7736 -87.9012 PRESSAVG: 540000 22.7296 -44.4905 -23.8717 -44.4905 -38.514 5.79091 -23.8718 5.79099 6.43357 GPRESSAVG: 540000 22.9552 -44.017 -23.0688 -44.799 -39.3797 4.80477 -25.8541 4.24214 7.10974 TIMING: 540000 CPU: 1700.16, 0.00313161/step Wall: 1700.16, 0.00313161/step, 3.87972 hours remaining, 235.835938 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: 540000 3986.2952 20606.6733 14538.2362 239.3645 -202682.8722 2362.5194 0.0000 0.0000 51794.6847 -109155.0989 297.6648 -160949.7836 -108811.0805 299.2625 4.7616 28.0801 761762.7488 -3.1169 -3.1049 PRESSURE: 540200 -108.476 24.0076 -55.7962 24.0079 -211.218 -270.445 -55.796 -270.445 -138.271 GPRESSURE: 540200 -54.4851 -1.04792 -7.60093 21.4553 -215.33 -286.855 17.6147 -144.335 -124.905 PRESSAVG: 540200 11.0956 -65.116 -12.4884 -65.1161 -20.7058 -34.3233 -12.4884 -34.3233 2.0831 GPRESSAVG: 540200 9.37297 -65.1383 -11.6352 -65.7752 -20.5021 -34.0581 -12.5793 -33.4169 3.45303 TIMING: 540200 CPU: 1700.79, 0.003146/step Wall: 1700.79, 0.003146/step, 3.89737 hours remaining, 235.835938 MB of memory in use. ENERGY: 540200 3881.8585 20624.2984 14462.9096 235.4928 -202625.4198 2284.2641 0.0000 0.0000 52048.6404 -109087.9558 299.1243 -161136.5962 -108735.2895 299.3821 -152.6551 -131.5734 764981.6385 -2.5090 -2.5587 LDB: ============= START OF LOAD BALANCING ============== 1713.24 LDB: ============== END OF LOAD BALANCING =============== 1713.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1713.24 LDB: ============= START OF LOAD BALANCING ============== 1713.55 LDB: Largest compute 7026 load 0.035761 is 18.4% of average load 0.194825 LDB: Average compute 0.004404 is 2.3% of average load 0.194825 LDB: TIME 1713.56 LOAD: AVG 0.194825 MAX 0.21504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 1713.56 LOAD: AVG 0.194825 MAX 0.21504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.777 MB LDB: TIME 1713.56 LOAD: AVG 0.194825 MAX 0.21504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.777 MB LDB: ============== END OF LOAD BALANCING =============== 1713.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1713.56 PRESSURE: 540400 -37.6065 -14.0577 -225.884 -14.0578 -44.6617 83.0706 -225.884 83.0701 -82.8281 GPRESSURE: 540400 -24.8082 -135.074 -274.89 0.802168 -20.8323 62.4372 -157.732 3.38331 -43.5443 PRESSAVG: 540400 8.75285 -72.4954 -16.2338 -72.4954 4.87356 -13.4943 -16.2338 -13.4943 -3.61499 GPRESSAVG: 540400 9.97779 -74.6104 -17.9785 -71.1979 5.33551 -14.7588 -13.9095 -13.4734 -5.68572 TIMING: 540400 CPU: 1701.43, 0.0032016/step Wall: 1701.43, 0.0032016/step, 3.96606 hours remaining, 236.308594 MB of memory in use. ENERGY: 540400 3986.9809 20691.7931 14566.2480 254.2513 -203081.6060 2766.7034 0.0000 0.0000 51949.6355 -108865.9938 298.5553 -160815.6293 -108505.1575 299.4632 -55.0321 -29.7283 762370.1782 3.3371 3.2092 PRESSURE: 540600 -105.323 -54.2908 -31.8173 -54.2916 -267.391 176.15 -31.8179 176.151 -236.828 GPRESSURE: 540600 -193.533 52.8189 4.89734 -106.194 -74.0583 233.686 -4.9463 207.156 -274.221 PRESSAVG: 540600 -38.7113 -65.6492 -2.06696 -65.6492 -7.32903 -4.43475 -2.06695 -4.43473 25.8099 GPRESSAVG: 540600 -38.5877 -64.5448 -2.97065 -66.4233 -8.40368 -2.07298 -4.60627 -6.76777 26.9899 TIMING: 540600 CPU: 1702.06, 0.0031521/step Wall: 1702.06, 0.0031521/step, 3.90458 hours remaining, 236.765625 MB of memory in use. ENERGY: 540600 3991.4692 20678.2304 14449.1464 226.7065 -202944.0351 2520.9396 0.0000 0.0000 52363.4173 -108714.1257 300.9333 -161077.5431 -108352.3434 300.3730 -203.1807 -180.6042 763523.6448 -6.7435 -6.6672 PRESSURE: 540800 34.0652 -57.437 -160.469 -57.4373 80.8768 -199.316 -160.47 -199.316 45.7161 GPRESSURE: 540800 51.743 -76.3738 -218.571 21.6594 57.7885 -227.449 -134.488 -157.003 136.291 PRESSAVG: 540800 20.241 -59.9196 25.511 -59.9196 -59.0659 31.2349 25.5109 31.2349 18.933 GPRESSAVG: 540800 20.0364 -59.1462 27.2522 -60.102 -57.6633 30.0223 27.0394 35.1468 17.7142 TIMING: 540800 CPU: 1702.69, 0.0031329/step Wall: 1702.69, 0.0031329/step, 3.88062 hours remaining, 236.765625 MB of memory in use. ENERGY: 540800 4018.8038 20466.6551 14437.3512 242.6132 -203301.9378 3035.5859 0.0000 0.0000 52436.2879 -108664.6407 301.3521 -161100.9286 -108309.0615 300.9707 53.5527 81.9409 763171.0279 -6.6306 -6.6375 PRESSURE: 541000 -102.029 -96.9518 -228.546 -96.9515 43.1317 -187.093 -228.546 -187.092 -255.77 GPRESSURE: 541000 -150.306 21.2674 -267.182 -122.556 103.269 -169.92 -193.215 -300.637 -196.712 PRESSAVG: 541000 55.9138 -4.92555 18.8789 -4.92549 -49.977 -3.7514 18.8789 -3.75143 9.8241 GPRESSAVG: 541000 56.5283 -5.14352 17.0272 -4.77472 -50.4545 -3.38606 20.0402 -5.29487 10.197 TIMING: 541000 CPU: 1703.31, 0.00314205/step Wall: 1703.31, 0.00314205/step, 3.89178 hours remaining, 236.765625 MB of memory in use. ENERGY: 541000 4039.1213 20659.1975 14500.0271 265.8699 -203003.2040 2664.0800 0.0000 0.0000 52166.7161 -108708.1920 299.8028 -160874.9082 -108354.2537 300.6736 -104.8892 -81.2498 762099.8375 5.2536 5.4236 PRESSURE: 541200 460.778 68.545 123.957 68.5446 75.5257 -110.129 123.956 -110.13 -52.0946 GPRESSURE: 541200 385.126 198.191 65.4552 24.9143 160.409 -51.9179 34.4472 -128.333 8.8515 PRESSAVG: 541200 3.29862 -56.5603 -30.6461 -56.5604 -0.0828788 -55.2461 -30.6461 -55.2461 -14.8413 GPRESSAVG: 541200 3.5326 -54.8611 -30.7405 -58.3875 -1.05164 -54.9924 -31.7658 -56.648 -13.2708 TIMING: 541200 CPU: 1703.94, 0.00315593/step Wall: 1703.94, 0.00315593/step, 3.9088 hours remaining, 236.765625 MB of memory in use. ENERGY: 541200 3940.8386 20632.4103 14528.5657 243.5123 -203143.4110 2760.0988 0.0000 0.0000 52325.9300 -108712.0553 300.7178 -161037.9854 -108346.9898 300.5846 161.4031 184.7956 760791.3119 -3.8752 -3.5966 PRESSURE: 541400 -78.767 -19.5217 20.0018 -19.5217 -75.2637 6.52656 20.0014 6.52518 476.818 GPRESSURE: 541400 -34.8101 59.2131 -17.9935 -174.387 71.0409 48.5073 -16.0088 -75.3838 370.936 PRESSAVG: 541400 6.28583 -50.714 -4.44918 -50.7141 -20.7423 12.8616 -4.44919 12.8616 10.0604 GPRESSAVG: 541400 5.84173 -51.4467 -3.3894 -49.8471 -20.1488 12.269 -3.33935 14.965 9.33904 TIMING: 541400 CPU: 1704.57, 0.00313244/step Wall: 1704.57, 0.00313244/step, 3.87953 hours remaining, 236.765625 MB of memory in use. ENERGY: 541400 3918.4823 20507.1570 14501.3296 268.7341 -202945.5278 2684.8433 0.0000 0.0000 52254.0962 -108810.8852 300.3050 -161064.9815 -108443.2138 301.1228 107.5957 135.7222 762727.1210 -1.4654 -1.6560 PRESSURE: 541600 118.27 -92.6969 63.0976 -92.6966 -10.7329 59.0624 63.0969 59.0627 423.07 GPRESSURE: 541600 184.825 -30.4788 6.9134 -231.193 -50.3597 194.031 53.6761 -93.1508 475.937 PRESSAVG: 541600 -9.73008 -107.126 -16.5739 -107.126 19.2342 -5.53499 -16.5738 -5.53502 -6.36814 GPRESSAVG: 541600 -9.90244 -106.753 -15.7625 -107.933 20.6642 -5.27537 -18.4175 -7.86885 -6.79862 TIMING: 541600 CPU: 1705.2, 0.00313992/step Wall: 1705.2, 0.00313992/step, 3.88861 hours remaining, 236.765625 MB of memory in use. ENERGY: 541600 3999.5929 20574.6618 14483.7341 245.8925 -202975.2511 2462.6929 0.0000 0.0000 52386.1345 -108822.5424 301.0638 -161208.6769 -108452.5327 300.1006 176.8690 203.4674 761345.7012 1.0453 1.3210 PRESSURE: 541800 219.493 54.8081 12.7129 54.8086 -31.8243 172.171 12.7132 172.172 179.822 GPRESSURE: 541800 268.934 140.889 116.267 39.1568 -3.4427 153.951 -51.3442 116.605 183.242 PRESSAVG: 541800 25.0658 -66.8421 -1.15917 -66.8421 -21.3275 3.14377 -1.15912 3.14376 17.5789 GPRESSAVG: 541800 27.2698 -66.2296 -2.10694 -64.8331 -22.3543 3.62372 -1.39353 1.29265 16.5701 TIMING: 541800 CPU: 1705.83, 0.00313948/step Wall: 1705.83, 0.00313948/step, 3.88789 hours remaining, 236.765625 MB of memory in use. ENERGY: 541800 4022.2217 20669.7552 14564.4880 246.7323 -203190.9544 2807.7775 0.0000 0.0000 52191.2681 -108688.7116 299.9439 -160879.9797 -108331.3583 300.6242 122.4969 149.5777 762131.7840 7.1057 7.1619 PRESSURE: 542000 7.07057 -32.7597 -95.7622 -32.7599 -57.5555 -311.964 -95.7632 -311.964 -9.26461 GPRESSURE: 542000 47.5349 -123.195 -117.419 -155.165 -104.581 -179.402 4.25463 -326.593 56.2778 PRESSAVG: 542000 14.0205 -58.5698 46.3424 -58.5698 -40.3733 27.5268 46.3424 27.5268 -18.212 GPRESSAVG: 542000 12.006 -60.1731 46.1472 -59.0878 -40.5997 27.321 49.2007 29.7854 -15.8233 TIMING: 542000 CPU: 1706.46, 0.00315898/step Wall: 1706.46, 0.00315898/step, 3.91188 hours remaining, 236.765625 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: 542000 3977.6063 20588.7233 14497.9389 249.9857 -203308.5147 2940.3286 0.0000 0.0000 52207.3702 -108846.5616 300.0365 -161053.9319 -108483.4952 300.8335 -19.9165 -0.2561 762320.3796 -14.8549 -14.8057 PRESSURE: 542200 274.659 -10.2239 115.489 -10.2232 -116.71 233.63 115.489 233.631 253.17 GPRESSURE: 542200 299.714 -20.1627 175.253 -60.6029 -76.9746 208.316 87.4767 151.009 276.13 PRESSAVG: 542200 32.4057 -47.1983 77.0928 -47.1984 -30.1443 29.9936 77.0927 29.9935 18.2618 GPRESSAVG: 542200 33.6005 -48.1415 76.6755 -45.4617 -30.2182 29.3756 75.1007 29.6707 17.1082 TIMING: 542200 CPU: 1707.09, 0.00315372/step Wall: 1707.09, 0.00315372/step, 3.90518 hours remaining, 236.765625 MB of memory in use. ENERGY: 542200 3997.2498 20573.6898 14441.0213 238.5097 -203348.2092 2939.6860 0.0000 0.0000 52406.5986 -108751.4540 301.1814 -161158.0526 -108387.4579 300.5214 137.0394 166.2900 762582.2769 6.8411 6.8302 PRESSURE: 542400 235.894 -90.6619 -65.0817 -90.6619 -157.655 68.317 -65.0814 68.3168 -67.8199 GPRESSURE: 542400 235.264 -59.1614 -46.6268 -56.053 -26.9153 125.741 -151.878 147.763 -126.666 PRESSAVG: 542400 20.4229 -24.9686 58.912 -24.9687 -42.2061 1.31521 58.912 1.31522 -9.59691 GPRESSAVG: 542400 20.5561 -23.3517 60.1525 -26.2472 -41.1182 1.79372 58.9379 1.56581 -10.8549 TIMING: 542400 CPU: 1707.72, 0.00314147/step Wall: 1707.72, 0.00314147/step, 3.88983 hours remaining, 236.765625 MB of memory in use. ENERGY: 542400 4023.1154 20555.0031 14526.3935 248.2035 -203237.0641 2653.9983 0.0000 0.0000 52195.5720 -109034.7783 299.9687 -161230.3503 -108673.0977 299.9049 3.4732 27.2275 761708.0474 -10.4600 -10.4723 PRESSURE: 542600 16.3436 -61.5841 -416.215 -61.584 -5.31653 -82.5924 -416.214 -82.5926 -413.617 GPRESSURE: 542600 107.971 -99.5159 -364.944 -76.7555 5.19467 -28.3035 -347.256 -126.467 -418.211 PRESSAVG: 542600 39.0379 60.0986 14.4381 60.0985 -47.5156 32.7821 14.4382 32.7821 -38.4902 GPRESSAVG: 542600 39.5639 59.6081 13.1871 59.5586 -48.6237 32.9262 17.1077 32.1389 -37.6776 TIMING: 542600 CPU: 1708.35, 0.00315006/step Wall: 1708.35, 0.00315006/step, 3.9003 hours remaining, 236.765625 MB of memory in use. ENERGY: 542600 3943.8590 20467.6204 14528.0026 250.0329 -203447.2287 2843.7699 0.0000 0.0000 52096.8372 -109317.1066 299.4012 -161413.9438 -108952.5554 299.0770 -134.1967 -101.6815 763046.7918 -15.6560 -15.5791 PRESSURE: 542800 68.2607 -66.6362 -24.0486 -66.6364 346.97 -362.76 -24.0481 -362.761 370.323 GPRESSURE: 542800 162.152 -101.737 6.69022 -64.8754 344.613 -314.484 -6.77975 -416.999 367.016 PRESSAVG: 542800 -20.7784 37.6507 24.0867 37.6507 -3.58708 -11.0841 24.0868 -11.0841 -0.653594 GPRESSAVG: 542800 -21.0029 36.0804 24.284 37.5221 -2.996 -12.0651 20.9493 -9.47811 -1.43797 TIMING: 542800 CPU: 1708.98, 0.00316026/step Wall: 1708.98, 0.00316026/step, 3.91275 hours remaining, 236.765625 MB of memory in use. ENERGY: 542800 3862.8179 20489.1298 14464.4197 257.0414 -203310.0956 2681.7519 0.0000 0.0000 51913.2868 -109641.6479 298.3464 -161554.9347 -109286.0612 298.7651 261.8512 291.2603 763309.9957 -8.3397 -8.4789 PRESSURE: 543000 19.1644 136.941 -157.118 136.94 19.9124 313.866 -157.118 313.866 596.973 GPRESSURE: 543000 23.674 129.476 -118.224 224.764 160.589 299.336 -150.812 54.4967 523.784 PRESSAVG: 543000 11.6903 -6.73633 71.5989 -6.73634 20.2666 -23.0449 71.599 -23.0449 4.06301 GPRESSAVG: 543000 11.0676 -5.35271 71.3199 -7.13666 20.7648 -23.457 74.9518 -23.4468 4.00604 TIMING: 543000 CPU: 1709.61, 0.0031675/step Wall: 1709.61, 0.0031675/step, 3.92154 hours remaining, 236.765625 MB of memory in use. ENERGY: 543000 3889.6954 20299.4489 14417.3554 260.0845 -203166.5743 2627.6037 0.0000 0.0000 51871.7447 -109800.6416 298.1076 -161672.3863 -109438.2145 298.0571 212.0164 236.0156 761638.1772 12.0067 11.9462 PRESSURE: 543200 -547.011 -158.097 285.114 -158.097 -257.101 -33.5403 285.114 -33.5395 328.34 GPRESSURE: 543200 -426.69 -236.871 251.772 -128.958 -317.946 -128.299 190.298 -14.7863 339.453 PRESSAVG: 543200 16.2801 -59.0001 12.1812 -59.0001 33.5115 -24.0801 12.1813 -24.0801 7.86897 GPRESSAVG: 543200 16.6556 -57.8848 14.0532 -58.8995 32.8379 -24.3469 9.92066 -22.7211 8.27345 TIMING: 543200 CPU: 1710.25, 0.00317029/step Wall: 1710.25, 0.00317029/step, 3.92482 hours remaining, 236.765625 MB of memory in use. ENERGY: 543200 3964.1342 20629.1086 14491.4764 253.3079 -203436.6889 2385.9645 0.0000 0.0000 51986.6588 -109726.0386 298.7680 -161712.6974 -109360.0600 298.2457 -158.5910 -135.0609 763866.9989 19.2202 19.2557 PRESSURE: 543400 -358.727 -111.499 -87.2476 -111.499 440.502 -5.59452 -87.248 -5.59495 52.1677 GPRESSURE: 543400 -348.683 -173.731 -49.1586 -151.826 463.728 7.08975 -112.589 81.3332 91.5512 PRESSAVG: 543400 -28.123 -66.8949 10.8451 -66.8949 5.75381 40.2125 10.8451 40.2125 21.1839 GPRESSAVG: 543400 -27.8559 -69.2212 11.4143 -64.9228 4.60803 43.3815 10.4475 40.1792 22.0146 TIMING: 543400 CPU: 1710.88, 0.00315585/step Wall: 1710.88, 0.00315585/step, 3.90677 hours remaining, 236.765625 MB of memory in use. ENERGY: 543400 3906.8489 20400.6123 14442.5016 241.3732 -203517.2454 2759.3189 0.0000 0.0000 52067.8384 -109698.7520 299.2346 -161766.5905 -109330.2762 298.1640 44.6474 68.8655 763854.9365 -0.3951 -0.4111 PRESSURE: 543600 -77.7792 -54.0601 162.021 -54.0599 -330.488 71.757 162.02 71.7568 92.0055 GPRESSURE: 543600 -114.254 -16.8139 104.769 -108.982 -203.646 168.438 75.3244 -83.4118 83.2875 PRESSAVG: 543600 -14.9027 -53.5289 -10.96 -53.5289 11.5718 -9.08806 -10.9601 -9.08807 -21.3773 GPRESSAVG: 543600 -15.5452 -52.4914 -13.7495 -54.3404 12.4922 -11.0272 -9.93382 -10.356 -21.1528 TIMING: 543600 CPU: 1711.51, 0.00315824/step Wall: 1711.51, 0.00315824/step, 3.90955 hours remaining, 236.765625 MB of memory in use. ENERGY: 543600 3998.9921 20550.7027 14503.7833 233.9836 -203535.4918 2769.6416 0.0000 0.0000 51877.3281 -109601.0602 298.1397 -161478.3884 -109242.7954 298.3144 -105.4207 -78.2041 765372.7374 -8.2361 -8.0686 PRESSURE: 543800 -36.5529 7.61347 75.822 7.6138 108.771 239.573 75.8212 239.574 447.948 GPRESSURE: 543800 66.338 34.3901 131.724 -68.8738 99.6362 254.313 70.8164 296.92 440.517 PRESSAVG: 543800 -33.3507 9.58736 17.9687 9.58736 36.9107 47.4326 17.9688 47.4327 23.4243 GPRESSAVG: 543800 -33.3949 9.62263 19.366 9.04737 37.5146 47.7931 15.6021 48.6766 22.7203 TIMING: 543800 CPU: 1712.14, 0.00315613/step Wall: 1712.14, 0.00315613/step, 3.90676 hours remaining, 236.765625 MB of memory in use. ENERGY: 543800 4025.0518 20476.3402 14492.0760 224.2436 -203758.2838 3191.8964 0.0000 0.0000 52081.9662 -109266.7097 299.3158 -161348.6758 -108909.8233 299.1505 173.3884 202.1637 762682.4871 8.9948 8.9467 PRESSURE: 544000 -27.6108 -207.483 -65.1695 -207.483 186.878 74.3633 -65.1702 74.3649 -178.876 GPRESSURE: 544000 9.62231 -92.946 -10.0704 -161.548 228.512 104.433 -183.519 181.347 -165.894 PRESSAVG: 544000 -35.9446 -59.1663 0.29097 -59.1663 7.05107 -17.4216 0.290946 -17.4216 7.14724 GPRESSAVG: 544000 -34.9603 -59.25 0.574736 -59.1595 6.3629 -17.3057 0.653589 -20.0869 7.2567 TIMING: 544000 CPU: 1712.78, 0.00316992/step Wall: 1712.78, 0.00316992/step, 3.92366 hours remaining, 236.765625 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: 544000 4104.9875 20470.5533 14520.9930 257.7437 -203682.1568 2837.4657 0.0000 0.0000 52081.5168 -109408.8968 299.3132 -161490.4137 -109060.9290 299.0628 -6.5364 24.0801 761836.1596 -7.2488 -7.1136 PRESSURE: 544200 -191.545 75.6804 161.681 75.68 -315.201 206.482 161.681 206.482 -100.382 GPRESSURE: 544200 -128.523 28.9677 183.742 124.287 -296.636 176.25 103.223 232.16 -103.242 PRESSAVG: 544200 -26.7494 -17.6545 -0.30906 -17.6545 28.4047 51.4204 -0.30908 51.4203 -15.9909 GPRESSAVG: 544200 -26.0291 -17.0301 -2.62598 -15.6587 28.0022 50.7562 0.74057 53.8281 -16.1528 TIMING: 544200 CPU: 1713.41, 0.00316994/step Wall: 1713.41, 0.00316994/step, 3.92351 hours remaining, 236.765625 MB of memory in use. ENERGY: 544200 3970.8118 20571.0866 14451.2937 237.2579 -203306.1586 2562.3194 0.0000 0.0000 52169.2908 -109344.0984 299.8176 -161513.3893 -108983.1237 299.6809 -202.3758 -176.1339 763536.3211 -4.7785 -4.7265 LDB: ============= START OF LOAD BALANCING ============== 1725.86 LDB: ============== END OF LOAD BALANCING =============== 1725.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1725.87 LDB: ============= START OF LOAD BALANCING ============== 1726.18 LDB: Largest compute 7026 load 0.036025 is 18.5% of average load 0.194895 LDB: Average compute 0.004412 is 2.3% of average load 0.194895 LDB: TIME 1726.19 LOAD: AVG 0.194895 MAX 0.2135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 1726.19 LOAD: AVG 0.194895 MAX 0.2135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 1726.19 LOAD: AVG 0.194895 MAX 0.2135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 1726.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1726.19 PRESSURE: 544400 -176.605 172.927 157.434 172.928 -117.346 13.9195 157.435 13.92 -128.325 GPRESSURE: 544400 -117.109 217.783 164.664 113.794 -74.9386 -39.7862 150.387 108.621 -136.709 PRESSAVG: 544400 -20.0879 36.1094 -49.6337 36.1094 24.7178 -1.75634 -49.6337 -1.75629 7.94847 GPRESSAVG: 544400 -20.7008 35.2569 -48.5505 34.3958 25.9455 -2.60707 -48.9291 -0.541699 7.69764 TIMING: 544400 CPU: 1714.06, 0.00323776/step Wall: 1714.06, 0.00323776/step, 4.00726 hours remaining, 235.250000 MB of memory in use. ENERGY: 544400 3969.1902 20606.5775 14468.1520 259.2657 -203216.6876 2541.3629 0.0000 0.0000 52319.1968 -109052.9423 300.6791 -161372.1391 -108694.6524 299.5076 -140.7584 -109.5853 761936.0955 4.1928 4.3141 PRESSURE: 544600 70.0545 187.786 -11.0869 187.786 6.06673 -40.1642 -11.0874 -40.1639 -56.487 GPRESSURE: 544600 178.214 210.293 -42.3171 156.341 -11.9724 -66.8359 89.9249 -69.1419 -45.1721 PRESSAVG: 544600 -44.8045 -31.8081 -58.3252 -31.8082 35.6774 -34.8043 -58.3252 -34.8042 -11.5376 GPRESSAVG: 544600 -44.2636 -31.6388 -58.3815 -30.1597 35.0896 -34.8105 -57.9863 -35.7643 -11.8124 TIMING: 544600 CPU: 1714.69, 0.00315575/step Wall: 1714.69, 0.00315575/step, 3.90559 hours remaining, 235.453125 MB of memory in use. ENERGY: 544600 3954.3734 20495.5400 14434.2211 264.5478 -203202.8281 2712.4765 0.0000 0.0000 52411.8696 -108929.7998 301.2117 -161341.6694 -108570.1046 300.2150 6.5447 40.3566 762159.0410 -6.8882 -6.9955 PRESSURE: 544800 11.8356 91.2405 15.3747 91.2413 128.071 76.5396 15.3756 76.5398 45.2877 GPRESSURE: 544800 71.5673 -37.939 2.36298 160.714 190.237 22.9704 -44.6972 128.162 -9.98474 PRESSAVG: 544800 12.9763 -23.0579 22.7129 -23.0579 -10.9428 -5.03763 22.7129 -5.0377 6.23437 GPRESSAVG: 544800 12.5451 -23.9886 24.4528 -24.492 -10.551 -5.95223 22.4224 -6.7081 6.38885 TIMING: 544800 CPU: 1715.33, 0.00318908/step Wall: 1715.33, 0.00318908/step, 3.94667 hours remaining, 235.453125 MB of memory in use. ENERGY: 544800 3902.2854 20534.8203 14396.6382 224.5059 -202989.4867 2612.7648 0.0000 0.0000 52090.8584 -109227.6137 299.3669 -161318.4721 -108864.9270 300.0588 61.7315 83.9397 764138.1568 2.7559 2.7943 PRESSURE: 545000 239.805 -193.59 12.2334 -193.591 24.1666 -147.804 12.2327 -147.803 195.538 GPRESSURE: 545000 285.718 -252.876 54.5748 -103.038 46.4596 -141.073 85.4202 -59.8427 212.391 PRESSAVG: 545000 -35.8287 -60.642 2.59056 -60.642 24.4598 -29.5766 2.59052 -29.5766 10.0255 GPRESSAVG: 545000 -36.1304 -59.2203 1.65695 -59.1358 24.2788 -28.0668 2.40056 -29.4831 10.563 TIMING: 545000 CPU: 1715.96, 0.00319318/step Wall: 1715.96, 0.00319318/step, 3.95156 hours remaining, 235.453125 MB of memory in use. ENERGY: 545000 3954.0821 20416.1136 14501.7449 251.7755 -203051.0770 2697.3899 0.0000 0.0000 52003.4297 -109226.5413 298.8644 -161229.9710 -108872.7994 299.1985 153.1696 181.5230 762652.9622 -0.4478 -0.4295 PRESSURE: 545200 -415.945 -57.3952 162.715 -57.3951 -52.0251 1.83806 162.714 1.83754 79.5725 GPRESSURE: 545200 -317.207 -136.553 209.434 -55.9939 -77.4207 -26.53 226.409 26.2938 98.8724 PRESSAVG: 545200 -13.0941 -37.9187 32.5688 -37.9187 20.3138 -0.818886 32.5688 -0.818866 -17.0962 GPRESSAVG: 545200 -11.9967 -37.8471 33.7137 -38.8611 19.4229 -2.03169 31.9025 1.84004 -17.3356 TIMING: 545200 CPU: 1716.6, 0.0031772/step Wall: 1716.6, 0.0031772/step, 3.9316 hours remaining, 235.453125 MB of memory in use. ENERGY: 545200 3883.0514 20492.1172 14436.0241 249.5339 -202823.8413 2252.8828 0.0000 0.0000 52286.5619 -109223.6701 300.4916 -161510.2319 -108849.7597 299.6845 -129.4658 -98.5851 763062.0893 -3.2921 -3.3031 PRESSURE: 545400 330.525 136.658 159.693 136.658 173.773 -29.2804 159.693 -29.2793 144.224 GPRESSURE: 545400 402.896 118.255 107.239 -83.6563 144.786 -83.2807 172.348 26.714 163.132 PRESSAVG: 545400 -26.2803 -33.454 -5.3368 -33.4541 35.3686 -9.88754 -5.33685 -9.88754 -17.0217 GPRESSAVG: 545400 -26.6748 -32.1574 -7.1455 -35.1818 34.5278 -8.7704 -4.1117 -11.4904 -16.9194 TIMING: 545400 CPU: 1717.23, 0.0031614/step Wall: 1717.23, 0.0031614/step, 3.91188 hours remaining, 235.453125 MB of memory in use. ENERGY: 545400 3954.3956 20595.8469 14437.4644 260.9975 -203042.6955 2750.8267 0.0000 0.0000 51896.2168 -109146.9477 298.2483 -161043.1645 -108787.9246 299.0926 216.1737 236.9381 762677.9300 -2.6444 -3.0221 PRESSURE: 545600 -163.492 -27.7238 75.7773 -27.7233 -15.553 12.3216 75.7772 12.3213 -86.3153 GPRESSURE: 545600 -194.314 79.5719 171.016 104.217 37.9743 -95.3024 29.511 106.658 -10.0577 PRESSAVG: 545600 8.90907 -57.6155 35.6454 -57.6155 16.6267 -18.1199 35.6454 -18.12 -11.4754 GPRESSAVG: 545600 9.20681 -57.0009 38.3386 -56.5411 17.5757 -18.7666 33.748 -18.4077 -11.6675 TIMING: 545600 CPU: 1717.87, 0.00317036/step Wall: 1717.87, 0.00317036/step, 3.9228 hours remaining, 235.453125 MB of memory in use. ENERGY: 545600 4000.0324 20519.0243 14445.2417 247.0026 -203141.7016 2704.8392 0.0000 0.0000 52053.7932 -109171.7681 299.1539 -161225.5614 -108813.0105 299.4576 -88.4534 -55.4659 763021.9688 4.6868 5.0383 PRESSURE: 545800 373.364 167.425 133.626 167.426 -251.407 -236.495 133.626 -236.497 201.99 GPRESSURE: 545800 333.824 180.882 77.16 190.094 -189.853 -265.572 266.527 -115.844 244.713 PRESSAVG: 545800 -23.8698 6.11331 -7.17073 6.11331 -28.5398 -31.4982 -7.17069 -31.4983 29.8986 GPRESSAVG: 545800 -25.1743 6.16979 -9.92112 5.2906 -27.0629 -31.6994 -5.16112 -30.2683 29.804 TIMING: 545800 CPU: 1718.5, 0.00314499/step Wall: 1718.5, 0.00314499/step, 3.89123 hours remaining, 235.453125 MB of memory in use. ENERGY: 545800 4029.6901 20360.4623 14533.7397 254.1334 -203446.8152 2795.9031 0.0000 0.0000 52151.9004 -109320.9862 299.7177 -161472.8866 -108954.4304 299.0907 107.9824 129.5613 761682.4528 -7.5037 -7.4777 PRESSURE: 546000 204.568 146.699 -288.483 146.699 228.916 -25.3672 -288.483 -25.3683 164.504 GPRESSURE: 546000 318.325 161.739 -257.865 192.742 234.788 -93.8058 -205.665 -83.98 147.084 PRESSAVG: 546000 21.357 -20.8935 7.03742 -20.8935 -8.80454 -12.2479 7.03743 -12.248 -19.8385 GPRESSAVG: 546000 22.2035 -22.1152 5.63361 -20.3695 -10.125 -12.3415 8.08243 -14.9427 -19.3325 TIMING: 546000 CPU: 1719.13, 0.00316313/step Wall: 1719.13, 0.00316313/step, 3.91349 hours remaining, 235.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 3969.4676 20331.4879 14499.7616 237.9798 -203189.7856 2743.2875 0.0000 0.0000 51914.0196 -109493.7816 298.3506 -161407.8012 -109138.3098 299.0744 199.3296 233.3989 762653.7093 -2.4287 -2.4180 PRESSURE: 546200 -254.711 -134.178 -16.827 -134.179 -187.068 52.2543 -16.8265 52.2539 116.537 GPRESSURE: 546200 -180.461 -158.88 115.046 -138.243 -157.241 152.988 -4.12115 -38.9605 95.3666 PRESSAVG: 546200 82.1953 -24.1504 -36.9606 -24.1505 -84.929 -78.9863 -36.9607 -78.9864 -10.8924 GPRESSAVG: 546200 82.6755 -23.7977 -34.2762 -22.7485 -85.4669 -77.577 -38.0904 -78.6484 -11.1089 TIMING: 546200 CPU: 1719.76, 0.00316248/step Wall: 1719.76, 0.00316248/step, 3.91251 hours remaining, 235.453125 MB of memory in use. ENERGY: 546200 3890.7856 20389.8916 14485.6155 265.5241 -203838.9188 3030.1922 0.0000 0.0000 52132.6947 -109644.2151 299.6073 -161776.9098 -109283.0084 298.9557 -108.4142 -80.7783 761587.2986 -4.5420 -4.6334 PRESSURE: 546400 -35.0121 -181.929 77.01 -181.929 -82.3958 105.515 77.0094 105.514 -6.27926 GPRESSURE: 546400 -17.6209 -250.953 108.579 -108.828 -50.2553 77.8113 53.2439 65.9153 24.9767 PRESSAVG: 546400 52.4495 -40.5593 -40.6721 -40.5593 -30.5149 34.4494 -40.6721 34.4495 22.4809 GPRESSAVG: 546400 52.7612 -41.6051 -41.4635 -41.2176 -30.3188 32.8582 -38.3348 34.3489 22.6381 TIMING: 546400 CPU: 1720.39, 0.00316369/step Wall: 1720.39, 0.00316369/step, 3.91383 hours remaining, 235.453125 MB of memory in use. ENERGY: 546400 3848.3426 20469.6729 14537.2315 240.6801 -203235.4678 2391.1502 0.0000 0.0000 51896.4169 -109851.9736 298.2494 -161748.3905 -109496.6288 298.3518 -41.2291 -14.2999 761370.3205 14.8051 15.0268 PRESSURE: 546600 -22.4084 -79.7564 -344.822 -79.7579 -381.749 -17.8674 -344.822 -17.8677 -395.498 GPRESSURE: 546600 6.36508 -148.001 -414.62 -118.8 -364.591 -18.8791 -282.816 31.8187 -366.122 PRESSAVG: 546600 47.9129 -99.9825 -28.796 -99.9825 -43.4121 -59.0201 -28.7961 -59.0201 -11.3201 GPRESSAVG: 546600 46.9506 -100.714 -28.1548 -100.031 -43.3047 -59.6883 -31.4121 -56.8801 -10.2122 TIMING: 546600 CPU: 1721.02, 0.00314769/step Wall: 1721.02, 0.00314769/step, 3.89386 hours remaining, 235.453125 MB of memory in use. ENERGY: 546600 3905.7401 20449.2470 14463.2832 248.7384 -203882.2902 2850.6827 0.0000 0.0000 51851.6459 -110112.9528 297.9921 -161964.5987 -109754.1603 297.5655 -266.5521 -241.4491 761881.1406 -2.2731 -2.1887 PRESSURE: 546800 36.9919 56.3036 -19.1708 56.3026 -46.8774 -83.0248 -19.1723 -83.0244 -149.549 GPRESSURE: 546800 98.0028 78.9409 -65.4979 154.246 -56.6094 -156.935 -76.9504 -9.25757 -103.4 PRESSAVG: 546800 33.8399 -37.8504 -43.1391 -37.8504 -48.6934 -33.1488 -43.139 -33.1488 12.9267 GPRESSAVG: 546800 34.862 -38.0384 -43.6846 -36.0234 -48.829 -32.2009 -42.0687 -35.181 11.9938 TIMING: 546800 CPU: 1721.65, 0.00315828/step Wall: 1721.65, 0.00315828/step, 3.9068 hours remaining, 235.453125 MB of memory in use. ENERGY: 546800 4044.6248 20255.1209 14508.1815 256.3801 -203691.5700 2707.8868 0.0000 0.0000 51953.3993 -109965.9767 298.5769 -161919.3760 -109599.2354 297.5401 -53.1449 -20.6687 760297.1957 -0.6423 -0.6578 PRESSURE: 547000 65.496 127.781 -71.9188 127.781 227.038 -113.923 -71.9184 -113.923 -154.579 GPRESSURE: 547000 111.807 40.9142 43.5568 -57.777 224.172 -86.6037 -11.8947 -35.0375 -113.176 PRESSAVG: 547000 -18.5145 9.57574 -29.7404 9.57571 9.35901 -51.7993 -29.7403 -51.7993 -1.23487 GPRESSAVG: 547000 -19.0448 7.87716 -28.7899 10.3123 10.2693 -53.6331 -28.852 -48.8101 -1.57252 TIMING: 547000 CPU: 1722.29, 0.0031651/step Wall: 1722.29, 0.0031651/step, 3.91506 hours remaining, 235.453125 MB of memory in use. ENERGY: 547000 4022.3615 20497.1252 14399.3797 240.3952 -203906.0570 2886.2289 0.0000 0.0000 51991.1083 -109869.4583 298.7936 -161860.5666 -109507.2238 298.2380 45.9848 74.2678 760227.1543 -3.4635 -3.4493 PRESSURE: 547200 104.544 -1.62438 123.886 -1.62359 116.38 53.3782 123.887 53.3775 255.729 GPRESSURE: 547200 107.941 -68.1046 -3.45124 -119.733 171.176 43.4436 265.199 19.3076 265.266 PRESSAVG: 547200 49.4382 -38.1699 19.5479 -38.1699 -17.8642 29.1814 19.5479 29.1813 -0.272531 GPRESSAVG: 547200 49.936 -35.7635 19.2161 -41.3711 -18.9377 30.4679 19.1456 27.9895 1.13964 TIMING: 547200 CPU: 1722.92, 0.00317973/step Wall: 1722.92, 0.00317973/step, 3.93297 hours remaining, 235.453125 MB of memory in use. ENERGY: 547200 4010.3318 20415.4898 14559.6452 241.2972 -204185.8273 3024.6004 0.0000 0.0000 51954.6047 -109979.8582 298.5838 -161934.4629 -109613.6522 298.2918 158.8844 181.4610 758880.7051 10.4338 10.7126 PRESSURE: 547400 83.2358 -145.868 -137.913 -145.869 -562.607 38.1019 -137.913 38.1013 -315.855 GPRESSURE: 547400 1.70782 -27.7852 -165.452 -164.075 -411.067 53.9769 81.5821 -17.5471 -296.366 PRESSAVG: 547400 -12.5758 -2.07334 -11.941 -2.07337 -4.40554 37.9807 -11.941 37.9807 19.5742 GPRESSAVG: 547400 -12.9543 -2.2192 -10.8513 0.627148 -2.664 38.6114 -11.9059 38.0069 18.0097 TIMING: 547400 CPU: 1723.56, 0.00317096/step Wall: 1723.56, 0.00317096/step, 3.92195 hours remaining, 235.453125 MB of memory in use. ENERGY: 547400 4001.0246 20338.9517 14487.0097 240.7991 -203067.9207 2445.6879 0.0000 0.0000 51764.2696 -109790.1780 297.4900 -161554.4476 -109427.3277 298.4022 -265.0754 -235.2419 761137.2298 0.8643 0.7971 PRESSURE: 547600 -132.152 103.059 -64.8814 103.058 -31.2707 28.4179 -64.8813 28.4192 225.13 GPRESSURE: 547600 -47.3691 98.1676 -150.778 107.849 -31.6179 72.2062 -28.216 6.18113 225.926 PRESSAVG: 547600 0.827191 0.82305 -23.7875 0.823023 14.8878 -9.29136 -23.7875 -9.29135 -19.1846 GPRESSAVG: 547600 1.64763 1.06168 -25.3442 -0.0977678 13.4558 -9.05804 -23.9171 -11.0844 -18.9023 TIMING: 547600 CPU: 1724.19, 0.00316869/step Wall: 1724.19, 0.00316869/step, 3.91897 hours remaining, 235.453125 MB of memory in use. ENERGY: 547600 4031.3085 20526.7949 14450.4624 255.7275 -203505.6202 2661.8734 0.0000 0.0000 51849.7957 -109729.6577 297.9815 -161579.4535 -109370.1255 298.2664 20.5691 48.9797 760390.0495 -1.1565 -1.2663 PRESSURE: 547800 -339.532 93.598 -130.883 93.5982 -104.057 7.90406 -130.882 7.90425 -210.401 GPRESSURE: 547800 -268.447 88.685 -41.1242 -8.8436 -105.948 29.8935 -182.712 115.781 -211.642 PRESSAVG: 547800 -14.9795 -8.31435 -17.7942 -8.3144 -3.67532 -25.563 -17.7942 -25.5629 -3.80424 GPRESSAVG: 547800 -15.8234 -8.04887 -17.2532 -8.29463 -3.67936 -26.5128 -19.0428 -24.1686 -3.00745 TIMING: 547800 CPU: 1724.83, 0.00317541/step Wall: 1724.83, 0.00317541/step, 3.9271 hours remaining, 235.453125 MB of memory in use. ENERGY: 547800 3930.5209 20521.9025 14449.8845 257.7193 -203748.6295 2732.8989 0.0000 0.0000 52163.0911 -109692.6124 299.7820 -161855.7035 -109325.9620 298.0836 -217.9969 -195.3455 761386.5564 -7.4863 -7.5034 PRESSURE: 548000 -355.288 85.847 -4.02488 85.8469 -138.101 -41.0593 -4.0249 -41.0588 -154.559 GPRESSURE: 548000 -308.467 78.8988 19.4241 53.3979 -140.022 -17.5353 -17.09 41.3527 -113.081 PRESSAVG: 548000 -10.0637 0.00342476 14.6896 0.00340538 -14.9925 -2.32069 14.6896 -2.32066 -10.2438 GPRESSAVG: 548000 -9.38116 0.509569 14.5986 -0.905469 -14.7476 -2.23927 17.06 -1.61843 -10.8506 TIMING: 548000 CPU: 1725.46, 0.003146/step Wall: 1725.46, 0.003146/step, 3.89056 hours remaining, 235.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 3934.0216 20469.7468 14534.7021 250.6590 -203445.6405 2596.1258 0.0000 0.0000 51974.8728 -109685.5123 298.7003 -161660.3851 -109320.6152 298.5090 -215.9826 -187.1899 763131.1504 -11.7667 -11.6598 PRESSURE: 548200 -208.87 -150.101 107.669 -150.102 -103.706 52.8753 107.67 52.8747 -441.542 GPRESSURE: 548200 -251.96 -64.0714 114.578 -120.519 -13.4111 75.5903 76.4776 91.7618 -396.441 PRESSAVG: 548200 -55.5328 61.634 16.9571 61.6341 49.3478 16.0624 16.9572 16.0625 -18.005 GPRESSAVG: 548200 -55.0737 60.846 15.6576 63.4338 49.6383 15.913 16.6552 14.4514 -18.3002 TIMING: 548200 CPU: 1726.09, 0.00314945/step Wall: 1726.09, 0.00314945/step, 3.89464 hours remaining, 235.453125 MB of memory in use. ENERGY: 548200 3979.6578 20671.0220 14430.3744 228.1434 -203451.3690 2682.0469 0.0000 0.0000 51704.1675 -109755.9569 297.1446 -161460.1244 -109406.1419 298.4036 -251.3730 -220.6042 761836.7833 -8.0633 -7.9119 LDB: ============= START OF LOAD BALANCING ============== 1738.54 LDB: ============== END OF LOAD BALANCING =============== 1738.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1738.54 LDB: ============= START OF LOAD BALANCING ============== 1738.85 LDB: Largest compute 7076 load 0.033465 is 17.2% of average load 0.195026 LDB: Average compute 0.004396 is 2.3% of average load 0.195026 LDB: TIME 1738.86 LOAD: AVG 0.195026 MAX 0.213063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.301 MB LDB: TIME 1738.86 LOAD: AVG 0.195026 MAX 0.213063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.371 MB LDB: TIME 1738.86 LOAD: AVG 0.195026 MAX 0.213063 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.371 MB LDB: ============== END OF LOAD BALANCING =============== 1738.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1738.87 PRESSURE: 548400 -69.7284 117.637 42.5154 117.637 207.005 9.83383 42.515 9.834 32.2455 GPRESSURE: 548400 36.5457 121.42 26.0343 112.649 316.028 15.2216 249.086 26.8681 -85.4801 PRESSAVG: 548400 -28.579 -37.4765 -41.9142 -37.4765 22.3991 -27.162 -41.9142 -27.162 21.2863 GPRESSAVG: 548400 -28.1425 -37.8969 -41.1623 -38.1036 22.3024 -27.6516 -41.6439 -26.2438 21.8616 TIMING: 548400 CPU: 1726.73, 0.00322252/step Wall: 1726.73, 0.00322252/step, 3.98483 hours remaining, 235.046875 MB of memory in use. ENERGY: 548400 3943.0778 20277.1092 14440.5303 267.7901 -203408.9736 2716.5498 0.0000 0.0000 52173.7333 -109590.1833 299.8432 -161763.9165 -109217.7142 298.6457 56.5074 89.0312 762236.0439 5.0355 5.3405 PRESSURE: 548600 -39.0118 -81.4563 189.007 -81.4553 -340.386 -54.9087 189.007 -54.9074 -220.536 GPRESSURE: 548600 -30.0328 -69.2398 201.697 -47.7641 -343.644 -59.7435 142.334 -60.9619 -151.768 PRESSAVG: 548600 11.691 -63.6764 -6.98826 -63.6764 -9.96732 1.23141 -6.98822 1.23136 -1.94881 GPRESSAVG: 548600 11.0704 -62.7792 -6.94597 -64.8296 -9.74867 0.876228 -8.92943 3.09389 -1.90228 TIMING: 548600 CPU: 1727.36, 0.00312986/step Wall: 1727.36, 0.00312986/step, 3.87007 hours remaining, 235.250000 MB of memory in use. ENERGY: 548600 3971.0349 20553.5691 14447.1546 227.9649 -203585.5633 2540.1609 0.0000 0.0000 52220.0541 -109625.6248 300.1094 -161845.6789 -109247.4517 298.5940 -199.9777 -175.1482 764419.5825 -0.0750 -0.1935 PRESSURE: 548800 -282.521 -88.3592 43.0304 -88.3591 -52.6678 -40.6453 43.0305 -40.6455 -153.93 GPRESSURE: 548800 -222.534 -110.958 82.9406 -148.634 -81.9874 -3.02401 43.3759 -40.479 -106.02 PRESSAVG: 548800 45.593 -27.526 20.3042 -27.526 -47.3535 -69.3261 20.3043 -69.326 2.92068 GPRESSAVG: 548800 46.9824 -26.3225 20.1447 -27.1056 -48.46 -68.8103 21.269 -70.7724 2.61059 TIMING: 548800 CPU: 1727.99, 0.00316417/step Wall: 1727.99, 0.00316417/step, 3.91232 hours remaining, 235.250000 MB of memory in use. ENERGY: 548800 3990.8407 20537.8220 14464.7043 260.4806 -203777.4174 2893.3370 0.0000 0.0000 52096.1197 -109534.1132 299.3971 -161630.2329 -109173.2501 299.0477 -163.0399 -136.8471 762383.2318 0.3867 0.3777 PRESSURE: 549000 145.775 173.415 44.9649 173.416 -136.411 -90.936 44.9654 -90.9358 189.668 GPRESSURE: 549000 147.848 113.134 -29.0532 123.248 -57.6389 -73.2945 88.4905 -26.1595 167.352 PRESSAVG: 549000 8.37869 -26.0462 21.1659 -26.0462 -33.3371 -43.3866 21.166 -43.3866 -19.346 GPRESSAVG: 549000 7.12303 -26.2202 21.2144 -26.8957 -31.9401 -43.7452 22.0343 -43.2264 -19.2796 TIMING: 549000 CPU: 1728.62, 0.00315424/step Wall: 1728.62, 0.00315424/step, 3.89987 hours remaining, 235.250000 MB of memory in use. ENERGY: 549000 3968.2502 20571.1336 14497.7283 241.7291 -203772.6158 2761.5014 0.0000 0.0000 51948.6408 -109783.6322 298.5496 -161732.2731 -109418.8165 298.6818 66.3442 85.8537 760615.8510 -14.7681 -14.6989 PRESSURE: 549200 -21.4082 -0.774812 -110.565 -0.776103 -187.87 -79.0202 -110.564 -79.0203 194.491 GPRESSURE: 549200 40.2329 -14.19 -140.991 -139.541 -229.85 -25.761 23.6684 -205.452 277.86 PRESSAVG: 549200 5.95164 34.6046 17.402 34.6046 -33.6706 -82.1727 17.402 -82.1727 1.17517 GPRESSAVG: 549200 5.98337 35.0118 17.849 33.9975 -33.9334 -80.3502 16.398 -83.3848 1.76536 TIMING: 549200 CPU: 1729.25, 0.0031581/step Wall: 1729.25, 0.0031581/step, 3.90446 hours remaining, 235.250000 MB of memory in use. ENERGY: 549200 4024.9983 20411.7039 14468.4711 236.1976 -203608.0546 2683.8119 0.0000 0.0000 51870.5098 -109912.3619 298.1005 -161782.8717 -109556.7890 298.3375 -4.9289 29.4144 762278.0966 -8.8479 -8.7282 PRESSURE: 549400 -442.744 -66.5408 6.71602 -66.5408 -232.278 -91.9866 6.71678 -91.9865 158.759 GPRESSURE: 549400 -295.04 -152.028 125.815 -121.378 -284.673 -51.3288 65.2777 -156.397 152.753 PRESSAVG: 549400 61.6581 -12.5075 34.178 -12.5075 -68.5585 -35.5423 34.1779 -35.5423 10.1734 GPRESSAVG: 549400 61.2309 -13.961 35.598 -12.5404 -68.6245 -35.4919 34.1468 -36.2624 10.1312 TIMING: 549400 CPU: 1729.88, 0.00316784/step Wall: 1729.88, 0.00316784/step, 3.91632 hours remaining, 235.250000 MB of memory in use. ENERGY: 549400 3966.9879 20568.8835 14453.5120 227.8350 -203603.3825 2686.3063 0.0000 0.0000 51898.5440 -109801.3138 298.2616 -161699.8578 -109446.5178 298.0096 -172.0874 -142.3201 760569.3688 1.0910 0.9125 PRESSURE: 549600 -212.433 37.5471 92.7385 37.548 145.022 -83.1924 92.7379 -83.1935 318.626 GPRESSURE: 549600 -174.885 63.4546 90.0343 -31.8117 161.928 -70.2753 76.849 -97.2347 358.283 PRESSAVG: 549600 -24.3108 -50.6983 23.506 -50.6983 -8.6232 -23.8171 23.506 -23.8172 -20.5161 GPRESSAVG: 549600 -23.847 -50.4608 21.945 -49.71 -9.56796 -25.3569 23.1957 -25.1046 -20.1662 TIMING: 549600 CPU: 1730.52, 0.00316144/step Wall: 1730.52, 0.00316144/step, 3.90824 hours remaining, 235.250000 MB of memory in use. ENERGY: 549600 3968.9993 20493.8378 14488.0499 253.6484 -203269.1141 2601.1405 0.0000 0.0000 51878.6561 -109584.7820 298.1473 -161463.4381 -109232.1042 298.7500 83.7383 115.1086 762185.9915 -17.8167 -17.8604 PRESSURE: 549800 18.5748 223.856 125.466 223.856 198.329 -2.07791 125.467 -2.07892 127.614 GPRESSURE: 549800 122.798 88.2712 62.7118 106.631 210.883 -66.4236 122.998 79.8249 96.7769 PRESSAVG: 549800 14.805 -48.7137 13.803 -48.7137 45.8507 -43.2012 13.803 -43.2014 -5.64176 GPRESSAVG: 549800 14.4537 -50.8511 14.3425 -47.2872 46.1278 -39.439 14.1221 -42.1678 -5.20767 TIMING: 549800 CPU: 1731.15, 0.00315225/step Wall: 1731.15, 0.00315225/step, 3.89671 hours remaining, 235.250000 MB of memory in use. ENERGY: 549800 4029.4048 20496.5920 14455.8093 262.7566 -203607.1207 2717.4795 0.0000 0.0000 51999.5030 -109645.5755 298.8419 -161645.0785 -109281.9690 298.7067 114.8392 143.4858 759163.9820 18.3380 18.4579 PRESSURE: 550000 -191.044 -2.60258 78.8265 -2.60258 -18.9554 23.613 78.8266 23.6132 -142.675 GPRESSURE: 550000 -123.854 31.9191 69.4784 19.4713 -48.7596 41.6266 102.02 58.238 -108.586 PRESSAVG: 550000 21.2041 -74.2447 32.0641 -74.2446 -13.4754 -5.1651 32.0641 -5.16512 -7.527 GPRESSAVG: 550000 21.1691 -70.8941 32.6274 -76.7108 -12.3026 -6.77827 30.6479 -3.60024 -8.43127 TIMING: 550000 CPU: 1731.78, 0.00316824/step Wall: 1731.78, 0.00316824/step, 3.9163 hours remaining, 235.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 550000 3946.2521 20533.1396 14484.8268 260.5565 -203097.5265 2481.1869 0.0000 0.0000 52013.9966 -109377.5680 298.9252 -161391.5646 -109013.2875 298.7461 -117.5581 -93.7330 761713.8223 0.0672 0.1451 PRESSURE: 550200 86.8391 160.349 94.6809 160.349 -90.8814 -162.54 94.6814 -162.541 -19.3438 GPRESSURE: 550200 129.421 233.815 148.427 47.5545 -27.9662 -174.822 73.7252 -119.662 -42.0005 PRESSAVG: 550200 -54.7931 13.4893 51.6472 13.4892 30.2192 -50.9231 51.6472 -50.9232 22.628 GPRESSAVG: 550200 -54.4586 11.7294 51.0557 14.6271 29.9173 -51.9997 53.4515 -50.2821 22.5028 TIMING: 550200 CPU: 1732.42, 0.00317907/step Wall: 1732.42, 0.00317907/step, 3.92951 hours remaining, 235.250000 MB of memory in use. ENERGY: 550200 3953.6132 20570.2183 14576.7853 250.2337 -203290.9466 2587.8350 0.0000 0.0000 51893.3053 -109458.9559 298.2315 -161352.2612 -109094.5314 298.6342 -7.7954 19.8182 760995.0212 -0.6486 -0.6795 PRESSURE: 550400 0.42004 -189.936 65.9314 -189.935 163.025 58.3723 65.9308 58.3712 12.5794 GPRESSURE: 550400 12.6436 -248.354 73.3499 -107.183 226.635 3.62336 89.8244 133.798 14.5268 PRESSAVG: 550400 -18.7663 39.947 -23.4769 39.9469 7.42895 -5.47262 -23.4769 -5.47262 3.84045 GPRESSAVG: 550400 -18.3833 39.7954 -25.0548 39.71 6.61741 -6.10307 -22.6623 -6.85284 4.47268 TIMING: 550400 CPU: 1733.05, 0.00315291/step Wall: 1733.05, 0.00315291/step, 3.89699 hours remaining, 235.250000 MB of memory in use. ENERGY: 550400 3966.7087 20617.9398 14531.2789 263.5356 -203431.9448 2613.3411 0.0000 0.0000 51878.3613 -109560.7793 298.1457 -161439.1406 -109207.3083 298.9143 58.6746 84.6018 760048.1522 -2.4990 -2.4311 PRESSURE: 550600 68.8096 -26.1315 174.384 -26.1312 230.53 157.763 174.385 157.763 -176.135 GPRESSURE: 550600 89.4316 38.7089 200.285 53.2717 226.92 128.751 137.473 104.826 -112.82 PRESSAVG: 550600 2.71202 8.18059 30.6882 8.18058 17.7083 29.6279 30.6882 29.6279 2.08706 GPRESSAVG: 550600 1.40553 9.21947 33.0083 6.09359 18.5811 29.4455 29.9251 32.4937 2.59658 TIMING: 550600 CPU: 1733.68, 0.00317155/step Wall: 1733.68, 0.00317155/step, 3.91986 hours remaining, 235.250000 MB of memory in use. ENERGY: 550600 3918.1552 20444.0201 14500.6066 260.4419 -203339.0256 2599.7706 0.0000 0.0000 51886.5421 -109729.4891 298.1927 -161616.0312 -109367.2409 298.4049 41.0681 67.8438 761170.2185 7.5025 7.5277 PRESSURE: 550800 250.763 -119.147 43.1993 -119.146 22.7295 -101.032 43.1984 -101.031 161.132 GPRESSURE: 550800 292.66 -68.9665 -4.66111 -126.84 37.5951 -16.0392 27.4025 -21.2751 204.051 PRESSAVG: 550800 -29.9995 -18.5953 16.1261 -18.5953 37.2361 11.9698 16.1261 11.9699 -9.59245 GPRESSAVG: 550800 -27.7595 -20.612 15.9955 -16.6929 35.5535 11.021 15.806 12.851 -10.3204 TIMING: 550800 CPU: 1734.31, 0.00314784/step Wall: 1734.31, 0.00314784/step, 3.89038 hours remaining, 235.250000 MB of memory in use. ENERGY: 550800 4028.0408 20680.5159 14477.3470 235.9043 -204116.3303 3012.5145 0.0000 0.0000 52272.7187 -109409.2891 300.4120 -161682.0078 -109045.1722 298.4932 144.8750 178.1018 760614.9290 -0.7853 -0.8421 PRESSURE: 551000 -142.344 -197.862 12.9633 -197.862 -194.404 -141.412 12.9634 -141.413 -250.239 GPRESSURE: 551000 -110.304 -240.897 40.1808 -209.077 -201.499 -36.4026 36.4541 -202.747 -176.69 PRESSAVG: 551000 9.94345 -20.9004 -60.3026 -20.9004 12.4641 -48.1468 -60.3026 -48.1468 -16.1418 GPRESSAVG: 551000 8.85572 -19.3828 -61.6152 -21.4187 13.9292 -45.9505 -58.9399 -51.5109 -16.485 TIMING: 551000 CPU: 1734.94, 0.00314846/step Wall: 1734.94, 0.00314846/step, 3.89097 hours remaining, 235.250000 MB of memory in use. ENERGY: 551000 4004.1148 20438.3587 14511.4778 253.1039 -203080.4870 2311.4824 0.0000 0.0000 52045.8606 -109516.0888 299.1083 -161561.9494 -109162.0407 298.9268 -195.6625 -162.8311 763570.7686 2.0886 2.1000 PRESSURE: 551200 87.9114 121.945 26.2692 121.947 -335.713 161.972 26.2689 161.972 392.3 GPRESSURE: 551200 83.4973 156.594 60.8017 69.1507 -261.439 186.851 9.08201 182.877 396.983 PRESSAVG: 551200 -45.6764 -15.8185 -35.3172 -15.8186 27.1524 -3.96007 -35.3172 -3.96014 14.1284 GPRESSAVG: 551200 -46.4748 -14.881 -35.5907 -16.0889 26.3762 -4.47821 -36.1989 -4.27456 15.8802 TIMING: 551200 CPU: 1735.57, 0.0031396/step Wall: 1735.57, 0.0031396/step, 3.87985 hours remaining, 235.250000 MB of memory in use. ENERGY: 551200 4027.6349 20519.5184 14548.7908 250.2218 -203709.0551 2892.3421 0.0000 0.0000 52151.0742 -109319.4728 299.7129 -161470.5470 -108958.6677 299.0480 48.1661 73.0139 760880.5239 -1.4652 -1.4062 PRESSURE: 551400 -78.2279 92.349 -114.243 92.3488 -41.1091 -21.4271 -114.244 -21.4275 -25.6068 GPRESSURE: 551400 10.5197 172.957 -83.8284 189.388 -65.8542 -76.7462 -184.18 29.0713 7.64801 PRESSAVG: 551400 -42.9603 -11.7304 -5.10855 -11.7304 56.4601 -19.6873 -5.10855 -19.6873 2.06588 GPRESSAVG: 551400 -41.2479 -12.9388 -4.9967 -10.5511 56.9046 -19.6831 -5.22547 -18.8288 0.186042 TIMING: 551400 CPU: 1736.2, 0.00315938/step Wall: 1736.2, 0.00315938/step, 3.90412 hours remaining, 235.250000 MB of memory in use. ENERGY: 551400 3933.1752 20323.8153 14503.7131 241.0565 -202990.3826 2440.4135 0.0000 0.0000 52023.6727 -109524.5363 298.9808 -161548.2090 -109163.3850 299.0637 -48.3146 -15.8955 762919.2129 5.1886 5.2809 PRESSURE: 551600 44.4878 -85.3853 251.578 -85.3851 226.778 -230.946 251.578 -230.945 -1.16431 GPRESSURE: 551600 54.3567 -113.121 117.323 -51.7081 251.423 -128.691 125.475 -296.243 68.6342 PRESSAVG: 551600 -23.9792 7.28825 -18.7635 7.28831 30.2209 -41.8998 -18.7636 -41.8998 3.52649 GPRESSAVG: 551600 -24.7371 7.69018 -19.7979 6.81572 31.5425 -40.7316 -18.003 -40.6869 3.05492 TIMING: 551600 CPU: 1736.83, 0.00315481/step Wall: 1736.83, 0.00315481/step, 3.8983 hours remaining, 235.250000 MB of memory in use. ENERGY: 551600 3925.2295 20346.1155 14541.7610 245.5086 -203598.9371 2761.5973 0.0000 0.0000 52187.2808 -109591.4444 299.9210 -161778.7252 -109219.4580 298.7269 90.0337 124.8047 761870.0573 3.2561 3.2868 PRESSURE: 551800 -540.889 -120.604 -26.1887 -120.604 -304.652 184.997 -26.1891 184.997 -25.839 GPRESSURE: 551800 -487.117 -200.961 -77.8246 -177.792 -299.219 150.701 -142.569 15.4111 -15.4516 PRESSAVG: 551800 -82.1943 -31.0689 18.7148 -31.0689 79.1221 -34.6942 18.7148 -34.6941 1.54934 GPRESSAVG: 551800 -83.1616 -30.5403 21.1155 -30.7195 78.6626 -34.7678 17.5806 -37.6472 2.90816 TIMING: 551800 CPU: 1737.46, 0.00315676/step Wall: 1737.46, 0.00315676/step, 3.90053 hours remaining, 235.250000 MB of memory in use. ENERGY: 551800 3966.8674 20469.0837 14507.7623 262.4782 -202941.8143 2208.5085 0.0000 0.0000 51820.4949 -109706.6192 297.8131 -161527.1141 -109348.4689 298.6931 -290.4598 -267.2625 761627.9404 -0.5076 -0.5303 PRESSURE: 552000 28.7152 -65.0693 -80.1503 -65.0697 275.611 -102.983 -80.149 -102.983 58.0351 GPRESSURE: 552000 48.523 51.282 -85.7655 -122.877 350.347 -128.318 -159.517 -64.7415 63.6463 PRESSAVG: 552000 -82.0464 -24.1642 13.5118 -24.1642 70.4895 -62.2699 13.5119 -62.2699 -16.295 GPRESSAVG: 552000 -81.2391 -24.9126 12.9087 -24.6983 70.59 -63.1088 14.4697 -60.4064 -16.5704 TIMING: 552000 CPU: 1738.09, 0.00313783/step Wall: 1738.09, 0.00313783/step, 3.87697 hours remaining, 235.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 552000 3950.6051 20356.1979 14506.6790 241.2700 -203250.0300 2652.1005 0.0000 0.0000 51873.9717 -109669.2057 298.1204 -161543.1774 -109311.1538 298.4065 120.7872 154.1719 760410.4759 -9.2840 -9.0732 PRESSURE: 552200 -93.656 -67.4499 29.5643 -67.4495 -13.9939 169.307 29.5651 169.307 -470.876 GPRESSURE: 552200 -17.0174 -154.259 51.5798 -93.6726 68.8709 223.595 103.711 143.231 -549.461 PRESSAVG: 552200 -53.543 -49.3731 -75.1221 -49.3732 48.8999 -21.426 -75.1221 -21.426 29.5017 GPRESSAVG: 552200 -54.049 -48.4186 -75.3298 -50.0625 49.7978 -20.6206 -75.271 -20.9992 28.8114 TIMING: 552200 CPU: 1738.72, 0.00315193/step Wall: 1738.72, 0.00315193/step, 3.89421 hours remaining, 235.250000 MB of memory in use. ENERGY: 552200 3984.2876 20213.3367 14552.8900 245.5640 -203535.0944 2521.1915 0.0000 0.0000 52092.1062 -109925.7185 299.3741 -162017.8247 -109569.3780 298.4425 -192.8421 -165.8691 762166.6344 8.2862 8.1867 LDB: ============= START OF LOAD BALANCING ============== 1751.17 LDB: ============== END OF LOAD BALANCING =============== 1751.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1751.18 LDB: ============= START OF LOAD BALANCING ============== 1751.49 LDB: Largest compute 7026 load 0.034303 is 17.6% of average load 0.195024 LDB: Average compute 0.004406 is 2.3% of average load 0.195024 LDB: TIME 1751.49 LOAD: AVG 0.195024 MAX 0.212572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.852 MB LDB: TIME 1751.49 LOAD: AVG 0.195024 MAX 0.212572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.059 MB LDB: TIME 1751.49 LOAD: AVG 0.195024 MAX 0.212572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.059 MB LDB: ============== END OF LOAD BALANCING =============== 1751.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1751.5 PRESSURE: 552400 79.2549 109.4 -108.001 109.4 -86.0118 -26.6441 -108.001 -26.6437 -146.253 GPRESSURE: 552400 88.9428 153.884 -157.017 171.287 -56.8337 -6.70978 -4.26618 -63.555 -114.836 PRESSAVG: 552400 8.00614 -28.4522 -49.1197 -28.4522 56.4039 10.525 -49.1196 10.525 -7.27805 GPRESSAVG: 552400 8.03274 -27.5504 -49.4318 -27.8303 55.253 10.5298 -48.721 9.5092 -6.67056 TIMING: 552400 CPU: 1739.37, 0.00322197/step Wall: 1739.37, 0.00322197/step, 3.98056 hours remaining, 235.851562 MB of memory in use. ENERGY: 552400 4023.7762 20404.8541 14543.7248 234.0059 -203309.9970 2583.3308 0.0000 0.0000 51875.8929 -109644.4123 298.1315 -161520.3052 -109279.1723 297.8753 -51.0031 -27.5757 761419.9336 19.0440 18.8717 PRESSURE: 552600 20.6211 159.649 24.7074 159.649 117.71 131.932 24.7078 131.932 738.16 GPRESSURE: 552600 26.3655 88.0349 -35.2027 78.4786 316.91 163.385 21.6613 78.7548 618.539 PRESSAVG: 552600 -15.6207 21.4546 -18.4431 21.4547 5.79275 -24.3159 -18.4432 -24.3159 -5.14345 GPRESSAVG: 552600 -15.4874 22.9696 -18.9788 18.824 6.74735 -23.5904 -18.8623 -24.5916 -6.11689 TIMING: 552600 CPU: 1740, 0.00314878/step Wall: 1740, 0.00314877/step, 3.88996 hours remaining, 235.917969 MB of memory in use. ENERGY: 552600 3974.1924 20563.1087 14551.5860 241.1470 -203417.1054 2818.7347 0.0000 0.0000 52044.0457 -109224.2909 299.0978 -161268.3366 -108861.2474 298.8414 292.1636 320.6047 763170.0880 -4.9905 -4.9523 PRESSURE: 552800 188.655 55.7862 147.503 55.7866 367.269 -39.2414 147.504 -39.2426 -57.0718 GPRESSURE: 552800 252.714 123.936 198.132 37.5289 424.085 -40.9221 65.642 13.6457 -96.4112 PRESSAVG: 552800 22.8637 4.24774 -29.8035 4.24764 10.4532 -30.9023 -29.8034 -30.9022 24.1352 GPRESSAVG: 552800 23.5653 2.9044 -28.1815 6.49594 10.0124 -33.4654 -31.029 -30.3578 24.6238 TIMING: 552800 CPU: 1740.63, 0.00315245/step Wall: 1740.63, 0.00315245/step, 3.89433 hours remaining, 235.917969 MB of memory in use. ENERGY: 552800 3945.1202 20615.0600 14498.7146 247.8977 -203450.0464 2701.0905 0.0000 0.0000 52370.3733 -109071.7902 300.9733 -161442.1635 -108711.3562 299.9639 166.2842 193.4624 760760.2967 19.1507 19.4005 PRESSURE: 553000 -150.503 78.0406 -188.978 78.0406 -140.253 -63.4811 -188.978 -63.4808 46.7473 GPRESSURE: 553000 -80.5883 -11.9709 -168.718 57.9049 -108.201 -63.7412 -159.98 -8.38988 50.1169 PRESSAVG: 553000 42.0188 -14.1607 -36.3809 -14.1607 -1.57644 -59.7858 -36.3808 -59.7858 -17.1726 GPRESSAVG: 553000 42.1652 -15.3 -34.8596 -14.615 -2.34427 -58.5653 -35.6503 -60.1664 -16.224 TIMING: 553000 CPU: 1741.25, 0.00313924/step Wall: 1741.25, 0.00313924/step, 3.87784 hours remaining, 235.917969 MB of memory in use. ENERGY: 553000 4067.8563 20627.8185 14573.6982 248.3197 -203480.1127 2740.8537 0.0000 0.0000 52062.0143 -109159.5520 299.2011 -161221.5663 -108795.9697 300.0116 -81.3362 -46.2240 762976.4628 7.7566 7.8657 PRESSURE: 553200 460.662 -188.072 -37.2807 -188.072 -180.799 -171.403 -37.2811 -171.403 -122.505 GPRESSURE: 553200 465.557 -112.41 -5.39986 -215.855 -97.5304 -136.224 -31.815 -96.2041 -126.455 PRESSAVG: 553200 41.7571 -30.2326 -21.4098 -30.2326 -59.8491 -3.95258 -21.4097 -3.95259 17.933 GPRESSAVG: 553200 40.7897 -28.5164 -22.419 -31.5201 -57.8165 -3.72446 -20.9321 -2.09899 17.0089 TIMING: 553200 CPU: 1741.88, 0.00313298/step Wall: 1741.88, 0.00313298/step, 3.86993 hours remaining, 235.917969 MB of memory in use. ENERGY: 553200 3959.9522 20544.7333 14490.6164 243.8683 -203567.6277 2795.4534 0.0000 0.0000 52148.2991 -109384.7050 299.6970 -161533.0041 -109015.1779 299.3543 52.4530 80.5240 761690.3729 -0.0530 -0.0060 PRESSURE: 553400 82.1631 -151.58 -91.3474 -151.58 -99.7725 -4.83509 -91.348 -4.83473 -691.122 GPRESSURE: 553400 97.183 -84.2462 -157.757 -100.503 -79.3028 -0.242928 -21.3839 75.1784 -624.468 PRESSAVG: 553400 24.4852 -43.4008 -33.1876 -43.4009 -17.8389 -12.349 -33.1875 -12.349 27.6784 GPRESSAVG: 553400 25.9996 -44.3416 -32.7703 -42.3176 -18.5095 -10.6679 -32.8892 -14.044 27.1052 TIMING: 553400 CPU: 1742.51, 0.00314433/step Wall: 1742.51, 0.00314433/step, 3.88377 hours remaining, 235.917969 MB of memory in use. ENERGY: 553400 3926.6253 20584.8273 14510.4749 233.3233 -203406.8140 2590.0428 0.0000 0.0000 52153.9193 -109407.6010 299.7293 -161561.5203 -109031.6745 299.5837 -236.2439 -202.1958 762132.3706 11.4416 11.5318 PRESSURE: 553600 -512.496 -213.627 -29.1022 -213.626 -255.505 -33.7966 -29.1026 -33.7978 -49.8518 GPRESSURE: 553600 -471.341 -190.795 -50.7293 -34.1444 -284.211 -9.06322 -29.0706 -229.442 35.259 PRESSAVG: 553600 -9.43454 -14.3239 -36.3593 -14.3239 87.033 -9.23452 -36.3593 -9.23459 -3.15021 GPRESSAVG: 553600 -10.0056 -13.3294 -38.6479 -14.2559 87.9846 -9.46065 -37.8861 -10.717 -3.38644 TIMING: 553600 CPU: 1743.14, 0.00314098/step Wall: 1743.14, 0.00314098/step, 3.87945 hours remaining, 235.917969 MB of memory in use. ENERGY: 553600 4006.2125 20546.0119 14577.8319 273.9487 -203303.0998 2480.7449 0.0000 0.0000 52003.4826 -109414.8674 298.8647 -161418.3499 -109069.3686 299.1066 -272.6178 -240.0979 763391.8321 24.8161 24.8642 PRESSURE: 553800 -112.658 165.353 2.01639 165.353 -65.305 176.536 2.01659 176.536 217.006 GPRESSURE: 553800 -69.6025 70.3855 -109.06 -38.6204 -52.1524 153.183 112.82 -12.8827 229.67 PRESSAVG: 553800 45.0579 -9.93257 17.4025 -9.93256 -19.5065 1.00747 17.4025 1.00742 8.46776 GPRESSAVG: 553800 44.6617 -9.75819 18.5341 -10.8947 -19.4016 0.41871 18.44 2.03075 8.82092 TIMING: 553800 CPU: 1743.77, 0.00315017/step Wall: 1743.77, 0.00315017/step, 3.89063 hours remaining, 235.917969 MB of memory in use. ENERGY: 553800 3968.5066 20542.6322 14480.2885 234.5591 -203542.9800 2437.9844 0.0000 0.0000 52225.1357 -109653.8735 300.1386 -161879.0092 -109279.2115 299.2361 13.0144 35.9717 760422.9519 11.3397 11.3603 PRESSURE: 554000 -193.884 -21.0904 -17.6643 -21.0903 -480.388 -68.5794 -17.6642 -68.5799 -249.992 GPRESSURE: 554000 -228.81 27.9947 -20.2275 -13.5621 -435.858 -68.6072 -56.9448 -9.25434 -182.086 PRESSAVG: 554000 45.8831 -37.3765 -67.8974 -37.3765 -2.21687 -36.6675 -67.8973 -36.6675 -3.8623 GPRESSAVG: 554000 46.8693 -39.4722 -66.0415 -35.6646 -3.24928 -37.8254 -71.2798 -35.1795 -3.76005 TIMING: 554000 CPU: 1744.4, 0.003173/step Wall: 1744.4, 0.003173/step, 3.91865 hours remaining, 235.917969 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: 554000 3940.7835 20387.4723 14556.8445 248.2928 -203196.7673 2285.7950 0.0000 0.0000 52025.1952 -109752.3841 298.9895 -161777.5792 -109381.0428 298.8814 -308.0876 -282.2516 762738.0893 13.2680 13.2866 PRESSURE: 554200 256.906 -104.012 43.7735 -104.012 347.891 6.31376 43.7731 6.31372 -111.831 GPRESSURE: 554200 347.939 -100.545 43.2991 -152.163 355.78 4.98368 -13.7814 -68.3496 -124.076 PRESSAVG: 554200 -10.9961 -26.4941 1.18051 -26.4941 -4.68395 -17.5959 1.18053 -17.5959 0.706759 GPRESSAVG: 554200 -11.3515 -26.3809 -0.338516 -26.8782 -3.52862 -16.5572 3.20388 -18.533 0.16564 TIMING: 554200 CPU: 1745.04, 0.0031847/step Wall: 1745.04, 0.0031847/step, 3.93293 hours remaining, 235.917969 MB of memory in use. ENERGY: 554200 3933.7322 20457.1077 14534.5250 252.8792 -203680.4470 2856.6061 0.0000 0.0000 51737.4840 -109908.1126 297.3360 -161645.5966 -109549.2967 297.6691 164.3219 193.2141 761418.3002 -4.9911 -4.9048 PRESSURE: 554400 33.7541 17.1372 -103.89 17.1367 173.618 -47.895 -103.891 -47.8943 152.777 GPRESSURE: 554400 145.381 -81.2414 -73.1536 -28.5707 151.545 -162.848 18.8033 -18.9063 158.543 PRESSAVG: 554400 -21.5616 -25.8268 -25.9459 -25.8268 -42.7326 -47.548 -25.9459 -47.548 11.564 GPRESSAVG: 554400 -20.6203 -25.531 -25.852 -25.3033 -44.4229 -46.9642 -25.0852 -45.9981 12.0244 TIMING: 554400 CPU: 1745.68, 0.00318138/step Wall: 1745.68, 0.00318138/step, 3.92865 hours remaining, 235.917969 MB of memory in use. ENERGY: 554400 3945.5534 20447.7694 14516.2534 235.0052 -203751.6668 2906.7291 0.0000 0.0000 52100.8954 -109599.4610 299.4246 -161700.3564 -109235.6164 298.3835 120.0496 151.8231 762388.6562 -17.5767 -17.6729 PRESSURE: 554600 -29.1319 72.945 -66.9828 72.944 272.182 -141.548 -66.9818 -141.547 101.244 GPRESSURE: 554600 109.697 82.5593 -121.973 33.4464 275.674 -185.066 -46.5606 6.68812 52.198 PRESSAVG: 554600 -15.4397 20.559 8.61154 20.5589 -7.32633 -25.4185 8.61149 -25.4185 15.4138 GPRESSAVG: 554600 -15.4273 21.0377 7.28017 20.5764 -6.52456 -25.0565 10.1068 -25.6129 15.2741 TIMING: 554600 CPU: 1746.3, 0.00314535/step Wall: 1746.3, 0.00314535/step, 3.88398 hours remaining, 235.917969 MB of memory in use. ENERGY: 554600 3966.3966 20566.6474 14525.6099 242.0520 -203886.7651 2674.0872 0.0000 0.0000 52150.8278 -109761.1442 299.7115 -161911.9720 -109395.9134 298.9352 114.7649 145.8563 760495.3178 -2.4508 -2.2259 PRESSURE: 554800 -101.641 -237.391 -189.202 -237.391 -99.6418 41.1541 -189.202 41.1526 73.3055 GPRESSURE: 554800 -23.8154 -249.349 -111.295 -179.428 -104.672 21.3601 -93.7509 -27.7356 86.0225 PRESSAVG: 554800 22.907 -26.2113 14.1769 -26.2113 -0.353999 -63.5277 14.1769 -63.5277 0.389235 GPRESSAVG: 554800 22.8137 -27.8598 15.2194 -26.8683 -0.852969 -64.1669 13.7418 -66.0735 1.23568 TIMING: 554800 CPU: 1746.94, 0.00315541/step Wall: 1746.94, 0.00315541/step, 3.89623 hours remaining, 235.917969 MB of memory in use. ENERGY: 554800 4025.0596 20598.4740 14499.3832 236.0528 -204068.3886 2814.7558 0.0000 0.0000 52014.3926 -109880.2706 298.9274 -161894.6632 -109519.0200 298.9135 -42.6590 -14.1549 760732.3115 7.6474 7.7321 PRESSURE: 555000 -23.5969 -10.5413 279.014 -10.541 -328.626 -103.877 279.014 -103.878 117.222 GPRESSURE: 555000 57.2207 56.402 278.905 -14.4147 -236.75 14.5706 206.851 -100.645 43.0454 PRESSAVG: 555000 3.98202 -2.57544 39.8566 -2.57545 37.8586 -25.4028 39.8566 -25.4028 -29.7548 GPRESSAVG: 555000 3.47267 -0.994634 40.8978 -3.27193 40.2667 -24.3712 39.2317 -23.8424 -31.5999 TIMING: 555000 CPU: 1747.57, 0.00314881/step Wall: 1747.57, 0.00314881/step, 3.8879 hours remaining, 235.917969 MB of memory in use. ENERGY: 555000 3968.5759 20458.6221 14519.3511 245.3671 -203886.9626 2901.1190 0.0000 0.0000 51783.8370 -110010.0904 297.6024 -161793.9273 -109659.0778 298.4681 -78.3338 -45.4946 760418.0275 4.0286 4.0465 PRESSURE: 555200 -12.5733 39.359 -191.2 39.3595 -101.775 10.8762 -191.201 10.8771 -149.132 GPRESSURE: 555200 -52.8301 18.4037 -227.543 19.4782 -88.1858 -43.2259 -114.018 20.6189 -58.3758 PRESSAVG: 555200 -3.22137 -9.86612 -19.5691 -9.86612 -23.0136 -32.5712 -19.5692 -32.5712 23.3972 GPRESSAVG: 555200 -2.70328 -10.1418 -20.5436 -8.22742 -24.5438 -33.5873 -18.416 -31.0645 24.3855 TIMING: 555200 CPU: 1748.19, 0.00314664/step Wall: 1748.19, 0.00314664/step, 3.88505 hours remaining, 235.917969 MB of memory in use. ENERGY: 555200 3966.3993 20417.5308 14559.1129 255.0731 -203568.5482 2509.5894 0.0000 0.0000 51758.1525 -110102.6902 297.4548 -161860.8427 -109745.4126 297.4974 -87.8269 -66.4639 762978.8903 -0.9459 -0.9539 PRESSURE: 555400 -1.85061 -215.628 -36.7466 -215.628 49.8056 48.8797 -36.7469 48.8797 131.557 GPRESSURE: 555400 -10.4802 -184.453 5.34201 -221.96 143.743 -30.034 40.8643 53.4341 115.885 PRESSAVG: 555400 -0.904253 -42.0774 -14.379 -42.0774 -28.5975 -34.0972 -14.3789 -34.0973 21.5213 GPRESSAVG: 555400 -2.5453 -41.8512 -13.9939 -43.185 -27.2572 -35.1953 -13.9762 -36.1189 21.966 TIMING: 555400 CPU: 1748.82, 0.00313147/step Wall: 1748.82, 0.00313147/step, 3.86614 hours remaining, 235.917969 MB of memory in use. ENERGY: 555400 4040.9490 20339.7027 14582.5536 257.1847 -204088.1349 2867.0515 0.0000 0.0000 51876.0341 -110124.6594 298.1323 -162000.6935 -109748.4052 297.5949 59.8372 83.0493 760146.3747 -2.6601 -2.6122 PRESSURE: 555600 145.879 -18.0122 -196.441 -18.0125 -84.6396 -142.81 -196.442 -142.81 492.712 GPRESSURE: 555600 27.4489 7.14565 -204.336 -19.2321 74.5122 -149.5 -162.581 -167.898 532.108 PRESSAVG: 555600 21.7402 -30.9609 -29.2563 -30.9608 -17.5606 -36.1887 -29.2563 -36.1886 -0.356933 GPRESSAVG: 555600 23.3552 -30.5411 -29.9236 -32.3626 -18.2268 -33.6957 -28.9853 -34.9285 -1.13504 TIMING: 555600 CPU: 1749.45, 0.003146/step Wall: 1749.45, 0.003146/step, 3.88391 hours remaining, 235.917969 MB of memory in use. ENERGY: 555600 4033.6580 20585.2041 14423.0412 255.2758 -204146.0515 3006.0125 0.0000 0.0000 51979.5925 -109863.2675 298.7274 -161842.8600 -109496.0104 297.2650 184.6505 211.3563 758982.3119 1.2742 1.3311 PRESSURE: 555800 -67.9323 -69.7211 -62.2134 -69.7203 -420.763 -50.8913 -62.2131 -50.8914 191.958 GPRESSURE: 555800 -9.75829 66.0983 3.024 -22.9842 -350.581 -17.025 101.613 11.5415 153.062 PRESSAVG: 555800 18.5238 -62.5293 -31.9446 -62.5292 -21.4638 -8.67308 -31.9446 -8.67309 -9.14297 GPRESSAVG: 555800 18.0903 -61.5731 -30.9886 -60.4695 -21.1279 -7.85191 -34.4181 -9.84072 -8.93103 TIMING: 555800 CPU: 1750.08, 0.00314554/step Wall: 1750.08, 0.00314554/step, 3.88317 hours remaining, 235.917969 MB of memory in use. ENERGY: 555800 3987.7767 20463.9428 14516.8657 233.4506 -203653.9241 2637.7221 0.0000 0.0000 51996.6291 -109817.5372 298.8253 -161814.1663 -109443.8115 298.9067 -98.9127 -69.0922 761769.3797 -4.0277 -3.9895 PRESSURE: 556000 -106.53 96.109 -74.2908 96.1086 16.1297 -118.317 -74.2913 -118.317 306.231 GPRESSURE: 556000 -124.799 121.702 -68.1172 57.8712 112.912 -148.419 14.722 -157.583 312.35 PRESSAVG: 556000 16.2032 -22.2254 0.491899 -22.2254 -22.7824 11.7672 0.49183 11.7672 -18.7631 GPRESSAVG: 556000 16.3769 -21.7214 1.5287 -22.2599 -23.8163 10.5967 1.86442 11.2575 -17.9706 TIMING: 556000 CPU: 1750.71, 0.00312966/step Wall: 1750.71, 0.00312966/step, 3.86339 hours remaining, 235.917969 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: 556000 3995.6868 20612.7898 14513.2241 238.2191 -203605.3590 2768.4399 0.0000 0.0000 51729.4239 -109747.5755 297.2897 -161476.9994 -109383.2782 298.5804 71.9436 100.1543 762314.5429 -8.4474 -8.4700 PRESSURE: 556200 -104.44 -47.0565 -14.6269 -47.056 -178.807 -118.459 -14.627 -118.46 128.13 GPRESSURE: 556200 -119.303 -102.108 -72.1471 -118.24 -114.213 -172.644 -219.827 -141.047 175.446 PRESSAVG: 556200 -6.27692 6.78053 -13.1943 6.7805 11.8394 15.4353 -13.1942 15.4352 18.2904 GPRESSAVG: 556200 -6.09693 5.35645 -14.4007 7.27698 10.9694 16.8343 -15.2927 13.7533 18.9471 TIMING: 556200 CPU: 1751.33, 0.00311416/step Wall: 1751.33, 0.00311416/step, 3.84409 hours remaining, 235.917969 MB of memory in use. ENERGY: 556200 3985.4666 20556.9348 14473.8031 259.3132 -203611.9856 2774.2879 0.0000 0.0000 51778.3667 -109783.8134 297.5710 -161562.1801 -109422.4962 298.2803 -51.7055 -19.3571 762861.8694 7.9510 7.9399 LDB: ============= START OF LOAD BALANCING ============== 1763.78 LDB: ============== END OF LOAD BALANCING =============== 1763.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1763.78 LDB: ============= START OF LOAD BALANCING ============== 1764.09 LDB: Largest compute 7026 load 0.034278 is 17.6% of average load 0.194913 LDB: Average compute 0.004402 is 2.3% of average load 0.194913 LDB: TIME 1764.09 LOAD: AVG 0.194913 MAX 0.213113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.23 MB LDB: TIME 1764.1 LOAD: AVG 0.194913 MAX 0.213113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.434 MB LDB: TIME 1764.1 LOAD: AVG 0.194913 MAX 0.213113 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.434 MB LDB: ============== END OF LOAD BALANCING =============== 1764.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1764.1 PRESSURE: 556400 -334.533 20.813 -89.9554 20.8131 -212.709 193.811 -89.9556 193.81 -137.931 GPRESSURE: 556400 -286.685 91.0045 -91.5721 23.7436 -156.448 173.305 -78.4206 227.942 -147.046 PRESSAVG: 556400 84.4459 14.4707 -61.5091 14.4707 -65.9046 1.43968 -61.5091 1.43959 23.2068 GPRESSAVG: 556400 84.1517 14.8023 -63.1776 14.491 -65.2442 -1.0159 -59.849 4.12441 23.3139 TIMING: 556400 CPU: 1751.97, 0.00319329/step Wall: 1751.97, 0.00319329/step, 3.94158 hours remaining, 235.402344 MB of memory in use. ENERGY: 556400 4030.6005 20499.7956 14484.9413 252.8033 -203455.7311 2504.5665 0.0000 0.0000 52006.8658 -109676.1580 298.8842 -161683.0239 -109305.2643 298.4300 -228.3912 -196.7263 761170.3860 13.9160 14.0738 PRESSURE: 556600 211.449 96.6765 -277.594 96.6775 483.903 33.4323 -277.595 33.4329 -197.061 GPRESSURE: 556600 214.716 158.864 -263.448 113.09 550.974 122.039 -142.868 -180.18 -185.693 PRESSAVG: 556600 22.1542 34.6611 -27.8332 34.6612 -11.355 14.0423 -27.8332 14.0423 -34.6328 GPRESSAVG: 556600 22.2259 33.5296 -26.183 34.0422 -11.1683 16.8553 -27.2504 14.3276 -34.8885 TIMING: 556600 CPU: 1752.59, 0.0031241/step Wall: 1752.59, 0.0031241/step, 3.856 hours remaining, 235.402344 MB of memory in use. ENERGY: 556600 4012.3349 20603.5889 14515.9860 232.6557 -203595.0587 2872.8172 0.0000 0.0000 51763.3517 -109594.3243 297.4847 -161357.6760 -109243.8851 298.4619 166.0970 193.3322 761569.7943 -7.9446 -7.9436 PRESSURE: 556800 147.077 146.497 10.1605 146.497 -60.9439 259.149 10.16 259.149 85.8228 GPRESSURE: 556800 225.078 112.509 73.4629 114.92 -27.8007 278.994 -110.401 167.821 59.0661 PRESSAVG: 556800 13.7914 19.3956 -2.3947 19.3956 -15.9505 -33.0842 -2.39475 -33.0841 20.3819 GPRESSAVG: 556800 14.8236 18.7614 -1.80351 19.4946 -16.7294 -34.0181 -2.36211 -33.4029 19.8774 TIMING: 556800 CPU: 1753.21, 0.00311742/step Wall: 1753.21, 0.00311742/step, 3.84759 hours remaining, 235.460938 MB of memory in use. ENERGY: 556800 4007.7446 20499.8267 14453.6350 273.5221 -203575.0651 2853.5954 0.0000 0.0000 51782.9934 -109703.7480 297.5976 -161486.7414 -109339.9524 298.5325 57.3185 85.4478 761555.6389 6.0743 5.9905 PRESSURE: 557000 214.558 20.4467 -166.18 20.4465 56.92 -135.297 -166.18 -135.297 49.9564 GPRESSURE: 557000 297.895 -50.999 -183.498 -29.5283 40.34 -292.101 -35.9967 -150.477 69.091 PRESSAVG: 557000 -0.760401 3.58844 -57.5668 3.58847 0.760513 -28.5574 -57.5667 -28.5575 -6.24083 GPRESSAVG: 557000 -1.02677 5.6558 -58.3797 1.97299 0.886437 -30.1035 -58.4926 -27.1705 -6.36503 TIMING: 557000 CPU: 1753.84, 0.00313631/step Wall: 1753.84, 0.00313631/step, 3.87073 hours remaining, 235.460938 MB of memory in use. ENERGY: 557000 3988.2471 20589.1428 14466.2911 247.1579 -203932.5768 3016.2041 0.0000 0.0000 52030.1839 -109595.3499 299.0182 -161625.5338 -109232.8402 298.5765 107.1447 135.7754 762308.0968 -2.0802 -2.1685 PRESSURE: 557200 -404.132 -151.563 176.465 -151.564 -220.653 129.018 176.466 129.017 -92.8751 GPRESSURE: 557200 -370.298 -64.7501 272.92 -22.762 -174.119 79.8704 165.905 18.0758 -80.2519 PRESSAVG: 557200 -10.0333 -17.6825 -15.1458 -17.6824 28.67 15.3756 -15.1459 15.3756 13.7349 GPRESSAVG: 557200 -11.5196 -20.7529 -14.2338 -16.78 29.5567 16.414 -14.0351 14.4062 14.6959 TIMING: 557200 CPU: 1754.47, 0.00313393/step Wall: 1754.47, 0.00313393/step, 3.86762 hours remaining, 235.460938 MB of memory in use. ENERGY: 557200 3976.5340 20370.9804 14454.3849 246.1491 -203443.6399 2605.8483 0.0000 0.0000 52071.1718 -109718.5713 299.2537 -161789.7431 -109341.3616 298.6180 -239.2199 -208.2228 762341.7362 10.7905 10.9110 PRESSURE: 557400 -32.9497 109.47 110.082 109.47 -60.7168 223.988 110.082 223.988 -162.14 GPRESSURE: 557400 2.46136 102.085 129.971 41.3437 -102.586 132.859 171.179 323.321 -76.0084 PRESSAVG: 557400 19.6257 2.88565 52.927 2.88566 19.4285 29.4211 52.927 29.4209 -40.1549 GPRESSAVG: 557400 20.3077 4.17396 51.7892 3.52864 19.8563 29.2524 52.597 28.5486 -41.3321 TIMING: 557400 CPU: 1755.09, 0.00312423/step Wall: 1755.09, 0.00312423/step, 3.85547 hours remaining, 235.460938 MB of memory in use. ENERGY: 557400 4047.2872 20494.4149 14551.8190 221.3525 -203955.4667 2804.4282 0.0000 0.0000 52003.8219 -109832.3429 298.8667 -161836.1649 -109474.5731 298.4387 -85.2687 -58.7110 760289.4712 -0.3669 -0.3894 PRESSURE: 557600 -455.605 70.8725 38.9603 70.8717 81.7712 -164.389 38.9618 -164.389 32.1705 GPRESSURE: 557600 -306.454 5.17455 12.1414 203.251 58.842 -146.214 130.418 -257.76 -0.172171 PRESSAVG: 557600 -11.6424 -2.05038 6.36548 -2.05035 26.9656 -48.7159 6.36553 -48.7159 -1.72176 GPRESSAVG: 557600 -10.9601 -0.466526 9.76713 -1.87964 26.1736 -50.9963 2.53383 -47.4535 -1.78812 TIMING: 557600 CPU: 1755.73, 0.00317581/step Wall: 1755.73, 0.00317581/step, 3.91895 hours remaining, 235.449219 MB of memory in use. ENERGY: 557600 3893.2995 20590.6583 14511.7572 243.7970 -203703.9309 2591.8017 0.0000 0.0000 52142.4150 -109730.2020 299.6632 -161872.6170 -109354.8181 298.4289 -113.8878 -82.5946 761432.1837 4.5338 4.4751 PRESSURE: 557800 31.3904 -110.218 -91.4823 -110.218 -190.497 8.75869 -91.4805 8.75917 -189.171 GPRESSURE: 557800 81.4552 -58.3374 -50.0675 -172.761 -121.083 33.7133 -49.3004 26.1581 -225.86 PRESSAVG: 557800 -25.5101 -15.7396 89.4927 -15.7396 17.3066 52.6412 89.4927 52.6411 25.3893 GPRESSAVG: 557800 -24.9063 -14.9404 87.0934 -17.0919 17.544 55.055 92.4319 53.9904 24.7881 TIMING: 557800 CPU: 1756.36, 0.00313614/step Wall: 1756.36, 0.00313614/step, 3.86983 hours remaining, 235.460938 MB of memory in use. ENERGY: 557800 3980.2156 20505.8176 14558.6296 270.9503 -203516.1274 2629.9109 0.0000 0.0000 51852.6493 -109717.9540 297.9979 -161570.6034 -109357.7970 298.5020 -116.0924 -88.4959 761331.9780 5.7286 5.8086 PRESSURE: 558000 128.102 -17.5921 44.0546 -17.5931 113.951 46.7451 44.0553 46.7447 94.8721 GPRESSURE: 558000 213.485 -50.5352 51.548 -105.241 116.076 -0.884606 29.1395 1.05951 111.628 PRESSAVG: 558000 6.08285 -39.2433 14.4861 -39.2434 -21.8519 -24.2343 14.4861 -24.2344 -24.1989 GPRESSAVG: 558000 6.39876 -44.345 13.9892 -36.2429 -22.4164 -24.9123 15.6561 -24.5938 -24.1572 TIMING: 558000 CPU: 1756.99, 0.00315216/step Wall: 1756.99, 0.00315216/step, 3.88942 hours remaining, 235.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 3916.6161 20399.6326 14540.7761 239.6915 -203554.1753 2810.7547 0.0000 0.0000 52054.3233 -109592.3810 299.1569 -161646.7043 -109222.7955 298.9103 112.3084 147.0628 761533.8044 -13.3226 -13.3916 PRESSURE: 558200 -99.4875 88.2605 -99.403 88.2616 -382.603 7.20259 -99.4038 7.20283 -483.557 GPRESSURE: 558200 -151.587 124.245 -113.54 34.3694 -254.327 -68.4876 -27.4298 -74.0718 -472.984 PRESSAVG: 558200 42.4846 20.7759 -7.09734 20.7759 -47.017 -33.4295 -7.09732 -33.4295 14.0297 GPRESSAVG: 558200 41.1479 22.578 -5.89468 18.2332 -45.4715 -33.5149 -9.72098 -34.2943 14.3532 TIMING: 558200 CPU: 1757.61, 0.00314051/step Wall: 1757.61, 0.00314051/step, 3.87487 hours remaining, 235.636719 MB of memory in use. ENERGY: 558200 4058.9138 20374.0848 14486.1333 238.9802 -203400.0971 2485.0164 0.0000 0.0000 52072.0843 -109684.8843 299.2590 -161756.9685 -109323.4226 299.2309 -321.8825 -292.9660 762535.8015 3.1658 3.3432 PRESSURE: 558400 -260.363 -312.536 -23.6988 -312.535 -179.519 151.793 -23.6992 151.793 -18.444 GPRESSURE: 558400 -176.636 -163.764 43.6394 -219.303 -149.301 111.649 134.35 229.816 -40.4466 PRESSAVG: 558400 -13.0374 -53.6678 -51.0446 -53.6678 -26.402 -7.15033 -51.0445 -7.15034 -6.57753 GPRESSAVG: 558400 -13.3999 -53.5227 -50.6125 -53.61 -27.3206 -7.2006 -48.5893 -7.93573 -5.28688 TIMING: 558400 CPU: 1758.24, 0.0031303/step Wall: 1758.24, 0.0031303/step, 3.86209 hours remaining, 235.636719 MB of memory in use. ENERGY: 558400 4043.6623 20542.4962 14428.8727 246.3829 -203304.1314 2594.3629 0.0000 0.0000 51993.2497 -109455.1048 298.8059 -161448.3545 -109103.7319 299.0185 -152.7755 -122.1279 762866.0375 -15.3390 -15.3358 PRESSURE: 558600 66.2556 -168.378 146.336 -168.378 313.532 152.025 146.336 152.025 -22.3974 GPRESSURE: 558600 221.632 -219.465 142.019 -148.97 248.939 157.762 21.9332 90.9285 -37.446 PRESSAVG: 558600 16.7191 -7.03295 -60.0404 -7.03297 7.13252 -4.27366 -60.0404 -4.27362 0.317391 GPRESSAVG: 558600 17.5304 -4.45047 -61.191 -6.27986 7.11055 -2.82431 -61.3117 -4.3454 0.0833605 TIMING: 558600 CPU: 1758.87, 0.0031438/step Wall: 1758.87, 0.0031438/step, 3.87858 hours remaining, 235.636719 MB of memory in use. ENERGY: 558600 3916.0619 20586.4058 14546.1613 232.9469 -203614.0543 2812.6601 0.0000 0.0000 51935.9597 -109583.8586 298.4767 -161519.8183 -109220.0563 299.8694 119.1301 144.3749 760598.9350 8.0564 8.2414 PRESSURE: 558800 -64.7557 67.3007 -46.3491 67.3012 -155.188 107.42 -46.3489 107.42 135.48 GPRESSURE: 558800 14.6981 99.1295 52.0446 109.479 -82.483 146.932 -135.476 78.0356 84.7764 PRESSAVG: 558800 12.8093 -1.63079 -7.24245 -1.63079 68.7289 -5.81617 -7.24244 -5.81618 10.8393 GPRESSAVG: 558800 13.1877 -4.04568 -9.25555 -2.89098 67.8002 -6.6194 -8.36332 -5.06083 10.9528 TIMING: 558800 CPU: 1759.5, 0.00314791/step Wall: 1759.5, 0.00314791/step, 3.88348 hours remaining, 235.636719 MB of memory in use. ENERGY: 558800 3989.9407 20380.5761 14532.4906 236.5875 -203592.4260 2814.9927 0.0000 0.0000 52115.8291 -109522.0092 299.5104 -161637.8383 -109154.7559 299.4136 -28.1544 5.6638 761571.9763 30.7925 30.6469 PRESSURE: 559000 -198.911 -32.2135 33.0901 -32.2133 -225.694 44.1539 33.0907 44.1545 485.564 GPRESSURE: 559000 -177.113 95.9299 -32.7987 -71.3712 -85.0404 113.31 164.431 55.5299 436.553 PRESSAVG: 559000 -26.2234 19.2127 36.6488 19.2127 30.8031 25.7853 36.6488 25.7852 31.0102 GPRESSAVG: 559000 -26.7079 18.7723 37.6659 19.1764 32.0962 25.0708 38.3546 26.8351 30.2932 TIMING: 559000 CPU: 1760.13, 0.00315724/step Wall: 1760.13, 0.00315724/step, 3.89481 hours remaining, 235.636719 MB of memory in use. ENERGY: 559000 4028.9236 20480.5414 14448.6515 250.4376 -203696.9997 2800.0145 0.0000 0.0000 52046.6482 -109641.7829 299.1128 -161688.4311 -109281.6672 299.2994 20.3197 58.1331 760012.8855 11.8633 11.8938 PRESSURE: 559200 86.6127 57.3691 -99.5749 57.3696 -41.2554 -95.1721 -99.5754 -95.1735 141.983 GPRESSURE: 559200 109.952 10.1218 35.4094 47.7681 31.4741 41.6939 -59.3453 -72.0214 132.318 PRESSAVG: 559200 8.97325 -24.9814 -0.871205 -24.9814 10.1782 -49.0279 -0.871176 -49.0279 -8.03554 GPRESSAVG: 559200 9.24245 -24.4464 -0.797413 -27.3776 9.16459 -48.4227 -1.79353 -50.5062 -7.28652 TIMING: 559200 CPU: 1760.76, 0.00314127/step Wall: 1760.76, 0.00314127/step, 3.87493 hours remaining, 235.636719 MB of memory in use. ENERGY: 559200 3955.1050 20521.1852 14507.0074 255.0567 -203670.1155 2715.1803 0.0000 0.0000 52290.8705 -109425.7104 300.5164 -161716.5809 -109069.0216 299.7065 62.4466 91.2483 761219.4192 3.7053 3.7068 PRESSURE: 559400 44.5 13.1059 22.8226 13.1054 274.065 233.642 22.8225 233.642 91.6971 GPRESSURE: 559400 136.116 92.8009 34.0925 76.275 265.621 227.03 78.4816 120.839 71.4609 PRESSAVG: 559400 17.3384 18.5127 -23.3722 18.5128 -18.8999 -42.2946 -23.3722 -42.2947 7.76446 GPRESSAVG: 559400 18.6846 16.7978 -24.7935 21.2564 -20.5215 -41.38 -23.8013 -41.6582 7.57081 TIMING: 559400 CPU: 1761.39, 0.0031484/step Wall: 1761.39, 0.0031484/step, 3.88355 hours remaining, 235.636719 MB of memory in use. ENERGY: 559400 3968.6033 20532.0663 14487.4904 262.1244 -203704.1675 3021.4737 0.0000 0.0000 51989.0374 -109443.3720 298.7817 -161432.4093 -109078.1673 299.2845 136.7541 157.7325 761709.7766 2.0677 1.9113 PRESSURE: 559600 138.78 21.7141 57.8212 21.7131 -129.622 -176.263 57.8208 -176.263 -135.5 GPRESSURE: 559600 59.4482 -22.8222 111.014 -36.0023 -44.8909 -130.915 80.7246 -237.052 -74.9907 PRESSAVG: 559600 5.60032 4.0387 -20.8504 4.03872 8.55285 -84.2281 -20.8503 -84.2282 9.57227 GPRESSAVG: 559600 3.58017 4.04487 -19.8094 5.31321 9.86435 -85.4964 -20.59 -83.6463 9.76252 TIMING: 559600 CPU: 1762.02, 0.00314549/step Wall: 1762.02, 0.00314549/step, 3.87978 hours remaining, 235.636719 MB of memory in use. ENERGY: 559600 3971.6658 20532.5723 14512.0448 254.5886 -203893.3902 3071.3767 0.0000 0.0000 51926.2058 -109624.9362 298.4206 -161551.1420 -109266.0538 299.0655 -42.1142 -20.1445 762036.8666 7.9085 7.7357 PRESSURE: 559800 -327.896 142.661 251.417 142.66 -172.255 -71.9804 251.416 -71.9807 -352.528 GPRESSURE: 559800 -237.495 75.2052 275.536 178.76 -139.116 -86.1213 112.179 -94.259 -389.055 PRESSAVG: 559800 -17.2935 10.5209 31.9803 10.521 -11.1919 -3.39351 31.9802 -3.39339 -3.6829 GPRESSAVG: 559800 -16.4563 12.2845 33.8799 9.12226 -11.5016 -4.41853 31.3499 -3.33968 -4.01068 TIMING: 559800 CPU: 1762.65, 0.00315508/step Wall: 1762.65, 0.00315508/step, 3.89144 hours remaining, 235.636719 MB of memory in use. ENERGY: 559800 3974.9852 20504.6364 14502.7583 276.8907 -203585.7224 2816.7040 0.0000 0.0000 51942.4866 -109567.2612 298.5142 -161509.7478 -109209.5405 298.9575 -284.2262 -255.2219 761820.0902 -10.7228 -10.6562 PRESSURE: 560000 -245.06 -206.27 168.034 -206.27 -50.5387 -114.861 168.035 -114.86 203.842 GPRESSURE: 560000 -251.434 -201.734 122.706 -222.059 -25.8273 -72.2195 13.1506 -137.081 252.487 PRESSAVG: 560000 -49.2124 22.0711 -14.8835 22.071 18.5008 -2.56798 -14.8836 -2.56797 12.9536 GPRESSAVG: 560000 -49.3835 23.3135 -16.1054 22.8547 19.1552 -1.46036 -14.6299 -2.60072 12.7715 TIMING: 560000 CPU: 1763.28, 0.00316874/step Wall: 1763.28, 0.00316874/step, 3.90811 hours remaining, 235.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 3998.9388 20503.3355 14533.4678 249.0553 -202894.3681 2570.3809 0.0000 0.0000 51740.3115 -109298.8784 297.3523 -161039.1899 -108940.2717 298.8140 -30.5856 -8.2583 762817.9398 -5.9194 -5.8189 PRESSURE: 560200 140.469 -13.9345 -91.5527 -13.9346 -430.228 -270.181 -91.5529 -270.181 383.651 GPRESSURE: 560200 259.214 -54.0602 -99.8715 83.792 -492.32 -152.447 48.6682 -230.361 396.015 PRESSAVG: 560200 -59.1903 26.1357 19.2871 26.1357 36.1874 -9.38111 19.287 -9.38117 -3.85826 GPRESSAVG: 560200 -58.894 23.2874 19.3452 26.6727 35.1128 -8.66623 21.7007 -9.50689 -3.22469 TIMING: 560200 CPU: 1763.92, 0.0031726/step Wall: 1763.92, 0.0031726/step, 3.9127 hours remaining, 235.636719 MB of memory in use. ENERGY: 560200 3974.2252 20564.5380 14423.9930 256.9647 -203107.7164 2449.4274 0.0000 0.0000 52043.8629 -109394.7052 299.0968 -161438.5682 -109029.1860 298.7736 31.2973 54.3031 761197.5652 -8.9537 -9.0020 LDB: ============= START OF LOAD BALANCING ============== 1776.37 LDB: ============== END OF LOAD BALANCING =============== 1776.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1776.37 LDB: ============= START OF LOAD BALANCING ============== 1776.68 LDB: Largest compute 7025 load 0.033491 is 17.2% of average load 0.195061 LDB: Average compute 0.004391 is 2.3% of average load 0.195061 LDB: TIME 1776.69 LOAD: AVG 0.195061 MAX 0.216358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.23 MB LDB: TIME 1776.69 LOAD: AVG 0.195061 MAX 0.216358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: TIME 1776.69 LOAD: AVG 0.195061 MAX 0.216358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.328 MB LDB: ============== END OF LOAD BALANCING =============== 1776.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1776.7 PRESSURE: 560400 -323.792 -3.8116 -245.376 -3.81141 -139.503 -46.7749 -245.376 -46.7738 -575.544 GPRESSURE: 560400 -319.73 -63.2164 -301.115 -26.9248 -85.5562 -105.58 -51.5148 -119.12 -548.496 PRESSAVG: 560400 24.3111 -41.8861 21.4659 -41.8861 -48.517 -100.903 21.4658 -100.903 22.0424 GPRESSAVG: 560400 24.3179 -40.8861 20.9187 -45.0045 -48.0887 -101.682 21.0414 -100.457 21.6305 TIMING: 560400 CPU: 1764.56, 0.0032128/step Wall: 1764.56, 0.0032128/step, 3.96209 hours remaining, 235.339844 MB of memory in use. ENERGY: 560400 4015.3439 20330.1849 14533.1437 243.8207 -203144.0540 2665.2732 0.0000 0.0000 52170.3936 -109185.8941 299.8240 -161356.2877 -108819.9364 299.3394 -346.2797 -317.9276 761138.6509 -0.7212 -0.7135 PRESSURE: 560600 -61.4678 -145.644 140.414 -145.644 -406.592 -151.431 140.414 -151.431 -268.832 GPRESSURE: 560600 -90.7575 -82.6407 56.2306 -39.4622 -273.316 -175.329 106.444 -152.374 -295.121 PRESSAVG: 560600 -11.4866 -21.6161 -53.1183 -21.6161 -29.1117 -43.1982 -53.1183 -43.1983 0.963201 GPRESSAVG: 560600 -12.2245 -21.8074 -53.4708 -20.1518 -29.245 -43.5109 -52.4797 -43.4686 1.76315 TIMING: 560600 CPU: 1765.19, 0.00316824/step Wall: 1765.19, 0.00316824/step, 3.90697 hours remaining, 235.542969 MB of memory in use. ENERGY: 560600 3982.5234 20473.4369 14393.1281 252.0696 -203032.6134 2492.7863 0.0000 0.0000 52109.5401 -109329.1289 299.4742 -161438.6690 -108963.0387 299.3589 -245.6307 -219.7315 762977.6109 -13.2117 -13.2355 PRESSURE: 560800 123.189 85.5971 -157.002 85.5972 -301.536 27.0309 -157.002 27.0321 211.56 GPRESSURE: 560800 176.991 74.552 -179.607 72.0025 -182.215 83.9954 -219.936 -76.1186 122.05 PRESSAVG: 560800 -12.7229 -49.7331 47.7998 -49.7331 -1.35341 -75.1354 47.7997 -75.1354 19.9354 GPRESSAVG: 560800 -11.8563 -49.6273 48.9992 -48.7667 -2.10542 -75.0049 45.3599 -74.9715 19.453 TIMING: 560800 CPU: 1765.83, 0.00316464/step Wall: 1765.83, 0.00316464/step, 3.90235 hours remaining, 235.542969 MB of memory in use. ENERGY: 560800 4086.7628 20444.6654 14487.5846 236.3174 -203460.4790 2891.4696 0.0000 0.0000 52020.7262 -109292.9530 298.9638 -161313.6792 -108934.2698 299.0890 11.0707 38.9418 763538.5737 1.9531 1.8305 PRESSURE: 561000 -28.4343 132.086 147.764 132.086 234.963 -80.0852 147.763 -80.0855 258.081 GPRESSURE: 561000 119.542 129.966 139.3 213.448 90.9975 -184.758 129.764 96.4327 346.195 PRESSAVG: 561000 0.0121507 -44.8514 28.4832 -44.8514 -11.2184 38.8311 28.4832 38.8311 6.69523 GPRESSAVG: 561000 -0.860418 -45.8164 28.3451 -44.1158 -10.356 39.0188 30.8491 36.9124 7.27433 TIMING: 561000 CPU: 1766.46, 0.00316206/step Wall: 1766.46, 0.00316206/step, 3.89899 hours remaining, 235.542969 MB of memory in use. ENERGY: 561000 4017.2920 20450.6015 14467.4308 230.4550 -203273.0942 2798.8027 0.0000 0.0000 52082.9237 -109225.5885 299.3213 -161308.5122 -108874.4342 299.1418 154.8699 185.5781 763932.6533 -1.5037 -1.3140 PRESSURE: 561200 -16.7596 95.1264 26.8349 95.1269 36.2079 110.543 26.8344 110.544 -29.9919 GPRESSURE: 561200 57.804 118.9 86.0133 13.1317 61.5538 4.81206 -52.1665 -5.94123 -40.7847 PRESSAVG: 561200 11.5415 -36.8762 -6.66202 -36.8762 -15.3331 19.1651 -6.66193 19.1652 -0.824103 GPRESSAVG: 561200 12.3759 -34.1179 -7.8122 -39.9857 -15.9029 16.632 -7.01593 21.0463 -0.883023 TIMING: 561200 CPU: 1767.09, 0.00315576/step Wall: 1767.09, 0.00315576/step, 3.89106 hours remaining, 235.542969 MB of memory in use. ENERGY: 561200 3974.5559 20382.4218 14535.6700 247.1327 -203129.9792 2642.6142 0.0000 0.0000 51957.5363 -109390.0483 298.6007 -161347.5846 -109025.9759 299.3375 -3.5145 26.1910 763282.4229 -1.5386 -1.4700 PRESSURE: 561400 -496.464 -45.7983 -122.158 -45.798 195.866 -145.028 -122.157 -145.029 40.2317 GPRESSURE: 561400 -423.088 -58.6528 -143.353 -50.5174 224.515 -65.9561 -217.833 -87.5257 34.448 PRESSAVG: 561400 -66.5342 -49.0319 51.106 -49.0319 25.3401 -23.2242 51.106 -23.2243 20.2908 GPRESSAVG: 561400 -66.9432 -50.494 51.612 -47.6338 25.8524 -21.8303 50.9746 -22.6583 19.8307 TIMING: 561400 CPU: 1767.72, 0.00316607/step Wall: 1767.72, 0.00316607/step, 3.90359 hours remaining, 235.542969 MB of memory in use. ENERGY: 561400 3945.2455 20445.6158 14507.1550 245.4874 -202874.7679 2472.4348 0.0000 0.0000 51919.3833 -109339.4460 298.3814 -161258.8293 -108989.6773 298.6812 -86.7886 -54.7086 762913.6736 -6.9678 -7.0867 PRESSURE: 561600 -198.746 12.3567 -124.481 12.3566 -169.191 -16.9237 -124.481 -16.9248 -4.72679 GPRESSURE: 561600 -243.156 71.9131 -112.67 8.89626 -175.513 -31.499 -49.8544 -60.131 109.365 PRESSAVG: 561600 -32.8322 -13.4718 -33.2246 -13.4719 86.0314 4.05437 -33.2246 4.05435 -8.52032 GPRESSAVG: 561600 -33.0158 -13.6339 -34.3193 -12.6582 85.6433 5.12244 -32.6643 3.15713 -8.34085 TIMING: 561600 CPU: 1768.35, 0.00316013/step Wall: 1768.35, 0.00316013/step, 3.89609 hours remaining, 235.542969 MB of memory in use. ENERGY: 561600 4010.4782 20578.7926 14464.7143 251.1344 -203181.7736 2591.6688 0.0000 0.0000 52064.3971 -109220.5882 299.2148 -161284.9853 -108862.8324 299.3997 -124.2214 -103.1010 763912.6887 14.8930 14.7622 PRESSURE: 561800 -158.98 -37.4014 150.227 -37.4013 15.8135 -108.913 150.226 -108.913 158.613 GPRESSURE: 561800 -167.214 97.7306 154.213 9.586 8.20219 -102.442 127.371 -95.7116 250.669 PRESSAVG: 561800 -28.1083 4.0979 24.2377 4.09789 7.99869 -8.97032 24.2377 -8.9703 -12.42 GPRESSAVG: 561800 -27.4386 2.99031 25.3192 6.11891 8.49343 -9.42686 25.3497 -10.2196 -13.2483 TIMING: 561800 CPU: 1768.99, 0.00316785/step Wall: 1768.99, 0.00316785/step, 3.90544 hours remaining, 235.542969 MB of memory in use. ENERGY: 561800 3945.4534 20624.1146 14514.6716 250.4152 -203363.7031 2590.4954 0.0000 0.0000 52241.2947 -109197.2584 300.2314 -161438.5530 -108842.9655 299.5751 5.1488 30.5525 763682.5429 -10.8432 -10.7312 PRESSURE: 562000 -265.616 -149.126 6.18323 -149.125 -57.9663 24.8391 6.18338 24.8405 -182.673 GPRESSURE: 562000 -218.806 -116.503 -21.4861 -78.7669 23.111 -6.68456 -11.4906 35.8352 -241.038 PRESSAVG: 562000 0.810505 12.7147 27.1748 12.7148 16.7726 -16.5032 27.1748 -16.5031 -24.3683 GPRESSAVG: 562000 0.642188 13.4858 28.6953 9.13538 16.3482 -17.458 26.6378 -16.6124 -24.0249 TIMING: 562000 CPU: 1769.62, 0.00314801/step Wall: 1769.62, 0.00314801/step, 3.8808 hours remaining, 235.542969 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: 562000 4037.9353 20499.6971 14466.8533 241.9260 -203197.4164 2725.8443 0.0000 0.0000 52086.3151 -109138.8453 299.3408 -161225.1604 -108779.0590 299.3236 -168.7516 -145.5777 763537.3322 -2.2617 -2.3448 PRESSURE: 562200 19.0059 212.295 -20.7643 212.295 437.981 16.9845 -20.7653 16.9857 159.127 GPRESSURE: 562200 55.6843 150.208 -63.4252 221.665 433.874 -3.13311 -27.2792 52.8211 209.902 PRESSAVG: 562200 17.0059 33.8513 22.15 33.8514 46.0595 2.5455 22.1501 2.54549 -0.4667 GPRESSAVG: 562200 16.6475 32.6571 22.6807 33.8744 45.7988 4.40911 20.0197 4.15691 -0.124815 TIMING: 562200 CPU: 1770.25, 0.00316296/step Wall: 1770.25, 0.00316296/step, 3.89905 hours remaining, 235.542969 MB of memory in use. ENERGY: 562200 3960.1431 20559.0511 14570.1467 254.7654 -203669.3184 3069.4024 0.0000 0.0000 52090.5309 -109165.2788 299.3650 -161255.8096 -108804.1877 299.6928 205.3714 233.1534 761267.8468 20.8663 20.7738 PRESSURE: 562400 22.4389 -57.1146 18.9719 -57.1154 -428.528 -92.8686 18.9726 -92.8695 -122.68 GPRESSURE: 562400 53.0022 21.1816 42.5468 3.93674 -413.315 -111.454 2.79459 -111.862 -84.6974 PRESSAVG: 562400 31.4207 -11.961 21.1184 -11.961 -22.1726 -42.4918 21.1183 -42.4918 12.9456 GPRESSAVG: 562400 31.6069 -10.9314 19.8561 -11.7323 -22.4028 -44.798 21.1712 -41.8309 13.0483 TIMING: 562400 CPU: 1770.88, 0.00314976/step Wall: 1770.88, 0.00314976/step, 3.88261 hours remaining, 235.542969 MB of memory in use. ENERGY: 562400 3995.6195 20516.4040 14514.9608 270.2972 -203145.2637 2556.2410 0.0000 0.0000 52124.9788 -109166.7624 299.5630 -161291.7412 -108810.4284 299.1189 -176.2565 -148.3368 763074.9014 7.3979 7.4175 PRESSURE: 562600 206.722 23.9932 -89.794 23.9918 125.352 -42.8745 -89.7953 -42.8757 -357.972 GPRESSURE: 562600 160.447 -68.849 -90.72 -7.31594 174.455 34.9717 -84.5368 -122.83 -259.49 PRESSAVG: 562600 -4.25441 -11.665 41.3094 -11.665 -28.4461 -6.05082 41.3095 -6.05079 1.31324 GPRESSAVG: 562600 -4.51339 -10.6095 39.4805 -10.7933 -27.0258 -2.77874 43.2152 -7.0772 -0.395673 TIMING: 562600 CPU: 1771.51, 0.00314455/step Wall: 1771.51, 0.00314455/step, 3.87601 hours remaining, 235.542969 MB of memory in use. ENERGY: 562600 3849.9679 20502.0549 14555.1147 238.4761 -203333.4742 2627.9305 0.0000 0.0000 52290.3909 -109269.5392 300.5136 -161559.9302 -108901.2286 299.4465 -8.6327 25.1374 761937.3824 -10.4624 -10.6450 PRESSURE: 562800 25.5597 -35.4121 32.2859 -35.4123 -273.977 52.3492 32.2843 52.3475 9.2924 GPRESSURE: 562800 89.7456 -44.9865 29.1114 -33.889 -275.589 8.92332 33.4384 -8.00014 40.634 PRESSAVG: 562800 45.787 -20.0431 36.7039 -20.043 2.53497 17.6319 36.7039 17.6319 -13.6163 GPRESSAVG: 562800 46.1217 -19.9457 37.6557 -21.1401 2.54861 15.3269 36.4194 15.2164 -14.3223 TIMING: 562800 CPU: 1772.14, 0.00315423/step Wall: 1772.14, 0.00315423/step, 3.88776 hours remaining, 235.542969 MB of memory in use. ENERGY: 562800 4064.1510 20428.2698 14526.7704 257.3019 -203030.2473 2351.5713 0.0000 0.0000 52380.7286 -109021.4542 301.0328 -161402.1829 -108648.1100 299.5623 -79.7081 -48.4032 762304.1011 11.5686 11.4493 PRESSURE: 563000 6.54531 320.307 -186.105 320.307 245.358 -63.0599 -186.106 -63.0604 290.524 GPRESSURE: 563000 49.0848 330.781 -123.547 377.018 242.042 -23.3133 -321.524 -82.094 316.981 PRESSAVG: 563000 -14.6161 -18.9724 9.16782 -18.9725 32.7129 -20.0071 9.16789 -20.007 14.4634 GPRESSAVG: 563000 -15.9362 -20.8915 9.1716 -17.5964 32.2295 -16.963 10.3816 -19.7373 16.0215 TIMING: 563000 CPU: 1772.77, 0.00315908/step Wall: 1772.77, 0.00315908/step, 3.89356 hours remaining, 235.542969 MB of memory in use. ENERGY: 563000 3988.5997 20594.1495 14437.2464 242.6109 -203216.9533 2890.9265 0.0000 0.0000 51940.7263 -109122.6939 298.5041 -161063.4202 -108763.8394 299.7748 180.8089 202.7026 762950.1348 10.8534 10.7716 PRESSURE: 563200 16.8931 -183.093 -168.592 -183.093 59.7974 58.4005 -168.592 58.4007 -55.6069 GPRESSURE: 563200 55.8758 -71.2771 -276.915 -167.674 96.4313 102.935 -32.2107 -108.905 -63.2714 PRESSAVG: 563200 -6.25219 -13.5593 25.2444 -13.5593 -3.93168 -15.7463 25.2443 -15.7463 -38.2607 GPRESSAVG: 563200 -5.96262 -11.1611 25.5838 -13.4882 -4.12849 -18.3491 23.1729 -13.3826 -38.6232 TIMING: 563200 CPU: 1773.41, 0.00317037/step Wall: 1773.41, 0.00317037/step, 3.90731 hours remaining, 235.542969 MB of memory in use. ENERGY: 563200 4070.2895 20509.4087 14515.7217 233.6134 -203302.5636 2885.4924 0.0000 0.0000 51966.1085 -109121.9295 298.6499 -161088.0380 -108765.8792 298.9044 7.0278 29.6786 763025.2256 -16.1482 -16.2381 PRESSURE: 563400 -136.057 61.7997 175.662 61.8004 -21.0582 135.147 175.662 135.148 -456.512 GPRESSURE: 563400 -108.231 -20.6393 201.368 -60.9501 14.7075 133.093 190.336 56.4396 -431.388 PRESSAVG: 563400 2.79752 3.41781 -26.7639 3.4178 -7.09604 -48.3384 -26.7639 -48.3384 -0.445635 GPRESSAVG: 563400 1.08151 1.11983 -26.8073 2.42987 -6.252 -48.4699 -24.9088 -48.6528 0.169407 TIMING: 563400 CPU: 1774.04, 0.00316386/step Wall: 1774.04, 0.00316386/step, 3.8991 hours remaining, 235.542969 MB of memory in use. ENERGY: 563400 3999.2257 20504.9467 14484.3676 258.7556 -203103.4198 2470.6703 0.0000 0.0000 52214.1106 -109171.3434 300.0752 -161385.4540 -108805.6977 299.3433 -204.5426 -174.9704 762347.0539 -1.5814 -1.6670 PRESSURE: 563600 65.9382 29.0153 41.9381 29.0156 -336.908 69.2865 41.9381 69.2857 358.12 GPRESSURE: 563600 115.977 -71.9832 159.084 52.6781 -306.656 17.4504 32.4968 -40.6201 340.873 PRESSAVG: 563600 18.1388 20.1622 11.977 20.1622 -18.6997 -25.2504 11.9771 -25.2505 -2.89415 GPRESSAVG: 563600 19.2843 19.5611 10.9533 22.4932 -19.4717 -25.8392 12.1704 -26.1764 -3.63456 TIMING: 563600 CPU: 1774.67, 0.00317536/step Wall: 1774.67, 0.00317536/step, 3.9131 hours remaining, 235.542969 MB of memory in use. ENERGY: 563600 3999.3617 20563.0594 14425.2986 240.8827 -203264.7091 2881.6653 0.0000 0.0000 52061.4598 -109092.9816 299.1979 -161154.4415 -108744.1391 299.5247 29.0503 50.0647 762414.3088 -1.1517 -1.2740 PRESSURE: 563800 138.123 -69.2978 103.861 -69.2977 130.587 -186.681 103.86 -186.68 121.292 GPRESSURE: 563800 224.954 -5.21711 61.331 29.6484 139.599 -176.06 41.9992 -49.0264 109.926 PRESSAVG: 563800 16.2717 26.9258 32.0431 26.9257 21.1868 -37.6764 32.0431 -37.6762 0.506762 GPRESSAVG: 563800 16.2573 27.609 33.1854 25.54 21.688 -38.6633 29.6862 -35.4458 0.643901 TIMING: 563800 CPU: 1775.31, 0.00315649/step Wall: 1775.31, 0.00315649/step, 3.88967 hours remaining, 235.542969 MB of memory in use. ENERGY: 563800 3938.9880 20416.2340 14435.4476 239.1724 -203313.2246 2797.7951 0.0000 0.0000 52373.2066 -109112.3809 300.9895 -161485.5875 -108749.5048 299.3580 130.0007 158.1596 761471.9275 12.6551 12.8631 PRESSURE: 564000 -160.869 -41.3355 197.88 -41.3354 399.831 -132.811 197.88 -132.811 -305.158 GPRESSURE: 564000 37.3773 -49.8712 294.231 -35.34 289.963 -63.921 223.712 -110.049 -296.488 PRESSAVG: 564000 -26.2898 20.9494 76.177 20.9494 2.25752 -15.1977 76.1769 -15.1977 9.04453 GPRESSAVG: 564000 -25.599 18.3012 77.1909 21.2944 0.291438 -14.5185 76.4192 -16.5271 10.0019 TIMING: 564000 CPU: 1775.93, 0.00314821/step Wall: 1775.93, 0.00314821/step, 3.8793 hours remaining, 235.542969 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: 564000 3980.3697 20467.5247 14436.0970 244.0061 -203531.3018 2827.3383 0.0000 0.0000 52356.9139 -109219.0522 300.8959 -161575.9661 -108847.4903 299.7742 -22.0653 10.2841 761846.7191 -4.9959 -5.1019 PRESSURE: 564200 152.459 20.6119 231.579 20.6114 -125.608 -45.2334 231.579 -45.2328 -285.218 GPRESSURE: 564200 133.201 -17.4816 161.114 -28.3146 -68.6064 -35.5824 137.037 -83.3909 -239.714 PRESSAVG: 564200 16.3388 -34.8446 17.2799 -34.8447 -7.67115 -0.549328 17.2798 -0.549389 -17.9558 GPRESSAVG: 564200 15.6358 -32.0649 18.1378 -35.6489 -6.65861 -0.30882 16.2813 -0.0889099 -17.9957 TIMING: 564200 CPU: 1776.57, 0.00315049/step Wall: 1776.57, 0.00315049/step, 3.88192 hours remaining, 235.542969 MB of memory in use. ENERGY: 564200 3944.5600 20652.0749 14408.8281 241.9375 -202948.5424 2539.5877 0.0000 0.0000 52064.6400 -109096.9142 299.2162 -161161.5542 -108737.1949 299.7009 -86.1222 -58.3732 765363.1611 -3.0961 -3.0062 LDB: ============= START OF LOAD BALANCING ============== 1789.02 LDB: ============== END OF LOAD BALANCING =============== 1789.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1789.02 LDB: ============= START OF LOAD BALANCING ============== 1789.34 LDB: Largest compute 7034 load 0.035147 is 18.0% of average load 0.194975 LDB: Average compute 0.004404 is 2.3% of average load 0.194975 LDB: TIME 1789.34 LOAD: AVG 0.194975 MAX 0.213349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.184 MB LDB: TIME 1789.34 LOAD: AVG 0.194975 MAX 0.213349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: TIME 1789.34 LOAD: AVG 0.194975 MAX 0.213349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: ============== END OF LOAD BALANCING =============== 1789.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1789.35 PRESSURE: 564400 160.605 35.0789 -179.648 35.0797 -161.2 36.1775 -179.648 36.1767 -124.588 GPRESSURE: 564400 157.505 69.3575 -62.4006 -17.8628 -71.7215 16.6259 -205.858 21.8318 -141.914 PRESSAVG: 564400 -3.09806 -43.2401 20.9713 -43.2401 17.0126 8.79392 20.9713 8.79389 -22.2392 GPRESSAVG: 564400 -3.95341 -44.4572 20.1025 -43.0829 17.122 9.75528 21.115 8.40504 -22.104 TIMING: 564400 CPU: 1777.21, 0.00324565/step Wall: 1777.21, 0.00324565/step, 3.999 hours remaining, 235.285156 MB of memory in use. ENERGY: 564400 4033.8426 20679.2027 14459.8108 239.4054 -203381.6698 3037.3116 0.0000 0.0000 51890.9214 -109041.1754 298.2178 -160932.0968 -108685.2090 299.8986 -41.7278 -18.7103 765069.4626 -2.7749 -2.9785 PRESSURE: 564600 -233.782 -66.9656 96.1626 -66.9648 -270.742 -87.9114 96.1627 -87.9112 252.019 GPRESSURE: 564600 -245.885 -59.3715 68.0207 -83.0466 -177.677 -123.588 176.166 -79.4637 253.793 PRESSAVG: 564600 -12.3854 -18.9027 47.6603 -18.9027 27.642 -19.2547 47.6602 -19.2547 -3.96896 GPRESSAVG: 564600 -12.4291 -18.4564 45.8186 -20.0985 27.855 -19.849 50.3064 -19.0695 -4.10931 TIMING: 564600 CPU: 1777.85, 0.00317232/step Wall: 1777.85, 0.00317232/step, 3.90848 hours remaining, 235.285156 MB of memory in use. ENERGY: 564600 3971.4799 20477.8664 14570.6806 263.8461 -203206.2410 2749.7281 0.0000 0.0000 51942.2107 -109230.4291 298.5126 -161172.6398 -108873.0715 299.6716 -84.1682 -56.5899 764919.7376 3.7626 3.7722 PRESSURE: 564800 -27.0749 -276.59 36.3773 -276.589 -133.71 -93.5027 36.3774 -93.5035 -74.4668 GPRESSURE: 564800 69.312 -147.912 16.7728 -131.989 -126.689 1.52964 44.733 -68.2078 -89.7253 PRESSAVG: 564800 -56.9165 -38.3725 23.1939 -38.3725 21.4527 12.9778 23.194 12.9778 -14.9878 GPRESSAVG: 564800 -55.6326 -39.5547 24.7979 -36.6591 19.9127 13.929 22.9376 13.2504 -14.7546 TIMING: 564800 CPU: 1778.49, 0.00319049/step Wall: 1778.49, 0.00319049/step, 3.93068 hours remaining, 235.285156 MB of memory in use. ENERGY: 564800 4020.3952 20455.2057 14510.1356 242.9704 -203212.1511 2714.2329 0.0000 0.0000 52175.8273 -109093.3840 299.8552 -161269.2113 -108735.7038 299.3483 -78.4174 -49.0343 763448.0830 -16.8172 -16.8248 PRESSURE: 565000 -200.528 -112.397 46.2669 -112.398 -151.688 58.3612 46.267 58.3596 53.1142 GPRESSURE: 565000 -194.373 -77.2422 62.1667 -134.771 -112.635 -30.1965 71.2184 103.694 89.8226 PRESSAVG: 565000 15.7438 -29.4658 33.0943 -29.4658 -62.6349 2.46434 33.0943 2.46436 -13.6553 GPRESSAVG: 565000 14.5355 -26.4354 33.1467 -31.2267 -61.2928 0.998579 31.0928 3.03096 -13.9917 TIMING: 565000 CPU: 1779.13, 0.00322267/step Wall: 1779.13, 0.00322267/step, 3.97016 hours remaining, 235.285156 MB of memory in use. ENERGY: 565000 3958.7662 20508.5213 14514.0572 266.1542 -203364.2876 2652.2259 0.0000 0.0000 52260.2378 -109204.3249 300.3403 -161464.5628 -108837.9861 299.7025 -99.7006 -72.3950 764241.4485 -20.1822 -20.2497 PRESSURE: 565200 89.4117 60.1188 -0.169937 60.1179 167.93 -71.7685 -0.169694 -71.7688 -348.942 GPRESSURE: 565200 109.373 22.853 5.25957 59.7473 160.64 -136.024 62.0973 -16.0034 -280.029 PRESSAVG: 565200 -31.1277 -1.77373 47.99 -1.77375 -10.2092 3.94897 47.99 3.94894 -1.02415 GPRESSAVG: 565200 -30.992 -2.49802 46.5168 -0.679141 -10.9635 4.86548 50.7553 3.92766 -0.742972 TIMING: 565200 CPU: 1779.76, 0.00316741/step Wall: 1779.76, 0.00316741/step, 3.9019 hours remaining, 235.285156 MB of memory in use. ENERGY: 565200 4009.9231 20488.1213 14546.9120 253.7551 -203741.8892 3189.0738 0.0000 0.0000 52162.9412 -109091.1627 299.7811 -161254.1039 -108725.1332 299.9805 -30.5336 -3.3387 763084.2898 -14.1204 -14.2328 PRESSURE: 565400 215.094 158.484 99.7265 158.484 -184.331 -82.0508 99.7266 -82.051 332.556 GPRESSURE: 565400 279.608 111.506 112.618 112.261 -149.055 -160.77 8.39644 11.2858 336.477 PRESSAVG: 565400 -46.6245 -22.9274 54.6487 -22.9274 48.9501 -44.236 54.6487 -44.2361 13.2064 GPRESSAVG: 565400 -46.6682 -24.3903 56.3271 -24.1502 48.6413 -44.1437 52.6292 -45.5527 13.2554 TIMING: 565400 CPU: 1780.4, 0.00317516/step Wall: 1780.4, 0.00317516/step, 3.91127 hours remaining, 235.285156 MB of memory in use. ENERGY: 565400 3970.1382 20436.2529 14493.1524 254.8686 -203148.5712 2658.9953 0.0000 0.0000 51808.6479 -109526.5159 297.7450 -161335.1638 -109170.7661 299.4807 121.1063 155.6769 762898.5494 5.1773 5.0762 PRESSURE: 565600 -23.7105 -245.614 67.4544 -245.614 -144.892 -86.5066 67.4545 -86.5063 108.725 GPRESSURE: 565600 44.1468 -138.029 72.7092 -128.945 -104.968 -14.5327 128.937 -79.2446 80.2155 PRESSAVG: 565600 -29.2415 -27.6764 -29.0683 -27.6764 25.8918 -99.9595 -29.0684 -99.9595 10.2164 GPRESSAVG: 565600 -29.7101 -28.5247 -30.041 -25.1251 27.4397 -99.6805 -28.4666 -99.2323 8.81388 TIMING: 565600 CPU: 1781.03, 0.00315956/step Wall: 1781.03, 0.00315956/step, 3.89188 hours remaining, 235.285156 MB of memory in use. ENERGY: 565600 4029.5629 20581.4288 14483.5224 231.3782 -203589.7110 2770.9254 0.0000 0.0000 52069.9474 -109422.9458 299.2467 -161492.8932 -109061.3835 298.8303 -19.9591 6.4648 762410.7384 2.2889 2.1812 PRESSURE: 565800 -65.1004 -49.5883 -45.8333 -49.5884 207.48 45.9553 -45.8331 45.9561 216.205 GPRESSURE: 565800 -20.4022 -114.998 -71.5617 -41.8906 180.616 18.4558 -17.7969 49.0545 279.151 PRESSAVG: 565800 -58.0371 -72.3022 -14.4665 -72.3023 19.1324 -49.8019 -14.4665 -49.802 5.06353 GPRESSAVG: 565800 -56.7927 -71.4511 -13.3853 -74.3225 18.7682 -49.8536 -14.6858 -48.7346 3.93999 TIMING: 565800 CPU: 1781.67, 0.00318136/step Wall: 1781.67, 0.00318136/step, 3.91855 hours remaining, 235.285156 MB of memory in use. ENERGY: 565800 3977.1150 20423.4305 14496.1292 237.1877 -203095.9446 2666.0851 0.0000 0.0000 51976.7726 -109319.2246 298.7112 -161295.9972 -108949.1998 298.8212 119.5281 146.4549 763222.7338 -11.2804 -11.3615 PRESSURE: 566000 175.215 -54.2018 -51.0206 -54.2028 129.996 -180.776 -51.0214 -180.777 -87.4141 GPRESSURE: 566000 169.126 -84.2104 -30.3593 -85.8465 179.558 -237.382 -39.3016 -119.752 -50.9389 PRESSAVG: 566000 6.54369 -40.5918 18.1902 -40.5918 31.1331 -37.8046 18.1902 -37.8045 12.2758 GPRESSAVG: 566000 6.4313 -38.7844 16.5865 -40.9137 30.4507 -39.1622 18.2213 -38.1722 13.2694 TIMING: 566000 CPU: 1782.3, 0.00315572/step Wall: 1782.3, 0.00315572/step, 3.88679 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: 566000 3924.1544 20519.1368 14523.4951 255.5366 -203220.4391 2663.7973 0.0000 0.0000 51935.3633 -109398.9556 298.4732 -161334.3189 -109031.1208 299.5095 72.5992 99.2484 762857.3581 16.6509 16.7171 PRESSURE: 566200 82.1999 -117.162 83.3964 -117.162 -102.294 37.0468 83.3969 37.0461 4.07747 GPRESSURE: 566200 128.401 -79.4919 83.7213 -120.374 -40.7995 0.949768 -99.987 -124.19 -27.2766 PRESSAVG: 566200 28.6589 -8.53756 -5.20924 -8.53761 -19.2902 -65.7458 -5.20925 -65.7458 4.50127 GPRESSAVG: 566200 28.1118 -9.81272 -4.33872 -7.37328 -18.1585 -65.4101 -2.72555 -67.0431 3.69678 TIMING: 566200 CPU: 1782.93, 0.00315417/step Wall: 1782.93, 0.00315417/step, 3.88471 hours remaining, 235.285156 MB of memory in use. ENERGY: 566200 3972.6229 20479.7297 14461.0745 239.5974 -203632.1126 2889.8703 0.0000 0.0000 52154.2587 -109434.9591 299.7312 -161589.2178 -109075.2201 298.7888 -5.3390 20.1084 762626.8455 4.6233 4.5500 PRESSURE: 566400 162.043 53.6427 168.094 53.6434 428.574 -310.365 168.093 -310.365 -66.8665 GPRESSURE: 566400 189.896 -40.8341 180.375 53.9878 415.459 -302.581 5.23202 -206.149 -16.0528 PRESSAVG: 566400 2.52344 -14.2525 -29.7486 -14.2526 2.24416 -98.8866 -29.7487 -98.8866 8.31866 GPRESSAVG: 566400 2.1965 -16.3675 -30.3429 -13.0877 1.70212 -99.2601 -30.889 -96.5239 9.35821 TIMING: 566400 CPU: 1783.57, 0.0031827/step Wall: 1783.57, 0.0031827/step, 3.91967 hours remaining, 235.285156 MB of memory in use. ENERGY: 566400 4060.2594 20607.4337 14474.3431 240.8217 -203691.1991 2830.6761 0.0000 0.0000 52205.9344 -109271.7307 300.0282 -161477.6651 -108915.0247 299.4032 174.5835 196.4339 762541.2360 4.3621 4.4189 PRESSURE: 566600 -384.881 -137.843 264.096 -137.843 -361.545 -114.228 264.096 -114.228 -241.215 GPRESSURE: 566600 -299.206 -211.423 267.719 -180.975 -316.422 -84.3038 101.371 -149.964 -292.572 PRESSAVG: 566600 43.275 5.29602 53.5762 5.29607 -9.38371 -37.2122 53.5762 -37.2122 -4.57959 GPRESSAVG: 566600 42.8717 3.73972 53.1633 5.1748 -9.26249 -34.1805 51.2036 -41.619 -4.09715 TIMING: 566600 CPU: 1784.2, 0.00316811/step Wall: 1784.2, 0.00316811/step, 3.90153 hours remaining, 235.285156 MB of memory in use. ENERGY: 566600 4072.5562 20381.7367 14603.5621 239.8278 -203383.8428 2510.0246 0.0000 0.0000 52343.7692 -109232.3663 300.8204 -161576.1355 -108865.3928 299.6485 -329.2136 -302.7330 763197.0505 9.7706 9.8374 PRESSURE: 566800 -192.726 -26.3718 95.9428 -26.3708 95.0301 19.4696 95.942 19.4702 182.729 GPRESSURE: 566800 -93.5342 -82.3394 90.7476 69.6044 46.5019 -111.019 139.162 71.2839 186.073 PRESSAVG: 566800 -21.2506 -36.6929 42.9657 -36.6929 4.79662 -61.5654 42.9656 -61.5655 14.3563 GPRESSAVG: 566800 -21.5009 -33.8901 42.9204 -37.5294 5.38061 -64.1875 45.4039 -59.2618 14.173 TIMING: 566800 CPU: 1784.83, 0.00316182/step Wall: 1784.83, 0.00316182/step, 3.89361 hours remaining, 235.285156 MB of memory in use. ENERGY: 566800 4050.4486 20471.8427 14499.6175 246.0826 -203107.8198 2553.4234 0.0000 0.0000 52113.0547 -109173.3503 299.4944 -161286.4050 -108807.0432 299.4084 28.3447 46.3468 764024.9328 -0.6992 -0.6491 PRESSURE: 567000 145.01 -199.986 60.1048 -199.984 -197.22 -144.351 60.1054 -144.352 -157.109 GPRESSURE: 567000 113.859 -201.477 51.21 -205.559 -48.3872 -177.324 38.284 -61.8259 -197.651 PRESSAVG: 567000 0.922315 -40.1213 41.0993 -40.1212 18.7794 -16.6251 41.0993 -16.6251 -2.40524 GPRESSAVG: 567000 1.80236 -39.4952 40.4665 -41.6468 18.1858 -15.5747 39.5166 -15.3548 -3.10463 TIMING: 567000 CPU: 1785.47, 0.0031768/step Wall: 1785.47, 0.0031768/step, 3.91188 hours remaining, 235.285156 MB of memory in use. ENERGY: 567000 4073.7223 20615.0621 14441.1086 253.7772 -203630.2664 3001.5176 0.0000 0.0000 51897.1923 -109347.8864 298.2539 -161245.0787 -108994.4435 299.4698 -69.7730 -44.0597 763057.7719 5.7655 5.6278 PRESSURE: 567200 -323.55 -10.5955 -35.0514 -10.5955 -221.718 -171.727 -35.0512 -171.727 -80.1316 GPRESSURE: 567200 -178.271 -16.5017 -103.883 -86.2674 -266.992 -118.757 103.943 -160.66 -107.022 PRESSAVG: 567200 -20.4646 -12.8145 19.4204 -12.8145 10.7143 -94.1217 19.4205 -94.1217 1.13104 GPRESSAVG: 567200 -19.9705 -14.7059 19.9746 -9.61985 10.4915 -93.8129 20.8425 -98.014 1.45868 TIMING: 567200 CPU: 1786.1, 0.00317036/step Wall: 1786.1, 0.00317036/step, 3.90377 hours remaining, 235.285156 MB of memory in use. ENERGY: 567200 3918.8883 20505.0384 14462.2959 243.4231 -203540.7155 2818.7440 0.0000 0.0000 52345.7370 -109246.5888 300.8317 -161592.3257 -108886.3731 299.1453 -208.4664 -184.0950 762234.2732 -2.8731 -2.6734 PRESSURE: 567400 -71.5963 84.0676 -128.863 84.0677 -80.7847 75.9864 -128.864 75.9859 161.091 GPRESSURE: 567400 -33.7004 134.758 -169.508 -81.0319 -30.4741 67.2256 -100.445 110.373 153.664 PRESSAVG: 567400 -5.75601 -40.2774 57.6986 -40.2774 -36.7431 -27.8277 57.6985 -27.8277 -1.56284 GPRESSAVG: 567400 -6.79627 -38.4208 58.4949 -41.9442 -36.1638 -28.6634 57.0245 -24.1678 -1.10824 TIMING: 567400 CPU: 1786.74, 0.00317519/step Wall: 1786.74, 0.00317519/step, 3.90954 hours remaining, 235.285156 MB of memory in use. ENERGY: 567400 3983.3301 20595.9982 14483.3993 266.3186 -203265.4657 2658.9900 0.0000 0.0000 52083.9155 -109193.5139 299.3270 -161277.4294 -108834.7451 299.8821 2.9032 29.8298 763324.9354 -14.6873 -14.6894 PRESSURE: 567600 17.2133 -75.3837 -142.663 -75.383 173.751 67.8122 -142.661 67.8125 111.22 GPRESSURE: 567600 43.2314 -93.5389 -225.316 6.27453 213.771 78.9934 -52.0013 -37.8954 98.9077 PRESSAVG: 567600 12.3546 -15.0837 53.1292 -15.0837 16.8826 -43.6613 53.1293 -43.6613 9.26278 GPRESSAVG: 567600 11.5403 -15.689 52.2039 -14.9221 17.3287 -45.2624 54.0907 -43.8679 9.46124 TIMING: 567600 CPU: 1787.37, 0.00316732/step Wall: 1787.37, 0.00316732/step, 3.89967 hours remaining, 235.285156 MB of memory in use. ENERGY: 567600 3957.5831 20557.1931 14428.6190 227.4908 -203019.7221 2529.0296 0.0000 0.0000 52197.3527 -109122.4537 299.9789 -161319.8064 -108754.9345 299.2419 100.7279 118.6366 762367.6320 12.8333 12.7767 PRESSURE: 567800 -89.3317 -153.898 144.597 -153.898 34.4782 -4.09814 144.596 -4.09872 -506.131 GPRESSURE: 567800 -69.3337 -150.034 136.778 -77.1383 50.2231 55.1902 177.873 38.4436 -447.663 PRESSAVG: 567800 -67.351 -8.07083 7.36131 -8.0709 56.7172 -16.1848 7.36132 -16.1847 -26.0914 GPRESSAVG: 567800 -66.6696 -7.03076 9.94438 -7.99618 56.6179 -14.1869 7.39982 -17.8193 -26.7955 TIMING: 567800 CPU: 1788.01, 0.00318062/step Wall: 1788.01, 0.00318062/step, 3.91588 hours remaining, 235.285156 MB of memory in use. ENERGY: 567800 4031.9208 20623.9919 14537.9757 240.7504 -203034.8912 2409.1260 0.0000 0.0000 52086.4804 -109104.6460 299.3417 -161191.1264 -108755.0114 299.4841 -186.9950 -155.5912 763214.0442 -12.2417 -12.2824 PRESSURE: 568000 -276.532 69.3954 -199.646 69.3942 -4.05031 -39.5529 -199.646 -39.5523 -113.155 GPRESSURE: 568000 -164.478 63.4557 -313.456 -42.6695 20.8583 -68.8696 -173.778 6.25743 -175.398 PRESSAVG: 568000 39.2961 -36.6056 -14.19 -36.6056 1.17731 47.3328 -14.19 47.3328 -28.0032 GPRESSAVG: 568000 40.4837 -36.3275 -14.8053 -36.1128 2.29329 47.6618 -15.6367 49.7713 -30.3793 TIMING: 568000 CPU: 1788.64, 0.00316176/step Wall: 1788.64, 0.00316176/step, 3.89247 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: 568000 3963.0714 20606.3769 14539.7116 250.5453 -203239.1339 2549.5838 0.0000 0.0000 52294.6333 -109035.2116 300.5380 -161329.8450 -108669.3134 300.0995 -131.2459 -106.3392 763247.2740 4.1567 4.1325 PRESSURE: 568200 -138.424 -59.9572 136.044 -59.957 77.5995 71.2101 136.044 71.2105 -355.099 GPRESSURE: 568200 -82.4887 -31.455 166.657 -49.3154 81.9459 24.6793 140.426 48.6587 -327.369 PRESSAVG: 568200 9.03989 -6.64416 8.03421 -6.64422 35.6584 -21.8185 8.03421 -21.8186 33.6104 GPRESSAVG: 568200 8.06562 -9.51702 8.83002 -6.07148 34.8755 -22.0641 8.06856 -23.6715 35.2331 TIMING: 568200 CPU: 1789.27, 0.00316534/step Wall: 1789.27, 0.00316534/step, 3.89671 hours remaining, 235.285156 MB of memory in use. ENERGY: 568200 4059.8258 20301.8473 14440.7636 246.5703 -203282.2643 2710.3778 0.0000 0.0000 52420.1411 -109102.7383 301.2593 -161522.8795 -108741.6376 299.5365 -138.6411 -109.3041 761442.7695 26.1029 26.0581 LDB: ============= START OF LOAD BALANCING ============== 1801.72 LDB: ============== END OF LOAD BALANCING =============== 1801.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1801.73 LDB: ============= START OF LOAD BALANCING ============== 1802.04 LDB: Largest compute 7073 load 0.035492 is 18.2% of average load 0.194936 LDB: Average compute 0.004384 is 2.2% of average load 0.194936 LDB: TIME 1802.05 LOAD: AVG 0.194936 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.055 MB LDB: TIME 1802.05 LOAD: AVG 0.194936 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.125 MB LDB: TIME 1802.05 LOAD: AVG 0.194936 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.125 MB LDB: ============== END OF LOAD BALANCING =============== 1802.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1802.05 PRESSURE: 568400 -103.432 -146.142 -53.8865 -146.142 -430.328 -312.69 -53.8868 -312.69 -249.337 GPRESSURE: 568400 -197.392 -181.843 -27.6849 -111.737 -309.153 -301.972 15.813 -302.177 -213.736 PRESSAVG: 568400 46.7887 19.5337 6.23667 19.5337 -69.1651 -60.7009 6.23661 -60.7009 -14.5656 GPRESSAVG: 568400 46.7412 21.6393 4.34438 20.1539 -68.7821 -60.2324 7.18504 -59.9458 -14.7086 TIMING: 568400 CPU: 1789.92, 0.00322729/step Wall: 1789.92, 0.00322729/step, 3.9728 hours remaining, 235.082031 MB of memory in use. ENERGY: 568400 3998.4469 20611.6589 14493.9916 255.0133 -202618.7863 2300.8167 0.0000 0.0000 51999.2662 -108959.5928 298.8405 -160958.8590 -108599.6200 299.1335 -261.0323 -240.0937 763032.8441 -12.3140 -12.2498 PRESSURE: 568600 0.180492 155.976 -43.4335 155.976 131.554 91.4905 -43.4331 91.4902 323.703 GPRESSURE: 568600 107.006 133.623 -46.7252 49.372 120.821 156.99 -54.7797 -33.012 315.41 PRESSAVG: 568600 -5.19723 -7.40735 -8.71201 -7.40725 -4.83174 -27.3827 -8.71199 -27.3827 2.41974 GPRESSAVG: 568600 -4.18931 -6.57489 -7.28006 -9.96995 -5.32361 -29.3152 -9.0681 -26.8814 2.26722 TIMING: 568600 CPU: 1790.55, 0.00318569/step Wall: 1790.55, 0.00318569/step, 3.92141 hours remaining, 235.082031 MB of memory in use. ENERGY: 568600 3981.5225 20499.6396 14502.4449 237.9581 -202754.5970 2629.0983 0.0000 0.0000 51882.0729 -109021.8607 298.1670 -160903.9336 -108661.3761 299.4461 151.8126 181.0789 762550.6294 -2.5364 -2.4152 PRESSURE: 568800 -86.3569 -65.5757 202.783 -65.575 157.918 -43.9826 202.784 -43.9826 121.856 GPRESSURE: 568800 29.4281 -22.619 235.064 -129.954 216.728 11.8805 173.408 11.4056 23.3007 PRESSAVG: 568800 -4.71409 -41.3797 5.9528 -41.3797 17.7897 -39.4206 5.95287 -39.4206 -25.2267 GPRESSAVG: 568800 -6.01946 -41.26 5.4993 -41.8427 18.9041 -39.0135 6.94692 -38.9865 -24.5473 TIMING: 568800 CPU: 1791.19, 0.00317604/step Wall: 1791.19, 0.00317604/step, 3.90935 hours remaining, 235.082031 MB of memory in use. ENERGY: 568800 4024.5396 20341.0181 14523.9460 249.0814 -202999.4230 2588.0909 0.0000 0.0000 52176.9123 -109095.8347 299.8614 -161272.7470 -108724.1456 299.1817 64.4724 89.8190 761533.5927 -4.0504 -3.8876 PRESSURE: 569000 137.211 64.9506 68.2268 64.9502 217.197 -237.099 68.2266 -237.099 -250.666 GPRESSURE: 569000 139.257 -30.1898 68.4475 4.37653 164.655 -258.407 113.403 -256.168 -122.215 PRESSAVG: 569000 31.8251 -8.09659 53.7102 -8.09663 -41.7665 -18.7032 53.7102 -18.7031 3.9023 GPRESSAVG: 569000 31.8694 -10.2298 52.2378 -5.2662 -41.2417 -18.9999 53.2867 -19.3483 3.31418 TIMING: 569000 CPU: 1791.83, 0.00319099/step Wall: 1791.83, 0.00319099/step, 3.92757 hours remaining, 235.082031 MB of memory in use. ENERGY: 569000 4055.9196 20639.8371 14537.8832 257.6009 -203376.8337 2730.5236 0.0000 0.0000 52071.1485 -109083.9207 299.2536 -161155.0692 -108731.7352 299.7339 34.5808 60.5657 762447.1950 -2.0131 -2.0194 PRESSURE: 569200 -330.261 -31.4044 4.59981 -31.404 -109.535 -291.733 4.59893 -291.733 -152.204 GPRESSURE: 569200 -257.215 -88.5196 51.2073 13.0025 -63.5675 -265.061 -32.0234 -439.762 -187.065 PRESSAVG: 569200 18.6278 -13.8623 -24.7264 -13.8622 1.28606 -58.0154 -24.7264 -58.0154 -2.45732 GPRESSAVG: 569200 19.3 -13.629 -25.04 -16.4098 0.465684 -57.8753 -25.9551 -56.8273 -2.13717 TIMING: 569200 CPU: 1792.46, 0.00317746/step Wall: 1792.46, 0.00317746/step, 3.91074 hours remaining, 235.082031 MB of memory in use. ENERGY: 569200 4002.0791 20599.3772 14515.3441 265.0285 -202647.6041 2144.9398 0.0000 0.0000 52115.0324 -109005.8029 299.5058 -161120.8353 -108649.0414 300.0772 -197.3332 -169.2823 763061.8898 5.8188 5.8762 PRESSURE: 569400 191.595 -96.2405 -205.478 -96.24 54.6392 -149.219 -205.477 -149.22 -141.437 GPRESSURE: 569400 209.035 -102.54 -140.467 -61.4847 197.441 -51.2538 -148.399 -100.877 -205.481 PRESSAVG: 569400 3.12361 -53.4103 -34.1143 -53.4104 -51.9873 -34.6091 -34.1143 -34.6091 -10.7088 GPRESSAVG: 569400 2.39372 -53.1291 -32.3373 -52.523 -51.2407 -34.3534 -34.7449 -36.8495 -10.6607 TIMING: 569400 CPU: 1793.1, 0.00316336/step Wall: 1793.1, 0.00316336/step, 3.89322 hours remaining, 235.082031 MB of memory in use. ENERGY: 569400 3975.1517 20325.1921 14499.4715 230.7897 -203129.0789 2659.6989 0.0000 0.0000 52306.6480 -109132.1270 300.6070 -161438.7750 -108757.3960 299.8548 34.9326 66.9984 761575.2121 -19.8575 -19.8359 PRESSURE: 569600 -319.837 -96.9054 -30.9371 -96.906 -153.81 325.654 -30.9367 325.654 42.831 GPRESSURE: 569600 -263.358 -107.141 17.3773 -32.2831 -90.8791 278.273 11.6535 154.405 5.08698 PRESSAVG: 569600 10.9093 12.8479 -21.5969 12.848 -25.4939 12.2016 -21.5968 12.2016 -24.7436 GPRESSAVG: 569600 11.637 11.4015 -22.4571 15.0599 -25.0634 12.3452 -20.8665 11.8402 -25.2331 TIMING: 569600 CPU: 1793.73, 0.00316899/step Wall: 1793.73, 0.00316899/step, 3.89997 hours remaining, 235.082031 MB of memory in use. ENERGY: 569600 3963.9959 20453.3087 14516.6208 254.9189 -202851.2256 2403.8134 0.0000 0.0000 52128.2891 -109130.2789 299.5820 -161258.5680 -108766.0587 299.7298 -143.6052 -116.3832 763049.9819 -13.1094 -12.8865 PRESSURE: 569800 11.546 86.3481 -13.8978 86.3481 148.131 -14.4061 -13.898 -14.4055 197.679 GPRESSURE: 569800 90.365 53.962 -85.0244 74.0132 90.4457 88.3276 -32.5528 -31.0103 227.526 PRESSAVG: 569800 21.5137 36.7 -40.4116 36.7 0.694134 -9.50474 -40.4116 -9.50476 0.601326 GPRESSAVG: 569800 20.7917 39.061 -39.976 35.3679 -0.49342 -8.30065 -40.4011 -11.5117 2.45382 TIMING: 569800 CPU: 1794.36, 0.00314718/step Wall: 1794.36, 0.00314718/step, 3.87296 hours remaining, 235.082031 MB of memory in use. ENERGY: 569800 3917.7194 20585.1232 14551.0034 242.6118 -203291.2958 2617.0993 0.0000 0.0000 52338.8147 -109038.9241 300.7919 -161377.7387 -108681.3887 299.7595 119.1188 136.1121 762356.4705 7.6030 7.5840 PRESSURE: 570000 494.693 129.546 -51.4014 129.545 266.742 -160.58 -51.4012 -160.579 144.957 GPRESSURE: 570000 491.034 72.3845 -30.4839 88.0945 325.974 -104.636 -37.9188 -80.2351 153.18 PRESSAVG: 570000 -14.2351 -3.76259 -64.1141 -3.76253 42.2423 -40.1988 -64.1141 -40.1987 7.64795 GPRESSAVG: 570000 -13.4389 -2.7976 -65.3767 -3.36652 42.302 -39.9893 -64.0788 -36.1305 6.58668 TIMING: 570000 CPU: 1794.99, 0.00315112/step Wall: 1794.99, 0.00315112/step, 3.87763 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: 570000 3951.7212 20489.3144 14489.8900 258.7625 -203124.0742 2760.9842 0.0000 0.0000 52093.6649 -109079.7370 299.3830 -161173.4019 -108713.2917 299.4869 302.1308 323.3958 761799.5442 11.8851 11.8166 PRESSURE: 570200 444.109 3.9918 9.9117 3.99143 138.313 127.87 9.91184 127.871 -101.325 GPRESSURE: 570200 461.905 -2.58695 -21.1822 -43.4779 231.354 135.18 30.0108 100.71 -121.596 PRESSAVG: 570200 -47.6442 58.5317 -16.4462 58.5317 32.8069 -13.5352 -16.4463 -13.5352 14.1538 GPRESSAVG: 570200 -48.7857 59.0105 -15.5056 57.6707 33.2869 -16.0041 -16.6024 -14.393 14.4264 TIMING: 570200 CPU: 1795.62, 0.00315359/step Wall: 1795.62, 0.00315359/step, 3.88049 hours remaining, 235.082031 MB of memory in use. ENERGY: 570200 3969.3136 20433.5705 14474.9558 240.7822 -203699.3239 3117.5941 0.0000 0.0000 52093.1023 -109370.0053 299.3798 -161463.1076 -109003.2197 299.3786 160.3658 190.5542 759930.6149 -0.2278 -0.3575 PRESSURE: 570400 -318.59 2.44909 -46.443 2.44913 -213.897 180.945 -46.4433 180.945 -263.643 GPRESSURE: 570400 -315.92 -120.896 -93.2469 -11.9907 -172.7 102.648 -78.0878 187.792 -232.416 PRESSAVG: 570400 -8.33989 9.68178 -67.1458 9.68166 47.547 -41.3386 -67.1459 -41.3386 4.19001 GPRESSAVG: 570400 -8.0594 7.43786 -66.5536 9.92629 47.8879 -39.8465 -67.5024 -41.1688 3.70038 TIMING: 570400 CPU: 1796.26, 0.00317833/step Wall: 1796.26, 0.00317833/step, 3.91076 hours remaining, 235.082031 MB of memory in use. ENERGY: 570400 3921.6423 20461.5301 14484.9809 237.1525 -203184.3723 2350.6500 0.0000 0.0000 52235.2230 -109493.1935 300.1965 -161728.4165 -109114.3820 299.3740 -265.3767 -240.3455 761984.1937 14.4657 14.5096 PRESSURE: 570600 -17.3635 -178.943 -104.883 -178.943 256.949 -102.95 -104.884 -102.95 239.544 GPRESSURE: 570600 52.6697 -215.155 -42.1732 -123.47 323.314 -51.6924 -173.839 -112.332 192.123 PRESSAVG: 570600 -57.2631 8.75498 -1.64312 8.75502 86.1222 -44.938 -1.64309 -44.938 -4.98111 GPRESSAVG: 570600 -57.2016 9.30156 -2.40638 9.91476 86.156 -45.1143 -2.69129 -45.7697 -4.79325 TIMING: 570600 CPU: 1796.89, 0.00317515/step Wall: 1796.89, 0.00317515/step, 3.90667 hours remaining, 235.082031 MB of memory in use. ENERGY: 570600 3915.1932 20394.0370 14468.9834 259.3995 -203371.2560 2705.4445 0.0000 0.0000 52095.8881 -109532.3102 299.3958 -161628.1983 -109161.2618 298.5770 159.7098 189.3689 759959.4165 7.9593 8.0537 PRESSURE: 570800 -99.6929 145.84 60.2591 145.84 194.026 -366.635 60.2596 -366.635 158.81 GPRESSURE: 570800 -32.5104 153.608 35.4423 187.95 277.824 -257.479 232.794 -363.345 87.7186 PRESSAVG: 570800 -61.2981 48.7944 -11.2234 48.7944 45.9422 -65.7752 -11.2234 -65.7751 12.2643 GPRESSAVG: 570800 -60.5896 49.2555 -10.8973 47.2418 45.2474 -64.8298 -10.2052 -66.4794 11.9449 TIMING: 570800 CPU: 1797.52, 0.00315599/step Wall: 1797.52, 0.00315599/step, 3.88292 hours remaining, 235.082031 MB of memory in use. ENERGY: 570800 3990.7838 20295.6481 14481.4418 241.1887 -203127.1479 2402.7963 0.0000 0.0000 52386.3851 -109328.9040 301.0653 -161715.2891 -108957.6388 298.9870 84.3807 111.0108 761509.3850 -1.0305 -1.1324 PRESSURE: 571000 168.357 183 -65.9698 182.999 -273.514 85.8322 -65.97 85.831 -210.48 GPRESSURE: 571000 161.753 143.697 -147.776 249.851 -149.492 131.584 -136.86 160.007 -233.904 PRESSAVG: 571000 -4.43477 51.611 -27.0438 51.611 43.7641 -55.3059 -27.0438 -55.3058 15.427 GPRESSAVG: 571000 -4.86008 50.3817 -27.3335 52.4905 44.0596 -54.8537 -26.6449 -55.7133 15.6805 TIMING: 571000 CPU: 1798.15, 0.00315117/step Wall: 1798.15, 0.00315117/step, 3.87681 hours remaining, 235.082031 MB of memory in use. ENERGY: 571000 4030.8523 20364.4674 14558.7564 238.7500 -203146.6564 2473.0872 0.0000 0.0000 51977.5509 -109503.1921 298.7157 -161480.7430 -109142.9911 299.6061 -105.2124 -73.8810 762077.7282 18.2521 18.2933 PRESSURE: 571200 108.257 68.6212 -139.113 68.6213 37.8099 -150.804 -139.113 -150.804 -161.34 GPRESSURE: 571200 153.014 10.6555 -155.014 43.0472 -15.5271 -212.521 -76.9418 -182.122 -83.3094 PRESSAVG: 571200 50.5858 21.8544 -49.1011 21.8545 4.594 -22.2036 -49.101 -22.2036 -7.08181 GPRESSAVG: 571200 50.5536 23.1523 -48.7779 22.5145 4.1569 -22.2193 -49.1824 -22.5583 -6.39571 TIMING: 571200 CPU: 1798.79, 0.00319301/step Wall: 1798.79, 0.00319301/step, 3.92811 hours remaining, 235.082031 MB of memory in use. ENERGY: 571200 3912.0767 20587.7587 14475.5410 252.0328 -203321.4263 2592.0358 0.0000 0.0000 52062.4225 -109439.5586 299.2035 -161501.9812 -109076.8564 299.1915 -5.0912 18.0593 761624.9778 16.0327 16.1049 PRESSURE: 571400 -527.7 182.232 -113.581 182.231 110.211 32.0706 -113.582 32.0711 157.803 GPRESSURE: 571400 -403.789 87.3885 -216.518 81.3418 26.3385 14.7553 -30.4529 170.493 188.39 PRESSAVG: 571400 46.3557 60.1937 -8.86342 60.1938 -36.2678 60.7959 -8.86342 60.7958 -17.5623 GPRESSAVG: 571400 46.3221 57.1249 -12.0821 60.5827 -35.4956 59.5983 -7.26043 63.5804 -17.632 TIMING: 571400 CPU: 1799.43, 0.0031698/step Wall: 1799.43, 0.0031698/step, 3.89938 hours remaining, 235.082031 MB of memory in use. ENERGY: 571400 3937.8201 20540.3043 14442.7708 235.6041 -203259.4295 2716.0082 0.0000 0.0000 52084.3401 -109302.5820 299.3294 -161386.9221 -108939.0286 299.7062 -86.5620 -63.0200 762676.2610 -2.4915 -2.2685 PRESSURE: 571600 -353.781 95.7522 45.1199 95.7523 -316.58 48.2301 45.1208 48.2302 -31.22 GPRESSURE: 571600 -279.701 153.907 147.178 61.5464 -310.249 -8.3051 -24.1985 5.23449 -21.6111 PRESSAVG: 571600 11.8893 10.3058 -11.9845 10.3059 -2.23824 -56.9293 -11.9845 -56.9293 4.05642 GPRESSAVG: 571600 13.0036 13.2884 -7.69974 6.88222 -1.95031 -57.2621 -15.1374 -58.0708 2.63569 TIMING: 571600 CPU: 1800.06, 0.00319316/step Wall: 1800.06, 0.00319316/step, 3.92794 hours remaining, 235.082031 MB of memory in use. ENERGY: 571600 3957.8926 20502.2065 14485.0376 227.1742 -203148.5476 2710.8541 0.0000 0.0000 51921.7537 -109343.6290 298.3950 -161265.3827 -108978.4970 299.0804 -233.8604 -203.8537 762739.4552 4.5692 4.5630 PRESSURE: 571800 -244.805 57.1014 68.6233 57.1017 -336.532 -67.2006 68.6231 -67.2019 -35.1999 GPRESSURE: 571800 -149.328 -33.7532 97.3311 103.81 -310.02 -101.234 38.4118 -8.6105 -84.0052 PRESSAVG: 571800 13.4543 44.4307 47.4194 44.4307 -8.12114 -22.3948 47.4194 -22.3948 -29.4958 GPRESSAVG: 571800 12.7522 45.6641 45.5261 45.7755 -9.18843 -22.6651 47.79 -23.1855 -26.9757 TIMING: 571800 CPU: 1800.7, 0.00317247/step Wall: 1800.7, 0.00317247/step, 3.90231 hours remaining, 235.082031 MB of memory in use. ENERGY: 571800 3970.8483 20470.2202 14540.6369 256.6355 -203047.8034 2297.4112 0.0000 0.0000 52272.3801 -109239.6711 300.4101 -161512.0513 -108882.5282 299.6267 -205.5120 -181.1177 762157.8171 -8.0542 -7.8040 PRESSURE: 572000 107.206 -181.678 3.85821 -181.679 27.3477 -18.7581 3.85794 -18.7577 -1.06539 GPRESSURE: 572000 169.794 -163.141 -112.07 -164.098 92.3685 -45.1119 -74.9327 12.5781 -41.3428 PRESSAVG: 572000 36.22 -79.4384 24.8055 -79.4384 -21.8065 13.8178 24.8056 13.8178 21.2086 GPRESSAVG: 572000 36.7292 -81.237 24.0792 -77.8926 -20.3547 15.0004 26.1074 14.5911 20.4813 TIMING: 572000 CPU: 1801.34, 0.00319221/step Wall: 1801.34, 0.00319221/step, 3.92642 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: 572000 4058.1469 20574.3030 14455.6588 261.2506 -203454.1020 2873.4268 0.0000 0.0000 52446.0401 -108785.2759 301.4081 -161231.3160 -108418.7800 300.3134 44.4960 73.6066 762631.7129 11.8740 12.2853 PRESSURE: 572200 0.0748631 -52.8882 -39.1283 -52.8885 255.706 -185.78 -39.1285 -185.78 -140.365 GPRESSURE: 572200 -44.8054 -7.91991 -76.811 6.77974 242.139 10.7182 -16.0886 -73.3068 11.4728 PRESSAVG: 572200 0.212405 -62.3734 -1.40083 -62.3734 -66.1997 -32.8924 -1.40084 -32.8923 15.5675 GPRESSAVG: 572200 0.382308 -62.3587 -0.968961 -62.9886 -65.3922 -33.3011 -2.90167 -33.4221 15.1841 TIMING: 572200 CPU: 1801.97, 0.00318845/step Wall: 1801.97, 0.00318845/step, 3.92162 hours remaining, 235.082031 MB of memory in use. ENERGY: 572200 3960.2693 20573.3103 14502.1618 263.6658 -203675.6401 3045.0759 0.0000 0.0000 52510.9468 -108820.2103 301.7811 -161331.1571 -108456.2838 300.1702 38.4718 69.6021 762948.4080 -16.8066 -16.6086 LDB: ============= START OF LOAD BALANCING ============== 1814.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1814.43 LDB: =============== DONE WITH MIGRATION ================ 1814.43 LDB: ============= START OF LOAD BALANCING ============== 1814.75 LDB: Largest compute 7073 load 0.036616 is 18.8% of average load 0.194897 LDB: Average compute 0.004418 is 2.3% of average load 0.194897 LDB: TIME 1814.75 LOAD: AVG 0.194897 MAX 0.21386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.34 MB LDB: TIME 1814.75 LOAD: AVG 0.194897 MAX 0.21386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.34 MB LDB: TIME 1814.75 LOAD: AVG 0.194897 MAX 0.21386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.34 MB LDB: ============== END OF LOAD BALANCING =============== 1814.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1814.76 PRESSURE: 572400 30.0897 226.008 117.231 226.008 87.2913 43.5759 117.231 43.5752 202.715 GPRESSURE: 572400 132.411 170.043 135.449 312.476 115.82 16.6802 212.123 89.0489 161.185 PRESSAVG: 572400 5.93198 -29.1234 -19.0601 -29.1233 -43.4138 -16.4872 -19.0602 -16.4873 -15.0288 GPRESSAVG: 572400 6.30735 -28.9593 -19.985 -31.4913 -44.504 -15.1211 -16.5742 -14.5762 -14.1444 TIMING: 572400 CPU: 1802.62, 0.00324963/step Wall: 1802.62, 0.00324963/step, 3.99668 hours remaining, 236.882812 MB of memory in use. ENERGY: 572400 3990.0533 20524.8627 14522.7607 227.3449 -203007.0226 2707.8587 0.0000 0.0000 52107.0037 -108927.1387 299.4597 -161034.1424 -108573.9612 299.8596 106.6987 136.4718 763268.9936 -17.5035 -17.4470 PRESSURE: 572600 102.748 -7.37198 -69.4639 -7.37166 -241.573 -125.055 -69.465 -125.055 -116.679 GPRESSURE: 572600 183.265 -50.4062 -23.1297 103.74 -282.666 -135.659 67.3945 -184.833 -69.438 PRESSAVG: 572600 12.9124 2.29072 -2.6298 2.29073 7.8319 -7.79597 -2.62984 -7.796 16.0197 GPRESSAVG: 572600 12.5692 3.0045 -1.17542 6.1949 8.87497 -9.92797 -2.67232 -10.6498 14.5991 TIMING: 572600 CPU: 1803.26, 0.00316569/step Wall: 1803.26, 0.00316569/step, 3.89327 hours remaining, 236.882812 MB of memory in use. ENERGY: 572600 4097.2549 20470.1591 14511.1089 247.3922 -203392.0408 2817.5873 0.0000 0.0000 52265.2269 -108983.3116 300.3690 -161248.5385 -108630.3447 300.1264 -85.1680 -56.2799 762671.8367 12.2546 12.0144 PRESSURE: 572800 -74.0729 -115.469 -74.8541 -115.468 -260.535 -94.9759 -74.8539 -94.9765 147.71 GPRESSURE: 572800 -27.6701 -97.9952 -85.8577 -34.5821 -189.79 -71.8999 -84.1582 -37.8688 141.019 PRESSAVG: 572800 38.3912 -11.2849 -11.5386 -11.285 2.42886 0.378548 -11.5385 0.378668 0.83678 GPRESSAVG: 572800 39.1176 -9.46145 -13.7225 -13.4675 1.32331 1.32859 -11.6052 0.330631 1.37571 TIMING: 572800 CPU: 1803.89, 0.00318555/step Wall: 1803.89, 0.00318555/step, 3.91752 hours remaining, 236.882812 MB of memory in use. ENERGY: 572800 3909.3065 20468.6656 14544.5152 266.9571 -203605.8700 2763.0255 0.0000 0.0000 52361.5807 -109291.8194 300.9227 -161653.4001 -108925.9192 300.0327 -62.2992 -25.4803 761181.1612 13.8856 13.9389 PRESSURE: 573000 70.1958 -3.76791 120.895 -3.76732 -99.3282 103.562 120.895 103.563 152.049 GPRESSURE: 573000 27.4704 -0.212464 -28.6367 63.8559 -77.3843 96.7486 119.723 74.8163 261.356 PRESSAVG: 573000 -16.2075 1.40926 28.6646 1.40924 -70.3471 17.2103 28.6646 17.2103 -6.50379 GPRESSAVG: 573000 -17.0813 0.880491 30.1169 1.99037 -70.5586 15.8344 26.6675 18.4986 -5.54542 TIMING: 573000 CPU: 1804.53, 0.00317447/step Wall: 1804.53, 0.00317447/step, 3.90371 hours remaining, 236.882812 MB of memory in use. ENERGY: 573000 3951.0530 20526.0744 14510.9701 246.2698 -203488.1425 2707.6081 0.0000 0.0000 52123.3751 -109422.7920 299.5538 -161546.1671 -109074.4389 299.4168 40.9723 70.4807 761388.0733 -31.0195 -31.0618 PRESSURE: 573200 350.389 -20.1669 -117.211 -20.1668 -117.369 0.340602 -117.211 0.33964 -135.272 GPRESSURE: 573200 438.461 -103.536 -145.86 -29.9972 -62.5961 -130 -52.9134 28.1528 -204.127 PRESSAVG: 573200 -12.2323 -30.5123 -8.0528 -30.5124 30.49 -19.7788 -8.05273 -19.7789 0.925988 GPRESSAVG: 573200 -11.9442 -32.5673 -10.3042 -29.9406 31.1538 -19.1945 -6.17405 -19.0734 -0.478644 TIMING: 573200 CPU: 1805.17, 0.00320094/step Wall: 1805.17, 0.00320094/step, 3.93609 hours remaining, 236.882812 MB of memory in use. ENERGY: 573200 4014.0380 20483.4422 14491.7303 254.4066 -203446.9623 2757.3657 0.0000 0.0000 51982.4735 -109463.5060 298.7440 -161445.9794 -109113.9588 299.3247 32.5827 57.2457 759394.6859 6.3946 6.2436 PRESSURE: 573400 80.0077 -85.2745 -88.6871 -85.275 -26.233 -10.7504 -88.6863 -10.7501 -10.7248 GPRESSURE: 573400 145.585 -0.649516 -107.706 -72.3477 20.7308 16.539 -17.7656 -23.7862 -47.5695 PRESSAVG: 573400 -40.4756 11.5031 -28.1633 11.503 16.7667 26.2721 -28.1633 26.2721 -12.7015 GPRESSAVG: 573400 -39.4012 13.3185 -27.971 9.39114 15.6658 26.3376 -27.991 26.4723 -12.1751 TIMING: 573400 CPU: 1805.81, 0.00318574/step Wall: 1805.81, 0.00318574/step, 3.91722 hours remaining, 236.882812 MB of memory in use. ENERGY: 573400 3892.2288 20390.8713 14434.5413 243.3578 -203355.8602 2566.4176 0.0000 0.0000 52117.7544 -109710.6890 299.5215 -161828.4434 -109339.1301 298.5438 14.3500 39.5822 760796.4163 -12.1368 -11.9702 PRESSURE: 573600 -268.501 73.4391 -219.982 73.4395 -65.3205 -74.7709 -219.982 -74.7716 104.217 GPRESSURE: 573600 -162.585 155.979 -272.371 -28.7647 -98.256 -0.911409 -153.91 -118.766 117.786 PRESSAVG: 573600 -52.9431 5.66923 3.68868 5.66918 91.7225 -35.6139 3.68865 -35.6139 -2.22705 GPRESSAVG: 573600 -52.1306 2.6626 5.46625 8.63274 91.0868 -35.5965 1.41976 -35.1063 -1.85348 TIMING: 573600 CPU: 1806.44, 0.00317701/step Wall: 1806.44, 0.00317701/step, 3.90631 hours remaining, 236.882812 MB of memory in use. ENERGY: 573600 3983.6024 20406.4171 14510.0513 250.0357 -203454.4244 2759.6826 0.0000 0.0000 52016.4811 -109528.1541 298.9394 -161544.6352 -109158.2150 298.2927 -76.5350 -47.6851 762369.9659 12.1841 12.3676 PRESSURE: 573800 205.455 -64.6796 -213.515 -64.6805 -140.978 271.924 -213.515 271.924 -72.585 GPRESSURE: 573800 215.201 62.4301 -142.496 -92.6127 -91.328 131.972 -146.425 305.948 -39.4931 PRESSAVG: 573800 13.8426 -13.8081 22.9838 -13.8081 16.8913 -8.14669 22.9838 -8.14672 2.77381 GPRESSAVG: 573800 12.0425 -10.1862 22.4739 -15.4492 18.1063 -7.75888 25.5176 -9.01946 3.33941 TIMING: 573800 CPU: 1807.08, 0.00318526/step Wall: 1807.08, 0.00318526/step, 3.91628 hours remaining, 236.882812 MB of memory in use. ENERGY: 573800 3967.7946 20492.0466 14479.0555 248.9125 -203880.2520 2966.1308 0.0000 0.0000 52152.2409 -109574.0711 299.7196 -161726.3119 -109214.8347 298.9280 -2.7027 28.1266 760493.3355 11.1692 11.1627 PRESSURE: 574000 -215.662 95.2317 215.23 95.2315 -308.832 -208.274 215.231 -208.274 -237.82 GPRESSURE: 574000 -137.277 84.0957 281.755 76.9558 -363.103 -220.985 167.225 -97.504 -182.043 PRESSAVG: 574000 -83.4535 -15.2255 12.3397 -15.2255 71.0658 -28.1044 12.3397 -28.1044 -11.8389 GPRESSAVG: 574000 -81.3974 -16.886 13.1602 -15.9832 70.1378 -28.9741 11.9746 -26.0635 -13.4133 TIMING: 574000 CPU: 1807.72, 0.00318493/step Wall: 1807.72, 0.00318493/step, 3.9157 hours remaining, 236.882812 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: 574000 3926.9983 20480.2047 14463.0959 254.6187 -203245.2684 2606.8178 0.0000 0.0000 51840.1130 -109673.4200 297.9258 -161513.5330 -109316.0128 298.6027 -254.1044 -227.4745 763455.3278 -8.0755 -8.2243 PRESSURE: 574200 -246.637 167.424 -27.3269 167.424 -150.93 75.7227 -27.3269 75.7227 4.39649 GPRESSURE: 574200 -255.59 77.9816 -79.0699 133.251 -74.1232 21.4371 0.327455 87.6507 30.8534 PRESSAVG: 574200 -18.856 -27.8275 -19.1304 -27.8274 56.3992 -24.5016 -19.1305 -24.5016 29.2776 GPRESSAVG: 574200 -20.2024 -27.3394 -19.9254 -26.8524 58.0998 -24.6601 -20.8331 -28.4689 29.1368 TIMING: 574200 CPU: 1808.35, 0.00315972/step Wall: 1808.35, 0.00315972/step, 3.88452 hours remaining, 236.882812 MB of memory in use. ENERGY: 574200 3954.4763 20685.9289 14474.1968 242.4085 -203342.2877 2712.3939 0.0000 0.0000 51725.5426 -109547.3406 297.2674 -161272.8832 -109196.7740 298.7202 -131.0567 -99.6200 762794.2151 22.2736 22.3447 PRESSURE: 574400 -23.1378 191.084 160.405 191.085 246.283 21.3547 160.405 21.3548 291.542 GPRESSURE: 574400 74.5602 237.485 138.978 64.1927 171.527 30.7604 116.703 -63.5723 352.5 PRESSAVG: 574400 -2.09241 -30.1186 47.7651 -30.1187 15.06 16.0349 47.7651 16.035 -2.86325 GPRESSAVG: 574400 -2.39853 -30.5534 48.1066 -30.4205 13.9917 16.459 48.2337 17.9679 -1.16311 TIMING: 574400 CPU: 1808.98, 0.0031739/step Wall: 1808.98, 0.0031739/step, 3.90178 hours remaining, 236.882812 MB of memory in use. ENERGY: 574400 3992.3907 20551.6690 14503.8106 252.7442 -203573.7541 2695.1531 0.0000 0.0000 52035.2374 -109542.7490 299.0472 -161577.9865 -109187.1658 298.8656 171.5623 199.5292 761434.9391 3.3681 3.4767 PRESSURE: 574600 -273.136 -26.904 396.795 -26.9043 382.803 -58.8108 396.795 -58.8111 -393.652 GPRESSURE: 574600 -303.994 -39.2621 455.419 -6.82814 434.344 -122.322 300.982 -18.3441 -340.105 PRESSAVG: 574600 25.3186 -17.0949 -32.509 -17.0949 -43.3782 4.02636 -32.509 4.02643 -17.6748 GPRESSAVG: 574600 25.9356 -16.3829 -33.819 -16.5505 -43.2329 4.35642 -31.8803 2.47802 -17.7935 TIMING: 574600 CPU: 1809.62, 0.00318124/step Wall: 1809.62, 0.00318124/step, 3.91063 hours remaining, 236.882812 MB of memory in use. ENERGY: 574600 4022.1990 20403.7706 14472.7494 269.4204 -203132.0460 2733.4316 0.0000 0.0000 51877.9403 -109352.5346 298.1432 -161230.4750 -108991.1720 298.9599 -94.6619 -69.9183 762548.0625 -11.9115 -11.6970 PRESSURE: 574800 -11.0029 13.9299 -104.025 13.9297 29.9372 -21.8611 -104.025 -21.86 187.641 GPRESSURE: 574800 -15.254 79.8516 -100.253 36.5046 41.1523 -27.0157 -68.2754 25.737 251.44 PRESSAVG: 574800 -35.6625 -61.2665 39.5669 -61.2665 15.9049 -17.2646 39.5669 -17.2646 2.08586 GPRESSAVG: 574800 -35.1953 -62.1906 40.1627 -61.2183 15.9192 -17.0794 39.0279 -17.5957 2.05005 TIMING: 574800 CPU: 1810.26, 0.00319035/step Wall: 1810.26, 0.00319035/step, 3.92165 hours remaining, 236.882812 MB of memory in use. ENERGY: 574800 4007.9783 20512.1243 14477.1334 249.3029 -203174.3952 2460.2670 0.0000 0.0000 52178.3794 -109289.2097 299.8699 -161467.5891 -108933.7444 299.0231 68.8586 92.4460 761044.0296 -5.8906 -5.7420 PRESSURE: 575000 -19.7637 0.650366 -59.8627 0.649214 193.735 -137.036 -59.8624 -137.038 440.121 GPRESSURE: 575000 11.2993 36.7061 -78.1382 -108.207 257.785 -165.333 -117.848 -101.411 422.217 PRESSAVG: 575000 -8.19532 18.5652 -34.4405 18.5652 12.5731 1.56953 -34.4406 1.56947 12.1402 GPRESSAVG: 575000 -9.07319 18.0715 -34.2015 16.7953 13.4551 1.20857 -33.2641 4.28946 12.0445 TIMING: 575000 CPU: 1810.89, 0.00316813/step Wall: 1810.89, 0.00316813/step, 3.89416 hours remaining, 236.882812 MB of memory in use. ENERGY: 575000 3994.2448 20629.2300 14440.1444 263.8098 -203479.6372 2874.7090 0.0000 0.0000 51605.9132 -109671.5861 296.5799 -161277.4992 -109310.5526 298.8775 204.6974 230.4339 761935.4519 5.5060 5.4755 PRESSURE: 575200 317.985 -94.3226 77.3783 -94.3227 50.5892 -59.539 77.3788 -59.5396 -190.759 GPRESSURE: 575200 407.167 -164.652 86.8773 113.28 23.927 -58.4042 49.1981 -23.8212 -159.062 PRESSAVG: 575200 35.7298 -11.6829 -47.4777 -11.6829 -13.7193 -53.8816 -47.4778 -53.8816 -3.39146 GPRESSAVG: 575200 36.4152 -11.0364 -45.7459 -10.2483 -15.396 -54.4801 -48.8629 -54.8586 -2.36499 TIMING: 575200 CPU: 1811.52, 0.0031679/step Wall: 1811.52, 0.0031679/step, 3.8937 hours remaining, 236.882812 MB of memory in use. ENERGY: 575200 3972.0992 20404.2703 14490.6436 250.0667 -203417.6584 2756.7728 0.0000 0.0000 51999.4694 -109544.3366 298.8417 -161543.8060 -109183.3357 298.2201 59.2714 90.6771 761751.6576 6.2064 6.2181 PRESSURE: 575400 261.378 79.2869 16.2594 79.2867 -217.452 -139.707 16.2592 -139.708 349.654 GPRESSURE: 575400 241.324 113.311 -28.7786 -36.0572 -115.121 -104.103 53.1451 -41.8605 355.302 PRESSAVG: 575400 10.0824 -6.3176 -6.5148 -6.31756 -33.5898 1.99561 -6.51481 1.99566 -5.57351 GPRESSAVG: 575400 10.2599 -7.60481 -9.58749 -7.60522 -32.4307 1.47767 -6.77489 3.08549 -6.91559 TIMING: 575400 CPU: 1812.16, 0.00316575/step Wall: 1812.16, 0.00316575/step, 3.89089 hours remaining, 236.882812 MB of memory in use. ENERGY: 575400 3931.4002 20433.6499 14518.3287 240.6760 -203415.1955 2680.5852 0.0000 0.0000 52093.8500 -109516.7054 299.3841 -161610.5554 -109149.9324 298.3905 131.1934 160.5015 761004.2626 -9.6936 -9.6955 PRESSURE: 575600 -121.264 33.8742 56.9926 33.8747 65.8275 55.7163 56.9924 55.7171 -470.201 GPRESSURE: 575600 -105.223 39.6008 68.5729 83.3397 95.7995 7.09279 139.222 -21.6739 -443.404 PRESSAVG: 575600 31.2859 56.2413 2.88199 56.2413 51.2991 44.1663 2.882 44.1663 2.04922 GPRESSAVG: 575600 31.4397 57.2108 3.6181 56.9346 50.634 42.9431 6.15968 44.7324 2.5398 TIMING: 575600 CPU: 1812.79, 0.00318156/step Wall: 1812.79, 0.00318156/step, 3.91014 hours remaining, 236.882812 MB of memory in use. ENERGY: 575600 3988.3630 20520.5093 14469.1033 226.3459 -203302.4053 2421.2355 0.0000 0.0000 52158.6938 -109518.1545 299.7567 -161676.8483 -109163.4586 298.5229 -175.2126 -150.9424 760384.2239 28.2114 28.2045 PRESSURE: 575800 19.0725 -123.927 -247.099 -123.928 -513.823 -61.1337 -247.098 -61.1333 22.7954 GPRESSURE: 575800 -96.0006 -173.255 -201.5 -112.26 -347.881 -28.0757 -283.577 -63.0271 32.7324 PRESSAVG: 575800 16.8988 11.7206 -34.6472 11.7207 4.16764 -28.7626 -34.6472 -28.7626 -10.1869 GPRESSAVG: 575800 15.3402 10.5891 -34.7264 12.5897 4.92661 -27.0296 -35.9906 -29.7772 -10.039 TIMING: 575800 CPU: 1813.43, 0.00315955/step Wall: 1813.43, 0.00315955/step, 3.88291 hours remaining, 236.882812 MB of memory in use. ENERGY: 575800 4012.6816 20530.3862 14463.1875 252.7371 -203083.3058 2325.5498 0.0000 0.0000 52125.0642 -109373.6995 299.5635 -161498.7636 -109007.0306 299.3598 -157.3183 -137.0496 761387.5889 3.6265 3.4092 PRESSURE: 576000 -186.38 88.7269 34.2319 88.7271 -462.31 -6.46372 34.2313 -6.46281 -485.068 GPRESSURE: 576000 -107.393 23.6333 64.2985 239.14 -472.423 56.246 85.3928 127.1 -476.156 PRESSAVG: 576000 28.3426 14.4541 -40.0827 14.4541 -44.8211 -39.2068 -40.0827 -39.2068 8.97546 GPRESSAVG: 576000 28.1316 13.6953 -39.1386 13.3701 -43.9805 -39.3154 -40.8745 -38.3173 8.10971 TIMING: 576000 CPU: 1814.06, 0.00318434/step Wall: 1814.06, 0.00318434/step, 3.9132 hours remaining, 236.882812 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: 576000 4117.8701 20534.6282 14407.8926 241.7847 -203645.8334 2676.1835 0.0000 0.0000 52086.0672 -109581.4070 299.3393 -161667.4743 -109221.9272 298.9730 -377.9190 -351.9905 762599.1968 -2.5010 -2.5797 PRESSURE: 576200 68.1152 -15.6269 222.789 -15.6268 -212.121 -95.6737 222.789 -95.6745 71.3126 GPRESSURE: 576200 145.113 -54.0129 233.887 -2.01187 -167.886 -56.7253 231.986 -44.1483 26.03 PRESSAVG: 576200 56.799 -49.0008 -10.408 -49.0008 -47.7485 -24.8086 -10.408 -24.8085 13.5734 GPRESSAVG: 576200 58.6668 -48.6895 -10.0611 -47.1936 -49.9524 -23.7567 -11.1859 -27.4873 14.2752 TIMING: 576200 CPU: 1814.7, 0.00318784/step Wall: 1814.7, 0.00318784/step, 3.91732 hours remaining, 236.882812 MB of memory in use. ENERGY: 576200 3964.4782 20534.0358 14423.4098 262.7962 -203725.0820 2740.9245 0.0000 0.0000 52050.9788 -109748.4587 299.1377 -161799.4375 -109395.7592 299.0435 -24.2312 1.0858 761861.9967 7.5413 7.6632 LDB: ============= START OF LOAD BALANCING ============== 1827.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1827.15 LDB: =============== DONE WITH MIGRATION ================ 1827.15 LDB: ============= START OF LOAD BALANCING ============== 1827.47 LDB: Largest compute 7026 load 0.037049 is 19.0% of average load 0.194876 LDB: Average compute 0.004408 is 2.3% of average load 0.194876 LDB: TIME 1827.48 LOAD: AVG 0.194876 MAX 0.215981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.625 MB LDB: TIME 1827.48 LOAD: AVG 0.194876 MAX 0.215981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 1827.48 LOAD: AVG 0.194876 MAX 0.215981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 1827.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1827.48 PRESSURE: 576400 188.665 -153.42 -12.878 -153.42 -436.368 -228.338 -12.8776 -228.338 154.204 GPRESSURE: 576400 213.708 -47.7218 -69.233 -265.272 -446.897 -226.086 39.3481 -133.62 223.915 PRESSAVG: 576400 33.5234 5.0314 -26.0176 5.03145 -13.7052 -2.43189 -26.0175 -2.43188 10.2757 GPRESSAVG: 576400 33.481 6.13418 -26.738 3.62825 -13.9343 -2.9431 -25.1031 -2.16986 10.7216 TIMING: 576400 CPU: 1815.35, 0.00324112/step Wall: 1815.35, 0.00324112/step, 3.98262 hours remaining, 234.570312 MB of memory in use. ENERGY: 576400 4015.1377 20560.8969 14513.4871 262.9485 -203530.1070 2591.6267 0.0000 0.0000 51944.3553 -109641.6548 298.5249 -161586.0100 -109270.0371 298.6217 -31.1664 -3.0913 759850.1909 10.0313 10.0894 PRESSURE: 576600 -121.932 75.431 -27.0702 75.4306 -253.934 -5.25161 -27.0705 -5.25169 499.786 GPRESSURE: 576600 -94.0166 35.0505 -35.6376 -16.5234 -160.103 -29.315 37.6535 -109.845 456.392 PRESSAVG: 576600 38.773 46.5351 -31.9779 46.535 -27.3005 -21.1436 -31.978 -21.1436 10.5336 GPRESSAVG: 576600 36.4551 46.8547 -33.5492 48.4283 -24.8548 -21.9461 -31.8185 -20.9627 10.5221 TIMING: 576600 CPU: 1815.99, 0.0031854/step Wall: 1815.99, 0.0031854/step, 3.91397 hours remaining, 234.773438 MB of memory in use. ENERGY: 576600 3924.7162 20794.1461 14544.6243 251.1229 -203412.1294 2358.9073 0.0000 0.0000 51848.3948 -109690.2177 297.9734 -161538.6125 -109317.2438 298.6442 41.3068 67.4242 761592.0539 7.3353 7.3741 PRESSURE: 576800 60.1591 -76.1764 -170.761 -76.1759 153.489 260.845 -170.76 260.845 177.759 GPRESSURE: 576800 127.431 38.5732 -164.924 -90.3353 188.161 210.274 -265.33 317.131 170.344 PRESSAVG: 576800 35.1104 26.4212 -45.9912 26.4212 -60.3493 60.8843 -45.9912 60.8843 20.6595 GPRESSAVG: 576800 36.1487 26.821 -44.3087 23.9336 -60.9011 59.1303 -45.556 63.1598 19.9573 TIMING: 576800 CPU: 1816.62, 0.00316876/step Wall: 1816.62, 0.00316876/step, 3.89335 hours remaining, 234.773438 MB of memory in use. ENERGY: 576800 3905.5233 20587.0070 14488.2133 242.0351 -203692.8434 2651.3973 0.0000 0.0000 51995.7819 -109822.8855 298.8205 -161818.6674 -109456.9142 298.5565 130.4690 161.9786 760975.7352 -1.5265 -1.5984 PRESSURE: 577000 -437.598 173.981 40.4079 173.981 105.211 118.045 40.4078 118.045 -55.3946 GPRESSURE: 577000 -380.092 109.62 109.745 151.403 106.97 57.3805 -2.55071 79.5492 -22.9646 PRESSAVG: 577000 -29.4934 38.9935 -20.1967 38.9934 13.7746 29.5706 -20.1968 29.5707 12.7403 GPRESSAVG: 577000 -28.7273 37.4274 -21.2662 39.7595 11.8119 32.1336 -19.168 28.0993 14.084 TIMING: 577000 CPU: 1817.25, 0.00316811/step Wall: 1817.25, 0.00316811/step, 3.89237 hours remaining, 234.773438 MB of memory in use. ENERGY: 577000 3980.8632 20573.1669 14500.7190 246.2883 -203251.9251 2462.3949 0.0000 0.0000 51713.5115 -109774.9813 297.1983 -161488.4928 -109417.9913 298.1959 -129.2604 -98.6954 762986.8898 -0.9928 -0.9438 PRESSURE: 577200 40.8377 -175.707 -85.9271 -175.707 -181.502 -16.1346 -85.9268 -16.1355 -311.289 GPRESSURE: 577200 67.4741 -201.115 -37.1107 -132.063 -148.143 16.9953 -71.7942 -8.76609 -298.914 PRESSAVG: 577200 16.406 50.2303 24.4454 50.2303 -30.6052 -12.814 24.4453 -12.814 -1.8662 GPRESSAVG: 577200 17.5126 51.8981 26.3347 47.5117 -30.4935 -13.672 24.4288 -12.3853 -3.01496 TIMING: 577200 CPU: 1817.89, 0.00317047/step Wall: 1817.89, 0.00317047/step, 3.8951 hours remaining, 234.773438 MB of memory in use. ENERGY: 577200 3938.9017 20743.6441 14564.5450 249.1131 -203392.4658 2484.8644 0.0000 0.0000 51815.2207 -109596.1768 297.7828 -161411.3975 -109239.8378 298.2714 -150.6509 -126.5276 760067.4049 -5.3551 -5.3320 PRESSURE: 577400 125.635 121.313 18.5324 121.314 -141.918 -38.481 18.5321 -38.4804 124.597 GPRESSURE: 577400 155.185 115.99 16.2487 202.283 -136.482 -156.79 27.9905 0.280913 146.176 PRESSAVG: 577400 82.3072 22.4044 48.0886 22.4044 -97.292 -67.894 48.0886 -67.8941 21.2496 GPRESSAVG: 577400 80.7489 22.6889 46.6775 23.7164 -96.0097 -68.1771 46.9584 -67.8876 21.208 TIMING: 577400 CPU: 1818.52, 0.00315006/step Wall: 1818.52, 0.00315006/step, 3.86985 hours remaining, 234.773438 MB of memory in use. ENERGY: 577400 3940.5257 20612.9138 14500.4181 242.5659 -203669.5591 2691.4898 0.0000 0.0000 51933.5461 -109748.0998 298.4628 -161681.6458 -109385.7894 298.8815 36.1048 54.9598 761046.0866 2.0883 1.9824 PRESSURE: 577600 66.4199 -349.896 128.851 -349.895 68.0398 62.2646 128.851 62.2637 -187.351 GPRESSURE: 577600 127.027 -411.652 203.254 -340.78 45.2797 39.5964 36.2326 -129.349 -150.366 PRESSAVG: 577600 80.9797 -13.2171 -15.7327 -13.2172 -44.6302 5.49007 -15.7326 5.49009 -25.7229 GPRESSAVG: 577600 80.6686 -15.3303 -14.0328 -12.4078 -45.4073 5.09026 -15.3747 3.73469 -24.7146 TIMING: 577600 CPU: 1819.15, 0.00316889/step Wall: 1819.15, 0.00316889/step, 3.8928 hours remaining, 234.773438 MB of memory in use. ENERGY: 577600 4002.2679 20576.3719 14446.7545 246.0761 -203838.9980 2759.4815 0.0000 0.0000 52008.3611 -109799.6848 298.8928 -161808.0459 -109440.5570 298.5630 -17.6306 7.3139 761296.2705 3.5422 3.5155 PRESSURE: 577800 101.103 -115.272 98.3964 -115.273 -437.158 271.18 98.3964 271.18 246.023 GPRESSURE: 577800 11.5563 -49.6511 94.0138 -67.403 -229.473 281.455 100.245 216.023 210.927 PRESSAVG: 577800 63.3953 -27.4447 18.0396 -27.4446 -66.5302 35.2759 18.0395 35.2759 -6.23381 GPRESSAVG: 577800 63.7838 -26.1318 16.3867 -29.0477 -65.8128 35.9815 16.6002 37.7779 -7.04718 TIMING: 577800 CPU: 1819.79, 0.00318524/step Wall: 1819.79, 0.00318524/step, 3.91272 hours remaining, 234.773438 MB of memory in use. ENERGY: 577800 3949.0796 20555.7010 14473.9630 235.6309 -203448.9529 2651.0234 0.0000 0.0000 52050.1359 -109533.4191 299.1328 -161583.5550 -109166.4085 298.7247 -30.0106 -2.3300 762123.6000 -3.1229 -3.0254 PRESSURE: 578000 -1.1051 -121.27 -52.6406 -121.27 11.395 -61.8691 -52.6402 -61.8688 -166.501 GPRESSURE: 578000 29.556 -49.3712 -69.5271 -8.32953 13.342 -101.772 4.14153 28.8729 -106.931 PRESSAVG: 578000 61.9456 -27.93 48.3052 -27.93 -53.2846 44.0517 48.3052 44.0518 -11.2568 GPRESSAVG: 578000 61.5337 -27.7096 48.584 -27.9326 -52.7119 43.8355 48.7764 43.7606 -11.2333 TIMING: 578000 CPU: 1820.43, 0.0031919/step Wall: 1820.43, 0.0031919/step, 3.92072 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: 578000 3982.5008 20717.2720 14481.2037 243.0233 -203481.4003 2517.8874 0.0000 0.0000 51964.1026 -109575.4104 298.6384 -161539.5130 -109217.6355 298.6322 -52.0703 -21.3443 761432.7891 -0.8653 -0.8039 PRESSURE: 578200 -184.018 61.31 32.027 61.31 547.518 210.324 32.0272 210.324 -112.449 GPRESSURE: 578200 -121.24 7.93731 168.071 105.524 477.569 175.21 0.987662 300.16 -11.8038 PRESSAVG: 578200 8.2487 14.8625 -6.2526 14.8625 -3.99936 11.5399 -6.25253 11.5399 28.1368 GPRESSAVG: 578200 6.63621 14.6712 -6.883 15.1487 -3.25221 13.1368 -5.01656 9.50781 28.7094 TIMING: 578200 CPU: 1821.06, 0.00317837/step Wall: 1821.06, 0.00317837/step, 3.90392 hours remaining, 234.773438 MB of memory in use. ENERGY: 578200 4052.8521 20587.0855 14525.5278 264.2879 -203893.9036 2876.9654 0.0000 0.0000 52059.0225 -109528.1623 299.1839 -161587.1848 -109166.6989 299.0515 83.6835 114.8420 760139.4519 10.7954 10.6978 PRESSURE: 578400 161.174 -34.7755 96.3672 -34.7754 -85.2776 -89.4872 96.3663 -89.4867 540.36 GPRESSURE: 578400 228.69 -47.1135 83.8891 89.4479 -77.2961 -68.9405 124.575 -216.995 535.279 PRESSAVG: 578400 -26.4091 15.2232 41.0359 15.2233 36.5848 26.6845 41.0359 26.6844 18.7812 GPRESSAVG: 578400 -25.6522 16.8101 40.0631 16.7384 36.0184 26.4775 40.6236 25.3851 18.7299 TIMING: 578400 CPU: 1821.69, 0.00316097/step Wall: 1821.69, 0.00316097/step, 3.88237 hours remaining, 234.773438 MB of memory in use. ENERGY: 578400 4036.4895 20561.3035 14543.9018 229.0473 -203826.5553 2771.5549 0.0000 0.0000 52019.2829 -109664.9755 298.9555 -161684.2583 -109308.3967 298.8187 205.4188 228.8909 760041.5521 9.6523 9.6987 PRESSURE: 578600 13.1754 136.746 -14.009 136.745 -233.31 -108.322 -14.0087 -108.321 12.5008 GPRESSURE: 578600 -74.1652 77.307 50.6012 79.3391 -169.14 -102.45 -41.523 -71.6252 114.885 PRESSAVG: 578600 9.36662 -25.5274 -31.0587 -25.5274 -33.6217 -36.3954 -31.0586 -36.3954 -3.74625 GPRESSAVG: 578600 8.60889 -27.8573 -28.5769 -25.5951 -33.8119 -36.2005 -30.9736 -35.398 -2.99694 TIMING: 578600 CPU: 1822.32, 0.0031517/step Wall: 1822.32, 0.0031517/step, 3.87081 hours remaining, 234.773438 MB of memory in use. ENERGY: 578600 3973.1090 20781.9512 14481.0790 267.6934 -203863.1437 2771.2246 0.0000 0.0000 52230.1386 -109357.9479 300.1673 -161588.0864 -109001.3925 299.3115 -69.2112 -42.8067 761082.8161 -9.3338 -9.4000 PRESSURE: 578800 -35.145 198.48 -18.6687 198.48 -16.5499 165.368 -18.669 165.368 1.81005 GPRESSURE: 578800 -10.372 204.301 -38.8841 140.358 47.7991 181.639 -45.2364 167.712 9.70305 PRESSAVG: 578800 31.4034 -21.8585 -8.53998 -21.8585 4.84276 -1.48333 -8.53994 -1.48336 -3.23986 GPRESSAVG: 578800 33.75 -23.3529 -10.7268 -23.7229 3.70701 -0.619497 -8.9834 -1.41551 -4.78896 TIMING: 578800 CPU: 1822.96, 0.00316075/step Wall: 1822.96, 0.00316075/step, 3.88176 hours remaining, 234.773438 MB of memory in use. ENERGY: 578800 4065.4894 20622.8886 14439.0632 231.5839 -203407.9455 2769.4650 0.0000 0.0000 51996.5759 -109282.8795 298.8250 -161279.4554 -108923.3469 300.2153 -16.6283 15.7100 760807.6886 11.0021 10.8893 PRESSURE: 579000 314.735 146.377 16.5987 146.377 -244.876 74.6715 16.5981 74.6713 -157.917 GPRESSURE: 579000 386.694 106.333 63.4381 303.905 -225.186 74.1026 -32.4141 106.787 -165.285 PRESSAVG: 579000 80.3032 32.368 13.7674 32.368 -59.1238 44.6742 13.7675 44.6742 29.1806 GPRESSAVG: 579000 78.7804 34.7645 15.4138 33.1842 -59.6761 43.2091 14.3717 46.517 30.0458 TIMING: 579000 CPU: 1823.59, 0.00315352/step Wall: 1823.59, 0.00315352/step, 3.8727 hours remaining, 234.773438 MB of memory in use. ENERGY: 579000 3990.4364 20523.2053 14540.6947 236.6633 -203541.9097 2756.5646 0.0000 0.0000 52052.5445 -109441.8008 299.1467 -161494.3453 -109079.4866 299.2244 -29.3530 -1.2590 761526.4827 16.7867 16.3834 PRESSURE: 579200 -170.336 -7.5521 110.767 -7.55201 -132.166 269.209 110.767 269.207 189.465 GPRESSURE: 579200 -46.7687 100.879 116.248 -60.8039 -195.582 309.675 130.878 344.087 206.049 PRESSAVG: 579200 21.4812 16.3268 -24.5674 16.3268 9.10288 63.7133 -24.5674 63.7133 -10.9428 GPRESSAVG: 579200 22.0617 16.1756 -24.5055 18.6486 8.62394 63.8566 -25.5962 63.118 -10.6253 TIMING: 579200 CPU: 1824.22, 0.00315483/step Wall: 1824.22, 0.00315483/step, 3.87413 hours remaining, 234.773438 MB of memory in use. ENERGY: 579200 4004.9584 20524.0091 14523.7428 254.5628 -203249.1171 2544.8488 0.0000 0.0000 52133.1608 -109263.8345 299.6100 -161396.9952 -108893.9626 299.4451 -37.6791 -12.1007 763637.8085 6.5471 6.6868 PRESSURE: 579400 246.028 18.8493 67.44 18.8499 -14.1291 29.7157 67.4399 29.716 -310.832 GPRESSURE: 579400 216.369 -9.01991 -55.4775 29.5212 28.7801 -9.94958 97.5898 34.1014 -258.861 PRESSAVG: 579400 32.312 -5.88762 10.8391 -5.88767 -36.2309 69.28 10.8391 69.28 -2.93662 GPRESSAVG: 579400 33.4274 -5.37425 10.8184 -8.24796 -37.1068 69.2409 12.2672 69.2781 -3.48773 TIMING: 579400 CPU: 1824.85, 0.00314987/step Wall: 1824.85, 0.00314987/step, 3.86786 hours remaining, 234.773438 MB of memory in use. ENERGY: 579400 3887.4353 20528.7218 14549.8710 261.7414 -203682.2503 2761.9378 0.0000 0.0000 52129.5973 -109562.9456 299.5895 -161692.5430 -109194.1407 299.2309 -26.3110 -4.5707 760609.4667 -2.2852 -2.3891 PRESSURE: 579600 28.8713 126.73 -91.4592 126.729 -78.0384 108.249 -91.4586 108.248 -211.858 GPRESSURE: 579600 80.4535 161.876 -109.259 100.554 -99.5558 128.752 27.882 83.2492 -157.188 PRESSAVG: 579600 66.4583 37.9552 4.78471 37.9552 -41.3648 1.64748 4.78477 1.64748 -36.8499 GPRESSAVG: 579600 63.2625 35.9261 4.82005 37.9731 -38.659 0.719366 2.65847 0.783189 -36.2473 TIMING: 579600 CPU: 1825.48, 0.00316539/step Wall: 1825.48, 0.00316539/step, 3.88675 hours remaining, 234.773438 MB of memory in use. ENERGY: 579600 3997.8624 20655.7275 14482.0162 221.4715 -203412.2871 2773.7315 0.0000 0.0000 51876.0569 -109405.4210 298.1324 -161281.4780 -109050.4661 298.9170 -87.0083 -58.7636 761048.5623 -3.9188 -3.8812 PRESSURE: 579800 104.9 -1.56023 78.3449 -1.55869 -73.8465 248.038 78.346 248.039 226.241 GPRESSURE: 579800 169.683 -38.8927 57.6942 4.9941 -56.0407 161.536 141.404 224.473 228.955 PRESSAVG: 579800 -32.6207 -4.69124 -23.8133 -4.69126 -6.61767 -8.21045 -23.8133 -8.21044 17.1563 GPRESSAVG: 579800 -31.3393 -4.01799 -22.6788 -2.4231 -6.60535 -7.85975 -21.4059 -8.90459 16.0356 TIMING: 579800 CPU: 1826.11, 0.00316066/step Wall: 1826.11, 0.00316066/step, 3.88077 hours remaining, 234.773438 MB of memory in use. ENERGY: 579800 3982.5405 20315.9823 14589.2101 254.5931 -203906.5683 3054.2447 0.0000 0.0000 52103.2831 -109606.7145 299.4383 -161709.9976 -109236.6976 299.1438 85.7649 114.1989 760192.5247 -7.3607 -7.3030 PRESSURE: 580000 194.828 -46.6438 -113.616 -46.6435 48.3207 129.826 -113.616 129.826 17.5532 GPRESSURE: 580000 134.212 -52.1192 -90.1992 -38.4427 115.109 103.088 -88.5991 100.636 85.0293 PRESSAVG: 580000 32.8046 -11.5554 22.9729 -11.5554 -47.9134 -31.314 22.9729 -31.3141 -5.10217 GPRESSAVG: 580000 33.3632 -11.0068 20.2196 -13.0523 -48.9691 -29.9884 22.5361 -33.0208 -4.15192 TIMING: 580000 CPU: 1826.75, 0.00316131/step Wall: 1826.75, 0.0031613/step, 3.88138 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: 580000 3935.7466 20644.7644 14478.3431 251.8838 -203820.5719 2759.2500 0.0000 0.0000 52001.8039 -109748.7802 298.8551 -161750.5841 -109391.3193 298.8881 86.9006 111.4502 761900.7913 -6.7370 -6.5860 PRESSURE: 580200 -391.553 -9.38065 -68.4462 -9.38138 -97.8187 153.69 -68.4459 153.691 233.542 GPRESSURE: 580200 -299.537 -30.7753 -66.0615 -7.77117 -81.5661 189.96 -57.4282 150.678 195.469 PRESSAVG: 580200 22.4133 27.6638 -26.2268 27.6638 -41.8692 49.7593 -26.2268 49.7593 16.6882 GPRESSAVG: 580200 23.2223 28.7765 -23.8044 27.568 -42.6214 50.4607 -29.3265 50.9737 16.3166 TIMING: 580200 CPU: 1827.38, 0.00316373/step Wall: 1827.38, 0.00316373/step, 3.88418 hours remaining, 234.773438 MB of memory in use. ENERGY: 580200 4035.9349 20529.6188 14522.7213 246.1050 -204199.1109 3013.6540 0.0000 0.0000 52045.1981 -109805.8788 299.1045 -161851.0769 -109447.9971 298.3679 -85.2767 -61.8780 760657.1481 -0.9226 -1.0275 LDB: ============= START OF LOAD BALANCING ============== 1839.83 LDB: ============== END OF LOAD BALANCING =============== 1839.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1839.83 LDB: ============= START OF LOAD BALANCING ============== 1840.15 LDB: Largest compute 7073 load 0.036354 is 18.7% of average load 0.194747 LDB: Average compute 0.004405 is 2.3% of average load 0.194747 LDB: TIME 1840.16 LOAD: AVG 0.194747 MAX 0.217552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.082 MB LDB: TIME 1840.16 LOAD: AVG 0.194747 MAX 0.217552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: TIME 1840.16 LOAD: AVG 0.194747 MAX 0.215099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.082 MB LDB: ============== END OF LOAD BALANCING =============== 1840.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1840.16 PRESSURE: 580400 218.119 139.048 -49.1812 139.049 270.349 -98.7428 -49.1812 -98.7433 -118.578 GPRESSURE: 580400 168.925 31.3845 -62.5832 123.273 432.862 -96.277 -13.2315 -14.6507 -106.519 PRESSAVG: 580400 81.6341 14.2922 -43.7284 14.2922 -18.9435 23.9196 -43.7285 23.9197 13.3958 GPRESSAVG: 580400 80.6126 12.7932 -44.5675 15.0799 -17.9592 23.3095 -39.9247 25.0632 13.8616 TIMING: 580400 CPU: 1828.03, 0.00324521/step Wall: 1828.03, 0.00324521/step, 3.98403 hours remaining, 235.980469 MB of memory in use. ENERGY: 580400 3996.5601 20471.7993 14379.9521 267.7122 -203831.3052 2890.3556 0.0000 0.0000 51799.6139 -110025.3120 297.6931 -161824.9258 -109667.3623 298.3099 123.2965 165.0894 760997.3546 25.3621 25.5050 PRESSURE: 580600 -42.9225 73.3119 -149.012 73.3112 16.1058 -406.007 -149.013 -406.006 -32.7772 GPRESSURE: 580600 -7.11957 176.753 -81.4957 90.1348 9.35117 -324.754 -69.3778 -224.519 33.7869 PRESSAVG: 580600 -5.28123 -38.6237 -19.8688 -38.6237 8.6375 -54.1527 -19.8689 -54.1527 8.49829 GPRESSAVG: 580600 -5.34547 -39.6303 -19.5973 -37.6907 8.16466 -53.4679 -21.223 -54.056 8.54693 TIMING: 580600 CPU: 1828.66, 0.00314242/step Wall: 1828.66, 0.00314242/step, 3.85767 hours remaining, 236.183594 MB of memory in use. ENERGY: 580600 3984.0478 20412.4087 14453.7440 242.0082 -203716.6237 2761.9106 0.0000 0.0000 51941.0608 -109921.4436 298.5060 -161862.5044 -109562.9010 297.6577 -19.8647 12.0062 761392.0807 3.9515 3.7887 PRESSURE: 580800 220.747 218.157 -64.1891 218.156 -149.219 244.996 -64.1896 244.995 179.821 GPRESSURE: 580800 150.487 36.8762 -68.217 273.409 36.793 229.724 -122.877 36.9385 136.891 PRESSAVG: 580800 -18.3917 -57.4863 -17.3341 -57.4864 35.0008 28.3812 -17.3342 28.3812 26.2027 GPRESSAVG: 580800 -18.1312 -59.234 -17.587 -59.8133 35.9292 26.8151 -16.0763 28.2244 25.8932 TIMING: 580800 CPU: 1829.29, 0.00316176/step Wall: 1829.29, 0.00316176/step, 3.88124 hours remaining, 236.183594 MB of memory in use. ENERGY: 580800 3990.0338 20563.5450 14402.5580 256.0470 -203917.8668 2878.7538 0.0000 0.0000 51861.0748 -109965.8543 298.0463 -161826.9292 -109608.5211 297.4632 83.7831 108.0569 759578.3201 14.2706 14.5637 PRESSURE: 581000 -108.263 -23.967 -4.67572 -23.9659 -264.149 -105.788 -4.67593 -105.789 55.0164 GPRESSURE: 581000 -90.1326 27.3811 -46.174 9.36278 -202.057 -78.4395 -101.885 -138.29 43.2456 PRESSAVG: 581000 -17.246 -3.69062 33.0458 -3.69054 5.88598 -8.29204 33.0458 -8.29205 -7.43127 GPRESSAVG: 581000 -15.9667 -2.24618 31.2544 -2.01896 4.24195 -5.4883 35.5554 -9.3165 -7.01692 TIMING: 581000 CPU: 1829.92, 0.0031564/step Wall: 1829.92, 0.0031564/step, 3.87449 hours remaining, 236.183594 MB of memory in use. ENERGY: 581000 4015.6476 20431.2000 14477.2664 261.4230 -203256.8474 2334.0590 0.0000 0.0000 51826.7172 -109910.5343 297.8489 -161737.2514 -109555.7985 298.0782 -105.7983 -82.9814 760395.9536 -6.2638 -6.2472 PRESSURE: 581200 -101.295 -76.096 -129.459 -76.0964 199.051 210.08 -129.458 210.08 225.718 GPRESSURE: 581200 -60.1183 -135.384 -43.6231 -16.4207 179.873 215.915 -280.189 101.151 296.922 PRESSAVG: 581200 20.2393 -34.4525 -20.7888 -34.4525 -13.0158 -8.26699 -20.7888 -8.26695 -6.18398 GPRESSAVG: 581200 18.4067 -31.1665 -18.6434 -38.7822 -11.9499 -9.44516 -23.7919 -9.07121 -5.61381 TIMING: 581200 CPU: 1830.55, 0.00314502/step Wall: 1830.55, 0.00314502/step, 3.86034 hours remaining, 236.183594 MB of memory in use. ENERGY: 581200 3996.8166 20459.7915 14466.9056 250.0495 -203645.7473 2824.4333 0.0000 0.0000 52000.8376 -109646.9131 298.8495 -161647.7508 -109287.3533 298.4332 107.8244 138.8922 760114.1686 0.3465 0.2810 PRESSURE: 581400 -15.4326 30.2912 -29.0021 30.2919 -700.045 16.0224 -29.0013 16.0218 -181.025 GPRESSURE: 581400 -31.7511 2.38602 21.4363 62.0713 -573.653 61.1702 -90.7048 -13.0612 -208.401 PRESSAVG: 581400 14.0091 -47.1024 -6.23987 -47.1024 16.9258 19.8278 -6.23992 19.8278 24.8298 GPRESSAVG: 581400 13.0311 -49.5187 -6.3587 -45.1618 17.3843 18.6657 -7.2495 22.2667 25.307 TIMING: 581400 CPU: 1831.18, 0.00315188/step Wall: 1831.18, 0.00315188/step, 3.86858 hours remaining, 236.183594 MB of memory in use. ENERGY: 581400 3999.3532 20384.4760 14464.0051 259.8597 -203141.6889 2354.2790 0.0000 0.0000 52169.6576 -109510.0583 299.8197 -161679.7160 -109144.2942 298.9928 -298.8344 -271.2683 761689.9008 18.5882 18.5741 PRESSURE: 581600 190.257 -194.985 -109.027 -194.985 -210.361 222.037 -109.028 222.036 -79.8355 GPRESSURE: 581600 233.249 -140.369 -38.1494 -120.499 -221.874 210.406 -137.228 195.58 -20.0705 PRESSAVG: 581600 -13.0942 -54.2152 -1.32275 -54.2152 -3.37015 12.7631 -1.32275 12.763 6.95606 GPRESSAVG: 581600 -11.3057 -53.7858 -0.620648 -54.0555 -4.75752 13.4822 -0.108137 11.8396 6.29751 TIMING: 581600 CPU: 1831.81, 0.00315195/step Wall: 1831.81, 0.00315195/step, 3.86849 hours remaining, 236.183594 MB of memory in use. ENERGY: 581600 4003.5687 20427.3223 14489.5969 252.2014 -203653.8250 2921.7814 0.0000 0.0000 52052.3005 -109507.0539 299.1453 -161559.3544 -109141.7392 298.7446 -33.3133 -2.8985 760921.8999 -3.1694 -3.2553 PRESSURE: 581800 46.2434 -10.8141 40.9977 -10.8144 -90.1971 30.9932 40.9982 30.9939 45.103 GPRESSURE: 581800 117.01 -51.6441 38.1491 -82.3704 -101.689 -8.97086 55.882 76.7636 86.1553 PRESSAVG: 581800 -20.7095 -29.3126 -28.1185 -29.3126 -20.4257 -19.7573 -28.1185 -19.7573 -4.58505 GPRESSAVG: 581800 -21.2792 -32.6107 -31.0089 -28.2456 -19.1537 -20.5836 -27.2918 -17.0308 -4.75824 TIMING: 581800 CPU: 1832.44, 0.00316512/step Wall: 1832.44, 0.00316512/step, 3.88449 hours remaining, 236.183594 MB of memory in use. ENERGY: 581800 3949.1410 20428.7792 14486.2117 254.1084 -203403.0515 2867.9975 0.0000 0.0000 51952.2712 -109464.5426 298.5704 -161416.8138 -109091.2554 298.6484 0.3831 33.8257 761098.5487 -15.2401 -15.0637 PRESSURE: 582000 -61.1038 205.213 -293.105 205.212 -200.209 -221.523 -293.104 -221.522 310.118 GPRESSURE: 582000 -29.6704 29.544 -218.775 181.923 -166.489 -228.915 -271.201 -229.901 328.094 PRESSAVG: 582000 4.81589 -52.8813 -3.17898 -52.8813 47.6131 12.4266 -3.17902 12.4265 -15.8002 GPRESSAVG: 582000 4.84509 -50.865 -2.05355 -53.7961 47.4607 13.6268 -3.03256 8.28299 -15.3643 TIMING: 582000 CPU: 1833.08, 0.00317194/step Wall: 1833.08, 0.00317194/step, 3.89267 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: 582000 4042.9007 20315.4104 14509.4318 236.4648 -203102.3721 2654.8056 0.0000 0.0000 52220.0051 -109123.3537 300.1091 -161343.3589 -108762.7203 299.0769 16.2682 43.9783 761314.2851 12.2096 12.3138 PRESSURE: 582200 8.95986 -104.752 -99.1413 -104.752 68.5871 24.6573 -99.1405 24.6571 69.781 GPRESSURE: 582200 -6.66569 -240.876 -197.6 -18.4154 142.982 46.3143 -38.9452 21.32 89.1904 PRESSAVG: 582200 -25.713 -32.7001 25.0701 -32.7 14.1014 -8.91469 25.0701 -8.91467 3.07484 GPRESSAVG: 582200 -25.4578 -33.4293 24.9868 -33.1916 14.2726 -9.93421 25.2967 -7.45818 3.02194 TIMING: 582200 CPU: 1833.71, 0.0031845/step Wall: 1833.71, 0.0031845/step, 3.90791 hours remaining, 236.183594 MB of memory in use. ENERGY: 582200 3978.6679 20503.6190 14501.5316 240.5224 -202977.7009 2494.0439 0.0000 0.0000 52103.9657 -109155.3504 299.4422 -161259.3162 -108792.2663 299.7006 49.1093 75.1689 763604.8496 -2.8456 -2.7211 PRESSURE: 582400 -160.704 88.8838 69.362 88.8844 -54.2507 205.386 69.3615 205.387 -5.18236 GPRESSURE: 582400 -112.277 67.9882 91.4237 105.117 -24.4822 242.088 -21.1111 287.857 2.38531 PRESSAVG: 582400 13.4234 -23.6246 36.5432 -23.6246 -7.54378 -2.99857 36.5432 -2.99851 0.701136 GPRESSAVG: 582400 14.3947 -23.3765 37.6364 -23.6086 -7.81853 -2.69429 35.6687 -0.144844 -0.312088 TIMING: 582400 CPU: 1834.35, 0.00316853/step Wall: 1834.35, 0.00316853/step, 3.88814 hours remaining, 236.183594 MB of memory in use. ENERGY: 582400 4004.6352 20438.9949 14576.4047 254.1123 -203536.7695 2883.6662 0.0000 0.0000 52347.2249 -109031.7313 300.8402 -161378.9562 -108661.0305 299.7223 -73.3789 -44.7913 762255.4169 2.1936 2.0880 PRESSURE: 582600 -4.6503 -141.866 52.3627 -141.866 367.481 -177.493 52.3628 -177.494 -111.807 GPRESSURE: 582600 -67.3875 -87.2648 71.1653 -111.977 394.508 -189.045 81.7007 -104.866 16.8984 PRESSAVG: 582600 30.001 -17.6017 23.742 -17.6017 -13.4697 -4.31504 23.742 -4.315 -1.20484 GPRESSAVG: 582600 29.2942 -17.0067 22.7809 -15.5172 -12.8826 -4.23575 22.1934 -6.37451 -1.55286 TIMING: 582600 CPU: 1834.98, 0.00317415/step Wall: 1834.98, 0.00317415/step, 3.89486 hours remaining, 236.183594 MB of memory in use. ENERGY: 582600 3997.3554 20386.3020 14541.9260 263.1493 -203060.1603 2695.8513 0.0000 0.0000 52003.5466 -109172.0296 298.8651 -161175.5763 -108810.1279 300.1950 83.6746 114.6729 765005.1784 5.1088 4.9529 PRESSURE: 582800 222.58 -68.9035 -166.832 -68.9031 -23.2018 172.746 -166.832 172.747 100.423 GPRESSURE: 582800 276.961 11.0007 -223.336 -35.0229 -4.87423 188.263 -78.73 189.143 101.239 PRESSAVG: 582800 -21.3837 -15.1982 4.42126 -15.1982 -10.4251 51.1149 4.4213 51.1148 16.546 GPRESSAVG: 582800 -20.7359 -12.9934 5.57146 -17.1149 -13.1025 50.4598 7.45428 49.4323 18.0284 TIMING: 582800 CPU: 1835.62, 0.00318156/step Wall: 1835.62, 0.00318156/step, 3.90378 hours remaining, 236.183594 MB of memory in use. ENERGY: 582800 4006.7581 20528.0812 14584.2939 260.3005 -203585.5667 2995.4824 0.0000 0.0000 52184.8600 -109025.7905 299.9071 -161210.6505 -108661.5859 299.7011 99.9337 124.4422 762808.1146 -5.0876 -5.2700 PRESSURE: 583000 -141.37 171.536 -97.5354 171.536 -120.445 151.454 -97.5363 151.454 176.133 GPRESSURE: 583000 -72.6093 185.838 -81.2601 77.2999 -67.4287 165.351 -43.2317 136.55 148.252 PRESSAVG: 583000 53.4705 -34.4698 -25.1647 -34.4698 -49.6667 -29.591 -25.1648 -29.591 26.6666 GPRESSAVG: 583000 52.9239 -34.005 -25.3777 -35.0324 -48.6159 -30.2743 -25.7258 -26.1131 25.6801 TIMING: 583000 CPU: 1836.25, 0.00317588/step Wall: 1836.25, 0.00317588/step, 3.89663 hours remaining, 236.183594 MB of memory in use. ENERGY: 583000 3954.3735 20336.4393 14487.5452 246.5203 -203098.3372 2755.3882 0.0000 0.0000 52170.4774 -109147.5933 299.8245 -161318.0706 -108784.3173 299.4553 -28.5604 2.7381 763014.4312 10.1568 9.9960 PRESSURE: 583200 -144.374 0.200977 50.4636 0.200863 -101.889 21.7126 50.4635 21.7116 -19.6584 GPRESSURE: 583200 -114.759 -7.04016 53.0979 8.75784 -78.4884 -34.7385 20.3931 117.298 -2.12537 PRESSAVG: 583200 -2.92884 14.0006 -25.0474 14.0006 22.1257 -55.237 -25.0472 -55.237 -3.48796 GPRESSAVG: 583200 -2.72935 11.6583 -26.0684 15.446 22.4478 -55.5623 -25.2639 -56.1225 -4.04528 TIMING: 583200 CPU: 1836.89, 0.00317579/step Wall: 1836.89, 0.00317579/step, 3.89634 hours remaining, 236.183594 MB of memory in use. ENERGY: 583200 3959.6769 20387.3067 14595.8522 258.2352 -203297.2585 2824.8083 0.0000 0.0000 52082.8872 -109188.4919 299.3211 -161271.3791 -108825.6515 299.3519 -88.6407 -65.1243 763642.4031 5.2363 5.2244 PRESSURE: 583400 183.11 39.7795 27.6063 39.781 164.917 -83.1577 27.6066 -83.1596 190.209 GPRESSURE: 583400 174.305 -28.5054 -15.3684 -52.7113 252.622 -167.592 25.1474 -102.974 202.058 PRESSAVG: 583400 -18.8862 6.60592 -5.29246 6.60594 14.2807 18.8775 -5.29245 18.8774 -4.12512 GPRESSAVG: 583400 -18.5529 7.44746 -4.04717 4.30058 13.7629 20.7097 -6.62692 18.2611 -3.53055 TIMING: 583400 CPU: 1837.52, 0.00314925/step Wall: 1837.52, 0.00314925/step, 3.8636 hours remaining, 236.183594 MB of memory in use. ENERGY: 583400 3969.6944 20639.4657 14581.6828 222.3699 -203834.6022 3005.7287 0.0000 0.0000 52240.8370 -109174.8237 300.2288 -161415.6607 -108821.1379 299.6958 179.4118 209.6616 763100.7261 -2.9102 -2.7735 PRESSURE: 583600 -194.358 195.162 37.2252 195.161 -184.78 285.089 37.2262 285.089 133.44 GPRESSURE: 583600 -180.102 114.006 37.5885 98.8793 -156.773 268.346 54.3773 294.381 171.392 PRESSAVG: 583600 14.014 42.2396 -22.5875 42.2396 0.679883 -11.7386 -22.5875 -11.7386 5.29124 GPRESSAVG: 583600 13.2416 40.4404 -23.4047 44.2074 1.4871 -11.0905 -22.706 -11.7287 5.06678 TIMING: 583600 CPU: 1838.15, 0.00315663/step Wall: 1838.15, 0.00315663/step, 3.87248 hours remaining, 236.183594 MB of memory in use. ENERGY: 583600 4017.5050 20572.3576 14561.6116 260.7533 -203414.2014 2512.1178 0.0000 0.0000 52089.2654 -109400.5907 299.3577 -161489.8561 -109042.1479 299.6126 -81.8992 -55.1611 763258.4005 6.6617 6.5985 PRESSURE: 583800 215.977 -372.323 125.903 -372.324 244.756 -91.201 125.902 -91.1994 282.035 GPRESSURE: 583800 233.144 -333.865 137.276 -299.697 267.247 -21.478 104.881 -71.3768 344.343 PRESSAVG: 583800 10.7495 -76.0807 -56.1781 -76.0807 -11.6675 0.983431 -56.1781 0.983465 11.0089 GPRESSAVG: 583800 10.5378 -75.3123 -55.4337 -76.0921 -12.1368 0.556966 -57.3758 0.479626 11.2748 TIMING: 583800 CPU: 1838.78, 0.00316666/step Wall: 1838.78, 0.00316666/step, 3.88461 hours remaining, 236.183594 MB of memory in use. ENERGY: 583800 3959.4924 20497.3294 14504.9724 266.1439 -203671.5116 2976.9738 0.0000 0.0000 52222.5959 -109244.0038 300.1240 -161466.5997 -108890.7784 299.3409 247.5894 281.5779 761695.3099 3.3636 3.2253 PRESSURE: 584000 236.24 176.111 -76.2685 176.111 -238.07 23.676 -76.2693 23.6756 25.8349 GPRESSURE: 584000 220.732 112.755 -125.955 251.404 -115.626 70.5688 -93.8318 120.754 8.2371 PRESSAVG: 584000 -32.9393 -28.0221 7.2423 -28.0221 8.14068 62.0554 7.24228 62.0554 -17.6719 GPRESSAVG: 584000 -32.7551 -26.0935 5.75383 -27.7158 8.18548 61.8947 8.93798 61.8043 -17.8643 TIMING: 584000 CPU: 1839.42, 0.00318161/step Wall: 1839.42, 0.00318161/step, 3.90277 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: 584000 3996.6447 20567.0857 14529.1226 249.2023 -203222.5859 2670.5460 0.0000 0.0000 52061.6174 -109148.3672 299.1988 -161209.9846 -108784.4925 299.4335 8.0018 37.7810 764874.8773 -14.1569 -14.1447 PRESSURE: 584200 42.0661 -86.6672 -1.47192 -86.6685 -7.62259 198.836 -1.47207 198.835 -356.766 GPRESSURE: 584200 -56.2685 -75.8407 -28.5982 -86.6532 126.714 199.824 -98.0918 191.425 -292.569 PRESSAVG: 584200 14.8889 36.0919 32.1571 36.0919 -49.269 37.2211 32.157 37.2211 8.34657 GPRESSAVG: 584200 15.0436 34.4858 32.1199 34.4513 -49.0209 37.4792 34.7235 37.912 8.42688 TIMING: 584200 CPU: 1840.05, 0.00315726/step Wall: 1840.05, 0.00315726/step, 3.87273 hours remaining, 236.183594 MB of memory in use. ENERGY: 584200 4145.5738 20519.9646 14466.3836 240.0850 -203558.7668 2764.7006 0.0000 0.0000 52294.5644 -109127.4948 300.5376 -161422.0592 -108764.3553 299.7168 -107.4410 -74.0412 762141.0200 -8.6778 -8.5168 LDB: ============= START OF LOAD BALANCING ============== 1852.5 LDB: ============== END OF LOAD BALANCING =============== 1852.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1852.5 LDB: ============= START OF LOAD BALANCING ============== 1852.82 LDB: Largest compute 7026 load 0.035610 is 18.3% of average load 0.194773 LDB: Average compute 0.004408 is 2.3% of average load 0.194773 LDB: TIME 1852.83 LOAD: AVG 0.194773 MAX 0.212501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.543 MB LDB: TIME 1852.83 LOAD: AVG 0.194773 MAX 0.212501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.543 MB LDB: TIME 1852.83 LOAD: AVG 0.194773 MAX 0.212501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.543 MB LDB: ============== END OF LOAD BALANCING =============== 1852.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1852.83 PRESSURE: 584400 348.95 216.358 310.724 216.358 457.557 -311.086 310.724 -311.086 -245.382 GPRESSURE: 584400 388.833 169.397 204.366 243.828 379.175 -353.738 289.27 -271.077 -116.531 PRESSAVG: 584400 2.49234 -0.0583113 27.4419 -0.0583049 6.66243 -68.164 27.4419 -68.164 -5.6641 GPRESSAVG: 584400 2.11323 0.787565 29.4277 1.3799 6.26547 -67.0977 23.4408 -68.4779 -4.6949 TIMING: 584400 CPU: 1840.7, 0.00323083/step Wall: 1840.7, 0.00323083/step, 3.9628 hours remaining, 234.570312 MB of memory in use. ENERGY: 584400 3959.0704 20419.4308 14466.4798 251.0275 -203732.1529 3225.0374 0.0000 0.0000 51887.5094 -109523.5977 298.1982 -161411.1070 -109163.0762 299.7263 187.0416 217.1587 761969.1642 1.1636 1.2279 PRESSURE: 584600 239.052 -63.2478 -144.964 -63.2488 76.4521 117.026 -144.963 117.027 -101.981 GPRESSURE: 584600 160.041 -107.721 -55.5755 -86.1344 213.729 44.9051 -134.567 124.744 -63.2925 PRESSAVG: 584600 -10.1084 -42.3902 13.912 -42.3902 -5.99158 -25.0997 13.912 -25.0997 -6.61704 GPRESSAVG: 584600 -9.55555 -43.0404 12.1059 -43.5761 -6.54635 -27.6109 15.8052 -27.0101 -6.75364 TIMING: 584600 CPU: 1841.33, 0.00316905/step Wall: 1841.33, 0.00316905/step, 3.88684 hours remaining, 234.769531 MB of memory in use. ENERGY: 584600 3977.9849 20444.8779 14455.2693 238.3632 -203318.1743 2641.4135 0.0000 0.0000 52114.5873 -109445.6783 299.5032 -161560.2656 -109082.3058 299.3108 71.1744 103.4923 761315.8987 -7.5724 -7.6185 PRESSURE: 584800 113.039 19.9108 168.712 19.9105 -75.617 165.801 168.711 165.801 226.155 GPRESSURE: 584800 111.655 224.55 153.578 -24.8244 3.00026 173.594 132.584 126.197 232.159 PRESSAVG: 584800 38.398 -16.6492 22.8348 -16.6492 -45.333 11.9096 22.8348 11.9096 -6.26432 GPRESSAVG: 584800 37.6843 -15.4212 24.1766 -14.3512 -43.6893 12.517 22.7677 13.2813 -7.10414 TIMING: 584800 CPU: 1841.97, 0.00318304/step Wall: 1841.97, 0.00318304/step, 3.90382 hours remaining, 234.769531 MB of memory in use. ENERGY: 584800 3992.2407 20466.9985 14524.0705 237.7585 -203377.2929 2520.9953 0.0000 0.0000 52053.3353 -109581.8942 299.1512 -161635.2295 -109213.8117 298.9687 87.8592 115.6046 760628.3347 -4.3998 -4.3697 PRESSURE: 585000 297.77 86.6549 -124.924 86.6558 -264.704 16.0201 -124.925 16.0207 51.1616 GPRESSURE: 585000 389.294 94.8064 -105.564 90.7426 -237.027 -5.55371 3.45118 15.7394 24.7682 PRESSAVG: 585000 8.18011 -3.62055 57.1803 -3.62054 -39.0118 -6.25939 57.1803 -6.25939 2.30509 GPRESSAVG: 585000 8.69362 -2.50824 57.5944 -6.65398 -40.2444 -6.36384 58.2444 -5.38648 3.22381 TIMING: 585000 CPU: 1842.6, 0.00316612/step Wall: 1842.6, 0.00316612/step, 3.88289 hours remaining, 234.769531 MB of memory in use. ENERGY: 585000 3903.2549 20544.7073 14458.9219 262.0519 -203312.2284 2468.2488 0.0000 0.0000 51989.0042 -109686.0395 298.7815 -161675.0437 -109324.0653 298.4361 28.0761 59.0117 761575.6901 -9.5089 -9.4423 PRESSURE: 585200 30.469 127.046 36.1325 127.046 8.81845 -110.101 36.1326 -110.101 -6.39336 GPRESSURE: 585200 55.1826 65.7925 107.964 -15.4591 46.0494 -98.4907 13.4387 -222.324 -0.0450121 PRESSAVG: 585200 54.9454 -2.33404 14.3839 -2.33399 -52.4823 -23.1782 14.3839 -23.1781 8.51926 GPRESSAVG: 585200 54.9316 -5.17782 13.6434 -1.81223 -52.2687 -22.9605 11.737 -22.8297 7.75506 TIMING: 585200 CPU: 1843.24, 0.00317685/step Wall: 1843.24, 0.00317685/step, 3.89588 hours remaining, 234.972656 MB of memory in use. ENERGY: 585200 3995.1187 20522.5031 14500.6075 252.1399 -203454.6327 2568.7958 0.0000 0.0000 52096.2104 -109519.2573 299.3976 -161615.4677 -109167.9839 298.9410 10.9647 33.7290 759000.6113 3.6608 3.4726 PRESSURE: 585400 158.279 -250.735 -41.1863 -250.736 -100.867 -181.459 -41.1863 -181.46 346.678 GPRESSURE: 585400 179.228 -178.406 -82.2098 -222.861 -54.7524 -117.246 142.995 -80.3911 369.572 PRESSAVG: 585400 -1.72319 37.8948 10.2406 37.8948 16.3831 -45.6607 10.2406 -45.6606 -1.73389 GPRESSAVG: 585400 -1.94585 39.8292 8.67078 39.9861 15.741 -45.4109 10.9028 -47.5305 -0.603163 TIMING: 585400 CPU: 1843.87, 0.00317822/step Wall: 1843.87, 0.00317822/step, 3.89738 hours remaining, 234.972656 MB of memory in use. ENERGY: 585400 4000.9160 20506.8075 14522.0118 257.3132 -203445.9304 2727.6961 0.0000 0.0000 52088.9589 -109342.2269 299.3560 -161431.1858 -108991.8050 299.2863 134.6965 164.6824 759672.6288 4.3087 4.3973 PRESSURE: 585600 -180.254 -150.654 -142.555 -150.654 -149.482 -40.9217 -142.555 -40.9221 70.0411 GPRESSURE: 585600 -53.562 -98.7459 -143.898 -144.443 -125.867 -30.507 -194.466 -1.04023 18.5906 PRESSAVG: 585600 17.2393 -41.7701 20.3997 -41.77 -4.84492 -5.05564 20.3997 -5.05561 1.27648 GPRESSAVG: 585600 18.2099 -42.1568 21.1026 -45.6256 -4.6663 -5.29798 21.0219 -4.92801 0.903863 TIMING: 585600 CPU: 1844.51, 0.00316798/step Wall: 1844.51, 0.00316798/step, 3.88465 hours remaining, 234.972656 MB of memory in use. ENERGY: 585600 3958.8100 20603.3932 14490.5243 261.3505 -202852.3730 2222.3061 0.0000 0.0000 52057.1378 -109258.8510 299.1731 -161315.9888 -108899.0189 299.3372 -86.5649 -53.6129 760831.2093 4.5569 4.8158 PRESSURE: 585800 298.414 157.806 31.4777 157.808 95.682 -5.34213 31.4778 -5.34375 687.155 GPRESSURE: 585800 341.256 142.939 59.0653 73.4007 132.391 39.5413 -107.967 -20.7872 706.499 PRESSAVG: 585800 -16.6717 4.04017 -25.2849 4.04018 12.1361 -20.0028 -25.2849 -20.0028 25.8115 GPRESSAVG: 585800 -17.0436 6.32805 -23.5636 4.04587 13.7269 -20.4207 -25.1147 -20.196 24.7228 TIMING: 585800 CPU: 1845.14, 0.00319145/step Wall: 1845.14, 0.00319145/step, 3.91325 hours remaining, 234.972656 MB of memory in use. ENERGY: 585800 3985.4750 20413.2926 14487.4621 241.4919 -203560.8661 2812.1931 0.0000 0.0000 52268.3441 -109352.6073 300.3869 -161620.9515 -108993.9837 299.1322 360.4170 393.3820 758233.5958 7.0920 7.1354 PRESSURE: 586000 58.036 85.1798 98.2144 85.18 4.47236 -128.18 98.2144 -128.179 426.318 GPRESSURE: 586000 129.785 -37.6561 67.8263 67.8849 19.28 -76.5861 94.9064 -122.556 429.228 PRESSAVG: 586000 6.06269 6.99338 -62.6644 6.99335 0.416959 6.78701 -62.6644 6.7871 -0.654766 GPRESSAVG: 586000 6.09373 5.14485 -65.0042 10.4864 -1.4094 7.48988 -60.91 6.89815 1.20077 TIMING: 586000 CPU: 1845.78, 0.00318151/step Wall: 1845.78, 0.00318151/step, 3.90089 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: 586000 3911.6883 20505.7613 14431.3523 233.4285 -203241.0693 2497.5645 0.0000 0.0000 52299.4686 -109361.8058 300.5658 -161661.2744 -108998.9679 298.8634 162.9422 192.7644 759605.5725 1.9416 1.9617 PRESSURE: 586200 31.4669 45.6417 13.2229 45.641 -108.403 -110.928 13.2229 -110.928 246.899 GPRESSURE: 586200 4.42223 69.9735 105.849 -17.0399 -29.7612 -35.6419 -3.07315 -31.0243 282.649 PRESSAVG: 586200 30.3105 27.7737 -20.69 27.7737 -18.1955 -18.088 -20.6901 -18.088 13.6123 GPRESSAVG: 586200 29.3148 26.7903 -18.1794 26.356 -16.7426 -17.6716 -22.7426 -17.1123 13.2497 TIMING: 586200 CPU: 1846.42, 0.00318056/step Wall: 1846.42, 0.00318056/step, 3.89954 hours remaining, 234.972656 MB of memory in use. ENERGY: 586200 3917.4285 20515.5240 14458.6075 270.3658 -203362.2731 2627.8604 0.0000 0.0000 52216.4539 -109356.0329 300.0887 -161572.4869 -109005.2667 299.1626 56.6543 85.7699 759641.9843 8.5758 8.6073 PRESSURE: 586400 -36.5072 1.04539 121.24 1.04619 -491.064 150.615 121.24 150.614 -126.129 GPRESSURE: 586400 51.8338 3.99047 122.102 -4.42912 -482.328 51.7741 157.548 116.799 -143.229 PRESSAVG: 586400 18.6632 61.2828 28.4652 61.2828 -24.8614 5.69826 28.4653 5.69825 4.24293 GPRESSAVG: 586400 18.9423 61.9703 26.9123 61.5542 -25.2597 3.45493 29.3133 4.12924 4.1586 TIMING: 586400 CPU: 1847.05, 0.00314843/step Wall: 1847.05, 0.00314843/step, 3.85997 hours remaining, 234.972656 MB of memory in use. ENERGY: 586400 3965.4244 20652.1384 14457.7762 258.2018 -202888.9422 2154.7273 0.0000 0.0000 52248.7745 -109151.8996 300.2744 -161400.6741 -108799.5669 300.2335 -217.9002 -191.2410 761676.6379 -0.6518 -0.7196 PRESSURE: 586600 136.931 -120.519 52.8302 -120.519 -80.4567 42.6181 52.8304 42.6174 -58.6963 GPRESSURE: 586600 222.532 -23.6884 209.273 -124.569 -81.1412 65.2703 12.0181 120.01 -74.4734 PRESSAVG: 586600 22.408 7.07643 -5.53669 7.07637 -1.82612 35.7459 -5.53662 35.746 -9.87804 GPRESSAVG: 586600 23.5063 6.76598 -4.34808 7.75872 -3.90626 36.8063 -6.10983 35.3705 -8.84322 TIMING: 586600 CPU: 1847.68, 0.00316711/step Wall: 1847.68, 0.00316711/step, 3.88271 hours remaining, 234.972656 MB of memory in use. ENERGY: 586600 4050.9842 20563.9742 14487.5389 267.3819 -203475.3643 2765.4293 0.0000 0.0000 52255.2368 -109084.8190 300.3116 -161340.0558 -108725.2638 300.2269 -0.7408 22.3057 761084.3573 3.5680 3.5856 PRESSURE: 586800 -106.836 -280.542 -313.944 -280.542 -11.4649 254.592 -313.943 254.592 -560.971 GPRESSURE: 586800 -60.6384 -314.896 -296.17 -263.052 -24.4629 236.218 -123.56 209.527 -502.857 PRESSAVG: 586800 20.9133 -41.2019 -27.8745 -41.202 -35.0833 24.008 -27.8745 24.008 -1.21405 GPRESSAVG: 586800 20.2535 -41.3915 -27.3183 -41.5406 -34.3426 23.3261 -27.555 25.7849 -1.10477 TIMING: 586800 CPU: 1848.32, 0.0031845/step Wall: 1848.32, 0.0031845/step, 3.90384 hours remaining, 234.972656 MB of memory in use. ENERGY: 586800 4050.1156 20595.9565 14440.8186 231.6398 -203046.0706 2586.9880 0.0000 0.0000 52211.1904 -108929.3617 300.0584 -161140.5521 -108562.2580 300.0048 -226.4240 -195.9861 761643.2270 -5.1280 -5.0646 PRESSURE: 587000 -169.669 -191.768 -120.281 -191.768 245.303 106.356 -120.282 106.357 280.172 GPRESSURE: 587000 -78.6051 -193.67 -119.032 -151.279 287.86 178.488 -36.6034 -53.9218 217.277 PRESSAVG: 587000 52.7904 -25.2182 1.42922 -25.2182 -43.9009 62.2913 1.42921 62.2911 -7.63941 GPRESSAVG: 587000 53.0793 -24.9698 -1.42332 -23.9487 -42.9414 61.9402 3.53792 61.4767 -9.13785 TIMING: 587000 CPU: 1848.95, 0.00318156/step Wall: 1848.95, 0.00318156/step, 3.90006 hours remaining, 234.972656 MB of memory in use. ENERGY: 587000 3948.2031 20315.3370 14511.4862 240.8486 -203572.2556 2875.4067 0.0000 0.0000 52453.3318 -109227.6420 301.4500 -161680.9739 -108860.1339 300.2716 118.6021 142.1775 760891.3457 0.4167 0.3333 PRESSURE: 587200 -40.3782 119.954 44.0857 119.955 -61.4727 -148.608 44.0857 -148.608 73.3374 GPRESSURE: 587200 6.03696 -24.6738 -35.013 120.205 -112.64 -161.583 -12.537 36.8709 167.666 PRESSAVG: 587200 30.6603 -50.6693 -23.1687 -50.6693 -17.4894 -21.5231 -23.1687 -21.5231 6.6504 GPRESSAVG: 587200 30.9356 -47.7853 -21.4076 -54.445 -19.7124 -20.692 -23.817 -22.4841 7.57563 TIMING: 587200 CPU: 1849.59, 0.00316475/step Wall: 1849.59, 0.00316475/step, 3.87928 hours remaining, 234.972656 MB of memory in use. ENERGY: 587200 3872.3667 20485.6141 14463.3942 242.6139 -203375.6225 2734.4978 0.0000 0.0000 52120.5843 -109456.5515 299.5377 -161577.1358 -109093.3413 300.1479 -9.5045 20.3545 760108.1606 6.6071 6.2663 PRESSURE: 587400 161.353 -66.6777 87.3712 -66.6781 -104.427 138.413 87.3714 138.413 55.4531 GPRESSURE: 587400 209.072 55.1027 42.0574 -100.078 -122.839 109.92 119.315 160.78 100.51 PRESSAVG: 587400 -24.4281 -14.0044 8.35099 -14.0043 -6.72242 45.9369 8.3509 45.9369 -20.5425 GPRESSAVG: 587400 -25.2511 -17.6524 7.68194 -11.6232 -6.33551 45.7012 7.95096 48.2741 -20.6905 TIMING: 587400 CPU: 1850.22, 0.00318417/step Wall: 1850.22, 0.00318417/step, 3.90291 hours remaining, 234.972656 MB of memory in use. ENERGY: 587400 4052.1562 20316.1105 14500.1676 242.3769 -203647.6142 2826.3560 0.0000 0.0000 52104.6432 -109605.8037 299.4461 -161710.4470 -109247.1536 299.2353 37.4598 62.2478 759733.3435 -17.2310 -17.4257 PRESSURE: 587600 -266.524 -262.989 10.5084 -262.989 -101.57 28.6531 10.5084 28.6531 -131.293 GPRESSURE: 587600 -186.089 -230.471 69.8376 -203.94 -168.67 -51.6496 28.3012 42.6983 -53.9509 PRESSAVG: 587600 -40.9558 -46.1211 -47.1444 -46.1211 57.0455 -0.813423 -47.1444 -0.813511 5.36464 GPRESSAVG: 587600 -42.4262 -43.3266 -47.5021 -46.5982 58.2795 -1.38128 -46.9958 -1.28876 5.09294 TIMING: 587600 CPU: 1850.85, 0.00316267/step Wall: 1850.85, 0.00316267/step, 3.87637 hours remaining, 234.972656 MB of memory in use. ENERGY: 587600 4003.9801 20507.4527 14449.0030 261.7097 -203392.9405 2507.7497 0.0000 0.0000 52194.5570 -109468.4883 299.9628 -161663.0452 -109111.7523 299.2070 -166.4622 -136.2365 762005.6823 7.1514 6.9821 PRESSURE: 587800 -76.101 76.2918 161.361 76.2922 0.796729 -60.7892 161.361 -60.7884 -5.12729 GPRESSURE: 587800 -15.8144 7.70237 149.399 113.784 -9.2602 -35.0977 104.776 -63.4308 -13.0656 PRESSAVG: 587800 33.8456 -33.4487 58.8429 -33.4487 -23.293 -33.4595 58.8429 -33.4595 -1.71367 GPRESSAVG: 587800 34.8197 -33.8767 59.6464 -32.1853 -25.0026 -32.5409 58.9279 -35.2069 -1.15152 TIMING: 587800 CPU: 1851.49, 0.00317145/step Wall: 1851.49, 0.00317145/step, 3.88696 hours remaining, 234.972656 MB of memory in use. ENERGY: 587800 4030.1234 20571.9237 14465.5010 250.0408 -203683.1993 2750.9196 0.0000 0.0000 52316.0261 -109298.6648 300.6609 -161614.6909 -108940.0763 299.4732 -26.8105 -12.7134 762165.2088 2.9463 2.8885 PRESSURE: 588000 -14.6726 -170.644 82.1959 -170.644 30.4518 4.72301 82.1964 4.72436 -45.5619 GPRESSURE: 588000 50.1986 55.0628 180.47 -209.993 26.9644 42.9287 43.298 62.8272 4.85556 PRESSAVG: 588000 37.6102 -49.415 64.5513 -49.415 -25.6025 55.4374 64.5512 55.4374 -16.3373 GPRESSAVG: 588000 36.025 -48.8528 64.3508 -50.5536 -24.9018 55.1409 64.4901 56.7163 -15.2158 TIMING: 588000 CPU: 1852.12, 0.00317298/step Wall: 1852.12, 0.00317298/step, 3.88866 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: 588000 3923.3928 20633.7031 14471.5192 227.5651 -203534.3888 2834.9740 0.0000 0.0000 52190.9405 -109252.2941 299.9421 -161443.2346 -108886.5638 299.9713 -9.9275 27.3395 760826.9464 -1.4432 -1.3642 PRESSURE: 588200 -153.684 -22.0947 170.364 -22.0945 -82.3381 -37.4873 170.364 -37.4872 -142.243 GPRESSURE: 588200 -106.866 -24.2791 88.8258 -32.1968 -69.175 0.189395 65.9635 18.0587 -123.147 PRESSAVG: 588200 29.3983 -50.9364 19.467 -50.9364 -5.15176 51.0036 19.467 51.0036 32.459 GPRESSAVG: 588200 30.8247 -49.9766 18.6366 -50.6326 -5.44967 53.1553 18.693 50.2701 31.5326 TIMING: 588200 CPU: 1852.76, 0.00317034/step Wall: 1852.76, 0.00317034/step, 3.88525 hours remaining, 234.972656 MB of memory in use. ENERGY: 588200 3980.1978 20600.0013 14441.4913 248.8495 -203288.5768 2677.8139 0.0000 0.0000 52143.7582 -109196.4648 299.6709 -161340.2229 -108833.7146 299.5735 -126.0884 -99.7293 762836.5170 18.9018 18.9692 LDB: ============= START OF LOAD BALANCING ============== 1865.21 LDB: ============== END OF LOAD BALANCING =============== 1865.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1865.21 LDB: ============= START OF LOAD BALANCING ============== 1865.53 LDB: Largest compute 7073 load 0.036453 is 18.7% of average load 0.194854 LDB: Average compute 0.004404 is 2.3% of average load 0.194854 LDB: TIME 1865.54 LOAD: AVG 0.194854 MAX 0.214588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.773 MB LDB: TIME 1865.54 LOAD: AVG 0.194854 MAX 0.214588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: TIME 1865.54 LOAD: AVG 0.194854 MAX 0.214588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: ============== END OF LOAD BALANCING =============== 1865.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1865.54 PRESSURE: 588400 181.048 88.765 24.7199 88.7653 45.9694 185.39 24.7199 185.389 245.732 GPRESSURE: 588400 137.483 -57.6338 113.023 -74.1424 104.566 148.54 -4.79108 157.309 328.329 PRESSAVG: 588400 57.6087 -53.9618 7.73368 -53.9617 -23.847 113.378 7.73372 113.378 3.36494 GPRESSAVG: 588400 58.3434 -56.0541 9.52021 -53.6939 -23.912 112.823 8.24837 113.917 2.91824 TIMING: 588400 CPU: 1853.41, 0.00324863/step Wall: 1853.41, 0.00324863/step, 3.98102 hours remaining, 234.585938 MB of memory in use. ENERGY: 588400 3941.3381 20468.1482 14483.8667 245.5598 -203025.7460 2526.5330 0.0000 0.0000 52288.5604 -109071.7398 300.5031 -161360.3001 -108696.1979 299.8656 157.5834 190.1264 762273.3222 12.3756 12.4499 PRESSURE: 588600 202.349 -181.539 -7.56403 -181.539 -413.997 207.229 -7.56453 207.23 1.95207 GPRESSURE: 588600 194.452 -102.251 -47.3728 -73.9841 -319.687 217.679 -76.5306 70.1065 19.8909 PRESSAVG: 588600 25.5056 -30.2019 4.39628 -30.202 26.5533 26.5472 4.39631 26.5473 31.7319 GPRESSAVG: 588600 24.457 -29.7214 3.20962 -29.9702 26.7642 25.1795 3.75167 26.9709 32.8436 TIMING: 588600 CPU: 1854.04, 0.00316465/step Wall: 1854.04, 0.00316465/step, 3.87793 hours remaining, 234.585938 MB of memory in use. ENERGY: 588600 4024.1006 20620.7646 14422.2475 248.2660 -203056.3950 2314.2607 0.0000 0.0000 52174.5062 -109252.2495 299.8476 -161426.7556 -108889.8866 299.6483 -69.8987 -35.1148 762155.9474 27.9303 28.0216 PRESSURE: 588800 103.18 175.652 -65.4908 175.652 -254.414 24.9096 -65.4913 24.9093 -83.8543 GPRESSURE: 588800 103.462 167.344 -146.24 191.923 -244.164 46.3814 -81.2472 -44.8763 -18.3643 PRESSAVG: 588800 13.3221 -0.106568 -48.6033 -0.106586 -78.1821 80.9761 -48.6033 80.9761 -9.36025 GPRESSAVG: 588800 14.0509 -1.39139 -50.1988 0.319155 -78.124 82.4548 -47.1634 80.7151 -10.1967 TIMING: 588800 CPU: 1854.67, 0.00315894/step Wall: 1854.67, 0.00315894/step, 3.87076 hours remaining, 234.585938 MB of memory in use. ENERGY: 588800 3950.5056 20511.8745 14396.0332 240.7148 -202870.9518 2328.4822 0.0000 0.0000 51985.9576 -109457.3839 298.7640 -161443.3415 -109102.3548 298.9076 -78.3628 -53.0222 762485.2994 -24.7401 -24.7566 PRESSURE: 589000 -90.6707 -221.474 -3.57788 -221.474 -136.384 169.035 -3.57791 169.035 -2.27408 GPRESSURE: 589000 -65.4921 -232.297 123.298 -241.68 -65.929 231.724 -134.175 163.436 -12.6397 PRESSAVG: 589000 3.89478 -59.1503 -52.1293 -59.1503 -18.2528 94.7618 -52.1293 94.7618 14.1062 GPRESSAVG: 589000 3.22515 -57.6805 -50.9093 -60.5304 -18.0007 94.2222 -52.3425 94.4252 14.1416 TIMING: 589000 CPU: 1855.31, 0.00316409/step Wall: 1855.31, 0.00316409/step, 3.87689 hours remaining, 234.585938 MB of memory in use. ENERGY: 589000 3978.6610 20455.5336 14421.9439 245.7454 -203243.2681 2608.9859 0.0000 0.0000 52154.3105 -109378.0879 299.7315 -161532.3984 -109005.5792 299.0142 -76.4430 -48.0203 763566.5204 -0.0839 -0.2113 PRESSURE: 589200 -480.826 173.956 -152.207 173.957 250.52 117.702 -152.207 117.701 -118.379 GPRESSURE: 589200 -447.923 20.5924 -131.641 181.26 172.105 134.755 -196.889 52.7978 3.34182 PRESSAVG: 589200 -8.97656 -61.1751 -19.6511 -61.175 12.9997 40.5087 -19.6511 40.5086 -2.65436 GPRESSAVG: 589200 -8.25532 -62.2188 -19.009 -59.8443 12.5984 41.0088 -20.2162 40.5457 -2.62322 TIMING: 589200 CPU: 1855.94, 0.00314984/step Wall: 1855.94, 0.00314984/step, 3.85926 hours remaining, 234.585938 MB of memory in use. ENERGY: 589200 3967.1812 20678.3458 14392.6412 243.3185 -203175.9818 2584.1321 0.0000 0.0000 51736.8625 -109573.5005 297.3325 -161310.3629 -109214.9684 299.0895 -116.2284 -90.8254 762004.1699 0.4562 0.5733 PRESSURE: 589400 24.08 -71.8718 -55.5015 -71.8722 -203.625 -53.1848 -55.5013 -53.1843 -5.91208 GPRESSURE: 589400 -46.5195 7.59994 12.183 -24.0639 4.92665 -68.3277 6.13442 116.235 -40.7647 PRESSAVG: 589400 -13.0562 26.9526 6.1453 26.9526 41.659 2.11666 6.14531 2.11663 -6.8213 GPRESSAVG: 589400 -13.6718 26.8676 6.21941 27.3147 42.838 0.630877 7.4349 1.0143 -6.88598 TIMING: 589400 CPU: 1856.57, 0.0031658/step Wall: 1856.57, 0.0031658/step, 3.87863 hours remaining, 234.585938 MB of memory in use. ENERGY: 589400 3958.2305 20536.6586 14462.4822 232.3316 -203380.7489 2456.4369 0.0000 0.0000 52250.9320 -109483.6770 300.2868 -161734.6091 -109118.7979 299.4435 -61.8190 -27.4525 760765.3507 7.2605 7.4268 PRESSURE: 589600 -344.723 -129.082 -232.877 -129.083 -52.2052 5.6028 -232.878 5.60404 -106.396 GPRESSURE: 589600 -290.514 -111.003 -233.437 -162.923 -32.4454 7.97499 -275.773 -7.55944 -105.374 PRESSAVG: 589600 -23.2828 -5.45238 30.7546 -5.45241 1.98891 49.2918 30.7547 49.2918 0.588548 GPRESSAVG: 589600 -22.7748 -5.49103 31.5564 -6.91805 1.48031 49.9339 29.5544 51.0679 0.670605 TIMING: 589600 CPU: 1857.2, 0.00315721/step Wall: 1857.2, 0.00315721/step, 3.86793 hours remaining, 234.585938 MB of memory in use. ENERGY: 589600 3989.3366 20603.6492 14435.7198 255.6922 -202948.6546 2338.5196 0.0000 0.0000 51998.7711 -109326.9661 298.8377 -161325.7373 -108973.5478 299.2739 -167.7745 -142.7780 763289.2736 -6.9018 -6.8746 PRESSURE: 589800 -229.966 48.9269 -150.976 48.926 -61.9659 30.3554 -150.976 30.3555 -82.6367 GPRESSURE: 589800 -100.616 17.0444 -89.7508 30.4428 -87.1084 9.83123 -126.595 104.15 -83.0493 PRESSAVG: 589800 -43.0834 18.6185 -22.5409 18.6186 56.9995 15.3114 -22.5409 15.3115 -16.8732 GPRESSAVG: 589800 -42.4787 20.556 -23.3831 19.3891 55.3107 15.2923 -22.2664 15.5325 -16.2069 TIMING: 589800 CPU: 1857.83, 0.00316139/step Wall: 1857.83, 0.00316139/step, 3.87288 hours remaining, 234.585938 MB of memory in use. ENERGY: 589800 4028.4577 20709.2474 14460.1556 247.8093 -203344.2008 2685.8273 0.0000 0.0000 52120.5244 -109092.1793 299.5374 -161212.7037 -108724.2266 299.5146 -124.8560 -90.2578 763188.5372 -0.9857 -1.1250 PRESSURE: 590000 66.5002 170.175 -194.501 170.176 330.529 18.4509 -194.501 18.4508 95.4341 GPRESSURE: 590000 105.56 183.692 -153.408 103.693 333.622 -52.3687 -129.434 -64.7902 132.453 PRESSAVG: 590000 -37.9789 16.1337 -9.1132 16.1337 36.5301 -10.5495 -9.11321 -10.5495 -4.89492 GPRESSAVG: 590000 -38.6939 14.9955 -9.36383 15.5097 38.6494 -9.88591 -11.0778 -12.9788 -6.34144 TIMING: 590000 CPU: 1858.47, 0.00318278/step Wall: 1858.47, 0.00318278/step, 3.8989 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: 590000 3962.9181 20703.0690 14516.2785 239.7608 -204014.1072 3079.7825 0.0000 0.0000 52178.8981 -109333.4003 299.8728 -161512.2984 -108970.4357 299.7484 164.1545 190.5450 762593.7218 -2.1146 -2.1286 PRESSURE: 590200 216.892 139.306 39.9926 139.307 40.2824 -204.914 39.9922 -204.914 -47.8103 GPRESSURE: 590200 230.3 76.7546 83.847 122.499 91.6146 -202.839 -71.4765 -322.205 -33.5224 PRESSAVG: 590200 -66.6811 1.70324 9.08152 1.70326 34.7788 127.82 9.08155 127.82 20.7304 GPRESSAVG: 590200 -68.3366 0.491246 10.6009 1.42288 35.0085 128.573 10.3602 129.031 21.6227 TIMING: 590200 CPU: 1859.1, 0.0031739/step Wall: 1859.1, 0.00317391/step, 3.88786 hours remaining, 234.585938 MB of memory in use. ENERGY: 590200 3970.4991 20573.0708 14531.5228 243.7148 -203328.3714 2630.2947 0.0000 0.0000 51955.2925 -109423.9767 298.5878 -161379.2692 -109058.1260 299.3215 69.7881 96.1308 763322.4876 -3.7240 -3.9018 PRESSURE: 590400 -320.339 -264.696 136.79 -264.696 -241.188 18.319 136.79 18.3198 117.351 GPRESSURE: 590400 -206.801 -201.324 201.94 -319.279 -225.524 29.6879 112.595 85.8586 78.4841 PRESSAVG: 590400 -24.2242 -12.0543 -11.6184 -12.0543 -16.896 21.3582 -11.6185 21.3582 -34.9432 GPRESSAVG: 590400 -22.2695 -10.8603 -10.7975 -10.822 -17.7369 21.6475 -13.7505 20.0929 -35.3009 TIMING: 590400 CPU: 1859.74, 0.00316012/step Wall: 1859.74, 0.00316012/step, 3.87079 hours remaining, 234.585938 MB of memory in use. ENERGY: 590400 3921.5831 20439.6905 14503.1842 248.3673 -203274.6780 2609.1280 0.0000 0.0000 51883.6217 -109669.1032 298.1759 -161552.7249 -109304.0622 298.9183 -148.0589 -117.9469 761894.8055 -25.3545 -25.1024 PRESSURE: 590600 30.7875 233.167 -82.8379 233.167 -190.14 -170.188 -82.8383 -170.187 -348.871 GPRESSURE: 590600 -46.4231 151.52 -165 222.382 -124.013 -102.455 -20.194 -207.165 -243.038 PRESSAVG: 590600 -42.2456 -2.14787 -67.9884 -2.14782 34.9162 5.91241 -67.9885 5.91237 -2.33912 GPRESSAVG: 590600 -43.8316 -0.292295 -70.1494 -3.14328 36.8489 5.41631 -66.1296 5.83312 -2.80201 TIMING: 590600 CPU: 1860.37, 0.00317929/step Wall: 1860.37, 0.00317929/step, 3.8941 hours remaining, 234.585938 MB of memory in use. ENERGY: 590600 3935.8342 20376.0443 14497.0966 252.5179 -203429.8594 2543.7965 0.0000 0.0000 52142.3544 -109682.2153 299.6628 -161824.5698 -109319.6668 298.7449 -169.4076 -137.8248 761994.3502 -3.2228 -3.2616 PRESSURE: 590800 -206.855 -58.3668 -207.772 -58.3667 -276.782 -56.6235 -207.772 -56.624 68.4535 GPRESSURE: 590800 -168.07 -85.725 -229.119 -60.1502 -291.233 -48.8938 -266.878 -77.3184 124.772 PRESSAVG: 590800 -25.885 -17.9959 -36.7363 -17.996 31.8884 50.1273 -36.7363 50.1274 26.032 GPRESSAVG: 590800 -25.4288 -21.1637 -37.0346 -17.5526 31.1915 49.213 -36.1592 50.81 26.1897 TIMING: 590800 CPU: 1861, 0.00316499/step Wall: 1861, 0.00316499/step, 3.87641 hours remaining, 234.585938 MB of memory in use. ENERGY: 590800 3981.5651 20639.0277 14574.4109 255.1955 -203214.5749 2506.2529 0.0000 0.0000 51742.9502 -109515.1726 297.3674 -161258.1228 -109163.7833 298.5650 -138.3944 -111.5105 762155.9301 10.6785 10.6508 PRESSURE: 591000 -382.162 -185.957 -82.7673 -185.957 -128.62 -96.4918 -82.7676 -96.4908 103.366 GPRESSURE: 591000 -293.391 -155.867 -34.056 -83.1647 -161.942 -135.187 -56.5378 -158.724 151.429 PRESSAVG: 591000 -19.4515 -28.3544 -80.6273 -28.3544 42.0048 -33.0069 -80.6273 -33.007 11.9584 GPRESSAVG: 591000 -18.7366 -26.5707 -79.4572 -28.272 41.0089 -32.6543 -82.1255 -34.7051 11.7758 TIMING: 591000 CPU: 1861.64, 0.0031871/step Wall: 1861.64, 0.0031871/step, 3.90331 hours remaining, 234.585938 MB of memory in use. ENERGY: 591000 4033.3986 20616.1437 14433.6630 228.7916 -203071.6960 2487.0552 0.0000 0.0000 51885.5128 -109387.1311 298.1868 -161272.6439 -109037.8534 299.0072 -135.8054 -101.3013 761834.5958 11.5039 11.3493 PRESSURE: 591200 133.052 -228.856 53.071 -228.856 127.47 -96.4625 53.071 -96.4625 15.1483 GPRESSURE: 591200 233.907 -85.1064 57.9188 -184.146 86.7325 -121.257 58.6975 -59.2626 54.7074 PRESSAVG: 591200 -48.1315 -44.0139 -66.6941 -44.0139 34.0931 -20.5794 -66.6941 -20.5794 1.95196 GPRESSAVG: 591200 -47.4746 -44.2718 -67.6313 -44.5703 33.7543 -20.2085 -65.3764 -19.1974 1.69086 TIMING: 591200 CPU: 1862.28, 0.0031843/step Wall: 1862.28, 0.0031843/step, 3.8997 hours remaining, 234.585938 MB of memory in use. ENERGY: 591200 3897.1576 20431.9923 14419.6057 237.8919 -203364.0282 2788.4259 0.0000 0.0000 52145.8727 -109443.0821 299.6830 -161588.9548 -109083.2956 299.2277 91.8902 125.1156 762816.0958 -4.0288 -4.0098 PRESSURE: 591400 265.031 -20.8473 137.75 -20.8479 124.065 82.1573 137.75 82.1566 -531.305 GPRESSURE: 591400 214.682 -114.747 126.586 -80.5874 103.147 117.738 179.469 26.3728 -386.777 PRESSAVG: 591400 13.3376 -56.6833 -34.8363 -56.6834 24.0539 2.57462 -34.8363 2.57459 22.4036 GPRESSAVG: 591400 11.3624 -58.3015 -32.5824 -56.0175 25.3307 1.33099 -34.5847 3.45217 23.2306 TIMING: 591400 CPU: 1862.92, 0.00318698/step Wall: 1862.92, 0.00318698/step, 3.90281 hours remaining, 234.585938 MB of memory in use. ENERGY: 591400 3998.0286 20632.7319 14481.2998 238.2579 -203349.5276 2635.2814 0.0000 0.0000 52146.1853 -109217.7428 299.6848 -161363.9281 -108859.4357 299.2683 -47.4029 -22.9825 762462.0129 19.9317 19.9746 PRESSURE: 591600 -120.416 -216.965 -120.853 -216.966 44.757 64.4004 -120.852 64.4011 -201.636 GPRESSURE: 591600 -69.1848 -149.562 -119.68 -210.536 68.9123 60.5029 14.8905 121.627 -180.256 PRESSAVG: 591600 -53.8084 -31.3802 -48.9093 -31.3801 9.07594 26.0689 -48.9092 26.0689 -20.7329 GPRESSAVG: 591600 -53.8078 -31.5014 -52.1966 -29.7672 9.19001 27.2206 -48.1706 27.5835 -20.8364 TIMING: 591600 CPU: 1863.55, 0.00316951/step Wall: 1863.55, 0.00316951/step, 3.88124 hours remaining, 234.585938 MB of memory in use. ENERGY: 591600 4008.0061 20497.2875 14462.2862 264.5370 -203267.9538 2607.6911 0.0000 0.0000 52264.9169 -109163.2290 300.3672 -161428.1459 -108796.4370 299.7465 -92.4315 -60.1761 761371.7438 -21.8218 -21.8181 PRESSURE: 591800 47.5371 115.863 -62.0042 115.865 -195.674 259.405 -62.004 259.405 159.317 GPRESSURE: 591800 71.3692 56.1927 -38.2859 96.6397 -120.607 171.789 -148.368 223.247 156.604 PRESSAVG: 591800 1.47902 -37.9967 -23.8305 -37.9968 -3.85512 -8.13381 -23.8305 -8.13383 -0.945056 GPRESSAVG: 591800 2.27718 -36.4652 -25.0209 -40.1397 -3.52775 -8.19557 -23.2397 -9.5365 -1.83081 TIMING: 591800 CPU: 1864.18, 0.00317362/step Wall: 1864.18, 0.00317362/step, 3.8861 hours remaining, 234.585938 MB of memory in use. ENERGY: 591800 4081.9127 20343.4426 14495.0626 258.3547 -203078.8771 2550.8011 0.0000 0.0000 52455.7088 -108893.5946 301.4637 -161349.3033 -108521.5973 299.7859 3.7267 35.7886 761034.0236 -1.1071 -1.0271 PRESSURE: 592000 -27.7647 -118.209 -98.1933 -118.209 323.276 -223.545 -98.1935 -223.545 650.63 GPRESSURE: 592000 27.4046 -96.9928 -173.967 -162.589 296.1 -260.637 -5.02042 -198.135 713.036 PRESSAVG: 592000 -13.1711 -54.4536 18.1565 -54.4535 14.5898 24.194 18.1564 24.194 26.2389 GPRESSAVG: 592000 -14.3992 -56.5708 20.2748 -55.3083 14.3453 25.2457 17.4189 23.1745 27.6736 TIMING: 592000 CPU: 1864.82, 0.00317165/step Wall: 1864.82, 0.00317165/step, 3.88351 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: 592000 4005.6140 20500.1503 14503.3626 233.0451 -203289.1977 2741.6435 0.0000 0.0000 52198.1939 -109107.1883 299.9837 -161305.3822 -108745.2703 300.1080 315.3805 345.5135 760435.7079 9.2192 9.2066 PRESSURE: 592200 -65.472 -100.467 82.0877 -100.467 72.8226 145.829 82.0881 145.828 -60.038 GPRESSURE: 592200 29.5304 -122.026 68.9635 -79.994 -9.57787 191.327 93.4466 209.244 -4.27506 PRESSAVG: 592200 62.7669 -69.1804 46.1701 -69.1804 -21.107 30.3215 46.1701 30.3215 18.9031 GPRESSAVG: 592200 64.4443 -68.7467 44.7312 -67.1023 -21.4289 27.6911 47.0313 32.2247 16.6633 TIMING: 592200 CPU: 1865.45, 0.00316146/step Wall: 1865.45, 0.00316146/step, 3.87085 hours remaining, 234.585938 MB of memory in use. ENERGY: 592200 3942.8209 20720.4375 14513.7764 245.3842 -203367.7945 2550.6991 0.0000 0.0000 52339.0307 -109055.6457 300.7931 -161394.6764 -108697.6350 300.4423 -17.5625 5.2258 761888.9216 20.1877 19.8929 LDB: ============= START OF LOAD BALANCING ============== 1877.9 LDB: ============== END OF LOAD BALANCING =============== 1877.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1877.91 LDB: ============= START OF LOAD BALANCING ============== 1878.22 LDB: Largest compute 7073 load 0.037253 is 19.1% of average load 0.194886 LDB: Average compute 0.004388 is 2.3% of average load 0.194886 LDB: TIME 1878.23 LOAD: AVG 0.194886 MAX 0.214659 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 1878.23 LOAD: AVG 0.194886 MAX 0.214659 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 1878.23 LOAD: AVG 0.194886 MAX 0.214659 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 1878.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1878.23 PRESSURE: 592400 276.282 -306.434 63.6262 -306.434 351.107 114.251 63.6257 114.251 79.642 GPRESSURE: 592400 343.451 -194.935 -34.5066 -328.667 318.615 25.5602 65.0185 -65.8952 108.836 PRESSAVG: 592400 -2.33055 -51.9157 44.5004 -51.9157 -27.5717 -16.8156 44.5003 -16.8157 -24.3976 GPRESSAVG: 592400 -2.41185 -52.2833 47.4948 -52.8654 -28.964 -14.9537 43.01 -19.1123 -22.6493 TIMING: 592400 CPU: 1866.1, 0.00323767/step Wall: 1866.1, 0.00323767/step, 3.96399 hours remaining, 234.914062 MB of memory in use. ENERGY: 592400 4046.0827 20593.1644 14418.2479 238.9154 -203157.5340 2702.4500 0.0000 0.0000 52082.3196 -109076.3540 299.3178 -161158.6736 -108716.7332 299.6937 235.6771 256.9675 761597.1166 -18.1000 -18.0084 PRESSURE: 592600 170.709 3.7682 -147.614 3.76728 -128.202 -110.906 -147.614 -110.906 3.58166 GPRESSURE: 592600 115.388 12.0121 -121.452 111.631 107.084 -50.927 -279.765 -26.1722 -85.7294 PRESSAVG: 592600 4.00727 -46.886 -12.6482 -46.8861 -19.3381 53.1015 -12.6483 53.1013 -0.547042 GPRESSAVG: 592600 3.31032 -46.0638 -14.663 -47.3079 -17.7185 54.0679 -12.6541 53.5105 -0.945628 TIMING: 592600 CPU: 1866.73, 0.00315996/step Wall: 1866.73, 0.00315996/step, 3.86867 hours remaining, 234.914062 MB of memory in use. ENERGY: 592600 3967.8083 20631.1129 14510.0073 252.9294 -203303.3145 2555.7976 0.0000 0.0000 52301.5400 -109084.1190 300.5777 -161385.6590 -108722.4691 299.7930 15.3629 45.5810 758938.4946 -5.2926 -5.1179 PRESSURE: 592800 131.529 -75.3166 -45.1198 -75.3167 57.0856 -91.8419 -45.1194 -91.8422 271.984 GPRESSURE: 592800 218.705 -41.8917 -84.5676 9.61955 28.7169 -47.1906 -33.6869 -131.37 292.485 PRESSAVG: 592800 -53.2131 -39.4188 -16.4183 -39.4188 6.16202 6.02589 -16.4183 6.02592 12.8875 GPRESSAVG: 592800 -52.2323 -39.6008 -16.3327 -38.8269 4.99613 6.05788 -15.145 5.11778 12.8967 TIMING: 592800 CPU: 1867.36, 0.00316608/step Wall: 1867.36, 0.00316608/step, 3.87598 hours remaining, 234.914062 MB of memory in use. ENERGY: 592800 3804.4805 20455.1868 14536.2123 244.7365 -203171.4386 2702.0748 0.0000 0.0000 52204.6000 -109224.1476 300.0206 -161428.7477 -108852.8536 299.9357 153.5329 179.9689 761319.5434 -11.3879 -11.4465 PRESSURE: 593000 15.3109 30.3688 -150.635 30.3681 53.6992 24.9914 -150.635 24.9904 -50.4629 GPRESSURE: 593000 39.7225 69.2789 -137.353 -33.6683 68.2972 -70.4489 -37.1273 15.1528 4.79934 PRESSAVG: 593000 27.897 -37.9489 -38.109 -37.9489 -12.11 65.8176 -38.1089 65.8175 -7.11469 GPRESSAVG: 593000 27.1615 -37.9494 -37.9125 -38.231 -11.7639 64.7512 -36.2108 67.4397 -6.96923 TIMING: 593000 CPU: 1868, 0.00316202/step Wall: 1868, 0.00316202/step, 3.87083 hours remaining, 234.914062 MB of memory in use. ENERGY: 593000 3955.8330 20624.7153 14474.2188 247.1405 -203113.0160 2776.5563 0.0000 0.0000 51865.7703 -109168.7819 298.0733 -161034.5522 -108817.5167 299.4511 6.1824 37.6063 762672.7672 2.8908 2.8095 PRESSURE: 593200 -17.4174 -192.848 62.5831 -192.848 -140.225 -322.424 62.5836 -322.424 126.148 GPRESSURE: 593200 5.59835 -124.474 89.3407 -238.419 -103.395 -395.074 48.5075 -159.414 137.568 PRESSAVG: 593200 -16.6364 -76.5382 -1.93946 -76.5382 48.0905 17.7311 -1.93939 17.731 -7.44304 GPRESSAVG: 593200 -16.6049 -76.0398 -1.21283 -76.9939 48.016 17.9173 -4.90815 17.8657 -7.46657 TIMING: 593200 CPU: 1868.63, 0.00317439/step Wall: 1868.63, 0.00317439/step, 3.8858 hours remaining, 234.914062 MB of memory in use. ENERGY: 593200 3977.0016 20635.8780 14461.1113 255.2428 -203089.7821 2436.4023 0.0000 0.0000 52174.2738 -109149.8723 299.8463 -161324.1461 -108789.7568 300.0142 -10.4982 13.2570 760912.3196 8.0037 7.9815 PRESSURE: 593400 208.39 -45.7538 177.52 -45.7548 321.307 -23.7051 177.519 -23.7063 204.529 GPRESSURE: 593400 207.947 80.0741 143.099 -46.7985 414.352 22.9283 195.979 -118.526 216.25 PRESSAVG: 593400 31.2943 -7.51707 53.744 -7.51707 9.36761 6.30421 53.744 6.30412 0.212041 GPRESSAVG: 593400 30.8503 -7.20197 52.1769 -6.42398 10.3354 7.15534 53.3659 5.23299 -0.438589 TIMING: 593400 CPU: 1869.26, 0.0031663/step Wall: 1869.26, 0.0031663/step, 3.87573 hours remaining, 234.914062 MB of memory in use. ENERGY: 593400 3991.9415 20487.1092 14529.9476 237.2663 -203355.7719 2766.7913 0.0000 0.0000 52243.0161 -109099.6998 300.2413 -161342.7159 -108731.7289 300.1684 244.7420 279.5165 759707.3165 13.6246 13.5824 PRESSURE: 593600 213.203 1.85298 -39.4869 1.85374 260.42 65.7327 -39.4864 65.7332 216.417 GPRESSURE: 593600 175.551 -30.5581 8.89199 -30.8604 334.481 130.232 -13.3407 -34.2058 244.751 PRESSAVG: 593600 29.0431 -25.6774 16.3289 -25.6775 -8.19241 51.2786 16.3289 51.2786 -9.85163 GPRESSAVG: 593600 29.4999 -24.6832 16.6749 -25.948 -9.12454 50.968 19.231 50.4834 -9.37989 TIMING: 593600 CPU: 1869.9, 0.00316588/step Wall: 1869.9, 0.00316588/step, 3.87504 hours remaining, 234.914062 MB of memory in use. ENERGY: 593600 3902.9251 20559.7600 14455.1005 219.8623 -203194.9900 2502.0184 0.0000 0.0000 52330.1739 -109225.1497 300.7422 -161555.3237 -108858.7517 299.9580 230.0133 251.5946 759557.8436 3.6664 3.6651 PRESSURE: 593800 168.463 -163.556 29.7517 -163.556 217.472 -194.678 29.7523 -194.68 455.31 GPRESSURE: 593800 150.499 -125.477 5.16792 -57.7896 280.237 -196.515 66.9116 -16.4681 505.634 PRESSAVG: 593800 -2.97387 -51.8413 52.3154 -51.8414 -12.6467 11.8596 52.3154 11.8596 8.94967 GPRESSAVG: 593800 -2.96633 -52.3713 53.0698 -50.8803 -11.5794 11.8327 51.2405 15.3262 8.03059 TIMING: 593800 CPU: 1870.53, 0.00316971/step Wall: 1870.53, 0.00316971/step, 3.87955 hours remaining, 234.914062 MB of memory in use. ENERGY: 593800 4019.1646 20527.2033 14481.7602 240.8743 -203885.4642 3036.0931 0.0000 0.0000 52082.3531 -109498.0157 299.3180 -161580.3688 -109137.0515 299.4369 280.4149 312.1235 758403.1893 -2.2236 -2.1717 PRESSURE: 594000 -144.947 -6.89289 76.341 -6.89268 193.9 -52.3195 76.3399 -52.32 377.605 GPRESSURE: 594000 -5.9563 -41.1359 56.7931 -79.703 124.559 -88.9377 38.3838 -10.4397 394.852 PRESSAVG: 594000 -25.2765 -25.6919 -6.57626 -25.6919 -5.83216 46.7275 -6.57631 46.7275 0.920154 GPRESSAVG: 594000 -23.9603 -24.8408 -8.34052 -25.9926 -7.15674 46.1917 -5.77311 46.9793 0.959776 TIMING: 594000 CPU: 1871.17, 0.00318001/step Wall: 1871.17, 0.00318001/step, 3.89197 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: 594000 3970.8874 20643.3851 14565.4036 233.1499 -203649.3124 2725.8266 0.0000 0.0000 52163.1297 -109347.5301 299.7822 -161510.6598 -108988.9477 299.7168 142.1858 171.1517 760214.5009 -10.0628 -10.0524 PRESSURE: 594200 -208.02 42.4671 -154.26 42.4671 -5.44685 7.73691 -154.26 7.73601 275.476 GPRESSURE: 594200 -84.9359 57.7434 -165.461 48.3654 -64.0399 66.2056 -210.413 -71.3676 283.028 PRESSAVG: 594200 -0.443846 -43.8618 -9.57408 -43.8617 30.2518 1.15669 -9.57413 1.15679 -7.4001 GPRESSAVG: 594200 0.228652 -43.7344 -8.25083 -43.6139 30.3453 0.562888 -11.463 1.29487 -8.13037 TIMING: 594200 CPU: 1871.8, 0.00318513/step Wall: 1871.8, 0.00318513/step, 3.89807 hours remaining, 234.914062 MB of memory in use. ENERGY: 594200 4050.5873 20608.3730 14468.4875 238.2514 -203826.1280 2963.5908 0.0000 0.0000 52120.8094 -109376.0286 299.5390 -161496.8380 -109018.3390 299.9282 20.6696 44.6841 760357.5910 7.4693 7.4812 PRESSURE: 594400 -49.5705 -16.615 -13.7756 -16.6152 -143.558 77.7376 -13.7759 77.7379 -387.791 GPRESSURE: 594400 -81.0869 -40.2244 49.1364 155.701 -52.4793 53.2833 -58.9348 87.4123 -343.262 PRESSAVG: 594400 56.6299 1.33349 30.2918 1.33349 6.35018 -6.81794 30.2918 -6.8179 -21.7003 GPRESSAVG: 594400 55.5274 -0.433503 30.4379 2.12945 6.40177 -6.68443 32.9413 -6.64314 -19.9375 TIMING: 594400 CPU: 1872.44, 0.00316613/step Wall: 1872.44, 0.00316613/step, 3.87464 hours remaining, 234.914062 MB of memory in use. ENERGY: 594400 3994.3833 20632.7357 14509.7247 249.0146 -203147.9370 2339.1537 0.0000 0.0000 52110.9435 -109311.9815 299.4823 -161422.9250 -108942.8398 299.4748 -193.6397 -158.9428 760207.0520 13.7599 13.9972 PRESSURE: 594600 -54.0483 -172.355 32.9945 -172.355 -86.0927 -98.1331 32.9952 -98.134 -178.709 GPRESSURE: 594600 -85.366 -110.818 46.712 -146.51 -36.5984 -36.2801 -2.46166 -75.0512 -123.983 PRESSAVG: 594600 -4.88442 -33.8756 8.83198 -33.8757 -4.22132 -8.16663 8.83202 -8.16662 -4.1864 GPRESSAVG: 594600 -4.34426 -33.1534 6.91745 -33.7649 -2.75341 -7.00011 7.85181 -9.3646 -6.3846 TIMING: 594600 CPU: 1873.07, 0.00316622/step Wall: 1873.07, 0.00316622/step, 3.87457 hours remaining, 234.914062 MB of memory in use. ENERGY: 594600 4065.2912 20541.0053 14442.1902 257.4134 -203634.7234 2621.9138 0.0000 0.0000 52349.0802 -109357.8292 300.8509 -161706.9095 -108991.9019 300.1370 -106.2832 -81.9825 760846.8269 -4.4307 -4.4941 PRESSURE: 594800 -72.2179 -148.731 36.1461 -148.732 -110.064 -235.328 36.1462 -235.328 -181.021 GPRESSURE: 594800 -77.256 -118.192 67.944 -115.328 -80.5247 -167.781 -128.236 -295.656 -101.556 PRESSAVG: 594800 4.56119 -43.2804 -22.3171 -43.2805 -7.22364 27.8476 -22.317 27.8475 3.08849 GPRESSAVG: 594800 3.98321 -41.7817 -21.0791 -44.5624 -8.04976 27.3101 -21.6669 26.6863 4.47705 TIMING: 594800 CPU: 1873.71, 0.00317573/step Wall: 1873.71, 0.00317573/step, 3.88604 hours remaining, 234.914062 MB of memory in use. ENERGY: 594800 4051.3336 20556.5532 14484.2531 254.5498 -203452.0512 2545.1090 0.0000 0.0000 52160.1565 -109400.0960 299.7651 -161560.2525 -109022.0558 299.3244 -121.1010 -86.4456 761601.6742 0.1420 0.1368 PRESSURE: 595000 -9.98306 -72.3426 156.944 -72.3429 -329.958 152.678 156.945 152.678 -409.063 GPRESSURE: 595000 -36.6215 -53.2308 138.328 -122.028 -220.851 154.681 94.4815 80.2546 -391.668 PRESSAVG: 595000 7.18546 -41.6461 34.8007 -41.6461 3.82198 46.7537 34.8007 46.7536 0.816722 GPRESSAVG: 595000 6.88205 -42.6248 34.5468 -41.3386 3.73505 48.2634 32.0411 45.4852 1.09947 TIMING: 595000 CPU: 1874.34, 0.00316036/step Wall: 1874.34, 0.00316036/step, 3.86705 hours remaining, 234.914062 MB of memory in use. ENERGY: 595000 4073.1601 20561.4732 14432.0401 258.7688 -203462.9303 2554.3262 0.0000 0.0000 52289.8793 -109293.2827 300.5107 -161583.1619 -108931.9588 299.5392 -249.6679 -216.3800 761827.5437 3.9414 3.9055 PRESSURE: 595200 -173.478 -7.69651 -91.9529 -7.69624 -279.823 318.259 -91.9527 318.259 -227.613 GPRESSURE: 595200 -256.89 44.585 -6.9431 72.3787 -169.592 306.614 -76.8515 317.816 -181.824 PRESSAVG: 595200 36.6309 -99.8997 23.7176 -99.8997 -9.92977 20.4272 23.7175 20.4271 -22.3981 GPRESSAVG: 595200 37.8224 -101.815 24.512 -99.2843 -10.3652 18.6695 24.6658 24.1897 -22.8606 TIMING: 595200 CPU: 1874.97, 0.00316529/step Wall: 1874.97, 0.00316529/step, 3.87291 hours remaining, 234.914062 MB of memory in use. ENERGY: 595200 4103.9300 20698.0415 14522.6030 256.4620 -203113.2722 2320.9904 0.0000 0.0000 51983.0159 -109228.2293 298.7471 -161211.2452 -108870.3765 299.1108 -226.9714 -202.7686 763108.2534 1.4343 1.5322 PRESSURE: 595400 12.5984 76.3721 -61.136 76.3722 -219.608 -13.5586 -61.1365 -13.5591 34.5044 GPRESSURE: 595400 85.8445 -9.76856 -31.358 76.0285 -183.742 33.4117 -143.718 63.5216 35.734 PRESSAVG: 595400 5.28111 -27.8007 5.93753 -27.8007 -15.7791 50.4204 5.93757 50.4204 15.935 GPRESSAVG: 595400 2.97872 -27.3296 4.68945 -27.9176 -14.1491 51.9622 6.84154 48.7002 15.8432 TIMING: 595400 CPU: 1875.6, 0.00315735/step Wall: 1875.6, 0.00315735/step, 3.86302 hours remaining, 234.914062 MB of memory in use. ENERGY: 595400 4060.2073 20465.5604 14540.3066 254.3189 -203111.4732 2508.8636 0.0000 0.0000 51964.8934 -109317.3231 298.6430 -161282.2165 -108957.9246 299.3338 -57.5018 -20.7212 761706.5506 1.8123 1.5576 PRESSURE: 595600 275.046 -86.5046 -40.98 -86.5047 -40.2407 197.738 -40.9801 197.737 142.446 GPRESSURE: 595600 204.256 -124.276 23.8691 -49.81 58.2384 195.606 12.0378 176.971 204.413 PRESSAVG: 595600 -21.2935 -6.75247 -10.1706 -6.75246 -3.40291 21.4008 -10.1705 21.4008 -28.3311 GPRESSAVG: 595600 -20.9036 -6.56657 -8.62935 -4.72208 -4.55659 20.4706 -9.71663 22.3013 -27.7287 TIMING: 595600 CPU: 1876.23, 0.00315792/step Wall: 1876.23, 0.00315792/step, 3.86354 hours remaining, 234.914062 MB of memory in use. ENERGY: 595600 4009.9541 20450.2259 14502.2878 249.9078 -203634.2387 2938.6491 0.0000 0.0000 52106.7761 -109376.4378 299.4584 -161483.2139 -109007.2579 299.3323 125.7505 155.6357 760626.5056 -17.6758 -17.7296 PRESSURE: 595800 -453.897 62.2994 239.634 62.3004 -62.6693 -38.9206 239.634 -38.92 -264.733 GPRESSURE: 595800 -310.525 89.9837 194.196 94.7151 -134.383 -89.7003 206.652 -31.2093 -259.884 PRESSAVG: 595800 -14.6261 -14.7579 15.358 -14.7578 2.50455 2.34679 15.358 2.34684 4.90921 GPRESSAVG: 595800 -13.1438 -15.2543 16.6162 -17.3182 1.37985 2.93703 14.2485 0.508277 4.07873 TIMING: 595800 CPU: 1876.87, 0.0031595/step Wall: 1876.87, 0.0031595/step, 3.8653 hours remaining, 234.914062 MB of memory in use. ENERGY: 595800 4013.7100 20419.5084 14490.5886 241.4480 -203090.3392 2344.5191 0.0000 0.0000 52072.3190 -109508.2462 299.2603 -161580.5652 -109139.1160 298.7942 -260.4332 -234.9308 762044.9038 -2.4041 -2.5617 PRESSURE: 596000 -275.653 119.006 -252.342 119.005 -145.959 -182.73 -252.342 -182.731 -37.6363 GPRESSURE: 596000 -264.201 40.0015 -192.832 128.772 -138.811 -127.072 -338.886 -147.48 27.7167 PRESSAVG: 596000 12.4097 -8.60434 4.98616 -8.60437 34.5612 26.6052 4.98612 26.6052 -15.7849 GPRESSAVG: 596000 11.4092 -10.2732 2.74502 -8.34599 34.9655 25.3791 7.08205 29.2518 -15.4756 TIMING: 596000 CPU: 1877.5, 0.00317414/step Wall: 1877.5, 0.00317414/step, 3.88303 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: 596000 4061.2973 20621.9967 14407.8253 224.0140 -203280.3067 2697.9748 0.0000 0.0000 51896.3161 -109370.8825 298.2488 -161267.1986 -109008.2945 298.9683 -153.0826 -125.0983 763325.8715 10.3953 10.2997 PRESSURE: 596200 186.098 -98.0939 67.3085 -98.0945 151.746 305.832 67.3085 305.831 172.804 GPRESSURE: 596200 236.678 -125.893 51.3717 -95.5143 301.083 414.887 141.47 169.074 50.6694 PRESSAVG: 596200 -56.8136 -7.12994 -54.7258 -7.13002 40.7628 14.8183 -54.7258 14.8182 -14.9368 GPRESSAVG: 596200 -57.1864 -6.635 -54.5239 -5.98135 42.3003 16.196 -54.6621 14.7315 -15.8334 TIMING: 596200 CPU: 1878.13, 0.00314939/step Wall: 1878.13, 0.00314939/step, 3.85258 hours remaining, 234.914062 MB of memory in use. ENERGY: 596200 3989.9700 20384.7523 14474.1580 245.4560 -203595.3137 2690.5825 0.0000 0.0000 52468.7111 -109341.6838 301.5384 -161810.3948 -108973.9764 299.1063 170.2161 196.1436 762761.7526 -10.3292 -10.2398 LDB: ============= START OF LOAD BALANCING ============== 1890.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1890.58 LDB: =============== DONE WITH MIGRATION ================ 1890.58 LDB: ============= START OF LOAD BALANCING ============== 1890.9 LDB: Largest compute 7073 load 0.035499 is 18.2% of average load 0.194921 LDB: Average compute 0.004394 is 2.3% of average load 0.194921 LDB: TIME 1890.9 LOAD: AVG 0.194921 MAX 0.213273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 1890.9 LOAD: AVG 0.194921 MAX 0.213273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: TIME 1890.9 LOAD: AVG 0.194921 MAX 0.213273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: ============== END OF LOAD BALANCING =============== 1890.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1890.91 PRESSURE: 596400 160.53 -244.857 84.4848 -244.857 46.5752 -181.859 84.4846 -181.858 -261.416 GPRESSURE: 596400 239.688 -142.989 119.447 -244.804 39.6733 -190.287 99.0625 -274.477 -245.817 PRESSAVG: 596400 -17.154 -4.8509 7.33906 -4.85093 37.741 -18.7216 7.33907 -18.7215 -3.55273 GPRESSAVG: 596400 -16.3454 -4.78728 7.65179 -5.3445 36.4046 -19.9455 4.4222 -18.4728 -2.68181 TIMING: 596400 CPU: 1878.78, 0.00322418/step Wall: 1878.78, 0.00322418/step, 3.94389 hours remaining, 236.839844 MB of memory in use. ENERGY: 596400 3978.9566 20579.0606 14470.3433 257.9787 -203205.9748 2683.2090 0.0000 0.0000 51850.2334 -109386.1931 297.9840 -161236.4265 -109031.8545 299.0600 -18.1038 11.1814 763351.0857 5.6781 5.7925 PRESSURE: 596600 -158.456 -2.53959 301.693 -2.53846 -187.96 -9.24288 301.692 -9.24192 -386.671 GPRESSURE: 596600 -221.476 -1.80482 301.484 -59.6587 -181.769 15.2231 255.007 37.8471 -252.799 PRESSAVG: 596600 -21.5464 -66.183 -21.1394 -66.1831 21.873 18.8977 -21.1394 18.8977 -1.10272 GPRESSAVG: 596600 -21.941 -66.234 -21.9655 -65.2292 22.2892 19.8988 -18.5182 17.2706 -1.60432 TIMING: 596600 CPU: 1879.41, 0.00315237/step Wall: 1879.41, 0.00315237/step, 3.85587 hours remaining, 237.101562 MB of memory in use. ENERGY: 596600 3943.1486 20741.8242 14510.5954 240.4565 -202921.9257 2277.6857 0.0000 0.0000 51920.5901 -109287.6252 298.3883 -161208.2153 -108936.7916 299.3545 -244.3624 -218.6814 763167.1465 -0.2587 -0.4187 PRESSURE: 596800 -10.6967 105.668 19.7834 105.667 -520.719 -21.6799 19.7831 -21.6805 -426.757 GPRESSURE: 596800 21.4604 97.4383 -7.72542 181.973 -494.665 -53.3843 -13.5614 -33.5752 -406.95 PRESSAVG: 596800 -24.66 -38.0843 -1.18832 -38.0843 28.5353 -5.30517 -1.18833 -5.30521 -7.90493 GPRESSAVG: 596800 -24.833 -36.8553 -1.02325 -38.3913 27.805 -6.19538 -1.75626 -5.18343 -7.64423 TIMING: 596800 CPU: 1880.04, 0.00315387/step Wall: 1880.04, 0.00315387/step, 3.85753 hours remaining, 237.167969 MB of memory in use. ENERGY: 596800 3966.1949 20548.5052 14405.1235 261.1604 -203201.7315 2652.0866 0.0000 0.0000 52026.8903 -109341.7709 298.9993 -161368.6611 -108971.1372 299.2606 -319.3910 -293.3847 763742.6790 -1.3432 -1.5574 PRESSURE: 597000 -483.066 -22.1139 210.862 -22.1143 76.2301 -156.078 210.862 -156.078 0.367212 GPRESSURE: 597000 -368.499 -36.9487 221.982 17.1239 -3.41289 -184.508 190.071 -96.5603 57.6909 PRESSAVG: 597000 9.14382 -11.0917 -24.6749 -11.0918 -17.0865 -15.0779 -24.6748 -15.078 1.07035 GPRESSAVG: 597000 10.7531 -11.5521 -23.5088 -10.5963 -17.2409 -13.4757 -27.1434 -13.7038 -0.234982 TIMING: 597000 CPU: 1880.67, 0.00315032/step Wall: 1880.67, 0.00315032/step, 3.85301 hours remaining, 237.167969 MB of memory in use. ENERGY: 597000 4027.7015 20389.6706 14452.2662 235.2919 -203184.5129 2654.3324 0.0000 0.0000 52018.9923 -109406.2579 298.9539 -161425.2502 -109036.7459 299.2024 -135.4897 -104.7404 763452.8750 -2.2908 -2.2409 PRESSURE: 597200 160.524 11.7765 32.4965 11.7774 -72.956 83.1225 32.496 83.1214 24.5308 GPRESSURE: 597200 158.456 -38.9659 46.6658 86.4315 -65.6223 79.3442 -40.686 70.8267 95.3649 PRESSAVG: 597200 5.39327 -0.546452 -36.3517 -0.546503 4.10115 36.2896 -36.3517 36.2896 22.9262 GPRESSAVG: 597200 5.07584 -0.527467 -34.5575 -1.86634 4.01005 36.0122 -33.277 36.5188 23.6846 TIMING: 597200 CPU: 1881.3, 0.00315547/step Wall: 1881.3, 0.00315547/step, 3.85914 hours remaining, 237.167969 MB of memory in use. ENERGY: 597200 4040.4824 20599.5226 14486.9988 246.2066 -203075.9701 2551.3414 0.0000 0.0000 51901.4505 -109249.9677 298.2783 -161151.4182 -108891.8933 298.9206 37.3663 62.7328 761823.5184 10.8069 10.9235 PRESSURE: 597400 -160.723 -16.7276 233.12 -16.7289 5.05471 -243.765 233.12 -243.764 201.16 GPRESSURE: 597400 -185.675 -45.3732 254.389 -53.5421 138.633 -204.343 137.842 -134.906 184.409 PRESSAVG: 597400 2.41918 -19.4178 7.44609 -19.4179 16.1493 38.3383 7.44611 38.3383 -8.15055 GPRESSAVG: 597400 1.12895 -21.208 4.87832 -18.5229 16.7082 37.4703 5.6427 37.8043 -7.51884 TIMING: 597400 CPU: 1881.93, 0.00316546/step Wall: 1881.93, 0.00316546/step, 3.87118 hours remaining, 237.167969 MB of memory in use. ENERGY: 597400 3963.5460 20479.7647 14512.8774 237.0190 -203039.9321 2542.1739 0.0000 0.0000 51972.5997 -109331.9514 298.6872 -161304.5511 -108958.9340 299.6800 15.1639 45.7891 761939.7785 3.4727 3.4394 PRESSURE: 597600 -260.591 110.009 -14.1688 110.009 -48.6486 -17.8508 -14.1689 -17.8536 -65.1518 GPRESSURE: 597600 -243.67 183.421 -83.3036 -10.1654 -6.11635 -10.8422 109.111 -60.1841 -34.707 PRESSAVG: 597600 -0.118708 -63.8852 40.5491 -63.8852 -13.7801 -11.1769 40.5492 -11.1769 -9.40713 GPRESSAVG: 597600 -0.913972 -59.8854 40.6441 -66.7378 -12.521 -10.8443 41.2289 -11.4409 -9.60272 TIMING: 597600 CPU: 1882.56, 0.00316409/step Wall: 1882.56, 0.0031641/step, 3.86934 hours remaining, 237.167969 MB of memory in use. ENERGY: 597600 3915.6523 20580.9792 14420.1196 263.5714 -202981.3524 2656.3603 0.0000 0.0000 52128.5944 -109016.0752 299.5837 -161144.6696 -108654.6208 299.8213 -124.7970 -94.8311 762128.6095 -7.7687 -7.6792 PRESSURE: 597800 46.4466 14.6494 47.5519 14.6494 131.178 196.955 47.5521 196.955 171.259 GPRESSURE: 597800 53.2885 -82.2212 20.8023 79.9131 216.712 163.619 -27.256 197.489 162.335 PRESSAVG: 597800 -9.10069 -14.854 9.31999 -14.8539 -8.75989 3.01279 9.31998 3.01275 4.88402 GPRESSAVG: 597800 -8.14716 -17.1326 7.59891 -12.0016 -9.78201 2.86413 9.74466 4.5267 5.0319 TIMING: 597800 CPU: 1883.2, 0.00316664/step Wall: 1883.2, 0.00316664/step, 3.87227 hours remaining, 237.167969 MB of memory in use. ENERGY: 597800 4011.3849 20632.2846 14398.6384 260.0032 -203253.2820 2713.3325 0.0000 0.0000 52028.3484 -109209.2900 299.0076 -161237.6385 -108861.0844 299.3896 116.2943 144.1118 761710.4289 -4.3255 -4.2991 PRESSURE: 598000 89.0288 131.114 -7.08698 131.113 74.0698 -82.4656 -7.08679 -82.4673 437.539 GPRESSURE: 598000 94.8163 143.72 38.0624 50.2026 63.3591 -73.2661 -95.2602 -146.033 524.503 PRESSAVG: 598000 -11.7287 -73.061 6.41823 -73.0609 13.0328 -18.9978 6.41825 -18.9979 42.3624 GPRESSAVG: 598000 -12.4921 -73.6755 8.71097 -74.7256 13.5104 -21.1697 5.20625 -17.6561 42.7617 TIMING: 598000 CPU: 1883.83, 0.00315724/step Wall: 1883.83, 0.00315724/step, 3.86061 hours remaining, 237.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 598000 3999.9835 20495.5928 14516.3013 240.7035 -203268.1094 2799.3658 0.0000 0.0000 52082.4043 -109133.7581 299.3183 -161216.1624 -108771.4036 299.4061 200.2125 227.5594 760317.9387 14.5555 14.5933 PRESSURE: 598200 35.3985 -67.5103 -308.927 -67.5095 -222.227 187.638 -308.927 187.638 200.284 GPRESSURE: 598200 109.961 25.1112 -317.854 88.9191 -171.988 206.371 -163.844 39.2332 147.438 PRESSAVG: 598200 30.6025 9.68122 -10.9873 9.6813 11.1005 -14.0741 -10.9873 -14.0741 -4.17139 GPRESSAVG: 598200 30.4329 9.65249 -10.5003 12.0417 10.4882 -11.8242 -9.88734 -16.322 -4.34525 TIMING: 598200 CPU: 1884.46, 0.00315609/step Wall: 1884.46, 0.00315609/step, 3.85902 hours remaining, 237.156250 MB of memory in use. ENERGY: 598200 3968.0965 20438.4279 14561.9870 245.8119 -203267.7772 2275.3902 0.0000 0.0000 52362.1411 -109415.9225 300.9259 -161778.0637 -109047.7351 299.2386 4.4852 28.4702 761201.0660 12.5106 12.1920 PRESSURE: 598400 -234.779 45.7578 52.9449 45.7573 -194.55 -38.2202 52.9446 -38.2195 -30.7631 GPRESSURE: 598400 -147.835 85.6307 67.3356 -81.0736 -161.908 -76.8581 40.2058 48.2854 -39.3452 PRESSAVG: 598400 -12.3817 -56.5633 -12.8085 -56.5633 -3.79624 60.1639 -12.8085 60.1639 -24.6421 GPRESSAVG: 598400 -11.6065 -54.7432 -13.2443 -57.9993 -3.57616 62.2307 -12.081 59.1522 -25.6308 TIMING: 598400 CPU: 1885.09, 0.00316505/step Wall: 1885.09, 0.00316505/step, 3.8698 hours remaining, 237.156250 MB of memory in use. ENERGY: 598400 3979.3067 20437.8177 14515.9804 254.0465 -202746.3924 2252.4348 0.0000 0.0000 51892.7488 -109414.0575 298.2283 -161306.8063 -109060.8400 298.9038 -153.3640 -116.3629 761438.9490 -13.6067 -13.6045 PRESSURE: 598600 -63.8003 -191.207 -38.8965 -191.207 -162.366 -15.7378 -38.896 -15.7378 -371.515 GPRESSURE: 598600 -144.916 -172.703 -100.428 -99.0193 47.0791 24.8815 -77.7749 90.938 -425.855 PRESSAVG: 598600 7.49536 -56.7133 15.9523 -56.7134 9.32147 24.0392 15.9523 24.0392 -3.48249 GPRESSAVG: 598600 6.93158 -57.2499 15.2747 -57.0055 9.75532 23.7058 13.5564 26.2766 -3.10292 TIMING: 598600 CPU: 1885.73, 0.00316966/step Wall: 1885.73, 0.00316966/step, 3.87526 hours remaining, 237.167969 MB of memory in use. ENERGY: 598600 4041.8868 20643.8655 14485.5491 264.7063 -203519.8189 2824.8887 0.0000 0.0000 51900.0224 -109358.9002 298.2701 -161258.9225 -109007.2677 299.3667 -199.2270 -174.5638 761839.4407 4.4448 4.5280 PRESSURE: 598800 -164.744 -140.932 -77.6113 -140.932 89.8532 -162.739 -77.6104 -162.737 172.492 GPRESSURE: 598800 4.08665 -114.266 -82.0762 -65.4867 107.373 -121.473 13.5421 -215.475 70.4965 PRESSAVG: 598800 21.5378 5.29527 23.5845 5.29534 -50.2252 4.44996 23.5846 4.44988 17.6717 GPRESSAVG: 598800 22.9996 3.147 22.5562 5.73663 -51.081 3.22814 26.1762 2.83249 17.2708 TIMING: 598800 CPU: 1886.36, 0.0031577/step Wall: 1886.36, 0.0031577/step, 3.86046 hours remaining, 237.238281 MB of memory in use. ENERGY: 598800 4022.2110 20495.9951 14448.4793 241.5189 -203252.8013 2627.0111 0.0000 0.0000 52139.1291 -109278.4568 299.6443 -161417.5859 -108924.8736 299.1451 32.5337 60.6522 761443.2385 -3.6719 -3.6035 PRESSURE: 599000 40.8902 -124.312 -12.4641 -124.311 9.34542 29.7947 -12.4636 29.7964 -111.52 GPRESSURE: 599000 76.0519 -19.0998 -25.7753 -174.2 60.1815 131.396 -69.4159 -186.942 -127.673 PRESSAVG: 599000 52.0821 -32.3821 25.7468 -32.3822 -24.6239 -14.7063 25.7468 -14.7064 -1.83787 GPRESSAVG: 599000 51.0227 -30.7715 25.6761 -32.219 -23.743 -15.4668 24.2269 -16.6818 -1.9782 TIMING: 599000 CPU: 1886.99, 0.00315419/step Wall: 1886.99, 0.00315419/step, 3.856 hours remaining, 237.238281 MB of memory in use. ENERGY: 599000 4048.1064 20384.0545 14506.4634 274.2025 -203538.6708 2903.8887 0.0000 0.0000 52126.1073 -109295.8481 299.5695 -161421.9553 -108918.4969 299.3533 -20.4281 2.8535 761655.0625 8.5401 8.4339 PRESSURE: 599200 126.351 -130.604 116.106 -130.605 206.141 -211.538 116.106 -211.538 57.2597 GPRESSURE: 599200 87.5037 -82.0726 92.365 -95.6212 326.99 -186.294 136.882 -242.997 58.9007 PRESSAVG: 599200 -57.9072 -48.8081 26.9506 -48.8081 47.9014 -13.6441 26.9506 -13.6441 9.10608 GPRESSAVG: 599200 -58.1036 -48.4056 26.6018 -50.4639 47.2058 -12.772 29.5609 -12.2668 9.56725 TIMING: 599200 CPU: 1887.62, 0.00315023/step Wall: 1887.62, 0.00315023/step, 3.85098 hours remaining, 237.238281 MB of memory in use. ENERGY: 599200 3939.4610 20524.3197 14519.1888 245.6371 -203312.5054 3022.0075 0.0000 0.0000 51980.2485 -109081.6429 298.7312 -161061.8913 -108714.8746 299.2017 129.9173 157.7981 762738.3575 -0.2999 -0.4435 PRESSURE: 599400 -390.593 101.261 20.1381 101.259 -12.5827 229.048 20.1385 229.049 -483.821 GPRESSURE: 599400 -324.278 153.832 64.3216 59.5854 -76.9719 215.928 16.478 227.432 -409.763 PRESSAVG: 599400 -28.5316 -93.0601 60.2062 -93.0601 28.0599 43.6353 60.2061 43.6354 0.34852 GPRESSAVG: 599400 -27.5026 -93.5825 60.6898 -91.3985 27.3211 42.1957 57.9737 44.9206 0.555329 TIMING: 599400 CPU: 1888.25, 0.00315301/step Wall: 1888.25, 0.00315301/step, 3.8542 hours remaining, 237.238281 MB of memory in use. ENERGY: 599400 4035.2735 20525.7460 14469.9862 265.1461 -203143.3837 2519.4506 0.0000 0.0000 52094.5867 -109233.1946 299.3883 -161327.7813 -108874.3657 298.8111 -295.6655 -270.3375 765032.6216 -0.0411 0.1246 PRESSURE: 599600 -131.838 -167.37 -141.661 -167.37 -213.038 107.159 -141.661 107.158 -326.695 GPRESSURE: 599600 -103.104 -268.047 -175.273 -43.8333 -201.166 87.2473 -35.4973 -46.0249 -281.828 PRESSAVG: 599600 8.87893 -17.5435 -2.8147 -17.5435 39.9135 33.2776 -2.81472 33.2776 -5.35034 GPRESSAVG: 599600 9.76245 -19.383 -2.61719 -16.5197 39.5546 36.9741 -2.59859 30.6639 -5.71908 TIMING: 599600 CPU: 1888.88, 0.00316719/step Wall: 1888.88, 0.00316719/step, 3.87136 hours remaining, 237.238281 MB of memory in use. ENERGY: 599600 4036.8084 20450.6663 14463.5709 236.1568 -202728.8499 2348.6920 0.0000 0.0000 52091.4809 -109101.4747 299.3705 -161192.9556 -108740.5863 299.0710 -223.8569 -195.3659 763832.5372 14.4807 14.5327 PRESSURE: 599800 -165.43 116.185 105.17 116.185 -778.877 0.419089 105.171 0.420735 -322.545 GPRESSURE: 599800 -210.15 49.6953 104.669 17.4693 -627.662 -35.7592 -66.8484 -59.1875 -329.532 PRESSAVG: 599800 -26.5535 10.1353 -1.00521 10.1353 -38.2313 -53.1178 -1.00519 -53.1178 -5.87403 GPRESSAVG: 599800 -26.5339 10.5688 -1.43857 9.57447 -38.1004 -56.3535 0.439981 -50.7821 -6.12964 TIMING: 599800 CPU: 1889.52, 0.00320331/step Wall: 1889.52, 0.00320331/step, 3.91533 hours remaining, 237.238281 MB of memory in use. ENERGY: 599800 4015.9968 20563.9929 14466.1151 222.5385 -203205.7503 2582.3944 0.0000 0.0000 52240.4988 -109114.2139 300.2269 -161354.7127 -108750.7993 299.4574 -422.2838 -389.1148 762576.8890 -23.5530 -23.5880 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.014 seconds, 237.238 MB of memory in use PRESSURE: 600000 358.363 -139.619 -112.827 -139.619 44.6612 -187.092 -112.826 -187.092 68.5001 GPRESSURE: 600000 372.373 -11.1324 -80.5408 -72.917 123.424 -144.52 -36.452 -333.326 76.1275 PRESSAVG: 600000 6.46346 -29.8482 -6.49976 -29.8482 5.98218 -47.9881 -6.49979 -47.9881 2.4061 GPRESSAVG: 600000 4.93129 -29.0502 -6.06959 -30.6208 6.80514 -47.3834 -5.86431 -49.6827 3.74438 TIMING: 600000 CPU: 1890.17, 0.0032387/step Wall: 1890.17, 0.0032387/step, 3.95841 hours remaining, 237.238281 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: 600000 3991.8314 20558.4725 14446.1745 226.2777 -203139.6729 2683.0758 0.0000 0.0000 51957.5931 -109276.2479 298.6010 -161233.8410 -108914.5698 299.0627 157.1746 190.6417 762551.2244 4.9506 5.1603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -98.846 25.8082 -148.697 25.8075 -416.15 317.052 -148.696 317.053 -0.184372 GPRESSURE: 600200 -44.9373 64.8604 -250.038 26.6227 -356.35 272.671 -169.394 332.385 -33.12 PRESSAVG: 600200 43.601 -12.2201 14.6251 -12.2201 -50.4353 -20.5983 14.6251 -20.5984 19.8547 GPRESSAVG: 600200 43.8926 -13.2656 14.2725 -11.3884 -50.9911 -21.8399 15.315 -19.4664 19.6917 TIMING: 600200 CPU: 1890.81, 0.00319399/step Wall: 1890.81, 0.00319399/step, 3.90358 hours remaining, 237.238281 MB of memory in use. ENERGY: 600200 4044.3612 20537.9689 14414.1912 241.4169 -203077.3195 2570.7170 0.0000 0.0000 52055.6162 -109213.0481 299.1643 -161268.6643 -108848.2559 299.1788 -171.7268 -144.8024 761774.6190 4.3402 4.1977 LDB: ============= START OF LOAD BALANCING ============== 1903.26 LDB: ============== END OF LOAD BALANCING =============== 1903.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1903.26 LDB: ============= START OF LOAD BALANCING ============== 1903.58 LDB: Largest compute 7073 load 0.035950 is 18.4% of average load 0.194933 LDB: Average compute 0.004405 is 2.3% of average load 0.194933 LDB: TIME 1903.58 LOAD: AVG 0.194933 MAX 0.214995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 1903.58 LOAD: AVG 0.194933 MAX 0.214995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: TIME 1903.58 LOAD: AVG 0.194933 MAX 0.214995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.238 MB LDB: ============== END OF LOAD BALANCING =============== 1903.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1903.59 PRESSURE: 600400 543.25 22.4149 9.51064 22.4147 -224.789 83.9211 9.51033 83.9215 115.076 GPRESSURE: 600400 358.823 25.7158 -11.43 3.09276 -45.4821 96.2687 -86.2878 106.853 193.729 PRESSAVG: 600400 27.845 -16.8442 39.5313 -16.8442 -56.8827 -1.51503 39.5313 -1.51497 -5.46754 GPRESSAVG: 600400 27.7803 -16.3505 37.9137 -17.2547 -56.3543 0.354419 38.4043 -3.06896 -6.37703 TIMING: 600400 CPU: 1891.45, 0.00321756/step Wall: 1891.45, 0.00321756/step, 3.93222 hours remaining, 236.582031 MB of memory in use. ENERGY: 600400 4004.4994 20513.3875 14477.3021 245.6166 -203233.2965 2686.0357 0.0000 0.0000 52150.9765 -109155.4788 299.7124 -161306.4553 -108787.8293 299.5305 144.5124 169.0232 761650.9967 -11.5017 -11.6503 PRESSURE: 600600 -198.462 -285.603 -17.1418 -285.602 102.046 -82.7601 -17.1417 -82.7598 656.299 GPRESSURE: 600600 -177.133 -133.747 62.2177 -237.179 135.956 -174.27 89.1154 -245.927 688.305 PRESSAVG: 600600 -21.4021 -58.5282 -11.5564 -58.5281 -11.0293 6.15094 -11.5563 6.15097 -6.21702 GPRESSAVG: 600600 -21.7197 -58.0306 -12.3704 -58.1592 -11.9766 4.88876 -13.2797 7.66675 -5.68543 TIMING: 600600 CPU: 1892.08, 0.00314591/step Wall: 1892.08, 0.00314591/step, 3.84447 hours remaining, 236.785156 MB of memory in use. ENERGY: 600600 3905.0239 20575.2878 14502.8287 247.1799 -203384.5068 2857.4556 0.0000 0.0000 52065.9339 -109230.7970 299.2236 -161296.7309 -108874.9875 299.3723 186.6278 215.7094 762890.8158 -12.8828 -13.1272 PRESSURE: 600800 176.635 -115.686 -16.5652 -115.685 -203.71 -164.116 -16.5656 -164.115 76.0081 GPRESSURE: 600800 175.672 -47.4222 58.3416 -103.254 -124.376 -172.464 -164.883 -214.644 75.7138 PRESSAVG: 600800 31.1028 -32.9247 18.9829 -32.9247 -7.2251 -19.9819 18.9829 -19.9819 -2.80977 GPRESSAVG: 600800 30.361 -34.1911 22.1868 -34.3529 -6.96843 -18.0119 19.0241 -20.9466 -3.04991 TIMING: 600800 CPU: 1892.71, 0.00314119/step Wall: 1892.71, 0.00314119/step, 3.83853 hours remaining, 237.007812 MB of memory in use. ENERGY: 600800 3945.1541 20537.3085 14477.2659 262.1145 -203184.7751 2553.1837 0.0000 0.0000 52121.4205 -109288.3278 299.5425 -161409.7483 -108917.2522 299.3161 16.3112 42.3366 761339.6828 7.0226 6.7809 PRESSURE: 601000 148.501 236.616 4.45965 236.615 201.041 188.082 4.45832 188.082 252.575 GPRESSURE: 601000 200.522 257.487 -48.8278 287.706 266.74 271.148 -100.995 144.336 239.297 PRESSAVG: 601000 30.1261 -29.1986 14.85 -29.1985 -26.8802 -9.75716 14.8501 -9.75707 8.39278 GPRESSAVG: 601000 29.6629 -29.0531 13.5491 -28.4474 -26.4803 -10.5097 15.2761 -9.93404 8.30017 TIMING: 601000 CPU: 1893.34, 0.00312064/step Wall: 1893.34, 0.00312064/step, 3.81325 hours remaining, 237.007812 MB of memory in use. ENERGY: 601000 3955.3401 20548.4362 14387.9351 231.4405 -203576.2094 2850.3129 0.0000 0.0000 52232.1287 -109370.6158 300.1788 -161602.7445 -109008.3550 299.5438 200.7057 235.5195 760473.6435 3.8796 3.8276 PRESSURE: 601200 -336.64 30.9579 -63.5027 30.9588 69.301 -302.055 -63.5031 -302.056 262.329 GPRESSURE: 601200 -250.741 16.5002 -94.0901 81.8693 54.4853 -418.619 59.6878 -170.335 277.907 PRESSAVG: 601200 -5.96565 -73.9741 16.1356 -73.9741 44.6525 1.8744 16.1356 1.87443 6.99289 GPRESSAVG: 601200 -5.39034 -75.286 16.9755 -74.5949 45.0085 0.350114 16.7531 1.07205 6.04977 TIMING: 601200 CPU: 1893.97, 0.00316624/step Wall: 1893.97, 0.00316624/step, 3.86879 hours remaining, 237.207031 MB of memory in use. ENERGY: 601200 4045.3487 20325.7041 14483.7861 241.3558 -203526.4017 2855.4801 0.0000 0.0000 52089.5451 -109485.1818 299.3593 -161574.7269 -109127.2774 299.3571 -1.6701 27.2171 761635.4637 15.2266 15.2226 PRESSURE: 601400 -30.1667 60.5973 53.5355 60.5968 3.42615 -176.756 53.5356 -176.756 -88.8116 GPRESSURE: 601400 32.5024 164.661 -21.6735 -49.6859 63.3533 -97.5726 150.462 -122.196 -107.125 PRESSAVG: 601400 -12.4079 -72.9659 9.37611 -72.9659 -6.82294 -8.73876 9.37608 -8.73877 -12.0656 GPRESSAVG: 601400 -11.7543 -69.7602 9.9155 -73.9662 -6.10327 -6.54299 9.16817 -7.13538 -12.911 TIMING: 601400 CPU: 1894.6, 0.0031495/step Wall: 1894.6, 0.0031495/step, 3.84817 hours remaining, 237.207031 MB of memory in use. ENERGY: 601400 4038.6699 20523.2802 14478.1489 262.8091 -203394.2645 2814.4460 0.0000 0.0000 51738.7734 -109538.1370 297.3434 -161276.9104 -109173.9735 299.0391 -38.5174 -3.7566 760764.0841 -10.4322 -10.2562 PRESSURE: 601600 163.603 -40.5429 375.041 -40.5429 -146.341 421.772 375.042 421.771 -19.3401 GPRESSURE: 601600 96.319 19.5692 332.703 3.2918 -75.6753 295.368 262.446 353.455 59.5312 PRESSAVG: 601600 30.6446 -37.5699 18.6681 -37.5699 -27.2198 42.2965 18.6681 42.2965 -14.87 GPRESSAVG: 601600 31.3353 -37.7823 18.3088 -35.1572 -28.6629 42.1548 19.3025 40.1881 -13.8974 TIMING: 601600 CPU: 1895.23, 0.00314644/step Wall: 1895.23, 0.00314644/step, 3.84425 hours remaining, 237.207031 MB of memory in use. ENERGY: 601600 3997.7149 20336.5554 14489.0692 246.3933 -203172.7615 2387.0369 0.0000 0.0000 52035.7322 -109680.2596 299.0501 -161715.9918 -109305.2574 298.6867 -0.6928 26.7250 760557.2292 -3.8150 -3.7417 PRESSURE: 601800 678.054 -100.458 286.306 -100.458 278.884 -73.0861 286.305 -73.0863 392.413 GPRESSURE: 601800 647.104 -198.435 165.883 -43.4722 346.759 8.84931 336.86 -107.741 455.493 PRESSAVG: 601800 67.2238 -22.3148 21.5611 -22.3148 -63.57 -8.5522 21.5611 -8.55219 8.4651 GPRESSAVG: 601800 65.3966 -23.4844 21.778 -24.1559 -62.6838 -10.0768 20.4667 -7.33822 9.25523 TIMING: 601800 CPU: 1895.86, 0.00317036/step Wall: 1895.86, 0.00317036/step, 3.8733 hours remaining, 237.207031 MB of memory in use. ENERGY: 601800 3956.1290 20555.9094 14449.9710 258.5170 -203261.0434 2673.9371 0.0000 0.0000 51828.5197 -109538.0601 297.8592 -161366.5798 -109177.5717 298.5941 449.7836 483.1185 760615.8600 4.0396 3.9893 PRESSURE: 602000 -21.9616 -255.591 -139.674 -255.592 47.9956 -56.6635 -139.674 -56.6629 134.083 GPRESSURE: 602000 17.354 -161.058 -26.8713 -149.106 26.8692 -6.46337 -99.4714 -39.1381 191.58 PRESSAVG: 602000 37.3156 -48.2922 1.3854 -48.2923 -19.8781 -42.208 1.3854 -42.208 12.584 GPRESSAVG: 602000 38.6747 -46.8642 3.41549 -48.1719 -20.7318 -41.2833 1.44318 -42.6557 12.2932 TIMING: 602000 CPU: 1896.5, 0.00316808/step Wall: 1896.5, 0.00316808/step, 3.87034 hours remaining, 237.207031 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: 602000 3969.8930 20525.0678 14535.7328 232.3033 -203471.0569 2874.8240 0.0000 0.0000 52062.3604 -109270.8757 299.2031 -161333.2361 -108906.7464 299.1268 53.3722 78.6010 761204.7475 10.0072 10.0787 PRESSURE: 602200 -395.285 27.557 -46.1194 27.5563 -270.68 72.6304 -46.1187 72.6303 237.127 GPRESSURE: 602200 -341.389 42.0746 -58.562 -47.9214 -188.622 154.858 34.3071 30.3092 176.305 PRESSAVG: 602200 75.0708 -79.6689 -34.6851 -79.6689 -96.0732 -1.25825 -34.6851 -1.25826 -16.035 GPRESSAVG: 602200 74.9674 -81.4221 -36.3924 -78.3233 -95.0066 -0.323205 -35.4188 -0.0223605 -17.1318 TIMING: 602200 CPU: 1897.13, 0.00315932/step Wall: 1897.13, 0.00315932/step, 3.85946 hours remaining, 237.207031 MB of memory in use. ENERGY: 602200 3970.1780 20541.7652 14504.2879 243.1698 -203073.1358 2439.4431 0.0000 0.0000 52225.6404 -109148.6513 300.1415 -161374.2917 -108785.1375 299.5028 -142.9461 -117.9020 762964.2790 -12.3458 -12.3903 PRESSURE: 602400 -133.276 143.769 -241.139 143.768 -368.757 114.799 -241.14 114.798 -391.262 GPRESSURE: 602400 -145.93 -22.2069 -193.648 138.057 -284.787 147.405 -127.366 204.327 -378.613 PRESSAVG: 602400 22.8039 -93.0915 -5.58397 -93.0916 -38.3493 2.22772 -5.58396 2.22765 -25.6419 GPRESSAVG: 602400 23.6586 -92.6333 -5.31729 -94.4881 -39.8918 0.760902 -3.64847 2.25891 -24.7971 TIMING: 602400 CPU: 1897.76, 0.00315309/step Wall: 1897.76, 0.00315309/step, 3.85167 hours remaining, 237.207031 MB of memory in use. ENERGY: 602400 4011.9456 20502.3631 14497.9752 262.7205 -203104.4975 2419.2920 0.0000 0.0000 52242.3126 -109167.8885 300.2373 -161410.2011 -108801.8006 299.7794 -297.7652 -269.7768 763057.5640 -13.7291 -13.6768 PRESSURE: 602600 -52.532 -131.574 220.168 -131.575 -9.33407 175.202 220.167 175.203 -26.6886 GPRESSURE: 602600 72.7648 -104.197 330.342 21.9845 3.93268 196.001 54.6931 112.421 -61.9087 PRESSAVG: 602600 89.3296 -17.0642 -7.93368 -17.0643 -55.6976 15.9842 -7.93376 15.9841 -7.81893 GPRESSAVG: 602600 89.3398 -16.8469 -7.89991 -16.6145 -54.7194 17.026 -8.06616 16.8654 -8.78078 TIMING: 602600 CPU: 1898.39, 0.00315001/step Wall: 1898.39, 0.00315001/step, 3.84774 hours remaining, 237.207031 MB of memory in use. ENERGY: 602600 4073.5910 20365.6218 14481.9327 255.2686 -202901.9375 2455.1935 0.0000 0.0000 52229.3080 -109041.0219 300.1626 -161270.3299 -108673.0603 300.0202 -29.5182 4.9296 763124.6792 8.6043 8.6132 PRESSURE: 602800 153.118 -24.3527 14.0088 -24.3533 33.96 6.41589 14.0104 6.41592 36.1477 GPRESSURE: 602800 174.362 34.0929 -56.2475 -28.1124 33.1376 46.823 -99.3147 -174.828 83.8035 PRESSAVG: 602800 107.974 32.1314 49.7092 32.1313 -88.1786 30.8498 49.7092 30.8498 2.15333 GPRESSAVG: 602800 107.105 32.1222 50.8752 31.5251 -88.7648 28.3142 48.3326 31.0306 3.4077 TIMING: 602800 CPU: 1899.02, 0.00316641/step Wall: 1899.02, 0.00316641/step, 3.86759 hours remaining, 237.207031 MB of memory in use. ENERGY: 602800 3930.6925 20550.9207 14475.1362 259.0591 -203301.6220 2781.0385 0.0000 0.0000 52205.5499 -109099.2252 300.0260 -161304.7750 -108736.5072 299.8369 74.4087 97.1011 764712.4995 7.3162 7.2495 PRESSURE: 603000 -21.7338 233.02 49.8468 233.019 -68.3794 -46.5407 49.8474 -46.5383 -225.528 GPRESSURE: 603000 -12.0842 265.109 132.005 106.673 3.81746 -22.5133 72.9464 -18.4495 -213.041 PRESSAVG: 603000 84.4953 -38.4803 33.4108 -38.4803 -93.8458 100.322 33.4108 100.322 19.7204 GPRESSAVG: 603000 84.543 -37.8849 32.9895 -36.2881 -93.8313 101.911 35.2069 99.5301 19.4808 TIMING: 603000 CPU: 1899.65, 0.00316407/step Wall: 1899.65, 0.00316407/step, 3.86456 hours remaining, 237.207031 MB of memory in use. ENERGY: 603000 3982.0712 20605.3096 14504.0708 250.8828 -203418.9323 2896.6067 0.0000 0.0000 52097.1527 -109082.8385 299.4031 -161179.9912 -108722.0464 299.9803 -105.2136 -73.7693 763191.2696 3.4566 3.3975 PRESSURE: 603200 -455.041 -11.9789 -111.507 -11.9782 -86.8178 105.185 -111.506 105.184 -217.193 GPRESSURE: 603200 -436.29 18.6109 -125.584 -21.189 3.73273 87.482 -76.7994 34.5142 -236.632 PRESSAVG: 603200 55.2899 -43.2145 -18.8086 -43.2145 -78.9564 -5.94869 -18.8086 -5.94883 -7.7864 GPRESSAVG: 603200 55.2901 -44.1465 -19.4663 -45.0904 -78.2373 -5.60722 -18.6116 -4.96891 -8.37929 TIMING: 603200 CPU: 1900.28, 0.00314845/step Wall: 1900.28, 0.00314845/step, 3.84531 hours remaining, 237.207031 MB of memory in use. ENERGY: 603200 4041.4367 20407.9538 14460.3099 247.9021 -203079.9543 2664.4950 0.0000 0.0000 51939.1303 -109318.7264 298.4949 -161257.8567 -108944.0589 299.8023 -253.0172 -223.0634 763338.6386 -10.4843 -10.4422 PRESSURE: 603400 410.456 -70.4174 448.079 -70.4171 65.0198 -16.8031 448.08 -16.8018 -160.773 GPRESSURE: 603400 349.732 -40.5817 331.644 -42.0373 117.936 33.3536 438.029 -81.7241 -66.4605 PRESSAVG: 603400 -18.2905 -30.0387 23.6777 -30.0387 -1.25985 -25.1654 23.6776 -25.1654 8.10392 GPRESSAVG: 603400 -17.7804 -30.4987 23.6932 -28.3993 -1.91975 -26.3467 22.7412 -27.2156 8.60444 TIMING: 603400 CPU: 1900.91, 0.00314238/step Wall: 1900.91, 0.00314238/step, 3.83772 hours remaining, 237.207031 MB of memory in use. ENERGY: 603400 4119.0222 20599.8728 14477.1754 246.4807 -202853.3367 2656.8287 0.0000 0.0000 51612.5326 -109141.4244 296.6179 -160753.9569 -108791.4659 299.6862 104.9010 133.7359 762340.5933 -3.8155 -3.6986 PRESSURE: 603600 -21.4958 -79.1129 -133.907 -79.1118 -385.848 -73.0004 -133.907 -73.0007 16.7124 GPRESSURE: 603600 -40.6948 -219.861 -147.576 -11.2184 -316.93 -131.078 -170.49 -133.981 36.1414 PRESSAVG: 603600 34.4834 -30.8729 21.4853 -30.8729 -24.7881 23.0854 21.4853 23.0854 29.1924 GPRESSAVG: 603600 34.1454 -32.6929 21.1828 -30.1772 -24.9402 21.0991 21.5873 21.6582 29.7284 TIMING: 603600 CPU: 1901.54, 0.00314955/step Wall: 1901.54, 0.00314955/step, 3.8463 hours remaining, 237.207031 MB of memory in use. ENERGY: 603600 3973.4088 20717.0635 14481.9038 253.5490 -203289.9648 2470.6376 0.0000 0.0000 52023.8744 -109369.5276 298.9819 -161393.4020 -109012.1238 299.5652 -130.2104 -107.1611 763068.7783 12.9626 12.9779 PRESSURE: 603800 -117.619 27.3687 -73.48 27.3687 -225.61 -351.919 -73.4808 -351.919 -334.505 GPRESSURE: 603800 -45.6755 35.5356 -11.1943 76.9087 -229.672 -295.91 28.4821 -216.906 -318.686 PRESSAVG: 603800 -31.0049 -68.8651 -44.6198 -68.8651 -5.02006 -24.1393 -44.6199 -24.1394 4.29229 GPRESSAVG: 603800 -31.0278 -67.8744 -43.608 -68.3402 -4.87951 -21.2983 -46.1563 -22.3092 4.16994 TIMING: 603800 CPU: 1902.18, 0.00317638/step Wall: 1902.18, 0.00317638/step, 3.87889 hours remaining, 237.207031 MB of memory in use. ENERGY: 603800 4041.5590 20530.1599 14476.7252 240.7990 -203231.7970 2473.9082 0.0000 0.0000 52112.6560 -109355.9898 299.4922 -161468.6457 -108982.7394 299.6680 -225.9115 -198.0112 762382.4030 -10.5775 -10.5791 PRESSURE: 604000 -57.9396 26.9663 -136.066 26.9656 -138.982 -8.80609 -136.066 -8.80645 -41.5085 GPRESSURE: 604000 -70.7365 -19.4007 -53.6304 12.285 -39.2447 -61.4174 -29.7726 -65.6024 -54.7279 PRESSAVG: 604000 -4.05358 -57.5707 -64.0965 -57.5707 42.9866 8.35633 -64.0965 8.35628 -3.4191 GPRESSAVG: 604000 -3.08078 -57.7093 -65.7168 -58.5315 43.2961 7.74912 -59.4268 8.96355 -4.87356 TIMING: 604000 CPU: 1902.81, 0.00313874/step Wall: 1902.81, 0.00313874/step, 3.83275 hours remaining, 237.207031 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: 604000 3948.7821 20452.8646 14484.3738 241.5864 -203154.8876 2484.0257 0.0000 0.0000 52105.2043 -109438.0507 299.4493 -161543.2550 -109069.3298 299.6128 -79.4767 -54.9030 761603.9860 11.8380 11.7806 PRESSURE: 604200 -91.2675 -26.9298 139.719 -26.9312 -379.772 205.362 139.719 205.363 -288.256 GPRESSURE: 604200 -234.665 2.55615 100.028 -78.7792 -202.502 214.827 -8.18745 98.224 -229.688 PRESSAVG: 604200 -47.9011 -65.3377 8.96383 -65.3377 18.084 18.8557 8.9638 18.8557 14.1775 GPRESSAVG: 604200 -48.504 -64.383 10.3735 -65.4916 18.3082 17.907 4.61407 17.1581 14.4565 TIMING: 604200 CPU: 1903.44, 0.00317297/step Wall: 1903.44, 0.00317297/step, 3.87437 hours remaining, 237.207031 MB of memory in use. ENERGY: 604200 4041.5216 20451.7467 14433.0243 238.2695 -203248.6302 2353.7851 0.0000 0.0000 52042.3874 -109687.8957 299.0883 -161730.2831 -109320.4148 299.0927 -253.0986 -222.2849 763747.6914 -5.2132 -5.2464 LDB: ============= START OF LOAD BALANCING ============== 1915.89 LDB: ============== END OF LOAD BALANCING =============== 1915.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1915.89 LDB: ============= START OF LOAD BALANCING ============== 1916.21 LDB: Largest compute 7026 load 0.037615 is 19.3% of average load 0.194897 LDB: Average compute 0.004403 is 2.3% of average load 0.194897 LDB: TIME 1916.21 LOAD: AVG 0.194897 MAX 0.213484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.754 MB LDB: TIME 1916.21 LOAD: AVG 0.194897 MAX 0.213484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: TIME 1916.21 LOAD: AVG 0.194897 MAX 0.213484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.754 MB LDB: ============== END OF LOAD BALANCING =============== 1916.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1916.22 PRESSURE: 604400 338.964 255.244 47.4773 255.244 153.829 -123.135 47.4783 -123.135 123.179 GPRESSURE: 604400 297.75 100.18 63.6022 247.462 264.849 -112.159 -20.3054 -116.32 142.992 PRESSAVG: 604400 15.9749 -25.3694 -6.12182 -25.3694 -11.4771 -1.35811 -6.12185 -1.35815 -1.85962 GPRESSAVG: 604400 14.6936 -24.9601 -6.4294 -25.6975 -10.9252 -0.470162 -5.78401 -0.0308221 -1.74573 TIMING: 604400 CPU: 1904.09, 0.0032285/step Wall: 1904.09, 0.0032285/step, 3.94199 hours remaining, 234.753906 MB of memory in use. ENERGY: 604400 4008.8817 20485.3342 14478.7007 258.4949 -203608.8367 2710.8190 0.0000 0.0000 51999.7049 -109666.9013 298.8430 -161666.6062 -109321.2032 298.6857 205.3239 235.1972 759639.3851 0.8794 0.6742 PRESSURE: 604600 279.457 -119.946 16.2764 -119.946 20.1793 -59.4041 16.2766 -59.4049 -318.651 GPRESSURE: 604600 354.674 -96.2336 55.8119 43.379 35.4532 -69.4881 49.9748 -3.21513 -306.788 PRESSAVG: 604600 -26.3472 -39.9445 17.7995 -39.9445 34.1857 -16.031 17.7995 -16.0309 -4.11695 GPRESSAVG: 604600 -26.1446 -39.6889 19.9136 -38.7845 33.5505 -15.986 17.1461 -16.4571 -4.08935 TIMING: 604600 CPU: 1904.71, 0.00312732/step Wall: 1904.71, 0.00312732/step, 3.81828 hours remaining, 234.753906 MB of memory in use. ENERGY: 604600 4003.0998 20319.2280 14554.7286 262.5038 -203568.7961 2742.1108 0.0000 0.0000 52000.4337 -109686.6915 298.8472 -161687.1251 -109328.8104 298.7932 -6.3384 27.7799 762018.5769 1.2405 1.1055 PRESSURE: 604800 -75.1746 -331.496 -306.098 -331.497 -91.8677 57.4216 -306.099 57.4222 -390.728 GPRESSURE: 604800 7.16191 -211.035 -326.301 -251.764 -120.89 -2.53259 -215.94 118.9 -340.235 PRESSAVG: 604800 -26.0713 -40.333 -3.83062 -40.3331 13.1159 -31.1905 -3.8306 -31.1904 -18.9435 GPRESSAVG: 604800 -26.9447 -42.5115 -6.23391 -40.0548 14.5593 -30.9453 -2.03442 -30.469 -18.9076 TIMING: 604800 CPU: 1905.34, 0.00313136/step Wall: 1905.34, 0.00313136/step, 3.82304 hours remaining, 234.753906 MB of memory in use. ENERGY: 604800 4074.9764 20380.9868 14523.1191 251.7690 -203457.9712 2755.7128 0.0000 0.0000 51856.1729 -109615.2342 298.0181 -161471.4071 -109248.1703 298.9016 -185.9234 -151.3210 762151.6224 -10.6330 -10.4310 PRESSURE: 605000 -63.3955 108.751 50.6697 108.751 113.557 3.5853 50.6689 3.58542 -38.9892 GPRESSURE: 605000 14.5389 64.3522 78.7885 191.659 142.81 1.0647 -16.1399 -45.2498 -72.0193 PRESSAVG: 605000 15.3983 -44.2462 21.1852 -44.2462 -24.1367 -8.66864 21.1852 -8.6687 -12.236 GPRESSAVG: 605000 16.5459 -41.4277 21.0117 -44.1926 -24.9387 -8.22002 20.9184 -10.0084 -12.8142 TIMING: 605000 CPU: 1905.97, 0.0031388/step Wall: 1905.97, 0.0031388/step, 3.83195 hours remaining, 234.753906 MB of memory in use. ENERGY: 605000 4006.2005 20545.6350 14480.9472 235.2303 -203555.0059 2823.9550 0.0000 0.0000 51889.1511 -109573.8868 298.2077 -161463.0379 -109221.5235 299.1853 3.7241 28.4430 762117.8689 -6.9915 -7.0690 PRESSURE: 605200 366.381 -53.2467 -34.8239 -53.2463 171.927 -84.0692 -34.8239 -84.0693 -46.0152 GPRESSURE: 605200 332.623 -76.3257 -17.5173 -145.098 200.917 -115.553 -32.6992 -194.028 22.1651 PRESSAVG: 605200 48.5761 -48.5761 29.1059 -48.5761 -21.951 18.2307 29.1058 18.2307 5.45144 GPRESSAVG: 605200 48.6354 -49.3818 30.4643 -50.2555 -23.1478 17.2228 27.9856 18.3509 6.96022 TIMING: 605200 CPU: 1906.59, 0.00313808/step Wall: 1906.59, 0.00313808/step, 3.8309 hours remaining, 234.753906 MB of memory in use. ENERGY: 605200 3947.5715 20561.2287 14454.3855 224.5320 -203647.2770 3094.9855 0.0000 0.0000 51665.4614 -109699.1124 296.9221 -161364.5738 -109355.2361 298.5527 164.0974 185.2351 760718.2804 10.6922 10.8159 PRESSURE: 605400 215.707 55.5827 -177.766 55.5822 180.422 36.7179 -177.767 36.719 128.399 GPRESSURE: 605400 197.383 26.1227 -136.372 104.114 248.888 73.2565 -247.988 -18.4113 180.291 PRESSAVG: 605400 19.933 -12.7618 -21.0424 -12.7617 -13.9207 -14.9861 -21.0423 -14.9861 -0.36477 GPRESSAVG: 605400 20.0923 -12.02 -20.4507 -11.3783 -12.8035 -15.7997 -19.4652 -15.6962 -1.40696 TIMING: 605400 CPU: 1907.22, 0.00315613/step Wall: 1907.22, 0.00315613/step, 3.85275 hours remaining, 234.753906 MB of memory in use. ENERGY: 605400 3870.9629 20268.3206 14492.8159 244.2617 -203702.4884 3105.9015 0.0000 0.0000 51994.6727 -109725.5531 298.8141 -161720.2257 -109377.2417 298.3941 174.8427 208.8541 760714.3569 1.8825 1.9606 PRESSURE: 605600 -186.772 30.9545 27.6438 30.954 19.3752 23.7022 27.644 23.7016 -196.369 GPRESSURE: 605600 -153.322 -49.1053 48.9853 82.6654 86.2455 -8.6653 73.464 -73.4878 -218.266 PRESSAVG: 605600 -50.6133 -3.17696 6.79356 -3.17688 53.8488 27.55 6.79353 27.5499 -13.5485 GPRESSAVG: 605600 -51.6437 -4.06379 6.33517 -3.32886 53.3382 29.5246 6.47721 27.5791 -12.4008 TIMING: 605600 CPU: 1907.85, 0.00314646/step Wall: 1907.85, 0.00314646/step, 3.84078 hours remaining, 234.753906 MB of memory in use. ENERGY: 605600 4027.9970 20339.2586 14477.2719 250.0889 -203521.4819 2556.6215 0.0000 0.0000 52186.5069 -109683.7372 299.9166 -161870.2440 -109317.4469 298.7802 -121.2552 -95.1143 761164.8087 -3.4377 -3.5688 PRESSURE: 605800 262.117 5.33862 306.539 5.3392 -82.7993 228.692 306.539 228.692 286.78 GPRESSURE: 605800 323.186 -66.2854 392.39 33.4862 -71.8609 186.569 222.344 376.037 295.964 PRESSAVG: 605800 35.7902 -53.1791 -42.105 -53.1791 -41.1666 68.597 -42.105 68.5969 19.7553 GPRESSAVG: 605800 36.6808 -53.3693 -41.1144 -53.8541 -41.5202 68.2179 -41.5165 71.6542 18.7277 TIMING: 605800 CPU: 1908.48, 0.00315096/step Wall: 1908.48, 0.00315096/step, 3.8461 hours remaining, 234.753906 MB of memory in use. ENERGY: 605800 3952.4425 20478.7265 14460.4136 252.3928 -203807.8148 3065.2152 0.0000 0.0000 51875.1415 -109723.4827 298.1272 -161598.6242 -109364.6714 298.5297 155.3661 182.4298 761260.7859 4.7930 4.6294 PRESSURE: 606000 -133.924 22.767 4.56357 22.7665 118.915 80.1765 4.56309 80.1768 237.802 GPRESSURE: 606000 -84.6447 82.5692 -18.0937 -8.68375 160.411 -44.4737 -57.9459 174.453 243.388 PRESSAVG: 606000 9.48227 -9.92911 30.4815 -9.92911 -28.2343 58.1538 30.4815 58.1538 12.5387 GPRESSAVG: 606000 9.9326 -5.64058 28.6925 -9.36756 -28.7433 58.072 31.0823 56.8736 12.923 TIMING: 606000 CPU: 1909.11, 0.00313349/step Wall: 1909.11, 0.00313349/step, 3.8246 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: 606000 3968.4024 20444.0922 14496.7875 230.1947 -203509.9401 2849.1870 0.0000 0.0000 51862.9101 -109658.3662 298.0569 -161521.2763 -109295.7192 298.1586 74.2644 106.3848 760955.6412 -2.0711 -1.9626 PRESSURE: 606200 144.633 -192.199 63.5932 -192.2 -9.28485 304.947 63.5926 304.947 -459.84 GPRESSURE: 606200 134.436 -122.626 6.72718 -114.003 -27.8312 273.209 134.884 162.249 -345.109 PRESSAVG: 606200 1.31915 -29.7165 55.8233 -29.7166 1.79247 13.0266 55.8233 13.0265 4.00276 GPRESSAVG: 606200 0.520048 -31.8957 56.1434 -28.1826 2.80415 12.0216 56.9585 11.2646 4.19212 TIMING: 606200 CPU: 1909.74, 0.00314234/step Wall: 1909.74, 0.00314234/step, 3.83523 hours remaining, 234.753906 MB of memory in use. ENERGY: 606200 3978.4154 20350.0476 14460.2694 273.5451 -203237.2860 2528.6385 0.0000 0.0000 52003.3509 -109643.0192 298.8640 -161646.3701 -109279.8997 298.2400 -108.1638 -79.5016 762014.3492 2.3715 2.5054 PRESSURE: 606400 -167.08 -169.528 198.852 -169.527 93.1267 304.634 198.852 304.635 -118.756 GPRESSURE: 606400 -38.4913 -36.4982 206.041 -124.598 28.2313 189.786 65.5161 308.997 -92.7994 PRESSAVG: 606400 -0.0228059 -50.1949 -0.691069 -50.1949 -6.11795 -0.258365 -0.691086 -0.258287 26.9337 GPRESSAVG: 606400 2.32211 -53.5079 -0.378547 -52.5658 -7.45812 -0.222663 -3.32808 0.236488 25.6025 TIMING: 606400 CPU: 1910.37, 0.00315057/step Wall: 1910.37, 0.00315057/step, 3.84509 hours remaining, 234.753906 MB of memory in use. ENERGY: 606400 3993.4371 20563.7679 14413.5823 246.9834 -203234.8040 2675.9495 0.0000 0.0000 51796.4476 -109544.6362 297.6749 -161341.0838 -109192.7632 298.5381 -64.2364 -34.3531 762107.0077 6.9310 6.8222 PRESSURE: 606600 113.118 -76.0497 182.012 -76.0502 63.8465 4.33483 182.012 4.33457 -120.474 GPRESSURE: 606600 111.116 -151.752 249.148 -126.387 60.8994 -56.6178 62.2846 48.4273 -43.6397 PRESSAVG: 606600 8.77691 -55.7891 -10.623 -55.7891 26.7848 43.9977 -10.623 43.9977 10.195 GPRESSAVG: 606600 7.60206 -56.1163 -10.0605 -53.794 26.8305 43.7624 -10.9271 45.3853 10.6828 TIMING: 606600 CPU: 1911, 0.00315949/step Wall: 1911, 0.00315949/step, 3.85581 hours remaining, 234.753906 MB of memory in use. ENERGY: 606600 4014.5505 20576.0846 14476.4452 255.2662 -203747.2902 3099.5540 0.0000 0.0000 52132.1041 -109193.2856 299.6039 -161325.3898 -108832.1167 298.7812 18.8305 42.7917 762529.4265 15.2522 15.0384 PRESSURE: 606800 -158.177 -41.1775 -184.32 -41.1775 -90.7531 39.8663 -184.32 39.8658 90.2927 GPRESSURE: 606800 -76.9203 -57.7422 -135.366 6.3062 -66.2914 -25.458 -97.1091 -59.5114 91.8612 PRESSAVG: 606800 -28.114 -64.9177 38.2378 -64.9176 -0.953411 -25.8289 38.2378 -25.8289 -7.97642 GPRESSAVG: 606800 -28.3113 -61.3646 35.4008 -65.3852 -1.24013 -26.5029 40.8819 -27.863 -7.80343 TIMING: 606800 CPU: 1911.64, 0.00317104/step Wall: 1911.64, 0.00317104/step, 3.86972 hours remaining, 234.753906 MB of memory in use. ENERGY: 606800 4082.4509 20652.0731 14469.7866 244.3918 -203353.1826 2746.4760 0.0000 0.0000 52278.0673 -108879.9371 300.4428 -161158.0043 -108506.3261 299.6002 -52.8792 -17.1168 764349.3234 -12.3480 -12.4516 PRESSURE: 607000 -128.466 -45.1722 99.6327 -45.1727 -162.094 207.159 99.6332 207.159 -570.944 GPRESSURE: 607000 -124.261 5.9714 60.4112 -15.0838 -177.567 172.571 87.2699 244.216 -492.277 PRESSAVG: 607000 9.88747 -38.5264 38.3982 -38.5264 -33.063 46.5122 38.3982 46.5122 -22.4152 GPRESSAVG: 607000 9.79356 -39.0728 39.321 -38.8305 -31.7054 48.3496 38.1516 47.249 -23.4227 TIMING: 607000 CPU: 1912.27, 0.00317307/step Wall: 1912.27, 0.00317307/step, 3.87202 hours remaining, 234.753906 MB of memory in use. ENERGY: 607000 3973.8299 20692.9655 14480.6322 240.7572 -202894.2039 2423.3576 0.0000 0.0000 52136.4864 -108946.1752 299.6291 -161082.6616 -108591.0821 299.5835 -287.1679 -264.7016 764024.1179 -15.1969 -15.1115 PRESSURE: 607200 170.486 -73.6827 -0.427528 -73.6841 -254.796 -202.115 -0.427661 -202.115 75.9926 GPRESSURE: 607200 178.035 -87.3949 -66.7472 -29.2218 -159.025 -208.45 122.898 -234.445 40.4785 PRESSAVG: 607200 19.509 -67.0614 33.6786 -67.0615 -43.5057 26.7588 33.6785 26.7588 -1.54714 GPRESSAVG: 607200 19.8806 -68.4752 34.6297 -65.8194 -43.5361 25.438 33.5739 27.7553 -1.41985 TIMING: 607200 CPU: 1912.9, 0.00316186/step Wall: 1912.9, 0.00316186/step, 3.85818 hours remaining, 234.753906 MB of memory in use. ENERGY: 607200 3970.9277 20508.5413 14508.3646 249.8816 -203400.9204 2772.9452 0.0000 0.0000 52341.5233 -109048.7368 300.8075 -161390.2600 -108670.4428 300.3716 -2.7724 19.8295 763063.6673 -8.5146 -8.3584 PRESSURE: 607400 -62.3544 45.2184 -186.19 45.2189 -279.863 97.1466 -186.19 97.1455 -8.74975 GPRESSURE: 607400 -76.9603 97.0098 -181.731 86.9926 -223.254 150.939 -67.5995 94.9842 31.7979 PRESSAVG: 607400 25.4569 5.49932 48.9986 5.49933 19.4074 -10.608 48.9987 -10.608 -14.5489 GPRESSAVG: 607400 23.8756 7.11348 48.2556 3.58071 19.4373 -11.5092 49.548 -10.0593 -13.0863 TIMING: 607400 CPU: 1913.53, 0.00314005/step Wall: 1913.53, 0.00314005/step, 3.83138 hours remaining, 234.753906 MB of memory in use. ENERGY: 607400 3958.1365 20516.6717 14523.7908 241.8169 -202929.6237 2382.6651 0.0000 0.0000 52090.0524 -109216.4904 299.3622 -161306.5427 -108854.9387 299.6818 -116.9891 -89.4721 761053.3813 10.1051 10.0755 PRESSURE: 607600 190.562 53.1549 33.3022 53.1558 -32.3941 108.933 33.3023 108.934 145.239 GPRESSURE: 607600 298.362 13.1508 3.58961 33.8874 -8.50786 42.7413 -28.8094 68.9986 102.11 PRESSAVG: 607600 -1.44502 34.7632 -17.1316 34.7631 -17.6201 -2.40079 -17.1315 -2.40087 15.9518 GPRESSAVG: 607600 -0.637884 33.8271 -16.5336 36.3756 -17.9421 -1.74347 -19.729 -4.81521 15.2493 TIMING: 607600 CPU: 1914.16, 0.00313154/step Wall: 1914.16, 0.00313154/step, 3.82083 hours remaining, 234.753906 MB of memory in use. ENERGY: 607600 3965.2774 20457.2354 14478.6974 254.8077 -203112.4129 2548.9103 0.0000 0.0000 52154.0394 -109253.4452 299.7300 -161407.4846 -108887.3538 299.3238 101.1356 130.6549 762471.2034 -1.0378 -1.1102 PRESSURE: 607800 -199.454 102.061 -54.3678 102.061 -294.613 85.7232 -54.3675 85.724 -376.784 GPRESSURE: 607800 -240.393 113.37 -70.0876 63.2463 -182.436 36.6888 3.91001 247.228 -374.76 PRESSAVG: 607800 10.1601 7.68706 -0.902446 7.68708 -30.2762 21.5347 -0.902445 21.5347 -4.75571 GPRESSAVG: 607800 10.3193 8.24065 -1.90454 5.06614 -30.6948 23.7879 -0.650155 22.4012 -4.37135 TIMING: 607800 CPU: 1914.79, 0.00316224/step Wall: 1914.79, 0.00316224/step, 3.85811 hours remaining, 234.753906 MB of memory in use. ENERGY: 607800 4109.2325 20535.5718 14456.0136 245.3435 -202689.0230 2382.4497 0.0000 0.0000 51804.3775 -109156.0346 297.7205 -160960.4120 -108798.7201 299.6680 -290.2838 -265.8632 762448.3012 -8.2906 -8.2490 PRESSURE: 608000 3.74894 175.724 12.0949 175.723 -723.802 -9.88095 12.0958 -9.88117 -113.796 GPRESSURE: 608000 17.7106 75.7251 62.1855 120.636 -684.405 -66.9147 -41.3416 -74.6709 -95.1721 PRESSAVG: 608000 18.0238 -9.01302 11.3677 -9.01306 -32.1087 7.86235 11.3677 7.86239 21.2017 GPRESSAVG: 608000 17.1837 -11.349 11.7981 -7.18348 -31.3086 6.22733 10.9234 7.06939 20.8304 TIMING: 608000 CPU: 1915.42, 0.00314342/step Wall: 1915.42, 0.00314342/step, 3.83498 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: 608000 3999.3340 20493.8327 14459.2994 251.7427 -203116.3572 2524.6603 0.0000 0.0000 52115.3483 -109272.1398 299.5076 -161387.4881 -108915.6862 299.7612 -277.9495 -253.9554 763117.9387 2.3723 2.2352 PRESSURE: 608200 115.437 278.328 344.597 278.329 13.0962 -64.7647 344.596 -64.7636 17.6528 GPRESSURE: 608200 182.912 232.304 256.562 241.195 40.4082 22.2485 326.387 -193.978 21.7831 PRESSAVG: 608200 50.9658 22.0849 -37.1814 22.085 -13.909 40.3724 -37.1814 40.3724 -21.2738 GPRESSAVG: 608200 52.1865 25.3539 -37.3613 20.6913 -14.9814 39.9338 -35.7447 39.3713 -20.9407 TIMING: 608200 CPU: 1916.04, 0.0031312/step Wall: 1916.04, 0.0031312/step, 3.81989 hours remaining, 234.753906 MB of memory in use. ENERGY: 608200 3946.3670 20475.9185 14468.0346 247.9420 -203391.6802 2744.7991 0.0000 0.0000 52437.4510 -109071.1680 301.3588 -161508.6190 -108715.1895 299.5727 48.7288 81.7010 760907.6657 5.2610 5.4215 LDB: ============= START OF LOAD BALANCING ============== 1928.49 LDB: ============== END OF LOAD BALANCING =============== 1928.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1928.5 LDB: ============= START OF LOAD BALANCING ============== 1928.81 LDB: Largest compute 7073 load 0.035010 is 18.0% of average load 0.195019 LDB: Average compute 0.004407 is 2.3% of average load 0.195019 LDB: TIME 1928.81 LOAD: AVG 0.195019 MAX 0.212951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.238 MB LDB: TIME 1928.81 LOAD: AVG 0.195019 MAX 0.212951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: TIME 1928.81 LOAD: AVG 0.195019 MAX 0.212951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: ============== END OF LOAD BALANCING =============== 1928.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1928.82 PRESSURE: 608400 -71.8425 -195.568 -149.06 -195.569 -45.7485 -67.6779 -149.06 -67.6774 17.2602 GPRESSURE: 608400 -50.6975 -67.8185 -161.232 -136.776 11.5905 -22.1398 -256.364 -15.742 29.971 PRESSAVG: 608400 9.22575 -19.8289 -14.9171 -19.829 14.5239 9.08149 -14.9171 9.08151 -2.1455 GPRESSAVG: 608400 9.8268 -20.6875 -13.9055 -20.5411 14.982 8.51893 -16.2026 8.66418 -3.08419 TIMING: 608400 CPU: 1916.68, 0.00320035/step Wall: 1916.68, 0.00320035/step, 3.90407 hours remaining, 235.062500 MB of memory in use. ENERGY: 608400 3990.5273 20408.3528 14459.6902 257.8804 -203180.2049 2978.6882 0.0000 0.0000 51858.8376 -109226.2285 298.0335 -161085.0660 -108873.6234 299.5167 -33.4436 -3.0453 761296.3594 7.2014 7.2415 PRESSURE: 608600 119.341 194.215 -86.8279 194.215 80.3835 69.3212 -86.8285 69.3209 -19.3748 GPRESSURE: 608600 153.071 189.141 -94.8943 129.214 90.4236 8.2558 -69.2154 128.023 29.6837 PRESSAVG: 608600 -12.6836 28.4647 -20.4033 28.4647 53.9056 -10.2354 -20.4033 -10.2354 6.41352 GPRESSAVG: 608600 -14.2546 27.3409 -21.0272 29.544 52.5742 -10.2093 -19.7832 -7.70248 8.74492 TIMING: 608600 CPU: 1917.31, 0.00315532/step Wall: 1917.31, 0.00315532/step, 3.84896 hours remaining, 235.062500 MB of memory in use. ENERGY: 608600 4001.3427 20487.8591 14480.7112 238.0502 -202975.5796 2503.2364 0.0000 0.0000 52056.3721 -109208.0079 299.1687 -161264.3800 -108849.1623 299.6026 60.1166 91.0595 762368.0504 15.8785 15.6882 PRESSURE: 608800 -149.601 -310.073 -104.637 -310.072 -122.413 192.307 -104.637 192.307 99.375 GPRESSURE: 608800 -96.8692 -230.754 -39.9767 -151.277 -140.335 218 -88.6176 288.654 149.653 PRESSAVG: 608800 -18.9541 20.932 6.62914 20.9319 2.36472 -73.7313 6.62914 -73.7313 -13.7849 GPRESSAVG: 608800 -17.8569 23.261 7.06939 21.2996 2.58737 -71.9731 6.23312 -71.9212 -15.3067 TIMING: 608800 CPU: 1917.94, 0.00314005/step Wall: 1917.94, 0.00314005/step, 3.83016 hours remaining, 235.062500 MB of memory in use. ENERGY: 608800 3939.7216 20618.6517 14477.4384 245.8437 -203050.3621 2558.0777 0.0000 0.0000 52065.3613 -109145.2678 299.2203 -161210.6291 -108795.2383 299.6306 -57.5464 -29.1835 762470.4950 -10.1247 -10.1921 PRESSURE: 609000 -27.3682 65.575 -69.7847 65.5755 6.3509 198.013 -69.7845 198.013 -24.3369 GPRESSURE: 609000 -35.8834 3.41695 -95.6044 121.629 34.0254 145.822 55.2356 97.3047 24.1229 PRESSAVG: 609000 -18.173 -37.0173 45.5019 -37.0172 12.6089 -5.70452 45.5019 -5.70449 7.9582 GPRESSAVG: 609000 -20.4926 -39.571 43.8146 -34.6441 13.8336 -6.73282 46.0756 -8.09845 9.05323 TIMING: 609000 CPU: 1918.57, 0.00313638/step Wall: 1918.57, 0.00313638/step, 3.82551 hours remaining, 235.062500 MB of memory in use. ENERGY: 609000 4023.3013 20494.5882 14456.6889 249.1057 -203034.8306 2562.8327 0.0000 0.0000 51896.4117 -109351.9021 298.2494 -161248.3138 -108984.5718 299.3354 -15.1181 7.4216 762981.5638 0.7980 0.7981 PRESSURE: 609200 115.608 -212.632 -67.912 -212.632 272.386 115.709 -67.9123 115.709 227.909 GPRESSURE: 609200 167.042 -181.904 -90.0218 -287.077 264.412 124.519 -50.8133 133.655 260.865 PRESSAVG: 609200 26.8528 54.4947 -20.2904 54.4947 -28.0382 -46.8194 -20.2904 -46.8194 -4.49894 GPRESSAVG: 609200 29.726 56.0228 -20.4028 53.527 -28.0651 -47.5791 -20.8861 -46.6986 -7.16572 TIMING: 609200 CPU: 1919.2, 0.00313516/step Wall: 1919.2, 0.00313516/step, 3.82385 hours remaining, 235.062500 MB of memory in use. ENERGY: 609200 3995.6489 20501.0342 14506.2651 239.3003 -203556.8161 2771.1177 0.0000 0.0000 52140.3461 -109403.1038 299.6513 -161543.4499 -109041.0718 299.5188 205.3013 230.7732 762235.0818 -1.8948 -1.8350 PRESSURE: 609400 -256.536 158.936 -151.444 158.936 26.6759 169.96 -151.445 169.96 -76.1596 GPRESSURE: 609400 -244.702 210.484 -133.012 227.248 78.1992 144.347 -90.406 122.571 -57.4797 PRESSAVG: 609400 -19.6685 14.2352 -42.0417 14.2352 -43.8387 -23.4214 -42.0416 -23.4215 4.70972 GPRESSAVG: 609400 -19.9891 14.3651 -39.9481 14.1656 -44.7506 -23.1135 -41.3131 -22.4507 6.12835 TIMING: 609400 CPU: 1919.83, 0.00315472/step Wall: 1919.83, 0.00315472/step, 3.84753 hours remaining, 235.062500 MB of memory in use. ENERGY: 609400 4043.3772 20461.3547 14517.9958 238.9131 -203542.9816 2826.3629 0.0000 0.0000 52085.6386 -109369.3394 299.3369 -161454.9780 -109002.9562 299.1208 -102.0065 -74.6607 763037.6335 -19.5992 -19.5371 PRESSURE: 609600 -146.767 251.444 210.485 251.444 -330.484 -225.224 210.486 -225.225 63.6389 GPRESSURE: 609600 -81.4007 205.097 295.788 263.267 -295.038 -281.975 293.541 -86.2525 46.7244 PRESSAVG: 609600 -10.6994 9.96188 32.5593 9.9619 -2.91643 52.1299 32.5594 52.1299 24.7685 GPRESSAVG: 609600 -11.9635 9.42809 32.3649 7.88989 -1.85309 51.8352 33.1603 51.9073 25.2064 TIMING: 609600 CPU: 1920.46, 0.00313522/step Wall: 1920.46, 0.00313522/step, 3.82358 hours remaining, 235.062500 MB of memory in use. ENERGY: 609600 3982.8907 20472.6719 14578.7742 250.2284 -203520.8199 2755.7183 0.0000 0.0000 52311.1773 -109169.3591 300.6331 -161480.5364 -108807.5687 299.5513 -137.8707 -109.9048 764233.0264 3.7176 3.7966 PRESSURE: 609800 15.3224 -38.8036 3.30182 -38.8042 589.781 229.992 3.30225 229.992 258.881 GPRESSURE: 609800 92.989 -55.7474 23.4639 -84.1547 571.495 241.325 -65.0618 245.787 278.972 PRESSAVG: 609800 -34.8289 -5.47724 -12.8677 -5.47719 45.0096 11.189 -12.8677 11.189 -15.6178 GPRESSAVG: 609800 -33.1565 -6.07093 -13.2444 -4.29173 43.3587 14.3074 -13.5076 11.9296 -15.9969 TIMING: 609800 CPU: 1921.09, 0.00315232/step Wall: 1921.09, 0.00315232/step, 3.84426 hours remaining, 235.062500 MB of memory in use. ENERGY: 609800 3927.4083 20428.3212 14603.4921 267.3746 -203509.7372 2977.8578 0.0000 0.0000 52086.4229 -109218.8603 299.3414 -161305.2832 -108851.4617 299.8915 287.9946 314.4853 762960.4459 -1.8124 -1.9316 PRESSURE: 610000 21.7742 -156.639 -156.809 -156.639 -7.88847 26.1244 -156.81 26.125 206.414 GPRESSURE: 610000 78.5028 -92.1756 -143.689 -175.458 77.1676 18.354 -69.3113 55.9011 146.864 PRESSAVG: 610000 11.4862 47.4206 21.5592 47.4206 15.468 31.6291 21.5592 31.6291 -28.6335 GPRESSAVG: 610000 10.7585 49.3819 21.0913 46.6919 16.5707 31.1952 22.4428 31.0369 -28.9506 TIMING: 610000 CPU: 1921.71, 0.00313279/step Wall: 1921.71, 0.00313279/step, 3.82026 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: 610000 3934.6802 20432.4671 14448.8297 255.0525 -203250.1444 2895.0315 0.0000 0.0000 52225.5493 -109058.5341 300.1409 -161284.0833 -108696.6789 299.7163 73.4333 100.8447 762032.4865 -0.5598 -0.5405 PRESSURE: 610200 94.5227 -38.3188 -27.0558 -38.3197 -337.405 -156.632 -27.0554 -156.632 -94.9211 GPRESSURE: 610200 108.843 46.7963 19.7496 -23.5579 -246.883 -193.182 -195.927 -296.341 -128.185 PRESSAVG: 610200 -33.3219 -14.5116 14.9714 -14.5117 24.4573 -54.426 14.9713 -54.426 28.668 GPRESSAVG: 610200 -32.7347 -18.1003 15.9103 -13.394 23.8109 -56.1188 13.0575 -56.4111 28.5506 TIMING: 610200 CPU: 1922.34, 0.00313125/step Wall: 1922.34, 0.00313125/step, 3.81821 hours remaining, 235.062500 MB of memory in use. ENERGY: 610200 3916.1444 20520.0497 14490.7279 260.0786 -203318.8748 2926.7274 0.0000 0.0000 52085.4262 -109119.7206 299.3357 -161205.1469 -108757.9023 299.5846 -112.6010 -88.7416 764267.4061 6.6012 6.5423 PRESSURE: 610400 -14.6422 -202.088 244.496 -202.087 341.874 -138.732 244.496 -138.732 -18.7471 GPRESSURE: 610400 -12.4401 -170.669 209.796 -119.373 391.12 -158.854 297.443 86.476 -11.9798 PRESSAVG: 610400 -39.3409 -25.2877 -23.2965 -25.2878 62.8141 17.4885 -23.2965 17.4885 -5.59478 GPRESSAVG: 610400 -40.515 -22.1017 -23.9708 -26.8214 63.5085 17.2778 -22.3526 19.1461 -5.52138 TIMING: 610400 CPU: 1922.97, 0.00314172/step Wall: 1922.97, 0.00314172/step, 3.83081 hours remaining, 235.062500 MB of memory in use. ENERGY: 610400 3998.9587 20493.5447 14427.4704 242.3452 -203460.4648 2942.0603 0.0000 0.0000 52265.2911 -109090.7944 300.3693 -161356.0854 -108722.9305 299.3468 102.8281 122.2333 762890.7016 5.9595 5.8240 PRESSURE: 610600 -170.694 18.1689 -200.383 18.1691 -181.889 220.578 -200.384 220.578 -96.5215 GPRESSURE: 610600 -172.085 87.2182 -122.564 3.95774 -90.8174 14.5334 -98.3908 126.732 -109.31 PRESSAVG: 610600 -6.01383 -5.38507 51.2192 -5.38508 35.7838 -10.1878 51.2191 -10.1877 11.5704 GPRESSAVG: 610600 -6.60407 -8.06049 51.0883 -5.42234 36.8192 -9.66474 50.4119 -11.2349 11.4407 TIMING: 610600 CPU: 1923.59, 0.00313472/step Wall: 1923.59, 0.00313472/step, 3.8221 hours remaining, 235.062500 MB of memory in use. ENERGY: 610600 3934.5293 20514.3923 14506.4602 248.1479 -203046.1080 2530.6332 0.0000 0.0000 52128.3870 -109183.5579 299.5826 -161311.9449 -108818.2450 299.3973 -149.7017 -124.0710 762915.2612 13.7801 13.8853 PRESSURE: 610800 -384.362 -28.195 140.728 -28.1945 -65.9643 84.9685 140.728 84.9685 -476.725 GPRESSURE: 610800 -285.99 46.6068 78.5537 21.229 -129.642 12.8311 226.762 155.618 -435.774 PRESSAVG: 610800 -12.299 -5.91341 24.9423 -5.91335 -14.2322 30.3666 24.9423 30.3666 11.4143 GPRESSAVG: 610800 -10.9288 -6.57804 25.2072 -3.98568 -16.7768 29.7471 25.284 31.3173 12.7786 TIMING: 610800 CPU: 1924.22, 0.00313741/step Wall: 1924.22, 0.00313741/step, 3.8252 hours remaining, 235.062500 MB of memory in use. ENERGY: 610800 3945.9047 20476.6617 14465.3996 240.4086 -202835.3781 2237.4731 0.0000 0.0000 52144.9761 -109324.5544 299.6779 -161469.5305 -108955.1565 299.4123 -309.0171 -283.8021 763113.9189 -5.0390 -4.9757 PRESSURE: 611000 -53.2043 -38.9753 1.90926 -38.9743 -144.229 -140.163 1.90942 -140.163 -73.7348 GPRESSURE: 611000 -31.7343 -124.418 -60.5591 -102.822 -127.549 -208.171 -50.2035 -114.572 -46.9777 PRESSAVG: 611000 -42.241 -23.1592 33.5458 -23.1592 33.1932 17.4978 33.5458 17.4978 -1.5585 GPRESSAVG: 611000 -42.0922 -22.9265 32.9881 -24.1108 34.8504 17.4442 34.7885 16.4293 -3.50108 TIMING: 611000 CPU: 1924.85, 0.00315523/step Wall: 1924.85, 0.00315523/step, 3.84675 hours remaining, 235.062500 MB of memory in use. ENERGY: 611000 4006.8980 20642.7622 14530.2860 279.0091 -202809.4123 2305.9562 0.0000 0.0000 52026.5977 -109017.9031 298.9976 -161044.5008 -108663.9012 299.2900 -90.3893 -68.7537 762063.2328 -3.5354 -3.5810 PRESSURE: 611200 160.214 146.847 68.312 146.847 80.024 -402.565 68.3117 -402.566 120.314 GPRESSURE: 611200 214.449 33.374 94.3575 122.774 111.815 -358.643 22.2736 -268.028 104.338 PRESSAVG: 611200 -21.9755 -7.84129 52.7585 -7.84122 51.7823 -76.1692 52.7585 -76.1692 -13.3848 GPRESSAVG: 611200 -21.9789 -6.70425 53.1663 -9.0471 52.9795 -74.8573 51.1541 -76.7113 -14.2069 TIMING: 611200 CPU: 1925.48, 0.00312625/step Wall: 1925.48, 0.00312625/step, 3.81124 hours remaining, 235.062500 MB of memory in use. ENERGY: 611200 3930.2252 20623.1165 14459.3761 261.4677 -202944.3871 2559.6877 0.0000 0.0000 52082.4344 -109028.0795 299.3185 -161110.5138 -108669.1950 300.1437 120.1840 143.5338 763061.6358 5.4740 5.5979 PRESSURE: 611400 -305.059 -18.8559 48.302 -18.8565 112.538 45.9947 48.3016 45.9946 -319.028 GPRESSURE: 611400 -291.298 -18.4174 24.311 -240.58 110.732 89.1624 92.7282 -19.5934 -273.58 PRESSAVG: 611400 -28.2955 1.23726 13.6742 1.23724 22.6125 -11.4707 13.6742 -11.4707 8.81971 GPRESSAVG: 611400 -29.0753 1.64927 15.8166 0.846233 21.6458 -10.7614 14.9709 -11.6634 10.656 TIMING: 611400 CPU: 1926.11, 0.00316385/step Wall: 1926.11, 0.00316385/step, 3.85691 hours remaining, 235.062500 MB of memory in use. ENERGY: 611400 3951.3029 20427.9832 14446.6206 234.3785 -202496.7372 2392.1581 0.0000 0.0000 52278.3121 -108765.9817 300.4442 -161044.2938 -108406.4829 300.0999 -170.5164 -151.3821 762403.1696 1.0456 1.0755 PRESSURE: 611600 -178.723 45.726 -55.9455 45.7262 -310.823 40.0929 -55.9458 40.0922 -158.111 GPRESSURE: 611600 -122.459 113.88 -7.23156 -56.3247 -319.685 1.59362 -68.679 4.17488 -122.821 PRESSAVG: 611600 -37.9393 25.5538 13.7455 25.5538 -21.4973 5.79662 13.7455 5.79664 -4.35347 GPRESSAVG: 611600 -37.767 25.4946 12.1963 26.751 -21.9172 3.24293 12.8788 6.08926 -4.42213 TIMING: 611600 CPU: 1926.74, 0.0031587/step Wall: 1926.74, 0.0031587/step, 3.85046 hours remaining, 235.062500 MB of memory in use. ENERGY: 611600 3964.5184 20559.6481 14535.8354 249.4771 -202689.8414 2468.8986 0.0000 0.0000 52016.0984 -108895.3655 298.9372 -160911.4639 -108533.9901 300.0666 -215.8856 -188.3216 761859.8783 -21.2634 -21.3688 PRESSURE: 611800 27.726 40.6984 -257.011 40.6977 54.3459 -31.4773 -257.011 -31.4783 39.1589 GPRESSURE: 611800 41.0511 65.7861 -171.616 46.7472 89.4808 83.0919 -231.412 -242.648 73.5848 PRESSAVG: 611800 40.3817 10.7726 -16.8791 10.7725 -30.6446 8.66282 -16.8792 8.66281 -12.7151 GPRESSAVG: 611800 40.0154 11.3917 -16.085 9.30052 -30.298 10.8445 -16.6721 9.18596 -12.7097 TIMING: 611800 CPU: 1927.37, 0.00315461/step Wall: 1927.37, 0.00315461/step, 3.8453 hours remaining, 235.062500 MB of memory in use. ENERGY: 611800 4005.2044 20393.7983 14482.6890 245.5079 -202584.6091 2428.3080 0.0000 0.0000 51991.1320 -109037.9695 298.7938 -161029.1015 -108680.3904 299.7726 40.4103 68.0389 761950.3215 -0.9927 -0.9975 PRESSURE: 612000 68.2298 107.595 94.6207 107.595 -573.655 203.771 94.6209 203.771 -511.991 GPRESSURE: 612000 -52.7246 52.9796 35.8989 194.03 -461.461 140.233 145.882 311.254 -428.24 PRESSAVG: 612000 6.72703 10.4217 35.1343 10.4217 13.1972 66.3875 35.1344 66.3875 -10.9198 GPRESSAVG: 612000 8.26658 8.96968 33.5815 13.7066 12.6491 65.1098 35.472 66.5271 -11.223 TIMING: 612000 CPU: 1928, 0.00313436/step Wall: 1928, 0.00313436/step, 3.82043 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: 612000 4021.0699 20365.2638 14489.7831 241.0168 -202338.2839 2162.0137 0.0000 0.0000 52201.5913 -108857.5452 300.0033 -161059.1366 -108498.1419 299.2390 -339.1387 -314.1417 762833.2627 3.0015 3.2309 PRESSURE: 612200 -211.046 -81.8125 22.374 -81.8122 -293.364 -205.834 22.374 -205.834 -380.032 GPRESSURE: 612200 -207.056 12.4276 58.2836 -127.491 -279.57 -141.711 -50.8076 -312.366 -323.2 PRESSAVG: 612200 46.5449 -22.1346 37.728 -22.1346 9.16227 37.5296 37.728 37.5296 6.007 GPRESSAVG: 612200 45.8319 -19.5163 36.7564 -23.319 8.78514 37.7852 38.206 37.9479 6.36785 TIMING: 612200 CPU: 1928.62, 0.00312276/step Wall: 1928.62, 0.00312276/step, 3.80612 hours remaining, 235.062500 MB of memory in use. ENERGY: 612200 3957.3125 20450.6022 14437.8088 267.4586 -202540.1528 2108.7213 0.0000 0.0000 52309.4268 -109008.8226 300.6230 -161318.2494 -108647.7132 299.6149 -294.8141 -269.9420 761382.2014 20.5714 20.3283 LDB: ============= START OF LOAD BALANCING ============== 1941.07 LDB: ============== END OF LOAD BALANCING =============== 1941.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1941.08 LDB: ============= START OF LOAD BALANCING ============== 1941.39 LDB: Largest compute 7074 load 0.037406 is 19.2% of average load 0.194937 LDB: Average compute 0.004412 is 2.3% of average load 0.194937 LDB: TIME 1941.39 LOAD: AVG 0.194937 MAX 0.217553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.098 MB LDB: TIME 1941.39 LOAD: AVG 0.194937 MAX 0.217553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: TIME 1941.39 LOAD: AVG 0.194937 MAX 0.217553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.301 MB LDB: ============== END OF LOAD BALANCING =============== 1941.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1941.4 PRESSURE: 612400 -3.07968 -169.675 77.5998 -169.676 -274.406 23.4779 77.5986 23.4781 -467.986 GPRESSURE: 612400 10.1206 -157.807 14.2378 -167.469 -243.561 -12.3269 22.0439 -49.0638 -431.437 PRESSAVG: 612400 -23.2803 22.436 -1.79176 22.436 36.8818 36.7683 -1.79176 36.7683 -5.2587 GPRESSAVG: 612400 -23.0554 21.2324 -0.456669 21.2792 37.4898 36.6652 -3.48252 35.6268 -5.95978 TIMING: 612400 CPU: 1929.27, 0.00320627/step Wall: 1929.27, 0.00320627/step, 3.90773 hours remaining, 236.070312 MB of memory in use. ENERGY: 612400 4033.5707 20533.3114 14549.4283 268.3501 -202268.8229 2163.9981 0.0000 0.0000 51781.7750 -108938.3893 297.5906 -160720.1643 -108581.3515 299.6490 -248.4906 -221.6259 763280.8794 2.7809 2.8249 PRESSURE: 612600 3.93961 -36.1108 46.7807 -36.1108 -104.835 -127.376 46.782 -127.377 -132.408 GPRESSURE: 612600 -40.2586 -36.1469 77.6724 -81.0073 -21.7122 -40.556 165.35 -176.45 -114.036 PRESSAVG: 612600 36.1793 -48.6416 -19.3006 -48.6417 -24.179 28.5687 -19.3005 28.5687 -2.77463 GPRESSAVG: 612600 35.4739 -49.2175 -20.6353 -47.5734 -24.1937 29.8727 -15.5129 29.9474 -3.19069 TIMING: 612600 CPU: 1929.89, 0.00314081/step Wall: 1929.89, 0.00314081/step, 3.82777 hours remaining, 236.273438 MB of memory in use. ENERGY: 612600 3969.6200 20307.2651 14506.4261 242.0343 -202493.7632 2399.7526 0.0000 0.0000 52138.0544 -108930.6108 299.6381 -161068.6652 -108570.4419 299.6414 -77.7677 -58.6688 762816.9426 3.0752 2.6965 PRESSURE: 612800 -283.767 -189.031 -133.426 -189.031 -193.684 -73.1177 -133.427 -73.1171 160.215 GPRESSURE: 612800 -314.737 -194.245 -230.082 -177.559 -176.668 -115.194 9.96641 53.8432 265.255 PRESSAVG: 612800 3.61879 -59.1463 3.39521 -59.1464 -34.3063 -11.0402 3.3952 -11.0402 5.10559 GPRESSAVG: 612800 4.02305 -60.1629 2.41702 -60.1573 -34.9281 -14.9984 1.73396 -9.00371 5.58211 TIMING: 612800 CPU: 1930.52, 0.00313525/step Wall: 1930.52, 0.00313526/step, 3.82083 hours remaining, 236.273438 MB of memory in use. ENERGY: 612800 3967.9941 20551.3841 14517.1600 245.6855 -202624.1938 2268.1725 0.0000 0.0000 52031.8005 -109041.9972 299.0275 -161073.7977 -108681.2980 299.2628 -105.7454 -75.3836 762946.2147 -8.5273 -8.4410 PRESSURE: 613000 30.7596 -137.259 205.021 -137.259 -163.778 14.7327 205.021 14.7326 58.7588 GPRESSURE: 613000 2.98932 -100.974 163.594 5.25234 -116.307 28.4462 195.004 25.2087 114.639 PRESSAVG: 613000 13.9178 -51.8007 21.7578 -51.8008 7.36457 -8.91822 21.7578 -8.91821 20.1624 GPRESSAVG: 613000 14.3303 -49.5817 24.8372 -51.8376 7.5522 -6.76105 20.9106 -11.0603 19.7481 TIMING: 613000 CPU: 1931.15, 0.00313586/step Wall: 1931.15, 0.00313586/step, 3.82139 hours remaining, 236.273438 MB of memory in use. ENERGY: 613000 3891.6103 20602.2992 14463.7816 254.8287 -203429.7525 2743.2346 0.0000 0.0000 51963.2193 -109510.7787 298.6333 -161473.9980 -109148.2907 298.5475 -24.7532 0.4405 763044.6421 13.8149 13.8769 PRESSURE: 613200 189.323 -150.43 139.29 -150.43 78.0957 115.565 139.29 115.565 95.851 GPRESSURE: 613200 314.866 -103.379 115.571 -119.137 18.3459 82.4634 155.548 88.5991 111.075 PRESSAVG: 613200 15.9478 -10.7766 15.359 -10.7766 -15.4281 37.5325 15.359 37.5325 -26.1734 GPRESSAVG: 613200 15.9842 -12.4866 14.7892 -9.78426 -14.9091 37.3136 16.5542 37.5094 -26.5348 TIMING: 613200 CPU: 1931.77, 0.00312844/step Wall: 1931.77, 0.00312844/step, 3.81218 hours remaining, 236.273438 MB of memory in use. ENERGY: 613200 3939.6282 20471.6333 14494.4040 256.6467 -203284.8450 2654.9094 0.0000 0.0000 51782.2593 -109685.3641 297.5934 -161467.6234 -109324.6636 298.4474 121.0898 148.0954 762452.8779 -8.5512 -8.4866 PRESSURE: 613400 76.0293 -43.3411 -100.247 -43.3404 75.359 113.236 -100.246 113.235 29.1834 GPRESSURE: 613400 110.77 57.2542 0.364787 2.66524 122.609 64.3572 -123.371 60.6141 40.7854 PRESSAVG: 613400 8.79656 -35.2677 -27.5694 -35.2676 -12.4166 -39.6635 -27.5694 -39.6635 -29.1525 GPRESSAVG: 613400 9.38367 -35.8737 -26.9667 -35.8416 -13.9567 -38.753 -27.6058 -39.7299 -28.3919 TIMING: 613400 CPU: 1932.4, 0.00313717/step Wall: 1932.4, 0.00313717/step, 3.82264 hours remaining, 236.273438 MB of memory in use. ENERGY: 613400 4019.4852 20551.1123 14521.9768 244.4139 -203570.0167 2719.4270 0.0000 0.0000 51848.0765 -109665.5251 297.9716 -161513.6015 -109303.2939 298.6011 60.1906 91.3881 760818.6574 -10.9242 -10.9883 PRESSURE: 613600 -46.2292 -202.562 86.0344 -202.562 -250.522 -228.399 86.0346 -228.399 -117.031 GPRESSURE: 613600 -4.04533 -173.746 114.923 -179.004 -230.097 -224.855 16.4385 -111.341 -89.4395 PRESSAVG: 613600 52.1677 -84.6918 -32.7382 -84.6918 -4.14929 22.546 -32.7382 22.546 7.71838 GPRESSAVG: 613600 51.0023 -82.5444 -33.9941 -86.7469 -2.43061 19.9262 -33.6478 23.6662 7.52491 TIMING: 613600 CPU: 1933.03, 0.00313676/step Wall: 1933.03, 0.00313676/step, 3.82196 hours remaining, 236.273438 MB of memory in use. ENERGY: 613600 4066.7402 20443.3189 14505.8773 240.8155 -203084.0869 2371.7053 0.0000 0.0000 51963.8156 -109491.8141 298.6368 -161455.6298 -109128.9617 298.7666 -137.9274 -107.8606 761748.2399 18.5789 18.6989 PRESSURE: 613800 89.9801 -71.8119 -20.2053 -71.8119 -204.574 -100.306 -20.2059 -100.306 -344.675 GPRESSURE: 613800 159.652 -175.584 65.692 -11.8389 -224.977 -153.363 -70.2545 -167.053 -299.446 PRESSAVG: 613800 41.6386 -83.4395 7.47927 -83.4395 -45.2103 -5.85797 7.47923 -5.858 12.4881 GPRESSAVG: 613800 43.2132 -85.1249 8.12268 -83.8943 -45.4713 -5.23648 6.88468 -5.89124 11.5795 TIMING: 613800 CPU: 1933.66, 0.00314356/step Wall: 1933.66, 0.00314356/step, 3.83008 hours remaining, 236.273438 MB of memory in use. ENERGY: 613800 3990.1806 20581.6326 14512.7643 246.4107 -203723.3396 2673.9396 0.0000 0.0000 52102.1900 -109616.2218 299.4320 -161718.4118 -109267.0608 298.8256 -153.0895 -121.5904 761680.0894 2.9721 3.1071 PRESSURE: 614000 12.1197 -34.1988 354.558 -34.1992 -229.315 -61.9896 354.558 -61.9897 551.161 GPRESSURE: 614000 70.4817 -47.8869 406.453 -83.944 -220.104 9.50167 206.448 -119.282 571.76 PRESSAVG: 614000 -9.3802 -51.3785 -5.2706 -51.3785 -7.26675 57.6168 -5.27058 57.6167 17.4094 GPRESSAVG: 614000 -8.93387 -52.5309 -6.39643 -49.2963 -7.32488 57.9401 -4.72816 57.6561 17.3023 TIMING: 614000 CPU: 1934.28, 0.00313804/step Wall: 1934.28, 0.00313804/step, 3.82318 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: 614000 4081.5549 20460.4013 14570.4095 233.6469 -203774.1885 2785.5816 0.0000 0.0000 51758.0279 -109884.5664 297.4541 -161642.5943 -109523.4117 298.8746 111.3219 140.7125 761098.5933 0.2542 0.3478 PRESSURE: 614200 -116.965 33.7035 94.5661 33.703 -58.9611 -19.9412 94.5655 -19.9412 -246.45 GPRESSURE: 614200 15.2029 27.7771 111.63 -33.0468 -152.737 -104.564 161.097 -27.6434 -186.032 PRESSAVG: 614200 67.4405 4.82617 -17.0733 4.82618 -18.8919 78.3707 -17.0733 78.3707 -38.7004 GPRESSAVG: 614200 65.8319 5.66533 -15.8461 4.26021 -17.3769 80.0266 -16.4573 77.4795 -38.8592 TIMING: 614200 CPU: 1934.91, 0.00312991/step Wall: 1934.91, 0.00312991/step, 3.8131 hours remaining, 236.273438 MB of memory in use. ENERGY: 614200 4007.1663 20449.0296 14587.2805 259.3236 -203919.6029 2709.8331 0.0000 0.0000 51998.7048 -109908.2650 298.8373 -161906.9698 -109538.4042 298.8193 -140.7923 -107.8553 759374.5767 3.2827 3.1986 PRESSURE: 614400 184.13 214.941 -283.73 214.942 -455.338 -1.78526 -283.73 -1.78539 -97.5048 GPRESSURE: 614400 138.428 255.497 -263.911 154.203 -361.653 -8.70512 -136.866 5.953 -65.6958 PRESSAVG: 614400 -2.95208 -18.7204 -5.80949 -18.7204 22.9318 27.914 -5.80951 27.9141 -9.05917 GPRESSAVG: 614400 -3.06101 -17.1033 -5.78279 -17.6237 21.3271 27.8693 -6.2998 29.4255 -8.16024 TIMING: 614400 CPU: 1935.54, 0.00312751/step Wall: 1935.54, 0.00312751/step, 3.81 hours remaining, 236.273438 MB of memory in use. ENERGY: 614400 3913.8030 20566.1607 14502.9961 234.5537 -203407.1461 2412.1225 0.0000 0.0000 51698.2666 -110079.2435 297.1106 -161777.5101 -109721.8331 297.4777 -122.9042 -96.3070 762421.0902 3.6402 3.3686 PRESSURE: 614600 30.0532 24.255 210.379 24.2553 -84.8548 232.441 210.378 232.44 -84.3518 GPRESSURE: 614600 12.7364 84.7066 187.996 73.3698 -50.9095 205.643 149.52 169.783 -11.6534 PRESSAVG: 614600 -16.8031 88.4366 53.6501 88.4366 -12.7824 45.1651 53.6501 45.165 6.40623 GPRESSAVG: 614600 -17.397 88.3996 53.326 88.0812 -12.8347 44.368 51.7403 42.0487 7.13486 TIMING: 614600 CPU: 1936.17, 0.00315953/step Wall: 1936.17, 0.00315953/step, 3.84883 hours remaining, 236.273438 MB of memory in use. ENERGY: 614600 3982.9909 20551.6980 14504.4298 235.5249 -203283.9463 2275.2492 0.0000 0.0000 51924.1551 -109809.8984 298.4088 -161734.0535 -109454.2627 298.3342 -46.3845 -16.6089 761262.2960 -7.7264 -7.6989 PRESSURE: 614800 3.5993 67.2442 -35.2341 67.2431 36.901 -71.9357 -35.2343 -71.9351 313.63 GPRESSURE: 614800 -14.0874 72.7036 -35.2166 -39.2148 137.876 -39.0023 65.1356 -151.196 318.505 PRESSAVG: 614800 -25.2179 41.7053 7.80089 41.7053 68.2952 78.2636 7.80088 78.2636 1.88602 GPRESSAVG: 614800 -24.6981 40.7176 7.94464 39.7558 68.7474 77.1209 11.0716 80.9716 0.823176 TIMING: 614800 CPU: 1936.8, 0.00315585/step Wall: 1936.8, 0.00315585/step, 3.84418 hours remaining, 236.273438 MB of memory in use. ENERGY: 614800 4008.6320 20449.6358 14498.9120 233.0604 -203648.1175 2467.5335 0.0000 0.0000 52037.8119 -109952.5319 299.0620 -161990.3438 -109592.4225 298.3488 118.0435 147.4312 759037.7471 14.9878 14.9575 PRESSURE: 615000 90.7558 -103.939 56.3414 -103.94 -159.52 165.535 56.3409 165.534 -171.525 GPRESSURE: 615000 84.1347 -15.4861 47.8729 95.0472 -115.041 151.77 33.1551 137.935 -124.41 PRESSAVG: 615000 -52.116 27.2864 -3.83388 27.2864 55.531 23.218 -3.83388 23.218 9.13272 GPRESSAVG: 615000 -52.5516 28.2261 -3.15328 28.6812 56.3019 23.7419 -5.19991 23.5019 8.7884 TIMING: 615000 CPU: 1937.43, 0.00313137/step Wall: 1937.43, 0.00313137/step, 3.81418 hours remaining, 236.273438 MB of memory in use. ENERGY: 615000 3986.8568 20466.6899 14551.6828 230.4670 -203591.6967 2476.9962 0.0000 0.0000 51971.7489 -109907.2552 298.6824 -161879.0041 -109547.1262 298.4581 -80.0964 -51.7721 760375.0111 4.1826 4.1796 PRESSURE: 615200 -502.108 -143.528 -31.9406 -143.529 205.897 -186.058 -31.9402 -186.058 106.151 GPRESSURE: 615200 -406.994 -96.934 -39.7308 -115.924 181.831 -245.241 1.74233 -178.753 123.551 PRESSAVG: 615200 -40.4179 -26.367 -17.1707 -26.367 36.4752 46.3646 -17.1708 46.3646 29.0434 GPRESSAVG: 615200 -39.324 -26.578 -17.6792 -23.1338 35.4638 46.5455 -16.6725 44.9028 29.8227 TIMING: 615200 CPU: 1938.06, 0.00315466/step Wall: 1938.06, 0.00315466/step, 3.84237 hours remaining, 236.273438 MB of memory in use. ENERGY: 615200 3888.9211 20499.2969 14550.4508 251.8472 -203366.4921 2488.4844 0.0000 0.0000 51631.1829 -110056.3088 296.7251 -161687.4916 -109693.4998 298.0310 -63.3533 -33.8707 761504.0974 8.3669 8.6542 PRESSURE: 615400 -370.472 88.338 -40.4836 88.3383 -149.442 180.393 -40.4828 180.392 -198.451 GPRESSURE: 615400 -343.604 125.344 -94.651 41.9218 -35.6799 157.15 67.529 150.152 -225.732 PRESSAVG: 615400 -80.5388 -0.692348 21.2665 -0.692356 75.2949 -12.9275 21.2665 -12.9275 4.12353 GPRESSAVG: 615400 -81.3172 -0.559739 21.1497 -4.51897 77.0447 -14.3123 20.5325 -9.88403 3.56108 TIMING: 615400 CPU: 1938.68, 0.00313533/step Wall: 1938.68, 0.00313533/step, 3.81866 hours remaining, 236.273438 MB of memory in use. ENERGY: 615400 4036.2294 20379.2583 14483.8344 240.9018 -203321.8583 2411.8532 0.0000 0.0000 51931.8548 -109837.9264 298.4531 -161769.7812 -109470.9261 298.0766 -239.4552 -201.6721 761619.2542 -0.3734 -0.2371 PRESSURE: 615600 -55.836 75.5761 135.115 75.5756 -136.253 99.683 135.116 99.6822 208.701 GPRESSURE: 615600 -33.8089 112.46 152.498 0.645939 8.3346 33.7355 182.691 11.4559 110.101 PRESSAVG: 615600 -18.4305 0.875857 -6.96179 0.87591 27.5165 29.6407 -6.96181 29.6406 -0.406953 GPRESSAVG: 615600 -17.4589 -0.741434 -7.24893 1.67022 26.0563 29.1396 -5.24607 28.4502 -0.0988315 TIMING: 615600 CPU: 1939.31, 0.0031405/step Wall: 1939.31, 0.0031405/step, 3.82478 hours remaining, 236.273438 MB of memory in use. ENERGY: 615600 4029.9394 20636.9646 14493.7670 239.8567 -203528.7594 2517.6026 0.0000 0.0000 51861.4478 -109749.1814 298.0485 -161610.6292 -109393.1760 298.5602 5.5371 28.2089 760530.0686 2.8930 2.8329 PRESSURE: 615800 -215.412 7.85696 -125.908 7.85651 194.848 -89.357 -125.907 -89.3578 232.26 GPRESSURE: 615800 -214.191 18.1922 -137.094 42.648 419.352 -31.0369 -188.827 -64.9352 83.7093 PRESSAVG: 615800 -29.5754 29.1593 46.6689 29.1593 44.7989 -46.783 46.6689 -46.783 -5.09148 GPRESSAVG: 615800 -30.7087 27.8878 46.1597 31.9461 45.6972 -44.5789 44.2738 -47.2991 -4.97202 TIMING: 615800 CPU: 1939.94, 0.00312494/step Wall: 1939.94, 0.00312494/step, 3.80565 hours remaining, 236.273438 MB of memory in use. ENERGY: 615800 4046.8920 20660.9201 14494.8301 255.1717 -203435.6611 2429.3892 0.0000 0.0000 51928.2728 -109620.1852 298.4325 -161548.4580 -109266.3861 298.7762 70.5650 96.2901 760421.3138 3.3773 3.3388 PRESSURE: 616000 -139.358 -80.2205 -8.90428 -80.2207 -187.218 -159.312 -8.904 -159.311 -178.841 GPRESSURE: 616000 -93.7979 -52.7266 51.2114 -136.437 -232.276 -151.533 123.005 -192.949 -110.329 PRESSAVG: 616000 -28.1479 -20.065 48.8197 -20.0649 3.49537 -32.6172 48.8197 -32.6172 -4.10905 GPRESSAVG: 616000 -27.711 -18.1136 48.59 -24.4596 3.51646 -33.1623 50.4099 -32.0822 -4.52919 TIMING: 616000 CPU: 1940.57, 0.00315641/step Wall: 1940.57, 0.00315641/step, 3.84381 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: 616000 3960.2928 20444.8456 14533.1705 240.8131 -203470.6632 2571.1110 0.0000 0.0000 51933.4680 -109786.9622 298.4624 -161720.4302 -109420.5334 298.6689 -168.4722 -145.4677 762381.0632 -9.5872 -9.5746 PRESSURE: 616200 -486.188 -86.3608 97.5679 -86.362 110.259 -246.824 97.5682 -246.826 -120.077 GPRESSURE: 616200 -385.571 -38.2552 157.294 26.9324 133.878 -269.955 5.12094 -140.452 -163.771 PRESSAVG: 616200 -43.136 -13.997 14.9954 -13.9969 5.17935 -42.7431 14.9955 -42.7431 16.0314 GPRESSAVG: 616200 -43.6855 -13.0556 15.6318 -10.9301 5.7068 -41.7849 15.1112 -43.9476 16.25 TIMING: 616200 CPU: 1941.2, 0.00314813/step Wall: 1941.2, 0.00314813/step, 3.83355 hours remaining, 236.273438 MB of memory in use. ENERGY: 616200 4003.2066 20543.6412 14538.2808 243.4247 -203212.5578 2341.0139 0.0000 0.0000 51836.0737 -109706.9169 297.9026 -161542.9906 -109341.0066 298.3997 -165.3353 -138.4881 761585.5774 -7.3084 -7.2429 LDB: ============= START OF LOAD BALANCING ============== 1953.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1953.65 LDB: =============== DONE WITH MIGRATION ================ 1953.65 LDB: ============= START OF LOAD BALANCING ============== 1953.97 LDB: Largest compute 7026 load 0.036601 is 18.8% of average load 0.195007 LDB: Average compute 0.004374 is 2.2% of average load 0.195007 LDB: TIME 1953.98 LOAD: AVG 0.195007 MAX 0.217182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.113 MB LDB: TIME 1953.98 LOAD: AVG 0.195007 MAX 0.217182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: TIME 1953.98 LOAD: AVG 0.195007 MAX 0.217182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: ============== END OF LOAD BALANCING =============== 1953.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1953.98 PRESSURE: 616400 190.005 22.5245 95.0178 22.5238 -40.7921 161.698 95.0175 161.698 87.9011 GPRESSURE: 616400 195.198 67.4528 61.9874 -58.6178 10.1881 250.889 168.925 216.61 106.399 PRESSAVG: 616400 46.4709 -13.0694 -39.1821 -13.0695 -41.4597 -7.53086 -39.1822 -7.53078 13.795 GPRESSAVG: 616400 46.7141 -13.3925 -39.1292 -17.265 -42.1382 -6.34866 -38.5759 -5.14402 13.5246 TIMING: 616400 CPU: 1941.85, 0.00324672/step Wall: 1941.85, 0.00324672/step, 3.95343 hours remaining, 237.289062 MB of memory in use. ENERGY: 616400 3972.6378 20311.6803 14480.7365 240.1023 -203700.8606 2578.8368 0.0000 0.0000 52423.6363 -109693.2306 301.2794 -162116.8669 -109327.8288 298.4899 79.0379 103.9286 761536.2742 6.2688 6.0335 PRESSURE: 616600 377.309 -117.357 -278.212 -117.358 123.834 -67.7537 -278.212 -67.7542 133.874 GPRESSURE: 616600 435.051 -109.189 -294.953 -55.5292 76.5783 -8.9321 -278.738 -152.18 186.462 PRESSAVG: 616600 54.1763 -24.0448 16.1427 -24.0448 -48.454 -23.2082 16.1427 -23.2082 5.38161 GPRESSAVG: 616600 52.6935 -24.8064 16.6455 -19.8479 -48.1775 -25.0092 13.5315 -24.3884 5.75719 TIMING: 616600 CPU: 1942.48, 0.00316637/step Wall: 1942.48, 0.00316637/step, 3.85541 hours remaining, 237.492188 MB of memory in use. ENERGY: 616600 3911.7501 20438.1936 14501.8801 255.5398 -203692.4348 2738.5195 0.0000 0.0000 52065.6571 -109780.8945 299.2220 -161846.5517 -109426.8381 299.0459 211.6725 232.6970 760595.5628 3.7013 3.4244 PRESSURE: 616800 -250.685 44.7368 -428.423 44.7379 235.771 86.9921 -428.423 86.991 -133.242 GPRESSURE: 616800 -214.003 19.4663 -340.686 179.704 222.937 32.6194 -357.761 115.848 -78.1566 PRESSAVG: 616800 25.3903 -0.481009 -12.1607 -0.481028 -16.9528 20.9279 -12.1606 20.9279 -14.3381 GPRESSAVG: 616800 25.7014 0.316246 -14.1141 -0.65167 -16.8271 21.385 -10.8593 20.5498 -13.7599 TIMING: 616800 CPU: 1943.11, 0.00314006/step Wall: 1943.11, 0.00314006/step, 3.8232 hours remaining, 237.492188 MB of memory in use. ENERGY: 616800 4059.3432 20453.2409 14519.7616 251.9927 -203954.4862 2554.6424 0.0000 0.0000 52338.1030 -109777.4024 300.7878 -162115.5054 -109414.3949 298.8773 -49.3856 -23.0741 759617.7717 -1.9669 -1.6285 PRESSURE: 617000 -69.5326 -19.2922 290.795 -19.2933 -100.475 130.181 290.795 130.18 4.54408 GPRESSURE: 617000 -69.4621 18.6505 273.262 -1.59377 -77.4405 176.213 188.301 -34.8001 62.6045 PRESSAVG: 617000 -11.5599 35.8068 34.4383 35.8068 28.9348 -43.6584 34.4383 -43.6583 5.42381 GPRESSAVG: 617000 -11.7287 34.7012 35.2195 34.5524 29.1765 -45.0397 32.7132 -43.6352 5.32672 TIMING: 617000 CPU: 1943.74, 0.00315793/step Wall: 1943.74, 0.00315793/step, 3.84477 hours remaining, 237.492188 MB of memory in use. ENERGY: 617000 4100.5318 20482.2388 14438.0883 260.4193 -203545.8388 2793.6622 0.0000 0.0000 51749.2087 -109721.6896 297.4034 -161470.8983 -109366.4125 299.0378 -55.1545 -28.0994 761507.5312 7.5996 7.5915 PRESSURE: 617200 -38.6754 103.099 26.8418 103.099 97.568 -141.169 26.842 -141.17 -51.7081 GPRESSURE: 617200 18.0203 47.4352 -7.71083 -32.8072 150.63 -101.608 108.22 -192.753 -63.7222 PRESSAVG: 617200 -73.0097 -31.7486 12.2885 -31.7486 29.9421 18.8761 12.2885 18.8761 -2.53744 GPRESSAVG: 617200 -70.8055 -32.5004 12.3985 -30.5224 28.7923 19.7115 15.3225 19.6384 -3.28843 TIMING: 617200 CPU: 1944.37, 0.00316104/step Wall: 1944.37, 0.00316104/step, 3.84839 hours remaining, 237.492188 MB of memory in use. ENERGY: 617200 4059.8039 20347.9362 14440.3002 237.1452 -203355.5941 2446.9125 0.0000 0.0000 51962.3406 -109861.1556 298.6283 -161823.4962 -109509.9606 298.7152 2.3948 34.9760 761153.0975 -15.2017 -15.1005 PRESSURE: 617400 101.155 -159.202 2.89776 -159.203 -110.077 95.1126 2.89777 95.1131 -354.383 GPRESSURE: 617400 127.007 -132.8 0.170167 -40.4045 -30.4131 229.057 -28.3665 33.9854 -404.773 PRESSAVG: 617400 -33.7837 -37.8587 -42.6098 -37.8587 37.8695 -11.2609 -42.6098 -11.2608 -11.1588 GPRESSAVG: 617400 -36.0324 -38.8107 -43.0449 -36.6915 40.1099 -10.456 -43.6613 -11.3566 -11.6686 TIMING: 617400 CPU: 1945, 0.0031616/step Wall: 1945, 0.0031616/step, 3.8489 hours remaining, 237.492188 MB of memory in use. ENERGY: 617400 3998.8643 20490.0368 14426.7886 238.7120 -202821.4551 2273.3073 0.0000 0.0000 51863.9484 -109529.7977 298.0628 -161393.7461 -109167.4413 298.6786 -121.1016 -102.7263 761423.6876 -2.3577 -2.5304 PRESSURE: 617600 119.115 -128.107 145.433 -128.107 -73.3494 57.0099 145.433 57.0106 -66.1048 GPRESSURE: 617600 93.997 -104.339 230.256 -191.96 -37.1116 -0.948953 234.593 58.8771 4.29779 PRESSAVG: 617600 -30.345 -1.6784 22.317 -1.67838 25.4967 11.7288 22.3169 11.7288 20.5772 GPRESSAVG: 617600 -28.7913 0.294469 23.8496 -2.71112 23.1964 13.0867 21.9067 10.081 21.2246 TIMING: 617600 CPU: 1945.64, 0.00317042/step Wall: 1945.64, 0.00317042/step, 3.85945 hours remaining, 237.492188 MB of memory in use. ENERGY: 617600 3951.8561 20473.2948 14461.1243 258.6871 -203237.2221 2547.3686 0.0000 0.0000 52013.2843 -109531.6068 298.9211 -161544.8911 -109169.8073 298.9738 -6.7799 20.3944 763649.3744 5.2430 5.2099 PRESSURE: 617800 -178.595 110.462 37.2813 110.462 -248.052 -113.2 37.2805 -113.199 272.118 GPRESSURE: 617800 -137.106 3.10872 39.4902 24.4053 -226.261 -130.477 -71.9254 -176.535 297.904 PRESSAVG: 617800 2.99512 -36.8843 -35.1138 -36.8844 -16.6234 -10.7067 -35.1139 -10.7066 8.66154 GPRESSAVG: 617800 2.36508 -33.8959 -37.0604 -39.4872 -16.3998 -12.0637 -36.0912 -9.29961 9.32545 TIMING: 617800 CPU: 1946.27, 0.00316143/step Wall: 1946.27, 0.00316143/step, 3.84834 hours remaining, 237.492188 MB of memory in use. ENERGY: 617800 3993.3938 20429.1454 14468.2813 255.6985 -203020.4156 2245.7019 0.0000 0.0000 52155.4034 -109472.7913 299.7378 -161628.1946 -109089.0897 298.8555 -51.5097 -21.8209 762453.6762 -1.6556 -1.5698 PRESSURE: 618000 -149.613 117.513 105.468 117.512 189.324 49.9147 105.468 49.9141 59.5727 GPRESSURE: 618000 -122.353 91.6469 188.85 134.932 295.448 -37.0977 179.403 88.4897 -7.69186 PRESSAVG: 618000 32.724 21.0239 29.5419 21.0238 -15.7637 -12.9833 29.542 -12.9833 -2.42208 GPRESSAVG: 618000 32.955 18.166 31.7757 21.6525 -14.6341 -13.2802 29.1787 -13.3875 -4.44374 TIMING: 618000 CPU: 1946.9, 0.0031672/step Wall: 1946.9, 0.0031672/step, 3.85519 hours remaining, 237.492188 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: 618000 3965.1438 20582.2695 14472.1240 229.8707 -203353.8919 2664.3880 0.0000 0.0000 52036.0642 -109404.0318 299.0520 -161440.0960 -109038.3921 298.7639 33.0945 55.1342 761586.8763 4.8461 4.6257 PRESSURE: 618200 -10.6783 88.8697 133.289 88.8691 29.5246 -180.86 133.289 -180.86 -132.311 GPRESSURE: 618200 79.3846 114.583 8.87342 14.8749 132.482 -203.528 159.747 -101.108 -225.711 PRESSAVG: 618200 -35.5118 -20.2838 13.6764 -20.2839 22.2128 -19.416 13.6764 -19.416 4.25293 GPRESSAVG: 618200 -37.4354 -22.5152 13.7954 -18.2375 21.5338 -20.9491 15.2486 -16.9661 6.50607 TIMING: 618200 CPU: 1947.54, 0.00315502/step Wall: 1947.54, 0.00315502/step, 3.84019 hours remaining, 237.492188 MB of memory in use. ENERGY: 618200 3975.4297 20631.9219 14421.1734 245.1962 -203493.0632 2633.6296 0.0000 0.0000 52318.5381 -109267.1743 300.6754 -161585.7124 -108896.1057 299.8350 -37.8217 -4.6150 761143.9702 -3.0153 -3.1319 PRESSURE: 618400 226.717 37.7895 -22.3351 37.7901 -68.468 -373.479 -22.3346 -373.48 399.256 GPRESSURE: 618400 185.367 5.49843 -51.1288 -46.4515 -3.37683 -440.85 -65.827 -361.384 466.908 PRESSAVG: 618400 -9.54747 -47.9547 -18.1547 -47.9547 37.6691 -73.1776 -18.1547 -73.1776 27.1155 GPRESSAVG: 618400 -8.95644 -46.5072 -18.9842 -48.2176 37.3384 -71.2298 -18.9944 -74.2923 27.0754 TIMING: 618400 CPU: 1948.16, 0.00314555/step Wall: 1948.16, 0.00314555/step, 3.82849 hours remaining, 237.492188 MB of memory in use. ENERGY: 618400 3995.3116 20395.0227 14476.7186 242.8321 -203583.7023 2847.5253 0.0000 0.0000 52224.0414 -109402.2507 300.1323 -161626.2920 -109045.4593 299.8412 185.8352 216.2993 761151.0651 18.4124 18.4858 PRESSURE: 618600 -96.0612 46.4179 105.177 46.418 -287.941 252.776 105.176 252.777 39.2537 GPRESSURE: 618600 -69.1723 43.6059 134.409 -3.817 -207.409 219.571 -21.9681 129.509 15.7848 PRESSAVG: 618600 -21.5796 36.5349 -21.1428 36.5349 -1.21568 -38.8932 -21.1427 -38.8933 -0.10097 GPRESSAVG: 618600 -20.7405 37.6312 -23.0919 34.7091 -1.54313 -39.8086 -19.9518 -37.6596 -0.754747 TIMING: 618600 CPU: 1948.79, 0.00313565/step Wall: 1948.79, 0.00313565/step, 3.81626 hours remaining, 237.492188 MB of memory in use. ENERGY: 618600 4120.7238 20393.2676 14453.2209 243.2079 -203469.0195 2660.4477 0.0000 0.0000 52075.7859 -109522.3657 299.2803 -161598.1516 -109159.3088 299.2122 -114.9162 -86.9320 762526.0196 -7.6321 -7.6795 PRESSURE: 618800 181.67 67.9887 155.933 67.9892 117.81 -230.259 155.932 -230.258 -84.7401 GPRESSURE: 618800 227.538 -3.95479 114.512 122.051 195.548 -183.993 85.5455 -142.384 -124.588 PRESSAVG: 618800 -3.54754 -26.1967 5.28963 -26.1967 -21.3269 15.6202 5.28963 15.6202 4.85237 GPRESSAVG: 618800 -4.50996 -25.427 5.88317 -27.7143 -19.06 14.8292 4.17614 14.5527 3.68387 TIMING: 618800 CPU: 1949.42, 0.00313854/step Wall: 1949.42, 0.00313854/step, 3.8196 hours remaining, 237.492188 MB of memory in use. ENERGY: 618800 4022.3224 20572.2090 14454.8822 248.7014 -203804.4358 2908.1351 0.0000 0.0000 52098.4079 -109499.7778 299.4103 -161598.1856 -109145.6888 299.0679 71.5800 99.4991 762230.1915 -6.6740 -6.6287 PRESSURE: 619000 26.6334 -15.1979 -53.8371 -15.1971 -17.1338 -37.3764 -53.8373 -37.3754 50.353 GPRESSURE: 619000 74.8659 -2.1339 -55.9506 -0.927442 43.1566 -64.6629 -82.8122 -55.4187 24.9195 PRESSAVG: 619000 10.4039 -14.0257 43.0336 -14.0256 -22.7631 -10.3809 43.0336 -10.3808 18.0874 GPRESSAVG: 619000 11.043 -14.8833 44.4516 -11.2114 -23.2014 -9.14484 44.2367 -12.543 17.7885 TIMING: 619000 CPU: 1950.05, 0.00314229/step Wall: 1950.05, 0.00314229/step, 3.82399 hours remaining, 237.492188 MB of memory in use. ENERGY: 619000 4023.1981 20626.1472 14487.5582 261.2938 -203633.7473 2729.4411 0.0000 0.0000 51933.1305 -109572.9784 298.4604 -161506.1089 -109203.0953 299.3115 19.9509 47.6473 760716.5534 1.9094 1.8767 PRESSURE: 619200 -399.797 -361.115 51.8743 -361.115 -425.883 15.5322 51.8758 15.5318 -278.497 GPRESSURE: 619200 -349.906 -309.368 47.8911 -271.979 -342.911 64.9736 -62.7299 -15.1667 -312.352 PRESSAVG: 619200 -5.11513 -27.0058 -87.1674 -27.0058 8.82494 16.9581 -87.1674 16.9582 -10.3279 GPRESSAVG: 619200 -4.74852 -27.4636 -88.5462 -28.7959 7.34037 17.6779 -87.1559 21.4948 -8.78444 TIMING: 619200 CPU: 1950.68, 0.00315138/step Wall: 1950.68, 0.00315138/step, 3.83488 hours remaining, 237.492188 MB of memory in use. ENERGY: 619200 4003.9885 20698.7635 14496.5660 254.9863 -203021.9721 2269.1623 0.0000 0.0000 51989.2648 -109309.2407 298.7830 -161298.5055 -108948.2348 298.8482 -368.0588 -335.0563 762570.5713 -2.2060 -2.0642 PRESSURE: 619400 483.636 37.0799 57.6648 37.0787 76.9619 -169.276 57.6645 -169.277 -91.9853 GPRESSURE: 619400 365.425 40.4878 49.9067 13.9305 193.015 -115.98 24.2131 -237.3 -30.7719 PRESSAVG: 619400 12.5933 -96.1331 -46.9216 -96.1331 1.72968 6.07146 -46.9216 6.07133 -23.4858 GPRESSAVG: 619400 11.2125 -96.5743 -45.8814 -94.9045 2.53003 6.48216 -46.6634 1.94178 -23.4977 TIMING: 619400 CPU: 1951.31, 0.00315248/step Wall: 1951.31, 0.00315248/step, 3.83604 hours remaining, 237.492188 MB of memory in use. ENERGY: 619400 3992.0398 20498.6923 14447.6754 256.9666 -203411.7775 2960.9136 0.0000 0.0000 52010.8964 -109244.5933 298.9073 -161255.4898 -108885.4239 299.5291 156.2040 175.8896 761852.6437 -3.0542 -3.2517 PRESSURE: 619600 62.5528 -82.4616 -28.8186 -82.4609 -64.0911 -121.613 -28.8193 -121.612 356.568 GPRESSURE: 619600 68.9113 -116.621 -32.4666 -5.45414 -6.64031 -89.2753 57.5976 11.3168 362.059 PRESSAVG: 619600 1.25683 -14.2867 -19.3356 -14.2867 10.8226 -24.6318 -19.3355 -24.6317 25.0348 GPRESSAVG: 619600 1.21288 -13.7748 -19.108 -14.5671 11.0247 -25.4195 -21.0105 -23.5768 25.4604 TIMING: 619600 CPU: 1951.93, 0.00313287/step Wall: 1951.93, 0.00313287/step, 3.81201 hours remaining, 237.492188 MB of memory in use. ENERGY: 619600 3980.5341 20603.8197 14441.2403 253.6855 -203533.7018 2732.8556 0.0000 0.0000 51989.0781 -109532.4885 298.7819 -161521.5666 -109174.5975 299.1271 118.3431 141.4433 761543.4814 12.3714 12.5660 PRESSURE: 619800 -174.687 131.224 266.248 131.223 105.229 -29.6543 266.247 -29.6554 361.393 GPRESSURE: 619800 -86.3068 129.284 240.314 67.8166 140.792 -57.1454 264.37 16.1658 346.779 PRESSAVG: 619800 -36.6263 5.00238 16.833 5.00235 -1.05444 -19.4848 16.833 -19.4848 0.327413 GPRESSAVG: 619800 -35.5668 5.4326 15.3697 6.20879 -1.97402 -19.3037 18.5719 -17.7853 0.182178 TIMING: 619800 CPU: 1952.56, 0.00314213/step Wall: 1952.56, 0.00314213/step, 3.8231 hours remaining, 237.492188 MB of memory in use. ENERGY: 619800 3997.8458 20414.9595 14479.2896 255.1802 -203478.3938 2869.3615 0.0000 0.0000 52082.9731 -109378.7842 299.3216 -161461.7573 -109016.4045 299.0956 97.3118 133.7549 762427.0156 -12.4511 -12.4529 PRESSURE: 620000 -151.815 89.6108 -80.4674 89.6108 300.734 103.019 -80.4682 103.02 -337.039 GPRESSURE: 620000 -84.0658 186.288 23.5306 144.819 265.989 167.504 -163.582 29.6918 -274.13 PRESSAVG: 620000 -22.2108 9.80023 54.9868 9.80028 1.24466 -6.72055 54.9868 -6.72043 17.9078 GPRESSAVG: 620000 -22.0778 9.24973 56.0566 8.41095 1.23628 -6.31103 54.5476 -9.4504 18.2567 TIMING: 620000 CPU: 1953.2, 0.00317032/step Wall: 1953.2, 0.00317032/step, 3.85722 hours remaining, 237.492188 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: 620000 4009.9516 20375.2665 14471.6806 229.4602 -203463.8438 2766.5875 0.0000 0.0000 52390.9581 -109219.9393 301.0916 -161610.8974 -108852.7852 299.6338 -62.7068 -30.7358 761298.6282 -1.0195 -0.8616 PRESSURE: 620200 21.2636 159.951 -207.75 159.95 93.2387 -317.986 -207.751 -317.986 170.056 GPRESSURE: 620200 86.2417 296.239 -196.163 138.236 124.085 -268.144 -83.3969 -338.972 158.362 PRESSAVG: 620200 -6.97051 2.74601 -8.9355 2.7459 -2.39479 10.2608 -8.93551 10.2608 -17.5877 GPRESSAVG: 620200 -7.44139 3.93302 -9.91771 1.63578 -2.29334 11.3444 -7.61558 10.866 -17.2192 TIMING: 620200 CPU: 1953.83, 0.00317962/step Wall: 1953.83, 0.00317962/step, 3.86836 hours remaining, 237.492188 MB of memory in use. ENERGY: 620200 4022.7353 20433.2014 14417.7401 242.7636 -203333.3366 2805.1301 0.0000 0.0000 52207.9629 -109203.8032 300.0399 -161411.7661 -108844.1849 299.5259 94.8526 122.8965 761044.2098 -8.9843 -8.9847 LDB: ============= START OF LOAD BALANCING ============== 1966.29 LDB: ============== END OF LOAD BALANCING =============== 1966.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1966.29 LDB: ============= START OF LOAD BALANCING ============== 1966.6 LDB: Largest compute 7065 load 0.035387 is 18.2% of average load 0.194968 LDB: Average compute 0.004401 is 2.3% of average load 0.194968 LDB: TIME 1966.61 LOAD: AVG 0.194968 MAX 0.216257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.07 MB LDB: TIME 1966.61 LOAD: AVG 0.194968 MAX 0.216257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: TIME 1966.61 LOAD: AVG 0.194968 MAX 0.216257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.07 MB LDB: ============== END OF LOAD BALANCING =============== 1966.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1966.61 PRESSURE: 620400 351.056 122.025 38.9867 122.025 -464.999 10.0798 38.9871 10.08 179.781 GPRESSURE: 620400 311.474 134.686 9.45588 128.379 -391.19 46.5311 15.2001 -110.085 249.162 PRESSAVG: 620400 42.5776 30.0355 23.3841 30.0355 -35.1733 -31.8134 23.3841 -31.8134 3.57103 GPRESSAVG: 620400 42.3537 28.8075 22.4228 30.4803 -34.1174 -32.2145 21.7923 -31.5042 2.65115 TIMING: 620400 CPU: 1954.48, 0.00322162/step Wall: 1954.48, 0.00322162/step, 3.91928 hours remaining, 234.589844 MB of memory in use. ENERGY: 620400 3994.2841 20521.7198 14456.0542 255.8352 -202516.9092 2352.4294 0.0000 0.0000 51872.1943 -109064.3922 298.1102 -160936.5865 -108702.1239 299.2749 21.9461 56.4821 762024.6354 3.6585 3.6292 PRESSURE: 620600 -166.36 175.977 -125.665 175.977 -313.35 25.5511 -125.666 25.5511 -566.839 GPRESSURE: 620600 -115.766 173.117 -134.468 279.168 -307.899 -98.6817 -157.209 103.523 -533.447 PRESSAVG: 620600 57.393 -12.6771 -5.04973 -12.6771 -69.3126 -6.46173 -5.04978 -6.46173 -1.74752 GPRESSAVG: 620600 57.3368 -11.7461 -5.62575 -10.9673 -70.2088 -7.35755 -5.0815 -6.12701 -0.447605 TIMING: 620600 CPU: 1955.11, 0.00315089/step Wall: 1955.11, 0.00315089/step, 3.83306 hours remaining, 234.589844 MB of memory in use. ENERGY: 620600 3949.7320 20447.0763 14394.7195 263.2730 -202651.8881 2368.1714 0.0000 0.0000 52066.3478 -109162.5682 299.2260 -161228.9160 -108801.4320 299.2505 -348.8497 -319.0371 762017.7253 -4.5557 -4.4399 PRESSURE: 620800 -72.4933 114.559 -269.557 114.559 -300.007 -123.345 -269.557 -123.345 156.393 GPRESSURE: 620800 38.0715 15.303 -231.447 137.009 -224.727 -110.794 -234.17 -151.161 53.3598 PRESSAVG: 620800 27.2021 -6.56626 -30.3075 -6.56622 1.56143 48.4502 -30.3075 48.4501 22.1789 GPRESSAVG: 620800 26.964 -8.02991 -28.3371 -7.53121 3.45122 46.6217 -30.2623 48.6161 20.544 TIMING: 620800 CPU: 1955.74, 0.00316972/step Wall: 1955.74, 0.00316972/step, 3.85579 hours remaining, 234.589844 MB of memory in use. ENERGY: 620800 4031.5101 20399.6659 14459.5608 246.4387 -203210.5940 2730.6155 0.0000 0.0000 52080.7999 -109262.0031 299.3091 -161342.8030 -108896.1695 299.6421 -72.0361 -44.4318 760987.7156 16.9808 16.9864 PRESSURE: 621000 -401.446 31.1802 11.9435 31.1809 -66.6493 -377.865 11.9435 -377.866 -416.08 GPRESSURE: 621000 -314.245 48.6844 31.3077 85.3648 -109.647 -342.762 -10.3189 -311.906 -393.292 PRESSAVG: 621000 -36.7849 -7.70583 0.514059 -7.7058 6.14552 -3.96683 0.514095 -3.96675 4.05564 GPRESSAVG: 621000 -36.6545 -8.88669 -0.386582 -6.64849 4.5108 -2.13334 1.60254 -3.10928 5.19619 TIMING: 621000 CPU: 1956.38, 0.00319216/step Wall: 1956.38, 0.00319216/step, 3.88291 hours remaining, 234.589844 MB of memory in use. ENERGY: 621000 3996.3153 20385.7260 14473.4312 238.9682 -203085.9557 2522.1314 0.0000 0.0000 52028.3390 -109441.0445 299.0076 -161469.3835 -109078.5657 299.6348 -294.7253 -272.3948 762532.7831 -8.8612 -8.9825 PRESSURE: 621200 75.2032 -2.08929 216.407 -2.08925 191.797 36.8242 216.408 36.8259 -444.351 GPRESSURE: 621200 74.2214 -11.1359 189.503 -27.318 277.139 26.1772 164.765 31.5551 -440.067 PRESSAVG: 621200 44.4391 6.3812 -40.8761 6.38124 -32.442 34.2507 -40.8761 34.2508 -21.9879 GPRESSAVG: 621200 43.4264 7.99025 -40.0606 6.70945 -30.7136 33.2086 -42.9048 35.7048 -22.8797 TIMING: 621200 CPU: 1957.02, 0.003175/step Wall: 1957.02, 0.003175/step, 3.86186 hours remaining, 234.589844 MB of memory in use. ENERGY: 621200 3984.3771 20643.1596 14495.0554 255.6394 -203287.8805 2819.0910 0.0000 0.0000 51808.6150 -109281.9430 297.7448 -161090.5580 -108928.5018 299.2253 -59.1167 -29.5688 762930.8651 -3.3303 -3.3890 PRESSURE: 621400 -436.739 -150.333 -180.304 -150.332 174.643 100.818 -180.304 100.818 148.39 GPRESSURE: 621400 -386.386 -122.529 -116.235 -118.301 292.059 84.3535 -79.1554 3.10287 61.3281 PRESSAVG: 621400 -8.75008 -14.5684 -29.5663 -14.5684 -11.6114 5.19134 -29.5663 5.19139 -20.0337 GPRESSAVG: 621400 -8.09946 -16.3693 -29.6988 -16.8293 -12.2826 7.2514 -30.2258 3.34372 -19.3165 TIMING: 621400 CPU: 1957.65, 0.00315395/step Wall: 1957.65, 0.00315395/step, 3.83608 hours remaining, 234.589844 MB of memory in use. ENERGY: 621400 3951.4845 20347.8671 14463.0799 259.1879 -202823.4940 2706.7959 0.0000 0.0000 51871.4193 -109223.6594 298.1058 -161095.0787 -108869.3224 299.2439 -37.9022 -10.9996 762063.7649 -13.4651 -13.2329 PRESSURE: 621600 153.006 -8.97335 15.8114 -8.97402 -187.362 -123.435 15.8107 -123.433 -340.69 GPRESSURE: 621600 134.105 -28.7145 -78.2739 -49.6962 -104.708 -141.38 24.3258 -150.09 -326.325 PRESSAVG: 621600 17.4427 -26.2233 16.6222 -26.2233 -64.7894 -9.07901 16.6222 -9.07894 24.6373 GPRESSAVG: 621600 17.8493 -26.6343 14.6123 -24.3618 -66.0321 -9.63787 18.4034 -10.8301 25.0254 TIMING: 621600 CPU: 1958.28, 0.00316757/step Wall: 1958.28, 0.00316758/step, 3.85248 hours remaining, 234.589844 MB of memory in use. ENERGY: 621600 3963.7740 20584.2040 14443.4391 250.9947 -202879.4174 2495.0619 0.0000 0.0000 52198.8261 -108943.1176 299.9874 -161141.9437 -108570.2073 299.9623 -125.0152 -98.9760 763755.8535 -7.5698 -7.7191 PRESSURE: 621800 147.459 150.391 -32.3989 150.391 -108.352 91.9425 -32.3988 91.9422 121.827 GPRESSURE: 621800 190.403 151.548 2.54015 110.941 -121.13 -14.6322 -15.4416 -1.24876 184.723 PRESSAVG: 621800 47.7042 -59.3346 20.5688 -59.3345 -92.286 -10.8376 20.5688 -10.8377 15.4348 GPRESSAVG: 621800 47.7271 -59.0784 21.9077 -58.928 -91.4083 -12.7265 20.1226 -8.88659 14.768 TIMING: 621800 CPU: 1958.91, 0.00316236/step Wall: 1958.91, 0.00316236/step, 3.84596 hours remaining, 234.589844 MB of memory in use. ENERGY: 621800 4007.9575 20546.1212 14439.0304 244.9896 -203013.3476 2465.1742 0.0000 0.0000 52285.9645 -109024.1101 300.4882 -161310.0746 -108663.3420 299.8727 53.6446 84.6650 761613.6747 -9.7157 -9.6377 PRESSURE: 622000 198.664 -190.34 -0.562093 -190.34 -111.679 107.178 -0.561866 107.178 -409.802 GPRESSURE: 622000 175.317 -121.432 -73.1158 -206.57 -99.8077 157.878 182.619 35.1868 -314.414 PRESSAVG: 622000 13.5668 20.773 11.5042 20.7731 -12.2475 -31.5468 11.5042 -31.5467 -2.7374 GPRESSAVG: 622000 13.4135 20.9544 11.2982 21.3171 -11.3827 -28.266 12.2662 -31.9 -2.76036 TIMING: 622000 CPU: 1959.54, 0.00315495/step Wall: 1959.54, 0.00315495/step, 3.83676 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: 622000 3990.7635 20490.4620 14561.7824 242.5711 -203094.5267 2761.9371 0.0000 0.0000 51890.1164 -109156.8943 298.2132 -161047.0107 -108797.4263 299.6586 -107.6056 -79.6350 761469.4725 -0.4727 -0.2432 PRESSURE: 622200 34.6576 -54.6921 173.699 -54.6922 -86.2774 323.665 173.699 323.665 15.2005 GPRESSURE: 622200 -65.9656 -92.4106 186.162 -42.5382 23.3447 404.344 177.188 98.3533 88.6672 PRESSAVG: 622200 14.5379 7.10086 -2.60193 7.10093 -26.5516 7.22591 -2.60194 7.22599 11.4518 GPRESSAVG: 622200 14.9044 6.75591 -2.60589 5.99763 -27.2732 4.43571 -4.17751 7.18006 11.8022 TIMING: 622200 CPU: 1960.17, 0.00315929/step Wall: 1960.17, 0.00315929/step, 3.84187 hours remaining, 234.589844 MB of memory in use. ENERGY: 622200 3987.4210 20401.8109 14534.0781 274.1123 -202811.1591 2267.1309 0.0000 0.0000 52267.0311 -109079.5748 300.3793 -161346.6060 -108710.8744 300.0971 -12.1398 15.3488 762585.1674 -0.1873 -0.1889 PRESSURE: 622400 -44.2458 26.31 47.6961 26.3095 266.845 68.696 47.6968 68.6961 -178.001 GPRESSURE: 622400 -37.2447 53.8598 -60.6262 -1.43938 319.877 -50.71 51.6015 137.309 -150.473 PRESSAVG: 622400 55.0584 2.83003 37.3157 2.83007 -31.9095 -18.141 37.3157 -18.141 -14.2727 GPRESSAVG: 622400 55.0116 6.1217 36.2706 1.74096 -31.5446 -18.3248 37.8033 -17.5622 -14.379 TIMING: 622400 CPU: 1960.81, 0.00316025/step Wall: 1960.81, 0.00316025/step, 3.84287 hours remaining, 234.589844 MB of memory in use. ENERGY: 622400 4027.2031 20238.8634 14472.0955 260.6785 -203109.5817 2538.2827 0.0000 0.0000 52168.9673 -109403.4913 299.8158 -161572.4586 -109037.8663 299.6687 14.8663 44.0532 761880.7179 2.9587 3.0293 PRESSURE: 622600 100.057 55.6811 16.7119 55.6808 -160.697 -212.274 16.7125 -212.274 -346.457 GPRESSURE: 622600 127.391 -56.8915 -32.6149 45.2387 -156.261 -164.676 -104.883 -232.941 -301.968 PRESSAVG: 622600 57.9879 -37.1325 31.638 -37.1325 -4.62197 6.35299 31.6381 6.353 8.35885 GPRESSAVG: 622600 58.4673 -38.5024 34.7656 -36.5063 -4.40394 8.45274 29.7672 6.32746 7.37491 TIMING: 622600 CPU: 1961.43, 0.00313732/step Wall: 1961.43, 0.00313732/step, 3.8148 hours remaining, 234.589844 MB of memory in use. ENERGY: 622600 3941.2135 20356.2214 14526.3979 246.8768 -203399.9111 2571.5406 0.0000 0.0000 52222.7630 -109534.8980 300.1249 -161757.6609 -109151.1815 299.0421 -135.6989 -110.2794 761718.2300 20.5749 20.4794 PRESSURE: 622800 -358.577 -39.132 15.3869 -39.131 51.2864 175.75 15.3874 175.751 -249.106 GPRESSURE: 622800 -269.494 22.1809 -21.5904 -79.6774 12.7567 110.376 116.717 163.351 -231.373 PRESSAVG: 622800 42.9674 12.4077 27.7641 12.4077 -71.4073 -3.93792 27.7641 -3.93794 1.33097 GPRESSAVG: 622800 43.9221 12.4617 26.8114 9.94909 -72.8194 -5.28641 29.4013 -3.96857 2.03215 TIMING: 622800 CPU: 1962.07, 0.00316464/step Wall: 1962.07, 0.00316464/step, 3.84785 hours remaining, 234.589844 MB of memory in use. ENERGY: 622800 4058.0499 20491.8318 14545.0550 242.1445 -203023.3219 2530.3749 0.0000 0.0000 51671.0921 -109484.7736 296.9545 -161155.8657 -109134.4112 298.9230 -185.4657 -162.7034 761769.6071 -9.0363 -8.9551 PRESSURE: 623000 4.23673 -77.7817 165.852 -77.7819 -456.571 163.662 165.853 163.661 51.4882 GPRESSURE: 623000 -53.6445 -164.247 201.14 44.3262 -344.731 111.221 -8.80223 86.6733 75.3933 PRESSAVG: 623000 -0.202099 -1.71038 -23.2461 -1.71038 -9.48985 24.3409 -23.2462 24.3409 -10.544 GPRESSAVG: 623000 -0.941427 -2.00731 -23.7901 1.33702 -8.61532 23.008 -23.3338 23.9835 -11.0492 TIMING: 623000 CPU: 1962.7, 0.00316385/step Wall: 1962.7, 0.00316385/step, 3.84671 hours remaining, 234.589844 MB of memory in use. ENERGY: 623000 4008.2046 20418.8609 14483.2556 244.0147 -203016.6083 2641.5933 0.0000 0.0000 51776.1076 -109444.5716 297.5580 -161220.6792 -109078.8280 298.9885 -133.6152 -107.6606 760680.4916 -6.7453 -6.8687 PRESSURE: 623200 -208.996 136.349 187.981 136.35 -330.203 -65.8598 187.98 -65.8603 -147.923 GPRESSURE: 623200 -84.945 214.981 161.396 62.44 -356.174 -140.304 137.671 -85.7178 -161.669 PRESSAVG: 623200 -4.6877 10.3098 -19.4501 10.3099 31.07 27.5052 -19.4501 27.5052 -12.0979 GPRESSAVG: 623200 -3.39668 9.77002 -18.4156 10.7834 29.7338 27.3314 -21.7495 27.8033 -12.0383 TIMING: 623200 CPU: 1963.33, 0.00317471/step Wall: 1963.33, 0.00317471/step, 3.85975 hours remaining, 234.589844 MB of memory in use. ENERGY: 623200 3981.3268 20481.9942 14499.6901 268.5612 -202975.4593 2412.5156 0.0000 0.0000 52021.6928 -109309.6786 298.9694 -161331.3714 -108962.1808 299.7685 -229.0407 -200.9295 760796.9227 4.7615 4.7663 PRESSURE: 623400 -236.933 16.975 12.3813 16.975 -240.873 -286.106 12.3817 -286.105 -384.387 GPRESSURE: 623400 -281.205 -15.2362 59.7589 -87.1096 -64.3134 -233.553 -82.1146 -76.0287 -416.142 PRESSAVG: 623400 13.1069 -23.7248 11.8441 -23.7248 24.2525 34.5825 11.8441 34.5825 -16.1839 GPRESSAVG: 623400 11.7321 -24.8814 10.3422 -24.0763 24.7758 35.3085 12.4686 35.423 -15.2953 TIMING: 623400 CPU: 1963.97, 0.00316957/step Wall: 1963.97, 0.00316957/step, 3.85332 hours remaining, 234.589844 MB of memory in use. ENERGY: 623400 4037.9538 20343.6017 14508.7011 236.3056 -203146.3769 2410.9484 0.0000 0.0000 52376.9303 -109231.9359 301.0109 -161608.8663 -108869.8239 299.3975 -287.3978 -253.8866 761399.7792 7.0585 7.0709 PRESSURE: 623600 -308.965 -324.751 -25.2085 -324.751 16.3237 110.871 -25.2081 110.871 -379.005 GPRESSURE: 623600 -216.741 -315.17 -28.5052 -259.034 -83.4434 133.307 -55.4004 108.312 -294.101 PRESSAVG: 623600 1.98651 -16.3981 28.8268 -16.3982 -27.7476 -27.4306 28.8268 -27.4306 17.9632 GPRESSAVG: 623600 0.89431 -14.5452 27.6695 -18.556 -26.7668 -28.2066 30.9191 -27.6146 18.072 TIMING: 623600 CPU: 1964.6, 0.00316308/step Wall: 1964.6, 0.00316308/step, 3.84525 hours remaining, 234.589844 MB of memory in use. ENERGY: 623600 3990.9672 20419.5511 14565.4665 251.2152 -202936.1663 2323.0241 0.0000 0.0000 52160.4033 -109225.5390 299.7666 -161385.9423 -108867.2959 299.9216 -223.8822 -198.0952 761738.3651 -2.5993 -2.6002 PRESSURE: 623800 -217.028 -26.0854 144.16 -26.0852 16.8824 11.73 144.161 11.7305 -229.294 GPRESSURE: 623800 -220.758 46.3471 136.588 7.45188 28.6919 -35.7693 91.4063 114.164 -156.851 PRESSAVG: 623800 -70.4537 -45.4552 -2.01461 -45.4552 32.8669 6.62103 -2.01458 6.62107 -7.65006 GPRESSAVG: 623800 -68.5997 -47.5716 0.344589 -43.6267 31.4821 8.79949 -2.33544 5.79714 -8.71066 TIMING: 623800 CPU: 1965.24, 0.00316823/step Wall: 1965.24, 0.00316823/step, 3.85133 hours remaining, 234.589844 MB of memory in use. ENERGY: 623800 4002.2869 20564.5958 14493.6879 245.5008 -203072.7579 2567.6734 0.0000 0.0000 51991.1658 -109207.8473 298.7939 -161199.0131 -108856.5254 299.3473 -143.1464 -116.3055 762489.8312 -15.0789 -15.2761 PRESSURE: 624000 -217.806 144.43 118.573 144.43 -102.522 38.0996 118.573 38.0992 -336.775 GPRESSURE: 624000 -149.741 120.63 37.5193 3.00668 -197.241 -22.1645 38.8869 84.2362 -253.895 PRESSAVG: 624000 -13.2 10.0072 59.0462 10.0073 -1.56526 26.199 59.0463 26.199 4.77402 GPRESSAVG: 624000 -14.023 11.0133 58.603 11.2276 -1.66031 25.9075 58.2214 26.5013 5.14523 TIMING: 624000 CPU: 1965.86, 0.00314334/step Wall: 1965.86, 0.00314334/step, 3.8209 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: 624000 3927.6099 20479.6202 14544.2423 270.0190 -203428.9186 2414.2733 0.0000 0.0000 52492.4940 -109300.6600 301.6751 -161793.1540 -108931.4266 299.7252 -219.0344 -200.2924 760837.2318 -3.3304 -3.5127 PRESSURE: 624200 273.779 -24.61 120.316 -24.6103 56.5696 167.675 120.317 167.675 231.502 GPRESSURE: 624200 343.695 -51.4953 33.2641 25.6507 50.1406 228.616 194.838 65.8963 254.737 PRESSAVG: 624200 2.97095 41.7523 0.842097 41.7523 57.0559 13.9441 0.842145 13.944 -19.8396 GPRESSAVG: 624200 4.36119 41.8447 -0.866723 40.48 56.7456 12.5269 0.182935 12.5744 -20.2979 TIMING: 624200 CPU: 1966.49, 0.00314668/step Wall: 1966.49, 0.00314668/step, 3.82478 hours remaining, 234.589844 MB of memory in use. ENERGY: 624200 3957.0550 20442.7751 14543.1803 251.3834 -203180.4299 2610.7600 0.0000 0.0000 51857.5457 -109517.7304 298.0260 -161375.2761 -109157.1370 299.4455 187.2834 216.1908 759450.0669 13.3958 13.6030 LDB: ============= START OF LOAD BALANCING ============== 1978.95 LDB: ============== END OF LOAD BALANCING =============== 1978.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1978.95 LDB: ============= START OF LOAD BALANCING ============== 1979.27 LDB: Largest compute 7073 load 0.037411 is 19.2% of average load 0.195152 LDB: Average compute 0.004382 is 2.2% of average load 0.195152 LDB: TIME 1979.27 LOAD: AVG 0.195152 MAX 0.213525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.613 MB LDB: TIME 1979.27 LOAD: AVG 0.195152 MAX 0.213525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: TIME 1979.27 LOAD: AVG 0.195152 MAX 0.213525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.727 MB LDB: ============== END OF LOAD BALANCING =============== 1979.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1979.28 PRESSURE: 624400 329.362 -53.0738 -263.577 -53.0729 51.2955 4.86617 -263.578 4.86677 60.8267 GPRESSURE: 624400 377.623 -11.6876 -165.023 -35.0279 123.623 60.0204 -165.413 31.9805 35.2851 PRESSAVG: 624400 22.9842 -31.6823 24.6319 -31.6823 -3.3101 40.451 24.6319 40.451 -1.66498 GPRESSAVG: 624400 23.3979 -32.4676 25.6624 -32.1951 -3.56058 40.345 27.5504 41.5455 -2.02978 TIMING: 624400 CPU: 1967.14, 0.00324756/step Wall: 1967.14, 0.00324756/step, 3.94722 hours remaining, 235.871094 MB of memory in use. ENERGY: 624400 3933.8201 20432.3199 14473.5251 260.8194 -203546.3189 2831.9560 0.0000 0.0000 52044.1539 -109569.7246 299.0985 -161613.8785 -109210.0949 299.0692 147.1612 178.8436 760458.2107 6.0030 5.9358 PRESSURE: 624600 -261.38 -219.495 179.565 -219.496 326.907 -118.369 179.565 -118.37 -269.593 GPRESSURE: 624600 -174.516 -173.909 127.971 -103.212 188.45 -211.624 160.447 -184.18 -123.283 PRESSAVG: 624600 -12.9716 42.9221 14.8078 42.9222 22.7699 -4.6052 14.8078 -4.6052 4.54124 GPRESSAVG: 624600 -14.3638 43.0908 14.4333 45.0059 23.272 -2.76309 13.2296 -5.91731 5.9468 TIMING: 624600 CPU: 1967.78, 0.00319075/step Wall: 1967.78, 0.00319075/step, 3.878 hours remaining, 236.332031 MB of memory in use. ENERGY: 624600 4009.5453 20538.3316 14503.4397 255.7406 -203493.1744 2650.8534 0.0000 0.0000 52018.1235 -109517.1403 298.9489 -161535.2638 -109153.2104 298.9432 -68.0221 -36.4497 761452.3563 4.7798 4.9516 PRESSURE: 624800 58.8763 -105.641 56.66 -105.641 -204.732 -149.469 56.6602 -149.468 197.684 GPRESSURE: 624800 68.855 -145.527 20.9905 -23.945 -132.758 -140.386 111.52 -21.7841 187.874 PRESSAVG: 624800 -54.6508 -62.1811 16.2473 -62.1811 10.6837 -53.0388 16.2473 -53.0387 -12.5192 GPRESSAVG: 624800 -55.1622 -61.4512 15.9522 -63.7127 11.6073 -54.0795 15.3578 -51.0365 -13.3589 TIMING: 624800 CPU: 1968.42, 0.00317278/step Wall: 1968.42, 0.00317278/step, 3.85598 hours remaining, 236.332031 MB of memory in use. ENERGY: 624800 3918.0798 20475.5941 14526.3679 238.8552 -203292.3077 2652.2498 0.0000 0.0000 51978.0895 -109503.0714 298.7188 -161481.1609 -109138.8790 298.4937 17.2759 41.3234 763073.3631 -18.8288 -18.9713 PRESSURE: 625000 333.523 59.8532 -34.9398 59.852 145.684 -150.407 -34.9389 -150.407 -69.9113 GPRESSURE: 625000 352.391 95.7239 -38.1487 58.129 195.577 -174.36 -7.13696 -202.082 -38.747 PRESSAVG: 625000 -17.7373 -0.56718 -16.2148 -0.567196 27.2942 19.8696 -16.2147 19.8696 9.50129 GPRESSAVG: 625000 -18.6581 -1.86266 -15.4002 0.559535 27.6959 21.2389 -14.7122 17.6562 10.4258 TIMING: 625000 CPU: 1969.05, 0.00315777/step Wall: 1969.05, 0.00315777/step, 3.83756 hours remaining, 236.332031 MB of memory in use. ENERGY: 625000 4009.9158 20539.6837 14434.7077 251.0105 -203316.5622 2629.1094 0.0000 0.0000 52067.6302 -109384.5049 299.2334 -161452.1351 -109025.9545 298.6530 136.4321 169.7401 760815.9180 6.3527 6.4879 PRESSURE: 625200 203.372 -89.3613 4.24265 -89.3622 103.582 -61.5334 4.24274 -61.5333 279.339 GPRESSURE: 625200 333.002 -158.293 89.6378 -42.778 81.7274 -57.2121 -55.634 -83.9562 238.537 PRESSAVG: 625200 -1.21037 -52.9613 -20.0231 -52.9613 -2.68759 50.7571 -20.0231 50.7571 23.8734 GPRESSAVG: 625200 0.638887 -52.1388 -19.5354 -54.7209 -4.16539 50.8994 -22.21 51.7356 23.492 TIMING: 625200 CPU: 1969.68, 0.00316326/step Wall: 1969.68, 0.00316326/step, 3.84407 hours remaining, 236.332031 MB of memory in use. ENERGY: 625200 3981.8812 20376.7566 14515.7859 257.8658 -203197.0807 2581.6486 0.0000 0.0000 51977.6901 -109505.4526 298.7165 -161483.1427 -109140.4283 298.8368 195.4309 217.7554 759935.0697 6.6585 6.6552 PRESSURE: 625400 -286.036 -51.3639 161.001 -51.3636 69.526 -3.78977 161.002 -3.79003 63.4804 GPRESSURE: 625400 -215.695 23.6434 147.163 -65.2472 45.7021 -45.7519 48.0308 -14.789 96.0649 PRESSAVG: 625400 -12.3214 -24.6605 -14.045 -24.6604 31.0405 26.6746 -14.045 26.6746 1.63721 GPRESSAVG: 625400 -12.4704 -24.274 -14.0623 -24.2856 31.6695 24.5048 -14.7294 27.8413 0.480067 TIMING: 625400 CPU: 1970.31, 0.00313949/step Wall: 1970.31, 0.00313949/step, 3.81501 hours remaining, 236.332031 MB of memory in use. ENERGY: 625400 3938.9421 20473.6568 14585.7856 283.6597 -202899.0952 2396.1185 0.0000 0.0000 51567.2703 -109653.6621 296.3578 -161220.9325 -109298.2975 298.5243 -51.0097 -24.6427 762630.6959 6.7855 6.5597 PRESSURE: 625600 -267.551 176.428 -142.255 176.428 -172.611 93.7244 -142.255 93.7251 -191.951 GPRESSURE: 625600 -205.043 164.108 -202.895 191.198 -96.9884 -6.15726 -104.354 138.854 -220.46 PRESSAVG: 625600 33.5938 -31.6797 16.5974 -31.6797 12.4373 30.0456 16.5974 30.0457 -5.18743 GPRESSAVG: 625600 31.9295 -32.1712 16.0283 -30.2611 14.8398 31.6498 16.9915 29.214 -5.84987 TIMING: 625600 CPU: 1970.94, 0.00317921/step Wall: 1970.94, 0.00317921/step, 3.86309 hours remaining, 236.402344 MB of memory in use. ENERGY: 625600 3964.5926 20477.4170 14464.3106 226.6448 -203453.1201 2650.9782 0.0000 0.0000 51977.0516 -109692.1253 298.7128 -161669.1768 -109330.8796 298.5781 -210.7043 -174.1639 762220.3950 13.6146 13.6398 PRESSURE: 625800 -129.124 -167.705 -234.64 -167.705 -188.639 -72.5668 -234.64 -72.5685 -174.462 GPRESSURE: 625800 -137.522 -174.539 -170.079 -98.7046 -169.969 -53.1524 -262.43 -24.709 -98.4483 PRESSAVG: 625800 12.9643 -16.7658 -38.5001 -16.7659 31.9112 14.3714 -38.5001 14.3714 -8.84802 GPRESSAVG: 625800 13.5713 -14.8147 -38.5941 -18.6091 30.6458 13.3323 -39.0124 14.4569 -8.24505 TIMING: 625800 CPU: 1971.58, 0.00316933/step Wall: 1971.58, 0.00316933/step, 3.85091 hours remaining, 236.402344 MB of memory in use. ENERGY: 625800 3990.6954 20508.9901 14499.4623 249.0622 -202962.2324 2223.8099 0.0000 0.0000 51697.4410 -109792.7714 297.1059 -161490.2124 -109437.0393 298.5317 -164.0750 -135.3131 760631.7554 12.0091 11.9907 PRESSURE: 626000 -242.099 -289.459 221.196 -289.46 -25.7296 -34.7573 221.196 -34.7572 -122.144 GPRESSURE: 626000 -146.939 -225.642 187.713 -295.349 -108.006 -4.21578 147.896 -116.693 -47.7769 PRESSAVG: 626000 20.6368 15.9048 -13.9339 15.9048 -36.7758 72.1747 -13.9339 72.1747 17.3389 GPRESSAVG: 626000 20.8977 13.731 -13.236 17.9132 -37.0433 73.6244 -13.5987 73.0849 17.1278 TIMING: 626000 CPU: 1972.21, 0.00316285/step Wall: 1972.21, 0.00316284/step, 3.84286 hours remaining, 236.402344 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: 626000 4064.8127 20302.2665 14488.8256 230.5460 -203051.0557 2424.7461 0.0000 0.0000 51912.6967 -109627.1621 298.3430 -161539.8588 -109256.1968 298.3503 -129.9908 -100.9076 761809.0618 0.4000 0.3274 PRESSURE: 626200 -48.4392 -13.3896 149.188 -13.3891 142.987 140.509 149.188 140.508 -266.477 GPRESSURE: 626200 5.08887 -57.8784 178.105 -63.5584 183.962 105.492 108.296 160.166 -261.626 PRESSAVG: 626200 1.10262 -32.0299 -1.26292 -32.0299 3.46383 15.1033 -1.26295 15.1033 -16.7558 GPRESSAVG: 626200 1.34687 -31.6307 -1.24976 -33.6191 2.08291 13.3551 -0.804959 12.7026 -15.4845 TIMING: 626200 CPU: 1972.84, 0.00316344/step Wall: 1972.84, 0.00316344/step, 3.8434 hours remaining, 236.402344 MB of memory in use. ENERGY: 626200 3944.7779 20460.8511 14534.1329 237.2500 -203375.5452 2584.2331 0.0000 0.0000 52011.0143 -109603.2858 298.9080 -161614.3001 -109238.2293 299.0309 -57.3097 -24.1915 760278.5771 -4.0631 -4.0182 PRESSURE: 626400 -63.7242 162.092 -134.448 162.092 -89.0276 -165.105 -134.448 -165.105 -655.513 GPRESSURE: 626400 -46.2211 111.441 -215.673 208.571 -62.4228 -226.956 -77.0816 -121 -612.849 PRESSAVG: 626400 16.1504 -61.4932 -17.4006 -61.4932 -5.17162 28.967 -17.4005 28.9669 19.0296 GPRESSAVG: 626400 15.8653 -62.117 -17.5689 -60.7534 -3.94495 30.2745 -16.0258 31.3331 17.4905 TIMING: 626400 CPU: 1973.48, 0.00317964/step Wall: 1973.48, 0.00317963/step, 3.8629 hours remaining, 236.402344 MB of memory in use. ENERGY: 626400 3993.1300 20553.7850 14494.8821 230.8943 -203208.7753 2534.9561 0.0000 0.0000 51724.0744 -109677.0534 297.2590 -161401.1279 -109326.3999 298.6535 -269.4217 -240.4976 761369.7022 10.0028 9.8036 PRESSURE: 626600 308.358 -125.33 -363.396 -125.33 147.616 75.1672 -363.396 75.1664 -62.4222 GPRESSURE: 626600 413.03 -31.2103 -380.323 -209.45 140.352 35.0369 -245.266 90.5017 -43.5133 PRESSAVG: 626600 6.61457 -32.5018 8.62003 -32.5019 -41.2379 22.9187 8.6201 22.9187 5.11179 GPRESSAVG: 626600 7.46846 -32.5472 8.1922 -33.9356 -41.8282 23.7646 8.00359 22.9 4.72557 TIMING: 626600 CPU: 1974.11, 0.00317543/step Wall: 1974.11, 0.00317543/step, 3.85762 hours remaining, 236.402344 MB of memory in use. ENERGY: 626600 4004.3939 20416.9558 14529.3648 245.0913 -203534.1131 2725.7970 0.0000 0.0000 51909.6951 -109702.8152 298.3257 -161612.5103 -109334.9254 298.3025 131.1840 169.9563 761221.7066 -9.8372 -9.8781 PRESSURE: 626800 -159.314 0.909571 89.7241 0.909256 143.498 6.85336 89.7235 6.8529 99.7282 GPRESSURE: 626800 -158.824 110.605 79.2419 -37.5184 126.95 -40.0424 145.186 15.3438 205.835 PRESSAVG: 626800 -21.1387 -35.4055 -24.3394 -35.4055 21.2266 -12.3286 -24.3394 -12.3286 -20.0354 GPRESSAVG: 626800 -22.2204 -34.1123 -23.7236 -34.3432 20.2418 -14.194 -25.9 -12.4366 -18.531 TIMING: 626800 CPU: 1974.75, 0.00316021/step Wall: 1974.75, 0.00316021/step, 3.83896 hours remaining, 236.402344 MB of memory in use. ENERGY: 626800 4040.9745 20427.5737 14462.5061 280.5489 -203289.8922 2569.5117 0.0000 0.0000 51808.9022 -109699.8750 297.7465 -161508.7772 -109341.2979 298.5816 27.9709 57.9869 761800.6149 -6.6492 -6.8365 PRESSURE: 627000 162.451 53.3655 -301.247 53.3655 -13.5804 -88.1216 -301.248 -88.1216 24.7809 GPRESSURE: 627000 256.741 1.0911 -367.846 51.8556 8.1036 7.74937 -231.793 -110.439 -5.49897 PRESSAVG: 627000 29.5067 -33.2319 -76.5457 -33.2319 1.83104 -48.4047 -76.5457 -48.4046 -10.4065 GPRESSAVG: 627000 29.8105 -33.8206 -76.7561 -34.3792 1.9993 -48.2825 -75.0388 -50.2239 -10.9276 TIMING: 627000 CPU: 1975.38, 0.00319038/step Wall: 1975.38, 0.00319038/step, 3.87543 hours remaining, 236.402344 MB of memory in use. ENERGY: 627000 3981.5562 20521.5590 14536.4016 248.9428 -204010.6615 2899.9944 0.0000 0.0000 51939.4758 -109882.7316 298.4969 -161822.2074 -109513.3741 298.2141 57.8837 86.4485 760556.8272 6.9771 6.9607 PRESSURE: 627200 -181.623 -28.6007 59.7871 -28.6008 79.7463 -14.097 59.7864 -14.0972 234.318 GPRESSURE: 627200 -75.1625 -71.4517 -23.9164 -91.5226 127.037 25.2021 115.081 -25.6381 171.763 PRESSAVG: 627200 -27.7542 -50.0165 2.18267 -50.0164 -26.3419 -35.171 2.18267 -35.171 9.46504 GPRESSAVG: 627200 -28.0987 -50.2774 1.93355 -50.4847 -24.5466 -33.5631 1.04404 -35.1607 8.39959 TIMING: 627200 CPU: 1976.03, 0.00320841/step Wall: 1976.03, 0.00320841/step, 3.89714 hours remaining, 236.402344 MB of memory in use. ENERGY: 627200 4026.4767 20529.5851 14503.3623 237.7273 -203515.7050 2545.3536 0.0000 0.0000 51809.0702 -109864.1298 297.7474 -161673.2000 -109508.4586 297.9933 44.1468 74.5458 762362.4738 -14.8770 -14.7486 PRESSURE: 627400 -160.242 44.1969 20.5239 44.1966 60.6434 70.1202 20.5235 70.1213 -19.0039 GPRESSURE: 627400 -73.8082 94.5743 35.055 53.8938 39.6878 169.804 -0.496215 46.8591 12.096 PRESSAVG: 627400 37.9318 -13.3918 33.1309 -13.3917 31.9336 -4.29246 33.1309 -4.29237 21.6966 GPRESSAVG: 627400 38.5843 -15.1316 33.8554 -11.2598 30.2595 -5.32872 34.2704 -3.45581 21.8599 TIMING: 627400 CPU: 1976.67, 0.00320024/step Wall: 1976.67, 0.00320024/step, 3.88705 hours remaining, 236.402344 MB of memory in use. ENERGY: 627400 3879.1941 20552.6753 14559.9416 243.7518 -203770.3203 2716.0474 0.0000 0.0000 51889.9904 -109928.7196 298.2125 -161818.7100 -109577.1248 298.2086 -39.5343 -7.3415 761513.5283 30.5207 30.2345 PRESSURE: 627600 -213.921 3.33494 -33.6432 3.33386 -38.7888 223.291 -33.6432 223.292 40.4936 GPRESSURE: 627600 -112.724 -40.7134 -56.5763 -25.8468 -9.31003 246.661 -105.229 166.303 17.5854 PRESSAVG: 627600 -9.512 -34.7619 -96.886 -34.7619 20.7463 -11.4352 -96.886 -11.4352 -3.5295 GPRESSAVG: 627600 -10.0488 -32.1753 -97.1596 -36.9737 21.6987 -10.7872 -95.2924 -11.0486 -3.88982 TIMING: 627600 CPU: 1977.3, 0.00318714/step Wall: 1977.3, 0.00318714/step, 3.87096 hours remaining, 236.402344 MB of memory in use. ENERGY: 627600 3946.8796 20561.1468 14587.3839 245.0511 -203434.5741 2577.3973 0.0000 0.0000 51769.9723 -109746.7432 297.5227 -161516.7155 -109386.4599 298.4457 -70.7387 -34.8161 762205.4966 2.5683 2.5867 PRESSURE: 627800 -277.343 -210.35 -58.5582 -210.349 -47.2254 -42.5063 -58.5575 -42.5072 175.763 GPRESSURE: 627800 -189.254 -167.472 -129.936 -45.7624 -15.3402 -117.522 -77.3845 -32.566 153.686 PRESSAVG: 627800 16.8827 -23.3317 -72.1541 -23.3317 23.3127 -45.7882 -72.1541 -45.7883 1.2449 GPRESSAVG: 627800 18.5037 -23.3837 -72.5083 -20.9926 22.8456 -46.2383 -73.7388 -46.4871 0.548235 TIMING: 627800 CPU: 1977.94, 0.00317159/step Wall: 1977.94, 0.00317159/step, 3.85189 hours remaining, 236.402344 MB of memory in use. ENERGY: 627800 3989.1895 20621.1571 14485.3329 235.3452 -204015.0155 2961.4939 0.0000 0.0000 52102.6095 -109619.8873 299.4344 -161722.4968 -109248.8499 299.2255 -49.6017 -16.9696 761998.1819 13.8134 13.9658 PRESSURE: 628000 308.559 -133.065 228.914 -133.065 -5.39766 -90.588 228.914 -90.5883 -47.2198 GPRESSURE: 628000 200.268 -152.366 170.596 -158.243 80.5614 -166.279 190.67 -34.7532 46.3535 PRESSAVG: 628000 0.0150768 -18.0125 -45.9511 -18.0125 10.1888 17.6074 -45.9512 17.6074 -10.4034 GPRESSAVG: 628000 -2.17071 -18.391 -44.952 -20.6273 9.34367 16.5018 -45.7221 19.2051 -8.09295 TIMING: 628000 CPU: 1978.57, 0.00317482/step Wall: 1978.57, 0.00317482/step, 3.85565 hours remaining, 236.402344 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: 628000 3978.0240 20649.3544 14621.3572 249.1996 -203794.5974 2691.0695 0.0000 0.0000 51939.7050 -109665.8877 298.4982 -161605.5928 -109298.7680 299.1044 85.3137 109.0609 760629.5508 -0.0665 -0.3067 PRESSURE: 628200 87.7296 37.02 -270.606 37.0203 -3.41145 -94.0655 -270.605 -94.0664 -280.068 GPRESSURE: 628200 157.176 118.444 -226.668 -27.815 -29.4327 -90.323 -226.552 -49.1232 -248.309 PRESSAVG: 628200 -47.4765 41.4989 -35.121 41.4988 19.6187 -3.92687 -35.121 -3.92685 2.51673 GPRESSAVG: 628200 -46.66 41.1278 -35.6223 41.5933 19.6189 -3.96727 -32.7839 -3.09085 1.82762 TIMING: 628200 CPU: 1979.21, 0.00317607/step Wall: 1979.21, 0.00317607/step, 3.85699 hours remaining, 236.402344 MB of memory in use. ENERGY: 628200 3924.5921 20781.6470 14562.3163 239.7356 -203592.5839 2742.6897 0.0000 0.0000 51832.5721 -109509.0311 297.8825 -161341.6032 -109147.5916 298.8613 -65.2500 -40.1884 762479.7620 -8.4470 -8.4045 LDB: ============= START OF LOAD BALANCING ============== 1991.66 LDB: ============== END OF LOAD BALANCING =============== 1991.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1991.66 LDB: ============= START OF LOAD BALANCING ============== 1991.98 LDB: Largest compute 7073 load 0.035808 is 18.4% of average load 0.195104 LDB: Average compute 0.004380 is 2.2% of average load 0.195104 LDB: TIME 1991.98 LOAD: AVG 0.195104 MAX 0.21194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.176 MB LDB: TIME 1991.98 LOAD: AVG 0.195104 MAX 0.21194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.242 MB LDB: TIME 1991.98 LOAD: AVG 0.195104 MAX 0.21194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.242 MB LDB: ============== END OF LOAD BALANCING =============== 1991.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1991.99 PRESSURE: 628400 -150.104 121.957 14.4304 121.957 184.945 125.647 14.4309 125.648 469.839 GPRESSURE: 628400 -70.8993 58.5091 23.1876 166.425 172.579 121.216 -75.8967 86.6464 490.849 PRESSAVG: 628400 -45.1704 -17.3099 -53.6075 -17.3099 29.1978 -45.8227 -53.6075 -45.8226 14.5193 GPRESSAVG: 628400 -44.0712 -16.5907 -55.2796 -16.3011 29.0831 -45.1517 -55.3307 -47.7818 13.8311 TIMING: 628400 CPU: 1979.85, 0.00322537/step Wall: 1979.85, 0.00322537/step, 3.91667 hours remaining, 234.277344 MB of memory in use. ENERGY: 628400 4025.5418 20568.9673 14590.7550 261.9045 -203607.1475 2817.2273 0.0000 0.0000 51658.4193 -109684.3322 296.8816 -161342.7515 -109321.0846 298.8594 168.2266 197.5096 760943.1938 -0.4844 -0.3856 PRESSURE: 628600 -66.088 -134.437 122.033 -134.437 -448.86 165.186 122.034 165.186 -360.757 GPRESSURE: 628600 8.65456 -82.1425 -7.92582 -46.7233 -404.273 160.72 164.331 148.642 -396.012 PRESSAVG: 628600 70.0857 4.28311 5.30418 4.28304 -38.2482 -26.2583 5.3042 -26.2583 -11.5798 GPRESSAVG: 628600 69.3326 5.0041 7.42484 3.73324 -37.3606 -26.0104 2.57182 -26.7197 -11.5173 TIMING: 628600 CPU: 1980.48, 0.00315076/step Wall: 1980.48, 0.00315076/step, 3.82589 hours remaining, 234.277344 MB of memory in use. ENERGY: 628600 4056.5793 20501.9291 14483.6729 245.1892 -203586.3503 2671.3261 0.0000 0.0000 52124.7030 -109502.9506 299.5614 -161627.6536 -109138.2802 299.3548 -291.9017 -263.8769 762520.8134 6.7525 6.8183 PRESSURE: 628800 -306.607 -73.711 24.1596 -73.711 -164.312 63.7138 24.1591 63.713 -30.2785 GPRESSURE: 628800 -197.455 -80.0201 88.5125 -45.4761 -213.569 31.8661 46.8628 54.293 -3.48312 PRESSAVG: 628800 20.0379 16.6049 -10.3737 16.605 32.891 -9.9678 -10.3738 -9.96785 0.380961 GPRESSAVG: 628800 20.6159 14.4581 -9.24652 17.4503 32.1415 -9.62284 -9.63805 -9.62934 0.65439 TIMING: 628800 CPU: 1981.12, 0.0031708/step Wall: 1981.12, 0.0031708/step, 3.85005 hours remaining, 234.277344 MB of memory in use. ENERGY: 628800 4010.9451 20561.7982 14580.4582 236.4267 -203100.3220 2260.3564 0.0000 0.0000 51954.3500 -109495.9875 298.5824 -161450.3375 -109133.7418 299.3691 -167.0658 -138.1689 761922.6388 17.7699 17.8039 PRESSURE: 629000 -19.8666 -21.6615 -73.8302 -21.6616 184.639 -106.547 -73.8297 -106.545 -500.634 GPRESSURE: 629000 24.4083 -68.6467 -104.155 -73.544 182.883 -125.848 -42.4374 -3.04409 -470.517 PRESSAVG: 629000 -16.1439 15.6619 -13.6433 15.6619 11.6361 -34.2199 -13.6433 -34.2199 36.2317 GPRESSAVG: 629000 -16.6186 16.4691 -15.6027 12.7153 13.0863 -34.8439 -12.0799 -31.4658 35.2656 TIMING: 629000 CPU: 1981.75, 0.00315419/step Wall: 1981.75, 0.00315419/step, 3.82971 hours remaining, 234.277344 MB of memory in use. ENERGY: 629000 4031.0696 20608.8903 14465.8606 253.5388 -203438.4198 2729.6393 0.0000 0.0000 51851.1416 -109498.2796 297.9892 -161349.4213 -109141.6450 299.2072 -111.9541 -87.7421 762699.1684 10.5747 10.5778 PRESSURE: 629200 -277.114 -110.623 7.11743 -110.623 49.3684 -289.431 7.11732 -289.431 237.03 GPRESSURE: 629200 -179.909 -212.108 -14.5013 -109.275 47.549 -221.61 -16.2848 -212.619 227.869 PRESSAVG: 629200 7.70464 0.104277 -51.54 0.104242 28.694 -22.9679 -51.5399 -22.9679 20.5052 GPRESSAVG: 629200 8.83486 -1.012 -50.8385 3.7199 27.1905 -22.1176 -51.4983 -23.5223 21.1885 TIMING: 629200 CPU: 1982.38, 0.00316982/step Wall: 1982.38, 0.00316982/step, 3.84851 hours remaining, 234.277344 MB of memory in use. ENERGY: 629200 4008.4289 20547.8288 14581.3572 239.8040 -203576.7113 2652.2180 0.0000 0.0000 52013.6957 -109533.3787 298.9234 -161547.0744 -109172.7328 299.3315 3.0948 31.8363 761104.0196 18.9679 19.0713 PRESSURE: 629400 25.1193 77.4829 103.456 77.4826 172.032 64.4347 103.457 64.4343 -106.905 GPRESSURE: 629400 99.1897 72.9255 113.252 116.406 196.944 70.9631 93.852 -49.2218 -96.5911 PRESSAVG: 629400 -70.7425 -63.3432 30.0322 -63.3431 10.602 -52.4117 30.0322 -52.4117 -8.13303 GPRESSAVG: 629400 -71.1655 -63.1545 28.7355 -65.1616 11.453 -52.7512 32.2325 -55.4855 -8.11765 TIMING: 629400 CPU: 1983.01, 0.00316334/step Wall: 1983.01, 0.00316334/step, 3.84046 hours remaining, 234.277344 MB of memory in use. ENERGY: 629400 4050.0235 20457.3531 14530.1918 253.7991 -203913.7790 2950.2620 0.0000 0.0000 51969.2287 -109702.9208 298.6679 -161672.1494 -109336.4249 299.1298 30.0823 66.5141 760226.9103 -22.7578 -22.6100 PRESSURE: 629600 77.9781 29.3931 -16.8592 29.3934 198.912 40.5991 -16.8584 40.5987 134.652 GPRESSURE: 629600 233.448 -33.4357 8.31815 39.7212 143.231 34.7973 -38.6119 13.8615 107.375 PRESSAVG: 629600 19.4809 -29.2694 44.7059 -29.2693 36.264 -23.9827 44.7059 -23.9827 -5.27888 GPRESSAVG: 629600 19.9852 -29.2387 45.5316 -27.0106 35.0485 -24.358 42.9945 -20.9459 -4.63274 TIMING: 629600 CPU: 1983.65, 0.003156/step Wall: 1983.65, 0.003156/step, 3.83139 hours remaining, 234.277344 MB of memory in use. ENERGY: 629600 3986.3222 20395.8380 14522.3504 257.1988 -203753.3750 2798.1044 0.0000 0.0000 52066.8983 -109726.6628 299.2292 -161793.5612 -109349.3353 298.9195 137.1808 161.3516 759843.4778 16.8220 16.8003 PRESSURE: 629800 -42.0829 62.5394 208.946 62.5393 -359.145 77.8795 208.946 77.879 344.582 GPRESSURE: 629800 -13.2175 35.4566 148.318 133.556 -387.623 7.72467 147.801 127.912 413.422 PRESSAVG: 629800 -14.595 -12.1055 37.9836 -12.1055 25.6162 36.6079 37.9836 36.6079 6.37386 GPRESSAVG: 629800 -14.7074 -12.3921 38.1565 -12.026 25.8766 35.3898 37.5271 37.0315 6.12475 TIMING: 629800 CPU: 1984.28, 0.00315094/step Wall: 1984.28, 0.00315094/step, 3.82507 hours remaining, 234.277344 MB of memory in use. ENERGY: 629800 3939.0832 20381.7759 14554.4126 235.9562 -203456.6429 2659.0675 0.0000 0.0000 52075.8611 -109610.4863 299.2807 -161686.3475 -109244.8762 298.8896 -18.8821 4.1937 762196.7098 5.7984 5.7646 PRESSURE: 630000 105.223 -59.2559 78.7272 -59.2554 157.087 -130.558 78.7271 -130.558 117.695 GPRESSURE: 630000 5.16746 -1.44539 120.27 0.524872 306.548 -181.248 63.9612 -86.9597 158.801 PRESSAVG: 630000 -44.5148 -37.3929 12.6209 -37.3928 23.222 -33.9961 12.6209 -33.996 -0.70957 GPRESSAVG: 630000 -45.5808 -36.3481 12.8083 -38.506 23.9241 -33.1995 12.6437 -35.6736 -0.261536 TIMING: 630000 CPU: 1984.91, 0.00316473/step Wall: 1984.91, 0.00316473/step, 3.84163 hours remaining, 234.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 3967.3844 20474.8957 14508.7504 241.4447 -203591.1985 2751.4854 0.0000 0.0000 51886.8063 -109760.4316 298.1942 -161647.2379 -109411.6919 298.3833 126.6681 156.8385 760950.6481 -7.3341 -7.3061 PRESSURE: 630200 47.7645 -22.2324 95.3511 -22.232 27.2552 -74.0617 95.3509 -74.0629 48.0089 GPRESSURE: 630200 0.691031 -11.3758 141.249 -33.6559 144.954 22.7095 62.3893 -0.755838 71.105 PRESSAVG: 630200 -4.64832 -34.3407 12.9577 -34.3406 -3.92083 -44.524 12.9577 -44.5241 -6.28718 GPRESSAVG: 630200 -3.86954 -32.7259 13.0452 -35.4229 -2.18219 -43.1788 12.895 -45.1749 -8.46054 TIMING: 630200 CPU: 1985.54, 0.0031692/step Wall: 1985.54, 0.0031692/step, 3.84688 hours remaining, 234.277344 MB of memory in use. ENERGY: 630200 3952.0753 20378.0186 14517.0003 234.6399 -203508.9383 2844.7948 0.0000 0.0000 51903.9177 -109678.4917 298.2925 -161582.4094 -109313.4709 298.1692 41.0095 72.2499 764450.2878 -4.9521 -4.8374 PRESSURE: 630400 -78.1343 -85.0656 -62.1935 -85.0656 -77.0138 53.6202 -62.1929 53.6197 234.664 GPRESSURE: 630400 38.0054 -6.88777 -67.3545 2.44994 -137.978 64.7628 -42.3088 13.1697 259.468 PRESSAVG: 630400 -25.0585 11.2532 -19.413 11.2532 8.78004 -68.7451 -19.413 -68.745 6.01295 GPRESSAVG: 630400 -24.7613 11.5807 -19.6717 12.761 6.83836 -69.4541 -19.1216 -69.4837 7.77418 TIMING: 630400 CPU: 1986.17, 0.0031633/step Wall: 1986.17, 0.0031633/step, 3.83955 hours remaining, 234.277344 MB of memory in use. ENERGY: 630400 4007.6626 20550.3843 14591.9185 264.8432 -203660.6702 2816.1158 0.0000 0.0000 51945.1179 -109484.6279 298.5293 -161429.7458 -109135.5754 298.5172 26.5053 53.1653 762916.1982 -3.4219 -3.3829 PRESSURE: 630600 -209.504 -58.4115 -95.6017 -58.4124 -400.431 -198.657 -95.6021 -198.658 -181.509 GPRESSURE: 630600 -152.301 47.2792 -27.5345 -16.5149 -410.668 -221.279 60.344 -127.66 -127.014 PRESSAVG: 630600 10.7817 -31.9873 -65.3087 -31.9873 29.6978 -36.7161 -65.3088 -36.7161 1.88586 GPRESSAVG: 630600 10.4896 -33.7182 -65.9496 -30.5339 29.4981 -36.4716 -66.2071 -34.4163 2.22119 TIMING: 630600 CPU: 1986.81, 0.00316417/step Wall: 1986.81, 0.00316417/step, 3.84042 hours remaining, 234.277344 MB of memory in use. ENERGY: 630600 3965.5331 20383.5436 14577.2250 246.6982 -203147.3848 2317.0681 0.0000 0.0000 52254.5666 -109402.7502 300.3077 -161657.3168 -109034.7605 299.1977 -263.8148 -229.9943 762393.3512 14.1218 14.0696 PRESSURE: 630800 -237.925 -115.911 13.4816 -115.911 -153.347 -95.7935 13.4816 -95.7927 -0.691597 GPRESSURE: 630800 -187.149 -173.851 -12.963 -49.2857 -131.429 -76.5851 9.39552 -54.3942 5.42449 PRESSAVG: 630800 1.94801 -20.1848 -30.3561 -20.1848 19.4066 -30.0369 -30.356 -30.0369 3.28849 GPRESSAVG: 630800 2.81336 -19.7393 -29.9934 -21.0161 19.1344 -28.9924 -29.801 -32.2958 2.86492 TIMING: 630800 CPU: 1987.44, 0.00315072/step Wall: 1987.44, 0.00315072/step, 3.82393 hours remaining, 234.277344 MB of memory in use. ENERGY: 630800 4020.1505 20404.4291 14531.9022 250.2148 -203099.7074 2484.0121 0.0000 0.0000 52305.8987 -109103.1001 300.6027 -161408.9988 -108745.2385 299.0252 -130.6547 -104.3844 761974.9382 8.2144 8.2709 PRESSURE: 631000 284.202 -91.3307 206.485 -91.3309 -263.45 71.3233 206.483 71.3234 97.5036 GPRESSURE: 631000 222.653 -11.2518 155.921 -92.3873 -191.612 58.6185 79.9119 112.896 188.426 PRESSAVG: 631000 -2.72927 -27.7964 28.6325 -27.7963 -23.4541 -12.798 28.6325 -12.798 16.1666 GPRESSAVG: 631000 -3.99341 -29.949 28.979 -28.513 -22.0152 -15.9874 29.2432 -11.0774 16.4079 TIMING: 631000 CPU: 1988.07, 0.00316868/step Wall: 1988.07, 0.00316868/step, 3.84555 hours remaining, 234.277344 MB of memory in use. ENERGY: 631000 3903.4342 20512.4133 14512.0251 240.1528 -202801.9113 2440.1782 0.0000 0.0000 51752.1076 -109441.6001 297.4201 -161193.7077 -109072.7973 298.9371 39.4186 73.1558 760727.1930 -3.3389 -3.2003 PRESSURE: 631200 49.7622 -180.183 90.5495 -180.183 -333.091 -229.086 90.5489 -229.087 -101.704 GPRESSURE: 631200 33.0346 -100.183 0.326672 -183.34 -199.128 -277.355 123.866 -161.827 -132.117 PRESSAVG: 631200 -15.1061 -45.8355 -2.55047 -45.8355 10.3556 -34.5558 -2.55046 -34.5558 3.77192 GPRESSAVG: 631200 -14.6143 -46.413 -3.29594 -44.5653 9.81721 -32.8572 -2.7064 -35.0986 3.58494 TIMING: 631200 CPU: 1988.71, 0.00318325/step Wall: 1988.71, 0.00318325/step, 3.86305 hours remaining, 234.277344 MB of memory in use. ENERGY: 631200 4025.8778 20472.1371 14551.9000 240.8651 -203226.3500 2409.6195 0.0000 0.0000 52185.7119 -109340.2386 299.9120 -161525.9505 -108978.6880 298.9651 -128.3443 -99.4033 761388.2062 -0.3262 -0.4040 PRESSURE: 631400 -115.673 70.5765 192.996 70.5769 493.777 -1.36463 192.996 -1.36456 229.675 GPRESSURE: 631400 -14.8262 35.3888 179.896 66.2545 441.314 49.5581 202.614 -13.5858 297.159 PRESSAVG: 631400 14.9368 -75.8836 61.1252 -75.8835 -4.36888 -1.29374 61.1253 -1.29382 15.5756 GPRESSAVG: 631400 14.8343 -75.3353 61.524 -77.4066 -5.69365 -2.12594 60.6312 -1.17043 16.9097 TIMING: 631400 CPU: 1989.34, 0.00316614/step Wall: 1989.34, 0.00316614/step, 3.84211 hours remaining, 234.277344 MB of memory in use. ENERGY: 631400 3956.2603 20526.1108 14444.8806 240.5505 -203412.4637 2745.0383 0.0000 0.0000 52088.6554 -109410.9677 299.3542 -161499.6231 -109053.0676 299.1429 202.5933 241.2155 760370.0939 8.7145 8.6835 PRESSURE: 631600 -368.059 -15.1475 47.5377 -15.147 -48.9551 -53.3416 47.5376 -53.3423 -262.629 GPRESSURE: 631600 -278.096 -73.0221 72.51 15.7898 -64.7759 -16.3966 -11.8519 -48.6138 -224.35 PRESSAVG: 631600 -41.5878 -36.0739 52.9914 -36.0739 30.4724 -13.6776 52.9915 -13.6776 4.1468 GPRESSAVG: 631600 -41.0359 -35.0947 53.8514 -36.0525 30.7764 -13.2272 52.2303 -12.839 3.42379 TIMING: 631600 CPU: 1989.97, 0.00315915/step Wall: 1989.97, 0.00315915/step, 3.83345 hours remaining, 234.277344 MB of memory in use. ENERGY: 631600 4013.0458 20530.6229 14489.0276 244.6205 -203176.6086 2509.0613 0.0000 0.0000 51804.1349 -109586.0957 297.7191 -161390.2306 -109219.9563 299.0539 -226.5479 -189.0737 761570.6704 -2.3229 -2.2785 PRESSURE: 631800 -243.221 91.1301 10.191 91.1306 119.862 -11.7963 10.1911 -11.7954 244.314 GPRESSURE: 631800 -180.487 -28.2838 10.6384 104.175 68.8147 -56.0235 -47.7438 -5.89619 302.304 PRESSAVG: 631800 -42.1572 -32.4399 -3.05299 -32.4399 4.74682 -3.65081 -3.05297 -3.65075 -8.14448 GPRESSAVG: 631800 -42.2247 -32.3467 -3.90095 -32.6757 4.44797 -2.49304 -0.898374 -4.54517 -7.6397 TIMING: 631800 CPU: 1990.6, 0.00315707/step Wall: 1990.6, 0.00315707/step, 3.83076 hours remaining, 234.277344 MB of memory in use. ENERGY: 631800 3997.2987 20442.7452 14515.7705 246.1115 -203890.0609 2791.1860 0.0000 0.0000 52260.2370 -109636.7120 300.3403 -161896.9490 -109273.2220 298.7448 40.3181 63.5439 760773.3593 -15.1849 -15.1388 PRESSURE: 632000 -88.0372 -70.0333 146.24 -70.0329 -76.065 53.8037 146.24 53.8046 211.433 GPRESSURE: 632000 -62.9632 -23.0538 82.6134 -130.262 19.0381 11.7459 86.1079 -35.0138 191.904 PRESSAVG: 632000 -14.5351 -17.8148 42.7275 -17.8148 20.2563 -40.4897 42.7275 -40.4899 4.5639 GPRESSAVG: 632000 -14.388 -17.5739 44.5041 -17.6953 21.2956 -41.2842 42.1 -40.796 3.54671 TIMING: 632000 CPU: 1991.24, 0.00318186/step Wall: 1991.24, 0.00318186/step, 3.86065 hours remaining, 234.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 3999.6012 20479.8562 14482.8593 246.3368 -203144.0291 2366.4343 0.0000 0.0000 51990.8162 -109578.1249 298.7919 -161568.9412 -109207.0745 298.8099 15.7768 49.3262 761334.7458 3.4284 3.4848 PRESSURE: 632200 239.868 -36.5718 43.7185 -36.5722 242.705 -113.828 43.7186 -113.829 152.12 GPRESSURE: 632200 233.787 -87.5434 35.5939 19.1113 373.196 -254.239 48.5237 -26.5411 124.859 PRESSAVG: 632200 -14.873 -10.8517 54.7145 -10.8517 32.9226 15.9307 54.7146 15.9307 -9.09319 GPRESSAVG: 632200 -15.3326 -12.5726 53.2698 -8.3485 32.5257 14.4192 54.522 17.418 -8.75781 TIMING: 632200 CPU: 1991.87, 0.00316487/step Wall: 1991.87, 0.00316487/step, 3.83987 hours remaining, 234.277344 MB of memory in use. ENERGY: 632200 3964.0561 20573.6570 14501.5730 224.8832 -203472.0458 2661.1177 0.0000 0.0000 51983.6357 -109563.1231 298.7507 -161546.7587 -109201.2751 298.7350 211.5645 243.9473 761661.4910 2.9855 2.8118 LDB: ============= START OF LOAD BALANCING ============== 2004.33 LDB: ============== END OF LOAD BALANCING =============== 2004.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2004.33 LDB: ============= START OF LOAD BALANCING ============== 2004.65 LDB: Largest compute 7025 load 0.036004 is 18.5% of average load 0.195028 LDB: Average compute 0.004375 is 2.2% of average load 0.195028 LDB: TIME 2004.65 LOAD: AVG 0.195028 MAX 0.214787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 2004.65 LOAD: AVG 0.195028 MAX 0.214787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: TIME 2004.65 LOAD: AVG 0.195028 MAX 0.214787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.562 MB LDB: ============== END OF LOAD BALANCING =============== 2004.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2004.66 PRESSURE: 632400 -58.8543 79.0133 -32.9604 79.0136 -56.2599 10.7814 -32.9605 10.7803 237.692 GPRESSURE: 632400 -48.3182 -4.80035 9.40024 170.176 -48.0035 33.5582 -51.2144 -10.1522 300.087 PRESSAVG: 632400 -40.3355 1.62681 47.7681 1.62679 13.6862 -45.4185 47.7681 -45.4185 -26.3413 GPRESSAVG: 632400 -39.659 3.24339 49.6025 -1.70007 13.2924 -44.1072 46.2927 -45.4559 -26.6139 TIMING: 632400 CPU: 1992.52, 0.00324756/step Wall: 1992.52, 0.00324756/step, 3.94002 hours remaining, 235.777344 MB of memory in use. ENERGY: 632400 3975.9848 20561.1204 14585.2543 219.0788 -203719.0382 2719.9525 0.0000 0.0000 51980.6674 -109676.9800 298.7336 -161657.6474 -109306.8754 298.9965 40.8592 67.9217 760529.4830 -17.6635 -17.6602 PRESSURE: 632600 124.145 -159.353 -103.515 -159.354 227.65 250.295 -103.515 250.295 207.47 GPRESSURE: 632600 93.0751 -107.147 -44.7684 -170.731 214.502 224.088 -178.733 141.937 324.409 PRESSAVG: 632600 -21.2702 -3.30286 -10.2769 -3.30287 40.0246 -8.71392 -10.277 -8.71394 34.7787 GPRESSAVG: 632600 -22.0982 -0.989433 -12.3008 -3.29305 38.969 -8.41987 -7.44882 -9.25634 36.2223 TIMING: 632600 CPU: 1993.16, 0.00316366/step Wall: 1993.16, 0.00316366/step, 3.83804 hours remaining, 235.980469 MB of memory in use. ENERGY: 632600 4012.0937 20471.3290 14456.6057 235.2939 -203715.8116 2928.1722 0.0000 0.0000 51991.5044 -109620.8127 298.7959 -161612.3172 -109258.0779 298.9870 186.4214 210.6621 759564.7159 17.8443 17.6977 PRESSURE: 632800 -87.8376 -24.107 -53.0646 -24.1069 32.1812 -170.165 -53.0648 -170.165 20.2195 GPRESSURE: 632800 12.5586 -46.5061 -130.56 15.7892 -14.1732 -188.752 35.3847 -61.6256 63.9782 PRESSAVG: 632800 45.0868 26.9006 -18.0094 26.9006 -19.7836 -67.3508 -18.0094 -67.3509 -18.6804 GPRESSAVG: 632800 45.3942 25.6844 -18.2674 27.4982 -19.9947 -67.9516 -19.471 -68.2218 -19.3371 TIMING: 632800 CPU: 1993.79, 0.00316191/step Wall: 1993.79, 0.00316191/step, 3.83575 hours remaining, 235.980469 MB of memory in use. ENERGY: 632800 3994.9563 20413.2817 14531.9550 240.8841 -203574.7848 2750.8851 0.0000 0.0000 51995.0595 -109647.7631 298.8163 -161642.8225 -109285.6401 298.7023 -11.8123 20.7879 761984.7034 2.2076 2.0208 PRESSURE: 633000 58.4165 -216.438 57.1737 -216.438 -97.2396 53.3385 57.173 53.3375 88.5823 GPRESSURE: 633000 92.0357 -22.916 48.8663 -158.714 -85.7372 104.823 -33.2444 66.3267 139.166 PRESSAVG: 633000 39.1032 -32.1237 -20.5471 -32.1236 -22.934 20.6251 -20.547 20.6252 -2.77569 GPRESSAVG: 633000 39.2589 -32.6399 -19.1809 -30.3015 -22.4426 21.9594 -21.5077 21.9183 -3.19982 TIMING: 633000 CPU: 1994.42, 0.00316528/step Wall: 1994.42, 0.00316528/step, 3.83966 hours remaining, 235.980469 MB of memory in use. ENERGY: 633000 3966.4529 20472.7601 14555.2387 242.9471 -203742.6015 2688.7922 0.0000 0.0000 51965.8814 -109850.5292 298.6486 -161816.4106 -109480.9152 298.3840 16.5864 48.4882 760790.8039 4.4645 4.5388 PRESSURE: 633200 296.339 140.338 153.813 140.338 192.298 111.126 153.814 111.126 477.611 GPRESSURE: 633200 274.314 -44.7003 161.727 90.4537 272.846 54.7497 3.72212 113.334 505.1 PRESSAVG: 633200 61.5453 16.5797 27.9378 16.5797 -13.9539 -5.04714 27.9378 -5.04716 -3.21215 GPRESSAVG: 633200 60.2477 14.4982 28.4937 14.23 -13.3919 -6.2447 28.8586 -6.33108 -1.77459 TIMING: 633200 CPU: 1995.06, 0.00316914/step Wall: 1995.06, 0.00316914/step, 3.84416 hours remaining, 235.980469 MB of memory in use. ENERGY: 633200 3977.2751 20424.3632 14430.0744 239.7969 -204050.2096 2975.8873 0.0000 0.0000 52166.5050 -109836.3077 299.8016 -162002.8127 -109454.4346 298.5576 322.0827 350.7531 759365.2510 14.7931 15.0271 PRESSURE: 633400 -371.994 -58.2065 -31.1811 -58.2072 250.334 -36.6434 -31.1825 -36.6432 8.78319 GPRESSURE: 633400 -196.226 1.56116 -114.642 -112.644 260.374 88.5876 45.5836 -24.0343 -101.84 PRESSAVG: 633400 -15.4865 0.808914 -10.7075 0.808864 -5.37215 -21.6984 -10.7074 -21.6985 -6.39192 GPRESSAVG: 633400 -13.2384 5.44367 -12.8369 -0.521331 -7.25627 -19.8133 -10.0389 -20.8588 -7.27411 TIMING: 633400 CPU: 1995.69, 0.00315201/step Wall: 1995.69, 0.00315201/step, 3.82321 hours remaining, 235.980469 MB of memory in use. ENERGY: 633400 3998.8611 20422.1560 14528.3826 260.5902 -203740.7773 2767.5290 0.0000 0.0000 52024.4463 -109738.8121 298.9852 -161763.2584 -109381.7433 298.4192 -37.6254 -12.5638 761242.0655 -9.0835 -9.2563 PRESSURE: 633600 58.8571 -48.7541 -71.5937 -48.7536 293.884 53.1377 -71.5935 53.1396 332.719 GPRESSURE: 633600 113.283 3.43166 -134.473 -58.7982 358.587 71.2062 -38.7548 85.0959 297.704 PRESSAVG: 633600 97.077 -4.54821 17.5018 -4.54825 -50.1176 -5.86679 17.5019 -5.86678 31.5671 GPRESSAVG: 633600 95.2583 -6.12492 16.6203 -2.67178 -47.6197 -6.76055 18.5017 -4.33757 30.0566 TIMING: 633600 CPU: 1996.31, 0.00314281/step Wall: 1996.31, 0.00314281/step, 3.81188 hours remaining, 235.980469 MB of memory in use. ENERGY: 633600 3977.7753 20561.6320 14480.9361 259.4481 -203747.0929 2838.1437 0.0000 0.0000 52006.2022 -109622.9555 298.8804 -161629.1577 -109257.0670 298.8009 228.4865 256.5246 759543.6780 26.1755 25.8984 PRESSURE: 633800 79.1789 -107.512 -120.92 -107.512 98.5638 148.835 -120.92 148.835 -359.325 GPRESSURE: 633800 59.5361 -127.638 -8.92718 -77.7344 117.363 169.009 -130.581 126.197 -298.373 PRESSAVG: 633800 32.0275 -56.2284 81.2959 -56.2283 -3.09756 32.0045 81.2959 32.0046 0.62156 GPRESSAVG: 633800 31.4729 -58.5456 82.3064 -55.2995 -4.18481 31.7998 79.8903 29.0521 1.86634 TIMING: 633800 CPU: 1996.95, 0.00316038/step Wall: 1996.95, 0.00316038/step, 3.83301 hours remaining, 235.980469 MB of memory in use. ENERGY: 633800 3955.0897 20508.4857 14572.6477 246.2805 -203324.8808 2590.2188 0.0000 0.0000 51737.7452 -109714.4131 297.3375 -161452.1583 -109353.0552 298.9699 -60.5273 -40.4913 760579.0722 9.8505 9.7182 PRESSURE: 634000 -84.9615 19.895 -56.1735 19.8956 259.369 147.751 -56.1732 147.75 141.791 GPRESSURE: 634000 98.4874 106.177 -45.6808 -1.22611 154.394 140.893 -71.405 110.395 133.88 PRESSAVG: 634000 -29.7045 -27.2397 13.4317 -27.2397 30.3373 2.88194 13.4317 2.88201 17.947 GPRESSAVG: 634000 -28.4046 -26.1359 13.121 -27.5546 29.0581 3.73445 15.3003 4.83796 17.5573 TIMING: 634000 CPU: 1997.59, 0.00319343/step Wall: 1997.59, 0.00319343/step, 3.87292 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: 634000 4077.0424 20499.5362 14505.5429 236.7701 -203363.7672 2655.9968 0.0000 0.0000 51728.6789 -109660.1999 297.2854 -161388.8788 -109307.3239 298.8107 105.3994 128.9206 761323.5461 6.1933 6.0703 PRESSURE: 634200 24.5696 9.19958 314.908 9.20039 123.483 42.0432 314.908 42.0449 3.73677 GPRESSURE: 634200 12.8438 39.4431 242.479 -38.644 153.255 74.9455 172.311 44.6582 60.7271 PRESSAVG: 634200 4.12111 -7.82361 38.0354 -7.82361 -10.4969 14.6126 38.0354 14.6126 1.38286 GPRESSAVG: 634200 3.21413 -8.02621 38.6046 -7.44111 -9.59239 12.6292 36.0913 12.3855 1.41415 TIMING: 634200 CPU: 1998.22, 0.00317349/step Wall: 1998.22, 0.00317349/step, 3.84856 hours remaining, 236.179688 MB of memory in use. ENERGY: 634200 3920.8699 20533.3776 14596.5448 242.3344 -203647.4105 2843.4081 0.0000 0.0000 51963.7427 -109547.1330 298.6363 -161510.8757 -109182.8046 298.6983 50.5963 75.6088 761163.0066 -1.6643 -1.6547 PRESSURE: 634400 -482.656 -146.052 82.1206 -146.053 243.072 4.98326 82.1202 4.98394 -113.326 GPRESSURE: 634400 -399.376 -142.175 -26.5279 -64.2954 206.903 -46.7173 184.414 18.5862 -92.1853 PRESSAVG: 634400 -15.9907 -35.2214 38.5525 -35.2214 -11.6204 17.3133 38.5525 17.3134 3.30532 GPRESSAVG: 634400 -15.1703 -35.5881 39.5081 -34.9068 -11.8601 18.8588 38.2443 19.0665 3.01017 TIMING: 634400 CPU: 1998.85, 0.00316185/step Wall: 1998.85, 0.00316185/step, 3.83427 hours remaining, 236.179688 MB of memory in use. ENERGY: 634400 4010.2307 20658.8356 14470.1159 233.3767 -203291.0512 2399.6646 0.0000 0.0000 51872.6056 -109646.2222 298.1126 -161518.8278 -109304.8564 298.8373 -117.6368 -94.8861 758756.8858 -8.1019 -8.0068 PRESSURE: 634600 317.824 -72.0642 -371.55 -72.0654 -5.44433 -28.5137 -371.55 -28.5123 66.2961 GPRESSURE: 634600 354.995 -118.424 -382.369 -115.054 65.9208 36.8188 -345.914 4.12439 40.8497 PRESSAVG: 634600 15.252 -10.5248 28.7798 -10.5249 -10.8488 29.4869 28.7798 29.4869 2.2078 GPRESSAVG: 634600 14.8433 -10.8327 26.7127 -10.9924 -10.4589 29.3042 32.3734 31.2774 1.8946 TIMING: 634600 CPU: 1999.48, 0.00315622/step Wall: 1999.48, 0.00315622/step, 3.82727 hours remaining, 236.179688 MB of memory in use. ENERGY: 634600 3969.7307 20602.3296 14471.2876 263.9106 -203068.6747 2262.6890 0.0000 0.0000 52030.7530 -109467.9743 299.0215 -161498.7273 -109107.1158 299.2130 126.2252 153.9218 759530.0212 2.2037 2.0930 PRESSURE: 634800 -19.6378 -38.709 -1.91887 -38.7096 13.7568 -61.3656 -1.9187 -61.3657 -204.166 GPRESSURE: 634800 -61.6769 22.0535 58.2646 -139.518 71.6413 -135.38 75.266 51.2881 -130.744 PRESSAVG: 634800 9.02649 -1.04276 51.6793 -1.04274 1.41729 19.9818 51.6793 19.9818 -0.749438 GPRESSAVG: 634800 7.94218 -0.656966 49.7537 0.198736 1.98322 19.4067 50.8661 17.0384 -0.0777724 TIMING: 634800 CPU: 2000.11, 0.00314836/step Wall: 2000.11, 0.00314836/step, 3.81757 hours remaining, 236.179688 MB of memory in use. ENERGY: 634800 3939.2263 20405.2477 14498.1145 249.8813 -203226.3036 2663.5908 0.0000 0.0000 52092.8855 -109377.3574 299.3785 -161470.2429 -109017.5070 299.5065 -70.0157 -40.2599 759941.8993 3.2314 3.2825 PRESSURE: 635000 -56.1642 -65.8478 68.0912 -65.8466 -36.6393 -153.919 68.0923 -153.918 -117.396 GPRESSURE: 635000 -58.3393 -10.5613 120.599 -46.7404 -68.9799 -121.102 52.2863 -132.353 9.289 PRESSAVG: 635000 -12.4849 -2.287 0.0047645 -2.28695 25.23 41.0247 0.00474279 41.0247 6.18287 GPRESSAVG: 635000 -11.6422 -1.83651 2.78781 -4.83346 24.4134 41.2983 -1.43554 43.163 5.90026 TIMING: 635000 CPU: 2000.74, 0.00315285/step Wall: 2000.74, 0.00315285/step, 3.82283 hours remaining, 236.179688 MB of memory in use. ENERGY: 635000 4019.5547 20640.4298 14440.2285 236.6627 -203302.7606 2661.3126 0.0000 0.0000 52058.8216 -109245.7506 299.1828 -161304.5722 -108881.1041 299.2024 -70.0663 -39.3434 761893.1706 6.3093 6.2238 PRESSURE: 635200 160.56 107.457 47.8064 107.457 -26.9574 92.9833 47.8076 92.9846 62.5134 GPRESSURE: 635200 146.565 139.479 -28.3492 67.8889 25.8993 218.228 80.571 -45.2685 105.586 PRESSAVG: 635200 12.5031 6.81595 9.36832 6.81599 -27.7407 -6.49675 9.36832 -6.49672 -5.64173 GPRESSAVG: 635200 11.6478 6.50449 9.32402 7.48332 -27.8503 -5.98207 9.57608 -6.801 -5.02425 TIMING: 635200 CPU: 2001.38, 0.00315641/step Wall: 2001.38, 0.00315641/step, 3.82698 hours remaining, 236.179688 MB of memory in use. ENERGY: 635200 4053.9500 20568.1974 14481.8354 228.0384 -203070.8988 2553.1779 0.0000 0.0000 52203.2964 -108982.4033 300.0131 -161185.6997 -108630.3097 299.6145 65.3719 92.6835 761393.6684 -6.9598 -7.0756 PRESSURE: 635400 -348.615 -182.702 -132.45 -182.703 -86.3731 -45.0786 -132.45 -45.0782 -140.507 GPRESSURE: 635400 -234.118 -153.665 -210.274 -203.265 -92.978 -150.186 27.6735 -94.0663 -150.202 PRESSAVG: 635400 15.3982 -9.78095 -25.528 -9.78093 -51.9978 -5.38877 -25.528 -5.3888 11.1882 GPRESSAVG: 635400 16.3883 -9.80265 -23.1239 -11.0023 -52.4476 -7.78306 -26.0816 -5.41532 11.177 TIMING: 635400 CPU: 2002.01, 0.0031785/step Wall: 2002.01, 0.0031785/step, 3.85358 hours remaining, 236.179688 MB of memory in use. ENERGY: 635400 3979.9790 20498.1649 14499.7704 228.5329 -203140.0863 2564.3662 0.0000 0.0000 52080.6316 -109288.6414 299.3081 -161369.2730 -108925.4909 299.5012 -191.8316 -159.0992 760668.6629 -8.4704 -8.2941 PRESSURE: 635600 307.334 -110.154 182.181 -110.155 300.01 233.708 182.181 233.71 178.773 GPRESSURE: 635600 340.042 -47.0021 139.925 -199.692 321.383 320.833 184.83 98.3186 230.645 PRESSAVG: 635600 -31.0651 -39.5067 -9.91618 -39.5068 41.4924 74.0866 -9.91621 74.0867 20.295 GPRESSAVG: 635600 -31.2341 -38.7157 -12.348 -37.0914 42.8605 74.5014 -10.0868 73.4348 19.1927 TIMING: 635600 CPU: 2002.64, 0.00316557/step Wall: 2002.64, 0.00316557/step, 3.83772 hours remaining, 236.179688 MB of memory in use. ENERGY: 635600 3941.8250 20444.3746 14494.2673 249.9567 -203205.5950 2915.8527 0.0000 0.0000 51971.5330 -109187.7857 298.6811 -161159.3187 -108832.8483 299.2973 262.0392 297.3568 761387.7275 10.2408 10.2730 PRESSURE: 635800 -43.366 60.9395 130.433 60.9402 14.664 -94.1573 130.432 -94.1583 478.776 GPRESSURE: 635800 81.6243 36.0543 195.142 122.544 5.56404 -130.952 113.607 -18.8183 454.44 PRESSAVG: 635800 10.924 -24.1823 -3.57573 -24.1824 -27.9775 48.6375 -3.57571 48.6375 7.00012 GPRESSAVG: 635800 11.5986 -25.6959 -1.50412 -23.7415 -28.7541 49.5894 -3.5367 49.2294 7.67994 TIMING: 635800 CPU: 2003.27, 0.00313575/step Wall: 2003.27, 0.00313575/step, 3.8014 hours remaining, 236.179688 MB of memory in use. ENERGY: 635800 4003.6997 20346.9811 14484.8839 254.0915 -203403.6340 2825.4653 0.0000 0.0000 52200.2622 -109288.2503 299.9956 -161488.5125 -108918.8974 299.0893 150.0247 180.5429 761067.2370 -3.3511 -3.1585 PRESSURE: 636000 -156.726 105.606 44.4659 105.604 -240.658 -164.637 44.4659 -164.637 -324.056 GPRESSURE: 636000 -20.3985 55.4648 -44.4095 -58.9973 -262.903 -196.96 -42.8984 -104.691 -353.386 PRESSAVG: 636000 -29.8651 -30.8981 5.64847 -30.8982 46.7325 19.9767 5.64839 19.9767 -12.4689 GPRESSAVG: 636000 -31.5112 -29.8081 4.11227 -32.6053 48.8806 20.6364 5.97791 20.8616 -13.1215 TIMING: 636000 CPU: 2003.9, 0.00313335/step Wall: 2003.9, 0.00313335/step, 3.79831 hours remaining, 236.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 636000 4014.9976 20459.0994 14500.1976 246.7734 -202967.8417 2422.7101 0.0000 0.0000 52024.1123 -109299.9513 298.9833 -161324.0636 -108937.1178 299.1859 -240.4799 -212.2291 761906.7029 1.4662 1.4160 PRESSURE: 636200 -317.309 -54.381 -44.8272 -54.3812 -197.962 3.46569 -44.8272 3.4647 235.41 GPRESSURE: 636200 -323.75 -40.3887 -64.0041 -4.93769 -183.998 3.1069 -61.6243 62.8192 307.389 PRESSAVG: 636200 4.99262 -3.06648 21.0811 -3.06642 19.4427 3.79619 21.0811 3.79624 -18.5843 GPRESSAVG: 636200 4.70958 -3.19205 19.8024 -1.91836 19.1939 2.73485 21.2902 1.97729 -18.2518 TIMING: 636200 CPU: 2004.53, 0.00313645/step Wall: 2004.53, 0.00313645/step, 3.8019 hours remaining, 236.179688 MB of memory in use. ENERGY: 636200 4003.0808 20512.8498 14514.4708 257.9492 -202983.1245 2551.6698 0.0000 0.0000 52158.1547 -108984.9492 299.7536 -161143.1040 -108631.6456 299.8852 -93.2868 -66.7866 762577.1932 1.9504 1.8839 LDB: ============= START OF LOAD BALANCING ============== 2016.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2016.98 LDB: =============== DONE WITH MIGRATION ================ 2016.98 LDB: ============= START OF LOAD BALANCING ============== 2017.3 LDB: Largest compute 7073 load 0.034683 is 17.8% of average load 0.195072 LDB: Average compute 0.004382 is 2.2% of average load 0.195072 LDB: TIME 2017.3 LOAD: AVG 0.195072 MAX 0.216057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.297 MB LDB: TIME 2017.3 LOAD: AVG 0.195072 MAX 0.216057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 2017.3 LOAD: AVG 0.195072 MAX 0.216057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 2017.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2017.31 PRESSURE: 636400 -284.984 -85.679 194.811 -85.679 -126.78 -379.242 194.811 -379.242 581.351 GPRESSURE: 636400 -159.263 -58.9494 144.398 -103.362 -69.8125 -335.829 250.909 -255.841 508.714 PRESSAVG: 636400 -32.6774 12.9886 21.1618 12.9887 32.8914 -31.8324 21.1618 -31.8325 22.0484 GPRESSAVG: 636400 -30.9318 13.3416 22.5844 12.8745 31.7317 -31.1341 20.9637 -32.1805 21.5709 TIMING: 636400 CPU: 2005.17, 0.00322725/step Wall: 2005.17, 0.00322725/step, 3.91179 hours remaining, 235.121094 MB of memory in use. ENERGY: 636400 3999.2860 20474.6058 14501.0601 241.7710 -203440.9532 2844.9297 0.0000 0.0000 52061.7904 -109317.5102 299.1998 -161379.3006 -108958.4999 299.3850 56.5291 93.2129 761792.1827 7.4208 7.4569 PRESSURE: 636600 103.821 81.7177 0.920108 81.7177 -13.387 165.032 0.920235 165.032 54.178 GPRESSURE: 636600 71.9223 66.507 9.05273 -19.0172 91.5268 72.0435 -11.1609 40.9797 76.0986 PRESSAVG: 636600 -17.5007 14.9435 34.3203 14.9435 29.2843 14.5666 34.3204 14.5666 -6.8567 GPRESSAVG: 636600 -18.0165 14.6417 33.5071 13.6661 29.6852 14.2706 35.2546 16.1295 -6.94133 TIMING: 636600 CPU: 2005.81, 0.00317618/step Wall: 2005.81, 0.00317618/step, 3.84971 hours remaining, 235.324219 MB of memory in use. ENERGY: 636600 3945.3118 20535.9402 14525.8257 236.2765 -203086.9992 2442.4754 0.0000 0.0000 52169.1806 -109231.9889 299.8170 -161401.1695 -108871.7315 299.5229 48.2040 79.8493 762589.6521 1.6423 1.5758 PRESSURE: 636800 -123.287 -103.302 -83.3812 -103.302 40.4851 68.1434 -83.3812 68.1437 -11.0087 GPRESSURE: 636800 -85.723 0.700612 -0.311477 -152.725 96.9757 13.5356 60.7677 -22.5645 -34.6149 PRESSAVG: 636800 -68.9932 -10.8964 58.2186 -10.8964 59.7322 -40.2075 58.2186 -40.2075 -32.898 GPRESSAVG: 636800 -70.0328 -11.529 60.2034 -10.1212 60.4174 -39.2238 57.5765 -41.7069 -32.6686 TIMING: 636800 CPU: 2006.44, 0.00317976/step Wall: 2006.44, 0.00317976/step, 3.85386 hours remaining, 235.324219 MB of memory in use. ENERGY: 636800 3904.9569 20359.0250 14556.0669 264.0692 -203155.7085 2675.1824 0.0000 0.0000 52119.0838 -109277.3242 299.5291 -161396.4080 -108906.8111 298.9768 -31.2703 -7.7874 762919.1255 -14.0530 -14.0947 PRESSURE: 637000 -98.1207 -182.575 -3.14212 -182.575 -399.714 -27.5656 -3.1418 -27.5641 -355.526 GPRESSURE: 637000 -115.491 -76.6051 -117.416 -227.141 -321.265 -30.2438 41.8605 -80.2036 -338.906 PRESSAVG: 637000 -33.4046 -13.8606 -28.6582 -13.8605 42.4977 2.18191 -28.6582 2.18197 9.20779 GPRESSAVG: 637000 -32.179 -11.7138 -30.9896 -13.7927 42.6454 1.55826 -28.714 4.38533 8.11709 TIMING: 637000 CPU: 2007.07, 0.00316587/step Wall: 2007.07, 0.00316587/step, 3.83686 hours remaining, 235.324219 MB of memory in use. ENERGY: 637000 3989.4796 20468.5089 14516.7111 251.4501 -203024.1650 2344.6420 0.0000 0.0000 51865.3755 -109587.9979 298.0710 -161453.3734 -109236.5686 298.7860 -284.4538 -258.5540 762290.6685 6.1003 6.1945 PRESSURE: 637200 -548.695 -104.491 -2.813 -104.491 64.8828 -99.8527 -2.8116 -99.8536 -211.54 GPRESSURE: 637200 -409.911 -154.59 54.4586 -112.646 -12.089 -110.748 -44.3691 -154.025 -179.42 PRESSAVG: 637200 -12.9093 -32.0758 -24.2111 -32.0758 2.93067 -13.048 -24.2111 -13.048 -0.119982 GPRESSAVG: 637200 -13.2083 -31.4423 -23.8842 -34.2729 1.34197 -12.6155 -24.8291 -14.6827 2.0899 TIMING: 637200 CPU: 2007.71, 0.00317421/step Wall: 2007.71, 0.00317421/step, 3.84679 hours remaining, 235.324219 MB of memory in use. ENERGY: 637200 3918.8107 20539.5749 14514.0141 239.5074 -203356.3216 2533.3493 0.0000 0.0000 51936.2828 -109674.7825 298.4785 -161611.0653 -109316.9678 298.5395 -231.7840 -200.4732 762252.8509 -3.3662 -3.2588 PRESSURE: 637400 -302.95 -97.252 169.151 -97.2523 -40.2288 62.3342 169.151 62.3354 -223.48 GPRESSURE: 637400 -182.871 -29.2669 186.51 -179.569 -40.1524 33.5376 197.625 101.646 -258.934 PRESSAVG: 637400 -62.3549 -30.0565 -17.9163 -30.0565 89.5529 -33.0122 -17.9163 -33.0122 -14.8093 GPRESSAVG: 637400 -60.7996 -30.9548 -16.5564 -28.0576 89.4286 -31.2957 -17.3227 -32.5682 -15.8819 TIMING: 637400 CPU: 2008.35, 0.00318511/step Wall: 2008.35, 0.00318511/step, 3.85982 hours remaining, 235.324219 MB of memory in use. ENERGY: 637400 3959.4515 20246.6814 14554.7140 240.3947 -203361.5954 2609.0508 0.0000 0.0000 51986.8997 -109764.4034 298.7694 -161751.3031 -109398.1439 298.7932 -188.8863 -160.6523 760569.8591 4.1296 4.2490 PRESSURE: 637600 -25.9838 -67.4851 -99.1663 -67.4845 5.31177 -46.3307 -99.1663 -46.3298 107.808 GPRESSURE: 637600 -2.29955 0.393868 -153.152 -84.7124 29.5044 -126.689 -1.86301 18.5883 146.935 PRESSAVG: 637600 -69.9774 20.4238 1.4228 20.4238 57.2773 -36.3272 1.42283 -36.3273 32.4898 GPRESSAVG: 637600 -71.8364 21.7529 2.27643 19.0754 57.9753 -38.5803 0.25636 -36.1754 33.8313 TIMING: 637600 CPU: 2008.98, 0.00315922/step Wall: 2008.98, 0.00315922/step, 3.82827 hours remaining, 235.324219 MB of memory in use. ENERGY: 637600 3996.0311 20202.7245 14550.7158 259.6505 -203327.3653 2516.1079 0.0000 0.0000 51891.6476 -109910.4879 298.2220 -161802.1354 -109535.7724 298.4413 29.0453 58.0465 760634.6978 6.5966 6.6567 PRESSURE: 637800 174.163 -125.694 -124.704 -125.694 -67.0169 -120.514 -124.704 -120.515 101.068 GPRESSURE: 637800 153.566 -121.625 -138.799 -65.6155 -19.7822 -165.812 -47.1134 -201.064 148.353 PRESSAVG: 637800 -30.3707 -50.4202 36.394 -50.4202 31.2249 -51.6218 36.394 -51.6218 5.39942 GPRESSAVG: 637800 -29.7772 -50.9488 36.0883 -47.7616 30.5555 -50.9972 36.662 -52.7244 5.2966 TIMING: 637800 CPU: 2009.61, 0.00315354/step Wall: 2009.61, 0.00315354/step, 3.82122 hours remaining, 235.324219 MB of memory in use. ENERGY: 637800 3954.7759 20470.0810 14527.0879 252.6486 -203846.1280 2695.9451 0.0000 0.0000 51869.3726 -110076.2169 298.0940 -161945.5895 -109710.6029 298.0970 69.4047 94.0458 759015.3751 2.0845 2.0250 PRESSURE: 638000 98.1624 -41.6655 79.234 -41.6645 396.459 -23.3278 79.2347 -23.3274 5.29955 GPRESSURE: 638000 235.97 24.8836 179.036 -28.9565 357.24 -0.463124 46.0035 31.0133 -12.8706 PRESSAVG: 638000 15.7814 -6.40764 -15.3748 -6.40767 35.5453 6.52694 -15.3748 6.52694 -1.61144 GPRESSAVG: 638000 16.1252 -6.30198 -15.9513 -8.34125 36.6166 6.35253 -14.8677 8.57029 -3.27377 TIMING: 638000 CPU: 2010.24, 0.00315377/step Wall: 2010.24, 0.00315377/step, 3.82132 hours remaining, 235.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 638000 3990.0507 20367.3400 14532.4138 256.1598 -203980.7555 3027.3477 0.0000 0.0000 51667.4491 -110139.9944 296.9335 -161807.4435 -109783.8302 297.9349 166.6402 193.4467 759248.4265 16.5717 16.4893 PRESSURE: 638200 322.138 -35.2154 102.784 -35.2155 -277.666 -149.439 102.785 -149.439 36.5846 GPRESSURE: 638200 310.017 -101.884 50.2043 124.943 -174.698 -135.734 27.0419 -227.595 36.397 PRESSAVG: 638200 -57.5995 -41.1831 27.9664 -41.1831 66.5486 -75.3031 27.9664 -75.3031 11.2717 GPRESSAVG: 638200 -58.7675 -40.7591 27.867 -43.0093 66.6877 -77.1245 25.6138 -74.4223 12.0405 TIMING: 638200 CPU: 2010.87, 0.00316923/step Wall: 2010.87, 0.00316923/step, 3.83987 hours remaining, 235.324219 MB of memory in use. ENERGY: 638200 3914.9749 20429.9544 14496.6966 221.2705 -203658.8849 2755.7285 0.0000 0.0000 51887.6633 -109952.5968 298.1991 -161840.2601 -109599.6390 297.6579 27.0190 57.2386 761974.8649 6.7403 6.6536 PRESSURE: 638400 -150.496 75.3506 28.2284 75.3509 -172.753 -134.688 28.2289 -134.687 -152.841 GPRESSURE: 638400 -132.621 54.3405 122.543 -13.808 -170.708 -198.987 9.59601 -94.6199 -67.8883 PRESSAVG: 638400 -57.2405 33.6682 11.4913 33.6682 35.8965 -24.8516 11.4913 -24.8517 -9.11812 GPRESSAVG: 638400 -56.5901 32.5108 11.4891 34.6313 34.7358 -22.1623 13.4184 -27.0538 -9.08497 TIMING: 638400 CPU: 2011.5, 0.0031486/step Wall: 2011.5, 0.0031486/step, 3.8147 hours remaining, 235.324219 MB of memory in use. ENERGY: 638400 3992.2154 20332.5148 14499.9835 243.3143 -203524.4465 2811.3566 0.0000 0.0000 51585.3098 -110059.7521 296.4615 -161645.0619 -109702.6377 297.3512 -158.6968 -123.7390 762525.5164 -10.1540 -10.3131 PRESSURE: 638600 91.7853 67.2943 187.818 67.2939 -264.164 31.5983 187.819 31.598 -11.6975 GPRESSURE: 638600 131.993 -84.2216 137.935 116.214 -207.019 34.2454 130.934 -22.8116 -19.5368 PRESSAVG: 638600 -62.952 33.2307 39.7137 33.2307 35.8804 -31.3895 39.7137 -31.3895 11.187 GPRESSAVG: 638600 -63.941 33.4025 39.8437 33.0318 36.9715 -31.3855 39.6717 -29.6434 10.8707 TIMING: 638600 CPU: 2012.13, 0.00313207/step Wall: 2012.13, 0.00313207/step, 3.7945 hours remaining, 235.324219 MB of memory in use. ENERGY: 638600 4032.3609 20283.2973 14522.0168 237.1530 -203487.0592 2863.3266 0.0000 0.0000 51651.7069 -109897.1978 296.8431 -161548.9046 -109529.5324 297.6971 -61.3586 -31.5211 761915.2674 -5.2949 -5.3663 PRESSURE: 638800 -15.8915 105.966 144.454 105.965 -146.056 19.4094 144.455 19.4082 -243.183 GPRESSURE: 638800 41.8542 32.8669 94.058 -26.3875 -128.923 78.0758 171.09 -27.3052 -234.908 PRESSAVG: 638800 -39.3531 33.3409 -2.84221 33.3408 61.8134 -20.1959 -2.84218 -20.196 -9.62549 GPRESSAVG: 638800 -38.2452 30.3263 -3.47431 34.2151 61.6586 -21.869 -3.62459 -21.2616 -10.5595 TIMING: 638800 CPU: 2012.76, 0.00314364/step Wall: 2012.76, 0.00314364/step, 3.80835 hours remaining, 235.324219 MB of memory in use. ENERGY: 638800 4021.2396 20372.2895 14557.5199 243.8854 -203451.0838 2739.8028 0.0000 0.0000 51851.8383 -109664.5082 297.9932 -161516.3466 -109303.6423 298.0701 -135.0434 -107.3254 760869.0196 4.2782 4.2847 PRESSURE: 639000 -113.275 -42.0242 1.93848 -42.0245 -132.573 12.7531 1.9386 12.752 -205.718 GPRESSURE: 639000 -81.1125 -76.6151 55.3322 -32.9677 -106.199 -35.0916 -80.5245 44.3454 -202.871 PRESSAVG: 639000 -12.8566 -21.0425 49.0417 -21.0425 30.2409 28.0041 49.0417 28.0041 -4.15632 GPRESSAVG: 639000 -13.9453 -17.8992 49.7229 -21.2547 30.3849 27.6764 48.8733 28.8181 -3.13409 TIMING: 639000 CPU: 2013.39, 0.00314489/step Wall: 2013.39, 0.00314489/step, 3.80969 hours remaining, 235.324219 MB of memory in use. ENERGY: 639000 3982.2634 20330.3738 14516.4081 240.5606 -203500.7888 2711.4139 0.0000 0.0000 51790.0365 -109929.7326 297.6381 -161719.7691 -109568.9602 298.0637 -150.5222 -130.0609 762342.9043 4.4093 4.4351 PRESSURE: 639200 -199.642 82.539 21.5043 82.5391 315.981 -54.3818 21.5044 -54.381 -45.1127 GPRESSURE: 639200 -74.9851 -10.6225 78.2277 29.606 248.346 -24.4425 -0.812787 -88.8105 -6.54034 PRESSAVG: 639200 13.9545 -44.2715 48.1572 -44.2715 -5.84341 -5.1142 48.1572 -5.11428 -14.0032 GPRESSAVG: 639200 14.9083 -45.0749 47.8529 -46.0274 -6.87731 -5.28362 48.0891 -4.19952 -13.9152 TIMING: 639200 CPU: 2014.02, 0.0031705/step Wall: 2014.02, 0.0031705/step, 3.84053 hours remaining, 235.324219 MB of memory in use. ENERGY: 639200 3914.5598 20425.5950 14520.0137 244.6297 -203507.2382 2692.3413 0.0000 0.0000 51910.1944 -109799.9043 298.3286 -161710.0987 -109443.2398 297.7430 23.7420 55.6067 760969.7349 -1.9640 -1.9614 PRESSURE: 639400 -138.538 47.2214 92.3722 47.2209 343.45 29.7793 92.3721 29.7805 523.641 GPRESSURE: 639400 -134.473 63.264 74.4144 110.704 321.74 10.4802 -1.04849 27.6246 605.601 PRESSAVG: 639400 -27.6405 19.8021 30.9547 19.8021 -2.30461 -11.6785 30.9547 -11.6785 7.79335 GPRESSAVG: 639400 -26.6871 19.5153 33.6613 22.5628 -1.98118 -11.9118 29.6341 -11.6758 7.10462 TIMING: 639400 CPU: 2014.66, 0.00316828/step Wall: 2014.66, 0.00316828/step, 3.83767 hours remaining, 235.324219 MB of memory in use. ENERGY: 639400 3919.2245 20460.7913 14517.9662 263.3146 -203852.5935 2861.2147 0.0000 0.0000 52032.8259 -109797.2562 299.0334 -161830.0822 -109438.2433 297.9820 242.8509 264.2894 759733.9720 -7.3839 -7.1879 PRESSURE: 639600 -0.503041 -168.648 274.708 -168.648 -218.535 -176.679 274.709 -176.679 398.878 GPRESSURE: 639600 -12.2744 -184.215 348.636 -212.022 -116.488 -85.0923 147.01 -198.767 366.569 PRESSAVG: 639600 -16.1538 -28.4569 -4.91155 -28.4569 53.6235 8.63552 -4.91151 8.63557 15.3223 GPRESSAVG: 639600 -16.4273 -29.5211 -7.77614 -28.5981 54.2003 8.68481 -5.73788 9.62658 14.8949 TIMING: 639600 CPU: 2015.29, 0.00316327/step Wall: 2015.29, 0.00316327/step, 3.83142 hours remaining, 235.324219 MB of memory in use. ENERGY: 639600 3945.2439 20369.6393 14464.9616 239.2647 -203221.8325 2294.3550 0.0000 0.0000 52049.0402 -109859.3278 299.1265 -161908.3680 -109494.6686 297.9213 59.9467 79.2689 760924.3704 17.5973 17.5560 PRESSURE: 639800 -262.764 7.05278 -40.1849 7.05256 -19.9817 -32.0219 -40.1842 -32.0233 -335.276 GPRESSURE: 639800 -252.371 -39.8125 -19.7912 85.5581 41.7364 -38.4307 -34.0116 -48.594 -316.539 PRESSAVG: 639800 -50.138 6.91886 -6.81801 6.91893 61.3085 -2.78632 -6.81797 -2.7863 -10.1799 GPRESSAVG: 639800 -51.3184 8.63312 -6.92169 7.47392 61.2499 -1.2713 -3.69593 -4.27721 -8.82153 TIMING: 639800 CPU: 2015.92, 0.00315167/step Wall: 2015.92, 0.00315167/step, 3.81719 hours remaining, 235.324219 MB of memory in use. ENERGY: 639800 3975.2939 20390.1724 14561.7996 250.0334 -203336.6518 2489.9849 0.0000 0.0000 51730.2427 -109939.1249 297.2944 -161669.3675 -109580.3740 298.1927 -206.0070 -175.7246 761217.8787 0.3302 0.3700 PRESSURE: 640000 -301.113 25.4635 -139.612 25.4627 -225.634 -211.795 -139.611 -211.795 -206.107 GPRESSURE: 640000 -224.995 56.6552 -88.967 99.4739 -258.913 -66.2937 -107.667 -277.477 -170.214 PRESSAVG: 640000 40.9605 -15.966 38.3768 -15.966 -46.1017 0.274883 38.3769 0.274895 -8.57741 GPRESSAVG: 640000 40.9622 -16.8316 40.2584 -15.2043 -46.7057 -1.81864 38.0781 3.22226 -8.07169 TIMING: 640000 CPU: 2016.55, 0.00316212/step Wall: 2016.55, 0.00316212/step, 3.82968 hours remaining, 235.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 640000 3926.6783 20374.1367 14601.2268 243.9211 -203399.0249 2512.4584 0.0000 0.0000 51724.1274 -110016.4764 297.2593 -161740.6038 -109656.9264 297.7435 -244.2843 -218.0405 762758.9676 -4.5728 -4.6051 PRESSURE: 640200 16.6935 -70.0785 104.173 -70.0784 17.8472 26.1666 104.172 26.1664 291.492 GPRESSURE: 640200 16.3624 -28.6882 76.8534 -82.1683 103.454 64.6795 144.652 -21.5619 282.668 PRESSAVG: 640200 -32.149 33.003 3.7383 33.003 46.1963 43.7936 3.73826 43.7936 -16.5266 GPRESSAVG: 640200 -31.2133 33.5134 3.90145 31.136 46.4172 45.0212 3.40657 41.4489 -17.6754 TIMING: 640200 CPU: 2017.18, 0.00316585/step Wall: 2017.18, 0.00316585/step, 3.83402 hours remaining, 235.324219 MB of memory in use. ENERGY: 640200 3852.7869 20427.4247 14582.4013 243.0218 -203515.9085 2650.1611 0.0000 0.0000 51944.5480 -109815.5648 298.5260 -161760.1128 -109451.8270 297.8891 108.6777 134.1614 762578.9481 -0.8264 -0.8238 LDB: ============= START OF LOAD BALANCING ============== 2029.64 LDB: ============== END OF LOAD BALANCING =============== 2029.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2029.64 LDB: ============= START OF LOAD BALANCING ============== 2029.95 LDB: Largest compute 7076 load 0.037226 is 19.1% of average load 0.195052 LDB: Average compute 0.004421 is 2.3% of average load 0.195052 LDB: TIME 2029.95 LOAD: AVG 0.195052 MAX 0.215326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.402 MB LDB: TIME 2029.96 LOAD: AVG 0.195052 MAX 0.215326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: TIME 2029.96 LOAD: AVG 0.195052 MAX 0.215326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: ============== END OF LOAD BALANCING =============== 2029.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2029.96 PRESSURE: 640400 155.351 134.236 83.2031 134.236 15.4012 64.9423 83.2035 64.9417 56.7798 GPRESSURE: 640400 98.8635 51.5371 161.274 53.4437 63.4599 21.7739 -5.15012 -152.189 134.405 PRESSAVG: 640400 -71.9592 2.5002 18.2003 2.50016 49.3518 14.5768 18.2003 14.5768 -3.19153 GPRESSAVG: 640400 -72.9359 0.555237 17.9078 1.88775 49.8814 15.5817 15.8855 11.8682 -2.71844 TIMING: 640400 CPU: 2017.83, 0.00321127/step Wall: 2017.83, 0.00321127/step, 3.88884 hours remaining, 235.097656 MB of memory in use. ENERGY: 640400 3985.8212 20324.8036 14503.2865 269.3430 -203652.9349 2731.5109 0.0000 0.0000 51850.4524 -109987.7173 297.9853 -161838.1697 -109633.7612 297.7745 75.8440 98.9096 759831.3219 -8.5997 -8.5910 PRESSURE: 640600 176.465 -50.6547 31.9207 -50.6542 -347.055 241.033 31.9199 241.033 261.585 GPRESSURE: 640600 157.246 -16.9488 88.6864 -25.4934 -279.417 243.478 32.6248 229.947 297.055 PRESSAVG: 640600 -9.39314 28.4492 1.5318 28.4492 -6.72461 39.3447 1.5319 39.3447 -9.29599 GPRESSAVG: 640600 -8.77608 31.7909 0.71837 29.268 -7.08902 38.9774 4.24011 42.5291 -9.32794 TIMING: 640600 CPU: 2018.46, 0.00316161/step Wall: 2018.46, 0.00316161/step, 3.82853 hours remaining, 235.097656 MB of memory in use. ENERGY: 640600 3876.3755 20403.8469 14459.2102 257.2279 -203209.7245 2482.2348 0.0000 0.0000 51723.0257 -110007.8036 297.2529 -161730.8292 -109645.9930 297.6755 30.3316 58.2947 761729.1319 -8.4712 -8.3977 PRESSURE: 640800 -239.084 -49.4371 13.7277 -49.4359 -618.734 -52.4885 13.7278 -52.4876 78.0126 GPRESSURE: 640800 -196.007 -63.0122 7.60891 21.4566 -609.631 -59.3431 28.0012 -22.646 121.791 PRESSAVG: 640800 20.533 8.73464 -5.21124 8.73467 -20.8672 -7.139 -5.21127 -7.13898 -7.0569 GPRESSAVG: 640800 20.4065 6.53497 -4.55863 9.79358 -20.8151 -6.50088 -7.07027 -9.64531 -7.35847 TIMING: 640800 CPU: 2019.09, 0.00314971/step Wall: 2019.09, 0.00314971/step, 3.81395 hours remaining, 235.097656 MB of memory in use. ENERGY: 640800 3894.5143 20340.9458 14528.1391 249.0053 -203091.2014 2223.6951 0.0000 0.0000 51903.7282 -109951.1737 298.2914 -161854.9018 -109579.7529 297.7889 -259.9350 -227.9491 762691.5934 -2.4637 -2.5890 PRESSURE: 641000 199.712 -71.9036 44.7188 -71.9032 503.26 -55.0836 44.7194 -55.0836 -247.213 GPRESSURE: 641000 145.109 -85.32 68.2861 -121.05 620.338 -122.289 141.006 -97.8813 -199.199 PRESSAVG: 641000 13.2606 -14.4115 -25.9807 -14.4115 -27.1548 1.20256 -25.9807 1.20256 1.77949 GPRESSAVG: 641000 11.6792 -13.9353 -25.2842 -14.8788 -26.7134 -1.25358 -24.3959 3.16815 2.32718 TIMING: 641000 CPU: 2019.72, 0.00317675/step Wall: 2019.72, 0.00317675/step, 3.84652 hours remaining, 235.097656 MB of memory in use. ENERGY: 641000 3966.9213 20451.4189 14477.5407 236.2373 -203626.8013 2958.5490 0.0000 0.0000 51701.2904 -109834.8436 297.1280 -161536.1340 -109469.8608 297.9368 151.9196 188.7493 760302.4702 -4.0382 -4.2357 PRESSURE: 641200 -252.745 -40.616 -356.738 -40.6168 -548.48 224.253 -356.738 224.253 -574.964 GPRESSURE: 641200 -365.333 -12.9407 -341.057 -29.526 -505.871 117.577 -287.376 173.328 -419.582 PRESSAVG: 641200 17.3353 11.765 28.5668 11.765 -29.1002 12.2978 28.5668 12.2979 -16.833 GPRESSAVG: 641200 17.4986 9.96402 29.5195 11.2636 -28.7323 14.4812 25.6589 12.4858 -17.3523 TIMING: 641200 CPU: 2020.36, 0.00318069/step Wall: 2020.36, 0.00318069/step, 3.85111 hours remaining, 235.097656 MB of memory in use. ENERGY: 641200 4057.5117 20452.7702 14473.4995 248.2063 -203458.4898 2512.2906 0.0000 0.0000 51777.8581 -109936.3534 297.5681 -161714.2115 -109590.9197 297.7985 -458.7296 -430.2620 760737.7742 -9.5326 -9.5287 PRESSURE: 641400 110.656 -83.3674 302.669 -83.3672 -236.536 86.3591 302.669 86.3587 -163.593 GPRESSURE: 641400 79.8124 -112.033 267.423 32.645 -90.5943 73.675 384.25 71.4442 -201.835 PRESSAVG: 641400 -7.62143 -12.6698 25.0378 -12.6698 -47.0675 3.8482 25.0378 3.8483 1.06585 GPRESSAVG: 641400 -7.06927 -12.1072 21.875 -11.1616 -47.2926 2.93244 27.0602 0.901084 0.744398 TIMING: 641400 CPU: 2020.99, 0.00317062/step Wall: 2020.99, 0.00317062/step, 3.83874 hours remaining, 235.097656 MB of memory in use. ENERGY: 641400 4001.0620 20340.7537 14504.8296 242.3233 -203764.0695 2792.9030 0.0000 0.0000 51833.3201 -110048.8777 297.8868 -161882.1978 -109694.4858 297.9698 -96.4911 -70.8724 761221.6209 -17.8744 -17.8725 PRESSURE: 641600 139.784 -19.2912 139.117 -19.2924 540.858 -78.0714 139.116 -78.0715 8.95301 GPRESSURE: 641600 143.877 -26.8994 96.5958 -35.9491 580.916 -29.7139 171.03 -14.6947 34.2475 PRESSAVG: 641600 -56.8913 16.9823 37.7687 16.9823 61.2698 1.22964 37.7688 1.22952 2.15879 GPRESSAVG: 641600 -55.5182 17.4055 39.2697 16.3159 59.9171 3.5665 39.1735 4.0368 2.99254 TIMING: 641600 CPU: 2021.63, 0.00317542/step Wall: 2021.63, 0.00317542/step, 3.84437 hours remaining, 235.097656 MB of memory in use. ENERGY: 641600 4023.8906 20493.8362 14464.4164 235.6776 -204022.0132 2899.9451 0.0000 0.0000 51951.2070 -109953.0404 298.5643 -161904.2474 -109599.3186 297.6635 229.8649 253.0135 760072.8708 2.1791 2.4638 PRESSURE: 641800 81.4683 -137.404 256.463 -137.405 169.437 -52.739 256.464 -52.7381 63.503 GPRESSURE: 641800 144.202 -55.8965 263.094 -85.8635 203.14 -52.8882 127.104 -69.9973 77.9889 PRESSAVG: 641800 -21.5282 -21.7835 21.9681 -21.7835 -13.0072 37.9177 21.9681 37.9177 -8.82457 GPRESSAVG: 641800 -21.4623 -21.7014 22.6858 -22.2566 -12.8754 36.6188 18.9555 37.7359 -9.87628 TIMING: 641800 CPU: 2022.26, 0.00316154/step Wall: 2022.26, 0.00316154/step, 3.82739 hours remaining, 235.097656 MB of memory in use. ENERGY: 641800 3995.3178 20349.2581 14478.1029 237.5935 -203578.1359 2868.0964 0.0000 0.0000 51935.8269 -109713.9403 298.4759 -161649.7673 -109357.3504 297.9911 104.8028 141.7771 761402.7727 -14.4533 -14.7380 PRESSURE: 642000 -225.52 71.6085 -113.188 71.6083 -14.6049 188.168 -113.189 188.169 -81.5373 GPRESSURE: 642000 -211.354 82.8376 -149.217 54.22 43.6941 204.381 -30.244 23.8393 -62.1706 PRESSAVG: 642000 -3.69661 -1.16615 60.6359 -1.16617 28.442 53.8285 60.6358 53.8285 24.9101 GPRESSAVG: 642000 -4.35382 -0.382206 59.7826 0.36683 28.9034 52.0068 62.3679 54.0441 24.8996 TIMING: 642000 CPU: 2022.89, 0.00315947/step Wall: 2022.89, 0.00315947/step, 3.82472 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: 642000 3925.8679 20380.6779 14523.1630 232.8614 -203570.3085 2636.6390 0.0000 0.0000 52069.3321 -109801.7672 299.2432 -161871.0992 -109451.4522 298.6738 -107.2207 -76.6103 762487.0004 16.5519 16.4831 PRESSURE: 642200 -185.311 -50.5927 126.218 -50.5923 42.4684 -52.0249 126.218 -52.0256 288.679 GPRESSURE: 642200 -105.498 -216.852 207.555 -48.6027 79.7478 -82.3805 75.6311 -72.1996 261.677 PRESSAVG: 642200 -68.5227 17.5477 25.4589 17.5476 69.5963 46.7586 25.4588 46.7586 1.62587 GPRESSAVG: 642200 -67.3808 16.4603 26.7582 14.4794 69.0645 47.8778 23.5305 45.3255 1.40728 TIMING: 642200 CPU: 2023.53, 0.00315998/step Wall: 2023.53, 0.00315998/step, 3.82516 hours remaining, 235.097656 MB of memory in use. ENERGY: 642200 3918.7797 20501.9244 14534.0350 242.6408 -203715.5848 2706.8519 0.0000 0.0000 52131.5565 -109679.7964 299.6008 -161811.3529 -109318.1702 298.7638 48.6122 78.6423 760738.2198 0.8998 1.0303 PRESSURE: 642400 322.128 149.101 -51.3323 149.101 51.0957 -58.5758 -51.3324 -58.5757 72.9743 GPRESSURE: 642400 287.068 118.903 -99.5454 77.0013 95.9307 -25.2183 35.6011 -37.5063 142.538 PRESSAVG: 642400 -58.3573 -9.74478 -61.6354 -9.74473 27.3387 -4.52602 -61.6354 -4.52595 2.63584 GPRESSAVG: 642400 -60.5528 -9.73256 -62.771 -6.70582 28.536 -3.29177 -58.5565 -3.01748 3.43281 TIMING: 642400 CPU: 2024.16, 0.00316189/step Wall: 2024.16, 0.00316189/step, 3.82729 hours remaining, 235.097656 MB of memory in use. ENERGY: 642400 4004.1757 20436.3940 14487.3686 239.5500 -203846.5720 3023.7901 0.0000 0.0000 51771.5226 -109883.7710 297.5317 -161655.2936 -109526.3093 298.1679 148.7327 175.1790 762091.9078 -9.4609 -9.5280 PRESSURE: 642600 61.301 141.573 -287.996 141.574 -219.476 2.9397 -287.996 2.93986 -66.9965 GPRESSURE: 642600 49.4973 107.488 -275.171 108.007 -143.534 69.0727 -299.113 -91.0011 -55.9547 PRESSAVG: 642600 -12.0357 -26.0683 4.64959 -26.0683 5.97213 39.7097 4.64959 39.7096 1.10255 GPRESSAVG: 642600 -10.6715 -25.251 3.46366 -26.931 4.75447 38.6695 2.94611 39.0648 0.99875 TIMING: 642600 CPU: 2024.79, 0.00316445/step Wall: 2024.79, 0.00316445/step, 3.83021 hours remaining, 235.097656 MB of memory in use. ENERGY: 642600 3930.4948 20477.1553 14589.7161 246.5096 -203657.9713 2711.9712 0.0000 0.0000 51896.7436 -109805.3806 298.2513 -161702.1243 -109442.9623 298.6692 -75.0573 -49.9970 760667.0430 -1.6537 -1.6394 PRESSURE: 642800 241.272 -221.988 79.3162 -221.988 92.4297 -187.636 79.3168 -187.637 188.942 GPRESSURE: 642800 338.373 -20.9864 42.1183 -277.792 118.225 -253.078 -42.101 -210.69 158.182 PRESSAVG: 642800 -28.5052 -2.46193 -11.102 -2.46198 2.17104 -18.4188 -11.102 -18.4188 15.7892 GPRESSAVG: 642800 -28.6209 -2.4403 -12.3373 -2.48445 2.53775 -19.8631 -10.7152 -17.0565 15.5309 TIMING: 642800 CPU: 2025.42, 0.00314881/step Wall: 2025.42, 0.00314881/step, 3.81111 hours remaining, 235.097656 MB of memory in use. ENERGY: 642800 3901.4049 20615.8572 14539.8587 240.8842 -203610.8926 2831.7053 0.0000 0.0000 51592.3714 -109888.8109 296.5021 -161481.1823 -109526.0439 298.4636 174.2147 204.9266 762061.2722 -3.5150 -3.5174 PRESSURE: 643000 -103.663 38.5907 100.999 38.5904 181.46 16.8754 100.999 16.8772 -150.948 GPRESSURE: 643000 -55.7171 155.707 104.849 -15.0712 182.245 62.5575 11.8912 -66.574 -100.781 PRESSAVG: 643000 67.476 -35.4856 60.0208 -35.4856 -50.927 5.88732 60.0208 5.88734 2.36796 GPRESSAVG: 643000 66.9134 -33.6273 61.2961 -36.5917 -50.892 6.37466 59.1087 7.05633 3.26877 TIMING: 643000 CPU: 2026.05, 0.00314648/step Wall: 2026.05, 0.00314648/step, 3.80811 hours remaining, 235.097656 MB of memory in use. ENERGY: 643000 4083.6494 20506.8307 14498.7613 244.7515 -203539.6195 2648.5513 0.0000 0.0000 51816.4638 -109740.6116 297.7899 -161557.0753 -109381.8461 298.5408 -24.3836 8.5824 762708.9792 6.3057 6.4300 PRESSURE: 643200 -133.167 55.8948 -109.531 55.8953 -81.5218 -171.815 -109.531 -171.815 331.226 GPRESSURE: 643200 -17.0935 36.1731 -48.0694 31.6403 -127.805 -68.6043 -272.251 -227.456 324.897 PRESSAVG: 643200 15.881 -54.6069 -21.2814 -54.6069 -14.3714 -2.66943 -21.2815 -2.66937 5.46046 GPRESSAVG: 643200 16.9544 -56.3884 -20.3013 -53.5783 -14.9772 -2.05221 -21.6549 -4.84174 4.92823 TIMING: 643200 CPU: 2026.68, 0.00315314/step Wall: 2026.68, 0.00315314/step, 3.81599 hours remaining, 235.097656 MB of memory in use. ENERGY: 643200 3950.9406 20499.8833 14474.6459 238.9631 -203403.5331 2657.6711 0.0000 0.0000 51818.8188 -109762.6102 297.8035 -161581.4290 -109409.3142 298.1549 38.8457 59.9994 763354.9290 2.3233 2.3018 PRESSURE: 643400 360.831 -126.384 102.498 -126.383 264.009 -53.051 102.497 -53.0503 166.579 GPRESSURE: 643400 318.912 -122.366 73.2144 -95.6893 329.735 -15.8725 117.514 -42.6181 226.693 PRESSAVG: 643400 -26.5043 -43.5026 -13.9657 -43.5025 22.1438 13.8904 -13.9656 13.8905 -3.15326 GPRESSAVG: 643400 -26.551 -43.0352 -15.0161 -43.7351 22.0702 11.9452 -13.5197 16.3737 -3.15473 TIMING: 643400 CPU: 2027.31, 0.00314115/step Wall: 2027.31, 0.00314115/step, 3.80131 hours remaining, 235.097656 MB of memory in use. ENERGY: 643400 4064.7124 20295.5599 14444.7916 264.0175 -203801.9386 2956.4858 0.0000 0.0000 51920.1708 -109856.2005 298.3859 -161776.3713 -109487.0118 297.8605 263.8061 291.7802 762030.1630 -2.5046 -2.5452 PRESSURE: 643600 48.0504 -141.566 6.73012 -141.566 265.056 6.95928 6.72961 6.95895 306.362 GPRESSURE: 643600 80.943 -18.0281 -71.3376 -111.043 266.677 -60.9346 46.5082 -60.171 371.312 PRESSAVG: 643600 -7.10884 -38.1864 22.8722 -38.1864 -32.0012 34.3419 22.8722 34.3418 -1.4577 GPRESSAVG: 643600 -5.31654 -38.1469 22.0225 -36.5375 -32.3134 35.2426 23.4451 33.4704 -2.93025 TIMING: 643600 CPU: 2027.93, 0.00312368/step Wall: 2027.93, 0.00312368/step, 3.78 hours remaining, 235.097656 MB of memory in use. ENERGY: 643600 3986.7329 20363.5878 14513.8249 239.2300 -203815.3004 2784.3292 0.0000 0.0000 51981.3684 -109946.2271 298.7376 -161927.5955 -109589.6826 297.9526 206.4895 239.6439 761146.9831 -13.5226 -13.5201 PRESSURE: 643800 -180.174 77.6228 -2.82611 77.6236 -202.624 -75.1508 -2.82628 -75.1507 221.825 GPRESSURE: 643800 -164.994 85.1232 14.2234 -9.78742 -87.4759 -106.889 8.5182 -76.9586 194.174 PRESSAVG: 643800 -47.109 19.163 -27.7403 19.1631 -7.63019 -23.6811 -27.7402 -23.681 -10.3161 GPRESSAVG: 643800 -49.9515 20.0851 -27.7207 17.7433 -5.67546 -20.8495 -29.4134 -26.1253 -9.53759 TIMING: 643800 CPU: 2028.56, 0.00315234/step Wall: 2028.56, 0.00315234/step, 3.8145 hours remaining, 235.097656 MB of memory in use. ENERGY: 643800 3962.1202 20535.3485 14473.8691 238.6849 -203538.8732 2639.5786 0.0000 0.0000 51848.5612 -109840.7106 297.9744 -161689.2719 -109494.5510 297.9709 -53.6578 -19.4319 760755.1234 -21.6851 -21.7215 PRESSURE: 644000 -260.199 63.3708 -22.9656 63.3705 -211.683 130.406 -22.9661 130.406 6.55421 GPRESSURE: 644000 -208.644 139.425 -81.4446 -33.2006 -165.687 23.2612 33.7802 108.712 14.1986 PRESSAVG: 644000 -2.09816 -33.2275 -25.8305 -33.2275 -7.96812 20.1049 -25.8305 20.105 -0.306741 GPRESSAVG: 644000 -1.0717 -33.8484 -26.8954 -35.0487 -8.70358 17.8441 -24.3684 21.3284 -0.212374 TIMING: 644000 CPU: 2029.19, 0.0031499/step Wall: 2029.19, 0.0031499/step, 3.81138 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: 644000 3855.3044 20440.7594 14476.9729 255.5726 -203579.0262 2740.8349 0.0000 0.0000 51962.8601 -109846.7220 298.6313 -161809.5821 -109488.1599 297.9024 -155.1091 -120.0442 760322.6627 -3.4577 -3.3292 PRESSURE: 644200 129.056 -87.6219 -82.1363 -87.621 117.965 63.604 -82.1363 63.6033 288.084 GPRESSURE: 644200 170.78 -126.674 -75.8163 59.7643 163.048 6.54186 -135.098 87.5939 278.889 PRESSAVG: 644200 52.728 -34.6209 -68.5252 -34.6208 8.9741 -18.8009 -68.5252 -18.801 5.06013 GPRESSAVG: 644200 53.2909 -36.0799 -67.6907 -32.0652 8.53488 -18.2856 -67.2448 -21.1001 4.90746 TIMING: 644200 CPU: 2029.82, 0.0031377/step Wall: 2029.82, 0.0031377/step, 3.79645 hours remaining, 235.097656 MB of memory in use. ENERGY: 644200 3960.9893 20260.1392 14461.5951 258.7955 -203605.4566 2813.9277 0.0000 0.0000 52010.0291 -109839.9807 298.9024 -161850.0098 -109473.9915 298.5096 178.3681 204.2391 761115.2182 22.2541 22.2444 LDB: ============= START OF LOAD BALANCING ============== 2042.27 LDB: ============== END OF LOAD BALANCING =============== 2042.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2042.27 LDB: ============= START OF LOAD BALANCING ============== 2042.59 LDB: Largest compute 7076 load 0.037195 is 19.1% of average load 0.195060 LDB: Average compute 0.004387 is 2.2% of average load 0.195060 LDB: TIME 2042.59 LOAD: AVG 0.19506 MAX 0.212641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.098 MB LDB: TIME 2042.59 LOAD: AVG 0.19506 MAX 0.212641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.098 MB LDB: TIME 2042.59 LOAD: AVG 0.19506 MAX 0.212641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.098 MB LDB: ============== END OF LOAD BALANCING =============== 2042.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2042.6 PRESSURE: 644400 -237.092 60.7673 92.7287 60.7668 -74.2136 53.1351 92.7287 53.1344 109.276 GPRESSURE: 644400 -112.061 42.4151 70.736 20.9645 18.2945 119.369 51.237 43.9445 -15.3298 PRESSAVG: 644400 76.3154 -46.511 -49.8774 -46.511 -47.3041 -26.8599 -49.8774 -26.8599 18.1505 GPRESSAVG: 644400 74.9331 -46.1049 -48.7071 -47.1469 -46.5012 -27.7431 -50.7766 -23.8275 18.3333 TIMING: 644400 CPU: 2030.46, 0.00321292/step Wall: 2030.46, 0.00321292/step, 3.88727 hours remaining, 235.097656 MB of memory in use. ENERGY: 644400 4004.4061 20286.1434 14533.9277 243.8602 -203736.7230 2775.9836 0.0000 0.0000 52231.6047 -109660.7972 300.1758 -161892.4020 -109301.3709 298.4341 -67.3430 -36.3656 760080.9540 15.7206 15.5884 PRESSURE: 644600 108.454 74.6365 144.145 74.6375 -114.678 47.3813 144.145 47.3809 47.7323 GPRESSURE: 644600 109.417 118.592 143.016 3.88391 -1.34614 81.7704 103.673 -59.427 22.2924 PRESSAVG: 644600 -20.9741 -25.8141 2.85153 -25.8141 -4.68053 36.615 2.85155 36.615 11.3633 GPRESSAVG: 644600 -20.0816 -24.6137 2.13359 -25.9167 -6.64587 36.2398 2.75929 34.1408 12.2279 TIMING: 644600 CPU: 2031.1, 0.00316324/step Wall: 2031.1, 0.00316324/step, 3.82699 hours remaining, 235.097656 MB of memory in use. ENERGY: 644600 3884.4626 20455.3294 14505.5733 250.3155 -203458.1373 2806.6267 0.0000 0.0000 51722.6387 -109833.1912 297.2507 -161555.8299 -109476.5188 298.5501 13.8359 43.4542 763087.4144 -4.7638 -4.8332 PRESSURE: 644800 -26.3602 -139.461 -0.382641 -139.461 -244.942 -139.38 -0.382826 -139.38 -7.51365 GPRESSURE: 644800 -8.82763 -140.073 42.7484 -130.38 -200.069 -91.2949 65.3752 157.859 17.5821 PRESSAVG: 644800 5.93767 -11.0582 -31.4991 -11.0582 7.69543 34.5252 -31.4991 34.5252 18.2728 GPRESSAVG: 644800 5.19859 -11.6326 -30.653 -10.4312 9.7862 36.4427 -31.3135 35.4193 17.1249 TIMING: 644800 CPU: 2031.73, 0.00315708/step Wall: 2031.73, 0.00315708/step, 3.81936 hours remaining, 235.097656 MB of memory in use. ENERGY: 644800 4023.5758 20374.2723 14496.4481 244.2998 -203878.0067 3089.8071 0.0000 0.0000 51496.6567 -110152.9469 295.9520 -161649.6036 -109793.1706 297.7997 -92.9387 -63.7715 762619.0337 10.6353 10.7032 PRESSURE: 645000 -44.1143 50.5904 244.391 50.5901 -54.4951 120.375 244.391 120.376 25.6185 GPRESSURE: 645000 -104.974 -34.071 232.783 70.3683 10.4355 59.3183 73.828 175.68 109.176 PRESSAVG: 645000 26.1231 -37.0419 8.73358 -37.0419 -36.1747 44.7923 8.7336 44.7922 -40.7623 GPRESSAVG: 645000 27.4204 -37.6457 7.74095 -38.0129 -37.0802 42.9914 8.51734 46.4796 -41.1619 TIMING: 645000 CPU: 2032.36, 0.00317739/step Wall: 2032.36, 0.00317739/step, 3.84376 hours remaining, 235.300781 MB of memory in use. ENERGY: 645000 3956.7205 20293.5513 14448.0306 244.4315 -203436.2791 2605.7633 0.0000 0.0000 51900.6867 -109987.0953 298.2740 -161887.7819 -109621.3464 297.4903 -24.3303 4.8792 764006.8380 -16.9380 -16.9406 PRESSURE: 645200 27.0163 65.5136 157.265 65.5139 41.6081 -0.75235 157.264 -0.751973 327.355 GPRESSURE: 645200 28.3623 72.312 201.963 79.1184 44.3061 72.197 2.63434 -54.1047 395.843 PRESSAVG: 645200 22.5206 -29.6965 -11.4267 -29.6965 -41.4366 -39.9289 -11.4267 -39.9289 -8.39203 GPRESSAVG: 645200 21.4052 -28.5365 -12.376 -30.5772 -41.3913 -39.5168 -11.4006 -41.3309 -7.05375 TIMING: 645200 CPU: 2033, 0.00316904/step Wall: 2033, 0.00316904/step, 3.83348 hours remaining, 235.300781 MB of memory in use. ENERGY: 645200 3941.5689 20340.3156 14493.9253 256.6936 -204097.9611 3071.0440 0.0000 0.0000 51848.4573 -110145.9565 297.9738 -161994.4137 -109782.9755 297.8280 131.9931 156.1705 763517.7558 -9.1027 -9.0133 PRESSURE: 645400 -110.248 59.9641 29.1773 59.9639 196.221 159.317 29.1761 159.316 111.256 GPRESSURE: 645400 -112.543 86.8826 21.3205 71.6373 191.368 207.07 43.6823 133.025 220.149 PRESSAVG: 645400 -24.2473 -38.4585 -40.8829 -38.4586 23.2172 40.2293 -40.8829 40.2293 -3.37022 GPRESSAVG: 645400 -23.2338 -39.2603 -40.6676 -36.5368 23.1488 39.7632 -40.6046 39.2328 -4.28741 TIMING: 645400 CPU: 2033.63, 0.00316026/step Wall: 2033.63, 0.00316026/step, 3.82269 hours remaining, 235.300781 MB of memory in use. ENERGY: 645400 3952.5491 20329.3196 14392.3243 267.5433 -203506.9732 2715.6753 0.0000 0.0000 51645.7736 -110203.7879 296.8090 -161849.5616 -109848.7931 297.4286 65.7431 99.6582 763337.1100 -1.4668 -1.4574 PRESSURE: 645600 -310.681 -89.3149 -74.0561 -89.3145 -398.08 103.202 -74.0561 103.204 -173.844 GPRESSURE: 645600 -300.43 42.0965 -82.4728 -146.595 -308.641 64.7684 -139.418 205.819 -162.55 PRESSAVG: 645600 25.9565 -41.9545 43.0997 -41.9545 -24.0351 -27.9306 43.0997 -27.9305 6.83308 GPRESSAVG: 645600 26.4189 -40.764 41.6931 -43.5771 -24.3667 -27.2466 42.4189 -27.9704 7.14738 TIMING: 645600 CPU: 2034.26, 0.00317328/step Wall: 2034.26, 0.00317328/step, 3.83826 hours remaining, 235.300781 MB of memory in use. ENERGY: 645600 4000.9076 20259.7965 14488.2145 220.6106 -203199.2281 2447.0900 0.0000 0.0000 51889.3098 -109893.2990 298.2086 -161782.6089 -109525.0709 297.3316 -294.2015 -257.2071 763054.9729 2.9182 3.0665 PRESSURE: 645800 220.514 89.8032 -384.034 89.8032 135.056 71.5371 -384.034 71.5374 342.405 GPRESSURE: 645800 269.058 141.765 -486.493 109.223 153.784 66.1016 -273.862 -42.546 355.095 PRESSAVG: 645800 42.2357 13.8926 -47.1735 13.8926 -35.1072 39.4733 -47.1735 39.4733 8.65709 GPRESSAVG: 645800 42.4586 14.0331 -46.8516 14.8094 -34.2312 38.1985 -44.5955 41.5826 7.72354 TIMING: 645800 CPU: 2034.9, 0.0031755/step Wall: 2034.9, 0.0031755/step, 3.84077 hours remaining, 235.300781 MB of memory in use. ENERGY: 645800 3924.7538 20439.6752 14441.7628 249.8040 -203783.0856 2850.6522 0.0000 0.0000 52073.4827 -109802.9550 299.2670 -161876.4377 -109439.3257 297.9870 232.6585 259.3125 760971.6546 5.2619 5.3170 PRESSURE: 646000 -36.2681 124.481 -13.094 124.48 -88.3 171.612 -13.0949 171.612 400.125 GPRESSURE: 646000 -22.5283 83.1554 46.0421 107.405 -60.2657 69.8972 10.0947 164.369 442.554 PRESSAVG: 646000 -5.47879 0.443259 -21.1746 0.443333 15.1108 -40.1756 -21.1746 -40.1755 24.3893 GPRESSAVG: 646000 -6.66924 0.225143 -17.2044 -0.729418 15.6301 -40.5698 -23.748 -40.8664 24.7665 TIMING: 646000 CPU: 2035.54, 0.00319106/step Wall: 2035.54, 0.00319106/step, 3.85941 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: 646000 3989.5601 20319.0583 14477.3956 239.2418 -203855.5004 3170.5607 0.0000 0.0000 51832.2044 -109827.4795 297.8804 -161659.6839 -109470.0687 298.6868 91.8522 119.9198 762470.6252 11.3404 11.2425 PRESSURE: 646200 0.654445 -136.113 197.84 -136.113 199.898 -34.9178 197.84 -34.9182 -78.1617 GPRESSURE: 646200 64.469 -106.052 255.092 -96.9367 196.186 -70.6756 3.15097 69.1071 -65.8809 PRESSAVG: 646200 -32.9643 -35.8074 -20.4165 -35.8073 24.8207 6.22614 -20.4166 6.22617 -1.95395 GPRESSAVG: 646200 -32.0851 -33.2247 -22.0113 -35.9332 23.7882 7.52397 -21.941 6.58727 -1.60868 TIMING: 646200 CPU: 2036.17, 0.00318023/step Wall: 2036.17, 0.00318023/step, 3.84613 hours remaining, 235.300781 MB of memory in use. ENERGY: 646200 3991.3047 20551.2297 14486.8051 244.5405 -203579.9650 2622.9491 0.0000 0.0000 51916.1867 -109766.9490 298.3630 -161683.1357 -109408.5581 297.5494 40.7970 64.9246 761142.4643 -3.3659 -3.3019 PRESSURE: 646400 -31.1249 88.5933 176.333 88.594 -116.675 163.188 176.332 163.189 -47.2516 GPRESSURE: 646400 43.9458 74.8676 252.995 91.4878 -167.224 204.146 147.607 53.6466 28.3825 PRESSAVG: 646400 14.762 2.37866 -22.4848 2.37867 -19.7012 72.2488 -22.4848 72.2489 -19.8773 GPRESSAVG: 646400 14.8411 0.369553 -21.6098 2.50905 -20.0476 70.6104 -22.3201 72.6603 -19.8209 TIMING: 646400 CPU: 2036.81, 0.00318364/step Wall: 2036.81, 0.00318364/step, 3.85009 hours remaining, 235.300781 MB of memory in use. ENERGY: 646400 3958.4659 20413.4668 14468.3977 231.4282 -203186.7625 2450.3575 0.0000 0.0000 52015.9611 -109648.6855 298.9364 -161664.6465 -109291.0613 298.7250 -65.0173 -31.6317 761921.3592 -8.2722 -8.3425 PRESSURE: 646600 -56.6894 -168.025 25.0696 -168.025 0.0994361 106 25.0692 106 51.263 GPRESSURE: 646600 -78.3594 -162.369 3.09876 -94.8516 171.698 90.6677 169.706 143.296 4.3623 PRESSAVG: 646600 29.1948 20.1513 49.3411 20.1513 -58.8688 48.3554 49.3411 48.3554 5.6337 GPRESSAVG: 646600 28.0334 19.9792 49.432 23.2663 -57.5313 50.4411 49.3123 49.4003 5.32012 TIMING: 646600 CPU: 2037.44, 0.00316663/step Wall: 2037.44, 0.00316663/step, 3.82934 hours remaining, 235.300781 MB of memory in use. ENERGY: 646600 4103.1303 20541.6428 14483.0161 230.3516 -203678.5625 2773.4609 0.0000 0.0000 51826.2632 -109720.6977 297.8462 -161546.9609 -109367.3473 298.6733 -1.7757 32.5669 761218.0689 -8.0134 -8.0593 PRESSURE: 646800 0.0225024 77.5902 228.955 77.5908 228.656 47.182 228.954 47.1815 -72.052 GPRESSURE: 646800 53.6667 10.3056 121.73 47.7267 136.279 39.3776 165.705 68.7536 48.9595 PRESSAVG: 646800 29.252 -6.93765 -11.0711 -6.93766 -13.2331 24.3972 -11.0712 24.3972 -29.0878 GPRESSAVG: 646800 29.3535 -8.86405 -12.0057 -9.59473 -13.7836 23.4955 -9.84475 22.173 -29.0034 TIMING: 646800 CPU: 2038.08, 0.00317207/step Wall: 2038.08, 0.00317207/step, 3.83574 hours remaining, 235.300781 MB of memory in use. ENERGY: 646800 3997.2682 20653.4470 14527.0064 239.4654 -203034.2180 2423.5101 0.0000 0.0000 51567.7374 -109625.7836 296.3605 -161193.5210 -109274.4859 298.3204 52.2089 79.6351 761978.2390 -4.3563 -4.4778 PRESSURE: 647000 308.449 -85.015 59.1075 -85.0152 264.029 28.7384 59.1073 28.7379 81.8571 GPRESSURE: 647000 356.935 -48.3002 91.474 7.63052 261.369 -8.38724 61.2168 50.2187 132.357 PRESSAVG: 647000 1.98127 -19.0793 49.1844 -19.0794 10.6594 48.1894 49.1844 48.1894 11.0145 GPRESSAVG: 647000 2.05801 -17.9838 49.6373 -18.3448 10.1379 47.9639 48.421 47.2378 11.8798 TIMING: 647000 CPU: 2038.71, 0.00318114/step Wall: 2038.71, 0.00318114/step, 3.84653 hours remaining, 235.300781 MB of memory in use. ENERGY: 647000 3891.9308 20566.8897 14520.4690 245.8502 -203155.3854 2517.5979 0.0000 0.0000 51882.1265 -109530.5212 298.1673 -161412.6477 -109162.0219 298.4194 218.1118 250.2202 759940.5566 7.8851 8.0252 PRESSURE: 647200 66.9581 1.08128 -54.886 1.08196 66.165 -46.7592 -54.8864 -46.7579 326.67 GPRESSURE: 647200 85.7793 -98.4578 -4.51693 -105.981 102.561 -80.9688 -113.62 -56.2429 368.781 PRESSAVG: 647200 -24.035 -10.8435 15.6057 -10.8434 5.86403 23.8742 15.6057 23.8743 -12.5026 GPRESSAVG: 647200 -24.08 -9.80748 15.5501 -12.7211 6.54747 23.7844 16.5714 25.378 -13.7323 TIMING: 647200 CPU: 2039.35, 0.00316367/step Wall: 2039.35, 0.00316367/step, 3.82522 hours remaining, 235.300781 MB of memory in use. ENERGY: 647200 3924.6231 20587.5124 14563.8855 238.5212 -203032.3363 2507.9405 0.0000 0.0000 51837.2680 -109372.5856 297.9095 -161209.8536 -109013.2749 298.9656 153.2642 185.7070 761554.0766 -10.2245 -10.4216 PRESSURE: 647400 38.381 -166.167 -57.8637 -166.167 -44.0137 -338.87 -57.8631 -338.869 512.594 GPRESSURE: 647400 141.111 -117.794 -67.2032 -47.9926 -13.2775 -267.941 2.07809 -380.547 455.675 PRESSAVG: 647400 4.68452 -9.10119 18.3997 -9.10123 2.95301 -7.81022 18.3997 -7.81015 22.0594 GPRESSAVG: 647400 4.80167 -9.16228 19.1094 -8.38812 2.23937 -7.34372 16.7896 -7.65847 22.7171 TIMING: 647400 CPU: 2039.98, 0.00316006/step Wall: 2039.98, 0.00316006/step, 3.82068 hours remaining, 235.300781 MB of memory in use. ENERGY: 647400 3922.3531 20574.5353 14504.3289 270.0066 -203456.0140 2915.0851 0.0000 0.0000 52003.0437 -109266.6613 298.8622 -161269.7051 -108901.4592 298.8407 168.9871 194.5028 761824.0283 9.8990 9.9194 PRESSURE: 647600 323.313 -103.303 20.0442 -103.303 133.226 325.284 20.0446 325.284 73.7489 GPRESSURE: 647600 338.262 -296.887 -15.9112 -144.432 199.872 331.695 84.24 282.015 81.6961 PRESSAVG: 647600 8.3821 42.2509 -4.59222 42.2509 -12.5902 -24.3262 -4.59235 -24.3262 10.6019 GPRESSAVG: 647600 7.60883 41.4909 -7.53789 41.645 -12.1572 -25.6335 -1.33207 -25.3809 11.2393 TIMING: 647600 CPU: 2040.61, 0.0031669/step Wall: 2040.61, 0.0031669/step, 3.82878 hours remaining, 235.300781 MB of memory in use. ENERGY: 647600 3969.3484 20296.7740 14579.1684 256.7428 -203652.8975 2896.0750 0.0000 0.0000 52295.0276 -109359.7613 300.5402 -161654.7889 -108996.4615 298.7872 176.7626 206.6100 760777.6725 2.1313 2.2303 PRESSURE: 647800 103.783 -135.954 101.251 -135.953 -52.0455 -71.0967 101.252 -71.097 74.6303 GPRESSURE: 647800 14.8071 -97.6395 152.673 -163.116 83.6416 -157.647 25.8404 -20.0856 120.703 PRESSAVG: 647800 21.3039 -15.4535 11.8517 -15.4535 -13.2415 18.459 11.8517 18.459 -7.65973 GPRESSAVG: 647800 20.7615 -15.4018 12.7366 -14.0573 -12.6966 20.2154 10.4875 17.9957 -7.99516 TIMING: 647800 CPU: 2041.24, 0.00316371/step Wall: 2041.24, 0.00316371/step, 3.82475 hours remaining, 235.300781 MB of memory in use. ENERGY: 647800 3970.2243 20597.7925 14546.2610 251.6133 -202957.1663 2383.8298 0.0000 0.0000 51786.0724 -109421.3731 297.6153 -161207.4454 -109064.7399 298.6680 42.1226 73.0506 761411.4222 0.1342 0.0232 PRESSURE: 648000 -252.308 -129.22 73.1695 -129.22 -211.119 149.15 73.1689 149.15 -161.541 GPRESSURE: 648000 -189.309 -67.638 183.089 -235.755 -166.13 114.45 34.5011 279.114 -178.303 PRESSAVG: 648000 -6.28601 -18.8388 -3.97255 -18.8388 11.4138 6.79545 -3.97256 6.79542 6.38587 GPRESSAVG: 648000 -5.61964 -18.8222 -2.95511 -18.0626 10.9002 5.85207 -3.5848 7.49358 5.84305 TIMING: 648000 CPU: 2041.87, 0.00314085/step Wall: 2041.87, 0.00314085/step, 3.79694 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: 648000 4020.3280 20314.4916 14482.3794 250.1799 -203217.0700 2652.7248 0.0000 0.0000 52139.9679 -109356.9984 299.6491 -161496.9663 -108992.6825 298.9896 -208.3225 -177.9142 761573.0720 3.8379 3.7079 PRESSURE: 648200 -26.9286 139.271 -147.107 139.271 -111.435 -265.363 -147.107 -265.363 -124.665 GPRESSURE: 648200 -0.668181 67.8803 -203.015 108.69 -87.8604 -282.895 -242.482 -298.256 -82.7495 PRESSAVG: 648200 -52.5871 -27.5985 -6.98961 -27.5985 43.6932 26.7932 -6.98962 26.7931 -34.1698 GPRESSAVG: 648200 -53.407 -28.8336 -8.3001 -28.5879 44.1916 27.1507 -7.55385 25.1226 -33.6445 TIMING: 648200 CPU: 2042.5, 0.00314986/step Wall: 2042.5, 0.00314986/step, 3.80766 hours remaining, 235.300781 MB of memory in use. ENERGY: 648200 3921.6105 20424.3326 14457.9757 223.9153 -202701.7145 2486.5761 0.0000 0.0000 51893.9276 -109293.3767 298.2351 -161187.3043 -108945.1171 298.5260 -87.6764 -57.0927 763494.3712 -14.3546 -14.2866 LDB: ============= START OF LOAD BALANCING ============== 2054.96 LDB: ============== END OF LOAD BALANCING =============== 2054.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2054.96 LDB: ============= START OF LOAD BALANCING ============== 2055.27 LDB: Largest compute 7076 load 0.035419 is 18.2% of average load 0.195083 LDB: Average compute 0.004383 is 2.2% of average load 0.195083 LDB: TIME 2055.28 LOAD: AVG 0.195083 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 2055.28 LOAD: AVG 0.195083 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: TIME 2055.28 LOAD: AVG 0.195083 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: ============== END OF LOAD BALANCING =============== 2055.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2055.28 PRESSURE: 648400 -289.415 -112.805 -14.4343 -112.805 -76.6069 -60.7155 -14.4348 -60.7154 -149.638 GPRESSURE: 648400 -311.869 -97.5156 -1.94342 -113.197 -90.1045 56.2283 8.3313 -95.9736 -26.193 PRESSAVG: 648400 -13.8546 -12.3507 -0.620582 -12.3506 -0.773302 -5.79854 -0.620595 -5.79854 17.107 GPRESSAVG: 648400 -13.8104 -11.8507 1.54924 -10.62 -1.48855 -6.44639 -1.36787 -4.76291 17.3487 TIMING: 648400 CPU: 2043.15, 0.00322733/step Wall: 2043.15, 0.00322733/step, 3.90112 hours remaining, 237.351562 MB of memory in use. ENERGY: 648400 3952.2230 20292.2826 14441.8093 228.8702 -202795.2952 2388.3307 0.0000 0.0000 52125.4845 -109366.2949 299.5659 -161491.7793 -108993.6466 299.1122 -171.8867 -142.7222 762594.7578 0.8264 0.6833 PRESSURE: 648600 61.0147 9.79463 -177.175 9.7947 98.0983 7.54064 -177.176 7.54087 162.995 GPRESSURE: 648600 89.3531 65.4562 -168.055 -37.1791 175.616 94.8719 -235.397 -44.3431 127.563 PRESSAVG: 648600 -35.5949 35.5566 -12.2643 35.5565 29.1666 25.0586 -12.2644 25.0586 12.4993 GPRESSAVG: 648600 -34.5785 35.7977 -13.3762 33.5289 29.1124 24.9435 -11.1323 25.6834 11.9719 TIMING: 648600 CPU: 2043.78, 0.00315578/step Wall: 2043.78, 0.00315578/step, 3.81446 hours remaining, 237.550781 MB of memory in use. ENERGY: 648600 3898.1063 20587.7014 14445.4143 253.0181 -203009.1225 2518.4155 0.0000 0.0000 51766.9778 -109539.4891 297.5055 -161306.4669 -109186.7253 298.8108 107.3692 130.8438 761166.8885 2.0237 2.1686 PRESSURE: 648800 85.5382 53.6012 33.0565 53.6019 -12.3244 -100.957 33.0566 -100.958 57.4934 GPRESSURE: 648800 76.2572 220.877 -6.70731 -48.4594 68.5799 -150.18 68.1543 -5.29426 75.72 PRESSAVG: 648800 -23.1107 4.92224 -24.9921 4.92224 46.8877 31.0883 -24.9921 31.0882 -2.13501 GPRESSAVG: 648800 -23.3676 5.91438 -24.8436 5.56687 47.7299 30.7873 -25.6385 33.1944 -2.5439 TIMING: 648800 CPU: 2044.41, 0.00316297/step Wall: 2044.41, 0.00316297/step, 3.82298 hours remaining, 237.550781 MB of memory in use. ENERGY: 648800 3919.2235 20167.7796 14551.2990 271.0329 -203220.0579 2659.0960 0.0000 0.0000 52287.1518 -109364.4750 300.4950 -161651.6268 -108997.2713 298.7191 43.5691 73.5190 762310.3161 7.2140 7.2728 PRESSURE: 649000 90.8576 -67.8348 37.6485 -67.8344 -218.964 -113.527 37.6486 -113.527 159.884 GPRESSURE: 649000 185.14 -110.119 50.0898 -60.4512 -193.974 -9.14908 -0.955304 -85.3094 154.778 PRESSAVG: 649000 28.1132 -62.7107 14.5072 -62.7107 -3.7487 61.1593 14.5073 61.1593 13.0361 GPRESSAVG: 649000 28.6338 -63.1632 13.0438 -62.9244 -3.40799 64.1231 15.0278 58.1628 12.6284 TIMING: 649000 CPU: 2045.05, 0.00316444/step Wall: 2045.05, 0.00316444/step, 3.82457 hours remaining, 237.550781 MB of memory in use. ENERGY: 649000 4005.1936 20493.6170 14511.6971 231.7248 -203129.1866 2659.0716 0.0000 0.0000 51873.5300 -109354.3526 298.1179 -161227.8826 -108995.7151 299.0459 10.5923 48.6478 763747.7143 12.4669 12.6180 PRESSURE: 649200 -118.96 27.8087 -20.0085 27.8084 -112.36 -17.4844 -20.0079 -17.4845 227.949 GPRESSURE: 649200 -71.3199 136.505 21.3294 -97.9386 -111.479 5.56543 24.2292 39.5067 258.859 PRESSAVG: 649200 -15.4281 -28.0099 3.27107 -28.0099 0.434026 1.60122 3.27111 1.60115 -10.5752 GPRESSAVG: 649200 -15.0978 -28.0544 4.10728 -28.4428 -0.330699 0.639427 1.15944 2.36762 -10.0904 TIMING: 649200 CPU: 2045.68, 0.00315661/step Wall: 2045.68, 0.00315661/step, 3.81493 hours remaining, 237.550781 MB of memory in use. ENERGY: 649200 3982.8354 20654.6288 14486.3309 265.2291 -203079.9814 2644.8389 0.0000 0.0000 51682.6124 -109363.5059 297.0207 -161046.1184 -109004.9159 299.1491 -1.1235 25.3536 762722.4454 -8.5231 -8.5063 PRESSURE: 649400 -61.5781 -100.868 94.7184 -100.87 -355.242 -30.984 94.7176 -30.9838 271.819 GPRESSURE: 649400 11.8678 -125.765 84.7437 -137.568 -332.828 -72.9331 50.4864 -47.0613 249.757 PRESSAVG: 649400 16.3448 -18.1444 19.9097 -18.1443 2.9116 -12.4481 19.9097 -12.4481 31.5155 GPRESSAVG: 649400 16.0682 -18.3707 19.89 -16.6113 3.16393 -12.8377 20.7765 -12.6539 31.7183 TIMING: 649400 CPU: 2046.31, 0.00317424/step Wall: 2046.31, 0.00317424/step, 3.83606 hours remaining, 237.550781 MB of memory in use. ENERGY: 649400 3888.2074 20660.0646 14453.0473 244.8116 -203185.0101 2596.3050 0.0000 0.0000 51878.6328 -109463.9414 298.1472 -161342.5742 -109105.3079 298.5049 -48.3335 -23.7345 762479.3638 16.9240 16.9835 PRESSURE: 649600 38.9432 40.1691 126.41 40.1696 -164.822 81.87 126.409 81.8702 -86.3865 GPRESSURE: 649600 46.2408 -26.4652 162.899 -14.6031 19.6532 148.012 199.985 69.9346 -181.02 PRESSAVG: 649600 -22.3172 -67.3188 5.28871 -67.3188 0.0153655 55.5985 5.28874 55.5986 -11.5096 GPRESSAVG: 649600 -23.0376 -69.4924 5.29375 -68.9224 1.35497 56.2133 8.31619 55.4645 -12.2411 TIMING: 649600 CPU: 2046.95, 0.00317129/step Wall: 2046.95, 0.00317129/step, 3.83233 hours remaining, 237.550781 MB of memory in use. ENERGY: 649600 4052.1831 20487.4094 14470.1185 263.9653 -203544.1801 2719.1902 0.0000 0.0000 52124.2742 -109427.0394 299.5589 -161551.3136 -109069.0653 299.1526 -70.7552 -38.3753 761519.9267 -11.2705 -11.3079 PRESSURE: 649800 -33.7373 104.588 41.2667 104.589 -240.254 -63.4709 41.2662 -63.4708 -221.431 GPRESSURE: 649800 46.8341 27.912 21.4463 99.8297 -294.232 -69.2244 -64.6581 55.4933 -141.946 PRESSAVG: 649800 -30.7389 -53.2846 -12.7223 -53.2847 12.7318 32.2348 -12.7223 32.2347 -25.3128 GPRESSAVG: 649800 -31.1399 -51.9553 -12.3961 -52.4741 11.9471 31.2995 -13.6543 31.4775 -23.8219 TIMING: 649800 CPU: 2047.58, 0.003169/step Wall: 2047.58, 0.003169/step, 3.82939 hours remaining, 237.550781 MB of memory in use. ENERGY: 649800 3929.6942 20641.6735 14524.0098 262.5538 -203218.0966 2668.6421 0.0000 0.0000 51821.4033 -109370.1201 297.8183 -161191.5234 -109010.6643 298.7428 -165.1408 -129.7813 762574.6308 -14.4400 -14.3382 PRESSURE: 650000 -594.982 -121.881 103.56 -121.881 -18.5562 79.9927 103.561 79.9921 -393.913 GPRESSURE: 650000 -464.552 -38.4011 157.267 -189.565 7.56249 45.8068 -91.8195 37.0655 -465.001 PRESSAVG: 650000 -49.9784 10.7573 -18.8539 10.7572 65.0562 31.8173 -18.8539 31.8173 14.4812 GPRESSAVG: 650000 -50.3799 11.1213 -18.799 9.78718 65.5939 33.3614 -20.8142 32.0786 14.0875 TIMING: 650000 CPU: 2048.21, 0.0031326/step Wall: 2048.21, 0.0031326/step, 3.78523 hours remaining, 237.550781 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: 650000 4074.4105 20514.5007 14482.0196 238.0139 -202998.5686 2395.8051 0.0000 0.0000 51939.2035 -109354.6154 298.4953 -161293.8188 -108991.1789 298.9652 -335.8170 -307.3302 763465.3885 9.8530 9.7672 PRESSURE: 650200 41.2938 -209.361 -84.488 -209.361 -202.725 -64.6392 -84.4884 -64.6395 -49.308 GPRESSURE: 650200 65.9648 -117.527 -36.3369 -252.42 -163.585 117.804 -94.6637 -102.415 -42.4109 PRESSAVG: 650200 -48.8517 -4.8578 -11.0594 -4.85783 68.9235 -9.57218 -11.0595 -9.57214 12.8896 GPRESSAVG: 650200 -47.3231 -4.13626 -11.7196 -6.88909 67.2716 -11.4693 -9.6788 -9.93846 13.0985 TIMING: 650200 CPU: 2048.83, 0.00313278/step Wall: 2048.83, 0.00313278/step, 3.78527 hours remaining, 237.550781 MB of memory in use. ENERGY: 650200 3941.8490 20518.0206 14488.5480 224.2952 -203307.8795 2696.3938 0.0000 0.0000 51886.9378 -109551.8351 298.1949 -161438.7729 -109195.5354 299.1398 -70.2462 -46.6771 762648.6378 10.9871 11.0157 PRESSURE: 650400 -300.671 -37.9699 -135.335 -37.9704 -79.8597 97.1001 -135.334 97.1012 -136.426 GPRESSURE: 650400 -396.269 -151.694 -103.883 -141.761 69.0227 93.3241 -161.918 127.273 -101.055 PRESSAVG: 650400 -79.7013 -85.1493 -47.7272 -85.1493 60.4383 25.3587 -47.7272 25.3587 -4.77434 GPRESSAVG: 650400 -80.9303 -86.3125 -46.7771 -82.2117 62.4845 26.1739 -48.4453 24.9503 -5.14687 TIMING: 650400 CPU: 2049.46, 0.0031537/step Wall: 2049.46, 0.0031537/step, 3.81037 hours remaining, 237.550781 MB of memory in use. ENERGY: 650400 3983.3646 20480.9133 14405.2031 238.6393 -203136.7928 2664.2042 0.0000 0.0000 52063.2990 -109301.1693 299.2085 -161364.4684 -108930.5599 298.9867 -172.3189 -142.7670 762896.2403 -8.0125 -7.8643 PRESSURE: 650600 -185.735 -6.13725 -26.9223 -6.13739 -258.521 330.345 -26.9228 330.345 -33.8947 GPRESSURE: 650600 -83.0942 -37.0429 -25.7156 124.149 -299.636 298.514 -9.81172 300.188 29.7852 PRESSAVG: 650600 -58.4324 -26.7175 -64.7995 -26.7176 123.18 36.8842 -64.7995 36.8841 17.3669 GPRESSAVG: 650600 -58.4813 -27.2288 -65.9238 -26.9498 121.904 36.3675 -64.0171 36.952 18.3736 TIMING: 650600 CPU: 2050.09, 0.00315171/step Wall: 2050.09, 0.00315171/step, 3.80779 hours remaining, 237.550781 MB of memory in use. ENERGY: 650600 3931.1107 20354.6295 14524.2872 255.1596 -202702.0744 2381.2765 0.0000 0.0000 51959.2930 -109296.3178 298.6108 -161255.6109 -108932.7922 299.5405 -159.3833 -117.6484 763365.6048 27.3716 27.2655 PRESSURE: 650800 -300.669 84.6395 0.059672 84.6391 -119.638 -129.896 0.0598622 -129.896 -15.1867 GPRESSURE: 650800 -186.179 103.354 -83.9837 92.7943 -97.6672 -50.0011 -62.8737 -69.7644 -49.3758 PRESSAVG: 650800 -130.823 -5.11978 -14.9017 -5.11982 127.61 -10.9121 -14.9018 -10.9122 -0.355289 GPRESSAVG: 650800 -130.971 -5.01931 -14.2431 -2.9299 128.087 -11.0827 -15.325 -10.8671 -1.19454 TIMING: 650800 CPU: 2050.73, 0.0031619/step Wall: 2050.73, 0.0031619/step, 3.81992 hours remaining, 237.550781 MB of memory in use. ENERGY: 650800 4007.3769 20467.8668 14521.9744 256.6668 -203438.8437 2570.5612 0.0000 0.0000 52240.4616 -109373.9362 300.2267 -161614.3978 -109017.2684 299.4774 -145.1644 -111.0739 762261.5901 -1.1896 -1.3596 PRESSURE: 651000 350.556 -61.8292 116.997 -61.8292 263.275 -30.9412 116.998 -30.9413 526.817 GPRESSURE: 651000 316.663 -34.9709 106.23 -0.202744 380.371 -70.4919 90.0894 -10.7592 534.224 PRESSAVG: 651000 -29.6272 -33.6841 59.8703 -33.6841 37.2346 -40.1099 59.8703 -40.1099 -6.40636 GPRESSAVG: 651000 -29.4658 -31.4856 60.2788 -35.3467 36.7355 -40.8608 58.3413 -38.2587 -6.44559 TIMING: 651000 CPU: 2051.36, 0.00316252/step Wall: 2051.36, 0.00316252/step, 3.8205 hours remaining, 237.550781 MB of memory in use. ENERGY: 651000 3975.8879 20418.1737 14508.9915 253.2270 -203624.3930 2999.2005 0.0000 0.0000 52087.7764 -109381.1361 299.3492 -161468.9125 -109029.8871 299.3623 380.2162 410.4192 762024.7696 0.4004 0.2747 PRESSURE: 651200 -93.6209 183.631 -2.12534 183.632 34.5513 -17.3358 -2.12462 -17.3359 30.4382 GPRESSURE: 651200 -94.4234 196.866 -86.8401 137.597 90.5191 -18.5111 -134.945 -92.0528 77.4348 PRESSAVG: 651200 -39.5091 -25.5901 36.2273 -25.5901 53.617 19.7638 36.2273 19.7638 0.201616 GPRESSAVG: 651200 -39.5948 -26.1297 35.4297 -26.4964 53.9508 20.1137 36.7608 17.5191 0.0883285 TIMING: 651200 CPU: 2051.99, 0.00315034/step Wall: 2051.99, 0.00315034/step, 3.80561 hours remaining, 237.550781 MB of memory in use. ENERGY: 651200 3945.1973 20375.5050 14442.5588 229.2789 -203322.0437 2635.0962 0.0000 0.0000 52098.5706 -109595.8369 299.4112 -161694.4074 -109227.2771 298.8681 -9.5438 24.5101 762290.9610 4.7699 4.8148 PRESSURE: 651400 205.916 -96.9207 5.36582 -96.9208 107.856 -7.18703 5.36539 -7.1867 114.279 GPRESSURE: 651400 243.899 -175.44 35.379 -1.6915 86.7957 -63.0553 -50.315 128.85 173.543 PRESSAVG: 651400 -53.4126 -64.7276 -5.99517 -64.7277 45.7938 -17.8425 -5.99517 -17.8426 18.2537 GPRESSAVG: 651400 -54.3466 -64.8786 -5.71766 -62.9935 45.9639 -17.2699 -4.55562 -18.6174 18.8868 TIMING: 651400 CPU: 2052.62, 0.00315579/step Wall: 2052.62, 0.00315579/step, 3.81202 hours remaining, 237.550781 MB of memory in use. ENERGY: 651400 3982.9205 20384.4039 14472.7326 220.1033 -203271.4670 2611.1650 0.0000 0.0000 52043.7166 -109556.4251 299.0960 -161600.1417 -109200.3010 298.9491 142.6840 168.0791 760786.8007 3.5450 3.5014 PRESSURE: 651600 240.818 -79.8082 173.35 -79.8079 95.2533 -15.6426 173.349 -15.6432 94.4095 GPRESSURE: 651600 397.755 -82.983 193.203 40.7661 118.856 -27.4066 200.443 5.2134 15.8103 PRESSAVG: 651600 -5.56758 -35.4215 23.9817 -35.4214 5.3671 48.6522 23.9817 48.6522 7.32955 GPRESSAVG: 651600 -4.88025 -36.832 24.5225 -36.4904 5.83966 48.786 24.945 49.9568 6.00021 TIMING: 651600 CPU: 2053.25, 0.00315739/step Wall: 2053.25, 0.00315739/step, 3.81377 hours remaining, 237.550781 MB of memory in use. ENERGY: 651600 3948.4414 20621.0757 14404.5013 244.6611 -203295.1902 2613.3696 0.0000 0.0000 51910.9075 -109552.2335 298.3327 -161463.1410 -109187.7575 298.8243 143.4935 177.4735 760999.2376 2.3764 2.3199 PRESSURE: 651800 -118.558 -279.393 232.48 -279.392 -231.315 -44.0004 232.481 -43.9989 233.001 GPRESSURE: 651800 -92.8981 -221.434 137.16 -238.725 -197.59 46.2202 178.827 -77.1207 260.401 PRESSAVG: 651800 -3.16037 -18.1954 25.4933 -18.1955 -1.63775 30.248 25.4933 30.248 7.81515 GPRESSAVG: 651800 -3.74348 -15.7481 25.8402 -17.0836 -2.69043 29.5394 24.022 30.7748 9.37992 TIMING: 651800 CPU: 2053.88, 0.00316162/step Wall: 2053.88, 0.00316162/step, 3.81871 hours remaining, 237.550781 MB of memory in use. ENERGY: 651800 3929.9982 20495.6511 14574.2793 273.9516 -203010.5884 2417.3533 0.0000 0.0000 51930.8744 -109388.4805 298.4474 -161319.3549 -109029.7901 298.9838 -38.9573 -10.0290 761608.2551 1.0057 0.9820 PRESSURE: 652000 -57.2009 42.5195 -57.346 42.5205 242.776 -140.391 -57.3459 -140.392 562.069 GPRESSURE: 652000 -56.4712 -37.3057 -146.174 102.158 310.581 -201.89 101.134 -106.461 572.798 PRESSAVG: 652000 -16.9624 -34.3582 9.82461 -34.3583 -3.36776 -9.08775 9.82469 -9.08782 36.1853 GPRESSAVG: 652000 -15.1571 -36.5253 9.374 -34.9353 -2.64882 -7.94032 9.31202 -9.94071 34.4563 TIMING: 652000 CPU: 2054.51, 0.00315125/step Wall: 2054.51, 0.00315125/step, 3.80601 hours remaining, 237.550781 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: 652000 3833.9996 20481.1734 14493.2730 249.8558 -203222.1933 2704.3398 0.0000 0.0000 51941.6198 -109517.9319 298.5092 -161459.5517 -109152.7473 299.2306 249.2149 275.6358 759891.1136 5.2851 5.5501 PRESSURE: 652200 -75.484 18.1732 216.449 18.173 -289.34 -216.88 216.449 -216.879 418.016 GPRESSURE: 652200 -86.8626 3.04441 233.338 72.7389 -169.492 -132.652 66.4587 -233.275 380.708 PRESSAVG: 652200 -53.5296 -22.7133 -69.3927 -22.7133 41.8077 -23.3507 -69.3927 -23.3508 11.7832 GPRESSAVG: 652200 -55.5833 -20.0428 -68.7836 -25.3374 41.9452 -21.9688 -68.358 -23.6053 13.5914 TIMING: 652200 CPU: 2055.15, 0.00316707/step Wall: 2055.15, 0.00316707/step, 3.82494 hours remaining, 237.550781 MB of memory in use. ENERGY: 652200 3962.1909 20531.4929 14504.6080 233.3458 -203533.5584 2745.1181 0.0000 0.0000 52260.6140 -109296.1886 300.3425 -161556.8026 -108933.3090 299.3002 17.7306 41.4514 761075.8226 0.0204 -0.0155 LDB: ============= START OF LOAD BALANCING ============== 2067.6 LDB: ============== END OF LOAD BALANCING =============== 2067.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2067.6 LDB: ============= START OF LOAD BALANCING ============== 2067.92 LDB: Largest compute 7026 load 0.036240 is 18.6% of average load 0.194993 LDB: Average compute 0.004421 is 2.3% of average load 0.194993 LDB: TIME 2067.92 LOAD: AVG 0.194993 MAX 0.219127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.582 MB LDB: TIME 2067.92 LOAD: AVG 0.194993 MAX 0.219127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: TIME 2067.93 LOAD: AVG 0.194993 MAX 0.217204 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.582 MB LDB: ============== END OF LOAD BALANCING =============== 2067.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2067.93 PRESSURE: 652400 -141.302 -27.0337 -192.46 -27.0336 -86.8881 -151.183 -192.46 -151.183 -555.9 GPRESSURE: 652400 -74.8159 30.0294 -180.274 36.3805 -8.79024 -142.41 -177.789 0.263621 -615.71 PRESSAVG: 652400 -28.6105 -41.3898 9.2054 -41.3898 48.2156 -16.5013 9.20541 -16.5013 8.30355 GPRESSAVG: 652400 -27.6911 -42.6235 9.40869 -38.9171 46.5641 -16.7018 7.15232 -18.4977 8.83138 TIMING: 652400 CPU: 2055.8, 0.00324424/step Wall: 2055.8, 0.00324424/step, 3.91796 hours remaining, 234.074219 MB of memory in use. ENERGY: 652400 3987.5199 20551.2553 14428.5511 237.2600 -202814.2111 2270.7246 0.0000 0.0000 52061.1989 -109277.7013 299.1964 -161338.9002 -108916.4844 299.5017 -261.3636 -233.1053 761481.7800 9.3029 9.2348 PRESSURE: 652600 -470.724 -175.071 -19.974 -175.071 34.141 -243.475 -19.9732 -243.476 -2.16444 GPRESSURE: 652600 -303.698 -98.4412 37.8439 -64.355 1.612 -230.227 104.053 -237.182 -52.5 PRESSAVG: 652600 -18.6963 -7.18088 -25.742 -7.18086 15.0735 28.0794 -25.742 28.0792 -4.36082 GPRESSAVG: 652600 -19.3639 -6.52635 -26.0206 -5.79382 16.2846 27.8083 -24.4787 28.0838 -4.98831 TIMING: 652600 CPU: 2056.43, 0.00315155/step Wall: 2056.43, 0.00315155/step, 3.80585 hours remaining, 234.074219 MB of memory in use. ENERGY: 652600 3955.5334 20470.2510 14527.3878 231.3001 -202889.6102 2249.9097 0.0000 0.0000 52280.0330 -109175.1952 300.4541 -161455.2282 -108805.2685 299.8083 -146.2491 -118.1952 761561.9522 -2.6612 -2.6892 PRESSURE: 652800 425.745 -56.35 -115.807 -56.3501 241.077 -180.005 -115.807 -180.006 432.06 GPRESSURE: 652800 425.112 -74.4859 -91.3385 -60.0362 368.641 -91.9671 -140.41 -211.303 375.021 PRESSAVG: 652800 -21.5382 -22.0509 -14.2312 -22.0509 34.0006 14.3724 -14.2312 14.3724 25.6987 GPRESSAVG: 652800 -20.5981 -22.8666 -14.4107 -23.9355 34.6073 13.7996 -12.7849 15.6626 23.8666 TIMING: 652800 CPU: 2057.06, 0.00315254/step Wall: 2057.06, 0.00315254/step, 3.80687 hours remaining, 234.074219 MB of memory in use. ENERGY: 652800 4007.7094 20532.9306 14547.0824 236.4784 -203456.5982 2660.0322 0.0000 0.0000 52064.4828 -109407.8823 299.2153 -161472.3652 -109042.2886 299.4878 366.2938 389.5915 759957.9557 12.7204 12.6253 PRESSURE: 653000 -415.658 -82.8498 -148.104 -82.8508 91.5224 -71.6611 -148.104 -71.6622 137.759 GPRESSURE: 653000 -273.097 -108.63 -208.709 -142.009 57.5924 -59.4581 -6.62248 57.8307 116.864 PRESSAVG: 653000 -47.224 -5.22969 21.6143 -5.2297 101.552 37.1415 21.6143 37.1415 -8.19768 GPRESSAVG: 653000 -47.2991 -5.29115 21.1436 -4.63618 102.673 36.343 20.7344 38.4873 -8.91801 TIMING: 653000 CPU: 2057.69, 0.00315482/step Wall: 2057.69, 0.00315482/step, 3.80945 hours remaining, 234.074219 MB of memory in use. ENERGY: 653000 3931.4416 20469.4554 14522.3210 245.1948 -203146.9479 2442.1953 0.0000 0.0000 52156.9859 -109379.3540 299.7469 -161536.3399 -109021.2527 299.0516 -62.1257 -32.8800 760995.6817 15.3767 15.4855 PRESSURE: 653200 501.073 -97.2329 32.4659 -97.2329 -259.277 -18.2776 32.4659 -18.2777 128.463 GPRESSURE: 653200 474.164 -97.0896 -4.35805 -51.4126 -186.823 -58.6202 1.68566 42.2587 146.173 PRESSAVG: 653200 -10.3939 -3.32155 14.5527 -3.32161 54.9417 32.2607 14.5526 32.2608 -1.36529 GPRESSAVG: 653200 -11.0277 -4.90691 14.5491 -2.43039 54.6166 33.6514 13.4114 30.2097 -1.05964 TIMING: 653200 CPU: 2058.32, 0.00316752/step Wall: 2058.32, 0.00316752/step, 3.8246 hours remaining, 234.074219 MB of memory in use. ENERGY: 653200 3904.8855 20588.7729 14462.6832 233.6871 -203536.9819 2777.4691 0.0000 0.0000 52095.1663 -109474.3177 299.3916 -161569.4840 -109113.8105 299.2008 123.4200 144.5050 760648.7432 14.3942 14.1764 PRESSURE: 653400 -306.67 -56.4494 -208.055 -56.4503 -66.3177 -88.5917 -208.055 -88.5921 -512.441 GPRESSURE: 653400 -276.997 -44.9013 -155.634 59.7917 -147.632 -120.694 -118.335 -52.6833 -401.32 PRESSAVG: 653400 -74.6864 -25.0697 -24.3249 -25.0697 38.1781 -22.4721 -24.3249 -22.4721 -13.0102 GPRESSAVG: 653400 -75.1627 -24.4408 -24.1029 -25.4619 37.8261 -21.7142 -23.3763 -21.085 -12.0822 TIMING: 653400 CPU: 2058.95, 0.00316802/step Wall: 2058.95, 0.00316802/step, 3.82503 hours remaining, 234.074219 MB of memory in use. ENERGY: 653400 4000.5933 20511.3578 14453.9270 244.0727 -202842.3581 2299.7441 0.0000 0.0000 52051.0736 -109281.5897 299.1382 -161332.6633 -108913.8379 299.6103 -295.1431 -275.3164 762337.5948 -16.5061 -16.4730 PRESSURE: 653600 207.747 -66.9322 39.5866 -66.9335 378.553 67.1965 39.5854 67.1983 -28.4461 GPRESSURE: 653600 187.086 -38.0162 127.961 -94.704 419.362 17.6919 121.981 72.0384 5.88374 PRESSAVG: 653600 -31.0635 -56.8974 13.4814 -56.8974 55.6106 -39.535 13.4814 -39.535 15.0912 GPRESSAVG: 653600 -31.731 -56.0741 14.856 -58.5292 54.8274 -41.0225 12.6385 -39.5632 15.85 TIMING: 653600 CPU: 2059.59, 0.00317444/step Wall: 2059.59, 0.00317444/step, 3.8326 hours remaining, 234.074219 MB of memory in use. ENERGY: 653600 4030.7182 20524.7394 14507.6980 233.9101 -203517.1598 2714.9508 0.0000 0.0000 51996.5184 -109508.6249 298.8247 -161505.1433 -109144.0659 299.5014 185.9513 204.1106 760471.0297 13.2128 12.9821 PRESSURE: 653800 -320.433 -317.45 131.517 -317.45 -207.23 121.337 131.517 121.337 -227.645 GPRESSURE: 653800 -321.568 -264.172 120.935 -299.349 -86.1958 65.6653 93.6879 126.926 -245.629 PRESSAVG: 653800 -32.8968 -3.17731 10.7994 -3.17727 64.8438 -5.7895 10.7994 -5.7895 5.88902 GPRESSAVG: 653800 -31.7689 -4.57107 10.3364 -2.90815 66.0552 -5.45989 13.5671 -7.07665 3.50865 TIMING: 653800 CPU: 2060.23, 0.00319407/step Wall: 2060.23, 0.00319407/step, 3.85613 hours remaining, 234.074219 MB of memory in use. ENERGY: 653800 3892.3080 20530.7992 14540.1450 239.5494 -203178.0736 2200.5739 0.0000 0.0000 51982.5755 -109792.1226 298.7446 -161774.6981 -109434.1954 298.9605 -251.7690 -217.7976 760237.0052 12.6120 12.5983 PRESSURE: 654000 -246.172 -183.846 -175.901 -183.846 -302.887 52.8167 -175.901 52.8161 -132.411 GPRESSURE: 654000 -141.054 -107.211 -123.029 -117.392 -272.924 78.5848 -99.1045 -10.7247 -193.698 PRESSAVG: 654000 -9.49035 -70.6618 11.9567 -70.6619 -20.1187 36.7543 11.9567 36.7543 19.4413 GPRESSAVG: 654000 -9.73152 -70.3224 11.4568 -70.2852 -20.8681 38.2563 8.48886 36.9352 20.9248 TIMING: 654000 CPU: 2060.87, 0.00318847/step Wall: 2060.87, 0.00318847/step, 3.84919 hours remaining, 234.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 654000 3976.6275 20396.2236 14437.1023 244.7875 -203095.2897 2452.4691 0.0000 0.0000 51694.7911 -109893.2886 297.0907 -161588.0797 -109542.1105 297.8992 -227.1566 -202.5587 762705.7730 -3.3892 -3.2250 PRESSURE: 654200 -254.005 15.6485 -95.8473 15.6489 52.7916 205.395 -95.8478 205.395 70.4715 GPRESSURE: 654200 -184.588 93.845 -92.2152 -71.1914 24.3161 152.962 -154.458 160.625 91.131 PRESSAVG: 654200 0.313511 -2.67417 -31.1239 -2.67414 43.2952 -32.4143 -31.1238 -32.4143 7.35984 GPRESSAVG: 654200 0.0497605 2.02566 -31.2261 -3.92595 43.4219 -33.6625 -28.4885 -32.3522 7.19988 TIMING: 654200 CPU: 2061.5, 0.00316168/step Wall: 2061.5, 0.00316168/step, 3.81668 hours remaining, 234.074219 MB of memory in use. ENERGY: 654200 4046.8106 20495.2799 14574.9094 256.6508 -203324.0882 2416.9265 0.0000 0.0000 51809.7192 -109723.7917 297.7512 -161533.5110 -109368.6309 298.3793 -43.5805 -23.0469 759264.5880 16.9895 16.8905 PRESSURE: 654400 -156.842 22.4964 -116.83 22.4961 2.94729 -60.8831 -116.83 -60.8841 -214.453 GPRESSURE: 654400 -42.072 14.3369 -109.6 -12.7483 -103.423 -29.9051 -151.157 -35.6377 -130.624 PRESSAVG: 654400 -18.3008 9.97648 -39.5711 9.97659 1.13172 1.90394 -39.5711 1.90401 9.21699 GPRESSAVG: 654400 -18.8132 7.40518 -40.4191 10.7476 1.50065 0.172184 -40.745 4.15731 9.86268 TIMING: 654400 CPU: 2062.13, 0.00315281/step Wall: 2062.13, 0.00315281/step, 3.8058 hours remaining, 234.074219 MB of memory in use. ENERGY: 654400 3981.6556 20493.8970 14432.9380 261.9385 -203559.2883 2470.5853 0.0000 0.0000 51941.8443 -109976.4296 298.5105 -161918.2739 -109613.1977 298.3316 -122.7825 -92.0397 760651.9532 -2.6507 -2.4833 PRESSURE: 654600 -111.016 -4.66944 179.405 -4.67022 -150.737 233.695 179.405 233.694 -479.406 GPRESSURE: 654600 -8.9994 -20.192 187.537 36.2066 -125.824 154.569 117.558 135.831 -506.55 PRESSAVG: 654600 -8.87547 -14.825 -17.2214 -14.8249 25.2858 33.9752 -17.2214 33.9752 33.2775 GPRESSAVG: 654600 -7.67479 -15.5537 -15.1688 -13.4334 24.1076 34.8746 -15.8536 32.3413 32.9363 TIMING: 654600 CPU: 2062.76, 0.00315113/step Wall: 2062.76, 0.00315113/step, 3.80359 hours remaining, 234.074219 MB of memory in use. ENERGY: 654600 3947.8250 20320.6008 14468.2070 253.3351 -203325.8857 2302.3427 0.0000 0.0000 51901.1344 -110132.4408 298.2765 -162033.5752 -109763.1889 298.1442 -247.0526 -213.7913 760448.4476 16.5626 16.4564 PRESSURE: 654800 -521.59 137.696 -17.8885 137.696 31.0228 38.8285 -17.8885 38.8291 -175.537 GPRESSURE: 654800 -491.926 -1.69318 -2.00554 159.476 94.3392 42.141 -70.0035 123.023 -185.927 PRESSAVG: 654800 -89.7207 -35.0691 23.0902 -35.0691 58.9308 -10.9233 23.0902 -10.9232 6.9092 GPRESSAVG: 654800 -90.3635 -36.3722 21.3915 -35.5933 59.474 -10.1015 22.4251 -9.88592 7.42462 TIMING: 654800 CPU: 2063.39, 0.00314581/step Wall: 2063.39, 0.00314581/step, 3.79699 hours remaining, 234.074219 MB of memory in use. ENERGY: 654800 3972.3569 20398.2234 14520.7648 262.9627 -203673.3767 2625.7977 0.0000 0.0000 52202.1925 -109691.0787 300.0067 -161893.2712 -109316.0763 298.2385 -222.0347 -194.5045 761403.8553 -7.9602 -7.8216 PRESSURE: 655000 -217.059 -135.423 53.1299 -135.423 66.0526 -34.9545 53.1296 -34.9565 292.91 GPRESSURE: 655000 -119.631 -118.543 93.2198 -40.7839 36.1503 -54.5503 8.72781 26.241 310.773 PRESSAVG: 655000 -93.0942 6.51978 1.21011 6.5198 48.8273 7.76559 1.21013 7.76562 -5.28404 GPRESSAVG: 655000 -92.0906 7.0742 1.69762 6.55358 49.4053 7.03391 1.13715 8.33589 -6.33206 TIMING: 655000 CPU: 2064.02, 0.00315973/step Wall: 2064.02, 0.00315973/step, 3.81362 hours remaining, 234.074219 MB of memory in use. ENERGY: 655000 3999.9877 20472.9807 14405.7119 260.2612 -203540.2983 2549.8973 0.0000 0.0000 51934.7736 -109916.6858 298.4699 -161851.4595 -109550.3684 298.3054 47.3010 75.7642 760806.5341 -16.5170 -16.3391 PRESSURE: 655200 -25.1855 77.5748 19.8543 77.5753 -173.556 130.808 19.8542 130.809 119.45 GPRESSURE: 655200 -29.6019 183.809 50.7323 69.0398 -58.3782 116.358 131.162 173.604 98.4928 PRESSAVG: 655200 -99.0268 -53.5663 51.7396 -53.5663 105.34 20.3304 51.7396 20.3304 16.3541 GPRESSAVG: 655200 -100.03 -52.6629 52.0573 -54.3987 105.919 20.8997 53.2633 19.4489 17.3251 TIMING: 655200 CPU: 2064.65, 0.00315025/step Wall: 2064.65, 0.00315025/step, 3.80201 hours remaining, 234.074219 MB of memory in use. ENERGY: 655200 3927.5166 20553.1101 14537.7912 248.3794 -203619.7585 2538.0960 0.0000 0.0000 51928.2186 -109886.6466 298.4322 -161814.8652 -109517.8616 298.3812 -26.4306 3.5042 759155.6187 7.5557 7.7383 PRESSURE: 655400 -249.284 119.691 -44.2785 119.69 247.787 283.746 -44.278 283.747 -0.375233 GPRESSURE: 655400 -164.551 221.599 -97.827 69.7483 196.284 282.863 -147.129 281.674 18.8709 PRESSAVG: 655400 -26.3728 7.12264 10.6311 7.12263 72.6667 31.627 10.6312 31.627 25.2142 GPRESSAVG: 655400 -27.1178 7.0217 10.4531 6.28796 72.1198 31.2998 10.0465 31.4469 25.912 TIMING: 655400 CPU: 2065.28, 0.00315548/step Wall: 2065.28, 0.00315548/step, 3.80814 hours remaining, 234.074219 MB of memory in use. ENERGY: 655400 3852.6767 20441.9807 14527.7038 240.3776 -203352.7158 2572.2808 0.0000 0.0000 51785.7922 -109931.9039 297.6137 -161717.6961 -109573.9816 298.1850 -0.6240 16.8680 761515.4502 23.8360 23.6380 PRESSURE: 655600 -213.085 123.748 192.321 123.749 355.981 -20.5732 192.321 -20.5741 -125.75 GPRESSURE: 655600 -51.7141 -19.7484 254.992 172.638 326.713 -37.9044 191.602 -76.5872 -144.709 PRESSAVG: 655600 -89.8303 -13.7276 70.6158 -13.7276 90.1794 13.6842 70.6158 13.6842 -4.20779 GPRESSAVG: 655600 -88.2951 -15.7365 69.648 -11.0521 89.585 14.1718 69.2908 13.9039 -5.47525 TIMING: 655600 CPU: 2065.91, 0.00314292/step Wall: 2065.91, 0.00314292/step, 3.7928 hours remaining, 234.074219 MB of memory in use. ENERGY: 655600 4048.5499 20322.3266 14489.2631 247.3703 -203228.0854 2654.8540 0.0000 0.0000 51693.2261 -109772.4953 297.0817 -161465.7214 -109400.7782 298.5842 5.7155 43.4300 761430.6752 -1.2862 -1.3951 PRESSURE: 655800 94.1713 -20.744 -8.81793 -20.7433 -354.361 217.809 -8.81813 217.809 76.4927 GPRESSURE: 655800 132.762 34.6326 31.9058 40.709 -276.942 200.199 93.9164 128.893 55.064 PRESSAVG: 655800 -101.794 -5.91363 24.897 -5.91368 55.698 -9.53446 24.897 -9.53445 19.1444 GPRESSAVG: 655800 -102.724 -5.26711 25.1081 -6.14623 56.929 -9.86592 24.8671 -9.27403 19.2223 TIMING: 655800 CPU: 2066.54, 0.00315144/step Wall: 2066.54, 0.00315144/step, 3.80291 hours remaining, 234.074219 MB of memory in use. ENERGY: 655800 3989.4952 20337.7893 14522.8667 258.9959 -203355.5630 2549.2654 0.0000 0.0000 52046.8013 -109650.3491 299.1137 -161697.1505 -109289.0195 298.3830 -61.2323 -29.7052 760363.5088 -8.9838 -8.8576 PRESSURE: 656000 -362.863 -172.12 -28.1765 -172.12 82.1719 5.2785 -28.1769 5.27979 43.7862 GPRESSURE: 656000 -332.018 -231.848 -46.6265 -157.991 192.403 66.8538 -27.2076 -24.1483 -25.5057 PRESSAVG: 656000 -80.5859 -37.1859 -10.8237 -37.1859 71.5054 5.38476 -10.8237 5.38477 20.0706 GPRESSAVG: 656000 -80.2644 -36.8709 -10.7334 -37.2476 71.9214 5.34062 -8.6369 5.59906 19.5107 TIMING: 656000 CPU: 2067.17, 0.00315535/step Wall: 2067.17, 0.00315535/step, 3.80745 hours remaining, 234.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 656000 3982.6421 20336.6307 14516.9518 229.6731 -202854.2635 2197.0881 0.0000 0.0000 51969.4906 -109621.7871 298.6694 -161591.2777 -109247.8854 298.5046 -78.9684 -55.0405 762083.2435 3.6633 3.7226 PRESSURE: 656200 239.713 47.0636 210.533 47.0635 -52.7907 27.237 210.533 27.2363 -150.212 GPRESSURE: 656200 128.1 -14.2947 129.871 93.5124 75.7534 -32.9673 260.273 -30.8332 -88.9084 PRESSAVG: 656200 -62.325 -43.1327 -3.02959 -43.1327 30.845 -11.0421 -3.02959 -11.0421 7.84774 GPRESSAVG: 656200 -62.4353 -43.8312 -4.18672 -42.7212 30.6797 -11.0366 -4.55149 -11.6096 8.12888 TIMING: 656200 CPU: 2067.8, 0.00314361/step Wall: 2067.8, 0.00314361/step, 3.79311 hours remaining, 234.074219 MB of memory in use. ENERGY: 656200 4063.5132 20403.3853 14471.4194 261.1697 -203350.1066 2451.0276 0.0000 0.0000 52253.2547 -109446.3368 300.3002 -161699.5915 -109083.9017 298.8878 12.2368 38.3149 760969.5432 -7.8774 -7.8756 LDB: ============= START OF LOAD BALANCING ============== 2080.25 LDB: ============== END OF LOAD BALANCING =============== 2080.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2080.25 LDB: ============= START OF LOAD BALANCING ============== 2080.57 LDB: Largest compute 7026 load 0.035335 is 18.1% of average load 0.195105 LDB: Average compute 0.004387 is 2.2% of average load 0.195105 LDB: TIME 2080.57 LOAD: AVG 0.195105 MAX 0.217353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.062 MB LDB: TIME 2080.57 LOAD: AVG 0.195105 MAX 0.217353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 2080.57 LOAD: AVG 0.195105 MAX 0.217353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 2080.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2080.58 PRESSURE: 656400 149.193 139.848 59.5771 139.846 -347.014 42.3873 59.5766 42.3875 64.3899 GPRESSURE: 656400 31.8126 205.055 108.954 156.897 -215.831 105.277 22.9875 35.9071 127.156 PRESSAVG: 656400 -41.1883 28.0613 60.0797 28.0613 23.795 34.8504 60.0797 34.8504 7.04269 GPRESSAVG: 656400 -41.2268 30.2514 61.4226 25.5684 22.7104 35.2185 59.9296 35.3463 7.79664 TIMING: 656400 CPU: 2068.44, 0.00322165/step Wall: 2068.44, 0.00322165/step, 3.8871 hours remaining, 236.195312 MB of memory in use. ENERGY: 656400 3995.7065 20464.7897 14511.8622 230.7486 -202894.8899 2342.6223 0.0000 0.0000 51852.6931 -109496.4675 297.9981 -161349.1606 -109136.6333 299.0995 -44.4772 -18.9542 761966.6641 -3.4502 -3.5732 PRESSURE: 656600 -210.771 -95.1097 129.199 -95.11 170.726 -111.742 129.199 -111.742 148.624 GPRESSURE: 656600 -110.034 -52.0881 24.8253 -105.032 71.1702 -169.702 193.069 -116.758 270.754 PRESSAVG: 656600 -45.8564 13.7199 66.2625 13.7199 87.5266 69.2551 66.2626 69.2551 16.3051 GPRESSAVG: 656600 -44.8989 12.1785 66.4546 14.7696 86.7683 66.7592 68.6223 70.5574 16.2248 TIMING: 656600 CPU: 2069.08, 0.00316022/step Wall: 2069.08, 0.00316022/step, 3.81281 hours remaining, 236.390625 MB of memory in use. ENERGY: 656600 3953.2137 20392.3088 14510.0809 253.6613 -203394.0191 2584.5750 0.0000 0.0000 52142.0024 -109558.1769 299.6608 -161700.1793 -109201.1596 298.9466 36.1930 77.2967 760089.1464 19.3251 19.3647 PRESSURE: 656800 -356.64 12.1594 -19.5592 12.1593 -4.81604 -94.9068 -19.5582 -94.9058 -33.4848 GPRESSURE: 656800 -316.037 -83.4096 -20.5538 55.7454 11.641 8.00691 -4.68242 -162.734 -26.4757 PRESSAVG: 656800 -79.3326 -22.2956 28.6678 -22.2956 62.9875 -17.7564 28.6677 -17.7564 -12.1162 GPRESSAVG: 656800 -80.4654 -20.9946 28.3622 -22.4775 64.0879 -15.2462 26.5411 -18.8277 -12.3917 TIMING: 656800 CPU: 2069.72, 0.0031941/step Wall: 2069.72, 0.0031941/step, 3.8535 hours remaining, 236.390625 MB of memory in use. ENERGY: 656800 3953.4609 20513.4753 14474.2768 258.6941 -203318.5331 2452.5412 0.0000 0.0000 51956.4036 -109709.6812 298.5942 -161666.0848 -109357.8360 298.6747 -131.6468 -110.2907 761840.0676 -9.4871 -9.5897 PRESSURE: 657000 55.3585 -36.326 -198.82 -36.3255 -230.964 -107.373 -198.821 -107.371 -4.37655 GPRESSURE: 657000 33.7965 -1.79432 -134.258 -119.657 -93.8565 -96.7824 -123.435 -138.882 -33.9438 PRESSAVG: 657000 -40.3173 -8.30293 -5.11332 -8.30283 47.2717 19.3916 -5.11329 19.3916 13.3281 GPRESSAVG: 657000 -39.5734 -7.52046 -3.75808 -7.65188 47.8302 17.6097 -5.30959 19.518 12.3829 TIMING: 657000 CPU: 2070.36, 0.00320207/step Wall: 2070.36, 0.00320207/step, 3.86294 hours remaining, 236.390625 MB of memory in use. ENERGY: 657000 3963.8113 20475.4985 14531.9282 245.3937 -203399.8752 2451.6061 0.0000 0.0000 52108.2375 -109623.3999 299.4668 -161731.6374 -109252.5323 298.7183 -59.9940 -31.3346 759500.1878 6.7608 6.8799 PRESSURE: 657200 -147.815 170.353 27.6547 170.353 89.0898 -203.757 27.6548 -203.758 450.762 GPRESSURE: 657200 -144.806 195.047 78.4314 44.9051 136.861 -177.74 -85.092 -128.383 477.701 PRESSAVG: 657200 -33.0742 34.3821 -47.5708 34.3821 43.3288 62.4673 -47.5708 62.4673 -4.4099 GPRESSAVG: 657200 -33.4426 32.6337 -48.8898 34.2895 43.9682 63.1679 -45.6264 62.686 -4.69119 TIMING: 657200 CPU: 2070.99, 0.00316796/step Wall: 2070.99, 0.00316796/step, 3.82161 hours remaining, 236.390625 MB of memory in use. ENERGY: 657200 3996.9165 20563.0622 14390.1188 240.5270 -203524.8229 2620.9413 0.0000 0.0000 52103.2229 -109610.0342 299.4379 -161713.2571 -109245.6960 299.0590 130.6789 156.5851 760624.2215 1.9482 1.9448 PRESSURE: 657400 -78.6815 79.1468 124.315 79.1468 64.786 196.315 124.315 196.316 204.343 GPRESSURE: 657400 -0.356151 177.064 222.507 15.6768 37.4096 141.272 161.97 280.611 235.548 PRESSAVG: 657400 -82.3743 32.0646 -63.1605 32.0646 2.29694 53.1042 -63.1605 53.1043 -17.1207 GPRESSAVG: 657400 -83.2364 31.3989 -64.4332 31.9731 2.49366 53.5944 -63.6729 52.3001 -16.6046 TIMING: 657400 CPU: 2071.62, 0.00314096/step Wall: 2071.62, 0.00314096/step, 3.78887 hours remaining, 236.390625 MB of memory in use. ENERGY: 657400 4008.8005 20532.5722 14467.7172 237.1139 -203309.3323 2562.4997 0.0000 0.0000 51806.1324 -109694.4963 297.7306 -161500.6287 -109331.7121 298.9019 63.4825 90.8670 760403.9999 -32.3993 -32.4491 PRESSURE: 657600 -81.6566 230.769 -126.169 230.77 -24.233 7.54417 -126.168 7.54303 226.127 GPRESSURE: 657600 -37.7907 135.646 -160.533 236.261 52.4199 0.603701 -141.434 -56.8171 198.206 PRESSAVG: 657600 -79.0962 -2.67828 3.67143 -2.67826 45.334 33.1125 3.67142 33.1124 -22.7665 GPRESSAVG: 657600 -78.6649 -3.24872 6.37205 -1.57509 44.3408 32.9504 4.11001 32.1667 -22.2475 TIMING: 657600 CPU: 2072.25, 0.00315216/step Wall: 2072.25, 0.00315216/step, 3.8022 hours remaining, 236.390625 MB of memory in use. ENERGY: 657600 3972.7240 20421.0814 14429.0064 245.8536 -203157.7192 2379.1593 0.0000 0.0000 51947.5820 -109762.3125 298.5435 -161709.8945 -109382.8268 298.7890 40.0791 70.9451 760758.3447 -18.8429 -18.8572 PRESSURE: 657800 -94.9798 -50.9028 63.3578 -50.9028 121.571 -71.2923 63.3577 -71.2936 221.038 GPRESSURE: 657800 -87.8246 -113.88 131.541 48.4009 175.553 -106.832 -6.64066 -90.6303 254.107 PRESSAVG: 657800 -16.5707 -6.62551 11.5655 -6.62552 -2.49348 47.0816 11.5655 47.0815 9.34115 GPRESSAVG: 657800 -17.7335 -6.98023 11.6633 -6.55141 -1.22624 48.24 9.71644 47.0908 9.47755 TIMING: 657800 CPU: 2072.88, 0.00317458/step Wall: 2072.88, 0.00317458/step, 3.82908 hours remaining, 236.390625 MB of memory in use. ENERGY: 657800 4047.7368 20570.8751 14462.2813 241.4192 -203446.9480 2616.5032 0.0000 0.0000 52021.3542 -109486.7782 298.9674 -161508.1325 -109135.0087 299.1919 82.5432 113.9450 760241.0398 -3.2410 -3.1607 PRESSURE: 658000 -238.528 -247.658 25.0388 -247.659 337.92 17.9923 25.0388 17.9932 92.7547 GPRESSURE: 658000 -188.667 -186.908 -30.9255 -123.057 350.402 4.40105 7.81963 55.1051 101.19 PRESSAVG: 658000 -14.9259 -67.9264 28.7007 -67.9264 -6.68154 -17.3525 28.7007 -17.3524 16.3726 GPRESSAVG: 658000 -14.4845 -67.9004 27.4942 -67.3585 -6.89512 -18.1264 28.3141 -15.9791 16.0384 TIMING: 658000 CPU: 2073.52, 0.00316015/step Wall: 2073.52, 0.00316015/step, 3.81149 hours remaining, 236.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 658000 4025.4232 20586.0964 14402.8769 279.2093 -203104.0491 2448.3094 0.0000 0.0000 51872.1928 -109489.9410 298.1102 -161362.1338 -109137.8633 299.1769 64.0489 87.6418 761387.5996 -1.7450 -1.7804 PRESSURE: 658200 38.5515 -134.943 -132.928 -134.944 220.548 12.8549 -132.928 12.8544 382.485 GPRESSURE: 658200 132.169 -70.6228 -159.131 -130.282 204.747 34.0016 -145.524 -64.7042 396.678 PRESSAVG: 658200 -35.9145 -22.2406 -36.6016 -22.2407 7.33592 -14.4209 -36.6016 -14.4209 0.649988 GPRESSAVG: 658200 -34.2744 -20.8457 -35.1058 -22.2803 5.7992 -13.8385 -36.5604 -16.231 -0.024988 TIMING: 658200 CPU: 2074.15, 0.00315867/step Wall: 2074.15, 0.00315867/step, 3.80953 hours remaining, 236.421875 MB of memory in use. ENERGY: 658200 3998.1457 20357.4138 14488.6560 233.3111 -203494.4372 2680.2754 0.0000 0.0000 51949.2674 -109787.3676 298.5532 -161736.6351 -109421.1163 298.9780 213.8616 244.5314 761741.8715 -9.3095 -9.5001 PRESSURE: 658400 72.8712 127.153 31.2357 127.153 25.6819 236.714 31.2354 236.713 -312.315 GPRESSURE: 658400 140.918 157.145 -41.6972 17.2803 41.3495 219.503 29.5676 253.79 -290.014 PRESSAVG: 658400 -17.613 3.83742 10.2138 3.83748 26.2279 -7.74491 10.2137 -7.74493 -3.32019 GPRESSAVG: 658400 -18.5 3.53134 9.43459 3.54159 26.3586 -8.72153 11.5663 -7.601 -2.53096 TIMING: 658400 CPU: 2074.78, 0.00315231/step Wall: 2074.78, 0.00315231/step, 3.80169 hours remaining, 236.421875 MB of memory in use. ENERGY: 658400 4023.6877 20453.0214 14442.0808 241.1371 -203094.8107 2443.2123 0.0000 0.0000 51687.5677 -109804.1037 297.0492 -161491.6714 -109449.5095 298.7372 -71.2539 -35.9155 761007.3456 1.7649 1.7759 PRESSURE: 658600 -42.6883 34.3896 170.29 34.3893 220.012 -125.157 170.29 -125.157 313.697 GPRESSURE: 658600 136.193 -28.7989 178.126 -48.7123 139.993 -127.036 277.524 -123.022 296.009 PRESSAVG: 658600 13.6108 -62.8112 4.41281 -62.8113 -20.9781 -8.19066 4.41279 -8.19064 -2.33922 GPRESSAVG: 658600 12.9396 -63.9726 4.2373 -60.865 -22.315 -7.97564 5.15536 -7.75226 -0.276915 TIMING: 658600 CPU: 2075.41, 0.00317015/step Wall: 2075.41, 0.00317015/step, 3.82303 hours remaining, 236.421875 MB of memory in use. ENERGY: 658600 4006.4254 20475.1660 14440.3010 264.6395 -203631.2734 2772.5767 0.0000 0.0000 51904.5552 -109767.6096 298.2962 -161672.1649 -109413.4723 298.3989 163.6736 190.7313 760990.7381 -3.2355 -3.2174 PRESSURE: 658800 -61.8561 -93.3163 29.0005 -93.3163 77.6341 -37.0811 29.001 -37.0804 254.271 GPRESSURE: 658800 -6.51254 -83.7225 39.8562 -167.259 147.868 28.9459 -13.6534 -6.23878 210.099 PRESSAVG: 658800 -45.3444 -45.8706 56.7959 -45.8706 30.8492 -70.72 56.7959 -70.72 -6.85551 GPRESSAVG: 658800 -43.5444 -44.9399 56.4424 -48.2313 32.5079 -70.7423 57.0148 -68.6301 -10.2753 TIMING: 658800 CPU: 2076.04, 0.00315609/step Wall: 2076.04, 0.00315609/step, 3.8059 hours remaining, 236.421875 MB of memory in use. ENERGY: 658800 3958.3938 20401.3334 14428.5872 258.6215 -203690.3854 2864.6966 0.0000 0.0000 52026.9158 -109751.8371 298.9994 -161778.7528 -109386.8266 298.3132 90.0162 117.1517 760889.4282 -7.1169 -7.1040 PRESSURE: 659000 80.4899 122.364 54.7266 122.364 216.415 -14.4583 54.7266 -14.4589 -240.65 GPRESSURE: 659000 107.628 66.8901 113.27 105.528 182.025 -142.792 -15.085 15.5223 -159.042 PRESSAVG: 659000 -22.1861 0.74862 -9.02711 0.748592 12.773 15.6018 -9.02713 15.6018 3.0386 GPRESSAVG: 659000 -24.0337 0.65226 -8.59038 1.57357 13.4483 15.4145 -9.18548 15.1125 4.6724 TIMING: 659000 CPU: 2076.68, 0.00318084/step Wall: 2076.68, 0.00318084/step, 3.83556 hours remaining, 236.421875 MB of memory in use. ENERGY: 659000 4018.4111 20389.5558 14434.0134 236.3086 -203635.9633 2672.5408 0.0000 0.0000 52051.7274 -109833.4063 299.1420 -161885.1337 -109466.9197 299.0287 18.7514 43.5371 761688.0980 -2.1248 -1.9710 PRESSURE: 659200 -0.515615 -188.769 -37.641 -188.77 25.7176 -181.411 -37.6405 -181.41 319.405 GPRESSURE: 659200 96.8288 -152.792 9.00099 -187.676 10.6232 -224.248 -83.7407 -130.098 311.963 PRESSAVG: 659200 -10.3708 -42.3425 -8.45986 -42.3425 49.8446 68.075 -8.45986 68.0751 0.136411 GPRESSAVG: 659200 -9.86001 -44.0795 -7.56106 -43.3436 49.5824 68.6454 -10.9273 68.0226 -0.202936 TIMING: 659200 CPU: 2077.31, 0.00315738/step Wall: 2077.31, 0.00315738/step, 3.80709 hours remaining, 236.421875 MB of memory in use. ENERGY: 659200 3969.6428 20485.0227 14415.2582 236.0925 -203447.5320 2483.8496 0.0000 0.0000 51914.2618 -109943.4045 298.3520 -161857.6663 -109578.1078 298.4450 114.8689 139.8049 761191.7222 13.2034 13.1731 PRESSURE: 659400 -294.276 130.531 -49.1546 130.531 -194.32 169.027 -49.1549 169.027 -272.339 GPRESSURE: 659400 -200.542 142.835 -33.3615 178.476 -195.836 130.332 -68.7916 100.116 -271.598 PRESSAVG: 659400 58.6311 -46.7063 20.5766 -46.7062 3.95971 -20.1879 20.5767 -20.1878 7.10036 GPRESSAVG: 659400 59.9321 -45.6584 19.6127 -45.4334 2.50892 -20.9176 21.3154 -20.4745 7.8771 TIMING: 659400 CPU: 2077.94, 0.00314932/step Wall: 2077.94, 0.00314932/step, 3.7972 hours remaining, 236.421875 MB of memory in use. ENERGY: 659400 3969.9939 20611.4191 14386.9062 271.1026 -203596.8124 2539.4144 0.0000 0.0000 51745.6889 -110072.2873 297.3832 -161817.9762 -109711.2415 297.9039 -253.6451 -222.6584 761916.5382 23.2304 23.4394 PRESSURE: 659600 45.4002 -37.463 159.604 -37.4634 179.891 44.165 159.603 44.1665 220.805 GPRESSURE: 659600 39.4191 -48.4955 250.859 -140.243 261.734 85.4371 87.3187 66.1034 215.24 PRESSAVG: 659600 -45.8687 -51.2334 -14.4448 -51.2334 -7.97976 32.552 -14.4448 32.552 -1.30176 GPRESSAVG: 659600 -46.9412 -51.4834 -14.0616 -51.5084 -5.7598 31.8004 -12.2235 31.7945 -2.19006 TIMING: 659600 CPU: 2078.57, 0.00317423/step Wall: 2078.57, 0.00317423/step, 3.82706 hours remaining, 236.421875 MB of memory in use. ENERGY: 659600 3946.0835 20571.7701 14429.1371 231.9026 -203177.9807 2283.9246 0.0000 0.0000 51960.1021 -109755.0606 298.6154 -161715.1627 -109391.5584 298.0346 148.6988 172.1310 763130.1103 -18.3834 -18.2970 PRESSURE: 659800 -194.773 -118.147 14.1891 -118.147 -40.4367 192.043 14.1887 192.042 370.451 GPRESSURE: 659800 25.5972 -67.3282 8.54405 -158.015 -152.603 154.007 -9.28338 129.096 354.862 PRESSAVG: 659800 -8.06059 -24.8204 12.0188 -24.8204 19.8194 -19.3478 12.0188 -19.3478 2.9726 GPRESSAVG: 659800 -6.79386 -23.74 12.2547 -23.7647 18.4639 -18.2541 10.7406 -18.9545 2.64154 TIMING: 659800 CPU: 2079.21, 0.00317227/step Wall: 2079.21, 0.00317227/step, 3.82453 hours remaining, 236.421875 MB of memory in use. ENERGY: 659800 3962.6393 20451.9860 14468.8815 261.7346 -203715.2781 2677.5743 0.0000 0.0000 51985.6552 -109906.8072 298.7623 -161892.4623 -109540.6139 298.4602 45.0804 75.9522 760369.7036 4.9105 4.7705 PRESSURE: 660000 -270.027 3.27346 9.88451 3.27373 -77.5499 -67.8659 9.88345 -67.8659 -40.1249 GPRESSURE: 660000 -309.932 -128.231 -29.557 -5.7524 73.056 -72.86 -33.9249 -154.821 -56.8044 PRESSAVG: 660000 27.3295 -56.4454 1.96716 -56.4455 12.2003 57.6886 1.9672 57.6886 10.2376 GPRESSAVG: 660000 25.9684 -57.3593 0.631941 -57.0848 12.4679 57.0756 0.729628 59.1107 10.8801 TIMING: 660000 CPU: 2079.84, 0.00313835/step Wall: 2079.84, 0.00313835/step, 3.78345 hours remaining, 236.421875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 660000 3971.2980 20506.7764 14412.2973 252.3675 -203799.7865 2594.1417 0.0000 0.0000 52091.3981 -109971.5076 299.3700 -162062.9057 -109602.9391 298.9173 -129.2340 -97.8933 760506.2296 16.5891 16.4388 PRESSURE: 660200 39.4562 92.6005 253.656 92.6004 -310.332 164.302 253.656 164.301 311.986 GPRESSURE: 660200 109.715 -48.2082 345.125 81.3741 -320.052 123.723 195.362 209.405 343.916 PRESSAVG: 660200 -20.4521 -36.3658 14.4836 -36.3657 10.9928 19.3919 14.4837 19.3919 24.1389 GPRESSAVG: 660200 -20.1125 -36.5664 15.4912 -37.4749 11.2825 19.2135 16.9904 18.1409 23.8048 TIMING: 660200 CPU: 2080.47, 0.00315309/step Wall: 2080.47, 0.00315309/step, 3.80105 hours remaining, 236.421875 MB of memory in use. ENERGY: 660200 3999.8495 20464.2872 14395.6359 250.4940 -203418.4221 2794.3685 0.0000 0.0000 51477.4043 -110036.3829 295.8413 -161513.7871 -109682.4208 298.2952 13.7033 44.5263 761879.2573 4.8932 4.9916 LDB: ============= START OF LOAD BALANCING ============== 2092.92 LDB: ============== END OF LOAD BALANCING =============== 2092.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2092.92 LDB: ============= START OF LOAD BALANCING ============== 2093.24 LDB: Largest compute 7026 load 0.035709 is 18.3% of average load 0.194982 LDB: Average compute 0.004381 is 2.2% of average load 0.194982 LDB: TIME 2093.24 LOAD: AVG 0.194982 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.062 MB LDB: TIME 2093.24 LOAD: AVG 0.194982 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.066 MB LDB: TIME 2093.24 LOAD: AVG 0.194982 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.066 MB LDB: ============== END OF LOAD BALANCING =============== 2093.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2093.25 PRESSURE: 660400 -86.7024 -70.8115 -7.21474 -70.8116 142.321 -162.215 -7.21476 -162.215 -62.285 GPRESSURE: 660400 -46.4113 -81.7229 50.5946 -134.497 129.681 -237.265 -147.008 -134.536 -7.75756 PRESSAVG: 660400 -26.9205 13.3236 -10.7034 13.3236 8.81064 35.3929 -10.7034 35.393 6.89197 GPRESSAVG: 660400 -27.0038 15.9128 -10.8885 13.1595 8.35484 34.3931 -11.7009 35.4674 7.52188 TIMING: 660400 CPU: 2081.11, 0.00322063/step Wall: 2081.11, 0.00322063/step, 3.8823 hours remaining, 235.777344 MB of memory in use. ENERGY: 660400 3949.7419 20382.3809 14504.7355 267.6414 -203693.7650 2566.1259 0.0000 0.0000 52179.1763 -109843.9630 299.8744 -162023.1393 -109483.7479 298.4370 -2.2222 25.1708 760157.4227 -3.7393 -3.7090 PRESSURE: 660600 336.432 165.031 -3.34852 165.032 38.8734 -147.532 -3.34865 -147.532 -255.011 GPRESSURE: 660600 326.78 140.176 -11.8197 102.408 35.125 -139.662 -55.4934 -57.5521 -162.914 PRESSAVG: 660600 -20.7477 -23.2871 -0.662835 -23.2871 50.9157 13.3478 -0.662863 13.3478 2.97484 GPRESSAVG: 660600 -21.4118 -25.1006 -0.168934 -22.3188 51.7764 15.3224 0.766783 15.5196 2.95493 TIMING: 660600 CPU: 2081.75, 0.00318797/step Wall: 2081.75, 0.00318797/step, 3.84274 hours remaining, 235.777344 MB of memory in use. ENERGY: 660600 3975.4014 20395.9069 14519.4355 249.9951 -203383.2114 2368.7311 0.0000 0.0000 51885.9168 -109987.8246 298.1891 -161873.7414 -109619.6346 298.5195 40.0983 66.3305 759322.2281 11.0476 11.1065 PRESSURE: 660800 77.2664 -171.026 115.654 -171.026 106.574 117.574 115.653 117.573 -101.878 GPRESSURE: 660800 135.855 -231.275 91.1154 -112.633 88.8668 121.977 52.2448 155.476 -46.4669 PRESSAVG: 660800 -11.0543 44.3135 13.6344 44.3135 17.388 29.4493 13.6344 29.4493 -9.09368 GPRESSAVG: 660800 -10.9408 44.3568 11.5396 44.5118 16.6703 28.4271 13.0829 29.2037 -8.55193 TIMING: 660800 CPU: 2082.39, 0.00318471/step Wall: 2082.39, 0.00318471/step, 3.83864 hours remaining, 235.976562 MB of memory in use. ENERGY: 660800 3939.4771 20652.0096 14390.9790 266.6702 -203945.0468 2841.8467 0.0000 0.0000 52137.1477 -109716.9164 299.6329 -161854.0641 -109356.5176 298.5074 27.3208 59.4182 759525.3130 -0.9200 -0.9408 PRESSURE: 661000 266.255 40.0274 -43.303 40.0285 249.731 209.433 -43.3031 209.434 50.4871 GPRESSURE: 661000 300.196 2.63581 -53.2469 -46.473 286.322 289.461 133.381 116.391 79.0778 PRESSAVG: 661000 16.0702 52.2274 -45.2384 52.2274 19.2598 10.7434 -45.2384 10.7435 8.45523 GPRESSAVG: 661000 16.9083 53.2526 -43.8009 50.065 19.4604 10.1132 -44.5004 9.36085 7.31983 TIMING: 661000 CPU: 2083.02, 0.00317696/step Wall: 2083.02, 0.00317696/step, 3.82913 hours remaining, 235.976562 MB of memory in use. ENERGY: 661000 4026.8049 20543.5477 14500.7815 261.0357 -204135.0337 3005.4331 0.0000 0.0000 51974.4448 -109822.9859 298.6978 -161797.4307 -109464.8295 298.8228 188.8242 221.8652 759789.4788 14.5951 14.5629 PRESSURE: 661200 -88.8393 -64.5126 45.9577 -64.5126 237.547 -127.471 45.9579 -127.471 -377.774 GPRESSURE: 661200 -40.2344 -10.0498 96.8284 -27.199 276.927 -39.9276 48.4368 -170.017 -386.349 PRESSAVG: 661200 14.3613 19.3243 0.909654 19.3243 -12.8483 -32.985 0.909657 -32.9851 16.7349 GPRESSAVG: 661200 13.7436 19.7237 0.0243989 20.6522 -13.109 -31.05 -0.798879 -34.4898 17.9379 TIMING: 661200 CPU: 2083.65, 0.00315237/step Wall: 2083.65, 0.00315237/step, 3.7993 hours remaining, 235.976562 MB of memory in use. ENERGY: 661200 3930.5736 20343.9959 14500.1408 272.4342 -203776.2629 2810.9802 0.0000 0.0000 52060.5898 -109857.5485 299.1929 -161918.1383 -109496.1767 298.5084 -76.3555 -49.8855 762347.1804 6.0826 6.1908 PRESSURE: 661400 -306.071 63.9263 19.9057 63.927 -532.844 206.391 19.9063 206.389 -334.938 GPRESSURE: 661400 -271.414 28.1658 39.0672 -28.0368 -435.312 139.758 -44.2406 118.065 -396.629 PRESSAVG: 661400 -54.8421 22.9853 -11.1312 22.9853 75.5557 -5.9461 -11.1312 -5.94616 11.277 GPRESSAVG: 661400 -53.5969 21.266 -11.7263 21.8513 75.5976 -7.21527 -10.0503 -5.48506 9.59759 TIMING: 661400 CPU: 2084.28, 0.00315995/step Wall: 2084.28, 0.00315995/step, 3.80827 hours remaining, 235.976562 MB of memory in use. ENERGY: 661400 3971.9866 20421.9215 14514.7928 252.4651 -203067.1932 2115.6233 0.0000 0.0000 52134.6041 -109655.7999 299.6183 -161790.4039 -109281.5352 298.4223 -391.2843 -367.7850 762165.0191 10.6635 10.5328 PRESSURE: 661600 -271.795 -192.364 -4.72911 -192.365 -254.553 -270.079 -4.72922 -270.079 -302.34 GPRESSURE: 661600 -310.543 -181.242 -16.043 -170.135 -194.944 -218.401 94.7421 -207.775 -235.149 PRESSAVG: 661600 54.9001 20.9377 -31.5006 20.9378 -51.8144 9.33806 -31.5006 9.33816 -14.0613 GPRESSAVG: 661600 53.8944 21.8463 -28.8506 21.2715 -51.4989 10.5842 -31.5054 10.4798 -13.3248 TIMING: 661600 CPU: 2084.92, 0.00316016/step Wall: 2084.92, 0.00316016/step, 3.80834 hours remaining, 235.976562 MB of memory in use. ENERGY: 661600 4004.4190 20466.8763 14504.7577 223.4192 -202948.5413 2443.5266 0.0000 0.0000 51759.7905 -109545.7520 297.4642 -161305.5425 -109191.5263 298.4192 -276.2297 -246.8790 763082.3195 -3.6585 -3.6431 PRESSURE: 661800 -228.16 56.0753 -133.214 56.0753 -480.713 -177.558 -133.214 -177.557 -104.135 GPRESSURE: 661800 -142.922 -115.587 -177.994 12.9036 -408.77 -284.756 -18.1827 -45.38 -164.52 PRESSAVG: 661800 -43.7692 -21.2203 27.8119 -21.2202 23.428 -2.09205 27.8119 -2.09207 3.19073 GPRESSAVG: 661800 -43.0258 -22.4762 26.2043 -21.1703 23.3082 -2.80284 27.7225 -0.054966 2.57803 TIMING: 661800 CPU: 2085.54, 0.00312775/step Wall: 2085.54, 0.00312775/step, 3.76911 hours remaining, 235.976562 MB of memory in use. ENERGY: 661800 3956.3807 20560.9983 14537.8163 234.4214 -203214.3635 2423.1225 0.0000 0.0000 52220.8307 -109280.7937 300.1138 -161501.6244 -108913.0998 299.4302 -271.0028 -238.7375 761716.9832 -5.7168 -5.7132 PRESSURE: 662000 -18.2914 -33.3344 -123.012 -33.3344 352.78 -90.0318 -123.011 -90.0323 149.946 GPRESSURE: 662000 -17.3074 -160.674 -114.61 28.8024 364.044 -87.7663 -67.1841 -245.44 220.829 PRESSAVG: 662000 38.5491 -12.2848 -28.6862 -12.2848 -10.6127 9.27512 -28.6862 9.27506 4.56497 GPRESSAVG: 662000 38.1679 -12.1659 -29.0289 -12.8061 -11.7546 9.79901 -28.3695 6.31996 5.90544 TIMING: 662000 CPU: 2086.17, 0.00314082/step Wall: 2086.17, 0.00314082/step, 3.78469 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: 662000 4004.1363 20656.3329 14393.1684 237.7037 -203316.7517 2606.6959 0.0000 0.0000 52045.9854 -109372.7292 299.1090 -161418.7146 -109015.2709 299.4496 161.4779 189.1884 760716.4125 10.8338 10.7729 PRESSURE: 662200 -61.6194 -99.0963 -153.532 -99.0957 32.3049 -35.8449 -153.531 -35.8443 270.57 GPRESSURE: 662200 111.104 -92.604 -222.524 -138.784 -44.9479 -84.7109 -73.1793 -98.3612 257.89 PRESSAVG: 662200 -12.3573 -31.8119 13.9793 -31.812 31.263 33.1469 13.9793 33.1468 2.48547 GPRESSAVG: 662200 -12.1703 -30.3064 15.1493 -31.6731 31.358 32.6483 13.3591 32.4373 1.98073 TIMING: 662200 CPU: 2086.8, 0.00313155/step Wall: 2086.8, 0.00313155/step, 3.77334 hours remaining, 235.976562 MB of memory in use. ENERGY: 662200 3907.0191 20667.0562 14525.2033 253.4922 -203611.9878 2811.9308 0.0000 0.0000 51910.8300 -109536.4562 298.3323 -161447.2862 -109172.5928 298.9344 80.4185 108.0153 761099.2597 7.1304 7.0562 PRESSURE: 662400 23.6845 47.6624 -85.8153 47.6606 -295.601 -286.549 -85.8149 -286.548 -62.4129 GPRESSURE: 662400 -8.14203 -7.87328 -17.2986 19.9591 -201.201 -281.923 -139.986 -202.055 -51.0496 PRESSAVG: 662400 -20.0709 31.1711 24.7518 31.1712 0.281331 -21.7649 24.7518 -21.7649 5.99944 GPRESSAVG: 662400 -20.8738 30.368 26.2177 30.723 1.3473 -22.4274 24.737 -21.9506 5.60905 TIMING: 662400 CPU: 2087.43, 0.00315471/step Wall: 2087.43, 0.00315471/step, 3.80108 hours remaining, 235.976562 MB of memory in use. ENERGY: 662400 4017.8408 20621.6602 14494.7028 253.9774 -203794.1899 2794.4967 0.0000 0.0000 52062.9358 -109548.5761 299.2064 -161611.5119 -109195.0592 299.4294 -111.4431 -86.7975 761149.6841 -4.5967 -4.6392 PRESSURE: 662600 40.9265 140.301 -102.255 140.301 -243.035 227.035 -102.255 227.035 -541.463 GPRESSURE: 662600 59.332 17.3741 -157.929 47.8751 -294.783 215.432 31.6554 125.351 -437.304 PRESSAVG: 662600 -29.4611 -5.21844 8.21995 -5.21838 26.2493 14.9812 8.22003 14.9812 2.5879 GPRESSAVG: 662600 -28.7193 -5.621 5.37828 -5.28991 25.0154 16.5825 8.65069 14.8195 2.87815 TIMING: 662600 CPU: 2088.06, 0.00315639/step Wall: 2088.06, 0.00315639/step, 3.80292 hours remaining, 235.976562 MB of memory in use. ENERGY: 662600 3991.4043 20500.1235 14553.2222 243.5552 -203212.4854 2354.8270 0.0000 0.0000 52062.2890 -109507.0643 299.2027 -161569.3533 -109140.9159 299.7391 -247.8574 -224.2518 762550.9686 -0.2080 -0.2752 PRESSURE: 662800 78.5947 -213.001 107.569 -213.001 -331.524 44.5525 107.569 44.5524 -226.94 GPRESSURE: 662800 79.7542 -127.085 26.1064 -226.504 -323.996 -13.4432 -2.91647 128.5 -152.063 PRESSAVG: 662800 29.3134 -17.2203 28.4087 -17.2204 -40.3477 30.8226 28.4087 30.8227 -4.78788 GPRESSAVG: 662800 29.2327 -17.3558 30.1279 -17.9805 -40.3581 30.5384 27.0375 33.3195 -4.79311 TIMING: 662800 CPU: 2088.69, 0.00316641/step Wall: 2088.69, 0.00316641/step, 3.81481 hours remaining, 235.976562 MB of memory in use. ENERGY: 662800 3935.9052 20586.6441 14445.0119 237.1090 -203601.5102 2747.4401 0.0000 0.0000 52221.9120 -109427.4879 300.1200 -161649.3999 -109053.9302 299.5923 -159.9565 -132.1017 761533.7440 -5.2740 -5.3062 PRESSURE: 663000 0.66577 -61.9035 -32.3221 -61.9032 140.237 181.411 -32.3225 181.412 313.386 GPRESSURE: 663000 55.8899 -37.6632 0.390882 -133.844 164.417 172.592 -133.319 187.126 303.219 PRESSAVG: 663000 45.3947 25.37 8.80085 25.37 -7.31784 39.4926 8.8009 39.4926 -9.44177 GPRESSAVG: 663000 45.1172 24.7183 7.06861 26.6576 -7.77225 40.0806 10.1504 37.9131 -8.43084 TIMING: 663000 CPU: 2089.32, 0.00315105/step Wall: 2089.32, 0.00315105/step, 3.79614 hours remaining, 235.976562 MB of memory in use. ENERGY: 663000 3994.9027 20681.7142 14473.6117 230.4164 -203429.2142 2678.6129 0.0000 0.0000 52096.2116 -109273.7447 299.3976 -161369.9563 -108908.8718 299.8430 151.4295 174.5088 762506.2393 9.5450 9.6380 PRESSURE: 663200 -609.331 -150.258 7.96061 -150.26 8.98812 -121.13 7.96077 -121.129 -247.081 GPRESSURE: 663200 -506.826 -93.1277 42.8486 -187.763 7.41784 -229.782 -59.7526 -25.0317 -289.028 PRESSAVG: 663200 29.2601 -23.6481 -13.8116 -23.6482 -27.7843 23.3447 -13.8116 23.3447 8.11657 GPRESSAVG: 663200 29.0424 -21.4838 -13.0918 -24.7666 -27.2144 22.6286 -15.6625 24.374 7.516 TIMING: 663200 CPU: 2089.95, 0.0031578/step Wall: 2089.95, 0.00315779/step, 3.80409 hours remaining, 235.976562 MB of memory in use. ENERGY: 663200 3967.4732 20589.8726 14520.3702 239.9585 -203351.5787 2471.0838 0.0000 0.0000 52290.9813 -109271.8391 300.5170 -161562.8204 -108905.6111 299.9632 -282.4747 -262.8122 760563.2300 3.1975 3.1147 PRESSURE: 663400 -72.6323 175.421 -72.1754 175.42 63.0454 -43.4668 -72.1751 -43.4663 121.542 GPRESSURE: 663400 28.4811 150.988 -0.134177 125.081 126.177 4.01451 -51.7381 -107.235 40.0668 PRESSAVG: 663400 16.5211 -8.37357 12.4202 -8.37363 17.296 33.4213 12.4203 33.4214 27.2303 GPRESSAVG: 663400 17.7135 -10.7234 14.0086 -8.05705 16.6124 31.3608 12.1055 35.0696 26.1547 TIMING: 663400 CPU: 2090.59, 0.00316074/step Wall: 2090.59, 0.00316074/step, 3.80746 hours remaining, 235.976562 MB of memory in use. ENERGY: 663400 3977.8429 20604.6432 14604.5926 252.7460 -203547.8912 2785.1770 0.0000 0.0000 52053.2489 -109269.6405 299.1507 -161322.8894 -108901.9262 299.6474 37.3182 64.9084 762400.7320 20.3491 20.1602 PRESSURE: 663600 332.848 56.8977 -284.698 56.8979 -69.7956 -181.035 -284.699 -181.035 -465.338 GPRESSURE: 663600 356.419 -1.32256 -304.26 56.3987 -54.7669 -157.359 -171.954 -126.078 -429.157 PRESSAVG: 663600 14.6588 24.7085 0.623701 24.7085 24.0826 10.632 0.623717 10.632 -13.0038 GPRESSAVG: 663600 12.0306 26.1967 0.263608 23.6047 25.3726 11.9385 1.78187 11.4837 -12.0787 TIMING: 663600 CPU: 2091.22, 0.00315536/step Wall: 2091.22, 0.00315536/step, 3.80081 hours remaining, 235.976562 MB of memory in use. ENERGY: 663600 4002.8323 20640.2863 14458.1594 253.1728 -203032.4599 2371.8913 0.0000 0.0000 52065.8280 -109240.2899 299.2230 -161306.1179 -108872.6452 299.5147 -67.4283 -42.5016 763427.0109 8.5792 8.4415 PRESSURE: 663800 -13.5683 4.4285 -69.6935 4.42991 -193.521 2.84808 -69.6931 2.84792 292.135 GPRESSURE: 663800 -1.79569 -5.82296 1.8781 46.012 -123.848 5.60648 -118.84 7.84712 300.684 PRESSAVG: 663800 -0.471296 46.821 -6.21318 46.8211 -6.23232 20.882 -6.21321 20.882 -8.19781 GPRESSAVG: 663800 1.31616 46.428 -6.56493 45.2288 -7.74203 19.8235 -4.66226 18.0326 -8.60394 TIMING: 663800 CPU: 2091.84, 0.00313058/step Wall: 2091.84, 0.00313058/step, 3.77078 hours remaining, 235.976562 MB of memory in use. ENERGY: 663800 3922.9695 20549.8125 14557.1030 232.4213 -203293.1859 2620.4754 0.0000 0.0000 52133.2577 -109277.1465 299.6105 -161410.4041 -108903.4316 299.5331 28.3485 58.3467 762118.4195 -4.9671 -5.0099 PRESSURE: 664000 71.9108 -155.311 16.1728 -155.311 -366.575 -21.8032 16.1728 -21.8039 -14.9606 GPRESSURE: 664000 110.333 -85.7247 110.238 -157.466 -354.531 26.9412 -27.2495 5.54765 17.9368 PRESSAVG: 664000 7.44707 -30.4823 -35.2541 -30.4823 9.75744 -36.6942 -35.2541 -36.6942 -20.901 GPRESSAVG: 664000 5.57435 -30.7723 -35.238 -29.836 10.7447 -36.3633 -37.4967 -38.8368 -20.0333 TIMING: 664000 CPU: 2092.47, 0.00314397/step Wall: 2092.47, 0.00314397/step, 3.78673 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: 664000 4043.6484 20551.4712 14537.2767 233.6518 -203500.0857 2620.1551 0.0000 0.0000 52195.6126 -109318.2700 299.9689 -161513.8826 -108944.8794 299.6589 -103.2082 -75.4204 761345.1005 -1.2322 -1.2381 PRESSURE: 664200 254.502 161.775 226.221 161.776 64.0148 -79.6179 226.222 -79.6172 -403.307 GPRESSURE: 664200 268.295 91.3308 196.376 284.395 81.6419 -26.1473 81.1232 -104.606 -341.014 PRESSAVG: 664200 47.9138 -64.0837 -36.3031 -64.0837 -16.4162 48.2161 -36.303 48.2161 -7.08139 GPRESSAVG: 664200 49.9272 -66.1405 -35.7946 -61.8239 -17.5632 49.137 -35.4183 50.3038 -8.09404 TIMING: 664200 CPU: 2093.1, 0.00314029/step Wall: 2093.1, 0.00314029/step, 3.78213 hours remaining, 235.976562 MB of memory in use. ENERGY: 664200 3944.5565 20633.3722 14571.0210 246.0725 -203118.8653 2451.6492 0.0000 0.0000 52081.0571 -109191.1369 299.3106 -161272.1939 -108825.6849 300.0198 -28.2632 2.9745 762496.7315 8.1387 8.0900 LDB: ============= START OF LOAD BALANCING ============== 2105.55 LDB: ============== END OF LOAD BALANCING =============== 2105.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2105.55 LDB: ============= START OF LOAD BALANCING ============== 2105.87 LDB: Largest compute 7065 load 0.036798 is 18.9% of average load 0.194990 LDB: Average compute 0.004391 is 2.3% of average load 0.194990 LDB: TIME 2105.87 LOAD: AVG 0.19499 MAX 0.213148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.523 MB LDB: TIME 2105.87 LOAD: AVG 0.19499 MAX 0.213148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: TIME 2105.87 LOAD: AVG 0.19499 MAX 0.213148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.523 MB LDB: ============== END OF LOAD BALANCING =============== 2105.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2105.88 PRESSURE: 664400 -306.351 -289.414 139.374 -289.414 -345.673 -195.777 139.374 -195.777 -354.621 GPRESSURE: 664400 -294.808 -299.6 154.045 -244.415 -276.107 -177.458 -39.7551 -272.783 -349.357 PRESSAVG: 664400 45.1023 -31.4655 -24.7683 -31.4655 -63.9961 42.2329 -24.7683 42.2329 -13.2554 GPRESSAVG: 664400 43.9686 -30.8276 -24.6451 -32.5797 -63.1513 42.4753 -24.1362 40.3684 -13.0328 TIMING: 664400 CPU: 2093.74, 0.00322268/step Wall: 2093.74, 0.00322268/step, 3.88118 hours remaining, 234.039062 MB of memory in use. ENERGY: 664400 4038.4996 20668.3875 14472.2387 249.2547 -203238.8238 2507.9630 0.0000 0.0000 52133.8381 -109168.6421 299.6139 -161302.4802 -108817.8856 300.2789 -335.5483 -306.7574 762335.9733 -10.7164 -10.7385 PRESSURE: 664600 -52.4021 74.81 107.192 74.8095 208.666 -323.69 107.192 -323.691 20.7163 GPRESSURE: 664600 34.8198 129.675 83.8876 79.3833 176.985 -249.471 6.92471 -285.268 75.5601 PRESSAVG: 664600 30.2596 -35.0951 15.2119 -35.0951 -70.795 -0.486688 15.2119 -0.486618 6.40767 GPRESSAVG: 664600 29.7299 -34.6099 14.5167 -33.3477 -71.2238 -2.08405 11.9777 1.76572 7.68185 TIMING: 664600 CPU: 2094.38, 0.00315756/step Wall: 2094.38, 0.00315756/step, 3.80259 hours remaining, 234.039062 MB of memory in use. ENERGY: 664600 4006.7547 20571.9244 14496.6805 243.4214 -203186.2115 2634.8992 0.0000 0.0000 52236.1327 -108996.3987 300.2018 -161232.5314 -108637.6336 300.3962 58.9934 95.7882 762683.4220 -11.3759 -11.2707 PRESSURE: 664800 -139.46 -112.295 -339.47 -112.295 182.757 216.577 -339.469 216.578 -222.41 GPRESSURE: 664800 -71.6071 -126.229 -386.548 -212.746 142.786 324.083 -250.069 130.323 -165.457 PRESSAVG: 664800 -22.8011 4.52697 -26.9944 4.52703 -16.838 -38.708 -26.9944 -38.708 -0.756859 GPRESSAVG: 664800 -22.1042 3.89108 -28.1278 4.1365 -16.8348 -37.1378 -25.4658 -39.1095 -2.09779 TIMING: 664800 CPU: 2095.01, 0.00316131/step Wall: 2095.01, 0.00316131/step, 3.80692 hours remaining, 234.039062 MB of memory in use. ENERGY: 664800 4079.7729 20683.2770 14471.5945 253.4284 -203311.8766 2508.5819 0.0000 0.0000 52163.5426 -109151.6794 299.7846 -161315.2220 -108799.0516 300.5345 -59.7044 -31.4260 761181.9066 -13.4653 -13.6789 PRESSURE: 665000 -365.696 -147.15 49.9945 -147.149 -6.6392 1.14974 49.9946 1.15002 92.1817 GPRESSURE: 665000 -342.577 -82.5269 15.6676 -151.366 39.3592 81.8586 72.5419 17.4738 100.51 PRESSAVG: 665000 -27.5071 5.23775 29.3933 5.23782 64.7891 11.5224 29.3933 11.5224 -27.8887 GPRESSAVG: 665000 -26.8822 6.78679 29.3533 4.78029 65.7613 13.7477 31.6258 9.54981 -29.7142 TIMING: 665000 CPU: 2095.64, 0.00316704/step Wall: 2095.64, 0.00316704/step, 3.81364 hours remaining, 234.039062 MB of memory in use. ENERGY: 665000 3934.5739 20546.2550 14548.1558 259.0814 -203321.1484 2556.2675 0.0000 0.0000 52176.6214 -109300.1934 299.8598 -161476.8148 -108922.8758 300.2908 -93.3845 -67.5691 761116.2504 3.1311 3.0550 PRESSURE: 665200 -485.936 -181.651 -33.5364 -181.651 -68.8256 36.0526 -33.5368 36.0523 -278.806 GPRESSURE: 665200 -515.929 -149.212 -55.1292 -104.514 16.295 2.85535 -59.6543 -165.344 -235.777 PRESSAVG: 665200 -27.8731 -9.16866 29.1383 -9.16863 28.524 13.6901 29.1383 13.6901 -5.77642 GPRESSAVG: 665200 -28.0047 -7.70575 31.035 -9.24775 26.6126 10.5374 28.2205 14.3371 -3.33438 TIMING: 665200 CPU: 2096.27, 0.00315892/step Wall: 2096.27, 0.00315892/step, 3.8037 hours remaining, 234.039062 MB of memory in use. ENERGY: 665200 4097.2376 20744.0155 14467.4604 238.7761 -203313.0611 2534.9860 0.0000 0.0000 52194.8108 -109035.7746 299.9643 -161230.5854 -108671.4068 299.8423 -277.8561 -245.1370 762069.5265 -1.7085 -1.5755 PRESSURE: 665400 -26.4123 136.73 132.956 136.731 158.498 267.478 132.955 267.476 128.703 GPRESSURE: 665400 -1.19737 163.412 66.476 82.831 239.521 310.546 181.183 230.64 99.1993 PRESSAVG: 665400 -40.6044 43.6682 -15.1716 43.6682 87.8121 55.698 -15.1716 55.6979 18.3924 GPRESSAVG: 665400 -39.6385 43.5401 -16.4989 41.7698 87.4425 55.7775 -13.2069 55.7363 17.9503 TIMING: 665400 CPU: 2096.91, 0.00316195/step Wall: 2096.91, 0.00316195/step, 3.80716 hours remaining, 234.039062 MB of memory in use. ENERGY: 665400 4015.0598 20622.0324 14358.6215 266.0213 -203413.5089 2778.7832 0.0000 0.0000 52258.8265 -109114.1642 300.3322 -161372.9906 -108745.1816 300.4675 86.9295 112.5078 762829.4311 21.8667 21.9181 PRESSURE: 665600 116.479 -0.327741 -117.65 -0.327628 -344.666 -76.5538 -117.65 -76.5535 41.3835 GPRESSURE: 665600 84.2809 -91.6793 -92.3604 29.8365 -249.727 -70.2808 -82.3416 -104.331 55.8422 PRESSAVG: 665600 -29.5348 59.2736 -16.56 59.2737 29.5954 -29.4851 -16.56 -29.4851 -14.6134 GPRESSAVG: 665600 -30.5266 56.4327 -16.5009 59.8071 30.7458 -28.445 -17.4196 -28.0655 -15.0073 TIMING: 665600 CPU: 2097.54, 0.00316251/step Wall: 2097.54, 0.00316251/step, 3.80766 hours remaining, 234.039062 MB of memory in use. ENERGY: 665600 4078.6138 20513.8100 14490.3245 254.4980 -202493.4927 2382.7832 0.0000 0.0000 51753.3731 -109020.0902 297.4273 -160773.4633 -108662.0857 299.7576 -62.2679 -36.5348 762400.3813 -4.8509 -4.9293 PRESSURE: 665800 -14.002 102.642 126.896 102.642 -29.2479 -89.1727 126.897 -89.1721 -9.01919 GPRESSURE: 665800 -95.6163 52.6833 92.3311 -19.8995 59.3147 -78.4077 152.594 -130.698 45.3784 PRESSAVG: 665800 35.1404 33.0319 2.18416 33.032 -35.9438 19.7538 2.18418 19.7538 -3.7533 GPRESSAVG: 665800 35.5112 32.8048 1.4444 33.6857 -35.3782 19.6945 2.39231 18.5238 -4.55027 TIMING: 665800 CPU: 2098.17, 0.00313727/step Wall: 2098.17, 0.00313727/step, 3.77709 hours remaining, 234.039062 MB of memory in use. ENERGY: 665800 3957.5898 20689.1556 14491.7296 243.5528 -203251.8799 2662.2785 0.0000 0.0000 52082.0824 -109125.4912 299.3164 -161207.5736 -108766.6700 300.1752 -17.4230 3.0256 761173.8129 -1.5189 -1.4724 PRESSURE: 666000 181.608 -194.008 -82.3015 -194.009 136.562 57.6627 -82.302 57.6635 82.7897 GPRESSURE: 666000 211.386 -219.605 -25.8793 -239.517 172.382 52.5238 -243.087 171.896 110.896 PRESSAVG: 666000 -4.69305 5.136 26.9681 5.13598 37.1984 21.4737 26.9681 21.4738 6.00366 GPRESSAVG: 666000 -4.81831 7.97617 28.2466 3.81985 35.5633 22.0508 27.2354 21.9419 7.50629 TIMING: 666000 CPU: 2098.79, 0.00314224/step Wall: 2098.79, 0.00314223/step, 3.7829 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: 666000 3915.3265 20562.8013 14406.0511 246.9071 -203085.4140 2387.8906 0.0000 0.0000 52388.2837 -109178.1539 301.0762 -161566.4375 -108814.0930 299.7284 133.6532 164.8881 760865.9519 12.8364 12.7504 PRESSURE: 666200 -33.8805 -137.765 83.8382 -137.765 -371.276 -51.6343 83.8391 -51.6346 98.3065 GPRESSURE: 666200 39.4075 -97.6929 134.822 -160.103 -349.928 -9.90182 -18.1134 -289.127 94.3439 PRESSAVG: 666200 -29.792 7.31256 -8.02612 7.31257 -9.73806 21.9721 -8.02615 21.9721 -16.7566 GPRESSAVG: 666200 -28.4789 4.99499 -8.60303 9.46056 -9.71855 22.4038 -7.93431 20.8216 -18.0576 TIMING: 666200 CPU: 2099.43, 0.00315609/step Wall: 2099.43, 0.00315609/step, 3.79941 hours remaining, 234.039062 MB of memory in use. ENERGY: 666200 4030.8307 20576.1619 14453.7884 256.4894 -202854.8427 2454.0219 0.0000 0.0000 51878.8525 -109204.6978 298.1485 -161083.5503 -108853.0007 299.6885 -102.2832 -72.0590 762146.2734 -18.7622 -18.7517 PRESSURE: 666400 44.5918 72.4086 -22.4787 72.4079 168.34 -31.8651 -22.478 -31.8645 111.779 GPRESSURE: 666400 87.1263 -7.29875 -104.95 101.562 177.37 -26.4923 -175.638 -1.7492 147.464 PRESSAVG: 666400 -21.2295 24.906 -13.9732 24.906 -33.5584 -60.1561 -13.9732 -60.1561 7.09279 GPRESSAVG: 666400 -21.1949 26.1868 -14.8237 25.8079 -33.7755 -61.904 -13.7828 -57.6968 7.5107 TIMING: 666400 CPU: 2100.05, 0.00314841/step Wall: 2100.05, 0.00314841/step, 3.78999 hours remaining, 234.039062 MB of memory in use. ENERGY: 666400 4008.9887 20720.8782 14538.5062 248.7591 -203476.1857 2863.0030 0.0000 0.0000 52195.9019 -108900.1487 299.9706 -161096.0506 -108541.0607 300.2780 108.2370 137.3200 761760.3851 -15.8984 -15.8199 PRESSURE: 666600 -374.451 -170.661 6.97946 -170.662 -337.629 55.2736 6.98006 55.2741 -334.433 GPRESSURE: 666600 -399.044 -93.3673 -33.6967 -239.324 -233.963 51.1288 111.994 -14.0293 -318.501 PRESSAVG: 666600 -48.1228 9.05207 34.9507 9.05217 76.4644 -11.8664 34.9506 -11.8664 -1.07642 GPRESSAVG: 666600 -50.2586 9.81784 36.4994 5.19004 78.5671 -10.6219 36.4369 -12.2247 -1.20343 TIMING: 666600 CPU: 2100.69, 0.0031602/step Wall: 2100.69, 0.0031602/step, 3.80401 hours remaining, 234.039062 MB of memory in use. ENERGY: 666600 4080.0367 20743.0892 14464.4238 219.5511 -203005.2583 2338.7576 0.0000 0.0000 52348.7032 -108810.6968 300.8487 -161159.3999 -108444.4145 300.7845 -348.8377 -317.1691 760933.9062 9.0884 9.0350 PRESSURE: 666800 -93.4015 -85.422 -78.5393 -85.4214 -352.647 35.06 -78.5387 35.0603 380.623 GPRESSURE: 666800 -108.476 -67.7835 -44.0014 -106.527 -199.13 50.3863 -55.4348 -27.7505 342.511 PRESSAVG: 666800 20.2036 19.7578 -23.1733 19.7578 20.4645 -15.3671 -23.1733 -15.3671 12.2969 GPRESSAVG: 666800 20.8768 20.3452 -24.7765 22.2019 20.2947 -15.6838 -25.82 -15.545 11.7711 TIMING: 666800 CPU: 2101.32, 0.00314282/step Wall: 2101.32, 0.00314282/step, 3.78291 hours remaining, 234.039062 MB of memory in use. ENERGY: 666800 3991.6062 20605.6213 14440.8489 242.7153 -203010.9600 2435.4285 0.0000 0.0000 52316.0399 -108978.6999 300.6610 -161294.7397 -108613.0652 300.6808 -21.8084 11.6351 761380.7625 17.6550 17.6475 PRESSURE: 667000 74.3051 139.929 28.826 139.93 -6.94676 122.39 28.8252 122.391 41.1077 GPRESSURE: 667000 122.81 147.623 89.6248 48.7117 32.6601 138.75 -3.82642 55.2978 38.0793 PRESSAVG: 667000 25.1026 75.7963 -23.5116 75.7964 10.2645 -29.15 -23.5116 -29.15 14.4247 GPRESSAVG: 667000 23.6445 73.3075 -22.522 74.4962 10.0851 -28.2091 -22.0986 -30.9727 15.5256 TIMING: 667000 CPU: 2101.95, 0.00315383/step Wall: 2101.95, 0.00315383/step, 3.79599 hours remaining, 234.039062 MB of memory in use. ENERGY: 667000 3978.3489 20557.0623 14479.4941 246.8893 -202889.0617 2302.5326 0.0000 0.0000 52413.3895 -108911.3451 301.2205 -161324.7345 -108552.7227 300.8307 36.1554 64.5165 761463.4413 16.5973 16.4184 PRESSURE: 667200 -124.136 -26.2631 28.4402 -26.2639 0.913461 214.221 28.4402 214.221 341.977 GPRESSURE: 667200 90.1397 79.3264 118.287 -26.6635 -90.5642 296.554 55.1292 169.698 299.779 PRESSAVG: 667200 -25.0761 46.8393 -2.85434 46.8393 -33.9139 17.044 -2.85434 17.044 2.70241 GPRESSAVG: 667200 -23.9472 49.9804 -3.05652 47.5516 -34.8119 14.2515 -5.82712 18.6368 2.55992 TIMING: 667200 CPU: 2102.57, 0.00314202/step Wall: 2102.57, 0.00314202/step, 3.7816 hours remaining, 234.039062 MB of memory in use. ENERGY: 667200 3872.6417 20550.6219 14469.1926 266.1587 -203012.9608 2548.0689 0.0000 0.0000 52355.3890 -108950.8879 300.8871 -161306.2770 -108583.2556 299.9919 72.9183 99.7849 760161.3767 -18.7625 -18.7331 PRESSURE: 667400 -42.4895 65.9709 -50.424 65.9716 -193.718 -40.9664 -50.4235 -40.9677 -73.9762 GPRESSURE: 667400 -19.0116 47.4466 24.1123 120.068 -87.8715 3.56747 -140.613 -180.551 -124.521 PRESSAVG: 667400 -23.5016 21.8758 22.2881 21.8758 59.5403 -20.591 22.2881 -20.591 -21.8323 GPRESSAVG: 667400 -23.3646 19.6336 24.5569 21.2152 60.2089 -20.2662 23.0857 -19.2001 -22.4707 TIMING: 667400 CPU: 2103.2, 0.00313163/step Wall: 2103.2, 0.00313164/step, 3.76892 hours remaining, 234.039062 MB of memory in use. ENERGY: 667400 3971.4441 20701.3555 14401.8465 265.7689 -202986.2875 2349.9431 0.0000 0.0000 52244.1273 -109051.8020 300.2477 -161295.9293 -108703.5120 300.7101 -103.3947 -77.1348 760760.0185 4.7355 4.7912 PRESSURE: 667600 23.359 96.2122 173.484 96.2123 181.766 -28.5435 173.484 -28.5439 -73.3162 GPRESSURE: 667600 25.0777 52.1262 121.368 208.157 231.501 -90.3059 150.859 83.9202 -40.4898 PRESSAVG: 667600 -22.5603 -8.0083 -4.5699 -8.00827 31.8078 -31.6779 -4.56992 -31.6779 -4.9726 GPRESSAVG: 667600 -22.1739 -6.79444 -4.00364 -9.25768 30.3653 -32.9874 -4.22106 -33.1362 -4.601 TIMING: 667600 CPU: 2103.83, 0.00313133/step Wall: 2103.83, 0.00313133/step, 3.76838 hours remaining, 234.039062 MB of memory in use. ENERGY: 667600 3926.1533 20517.2160 14471.9277 254.5269 -203796.3939 2941.1809 0.0000 0.0000 52287.7625 -109397.6265 300.4985 -161685.3890 -109039.5439 300.0782 43.9364 72.0297 760685.0307 1.4250 1.1968 PRESSURE: 667800 506.078 29.4787 47.5583 29.4792 180.098 -173.269 47.5583 -173.267 10.0917 GPRESSURE: 667800 419.465 -12.9664 62.3279 -41.4209 351.399 -122.322 38.7065 -290.836 11.333 PRESSAVG: 667800 20.5895 -22.488 -8.96738 -22.4881 6.81663 6.45752 -8.9673 6.45751 1.9564 GPRESSAVG: 667800 20.5062 -23.7142 -11.2333 -21.8077 6.83313 6.50646 -6.98883 7.14933 1.55743 TIMING: 667800 CPU: 2104.45, 0.00312604/step Wall: 2104.45, 0.00312604/step, 3.76184 hours remaining, 234.039062 MB of memory in use. ENERGY: 667800 4002.7968 20428.6593 14451.5824 237.8857 -203218.7804 2672.5305 0.0000 0.0000 51967.9378 -109457.3879 298.6605 -161425.3257 -109105.7273 299.0939 232.0892 260.7323 760073.3557 9.7875 9.6323 PRESSURE: 668000 -101.951 21.5673 -144.253 21.5684 22.5997 -61.6017 -144.251 -61.6008 175.528 GPRESSURE: 668000 -121.055 62.6724 -137.69 215.95 104.761 -106.453 -36.1457 -40.9391 214.011 PRESSAVG: 668000 -27.4173 -1.04807 -21.1853 -1.04799 18.6997 31.6188 -21.1853 31.6188 -2.33068 GPRESSAVG: 668000 -28.3497 -0.760694 -21.2096 0.771607 19.7508 32.273 -22.3459 29.5453 -2.40642 TIMING: 668000 CPU: 2105.08, 0.00314235/step Wall: 2105.08, 0.00314235/step, 3.78129 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: 668000 3971.7044 20510.0601 14446.4855 253.9044 -203257.5363 2591.9069 0.0000 0.0000 51906.2563 -109577.2188 298.3060 -161483.4751 -109216.2713 298.7039 32.0589 65.9057 761694.8167 -3.6828 -3.6684 PRESSURE: 668200 -540.661 14.848 -74.4103 14.8475 98.6628 11.6798 -74.4105 11.68 62.95 GPRESSURE: 668200 -378.923 9.0901 -133.75 -11.9319 95.3511 46.6132 -7.68201 8.54911 -18.2673 PRESSAVG: 668200 -25.4166 13.295 -37.4206 13.295 -12.885 13.9229 -37.4206 13.9228 14.2773 GPRESSAVG: 668200 -24.4364 12.233 -38.6539 12.6538 -14.1836 15.8385 -36.4889 14.3285 14.3628 TIMING: 668200 CPU: 2105.71, 0.00313942/step Wall: 2105.71, 0.00313943/step, 3.7776 hours remaining, 234.039062 MB of memory in use. ENERGY: 668200 3953.3080 20431.7267 14463.2922 258.4046 -202981.7376 2345.4344 0.0000 0.0000 52067.5385 -109462.0331 299.2329 -161529.5717 -109096.4019 298.9004 -126.3495 -100.6132 762122.9094 -8.0081 -8.0857 LDB: ============= START OF LOAD BALANCING ============== 2118.16 LDB: ============== END OF LOAD BALANCING =============== 2118.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2118.16 LDB: ============= START OF LOAD BALANCING ============== 2118.48 LDB: Largest compute 7026 load 0.036104 is 18.5% of average load 0.195030 LDB: Average compute 0.004388 is 2.2% of average load 0.195030 LDB: TIME 2118.48 LOAD: AVG 0.19503 MAX 0.218686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.551 MB LDB: TIME 2118.48 LOAD: AVG 0.19503 MAX 0.218686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: TIME 2118.48 LOAD: AVG 0.19503 MAX 0.216676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.551 MB LDB: ============== END OF LOAD BALANCING =============== 2118.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2118.49 PRESSURE: 668400 114.209 -24.7865 70.7228 -24.787 170.601 -184.107 70.723 -184.108 -175.512 GPRESSURE: 668400 152.331 -4.67998 114.699 -137.345 208.059 -135.064 -90.3438 -98.866 -161.197 PRESSAVG: 668400 -17.5134 -24.7746 42.9313 -24.7746 67.2681 30.354 42.9313 30.3539 -18.0165 GPRESSAVG: 668400 -17.4847 -23.952 44.8181 -24.2033 66.9063 29.65 40.9614 29.3511 -17.9427 TIMING: 668400 CPU: 2106.35, 0.00321459/step Wall: 2106.35, 0.00321459/step, 3.86787 hours remaining, 234.789062 MB of memory in use. ENERGY: 668400 3981.2971 20468.6715 14502.5346 234.1818 -203818.3724 2911.0132 0.0000 0.0000 52133.1409 -109587.5333 299.6099 -161720.6742 -109230.9172 299.3135 36.4324 66.3976 759737.0297 10.5794 10.4930 PRESSURE: 668600 -375.723 135.223 -131.728 135.223 -146.947 -116.034 -131.728 -116.033 2.15177 GPRESSURE: 668600 -322.449 152.878 -190.738 135.514 -69.3402 -101.609 1.04327 -83.5382 -41.3846 PRESSAVG: 668600 10.931 6.21459 68.8724 6.21456 -27.4554 15.458 68.8723 15.4581 10.6843 GPRESSAVG: 668600 9.52073 5.79356 67.4017 4.46328 -26.1344 13.4511 67.1267 18.0962 10.1652 TIMING: 668600 CPU: 2106.98, 0.0031486/step Wall: 2106.98, 0.0031486/step, 3.7883 hours remaining, 234.789062 MB of memory in use. ENERGY: 668600 3978.7407 20556.7429 14437.8931 252.4020 -202862.5599 2365.5364 0.0000 0.0000 51877.9255 -109393.3194 298.1432 -161271.2449 -109022.2585 299.0256 -173.5060 -144.3912 762189.4571 -1.9467 -2.1495 PRESSURE: 668800 122.427 88.3537 5.72347 88.3528 242.08 94.7935 5.72323 94.7931 65.4349 GPRESSURE: 668800 128.457 35.4189 -0.970659 -23.5143 228.251 7.46178 15.5819 37.6145 155.191 PRESSAVG: 668800 27.7047 65.2168 -8.3538 65.2168 -12.6309 10.7327 -8.35383 10.7327 1.7223 GPRESSAVG: 668800 28.631 64.4266 -7.9096 66.2942 -14.2857 12.5888 -7.53664 11.2847 2.31508 TIMING: 668800 CPU: 2107.61, 0.00314369/step Wall: 2107.61, 0.00314369/step, 3.7822 hours remaining, 234.789062 MB of memory in use. ENERGY: 668800 3936.5171 20440.9115 14478.1487 262.4566 -203176.6150 2470.3119 0.0000 0.0000 52054.7315 -109533.5378 299.1593 -161588.2692 -109171.3681 298.9195 143.3140 170.6332 760608.7428 5.5987 5.5535 PRESSURE: 669000 387.672 -73.6143 25.3879 -73.613 105.832 -237.482 25.3882 -237.483 -290.57 GPRESSURE: 669000 314.758 -168.764 34.1364 -57.1972 159.265 -208.958 116.522 -139.65 -175.05 PRESSAVG: 669000 43.9887 -18.4083 40.7608 -18.4083 -16.2542 0.909471 40.7608 0.909465 10.7982 GPRESSAVG: 669000 43.623 -19.5821 40.3959 -20.0344 -16.1914 0.215125 42.5441 0.109636 10.8841 TIMING: 669000 CPU: 2108.24, 0.00314968/step Wall: 2108.24, 0.00314968/step, 3.78923 hours remaining, 234.789062 MB of memory in use. ENERGY: 669000 3837.7418 20522.7258 14462.0653 251.2607 -203426.0483 2519.1369 0.0000 0.0000 52203.1088 -109630.0090 300.0120 -161833.1177 -109272.6141 298.8976 67.6446 99.6579 760577.0508 12.8442 12.7719 PRESSURE: 669200 10.5359 -20.3081 -244.287 -20.3078 -62.9275 -249.547 -244.287 -249.546 31.8349 GPRESSURE: 669200 27.6514 52.0324 -279.938 17.4669 36.009 -214.54 -46.4232 -239.672 2.23634 PRESSAVG: 669200 -14.0209 0.515749 56.9556 0.515724 38.1922 2.45254 56.9556 2.45251 -0.806906 GPRESSAVG: 669200 -13.9803 2.43789 56.8612 1.30595 38.2058 3.48423 57.1112 -0.337049 -1.45738 TIMING: 669200 CPU: 2108.87, 0.00315715/step Wall: 2108.87, 0.00315715/step, 3.79805 hours remaining, 234.789062 MB of memory in use. ENERGY: 669200 4023.3186 20462.5085 14428.4828 255.0985 -202752.6008 2161.0085 0.0000 0.0000 51835.1715 -109587.0125 297.8974 -161422.1840 -109245.2188 298.6245 -6.8523 21.9656 759863.4984 7.7881 7.5894 PRESSURE: 669400 -78.1754 161.117 38.8226 161.117 -99.2498 -30.5221 38.8243 -30.5225 144.85 GPRESSURE: 669400 -104.687 148.154 -58.5579 89.741 10.7594 -104.522 95.6054 46.4046 149.78 PRESSAVG: 669400 17.3002 16.9288 -33.7934 16.9289 -8.57445 44.8538 -33.7933 44.8538 4.28063 GPRESSAVG: 669400 16.2728 16.3532 -33.0098 17.8299 -7.72908 45.103 -33.7398 46.9553 4.36529 TIMING: 669400 CPU: 2109.5, 0.00316665/step Wall: 2109.5, 0.00316665/step, 3.80931 hours remaining, 234.789062 MB of memory in use. ENERGY: 669400 4014.1918 20446.0836 14427.2395 236.4471 -203443.2044 2684.3560 0.0000 0.0000 51782.0810 -109852.8054 297.5923 -161634.8864 -109487.5331 298.0990 -10.8584 18.6174 758772.7711 4.3355 4.3030 PRESSURE: 669600 -105.93 253.4 4.76043 253.401 66.6495 45.784 4.75999 45.783 -309.242 GPRESSURE: 669600 -2.69555 293.717 75.3754 182.911 33.2376 49.5849 -17.1568 57.1852 -303.454 PRESSAVG: 669600 27.3968 32.7862 39.2373 32.7863 8.00356 -3.22697 39.2373 -3.22699 -14.7222 GPRESSAVG: 669600 28.5627 32.0429 37.6787 32.6896 7.23704 -3.14409 38.6943 -1.73498 -15.0608 TIMING: 669600 CPU: 2110.14, 0.00315817/step Wall: 2110.14, 0.00315817/step, 3.79893 hours remaining, 234.789062 MB of memory in use. ENERGY: 669600 3971.1236 20537.4123 14472.7984 242.9568 -203349.6622 2420.5709 0.0000 0.0000 51978.0220 -109726.7783 298.7184 -161704.8003 -109381.2911 298.1140 -116.1739 -90.9706 761156.3308 6.8927 6.9130 PRESSURE: 669800 -235.622 -32.7723 42.4976 -32.7713 -94.8959 -43.6651 42.4976 -43.6657 93.1436 GPRESSURE: 669800 -142.733 40.0369 16.8837 -152.69 -90.9017 -63.7851 5.95834 -34.11 92.6007 PRESSAVG: 669800 72.8883 52.5015 14.1909 52.5015 -38.3937 10.1164 14.1909 10.1163 3.70193 GPRESSAVG: 669800 71.9696 54.5107 15.9043 51.0835 -37.1668 10.487 15.1128 8.83462 3.61314 TIMING: 669800 CPU: 2110.77, 0.00315105/step Wall: 2110.77, 0.00315105/step, 3.79018 hours remaining, 234.789062 MB of memory in use. ENERGY: 669800 3931.1586 20494.8450 14423.1208 257.9347 -203284.0188 2464.6869 0.0000 0.0000 52020.4923 -109691.7804 298.9625 -161712.2727 -109333.5805 298.5013 -79.1247 -47.0112 760360.5678 12.7322 12.8053 PRESSURE: 670000 -287.66 73.9247 220.035 73.9245 -257.897 41.2442 220.035 41.2448 11.7633 GPRESSURE: 670000 -217.095 31.105 234.618 127.733 -326.387 -2.31362 156.137 -132.685 99.8897 PRESSAVG: 670000 -45.3663 0.790801 -3.67251 0.790777 19.1176 32.4197 -3.67254 32.4197 -3.06797 GPRESSAVG: 670000 -46.0447 -0.686199 -4.46394 1.10282 20.2321 32.6479 -5.40312 30.9055 -3.4269 TIMING: 670000 CPU: 2111.39, 0.00313752/step Wall: 2111.39, 0.00313752/step, 3.77373 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: 670000 4004.2080 20566.0989 14504.9921 250.2358 -203830.1117 2783.4953 0.0000 0.0000 52081.8495 -109639.2322 299.3151 -161721.0817 -109279.4618 298.8230 -177.9311 -147.8642 758490.7114 -9.7722 -9.7465 PRESSURE: 670200 -289.931 38.569 -72.9586 38.5695 -116.487 104.215 -72.958 104.215 55.1392 GPRESSURE: 670200 -302.581 61.41 -10.7733 10.3134 -55.7931 184.906 -176.916 68.9504 77.5518 PRESSAVG: 670200 -3.40983 14.5004 -5.73475 14.5003 -34.5205 -5.89511 -5.73476 -5.89507 -14.8111 GPRESSAVG: 670200 -0.877362 15.0299 -4.66661 15.3375 -37.6172 -7.0445 -5.12663 -4.49339 -13.9245 TIMING: 670200 CPU: 2112.03, 0.00317182/step Wall: 2112.03, 0.00317182/step, 3.81482 hours remaining, 234.789062 MB of memory in use. ENERGY: 670200 4012.7489 20426.9919 14473.5524 238.3289 -203040.7584 2336.9895 0.0000 0.0000 52059.5213 -109492.6255 299.1868 -161552.1468 -109130.3729 299.3250 -117.0928 -93.6073 761809.4774 -17.5805 -17.4730 PRESSURE: 670400 -106.774 35.9716 -114.228 35.9714 -132.743 -346.988 -114.228 -346.988 -362.698 GPRESSURE: 670400 -28.9925 -47.1599 -197.157 -1.08129 -122.739 -264.43 -16.5336 -179.494 -369.69 PRESSAVG: 670400 -6.02155 41.1795 9.98891 41.1796 15.2839 24.6567 9.9889 24.6567 -23.3839 GPRESSAVG: 670400 -5.97118 38.549 8.51385 40.7566 16.2763 25.8349 11.8762 25.7934 -23.9164 TIMING: 670400 CPU: 2112.67, 0.00318511/step Wall: 2112.67, 0.00318511/step, 3.83063 hours remaining, 234.789062 MB of memory in use. ENERGY: 670400 4029.8979 20576.5672 14440.4779 250.1534 -203256.3876 2493.0481 0.0000 0.0000 52182.5532 -109283.6898 299.8939 -161466.2431 -108930.5817 299.4296 -200.7384 -173.8071 760257.0341 -4.7072 -4.5371 PRESSURE: 670600 2.61876 264.436 -126.611 264.437 72.5794 -256.51 -126.612 -256.509 13.2995 GPRESSURE: 670600 -40.383 216.586 11.8069 314.842 130.552 -190.054 -60.6469 -212.608 56.0456 PRESSAVG: 670600 -27.9337 12.6924 19.4906 12.6924 12.6805 9.681 19.4906 9.68093 20.9426 GPRESSAVG: 670600 -28.3745 12.1325 21.3907 12.8016 11.9056 9.96855 17.8522 10.4588 21.5687 TIMING: 670600 CPU: 2113.3, 0.00319608/step Wall: 2113.3, 0.00319608/step, 3.84364 hours remaining, 234.789062 MB of memory in use. ENERGY: 670600 4044.6025 20456.0700 14443.0721 260.9229 -203218.3772 2477.3625 0.0000 0.0000 52177.6742 -109358.6730 299.8658 -161536.3473 -109002.8153 299.5948 29.4992 48.7383 761288.6570 1.8965 1.6999 PRESSURE: 670800 -206.812 -33.4174 122.46 -33.4178 -23.8149 -167.552 122.461 -167.551 -335.044 GPRESSURE: 670800 -202.261 -97.4677 164.514 -49.5025 -7.63586 -184.547 99.8168 -215.45 -265.158 PRESSAVG: 670800 8.81116 57.6035 -29.2192 57.6035 16.3604 21.891 -29.2193 21.891 -1.26814 GPRESSAVG: 670800 7.25338 60.0555 -30.5192 56.0887 17.9353 21.2915 -28.2877 21.5796 -1.33824 TIMING: 670800 CPU: 2113.94, 0.00318794/step Wall: 2113.94, 0.00318794/step, 3.83368 hours remaining, 234.789062 MB of memory in use. ENERGY: 670800 4032.7261 20534.9848 14522.1991 228.5913 -203022.7340 2437.4129 0.0000 0.0000 51814.4677 -109452.3520 297.7785 -161266.8197 -109098.2911 299.0472 -188.5568 -158.3515 760976.8648 7.9678 7.9501 PRESSURE: 671000 -130.541 40.9284 38.9828 40.9274 -132.865 -19.8358 38.982 -19.8353 0.415389 GPRESSURE: 671000 -95.2329 -12.2825 10.9015 182.84 -119.102 50.0911 120.524 -28.439 40.7231 PRESSAVG: 671000 57.3099 56.5717 72.2361 56.5717 -64.3318 -22.4383 72.236 -22.4383 -12.4911 GPRESSAVG: 671000 57.7911 58.0361 73.5685 55.1025 -63.3235 -23.8063 70.0047 -21.1429 -13.6867 TIMING: 671000 CPU: 2114.58, 0.00318443/step Wall: 2114.58, 0.00318443/step, 3.82928 hours remaining, 234.789062 MB of memory in use. ENERGY: 671000 4001.2181 20547.1370 14471.2568 237.0703 -202953.8770 2312.8568 0.0000 0.0000 52006.3917 -109377.9463 298.8814 -161384.3380 -109022.1294 299.5719 -87.6635 -57.8704 760912.3405 -6.5043 -6.4063 PRESSURE: 671200 146.644 -63.6646 -76.3407 -63.6649 -87.5386 -354.104 -76.3407 -354.103 423.892 GPRESSURE: 671200 219.353 -34.5008 -57.2824 15.4193 -42.771 -347.902 -0.716479 -215.679 401.468 PRESSAVG: 671200 3.29574 16.3667 54.2353 16.3667 22.2268 -33.1731 54.2353 -33.1732 -1.01535 GPRESSAVG: 671200 3.04321 18.1846 51.367 18.0793 22.0264 -32.116 56.4788 -34.5821 -1.03084 TIMING: 671200 CPU: 2115.22, 0.00318169/step Wall: 2115.22, 0.00318169/step, 3.82581 hours remaining, 234.789062 MB of memory in use. ENERGY: 671200 3987.7486 20577.6521 14446.6271 250.5322 -203602.2786 2724.1062 0.0000 0.0000 52073.1766 -109542.4358 299.2653 -161615.6124 -109182.4355 299.3548 160.9990 192.6833 758888.3435 8.1690 8.0129 PRESSURE: 671400 -264.739 141.94 64.8866 141.94 88.616 50.8378 64.8869 50.8383 -175.681 GPRESSURE: 671400 -124.259 124.021 146.751 134.76 42.5179 53.0011 -96.1923 207.795 -195.483 PRESSAVG: 671400 -22.6543 45.3347 -15.4625 45.3347 6.85644 8.00351 -15.4625 8.00351 6.67582 GPRESSAVG: 671400 -21.4192 43.3943 -13.8806 46.2751 5.33694 7.478 -15.8429 10.7204 6.93122 TIMING: 671400 CPU: 2115.85, 0.00318884/step Wall: 2115.85, 0.00318884/step, 3.83422 hours remaining, 234.789062 MB of memory in use. ENERGY: 671400 4046.4712 20479.5102 14431.2780 243.2593 -203204.9061 2539.2903 0.0000 0.0000 52000.2435 -109464.8536 298.8461 -161465.0971 -109115.6054 299.1739 -117.2681 -92.4082 760387.8099 -3.0407 -3.0503 PRESSURE: 671600 67.6715 98.0723 -17.2631 98.0721 -399.853 -203.628 -17.2629 -203.629 90.885 GPRESSURE: 671600 142.195 88.748 29.47 51.8235 -332.695 -175.637 -109.532 -153.541 37.7416 PRESSAVG: 671600 -1.12739 21.1686 -33.1233 21.1686 -3.86747 16.2488 -33.1233 16.2488 -13.7792 GPRESSAVG: 671600 -2.51738 19.5624 -32.9207 21.8658 -3.08503 16.9255 -34.7798 13.8199 -12.6407 TIMING: 671600 CPU: 2116.49, 0.00320289/step Wall: 2116.49, 0.00320289/step, 3.85094 hours remaining, 234.789062 MB of memory in use. ENERGY: 671600 4020.6693 20523.3922 14409.8640 241.3211 -203279.1076 2746.4558 0.0000 0.0000 52202.1315 -109135.2738 300.0064 -161337.4052 -108771.5225 299.9360 -80.4322 -50.9196 760789.1199 -6.2580 -6.0810 PRESSURE: 671800 -31.9387 -34.7147 179.13 -34.7153 442.888 -301.975 179.129 -301.975 259.777 GPRESSURE: 671800 21.9309 -59.5937 93.243 -4.94728 432.31 -246.498 108.122 -336.212 285.198 PRESSAVG: 671800 18.4023 54.5575 -11.9058 54.5575 -4.48241 -5.44585 -11.9058 -5.44572 -6.58414 GPRESSAVG: 671800 19.0887 54.3 -12.2046 53.536 -4.37611 -4.79321 -9.65223 -6.93076 -8.12211 TIMING: 671800 CPU: 2117.13, 0.00318307/step Wall: 2117.13, 0.00318307/step, 3.82694 hours remaining, 234.789062 MB of memory in use. ENERGY: 671800 3974.5061 20635.1967 14442.7937 256.1479 -202980.3742 2369.0136 0.0000 0.0000 52083.3335 -109219.3826 299.3236 -161302.7161 -108861.8402 300.1375 223.5753 246.4796 758674.2783 2.4452 2.1968 PRESSURE: 672000 -177.667 17.3806 -106.393 17.3806 -115.912 112.774 -106.392 112.776 47.7507 GPRESSURE: 672000 -69.6338 -99.8551 -65.8376 43.8998 -108.343 73.0578 -23.7744 132.99 17.6355 PRESSAVG: 672000 -13.3764 21.1057 -20.3761 21.1057 0.811431 -43.1683 -20.3761 -43.1684 -0.0254954 GPRESSAVG: 672000 -13.6331 20.7964 -21.7244 20.1867 0.709809 -45.746 -19.9523 -40.7215 0.401148 TIMING: 672000 CPU: 2117.77, 0.0031764/step Wall: 2117.77, 0.0031764/step, 3.81874 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: 672000 3962.4348 20592.8975 14542.0083 251.2059 -202941.4130 2513.7869 0.0000 0.0000 52031.0252 -109048.0545 299.0230 -161079.0796 -108675.2038 299.6126 -81.9429 -53.4470 762577.2664 -4.1968 -4.1741 PRESSURE: 672200 -195.337 -38.5016 229.095 -38.5016 -98.6713 24.6937 229.096 24.6931 84.2573 GPRESSURE: 672200 -112.423 15.8254 187.372 -78.4512 -110.755 20.4841 173.649 -16.6722 121.816 PRESSAVG: 672200 -70.6335 51.788 -40.0823 51.788 34.0523 -34.409 -40.0823 -34.409 7.00176 GPRESSAVG: 672200 -70.3163 53.7133 -38.9473 54.565 33.2477 -32.1545 -41.603 -36.9193 7.74852 TIMING: 672200 CPU: 2118.4, 0.00317802/step Wall: 2118.4, 0.00317802/step, 3.82051 hours remaining, 234.789062 MB of memory in use. ENERGY: 672200 3928.5449 20578.3965 14485.4124 240.3271 -203003.2671 2451.2654 0.0000 0.0000 52220.6869 -109098.6338 300.1130 -161319.3207 -108737.9025 299.8795 -69.9170 -33.7872 763433.3157 -9.8598 -9.7734 LDB: ============= START OF LOAD BALANCING ============== 2130.86 LDB: ============== END OF LOAD BALANCING =============== 2130.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2130.86 LDB: ============= START OF LOAD BALANCING ============== 2131.17 LDB: Largest compute 7026 load 0.037557 is 19.3% of average load 0.194984 LDB: Average compute 0.004394 is 2.3% of average load 0.194984 LDB: TIME 2131.18 LOAD: AVG 0.194984 MAX 0.214148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.332 MB LDB: TIME 2131.18 LOAD: AVG 0.194984 MAX 0.214148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: TIME 2131.18 LOAD: AVG 0.194984 MAX 0.214148 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: ============== END OF LOAD BALANCING =============== 2131.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2131.19 PRESSURE: 672400 116.736 -10.9281 99.0477 -10.928 -191.566 -201.209 99.0476 -201.208 -127.042 GPRESSURE: 672400 107.094 51.4804 101.939 -43.0576 -132.436 -144.26 199.945 -133.579 -97.8151 PRESSAVG: 672400 3.02167 18.6548 42.946 18.6548 10.2911 -30.9904 42.946 -30.9904 -15.3756 GPRESSAVG: 672400 2.7286 18.057 44.0711 16.0961 10.448 -31.5719 43.9872 -28.8712 -15.839 TIMING: 672400 CPU: 2119.05, 0.00324596/step Wall: 2119.05, 0.00324595/step, 3.902 hours remaining, 235.492188 MB of memory in use. ENERGY: 672400 4013.2607 20619.7643 14505.2918 244.3719 -203307.6943 2798.9614 0.0000 0.0000 52135.5557 -108990.4884 299.6238 -161126.0441 -108633.0222 300.0756 -67.2909 -41.0526 760330.7231 -0.6876 -0.8875 PRESSURE: 672600 -24.0211 -70.9319 128.162 -70.9313 -150.241 80.9905 128.162 80.9911 -112.592 GPRESSURE: 672600 -60.8283 -179.483 242.471 23.8018 -85.7057 32.7597 34.8539 125.172 -50.2818 PRESSAVG: 672600 -15.8192 40.7577 9.45933 40.7576 30.5687 -24.176 9.45931 -24.1758 -15.0992 GPRESSAVG: 672600 -16.3001 38.4158 9.36041 41.5493 32.0342 -24.5462 8.93735 -23.6159 -15.3904 TIMING: 672600 CPU: 2119.68, 0.00316008/step Wall: 2119.68, 0.00316008/step, 3.79859 hours remaining, 235.492188 MB of memory in use. ENERGY: 672600 4004.7860 20601.4512 14516.8014 239.8375 -203128.0916 2648.7660 0.0000 0.0000 52061.0432 -109055.4064 299.1955 -161116.4495 -108687.2825 300.1344 -95.6181 -65.6053 758417.1634 -0.1166 0.1146 PRESSURE: 672800 -115.204 -77.7199 112.931 -77.7195 -222.458 -113.327 112.931 -113.326 -7.42995 GPRESSURE: 672800 -56.0715 57.7604 124.705 -1.32655 -178.441 -47.07 -10.6777 -254.703 -26.4699 PRESSAVG: 672800 -3.4995 16.0023 2.2702 16.0023 7.62106 -9.815 2.27016 -9.81494 10.4836 GPRESSAVG: 672800 -3.77344 18.1864 2.77769 15.1308 7.38753 -9.56971 2.079 -11.1215 10.6124 TIMING: 672800 CPU: 2120.31, 0.00316146/step Wall: 2120.31, 0.00316146/step, 3.80008 hours remaining, 235.492188 MB of memory in use. ENERGY: 672800 3994.7337 20577.0995 14500.7536 257.4779 -202750.6162 2161.9105 0.0000 0.0000 52162.3595 -109096.2815 299.7778 -161258.6411 -108740.3232 299.7728 -115.0307 -86.9942 760839.8450 4.8684 4.7422 PRESSURE: 673000 -116.987 77.3261 -150.108 77.3261 35.3488 29.4697 -150.109 29.4699 142.905 GPRESSURE: 673000 -7.90209 61.1249 -155.218 77.2855 28.9566 -61.9354 -140.453 16.2453 116.748 PRESSAVG: 673000 -44.2171 2.45775 -57.4129 2.45776 69.3128 -30.44 -57.4129 -30.44 5.02373 GPRESSAVG: 673000 -44.2203 2.90808 -58.6922 0.882713 67.8037 -28.7198 -57.9445 -30.5208 5.88646 TIMING: 673000 CPU: 2120.95, 0.00316887/step Wall: 2120.95, 0.00316887/step, 3.80881 hours remaining, 235.695312 MB of memory in use. ENERGY: 673000 3921.4746 20398.7931 14534.3778 252.2963 -203299.9786 2559.3308 0.0000 0.0000 52445.3305 -109188.3755 301.4040 -161633.7060 -108819.9663 300.0089 20.4223 45.9343 760374.6742 10.0398 9.8233 PRESSURE: 673200 -210.639 -96.611 -17.9234 -96.6109 -29.0144 80.1736 -17.923 80.173 -322.281 GPRESSURE: 673200 -183.824 -163.388 75.4164 -125.464 47.2846 149.286 -53.7595 80.6259 -341.83 PRESSAVG: 673200 62.31 -45.2251 -61.1559 -45.2251 -48.3134 9.4409 -61.1559 9.44087 7.98774 GPRESSAVG: 673200 62.6203 -45.6861 -60.0059 -43.3349 -47.8012 8.33955 -60.451 8.70637 7.33873 TIMING: 673200 CPU: 2121.58, 0.00316067/step Wall: 2121.58, 0.00316067/step, 3.79877 hours remaining, 235.703125 MB of memory in use. ENERGY: 673200 3975.0824 20480.6361 14442.8574 252.1496 -203058.6348 2235.5410 0.0000 0.0000 52328.2561 -109344.1122 300.7312 -161672.3683 -108974.9932 299.8380 -187.3114 -159.4565 760953.0036 7.3281 7.3859 PRESSURE: 673400 -53.7764 -241.84 57.1011 -241.84 -126.825 -201.395 57.1012 -201.395 17.6179 GPRESSURE: 673400 -18.751 -229.061 82.4385 -240.359 -36.1075 -173.736 -39.9379 -141.822 2.7302 PRESSAVG: 673400 -24.2786 -81.2071 -27.6069 -81.2071 9.52963 -36.5609 -27.6069 -36.5609 -4.4421 GPRESSAVG: 673400 -25.1643 -81.5975 -28.1662 -80.4956 9.68092 -37.5093 -27.7933 -36.9943 -3.87262 TIMING: 673400 CPU: 2122.22, 0.00317346/step Wall: 2122.22, 0.00317346/step, 3.81398 hours remaining, 235.703125 MB of memory in use. ENERGY: 673400 3979.5154 20419.5705 14420.0914 248.1579 -203153.6868 2636.9666 0.0000 0.0000 52099.1896 -109350.1954 299.4148 -161449.3850 -108978.7678 299.6540 -54.3279 -17.3761 760241.8161 -6.3970 -6.4520 PRESSURE: 673600 57.9365 150.631 -209.564 150.631 -16.0466 203.906 -209.565 203.906 326.962 GPRESSURE: 673600 105.574 149.683 -225.764 199.656 31.1601 161.473 -126.563 141.834 312.59 PRESSAVG: 673600 -10.1643 10.3569 -34.9571 10.3569 -0.483675 -10.3297 -34.9571 -10.3297 8.41607 GPRESSAVG: 673600 -9.85928 11.2738 -34.6321 9.36468 -1.18951 -10.3894 -36.4692 -9.51189 8.39733 TIMING: 673600 CPU: 2122.85, 0.00319202/step Wall: 2122.85, 0.00319202/step, 3.8361 hours remaining, 235.703125 MB of memory in use. ENERGY: 673600 3914.9801 20509.4444 14409.9406 250.8922 -203282.0499 2729.2971 0.0000 0.0000 52251.1380 -109216.3578 300.2880 -161467.4957 -108853.7322 299.7891 122.9506 149.7745 761452.3588 -0.7440 -0.8838 PRESSURE: 673800 124.792 106.193 201.529 106.193 -125.062 -105.823 201.528 -105.823 -412.485 GPRESSURE: 673800 135.691 39.159 155.675 67.5772 -55.3237 -151.321 387.637 -116.859 -404.247 PRESSAVG: 673800 4.85562 45.6997 -17.2611 45.6997 8.45686 7.13467 -17.2611 7.13469 11.5377 GPRESSAVG: 673800 4.71011 43.7781 -19.2338 46.5178 9.33614 7.37026 -16.6274 7.39367 11.0624 TIMING: 673800 CPU: 2123.49, 0.00317109/step Wall: 2123.49, 0.00317109/step, 3.81077 hours remaining, 235.703125 MB of memory in use. ENERGY: 673800 3933.0324 20495.6833 14396.4978 247.7863 -203134.6694 2478.1584 0.0000 0.0000 52272.4957 -109311.0156 300.4108 -161583.5113 -108939.2228 299.4011 -137.5850 -107.9598 761455.7403 8.2834 8.3695 PRESSURE: 674000 -43.8599 -54.609 275.493 -54.6081 36.9831 -201.205 275.493 -201.205 262.14 GPRESSURE: 674000 138.211 -71.4331 303.797 -23.331 72.116 -133.193 211.924 -158.53 132.555 PRESSAVG: 674000 -4.59644 21.587 -30.3644 21.587 -2.21531 22.3116 -30.3644 22.3116 24.7098 GPRESSAVG: 674000 -3.80734 21.9043 -28.0509 20.4226 -3.0067 22.261 -29.3518 22.0859 24.4165 TIMING: 674000 CPU: 2124.12, 0.00317021/step Wall: 2124.12, 0.00317021/step, 3.80954 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: 674000 4000.8221 20478.0893 14401.3807 245.6123 -203102.7150 2565.6543 0.0000 0.0000 52377.9453 -109033.2110 301.0168 -161411.1563 -108658.2438 299.5291 85.0876 114.2942 758873.7418 5.9660 5.8675 PRESSURE: 674200 -140.63 -124.82 33.7923 -124.82 -264.223 41.1269 33.7922 41.1274 -168.029 GPRESSURE: 674200 -111.095 -71.9487 162.02 -187.163 -248.526 42.7522 11.2665 18.5968 -124.333 PRESSAVG: 674200 38.3951 -2.95078 -15.38 -2.95077 -21.3168 15.4829 -15.38 15.4828 13.7135 GPRESSAVG: 674200 38.3131 -3.50635 -15.9043 -1.26377 -21.6615 14.8222 -16.6325 16.1966 14.2445 TIMING: 674200 CPU: 2124.76, 0.00317217/step Wall: 2124.76, 0.00317217/step, 3.81171 hours remaining, 235.703125 MB of memory in use. ENERGY: 674200 3948.3988 20581.9339 14494.5179 251.9203 -203018.7319 2452.5731 0.0000 0.0000 52075.0783 -109214.3095 299.2762 -161289.3878 -108851.6782 299.6841 -190.9608 -161.3180 761248.7541 10.2639 10.2987 PRESSURE: 674400 -528.405 -132.695 -144.44 -132.695 94.295 17.3587 -144.441 17.3583 -374.892 GPRESSURE: 674400 -400.176 -121.253 -127.128 -31.6293 18.9966 -54.9316 -58.172 -0.50063 -326.908 PRESSAVG: 674400 5.27652 6.78328 -9.64646 6.78327 -5.52385 -5.46364 -9.64647 -5.46373 -6.06087 GPRESSAVG: 674400 5.8706 7.40583 -9.02857 7.12406 -6.18788 -5.73685 -8.63416 -5.31313 -6.11151 TIMING: 674400 CPU: 2125.39, 0.00318204/step Wall: 2125.39, 0.00318204/step, 3.82339 hours remaining, 235.703125 MB of memory in use. ENERGY: 674400 4062.5614 20580.3565 14440.5905 246.1547 -203225.6924 2705.0798 0.0000 0.0000 52127.8670 -109063.0825 299.5796 -161190.9495 -108703.5192 300.4938 -269.6675 -236.0291 763580.0924 -2.1027 -2.1429 PRESSURE: 674600 -283.835 -62.7072 33.9931 -62.7075 -180.557 -97.1434 33.993 -97.1439 208.281 GPRESSURE: 674600 -229.61 2.51386 -22.9613 -99.2852 -214.37 -12.0734 22.5027 -271.362 261.908 PRESSAVG: 674600 -65.0378 -31.257 5.1719 -31.257 41.1354 24.0805 5.17188 24.0805 7.05969 GPRESSAVG: 674600 -65.5582 -30.9747 3.30799 -31.785 40.1956 25.4438 5.46244 21.1968 7.95463 TIMING: 674600 CPU: 2126.03, 0.00317719/step Wall: 2126.03, 0.00317719/step, 3.81739 hours remaining, 235.703125 MB of memory in use. ENERGY: 674600 3953.9413 20773.6297 14442.8866 255.7000 -203188.8140 2447.8873 0.0000 0.0000 52193.7461 -109121.0231 299.9582 -161314.7692 -108757.1633 300.3071 -85.3705 -60.6906 760882.4363 -5.6142 -5.8027 PRESSURE: 674800 -208.386 -148.008 97.397 -148.007 -219.725 -105.01 97.3966 -105.01 143.072 GPRESSURE: 674800 -151.406 -36.0903 123.45 -142.495 -230.598 -134.128 189.11 -22.5313 167.95 PRESSAVG: 674800 -47.6118 22.9768 -16.0089 22.9768 19.3861 -3.45886 -16.0089 -3.45887 15.0929 GPRESSAVG: 674800 -47.3635 21.9275 -14.5746 20.1893 20.9539 -3.53138 -18.1857 -1.84022 13.6349 TIMING: 674800 CPU: 2126.66, 0.00317854/step Wall: 2126.66, 0.00317854/step, 3.81884 hours remaining, 235.703125 MB of memory in use. ENERGY: 674800 4036.7595 20755.5294 14412.7297 263.0212 -203079.7731 2373.5799 0.0000 0.0000 52173.6555 -109064.4980 299.8427 -161238.1534 -108700.5922 300.1275 -95.0130 -71.3513 760470.2204 -4.3776 -4.2582 PRESSURE: 675000 29.5906 20.0913 29.6928 20.0916 6.17077 -172.32 29.693 -172.319 338.883 GPRESSURE: 675000 -2.07276 172.602 -57.6958 132.004 108.683 -116.157 -25.7044 -230.542 356.454 PRESSAVG: 675000 -20.869 28.7615 24.8005 28.7615 -19.0902 27.4078 24.8005 27.4077 2.7714 GPRESSAVG: 675000 -20.8103 29.3442 23.7663 31.5191 -19.1058 26.6803 24.2845 27.8303 2.90823 TIMING: 675000 CPU: 2127.31, 0.00320719/step Wall: 2127.31, 0.00320719/step, 3.85308 hours remaining, 235.703125 MB of memory in use. ENERGY: 675000 4079.1489 20677.0177 14518.8031 246.3811 -203318.2509 2585.6499 0.0000 0.0000 52200.4353 -109010.8148 299.9966 -161211.2501 -108648.2117 300.3174 124.8815 154.3547 759595.5898 -12.3959 -12.3360 PRESSURE: 675200 -553.692 -55.2139 -234.668 -55.2129 -13.9908 -180.386 -234.669 -180.387 -162.031 GPRESSURE: 675200 -477.922 14.9509 -211.36 -48.1342 21.4576 -170.507 -133.238 -222.846 -175.612 PRESSAVG: 675200 7.30349 55.7896 19.1234 55.7896 -4.8473 -29.9074 19.1234 -29.9074 -1.36355 GPRESSAVG: 675200 7.71033 54.9463 18.8975 53.4699 -4.73407 -27.9376 20.2591 -32.1083 -1.81895 TIMING: 675200 CPU: 2127.94, 0.0031893/step Wall: 2127.94, 0.00318931/step, 3.83142 hours remaining, 235.703125 MB of memory in use. ENERGY: 675200 4134.6756 20683.6771 14523.2638 244.4023 -203112.7368 2283.4844 0.0000 0.0000 52163.8723 -109079.3612 299.7865 -161243.2336 -108701.8582 300.9860 -243.2378 -210.6919 759929.6562 0.3642 0.3858 PRESSURE: 675400 3.84189 -34.4516 184.568 -34.4523 -87.4467 -223.128 184.568 -223.127 -259.318 GPRESSURE: 675400 53.4466 -132.767 141.938 44.0676 -55.4615 -200.189 75.6856 -35.6945 -241.829 PRESSAVG: 675400 2.87766 41.1202 -29.9012 41.1202 -22.6614 -1.05561 -29.9012 -1.05568 -11.9256 GPRESSAVG: 675400 2.34541 42.2256 -28.2849 41.5154 -21.5684 -3.08597 -30.0072 0.086661 -12.1229 TIMING: 675400 CPU: 2128.58, 0.00318868/step Wall: 2128.58, 0.00318868/step, 3.83049 hours remaining, 235.703125 MB of memory in use. ENERGY: 675400 4008.8850 20668.4420 14499.1499 250.3919 -203414.6299 2616.9408 0.0000 0.0000 52014.0701 -109356.7503 298.9256 -161370.8204 -108987.8077 300.1424 -114.3078 -81.2813 761320.8505 -10.5698 -10.4486 PRESSURE: 675600 5.93179 68.9523 135.172 68.9531 43.2391 -60.4483 135.171 -60.4473 -358.12 GPRESSURE: 675600 78.7982 78.3634 222.588 39.4014 54.3028 -8.68614 124.027 -23.4282 -349.573 PRESSAVG: 675600 37.7786 19.8404 -14.0515 19.8404 -52.8797 23.7663 -14.0516 23.7662 -17.8302 GPRESSAVG: 675600 38.2353 20.2943 -12.3585 20.199 -53.5604 24.3865 -15.2472 24.1009 -17.1527 TIMING: 675600 CPU: 2129.22, 0.00317531/step Wall: 2129.22, 0.00317531/step, 3.81425 hours remaining, 235.703125 MB of memory in use. ENERGY: 675600 4008.3918 20570.3607 14493.0328 255.9542 -203557.2166 2634.4140 0.0000 0.0000 52080.8003 -109514.2630 299.3091 -161595.0632 -109146.4523 299.4802 -102.9832 -72.1575 761131.3815 -10.9771 -10.8259 PRESSURE: 675800 -12.3806 -120.506 13.0443 -120.507 29.3128 115.21 13.0442 115.21 -313.468 GPRESSURE: 675800 -83.1937 -219.681 -48.9767 -223.701 168.498 93.6971 -10.8303 93.2887 -317.172 PRESSAVG: 675800 45.4283 12.5822 40.9496 12.5821 -25.3135 25.9361 40.9496 25.936 -3.23878 GPRESSAVG: 675800 44.2718 10.0119 40.6077 12.6623 -25.3009 27.2178 43.0948 27.3882 -2.33133 TIMING: 675800 CPU: 2129.85, 0.00316434/step Wall: 2129.85, 0.00316434/step, 3.8009 hours remaining, 235.703125 MB of memory in use. ENERGY: 675800 3980.0047 20545.7480 14493.1799 246.1996 -203362.4808 2391.6406 0.0000 0.0000 52174.6809 -109531.0271 299.8486 -161705.7080 -109164.7156 299.3080 -98.8452 -77.2895 759760.2715 5.6253 5.5465 PRESSURE: 676000 -126.121 60.1423 218.318 60.1426 354.19 72.2048 218.317 72.2043 -242.448 GPRESSURE: 676000 29.2888 85.9911 105.116 102.055 307.712 27.5898 155.774 113.716 -250.933 PRESSAVG: 676000 -30.336 -71.5349 19.8309 -71.5349 -5.91163 25.5874 19.8309 25.5875 0.387951 GPRESSAVG: 676000 -28.4929 -69.6431 19.1371 -71.192 -6.5594 24.7894 17.361 23.0794 -0.716143 TIMING: 676000 CPU: 2130.48, 0.00316958/step Wall: 2130.48, 0.00316958/step, 3.80702 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: 676000 4040.2023 20535.1934 14456.1934 221.7252 -203354.7038 2659.6067 0.0000 0.0000 52014.2683 -109427.5144 298.9267 -161441.7827 -109068.3492 299.4578 -4.7928 28.6891 761163.8354 -11.9532 -11.9228 PRESSURE: 676200 -55.4748 16.2999 -85.311 16.3006 -142.761 -92.873 -85.311 -92.8736 -210.878 GPRESSURE: 676200 -31.7313 72.6987 -137.697 56.3503 -119.399 -92.4969 -57.8246 -77.0057 -158.402 PRESSAVG: 676200 30.5338 -44.705 10.5095 -44.705 -41.0947 26.8353 10.5095 26.8352 12.8151 GPRESSAVG: 676200 28.7459 -45.1032 12.1723 -43.812 -39.1231 27.6712 9.55195 26.2761 12.5088 TIMING: 676200 CPU: 2131.12, 0.00318332/step Wall: 2131.12, 0.00318332/step, 3.82334 hours remaining, 235.703125 MB of memory in use. ENERGY: 676200 3976.0122 20763.1189 14456.3766 250.4015 -203013.3290 2345.6838 0.0000 0.0000 51885.2779 -109336.4580 298.1854 -161221.7360 -108986.1643 299.8049 -136.3711 -103.1776 760635.6051 0.7514 0.7106 LDB: ============= START OF LOAD BALANCING ============== 2143.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2143.58 LDB: =============== DONE WITH MIGRATION ================ 2143.58 LDB: ============= START OF LOAD BALANCING ============== 2143.89 LDB: Largest compute 7034 load 0.035591 is 18.2% of average load 0.195038 LDB: Average compute 0.004382 is 2.2% of average load 0.195038 LDB: TIME 2143.9 LOAD: AVG 0.195038 MAX 0.213945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.789 MB LDB: TIME 2143.9 LOAD: AVG 0.195038 MAX 0.213945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 2143.9 LOAD: AVG 0.195038 MAX 0.213945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 2143.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2143.9 PRESSURE: 676400 357.912 -51.4076 70.4567 -51.4078 -79.0319 -320.691 70.457 -320.691 382.087 GPRESSURE: 676400 371.645 -138.599 31.0685 -159.769 -15.5269 -370.277 53.7858 -175.429 382.822 PRESSAVG: 676400 -17.3407 48.2797 55.9101 48.2797 9.48781 -39.9351 55.9101 -39.9351 14.3718 GPRESSAVG: 676400 -15.6259 49.5304 53.881 45.5321 6.73919 -39.3735 58.9546 -39.4361 15.0118 TIMING: 676400 CPU: 2131.77, 0.00324615/step Wall: 2131.77, 0.00324615/step, 3.89863 hours remaining, 235.558594 MB of memory in use. ENERGY: 676400 3995.5421 20370.2226 14431.9715 238.3813 -203176.7299 2501.7734 0.0000 0.0000 52272.0934 -109366.7455 300.4084 -161638.8390 -108999.1904 299.6448 220.3223 246.3135 760528.3471 2.1729 2.0417 PRESSURE: 676600 -134.072 127.891 46.0283 127.892 -314.285 -60.7004 46.0278 -60.6993 149.024 GPRESSURE: 676600 -99.1528 118.833 65.4245 145.025 -237.353 -48.4861 29.1877 -99.9702 159.352 PRESSAVG: 676600 24.8508 34.4961 43.4344 34.4962 7.87746 66.9603 43.4344 66.9603 2.88606 GPRESSAVG: 676600 23.914 34.499 43.0374 34.4608 9.42098 66.0664 41.958 67.4201 2.51943 TIMING: 676600 CPU: 2132.4, 0.00315836/step Wall: 2132.4, 0.00315836/step, 3.79302 hours remaining, 235.832031 MB of memory in use. ENERGY: 676600 3914.9148 20560.5389 14388.5185 253.6234 -202996.3091 2471.1143 0.0000 0.0000 52108.5380 -109299.0611 299.4685 -161407.5991 -108929.6588 299.7401 -99.7776 -59.0515 759935.4846 11.8714 11.9515 PRESSURE: 676800 -169.584 -133.468 120.869 -133.467 319.524 246.831 120.868 246.829 42.8387 GPRESSURE: 676800 -35.9147 -139.932 125.59 -123.514 304.962 225.287 171.826 141.506 10.5843 PRESSAVG: 676800 12.2676 28.6173 28.4659 28.6173 -3.39132 37.0891 28.4659 37.0891 -29.1676 GPRESSAVG: 676800 12.321 29.4649 28.7807 29.8578 -3.52291 36.9163 27.4071 35.7311 -29.1775 TIMING: 676800 CPU: 2133.03, 0.00316545/step Wall: 2133.03, 0.00316545/step, 3.80136 hours remaining, 235.894531 MB of memory in use. ENERGY: 676800 3876.5169 20376.9840 14494.1277 232.3405 -203145.0611 2603.2503 0.0000 0.0000 51980.5041 -109581.3376 298.7327 -161561.8417 -109212.1971 299.0901 64.2595 93.2106 758893.4863 -6.7638 -6.7931 PRESSURE: 677000 31.9846 4.69819 -15.3592 4.69768 16.7331 176.191 -15.3599 176.191 -32.8806 GPRESSURE: 677000 55.9572 -0.934544 -3.73258 -46.6975 99.2067 80.7541 -44.1721 46.6202 -56.8116 PRESSAVG: 677000 -27.3587 -22.0913 11.0399 -22.0913 28.9928 40.6974 11.0398 40.6973 -2.21213 GPRESSAVG: 677000 -26.647 -23.6297 11.4322 -23.4623 28.6194 39.4651 12.1872 42.7117 -2.36814 TIMING: 677000 CPU: 2133.67, 0.0031732/step Wall: 2133.67, 0.0031732/step, 3.81048 hours remaining, 235.906250 MB of memory in use. ENERGY: 677000 3938.5214 20444.5213 14474.4721 232.9510 -203264.0619 2557.6452 0.0000 0.0000 52004.6923 -109611.2587 298.8717 -161615.9510 -109244.1883 298.8212 5.2790 32.7841 759979.5305 -0.1927 -0.1319 PRESSURE: 677200 -325.544 -2.15536 -40.8006 -2.1547 -400.082 -136.249 -40.8007 -136.248 -115.903 GPRESSURE: 677200 -361.403 0.60702 -70.6959 95.969 -352.884 -115.492 -14.0514 -22.7153 -48.233 PRESSAVG: 677200 -4.00922 -33.2713 -27.7925 -33.2713 -23.2703 15.8085 -27.7926 15.8086 -0.213606 GPRESSAVG: 677200 -4.55702 -33.7684 -28.7061 -30.5172 -22.8386 17.6363 -29.5503 16.9504 0.123363 TIMING: 677200 CPU: 2134.3, 0.00317229/step Wall: 2134.3, 0.00317229/step, 3.80922 hours remaining, 236.011719 MB of memory in use. ENERGY: 677200 3969.5218 20477.8600 14512.7355 248.5113 -203086.3417 2327.5243 0.0000 0.0000 51905.6242 -109644.5647 298.3023 -161550.1888 -109282.9841 298.6403 -280.5096 -254.1731 762794.4463 -9.1644 -9.0908 PRESSURE: 677400 -162.107 -126.458 63.7567 -126.457 -210.018 34.0461 63.7569 34.0462 166.653 GPRESSURE: 677400 -137.876 -118.777 42.6637 -40.9835 -155.126 -6.18151 41.8831 109.555 155.358 PRESSAVG: 677400 8.97688 11.4245 5.65497 11.4246 -20.3456 -27.6004 5.6549 -27.6004 19.3953 GPRESSAVG: 677400 8.72169 14.1816 6.30913 8.81087 -19.9034 -27.9284 7.08928 -27.4001 18.7603 TIMING: 677400 CPU: 2134.94, 0.00320397/step Wall: 2134.94, 0.00320397/step, 3.84708 hours remaining, 236.011719 MB of memory in use. ENERGY: 677400 4015.8368 20408.3414 14554.1592 249.4554 -203581.2274 2727.0238 0.0000 0.0000 52021.4950 -109604.9158 298.9682 -161626.4109 -109250.9086 298.4940 -68.4904 -45.8815 760157.9904 2.6755 2.5262 PRESSURE: 677600 100.907 -14.5205 84.5422 -14.5204 -81.7947 -91.4553 84.5426 -91.4555 -88.9114 GPRESSURE: 677600 141.445 10.941 97.8321 58.641 -30.8455 -169.182 -4.52275 -89.9037 -80.0599 PRESSAVG: 677600 36.438 -8.32767 -31.3379 -8.32766 -52.7769 -20.269 -31.3379 -20.269 2.18513 GPRESSAVG: 677600 34.7979 -9.14285 -30.1335 -7.18546 -52.3291 -20.3023 -34.0571 -21.7682 3.20855 TIMING: 677600 CPU: 2135.58, 0.00319748/step Wall: 2135.58, 0.00319748/step, 3.83911 hours remaining, 236.011719 MB of memory in use. ENERGY: 677600 3958.1097 20463.2846 14454.2499 254.8651 -203142.7543 2299.3771 0.0000 0.0000 52073.6323 -109639.2357 299.2679 -161712.8679 -109268.9423 298.9129 -23.2664 10.1797 761387.0033 -4.7179 -4.7742 PRESSURE: 677800 164.846 -63.9719 108.323 -63.9715 58.6825 71.5554 108.323 71.5559 404.671 GPRESSURE: 677800 226.611 -52.882 171.298 -145.255 123.316 -44.4134 64.4162 22.0107 339.309 PRESSAVG: 677800 44.9182 -23.3812 43.1984 -23.3812 -61.7446 -24.355 43.1984 -24.3551 4.3672 GPRESSAVG: 677800 46.116 -22.7885 42.6376 -23.2467 -61.9323 -25.1168 44.7907 -25.9599 3.57557 TIMING: 677800 CPU: 2136.22, 0.00319791/step Wall: 2136.22, 0.00319791/step, 3.83944 hours remaining, 236.050781 MB of memory in use. ENERGY: 677800 3940.2117 20466.2870 14543.6556 255.4923 -203513.2598 2808.1943 0.0000 0.0000 52080.3967 -109419.0223 299.3068 -161499.4190 -109055.8957 298.6440 209.3998 229.7457 760745.7360 -4.1531 -4.0802 PRESSURE: 678000 -283.566 -45.5984 146.404 -45.598 -118.439 -177.814 146.404 -177.815 -76.7229 GPRESSURE: 678000 -282.488 -73.123 196.721 -26.9891 -50.7261 -190.815 17.7414 -259.16 -55.8021 PRESSAVG: 678000 60.9469 0.72495 -14.8912 0.724932 -38.7672 -69.5849 -14.8912 -69.585 14.0408 GPRESSAVG: 678000 60.9221 -0.318098 -14.2546 1.63147 -38.9609 -69.0047 -15.8267 -69.9974 14.0045 TIMING: 678000 CPU: 2136.86, 0.00318941/step Wall: 2136.86, 0.00318941/step, 3.82906 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: 678000 3949.9028 20429.3755 14419.0180 256.5596 -202813.9249 2355.7136 0.0000 0.0000 52105.0424 -109298.3131 299.4484 -161403.3555 -108923.8333 298.9265 -159.5759 -129.6720 763259.0241 12.0735 11.9886 PRESSURE: 678200 -65.9525 -99.2537 -157.33 -99.254 52.1216 1.73651 -157.331 1.7368 108.681 GPRESSURE: 678200 -4.80973 -122.751 -105.931 -99.2842 104.236 20.0006 -139.54 36.536 84.96 PRESSAVG: 678200 28.1592 -13.8867 22.4144 -13.8866 -11.5447 23.521 22.4144 23.5209 8.96356 GPRESSAVG: 678200 27.8183 -12.4131 22.1754 -15.9949 -11.8472 25.3022 24.2454 25.8497 9.61403 TIMING: 678200 CPU: 2137.5, 0.00319835/step Wall: 2137.5, 0.00319835/step, 3.83962 hours remaining, 236.062500 MB of memory in use. ENERGY: 678200 3969.2654 20290.4976 14457.1087 256.9316 -203272.4643 2664.5718 0.0000 0.0000 52144.8103 -109489.2788 299.6769 -161634.0892 -109113.3569 298.9431 31.6166 61.4620 761320.4669 8.5260 8.5284 PRESSURE: 678400 -33.2861 -283.101 -44.9158 -283.101 -307.433 -120.411 -44.9155 -120.412 -104.691 GPRESSURE: 678400 15.0004 -240.806 -75.4922 -345.238 -277.706 -178.386 -71.1596 -125.937 -82.2151 PRESSAVG: 678400 0.651071 -91.2282 19.3874 -91.2281 -14.0753 46.6455 19.3874 46.6456 12.6271 GPRESSAVG: 678400 1.71544 -91.9033 19.1999 -89.2661 -13.6963 45.5097 18.0161 45.1135 11.0424 TIMING: 678400 CPU: 2138.14, 0.00318945/step Wall: 2138.14, 0.00318945/step, 3.82876 hours remaining, 236.074219 MB of memory in use. ENERGY: 678400 4031.8058 20462.8124 14435.2872 245.4734 -203097.5857 2626.0999 0.0000 0.0000 51774.3623 -109521.7446 297.5480 -161296.1070 -109161.4898 298.5689 -148.4702 -114.9737 763425.1100 -0.2657 -0.3128 PRESSURE: 678600 -223.368 -136.469 -95.4941 -136.47 -114.565 83.8199 -95.4937 83.819 -105.167 GPRESSURE: 678600 -68.395 -102.006 -97.7016 -111.815 -182.887 118.941 -99.8033 -29.6858 -96.3568 PRESSAVG: 678600 25.8637 -26.9388 -4.45872 -26.9388 35.693 -16.7318 -4.45873 -16.7318 11.6397 GPRESSAVG: 678600 25.9732 -28.4985 -5.88437 -26.5246 35.003 -16.1925 -3.7326 -17.1048 12.3563 TIMING: 678600 CPU: 2138.78, 0.00320208/step Wall: 2138.78, 0.00320208/step, 3.84374 hours remaining, 236.074219 MB of memory in use. ENERGY: 678600 3975.8353 20506.4083 14453.8201 243.9814 -203289.2555 2613.6776 0.0000 0.0000 52078.5064 -109417.0265 299.2959 -161495.5329 -109049.7912 299.2854 -147.6999 -115.8795 760114.5420 24.3988 24.4442 PRESSURE: 678800 -20.7673 44.1596 -135.159 44.1589 20.7955 172.362 -135.16 172.361 231.336 GPRESSURE: 678800 22.9354 -21.2498 -162.296 55.1189 87.1288 202.635 15.415 83.8992 212.136 PRESSAVG: 678800 -18.5393 -6.03755 16.6773 -6.03757 24.1905 5.21954 16.6773 5.2196 2.34497 GPRESSAVG: 678800 -18.4539 -4.97803 16.9941 -6.96864 23.4091 4.3703 15.6484 7.29742 2.68592 TIMING: 678800 CPU: 2139.42, 0.0031885/step Wall: 2139.42, 0.0031885/step, 3.82726 hours remaining, 236.082031 MB of memory in use. ENERGY: 678800 3940.0759 20445.2954 14470.3294 250.5191 -203386.0659 2656.9278 0.0000 0.0000 52260.6286 -109362.2896 300.3426 -161622.9183 -108992.5752 299.0362 77.1213 107.4000 758582.5816 2.6654 2.5470 PRESSURE: 679000 -44.9555 33.7416 -69.1359 33.741 -185.151 -196.732 -69.1357 -196.733 9.27911 GPRESSURE: 679000 -20.5129 84.6603 17.2449 10.9158 -82.9158 -144.075 81.0311 -124.196 -49.8196 PRESSAVG: 679000 -10.4489 -37.2183 3.0882 -37.2183 -22.8561 37.9913 3.08826 37.9913 15.8654 GPRESSAVG: 679000 -11.8786 -36.6261 3.85501 -38.2674 -21.1275 36.7891 5.86853 38.5247 15.4962 TIMING: 679000 CPU: 2140.05, 0.00317332/step Wall: 2140.05, 0.00317332/step, 3.80886 hours remaining, 236.085938 MB of memory in use. ENERGY: 679000 4036.8373 20643.0054 14468.7510 233.7636 -203375.2620 2612.1209 0.0000 0.0000 51960.5427 -109420.2411 298.6180 -161380.7838 -109058.8588 299.1302 -73.6091 -51.0828 760567.4771 -5.8132 -5.8367 PRESSURE: 679200 -199.008 -25.6006 27.7049 -25.6007 12.1866 9.88029 27.7057 9.88044 -48.8047 GPRESSURE: 679200 -92.4253 -7.60324 -21.4136 71.1928 -46.4384 21.7022 2.4594 -39.3239 -29.1653 PRESSAVG: 679200 29.3684 -27.7848 7.71836 -27.7848 -77.7278 71.3127 7.7184 71.3126 4.9076 GPRESSAVG: 679200 29.4971 -28.4563 6.87814 -27.6825 -78.6571 72.5401 6.76078 69.6327 5.69333 TIMING: 679200 CPU: 2140.69, 0.00318487/step Wall: 2140.69, 0.00318487/step, 3.82255 hours remaining, 236.085938 MB of memory in use. ENERGY: 679200 3987.5994 20529.6146 14528.0230 236.6313 -203422.0083 2902.3835 0.0000 0.0000 52038.7430 -109199.0135 299.0674 -161237.7565 -108832.7244 299.2209 -78.5420 -56.0096 762223.6299 -14.4839 -14.4889 PRESSURE: 679400 -112.228 92.6738 -104.946 92.6738 -61.8081 -113.593 -104.946 -113.593 374.21 GPRESSURE: 679400 -34.2577 123.699 -69.0409 5.51111 -15.7091 -81.2383 -137.935 -1.44199 334.335 PRESSAVG: 679400 13.8897 0.339551 9.44263 0.339498 23.9649 14.2787 9.44267 14.2787 0.665918 GPRESSAVG: 679400 14.0851 0.789162 9.76214 -0.428795 24.2573 12.9549 8.80829 16.387 0.056257 TIMING: 679400 CPU: 2141.33, 0.00322131/step Wall: 2141.33, 0.00322131/step, 3.86611 hours remaining, 236.085938 MB of memory in use. ENERGY: 679400 3910.0955 20570.5428 14537.1843 241.7520 -203399.5787 2840.3561 0.0000 0.0000 51944.7384 -109354.9096 298.5271 -161299.6480 -108988.9910 299.1922 66.7246 94.7894 760986.2914 12.8402 12.7995 PRESSURE: 679600 -174.335 43.7555 195.469 43.755 -29.5924 240.374 195.469 240.374 126.766 GPRESSURE: 679600 -141.456 113.454 193.715 201.869 -10.4858 204.366 183.804 173.92 172.926 PRESSAVG: 679600 22.781 64.404 43.2967 64.404 -17.0989 85.6251 43.2966 85.6251 -11.5924 GPRESSAVG: 679600 22.5879 63.11 44.027 66.0999 -17.771 86.3875 43.6901 85.0554 -11.7093 TIMING: 679600 CPU: 2141.98, 0.0032182/step Wall: 2141.98, 0.0032182/step, 3.8622 hours remaining, 236.085938 MB of memory in use. ENERGY: 679600 4023.7971 20644.5039 14494.9486 258.2773 -203629.3088 2879.2865 0.0000 0.0000 52051.1642 -109277.3310 299.1388 -161328.4953 -108910.0970 299.6039 -25.7204 6.9947 761447.5207 -1.9701 -2.2975 PRESSURE: 679800 -67.6966 13.4159 51.5458 13.4159 -96.0446 90.7012 51.5461 90.701 147.45 GPRESSURE: 679800 36.4721 111.422 -44.8558 17.4148 -51.6679 68.4408 113.228 296.02 97.7781 PRESSAVG: 679800 -18.2166 16.0597 70.4324 16.0597 28.4165 50.7984 70.4324 50.7984 4.6505 GPRESSAVG: 679800 -19.2046 18.6559 70.473 13.6392 29.2562 50.3382 70.3911 52.2172 4.85617 TIMING: 679800 CPU: 2142.61, 0.00319295/step Wall: 2142.61, 0.00319295/step, 3.83172 hours remaining, 236.085938 MB of memory in use. ENERGY: 679800 3998.7680 20520.7159 14495.7911 261.5792 -203618.1320 2759.1372 0.0000 0.0000 52256.2046 -109325.9360 300.3171 -161582.1406 -108953.3394 299.6015 -5.4305 27.5275 761219.2325 4.9501 4.9692 PRESSURE: 680000 47.3192 25.2714 206.123 25.2721 176.92 200.087 206.123 200.088 27.6361 GPRESSURE: 680000 134.725 9.21039 130.083 24.727 226.337 263.665 340.312 74.4249 -40.9428 PRESSAVG: 680000 10.6554 -30.2467 63.8374 -30.2467 14.1911 1.25551 63.8373 1.25566 16.74 GPRESSAVG: 680000 9.98291 -31.7206 65.0635 -28.0587 15.1946 2.1974 63.8192 1.57025 16.2469 TIMING: 680000 CPU: 2143.25, 0.00319564/step Wall: 2143.25, 0.00319564/step, 3.83477 hours remaining, 236.085938 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: 680000 3992.3019 20519.9349 14449.2594 247.3902 -203017.1891 2467.9282 0.0000 0.0000 51979.3527 -109361.0217 298.7261 -161340.3745 -108997.3746 299.2473 83.9584 106.7064 762018.4594 13.8622 13.8081 PRESSURE: 680200 34.3645 -162.674 -494.106 -162.674 -118.308 64.9178 -494.106 64.9168 151.797 GPRESSURE: 680200 -39.4967 -209.481 -558.044 -128.553 -1.16473 99.0524 -304.93 46.8072 191.964 PRESSAVG: 680200 3.99344 13.5795 18.9115 13.5795 -11.663 -1.75592 18.9115 -1.7559 -1.67693 GPRESSAVG: 680200 3.75045 10.8635 15.6181 13.2032 -12.4363 -0.92466 21.438 -4.3604 -1.6426 TIMING: 680200 CPU: 2143.89, 0.00317339/step Wall: 2143.89, 0.00317339/step, 3.80789 hours remaining, 236.093750 MB of memory in use. ENERGY: 680200 4048.4956 20623.4250 14554.6369 245.9721 -203471.9164 2758.6166 0.0000 0.0000 51933.3542 -109307.4161 298.4617 -161240.7703 -108956.9696 299.3720 22.6178 50.4341 761932.0953 -3.1155 -3.4428 LDB: ============= START OF LOAD BALANCING ============== 2156.34 LDB: ============== END OF LOAD BALANCING =============== 2156.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2156.34 LDB: ============= START OF LOAD BALANCING ============== 2156.67 LDB: Largest compute 7064 load 0.035445 is 18.2% of average load 0.194884 LDB: Average compute 0.004410 is 2.3% of average load 0.194884 LDB: TIME 2156.67 LOAD: AVG 0.194884 MAX 0.216374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.887 MB LDB: TIME 2156.67 LOAD: AVG 0.194884 MAX 0.216374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.887 MB LDB: TIME 2156.67 LOAD: AVG 0.194884 MAX 0.216374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.887 MB LDB: ============== END OF LOAD BALANCING =============== 2156.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2156.68 PRESSURE: 680400 -42.5722 83.423 5.51631 83.4225 108.031 32.6502 5.516 32.6503 113.429 GPRESSURE: 680400 57.9328 57.4843 57.1981 -52.0678 116.948 -22.8129 -64.3395 56.438 99.6615 PRESSAVG: 680400 -20.917 16.7099 12.4872 16.7099 13.1683 -17.4542 12.4872 -17.4541 -0.689624 GPRESSAVG: 680400 -20.3731 18.3166 15.5893 14.4437 11.6651 -18.6023 9.85186 -15.7738 0.45658 TIMING: 680400 CPU: 2144.54, 0.00326279/step Wall: 2144.54, 0.00326279/step, 3.91499 hours remaining, 236.863281 MB of memory in use. ENERGY: 680400 3983.1793 20518.4531 14515.8344 241.4687 -203670.4643 2844.9450 0.0000 0.0000 52315.5629 -109251.0210 300.6583 -161566.5839 -108878.4368 299.4893 59.6292 91.5142 760441.3586 -2.8128 -2.7505 PRESSURE: 680600 -71.9794 4.11638 -38.4689 4.11584 -257.896 -260.59 -38.4685 -260.589 -10.4532 GPRESSURE: 680600 8.97189 60.9443 -87.2418 -19.8606 -281.589 -205.521 -116.848 -225.459 19.8663 PRESSAVG: 680600 1.71355 29.9846 -37.7307 29.9846 8.21725 -19.0869 -37.7307 -19.0868 11.5233 GPRESSAVG: 680600 1.37472 29.9586 -39.3573 30.2176 8.65684 -17.7962 -37.5427 -20.6541 11.0381 TIMING: 680600 CPU: 2145.18, 0.00318866/step Wall: 2145.18, 0.00318866/step, 3.82586 hours remaining, 237.105469 MB of memory in use. ENERGY: 680600 4069.9473 20496.2742 14530.8591 243.0807 -203166.1379 2425.9429 0.0000 0.0000 52105.0426 -109294.9912 299.4484 -161400.0338 -108927.6347 299.5798 -113.4428 -84.2501 760974.3992 7.1513 7.0232 PRESSURE: 680800 -221.921 121.046 -23.9209 121.046 80.1774 60.0853 -23.9202 60.0842 -318.033 GPRESSURE: 680800 -128.184 188.878 -75.1553 207.967 85.6303 94.803 -30.7081 64.4669 -326.167 PRESSAVG: 680800 46.1472 71.6367 83.7566 71.6367 -41.3706 -48.2571 83.7566 -48.2569 -33.1902 GPRESSAVG: 680800 47.3074 72.0387 83.035 73.8064 -41.6752 -49.0929 83.5093 -47.3221 -33.5184 TIMING: 680800 CPU: 2145.81, 0.00316645/step Wall: 2145.81, 0.00316645/step, 3.79904 hours remaining, 237.175781 MB of memory in use. ENERGY: 680800 3979.7858 20651.3272 14511.2780 251.0768 -203818.8793 2872.0358 0.0000 0.0000 52144.7106 -109408.6651 299.6764 -161553.3758 -109043.3075 299.0705 -153.2588 -122.9070 761553.7262 -9.4712 -9.2954 PRESSURE: 681000 96.6365 -136.458 -165.805 -136.458 83.9538 126.205 -165.805 126.205 -141.533 GPRESSURE: 681000 70.2343 -161.936 -96.9658 -103.662 102.114 123.337 -85.1565 23.2717 -78.0007 PRESSAVG: 681000 24.5419 51.8784 15.9865 51.8784 -21.0593 -28.8179 15.9865 -28.8178 25.2311 GPRESSAVG: 681000 25.5848 52.3994 16.6703 50.9154 -21.6729 -28.9171 16.035 -30.1499 24.9942 TIMING: 681000 CPU: 2146.44, 0.00316348/step Wall: 2146.44, 0.00316348/step, 3.7953 hours remaining, 237.175781 MB of memory in use. ENERGY: 681000 3991.0961 20405.4142 14544.7971 261.1377 -203724.8700 3060.1862 0.0000 0.0000 52112.9520 -109349.2867 299.4939 -161462.2387 -108976.4102 299.2398 13.0190 31.4492 761493.9565 9.5712 9.6354 PRESSURE: 681200 -398.908 36.413 264.055 36.4124 -230.018 -6.34932 264.056 -6.3491 268.902 GPRESSURE: 681200 -257.063 122.707 235.759 49.6656 -296.385 -43.3381 163.688 62.384 278.468 PRESSAVG: 681200 14.9042 -14.8853 33.0593 -14.8852 11.4247 -5.18435 33.0593 -5.18433 16.205 GPRESSAVG: 681200 13.6084 -16.4026 33.087 -14.897 11.1882 -4.67852 32.5785 -4.32442 17.9442 TIMING: 681200 CPU: 2147.08, 0.00316818/step Wall: 2147.08, 0.00316818/step, 3.80076 hours remaining, 237.199219 MB of memory in use. ENERGY: 681200 3917.2757 20523.5624 14545.9787 259.0667 -203479.4067 2819.2736 0.0000 0.0000 51977.9473 -109436.3022 298.7180 -161414.2495 -109067.8095 299.0187 -120.0078 -91.6601 761580.7937 14.1780 14.2469 PRESSURE: 681400 96.7012 -83.5333 -139.874 -83.5339 -159.374 87.4529 -139.875 87.4534 -92.0047 GPRESSURE: 681400 69.357 -38.5867 -110.007 -60.928 -104.16 18.7903 -167.498 3.71696 -42.7606 PRESSAVG: 681400 -10.4025 -3.86619 -26.6705 -3.86623 7.70721 -46.276 -26.6705 -46.276 14.7063 GPRESSAVG: 681400 -10.4261 -3.556 -25.7097 -4.0793 8.05474 -47.5008 -27.2843 -45.6613 13.7161 TIMING: 681400 CPU: 2147.71, 0.00317252/step Wall: 2147.71, 0.00317252/step, 3.80579 hours remaining, 237.195312 MB of memory in use. ENERGY: 681400 4032.4791 20536.9796 14408.3615 263.6637 -203275.2550 2688.4216 0.0000 0.0000 52052.7953 -109292.5543 299.1481 -161345.3496 -108939.0469 298.8924 -51.5593 -25.8544 760884.1800 4.0036 3.7816 PRESSURE: 681600 101.62 266.571 -235.668 266.571 -221.455 -112.641 -235.667 -112.642 -182.853 GPRESSURE: 681600 85.2301 259.314 -202.89 227.461 -138.873 -24.8939 -245.337 79.416 -169.154 PRESSAVG: 681600 -17.8556 -50.652 53.3283 -50.6521 16.931 13.2658 53.3283 13.2657 12.5807 GPRESSAVG: 681600 -18.1358 -50.5122 53.6207 -50.2697 17.5871 12.7823 52.9483 13.4624 12.3139 TIMING: 681600 CPU: 2148.34, 0.00316072/step Wall: 2148.34, 0.00316072/step, 3.79146 hours remaining, 237.437500 MB of memory in use. ENERGY: 681600 4055.0510 20638.7318 14497.2582 252.5452 -203258.4549 2507.0690 0.0000 0.0000 52146.3550 -109161.4448 299.6858 -161307.7998 -108802.1245 299.4567 -100.8958 -74.2656 761553.1879 3.8853 3.9218 PRESSURE: 681800 314.201 -6.68523 135.629 -6.6854 100.197 -51.8455 135.629 -51.8457 415.855 GPRESSURE: 681800 291.761 23.3354 217.903 24.725 181.151 -51.848 116.172 -1.85724 434.54 PRESSAVG: 681800 34.7824 -5.22986 -17.2715 -5.22987 -41.1952 4.30148 -17.2715 4.3015 7.50156 GPRESSAVG: 681800 35.9242 -4.8058 -17.4612 -5.65976 -41.0101 4.69658 -16.1522 2.99017 6.33321 TIMING: 681800 CPU: 2148.98, 0.0031653/step Wall: 2148.98, 0.0031653/step, 3.79678 hours remaining, 237.433594 MB of memory in use. ENERGY: 681800 3935.3165 20609.5333 14505.6066 248.1164 -203094.5779 2514.1825 0.0000 0.0000 52128.3529 -109153.4697 299.5824 -161281.8226 -108779.4482 299.6543 276.7509 302.4839 760114.0725 0.3629 0.4158 PRESSURE: 682000 -190.585 0.383672 -379.039 0.383947 83.4054 22.9191 -379.04 22.9201 -59.6098 GPRESSURE: 682000 -237.176 78.0645 -355.206 -119.032 162.967 -80.6493 -267.721 72.2065 -9.75341 PRESSAVG: 682000 -3.84785 -15.1778 -33.4422 -15.1777 20.4845 12.7409 -33.4423 12.7408 -5.59952 GPRESSAVG: 682000 -3.96797 -13.9117 -34.9659 -16.4032 20.486 13.0304 -34.3341 12.7232 -5.39253 TIMING: 682000 CPU: 2149.61, 0.0031632/step Wall: 2149.61, 0.0031632/step, 3.79408 hours remaining, 237.433594 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: 682000 3981.3047 20606.1595 14509.2068 246.7752 -203062.1508 2457.0619 0.0000 0.0000 52211.2316 -109050.4111 300.0587 -161261.6427 -108693.3834 300.0461 -55.5965 -27.9876 761112.9911 3.6790 3.7085 PRESSURE: 682200 128.162 -28.7382 -125.525 -28.7384 149.379 182.345 -125.525 182.344 396.526 GPRESSURE: 682200 135.786 36.4048 -59.6056 -84.633 196.535 162.436 -182.329 273.282 431.207 PRESSAVG: 682200 -40.2234 2.66688 -19.9243 2.66685 43.9903 19.0421 -19.9244 19.042 15.8959 GPRESSAVG: 682200 -41.5039 1.8573 -19.2246 3.81605 45.0456 19.7339 -19.557 19.6159 15.6428 TIMING: 682200 CPU: 2150.24, 0.00316106/step Wall: 2150.24, 0.00316106/step, 3.79134 hours remaining, 237.433594 MB of memory in use. ENERGY: 682200 4011.6795 20469.3155 14557.0818 260.9192 -203107.7296 2605.2088 0.0000 0.0000 52444.9928 -108758.5319 301.4021 -161203.5248 -108395.8623 300.2566 224.6891 254.5093 761190.4371 6.5543 6.3948 PRESSURE: 682400 57.8232 -226.545 -158.956 -226.545 243.146 117.122 -158.956 117.122 -16.7339 GPRESSURE: 682400 94.7775 -288.061 -132.875 -319.966 201.204 193.917 -77.6555 5.61521 75.6351 PRESSAVG: 682400 -0.0341218 -15.2692 -10.039 -15.2692 5.77747 13.3527 -10.039 13.3527 -6.37183 GPRESSAVG: 682400 0.185646 -15.3391 -10.2765 -15.276 4.25748 12.0225 -10.3391 14.4325 -4.95501 TIMING: 682400 CPU: 2150.88, 0.00316513/step Wall: 2150.88, 0.00316513/step, 3.79604 hours remaining, 237.433594 MB of memory in use. ENERGY: 682400 3977.9025 20428.0002 14529.7098 273.1600 -203120.1735 2692.4689 0.0000 0.0000 52369.1149 -108849.8171 300.9660 -161218.9321 -108492.3005 300.2853 94.7452 123.8721 760910.8631 -0.2095 -0.1706 PRESSURE: 682600 -244.045 155.474 34.6312 155.473 -98.1749 -226.901 34.6306 -226.901 44.1793 GPRESSURE: 682600 -144.479 236.054 88.2842 212.521 -125.377 -138.297 1.57819 -194.026 68.0023 PRESSAVG: 682600 -64.5931 -41.6782 36.0126 -41.6783 49.7473 12.6175 36.0125 12.6176 23.1058 GPRESSAVG: 682600 -64.8951 -40.4627 36.8339 -42.8906 49.7885 14.6397 35.7178 12.5717 22.6611 TIMING: 682600 CPU: 2151.51, 0.00316412/step Wall: 2151.51, 0.00316412/step, 3.79466 hours remaining, 237.445312 MB of memory in use. ENERGY: 682600 3983.0980 20507.8332 14469.2453 234.5123 -202614.2185 2188.8595 0.0000 0.0000 52181.8379 -109048.8323 299.8897 -161230.6701 -108679.5669 300.0890 -99.3468 -67.2845 760321.9340 2.7534 2.5182 PRESSURE: 682800 -454.228 -105.33 -102.061 -105.331 -142.115 147.357 -102.062 147.359 -205.4 GPRESSURE: 682800 -518.768 -8.74252 -64.635 8.14949 -76.2837 81.757 -218.379 95.8646 -107.216 PRESSAVG: 682800 -49.8604 17.1819 14.6449 17.1818 50.8475 -1.13482 14.6448 -1.13482 15.6116 GPRESSAVG: 682800 -49.1971 17.9978 13.1359 19.0745 51.5039 -2.35962 14.5012 -3.16687 14.8499 TIMING: 682800 CPU: 2152.15, 0.00318281/step Wall: 2152.15, 0.00318281/step, 3.8169 hours remaining, 237.433594 MB of memory in use. ENERGY: 682800 3983.6973 20491.3519 14482.5088 249.5448 -202608.9881 2297.5213 0.0000 0.0000 51968.4683 -109135.8956 298.6635 -161104.3639 -108779.9727 299.4161 -267.2478 -234.0892 762512.0208 5.5329 5.7189 PRESSURE: 683000 15.6607 226.366 -32.3066 226.367 -1.33172 47.0111 -32.3074 47.0107 75.5224 GPRESSURE: 683000 129.942 147.738 5.62838 228.241 32.833 80.1485 22.7846 149.394 30.3909 PRESSAVG: 683000 -58.1027 -19.7229 27.7324 -19.7228 34.2052 -3.67812 27.7324 -3.67815 3.32772 GPRESSAVG: 683000 -57.8094 -20.5369 29.9448 -20.0126 33.8315 -2.81878 27.125 -2.47681 3.7214 TIMING: 683000 CPU: 2152.78, 0.00318792/step Wall: 2152.78, 0.00318793/step, 3.82285 hours remaining, 237.433594 MB of memory in use. ENERGY: 683000 3988.1617 20493.4710 14624.5528 250.0927 -203304.6791 2881.1193 0.0000 0.0000 51931.9029 -109135.3787 298.4534 -161067.2816 -108770.9889 299.6345 29.9505 64.3885 760667.4880 -6.8566 -6.7521 PRESSURE: 683200 185.773 -124.687 181.812 -124.687 322.778 281.903 181.811 281.904 -95.253 GPRESSURE: 683200 183.509 -103.793 251.848 -117.873 376.109 299.56 122.964 244.71 -66.4526 PRESSAVG: 683200 -26.7787 -28.6194 -19.1539 -28.6194 35.2632 -8.75906 -19.154 -8.75906 9.14861 GPRESSAVG: 683200 -26.406 -28.0113 -21.2707 -30.7747 35.7317 -10.797 -19.0689 -7.72827 8.0788 TIMING: 683200 CPU: 2153.42, 0.00319834/step Wall: 2153.42, 0.00319834/step, 3.83517 hours remaining, 237.433594 MB of memory in use. ENERGY: 683200 3951.5480 20428.2507 14513.8714 255.0952 -203245.2975 2586.7867 0.0000 0.0000 52414.9272 -109094.8182 301.2293 -161509.7454 -108731.5976 299.5651 137.7660 164.3887 760213.5845 5.8777 5.8015 PRESSURE: 683400 -22.6697 115.148 -153.897 115.148 -204.236 -53.3525 -153.896 -53.3518 -386.223 GPRESSURE: 683400 41.0296 105.217 -139.145 29.4731 -260.664 -175.234 -27.5092 -89.3203 -303.55 PRESSAVG: 683400 -4.58196 -24.8659 -63.6334 -24.8658 31.4963 78.1168 -63.6334 78.1169 13.3964 GPRESSAVG: 683400 -4.95145 -25.5594 -63.8342 -24.5704 31.2144 79.0971 -62.0799 76.5557 13.5417 TIMING: 683400 CPU: 2154.06, 0.0031903/step Wall: 2154.06, 0.0031903/step, 3.82535 hours remaining, 237.437500 MB of memory in use. ENERGY: 683400 4078.3673 20770.9427 14533.4778 245.6443 -202957.0601 2339.7720 0.0000 0.0000 51954.9361 -109033.9198 298.5857 -160988.8559 -108683.9595 300.1317 -204.3762 -174.3949 762473.4938 13.4369 13.2682 PRESSURE: 683600 -63.223 -6.38521 97.9743 -6.38457 -146.889 -181.692 97.9744 -181.693 -46.5121 GPRESSURE: 683600 2.27298 58.339 140.686 -51.4933 -78.0109 -244.626 146.741 -62.0941 -90.9206 PRESSAVG: 683600 -24.1645 -29.9481 -17.2886 -29.9481 53.7043 -1.90208 -17.2886 -1.90203 7.12653 GPRESSAVG: 683600 -24.4266 -32.7922 -17.3764 -28.1351 53.9546 -2.21627 -14.8569 -2.26574 7.40749 TIMING: 683600 CPU: 2154.7, 0.0031947/step Wall: 2154.7, 0.0031947/step, 3.83044 hours remaining, 237.433594 MB of memory in use. ENERGY: 683600 4028.2099 20712.9073 14509.7841 232.9835 -203421.3706 2528.4088 0.0000 0.0000 52390.9524 -109018.1245 301.0915 -161409.0769 -108654.6716 299.8617 -85.5415 -55.5528 760681.9246 12.2221 12.3118 PRESSURE: 683800 44.3494 -200.485 -133.786 -200.485 270.379 -2.30777 -133.786 -2.30666 531.621 GPRESSURE: 683800 115.423 -295.986 -124.816 -186.323 278.864 35.8127 -56.0358 -28.7617 530.076 PRESSAVG: 683800 36.7568 -11.5888 -10.2434 -11.5889 -32.9815 35.0007 -10.2434 35.0006 22.5562 GPRESSAVG: 683800 36.6778 -8.31928 -8.67093 -12.43 -33.0677 36.3907 -13.6433 34.8394 22.8429 TIMING: 683800 CPU: 2155.34, 0.00318896/step Wall: 2155.34, 0.00318896/step, 3.82339 hours remaining, 237.433594 MB of memory in use. ENERGY: 683800 4015.8693 20639.2326 14532.1169 234.8386 -203537.3155 2581.6654 0.0000 0.0000 52225.5283 -109308.0643 300.1408 -161533.5926 -108947.2084 300.3795 282.1162 308.1211 758346.8602 8.7772 8.8177 PRESSURE: 684000 -53.4547 -18.7728 96.6896 -18.7733 -97.0446 255.714 96.6898 255.714 69.8023 GPRESSURE: 684000 23.2763 -92.3725 101.025 5.33925 -57.2659 247.717 130.461 224.803 43.2091 PRESSAVG: 684000 4.35725 -31.756 54.1908 -31.756 30.278 91.6092 54.1908 91.6092 -11.7053 GPRESSAVG: 684000 5.04498 -32.1422 52.5056 -31.7678 30.0075 88.5967 54.888 93.3122 -11.6278 TIMING: 684000 CPU: 2155.98, 0.00318957/step Wall: 2155.98, 0.00318957/step, 3.82394 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 684000 3983.9860 20437.0814 14493.7273 250.7091 -203564.5468 2578.6034 0.0000 0.0000 52304.5461 -109515.8935 300.5949 -161820.4396 -109151.1589 299.2522 -26.8990 3.0732 760234.8027 7.6433 7.8082 PRESSURE: 684200 -20.6459 -20.4214 118.65 -20.4217 106.856 -194.632 118.65 -194.633 -231.756 GPRESSURE: 684200 35.9506 112.703 71.381 12.4964 68.4316 -170.954 35.3227 -149.433 -166.549 PRESSAVG: 684200 -23.3655 19.7561 43.7171 19.7561 3.17193 44.8327 43.7171 44.8326 1.64093 GPRESSAVG: 684200 -22.5371 18.2095 45.3578 20.1934 3.20079 46.0828 42.0215 44.9419 0.648341 TIMING: 684200 CPU: 2156.61, 0.00318476/step Wall: 2156.61, 0.00318476/step, 3.818 hours remaining, 237.441406 MB of memory in use. ENERGY: 684200 3946.9598 20518.9640 14501.2854 250.9740 -202994.3432 2210.0841 0.0000 0.0000 52129.1061 -109436.9698 299.5867 -161566.0758 -109067.1456 299.6682 -48.5155 -20.7223 761535.7765 -6.1842 -6.2293 LDB: ============= START OF LOAD BALANCING ============== 2169.07 LDB: ============== END OF LOAD BALANCING =============== 2169.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2169.07 LDB: ============= START OF LOAD BALANCING ============== 2169.38 LDB: Largest compute 7076 load 0.036607 is 18.8% of average load 0.195042 LDB: Average compute 0.004396 is 2.3% of average load 0.195042 LDB: TIME 2169.39 LOAD: AVG 0.195042 MAX 0.211144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.941 MB LDB: TIME 2169.39 LOAD: AVG 0.195042 MAX 0.211144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.941 MB LDB: TIME 2169.39 LOAD: AVG 0.195042 MAX 0.211144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.941 MB LDB: ============== END OF LOAD BALANCING =============== 2169.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2169.39 PRESSURE: 684400 71.8765 59.6018 90.5556 59.602 -102.777 1.42899 90.5551 1.42783 -101.232 GPRESSURE: 684400 95.6782 137.221 99.5419 98.1717 -48.9122 52.5236 14.088 -160.258 -102.421 PRESSAVG: 684400 11.0685 22.3697 28.504 22.3697 -8.2917 40.5862 28.5041 40.5861 7.20338 GPRESSAVG: 684400 11.0037 22.6644 27.4726 21.3567 -8.28327 41.8468 29.2034 39.1019 6.99626 TIMING: 684400 CPU: 2157.26, 0.00323469/step Wall: 2157.26, 0.00323469/step, 3.87767 hours remaining, 236.730469 MB of memory in use. ENERGY: 684400 4027.7639 20460.4500 14459.2018 236.5796 -203161.4422 2337.7260 0.0000 0.0000 51937.2505 -109702.4704 298.4841 -161639.7209 -109339.9799 299.5286 -44.0442 -18.5516 760922.8101 3.3267 3.2389 PRESSURE: 684600 -2.37333 -59.399 -196.512 -59.3978 -314.143 -183.358 -196.513 -183.358 -616.277 GPRESSURE: 684600 51.397 -27.293 -96.7954 -52.0426 -284.167 -148.134 -127.703 -165.681 -607.54 PRESSAVG: 684600 -19.1097 0.788425 -17.0304 0.788432 -17.6432 -9.41268 -17.0304 -9.41273 24.4728 GPRESSAVG: 684600 -19.5441 0.345832 -17.3845 1.25236 -17.5141 -8.78179 -15.9657 -7.43045 25.3992 TIMING: 684600 CPU: 2157.89, 0.00317404/step Wall: 2157.89, 0.00317404/step, 3.80479 hours remaining, 236.726562 MB of memory in use. ENERGY: 684600 3955.7101 20635.6576 14492.0427 235.5348 -203193.2113 2282.9921 0.0000 0.0000 51937.4419 -109653.8321 298.4852 -161591.2740 -109279.0701 298.6700 -310.9310 -280.1031 762130.9856 -4.0934 -3.8863 PRESSURE: 684800 111.022 -3.27288 270.892 -3.27235 -17.0969 -153.258 270.891 -153.258 -16.547 GPRESSURE: 684800 182.321 -31.6806 283.575 22.319 -38.445 -31.539 164.006 -85.8392 14.8898 PRESSAVG: 684800 36.486 -4.85008 43.6378 -4.85015 14.4016 -22.4358 43.6379 -22.4357 -4.94601 GPRESSAVG: 684800 35.6182 -5.95751 44.8231 -3.43998 15.1637 -22.8632 43.4366 -23.5873 -4.62138 TIMING: 684800 CPU: 2158.53, 0.00316771/step Wall: 2158.53, 0.00316771/step, 3.79703 hours remaining, 236.726562 MB of memory in use. ENERGY: 684800 3989.6120 20334.6658 14513.8499 242.0675 -203725.6829 2765.9310 0.0000 0.0000 52155.4324 -109724.1244 299.7380 -161879.5568 -109348.6469 299.0161 25.7926 52.9220 761688.2163 15.3139 15.3868 PRESSURE: 685000 29.8526 31.0696 108.69 31.0704 -230.953 33.4718 108.69 33.4713 -276.398 GPRESSURE: 685000 146.819 27.6893 164.366 -60.7218 -322.616 37.569 186.094 -72.7429 -218.304 PRESSAVG: 685000 25.1128 -43.7731 76.3624 -43.7732 19.5605 23.6734 76.3624 23.6735 10.86 GPRESSAVG: 685000 26.3478 -42.3131 75.5477 -45.9885 18.9355 24.6035 76.1483 22.6731 10.2821 TIMING: 685000 CPU: 2159.16, 0.00317958/step Wall: 2159.16, 0.00317958/step, 3.81108 hours remaining, 236.726562 MB of memory in use. ENERGY: 685000 3996.8048 20604.3353 14457.2908 237.0714 -203495.9012 2512.0832 0.0000 0.0000 51887.8307 -109800.4850 298.2001 -161688.3157 -109427.0834 298.5130 -159.1663 -131.3673 762010.8367 18.5111 18.5218 PRESSURE: 685200 -185.436 -37.3733 -2.23468 -37.3728 -17.2891 157.821 -2.23544 157.821 86.7235 GPRESSURE: 685200 -124.083 5.94933 98.6211 10.6433 3.12666 124.798 -133.86 51.8672 74.4317 PRESSAVG: 685200 19.3021 -58.2262 14.4925 -58.2261 -14.1393 -13.8315 14.4926 -13.8314 -25.0032 GPRESSAVG: 685200 19.7804 -57.8741 16.0565 -55.7184 -14.8826 -16.8829 14.9834 -14.0616 -24.4445 TIMING: 685200 CPU: 2159.8, 0.00318447/step Wall: 2159.8, 0.00318447/step, 3.81677 hours remaining, 236.929688 MB of memory in use. ENERGY: 685200 3879.8755 20561.6255 14534.0974 241.5856 -203351.1368 2579.0955 0.0000 0.0000 51833.0987 -109721.7585 297.8855 -161554.8572 -109358.6093 297.8889 -38.6671 -15.5083 762245.8667 -6.6135 -6.5156 PRESSURE: 685400 3.88229 -28.478 -308.456 -28.4783 -159.552 -5.23638 -308.456 -5.23666 169.763 GPRESSURE: 685400 20.3596 36.0128 -387.025 -75.3821 -84.0794 44.9957 -168.272 16.951 159.113 PRESSAVG: 685400 -34.1753 -18.5943 36.1219 -18.5943 34.8486 3.07208 36.1219 3.07198 8.54092 GPRESSAVG: 685400 -35.0241 -16.6295 35.5596 -20.8759 35.5939 5.77647 36.5958 3.91987 8.63683 TIMING: 685400 CPU: 2160.43, 0.00316096/step Wall: 2160.43, 0.00316096/step, 3.78841 hours remaining, 236.929688 MB of memory in use. ENERGY: 685400 3970.4726 20523.5421 14415.0739 280.9177 -203388.7972 2543.1794 0.0000 0.0000 51954.6734 -109700.9380 298.5842 -161655.6115 -109336.6296 298.8577 4.6977 31.7978 763144.0104 3.0714 3.0689 PRESSURE: 685600 -237.58 -28.1649 -166.378 -28.1649 -175.407 87.4752 -166.378 87.4761 -167.378 GPRESSURE: 685600 -171.376 3.45281 -240.694 -112.478 -145.715 83.9819 -83.5352 36.5285 -190.203 PRESSAVG: 685600 -7.86487 -28.3005 43.1278 -28.3005 -21.1692 -12.476 43.1278 -12.4759 11.6687 GPRESSAVG: 685600 -7.67151 -29.0413 40.2171 -28.9088 -20.7987 -13.4576 47.1336 -10.0319 11.3786 TIMING: 685600 CPU: 2161.07, 0.00316691/step Wall: 2161.07, 0.00316691/step, 3.79536 hours remaining, 236.929688 MB of memory in use. ENERGY: 685600 4012.3932 20493.1784 14513.1136 242.9744 -203242.6463 2516.4101 0.0000 0.0000 51742.1202 -109722.4563 297.3627 -161464.5765 -109367.0052 298.2531 -193.4550 -169.0976 761324.5669 -5.7885 -5.6972 PRESSURE: 685800 245.999 11.0947 -63.7129 11.0946 -190.989 136.058 -63.7132 136.058 -85.5303 GPRESSURE: 685800 173.408 -16.9094 -109.33 -32.197 -38.2872 116.683 -45.0048 118.718 -57.5689 PRESSAVG: 685800 -23.3192 -14.7038 -20.0863 -14.7038 35.0841 43.4638 -20.0863 43.4638 5.83921 GPRESSAVG: 685800 -24.0084 -16.8142 -17.801 -12.4377 35.219 43.4581 -25.303 42.9776 6.10462 TIMING: 685800 CPU: 2161.7, 0.00316931/step Wall: 2161.7, 0.00316931/step, 3.79806 hours remaining, 236.929688 MB of memory in use. ENERGY: 685800 4034.0155 20398.2387 14492.8819 270.2897 -203496.7895 2534.1995 0.0000 0.0000 51987.7917 -109779.3726 298.7746 -161767.1643 -109424.5652 298.5255 -10.1735 25.8507 759165.1092 5.8680 5.7717 PRESSURE: 686000 -264.975 -158.606 -5.01579 -158.605 -135.526 -161.074 -5.01627 -161.075 314.138 GPRESSURE: 686000 -120.871 -203.888 -98.3368 -201.118 -212.94 -59.8406 96.7062 -202.349 344.074 PRESSAVG: 686000 -21.8763 -10.2747 15.3264 -10.2746 -10.3886 -28.5347 15.3264 -28.5347 -24.1474 GPRESSAVG: 686000 -20.7412 -9.96632 14.6959 -11.9066 -11.9847 -29.8961 19.3211 -29.8418 -23.8458 TIMING: 686000 CPU: 2162.33, 0.0031732/step Wall: 2162.33, 0.0031732/step, 3.80255 hours remaining, 236.929688 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: 686000 3941.3059 20604.6738 14367.9917 241.4121 -203397.8089 2588.7572 0.0000 0.0000 51920.5873 -109733.0809 298.3883 -161653.6682 -109380.3074 298.5707 -28.7877 3.4209 762161.9495 -18.8041 -18.8573 PRESSURE: 686200 -484.737 -192.292 90.3901 -192.294 -19.9446 -58.5254 90.3901 -58.5253 -108.615 GPRESSURE: 686200 -457.721 -184.631 128.81 -31.9315 42.3954 -56.8304 102.435 -120.027 -124.333 PRESSAVG: 686200 -15.2895 20.4695 -16.2526 20.4695 48.858 44.8049 -16.2527 44.8049 8.34357 GPRESSAVG: 686200 -14.6755 21.3625 -16.8847 20.2761 48.8583 46.8645 -18.8165 43.3585 7.8071 TIMING: 686200 CPU: 2162.97, 0.00317468/step Wall: 2162.97, 0.00317468/step, 3.80415 hours remaining, 236.929688 MB of memory in use. ENERGY: 686200 3973.3893 20578.6105 14518.8730 245.8776 -203450.1516 2537.8768 0.0000 0.0000 52090.2316 -109505.2927 299.3633 -161595.5243 -109141.3961 298.8179 -204.4320 -179.8864 761564.1638 13.9707 13.9966 PRESSURE: 686400 -141.552 27.883 -25.0971 27.8839 -189.887 -75.0056 -25.0975 -75.0057 -365.705 GPRESSURE: 686400 -192.949 53.5151 34.8515 15.4332 -146.719 -93.9496 65.3929 -23.6233 -261.495 PRESSAVG: 686400 47.052 44.2911 -10.9279 44.291 22.7231 35.4536 -10.9279 35.4536 6.48464 GPRESSAVG: 686400 45.8952 43.8323 -9.42585 43.9405 23.4313 34.1111 -10.9961 36.5921 6.87433 TIMING: 686400 CPU: 2163.61, 0.00318758/step Wall: 2163.61, 0.00318758/step, 3.81943 hours remaining, 236.929688 MB of memory in use. ENERGY: 686400 4041.3556 20592.5294 14583.1966 250.4742 -203540.3083 2680.2177 0.0000 0.0000 51804.8221 -109587.7127 297.7230 -161392.5349 -109224.4191 299.1814 -232.3812 -200.3877 762115.1570 25.4199 25.4003 PRESSURE: 686600 57.2699 -255.038 -203.401 -255.039 89.7855 80.7442 -203.401 80.7443 108.072 GPRESSURE: 686600 80.371 -156.408 -250.774 -300.488 125.175 146.478 -65.0247 17.6051 106.567 PRESSAVG: 686600 91.7812 21.4581 -17.3686 21.4581 -76.8274 -22.891 -17.3686 -22.8911 12.4215 GPRESSAVG: 686600 91.6504 20.5271 -16.844 21.6223 -76.7613 -22.6993 -17.4913 -23.2434 12.2944 TIMING: 686600 CPU: 2164.24, 0.00317179/step Wall: 2164.24, 0.00317179/step, 3.80034 hours remaining, 236.929688 MB of memory in use. ENERGY: 686600 3897.8499 20748.5764 14416.2278 258.4621 -203500.6690 2706.5401 0.0000 0.0000 51822.6783 -109650.3343 297.8256 -161473.0126 -109298.2968 298.5075 85.0426 104.0379 761592.6331 9.1251 9.0612 PRESSURE: 686800 -148.4 -91.5558 292.702 -91.556 130.448 -3.97224 292.702 -3.97185 7.39083 GPRESSURE: 686800 -25.8799 3.26178 237.004 -94.6783 50.676 81.0694 228.279 74.2493 34.9944 PRESSAVG: 686800 51.0093 -7.91764 -10.1003 -7.91768 -26.7633 15.3313 -10.1003 15.3313 -8.16223 GPRESSAVG: 686800 52.234 -6.61109 -10.0171 -5.72654 -27.9616 15.6881 -10.9876 14.5793 -8.11967 TIMING: 686800 CPU: 2164.88, 0.00318105/step Wall: 2164.88, 0.00318105/step, 3.81125 hours remaining, 236.929688 MB of memory in use. ENERGY: 686800 3937.7963 20578.8955 14520.2599 230.0294 -203233.7954 2568.5596 0.0000 0.0000 51901.0640 -109497.1909 298.2761 -161398.2549 -109137.2621 298.7682 -3.5203 19.9302 761071.9631 5.3613 5.3842 PRESSURE: 687000 222.679 -163.111 18.9851 -163.111 -79.2292 -130.934 18.9848 -130.933 -54.3894 GPRESSURE: 687000 234.757 -70.5728 31.0415 -176.4 2.56976 -137.395 88.2756 -194.617 -50.7698 PRESSAVG: 687000 -8.49811 -30.8754 -19.4564 -30.8754 23.9135 48.3599 -19.4564 48.3599 -23.0418 GPRESSAVG: 687000 -9.61937 -30.743 -19.5563 -33.7081 23.9746 48.4964 -20.5541 46.8756 -22.426 TIMING: 687000 CPU: 2165.51, 0.00317214/step Wall: 2165.51, 0.00317214/step, 3.8004 hours remaining, 236.929688 MB of memory in use. ENERGY: 687000 4046.5428 20316.4988 14581.8900 251.7633 -203525.2159 2648.0965 0.0000 0.0000 52256.5087 -109423.9158 300.3189 -161680.4245 -109053.4713 298.9544 29.6870 62.1856 761300.5264 -2.5421 -2.6903 PRESSURE: 687200 -140.584 78.7606 -19.935 78.7606 -132.777 129.327 -19.9348 129.326 31.6402 GPRESSURE: 687200 34.0379 54.6527 47.6635 108.911 -169.01 154.66 41.6292 113.538 14.4047 PRESSAVG: 687200 25.4926 -8.27015 36.585 -8.2701 -34.2817 23.9348 36.5851 23.9347 4.05434 GPRESSAVG: 687200 25.4002 -9.31251 34.6209 -5.99287 -33.0443 22.6758 37.9833 25.5789 3.68424 TIMING: 687200 CPU: 2166.15, 0.00318466/step Wall: 2166.15, 0.00318466/step, 3.81522 hours remaining, 236.929688 MB of memory in use. ENERGY: 687200 4038.7067 20489.6866 14524.8158 237.1903 -203652.0712 2786.5276 0.0000 0.0000 52040.9691 -109534.1751 299.0802 -161575.1443 -109170.7247 299.2293 -80.5733 -40.1891 761246.1208 -1.5783 -1.3199 PRESSURE: 687400 -175.869 109.397 -306.396 109.398 -114.259 49.1574 -306.395 49.157 -222.319 GPRESSURE: 687400 -161.24 44.5803 -317.219 3.25542 -83.3754 93.8089 -223.336 170.535 -178.328 PRESSAVG: 687400 35.6052 -20.9111 4.72334 -20.9111 -40.0961 39.4202 4.72333 39.4202 45.0774 GPRESSAVG: 687400 34.9554 -20.7531 6.09608 -21.8379 -39.5733 40.4293 4.88777 39.0896 44.7651 TIMING: 687400 CPU: 2166.78, 0.00317668/step Wall: 2166.78, 0.00317668/step, 3.80549 hours remaining, 236.929688 MB of memory in use. ENERGY: 687400 3991.6102 20494.2984 14398.3167 248.0881 -203353.5613 2521.8758 0.0000 0.0000 51966.1289 -109733.2432 298.6501 -161699.3721 -109368.5577 298.6492 -170.8156 -140.9814 760354.5192 13.5288 13.3824 PRESSURE: 687600 14.765 -120.112 299.962 -120.113 -294.944 -0.0290083 299.962 -0.0293365 -199.009 GPRESSURE: 687600 33.9601 -107.17 314.33 -98.8571 -279.113 40.0682 242.203 -4.04988 -145.861 PRESSAVG: 687600 25.3368 0.209923 68.1299 0.209876 -1.67463 -14.3902 68.1299 -14.3902 4.97319 GPRESSAVG: 687600 27.5755 1.44241 69.2341 -0.307788 -2.28321 -13.1402 69.6198 -14.4151 3.907 TIMING: 687600 CPU: 2167.42, 0.00318513/step Wall: 2167.42, 0.00318513/step, 3.81543 hours remaining, 236.929688 MB of memory in use. ENERGY: 687600 3989.6346 20495.4933 14499.5507 241.8451 -203313.6029 2480.0583 0.0000 0.0000 51745.9578 -109861.0631 297.3847 -161607.0209 -109513.1507 297.8414 -159.7291 -130.3380 759506.6464 9.5451 9.7331 PRESSURE: 687800 -182.42 39.4195 105.551 39.4188 134.262 52.5229 105.55 52.5231 336.864 GPRESSURE: 687800 -89.9349 39.0694 144.582 169.03 76.5051 -84.16 91.4734 -31.7735 365.114 PRESSAVG: 687800 24.3305 -36.1805 -23.9425 -36.1805 -35.4338 -28.8609 -23.9425 -28.8608 -3.74335 GPRESSAVG: 687800 23.4961 -36.5424 -24.1485 -36.5639 -34.7566 -29.975 -24.1166 -27.6096 -2.98099 TIMING: 687800 CPU: 2168.05, 0.00315823/step Wall: 2168.05, 0.00315823/step, 3.78303 hours remaining, 236.929688 MB of memory in use. ENERGY: 687800 3997.1375 20539.7538 14346.5436 241.5513 -203315.2915 2489.5286 0.0000 0.0000 51809.1487 -109891.6280 297.7479 -161700.7767 -109534.2002 298.1207 96.2354 117.2280 760219.1007 -4.9489 -4.7472 PRESSURE: 688000 -18.7859 39.6523 -45.1119 39.6518 94.6396 -35.2397 -45.1123 -35.2396 23.7172 GPRESSURE: 688000 68.8773 115.736 -15.0382 -16.9837 116.293 -24.1598 -25.6601 -36.527 -15.0377 PRESSAVG: 688000 -3.73817 5.05992 9.90072 5.05991 42.4004 7.2677 9.9007 7.26774 -8.51892 GPRESSAVG: 688000 -3.49366 4.35657 9.41114 5.36059 41.3645 6.55851 7.87609 7.29991 -7.59575 TIMING: 688000 CPU: 2168.68, 0.00315791/step Wall: 2168.68, 0.00315791/step, 3.78247 hours remaining, 236.929688 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: 688000 3972.5633 20607.2094 14435.6237 245.5109 -203642.1033 2652.5286 0.0000 0.0000 51969.6301 -109759.0374 298.6702 -161728.6674 -109411.1011 298.4757 33.1903 56.7109 760004.1970 10.0478 10.0917 PRESSURE: 688200 6.99634 -69.5307 -117.801 -69.5311 -66.5893 93.6485 -117.801 93.6479 85.3023 GPRESSURE: 688200 0.0029735 -118.025 -63.0981 -31.972 58.2766 50.8066 -47.1446 119.192 68.1588 PRESSAVG: 688200 -5.20503 -6.24423 -45.5513 -6.24419 43.0153 -11.4832 -45.5514 -11.4832 5.21348 GPRESSAVG: 688200 -6.23205 -3.72436 -45.3819 -6.60524 44.7161 -10.6194 -44.6773 -13.2789 4.4871 TIMING: 688200 CPU: 2169.31, 0.00315071/step Wall: 2169.31, 0.00315072/step, 3.77368 hours remaining, 236.929688 MB of memory in use. ENERGY: 688200 3960.8477 20523.9756 14450.1337 243.7374 -203196.4780 2490.4028 0.0000 0.0000 51973.4274 -109553.9534 298.6920 -161527.3807 -109196.0782 298.9739 8.5698 42.1461 762125.1293 14.3412 14.3237 LDB: ============= START OF LOAD BALANCING ============== 2181.76 LDB: ============== END OF LOAD BALANCING =============== 2181.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2181.77 LDB: ============= START OF LOAD BALANCING ============== 2182.08 LDB: Largest compute 7073 load 0.035210 is 18.1% of average load 0.195061 LDB: Average compute 0.004388 is 2.2% of average load 0.195061 LDB: TIME 2182.09 LOAD: AVG 0.195061 MAX 0.210975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.984 MB LDB: TIME 2182.09 LOAD: AVG 0.195061 MAX 0.210975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: TIME 2182.09 LOAD: AVG 0.195061 MAX 0.210975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.195 MB LDB: ============== END OF LOAD BALANCING =============== 2182.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2182.09 PRESSURE: 688400 -292.121 36.5685 -55.3554 36.5679 47.9951 59.0559 -55.3562 59.0555 -183.044 GPRESSURE: 688400 -192.233 -41.234 -11.774 70.7433 56.1607 51.2062 -181.17 175.582 -212.563 PRESSAVG: 688400 17.9313 -11.5583 -13.4739 -11.5583 30.2157 6.68087 -13.4739 6.6808 -4.2198 GPRESSAVG: 688400 17.6497 -12.4291 -12.3784 -9.83326 29.1538 6.20853 -13.3603 8.98301 -3.19886 TIMING: 688400 CPU: 2169.96, 0.00321541/step Wall: 2169.96, 0.00321541/step, 3.85099 hours remaining, 235.890625 MB of memory in use. ENERGY: 688400 3974.7671 20512.7391 14424.3747 240.0962 -203167.2285 2550.9079 0.0000 0.0000 52001.2167 -109463.1268 298.8517 -161464.3435 -109103.3971 299.1076 -142.3900 -116.2115 761838.9956 14.6424 14.5349 PRESSURE: 688600 310.772 82.1284 229.964 82.1284 323.511 -73.5689 229.964 -73.5684 107.138 GPRESSURE: 688600 355 1.93488 139.583 -7.17141 389.983 -41.9678 81.7401 -42.8578 74.4547 PRESSAVG: 688600 -28.1166 -25.0656 -8.93517 -25.0657 8.95938 -17.7913 -8.93518 -17.7913 0.455261 GPRESSAVG: 688600 -26.4363 -26.9375 -10.2784 -27.269 8.16356 -17.1278 -9.63058 -18.1859 -0.719494 TIMING: 688600 CPU: 2170.59, 0.00315273/step Wall: 2170.59, 0.00315273/step, 3.77575 hours remaining, 236.093750 MB of memory in use. ENERGY: 688600 3968.9568 20553.2652 14455.4837 240.7920 -203322.0170 2739.3915 0.0000 0.0000 51970.6435 -109393.4843 298.6760 -161364.1278 -109036.3949 299.3264 247.1403 273.1458 761174.1667 -6.2340 -6.3307 PRESSURE: 688800 239.144 -227.904 148.784 -227.904 -282.456 -162.49 148.784 -162.49 -396.298 GPRESSURE: 688800 165.348 -148.593 189.178 -63.5579 -174.537 -165.029 92.0745 -84.0439 -355.196 PRESSAVG: 688800 55.7708 -53.7894 30.0414 -53.7894 -14.2331 15.7807 30.0414 15.7808 3.08147 GPRESSAVG: 688800 55.0463 -52.0559 30.29 -50.6545 -13.2418 14.467 29.3843 17.846 3.27922 TIMING: 688800 CPU: 2171.22, 0.00314678/step Wall: 2171.22, 0.00314678/step, 3.76844 hours remaining, 236.093750 MB of memory in use. ENERGY: 688800 4062.1991 20569.2752 14447.3606 246.4599 -203153.2153 2230.5836 0.0000 0.0000 52020.8972 -109576.4397 298.9648 -161597.3369 -109216.6104 299.4203 -146.5367 -121.4619 760921.5107 14.8731 15.0279 PRESSURE: 689000 -165.426 -249.687 -72.8378 -249.688 541.259 -43.3404 -72.8371 -43.3406 173.938 GPRESSURE: 689000 -106.161 -190.677 -99.7129 -184.108 502.74 -70.5185 -147.916 -18.9853 254.068 PRESSAVG: 689000 20.4162 -23.1033 -6.00822 -23.1033 1.39443 8.51166 -6.00828 8.51167 17.4126 GPRESSAVG: 689000 21.333 -23.2912 -5.86083 -24.5856 0.940155 7.60145 -5.42813 5.51802 17.4317 TIMING: 689000 CPU: 2171.85, 0.00316414/step Wall: 2171.85, 0.00316414/step, 3.78906 hours remaining, 236.093750 MB of memory in use. ENERGY: 689000 3918.9009 20455.6734 14462.4456 237.9289 -203375.1000 2529.0595 0.0000 0.0000 52259.3016 -109511.7900 300.3349 -161771.0916 -109135.0600 299.3960 183.2570 216.8822 760039.0841 13.0744 13.2350 PRESSURE: 689200 6.1699 66.6551 -133.739 66.6551 177.366 145.37 -133.739 145.37 -28.4675 GPRESSURE: 689200 75.3242 0.303912 -112.679 26.5411 185.97 199.592 -185.693 139.917 -25.9583 PRESSAVG: 689200 -58.9241 -28.4961 -11.1329 -28.4961 64.347 22.0505 -11.133 22.0505 17.5583 GPRESSAVG: 689200 -59.046 -28.4088 -11.3459 -28.0946 64.8666 23.3168 -10.6641 23.4111 17.0655 TIMING: 689200 CPU: 2172.48, 0.00316009/step Wall: 2172.48, 0.00316009/step, 3.78403 hours remaining, 236.093750 MB of memory in use. ENERGY: 689200 3975.0931 20549.6780 14543.9584 246.2394 -203355.1975 2453.5794 0.0000 0.0000 51851.6698 -109734.9793 297.9923 -161586.6491 -109373.1948 299.4922 51.6895 78.4452 760319.6849 7.6604 7.6287 PRESSURE: 689400 71.0783 124.284 -103.278 124.284 183.358 -128.687 -103.277 -128.687 -286.072 GPRESSURE: 689400 112.268 139.798 -86.2718 172.68 276.533 -113.255 -114.89 -21.995 -337.738 PRESSAVG: 689400 -33.0154 -29.8316 -24.7031 -29.8317 68.6141 -7.80397 -24.7031 -7.80403 11.3569 GPRESSAVG: 689400 -33.1554 -29.5839 -25.568 -29.9963 68.276 -6.43644 -23.7918 -8.46142 11.9986 TIMING: 689400 CPU: 2173.12, 0.00319514/step Wall: 2173.12, 0.00319514/step, 3.82582 hours remaining, 236.093750 MB of memory in use. ENERGY: 689400 4059.7998 20568.7098 14459.2369 230.2319 -203828.6784 2855.2774 0.0000 0.0000 51878.3132 -109777.1094 298.1454 -161655.4226 -109426.9470 298.2723 -10.5450 17.0211 761392.8537 15.6519 15.7064 PRESSURE: 689600 -390.445 16.8808 -62.6954 16.8806 -270.932 -103.56 -62.695 -103.559 -80.0394 GPRESSURE: 689600 -341.617 60.6736 -6.47157 -131.724 -295.354 -131.132 -86.8901 -157.557 -40.8369 PRESSAVG: 689600 -41.7601 10.4715 -49.3858 10.4715 20.8135 -55.2601 -49.3858 -55.2601 -16.5503 GPRESSAVG: 689600 -41.837 12.1262 -48.9811 6.97377 21.4575 -56.6042 -49.3894 -55.5578 -17.0759 TIMING: 689600 CPU: 2173.75, 0.00315763/step Wall: 2173.75, 0.00315763/step, 3.78074 hours remaining, 236.093750 MB of memory in use. ENERGY: 689600 4006.9559 20572.2151 14422.6526 258.5656 -203402.9995 2513.9186 0.0000 0.0000 51832.9797 -109795.7120 297.8848 -161628.6917 -109441.4633 298.3034 -247.1388 -225.9359 762099.5865 -12.4990 -12.4851 PRESSURE: 689800 -102.3 -80.6562 49.6041 -80.6568 -230.571 -13.55 49.6041 -13.5504 5.94156 GPRESSURE: 689800 -53.708 54.1256 66.1199 -89.2147 -220.963 -30.0848 -62.9022 51.6658 49.5282 PRESSAVG: 689800 -15.3458 -45.1888 -31.2091 -45.1889 29.2474 23.2533 -31.2091 23.2533 17.6691 GPRESSAVG: 689800 -16.0019 -46.5729 -30.2256 -42.5894 29.4494 23.3269 -32.0896 23.4932 17.7617 TIMING: 689800 CPU: 2174.39, 0.00317615/step Wall: 2174.39, 0.00317615/step, 3.80274 hours remaining, 236.160156 MB of memory in use. ENERGY: 689800 4023.2035 20419.3050 14458.8777 243.6996 -203173.5089 2328.1091 0.0000 0.0000 51945.3232 -109754.9907 298.5305 -161700.3139 -109383.5894 298.6745 -108.9762 -75.0478 761809.1933 10.5235 10.4031 PRESSURE: 690000 71.6897 -47.6724 -288.175 -47.6726 95.8784 -19.168 -288.175 -19.1685 195.719 GPRESSURE: 690000 100.446 -43.4033 -273.775 -39.7845 171.376 55.8297 -142.126 -15.5468 181.597 PRESSAVG: 690000 -25.218 -60.653 -30.4401 -60.653 -17.2063 -47.2491 -30.4401 -47.2491 5.22966 GPRESSAVG: 690000 -23.4347 -60.8836 -30.8064 -62.8767 -17.9801 -48.6175 -30.3982 -48.1326 4.37905 TIMING: 690000 CPU: 2175.02, 0.00316228/step Wall: 2175.02, 0.00316228/step, 3.78595 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 690000 4012.5007 20268.5168 14485.7098 250.9693 -203536.3786 2782.6207 0.0000 0.0000 52113.0814 -109622.9798 299.4946 -161736.0612 -109251.7666 298.5853 121.0956 151.1398 762097.8293 -12.3982 -12.3452 PRESSURE: 690200 -615.075 -57.8678 59.2725 -57.8677 -359.128 58.4598 59.2725 58.4599 -187.296 GPRESSURE: 690200 -642.003 -63.0941 11.3592 -112.776 -274.914 75.1598 111.357 36.1661 -148.173 PRESSAVG: 690200 -44.7067 -22.5416 33.3422 -22.5416 30.4888 4.47166 33.3421 4.47175 30.5718 GPRESSAVG: 690200 -45.7006 -22.1183 31.9616 -22.4548 30.4469 5.37205 34.687 5.60994 31.7591 TIMING: 690200 CPU: 2175.65, 0.00316672/step Wall: 2175.65, 0.00316672/step, 3.79109 hours remaining, 236.160156 MB of memory in use. ENERGY: 690200 4014.1010 20404.7060 14480.3370 275.4002 -203276.1788 2306.2611 0.0000 0.0000 52076.7202 -109718.6533 299.2856 -161795.3735 -109358.9610 298.4931 -387.1663 -355.0299 762310.1687 5.4513 5.5018 PRESSURE: 690400 71.9459 26.2302 -222.926 26.2308 -89.2419 -114.982 -222.926 -114.981 -277.802 GPRESSURE: 690400 64.1905 9.89586 -228.436 139.355 -26.7986 -61.9596 -175.642 -241.276 -240.896 PRESSAVG: 690400 -55.2113 9.92448 -16.5185 9.92451 28.8382 -1.75343 -16.5185 -1.75339 -2.15171 GPRESSAVG: 690400 -55.7372 9.31521 -15.6858 11.3774 29.9874 -0.991059 -16.6982 -4.11193 -2.10798 TIMING: 690400 CPU: 2176.28, 0.00314066/step Wall: 2176.28, 0.00314066/step, 3.75972 hours remaining, 236.160156 MB of memory in use. ENERGY: 690400 4027.4090 20514.9715 14390.6944 238.1026 -203216.9359 2309.2239 0.0000 0.0000 51843.5592 -109892.9753 297.9456 -161736.5345 -109528.0208 298.6065 -98.3661 -67.8348 760706.2705 -9.5083 -9.2859 PRESSURE: 690600 34.6305 136.084 147.184 136.084 -62.5741 60.0167 147.184 60.0173 244.23 GPRESSURE: 690600 54.431 80.7829 218.638 61.9984 0.045178 89.5313 162.116 13.5905 244.714 PRESSAVG: 690600 10.2747 -82.0101 -5.52321 -82.0101 16.5057 -11.0161 -5.52321 -11.0161 -5.87729 GPRESSAVG: 690600 11.5665 -83.9176 -3.73552 -80.5957 16.4831 -12.3144 -7.87264 -7.45399 -7.48013 TIMING: 690600 CPU: 2176.91, 0.00315191/step Wall: 2176.91, 0.00315191/step, 3.77301 hours remaining, 236.160156 MB of memory in use. ENERGY: 690600 4044.5532 20334.6667 14466.6395 231.9407 -203583.1036 2621.6069 0.0000 0.0000 51841.8606 -110041.8359 297.9359 -161883.6965 -109685.1687 297.7318 72.0954 99.7299 761234.1192 6.9677 6.8565 PRESSURE: 690800 8.89574 -14.0858 -177.827 -14.0849 -115.361 245.161 -177.827 245.16 -507.431 GPRESSURE: 690800 -25.4601 -42.3252 -219.491 47.3753 -18.5934 180.097 -66.0353 122.71 -493.979 PRESSAVG: 690800 53.1108 -28.7319 3.43308 -28.7319 -43.5386 32.6762 3.43314 32.6762 -7.9274 GPRESSAVG: 690800 52.213 -27.1908 0.400348 -29.6947 -44.5946 33.9463 5.99339 29.985 -6.2301 TIMING: 690800 CPU: 2177.54, 0.00314555/step Wall: 2177.54, 0.00314555/step, 3.76523 hours remaining, 236.160156 MB of memory in use. ENERGY: 690800 3975.4918 20374.2104 14511.8349 249.5614 -203912.3858 2619.1018 0.0000 0.0000 52187.4180 -109994.7674 299.9218 -162182.1855 -109623.0920 298.1976 -204.6321 -179.3443 760246.1989 0.5483 0.4627 PRESSURE: 691000 203.131 -38.9282 91.7662 -38.9284 42.507 16.594 91.7665 16.5945 257.933 GPRESSURE: 691000 211.343 55.5684 79.9404 -67.0423 99.4784 77.2974 92.2971 84.5551 267.738 PRESSAVG: 691000 59.2723 -62.2406 -59.0099 -62.2406 9.62791 -26.0172 -59.0099 -26.0172 27.9047 GPRESSAVG: 691000 60.3291 -63.1109 -57.8699 -59.9714 8.68357 -25.9706 -60.4616 -25.6271 27.8539 TIMING: 691000 CPU: 2178.17, 0.00316023/step Wall: 2178.17, 0.00316023/step, 3.78262 hours remaining, 236.160156 MB of memory in use. ENERGY: 691000 3968.1066 20383.6719 14425.2508 229.9342 -203378.8455 2517.9299 0.0000 0.0000 51671.8614 -110182.0907 296.9589 -161853.9521 -109821.7639 298.3995 167.8569 192.8533 760492.3909 32.2683 32.2889 PRESSURE: 691200 -47.1832 -141.791 51.4177 -141.792 53.2756 111.048 51.4175 111.048 22.5606 GPRESSURE: 691200 -98.9305 -28.059 40.0344 -161.053 131.127 151.271 51.8184 -13.2848 91.0744 PRESSAVG: 691200 -39.4537 -43.789 11.8629 -43.7889 -9.06235 -21.1999 11.8629 -21.1998 -19.2486 GPRESSAVG: 691200 -39.5342 -41.4229 12.0753 -46.6327 -7.2655 -19.3332 12.0449 -23.4998 -20.6241 TIMING: 691200 CPU: 2178.81, 0.00317098/step Wall: 2178.81, 0.00317098/step, 3.79531 hours remaining, 236.160156 MB of memory in use. ENERGY: 691200 4028.6211 20411.5272 14427.6286 260.3793 -203493.1170 2690.6592 0.0000 0.0000 51752.9244 -109921.3773 297.4248 -161674.3017 -109579.2666 297.7409 9.5510 41.0902 762665.6803 -22.5882 -22.4746 PRESSURE: 691400 -372.648 -51.9527 191.521 -51.9526 -236.234 -25.799 191.521 -25.7987 79.6463 GPRESSURE: 691400 -291.686 -110.68 181.573 -23.8779 -139.559 -54.2566 146.66 49.5783 -33.9519 PRESSAVG: 691400 9.79305 -10.2424 10.0378 -10.2423 -6.49156 -22.3651 10.0377 -22.365 2.30862 GPRESSAVG: 691400 9.8502 -9.94066 10.153 -9.81559 -6.71384 -25.4687 8.43736 -19.6297 3.09578 TIMING: 691400 CPU: 2179.44, 0.0031652/step Wall: 2179.44, 0.0031652/step, 3.78822 hours remaining, 236.160156 MB of memory in use. ENERGY: 691400 3998.5185 20381.1346 14462.8023 240.3148 -203529.0309 2636.1548 0.0000 0.0000 51881.9291 -109928.1767 298.1662 -161810.1058 -109569.9825 298.6231 -176.4118 -155.0658 761980.5854 1.8700 2.0774 PRESSURE: 691600 -117.395 -108.527 19.0128 -108.527 -15.9021 -180.836 19.0121 -180.836 196.922 GPRESSURE: 691600 -75.7184 -84.0316 38.0271 -150.665 -14.9526 -224.893 16.9262 -96.6268 240.327 PRESSAVG: 691600 26.1355 -42.7684 0.900526 -42.7684 -12.4361 -31.1774 0.900475 -31.1775 -5.91142 GPRESSAVG: 691600 26.5536 -43.7836 0.391277 -44.3736 -12.4567 -31.0654 1.94749 -30.048 -5.89479 TIMING: 691600 CPU: 2180.08, 0.00318984/step Wall: 2180.08, 0.00318984/step, 3.81753 hours remaining, 236.160156 MB of memory in use. ENERGY: 691600 3957.1319 20650.4544 14422.4934 236.4479 -203277.7116 2395.2806 0.0000 0.0000 51812.2297 -109803.6737 297.7656 -161615.9034 -109436.1316 298.7224 21.2084 49.8854 761166.3498 2.5960 2.7341 PRESSURE: 691800 451.899 36.143 -65.5239 36.1425 -24.0869 219.627 -65.5244 219.626 512.356 GPRESSURE: 691800 499.958 173.37 -22.7259 84.5271 51.7247 195.928 -23.2069 98.3887 474.494 PRESSAVG: 691800 37.9114 -2.99105 22.9957 -2.991 23.4857 -15.858 22.9956 -15.858 0.951882 GPRESSAVG: 691800 36.986 -1.47268 23.8626 -1.81816 24.0249 -14.8746 21.3807 -17.1397 0.796142 TIMING: 691800 CPU: 2180.71, 0.00318167/step Wall: 2180.71, 0.00318167/step, 3.80758 hours remaining, 236.160156 MB of memory in use. ENERGY: 691800 3977.4277 20360.9992 14523.2877 250.8349 -203661.4682 2712.9897 0.0000 0.0000 52158.5584 -109677.3705 299.7560 -161835.9289 -109315.9677 298.4726 313.3892 342.0588 760866.7524 20.7830 20.6024 PRESSURE: 692000 -43.8156 75.4601 7.72244 75.4595 274.643 -44.2296 7.72234 -44.229 156.904 GPRESSURE: 692000 6.66996 119.658 -30.1209 54.5949 286.559 19.2583 -29.675 44.8049 181.418 PRESSAVG: 692000 -5.7698 31.7805 -49.2089 31.7805 -25.6484 -1.88101 -49.209 -1.88102 -25.4455 GPRESSAVG: 692000 -4.9394 29.2756 -49.4969 30.987 -25.1367 -1.26308 -49.6681 -2.11208 -26.9617 TIMING: 692000 CPU: 2181.35, 0.00317192/step Wall: 2181.35, 0.00317192/step, 3.79574 hours remaining, 236.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 692000 3987.1983 20435.5063 14437.7600 222.2443 -203337.9804 2491.1230 0.0000 0.0000 51870.5375 -109893.6109 298.1007 -161764.1483 -109524.3922 297.9004 129.2437 158.2156 762310.6712 -18.9546 -19.0126 PRESSURE: 692200 179.222 68.959 97.5178 68.9593 -30.0497 -45.735 97.5184 -45.7346 203.279 GPRESSURE: 692200 160.607 95.2908 35.5252 93.5774 56.3668 -182.683 36.7699 -0.181315 224.375 PRESSAVG: 692200 -27.0426 4.30209 26.1657 4.30206 61.5646 26.7007 26.1657 26.7007 8.72695 GPRESSAVG: 692200 -29.2163 4.01029 25.4049 5.17994 61.9134 26.5813 27.8542 25.2692 10.4277 TIMING: 692200 CPU: 2181.98, 0.00317108/step Wall: 2181.98, 0.00317108/step, 3.79455 hours remaining, 236.160156 MB of memory in use. ENERGY: 692200 3902.4052 20437.1110 14461.7724 246.8802 -203668.1541 2868.1987 0.0000 0.0000 51866.7734 -109885.0131 298.0791 -161751.7865 -109511.0758 298.1437 117.4837 147.1165 760414.6200 14.4163 14.3749 LDB: ============= START OF LOAD BALANCING ============== 2194.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2194.44 LDB: =============== DONE WITH MIGRATION ================ 2194.44 LDB: ============= START OF LOAD BALANCING ============== 2194.76 LDB: Largest compute 7076 load 0.038555 is 19.8% of average load 0.194982 LDB: Average compute 0.004412 is 2.3% of average load 0.194982 LDB: TIME 2194.76 LOAD: AVG 0.194982 MAX 0.211183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.75 MB LDB: TIME 2194.76 LOAD: AVG 0.194982 MAX 0.211183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 2194.76 LOAD: AVG 0.194982 MAX 0.211183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 2194.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2194.77 PRESSURE: 692400 127.875 95.3003 -165.221 95.3007 -56.5341 123.59 -165.221 123.59 128.412 GPRESSURE: 692400 190.461 95.2322 -130.524 51.0022 58.0819 60.0686 -68.63 116.937 19.2681 PRESSAVG: 692400 66.6648 15.0168 -30.9047 15.0168 -49.2256 15.2376 -30.9046 15.2376 -7.19574 GPRESSAVG: 692400 67.2633 16.9934 -29.9214 15.1637 -49.985 13.3209 -30.7922 16.2536 -7.22307 TIMING: 692400 CPU: 2182.63, 0.00324035/step Wall: 2182.63, 0.00324035/step, 3.87726 hours remaining, 236.753906 MB of memory in use. ENERGY: 692400 4014.1973 20385.5797 14543.9382 243.8382 -203127.3815 2375.9376 0.0000 0.0000 51719.4965 -109844.3940 297.2327 -161563.8905 -109490.4898 298.2943 66.5843 89.2704 762816.4702 3.4145 3.3517 PRESSURE: 692600 46.0858 5.6078 -45.8641 5.60859 266.718 77.6116 -45.8642 77.6122 -62.1594 GPRESSURE: 692600 64.4441 -63.6085 -85.3247 97.2297 337.859 85.1882 -93.7536 69.4437 -58.2093 PRESSAVG: 692600 30.6306 16.8393 21.8983 16.8392 5.60907 31.6405 21.8983 31.6405 11.7945 GPRESSAVG: 692600 31.0074 14.6912 20.8878 15.6838 5.41272 32.2605 23.6264 31.0676 11.8006 TIMING: 692600 CPU: 2183.27, 0.00317421/step Wall: 2183.27, 0.00317421/step, 3.79794 hours remaining, 236.753906 MB of memory in use. ENERGY: 692600 3927.0300 20407.4982 14520.9509 225.7724 -203890.7786 3035.7049 0.0000 0.0000 51854.6937 -109919.1285 298.0096 -161773.8222 -109560.5781 298.5951 83.5480 114.6979 760552.5327 16.0114 16.0736 PRESSURE: 692800 59.244 165.053 63.4361 165.054 -102.592 -212.217 63.4353 -212.217 221.721 GPRESSURE: 692800 72.64 263.206 62.0693 95.0445 -37.3373 -211.281 90.5676 -240.613 231.12 PRESSAVG: 692800 32.9466 -17.604 45.5847 -17.604 -6.30191 -20.6085 45.5847 -20.6085 2.28909 GPRESSAVG: 692800 33.693 -15.5755 47.2147 -17.9291 -6.41388 -21.7051 42.6243 -20.268 1.84454 TIMING: 692800 CPU: 2183.9, 0.00316112/step Wall: 2183.9, 0.00316112/step, 3.78211 hours remaining, 236.753906 MB of memory in use. ENERGY: 692800 4065.3641 20290.3532 14536.7550 244.5383 -203448.5867 2483.2840 0.0000 0.0000 51943.5859 -109884.7062 298.5205 -161828.2921 -109529.4017 298.7925 59.4576 88.8076 758773.5509 9.6446 9.7079 PRESSURE: 693000 -34.946 45.0754 -88.3989 45.0752 231.553 -99.8338 -88.399 -99.834 -329.789 GPRESSURE: 693000 40.6837 3.56764 -75.9774 -18.3788 240.083 9.65554 -131.637 -140.014 -321.114 PRESSAVG: 693000 27.1466 -58.6252 -16.0948 -58.6253 -27.7793 12.9209 -16.0948 12.9209 15.2785 GPRESSAVG: 693000 27.6588 -59.6849 -17.8048 -57.1919 -29.6073 14.718 -13.2536 13.604 15.8087 TIMING: 693000 CPU: 2184.53, 0.00315/step Wall: 2184.53, 0.00315/step, 3.76862 hours remaining, 236.753906 MB of memory in use. ENERGY: 693000 4002.9870 20309.4617 14521.8491 252.7659 -203559.7896 2751.9565 0.0000 0.0000 51988.2912 -109732.4782 298.7774 -161720.7694 -109362.2408 298.6957 -44.3939 -13.4491 760294.1566 4.8819 4.6201 PRESSURE: 693200 -328.255 69.5915 162.34 69.592 376.632 -83.051 162.339 -83.0522 -176.463 GPRESSURE: 693200 -254.558 184.271 144.338 3.84027 401.227 -94.6395 26.2336 -149.233 -197.367 PRESSAVG: 693200 19.7196 -19.0115 37.6832 -19.0115 3.79463 -33.6601 37.6831 -33.6601 -2.29316 GPRESSAVG: 693200 19.1632 -20.8165 37.1277 -20.0444 4.3057 -33.8331 38.133 -34.4503 -2.19669 TIMING: 693200 CPU: 2185.16, 0.00315269/step Wall: 2185.16, 0.00315269/step, 3.77167 hours remaining, 236.753906 MB of memory in use. ENERGY: 693200 4049.5044 20484.7507 14462.5383 241.5171 -203645.7635 2778.1488 0.0000 0.0000 51816.5589 -109812.7453 297.7905 -161629.3042 -109464.9458 298.6385 -42.6953 -16.8995 761751.6927 7.0737 7.0908 PRESSURE: 693400 122.442 196.854 -38.191 196.854 -100.237 -9.67571 -38.1903 -9.67523 279.62 GPRESSURE: 693400 173.057 66.2972 -14.9126 165.67 -33.7642 -38.1793 -113.418 56.857 249.477 PRESSAVG: 693400 50.6006 6.55723 48.2547 6.55724 -44.092 -18.7416 48.2547 -18.7416 2.657 GPRESSAVG: 693400 50.2035 7.34431 50.1112 9.79163 -43.6959 -18.6387 45.7089 -20.4241 3.153 TIMING: 693400 CPU: 2185.79, 0.0031694/step Wall: 2185.79, 0.0031694/step, 3.79149 hours remaining, 236.753906 MB of memory in use. ENERGY: 693400 3972.7108 20638.0897 14409.4622 251.0650 -203504.2495 2580.1363 0.0000 0.0000 51620.7500 -110032.0355 296.6652 -161652.7856 -109671.6797 298.3256 100.6082 129.5900 760266.1723 3.0552 3.2202 PRESSURE: 693600 -595.517 29.1677 182.456 29.1681 -362.715 -181.185 182.456 -181.186 -404.556 GPRESSURE: 693600 -494.766 2.0259 222.206 -62.1129 -366.541 -86.7495 71.8601 -186.009 -384.612 PRESSAVG: 693600 74.2306 -13.1915 4.0299 -13.1916 -70.6536 -2.59308 4.02987 -2.59307 15.5553 GPRESSAVG: 693600 74.579 -12.2142 5.47806 -15.6601 -70.5339 -3.28569 3.86477 1.63031 15.6622 TIMING: 693600 CPU: 2186.43, 0.00317748/step Wall: 2186.43, 0.00317748/step, 3.80098 hours remaining, 236.753906 MB of memory in use. ENERGY: 693600 4016.2170 20479.2445 14392.8020 245.2579 -203684.3427 2512.3295 0.0000 0.0000 51899.3914 -110139.1003 298.2665 -162038.4917 -109775.4197 298.5882 -454.2628 -415.3062 762234.9902 6.3774 6.5691 PRESSURE: 693800 133.776 0.839551 27.3479 0.839782 -30.7939 -29.0997 27.3475 -29.0997 -353.638 GPRESSURE: 693800 138.809 35.1877 52.6425 78.9556 -68.2553 -41.5536 72.9656 -173.11 -260.64 PRESSAVG: 693800 56.5442 -44.1822 -18.549 -44.1821 -19.8055 6.5001 -18.549 6.50012 7.83653 GPRESSAVG: 693800 58.1751 -43.9995 -21.2777 -43.2925 -20.6337 7.40634 -17.3983 2.96274 7.08209 TIMING: 693800 CPU: 2187.06, 0.00316045/step Wall: 2187.06, 0.00316045/step, 3.78042 hours remaining, 236.753906 MB of memory in use. ENERGY: 693800 3993.6884 20400.2726 14433.2850 241.2709 -203633.2081 2815.2066 0.0000 0.0000 51880.9092 -109868.5754 298.1603 -161749.4846 -109515.2470 298.2051 -83.5518 -63.3621 761983.6124 14.8584 14.8745 PRESSURE: 694000 330.214 146.81 141.335 146.81 -173.248 -90.1142 141.335 -90.1139 -79.215 GPRESSURE: 694000 289.218 1.43041 19.2891 75.7962 -78.837 -2.46235 126.019 14.9889 -65.1728 PRESSAVG: 694000 19.6826 -15.8784 -20.557 -15.8784 -12.3211 2.79718 -20.5569 2.79717 -28.4952 GPRESSAVG: 694000 18.593 -16.7475 -20.4404 -15.8418 -12.617 3.51701 -20.503 3.02931 -27.6076 TIMING: 694000 CPU: 2187.69, 0.00315636/step Wall: 2187.69, 0.00315636/step, 3.77536 hours remaining, 236.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 3989.0277 20466.7545 14486.4592 236.9214 -203750.6135 2893.4571 0.0000 0.0000 51902.3158 -109775.6778 298.2833 -161677.9936 -109413.0065 298.8976 25.9172 48.4026 761711.5683 -7.0446 -7.2106 PRESSURE: 694200 -105.646 -122.178 60.1069 -122.177 -229.333 -213.918 60.1062 -213.918 -388.911 GPRESSURE: 694200 -23.3484 -143.67 89.2126 -158.579 -172.763 -163.672 -50.0136 -135.993 -427.48 PRESSAVG: 694200 -2.04235 -18.7282 4.32893 -18.7282 -40.9299 -4.44231 4.32891 -4.44238 -9.13112 GPRESSAVG: 694200 -3.14389 -18.4218 5.48442 -21.8648 -39.7012 -4.7031 1.91258 -5.18305 -9.29653 TIMING: 694200 CPU: 2188.32, 0.00316285/step Wall: 2188.32, 0.00316285/step, 3.78295 hours remaining, 236.753906 MB of memory in use. ENERGY: 694200 4005.5495 20423.0438 14521.5552 263.3839 -203525.6354 2755.2432 0.0000 0.0000 51959.8512 -109597.0086 298.6140 -161556.8598 -109235.1731 298.5094 -241.2967 -207.8639 761278.8483 -17.3678 -17.3805 PRESSURE: 694400 -51.0765 -69.1863 88.4425 -69.1856 -5.5347 75.0421 88.4433 75.0408 -26.2566 GPRESSURE: 694400 -16.3553 18.5873 128.56 -38.812 -64.2883 29.8252 206.333 8.1471 80.5649 PRESSAVG: 694400 29.3296 20.4235 31.0196 20.4235 -64.4155 -23.2104 31.0196 -23.2103 -24.8425 GPRESSAVG: 694400 30.0148 19.6051 31.1889 22.9141 -65.1171 -24.2026 32.9247 -22.9111 -25.0538 TIMING: 694400 CPU: 2188.96, 0.00315583/step Wall: 2188.96, 0.00315583/step, 3.77438 hours remaining, 236.753906 MB of memory in use. ENERGY: 694400 3964.1261 20281.0990 14569.3735 269.4000 -203795.0149 2884.8914 0.0000 0.0000 52142.3172 -109683.8077 299.6626 -161826.1250 -109325.4447 298.9997 -27.6226 -0.0262 760322.9364 -19.9761 -20.0521 PRESSURE: 694600 -47.6178 31.9556 -25.2967 31.956 73.2329 367.855 -25.296 367.857 70.7718 GPRESSURE: 694600 -57.3521 -97.7017 -43.9423 -15.0293 210.338 393.551 53.2852 188.309 40.6751 PRESSAVG: 694600 40.1323 -5.96804 -7.18452 -5.96809 -59.1279 0.760857 -7.18454 0.760884 -1.97491 GPRESSAVG: 694600 40.6697 -5.49536 -6.3639 -6.33053 -58.6449 0.390341 -6.48412 0.724354 -3.31028 TIMING: 694600 CPU: 2189.59, 0.00316168/step Wall: 2189.59, 0.00316168/step, 3.78119 hours remaining, 236.753906 MB of memory in use. ENERGY: 694600 3993.0232 20360.9357 14404.6510 226.1447 -203523.9166 2783.7067 0.0000 0.0000 51954.9640 -109800.4912 298.5859 -161755.4553 -109439.1873 298.7435 32.1290 64.5537 760795.7402 -6.9902 -7.0952 PRESSURE: 694800 120.553 30.8266 -54.7279 30.8271 54.4655 18.3547 -54.7286 18.3541 231.399 GPRESSURE: 694800 55.9852 69.7821 -27.8634 -17.0471 185.524 46.3587 -170.825 233.932 235.01 PRESSAVG: 694800 2.10677 -49.4345 -18.1884 -49.4345 -11.4981 24.9259 -18.1884 24.9258 -22.1759 GPRESSAVG: 694800 0.598442 -47.6589 -20.4092 -48.1467 -9.78721 25.6819 -18.8711 27.1418 -21.8498 TIMING: 694800 CPU: 2190.22, 0.00316097/step Wall: 2190.22, 0.00316097/step, 3.78017 hours remaining, 236.753906 MB of memory in use. ENERGY: 694800 3992.1933 20533.1452 14387.3004 247.2585 -203731.2665 2984.4557 0.0000 0.0000 52008.6169 -109578.2965 298.8942 -161586.9134 -109219.7821 298.5224 135.4726 158.8398 760756.3015 -10.5224 -10.3462 PRESSURE: 695000 235.601 -174.03 94.3055 -174.03 265.004 168.799 94.3056 168.8 -65.1505 GPRESSURE: 695000 349.28 -203.197 40.7698 -104.61 225.313 67.0778 33.6889 123.055 -59.8554 PRESSAVG: 695000 22.8821 -95.5053 -58.1903 -95.5054 -55.7408 -12.7305 -58.1903 -12.7307 -18.4385 GPRESSAVG: 695000 24.5809 -95.44 -57.6265 -95.3946 -57.8693 -12.3004 -59.7578 -12.8012 -17.895 TIMING: 695000 CPU: 2190.85, 0.00315264/step Wall: 2190.85, 0.00315264/step, 3.77004 hours remaining, 236.753906 MB of memory in use. ENERGY: 695000 3957.1201 20537.5058 14448.5234 251.5070 -203527.3370 2850.2794 0.0000 0.0000 52133.2749 -109349.1264 299.6106 -161482.4012 -108994.1359 299.0779 145.1514 171.5791 762397.4838 -17.0991 -17.0612 PRESSURE: 695200 -61.3041 25.8835 -95.1011 25.8829 -206.413 97.7695 -95.1009 97.7701 -201.102 GPRESSURE: 695200 -67.7151 -26.9153 -71.8873 -31.3805 -207.44 100.357 -130.007 -3.07075 -102.758 PRESSAVG: 695200 31.3607 5.04763 -63.1626 5.04759 2.84131 -13.717 -63.1626 -13.717 -8.28876 GPRESSAVG: 695200 29.7041 4.58052 -62.8745 2.51749 4.12573 -14.3459 -62.1588 -11.9704 -7.84721 TIMING: 695200 CPU: 2191.48, 0.00315785/step Wall: 2191.48, 0.00315785/step, 3.77609 hours remaining, 236.753906 MB of memory in use. ENERGY: 695200 4005.8073 20404.8568 14496.9042 242.3945 -203135.1409 2523.0927 0.0000 0.0000 52019.5239 -109442.5616 298.9569 -161462.0855 -109069.7332 299.5607 -156.2729 -125.9712 763327.0509 8.6378 8.6609 PRESSURE: 695400 -64.8634 51.6056 105.759 51.6053 5.63573 -226.09 105.759 -226.09 -87.1443 GPRESSURE: 695400 -89.6663 59.3279 115.595 -8.88108 86.9049 -145.293 190.651 -212.882 -69.1579 PRESSAVG: 695400 -21.951 -42.2338 -21.7724 -42.2338 -1.45494 -50.9971 -21.7724 -50.9971 15.2475 GPRESSAVG: 695400 -20.5761 -44.591 -20.2611 -40.842 -3.03201 -50.4035 -21.4171 -52.8909 15.2728 TIMING: 695400 CPU: 2192.12, 0.00316668/step Wall: 2192.12, 0.00316668/step, 3.78647 hours remaining, 236.753906 MB of memory in use. ENERGY: 695400 3939.5575 20629.2155 14464.5323 261.6734 -203287.7627 2591.2015 0.0000 0.0000 51853.7075 -109547.8751 298.0040 -161401.5826 -109188.1430 299.1185 -48.7907 -23.9731 762518.1603 -2.7195 -2.7784 PRESSURE: 695600 -772.844 -38.7451 68.7642 -38.7446 -266.616 -11.0034 68.7643 -11.0033 -212.821 GPRESSURE: 695600 -688.309 -156.192 -1.23392 -34.2866 -310.166 -17.3815 132.776 -31.8917 -179.22 PRESSAVG: 695600 -9.5467 20.0108 1.5941 20.0108 70.2805 13.5933 1.59412 13.5932 3.07636 GPRESSAVG: 695600 -10.9876 20.3362 1.33917 18.2692 72.3371 12.5289 -0.191516 14.2181 2.06829 TIMING: 695600 CPU: 2192.76, 0.00320221/step Wall: 2192.76, 0.00320221/step, 3.82878 hours remaining, 236.753906 MB of memory in use. ENERGY: 695600 4083.0511 20454.1626 14510.7933 251.7400 -202935.3479 2039.1005 0.0000 0.0000 52155.0682 -109441.4322 299.7359 -161596.5004 -109070.4025 299.2512 -417.4271 -392.5651 762455.6465 21.2701 21.1392 PRESSURE: 695800 -15.9927 -8.17383 -77.8979 -8.17384 -245.586 8.79534 -77.8983 8.7957 -99.1708 GPRESSURE: 695800 21.739 96.9159 -78.1959 9.98711 -194.572 -32.0454 -40.6763 -43.7809 -91.8851 PRESSAVG: 695800 -1.88622 -36.1709 -33.1734 -36.1709 25.2696 -28.1179 -33.1735 -28.1177 4.95337 GPRESSAVG: 695800 -0.363276 -35.4426 -32.936 -33.5105 24.669 -27.532 -32.5906 -31.6638 4.09386 TIMING: 695800 CPU: 2193.4, 0.00320951/step Wall: 2193.4, 0.00320951/step, 3.83732 hours remaining, 236.753906 MB of memory in use. ENERGY: 695800 3950.2680 20445.0016 14439.2873 265.3871 -203394.4336 2609.5531 0.0000 0.0000 52298.8684 -109386.0681 300.5623 -161684.9365 -109011.1537 299.7829 -120.2500 -88.2395 761853.8844 9.4456 9.4665 PRESSURE: 696000 47.5192 36.1938 272.86 36.1944 284.667 111.079 272.861 111.08 166.6 GPRESSURE: 696000 20.4319 81.07 349.805 99.5851 372.508 -12.5181 93.9838 153.601 165.197 PRESSAVG: 696000 30.7741 24.2919 12.9258 24.292 45.7785 6.91462 12.9258 6.91464 14.6023 GPRESSAVG: 696000 30.1723 26.5366 12.4462 24.106 45.3553 6.71292 10.9464 9.92304 15.8659 TIMING: 696000 CPU: 2194.04, 0.00321538/step Wall: 2194.04, 0.00321538/step, 3.84416 hours remaining, 236.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 4060.5463 20678.3156 14506.4506 247.7732 -203577.3260 2690.9715 0.0000 0.0000 51896.8093 -109496.4595 298.2517 -161393.2688 -109143.0704 298.8228 166.2620 186.0459 759304.2029 30.3849 30.4645 PRESSURE: 696200 -641.364 132.02 -177.77 132.02 -90.1932 -82.9064 -177.77 -82.9058 -112.996 GPRESSURE: 696200 -527.662 113.08 -257.217 316.9 -83.6025 -37.0694 -50.1017 -72.9124 -164.718 PRESSAVG: 696200 20.6995 -18.325 -12.0346 -18.325 13.1698 -14.8388 -12.0346 -14.8389 -7.96926 GPRESSAVG: 696200 20.8188 -22.1687 -12.0579 -20.8503 13.416 -14.91 -10.5617 -15.9388 -8.63892 TIMING: 696200 CPU: 2194.68, 0.00319138/step Wall: 2194.68, 0.00319138/step, 3.8153 hours remaining, 236.753906 MB of memory in use. ENERGY: 696200 4015.7008 20579.6724 14485.5111 252.5085 -203152.0544 2346.4764 0.0000 0.0000 52098.2190 -109373.9662 299.4092 -161472.1852 -109020.0540 299.1620 -281.5178 -258.6609 762594.7245 8.6334 8.5320 LDB: ============= START OF LOAD BALANCING ============== 2207.13 LDB: ============== END OF LOAD BALANCING =============== 2207.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2207.13 LDB: ============= START OF LOAD BALANCING ============== 2207.45 LDB: Largest compute 7076 load 0.036778 is 18.9% of average load 0.194998 LDB: Average compute 0.004405 is 2.3% of average load 0.194998 LDB: TIME 2207.45 LOAD: AVG 0.194998 MAX 0.21311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.906 MB LDB: TIME 2207.45 LOAD: AVG 0.194998 MAX 0.21311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.965 MB LDB: TIME 2207.45 LOAD: AVG 0.194998 MAX 0.21311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.965 MB LDB: ============== END OF LOAD BALANCING =============== 2207.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2207.46 PRESSURE: 696400 170.385 14.7225 -119.994 14.723 310.971 199.282 -119.995 199.282 475.973 GPRESSURE: 696400 168.749 -0.492705 -84.0577 23.9305 396.512 249.926 -70.6357 252.414 493.497 PRESSAVG: 696400 31.2709 -13.6501 2.92228 -13.6501 -30.3392 10.604 2.92229 10.6039 0.508163 GPRESSAVG: 696400 30.6137 -11.7905 3.00939 -12.6601 -29.4468 11.8276 4.79134 11.4859 0.0408939 TIMING: 696400 CPU: 2195.33, 0.00322875/step Wall: 2195.33, 0.00322875/step, 3.85979 hours remaining, 236.625000 MB of memory in use. ENERGY: 696400 3940.0312 20368.4085 14499.7324 245.6576 -203650.8666 3222.0963 0.0000 0.0000 52176.5731 -109198.3674 299.8595 -161374.9405 -108834.0985 299.0550 319.1097 352.9194 761163.6295 0.4800 0.4026 PRESSURE: 696600 284.177 25.1366 -176.278 25.1365 54.3073 -230.283 -176.277 -230.283 184.478 GPRESSURE: 696600 341.327 15.5144 -189.484 -105.277 119.555 -218.036 -200.461 -234.413 151.134 PRESSAVG: 696600 31.5482 -50.5034 -3.5769 -50.5034 -32.2936 -20.6153 -3.5769 -20.6153 18.8582 GPRESSAVG: 696600 31.6628 -50.9665 -2.07612 -47.9051 -33.6697 -22.0315 -7.03614 -22.3497 20.2866 TIMING: 696600 CPU: 2195.96, 0.00316254/step Wall: 2195.96, 0.00316254/step, 3.78047 hours remaining, 236.625000 MB of memory in use. ENERGY: 696600 3910.6451 20470.6994 14589.1441 248.9998 -203235.8430 2666.2802 0.0000 0.0000 52105.3046 -109244.7699 299.4499 -161350.0745 -108882.8221 299.2947 174.3208 204.0054 762805.4593 6.0376 6.0932 PRESSURE: 696800 -76.2024 27.6313 62.6153 27.6313 -75.0693 -56.9406 62.6146 -56.941 16.6095 GPRESSURE: 696800 -29.7819 -6.92798 47.7652 26.1368 -70.8853 -79.6042 119.074 5.76543 53.8212 PRESSAVG: 696800 -26.2654 -19.4346 -20.0706 -19.4347 -32.8982 -27.6209 -20.0707 -27.6209 -1.57801 GPRESSAVG: 696800 -26.9567 -17.6672 -21.356 -23.5496 -33.8371 -26.8597 -17.646 -26.6592 -0.557124 TIMING: 696800 CPU: 2196.6, 0.00319406/step Wall: 2196.6, 0.00319406/step, 3.81797 hours remaining, 236.625000 MB of memory in use. ENERGY: 696800 3964.2446 20413.8697 14583.8120 237.2327 -203267.7491 2614.5904 0.0000 0.0000 52092.8582 -109361.1415 299.3784 -161453.9997 -108993.3633 298.9480 -44.8874 -15.6153 762832.0465 -20.2472 -20.4503 PRESSURE: 697000 -55.3545 -348.705 -134.921 -348.705 -202.46 141.368 -134.92 141.367 -94.2928 GPRESSURE: 697000 -14.2598 -246.047 -226.646 -287.53 -211.711 168.783 -253.324 71.5938 -57.937 PRESSAVG: 697000 3.4899 -42.2829 -63.4485 -42.2829 -13.9127 36.7193 -63.4485 36.7192 -21.4978 GPRESSAVG: 697000 3.96099 -45.5602 -63.3489 -40.9545 -12.7135 36.7532 -64.2046 35.9831 -22.8986 TIMING: 697000 CPU: 2197.23, 0.00317586/step Wall: 2197.23, 0.00317586/step, 3.79603 hours remaining, 236.625000 MB of memory in use. ENERGY: 697000 3994.5873 20368.0296 14558.9759 256.0604 -202940.7514 2260.8374 0.0000 0.0000 52096.8218 -109405.4390 299.4012 -161502.2608 -109042.9639 298.9871 -117.3690 -94.6361 762611.9774 -10.6402 -10.5504 PRESSURE: 697200 -147.015 213.436 -88.6588 213.436 -47.6025 30.6012 -88.6595 30.6003 -198.304 GPRESSURE: 697200 -85.4117 210.913 -6.61635 193.897 4.76518 123.743 17.231 83.5531 -227.895 PRESSAVG: 697200 17.8392 16.6516 -65.866 16.6516 13.3713 30.4518 -65.8659 30.4518 31.8457 GPRESSAVG: 697200 17.9773 17.0482 -66.1331 18.1318 13.3788 28.851 -65.8907 31.9618 32.1806 TIMING: 697200 CPU: 2197.86, 0.00315621/step Wall: 2197.86, 0.00315621/step, 3.77237 hours remaining, 236.625000 MB of memory in use. ENERGY: 697200 3968.8051 20424.5522 14495.1535 243.0311 -202994.7992 2569.9468 0.0000 0.0000 52094.7496 -109198.5609 299.3892 -161293.3105 -108845.0873 299.0940 -130.9742 -102.8471 763973.2342 21.0187 21.1789 PRESSURE: 697400 -26.2991 -46.2682 216.145 -46.2673 59.7891 -9.45236 216.145 -9.45271 69.615 GPRESSURE: 697400 -21.5426 0.698986 173.273 -59.474 104.254 99.0582 140.056 44.6415 122.169 PRESSAVG: 697400 36.4135 42.5266 52.0104 42.5266 -23.3926 -22.1815 52.0104 -22.1815 -4.24435 GPRESSAVG: 697400 35.0874 43.4663 52.0249 41.5112 -23.0617 -20.788 52.8529 -22.6458 -2.55306 TIMING: 697400 CPU: 2198.5, 0.00317718/step Wall: 2198.5, 0.00317718/step, 3.79726 hours remaining, 236.625000 MB of memory in use. ENERGY: 697400 3982.3872 20303.0094 14575.7332 247.7497 -203021.3152 2606.5263 0.0000 0.0000 52128.1101 -109177.7992 299.5810 -161305.9093 -108817.3979 298.5638 34.3683 68.2932 763758.5233 2.9255 3.1575 PRESSURE: 697600 -439.109 -195.815 -9.40825 -195.815 -265.393 -7.60716 -9.40852 -7.60604 -409.756 GPRESSURE: 697600 -425.029 -270.971 15.1022 -147.772 -194.818 -61.0589 -65.4635 -122.008 -416.621 PRESSAVG: 697600 -6.79857 2.94494 11.9195 2.94498 -3.40446 1.67697 11.9195 1.67698 7.63922 GPRESSAVG: 697600 -5.19683 2.97005 11.7037 1.985 -3.23584 3.18081 10.509 -0.583995 6.20943 TIMING: 697600 CPU: 2199.14, 0.00320328/step Wall: 2199.14, 0.00320328/step, 3.82827 hours remaining, 236.625000 MB of memory in use. ENERGY: 697600 3968.4519 20526.5854 14500.4883 265.6101 -203431.7393 2716.2138 0.0000 0.0000 52230.1583 -109224.2316 300.1674 -161454.3899 -108855.1293 298.8604 -371.4194 -345.4895 765247.7824 -0.8546 -0.7411 PRESSURE: 697800 119.73 88.902 -40.0617 88.9018 214.448 66.2464 -40.062 66.2464 55.8652 GPRESSURE: 697800 317.474 27.0585 -48.3205 59.0766 127.719 94.2628 13.0769 171.317 32.0861 PRESSAVG: 697800 -15.7166 -24.8298 -24.7194 -24.8299 5.37471 -6.08551 -24.7195 -6.08552 -34.9765 GPRESSAVG: 697800 -14.9606 -23.3704 -25.0975 -26.0864 3.51066 -6.82547 -24.0872 -5.83719 -34.3144 TIMING: 697800 CPU: 2199.77, 0.00317107/step Wall: 2199.77, 0.00317107/step, 3.7896 hours remaining, 236.671875 MB of memory in use. ENERGY: 697800 3936.7764 20320.8351 14537.5983 253.5841 -203391.3025 2751.2201 0.0000 0.0000 52297.6416 -109293.6469 300.5553 -161591.2885 -108919.9938 299.7707 130.0145 159.0931 762270.3455 -15.1061 -15.2548 PRESSURE: 698000 139.146 194.443 79.1209 194.444 -78.9321 -87.6341 79.121 -87.6334 -112.843 GPRESSURE: 698000 159.598 118.441 159.875 114.917 -3.88467 -96.1759 -76.7945 -59.0802 -123.484 PRESSAVG: 698000 7.9342 -31.272 25.2256 -31.272 45.6625 -12.927 25.2256 -12.9269 -10.5418 GPRESSAVG: 698000 6.07277 -33.0447 26.5193 -31.053 46.0215 -13.9523 25.4958 -12.1999 -9.48408 TIMING: 698000 CPU: 2200.4, 0.00315338/step Wall: 2200.4, 0.00315338/step, 3.76829 hours remaining, 236.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 698000 3958.5209 20514.0788 14546.3235 227.8150 -203407.6351 2851.4509 0.0000 0.0000 51947.7513 -109361.6947 298.5444 -161309.4460 -109010.5343 298.9423 -17.5429 10.7432 762585.9762 14.3516 14.2034 PRESSURE: 698200 418.373 -240.187 -45.6242 -240.188 175.815 -39.5673 -45.6243 -39.5671 573.906 GPRESSURE: 698200 357.65 -220.429 -56.2642 -202.249 246.168 67.8428 0.805873 -62.1947 658.731 PRESSAVG: 698200 -19.7717 -69.5453 23.052 -69.5452 -13.0332 40.5736 23.0521 40.5737 -6.83507 GPRESSAVG: 698200 -18.9505 -69.0932 23.5174 -69.2416 -12.8344 41.9593 22.9853 41.1736 -7.44676 TIMING: 698200 CPU: 2201.04, 0.00316002/step Wall: 2201.04, 0.00316002/step, 3.77605 hours remaining, 236.875000 MB of memory in use. ENERGY: 698200 3872.8156 20473.7024 14566.3103 262.2760 -203921.3945 3080.2004 0.0000 0.0000 52072.4955 -109593.5944 299.2613 -161666.0899 -109241.9818 299.1248 389.3646 420.8495 761627.3674 -13.2133 -13.0772 PRESSURE: 698400 -317.819 121.087 -85.8641 121.088 -88.9673 168.496 -85.8646 168.495 -267.897 GPRESSURE: 698400 -267.715 141.447 24.8456 7.97315 7.81589 131.274 -309.267 89.7721 -342.406 PRESSAVG: 698400 -26.9497 -29.277 -9.55317 -29.277 3.42107 6.54046 -9.55321 6.54047 2.38747 GPRESSAVG: 698400 -26.5705 -29.0507 -8.63186 -27.9746 3.77633 6.5516 -9.78848 6.15351 1.92768 TIMING: 698400 CPU: 2201.67, 0.00317129/step Wall: 2201.67, 0.00317129/step, 3.78934 hours remaining, 236.875000 MB of memory in use. ENERGY: 698400 3909.2377 20655.1886 14521.6098 236.7528 -202960.4665 2304.9730 0.0000 0.0000 51896.5220 -109436.1826 298.2500 -161332.7046 -109079.6009 298.8051 -224.8946 -200.7686 762833.7211 -7.0471 -6.9555 PRESSURE: 698600 -73.6967 -6.02355 94.5494 -6.02418 -282.753 -44.1165 94.5496 -44.1167 -63.5425 GPRESSURE: 698600 -56.1877 -16.3142 100.411 27.5737 -223.413 7.77189 43.3694 133.591 -71.0666 PRESSAVG: 698600 2.02437 -8.17925 -11.4171 -8.17925 -2.97661 -42.488 -11.4171 -42.488 -14.1756 GPRESSAVG: 698600 1.61617 -8.37411 -13.7501 -9.00932 -2.81657 -44.0046 -11.4392 -41.6649 -13.4659 TIMING: 698600 CPU: 2202.3, 0.00316431/step Wall: 2202.3, 0.00316431/step, 3.78083 hours remaining, 236.875000 MB of memory in use. ENERGY: 698600 3949.3639 20309.2033 14543.5747 246.7661 -203316.1927 2409.3546 0.0000 0.0000 52157.0840 -109700.8463 299.7475 -161857.9303 -109340.9487 298.5624 -139.9974 -116.8890 761059.3374 -5.0426 -4.8888 PRESSURE: 698800 -72.7681 -48.6658 -228.127 -48.6663 173.97 -29.1427 -228.127 -29.1443 33.497 GPRESSURE: 698800 -0.835104 77.7511 -264.363 98.6095 138.598 -165.753 -95.6619 -101.793 84.5904 PRESSAVG: 698800 46.8279 9.91982 35.3778 9.91993 -27.5772 -32.4335 35.3778 -32.4335 -23.8934 GPRESSAVG: 698800 45.8431 10.2061 35.8968 11.5435 -27.8104 -31.559 36.8639 -32.949 -23.4142 TIMING: 698800 CPU: 2202.94, 0.00319602/step Wall: 2202.94, 0.00319602/step, 3.81853 hours remaining, 236.875000 MB of memory in use. ENERGY: 698800 3987.8787 20472.6387 14524.4819 227.0033 -203564.4822 2408.7479 0.0000 0.0000 51896.4640 -110047.2677 298.2497 -161943.7317 -109686.1297 298.4387 44.8996 74.1177 760898.3286 -1.5476 -1.7938 PRESSURE: 699000 71.2912 56.7813 -73.1488 56.7803 31.2026 -8.55589 -73.1483 -8.5555 -150.414 GPRESSURE: 699000 20.8372 25.556 -117.483 50.135 84.6899 20.8673 -24.3066 41.313 -75.0398 PRESSAVG: 699000 8.41729 -10.2177 -8.61355 -10.2178 5.4987 -9.27709 -8.61349 -9.277 4.34325 GPRESSAVG: 699000 8.78579 -11.323 -8.7848 -8.79157 6.5023 -11.4634 -9.83945 -8.82383 2.63208 TIMING: 699000 CPU: 2203.57, 0.00316155/step Wall: 2203.57, 0.00316155/step, 3.77718 hours remaining, 236.875000 MB of memory in use. ENERGY: 699000 4006.9947 20436.7448 14424.8216 248.7744 -203744.7179 2708.0828 0.0000 0.0000 51836.0966 -110083.2029 297.9028 -161919.2995 -109717.2836 298.0525 -15.9733 10.1624 760674.0008 6.0864 5.9734 PRESSURE: 699200 -282.467 -59.6155 -16.8925 -59.6166 -352.309 123.719 -16.8928 123.721 67.2502 GPRESSURE: 699200 -178.822 -33.6444 -47.2545 -97.3265 -374.057 89.556 5.33163 116.386 76.9652 PRESSAVG: 699200 -22.6375 8.9004 18.3066 8.90042 -6.95112 -5.06062 18.3066 -5.06058 10.2769 GPRESSAVG: 699200 -22.5719 9.1988 18.7109 7.12782 -8.71138 -3.30347 16.155 -5.42036 11.5859 TIMING: 699200 CPU: 2204.21, 0.00317052/step Wall: 2204.21, 0.00317052/step, 3.78772 hours remaining, 236.875000 MB of memory in use. ENERGY: 699200 4050.7477 20427.7269 14500.9635 226.0046 -203354.0574 2623.2360 0.0000 0.0000 51891.4932 -109633.8856 298.2211 -161525.3787 -109282.9561 298.0800 -189.1756 -158.6381 760536.3985 -6.4373 -6.5658 PRESSURE: 699400 80.4265 191.279 -206.027 191.279 312.409 -80.8169 -206.026 -80.8175 35.3709 GPRESSURE: 699400 73.2414 118.336 -206.734 245.525 318.613 -68.7054 -37.8963 5.8898 104.556 PRESSAVG: 699400 23.423 -44.0262 -30.9125 -44.0263 -9.56967 29.9824 -30.9126 29.9823 -5.03203 GPRESSAVG: 699400 21.9822 -43.0149 -29.352 -43.5502 -7.4848 30.0783 -29.2276 29.3023 -5.21963 TIMING: 699400 CPU: 2204.84, 0.00317816/step Wall: 2204.84, 0.00317816/step, 3.79667 hours remaining, 236.875000 MB of memory in use. ENERGY: 699400 3960.3622 20585.5006 14428.6061 238.2088 -203426.9574 2581.5019 0.0000 0.0000 51951.3124 -109681.4653 298.5649 -161632.7777 -109316.4898 298.1513 142.7355 165.4702 759767.0286 2.9404 3.0926 PRESSURE: 699600 -56.4973 63.8078 -181.186 63.8082 -59.9526 -109.435 -181.185 -109.436 -167.061 GPRESSURE: 699600 -24.2689 122.143 -210.447 -10.3357 -50.6377 -62.0863 -181.524 -300.308 -124.644 PRESSAVG: 699600 -0.956486 -19.7397 -0.412939 -19.7397 -43.5855 -23.3805 -0.412973 -23.3806 -1.18753 GPRESSAVG: 699600 0.646645 -20.8178 -1.51771 -20.0348 -44.7017 -22.6224 -0.950549 -24.1496 -1.76768 TIMING: 699600 CPU: 2205.47, 0.00314843/step Wall: 2205.47, 0.00314843/step, 3.76098 hours remaining, 236.875000 MB of memory in use. ENERGY: 699600 3950.3508 20378.1358 14510.1946 233.6601 -202967.7208 2295.7487 0.0000 0.0000 52013.2070 -109586.4238 298.9206 -161599.6307 -109220.9519 298.8088 -94.5038 -66.5168 760565.7185 -15.2432 -15.2742 PRESSURE: 699800 -83.9447 -140.465 -168.391 -140.465 -6.13268 -105.527 -168.392 -105.528 -145.92 GPRESSURE: 699800 -140.663 -142.31 -158.443 -52.2688 112.648 -151.792 -106.666 -143.778 -135.898 PRESSAVG: 699800 -46.5278 -62.2783 7.94887 -62.2784 20.1763 -39.9249 7.94882 -39.925 -4.45298 GPRESSAVG: 699800 -44.8616 -61.5204 7.82877 -63.5698 19.6084 -39.8648 9.35912 -38.3467 -4.94429 TIMING: 699800 CPU: 2206.11, 0.00316959/step Wall: 2206.11, 0.00316959/step, 3.78607 hours remaining, 236.875000 MB of memory in use. ENERGY: 699800 3934.9683 20398.1144 14482.2702 233.0413 -203497.2660 2633.1639 0.0000 0.0000 52209.9196 -109605.7883 300.0511 -161815.7079 -109239.8097 298.2412 -78.6657 -54.6380 759771.9500 -10.2682 -10.0658 PRESSURE: 700000 -43.6362 35.3609 -217.83 35.3604 -209.461 230.757 -217.829 230.757 -252.427 GPRESSURE: 700000 -50.4683 46.6483 -229.605 23.7677 -120.42 287.074 -219.708 222.033 -232.192 PRESSAVG: 700000 47.6955 -30.8108 -2.37877 -30.8108 -42.4208 -18.6633 -2.3787 -18.6633 -5.91295 GPRESSAVG: 700000 46.3028 -31.8642 -2.8347 -29.3059 -42.4816 -19.3324 -5.74775 -16.9384 -4.68179 TIMING: 700000 CPU: 2206.74, 0.00317394/step Wall: 2206.74, 0.00317394/step, 3.79109 hours remaining, 236.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 700000 3957.6905 20391.4266 14507.3130 234.6677 -202917.5725 2460.3253 0.0000 0.0000 51902.5073 -109463.6422 298.2844 -161366.1495 -109107.4063 298.4858 -168.5081 -134.3602 759942.1846 -0.2127 -0.2869 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.014 seconds, 236.875 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 -15.9258 -157.225 -23.9605 -157.226 -248.086 -33.8049 -23.9597 -33.8045 -130.898 GPRESSURE: 700200 32.8252 -171.387 6.3901 -130.879 -208.591 -36.7911 -4.24337 -19.7721 -152.864 PRESSAVG: 700200 26.2175 -40.2758 -5.46475 -40.2758 -2.77615 29.345 -5.46471 29.345 -13.3849 GPRESSAVG: 700200 26.998 -39.0323 -4.58211 -41.0094 -1.85555 29.5407 -5.23555 26.1283 -15.3587 TIMING: 700200 CPU: 2207.4, 0.00327083/step Wall: 2207.4, 0.00327083/step, 3.90665 hours remaining, 237.000000 MB of memory in use. ENERGY: 700200 4000.0566 20445.9889 14507.5303 250.9021 -202885.0720 2521.6498 0.0000 0.0000 51979.6930 -109179.2514 298.7280 -161158.9444 -108818.0506 299.1828 -131.6363 -109.5433 761362.6153 3.3521 3.2613 LDB: ============= START OF LOAD BALANCING ============== 2219.85 LDB: ============== END OF LOAD BALANCING =============== 2219.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2219.86 LDB: ============= START OF LOAD BALANCING ============== 2220.17 LDB: Largest compute 7076 load 0.037528 is 19.2% of average load 0.195052 LDB: Average compute 0.004420 is 2.3% of average load 0.195052 LDB: TIME 2220.18 LOAD: AVG 0.195052 MAX 0.212592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.727 MB LDB: TIME 2220.18 LOAD: AVG 0.195052 MAX 0.212592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: TIME 2220.18 LOAD: AVG 0.195052 MAX 0.212592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: ============== END OF LOAD BALANCING =============== 2220.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2220.18 PRESSURE: 700400 -16.9233 18.8272 44.8819 18.827 -130.649 -273.921 44.8808 -273.921 -109.235 GPRESSURE: 700400 -43.5264 46.5003 95.5874 88.847 -23.9733 -319.514 23.5299 -234.322 -112.402 PRESSAVG: 700400 4.3198 -35.2704 21.4454 -35.2704 -18.6284 5.70659 21.4454 5.70653 -1.0929 GPRESSAVG: 700400 4.63046 -37.7648 21.3751 -32.7582 -20.0801 2.97681 23.9971 10.7721 -0.494263 TIMING: 700400 CPU: 2208.05, 0.00326202/step Wall: 2208.05, 0.00326202/step, 3.89594 hours remaining, 236.468750 MB of memory in use. ENERGY: 700400 3924.7662 20302.5887 14534.5351 244.9795 -203167.7492 2683.3830 0.0000 0.0000 52028.7098 -109448.7868 299.0097 -161477.4966 -109081.7483 299.2918 -85.6022 -59.9673 760251.2488 -5.1338 -5.3146 PRESSURE: 700600 405.989 87.4808 183.703 87.4815 -212.467 -359.846 183.702 -359.848 226.47 GPRESSURE: 700600 360.498 108.929 178.356 44.9095 -145.921 -365.92 30.2969 -82.971 309.422 PRESSAVG: 700600 41.2455 24.5054 22.396 24.5055 -36.8826 6.80164 22.396 6.80166 4.71122 GPRESSAVG: 700600 39.5352 26.0771 23.1901 22.1858 -35.5086 8.75794 20.3089 3.06386 4.9741 TIMING: 700600 CPU: 2208.68, 0.00317247/step Wall: 2208.68, 0.00317248/step, 3.78882 hours remaining, 236.695312 MB of memory in use. ENERGY: 700600 3985.2295 20372.2427 14501.6423 236.7703 -202955.6138 2341.9413 0.0000 0.0000 52191.5474 -109326.2404 299.9455 -161517.7878 -108968.8134 299.0917 139.9970 174.6666 759615.5205 3.0247 3.0002 PRESSURE: 700800 -87.3978 56.0629 -154.974 56.0626 305.653 164.461 -154.974 164.462 -19.6395 GPRESSURE: 700800 46.2067 48.5647 -110.483 96.8955 208.952 244.298 -102.451 35.4825 18.3456 PRESSAVG: 700800 29.9938 11.7605 35.1518 11.7605 -2.38454 -7.71201 35.1518 -7.71207 25.2486 GPRESSAVG: 700800 30.5959 10.6151 35.3233 13.7628 -3.72816 -6.6788 35.7458 -7.85001 25.4717 TIMING: 700800 CPU: 2209.32, 0.00317578/step Wall: 2209.32, 0.00317578/step, 3.79259 hours remaining, 236.695312 MB of memory in use. ENERGY: 700800 3961.8314 20484.7413 14543.2948 243.9384 -203373.5718 2668.4833 0.0000 0.0000 52061.5845 -109409.6982 299.1986 -161471.2827 -109040.7044 299.2668 66.2051 91.1681 761327.5675 17.6193 17.4465 PRESSURE: 701000 -353.826 -3.95041 -18.7769 -3.94978 446.808 234.046 -18.7762 234.045 106.598 GPRESSURE: 701000 -214.93 22.5161 -48.9653 22.7186 355.129 187.191 -7.03331 151.332 148.244 PRESSAVG: 701000 15.7676 -26.3996 32.8119 -26.3996 -31.7512 28.3214 32.8119 28.3214 -13.5886 GPRESSAVG: 701000 16.0204 -25.3684 31.1642 -28.8468 -32.1627 25.7024 32.3053 30.0378 -13.3299 TIMING: 701000 CPU: 2209.96, 0.00319493/step Wall: 2209.96, 0.00319493/step, 3.81528 hours remaining, 236.695312 MB of memory in use. ENERGY: 701000 3908.6515 20356.5157 14425.5367 242.5576 -202967.6757 2405.0315 0.0000 0.0000 52171.0912 -109458.2913 299.8280 -161629.3825 -109095.5656 298.1941 66.5266 96.1476 762505.4498 -9.8574 -9.8241 PRESSURE: 701200 215.307 -52.829 90.1171 -52.8286 7.34724 -367.114 90.1162 -367.114 -78.1263 GPRESSURE: 701200 207.47 72.7485 19.6527 -46.2013 61.4452 -378.529 226.863 -264.544 -49.4844 PRESSAVG: 701200 29.8926 -24.5558 49.2887 -24.5558 -29.177 57.6272 49.2887 57.6272 -12.9969 GPRESSAVG: 701200 30.835 -24.1874 50.0398 -23.3101 -29.8715 58.6752 49.7068 57.3049 -13.8694 TIMING: 701200 CPU: 2210.59, 0.00315176/step Wall: 2210.59, 0.00315176/step, 3.76355 hours remaining, 236.761719 MB of memory in use. ENERGY: 701200 3880.4856 20449.2368 14568.8721 250.9022 -203057.3723 2523.0504 0.0000 0.0000 52026.6500 -109358.1752 298.9979 -161384.8252 -109000.4690 298.8309 48.1759 73.1437 762300.5575 -4.0937 -4.3020 PRESSURE: 701400 126.143 -34.9069 182.277 -34.9061 -129.088 -160.281 182.276 -160.28 -177.068 GPRESSURE: 701400 211.07 -10.5847 137.16 -56.5995 -150.313 -123.122 95.3424 -165.22 -147.707 PRESSAVG: 701400 -33.1479 -9.73858 2.61117 -9.73868 8.28489 54.7076 2.61113 54.7077 5.00788 GPRESSAVG: 701400 -34.8903 -11.8603 2.74187 -8.06843 10.0955 55.0276 3.12442 56.3351 4.93851 TIMING: 701400 CPU: 2211.22, 0.0031792/step Wall: 2211.22, 0.0031792/step, 3.79614 hours remaining, 236.761719 MB of memory in use. ENERGY: 701400 3999.9083 20429.4760 14547.7098 247.0727 -203020.7444 2632.8441 0.0000 0.0000 52052.9896 -109110.7440 299.1492 -161163.7336 -108751.7810 299.3848 -60.0044 -28.9834 763524.4575 -6.6184 -6.6188 PRESSURE: 701600 -282.138 -3.81257 107.488 -3.81401 -252.855 36.9235 107.488 36.9238 -44.9707 GPRESSURE: 701600 -266.157 52.7045 43.6212 -70.4031 -240.684 111.639 163.819 102.026 1.00935 PRESSAVG: 701600 -21.5391 4.9849 -7.3693 4.98486 31.9154 63.2573 -7.36932 63.2573 -3.78617 GPRESSAVG: 701600 -20.6357 6.58528 -7.51361 2.59753 30.0217 63.6736 -8.01309 62.3038 -2.85577 TIMING: 701600 CPU: 2211.86, 0.00317113/step Wall: 2211.86, 0.00317113/step, 3.78633 hours remaining, 236.761719 MB of memory in use. ENERGY: 701600 3959.7306 20357.7322 14502.5085 253.6561 -202987.4951 2539.0513 0.0000 0.0000 52090.2157 -109284.6007 299.3632 -161374.8164 -108931.9230 299.2582 -193.3213 -168.6105 763557.3457 2.1967 2.1768 PRESSURE: 701800 -190.78 -227.492 75.483 -227.492 210.601 45.7677 75.4832 45.7683 176.713 GPRESSURE: 701800 -126.863 -279.843 85.8108 -149.938 235.33 41.1713 158.227 18.515 181.345 PRESSAVG: 701800 -39.2672 -41.1395 -5.01022 -41.1394 50.5667 6.51473 -5.01014 6.51471 15.213 GPRESSAVG: 701800 -39.3798 -41.4898 -5.31297 -40.0016 50.567 4.92493 -3.82988 6.21535 15.1608 TIMING: 701800 CPU: 2212.49, 0.0031643/step Wall: 2212.49, 0.0031643/step, 3.778 hours remaining, 236.761719 MB of memory in use. ENERGY: 701800 4018.7912 20416.8390 14482.1299 256.3206 -203413.7711 2811.9867 0.0000 0.0000 52148.1955 -109279.5081 299.6964 -161427.7036 -108914.3552 299.1586 65.5115 96.6040 762392.7872 8.8375 8.7827 PRESSURE: 702000 11.6784 175.737 138.731 175.736 -155.516 139.001 138.731 139.001 111.864 GPRESSURE: 702000 27.1531 272.18 223.249 114.032 -59.2637 96.3619 73.9988 91.6414 73.8169 PRESSAVG: 702000 10.8041 3.84891 57.4845 3.8489 15.7598 15.6198 57.4845 15.6198 -4.0766 GPRESSAVG: 702000 10.089 4.24453 58.2397 3.64915 16.9478 16.4098 57.2598 15.072 -4.13128 TIMING: 702000 CPU: 2213.13, 0.00318126/step Wall: 2213.13, 0.00318126/step, 3.79807 hours remaining, 236.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 702000 4021.0405 20712.5923 14509.2583 249.4989 -203420.7002 2924.4756 0.0000 0.0000 51830.9135 -109172.9212 297.8730 -161003.8347 -108814.1589 299.7242 -10.6577 13.9021 761323.4895 7.4957 7.6352 PRESSURE: 702200 -197.427 232.293 47.7275 232.292 313.894 53.7422 47.727 53.7428 278.352 GPRESSURE: 702200 -185.218 278.621 36.4051 149.813 319.117 56.806 5.12548 -108.772 340.585 PRESSAVG: 702200 -58.8988 4.17313 13.0386 4.17308 44.8921 11.1364 13.0386 11.1365 18.4987 GPRESSAVG: 702200 -58.0343 4.34554 13.3214 4.82361 44.0017 11.5317 13.2354 11.4373 18.6143 TIMING: 702200 CPU: 2213.76, 0.00317753/step Wall: 2213.76, 0.00317753/step, 3.79344 hours remaining, 236.761719 MB of memory in use. ENERGY: 702200 3971.7381 20413.9119 14511.3312 252.3415 -203271.3493 2827.3923 0.0000 0.0000 52080.6625 -109213.9718 299.3083 -161294.6343 -108847.7729 298.6628 131.6065 158.1612 762527.8981 1.4973 1.5272 PRESSURE: 702400 -153.179 -48.4098 -192.192 -48.41 -250.191 -8.73184 -192.191 -8.73133 132.168 GPRESSURE: 702400 -207.485 -158.044 -157.363 107.536 -75.4902 0.818414 -148.162 74.1329 90.1687 PRESSAVG: 702400 -66.3575 -0.169838 9.47828 -0.169883 80.017 -5.65528 9.47823 -5.65525 0.0866398 GPRESSAVG: 702400 -67.2729 -0.590732 9.67922 -1.87039 81.4613 -5.18326 7.56658 -8.21337 -0.602331 TIMING: 702400 CPU: 2214.4, 0.00318138/step Wall: 2214.4, 0.00318138/step, 3.79786 hours remaining, 236.761719 MB of memory in use. ENERGY: 702400 4035.1148 20520.1997 14447.6867 249.3049 -202948.8653 2392.4921 0.0000 0.0000 52098.2910 -109205.7761 299.4096 -161304.0671 -108844.8919 299.5900 -90.4007 -64.2689 762052.9592 4.5820 4.5287 PRESSURE: 702600 284.426 99.7608 -85.3877 99.7604 275.822 178.237 -85.3883 178.236 29.8751 GPRESSURE: 702600 321.551 201.087 -167.231 164.064 259.518 260.909 36.055 224.164 98.4143 PRESSAVG: 702600 -72.4441 -47.5826 69.5371 -47.5825 87.5987 33.2603 69.537 33.2603 7.71218 GPRESSAVG: 702600 -72.2945 -47.3552 68.5309 -45.7327 87.3255 32.8897 71.7239 35.4583 7.84739 TIMING: 702600 CPU: 2215.04, 0.00318767/step Wall: 2215.04, 0.00318767/step, 3.8052 hours remaining, 236.761719 MB of memory in use. ENERGY: 702600 4118.1220 20294.2740 14472.1244 234.6535 -203198.0061 2795.3516 0.0000 0.0000 52377.1987 -108906.2818 301.0125 -161283.4806 -108539.7393 300.2750 196.7076 226.4942 761996.1630 7.6223 7.6261 PRESSURE: 702800 115.154 120.31 -191.102 120.31 -56.4625 -137.854 -191.102 -137.854 -43.3701 GPRESSURE: 702800 102.897 10.1915 -177.548 65.23 81.0519 -179.506 -226.762 -159.517 -79.3653 PRESSAVG: 702800 16.1031 -32.2625 3.75407 -32.2625 37.5258 -2.98787 3.75404 -2.98786 -22.1165 GPRESSAVG: 702800 16.3533 -33.2395 4.31094 -33.2754 38.1002 -1.78666 2.923 -6.01199 -22.5999 TIMING: 702800 CPU: 2215.67, 0.0031825/step Wall: 2215.67, 0.0031825/step, 3.79885 hours remaining, 236.761719 MB of memory in use. ENERGY: 702800 3968.0827 20454.0587 14467.9231 241.5025 -202647.7901 2435.2493 0.0000 0.0000 52026.2362 -109054.7374 298.9955 -161080.9737 -108685.5536 300.1605 5.1070 34.8612 761109.6776 10.5042 10.6179 PRESSURE: 703000 -162.599 247.394 -12.3047 247.394 99.3057 -113.313 -12.3042 -113.314 60.2206 GPRESSURE: 703000 -34.7755 283.349 -40.937 235.6 85.501 -60.9337 -118.201 -58.486 22.3416 PRESSAVG: 703000 52.7101 -44.6281 -0.928354 -44.6281 -1.45398 15.2135 -0.928447 15.2134 -8.88503 GPRESSAVG: 703000 52.127 -45.5218 0.547111 -40.1642 -2.39886 13.5625 -1.43926 19.5731 -7.75024 TIMING: 703000 CPU: 2216.31, 0.00316981/step Wall: 2216.31, 0.00316981/step, 3.78352 hours remaining, 236.761719 MB of memory in use. ENERGY: 703000 3992.2641 20517.8251 14520.8405 241.8850 -203090.9947 2517.8806 0.0000 0.0000 52254.0619 -109046.2375 300.3048 -161300.2994 -108676.1748 299.9389 -1.0243 24.3557 760836.2912 14.1237 13.9926 PRESSURE: 703200 -247.696 -294.727 -59.4621 -294.729 -173.729 -213.589 -59.4621 -213.588 -151.793 GPRESSURE: 703200 -179.269 -276.81 -23.4434 -228.082 -219.906 -199.577 -79.2026 -280.304 -98.5709 PRESSAVG: 703200 19.7141 -40.3944 -33.2016 -40.3944 -0.914829 38.7113 -33.2016 38.7112 -0.94749 GPRESSAVG: 703200 20.9853 -39.7247 -34.4712 -42.2322 -1.52566 38.2161 -33.146 37.078 -1.6326 TIMING: 703200 CPU: 2216.94, 0.00317868/step Wall: 2216.94, 0.00317868/step, 3.79393 hours remaining, 236.761719 MB of memory in use. ENERGY: 703200 4044.5015 20450.0506 14479.4341 263.6872 -203075.7434 2527.1346 0.0000 0.0000 52077.9687 -109232.9668 299.2928 -161310.9355 -108877.7157 299.5553 -191.0726 -165.9156 763455.4504 5.9506 5.9423 PRESSURE: 703400 112.274 -50.7421 58.1516 -50.742 -163.478 351.759 58.1519 351.761 35.1054 GPRESSURE: 703400 110.737 -103.487 70.5745 -38.115 -25.5578 432.22 89.2921 323.823 -12.8856 PRESSAVG: 703400 -1.76901 -58.5717 7.39443 -58.5716 -7.28339 4.08991 7.39441 4.08993 -7.84598 GPRESSAVG: 703400 -4.49472 -57.6193 6.76351 -61.4776 -5.91067 5.01373 7.33509 4.73277 -6.72686 TIMING: 703400 CPU: 2217.58, 0.00318713/step Wall: 2217.58, 0.00318713/step, 3.80384 hours remaining, 236.761719 MB of memory in use. ENERGY: 703400 3991.8162 20524.8147 14508.1055 251.4953 -203189.1623 2545.8128 0.0000 0.0000 52060.1518 -109306.9661 299.1904 -161367.1179 -108954.7700 298.8850 -5.3662 24.0978 762222.5431 -5.6328 -5.7107 PRESSURE: 703600 -191.625 -283.387 -154.696 -283.387 80.6451 -146.943 -154.696 -146.943 227.902 GPRESSURE: 703600 -177.025 -283.015 -151.928 -261.374 111.123 -129.084 -174.035 -50.1828 267.713 PRESSAVG: 703600 -29.4906 -12.0348 61.07 -12.0348 25.7627 64.4541 61.07 64.454 -13.1118 GPRESSAVG: 703600 -28.157 -12.5213 61.0296 -12.3487 25.1351 62.6575 60.1416 64.7836 -13.2702 TIMING: 703600 CPU: 2218.22, 0.00317984/step Wall: 2218.22, 0.00317984/step, 3.79497 hours remaining, 236.761719 MB of memory in use. ENERGY: 703600 3985.3034 20388.3453 14526.2646 244.2504 -203321.3949 2798.1388 0.0000 0.0000 51981.2177 -109397.8746 298.7368 -161379.0923 -109041.6619 299.0687 38.9741 67.2705 761706.4750 -5.6133 -5.4307 PRESSURE: 703800 0.324508 150.132 -1.47369 150.132 67.7004 43.7314 -1.47306 43.7309 -200.899 GPRESSURE: 703800 -0.469175 159.655 20.2485 86.6423 112.506 80.5419 45.2595 -92.3194 -174.423 PRESSAVG: 703800 -45.0552 14.8469 38.5588 14.8469 44.5251 77.5987 38.5588 77.5987 -14.9595 GPRESSAVG: 703800 -44.4992 16.3959 37.967 15.4376 44.5124 77.8989 39.2035 76.7896 -15.1925 TIMING: 703800 CPU: 2218.85, 0.00319125/step Wall: 2218.85, 0.00319125/step, 3.80841 hours remaining, 236.761719 MB of memory in use. ENERGY: 703800 3965.8534 20386.4678 14533.7613 236.6626 -202605.3890 2207.2408 0.0000 0.0000 52161.1571 -109114.2460 299.7709 -161275.4032 -108742.2237 299.1785 -44.2915 -20.7956 763754.4413 -5.1632 -5.0598 PRESSURE: 704000 -184.126 -140.239 -244.49 -140.239 -292.968 63.2296 -244.489 63.2307 -526.494 GPRESSURE: 704000 -151.628 -52.1736 -222.92 -239.676 -263.52 43.5403 -245.023 48.1435 -512.216 PRESSAVG: 704000 51.3919 -7.07676 -8.72884 -7.07674 -47.9047 36.0941 -8.72887 36.0941 13.0863 GPRESSAVG: 704000 50.7299 -6.96189 -8.63189 -5.97541 -47.0886 36.8576 -6.9819 37.1945 12.9625 TIMING: 704000 CPU: 2219.49, 0.00319619/step Wall: 2219.49, 0.00319619/step, 3.81412 hours remaining, 236.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 704000 3983.5824 20645.9902 14504.6904 247.5461 -203235.8745 2621.3021 0.0000 0.0000 52038.3498 -109194.4135 299.0651 -161232.7633 -108833.4685 299.3012 -334.5293 -309.1213 764198.3720 5.5245 5.5346 PRESSURE: 704200 158.345 -314.128 47.149 -314.128 -76.7248 52.1937 47.1488 52.1937 -19.6622 GPRESSURE: 704200 223.068 -329.948 57.1936 -205.506 4.19652 5.63502 24.9884 87.9438 -70.7232 PRESSAVG: 704200 6.33435 -28.8801 51.0843 -28.8802 -15.4418 4.84244 51.0844 4.8424 -0.169828 GPRESSAVG: 704200 7.68268 -27.8831 51.3511 -31.0103 -15.0593 5.173 49.3698 4.83696 -1.64826 TIMING: 704200 CPU: 2220.13, 0.00317979/step Wall: 2220.13, 0.00317979/step, 3.79437 hours remaining, 236.761719 MB of memory in use. ENERGY: 704200 3896.5853 20543.5809 14587.8935 259.6455 -203257.0512 2693.2627 0.0000 0.0000 51977.6173 -109298.4660 298.7161 -161276.0833 -108933.5779 299.0219 20.6525 52.1805 762026.3544 -3.0924 -3.0083 LDB: ============= START OF LOAD BALANCING ============== 2232.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2232.58 LDB: =============== DONE WITH MIGRATION ================ 2232.59 LDB: ============= START OF LOAD BALANCING ============== 2232.9 LDB: Largest compute 7073 load 0.037659 is 19.3% of average load 0.194982 LDB: Average compute 0.004417 is 2.3% of average load 0.194982 LDB: TIME 2232.91 LOAD: AVG 0.194982 MAX 0.214667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.43 MB LDB: TIME 2232.91 LOAD: AVG 0.194982 MAX 0.214667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: TIME 2232.91 LOAD: AVG 0.194982 MAX 0.214667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: ============== END OF LOAD BALANCING =============== 2232.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2232.91 PRESSURE: 704400 29.6257 103.446 80.385 103.445 77.1718 79.1898 80.3852 79.1912 127.248 GPRESSURE: 704400 40.1641 161.088 91.2635 -30.8956 92.9434 108.197 98.8052 46.1532 162.794 PRESSAVG: 704400 43.3324 -54.8088 -20.6429 -54.8089 -42.567 32.9968 -20.6429 32.9968 0.233203 GPRESSAVG: 704400 43.9458 -55.8481 -19.0357 -54.3265 -43.1166 33.2735 -21.163 31.9456 0.813563 TIMING: 704400 CPU: 2220.78, 0.00324537/step Wall: 2220.78, 0.00324537/step, 3.87245 hours remaining, 236.980469 MB of memory in use. ENERGY: 704400 3993.5822 20426.2401 14535.9030 251.7300 -203557.5234 2872.4931 0.0000 0.0000 52244.6303 -109232.9447 300.2506 -161477.5750 -108874.7327 299.6126 78.0151 98.6340 761287.2447 0.3329 0.5476 PRESSURE: 704600 -83.5172 -27.3178 13.7037 -27.3184 79.3373 -438.79 13.7036 -438.79 -271.245 GPRESSURE: 704600 -59.334 33.4345 -23.6189 -25.0531 84.4883 -470.751 -109.653 -317.453 -192.406 PRESSAVG: 704600 24.1536 -23.0409 -5.89708 -23.0409 7.54163 40.5923 -5.89712 40.5923 -1.09106 GPRESSAVG: 704600 24.0161 -23.1635 -8.06742 -23.8056 7.6855 39.8427 -5.64362 41.9902 -1.20949 TIMING: 704600 CPU: 2221.41, 0.00316604/step Wall: 2221.41, 0.00316604/step, 3.77761 hours remaining, 237.183594 MB of memory in use. ENERGY: 704600 4007.5131 20352.6804 14477.8144 251.7023 -203501.3101 2818.3780 0.0000 0.0000 52325.3917 -109267.8302 300.7147 -161593.2219 -108900.6794 299.5693 -91.8082 -55.7504 761863.9741 10.2014 10.1640 PRESSURE: 704800 -125.824 173.694 82.5934 173.694 -95.855 -268.029 82.5931 -268.03 256.902 GPRESSURE: 704800 -43.8288 213.18 109.889 152.508 18.9343 -260.03 88.7185 -92.7647 137.663 PRESSAVG: 704800 13.674 13.1234 29.5058 13.1233 -42.5428 -3.09338 29.5059 -3.09347 22.4242 GPRESSAVG: 704800 13.2363 12.7786 30.7652 15.4273 -41.7525 -3.34353 27.6834 -0.874756 22.7727 TIMING: 704800 CPU: 2222.05, 0.00317192/step Wall: 2222.05, 0.00317192/step, 3.78446 hours remaining, 237.183594 MB of memory in use. ENERGY: 704800 3984.1656 20445.8153 14569.5337 247.5591 -203593.5755 2886.0696 0.0000 0.0000 52093.2000 -109367.2321 299.3803 -161460.4322 -108995.9595 299.2419 11.7410 37.5894 761797.3067 -2.1482 -1.9145 PRESSURE: 705000 169.471 111.022 -255.641 111.022 -85.5079 184.362 -255.642 184.363 -97.4832 GPRESSURE: 705000 73.2108 -83.6627 -253.557 81.3025 21.1619 192.408 -250.998 26.7685 -24.316 PRESSAVG: 705000 37.847 25.1727 0.931393 25.1727 -29.0111 -25.9983 0.931336 -25.9983 4.02497 GPRESSAVG: 705000 36.9923 23.7981 -1.22786 25.4064 -28.8107 -26.0632 2.43995 -28.8179 4.79848 TIMING: 705000 CPU: 2222.68, 0.00317575/step Wall: 2222.68, 0.00317574/step, 3.78884 hours remaining, 237.183594 MB of memory in use. ENERGY: 705000 4006.8123 20708.7315 14465.2843 254.9047 -203274.6779 2468.8648 0.0000 0.0000 51949.4023 -109420.6779 298.5539 -161370.0803 -109067.3018 298.8267 -4.5065 23.3522 761413.9282 4.2870 4.3267 PRESSURE: 705200 27.0881 -134.235 164.851 -134.235 215.179 -289.282 164.851 -289.282 347.437 GPRESSURE: 705200 123.573 -137.819 272.936 -207.504 193.13 -274.572 76.2693 -227.324 360.728 PRESSAVG: 705200 1.79436 -17.814 36.676 -17.8139 -18.4894 10.5542 36.6761 10.5541 0.478018 GPRESSAVG: 705200 2.95499 -18.8778 39.4931 -18.2016 -19.0882 11.6146 37.9725 11.0623 0.0663059 TIMING: 705200 CPU: 2223.32, 0.00319372/step Wall: 2223.32, 0.00319373/step, 3.81011 hours remaining, 237.183594 MB of memory in use. ENERGY: 705200 3989.5239 20566.8728 14428.6466 238.8424 -203853.6995 3022.2973 0.0000 0.0000 52255.2355 -109352.2809 300.3116 -161607.5164 -109000.7500 299.5575 196.5678 225.8103 760721.2883 -5.4057 -5.3556 PRESSURE: 705400 -183.391 -103.372 -186.069 -103.373 -219.045 331.783 -186.068 331.782 -36.012 GPRESSURE: 705400 -43.4142 -3.51785 -301.816 -222.435 -268.921 321.921 -104.321 230.828 -41.4414 PRESSAVG: 705400 -24.5863 -18.1732 55.4913 -18.1732 5.23468 -30.0358 55.4914 -30.0359 -4.91604 GPRESSAVG: 705400 -25.447 -17.2654 53.2724 -20.1607 5.85003 -31.7247 54.3927 -28.5994 -4.89021 TIMING: 705400 CPU: 2223.95, 0.00315175/step Wall: 2223.95, 0.00315175/step, 3.75987 hours remaining, 237.183594 MB of memory in use. ENERGY: 705400 3982.2910 20508.9001 14447.7596 242.2306 -203170.5610 2590.7697 0.0000 0.0000 52189.0073 -109209.6028 299.9309 -161398.6101 -108839.1711 299.5551 -146.1492 -117.9254 761985.0139 -8.0892 -8.1624 PRESSURE: 705600 -94.6348 -219.484 -29.6323 -219.485 45.9327 229.403 -29.6322 229.403 -160.172 GPRESSURE: 705600 -38.9497 -234.433 -42.7482 -185.359 54.4301 151.274 -136.327 174.415 -127.156 PRESSAVG: 705600 23.0663 -16.6605 -62.5131 -16.6605 18.4634 -5.55361 -62.513 -5.55353 12.5392 GPRESSAVG: 705600 22.7694 -15.091 -61.5498 -14.7385 18.2613 -4.75139 -62.8169 -7.38725 13.3926 TIMING: 705600 CPU: 2224.58, 0.00316652/step Wall: 2224.58, 0.00316652/step, 3.77731 hours remaining, 237.183594 MB of memory in use. ENERGY: 705600 3856.3415 20358.1756 14484.6388 254.4319 -202762.6375 2489.5700 0.0000 0.0000 51821.0794 -109498.4002 297.8165 -161319.4797 -109137.5008 299.0576 -69.6246 -37.2252 763565.1536 18.0230 18.1411 PRESSURE: 705800 -279.581 -109.88 -35.4788 -109.88 98.9207 -38.3596 -35.4795 -38.3586 -344.713 GPRESSURE: 705800 -205.044 -127.866 -79.5658 -182.24 71.0002 -119.764 42.1263 19.4753 -304.617 PRESSAVG: 705800 -4.69115 1.37133 4.3012 1.37127 9.64562 3.77234 4.30126 3.77239 -9.71437 GPRESSAVG: 705800 -3.58309 -0.993398 3.74828 1.27159 9.87234 3.04186 5.83443 4.8149 -11.316 TIMING: 705800 CPU: 2225.22, 0.00319639/step Wall: 2225.22, 0.00319639/step, 3.81276 hours remaining, 237.183594 MB of memory in use. ENERGY: 705800 3956.8728 20431.2095 14499.5639 239.2523 -203377.8890 2679.0705 0.0000 0.0000 51994.0550 -109577.8650 298.8105 -161571.9200 -109224.8427 298.8063 -175.1243 -146.2204 761444.2499 -1.5866 -1.6756 PRESSURE: 706000 -119.879 81.6561 -32.4675 81.6556 -172.043 25.6366 -32.4673 25.6359 -307.702 GPRESSURE: 706000 -78.7129 58.0022 68.4198 64.7229 -172.58 48.8811 -97.0682 -67.2831 -253.124 PRESSAVG: 706000 30.6436 -6.33077 28.0502 -6.33069 -11.041 13.7335 28.0501 13.7335 17.6907 GPRESSAVG: 706000 30.6764 -5.6496 28.8693 -7.1701 -11.7231 15.8953 27.7277 14.1182 18.677 TIMING: 706000 CPU: 2225.86, 0.00318642/step Wall: 2225.86, 0.00318642/step, 3.80069 hours remaining, 237.183594 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: 706000 4061.0231 20459.3276 14480.9961 251.0135 -203182.7584 2349.9590 0.0000 0.0000 51968.0766 -109612.3625 298.6613 -161580.4391 -109253.5140 298.6936 -199.8748 -168.1390 762166.0142 12.4311 12.5434 PRESSURE: 706200 -72.6094 133.653 93.9467 133.653 -231.948 46.4034 93.9469 46.4024 240.623 GPRESSURE: 706200 -32.618 179.407 156.194 -32.5086 -130.664 41.6041 113.036 76.1063 186.727 PRESSAVG: 706200 87.0017 -14.598 -1.33328 -14.598 -66.1898 -42.9923 -1.3333 -42.9922 -23.0498 GPRESSAVG: 706200 86.0467 -13.3208 -0.464048 -15.6166 -64.9586 -43.0975 -2.21866 -44.8744 -23.2284 TIMING: 706200 CPU: 2226.49, 0.00316731/step Wall: 2226.49, 0.00316731/step, 3.77772 hours remaining, 237.183594 MB of memory in use. ENERGY: 706200 3986.5773 20456.1015 14538.7927 247.9843 -203505.7020 2570.8427 0.0000 0.0000 52006.0257 -109699.3778 298.8793 -161705.4035 -109339.3470 298.6557 -21.3114 7.8150 760417.2263 -0.7459 -0.7134 PRESSURE: 706400 -130.955 -99.6716 55.6648 -99.6733 10.1513 0.530774 55.6648 0.530393 -137.382 GPRESSURE: 706400 -94.089 -53.4384 -20.5491 -114.446 102.201 -56.4338 -28.7876 6.9422 -161.406 PRESSAVG: 706400 11.5064 68.3459 -7.50359 68.3458 -27.2053 -38.0725 -7.50358 -38.0724 -19.9412 GPRESSAVG: 706400 13.0422 67.1559 -8.92103 69.1907 -27.7208 -39.6043 -8.45082 -36.0355 -20.8068 TIMING: 706400 CPU: 2227.13, 0.00316432/step Wall: 2227.13, 0.00316432/step, 3.77397 hours remaining, 237.183594 MB of memory in use. ENERGY: 706400 4054.3917 20412.5171 14490.7660 250.5225 -203357.9056 2342.8047 0.0000 0.0000 51936.9246 -109869.9790 298.4822 -161806.9036 -109504.6263 298.4185 -86.0617 -51.0979 761578.2883 -11.8800 -11.8285 PRESSURE: 706600 71.4476 141.072 36.1999 141.072 68.3038 -68.0051 36.1993 -68.0064 -0.153965 GPRESSURE: 706600 -41.9714 17.8308 20.9531 64.1241 112.542 -84.6893 -16.8657 -19.1725 134.907 PRESSAVG: 706600 63.8218 -30.3014 -29.1092 -30.3014 -73.1396 -38.0798 -29.1092 -38.0798 -8.58832 GPRESSAVG: 706600 63.1412 -29.2597 -28.4913 -29.143 -72.815 -39.2278 -29.4346 -38.6702 -8.36369 TIMING: 706600 CPU: 2227.76, 0.00314573/step Wall: 2227.76, 0.00314573/step, 3.75163 hours remaining, 237.183594 MB of memory in use. ENERGY: 706600 3981.1221 20510.1007 14425.7185 244.1416 -203816.4435 2967.8359 0.0000 0.0000 51731.2462 -109956.2785 297.3002 -161687.5247 -109604.3278 298.0762 46.5325 68.4924 762410.1249 -5.9687 -6.0125 PRESSURE: 706800 466.997 179.821 -160.981 179.821 -165.128 177.332 -160.981 177.332 -298.378 GPRESSURE: 706800 426.525 107.57 -127.993 78.1747 -41.3312 253.877 -212.07 252.354 -281.804 PRESSAVG: 706800 16.6586 59.224 -34.5995 59.224 -39.38 29.7559 -34.5994 29.7559 13.0116 GPRESSAVG: 706800 15.8724 58.5446 -33.8441 55.5218 -38.1862 32.4326 -33.3907 28.9574 12.6319 TIMING: 706800 CPU: 2228.39, 0.00316258/step Wall: 2228.39, 0.00316258/step, 3.77155 hours remaining, 237.183594 MB of memory in use. ENERGY: 706800 3980.3861 20524.0153 14420.6970 261.1273 -203611.3258 2836.6423 0.0000 0.0000 51711.5602 -109876.8976 297.1870 -161588.4578 -109519.3476 298.0095 1.1636 34.4632 761970.5973 -3.2366 -3.2273 PRESSURE: 707000 -197.704 -34.1382 -145.236 -34.1381 -19.5763 -133.079 -145.237 -133.08 347.873 GPRESSURE: 707000 -105.582 61.8696 -179.924 -127.049 -31.2293 -156.584 -163.301 -15.7092 333.81 PRESSAVG: 707000 61.0099 39.5869 0.606869 39.5868 -45.6008 35.7699 0.606935 35.7699 -28.0699 GPRESSAVG: 707000 60.4062 40.77 -1.97078 41.2704 -45.9978 35.8029 1.91094 36.8784 -26.9769 TIMING: 707000 CPU: 2229.02, 0.00316794/step Wall: 2229.02, 0.00316794/step, 3.77776 hours remaining, 237.183594 MB of memory in use. ENERGY: 707000 3946.4221 20490.1092 14459.9591 264.3549 -203647.6881 2592.4618 0.0000 0.0000 51903.8271 -109990.5540 298.2920 -161894.3811 -109623.9954 297.6633 43.5308 65.6661 760992.6822 -4.2203 -4.1895 PRESSURE: 707200 -138.267 -191.562 -329.734 -191.561 182.448 -87.9362 -329.733 -87.9356 20.0927 GPRESSURE: 707200 -38.3159 -225.898 -301.249 -151.043 145.652 -145.119 -225.894 -103.123 44.1738 PRESSAVG: 707200 54.2032 26.4187 36.9594 26.4187 -19.3374 53.5044 36.9594 53.5044 16.2214 GPRESSAVG: 707200 56.7822 26.5722 38.041 26.4265 -19.808 52.4668 35.2893 52.2575 14.1953 TIMING: 707200 CPU: 2229.66, 0.00319329/step Wall: 2229.66, 0.00319329/step, 3.80782 hours remaining, 237.183594 MB of memory in use. ENERGY: 707200 4012.2774 20300.6957 14501.8866 228.4720 -203813.2688 2981.8087 0.0000 0.0000 51844.3459 -109943.7823 297.9502 -161788.1282 -109591.8863 297.5972 21.4246 50.5034 762210.5853 17.0291 17.0565 PRESSURE: 707400 196.35 -86.2909 364.316 -86.2903 46.8736 -56.9244 364.316 -56.923 372.246 GPRESSURE: 707400 279.216 -102.044 294.477 -149.719 45.532 20.4148 365.873 -119.778 387.204 PRESSAVG: 707400 49.7301 3.22124 -2.80387 3.22123 -32.3254 -5.72439 -2.80388 -5.72431 5.61232 GPRESSAVG: 707400 48.9037 3.01303 -2.3636 2.22703 -33.518 -5.89738 -2.69829 -5.32127 7.11295 TIMING: 707400 CPU: 2230.29, 0.00315299/step Wall: 2230.29, 0.00315299/step, 3.75959 hours remaining, 237.183594 MB of memory in use. ENERGY: 707400 3996.3554 20359.6397 14538.7183 230.9275 -203649.8160 2923.8073 0.0000 0.0000 51845.1766 -109755.1913 297.9549 -161600.3679 -109390.4766 297.9339 205.1565 237.3173 761410.8147 7.6723 7.4996 PRESSURE: 707600 52.1592 -90.4082 -8.06068 -90.4084 -5.9787 37.6742 -8.0604 37.6755 -135.966 GPRESSURE: 707600 126.517 21.8767 -46.1295 -77.9234 -61.9041 95.0693 6.68782 57.6337 -69.0252 PRESSAVG: 707600 -2.06324 -11.3402 10.9791 -11.3402 -27.4798 -22.3768 10.9791 -22.3769 -0.703532 GPRESSAVG: 707600 -2.39491 -12.2 10.7206 -10.9141 -27.7738 -21.0825 11.4451 -21.212 -0.783722 TIMING: 707600 CPU: 2230.93, 0.00319701/step Wall: 2230.93, 0.00319701/step, 3.8119 hours remaining, 237.183594 MB of memory in use. ENERGY: 707600 3959.2444 20410.6010 14449.0635 247.5890 -203053.2984 2356.3725 0.0000 0.0000 51722.3095 -109908.1184 297.2488 -161630.4279 -109552.7359 298.2351 -29.9284 -1.4708 762024.4024 -10.0822 -10.3175 PRESSURE: 707800 107.732 5.10898 -352.377 5.10918 315.427 16.7537 -352.377 16.7536 32.8395 GPRESSURE: 707800 126.722 -54.3565 -309.709 -19.3958 305.192 126.554 -211.906 -10.3394 90.758 PRESSAVG: 707800 -6.705 25.0304 -23.454 25.0305 0.329434 3.55533 -23.454 3.55523 -3.50721 GPRESSAVG: 707800 -7.13028 26.8837 -22.5537 25.4806 0.0816051 2.30869 -24.4268 2.46365 -2.90707 TIMING: 707800 CPU: 2231.56, 0.00316479/step Wall: 2231.56, 0.00316479/step, 3.77331 hours remaining, 237.183594 MB of memory in use. ENERGY: 707800 3967.6941 20437.9932 14459.5020 248.0176 -203585.2225 2593.6284 0.0000 0.0000 52001.8263 -109876.5610 298.8552 -161878.3872 -109519.2040 298.0511 151.9998 174.2239 760315.3154 -3.2943 -3.3186 PRESSURE: 708000 -31.2824 -71.2252 -4.36159 -71.2247 347.718 2.56147 -4.36189 2.55948 -43.004 GPRESSURE: 708000 0.16324 -91.3438 -17.8113 -99.2706 324.91 -29.7727 -37.6309 16.3986 17.2129 PRESSAVG: 708000 -29.8927 62.051 -22.1314 62.051 20.1883 8.73147 -22.1314 8.73142 -8.87159 GPRESSAVG: 708000 -29.4013 61.927 -22.481 61.0637 20.6925 8.76318 -21.8067 8.13291 -9.24158 TIMING: 708000 CPU: 2232.2, 0.00317226/step Wall: 2232.2, 0.00317226/step, 3.78204 hours remaining, 237.183594 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: 708000 3932.2417 20467.8203 14440.5913 240.5664 -203727.9682 2677.9348 0.0000 0.0000 51909.6521 -110059.1617 298.3255 -161968.8138 -109689.2382 298.1505 91.1440 114.0955 759306.4454 -6.1920 -5.9835 PRESSURE: 708200 -1.32133 -16.4454 92.2771 -16.4454 -394.829 -95.0024 92.2775 -95.0026 90.9593 GPRESSURE: 708200 -50.8157 -133.063 58.9187 -61.9549 -285.31 -42.4263 68.7282 -116.664 118.33 PRESSAVG: 708200 13.4134 -1.79155 0.794259 -1.79157 39.5408 47.3647 0.794274 47.3648 -7.51784 GPRESSAVG: 708200 12.6382 -1.56484 0.0948705 -2.37979 39.7697 49.7488 1.11453 46.1319 -7.34949 TIMING: 708200 CPU: 2232.84, 0.00320134/step Wall: 2232.84, 0.00320134/step, 3.81653 hours remaining, 237.183594 MB of memory in use. ENERGY: 708200 3987.4226 20476.0699 14419.4818 242.1435 -203577.5852 2558.1326 0.0000 0.0000 51821.2190 -110073.1157 297.8173 -161894.3347 -109720.6019 298.2487 -101.7304 -72.5986 760687.8698 15.1455 15.0195 LDB: ============= START OF LOAD BALANCING ============== 2245.29 LDB: ============== END OF LOAD BALANCING =============== 2245.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2245.3 LDB: ============= START OF LOAD BALANCING ============== 2245.62 LDB: Largest compute 7072 load 0.036420 is 18.7% of average load 0.194971 LDB: Average compute 0.004407 is 2.3% of average load 0.194971 LDB: TIME 2245.62 LOAD: AVG 0.194971 MAX 0.213921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.98 MB LDB: TIME 2245.62 LOAD: AVG 0.194971 MAX 0.213921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: TIME 2245.62 LOAD: AVG 0.194971 MAX 0.213921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.078 MB LDB: ============== END OF LOAD BALANCING =============== 2245.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2245.63 PRESSURE: 708400 -95.7261 64.4058 48.9678 64.4062 -265.319 165.17 48.968 165.17 -197.07 GPRESSURE: 708400 -100.48 -17.1331 117.935 51.4144 -213.823 185.914 151.965 179.13 -151.808 PRESSAVG: 708400 40.6356 -55.2927 -5.92255 -55.2927 27.5096 -13.761 -5.92254 -13.761 -5.14471 GPRESSAVG: 708400 41.2771 -54.7017 -5.24292 -56.7455 26.6655 -14.5089 -6.04791 -11.8026 -5.44218 TIMING: 708400 CPU: 2233.49, 0.0032661/step Wall: 2233.49, 0.0032661/step, 3.89355 hours remaining, 236.984375 MB of memory in use. ENERGY: 708400 3915.7491 20326.2241 14572.9817 249.9015 -202985.7163 2327.0141 0.0000 0.0000 51753.7594 -109840.0863 297.4296 -161593.8457 -109475.6334 298.1182 -186.0383 -155.3702 762130.8171 21.0002 20.8335 PRESSURE: 708600 -1.28537 163.267 102.047 163.266 -226.11 -94.6302 102.047 -94.6295 -190.516 GPRESSURE: 708600 -89.935 68.1187 75.2158 80.3454 -83.2907 -128.056 16.6297 -130.161 -153.927 PRESSAVG: 708600 39.0931 2.29175 29.4227 2.29168 -68.4373 44.7368 29.4228 44.7368 -15.983 GPRESSAVG: 708600 38.8137 0.181901 27.863 3.20993 -67.8446 45.6392 30.383 44.6317 -15.6794 TIMING: 708600 CPU: 2234.13, 0.00320864/step Wall: 2234.13, 0.00320863/step, 3.82487 hours remaining, 237.187500 MB of memory in use. ENERGY: 708600 3971.8195 20333.7529 14495.4311 272.4171 -203388.8185 2347.5265 0.0000 0.0000 51917.4422 -110050.4291 298.3703 -161967.8713 -109685.2805 298.1718 -139.3038 -109.0510 760829.6365 -15.1091 -14.9035 PRESSURE: 708800 64.8441 -107.577 -162.384 -107.578 36.3437 -49.9859 -162.384 -49.9861 94.7546 GPRESSURE: 708800 129.788 -200.662 -182.988 -61.7256 67.094 -59.6425 -72.3176 -116.323 106.662 PRESSAVG: 708800 10.4458 -79.1528 -5.4664 -79.1529 -4.59822 -4.99707 -5.4664 -4.99702 -16.8076 GPRESSAVG: 708800 11.3215 -78.0486 -2.86183 -77.4414 -4.61195 -5.45747 -6.19812 -5.42653 -17.3503 TIMING: 708800 CPU: 2234.77, 0.00317098/step Wall: 2234.77, 0.00317098/step, 3.77981 hours remaining, 237.187500 MB of memory in use. ENERGY: 708800 3920.4726 20449.5596 14493.4783 248.0651 -203698.5402 2797.4503 0.0000 0.0000 51706.9735 -110082.5408 297.1607 -161789.5143 -109726.2959 297.2671 65.3141 101.1813 760384.2850 -3.6534 -3.5469 PRESSURE: 709000 -289.783 -188.079 295.303 -188.079 -198.404 -33.0685 295.303 -33.0692 110.222 GPRESSURE: 709000 -175.644 -192.365 180.665 -152.113 -226.494 -23.7715 340.036 -47.8301 113.193 PRESSAVG: 709000 8.37528 -48.7005 -23.2241 -48.7005 -3.96358 12.3069 -23.2241 12.3068 18.0957 GPRESSAVG: 709000 7.59032 -49.2047 -24.3474 -49.3351 -2.97131 11.1134 -24.2011 11.7004 18.0949 TIMING: 709000 CPU: 2235.4, 0.0031802/step Wall: 2235.4, 0.0031802/step, 3.79062 hours remaining, 237.187500 MB of memory in use. ENERGY: 709000 3871.8711 20301.7460 14423.6652 240.3847 -203483.9679 2346.9461 0.0000 0.0000 52180.0819 -110119.2728 299.8796 -162299.3547 -109747.7168 297.8969 -125.9886 -96.3149 758940.5764 7.5025 7.5713 PRESSURE: 709200 149.986 37.4388 -144.123 37.4393 297.319 217.756 -144.123 217.756 129.67 GPRESSURE: 709200 210.92 4.67158 -127.204 -105.858 336.718 126.991 -139.916 87.89 117.972 PRESSAVG: 709200 41.9764 -71.3307 -12.3661 -71.3307 26.8328 14.848 -12.3661 14.848 2.69023 GPRESSAVG: 709200 41.07 -71.3126 -11.9474 -72.3194 27.4872 16.3998 -11.4839 15.6942 2.76089 TIMING: 709200 CPU: 2236.04, 0.00317628/step Wall: 2236.04, 0.00317628/step, 3.78577 hours remaining, 237.390625 MB of memory in use. ENERGY: 709200 4067.0590 20323.9370 14472.2081 261.0305 -203563.4847 2842.3033 0.0000 0.0000 51562.4678 -110034.4792 296.3302 -161596.9470 -109670.0133 298.1017 192.3249 221.8704 760024.5811 23.8332 23.7727 PRESSURE: 709400 -169.696 -215.351 0.5973 -215.352 -420.731 125.471 0.597871 125.471 191.897 GPRESSURE: 709400 -136.871 -169.321 -35.1583 -219.08 -382.615 -0.167596 -139.989 -13.0801 209.638 PRESSAVG: 709400 -22.3683 -43.7608 20.3959 -43.7609 -4.63094 -8.15206 20.3958 -8.15208 -16.4713 GPRESSAVG: 709400 -20.857 -43.3416 19.2947 -44.715 -5.26707 -7.90544 19.7071 -7.61632 -16.9354 TIMING: 709400 CPU: 2236.67, 0.00317482/step Wall: 2236.67, 0.00317482/step, 3.78386 hours remaining, 237.390625 MB of memory in use. ENERGY: 709400 3953.8757 20200.6878 14438.2551 252.3689 -202910.0073 2262.8834 0.0000 0.0000 51744.1965 -110057.7398 297.3746 -161801.9363 -109687.2243 297.2269 -132.8435 -103.2825 764002.3185 -14.4901 -14.3531 PRESSURE: 709600 -4.60904 -52.6248 89.9726 -52.625 294.634 -103.041 89.9732 -103.041 432.36 GPRESSURE: 709600 101.983 -47.0335 138.446 25.1198 271.989 -43.4164 -20.1011 -101.006 422.418 PRESSAVG: 709600 18.2238 -22.2783 8.13294 -22.2783 -30.2378 19.8191 8.13291 19.8191 22.8379 GPRESSAVG: 709600 18.5009 -22.1737 7.31909 -21.4768 -31.2947 19.629 9.28952 18.0055 24.005 TIMING: 709600 CPU: 2237.31, 0.00318115/step Wall: 2237.31, 0.00318115/step, 3.79123 hours remaining, 237.390625 MB of memory in use. ENERGY: 709600 3927.1252 20355.4388 14498.8506 240.4785 -203433.5499 2790.4890 0.0000 0.0000 51794.8963 -109826.2717 297.6660 -161621.1679 -109472.2305 297.4864 240.7950 265.4633 760739.8688 3.6079 3.7371 PRESSURE: 709800 107.864 -119.243 78.0628 -119.243 20.3318 168.238 78.0621 168.238 164.708 GPRESSURE: 709800 167.309 -137.221 113.302 -17.2185 25.7537 153.802 129.093 311.72 206.955 PRESSAVG: 709800 21.2906 -65.4926 21.6135 -65.4925 7.79828 -71.5372 21.6136 -71.5371 3.47477 GPRESSAVG: 709800 21.1121 -65.2496 23.7311 -64.0506 9.79468 -73.6178 19.554 -71.5133 1.10594 TIMING: 709800 CPU: 2237.95, 0.00318675/step Wall: 2237.95, 0.00318675/step, 3.79772 hours remaining, 237.390625 MB of memory in use. ENERGY: 709800 3975.7019 20321.7649 14565.1835 261.8697 -203357.3571 2791.3698 0.0000 0.0000 51777.7291 -109663.7382 297.5673 -161441.4673 -109315.2016 298.0967 97.6347 133.3391 761731.1925 10.8546 10.6709 PRESSURE: 710000 -107.671 -60.9273 -147.049 -60.927 -342.575 134.553 -147.048 134.553 84.0241 GPRESSURE: 710000 -4.08255 -7.83078 -191.857 -67.3215 -295.891 92.2163 -55.3331 166.526 27.7506 PRESSAVG: 710000 56.5883 -5.75372 -29.2115 -5.75371 -41.9095 2.73946 -29.2114 2.73938 -15.775 GPRESSAVG: 710000 56.5885 -5.15085 -29.1313 -8.1961 -44.4344 3.75478 -26.3053 3.14697 -13.1837 TIMING: 710000 CPU: 2238.58, 0.00315797/step Wall: 2238.58, 0.00315797/step, 3.76325 hours remaining, 237.390625 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: 710000 3952.9981 20262.5889 14484.1338 234.1974 -203293.9517 2527.1646 0.0000 0.0000 52113.4461 -109719.4229 299.4967 -161832.8691 -109354.4101 298.4676 -122.0739 -90.7408 762335.1662 -0.3654 -0.3432 PRESSURE: 710200 -209.922 8.45666 35.2527 8.45697 -68.3055 -41.0062 35.2523 -41.0072 -229.12 GPRESSURE: 710200 -166.289 70.1109 74.0881 -114.14 -19.5024 28.2616 64.8643 -129.203 -251.156 PRESSAVG: 710200 -11.2312 -31.3902 -32.1958 -31.3902 -0.843484 -14.4281 -32.1958 -14.4281 -13.9359 GPRESSAVG: 710200 -11.851 -32.6276 -31.5845 -30.3789 0.49893 -14.9027 -34.7054 -13.8497 -14.7975 TIMING: 710200 CPU: 2239.21, 0.00315118/step Wall: 2239.21, 0.00315118/step, 3.75498 hours remaining, 237.390625 MB of memory in use. ENERGY: 710200 4053.0255 20345.9774 14495.5401 244.1873 -203413.0885 2621.7780 0.0000 0.0000 51949.1279 -109703.4523 298.5524 -161652.5802 -109337.7580 297.9931 -169.1158 -145.6490 762154.1459 -8.6702 -8.7165 PRESSURE: 710400 -141.397 -47.3403 -165.379 -47.3403 127.391 -111.092 -165.379 -111.091 3.83535 GPRESSURE: 710400 -128.57 60.7924 -127.877 -32.7888 183.235 -97.4632 -80.4302 72.9362 27.7064 PRESSAVG: 710400 -11.3607 -34.6052 -19.9458 -34.6052 -27.8051 -7.74889 -19.9458 -7.74899 -0.594504 GPRESSAVG: 710400 -11.6396 -33.0612 -20.4958 -34.5166 -27.6814 -6.68881 -17.722 -7.93973 -0.592391 TIMING: 710400 CPU: 2239.84, 0.00316763/step Wall: 2239.84, 0.00316763/step, 3.77441 hours remaining, 237.390625 MB of memory in use. ENERGY: 710400 3980.8825 20642.0447 14548.4957 225.7423 -203652.5493 2749.2886 0.0000 0.0000 51777.5664 -109728.5292 297.5664 -161506.0956 -109377.6521 298.1920 -3.3904 27.4571 761706.5727 -13.2534 -13.3044 PRESSURE: 710600 -64.4288 130.515 -189.378 130.515 -71.2996 -86.309 -189.378 -86.3098 -173.477 GPRESSURE: 710600 33.2297 92.2584 -161.471 59.0721 -142.426 -102.041 -52.5779 -143.448 -121.573 PRESSAVG: 710600 23.942 -9.46797 25.7757 -9.46792 9.89244 11.1767 25.7757 11.1767 -13.7193 GPRESSAVG: 710600 24.0432 -9.85052 24.5389 -8.12634 10.1792 11.4647 25.3257 9.06491 -13.6408 TIMING: 710600 CPU: 2240.48, 0.00318293/step Wall: 2240.48, 0.00318293/step, 3.79246 hours remaining, 237.390625 MB of memory in use. ENERGY: 710600 3949.3896 20395.6952 14549.9795 252.3775 -203666.5841 2831.6661 0.0000 0.0000 51913.9519 -109773.5244 298.3502 -161687.4764 -109411.5540 298.0479 -103.0684 -76.9231 761153.6240 6.7051 6.8605 PRESSURE: 710800 116.431 -189.324 53.0437 -189.325 -145.12 292.076 53.0426 292.076 595.622 GPRESSURE: 710800 180.003 -159.606 6.1721 -130.519 -121.576 338.025 -20.9069 309.485 591.647 PRESSAVG: 710800 43.2429 20.4249 -22.0611 20.4248 -53.6176 -38.181 -22.0612 -38.181 6.19404 GPRESSAVG: 710800 44.485 22.3236 -20.197 19.9068 -53.8737 -39.3883 -23.3457 -34.6988 5.12645 TIMING: 710800 CPU: 2241.11, 0.00317155/step Wall: 2241.11, 0.00317155/step, 3.77872 hours remaining, 237.390625 MB of memory in use. ENERGY: 710800 3935.0859 20372.2414 14541.6444 234.7180 -203551.4503 2647.3107 0.0000 0.0000 52104.5611 -109715.8887 299.4456 -161820.4499 -109348.9325 298.1639 188.9776 216.6914 762899.2434 -1.3936 -1.4208 PRESSURE: 711000 -269.104 -85.1904 0.590103 -85.1908 -248.929 124.541 0.590758 124.539 300.149 GPRESSURE: 711000 -266.033 -5.19963 -59.8244 -73.8368 -112.503 88.7853 45.9116 170.381 241.797 PRESSAVG: 711000 -72.8831 4.7816 5.90581 4.78159 35.9317 6.69048 5.90579 6.69045 2.13526 GPRESSAVG: 711000 -74.5486 2.33277 6.0105 5.8836 36.2761 7.36259 6.45227 4.19919 3.58989 TIMING: 711000 CPU: 2241.75, 0.00317379/step Wall: 2241.75, 0.00317379/step, 3.78121 hours remaining, 237.390625 MB of memory in use. ENERGY: 711000 3889.9995 20544.5834 14527.0804 257.2267 -203202.4775 2554.2347 0.0000 0.0000 51791.5449 -109637.8078 297.6467 -161429.3527 -109276.8672 298.5193 -72.6280 -45.5794 763184.6810 -11.6054 -11.5609 PRESSURE: 711200 -48.4376 12.3611 -174.11 12.3612 100.69 107.88 -174.11 107.88 -42.3291 GPRESSURE: 711200 25.7392 -35.678 -163.057 69.5811 82.4464 28.5889 -168.963 127.496 -24.3678 PRESSAVG: 711200 -6.26369 -21.2665 6.82517 -21.2666 5.60491 -1.05609 6.82516 -1.05617 19.1687 GPRESSAVG: 711200 -4.40704 -22.0658 6.76112 -21.4252 5.4727 -0.147554 6.8745 -0.908412 17.9245 TIMING: 711200 CPU: 2242.38, 0.00316869/step Wall: 2242.38, 0.00316869/step, 3.77497 hours remaining, 237.390625 MB of memory in use. ENERGY: 711200 4002.2775 20505.3907 14508.6625 248.6066 -203572.6777 2598.2519 0.0000 0.0000 51994.5802 -109714.9083 298.8136 -161709.4885 -109370.3546 298.2822 3.3077 27.9393 761022.4029 6.1700 6.3300 PRESSURE: 711400 168.863 17.9949 25.8803 17.9951 44.179 -32.0008 25.8799 -31.9995 -48.4571 GPRESSURE: 711400 171.127 -38.9503 -48.6906 -5.12786 111.101 -21.3978 24.33 -71.3222 -44.1694 PRESSAVG: 711400 -40.7733 -63.3778 52.598 -63.3777 13.1252 -15.1315 52.598 -15.1315 7.38424 GPRESSAVG: 711400 -41.4437 -63.9126 51.1929 -62.3824 12.3574 -14.8206 54.9704 -13.6513 8.63615 TIMING: 711400 CPU: 2243.02, 0.00317863/step Wall: 2243.02, 0.00317863/step, 3.78663 hours remaining, 237.390625 MB of memory in use. ENERGY: 711400 3939.1708 20417.6683 14571.1122 264.3402 -203390.8048 2720.5427 0.0000 0.0000 51992.8545 -109485.1162 298.8036 -161477.9706 -109116.0778 299.1065 54.8618 79.3531 762297.5973 -6.7546 -6.8167 PRESSURE: 711600 -451.185 133.122 5.38047 133.124 -928.314 -22.0076 5.3798 -22.0084 -279.96 GPRESSURE: 711600 -389.547 141.744 -117.818 116.021 -880.603 -1.00781 9.61015 -55.9697 -299.565 PRESSAVG: 711600 27.5951 -49.2237 -47.7253 -49.2237 -28.9312 -22.3972 -47.7253 -22.3972 -0.899242 GPRESSAVG: 711600 28.037 -48.3415 -48.2315 -50.0987 -28.9791 -24.1741 -49.4809 -23.5041 -1.76421 TIMING: 711600 CPU: 2243.66, 0.00319255/step Wall: 2243.66, 0.00319255/step, 3.80304 hours remaining, 237.390625 MB of memory in use. ENERGY: 711600 3944.8739 20564.9466 14525.0477 244.7409 -202856.9954 2183.4944 0.0000 0.0000 52005.7773 -109388.1145 298.8779 -161393.8918 -109028.0730 299.2866 -553.1531 -523.2384 761907.1745 -0.7451 -0.9021 PRESSURE: 711800 70.5402 35.8785 11.8051 35.879 -146.921 127.189 11.8043 127.19 197.869 GPRESSURE: 711800 36.1487 -17.3934 -63.0181 -19.3768 -2.38719 166.79 -18.141 103.098 184.785 PRESSAVG: 711800 -7.64593 -35.8314 5.09866 -35.8314 -2.8755 -58.5997 5.09865 -58.5996 8.58756 GPRESSAVG: 711800 -7.39356 -34.5852 6.8629 -35.4825 -2.23259 -56.9928 3.85144 -58.5183 7.53522 TIMING: 711800 CPU: 2244.29, 0.00316919/step Wall: 2244.29, 0.00316919/step, 3.77504 hours remaining, 237.390625 MB of memory in use. ENERGY: 711800 3942.4655 20613.6159 14497.5541 236.5278 -203084.1424 2578.4342 0.0000 0.0000 51794.2640 -109421.2810 297.6623 -161215.5450 -109059.9314 299.4427 40.4959 72.8487 761434.4522 -0.6446 -0.6970 PRESSURE: 712000 -142.911 99.6498 -124.297 99.6498 -241.197 -179.085 -124.298 -179.086 -170.14 GPRESSURE: 712000 -72.9448 130.393 -136.573 84.5762 -228.388 -111.925 -9.34952 -177.096 -155.643 PRESSAVG: 712000 26.1244 -55.824 -27.3445 -55.824 -33.1482 3.34009 -27.3445 3.34006 -3.80476 GPRESSAVG: 712000 26.5895 -58.1214 -26.1338 -55.1708 -34.1875 4.28375 -26.2121 0.881716 -3.57266 TIMING: 712000 CPU: 2244.92, 0.00314916/step Wall: 2244.92, 0.00314916/step, 3.751 hours remaining, 237.390625 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: 712000 3982.7809 20561.7031 14528.4273 269.2880 -203261.9120 2618.2636 0.0000 0.0000 51982.9200 -109318.5291 298.7466 -161301.4491 -108960.1265 299.3577 -184.7492 -152.3253 760863.0318 -3.6095 -3.7236 PRESSURE: 712200 147.912 118.861 48.2347 118.862 -136.629 -66.3507 48.2356 -66.3506 -207.096 GPRESSURE: 712200 239.155 -35.3843 8.86795 151.43 -176.923 -82.9139 73.8731 9.47917 -146.925 PRESSAVG: 712200 27.5229 -14.7792 37.6033 -14.7792 -9.02531 1.22905 37.6034 1.22903 -3.66217 GPRESSAVG: 712200 27.9212 -13.3663 35.2795 -16.9032 -11.2641 0.095255 37.6883 3.76047 -2.34728 TIMING: 712200 CPU: 2245.56, 0.0031781/step Wall: 2245.56, 0.0031781/step, 3.7853 hours remaining, 237.390625 MB of memory in use. ENERGY: 712200 3977.4503 20545.1925 14500.6227 263.2914 -203096.0281 2444.8442 0.0000 0.0000 52151.7620 -109212.8651 299.7169 -161364.6270 -108848.0022 299.3238 -65.2709 -28.2311 760725.0771 4.9451 4.7699 LDB: ============= START OF LOAD BALANCING ============== 2258.01 LDB: ============== END OF LOAD BALANCING =============== 2258.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2258.01 LDB: ============= START OF LOAD BALANCING ============== 2258.33 LDB: Largest compute 7064 load 0.035154 is 18.0% of average load 0.195040 LDB: Average compute 0.004393 is 2.3% of average load 0.195040 LDB: TIME 2258.33 LOAD: AVG 0.19504 MAX 0.215114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.473 MB LDB: TIME 2258.34 LOAD: AVG 0.19504 MAX 0.215114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.566 MB LDB: TIME 2258.34 LOAD: AVG 0.19504 MAX 0.215114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.566 MB LDB: ============== END OF LOAD BALANCING =============== 2258.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2258.34 PRESSURE: 712400 -34.2026 -219.956 -270.732 -219.955 -308.483 -45.5504 -270.733 -45.5505 -38.2936 GPRESSURE: 712400 7.61479 -193.725 -262.043 -135.572 -232.015 -33.9527 -231.456 -4.8237 -52.0073 PRESSAVG: 712400 50.7065 -20.4867 -10.4018 -20.4867 -34.521 -54.6422 -10.4018 -54.6422 2.50704 GPRESSAVG: 712400 49.9363 -21.3191 -9.88532 -19.5366 -32.408 -55.4877 -9.56751 -55.3447 1.20655 TIMING: 712400 CPU: 2246.21, 0.0032567/step Wall: 2246.21, 0.0032567/step, 3.87873 hours remaining, 237.242188 MB of memory in use. ENERGY: 712400 3961.7277 20610.8893 14524.2843 258.1302 -203426.4811 2643.8673 0.0000 0.0000 52209.9791 -109217.6031 300.0515 -161427.5822 -108859.7644 299.9586 -126.9930 -92.1359 763084.7439 6.2308 6.2450 PRESSURE: 712600 -9.75059 96.0474 -200.218 96.0474 -44.6437 27.279 -200.218 27.2784 279.444 GPRESSURE: 712600 58.8054 48.5516 -162.285 88.0069 -30.7872 -10.8665 -236.348 -51.9988 276.846 PRESSAVG: 712600 -20.4707 -42.7092 5.70961 -42.7092 14.102 -0.660069 5.70958 -0.660118 9.03496 GPRESSAVG: 712600 -19.9444 -42.8991 7.19408 -42.2826 14.8811 1.1709 4.08781 -2.07947 8.05514 TIMING: 712600 CPU: 2246.84, 0.00316561/step Wall: 2246.84, 0.00316561/step, 3.77007 hours remaining, 237.312500 MB of memory in use. ENERGY: 712600 3917.3635 20610.6093 14479.3836 233.7549 -203634.1647 2644.1310 0.0000 0.0000 52150.8054 -109598.1169 299.7114 -161748.9223 -109233.4755 299.8042 75.0165 101.6214 759642.8482 0.8887 0.9973 PRESSURE: 712800 -116.381 -256.671 205.073 -256.67 -297.884 134.513 205.072 134.513 -6.60553 GPRESSURE: 712800 -103.321 -180.792 264.253 -242.531 -267.4 106.721 208.58 14.058 12.2742 PRESSAVG: 712800 -11.0741 -58.2587 40.0165 -58.2586 13.9833 20.5784 40.0164 20.5784 5.94408 GPRESSAVG: 712800 -11.6063 -56.9696 38.905 -58.9155 13.4407 19.8291 38.9859 21.7213 6.86624 TIMING: 712800 CPU: 2247.47, 0.00317045/step Wall: 2247.47, 0.00317045/step, 3.77565 hours remaining, 237.312500 MB of memory in use. ENERGY: 712800 3949.7240 20645.9283 14540.0156 254.0497 -203644.0050 2579.4494 0.0000 0.0000 52032.9271 -109641.9107 299.0339 -161674.8379 -109271.4943 299.1608 -140.2903 -119.4820 758654.7972 2.9511 2.9002 PRESSURE: 713000 -108.721 45.0795 -55.6424 45.08 14.7639 177.43 -55.6421 177.43 -90.6562 GPRESSURE: 713000 -60.1841 0.252893 -7.12928 -8.29126 63.9216 183.971 -88.857 91.1104 -106.752 PRESSAVG: 713000 14.2948 -56.7328 1.44243 -56.7328 -15.2381 -3.37603 1.44237 -3.37606 0.0918672 GPRESSAVG: 713000 13.2562 -56.0095 0.980637 -56.6547 -13.2299 -1.07455 2.14385 -5.43458 -0.872098 TIMING: 713000 CPU: 2248.11, 0.00318318/step Wall: 2248.11, 0.00318318/step, 3.79064 hours remaining, 237.312500 MB of memory in use. ENERGY: 713000 3929.9088 20514.6821 14465.0191 241.5057 -203383.0978 2655.7364 0.0000 0.0000 52211.7041 -109364.5416 300.0614 -161576.2457 -108996.8455 299.2068 -61.5377 -34.3383 761255.6116 -0.2838 -0.2819 PRESSURE: 713200 184.525 -202.795 182.767 -202.795 70.3466 135.8 182.767 135.799 153.391 GPRESSURE: 713200 248.791 -124.077 320.27 -115.135 110.346 135.799 119.121 95.1239 145.513 PRESSAVG: 713200 29.416 -57.9754 11.7312 -57.9754 -54.0544 10.3408 11.7312 10.3408 32.525 GPRESSAVG: 713200 30.4859 -59.8523 12.9558 -55.2745 -55.1715 8.86261 13.4901 12.3599 32.7569 TIMING: 713200 CPU: 2248.75, 0.00318648/step Wall: 2248.75, 0.00318648/step, 3.79439 hours remaining, 237.312500 MB of memory in use. ENERGY: 713200 3960.7592 20479.5422 14568.7797 248.8199 -203093.6617 2442.2659 0.0000 0.0000 52035.4762 -109358.0186 299.0486 -161393.4949 -108994.7081 299.4812 136.0878 168.2167 761005.0441 2.6289 2.6904 PRESSURE: 713400 183.177 -44.0479 -56.2217 -44.0473 -224.473 -42.989 -56.2213 -42.989 378.417 GPRESSURE: 713400 202.994 -172.136 13.7165 -63.5992 -160.425 -21.5025 -47.1396 -67.1739 383.906 PRESSAVG: 713400 -1.25997 -84.5082 20.6288 -84.5082 33.9784 13.6086 20.6288 13.6086 4.87438 GPRESSAVG: 713400 -0.799193 -83.8606 19.7474 -85.9469 33.0093 14.1034 19.5474 12.5564 5.49262 TIMING: 713400 CPU: 2249.39, 0.00319509/step Wall: 2249.39, 0.00319509/step, 3.80447 hours remaining, 237.312500 MB of memory in use. ENERGY: 713400 3950.4192 20515.0149 14539.4315 253.5924 -203756.5347 2810.5085 0.0000 0.0000 51980.6816 -109706.8867 298.7337 -161687.5683 -109356.0603 298.6670 112.3735 142.1584 759316.0626 12.5309 12.5676 PRESSURE: 713600 168.114 24.1096 65.2057 24.1103 -22.9365 -308.924 65.205 -308.924 67.6032 GPRESSURE: 713600 139.596 -38.1526 111.781 -31.4714 55.7424 -385.657 72.3725 -306.026 95.0374 PRESSAVG: 713600 -0.121874 30.9066 -0.38401 30.9066 8.85304 -24.3056 -0.384012 -24.3056 -4.79597 GPRESSAVG: 713600 -0.0789874 30.18 -1.14187 30.527 10.0089 -24.2996 -0.153275 -25.4887 -5.6176 TIMING: 713600 CPU: 2250.02, 0.0031651/step Wall: 2250.02, 0.0031651/step, 3.76858 hours remaining, 237.312500 MB of memory in use. ENERGY: 713600 3917.5447 20570.4257 14515.3106 244.6479 -203695.0525 2669.3335 0.0000 0.0000 51835.3766 -109942.4134 297.8986 -161777.7900 -109576.9475 298.3353 70.9270 96.7920 760340.2831 1.3117 1.4374 PRESSURE: 713800 17.7184 -269.75 91.0886 -269.75 -149.303 136.391 91.0882 136.391 -107.651 GPRESSURE: 713800 97.7769 -233.102 78.2923 -207.566 -124.113 192.484 140.697 109.323 -129.683 PRESSAVG: 713800 2.34151 -38.9841 -4.20506 -38.9842 18.7235 -83.3659 -4.20506 -83.366 -2.25016 GPRESSAVG: 713800 2.68245 -37.8394 -4.24953 -39.9305 18.0865 -83.2987 -5.5615 -81.8358 -2.10426 TIMING: 713800 CPU: 2250.66, 0.00317945/step Wall: 2250.66, 0.00317945/step, 3.78548 hours remaining, 237.312500 MB of memory in use. ENERGY: 713800 4024.7982 20361.9670 14526.1787 248.2257 -203467.2742 2636.8916 0.0000 0.0000 51910.4682 -109758.7448 298.3302 -161669.2130 -109397.2244 298.0666 -79.7451 -52.0065 761260.4565 6.2716 6.2216 PRESSURE: 714000 41.6889 -19.5492 -112.571 -19.5485 592.241 0.205423 -112.571 0.204218 174.008 GPRESSURE: 714000 138.784 0.6626 -133.644 -125.995 505.942 -103.075 -118.904 -34.6917 252.427 PRESSAVG: 714000 72.4474 -7.83975 1.35829 -7.83974 -64.2342 -12.3574 1.35823 -12.3575 17.3226 GPRESSAVG: 714000 71.9054 -8.66705 1.45035 -6.47404 -64.1392 -13.0679 2.94283 -13.6163 17.5029 TIMING: 714000 CPU: 2251.29, 0.00318159/step Wall: 2251.29, 0.00318159/step, 3.78786 hours remaining, 237.312500 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: 714000 4002.4216 20421.6086 14496.2711 246.4870 -203828.5332 2994.7092 0.0000 0.0000 51889.2159 -109777.8199 298.2080 -161667.0357 -109422.8216 298.3461 269.3127 299.0512 760934.2339 8.5119 8.4230 PRESSURE: 714200 17.8841 -7.92159 60.082 -7.92274 3.4695 51.1559 60.0824 51.1556 -292.483 GPRESSURE: 714200 63.8428 36.0153 63.2318 -29.9464 -15.2031 16.4311 67.1891 92.292 -240.39 PRESSAVG: 714200 -7.8535 -38.3597 47.9798 -38.3597 36.5348 -16.7144 47.9799 -16.7144 8.89308 GPRESSAVG: 714200 -8.16636 -37.6411 48.0028 -39.8078 36.7471 -17.1391 46.2791 -15.5197 9.20906 TIMING: 714200 CPU: 2251.93, 0.00316768/step Wall: 2251.93, 0.00316768/step, 3.77112 hours remaining, 237.312500 MB of memory in use. ENERGY: 714200 3932.1604 20595.2679 14569.7582 247.8418 -203871.5670 2752.8257 0.0000 0.0000 52102.6874 -109671.0256 299.4349 -161773.7130 -109314.2040 298.6766 -90.3764 -63.9168 761183.9163 12.5248 12.5966 PRESSURE: 714400 -142.965 -122.007 21.0366 -122.006 -264.277 -10.3939 21.0358 -10.3943 -144.048 GPRESSURE: 714400 -121.533 -142.849 7.6904 -103.675 -257.867 20.6086 188.937 119.336 -95.2642 PRESSAVG: 714400 28.8561 -60.998 -0.697458 -60.998 12.7466 -6.78351 -0.697487 -6.78349 -0.295896 GPRESSAVG: 714400 29.8166 -61.5932 0.20094 -58.8364 12.7361 -5.9944 1.13352 -5.2161 -1.2017 TIMING: 714400 CPU: 2252.55, 0.00314251/step Wall: 2252.55, 0.00314251/step, 3.74098 hours remaining, 237.312500 MB of memory in use. ENERGY: 714400 4081.7277 20485.6426 14563.0769 253.3872 -203463.3478 2523.1409 0.0000 0.0000 51932.0348 -109624.3378 298.4541 -161556.3726 -109265.3535 299.0518 -183.7633 -158.2214 761832.9346 13.7689 13.7837 PRESSURE: 714600 335.443 51.3501 -29.3988 51.35 24.0641 66.8566 -29.3982 66.8565 -78.5907 GPRESSURE: 714600 382.819 159.035 44.0856 -20.6282 95.6305 26.5117 140.961 84.5329 -132.229 PRESSAVG: 714600 39.7409 -38.1456 -20.1721 -38.1455 2.09088 -22.4708 -20.1721 -22.4709 -7.32676 GPRESSAVG: 714600 39.123 -38.6337 -21.2431 -39.1362 2.3677 -24.3847 -20.667 -23.7729 -6.84057 TIMING: 714600 CPU: 2253.19, 0.00316733/step Wall: 2253.19, 0.00316733/step, 3.77035 hours remaining, 237.312500 MB of memory in use. ENERGY: 714600 4019.4373 20520.3590 14463.2865 225.0312 -203586.1235 2738.6530 0.0000 0.0000 52059.2330 -109560.1236 299.1851 -161619.3566 -109202.3998 298.9583 93.6389 115.4067 763076.3450 11.5017 11.5500 PRESSURE: 714800 319.202 -120.216 -148.84 -120.215 65.414 51.1421 -148.84 51.1418 65.0901 GPRESSURE: 714800 311.263 -117.844 -81.0048 -196.758 207.371 -6.1012 -261.832 -49.6095 8.42623 PRESSAVG: 714800 3.32809 -18.27 -15.4564 -18.2699 -9.13023 -14.6007 -15.4565 -14.6007 -23.3187 GPRESSAVG: 714800 3.58949 -16.7766 -16.8003 -18.0793 -8.30317 -13.5966 -15.5596 -13.5786 -24.0945 TIMING: 714800 CPU: 2253.82, 0.00316075/step Wall: 2253.82, 0.00316075/step, 3.76235 hours remaining, 237.312500 MB of memory in use. ENERGY: 714800 3976.5128 20580.8498 14502.3384 233.3758 -203927.4892 2951.8219 0.0000 0.0000 51865.1608 -109817.4296 298.0698 -161682.5904 -109452.5131 298.3042 149.9021 175.6868 761333.5115 -9.7070 -9.6027 PRESSURE: 715000 -186.936 -79.2297 75.9045 -79.2299 -27.0952 38.039 75.9047 38.0395 -2.58018 GPRESSURE: 715000 -49.9437 -120.92 65.4492 -129.961 -90.0601 74.7317 76.2941 21.3601 8.91327 PRESSAVG: 715000 -9.26857 -49.518 31.6772 -49.518 22.6485 -17.6336 31.6772 -17.6336 11.4087 GPRESSAVG: 715000 -9.73464 -49.4336 32.0927 -48.7979 22.4894 -17.4676 31.8228 -16.4618 12.4717 TIMING: 715000 CPU: 2254.45, 0.00316441/step Wall: 2254.45, 0.00316441/step, 3.76652 hours remaining, 237.312500 MB of memory in use. ENERGY: 715000 3885.7761 20590.7356 14500.6527 239.6369 -203297.2525 2405.0950 0.0000 0.0000 51726.1325 -109949.2237 297.2708 -161675.3562 -109580.0385 297.9503 -72.2039 -43.6968 761103.6488 8.2629 8.4088 PRESSURE: 715200 -335.891 -206.568 132.715 -206.567 28.7931 45.2117 132.715 45.2123 34.0787 GPRESSURE: 715200 -215.963 -191.148 163.371 -229.722 39.204 34.4482 183.365 47.9607 8.09577 PRESSAVG: 715200 0.669947 -6.05004 33.173 -6.04997 -30.2558 -6.91534 33.173 -6.91538 0.503844 GPRESSAVG: 715200 2.365 -4.29339 34.4484 -6.0023 -32.2122 -6.81059 31.3058 -8.14048 0.655242 TIMING: 715200 CPU: 2255.09, 0.00318568/step Wall: 2255.09, 0.00318568/step, 3.79166 hours remaining, 237.312500 MB of memory in use. ENERGY: 715200 3962.1633 20375.3496 14552.3022 246.4077 -203337.1972 2517.3146 0.0000 0.0000 51780.0340 -109903.6259 297.5806 -161683.6599 -109545.1621 298.4050 -91.0064 -56.2209 762790.2352 -9.6940 -9.7306 PRESSURE: 715400 66.0395 49.5291 -2.10863 49.5286 134.574 -114.524 -2.10863 -114.524 116.022 GPRESSURE: 715400 74.317 -6.67186 -8.79168 -8.14585 204.937 -79.813 -23.6357 -146.089 120.33 PRESSAVG: 715400 9.44423 13.6596 -2.79376 13.6596 -20.2966 -1.02162 -2.79376 -1.02161 22.8547 GPRESSAVG: 715400 7.98094 12.544 -3.68603 13.1756 -19.0111 -0.763803 -2.95198 -0.189304 23.8075 TIMING: 715400 CPU: 2255.72, 0.00316254/step Wall: 2255.72, 0.00316254/step, 3.76395 hours remaining, 237.312500 MB of memory in use. ENERGY: 715400 3958.4624 20285.7395 14562.9156 256.0639 -203306.0306 2509.6507 0.0000 0.0000 51911.8944 -109821.3040 298.3384 -161733.1984 -109459.2769 298.0776 105.5450 133.1944 760045.7465 4.0008 4.2591 PRESSURE: 715600 406.305 -108.971 110.764 -108.971 -390.215 87.8597 110.764 87.8607 -242.817 GPRESSURE: 715600 422.523 31.1961 75.0919 -38.6758 -368.99 71.0986 33.2737 120.14 -201.293 PRESSAVG: 715600 50.6254 22.264 55.3704 22.2639 -53.3238 24.527 55.3703 24.527 2.56832 GPRESSAVG: 715600 51.7339 22.7308 54.9523 21.6614 -53.6415 23.8704 56.6464 25.9691 1.52144 TIMING: 715600 CPU: 2256.35, 0.00315648/step Wall: 2256.35, 0.00315648/step, 3.75656 hours remaining, 237.312500 MB of memory in use. ENERGY: 715600 4005.8484 20447.0931 14453.2084 236.9626 -203121.1532 2286.8483 0.0000 0.0000 51984.7062 -109706.4863 298.7568 -161691.1925 -109342.3985 299.0211 -75.5759 -49.2531 760483.1378 -0.0434 -0.1287 PRESSURE: 715800 -32.8794 -65.5333 79.7454 -65.5332 -78.582 -128.575 79.7451 -128.574 145.291 GPRESSURE: 715800 -68.7006 -64.6756 35.919 -44.7029 -23.5007 -188.501 87.6291 -1.8425 174.133 PRESSAVG: 715800 38.5694 -30.5859 26.9944 -30.5859 -59.2473 1.91414 26.9944 1.91405 0.733834 GPRESSAVG: 715800 37.811 -31.4994 27.3701 -28.9619 -58.8065 3.87401 27.2995 0.344576 1.29896 TIMING: 715800 CPU: 2256.99, 0.00315817/step Wall: 2256.99, 0.00315817/step, 3.7584 hours remaining, 237.312500 MB of memory in use. ENERGY: 715800 3960.6210 20492.2528 14457.5904 238.9780 -203500.7792 2562.9929 0.0000 0.0000 51990.1780 -109798.1662 298.7883 -161788.3442 -109444.6659 298.2930 11.2765 27.3106 759770.7217 -6.6480 -6.5655 PRESSURE: 716000 479.044 38.9792 26.7645 38.98 -267.102 -55.6956 26.765 -55.6957 213.15 GPRESSURE: 716000 459.233 -51.9405 -166.282 -9.76813 -194.778 -79.0296 12.3176 -133.342 220.879 PRESSAVG: 716000 26.4499 -16.1251 22.1566 -16.1251 -98.386 26.1247 22.1567 26.1247 27.9377 GPRESSAVG: 716000 27.6181 -15.9766 21.4881 -17.4945 -97.772 24 23.3985 27.4228 27.1426 TIMING: 716000 CPU: 2257.62, 0.00318709/step Wall: 2257.62, 0.00318709/step, 3.79264 hours remaining, 237.312500 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: 716000 3942.8495 20505.0047 14455.3182 269.4792 -202941.3165 2338.0381 0.0000 0.0000 51754.1513 -109676.4755 297.4318 -161430.6268 -109318.4146 298.1915 141.6973 161.7781 759401.7683 -14.6661 -14.3371 PRESSURE: 716200 95.1118 -84.852 -69.346 -84.8525 395.708 88.5159 -69.3457 88.5162 237.528 GPRESSURE: 716200 99.8292 -41.372 -126.654 -86.4174 381.001 21.8382 42.1314 119.582 332.972 PRESSAVG: 716200 81.5989 -33.3108 53.1739 -33.3108 -103.823 -40.2453 53.1739 -40.2453 -21.1933 GPRESSAVG: 716200 80.6291 -35.5964 53.1413 -29.6156 -102.759 -40.5844 51.9424 -41.6886 -21.1207 TIMING: 716200 CPU: 2258.26, 0.00317579/step Wall: 2258.26, 0.0031758/step, 3.77902 hours remaining, 237.312500 MB of memory in use. ENERGY: 716200 3939.4466 20567.2522 14466.8731 235.7346 -203339.5758 2570.7006 0.0000 0.0000 52046.8890 -109512.6796 299.1142 -161559.5687 -109137.6457 298.5247 242.7826 271.2673 760055.8955 -14.4724 -14.4169 LDB: ============= START OF LOAD BALANCING ============== 2270.71 LDB: ============== END OF LOAD BALANCING =============== 2270.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2270.71 LDB: ============= START OF LOAD BALANCING ============== 2271.03 LDB: Largest compute 7073 load 0.036807 is 18.9% of average load 0.194950 LDB: Average compute 0.004403 is 2.3% of average load 0.194950 LDB: TIME 2271.03 LOAD: AVG 0.19495 MAX 0.212204 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 2271.03 LOAD: AVG 0.19495 MAX 0.212204 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: TIME 2271.03 LOAD: AVG 0.19495 MAX 0.212204 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: ============== END OF LOAD BALANCING =============== 2271.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2271.04 PRESSURE: 716400 517.243 174.848 78.9644 174.849 -154.142 -107.597 78.9646 -107.595 60.7622 GPRESSURE: 716400 517.204 69.6904 5.3744 235.446 -140.5 -108.399 132.677 -50.6316 116.144 PRESSAVG: 716400 90.9742 23.8389 28.6831 23.8389 -82.4515 -16.4966 28.683 -16.4965 5.63537 GPRESSAVG: 716400 91.5484 25.7696 30.5662 20.8503 -84.3362 -15.8147 28.7529 -16.4166 6.6658 TIMING: 716400 CPU: 2258.91, 0.0032347/step Wall: 2258.91, 0.0032347/step, 3.84893 hours remaining, 237.097656 MB of memory in use. ENERGY: 716400 3948.0317 20546.6153 14525.4798 252.2990 -203412.3898 2798.9719 0.0000 0.0000 51816.5619 -109524.4302 297.7905 -161340.9921 -109167.2535 299.2563 141.2877 164.2829 759874.5149 4.7194 4.6260 PRESSURE: 716600 -149.234 43.8241 38.0825 43.8241 15.0149 -146.573 38.0811 -146.571 -317.882 GPRESSURE: 716600 -20.5016 52.524 40.5189 30.9878 -6.77476 -198.548 -10.6708 -158.205 -333.552 PRESSAVG: 716600 11.6292 16.3481 26.3469 16.3481 -50.2614 13.0381 26.3469 13.0381 -8.36403 GPRESSAVG: 716600 11.1111 17.7765 25.8981 15.5822 -49.7312 15.324 25.6356 13.6039 -8.39213 TIMING: 716600 CPU: 2259.53, 0.00312939/step Wall: 2259.53, 0.00312939/step, 3.72345 hours remaining, 237.097656 MB of memory in use. ENERGY: 716600 3926.7365 20376.5843 14520.9185 250.7437 -203117.0048 2310.7493 0.0000 0.0000 52225.2473 -109506.0252 300.1392 -161731.2725 -109133.2602 298.9662 -150.7005 -120.2763 761925.1843 -15.6654 -15.6708 PRESSURE: 716800 36.1851 118.388 47.1654 118.387 -3.68911 100.609 47.1644 100.61 356.93 GPRESSURE: 716800 66.7944 130.265 50.2633 33.8249 96.0996 81.086 101.833 -7.34953 307.158 PRESSAVG: 716800 50.7875 -27.7228 -48.772 -27.7227 -13.1766 7.71174 -48.772 7.71161 20.0077 GPRESSAVG: 716800 51.5077 -28.2172 -48.9384 -27.5572 -13.3994 6.9097 -48.7094 6.67756 19.8275 TIMING: 716800 CPU: 2260.16, 0.00316079/step Wall: 2260.16, 0.00316079/step, 3.76064 hours remaining, 237.097656 MB of memory in use. ENERGY: 716800 4025.5482 20436.6976 14573.3638 234.5505 -203754.9657 2870.4220 0.0000 0.0000 51949.1037 -109665.2799 298.5522 -161614.3836 -109307.4000 298.6004 129.8086 156.6840 759828.2128 19.2062 19.3120 PRESSURE: 717000 -23.2108 -224.268 89.6589 -224.268 -39.8707 -82.0109 89.6588 -82.0112 57.6503 GPRESSURE: 717000 74.3982 -226.664 186.773 -151.123 -52.6476 -19.0513 -17.8243 38.6175 82.3751 PRESSAVG: 717000 27.4489 21.3553 -35.9753 21.3553 -68.6267 25.426 -35.9753 25.426 -10.6706 GPRESSAVG: 717000 27.8029 20.2047 -35.6401 21.4904 -69.947 23.4637 -36.7632 26.3472 -10.3045 TIMING: 717000 CPU: 2260.79, 0.00314886/step Wall: 2260.79, 0.00314886/step, 3.74627 hours remaining, 237.097656 MB of memory in use. ENERGY: 717000 3940.9805 20459.5027 14470.7357 268.5063 -203277.9133 2578.0557 0.0000 0.0000 51900.1084 -109660.0241 298.2706 -161560.1325 -109287.1313 298.1038 -1.8104 34.7086 759884.3693 -17.2828 -17.4829 PRESSURE: 717200 413.432 106.949 69.751 106.948 454.931 132.454 69.7521 132.454 551.026 GPRESSURE: 717200 464.225 88.8607 98.7306 66.3535 406.612 175.581 100.937 184.937 629.827 PRESSAVG: 717200 64.6474 -23.8187 2.22882 -23.8188 -13.5357 43.6538 2.22885 43.6538 9.9387 GPRESSAVG: 717200 64.4165 -23.0046 -0.603244 -23.4387 -12.8933 45.9013 3.34288 42.44 9.38398 TIMING: 717200 CPU: 2261.43, 0.00316721/step Wall: 2261.43, 0.00316721/step, 3.76793 hours remaining, 237.097656 MB of memory in use. ENERGY: 717200 3922.7807 20486.9317 14504.4622 259.8063 -203344.7278 2563.8678 0.0000 0.0000 52105.1013 -109501.7778 299.4487 -161606.8791 -109138.3182 299.2407 473.1295 500.2215 759459.6713 20.3501 20.3024 PRESSURE: 717400 136.793 114.55 -183.756 114.55 179.444 39.1028 -183.756 39.1021 -30.0365 GPRESSURE: 717400 155.414 1.36293 -196.116 41.2245 172.753 45.6877 -125.293 80.3445 35.9353 PRESSAVG: 717400 -19.9694 -43.8645 -5.23885 -43.8646 53.981 27.2085 -5.23884 27.2083 -11.0585 GPRESSAVG: 717400 -20.1625 -43.3627 -4.08364 -43.7321 53.8331 25.3654 -5.38875 29.5871 -10.164 TIMING: 717400 CPU: 2262.06, 0.00318636/step Wall: 2262.06, 0.00318636/step, 3.79053 hours remaining, 237.097656 MB of memory in use. ENERGY: 717400 3973.2317 20423.3152 14513.3944 243.9151 -203530.9534 2772.4445 0.0000 0.0000 52120.2999 -109484.3526 299.5361 -161604.6526 -109121.2169 299.3497 95.4000 121.3673 760981.2008 7.6511 7.8355 PRESSURE: 717600 -57.333 27.6584 -78.2657 27.6584 -323.948 41.063 -78.2657 41.063 -271.41 GPRESSURE: 717600 -20.8023 12.539 77.1899 49.5576 -328.199 148.095 -113.34 -84.7513 -236.872 PRESSAVG: 717600 15.1551 8.32656 23.8526 8.32657 -42.9309 47.655 23.8526 47.655 -9.4729 GPRESSAVG: 717600 16.1827 8.38148 23.6057 9.09317 -44.0387 48.5418 22.5225 46.5245 -9.38738 TIMING: 717600 CPU: 2262.7, 0.00315918/step Wall: 2262.7, 0.00315918/step, 3.75802 hours remaining, 237.097656 MB of memory in use. ENERGY: 717600 4072.5553 20327.0213 14530.4891 253.9238 -202802.0521 2329.3239 0.0000 0.0000 52049.2591 -109239.4797 299.1278 -161288.7388 -108883.5946 299.6075 -217.5637 -195.2914 762889.6238 -12.4162 -12.4145 PRESSURE: 717800 69.987 -113.384 -203.464 -113.384 159.124 -115.382 -203.463 -115.383 407.006 GPRESSURE: 717800 196.581 -103.145 -160.477 25.6874 193.872 -110.523 -271.874 -72.7119 344.315 PRESSAVG: 717800 49.8452 -54.62 -26.9193 -54.62 -84.9958 64.0234 -26.9192 64.0233 1.92464 GPRESSAVG: 717800 50.004 -55.4375 -24.9396 -53.5028 -83.6223 63.2426 -26.0736 65.4398 0.830504 TIMING: 717800 CPU: 2263.33, 0.00317443/step Wall: 2263.33, 0.00317443/step, 3.77598 hours remaining, 237.097656 MB of memory in use. ENERGY: 717800 4049.6902 20403.1325 14629.2791 224.4778 -203067.3539 2544.9208 0.0000 0.0000 52270.2817 -108945.5719 300.3980 -161215.8537 -108584.7551 299.8335 212.0391 244.9225 759304.9768 -11.0753 -10.9293 PRESSURE: 718000 60.4773 -30.4333 -91.7412 -30.4334 -303.101 76.0748 -91.7403 76.0759 -37.5588 GPRESSURE: 718000 122.074 35.6327 -44.796 -39.6084 -283.123 94.6486 -110.725 -17.4565 -41.3884 PRESSAVG: 718000 10.1114 -27.5704 -28.4893 -27.5704 -50.2631 53.579 -28.4893 53.5791 -3.16897 GPRESSAVG: 718000 10.1233 -26.1947 -28.7883 -29.0205 -49.9509 51.0064 -29.5069 52.4022 -3.51137 TIMING: 718000 CPU: 2263.96, 0.00315209/step Wall: 2263.96, 0.00315209/step, 3.74923 hours remaining, 237.097656 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: 718000 3953.6145 20790.4081 14555.3082 230.8181 -202982.8972 2386.3088 0.0000 0.0000 52179.0759 -108887.3636 299.8739 -161066.4396 -108534.3889 300.7352 -93.3941 -67.4794 760920.0345 -14.4402 -14.4463 PRESSURE: 718200 355.689 10.7788 -106.435 10.7791 255.456 -100.877 -106.435 -100.877 112.56 GPRESSURE: 718200 333.68 -105.291 -93.641 89.4739 293.275 9.90867 -35.4044 -80.3035 190.643 PRESSAVG: 718200 76.9021 1.70793 7.93369 1.70795 -63.0025 0.263628 7.93367 0.263665 -6.97378 GPRESSAVG: 718200 75.2565 1.28158 7.51085 -0.275779 -62.4269 1.96238 8.12233 1.42886 -6.15286 TIMING: 718200 CPU: 2264.59, 0.00316106/step Wall: 2264.59, 0.00316106/step, 3.75973 hours remaining, 237.097656 MB of memory in use. ENERGY: 718200 4037.1714 20681.5366 14537.8552 258.8187 -203056.7096 2533.4684 0.0000 0.0000 52112.7875 -108895.0717 299.4929 -161007.8592 -108539.5362 300.5052 241.2350 272.5325 758792.5351 2.3086 2.2256 PRESSURE: 718400 238.358 71.284 145.207 71.2846 151.445 83.6903 145.206 83.6913 129.226 GPRESSURE: 718400 308.844 157.691 104.039 -41.7385 154.446 55.1947 67.3139 80.327 147.082 PRESSAVG: 718400 73.9349 8.61598 -28.1109 8.61606 -35.0055 26.1567 -28.1109 26.1566 -8.62102 GPRESSAVG: 718400 74.624 7.76355 -27.6801 9.42168 -35.3079 27.1148 -26.5459 26.5671 -8.80906 TIMING: 718400 CPU: 2265.23, 0.00317283/step Wall: 2265.23, 0.00317283/step, 3.77355 hours remaining, 237.097656 MB of memory in use. ENERGY: 718400 3961.2773 20574.4959 14530.6872 238.7952 -203189.4865 2561.3348 0.0000 0.0000 52351.8324 -108971.0638 300.8667 -161322.8962 -108607.5873 300.5591 173.0097 203.4573 761030.4981 10.1028 10.1690 PRESSURE: 718600 -110.031 83.4891 -186.492 83.4894 -392.212 -107.022 -186.492 -107.022 -381.479 GPRESSURE: 718600 58.8713 101.374 -186.855 145.087 -455.837 -159.817 -97.4703 -77.0705 -413.065 PRESSAVG: 718600 51.0125 7.52707 24.7524 7.52704 -62.2074 21.3217 24.7524 21.3217 5.52443 GPRESSAVG: 718600 51.2346 9.81901 24.9308 7.57038 -62.5603 22.0726 22.2115 20.3845 5.3562 TIMING: 718600 CPU: 2265.86, 0.0031642/step Wall: 2265.86, 0.0031642/step, 3.76311 hours remaining, 237.097656 MB of memory in use. ENERGY: 718600 4038.5960 20359.9714 14612.8082 266.6856 -202796.2864 2187.1064 0.0000 0.0000 52433.0328 -108898.0861 301.3334 -161331.1189 -108532.2385 300.6278 -294.5739 -270.0102 762186.4396 -1.8901 -1.9898 PRESSURE: 718800 222.799 -35.1678 20.6756 -35.1671 156.985 61.0944 20.6755 61.0944 156.423 GPRESSURE: 718800 258.619 100.02 33.2045 -54.0603 160.282 94.3483 -58.2697 -42.7973 189.407 PRESSAVG: 718800 -10.2955 -16.2227 64.503 -16.2227 -43.2041 -11.251 64.503 -11.2511 5.8284 GPRESSAVG: 718800 -10.3238 -16.6642 65.1262 -15.8179 -43.7277 -12.417 65.1157 -15.1481 6.44668 TIMING: 718800 CPU: 2266.49, 0.00316021/step Wall: 2266.49, 0.00316021/step, 3.7582 hours remaining, 237.097656 MB of memory in use. ENERGY: 718800 3998.6176 20687.5907 14574.9862 261.7402 -203061.1058 2440.8583 0.0000 0.0000 52117.9263 -108979.3864 299.5224 -161097.3127 -108625.2997 300.1713 178.7358 202.7695 761470.6602 -15.8904 -15.8683 PRESSURE: 719000 -247.938 239.622 166.976 239.622 -368.43 -56.1615 166.974 -56.1622 180.687 GPRESSURE: 719000 -171.487 200.645 186.9 229.005 -386.592 -20.298 268.029 -176.13 210.925 PRESSAVG: 719000 1.9685 -55.0634 -4.48381 -55.0634 -39.8579 -13.7719 -4.48377 -13.7721 1.62038 GPRESSAVG: 719000 1.81814 -56.944 -4.87678 -55.7744 -40.0974 -10.742 -3.89106 -11.8206 1.31738 TIMING: 719000 CPU: 2267.12, 0.00315166/step Wall: 2267.12, 0.00315166/step, 3.74785 hours remaining, 237.097656 MB of memory in use. ENERGY: 719000 3940.7956 20528.5091 14564.4617 230.3358 -203471.5323 2661.2247 0.0000 0.0000 52414.7125 -109131.4929 301.2281 -161546.2054 -108760.9793 299.9690 -145.2269 -115.7180 759863.6462 -12.0897 -12.3206 PRESSURE: 719200 -42.7282 20.745 30.473 20.7453 261.791 49.0951 30.4727 49.0948 -99.4285 GPRESSURE: 719200 -21.6807 28.339 7.74657 -148.347 302.869 33.9145 -49.6085 46.4072 -89.5218 PRESSAVG: 719200 -2.6028 -67.1053 -22.3279 -67.1053 -3.84239 29.1782 -22.3279 29.1782 9.34341 GPRESSAVG: 719200 -2.65392 -64.4491 -21.9738 -70.1014 -4.69278 25.5242 -22.5133 30.7899 9.90512 TIMING: 719200 CPU: 2267.76, 0.00318652/step Wall: 2267.76, 0.00318653/step, 3.78913 hours remaining, 237.097656 MB of memory in use. ENERGY: 719200 3969.5765 20609.3921 14546.3431 255.5381 -203133.6250 2555.8096 0.0000 0.0000 52120.4598 -109076.5059 299.5370 -161196.9656 -108720.5831 300.6764 39.8780 63.8888 759788.5657 0.9661 0.8528 PRESSURE: 719400 249.99 -115.966 85.3255 -115.966 135.776 88.6205 85.3252 88.6205 219.691 GPRESSURE: 719400 179.64 -237.667 80.131 -45.6809 260.69 45.3172 32.3839 153.592 261.415 PRESSAVG: 719400 42.5457 -94.885 -15.9212 -94.8851 3.59289 -64.5846 -15.9212 -64.5846 -8.69758 GPRESSAVG: 719400 42.0696 -94.4859 -16.4393 -93.3631 4.77843 -64.6641 -16.5118 -64.2072 -8.91637 TIMING: 719400 CPU: 2268.39, 0.00316645/step Wall: 2268.39, 0.00316645/step, 3.76508 hours remaining, 237.097656 MB of memory in use. ENERGY: 719400 3900.0088 20721.3044 14514.8237 241.5095 -203317.9953 2652.2487 0.0000 0.0000 52120.8253 -109167.2748 299.5391 -161288.1001 -108807.7046 299.7826 201.8188 233.9151 761021.1313 12.4803 12.6439 PRESSURE: 719600 103.513 -169.381 -113.066 -169.381 -110.426 -31.7778 -113.067 -31.7777 -121.343 GPRESSURE: 719600 153.033 -129.281 -97.2584 -148.221 -97.0599 54.4829 -42.9085 84.4843 -94.5937 PRESSAVG: 719600 29.4414 -13.6649 3.79949 -13.6649 -23.2972 -57.7855 3.79946 -57.7854 10.8164 GPRESSAVG: 719600 29.6089 -14.4003 5.11487 -10.3173 -23.1488 -54.7658 3.08913 -59.0692 10.5004 TIMING: 719600 CPU: 2269.03, 0.00318332/step Wall: 2269.03, 0.00318332/step, 3.78497 hours remaining, 237.097656 MB of memory in use. ENERGY: 719600 3984.3204 20414.4421 14575.1865 233.0526 -203299.8150 2631.8826 0.0000 0.0000 52300.6546 -109160.2761 300.5726 -161460.9307 -108793.8439 299.9418 -42.7518 -12.8736 761196.0430 5.6535 5.6535 PRESSURE: 719800 -208.782 81.1311 -156.33 81.1309 -33.4851 76.3273 -156.33 76.3263 184.051 GPRESSURE: 719800 -155.15 177.816 -182.808 79.3852 -46.2289 -28.0959 -10.783 103.16 217.635 PRESSAVG: 719800 -44.7992 -2.31574 -57.2138 -2.31564 22.1194 -14.2773 -57.2138 -14.2773 -12.5548 GPRESSAVG: 719800 -43.9029 -1.89147 -58.1336 -4.89907 21.7162 -15.2132 -56.1084 -15.2445 -12.6952 TIMING: 719800 CPU: 2269.66, 0.00316232/step Wall: 2269.66, 0.00316232/step, 3.75982 hours remaining, 237.097656 MB of memory in use. ENERGY: 719800 3940.2386 20673.0984 14517.5787 243.7253 -203002.8486 2442.9965 0.0000 0.0000 52000.5688 -109184.6422 298.8480 -161185.2110 -108828.8520 299.9461 -19.4052 5.4187 760848.6695 -11.7449 -11.6273 PRESSURE: 720000 -6.30813 145.311 -54.4733 145.311 -208.947 -14.7225 -54.4725 -14.7223 -141.761 GPRESSURE: 720000 -26.5307 159.551 -25.3906 89.0965 -66.498 -2.9164 35.2454 64.3546 -183.809 PRESSAVG: 720000 -35.135 9.60196 -17.941 9.60197 4.78291 -51.5267 -17.941 -51.5268 -0.884003 GPRESSAVG: 720000 -35.1617 9.30479 -17.9078 9.69021 5.05257 -52.3435 -15.996 -50.4644 -1.49243 TIMING: 720000 CPU: 2270.3, 0.00316382/step Wall: 2270.3, 0.00316382/step, 3.76143 hours remaining, 237.097656 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: 720000 3920.5421 20526.5805 14552.8800 251.0922 -203508.1246 2732.7287 0.0000 0.0000 52023.4087 -109500.8924 298.9792 -161524.3011 -109130.3776 299.4337 -119.0055 -92.2791 760415.9094 -10.4120 -10.5339 PRESSURE: 720200 136.533 -57.8031 -82.3581 -57.8038 163.585 401.841 -82.3587 401.841 29.612 GPRESSURE: 720200 35.2899 -75.9459 -98.495 -132.356 264.099 325.661 -100.968 476.021 103.082 PRESSAVG: 720200 15.4961 -48.728 -11.9194 -48.728 36.0917 15.4596 -11.9194 15.4596 6.47321 GPRESSAVG: 720200 15.6807 -50.4911 -11.8715 -48.6702 36.7451 14.762 -13.8568 17.0066 5.97981 TIMING: 720200 CPU: 2270.93, 0.00316458/step Wall: 2270.93, 0.00316458/step, 3.76216 hours remaining, 237.097656 MB of memory in use. ENERGY: 720200 4002.8787 20405.9760 14594.4008 247.8057 -203375.1797 2601.0121 0.0000 0.0000 52019.4752 -109503.6311 298.9566 -161523.1063 -109141.6865 298.9240 109.9101 134.1569 760551.3617 19.3537 19.4685 LDB: ============= START OF LOAD BALANCING ============== 2283.38 LDB: ============== END OF LOAD BALANCING =============== 2283.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2283.38 LDB: ============= START OF LOAD BALANCING ============== 2283.7 LDB: Largest compute 7076 load 0.036657 is 18.8% of average load 0.194984 LDB: Average compute 0.004405 is 2.3% of average load 0.194984 LDB: TIME 2283.7 LOAD: AVG 0.194984 MAX 0.212272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.383 MB LDB: TIME 2283.7 LOAD: AVG 0.194984 MAX 0.212272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.387 MB LDB: TIME 2283.7 LOAD: AVG 0.194984 MAX 0.212272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.387 MB LDB: ============== END OF LOAD BALANCING =============== 2283.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2283.71 PRESSURE: 720400 115.554 -140.932 -5.75667 -140.931 22.3828 -9.48065 -5.75746 -9.48085 -145.659 GPRESSURE: 720400 94.6952 -242.377 96.7331 -165.979 44.3547 51.6816 -48.8628 -37.5352 -75.5177 PRESSAVG: 720400 -31.0115 -81.2086 -0.247579 -81.2086 42.6808 -17.8089 -0.247588 -17.8089 5.78845 GPRESSAVG: 720400 -30.5702 -79.8735 1.22997 -80.5551 42.0158 -15.8712 -0.447079 -20.9432 6.39021 TIMING: 720400 CPU: 2271.57, 0.00323169/step Wall: 2271.57, 0.00323169/step, 3.84176 hours remaining, 236.019531 MB of memory in use. ENERGY: 720400 3927.3677 20742.1412 14489.7795 242.6876 -203321.5600 2604.0506 0.0000 0.0000 51944.6931 -109370.8402 298.5269 -161315.5334 -109015.9480 299.2268 -2.5742 21.1774 761331.3957 5.8193 5.9453 PRESSURE: 720600 -279.395 -46.4466 3.16773 -46.4462 -245.064 47.7819 3.16659 47.7811 -169.919 GPRESSURE: 720600 -223.153 -21.6 16.6002 -35.1879 -170.44 38.5797 -16.4307 -24.945 -215.7 PRESSAVG: 720600 -18.6354 4.83497 12.9174 4.83497 -14.7396 -3.17336 12.9174 -3.17336 -1.49551 GPRESSAVG: 720600 -19.4931 8.15625 12.4123 3.0973 -13.5711 -4.11317 11.4901 -2.52515 -1.55787 TIMING: 720600 CPU: 2272.21, 0.00315807/step Wall: 2272.21, 0.00315807/step, 3.75406 hours remaining, 236.019531 MB of memory in use. ENERGY: 720600 4062.6043 20585.9886 14525.1870 260.3788 -203117.5380 2254.4003 0.0000 0.0000 52146.5169 -109282.4620 299.6867 -161428.9789 -108918.0313 299.2774 -231.4593 -203.0975 760349.2441 -11.6235 -11.5407 PRESSURE: 720800 42.8248 23.2605 -268.548 23.2608 -127.493 154.313 -268.549 154.313 62.686 GPRESSURE: 720800 77.6791 -104.045 -237.046 -20.6909 -92.3067 74.6258 -231.655 113.711 100.775 PRESSAVG: 720800 -11.5831 -89.1899 -25.0079 -89.1899 21.4082 74.9273 -25.0079 74.9272 22.6631 GPRESSAVG: 720800 -10.9789 -92.5304 -25.4912 -87.694 20.89 74.4712 -21.1722 74.7649 22.3629 TIMING: 720800 CPU: 2272.84, 0.00316992/step Wall: 2272.84, 0.00316992/step, 3.76798 hours remaining, 236.019531 MB of memory in use. ENERGY: 720800 3973.8477 20607.8169 14490.5691 224.7499 -203170.9287 2494.0839 0.0000 0.0000 52077.7775 -109302.0836 299.2917 -161379.8611 -108933.8282 299.6094 -7.3273 28.7159 759664.1362 10.8294 10.7580 PRESSURE: 721000 259.675 30.3554 -189.03 30.3562 415.009 -85.9723 -189.03 -85.9723 121.108 GPRESSURE: 721000 306.685 -95.834 -99.1033 59.7104 460.153 -50.7562 -14.7892 -112.234 108.64 PRESSAVG: 721000 -23.7948 13.81 20.1003 13.8101 14.432 -8.06681 20.1003 -8.06679 -31.3661 GPRESSAVG: 721000 -23.6009 13.4652 19.8198 14.9772 12.5572 -9.7989 18.8662 -7.10849 -30.0256 TIMING: 721000 CPU: 2273.47, 0.0031695/step Wall: 2273.47, 0.0031695/step, 3.7673 hours remaining, 236.019531 MB of memory in use. ENERGY: 721000 3953.8570 20459.4673 14517.9408 263.2586 -203889.6385 3044.7787 0.0000 0.0000 52277.3763 -109372.9598 300.4388 -161650.3361 -109006.0782 299.4451 265.2644 291.8257 760781.0047 -13.5763 -13.6898 PRESSURE: 721200 -127.415 51.1862 115.647 51.1862 1.52736 -13.9797 115.647 -13.9805 53.492 GPRESSURE: 721200 -178.567 162.57 178.096 80.9271 61.6171 -43.464 6.38826 -39.9186 120.166 PRESSAVG: 721200 -17.3927 -10.7374 -14.8684 -10.7373 9.74917 -2.94174 -14.8684 -2.94184 -30.482 GPRESSAVG: 721200 -17.7768 -8.43928 -14.3169 -12.703 11.857 -1.9397 -14.4782 -3.86509 -31.7883 TIMING: 721200 CPU: 2274.11, 0.0032041/step Wall: 2274.11, 0.0032041/step, 3.80825 hours remaining, 236.019531 MB of memory in use. ENERGY: 721200 4015.3670 20480.2612 14485.2571 267.5283 -203078.6413 2354.2264 0.0000 0.0000 52003.3662 -109472.6351 298.8641 -161476.0013 -109095.9148 299.1907 -24.1318 1.0722 762658.7442 -12.7085 -12.5694 PRESSURE: 721400 119.373 78.1233 253.565 78.1232 150.475 -174.107 253.564 -174.107 792.665 GPRESSURE: 721400 192.952 99.1935 129.168 45.7975 208.022 -225.804 167.449 -18.5694 748.089 PRESSAVG: 721400 -30.8356 -0.57176 33.0632 -0.57168 28.9737 15.9646 33.0633 15.9646 2.61352 GPRESSAVG: 721400 -30.2084 -3.19108 32.2632 -0.131241 27.213 17.4374 31.0636 16.5195 3.93845 TIMING: 721400 CPU: 2274.75, 0.0031685/step Wall: 2274.75, 0.00316849/step, 3.76576 hours remaining, 236.019531 MB of memory in use. ENERGY: 721400 3962.8117 20449.3914 14541.7448 237.5069 -203536.0303 2926.5733 0.0000 0.0000 52028.2861 -109389.7161 299.0073 -161418.0022 -109038.7767 299.2590 354.1709 383.0209 760631.2219 0.2505 0.3143 PRESSURE: 721600 103.321 164.475 321.393 164.474 496.874 -248.869 321.393 -248.869 92.5595 GPRESSURE: 721600 138.254 85.2406 233.87 166.206 571.518 -185.602 268.248 -308.722 70.2533 PRESSAVG: 721600 -27.1932 45.3678 21.1511 45.3678 13.1616 11.5059 21.1511 11.5058 -2.76478 GPRESSAVG: 721600 -27.5495 46.1966 19.8565 46.6272 15.0218 10.9084 21.4364 11.897 -4.59713 TIMING: 721600 CPU: 2275.38, 0.00314718/step Wall: 2275.38, 0.00314718/step, 3.74025 hours remaining, 236.019531 MB of memory in use. ENERGY: 721600 3975.5285 20510.9429 14536.3740 248.0976 -203489.4154 2743.0191 0.0000 0.0000 51974.6327 -109500.8206 298.6989 -161475.4533 -109128.8419 299.7431 230.9182 260.0086 759795.4345 -5.5988 -5.7083 PRESSURE: 721800 57.7377 -233.225 -9.88639 -233.224 108.031 -168.223 -9.88668 -168.224 -104.47 GPRESSURE: 721800 85.2679 -143.132 -11.2079 -200.263 159.204 -146.554 35.7718 -57.5384 -80.1203 PRESSAVG: 721800 -4.47398 -16.2374 10.2352 -16.2374 6.20034 12.8369 10.2352 12.837 -26.726 GPRESSAVG: 721800 -3.88693 -16.1072 11.6544 -15.7911 4.96703 14.0556 10.9891 12.8496 -25.7059 TIMING: 721800 CPU: 2276.01, 0.00315671/step Wall: 2276.01, 0.0031567/step, 3.75139 hours remaining, 236.019531 MB of memory in use. ENERGY: 721800 3954.4912 20407.7305 14561.1230 243.8615 -203224.3065 2470.4414 0.0000 0.0000 52037.8517 -109548.8073 299.0622 -161586.6590 -109191.9762 298.9098 20.4329 54.7839 760553.0099 -8.3332 -8.2086 PRESSURE: 722000 19.5145 57.3485 257.365 57.3482 246.019 -16.8233 257.365 -16.8232 -102.742 GPRESSURE: 722000 46.5725 141.046 197.92 96.4986 232.971 59.576 248.018 -72.8435 -45.8648 PRESSAVG: 722000 8.87989 17.7322 29.573 17.7323 -12.8397 18.4118 29.573 18.4118 27.8027 GPRESSAVG: 722000 7.91664 16.8077 28.3238 17.4248 -11.8924 18.6011 30.3181 16.5863 28.0779 TIMING: 722000 CPU: 2276.64, 0.00315286/step Wall: 2276.64, 0.00315286/step, 3.74665 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: 722000 4012.8035 20390.0520 14518.2575 234.9304 -203427.4996 2705.4869 0.0000 0.0000 51979.0915 -109586.8779 298.7246 -161565.9694 -109216.9124 298.7960 54.2641 77.8928 760634.6583 7.9476 8.0341 PRESSURE: 722200 -302.86 23.493 156.053 23.4931 -465.035 25.2973 156.053 25.298 123.191 GPRESSURE: 722200 -282.62 -31.0116 231.496 67.3506 -408.461 116.314 179.196 -52.159 142.56 PRESSAVG: 722200 2.21283 14.0249 14.8045 14.0249 -21.5889 -6.84642 14.8046 -6.84644 -3.68503 GPRESSAVG: 722200 1.77195 15.2082 15.26 11.0661 -20.7302 -7.55349 14.5255 -5.97205 -4.05384 TIMING: 722200 CPU: 2277.27, 0.0031561/step Wall: 2277.27, 0.0031561/step, 3.75032 hours remaining, 236.019531 MB of memory in use. ENERGY: 722200 3995.9903 20496.6344 14440.8234 245.7122 -203190.2112 2411.5831 0.0000 0.0000 52018.7680 -109580.6997 298.9526 -161599.4677 -109213.7056 298.6231 -214.9010 -182.8404 763175.2538 -7.6870 -7.6707 PRESSURE: 722400 -168.662 -249.695 99.9236 -249.694 -476.296 -125.724 99.9231 -125.724 -206.174 GPRESSURE: 722400 -179.129 -275.66 74.5388 -237.469 -387.934 -76.6365 -87.0504 -34.4825 -185.519 PRESSAVG: 722400 63.9262 3.96371 44.9388 3.96373 -56.7551 -10.4424 44.9389 -10.4424 15.5221 GPRESSAVG: 722400 64.1286 3.79087 45.5006 5.04145 -57.4711 -9.91863 43.6885 -8.07863 15.9304 TIMING: 722400 CPU: 2277.9, 0.00316554/step Wall: 2277.9, 0.00316554/step, 3.76136 hours remaining, 236.019531 MB of memory in use. ENERGY: 722400 4015.8708 20576.5169 14475.2599 260.8126 -203300.0442 2440.9381 0.0000 0.0000 51626.3832 -109904.2627 296.6975 -161530.6459 -109547.2422 298.9002 -283.7103 -250.8607 762544.1326 7.5644 7.5293 PRESSURE: 722600 -172.413 -200.777 0.00376219 -200.776 234.555 93.6462 0.00372757 93.6467 92.266 GPRESSURE: 722600 -146.137 -205.463 20.6524 -213.874 229.753 66.2325 75.0858 109.705 153.494 PRESSAVG: 722600 14.0127 -11.7961 -13.0401 -11.7962 -19.1305 -5.95769 -13.0402 -5.9577 1.41499 GPRESSAVG: 722600 14.3491 -14.065 -12.7501 -8.31835 -19.2553 -7.67326 -12.1199 -6.42921 0.74097 TIMING: 722600 CPU: 2278.54, 0.00317618/step Wall: 2278.54, 0.00317618/step, 3.77383 hours remaining, 236.019531 MB of memory in use. ENERGY: 722600 3982.1385 20725.6504 14564.1699 241.0293 -204016.5528 2834.8426 0.0000 0.0000 51819.4082 -109849.3140 297.8069 -161668.7222 -109489.3250 297.7728 51.4694 79.0365 761831.8761 -1.2343 -1.3884 PRESSURE: 722800 265.089 -191.546 139.284 -191.546 36.3859 84.9426 139.285 84.9433 -371.734 GPRESSURE: 722800 246.613 -249.207 132.356 -289.484 101.291 71.3518 64.4627 144.187 -326.453 PRESSAVG: 722800 -41.2863 -7.12223 -30.019 -7.12218 67.7973 5.24444 -30.019 5.24448 25.1637 GPRESSAVG: 722800 -41.6925 -5.2926 -30.2779 -9.8107 67.7355 6.08229 -30.4816 4.96817 25.2527 TIMING: 722800 CPU: 2279.17, 0.00316014/step Wall: 2279.17, 0.00316014/step, 3.75459 hours remaining, 236.019531 MB of memory in use. ENERGY: 722800 3936.2739 20407.4002 14510.5652 253.4683 -203554.5041 2676.6803 0.0000 0.0000 51983.2970 -109786.8192 298.7487 -161770.1162 -109408.5215 297.9483 -23.4194 7.1506 760614.9762 17.2249 17.0986 PRESSURE: 723000 -154.59 -137.058 -45.0476 -137.058 51.4208 -73.3179 -45.0475 -73.3187 -56.6115 GPRESSURE: 723000 -36.6297 -93.0116 -106.172 -16.0894 -9.03449 -94.5471 -100.485 -173.235 -11.6579 PRESSAVG: 723000 -18.1924 -64.0394 -28.7106 -64.0395 19.2395 27.899 -28.7106 27.8989 -9.0302 GPRESSAVG: 723000 -18.4422 -62.7712 -29.9388 -65.8408 19.8186 28.6328 -27.9699 25.8984 -9.60683 TIMING: 723000 CPU: 2279.81, 0.00321519/step Wall: 2279.81, 0.00321519/step, 3.81983 hours remaining, 236.019531 MB of memory in use. ENERGY: 723000 3989.3068 20639.6319 14516.1327 251.2734 -203480.1174 2462.0180 0.0000 0.0000 52057.9543 -109563.8003 299.1778 -161621.7546 -109197.4151 298.3373 -53.2601 -19.1074 761156.0626 -2.6610 -2.7435 PRESSURE: 723200 -561.121 115.131 43.7984 115.132 10.3003 120.869 43.7976 120.869 132.016 GPRESSURE: 723200 -491.927 85.2102 117.715 106.499 -102.087 173.07 -39.4686 141.509 247.928 PRESSAVG: 723200 10.7171 17.5333 -4.2292 17.5334 -42.0658 75.2839 -4.22915 75.2839 22.803 GPRESSAVG: 723200 11.8228 16.1056 -3.85513 19.0396 -43.2545 74.5118 -4.35768 75.5104 22.7443 TIMING: 723200 CPU: 2280.45, 0.0031832/step Wall: 2280.45, 0.0031832/step, 3.78165 hours remaining, 236.019531 MB of memory in use. ENERGY: 723200 3974.4546 20604.7673 14562.0329 242.7748 -203585.8206 2650.0645 0.0000 0.0000 51923.8859 -109627.8406 298.4073 -161551.7265 -109266.6439 298.6168 -139.6014 -115.3618 761584.5689 -2.8486 -2.8958 PRESSURE: 723400 -248.248 -24.8563 209.092 -24.8553 -72.8948 -0.293842 209.092 -0.29242 117.055 GPRESSURE: 723400 -275.479 -128.141 184.131 77.8431 -0.711684 -88.7316 180.377 50.2748 145.132 PRESSAVG: 723400 59.538 -32.1069 -3.48749 -32.1069 -36.0975 18.095 -3.48749 18.0951 7.93537 GPRESSAVG: 723400 59.1422 -32.0208 -3.22227 -30.9547 -36.7381 16.956 -5.08702 18.2807 8.661 TIMING: 723400 CPU: 2281.09, 0.00320257/step Wall: 2281.09, 0.00320257/step, 3.80448 hours remaining, 236.019531 MB of memory in use. ENERGY: 723400 3984.2767 20733.9147 14550.1929 262.1610 -203597.2510 2650.5647 0.0000 0.0000 52039.7798 -109376.3611 299.0733 -161416.1409 -109014.1408 299.6564 -68.0292 -43.6865 761743.4241 10.4586 10.3550 PRESSURE: 723600 -270.597 218.509 -120.27 218.509 175.351 -134.782 -120.27 -134.781 84.5925 GPRESSURE: 723600 -195.355 132.279 -123.624 170.459 226.499 -105.43 -85.2001 -235.448 40.361 PRESSAVG: 723600 -28.652 11.6012 -10.7675 11.6012 -12.7349 -35.36 -10.7675 -35.3599 -8.66268 GPRESSAVG: 723600 -29.2052 11.0769 -10.0516 10.159 -11.3405 -34.435 -10.1514 -33.1328 -9.46321 TIMING: 723600 CPU: 2281.73, 0.00318667/step Wall: 2281.73, 0.00318667/step, 3.78541 hours remaining, 236.019531 MB of memory in use. ENERGY: 723600 3929.1501 20607.9467 14557.4897 246.0977 -203571.8138 2906.9157 0.0000 0.0000 52222.9598 -109101.2542 300.1261 -161324.2140 -108728.1556 299.5466 -3.5513 23.8351 761731.4332 -16.6832 -16.6697 PRESSURE: 723800 252.642 164.269 141.707 164.269 -151.244 -341.016 141.707 -341.015 -66.2599 GPRESSURE: 723800 176.618 217.015 112.319 216.783 -71.2734 -290.424 183.567 -334.25 11.4868 PRESSAVG: 723800 -11.596 -1.54034 51.9009 -1.54035 -7.72276 -66.9952 51.9009 -66.9953 12.7153 GPRESSAVG: 723800 -10.9553 -1.27428 51.336 -0.328944 -8.11911 -67.1899 52.3785 -68.2085 12.488 TIMING: 723800 CPU: 2282.36, 0.00316606/step Wall: 2282.36, 0.00316606/step, 3.76076 hours remaining, 236.019531 MB of memory in use. ENERGY: 723800 4028.7134 20478.9879 14532.6836 235.0599 -203501.6118 2882.0545 0.0000 0.0000 52117.1966 -109226.9158 299.5182 -161344.1124 -108862.0672 299.8495 11.7127 38.9438 761445.8960 -2.2012 -2.1955 PRESSURE: 724000 136.512 -174.403 42.9394 -174.404 -518.011 105.241 42.9396 105.241 -355.501 GPRESSURE: 724000 60.4358 -122.513 61.3238 -235.954 -344.067 126.847 168.408 166.909 -346.089 PRESSAVG: 724000 -7.62925 -2.44902 -44.878 -2.44902 38.8645 -70.4129 -44.878 -70.4129 16.7289 GPRESSAVG: 724000 -8.46075 -2.11611 -44.4364 -3.15664 39.3392 -71.5226 -45.3343 -68.3947 17.1511 TIMING: 724000 CPU: 2283.02, 0.00326464/step Wall: 2283.02, 0.00326464/step, 3.87766 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: 724000 3967.3919 20624.7365 14536.0617 237.9743 -203174.9187 2522.4591 0.0000 0.0000 52099.0972 -109187.1981 299.4142 -161286.2952 -108822.3756 299.8065 -245.6667 -209.9065 762444.8394 15.9880 16.0098 PRESSURE: 724200 -86.6917 30.1506 -117.588 30.1505 101.385 268.316 -117.588 268.317 217.252 GPRESSURE: 724200 -50.1444 40.2078 -75.1084 -35.843 126.177 205.419 -163.218 212.86 224.343 PRESSAVG: 724200 -45.1678 -14.4978 5.2019 -14.4977 16.4237 24.8584 5.20189 24.8585 -1.74595 GPRESSAVG: 724200 -44.5445 -16.3807 4.92577 -14.0178 15.9042 26.4713 6.26379 21.2972 -1.89435 TIMING: 724200 CPU: 2283.64, 0.00312907/step Wall: 2283.64, 0.00312907/step, 3.71647 hours remaining, 236.164062 MB of memory in use. ENERGY: 724200 4045.0696 20502.6845 14531.8735 237.4653 -203351.6401 2716.8328 0.0000 0.0000 51944.9957 -109372.7186 298.5286 -161317.7144 -109013.3096 299.4314 77.3152 100.1253 760777.6943 -10.1633 -10.1782 LDB: ============= START OF LOAD BALANCING ============== 2296.09 LDB: ============== END OF LOAD BALANCING =============== 2296.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2296.09 LDB: ============= START OF LOAD BALANCING ============== 2296.41 LDB: Largest compute 7076 load 0.037211 is 19.1% of average load 0.194945 LDB: Average compute 0.004402 is 2.3% of average load 0.194945 LDB: TIME 2296.41 LOAD: AVG 0.194945 MAX 0.21298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.754 MB LDB: TIME 2296.41 LOAD: AVG 0.194945 MAX 0.21298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: TIME 2296.41 LOAD: AVG 0.194945 MAX 0.21298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: ============== END OF LOAD BALANCING =============== 2296.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2296.42 PRESSURE: 724400 -25.2396 -73.254 -275.34 -73.2547 -198.764 2.39068 -275.342 2.39024 -238.952 GPRESSURE: 724400 -13.6927 -25.3946 -164.53 -68.9835 -137.424 33.4251 -354.843 8.45603 -223.611 PRESSAVG: 724400 -4.09853 -37.1864 -21.9654 -37.1864 8.49909 5.22728 -21.9654 5.22733 -4.25905 GPRESSAVG: 724400 -4.56094 -36.2816 -21.1035 -38.4193 8.39423 3.67832 -22.6684 7.21025 -3.87095 TIMING: 724400 CPU: 2284.28, 0.00321517/step Wall: 2284.28, 0.00321517/step, 3.81855 hours remaining, 238.070312 MB of memory in use. ENERGY: 724400 3982.5810 20652.3907 14529.9617 271.1362 -203135.4550 2265.3153 0.0000 0.0000 51957.4682 -109476.6018 298.6003 -161434.0701 -109128.7532 298.7351 -154.3183 -124.9091 762751.8016 0.0472 -0.0126 PRESSURE: 724600 -40.2597 31.0483 191.639 31.0478 -160.2 -50.3847 191.64 -50.3838 -205.69 GPRESSURE: 724600 -8.59736 67.3029 197.463 89.7706 -108.634 -14.3134 141.791 31.891 -200.802 PRESSAVG: 724600 24.0738 -42.3536 -10.7197 -42.3535 -45.8601 4.60427 -10.7197 4.60427 -7.44416 GPRESSAVG: 724600 24.7145 -42.2277 -11.7855 -41.9205 -46.6289 6.73492 -9.35858 5.10837 -7.56441 TIMING: 724600 CPU: 2284.91, 0.00315224/step Wall: 2284.91, 0.00315224/step, 3.74364 hours remaining, 238.332031 MB of memory in use. ENERGY: 724600 3968.1224 20470.8832 14576.4036 254.1914 -203321.9180 2481.9752 0.0000 0.0000 52017.2717 -109553.0705 298.9440 -161570.3423 -109188.8795 298.4968 -135.3834 -106.0110 761592.9867 -9.7435 -9.8263 PRESSURE: 724800 -124.419 -19.5083 96.4962 -19.5077 -481.071 -121.969 96.4956 -121.969 -462.222 GPRESSURE: 724800 -156.609 -82.65 107.608 52.0494 -387.171 -139.958 24.6299 -152.506 -452.724 PRESSAVG: 724800 8.86967 -22.75 33.8448 -22.7501 -11.4965 -5.41002 33.8448 -5.41006 1.19961 GPRESSAVG: 724800 8.44445 -22.7202 33.1383 -22.6157 -11.4092 -7.01347 33.9847 -5.04919 1.13747 TIMING: 724800 CPU: 2285.54, 0.00314641/step Wall: 2285.54, 0.00314641/step, 3.73653 hours remaining, 238.332031 MB of memory in use. ENERGY: 724800 3994.0422 20588.6756 14563.0622 235.8099 -202976.4868 2107.3884 0.0000 0.0000 51852.4185 -109635.0900 297.9966 -161487.5085 -109269.5848 298.6821 -355.9042 -332.1680 761077.3209 -0.4757 -0.6091 PRESSURE: 725000 113.166 -201.558 302.536 -201.559 61.2836 19.4004 302.536 19.3995 330.536 GPRESSURE: 725000 219.691 -230.461 250.86 -166.461 73.8173 -66.8526 155.611 120.4 295.37 PRESSAVG: 725000 41.2704 -13.1528 -4.33443 -13.1528 28.5092 48.4804 -4.33448 48.4805 -3.34252 GPRESSAVG: 725000 38.9378 -13.5095 -3.51416 -12.766 29.8706 47.4858 -7.31427 46.689 -2.26132 TIMING: 725000 CPU: 2286.17, 0.00315511/step Wall: 2286.17, 0.00315511/step, 3.74669 hours remaining, 238.343750 MB of memory in use. ENERGY: 725000 3930.3126 20460.8944 14515.7836 239.6184 -203477.7669 2565.9948 0.0000 0.0000 52089.7735 -109675.3896 299.3606 -161765.1630 -109318.0099 298.8749 168.3286 196.2928 761699.3257 22.1457 22.1824 PRESSURE: 725200 -11.7596 93.238 81.92 93.2382 141.535 51.9856 81.9204 51.9864 68.357 GPRESSURE: 725200 17.4362 24.1367 91.0451 121.582 142.683 91.8303 93.8302 156.885 126.493 PRESSAVG: 725200 -36.6428 -30.3019 24.7974 -30.3019 59.3741 -12.3671 24.7974 -12.367 1.66675 GPRESSAVG: 725200 -35.1961 -28.9384 24.8999 -30.5208 58.2489 -11.1459 25.3133 -11.0772 1.84966 TIMING: 725200 CPU: 2286.81, 0.00315984/step Wall: 2286.81, 0.00315984/step, 3.75213 hours remaining, 238.343750 MB of memory in use. ENERGY: 725200 3941.2786 20593.9921 14498.5013 255.8641 -203457.7716 2492.1147 0.0000 0.0000 51881.9154 -109794.1053 298.1661 -161676.0207 -109433.0538 298.9849 66.0440 95.5375 761032.2801 8.1327 8.3008 PRESSURE: 725400 -39.9144 -46.2458 -47.9115 -46.2457 94.2111 144.06 -47.9116 144.059 -83.0746 GPRESSURE: 725400 -17.9717 -41.7562 31.714 -106.896 126.155 148.681 -89.1834 149 -59.6922 PRESSAVG: 725400 -35.266 -65.6968 -14.3239 -65.6968 10.3659 22.6881 -14.3238 22.6881 -17.4816 GPRESSAVG: 725400 -35.7465 -66.048 -13.4201 -66.8177 10.1544 24.4842 -12.7637 22.1011 -17.1807 TIMING: 725400 CPU: 2287.44, 0.00315068/step Wall: 2287.44, 0.00315068/step, 3.74108 hours remaining, 238.343750 MB of memory in use. ENERGY: 725400 4000.3666 20788.8736 14568.3743 251.8356 -203542.3964 2285.0704 0.0000 0.0000 51920.1398 -109727.7359 298.3858 -161647.8758 -109368.4314 298.4798 -9.5926 16.1638 760862.0982 -14.1272 -14.2576 PRESSURE: 725600 -109.731 181.31 39.8364 181.31 85.5369 175.33 39.8363 175.33 -292.027 GPRESSURE: 725600 -74.0318 73.5138 74.8712 158.484 97.8425 198.876 -110.131 89.5831 -250.173 PRESSAVG: 725600 2.55299 -70.7717 12.6539 -70.7717 60.4347 64.5883 12.6539 64.5882 19.2128 GPRESSAVG: 725600 2.22532 -71.6329 12.5109 -69.6543 61.0859 63.0714 11.6055 65.4877 18.3735 TIMING: 725600 CPU: 2288.07, 0.00314467/step Wall: 2288.07, 0.00314467/step, 3.73378 hours remaining, 238.343750 MB of memory in use. ENERGY: 725600 3977.4857 20647.7410 14521.5165 233.9875 -203946.9878 2753.6870 0.0000 0.0000 52075.9776 -109736.5924 299.2814 -161812.5700 -109367.7830 299.0485 -105.4071 -75.4541 760308.4661 27.4001 27.2282 PRESSURE: 725800 136.116 23.8083 -101.123 23.8083 267.431 40.847 -101.124 40.8465 -38.6105 GPRESSURE: 725800 140.378 5.50245 -18.2271 8.99712 341.646 92.5319 -56.2 0.763115 -33.7631 PRESSAVG: 725800 -71.5382 -24.718 18.682 -24.718 32.7378 41.2791 18.682 41.279 -14.2102 GPRESSAVG: 725800 -71.6303 -25.1938 18.7206 -24.5317 32.9084 41.5122 18.1445 41.3258 -13.917 TIMING: 725800 CPU: 2288.7, 0.00315062/step Wall: 2288.7, 0.00315062/step, 3.74066 hours remaining, 238.343750 MB of memory in use. ENERGY: 725800 3954.0970 20492.2746 14516.3295 252.1188 -203404.7919 2474.5363 0.0000 0.0000 52071.1497 -109644.2859 299.2536 -161715.4356 -109284.8736 298.3952 121.6456 149.4203 760464.8792 -17.6702 -17.5463 PRESSURE: 726000 -91.3908 -99.1437 -112.938 -99.144 43.9285 139.882 -112.939 139.882 -94.0524 GPRESSURE: 726000 6.94127 -35.257 -56.3191 43.2798 72.5194 124.855 -214.184 143.087 -138.335 PRESSAVG: 726000 -38.8018 -36.9338 -1.52995 -36.9337 67.9832 23.4768 -1.52989 23.4768 -29.8348 GPRESSAVG: 726000 -38.1236 -35.0087 -2.22537 -38.5697 67.9957 24.1579 0.0345414 21.775 -30.6676 TIMING: 726000 CPU: 2289.32, 0.00314412/step Wall: 2289.32, 0.00314412/step, 3.73277 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 3934.7858 20410.8466 14486.1086 235.6888 -203554.7301 2540.9360 0.0000 0.0000 52256.8749 -109689.4894 300.3210 -161946.3643 -109326.8411 298.4616 -47.1715 -19.6249 760654.5894 -0.2178 -0.2652 PRESSURE: 726200 226.28 49.3958 32.4623 49.3946 158.673 -26.3525 32.4626 -26.3521 409.64 GPRESSURE: 726200 258.927 80.3882 20.5945 10.4318 115.19 -30.1369 -181.597 36.2358 497.244 PRESSAVG: 726200 29.6706 7.99319 -73.17 7.99313 -10.3056 22.6287 -73.17 22.6287 -14.1992 GPRESSAVG: 726200 29.3027 7.0431 -72.0268 8.31242 -9.36027 22.4503 -74.1908 22.4999 -14.8168 TIMING: 726200 CPU: 2289.96, 0.00316138/step Wall: 2289.96, 0.00316138/step, 3.75308 hours remaining, 238.343750 MB of memory in use. ENERGY: 726200 3932.5397 20570.0455 14562.9810 241.2930 -203526.1354 2687.6873 0.0000 0.0000 51980.3196 -109551.2693 298.7316 -161531.5889 -109193.6483 298.9828 264.8643 290.4536 760303.8851 1.7219 1.7085 PRESSURE: 726400 -12.1986 254.538 -15.7658 254.539 287.801 234.977 -15.7653 234.976 -235.993 GPRESSURE: 726400 70.8134 123.668 -27.4689 138.343 218.024 210.993 -9.51924 231.935 -175.638 PRESSAVG: 726400 -9.79777 41.3249 9.42671 41.3249 38.9094 28.0562 9.42667 28.0561 14.1957 GPRESSAVG: 726400 -9.57067 41.4219 8.53623 44.1986 37.7128 28.0358 8.82333 27.5801 15.4546 TIMING: 726400 CPU: 2290.58, 0.00313207/step Wall: 2290.58, 0.00313207/step, 3.71811 hours remaining, 238.343750 MB of memory in use. ENERGY: 726400 3946.9654 20483.5270 14545.0074 240.0316 -203357.7366 2613.4751 0.0000 0.0000 52021.2270 -109507.5031 298.9667 -161528.7301 -109139.2347 298.6441 13.2029 37.7332 761450.9205 14.4358 14.5322 PRESSURE: 726600 -347.125 -135.641 -2.1528 -135.641 -7.41115 37.6773 -2.15258 37.679 -562.653 GPRESSURE: 726600 -274.769 -115.846 -98.919 -49.0093 -29.0597 46.5224 64.3427 48.0712 -513.747 PRESSAVG: 726600 27.1048 -52.4693 59.4617 -52.4693 41.6146 48.1735 59.4617 48.1734 16.949 GPRESSAVG: 726600 26.5846 -52.7972 58.8544 -53.7232 41.79 47.2279 60.1443 48.7332 17.3477 TIMING: 726600 CPU: 2291.21, 0.00314674/step Wall: 2291.21, 0.00314674/step, 3.73535 hours remaining, 238.343750 MB of memory in use. ENERGY: 726600 4026.4746 20334.9946 14562.2595 267.1952 -203101.5088 2364.4934 0.0000 0.0000 51879.2013 -109666.8901 298.1505 -161546.0914 -109311.3136 298.8929 -305.7299 -272.5252 762009.9762 28.5561 28.5741 PRESSURE: 726800 -262.103 -41.2787 -113.967 -41.278 46.2515 -254.477 -113.967 -254.476 183.322 GPRESSURE: 726800 -216.6 -108.05 -76.5631 -87.5481 116.35 -245.874 -48.3909 -260.644 153.137 PRESSAVG: 726800 -1.59151 -57.3643 -19.5182 -57.3643 23.543 33.3154 -19.5182 33.3154 -0.652366 GPRESSAVG: 726800 -1.37002 -59.1779 -18.2008 -56.4224 23.8104 34.2358 -20.0638 32.2295 -1.15449 TIMING: 726800 CPU: 2291.84, 0.00314073/step Wall: 2291.84, 0.00314073/step, 3.72805 hours remaining, 238.343750 MB of memory in use. ENERGY: 726800 3941.1051 20419.0280 14450.1857 246.3137 -203908.8315 3055.2710 0.0000 0.0000 51943.8726 -109853.0554 298.5221 -161796.9280 -109498.5543 298.3476 -10.8433 17.6290 761811.1871 7.0997 7.0953 PRESSURE: 727000 218.353 -34.1961 -123.367 -34.1963 -68.4653 93.2272 -123.366 93.2269 -117.771 GPRESSURE: 727000 220.381 4.88415 -78.5712 -65.1907 3.59167 179.703 -126.525 18.9033 -91.5883 PRESSAVG: 727000 54.7604 -51.3485 16.6523 -51.3485 -45.481 5.16151 16.6523 5.16158 18.4396 GPRESSAVG: 727000 55.5194 -49.1732 16.9237 -53.1926 -45.5784 5.74461 17.6764 6.19483 17.6989 TIMING: 727000 CPU: 2292.48, 0.0031814/step Wall: 2292.48, 0.0031814/step, 3.77614 hours remaining, 238.343750 MB of memory in use. ENERGY: 727000 3925.5807 20189.7882 14451.5911 254.4602 -203293.9100 2731.1808 0.0000 0.0000 52223.5214 -109517.7875 300.1293 -161741.3089 -109151.9514 298.2820 10.7054 44.1282 762726.0629 9.2397 9.2133 PRESSURE: 727200 -8.51563 -81.1006 -213.949 -81.0999 -158.234 -101.111 -213.949 -101.11 37.9308 GPRESSURE: 727200 -52.5695 -91.6974 -212.812 -98.5633 -96.3164 -120.4 -290.388 -47.6038 95.9742 PRESSAVG: 727200 19.5232 15.6304 -6.2169 15.6304 -26.6842 -9.34842 -6.21688 -9.34842 -6.51552 GPRESSAVG: 727200 17.9306 12.8393 -7.7386 16.1364 -26.334 -10.2702 -7.15767 -8.89431 -5.25293 TIMING: 727200 CPU: 2293.11, 0.0031844/step Wall: 2293.11, 0.0031844/step, 3.77953 hours remaining, 238.343750 MB of memory in use. ENERGY: 727200 4011.7027 20446.1540 14486.6444 249.1893 -202970.9830 2433.1826 0.0000 0.0000 51918.4513 -109425.6588 298.3761 -161344.1101 -109071.5658 298.6823 -42.9396 -17.6372 762334.4877 -4.5588 -4.5521 PRESSURE: 727400 -235.82 -53.6083 -48.9706 -53.6085 -180.095 61.1174 -48.9698 61.1176 -372.393 GPRESSURE: 727400 -93.4238 4.33732 -67.7539 -57.8387 -190.345 146.832 -37.652 -33.8326 -417.965 PRESSAVG: 727400 22.3949 15.835 11.6889 15.835 -13.6582 -24.6861 11.689 -24.6861 -16.3775 GPRESSAVG: 727400 22.5788 17.4264 12.8107 16.8501 -13.866 -24.4971 13.3333 -24.4801 -16.445 TIMING: 727400 CPU: 2293.76, 0.00320556/step Wall: 2293.76, 0.00320556/step, 3.80447 hours remaining, 238.332031 MB of memory in use. ENERGY: 727400 3945.8055 20479.1570 14537.7040 248.2579 -203040.8804 2431.3624 0.0000 0.0000 51965.0276 -109433.5660 298.6437 -161398.5936 -109083.2332 298.5046 -262.7692 -233.9113 762649.9269 -2.5469 -2.5774 PRESSURE: 727600 211.81 239.959 140.168 239.959 327.372 -45.0977 140.167 -45.0964 252.05 GPRESSURE: 727600 184.397 119.959 216.364 274.725 365.56 -37.6678 121.383 14.0706 346.147 PRESSAVG: 727600 -13.3867 34.2963 5.33318 34.2963 7.57427 -25.2295 5.33321 -25.2295 14.1808 GPRESSAVG: 727600 -11.9444 33.7298 5.02124 33.3474 6.46274 -25.4344 4.45203 -23.4812 14.2551 TIMING: 727600 CPU: 2294.39, 0.00315507/step Wall: 2294.39, 0.00315507/step, 3.74436 hours remaining, 238.343750 MB of memory in use. ENERGY: 727600 3935.3180 20415.6678 14569.9420 269.8207 -203928.4828 3153.2703 0.0000 0.0000 52166.6831 -109417.7809 299.8026 -161584.4640 -109051.0204 298.9320 263.7442 298.7010 761998.7599 2.7895 2.9245 PRESSURE: 727800 194.227 -111.095 -100.73 -111.095 278.938 68.9833 -100.729 68.9842 -32.869 GPRESSURE: 727800 194.15 -16.3626 -177.725 -50.5386 242.498 56.9661 1.30732 61.0039 102.991 PRESSAVG: 727800 8.98195 31.2951 -31.2632 31.2951 36.1533 12.6242 -31.2633 12.6241 13.3886 GPRESSAVG: 727800 8.09361 31.1625 -32.1216 32.6879 36.654 13.1215 -30.8311 10.6589 13.7135 TIMING: 727800 CPU: 2295.02, 0.00316455/step Wall: 2295.02, 0.00316455/step, 3.75544 hours remaining, 238.343750 MB of memory in use. ENERGY: 727800 4003.8733 20464.1185 14461.4419 236.2601 -203406.5247 2734.9636 0.0000 0.0000 51950.4446 -109555.4228 298.5599 -161505.8674 -109191.6252 298.8649 146.7654 179.8797 761927.1038 19.5080 19.4870 PRESSURE: 728000 35.283 131.564 288.595 131.564 115.847 -148.19 288.594 -148.19 297.126 GPRESSURE: 728000 97.247 151.132 232.39 114.129 71.3561 -80.2349 433.285 -83.2002 344.748 PRESSAVG: 728000 0.270619 -16.8785 -11.3479 -16.8785 -2.61127 10.6826 -11.3479 10.6826 -22.616 GPRESSAVG: 728000 0.800063 -15.6181 -10.4468 -17.7768 -1.78109 10.4953 -11.3273 10.323 -23.995 TIMING: 728000 CPU: 2295.65, 0.00316638/step Wall: 2295.65, 0.00316637/step, 3.75743 hours remaining, 238.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 3958.9848 20341.4063 14522.0228 264.3414 -203434.1930 2654.5559 0.0000 0.0000 52064.2003 -109628.6815 299.2137 -161692.8818 -109271.5758 298.5947 149.4186 171.1171 760337.5834 -8.3189 -8.3253 PRESSURE: 728200 -79.1538 46.7111 -57.6436 46.7125 74.7761 -95.9495 -57.6437 -95.9494 -32.7692 GPRESSURE: 728200 -8.3985 87.5369 -42.9734 22.6662 88.5157 -178.15 -47.0727 -53.1788 -19.74 PRESSAVG: 728200 -10.8277 -30.3933 -25.2681 -30.3932 -15.9879 10.4659 -25.2681 10.4658 41.1664 GPRESSAVG: 728200 -11.4005 -31.1773 -26.6818 -31.3543 -16.6333 9.55601 -24.3172 10.0246 42.296 TIMING: 728200 CPU: 2296.28, 0.00315878/step Wall: 2296.28, 0.00315878/step, 3.74825 hours remaining, 238.343750 MB of memory in use. ENERGY: 728200 4006.8694 20564.2792 14562.0851 261.3344 -203643.7883 2815.7573 0.0000 0.0000 51963.0385 -109470.4244 298.6323 -161433.4629 -109111.4926 298.5059 -12.3823 20.1258 761835.5342 4.7836 4.7541 LDB: ============= START OF LOAD BALANCING ============== 2308.74 LDB: ============== END OF LOAD BALANCING =============== 2308.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2308.74 LDB: ============= START OF LOAD BALANCING ============== 2309.06 LDB: Largest compute 7076 load 0.035101 is 18.0% of average load 0.194973 LDB: Average compute 0.004420 is 2.3% of average load 0.194973 LDB: TIME 2309.06 LOAD: AVG 0.194973 MAX 0.213015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 2309.06 LOAD: AVG 0.194973 MAX 0.213015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.445 MB LDB: TIME 2309.06 LOAD: AVG 0.194973 MAX 0.213015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.445 MB LDB: ============== END OF LOAD BALANCING =============== 2309.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2309.07 PRESSURE: 728400 1.90145 5.03062 -142.372 5.02955 22.8106 28.5044 -142.371 28.5033 -54.0755 GPRESSURE: 728400 69.1467 94.6107 -191.151 17.7639 74.1207 28.1063 -125.917 26.1087 -112.207 PRESSAVG: 728400 -28.4399 50.4348 -67.562 50.4348 -7.98488 -14.4755 -67.562 -14.4755 25.2404 GPRESSAVG: 728400 -29.5675 50.7483 -66.3697 51.2779 -5.65541 -12.8768 -69.3207 -12.5646 23.9183 TIMING: 728400 CPU: 2296.93, 0.00322913/step Wall: 2296.93, 0.00322913/step, 3.83154 hours remaining, 236.472656 MB of memory in use. ENERGY: 728400 3968.8111 20441.7327 14533.3330 244.9863 -203445.7183 2566.1141 0.0000 0.0000 52099.5417 -109591.1995 299.4168 -161690.7412 -109229.8848 298.8780 -9.7878 10.3534 761631.4346 -3.7281 -3.7682 PRESSURE: 728600 225.307 -59.3194 -271.59 -59.3193 60.4915 179.079 -271.591 179.078 356.531 GPRESSURE: 728600 202.194 47.1525 -262.934 -65.7285 123.658 98.1948 -151.31 96.9527 380.497 PRESSAVG: 728600 -11.2935 -5.905 -31.0274 -5.90499 51.8242 37.5809 -31.0274 37.5809 -5.98002 GPRESSAVG: 728600 -11.1794 -4.93087 -30.7245 -5.27153 51.7 37.3232 -29.4371 33.9598 -6.13048 TIMING: 728600 CPU: 2297.57, 0.00318433/step Wall: 2297.57, 0.00318433/step, 3.77821 hours remaining, 236.472656 MB of memory in use. ENERGY: 728600 3893.9402 20502.6670 14546.5729 257.4382 -203517.9582 2755.3050 0.0000 0.0000 52071.8073 -109490.2276 299.2574 -161562.0349 -109125.4447 298.8330 214.1098 235.4495 761376.2678 11.5169 11.4634 PRESSURE: 728800 -194.468 72.8935 -108.724 72.8932 -308.31 49.2665 -108.724 49.2657 -105.911 GPRESSURE: 728800 -217.023 16.0129 -153.122 62.0991 -223.647 148.782 -113.47 -11.731 -86.6357 PRESSAVG: 728800 -11.9018 19.6093 14.0811 19.6092 -7.54747 24.4523 14.0811 24.4522 29.0557 GPRESSAVG: 728800 -11.3579 18.6784 13.8266 18.5642 -9.10576 24.3529 14.1983 23.359 30.0854 TIMING: 728800 CPU: 2298.2, 0.00316756/step Wall: 2298.2, 0.00316756/step, 3.75814 hours remaining, 236.472656 MB of memory in use. ENERGY: 728800 4041.2704 20402.7600 14530.9906 235.6236 -203718.5381 2861.4591 0.0000 0.0000 52234.5850 -109411.8494 300.1929 -161646.4344 -109047.4914 299.1211 -202.8966 -175.7685 763089.7301 3.2021 3.2072 PRESSURE: 729000 49.9687 -80.5103 -47.2235 -80.5108 145.907 -426.257 -47.224 -426.257 99.407 GPRESSURE: 729000 81.449 -113.861 29.082 10.3608 165.413 -537.238 32.196 -128.873 133.485 PRESSAVG: 729000 -30.476 9.74049 -29.4762 9.74054 66.8675 7.49876 -29.4762 7.49876 19.9784 GPRESSAVG: 729000 -30.2971 9.83962 -28.8365 10.5512 68.0348 5.61241 -31.367 10.2809 19.2111 TIMING: 729000 CPU: 2298.83, 0.00317089/step Wall: 2298.83, 0.00317089/step, 3.76191 hours remaining, 236.472656 MB of memory in use. ENERGY: 729000 3972.0541 20565.5932 14592.4141 253.4854 -203615.0616 2948.9312 0.0000 0.0000 51808.8769 -109473.7067 297.7463 -161282.5836 -109112.1391 299.0038 98.4277 126.7825 762682.1102 18.7900 18.9830 PRESSURE: 729200 -314.811 -106.927 -14.2435 -106.928 -128.729 49.114 -14.2434 49.1145 -365.054 GPRESSURE: 729200 -227.079 -60.0921 -131.341 -108.858 -148.899 52.0876 17.2054 -23.5782 -347.813 PRESSAVG: 729200 13.2912 -26.0036 16.1287 -26.0036 -11.7441 -21.0595 16.1288 -21.0595 -16.2573 GPRESSAVG: 729200 12.219 -26.9265 14.6246 -25.3387 -11.3105 -18.4147 16.6967 -19.9859 -16.0685 TIMING: 729200 CPU: 2299.47, 0.00318535/step Wall: 2299.47, 0.00318535/step, 3.77888 hours remaining, 236.472656 MB of memory in use. ENERGY: 729200 4007.9139 20513.1480 14531.0258 243.1486 -203348.9562 2597.7461 0.0000 0.0000 51828.8757 -109627.0981 297.8613 -161455.9738 -109273.3715 298.2568 -269.5314 -241.2634 762499.7674 -4.9034 -5.0533 PRESSURE: 729400 -186.846 -56.1861 138.661 -56.1865 -8.01452 154.257 138.662 154.257 278.434 GPRESSURE: 729400 -104.385 -96.2813 74.3045 -117.249 -66.6462 173.255 268.005 33.5591 321.603 PRESSAVG: 729400 -39.5911 -20.5058 80.0222 -20.5058 53.2957 -1.02923 80.0222 -1.02926 1.78341 GPRESSAVG: 729400 -38.4599 -19.1018 81.6134 -22.0303 53.1437 -1.3873 79.6104 -1.60578 0.996901 TIMING: 729400 CPU: 2300.11, 0.0031839/step Wall: 2300.11, 0.0031839/step, 3.77699 hours remaining, 236.675781 MB of memory in use. ENERGY: 729400 4073.6284 20586.0641 14537.4539 227.7270 -203667.2055 2742.4092 0.0000 0.0000 51906.0124 -109593.9104 298.3046 -161499.9229 -109230.8370 299.1506 27.8581 50.1905 761558.1070 5.1627 5.2269 PRESSURE: 729600 138.838 176.593 -27.1628 176.593 122.617 -164.774 -27.1621 -164.775 537.304 GPRESSURE: 729600 209.714 116.566 33.0582 162.696 113.444 -139.757 36.7902 -72.4198 554.88 PRESSAVG: 729600 17.7197 -15.9783 38.0203 -15.9783 15.8015 20.9759 38.0203 20.9759 5.35678 GPRESSAVG: 729600 18.0528 -16.1323 37.7763 -18.4584 14.1013 19.7409 40.2151 19.5961 6.69148 TIMING: 729600 CPU: 2300.75, 0.00318568/step Wall: 2300.75, 0.00318568/step, 3.77892 hours remaining, 236.675781 MB of memory in use. ENERGY: 729600 3952.8332 20484.8919 14562.5890 239.5984 -204197.2885 3164.3840 0.0000 0.0000 52169.6615 -109623.3305 299.8198 -161792.9920 -109258.3576 298.7340 266.2529 292.6792 760373.3676 12.9593 12.9485 PRESSURE: 729800 -1.59173 -114.881 150.363 -114.881 52.6446 -11.1787 150.363 -11.1785 -574.099 GPRESSURE: 729800 17.6281 -70.8889 115.886 -103.031 87.0723 27.7324 75.3411 78.6997 -536.499 PRESSAVG: 729800 25.478 -58.7458 33.579 -58.7458 -26.145 20.6006 33.5789 20.6006 -6.4396 GPRESSAVG: 729800 27.2716 -58.2005 35.2022 -55.9487 -26.3862 21.321 30.9448 22.8795 -8.09136 TIMING: 729800 CPU: 2301.38, 0.00318368/step Wall: 2301.38, 0.00318368/step, 3.77637 hours remaining, 236.675781 MB of memory in use. ENERGY: 729800 4006.8879 20527.9483 14521.6402 251.7138 -203057.2929 2357.0264 0.0000 0.0000 51893.9728 -109498.1035 298.2354 -161392.0763 -109136.2426 298.7666 -174.3486 -143.9328 761268.6521 -2.3688 -2.4020 PRESSURE: 730000 404.634 -0.635567 -70.2355 -0.636106 -278.822 19.2286 -70.2352 19.2278 452.392 GPRESSURE: 730000 415.718 -133.536 -20.6087 8.04463 -209.75 98.8147 -63.4328 1.31821 484.193 PRESSAVG: 730000 30.4236 -44.9872 -22.418 -44.9872 -40.7965 5.69074 -22.418 5.69078 7.19125 GPRESSAVG: 730000 28.7459 -46.4662 -25.5705 -46.0764 -39.5248 5.17249 -19.7613 4.08356 7.77131 TIMING: 730000 CPU: 2302.01, 0.00315817/step Wall: 2302.01, 0.00315817/step, 3.74594 hours remaining, 236.675781 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: 730000 3966.5216 20459.8340 14592.5906 239.2707 -203636.3195 2706.7749 0.0000 0.0000 52285.0434 -109386.2842 300.4829 -161671.3276 -109018.4741 298.7655 192.7346 230.0538 761788.9881 -1.0605 -1.0025 PRESSURE: 730200 64.2669 -171.226 182.629 -171.225 245.546 198.419 182.63 198.421 42.8722 GPRESSURE: 730200 90.4774 -164.157 243.494 -237.607 283.578 113.933 48.8505 65.2536 76.1616 PRESSAVG: 730200 33.7032 -33.6751 -32.0087 -33.6751 4.39047 -10.2266 -32.0088 -10.2266 -6.13843 GPRESSAVG: 730200 34.1594 -33.4645 -29.1292 -34.1466 3.2866 -10.2425 -32.9825 -9.69563 -5.79841 TIMING: 730200 CPU: 2302.65, 0.00316088/step Wall: 2302.65, 0.00316088/step, 3.74898 hours remaining, 236.675781 MB of memory in use. ENERGY: 730200 3979.1869 20564.3314 14554.2942 243.2222 -203455.4312 2720.4274 0.0000 0.0000 52037.8006 -109356.1685 299.0620 -161393.9690 -108996.9407 298.8223 117.5617 150.0722 761829.6867 10.6517 10.5492 PRESSURE: 730400 52.9654 -102.418 29.2352 -102.419 -254.165 -223.415 29.2352 -223.415 141.79 GPRESSURE: 730400 73.769 -183.584 149.635 -161.645 -185.718 -263.08 106.027 -154.306 136.274 PRESSAVG: 730400 30.8034 4.88561 -21.7213 4.8856 -18.6071 -62.8127 -21.7213 -62.8127 3.49898 GPRESSAVG: 730400 29.1207 6.86013 -24.0562 6.24116 -17.7592 -62.8271 -21.0109 -62.0168 3.93512 TIMING: 730400 CPU: 2303.28, 0.00316058/step Wall: 2303.28, 0.00316058/step, 3.74844 hours remaining, 236.675781 MB of memory in use. ENERGY: 730400 3996.5824 20605.9736 14491.0551 236.2439 -203350.6178 2386.6965 0.0000 0.0000 52143.5229 -109490.5434 299.6695 -161634.0663 -109126.6574 298.5990 -19.8030 8.1081 761458.7296 5.2318 5.0989 PRESSURE: 730600 121.727 42.8862 -182.808 42.8858 -270.313 -41.481 -182.809 -41.4811 230.57 GPRESSURE: 730600 40.3308 99.1788 -202.128 104.117 -106.054 -73.7807 -43.4928 31.3132 251.643 PRESSAVG: 730600 -40.066 -36.2012 -9.43822 -36.2012 47.3328 69.9235 -9.43815 69.9236 24.2141 GPRESSAVG: 730600 -39.1322 -36.0621 -8.01681 -37.4102 49.526 69.6763 -7.67112 70.8773 22.1794 TIMING: 730600 CPU: 2303.91, 0.00316426/step Wall: 2303.91, 0.00316426/step, 3.75264 hours remaining, 236.675781 MB of memory in use. ENERGY: 730600 3992.2515 20394.9148 14508.5049 248.9500 -203376.3942 2543.3643 0.0000 0.0000 52074.1240 -109614.2848 299.2707 -161688.4087 -109251.1989 298.6140 27.3283 61.9732 760962.4379 10.4937 10.8577 PRESSURE: 730800 42.036 102.626 153.572 102.627 239.156 145.028 153.571 145.028 -160.93 GPRESSURE: 730800 38.6835 195.936 38.5837 25.9351 253.106 50.0893 131.203 98.8047 -86.4355 PRESSAVG: 730800 -42.6506 4.60231 33.5479 4.60226 67.7299 45.3947 33.5478 45.3947 -0.0110769 GPRESSAVG: 730800 -44.3522 4.30057 33.5761 6.91058 67.6958 44.0657 31.8698 44.7447 1.70877 TIMING: 730800 CPU: 2304.54, 0.00313737/step Wall: 2304.54, 0.00313737/step, 3.72057 hours remaining, 236.675781 MB of memory in use. ENERGY: 730800 3969.8764 20502.1540 14529.7206 256.2275 -203671.8188 2831.0302 0.0000 0.0000 52082.9225 -109499.8875 299.3213 -161582.8100 -109133.3160 298.3780 40.0875 68.4514 760929.4176 8.3561 8.3508 PRESSURE: 731000 -225.644 -16.5458 -45.9427 -16.5462 -223.412 -48.2296 -45.9431 -48.23 -309.736 GPRESSURE: 731000 -186.874 -18.4995 -44.7239 -52.9396 -231.004 -46.4884 46.9656 35.2409 -269.818 PRESSAVG: 731000 -80.5983 -4.44521 2.84045 -4.44522 44.0549 36.3663 2.84041 36.3662 -10.1623 GPRESSAVG: 731000 -78.9869 -4.02609 3.87828 -5.27371 41.693 37.0434 1.41481 35.5137 -9.71177 TIMING: 731000 CPU: 2305.17, 0.00314342/step Wall: 2305.17, 0.00314342/step, 3.72757 hours remaining, 236.675781 MB of memory in use. ENERGY: 731000 3955.3641 20678.2235 14578.6420 241.7988 -203122.1881 2404.3192 0.0000 0.0000 51751.9383 -109511.9021 297.4191 -161263.8404 -109158.0655 298.8732 -252.9307 -229.2319 761765.8854 -15.5686 -15.6686 PRESSURE: 731200 -237.489 137.082 26.6154 137.082 158.904 200.855 26.6158 200.854 -73.8744 GPRESSURE: 731200 -172.028 175.174 61.6193 33.2162 162.464 141.241 87.824 175.784 -40.9378 PRESSAVG: 731200 -23.6058 10.7726 10.5701 10.7726 40.0005 7.1919 10.5701 7.19196 -8.65031 GPRESSAVG: 731200 -23.7262 9.92457 9.5448 10.1793 41.9025 7.78458 11.0871 8.75359 -10.7479 TIMING: 731200 CPU: 2305.8, 0.00318262/step Wall: 2305.8, 0.00318262/step, 3.77388 hours remaining, 236.675781 MB of memory in use. ENERGY: 731200 4017.2497 20567.7989 14584.1979 255.2778 -203630.5420 2700.7594 0.0000 0.0000 52013.7367 -109491.5217 298.9237 -161505.2584 -109136.8014 298.5598 -50.8198 -16.8341 761377.1634 2.5815 2.4761 PRESSURE: 731400 -6.22942 16.8298 -138.588 16.8294 54.8199 7.4894 -138.588 7.48929 -176.763 GPRESSURE: 731400 54.3519 71.4134 -101.369 53.3745 12.1213 -3.97711 -87.2676 -46.3141 -105.084 PRESSAVG: 731400 13.0692 -9.83012 15.326 -9.8301 -7.46188 36.6433 15.3261 36.6433 -1.04182 GPRESSAVG: 731400 13.7999 -8.70835 14.2794 -9.78888 -8.02439 34.9676 16.7037 35.1392 -0.818352 TIMING: 731400 CPU: 2306.44, 0.00316096/step Wall: 2306.44, 0.00316096/step, 3.74802 hours remaining, 236.675781 MB of memory in use. ENERGY: 731400 4076.7308 20580.4105 14551.8137 249.0556 -203397.5131 2665.2316 0.0000 0.0000 51888.1162 -109386.1548 298.2017 -161274.2710 -109022.7684 298.7807 -42.7242 -12.8703 760475.8808 1.5218 1.6524 PRESSURE: 731600 -136.492 72.2034 222.478 72.2029 421.115 -90.8482 222.478 -90.8494 467.417 GPRESSURE: 731600 36.0428 122.371 148.979 72.8739 405.659 -93.9145 261.94 -50.6556 384.356 PRESSAVG: 731600 -19.6748 -11.19 -33.1107 -11.1899 61.2947 -19.1869 -33.1107 -19.1869 14.5454 GPRESSAVG: 731600 -20.1587 -10.0661 -32.8407 -11.3348 59.9745 -16.0828 -32.3752 -21.1319 16.1437 TIMING: 731600 CPU: 2307.07, 0.00316132/step Wall: 2307.07, 0.00316132/step, 3.74827 hours remaining, 236.675781 MB of memory in use. ENERGY: 731600 3997.6741 20494.0160 14511.2579 251.4185 -203608.2231 2843.5263 0.0000 0.0000 52142.7891 -109367.5413 299.6653 -161510.3304 -109009.5358 298.9525 250.6798 275.3527 761903.1718 18.7218 18.6532 PRESSURE: 731800 73.5872 -71.68 10.4047 -71.679 -217.441 -300.105 10.4051 -300.104 -131.659 GPRESSURE: 731800 201.987 -149.94 65.9038 -77.7702 -232.233 -367.981 -45.824 -232.65 -199.399 PRESSAVG: 731800 -8.3232 -36.1146 1.90865 -36.1145 39.0205 -19.3418 1.90862 -19.3417 -19.0083 GPRESSAVG: 731800 -8.59676 -38.1006 3.93791 -35.9309 40.6046 -21.5299 -0.621158 -18.4014 -21.13 TIMING: 731800 CPU: 2307.7, 0.00315475/step Wall: 2307.7, 0.00315475/step, 3.7403 hours remaining, 236.675781 MB of memory in use. ENERGY: 731800 4011.3239 20410.6408 14516.3219 224.7681 -203239.5879 2595.8536 0.0000 0.0000 52101.8197 -109378.8599 299.4299 -161480.6796 -109003.3315 298.9540 -91.8377 -76.5484 762315.3085 3.8963 3.6260 PRESSURE: 732000 -357.653 -34.0681 234.799 -34.0681 -46.4351 42.113 234.799 42.1127 -229.529 GPRESSURE: 732000 -167.666 -55.8472 196.48 108.507 -105.456 19.0653 205.561 -9.9641 -288.845 PRESSAVG: 732000 -2.71508 -20.2801 -53.6812 -20.28 30.4597 -5.05299 -53.6812 -5.05291 -10.7113 GPRESSAVG: 732000 -2.4089 -20.3812 -54.1183 -18.9133 29.6149 -6.36717 -54.1295 -2.5775 -10.0689 TIMING: 732000 CPU: 2308.33, 0.00315541/step Wall: 2308.33, 0.00315541/step, 3.74091 hours remaining, 236.675781 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: 732000 4028.7851 20416.1317 14518.9000 230.0549 -203320.4086 2562.4406 0.0000 0.0000 52206.5380 -109357.5583 300.0317 -161564.0963 -108986.2718 299.6426 -211.2057 -187.3223 763013.3700 5.6778 5.7124 PRESSURE: 732200 -122.587 -66.2004 -43.7384 -66.2002 -2.62083 -194.403 -43.7384 -194.403 26.4603 GPRESSURE: 732200 19.4392 10.9384 -135.459 -68.6146 -47.9621 -112.401 55.8509 -154.999 23.5444 PRESSAVG: 732200 23.9182 -28.0204 -14.8732 -28.0204 19.4387 -24.0677 -14.8732 -24.0676 8.27384 GPRESSAVG: 732200 24.6788 -28.2957 -14.6943 -30.3817 18.4893 -21.792 -13.3415 -25.912 8.31844 TIMING: 732200 CPU: 2308.96, 0.00316832/step Wall: 2308.96, 0.00316832/step, 3.75604 hours remaining, 236.675781 MB of memory in use. ENERGY: 732200 3985.0108 20569.5463 14484.2445 225.7309 -203131.6905 2433.3964 0.0000 0.0000 52140.6515 -109293.1101 299.6530 -161433.7616 -108936.1247 299.1003 -32.9159 -1.6595 762824.6929 17.2102 17.1622 LDB: ============= START OF LOAD BALANCING ============== 2321.42 LDB: ============== END OF LOAD BALANCING =============== 2321.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2321.42 LDB: ============= START OF LOAD BALANCING ============== 2321.74 LDB: Largest compute 7026 load 0.036753 is 18.8% of average load 0.195002 LDB: Average compute 0.004426 is 2.3% of average load 0.195002 LDB: TIME 2321.74 LOAD: AVG 0.195002 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.242 MB LDB: TIME 2321.74 LOAD: AVG 0.195002 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: TIME 2321.74 LOAD: AVG 0.195002 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: ============== END OF LOAD BALANCING =============== 2321.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2321.75 PRESSURE: 732400 5.1226 -68.5283 -101.569 -68.5284 -608.154 113.46 -101.569 113.46 -235.801 GPRESSURE: 732400 62.8733 18.8932 -131.551 66.5581 -585.158 160.007 -20.9967 51.5417 -231.999 PRESSAVG: 732400 28.709 -51.469 -21.7885 -51.4691 -6.0212 -16.3095 -21.7885 -16.3096 11.4022 GPRESSAVG: 732400 26.3279 -52.868 -21.8087 -49.8709 -5.45519 -16.5071 -19.7896 -17.3296 13.3172 TIMING: 732400 CPU: 2309.62, 0.00325835/step Wall: 2309.62, 0.00325835/step, 3.8626 hours remaining, 237.042969 MB of memory in use. ENERGY: 732400 3980.2814 20517.2343 14514.7010 253.3130 -202962.0934 2363.1210 0.0000 0.0000 51943.3954 -109390.0473 298.5194 -161333.4427 -109028.0776 299.0516 -279.6106 -251.4279 763268.9785 11.3633 11.3967 PRESSURE: 732600 20.9358 -0.114854 190.267 -0.114132 187.813 157.265 190.267 157.264 -144.151 GPRESSURE: 732600 110.353 72.0041 208.867 18.9716 207.123 112.17 92.5818 21.3507 -151.17 PRESSAVG: 732600 0.961145 6.44152 -43.6896 6.44146 3.56983 -6.83268 -43.6897 -6.83269 -27.1701 GPRESSAVG: 732600 3.66931 7.41691 -44.5086 6.95781 3.55346 -7.85458 -45.031 -7.05891 -29.4144 TIMING: 732600 CPU: 2310.25, 0.00316363/step Wall: 2310.25, 0.00316363/step, 3.75014 hours remaining, 237.246094 MB of memory in use. ENERGY: 732600 4026.6805 20450.7186 14628.7141 246.7152 -203470.4716 2722.4275 0.0000 0.0000 51936.4552 -109458.7605 298.4795 -161395.2157 -109098.9386 298.7592 21.5327 55.4352 762233.0488 -7.5464 -7.3972 PRESSURE: 732800 101.729 -292.013 25.9492 -292.013 -302.838 128.726 25.9489 128.725 -532.295 GPRESSURE: 732800 51.986 -252.559 43.0861 -288.75 -178.844 126.739 186.014 228.953 -519.179 PRESSAVG: 732800 11.3714 -36.4108 7.86409 -36.4107 12.0474 33.9117 7.86406 33.9117 -25.7531 GPRESSAVG: 732800 9.80795 -34.9308 7.04397 -37.3618 13.8382 34.5184 9.24583 34.7955 -25.8935 TIMING: 732800 CPU: 2310.88, 0.00317042/step Wall: 2310.88, 0.00317042/step, 3.75801 hours remaining, 237.246094 MB of memory in use. ENERGY: 732800 4062.1157 20549.2969 14534.6504 242.8309 -203584.2323 2779.5355 0.0000 0.0000 52028.9044 -109386.8986 299.0108 -161415.8030 -109030.1705 299.4779 -244.4681 -215.3457 762273.6278 -0.7781 -0.7491 PRESSURE: 733000 48.3605 -141.785 169.974 -141.785 -105.801 132.729 169.975 132.729 -169.978 GPRESSURE: 733000 35.9828 -127.078 129.421 -133.76 -35.4352 88.3418 155.142 199.132 -153.224 PRESSAVG: 733000 -3.93206 -34.038 12.513 -34.038 -49.0504 35.8933 12.513 35.8934 29.2955 GPRESSAVG: 733000 -4.08907 -35.6627 13.5686 -33.3113 -48.7846 35.39 11.5769 37.5175 28.9508 TIMING: 733000 CPU: 2311.51, 0.00315191/step Wall: 2311.51, 0.00315191/step, 3.73588 hours remaining, 237.246094 MB of memory in use. ENERGY: 733000 4012.5542 20526.3129 14578.2518 248.0044 -203430.5443 2683.2053 0.0000 0.0000 52153.9217 -109228.2941 299.7293 -161382.2157 -108866.9655 299.4642 -75.8063 -50.8922 762801.8755 -7.8956 -7.9743 PRESSURE: 733200 -21.0501 43.5462 -71.7896 43.547 -76.0298 -275.684 -71.7887 -275.683 -184.801 GPRESSURE: 733200 83.9754 67.7169 -30.6392 64.302 -69.2401 -353.89 -148.948 -196.924 -243.848 PRESSAVG: 733200 -18.347 -44.3709 10.9855 -44.3709 -4.68832 -30.8122 10.9856 -30.8122 4.30245 GPRESSAVG: 733200 -18.2222 -44.2335 11.0652 -45.827 -5.25366 -29.6329 9.51379 -32.6185 4.47124 TIMING: 733200 CPU: 2312.14, 0.00316084/step Wall: 2312.14, 0.00316084/step, 3.7463 hours remaining, 237.246094 MB of memory in use. ENERGY: 733200 3984.4806 20635.7433 14547.2900 250.4553 -203146.6233 2455.4093 0.0000 0.0000 52110.9317 -109162.3131 299.4822 -161273.2448 -108801.3825 299.2174 -93.9604 -76.3708 761466.3184 -6.2443 -6.3349 PRESSURE: 733400 26.9201 251.022 103.95 251.022 40.7184 -130.88 103.951 -130.879 -82.7453 GPRESSURE: 733400 15.3856 251.353 35.7456 230.03 124.683 -103.722 158.959 -67.2875 -66.8285 PRESSAVG: 733400 -7.8154 -4.43252 30.952 -4.43253 12.8346 -66.0882 30.952 -66.0882 5.77853 GPRESSAVG: 733400 -8.23178 -4.22546 31.0334 -4.09741 13.5767 -66.7493 30.8056 -65.0335 5.98634 TIMING: 733400 CPU: 2312.78, 0.00315948/step Wall: 2312.78, 0.00315948/step, 3.74451 hours remaining, 237.246094 MB of memory in use. ENERGY: 733400 3969.6899 20380.7221 14623.9992 250.8047 -203383.8721 2617.8645 0.0000 0.0000 52481.4367 -109059.3550 301.6115 -161540.7917 -108696.6207 299.5414 -5.0356 24.4134 761528.7209 3.5992 3.7771 PRESSURE: 733600 -45.3588 -77.1004 -114.784 -77.1013 159.635 -8.75636 -114.784 -8.75555 143.654 GPRESSURE: 733600 33.8894 -1.33049 -59.1317 -9.95475 216.7 -39.7398 60.1667 27.4228 84.7933 PRESSAVG: 733600 -46.3261 1.87539 27.3543 1.87542 101.763 -22.6825 27.3543 -22.6824 -10.714 GPRESSAVG: 733600 -45.1563 1.26787 27.643 4.20078 100.42 -22.6108 29.0922 -23.1975 -10.3818 TIMING: 733600 CPU: 2313.41, 0.0031751/step Wall: 2313.41, 0.0031751/step, 3.76285 hours remaining, 237.246094 MB of memory in use. ENERGY: 733600 4004.0964 20574.2041 14622.2186 253.0157 -202920.8134 2353.2514 0.0000 0.0000 52148.7565 -108965.2708 299.6996 -161114.0273 -108607.8657 300.1374 85.9767 111.7944 760692.6922 14.9077 14.9605 PRESSURE: 733800 -224.797 52.0238 8.68191 52.0228 -240.239 -146.6 8.68197 -146.601 -547.2 GPRESSURE: 733800 -237.219 37.3953 67.791 18.7819 -156.251 -128.612 89.1472 -140.821 -529.068 PRESSAVG: 733800 -82.5947 30.7232 2.06971 30.7231 115.465 -25.1643 2.06974 -25.1643 7.63536 GPRESSAVG: 733800 -81.5154 30.6661 2.51636 29.5494 116.138 -25.6825 2.70583 -24.4218 6.34703 TIMING: 733800 CPU: 2314.05, 0.00318815/step Wall: 2314.05, 0.00318815/step, 3.77814 hours remaining, 237.246094 MB of memory in use. ENERGY: 733800 4098.9386 20485.3129 14610.6763 240.9788 -203273.9837 2498.0739 0.0000 0.0000 52393.2059 -108946.7974 301.1045 -161340.0032 -108572.9141 299.9412 -337.4119 -307.5127 760535.3663 13.5020 13.6565 PRESSURE: 734000 -160.6 34.1719 101.995 34.1714 211.715 92.4731 101.994 92.4721 -59.0869 GPRESSURE: 734000 -138.857 121.355 16.2811 23.7539 181.491 104.332 19.718 60.2689 32.3496 PRESSAVG: 734000 -66.5703 -13.7643 7.77241 -13.7643 94.6469 -55.4999 7.77244 -55.4998 0.649598 GPRESSAVG: 734000 -67.6161 -14.0079 7.38847 -15.3776 94.1606 -55.2504 5.93413 -56.8378 2.05383 TIMING: 734000 CPU: 2314.68, 0.00317585/step Wall: 2314.68, 0.00317585/step, 3.76339 hours remaining, 237.246094 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: 734000 4031.6256 20659.4372 14533.0114 263.1641 -203187.3242 2652.3047 0.0000 0.0000 52246.7048 -108801.0764 300.2625 -161047.7813 -108450.2872 300.0936 -2.6571 24.9945 761769.6265 9.5754 9.5328 PRESSURE: 734200 64.0283 107.419 -101.535 107.419 50.8573 53.8029 -101.536 53.8031 -89.1695 GPRESSURE: 734200 95.7855 55.1897 -73.6656 127.026 105.748 123.704 -6.00638 -118.39 -120.804 PRESSAVG: 734200 -52.6471 -18.788 -8.08273 -18.788 71.1085 -15.2293 -8.08286 -15.2293 -6.57354 GPRESSAVG: 734200 -53.3645 -17.9829 -8.19136 -15.7456 71.9335 -14.1137 -6.76395 -15.0728 -6.8769 TIMING: 734200 CPU: 2315.32, 0.00316734/step Wall: 2315.32, 0.00316734/step, 3.75312 hours remaining, 237.246094 MB of memory in use. ENERGY: 734200 4103.1027 20756.1214 14470.4007 243.3599 -202975.2852 2385.6555 0.0000 0.0000 52166.9986 -108849.6464 299.8045 -161016.6450 -108493.2605 300.6909 8.5720 26.9101 761198.4304 3.9626 3.8974 PRESSURE: 734400 -10.0039 24.1728 52.8882 24.1729 59.181 -109.331 52.8886 -109.331 90.5117 GPRESSURE: 734400 -26.8564 22.9814 42.6113 57.6274 150.993 -157.074 -64.1326 66.5618 95.3652 PRESSAVG: 734400 -85.6943 -37.1944 34.398 -37.1945 69.3093 21.8596 34.3979 21.8597 7.74358 GPRESSAVG: 734400 -84.6794 -38.6127 33.944 -38.8275 68.1168 21.3312 34.7417 21.9505 7.80703 TIMING: 734400 CPU: 2315.95, 0.00315933/step Wall: 2315.95, 0.00315932/step, 3.74345 hours remaining, 237.246094 MB of memory in use. ENERGY: 734400 4059.8158 20696.4060 14504.0323 247.5119 -203098.6998 2536.5139 0.0000 0.0000 52014.4530 -109039.9667 298.9278 -161054.4197 -108684.3928 300.2780 46.5629 73.1674 762107.2046 -2.8805 -2.9185 PRESSURE: 734600 -238.254 -48.1193 159.407 -48.1197 426.012 17.5136 159.407 17.5134 474.739 GPRESSURE: 734600 -145.779 -111.615 169.827 51.2419 331.776 -3.02892 80.1595 -116.009 569.703 PRESSAVG: 734600 -33.4203 -10.2031 27.9148 -10.2031 61.2212 4.86026 27.9148 4.86023 16.8716 GPRESSAVG: 734600 -34.0528 -7.47429 29.2613 -12.1179 61.4822 3.82692 25.9537 7.53671 17.0388 TIMING: 734600 CPU: 2316.59, 0.00318327/step Wall: 2316.59, 0.00318327/step, 3.77164 hours remaining, 237.246094 MB of memory in use. ENERGY: 734600 3900.3379 20494.5137 14602.2839 233.4804 -203311.0146 2622.1021 0.0000 0.0000 52274.2832 -109184.0132 300.4210 -161458.2964 -108819.9582 299.9224 220.8324 251.8997 761269.2753 14.8908 14.8227 PRESSURE: 734800 -81.7868 191.634 -41.8099 191.634 -43.2943 -50.4005 -41.8095 -50.4 148.263 GPRESSURE: 734800 20.9321 247.783 -37.7582 38.1197 -38.4986 -28.384 9.62981 -58.0035 138.164 PRESSAVG: 734800 -88.738 6.21912 23.9489 6.21909 59.5547 37.673 23.9489 37.673 12.9636 GPRESSAVG: 734800 -89.178 4.73138 22.2588 7.92686 59.4014 38.6458 25.6054 33.9543 13.7475 TIMING: 734800 CPU: 2317.22, 0.00317013/step Wall: 2317.22, 0.00317013/step, 3.7559 hours remaining, 237.246094 MB of memory in use. ENERGY: 734800 4004.8347 20464.1233 14557.8867 251.0303 -202506.1843 2274.0002 0.0000 0.0000 51744.6276 -109209.6814 297.3771 -160954.3091 -108858.8681 299.2443 7.7272 40.1993 761531.6754 -5.4066 -5.3430 PRESSURE: 735000 -280.383 -161.297 113.445 -161.296 -167.56 108.155 113.445 108.155 162.409 GPRESSURE: 735000 -192.541 -192.228 96.2922 -63.9888 -94.7043 -21.7402 76.1105 126.957 66.5526 PRESSAVG: 735000 -26.9434 -42.0545 -15.8712 -42.0545 44.9739 22.4344 -15.8712 22.4344 -12.258 GPRESSAVG: 735000 -26.8929 -43.687 -16.8875 -40.1041 46.2393 24.2278 -15.1046 23.1917 -13.7205 TIMING: 735000 CPU: 2317.85, 0.00315953/step Wall: 2317.85, 0.00315953/step, 3.74317 hours remaining, 237.246094 MB of memory in use. ENERGY: 735000 4004.9580 20450.1158 14565.6505 247.7909 -203011.5256 2422.7169 0.0000 0.0000 52061.4149 -109258.8785 299.1977 -161320.2934 -108905.9263 298.9697 -95.1779 -73.5643 760603.4636 1.9242 1.8753 PRESSURE: 735200 281.56 264.554 155.955 264.554 -3.75059 160.329 155.954 160.328 -411.054 GPRESSURE: 735200 303.798 117.913 117.287 128.252 50.851 64.3391 198.762 222.887 -388.213 PRESSAVG: 735200 -8.60832 -18.5069 13.2794 -18.507 23.6456 9.16271 13.2795 9.16274 13.9397 GPRESSAVG: 735200 -7.27279 -17.3568 15.3936 -23.0399 22.7414 8.46664 11.3957 9.07936 13.5271 TIMING: 735200 CPU: 2318.48, 0.00316006/step Wall: 2318.48, 0.00316006/step, 3.74361 hours remaining, 237.246094 MB of memory in use. ENERGY: 735200 3877.5044 20590.2971 14526.2722 229.7917 -202625.4373 2238.6437 0.0000 0.0000 52103.9392 -109058.9891 299.4421 -161162.9283 -108685.8734 299.8206 -44.4148 -11.1882 762237.2097 9.6590 9.6653 PRESSURE: 735400 -197.107 -248.253 -103.935 -248.253 -186.126 -164.725 -103.934 -164.725 32.5433 GPRESSURE: 735400 -134.195 -237.617 -78.4973 -54.067 -36.2773 -299.364 -178.831 -118.729 -89.8752 PRESSAVG: 735400 17.3858 -52.1891 1.78995 -52.1891 -33.6063 -30.3701 1.78998 -30.3701 -4.95473 GPRESSAVG: 735400 16.2807 -52.46 0.225802 -47.6313 -32.6437 -30.662 3.01488 -28.7544 -4.73648 TIMING: 735400 CPU: 2319.11, 0.00314997/step Wall: 2319.11, 0.00314997/step, 3.73149 hours remaining, 237.246094 MB of memory in use. ENERGY: 735400 4040.7329 20535.4528 14508.4158 240.8020 -202658.6656 2074.4683 0.0000 0.0000 52138.4954 -109120.2983 299.6406 -161258.7937 -108768.0411 299.5370 -116.8966 -86.7826 762436.2612 -7.0584 -7.0332 PRESSURE: 735600 -326.31 -129.055 -60.1554 -129.056 -63.4899 -77.7572 -60.1557 -77.7574 67.226 GPRESSURE: 735600 -199.392 -81.5269 -20.039 38.8472 4.94144 -75.0048 -119.976 19.4779 -25.4532 PRESSAVG: 735600 32.953 13.7894 15.5778 13.7894 7.76718 54.9163 15.5778 54.9163 6.81502 GPRESSAVG: 735600 33.6425 15.564 17.9621 11.9463 6.99097 56.2998 14.1608 52.8264 7.02084 TIMING: 735600 CPU: 2319.75, 0.00315606/step Wall: 2319.75, 0.00315606/step, 3.73853 hours remaining, 237.246094 MB of memory in use. ENERGY: 735600 3976.9742 20493.7018 14579.9316 251.0007 -203198.0790 2461.9131 0.0000 0.0000 52235.7713 -109198.7863 300.1997 -161434.5576 -108836.9365 299.4606 -107.5247 -73.3013 760830.3325 15.8451 15.8848 PRESSURE: 735800 459.434 -34.0098 7.63283 -34.0092 -204.609 50.0135 7.63238 50.0138 306.484 GPRESSURE: 735800 475.553 -1.2063 -25.0383 -26.8027 -201.82 85.2381 104.789 76.1798 367.594 PRESSAVG: 735800 33.5504 -3.77867 8.86868 -3.77874 -72.8394 47.0001 8.8687 47 -4.60341 GPRESSAVG: 735800 33.7373 -3.38916 4.73896 -3.68093 -72.9001 46.2712 12.3944 47.5878 -4.50499 TIMING: 735800 CPU: 2320.38, 0.00318914/step Wall: 2320.38, 0.00318914/step, 3.77754 hours remaining, 237.246094 MB of memory in use. ENERGY: 735800 3966.4301 20439.8385 14504.9820 236.1068 -202927.7108 2537.6028 0.0000 0.0000 51941.9427 -109300.8079 298.5111 -161242.7506 -108939.8766 299.1051 187.1031 213.7758 760762.7422 -14.6308 -14.5559 PRESSURE: 736000 -39.51 28.7009 -68.8767 28.701 -58.4637 66.4182 -68.8771 66.4172 17.4755 GPRESSURE: 736000 6.87796 98.7362 -13.8531 -46.4656 14.8278 -43.0622 -155.878 4.49534 -19.1468 PRESSAVG: 736000 -11.5099 -18.8427 -24.8858 -18.8427 9.43265 51.9364 -24.8859 51.9364 9.97564 GPRESSAVG: 736000 -12.1443 -18.6373 -21.0216 -19.2926 9.57131 49.9761 -26.9405 53.906 10.1836 TIMING: 736000 CPU: 2321.02, 0.0031948/step Wall: 2321.02, 0.0031948/step, 3.78406 hours remaining, 237.246094 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: 736000 3948.0187 20539.4769 14501.0237 233.7271 -203486.6044 2643.6906 0.0000 0.0000 52146.1123 -109474.5553 299.6844 -161620.6675 -109111.7219 299.3695 -26.8327 0.8530 761238.2922 2.6328 2.5369 PRESSURE: 736200 145.703 93.0257 -207.901 93.0247 -131.202 -80.6697 -207.901 -80.6703 16.878 GPRESSURE: 736200 153.391 -44.6375 -151.974 -18.512 -25.8992 -75.3757 -271.826 -74.7936 -2.63112 PRESSAVG: 736200 36.5299 -10.9424 -23.2206 -10.9424 -8.28769 35.3128 -23.2205 35.3128 -3.65212 GPRESSAVG: 736200 36.5748 -13.1558 -25.6852 -10.4128 -8.39811 34.9288 -23.4812 34.3896 -4.01751 TIMING: 736200 CPU: 2321.66, 0.00317905/step Wall: 2321.66, 0.00317905/step, 3.76524 hours remaining, 237.246094 MB of memory in use. ENERGY: 736200 4021.2151 20428.3327 14540.1694 257.9168 -203376.8844 2810.0635 0.0000 0.0000 51874.6402 -109444.5467 298.1243 -161319.1870 -109091.7648 298.8950 10.4599 41.6201 761062.7122 8.1967 8.0531 LDB: ============= START OF LOAD BALANCING ============== 2334.12 LDB: ============== END OF LOAD BALANCING =============== 2334.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2334.12 LDB: ============= START OF LOAD BALANCING ============== 2334.44 LDB: Largest compute 7065 load 0.035431 is 18.2% of average load 0.195020 LDB: Average compute 0.004405 is 2.3% of average load 0.195020 LDB: TIME 2334.44 LOAD: AVG 0.19502 MAX 0.211918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.242 MB LDB: TIME 2334.44 LOAD: AVG 0.19502 MAX 0.211918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.242 MB LDB: TIME 2334.44 LOAD: AVG 0.19502 MAX 0.211918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.242 MB LDB: ============== END OF LOAD BALANCING =============== 2334.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2334.45 PRESSURE: 736400 -116.855 13.8116 104.12 13.8111 37.0396 10.3659 104.119 10.3664 -245.973 GPRESSURE: 736400 -15.2204 -10.6196 94.5025 -3.56138 66.4123 -52.3645 -90.0364 -46.222 -294.028 PRESSAVG: 736400 36.7851 13.9049 -59.0508 13.9049 -28.9434 33.1608 -59.0508 33.1608 -21.2347 GPRESSAVG: 736400 37.3889 13.576 -57.619 12.9217 -29.1657 33.4831 -59.6756 33.0696 -21.4505 TIMING: 736400 CPU: 2322.31, 0.00325953/step Wall: 2322.31, 0.00325953/step, 3.86037 hours remaining, 236.472656 MB of memory in use. ENERGY: 736400 3984.0660 20347.0080 14565.6867 254.9489 -203047.3186 2418.6148 0.0000 0.0000 52082.7351 -109394.2591 299.3202 -161476.9942 -109040.8557 298.8379 -108.5962 -80.9455 761455.7816 -4.4643 -4.4091 PRESSURE: 736600 79.8264 110.654 -67.4618 110.654 -221.199 114.034 -67.4612 114.033 96.1339 GPRESSURE: 736600 116.075 101.81 -121.953 172.997 -151.073 29.2229 -87.7079 117.321 72.3334 PRESSAVG: 736600 16.541 -7.68656 19.4448 -7.6865 -23.4986 -5.45137 19.4448 -5.45132 -16.1935 GPRESSAVG: 736600 16.1833 -6.42152 17.7014 -7.06904 -23.7544 -5.02808 20.8143 -6.81101 -16.7304 TIMING: 736600 CPU: 2322.94, 0.00316519/step Wall: 2322.94, 0.00316519/step, 3.74847 hours remaining, 236.472656 MB of memory in use. ENERGY: 736600 3953.0672 20522.0638 14523.5993 251.8576 -203407.2445 2649.7678 0.0000 0.0000 51919.2292 -109587.6595 298.3805 -161506.8887 -109226.4252 298.8265 -15.0796 12.4452 760680.0530 -7.7170 -8.1005 PRESSURE: 736800 -118.361 11.3885 -42.6318 11.389 52.838 161.648 -42.6324 161.648 -425.708 GPRESSURE: 736800 -108.165 -85.6803 -162.936 -121.433 140.096 127.017 78.4113 111.642 -432.877 PRESSAVG: 736800 44.2306 -1.72185 -50.8467 -1.72177 14.9504 17.3903 -50.8467 17.3903 2.12893 GPRESSAVG: 736800 44.4314 -2.3826 -51.0397 -1.7055 13.7886 17.4511 -50.6241 17.4734 3.07271 TIMING: 736800 CPU: 2323.57, 0.0031548/step Wall: 2323.57, 0.0031548/step, 3.73599 hours remaining, 236.472656 MB of memory in use. ENERGY: 736800 4025.9343 20345.8318 14520.5905 233.2497 -202806.9855 2159.7847 0.0000 0.0000 52076.8742 -109444.7204 299.2865 -161521.5947 -109082.8841 299.0284 -163.7437 -133.6485 761347.1452 20.4366 20.4309 PRESSURE: 737000 82.7253 -69.6647 92.8548 -69.6651 225.871 107.516 92.8546 107.517 60.4115 GPRESSURE: 737000 98.1057 -50.1778 137.155 23.9068 241.816 224.171 196.807 5.10111 130.118 PRESSAVG: 737000 21.9634 -21.6349 -7.62115 -21.6348 -31.0158 65.31 -7.62107 65.3099 1.94576 GPRESSAVG: 737000 20.6011 -21.6385 -7.83146 -22.9223 -29.6167 66.3329 -6.57328 65.5296 2.43583 TIMING: 737000 CPU: 2324.21, 0.00316522/step Wall: 2324.21, 0.00316522/step, 3.74814 hours remaining, 236.472656 MB of memory in use. ENERGY: 737000 3975.7027 20477.8404 14616.3511 237.8127 -203308.8822 2481.3527 0.0000 0.0000 52012.3221 -109507.5004 298.9155 -161519.8225 -109142.8295 298.2469 123.0025 156.6796 761291.6176 -2.3689 -2.1932 PRESSURE: 737200 -144.18 -23.5841 6.61883 -23.5849 237.302 383.907 6.61801 383.907 -49.2723 GPRESSURE: 737200 -55.2665 -144.03 52.3916 11.316 190.183 435.024 -87.826 254.131 5.55584 PRESSAVG: 737200 8.47629 -3.58285 15.737 -3.58273 16.1787 46.1309 15.7371 46.131 13.5447 GPRESSAVG: 737200 9.29242 -5.29607 15.8994 -2.56875 15.6752 44.9086 15.0539 46.2744 13.3542 TIMING: 737200 CPU: 2324.84, 0.00316997/step Wall: 2324.84, 0.00316997/step, 3.75359 hours remaining, 236.472656 MB of memory in use. ENERGY: 737200 3973.5860 20481.8372 14546.4566 269.8524 -203402.5267 2397.9450 0.0000 0.0000 52028.5906 -109704.2590 299.0090 -161732.8496 -109341.6798 298.7805 14.6165 46.8241 759518.5378 12.7332 12.7739 PRESSURE: 737400 -82.4927 18.0019 -98.5197 18.0015 -284.359 41.3816 -98.5193 41.3818 169.874 GPRESSURE: 737400 -41.6442 89.9811 -109.351 -57.9736 -204.229 12.5837 -125.471 83.7622 109.167 PRESSAVG: 737400 17.201 16.2071 6.81551 16.2071 8.23179 17.9597 6.81551 17.9598 5.99198 GPRESSAVG: 737400 17.342 17.9949 7.27941 14.542 8.40013 19.748 8.33636 20.2027 5.04145 TIMING: 737400 CPU: 2325.47, 0.0031651/step Wall: 2325.47, 0.0031651/step, 3.74766 hours remaining, 236.472656 MB of memory in use. ENERGY: 737400 4006.9909 20476.6994 14508.6306 236.5223 -203245.9031 2462.1006 0.0000 0.0000 52093.7584 -109461.2009 299.3835 -161554.9593 -109097.7541 298.7659 -65.6591 -45.5690 759196.1444 10.4749 10.2612 PRESSURE: 737600 70.8021 109.803 -41.981 109.803 317.591 -94.9725 -41.9805 -94.9723 133.321 GPRESSURE: 737600 158.902 83.3744 27.8257 36.7888 380.553 -99.631 -29.5943 -230.085 74.088 PRESSAVG: 737600 29.809 -6.68891 -74.1635 -6.68892 -19.0217 28.1867 -74.1636 28.1866 5.70542 GPRESSAVG: 737600 30.2712 -8.71301 -74.9364 -5.30642 -18.6359 26.9011 -74.8102 26.2334 5.0996 TIMING: 737600 CPU: 2326.11, 0.00316468/step Wall: 2326.11, 0.00316468/step, 3.74698 hours remaining, 236.472656 MB of memory in use. ENERGY: 737600 3893.7685 20651.3473 14521.5153 255.2084 -203371.3012 2570.8372 0.0000 0.0000 51981.9996 -109496.6249 298.7413 -161478.6245 -109137.0768 299.4237 173.9048 204.5144 759452.8177 5.4976 5.5783 PRESSURE: 737800 -246.109 -126 80.9944 -126 148.596 130.538 80.9952 130.538 -238.594 GPRESSURE: 737800 -145.397 -188.202 65.3609 -149.091 86.1224 27.7276 13.7441 140.191 -211.337 PRESSAVG: 737800 42.7562 -83.1817 -28.5229 -83.1817 -29.8965 72.2747 -28.5228 72.2748 22.2754 GPRESSAVG: 737800 42.3261 -81.4572 -28.3638 -83.5157 -31.0182 72.6364 -28.4173 72.5409 23.3707 TIMING: 737800 CPU: 2326.74, 0.00317317/step Wall: 2326.74, 0.00317317/step, 3.75685 hours remaining, 236.472656 MB of memory in use. ENERGY: 737800 3973.9036 20520.4060 14564.9317 237.8273 -202812.1160 1988.7581 0.0000 0.0000 52054.6656 -109471.6238 299.1589 -161526.2894 -109101.3266 299.0345 -112.0356 -90.2037 760241.7043 11.7117 11.5595 PRESSURE: 738000 -210.791 -53.7538 42.4037 -53.7541 -73.9683 -117.761 42.4031 -117.759 275.894 GPRESSURE: 738000 -218.641 47.6779 81.8588 -19.7904 40.0745 -1.73224 87.7864 -121.787 246.304 PRESSAVG: 738000 -13.372 -15.1221 7.86168 -15.1221 8.99766 30.3134 7.86164 30.3134 10.4744 GPRESSAVG: 738000 -13.6831 -16.9566 7.89175 -11.8122 9.34663 32.0814 6.98997 30.084 11.2462 TIMING: 738000 CPU: 2327.38, 0.00317956/step Wall: 2327.38, 0.00317956/step, 3.76425 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: 738000 4031.8747 20562.5949 14538.5533 243.1890 -203343.0786 2474.6789 0.0000 0.0000 51898.9560 -109593.2317 298.2640 -161492.1877 -109223.1958 299.0958 -2.9551 22.5791 761451.9916 2.0333 2.3032 PRESSURE: 738200 26.2962 -171.346 -102.611 -171.346 21.9993 59.6824 -102.611 59.6811 -126.031 GPRESSURE: 738200 31.9809 -170.084 -92.273 -111.223 107.438 -2.3496 -16.6865 9.64099 -118.967 PRESSAVG: 738200 56.1907 5.86954 -26.709 5.86956 43.7554 14.3212 -26.709 14.3211 -6.89361 GPRESSAVG: 738200 55.0659 8.38811 -24.8392 3.48769 44.8259 12.9141 -24.8734 15.3732 -6.77682 TIMING: 738200 CPU: 2328.01, 0.00316992/step Wall: 2328.01, 0.00316992/step, 3.75266 hours remaining, 236.472656 MB of memory in use. ENERGY: 738200 4031.8078 20519.0954 14534.7656 251.8075 -203253.7214 2320.3634 0.0000 0.0000 51985.7945 -109610.0873 298.7631 -161595.8818 -109249.5921 298.6589 -25.9118 6.8172 760227.5227 31.0175 31.0383 PRESSURE: 738400 -344.916 81.0283 138.034 81.0274 415.921 128.91 138.034 128.91 -226.951 GPRESSURE: 738400 -126.225 56.3689 120.204 140.709 199.546 32.2269 -40.0036 153.532 -149.79 PRESSAVG: 738400 -61.932 -19.3908 -10.9807 -19.3908 64.782 41.879 -10.9806 41.879 8.45193 GPRESSAVG: 738400 -59.8677 -20.9255 -13.0704 -20.3482 63.0584 42.9187 -13.489 41.4833 7.81045 TIMING: 738400 CPU: 2328.64, 0.00316401/step Wall: 2328.64, 0.00316401/step, 3.74549 hours remaining, 236.472656 MB of memory in use. ENERGY: 738400 3978.6727 20424.8991 14521.0776 234.6138 -203433.3945 2498.6701 0.0000 0.0000 52166.3522 -109609.1091 299.8007 -161775.4612 -109256.4684 299.1978 -51.9823 -25.4895 761950.0731 3.7673 3.6671 PRESSURE: 738600 180.244 -17.2934 -30.0624 -17.2938 -91.2949 -40.5182 -30.0623 -40.5186 197.158 GPRESSURE: 738600 137.728 -57.259 10.3063 39.273 19.7169 -65.3995 82.7816 -18.9571 223.271 PRESSAVG: 738600 -9.72648 16.4986 36.3284 16.4986 -26.3982 11.5695 36.3284 11.5695 2.37782 GPRESSAVG: 738600 -11.5022 15.6971 37.226 17.0221 -24.6494 10.6755 36.5663 12.2552 2.28768 TIMING: 738600 CPU: 2329.28, 0.00317572/step Wall: 2329.28, 0.00317572/step, 3.75917 hours remaining, 236.472656 MB of memory in use. ENERGY: 738600 4021.6793 20600.2268 14495.5368 249.0037 -203255.5425 2139.6833 0.0000 0.0000 52026.4813 -109722.9313 298.9969 -161749.4127 -109367.9146 297.9235 95.3691 126.9056 760428.4219 -11.2489 -11.2879 PRESSURE: 738800 13.392 -116.147 93.0841 -116.146 84.3501 13.3259 93.0839 13.3271 295.688 GPRESSURE: 738800 105.926 -116.185 58.9688 -173.302 54.6833 128.704 117.861 -27.9691 304.664 PRESSAVG: 738800 11.7607 1.18036 15.6248 1.18039 -61.6694 -15.4135 15.6248 -15.4135 -11.6769 GPRESSAVG: 738800 12.0187 1.26358 15.367 2.03663 -61.8653 -14.4364 16.5342 -14.8588 -12.0645 TIMING: 738800 CPU: 2329.91, 0.00316198/step Wall: 2329.91, 0.00316198/step, 3.74273 hours remaining, 236.472656 MB of memory in use. ENERGY: 738800 3987.8942 20456.5883 14515.2892 233.7861 -203617.5267 2545.0247 0.0000 0.0000 52126.0548 -109752.8894 299.5692 -161878.9442 -109383.6812 298.6269 131.1434 155.0909 759300.9056 -20.5285 -20.6370 PRESSURE: 739000 70.2602 -88.0064 -65.2164 -88.0062 182.798 -160.919 -65.2169 -160.919 70.6223 GPRESSURE: 739000 69.2096 -112.562 -43.9436 -168.407 273.453 -125.892 -114.229 -127.552 55.046 PRESSAVG: 739000 24.3692 -47.7915 36.3169 -47.7915 -29.3094 -18.8416 36.3169 -18.8415 36.9277 GPRESSAVG: 739000 25.7275 -44.4002 34.8907 -49.8575 -30.676 -19.3998 36.2937 -20.1007 36.5738 TIMING: 739000 CPU: 2330.54, 0.00315395/step Wall: 2330.54, 0.00315395/step, 3.73305 hours remaining, 236.472656 MB of memory in use. ENERGY: 739000 3920.7765 20537.1997 14455.2822 236.2636 -203293.2183 2418.1405 0.0000 0.0000 52060.2165 -109665.3393 299.1908 -161725.5557 -109309.4193 298.3790 107.8935 132.5697 760623.1602 10.6625 10.5418 PRESSURE: 739200 5.14983 -103.862 -56.7335 -103.861 40.8716 -133.689 -56.7337 -133.689 558.986 GPRESSURE: 739200 -24.0321 -217.818 -58.2152 28.6403 240.878 -127.892 -152.942 -215.715 455.879 PRESSAVG: 739200 71.5211 2.69304 -35.6027 2.69305 -4.64449 -3.14781 -35.6027 -3.1479 8.09685 GPRESSAVG: 739200 69.9654 1.01582 -33.0663 2.44069 -2.76574 -4.18829 -36.2358 -1.39082 8.40344 TIMING: 739200 CPU: 2331.18, 0.00317676/step Wall: 2331.18, 0.00317676/step, 3.75988 hours remaining, 236.472656 MB of memory in use. ENERGY: 739200 3966.2529 20464.9434 14561.8623 250.5043 -203602.8053 2884.4745 0.0000 0.0000 51738.9098 -109735.8582 297.3442 -161474.7680 -109370.2091 298.6643 201.6693 224.2416 759901.5143 24.9911 25.2010 PRESSURE: 739400 -108.813 4.42256 87.8034 4.42219 -353.366 -62.2387 87.8031 -62.239 173.981 GPRESSURE: 739400 -176.324 95.1422 103.098 -35.0484 -236.223 -9.77677 43.9934 -10.1221 213.669 PRESSAVG: 739400 65.0539 -15.7182 -84.3335 -15.7183 -25.8065 -10.154 -84.3335 -10.154 -3.84564 GPRESSAVG: 739400 65.5367 -17.8338 -86.5313 -13.0454 -26.1107 -8.90094 -82.3144 -11.1593 -4.44441 TIMING: 739400 CPU: 2331.81, 0.00315183/step Wall: 2331.81, 0.00315183/step, 3.73019 hours remaining, 236.472656 MB of memory in use. ENERGY: 739400 3984.8087 20468.0929 14512.0767 251.8663 -203359.3183 2442.5203 0.0000 0.0000 51992.4356 -109707.5179 298.8012 -161699.9535 -109339.6346 298.4773 -96.0663 -66.2927 759662.0004 11.8006 11.6605 PRESSURE: 739600 -339.264 123.86 21.0314 123.859 -191.229 149.63 21.03 149.63 -157.543 GPRESSURE: 739600 -276.935 192.372 -56.4383 50.5326 -156.239 134.567 30.5243 268.115 -148.246 PRESSAVG: 739600 -16.1238 7.17093 35.0414 7.17095 41.8621 35.7251 35.0414 35.7251 -6.53338 GPRESSAVG: 739600 -16.6602 8.6484 34.1972 4.12254 41.7615 35.0328 34.089 37.2189 -5.82486 TIMING: 739600 CPU: 2332.45, 0.0031908/step Wall: 2332.45, 0.0031908/step, 3.77614 hours remaining, 236.472656 MB of memory in use. ENERGY: 739600 4085.6993 20362.2751 14519.9295 263.0535 -203571.2062 2634.0738 0.0000 0.0000 52152.5630 -109553.6120 299.7215 -161706.1750 -109178.7224 298.7084 -229.3455 -193.8067 760594.9781 6.4016 6.4255 PRESSURE: 739800 -55.3522 139.233 360.206 139.233 -168.436 150.121 360.207 150.12 -37.484 GPRESSURE: 739800 -20.8515 83.3349 289.357 156.881 -101.196 128.847 370.232 73.3306 -34.5561 PRESSAVG: 739800 -8.10698 11.2126 12.3575 11.2125 5.41544 4.31367 12.3575 4.31363 -0.265508 GPRESSAVG: 739800 -7.75208 9.68104 15.0724 12.3001 5.61379 6.50892 10.9132 0.932566 -0.417175 TIMING: 739800 CPU: 2333.08, 0.00318823/step Wall: 2333.08, 0.00318823/step, 3.77292 hours remaining, 236.472656 MB of memory in use. ENERGY: 739800 3982.2034 20484.9277 14552.7326 233.7191 -203384.5644 2568.1325 0.0000 0.0000 52086.0462 -109476.8029 299.3392 -161562.8491 -109107.9621 298.9558 -87.0908 -52.2011 760220.4419 -0.9857 -0.8518 PRESSURE: 740000 72.6443 72.9006 101.011 72.9007 208.625 -81.071 101.011 -81.0709 -79.3551 GPRESSURE: 740000 107.372 56.5276 158.39 167.043 191.138 -89.7385 144.619 89.2645 -11.8657 PRESSAVG: 740000 -8.30758 30.6707 -26.1189 30.6707 28.0873 11.2017 -26.1189 11.2018 -15.1464 GPRESSAVG: 740000 -7.47824 33.8225 -27.7361 30.3987 27.9893 8.55489 -23.385 13.0855 -15.8327 TIMING: 740000 CPU: 2333.72, 0.00316973/step Wall: 2333.72, 0.00316973/step, 3.75085 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: 740000 4001.2055 20641.6755 14449.5002 230.5026 -203849.6159 2870.9899 0.0000 0.0000 52150.9357 -109504.8065 299.7121 -161655.7422 -109147.5371 298.8594 67.3046 95.5479 760590.9220 1.5445 1.5595 PRESSURE: 740200 -135.921 61.6265 6.40645 61.6262 8.01207 -98.8392 6.40579 -98.8384 -372.822 GPRESSURE: 740200 -150.826 62.518 11.2232 91.1031 115.078 -174.697 -24.0982 -106.315 -391.592 PRESSAVG: 740200 -7.76696 32.9504 -10.7345 32.9505 38.7918 -37.3619 -10.7344 -37.362 -1.55858 GPRESSAVG: 740200 -9.28308 31.9664 -11.5895 31.7476 40.1558 -35.6632 -10.669 -37.091 -1.79189 TIMING: 740200 CPU: 2334.36, 0.00318733/step Wall: 2334.36, 0.00318733/step, 3.77149 hours remaining, 236.472656 MB of memory in use. ENERGY: 740200 4052.2969 20610.2505 14499.8911 238.3729 -203666.6781 2580.7146 0.0000 0.0000 52140.9212 -109544.2311 299.6546 -161685.1523 -109185.0917 298.7566 -166.9103 -142.4468 760945.6161 9.8221 9.6936 LDB: ============= START OF LOAD BALANCING ============== 2346.81 LDB: ============== END OF LOAD BALANCING =============== 2346.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2346.81 LDB: ============= START OF LOAD BALANCING ============== 2347.13 LDB: Largest compute 7025 load 0.035656 is 18.3% of average load 0.194966 LDB: Average compute 0.004408 is 2.3% of average load 0.194966 LDB: TIME 2347.13 LOAD: AVG 0.194966 MAX 0.214131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.754 MB LDB: TIME 2347.13 LOAD: AVG 0.194966 MAX 0.214131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: TIME 2347.13 LOAD: AVG 0.194966 MAX 0.214131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.957 MB LDB: ============== END OF LOAD BALANCING =============== 2347.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2347.14 PRESSURE: 740400 -122.135 -140.524 -144.189 -140.524 -55.8463 181.019 -144.188 181.019 -78.0376 GPRESSURE: 740400 -114.978 -66.973 -133.544 -115.715 -50.1486 226.306 -15.5285 238.919 10.5498 PRESSAVG: 740400 -16.2532 -22.5616 -28.7383 -22.5616 20.965 1.49305 -28.7383 1.49309 -9.49938 GPRESSAVG: 740400 -15.3915 -22.8022 -27.8806 -22.8478 21.2729 0.813514 -28.7727 1.76312 -10.0467 TIMING: 740400 CPU: 2335, 0.00322937/step Wall: 2335, 0.00322937/step, 3.82106 hours remaining, 237.242188 MB of memory in use. ENERGY: 740400 3972.9623 20753.0269 14491.6056 268.9196 -203251.9678 2510.9974 0.0000 0.0000 51899.0442 -109355.4118 298.2645 -161254.4560 -108996.7840 299.3953 -85.3395 -51.5257 760778.6425 -1.5958 -1.3885 PRESSURE: 740600 -30.1924 -321.48 -26.3778 -321.48 -230.435 -33.2615 -26.3782 -33.2606 -428.275 GPRESSURE: 740600 22.7145 -279.557 -82.6794 -225.847 -179.459 20.1125 -88.1648 -201.298 -425.697 PRESSAVG: 740600 -6.19149 -37.215 -54.06 -37.215 49.9411 -5.27548 -54.06 -5.27534 3.24334 GPRESSAVG: 740600 -5.78796 -35.006 -54.838 -38.5082 48.6525 -4.10201 -55.4986 -7.0155 4.31669 TIMING: 740600 CPU: 2335.64, 0.00318879/step Wall: 2335.64, 0.00318879/step, 3.77287 hours remaining, 237.445312 MB of memory in use. ENERGY: 740600 4043.4379 20331.2189 14543.4603 244.7879 -203418.8372 2573.8390 0.0000 0.0000 52068.3695 -109613.7236 299.2376 -161682.0931 -109256.8805 298.8437 -229.6343 -194.1472 762426.1246 15.6643 15.7271 PRESSURE: 740800 -107.234 -146.931 106.558 -146.931 51.2517 19.39 106.558 19.3901 542.697 GPRESSURE: 740800 -68.2428 -97.7767 16.743 -239.438 107.334 2.18366 165.546 135.005 533.414 PRESSAVG: 740800 -13.4853 -27.9691 10.722 -27.969 38.5319 -5.35984 10.722 -5.35989 11.9957 GPRESSAVG: 740800 -13.4003 -31.0871 11.0493 -25.1196 38.468 -7.51495 8.97309 -4.82927 12.1103 TIMING: 740800 CPU: 2336.27, 0.00317777/step Wall: 2336.27, 0.00317777/step, 3.75965 hours remaining, 237.445312 MB of memory in use. ENERGY: 740800 4050.1959 20468.0713 14546.8362 269.6938 -203682.7669 2793.8825 0.0000 0.0000 52069.2307 -109484.8564 299.2426 -161554.0871 -109119.9860 298.4577 162.2380 190.8350 761744.9373 12.3475 12.3926 PRESSURE: 741000 81.5137 111.64 112.855 111.64 282.932 -5.72574 112.854 -5.72542 232.897 GPRESSURE: 741000 -1.68733 76.6116 183.885 115.972 356.715 65.6105 132.157 98.5407 310.205 PRESSAVG: 741000 -73.1356 44.6184 -24.5563 44.6184 68.0084 17.2473 -24.5563 17.2473 -10.1894 GPRESSAVG: 741000 -73.8916 45.3326 -23.2229 46.6087 68.4737 18.8517 -23.9995 17.3707 -9.96135 TIMING: 741000 CPU: 2336.92, 0.0032167/step Wall: 2336.92, 0.00321671/step, 3.80554 hours remaining, 237.445312 MB of memory in use. ENERGY: 741000 3967.1079 20609.4515 14577.7466 254.5195 -203457.3452 2524.1925 0.0000 0.0000 52068.9632 -109455.3639 299.2410 -161524.3271 -109088.6451 299.1629 199.1143 221.7444 761092.4414 -5.1055 -5.1264 PRESSURE: 741200 -130.594 70.5323 -61.157 70.5309 -160.163 57.9357 -61.1575 57.9342 -218.724 GPRESSURE: 741200 -162.298 152.868 27.8659 22.962 -64.5248 72.7874 -163.245 14.7916 -203.55 PRESSAVG: 741200 -49.7553 24.3741 54.2715 24.3741 45.9134 29.0615 54.2715 29.0615 -25.5736 GPRESSAVG: 741200 -49.0432 23.6502 54.8424 23.0399 45.5739 27.7681 51.8062 29.2903 -26.1871 TIMING: 741200 CPU: 2337.56, 0.00319146/step Wall: 2337.56, 0.00319146/step, 3.7755 hours remaining, 237.445312 MB of memory in use. ENERGY: 741200 4017.8831 20532.5791 14511.2083 243.8653 -203804.9462 2593.4911 0.0000 0.0000 52229.0134 -109676.9058 300.1609 -161905.9192 -109315.4016 298.8943 -169.8271 -143.4576 762921.8355 -9.8052 -9.8854 PRESSURE: 741400 125.779 -56.926 140.682 -56.9256 49.3893 -120.022 140.682 -120.021 343.848 GPRESSURE: 741400 116.874 -4.14354 138.735 -20.0302 -30.7188 -122.643 195.92 -160.061 507.409 PRESSAVG: 741400 -36.087 -0.142098 47.939 -0.142145 23.3385 -4.88485 47.9389 -4.88481 22.5244 GPRESSAVG: 741400 -36.3847 0.21263 47.8707 -2.09305 23.1288 -3.25501 50.9084 -7.55711 22.3942 TIMING: 741400 CPU: 2338.2, 0.00320763/step Wall: 2338.2, 0.00320763/step, 3.79445 hours remaining, 237.445312 MB of memory in use. ENERGY: 741400 3976.6457 20357.9357 14504.5214 243.5920 -203500.9592 2665.8294 0.0000 0.0000 51994.1266 -109758.3084 298.8110 -161752.4350 -109396.0930 298.5165 173.0053 197.8546 761168.2081 3.2586 3.0461 PRESSURE: 741600 -237.396 -107.572 18.365 -107.573 -209.107 39.5174 18.365 39.5175 -410.188 GPRESSURE: 741600 -241.187 57.9515 24.7722 -91.9019 -198.023 21.4332 30.2608 -81.6088 -331.654 PRESSAVG: 741600 55.0005 -9.86758 20.5102 -9.86762 -55.8261 -21.0534 20.5102 -21.0534 -34.5872 GPRESSAVG: 741600 54.3637 -8.55078 19.1702 -6.71721 -56.4532 -22.4451 20.5439 -17.0303 -33.3779 TIMING: 741600 CPU: 2338.83, 0.00318419/step Wall: 2338.83, 0.00318419/step, 3.76654 hours remaining, 237.445312 MB of memory in use. ENERGY: 741600 4035.0446 20626.5165 14545.2301 226.9106 -203500.3364 2405.7563 0.0000 0.0000 52004.8592 -109656.0191 298.8726 -161660.8783 -109295.9668 298.6926 -285.5636 -256.9546 762129.7279 -11.8043 -11.8225 PRESSURE: 741800 -484.094 33.0472 21.0566 33.0472 -392.081 -23.2828 21.0572 -23.2822 -264.155 GPRESSURE: 741800 -535.875 65.5034 89.831 -8.39941 -274.528 -27.3743 66.0133 106.704 -261.673 PRESSAVG: 741800 -67.1412 19.1969 -18.1286 19.1968 27.9793 -2.13933 -18.1286 -2.13935 -11.4872 GPRESSAVG: 741800 -67.8978 16.9976 -18.1576 19.2702 29.1873 -1.48359 -17.8996 -5.48304 -11.8613 TIMING: 741800 CPU: 2339.47, 0.00316399/step Wall: 2339.47, 0.00316399/step, 3.74248 hours remaining, 237.445312 MB of memory in use. ENERGY: 741800 4020.4586 20587.6484 14469.6789 256.8363 -203192.9733 2409.0633 0.0000 0.0000 51665.1470 -109784.1407 296.9203 -161449.2877 -109426.3459 298.3305 -380.1102 -357.3587 762125.9839 -16.8830 -16.8573 PRESSURE: 742000 -131.467 -181.547 52.4772 -181.548 -88.4892 -129.253 52.4769 -129.254 88.2719 GPRESSURE: 742000 5.91716 -94.8194 32.3121 -218.552 -183.057 -139.976 11.1734 -216.384 129.769 PRESSAVG: 742000 -23.7946 15.7901 26.5745 15.7901 42.5936 -22.1401 26.5745 -22.14 7.03153 GPRESSAVG: 742000 -23.1333 16.1454 27.4098 14.9696 41.9764 -21.275 25.0507 -21.6125 7.05698 TIMING: 742000 CPU: 2340.1, 0.00315573/step Wall: 2340.1, 0.00315573/step, 3.73253 hours remaining, 237.445312 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: 742000 4021.4410 20501.0328 14520.8918 248.9112 -203839.2202 2697.2008 0.0000 0.0000 52007.7994 -109841.9432 298.8895 -161849.7426 -109486.0113 298.2316 -43.8948 -15.7903 760547.4246 8.6102 8.6334 PRESSURE: 742200 -269.55 147.681 246.679 147.682 -376.106 -20.0811 246.678 -20.081 -257.348 GPRESSURE: 742200 -354.645 126.571 192.973 184.173 -283.841 -9.88598 345.19 -77.4204 -183.009 PRESSAVG: 742200 8.408 12.299 -15.9839 12.2991 -8.5932 25.8889 -15.9838 25.889 -1.51267 GPRESSAVG: 742200 8.34176 12.2076 -17.0026 12.0925 -7.77546 24.5724 -13.6902 27.1442 -1.96356 TIMING: 742200 CPU: 2340.73, 0.00316139/step Wall: 2340.73, 0.00316139/step, 3.73904 hours remaining, 237.445312 MB of memory in use. ENERGY: 742200 4037.2300 20650.5756 14411.5311 265.4237 -203615.5312 2559.2935 0.0000 0.0000 51866.2737 -109825.2036 298.0762 -161691.4773 -109465.6754 298.4299 -301.0015 -273.8315 760738.5766 -0.5660 -0.4658 PRESSURE: 742400 -557.054 -44.9095 -141.239 -44.9092 -294.234 -49.4626 -141.239 -49.4624 -156.859 GPRESSURE: 742400 -464.162 -10.7366 -71.544 -38.7751 -223.813 6.95035 -154.275 -16.9774 -228.645 PRESSAVG: 742400 -53.1081 35.1151 10.8081 35.1151 21.8949 -9.34037 10.8082 -9.34043 -17.7307 GPRESSAVG: 742400 -51.9255 36.1322 9.69165 35.0572 21.5395 -9.54198 10.6426 -9.44914 -18.9375 TIMING: 742400 CPU: 2341.37, 0.00316969/step Wall: 2341.37, 0.00316969/step, 3.74869 hours remaining, 237.445312 MB of memory in use. ENERGY: 742400 4037.6609 20493.5379 14383.1254 252.5489 -203289.0746 2378.1973 0.0000 0.0000 52050.0692 -109693.9351 299.1325 -161744.0043 -109337.4845 298.4556 -336.0490 -305.5399 760630.8636 -16.3146 -16.4412 PRESSURE: 742600 -40.049 -96.6979 81.4236 -96.6979 13.7147 -51.4599 81.423 -51.4591 -291.756 GPRESSURE: 742600 34.6866 -51.3674 105.456 -157.974 47.2933 24.8808 91.9201 -95.9314 -284.974 PRESSAVG: 742600 -7.06555 18.4899 -0.619271 18.49 48.8771 -28.521 -0.619287 -28.5211 16.852 GPRESSAVG: 742600 -8.67083 18.4707 1.36184 18.0507 49.7961 -25.051 -0.678824 -29.642 17.7616 TIMING: 742600 CPU: 2342, 0.00315601/step Wall: 2342, 0.00315601/step, 3.73233 hours remaining, 237.445312 MB of memory in use. ENERGY: 742600 4001.8119 20456.0357 14432.1595 231.0332 -202998.4024 2393.6734 0.0000 0.0000 51747.8501 -109735.8386 297.3956 -161483.6886 -109371.8904 298.7700 -106.0302 -67.6647 759834.0137 19.5545 19.6289 PRESSURE: 742800 -376.557 92.0828 267.682 92.0828 22.1291 252.646 267.682 252.647 -42.4663 GPRESSURE: 742800 -339.201 131.382 216.009 149.742 91.4711 166.647 261.796 85.9942 -64.5206 PRESSAVG: 742800 -3.36996 74.4554 46.6518 74.4555 7.95337 31.3165 46.6517 31.3164 3.0464 GPRESSAVG: 742800 -2.44496 74.4466 46.5257 73.605 6.91125 29.9916 47.3543 29.3472 3.02422 TIMING: 742800 CPU: 2342.63, 0.00316904/step Wall: 2342.63, 0.00316904/step, 3.74756 hours remaining, 237.445312 MB of memory in use. ENERGY: 742800 4112.4366 20394.6915 14519.1650 239.9200 -203338.5130 2430.1466 0.0000 0.0000 52034.3495 -109607.8038 299.0421 -161642.1533 -109240.5732 298.6248 -132.2981 -104.0835 759118.3793 2.5433 2.4968 PRESSURE: 743000 31.8801 -174.395 -112.536 -174.395 -98.4394 -183.776 -112.536 -183.776 146.271 GPRESSURE: 743000 49.6145 -68.4638 -93.2826 -127.462 -41.7571 -153.853 -25.1537 -109.293 154.213 PRESSAVG: 743000 -25.5135 19.712 -29.9095 19.712 24.213 47.4182 -29.9096 47.4183 15.5122 GPRESSAVG: 743000 -26.2236 18.5197 -30.3308 19.8548 25.6721 48.0764 -32.3443 49.2544 14.7113 TIMING: 743000 CPU: 2343.26, 0.00317431/step Wall: 2343.26, 0.00317431/step, 3.75362 hours remaining, 237.445312 MB of memory in use. ENERGY: 743000 3949.5591 20674.7709 14371.1915 245.2532 -203279.8774 2494.3467 0.0000 0.0000 51943.2220 -109601.5340 298.5184 -161544.7561 -109249.2583 298.8585 26.5706 54.0235 760428.1578 4.7372 4.7199 PRESSURE: 743200 -79.6137 -100.842 90.0394 -100.842 30.8285 114.88 90.0394 114.88 350.786 GPRESSURE: 743200 14.2238 -157.293 40.9109 96.5843 30.4839 217.224 83.9001 79.1509 331.193 PRESSAVG: 743200 -5.45043 14.0623 -20.245 14.0623 -24.9479 12.5707 -20.245 12.5707 12.3707 GPRESSAVG: 743200 -5.06742 16.0937 -19.5352 15.5421 -25.15 11.1018 -19.0423 11.8667 12.27 TIMING: 743200 CPU: 2343.9, 0.00317734/step Wall: 2343.9, 0.00317734/step, 3.75703 hours remaining, 237.445312 MB of memory in use. ENERGY: 743200 3947.8639 20491.5585 14499.3111 249.9036 -203524.9502 2685.7527 0.0000 0.0000 51959.1926 -109691.3678 298.6102 -161650.5605 -109338.3137 298.6889 100.6671 125.3002 760278.3200 -6.0092 -5.9825 PRESSURE: 743400 -107.085 108.771 22.2405 108.77 -117.193 53.9112 22.2415 53.9113 70.8305 GPRESSURE: 743400 -86.114 134.178 33.8433 8.35878 -98.156 55.1415 2.91788 43.3334 121.106 PRESSAVG: 743400 28.3805 -10.2774 52.3871 -10.2774 -43.6911 50.3781 52.387 50.3781 -15.3188 GPRESSAVG: 743400 29.3115 -12.5632 49.6178 -12.5298 -44.3392 52.0088 51.12 48.9926 -15.4454 TIMING: 743400 CPU: 2344.53, 0.00315456/step Wall: 2344.53, 0.00315456/step, 3.72991 hours remaining, 237.445312 MB of memory in use. ENERGY: 743400 3919.2373 20362.9633 14517.6021 254.1764 -203224.5896 2463.5061 0.0000 0.0000 51926.8182 -109780.2861 298.4241 -161707.1043 -109419.5149 298.3831 -51.1492 -21.0548 760800.2170 -10.2098 -10.1577 PRESSURE: 743600 78.3619 255.222 183.28 255.221 -213.898 -77.532 183.281 -77.5323 79.3323 GPRESSURE: 743600 22.8756 179.455 139.141 124.654 -82.6195 -118.03 230.189 -123.104 97.8974 PRESSAVG: 743600 -57.8189 46.9094 -10.1731 46.9094 48.5448 -1.83958 -10.173 -1.83963 11.0584 GPRESSAVG: 743600 -58.7525 47.2619 -8.46873 46.7248 48.0538 -3.53502 -8.15088 0.509903 12.2156 TIMING: 743600 CPU: 2345.17, 0.0031805/step Wall: 2345.17, 0.0031805/step, 3.76041 hours remaining, 237.445312 MB of memory in use. ENERGY: 743600 3990.9854 20714.5478 14484.9059 239.6385 -203656.0499 2650.6145 0.0000 0.0000 51735.5418 -109839.8162 297.3249 -161575.3579 -109483.5587 298.6641 -18.7345 12.7178 758429.5769 0.5948 0.5056 PRESSURE: 743800 72.5094 104.899 -73.8273 104.899 251.842 -11.5704 -73.8272 -11.5704 60.8275 GPRESSURE: 743800 122.845 19.4864 -19.9337 118.205 300.97 -77.1869 -110.778 -29.2082 75.8665 PRESSAVG: 743800 -51.9973 -14.6232 -59.6196 -14.6232 30.0211 -1.2042 -59.6197 -1.2041 -0.851147 GPRESSAVG: 743800 -52.5522 -15.1276 -60.6411 -11.8407 31.4532 -1.13799 -59.7528 -0.00660424 -1.01867 TIMING: 743800 CPU: 2345.8, 0.00316849/step Wall: 2345.8, 0.00316849/step, 3.74604 hours remaining, 237.445312 MB of memory in use. ENERGY: 743800 3946.2326 20409.9675 14428.4088 249.3769 -203561.5605 2823.1814 0.0000 0.0000 51947.5533 -109756.8400 298.5433 -161704.3933 -109396.7222 298.6259 128.3928 166.5603 760743.0177 -7.6091 -7.3726 PRESSURE: 744000 132.96 -102.616 36.6817 -102.616 88.7471 -50.221 36.6821 -50.2201 -144.282 GPRESSURE: 744000 129.443 -49.266 46.9823 -183.278 195.193 -62.5665 -26.4544 0.545632 -173.562 PRESSAVG: 744000 -37.8356 -25.6987 -43.8325 -25.6987 41.8532 -22.6394 -43.8325 -22.6393 32.4118 GPRESSAVG: 744000 -36.7338 -23.8766 -41.4266 -27.2351 41.9711 -22.2249 -46.8418 -23.3831 30.9149 TIMING: 744000 CPU: 2346.43, 0.00313731/step Wall: 2346.43, 0.00313731/step, 3.70899 hours remaining, 237.445312 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: 744000 3930.9068 20526.6459 14518.5558 242.1156 -203865.5733 2808.1199 0.0000 0.0000 52142.7674 -109696.4620 299.6652 -161839.2294 -109321.4515 298.5609 25.8085 50.3577 762031.6809 12.1431 12.0507 PRESSURE: 744200 -68.5786 -70.1065 -42.958 -70.1065 11.6265 107.021 -42.9584 107.021 -151.4 GPRESSURE: 744200 -46.6215 -98.7998 -45.5551 -68.7748 21.2538 100.768 -36.187 121.86 -110.635 PRESSAVG: 744200 -15.3991 -18.8932 16.6275 -18.8932 11.5834 -28.0924 16.6275 -28.0925 -2.22853 GPRESSAVG: 744200 -14.07 -19.7103 16.3626 -18.5192 10.0684 -27.9512 17.0942 -27.7059 -1.58428 TIMING: 744200 CPU: 2347.06, 0.00316856/step Wall: 2347.06, 0.00316856/step, 3.74577 hours remaining, 237.445312 MB of memory in use. ENERGY: 744200 4039.0426 20656.0134 14498.9769 240.8840 -203568.3238 2613.0429 0.0000 0.0000 51772.1721 -109748.1919 297.5354 -161520.3640 -109398.1709 298.6399 -69.4505 -45.3343 760053.7830 -2.0147 -1.8620 LDB: ============= START OF LOAD BALANCING ============== 2359.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2359.52 LDB: =============== DONE WITH MIGRATION ================ 2359.52 LDB: ============= START OF LOAD BALANCING ============== 2359.84 LDB: Largest compute 7025 load 0.036896 is 18.9% of average load 0.194889 LDB: Average compute 0.004419 is 2.3% of average load 0.194889 LDB: TIME 2359.84 LOAD: AVG 0.194889 MAX 0.211754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 2359.84 LOAD: AVG 0.194889 MAX 0.211754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 2359.84 LOAD: AVG 0.194889 MAX 0.211754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 2359.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2359.85 PRESSURE: 744400 32.6012 -71.9445 -56.546 -71.9448 205.413 79.7163 -56.5457 79.7158 283.341 GPRESSURE: 744400 100.334 -5.08152 -38.5344 -51.231 229.596 -36.7965 32.774 85.7278 294.294 PRESSAVG: 744400 -43.6367 -15.7872 42.8852 -15.7873 55.3689 -0.711102 42.8852 -0.711105 -6.11088 GPRESSAVG: 744400 -44.6666 -16.0873 42.842 -13.3817 55.6466 -0.412461 44.662 -2.99074 -5.43605 TIMING: 744400 CPU: 2347.71, 0.00325515/step Wall: 2347.71, 0.00325515/step, 3.84795 hours remaining, 237.242188 MB of memory in use. ENERGY: 744400 3990.7784 20578.9369 14479.5171 266.1923 -203801.2023 2579.5575 0.0000 0.0000 51851.7818 -110054.4383 297.9929 -161906.2201 -109694.5604 298.5675 173.7850 208.0748 757770.9261 1.8738 1.8480 PRESSURE: 744600 9.96583 162.108 150.67 162.108 134.065 -124.911 150.671 -124.911 -116.428 GPRESSURE: 744600 72.4703 251.186 160.987 212.693 94.9799 -88.0849 -21.8757 -23.8938 -36.5363 PRESSAVG: 744600 19.5363 67.4833 -13.8424 67.4833 37.0465 8.99082 -13.8424 8.99075 10.5975 GPRESSAVG: 744600 19.0415 67.8149 -14.0975 65.4558 36.5942 6.94901 -15.8173 11.5 11.4852 TIMING: 744600 CPU: 2348.35, 0.00318421/step Wall: 2348.35, 0.00318421/step, 3.76391 hours remaining, 237.445312 MB of memory in use. ENERGY: 744600 4033.6990 20347.5838 14414.8747 244.4727 -204017.1318 2940.3562 0.0000 0.0000 52113.2662 -109922.8792 299.4957 -162036.1455 -109553.0279 297.8761 9.2012 43.6380 759500.2766 22.3935 22.3736 PRESSURE: 744800 -120.577 20.0108 58.8842 20.0104 -87.302 -155.021 58.8839 -155.02 -375.873 GPRESSURE: 744800 -149.645 -14.5429 73.3737 59.0009 -28.0202 -107.325 -55.2864 -255.5 -347.32 PRESSAVG: 744800 22.5989 12.1772 30.8532 12.1772 -14.2664 -19.0767 30.8532 -19.0767 10.5463 GPRESSAVG: 744800 21.9782 12.2424 31.0187 11.3538 -12.8982 -18.1095 31.9871 -20.6289 9.43306 TIMING: 744800 CPU: 2348.98, 0.0031464/step Wall: 2348.98, 0.0031464/step, 3.71905 hours remaining, 237.445312 MB of memory in use. ENERGY: 744800 4088.9003 20556.3389 14464.7129 241.0714 -203380.0760 2281.3592 0.0000 0.0000 51773.1535 -109974.5397 297.5410 -161747.6932 -109628.1271 298.2421 -194.5841 -174.9952 759555.0266 6.2929 6.1710 PRESSURE: 745000 386.951 158.288 -67.6949 158.288 -110.342 -122.828 -67.6936 -122.829 -183.015 GPRESSURE: 745000 415.545 128.088 -27.9345 120.352 -89.2411 -151.394 -121.686 -42.2668 -161.66 PRESSAVG: 745000 78.3368 14.4272 -4.56501 14.4272 -70.5784 36.2463 -4.56498 36.2463 20.7114 GPRESSAVG: 745000 77.0597 15.0258 -4.54513 13.1494 -70.8487 36.2931 -5.38594 37.0235 21.8727 TIMING: 745000 CPU: 2349.61, 0.003142/step Wall: 2349.61, 0.003142/step, 3.71367 hours remaining, 237.445312 MB of memory in use. ENERGY: 745000 4017.4731 20540.9083 14464.9188 230.8109 -203760.3545 2633.2576 0.0000 0.0000 52156.4169 -109716.5689 299.7436 -161872.9859 -109358.8753 298.5324 31.1980 54.8811 760878.7512 9.4899 9.3613 PRESSURE: 745200 -522.855 -4.44643 297.083 -4.44699 -259.34 3.12619 297.084 3.12693 -143.806 GPRESSURE: 745200 -460.566 52.0558 222.904 13.3022 -262.883 19.5139 181.796 58.3285 -109.397 PRESSAVG: 745200 67.2042 -57.6998 24.8333 -57.6998 -3.49537 40.4498 24.8333 40.4497 15.603 GPRESSAVG: 745200 67.2767 -58.0681 23.9463 -55.6185 -2.76278 40.4909 26.5251 38.8792 15.0939 TIMING: 745200 CPU: 2350.24, 0.00316185/step Wall: 2350.24, 0.00316185/step, 3.73696 hours remaining, 237.445312 MB of memory in use. ENERGY: 745200 4016.9886 20431.1451 14486.2399 262.9531 -203122.3204 2282.4256 0.0000 0.0000 51953.8626 -109688.7054 298.5796 -161642.5680 -109334.9792 298.5820 -308.6669 -277.6155 760903.0108 26.4373 26.5359 PRESSURE: 745400 95.2703 -65.2997 -63.5475 -65.3002 135.906 0.525189 -63.5468 0.524767 -27.8778 GPRESSURE: 745400 144.739 -15.9626 -122.068 51.4043 139.858 -33.7905 -12.7956 70.8119 1.37472 PRESSAVG: 745400 13.2359 16.627 -1.61025 16.627 15.5135 -7.97629 -1.61033 -7.97623 -15.6388 GPRESSAVG: 745400 14.4493 17.9475 -1.7722 16.8154 15.2374 -6.66211 -0.490201 -8.39548 -16.6389 TIMING: 745400 CPU: 2350.88, 0.00317533/step Wall: 2350.88, 0.00317533/step, 3.75271 hours remaining, 237.445312 MB of memory in use. ENERGY: 745400 3920.3980 20397.0438 14421.7515 271.8732 -203857.9582 2940.1471 0.0000 0.0000 52093.7039 -109813.0408 299.3832 -161906.7447 -109448.6390 298.8308 67.7663 95.3236 758938.7565 4.3702 4.3493 PRESSURE: 745600 -11.8492 -52.9758 67.1124 -52.9756 -334.111 2.67405 67.1128 2.6748 135.792 GPRESSURE: 745600 22.9924 -108.878 51.7895 -102.61 -316.538 -14.1733 50.184 -130.979 176.204 PRESSAVG: 745600 -10.4887 -14.5227 -5.67765 -14.5228 38.6169 9.55984 -5.67765 9.5599 -8.83751 GPRESSAVG: 745600 -11.3605 -15.7996 -6.04886 -16.5193 38.462 9.5292 -7.18058 9.56167 -7.48622 TIMING: 745600 CPU: 2351.51, 0.00318705/step Wall: 2351.51, 0.00318705/step, 3.76639 hours remaining, 237.445312 MB of memory in use. ENERGY: 745600 4023.1583 20445.5675 14483.8270 247.5773 -203676.3297 2771.0796 0.0000 0.0000 51854.3104 -109850.8095 298.0074 -161705.1199 -109498.7567 298.1413 -70.0559 -39.1138 760864.3834 6.4302 6.5384 PRESSURE: 745800 39.0751 136.596 115.788 136.596 294.408 52.4584 115.788 52.4594 257.737 GPRESSURE: 745800 106.911 152.826 123.945 129.567 306.929 67.6408 54.9544 -44.8528 255.236 PRESSAVG: 745800 27.5112 12.1088 32.6575 12.1088 -7.72601 -37.1403 32.6575 -37.1403 43.9278 GPRESSAVG: 745800 27.9868 11.8231 33.1639 12.2603 -7.67586 -37.8645 31.9127 -37.7539 42.9825 TIMING: 745800 CPU: 2352.15, 0.00317118/step Wall: 2352.15, 0.00317118/step, 3.74746 hours remaining, 237.445312 MB of memory in use. ENERGY: 745800 4002.1759 20480.4979 14521.5578 242.2429 -203628.7292 2833.7493 0.0000 0.0000 52106.5504 -109441.9550 299.4571 -161548.5054 -109093.0253 298.8614 197.0734 223.0256 759284.1742 21.2377 21.0978 PRESSURE: 746000 125.358 126.807 -116.163 126.807 -272.061 -49.0355 -116.162 -49.0367 246.482 GPRESSURE: 746000 70.8319 154.568 -55.2761 77.0807 -144.351 -12.9127 -205.262 -41.7279 263.104 PRESSAVG: 746000 42.043 -22.5979 -12.3562 -22.5979 -65.9131 3.28354 -12.3562 3.28353 9.99546 GPRESSAVG: 746000 41.8448 -22.1816 -11.497 -22.8221 -66.8148 2.39089 -10.9629 3.71344 11.6658 TIMING: 746000 CPU: 2352.78, 0.00318277/step Wall: 2352.78, 0.00318278/step, 3.76098 hours remaining, 237.445312 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: 746000 3931.0762 20394.1895 14505.6822 261.2443 -202839.4554 2263.7459 0.0000 0.0000 52162.8657 -109320.6516 299.7807 -161483.5174 -108950.9131 299.1461 33.2597 63.1949 760831.5808 -4.6249 -4.4347 PRESSURE: 746200 72.6227 65.9154 -38.8258 65.9158 -165.745 -90.6547 -38.8256 -90.6544 -303.99 GPRESSURE: 746200 94.395 77.6447 -131.116 -8.67664 -129.386 -25.0261 -42.958 -99.277 -269.489 PRESSAVG: 746200 50.426 -33.0573 19.2878 -33.0572 -26.2282 -25.1422 19.2879 -25.1423 14.4852 GPRESSAVG: 746200 50.4621 -32.3119 17.5654 -30.8496 -25.8581 -23.2515 17.2088 -24.8937 13.9425 TIMING: 746200 CPU: 2353.41, 0.00314835/step Wall: 2353.41, 0.00314834/step, 3.72012 hours remaining, 237.445312 MB of memory in use. ENERGY: 746200 3976.7483 20428.0516 14383.0564 282.2970 -203182.8563 2461.3557 0.0000 0.0000 52176.5877 -109474.7595 299.8596 -161651.3472 -109102.2673 298.9847 -132.3708 -101.4934 760294.6573 12.8944 12.8489 PRESSURE: 746400 -285.473 63.3785 -18.9359 63.3788 408 121.669 -18.9362 121.67 -144.312 GPRESSURE: 746400 -239.633 91.5078 19.6026 66.2717 365.057 115.962 47.417 58.7188 -92.7513 PRESSAVG: 746400 54.5327 -1.55521 1.24913 -1.55522 13.2567 -49.7376 1.2492 -49.7375 2.7025 GPRESSAVG: 746400 54.1089 -1.2122 2.97085 -2.11623 11.8967 -49.674 3.47476 -50.2895 3.59135 TIMING: 746400 CPU: 2354.05, 0.00316469/step Wall: 2354.05, 0.00316469/step, 3.73925 hours remaining, 237.445312 MB of memory in use. ENERGY: 746400 3966.3192 20504.8190 14432.4665 253.9052 -203431.9693 2625.1131 0.0000 0.0000 52275.8763 -109373.4700 300.4302 -161649.3463 -109016.5184 299.4271 -7.2616 10.8908 761838.9837 23.4973 23.1990 PRESSURE: 746600 -48.9615 93.0414 21.6504 93.0412 -152.636 33.7572 21.6503 33.7577 -344.26 GPRESSURE: 746600 -121.894 95.1373 59.4191 16.2787 -97.7158 18.0346 -139.465 63.9127 -257.188 PRESSAVG: 746600 24.7471 -15.0962 34.1707 -15.0961 -14.1892 38.5455 34.1707 38.5455 21.8127 GPRESSAVG: 746600 22.7107 -16.5896 33.1926 -16.829 -11.8856 37.1607 34.1778 41.4226 21.3316 TIMING: 746600 CPU: 2354.68, 0.00315095/step Wall: 2354.68, 0.00315095/step, 3.72285 hours remaining, 237.445312 MB of memory in use. ENERGY: 746600 4031.3457 20631.3154 14515.5276 255.4668 -203570.9173 2487.4764 0.0000 0.0000 52082.3412 -109567.4442 299.3179 -161649.7854 -109206.6216 299.3606 -181.9525 -158.9325 761641.2155 10.7902 10.7189 PRESSURE: 746800 -150.654 -32.7455 244.797 -32.7449 14.6009 -9.81904 244.797 -9.82042 30.7087 GPRESSURE: 746800 -65.0352 -126.081 219.715 200.31 -18.3148 -32.9625 165.36 -103.705 71.2432 PRESSAVG: 746800 52.3374 -14.2226 -13.7562 -14.2226 -75.5988 11.9752 -13.7562 11.9752 1.15502 GPRESSAVG: 746800 54.4953 -12.0885 -13.1382 -13.4488 -76.9768 12.5342 -14.3215 10.614 0.568202 TIMING: 746800 CPU: 2355.31, 0.00316474/step Wall: 2355.31, 0.00316474/step, 3.73896 hours remaining, 237.445312 MB of memory in use. ENERGY: 746800 4049.9673 20449.9343 14479.6127 250.4246 -203147.4489 2351.8235 0.0000 0.0000 52015.3093 -109550.3772 298.9327 -161565.6865 -109187.7846 298.9455 -35.1147 -4.0356 760851.8778 -7.3688 -7.3044 PRESSURE: 747000 88.6373 -152.354 -65.6579 -152.353 72.3195 9.87713 -65.6584 9.87635 21.9041 GPRESSURE: 747000 102.622 -174.725 -137.95 -252.612 132.468 -21.0338 18.0363 -18.8628 50.6371 PRESSAVG: 747000 34.3464 -29.2865 20.8498 -29.2865 -37.0097 19.9716 20.8498 19.9716 -15.0609 GPRESSAVG: 747000 34.1804 -28.561 20.2469 -30.3626 -36.8116 19.1335 23.286 20.2478 -15.1861 TIMING: 747000 CPU: 2355.94, 0.00317408/step Wall: 2355.94, 0.00317408/step, 3.74982 hours remaining, 237.445312 MB of memory in use. ENERGY: 747000 4040.0292 20458.6872 14504.2395 260.3946 -203578.4819 2844.2690 0.0000 0.0000 52009.9685 -109460.8940 298.9020 -161470.8624 -109094.6672 298.7379 60.9536 95.2422 759941.0272 -5.9081 -5.9391 PRESSURE: 747200 -290.418 178.237 64.1463 178.236 -150.138 294.084 64.1465 294.084 67.9095 GPRESSURE: 747200 -253.856 112.055 68.5651 251.235 -220.691 297.299 -0.0239361 240.312 206.367 PRESSAVG: 747200 53.1684 -19.2341 37.3254 -19.234 -33.213 22.1591 37.3254 22.1591 -34.9651 GPRESSAVG: 747200 52.6257 -20.3234 37.7541 -19.6306 -32.7555 22.2555 35.2819 23.2173 -34.4237 TIMING: 747200 CPU: 2356.58, 0.00317219/step Wall: 2356.58, 0.00317219/step, 3.74742 hours remaining, 237.445312 MB of memory in use. ENERGY: 747200 4012.6422 20422.4712 14490.5751 252.4607 -202624.7683 2089.8013 0.0000 0.0000 52106.4756 -109250.3421 299.4566 -161356.8178 -108882.9563 299.3471 -124.2157 -89.3937 760708.9196 -5.0032 -4.8512 PRESSURE: 747400 192.48 246.391 117.028 246.391 230.017 160.006 117.028 160.006 -171.277 GPRESSURE: 747400 164.477 151.87 98.5074 270.547 341.487 150.789 93.2535 272.765 -161.488 PRESSAVG: 747400 19.5643 -15.5155 -11.7108 -15.5155 -9.35483 21.5038 -11.7108 21.5039 -0.531944 GPRESSAVG: 747400 19.5044 -15.2802 -10.9293 -13.1389 -9.18847 22.2862 -11.4822 22.5222 -0.540313 TIMING: 747400 CPU: 2357.21, 0.00315472/step Wall: 2357.21, 0.00315472/step, 3.7266 hours remaining, 237.445312 MB of memory in use. ENERGY: 747400 4012.1097 20381.3330 14523.6115 255.7297 -202893.3912 2507.8987 0.0000 0.0000 51973.8303 -109238.8783 298.6943 -161212.7085 -108874.3775 299.1738 83.7397 114.8253 761301.2879 3.2258 3.2585 PRESSURE: 747600 104.259 -6.22061 58.1059 -6.21929 -207.289 5.11017 58.1058 5.11096 -245.824 GPRESSURE: 747600 79.5186 6.03342 68.4714 -46.4259 -146.953 -22.3971 157.535 -150.898 -184.299 PRESSAVG: 747600 27.3175 -27.7454 -31.0511 -27.7454 -29.7339 5.46508 -31.0511 5.46511 -14.1563 GPRESSAVG: 747600 27.066 -29.475 -31.3607 -28.2117 -29.5711 6.22182 -29.5494 3.06762 -14.6951 TIMING: 747600 CPU: 2357.84, 0.00317016/step Wall: 2357.84, 0.00317016/step, 3.74466 hours remaining, 237.445312 MB of memory in use. ENERGY: 747600 3968.6547 20632.6181 14525.8349 241.0814 -203237.9771 2479.1630 0.0000 0.0000 52322.7929 -109067.8321 300.6998 -161390.6250 -108702.4057 299.7687 -116.2844 -83.9109 761385.2197 -5.5242 -5.7334 PRESSURE: 747800 -508.865 147.779 18.9803 147.78 -58.9931 -122.322 18.9795 -122.322 -180.425 GPRESSURE: 747800 -330.604 109.534 107.172 182.839 -112.603 -167.052 -32.454 -61.8084 -208.812 PRESSAVG: 747800 -36.4123 -49.9897 -6.89444 -49.9897 -19.1275 0.196145 -6.89449 0.196168 -1.02154 GPRESSAVG: 747800 -35.8882 -49.3444 -6.00752 -50.1933 -18.972 -0.499478 -7.26794 0.551216 -1.35429 TIMING: 747800 CPU: 2358.48, 0.00318255/step Wall: 2358.48, 0.00318255/step, 3.75912 hours remaining, 237.445312 MB of memory in use. ENERGY: 747800 4042.8478 20541.2063 14411.0319 246.2054 -202814.7822 2251.0948 0.0000 0.0000 52156.9537 -109165.4422 299.7467 -161322.3960 -108797.9572 299.5821 -249.4277 -217.3398 761470.8248 -18.8538 -18.7382 PRESSURE: 748000 89.4886 -59.1414 52.1791 -59.1419 266.066 57.6339 52.179 57.633 143.247 GPRESSURE: 748000 153.394 -155.749 55.0521 30.7014 274.568 68.2407 -41.9757 70.5488 158.968 PRESSAVG: 748000 -2.64783 54.226 15.85 54.2259 53.5345 33.3364 15.85 33.3364 7.72798 GPRESSAVG: 748000 -1.85046 53.6596 14.4963 53.5411 52.0672 33.3826 16.0454 33.7566 8.12431 TIMING: 748000 CPU: 2359.12, 0.00319524/step Wall: 2359.12, 0.00319524/step, 3.77394 hours remaining, 237.445312 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: 748000 3899.7055 20696.6318 14463.6731 243.2800 -202698.8476 2312.7413 0.0000 0.0000 52184.4924 -108898.3235 299.9050 -161082.8159 -108542.0275 300.0455 166.2672 195.6433 759762.8661 19.5382 19.4470 PRESSURE: 748200 -229.771 27.4059 -254.135 27.4058 -168.257 -153.786 -254.136 -153.787 -329.711 GPRESSURE: 748200 -221.777 9.92801 -218.08 38.9804 -142.151 -135.961 -175.282 -220.504 -300.457 PRESSAVG: 748200 -30.2663 -13.9126 16.9626 -13.9126 -15.8302 41.8744 16.9626 41.8745 -0.0389675 GPRESSAVG: 748200 -31.1292 -11.7514 17.183 -13.3268 -14.215 41.8332 16.7058 42.8002 -0.605386 TIMING: 748200 CPU: 2359.76, 0.00318599/step Wall: 2359.76, 0.00318599/step, 3.76283 hours remaining, 237.445312 MB of memory in use. ENERGY: 748200 4074.0874 20611.1979 14511.5504 272.4841 -202764.9370 2096.4711 0.0000 0.0000 52267.4070 -108931.7391 300.3815 -161199.1462 -108567.9217 299.9595 -242.5798 -221.4618 760224.7509 -15.3785 -15.3166 LDB: ============= START OF LOAD BALANCING ============== 2372.21 LDB: ============== END OF LOAD BALANCING =============== 2372.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2372.21 LDB: ============= START OF LOAD BALANCING ============== 2372.53 LDB: Largest compute 7065 load 0.037133 is 19.0% of average load 0.194972 LDB: Average compute 0.004387 is 2.2% of average load 0.194972 LDB: TIME 2372.54 LOAD: AVG 0.194972 MAX 0.212391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.156 MB LDB: TIME 2372.54 LOAD: AVG 0.194972 MAX 0.212391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.227 MB LDB: TIME 2372.54 LOAD: AVG 0.194972 MAX 0.212391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.227 MB LDB: ============== END OF LOAD BALANCING =============== 2372.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2372.54 PRESSURE: 748400 -234.261 131.407 90.7912 131.408 -5.45811 -12.4228 90.7903 -12.4245 -95.3891 GPRESSURE: 748400 -205.637 95.1425 114.785 244.579 19.3972 -4.3771 27.2568 108.161 -49.393 PRESSAVG: 748400 -29.9935 20.2298 -36.6369 20.2298 0.920858 -0.81238 -36.6369 -0.812291 -7.48179 GPRESSAVG: 748400 -29.313 18.1684 -37.7852 23.0793 0.389356 -0.569815 -35.9381 -1.46205 -6.98821 TIMING: 748400 CPU: 2360.41, 0.00325673/step Wall: 2360.41, 0.00325673/step, 3.8462 hours remaining, 236.984375 MB of memory in use. ENERGY: 748400 4131.6930 20399.1179 14404.8760 260.3012 -202855.3541 2307.4135 0.0000 0.0000 52160.9527 -109190.9998 299.7697 -161351.9524 -108827.3700 300.1953 -111.7027 -78.5444 760882.1354 -12.1848 -11.9706 PRESSURE: 748600 -55.4145 -107.47 -432.115 -107.471 -93.9994 -169.211 -432.116 -169.211 49.2842 GPRESSURE: 748600 43.3941 -19.1463 -455.597 -86.5092 -123.024 -215.174 -345.138 -33.516 53.5105 PRESSAVG: 748600 15.493 32.0872 -14.6432 32.0872 -28.2609 -14.3215 -14.6432 -14.3215 -14.3313 GPRESSAVG: 748600 15.4527 33.8894 -12.7908 29.6296 -28.0136 -14.121 -15.0986 -13.0909 -14.3782 TIMING: 748600 CPU: 2361.05, 0.0031896/step Wall: 2361.05, 0.00318961/step, 3.76675 hours remaining, 237.187500 MB of memory in use. ENERGY: 748600 4035.1010 20481.1637 14456.3036 235.7142 -202817.4787 2344.4378 0.0000 0.0000 52149.6667 -109115.0919 299.7049 -161264.7586 -108754.5424 299.9812 -33.3766 -8.7063 760957.9480 -9.0331 -8.9797 PRESSURE: 748800 -458.583 -50.2168 -48.2559 -50.2166 -186.835 112.927 -48.2554 112.929 -0.476557 GPRESSURE: 748800 -385.24 51.7653 -48.5093 9.70528 -122.988 135.69 -9.98061 84.9534 -52.9823 PRESSAVG: 748800 10.5173 -20.1227 8.06198 -20.1227 -69.5965 8.44453 8.06196 8.44456 17.4253 GPRESSAVG: 748800 12.3086 -20.7198 7.27305 -20.6982 -69.9271 7.64154 9.75221 6.68429 16.3997 TIMING: 748800 CPU: 2361.69, 0.00320287/step Wall: 2361.69, 0.00320287/step, 3.78223 hours remaining, 237.187500 MB of memory in use. ENERGY: 748800 4049.3644 20454.4696 14563.8928 255.2916 -202421.3027 1797.1175 0.0000 0.0000 52038.6588 -109262.5080 299.0669 -161301.1668 -108892.0787 299.3726 -215.2982 -187.0701 759969.6187 -13.8846 -13.7396 PRESSURE: 749000 171.525 47.758 8.19931 47.7581 95.9674 -30.5336 8.19931 -30.533 26.7371 GPRESSURE: 749000 135.305 138.163 23.737 31.0192 134.647 -126.77 91.7784 64.5563 123.874 PRESSAVG: 749000 -49.5049 -12.9306 8.16558 -12.9305 40.3587 -32.7705 8.16565 -32.7705 19.965 GPRESSAVG: 749000 -49.9783 -13.9007 9.23724 -10.584 40.8187 -31.4629 6.8459 -33.2067 20.3069 TIMING: 749000 CPU: 2362.33, 0.00320084/step Wall: 2362.33, 0.00320084/step, 3.77966 hours remaining, 237.187500 MB of memory in use. ENERGY: 749000 3912.8285 20432.2252 14424.8787 224.7953 -203011.1918 2441.6091 0.0000 0.0000 52108.6054 -109466.2497 299.4689 -161574.8551 -109096.7670 299.2152 98.0764 131.2755 759507.9444 3.6063 3.7158 PRESSURE: 749200 217.312 113.095 219.202 113.094 274.953 47.3694 219.202 47.3704 187.444 GPRESSURE: 749200 187.689 58.564 113.294 67.0886 364.009 43.6454 321.79 73.4334 214.254 PRESSAVG: 749200 41.4185 -71.116 9.14786 -71.116 10.1766 -27.1811 9.14786 -27.1811 -19.7148 GPRESSAVG: 749200 39.9268 -70.0332 7.4091 -73.9622 10.8316 -28.4881 11.4555 -27.4783 -19.2853 TIMING: 749200 CPU: 2362.96, 0.00317512/step Wall: 2362.96, 0.00317512/step, 3.74912 hours remaining, 237.187500 MB of memory in use. ENERGY: 749200 4040.6690 20435.8051 14476.5319 214.9929 -203196.0501 2575.0100 0.0000 0.0000 51976.9496 -109476.0915 298.7122 -161453.0411 -109108.7925 298.5403 226.5698 255.3174 759274.1118 10.6268 10.4911 PRESSURE: 749400 416.878 -8.81657 260.766 -8.81696 -202.338 -32.2062 260.766 -32.2057 409.79 GPRESSURE: 749400 398.266 -67.5841 186.139 72.5146 -80.5386 16.9437 192.796 -92.0595 388.111 PRESSAVG: 749400 41.5619 11.6626 -23.6612 11.6625 -45.6509 -21.6732 -23.6612 -21.6732 15.4006 GPRESSAVG: 749400 41.823 10.1334 -23.1809 13.6499 -44.4848 -20.9097 -25.6799 -20.7442 14.4817 TIMING: 749400 CPU: 2363.6, 0.00317697/step Wall: 2363.6, 0.00317697/step, 3.75112 hours remaining, 237.187500 MB of memory in use. ENERGY: 749400 3969.5874 20466.5881 14521.2586 247.4448 -202854.3437 2228.3573 0.0000 0.0000 52161.8452 -109259.2622 299.7748 -161421.1074 -108886.8333 299.3021 208.1101 235.2796 760298.5621 3.7705 3.9399 PRESSURE: 749600 240.497 49.2178 -217.887 49.2182 195.587 139.769 -217.887 139.77 523.199 GPRESSURE: 749600 209.494 36.4591 -179.88 39.3364 267.44 142.453 -135.693 149.126 578.58 PRESSAVG: 749600 21.8957 5.1512 13.1162 5.15116 -23.0108 13.6012 13.1163 13.6012 40.4975 GPRESSAVG: 749600 22.201 8.65875 13.3236 4.53981 -24.3121 13.6183 13.0495 11.7842 41.3626 TIMING: 749600 CPU: 2364.23, 0.00317111/step Wall: 2364.23, 0.00317111/step, 3.74403 hours remaining, 237.187500 MB of memory in use. ENERGY: 749600 3967.0909 20467.3445 14464.7451 238.1587 -202991.1754 2520.2336 0.0000 0.0000 52178.6847 -109154.9180 299.8716 -161333.6027 -108784.5098 299.8426 319.7613 351.8381 760999.9168 13.1275 13.0838 PRESSURE: 749800 110.216 -121.46 -302.101 -121.461 -38.7621 -53.0972 -302.102 -53.0973 -86.1781 GPRESSURE: 749800 151.661 -230.885 -397.376 -169.162 23.6589 -57.4029 -106.597 28.5405 -89.1553 PRESSAVG: 749800 9.46254 -57.4449 -9.02749 -57.4449 -34.8544 36.519 -9.02749 36.519 -6.18362 GPRESSAVG: 749800 10.262 -58.5611 -7.81151 -59.0474 -35.1262 35.0505 -7.95698 37.6734 -6.59659 TIMING: 749800 CPU: 2364.86, 0.00316394/step Wall: 2364.86, 0.00316394/step, 3.73539 hours remaining, 237.187500 MB of memory in use. ENERGY: 749800 3911.5592 20486.5363 14435.8379 247.9558 -203133.1982 2575.9434 0.0000 0.0000 52297.0415 -109178.3241 300.5518 -161475.3656 -108811.8850 299.4280 -4.9080 28.7214 759986.7186 -10.5251 -10.4869 PRESSURE: 750000 523.492 -40.9567 32.3964 -40.9572 -22.9476 -65.7971 32.3963 -65.7965 -18.1483 GPRESSURE: 750000 528.984 -51.2069 26.1882 7.9588 55.991 -73.3008 -51.5615 -96.4558 -13.1076 PRESSAVG: 750000 58.2184 1.36698 -38.1358 1.367 -64.8638 42.8135 -38.1358 42.8135 -21.604 GPRESSAVG: 750000 58.0927 -1.62865 -40.1723 6.03654 -63.3094 45.5174 -38.1412 43.747 -22.9429 TIMING: 750000 CPU: 2365.49, 0.00315485/step Wall: 2365.49, 0.00315485/step, 3.72448 hours remaining, 237.187500 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: 750000 4020.5906 20546.7958 14446.8867 257.1661 -203215.1274 2601.0101 0.0000 0.0000 52226.6816 -109115.9965 300.1475 -161342.6781 -108756.4293 300.2714 160.7986 190.6224 760464.2223 -9.4165 -9.3865 PRESSURE: 750200 -131.762 28.3222 79.3927 28.3216 -511.374 72.2151 79.3924 72.2146 179.107 GPRESSURE: 750200 -123.714 -3.56129 139.096 61.2052 -426.726 50.3827 67.725 60.1288 185.143 PRESSAVG: 750200 82.538 37.0726 22.1582 37.0726 -41.3359 30.4693 22.1582 30.4693 10.7982 GPRESSAVG: 750200 81.3324 40.1332 22.7024 35.2038 -41.9056 28.378 20.9213 29.7109 12.3441 TIMING: 750200 CPU: 2366.13, 0.00315296/step Wall: 2366.13, 0.00315296/step, 3.72207 hours remaining, 237.187500 MB of memory in use. ENERGY: 750200 4012.3480 20584.9156 14518.8949 241.4088 -202826.6366 2275.3481 0.0000 0.0000 51967.1692 -109226.5519 298.6560 -161193.7211 -108877.9111 300.1367 -154.6762 -121.7658 761672.6835 17.3334 17.2570 PRESSURE: 750400 75.1538 -94.4748 -154.005 -94.4752 -139.827 -71.3133 -154.005 -71.3134 -274.681 GPRESSURE: 750400 112.62 -170.535 -138.718 -103.424 -52.3752 -0.541734 -239.103 -168.749 -297.239 PRESSAVG: 750400 63.7821 7.37935 39.9734 7.37925 -46.0113 13.5905 39.9734 13.5906 -7.64594 GPRESSAVG: 750400 64.6988 7.11475 41.1576 5.86911 -47.7155 13.7332 39.0372 11.9004 -6.94133 TIMING: 750400 CPU: 2366.76, 0.00315743/step Wall: 2366.76, 0.00315743/step, 3.72717 hours remaining, 237.187500 MB of memory in use. ENERGY: 750400 4002.4399 20585.2038 14493.8550 250.9145 -202525.9825 2161.0926 0.0000 0.0000 51921.7059 -109110.7708 298.3948 -161032.4767 -108751.7837 299.2939 -113.1181 -78.9981 761583.7657 3.3750 3.3473 PRESSURE: 750600 256.952 -30.3762 -289.026 -30.3764 118.081 -131.302 -289.026 -131.302 200.18 GPRESSURE: 750600 229.398 14.6417 -203.643 58.7203 131.055 -113.824 -112.092 -130.194 290.02 PRESSAVG: 750600 -15.1565 -61.2537 -45.1005 -61.2537 26.3926 -23.0261 -45.1006 -23.026 9.17147 GPRESSAVG: 750600 -15.6562 -60.9898 -46.5842 -61.5643 27.3222 -22.354 -42.3471 -21.6853 8.67385 TIMING: 750600 CPU: 2367.39, 0.00318934/step Wall: 2367.39, 0.00318934/step, 3.76467 hours remaining, 237.187500 MB of memory in use. ENERGY: 750600 3954.5532 20573.1345 14463.5990 259.0792 -203219.4254 2881.6417 0.0000 0.0000 52018.9807 -109068.4372 298.9538 -161087.4178 -108709.0205 299.2822 191.7378 216.8244 759753.3794 6.8025 6.7800 PRESSURE: 750800 -35.2487 85.8553 -206.589 85.8547 127.035 108.848 -206.588 108.847 -373.347 GPRESSURE: 750800 44.4186 100.628 -148.619 42.8644 108.847 130.417 -267.371 151.77 -353.512 PRESSAVG: 750800 -36.0961 -11.3358 -3.74823 -11.3358 36.7167 34.7321 -3.74826 34.7321 4.85506 GPRESSAVG: 750800 -36.9074 -10.5364 -1.22658 -11.6033 37.891 34.1729 -6.46044 34.7752 4.43173 TIMING: 750800 CPU: 2368.03, 0.00318379/step Wall: 2368.03, 0.00318379/step, 3.75793 hours remaining, 237.187500 MB of memory in use. ENERGY: 750800 4047.5134 20533.7106 14477.1592 253.2935 -203202.0219 2420.5446 0.0000 0.0000 52172.1879 -109297.6127 299.8343 -161469.8007 -108933.4845 300.0357 -93.8537 -66.7490 760071.7697 1.8252 1.8051 PRESSURE: 751000 214.325 48.8228 -38.3458 48.8227 -8.84603 -22.8254 -38.3461 -22.8266 -6.92851 GPRESSURE: 751000 195.85 31.3998 27.4306 33.9072 14.9409 29.5163 -35.8656 -63.4958 64.7288 PRESSAVG: 751000 52.0135 7.78021 -26.7845 7.78022 -42.7694 21.1525 -26.7845 21.1525 12.7886 GPRESSAVG: 751000 52.1451 6.06193 -29.2895 8.32048 -43.2257 23.5847 -25.5422 19.6089 12.8529 TIMING: 751000 CPU: 2368.67, 0.00318169/step Wall: 2368.67, 0.00318169/step, 3.75527 hours remaining, 237.187500 MB of memory in use. ENERGY: 751000 3999.1477 20611.8368 14499.0858 257.4709 -203367.2755 2513.9988 0.0000 0.0000 51968.1258 -109517.6098 298.6615 -161485.7356 -109156.7770 299.1284 66.1836 91.8399 759405.1527 7.3442 7.2575 PRESSURE: 751200 125.35 -100.366 82.1662 -100.366 -112.116 15.2321 82.1658 15.2317 421.582 GPRESSURE: 751200 298.02 -116.543 207.825 -218.771 -103.921 -37.2032 22.6984 -137.464 343.764 PRESSAVG: 751200 90.2062 0.431581 2.52318 0.431635 -90.7889 -10.7229 2.52316 -10.7229 -4.79794 GPRESSAVG: 751200 90.9763 1.73171 3.68342 -0.780585 -91.9507 -13.2683 2.18193 -9.574 -4.7448 TIMING: 751200 CPU: 2369.3, 0.00315647/step Wall: 2369.3, 0.00315647/step, 3.72533 hours remaining, 237.187500 MB of memory in use. ENERGY: 751200 3929.8019 20574.4925 14496.0191 239.0678 -203349.6851 2467.0441 0.0000 0.0000 51965.5625 -109677.6972 298.6468 -161643.2597 -109324.6610 299.4757 144.9386 179.2877 760910.6192 -1.7935 -1.9064 PRESSURE: 751400 -511.217 85.2099 221.722 85.2094 149.109 98.9955 221.722 98.9956 -240.91 GPRESSURE: 751400 -480.107 91.4562 215.151 -11.9398 98.1213 179.948 170.913 50.344 -156.512 PRESSAVG: 751400 38.9783 23.5865 24.7305 23.5865 -30.5532 -12.9953 24.7305 -12.9953 5.98173 GPRESSAVG: 751400 38.3669 20.7608 24.683 23.8212 -31.0754 -12.229 24.7922 -13.655 7.27899 TIMING: 751400 CPU: 2369.93, 0.00317902/step Wall: 2369.93, 0.00317902/step, 3.75178 hours remaining, 237.187500 MB of memory in use. ENERGY: 751400 3940.3544 20540.4460 14564.0149 231.1809 -203472.5106 2393.5945 0.0000 0.0000 52267.3870 -109535.5328 300.3814 -161802.9198 -109171.0371 298.8230 -201.0060 -179.4993 760896.1553 4.8023 4.8568 PRESSURE: 751600 115.873 -26.6125 204.52 -26.6139 -193.278 17.4722 204.52 17.4717 -79.3205 GPRESSURE: 751600 182.169 -48.5676 221.855 -89.5888 -160.96 -0.62348 264.778 5.73941 -78.7442 PRESSAVG: 751600 27.1501 6.90391 51.7266 6.90386 -19.3498 -9.90123 51.7265 -9.9012 10.7496 GPRESSAVG: 751600 27.102 7.60861 49.9284 7.56431 -19.32 -11.2043 52.77 -9.4781 11.0065 TIMING: 751600 CPU: 2370.57, 0.00319088/step Wall: 2370.57, 0.00319088/step, 3.76559 hours remaining, 237.187500 MB of memory in use. ENERGY: 751600 4011.8597 20554.8209 14610.2516 249.5446 -203503.7167 2548.9571 0.0000 0.0000 52037.0523 -109491.2304 299.0577 -161528.2827 -109124.2498 299.3132 -52.2419 -19.1783 760746.9443 6.1833 6.2628 PRESSURE: 751800 -40.9157 -118.989 80.2332 -118.988 -185.074 -5.47429 80.2335 -5.47464 109.958 GPRESSURE: 751800 20.7122 -73.0379 97.9933 -100.102 -218.023 29.1683 74.7988 -80.3725 162.038 PRESSAVG: 751800 7.64664 -52.4234 32.9496 -52.4235 -6.68805 -27.582 32.9497 -27.582 19.0565 GPRESSAVG: 751800 7.61425 -52.2688 33.3201 -50.9643 -6.40871 -27.2683 32.7756 -26.4257 18.2139 TIMING: 751800 CPU: 2371.21, 0.00317253/step Wall: 2371.21, 0.00317253/step, 3.74376 hours remaining, 237.187500 MB of memory in use. ENERGY: 751800 4023.9303 20626.5537 14522.7708 255.0433 -203549.8294 2792.8575 0.0000 0.0000 51921.0566 -109407.6171 298.3910 -161328.6737 -109054.4209 298.9273 -38.6771 -11.7575 760861.3192 6.6717 6.4731 PRESSURE: 752000 170.965 -129.04 17.8563 -129.04 54.4663 -89.4336 17.8561 -89.4333 200.988 GPRESSURE: 752000 323.717 -48.8015 139.88 -160.084 56.3472 -158.686 -95.0726 -62.1875 141.207 PRESSAVG: 752000 22.9465 -65.7245 21.1 -65.7244 19.3071 -11.8005 21.1 -11.8005 -5.0718 GPRESSAVG: 752000 23.7755 -65.7118 20.5168 -65.5324 19.5195 -11.8518 21.3362 -12.817 -5.3436 TIMING: 752000 CPU: 2371.84, 0.00317599/step Wall: 2371.84, 0.00317599/step, 3.74767 hours remaining, 237.187500 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: 752000 3955.2758 20536.6934 14528.1131 258.3808 -203240.5362 2638.3135 0.0000 0.0000 52081.9561 -109241.8036 299.3157 -161323.7598 -108888.1861 299.6979 142.1398 173.7571 760973.8397 12.3939 12.6505 PRESSURE: 752200 28.4594 -137.994 153.864 -137.995 -86.5827 -56.1252 153.864 -56.1248 78.5437 GPRESSURE: 752200 -24.356 -137.083 82.3135 -141.62 -31.2317 -76.4514 255.027 -85.1881 172.46 PRESSAVG: 752200 9.64819 -37.9078 30.4314 -37.9078 -13.9639 9.80585 30.4314 9.80595 -3.85822 GPRESSAVG: 752200 8.67009 -38.0737 31.3739 -38.0527 -13.0686 9.84341 29.7187 8.73812 -3.78589 TIMING: 752200 CPU: 2372.48, 0.00318825/step Wall: 2372.48, 0.00318825/step, 3.76196 hours remaining, 237.187500 MB of memory in use. ENERGY: 752200 4003.5508 20503.2218 14427.9424 259.3441 -203214.7397 2502.0190 0.0000 0.0000 52039.4858 -109479.1759 299.0716 -161518.6617 -109127.4689 299.3080 6.8068 38.9574 760315.1982 -2.7247 -2.7281 LDB: ============= START OF LOAD BALANCING ============== 2384.94 LDB: ============== END OF LOAD BALANCING =============== 2384.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2384.94 LDB: ============= START OF LOAD BALANCING ============== 2385.26 LDB: Largest compute 7057 load 0.036040 is 18.5% of average load 0.194968 LDB: Average compute 0.004375 is 2.2% of average load 0.194968 LDB: TIME 2385.26 LOAD: AVG 0.194968 MAX 0.214157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.293 MB LDB: TIME 2385.26 LOAD: AVG 0.194968 MAX 0.214157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: TIME 2385.26 LOAD: AVG 0.194968 MAX 0.214157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: ============== END OF LOAD BALANCING =============== 2385.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2385.27 PRESSURE: 752400 93.7702 -89.9065 -106.503 -89.9053 -230.158 22.0263 -106.503 22.0273 121.361 GPRESSURE: 752400 195.781 15.8829 -101.375 -95.303 -246.635 -25.2149 -221.302 124.767 108.671 PRESSAVG: 752400 -15.5945 -56.3289 18.7121 -56.329 14.9121 14.1517 18.712 14.1518 0.882749 GPRESSAVG: 752400 -15.5987 -56.1133 17.9879 -57.8618 14.5462 14.1193 18.6211 16.29 0.315636 TIMING: 752400 CPU: 2373.14, 0.0032737/step Wall: 2373.14, 0.0032737/step, 3.86261 hours remaining, 236.839844 MB of memory in use. ENERGY: 752400 4022.5100 20289.7633 14397.3264 252.5344 -203291.2807 2487.1514 0.0000 0.0000 52278.2138 -109563.7813 300.4436 -161841.9951 -109194.4463 299.2628 -5.0090 19.2725 760232.6580 0.0668 -0.2456 PRESSURE: 752600 50.4673 -49.5712 175.81 -49.572 164.465 -9.93184 175.81 -9.9311 217.188 GPRESSURE: 752600 199.528 -123.894 180.711 29.7957 132.184 46.5562 50.9838 4.70832 197.965 PRESSAVG: 752600 36.3285 -43.2115 -9.14005 -43.2115 -27.6148 2.73209 -9.14007 2.73211 -15.9877 GPRESSAVG: 752600 37.2161 -43.9028 -8.61862 -41.4008 -29.175 4.54059 -9.1594 1.52752 -15.7952 TIMING: 752600 CPU: 2373.77, 0.00318686/step Wall: 2373.77, 0.00318686/step, 3.75997 hours remaining, 236.839844 MB of memory in use. ENERGY: 752600 3956.9293 20480.6032 14426.6074 252.3808 -203235.5435 2529.9536 0.0000 0.0000 51888.5495 -109700.5197 298.2042 -161589.0691 -109334.9026 299.0553 144.0400 176.5592 759565.3715 -2.4247 -2.5847 PRESSURE: 752800 -314.777 -56.5413 -75.6848 -56.5415 -339.284 -205.898 -75.6849 -205.899 50.0794 GPRESSURE: 752800 -182.54 -102.213 -103.635 -65.0391 -378.068 -261.989 -60.7152 -201.437 60.7388 PRESSAVG: 752800 72.7156 6.78395 36.1048 6.78391 -4.88785 -19.1371 36.1048 -19.1371 20.9117 GPRESSAVG: 752800 73.3044 4.92773 37.2512 5.44424 -4.86106 -21.7584 33.457 -17.0408 19.7868 TIMING: 752800 CPU: 2374.41, 0.00317617/step Wall: 2374.41, 0.00317617/step, 3.74717 hours remaining, 236.839844 MB of memory in use. ENERGY: 752800 4053.0170 20511.5362 14444.3208 253.4669 -203000.0599 2390.2172 0.0000 0.0000 51842.9010 -109504.6008 297.9419 -161347.5018 -109130.7591 298.4724 -201.3272 -166.6230 760710.3075 29.5798 29.4100 PRESSURE: 753000 -111.4 -145.617 -5.10688 -145.616 98.1949 183.947 -5.106 183.947 190.696 GPRESSURE: 753000 -27.3592 -177.156 -19.8452 -73.8041 129.686 179.022 -11.9466 198.218 151.756 PRESSAVG: 753000 35.0826 -41.1227 5.14165 -41.1227 -7.01965 -5.40166 5.14163 -5.40164 12.899 GPRESSAVG: 753000 33.3168 -38.897 3.49584 -38.8221 -7.80976 -3.42599 7.86978 -4.96199 14.6903 TIMING: 753000 CPU: 2375.05, 0.00319557/step Wall: 2375.05, 0.00319557/step, 3.76989 hours remaining, 236.839844 MB of memory in use. ENERGY: 753000 3983.7631 20348.6699 14479.7328 259.6126 -203178.6745 2513.4756 0.0000 0.0000 52143.9942 -109449.4263 299.6723 -161593.4205 -109082.0285 298.9416 59.1635 84.6943 759180.8369 13.6540 13.3991 PRESSURE: 753200 -43.2194 6.45414 113.886 6.45394 -100.981 126.085 113.886 126.086 -436.649 GPRESSURE: 753200 -42.8509 -43.58 105.545 98.2853 -69.9805 156.487 137.684 52.7722 -379.065 PRESSAVG: 753200 46.3788 -21.9235 35.6012 -21.9236 -47.5372 0.676367 35.6013 0.676438 5.86986 GPRESSAVG: 753200 46.0172 -21.5207 35.8687 -23.0756 -46.2797 0.30599 34.2558 -0.973626 5.36476 TIMING: 753200 CPU: 2375.69, 0.00319519/step Wall: 2375.69, 0.00319519/step, 3.76926 hours remaining, 236.839844 MB of memory in use. ENERGY: 753200 3998.3400 20524.9261 14553.1015 262.8914 -203292.7365 2413.5549 0.0000 0.0000 52091.4666 -109448.4559 299.3704 -161539.9226 -109091.9084 299.1765 -193.6165 -163.9655 759113.9994 1.5705 1.7008 PRESSURE: 753400 -19.3152 -18.445 -55.0531 -18.4448 -469.483 -14.372 -55.0529 -14.3717 -330.443 GPRESSURE: 753400 -18.6067 10.7602 -76.3541 37.395 -397.422 -68.8794 -122.669 -92.2784 -308.7 PRESSAVG: 753400 -1.70566 -44.3975 68.0299 -44.3975 -20.5651 90.8724 68.0299 90.8725 -15.7599 GPRESSAVG: 753400 -1.03666 -45.4584 69.5284 -45.2768 -21.6946 89.8835 68.3343 90.9232 -15.5504 TIMING: 753400 CPU: 2376.33, 0.00319946/step Wall: 2376.33, 0.00319946/step, 3.77412 hours remaining, 236.839844 MB of memory in use. ENERGY: 753400 4027.2774 20435.0392 14526.4103 256.3162 -203329.7657 2474.6285 0.0000 0.0000 51940.9773 -109669.1169 298.5055 -161610.0942 -109313.0336 299.1890 -273.0803 -241.5762 760569.2868 -12.6769 -12.7606 PRESSURE: 753600 -120.147 -7.97263 92.9228 -7.97193 -386.985 -207.577 92.9234 -207.576 -52.223 GPRESSURE: 753600 -62.9148 57.6924 81.2894 18.8733 -411.179 -117.706 12.3659 -150.656 -19.1462 PRESSAVG: 753600 46.5323 -59.4304 7.63714 -59.4304 14.0963 3.15332 7.63719 3.1533 1.56328 GPRESSAVG: 753600 45.8149 -58.108 7.4636 -59.7112 13.9262 2.31069 7.04965 4.05468 2.56028 TIMING: 753600 CPU: 2376.97, 0.00321906/step Wall: 2376.97, 0.00321906/step, 3.79706 hours remaining, 236.839844 MB of memory in use. ENERGY: 753600 4032.6543 20634.6188 14549.8311 278.1805 -203128.6121 2225.6610 0.0000 0.0000 51913.1053 -109494.5613 298.3453 -161407.6665 -109135.8224 299.4239 -186.4518 -164.4133 760626.1254 20.7306 20.7671 PRESSURE: 753800 54.4732 -251.06 203.944 -251.06 -57.269 3.92434 203.943 3.92338 -44.4779 GPRESSURE: 753800 138.712 -207.315 202.568 -182.118 -97.965 0.0366552 206.123 -35.6221 -6.1404 PRESSAVG: 753800 25.8147 -29.1619 31.0908 -29.1619 -43.6401 10.6495 31.0908 10.6495 -3.96329 GPRESSAVG: 753800 26.8422 -30.4035 31.2296 -28.4407 -43.9944 12.6974 30.9328 11.2127 -4.43442 TIMING: 753800 CPU: 2377.61, 0.00318367/step Wall: 2377.61, 0.00318367/step, 3.75514 hours remaining, 236.839844 MB of memory in use. ENERGY: 753800 4015.1146 20613.5332 14503.9774 258.7439 -203339.8462 2612.9037 0.0000 0.0000 51978.6482 -109356.9251 298.7220 -161335.5733 -109001.5363 299.2762 -15.7579 11.5355 759835.5236 -7.2629 -7.1955 PRESSURE: 754000 -238.642 -228.072 164.439 -228.072 -167.148 7.03496 164.439 7.03459 319.621 GPRESSURE: 754000 -193.282 -314.214 118.476 -199.377 -60.1259 51.3704 152.138 -29.3026 245.473 PRESSAVG: 754000 -23.1403 -13.2586 69.5008 -13.2586 0.28823 -14.8517 69.5008 -14.8517 -3.19092 GPRESSAVG: 754000 -23.4512 -14.2455 67.7818 -13.8947 1.69877 -16.1129 70.1799 -16.6785 -3.86669 TIMING: 754000 CPU: 2378.24, 0.00318386/step Wall: 2378.24, 0.00318386/step, 3.75519 hours remaining, 236.839844 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: 754000 3949.1493 20478.1418 14438.4892 247.7612 -203102.0196 2613.2847 0.0000 0.0000 52178.2516 -109196.9419 299.8691 -161375.1935 -108821.5380 299.4543 -28.7231 -2.6447 761065.9178 -8.6810 -8.5397 PRESSURE: 754200 130.578 -244.002 -82.1946 -244.002 11.737 197.469 -82.1951 197.468 4.65058 GPRESSURE: 754200 204.785 -197.002 -109.471 -256.879 39.3743 227.304 -46.5749 185.407 -19.7686 PRESSAVG: 754200 -16.5298 -4.50008 5.55493 -4.50006 -6.56744 -18.3876 5.55501 -18.3876 -12.3703 GPRESSAVG: 754200 -17.6062 -3.37623 6.67591 -3.51842 -6.52813 -18.9971 5.55713 -17.1723 -11.6089 TIMING: 754200 CPU: 2378.89, 0.00321102/step Wall: 2378.89, 0.00321102/step, 3.78704 hours remaining, 236.839844 MB of memory in use. ENERGY: 754200 3970.3621 20535.5164 14467.2147 231.6746 -203237.0205 2709.8758 0.0000 0.0000 52352.1928 -108970.1841 300.8688 -161322.3769 -108611.0034 300.0640 48.9885 74.7968 762133.4163 -11.8225 -11.9144 PRESSURE: 754400 219.558 -38.8599 1.83089 -38.8604 112.235 -249.853 1.83143 -249.853 -93.2844 GPRESSURE: 754400 198.923 13.716 66.6711 62.6143 224.104 -208.374 -0.283081 -226.433 -99.9235 PRESSAVG: 754400 56.689 -46.3992 21.832 -46.3992 -41.4747 9.84075 21.832 9.8408 20.2977 GPRESSAVG: 754400 58.9018 -48.0981 21.6652 -45.7011 -43.2277 12.4682 24.1881 10.2689 19.8375 TIMING: 754400 CPU: 2379.52, 0.00318261/step Wall: 2379.52, 0.00318261/step, 3.75335 hours remaining, 236.839844 MB of memory in use. ENERGY: 754400 3997.8497 20631.3248 14468.4629 246.2395 -202827.8568 2385.8882 0.0000 0.0000 52164.0205 -108934.0711 299.7873 -161098.0916 -108572.6646 299.7569 79.5028 107.7012 761955.4732 11.8373 11.8372 PRESSURE: 754600 -278.495 -193.378 134.818 -193.378 53.7634 68.839 134.818 68.8393 409.848 GPRESSURE: 754600 -188.876 -282.069 168.742 -257.86 40.9188 33.1738 112.724 -102.168 395.912 PRESSAVG: 754600 17.3129 -64.9487 68.5837 -64.9487 12.8635 -40.0682 68.5837 -40.0683 2.80745 GPRESSAVG: 754600 17.5121 -62.5267 67.1619 -67.5298 12.7459 -42.7905 69.4469 -40.2382 2.44594 TIMING: 754600 CPU: 2380.16, 0.00319348/step Wall: 2380.16, 0.00319348/step, 3.766 hours remaining, 236.839844 MB of memory in use. ENERGY: 754600 3963.1872 20756.7478 14500.5388 228.2362 -203335.5111 2662.2999 0.0000 0.0000 52366.2404 -108858.2608 300.9495 -161224.5012 -108490.8631 300.4079 61.7057 82.6517 762467.0615 10.9946 10.9013 PRESSURE: 754800 -13.6336 106.398 -54.4777 106.398 -328.613 128.921 -54.4776 128.921 54.7977 GPRESSURE: 754800 37.1356 68.2778 -3.05635 120.734 -283.237 145.31 56.1312 178.49 39.3481 PRESSAVG: 754800 -15.1215 -1.79499 87.1914 -1.79498 -53.4603 -75.8217 87.1913 -75.8217 -10.3788 GPRESSAVG: 754800 -15.6243 -3.64596 88.652 -0.194731 -54.2252 -74.6143 84.8391 -76.9895 -9.46115 TIMING: 754800 CPU: 2380.8, 0.00318243/step Wall: 2380.8, 0.00318243/step, 3.75279 hours remaining, 236.839844 MB of memory in use. ENERGY: 754800 3992.3895 20643.8184 14522.5754 261.9220 -202984.7640 2506.7853 0.0000 0.0000 52204.9408 -108852.3327 300.0225 -161057.2735 -108491.4968 300.0684 -95.8162 -68.9179 763120.6815 -26.3202 -26.4369 PRESSURE: 755000 436.752 -94.0108 111.623 -94.0105 16.3327 115.117 111.624 115.117 244.55 GPRESSURE: 755000 402.235 -14.1448 76.8402 -120.625 138.793 243.083 129.619 33.3902 262.697 PRESSAVG: 755000 27.6846 13.3728 26.916 13.3728 -53.6483 -26.4757 26.916 -26.4757 13.2873 GPRESSAVG: 755000 27.2662 17.0748 28.0659 11.691 -52.1328 -25.8743 27.6517 -25.6699 12.7675 TIMING: 755000 CPU: 2381.43, 0.00318621/step Wall: 2381.43, 0.00318621/step, 3.75707 hours remaining, 236.839844 MB of memory in use. ENERGY: 755000 3990.1734 20597.2574 14480.2007 255.2176 -202991.1192 2718.4637 0.0000 0.0000 52157.2589 -108792.5475 299.7485 -160949.8064 -108426.9410 300.3744 232.5447 267.9081 761830.6353 -4.2254 -4.0330 PRESSURE: 755200 -96.5196 -96.9393 30.4529 -96.9392 17.9852 72.5284 30.4524 72.529 341.187 GPRESSURE: 755200 -22.8016 -145.914 60.4131 -174.871 52.163 -35.7386 -75.7079 54.7722 312.528 PRESSAVG: 755200 26.995 -59.7566 -12.0396 -59.7565 -34.0488 -35.4544 -12.0396 -35.4544 6.55305 GPRESSAVG: 755200 27.2955 -63.2576 -11.7944 -58.2425 -35.1542 -36.9429 -12.4378 -34.3124 7.76977 TIMING: 755200 CPU: 2382.07, 0.00317492/step Wall: 2382.07, 0.00317492/step, 3.74358 hours remaining, 236.839844 MB of memory in use. ENERGY: 755200 3945.6560 20460.7121 14556.1141 249.5859 -202660.8279 2480.4673 0.0000 0.0000 52234.1660 -108734.1264 300.1905 -160968.2924 -108367.6072 300.5996 87.5507 113.9631 762798.0153 -0.1669 -0.0296 PRESSURE: 755400 -1.64357 -117.728 121.117 -117.729 -196.143 -90.6387 121.116 -90.6396 -48.5127 GPRESSURE: 755400 109.416 -133.976 170.53 -121.283 -137.221 -89.4764 153.833 -102.687 -154.845 PRESSAVG: 755400 7.63334 -61.5123 34.1679 -61.5124 -54.5588 -69.6138 34.168 -69.6138 -10.9604 GPRESSAVG: 755400 7.56232 -61.168 34.793 -62.2196 -53.3716 -67.4745 32.7901 -70.7135 -12.394 TIMING: 755400 CPU: 2382.71, 0.00319337/step Wall: 2382.71, 0.00319337/step, 3.76516 hours remaining, 236.839844 MB of memory in use. ENERGY: 755400 3980.0419 20472.3527 14498.0635 239.7902 -202868.0593 2234.8375 0.0000 0.0000 52649.7864 -108793.1871 302.5790 -161442.9736 -108421.3487 300.2554 -82.0998 -60.8834 760129.6752 -19.2953 -19.4011 PRESSURE: 755600 88.6424 -106.307 -128.56 -106.307 -535.283 -129.315 -128.56 -129.315 -439.036 GPRESSURE: 755600 45.848 -188.384 -136.685 -91.8535 -410.814 -140.687 -128.208 -205.078 -439.854 PRESSAVG: 755600 -7.21228 -29.473 11.7668 -29.473 16.6185 -28.2093 11.7668 -28.2093 1.64884 GPRESSAVG: 755600 -7.68421 -29.1241 11.0187 -27.7648 16.5046 -30.3221 12.9726 -28.2185 3.07083 TIMING: 755600 CPU: 2383.35, 0.00322805/step Wall: 2383.35, 0.00322805/step, 3.80587 hours remaining, 236.839844 MB of memory in use. ENERGY: 755600 3964.2066 20599.7104 14503.3978 244.2773 -202797.2436 2192.1907 0.0000 0.0000 52258.8491 -109034.6117 300.3323 -161293.4608 -108658.2596 300.6796 -295.2256 -268.2734 759815.3326 3.6850 3.9637 PRESSURE: 755800 53.6597 -30.8798 -48.2182 -30.8798 -139.702 106.196 -48.2183 106.196 -423.614 GPRESSURE: 755800 37.2849 -138.131 -62.2725 -10.8036 -131.092 75.7397 44.0943 148.823 -311.704 PRESSAVG: 755800 32.7245 -27.1303 -58.5551 -27.1303 -15.0063 -62.8474 -58.5551 -62.8474 8.14696 GPRESSAVG: 755800 34.2843 -26.6939 -58.2047 -28.0799 -14.5177 -62.0529 -57.8501 -61.7663 6.62032 TIMING: 755800 CPU: 2384, 0.00324748/step Wall: 2384, 0.00324748/step, 3.8286 hours remaining, 236.839844 MB of memory in use. ENERGY: 755800 4007.0542 20461.4146 14442.4724 253.9642 -202993.8113 2309.8738 0.0000 0.0000 52453.7671 -109065.2649 301.4525 -161519.0320 -108700.7622 299.9912 -169.8854 -135.1702 760344.9319 8.6217 8.7956 PRESSURE: 756000 110.887 203.286 -123.131 203.286 -126.738 295.47 -123.131 295.47 -130.96 GPRESSURE: 756000 146.009 101.546 -123.541 48.2655 -61.0808 302.727 -167.393 201.412 -152.382 PRESSAVG: 756000 40.6145 -47.5821 3.12668 -47.5821 6.76958 9.50514 3.1267 9.50521 -30.6333 GPRESSAVG: 756000 40.0047 -49.1802 4.04368 -48.0157 5.4482 10.1684 1.45197 7.9708 -29.4679 TIMING: 756000 CPU: 2384.65, 0.0032536/step Wall: 2384.65, 0.0032536/step, 3.83563 hours remaining, 236.839844 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: 756000 4035.5641 20607.1048 14505.0895 230.1408 -203159.1247 2455.5046 0.0000 0.0000 52251.0535 -109074.6673 300.2875 -161325.7209 -108719.5210 300.7339 -48.9372 -22.4846 758964.8516 5.5836 5.3284 PRESSURE: 756200 -107.466 17.6862 75.7413 17.6864 -96.0571 246.43 75.7407 246.43 -313.685 GPRESSURE: 756200 -13.301 -26.5372 52.9736 -16.662 -152.079 331.918 -34.5005 237.85 -262.863 PRESSAVG: 756200 34.0731 -19.5584 -4.488 -19.5584 -27.2216 -1.49808 -4.48811 -1.49809 -8.47898 GPRESSAVG: 756200 33.4506 -18.7652 -5.76131 -20.5889 -26.0185 -2.41957 -4.74349 -1.13341 -8.84413 TIMING: 756200 CPU: 2385.3, 0.00325311/step Wall: 2385.3, 0.00325311/step, 3.83487 hours remaining, 236.839844 MB of memory in use. ENERGY: 756200 4021.5061 20516.2776 14558.1963 278.1446 -202882.1207 2085.3525 0.0000 0.0000 52361.3704 -109061.2731 300.9215 -161422.6435 -108695.4478 300.5121 -172.4027 -142.7476 760217.5398 -0.5425 -0.4707 LDB: ============= START OF LOAD BALANCING ============== 2397.76 LDB: ============== END OF LOAD BALANCING =============== 2397.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2397.77 LDB: ============= START OF LOAD BALANCING ============== 2398.09 LDB: Largest compute 7034 load 0.035986 is 18.4% of average load 0.195059 LDB: Average compute 0.004404 is 2.3% of average load 0.195059 LDB: TIME 2398.09 LOAD: AVG 0.195059 MAX 0.219962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.41 MB LDB: TIME 2398.09 LOAD: AVG 0.195059 MAX 0.219962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: TIME 2398.09 LOAD: AVG 0.195059 MAX 0.213629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: ============== END OF LOAD BALANCING =============== 2398.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2398.1 PRESSURE: 756400 424.927 -138.104 -114.632 -138.105 366.472 72.8691 -114.632 72.8688 -135.296 GPRESSURE: 756400 481.751 -10.734 -91.0131 -79.2119 347.161 50.1566 -43.0193 119.132 -98.8332 PRESSAVG: 756400 46.9319 35.3707 14.1852 35.3708 -39.1994 3.97297 14.1852 3.97297 12.6564 GPRESSAVG: 756400 48.3302 36.5775 13.0158 35.8668 -40.1533 4.09563 14.461 4.03842 12.1952 TIMING: 756400 CPU: 2385.96, 0.00328613/step Wall: 2385.96, 0.00328613/step, 3.87362 hours remaining, 238.062500 MB of memory in use. ENERGY: 756400 3987.3874 20538.8058 14506.5964 240.3080 -203661.1067 2878.8634 0.0000 0.0000 52266.8856 -109242.2600 300.3785 -161509.1456 -108887.0979 299.7741 218.7010 243.3594 760060.1799 6.7963 6.7907 PRESSURE: 756600 -29.6293 -73.2683 -102.415 -73.269 241.693 -57.2683 -102.415 -57.2681 297.538 GPRESSURE: 756600 70.9834 -97.1363 -224.404 -82.877 288.327 48.114 -25.1475 -144.542 259.278 PRESSAVG: 756600 -67.7947 -12.614 -54.7195 -12.614 48.127 -22.3111 -54.7194 -22.3112 -3.18772 GPRESSAVG: 756600 -68.1292 -14.405 -54.207 -12.621 48.1596 -21.6218 -51.2149 -20.9439 -2.73555 TIMING: 756600 CPU: 2386.6, 0.00318711/step Wall: 2386.6, 0.00318711/step, 3.75672 hours remaining, 238.062500 MB of memory in use. ENERGY: 756600 3940.2931 20512.0287 14479.4053 271.3247 -203410.7956 2723.4381 0.0000 0.0000 52098.2511 -109386.0546 299.4094 -161484.3057 -109023.4860 299.7689 169.8674 206.1959 760507.4217 -7.6185 -7.5684 PRESSURE: 756800 44.7534 19.6343 70.4965 19.6341 -45.8739 -85.2077 70.4965 -85.2079 -206.582 GPRESSURE: 756800 46.8982 133.059 78.0082 89.8958 46.9018 -128.703 17.6365 -159.666 -211.103 PRESSAVG: 756800 36.904 -7.97767 -41.8968 -7.9777 16.4097 -33.8268 -41.8968 -33.8269 -12.6514 GPRESSAVG: 756800 36.131 -5.8849 -42.0263 -8.83955 18.0676 -35.2214 -44.738 -33.7122 -12.9219 TIMING: 756800 CPU: 2387.24, 0.00318925/step Wall: 2387.24, 0.00318925/step, 3.75906 hours remaining, 238.062500 MB of memory in use. ENERGY: 756800 4015.5470 20448.6536 14434.6957 238.4811 -203508.8514 2687.1967 0.0000 0.0000 52274.2249 -109410.0523 300.4207 -161684.2772 -109054.2594 298.9878 -69.2342 -39.1010 758717.7857 13.5541 13.7589 PRESSURE: 757000 287.798 -10.7988 -35.5324 -10.7992 226.679 203.035 -35.5326 203.035 188.847 GPRESSURE: 757000 270.09 -56.8913 27.2794 -32.8187 294.912 262.158 16.7325 246.151 212.561 PRESSAVG: 757000 -3.4622 -62.3801 24.0898 -62.3802 2.63271 20.8136 24.0899 20.8136 14.1529 GPRESSAVG: 757000 -3.81171 -62.8871 25.5612 -61.8594 3.08947 23.0331 22.5317 19.6594 14.8231 TIMING: 757000 CPU: 2387.88, 0.00319616/step Wall: 2387.88, 0.00319616/step, 3.76703 hours remaining, 238.265625 MB of memory in use. ENERGY: 757000 3968.1103 20539.2340 14509.6031 255.4350 -203490.3067 2836.9319 0.0000 0.0000 52201.3528 -109179.6396 300.0019 -161380.9923 -108817.3172 299.5592 234.4414 259.1877 759758.4130 4.4411 4.7003 PRESSURE: 757200 178.42 70.735 -170.492 70.7367 367.895 142.753 -170.492 142.755 -143.562 GPRESSURE: 757200 247.793 10.2544 -180.421 72.7277 305.401 84.4222 -149.612 117.431 -72.4293 PRESSAVG: 757200 24.9839 -21.7677 -0.820922 -21.7676 22.1363 44.3296 -0.820871 44.3297 25.4427 GPRESSAVG: 757200 26.3236 -21.6827 -0.612389 -21.6483 20.4735 43.2074 3.12398 44.5766 25.9463 TIMING: 757200 CPU: 2388.51, 0.00316879/step Wall: 2388.51, 0.00316879/step, 3.73459 hours remaining, 238.265625 MB of memory in use. ENERGY: 757200 3966.2914 20624.5982 14507.6591 239.4205 -203111.4940 2759.3098 0.0000 0.0000 51977.7841 -109036.4309 298.7170 -161014.2150 -108666.7535 299.8747 134.2507 160.2548 761315.5163 24.1876 24.2478 PRESSURE: 757400 218.106 27.4378 83.4538 27.4372 -256.56 -89.9617 83.4538 -89.9608 -31.0795 GPRESSURE: 757400 192.898 -2.29223 14.7567 -65.6498 -148.606 -18.515 127.344 63.793 -39.7122 PRESSAVG: 757400 20.001 -17.5299 15.646 -17.53 -17.4967 11.779 15.646 11.779 11.4107 GPRESSAVG: 757400 20.6275 -20.7326 14.5508 -17.1035 -16.7482 13.5843 13.4848 11.0338 10.277 TIMING: 757400 CPU: 2389.15, 0.0031831/step Wall: 2389.15, 0.0031831/step, 3.75128 hours remaining, 238.265625 MB of memory in use. ENERGY: 757400 3984.3789 20600.3043 14460.7329 259.0468 -203331.7056 2597.2736 0.0000 0.0000 52388.5073 -109041.4619 301.0775 -161429.9692 -108680.9150 300.1006 -23.1781 1.5266 759131.4405 4.6383 4.7187 PRESSURE: 757600 73.0271 221.486 -118.371 221.486 359.872 35.5223 -118.371 35.5225 -76.585 GPRESSURE: 757600 88.5025 230.068 -120.663 166.933 396.962 132.211 -139.52 127.205 -44.8819 PRESSAVG: 757600 -33.3566 78.8488 -6.61057 78.8488 5.9803 86.1172 -6.61056 86.1172 4.13248 GPRESSAVG: 757600 -34.1184 82.625 -5.9406 78.9103 5.56576 84.5324 -6.81241 87.9166 5.41491 TIMING: 757600 CPU: 2389.79, 0.00320942/step Wall: 2389.79, 0.00320942/step, 3.78212 hours remaining, 238.273438 MB of memory in use. ENERGY: 757600 3952.9544 20474.0133 14483.8535 256.6536 -202698.9319 2349.3658 0.0000 0.0000 52336.5128 -108845.5785 300.7787 -161182.0913 -108484.7329 300.2698 118.7712 146.8608 761205.9859 -7.7480 -7.7126 PRESSURE: 757800 -1.05761 -202.518 106.686 -202.518 -96.0123 94.3474 106.686 94.3468 370.61 GPRESSURE: 757800 63.7346 -347.074 49.2081 -258.897 -67.6331 8.29992 119.218 35.6346 353.609 PRESSAVG: 757800 -0.43005 -5.92746 35.4854 -5.92747 10.9494 -48.5146 35.4854 -48.5146 7.30623 GPRESSAVG: 757800 0.390708 -8.36855 32.6923 -4.98566 9.60856 -48.8502 37.5613 -47.6019 7.75722 TIMING: 757800 CPU: 2390.42, 0.00317671/step Wall: 2390.42, 0.00317671/step, 3.7434 hours remaining, 238.273438 MB of memory in use. ENERGY: 757800 3961.4848 20612.4235 14444.2463 263.3565 -202981.3940 2506.5341 0.0000 0.0000 52313.9660 -108879.3828 300.6491 -161193.3488 -108512.8501 300.2744 91.1801 116.5701 761383.0427 5.9419 5.9188 PRESSURE: 758000 -73.0918 -57.2844 124.108 -57.2844 245.63 67.6598 124.108 67.6593 -151.252 GPRESSURE: 758000 44.445 -74.392 101.743 -57.6161 248.577 74.2448 105.661 152.139 -186.025 PRESSAVG: 758000 -35.001 -25.6505 54.7005 -25.6505 19.1526 23.1061 54.7006 23.1061 -10.5079 GPRESSAVG: 758000 -35.599 -24.9793 58.2101 -26.6678 19.0724 23.7367 51.6522 22.5904 -10.3556 TIMING: 758000 CPU: 2391.06, 0.00320016/step Wall: 2391.06, 0.00320016/step, 3.77085 hours remaining, 238.273438 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: 758000 4059.5508 20487.7665 14502.8047 242.9689 -202994.3731 2480.9291 0.0000 0.0000 52362.1049 -108858.2482 300.9257 -161220.3531 -108500.0113 300.3061 7.0956 35.6656 760709.5479 -8.7854 -8.9607 PRESSURE: 758200 438.402 100.882 -4.09595 100.881 27.6945 -19.8266 -4.0957 -19.8259 438.558 GPRESSURE: 758200 498.452 402.953 -3.49714 179.885 12.1621 -89.8515 -87.0651 -36.211 463.169 PRESSAVG: 758200 -16.0151 -25.0564 44.2658 -25.0564 12.8976 0.20953 44.2658 0.209542 14.2079 GPRESSAVG: 758200 -17.1044 -25.4021 43.7765 -24.8231 14.8526 -0.673131 45.9228 -0.880604 13.9585 TIMING: 758200 CPU: 2391.71, 0.00325347/step Wall: 2391.71, 0.00325347/step, 3.83349 hours remaining, 238.273438 MB of memory in use. ENERGY: 758200 3980.1798 20456.0996 14530.8884 257.5049 -203146.7446 2513.6365 0.0000 0.0000 52328.9390 -109079.4964 300.7351 -161408.4354 -108712.5073 300.1051 301.5512 324.5944 759880.4102 3.6968 3.9022 PRESSURE: 758400 -163.295 -67.4264 -1.25243 -67.427 -169.323 -50.8666 -1.25233 -50.8667 214.601 GPRESSURE: 758400 -107.981 -88.7519 56.0032 107.04 -164.703 -133.421 -85.3667 10.3569 256.099 PRESSAVG: 758400 37.3896 24.7806 -29.8599 24.7807 -25.6466 61.1668 -29.8599 61.1669 7.65062 GPRESSAVG: 758400 38.8244 27.2844 -30.4193 24.8693 -26.9228 62.0702 -31.4744 61.8461 7.41114 TIMING: 758400 CPU: 2392.36, 0.00320526/step Wall: 2392.36, 0.00320526/step, 3.77651 hours remaining, 238.273438 MB of memory in use. ENERGY: 758400 4020.5709 20403.5340 14462.5401 278.1586 -203241.1559 2628.4778 0.0000 0.0000 52516.3060 -108931.5684 301.8119 -161447.8744 -108564.1263 299.8678 -39.3390 -5.5284 760677.2658 6.4646 6.4376 PRESSURE: 758600 -334.654 -141.961 -119.297 -141.961 -100.266 31.8661 -119.297 31.8668 -321.407 GPRESSURE: 758600 -258.404 -189.902 -119.892 -155.749 -99.0251 2.78934 -60.1435 -113.32 -318.928 PRESSAVG: 758600 -17.7846 4.76656 13.7688 4.76655 23.3848 -7.26274 13.7688 -7.26276 6.17844 GPRESSAVG: 758600 -17.1943 2.62112 12.5964 3.23815 23.4869 -5.18354 13.9476 -8.45504 5.73772 TIMING: 758600 CPU: 2393, 0.00322725/step Wall: 2393, 0.00322725/step, 3.80224 hours remaining, 238.273438 MB of memory in use. ENERGY: 758600 3925.9125 20546.6567 14480.9515 253.2020 -203114.2569 2579.4116 0.0000 0.0000 52282.0616 -109046.0610 300.4657 -161328.1226 -108670.6972 300.3475 -252.1089 -225.4522 760428.7003 3.9262 4.0101 PRESSURE: 758800 92.7353 63.2609 -386.59 63.2611 140.545 -96.058 -386.59 -96.0587 225.302 GPRESSURE: 758800 166.904 104.049 -404.749 57.0148 207.648 -107.727 -283.153 15.5949 176.323 PRESSAVG: 758800 -30.955 -14.76 -51.7888 -14.7599 54.3378 26.0396 -51.7888 26.0395 10.204 GPRESSAVG: 758800 -32.175 -13.748 -50.5109 -15.717 55.2007 22.9869 -50.8618 25.58 9.78927 TIMING: 758800 CPU: 2393.64, 0.00321133/step Wall: 2393.64, 0.00321133/step, 3.78331 hours remaining, 238.484375 MB of memory in use. ENERGY: 758800 4039.7858 20483.2294 14453.5542 228.1905 -202887.0562 2511.9863 0.0000 0.0000 52034.1626 -109136.1473 299.0410 -161170.3100 -108783.2714 300.0473 152.8610 183.6250 760473.0048 11.1956 10.9383 PRESSURE: 759000 -100.324 -257.873 347.802 -257.874 -49.0675 0.198826 347.801 0.198295 374.476 GPRESSURE: 759000 -74.7188 -208.803 200.741 -282.575 0.704717 -8.30422 366.554 46.6057 376.981 PRESSAVG: 759000 -19.3798 -41.6668 1.76979 -41.6668 2.53034 -17.6915 1.76985 -17.6915 -11.4471 GPRESSAVG: 759000 -18.7452 -43.3007 -1.18588 -40.4371 1.33419 -15.3164 1.5606 -16.992 -10.6005 TIMING: 759000 CPU: 2394.29, 0.00322955/step Wall: 2394.29, 0.00322955/step, 3.80458 hours remaining, 238.484375 MB of memory in use. ENERGY: 759000 3944.7685 20545.9435 14449.3006 256.4841 -203122.6868 2415.2442 0.0000 0.0000 52194.2360 -109316.7098 299.9610 -161510.9458 -108955.0849 299.8624 75.0283 100.9889 761120.2595 -9.4322 -9.3372 PRESSURE: 759200 84.5993 -126.452 97.7917 -126.453 -132.78 -132.927 97.7916 -132.927 -505.194 GPRESSURE: 759200 23.3288 -124.175 131.813 12.2741 -41.5065 -148.482 -0.999734 -231.099 -443.396 PRESSAVG: 759200 -40.7458 -7.6291 25.4731 -7.62916 15.1848 -26.1079 25.4731 -26.108 -7.34071 GPRESSAVG: 759200 -41.0121 -9.08257 27.1143 -5.53027 16.3151 -28.4779 25.8015 -23.3707 -8.17375 TIMING: 759200 CPU: 2394.93, 0.00321019/step Wall: 2394.93, 0.00321019/step, 3.7816 hours remaining, 238.484375 MB of memory in use. ENERGY: 759200 4017.0120 20308.0315 14535.1240 235.3118 -202691.1163 2017.7447 0.0000 0.0000 52076.2457 -109501.6465 299.2829 -161577.8922 -109137.4812 299.0048 -184.4584 -153.8579 760890.1852 -10.9672 -10.9569 PRESSURE: 759400 210.341 69.9942 -72.1349 69.9936 283.403 -125.067 -72.1347 -125.066 22.1497 GPRESSURE: 759400 302.881 123.788 -36.283 -41.8486 370.767 -106.572 -106.853 -168.24 -70.4979 PRESSAVG: 759400 9.63705 18.1463 26.6575 18.1463 -40.0069 -33.4558 26.6574 -33.4557 -19.9181 GPRESSAVG: 759400 10.53 19.1173 28.1855 16.0161 -40.4853 -30.5732 26.2826 -37.7351 -19.7966 TIMING: 759400 CPU: 2395.57, 0.0031953/step Wall: 2395.57, 0.0031953/step, 3.76388 hours remaining, 238.484375 MB of memory in use. ENERGY: 759400 3928.8395 20441.4373 14502.9112 250.6979 -203157.1214 2471.5689 0.0000 0.0000 52127.8900 -109433.7766 299.5797 -161561.6667 -109073.8162 298.9685 171.9645 201.0500 758468.4790 -16.7626 -16.5839 PRESSURE: 759600 -259.429 -71.8324 -30.4945 -71.8327 -197.99 -224.29 -30.4944 -224.29 -178.376 GPRESSURE: 759600 -164.942 -143.135 44.9962 -127.39 -118.094 -183.234 57.0012 -196.182 -247.739 PRESSAVG: 759600 -16.7675 -41.7272 -21.9229 -41.7272 18.7309 -0.0593038 -21.9229 -0.05925 -0.738332 GPRESSAVG: 759600 -16.8244 -39.8909 -23.6417 -41.6623 19.5626 -1.80604 -22.5115 1.05608 -1.51132 TIMING: 759600 CPU: 2396.21, 0.00317987/step Wall: 2396.21, 0.00317987/step, 3.74553 hours remaining, 238.484375 MB of memory in use. ENERGY: 759600 3971.8785 20530.7824 14472.3274 239.7963 -203023.0500 2043.2522 0.0000 0.0000 52314.4268 -109450.5864 300.6517 -161765.0132 -109089.3665 298.9380 -211.9316 -176.9252 760809.6507 0.4084 0.4089 PRESSURE: 759800 258.369 -12.5042 152.268 -12.5041 127.123 -217.752 152.268 -217.751 231.053 GPRESSURE: 759800 232.642 -4.66875 146.205 135.999 210.884 -201.349 -14.3593 -299.475 269.982 PRESSAVG: 759800 -1.91161 -40.1044 -3.85463 -40.1043 21.3116 16.186 -3.85466 16.186 -11.1568 GPRESSAVG: 759800 -1.59366 -40.4463 -2.88651 -40.4178 20.211 16.5888 -3.93394 16.9412 -10.8019 TIMING: 759800 CPU: 2396.85, 0.00322385/step Wall: 2396.85, 0.00322385/step, 3.79716 hours remaining, 238.484375 MB of memory in use. ENERGY: 759800 3981.2552 20481.8437 14470.5922 243.0411 -203507.8504 2635.4756 0.0000 0.0000 52057.5672 -109638.0754 299.1756 -161695.6425 -109268.6205 298.7448 205.5149 237.8359 759334.3551 2.7477 2.6051 PRESSURE: 760000 -14.9859 135.59 -74.4825 135.59 258.524 -161.256 -74.4828 -161.256 614.25 GPRESSURE: 760000 -3.34846 174.006 -59.2427 56.1772 298.459 -200.58 51.4692 -116.712 646.523 PRESSAVG: 760000 43.0377 13.9588 39.0427 13.9589 -15.5028 -1.79819 39.0427 -1.79823 26.4823 GPRESSAVG: 760000 41.7008 12.8923 38.8989 15.3332 -14.6781 -1.6751 40.2362 -3.26648 26.9895 TIMING: 760000 CPU: 2397.5, 0.00323733/step Wall: 2397.5, 0.00323734/step, 3.81286 hours remaining, 238.484375 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: 760000 4000.5165 20358.4263 14415.2640 257.1215 -203269.0312 2707.3302 0.0000 0.0000 51828.8341 -109701.5386 297.8610 -161530.3726 -109354.4557 298.5403 285.9292 313.8777 761468.8245 18.0057 18.0041 PRESSURE: 760200 -598.501 72.564 -107.965 72.5634 -295.184 206.163 -107.966 206.163 118.799 GPRESSURE: 760200 -532.269 -97.3404 -89.3336 79.0049 -281.31 249.141 -81.6972 111.037 142.649 PRESSAVG: 760200 54.5322 4.32427 -11.9644 4.32428 -16.6003 28.124 -11.9645 28.1239 -6.4634 GPRESSAVG: 760200 54.2326 4.65465 -14.1344 4.55127 -16.3732 27.71 -10.8591 28.5491 -6.28913 TIMING: 760200 CPU: 2398.14, 0.00322755/step Wall: 2398.14, 0.00322755/step, 3.80116 hours remaining, 238.484375 MB of memory in use. ENERGY: 760200 3972.1055 20255.3208 14513.3939 244.1342 -202995.3595 2121.6954 0.0000 0.0000 52213.7394 -109674.9704 300.0731 -161888.7097 -109307.2084 298.4055 -258.2953 -223.6433 762149.8743 10.4895 10.5234 LDB: ============= START OF LOAD BALANCING ============== 2410.61 LDB: ============== END OF LOAD BALANCING =============== 2410.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2410.61 LDB: ============= START OF LOAD BALANCING ============== 2410.93 LDB: Largest compute 7070 load 0.036134 is 18.5% of average load 0.194975 LDB: Average compute 0.004419 is 2.3% of average load 0.194975 LDB: TIME 2410.94 LOAD: AVG 0.194975 MAX 0.214071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 2410.94 LOAD: AVG 0.194975 MAX 0.214071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.961 MB LDB: TIME 2410.94 LOAD: AVG 0.194975 MAX 0.214071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.961 MB LDB: ============== END OF LOAD BALANCING =============== 2410.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2410.94 PRESSURE: 760400 3.08486 109.092 -159.295 109.091 40.9949 18.9494 -159.293 18.9485 375.722 GPRESSURE: 760400 142.638 97.914 -47.9455 129.371 32.2823 31.7857 -135.913 47.6185 339.554 PRESSAVG: 760400 32.019 -30.8292 1.73712 -30.8292 18.2159 -19.7326 1.73714 -19.7326 19.5126 GPRESSAVG: 760400 32.0656 -28.9544 4.93877 -30.9168 18.3274 -20.4341 1.78826 -18.422 19.253 TIMING: 760400 CPU: 2398.81, 0.00331488/step Wall: 2398.81, 0.00331488/step, 3.90383 hours remaining, 235.960938 MB of memory in use. ENERGY: 760400 4027.8494 20409.3563 14445.8702 258.8674 -203491.6599 2706.7162 0.0000 0.0000 52202.7445 -109440.2560 300.0099 -161643.0005 -109067.2705 299.0179 139.9341 171.4912 759915.0696 23.2492 23.2154 PRESSURE: 760600 29.7368 98.2539 -73.2514 98.2538 -46.8231 287.408 -73.2516 287.409 -95.394 GPRESSURE: 760600 26.217 -15.5217 -49.2273 168.913 -39.3424 389.16 -24.8105 214.541 -29.3178 PRESSAVG: 760600 38.5728 -14.9299 9.36426 -14.9299 -41.5661 41.5496 9.36428 41.5497 8.8021 GPRESSAVG: 760600 39.1551 -15.237 7.02819 -14.1399 -42.4066 42.4744 7.47745 41.0926 8.79438 TIMING: 760600 CPU: 2399.45, 0.00322789/step Wall: 2399.45, 0.00322789/step, 3.8012 hours remaining, 235.960938 MB of memory in use. ENERGY: 760600 3988.0776 20567.8260 14483.7434 245.0362 -203477.0537 2700.3364 0.0000 0.0000 52254.7023 -109237.3317 300.3085 -161492.0340 -108886.1263 299.7891 -37.4935 -14.1478 760754.7488 1.9363 1.8476 PRESSURE: 760800 261.689 237.39 42.2144 237.39 -190.718 -19.5655 42.2137 -19.5646 -55.7737 GPRESSURE: 760800 241.662 87.3438 12.3798 198.05 -251.13 8.11321 -13.57 95.0264 98.9703 PRESSAVG: 760800 42.1203 -9.86009 -4.47526 -9.8601 -34.3729 35.5948 -4.47529 35.5949 25.9079 GPRESSAVG: 760800 41.7816 -11.3882 -3.84356 -11.8778 -34.3527 36.5586 -3.45016 36.9918 26.2249 TIMING: 760800 CPU: 2400.1, 0.00324172/step Wall: 2400.1, 0.00324172/step, 3.81731 hours remaining, 235.960938 MB of memory in use. ENERGY: 760800 3991.6128 20472.4768 14443.2167 250.8679 -202785.3905 2351.1671 0.0000 0.0000 52101.4867 -109174.5625 299.4280 -161276.0492 -108817.1508 299.3932 5.0659 29.8340 760521.0666 11.2184 11.2180 PRESSURE: 761000 280.451 13.9091 341.794 13.908 -11.0262 -185.361 341.794 -185.361 217.385 GPRESSURE: 761000 375.007 -60.9162 292.226 102.617 37.0553 -230.688 367.034 -128.858 161.674 PRESSAVG: 761000 89.2933 -32.3513 -5.73656 -32.3513 -73.7358 -58.9073 -5.73654 -58.9073 6.48495 GPRESSAVG: 761000 89.5776 -31.5782 -6.99189 -30.037 -72.713 -59.0062 -6.25064 -57.7278 4.77428 TIMING: 761000 CPU: 2400.74, 0.00319292/step Wall: 2400.74, 0.00319292/step, 3.75966 hours remaining, 235.960938 MB of memory in use. ENERGY: 761000 3979.2054 20417.2723 14547.8254 255.4773 -203200.6271 2545.6499 0.0000 0.0000 52193.1900 -109262.0069 299.9550 -161455.1969 -108893.0375 299.5038 162.2701 191.2453 759072.9158 7.3475 7.2130 PRESSURE: 761200 -162.342 -108.439 -9.55438 -108.437 -78.7587 37.5179 -9.55431 37.5184 -114.225 GPRESSURE: 761200 -91.5449 -139.586 93.302 3.84485 -45.6084 2.20045 167.589 2.78516 -131.064 PRESSAVG: 761200 13.9568 -22.3331 27.3626 -22.3331 -31.525 -56.3846 27.3627 -56.3846 -5.36414 GPRESSAVG: 761200 14.586 -22.7619 29.3863 -24.3546 -32.1912 -58.4439 28.0175 -59.6166 -5.74069 TIMING: 761200 CPU: 2401.38, 0.00319345/step Wall: 2401.38, 0.00319345/step, 3.76011 hours remaining, 235.960938 MB of memory in use. ENERGY: 761200 3970.5226 20380.1868 14531.1891 250.2977 -203173.0915 2741.6948 0.0000 0.0000 52117.3619 -109181.8385 299.5192 -161299.2004 -108822.2770 299.4559 -118.4419 -89.4059 761626.7242 -7.6441 -7.7820 PRESSURE: 761400 -94.6511 -271.86 -241.82 -271.86 -101.39 16.0743 -241.819 16.0746 -173.109 GPRESSURE: 761400 35.0964 -231.882 -90.2577 -305.141 -189.923 19.5105 -209.861 117.234 -118.618 PRESSAVG: 761400 -17.2983 -41.3195 -7.53961 -41.3195 -5.22461 -45.1229 -7.53963 -45.1229 -6.97779 GPRESSAVG: 761400 -17.8181 -40.7403 -8.01849 -41.6119 -5.94369 -43.6574 -6.79035 -44.3863 -5.92377 TIMING: 761400 CPU: 2402.01, 0.00318245/step Wall: 2402.01, 0.00318245/step, 3.74698 hours remaining, 235.960938 MB of memory in use. ENERGY: 761400 3983.9919 20515.6865 14468.7151 251.4159 -202763.4575 2295.0942 0.0000 0.0000 52123.2168 -109125.3370 299.5528 -161248.5538 -108769.3035 299.7681 -123.0500 -91.1482 761522.4592 -9.8336 -9.8952 PRESSURE: 761600 -170.026 61.7006 20.5219 61.7008 206.41 165.606 20.5213 165.606 -44.676 GPRESSURE: 761600 -72.0606 94.4198 90.4193 106.517 214.644 97.1118 -124.739 165.213 -67.1753 PRESSAVG: 761600 61.5648 -36.6799 -29.5647 -36.6799 -57.2984 -54.007 -29.5646 -54.007 19.8396 GPRESSAVG: 761600 61.6459 -36.8585 -30.4053 -35.5735 -56.8351 -53.8502 -30.4913 -54.1331 19.0098 TIMING: 761600 CPU: 2402.65, 0.00316889/step Wall: 2402.65, 0.00316889/step, 3.73083 hours remaining, 235.960938 MB of memory in use. ENERGY: 761600 3907.6859 20494.1106 14441.3447 246.4404 -202792.0532 2129.9261 0.0000 0.0000 52176.0953 -109396.4502 299.8567 -161572.5455 -109029.6023 298.9834 -2.7640 25.1359 760836.5988 8.0353 7.9402 PRESSURE: 761800 319.327 168.503 46.1734 168.502 93.6673 -25.7299 46.1731 -25.7296 -95.003 GPRESSURE: 761800 222.429 0.102563 19.1682 95.0564 190.326 -57.7889 -76.5655 39.5033 7.3686 PRESSAVG: 761800 47.5987 -19.6269 -2.7454 -19.6269 -36.2218 -21.8349 -2.74542 -21.835 -22.345 GPRESSAVG: 761800 46.4915 -20.1025 -3.02309 -20.7323 -35.3299 -22.5465 -2.66045 -22.3902 -21.9784 TIMING: 761800 CPU: 2403.29, 0.00319424/step Wall: 2403.29, 0.00319424/step, 3.76051 hours remaining, 235.960938 MB of memory in use. ENERGY: 761800 4029.9449 20532.5360 14489.0056 232.3018 -202656.0871 2406.5492 0.0000 0.0000 51783.6211 -109182.1285 297.6012 -160965.7496 -108823.0865 299.2605 105.9971 140.0411 761431.0194 -3.6560 -3.6056 PRESSURE: 762000 -53.8043 -52.7212 67.942 -52.7211 -227.014 -57.0405 67.9424 -57.0406 129.769 GPRESSURE: 762000 46.7953 47.5742 63.3164 -9.81784 -209.9 -10.5405 62.1856 -72.8021 108.621 PRESSAVG: 762000 25.6821 -32.762 -0.855641 -32.762 -20.8342 -18.313 -0.855646 -18.313 17.4832 GPRESSAVG: 762000 26.4162 -35.4482 -0.145193 -32.244 -20.875 -17.3272 -0.688453 -17.5906 16.377 TIMING: 762000 CPU: 2403.92, 0.00317759/step Wall: 2403.92, 0.00317759/step, 3.74073 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 762000 3909.2104 20437.5787 14550.0678 223.1711 -202852.3913 2339.1811 0.0000 0.0000 52305.1558 -109088.0265 300.5984 -161393.1823 -108723.7163 299.4436 -50.3497 -18.1609 761284.8231 7.4437 7.3061 PRESSURE: 762200 64.3126 -54.8025 -101.612 -54.8027 54.0492 -69.5079 -101.612 -69.5084 -101.06 GPRESSURE: 762200 140.592 -39.6751 -96.3462 10.9009 112.928 -32.847 -26.8159 11.7293 -151.346 PRESSAVG: 762200 41.7225 -40.3065 0.0500304 -40.3064 -63.6744 -14.2544 0.0499236 -14.2544 -8.688 GPRESSAVG: 762200 41.5066 -37.5948 0.12858 -40.1595 -64.1232 -16.288 -0.70448 -13.526 -8.18568 TIMING: 762200 CPU: 2404.56, 0.00320108/step Wall: 2404.56, 0.00320108/step, 3.7682 hours remaining, 235.960938 MB of memory in use. ENERGY: 762200 3918.1766 20537.8189 14412.6846 259.3352 -202930.5599 2532.7427 0.0000 0.0000 51946.2300 -109323.5719 298.5357 -161269.8019 -108967.1573 299.5121 5.7674 34.0577 762833.2476 -10.2133 -10.2674 PRESSURE: 762400 201.659 15.3039 -20.2364 15.3039 126.654 -77.7458 -20.2369 -77.7459 535.652 GPRESSURE: 762400 171.285 -73.0382 -76.5041 41.589 189.618 -169.892 34.2469 33.1094 575.184 PRESSAVG: 762400 13.1095 -8.47964 -18.4568 -8.47957 43.5311 -16.4071 -18.4568 -16.4071 27.5244 GPRESSAVG: 762400 13.4617 -7.10352 -20.0109 -9.95671 41.7577 -15.5233 -17.4516 -16.5401 28.2859 TIMING: 762400 CPU: 2405.21, 0.00323062/step Wall: 2405.21, 0.00323062/step, 3.8028 hours remaining, 235.960938 MB of memory in use. ENERGY: 762400 3990.9335 20569.0314 14500.6186 248.6947 -203493.0746 2820.8715 0.0000 0.0000 51982.6991 -109380.2260 298.7453 -161362.9250 -109029.1923 299.4165 287.9883 312.0291 760800.1788 28.0550 27.8351 PRESSURE: 762600 47.0451 -131.647 -196.138 -131.647 -90.8804 72.2765 -196.138 72.2757 -438.14 GPRESSURE: 762600 22.4386 -41.3327 -160.149 -110.771 -24.8412 104.181 -167.353 66.7701 -381.661 PRESSAVG: 762600 19.7531 9.5921 0.643089 9.59209 -3.34352 -21.4257 0.643041 -21.4257 -7.50027 GPRESSAVG: 762600 20.3998 8.28299 2.30208 10.9477 -3.67771 -19.8666 -0.642703 -21.843 -7.61163 TIMING: 762600 CPU: 2405.85, 0.00323023/step Wall: 2405.85, 0.00323023/step, 3.80216 hours remaining, 235.960938 MB of memory in use. ENERGY: 762600 4002.4861 20553.0697 14456.0704 242.4641 -202967.9186 2311.7284 0.0000 0.0000 51927.1363 -109474.9637 298.4260 -161402.1000 -109109.4023 298.8514 -160.6584 -128.0211 761847.3111 2.9698 3.0368 PRESSURE: 762800 100.386 -51.3427 -100.065 -51.3421 131.828 16.3032 -100.065 16.3028 78.4649 GPRESSURE: 762800 118.902 -108.882 -91.0271 -58.0849 208.163 88.1359 -9.25419 71.3877 72.2841 PRESSAVG: 762800 -36.9894 -41.7742 18.2802 -41.7742 -35.7666 0.182291 18.2801 0.182287 8.12316 GPRESSAVG: 762800 -37.1662 -42.4269 19.228 -42.7756 -34.4877 0.168929 20.3473 0.802065 7.16697 TIMING: 762800 CPU: 2406.49, 0.00318884/step Wall: 2406.49, 0.00318884/step, 3.75327 hours remaining, 235.960938 MB of memory in use. ENERGY: 762800 4018.7288 20526.4207 14473.3558 234.6455 -203832.8102 2953.5156 0.0000 0.0000 52229.7122 -109396.4315 300.1649 -161626.1438 -109035.1588 299.1725 103.5597 133.1165 761654.7792 -21.5443 -21.4957 PRESSURE: 763000 324.465 159.476 218.448 159.477 136.518 26.5935 218.448 26.5925 -57.9851 GPRESSURE: 763000 238.754 133.798 223.843 69.7547 251.287 -11.6795 250.019 125.464 -17.2432 PRESSAVG: 763000 -28.1309 -37.8571 27.0197 -37.8571 33.5507 -72.5012 27.0197 -72.5011 -21.6519 GPRESSAVG: 763000 -29.915 -37.1466 24.0964 -35.967 34.0416 -73.9299 25.6096 -70.1197 -20.5401 TIMING: 763000 CPU: 2407.14, 0.00322162/step Wall: 2407.14, 0.00322162/step, 3.79167 hours remaining, 235.960938 MB of memory in use. ENERGY: 763000 4025.3935 20671.8599 14479.7320 259.4575 -203239.1742 2640.3430 0.0000 0.0000 51922.8252 -109239.5631 298.4012 -161162.3883 -108874.6786 299.6082 134.3326 157.5994 761235.8641 -5.4107 -5.4712 PRESSURE: 763200 -315.277 -59.3749 160.737 -59.3747 16.8789 128.061 160.737 128.063 -315.505 GPRESSURE: 763200 -171.845 57.595 63.6486 31.2208 -56.6323 112.12 280.827 44.2303 -309.107 PRESSAVG: 763200 44.8095 -2.25306 17.9733 -2.25312 21.3423 -8.8362 17.9733 -8.83617 0.976958 GPRESSAVG: 763200 47.5456 -1.99443 19.458 -3.7003 19.9238 -8.96191 19.0925 -9.32227 -0.217636 TIMING: 763200 CPU: 2407.77, 0.00318447/step Wall: 2407.77, 0.00318447/step, 3.74776 hours remaining, 235.960938 MB of memory in use. ENERGY: 763200 3979.6117 20562.3876 14502.1454 241.9284 -203165.4028 2363.0632 0.0000 0.0000 52055.1726 -109461.0939 299.1618 -161516.2665 -109103.3137 299.4559 -204.6343 -179.1949 762867.0668 22.3763 22.4173 PRESSURE: 763400 18.4614 51.771 -20.9842 51.7704 -46.8942 108.276 -20.9838 108.276 -221.552 GPRESSURE: 763400 1.76469 -44.0203 34.8526 16.1957 -10.1166 35.143 -150.992 154.593 -156.146 PRESSAVG: 763400 -5.92038 -13.1588 16.3392 -13.1589 45.9601 -24.0929 16.3392 -24.0928 -20.6581 GPRESSAVG: 763400 -7.65123 -12.8848 15.3702 -13.2417 46.6231 -25.1583 16.7446 -25.8138 -19.6839 TIMING: 763400 CPU: 2408.41, 0.00319056/step Wall: 2408.41, 0.00319056/step, 3.75476 hours remaining, 235.960938 MB of memory in use. ENERGY: 763400 3990.2530 20443.3499 14516.7202 254.3915 -203287.2557 2545.4865 0.0000 0.0000 52052.2257 -109484.8288 299.1449 -161537.0545 -109126.5629 299.1668 -83.3281 -54.8327 762458.3440 6.4606 6.4293 PRESSURE: 763600 -75.7037 27.5281 -111.89 27.5289 -72.8189 18.5042 -111.89 18.5035 -454.469 GPRESSURE: 763600 -24.8478 49.1993 -64.7726 23.2875 -47.8153 12.483 -79.4401 -57.0673 -448.62 PRESSAVG: 763600 42.4511 -8.28446 -26.3338 -8.28441 -29.7422 33.404 -26.3338 33.404 -2.5684 GPRESSAVG: 763600 43.922 -6.97929 -26.6856 -7.48693 -31.1149 34.8978 -26.8093 32.8664 -3.16969 TIMING: 763600 CPU: 2409.05, 0.00318893/step Wall: 2409.05, 0.00318894/step, 3.75267 hours remaining, 235.960938 MB of memory in use. ENERGY: 763600 4012.9342 20308.9978 14498.4024 232.6486 -203291.7339 2473.1666 0.0000 0.0000 52341.6636 -109423.9208 300.8083 -161765.5843 -109055.7622 299.2887 -200.9973 -173.7611 762020.3437 3.3802 3.2125 PRESSURE: 763800 260.729 90.5136 -99.7523 90.5125 -64.06 98.849 -99.7524 98.8489 -65.7632 GPRESSURE: 763800 285.07 112.062 -177.022 18.3301 -8.47938 109.571 -39.6911 31.3334 -51.794 PRESSAVG: 763800 16.1839 5.57176 31.3983 5.57171 -17.2273 4.36398 31.3983 4.36402 6.06962 GPRESSAVG: 763800 15.0354 6.04717 31.9137 3.28387 -15.5714 3.88983 29.0665 2.54319 5.90928 TIMING: 763800 CPU: 2409.68, 0.0031721/step Wall: 2409.68, 0.0031721/step, 3.73268 hours remaining, 235.960938 MB of memory in use. ENERGY: 763800 4000.3443 20690.8007 14488.8718 242.5893 -203304.2969 2543.0467 0.0000 0.0000 52128.1051 -109210.5390 299.5809 -161338.6441 -108860.8110 299.3535 43.6354 74.9323 762595.2178 1.6754 1.7911 PRESSURE: 764000 -141.53 -55.5172 178.654 -55.5176 -1.48474 -127.789 178.654 -127.788 -107.056 GPRESSURE: 764000 -74.2643 -48.8073 87.4606 -37.8049 -13.671 -187.247 206.271 -2.86672 -81.3551 PRESSAVG: 764000 68.5358 28.3643 31.7917 28.3643 -51.6523 -15.753 31.7916 -15.7531 2.39652 GPRESSAVG: 764000 68.8279 26.6751 31.2446 29.7985 -53.4908 -16.6029 33.5888 -12.8015 3.86156 TIMING: 764000 CPU: 2410.32, 0.00317432/step Wall: 2410.32, 0.00317432/step, 3.73511 hours remaining, 235.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 764000 3988.9352 20572.7702 14540.6480 242.7350 -203198.7141 2503.8609 0.0000 0.0000 52206.8894 -109142.8753 300.0337 -161349.7647 -108778.4703 299.3327 -83.3569 -56.4301 763615.8845 6.4267 6.3995 PRESSURE: 764200 239.248 29.2194 18.0727 29.219 -400.222 3.56074 18.0724 3.56088 313.077 GPRESSURE: 764200 331.631 74.789 6.67908 59.3855 -358.248 87.3032 -98.821 -0.801773 276.244 PRESSAVG: 764200 3.4019 -24.1906 -10.8967 -24.1906 18.0597 -9.02706 -10.8967 -9.027 -8.73304 GPRESSAVG: 764200 3.25181 -22.9878 -8.71023 -23.7555 19.2267 -7.40374 -12.6342 -8.79219 -9.35031 TIMING: 764200 CPU: 2410.95, 0.00316732/step Wall: 2410.95, 0.00316732/step, 3.72671 hours remaining, 235.960938 MB of memory in use. ENERGY: 764200 3973.5961 20536.5456 14497.1584 250.0221 -203117.7358 2690.7119 0.0000 0.0000 52014.7000 -109155.0017 298.9292 -161169.7017 -108798.2470 299.9930 50.7009 83.2091 761932.4443 4.2429 4.3761 LDB: ============= START OF LOAD BALANCING ============== 2423.41 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2423.41 LDB: =============== DONE WITH MIGRATION ================ 2423.41 LDB: ============= START OF LOAD BALANCING ============== 2423.73 LDB: Largest compute 7034 load 0.036600 is 18.8% of average load 0.195014 LDB: Average compute 0.004406 is 2.3% of average load 0.195014 LDB: TIME 2423.73 LOAD: AVG 0.195014 MAX 0.213501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.984 MB LDB: TIME 2423.73 LOAD: AVG 0.195014 MAX 0.213501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: TIME 2423.73 LOAD: AVG 0.195014 MAX 0.213501 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: ============== END OF LOAD BALANCING =============== 2423.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2423.74 PRESSURE: 764400 545.614 -20.1365 -142.474 -20.1367 331.829 151.122 -142.474 151.122 186.76 GPRESSURE: 764400 566.326 -14.5566 -164.575 37.4001 437.204 185.999 -36.0445 140.57 151.781 PRESSAVG: 764400 4.5227 -13.1189 5.03609 -13.1189 35.8235 10.8543 5.03608 10.8544 20.0701 GPRESSAVG: 764400 4.60939 -12.931 4.79944 -13.9312 35.7929 10.628 5.82419 9.46436 19.6915 TIMING: 764400 CPU: 2411.6, 0.00323926/step Wall: 2411.6, 0.00323926/step, 3.81117 hours remaining, 236.527344 MB of memory in use. ENERGY: 764400 3992.9430 20542.6323 14531.2419 239.7464 -203700.7482 3058.3338 0.0000 0.0000 52247.1796 -109088.6713 300.2653 -161335.8509 -108734.0240 300.0603 354.7344 385.1039 759028.7174 20.1388 20.0313 PRESSURE: 764600 336.329 232.512 209.127 232.512 -36.7009 -7.69938 209.127 -7.69951 9.67226 GPRESSURE: 764600 395.324 203.58 270.455 237.916 59.1153 24.8483 171.007 18.9459 -36.1038 PRESSAVG: 764600 -6.46952 18.3669 -8.96236 18.3668 -0.191344 -16.4236 -8.9623 -16.4235 6.16422 GPRESSAVG: 764600 -5.15204 16.4585 -8.75983 17.0996 -1.2762 -15.3787 -7.72913 -14.9191 5.59813 TIMING: 764600 CPU: 2412.24, 0.00320948/step Wall: 2412.24, 0.00320948/step, 3.77596 hours remaining, 236.527344 MB of memory in use. ENERGY: 764600 4016.0954 20542.7068 14476.9786 243.6317 -203332.5870 2729.5388 0.0000 0.0000 52328.5424 -108995.0933 300.7329 -161323.6357 -108629.6936 300.0001 103.1002 139.4451 762634.3634 -0.1656 -0.2767 PRESSURE: 764800 -8.66004 -133.302 43.7761 -133.301 44.7108 -180.306 43.7757 -180.305 -127.368 GPRESSURE: 764800 -24.4599 -118.794 16.2303 -166.077 105.246 -84.8338 67.7113 -90.5416 -66.043 PRESSAVG: 764800 18.1332 41.1965 11.8759 41.1964 -27.7978 -26.1481 11.8759 -26.1481 3.78707 GPRESSAVG: 764800 18.239 42.4606 11.43 42.8863 -28.1064 -25.9125 10.0315 -27.2878 3.93421 TIMING: 764800 CPU: 2412.89, 0.00323431/step Wall: 2412.89, 0.00323431/step, 3.80499 hours remaining, 236.527344 MB of memory in use. ENERGY: 764800 3945.9861 20518.3206 14532.3772 249.6491 -202748.1101 2171.9223 0.0000 0.0000 52382.5843 -108947.2704 301.0434 -161329.8547 -108568.2193 300.3176 -30.4390 4.9144 762673.8421 -1.9592 -1.9777 PRESSURE: 765000 497.082 79.3204 82.3335 79.3199 -170.801 -8.16772 82.3333 -8.16681 307.182 GPRESSURE: 765000 506.497 153.01 48.1425 52.0519 -109.047 -108.802 76.479 -4.29728 316.941 PRESSAVG: 765000 29.5897 -22.1684 26.8489 -22.1685 -15.0376 9.70188 26.849 9.70186 20.7049 GPRESSAVG: 765000 28.1688 -23.1752 27.196 -21.1054 -14.4987 8.47108 26.9694 8.28608 21.3672 TIMING: 765000 CPU: 2413.53, 0.00319198/step Wall: 2413.53, 0.00319198/step, 3.75501 hours remaining, 236.527344 MB of memory in use. ENERGY: 765000 3951.9184 20494.8845 14547.8398 232.3132 -203073.1767 2553.6939 0.0000 0.0000 52205.5253 -109087.0017 300.0259 -161292.5270 -108717.0009 299.5618 211.1542 238.1304 760957.9113 11.7523 11.6791 PRESSURE: 765200 130.772 -22.617 14.5047 -22.6169 278.772 87.5297 14.5047 87.5299 46.4879 GPRESSURE: 765200 210.713 -67.7968 94.7061 -51.7388 243.655 81.2214 78.2242 139.146 67.1058 PRESSAVG: 765200 40.2963 -21.6575 -19.819 -21.6575 -8.41837 -11.3614 -19.8191 -11.3614 -5.02464 GPRESSAVG: 765200 41.9139 -20.2024 -21.2143 -23.3235 -9.78715 -10.3743 -17.0267 -10.0156 -5.41288 TIMING: 765200 CPU: 2414.17, 0.00319568/step Wall: 2414.17, 0.00319568/step, 3.75919 hours remaining, 236.527344 MB of memory in use. ENERGY: 765200 3993.4036 20622.5940 14515.4604 245.7044 -203081.3078 2562.2942 0.0000 0.0000 52141.8923 -108999.9589 299.6602 -161141.8512 -108637.9711 299.6879 152.0105 173.8247 762199.8613 8.9511 8.9046 PRESSURE: 765400 -31.9422 -17.2588 37.5052 -17.2584 35.439 -223.209 37.5057 -223.209 -123.782 GPRESSURE: 765400 46.8433 -44.9759 20.102 -71.0825 5.21029 -207.108 36.5158 -182.242 -70.0458 PRESSAVG: 765400 44.4161 -27.78 52.3722 -27.7799 -40.3611 -4.67723 52.3722 -4.67723 -4.1902 GPRESSAVG: 765400 43.5452 -31.1174 54.9851 -27.4887 -39.268 -4.13955 49.7202 -4.37455 -4.13117 TIMING: 765400 CPU: 2414.8, 0.00318531/step Wall: 2414.8, 0.00318531/step, 3.74681 hours remaining, 236.527344 MB of memory in use. ENERGY: 765400 3996.9743 20511.2604 14479.6700 250.8759 -203430.6031 2775.1266 0.0000 0.0000 52283.4498 -109133.2461 300.4737 -161416.6958 -108766.5876 299.7365 -40.0949 -5.9974 762964.8713 -0.0451 0.0487 PRESSURE: 765600 97.2942 -0.526932 -1.97878 -0.526057 2.52087 244.58 -1.97866 244.58 -290.923 GPRESSURE: 765600 293.169 -35.6818 17.0732 -104.96 -98.9399 142.194 92.5126 288.574 -302.688 PRESSAVG: 765600 30.2135 -20.585 42.3965 -20.5849 -3.6455 45.1975 42.3966 45.1975 6.13659 GPRESSAVG: 765600 30.9106 -19.3385 41.6099 -19.9587 -3.28418 43.4096 43.9042 44.4158 4.95712 TIMING: 765600 CPU: 2415.44, 0.0031787/step Wall: 2415.44, 0.0031787/step, 3.73886 hours remaining, 236.527344 MB of memory in use. ENERGY: 765600 3909.9105 20626.6723 14400.0116 238.9315 -202620.0237 2279.6933 0.0000 0.0000 51913.9888 -109250.8156 298.3504 -161164.8044 -108884.3933 300.3992 -63.7026 -36.1530 762344.1507 10.9015 10.8612 PRESSURE: 765800 156.435 23.8254 -20.7074 23.8254 -108.447 307.972 -20.7075 307.971 -57.7019 GPRESSURE: 765800 61.7233 -13.6352 -85.4122 38.0626 3.51615 300.324 4.14884 204.835 23.4396 PRESSAVG: 765800 32.0649 13.3198 -8.18708 13.3198 -26.003 57.2009 -8.18708 57.201 -20.5032 GPRESSAVG: 765800 30.922 13.777 -8.12953 12.4222 -25.9494 57.7615 -9.76445 59.2232 -19.6095 TIMING: 765800 CPU: 2416.08, 0.0032196/step Wall: 2416.08, 0.0032196/step, 3.78679 hours remaining, 236.527344 MB of memory in use. ENERGY: 765800 3952.6295 20597.5236 14492.7094 252.7642 -203183.9140 2382.7984 0.0000 0.0000 52383.5778 -109121.9111 301.0491 -161505.4889 -108762.9945 299.6504 -3.2381 29.5597 760911.6095 -4.8138 -4.8790 PRESSURE: 766000 367.097 -86.6161 -3.26369 -86.6152 135.376 23.8935 -3.26374 23.8937 414.116 GPRESSURE: 766000 444.555 108.757 -35.2749 -83.6775 166.158 30.2367 -52.253 54.7769 388.654 PRESSAVG: 766000 52.0266 -9.19971 -31.0581 -9.19962 -46.3125 16.0059 -31.0582 16.006 -1.26603 GPRESSAVG: 766000 53.5287 -10.1766 -31.7906 -6.43634 -46.2138 16.5018 -29.7087 13.6818 -2.77012 TIMING: 766000 CPU: 2416.72, 0.00319958/step Wall: 2416.72, 0.00319958/step, 3.76306 hours remaining, 236.527344 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: 766000 4004.1829 20710.4114 14376.8650 235.8655 -203443.0445 2820.2163 0.0000 0.0000 52127.4574 -109168.0460 299.5772 -161295.5034 -108805.1057 299.8782 305.5293 333.1219 759218.8176 1.4827 1.5149 PRESSURE: 766200 -164.308 -105.839 8.27389 -105.838 297.941 50.5921 8.27458 50.5927 180.067 GPRESSURE: 766200 -56.1349 -22.375 33.2475 -97.8625 249.802 125.367 127.725 -43.6662 203.215 PRESSAVG: 766200 40.4165 -35.1961 18.1162 -35.1962 -36.3013 15.0769 18.1162 15.0768 -17.359 GPRESSAVG: 766200 39.0272 -34.0155 17.8636 -35.4282 -36.7807 14.9621 17.1098 17.4206 -15.8241 TIMING: 766200 CPU: 2417.36, 0.0031643/step Wall: 2417.36, 0.0031643/step, 3.72139 hours remaining, 236.527344 MB of memory in use. ENERGY: 766200 3991.8263 20466.6406 14529.1129 252.4920 -202843.5807 2255.6756 0.0000 0.0000 51975.9244 -109371.9089 298.7064 -161347.8332 -109010.1551 299.5141 104.5669 132.2940 761551.5560 -4.4146 -4.5259 PRESSURE: 766400 334.791 107.804 97.0248 107.804 2.73497 97.547 97.0245 97.5471 -184.538 GPRESSURE: 766400 385.409 105.82 82.7358 106.946 -42.6172 166.251 93.3468 55.236 -90.8816 PRESSAVG: 766400 35.0906 -33.1747 -36.6021 -33.1748 -43.2538 -21.7763 -36.6021 -21.7764 0.390555 GPRESSAVG: 766400 35.2834 -34.4622 -36.2848 -33.7465 -43.0193 -21.7814 -35.3232 -23.7663 0.352497 TIMING: 766400 CPU: 2417.99, 0.00315409/step Wall: 2417.99, 0.00315409/step, 3.70921 hours remaining, 236.527344 MB of memory in use. ENERGY: 766400 3910.6518 20484.6379 14475.4900 230.5336 -203333.2347 2529.9594 0.0000 0.0000 52239.2851 -109462.6770 300.2199 -161701.9621 -109094.3501 299.3168 50.9961 83.9699 760669.0089 -2.5909 -2.4612 PRESSURE: 766600 -16.4047 244.864 -194.433 244.863 -37.4083 39.4924 -194.434 39.4926 127.222 GPRESSURE: 766600 -108.569 232.412 -174.814 71.8271 72.5995 -14.865 -318.842 76.062 199.755 PRESSAVG: 766600 17.316 0.655241 -26.8655 0.655246 -32.7137 18.6009 -26.8655 18.6008 3.03738 GPRESSAVG: 766600 16.5653 3.02084 -27.2507 -0.681435 -32.9355 18.9944 -26.3234 19.7315 3.94379 TIMING: 766600 CPU: 2418.62, 0.00316852/step Wall: 2418.62, 0.00316852/step, 3.72601 hours remaining, 236.527344 MB of memory in use. ENERGY: 766600 3980.8703 20578.1478 14480.6192 254.2438 -203370.8695 2697.7355 0.0000 0.0000 52014.8987 -109364.3541 298.9303 -161379.2529 -109010.8284 299.2981 24.4697 54.5953 761166.5745 -4.1201 -4.1421 PRESSURE: 766800 -1.42499 -138.382 93.3687 -138.382 -56.5928 86.0911 93.3685 86.0892 -233.083 GPRESSURE: 766800 48.6355 -120.758 87.568 -216.746 -88.1886 132.232 53.8982 166.725 -167.171 PRESSAVG: 766800 49.3191 -95.0226 0.942047 -95.0225 -36.0325 -31.0611 0.941989 -31.0612 -6.71727 GPRESSAVG: 766800 49.7084 -94.8794 0.852776 -95.0538 -36.0834 -30.4332 -0.301253 -27.3748 -7.65212 TIMING: 766800 CPU: 2419.25, 0.00315495/step Wall: 2419.25, 0.00315495/step, 3.70987 hours remaining, 236.527344 MB of memory in use. ENERGY: 766800 4016.7467 20373.8086 14514.1010 272.7700 -203069.7548 2438.3781 0.0000 0.0000 52101.1029 -109352.8475 299.4258 -161453.9503 -108981.5935 299.3582 -97.0335 -68.9080 762969.2076 2.1898 1.9910 PRESSURE: 767000 -73.2086 -66.5789 -41.7073 -66.5786 -229.337 110.167 -41.7068 110.167 -262.961 GPRESSURE: 767000 0.0879192 -26.2339 -54.6402 -63.7487 -231.267 108.564 11.9778 64.7862 -257.117 PRESSAVG: 767000 -1.85805 34.0713 61.4919 34.0712 -25.0711 -43.2243 61.4919 -43.2244 -2.0281 GPRESSAVG: 767000 -2.13992 32.7301 61.8746 33.7374 -23.9477 -43.3753 61.9644 -44.6917 -2.47056 TIMING: 767000 CPU: 2419.89, 0.00320778/step Wall: 2419.89, 0.00320778/step, 3.77182 hours remaining, 236.527344 MB of memory in use. ENERGY: 767000 4079.7438 20658.8291 14470.3140 244.9768 -203475.3267 2628.0540 0.0000 0.0000 52000.7945 -109392.6146 298.8493 -161393.4091 -109039.3722 299.6215 -188.5023 -162.7652 761345.8907 -9.6524 -9.5194 PRESSURE: 767200 -232.667 -129.216 -180.054 -129.215 -252.872 -86.7971 -180.054 -86.7975 -438.617 GPRESSURE: 767200 -137.526 -108.439 -219.127 -164.816 -220.389 -130.997 -178.506 -106.547 -497.115 PRESSAVG: 767200 -39.7294 -10.3023 27.1212 -10.3023 40.9374 -79.2547 27.1212 -79.2546 -1.79495 GPRESSAVG: 767200 -39.6878 -8.80885 26.3642 -9.82206 39.688 -80.1032 29.4606 -79.4647 -0.585114 TIMING: 767200 CPU: 2420.54, 0.00321241/step Wall: 2420.54, 0.00321241/step, 3.77708 hours remaining, 236.527344 MB of memory in use. ENERGY: 767200 4007.3937 20494.0227 14462.9502 243.5932 -203168.6733 2382.3411 0.0000 0.0000 52146.2880 -109432.0845 299.6854 -161578.3725 -109070.8994 299.3491 -308.0518 -285.0099 761883.5982 -0.1956 -0.1950 PRESSURE: 767400 -106.85 -2.3628 184.925 -2.36335 11.4095 -197.21 184.924 -197.21 187.917 GPRESSURE: 767400 8.79746 39.4757 182.427 -30.1393 -24.9253 -122.623 -15.0444 -195.599 200.615 PRESSAVG: 767400 57.4906 -28.5796 -6.81834 -28.5796 -3.75341 13.7008 -6.81841 13.7008 4.59108 GPRESSAVG: 767400 58.5046 -32.0903 -6.77383 -27.3578 -4.09752 13.0675 -8.76441 11.2654 4.29211 TIMING: 767400 CPU: 2421.18, 0.00320457/step Wall: 2421.18, 0.00320457/step, 3.76768 hours remaining, 236.527344 MB of memory in use. ENERGY: 767400 3983.9593 20337.3918 14455.4342 237.4252 -202885.0069 2336.2695 0.0000 0.0000 51969.4137 -109565.1133 298.6689 -161534.5270 -109207.7759 298.8676 30.8255 61.4959 761116.5589 19.4428 19.5664 PRESSURE: 767600 -106.404 53.5009 -128.946 53.5009 -154.539 -83.9982 -128.947 -83.9989 -406.764 GPRESSURE: 767600 -97.8841 35.1362 -123.61 148.204 -98.3344 -120.811 -129.257 13.4008 -378.25 PRESSAVG: 767600 11.7242 -6.26142 9.57163 -6.26147 2.8951 1.17502 9.57167 1.175 2.44709 GPRESSAVG: 767600 11.2393 -3.5886 10.5181 -10.3642 4.30952 3.62106 8.61962 2.71562 1.2558 TIMING: 767600 CPU: 2421.83, 0.00324158/step Wall: 2421.83, 0.00324158/step, 3.81102 hours remaining, 236.527344 MB of memory in use. ENERGY: 767600 4019.9388 20373.6138 14467.9006 258.7547 -203115.4594 2292.2044 0.0000 0.0000 52362.5979 -109340.4492 300.9286 -161703.0471 -108975.5015 299.0443 -222.5691 -191.4896 760018.3011 5.6888 5.6016 PRESSURE: 767800 -106.984 -43.8874 6.47861 -43.8878 -292.031 41.5886 6.47906 41.5895 -116.769 GPRESSURE: 767800 -83.7279 -123.063 0.841964 -39.7226 -223.277 100.276 41.8703 65.239 -125.453 PRESSAVG: 767800 -10.5391 -12.8585 21.746 -12.8584 4.93004 -13.0161 21.7461 -13.0161 -0.231914 GPRESSAVG: 767800 -10.9683 -12.1145 21.6 -9.70666 4.27213 -14.907 20.4844 -12.0878 0.543968 TIMING: 767800 CPU: 2422.47, 0.00324808/step Wall: 2422.47, 0.00324808/step, 3.81848 hours remaining, 236.527344 MB of memory in use. ENERGY: 767800 4027.6414 20451.1897 14482.4677 243.2294 -203079.6313 2451.0069 0.0000 0.0000 51993.0462 -109431.0502 298.8048 -161424.0963 -109063.4526 299.0620 -171.9279 -144.1527 759862.4736 -1.9470 -2.0507 PRESSURE: 768000 -27.1343 115.13 225.869 115.131 68.8702 -213.866 225.869 -213.865 568.918 GPRESSURE: 768000 9.82614 91.2961 176.701 27.7153 143.775 -251.249 174.655 -100.631 527.699 PRESSAVG: 768000 -2.25369 -25.6754 18.5171 -25.6753 33.2571 -35.6851 18.5171 -35.685 16.5624 GPRESSAVG: 768000 -1.27715 -28.3541 18.1556 -27.7469 33.2963 -35.2087 21.3626 -36.5839 15.7266 TIMING: 768000 CPU: 2423.12, 0.00323444/step Wall: 2423.12, 0.00323444/step, 3.80227 hours remaining, 236.527344 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: 768000 3958.0808 20527.1631 14501.9138 252.0336 -203318.7105 2630.3765 0.0000 0.0000 52039.2370 -109409.9056 299.0702 -161449.1426 -109050.8466 299.0151 203.5513 227.1002 759636.1935 15.8553 15.9153 PRESSURE: 768200 -173.659 15.5509 34.2403 15.5509 -194.32 -43.6524 34.2404 -43.6532 -53.5498 GPRESSURE: 768200 -189.542 -36.812 12.5983 6.46879 -97.707 18.4424 96.8754 5.66009 -73.9487 PRESSAVG: 768200 35.1909 -17.2928 45.0706 -17.2928 -30.1418 -1.24881 45.0706 -1.24889 -7.03767 GPRESSAVG: 768200 33.7746 -19.4395 44.2588 -15.8992 -30.3022 -0.476259 45.7824 -0.181611 -5.4426 TIMING: 768200 CPU: 2423.76, 0.0031879/step Wall: 2423.76, 0.0031879/step, 3.74737 hours remaining, 236.527344 MB of memory in use. ENERGY: 768200 3987.1928 20502.3773 14434.4080 250.6391 -202953.3330 2209.0784 0.0000 0.0000 52109.4419 -109460.1955 299.4737 -161569.6374 -109086.8797 298.9991 -140.5095 -120.3993 759558.2362 -0.6629 -0.6567 LDB: ============= START OF LOAD BALANCING ============== 2436.21 LDB: ============== END OF LOAD BALANCING =============== 2436.21 LDB: =============== DONE WITH MIGRATION ================ 2436.21 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2436.54 LDB: Largest compute 7025 load 0.036398 is 18.7% of average load 0.195039 LDB: Average compute 0.004416 is 2.3% of average load 0.195039 LDB: TIME 2436.54 LOAD: AVG 0.195039 MAX 0.211716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 2436.54 LOAD: AVG 0.195039 MAX 0.211716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: TIME 2436.54 LOAD: AVG 0.195039 MAX 0.211716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: ============== END OF LOAD BALANCING =============== 2436.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2436.55 PRESSURE: 768400 169.198 49.1202 140.42 49.1199 4.84999 -132.733 140.421 -132.734 382.341 GPRESSURE: 768400 253.761 18.7358 74.7492 38.6313 51.3889 -185.346 220.056 -74.0817 343.785 PRESSAVG: 768400 22.5808 6.95184 -3.89551 6.95182 -21.5109 12.8496 -3.89554 12.8497 5.44232 GPRESSAVG: 768400 23.3437 9.25067 -2.82516 7.22293 -21.6353 11.3518 -7.2495 12.0669 4.74567 TIMING: 768400 CPU: 2424.41, 0.00325745/step Wall: 2424.41, 0.00325745/step, 3.82896 hours remaining, 236.781250 MB of memory in use. ENERGY: 768400 3881.6416 20556.6703 14417.6947 254.2392 -203408.9859 2538.9825 0.0000 0.0000 52173.6584 -109586.0992 299.8427 -161759.7576 -109217.8767 298.7995 185.4628 216.3117 758994.2497 2.1707 2.1513 PRESSURE: 768600 42.5152 135.524 -146.851 135.524 103.86 140.816 -146.852 140.815 46.0247 GPRESSURE: 768600 3.68219 133.269 -74.8403 7.57826 166.518 10.6536 -45.3952 240.732 122.134 PRESSAVG: 768600 19.3525 0.41811 3.41581 0.418025 -6.78537 14.8656 3.4158 14.8656 -19.1694 GPRESSAVG: 768600 18.2841 1.14866 2.39884 1.43751 -5.35414 14.0961 6.36609 15.9923 -19.677 TIMING: 768600 CPU: 2425.06, 0.00322791/step Wall: 2425.06, 0.00322791/step, 3.79405 hours remaining, 236.984375 MB of memory in use. ENERGY: 768600 3934.6799 20696.5029 14427.6249 245.6568 -203350.2298 2242.2146 0.0000 0.0000 52025.0401 -109778.5106 298.9886 -161803.5507 -109410.1866 299.0323 64.1333 97.4447 757229.7794 -2.2008 -2.2490 PRESSURE: 768800 59.1295 -166.015 14.3863 -166.015 -168.117 -343.573 14.3858 -343.572 -18.8545 GPRESSURE: 768800 88.595 -162.083 -9.15201 -229.413 -140.895 -370.583 -9.09042 -290.507 18.0478 PRESSAVG: 768800 0.350378 11.3336 3.60791 11.3336 -4.31625 -14.4589 3.60792 -14.4588 10.4056 GPRESSAVG: 768800 0.749469 11.7692 5.80412 9.38249 -4.73715 -13.3435 3.06734 -14.2563 10.4373 TIMING: 768800 CPU: 2425.7, 0.0032122/step Wall: 2425.7, 0.0032122/step, 3.77541 hours remaining, 237.187500 MB of memory in use. ENERGY: 768800 3932.7042 20587.8799 14481.2091 269.4874 -203334.9793 2387.4115 0.0000 0.0000 51890.4233 -109785.8638 298.2150 -161676.2871 -109417.2941 298.8478 -42.6139 -11.4175 759189.6721 2.1466 2.1499 PRESSURE: 769000 -334.804 -128.789 -60.637 -128.79 -311.601 -328.05 -60.6369 -328.051 -193.698 GPRESSURE: 769000 -317.529 44.0871 -149.235 -50.2346 -289.583 -291.879 -77.1727 -375.233 -135.364 PRESSAVG: 769000 -7.75365 -7.33074 9.99254 -7.33078 27.4211 -28.6518 9.99255 -28.6518 -0.795346 GPRESSAVG: 769000 -6.30132 -8.00571 6.21147 -5.92143 25.7729 -27.4456 11.5163 -29.7685 -0.223661 TIMING: 769000 CPU: 2426.34, 0.00319965/step Wall: 2426.34, 0.00319965/step, 3.76048 hours remaining, 237.187500 MB of memory in use. ENERGY: 769000 3994.5985 20445.7615 14519.5010 245.9641 -203023.7141 2230.8206 0.0000 0.0000 51505.9177 -110081.1508 296.0052 -161587.0685 -109721.5659 298.3377 -280.0347 -247.4920 759866.3704 6.2907 6.4160 PRESSURE: 769200 -167.791 21.714 -134.293 21.7139 323.92 -54.7614 -134.293 -54.76 88.3266 GPRESSURE: 769200 -132.214 16.9119 -111.391 -9.80046 311.623 -86.9455 -121.731 -69.2999 170.642 PRESSAVG: 769200 -44.1085 -2.54014 -23.945 -2.54008 -9.60278 -58.1102 -23.9451 -58.1102 21.5105 GPRESSAVG: 769200 -44.7772 -2.15402 -23.3743 -0.149518 -8.52942 -58.1005 -25.1325 -58.7373 20.8916 TIMING: 769200 CPU: 2426.98, 0.00319371/step Wall: 2426.98, 0.00319371/step, 3.75332 hours remaining, 237.187500 MB of memory in use. ENERGY: 769200 4008.8113 20420.6390 14401.5261 230.6374 -203337.5237 2509.1276 0.0000 0.0000 51845.0964 -109921.6859 297.9545 -161766.7823 -109562.2986 298.4199 81.4854 116.6835 759653.0534 -10.7336 -10.8050 PRESSURE: 769400 -64.7932 -33.9394 -88.0073 -33.9389 -322.661 -45.5373 -88.0074 -45.5369 6.50441 GPRESSURE: 769400 -67.4194 26.8091 -8.61348 -156.43 -229.236 -34.5428 -58.2542 -66.2962 11.9221 PRESSAVG: 769400 -10.11 -21.1834 17.8958 -21.1833 37.7984 -96.4019 17.8959 -96.402 10.0379 GPRESSAVG: 769400 -8.71238 -23.2032 20.4796 -22.1089 36.2042 -96.9491 18.5543 -97.5065 9.9525 TIMING: 769400 CPU: 2427.62, 0.00322069/step Wall: 2427.62, 0.00322069/step, 3.78485 hours remaining, 237.187500 MB of memory in use. ENERGY: 769400 4013.6397 20483.2754 14431.2829 251.0977 -203814.1607 2644.0609 0.0000 0.0000 52177.4331 -109813.3709 299.8644 -161990.8040 -109441.1998 298.2462 -126.9834 -94.9110 760094.1738 12.5754 12.4814 PRESSURE: 769600 -225.949 198.937 44.7698 198.937 -212.4 -308.709 44.7698 -308.71 17.8165 GPRESSURE: 769600 -113.39 27.2053 2.6727 277.295 -185.725 -299.661 -138.734 -292.007 -30.5055 PRESSAVG: 769600 7.49364 21.9423 16.0075 21.9423 3.30933 -61.8805 16.0075 -61.8806 9.07856 GPRESSAVG: 769600 4.67154 22.6466 15.2131 19.4973 4.11074 -62.1314 14.8855 -59.3651 10.457 TIMING: 769600 CPU: 2428.26, 0.00317986/step Wall: 2428.26, 0.00317986/step, 3.73669 hours remaining, 237.187500 MB of memory in use. ENERGY: 769600 4023.0741 20427.0427 14452.6397 253.1506 -203258.9128 2487.0624 0.0000 0.0000 51896.9956 -109718.9478 298.2527 -161615.9434 -109358.7177 298.6117 -140.1775 -109.8736 759510.9946 6.6272 6.4131 PRESSURE: 769800 204.763 -142.925 11.8545 -142.925 -1.52184 72.7405 11.8548 72.7402 604.521 GPRESSURE: 769800 276.202 -36.5799 -52.7274 -94.719 38.9746 84.137 112.889 46.043 598.089 PRESSAVG: 769800 -5.75899 17.6209 69.065 17.6208 16.6126 -82.2306 69.065 -82.2307 -5.2839 GPRESSAVG: 769800 -4.60823 18.6749 69.4085 19.7562 17.3513 -82.4462 68.4098 -81.9108 -7.03724 TIMING: 769800 CPU: 2428.89, 0.00317534/step Wall: 2428.89, 0.00317534/step, 3.7312 hours remaining, 237.187500 MB of memory in use. ENERGY: 769800 4034.9160 20278.8403 14444.1585 247.6665 -203926.6381 3013.2097 0.0000 0.0000 52337.2123 -109570.6348 300.7827 -161907.8471 -109203.4288 298.7828 269.2541 304.4220 758757.2885 1.8566 1.9020 PRESSURE: 770000 -148.125 217.342 126.821 217.341 -499.201 43.9467 126.82 43.947 -483.89 GPRESSURE: 770000 -145.556 73.6478 53.8527 288.218 -443.587 63.1628 173.482 -7.06844 -446.655 PRESSAVG: 770000 26.5317 23.145 50.809 23.145 -8.41942 -17.7701 50.809 -17.7701 -4.01927 GPRESSAVG: 770000 26.4217 24.0935 49.4285 24.112 -9.34565 -17.5425 53.2959 -20.8113 -2.56155 TIMING: 770000 CPU: 2429.53, 0.00318561/step Wall: 2429.53, 0.00318561/step, 3.74309 hours remaining, 237.187500 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: 770000 4026.4030 20545.9516 14461.0596 255.5728 -203262.7352 2447.9422 0.0000 0.0000 51892.4093 -109633.3967 298.2264 -161525.8060 -109272.2131 299.0214 -377.0720 -345.2664 761425.2362 4.6977 4.8382 PRESSURE: 770200 -203.352 -72.6985 47.082 -72.6989 -131.828 -145.665 47.083 -145.666 -104.639 GPRESSURE: 770200 -122.731 -66.6322 74.3589 -104.398 -119.941 -186.893 38.5509 58.8996 -107.494 PRESSAVG: 770200 -13.3188 -36.8045 19.2581 -36.8045 17.4515 -33.194 19.2581 -33.194 -4.40974 GPRESSAVG: 770200 -13.4483 -37.6028 19.8054 -38.0541 18.0534 -33.9501 17.1982 -29.5367 -4.74501 TIMING: 770200 CPU: 2430.17, 0.00319798/step Wall: 2430.17, 0.00319798/step, 3.75745 hours remaining, 237.187500 MB of memory in use. ENERGY: 770200 3911.5098 20451.2380 14475.4193 262.8266 -203385.1649 2549.0041 0.0000 0.0000 52139.5007 -109595.6663 299.6464 -161735.1670 -109235.9484 298.9580 -146.6066 -116.7223 762162.3245 -0.0923 -0.0466 PRESSURE: 770400 -342.993 -60.8143 -248.25 -60.8137 242.164 -225.567 -248.25 -225.566 -374.507 GPRESSURE: 770400 -278.732 -3.05844 -284.193 0.830656 191.711 -178.951 -34.0225 -233.613 -308.928 PRESSAVG: 770400 -2.14833 -33.0517 -6.52309 -33.0516 56.5278 -16.0018 -6.52309 -16.0018 2.84003 GPRESSAVG: 770400 -1.26161 -34.1657 -7.42575 -33.7518 56.1393 -14.6884 -3.50635 -17.0198 2.4655 TIMING: 770400 CPU: 2430.81, 0.00320078/step Wall: 2430.81, 0.00320078/step, 3.76056 hours remaining, 237.187500 MB of memory in use. ENERGY: 770400 4070.5854 20576.3892 14455.0445 257.2361 -203321.5481 2582.8521 0.0000 0.0000 51686.8259 -109692.6150 297.0449 -161379.4409 -109332.8024 298.7147 -158.4453 -131.9830 762115.3893 19.0732 19.1144 PRESSURE: 770600 146.582 -312.747 -371.896 -312.747 -341.319 -149.57 -371.896 -149.571 -401.708 GPRESSURE: 770600 186.119 -239.52 -391.345 -326.782 -317.517 -250.801 -171.649 -68.0582 -377.446 PRESSAVG: 770600 -34.2333 0.626584 -9.31473 0.626596 16.3698 2.10105 -9.31478 2.101 16.2357 GPRESSAVG: 770600 -35.2312 2.29489 -7.0181 0.575052 18.5287 0.903097 -10.8023 1.40536 15.5754 TIMING: 770600 CPU: 2431.45, 0.00318506/step Wall: 2431.45, 0.00318506/step, 3.74192 hours remaining, 237.187500 MB of memory in use. ENERGY: 770600 4081.3307 20589.7509 14519.1596 253.4844 -203420.5731 2416.4535 0.0000 0.0000 51905.8957 -109654.4983 298.3039 -161560.3940 -109296.6761 298.8709 -198.8150 -169.6150 759907.3224 -0.5426 -0.3757 PRESSURE: 770800 -203.361 -29.6027 76.0122 -29.6015 125.869 88.6088 76.0128 88.6088 187.06 GPRESSURE: 770800 -226.587 -103.395 118.693 -56.6548 200.049 88.9445 -30.7695 -22.0981 219.926 PRESSAVG: 770800 17.4554 33.2716 3.63273 33.2716 4.2966 33.3363 3.63273 33.3363 -25.421 GPRESSAVG: 770800 18.383 33.527 2.69306 32.8531 2.83487 33.9119 2.15094 33.8796 -24.1314 TIMING: 770800 CPU: 2432.08, 0.00318299/step Wall: 2432.08, 0.00318299/step, 3.73931 hours remaining, 237.187500 MB of memory in use. ENERGY: 770800 4046.5897 20569.0871 14426.0270 248.1170 -203270.4331 2514.9555 0.0000 0.0000 51954.3099 -109511.3470 298.5821 -161465.6568 -109164.4117 299.0444 36.5228 64.4628 761397.8991 -1.2230 -0.9712 PRESSURE: 771000 163.321 132.211 177.699 132.21 -100.475 219.884 177.699 219.884 58.5627 GPRESSURE: 771000 135.695 91.4881 97.2613 49.0319 -113.836 297.159 125.826 70.5577 160.415 PRESSAVG: 771000 -15.9576 47.8936 12.0298 47.8936 -3.8444 18.4888 12.0298 18.4888 9.12954 GPRESSAVG: 771000 -14.7962 46.4679 11.8397 47.5064 -3.41698 18.1682 12.8261 17.2806 8.07701 TIMING: 771000 CPU: 2432.72, 0.00318282/step Wall: 2432.72, 0.00318282/step, 3.73893 hours remaining, 237.187500 MB of memory in use. ENERGY: 771000 4010.7658 20639.3879 14486.6861 235.6696 -203503.1283 2629.0449 0.0000 0.0000 51703.5522 -109798.0218 297.1410 -161501.5740 -109442.9589 299.0934 40.4695 60.7581 760868.4618 -3.5575 -3.3787 PRESSURE: 771200 -141.275 243.631 -204.18 243.629 -350.33 12.2065 -204.181 12.2057 -269.988 GPRESSURE: 771200 -167.848 228.454 -224.976 237.926 -295.509 24.3975 -128.315 16.5849 -242.454 PRESSAVG: 771200 16.6131 3.87258 -27.4467 3.87257 -24.7831 26.0061 -27.4467 26.0061 -5.1553 GPRESSAVG: 771200 15.2538 4.72781 -28.0845 4.64633 -26.1301 26.9093 -28.7906 27.5696 -3.38448 TIMING: 771200 CPU: 2433.36, 0.00320158/step Wall: 2433.36, 0.00320158/step, 3.76079 hours remaining, 237.187500 MB of memory in use. ENERGY: 771200 3972.7126 20432.6118 14465.5497 249.5606 -203084.9393 2336.1338 0.0000 0.0000 52174.8620 -109453.5088 299.8496 -161628.3708 -109090.1903 298.9509 -253.8642 -235.2702 762168.4759 -4.4417 -4.7536 PRESSURE: 771400 -187.889 -209.658 -191.521 -209.658 -168.833 24.0259 -191.52 24.0257 249.665 GPRESSURE: 771400 -128.408 -167.761 -210.923 -193.121 -77.3251 17.5117 -159.966 -166.116 190.234 PRESSAVG: 771400 13.4072 -3.70364 -35.5813 -3.70364 -14.5905 3.69122 -35.5813 3.69124 41.566 GPRESSAVG: 771400 13.6604 -4.26429 -34.8389 -4.53583 -13.8196 5.37749 -34.98 2.99206 40.6411 TIMING: 771400 CPU: 2434, 0.0031892/step Wall: 2434, 0.0031892/step, 3.74607 hours remaining, 237.187500 MB of memory in use. ENERGY: 771400 3887.8097 20586.9542 14560.1240 251.5040 -203077.5963 2379.5338 0.0000 0.0000 52046.2728 -109365.3979 299.1106 -161411.6706 -109009.1635 299.1984 -35.6856 -5.1664 761822.3038 13.4609 13.4940 PRESSURE: 771600 253.071 -360.126 104.115 -360.126 -24.6964 -24.9014 104.114 -24.9014 -122.023 GPRESSURE: 771600 274.882 -328.43 163.105 -350.267 -23.0644 -62.999 72.2858 -32.5008 -60.0882 PRESSAVG: 771600 -43.6384 -97.0181 24.5242 -97.018 25.4794 1.249 24.5242 1.24897 1.18602 GPRESSAVG: 771600 -43.344 -95.9867 25.7387 -96.2641 25.2851 -0.432296 25.7436 -0.618033 1.62374 TIMING: 771600 CPU: 2434.64, 0.00319446/step Wall: 2434.64, 0.00319446/step, 3.75207 hours remaining, 237.187500 MB of memory in use. ENERGY: 771600 3982.7449 20528.2671 14483.2762 244.2010 -203158.6881 2355.0746 0.0000 0.0000 52113.5820 -109451.5422 299.4975 -161565.1242 -109085.2030 299.0297 35.4508 63.9096 760701.7068 -5.6577 -5.4784 PRESSURE: 771800 -241.567 -96.7927 183.733 -96.7925 -60.5993 -132.492 183.733 -132.492 -195.658 GPRESSURE: 771800 -222.276 7.83926 213.016 -145.688 56.8626 -47.2997 145.876 -67.6418 -235.445 PRESSAVG: 771800 -4.50482 -92.4528 1.03607 -92.4528 -3.38842 -4.02163 1.03609 -4.02168 25.0813 GPRESSAVG: 771800 -5.66482 -92.7858 0.912291 -91.4431 -1.50163 -3.65499 0.650228 -4.68155 24.0954 TIMING: 771800 CPU: 2435.28, 0.00319912/step Wall: 2435.28, 0.00319912/step, 3.75736 hours remaining, 237.187500 MB of memory in use. ENERGY: 771800 3985.6582 20604.0490 14521.1338 255.2573 -203071.8425 2289.6182 0.0000 0.0000 51984.6363 -109431.4897 298.7564 -161416.1260 -109066.8476 299.5508 -165.9415 -133.6196 760958.1139 5.7293 5.6430 PRESSURE: 772000 -159.244 -111.952 -127.844 -111.952 -209.326 -118.869 -127.844 -118.867 172.784 GPRESSURE: 772000 -183.307 -79.7953 -175.562 -73.3939 -177.754 -68.0903 -149.24 -32.4012 237.202 PRESSAVG: 772000 -2.71042 -1.20578 2.83394 -1.20574 -1.98093 -32.6574 2.8339 -32.6574 1.04432 GPRESSAVG: 772000 -1.31397 -2.68205 2.47423 -3.26406 -2.99075 -33.8841 3.02695 -28.1776 1.12087 TIMING: 772000 CPU: 2435.92, 0.00321791/step Wall: 2435.92, 0.00321791/step, 3.77926 hours remaining, 237.187500 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: 772000 4001.6647 20689.1910 14541.9599 230.2041 -203046.8527 2094.1153 0.0000 0.0000 52002.2350 -109487.4828 298.8576 -161489.7178 -109134.1935 299.0999 -65.2617 -41.2864 760622.3769 -1.2157 -1.0613 PRESSURE: 772200 -297.373 107.796 97.2103 107.796 -160.816 -103.201 97.2108 -103.2 -160.775 GPRESSURE: 772200 -308.97 40.8561 110.247 101.85 -131.166 -116.606 63.2624 -147.626 -94.628 PRESSAVG: 772200 -26.7727 10.5392 -6.91676 10.5392 41.6111 -112.348 -6.91677 -112.348 9.93745 GPRESSAVG: 772200 -26.9778 12.5196 -6.52754 12.9547 42.9221 -109.692 -7.87295 -113.46 9.37225 TIMING: 772200 CPU: 2436.55, 0.00317392/step Wall: 2436.55, 0.00317392/step, 3.72741 hours remaining, 237.187500 MB of memory in use. ENERGY: 772200 4023.8413 20513.1873 14565.2459 258.7703 -203379.4928 2379.7304 0.0000 0.0000 52027.2609 -109611.4566 299.0014 -161638.7175 -109244.4342 299.2554 -206.3214 -178.2545 760736.5884 8.2586 8.4389 LDB: ============= START OF LOAD BALANCING ============== 2449.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2449.01 LDB: =============== DONE WITH MIGRATION ================ 2449.01 LDB: ============= START OF LOAD BALANCING ============== 2449.33 LDB: Largest compute 7056 load 0.035289 is 18.1% of average load 0.195020 LDB: Average compute 0.004402 is 2.3% of average load 0.195020 LDB: TIME 2449.33 LOAD: AVG 0.19502 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 2449.33 LOAD: AVG 0.19502 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: TIME 2449.33 LOAD: AVG 0.19502 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: ============== END OF LOAD BALANCING =============== 2449.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2449.34 PRESSURE: 772400 44.9934 2.0729 -88.5962 2.07232 -105.628 -4.18069 -88.596 -4.1802 -228.766 GPRESSURE: 772400 73.8645 44.6703 -148.501 -6.69302 -102.837 2.97299 -17.8491 -2.01263 -177.865 PRESSAVG: 772400 3.50332 20.0065 11.5425 20.0066 14.0108 -40.4056 11.5425 -40.4056 -27.1095 GPRESSAVG: 772400 4.07313 17.7678 11.0227 19.3391 11.858 -41.6285 12.8458 -42.1011 -25.3272 TIMING: 772400 CPU: 2437.2, 0.00324148/step Wall: 2437.2, 0.00324148/step, 3.80657 hours remaining, 237.906250 MB of memory in use. ENERGY: 772400 3993.8814 20550.5062 14486.0414 263.8426 -203274.9366 2393.6421 0.0000 0.0000 51921.2299 -109665.7931 298.3920 -161587.0230 -109303.3205 299.0405 -96.4668 -68.9456 760290.0441 -3.1984 -3.1320 PRESSURE: 772600 -245.202 -94.8301 -99.0285 -94.8303 -254.375 -70.9573 -99.0286 -70.9565 -354.415 GPRESSURE: 772600 -231.722 -28.7926 -97.6035 4.52287 -156.96 -87.774 -28.3816 -19.0599 -363.383 PRESSAVG: 772600 23.3567 2.67015 -4.21518 2.6702 -8.80755 -22.2409 -4.21525 -22.2408 20.3455 GPRESSAVG: 772600 23.0079 3.87026 -3.75447 2.32655 -7.88072 -22.4694 -4.64725 -21.4134 19.7346 TIMING: 772600 CPU: 2437.84, 0.00316911/step Wall: 2437.84, 0.00316911/step, 3.72142 hours remaining, 238.109375 MB of memory in use. ENERGY: 772600 4044.3588 20607.3078 14467.6912 238.0478 -203277.0854 2293.1780 0.0000 0.0000 52030.1557 -109596.3461 299.0180 -161626.5018 -109244.7888 299.2613 -284.6639 -250.6881 759673.4878 11.6315 11.6206 PRESSURE: 772800 -203.868 -82.6694 84.8158 -82.6696 -30.3321 133.957 84.8158 133.956 -193.536 GPRESSURE: 772800 -150.657 45.5333 67.9556 6.57682 -54.4428 114.373 6.66375 129.948 -117.535 PRESSAVG: 772800 38.0369 1.7943 18.2966 1.79421 -18.2774 7.67949 18.2966 7.67939 0.382357 GPRESSAVG: 772800 37.8271 4.59573 17.7633 1.03488 -17.6618 8.22559 17.0738 4.8816 0.476842 TIMING: 772800 CPU: 2438.47, 0.0031693/step Wall: 2438.47, 0.0031693/step, 3.72146 hours remaining, 238.285156 MB of memory in use. ENERGY: 772800 4010.8143 20525.1081 14472.5648 229.8220 -203251.9999 2339.1958 0.0000 0.0000 52063.6409 -109610.8539 299.2105 -161674.4948 -109259.2835 298.8274 -142.5788 -107.5448 760274.7996 6.7139 6.8807 PRESSURE: 773000 -30.7422 -124.213 -23.2864 -124.213 -173.426 -62.7266 -23.2861 -62.7253 393.554 GPRESSURE: 773000 -37.0739 -113.118 29.2853 -108.547 -93.7736 -50.9063 -66.4023 196.896 401.042 PRESSAVG: 773000 40.2846 18.9902 -26.0324 18.9902 1.9142 25.5994 -26.0325 25.5994 22.9863 GPRESSAVG: 773000 41.2399 15.4977 -27.61 19.8607 1.76157 26.7342 -25.999 28.0286 22.5159 TIMING: 773000 CPU: 2439.12, 0.00322568/step Wall: 2439.12, 0.00322568/step, 3.78748 hours remaining, 238.285156 MB of memory in use. ENERGY: 773000 4040.5279 20702.4580 14481.4529 231.8179 -203434.7762 2492.1985 0.0000 0.0000 52027.2938 -109459.0271 299.0016 -161486.3209 -109103.3805 299.4988 63.1285 90.0647 760095.5742 21.7284 21.8391 PRESSURE: 773200 -95.7541 15.2413 -154.471 15.2417 59.4166 -80.6955 -154.471 -80.695 147.72 GPRESSURE: 773200 -94.2921 -44.8291 -261.709 18.3047 76.8808 -33.0159 -16.6555 -75.0514 227.614 PRESSAVG: 773200 -12.0448 -22.7697 0.709685 -22.7697 55.0645 -7.85842 0.709658 -7.85846 -9.12681 GPRESSAVG: 773200 -12.69 -22.4398 1.36343 -23.6588 55.3105 -8.33612 3.08855 -7.80424 -8.95594 TIMING: 773200 CPU: 2439.76, 0.00323229/step Wall: 2439.76, 0.00323229/step, 3.79507 hours remaining, 238.285156 MB of memory in use. ENERGY: 773200 4065.9287 20649.7076 14505.9889 268.1880 -203697.1016 2627.1679 0.0000 0.0000 52175.1544 -109404.9661 299.8513 -161580.1205 -109050.0500 299.8288 37.1276 70.0675 759989.7084 11.2976 11.2215 PRESSURE: 773400 -110.574 -280.525 70.2408 -280.525 142.566 -19.4379 70.2413 -19.4375 -31.0921 GPRESSURE: 773400 -0.0561541 -140.003 89.6541 -243.221 54.0099 -20.9112 17.7757 -3.33364 45.7922 PRESSAVG: 773400 -85.5404 -32.9199 -14.2501 -32.9199 47.3004 -16.963 -14.2501 -16.9629 1.51974 GPRESSAVG: 773400 -85.6574 -29.8973 -14.7746 -34.1636 47.7251 -18.7154 -15.0943 -15.6597 2.1241 TIMING: 773400 CPU: 2440.4, 0.00318499/step Wall: 2440.4, 0.00318499/step, 3.73935 hours remaining, 238.285156 MB of memory in use. ENERGY: 773400 4009.2799 20486.5461 14456.0860 266.5021 -203461.0907 2734.3328 0.0000 0.0000 51767.8695 -109740.4744 297.5107 -161508.3439 -109381.8672 299.1339 0.2999 33.2486 760337.9175 -12.2401 -11.9361 PRESSURE: 773600 -168.926 -61.0138 72.2963 -61.0141 -232.153 137.718 72.2958 137.719 -358.509 GPRESSURE: 773600 -161.545 -56.89 36.0958 -63.6587 -209.974 55.6723 -43.9757 311.119 -318.094 PRESSAVG: 773600 33.8045 -32.2746 22.4051 -32.2746 34.0689 5.31462 22.4051 5.31459 -15.1277 GPRESSAVG: 773600 34.3262 -34.1056 23.1455 -29.0003 33.567 4.1594 21.3534 5.53851 -15.4238 TIMING: 773600 CPU: 2441.04, 0.00321113/step Wall: 2441.04, 0.00321113/step, 3.76987 hours remaining, 238.285156 MB of memory in use. ENERGY: 773600 3977.6483 20437.0638 14485.8063 254.0542 -203752.3693 2586.7640 0.0000 0.0000 51942.0323 -110069.0003 298.5116 -162011.0326 -109705.3672 298.7932 -253.1960 -229.8709 760251.3008 17.5819 17.4898 PRESSURE: 773800 -342.491 122.587 -48.9226 122.587 -531.584 -436.994 -48.9221 -436.993 -133.065 GPRESSURE: 773800 -271.216 105.579 -106.193 -0.857561 -495.43 -391.616 -150.183 -354.654 -167.335 PRESSAVG: 773800 -1.06722 -16.123 -16.9152 -16.1231 2.62015 -17.4243 -16.9152 -17.4242 -0.2881 GPRESSAVG: 773800 -2.52652 -17.0752 -18.4193 -17.5805 4.90494 -16.1484 -17.2123 -19.8169 -1.6753 TIMING: 773800 CPU: 2441.69, 0.00324393/step Wall: 2441.69, 0.00324393/step, 3.80819 hours remaining, 238.285156 MB of memory in use. ENERGY: 773800 4030.8605 20454.9383 14508.6678 269.0095 -203515.1053 2418.8062 0.0000 0.0000 51894.8782 -109937.9448 298.2406 -161832.8230 -109563.4884 298.4827 -335.7134 -311.3269 764130.5498 0.4216 0.2344 PRESSURE: 774000 49.6476 -176.716 -241.593 -176.716 72.9596 19.8634 -241.594 19.8638 -159.057 GPRESSURE: 774000 64.0432 -150.203 -188.183 -148.613 108.428 35.1491 -213.157 78.2418 -141.363 PRESSAVG: 774000 -20.2177 -14.2302 -28.3939 -14.2302 -6.80486 6.87757 -28.3938 6.87757 -12.5085 GPRESSAVG: 774000 -20.1993 -12.6119 -25.736 -15.7047 -8.16808 6.76372 -28.9357 9.03636 -11.655 TIMING: 774000 CPU: 2442.33, 0.00321835/step Wall: 2442.33, 0.00321835/step, 3.77799 hours remaining, 238.285156 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: 774000 4059.5143 20373.0175 14514.0670 236.7405 -203604.9091 2484.7453 0.0000 0.0000 52130.9550 -109805.8695 299.5973 -161936.8245 -109444.3625 298.4120 -12.1498 10.3693 761293.5593 -13.1770 -13.3408 PRESSURE: 774200 -102.338 -217.856 6.93817 -217.855 -40.8842 142.892 6.93794 142.892 -134.562 GPRESSURE: 774200 -35.2629 -319.862 -76.9566 -104.634 73.3082 120.988 154.327 148.404 -202.386 PRESSAVG: 774200 -47.9483 -68.046 31.7732 -68.046 65.872 5.77519 31.7732 5.77509 -3.97938 GPRESSAVG: 774200 -47.7156 -71.1263 30.3881 -64.2681 65.524 5.20699 33.1247 4.81426 -3.87308 TIMING: 774200 CPU: 2442.98, 0.00322714/step Wall: 2442.98, 0.00322714/step, 3.78812 hours remaining, 238.285156 MB of memory in use. ENERGY: 774200 4033.2647 20472.9804 14496.4768 226.3433 -203685.7240 2712.9010 0.0000 0.0000 52125.6467 -109618.1111 299.5668 -161743.7578 -109253.3333 298.6462 -92.5949 -54.7803 761583.6111 4.6481 4.6451 PRESSURE: 774400 -117.755 92.7509 14.4584 92.7508 -178.341 -78.7314 14.459 -78.7314 -89.3546 GPRESSURE: 774400 -58.5571 -29.2381 -3.68858 141.197 -230.341 -2.7629 -128.938 -163.29 -13.7383 PRESSAVG: 774400 13.7113 21.442 33.9114 21.442 26.364 -8.14499 33.9114 -8.14499 0.674495 GPRESSAVG: 774400 12.509 23.7416 34.0943 17.6577 27.1954 -5.92164 32.7765 -8.29062 0.902424 TIMING: 774400 CPU: 2443.63, 0.00324218/step Wall: 2443.63, 0.00324218/step, 3.80559 hours remaining, 238.285156 MB of memory in use. ENERGY: 774400 4033.9741 20499.1340 14517.2957 243.2398 -202991.6631 2226.6886 0.0000 0.0000 51944.2032 -109527.1277 298.5240 -161471.3309 -109172.8842 298.7151 -128.4836 -100.8789 761218.6849 13.5833 13.5356 PRESSURE: 774600 -249.822 -202 122.749 -202 -112.221 13.2808 122.75 13.2802 -71.5791 GPRESSURE: 774600 -152.11 -108.194 172.288 -256.104 -81.0893 27.4413 113.449 56.7395 -104.481 PRESSAVG: 774600 -0.163186 -14.3915 21.9575 -14.3916 -12.7196 46.2083 21.9575 46.2083 4.95872 GPRESSAVG: 774600 -0.476024 -14.6332 23.0315 -11.6688 -12.8346 47.0835 20.9993 44.5506 5.49509 TIMING: 774600 CPU: 2444.27, 0.00319406/step Wall: 2444.27, 0.00319407/step, 3.74895 hours remaining, 238.285156 MB of memory in use. ENERGY: 774600 4039.2759 20505.3475 14485.0201 249.9990 -202979.6205 2449.6320 0.0000 0.0000 51959.2349 -109291.1111 298.6104 -161250.3461 -108935.8592 298.7923 -144.5407 -112.5603 762596.5432 -2.6414 -2.6052 PRESSURE: 774800 -386.607 -80.5608 117.855 -80.5604 -234.665 -23.4527 117.856 -23.4518 -139.071 GPRESSURE: 774800 -239.118 -117.256 150.562 -80.5176 -273.731 -18.1453 105.599 -53.736 -155.533 PRESSAVG: 774800 8.98965 -7.96618 21.411 -7.9662 19.5517 18.879 21.411 18.879 17.1233 GPRESSAVG: 774800 11.0218 -7.77573 21.7068 -11.6132 18.4263 17.5543 20.7283 21.6912 16.1487 TIMING: 774800 CPU: 2444.9, 0.0031855/step Wall: 2444.9, 0.0031855/step, 3.73872 hours remaining, 238.285156 MB of memory in use. ENERGY: 774800 3967.6895 20572.2739 14466.7210 240.8709 -202872.9911 2219.6779 0.0000 0.0000 52042.4087 -109363.3492 299.0884 -161405.7579 -109005.3122 299.6924 -253.4476 -222.7942 762429.2505 15.2215 15.1990 PRESSURE: 775000 -295.092 -124.365 -345.676 -124.366 175.081 -52.4251 -345.675 -52.4258 -192.463 GPRESSURE: 775000 -261.341 41.9925 -312.769 -102.494 201.068 -53.3529 -248.072 -2.73595 -162.379 PRESSAVG: 775000 17.182 -37.9948 -9.0641 -37.9948 5.28155 -10.533 -9.06413 -10.5331 -4.47377 GPRESSAVG: 775000 16.4335 -38.7766 -8.91989 -36.0022 7.49032 -9.93808 -7.27421 -11.0196 -5.98059 TIMING: 775000 CPU: 2445.54, 0.00320555/step Wall: 2445.54, 0.00320555/step, 3.76206 hours remaining, 238.285156 MB of memory in use. ENERGY: 775000 3979.3924 20373.2660 14496.0595 234.0296 -203295.9597 2578.0556 0.0000 0.0000 52110.5997 -109524.5570 299.4803 -161635.1567 -109172.2543 298.6782 -104.1579 -74.2171 761185.1729 5.9966 5.9811 PRESSURE: 775200 -59.8795 -395.531 -52.2522 -395.531 133.068 146.821 -52.2517 146.821 242.826 GPRESSURE: 775200 77.0627 -324.235 -138.133 -385.135 132.643 48.4235 11.8574 170.764 161.692 PRESSAVG: 775200 -29.7463 -74.6261 -7.03729 -74.6261 21.9236 0.461718 -7.03733 0.461785 -9.41382 GPRESSAVG: 775200 -29.4198 -74.1147 -8.79455 -73.4874 20.0113 -0.969618 -5.72828 0.191616 -8.03521 TIMING: 775200 CPU: 2446.18, 0.0031939/step Wall: 2446.18, 0.0031939/step, 3.74822 hours remaining, 238.285156 MB of memory in use. ENERGY: 775200 3978.5494 20512.1256 14499.6166 253.5700 -202809.0403 2184.1146 0.0000 0.0000 51815.0706 -109565.9934 297.7819 -161381.0640 -109205.1881 298.7645 105.3383 123.7992 761684.5048 -5.7455 -5.8146 PRESSURE: 775400 -52.4446 -94.7044 -160.795 -94.705 311.581 -7.12409 -160.795 -7.12426 -449.867 GPRESSURE: 775400 -72.6184 -98.4303 -126.719 -123.941 315.117 40.5345 -104.764 -23.3461 -345.153 PRESSAVG: 775400 -60.1632 -44.1274 24.0637 -44.1274 77.727 -17.8116 24.0637 -17.8115 -11.0875 GPRESSAVG: 775400 -61.1765 -43.9014 26.4671 -45.3349 78.895 -15.8001 20.8015 -17.9616 -10.8287 TIMING: 775400 CPU: 2446.83, 0.00321225/step Wall: 2446.83, 0.00321225/step, 3.76958 hours remaining, 238.285156 MB of memory in use. ENERGY: 775400 4005.7038 20438.6263 14501.1027 245.3608 -203508.7018 2709.5610 0.0000 0.0000 51944.7045 -109663.6428 298.5269 -161608.3473 -109301.1567 298.4540 -63.5769 -34.2181 761030.1083 2.1587 2.2966 PRESSURE: 775600 -241.198 -43.3402 356.932 -43.3399 -118.146 61.4922 356.932 61.4925 127.129 GPRESSURE: 775600 -142.71 -7.52164 197.158 -51.8616 -123.431 41.882 261.059 54.8423 106.104 PRESSAVG: 775600 -55.815 -3.91571 18.3956 -3.91574 66.7125 30.5902 18.3957 30.5902 4.65733 GPRESSAVG: 775600 -56.0342 -3.25954 17.3409 -4.36469 67.0426 28.6523 20.0171 29.5456 5.21328 TIMING: 775600 CPU: 2447.46, 0.00318872/step Wall: 2447.46, 0.00318872/step, 3.74178 hours remaining, 238.285156 MB of memory in use. ENERGY: 775600 3979.1231 20389.0018 14491.6363 250.6579 -203346.9997 2587.1943 0.0000 0.0000 51880.6753 -109768.7110 298.1590 -161649.3862 -109410.4315 298.8423 -77.4050 -53.3458 762981.8157 5.1850 5.4072 PRESSURE: 775800 -297.538 -111.764 24.978 -111.764 -297.003 -47.4643 24.9789 -47.4637 -240.198 GPRESSURE: 775800 -304.897 -89.1081 83.2976 16.6096 -210.834 -39.3764 -34.9983 47.4191 -224.816 PRESSAVG: 775800 -40.6049 -22.1978 14.7773 -22.1978 58.9861 -13.3743 14.7773 -13.3743 12.6603 GPRESSAVG: 775800 -40.2653 -21.2011 13.0253 -23.6 59.1321 -12.4421 15.4078 -12.6653 11.8019 TIMING: 775800 CPU: 2448.1, 0.00320351/step Wall: 2448.1, 0.00320351/step, 3.75896 hours remaining, 238.285156 MB of memory in use. ENERGY: 775800 4053.3534 20513.9037 14447.4917 247.7488 -203432.4064 2409.7829 0.0000 0.0000 51722.1528 -110037.9731 297.2479 -161760.1259 -109682.1664 298.1826 -278.2461 -246.8490 761585.1012 10.3472 10.2229 PRESSURE: 776000 -307.218 -174.066 40.4769 -174.066 161.526 -80.1581 40.4788 -80.1582 -527.396 GPRESSURE: 776000 -227.882 -144.442 53.6039 -99.2858 199.025 -144.721 85.829 -59.2002 -563.789 PRESSAVG: 776000 6.84349 -44.4968 32.6211 -44.4967 -5.20069 -6.92643 32.6211 -6.92641 13.4858 GPRESSAVG: 776000 6.71975 -45.664 33.7865 -41.969 -5.34961 -7.7006 32.9177 -5.402 13.5177 TIMING: 776000 CPU: 2448.74, 0.00316281/step Wall: 2448.74, 0.00316281/step, 3.71103 hours remaining, 238.285156 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: 776000 3985.9632 20424.1043 14547.5717 245.1375 -203224.1807 2244.5773 0.0000 0.0000 51964.0344 -109812.7923 298.6380 -161776.8266 -109449.2958 298.5208 -224.3627 -197.5487 760543.1654 5.0429 4.9626 PRESSURE: 776200 75.6819 11.8921 207.347 11.8916 82.6794 -178.742 207.347 -178.742 -221.44 GPRESSURE: 776200 111.299 -37.4641 99.0715 -133.699 68.9292 -242.011 207.779 -242.872 -167.647 PRESSAVG: 776200 -42.3455 -16.1054 5.31453 -16.1054 60.8295 2.53389 5.31456 2.53394 5.98639 GPRESSAVG: 776200 -41.5999 -15.719 5.83917 -19.8911 60.7516 3.02218 4.86393 -0.501819 6.00992 TIMING: 776200 CPU: 2449.37, 0.00317594/step Wall: 2449.37, 0.00317594/step, 3.72626 hours remaining, 238.285156 MB of memory in use. ENERGY: 776200 3986.7048 20337.8800 14420.4869 237.4892 -203231.8522 2462.9437 0.0000 0.0000 52143.1018 -109643.2458 299.6671 -161786.3476 -109284.6195 298.8414 -21.0263 4.1938 761382.2060 8.1568 8.3872 LDB: ============= START OF LOAD BALANCING ============== 2461.83 LDB: ============== END OF LOAD BALANCING =============== 2461.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2461.83 LDB: ============= START OF LOAD BALANCING ============== 2462.15 LDB: Largest compute 7065 load 0.036468 is 18.7% of average load 0.195147 LDB: Average compute 0.004394 is 2.3% of average load 0.195147 LDB: TIME 2462.15 LOAD: AVG 0.195147 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.941 MB LDB: TIME 2462.15 LOAD: AVG 0.195147 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.941 MB LDB: TIME 2462.15 LOAD: AVG 0.195147 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.941 MB LDB: ============== END OF LOAD BALANCING =============== 2462.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2462.16 PRESSURE: 776400 -16.9039 -115.102 -75.2039 -115.102 132.275 97.8577 -75.2036 97.858 79.1227 GPRESSURE: 776400 -48.831 -62.9242 -30.4429 -9.77648 140.351 118.206 -48.9154 174.211 167.065 PRESSAVG: 776400 -6.72211 -2.2602 21.6504 -2.26021 15.6407 60.4568 21.6504 60.4568 12.6436 GPRESSAVG: 776400 -7.31623 -2.54235 21.0185 -0.12019 15.6209 59.7965 19.5524 61.5031 13.2409 TIMING: 776400 CPU: 2450.02, 0.00324328/step Wall: 2450.02, 0.00324328/step, 3.80509 hours remaining, 236.531250 MB of memory in use. ENERGY: 776400 3945.9025 20497.6656 14462.9129 256.6195 -203148.1370 2545.8898 0.0000 0.0000 52030.7383 -109408.4084 299.0214 -161439.1467 -109049.1656 298.7603 64.8312 86.1951 761407.4945 7.1874 7.1818 PRESSURE: 776600 -478.186 -13.2484 291.425 -13.2493 -77.4626 138.846 291.425 138.845 198.256 GPRESSURE: 776600 -436.296 -30.17 360.618 46.099 -44.7087 47.7952 136.587 153.413 197.267 PRESSAVG: 776600 -7.56019 -38.6795 4.61962 -38.6795 28.9129 27.7897 4.61961 27.7898 10.391 GPRESSAVG: 776600 -7.97653 -36.4478 4.79743 -40.262 29.1795 26.7393 5.32731 29.2436 10.9356 TIMING: 776600 CPU: 2450.66, 0.00317699/step Wall: 2450.66, 0.00317699/step, 3.72713 hours remaining, 236.531250 MB of memory in use. ENERGY: 776600 3972.6965 20392.0401 14479.1803 253.9488 -203208.0568 2621.6305 0.0000 0.0000 51873.6564 -109614.9043 298.1186 -161488.5607 -109252.7233 298.2209 -119.1308 -94.5791 761743.2955 10.5812 10.7128 PRESSURE: 776800 201.024 -81.8253 -32.3463 -81.8254 -412.985 76.2544 -32.3459 76.2548 -184.836 GPRESSURE: 776800 161.154 -98.9166 -34.5195 4.39309 -346.286 98.7568 -48.0208 -20.1315 -109.604 PRESSAVG: 776800 -10.1628 -46.8425 37.9274 -46.8426 25.2216 -22.6716 37.9274 -22.6715 23.3098 GPRESSAVG: 776800 -9.83812 -49.7448 38.9752 -46.0834 25.3567 -22.3248 37.0436 -24.472 22.774 TIMING: 776800 CPU: 2451.29, 0.00316818/step Wall: 2451.29, 0.00316818/step, 3.71663 hours remaining, 236.531250 MB of memory in use. ENERGY: 776800 3940.3404 20516.3341 14467.7583 250.9828 -203457.9255 2374.8212 0.0000 0.0000 52191.4645 -109716.2243 299.9451 -161907.6888 -109351.9167 298.7628 -132.2653 -98.2456 759400.0721 12.7895 12.7642 PRESSURE: 777000 -288.201 213.606 32.4326 213.605 -267.639 40.3249 32.433 40.3252 -115.691 GPRESSURE: 777000 -289.325 126.184 -14.6264 204.189 -197.2 -20.1365 59.8079 147.813 -105.681 PRESSAVG: 777000 25.7091 -28.4764 11.7652 -28.4764 52.1048 -32.9629 11.7652 -32.9629 -9.01984 GPRESSAVG: 777000 25.9712 -27.4157 9.84265 -29.8207 52.607 -31.9666 14.8129 -32.4763 -9.33892 TIMING: 777000 CPU: 2451.93, 0.00318902/step Wall: 2451.93, 0.00318902/step, 3.7409 hours remaining, 236.531250 MB of memory in use. ENERGY: 777000 4019.6852 20494.5588 14471.2851 226.8491 -203064.6350 2215.6634 0.0000 0.0000 51954.3603 -109682.2330 298.5824 -161636.5933 -109329.5783 297.9918 -223.8439 -197.4016 760715.7212 22.9314 23.0798 PRESSURE: 777200 89.1502 -133.082 -216.293 -133.082 -196.72 -97.6649 -216.294 -97.6654 83.4072 GPRESSURE: 777200 31.2989 -96.1328 -199.971 -247.989 -71.6457 -19.0049 -292.419 -54.8013 97.4831 PRESSAVG: 777200 -7.55098 -6.20046 -22.2433 -6.20053 0.481948 -43.7081 -22.2433 -43.7082 -10.7205 GPRESSAVG: 777200 -8.35507 -7.39721 -20.8159 -3.52562 0.697569 -43.7044 -24.2918 -42.3245 -10.5825 TIMING: 777200 CPU: 2452.57, 0.0032246/step Wall: 2452.57, 0.0032246/step, 3.78246 hours remaining, 236.531250 MB of memory in use. ENERGY: 777200 3980.5161 20476.6205 14454.1591 267.9321 -203197.5731 2492.5421 0.0000 0.0000 51957.7521 -109568.0512 298.6019 -161525.8033 -109214.0922 298.1969 -8.0542 19.0454 760937.0485 -5.9298 -6.0800 PRESSURE: 777400 322.027 127.927 -65.0159 127.928 -129.947 -107.111 -65.0152 -107.111 437.434 GPRESSURE: 777400 252.033 103.966 -45.7357 104.277 7.23421 -128.919 -30.1617 -46.4937 449.886 PRESSAVG: 777400 28.6624 1.33959 2.12295 1.33961 -16.63 -16.7243 2.123 -16.7244 -4.15064 GPRESSAVG: 777400 28.6287 1.78708 0.646005 1.17957 -17.2531 -15.4176 0.887174 -17.1292 -3.21839 TIMING: 777400 CPU: 2453.22, 0.00321607/step Wall: 2453.22, 0.00321607/step, 3.77227 hours remaining, 236.531250 MB of memory in use. ENERGY: 777400 3927.6471 20490.0678 14351.0058 245.5487 -202935.3310 2326.1566 0.0000 0.0000 51987.5573 -109607.3478 298.7732 -161594.9051 -109244.5437 298.3000 209.8382 236.3845 760370.2953 2.6272 2.7191 PRESSURE: 777600 110.43 43.737 -99.2727 43.7363 -352.683 477.201 -99.2727 477.2 -190.034 GPRESSURE: 777600 33.7125 -22.0995 -59.3808 -23.1952 -262.49 458.559 34.7384 559.875 -136.201 PRESSAVG: 777600 16.9105 -23.2487 -22.7504 -23.2487 28.2302 43.5109 -22.7504 43.5109 16.6201 GPRESSAVG: 777600 17.9026 -24.7302 -22.4272 -23.6982 28.5322 42.4723 -21.3603 42.7114 15.8756 TIMING: 777600 CPU: 2453.85, 0.00317816/step Wall: 2453.85, 0.00317816/step, 3.72763 hours remaining, 236.531250 MB of memory in use. ENERGY: 777600 3979.1285 20443.2023 14406.6867 242.9314 -203088.9051 2366.0865 0.0000 0.0000 51976.3189 -109674.5510 298.7086 -161650.8699 -109318.7366 298.6956 -144.0957 -121.6595 760446.8335 20.5869 20.7701 PRESSURE: 777800 0.307929 -73.5105 206.865 -73.5104 61.865 -15.0027 206.865 -15.0027 -90.7362 GPRESSURE: 777800 -1.38232 22.0397 201.725 -130.049 71.8395 28.4888 119.73 82.2805 -9.69905 PRESSAVG: 777800 1.31006 -30.9025 14.0568 -30.9024 37.9458 20.0041 14.0567 20.0041 4.18987 GPRESSAVG: 777800 1.25265 -28.895 13.6399 -31.757 37.7923 21.3783 13.8525 19.2632 4.43819 TIMING: 777800 CPU: 2454.5, 0.00324444/step Wall: 2454.5, 0.00324444/step, 3.80519 hours remaining, 236.531250 MB of memory in use. ENERGY: 777800 3918.3939 20426.6471 14496.9251 247.6084 -203333.2201 2553.8848 0.0000 0.0000 52077.9384 -109611.8224 299.2926 -161689.7608 -109251.8150 298.7566 -9.5211 20.2527 760701.3691 14.4819 14.4944 PRESSURE: 778000 -254.795 153.871 166.157 153.87 -278.439 -60.6236 166.157 -60.624 -598.304 GPRESSURE: 778000 -140.155 117.451 188.04 72.3831 -228.471 -117.544 197.01 141.184 -660.763 PRESSAVG: 778000 -46.7418 0.685509 36.4649 0.685482 18.09 15.0822 36.4649 15.0823 -5.30244 GPRESSAVG: 778000 -47.0635 -0.119732 36.6729 2.15436 18.9768 14.0096 37.7776 18.1654 -5.90052 TIMING: 778000 CPU: 2455.14, 0.00318722/step Wall: 2455.14, 0.00318722/step, 3.7379 hours remaining, 236.531250 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: 778000 3957.9377 20492.4246 14478.3006 267.0129 -202933.4193 2300.6500 0.0000 0.0000 51797.6904 -109639.4031 297.6820 -161437.0935 -109286.3504 298.5924 -377.1795 -343.1300 762505.5861 -11.3181 -11.3291 PRESSURE: 778200 -100.646 -7.7485 61.6115 -7.74893 163.82 6.0549 61.6119 6.05468 96.8317 GPRESSURE: 778200 -25.2159 2.30973 57.4243 51.6834 188.161 116.345 22.6499 -91.1289 82.1268 PRESSAVG: 778200 -39.6058 -13.7873 -38.1221 -13.7872 13.9228 -24.5851 -38.1222 -24.5851 15.3672 GPRESSAVG: 778200 -39.9255 -13.5018 -38.7578 -13.9124 13.6786 -23.8388 -36.7668 -27.0373 16.1147 TIMING: 778200 CPU: 2455.78, 0.00318774/step Wall: 2455.78, 0.00318774/step, 3.73833 hours remaining, 236.531250 MB of memory in use. ENERGY: 778200 3896.2659 20420.2527 14473.7164 248.0396 -203222.1176 2600.4106 0.0000 0.0000 51855.6412 -109727.7912 298.0151 -161583.4324 -109374.5279 298.6577 53.3354 81.6907 759970.9991 -3.4386 -3.3774 PRESSURE: 778400 7.33523 -79.4341 330.861 -79.434 58.7894 -264.731 330.861 -264.731 37.8902 GPRESSURE: 778400 66.1185 -78.3586 362.92 -45.909 89.2718 -253.003 349.267 -211.062 27.0235 PRESSAVG: 778400 -17.4621 -44.8585 38.0428 -44.8585 3.23979 -32.9239 38.0428 -32.924 10.4072 GPRESSAVG: 778400 -16.7718 -45.7879 39.0178 -45.1934 2.42214 -34.1517 34.6592 -33.8378 10.289 TIMING: 778400 CPU: 2456.42, 0.0032074/step Wall: 2456.42, 0.0032074/step, 3.76122 hours remaining, 236.531250 MB of memory in use. ENERGY: 778400 3992.1777 20386.8992 14511.5032 233.4376 -203258.9790 2524.4772 0.0000 0.0000 52203.3447 -109407.1394 300.0133 -161610.4841 -109047.1428 298.9244 34.6716 60.8046 761158.4430 -1.2717 -1.3536 PRESSURE: 778600 -28.7955 -210.917 61.1393 -210.916 -100.837 109.602 61.1397 109.601 -17.4591 GPRESSURE: 778600 9.6169 -101.299 56.4444 -214.972 -41.6781 113.166 68.5896 139.658 -45.8988 PRESSAVG: 778600 11.7495 -48.3453 18.8079 -48.3453 -5.96106 -41.2139 18.8079 -41.214 -26.8564 GPRESSAVG: 778600 12.6876 -47.0282 19.1861 -46.8367 -6.62249 -40.2893 20.7721 -40.1729 -27.261 TIMING: 778600 CPU: 2457.06, 0.00320978/step Wall: 2457.06, 0.00320978/step, 3.76382 hours remaining, 236.531250 MB of memory in use. ENERGY: 778600 3964.6423 20388.3667 14498.3366 233.9945 -203176.1021 2446.0070 0.0000 0.0000 52315.4569 -109329.2982 300.6576 -161644.7551 -108965.6200 299.4712 -49.0305 -25.9867 761409.5887 -7.0227 -7.0653 PRESSURE: 778800 434.525 -195.713 266.893 -195.713 59.5969 148.24 266.894 148.24 684.602 GPRESSURE: 778800 370.432 -223.563 251.847 -148.634 104.788 61.8452 203.406 233.134 790.521 PRESSAVG: 778800 -5.09119 -68.7882 22.051 -68.7881 -0.443241 -14.4592 22.051 -14.4592 14.0503 GPRESSAVG: 778800 -6.52181 -67.5585 20.254 -71.9168 -1.46206 -14.7997 23.9333 -13.9617 16.3502 TIMING: 778800 CPU: 2457.7, 0.00319991/step Wall: 2457.7, 0.00319991/step, 3.75207 hours remaining, 236.531250 MB of memory in use. ENERGY: 778800 3941.1839 20448.7501 14475.1529 257.4047 -203365.1896 2744.6310 0.0000 0.0000 52261.4977 -109236.5693 300.3475 -161498.0670 -108876.8758 299.3788 392.9078 421.9138 759606.1237 2.8386 2.7888 PRESSURE: 779000 -3.20633 116.054 155.008 116.054 368.147 -61.0861 155.008 -61.0847 -114.621 GPRESSURE: 779000 6.30269 1.7386 181.851 130.038 423.012 -89.8854 131.68 -92.7029 -101.431 PRESSAVG: 779000 32.339 -0.969954 9.96999 -0.969983 -15.9955 -15.2823 9.97001 -15.2822 -13.2975 GPRESSAVG: 779000 31.2047 -2.01494 12.4381 0.102926 -14.695 -16.1795 7.13751 -14.8779 -13.4257 TIMING: 779000 CPU: 2458.34, 0.00320639/step Wall: 2458.34, 0.00320639/step, 3.7595 hours remaining, 236.531250 MB of memory in use. ENERGY: 779000 3987.0617 20490.5289 14481.2283 258.7884 -203278.9297 2651.8226 0.0000 0.0000 52065.4656 -109344.0341 299.2209 -161409.4997 -108980.0748 299.4281 83.4399 109.2947 761075.0795 1.0153 1.0280 PRESSURE: 779200 -83.3248 -39.572 -96.6925 -39.5725 4.42673 -101.403 -96.6916 -101.403 -68.4605 GPRESSURE: 779200 -87.523 -110.36 -57.1809 -39.3051 -26.6131 -95.0259 -5.08521 -9.0937 57.7227 PRESSAVG: 779200 -24.9202 -57.517 74.0113 -57.5171 9.46579 66.2232 74.0114 66.2232 -3.64621 GPRESSAVG: 779200 -23.5378 -58.5365 74.0851 -57.5 9.49508 66.8262 73.8161 63.4 -4.9405 TIMING: 779200 CPU: 2458.98, 0.00320401/step Wall: 2458.98, 0.00320401/step, 3.75652 hours remaining, 236.531250 MB of memory in use. ENERGY: 779200 3956.3624 20550.3979 14519.3690 266.0938 -203020.2604 2446.4681 0.0000 0.0000 51755.7405 -109525.8287 297.4410 -161281.5692 -109174.8273 299.0277 -49.1195 -18.8045 759121.0354 -6.3669 -6.3277 PRESSURE: 779400 10.2301 -77.0386 117.147 -77.0381 -381.721 81.7399 117.147 81.7404 306.565 GPRESSURE: 779400 52.3242 -94.6914 113.891 11.2932 -427.754 40.5556 79.4976 133.989 400.049 PRESSAVG: 779400 8.35223 -8.37565 52.3113 -8.37563 -22.3451 -28.2059 52.3113 -28.2059 -1.88582 GPRESSAVG: 779400 7.59808 -8.39987 51.354 -5.93754 -21.4245 -28.6804 52.0318 -25.8998 -1.61943 TIMING: 779400 CPU: 2459.62, 0.00320167/step Wall: 2459.62, 0.00320167/step, 3.7536 hours remaining, 236.531250 MB of memory in use. ENERGY: 779400 3931.5659 20513.2447 14510.0308 238.3145 -203251.6632 2377.8643 0.0000 0.0000 52206.9251 -109473.7179 300.0339 -161680.6430 -109111.5109 299.4237 -21.6419 8.2063 759254.0436 -5.2929 -5.1486 PRESSURE: 779600 -294.795 -101.73 160.464 -101.73 231.044 3.23078 160.464 3.23216 418.871 GPRESSURE: 779600 -218.542 10.6678 180.785 -75.8337 280.292 -109.562 139.512 -9.97153 390.84 PRESSAVG: 779600 36.9555 29.4157 -16.4895 29.4157 -40.4144 -1.16681 -16.4895 -1.16678 6.73834 GPRESSAVG: 779600 37.6226 30.0017 -15.5312 26.719 -40.6395 -1.22235 -14.1395 0.2347 6.13336 TIMING: 779600 CPU: 2460.26, 0.00319904/step Wall: 2460.26, 0.00319904/step, 3.75034 hours remaining, 236.531250 MB of memory in use. ENERGY: 779600 3991.5498 20560.9934 14446.9524 275.2362 -203813.9282 2908.5799 0.0000 0.0000 52062.5928 -109568.0237 299.2044 -161630.6166 -109201.7197 299.1282 118.3735 150.8634 759544.5493 1.0932 1.0388 PRESSURE: 779800 7.77961 -54.4126 185.803 -54.4135 -62.6218 56.2874 185.803 56.2883 345.013 GPRESSURE: 779800 31.3778 -53.971 129.001 -167.01 8.09414 -35.1248 238.115 194.175 338.009 PRESSAVG: 779800 -45.2778 1.59488 37.6481 1.5949 23.7641 -73.9048 37.6481 -73.9047 15.5546 GPRESSAVG: 779800 -46.4465 0.859006 36.1074 2.78259 23.8038 -73.6304 35.9123 -73.9661 16.7581 TIMING: 779800 CPU: 2460.9, 0.00321142/step Wall: 2460.9, 0.00321142/step, 3.76467 hours remaining, 236.531250 MB of memory in use. ENERGY: 779800 3961.7752 20502.6558 14570.8356 251.7699 -203219.0897 2343.7818 0.0000 0.0000 52035.9294 -109552.3420 299.0512 -161588.2714 -109182.1642 299.0937 96.7237 125.8271 761427.7452 -1.9863 -1.9615 PRESSURE: 780000 57.9486 85.5895 -11.7046 85.5894 -205.056 -12.3999 -11.7041 -12.4011 35.2413 GPRESSURE: 780000 85.8657 18.6667 16.085 140.849 -133.142 -75.2438 126.936 37.2119 15.8283 PRESSAVG: 780000 -25.255 28.8063 39.0525 28.8063 -6.48462 -3.07658 39.0525 -3.07657 -8.22757 GPRESSAVG: 780000 -25.2532 27.7144 39.931 30.3091 -4.41321 -3.79161 37.783 -4.55465 -10.0542 TIMING: 780000 CPU: 2461.55, 0.00321784/step Wall: 2461.55, 0.00321784/step, 3.77202 hours remaining, 236.531250 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: 780000 3983.7500 20488.4707 14570.3500 253.4669 -203397.7756 2626.4550 0.0000 0.0000 52206.8377 -109268.4452 300.0334 -161475.2829 -108899.9013 299.4838 -37.2888 -10.4826 761461.9452 -13.3224 -13.2402 PRESSURE: 780200 -176.133 81.1121 116.535 81.1123 164.229 -44.3091 116.535 -44.3098 -142.472 GPRESSURE: 780200 -165.609 -48.7116 128.397 56.6838 141.868 -24.5978 102.08 -88.01 -38.3298 PRESSAVG: 780200 29.0566 3.06546 30.4863 3.06551 -2.52065 18.9163 30.4863 18.9164 -20.2295 GPRESSAVG: 780200 29.247 2.73911 29.5731 4.47895 -4.32562 21.8612 31.6712 17.0192 -18.7542 TIMING: 780200 CPU: 2462.18, 0.0031849/step Wall: 2462.18, 0.0031849/step, 3.73323 hours remaining, 236.531250 MB of memory in use. ENERGY: 780200 4004.4234 20720.7208 14563.3114 255.0512 -203130.5634 2353.1172 0.0000 0.0000 52068.1586 -109165.7808 299.2364 -161233.9394 -108809.7563 299.5380 -51.4588 -20.6904 761431.1800 2.1022 2.0557 LDB: ============= START OF LOAD BALANCING ============== 2474.64 LDB: ============== END OF LOAD BALANCING =============== 2474.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2474.64 LDB: ============= START OF LOAD BALANCING ============== 2474.96 LDB: Largest compute 7025 load 0.035833 is 18.4% of average load 0.194880 LDB: Average compute 0.004397 is 2.3% of average load 0.194880 LDB: TIME 2474.96 LOAD: AVG 0.19488 MAX 0.212819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.73 MB LDB: TIME 2474.96 LOAD: AVG 0.19488 MAX 0.212819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: TIME 2474.96 LOAD: AVG 0.19488 MAX 0.212819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: ============== END OF LOAD BALANCING =============== 2474.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2474.97 PRESSURE: 780400 87.6315 -36.5791 69.5225 -36.5797 -151.854 1.11831 69.522 1.11904 -123.505 GPRESSURE: 780400 190.498 -29.7168 60.5995 -86.1321 -163.413 8.59779 78.4486 91.7589 -135.472 PRESSAVG: 780400 -38.9607 -23.8653 -5.48565 -23.8653 55.665 0.248992 -5.48568 0.248882 -4.30283 GPRESSAVG: 780400 -37.3942 -23.5844 -5.95851 -26.7126 54.0923 -1.94209 -5.68912 2.54662 -4.80011 TIMING: 780400 CPU: 2462.83, 0.00325391/step Wall: 2462.83, 0.00325391/step, 3.81394 hours remaining, 238.011719 MB of memory in use. ENERGY: 780400 4033.7607 20583.8230 14546.6884 249.1682 -203709.6811 2659.6898 0.0000 0.0000 52176.6507 -109459.9003 299.8599 -161636.5509 -109092.0176 299.6462 -62.5756 -36.1289 761853.3019 4.1338 3.9660 PRESSURE: 780600 -244.663 -77.957 -4.34977 -77.9568 -189.429 -137.387 -4.35007 -137.388 50.6274 GPRESSURE: 780600 -142.454 75.5185 25.7285 -57.8314 -164.345 -135.282 -24.7934 -193.195 14.9084 PRESSAVG: 780600 73.1783 -18.976 -7.75551 -18.976 -80.2578 9.5141 -7.75545 9.51397 0.924257 GPRESSAVG: 780600 72.7621 -15.1284 -8.44351 -18.5111 -80.7302 10.085 -7.73732 7.96086 0.944033 TIMING: 780600 CPU: 2463.47, 0.00318517/step Wall: 2463.47, 0.00318517/step, 3.73319 hours remaining, 238.214844 MB of memory in use. ENERGY: 780600 4003.9352 20565.2251 14491.1451 234.6943 -203775.9261 2452.8389 0.0000 0.0000 52289.3437 -109738.7438 300.5076 -162028.0874 -109379.3843 299.0941 -127.8213 -97.2969 760412.6139 -2.0517 -2.3414 PRESSURE: 780800 339.801 -28.6144 -80.5385 -28.6141 -235.586 107.398 -80.5396 107.398 21.8006 GPRESSURE: 780800 325.775 4.72545 -116.848 -193.812 -117.244 109.141 -124.541 151.886 15.3858 PRESSAVG: 780800 34.1439 -47.2287 14.7898 -47.2287 -20.9756 2.39468 14.7898 2.39478 10.3295 GPRESSAVG: 780800 33.1472 -49.753 14.5625 -46.8062 -20.075 1.71285 15.2656 3.35885 10.703 TIMING: 780800 CPU: 2464.11, 0.0031787/step Wall: 2464.11, 0.0031787/step, 3.72544 hours remaining, 238.214844 MB of memory in use. ENERGY: 780800 4015.0597 20497.4743 14543.3540 253.3416 -203341.1352 2368.7533 0.0000 0.0000 51885.2666 -109777.8858 298.1853 -161663.1523 -109411.7043 298.8463 42.0051 74.6388 759088.9079 7.8326 7.9251 PRESSURE: 781000 -1.2329 65.2099 85.9469 65.2098 157.277 -83.6518 85.9469 -83.6518 71.431 GPRESSURE: 781000 35.9737 88.7587 60.5446 95.9331 184.695 -56.5859 147.69 -69.6472 102.29 PRESSAVG: 781000 -29.1214 -33.3473 17.3273 -33.3473 2.75458 -1.65367 17.3273 -1.65362 14.8501 GPRESSAVG: 781000 -28.7055 -32.2304 17.0355 -33.9693 2.50588 -0.220558 17.6536 -0.804243 14.3361 TIMING: 781000 CPU: 2464.74, 0.00318099/step Wall: 2464.74, 0.00318099/step, 3.72794 hours remaining, 238.214844 MB of memory in use. ENERGY: 781000 3902.4357 20715.1095 14559.2441 247.2782 -203260.8809 2354.6376 0.0000 0.0000 51776.6304 -109705.5453 297.5610 -161482.1757 -109338.8875 298.9958 75.8251 107.6526 759796.0377 -3.8389 -3.9545 PRESSURE: 781200 31.4508 180.771 -134.085 180.772 -90.9138 -38.6693 -134.085 -38.67 41.407 GPRESSURE: 781200 115.024 141.064 -94.5054 123.704 -122.777 45.3662 -155.388 -135.202 77.5521 PRESSAVG: 781200 38.0214 20.6582 30.3267 20.6582 -20.9994 6.29442 30.3267 6.29443 -31.7304 GPRESSAVG: 781200 36.8481 18.2103 31.3161 21.0666 -20.8378 5.55211 28.431 6.16465 -30.6375 TIMING: 781200 CPU: 2465.37, 0.00315397/step Wall: 2465.37, 0.00315397/step, 3.6961 hours remaining, 238.214844 MB of memory in use. ENERGY: 781200 3979.3849 20669.3062 14480.4971 263.0268 -203714.1649 2407.6509 0.0000 0.0000 52080.3999 -109833.8992 299.3068 -161914.2991 -109468.9270 298.6014 -6.0187 23.2664 758043.3645 -4.9028 -4.8757 PRESSURE: 781400 165.443 75.1681 34.7927 75.1671 58.6467 -195.261 34.7927 -195.26 338.628 GPRESSURE: 781400 215.489 -7.03934 12.1499 119.499 141 -183.27 49.1621 -147.676 297.978 PRESSAVG: 781400 -16.1961 -2.66733 -18.7846 -2.66724 -19.5551 -12.4014 -18.7845 -12.4014 -14.6025 GPRESSAVG: 781400 -15.7729 1.98889 -18.826 -3.35662 -18.8768 -12.2234 -17.8897 -13.5911 -16.0948 TIMING: 781400 CPU: 2466.01, 0.00315836/step Wall: 2466.01, 0.00315836/step, 3.70107 hours remaining, 238.214844 MB of memory in use. ENERGY: 781400 4010.1480 20533.7249 14469.8003 243.7276 -203615.5458 2483.6267 0.0000 0.0000 52121.1001 -109753.4181 299.5407 -161874.5182 -109372.3234 298.5547 187.5727 218.1559 759602.6408 -16.7846 -16.9148 PRESSURE: 781600 268.353 -239.662 123.003 -239.662 -274.528 158.643 123.003 158.643 -93.8621 GPRESSURE: 781600 221.909 -126.195 114.87 -282.215 -164.381 216.377 -23.1284 48.3591 -74.1465 PRESSAVG: 781600 -13.5491 -39.9558 -19.6814 -39.9558 -3.5579 65.8719 -19.6813 65.8718 -23.5338 GPRESSAVG: 781600 -14.9129 -43.1051 -18.6932 -40.7424 -4.03986 67.2584 -19.7497 65.2645 -21.9639 TIMING: 781600 CPU: 2466.63, 0.00313747/step Wall: 2466.63, 0.00313747/step, 3.67642 hours remaining, 238.214844 MB of memory in use. ENERGY: 781600 3937.5425 20594.9937 14387.3719 265.4639 -203833.7719 2491.9136 0.0000 0.0000 52226.9488 -109929.5374 300.1490 -162156.4862 -109563.3898 298.7191 -33.3455 -5.5397 758618.5422 -13.5469 -13.6389 PRESSURE: 781800 -100.779 -98.7582 -80.4397 -98.7588 75.9487 158.619 -80.4395 158.619 79.1484 GPRESSURE: 781800 -34.4779 -31.9299 -16.0667 -32.7726 139.832 133.854 -32.1579 123.79 42.0539 PRESSAVG: 781800 7.97744 -0.452307 -8.19663 -0.452292 3.11997 -10.2948 -8.19661 -10.2948 -17.9374 GPRESSAVG: 781800 10.2346 0.720726 -8.97987 1.28102 3.33569 -13.2125 -8.4475 -9.18659 -20.5402 TIMING: 781800 CPU: 2467.27, 0.00315875/step Wall: 2467.27, 0.00315875/step, 3.70118 hours remaining, 238.214844 MB of memory in use. ENERGY: 781800 4037.8603 20520.8405 14405.9554 245.7235 -203643.8433 2570.6323 0.0000 0.0000 51945.9335 -109916.8978 298.5340 -161862.8313 -109538.4502 298.5790 18.1061 49.1360 758830.7600 -2.2800 -2.3233 PRESSURE: 782000 -502.063 14.863 44.3638 14.8629 -106.141 6.20769 44.3648 6.20749 -116.269 GPRESSURE: 782000 -426.033 -62.7415 51.7704 1.60834 -78.2578 107.94 -3.59618 53.9667 -117 PRESSAVG: 782000 -18.1827 -16.1084 -79.1675 -16.1084 8.13387 62.5841 -79.1675 62.584 -1.15274 GPRESSAVG: 782000 -20.2287 -17.2423 -79.5391 -16.9517 8.24144 63.0604 -78.8553 63.0431 0.845977 TIMING: 782000 CPU: 2467.9, 0.00315327/step Wall: 2467.9, 0.00315327/step, 3.69458 hours remaining, 238.214844 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: 782000 3965.0716 20569.3134 14436.0288 243.1448 -203302.9919 2344.6613 0.0000 0.0000 51898.3810 -109846.3910 298.2607 -161744.7720 -109481.9908 298.6792 -241.4907 -207.0969 759778.8339 -3.7339 -3.7138 PRESSURE: 782200 302.448 -80.557 -55.8738 -80.5575 110.188 -241.103 -55.8743 -241.104 133.763 GPRESSURE: 782200 269.207 -108.258 15.2509 -53.1499 207.644 -235.989 -46.3139 -241.233 159.419 PRESSAVG: 782200 -13.3118 -58.6666 -34.6109 -58.6665 23.0998 41.9995 -34.6109 41.9995 18.9569 GPRESSAVG: 782200 -12.4891 -60.5574 -31.9069 -57.4039 23.2903 43.0422 -35.1729 43.2201 17.8108 TIMING: 782200 CPU: 2468.53, 0.00314989/step Wall: 2468.53, 0.00314989/step, 3.69045 hours remaining, 238.214844 MB of memory in use. ENERGY: 782200 3962.6375 20576.3373 14498.1451 231.1001 -203505.2736 2525.0277 0.0000 0.0000 52243.3135 -109468.7124 300.2430 -161712.0259 -109092.0356 299.3662 182.1331 212.0902 757625.0066 9.5816 9.5374 PRESSURE: 782400 -263.417 -19.681 174.5 -19.6815 -356.61 -70.9243 174.499 -70.9235 -202.988 GPRESSURE: 782400 -289.778 9.57657 243.811 -102.943 -279.333 -89.3304 147.469 -49.5904 -153.616 PRESSAVG: 782400 8.09959 47.6023 -3.95015 47.6024 16.1473 41.2457 -3.95017 41.2457 3.17556 GPRESSAVG: 782400 7.7675 48.2022 -5.98877 47.3761 15.6267 38.6311 -4.50851 40.9723 4.12414 TIMING: 782400 CPU: 2469.16, 0.00318476/step Wall: 2469.16, 0.00318476/step, 3.73112 hours remaining, 238.214844 MB of memory in use. ENERGY: 782400 4011.3603 20596.3780 14437.3325 243.5869 -203076.8190 2117.6653 0.0000 0.0000 52144.3193 -109526.1768 299.6741 -161670.4961 -109161.9641 299.5482 -274.3383 -240.9090 760098.9451 9.1408 9.1728 PRESSURE: 782600 -82.8074 48.5242 86.2181 48.5239 274.862 -66.9408 86.2188 -66.9409 -156.004 GPRESSURE: 782600 -57.311 97.4816 21.8512 136.148 228.362 -12.2519 224.013 -60.8865 -39.705 PRESSAVG: 782600 -15.5956 -25.3488 47.3011 -25.3487 -14.8909 16.9667 47.3011 16.9666 -1.35267 GPRESSAVG: 782600 -15.8994 -24.1216 45.7804 -25.5548 -14.1198 18.2375 48.89 16.9806 -1.33616 TIMING: 782600 CPU: 2469.8, 0.00317277/step Wall: 2469.8, 0.00317277/step, 3.7169 hours remaining, 238.214844 MB of memory in use. ENERGY: 782600 3995.4567 20540.0499 14539.5410 257.0722 -203056.1045 2457.1268 0.0000 0.0000 52108.5779 -109158.2800 299.4687 -161266.8578 -108791.5620 299.6942 12.0169 43.7820 760704.3430 -10.6130 -10.4518 PRESSURE: 782800 -91.3457 -44.9726 115.601 -44.9719 -168.361 9.94925 115.601 9.95033 179.901 GPRESSURE: 782800 -84.728 -149.802 39.5881 53.3412 -32.7556 44.1497 70.9652 -5.05253 131.445 PRESSAVG: 782800 -3.84097 -0.371101 28.032 -0.371133 -20.5307 57.4515 28.032 57.4514 2.22398 GPRESSAVG: 782800 -3.50664 0.307296 31.3262 0.293406 -20.7492 56.6997 25.7508 57.0234 2.84277 TIMING: 782800 CPU: 2470.43, 0.00316768/step Wall: 2470.43, 0.00316768/step, 3.71076 hours remaining, 238.214844 MB of memory in use. ENERGY: 782800 4006.4653 20686.2506 14481.6214 257.8888 -203203.1135 2668.8272 0.0000 0.0000 51751.3668 -109350.6934 297.4158 -161102.0602 -108982.1745 300.1067 -26.6018 4.6537 760952.3723 -7.3826 -7.1377 PRESSURE: 783000 -85.0732 378.742 -142.469 378.743 -20.6234 150.948 -142.469 150.947 149.989 GPRESSURE: 783000 -84.8148 192.048 -64.1334 293.447 13.3559 110.123 -231.312 186.952 198.843 PRESSAVG: 783000 -55.2359 6.25713 14.6433 6.25723 16.5279 11.0084 14.6433 11.0084 -5.10742 GPRESSAVG: 783000 -55.5233 4.52758 12.6001 5.0717 17.0971 11.4619 15.9215 11.9892 -5.74045 TIMING: 783000 CPU: 2471.06, 0.00316285/step Wall: 2471.06, 0.00316285/step, 3.70492 hours remaining, 238.214844 MB of memory in use. ENERGY: 783000 3975.4712 20522.4997 14486.8118 243.6240 -203156.0297 2542.0246 0.0000 0.0000 52019.2853 -109366.3131 298.9555 -161385.5984 -109002.2587 299.6716 14.7641 42.4613 761108.6081 -14.6051 -14.7222 PRESSURE: 783200 -102.141 -141.085 31.8232 -141.085 45.7029 -78.5781 31.8232 -78.5785 184.195 GPRESSURE: 783200 -24.8138 -31.057 90.6577 -173.643 -32.3786 -41.984 -73.749 -137.402 259.092 PRESSAVG: 783200 -9.27328 7.28484 -22.3486 7.28485 17.0794 -3.58598 -22.3485 -3.58598 -12.206 GPRESSAVG: 783200 -9.34709 7.521 -22.6183 7.65803 16.1692 -3.59695 -21.0148 -6.85781 -10.8234 TIMING: 783200 CPU: 2471.7, 0.00317993/step Wall: 2471.7, 0.00317993/step, 3.72476 hours remaining, 238.214844 MB of memory in use. ENERGY: 783200 3926.1897 20451.7043 14471.4408 241.1894 -202989.9046 2333.1885 0.0000 0.0000 51949.0546 -109617.1373 298.5519 -161566.1919 -109255.7994 298.9836 42.5857 67.2999 761870.1134 -1.4666 -1.3338 PRESSURE: 783400 204.6 66.7154 34.2635 66.7159 234.613 -5.41845 34.2636 -5.41838 36.1009 GPRESSURE: 783400 341.681 105.93 62.5689 96.5206 175.19 9.0628 59.6611 -30.0231 61.4068 PRESSAVG: 783400 -1.24959 -41.255 -8.74012 -41.255 -39.1067 11.868 -8.74014 11.868 7.98805 GPRESSAVG: 783400 0.657266 -40.6058 -8.11925 -41.2405 -39.4468 11.7749 -12.1529 14.1499 7.01275 TIMING: 783400 CPU: 2472.34, 0.0032042/step Wall: 2472.34, 0.0032042/step, 3.75301 hours remaining, 238.214844 MB of memory in use. ENERGY: 783400 3942.3659 20557.0108 14428.2275 239.6850 -203385.5784 2414.4836 0.0000 0.0000 52066.3116 -109737.4940 299.2258 -161803.8056 -109372.9141 298.5075 158.4380 192.7591 760752.5349 -10.7894 -10.5923 PRESSURE: 783600 -210.756 -222.233 -72.3638 -222.233 -126.493 83.9324 -72.3635 83.9319 166.17 GPRESSURE: 783600 -175.526 -223.803 -86.2894 -240.35 -33.2062 134.567 -114.616 156.168 136.374 PRESSAVG: 783600 58.3356 -51.9253 -9.06654 -51.9253 -37.6866 24.1136 -9.06649 24.1136 16.232 GPRESSAVG: 783600 58.1285 -51.6664 -8.50009 -51.5125 -37.087 26.2405 -7.79625 22.3456 15.7405 TIMING: 783600 CPU: 2472.97, 0.00316111/step Wall: 2472.97, 0.00316111/step, 3.70237 hours remaining, 238.214844 MB of memory in use. ENERGY: 783600 3999.8224 20521.1230 14512.9131 239.7739 -203037.8288 2435.3715 0.0000 0.0000 51946.5558 -109382.2691 298.5376 -161328.8249 -109026.4050 298.6245 -57.0263 -24.1193 761290.1150 12.2936 12.2607 PRESSURE: 783800 -25.9129 51.2343 66.0244 51.2341 25.6207 -47.1424 66.0246 -47.1425 1.70172 GPRESSURE: 783800 -4.75437 91.4609 9.46195 7.89134 38.7467 -0.0053139 104.445 -44.701 47.8244 PRESSAVG: 783800 -9.55198 -118.392 29.2059 -118.392 14.3859 9.41164 29.206 9.41174 -18.294 GPRESSAVG: 783800 -10.593 -118.686 28.3643 -118.072 14.2262 9.16227 28.4423 8.36009 -17.5308 TIMING: 783800 CPU: 2473.61, 0.00317769/step Wall: 2473.61, 0.00317769/step, 3.72161 hours remaining, 238.214844 MB of memory in use. ENERGY: 783800 3917.0756 20711.6122 14491.1332 251.0000 -203335.7422 2540.6469 0.0000 0.0000 52035.5810 -109388.6932 299.0492 -161424.2743 -109037.3626 299.3877 0.4698 27.2722 761918.2477 -4.4867 -4.6326 PRESSURE: 784000 -197.362 -0.825108 114.244 -0.823967 -194.804 -124.04 114.244 -124.04 610.219 GPRESSURE: 784000 -189.639 41.0695 95.7878 -22.9515 -85.5561 -169.273 44.4606 -84.3089 562.366 PRESSAVG: 784000 -1.55434 -43.7339 41.4511 -43.7339 4.53268 3.71919 41.4511 3.71921 -2.54685 GPRESSAVG: 784000 0.159028 -44.7191 41.7814 -42.6977 3.85616 2.16818 42.2741 7.88246 -3.89902 TIMING: 784000 CPU: 2474.24, 0.00317013/step Wall: 2474.24, 0.00317013/step, 3.71258 hours remaining, 238.214844 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: 784000 3915.0700 20504.1452 14554.9331 240.7536 -202977.9308 2397.9180 0.0000 0.0000 52058.3324 -109306.7784 299.1800 -161365.1109 -108940.3735 299.6201 72.6846 95.7237 762170.6234 0.1438 0.0387 PRESSURE: 784200 485 208.04 -159.377 208.04 -50.5478 10.973 -159.377 10.9724 284.568 GPRESSURE: 784200 503.778 240.456 -160.524 155.793 -63.1461 101.71 -186.991 -3.442 370.911 PRESSAVG: 784200 34.376 -33.6177 -6.96522 -33.6177 -13.9247 4.84538 -6.96518 4.84539 13.1611 GPRESSAVG: 784200 32.7628 -33.1975 -7.72954 -33.2908 -13.3659 5.22549 -7.12577 2.10148 14.319 TIMING: 784200 CPU: 2474.88, 0.00316845/step Wall: 2474.88, 0.00316845/step, 3.71044 hours remaining, 238.214844 MB of memory in use. ENERGY: 784200 4011.9815 20623.7760 14495.9392 269.3843 -203384.6118 2712.0804 0.0000 0.0000 52044.2482 -109227.2022 299.0990 -161271.4504 -108856.3580 299.9747 239.6732 270.5140 760205.0995 11.2041 11.2386 LDB: ============= START OF LOAD BALANCING ============== 2487.33 LDB: ============== END OF LOAD BALANCING =============== 2487.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2487.33 LDB: ============= START OF LOAD BALANCING ============== 2487.65 LDB: Largest compute 7066 load 0.035933 is 18.4% of average load 0.194931 LDB: Average compute 0.004387 is 2.3% of average load 0.194931 LDB: TIME 2487.65 LOAD: AVG 0.194931 MAX 0.213831 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.715 MB LDB: TIME 2487.65 LOAD: AVG 0.194931 MAX 0.213831 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.715 MB LDB: TIME 2487.65 LOAD: AVG 0.194931 MAX 0.213831 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.715 MB LDB: ============== END OF LOAD BALANCING =============== 2487.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2487.66 PRESSURE: 784400 38.2065 -165.629 -51.9704 -165.629 129.713 -34.8011 -51.971 -34.7998 -318.124 GPRESSURE: 784400 52.3785 -302.372 -101.119 -30.2233 182.833 -65.3653 -141.659 -96.6284 -293.918 PRESSAVG: 784400 -0.436975 -48.4084 -1.88688 -48.4084 -31.2895 -10.1271 -1.8869 -10.1271 -15.0677 GPRESSAVG: 784400 0.52428 -47.2218 -2.26597 -49.6013 -31.5999 -10.8208 -3.22836 -9.34737 -15.7163 TIMING: 784400 CPU: 2475.52, 0.0032257/step Wall: 2475.52, 0.0032257/step, 3.77729 hours remaining, 238.519531 MB of memory in use. ENERGY: 784400 4050.1796 20510.1242 14478.3122 282.9978 -203513.2658 2659.3665 0.0000 0.0000 52045.4200 -109486.8656 299.1057 -161532.2856 -109130.1954 299.7665 -50.0679 -19.5688 759725.7864 -15.5980 -15.5973 PRESSURE: 784600 294.923 256.422 17.8402 256.422 -203.635 -163.838 17.8396 -163.839 -124.571 GPRESSURE: 784600 211.49 176.565 -32.3619 124.6 -87.9465 -152.389 62.5345 80.7364 -57.802 PRESSAVG: 784600 -9.45807 -28.6351 -12.7466 -28.6352 39.6806 46.4672 -12.7466 46.4672 11.5194 GPRESSAVG: 784600 -9.88151 -30.5284 -11.6382 -27.8274 39.4327 46.4318 -10.0597 47.3312 12.2587 TIMING: 784600 CPU: 2476.15, 0.00315394/step Wall: 2476.15, 0.00315394/step, 3.69309 hours remaining, 238.722656 MB of memory in use. ENERGY: 784600 4012.9898 20490.1480 14462.0842 238.5502 -203478.1563 2671.1839 0.0000 0.0000 52278.4317 -109324.7685 300.4449 -161603.2002 -108963.0843 299.4094 -11.0943 21.9139 758420.6112 13.9140 13.9366 PRESSURE: 784800 -85.6933 -46.6377 130.045 -46.638 -353.695 87.8277 130.045 87.8292 -519.851 GPRESSURE: 784800 -3.34865 5.00383 240.709 30.2755 -338.685 170.238 174.764 11.891 -529.26 PRESSAVG: 784800 -5.37462 -62.9963 21.1671 -62.9963 15.9926 63.9145 21.1671 63.9146 7.67235 GPRESSAVG: 784800 -6.01778 -62.8671 20.5188 -61.2046 15.7691 62.0778 20.0282 64.8245 8.05303 TIMING: 784800 CPU: 2476.78, 0.00314585/step Wall: 2476.78, 0.00314585/step, 3.68344 hours remaining, 238.722656 MB of memory in use. ENERGY: 784800 4004.2151 20422.7592 14499.2161 226.0947 -203289.4102 2509.0951 0.0000 0.0000 52139.0515 -109488.9785 299.6438 -161628.0300 -109129.5055 299.4099 -319.7462 -290.4314 762464.5076 6.0968 5.9348 PRESSURE: 785000 -39.1272 30.005 132.656 30.005 90.9481 -88.0518 132.656 -88.0528 30.6707 GPRESSURE: 785000 129.722 173.549 126.94 -30.1495 3.1049 -60.3167 91.7549 -109.092 34.0496 PRESSAVG: 785000 0.364919 -33.9298 16.0811 -33.9297 -10.2976 39.0815 16.0811 39.0815 3.74988 GPRESSAVG: 785000 0.549077 -30.4923 16.0163 -35.6247 -9.59842 40.458 15.7763 36.1185 2.71411 TIMING: 785000 CPU: 2477.41, 0.0031434/step Wall: 2477.41, 0.0031434/step, 3.6804 hours remaining, 238.722656 MB of memory in use. ENERGY: 785000 3960.9423 20562.9402 14526.3153 257.1232 -203823.1710 2752.1225 0.0000 0.0000 52219.4669 -109544.2607 300.1060 -161763.7276 -109182.8855 299.6382 27.4972 55.6257 759219.6936 -2.0609 -2.1117 PRESSURE: 785200 -174.76 73.3094 -122.788 73.309 -442.773 -303.908 -122.788 -303.909 -381.815 GPRESSURE: 785200 -137.284 -24.4826 -98.0394 -4.83279 -447.881 -301.208 -62.198 -308.081 -322.8 PRESSAVG: 785200 36.607 41.6945 23.2918 41.6945 -13.9457 -19.5633 23.2918 -19.5633 -2.07138 GPRESSAVG: 785200 37.0241 38.8086 22.6264 42.2723 -15.8219 -19.6816 23.061 -18.3427 -0.494736 TIMING: 785200 CPU: 2478.04, 0.00314423/step Wall: 2478.04, 0.00314423/step, 3.6812 hours remaining, 238.722656 MB of memory in use. ENERGY: 785200 4007.0086 20611.3636 14468.8877 262.2742 -202856.3982 2141.8502 0.0000 0.0000 51779.6290 -109585.3850 297.5782 -161365.0139 -109228.6817 299.3407 -333.1161 -302.6549 760541.2253 6.8633 6.9025 PRESSURE: 785400 127.062 48.5671 86.4679 48.5659 6.42615 30.3291 86.4686 30.3289 399.069 GPRESSURE: 785400 205.133 65.4549 -34.2638 38.0264 75.6736 -47.8309 15.2049 155.104 338.003 PRESSAVG: 785400 54.6994 14.6354 -38.4344 14.6353 -52.9979 15.3706 -38.4344 15.3706 -3.32966 GPRESSAVG: 785400 54.4976 16.0503 -37.5424 12.9087 -51.223 16.0375 -38.4184 15.5755 -4.40294 TIMING: 785400 CPU: 2478.68, 0.00318651/step Wall: 2478.68, 0.00318651/step, 3.73051 hours remaining, 238.722656 MB of memory in use. ENERGY: 785400 4005.2026 20619.5272 14382.3318 237.7843 -203128.6883 2376.5490 0.0000 0.0000 52032.2446 -109475.0489 299.0300 -161507.2934 -109112.3852 299.2634 177.5191 206.2699 759254.7603 -0.5427 -0.3761 PRESSURE: 785600 -110.907 -121.882 88.9539 -121.882 -412.27 -33.8467 88.9532 -33.8459 -393.29 GPRESSURE: 785600 -142.343 -46.612 39.7583 -124.17 -364.019 54.0938 149.852 -51.284 -332.032 PRESSAVG: 785600 1.73198 4.92675 5.94061 4.92675 16.3637 15.5344 5.94063 15.5345 18.5994 GPRESSAVG: 785600 1.77873 4.91738 6.40504 5.43847 15.8085 15.1499 4.3496 15.5592 19.0546 TIMING: 785600 CPU: 2479.32, 0.00320444/step Wall: 2479.32, 0.00320444/step, 3.75133 hours remaining, 238.722656 MB of memory in use. ENERGY: 785600 3961.5160 20613.7171 14525.6760 257.8859 -202964.9132 2220.3294 0.0000 0.0000 51903.9610 -109481.8278 298.2928 -161385.7888 -109122.3752 299.4788 -305.4891 -279.4648 760513.3461 12.2317 12.2140 PRESSURE: 785800 322.37 -149.251 76.1716 -149.25 356.339 29.8067 76.1724 29.8071 -114.561 GPRESSURE: 785800 380.301 -59.7328 242.91 -184.167 386.724 18.5298 64.6839 116.575 -94.2726 PRESSAVG: 785800 -52.3034 -35.4937 -13.2566 -35.4937 15.9862 0.825045 -13.2566 0.825083 4.10034 GPRESSAVG: 785800 -52.8868 -35.649 -11.5129 -33.1943 16.1876 1.76012 -11.4394 0.275565 4.00007 TIMING: 785800 CPU: 2479.96, 0.00319388/step Wall: 2479.96, 0.00319388/step, 3.73879 hours remaining, 238.722656 MB of memory in use. ENERGY: 785800 3939.5037 20338.9381 14605.5100 257.5432 -203315.6846 2461.9371 0.0000 0.0000 52293.0990 -109419.1535 300.5292 -161712.2525 -109056.2799 299.2365 188.0493 224.2506 760786.8753 -10.7389 -10.8997 PRESSURE: 786000 192.319 154.124 -17.4248 154.123 260.431 9.0524 -17.4248 9.05359 76.6585 GPRESSURE: 786000 245.734 135.099 -16.5303 187.914 302.509 65.3006 24.7784 -60.5949 90.1168 PRESSAVG: 786000 57.8075 -57.1235 43.635 -57.1236 16.572 0.469858 43.635 0.469845 -8.1888 GPRESSAVG: 786000 57.4412 -58.5165 42.3331 -58.2504 17.6057 -1.10903 44.4704 2.07685 -8.39189 TIMING: 786000 CPU: 2480.59, 0.00318253/step Wall: 2480.59, 0.00318253/step, 3.72532 hours remaining, 238.722656 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: 786000 3982.1102 20579.0289 14470.7866 256.8806 -203575.6173 2742.1022 0.0000 0.0000 52173.6245 -109371.0842 299.8425 -161544.7087 -109010.1018 299.8554 176.4696 212.7866 759743.3297 22.0636 22.2184 PRESSURE: 786200 30.7643 -60.275 -135.28 -60.2754 359.804 -46.2069 -135.279 -46.2076 -121.637 GPRESSURE: 786200 29.453 -107.936 -168.334 -7.97122 332.671 46.2648 -165.197 -30.8483 -7.24116 PRESSAVG: 786200 9.24689 21.2546 -3.68998 21.2546 4.00479 23.3688 -3.69 23.3688 -3.41541 GPRESSAVG: 786200 10.2781 22.0162 -4.44084 21.8315 3.06385 25.1464 -3.42761 21.6769 -3.74509 TIMING: 786200 CPU: 2481.22, 0.00316047/step Wall: 2481.22, 0.00316047/step, 3.69933 hours remaining, 238.722656 MB of memory in use. ENERGY: 786200 3966.6162 20389.7297 14544.3341 253.6152 -203585.5013 2605.5662 0.0000 0.0000 52452.6121 -109373.0277 301.4459 -161825.6398 -109004.0405 299.3999 89.6437 118.2943 760634.0989 3.2788 3.1989 PRESSURE: 786400 140.872 101.985 -219.093 101.984 256.787 -4.02338 -219.093 -4.02263 -65.916 GPRESSURE: 786400 47.8709 194.406 -222.835 -8.60035 340.865 -5.54448 -220.713 -45.7753 40.6988 PRESSAVG: 786400 -87.232 11.0261 -62.5344 11.0261 68.7612 -28.0957 -62.5344 -28.0958 8.05534 GPRESSAVG: 786400 -88.1886 10.4005 -61.3739 12.1636 68.8379 -28.6566 -65.4531 -29.4408 8.93136 TIMING: 786400 CPU: 2481.86, 0.00316684/step Wall: 2481.86, 0.00316684/step, 3.70661 hours remaining, 238.722656 MB of memory in use. ENERGY: 786400 3888.4931 20542.2370 14497.9253 246.6079 -203431.0065 2563.8287 0.0000 0.0000 52105.2618 -109586.6526 299.4497 -161691.9144 -109235.1972 299.2386 110.5810 143.1450 760438.1797 -3.4718 -3.4731 PRESSURE: 786600 165.704 7.72397 -142.173 7.7238 -130.523 0.570691 -142.173 0.570946 -56.4184 GPRESSURE: 786600 168.735 -8.18323 -76.757 32.2455 -84.1804 -21.7896 -122.243 -65.1148 -6.79347 PRESSAVG: 786600 2.31674 -6.59732 -17.5269 -6.59737 -28.7644 1.76282 -17.5269 1.76288 -1.25519 GPRESSAVG: 786600 1.71282 -5.35303 -18.53 -9.23101 -28.0922 2.18743 -16.4009 0.663008 -0.964331 TIMING: 786600 CPU: 2482.5, 0.0032014/step Wall: 2482.5, 0.0032014/step, 3.74688 hours remaining, 238.722656 MB of memory in use. ENERGY: 786600 3968.0962 20398.2402 14380.3808 241.6643 -203497.2217 2637.0427 0.0000 0.0000 52157.1400 -109714.6575 299.7478 -161871.7974 -109361.0281 299.2245 -7.0794 25.9204 760571.2487 -9.2343 -9.1146 PRESSURE: 786800 -91.4731 180.642 59.7171 180.642 308.467 24.8284 59.7177 24.8289 207.006 GPRESSURE: 786800 -61.0992 129.734 6.79633 241.41 337.86 14.9534 -44.5046 31.0018 231.23 PRESSAVG: 786800 15.1566 -24.3291 -8.26102 -24.3291 -30.0618 47.5374 -8.26102 47.5375 2.44558 GPRESSAVG: 786800 16.9663 -25.8808 -7.77811 -23.09 -31.0312 46.6794 -7.96125 49.6137 1.62212 TIMING: 786800 CPU: 2483.14, 0.00319123/step Wall: 2483.14, 0.00319123/step, 3.7348 hours remaining, 238.722656 MB of memory in use. ENERGY: 786800 3916.3811 20391.6784 14414.4384 258.6199 -203414.7782 2607.9899 0.0000 0.0000 52075.6575 -109750.0128 299.2795 -161825.6704 -109397.2453 298.9814 141.3331 169.3302 760572.4065 -4.1532 -4.1476 PRESSURE: 787000 105.633 15.7893 -138.103 15.7887 279.402 145.469 -138.103 145.469 184.375 GPRESSURE: 787000 90.3791 125.283 -28.5255 -27.0742 373.532 112.099 -205.817 191.793 184.15 PRESSAVG: 787000 1.76108 -7.81216 -4.67197 -7.81216 2.71967 -43.5003 -4.67196 -43.5003 -9.01956 GPRESSAVG: 787000 2.11052 -4.57468 -6.1865 -9.70089 3.07649 -44.0724 -4.77127 -41.7263 -9.65721 TIMING: 787000 CPU: 2483.77, 0.0031704/step Wall: 2483.77, 0.0031704/step, 3.71025 hours remaining, 238.722656 MB of memory in use. ENERGY: 787000 3952.8249 20426.9855 14431.2444 238.3502 -202934.1378 2451.6200 0.0000 0.0000 51876.1282 -109556.9845 298.1328 -161433.1128 -109196.1147 299.5100 189.8032 216.0200 760763.1997 -1.5129 -1.4901 PRESSURE: 787200 10.3348 -122.45 77.7136 -122.449 30.5021 71.3714 77.7137 71.3731 -207.088 GPRESSURE: 787200 72.6507 -160.049 105.342 -185.221 -8.14169 76.9364 162.377 0.870803 -150.062 PRESSAVG: 787200 -39.0714 9.65114 -12.7143 9.65114 19.1927 14.4731 -12.7142 14.4731 3.27089 GPRESSAVG: 787200 -39.6341 6.07243 -11.941 10.0646 17.2628 13.8404 -11.9109 13.3517 5.55876 TIMING: 787200 CPU: 2484.41, 0.00318338/step Wall: 2484.41, 0.00318338/step, 3.72526 hours remaining, 238.722656 MB of memory in use. ENERGY: 787200 4009.6593 20488.1968 14429.9909 250.4350 -203079.8650 2248.5111 0.0000 0.0000 52204.5469 -109448.5249 300.0202 -161653.0718 -109092.9189 299.4221 -55.4169 -28.5176 760707.5565 -5.5359 -5.6042 PRESSURE: 787400 -360.471 -124.001 59.8071 -124 -522.512 -64.2547 59.8071 -64.2546 -159.779 GPRESSURE: 787400 -318.101 -49.5525 80.2018 -117.217 -459.352 -119.211 53.4749 -83.5242 -163.76 PRESSAVG: 787400 0.749569 -3.0572 -14.2894 -3.05718 -10.857 67.4795 -14.2894 67.4795 -10.2592 GPRESSAVG: 787400 1.30764 -1.45314 -13.1029 -1.12216 -9.15686 69.2049 -14.3427 66.0736 -12.475 TIMING: 787400 CPU: 2485.05, 0.00320653/step Wall: 2485.05, 0.00320653/step, 3.75217 hours remaining, 238.722656 MB of memory in use. ENERGY: 787400 4035.9168 20481.9695 14535.0734 269.4921 -203021.9006 2351.8102 0.0000 0.0000 51934.4139 -109413.2247 298.4678 -161347.6387 -109048.6545 299.2125 -347.5872 -313.7377 761780.9742 -6.7889 -6.7747 PRESSURE: 787600 188.088 -41.0976 -72.6331 -41.0972 -110.148 -50.2918 -72.6327 -50.2909 25.6048 GPRESSURE: 787600 266.342 -43.5797 2.99958 -69.8897 -155.441 -6.10402 -190.803 -119.498 81.2888 PRESSAVG: 787600 15.302 6.48408 -33.1184 6.48406 -41.6841 39.0282 -33.1184 39.0282 11.2318 GPRESSAVG: 787600 15.4625 6.76434 -34.6479 4.8335 -42.7463 37.1831 -34.8144 40.8499 12.0034 TIMING: 787600 CPU: 2485.69, 0.00320966/step Wall: 2485.69, 0.00320967/step, 3.75566 hours remaining, 238.722656 MB of memory in use. ENERGY: 787600 3960.5612 20322.9842 14524.1718 271.9884 -203033.7749 2544.8453 0.0000 0.0000 51927.9772 -109481.2468 298.4308 -161409.2240 -109124.0795 298.8979 34.5150 64.0635 761571.5700 -5.0501 -5.0935 PRESSURE: 787800 615.057 -154.879 -302.549 -154.878 403.128 82.8576 -302.548 82.8574 -200.797 GPRESSURE: 787800 676.915 -204.745 -289.037 -105.647 454.154 86.0268 -302.387 125.988 -216.123 PRESSAVG: 787800 37.3198 47.9724 12.4171 47.9724 20.327 -46.0758 12.417 -46.0758 -6.00397 GPRESSAVG: 787800 37.1158 46.5917 12.7466 48.5296 20.749 -44.5952 12.2572 -47.0531 -5.83539 TIMING: 787800 CPU: 2486.34, 0.00323121/step Wall: 2486.34, 0.00323121/step, 3.78069 hours remaining, 238.722656 MB of memory in use. ENERGY: 787800 3998.6236 20352.8456 14508.9214 254.8298 -203538.5462 2718.8256 0.0000 0.0000 52022.9449 -109681.5553 298.9766 -161704.5002 -109327.4409 298.7895 272.4629 304.9821 760903.9005 17.2143 17.3432 PRESSURE: 788000 -327.264 118.841 -105.394 118.84 -104.116 -250.486 -105.393 -250.485 -24.1984 GPRESSURE: 788000 -236.373 108.662 -86.0367 98.2861 -62.3403 -228.598 -64.8164 -61.2012 -91.2809 PRESSAVG: 788000 -23.4806 37.2884 -23.4123 37.2884 12.9112 -3.20683 -23.4123 -3.20687 13.6056 GPRESSAVG: 788000 -23.9528 39.0451 -22.3099 36.9351 13.9253 -3.93443 -22.7163 -2.00583 13.1015 TIMING: 788000 CPU: 2486.97, 0.00317707/step Wall: 2486.97, 0.00317707/step, 3.71717 hours remaining, 238.722656 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: 788000 4011.2460 20566.4296 14440.1999 241.8957 -203337.7060 2434.4729 0.0000 0.0000 52136.4748 -109506.9869 299.6290 -161643.4618 -109144.5908 298.9696 -151.8595 -129.9982 761538.7946 1.0121 1.0247 PRESSURE: 788200 251.236 -121.122 50.9727 -121.122 320.533 -4.38877 50.9725 -4.38799 507.312 GPRESSURE: 788200 276.232 -118.518 97.8163 -53.7555 340.296 12.0454 -12.3815 -10.0558 539.465 PRESSAVG: 788200 2.95884 -7.36217 -7.57928 -7.36216 9.32148 -30.0528 -7.57927 -30.0528 -2.42104 GPRESSAVG: 788200 3.16056 -9.31541 -8.03905 -6.37797 8.08259 -30.0352 -5.45408 -30.7093 -1.47363 TIMING: 788200 CPU: 2487.61, 0.00319192/step Wall: 2487.61, 0.00319192/step, 3.73437 hours remaining, 238.722656 MB of memory in use. ENERGY: 788200 3932.2143 20469.6291 14458.5573 251.5788 -203345.6969 2485.9602 0.0000 0.0000 52151.5231 -109596.2342 299.7155 -161747.7573 -109243.9923 299.4056 359.6937 385.3306 760553.1439 3.2864 3.2565 LDB: ============= START OF LOAD BALANCING ============== 2500.07 LDB: ============== END OF LOAD BALANCING =============== 2500.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2500.07 LDB: ============= START OF LOAD BALANCING ============== 2500.39 LDB: Largest compute 7034 load 0.038598 is 19.8% of average load 0.194935 LDB: Average compute 0.004379 is 2.2% of average load 0.194935 LDB: TIME 2500.39 LOAD: AVG 0.194935 MAX 0.211308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 2500.39 LOAD: AVG 0.194935 MAX 0.211308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: TIME 2500.39 LOAD: AVG 0.194935 MAX 0.211308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: ============== END OF LOAD BALANCING =============== 2500.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2500.4 PRESSURE: 788400 44.6763 -34.1338 137.076 -34.1339 206.876 178.937 137.075 178.937 11.3593 GPRESSURE: 788400 85.2756 -107.787 142.049 -22.3212 194.764 144.687 5.13624 230.713 69.8249 PRESSAVG: 788400 7.87569 10.92 -27.0584 10.92 25.3154 19.4431 -27.0584 19.4431 2.85288 GPRESSAVG: 788400 8.177 11.6578 -27.5632 10.8226 25.6251 18.3209 -30.9155 20.6574 2.43751 TIMING: 788400 CPU: 2488.27, 0.00327692/step Wall: 2488.27, 0.00327691/step, 3.83363 hours remaining, 236.730469 MB of memory in use. ENERGY: 788400 3980.5654 20412.6958 14470.0623 254.2179 -203046.5203 2379.3888 0.0000 0.0000 52026.3719 -109523.2182 298.9963 -161549.5900 -109164.1913 298.8357 87.6371 116.6214 759578.4404 12.0146 12.0799 PRESSURE: 788600 -145.98 -295.649 -203.868 -295.649 38.8864 47.6959 -203.869 47.6967 -71.9721 GPRESSURE: 788600 -156.608 -115.597 -188.52 -299.742 113.467 -11.1155 -105.124 -3.30552 -27.7653 PRESSAVG: 788600 4.84584 -35.037 -30.2382 -35.037 0.9338 -22.4986 -30.2382 -22.4986 10.735 GPRESSAVG: 788600 5.46308 -35.5712 -28.9998 -35.2614 0.237379 -21.961 -27.5157 -25.2645 11.0426 TIMING: 788600 CPU: 2488.91, 0.00320156/step Wall: 2488.91, 0.00320156/step, 3.7453 hours remaining, 236.730469 MB of memory in use. ENERGY: 788600 3927.3470 20393.1025 14500.5944 250.5192 -203586.5684 2613.2418 0.0000 0.0000 52156.4848 -109745.2786 299.7440 -161901.7634 -109369.2971 298.7628 -59.6886 -23.6354 760606.3983 5.5049 5.5810 PRESSURE: 788800 213.715 -110.295 52.5403 -110.296 -22.4478 -177.943 52.5396 -177.944 -254.255 GPRESSURE: 788800 248.26 -130.03 47.9555 -79.3386 -24.9872 -211.482 93.1499 -109.968 -197.248 PRESSAVG: 788800 -39.4378 -21.6745 -52.9374 -21.6745 18.5205 -14.9248 -52.9375 -14.9247 7.30602 GPRESSAVG: 788800 -39.8466 -20.7007 -55.8839 -22.2487 19.3746 -14.4545 -51.4489 -12.4153 7.25165 TIMING: 788800 CPU: 2489.55, 0.00321075/step Wall: 2489.55, 0.00321075/step, 3.75586 hours remaining, 236.730469 MB of memory in use. ENERGY: 788800 3958.6185 20575.7085 14474.2183 242.6584 -202946.4160 2217.9998 0.0000 0.0000 51689.7614 -109787.4510 297.0618 -161477.2124 -109432.9917 298.0677 -20.9959 8.6751 760856.1228 -4.5371 -4.4068 PRESSURE: 789000 286.838 -73.896 -9.00879 -73.8955 -101.882 -181.504 -9.00854 -181.503 -301.276 GPRESSURE: 789000 143.414 -28.6605 -89.7938 -140.355 52.1552 -164.298 -4.44599 -167.837 -206.715 PRESSAVG: 789000 2.97667 -28.1682 -106.425 -28.1682 -10.7606 -31.7077 -106.425 -31.7077 8.61497 GPRESSAVG: 789000 3.04293 -29.809 -105.679 -27.4599 -11.1745 -31.1638 -107.495 -33.7299 9.41265 TIMING: 789000 CPU: 2490.2, 0.003239/step Wall: 2490.2, 0.003239/step, 3.78873 hours remaining, 236.730469 MB of memory in use. ENERGY: 789000 4017.7916 20619.6718 14450.3959 240.1042 -203533.3247 2408.8221 0.0000 0.0000 51932.8091 -109863.7301 298.4586 -161796.5392 -109498.7393 298.4648 -38.7733 -3.7153 759969.7274 0.2770 0.4270 PRESSURE: 789200 -182.313 -104.319 -51.7625 -104.318 147.615 28.8826 -51.7629 28.8827 67.2737 GPRESSURE: 789200 -49.2027 -11.7349 -46.8772 -6.23721 221.766 10.9509 -43.7857 -19.7323 -39.6968 PRESSAVG: 789200 43.0441 -17.653 -30.7303 -17.653 -14.4097 -6.89367 -30.7303 -6.89374 -22.7844 GPRESSAVG: 789200 42.9467 -15.7282 -28.9656 -17.9534 -13.9266 -7.33933 -31.721 -6.97942 -23.2058 TIMING: 789200 CPU: 2490.84, 0.00321127/step Wall: 2490.84, 0.00321127/step, 3.75612 hours remaining, 236.730469 MB of memory in use. ENERGY: 789200 3961.3134 20483.0602 14353.0780 240.3588 -203441.0499 2374.8698 0.0000 0.0000 52083.8098 -109944.5599 299.3264 -162028.3698 -109579.6305 298.3835 10.8585 44.2887 760682.1537 1.9500 1.9381 PRESSURE: 789400 -169.192 -72.961 -114.779 -72.9607 39.4892 168.526 -114.778 168.526 -420.756 GPRESSURE: 789400 -100.393 -111.069 -130.515 -68.2674 -11.9027 174.467 2.54458 107.796 -370.037 PRESSAVG: 789400 -0.732536 3.70371 -15.8612 3.70366 -9.74874 32.8812 -15.8612 32.8812 16.7358 GPRESSAVG: 789400 0.10708 2.04679 -15.3987 3.45611 -9.95917 34.5505 -15.6193 33.6009 16.1552 TIMING: 789400 CPU: 2491.47, 0.0031782/step Wall: 2491.47, 0.0031782/step, 3.71725 hours remaining, 236.730469 MB of memory in use. ENERGY: 789400 4017.2622 20564.4097 14501.8437 245.0791 -203403.6047 2300.8886 0.0000 0.0000 51934.4619 -109839.6596 298.4681 -161774.1215 -109489.4580 298.5375 -183.4866 -160.7775 760437.9429 2.0848 2.1010 PRESSURE: 789600 133.125 73.1429 80.5711 73.1421 -44.4285 148.817 80.5705 148.818 -273.497 GPRESSURE: 789600 113.716 67.4696 -14.5098 4.42701 -55.9266 182.799 63.4704 84.8612 -165.024 PRESSAVG: 789600 66.5487 26.7855 -39.231 26.7855 -35.4865 13.4533 -39.2309 13.4533 10.5786 GPRESSAVG: 789600 64.787 25.5 -40.4624 28.3999 -33.8353 12.4019 -37.0179 13.9827 10.6868 TIMING: 789600 CPU: 2492.12, 0.00321018/step Wall: 2492.12, 0.00321018/step, 3.75448 hours remaining, 236.730469 MB of memory in use. ENERGY: 789600 4003.4043 20441.4613 14501.2211 248.3225 -203138.4745 2268.1729 0.0000 0.0000 51751.6299 -109924.2626 297.4173 -161675.8924 -109564.9718 298.4307 -61.6001 -35.7451 759231.9218 13.8803 13.8795 PRESSURE: 789800 458.266 103.038 126.784 103.038 54.6023 -118.282 126.785 -118.284 -94.7895 GPRESSURE: 789800 463.976 -8.57652 96.0984 115.711 202.03 -234.099 93.1287 10.5242 -158.418 PRESSAVG: 789800 -20.4702 -42.1138 -71.8605 -42.1138 33.086 6.11868 -71.8605 6.11867 -15.2543 GPRESSAVG: 789800 -17.4641 -40.9877 -73.4406 -44.9503 31.4277 5.72057 -72.8806 5.81908 -15.5982 TIMING: 789800 CPU: 2492.77, 0.00324986/step Wall: 2492.77, 0.00324987/step, 3.80072 hours remaining, 236.730469 MB of memory in use. ENERGY: 789800 3887.9298 20349.3714 14440.9281 250.6699 -202929.0774 2307.9034 0.0000 0.0000 51942.4827 -109749.7921 298.5142 -161692.2748 -109379.2771 298.6718 139.3596 169.1959 759728.3316 -0.8795 -0.5449 PRESSURE: 790000 -349.168 -33.9173 25.631 -33.9177 3.87866 -2.6657 25.6313 -2.66601 198.167 GPRESSURE: 790000 -413.832 68.6432 46.913 -4.53483 89.6839 3.76264 110.368 38.5589 252.239 PRESSAVG: 790000 41.2293 -30.8351 -29.1035 -30.8351 13.0721 22.7472 -29.1035 22.7472 -24.6722 GPRESSAVG: 790000 40.0838 -30.6505 -27.6723 -30.5463 13.8827 22.9615 -28.6396 20.9253 -23.9228 TIMING: 790000 CPU: 2493.41, 0.00322497/step Wall: 2493.41, 0.00322497/step, 3.77142 hours remaining, 236.730469 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: 790000 4019.8087 20602.3254 14475.8953 266.6426 -203385.4928 2435.5223 0.0000 0.0000 51843.8086 -109741.4899 297.9471 -161585.2985 -109386.2144 298.8043 -49.0408 -23.9696 759740.4088 9.8764 10.0146 PRESSURE: 790200 63.5277 -11.3921 -87.6576 -11.3921 -290.176 118.146 -87.6568 118.146 -79.5287 GPRESSURE: 790200 105.187 -207.223 -90.8459 80.6192 -259.999 162.251 -126.165 172.7 -45.2405 PRESSAVG: 790200 32.1357 -32.1262 -1.29086 -32.1262 -24.8313 54.3476 -1.29083 54.3476 25.3087 GPRESSAVG: 790200 32.4618 -34.7186 -2.12481 -30.3195 -24.8267 55.566 -3.72956 55.5122 24.5961 TIMING: 790200 CPU: 2494.05, 0.00319167/step Wall: 2494.05, 0.00319167/step, 3.7323 hours remaining, 236.730469 MB of memory in use. ENERGY: 790200 3974.5912 20169.5932 14415.1120 241.2984 -202902.2516 2412.0140 0.0000 0.0000 52028.5903 -109661.0524 299.0090 -161689.6427 -109286.1134 298.7897 -102.0589 -66.6844 761012.1427 10.8710 10.7437 PRESSURE: 790400 -202.287 -100.047 -267.922 -100.047 40.7083 290.101 -267.922 290.101 -74.0665 GPRESSURE: 790400 -96.4413 -105.205 -225.428 -102.258 -17.8334 206.143 -218.548 303.639 -15.9495 PRESSAVG: 790400 -1.45039 -15.483 -26.7961 -15.483 36.2045 44.2968 -26.7961 44.2968 -18.3854 GPRESSAVG: 790400 -0.739577 -12.84 -26.3817 -16.5596 35.1485 43.7791 -25.5545 45.3114 -18.0758 TIMING: 790400 CPU: 2494.69, 0.00318695/step Wall: 2494.69, 0.00318696/step, 3.72661 hours remaining, 236.730469 MB of memory in use. ENERGY: 790400 3932.8104 20480.3427 14496.6228 240.3527 -203452.0771 2386.3183 0.0000 0.0000 52188.6733 -109726.9570 299.9290 -161915.6302 -109354.6613 299.2548 -78.5483 -43.4081 759654.5212 5.4562 5.4444 PRESSURE: 790600 -253.946 71.1312 -68.4201 71.1321 -97.6078 20.7173 -68.42 20.7176 -265.4 GPRESSURE: 790600 -188.033 94.3982 53.9808 49.7517 -113.394 50.7656 -176.498 24.8125 -236.02 PRESSAVG: 790600 7.19234 -38.9278 6.39912 -38.9278 38.2023 -4.88222 6.39915 -4.88221 10.532 GPRESSAVG: 790600 7.87798 -38.9814 6.9774 -40.3429 38.8496 -4.27672 9.5149 -5.75042 9.76048 TIMING: 790600 CPU: 2495.33, 0.00320101/step Wall: 2495.33, 0.00320101/step, 3.74287 hours remaining, 236.730469 MB of memory in use. ENERGY: 790600 3970.2353 20553.4183 14466.9329 254.9922 -203328.2520 2317.5804 0.0000 0.0000 52249.6896 -109515.4033 300.2797 -161765.0929 -109141.3474 299.2982 -205.6514 -179.1491 759678.2662 18.6422 18.8294 PRESSURE: 790800 -49.6907 19.3768 -2.32833 19.3766 -69.784 37.4421 -2.32837 37.4417 -72.4103 GPRESSURE: 790800 -46.8478 34.0934 -56.3593 16.0217 28.5891 -11.8428 -130.644 -77.7773 -77.9882 PRESSAVG: 790800 -10.0934 49.4562 26.4523 49.4563 26.8823 15.3523 26.4524 15.3522 -8.62813 GPRESSAVG: 790800 -11.0381 48.2524 27.5887 50.1615 26.2598 16.5962 23.7887 15.7957 -7.57911 TIMING: 790800 CPU: 2495.97, 0.0031954/step Wall: 2495.97, 0.0031954/step, 3.73613 hours remaining, 236.730469 MB of memory in use. ENERGY: 790800 3984.7801 20546.3893 14484.8141 251.1948 -203130.9615 2112.1041 0.0000 0.0000 52110.8524 -109640.8266 299.4818 -161751.6790 -109282.5647 299.2692 -63.9617 -32.0823 758790.2472 2.7203 2.5475 PRESSURE: 791000 -369.31 -34.0175 4.23408 -34.017 -196.789 131.582 4.23326 131.582 -557.505 GPRESSURE: 791000 -292.186 -107.389 40.3014 9.95291 -162.767 81.2719 62.3463 194.73 -561.996 PRESSAVG: 791000 -12.3091 3.97234 -9.74743 3.9723 -56.4021 6.98475 -9.74743 6.9848 7.90986 GPRESSAVG: 791000 -12.1569 5.45708 -10.2185 5.67685 -56.5844 4.54211 -10.2938 7.5197 7.7917 TIMING: 791000 CPU: 2496.61, 0.00322531/step Wall: 2496.61, 0.00322531/step, 3.77093 hours remaining, 236.730469 MB of memory in use. ENERGY: 791000 3947.4040 20493.1938 14448.2173 251.5480 -202894.7677 2064.8379 0.0000 0.0000 52127.7851 -109561.7817 299.5791 -161689.5668 -109201.2825 299.2949 -374.5343 -338.9830 760219.4634 -20.2671 -20.3165 PRESSURE: 791200 197.602 42.8746 -75.718 42.8737 159.21 -45.7478 -75.7185 -45.7485 100.673 GPRESSURE: 791200 191.17 10.0119 -99.2437 -77.5944 175.658 25.0898 -112.097 -73.8668 176.884 PRESSAVG: 791200 -12.2716 -1.98835 -21.0913 -1.98837 -3.29935 11.4445 -21.0912 11.4445 -13.6411 GPRESSAVG: 791200 -12.3883 -3.27533 -21.4769 -5.4417 -3.15506 12.7337 -18.1061 10.0617 -13.2655 TIMING: 791200 CPU: 2497.25, 0.00322098/step Wall: 2497.25, 0.00322098/step, 3.76568 hours remaining, 236.730469 MB of memory in use. ENERGY: 791200 3972.1181 20450.3832 14462.6671 261.5263 -203510.2661 2579.8157 0.0000 0.0000 52144.3161 -109639.4396 299.6741 -161783.7557 -109279.4676 299.5125 152.4953 181.2373 759578.1990 -9.7374 -9.6030 PRESSURE: 791400 108.544 2.80978 77.2488 2.8106 -23.0087 85.5352 77.2482 85.5351 22.0484 GPRESSURE: 791400 178.87 -72.8088 42.1287 119.133 -39.0432 63.8909 51.058 39.6248 42.3476 PRESSAVG: 791400 7.46081 60.8247 1.22703 60.8246 36.3901 13.3964 1.22702 13.3964 2.96219 GPRESSAVG: 791400 6.74743 62.607 2.02253 61.6739 37.2045 13.1594 -0.497196 13.1275 3.17686 TIMING: 791400 CPU: 2497.89, 0.00316947/step Wall: 2497.89, 0.00316947/step, 3.70528 hours remaining, 236.730469 MB of memory in use. ENERGY: 791400 4003.8483 20543.9122 14456.0932 264.7872 -203140.0721 2289.7062 0.0000 0.0000 52027.0604 -109554.6646 299.0002 -161581.7250 -109201.1830 299.4889 35.8613 60.7249 758881.3933 15.6044 15.7096 PRESSURE: 791600 60.0707 -224.286 171.783 -224.286 -81.4144 106.31 171.783 106.311 26.3481 GPRESSURE: 791600 97.712 -280.773 152.968 -289.105 -64.2533 55.8512 106.694 156.783 57.1177 PRESSAVG: 791600 -23.6255 -30.9259 -50.271 -30.9258 57.2506 20.8954 -50.271 20.8953 4.42612 GPRESSAVG: 791600 -22.4989 -32.0122 -51.5439 -30.0967 56.2999 19.1824 -51.136 22.4232 3.96645 TIMING: 791600 CPU: 2498.53, 0.00318337/step Wall: 2498.53, 0.00318337/step, 3.72136 hours remaining, 236.730469 MB of memory in use. ENERGY: 791600 3953.4241 20650.0496 14417.4933 224.4230 -203147.1768 2310.8603 0.0000 0.0000 52185.7975 -109405.1290 299.9125 -161590.9265 -109030.9858 299.0695 1.6682 30.1921 759402.6165 12.6837 12.5891 PRESSURE: 791800 -49.8322 78.812 -36.2109 78.8125 -83.8225 -91.4238 -36.2108 -91.4234 148.844 GPRESSURE: 791800 -69.8932 18.7866 -72.6674 80.1533 32.6484 -79.2676 -58.5191 -23.4843 143.026 PRESSAVG: 791800 -31.8799 -62.9138 -27.7859 -62.9137 -7.32586 25.3332 -27.7859 25.3331 -13.3948 GPRESSAVG: 791800 -32.197 -64.7454 -27.121 -62.2376 -6.12934 26.4129 -27.1026 27.2967 -13.9162 TIMING: 791800 CPU: 2499.16, 0.00317539/step Wall: 2499.16, 0.00317539/step, 3.71185 hours remaining, 236.730469 MB of memory in use. ENERGY: 791800 3999.1313 20611.9163 14484.2578 241.6146 -202880.4234 2268.6887 0.0000 0.0000 52225.8294 -109048.9852 300.1426 -161274.8146 -108682.6135 299.9736 5.0632 35.2604 760044.2098 -17.5335 -17.4142 PRESSURE: 792000 -241.31 5.82024 -45.0236 5.81975 -240.627 85.1521 -45.0239 85.1516 -254.487 GPRESSURE: 792000 -149.834 -141.651 10.2351 -26.3825 -227.844 93.7037 -21.5669 51.2181 -277.786 PRESSAVG: 792000 -1.35613 3.65249 -45.8901 3.65258 -14.8349 40.5958 -45.8902 40.5958 -20.8088 GPRESSAVG: 792000 -2.81409 4.36774 -44.739 4.26097 -14.5995 41.7465 -46.9899 37.8466 -20.1729 TIMING: 792000 CPU: 2499.8, 0.00317368/step Wall: 2499.8, 0.00317367/step, 3.70967 hours remaining, 236.730469 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: 792000 4076.7059 20479.5797 14451.1590 227.7560 -202802.7669 2140.6505 0.0000 0.0000 52461.5653 -108965.3506 301.4973 -161426.9159 -108604.0998 300.6445 -245.4747 -218.4879 760351.2515 -12.3333 -12.5288 PRESSURE: 792200 161.084 26.1632 325.574 26.1628 227.68 -106.712 325.573 -106.712 7.36554 GPRESSURE: 792200 130.884 48.2752 367.805 -26.0731 276.341 -103.616 148.283 -156.088 67.8298 PRESSAVG: 792200 23.9723 13.1622 -13.53 13.1621 -2.12673 43.0346 -13.5301 43.0345 3.1909 GPRESSAVG: 792200 24.3852 13.7064 -14.1516 12.6057 -2.91749 41.495 -13.457 43.6149 3.48189 TIMING: 792200 CPU: 2500.43, 0.00317616/step Wall: 2500.43, 0.00317616/step, 3.7124 hours remaining, 236.730469 MB of memory in use. ENERGY: 792200 3988.4146 20425.3824 14547.8908 235.3895 -203187.6088 2335.3463 0.0000 0.0000 52741.4455 -108913.7396 303.1058 -161655.1851 -108544.3069 300.8711 132.0432 158.3516 759168.4080 8.3455 8.3165 LDB: ============= START OF LOAD BALANCING ============== 2512.88 LDB: ============== END OF LOAD BALANCING =============== 2512.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2512.89 LDB: ============= START OF LOAD BALANCING ============== 2513.2 LDB: Largest compute 7070 load 0.035729 is 18.3% of average load 0.195036 LDB: Average compute 0.004375 is 2.2% of average load 0.195036 LDB: TIME 2513.21 LOAD: AVG 0.195036 MAX 0.219042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 2513.21 LOAD: AVG 0.195036 MAX 0.219042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: TIME 2513.21 LOAD: AVG 0.195036 MAX 0.216231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: ============== END OF LOAD BALANCING =============== 2513.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2513.22 PRESSURE: 792400 282.428 37.0879 126.677 37.0882 -294.112 159.483 126.678 159.483 -319.556 GPRESSURE: 792400 217.011 -34.834 131.669 16.1679 -206.866 233.965 106.376 67.564 -282.432 PRESSAVG: 792400 8.43018 47.8022 -36.0702 47.8022 -5.37846 43.5515 -36.0702 43.5516 7.20053 GPRESSAVG: 792400 8.96632 45.5416 -36.532 46.3331 -5.18587 44.6426 -34.8922 43.3948 6.50604 TIMING: 792400 CPU: 2501.08, 0.00324617/step Wall: 2501.08, 0.00324618/step, 3.79406 hours remaining, 236.472656 MB of memory in use. ENERGY: 792400 4047.6577 20575.6992 14402.5429 259.8338 -202910.1178 2378.7086 0.0000 0.0000 52390.5945 -108855.0811 301.0895 -161245.6756 -108481.9208 300.7544 -110.4133 -90.7626 761037.5880 3.4174 3.4288 PRESSURE: 792600 -25.1883 85.5454 -114.474 85.5453 -196.744 44.2355 -114.473 44.235 -117.791 GPRESSURE: 792600 29.2268 -8.75999 -83.8394 46.8413 -149.081 120.167 -101.124 75.2739 -119.575 PRESSAVG: 792600 21.2442 3.82651 -12.3377 3.82654 -3.99915 23.3978 -12.3377 23.3979 17.2233 GPRESSAVG: 792600 20.9071 6.30366 -11.4601 5.78484 -3.66376 22.8508 -11.9763 21.9736 17.024 TIMING: 792600 CPU: 2501.71, 0.00315991/step Wall: 2501.71, 0.00315991/step, 3.69306 hours remaining, 236.562500 MB of memory in use. ENERGY: 792600 4026.0085 20551.3977 14413.0839 236.1963 -203005.8904 2314.0396 0.0000 0.0000 52467.6086 -108997.5558 301.5321 -161465.1643 -108631.5587 300.8557 -113.2410 -79.8097 760831.5453 11.4895 11.4225 PRESSURE: 792800 154.31 43.9242 249.388 43.924 -13.759 75.5577 249.389 75.5572 316.439 GPRESSURE: 792800 180.003 11.8885 227.673 148.378 17.5575 54.5177 243.363 16.9767 346.303 PRESSAVG: 792800 81.599 4.47531 7.34592 4.47527 -46.9909 10.0924 7.34589 10.0924 16.9374 GPRESSAVG: 792800 82.5188 4.95951 7.45109 5.00174 -47.0123 11.1814 7.09951 11.6559 16.196 TIMING: 792800 CPU: 2502.35, 0.00318034/step Wall: 2502.35, 0.00318034/step, 3.71675 hours remaining, 236.562500 MB of memory in use. ENERGY: 792800 4016.8709 20662.0817 14432.6602 255.2263 -203399.5702 2692.4955 0.0000 0.0000 52207.0738 -109133.1618 300.0348 -161340.2356 -108774.6969 300.1482 152.3302 181.2878 759674.0141 17.1818 17.2342 PRESSURE: 793000 -447.607 101.769 -7.84501 101.768 -162.15 257.232 -7.84475 257.231 -779.468 GPRESSURE: 793000 -366.949 195.173 10.2203 30.578 -158.525 257.977 -28.3858 117.577 -770.504 PRESSAVG: 793000 31.181 0.342759 69.1261 0.342793 -32.5634 45.6342 69.1261 45.6342 -8.69993 GPRESSAVG: 793000 30.5774 1.49784 67.4045 0.892528 -32.7874 45.9342 68.307 45.9159 -8.04172 TIMING: 793000 CPU: 2502.98, 0.00317911/step Wall: 2502.98, 0.00317911/step, 3.71515 hours remaining, 236.562500 MB of memory in use. ENERGY: 793000 4004.0507 20520.6032 14510.4926 247.1765 -202423.8907 1879.0984 0.0000 0.0000 52210.0837 -109052.3857 300.0521 -161262.4694 -108692.1053 300.3639 -463.0750 -431.9929 760431.9763 -3.3608 -3.4172 PRESSURE: 793200 -422.258 -39.4161 -22.5157 -39.4162 -234.971 185.256 -22.5151 185.256 -286.099 GPRESSURE: 793200 -303.09 -76.1293 24.5923 -45.1239 -254.065 170.509 58.2762 220.589 -290.966 PRESSAVG: 793200 21.9334 -15.0936 14.2347 -15.0936 -19.298 38.6564 14.2348 38.6563 2.87016 GPRESSAVG: 793200 21.6604 -15.8134 14.5263 -17.8086 -18.5841 36.2957 13.7056 39.0932 1.88674 TIMING: 793200 CPU: 2503.62, 0.00317759/step Wall: 2503.62, 0.00317759/step, 3.71319 hours remaining, 236.562500 MB of memory in use. ENERGY: 793200 4076.1312 20603.8547 14410.6175 283.1562 -203092.9239 2301.2380 0.0000 0.0000 52171.6684 -109246.2579 299.8313 -161417.9263 -108882.5802 300.0172 -314.4427 -282.7070 760325.7796 1.8352 1.6544 PRESSURE: 793400 -388.778 424.217 -112.258 424.216 -20.7313 -112.146 -112.259 -112.146 347.672 GPRESSURE: 793400 -307.866 238.91 -151.51 274.619 25.8877 -29.9464 -74.0626 -151.596 305.24 PRESSAVG: 793400 15.318 12.4358 -4.16162 12.4357 -22.2842 52.3619 -4.16154 52.3619 24.965 GPRESSAVG: 793400 15.7151 12.5234 -4.16445 12.6272 -23.352 54.1429 -4.2431 52.0544 25.2156 TIMING: 793400 CPU: 2504.25, 0.00317299/step Wall: 2504.25, 0.00317299/step, 3.70764 hours remaining, 236.562500 MB of memory in use. ENERGY: 793400 4024.6380 20454.6627 14482.8142 250.8900 -203401.6256 2686.3813 0.0000 0.0000 52095.3520 -109406.8875 299.3927 -161502.2395 -109036.0510 299.8562 -20.6125 7.7537 761326.9086 5.9996 5.8596 PRESSURE: 793600 -337.457 -3.5777 6.59943 -3.57725 41.0939 -45.6067 6.59869 -45.6084 -199.63 GPRESSURE: 793600 -263.701 27.8712 123.619 39.3461 31.7779 -37.5917 34.5638 -71.8479 -181.964 PRESSAVG: 793600 -2.74294 -4.19289 -9.87212 -4.19288 -0.877745 6.82585 -9.87211 6.82585 -25.8938 GPRESSAVG: 793600 -3.79383 -4.8312 -9.89091 -3.76 -0.752908 7.85893 -9.1553 7.09824 -25.1444 TIMING: 793600 CPU: 2504.89, 0.00319439/step Wall: 2504.89, 0.00319439/step, 3.73247 hours remaining, 236.562500 MB of memory in use. ENERGY: 793600 3958.1328 20690.9063 14455.6200 235.9207 -203182.5848 2253.3641 0.0000 0.0000 52105.6843 -109482.9565 299.4521 -161588.6409 -109132.2198 299.7949 -165.3311 -137.9622 760675.3736 -9.8382 -9.8970 PRESSURE: 793800 -77.714 37.2224 121.393 37.2224 31.3435 312.226 121.393 312.227 -127.159 GPRESSURE: 793800 -6.54509 -101.936 191.108 -7.32659 72.2879 293.825 -28.9191 283.962 -174.264 PRESSAVG: 793800 -1.81663 -25.1959 -3.8104 -25.1959 1.10478 -40.0328 -3.81029 -40.0329 23.0053 GPRESSAVG: 793800 -0.954185 -25.244 -2.94671 -26.5972 0.298676 -42.0304 -4.44183 -40.01 22.7699 TIMING: 793800 CPU: 2505.53, 0.00318798/step Wall: 2505.53, 0.00318798/step, 3.7248 hours remaining, 236.562500 MB of memory in use. ENERGY: 793800 3983.1280 20432.5856 14448.9413 240.9185 -203022.0120 2221.7828 0.0000 0.0000 52073.4699 -109621.1859 299.2669 -161694.6558 -109263.5858 299.8402 -57.8433 -36.1738 759722.5650 7.4312 7.3715 PRESSURE: 794000 -322.343 -134.73 92.0663 -134.729 -274.989 43.8116 92.0667 43.8115 -153.29 GPRESSURE: 794000 -349.811 -158.744 44.2618 -36.9429 -256.084 20.5568 94.4041 91.6507 -75.0416 PRESSAVG: 794000 85.0825 -49.4908 -44.2444 -49.4908 -64.4462 23.6374 -44.2444 23.6374 10.5241 GPRESSAVG: 794000 84.4859 -49.961 -45.4237 -49.4229 -64.2723 22.8805 -44.8795 22.576 10.2143 TIMING: 794000 CPU: 2506.17, 0.00318728/step Wall: 2506.17, 0.00318728/step, 3.72381 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: 794000 4000.9401 20518.8886 14467.3355 247.8949 -203170.4576 2311.7769 0.0000 0.0000 52018.8626 -109604.7590 298.9531 -161623.6216 -109237.8710 298.9155 -250.2076 -226.9789 761351.7494 10.3868 10.1426 PRESSURE: 794200 151.048 80.4778 17.3855 80.4784 140.762 6.06176 17.3862 6.06047 325.544 GPRESSURE: 794200 123.789 137.865 -10.1569 144.696 249.253 -35.9488 55.0148 -29.9201 335.044 PRESSAVG: 794200 -9.58643 -39.8843 -0.730335 -39.8842 -21.3003 -10.5955 -0.73039 -10.5954 3.1623 GPRESSAVG: 794200 -10.0595 -39.9813 -0.847878 -38.6304 -21.5914 -7.89319 1.71736 -10.7265 3.87272 TIMING: 794200 CPU: 2506.81, 0.00319508/step Wall: 2506.81, 0.00319508/step, 3.73275 hours remaining, 236.562500 MB of memory in use. ENERGY: 794200 4030.1600 20313.6219 14453.2792 234.0400 -203189.6868 2645.8670 0.0000 0.0000 52013.0483 -109499.6704 298.9197 -161512.7187 -109144.9205 299.0117 205.7845 236.0286 758660.2891 -9.2415 -9.2594 PRESSURE: 794400 384.574 57.7962 180.331 57.7969 -85.596 270.498 180.332 270.499 198.746 GPRESSURE: 794400 385.136 113.971 161.886 33.9173 13.9773 286.218 146.616 191.357 194.115 PRESSAVG: 794400 30.9664 -36.0643 -14.4928 -36.0643 -13.9904 27.1332 -14.4928 27.1331 7.98781 GPRESSAVG: 794400 29.9034 -32.1317 -16.3044 -35.8063 -13.2532 24.8027 -15.8157 29.2701 8.6085 TIMING: 794400 CPU: 2507.45, 0.00321251/step Wall: 2507.45, 0.00321251/step, 3.75293 hours remaining, 236.562500 MB of memory in use. ENERGY: 794400 3996.8427 20518.4324 14500.0530 267.8153 -203448.6203 2670.3304 0.0000 0.0000 52131.9094 -109363.2370 299.6028 -161495.1465 -109002.2506 299.0223 165.9079 197.7425 759252.4777 8.3213 8.4196 PRESSURE: 794600 237.578 113.311 -41.8288 113.311 61.8599 -135.747 -41.828 -135.747 -461.267 GPRESSURE: 794600 212.745 51.0289 4.75955 65.5853 44.0857 -99.9199 2.74094 -210.797 -337.939 PRESSAVG: 794600 44.113 -15.8631 18.9211 -15.8631 -39.8792 -48.0339 18.9212 -48.0339 -8.30546 GPRESSAVG: 794600 45.4203 -16.922 19.3787 -16.828 -39.7868 -46.1267 19.4186 -51.159 -9.35146 TIMING: 794600 CPU: 2508.09, 0.00318885/step Wall: 2508.09, 0.00318885/step, 3.72511 hours remaining, 236.562500 MB of memory in use. ENERGY: 794600 4016.5874 20502.8348 14416.1753 260.8499 -202985.1085 2347.5951 0.0000 0.0000 52107.2843 -109333.7819 299.4613 -161441.0661 -108979.5402 299.7250 -53.9430 -27.0361 759758.7390 -1.3572 -1.2393 PRESSURE: 794800 342.144 31.6091 -20.3913 31.6087 64.3918 -42.0849 -20.3905 -42.0841 -217.412 GPRESSURE: 794800 318.392 -16.2473 -164.749 -90.0661 126.922 -35.4236 2.3925 38.3065 -185.617 PRESSAVG: 794800 31.7227 16.3547 -40.5074 16.3547 -74.5254 40.2474 -40.5073 40.2474 -15.3459 GPRESSAVG: 794800 31.9199 16.2278 -38.8191 16.8205 -74.6856 38.5894 -39.9194 43.5193 -15.522 TIMING: 794800 CPU: 2508.72, 0.00318216/step Wall: 2508.72, 0.00318216/step, 3.71712 hours remaining, 236.562500 MB of memory in use. ENERGY: 794800 3979.7120 20523.3709 14472.7419 233.2886 -202787.1859 2230.4853 0.0000 0.0000 51969.0558 -109378.5314 298.6669 -161347.5872 -109025.0388 300.1289 63.0412 86.5658 759773.9456 -19.3829 -19.4292 PRESSURE: 795000 2.62928 157.274 -9.8025 157.274 38.499 93.8971 -9.8021 93.8973 -234.685 GPRESSURE: 795000 43.9449 234.497 14.1129 101.56 46.4096 94.0006 -170.086 87.4686 -188.033 PRESSAVG: 795000 27.8125 11.067 -46.9018 11.067 -41.1035 10.559 -46.9018 10.559 1.0695 GPRESSAVG: 795000 27.5183 10.0883 -46.9265 12.8522 -42.0251 10.0033 -47.5491 10.8865 1.99172 TIMING: 795000 CPU: 2509.36, 0.00317624/step Wall: 2509.36, 0.00317624/step, 3.71003 hours remaining, 236.562500 MB of memory in use. ENERGY: 795000 4052.8056 20514.3502 14473.2094 241.2655 -203279.5151 2454.8369 0.0000 0.0000 52312.2996 -109230.7478 300.6395 -161543.0474 -108869.1440 300.1915 -64.5189 -32.5595 759826.0082 -4.0739 -4.1717 PRESSURE: 795200 -244.722 114.103 127.749 114.103 -349.981 4.99628 127.75 4.99618 -349.572 GPRESSURE: 795200 -241.575 110.883 67.3269 27.1324 -328.138 -50.1272 263.435 -48.4681 -286.955 PRESSAVG: 795200 -8.14783 -25.1531 -9.90112 -25.1531 42.8053 36.4973 -9.9011 36.4972 17.4167 GPRESSAVG: 795200 -7.38582 -23.3446 -11.2328 -25.2695 43.9608 38.4214 -11.3584 34.7173 16.082 TIMING: 795200 CPU: 2510, 0.00318619/step Wall: 2510, 0.00318619/step, 3.72147 hours remaining, 236.562500 MB of memory in use. ENERGY: 795200 4007.1738 20417.2738 14436.4139 257.3740 -203151.1324 2417.0089 0.0000 0.0000 52068.3714 -109547.5165 299.2376 -161615.8879 -109175.0836 299.1665 -314.7583 -285.5557 760766.0511 17.3581 17.5523 PRESSURE: 795400 494.643 20.0086 -37.9377 20.0083 70.2213 123.997 -37.938 123.998 81.7945 GPRESSURE: 795400 404.036 -102.299 -67.9809 4.33632 180.038 108.398 -42.5878 104.432 158.117 PRESSAVG: 795400 -1.77207 -28.0168 -24.808 -28.0168 -2.48866 34.1197 -24.808 34.1198 -19.8635 GPRESSAVG: 795400 -2.65309 -30.1877 -25.8639 -27.4219 -2.51788 31.2307 -24.8944 38.0681 -19.108 TIMING: 795400 CPU: 2510.63, 0.00319213/step Wall: 2510.63, 0.00319213/step, 3.72823 hours remaining, 236.562500 MB of memory in use. ENERGY: 795400 4040.1748 20500.2083 14492.8989 242.6467 -203620.6399 2682.3787 0.0000 0.0000 52351.9297 -109310.4028 300.8673 -161662.3325 -108945.4145 299.6061 215.5530 247.3971 760014.4690 -8.0414 -8.0930 PRESSURE: 795600 134.901 142.42 -40.4264 142.42 -78.9029 -5.68027 -40.4262 -5.67988 -95.4202 GPRESSURE: 795600 160.563 73.3148 20.654 93.189 -64.0193 -4.84501 105.297 71.3135 -52.8381 PRESSAVG: 795600 -7.74592 8.33174 12.9643 8.33176 27.3468 -29.6065 12.9643 -29.6065 -1.85018 GPRESSAVG: 795600 -6.44708 7.44567 14.8524 8.14458 27.1107 -28.2986 12.623 -31.0469 -2.99923 TIMING: 795600 CPU: 2511.27, 0.00317476/step Wall: 2511.27, 0.00317476/step, 3.70777 hours remaining, 236.562500 MB of memory in use. ENERGY: 795600 4012.9144 20359.3233 14461.4557 257.5884 -202812.0669 2295.0421 0.0000 0.0000 51937.6229 -109488.1200 298.4862 -161425.7429 -109128.2552 299.7042 -13.1406 14.5687 760248.7538 5.9169 5.8881 PRESSURE: 795800 159.267 -221.685 -61.6539 -221.686 55.721 -52.2717 -61.6548 -52.2719 83.5503 GPRESSURE: 795800 185.224 -131.047 -60.6805 -93.3856 72.5866 17.9849 -92.6938 -153.822 113.209 PRESSAVG: 795800 -7.16668 -40.1195 -9.4189 -40.1195 -12.0299 43.4374 -9.41893 43.4375 -0.724198 GPRESSAVG: 795800 -7.95025 -38.6541 -9.12006 -41.9274 -10.8022 46.7083 -9.24945 40.8082 -1.2865 TIMING: 795800 CPU: 2511.91, 0.00321546/step Wall: 2511.91, 0.00321546/step, 3.75513 hours remaining, 236.562500 MB of memory in use. ENERGY: 795800 3975.1539 20519.1582 14432.5822 251.1051 -203319.4227 2449.0378 0.0000 0.0000 51970.3338 -109722.0516 298.6742 -161692.3854 -109358.5002 299.0940 99.5127 123.6731 759097.8239 -6.6403 -6.6796 PRESSURE: 796000 204.829 26.0672 101.184 26.0676 163.857 -56.1513 101.184 -56.151 56.9925 GPRESSURE: 796000 188.449 118.053 80.9606 102.27 220.816 -83.3929 74.6065 63.0222 96.9663 PRESSAVG: 796000 5.95002 -11.6652 -3.36681 -11.6652 37.8408 85.6409 -3.36678 85.6409 -1.08121 GPRESSAVG: 796000 7.4843 -11.9407 -3.68983 -9.61781 35.3847 83.6355 -3.24274 85.5078 -0.135952 TIMING: 796000 CPU: 2512.55, 0.00320576/step Wall: 2512.55, 0.00320576/step, 3.74362 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: 796000 4024.7102 20459.2533 14457.4543 256.4236 -203264.9556 2501.7905 0.0000 0.0000 51978.9045 -109586.4192 298.7235 -161565.3236 -109224.5600 299.0246 141.8929 168.7438 760435.6510 14.2365 14.2444 PRESSURE: 796200 -497.178 -205.846 51.3937 -205.846 -110.13 -97.3205 51.3942 -97.32 311.713 GPRESSURE: 796200 -403.123 -150.029 66.0795 -86.9037 -74.7595 -120.292 -70.5728 -57.2016 261.689 PRESSAVG: 796200 35.9062 -11.1163 -41.2897 -11.1163 -22.7788 46.8973 -41.2897 46.8974 -18.9633 GPRESSAVG: 796200 34.8942 -11.1068 -41.4047 -12.9104 -21.5162 47.3807 -41.9006 46.6071 -19.2023 TIMING: 796200 CPU: 2513.19, 0.00318721/step Wall: 2513.19, 0.00318721/step, 3.72177 hours remaining, 236.562500 MB of memory in use. ENERGY: 796200 3979.7437 20418.7075 14381.8979 242.5835 -203046.9870 2112.3722 0.0000 0.0000 52012.1375 -109899.5448 298.9145 -161911.6823 -109539.0218 298.8772 -98.5319 -72.0647 760626.0652 -1.9453 -1.9414 LDB: ============= START OF LOAD BALANCING ============== 2525.65 LDB: ============== END OF LOAD BALANCING =============== 2525.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2525.65 LDB: ============= START OF LOAD BALANCING ============== 2525.97 LDB: Largest compute 7073 load 0.036493 is 18.7% of average load 0.195103 LDB: Average compute 0.004386 is 2.2% of average load 0.195103 LDB: TIME 2525.98 LOAD: AVG 0.195103 MAX 0.211476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.98 MB LDB: TIME 2525.98 LOAD: AVG 0.195103 MAX 0.211476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.004 MB LDB: TIME 2525.98 LOAD: AVG 0.195103 MAX 0.211476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.004 MB LDB: ============== END OF LOAD BALANCING =============== 2525.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2525.98 PRESSURE: 796400 -309.949 -34.1062 -31.0734 -34.1056 -166.188 189.009 -31.0728 189.009 -507.113 GPRESSURE: 796400 -316.384 110.393 -69.5927 3.8335 -98.2239 146.195 -49.5374 277.755 -472.189 PRESSAVG: 796400 33.6899 -9.00074 -22.068 -9.00072 -16.4113 10.6414 -22.068 10.6414 -8.51358 GPRESSAVG: 796400 32.6675 -7.63071 -21.352 -8.07945 -15.817 9.66089 -21.6026 11.795 -8.50516 TIMING: 796400 CPU: 2513.85, 0.00328279/step Wall: 2513.85, 0.00328279/step, 3.8332 hours remaining, 238.003906 MB of memory in use. ENERGY: 796400 3930.6539 20392.7193 14495.6444 248.9272 -202987.3105 2146.0137 0.0000 0.0000 52022.6421 -109750.7098 298.9748 -161773.3519 -109385.3884 298.9012 -327.7499 -295.5990 761826.1770 2.9217 2.7818 PRESSURE: 796600 -430.042 -103.382 13.5584 -103.382 -8.71932 -6.40039 13.5585 -6.40052 -272.852 GPRESSURE: 796600 -358.869 -66.7916 5.05456 -51.1109 25.8938 -71.9075 39.6565 102.031 -287.282 PRESSAVG: 796600 -5.93791 10.5501 -52.0783 10.5501 30.1431 63.1559 -52.0784 63.1559 -5.1405 GPRESSAVG: 796600 -5.68901 12.009 -52.5635 9.90318 29.8384 63.5089 -50.708 63.9114 -5.06931 TIMING: 796600 CPU: 2514.49, 0.00319585/step Wall: 2514.49, 0.00319585/step, 3.73151 hours remaining, 238.070312 MB of memory in use. ENERGY: 796600 3967.9941 20401.4826 14432.6277 260.8153 -202596.7873 1912.7445 0.0000 0.0000 51844.0624 -109777.0606 297.9485 -161621.1230 -109412.5196 298.6332 -237.2043 -206.7525 761729.7136 6.3549 6.3600 PRESSURE: 796800 -141.064 259.466 153.116 259.466 -314.674 -29.0294 153.116 -29.0292 -97.2219 GPRESSURE: 796800 -61.2352 125.161 78.237 194.734 -306.064 2.2302 302.903 -96.4528 -118.581 PRESSAVG: 796800 -24.3515 6.33695 -54.567 6.33697 -16.2668 25.3915 -54.567 25.3915 14.6397 GPRESSAVG: 796800 -24.6308 3.81354 -53.8379 7.50965 -16.9063 25.0435 -55.1795 27.0735 15.1465 TIMING: 796800 CPU: 2515.13, 0.00319835/step Wall: 2515.13, 0.00319836/step, 3.73426 hours remaining, 238.082031 MB of memory in use. ENERGY: 796800 3996.0520 20423.0801 14495.4894 251.3030 -203302.4416 2309.0704 0.0000 0.0000 51841.0549 -109986.3919 297.9313 -161827.4467 -109633.2374 298.2566 -184.3201 -161.9600 760098.6555 -8.6595 -8.7969 PRESSURE: 797000 -228.372 -77.0133 -67.0828 -77.013 -29.6011 -17.8341 -67.0833 -17.8343 179.048 GPRESSURE: 797000 -185.129 12.6902 -63.2185 -152.784 57.4972 35.6747 14.2181 -8.69448 144.877 PRESSAVG: 797000 -25.9886 -12.5851 -40.7559 -12.5851 -12.7546 44.148 -40.7559 44.1481 -16.8575 GPRESSAVG: 797000 -26.048 -10.3913 -42.2301 -14.7479 -12.3463 45.4731 -41.2167 41.4675 -17.2721 TIMING: 797000 CPU: 2515.77, 0.00321244/step Wall: 2515.77, 0.00321244/step, 3.75053 hours remaining, 238.082031 MB of memory in use. ENERGY: 797000 3980.6154 20479.8244 14467.5953 240.3180 -203539.3743 2588.8319 0.0000 0.0000 51670.0419 -110112.1473 296.9484 -161782.1893 -109758.5185 297.8870 -26.3083 5.7484 760569.9235 -18.5336 -18.5555 PRESSURE: 797200 28.532 -20.036 88.755 -20.0364 -251.654 132.973 88.7552 132.974 -329.694 GPRESSURE: 797200 -9.42215 53.5339 118.523 6.41441 -187.901 100.158 13.0186 110.81 -277.1 PRESSAVG: 797200 27.2824 -17.5883 -49.3341 -17.5883 -57.4841 27.5744 -49.3341 27.5744 3.37515 GPRESSAVG: 797200 25.8087 -18.9817 -48.7766 -16.347 -56.1968 26.4861 -49.6519 29.6027 2.92457 TIMING: 797200 CPU: 2516.42, 0.00324332/step Wall: 2516.42, 0.00324332/step, 3.78639 hours remaining, 238.082031 MB of memory in use. ENERGY: 797200 3954.6256 20264.5153 14407.5991 251.7353 -203312.7988 2486.6451 0.0000 0.0000 51890.9807 -110056.6978 298.2182 -161947.6785 -109693.6203 297.7007 -184.2718 -158.1411 759764.2069 -8.9422 -9.1545 PRESSURE: 797400 27.0606 -200.753 -181.595 -200.753 84.4814 -193.321 -181.596 -193.322 -81.5578 GPRESSURE: 797400 225.657 -210.927 -116.835 -84.4747 33.8647 -276.459 -207.657 -160.262 -122.353 PRESSAVG: 797400 -43.258 -66.6278 11.7024 -66.6278 -36.658 -37.5146 11.7024 -37.5146 -25.3482 GPRESSAVG: 797400 -42.4173 -65.7634 13.6853 -68.2764 -37.3558 -37.678 14.3856 -39.091 -25.2938 TIMING: 797400 CPU: 2517.05, 0.00317881/step Wall: 2517.05, 0.00317881/step, 3.7109 hours remaining, 238.082031 MB of memory in use. ENERGY: 797400 3943.7006 20348.6018 14486.5532 232.6513 -203273.5617 2576.6014 0.0000 0.0000 51624.9375 -110060.5158 296.6892 -161685.4532 -109684.8233 297.9007 9.9947 45.7228 761085.3366 -35.0881 -35.0223 PRESSURE: 797600 336.443 -14.6775 0.477093 -14.6776 172.629 -187.465 0.477477 -187.465 272.201 GPRESSURE: 797600 298.758 -46.1871 29.5205 -7.89232 253.492 -126.411 -84.4701 -117.74 317.199 PRESSAVG: 797600 -9.75089 -20.5115 -17.9735 -20.5115 -17.8369 17.5881 -17.9735 17.5881 1.76696 GPRESSAVG: 797600 -8.19647 -22.0535 -21.4418 -18.435 -19.2465 17.8477 -19.1579 18.0466 1.97779 TIMING: 797600 CPU: 2517.69, 0.00317376/step Wall: 2517.69, 0.00317376/step, 3.70483 hours remaining, 238.285156 MB of memory in use. ENERGY: 797600 3938.6299 20277.1284 14423.7594 257.6608 -203547.9149 2860.4736 0.0000 0.0000 51761.8027 -110028.4602 297.4758 -161790.2629 -109668.1315 298.3456 260.4244 289.8164 759810.0989 -8.6069 -8.4884 PRESSURE: 797800 -98.5686 12.2192 23.632 12.2188 -130.33 188.791 23.6324 188.791 29.4624 GPRESSURE: 797800 -127.259 -18.8757 14.3645 14.6119 -21.5715 202.589 -21.7934 200.142 29.4222 PRESSAVG: 797800 -32.4016 -23.3031 3.17568 -23.3031 67.5742 -21.5146 3.17577 -21.5145 -22.1764 GPRESSAVG: 797800 -32.8881 -21.7264 3.68895 -25.5618 69.1649 -21.2447 2.30428 -21.8002 -23.158 TIMING: 797800 CPU: 2518.34, 0.00324807/step Wall: 2518.34, 0.00324807/step, 3.7914 hours remaining, 238.285156 MB of memory in use. ENERGY: 797800 3959.1756 20567.5815 14452.5278 236.8439 -203496.7978 2500.9654 0.0000 0.0000 51990.9825 -109788.7213 298.7929 -161779.7037 -109429.9913 298.3075 -66.4788 -39.8028 760901.4547 4.3320 4.3729 PRESSURE: 798000 147.239 0.173986 -120.972 0.173878 505.892 132.172 -120.972 132.172 170.545 GPRESSURE: 798000 258.911 99.7515 -78.0644 -74.0066 465.791 98.6167 -28.5687 182.499 180.832 PRESSAVG: 798000 -77.3379 -0.0488271 -16.1929 -0.0487933 42.2973 13.7512 -16.1929 13.7512 17.6059 GPRESSAVG: 798000 -76.9826 -2.77331 -14.1344 3.05392 42.1153 13.1366 -16.0373 15.0291 17.0209 TIMING: 798000 CPU: 2518.99, 0.00324562/step Wall: 2518.99, 0.00324562/step, 3.78836 hours remaining, 238.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 798000 3923.1065 20390.4198 14456.0161 256.6105 -203546.3368 2723.4426 0.0000 0.0000 51877.8894 -109918.8519 298.1429 -161796.7413 -109552.7443 298.5862 274.5588 301.8446 760288.3777 -5.8116 -5.9488 PRESSURE: 798200 -294.708 -55.7241 -56.8911 -55.7241 129.21 -197.632 -56.8917 -197.632 128.298 GPRESSURE: 798200 -204.565 57.1274 -69.599 -11.9239 41.89 -194.464 -3.02879 -264.285 215.185 PRESSAVG: 798200 0.629863 0.707136 -35.3273 0.707074 -14.4281 -11.4751 -35.3272 -11.475 -4.6361 GPRESSAVG: 798200 -1.52305 2.41868 -37.3992 0.671403 -14.7574 -11.9498 -34.6546 -12.2818 -2.18391 TIMING: 798200 CPU: 2519.63, 0.00321639/step Wall: 2519.63, 0.00321639/step, 3.75406 hours remaining, 238.285156 MB of memory in use. ENERGY: 798200 3977.6457 20469.8870 14536.3732 254.8305 -203312.8801 2568.8599 0.0000 0.0000 51781.8449 -109723.4388 297.5910 -161505.2838 -109369.5768 298.1439 -12.3999 17.5034 763035.3819 -6.1448 -6.1548 PRESSURE: 798400 -356.153 137.236 -1.26708 137.236 -78.4118 58.1014 -1.26566 58.1019 -641.086 GPRESSURE: 798400 -398.857 92.536 36.6554 273.593 -37.5797 57.0788 -120.157 -33.8032 -544.662 PRESSAVG: 798400 -48.3327 -2.37075 -7.84681 -2.37073 9.87947 -40.6289 -7.84676 -40.629 1.50178 GPRESSAVG: 798400 -46.762 -1.94312 -8.24132 -5.15941 8.60541 -40.3462 -8.67381 -41.3353 0.952145 TIMING: 798400 CPU: 2520.27, 0.0031851/step Wall: 2520.27, 0.0031851/step, 3.71736 hours remaining, 238.285156 MB of memory in use. ENERGY: 798400 4051.9043 20420.2214 14470.5656 246.5343 -203070.7833 2295.9303 0.0000 0.0000 52161.3486 -109424.2788 299.7720 -161585.6274 -109060.6508 298.7481 -358.5503 -327.0331 762448.1933 -12.3172 -12.4015 PRESSURE: 798600 158.361 17.1288 187.627 17.1293 181.94 -57.5391 187.627 -57.538 -35.7282 GPRESSURE: 798600 174.604 91.1619 278.744 -36.5178 215.786 -4.32832 138.342 -16.6955 4.37018 PRESSAVG: 798600 -26.041 -20.0282 -27.4365 -20.0282 40.366 -35.1649 -27.4365 -35.1649 -7.14997 GPRESSAVG: 798600 -26.8687 -20.1591 -26.3035 -19.7756 41.7088 -34.8746 -28.7933 -33.8749 -7.41661 TIMING: 798600 CPU: 2520.91, 0.00320107/step Wall: 2520.91, 0.00320107/step, 3.73583 hours remaining, 238.285156 MB of memory in use. ENERGY: 798600 3958.2631 20406.5159 14413.6849 254.2317 -203108.1260 2514.2919 0.0000 0.0000 52187.0816 -109374.0570 299.9199 -161561.1386 -109004.0080 299.4041 101.5244 131.5866 759628.8955 2.3917 2.4745 PRESSURE: 798800 130.528 -218.938 0.55245 -218.939 -254.976 104.062 0.552073 104.062 -226.219 GPRESSURE: 798800 195.236 -174.87 -82.063 -226.277 -204.817 61.718 126.089 144.662 -259.045 PRESSAVG: 798800 -23.407 3.15639 43.3737 3.15632 14.5376 8.48291 43.3737 8.48281 0.750811 GPRESSAVG: 798800 -21.9611 2.35084 42.3425 3.78177 13.7561 9.31587 46.1599 7.91257 0.589932 TIMING: 798800 CPU: 2521.55, 0.00320924/step Wall: 2521.55, 0.00320924/step, 3.74518 hours remaining, 238.285156 MB of memory in use. ENERGY: 798800 4077.4485 20415.0915 14432.4570 243.5541 -203261.8488 2545.1174 0.0000 0.0000 52132.5362 -109415.6442 299.6064 -161548.1804 -109050.0882 299.0445 -116.8892 -89.5422 760388.9195 -2.7062 -2.5384 PRESSURE: 799000 81.6913 -16.9124 -9.42821 -16.9133 -51.9382 192.113 -9.42783 192.114 115.167 GPRESSURE: 799000 148.426 4.84767 -137.952 89.5997 2.36004 154.877 -78.4396 125.427 87.5816 PRESSAVG: 799000 5.01256 -37.5786 -24.8624 -37.5785 -12.4049 -6.98079 -24.8624 -6.98086 19.6476 GPRESSAVG: 799000 4.40122 -38.3736 -23.193 -36.1529 -11.5412 -7.24329 -25.2692 -7.74545 19.2835 TIMING: 799000 CPU: 2522.19, 0.00322262/step Wall: 2522.19, 0.00322262/step, 3.76062 hours remaining, 238.285156 MB of memory in use. ENERGY: 799000 3931.3298 20534.2807 14508.8032 249.3988 -203147.8579 2501.3632 0.0000 0.0000 52202.0737 -109220.6086 300.0060 -161422.6823 -108857.7074 299.7895 48.3069 79.4560 759123.9987 4.0851 4.0478 PRESSURE: 799200 212.256 -1.94592 71.4816 -1.94625 -61.0911 -44.535 71.4807 -44.5352 199.298 GPRESSURE: 799200 242.026 29.3665 126.108 -103.849 12.164 -27.2102 47.4967 -38.324 171.612 PRESSAVG: 799200 56.9573 -74.8058 67.9324 -74.8058 -57.8512 3.19037 67.9324 3.19034 -7.29917 GPRESSAVG: 799200 57.743 -75.1374 67.0631 -76.1019 -58.0552 3.78539 65.6877 0.888765 -8.14675 TIMING: 799200 CPU: 2522.84, 0.00323133/step Wall: 2522.84, 0.00323133/step, 3.7706 hours remaining, 238.285156 MB of memory in use. ENERGY: 799200 3959.3929 20410.5820 14396.8977 256.8089 -203093.2509 2364.3141 0.0000 0.0000 52150.9806 -109554.2748 299.7124 -161705.2554 -109193.8752 299.2902 116.8211 141.9338 760706.0759 -2.7310 -2.8196 PRESSURE: 799400 248.629 -117.067 -67.331 -117.068 29.6285 -56.6026 -67.3308 -56.6034 136.46 GPRESSURE: 799400 304.203 -147.396 -105.69 -117.715 67.3403 -89.2281 67.4548 102.403 109.592 PRESSAVG: 799400 -9.65952 -6.37203 19.9043 -6.372 14.8613 -31.4473 19.9043 -31.4472 15.2538 GPRESSAVG: 799400 -10.4654 -6.72915 20.5836 -6.4385 14.0014 -33.2378 21.409 -28.444 16.8943 TIMING: 799400 CPU: 2523.48, 0.00318576/step Wall: 2523.48, 0.00318576/step, 3.71725 hours remaining, 238.355469 MB of memory in use. ENERGY: 799400 3943.9193 20557.1663 14425.5175 235.0131 -203146.6455 2478.4161 0.0000 0.0000 51912.5829 -109594.0303 298.3423 -161506.6133 -109239.1774 298.7033 138.2390 160.3783 759913.1551 6.8185 6.8101 PRESSURE: 799600 9.80994 -31.3453 -112.139 -31.3454 169.038 315.51 -112.138 315.509 -42.0534 GPRESSURE: 799600 147.997 -11.6365 -65.7599 150.516 126.939 276.509 -51.5226 286.388 -47.1285 PRESSAVG: 799600 68.7551 9.29303 17.6748 9.293 11.0486 -30.2477 17.6747 -30.2477 12.1957 GPRESSAVG: 799600 69.9842 9.87499 16.8343 9.66714 11.8324 -30.6808 19.3192 -31.2959 10.1745 TIMING: 799600 CPU: 2524.11, 0.00317287/step Wall: 2524.11, 0.00317287/step, 3.70203 hours remaining, 238.355469 MB of memory in use. ENERGY: 799600 3919.3655 20582.6709 14391.3209 245.1912 -203715.9146 2643.8522 0.0000 0.0000 52185.2475 -109748.2664 299.9093 -161933.5139 -109382.0700 299.1574 45.5983 75.9358 760107.7255 30.6665 30.6637 PRESSURE: 799800 -398.492 -255.475 -161.594 -255.475 -30.9162 155.641 -161.595 155.642 -123.352 GPRESSURE: 799800 -402.722 -149.212 -132.639 -161.915 6.98488 135.633 -61.0976 -58.8236 -86.3601 PRESSAVG: 799800 12.5645 -21.0142 -30.7719 -21.0142 28.0426 -40.5995 -30.7718 -40.5994 -20.5257 GPRESSAVG: 799800 10.0615 -20.741 -29.988 -21.4614 29.9897 -39.6277 -31.5516 -41.57 -19.7545 TIMING: 799800 CPU: 2524.75, 0.00320555/step Wall: 2524.75, 0.00320555/step, 3.73999 hours remaining, 238.355469 MB of memory in use. ENERGY: 799800 4003.1928 20535.0064 14406.2019 262.1276 -203521.5514 2622.1931 0.0000 0.0000 51707.0343 -109985.7953 297.1610 -161692.8296 -109634.5989 298.6871 -184.2533 -160.6991 761134.0016 6.6938 6.7656 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.014 seconds, 238.355 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800000 -134.665 -49.092 -178.856 -49.0923 89.0443 -57.5574 -178.856 -57.5582 118.313 GPRESSURE: 800000 -76.9752 -40.3158 -222.176 -24.7378 -6.39045 -96.969 -163.757 -1.95959 244.396 PRESSAVG: 800000 -17.0331 25.5976 -50.8399 25.5976 37.015 -64.4255 -50.8399 -64.4256 20.2462 GPRESSAVG: 800000 -15.8089 26.0406 -50.3029 24.1673 36.2461 -64.989 -51.9548 -60.9679 20.0395 TIMING: 800000 CPU: 2525.42, 0.00333922/step Wall: 2525.42, 0.00333922/step, 3.89576 hours remaining, 238.355469 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: 800000 3976.8184 20326.6737 14446.8562 233.7724 -203834.0542 2708.1918 0.0000 0.0000 52253.2221 -109888.5196 300.3000 -162141.7417 -109525.4694 298.1186 24.2305 53.6767 758853.3336 13.4094 13.4922 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 PRESSURE: 800200 250.969 -41.7871 75.2839 -41.7862 -64.7242 -6.34275 75.2831 -6.34258 375.782 GPRESSURE: 800200 371.061 -25.9342 30.7117 -14.6268 -123.208 -44.2395 -16.4503 -62.173 404.854 PRESSAVG: 800200 1.13841 -10.8678 -23.4177 -10.8678 5.05418 -17.348 -23.4177 -17.3481 -3.67353 GPRESSAVG: 800200 2.10545 -10.8117 -23.9748 -12.2064 3.01257 -16.8422 -24.0931 -18.7963 -3.06685 TIMING: 800200 CPU: 2526.06, 0.00320584/step Wall: 2526.06, 0.00320584/step, 3.73996 hours remaining, 238.355469 MB of memory in use. ENERGY: 800200 4018.4395 20386.6286 14409.6348 236.0945 -203815.4912 2913.7022 0.0000 0.0000 51847.6679 -110003.3238 297.9693 -161850.9917 -109647.1748 298.1680 187.3422 217.5688 761006.7290 0.8397 0.6837 LDB: ============= START OF LOAD BALANCING ============== 2538.51 LDB: ============== END OF LOAD BALANCING =============== 2538.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2538.52 LDB: ============= START OF LOAD BALANCING ============== 2538.83 LDB: Largest compute 7065 load 0.036353 is 18.6% of average load 0.195078 LDB: Average compute 0.004387 is 2.2% of average load 0.195078 LDB: TIME 2538.84 LOAD: AVG 0.195078 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.234 MB LDB: TIME 2538.84 LOAD: AVG 0.195078 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: TIME 2538.84 LOAD: AVG 0.195078 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.238 MB LDB: ============== END OF LOAD BALANCING =============== 2538.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2538.84 PRESSURE: 800400 44.3078 -191.395 138.178 -191.395 -13.7598 -28.0629 138.178 -28.0625 -296.599 GPRESSURE: 800400 78.1199 -120.812 108.37 -142.648 -4.63292 -89.0925 158.134 -90.833 -244.641 PRESSAVG: 800400 67.4767 22.2022 15.6619 22.2022 -45.3135 -15.0339 15.6619 -15.0339 -14.39 GPRESSAVG: 800400 65.7654 21.4908 15.662 24.0447 -44.5223 -14.9656 17.2401 -17.6732 -14.8558 TIMING: 800400 CPU: 2526.71, 0.00323281/step Wall: 2526.71, 0.00323281/step, 3.77125 hours remaining, 237.234375 MB of memory in use. ENERGY: 800400 3977.7798 20495.7500 14437.8136 254.1605 -203623.4216 2646.8705 0.0000 0.0000 51754.6094 -110056.4378 297.4345 -161811.0472 -109699.7913 297.9922 -88.6838 -57.0514 760187.1465 2.5911 2.1291 PRESSURE: 800600 77.9631 -59.4823 36.8877 -59.483 177.88 -7.09718 36.8859 -7.09806 75.6504 GPRESSURE: 800600 93.045 53.0245 -48.2239 -72.523 253.125 18.8033 -18.3004 130.299 60.0059 PRESSAVG: 800600 37.9856 -7.80007 -48.2906 -7.80007 5.46475 -12.6988 -48.2906 -12.6988 -1.14045 GPRESSAVG: 800600 39.2476 -6.35403 -49.4263 -9.04805 4.48696 -12.58 -47.4599 -9.3549 -1.19068 TIMING: 800600 CPU: 2527.34, 0.00315355/step Wall: 2527.34, 0.00315355/step, 3.67862 hours remaining, 237.437500 MB of memory in use. ENERGY: 800600 3985.0362 20509.3371 14374.5918 246.8780 -203825.9687 2811.0620 0.0000 0.0000 51881.4660 -110017.5975 298.1635 -161899.0634 -109661.7197 298.1844 110.4978 135.3919 759633.3713 14.1033 14.1813 PRESSURE: 800800 -17.4387 84.2808 98.9256 84.2805 -451.876 88.0202 98.9263 88.0197 -100.417 GPRESSURE: 800800 -27.5845 119.428 70.0231 21.6266 -317.32 54.3216 129.778 36.385 -139.348 PRESSAVG: 800800 31.1545 -29.4322 6.10183 -29.4322 -68.2374 77.9033 6.10183 77.9033 1.34512 GPRESSAVG: 800800 29.4194 -31.339 8.12887 -27.0309 -66.98 76.7612 3.13086 77.0012 1.63329 TIMING: 800800 CPU: 2527.98, 0.00320052/step Wall: 2527.98, 0.00320052/step, 3.73322 hours remaining, 237.437500 MB of memory in use. ENERGY: 800800 4040.5126 20468.7096 14452.0251 239.6889 -203493.1686 2582.1640 0.0000 0.0000 51757.7201 -109952.3483 297.4523 -161710.0684 -109593.5908 297.7938 -189.9107 -161.4173 762261.8681 -11.9126 -11.9758 PRESSURE: 801000 -440.189 157.534 59.8538 157.533 60.5258 124.184 59.8541 124.185 173.799 GPRESSURE: 801000 -346.364 146.12 74.4057 40.4535 10.5469 201.551 -31.6863 225.882 223.794 PRESSAVG: 801000 0.520325 -33.5406 -4.78906 -33.5406 -40.7479 -11.2086 -4.78904 -11.2087 5.29782 GPRESSAVG: 801000 2.66609 -33.6586 -4.71432 -33.5052 -42.5795 -10.5951 -3.47618 -11.7609 5.10229 TIMING: 801000 CPU: 2528.62, 0.00319266/step Wall: 2528.62, 0.00319266/step, 3.72388 hours remaining, 237.437500 MB of memory in use. ENERGY: 801000 3984.9117 20397.2947 14480.6144 233.3341 -203473.6157 2835.3745 0.0000 0.0000 51769.5543 -109772.5320 297.5203 -161542.0863 -109407.5958 297.9260 -68.6217 -37.3411 761206.8363 -11.6433 -11.6037 PRESSURE: 801200 654.162 -235.568 -34.587 -235.569 354.112 18.2931 -34.5874 18.2931 630.95 GPRESSURE: 801200 752.057 -143.485 -18.089 -343.163 386.743 -20.9939 -197.577 57.9679 593.344 PRESSAVG: 801200 8.0508 -54.4649 26.9444 -54.4648 49.9291 16.3405 26.9444 16.3406 8.8653 GPRESSAVG: 801200 6.69359 -54.8507 27.1507 -54.5192 51.8286 16.9625 24.5206 15.6696 8.11077 TIMING: 801200 CPU: 2529.26, 0.00318915/step Wall: 2529.26, 0.00318915/step, 3.71961 hours remaining, 237.437500 MB of memory in use. ENERGY: 801200 3901.0446 20336.3658 14437.9482 254.6427 -203583.7790 2843.3183 0.0000 0.0000 52071.0673 -109739.3920 299.2531 -161810.4593 -109391.4334 298.2317 546.4077 577.3811 760948.7680 22.2817 22.2110 PRESSURE: 801400 183.588 96.9963 13.5272 96.9961 -375.528 -216.408 13.5273 -216.408 -208.407 GPRESSURE: 801400 143.303 40.4173 -3.74895 59.5858 -249.027 -184.873 35.8483 -155.24 -202.817 PRESSAVG: 801400 -29.764 10.6607 44.08 10.6607 -20.4638 62.2399 44.08 62.2398 6.74862 GPRESSAVG: 801400 -29.3 13.1514 44.2799 7.94572 -21.2804 61.3855 46.6691 62.1274 7.4759 TIMING: 801400 CPU: 2529.89, 0.00318156/step Wall: 2529.89, 0.00318156/step, 3.71058 hours remaining, 237.437500 MB of memory in use. ENERGY: 801400 3971.3064 20377.4770 14486.6774 255.1274 -203142.1393 2468.0825 0.0000 0.0000 51930.6215 -109652.8472 298.4460 -161583.4687 -109294.4193 298.3061 -133.4490 -102.8470 762385.6253 -14.4931 -14.3681 PRESSURE: 801600 -173.117 -15.5648 -72.679 -15.564 -315.413 209.498 -72.6796 209.499 -21.9822 GPRESSURE: 801600 -293.162 -4.52958 -70.3375 -93.6684 -165.092 226.947 4.39094 92.1458 50.9454 PRESSAVG: 801600 48.9038 21.7413 47.3509 21.7413 -0.943497 25.504 47.3509 25.504 0.209211 GPRESSAVG: 801600 48.5517 19.1196 46.2858 23.3483 -0.326942 26.3639 46.4232 26.7382 0.40793 TIMING: 801600 CPU: 2530.53, 0.00318475/step Wall: 2530.53, 0.00318476/step, 3.71413 hours remaining, 237.437500 MB of memory in use. ENERGY: 801600 3957.9031 20495.5087 14439.1330 244.1009 -203627.5984 2933.8647 0.0000 0.0000 51914.4778 -109642.6102 298.3532 -161557.0880 -109289.9904 298.7515 -170.1708 -135.7696 762154.5576 16.0565 16.2109 PRESSURE: 801800 207.976 14.4637 86.2095 14.4627 -250.032 83.743 86.2099 83.7436 -123.837 GPRESSURE: 801800 197.022 71.3593 111.681 46.7703 -201.176 53.7355 124.618 -3.34569 -85.0976 PRESSAVG: 801800 -12.3433 18.6956 7.39529 18.6956 -1.43813 -14.8253 7.39528 -14.8253 2.80699 GPRESSAVG: 801800 -11.7406 19.4829 6.07398 17.98 -1.77573 -14.7068 10.2121 -15.628 2.67844 TIMING: 801800 CPU: 2531.17, 0.00321281/step Wall: 2531.17, 0.00321281/step, 3.74667 hours remaining, 237.437500 MB of memory in use. ENERGY: 801800 3953.7287 20474.0117 14497.4762 244.2907 -203532.3801 2662.6675 0.0000 0.0000 51811.3560 -109888.8493 297.7606 -161700.2054 -109532.7351 298.8347 -55.2973 -29.7508 761539.1050 -3.6582 -3.6126 PRESSURE: 802000 28.0447 -9.83904 177.639 -9.83988 140.939 -164.193 177.639 -164.193 -119.436 GPRESSURE: 802000 99.6252 -56.4392 136.255 -57.0492 114.409 -92.3445 72.2806 -219.549 -74.373 PRESSAVG: 802000 35.4524 2.57938 -5.91686 2.57928 -30.9998 2.33885 -5.91683 2.33886 -4.60051 GPRESSAVG: 802000 36.3951 2.24069 -6.33992 4.00271 -31.4617 1.09171 -5.11108 4.13375 -4.3252 TIMING: 802000 CPU: 2531.81, 0.00320211/step Wall: 2531.81, 0.00320211/step, 3.73402 hours remaining, 237.437500 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: 802000 3963.9878 20491.7592 14420.1523 265.5567 -203730.1882 2889.1138 0.0000 0.0000 51970.4626 -109729.1557 298.6750 -161699.6184 -109366.7446 298.3036 16.5160 46.5538 762274.3261 -0.0493 0.2027 PRESSURE: 802200 174.04 -133.553 -70.3227 -133.553 88.1834 -122.054 -70.3223 -122.054 242.556 GPRESSURE: 802200 133.176 -77.8505 -3.38833 -48.8277 203.955 -134.087 -129.628 -66.4741 241.592 PRESSAVG: 802200 -12.6855 6.61824 31.891 6.61827 0.430409 44.7235 31.891 44.7234 5.28903 GPRESSAVG: 802200 -12.9112 7.06534 33.9156 6.3092 1.16159 45.5118 28.8651 43.1103 5.1639 TIMING: 802200 CPU: 2532.45, 0.00321109/step Wall: 2532.45, 0.00321109/step, 3.74431 hours remaining, 237.437500 MB of memory in use. ENERGY: 802200 4032.3925 20512.4823 14457.8126 247.4273 -203833.5547 2881.4216 0.0000 0.0000 51948.8180 -109753.2003 298.5506 -161702.0184 -109404.3662 298.2485 168.2601 192.9076 761471.1543 -2.3220 -2.1952 PRESSURE: 802400 23.2877 0.988147 -71.2932 0.988204 159.955 8.48144 -71.2936 8.48171 -217.668 GPRESSURE: 802400 -34.1903 30.3906 -95.7868 -43.5601 252.46 -19.7608 -59.4311 -65.2899 -188.006 PRESSAVG: 802400 22.6833 -47.343 9.88277 -47.3431 10.1827 24.4946 9.8827 24.4945 5.57877 GPRESSAVG: 802400 21.8145 -47.4635 10.3328 -47.7023 10.5262 24.2007 10.7901 23.3384 6.14359 TIMING: 802400 CPU: 2533.09, 0.00320493/step Wall: 2533.09, 0.00320493/step, 3.73695 hours remaining, 237.437500 MB of memory in use. ENERGY: 802400 4013.1816 20481.5538 14439.5607 243.2523 -203856.8287 2883.0733 0.0000 0.0000 51982.5602 -109813.6467 298.7445 -161796.2069 -109448.6903 298.1948 -11.4749 10.0881 763171.1763 12.8149 12.8281 PRESSURE: 802600 -175.622 -185.35 134.065 -185.349 -212.695 -209.977 134.065 -209.978 -55.6289 GPRESSURE: 802600 -174.682 -142.015 176.799 -167.242 -99.5168 -207.054 97.1073 -111.013 -76.3738 PRESSAVG: 802600 30.1365 -6.89445 -8.03203 -6.89445 -18.6736 4.80667 -8.03205 4.80674 -10.9027 GPRESSAVG: 802600 31.6023 -6.07214 -8.98069 -7.50793 -19.9227 3.96829 -7.57107 5.24093 -10.96 TIMING: 802600 CPU: 2533.73, 0.00318311/step Wall: 2533.73, 0.00318311/step, 3.71133 hours remaining, 237.437500 MB of memory in use. ENERGY: 802600 3913.8712 20566.9904 14445.5982 240.0706 -203460.1384 2651.7636 0.0000 0.0000 51817.8124 -109824.0322 297.7977 -161641.8446 -109472.5910 298.4948 -147.9818 -116.8574 762736.5791 0.1867 0.2399 PRESSURE: 802800 209.891 233.833 267.695 233.833 -230.03 137.278 267.695 137.278 -543.282 GPRESSURE: 802800 189.25 237.272 211.575 185.038 -136.818 149.318 233.412 368.397 -526.572 PRESSAVG: 802800 16.2892 26.6085 27.2773 26.6085 24.7915 -11.5248 27.2773 -11.5248 -3.48532 GPRESSAVG: 802800 15.6085 26.4689 28.808 24.8106 25.8927 -11.5372 25.7207 -8.30584 -3.32457 TIMING: 802800 CPU: 2534.37, 0.00317433/step Wall: 2534.37, 0.00317433/step, 3.70091 hours remaining, 237.437500 MB of memory in use. ENERGY: 802800 4014.9740 20404.2342 14398.8358 243.3498 -203359.6289 2371.6620 0.0000 0.0000 52031.9853 -109894.5878 299.0285 -161926.5732 -109532.4913 298.2828 -187.8071 -158.0468 763908.5250 12.5318 12.7256 PRESSURE: 803000 -234.041 -98.613 227.314 -98.6133 -269.005 -134.653 227.315 -134.652 -29.2583 GPRESSURE: 803000 -189.769 -49.5051 206.46 -102.726 -274.563 -253.339 312.789 -132.527 25.3353 PRESSAVG: 803000 12.7176 -18.528 30.1488 -18.528 -28.0612 29.3731 30.1489 29.3731 -13.5698 GPRESSAVG: 803000 12.8574 -18.6811 31.7808 -17.0427 -28.469 29.9196 28.7411 27.0365 -13.8177 TIMING: 803000 CPU: 2535, 0.00315937/step Wall: 2535, 0.00315937/step, 3.6833 hours remaining, 237.437500 MB of memory in use. ENERGY: 803000 4062.3083 20342.3726 14394.3414 262.4758 -203562.5565 2602.4484 0.0000 0.0000 52072.1336 -109826.4763 299.2593 -161898.6099 -109463.7333 298.8863 -177.4348 -146.3322 761619.1935 -9.6378 -9.8098 PRESSURE: 803200 -125.239 -14.4041 275.414 -14.4031 -30.698 -44.7209 275.414 -44.7209 131.078 GPRESSURE: 803200 -108.541 69.9757 249.321 87.7469 73.6363 -75.5013 300.068 -108.941 101.566 PRESSAVG: 803200 40.3402 -41.1819 44.9994 -41.182 -49.189 -44.6807 44.9994 -44.6806 -0.0207618 GPRESSAVG: 803200 39.5313 -42.0995 41.477 -39.3037 -49.3765 -43.8037 48.3081 -44.8643 0.80433 TIMING: 803200 CPU: 2535.63, 0.00317162/step Wall: 2535.63, 0.00317162/step, 3.6974 hours remaining, 237.437500 MB of memory in use. ENERGY: 803200 3988.1458 20335.4870 14430.3141 254.6729 -203197.8033 2246.0528 0.0000 0.0000 52104.4452 -109838.6855 299.4450 -161943.1307 -109471.9072 298.7257 -8.2862 22.2204 761474.7729 -2.9565 -3.0136 PRESSURE: 803400 312.664 -84.8482 1.50912 -84.8484 99.6217 116.944 1.5085 116.945 -156.953 GPRESSURE: 803400 321.097 -72.5186 -55.3189 -63.4479 202.363 86.4749 47.2516 180.759 -176.948 PRESSAVG: 803400 3.75014 16.6432 19.9923 16.6431 -4.98606 29.058 19.9922 29.0579 -10.5263 GPRESSAVG: 803400 3.91425 17.4943 21.0626 15.5711 -5.09714 29.0484 17.6833 32.4506 -10.5914 TIMING: 803400 CPU: 2536.27, 0.00316257/step Wall: 2536.27, 0.00316257/step, 3.68668 hours remaining, 237.437500 MB of memory in use. ENERGY: 803400 4012.7854 20397.8322 14457.9425 233.7177 -203611.2219 2554.2822 0.0000 0.0000 51962.0365 -109992.6255 298.6265 -161954.6619 -109631.6193 298.7802 85.1109 115.5039 759790.0564 -3.9207 -3.9247 PRESSURE: 803600 -28.3883 63.4818 28.6674 63.4804 -24.3306 43.8961 28.6667 43.8959 -485.851 GPRESSURE: 803600 -18.6928 88.4163 47.106 96.9121 -20.431 49.6606 -63.9831 62.6305 -424.373 PRESSAVG: 803600 -10.2221 19.0169 -5.10214 19.0169 45.7201 19.8334 -5.10214 19.8335 19.0935 GPRESSAVG: 803600 -10.1302 19.0207 -4.14343 19.2558 45.6574 20.1134 -4.03955 16.5685 19.1908 TIMING: 803600 CPU: 2536.9, 0.00318639/step Wall: 2536.9, 0.00318639/step, 3.71427 hours remaining, 237.437500 MB of memory in use. ENERGY: 803600 4035.1073 20653.7872 14444.8007 264.4992 -203609.2103 2509.3376 0.0000 0.0000 51951.7826 -109749.8957 298.5676 -161701.6784 -109393.8512 299.0754 -179.5233 -154.4991 759712.3782 18.1971 18.2393 PRESSURE: 803800 -124.128 -152.891 -112.166 -152.892 -217.682 122.708 -112.166 122.709 43.2456 GPRESSURE: 803800 -34.9299 -190.261 -140.809 -2.01137 -172.714 119.663 -76.9266 227.189 -12.6257 PRESSAVG: 803800 -13.7304 -1.90543 -23.4615 -1.90542 13.722 40.3426 -23.4614 40.3427 8.66799 GPRESSAVG: 803800 -12.2075 -1.16144 -24.7771 -2.92393 12.9811 39.2423 -23.3887 41.0037 8.37739 TIMING: 803800 CPU: 2537.54, 0.00317719/step Wall: 2537.54, 0.00317719/step, 3.70337 hours remaining, 237.437500 MB of memory in use. ENERGY: 803800 3934.8458 20620.6077 14431.7017 241.8629 -203418.6970 2390.1348 0.0000 0.0000 52190.8167 -109608.7274 299.9413 -161799.5441 -109244.9348 298.8964 -99.5216 -73.4233 759758.4511 2.8865 3.0503 PRESSURE: 804000 -218.21 17.6608 86.8671 17.6616 -240.122 54.3398 86.8669 54.3403 -341.278 GPRESSURE: 804000 -192.798 123.857 -24.2711 26.878 -162.84 31.0994 111.136 98.7635 -353.271 PRESSAVG: 804000 5.6915 -39.9856 -16.6416 -39.9856 -27.9393 -12.956 -16.6417 -12.956 14.684 GPRESSAVG: 804000 4.44877 -41.9354 -16.3085 -37.1666 -26.0379 -13.2905 -18.2935 -12.7045 13.5256 TIMING: 804000 CPU: 2538.18, 0.00320105/step Wall: 2538.18, 0.00320105/step, 3.731 hours remaining, 237.437500 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: 804000 4033.4120 20372.5021 14539.8831 261.2680 -203241.2181 2109.0569 0.0000 0.0000 52318.3539 -109606.7421 300.6743 -161925.0960 -109229.7316 299.6546 -266.5365 -236.3030 761645.3220 -2.5213 -2.6879 PRESSURE: 804200 -182.324 112.378 -162.031 112.377 -37.6131 -102.589 -162.03 -102.588 31.3598 GPRESSURE: 804200 -44.174 218.664 -139.706 109.694 -144.311 -147.204 -192.935 -68.6435 70.7102 PRESSAVG: 804200 -18.6185 -2.07077 -4.92117 -2.07077 5.07001 -17.336 -4.9212 -17.336 -7.55083 GPRESSAVG: 804200 -19.0847 -2.21071 -4.21924 -4.97037 4.88809 -15.2992 -3.80413 -17.5108 -7.01796 TIMING: 804200 CPU: 2538.82, 0.00318833/step Wall: 2538.82, 0.00318833/step, 3.716 hours remaining, 237.437500 MB of memory in use. ENERGY: 804200 4016.2503 20486.1138 14491.6117 227.6406 -203768.2301 2788.8838 0.0000 0.0000 52170.4699 -109587.2601 299.8244 -161757.7300 -109237.1609 299.6661 -62.8590 -39.2582 760142.5480 -7.0331 -7.0715 LDB: ============= START OF LOAD BALANCING ============== 2551.27 LDB: ============== END OF LOAD BALANCING =============== 2551.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2551.27 LDB: ============= START OF LOAD BALANCING ============== 2551.59 LDB: Largest compute 7073 load 0.037780 is 19.4% of average load 0.195057 LDB: Average compute 0.004407 is 2.3% of average load 0.195057 LDB: TIME 2551.59 LOAD: AVG 0.195057 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.527 MB LDB: TIME 2551.6 LOAD: AVG 0.195057 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.73 MB LDB: TIME 2551.6 LOAD: AVG 0.195057 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.73 MB LDB: ============== END OF LOAD BALANCING =============== 2551.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2551.6 PRESSURE: 804400 -490.715 25.5578 -15.8667 25.5576 99.1309 -28.164 -15.8663 -28.164 15.4331 GPRESSURE: 804400 -387.831 52.8361 -58.4104 46.9516 134.497 -40.3748 67.9817 -23.1153 -48.5052 PRESSAVG: 804400 3.50492 3.13114 28.5052 3.13112 30.1751 -8.98085 28.5053 -8.98088 7.42416 GPRESSAVG: 804400 3.95915 3.28442 27.8702 4.85474 29.7976 -10.2999 29.4263 -10.6995 7.29908 TIMING: 804400 CPU: 2539.47, 0.00325422/step Wall: 2539.47, 0.00325422/step, 3.79261 hours remaining, 236.781250 MB of memory in use. ENERGY: 804400 4006.7717 20591.8813 14433.1138 253.2120 -203223.9811 2351.0491 0.0000 0.0000 52000.6584 -109587.2947 298.8485 -161587.9531 -109222.3396 299.5751 -125.3836 -100.6129 761986.1329 13.7014 13.6853 PRESSURE: 804600 119.808 -142.713 17.3849 -142.713 -205.197 -160.032 17.3842 -160.031 62.815 GPRESSURE: 804600 89.6356 -109.735 78.9998 -146.338 -87.4059 -239.389 -23.23 -149.607 69.4004 PRESSAVG: 804600 5.78964 -27.0235 -2.68798 -27.0235 17.0155 -30.8285 -2.68794 -30.8284 19.1207 GPRESSAVG: 804600 5.47298 -24.1352 -1.23782 -28.5598 18.0526 -29.3733 -3.67781 -30.4947 18.4748 TIMING: 804600 CPU: 2540.1, 0.00316512/step Wall: 2540.1, 0.00316512/step, 3.68859 hours remaining, 236.781250 MB of memory in use. ENERGY: 804600 4026.1581 20448.4230 14429.6338 245.1041 -203554.0394 2603.9274 0.0000 0.0000 52194.9828 -109605.8102 299.9653 -161800.7930 -109234.9951 299.4137 -7.5248 23.8767 759778.3685 13.9753 14.0001 PRESSURE: 804800 -470.505 50.6158 -103.975 50.6155 215.66 -131.284 -103.976 -131.286 -230.377 GPRESSURE: 804800 -429.488 91.2489 -77.1985 -29.8202 246.928 -71.9949 -45.6341 -210.893 -219.402 PRESSAVG: 804800 8.98117 14.2824 -6.84024 14.2824 -15.1666 -8.21109 -6.84021 -8.21114 -12.8525 GPRESSAVG: 804800 8.35575 11.158 -7.85871 14.2198 -16.3046 -9.86825 -5.60089 -6.03912 -11.5075 TIMING: 804800 CPU: 2540.74, 0.00318411/step Wall: 2540.74, 0.00318411/step, 3.71055 hours remaining, 236.781250 MB of memory in use. ENERGY: 804800 4083.5662 20458.5170 14526.7517 251.8177 -203364.2297 2367.0927 0.0000 0.0000 51998.8575 -109677.6269 298.8381 -161676.4844 -109310.6953 298.9200 -161.7406 -133.9874 761263.4937 -6.3460 -6.4855 PRESSURE: 805000 -82.2356 -18.0583 -98.447 -18.0584 -61.6759 56.7849 -98.4469 56.7831 -277.857 GPRESSURE: 805000 10.3752 -1.10354 -25.4013 102.209 -61.3501 59.589 -68.4285 92.1352 -288.848 PRESSAVG: 805000 -54.2321 1.18979 23.3036 1.1897 46.7027 -65.8497 23.3036 -65.8497 7.24889 GPRESSAVG: 805000 -52.7604 1.42675 22.87 2.73282 45.9786 -65.9398 22.2511 -65.8844 6.42659 TIMING: 805000 CPU: 2541.37, 0.00318765/step Wall: 2541.37, 0.00318765/step, 3.7145 hours remaining, 236.781250 MB of memory in use. ENERGY: 805000 4062.8643 20621.0267 14470.7831 248.8793 -203565.1713 2629.0070 0.0000 0.0000 51983.8122 -109548.7986 298.7517 -161532.6108 -109195.7568 299.1637 -140.5896 -113.2745 760508.0293 -0.0935 -0.1184 PRESSURE: 805200 45.1864 89.994 145.12 89.9946 -489.72 129.034 145.12 129.035 -30.9094 GPRESSURE: 805200 90.05 57.5771 227.116 23.486 -462.485 150.952 169.096 135.443 -6.66924 PRESSAVG: 805200 9.62071 -66.1344 -2.09789 -66.1345 1.10093 -29.6767 -2.09789 -29.6767 -3.27935 GPRESSAVG: 805200 10.5471 -66.7445 -0.927606 -67.8169 0.595883 -29.3098 -0.761955 -30.5478 -2.62657 TIMING: 805200 CPU: 2542.01, 0.00316878/step Wall: 2542.01, 0.00316878/step, 3.69233 hours remaining, 236.781250 MB of memory in use. ENERGY: 805200 3990.9540 20504.9835 14451.6264 221.3430 -203161.3218 2277.6279 0.0000 0.0000 51948.9850 -109765.8019 298.5515 -161714.7869 -109402.7009 298.9264 -158.4809 -126.3680 760751.0895 2.4808 2.8388 PRESSURE: 805400 245.303 -16.2815 -127.07 -16.2815 19.6465 64.5043 -127.069 64.505 -10.4345 GPRESSURE: 805400 287.629 -73.5627 -145.132 -31.0057 13.0886 -39.7572 -20.76 142.138 24.5836 PRESSAVG: 805400 -60.3834 29.7439 -36.6555 29.7439 35.3194 -9.02609 -36.6555 -9.02606 8.63339 GPRESSAVG: 805400 -60.6733 30.7528 -37.3775 29.4939 36.7244 -9.6991 -37.1074 -7.65226 7.44399 TIMING: 805400 CPU: 2542.64, 0.00318612/step Wall: 2542.64, 0.00318612/step, 3.71236 hours remaining, 236.781250 MB of memory in use. ENERGY: 805400 4025.3413 20715.9313 14399.7973 252.0495 -204017.2957 2786.4422 0.0000 0.0000 52137.1357 -109700.5984 299.6328 -161837.7341 -109342.1627 299.1851 84.8384 108.4338 760599.5727 -5.4769 -5.5016 PRESSURE: 805600 145.103 81.3386 -74.0287 81.3379 -212.07 -8.4599 -74.0291 -8.46091 118.484 GPRESSURE: 805600 119.717 73.4031 -29.5482 44.3719 -144.586 66.7514 105.636 -29.0606 162.959 PRESSAVG: 805600 -64.1952 -56.1493 -44.5399 -56.1493 67.9829 -34.75 -44.5399 -34.75 20.4323 GPRESSAVG: 805600 -65.68 -56.0538 -42.7372 -55.5284 68.5694 -34.3214 -45.6368 -34.9421 20.6211 TIMING: 805600 CPU: 2543.28, 0.00315112/step Wall: 2543.28, 0.00315112/step, 3.67141 hours remaining, 236.781250 MB of memory in use. ENERGY: 805600 3956.1465 20568.4251 14444.9419 240.5982 -203431.5480 2473.5708 0.0000 0.0000 52216.3222 -109531.5432 300.0879 -161747.8654 -109161.5220 299.5163 17.1723 46.0298 761120.9937 8.0733 7.8368 PRESSURE: 805800 -227.573 -118.041 -112.326 -118.042 300.277 -53.5029 -112.325 -53.504 38.7731 GPRESSURE: 805800 -162.637 -99.287 -107.515 -112.353 309.576 -68.6867 -73.8651 10.4551 54.499 PRESSAVG: 805800 -90.1342 -11.7158 -13.0303 -11.7157 93.9653 -74.3439 -13.0303 -74.3438 1.07685 GPRESSAVG: 805800 -88.7722 -10.5058 -15.0545 -11.3109 93.3574 -74.6327 -10.6119 -73.2111 0.170282 TIMING: 805800 CPU: 2543.91, 0.00315513/step Wall: 2543.91, 0.00315513/step, 3.6759 hours remaining, 236.781250 MB of memory in use. ENERGY: 805800 3968.2473 20460.3385 14446.2675 253.1703 -203467.6993 2533.9886 0.0000 0.0000 52217.2007 -109588.4865 300.0930 -161805.6872 -109214.8198 299.3269 37.1591 67.1458 759923.6335 1.6360 1.5851 PRESSURE: 806000 -332.356 -127.627 103.333 -127.627 -20.6589 4.65306 103.333 4.65343 -151.32 GPRESSURE: 806000 -319.386 -70.6718 138.183 -172.695 -19.4321 -60.7359 184.932 37.3933 -80.2989 PRESSAVG: 806000 -33.0331 -23.0217 -21.6967 -23.0216 26.8812 -42.4887 -21.6966 -42.4887 13.7255 GPRESSAVG: 806000 -33.2195 -24.2259 -21.2141 -23.8395 25.9033 -40.8411 -22.2206 -45.1387 14.9601 TIMING: 806000 CPU: 2544.54, 0.00318513/step Wall: 2544.54, 0.00318513/step, 3.71067 hours remaining, 236.781250 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: 806000 3994.8015 20759.7387 14470.9064 242.6306 -203617.7133 2479.6159 0.0000 0.0000 52137.1707 -109532.8495 299.6330 -161670.0203 -109168.6276 299.5934 -168.1117 -139.7056 761025.6967 2.5245 2.5480 PRESSURE: 806200 -63.5027 -139.963 37.0167 -139.963 -390.718 -20.8602 37.0155 -20.8597 -2.34047 GPRESSURE: 806200 -58.801 -104.708 -15.8855 -68.8769 -323.031 -79.7955 97.2236 98.3428 3.55064 PRESSAVG: 806200 -6.23013 -38.0869 -2.82361 -38.0869 8.14905 -17.6192 -2.82354 -17.6193 13.1602 GPRESSAVG: 806200 -6.39534 -37.7732 -2.91526 -36.9602 8.48733 -18.2659 -3.26943 -14.6869 13.2304 TIMING: 806200 CPU: 2545.19, 0.00321282/step Wall: 2545.19, 0.00321282/step, 3.74276 hours remaining, 236.781250 MB of memory in use. ENERGY: 806200 4002.7226 20565.9973 14388.7395 248.2522 -203272.5244 2412.1285 0.0000 0.0000 52133.8990 -109520.7854 299.6142 -161654.6843 -109149.7647 299.0131 -152.1871 -126.0938 760258.4982 5.0264 5.1074 PRESSURE: 806400 213.627 -84.0771 -11.5517 -84.078 243.011 156.854 -11.5514 156.854 -228.385 GPRESSURE: 806400 195.098 -118.503 152.339 -62.6758 241.524 148.443 -1.73073 183.501 -124.382 PRESSAVG: 806400 -21.5498 -68.2149 39.0896 -68.2149 8.35888 4.93233 39.0896 4.93236 -25.5686 GPRESSAVG: 806400 -22.6827 -69.1976 38.4265 -68.9613 8.37433 4.444 40.2907 3.57058 -24.941 TIMING: 806400 CPU: 2545.82, 0.0031939/step Wall: 2545.82, 0.0031939/step, 3.72054 hours remaining, 236.781250 MB of memory in use. ENERGY: 806400 4006.8087 20651.9612 14477.0957 248.8927 -203668.8120 2689.2197 0.0000 0.0000 52103.2392 -109491.5949 299.4380 -161594.8341 -109127.4416 299.5271 76.0846 104.0799 760063.4556 -12.9198 -13.0831 PRESSURE: 806600 89.7547 -156.562 52.6159 -156.562 -337.585 -86.7908 52.6155 -86.7914 84.0891 GPRESSURE: 806600 78.7798 -223.471 -7.02076 -265.584 -229.087 -50.6167 -59.8175 -138.878 69.9294 PRESSAVG: 806600 -26.9232 -31.2446 61.7346 -31.2447 30.6472 -2.11126 61.7345 -2.11119 0.0753234 GPRESSAVG: 806600 -27.1698 -30.9101 61.4792 -32.0373 31.5369 -2.35365 60.9711 -1.65019 -0.448047 TIMING: 806600 CPU: 2546.47, 0.00320636/step Wall: 2546.47, 0.00320636/step, 3.73487 hours remaining, 236.781250 MB of memory in use. ENERGY: 806600 3998.8556 20561.4924 14413.7210 246.9200 -203358.1938 2511.8685 0.0000 0.0000 51886.1350 -109739.2013 298.1903 -161625.3363 -109380.9396 299.2391 -54.5804 -26.7926 760038.2171 1.2665 1.3064 PRESSURE: 806800 450.165 -58.6268 -126.015 -58.6258 343.455 -208.087 -126.014 -208.086 199.033 GPRESSURE: 806800 414.507 -43.8607 -193.994 -152.226 441.356 -328.874 6.3316 -185.719 231.706 PRESSAVG: 806800 -25.4104 -20.2523 -53.8341 -20.2524 8.04514 12.0409 -53.8341 12.0409 14.0044 GPRESSAVG: 806800 -24.7145 -17.1077 -54.1083 -21.4523 6.13324 11.3018 -54.6366 12.451 15.0714 TIMING: 806800 CPU: 2547.1, 0.00318348/step Wall: 2547.1, 0.00318348/step, 3.70805 hours remaining, 236.781250 MB of memory in use. ENERGY: 806800 3916.5690 20800.2943 14491.6839 249.6605 -203328.0724 2735.7133 0.0000 0.0000 51565.0624 -109569.0889 296.3451 -161134.1513 -109216.3398 299.0602 330.8845 362.5232 762087.5571 -1.1203 -1.1699 PRESSURE: 807000 -57.285 37.3493 25.0703 37.3496 -232.213 -55.7369 25.0697 -55.7368 66.1214 GPRESSURE: 807000 -43.819 -38.7035 18.7363 112.761 -296.226 -34.7508 -81.3154 -149.257 199.864 PRESSAVG: 807000 -42.921 -30.9225 -3.23924 -30.9224 23.9405 18.1609 -3.23917 18.1609 6.43169 GPRESSAVG: 807000 -42.8026 -34.519 -2.2987 -29.7874 24.8546 19.9255 -1.46659 16.4722 5.18047 TIMING: 807000 CPU: 2547.74, 0.00318105/step Wall: 2547.74, 0.00318105/step, 3.70504 hours remaining, 236.781250 MB of memory in use. ENERGY: 807000 3963.9105 20625.1787 14510.3824 256.0883 -203606.2349 2705.5853 0.0000 0.0000 52094.0916 -109450.9980 299.3855 -161545.0897 -109096.5586 298.7299 -74.4590 -46.7270 761448.2831 -4.1829 -4.2558 PRESSURE: 807200 -110.57 -156.925 57.4925 -156.925 73.5084 170.589 57.4933 170.588 -504.543 GPRESSURE: 807200 -99.1208 -96.433 49.0997 -262.526 111.925 176.536 -23.9645 -28.4981 -453.031 PRESSAVG: 807200 12.8481 -25.9388 7.10884 -25.9388 24.6359 -2.72775 7.10883 -2.72772 -1.07387 GPRESSAVG: 807200 11.6797 -24.459 5.66023 -25.44 25.0924 -3.73089 6.49257 -2.71464 -0.306785 TIMING: 807200 CPU: 2548.38, 0.00321591/step Wall: 2548.38, 0.00321591/step, 3.74547 hours remaining, 236.781250 MB of memory in use. ENERGY: 807200 4045.6065 20534.7134 14498.9692 261.9918 -203395.3008 2552.0193 0.0000 0.0000 52104.1433 -109397.8575 299.4432 -161502.0007 -109033.4458 299.2778 -180.5349 -146.7424 762035.8524 12.1367 12.1551 PRESSURE: 807400 -24.0585 183.966 -150.052 183.967 370.637 40.6231 -150.051 40.6232 298.835 GPRESSURE: 807400 147.141 45.0394 -204.789 207.177 395.677 4.51793 -14.4499 140.888 172.922 PRESSAVG: 807400 -54.2409 -14.2468 -2.6435 -14.2468 100.12 -56.1678 -2.64346 -56.1678 9.96141 GPRESSAVG: 807400 -52.6824 -16.1724 -1.18609 -13.7157 100.029 -53.9523 -1.98653 -57.815 8.42965 TIMING: 807400 CPU: 2549.02, 0.00316702/step Wall: 2549.02, 0.00316702/step, 3.68834 hours remaining, 236.781250 MB of memory in use. ENERGY: 807400 3997.1125 20405.5986 14468.7681 239.5072 -204003.7279 3046.8023 0.0000 0.0000 52425.2441 -109420.6951 301.2886 -161845.9392 -109052.8166 299.5815 215.1379 238.5803 760639.6730 18.6134 18.5921 PRESSURE: 807600 75.858 -78.4173 -8.30181 -78.4178 27.9806 -116.036 -8.30224 -116.036 -263.793 GPRESSURE: 807600 40.2108 -46.3291 -14.9968 -60.6735 65.3546 -125.725 -91.8876 -82.3923 -183.952 PRESSAVG: 807600 -15.6303 -18.5147 4.77205 -18.5147 -3.03514 7.29776 4.7721 7.2977 -10.2048 GPRESSAVG: 807600 -16.2989 -18.3103 4.38463 -17.615 -4.32751 4.67283 2.407 10.8375 -8.21248 TIMING: 807600 CPU: 2549.65, 0.00317801/step Wall: 2549.65, 0.00317801/step, 3.70097 hours remaining, 236.781250 MB of memory in use. ENERGY: 807600 3933.9175 20342.2819 14473.0865 257.4677 -203218.1027 2623.9228 0.0000 0.0000 52279.8884 -109307.5379 300.4532 -161587.4263 -108941.3332 299.4086 -53.3182 -26.1287 761756.5938 -9.6234 -9.6130 PRESSURE: 807800 -169.958 77.4759 -166.355 77.4762 552.345 85.1475 -166.355 85.1469 -264.002 GPRESSURE: 807800 -65.3708 281.594 -94.5068 125.77 552.542 96.5357 -229.516 -92.2803 -274.492 PRESSAVG: 807800 33.5097 5.50319 -9.2847 5.50321 -17.0172 -25.279 -9.28464 -25.2789 2.56518 GPRESSAVG: 807800 33.8994 5.58379 -9.83079 5.33073 -18.0158 -24.054 -7.40266 -26.6928 3.44651 TIMING: 807800 CPU: 2550.28, 0.00317055/step Wall: 2550.28, 0.00317055/step, 3.69211 hours remaining, 236.781250 MB of memory in use. ENERGY: 807800 4014.0064 20487.7552 14489.4989 245.1168 -203530.6431 2836.3516 0.0000 0.0000 52023.4202 -109434.4940 298.9793 -161457.9142 -109077.4622 299.4891 39.4616 70.8929 762065.9521 6.3525 6.4434 PRESSURE: 808000 -311.048 42.563 -19.2721 42.5634 134.618 50.4067 -19.2721 50.4082 -62.8741 GPRESSURE: 808000 -213.704 114.894 -18.6512 15.2592 196.032 84.6055 69.9042 175.933 -118.177 PRESSAVG: 808000 -77.7569 5.17047 43.1269 5.17049 30.8065 61.2173 43.1269 61.2172 2.10878 GPRESSAVG: 808000 -78.1402 5.78611 42.8872 5.77409 33.9936 60.198 43.8561 62.0366 0.334795 TIMING: 808000 CPU: 2550.92, 0.00317638/step Wall: 2550.92, 0.00317638/step, 3.69872 hours remaining, 236.781250 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: 808000 4006.6533 20527.0354 14426.9327 246.0337 -203116.1421 2465.2449 0.0000 0.0000 52061.5884 -109382.6538 299.1987 -161444.2421 -109013.5360 299.3512 -79.7679 -45.2830 762658.5383 -14.9472 -14.6039 PRESSURE: 808200 72.9399 213.877 62.5059 213.878 69.6631 153.006 62.5069 153.005 -254.182 GPRESSURE: 808200 118.126 193.119 118.428 153.944 59.1849 141.874 -162.795 221.88 -201.722 PRESSAVG: 808200 -54.005 -13.282 34.124 -13.2821 45.081 19.3769 34.1241 19.3768 7.69541 GPRESSAVG: 808200 -53.9656 -13.1642 34.8539 -15.6486 44.6719 20.3756 31.3651 19.961 8.2194 TIMING: 808200 CPU: 2551.56, 0.00319348/step Wall: 2551.56, 0.00319348/step, 3.71845 hours remaining, 236.781250 MB of memory in use. ENERGY: 808200 4056.7364 20410.6239 14477.8426 242.2974 -203274.8344 2633.7920 0.0000 0.0000 52094.3398 -109359.2022 299.3869 -161453.5420 -108991.2975 299.4975 -37.1930 -8.1371 763126.6615 -0.4095 -0.3581 LDB: ============= START OF LOAD BALANCING ============== 2564.01 LDB: ============== END OF LOAD BALANCING =============== 2564.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2564.01 LDB: ============= START OF LOAD BALANCING ============== 2564.33 LDB: Largest compute 7064 load 0.034882 is 17.9% of average load 0.195061 LDB: Average compute 0.004406 is 2.3% of average load 0.195061 LDB: TIME 2564.33 LOAD: AVG 0.195061 MAX 0.212161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 2564.33 LOAD: AVG 0.195061 MAX 0.212161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.812 MB LDB: TIME 2564.33 LOAD: AVG 0.195061 MAX 0.212161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.812 MB LDB: ============== END OF LOAD BALANCING =============== 2564.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2564.34 PRESSURE: 808400 -567.704 3.94617 -50.7354 3.94606 -509.734 4.7588 -50.7354 4.75926 -474.443 GPRESSURE: 808400 -644.602 -74.0089 -124.822 -117.816 -456.79 6.63577 -147.466 -110.091 -346.682 PRESSAVG: 808400 -62.9805 5.10189 -44.0867 5.10194 52.9519 28.5433 -44.0867 28.5433 -0.0620414 GPRESSAVG: 808400 -61.542 5.36769 -44.5249 5.69604 51.7574 27.9292 -42.6003 26.8171 0.23618 TIMING: 808400 CPU: 2552.21, 0.00323221/step Wall: 2552.21, 0.00323221/step, 3.76337 hours remaining, 237.550781 MB of memory in use. ENERGY: 808400 4114.1650 20363.1208 14437.2813 236.6384 -202750.9875 2115.2470 0.0000 0.0000 52298.0822 -109186.4527 300.5578 -161484.5349 -108819.0915 299.8873 -517.2937 -482.6911 763579.5097 -3.3635 -3.1828 PRESSURE: 808600 242.082 14.0595 26.0787 14.0589 -57.3509 13.2156 26.0787 13.216 165.43 GPRESSURE: 808600 323.915 -62.9012 -36.1412 88.4307 -35.0607 88.8929 -11.6264 -27.6238 145.833 PRESSAVG: 808600 6.4652 21.7168 46.9161 21.7169 -18.9851 19.4494 46.9161 19.4494 3.78343 GPRESSAVG: 808600 5.01865 21.8318 46.0979 22.1367 -17.3304 20.5467 46.7832 17.9253 3.6927 TIMING: 808600 CPU: 2552.84, 0.00315903/step Wall: 2552.84, 0.00315903/step, 3.67799 hours remaining, 237.753906 MB of memory in use. ENERGY: 808600 4030.6686 20609.6390 14462.0942 247.3885 -203279.6930 2768.0894 0.0000 0.0000 52085.6635 -109076.1497 299.3370 -161161.8132 -108715.8861 299.8968 116.7205 144.8958 761477.6204 -2.9122 -2.8730 PRESSURE: 808800 -210.266 -70.9963 163.092 -70.9962 -60.6164 -58.1161 163.094 -58.116 95.9188 GPRESSURE: 808800 -150.532 -40.8912 183.672 -96.3675 -11.89 -32.0641 116.448 -39.8046 76.2849 PRESSAVG: 808800 11.079 -62.2957 -2.5904 -62.2958 2.25964 18.229 -2.59052 18.2289 -2.75872 GPRESSAVG: 808800 10.9041 -62.2865 -0.94764 -62.698 3.14297 18.1094 -2.35235 18.6974 -2.87734 TIMING: 808800 CPU: 2553.48, 0.00320518/step Wall: 2553.48, 0.00320518/step, 3.73154 hours remaining, 237.753906 MB of memory in use. ENERGY: 808800 4037.4191 20578.6346 14457.6277 252.6145 -203230.6838 2731.5638 0.0000 0.0000 52181.9981 -108990.8260 299.8907 -161172.8241 -108629.7920 299.9727 -58.3212 -28.7124 761191.0899 3.5266 3.7232 PRESSURE: 809000 114.203 -35.0498 113.286 -35.0505 248.027 -49.1212 113.286 -49.1214 2.07534 GPRESSURE: 809000 250.995 -2.51097 112.569 -157.945 220.287 -100.144 52.0705 28.6933 -10.75 PRESSAVG: 809000 0.147406 -20.0496 -4.96587 -20.0495 14.822 29.8225 -4.96592 29.8224 -26.6201 GPRESSAVG: 809000 2.1205 -19.8168 -6.08864 -19.792 13.1597 29.1809 -4.56054 29.7673 -26.5337 TIMING: 809000 CPU: 2554.12, 0.00320455/step Wall: 2554.12, 0.00320455/step, 3.73063 hours remaining, 237.753906 MB of memory in use. ENERGY: 809000 4029.6651 20534.0390 14413.0878 249.0552 -203375.1738 2784.3677 0.0000 0.0000 52443.2217 -108921.7374 301.3919 -161364.9591 -108553.1054 300.5681 121.4349 153.5109 761481.5357 -3.8836 -3.7512 PRESSURE: 809200 198.353 -55.3886 -143.084 -55.3883 -221.652 9.46677 -143.084 9.4671 -269.69 GPRESSURE: 809200 214.39 -72.7274 -152.363 -16.7873 -147.891 -47.4052 -120.194 -36.9272 -261.025 PRESSAVG: 809200 34.5233 -64.822 57.1661 -64.822 -15.2847 64.4046 57.1661 64.4046 -13.5417 GPRESSAVG: 809200 34.9663 -65.7125 58.8374 -65.3823 -15.4466 64.8699 56.7604 64.9536 -14.0909 TIMING: 809200 CPU: 2554.76, 0.00320303/step Wall: 2554.76, 0.00320303/step, 3.72868 hours remaining, 237.753906 MB of memory in use. ENERGY: 809200 4046.4248 20502.2340 14482.8361 250.1094 -203188.0746 2616.2812 0.0000 0.0000 52305.8455 -108984.3436 300.6024 -161290.1892 -108628.0358 300.8783 -97.6630 -64.8421 760420.1884 1.8990 1.8096 PRESSURE: 809400 -48.4523 -235.166 -145.735 -235.167 -197.457 -98.7557 -145.735 -98.7564 145.685 GPRESSURE: 809400 -15.2915 -115.592 -168.087 -334.813 -130.367 -144.607 -40.7753 -79.1798 139.002 PRESSAVG: 809400 31.5638 -97.8482 -28.3277 -97.8481 -57.598 -17.5859 -28.3276 -17.5859 21.2181 GPRESSAVG: 809400 31.4391 -98.074 -29.9083 -97.6089 -56.3753 -17.6472 -26.6188 -17.2002 20.5249 TIMING: 809400 CPU: 2555.41, 0.00323971/step Wall: 2555.41, 0.00323971/step, 3.7712 hours remaining, 237.753906 MB of memory in use. ENERGY: 809400 4002.5733 20549.3075 14503.1378 243.5102 -202928.6554 2428.1345 0.0000 0.0000 52151.8869 -109050.1052 299.7176 -161201.9921 -108701.8985 300.0994 -33.4081 -2.2186 761056.9841 -1.6054 -1.4704 PRESSURE: 809600 -413.759 -86.6701 29.841 -86.6696 -251.326 54.4127 29.8406 54.412 -342.795 GPRESSURE: 809600 -419.537 -200.793 100.451 -80.9365 -196.291 118.078 -49.8975 92.7458 -310.924 PRESSAVG: 809600 -37.6037 -54.5374 63.0281 -54.5374 28.632 37.5276 63.0281 37.5277 24.0116 GPRESSAVG: 809600 -40.1418 -54.5894 63.9962 -53.3989 29.2494 37.7519 62.4026 38.1068 25.8265 TIMING: 809600 CPU: 2556.05, 0.00322443/step Wall: 2556.05, 0.00322443/step, 3.75324 hours remaining, 237.753906 MB of memory in use. ENERGY: 809600 4008.3177 20740.4534 14469.1426 242.1316 -202531.9180 2231.1654 0.0000 0.0000 52080.4467 -108760.2606 299.3070 -160840.7073 -108405.1483 300.5205 -335.9599 -308.9170 762708.2172 5.0133 4.9780 PRESSURE: 809800 -458.403 -245.385 -238.85 -245.385 -60.3851 23.0786 -238.85 23.0792 120.923 GPRESSURE: 809800 -359.09 -274.863 -185.875 -293.186 -65.8734 -57.3145 -171.782 39.3302 105.702 PRESSAVG: 809800 -4.6814 -13.0807 -13.1978 -13.0807 -3.50085 35.322 -13.1978 35.322 -31.2982 GPRESSAVG: 809800 -2.73304 -13.9436 -13.9854 -13.4697 -4.99368 36.2122 -13.1286 34.5341 -31.7253 TIMING: 809800 CPU: 2556.7, 0.00323665/step Wall: 2556.7, 0.00323665/step, 3.76729 hours remaining, 237.753906 MB of memory in use. ENERGY: 809800 4102.6825 20564.6192 14433.7826 233.0768 -202724.6455 2316.7790 0.0000 0.0000 52450.0844 -108623.6209 301.4314 -161073.7053 -108265.7033 300.6813 -132.6218 -106.4203 761724.9354 -13.1601 -13.1507 PRESSURE: 810000 -410.759 -221.622 -49.3292 -221.622 -103.074 98.9193 -49.3291 98.9192 -256.085 GPRESSURE: 810000 -411.187 -220.122 -56.7806 -139.711 -51.5895 154.135 -56.3897 75.809 -216.121 PRESSAVG: 810000 3.82561 4.03749 2.86121 4.03749 -30.1481 -1.3532 2.86116 -1.3532 -2.64522 GPRESSAVG: 810000 3.12766 4.93225 3.86693 4.02748 -29.4517 -1.17156 1.90864 -1.21835 -2.51689 TIMING: 810000 CPU: 2557.34, 0.00321056/step Wall: 2557.34, 0.00321056/step, 3.73673 hours remaining, 237.753906 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: 810000 3976.0135 20569.4592 14413.4272 238.4646 -202665.6549 2298.2713 0.0000 0.0000 52163.0657 -109006.9533 299.7819 -161170.0190 -108641.8266 300.9302 -256.6391 -226.2993 762752.4809 -9.6559 -9.6136 PRESSURE: 810200 46.7325 -220.806 199.097 -220.806 151.727 -110.477 199.096 -110.477 -66.4287 GPRESSURE: 810200 52.8496 -183.845 130.592 -220.796 151.676 -99.8301 187.123 76.5527 26.3029 PRESSAVG: 810200 -17.6059 9.61887 -33.26 9.61894 -6.15151 -2.09986 -33.26 -2.09982 19.1631 GPRESSAVG: 810200 -17.1921 10.2904 -33.2374 10.1355 -5.99562 -3.45976 -33.659 1.09471 18.4377 TIMING: 810200 CPU: 2557.99, 0.00322671/step Wall: 2557.99, 0.00322671/step, 3.75535 hours remaining, 237.753906 MB of memory in use. ENERGY: 810200 4001.1541 20493.6970 14418.1231 278.6788 -203126.4435 2581.0619 0.0000 0.0000 52269.4978 -109084.2307 300.3935 -161353.7285 -108717.6101 300.1072 44.0103 76.9428 761345.9761 -1.5314 -1.5833 PRESSURE: 810400 89.4962 -99.3298 104.315 -99.329 456.792 -192.941 104.314 -192.943 208.26 GPRESSURE: 810400 78.7447 -65.6269 126.815 -233.634 503.32 -183.737 142.729 -274.952 275.974 PRESSAVG: 810400 -6.30571 24.7503 17.3454 24.7504 -5.52071 -8.24959 17.3454 -8.24962 -28.4227 GPRESSAVG: 810400 -5.95531 23.9375 18.6356 23.446 -5.6372 -7.52029 16.7801 -12.5597 -28.3954 TIMING: 810400 CPU: 2558.63, 0.00320975/step Wall: 2558.63, 0.00320975/step, 3.73544 hours remaining, 237.753906 MB of memory in use. ENERGY: 810400 3955.7718 20607.8069 14423.5551 241.3302 -202906.3245 2463.7828 0.0000 0.0000 51930.7895 -109283.2883 298.4470 -161214.0778 -108928.6837 300.0687 251.5163 286.0126 759970.0728 -13.4164 -13.3293 PRESSURE: 810600 55.2525 70.9768 -114.403 70.9772 258.343 85.8329 -114.402 85.8336 511.159 GPRESSURE: 810600 54.9693 92.9273 -66.9147 39.8211 303.542 49.5225 -107.89 192.589 551.66 PRESSAVG: 810600 -14.7338 24.7488 -11.5319 24.7488 46.0844 -8.70399 -11.5319 -8.70386 18.2709 GPRESSAVG: 810600 -14.7467 23.5512 -12.5959 25.3749 46.7775 -10.4561 -10.3917 -7.01233 17.6018 TIMING: 810600 CPU: 2559.28, 0.00325572/step Wall: 2559.28, 0.00325572/step, 3.78876 hours remaining, 237.753906 MB of memory in use. ENERGY: 810600 3948.7797 20412.2650 14430.1703 254.0776 -202802.5553 2309.7040 0.0000 0.0000 52028.5445 -109419.0141 299.0088 -161447.5586 -109055.1774 299.5627 274.9185 303.3905 760993.2805 16.5405 16.5442 PRESSURE: 810800 -188.814 -21.6255 19.8009 -21.6256 -270.793 70.7237 19.8009 70.7226 165.197 GPRESSURE: 810800 -137.744 -42.4658 -31.3581 -85.3363 -294.658 77.1504 -133.283 64.5424 210.705 PRESSAVG: 810800 -21.9482 -17.2119 -1.51382 -17.2119 60.8282 82.612 -1.51378 82.612 17.818 GPRESSAVG: 810800 -23.0044 -15.9129 -1.27256 -16.8419 60.0567 85.244 -3.23411 83.4526 19.6772 TIMING: 810800 CPU: 2559.93, 0.00323586/step Wall: 2559.93, 0.00323586/step, 3.76546 hours remaining, 237.753906 MB of memory in use. ENERGY: 810800 4015.5325 20442.3422 14428.8479 233.8792 -203059.3723 2349.1700 0.0000 0.0000 52211.3449 -109378.2556 300.0593 -161589.6005 -109007.3308 299.5976 -98.1365 -73.8989 760322.0922 18.8993 18.9098 PRESSURE: 811000 79.3651 -105.104 -54.5125 -105.104 556.546 193.879 -54.5124 193.879 171.683 GPRESSURE: 811000 163.933 10.3958 -31.9489 -147.158 581.326 142.282 -51.5669 86.1074 123.849 PRESSAVG: 811000 -51.4193 -47.8958 1.32268 -47.8958 50.7862 -8.1167 1.32268 -8.11675 10.6842 GPRESSAVG: 811000 -50.3579 -47.0787 0.584623 -47.9257 51.0992 -8.06141 2.49431 -11.7399 9.56348 TIMING: 811000 CPU: 2560.57, 0.00320428/step Wall: 2560.57, 0.00320428/step, 3.72854 hours remaining, 237.753906 MB of memory in use. ENERGY: 811000 3966.2542 20559.6579 14468.4987 236.9880 -203525.4401 2776.4440 0.0000 0.0000 52270.1537 -109247.4436 300.3973 -161517.5973 -108884.8640 299.5986 269.1980 289.7029 759674.5903 3.3503 3.4349 PRESSURE: 811200 -7.08508 65.0566 146.875 65.057 -106.225 -52.7111 146.875 -52.7113 -283.694 GPRESSURE: 811200 60.8045 85.8356 212.684 32.7426 -7.78017 -38.5386 92.4459 13.3717 -358.343 PRESSAVG: 811200 -35.4394 -20.483 -1.3805 -20.483 61.8117 13.7554 -1.38046 13.7554 6.96719 GPRESSAVG: 811200 -35.4646 -19.6058 0.277537 -21.3162 61.8821 12.7902 -2.1814 17.0906 7.54839 TIMING: 811200 CPU: 2561.21, 0.00320025/step Wall: 2561.21, 0.00320025/step, 3.72367 hours remaining, 237.753906 MB of memory in use. ENERGY: 811200 4054.0652 20502.8991 14431.7424 250.5377 -203257.1961 2628.3506 0.0000 0.0000 52239.5747 -109150.0264 300.2216 -161389.6011 -108792.1475 299.6490 -132.3346 -101.7729 762650.0413 11.1132 11.3219 PRESSURE: 811400 297.785 85.6019 51.8819 85.6007 256.72 196.099 51.8825 196.099 95.6819 GPRESSURE: 811400 261.067 75.0078 -30.4401 53.2644 369.345 128.054 49.3801 256.685 104.579 PRESSAVG: 811400 -65.048 -39.5281 -26.4748 -39.5281 53.3676 10.0256 -26.4747 10.0256 -18.6671 GPRESSAVG: 811400 -65.3756 -40.273 -27.3446 -40.3069 53.553 10.8133 -25.6906 7.90607 -18.3517 TIMING: 811400 CPU: 2561.85, 0.00321727/step Wall: 2561.85, 0.00321727/step, 3.7433 hours remaining, 237.753906 MB of memory in use. ENERGY: 811400 3925.7761 20498.2958 14431.5452 241.5716 -203317.3865 2769.7176 0.0000 0.0000 52209.2833 -109241.1968 300.0475 -161450.4801 -108874.4462 300.2376 216.7289 244.9973 760598.8098 -10.1158 -10.0581 PRESSURE: 811600 168.8 -12.827 -68.4612 -12.8273 -86.333 168.553 -68.461 168.553 18.856 GPRESSURE: 811600 158.843 -28.908 -56.8682 -10.5031 -101.345 238.797 -104.248 126.524 114.112 PRESSAVG: 811600 -45.8173 43.9723 51.6539 43.9723 41.8118 46.8551 51.6538 46.8551 -21.0105 GPRESSAVG: 811600 -44.8019 44.5402 52.3358 46.0071 40.7932 47.5706 48.9113 46.0839 -21.0863 TIMING: 811600 CPU: 2562.49, 0.0031787/step Wall: 2562.49, 0.0031787/step, 3.69824 hours remaining, 237.753906 MB of memory in use. ENERGY: 811600 4005.1632 20438.5365 14512.6939 244.6319 -203718.6595 2633.5010 0.0000 0.0000 52686.8329 -109197.3001 302.7920 -161884.1329 -108828.7518 299.8011 33.7743 57.2035 761094.7676 -8.3387 -8.3650 PRESSURE: 811800 -111.908 -26.6395 -220.827 -26.6403 -337.411 81.5004 -220.826 81.5 -28.7772 GPRESSURE: 811800 -60.2259 -23.3731 -146.059 -132.329 -324.923 -40.7499 -182.519 86.599 15.1353 PRESSAVG: 811800 75.58 -67.3533 9.97312 -67.3532 -41.7226 12.5311 9.97316 12.5312 18.2828 GPRESSAVG: 811800 76.0646 -66.598 9.48218 -69.7438 -42.2878 8.51341 12.2563 16.5095 18.8051 TIMING: 811800 CPU: 2563.13, 0.00319599/step Wall: 2563.13, 0.00319599/step, 3.71818 hours remaining, 237.753906 MB of memory in use. ENERGY: 811800 3916.1151 20649.4146 14457.9673 259.1043 -203287.1788 2490.4141 0.0000 0.0000 52316.2713 -109197.8921 300.6623 -161514.1634 -108838.5387 300.0570 -159.3653 -123.3378 762359.8901 17.3800 17.5273 PRESSURE: 812000 61.6147 102.001 -105.551 102.001 -125.748 -215.496 -105.551 -215.495 -70.1332 GPRESSURE: 812000 97.8306 106.216 -124.953 84.102 -69.7846 -153.214 -94.5161 -6.723 -86.0858 PRESSAVG: 812000 -18.1025 -57.0355 -10.3912 -57.0356 16.9862 -18.7962 -10.3914 -18.7963 10.2723 GPRESSAVG: 812000 -19.1802 -58.4619 -12.3784 -54.9532 18.9671 -15.6409 -8.87757 -21.1483 9.16106 TIMING: 812000 CPU: 2563.77, 0.0032075/step Wall: 2563.77, 0.0032075/step, 3.73139 hours remaining, 237.753906 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: 812000 4001.1841 20491.9147 14439.8219 242.6152 -203046.5337 2403.3901 0.0000 0.0000 52189.9176 -109277.6902 299.9362 -161467.6077 -108914.4545 300.1674 -44.7556 -19.3466 762195.9865 3.0520 2.9827 PRESSURE: 812200 139.98 -17.7855 -106.938 -17.7857 123.128 25.5204 -106.938 25.5209 -46.719 GPRESSURE: 812200 169.928 -80.7101 -66.1252 -83.5603 114.003 81.0694 -171.553 -46.2366 42.3162 PRESSAVG: 812200 -83.1041 -57.5259 -9.4215 -57.5259 22.286 39.3748 -9.42151 39.3748 11.2183 GPRESSAVG: 812200 -82.7879 -55.529 -6.68653 -59.1237 21.6203 38.6882 -10.6116 39.2749 11.9685 TIMING: 812200 CPU: 2564.41, 0.00320542/step Wall: 2564.41, 0.00320542/step, 3.7288 hours remaining, 237.753906 MB of memory in use. ENERGY: 812200 3935.9991 20476.9623 14518.3327 236.6192 -203364.2605 2630.1120 0.0000 0.0000 52069.6066 -109496.6286 299.2447 -161566.2353 -109129.3475 299.0705 72.1295 108.7491 762149.2482 -16.5332 -16.3997 LDB: ============= START OF LOAD BALANCING ============== 2576.87 LDB: ============== END OF LOAD BALANCING =============== 2576.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2576.87 LDB: ============= START OF LOAD BALANCING ============== 2577.19 LDB: Largest compute 7073 load 0.038020 is 19.5% of average load 0.195007 LDB: Average compute 0.004395 is 2.3% of average load 0.195007 LDB: TIME 2577.19 LOAD: AVG 0.195007 MAX 0.216091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.324 MB LDB: TIME 2577.19 LOAD: AVG 0.195007 MAX 0.216091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: TIME 2577.19 LOAD: AVG 0.195007 MAX 0.216091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.324 MB LDB: ============== END OF LOAD BALANCING =============== 2577.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2577.2 PRESSURE: 812400 -217.589 -208.033 -219.334 -208.033 42.7082 85.086 -219.336 85.086 66.4091 GPRESSURE: 812400 -59.8397 -113.913 -244.717 -117.84 30.2079 141.369 -189.723 121.87 -30.6639 PRESSAVG: 812400 -20.1316 -30.864 -27.3212 -30.864 84.2417 45.3446 -27.3212 45.3446 24.6189 GPRESSAVG: 812400 -18.8343 -31.4222 -29.9424 -30.2643 82.7925 46.1088 -26.9777 44.1018 24.5824 TIMING: 812400 CPU: 2565.06, 0.00326465/step Wall: 2565.06, 0.00326465/step, 3.79752 hours remaining, 236.125000 MB of memory in use. ENERGY: 812400 3974.9442 20500.5337 14530.1882 229.0280 -203025.1309 2536.4692 0.0000 0.0000 51740.0656 -109513.9020 297.3509 -161253.9675 -109148.2710 299.0765 -36.1574 -20.0986 762000.0424 29.5763 29.5135 PRESSURE: 812600 -145.147 164.061 -112.205 164.061 -270.065 61.5549 -112.206 61.5543 -60.0907 GPRESSURE: 812600 -148.581 123.447 -98.4621 147.281 -245.42 -32.6999 -85.8912 111.104 -15.1064 PRESSAVG: 812600 31.499 -35.3709 3.98204 -35.3708 27.2451 19.6597 3.98205 19.6597 10.2427 GPRESSAVG: 812600 31.5232 -37.8046 5.93346 -33.9748 27.6873 20.1754 3.25214 22.8517 9.9605 TIMING: 812600 CPU: 2565.71, 0.0032493/step Wall: 2565.71, 0.0032493/step, 3.77948 hours remaining, 236.269531 MB of memory in use. ENERGY: 812600 3982.2531 20498.5342 14418.9247 243.1746 -203063.2880 2309.7147 0.0000 0.0000 52302.5039 -109308.1828 300.5832 -161610.6867 -108948.2087 299.4353 -158.4343 -136.3691 762367.8377 22.9956 23.0570 PRESSURE: 812800 -207.582 -255.514 112.483 -255.515 -79.8247 90.0953 112.483 90.0962 -159.029 GPRESSURE: 812800 -183.618 -375.267 175.87 -109.068 -26.2799 21.9621 144.509 107.183 -130.571 PRESSAVG: 812800 6.71424 -13.727 13.9317 -13.727 -43.104 30.6098 13.9317 30.6099 7.02201 GPRESSAVG: 812800 5.19912 -12.9566 14.3857 -13.9246 -41.7155 29.6446 14.5617 26.7776 7.0948 TIMING: 812800 CPU: 2566.36, 0.0032537/step Wall: 2566.36, 0.0032537/step, 3.78441 hours remaining, 236.269531 MB of memory in use. ENERGY: 812800 3929.4836 20480.4582 14422.5598 252.0832 -202942.9137 2311.1562 0.0000 0.0000 52011.9095 -109535.2632 298.9132 -161547.1727 -109180.1275 299.1129 -148.8119 -113.4898 762309.2494 -9.7892 -9.8072 PRESSURE: 813000 39.4647 -46.0755 -58.7459 -46.0764 293.425 0.682658 -58.7459 0.68282 358.185 GPRESSURE: 813000 61.4487 -118.935 -38.9031 -65.252 321.844 60.1228 -87.7704 131.188 375.14 PRESSAVG: 813000 -4.63222 -52.4473 30.9604 -52.4472 20.1874 64.9068 30.9604 64.9068 10.7691 GPRESSAVG: 813000 -3.71363 -49.8415 30.3277 -53.535 19.7196 64.6301 30.6998 66.8913 10.3858 TIMING: 813000 CPU: 2567.02, 0.00327252/step Wall: 2567.02, 0.00327252/step, 3.80613 hours remaining, 236.269531 MB of memory in use. ENERGY: 813000 3930.6280 20509.8774 14397.9341 227.9952 -203252.5948 2495.8334 0.0000 0.0000 52031.2850 -109659.0417 299.0245 -161690.3266 -109290.5001 298.8484 230.3583 252.8108 761805.8917 8.7748 8.7973 PRESSURE: 813200 476.767 11.9692 -100.771 11.969 60.3154 227.615 -100.772 227.614 491.594 GPRESSURE: 813200 468.134 85.764 -111.944 38.196 138.599 262.282 -95.8762 117.564 512.619 PRESSAVG: 813200 -29.2413 -46.3501 -72.0974 -46.3501 43.1152 72.9235 -72.0974 72.9234 4.25934 GPRESSAVG: 813200 -31.1136 -48.5523 -71.9216 -44.3016 44.959 71.775 -69.221 73.6588 4.16712 TIMING: 813200 CPU: 2567.67, 0.00328475/step Wall: 2567.67, 0.00328475/step, 3.82017 hours remaining, 236.269531 MB of memory in use. ENERGY: 813200 4012.8262 20230.1087 14432.0438 228.1184 -203489.6847 2916.8488 0.0000 0.0000 51857.1587 -109812.5801 298.0238 -161669.7388 -109439.8084 298.1892 342.8921 373.1173 760341.9225 6.0444 6.0042 PRESSURE: 813400 -62.7063 59.4175 -89.7558 59.4182 -101.233 216.474 -89.7555 216.473 145.184 GPRESSURE: 813400 -25.616 -12.2958 -69.4765 96.138 -52.6603 152.019 -91.3551 114.581 151.667 PRESSAVG: 813400 6.12783 -12.6552 -65.8868 -12.6552 -39.2859 33.4105 -65.8867 33.4105 -11.7285 GPRESSAVG: 813400 8.59596 -13.0331 -65.9427 -13.2264 -41.8037 32.9699 -71.8721 32.7578 -12.3308 TIMING: 813400 CPU: 2568.33, 0.00325887/step Wall: 2568.33, 0.00325887/step, 3.78988 hours remaining, 236.472656 MB of memory in use. ENERGY: 813400 4029.6819 20385.5963 14394.2775 238.0944 -203198.3952 2613.9025 0.0000 0.0000 52144.5405 -109392.3020 299.6754 -161536.8425 -109026.3765 298.6890 -6.2517 24.4637 761322.6368 -14.9622 -15.1795 PRESSURE: 813600 42.3521 -59.0783 182.34 -59.0796 -154.509 -97.9992 182.34 -97.9985 487.25 GPRESSURE: 813600 62.4276 11.2453 162.08 -58.6723 -31.558 -108.425 252.159 -44.5143 459.122 PRESSAVG: 813600 -19.6063 -9.68796 24.7127 -9.68797 60.6352 29.2796 24.7127 29.2796 -6.06623 GPRESSAVG: 813600 -20.7285 -7.30835 23.9252 -9.62188 60.533 29.4618 28.7643 29.4565 -5.03311 TIMING: 813600 CPU: 2568.98, 0.00324964/step Wall: 2568.98, 0.00324964/step, 3.77897 hours remaining, 236.472656 MB of memory in use. ENERGY: 813600 3947.6721 20420.0881 14412.3338 256.4494 -203277.2889 2585.9230 0.0000 0.0000 52010.2494 -109644.5731 298.9036 -161654.8225 -109278.7960 299.1433 125.0310 163.3305 761294.5262 11.6542 11.5905 PRESSURE: 813800 61.5697 113.958 11.8102 113.957 17.7719 -87.0018 11.8101 -87.0012 317.137 GPRESSURE: 813800 17.0724 -42.2087 75.518 13.1292 156.716 -148.976 -109.653 -117.565 311.654 PRESSAVG: 813800 5.46479 50.1143 9.13461 50.1143 -8.90074 -18.8188 9.1346 -18.8188 -2.60722 GPRESSAVG: 813800 6.25841 46.0629 10.5303 50.2397 -9.05143 -15.6151 8.27759 -19.7899 -2.84098 TIMING: 813800 CPU: 2569.63, 0.00326338/step Wall: 2569.63, 0.00326338/step, 3.79477 hours remaining, 236.472656 MB of memory in use. ENERGY: 813800 3947.6511 20384.7139 14415.8973 256.5869 -203152.4183 2517.7230 0.0000 0.0000 51914.7705 -109715.0756 298.3549 -161629.8461 -109350.3058 298.6643 132.1596 161.8140 761872.3801 -2.0144 -1.8780 PRESSURE: 814000 -21.0467 -51.2049 -146.096 -51.2041 99.344 231.824 -146.096 231.824 132.234 GPRESSURE: 814000 25.9994 16.3784 -198.779 -70.591 130.684 301.793 -38.8046 50.5984 132.917 PRESSAVG: 814000 -18.0166 20.2336 14.2963 20.2336 -16.3204 49.9863 14.2964 49.9863 -2.30113 GPRESSAVG: 814000 -18.6258 24.1994 13.3811 19.7158 -16.4511 49.3325 12.9193 48.623 -1.84925 TIMING: 814000 CPU: 2570.28, 0.00325174/step Wall: 2570.28, 0.00325174/step, 3.78105 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: 814000 3893.7512 20599.0564 14386.4614 240.6119 -203348.9224 2697.2470 0.0000 0.0000 51656.8557 -109874.9388 296.8727 -161531.7946 -109522.2620 298.3340 70.1772 96.5336 763836.0756 -12.2127 -12.3087 PRESSURE: 814200 131.526 79.2735 25.1387 79.2736 511.538 -46.5605 25.1392 -46.561 346.763 GPRESSURE: 814200 211.255 -28.6791 69.0215 98.676 591.592 -59.6915 168.245 38.6705 277.396 PRESSAVG: 814200 -6.8067 -25.5656 73.9325 -25.5656 9.07984 -8.99974 73.9326 -8.99981 -2.9231 GPRESSAVG: 814200 -5.56548 -26.4937 74.9793 -25.5102 9.05012 -8.19046 74.5244 -6.85719 -4.05758 TIMING: 814200 CPU: 2570.93, 0.00326403/step Wall: 2570.93, 0.00326403/step, 3.79516 hours remaining, 236.472656 MB of memory in use. ENERGY: 814200 3935.1883 20354.8595 14460.6348 240.6982 -204028.6863 3029.0307 0.0000 0.0000 51847.9836 -110160.2913 297.9711 -162008.2748 -109793.5164 297.2298 329.9423 360.0808 762540.8489 -0.2167 -0.1910 PRESSURE: 814400 289.741 -305.218 27.8577 -305.218 13.8062 246.659 27.8574 246.66 237.42 GPRESSURE: 814400 283.794 -151.197 -12.0546 -236.924 138.814 187.86 128.615 249.925 204.025 PRESSAVG: 814400 8.95823 -63.2849 33.1823 -63.2849 -13.1973 11.6166 33.1824 11.6166 23.0325 GPRESSAVG: 814400 6.98884 -60.8501 32.1011 -65.8521 -12.9769 9.63882 34.9518 9.32507 24.8116 TIMING: 814400 CPU: 2571.58, 0.00322379/step Wall: 2571.58, 0.00322379/step, 3.74819 hours remaining, 236.472656 MB of memory in use. ENERGY: 814400 4001.4673 20330.5547 14418.6559 239.2681 -203228.0685 2550.3210 0.0000 0.0000 51777.3871 -109910.4144 297.5654 -161687.8015 -109545.6971 297.6775 180.3223 208.8778 762875.2459 6.2645 6.2745 PRESSURE: 814600 -100.083 -127.505 21.641 -127.506 -110.013 -1.30573 21.6403 -1.3058 115.714 GPRESSURE: 814600 -112.417 -75.1421 -1.70226 -94.8513 29.186 -36.2382 -48.2818 -112.616 85.3441 PRESSAVG: 814600 -40.5824 -33.5015 32.0367 -33.5015 10.8121 -34.0896 32.0367 -34.0895 9.40594 GPRESSAVG: 814600 -39.968 -36.7218 32.0259 -30.0302 11.1101 -34.2656 31.264 -31.7425 8.92883 TIMING: 814600 CPU: 2572.22, 0.00322676/step Wall: 2572.22, 0.00322676/step, 3.75147 hours remaining, 236.472656 MB of memory in use. ENERGY: 814600 4009.6912 20440.0831 14443.9145 250.4972 -203834.7765 2916.5183 0.0000 0.0000 52110.1489 -109663.9233 299.4777 -161774.0723 -109305.8819 298.4983 -31.4607 0.7044 764514.9842 -6.7881 -6.6430 PRESSURE: 814800 -123.225 81.3781 -148.29 81.3786 351.623 138.15 -148.291 138.151 -202.882 GPRESSURE: 814800 -55.9738 -3.02004 -84.5529 -35.3294 244.238 149.384 -182.468 207.354 -70.7949 PRESSAVG: 814800 -16.1669 -30.743 46.1488 -30.7429 52.7291 20.1299 46.1489 20.1299 10.7205 GPRESSAVG: 814800 -15.4828 -30.7397 48.1307 -31.2455 52.2937 20.415 46.8026 20.5569 10.9621 TIMING: 814800 CPU: 2572.87, 0.00323449/step Wall: 2572.87, 0.00323449/step, 3.76027 hours remaining, 236.472656 MB of memory in use. ENERGY: 814800 3976.6390 20407.3045 14480.6526 282.9606 -203365.8007 2728.4526 0.0000 0.0000 51915.1984 -109574.5930 298.3574 -161489.7913 -109210.2496 299.0589 8.5052 39.1564 762557.7884 15.7609 15.9244 PRESSURE: 815000 -280.995 87.9631 -58.0557 87.9616 -299.852 114.252 -58.0557 114.252 26.2824 GPRESSURE: 815000 -218.373 59.3075 -24.7211 13.1895 -287.356 189.335 -150.122 73.0661 19.2858 PRESSAVG: 815000 -84.2143 -61.1202 -1.16764 -61.1201 58.8817 64.9003 -1.16766 64.9003 -11.4553 GPRESSAVG: 815000 -84.417 -61.6466 -2.60241 -62.5401 58.4059 65.6169 -2.87831 60.7497 -10.9371 TIMING: 815000 CPU: 2573.52, 0.0032594/step Wall: 2573.52, 0.0032594/step, 3.78905 hours remaining, 236.472656 MB of memory in use. ENERGY: 815000 3959.4613 20456.3867 14509.5439 280.5026 -203148.9973 2405.7743 0.0000 0.0000 52152.6025 -109384.7261 299.7217 -161537.3286 -109013.8139 299.2567 -184.8547 -162.1475 762496.8796 -12.2626 -12.3161 PRESSURE: 815200 32.6304 8.24037 -81.7419 8.23921 -229.715 326.789 -81.742 326.789 -403.73 GPRESSURE: 815200 69.3938 -45.3683 -85.5748 -20.3202 -166.676 260.076 25.1817 279.246 -403.061 PRESSAVG: 815200 4.59083 -19.7423 -36.174 -19.7423 40.0485 23.0666 -36.1741 23.0666 -2.60643 GPRESSAVG: 815200 3.55895 -19.8508 -34.8926 -17.6769 40.9336 22.7044 -38.6315 26.8768 -3.27317 TIMING: 815200 CPU: 2574.16, 0.00321042/step Wall: 2574.16, 0.00321042/step, 3.73194 hours remaining, 236.472656 MB of memory in use. ENERGY: 815200 4015.2700 20490.6421 14484.1656 250.5694 -203276.9474 2445.4395 0.0000 0.0000 52064.0628 -109526.7979 299.2129 -161590.8608 -109158.8449 299.1239 -200.2715 -166.7808 760946.9187 14.0110 13.7398 PRESSURE: 815400 -18.4705 -92.2821 100.041 -92.2818 -289.144 -157.004 100.041 -157.004 -15.4052 GPRESSURE: 815400 -4.43558 -109.415 97.168 0.0344334 -220.209 -87.6673 101.936 -181.372 -2.80516 PRESSAVG: 815400 -16.6535 -30.2252 -24.3746 -30.2251 -9.85805 22.7782 -24.3746 22.7782 21.8929 GPRESSAVG: 815400 -15.5467 -28.9837 -26.5986 -28.9929 -10.8597 22.1726 -20.1752 20.7874 22.0805 TIMING: 815400 CPU: 2574.8, 0.00317804/step Wall: 2574.8, 0.00317804/step, 3.69412 hours remaining, 236.472656 MB of memory in use. ENERGY: 815400 4086.3904 20279.1071 14457.6310 250.6985 -203438.4213 2505.0118 0.0000 0.0000 52308.6241 -109550.9584 300.6184 -161859.5825 -109188.7312 299.5855 -107.6733 -75.8167 761655.3753 -1.5395 -1.4420 PRESSURE: 815600 -58.5493 -172.391 355.007 -172.39 17.9815 -130.283 355.008 -130.283 347.833 GPRESSURE: 815600 -101.781 -280.285 334.545 -126.712 117.156 -111.252 290.922 -134.993 385.296 PRESSAVG: 815600 -23.7821 -40.6152 -6.11806 -40.6151 0.391419 38.9483 -6.11811 38.9484 -19.0542 GPRESSAVG: 815600 -24.7974 -42.7273 -5.48656 -42.3021 1.54815 38.4456 -7.16413 38.4826 -19.1636 TIMING: 815600 CPU: 2575.44, 0.00318548/step Wall: 2575.44, 0.00318548/step, 3.70259 hours remaining, 236.472656 MB of memory in use. ENERGY: 815600 3995.8344 20419.5360 14494.3136 247.3060 -203257.5831 2644.2311 0.0000 0.0000 52108.4062 -109347.9558 299.4677 -161456.3619 -108988.9686 299.2484 102.4217 133.5569 762357.3975 -14.1483 -14.1376 PRESSURE: 815800 -50.9958 64.745 -60.6287 64.7442 -83.9347 64.7458 -60.6288 64.7463 -87.7713 GPRESSURE: 815800 35.8237 9.37391 -53.3302 122.018 -47.1186 44.9103 -152.618 29.9801 -111.018 PRESSAVG: 815800 -18.9338 -41.7533 52.2357 -41.7533 38.2797 46.4933 52.2358 46.4934 -7.6892 GPRESSAVG: 815800 -18.3951 -40.0307 51.6814 -42.9076 37.4063 44.8288 51.1773 46.376 -7.57164 TIMING: 815800 CPU: 2576.07, 0.00316941/step Wall: 2576.07, 0.00316941/step, 3.68374 hours remaining, 236.472656 MB of memory in use. ENERGY: 815800 4059.0160 20638.4259 14486.1433 243.8728 -202926.1824 2285.1506 0.0000 0.0000 52017.0679 -109196.5059 298.9428 -161213.5738 -108830.3095 299.5254 -74.2339 -40.7710 762071.7990 3.8856 3.8132 PRESSURE: 816000 7.53397 -273.624 135.618 -273.623 400.937 123.519 135.617 123.519 39.6481 GPRESSURE: 816000 -8.49808 -284.02 153.762 -243.495 426.809 119.203 110.085 142.086 88.9377 PRESSAVG: 816000 -8.37244 -39.5092 3.44624 -39.5091 30.5469 23.5192 3.4462 23.5191 18.3817 GPRESSAVG: 816000 -9.69534 -40.0778 3.49264 -36.3092 30.8622 25.1397 3.15075 25.0003 18.6591 TIMING: 816000 CPU: 2576.71, 0.00319311/step Wall: 2576.71, 0.00319311/step, 3.71111 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: 816000 3912.4666 20558.5850 14507.4237 263.6709 -203088.8949 2360.0243 0.0000 0.0000 52283.5717 -109203.1526 300.4744 -161486.7243 -108843.5543 300.0060 149.3729 169.0827 760302.0119 13.5187 13.2753 PRESSURE: 816200 -152.107 -146.939 288.667 -146.939 -211.196 -27.6613 288.667 -27.6598 173.769 GPRESSURE: 816200 -53.8048 -145.547 291.927 -158.748 -181.999 14.1156 179.926 -99.2364 131.138 PRESSAVG: 816200 -16.6655 -48.047 40.0496 -48.047 -8.1238 27.4288 40.0497 27.4288 22.2496 GPRESSAVG: 816200 -15.4179 -47.3461 42.7265 -51.3593 -9.57511 29.4943 38.5009 26.5085 21.8508 TIMING: 816200 CPU: 2577.35, 0.00320292/step Wall: 2577.35, 0.00320292/step, 3.72233 hours remaining, 236.472656 MB of memory in use. ENERGY: 816200 3958.7078 20563.3274 14502.6597 248.1100 -202975.6962 2192.6187 0.0000 0.0000 52276.4609 -109233.8118 300.4335 -161510.2727 -108863.7619 299.8489 -63.1779 -34.8886 763336.0754 -0.8466 -1.0474 LDB: ============= START OF LOAD BALANCING ============== 2589.8 LDB: ============== END OF LOAD BALANCING =============== 2589.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2589.8 LDB: ============= START OF LOAD BALANCING ============== 2590.12 LDB: Largest compute 7025 load 0.037695 is 19.3% of average load 0.195030 LDB: Average compute 0.004390 is 2.3% of average load 0.195030 LDB: TIME 2590.13 LOAD: AVG 0.19503 MAX 0.211988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.043 MB LDB: TIME 2590.13 LOAD: AVG 0.19503 MAX 0.211988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: TIME 2590.13 LOAD: AVG 0.19503 MAX 0.211988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: ============== END OF LOAD BALANCING =============== 2590.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2590.13 PRESSURE: 816400 -28.3322 42.3564 102.758 42.357 -283.258 201.787 102.757 201.787 184.607 GPRESSURE: 816400 -124.445 -1.91497 201.533 -55.2257 -99.3691 188.69 156.8 316.964 173.249 PRESSAVG: 816400 -1.89951 -31.0338 -44.4833 -31.0338 2.88318 29.4953 -44.4833 29.4952 -20.3897 GPRESSAVG: 816400 -3.79017 -31.5752 -45.1933 -31.2273 5.29559 27.2338 -44.1993 29.1358 -21.3646 TIMING: 816400 CPU: 2578, 0.00324108/step Wall: 2578, 0.00324108/step, 3.76649 hours remaining, 236.324219 MB of memory in use. ENERGY: 816400 3995.5301 20636.9790 14449.7556 266.0773 -203096.9107 2525.3429 0.0000 0.0000 52132.9188 -109090.3069 299.6086 -161223.2257 -108727.8295 299.7472 -42.3278 -16.8551 762606.9685 -6.4687 -6.6197 PRESSURE: 816600 -8.40802 9.35449 101.379 9.35386 -167.816 -123.697 101.378 -123.697 -21.1692 GPRESSURE: 816600 -64.641 -96.8804 100.451 7.00787 -94.3693 -4.69356 94.1742 -158.552 35.3013 PRESSAVG: 816600 5.15717 -42.3925 7.12737 -42.3926 -14.1475 -17.2858 7.12733 -17.2858 -8.06691 GPRESSAVG: 816600 5.25631 -41.225 5.90212 -44.4017 -15.4488 -16.1238 6.97612 -15.1179 -6.88083 TIMING: 816600 CPU: 2578.63, 0.00318549/step Wall: 2578.63, 0.00318549/step, 3.70171 hours remaining, 236.324219 MB of memory in use. ENERGY: 816600 3971.3631 20635.6362 14516.5817 253.3136 -203011.7137 2440.2519 0.0000 0.0000 52116.7826 -109077.7846 299.5159 -161194.5673 -108717.9086 300.3399 -65.7976 -41.2363 762004.8348 -5.6858 -5.6911 PRESSURE: 816800 4.66408 22.495 71.4477 22.4955 289.709 143.834 71.4476 143.834 371.334 GPRESSURE: 816800 136.427 66.0477 139.457 8.79601 267.239 53.3429 122.92 100.153 323.175 PRESSAVG: 816800 -51.5301 -13.6352 -64.8902 -13.6352 20.3316 4.20882 -64.8902 4.20883 -1.50465 GPRESSAVG: 816800 -51.7364 -14.6578 -64.5413 -8.85805 21.0971 3.39295 -64.1643 2.09544 -1.8406 TIMING: 816800 CPU: 2579.27, 0.00316007/step Wall: 2579.27, 0.00316007/step, 3.672 hours remaining, 236.324219 MB of memory in use. ENERGY: 816800 3990.8540 20692.8921 14486.7569 218.8200 -203367.6536 2572.5056 0.0000 0.0000 52314.2641 -109091.5608 300.6508 -161405.8249 -108733.2481 300.1433 221.9022 242.2806 760561.2098 -10.9011 -10.8266 PRESSURE: 817000 -292.714 21.0688 -446.632 21.0681 -124.476 142.563 -446.631 142.563 136.543 GPRESSURE: 817000 -233.869 73.5973 -499.788 51.7381 -111.678 39.6983 -347.953 77.9829 125.482 PRESSAVG: 817000 -65.0327 -13.1663 1.58537 -13.1662 125.092 18.8771 1.5854 18.8771 -4.6948 GPRESSAVG: 817000 -63.8818 -13.3679 0.798868 -15.5685 124.988 19.867 2.92057 18.1574 -5.34237 TIMING: 817000 CPU: 2579.9, 0.00317564/step Wall: 2579.9, 0.00317564/step, 3.68991 hours remaining, 236.324219 MB of memory in use. ENERGY: 817000 3994.0178 20729.3120 14428.2138 244.2262 -203227.1848 2484.9055 0.0000 0.0000 52087.4253 -109259.0840 299.3471 -161346.5094 -108899.0485 299.7814 -93.5490 -73.3552 761202.7934 18.4547 18.5881 PRESSURE: 817200 2.49395 -107.814 3.70632 -107.814 47.7671 -92.6998 3.7069 -92.6993 23.1629 GPRESSURE: 817200 35.7262 -187.212 -74.0479 -180.509 145.268 -51.9276 71.7349 -17.5218 -7.84796 PRESSAVG: 817200 -19.2192 -35.9354 -51.7406 -35.9354 1.3418 -67.1947 -51.7407 -67.1947 -9.70692 GPRESSAVG: 817200 -19.9771 -34.5791 -52.121 -35.3329 1.40959 -69.976 -53.889 -65.897 -8.69718 TIMING: 817200 CPU: 2580.53, 0.0031637/step Wall: 2580.53, 0.0031637/step, 3.67587 hours remaining, 236.324219 MB of memory in use. ENERGY: 817200 3968.1593 20766.5865 14434.8308 264.0481 -203213.1221 2352.1376 0.0000 0.0000 52280.2728 -109147.0870 300.4554 -161427.3598 -108787.3049 299.9167 24.4746 57.7154 760790.3560 -9.1948 -9.0882 PRESSURE: 817400 378.398 0.332376 207.456 0.33163 234.423 55.8695 207.456 55.8693 539.244 GPRESSURE: 817400 451.513 126.286 185.934 77.4883 293.934 136.471 26.5354 -74.8761 492.829 PRESSAVG: 817400 -10.446 -62.9038 22.8231 -62.9039 -1.89786 0.0532157 22.823 0.0531634 -14.1208 GPRESSAVG: 817400 -9.41585 -61.23 23.7445 -64.1779 -2.39467 1.6722 22.5968 1.28487 -14.5532 TIMING: 817400 CPU: 2581.17, 0.0031847/step Wall: 2581.17, 0.0031847/step, 3.70009 hours remaining, 236.324219 MB of memory in use. ENERGY: 817400 3929.2615 20452.6764 14489.5756 241.8023 -203745.4137 2963.1289 0.0000 0.0000 52265.7008 -109403.2682 300.3717 -161668.9690 -109037.7585 299.9613 384.0216 412.7585 761457.7017 -8.8216 -8.7879 PRESSURE: 817600 -201.027 43.7627 -298.54 43.7622 -21.745 184.807 -298.54 184.807 -85.2697 GPRESSURE: 817600 -189.124 -0.368135 -352.019 16.5179 -29.1966 207.557 -134.494 201.898 -1.26695 PRESSAVG: 817600 -26.6157 -116.072 -34.821 -116.072 -0.251461 23.949 -34.821 23.949 7.50858 GPRESSAVG: 817600 -26.9713 -117.094 -34.7799 -115.061 -1.28615 24.9772 -34.1159 21.5735 8.87042 TIMING: 817600 CPU: 2581.8, 0.00316248/step Wall: 2581.8, 0.00316248/step, 3.6741 hours remaining, 236.324219 MB of memory in use. ENERGY: 817600 3946.1853 20623.7673 14530.4368 249.6658 -203391.5504 2538.9110 0.0000 0.0000 52058.0463 -109444.5379 299.1783 -161502.5842 -109080.2013 299.4214 -102.6806 -73.1957 761660.1986 -6.4529 -6.4624 PRESSURE: 817800 -108.726 9.2724 215.714 9.27214 136.946 34.4395 215.715 34.4388 -359.394 GPRESSURE: 817800 -73.3694 54.1789 98.9244 -57.1923 155.977 40.7957 102.574 96.4377 -321.696 PRESSAVG: 817800 -40.3496 -19.5115 30.4167 -19.5114 51.7636 -7.4088 30.4167 -7.40883 31.2019 GPRESSAVG: 817800 -40.4956 -22.1919 30.1103 -17.8472 52.6327 -8.40973 29.8202 -6.09951 30.2339 TIMING: 817800 CPU: 2582.44, 0.00316717/step Wall: 2582.44, 0.00316717/step, 3.67937 hours remaining, 236.324219 MB of memory in use. ENERGY: 817800 4034.2936 20611.1176 14504.1296 252.9507 -203650.1722 2652.5064 0.0000 0.0000 52141.1571 -109454.0172 299.6559 -161595.1742 -109087.6013 299.1160 -110.3917 -79.6964 761624.4555 14.2053 14.1237 PRESSURE: 818000 354.119 -179.345 -111.348 -179.344 188.228 -117.973 -111.348 -117.973 91.6607 GPRESSURE: 818000 362.373 -122.098 -72.0324 -232.936 239.859 -58.6605 -131.041 -193.609 125.784 PRESSAVG: 818000 13.6733 11.0707 -16.7387 11.0708 43.2924 -25.2289 -16.7387 -25.2287 13.8965 GPRESSAVG: 818000 12.3401 10.7248 -17.793 9.45069 44.2725 -26.3428 -14.0243 -24.5791 13.6614 TIMING: 818000 CPU: 2583.07, 0.00318668/step Wall: 2583.07, 0.00318668/step, 3.70186 hours remaining, 236.324219 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: 818000 4032.9975 20549.3905 14509.7548 249.8087 -203773.1427 3067.7843 0.0000 0.0000 51969.1782 -109394.2287 298.6676 -161363.4069 -109021.7758 299.4869 211.3359 242.6721 761119.7727 23.6207 23.4247 PRESSURE: 818200 132.285 -69.5641 -72.9699 -69.5644 -2.91477 -4.64032 -72.9698 -4.63942 67.3726 GPRESSURE: 818200 135.304 -91.8493 -64.9244 -100.845 40.8317 -8.01479 -116.705 103.9 129.42 PRESSAVG: 818200 41.3144 -83.626 -24.455 -83.626 8.95665 -9.40325 -24.455 -9.40334 14.9471 GPRESSAVG: 818200 41.2979 -81.1596 -22.9348 -81.8633 7.90895 -5.94794 -26.3298 -11.9784 16.4024 TIMING: 818200 CPU: 2583.71, 0.00316817/step Wall: 2583.71, 0.00316817/step, 3.68019 hours remaining, 236.324219 MB of memory in use. ENERGY: 818200 3971.7464 20574.3678 14496.0425 244.3800 -203287.9454 2442.9960 0.0000 0.0000 52103.9673 -109454.4455 299.4422 -161558.4127 -109092.8404 299.2137 65.5808 101.8521 761367.8472 21.7394 21.8698 PRESSURE: 818400 -144.421 187.88 156.958 187.88 -127.556 124.252 156.958 124.252 -16.6035 GPRESSURE: 818400 -40.1022 99.1769 290.64 52.483 -135.917 121.373 184.504 157.705 -22.7357 PRESSAVG: 818400 -16.0639 -3.146 -28.6391 -3.14597 25.6181 11.5436 -28.6391 11.5436 -26.5688 GPRESSAVG: 818400 -16.8683 -3.92651 -29.3321 -4.57684 26.4514 9.47365 -24.8103 14.2498 -26.7938 TIMING: 818400 CPU: 2584.34, 0.00316531/step Wall: 2584.34, 0.00316531/step, 3.67669 hours remaining, 236.324219 MB of memory in use. ENERGY: 818400 3939.7800 20749.9894 14391.2910 232.4946 -203068.2498 2339.4943 0.0000 0.0000 51954.4180 -109460.7825 298.5828 -161415.2005 -109094.9625 299.4086 -96.1936 -66.2517 760500.4695 -5.6715 -5.7369 PRESSURE: 818600 205.61 148.599 344.273 148.6 -194.959 352.699 344.273 352.7 47.2228 GPRESSURE: 818600 183.574 146.716 262.754 67.6548 -134.998 368.115 264.838 320.861 93.7547 PRESSAVG: 818600 -15.1399 -52.5981 -5.78157 -52.5981 -17.3761 17.5005 -5.78155 17.5005 -21.188 GPRESSAVG: 818600 -12.928 -53.8424 -5.67758 -52.3974 -17.8176 19.96 -8.52909 16.2773 -22.6571 TIMING: 818600 CPU: 2584.97, 0.0031537/step Wall: 2584.97, 0.0031537/step, 3.66303 hours remaining, 236.324219 MB of memory in use. ENERGY: 818600 4039.0351 20645.5447 14432.7669 229.2691 -202765.6116 2211.2869 0.0000 0.0000 51995.2867 -109212.4222 298.8176 -161207.7089 -108855.2250 299.3548 19.2911 47.4437 760035.9617 -17.9013 -17.8009 PRESSURE: 818800 -1.68124 -64.276 -193.334 -64.2764 34.6589 116.757 -193.334 116.757 43.1713 GPRESSURE: 818800 7.21445 -151.093 -58.8702 -106.327 79.2008 88.5062 -152.744 64.1731 72.6393 PRESSAVG: 818800 19.9445 -29.3877 9.73954 -29.3877 -1.17719 -27.2898 9.73956 -27.2898 -23.9369 GPRESSAVG: 818800 19.7504 -29.534 11.3209 -28.9465 -1.85696 -27.2226 8.93214 -27.1533 -23.382 TIMING: 818800 CPU: 2585.61, 0.00317201/step Wall: 2585.61, 0.00317201/step, 3.68411 hours remaining, 236.324219 MB of memory in use. ENERGY: 818800 3999.7064 20578.7006 14439.9161 229.6206 -202794.1582 2341.9047 0.0000 0.0000 52005.8540 -109198.4559 298.8784 -161204.3099 -108832.6631 299.2019 25.3830 53.0182 761965.7316 -1.7232 -1.8295 PRESSURE: 819000 -112.205 1.93896 -13.6547 1.93855 -155.646 -85.1821 -13.6539 -85.183 -4.53666 GPRESSURE: 819000 -41.1096 15.225 -53.1273 -14.3906 -110.383 -27.7819 65.1861 -4.65763 -32.1318 PRESSAVG: 819000 2.79491 -52.9055 -10.0201 -52.9055 -16.8727 -58.4364 -10.0202 -58.4364 4.94891 GPRESSAVG: 819000 2.08255 -53.7215 -10.9205 -52.6013 -16.2602 -59.6004 -11.1546 -58.047 5.27374 TIMING: 819000 CPU: 2586.24, 0.00315867/step Wall: 2586.24, 0.00315867/step, 3.66844 hours remaining, 236.324219 MB of memory in use. ENERGY: 819000 4012.8368 20553.8402 14472.4007 252.1756 -203377.6083 2696.3631 0.0000 0.0000 52028.7194 -109361.2725 299.0098 -161389.9919 -108994.4545 299.1451 -90.7956 -61.2080 761190.2594 -3.0430 -2.9680 PRESSURE: 819200 -119.55 15.7489 -184.856 15.7491 109.441 -136.196 -184.856 -136.196 105.133 GPRESSURE: 819200 -83.4758 -197.304 -138.054 -176.38 127.107 -175.518 -200.329 -75.1896 147.864 PRESSAVG: 819200 1.5874 -49.3818 -26.0941 -49.3817 49.1832 -5.85332 -26.094 -5.8533 -9.19252 GPRESSAVG: 819200 1.71891 -49.2531 -24.5159 -48.4273 49.2941 -7.41328 -25.3253 -5.59278 -9.25504 TIMING: 819200 CPU: 2586.87, 0.0031779/step Wall: 2586.87, 0.0031779/step, 3.6906 hours remaining, 236.324219 MB of memory in use. ENERGY: 819200 4007.8057 20378.8921 14489.8019 247.6387 -203067.7036 2362.4769 0.0000 0.0000 52369.3502 -109211.7382 300.9674 -161581.0883 -108835.4768 299.7268 31.6746 63.8317 760688.2874 13.8594 13.9193 PRESSURE: 819400 340.201 -113.604 96.0578 -113.603 -97.8607 -125.819 96.0578 -125.819 410.53 GPRESSURE: 819400 355.453 -45.7284 31.6088 -53.325 29.6078 -106.588 96.0487 -56.948 348.066 PRESSAVG: 819400 8.28775 -21.7233 12.2432 -21.7232 -24.8509 -37.2787 12.2432 -37.2787 7.69002 GPRESSAVG: 819400 7.887 -18.6944 10.9598 -24.1788 -24.4602 -36.2591 12.6761 -36.1829 7.3546 TIMING: 819400 CPU: 2587.5, 0.00315741/step Wall: 2587.5, 0.00315741/step, 3.66663 hours remaining, 236.324219 MB of memory in use. ENERGY: 819400 3957.3513 20667.6202 14394.3255 220.4331 -203552.7837 2819.7447 0.0000 0.0000 52249.1913 -109244.1175 300.2768 -161493.3089 -108883.0741 299.6923 217.6234 244.3756 760110.0842 -2.9577 -3.0729 PRESSURE: 819600 413.643 -148.483 -353.591 -148.482 92.8091 -89.5847 -353.592 -89.5845 -217.27 GPRESSURE: 819600 433.803 -243.259 -249.476 -183.884 120.665 -56.9541 -220.457 22.0326 -191.167 PRESSAVG: 819600 4.23295 -28.9445 19.6147 -28.9446 -6.93105 -30.8008 19.6146 -30.8008 10.3403 GPRESSAVG: 819600 3.92778 -31.721 20.4293 -27.9486 -6.99119 -29.2594 20.5704 -31.0864 10.9242 TIMING: 819600 CPU: 2588.14, 0.00317554/step Wall: 2588.14, 0.00317554/step, 3.68751 hours remaining, 236.324219 MB of memory in use. ENERGY: 819600 3994.3110 20585.1739 14449.3419 255.6208 -203437.2650 2764.0485 0.0000 0.0000 52248.1207 -109140.6480 300.2707 -161388.7688 -108771.8743 299.6621 96.3941 121.1005 760691.0949 2.5474 2.6203 PRESSURE: 819800 6.78316 42.292 -62.5892 42.2922 -204.443 -177.45 -62.5902 -177.45 11.9179 GPRESSURE: 819800 9.21876 -18.0086 -105.095 49.9914 -141.829 -119.515 5.04216 -111.483 42.1245 PRESSAVG: 819800 24.241 -32.9655 62.4169 -32.9655 -42.1743 -52.8038 62.4169 -52.8039 -13.4759 GPRESSAVG: 819800 24.5918 -32.0199 59.8464 -34.2418 -42.4084 -53.8725 63.0024 -53.5367 -13.2859 TIMING: 819800 CPU: 2588.77, 0.00314573/step Wall: 2588.77, 0.00314573/step, 3.65271 hours remaining, 236.324219 MB of memory in use. ENERGY: 819800 3977.4349 20613.9510 14485.7248 239.8915 -202896.2427 2302.5770 0.0000 0.0000 52049.5990 -109227.0645 299.1298 -161276.6635 -108865.8105 300.1830 -61.9139 -30.1618 762512.0919 -10.4697 -10.3675 PRESSURE: 820000 -239.04 4.08653 9.78613 4.08625 -52.443 -156.78 9.78727 -156.779 -142.565 GPRESSURE: 820000 -314.344 53.4849 12.8289 112.694 27.9332 -149.415 55.7959 -160.858 -78.222 PRESSAVG: 820000 50.4087 -22.2124 -19.8391 -22.2124 -54.3277 -61.9555 -19.8391 -61.9555 -2.74358 GPRESSAVG: 820000 50.765 -21.2295 -18.1591 -22.6106 -53.692 -62.4839 -19.2956 -61.6378 -3.82392 TIMING: 820000 CPU: 2589.4, 0.00315826/step Wall: 2589.4, 0.00315826/step, 3.66709 hours remaining, 236.324219 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: 820000 3966.8821 20741.5703 14427.3364 241.0716 -202856.6433 2366.6546 0.0000 0.0000 51717.1907 -109395.9377 297.2194 -161113.1284 -109048.6945 299.3427 -144.6827 -121.5441 764048.2776 -2.2209 -2.2503 PRESSURE: 820200 181.535 70.6511 1.76017 70.6514 86.8472 108.776 1.76021 108.777 -234.169 GPRESSURE: 820200 184.965 102.637 -20.9481 61.2158 79.6647 57.2681 59.6771 50.1914 -149.329 PRESSAVG: 820200 4.42246 59.1761 -32.4527 59.176 2.7399 -22.4272 -32.4527 -22.4271 3.55267 GPRESSAVG: 820200 3.87379 56.9311 -31.5253 60.2743 1.38347 -22.8702 -36.7861 -25.3213 5.08995 TIMING: 820200 CPU: 2590.03, 0.00316112/step Wall: 2590.03, 0.00316112/step, 3.67023 hours remaining, 236.324219 MB of memory in use. ENERGY: 820200 3949.0526 20677.8976 14501.1847 272.3082 -203520.2616 2778.7165 0.0000 0.0000 52025.3893 -109315.7126 298.9906 -161341.1020 -108960.9794 299.3225 11.4043 38.4336 762086.5895 3.5717 3.4491 LDB: ============= START OF LOAD BALANCING ============== 2602.49 LDB: ============== END OF LOAD BALANCING =============== 2602.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.49 LDB: ============= START OF LOAD BALANCING ============== 2602.81 LDB: Largest compute 7025 load 0.036893 is 18.9% of average load 0.195094 LDB: Average compute 0.004402 is 2.3% of average load 0.195094 LDB: TIME 2602.81 LOAD: AVG 0.195094 MAX 0.212057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.066 MB LDB: TIME 2602.81 LOAD: AVG 0.195094 MAX 0.212057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: TIME 2602.81 LOAD: AVG 0.195094 MAX 0.212057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.27 MB LDB: ============== END OF LOAD BALANCING =============== 2602.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.82 PRESSURE: 820400 158.335 157.189 -246.649 157.189 -248.98 34.7361 -246.65 34.7347 99.7647 GPRESSURE: 820400 166.859 139.832 -258.683 87.1171 -174.255 64.5532 -257.339 29.0039 97.6039 PRESSAVG: 820400 2.20429 24.4216 -30.8481 24.4217 4.44685 -37.5391 -30.848 -37.5391 21.1805 GPRESSAVG: 820400 3.03444 25.2674 -31.9484 24.9238 4.61464 -35.8447 -27.4858 -35.6972 20.3872 TIMING: 820400 CPU: 2590.68, 0.00323584/step Wall: 2590.68, 0.00323584/step, 3.75681 hours remaining, 237.867188 MB of memory in use. ENERGY: 820400 4030.7924 20618.9081 14500.4118 265.8991 -203340.8013 2589.6572 0.0000 0.0000 52132.1973 -109202.9354 299.6045 -161335.1327 -108843.3232 299.7869 3.0401 30.0693 761306.2472 9.2772 9.3454 PRESSURE: 820600 -114.266 -91.6715 23.9127 -91.6725 -323.978 64.7754 23.9123 64.7759 -313.356 GPRESSURE: 820600 -177.597 -83.2734 -67.3507 19.363 -240.125 75.4078 95.9711 240.693 -255.697 PRESSAVG: 820600 4.65858 39.4634 -62.3672 39.4634 -11.4031 -22.38 -62.3672 -22.3801 -0.819283 GPRESSAVG: 820600 4.42503 39.1108 -61.6273 39.3453 -9.50584 -23.0025 -62.8887 -19.2729 -2.70926 TIMING: 820600 CPU: 2591.32, 0.00319994/step Wall: 2591.32, 0.00319994/step, 3.71496 hours remaining, 237.867188 MB of memory in use. ENERGY: 820600 4010.4340 20368.4198 14467.1744 248.6415 -202993.7968 2237.3917 0.0000 0.0000 52402.7163 -109259.0191 301.1591 -161661.7354 -108891.9679 299.8431 -250.5337 -224.4731 762123.6931 -2.5213 -2.5967 PRESSURE: 820800 137.118 -16.3916 -62.4807 -16.3925 -24.8994 -103.42 -62.481 -103.42 -184.169 GPRESSURE: 820800 234.743 -116.58 4.40996 -2.51165 54.7404 -86.7651 89.652 -11.8095 -264.68 PRESSAVG: 820800 13.7731 47.1905 -13.1123 47.1905 32.8846 -9.99956 -13.1123 -9.99952 -19.2354 GPRESSAVG: 820800 12.3493 48.3756 -11.4877 45.2851 32.265 -12.4085 -13.9211 -9.73374 -17.4459 TIMING: 820800 CPU: 2591.96, 0.00318259/step Wall: 2591.96, 0.00318259/step, 3.69464 hours remaining, 237.867188 MB of memory in use. ENERGY: 820800 4020.0054 20540.8154 14364.7428 237.6703 -202932.2475 2354.9340 0.0000 0.0000 52183.8151 -109230.2646 299.9011 -161414.0797 -108866.4054 299.5671 -23.9834 8.2678 761739.3845 9.1408 9.0561 PRESSURE: 821000 39.8414 214.653 -32.4059 214.652 130.591 106.157 -32.406 106.156 -180.009 GPRESSURE: 821000 89.7039 240.181 -54.84 69.2773 144.198 28.5895 -73.7636 171.891 -164.998 PRESSAVG: 821000 22.4393 5.79373 -35.5166 5.79377 -17.7867 9.0969 -35.5166 9.09681 9.4281 GPRESSAVG: 821000 24.0625 4.95034 -36.7009 7.72338 -18.2076 10.3446 -34.6408 8.7447 8.52096 TIMING: 821000 CPU: 2592.59, 0.00318233/step Wall: 2592.59, 0.00318233/step, 3.69416 hours remaining, 237.867188 MB of memory in use. ENERGY: 821000 4023.5347 20678.7230 14460.4354 256.5997 -203207.2807 2472.7015 0.0000 0.0000 51854.4154 -109460.8710 298.0080 -161315.2864 -109114.7568 299.2966 -3.1923 22.9679 760874.8443 4.6936 4.7919 PRESSURE: 821200 -42.2456 -5.5462 -85.3228 -5.54671 131.42 67.9977 -85.3225 67.9985 57.0311 GPRESSURE: 821200 -125.764 -64.1586 -196.328 -1.36059 253.922 110.627 -128.255 132.886 98.446 PRESSAVG: 821200 9.60277 -6.06623 -34.8673 -6.06621 1.49631 -46.6466 -34.8672 -46.6466 10.7445 GPRESSAVG: 821200 8.87225 -4.32656 -35.9425 -8.76684 1.14087 -45.0496 -35.2872 -48.3979 11.722 TIMING: 821200 CPU: 2593.23, 0.00318201/step Wall: 2593.23, 0.00318201/step, 3.6936 hours remaining, 237.867188 MB of memory in use. ENERGY: 821200 4038.9176 20424.3394 14526.6767 248.7929 -203931.5108 2871.6580 0.0000 0.0000 52236.5820 -109584.5442 300.2044 -161821.1261 -109224.3779 299.1879 48.7352 75.5348 760423.1578 7.2812 7.2450 PRESSURE: 821400 42.4624 -93.6364 -163.544 -93.6372 45.5913 -170.937 -163.543 -170.938 30.3145 GPRESSURE: 821400 117.754 -161.065 -120.653 -135.917 58.7813 -195.984 -130.85 -83.2907 13.8625 PRESSAVG: 821400 -22.5818 -48.3803 0.0841331 -48.3803 41.6396 -48.2486 0.0841076 -48.2487 -12.7579 GPRESSAVG: 821400 -23.2344 -47.2106 0.826916 -48.7559 41.9885 -48.091 -0.0178762 -48.4314 -12.4241 TIMING: 821400 CPU: 2593.87, 0.00318119/step Wall: 2593.87, 0.00318119/step, 3.69248 hours remaining, 237.867188 MB of memory in use. ENERGY: 821400 3970.2312 20748.6594 14392.6117 238.9843 -203129.4363 2481.4784 0.0000 0.0000 51946.7822 -109350.6890 298.5389 -161297.4713 -108987.3058 299.2962 39.4561 63.4660 762656.0264 2.1000 2.1100 PRESSURE: 821600 -90.6658 -223.118 -47.1866 -223.117 -287.484 -162.36 -47.187 -162.36 -131.647 GPRESSURE: 821600 -45.4853 -240.909 -111.957 -130.599 -243.934 -192.821 -69.4145 -92.2262 -121.896 PRESSAVG: 821600 -34.2939 -70.5896 -33.4629 -70.5896 31.299 -56.2032 -33.4629 -56.2033 4.94884 GPRESSAVG: 821600 -33.551 -73.152 -33.9504 -67.1913 31.2178 -57.3904 -34.3992 -55.4136 4.18038 TIMING: 821600 CPU: 2594.5, 0.00316698/step Wall: 2594.5, 0.00316698/step, 3.6758 hours remaining, 237.867188 MB of memory in use. ENERGY: 821600 3917.7066 20596.8131 14534.3718 243.7769 -203247.5134 2595.2466 0.0000 0.0000 52130.5044 -109229.0941 299.5947 -161359.5984 -108863.0711 299.1356 -169.9322 -137.1053 761567.8638 0.6513 0.6157 PRESSURE: 821800 -58.7617 -159.37 -192.219 -159.37 5.55999 -98.3789 -192.219 -98.3801 42.5715 GPRESSURE: 821800 82.821 -323.19 -196.154 -211.094 -54.8448 -149.554 -202.89 -109.028 27.553 PRESSAVG: 821800 26.8334 -52.6769 -27.1909 -52.6768 44.0435 -102.929 -27.191 -102.929 -34.4701 GPRESSAVG: 821800 27.5178 -51.4931 -27.0819 -55.8042 41.4989 -102.477 -25.8138 -103.403 -32.8375 TIMING: 821800 CPU: 2595.13, 0.00316378/step Wall: 2595.13, 0.00316378/step, 3.67191 hours remaining, 237.867188 MB of memory in use. ENERGY: 821800 4064.4522 20721.0689 14395.2854 251.3551 -203409.1695 2749.6552 0.0000 0.0000 52005.5038 -109221.8487 298.8763 -161227.3525 -108874.7672 299.7646 -3.5434 18.5097 761676.0339 12.1356 12.0597 PRESSURE: 822000 444.428 57.9201 239.911 57.9214 -201.175 6.35731 239.911 6.35578 -212.53 GPRESSURE: 822000 356.086 -69.8819 273.762 46.3399 -94.4465 30.6933 185.184 -14.1604 -158.878 PRESSAVG: 822000 28.6296 -38.2752 -7.02566 -38.2751 -52.6221 -59.1334 -7.02568 -59.1334 14.9219 GPRESSAVG: 822000 28.5867 -40.1128 -6.18655 -36.4316 -50.581 -59.7654 -8.81016 -59.8214 13.2159 TIMING: 822000 CPU: 2595.76, 0.0031633/step Wall: 2595.76, 0.0031633/step, 3.67119 hours remaining, 237.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 3970.9824 20637.1686 14485.0338 250.7260 -203223.6312 2643.0686 0.0000 0.0000 52029.8050 -109206.8468 299.0160 -161236.6518 -108849.3005 299.9534 10.2412 34.2538 762481.6226 -3.0235 -2.9261 PRESSURE: 822200 93.5805 -181.113 -71.0717 -181.113 -157.672 111.333 -71.0718 111.333 144.115 GPRESSURE: 822200 123.549 -203.776 -108.907 -8.28152 -12.7817 149.56 -24.6798 20.2587 80.8855 PRESSAVG: 822200 57.6799 -26.976 -47.6373 -26.9761 -65.8031 -41.689 -47.6372 -41.689 5.34299 GPRESSAVG: 822200 56.8743 -26.6534 -47.9154 -25.8676 -64.9862 -39.7524 -48.4095 -40.861 5.45962 TIMING: 822200 CPU: 2596.39, 0.00315173/step Wall: 2596.39, 0.00315173/step, 3.65759 hours remaining, 237.867188 MB of memory in use. ENERGY: 822200 3984.9675 20414.8787 14527.1391 249.1678 -203215.3280 2716.7451 0.0000 0.0000 52105.2924 -109217.1374 299.4498 -161322.4298 -108855.8857 299.8057 26.6745 63.8842 761501.4214 -0.9267 -0.8841 PRESSURE: 822400 -41.894 36.5631 -24.6797 36.5637 -154.207 -47.9255 -24.6795 -47.9246 44.5605 GPRESSURE: 822400 -11.3026 15.9122 -63.9108 35.5829 -5.99507 -106.851 -1.82139 -78.7097 -39.3767 PRESSAVG: 822400 48.1448 -69.9941 -40.6247 -69.9941 -38.9028 -20.4413 -40.6247 -20.4413 -26.833 GPRESSAVG: 822400 50.1087 -69.8863 -40.4431 -69.8452 -40.9074 -22.3893 -38.5131 -19.7744 -26.7942 TIMING: 822400 CPU: 2597.03, 0.00316263/step Wall: 2597.03, 0.00316263/step, 3.67005 hours remaining, 237.867188 MB of memory in use. ENERGY: 822400 3937.5858 20423.3317 14462.1696 245.1549 -203050.7494 2666.7797 0.0000 0.0000 51764.5330 -109551.1947 297.4915 -161315.7277 -109189.7706 299.4739 -50.5134 -18.8915 761929.7179 -5.8637 -5.8643 PRESSURE: 822600 -476.77 -125.44 -56.7208 -125.44 -292.374 61.1279 -56.7212 61.1285 -116.326 GPRESSURE: 822600 -327.799 -42.6388 17.7354 -155.999 -348.614 109.301 87.7969 57.1378 -127.919 PRESSAVG: 822600 13.6685 -35.4661 -27.223 -35.4661 -13.3179 22.8092 -27.2231 22.8092 7.19396 GPRESSAVG: 822600 12.0149 -35.6266 -27.9986 -36.8716 -12.6903 23.8499 -26.6254 22.1754 8.03555 TIMING: 822600 CPU: 2597.67, 0.00319763/step Wall: 2597.67, 0.00319763/step, 3.7105 hours remaining, 237.867188 MB of memory in use. ENERGY: 822600 4024.9266 20637.3647 14519.5966 238.3261 -203190.0677 2429.0891 0.0000 0.0000 51969.4965 -109371.2682 298.6694 -161340.7647 -109010.7903 299.3361 -295.1567 -268.1106 761357.5531 2.5148 2.4534 PRESSURE: 822800 -56.7428 -196.187 -146.964 -196.187 -17.8794 193.435 -146.964 193.435 58.4275 GPRESSURE: 822800 -128.669 -168.212 -131.608 -41.2528 16.445 233.732 -297.107 216.351 198.626 PRESSAVG: 822800 60.067 -62.6233 -53.7521 -62.6232 -32.4508 -35.5232 -53.752 -35.5232 8.26901 GPRESSAVG: 822800 60.669 -60.7843 -56.3127 -61.2279 -33.2686 -35.6757 -52.85 -36.3807 8.15855 TIMING: 822800 CPU: 2598.3, 0.0031544/step Wall: 2598.3, 0.0031544/step, 3.66015 hours remaining, 237.867188 MB of memory in use. ENERGY: 822800 3983.0246 20416.3759 14458.2281 254.0915 -203683.2618 2787.4957 0.0000 0.0000 52481.0791 -109302.9668 301.6095 -161784.0459 -108935.7246 299.5325 -5.3982 28.8008 760653.2449 11.9618 11.8530 PRESSURE: 823000 -97.1283 -3.7651 -385.172 -3.7653 -104.321 -45.9196 -385.171 -45.9202 -40.9852 GPRESSURE: 823000 -39.6172 -20.7994 -335.353 -71.0274 -98.5124 -22.9779 -285.064 -94.549 -21.4049 PRESSAVG: 823000 55.0348 -5.61434 -32.9284 -5.61437 -22.4569 -14.918 -32.9284 -14.918 3.87052 GPRESSAVG: 823000 55.126 -6.37037 -30.9477 -6.65313 -23.1636 -14.6834 -33.4483 -14.5256 4.25765 TIMING: 823000 CPU: 2598.93, 0.00316673/step Wall: 2598.93, 0.00316673/step, 3.67428 hours remaining, 237.867188 MB of memory in use. ENERGY: 823000 4000.1517 20474.0709 14457.1717 238.2794 -203607.3247 2716.7620 0.0000 0.0000 52159.3295 -109561.5594 299.7604 -161720.8889 -109194.7682 299.6030 -80.8115 -53.1782 761234.0662 12.1495 12.0733 PRESSURE: 823200 -265.529 215.87 -198.284 215.869 -208.254 -138.091 -198.284 -138.091 208.62 GPRESSURE: 823200 -105.005 233.596 -282.575 121.347 -143.754 -123.606 -161.07 -161.599 83.5101 PRESSAVG: 823200 -16.5493 1.37681 -26.5854 1.37685 20.5376 15.1455 -26.5854 15.1455 17.4797 GPRESSAVG: 823200 -16.9905 1.38482 -25.0068 1.09196 21.8906 13.2041 -26.479 16.354 16.6529 TIMING: 823200 CPU: 2599.56, 0.00316442/step Wall: 2599.56, 0.00316442/step, 3.67143 hours remaining, 237.867188 MB of memory in use. ENERGY: 823200 4044.9144 20470.0361 14451.5354 233.2344 -203732.2724 2645.9208 0.0000 0.0000 52329.5794 -109557.0519 300.7388 -161886.6313 -109185.4212 299.4944 -88.3876 -55.0829 759662.1457 7.1560 7.1844 PRESSURE: 823400 -17.487 111.795 -91.6931 111.795 240.198 -196.275 -91.6938 -196.275 192.366 GPRESSURE: 823400 49.7943 101.156 -122.581 101.369 217.807 -261.576 -75.4731 -120.563 232.995 PRESSAVG: 823400 -5.376 -0.904632 12.1055 -0.904623 -29.2382 32.9824 12.1054 32.9825 25.5895 GPRESSAVG: 823400 -4.33226 -2.09404 10.2889 -1.14193 -29.5059 34.4176 11.1657 30.7572 24.8733 TIMING: 823400 CPU: 2600.2, 0.00317949/step Wall: 2600.2, 0.00317949/step, 3.68873 hours remaining, 237.867188 MB of memory in use. ENERGY: 823400 4016.8898 20512.0386 14434.6505 259.6767 -203621.9118 2650.3088 0.0000 0.0000 52413.0554 -109335.2919 301.2186 -161748.3474 -108977.4234 299.3375 138.3588 166.8653 759744.5435 -3.0082 -2.9883 PRESSURE: 823600 -67.5401 109.163 53.4391 109.163 -398.747 -179.207 53.4397 -179.208 -80.2303 GPRESSURE: 823600 -109.63 110.762 37.7781 169.92 -278.55 -188.885 -65.1476 -110.507 -66.0116 PRESSAVG: 823600 -6.72068 -43.6534 -28.1772 -43.6535 19.1222 14.4206 -28.1773 14.4206 -21.7512 GPRESSAVG: 823600 -6.82321 -40.2621 -27.6791 -44.9397 19.6914 14.5355 -28.5587 15.9862 -22.0191 TIMING: 823600 CPU: 2600.83, 0.00316152/step Wall: 2600.83, 0.00316152/step, 3.66772 hours remaining, 237.867188 MB of memory in use. ENERGY: 823600 3927.2949 20394.3714 14448.5285 239.6044 -203172.8395 2447.2167 0.0000 0.0000 52393.7240 -109322.0996 301.1075 -161715.8235 -108945.2505 299.7784 -182.1726 -151.3973 761157.0589 -3.1166 -3.0503 PRESSURE: 823800 74.5005 -35.699 31.0465 -35.6985 408.837 -4.35747 31.0469 -4.35882 -32.9568 GPRESSURE: 823800 150.599 -19.2727 -21.8753 11.6955 377.043 -53.4921 96.2746 87.334 1.11169 PRESSAVG: 823800 -3.41884 -61.0958 -29.7048 -61.0958 -5.59827 -7.50976 -29.7048 -7.50979 12.7213 GPRESSAVG: 823800 -3.94016 -63.2915 -29.1551 -60.4562 -6.05223 -7.87791 -30.3326 -8.17463 13.5138 TIMING: 823800 CPU: 2601.47, 0.00317787/step Wall: 2601.47, 0.00317787/step, 3.6865 hours remaining, 237.867188 MB of memory in use. ENERGY: 823800 3975.4362 20489.3665 14397.1734 254.1254 -203394.6412 2696.0302 0.0000 0.0000 52084.9934 -109497.5160 299.3332 -161582.5095 -109138.5089 299.3218 150.1268 176.2513 760424.8604 1.2347 1.1738 PRESSURE: 824000 59.134 -82.4916 -526.445 -82.4916 19.5497 -25.1369 -526.445 -25.1368 -52.4115 GPRESSURE: 824000 153.66 -25.4407 -422.44 33.2998 33.1842 -86.5387 -537.054 -41.9702 -78.8298 PRESSAVG: 824000 29.7137 -35.7875 -9.42147 -35.7874 -57.0933 8.9494 -9.4215 8.94944 -17.8445 GPRESSAVG: 824000 29.7215 -36.5775 -11.1796 -35.1458 -57.1675 9.33862 -7.09085 7.8949 -17.3825 TIMING: 824000 CPU: 2602.1, 0.00315734/step Wall: 2602.1, 0.00315734/step, 3.66251 hours remaining, 237.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 4071.2320 20491.6071 14478.5046 244.4722 -203340.3424 2564.9606 0.0000 0.0000 51933.3005 -109556.2655 298.4614 -161489.5661 -109205.2928 298.8977 8.7574 36.0048 761343.9984 -15.0747 -14.9429 PRESSURE: 824200 -92.1817 17.1995 -34.5934 17.1994 58.4041 40.709 -34.5938 40.708 -152.945 GPRESSURE: 824200 -57.3621 -6.82747 -28.7224 -30.1615 108.687 -51.9626 -99.6641 36.6256 -153.055 PRESSAVG: 824200 24.3903 -45.4744 -37.5068 -45.4745 5.13818 -59.7882 -37.5068 -59.7882 0.827059 GPRESSAVG: 824200 26.1894 -46.4679 -36.697 -44.1847 4.7583 -60.5663 -40.165 -58.6034 -0.278926 TIMING: 824200 CPU: 2602.73, 0.00316334/step Wall: 2602.73, 0.00316334/step, 3.6693 hours remaining, 237.867188 MB of memory in use. ENERGY: 824200 3953.2584 20505.3076 14395.2210 273.3260 -203409.9480 2518.7611 0.0000 0.0000 52323.1036 -109440.9704 300.7016 -161764.0739 -109082.5049 299.2237 -62.2407 -33.9099 762221.6953 10.1185 10.2229 LDB: ============= START OF LOAD BALANCING ============== 2615.19 LDB: ============== END OF LOAD BALANCING =============== 2615.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2615.19 LDB: ============= START OF LOAD BALANCING ============== 2615.51 LDB: Largest compute 7073 load 0.038132 is 19.5% of average load 0.195057 LDB: Average compute 0.004373 is 2.2% of average load 0.195057 LDB: TIME 2615.51 LOAD: AVG 0.195057 MAX 0.214074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.488 MB LDB: TIME 2615.51 LOAD: AVG 0.195057 MAX 0.214074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.488 MB LDB: TIME 2615.51 LOAD: AVG 0.195057 MAX 0.214074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.488 MB LDB: ============== END OF LOAD BALANCING =============== 2615.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2615.52 PRESSURE: 824400 -186.385 -31.6812 52.624 -31.6811 159.335 175.138 52.6242 175.139 -32.2439 GPRESSURE: 824400 0.738025 -52.0305 -36.9718 -4.0648 60.8288 179.086 49.9838 195.796 -31.9349 PRESSAVG: 824400 -7.31895 -15.665 -27.8157 -15.6651 -37.3622 -7.37665 -27.8157 -7.37659 -0.994074 GPRESSAVG: 824400 -7.43327 -14.4986 -27.6107 -14.8931 -37.7599 -7.68336 -26.1344 -5.30698 -0.713538 TIMING: 824400 CPU: 2603.38, 0.00324355/step Wall: 2603.38, 0.00324355/step, 3.76216 hours remaining, 237.234375 MB of memory in use. ENERGY: 824400 4008.8919 20313.0977 14426.6654 257.0683 -203312.8415 2596.1068 0.0000 0.0000 52072.0346 -109638.9768 299.2587 -161711.0115 -109282.8889 299.0772 -19.7647 9.8773 761802.8785 -15.2251 -15.3022 PRESSURE: 824600 -203.793 109.347 -73.6229 109.346 38.9687 278.935 -73.623 278.935 -15.8831 GPRESSURE: 824600 -215.653 188.024 -110.722 31.5988 49.01 180.417 -15.766 294.822 88.118 PRESSAVG: 824600 0.449783 29.6865 -37.828 29.6864 -1.75282 -32.9662 -37.8281 -32.9661 15.7936 GPRESSAVG: 824600 -1.58921 28.3689 -35.5844 28.674 -0.529767 -30.9664 -38.1625 -35.6819 16.9364 TIMING: 824600 CPU: 2604.02, 0.00317647/step Wall: 2604.02, 0.00317647/step, 3.68417 hours remaining, 237.437500 MB of memory in use. ENERGY: 824600 4018.1256 20502.6154 14516.7204 237.5320 -202972.4018 2077.9055 0.0000 0.0000 51853.3003 -109766.2026 298.0016 -161619.5029 -109412.4877 298.5731 -60.2357 -26.1751 759962.5897 4.8302 4.9391 PRESSURE: 824800 50.963 235.861 44.8851 235.861 71.0474 -96.8439 44.8844 -96.8444 113.141 GPRESSURE: 824800 113.261 80.3991 -65.8719 252.372 100.554 -118.464 17.5347 -53.6537 106.801 PRESSAVG: 824800 7.15203 50.503 -37.7316 50.503 -47.7557 47.3295 -37.7316 47.3296 -15.2653 GPRESSAVG: 824800 9.19637 52.718 -40.7187 48.7475 -49.3086 47.0518 -38.6549 47.7767 -16.1141 TIMING: 824800 CPU: 2604.65, 0.00317169/step Wall: 2604.65, 0.00317169/step, 3.67845 hours remaining, 237.437500 MB of memory in use. ENERGY: 824800 3975.9021 20272.2353 14450.1629 256.5214 -203059.5633 2407.0990 0.0000 0.0000 51979.7054 -109717.9372 298.7281 -161697.6426 -109355.4397 297.9701 78.3838 106.8720 761690.5344 -18.6230 -18.7421 PRESSURE: 825000 -228.031 -137.635 -222.109 -137.636 181.922 50.6176 -222.108 50.6171 391.019 GPRESSURE: 825000 -127.699 -109.248 -245.302 -151.239 198.751 -5.84944 -244.858 -3.35986 383.296 PRESSAVG: 825000 54.4301 9.07492 -34.8501 9.07491 -48.5763 9.69548 -34.8501 9.69548 9.14482 GPRESSAVG: 825000 53.2026 8.86956 -33.4777 9.51318 -47.5164 8.66717 -35.7378 10.9588 9.1877 TIMING: 825000 CPU: 2605.28, 0.00314748/step Wall: 2605.28, 0.00314748/step, 3.6502 hours remaining, 237.425781 MB of memory in use. ENERGY: 825000 3923.7202 20284.5578 14487.3762 240.7192 -202834.1109 2218.4331 0.0000 0.0000 51924.8251 -109754.4794 298.4127 -161679.3045 -109392.8745 298.2247 114.9700 151.4490 761299.8404 4.9996 4.9579 PRESSURE: 825200 -187.203 92.6763 296.421 92.676 -367.366 75.1928 296.42 75.1945 195.353 GPRESSURE: 825200 -181.447 43.5397 322.37 51.6437 -266.079 1.55989 263.24 16.8999 163.351 PRESSAVG: 825200 -12.2565 9.6095 34.4818 9.60953 14.5601 20.4054 34.4818 20.4055 -22.0124 GPRESSAVG: 825200 -12.5816 8.09049 33.2462 9.96217 15.089 19.3841 35.6831 20.8317 -21.4136 TIMING: 825200 CPU: 2605.91, 0.00315128/step Wall: 2605.91, 0.00315128/step, 3.65443 hours remaining, 237.503906 MB of memory in use. ENERGY: 825200 4017.7373 20337.4313 14444.2085 243.4940 -203190.7157 2278.9695 0.0000 0.0000 52313.0215 -109555.8537 300.6437 -161868.8751 -109185.0518 298.6239 -119.7390 -94.7250 761499.0731 -6.5696 -6.3021 PRESSURE: 825400 -173.133 156.784 142.356 156.784 103.246 -66.4305 142.355 -66.4314 40.8466 GPRESSURE: 825400 -75.098 120.86 80.7785 83.7676 158.504 3.64153 95.3414 -26.708 -23.5954 PRESSAVG: 825400 -2.24205 -12.9769 -0.266664 -12.9768 -61.1644 -5.2586 -0.266657 -5.25855 12.7873 GPRESSAVG: 825400 -1.38278 -12.8959 0.317508 -13.3447 -61.1969 -4.33312 -1.23601 -5.8319 11.5283 TIMING: 825400 CPU: 2606.54, 0.003147/step Wall: 2606.54, 0.003147/step, 3.6493 hours remaining, 237.503906 MB of memory in use. ENERGY: 825400 3971.0567 20517.1851 14482.8180 268.8573 -203697.7753 2780.8126 0.0000 0.0000 52010.8622 -109666.1835 298.9071 -161677.0457 -109305.8481 299.2295 -9.6801 19.9368 760899.3248 -16.8730 -17.0171 PRESSURE: 825600 275.894 -41.2352 -42.0685 -41.2352 -337.684 38.6044 -42.0692 38.6049 131.347 GPRESSURE: 825600 341.04 -92.364 69.3239 21.4948 -271.891 -32.4835 -105.097 79.7396 96.2555 PRESSAVG: 825600 59.413 -17.6957 -35.9425 -17.6957 -100.842 -46.6566 -35.9425 -46.6566 4.80914 GPRESSAVG: 825600 59.5682 -18.4852 -35.7469 -15.9202 -100.377 -46.8437 -34.9634 -47.6199 4.09054 TIMING: 825600 CPU: 2607.17, 0.00316989/step Wall: 2607.17, 0.00316989/step, 3.67567 hours remaining, 237.503906 MB of memory in use. ENERGY: 825600 4040.8023 20385.4963 14539.1598 252.7678 -203491.4506 2642.0819 0.0000 0.0000 51911.3263 -109719.8162 298.3351 -161631.1425 -109357.4861 298.4960 23.1858 55.1350 761248.3696 -12.2065 -12.2394 PRESSURE: 825800 -92.2693 52.2985 105.718 52.2989 192.238 20.8954 105.72 20.8952 -168.168 GPRESSURE: 825800 -150.14 122.935 41.4656 78.2501 267.096 52.9768 87.3757 -75.9287 -98.8726 PRESSAVG: 825800 8.20413 -13.1007 -101.64 -13.1007 -10.9641 -39.2057 -101.64 -39.2056 7.57462 GPRESSAVG: 825800 7.11619 -10.6489 -101.354 -12.5431 -11.4156 -37.9114 -102.808 -39.7316 8.78091 TIMING: 825800 CPU: 2607.81, 0.00318885/step Wall: 2607.81, 0.00318885/step, 3.69747 hours remaining, 237.503906 MB of memory in use. ENERGY: 825800 4004.3149 20557.5374 14457.5064 227.4980 -203576.0456 2630.5521 0.0000 0.0000 51885.1980 -109813.4388 298.1849 -161698.6368 -109454.0883 298.6569 -22.7329 6.0276 760037.8482 1.6049 1.4938 PRESSURE: 826000 333.465 104.501 -162.367 104.502 263.38 -192.669 -162.367 -192.67 -149.189 GPRESSURE: 826000 302.126 109.899 -96.7958 66.9139 372.564 -104.114 -138.815 -187.668 -127.428 PRESSAVG: 826000 -12.1665 -17.3631 -16.3234 -17.3631 -1.72332 -11.8898 -16.3234 -11.8898 7.65848 GPRESSAVG: 826000 -11.7748 -19.2047 -15.9827 -18.4662 -1.85013 -11.9205 -14.8914 -12.5673 7.49514 TIMING: 826000 CPU: 2608.45, 0.00318212/step Wall: 2608.45, 0.00318212/step, 3.68949 hours remaining, 237.503906 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: 826000 3954.4640 20552.5620 14474.5345 261.7118 -203514.0351 2561.8884 0.0000 0.0000 52123.4171 -109585.4573 299.5540 -161708.8744 -109224.5724 298.6513 149.2186 182.4208 760833.8991 -2.0771 -2.0433 PRESSURE: 826200 3.14921 5.26153 -91.5349 5.2618 -113.237 -206.067 -91.5347 -206.066 -162.559 GPRESSURE: 826200 2.77421 -118.92 -21.4075 -123.692 -56.898 -120.834 -151.726 -173.172 -146.233 PRESSAVG: 826200 2.21202 19.2299 -36.5002 19.2299 -7.71864 -36.1811 -36.5003 -36.1811 20.5559 GPRESSAVG: 826200 1.54337 19.0593 -37.0099 19.1998 -7.01615 -36.4754 -37.771 -34.0061 20.8795 TIMING: 826200 CPU: 2609.08, 0.00318258/step Wall: 2609.08, 0.00318258/step, 3.68985 hours remaining, 237.503906 MB of memory in use. ENERGY: 826200 3974.8929 20465.9442 14534.3407 241.7199 -202682.1355 2280.0797 0.0000 0.0000 51884.9606 -109300.1977 298.1836 -161185.1583 -108937.7373 299.0479 -90.8826 -66.7856 763471.6447 5.0164 5.1356 PRESSURE: 826400 -397.558 99.0569 -8.40578 99.057 7.51738 56.6499 -8.40514 56.6492 -224.81 GPRESSURE: 826400 -381.532 136.128 -3.42458 56.1996 73.6557 21.1564 49.9076 15.6023 -203.337 PRESSAVG: 826400 -27.5499 5.56178 5.33694 5.56192 2.7671 -5.96446 5.33695 -5.96441 1.76951 GPRESSAVG: 826400 -26.1082 6.31345 3.96325 6.0432 1.71037 -6.66295 6.36213 -5.69635 1.28333 TIMING: 826400 CPU: 2609.72, 0.00318473/step Wall: 2609.72, 0.00318473/step, 3.69216 hours remaining, 237.503906 MB of memory in use. ENERGY: 826400 4045.7537 20547.1742 14493.5812 241.7877 -203008.9603 2517.5045 0.0000 0.0000 52088.3950 -109074.7639 299.3527 -161163.1590 -108719.8319 299.4956 -204.9504 -170.4044 762443.4782 -7.6711 -7.7048 PRESSURE: 826600 14.1047 -77.5166 -118.594 -77.5166 -103.145 16.9883 -118.594 16.9883 303.872 GPRESSURE: 826600 34.4233 -35.5912 -85.8283 -257.89 -74.0928 -41.0274 -109.328 -156.495 347.556 PRESSAVG: 826600 23.4832 -3.25607 -22.297 -3.25602 1.53251 -5.44566 -22.297 -5.44565 -11.075 GPRESSAVG: 826600 22.7679 -3.16782 -19.8481 -4.95451 2.16267 -5.70304 -23.0966 -7.54951 -10.7275 TIMING: 826600 CPU: 2610.36, 0.0032089/step Wall: 2610.36, 0.0032089/step, 3.72001 hours remaining, 237.503906 MB of memory in use. ENERGY: 826600 4023.4208 20425.9821 14535.9513 237.6557 -203076.4454 2680.8342 0.0000 0.0000 52159.7863 -109012.8150 299.7630 -161172.6013 -108647.8155 300.0565 71.6105 102.6289 761676.4793 4.6469 4.7344 PRESSURE: 826800 -49.71 -192.892 123.972 -192.892 -90.468 95.0621 123.972 95.0627 64.1003 GPRESSURE: 826800 -19.8099 -267.003 62.7362 -112.249 -14.7482 152.089 169.771 44.5187 46.1327 PRESSAVG: 826800 -6.21842 14.9833 -57.2586 14.9833 1.71507 -7.27803 -57.2587 -7.27813 25.406 GPRESSAVG: 826800 -5.32272 13.2399 -58.0863 15.9137 2.09783 -7.49983 -57.9244 -4.88543 24.817 TIMING: 826800 CPU: 2611, 0.00318098/step Wall: 2611, 0.00318098/step, 3.68746 hours remaining, 237.503906 MB of memory in use. ENERGY: 826800 3979.5705 20339.0857 14499.8609 241.6686 -202776.8468 2574.3498 0.0000 0.0000 52008.9431 -109133.3682 298.8961 -161142.3113 -108769.8849 299.5434 -25.3592 3.8582 761274.1780 6.9675 7.1974 PRESSURE: 827000 62.9549 226.04 63.4821 226.04 40.224 54.4232 63.4826 54.4224 -25.7079 GPRESSURE: 827000 214.698 109.945 55.3083 27.4185 -28.158 96.1356 34.0134 -65.0568 -45.1943 PRESSAVG: 827000 -7.50746 -29.9163 -5.12496 -29.9162 41.7032 -6.4192 -5.12497 -6.41913 -0.427712 GPRESSAVG: 827000 -7.67638 -29.6968 -4.35048 -28.1167 41.9642 -4.71063 -5.38479 -9.80382 -0.902244 TIMING: 827000 CPU: 2611.63, 0.00316359/step Wall: 2611.63, 0.00316359/step, 3.66713 hours remaining, 237.503906 MB of memory in use. ENERGY: 827000 4047.1216 20450.9169 14430.2874 226.9049 -202655.9415 2461.1715 0.0000 0.0000 51905.8417 -109133.6974 298.3036 -161039.5391 -108794.7886 299.4971 25.8237 47.1152 763685.1826 11.2560 11.1285 PRESSURE: 827200 -7.57108 -49.0369 -52.2872 -49.0374 -88.9324 -101.356 -52.2866 -101.356 397.646 GPRESSURE: 827200 54.0849 -27.1909 -51.3707 -21.2937 8.10686 -125.19 -14.6909 -127.416 327.866 PRESSAVG: 827200 -28.0739 -9.71477 8.87229 -9.71472 -1.70208 -11.5504 8.87232 -11.5503 -20.3366 GPRESSAVG: 827200 -28.9565 -6.04351 8.1 -12.0095 -1.59251 -13.0509 7.66763 -9.74603 -19.1071 TIMING: 827200 CPU: 2612.27, 0.00317816/step Wall: 2612.27, 0.00317816/step, 3.68384 hours remaining, 237.503906 MB of memory in use. ENERGY: 827200 3975.1260 20386.7761 14463.7538 241.3931 -203035.2842 2586.2807 0.0000 0.0000 52134.3904 -109247.5641 299.6171 -161381.9545 -108885.2712 299.8028 100.3807 130.0193 761490.3900 -16.7042 -16.5520 PRESSURE: 827400 121.372 -17.2268 -7.28595 -17.2271 144.1 -90.7452 -7.28623 -90.7448 217.692 GPRESSURE: 827400 131.846 -38.3907 -65.8245 48.622 210.537 -78.8242 6.57768 -84.5619 221.769 PRESSAVG: 827400 -32.8919 -43.4887 4.44057 -43.4888 59.6866 37.2512 4.44056 37.2511 -35.8233 GPRESSAVG: 827400 -33.0816 -45.1959 3.76395 -41.5847 61.522 39.3175 5.0421 36.9047 -35.7975 TIMING: 827400 CPU: 2612.91, 0.00319816/step Wall: 2612.91, 0.00319816/step, 3.70684 hours remaining, 237.503906 MB of memory in use. ENERGY: 827400 4016.2873 20402.7924 14504.6202 255.9246 -203037.8348 2475.1574 0.0000 0.0000 52285.8849 -109097.1681 300.4877 -161383.0530 -108743.1600 299.3983 161.0546 188.0509 761209.7024 -3.0095 -2.4524 PRESSURE: 827600 146.974 49.2272 82.3005 49.2273 4.21071 14.1249 82.2991 14.1246 -72.564 GPRESSURE: 827600 119.305 16.4409 112.999 -78.4511 82.4751 -24.6056 38.3883 -67.3702 -46.7765 PRESSAVG: 827600 -18.0652 -26.9738 -17.2016 -26.9738 23.2621 37.0313 -17.2016 37.0314 21.9443 GPRESSAVG: 827600 -17.3801 -26.987 -16.2642 -27.477 22.1767 35.9927 -17.5101 38.1093 22.3809 TIMING: 827600 CPU: 2613.54, 0.00317223/step Wall: 2613.54, 0.00317223/step, 3.67662 hours remaining, 237.503906 MB of memory in use. ENERGY: 827600 4047.4667 20281.3946 14446.1070 249.6062 -203199.2248 2747.2615 0.0000 0.0000 52332.8172 -109094.5717 300.7574 -161427.3889 -108723.1867 299.7064 26.2069 51.6679 763892.4490 9.0471 9.0592 PRESSURE: 827800 90.3306 124.222 56.3408 124.222 -26.952 100.943 56.3417 100.943 -142.022 GPRESSURE: 827800 171.163 116.443 85.6132 80.9603 3.03115 111.848 28.8499 169.942 -173.135 PRESSAVG: 827800 -47.4188 -14.9128 36.4521 -14.9129 19.5041 35.644 36.4522 35.6441 -6.26762 GPRESSAVG: 827800 -47.707 -17.4116 36.7522 -12.8687 19.1291 34.7702 37.471 36.5261 -6.1074 TIMING: 827800 CPU: 2614.17, 0.00316037/step Wall: 2614.17, 0.00316037/step, 3.66269 hours remaining, 237.503906 MB of memory in use. ENERGY: 827800 4022.9024 20550.1415 14474.7679 242.9169 -202758.3037 2335.0227 0.0000 0.0000 51861.3043 -109271.2480 298.0476 -161132.5522 -108911.0164 299.4848 -26.2144 0.3531 762083.3233 -11.3941 -11.5618 PRESSURE: 828000 -155.234 -1.48241 -134.771 -1.48275 109.072 -127.312 -134.771 -127.313 -37.6458 GPRESSURE: 828000 -78.1848 121.406 -152.969 -55.2949 105.267 -116.326 -69.0328 -176.44 -17.1711 PRESSAVG: 828000 -5.19296 -14.9738 -16.4652 -14.9738 7.33065 49.7701 -16.4653 49.77 23.1739 GPRESSAVG: 828000 -5.94925 -13.1683 -18.2324 -16.6153 7.93524 50.3655 -14.8603 48.3184 23.7026 TIMING: 828000 CPU: 2614.81, 0.00316827/step Wall: 2614.81, 0.00316827/step, 3.67167 hours remaining, 237.503906 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: 828000 3941.7123 20406.4056 14536.0722 247.5584 -203248.1456 2730.4400 0.0000 0.0000 52099.3401 -109286.6169 299.4156 -161385.9571 -108907.8173 299.5401 -27.9359 3.3036 762581.9678 8.4372 8.5629 PRESSURE: 828200 182.02 -272.736 128.227 -272.736 475.406 -124.027 128.226 -124.026 299.41 GPRESSURE: 828200 197.924 -117.5 54.7728 -262.675 497.537 -111.841 -2.08957 -57.1386 352.3 PRESSAVG: 828200 -9.43114 15.8663 26.7335 15.8664 -53.8777 -2.78644 26.7335 -2.78649 -11.5694 GPRESSAVG: 828200 -7.84304 14.9374 31.5675 17.0088 -54.246 -3.53606 24.4779 -3.06913 -13.3132 TIMING: 828200 CPU: 2615.44, 0.00318434/step Wall: 2615.44, 0.00318434/step, 3.69012 hours remaining, 237.503906 MB of memory in use. ENERGY: 828200 3935.4732 20168.5232 14597.1212 235.6141 -203178.4420 2736.8574 0.0000 0.0000 52153.5218 -109351.3311 299.7270 -161504.8529 -108986.7213 298.7838 318.9455 349.2540 760766.9264 -24.9594 -25.1341 LDB: ============= START OF LOAD BALANCING ============== 2627.9 LDB: ============== END OF LOAD BALANCING =============== 2627.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2627.9 LDB: ============= START OF LOAD BALANCING ============== 2628.22 LDB: Largest compute 7025 load 0.036207 is 18.6% of average load 0.195034 LDB: Average compute 0.004405 is 2.3% of average load 0.195034 LDB: TIME 2628.22 LOAD: AVG 0.195034 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.773 MB LDB: TIME 2628.22 LOAD: AVG 0.195034 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.977 MB LDB: TIME 2628.22 LOAD: AVG 0.195034 MAX 0.213079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.977 MB LDB: ============== END OF LOAD BALANCING =============== 2628.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2628.23 PRESSURE: 828400 301.249 10.8466 128.702 10.8462 -472.338 -58.1465 128.702 -58.1466 305.855 GPRESSURE: 828400 176.181 -88.6987 63.7928 15.9199 -308.849 -48.9302 122.691 -164.98 358.255 PRESSAVG: 828400 8.90176 -5.88648 -28.4185 -5.8865 3.43135 -61.6657 -28.4185 -61.6657 12.5842 GPRESSAVG: 828400 6.34142 -5.15008 -30.9732 -8.23379 3.86125 -63.3586 -27.5033 -61.1272 14.2888 TIMING: 828400 CPU: 2616.1, 0.00325598/step Wall: 2616.1, 0.00325598/step, 3.77295 hours remaining, 235.441406 MB of memory in use. ENERGY: 828400 4001.4561 20492.6363 14468.4032 236.4821 -202924.2157 2499.1270 0.0000 0.0000 52006.7406 -109219.3704 298.8835 -161226.1110 -108872.5310 299.6246 44.9217 75.1959 764426.2856 8.3058 8.1638 PRESSURE: 828600 266.965 63.7455 -108.041 63.7452 130.691 104.287 -108.042 104.287 91.7297 GPRESSURE: 828600 328.895 21.0046 -102.654 44.1624 72.0045 179.536 -198.202 29.8234 159.527 PRESSAVG: 828600 44.6245 -21.8407 -18.8329 -21.8407 -3.88102 17.6511 -18.8328 17.6512 -9.31397 GPRESSAVG: 828600 45.2802 -23.6007 -20.9058 -20.7304 -4.10629 18.144 -19.3441 17.9581 -9.77224 TIMING: 828600 CPU: 2616.73, 0.00318039/step Wall: 2616.73, 0.00318039/step, 3.68519 hours remaining, 235.441406 MB of memory in use. ENERGY: 828600 3877.0447 20494.2100 14502.8759 244.7635 -203158.9281 2544.0714 0.0000 0.0000 51923.5047 -109572.4580 298.4051 -161495.9627 -109215.4906 298.9270 163.1286 186.8088 762002.9864 10.4765 10.4672 PRESSURE: 828800 -300.785 3.60082 96.5184 3.6013 -93.663 -57.7483 96.5182 -57.7491 -384.709 GPRESSURE: 828800 -342.696 -41.6351 84.5013 -48.124 -46.587 19.9206 42.2823 17.5359 -322.58 PRESSAVG: 828800 18.4639 20.4611 42.2887 20.4611 -35.4978 -24.9188 42.2887 -24.9187 -13.269 GPRESSAVG: 828800 18.7657 22.663 43.9134 20.0976 -36.1002 -22.4672 43.5695 -26.4195 -12.9877 TIMING: 828800 CPU: 2617.37, 0.00319249/step Wall: 2617.37, 0.00319249/step, 3.69903 hours remaining, 235.441406 MB of memory in use. ENERGY: 828800 4024.6976 20635.6431 14469.9455 247.5312 -203179.0095 2487.3832 0.0000 0.0000 51977.5888 -109336.2200 298.7159 -161313.8088 -108971.8694 298.9371 -259.7191 -237.2879 763182.6073 -10.1009 -10.1074 PRESSURE: 829000 310.435 -113.627 182.057 -113.627 231.596 -130.849 182.056 -130.848 -391.36 GPRESSURE: 829000 379.876 -137.706 126.575 -28.2941 203.107 -76.0193 85.9723 -209.254 -347.621 PRESSAVG: 829000 0.738891 45.4038 26.259 45.4037 -15.7889 -45.3406 26.259 -45.3407 -13.6029 GPRESSAVG: 829000 0.8137 45.5047 26.2583 46.0691 -15.5693 -47.1178 25.4612 -43.7125 -13.5392 TIMING: 829000 CPU: 2618.01, 0.00318764/step Wall: 2618.01, 0.00318765/step, 3.69324 hours remaining, 235.441406 MB of memory in use. ENERGY: 829000 3997.3833 20585.3467 14440.6941 254.3483 -203265.5992 2424.0726 0.0000 0.0000 52164.4478 -109399.3065 299.7898 -161563.7543 -109027.9179 299.5711 50.2236 78.4538 762056.2561 -9.5510 -9.4316 PRESSURE: 829200 -150.897 -13.9857 28.0447 -13.9848 -213.876 -60.0496 28.0452 -60.0497 -303.743 GPRESSURE: 829200 -126.779 -52.5119 71.0063 60.5464 -180.623 -35.9754 88.9386 13.7462 -283.513 PRESSAVG: 829200 -11.6241 -48.7995 24.8168 -48.7995 37.601 -20.3618 24.8168 -20.3617 9.2768 GPRESSAVG: 829200 -11.1827 -50.1969 25.5473 -47.815 37.8131 -18.6632 23.8253 -23.4926 8.89251 TIMING: 829200 CPU: 2618.65, 0.00319191/step Wall: 2618.65, 0.0031919/step, 3.698 hours remaining, 235.441406 MB of memory in use. ENERGY: 829200 4042.9290 20491.6644 14427.6368 254.6180 -203029.8555 2230.8610 0.0000 0.0000 52055.6792 -109526.4671 299.1647 -161582.1463 -109173.8228 299.0717 -222.8387 -196.9716 762555.4723 11.7512 11.8410 PRESSURE: 829400 -12.7587 -163.15 -5.24997 -163.151 -80.9572 -194.106 -5.25016 -194.106 195.525 GPRESSURE: 829400 27.4403 -153.231 -52.6035 -230.734 -40.6321 -274.665 -0.353789 -66.8883 218.845 PRESSAVG: 829400 -10.5084 -13.9873 40.5019 -13.9874 15.5576 40.7825 40.5018 40.7826 3.87072 GPRESSAVG: 829400 -10.7527 -13.0885 38.5848 -15.458 15.8929 38.5959 42.7836 45.6381 4.16367 TIMING: 829400 CPU: 2619.29, 0.00320151/step Wall: 2619.29, 0.00320151/step, 3.70895 hours remaining, 235.441406 MB of memory in use. ENERGY: 829400 3987.9561 20605.0192 14544.1837 235.8514 -203709.6226 2788.9857 0.0000 0.0000 52052.7153 -109494.9113 299.1477 -161547.6265 -109124.6982 299.0367 33.9363 68.5510 760657.2420 2.9733 3.1013 PRESSURE: 829600 206.529 -120.612 -195.255 -120.612 -194.724 109.737 -195.254 109.737 -280.821 GPRESSURE: 829600 237.607 -108.456 -148.993 -285.859 -159.919 91.9724 -17.1937 -25.5749 -256.921 PRESSAVG: 829600 54.9165 -12.1843 10.8145 -12.1842 -21.4137 4.87984 10.8146 4.87985 3.49836 GPRESSAVG: 829600 53.1526 -13.1846 12.3555 -14.029 -19.6184 5.65588 10.9663 2.21035 3.49933 TIMING: 829600 CPU: 2619.94, 0.00325624/step Wall: 2619.94, 0.00325624/step, 3.77218 hours remaining, 235.441406 MB of memory in use. ENERGY: 829600 3929.1034 20653.5125 14397.1162 247.6536 -203482.2552 2561.2160 0.0000 0.0000 52036.3817 -109657.2719 299.0538 -161693.6535 -109293.8741 299.0693 -89.6721 -59.7445 760618.3023 12.3337 12.3445 PRESSURE: 829800 99.6612 -108.079 36.6863 -108.08 -174.025 -165.309 36.6867 -165.309 197.476 GPRESSURE: 829800 45.3387 -198.46 7.2671 -106.747 -68.1241 -121.855 43.4169 -166.095 245.088 PRESSAVG: 829800 -1.57357 -44.2146 0.762522 -44.2146 -9.53854 -36.7389 0.762484 -36.739 -6.30009 GPRESSAVG: 829800 0.0376605 -43.3815 -0.371952 -42.0494 -10.8813 -36.4883 1.38711 -35.5664 -6.79099 TIMING: 829800 CPU: 2620.58, 0.00319547/step Wall: 2620.58, 0.00319547/step, 3.7016 hours remaining, 235.441406 MB of memory in use. ENERGY: 829800 4001.8611 20299.2115 14466.1149 243.3439 -202847.6834 1975.7249 0.0000 0.0000 52261.7601 -109599.6670 300.3491 -161861.4271 -109233.6495 299.0377 41.0377 74.1007 761299.4163 -5.8041 -5.8782 PRESSURE: 830000 -141.333 -10.4732 -76.3068 -10.4735 -14.0633 246.794 -76.3053 246.794 15.1035 GPRESSURE: 830000 -28.1213 39.0941 -21.6094 -70.9324 -28.8216 120.695 -193.945 148.987 5.78755 PRESSAVG: 830000 -2.35578 -27.1257 -33.266 -27.1257 14.6404 -38.547 -33.266 -38.5469 23.8103 GPRESSAVG: 830000 -3.49078 -27.5969 -30.2906 -27.7726 15.8461 -39.7216 -37.3254 -39.274 23.3031 TIMING: 830000 CPU: 2621.22, 0.00319392/step Wall: 2621.22, 0.00319392/step, 3.69962 hours remaining, 235.441406 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: 830000 3996.5580 20317.2118 14555.1166 243.3303 -203413.7149 2791.4025 0.0000 0.0000 51964.9427 -109545.1530 298.6432 -161510.0956 -109168.9640 299.1380 -46.7643 -17.0518 760919.3526 12.0317 11.8861 PRESSURE: 830200 -297.008 -85.2777 211.624 -85.2777 -206.862 136.861 211.624 136.86 94.4789 GPRESSURE: 830200 -260.354 -34.9026 168.914 -43.2663 -144.614 37.8239 244.367 162.494 103.456 PRESSAVG: 830200 -43.4728 32.4811 -21.2392 32.4812 14.3007 22.6723 -21.2393 22.6722 7.37397 GPRESSAVG: 830200 -41.0901 32.531 -22.6828 33.1478 11.5111 24.0684 -18.3673 22.8377 7.78423 TIMING: 830200 CPU: 2621.85, 0.00319434/step Wall: 2621.85, 0.00319434/step, 3.69993 hours remaining, 235.441406 MB of memory in use. ENERGY: 830200 3968.7644 20408.3394 14509.0974 265.2129 -203304.7053 2447.5500 0.0000 0.0000 52242.7942 -109462.9469 300.2401 -161705.7412 -109102.1718 299.2672 -136.4639 -100.5039 760499.6147 -7.2660 -7.2649 PRESSURE: 830400 -308.344 271.566 -16.6222 271.566 -433.378 4.36503 -16.6223 4.36538 -337.63 GPRESSURE: 830400 -308.2 281.595 -61.8152 221.1 -336.437 70.7317 -54.1838 8.1205 -346.548 PRESSAVG: 830400 -8.11121 65.7653 -12.0057 65.7654 -15.4497 23.2615 -12.0057 23.2616 -25.4798 GPRESSAVG: 830400 -9.03925 65.2571 -11.3473 65.6981 -12.7678 24.786 -10.3888 22.8051 -26.7079 TIMING: 830400 CPU: 2622.5, 0.00321619/step Wall: 2622.5, 0.00321619/step, 3.72506 hours remaining, 235.441406 MB of memory in use. ENERGY: 830400 4052.1494 20484.6229 14457.5057 251.7603 -202907.7148 2108.7948 0.0000 0.0000 52230.7798 -109322.1017 300.1710 -161552.8815 -108956.6355 299.3234 -359.7841 -330.3951 762070.4541 -16.3469 -16.1716 PRESSURE: 830600 328.987 -38.3017 -39.4138 -38.3017 199.25 181.96 -39.4131 181.959 -83.9394 GPRESSURE: 830600 450.719 3.29716 6.83304 -66.1972 168.609 225.309 76.9874 183.646 -102.445 PRESSAVG: 830600 30.5863 -20.6945 -11.3072 -20.6945 -6.64628 43.4588 -11.3072 43.4587 3.7941 GPRESSAVG: 830600 31.0029 -21.6052 -11.4688 -20.4378 -7.19246 42.4548 -14.5791 43.7225 3.7736 TIMING: 830600 CPU: 2623.14, 0.00318911/step Wall: 2623.14, 0.00318911/step, 3.69352 hours remaining, 235.441406 MB of memory in use. ENERGY: 830600 4019.4097 20526.6094 14481.1966 268.0105 -203285.5346 2623.3646 0.0000 0.0000 51953.4132 -109413.5307 298.5770 -161366.9439 -109058.3847 299.3206 148.0992 172.2945 760216.7772 9.2447 9.1947 PRESSURE: 830800 -385.336 186.473 -213.61 186.473 -226.099 6.20694 -213.61 6.20762 -365.088 GPRESSURE: 830800 -397.692 188.234 -124.646 225.026 -162.234 -74.3777 -234.603 37.6806 -337.333 PRESSAVG: 830800 24.2398 -26.3669 -13.37 -26.3669 11.8869 27.7019 -13.37 27.7019 4.07045 GPRESSAVG: 830800 22.8046 -24.5748 -13.6035 -25.2498 12.3611 24.6934 -12.475 28.7703 5.21742 TIMING: 830800 CPU: 2623.77, 0.00318287/step Wall: 2623.77, 0.00318287/step, 3.68611 hours remaining, 235.441406 MB of memory in use. ENERGY: 830800 3997.3561 20477.1296 14497.8139 235.6695 -203182.7471 2607.6417 0.0000 0.0000 51861.9022 -109505.2341 298.0511 -161367.1363 -109144.6213 298.9095 -325.5075 -299.0866 761523.2502 13.3990 13.4610 PRESSURE: 831000 115.369 -17.645 -18.6817 -17.6449 -338.492 -144.276 -18.6829 -144.275 172.517 GPRESSURE: 831000 95.9137 -72.1113 -42.8227 -82.2664 -205.57 -101.069 -11.0187 7.90834 153.786 PRESSAVG: 831000 40.9512 25.286 35.1012 25.286 -2.40383 3.27858 35.1011 3.27863 6.35806 GPRESSAVG: 831000 40.9986 25.5677 34.9488 23.4552 -2.44339 6.68385 37.7181 1.96376 6.51121 TIMING: 831000 CPU: 2624.41, 0.00320338/step Wall: 2624.41, 0.00320338/step, 3.70969 hours remaining, 235.441406 MB of memory in use. ENERGY: 831000 3986.1470 20455.8922 14444.5577 245.0157 -203442.9178 2561.5442 0.0000 0.0000 52374.7897 -109374.9713 300.9986 -161749.7610 -108997.3409 299.5222 -16.8687 14.7098 760588.2783 14.9685 15.0221 PRESSURE: 831200 -119.649 -48.3101 -89.9336 -48.3108 -106.811 -168.376 -89.9334 -168.375 -347.214 GPRESSURE: 831200 -113.89 -21.2384 -250.905 78.6221 -69.3644 -160.536 -5.46242 -55.3628 -313.526 PRESSAVG: 831200 -18.513 -19.4714 -25.3212 -19.4713 45.8137 -6.17824 -25.3211 -6.17824 -26.8192 GPRESSAVG: 831200 -18.0402 -19.8059 -25.4786 -19.8083 44.9741 -8.34242 -27.466 -5.32634 -26.4325 TIMING: 831200 CPU: 2625.06, 0.00323662/step Wall: 2625.06, 0.00323662/step, 3.748 hours remaining, 235.441406 MB of memory in use. ENERGY: 831200 3890.9916 20577.7422 14524.2061 269.5917 -202946.3755 2130.0082 0.0000 0.0000 52299.1299 -109254.7057 300.5638 -161553.8356 -108891.8476 299.8504 -191.2249 -165.5935 760843.5086 0.1605 0.1671 PRESSURE: 831400 30.4792 -218.554 -12.0072 -218.554 260.178 -97.6087 -12.0071 -97.6081 75.8165 GPRESSURE: 831400 164.027 -269.039 99.6632 -133.535 160.029 -89.7753 32.783 -192.25 124.963 PRESSAVG: 831400 -5.47083 17.2563 -6.32089 17.2563 33.2729 -8.23083 -6.32097 -8.23079 8.23341 GPRESSAVG: 831400 -6.05802 17.7986 -6.55371 18.6495 35.3798 -6.12414 -8.45368 -9.23865 7.29667 TIMING: 831400 CPU: 2625.7, 0.00318718/step Wall: 2625.7, 0.00318718/step, 3.69058 hours remaining, 235.441406 MB of memory in use. ENERGY: 831400 4039.9593 20655.7490 14561.5103 232.1185 -203412.4666 2507.5773 0.0000 0.0000 52228.3115 -109187.2408 300.1568 -161415.5523 -108823.8901 299.8419 122.1578 149.6729 760418.6107 12.0118 12.2061 PRESSURE: 831600 -10.1645 4.62383 -355.619 4.62427 87.3784 -14.7649 -355.618 -14.7646 182.81 GPRESSURE: 831600 -39.5551 -5.01458 -327.015 -68.7543 168.646 -52.4317 -363.587 34.6482 214.953 PRESSAVG: 831600 -30.9792 -46.4305 -15.6591 -46.4305 6.88292 20.7635 -15.6591 20.7635 13.5816 GPRESSAVG: 831600 -29.8989 -45.5951 -14.3853 -47.1829 4.34849 19.2272 -13.4328 21.3835 13.5582 TIMING: 831600 CPU: 2626.34, 0.00320794/step Wall: 2626.34, 0.00320794/step, 3.71444 hours remaining, 235.441406 MB of memory in use. ENERGY: 831600 3911.3126 20472.9505 14538.7476 247.6918 -203119.3734 2585.3440 0.0000 0.0000 52151.8147 -109211.5122 299.7172 -161363.3269 -108846.2023 299.8919 86.6747 114.6813 761002.3126 -3.5049 -3.9974 PRESSURE: 831800 194.544 -282.425 -259.371 -282.425 20.0827 -97.9446 -259.371 -97.9445 23.4666 GPRESSURE: 831800 240.292 -298.152 -171.923 -224.529 87.4845 -84.9139 -266.613 -102.59 11.6173 PRESSAVG: 831800 -24.3189 -17.5639 44.4073 -17.564 41.2021 -43.5656 44.4073 -43.5656 -5.87837 GPRESSAVG: 831800 -25.6759 -17.7644 43.9394 -18.266 42.6098 -43.5114 44.7318 -42.8683 -5.30896 TIMING: 831800 CPU: 2626.98, 0.00319312/step Wall: 2626.98, 0.00319312/step, 3.6971 hours remaining, 235.441406 MB of memory in use. ENERGY: 831800 3930.6019 20403.0287 14483.3788 246.0193 -203468.2653 2705.1789 0.0000 0.0000 52458.5948 -109241.4629 301.4803 -161700.0577 -108866.4374 299.7415 79.3645 113.1313 759800.8862 3.6683 3.8750 PRESSURE: 832000 50.7495 -175.329 -158.762 -175.329 -193.981 117.871 -158.763 117.871 -73.6073 GPRESSURE: 832000 23.6253 -162.256 -127.93 -32.5078 -129.613 42.2985 -192.639 169.736 -17.6339 PRESSAVG: 832000 -27.9236 2.26499 1.54251 2.26492 14.1105 69.5095 1.54251 69.5094 -4.02613 GPRESSAVG: 832000 -26.9842 0.834196 -0.466618 5.44688 14.1349 69.4331 2.59347 69.0694 -4.65052 TIMING: 832000 CPU: 2627.61, 0.00318053/step Wall: 2627.61, 0.00318053/step, 3.68235 hours remaining, 235.441406 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: 832000 3936.6429 20495.1619 14519.6735 238.2845 -203050.7944 2306.5530 0.0000 0.0000 52179.8428 -109374.6357 299.8783 -161554.4785 -109009.5904 300.2958 -72.2795 -41.2071 759590.9737 -5.9464 -5.8333 PRESSURE: 832200 299.244 -23.9846 -42.1873 -23.9843 239.854 -10.9239 -42.1869 -10.9242 302.191 GPRESSURE: 832200 326.293 -77.8313 -121.161 -61.2223 304.299 -50.5062 93.0015 19.5268 291.462 PRESSAVG: 832200 30.3017 -51.2801 -26.63 -51.28 -5.17312 35.9456 -26.63 35.9456 4.83135 GPRESSAVG: 832200 29.9972 -50.9507 -24.9864 -52.4278 -5.42587 36.003 -27.6073 37.268 5.555 TIMING: 832200 CPU: 2628.25, 0.00316211/step Wall: 2628.25, 0.00316211/step, 3.66084 hours remaining, 235.441406 MB of memory in use. ENERGY: 832200 3966.5322 20405.0470 14536.4034 231.4134 -203380.7821 2851.8660 0.0000 0.0000 52050.2699 -109339.2500 299.1336 -161389.5200 -108970.1940 299.7102 280.4299 307.3511 761173.7662 9.9867 10.0421 LDB: ============= START OF LOAD BALANCING ============== 2640.7 LDB: ============== END OF LOAD BALANCING =============== 2640.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2640.7 LDB: ============= START OF LOAD BALANCING ============== 2641.02 LDB: Largest compute 7034 load 0.038066 is 19.5% of average load 0.195095 LDB: Average compute 0.004381 is 2.2% of average load 0.195095 LDB: TIME 2641.02 LOAD: AVG 0.195095 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.98 MB LDB: TIME 2641.02 LOAD: AVG 0.195095 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: TIME 2641.02 LOAD: AVG 0.195095 MAX 0.21512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: ============== END OF LOAD BALANCING =============== 2641.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2641.03 PRESSURE: 832400 -11.9447 -57.9414 118.17 -57.9413 -154.239 39.1071 118.172 39.1071 -192.87 GPRESSURE: 832400 144.86 -47.7286 22.4046 -64.1227 -207.22 156.426 88.8509 -79.832 -207.481 PRESSAVG: 832400 21.8502 31.0792 -10.185 31.0792 4.60995 -19.119 -10.185 -19.1189 22.7384 GPRESSAVG: 832400 22.4765 31.8796 -11.8665 30.2901 4.27252 -19.0388 -10.0728 -20.138 22.5215 TIMING: 832400 CPU: 2628.89, 0.00324125/step Wall: 2628.89, 0.00324125/step, 3.75228 hours remaining, 237.246094 MB of memory in use. ENERGY: 832400 3928.5078 20577.1052 14437.6674 254.2653 -202557.0460 2169.0558 0.0000 0.0000 51926.4658 -109263.9786 298.4221 -161190.4444 -108904.9846 299.2205 -119.6844 -89.9473 761569.9647 16.3995 16.4235 PRESSURE: 832600 242.376 205.967 22.6293 205.967 88.1747 127.384 22.6298 127.385 -350.634 GPRESSURE: 832600 250.642 198.639 50.1884 142.305 128.711 64.0879 78.4107 159.396 -303.617 PRESSAVG: 832600 42.0082 26.0301 44.6674 26.0301 -57.7729 27.9487 44.6674 27.9487 5.65657 GPRESSAVG: 832600 41.4813 26.7625 47.715 26.3409 -58.2465 28.8323 44.9271 26.6124 6.28603 TIMING: 832600 CPU: 2629.54, 0.00321279/step Wall: 2629.54, 0.00321279/step, 3.71916 hours remaining, 237.652344 MB of memory in use. ENERGY: 832600 4071.9383 20583.3839 14440.6667 234.7346 -203022.0711 2510.8830 0.0000 0.0000 52078.6164 -109101.8482 299.2965 -161180.4646 -108739.5419 299.7109 -6.6944 25.2453 761492.7988 -3.3694 -3.4931 PRESSURE: 832800 -207.84 213.479 132.501 213.48 130.259 -179.292 132.501 -179.291 293.891 GPRESSURE: 832800 -103.07 192.536 34.1156 100.359 153.457 -208.999 188.076 -116.066 243.896 PRESSAVG: 832800 17.7157 63.3991 47.5289 63.3992 25.6397 -13.2413 47.5289 -13.2413 4.10626 GPRESSAVG: 832800 16.6803 63.0157 44.732 64.0172 26.4173 -13.3218 47.7002 -12.8049 4.00689 TIMING: 832800 CPU: 2630.18, 0.00321296/step Wall: 2630.18, 0.00321296/step, 3.71918 hours remaining, 237.652344 MB of memory in use. ENERGY: 832800 3998.3014 20568.1464 14465.4029 252.2137 -202979.6608 2432.5499 0.0000 0.0000 52163.4905 -109099.5562 299.7843 -161263.0466 -108745.2274 300.2037 72.1033 98.0945 761239.5938 15.8206 15.7015 PRESSURE: 833000 164.31 59.8868 64.8188 59.8862 210.51 80.3327 64.8177 80.3348 -3.42482 GPRESSURE: 833000 242.231 59.863 51.2432 27.0744 210.749 97.8287 47.3401 269.582 27.952 PRESSAVG: 833000 44.6235 60.0828 54.3912 60.0827 -9.53931 -69.3335 54.3912 -69.3335 10.7457 GPRESSAVG: 833000 46.1369 60.4505 55.5433 59.2806 -10.8821 -71.0869 52.9172 -68.1867 10.075 TIMING: 833000 CPU: 2630.82, 0.00322321/step Wall: 2630.82, 0.00322321/step, 3.73087 hours remaining, 237.652344 MB of memory in use. ENERGY: 833000 4023.0132 20648.2919 14442.3445 220.3641 -203458.5015 2939.0505 0.0000 0.0000 52039.2085 -109146.2289 299.0700 -161185.4374 -108786.6670 300.1305 123.7981 160.3108 761739.2657 15.2766 15.1099 PRESSURE: 833200 -188.59 92.9432 158.13 92.9422 74.892 67.9084 158.13 67.9092 166.436 GPRESSURE: 833200 -135.666 20.1206 208.589 69.8536 122.836 -9.71074 -8.70182 98.9445 148.872 PRESSAVG: 833200 46.8293 4.75774 68.6259 4.75774 -27.5 -10.3939 68.6259 -10.394 43.0034 GPRESSAVG: 833200 45.3802 4.06898 67.7698 3.69018 -25.2932 -9.39709 69.1732 -10.2035 42.8083 TIMING: 833200 CPU: 2631.47, 0.00321801/step Wall: 2631.47, 0.00321801/step, 3.72467 hours remaining, 237.652344 MB of memory in use. ENERGY: 833200 4003.6704 20492.6176 14451.4390 252.8006 -203226.2599 2635.3846 0.0000 0.0000 52335.9998 -109054.3481 300.7757 -161390.3478 -108691.5371 300.0355 17.5792 45.3473 761566.6514 20.7776 20.9651 PRESSURE: 833400 -64.7155 21.3873 66.8841 21.3869 155.813 -35.2821 66.8846 -35.283 103.06 GPRESSURE: 833400 77.6309 96.4308 112.572 34.5945 102.2 -44.9465 190.197 -34.7671 81.5355 PRESSAVG: 833400 -14.2424 32.2958 -17.0669 32.2958 -17.8917 -8.52218 -17.0668 -8.52222 -5.21875 GPRESSAVG: 833400 -14.0611 31.5794 -17.3601 33.1727 -19.3832 -8.96818 -15.7983 -9.64799 -4.38553 TIMING: 833400 CPU: 2632.11, 0.00323382/step Wall: 2632.11, 0.00323382/step, 3.74279 hours remaining, 237.652344 MB of memory in use. ENERGY: 833400 3972.8006 20570.0911 14497.7351 242.3934 -203166.9598 2515.3010 0.0000 0.0000 52257.5649 -109111.0738 300.3249 -161368.6386 -108746.3142 300.3141 64.7191 87.1221 761814.2834 -12.4510 -12.6099 PRESSURE: 833600 -198.137 213.125 -27.0822 213.124 74.2179 -100.274 -27.0819 -100.272 71.8473 GPRESSURE: 833600 -114.586 194.06 -78.1579 58.2673 52.7791 -44.7997 43.2344 44.4575 104.59 PRESSAVG: 833600 12.8733 35.6805 -15.2085 35.6806 -0.247779 -79.5285 -15.2085 -79.5284 -15.4485 GPRESSAVG: 833600 15.0004 35.8224 -16.3706 35.5336 -1.73952 -76.7638 -16.6555 -80.7876 -16.0386 TIMING: 833600 CPU: 2632.76, 0.00322826/step Wall: 2632.76, 0.00322826/step, 3.73617 hours remaining, 237.652344 MB of memory in use. ENERGY: 833600 3967.2546 20573.6133 14485.0840 223.7473 -202954.1896 2353.5961 0.0000 0.0000 52113.4471 -109237.4471 299.4967 -161350.8942 -108865.5640 299.7472 -17.3571 14.2611 760972.8287 -0.9410 -0.9259 PRESSURE: 833800 -158.354 -199.493 280.666 -199.492 -448.341 -168.757 280.667 -168.756 -375.969 GPRESSURE: 833800 -223.834 -171.229 279.224 -124.184 -316.222 -111.133 264.594 -77.7826 -370.233 PRESSAVG: 833800 -16.6279 24.9651 75.8239 24.965 13.9326 11.5036 75.8239 11.5035 21.405 GPRESSAVG: 833800 -18.098 24.699 78.1366 25.1017 16.1625 9.76147 76.4485 11.2238 21.0416 TIMING: 833800 CPU: 2633.41, 0.00324147/step Wall: 2633.41, 0.00324147/step, 3.75128 hours remaining, 237.652344 MB of memory in use. ENERGY: 833800 4069.5425 20492.5277 14470.9177 243.1756 -202785.5163 2262.8930 0.0000 0.0000 52022.9928 -109223.4670 298.9769 -161246.4598 -108863.1435 299.5718 -327.5549 -303.4297 763597.5669 6.2366 6.3687 PRESSURE: 834000 -79.5386 -284.914 -127.349 -284.913 -294.382 -59.5401 -127.349 -59.5389 -314.06 GPRESSURE: 834000 -42.4238 -275.67 -88.7898 -332.095 -292.599 -71.1159 -132.988 -108.677 -277.075 PRESSAVG: 834000 9.96362 0.703027 12.2703 0.703036 -61.1294 10.3182 12.2703 10.3182 -14.2562 GPRESSAVG: 834000 9.81653 -0.322175 13.4441 1.67884 -62.4305 10.3615 11.9152 12.126 -12.9043 TIMING: 834000 CPU: 2634.05, 0.00320714/step Wall: 2634.05, 0.00320714/step, 3.71137 hours remaining, 237.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 834000 4008.6561 20467.7758 14520.0985 227.6126 -202879.5594 2346.1719 0.0000 0.0000 52108.3942 -109200.8503 299.4677 -161309.2445 -108828.5500 299.3555 -229.3269 -204.0326 761943.9116 -21.8073 -21.8394 PRESSURE: 834200 -77.6747 231.368 11.6176 231.367 -8.73083 373.233 11.6174 373.233 -288.507 GPRESSURE: 834200 -143.678 224.039 60.1388 293.309 101.281 331.041 19.0379 270.414 -245.949 PRESSAVG: 834200 -31.3633 18.4461 29.1535 18.446 13.7278 19.4244 29.1535 19.4243 16.9481 GPRESSAVG: 834200 -29.8058 19.027 27.3206 18.2148 13.2374 19.2711 29.8151 19.9033 15.7976 TIMING: 834200 CPU: 2634.69, 0.0031897/step Wall: 2634.69, 0.0031897/step, 3.69102 hours remaining, 237.652344 MB of memory in use. ENERGY: 834200 4023.8350 20574.1854 14485.0853 233.7342 -202788.9804 2534.3214 0.0000 0.0000 51953.5164 -108984.3027 298.5776 -160937.8190 -108627.7974 299.6782 -124.9708 -96.1155 762223.0047 -0.2291 -0.2569 PRESSURE: 834400 -197.005 -73.3532 219.494 -73.3531 -165.794 -97.2485 219.493 -97.2495 -64.8586 GPRESSURE: 834400 -251.837 99.4051 204.683 -106.555 -18.3076 -72.7925 173.672 -138.875 -76.2671 PRESSAVG: 834400 3.33633 8.60795 47.3755 8.60801 51.3578 -4.63558 47.3756 -4.63562 -6.13804 GPRESSAVG: 834400 1.13172 9.14016 47.9983 9.25442 52.7934 -4.38322 47.282 -5.65001 -5.48342 TIMING: 834400 CPU: 2635.33, 0.00320485/step Wall: 2635.33, 0.00320485/step, 3.70836 hours remaining, 237.652344 MB of memory in use. ENERGY: 834400 4067.4051 20341.6478 14449.7596 243.0989 -202801.2144 2345.4810 0.0000 0.0000 52243.8850 -109109.9371 300.2463 -161353.8220 -108745.1514 300.1413 -142.5524 -115.4707 760927.8227 16.1854 16.1472 PRESSURE: 834600 -17.1368 -289.675 41.471 -289.675 -419.826 -319.354 41.4715 -319.355 -206.873 GPRESSURE: 834600 8.98322 -250.165 74.9728 -274.179 -328.508 -317.372 -55.0684 -172.11 -223.689 PRESSAVG: 834600 -1.44477 -1.66577 70.4729 -1.66573 -73.1436 -18.4197 70.4728 -18.4196 -12.4909 GPRESSAVG: 834600 -1.08543 -1.6003 69.1639 -2.86434 -73.6603 -19.8617 69.2516 -14.5952 -12.6995 TIMING: 834600 CPU: 2635.97, 0.00322503/step Wall: 2635.97, 0.00322503/step, 3.73154 hours remaining, 237.652344 MB of memory in use. ENERGY: 834600 4083.9672 20556.4261 14512.2038 234.2743 -202998.9527 2289.7864 0.0000 0.0000 52143.2067 -109179.0880 299.6677 -161322.2948 -108813.9106 299.5434 -214.6121 -181.0712 760301.6661 -29.0264 -29.1484 PRESSURE: 834800 142.101 -84.4096 21.2745 -84.4104 -8.71497 6.23142 21.2749 6.23178 -110.593 GPRESSURE: 834800 192.572 -194.88 82.1929 -129.376 2.74394 -3.65057 -5.52459 -26.9829 -116.925 PRESSAVG: 834800 43.134 -19.1606 -27.9367 -19.1606 0.258658 -0.132622 -27.9367 -0.132665 3.54765 GPRESSAVG: 834800 43.885 -19.33 -26.8378 -19.7915 0.071591 1.13337 -27.4192 -2.68287 3.3326 TIMING: 834800 CPU: 2636.61, 0.00320126/step Wall: 2636.61, 0.00320126/step, 3.70386 hours remaining, 237.652344 MB of memory in use. ENERGY: 834800 3943.2108 20703.3082 14416.0697 265.7588 -202877.3749 2230.2664 0.0000 0.0000 52118.1098 -109200.6511 299.5235 -161318.7609 -108836.5494 300.4423 7.5975 26.1304 760953.2318 15.6468 15.7631 PRESSURE: 835000 181.143 -101.776 44.8795 -101.777 279.666 -82.5188 44.8794 -82.5179 -420.808 GPRESSURE: 835000 167.846 -93.1699 36.8094 -236.31 379.848 -89.851 6.43801 -166.661 -416.524 PRESSAVG: 835000 -15.1548 -18.8485 26.7769 -18.8484 -8.26967 -82.8704 26.7769 -82.8704 21.5079 GPRESSAVG: 835000 -16.3491 -19.0324 25.9859 -18.172 -8.08632 -83.969 25.4706 -82.1446 22.0857 TIMING: 835000 CPU: 2637.26, 0.00321561/step Wall: 2637.26, 0.00321561/step, 3.72028 hours remaining, 237.652344 MB of memory in use. ENERGY: 835000 3964.1994 20544.7811 14467.5188 242.4872 -203284.8205 2537.1168 0.0000 0.0000 52303.4520 -109225.2652 300.5887 -161528.7172 -108856.6561 300.0330 13.3337 43.7234 758605.4108 -0.6388 -0.7832 PRESSURE: 835200 139.453 -91.7673 -168.535 -91.7669 -205.053 87.0217 -168.534 87.0219 -170.372 GPRESSURE: 835200 271.635 -92.1779 -99.7397 -3.2146 -216.963 185.698 -194.732 44.5984 -200.014 PRESSAVG: 835200 2.65489 -47.859 4.27806 -47.859 50.3435 -19.6448 4.27796 -19.6449 -10.9646 GPRESSAVG: 835200 3.78255 -47.1008 4.07322 -48.6796 50.7706 -18.5273 7.12156 -19.8683 -12.1798 TIMING: 835200 CPU: 2637.9, 0.00319175/step Wall: 2637.9, 0.00319175/step, 3.69249 hours remaining, 237.652344 MB of memory in use. ENERGY: 835200 4020.2917 20626.6828 14480.3167 238.5747 -203085.9763 2434.4347 0.0000 0.0000 52125.0343 -109160.6413 299.5633 -161285.6756 -108803.8066 300.1386 -78.6571 -48.4473 761297.1878 14.0113 14.1245 PRESSURE: 835400 38.3801 43.2976 211.384 43.2974 -365.105 21.8234 211.385 21.8232 101.454 GPRESSURE: 835400 11.111 16.9782 259.692 40.1055 -232.427 -9.62944 180.584 -103.707 98.572 PRESSAVG: 835400 21.8377 2.76661 -10.5634 2.76656 22.7814 10.8519 -10.5634 10.8519 6.14952 GPRESSAVG: 835400 21.8066 2.93893 -11.8178 2.21044 21.7356 11.6712 -12.4572 9.95308 6.82254 TIMING: 835400 CPU: 2638.55, 0.00324873/step Wall: 2638.55, 0.00324873/step, 3.75824 hours remaining, 237.652344 MB of memory in use. ENERGY: 835400 3994.4582 20419.8543 14408.4295 247.8153 -203269.4069 2688.9863 0.0000 0.0000 52121.1978 -109388.6656 299.5412 -161509.8633 -109021.1698 299.7433 -75.0903 -40.9145 761159.8465 16.9229 16.7882 PRESSURE: 835600 -44.119 -8.78926 291.981 -8.78967 -10.1535 237.686 291.98 237.684 86.1384 GPRESSURE: 835600 18.1979 -30.4665 236.813 -36.107 33.2664 242.907 160.435 147.507 46.9658 PRESSAVG: 835600 -3.24649 -47.1648 38.0441 -47.1648 16.906 -7.26776 38.0441 -7.26776 -9.76415 GPRESSAVG: 835600 -3.76834 -46.6 40.5673 -46.9417 17.2422 -7.39028 38.7284 -8.7947 -9.79662 TIMING: 835600 CPU: 2639.2, 0.00325333/step Wall: 2639.2, 0.00325333/step, 3.76338 hours remaining, 237.652344 MB of memory in use. ENERGY: 835600 3959.1788 20570.4124 14481.1458 233.1184 -203417.3349 2808.3355 0.0000 0.0000 52003.3644 -109361.7796 298.8640 -161365.1440 -109000.1730 299.5552 10.6220 32.8100 761492.6731 1.2985 1.2258 PRESSURE: 835800 65.953 -75.4654 -76.2587 -75.4655 -25.5263 -12.2287 -76.2575 -12.2277 -266.373 GPRESSURE: 835800 82.2946 -115.895 -122.382 -150.624 37.2192 -8.32782 -74.6489 71.6208 -270.528 PRESSAVG: 835800 -0.808406 -21.5214 26.0756 -21.5213 -9.49764 26.2145 26.0756 26.2146 13.7266 GPRESSAVG: 835800 -0.851466 -21.2347 24.1888 -22.0279 -10.3023 25.552 24.3371 29.1966 14.0747 TIMING: 835800 CPU: 2639.83, 0.00319437/step Wall: 2639.83, 0.00319437/step, 3.695 hours remaining, 237.652344 MB of memory in use. ENERGY: 835800 4015.6324 20501.7118 14522.9310 242.8667 -203369.4893 2772.0522 0.0000 0.0000 51905.0160 -109409.2792 298.2988 -161314.2952 -109051.0583 299.6070 -75.3156 -50.3379 762276.2921 1.1402 0.9736 PRESSURE: 836000 153.854 -212.428 -55.4706 -212.429 -273.416 151.516 -55.4699 151.517 149.769 GPRESSURE: 836000 148.404 -227.098 -45.0032 -93.8236 -231.308 169.022 48.2096 24.5262 185.225 PRESSAVG: 836000 74.6302 -40.2925 23.1415 -40.2925 -46.8354 36.9973 23.1415 36.9972 3.51329 GPRESSAVG: 836000 74.3096 -42.4415 22.2391 -38.0606 -47.078 37.1806 26.425 35.4439 4.16255 TIMING: 836000 CPU: 2640.47, 0.00319864/step Wall: 2640.47, 0.00319864/step, 3.69976 hours remaining, 237.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 836000 4069.3099 20409.8904 14466.9357 240.3875 -203768.3465 2786.0168 0.0000 0.0000 52173.2995 -109622.5067 299.8407 -161795.8062 -109249.9326 299.2715 10.0688 34.1071 759417.2823 10.4360 10.4647 PRESSURE: 836200 -215.335 -152.397 222.884 -152.396 -157.819 133.228 222.884 133.228 -10.0814 GPRESSURE: 836200 -125.125 -150.235 257.244 -80.3342 -52.8359 69.4033 311.114 250.437 -106.359 PRESSAVG: 836200 9.43186 -18.0009 -25.8471 -18.001 -22.9734 43.0295 -25.847 43.0296 14.3387 GPRESSAVG: 836200 10.1958 -17.0124 -24.335 -18.0176 -21.5342 42.8176 -26.2039 45.1007 12.0573 TIMING: 836200 CPU: 2641.11, 0.00318706/step Wall: 2641.11, 0.00318706/step, 3.68619 hours remaining, 237.652344 MB of memory in use. ENERGY: 836200 3994.4976 20437.5880 14503.6134 270.3276 -203622.3401 2607.5467 0.0000 0.0000 51984.0504 -109824.7165 298.7531 -161808.7669 -109461.6243 299.0248 -127.7454 -94.7732 760651.2641 0.2657 0.2396 LDB: ============= START OF LOAD BALANCING ============== 2653.57 LDB: ============== END OF LOAD BALANCING =============== 2653.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2653.57 LDB: ============= START OF LOAD BALANCING ============== 2653.89 LDB: Largest compute 7034 load 0.037471 is 19.2% of average load 0.195101 LDB: Average compute 0.004382 is 2.2% of average load 0.195101 LDB: TIME 2653.89 LOAD: AVG 0.195101 MAX 0.213997 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.219 MB LDB: TIME 2653.89 LOAD: AVG 0.195101 MAX 0.213997 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: TIME 2653.89 LOAD: AVG 0.195101 MAX 0.213997 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: ============== END OF LOAD BALANCING =============== 2653.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2653.9 PRESSURE: 836400 -130.247 -32.3921 262.726 -32.3921 3.50954 -180.216 262.724 -180.216 -95.6175 GPRESSURE: 836400 -37.5354 -14.3042 327.811 -21.603 50.3638 -244.218 94.1725 -151.053 -122.535 PRESSAVG: 836400 37.5472 -17.046 39.3724 -17.046 8.33533 61.901 39.3724 61.901 -12.9185 GPRESSAVG: 836400 35.9268 -17.0044 41.0517 -17.9243 8.58683 61.3841 37.3593 61.1132 -11.1261 TIMING: 836400 CPU: 2641.76, 0.0032562/step Wall: 2641.76, 0.0032562/step, 3.76597 hours remaining, 238.203125 MB of memory in use. ENERGY: 836400 4005.6005 20384.3259 14544.1871 259.7301 -203508.9087 2377.7529 0.0000 0.0000 52051.0223 -109886.2900 299.1379 -161937.3123 -109521.8277 298.4406 -74.1184 -36.5688 760036.7084 10.9880 11.1292 PRESSURE: 836600 334.26 142.129 -291.685 142.128 178.23 -3.03509 -291.685 -3.03561 149.971 GPRESSURE: 836600 292.926 75.5361 -196.59 181.456 159.962 -22.7789 -271.857 -62.4092 302.659 PRESSAVG: 836600 46.6831 -9.86682 -5.18464 -9.86679 -54.9103 15.5355 -5.18462 15.5355 32.5896 GPRESSAVG: 836600 46.8041 -10.2286 -6.48202 -8.09395 -55.3606 16.004 -4.63666 13.9163 32.5354 TIMING: 836600 CPU: 2642.4, 0.00319538/step Wall: 2642.4, 0.00319538/step, 3.69546 hours remaining, 238.339844 MB of memory in use. ENERGY: 836600 3932.8572 20605.1252 14544.0628 253.2196 -203711.6361 2575.3894 0.0000 0.0000 51945.3287 -109855.6532 298.5305 -161800.9819 -109496.3336 298.4016 220.8200 251.8492 759893.5592 8.1208 7.9930 PRESSURE: 836800 -22.9841 -52.161 35.4553 -52.1613 -109.125 -49.5563 35.455 -49.5559 -129.594 GPRESSURE: 836800 -50.2987 -119.568 19.2601 -96.4576 -28.8007 -45.4652 -75.445 75.6463 -99.2067 PRESSAVG: 836800 -42.3299 -7.68316 -3.81227 -7.68318 20.8974 60.1486 -3.81225 60.1485 -11.6972 GPRESSAVG: 836800 -40.3304 -8.39967 -4.36194 -9.15698 20.3332 60.519 -4.09708 59.9554 -12.8339 TIMING: 836800 CPU: 2643.04, 0.00320126/step Wall: 2643.04, 0.00320126/step, 3.70208 hours remaining, 238.339844 MB of memory in use. ENERGY: 836800 4033.4380 20498.3854 14560.5649 265.2782 -203610.2196 2620.6577 0.0000 0.0000 51897.1202 -109734.7753 298.2535 -161631.8954 -109359.9587 298.4121 -87.2342 -59.4354 760962.6941 -11.0432 -10.9437 PRESSURE: 837000 -100.592 -222.19 -172.689 -222.19 -304.605 101.82 -172.69 101.819 -52.5231 GPRESSURE: 837000 -90.8399 -263.063 -103.532 -241.412 -291.744 131.245 -189.062 -7.59862 -12.5024 PRESSAVG: 837000 7.05311 6.04397 -2.88444 6.04394 -32.5515 -4.78859 -2.88437 -4.78847 -5.13171 GPRESSAVG: 837000 5.27378 6.86683 -1.79353 5.27153 -32.7054 -4.00281 -3.22304 -2.87452 -3.21255 TIMING: 837000 CPU: 2643.68, 0.00319263/step Wall: 2643.68, 0.00319263/step, 3.69192 hours remaining, 238.410156 MB of memory in use. ENERGY: 837000 3948.6515 20563.0772 14476.7725 247.6616 -203360.6988 2564.7527 0.0000 0.0000 51915.7484 -109644.0348 298.3605 -161559.7832 -109290.9003 298.7204 -152.5732 -131.6954 763043.2287 -10.2100 -10.2147 PRESSURE: 837200 -159.5 129.626 -28.3599 129.626 -165.326 144.267 -28.3598 144.266 69.5436 GPRESSURE: 837200 -83.0019 32.7357 -73.7433 132.089 -102.115 37.2589 40.9431 -40.1775 23.9759 PRESSAVG: 837200 39.3592 -11.8383 22.5753 -11.8383 -36.1627 -7.18028 22.5754 -7.18022 -34.4604 GPRESSAVG: 837200 39.4636 -14.0951 21.571 -11.155 -35.5386 -7.62932 22.278 -8.93001 -35.1849 TIMING: 837200 CPU: 2644.32, 0.00318305/step Wall: 2644.32, 0.00318305/step, 3.68067 hours remaining, 238.410156 MB of memory in use. ENERGY: 837200 3935.4764 20443.6135 14472.0702 262.8503 -203011.1235 2399.5684 0.0000 0.0000 51708.7785 -109788.7662 297.1711 -161497.5447 -109418.9545 298.5396 -85.0941 -53.7136 760208.9892 -10.4213 -10.4200 PRESSURE: 837400 -137.946 -71.1854 -7.71583 -71.1861 -263.538 -43.0966 -7.71567 -43.0962 -106.085 GPRESSURE: 837400 -106.722 6.87454 -23.1125 -14.1516 -202.796 -10.9772 -71.8473 -1.05425 -77.5269 PRESSAVG: 837400 -8.72621 24.985 2.90109 24.9851 26.0143 60.9 2.90113 60.8999 -3.43308 GPRESSAVG: 837400 -9.40138 27.3682 3.51006 26.3935 26.561 60.4783 3.20656 62.7802 -2.70507 TIMING: 837400 CPU: 2644.96, 0.00319079/step Wall: 2644.96, 0.00319079/step, 3.68944 hours remaining, 238.410156 MB of memory in use. ENERGY: 837400 3987.2182 20480.5274 14505.4628 244.7720 -203439.3267 2428.8532 0.0000 0.0000 51791.4598 -110001.0334 297.6462 -161792.4932 -109634.4764 297.9747 -169.1895 -129.0151 759474.4794 4.6183 4.8182 PRESSURE: 837600 -198.947 4.80666 -71.8008 4.8072 44.0763 93.946 -71.8003 93.9463 51.0003 GPRESSURE: 837600 -47.0979 86.6464 -79.1729 -21.1543 -36.3823 3.90032 3.45528 73.5179 75.1546 PRESSAVG: 837600 4.61723 0.701191 1.09761 0.701204 16.7253 -28.6282 1.09753 -28.6282 0.43203 GPRESSAVG: 837600 6.57985 -0.110515 0.352543 -0.66202 15.1921 -27.9974 2.07658 -27.3218 -0.338023 TIMING: 837600 CPU: 2645.59, 0.00319557/step Wall: 2645.59, 0.00319557/step, 3.69479 hours remaining, 238.410156 MB of memory in use. ENERGY: 837600 3972.6220 20626.2766 14496.8790 240.9074 -203168.0639 2297.4772 0.0000 0.0000 51786.9658 -109746.9357 297.6204 -161533.9015 -109395.4593 297.9972 -34.6234 -2.7752 759650.5313 7.2582 7.1446 PRESSURE: 837800 42.4513 269.072 187.337 269.073 38.7662 42.1142 187.337 42.114 -60.173 GPRESSURE: 837800 49.5309 287.7 142.455 245.363 67.4551 62.5085 205.414 18.9729 -31.4804 PRESSAVG: 837800 0.535281 -28.0364 23.0888 -28.0363 62.6497 -15.3666 23.0888 -15.3666 8.73521 GPRESSAVG: 837800 0.277305 -29.7003 21.0278 -27.5118 61.8602 -15.8283 24.3361 -14.5079 9.77886 TIMING: 837800 CPU: 2646.23, 0.00317093/step Wall: 2646.23, 0.00317093/step, 3.66613 hours remaining, 238.410156 MB of memory in use. ENERGY: 837800 4005.9530 20526.1213 14544.2874 247.6117 -203360.5558 2391.4824 0.0000 0.0000 52108.9585 -109536.1416 299.4709 -161645.1001 -109172.2450 298.9213 7.0148 28.5019 760012.1843 23.9734 23.9721 PRESSURE: 838000 -35.9394 25.1502 -102.952 25.1503 -149.209 63.9489 -102.952 63.9477 -79.9439 GPRESSURE: 838000 -42.0973 24.3531 -106.744 -30.9234 -99.4885 156.953 -186.22 49.7518 -34.5948 PRESSAVG: 838000 -39.3471 -26.1338 8.92913 -26.1338 11.9923 -17.6726 8.92916 -17.6725 -7.50385 GPRESSAVG: 838000 -40.0025 -25.9614 10.6753 -25.387 13.6114 -18.0582 6.80239 -20.4091 -8.60048 TIMING: 838000 CPU: 2646.87, 0.00320361/step Wall: 2646.87, 0.00320361/step, 3.70372 hours remaining, 238.410156 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: 838000 4056.3778 20400.2032 14515.4784 251.6172 -203292.0076 2529.0845 0.0000 0.0000 52184.0506 -109355.1958 299.9025 -161539.2464 -108995.4785 299.0021 -88.3640 -58.7269 760376.1797 -11.6196 -11.6639 PRESSURE: 838200 -324.596 -108.052 118.659 -108.052 165.887 -186.185 118.659 -186.184 -113.13 GPRESSURE: 838200 -217.528 -210.422 168.531 -4.14403 93.5396 -157.058 112.602 -333.231 -76.7411 PRESSAVG: 838200 0.28342 7.49745 17.794 7.49736 23.5883 -26.5314 17.794 -26.5314 -9.88681 GPRESSAVG: 838200 0.681418 7.93374 17.6607 8.17892 22.4552 -26.591 19.923 -25.1418 -9.73269 TIMING: 838200 CPU: 2647.51, 0.00320899/step Wall: 2647.51, 0.00320899/step, 3.70977 hours remaining, 238.410156 MB of memory in use. ENERGY: 838200 4094.9156 20673.4391 14483.4896 244.5307 -203241.6453 2467.0693 0.0000 0.0000 51928.9231 -109349.2780 298.4362 -161278.2011 -108999.5086 299.7676 -90.6132 -66.9099 760669.6581 4.6616 4.4680 PRESSURE: 838400 179.592 14.9269 -178.379 14.9257 -181.102 347.766 -178.379 347.767 -407.722 GPRESSURE: 838400 147.332 -21.7527 -202.875 -7.75934 -80.3604 385.885 -132.843 305.942 -368.264 PRESSAVG: 838400 -13.4353 -22.8254 66.9919 -22.8254 1.40435 -3.13532 66.9919 -3.13534 19.0135 GPRESSAVG: 838400 -12.1816 -20.5838 68.1283 -24.9917 1.30705 -2.48882 65.0514 -3.82599 17.7352 TIMING: 838400 CPU: 2648.15, 0.00321656/step Wall: 2648.15, 0.00321656/step, 3.71834 hours remaining, 238.410156 MB of memory in use. ENERGY: 838400 4039.1456 20330.1791 14547.5887 262.4386 -203557.3480 2646.4574 0.0000 0.0000 52212.5624 -109518.9762 300.0663 -161731.5387 -109154.3805 299.4559 -136.4105 -100.4309 760346.1689 2.3275 2.2869 PRESSURE: 838600 104.496 -14.2858 208.646 -14.2859 159.393 81.1455 208.646 81.1458 131.576 GPRESSURE: 838600 123.97 5.44545 273.023 -84.6733 213.35 114.679 253.164 -11.4606 153.682 PRESSAVG: 838600 4.04605 -65.9336 -15.9697 -65.9336 -11.0656 14.5847 -15.9697 14.5847 -11.1839 GPRESSAVG: 838600 2.73106 -66.7358 -16.7945 -67.3418 -11.3996 14.2669 -15.3949 13.9496 -10.1254 TIMING: 838600 CPU: 2648.79, 0.00319993/step Wall: 2648.79, 0.00319993/step, 3.69894 hours remaining, 238.410156 MB of memory in use. ENERGY: 838600 3913.9629 20516.6127 14487.0409 243.8632 -203306.6582 2636.6933 0.0000 0.0000 51874.7506 -109633.7345 298.1249 -161508.4852 -109275.8413 299.2540 131.8214 163.6676 760496.9534 -6.0678 -6.2647 PRESSURE: 838800 103.941 -75.6653 -115.612 -75.6647 212.456 -165.936 -115.61 -165.936 -76.1287 GPRESSURE: 838800 222.75 6.23384 -66.731 -146.005 103.708 -66.6457 -88.2928 -256.001 -2.79749 PRESSAVG: 838800 6.72978 -27.9351 76.743 -27.9351 -23.7458 -5.98592 76.7431 -5.98598 -14.1181 GPRESSAVG: 838800 7.42009 -28.0357 77.0292 -27.1576 -24.2534 -6.2976 74.3728 -6.23361 -14.242 TIMING: 838800 CPU: 2649.44, 0.00322416/step Wall: 2649.44, 0.00322416/step, 3.72677 hours remaining, 238.410156 MB of memory in use. ENERGY: 838800 3895.1490 20566.8716 14496.8044 249.6081 -203677.2101 2699.1987 0.0000 0.0000 52189.7408 -109579.8375 299.9352 -161769.5783 -109220.6290 298.8373 80.0896 107.8868 760196.8687 -10.3780 -10.3584 PRESSURE: 839000 -264.902 161.263 -15.2633 161.263 -231.861 -177.38 -15.2639 -177.38 26.8141 GPRESSURE: 839000 -223.959 95.5816 -64.3827 235.7 -192.667 -241.971 24.9831 -55.1511 15.9431 PRESSAVG: 839000 -0.449665 -18.3941 -10.9399 -18.394 -16.794 -21.9301 -10.9399 -21.9303 -15.0297 GPRESSAVG: 839000 -0.0698781 -17.7235 -10.1352 -17.0504 -16.2705 -21.5811 -9.106 -21.798 -15.6886 TIMING: 839000 CPU: 2650.08, 0.00319929/step Wall: 2650.08, 0.00319929/step, 3.69785 hours remaining, 238.410156 MB of memory in use. ENERGY: 839000 3976.8580 20395.7596 14537.8417 237.3799 -203437.1256 2524.9943 0.0000 0.0000 52055.6997 -109708.5923 299.1648 -161764.2920 -109338.2586 299.1056 -156.6497 -133.5611 761594.2206 -10.7578 -10.6763 PRESSURE: 839200 -388.24 -11.1385 -123.951 -11.1378 44.6649 39.1184 -123.952 39.1184 -158.28 GPRESSURE: 839200 -213.835 39.2221 -136.491 21.7188 -5.86444 6.84881 -65.4291 0.466225 -189.249 PRESSAVG: 839200 13.4609 16.4166 9.76422 16.4166 -68.7343 12.7772 9.76429 12.7772 8.50134 GPRESSAVG: 839200 12.621 14.7055 9.35356 17.047 -67.9704 12.7863 9.52381 11.9942 8.80204 TIMING: 839200 CPU: 2650.72, 0.00320552/step Wall: 2650.72, 0.00320552/step, 3.70487 hours remaining, 238.410156 MB of memory in use. ENERGY: 839200 3939.3243 20565.2040 14464.5250 252.0863 -203380.8094 2481.8314 0.0000 0.0000 52062.3572 -109615.4812 299.2031 -161677.8384 -109253.8898 299.0118 -167.2852 -136.3162 759869.4502 -15.5907 -15.5158 PRESSURE: 839400 -20.8602 20.5431 -205.086 20.5428 -453.277 -12.872 -205.086 -12.872 314.158 GPRESSURE: 839400 47.6592 -8.42246 -239.278 21.8707 -391.31 53.354 -54.4185 -23.661 282.058 PRESSAVG: 839400 41.5511 -12.6468 13.6149 -12.6469 -0.910643 -10.0919 13.6149 -10.092 13.0942 GPRESSAVG: 839400 40.8441 -10.6853 13.6007 -12.078 -0.846418 -10.1754 13.7046 -9.06764 13.9698 TIMING: 839400 CPU: 2651.36, 0.00321883/step Wall: 2651.36, 0.00321883/step, 3.72007 hours remaining, 238.410156 MB of memory in use. ENERGY: 839400 4035.7902 20542.2679 14444.1244 256.1427 -203338.6981 2572.7918 0.0000 0.0000 51860.6073 -109626.9739 298.0436 -161487.5811 -109263.9475 299.0916 -53.3265 -20.5310 760215.0115 17.9115 17.9892 PRESSURE: 839600 -40.8723 45.2856 -23.761 45.2852 -24.9145 48.5896 -23.7611 48.5886 -3.89002 GPRESSURE: 839600 49.0075 6.79351 -50.9763 -13.851 -29.0066 57.7762 146.987 -4.46392 3.45498 PRESSAVG: 839600 26.1686 -4.28719 23.5471 -4.28718 -7.96236 -5.39928 23.5471 -5.39931 -11.1063 GPRESSAVG: 839600 26.0737 -6.45472 23.717 -4.59523 -7.81305 -3.98935 24.1394 -6.83336 -11.475 TIMING: 839600 CPU: 2652.01, 0.00321436/step Wall: 2652.01, 0.00321436/step, 3.71473 hours remaining, 238.410156 MB of memory in use. ENERGY: 839600 3999.8423 20523.0170 14463.2459 271.0595 -202781.3776 2128.5860 0.0000 0.0000 51957.2137 -109438.4133 298.5988 -161395.6270 -109082.1482 299.3375 -23.2256 7.8186 760385.0305 2.3666 2.2619 PRESSURE: 839800 -296.293 107.084 41.0591 107.085 321.898 -38.8681 41.0593 -38.8687 -284.196 GPRESSURE: 839800 -192.072 86.0577 61.9225 92.3056 294.954 -108.351 31.0789 -83.5831 -309.13 PRESSAVG: 839800 -61.435 -8.6252 21.4266 -8.62521 -8.85425 0.807566 21.4266 0.807497 12.6526 GPRESSAVG: 839800 -61.3892 -7.56397 22.7504 -10.6051 -9.31497 0.707517 19.662 -0.101023 12.8661 TIMING: 839800 CPU: 2652.64, 0.00317777/step Wall: 2652.64, 0.00317777/step, 3.67226 hours remaining, 238.410156 MB of memory in use. ENERGY: 839800 4012.0238 20455.0692 14460.7824 263.1936 -203133.9565 2403.9787 0.0000 0.0000 51961.0273 -109577.8816 298.6207 -161538.9089 -109202.1427 299.4791 -86.1969 -68.7495 759604.7057 -19.2122 -19.2794 PRESSURE: 840000 113.729 -35.5676 60.4912 -35.5676 -116.527 -277.514 60.4909 -277.515 283.417 GPRESSURE: 840000 73.0711 -81.907 157.962 -30.6616 25.1964 -329.27 -3.26456 -182.906 258.195 PRESSAVG: 840000 19.9745 -35.7044 61.6038 -35.7044 40.0992 -9.38844 61.6039 -9.38839 -13.1726 GPRESSAVG: 840000 18.9386 -33.5131 60.4549 -35.5142 39.9564 -11.4781 61.3389 -3.50571 -12.7679 TIMING: 840000 CPU: 2653.28, 0.00317785/step Wall: 2653.28, 0.00317785/step, 3.67218 hours remaining, 238.410156 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: 840000 3971.8182 20585.5848 14472.4821 259.6085 -203650.6928 2791.5778 0.0000 0.0000 51803.2883 -109766.3331 297.7142 -161569.6214 -109403.2607 299.2793 93.5398 118.8207 759851.9841 15.6337 15.3757 PRESSURE: 840200 76.704 -197.215 -74.2721 -197.215 -362.797 -30.4571 -74.2722 -30.4577 -90.3247 GPRESSURE: 840200 53.9228 -54.3894 -53.7056 -67.5944 -276.911 54.901 22.4741 -188.552 -90.908 PRESSAVG: 840200 56.9415 36.844 -22.0348 36.844 -55.6582 11.8189 -22.0348 11.8189 -5.19311 GPRESSAVG: 840200 57.3688 36.6563 -21.7448 37.4126 -55.9655 12.3495 -21.2045 8.84688 -5.52135 TIMING: 840200 CPU: 2653.92, 0.00320025/step Wall: 2653.92, 0.00320025/step, 3.69789 hours remaining, 238.613281 MB of memory in use. ENERGY: 840200 3942.2665 20535.0553 14380.9139 270.0986 -203206.1208 2511.8592 0.0000 0.0000 51689.5896 -109876.3377 297.0608 -161565.9273 -109517.1685 298.1614 -125.4727 -104.6320 761693.5265 -1.3033 -1.3727 LDB: ============= START OF LOAD BALANCING ============== 2666.37 LDB: ============== END OF LOAD BALANCING =============== 2666.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2666.38 LDB: ============= START OF LOAD BALANCING ============== 2666.69 LDB: Largest compute 7034 load 0.037448 is 19.2% of average load 0.195021 LDB: Average compute 0.004389 is 2.3% of average load 0.195021 LDB: TIME 2666.7 LOAD: AVG 0.195021 MAX 0.215801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 2666.7 LOAD: AVG 0.195021 MAX 0.215801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 2666.7 LOAD: AVG 0.195021 MAX 0.215801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 2666.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2666.7 PRESSURE: 840400 4.85197 208.994 127.496 208.993 -249.388 27.8287 127.496 27.8275 -261.87 GPRESSURE: 840400 113.798 117.655 113.388 201.513 -225.728 91.7326 37.5348 76.7094 -296.292 PRESSAVG: 840400 30.3028 -8.2536 -0.145814 -8.25359 33.5709 -11.3084 -0.145832 -11.3084 19.4575 GPRESSAVG: 840400 29.5071 -10.2241 -1.33234 -6.49523 34.6794 -10.4144 0.377042 -12.4186 19.8245 TIMING: 840400 CPU: 2654.57, 0.00325324/step Wall: 2654.57, 0.00325324/step, 3.75894 hours remaining, 235.761719 MB of memory in use. ENERGY: 840400 3862.8160 20505.9667 14453.0579 242.8360 -203066.4659 2352.1698 0.0000 0.0000 51805.6175 -109844.0021 297.7276 -161649.6196 -109489.5137 297.8980 -168.8019 -136.0743 760507.8030 27.7770 28.0037 PRESSURE: 840600 -210.318 -15.0549 -103.113 -15.0555 -117.768 220.975 -103.112 220.974 111.289 GPRESSURE: 840600 -274.003 -92.3367 -97.7817 60.0552 -38.5582 166.404 38.4428 76.5279 183.429 PRESSAVG: 840600 16.6259 -1.5263 -26.1528 -1.52631 -10.4605 17.3438 -26.1529 17.3437 -12.2794 GPRESSAVG: 840600 17.6938 -0.0310174 -25.5372 -2.89371 -10.2147 17.3587 -27.2587 17.1115 -13.0682 TIMING: 840600 CPU: 2655.22, 0.00323521/step Wall: 2655.22, 0.00323521/step, 3.73792 hours remaining, 235.761719 MB of memory in use. ENERGY: 840600 4032.8628 20440.0476 14532.8612 265.0075 -203145.0044 2375.2451 0.0000 0.0000 51807.0438 -109691.9364 297.7358 -161498.9802 -109336.3712 298.4950 -72.2656 -43.0441 759658.9680 -2.0380 -1.8630 PRESSURE: 840800 -170.336 -259.761 282.063 -259.761 -198.097 -75.7333 282.063 -75.7331 54.0396 GPRESSURE: 840800 -205.344 -221.75 264.73 -170.209 -129.443 -193.608 251.309 -159.295 106.233 PRESSAVG: 840800 -11.9815 -4.31423 43.8064 -4.31416 -12.0088 -16.0225 43.8064 -16.0226 11.1922 GPRESSAVG: 840800 -12.334 -3.81966 43.5184 -3.22047 -11.9029 -14.7848 44.1638 -16.3475 11.7757 TIMING: 840800 CPU: 2655.86, 0.0032189/step Wall: 2655.86, 0.0032189/step, 3.7189 hours remaining, 235.964844 MB of memory in use. ENERGY: 840800 3989.4088 20597.6079 14492.3541 230.8003 -203628.5277 2657.3564 0.0000 0.0000 51997.0965 -109663.9037 298.8280 -161661.0003 -109305.1909 299.1113 -104.7980 -76.1849 760732.2122 -4.2660 -4.1537 PRESSURE: 841000 -115.869 -161.071 33.1409 -161.071 21.3831 -141.797 33.1402 -141.798 -181.821 GPRESSURE: 841000 -27.6858 -94.5875 -25.3467 -150.94 58.7928 -230.95 -39.9066 -152.975 -215.794 PRESSAVG: 841000 37.9061 18.6509 11.8925 18.6509 -29.0098 1.16381 11.8926 1.16379 -25.7887 GPRESSAVG: 841000 38.8278 18.1789 10.426 17.5156 -30 -1.12715 10.5174 3.1992 -25.6711 TIMING: 841000 CPU: 2656.5, 0.00319035/step Wall: 2656.5, 0.00319035/step, 3.68574 hours remaining, 235.964844 MB of memory in use. ENERGY: 841000 4040.4342 20504.6178 14486.7065 251.3857 -203581.9204 2542.0801 0.0000 0.0000 52061.8441 -109694.8520 299.2001 -161756.6961 -109334.3206 298.8335 -92.1023 -61.5622 760613.8892 -5.6308 -5.6144 PRESSURE: 841200 -191.584 -42.6206 140.275 -42.621 -359.131 -82.4168 140.275 -82.417 112.43 GPRESSURE: 841200 -226.709 -74.9094 99.4084 -19.2863 -267.03 -20.1724 237.283 -4.12046 126.419 PRESSAVG: 841200 6.70194 -12.6019 44.5255 -12.6019 -19.7645 -26.8279 44.5255 -26.8279 -0.15137 GPRESSAVG: 841200 6.86272 -15.0248 44.8798 -11.8392 -19.3789 -25.7703 45.433 -27.6943 -0.58261 TIMING: 841200 CPU: 2657.14, 0.00319218/step Wall: 2657.14, 0.00319218/step, 3.68768 hours remaining, 235.964844 MB of memory in use. ENERGY: 841200 3983.3845 20488.7113 14452.2016 248.0925 -203250.3036 2514.5035 0.0000 0.0000 51994.3791 -109569.0310 298.8124 -161563.4101 -109217.5878 299.3046 -146.0953 -122.4399 761262.6333 -4.4046 -4.3663 PRESSURE: 841400 482.63 108.443 -79.4797 108.444 310.731 106.389 -79.4807 106.389 12.1656 GPRESSURE: 841400 450.502 48.2739 -118.287 146.189 401.74 37.6463 -71.3498 148.56 26.3804 PRESSAVG: 841400 45.114 2.36378 -16.8267 2.36384 -15.9437 31.3751 -16.8267 31.3751 -4.839 GPRESSAVG: 841400 44.3889 4.11745 -16.5063 1.56501 -13.8815 31.4198 -15.9537 31.4628 -6.14377 TIMING: 841400 CPU: 2657.79, 0.00326052/step Wall: 2657.79, 0.00326052/step, 3.76644 hours remaining, 235.964844 MB of memory in use. ENERGY: 841400 3984.3834 20598.9634 14491.1514 240.4355 -203679.1015 2759.7168 0.0000 0.0000 51933.0141 -109671.4370 298.4597 -161604.4511 -109313.2608 298.8483 268.5090 292.8742 759573.6526 8.1104 8.1212 PRESSURE: 841600 -72.1943 -62.9287 113.969 -62.9285 -292.158 -115.788 113.969 -115.789 37.697 GPRESSURE: 841600 -96.8375 -40.9597 163.947 -165.556 -205.681 -16.0774 59.4007 -118.268 62.9808 PRESSAVG: 841600 -16.713 14.1405 43.6423 14.1405 53.3029 -11.9245 43.6423 -11.9245 3.4022 GPRESSAVG: 841600 -16.8334 13.7009 43.8603 14.6708 51.6454 -12.5764 43.9455 -10.3339 4.82554 TIMING: 841600 CPU: 2658.43, 0.00321591/step Wall: 2658.43, 0.00321591/step, 3.71474 hours remaining, 235.964844 MB of memory in use. ENERGY: 841600 3970.5035 20508.1325 14433.3026 254.9109 -203109.5386 2327.7967 0.0000 0.0000 51841.9562 -109772.9362 297.9364 -161614.8924 -109411.8698 298.8634 -108.8853 -79.8460 760957.3704 13.3307 13.2125 PRESSURE: 841800 -193.337 -67.6435 131.681 -67.6427 111.628 125.185 131.681 125.186 -7.95146 GPRESSURE: 841800 -149.588 -147.871 73.6635 26.4466 119.755 96.8045 45.7552 96.3674 21.144 PRESSAVG: 841800 -17.8394 -24.0059 46.2193 -24.0059 -15.2061 11.1818 46.2193 11.1817 14.8722 GPRESSAVG: 841800 -17.7204 -25.9215 43.617 -23.063 -15.7107 10.4203 47.2705 11.4492 15.1767 TIMING: 841800 CPU: 2659.07, 0.00317809/step Wall: 2659.07, 0.00317809/step, 3.67087 hours remaining, 235.964844 MB of memory in use. ENERGY: 841800 4045.9151 20599.4829 14383.0975 247.5980 -203737.7434 2724.3597 0.0000 0.0000 52123.5531 -109613.7372 299.5548 -161737.2903 -109252.4208 299.1219 -29.8868 -2.8964 760816.0067 -6.0578 -6.0848 PRESSURE: 842000 -92.696 -73.5092 -116.936 -73.5095 -89.264 185.359 -116.937 185.359 -790.549 GPRESSURE: 842000 -49.3039 -63.5432 -109.853 -24.574 -123.185 127.577 49.0131 237.438 -701.368 PRESSAVG: 842000 -13.9967 6.28858 21.9507 6.28862 1.32116 23.0819 21.9507 23.0818 6.03899 GPRESSAVG: 842000 -13.6757 7.47253 23.0737 6.57187 0.945799 23.6968 20.7361 21.7663 6.99932 TIMING: 842000 CPU: 2659.71, 0.00319258/step Wall: 2659.71, 0.00319258/step, 3.68743 hours remaining, 235.964844 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: 842000 4059.0456 20665.5677 14461.5801 234.0615 -203759.1973 2686.9214 0.0000 0.0000 51973.4569 -109678.5642 298.6922 -161652.0211 -109327.4999 299.2083 -324.1696 -291.2858 761237.2335 -2.2122 -1.9102 PRESSURE: 842200 -688.528 42.8301 74.0574 42.8298 -27.0366 -265.303 74.0578 -265.304 -69.706 GPRESSURE: 842200 -654.435 53.7559 24.3451 56.088 -15.3752 -321.997 40.7473 -119.14 -45.2675 PRESSAVG: 842200 -37.2195 26.8732 -27.6758 26.8732 -27.3735 -2.88567 -27.6758 -2.88567 5.5831 GPRESSAVG: 842200 -36.2364 27.2946 -26.2458 27.7216 -27.2524 -2.6814 -26.6347 -2.46345 4.58782 TIMING: 842200 CPU: 2660.34, 0.00317997/step Wall: 2660.34, 0.00317997/step, 3.67269 hours remaining, 235.964844 MB of memory in use. ENERGY: 842200 4023.2695 20570.0067 14509.3056 238.6489 -203198.1437 2315.2426 0.0000 0.0000 52014.2652 -109527.4052 298.9267 -161541.6704 -109165.3169 299.3328 -261.7570 -238.3594 760106.6615 -19.6700 -19.6337 PRESSURE: 842400 262.996 15.4571 -86.9054 15.4579 112.788 86.3258 -86.9057 86.3255 13.9314 GPRESSURE: 842400 216.704 15.3202 -76.9768 -51.3846 166.315 110.567 -1.19414 -41.5734 73.9891 PRESSAVG: 842400 7.68632 20.494 -7.11943 20.494 2.23024 1.45786 -7.11948 1.45789 -13.9796 GPRESSAVG: 842400 6.36467 21.0879 -8.61342 16.081 3.53859 2.28939 -8.95048 1.27032 -13.6374 TIMING: 842400 CPU: 2660.98, 0.00319549/step Wall: 2660.98, 0.00319549/step, 3.69044 hours remaining, 235.964844 MB of memory in use. ENERGY: 842400 4020.9027 20581.9582 14441.0334 237.7271 -203226.7104 2434.4727 0.0000 0.0000 51854.1373 -109656.4789 298.0064 -161510.6162 -109298.1073 298.9753 129.9051 152.3361 758628.1231 -1.3543 -1.2447 PRESSURE: 842600 -266.879 237.917 142.083 237.918 125.514 -129.556 142.084 -129.555 -114.213 GPRESSURE: 842600 -157.541 154.83 150.484 184.72 106.106 -109.858 125.554 18.9493 -115.897 PRESSAVG: 842600 38.6758 -51.3111 -7.25651 -51.3111 9.63485 -55.5569 -7.25647 -55.557 1.52899 GPRESSAVG: 842600 40.2564 -51.7022 -6.68052 -47.2517 9.85241 -56.2755 -6.24555 -55.8056 0.436489 TIMING: 842600 CPU: 2661.62, 0.00318681/step Wall: 2661.62, 0.00318681/step, 3.68023 hours remaining, 235.964844 MB of memory in use. ENERGY: 842600 3978.5304 20570.1900 14402.8500 246.1562 -203040.2138 2330.9106 0.0000 0.0000 51832.6582 -109678.9183 297.8830 -161511.5766 -109327.3036 298.8905 -85.1928 -55.7776 759579.2820 16.6132 16.8484 PRESSURE: 842800 293.387 221.35 -38.4156 221.349 30.6524 165.283 -38.4155 165.282 -100.811 GPRESSURE: 842800 296.213 90.1888 -78.6005 236.413 100.15 173.469 64.0643 162.441 -97.6998 PRESSAVG: 842800 43.8079 21.8935 4.42209 21.8935 -41.8863 -40.3639 4.4221 -40.364 -7.06738 GPRESSAVG: 842800 43.2641 20.7352 3.71527 18.9745 -42.4636 -40.0441 5.2962 -38.3327 -6.18421 TIMING: 842800 CPU: 2662.26, 0.00319024/step Wall: 2662.26, 0.00319024/step, 3.68402 hours remaining, 235.964844 MB of memory in use. ENERGY: 842800 3990.5681 20453.2594 14449.8422 249.2962 -203680.8384 2816.9269 0.0000 0.0000 51944.0257 -109776.9198 298.5230 -161720.9455 -109421.5820 298.3907 74.4093 99.5543 759219.0227 -1.7153 -1.7946 PRESSURE: 843000 -101.521 -101.114 20.319 -101.114 109.951 -58.2955 20.3186 -58.2955 -480.466 GPRESSURE: 843000 -119.278 -54.8411 61.5949 -71.1214 133.765 -61.9932 -43.2196 11.458 -404.934 PRESSAVG: 843000 35.8166 50.3394 55.2634 50.3395 -29.8173 -28.1863 55.2634 -28.1862 6.14464 GPRESSAVG: 843000 34.8222 49.1838 55.6763 52.6841 -29.6012 -27.7641 55.3824 -31.1703 6.51179 TIMING: 843000 CPU: 2662.89, 0.00318416/step Wall: 2662.89, 0.00318416/step, 3.67682 hours remaining, 235.964844 MB of memory in use. ENERGY: 843000 4037.6990 20376.5145 14513.9738 229.2109 -203474.5389 2527.3142 0.0000 0.0000 52083.9498 -109705.8767 299.3272 -161789.8265 -109339.1450 298.7837 -157.3455 -130.1489 759821.0218 4.0480 3.9109 PRESSURE: 843200 -333.948 -215.268 -263.943 -215.269 -136.293 -78.3434 -263.944 -78.3432 -145.177 GPRESSURE: 843200 -279.09 -210.499 -332.891 -139.319 -159.6 -66.1177 -154.076 -38.8027 -76.6905 PRESSAVG: 843200 21.965 -7.13591 -1.85444 -7.13591 -2.05809 -32.0967 -1.85442 -32.0968 34.1686 GPRESSAVG: 843200 22.7184 -5.45466 -3.11205 -8.43286 -2.89018 -31.5068 -2.10889 -32.8101 34.2547 TIMING: 843200 CPU: 2663.53, 0.00318666/step Wall: 2663.53, 0.00318666/step, 3.67953 hours remaining, 235.964844 MB of memory in use. ENERGY: 843200 4043.0586 20527.4895 14469.8288 240.9254 -203418.2863 2437.2435 0.0000 0.0000 52073.6098 -109626.1307 299.2678 -161699.7405 -109259.2019 298.8734 -205.1394 -171.7934 760284.7162 18.0252 18.0276 PRESSURE: 843400 -21.7591 42.9578 -271.702 42.9577 66.0022 -58.9286 -271.702 -58.9292 -87.6974 GPRESSURE: 843400 -36.3385 38.0876 -312.004 9.21863 226.107 -174.639 -154.524 -48.0712 -161.426 PRESSAVG: 843400 17.5651 18.7462 10.3379 18.7462 -8.20632 -2.30675 10.3378 -2.30668 2.0811 GPRESSAVG: 843400 18.153 19.2681 11.1544 18.478 -7.26707 -2.7096 8.35832 0.202369 0.960289 TIMING: 843400 CPU: 2664.16, 0.00316617/step Wall: 2664.16, 0.00316617/step, 3.6557 hours remaining, 235.964844 MB of memory in use. ENERGY: 843400 3999.4894 20622.7752 14548.0914 254.6173 -203614.7847 2806.3086 0.0000 0.0000 51707.9232 -109675.5796 297.1661 -161383.5028 -109320.8770 298.7220 -14.4848 9.4474 761647.4994 3.8133 3.9487 PRESSURE: 843600 -198.115 -121.441 112.024 -121.44 100.137 81.422 112.024 81.4208 169.332 GPRESSURE: 843600 -133.637 -126.508 246.363 -11.2449 190.504 155.002 125.758 15.934 91.5292 PRESSAVG: 843600 19.5921 7.78629 -3.2043 7.78634 -6.46174 1.15059 -3.20433 1.15057 8.67971 GPRESSAVG: 843600 19.3581 7.81536 -2.67925 8.47856 -5.93218 2.10402 -0.51508 1.28419 8.02315 TIMING: 843600 CPU: 2664.8, 0.00319197/step Wall: 2664.8, 0.00319197/step, 3.6853 hours remaining, 235.964844 MB of memory in use. ENERGY: 843600 3967.8497 20409.8849 14417.5627 258.3676 -203625.2476 2826.2861 0.0000 0.0000 51903.9474 -109841.3491 298.2927 -161745.2965 -109472.9726 298.3920 23.7846 49.4654 760015.5716 7.2700 7.1497 PRESSURE: 843800 -51.1164 279.726 28.0943 279.726 -184.642 89.3553 28.0943 89.355 -254.311 GPRESSURE: 843800 32.8711 135.964 8.19244 187.425 -120.917 108.995 112.379 9.2188 -323.548 PRESSAVG: 843800 25.6705 7.42159 -6.16093 7.42157 -28.383 -10.387 -6.16097 -10.387 -15.7028 GPRESSAVG: 843800 26.013 6.66775 -6.60265 6.82716 -29.3353 -10.7823 -5.6895 -9.02594 -14.5713 TIMING: 843800 CPU: 2665.44, 0.00317249/step Wall: 2665.44, 0.00317249/step, 3.66264 hours remaining, 235.964844 MB of memory in use. ENERGY: 843800 4019.9606 20315.1723 14458.0029 239.5419 -203172.1560 2389.4538 0.0000 0.0000 51963.8922 -109786.1323 298.6372 -161750.0245 -109421.3209 298.5969 -163.3562 -137.1977 762163.2191 -6.1385 -5.9645 PRESSURE: 844000 -2.6491 -75.8081 -6.59681 -75.8086 56.1841 20.6146 -6.59632 20.6147 16.275 GPRESSURE: 844000 75.7404 -91.2954 -154.394 -103.078 87.8148 55.2885 -66.6952 124.958 -0.713001 PRESSAVG: 844000 5.92798 67.1788 11.1845 67.1788 -13.5676 -2.19732 11.1845 -2.19726 9.06904 GPRESSAVG: 844000 5.75812 68.4607 11.0408 66.8869 -14.2387 -3.22104 8.32707 -4.38416 9.72995 TIMING: 844000 CPU: 2666.07, 0.00318638/step Wall: 2666.07, 0.00318638/step, 3.6785 hours remaining, 235.964844 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: 844000 3896.9419 20550.9835 14504.7299 264.9923 -203549.6954 2735.4974 0.0000 0.0000 51831.3731 -109765.1772 297.8756 -161596.5503 -109405.2497 298.5490 23.2700 54.2807 761494.1480 0.4765 0.4165 PRESSURE: 844200 -60.993 113.665 13.8379 113.665 -190.066 68.2287 13.8386 68.2283 -222.201 GPRESSURE: 844200 -19.8478 47.6894 14.8815 133.882 -220.778 76.1848 12.8807 117.639 -170.652 PRESSAVG: 844200 37.4892 4.88708 -31.7375 4.88707 -2.15313 9.20218 -31.7374 9.20217 4.48256 GPRESSAVG: 844200 36.0714 2.31075 -32.469 6.97839 -1.05967 10.0566 -29.127 9.04971 4.13274 TIMING: 844200 CPU: 2666.71, 0.00319646/step Wall: 2666.71, 0.00319646/step, 3.68996 hours remaining, 235.964844 MB of memory in use. ENERGY: 844200 4018.1875 20401.7178 14448.4043 255.5554 -203778.6118 2747.8679 0.0000 0.0000 51945.0443 -109961.8347 298.5289 -161906.8790 -109604.5744 298.3240 -157.7535 -137.0926 760632.7409 13.2729 13.0482 LDB: ============= START OF LOAD BALANCING ============== 2679.17 LDB: ============== END OF LOAD BALANCING =============== 2679.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2679.17 LDB: ============= START OF LOAD BALANCING ============== 2679.49 LDB: Largest compute 7034 load 0.037534 is 19.2% of average load 0.194991 LDB: Average compute 0.004404 is 2.3% of average load 0.194991 LDB: TIME 2679.5 LOAD: AVG 0.194991 MAX 0.215216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.785 MB LDB: TIME 2679.5 LOAD: AVG 0.194991 MAX 0.215216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: TIME 2679.5 LOAD: AVG 0.194991 MAX 0.215216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: ============== END OF LOAD BALANCING =============== 2679.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2679.5 PRESSURE: 844400 218.079 0.397291 93.0182 0.396396 323.783 56.646 93.0185 56.6468 -113.682 GPRESSURE: 844400 153.832 -11.8182 -43.3756 81.5703 428.085 89.5872 115.225 72.5733 -87.5532 PRESSAVG: 844400 19.027 -6.23246 7.92616 -6.23254 -15.5766 -2.20881 7.92621 -2.20887 -21.062 GPRESSAVG: 844400 19.4373 -5.8341 7.88088 -8.23024 -16.7789 -2.27164 7.83856 -0.67687 -20.2452 TIMING: 844400 CPU: 2667.37, 0.0032715/step Wall: 2667.37, 0.0032715/step, 3.7764 hours remaining, 238.078125 MB of memory in use. ENERGY: 844400 3896.5237 20525.5681 14423.7107 254.4856 -203856.8611 2756.9106 0.0000 0.0000 52134.7438 -109864.9186 299.6191 -161999.6623 -109498.1415 298.0394 142.7265 164.7879 759540.0007 -5.8705 -5.8623 PRESSURE: 844600 221.634 -54.6546 126.5 -54.6546 101.158 95.7697 126.5 95.77 615.223 GPRESSURE: 844600 244.535 -71.8836 87.3855 -39.8741 185.26 74.2907 184.475 40.2956 592.922 PRESSAVG: 844600 -15.6724 -49.826 -20.9026 -49.826 30.6362 -12.4031 -20.9026 -12.403 -15.3168 GPRESSAVG: 844600 -15.4518 -49.8334 -20.3151 -48.4695 31.1196 -13.3724 -21.8503 -14.1963 -16.4572 TIMING: 844600 CPU: 2668, 0.00316263/step Wall: 2668, 0.00316263/step, 3.65055 hours remaining, 238.148438 MB of memory in use. ENERGY: 844600 3919.7876 20295.4775 14413.1724 257.9265 -203422.2910 2646.0765 0.0000 0.0000 52141.5720 -109748.2786 299.6583 -161889.8505 -109379.5867 298.7422 312.6717 340.9057 759953.2305 -0.1177 -0.2631 PRESSURE: 844800 -265.331 -90.2452 -25.7039 -90.2449 98.5547 47.5595 -25.7038 47.5582 -151.276 GPRESSURE: 844800 -194.889 39.8185 -79.1512 34.3818 51.4103 24.647 -101.758 45.9863 -82.5349 PRESSAVG: 844800 -13.8028 -4.42814 1.39311 -4.4282 15.3962 -8.53377 1.3931 -8.53374 27.3848 GPRESSAVG: 844800 -13.6619 -4.11295 1.19574 -4.04547 16.2104 -9.01698 0.364326 -9.66348 26.6866 TIMING: 844800 CPU: 2668.64, 0.00321256/step Wall: 2668.64, 0.00321256/step, 3.70801 hours remaining, 238.148438 MB of memory in use. ENERGY: 844800 4041.7033 20522.3718 14505.3865 258.7471 -203490.0779 2346.4029 0.0000 0.0000 52064.6159 -109750.8505 299.2161 -161815.4663 -109385.3145 299.0957 -106.0175 -75.3378 760015.3686 9.6594 9.7451 PRESSURE: 845000 337.214 141.068 -51.5488 141.067 9.80806 -249.979 -51.5489 -249.979 230.23 GPRESSURE: 845000 349.342 201.269 -101.079 174.201 50.8591 -98.6878 49.6289 -228.342 261.993 PRESSAVG: 845000 32.69 31.2435 -32.4417 31.2434 -24.6664 -12.116 -32.4417 -12.116 9.01912 GPRESSAVG: 845000 32.9741 33.7808 -34.3253 29.4775 -24.5514 -9.96658 -29.288 -10.456 9.02872 TIMING: 845000 CPU: 2669.28, 0.00319658/step Wall: 2669.28, 0.00319658/step, 3.68938 hours remaining, 238.148438 MB of memory in use. ENERGY: 845000 3877.4202 20690.3923 14464.1730 237.4280 -203807.8997 2813.8423 0.0000 0.0000 52054.5821 -109670.0619 299.1584 -161724.6440 -109306.0608 298.8056 192.4170 220.7314 760378.0881 5.6809 5.8171 PRESSURE: 845200 173.015 114.166 51.4309 114.166 218.33 131.052 51.4314 131.052 513.016 GPRESSURE: 845200 157.658 73.1313 48.1907 63.3137 331.739 148.744 19.5297 88.0171 513.131 PRESSAVG: 845200 -4.56893 -30.656 -24.8933 -30.6561 -27.4414 -19.6056 -24.8933 -19.6055 6.9689 GPRESSAVG: 845200 -5.85296 -32.3337 -22.3255 -28.8351 -27.4368 -19.6552 -29.0199 -20.3328 8.04055 TIMING: 845200 CPU: 2669.93, 0.00322172/step Wall: 2669.93, 0.00322172/step, 3.71822 hours remaining, 238.148438 MB of memory in use. ENERGY: 845200 3923.2499 20487.4633 14455.8353 247.5469 -203680.1020 2853.1188 0.0000 0.0000 52128.4406 -109584.4472 299.5829 -161712.8878 -109206.6905 298.8767 301.4535 334.1759 760593.2115 -8.3471 -8.4164 PRESSURE: 845400 -549.098 -29.1562 179.027 -29.1558 -498.807 32.3404 179.028 32.3394 238.914 GPRESSURE: 845400 -461.139 7.94215 82.6468 -16.3629 -454.748 66.1317 154.747 85.2299 203.664 PRESSAVG: 845400 3.92528 -18.8808 19.7273 -18.8808 5.97008 -32.86 19.7273 -32.86 12.1298 GPRESSAVG: 845400 5.81901 -19.2077 20.0468 -19.8427 5.37587 -34.0157 19.8429 -31.9087 10.543 TIMING: 845400 CPU: 2670.56, 0.00318439/step Wall: 2670.56, 0.00318439/step, 3.67496 hours remaining, 238.148438 MB of memory in use. ENERGY: 845400 3974.9234 20467.0109 14507.7369 249.1697 -203069.0035 2258.6126 0.0000 0.0000 52020.7958 -109590.7541 298.9642 -161611.5499 -109219.3475 298.8867 -269.6634 -237.4078 761836.9256 7.3417 7.2460 PRESSURE: 845600 23.3678 67.2222 26.1738 67.222 332.302 49.7973 26.1732 49.7977 -249.362 GPRESSURE: 845600 -17.3467 4.15485 -49.6767 102.856 387.853 67.7939 68.8629 -14.6604 -185.229 PRESSAVG: 845600 -11.6092 -54.6056 12.079 -54.6056 27.1186 13.7798 12.0789 13.7798 -8.64282 GPRESSAVG: 845600 -12.0239 -54.8911 13.2799 -54.5379 26.1511 13.8342 12.0371 13.6873 -7.86168 TIMING: 845600 CPU: 2671.22, 0.00327527/step Wall: 2671.22, 0.00327527/step, 3.77966 hours remaining, 238.148438 MB of memory in use. ENERGY: 845600 4011.2322 20566.0669 14555.8587 241.9523 -203662.3864 2690.2064 0.0000 0.0000 52023.7194 -109573.3507 298.9810 -161597.0700 -109214.6967 299.4823 35.4360 61.7591 760645.0669 2.2888 2.0885 PRESSURE: 845800 49.4952 153.461 -83.2224 153.462 -254.718 -108.963 -83.2228 -108.963 -118.725 GPRESSURE: 845800 59.7437 151.542 -68.9483 75.6333 -187.9 -75.1313 -88.82 -52.913 -103.383 PRESSAVG: 845800 49.6395 -11.2969 22.607 -11.2969 -13.3856 7.10147 22.607 7.10153 19.2538 GPRESSAVG: 845800 47.4711 -10.9755 18.3474 -11.9008 -12.5942 7.71977 25.0224 8.6735 20.2149 TIMING: 845800 CPU: 2671.86, 0.0032102/step Wall: 2671.86, 0.0032102/step, 3.70439 hours remaining, 238.148438 MB of memory in use. ENERGY: 845800 4048.4951 20584.5956 14562.9437 257.0546 -203571.0090 2710.9310 0.0000 0.0000 52013.0130 -109393.9760 298.9195 -161406.9889 -109026.6000 298.9483 -107.9829 -77.1796 762075.5840 18.5025 18.3639 PRESSURE: 846000 -126.209 -27.8849 187.418 -27.8848 117.436 69.4001 187.419 69.4008 -213.959 GPRESSURE: 846000 26.9958 -68.9899 186.907 90.9104 51.9402 131.339 68.6137 28.4541 -230.887 PRESSAVG: 846000 42.7485 -18.2762 37.97 -18.2762 -11.8207 -37.9304 37.97 -37.9303 11.8798 GPRESSAVG: 846000 44.1682 -20.4229 41.9243 -17.3619 -12.7359 -38.0021 35.7816 -39.8193 11.3766 TIMING: 846000 CPU: 2672.5, 0.00317895/step Wall: 2672.5, 0.00317895/step, 3.66816 hours remaining, 238.148438 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: 846000 3969.7965 20472.7314 14519.2330 267.8022 -203404.0722 2610.6216 0.0000 0.0000 52133.1728 -109430.7148 299.6101 -161563.8876 -109071.5237 298.9273 -74.2440 -50.6502 762239.7014 14.2692 14.2696 PRESSURE: 846200 -97.1343 102.372 159.388 102.372 -314.432 -48.5489 159.387 -48.5496 -415.799 GPRESSURE: 846200 -76.3975 86.9618 188.391 83.7062 -262.412 60.4438 82.1703 -79.9084 -399.221 PRESSAVG: 846200 -5.25988 -13.8929 15.2921 -13.8928 24.8449 6.00911 15.2921 6.00904 8.32256 GPRESSAVG: 846200 -5.02396 -12.3431 14.5789 -14.0827 25.5021 5.82645 15.521 8.03727 7.67541 TIMING: 846200 CPU: 2673.13, 0.00315633/step Wall: 2673.13, 0.00315633/step, 3.64188 hours remaining, 238.148438 MB of memory in use. ENERGY: 846200 3968.3575 20357.8648 14481.8572 232.9711 -203418.4426 2550.3467 0.0000 0.0000 52096.0545 -109730.9908 299.3967 -161827.0453 -109355.5924 298.8661 -275.7884 -246.0101 763094.6033 9.3025 9.3845 PRESSURE: 846400 -105.498 56.9043 -24.4633 56.9056 -62.5017 110.378 -24.4631 110.378 263.367 GPRESSURE: 846400 -67.6578 26.1588 -33.4646 45.6298 20.9611 49.1826 -120.041 -1.44959 245.181 PRESSAVG: 846400 50.8341 30.2282 5.27657 30.2283 -12.3388 6.47457 5.27664 6.47449 -2.88167 GPRESSAVG: 846400 49.4697 31.0134 4.33837 30.4017 -11.6207 6.18748 6.55255 2.84986 -2.26637 TIMING: 846400 CPU: 2673.77, 0.00320149/step Wall: 2673.77, 0.00320149/step, 3.69381 hours remaining, 238.148438 MB of memory in use. ENERGY: 846400 4042.4979 20417.8468 14501.1329 237.5308 -203509.0353 2607.7963 0.0000 0.0000 51810.0298 -109892.2009 297.7530 -161702.2307 -109529.0253 298.2020 31.7891 66.1615 760917.2709 11.8712 11.8609 PRESSURE: 846600 -132.53 -8.45501 66.6667 -8.45436 -150.63 128.043 66.6666 128.044 -72.1763 GPRESSURE: 846600 -38.7216 -54.0494 104.892 42.6797 -180.836 142.828 83.3672 147.312 -38.4998 PRESSAVG: 846600 33.949 29.2708 -20.0719 29.2708 -30.504 46.5278 -20.0719 46.5279 18.699 GPRESSAVG: 846600 36.459 30.4124 -20.3783 28.1822 -31.1999 47.5889 -21.343 49.159 17.2576 TIMING: 846600 CPU: 2674.4, 0.00318166/step Wall: 2674.4, 0.00318166/step, 3.67075 hours remaining, 238.148438 MB of memory in use. ENERGY: 846600 3954.5027 20426.8927 14461.3697 245.2274 -203724.9355 2725.4788 0.0000 0.0000 51822.5981 -110088.8662 297.8252 -161911.4643 -109723.8606 298.1067 -118.4454 -86.0193 762796.6606 7.3813 7.5056 PRESSURE: 846800 -255.366 -149.684 284.958 -149.684 -758.923 -76.6719 284.958 -76.6716 -412.778 GPRESSURE: 846800 -271.619 -107.129 314.275 -154.854 -760.394 -36.3251 216.402 -39.5355 -319.162 PRESSAVG: 846800 42.57 -63.1594 36.8983 -63.1593 -52.8187 55.7304 36.8983 55.7303 -26.3464 GPRESSAVG: 846800 40.4486 -65.1364 39.6352 -60.924 -51.4691 55.3274 36.5506 53.7385 -25.2312 TIMING: 846800 CPU: 2675.04, 0.00318862/step Wall: 2675.04, 0.00318862/step, 3.6786 hours remaining, 238.148438 MB of memory in use. ENERGY: 846800 3978.7292 20550.1192 14507.1956 242.0503 -203337.6494 2187.3811 0.0000 0.0000 51800.2660 -110071.9080 297.6968 -161872.1740 -109719.0586 297.9683 -475.6889 -450.3917 759586.6395 -12.1984 -12.0839 PRESSURE: 847000 -179.766 -119.051 -1.65339 -119.051 -25.756 81.9017 -1.65248 81.902 396.53 GPRESSURE: 847000 -47.7253 -88.4206 28.9931 19.4132 -41.6147 -23.5893 127.079 62.5192 361.055 PRESSAVG: 847000 19.5251 -24.5313 -5.96891 -24.5314 1.53132 -13.9214 -5.9689 -13.9214 0.471367 GPRESSAVG: 847000 21.9478 -21.4276 -5.37829 -26.4229 -0.431535 -16.2412 -3.81246 -11.8956 0.0638647 TIMING: 847000 CPU: 2675.68, 0.00316876/step Wall: 2675.68, 0.00316876/step, 3.65552 hours remaining, 238.148438 MB of memory in use. ENERGY: 847000 3969.9665 20505.0134 14480.6147 249.9907 -203861.8534 2783.9079 0.0000 0.0000 51841.7613 -110030.5989 297.9353 -161872.3602 -109671.3912 298.2557 63.6694 90.5716 757874.0372 7.1759 7.1934 PRESSURE: 847200 22.2436 -75.2429 -29.9883 -75.2427 -40.2318 124.171 -29.9879 124.171 -127.007 GPRESSURE: 847200 -6.24729 61.9121 -77.2913 -79.1428 16.9845 49.3821 -66.8401 164.619 -64.8028 PRESSAVG: 847200 52.996 -36.7339 -20.6738 -36.7338 -33.1652 61.2005 -20.6738 61.2005 -9.66385 GPRESSAVG: 847200 50.9569 -38.5296 -22.7605 -36.6462 -31.0206 64.6023 -19.6141 60.1208 -9.07316 TIMING: 847200 CPU: 2676.31, 0.00318596/step Wall: 2676.31, 0.00318596/step, 3.67518 hours remaining, 238.148438 MB of memory in use. ENERGY: 847200 4028.1442 20483.7544 14437.8909 244.0844 -203613.7474 2732.0829 0.0000 0.0000 51784.8767 -109902.9139 297.6084 -161687.7906 -109537.3877 298.1900 -48.3319 -18.0219 760515.1794 3.3890 3.6211 PRESSURE: 847400 35.8324 -82.2776 56.3005 -82.2775 -287.845 -21.5568 56.3009 -21.558 -583.842 GPRESSURE: 847400 29.1128 -72.9239 62.3164 -77.8897 -224.133 -57.8492 -125.931 26.6385 -540.73 PRESSAVG: 847400 -8.92629 -1.13941 -7.79788 -1.13939 8.96966 49.1342 -7.79787 49.1342 8.74278 GPRESSAVG: 847400 -9.20186 -2.31067 -6.80018 -0.691952 9.63361 47.2275 -12.0802 47.4932 8.30508 TIMING: 847400 CPU: 2676.95, 0.0031875/step Wall: 2676.95, 0.0031875/step, 3.67678 hours remaining, 238.148438 MB of memory in use. ENERGY: 847400 4137.4181 20411.1889 14526.0507 241.9561 -203261.6066 2594.8662 0.0000 0.0000 51580.1145 -109770.0121 296.4316 -161350.1265 -109417.5294 298.5617 -278.6181 -245.2501 760580.6172 2.9287 2.9123 PRESSURE: 847600 -316.522 65.6698 -44.0421 65.67 -30.793 281.007 -44.042 281.007 -296.95 GPRESSURE: 847600 -329.545 70.0995 -102.427 156.8 -54.9253 308.724 12.1907 207.855 -167.559 PRESSAVG: 847600 -1.17418 -55.8838 -24.2846 -55.8838 -26.0226 15.1485 -24.2846 15.1485 25.9532 GPRESSAVG: 847600 0.918908 -55.2507 -24.7344 -55.3834 -27.7803 16.1028 -22.4404 16.0401 25.4095 TIMING: 847600 CPU: 2677.59, 0.0031855/step Wall: 2677.59, 0.0031855/step, 3.6743 hours remaining, 238.148438 MB of memory in use. ENERGY: 847600 4003.2041 20786.1714 14442.5266 226.6008 -203489.0949 2468.7890 0.0000 0.0000 51801.5854 -109760.2176 297.7044 -161561.8030 -109409.8901 298.7306 -214.7548 -184.0099 760806.8321 -0.4145 -0.4839 PRESSURE: 847800 219.919 -6.57374 415.494 -6.57263 61.5495 86.5695 415.494 86.5702 161.158 GPRESSURE: 847800 255.47 -132.146 332.876 -80.8595 73.9711 2.31304 337.18 139.438 187.491 PRESSAVG: 847800 -21.9905 28.2158 30.4677 28.2158 39.515 14.6732 30.4677 14.6733 17.9154 GPRESSAVG: 847800 -23.3295 28.8508 29.3478 27.5688 39.9614 14.0684 30.8351 15.6532 18.6867 TIMING: 847800 CPU: 2678.23, 0.00319459/step Wall: 2678.23, 0.00319459/step, 3.68461 hours remaining, 238.148438 MB of memory in use. ENERGY: 847800 3925.7655 20546.9500 14474.4013 250.9200 -203137.9086 2519.8524 0.0000 0.0000 51899.0107 -109521.0085 298.2643 -161420.0193 -109165.7483 299.1544 147.5423 172.3108 759242.2067 11.8133 11.7729 PRESSURE: 848000 -302.246 9.57385 -58.0623 9.57294 -228.316 48.1693 -58.0627 48.1699 128.902 GPRESSURE: 848000 -246.844 166.618 -82.0858 89.5033 -176.373 -0.203845 -195.741 -12.7617 112.016 PRESSAVG: 848000 -17.35 61.235 -5.67633 61.2351 22.1072 -11.4185 -5.67637 -11.4184 -23.1311 GPRESSAVG: 848000 -17.3362 60.2413 -5.04273 61.8243 21.8439 -11.5025 -5.24763 -10.7998 -23.2074 TIMING: 848000 CPU: 2678.86, 0.00317907/step Wall: 2678.86, 0.00317907/step, 3.66652 hours remaining, 238.148438 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: 848000 3978.1726 20364.7465 14492.2061 231.9345 -202867.5375 2302.0761 0.0000 0.0000 51974.9463 -109523.4554 298.7007 -161498.4017 -109164.4504 298.5397 -133.8867 -103.7341 762627.6023 -6.1246 -6.2332 PRESSURE: 848200 44.7959 254.057 -93.8738 254.057 -256.889 56.4914 -93.8736 56.4916 338.348 GPRESSURE: 848200 175.728 195.522 -41.4245 352.708 -245.35 42.5439 -21.5989 40.6191 295.81 PRESSAVG: 848200 4.15515 5.85179 -42.6918 5.85186 1.6484 40.0085 -42.6918 40.0086 12.0868 GPRESSAVG: 848200 3.78948 5.87011 -41.8643 5.47319 2.60008 38.5707 -43.8529 38.5268 11.9254 TIMING: 848200 CPU: 2679.5, 0.00318024/step Wall: 2679.5, 0.00318024/step, 3.6677 hours remaining, 238.148438 MB of memory in use. ENERGY: 848200 3929.7018 20384.9064 14486.0751 257.1443 -203215.9550 2536.6101 0.0000 0.0000 52175.5961 -109445.9213 299.8539 -161621.5174 -109087.9555 298.7029 42.0850 75.3957 761154.4231 5.9635 6.1050 LDB: ============= START OF LOAD BALANCING ============== 2691.95 LDB: ============== END OF LOAD BALANCING =============== 2691.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2691.95 LDB: ============= START OF LOAD BALANCING ============== 2692.27 LDB: Largest compute 7065 load 0.036667 is 18.8% of average load 0.194996 LDB: Average compute 0.004394 is 2.3% of average load 0.194996 LDB: TIME 2692.27 LOAD: AVG 0.194996 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.758 MB LDB: TIME 2692.27 LOAD: AVG 0.194996 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: TIME 2692.27 LOAD: AVG 0.194996 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: ============== END OF LOAD BALANCING =============== 2692.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2692.28 PRESSURE: 848400 47.1631 53.2657 -3.45434 53.2661 89.1463 107.311 -3.45465 107.312 78.827 GPRESSURE: 848400 -1.96115 25.977 61.1368 112.242 144.49 169.591 0.363328 162.195 148.286 PRESSAVG: 848400 -19.4343 5.26717 -20.7348 5.2672 8.08401 30.0232 -20.7348 30.0233 7.50289 GPRESSAVG: 848400 -18.9736 6.07616 -20.7438 5.38467 7.32652 31.9753 -19.5448 29.7213 7.82602 TIMING: 848400 CPU: 2680.15, 0.00323999/step Wall: 2680.15, 0.00323999/step, 3.73643 hours remaining, 237.816406 MB of memory in use. ENERGY: 848400 3942.7184 20516.9038 14483.8706 255.8743 -203274.5961 2606.5766 0.0000 0.0000 52117.1346 -109351.5177 299.5179 -161468.6523 -108979.3178 299.2485 71.7121 96.9382 762129.4076 -1.2825 -1.2737 PRESSURE: 848600 74.4647 -24.54 -121.773 -24.5387 118.689 170.535 -121.773 170.536 -254.659 GPRESSURE: 848600 62.7023 -75.9185 -163.065 -44.0501 105.961 80.7452 -60.1944 194.361 -140.856 PRESSAVG: 848600 -48.5714 35.9974 -18.0777 35.9974 15.3894 51.2595 -18.0777 51.2596 -8.39498 GPRESSAVG: 848600 -48.2257 35.4992 -20.5211 36.0638 14.6061 49.5754 -16.9452 51.8399 -8.39072 TIMING: 848600 CPU: 2680.79, 0.00320953/step Wall: 2680.79, 0.00320953/step, 3.70112 hours remaining, 238.019531 MB of memory in use. ENERGY: 848600 4079.0994 20444.0159 14484.8918 234.3958 -203573.3382 2672.1602 0.0000 0.0000 52260.6797 -109398.0955 300.3428 -161658.7751 -109032.5760 299.3459 -20.5015 9.2693 759950.9451 -13.8590 -14.0034 PRESSURE: 848800 -305.783 -70.183 -14.7528 -70.1832 -173.353 15.3291 -14.7528 15.3294 130.615 GPRESSURE: 848800 -258.02 -68.7197 43.8111 -15.8865 -126.48 18.9785 -138.083 79.6738 121.948 PRESSAVG: 848800 -10.0993 0.271013 -10.4632 0.271025 1.21546 27.7446 -10.4632 27.7446 23.4263 GPRESSAVG: 848800 -9.67493 2.40249 -7.73088 -1.13581 1.415 28.9734 -11.7917 29.4506 22.7083 TIMING: 848800 CPU: 2681.43, 0.00322321/step Wall: 2681.43, 0.00322321/step, 3.71671 hours remaining, 238.019531 MB of memory in use. ENERGY: 848800 4063.4673 20578.3111 14479.0578 250.0802 -203382.1933 2673.0724 0.0000 0.0000 51875.7309 -109462.4737 298.1305 -161338.2046 -109100.1121 299.1865 -116.1735 -87.5173 762153.5719 4.8475 4.8161 PRESSURE: 849000 81.6598 -14.2725 137.518 -14.272 -183.855 149.577 137.517 149.576 185.488 GPRESSURE: 849000 167.699 -3.26671 78.3051 -65.8403 -109.3 175.177 212.415 179.442 107.52 PRESSAVG: 849000 -1.36387 -4.61086 13.6279 -4.6108 3.05254 26.7632 13.6279 26.7633 -5.33872 GPRESSAVG: 849000 -1.2028 -7.00063 13.7584 -2.3207 3.20033 27.005 14.2971 25.6412 -5.9016 TIMING: 849000 CPU: 2682.08, 0.0032293/step Wall: 2682.08, 0.0032293/step, 3.72357 hours remaining, 238.019531 MB of memory in use. ENERGY: 849000 3946.2851 20477.8980 14484.5296 251.6674 -203180.1353 2565.2588 0.0000 0.0000 51868.9450 -109585.5514 298.0915 -161454.4964 -109217.8745 299.1668 27.7644 55.3066 763342.0820 -1.2167 -1.3014 PRESSURE: 849200 0.412914 97.1122 -80.3577 97.1125 182.87 10.0714 -80.358 10.0718 -198.118 GPRESSURE: 849200 53.6793 111.523 -34.129 21.9589 177.52 1.58188 -91.8009 -166.529 -160.292 PRESSAVG: 849200 -39.5834 9.1939 21.6002 9.19383 20.167 21.2511 21.6002 21.2512 -10.1782 GPRESSAVG: 849200 -40.2075 11.6986 20.5841 7.44891 20.0016 19.8012 21.1913 19.5597 -9.68749 TIMING: 849200 CPU: 2682.72, 0.00321183/step Wall: 2682.72, 0.00321183/step, 3.70324 hours remaining, 238.019531 MB of memory in use. ENERGY: 849200 3968.8700 20330.9178 14483.4818 231.0646 -203458.0956 2626.3572 0.0000 0.0000 52362.2878 -109455.1164 300.9268 -161817.4042 -109082.9706 299.1906 -4.9452 23.6358 762315.4776 -9.8649 -9.9644 PRESSURE: 849400 -87.1556 -102.709 58.3365 -102.708 -188 -25.2925 58.3365 -25.2923 130.428 GPRESSURE: 849400 -116.264 -70.2786 11.682 -39.5558 -116.943 52.8733 -75.219 -6.17724 190.518 PRESSAVG: 849400 67.4694 -0.74838 14.5386 -0.748403 -33.7182 23.3203 14.5386 23.3202 2.82318 GPRESSAVG: 849400 67.4442 -3.05602 14.0164 0.527443 -33.6029 24.0952 12.8328 23.786 2.4694 TIMING: 849400 CPU: 2683.36, 0.00319214/step Wall: 2683.36, 0.00319214/step, 3.68036 hours remaining, 238.019531 MB of memory in use. ENERGY: 849400 3966.4783 20544.4456 14500.3514 262.1558 -203947.4450 3011.1948 0.0000 0.0000 52007.1086 -109655.7105 298.8856 -161662.8191 -109301.1669 299.2379 -48.2427 -14.2299 763143.6836 12.1915 12.1036 PRESSURE: 849600 216.489 145.462 -162.469 145.462 -372.597 5.65093 -162.469 5.6516 -212.426 GPRESSURE: 849600 96.0779 209.558 -212.222 231.88 -180.141 92.7126 -24.1606 -30.8535 -180.224 PRESSAVG: 849600 -51.1394 -20.7005 -2.41061 -20.7006 40.7695 -83.6913 -2.41057 -83.6912 17.9779 GPRESSAVG: 849600 -52.0011 -21.5436 -2.09509 -20.2159 41.6506 -82.0936 -1.40181 -82.0659 17.9441 TIMING: 849600 CPU: 2683.99, 0.00317991/step Wall: 2683.99, 0.00317991/step, 3.66608 hours remaining, 238.019531 MB of memory in use. ENERGY: 849600 3924.0035 20487.2032 14426.6994 240.2433 -203424.5572 2571.8543 0.0000 0.0000 51998.4985 -109776.0551 298.8361 -161774.5536 -109412.9326 298.6947 -122.8449 -88.0956 761798.8412 2.5360 2.5312 PRESSURE: 849800 -80.0798 -42.6885 225.686 -42.6884 -116.611 26.5252 225.687 26.5244 76.2429 GPRESSURE: 849800 16.4504 32.3777 171.593 41.0786 -127.805 5.18941 349.14 74.0957 105.983 PRESSAVG: 849800 -38.9765 4.70215 -15.1376 4.70222 -0.181561 -0.955884 -15.1377 -0.955879 -12.1243 GPRESSAVG: 849800 -39.1178 7.52058 -14.4063 4.21758 0.29039 -3.49552 -15.9844 -2.36892 -12.2855 TIMING: 849800 CPU: 2684.63, 0.00318227/step Wall: 2684.63, 0.00318227/step, 3.66863 hours remaining, 238.019531 MB of memory in use. ENERGY: 849800 4080.2014 20396.9529 14466.5763 236.2034 -203909.0361 2723.9772 0.0000 0.0000 52022.2555 -109982.8695 298.9726 -162005.1250 -109617.1943 298.5833 -40.1493 -1.7906 761482.0081 -17.0941 -17.0376 PRESSURE: 850000 -48.7046 8.88472 -167.502 8.88363 -164.402 125.823 -167.502 125.823 -189.964 GPRESSURE: 850000 -10.4131 52.6142 -150.764 -37.237 -177.221 14.7996 -177.385 136.255 -134.302 PRESSAVG: 850000 -39.7055 17.3925 13.2035 17.3925 14.4594 36.9259 13.2034 36.9258 -2.43098 GPRESSAVG: 850000 -38.8045 16.723 12.8564 14.9624 12.7112 37.3501 15.2604 37.2524 -1.56096 TIMING: 850000 CPU: 2685.27, 0.0031867/step Wall: 2685.27, 0.0031867/step, 3.67356 hours remaining, 238.019531 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: 850000 3894.7885 20526.5667 14463.9168 254.3889 -203405.5852 2532.8938 0.0000 0.0000 51877.7486 -109855.2819 298.1421 -161733.0305 -109495.0414 298.5480 -134.3568 -107.3118 762318.5976 -9.2257 -9.2181 PRESSURE: 850200 -129.087 64.3106 -108.159 64.3107 87.3638 -11.485 -108.157 -11.4845 -39.7234 GPRESSURE: 850200 -156.792 38.9466 -89.9745 -43.5409 169.38 -55.5796 -37.7296 -131.373 3.16406 PRESSAVG: 850200 -7.45279 -13.1902 -1.54661 -13.1902 21.2844 -15.7202 -1.54661 -15.7201 12.0819 GPRESSAVG: 850200 -8.21969 -12.3627 -2.47482 -11.9103 21.4044 -16.0381 -1.76695 -15.2511 12.6478 TIMING: 850200 CPU: 2685.91, 0.00319395/step Wall: 2685.91, 0.00319395/step, 3.68173 hours remaining, 238.019531 MB of memory in use. ENERGY: 850200 4006.1867 20508.9806 14397.9056 263.4301 -203259.1242 2383.0045 0.0000 0.0000 51945.3707 -109754.2460 298.5308 -161699.6168 -109388.9538 298.6340 -27.1488 5.2508 761481.8583 8.6378 8.6109 PRESSURE: 850400 148.531 -57.2521 15.3018 -57.2523 190.081 93.8755 15.302 93.8745 217.139 GPRESSURE: 850400 171.146 -138.311 29.3155 -52.3464 224.662 179.506 -58.0061 45.0815 250.455 PRESSAVG: 850400 7.22551 39.5418 -10.7848 39.5419 -25.5885 1.04626 -10.7848 1.04623 26.0126 GPRESSAVG: 850400 7.78218 37.5878 -9.66588 41.8386 -24.4216 1.30981 -10.2646 1.36678 23.8703 TIMING: 850400 CPU: 2686.55, 0.00320189/step Wall: 2686.55, 0.00320189/step, 3.69071 hours remaining, 238.019531 MB of memory in use. ENERGY: 850400 3964.3748 20655.2464 14490.4793 246.9519 -203756.6224 2927.0137 0.0000 0.0000 51699.9561 -109772.6002 297.1204 -161472.5563 -109421.8244 298.9144 185.2503 215.4209 760968.9929 2.5499 2.4103 PRESSURE: 850600 -0.464337 92.8744 -29.6757 92.8741 -254.272 -135.317 -29.6753 -135.317 201.657 GPRESSURE: 850600 45.2581 72.6357 -10.8552 33.3926 -242.127 -49.3687 23.8043 -183.451 236.78 PRESSAVG: 850600 -2.66208 -62.6235 66.7677 -62.6235 -20.5384 6.87781 66.7677 6.87776 11.1921 GPRESSAVG: 850600 -3.62957 -62.1873 65.8269 -64.6038 -20.2605 7.22242 64.4535 6.92281 11.9836 TIMING: 850600 CPU: 2687.18, 0.00318155/step Wall: 2687.18, 0.00318155/step, 3.66709 hours remaining, 238.019531 MB of memory in use. ENERGY: 850600 4033.2484 20449.3580 14455.6984 234.9271 -203822.5427 2846.7277 0.0000 0.0000 52002.6924 -109799.8908 298.8602 -161802.5832 -109442.7684 298.8760 -17.6930 13.3039 762343.4457 -4.0028 -3.9688 PRESSURE: 850800 -80.4648 -131.043 179.362 -131.042 -327.294 21.9429 179.361 21.9438 -74.6748 GPRESSURE: 850800 -73.0746 -136.758 265.462 -90.7634 -315.683 -22.0112 150.456 -5.75162 -6.72383 PRESSAVG: 850800 -23.9771 33.736 -32.9845 33.7361 -19.8908 -34.0431 -32.9845 -34.0431 9.83132 GPRESSAVG: 850800 -22.8542 34.0798 -32.1758 33.5068 -20.9165 -32.827 -32.8185 -35.5905 9.80815 TIMING: 850800 CPU: 2687.83, 0.00322299/step Wall: 2687.83, 0.00322298/step, 3.71467 hours remaining, 238.019531 MB of memory in use. ENERGY: 850800 4009.3135 20559.6307 14460.4985 234.3389 -203704.2764 2732.6733 0.0000 0.0000 51908.3148 -109799.5067 298.3178 -161707.8216 -109445.3313 298.7269 -160.8111 -131.8273 760681.0743 -11.3455 -11.3208 PRESSURE: 851000 -270.674 -48.3783 103.965 -48.379 132.648 -22.3406 103.964 -22.3409 242.921 GPRESSURE: 851000 -182.574 -23.5086 142.039 -99.5302 139.716 -50.2303 -28.3608 51.9245 248.82 PRESSAVG: 851000 -28.361 25.3322 -7.40677 25.3322 -2.86442 12.8906 -7.40681 12.8906 19.8817 GPRESSAVG: 851000 -28.7904 27.1629 -7.23977 23.8467 -1.81531 9.78073 -7.69869 14.2228 19.608 TIMING: 851000 CPU: 2688.48, 0.00323165/step Wall: 2688.48, 0.00323165/step, 3.72447 hours remaining, 238.019531 MB of memory in use. ENERGY: 851000 3978.1646 20587.2322 14452.3372 251.2482 -203945.7707 2785.1805 0.0000 0.0000 52150.2626 -109741.3453 299.7083 -161891.6080 -109373.8892 298.9653 34.9651 68.6539 760481.6322 -3.7812 -3.6659 PRESSURE: 851200 44.9813 29.6414 26.4318 29.6419 -227.022 -97.9781 26.4324 -97.9786 95.6078 GPRESSURE: 851200 136.177 48.4464 28.0793 124.29 -221.652 -51.0388 116.173 -123.428 90.513 PRESSAVG: 851200 38.3651 10.7992 28.6419 10.7993 -51.4456 20.0569 28.6418 20.057 -15.1495 GPRESSAVG: 851200 38.2179 9.71111 26.6088 11.9139 -51.3976 22.2794 30.5716 18.3224 -15.0639 TIMING: 851200 CPU: 2689.12, 0.00323487/step Wall: 2689.12, 0.00323487/step, 3.72801 hours remaining, 238.019531 MB of memory in use. ENERGY: 851200 4039.4741 20620.9940 14417.2093 240.2471 -203269.6800 2463.1033 0.0000 0.0000 51998.9366 -109489.7155 298.8386 -161488.6521 -109131.2975 299.3884 -28.8111 1.6793 762439.4592 -9.4100 -9.4145 PRESSURE: 851400 -153.622 -12.8811 -170.289 -12.8806 -311.441 -219.772 -170.288 -219.772 -70.0123 GPRESSURE: 851400 -78.2236 -33.6204 -156.109 -112.823 -258.667 -271.879 -71.2227 -130.617 -105.994 PRESSAVG: 851400 -4.01321 7.33751 28.7535 7.33756 2.56028 -4.77888 28.7535 -4.77892 0.801428 GPRESSAVG: 851400 -4.21912 7.85711 31.2306 8.0315 2.84939 -5.13566 27.9081 -4.01568 1.08335 TIMING: 851400 CPU: 2689.76, 0.00320853/step Wall: 2689.76, 0.00320853/step, 3.69747 hours remaining, 238.019531 MB of memory in use. ENERGY: 851400 3985.7907 20579.1351 14485.3102 252.8100 -203303.4917 2578.5480 0.0000 0.0000 51927.4431 -109494.4546 298.4277 -161421.8977 -109131.7546 299.4045 -178.3584 -147.6282 761651.4190 -0.2172 -0.0955 PRESSURE: 851600 60.655 -59.2226 177.204 -59.2224 242.262 8.67038 177.204 8.67152 152.856 GPRESSURE: 851600 143.702 -84.0457 141.698 -97.7078 209.38 45.9672 137.659 -91.7075 186.481 PRESSAVG: 851600 25.6737 -9.54162 -13.4976 -9.5417 -9.54813 -14.1255 -13.4976 -14.1255 -13.0725 GPRESSAVG: 851600 24.9958 -9.82743 -13.2537 -10.2608 -10.1299 -14.025 -13.2697 -11.0034 -11.9591 TIMING: 851600 CPU: 2690.41, 0.00323393/step Wall: 2690.41, 0.00323393/step, 3.72657 hours remaining, 238.019531 MB of memory in use. ENERGY: 851600 4100.0006 20741.4866 14435.0900 257.7101 -203314.6906 2380.7489 0.0000 0.0000 51768.2463 -109631.4081 297.5128 -161399.6544 -109278.1323 299.3212 151.9245 179.8543 758112.0092 1.0177 0.9689 PRESSURE: 851800 121.422 -20.0937 -136.779 -20.0936 69.6848 -71.5615 -136.779 -71.5621 197.522 GPRESSURE: 851800 109.99 67.234 -121.808 -102.49 101.404 -119.862 -301.274 -126.124 253.727 PRESSAVG: 851800 55.5059 23.2102 12.119 23.2102 -1.25339 41.7878 12.1189 41.7878 -27.7046 GPRESSAVG: 851800 57.007 24.2401 9.72886 21.2043 -1.77943 42.3248 11.9925 38.8249 -28.7438 TIMING: 851800 CPU: 2691.06, 0.00322376/step Wall: 2691.06, 0.00322376/step, 3.71467 hours remaining, 238.019531 MB of memory in use. ENERGY: 851800 3920.5141 20647.6036 14446.6397 250.3422 -203679.7588 2531.1740 0.0000 0.0000 52090.3835 -109793.1017 299.3641 -161883.4851 -109435.5435 299.0991 129.5429 155.0405 757590.4017 8.8493 8.8279 PRESSURE: 852000 313.942 -94.6902 163.288 -94.6896 101.239 53.1886 163.288 53.1875 498.537 GPRESSURE: 852000 428.497 6.12837 76.3011 10.7621 102.055 151.584 175.986 101.323 471.128 PRESSAVG: 852000 25.1572 -1.83751 -19.4051 -1.83752 -29.3946 -37.7839 -19.4051 -37.7839 12.751 GPRESSAVG: 852000 24.9462 -2.40315 -17.5385 0.379922 -28.7078 -37.3165 -19.8875 -39.0524 12.7911 TIMING: 852000 CPU: 2691.7, 0.00321109/step Wall: 2691.7, 0.00321109/step, 3.69989 hours remaining, 238.019531 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: 852000 3951.4822 20660.2444 14471.3258 275.0684 -203619.6129 2589.2723 0.0000 0.0000 52130.7410 -109541.4788 299.5961 -161672.2197 -109184.9915 299.0516 304.5725 333.8934 758048.1046 2.8379 3.0098 PRESSURE: 852200 281.372 -28.6657 -318.867 -28.6659 167.538 -1.68496 -318.867 -1.68491 183.347 GPRESSURE: 852200 270.767 -69.9538 -214.481 12.3318 255.814 -7.75738 -301.193 62.1328 201.358 PRESSAVG: 852200 30.0432 6.82453 -47.1303 6.82457 -15.3497 -62.0077 -47.1303 -62.0078 9.06766 GPRESSAVG: 852200 29.6708 5.19722 -46.4204 7.02552 -15.4121 -64.0706 -44.2234 -59.6051 8.97519 TIMING: 852200 CPU: 2692.35, 0.00323807/step Wall: 2692.35, 0.00323807/step, 3.7308 hours remaining, 238.019531 MB of memory in use. ENERGY: 852200 3910.5281 20519.7090 14447.7146 225.2488 -203438.2501 2701.3896 0.0000 0.0000 51951.1053 -109682.5545 298.5637 -161633.6598 -109312.1083 299.3984 210.7523 242.6461 761419.2537 7.9204 7.7447 LDB: ============= START OF LOAD BALANCING ============== 2704.8 LDB: ============== END OF LOAD BALANCING =============== 2704.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2704.81 LDB: ============= START OF LOAD BALANCING ============== 2705.12 LDB: Largest compute 7065 load 0.035493 is 18.2% of average load 0.195130 LDB: Average compute 0.004405 is 2.3% of average load 0.195130 LDB: TIME 2705.13 LOAD: AVG 0.19513 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 2705.13 LOAD: AVG 0.19513 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 2705.13 LOAD: AVG 0.19513 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 2705.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2705.14 PRESSURE: 852400 187.124 -49.7828 -27.903 -49.7821 186.068 -109.571 -27.9033 -109.57 297.258 GPRESSURE: 852400 149.521 -28.1126 -23.1367 -123.012 250.966 -159.492 -94.6485 -78.5183 343.698 PRESSAVG: 852400 8.35361 16.8154 56.9256 16.8154 -9.46302 -15.5709 56.9256 -15.5709 -19.6132 GPRESSAVG: 852400 7.18214 18.7538 54.5865 16.4563 -9.94026 -14.053 54.1292 -16.5177 -18.1041 TIMING: 852400 CPU: 2693, 0.00327182/step Wall: 2693, 0.00327182/step, 3.7695 hours remaining, 236.531250 MB of memory in use. ENERGY: 852400 3937.3912 20508.8286 14444.8208 252.4149 -203583.9554 2762.2876 0.0000 0.0000 52158.0404 -109520.1719 299.7530 -161678.2123 -109164.0388 298.8762 223.4832 248.0615 761301.1608 -6.9075 -6.9541 PRESSURE: 852600 65.7736 61.163 127.914 61.1629 -196.26 -76.3978 127.914 -76.3979 427.376 GPRESSURE: 852600 49.973 -64.3713 94.5229 91.0243 -113.132 -169.486 26.3253 -5.90057 442.399 PRESSAVG: 852600 -56.1654 36.5502 1.18454 36.5502 21.9676 -75.1328 1.18451 -75.1327 14.8187 GPRESSAVG: 852600 -55.6954 33.8758 1.54926 38.5632 20.9963 -76.1378 3.34473 -75.1701 14.8802 TIMING: 852600 CPU: 2693.64, 0.00319845/step Wall: 2693.64, 0.00319845/step, 3.68479 hours remaining, 236.937500 MB of memory in use. ENERGY: 852600 4068.1012 20389.4457 14494.7642 234.7808 -203372.6605 2566.8905 0.0000 0.0000 52102.5771 -109516.1009 299.4342 -161618.6781 -109155.8061 299.2442 98.9631 126.4134 762378.5825 -6.4597 -6.6063 PRESSURE: 852800 149.022 -77.4433 -194.697 -77.4439 -159.039 -216.967 -194.697 -216.967 90.9914 GPRESSURE: 852800 171.931 22.31 -150.936 -81.4111 -90.8622 -245.553 -4.66839 -64.5012 100.874 PRESSAVG: 852800 25.533 0.892098 3.54843 0.892086 -38.8511 -49.4323 3.54844 -49.4324 26.5781 GPRESSAVG: 852800 25.7837 3.93623 5.18704 -1.8065 -38.6826 -48.4631 3.11929 -50.6058 26.1196 TIMING: 852800 CPU: 2694.27, 0.00316143/step Wall: 2694.27, 0.00316143/step, 3.64197 hours remaining, 236.937500 MB of memory in use. ENERGY: 852800 4021.3381 20464.9952 14435.2186 264.6262 -203267.5445 2618.2728 0.0000 0.0000 51806.0108 -109657.0829 297.7299 -161463.0937 -109305.6823 299.2037 26.9913 60.6477 763001.8128 4.4200 4.4069 PRESSURE: 853000 -328.02 46.8798 -112.416 46.8798 31.9502 -290.665 -112.416 -290.666 45.2152 GPRESSURE: 853000 -289.352 9.23286 -9.86995 24.4565 78.9847 -183.038 -21.7684 -337.092 54.3636 PRESSAVG: 853000 17.2838 -66.0612 29.664 -66.0612 7.04825 -33.3796 29.664 -33.3795 -32.038 GPRESSAVG: 853000 16.6907 -66.2241 29.9368 -64.1527 7.25056 -33.6423 29.9732 -32.9802 -31.8845 TIMING: 853000 CPU: 2694.91, 0.00318995/step Wall: 2694.91, 0.00318995/step, 3.67465 hours remaining, 236.937500 MB of memory in use. ENERGY: 853000 4004.5358 20528.0343 14420.2460 244.0532 -203575.3232 2598.3369 0.0000 0.0000 52060.2098 -109719.9072 299.1907 -161780.1170 -109351.8659 298.8768 -83.6184 -52.0011 761431.5477 -2.5686 -2.6477 PRESSURE: 853200 156.207 -170.779 504.822 -170.779 -202.101 132.419 504.821 132.42 -58.6931 GPRESSURE: 853200 145.141 -156.823 487.443 -84.6654 -84.7151 160.451 289.221 -13.7154 -82.4832 PRESSAVG: 853200 -30.9167 -13.6142 48.0683 -13.6142 41.8217 -53.3012 48.0682 -53.3012 15.2435 GPRESSAVG: 853200 -30.5919 -13.2003 47.027 -14.9936 42.3688 -54.0208 47.6895 -53.3465 14.2529 TIMING: 853200 CPU: 2695.55, 0.00319472/step Wall: 2695.55, 0.00319472/step, 3.67996 hours remaining, 236.937500 MB of memory in use. ENERGY: 853200 3959.7844 20300.1543 14441.8390 232.2537 -203273.8465 2431.1039 0.0000 0.0000 51993.0282 -109915.6831 298.8046 -161908.7112 -109542.9321 298.5323 -34.8623 -7.3523 761318.8492 8.7162 8.6766 PRESSURE: 853400 274.868 -50.9932 95.9448 -50.9925 -153.26 -85.6505 95.9455 -85.6506 66.8392 GPRESSURE: 853400 227.735 -28.9696 94.6309 0.0506904 2.11908 -175.804 61.4933 -33.6173 43.1101 PRESSAVG: 853400 79.8218 22.7254 -21.7925 22.7255 -81.461 -67.4145 -21.7925 -67.4144 -8.202 GPRESSAVG: 853400 79.9638 22.8684 -22.5681 23.771 -81.7961 -67.2054 -21.285 -67.8411 -7.66236 TIMING: 853400 CPU: 2696.19, 0.00318609/step Wall: 2696.19, 0.00318609/step, 3.66985 hours remaining, 236.937500 MB of memory in use. ENERGY: 853400 3970.3475 20486.5441 14405.3545 246.5327 -203477.1105 2624.6238 0.0000 0.0000 51912.4744 -109831.2336 298.3417 -161743.7080 -109470.3867 298.4767 62.8159 90.9880 760237.1419 -3.2804 -3.1649 PRESSURE: 853600 20.855 -7.13757 126.074 -7.13797 -114.407 -75.1424 126.074 -75.1425 270.282 GPRESSURE: 853600 27.8084 -5.38753 93.4041 -54.9049 -58.9742 -1.63232 130.877 -158.172 292.669 PRESSAVG: 853600 9.58116 28.104 33.5683 28.104 10.9255 -98.0647 33.5683 -98.0647 8.0435 GPRESSAVG: 853600 10.3215 29.2003 33.875 27.2875 10.4599 -98.088 32.9314 -96.4777 8.54198 TIMING: 853600 CPU: 2696.82, 0.0031637/step Wall: 2696.82, 0.0031637/step, 3.64388 hours remaining, 236.937500 MB of memory in use. ENERGY: 853600 3980.6766 20602.7402 14471.0890 224.8248 -203134.0287 2341.9028 0.0000 0.0000 51752.0411 -109760.7542 297.4197 -161512.7953 -109394.6889 298.6121 58.9100 87.1678 762073.8273 9.5167 9.7745 PRESSURE: 853800 -243.383 80.4249 -174.522 80.4245 37.5033 -271.044 -174.521 -271.044 -315.572 GPRESSURE: 853800 -173.921 138.544 -156.582 128.261 -28.8492 -267.892 -135.268 -276.285 -251.883 PRESSAVG: 853800 13.374 46.3692 -31.3979 46.3692 -27.695 -48.9529 -31.3979 -48.9529 -5.62018 GPRESSAVG: 853800 13.8074 45.6552 -30.7371 48.2138 -28.258 -48.3259 -33.8198 -49.8935 -5.89529 TIMING: 853800 CPU: 2697.45, 0.00317561/step Wall: 2697.45, 0.00317561/step, 3.65742 hours remaining, 236.937500 MB of memory in use. ENERGY: 853800 4019.0553 20495.9887 14453.5800 241.8843 -203108.5792 2198.7650 0.0000 0.0000 51769.3462 -109929.9597 297.5191 -161699.3059 -109561.4441 298.1766 -173.8170 -151.5514 761785.4641 -6.6471 -6.7820 PRESSURE: 854000 -143.641 51.1435 19.2953 51.1438 -267.059 -154.654 19.2948 -154.654 -218.18 GPRESSURE: 854000 -118.813 154.135 2.76468 -22.7534 -177.361 -137.273 60.8076 -219.999 -250.239 PRESSAVG: 854000 -72.3942 -20.4663 -5.05674 -20.4662 33.4019 -60.4906 -5.05681 -60.4906 -6.9229 GPRESSAVG: 854000 -72.6571 -19.4732 -5.24752 -22.5126 33.0102 -60.6022 -1.67726 -58.8368 -6.66144 TIMING: 854000 CPU: 2698.09, 0.00319407/step Wall: 2698.09, 0.00319407/step, 3.6785 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 3989.8393 20439.2566 14479.0982 231.9765 -203248.1498 2255.2196 0.0000 0.0000 51927.9250 -109924.8346 298.4305 -161852.7596 -109568.9553 298.2849 -209.6267 -182.1377 760899.5258 -15.3051 -15.4361 PRESSURE: 854200 -91.0673 -29.7681 278.578 -29.7676 55.6316 -131.309 278.577 -131.309 180.201 GPRESSURE: 854200 -29.6734 -55.0642 164.45 -67.9128 89.6298 -207.183 303 10.5217 148.267 PRESSAVG: 854200 -33.4921 22.6139 27.8361 22.6139 33.3695 -62.9846 27.8361 -62.9846 27.6064 GPRESSAVG: 854200 -34.5737 20.2363 26.5408 23.184 34.3634 -62.3552 27.1704 -65.6347 27.5636 TIMING: 854200 CPU: 2698.73, 0.00319996/step Wall: 2698.73, 0.00319996/step, 3.68511 hours remaining, 236.937500 MB of memory in use. ENERGY: 854200 3998.8942 20620.1825 14408.0222 233.6457 -203574.3222 2799.8525 0.0000 0.0000 51842.6201 -109671.1051 297.9402 -161513.7252 -109315.4736 298.1989 48.2552 69.4077 761735.4816 9.1613 9.1177 PRESSURE: 854400 61.735 96.5401 -26.8606 96.5409 -24.9584 93.3412 -26.8607 93.342 -7.83509 GPRESSURE: 854400 29.0663 25.332 37.7528 142.651 41.0694 148.067 -23.1371 163.817 61.7463 PRESSAVG: 854400 32.4486 7.29059 29.2808 7.29062 11.5822 -80.6052 29.2809 -80.6052 1.28162 GPRESSAVG: 854400 33.5897 8.13167 29.4867 7.77702 10.7204 -82.7692 28.594 -78.8793 0.271358 TIMING: 854400 CPU: 2699.37, 0.00317335/step Wall: 2699.37, 0.00317335/step, 3.65429 hours remaining, 236.937500 MB of memory in use. ENERGY: 854400 4000.1099 20467.5089 14409.4141 237.3315 -203278.4516 2531.3527 0.0000 0.0000 52113.5834 -109519.1510 299.4975 -161632.7344 -109165.8539 299.4242 9.6472 43.9607 760483.5851 15.1041 14.8605 PRESSURE: 854600 -70.6412 -140.619 -31.5921 -140.62 -377.766 -277.809 -31.5921 -277.809 -150.298 GPRESSURE: 854600 -63.0544 -159.619 34.9199 -181.654 -325.765 -181.613 13.1321 -304.718 -125.081 PRESSAVG: 854600 -29.7773 -18.3438 -15.729 -18.3437 1.98435 -47.7743 -15.729 -47.7743 -5.80223 GPRESSAVG: 854600 -31.8447 -16.8389 -14.2971 -20.3149 2.42696 -47.002 -14.025 -47.0336 -4.35475 TIMING: 854600 CPU: 2700.01, 0.00323015/step Wall: 2700.01, 0.00323015/step, 3.71952 hours remaining, 236.937500 MB of memory in use. ENERGY: 854600 4052.0978 20390.0119 14486.0304 234.3040 -203408.4971 2689.2437 0.0000 0.0000 52383.5448 -109173.2644 301.0490 -161556.8092 -108810.5061 299.6792 -199.5685 -171.3003 762004.2415 -11.1984 -11.2575 PRESSURE: 854800 43.9684 75.5556 212.008 75.5555 -59.9757 149.587 212.008 149.586 -283.43 GPRESSURE: 854800 24.3579 79.9864 76.5165 240.607 -6.97367 177.771 190.343 54.3572 -233.755 PRESSAVG: 854800 20.2998 -2.7674 -5.1556 -2.76739 27.7589 -16.5633 -5.15556 -16.5633 -3.82401 GPRESSAVG: 854800 22.2164 -5.51145 -5.86195 -0.23938 27.6592 -15.5236 -4.60837 -18.0375 -4.71406 TIMING: 854800 CPU: 2700.65, 0.00319573/step Wall: 2700.65, 0.00319573/step, 3.6797 hours remaining, 236.937500 MB of memory in use. ENERGY: 854800 4035.9876 20793.0930 14514.5756 258.1679 -203407.7242 2713.2095 0.0000 0.0000 51927.4587 -109165.2318 298.4278 -161092.6906 -108813.9942 300.3705 -99.8123 -72.1235 762672.3584 14.7449 15.0539 PRESSURE: 855000 -350.98 -6.20565 -157.414 -6.20559 -172.501 117.977 -157.412 117.977 92.8399 GPRESSURE: 855000 -215.924 -84.7714 -65.4015 -116.276 -167.651 86.8636 -113.523 179.01 40.5344 PRESSAVG: 855000 3.01391 -0.261174 -63.4444 -0.261147 -12.3992 -0.0403764 -63.4444 -0.0404134 -6.4334 GPRESSAVG: 855000 2.99278 -0.620999 -63.0468 0.708406 -12.6915 -0.402695 -65.5443 0.352177 -6.14176 TIMING: 855000 CPU: 2701.29, 0.00317785/step Wall: 2701.29, 0.00317785/step, 3.65894 hours remaining, 236.937500 MB of memory in use. ENERGY: 855000 3994.9412 20469.2676 14481.7444 264.1752 -203088.3601 2366.4823 0.0000 0.0000 52212.5285 -109299.2209 300.0661 -161511.7493 -108927.4694 300.1397 -143.5469 -114.3469 761905.8410 -5.2729 -5.2801 PRESSURE: 855200 100.266 139.414 -74.4887 139.414 -9.50711 66.623 -74.4892 66.6241 138.076 GPRESSURE: 855200 214.525 204.587 -220.665 195.788 26.5778 51.6948 -18.2112 -37.7872 72.5409 PRESSAVG: 855200 34.8682 -29.0798 -58.5505 -29.0798 -28.3756 -11.2405 -58.5506 -11.2405 -1.42481 GPRESSAVG: 855200 33.6461 -28.3274 -59.0108 -30.2553 -28.735 -11.6857 -56.318 -10.7855 0.331795 TIMING: 855200 CPU: 2701.92, 0.00313683/step Wall: 2701.92, 0.00313683/step, 3.61154 hours remaining, 236.937500 MB of memory in use. ENERGY: 855200 4052.9443 20589.6245 14467.4660 238.0078 -203746.1885 2980.2045 0.0000 0.0000 52233.5621 -109184.3793 300.1870 -161417.9415 -108821.2168 300.4801 76.2783 104.5480 760379.8726 1.6892 1.7476 PRESSURE: 855400 -313.803 -78.7317 42.5665 -78.7307 -234.522 -83.2281 42.5663 -83.2283 -2.3951 GPRESSURE: 855400 -348.353 -56.6087 131.947 -65.4142 -160.323 -79.6943 20.8409 2.17337 29.6372 PRESSAVG: 855400 47.3151 -25.5347 -48.7855 -25.5346 -77.8728 -19.9404 -48.7855 -19.9404 30.3672 GPRESSAVG: 855400 48.0995 -25.4026 -49.0466 -25.1133 -77.4997 -20.77 -48.5998 -19.5198 29.3476 TIMING: 855400 CPU: 2702.54, 0.00314225/step Wall: 2702.54, 0.00314225/step, 3.6176 hours remaining, 236.937500 MB of memory in use. ENERGY: 855400 4001.7200 20812.9779 14585.5119 253.5056 -203163.8530 2701.6701 0.0000 0.0000 52042.0041 -108766.4634 299.0861 -160808.4675 -108415.3879 299.9405 -183.5734 -159.6799 761782.7179 -0.0635 -0.0176 PRESSURE: 855600 -124.407 117.884 -115.979 117.884 -389.442 -184.632 -115.978 -184.632 33.8333 GPRESSURE: 855600 -55.4008 20.1131 -155.455 231.755 -279.982 -155.237 -85.0766 -85.7487 -66.984 PRESSAVG: 855600 14.2669 -18.0277 -25.7622 -18.0276 -26.1827 17.9853 -25.7622 17.9853 -22.5387 GPRESSAVG: 855600 13.0364 -18.8247 -26.2071 -16.5802 -25.0819 17.8714 -28.0735 17.7422 -22.3758 TIMING: 855600 CPU: 2703.17, 0.00315158/step Wall: 2703.17, 0.00315158/step, 3.62817 hours remaining, 236.937500 MB of memory in use. ENERGY: 855600 4037.1364 20663.9514 14469.6020 237.7031 -203040.8433 2458.2473 0.0000 0.0000 52322.4885 -108851.7147 300.6981 -161174.2031 -108483.9784 300.7451 -160.0052 -134.1222 762037.6600 -11.4848 -11.4738 PRESSURE: 855800 -109.141 74.1858 56.4759 74.1852 244.161 -362.317 56.4757 -362.317 247.132 GPRESSURE: 855800 -6.72119 70.9939 73.1745 155.707 291.627 -375.451 -17.4343 -226.552 190.454 PRESSAVG: 855800 18.6861 32.0447 -14.8059 32.0447 -18.6453 -21.6132 -14.8059 -21.6132 0.859794 GPRESSAVG: 855800 18.8482 33.5352 -13.6902 30.6698 -19.6835 -19.9569 -12.8141 -21.4848 1.4536 TIMING: 855800 CPU: 2703.81, 0.00315814/step Wall: 2703.81, 0.00315814/step, 3.63554 hours remaining, 236.937500 MB of memory in use. ENERGY: 855800 3995.5428 20582.5141 14446.1499 259.6083 -203017.3152 2695.1666 0.0000 0.0000 52081.5851 -108956.7485 299.3136 -161038.3335 -108594.6617 300.1504 127.3840 158.4535 760977.6628 0.3002 0.2061 PRESSURE: 856000 -288.866 76.695 -114.274 76.6949 128.847 103.633 -114.274 103.634 -401.473 GPRESSURE: 856000 -227.134 1.82138 -51.5347 89.2733 108.67 62.7271 -105.556 50.012 -372.942 PRESSAVG: 856000 5.35658 20.4021 3.71174 20.4022 -28.2864 -65.9393 3.7117 -65.9393 7.81544 GPRESSAVG: 856000 5.70244 21.2609 3.77576 19.5964 -28.4867 -67.522 2.6295 -65.5615 8.17777 TIMING: 856000 CPU: 2704.44, 0.0031586/step Wall: 2704.44, 0.0031586/step, 3.6359 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 856000 4039.2094 20461.1202 14437.8531 251.5709 -203205.4785 2649.9573 0.0000 0.0000 52419.1114 -108946.6562 301.2534 -161365.7676 -108572.3063 300.0526 -187.1639 -163.8020 761884.0868 -5.0381 -4.8688 PRESSURE: 856200 240.154 -15.4907 -62.4906 -15.4907 -231.757 -5.97569 -62.4907 -5.97574 15.8955 GPRESSURE: 856200 243.185 -75.2549 -81.6964 31.8241 -194.306 -72.777 -124.406 -44.3068 67.6367 PRESSAVG: 856200 73.1687 26.0151 -17.5689 26.0151 -60.4566 -39.0652 -17.5689 -39.0653 28.6157 GPRESSAVG: 856200 73.2123 24.3202 -17.6773 26.4902 -59.6228 -38.4043 -16.1249 -39.8407 27.5247 TIMING: 856200 CPU: 2705.07, 0.00314818/step Wall: 2705.07, 0.00314818/step, 3.62373 hours remaining, 236.937500 MB of memory in use. ENERGY: 856200 3892.1505 20613.4639 14565.2938 263.3668 -203160.2798 2656.7338 0.0000 0.0000 52141.9509 -109027.3200 299.6605 -161169.2709 -108656.3877 300.3574 8.0972 38.8386 762230.4566 13.7759 13.7047 LDB: ============= START OF LOAD BALANCING ============== 2717.52 LDB: ============== END OF LOAD BALANCING =============== 2717.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2717.52 LDB: ============= START OF LOAD BALANCING ============== 2717.84 LDB: Largest compute 7073 load 0.035492 is 18.2% of average load 0.195145 LDB: Average compute 0.004409 is 2.3% of average load 0.195145 LDB: TIME 2717.84 LOAD: AVG 0.195145 MAX 0.214508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.988 MB LDB: TIME 2717.84 LOAD: AVG 0.195145 MAX 0.214508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.191 MB LDB: TIME 2717.84 LOAD: AVG 0.195145 MAX 0.214508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.191 MB LDB: ============== END OF LOAD BALANCING =============== 2717.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2717.85 PRESSURE: 856400 113.227 74.6152 -22.351 74.6148 -94.4532 -273.791 -22.3514 -273.791 -297.065 GPRESSURE: 856400 116.458 90.32 11.7428 115.693 -33.2018 -177.875 -172.154 -318.952 -265.607 PRESSAVG: 856400 -20.2531 -29.276 33.5029 -29.2759 -35.0952 -29.2633 33.5029 -29.2633 -3.33876 GPRESSAVG: 856400 -19.7678 -29.2 34.3136 -27.0856 -35.4636 -27.4332 31.5078 -31.9256 -3.79809 TIMING: 856400 CPU: 2705.72, 0.00324475/step Wall: 2705.72, 0.00324475/step, 3.7347 hours remaining, 237.246094 MB of memory in use. ENERGY: 856400 4054.8915 20346.9438 14537.3511 253.5877 -203102.6781 2620.4756 0.0000 0.0000 52270.8593 -109018.5690 300.4013 -161289.4284 -108652.3105 300.2280 -92.7635 -60.7835 762526.1475 -19.5624 -19.6765 PRESSURE: 856600 -29.1126 34.483 208.315 34.4832 -173.563 24.7723 208.315 24.7715 -172.771 GPRESSURE: 856600 -31.2354 76.2734 68.5581 0.557364 -59.8876 56.8208 181.77 -44.1777 -208.262 PRESSAVG: 856600 50.6769 18.61 -10.4037 18.61 -14.4577 -13.4342 -10.4037 -13.4343 -6.51758 GPRESSAVG: 856600 49.8824 20.3268 -11.6948 16.9584 -14.1993 -13.8809 -9.89554 -9.67207 -6.49152 TIMING: 856600 CPU: 2706.35, 0.00317215/step Wall: 2706.35, 0.00317215/step, 3.65097 hours remaining, 237.246094 MB of memory in use. ENERGY: 856600 3955.8951 20415.4524 14478.5903 251.1486 -203111.7849 2544.1450 0.0000 0.0000 52240.5805 -109225.9730 300.2273 -161466.5535 -108860.7056 299.8165 -125.1488 -99.7951 762549.9522 9.9006 9.7305 PRESSURE: 856800 7.56332 107.708 102.75 107.709 -324.93 -163.732 102.75 -163.731 -0.62161 GPRESSURE: 856800 -3.6714 55.1976 225.823 46.873 -210.894 -139.596 19.8577 -195.28 -13.9939 PRESSAVG: 856800 -4.78702 -30.8549 -9.1248 -30.8548 -54.1894 -49.603 -9.12481 -49.603 -18.4103 GPRESSAVG: 856800 -4.25598 -33.3035 -8.68391 -30.3576 -56.4439 -50.6307 -10.4188 -50.1601 -17.3241 TIMING: 856800 CPU: 2706.98, 0.00317072/step Wall: 2706.98, 0.00317072/step, 3.64914 hours remaining, 237.246094 MB of memory in use. ENERGY: 856800 4032.4070 20524.9526 14453.3922 258.4711 -203327.8244 2817.6104 0.0000 0.0000 52033.9747 -109207.0164 299.0400 -161240.9911 -108852.3428 299.8001 -105.9962 -76.1866 762844.8285 -25.7956 -26.0080 PRESSURE: 857000 -5.77368 -215.198 130.625 -215.199 -237.187 -35.0648 130.627 -35.0651 223.657 GPRESSURE: 857000 114.79 -213.209 111.416 -245.017 -270.445 15.724 199.691 -161.604 232.532 PRESSAVG: 857000 27.968 -6.63146 -12.2185 -6.63142 -62.1685 7.29985 -12.2185 7.29985 -29.2256 GPRESSAVG: 857000 28.0729 -4.03359 -14.2544 -8.26836 -61.1539 7.35813 -10.6035 6.91524 -30.0358 TIMING: 857000 CPU: 2707.62, 0.0031709/step Wall: 2707.62, 0.0031709/step, 3.64917 hours remaining, 237.246094 MB of memory in use. ENERGY: 857000 4009.6862 20363.7992 14411.9879 223.9316 -203044.8337 2685.8429 0.0000 0.0000 51926.9425 -109422.6433 298.4249 -161349.5859 -109067.5297 299.1684 -6.4344 25.6258 761295.3845 -21.1420 -21.0389 PRESSURE: 857200 -440.333 -35.3237 -16.9 -35.3231 172.43 275.284 -16.9001 275.283 -230.124 GPRESSURE: 857200 -352.436 7.35019 25.754 -177.63 121.887 327.214 -32.6101 93.4267 -170.961 PRESSAVG: 857200 12.2961 15.7049 9.21611 15.7049 22.9265 14.0477 9.21611 14.0475 18.8407 GPRESSAVG: 857200 12.4079 15.801 11.6578 17.6783 22.3465 13.5307 6.45641 11.8449 19.546 TIMING: 857200 CPU: 2708.25, 0.0031695/step Wall: 2708.25, 0.0031695/step, 3.64738 hours remaining, 237.246094 MB of memory in use. ENERGY: 857200 3921.1452 20414.4884 14516.8165 243.8579 -202438.2013 2213.0465 0.0000 0.0000 51853.9878 -109274.8590 298.0056 -161128.8468 -108909.5513 299.2076 -166.0089 -133.8368 761590.6945 18.0211 18.1002 PRESSURE: 857400 52.7737 54.9311 -303.009 54.9317 172.518 -182.675 -303.008 -182.675 189.393 GPRESSURE: 857400 114.362 15.7116 -298.583 131.134 245.217 -170.047 -258.747 -82.388 126.965 PRESSAVG: 857400 -19.8311 73.0468 -18.3297 73.0468 12.6794 -18.0913 -18.3297 -18.0913 -9.49695 GPRESSAVG: 857400 -19.9447 72.9643 -19.1468 71.8161 13.2735 -15.8045 -18.0649 -17.0213 -10.3125 TIMING: 857400 CPU: 2708.89, 0.00317881/step Wall: 2708.89, 0.00317881/step, 3.65793 hours remaining, 237.246094 MB of memory in use. ENERGY: 857400 3906.0097 20605.8335 14467.4859 233.9206 -203222.5951 2662.0307 0.0000 0.0000 51993.4468 -109353.8679 298.8071 -161347.3148 -108997.6157 298.8021 138.2284 162.1814 761512.5732 -5.5495 -5.6613 PRESSURE: 857600 -96.3077 -41.7899 259.202 -41.7906 -318.401 125.677 259.203 125.676 321.427 GPRESSURE: 857600 -73.4636 53.5262 233.595 -59.0439 -237.409 -2.7098 174.043 291.629 290.237 PRESSAVG: 857600 35.7581 -6.71286 12.6342 -6.71286 -44.7978 -24.114 12.6342 -24.1139 -17.4294 GPRESSAVG: 857600 35.1853 -8.67377 12.3588 -4.9443 -44.7293 -26.3046 13.0902 -24.356 -17.3782 TIMING: 857600 CPU: 2709.53, 0.00319767/step Wall: 2709.53, 0.00319767/step, 3.67945 hours remaining, 237.246094 MB of memory in use. ENERGY: 857600 3869.3966 20580.2758 14468.8864 268.2535 -203148.6298 2339.6017 0.0000 0.0000 52269.8620 -109352.3538 300.3956 -161622.2158 -108997.1860 299.1453 -31.0938 -6.8782 762145.5461 -8.8230 -8.9741 PRESSURE: 857800 46.5191 24.6489 -3.21771 24.6491 -293.24 -271.131 -3.21825 -271.131 447.862 GPRESSURE: 857800 -10.3338 31.5883 -80.9494 -27.1079 -183.057 -230.791 2.81699 -352.427 482.685 PRESSAVG: 857800 37.0656 8.99161 51.4507 8.99164 -27.1212 -27.2074 51.4507 -27.2074 27.1038 GPRESSAVG: 857800 36.5185 9.33051 52.6433 9.39621 -28.2558 -25.7349 49.8162 -27.6687 28.3768 TIMING: 857800 CPU: 2710.16, 0.00318049/step Wall: 2710.16, 0.00318049/step, 3.65951 hours remaining, 237.246094 MB of memory in use. ENERGY: 857800 4005.1316 20384.4435 14478.2944 253.1634 -203502.4643 2909.0153 0.0000 0.0000 52228.6602 -109243.7562 300.1588 -161472.4163 -108892.6320 299.3406 67.0470 96.4314 762355.6267 12.3494 12.2132 PRESSURE: 858000 180.002 313.014 -176.626 313.015 -58.6488 164.971 -176.626 164.97 539.43 GPRESSURE: 858000 164.859 292.69 -243.55 248.034 31.8739 184.556 -63.148 134.295 554.471 PRESSAVG: 858000 58.323 25.563 -1.68653 25.563 -15.757 29.4764 -1.6865 29.4765 -14.3809 GPRESSAVG: 858000 58.9628 23.6458 -3.35738 24.024 -14.8177 28.428 -0.102042 30.6871 -15.5746 TIMING: 858000 CPU: 2710.8, 0.00319299/step Wall: 2710.8, 0.00319299/step, 3.67372 hours remaining, 237.246094 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: 858000 3957.2160 20501.1727 14473.4324 220.9837 -203410.8511 2855.0237 0.0000 0.0000 52011.9072 -109391.1153 298.9131 -161403.0225 -109034.2174 299.2868 220.2609 250.4013 760337.6610 9.3950 9.5235 PRESSURE: 858200 264.51 -193.426 -40.8201 -193.427 -322.953 -25.453 -40.8207 -25.4525 -167.066 GPRESSURE: 858200 274.504 -114.738 -14.756 -147.403 -239.615 -98.3417 -99.7218 1.12172 -180.815 PRESSAVG: 858200 1.06974 9.54481 87.9802 9.54479 -38.2748 -0.0625567 87.9802 -0.062609 5.22846 GPRESSAVG: 858200 0.657193 10.5171 89.156 10.3998 -38.0275 1.04787 88.0918 -0.308743 5.57619 TIMING: 858200 CPU: 2711.44, 0.00317435/step Wall: 2711.44, 0.00317435/step, 3.65208 hours remaining, 237.246094 MB of memory in use. ENERGY: 858200 4007.8130 20458.4901 14509.7325 229.0360 -203504.0980 2685.7232 0.0000 0.0000 52065.9673 -109547.3359 299.2238 -161613.3032 -109189.5760 298.6811 -75.1698 -48.6419 762438.4193 -10.6589 -10.5981 PRESSURE: 858400 -56.2114 85.1341 -6.82536 85.1348 12.1584 35.6377 -6.82613 35.6369 35.5544 GPRESSURE: 858400 -45.8665 87.1306 18.1362 38.8038 107.663 6.55987 -185.954 -99.0077 7.351 PRESSAVG: 858400 36.1369 17.133 46.1147 17.133 -47.8767 -46.3714 46.1146 -46.3713 4.34232 GPRESSAVG: 858400 36.3647 19.594 44.977 15.7816 -48.1621 -48.1161 45.678 -46.447 4.93737 TIMING: 858400 CPU: 2712.07, 0.00316438/step Wall: 2712.07, 0.00316438/step, 3.64044 hours remaining, 237.246094 MB of memory in use. ENERGY: 858400 3944.1736 20386.9530 14488.2394 237.0776 -203426.9003 2708.3286 0.0000 0.0000 52027.9405 -109634.1875 299.0053 -161662.1281 -109263.7308 299.2677 -2.8329 23.0490 760519.0860 -2.4658 -2.2867 PRESSURE: 858600 -128.346 -76.5006 221.569 -76.4992 -43.8688 -207.271 221.57 -207.271 152.4 GPRESSURE: 858600 -85.8744 -62.3863 266.697 -85.145 9.91328 -266.963 144.065 -212.801 166.378 PRESSAVG: 858600 43.1659 -15.5759 -18.4238 -15.5759 -2.58199 -20.5878 -18.4238 -20.5877 -1.42621 GPRESSAVG: 858600 42.4386 -16.6683 -17.2577 -14.9922 -2.80511 -19.8666 -19.5547 -20.0095 -0.47617 TIMING: 858600 CPU: 2712.7, 0.00316222/step Wall: 2712.7, 0.00316222/step, 3.63779 hours remaining, 237.246094 MB of memory in use. ENERGY: 858600 3920.6075 20541.6543 14472.1448 249.5313 -203569.1182 2847.5162 0.0000 0.0000 52099.9575 -109437.7065 299.4192 -161537.6641 -109075.0792 298.9329 -6.6048 30.1391 760812.8728 13.0526 13.0524 PRESSURE: 858800 -158.967 -41.3037 -250.425 -41.303 -172.672 80.3913 -250.426 80.3909 -94.4563 GPRESSURE: 858800 -56.8832 -84.4278 -205.216 -169.636 -197.56 117.416 -371.925 159.634 -87.297 PRESSAVG: 858800 13.8229 -13.6599 17.7451 -13.6599 -13.513 -16.735 17.745 -16.735 15.9617 GPRESSAVG: 858800 14.5766 -14.7513 16.9376 -12.7598 -12.1023 -14.9419 17.564 -17.9555 13.9257 TIMING: 858800 CPU: 2713.33, 0.00315011/step Wall: 2713.33, 0.00315011/step, 3.62368 hours remaining, 237.246094 MB of memory in use. ENERGY: 858800 3934.6150 20743.9802 14538.1952 260.3545 -203166.8272 2372.8815 0.0000 0.0000 51916.0086 -109400.7922 298.3620 -161316.8008 -109039.8000 299.5373 -142.0317 -113.9133 761090.7273 5.4239 5.4667 PRESSURE: 859000 -56.1532 148.629 -64.8877 148.629 133.778 62.4427 -64.8879 62.4423 -414.813 GPRESSURE: 859000 2.94367 137.77 -31.8892 114.834 200.328 38.7265 -66.5181 -9.54326 -447.612 PRESSAVG: 859000 66.7819 -41.1764 -39.5304 -41.1765 -41.1021 24.2404 -39.5303 24.2403 1.87553 GPRESSAVG: 859000 66.136 -42.5527 -38.297 -41.9965 -42.0042 22.7464 -37.5616 24.783 3.42949 TIMING: 859000 CPU: 2713.96, 0.00314826/step Wall: 2713.96, 0.00314826/step, 3.62137 hours remaining, 237.246094 MB of memory in use. ENERGY: 859000 4075.4218 20482.4780 14492.0047 243.2587 -203257.2061 2424.1522 0.0000 0.0000 51972.3747 -109567.5160 298.6860 -161539.8907 -109198.6111 299.2363 -112.3959 -81.4467 761676.2556 9.1851 9.1871 PRESSURE: 859200 45.1401 -54.0987 225.302 -54.0993 -33.7988 -222.548 225.302 -222.549 -256.509 GPRESSURE: 859200 128.128 -119.825 259.351 21.6224 41.9116 -202.366 169.032 -204.408 -304.384 PRESSAVG: 859200 12.5822 19.8246 14.1754 19.8247 -25.098 25.1839 14.1754 25.1839 9.24389 GPRESSAVG: 859200 11.4282 21.4384 15.1983 21.981 -23.1262 24.8653 12.2348 25.6724 8.73315 TIMING: 859200 CPU: 2714.6, 0.00317023/step Wall: 2714.6, 0.00317023/step, 3.64646 hours remaining, 237.246094 MB of memory in use. ENERGY: 859200 4046.2225 20406.6490 14533.7968 252.7034 -203467.6425 2606.9668 0.0000 0.0000 52073.0079 -109548.2961 299.2643 -161621.3040 -109176.3851 299.0348 -81.7226 -44.7815 761387.7146 -1.0907 -0.9883 PRESSURE: 859400 185.386 70.5393 162.217 70.5405 27.8124 -89.8409 162.217 -89.8428 128.505 GPRESSURE: 859400 217.502 45.2476 159.24 56.8649 41.2556 -42.1791 40.2444 -149.426 144.223 PRESSAVG: 859400 -37.7525 7.47323 35.0729 7.47329 -4.84117 -26.4403 35.0728 -26.4403 -15.3389 GPRESSAVG: 859400 -36.7307 5.52238 33.6532 4.77833 -7.27711 -25.9698 34.709 -26.3001 -14.4968 TIMING: 859400 CPU: 2715.23, 0.00315921/step Wall: 2715.23, 0.00315921/step, 3.63361 hours remaining, 237.246094 MB of memory in use. ENERGY: 859400 3937.0084 20548.6314 14481.2682 252.2547 -203769.5726 2937.0319 0.0000 0.0000 52058.3835 -109554.9945 299.1802 -161613.3780 -109213.2816 298.7235 113.9010 134.3270 763143.2852 -19.3108 -19.5015 PRESSURE: 859600 31.3433 80.096 44.9754 80.0965 -329.905 -69.231 44.975 -69.2308 -274.38 GPRESSURE: 859600 -7.43645 28.4232 144.135 25.9259 -207.6 -43.2014 7.19436 -151.978 -257.259 PRESSAVG: 859600 7.82475 0.268829 -8.62808 0.268841 33.7776 -37.6656 -8.62811 -37.6655 0.449036 GPRESSAVG: 859600 8.87852 1.59069 -8.54418 2.57603 33.9732 -37.7098 -8.25774 -38.4458 -1.00018 TIMING: 859600 CPU: 2715.85, 0.00313249/step Wall: 2715.85, 0.00313249/step, 3.60271 hours remaining, 237.246094 MB of memory in use. ENERGY: 859600 4047.2987 20479.4170 14478.5930 249.5956 -203317.3481 2470.6185 0.0000 0.0000 52098.9512 -109492.8741 299.4134 -161591.8253 -109127.4091 298.9548 -190.9805 -157.4317 762235.9136 14.0171 13.9505 PRESSURE: 859800 64.6204 173.457 106.615 173.456 -65.8732 192.098 106.615 192.098 24.1618 GPRESSURE: 859800 71.8761 108.867 48.158 140.581 46.4624 122.229 89.3659 79.2138 5.94236 PRESSAVG: 859800 -24.2717 6.59022 51.851 6.59024 -9.81114 -30.0629 51.851 -30.0629 20.7746 GPRESSAVG: 859800 -25.4075 5.14481 50.9614 6.06385 -9.06493 -31.5412 54.5691 -30.1812 21.4142 TIMING: 859800 CPU: 2716.49, 0.00315405/step Wall: 2716.49, 0.00315405/step, 3.62733 hours remaining, 237.246094 MB of memory in use. ENERGY: 859800 3907.8050 20567.9991 14502.4975 246.5321 -203617.2019 2729.5246 0.0000 0.0000 52211.0079 -109451.8358 300.0574 -161662.8437 -109088.0538 299.3510 7.6363 41.4270 761173.0071 -4.4361 -4.3527 PRESSURE: 860000 -253.335 -152.261 46.2895 -152.261 -104.316 130.266 46.2898 130.266 -132.694 GPRESSURE: 860000 -159.723 -111.546 6.84264 -182.543 -60.8879 68.3318 55.6762 285.774 -206.779 PRESSAVG: 860000 -16.0847 19.1149 15.9699 19.1148 -3.37746 -0.883336 15.9699 -0.883462 3.64277 GPRESSAVG: 860000 -15.2226 23.3905 16.7373 15.7546 -3.67792 -1.21784 14.7073 0.941163 3.66279 TIMING: 860000 CPU: 2717.12, 0.00316773/step Wall: 2717.12, 0.00316773/step, 3.64289 hours remaining, 237.246094 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: 860000 4035.3434 20657.2894 14467.4250 252.5527 -203420.1683 2542.7680 0.0000 0.0000 52310.2013 -109154.5885 300.6274 -161464.7898 -108805.0840 299.4755 -163.4484 -142.4633 762619.6111 -5.2731 -5.0792 PRESSURE: 860200 -99.6258 308.615 153.315 308.615 -416.982 105.367 153.315 105.368 66.804 GPRESSURE: 860200 -92.0248 273.625 88.6902 211.227 -358.028 103.28 110.696 59.7631 73.5429 PRESSAVG: 860200 21.7028 3.24109 18.1949 3.24112 -7.59014 11.2272 18.1949 11.2272 15.3043 GPRESSAVG: 860200 21.9815 0.364696 17.669 4.90422 -6.63942 12.4549 18.1878 8.9578 13.9994 TIMING: 860200 CPU: 2717.75, 0.00317085/step Wall: 2717.75, 0.00317085/step, 3.6463 hours remaining, 237.246094 MB of memory in use. ENERGY: 860200 4008.8165 20910.0748 14542.6605 244.9282 -203202.0254 2393.4734 0.0000 0.0000 51822.5021 -109279.5699 297.8246 -161102.0720 -108915.0526 299.5712 -149.9345 -125.5033 761246.7384 9.8057 9.7805 LDB: ============= START OF LOAD BALANCING ============== 2730.2 LDB: ============== END OF LOAD BALANCING =============== 2730.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2730.21 LDB: ============= START OF LOAD BALANCING ============== 2730.52 LDB: Largest compute 7034 load 0.037591 is 19.3% of average load 0.195024 LDB: Average compute 0.004407 is 2.3% of average load 0.195024 LDB: TIME 2730.53 LOAD: AVG 0.195024 MAX 0.210886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.07 MB LDB: TIME 2730.53 LOAD: AVG 0.195024 MAX 0.210886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.109 MB LDB: TIME 2730.53 LOAD: AVG 0.195024 MAX 0.210886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.109 MB LDB: ============== END OF LOAD BALANCING =============== 2730.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2730.53 PRESSURE: 860400 -216.172 37.6846 0.827084 37.6837 -351.346 -65.2987 0.826944 -65.2993 -132.379 GPRESSURE: 860400 -86.5858 127.352 64.2385 103.423 -307.24 -153.577 -2.93102 8.50477 -231.202 PRESSAVG: 860400 17.8038 -13.6125 61.9279 -13.6125 -22.2467 -37.1396 61.9279 -37.1397 8.12627 GPRESSAVG: 860400 17.7265 -15.6883 63.7119 -12.6324 -23.5306 -37.0238 61.1579 -37.3168 9.34555 TIMING: 860400 CPU: 2718.4, 0.00322148/step Wall: 2718.4, 0.00322149/step, 3.70435 hours remaining, 236.535156 MB of memory in use. ENERGY: 860400 4037.8627 20638.6373 14466.2352 252.4052 -203307.4457 2453.4473 0.0000 0.0000 52210.1282 -109248.7298 300.0523 -161458.8580 -108877.7709 299.6770 -233.2989 -208.3425 761064.7562 1.2278 1.1805 PRESSURE: 860600 -142.619 -96.5563 118.45 -96.5564 -192.083 177.534 118.45 177.535 300.566 GPRESSURE: 860600 -108.15 19.5778 223.755 33.6968 -160.003 172.358 28.6579 216.645 281.442 PRESSAVG: 860600 -42.4014 -0.787422 33.2998 -0.787455 34.7255 -27.5729 33.2998 -27.5729 8.5634 GPRESSAVG: 860600 -42.5002 0.568719 30.9779 0.9168 34.6556 -25.9458 33.7248 -26.221 8.96867 TIMING: 860600 CPU: 2719.03, 0.0031744/step Wall: 2719.03, 0.0031744/step, 3.65003 hours remaining, 236.738281 MB of memory in use. ENERGY: 860600 3943.5818 20583.3465 14490.0934 268.2196 -202874.4276 2362.3610 0.0000 0.0000 52041.9508 -109184.8745 299.0858 -161226.8253 -108820.7168 299.8368 -11.3786 4.4298 761482.3394 0.2958 0.3747 PRESSURE: 860800 -155.826 -18.7273 -38.1409 -18.7264 68.1101 -100.367 -38.1402 -100.368 -279.387 GPRESSURE: 860800 -52.341 -22.1807 27.7088 -77.2583 20.5929 -55.8932 78.2727 -134.899 -260.515 PRESSAVG: 860800 -28.0732 -59.5189 50.018 -59.5189 -12.3886 -32.9741 50.0181 -32.9742 -1.69144 GPRESSAVG: 860800 -26.996 -58.8855 51.0719 -61.4069 -13.9263 -32.6464 50.6245 -34.4714 -1.19385 TIMING: 860800 CPU: 2719.67, 0.00317482/step Wall: 2719.67, 0.00317482/step, 3.65034 hours remaining, 236.738281 MB of memory in use. ENERGY: 860800 4056.7041 20525.7533 14543.0934 245.8834 -203169.3242 2569.2797 0.0000 0.0000 52081.1383 -109147.4720 299.3110 -161228.6103 -108780.3426 299.5021 -122.3679 -97.4211 761789.2836 -14.0511 -14.0387 PRESSURE: 861000 -166.347 74.6798 63.8351 74.6796 89.56 -233.973 63.8357 -233.973 -328.295 GPRESSURE: 861000 -69.7005 103.967 99.5656 109.082 89.7665 -319.973 151.524 -132.648 -319.228 PRESSAVG: 861000 52.8353 -11.9492 87.2831 -11.9492 -37.7036 -3.90778 87.2831 -3.90774 9.25667 GPRESSAVG: 861000 52.4546 -14.4824 87.5517 -11.1997 -36.3713 -6.47376 87.3598 -2.99462 7.9323 TIMING: 861000 CPU: 2720.3, 0.00317786/step Wall: 2720.3, 0.00317786/step, 3.65366 hours remaining, 236.738281 MB of memory in use. ENERGY: 861000 3956.2698 20524.4821 14524.7769 240.9464 -203186.9600 2641.9603 0.0000 0.0000 52171.3549 -109127.1695 299.8295 -161298.5245 -108760.8416 299.4355 -135.0273 -99.7207 761415.4078 8.1295 8.0052 PRESSURE: 861200 2.75803 36.4007 32.8918 36.401 -314.787 -87.1535 32.8919 -87.1544 -17.0572 GPRESSURE: 861200 45.5352 -75.2526 9.86934 43.8207 -195.356 -103.041 7.73671 -17.667 -107.19 PRESSAVG: 861200 -23.7876 6.99048 71.7894 6.99047 -0.214834 7.0288 71.7894 7.02886 22.9999 GPRESSAVG: 861200 -24.6571 8.44721 69.2631 8.75785 0.221848 6.39373 70.1746 8.61255 23.7075 TIMING: 861200 CPU: 2720.94, 0.00319105/step Wall: 2720.94, 0.00319106/step, 3.66865 hours remaining, 236.738281 MB of memory in use. ENERGY: 861200 4004.3774 20574.8280 14510.2509 241.8194 -203257.7350 2586.1741 0.0000 0.0000 52143.9595 -109196.3258 299.6721 -161340.2854 -108833.6522 299.3338 -109.6953 -85.6702 761706.4215 -0.3342 -0.2426 PRESSURE: 861400 32.5327 -193.158 159.705 -193.157 10.557 282.458 159.705 282.457 -203.428 GPRESSURE: 861400 27.7222 -221.36 94.2217 -345.545 90.2122 338.404 267.08 187.252 -200.955 PRESSAVG: 861400 26.8461 3.22686 57.862 3.2269 -29.9987 24.5419 57.8621 24.5418 8.20372 GPRESSAVG: 861400 26.8881 2.72227 59.7299 1.8763 -30.101 23.8917 60.1855 23.2467 8.40473 TIMING: 861400 CPU: 2721.58, 0.00319737/step Wall: 2721.58, 0.00319737/step, 3.67573 hours remaining, 236.738281 MB of memory in use. ENERGY: 861400 3986.7334 20585.8350 14485.8713 234.2328 -203060.4742 2392.2159 0.0000 0.0000 52234.5655 -109141.0203 300.1928 -161375.5858 -108771.5132 299.3563 -53.4460 -27.6736 762725.1141 1.6837 1.7306 PRESSURE: 861600 336.67 -41.0225 58.3356 -41.0221 136.404 -74.3395 58.3357 -74.3391 157.894 GPRESSURE: 861600 393.321 -13.0625 4.04104 -106.936 8.30061 -108.56 54.4749 -14.6135 301.984 PRESSAVG: 861600 43.4367 -49.4763 54.9677 -49.4763 -47.3667 -41.9614 54.9677 -41.9613 -12.243 GPRESSAVG: 861600 43.4573 -51.0668 53.104 -48.1343 -48.1046 -39.8561 53.4901 -40.4 -11.486 TIMING: 861600 CPU: 2722.22, 0.00318932/step Wall: 2722.22, 0.00318932/step, 3.6663 hours remaining, 236.738281 MB of memory in use. ENERGY: 861600 3932.9627 20441.4793 14483.4399 250.1457 -203061.4608 2597.7170 0.0000 0.0000 52313.2675 -109042.4487 300.6451 -161355.7162 -108679.2886 299.4648 210.3229 234.5353 760929.3988 -5.3910 -5.3778 PRESSURE: 861800 -146.91 -215.23 -51.1001 -215.23 316.578 -153.786 -51.0994 -153.786 -131.962 GPRESSURE: 861800 -141.274 -166.048 5.6142 -131.038 422.427 -138.487 -76.0786 -208.009 -148.324 PRESSAVG: 861800 -32.99 -34.7664 39.9981 -34.7664 33.3348 -65.9404 39.9981 -65.9404 1.20832 GPRESSAVG: 861800 -33.0595 -31.5071 41.5914 -35.2218 34.6076 -67.3345 40.0365 -68.5229 0.451537 TIMING: 861800 CPU: 2722.86, 0.00320916/step Wall: 2722.86, 0.00320916/step, 3.68893 hours remaining, 236.738281 MB of memory in use. ENERGY: 861800 3981.3807 20517.7426 14490.1221 239.4049 -202940.7114 2697.7023 0.0000 0.0000 52118.3106 -108896.0481 299.5246 -161014.3587 -108535.0711 299.9945 12.5685 44.2760 761653.4938 0.5177 0.6666 PRESSURE: 862000 -20.0323 -44.9234 55.3167 -44.9241 -256.695 -183.215 55.3162 -183.215 505.317 GPRESSURE: 862000 71.5396 -31.6318 44.3495 -95.9461 -153.232 -127.844 6.57921 -191.215 415.305 PRESSAVG: 862000 -48.2604 -8.19139 50.9409 -8.19142 29.7794 37.0767 50.9409 37.0767 -7.40453 GPRESSAVG: 862000 -47.7094 -10.2986 51.9158 -10.5373 30.3407 38.6807 52.1286 36.5352 -7.95118 TIMING: 862000 CPU: 2723.5, 0.00320091/step Wall: 2723.5, 0.00320091/step, 3.67927 hours remaining, 236.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 3895.7833 20549.9610 14527.7024 244.1648 -203111.1403 2896.8337 0.0000 0.0000 52095.2297 -108901.4653 299.3920 -160996.6951 -108536.0444 299.6203 76.1967 111.2043 761176.0721 -8.6285 -8.4400 PRESSURE: 862200 -198.258 -87.1084 -262.2 -87.1079 -300.124 214.853 -262.2 214.854 -115.249 GPRESSURE: 862200 -197.915 -11.6981 -253.132 -122.318 -237.314 239.019 -233.561 294.721 -100.98 PRESSAVG: 862200 40.1141 -61.6272 -37.3199 -61.6272 -39.2595 66.2022 -37.3198 66.2022 -2.69012 GPRESSAVG: 862200 39.5445 -59.5438 -39.2743 -61.4525 -39.1984 66.1306 -39.436 66.0067 -2.25878 TIMING: 862200 CPU: 2724.13, 0.00316782/step Wall: 2724.13, 0.00316782/step, 3.64105 hours remaining, 236.738281 MB of memory in use. ENERGY: 862200 4028.5925 20572.3579 14523.0086 261.7980 -202672.4615 2515.1422 0.0000 0.0000 52247.3002 -108524.2621 300.2660 -160771.5623 -108172.4035 300.3115 -204.5436 -178.7365 763765.1148 -0.6118 -0.6376 PRESSURE: 862400 -54.0729 -31.6546 -41.9796 -31.6544 82.5453 -218.402 -41.9799 -218.403 466.025 GPRESSURE: 862400 76.3687 145.372 -25.4737 14.6944 56.7501 -222.653 -115.021 -203.033 455.922 PRESSAVG: 862400 10.2192 -34.188 13.8089 -34.188 -28.9345 11.0693 13.8089 11.0693 13.7176 GPRESSAVG: 862400 10.0167 -35.2555 14.3633 -30.9862 -28.3961 9.24456 14.653 14.3805 13.8242 TIMING: 862400 CPU: 2724.77, 0.00317988/step Wall: 2724.77, 0.00317988/step, 3.65474 hours remaining, 236.738281 MB of memory in use. ENERGY: 862400 3878.5001 20366.9082 14451.1581 268.0142 -202470.7805 2475.4806 0.0000 0.0000 52429.4222 -108601.2970 301.3126 -161030.7192 -108245.2745 301.0740 164.8325 196.3471 763519.3746 -1.6659 -1.5184 PRESSURE: 862600 -143.88 -83.9137 223.053 -83.9137 55.9238 -92.9274 223.054 -92.9271 0.803293 GPRESSURE: 862600 -41.246 -99.9738 246.262 -46.0902 89.1737 -39.1448 169.384 -17.8861 -36.5643 PRESSAVG: 862600 -26.9635 -25.0421 7.12653 -25.0421 22.1522 37.9645 7.12655 37.9645 5.55938 GPRESSAVG: 862600 -26.5289 -23.6555 9.54431 -27.5487 21.1334 38.3276 6.09449 36.1795 5.96581 TIMING: 862600 CPU: 2725.41, 0.00317887/step Wall: 2725.41, 0.00317887/step, 3.65341 hours remaining, 236.738281 MB of memory in use. ENERGY: 862600 4023.4655 20379.0049 14577.3637 228.6253 -202516.4953 2429.3921 0.0000 0.0000 52066.9977 -108811.6461 299.2298 -160878.6439 -108446.1265 300.0556 -29.0509 3.7878 762004.2644 0.2494 0.1901 PRESSURE: 862800 -145.219 -154.85 -93.2309 -154.85 -58.6741 -155.68 -93.2307 -155.68 402.22 GPRESSURE: 862800 -97.6852 -168.381 -206.015 -188.689 8.68569 -167.49 -23.5229 112.403 375.134 PRESSAVG: 862800 33.9289 -11.1161 23.7597 -11.1161 -5.70099 -11.5051 23.7596 -11.5051 -5.84846 GPRESSAVG: 862800 34.5326 -12.1393 23.8596 -11.4009 -6.01104 -12.5155 24.0532 -11.1812 -6.17959 TIMING: 862800 CPU: 2726.04, 0.00316027/step Wall: 2726.04, 0.00316027/step, 3.63186 hours remaining, 236.738281 MB of memory in use. ENERGY: 862800 3876.3504 20541.7085 14526.9146 234.1234 -202500.9140 2458.4744 0.0000 0.0000 52109.9864 -108753.3564 299.4768 -160863.3428 -108399.8892 299.7999 66.1090 95.3783 763755.4572 7.4598 7.4473 PRESSURE: 863000 200.383 -105.825 -188.033 -105.825 257.082 274.73 -188.034 274.731 58.0142 GPRESSURE: 863000 194.49 -115.141 -186.296 -194.382 274.446 389.043 -197.479 159.089 111.952 PRESSAVG: 863000 19.8037 -8.78673 -43.7861 -8.78674 -29.5406 -6.46127 -43.7861 -6.46131 -14.1105 GPRESSAVG: 863000 19.62 -9.30945 -43.952 -7.70836 -28.2575 -3.32784 -43.6309 -7.80641 -15.1432 TIMING: 863000 CPU: 2726.67, 0.00314691/step Wall: 2726.67, 0.00314691/step, 3.61633 hours remaining, 236.738281 MB of memory in use. ENERGY: 863000 3929.4360 20435.2040 14524.2846 255.4645 -203303.2229 2959.6201 0.0000 0.0000 52337.3673 -108861.8465 300.7836 -161199.2138 -108505.6893 299.7678 171.8264 193.6294 762557.8772 -7.9492 -7.9269 PRESSURE: 863200 236.214 13.8477 22.3844 13.8472 86.6282 -275.976 22.3834 -275.974 -166.258 GPRESSURE: 863200 265.469 -2.8133 32.9331 27.3236 135.463 -270.671 53.8659 -184.741 -160.668 PRESSAVG: 863200 43.636 -44.8577 -16.9954 -44.8577 -79.3392 -35.1129 -16.9954 -35.1129 -24.9001 GPRESSAVG: 863200 43.7639 -44.9566 -18.7774 -44.6054 -81.1877 -36.1995 -17.1272 -36.2923 -22.8761 TIMING: 863200 CPU: 2727.3, 0.00317451/step Wall: 2727.3, 0.00317451/step, 3.64786 hours remaining, 236.738281 MB of memory in use. ENERGY: 863200 3960.9904 20546.6648 14558.9308 273.9546 -203170.4738 2868.8045 0.0000 0.0000 52051.7308 -108909.3979 299.1420 -160961.1288 -108556.1344 299.8851 52.1949 80.0879 762455.1354 -20.2011 -20.1000 PRESSURE: 863400 -109.445 -195.334 -79.6956 -195.334 74.9265 -257.634 -79.6957 -257.634 -307.398 GPRESSURE: 863400 -172.233 -201.558 -94.6892 -152.17 150.646 -239.346 -101.305 -218.55 -257.972 PRESSAVG: 863400 26.3538 -18.8454 -1.33266 -18.8454 -24.1992 -66.854 -1.33274 -66.854 7.28781 GPRESSAVG: 863400 25.1439 -16.219 0.337602 -20.1069 -22.9597 -67.5862 -1.86744 -65.9011 6.97544 TIMING: 863400 CPU: 2727.94, 0.00319553/step Wall: 2727.94, 0.00319553/step, 3.67184 hours remaining, 236.738281 MB of memory in use. ENERGY: 863400 4024.7767 20648.8313 14545.4884 246.4108 -202941.6581 2477.7079 0.0000 0.0000 52012.2885 -108986.1545 298.9153 -160998.4430 -108617.0118 299.7012 -113.9724 -93.1864 763916.3371 3.1475 3.0532 PRESSURE: 863600 -13.9299 -101.465 98.4768 -101.465 -27.5189 -244.941 98.4764 -244.941 -417.695 GPRESSURE: 863600 -17.8636 -139.798 55.9837 5.25917 66.46 -294.327 89.8477 -233.351 -421.028 PRESSAVG: 863600 -18.7483 -5.94766 44.3458 -5.94769 21.7448 -88.6738 44.3458 -88.6739 -4.84928 GPRESSAVG: 863600 -17.6337 -8.69002 43.3183 -4.71512 20.9248 -89.5275 44.9671 -85.8514 -5.47689 TIMING: 863600 CPU: 2728.59, 0.00322216/step Wall: 2728.59, 0.00322216/step, 3.70226 hours remaining, 236.738281 MB of memory in use. ENERGY: 863600 4079.0522 20587.8410 14526.6679 242.0364 -203342.8830 2705.2477 0.0000 0.0000 52220.8343 -108981.2034 300.1139 -161202.0377 -108629.3482 300.2567 -153.0481 -124.1439 762107.3285 -0.6176 -0.7286 PRESSURE: 863800 -281.892 -196.237 64.727 -196.237 4.86149 97.7575 64.7268 97.7583 30.8478 GPRESSURE: 863800 -151.251 -203.35 85.8061 -265.852 -4.93066 197.409 120.003 -41.6467 -9.65789 PRESSAVG: 863800 25.0359 -72.5234 -31.1006 -72.5234 -26.2815 -30.4872 -31.1006 -30.4872 -19.7223 GPRESSAVG: 863800 25.2144 -73.3404 -30.5184 -71.6422 -26.3762 -26.5816 -29.8237 -32.2609 -20.2563 TIMING: 863800 CPU: 2729.23, 0.00321381/step Wall: 2729.23, 0.00321381/step, 3.69249 hours remaining, 236.738281 MB of memory in use. ENERGY: 863800 4089.4260 20601.5470 14563.3556 242.8966 -202918.0402 2353.8632 0.0000 0.0000 52188.9098 -108878.0421 299.9304 -161066.9518 -108505.3519 300.4606 -82.0608 -55.2800 761327.7897 -6.9893 -7.1394 PRESSURE: 864000 12.5363 -19.491 112.351 -19.4906 27.9873 -76.7407 112.35 -76.7408 93.441 GPRESSURE: 864000 134.329 118.138 116.443 -51.4974 10.8839 -54.3156 148.554 -171.929 98.9902 PRESSAVG: 864000 32.6556 -36.3483 33.9732 -36.3483 0.986035 11.0507 33.9731 11.0509 -1.93098 GPRESSAVG: 864000 31.1815 -33.264 34.5095 -37.6509 2.21429 8.90234 34.3749 9.1827 -1.64121 TIMING: 864000 CPU: 2729.87, 0.00320665/step Wall: 2729.87, 0.00320665/step, 3.68409 hours remaining, 236.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 4013.7236 20453.6520 14538.1221 266.4629 -203214.8227 2598.5374 0.0000 0.0000 52299.1240 -109045.2007 300.5638 -161344.3247 -108690.8694 300.2397 44.6548 81.4011 761385.1967 10.5702 10.5849 PRESSURE: 864200 -31.5712 -153.462 252.82 -153.462 -266.79 -175.142 252.82 -175.143 137.821 GPRESSURE: 864200 21.0587 -146.312 188.092 -179.495 -222.079 -78.9303 223.212 -19.0026 125.378 PRESSAVG: 864200 -23.2058 -15.944 24.6168 -15.9439 6.51774 -80.6859 24.6168 -80.6859 10.377 GPRESSAVG: 864200 -22.4409 -15.4285 23.7359 -17.6785 6.40993 -80.3735 22.6702 -78.7872 9.77159 TIMING: 864200 CPU: 2730.51, 0.00319408/step Wall: 2730.51, 0.00319408/step, 3.66947 hours remaining, 236.738281 MB of memory in use. ENERGY: 864200 3939.3656 20388.4936 14484.6762 241.0895 -202722.4117 2202.4845 0.0000 0.0000 52135.0419 -109331.2604 299.6208 -161466.3023 -108968.4592 299.9936 -53.5134 -25.2143 762021.9382 -2.1037 -2.0864 LDB: ============= START OF LOAD BALANCING ============== 2742.96 LDB: ============== END OF LOAD BALANCING =============== 2742.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2742.97 LDB: ============= START OF LOAD BALANCING ============== 2743.28 LDB: Largest compute 7025 load 0.037199 is 19.1% of average load 0.195003 LDB: Average compute 0.004420 is 2.3% of average load 0.195003 LDB: TIME 2743.29 LOAD: AVG 0.195003 MAX 0.213268 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.395 MB LDB: TIME 2743.29 LOAD: AVG 0.195003 MAX 0.213268 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: TIME 2743.29 LOAD: AVG 0.195003 MAX 0.213268 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.395 MB LDB: ============== END OF LOAD BALANCING =============== 2743.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2743.29 PRESSURE: 864400 -292.724 -0.334796 49.3699 -0.33472 258.631 0.41741 49.3712 0.41845 -263.331 GPRESSURE: 864400 -141.851 -10.0458 42.5569 -26.9221 225.805 -124.473 28.8929 -24.4336 -315.93 PRESSAVG: 864400 49.2057 -21.2026 26.7558 -21.2025 -72.567 8.05437 26.7558 8.05433 -37.3501 GPRESSAVG: 864400 49.085 -22.9767 27.4996 -19.7591 -73.1289 8.61562 26.8277 8.41107 -36.9945 TIMING: 864400 CPU: 2731.16, 0.00324525/step Wall: 2731.16, 0.00324525/step, 3.72807 hours remaining, 236.535156 MB of memory in use. ENERGY: 864400 4006.4530 20569.3192 14611.1847 253.6286 -203367.8576 2512.9623 0.0000 0.0000 52007.2294 -109407.0804 298.8863 -161414.3098 -109057.3379 299.2675 -99.1415 -77.3252 759636.4618 -20.2371 -20.3462 PRESSURE: 864600 -46.2302 -239.899 -9.58016 -239.898 -105.541 -243.801 -9.5804 -243.8 191.315 GPRESSURE: 864600 -1.30714 -147.924 -43.8678 -285.623 -52.5919 -195.864 -13.7964 -155.164 172.068 PRESSAVG: 864600 65.4675 -26.2007 0.509873 -26.2008 -43.7723 21.832 0.509921 21.8321 -18.7576 GPRESSAVG: 864600 66.7672 -26.0274 -1.2529 -25.3951 -45.0895 20.3255 3.55433 20.7336 -18.3136 TIMING: 864600 CPU: 2731.79, 0.00318528/step Wall: 2731.79, 0.00318528/step, 3.659 hours remaining, 236.535156 MB of memory in use. ENERGY: 864600 4002.2154 20317.7254 14519.5201 234.8685 -203533.8418 2687.2674 0.0000 0.0000 52036.6119 -109735.6331 299.0551 -161772.2450 -109367.2190 298.6112 13.1813 39.3896 760212.6736 0.9792 1.1214 PRESSURE: 864800 -108.408 61.7293 16.8812 61.7294 49.8821 -104.965 16.8823 -104.965 128.187 GPRESSURE: 864800 21.9221 69.0119 58.3032 143.061 -29.3258 -66.3595 -64.9793 -168.156 160.635 PRESSAVG: 864800 110.211 -33.758 3.31506 -33.758 -88.716 21.9022 3.31506 21.9023 16.6033 GPRESSAVG: 864800 109.121 -32.807 3.71085 -32.9115 -86.5836 22.2783 1.02243 23.8361 15.5317 TIMING: 864800 CPU: 2732.43, 0.00318894/step Wall: 2732.43, 0.00318894/step, 3.66303 hours remaining, 236.535156 MB of memory in use. ENERGY: 864800 3949.1966 20436.7211 14478.2014 248.4162 -203336.0467 2592.2174 0.0000 0.0000 51777.5002 -109853.7938 297.5660 -161631.2940 -109496.7844 298.3882 23.2203 51.0769 761406.5831 12.6995 12.6896 PRESSURE: 865000 43.9492 4.13534 72.4188 4.13603 -237.143 344.372 72.4189 344.372 191.084 GPRESSURE: 865000 0.490358 -36.693 199.997 142.991 -176.384 265.05 108.039 280.557 250.524 PRESSAVG: 865000 66.8146 11.8599 -17.0729 11.8599 -98.8411 31.2786 -17.0729 31.2786 -13.565 GPRESSAVG: 865000 67.561 11.9835 -16.0348 12.4247 -99.9646 30.1686 -17.6558 28.8305 -13.2492 TIMING: 865000 CPU: 2733.07, 0.00320455/step Wall: 2733.07, 0.00320455/step, 3.68078 hours remaining, 236.535156 MB of memory in use. ENERGY: 865000 3943.9173 20536.9007 14499.3026 246.8907 -203496.8221 2471.5925 0.0000 0.0000 51839.4253 -109958.7930 297.9219 -161798.2183 -109608.3822 297.7820 -0.7030 24.8769 761645.3050 -15.1971 -15.2176 PRESSURE: 865200 166.248 17.9073 442.834 17.9082 -56.7687 176.965 442.834 176.965 -42.7559 GPRESSURE: 865200 126.722 90.9227 520.824 -51.8841 33.0814 200.487 367.165 94.7537 -16.0693 PRESSAVG: 865200 15.6036 -28.9209 41.5438 -28.921 -37.5869 -20.0427 41.5437 -20.0427 23.6122 GPRESSAVG: 865200 16.612 -28.6609 40.4409 -30.6304 -38.6031 -18.5497 41.9502 -18.8956 23.4471 TIMING: 865200 CPU: 2733.71, 0.00319236/step Wall: 2733.71, 0.00319236/step, 3.6666 hours remaining, 236.535156 MB of memory in use. ENERGY: 865200 3970.1816 20475.4460 14440.5974 250.7307 -203602.4582 2557.1619 0.0000 0.0000 52143.4637 -109764.8768 299.6692 -161908.3405 -109410.3695 298.5629 22.2410 47.9113 760625.1738 0.5430 0.4853 PRESSURE: 865400 180.849 46.4611 -178.068 46.461 102.356 -273.504 -178.068 -273.503 183.315 GPRESSURE: 865400 297.044 -90.2172 -210.735 -122.263 113.781 -277.61 -22.8271 -167.1 151.692 PRESSAVG: 865400 -1.71171 41.5829 47.0047 41.5829 -14.5379 14.3033 47.0047 14.3033 -11.5746 GPRESSAVG: 865400 -2.79025 38.6659 47.8531 41.8221 -14.8103 13.6354 46.5212 13.2794 -10.5186 TIMING: 865400 CPU: 2734.34, 0.00316326/step Wall: 2734.34, 0.00316326/step, 3.63301 hours remaining, 236.535156 MB of memory in use. ENERGY: 865400 3917.9123 20497.1521 14446.1155 260.1425 -203322.1475 2680.6513 0.0000 0.0000 51832.3830 -109687.7908 297.8814 -161520.1738 -109329.2935 299.0839 155.5068 187.5055 762139.6619 -9.2747 -9.3731 PRESSURE: 865600 -153.704 -202.002 12.5679 -202.002 98.7723 -194.91 12.5679 -194.91 41.5773 GPRESSURE: 865600 -216.157 -193.704 35.2258 -105.711 151.482 -159.807 41.1878 -215.925 145.261 PRESSAVG: 865600 5.3678 -11.9063 3.80237 -11.9064 2.95869 -54.8705 3.80232 -54.8705 -34.2737 GPRESSAVG: 865600 5.43787 -10.8567 4.33458 -11.611 3.19305 -54.1481 3.00968 -53.6695 -34.6768 TIMING: 865600 CPU: 2734.98, 0.00317342/step Wall: 2734.98, 0.00317342/step, 3.6445 hours remaining, 236.535156 MB of memory in use. ENERGY: 865600 3874.6396 20498.8110 14437.1391 232.8471 -203331.4530 2709.4684 0.0000 0.0000 51872.4900 -109706.0578 298.1119 -161578.5479 -109342.5237 298.9182 -4.4513 26.8622 762840.1157 -8.6491 -8.6820 PRESSURE: 865800 -23.2951 129.609 -223.855 129.607 -174.742 -23.63 -223.855 -23.6301 46.7841 GPRESSURE: 865800 -92.7742 307.206 -141.576 173.557 -53.3618 -52.1415 -58.3641 -31.7283 94.9925 PRESSAVG: 865800 -4.9368 24.1535 12.6841 24.1536 22.5851 -27.643 12.6841 -27.6431 -26.6873 GPRESSAVG: 865800 -5.7866 25.2449 13.0147 24.9958 23.5656 -27.843 13.4539 -27.3913 -26.5285 TIMING: 865800 CPU: 2735.61, 0.00316863/step Wall: 2735.61, 0.00316863/step, 3.63882 hours remaining, 236.535156 MB of memory in use. ENERGY: 865800 4042.5703 20465.3737 14454.2007 246.2538 -203747.4484 2773.8802 0.0000 0.0000 52171.2670 -109593.9028 299.8290 -161765.1697 -109236.6174 299.0584 -50.4178 -17.0479 760786.0792 -3.0130 -2.9165 PRESSURE: 866000 171.014 21.5031 251.824 21.5036 -208.155 -4.61734 251.824 -4.61755 514.588 GPRESSURE: 866000 145.189 -11.1804 332.976 20.7342 -192.184 -72.9495 48.9479 43.0036 595.716 PRESSAVG: 866000 44.6276 -23.9331 19.7408 -23.9331 -23.2353 -45.2194 19.7407 -45.2194 8.61003 GPRESSAVG: 866000 45.7976 -23.0517 19.0785 -25.0605 -24.704 -44.4363 20.2517 -47.0123 8.71454 TIMING: 866000 CPU: 2736.25, 0.0031832/step Wall: 2736.25, 0.0031832/step, 3.65537 hours remaining, 236.535156 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: 866000 3944.8255 20429.2222 14499.0878 229.5379 -202967.3864 2209.7224 0.0000 0.0000 52078.3447 -109576.6459 299.2950 -161654.9906 -109219.4817 299.0726 159.1487 182.9070 762068.7743 10.0008 9.9360 PRESSURE: 866200 -99.0125 202.788 31.6987 202.788 -37.6964 110.151 31.6984 110.151 115.168 GPRESSURE: 866200 22.6239 122.292 94.6211 232.342 -82.1349 55.2763 25.3687 203.225 92.2781 PRESSAVG: 866200 37.6261 10.8536 -11.6988 10.8535 -30.6541 39.797 -11.6988 39.7971 -5.80967 GPRESSAVG: 866200 37.3511 7.93813 -10.3729 9.89699 -30.9097 39.141 -12.8454 40.4364 -5.57683 TIMING: 866200 CPU: 2736.89, 0.00319537/step Wall: 2736.89, 0.00319537/step, 3.66917 hours remaining, 236.535156 MB of memory in use. ENERGY: 866200 3955.6699 20668.2531 14455.9763 259.0996 -203489.7160 2612.0403 0.0000 0.0000 51978.4528 -109560.2240 298.7209 -161538.6767 -109202.3224 299.0672 -7.1802 10.9224 760505.8958 0.3874 0.2882 PRESSURE: 866400 30.3369 47.5101 -254.693 47.5104 1.14902 -97.9592 -254.693 -97.9601 254.398 GPRESSURE: 866400 34.9203 90.4249 -86.0516 52.7687 11.2244 -88.8963 -387.65 -104.498 322.97 PRESSAVG: 866400 37.588 14.695 -0.0388345 14.6949 -26.1117 6.74212 -0.0388702 6.7421 17.5484 GPRESSAVG: 866400 39.0949 16.2904 -1.53899 16.4595 -25.815 6.18104 0.274741 8.6866 16.4539 TIMING: 866400 CPU: 2737.53, 0.00319043/step Wall: 2737.53, 0.00319043/step, 3.66332 hours remaining, 236.535156 MB of memory in use. ENERGY: 866400 3985.8332 20452.0305 14480.9649 251.1746 -203585.8223 2648.7107 0.0000 0.0000 52247.9144 -109519.1940 300.2695 -161767.1085 -109153.6289 299.7363 95.2948 123.0382 759538.8634 9.6749 9.9113 PRESSURE: 866600 30.4255 -9.02979 -251.977 -9.0297 -63.4405 116.957 -251.977 116.957 -190.484 GPRESSURE: 866600 -0.65924 -97.5241 -251.929 32.2488 16.5776 125.777 -230.576 170.768 -143.667 PRESSAVG: 866600 7.29097 -58.6664 -96.259 -58.6665 -51.3183 -0.424794 -96.259 -0.424744 17.4274 GPRESSAVG: 866600 5.68267 -58.2124 -97.3564 -59.8378 -50.5078 0.385829 -95.7438 -2.70924 18.0718 TIMING: 866600 CPU: 2738.17, 0.00319145/step Wall: 2738.17, 0.00319145/step, 3.66431 hours remaining, 236.535156 MB of memory in use. ENERGY: 866600 3887.7636 20506.6652 14519.9845 274.6813 -203226.1670 2626.3852 0.0000 0.0000 51965.3128 -109445.3745 298.6454 -161410.6873 -109075.4546 299.2803 -74.4996 -42.5830 761181.1864 -8.8666 -8.9178 PRESSURE: 866800 -313.022 -228.122 -85.1864 -228.121 -296.507 -78.8301 -85.1856 -78.8293 -270.689 GPRESSURE: 866800 -248.841 -169.281 -132.644 -300.295 -285.738 3.18926 109.947 -41.5998 -243.696 PRESSAVG: 866800 -11.2413 -2.56266 8.88373 -2.56263 -0.351464 -4.76193 8.88377 -4.76196 15.38 GPRESSAVG: 866800 -9.0211 -3.54306 8.83564 -1.32165 -1.74138 -5.42221 11.4624 -1.86656 14.9474 TIMING: 866800 CPU: 2738.8, 0.00317604/step Wall: 2738.8, 0.00317604/step, 3.64645 hours remaining, 236.535156 MB of memory in use. ENERGY: 866800 3984.6185 20485.0018 14443.5967 254.1920 -202872.6801 2374.2733 0.0000 0.0000 52152.8116 -109178.1862 299.7229 -161330.9978 -108809.1754 299.5386 -293.4061 -259.4250 762973.3278 1.2624 1.3950 PRESSURE: 867000 -156.923 112.134 -79.8276 112.134 -109.856 -51.4345 -79.8272 -51.4345 -269.779 GPRESSURE: 867000 -104.216 9.12426 -19.1236 38.0932 -141.54 10.9549 27.2824 -9.21422 -214.791 PRESSAVG: 867000 45.127 -33.9887 -4.94444 -33.9887 -35.4369 45.0684 -4.94445 45.0684 17.6191 GPRESSAVG: 867000 44.2596 -34.3624 -2.79849 -36.1794 -33.9877 44.9473 -7.17801 42.6378 17.3375 TIMING: 867000 CPU: 2739.43, 0.0031588/step Wall: 2739.43, 0.0031588/step, 3.62648 hours remaining, 236.535156 MB of memory in use. ENERGY: 867000 4006.4452 20393.0690 14505.8493 245.6293 -203118.6508 2374.7705 0.0000 0.0000 52363.5992 -109229.2884 300.9343 -161592.8876 -108874.1526 299.5895 -178.8526 -153.5159 763551.4950 9.1031 9.2031 PRESSURE: 867200 72.1276 84.6667 7.82987 84.6666 2.81461 -161.714 7.83031 -161.714 -373.193 GPRESSURE: 867200 139.762 139.231 -73.1879 45.7567 -37.1618 -252.037 32.9301 -127.861 -322.925 PRESSAVG: 867200 39.3834 29.2655 -12.1853 29.2654 -7.90616 2.90636 -12.1854 2.90638 10.9471 GPRESSAVG: 867200 38.6229 28.9585 -13.2438 30.2051 -7.05009 4.1053 -12.7841 0.603618 10.9637 TIMING: 867200 CPU: 2740.06, 0.00315767/step Wall: 2740.06, 0.00315767/step, 3.62501 hours remaining, 236.535156 MB of memory in use. ENERGY: 867200 3949.7889 20431.4889 14474.4007 244.0227 -202754.4857 2234.4727 0.0000 0.0000 52149.3518 -109270.9601 299.7030 -161420.3118 -108908.8997 299.7015 -99.4169 -73.4418 762440.1550 14.1414 14.1789 PRESSURE: 867400 53.9132 53.5728 -10.9335 53.5729 -34.4135 21.0847 -10.9338 21.0851 -270.937 GPRESSURE: 867400 76.9753 120.75 6.54632 45.3334 18.5919 64.4005 -94.2241 137.903 -278.881 PRESSAVG: 867400 27.2888 -20.7097 -84.3938 -20.7097 1.2431 -24.0522 -84.3938 -24.0521 2.51188 GPRESSAVG: 867400 27.3252 -21.6353 -84.1611 -20.3541 0.697516 -24.8865 -84.3749 -21.7715 3.34037 TIMING: 867400 CPU: 2740.71, 0.00321344/step Wall: 2740.71, 0.00321344/step, 3.68885 hours remaining, 236.535156 MB of memory in use. ENERGY: 867400 3951.6465 20532.7618 14487.8656 236.9899 -203229.5810 2630.5696 0.0000 0.0000 51984.5191 -109405.2284 298.7557 -161389.7475 -109043.3698 299.2892 -83.8123 -61.1048 762187.2300 10.3479 10.4544 PRESSURE: 867600 -27.1068 201.356 140.071 201.356 -214.977 -186.101 140.07 -186.101 -256.465 GPRESSURE: 867600 47.392 241.853 3.26893 89.4642 -151.607 -224.217 104.719 -145.621 -297.69 PRESSAVG: 867600 -10.3248 4.58093 26.0046 4.58096 -35.4906 -61.726 26.0046 -61.7259 -6.4516 GPRESSAVG: 867600 -9.28061 5.04116 26.8208 4.46445 -35.5882 -60.9768 24.9978 -62.6302 -7.2175 TIMING: 867600 CPU: 2741.34, 0.00317934/step Wall: 2741.34, 0.00317934/step, 3.64953 hours remaining, 236.535156 MB of memory in use. ENERGY: 867600 3979.7059 20402.3021 14516.2271 246.5088 -202906.8558 2284.6737 0.0000 0.0000 52267.0412 -109210.3968 300.3794 -161477.4380 -108839.8252 299.4552 -166.1832 -133.9685 762622.8629 -17.4223 -17.3621 PRESSURE: 867800 -129.257 -85.6141 -147.095 -85.6147 -10.4531 158.388 -147.095 158.389 -401.216 GPRESSURE: 867800 -86.5194 -70.2196 -219.69 24.2491 -171.129 168.521 -87.5123 91.3931 -212.617 PRESSAVG: 867800 16.8182 -88.3753 -28.9199 -88.3753 22.3216 -49.1754 -28.9199 -49.1754 -40.7264 GPRESSAVG: 867800 15.1596 -87.9885 -29.5043 -87.3522 21.8878 -48.8794 -26.8212 -49.3605 -39.9826 TIMING: 867800 CPU: 2741.98, 0.00316696/step Wall: 2741.98, 0.00316696/step, 3.63514 hours remaining, 236.535156 MB of memory in use. ENERGY: 867800 3895.5727 20516.7619 14496.4543 260.5223 -203156.3417 2616.4291 0.0000 0.0000 51937.1086 -109433.4929 298.4833 -161370.6015 -109088.0937 299.2221 -180.3087 -156.7551 762594.3947 -0.5289 -0.9784 PRESSURE: 868000 -13.9347 -40.6007 -48.7728 -40.6001 175.751 141.124 -48.7724 141.124 -109.58 GPRESSURE: 868000 56.023 -105.821 -93.5843 -192.664 160.698 115.863 -6.07455 25.2325 -81.5354 PRESSAVG: 868000 46.7642 -42.2813 -37.0868 -42.2814 -89.3854 -2.90429 -37.0868 -2.90426 -12.3412 GPRESSAVG: 868000 47.1791 -41.5479 -39.1412 -44.4201 -90.1414 -4.58126 -36.76 -4.50849 -12.701 TIMING: 868000 CPU: 2742.61, 0.00317359/step Wall: 2742.61, 0.00317359/step, 3.64257 hours remaining, 236.535156 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: 868000 3960.4990 20581.4276 14491.1665 252.7023 -203071.4317 2311.1748 0.0000 0.0000 52020.3691 -109454.0924 298.9618 -161474.4614 -109095.9762 299.3702 17.4122 45.0618 762879.3946 -18.3208 -18.5544 PRESSURE: 868200 -87.4495 4.4631 18.0101 4.46338 328.991 157.835 18.0111 157.836 124.749 GPRESSURE: 868200 -51.1006 117.551 49.9749 108.472 354.3 227.421 -81.3175 174.488 163.562 PRESSAVG: 868200 21.8667 -29.0807 -48.9069 -29.0807 -27.4359 -15.1542 -48.9069 -15.1542 -19.4714 GPRESSAVG: 868200 22.5255 -28.8812 -47.9234 -27.1514 -26.9832 -14.6547 -49.1197 -13.6203 -20.9925 TIMING: 868200 CPU: 2743.25, 0.00318768/step Wall: 2743.25, 0.00318768/step, 3.65858 hours remaining, 236.535156 MB of memory in use. ENERGY: 868200 4017.4762 20521.3751 14510.6899 228.3913 -203445.0150 2812.8120 0.0000 0.0000 51961.5632 -109392.7072 298.6238 -161354.2705 -109028.6363 299.2853 122.0969 155.5874 760865.3498 -8.3469 -8.4834 LDB: ============= START OF LOAD BALANCING ============== 2755.7 LDB: ============== END OF LOAD BALANCING =============== 2755.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2755.7 LDB: ============= START OF LOAD BALANCING ============== 2756.02 LDB: Largest compute 7025 load 0.036584 is 18.8% of average load 0.195058 LDB: Average compute 0.004416 is 2.3% of average load 0.195058 LDB: TIME 2756.02 LOAD: AVG 0.195058 MAX 0.212052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.844 MB LDB: TIME 2756.02 LOAD: AVG 0.195058 MAX 0.212052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.914 MB LDB: TIME 2756.02 LOAD: AVG 0.195058 MAX 0.212052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.914 MB LDB: ============== END OF LOAD BALANCING =============== 2756.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.03 PRESSURE: 868400 26.0923 -210.506 182.529 -210.507 -43.1591 -186.259 182.528 -186.259 135.176 GPRESSURE: 868400 -26.0455 -215.28 31.6265 -227.896 -19.6071 -166.403 86.226 -214.433 238.593 PRESSAVG: 868400 -31.2524 -74.3135 18.7987 -74.3134 -12.0493 47.6653 18.7986 47.6653 -16.6309 GPRESSAVG: 868400 -32.9424 -75.4659 18.6609 -73.7057 -11.361 47.2843 18.2736 47.2815 -15.5053 TIMING: 868400 CPU: 2743.89, 0.0032206/step Wall: 2743.89, 0.0032206/step, 3.69617 hours remaining, 236.902344 MB of memory in use. ENERGY: 868400 3967.9399 20510.2551 14516.2417 245.9934 -203370.1857 2659.0785 0.0000 0.0000 52094.1456 -109376.5315 299.3858 -161470.6771 -109019.6278 299.1985 39.3696 64.3135 762091.3644 -19.9775 -19.9362 PRESSURE: 868600 -25.2509 45.8861 184.019 45.8873 -167.6 -93.8446 184.019 -93.8441 245.209 GPRESSURE: 868600 97.3389 -66.8885 203.319 -76.4665 -182.36 -44.6019 10.1705 -60.0608 233.019 PRESSAVG: 868600 5.00539 -10.0184 13.5925 -10.0184 8.84049 -55.7307 13.5925 -55.7307 18.4681 GPRESSAVG: 868600 5.82025 -11.0206 14.4292 -10.1051 8.1839 -54.873 12.8843 -55.0617 18.2204 TIMING: 868600 CPU: 2744.52, 0.00315334/step Wall: 2744.52, 0.00315334/step, 3.61881 hours remaining, 237.105469 MB of memory in use. ENERGY: 868600 3938.6132 20510.0187 14505.1862 266.3840 -203435.4391 2852.9731 0.0000 0.0000 51952.2233 -109410.0404 298.5701 -161362.2637 -109048.6692 299.1773 17.4525 49.3325 763397.8158 10.7713 10.7415 PRESSURE: 868800 -521.507 -44.7018 -174.66 -44.702 45.1855 -113.756 -174.661 -113.756 424.886 GPRESSURE: 868800 -499.365 -59.2498 -88.5 -32.1849 146.816 -90.4738 -143.114 -50.4897 386.922 PRESSAVG: 868800 -1.16356 1.7768 -24.9496 1.77676 -33.0353 -8.77133 -24.9496 -8.77134 1.80845 GPRESSAVG: 868800 -1.28381 3.65567 -25.3964 1.99552 -33.2548 -7.74648 -23.935 -9.61123 2.7055 TIMING: 868800 CPU: 2745.16, 0.00316221/step Wall: 2745.16, 0.00316221/step, 3.62881 hours remaining, 237.367188 MB of memory in use. ENERGY: 868800 3988.5055 20534.5922 14518.4062 239.6122 -203063.2305 2377.7602 0.0000 0.0000 51938.1033 -109466.2510 298.4890 -161404.3543 -109109.1518 298.7409 -17.1451 11.4576 762263.9911 -10.7968 -10.6110 PRESSURE: 869000 119.803 28.7325 70.6441 28.7325 -93.6834 -224.246 70.6444 -224.246 -18.6754 GPRESSURE: 869000 179.704 -4.35106 53.2976 -40.2441 -113.874 -139.704 64.3227 -170.698 32.8589 PRESSAVG: 869000 78.8038 -56.9935 59.4553 -56.9935 -40.4477 -26.1984 59.4553 -26.1984 -0.616182 GPRESSAVG: 869000 78.8986 -58.9502 57.4966 -57.3648 -39.8347 -25.5212 58.8915 -27.0727 -1.17324 TIMING: 869000 CPU: 2745.79, 0.00316877/step Wall: 2745.79, 0.00316876/step, 3.63616 hours remaining, 237.367188 MB of memory in use. ENERGY: 869000 4017.8734 20442.4866 14568.0686 255.6557 -203217.5010 2387.2091 0.0000 0.0000 52183.1425 -109363.0651 299.8972 -161546.2076 -109008.2129 299.3683 2.4812 32.8963 760841.8984 12.5800 12.6302 PRESSURE: 869200 -50.4299 -1.11115 195.816 -1.11012 124.223 14.4862 195.816 14.4853 -524.421 GPRESSURE: 869200 17.4176 94.669 73.7359 -113.499 82.3119 57.6107 156.762 41.5745 -475.646 PRESSAVG: 869200 43.1102 -56.8085 12.4987 -56.8085 -29.3961 15.6406 12.4988 15.6406 -0.801086 GPRESSAVG: 869200 43.3002 -55.8964 13.2177 -58.2756 -29.3322 14.5274 12.8451 18.7576 -0.952631 TIMING: 869200 CPU: 2746.42, 0.00316037/step Wall: 2746.42, 0.00316037/step, 3.62635 hours remaining, 237.367188 MB of memory in use. ENERGY: 869200 4048.0412 20622.3686 14511.8051 265.6552 -203420.5128 2621.5739 0.0000 0.0000 52087.6516 -109263.4170 299.3484 -161351.0686 -108900.9237 299.6432 -150.2093 -125.3055 761678.0646 4.3043 4.3385 PRESSURE: 869400 -73.4662 -68.778 199.218 -68.7789 254.584 121.691 199.217 121.691 -65.7144 GPRESSURE: 869400 -56.0782 34.9365 214.424 -58.5212 289.826 14.1348 127.131 13.4933 -32.2864 PRESSAVG: 869400 -34.5268 -33.7069 54.5104 -33.707 52.739 7.14727 54.5103 7.1473 6.4376 GPRESSAVG: 869400 -35.5045 -32.2748 52.9015 -33.4367 52.5445 7.29481 57.0763 3.93568 7.70213 TIMING: 869400 CPU: 2747.05, 0.00314141/step Wall: 2747.05, 0.00314141/step, 3.60442 hours remaining, 237.367188 MB of memory in use. ENERGY: 869400 3883.2497 20596.5380 14527.4926 258.3750 -203006.2839 2361.1853 0.0000 0.0000 51892.5189 -109486.9243 298.2270 -161379.4433 -109131.7260 298.9611 38.4678 67.1538 760338.7991 8.2166 8.2474 PRESSURE: 869600 153.518 198.599 -103.57 198.6 -96.1481 106.964 -103.57 106.964 -75.9331 GPRESSURE: 869600 155.173 157.959 -157.289 161.547 -124.199 51.1305 -118.495 254.892 24.6827 PRESSAVG: 869600 31.0416 -34.5712 -19.2612 -34.5711 4.07985 -9.99001 -19.2612 -9.99 1.6486 GPRESSAVG: 869600 31.443 -37.5227 -15.2669 -33.6093 3.89303 -9.25358 -20.6581 -8.46613 0.999838 TIMING: 869600 CPU: 2747.68, 0.00315018/step Wall: 2747.68, 0.00315018/step, 3.6143 hours remaining, 237.433594 MB of memory in use. ENERGY: 869600 3950.9410 20618.6293 14527.3577 252.4830 -203113.4853 2525.7253 0.0000 0.0000 51670.6724 -109567.6766 296.9521 -161238.3490 -109213.8955 298.9645 -6.1879 18.5523 760808.3413 12.2567 12.1120 PRESSURE: 869800 176.396 -319.307 -146.377 -319.307 -314.339 -39.0425 -146.376 -39.0422 -25.4184 GPRESSURE: 869800 183.753 -162.619 -115.945 -261.294 -277.079 94.2059 -76.3404 28.8014 -0.132977 PRESSAVG: 869800 13.6383 -8.38671 34.2931 -8.38664 -38.4192 20.6534 34.293 20.6534 -6.37873 GPRESSAVG: 869800 14.0606 -7.3314 32.1544 -9.39687 -38.7408 22.2859 33.1112 18.8974 -6.20227 TIMING: 869800 CPU: 2748.31, 0.00315918/step Wall: 2748.31, 0.00315918/step, 3.62445 hours remaining, 237.433594 MB of memory in use. ENERGY: 869800 3943.9704 20490.2926 14434.5126 243.0423 -203261.5228 2487.2183 0.0000 0.0000 52103.5488 -109558.9379 299.4398 -161662.4867 -109210.9433 298.8597 -54.4537 -31.1532 761292.9589 -10.3865 -10.2942 PRESSURE: 870000 -452.908 141.858 62.6088 141.858 -142.985 5.51575 62.6088 5.51683 -258.615 GPRESSURE: 870000 -315.91 60.8732 -66.6056 192.277 -217.191 93.5117 -7.70571 48.4285 -226.776 PRESSAVG: 870000 52.8563 -33.531 47.011 -33.531 -58.8003 15.9309 47.011 15.9309 -12.4112 GPRESSAVG: 870000 53.0412 -33.2101 45.7274 -34.4041 -57.7537 15.0578 48.5503 16.3251 -13.3156 TIMING: 870000 CPU: 2748.94, 0.00316477/step Wall: 2748.94, 0.00316477/step, 3.63069 hours remaining, 237.433594 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: 870000 3980.2040 20358.5785 14428.2590 235.9809 -202874.6716 2039.5949 0.0000 0.0000 52033.9651 -109798.0893 299.0399 -161832.0544 -109434.3862 298.9932 -284.8362 -253.2920 762126.6192 -6.1184 -6.0093 PRESSURE: 870200 244.677 -175.624 31.7712 -175.623 -33.1966 55.4633 31.7712 55.4625 -159.249 GPRESSURE: 870200 260.532 -130.43 14.0572 -249.258 66.0775 115.333 37.751 46.3327 -188.257 PRESSAVG: 870200 37.0598 -37.4259 11.9605 -37.4259 -35.6435 -62.2753 11.9606 -62.2753 2.74504 GPRESSAVG: 870200 37.2444 -37.4938 13.6846 -36.2262 -35.5802 -63.1604 10.0064 -59.1481 2.44175 TIMING: 870200 CPU: 2749.57, 0.00315388/step Wall: 2749.57, 0.00315388/step, 3.61802 hours remaining, 237.433594 MB of memory in use. ENERGY: 870200 3872.6499 20619.6941 14439.2345 250.4724 -203515.8789 2545.3302 0.0000 0.0000 52097.4937 -109691.0042 299.4050 -161788.4978 -109337.8234 298.5606 17.4104 46.1177 760926.4109 1.3871 1.3687 PRESSURE: 870400 462.143 -59.155 -186.476 -59.1546 343.441 119.028 -186.475 119.028 61.8896 GPRESSURE: 870400 536.138 -71.216 -151.62 -62.1609 291.066 66.983 -177.433 10.4457 116.53 PRESSAVG: 870400 -1.11416 -28.3304 -0.413128 -28.3305 -27.927 53.5824 -0.413123 53.5824 -3.70469 GPRESSAVG: 870400 0.551905 -29.2295 0.377861 -27.5723 -30.1782 52.0471 1.46581 52.1272 -2.67405 TIMING: 870400 CPU: 2750.2, 0.00315065/step Wall: 2750.2, 0.00315065/step, 3.61414 hours remaining, 237.433594 MB of memory in use. ENERGY: 870400 3992.9927 20388.3996 14510.7580 253.3242 -203749.5620 2838.8657 0.0000 0.0000 52212.6770 -109552.5449 300.0670 -161765.2219 -109181.5115 298.9066 289.1579 314.5779 758465.0947 -10.9153 -10.7668 PRESSURE: 870600 18.1528 -206.713 71.5476 -206.712 6.18966 -251.926 71.5471 -251.925 122.195 GPRESSURE: 870600 17.9442 -60.7066 -78.0498 -279.698 100.051 -250.472 164.065 -261.543 124.027 PRESSAVG: 870600 30.4745 -25.3279 -17.4894 -25.3279 -0.458019 -11.4367 -17.4894 -11.4367 -1.66185 GPRESSAVG: 870600 29.3969 -24.3542 -18.1376 -27.9019 2.20717 -10.2873 -18.7196 -12.2598 -3.1872 TIMING: 870600 CPU: 2750.84, 0.00315995/step Wall: 2750.84, 0.00315995/step, 3.62464 hours remaining, 237.433594 MB of memory in use. ENERGY: 870600 3996.9572 20504.6989 14404.0592 245.1892 -203346.1863 2587.0680 0.0000 0.0000 51985.6738 -109622.5400 298.7624 -161608.2138 -109256.6709 299.1164 48.8457 80.6743 759496.9395 9.4516 9.4723 PRESSURE: 870800 144.919 -64.7824 90.084 -64.7825 -137.722 210.095 90.084 210.095 -53.6051 GPRESSURE: 870800 148.435 90.0202 -7.08755 -184.912 -95.0048 248.386 155.558 165.743 -6.19941 PRESSAVG: 870800 51.1019 -34.4201 28.8988 -34.42 -50.4701 10.4747 28.8988 10.4747 -0.574475 GPRESSAVG: 870800 50.5954 -35.0917 29.9111 -31.2526 -50.2728 9.158 29.4887 11.7359 -0.146645 TIMING: 870800 CPU: 2751.47, 0.00315763/step Wall: 2751.47, 0.00315763/step, 3.6218 hours remaining, 237.433594 MB of memory in use. ENERGY: 870800 3983.5385 20450.6535 14430.5337 244.5719 -203494.0123 2688.7052 0.0000 0.0000 52113.0313 -109582.9782 299.4943 -161696.0095 -109218.7153 298.8680 -15.4692 15.7436 760391.9037 0.0191 0.0587 PRESSURE: 871000 -67.4021 106.604 56.7482 106.604 -216.382 -154.611 56.7483 -154.612 390.585 GPRESSURE: 871000 -52.7571 110.251 45.545 121.07 -173.312 -87.0637 87.1493 -230.735 411.827 PRESSAVG: 871000 -23.292 1.02214 25.6351 1.02214 -25.1761 20.6151 25.6351 20.615 2.32993 GPRESSAVG: 871000 -22.7994 0.939203 23.5557 -0.583982 -25.3193 21.4807 27.2591 19.1673 2.48711 TIMING: 871000 CPU: 2752.1, 0.00316551/step Wall: 2752.1, 0.00316551/step, 3.63066 hours remaining, 237.433594 MB of memory in use. ENERGY: 871000 3911.4342 20506.4921 14517.1713 240.3038 -203326.3619 2537.8888 0.0000 0.0000 52215.2792 -109397.7925 300.0819 -161613.0716 -109026.6237 299.7074 35.6001 61.9193 760741.8798 -15.3794 -15.2105 PRESSURE: 871200 -183.273 -32.5394 119.663 -32.5387 -313.894 -54.2365 119.663 -54.2366 -21.6486 GPRESSURE: 871200 -143.691 -88.9477 63.6521 -36.5933 -277.943 12.6748 135.518 -66.7729 -28.4541 PRESSAVG: 871200 20.3345 23.289 25.2027 23.2889 -44.0803 53.7847 25.2027 53.7847 14.8157 GPRESSAVG: 871200 20.1852 23.7506 25.7736 24.6371 -43.6561 55.1287 25.5364 55.5 14.4335 TIMING: 871200 CPU: 2752.74, 0.0031942/step Wall: 2752.74, 0.0031942/step, 3.66339 hours remaining, 237.433594 MB of memory in use. ENERGY: 871200 4013.8801 20599.1682 14495.6246 261.0812 -202876.6961 2272.7208 0.0000 0.0000 51876.7732 -109357.4480 298.1365 -161234.2212 -109003.3337 299.4668 -172.9384 -150.0292 762174.5069 -2.9767 -3.0124 PRESSURE: 871400 -297.477 -202.777 -144.422 -202.775 -46.0981 263.377 -144.421 263.377 52.1776 GPRESSURE: 871400 -194.919 -183.706 -72.5358 -155.584 -113.485 255.391 -50.8485 140.119 103.523 PRESSAVG: 871400 30.7381 -46.8418 10.3495 -46.8417 -20.2909 31.099 10.3495 31.099 -8.31719 GPRESSAVG: 871400 30.526 -46.4887 11.7746 -48.8397 -21.05 28.5219 9.63606 30.577 -7.31856 TIMING: 871400 CPU: 2753.37, 0.00316402/step Wall: 2753.37, 0.00316402/step, 3.6286 hours remaining, 237.433594 MB of memory in use. ENERGY: 871400 3974.2055 20450.3140 14496.8244 243.4515 -203119.3976 2631.1716 0.0000 0.0000 52167.8018 -109155.6287 299.8091 -161323.4305 -108798.0508 299.3138 -97.1325 -68.2937 760308.3027 0.7100 0.7191 PRESSURE: 871600 -634.939 -10.4283 86.1422 -10.4289 -584.08 -126.951 86.1429 -126.952 -336.802 GPRESSURE: 871600 -552.694 70.2963 72.8908 -176.969 -573.999 -86.8333 6.45354 -103.669 -350.142 PRESSAVG: 871600 13.351 -8.80773 2.2638 -8.8078 -17.5222 -54.6628 2.26377 -54.6629 19.5213 GPRESSAVG: 871600 13.6693 -7.74948 1.32456 -7.11113 -16.797 -53.9133 2.02407 -56.3111 18.6535 TIMING: 871600 CPU: 2754, 0.00314601/step Wall: 2754, 0.00314601/step, 3.60778 hours remaining, 237.433594 MB of memory in use. ENERGY: 871600 4121.8487 20437.1690 14444.4914 242.7362 -202709.1854 1984.6873 0.0000 0.0000 52251.4904 -109226.7624 300.2900 -161478.2527 -108869.6921 299.7417 -518.6069 -492.2782 761953.8571 5.1167 5.1753 PRESSURE: 871800 248.804 23.6403 171.773 23.6411 278.732 52.6443 171.773 52.6443 -3.54098 GPRESSURE: 871800 234.95 57.9727 154.964 -95.1021 259.592 132.041 139.85 -67.5307 124.888 PRESSAVG: 871800 68.9943 -79.545 -4.897 -79.545 -57.3005 -34.2972 -4.89703 -34.2972 5.10052 GPRESSAVG: 871800 68.4851 -81.2905 -4.68804 -79.1778 -57.2872 -34.5395 -6.21923 -31.553 5.94563 TIMING: 871800 CPU: 2754.63, 0.00313219/step Wall: 2754.63, 0.00313219/step, 3.59175 hours remaining, 237.433594 MB of memory in use. ENERGY: 871800 3982.7551 20539.9084 14517.0695 265.0737 -203410.8449 2664.1463 0.0000 0.0000 52159.4060 -109282.4858 299.7608 -161441.8919 -108922.6954 299.8397 174.6649 206.4766 759922.9027 5.5981 5.7145 PRESSURE: 872000 -30.5179 5.31665 216.009 5.31727 142.482 -121.104 216.009 -121.105 352.505 GPRESSURE: 872000 58.9556 131.126 182.845 -8.61365 141.518 -134.594 66.3738 -73.4019 335.246 PRESSAVG: 872000 18.0412 -30.776 0.922551 -30.7759 -10.5305 29.0924 0.922594 29.0923 12.9467 GPRESSAVG: 872000 20.0469 -30.5261 0.624267 -32.5034 -12.4387 30.1563 1.38864 26.7044 12.7052 TIMING: 872000 CPU: 2755.26, 0.00313463/step Wall: 2755.26, 0.00313463/step, 3.59437 hours remaining, 237.433594 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: 872000 3979.2690 20596.1751 14458.7259 273.8439 -203054.3183 2473.1179 0.0000 0.0000 52170.2323 -109102.9543 299.8230 -161273.1865 -108743.1620 299.8393 154.8229 178.5735 760405.3715 6.8191 6.7711 PRESSURE: 872200 -68.4374 3.35945 -196.936 3.35899 -49.2111 -136.181 -196.936 -136.18 102.228 GPRESSURE: 872200 -86.4219 -29.411 -202.076 -28.3518 13.9264 -84.7328 -60.3381 -160.151 137.772 PRESSAVG: 872200 77.324 12.4068 5.29374 12.4068 -27.0173 -46.1929 5.29383 -46.1928 -10.3468 GPRESSAVG: 872200 76.6731 14.2963 6.2424 11.8423 -25.5614 -46.6723 6.39105 -44.4911 -10.5229 TIMING: 872200 CPU: 2755.88, 0.00314266/step Wall: 2755.88, 0.00314266/step, 3.60341 hours remaining, 237.433594 MB of memory in use. ENERGY: 872200 4022.8929 20449.4051 14457.2406 246.4213 -203101.4934 2644.1778 0.0000 0.0000 52160.2720 -109121.0836 299.7658 -161281.3556 -108759.8382 299.8642 -5.1401 21.7588 761074.4710 13.3200 13.5296 LDB: ============= START OF LOAD BALANCING ============== 2768.34 LDB: ============== END OF LOAD BALANCING =============== 2768.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.34 LDB: ============= START OF LOAD BALANCING ============== 2768.65 LDB: Largest compute 7065 load 0.036168 is 18.5% of average load 0.194988 LDB: Average compute 0.004407 is 2.3% of average load 0.194988 LDB: TIME 2768.66 LOAD: AVG 0.194988 MAX 0.214767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.871 MB LDB: TIME 2768.66 LOAD: AVG 0.194988 MAX 0.214767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.891 MB LDB: TIME 2768.66 LOAD: AVG 0.194988 MAX 0.214767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.891 MB LDB: ============== END OF LOAD BALANCING =============== 2768.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.67 PRESSURE: 872400 -43.7466 64.2917 -55.1779 64.2926 -218.4 358.77 -55.1785 358.771 313.25 GPRESSURE: 872400 -86.2392 -39.7955 -81.8174 103.406 -110.955 326.648 79.6876 303.342 330.353 PRESSAVG: 872400 48.7954 1.74424 48.0707 1.74423 -47.1587 0.565195 48.0707 0.565214 -9.10446 GPRESSAVG: 872400 48.5475 0.150563 47.2887 3.43524 -46.9413 -0.310933 48.4789 0.608912 -8.7271 TIMING: 872400 CPU: 2756.53, 0.00322761/step Wall: 2756.53, 0.00322761/step, 3.70063 hours remaining, 237.507812 MB of memory in use. ENERGY: 872400 4039.3624 20588.3167 14443.6572 244.5317 -203297.4237 2663.8789 0.0000 0.0000 52103.8925 -109213.7844 299.4418 -161317.6769 -108855.0879 299.8508 17.0344 44.3862 760882.1558 -2.4892 -2.3736 PRESSURE: 872600 -460.056 -28.1279 -29.2084 -28.1282 -272.123 -207.25 -29.2088 -207.249 66.7641 GPRESSURE: 872600 -259.976 125.99 -43.5856 -63.2584 -346.363 -202.566 -77.8635 -266.784 33.289 PRESSAVG: 872600 59.8439 -7.14209 -27.7696 -7.14209 -55.3408 36.4403 -27.7696 36.4403 0.988701 GPRESSAVG: 872600 60.3463 -5.13975 -28.0958 -7.88015 -56.0359 37.2654 -29.7121 35.9761 1.32597 TIMING: 872600 CPU: 2757.16, 0.00316205/step Wall: 2757.16, 0.00316205/step, 3.6253 hours remaining, 237.507812 MB of memory in use. ENERGY: 872600 3993.1950 20341.5267 14518.7127 248.9570 -202750.0891 2214.5799 0.0000 0.0000 51981.8315 -109451.2863 298.7403 -161433.1178 -109090.1367 299.3752 -221.8048 -191.0169 761265.6062 1.8306 1.8788 PRESSURE: 872800 359.811 128.537 158.313 128.537 -219.692 -33.6681 158.313 -33.6672 -269.055 GPRESSURE: 872800 299.905 147.468 87.0668 115.804 -106.465 14.718 96.308 -89.5642 -228.201 PRESSAVG: 872800 8.99793 52.3771 -35.4364 52.3771 -4.41939 25.6773 -35.4364 25.6773 6.64689 GPRESSAVG: 872800 8.22367 51.0398 -34.9723 52.6291 -4.36104 25.5354 -35.4683 25.0145 6.93712 TIMING: 872800 CPU: 2757.79, 0.00315262/step Wall: 2757.79, 0.00315262/step, 3.61431 hours remaining, 237.574219 MB of memory in use. ENERGY: 872800 3973.0789 20407.2439 14451.5031 249.9258 -203172.3887 2691.5362 0.0000 0.0000 52008.9215 -109390.1793 298.8960 -161399.1008 -109024.4797 299.4709 -42.9787 -11.5868 761918.4601 3.7418 3.5999 PRESSURE: 873000 -59.6041 -136.214 55.0533 -136.215 -43.9822 110.781 55.0528 110.782 231.671 GPRESSURE: 873000 -43.317 -95.7025 -73.0414 -109.953 14.2203 51.2185 230.595 93.1742 239.216 PRESSAVG: 873000 0.959986 2.03863 -48.5088 2.03859 -18.5035 9.62542 -48.5088 9.62549 5.43646 GPRESSAVG: 873000 1.50351 3.20267 -48.0147 1.61595 -18.9431 8.1078 -49.4115 9.31434 4.90887 TIMING: 873000 CPU: 2758.42, 0.00315905/step Wall: 2758.42, 0.00315905/step, 3.6215 hours remaining, 237.574219 MB of memory in use. ENERGY: 873000 3951.4758 20439.1140 14530.0399 252.7705 -203239.7105 2537.2982 0.0000 0.0000 52292.2528 -109236.7593 300.5243 -161529.0121 -108872.9614 299.1741 42.6950 70.0396 758969.2018 -4.0357 -4.1769 PRESSURE: 873200 124.05 -170.86 141.057 -170.861 -87.1346 271.926 141.057 271.926 36.3694 GPRESSURE: 873200 166.644 -113.82 235.927 1.149 -95.2364 264.138 60.7828 272.434 75.8973 PRESSAVG: 873200 36.0082 8.42298 22.7413 8.423 -36.7526 38.2777 22.7413 38.2776 -13.7687 GPRESSAVG: 873200 36.6743 8.82862 23.0228 9.76345 -37.0119 40.175 23.6612 37.5865 -14.3314 TIMING: 873200 CPU: 2759.06, 0.00315938/step Wall: 2759.06, 0.00315938/step, 3.6217 hours remaining, 237.574219 MB of memory in use. ENERGY: 873200 3921.9777 20571.4752 14416.2694 252.9711 -203040.2795 2687.8709 0.0000 0.0000 52033.7872 -109155.9281 299.0389 -161189.7154 -108801.8259 299.2119 24.4282 49.1015 760632.9973 -4.8377 -4.8897 PRESSURE: 873400 39.0067 60.2161 163.266 60.2156 -590.217 286.626 163.266 286.627 329.31 GPRESSURE: 873400 57.6876 35.8016 163.241 33.5295 -509.751 335.273 144.272 354.739 285.428 PRESSAVG: 873400 48.1952 -19.8635 6.31425 -19.8636 -19.441 52.5813 6.31426 52.5813 4.11399 GPRESSAVG: 873400 46.9008 -20.6434 6.19769 -21.8146 -18.0816 53.004 8.65653 52.2278 3.61706 TIMING: 873400 CPU: 2759.69, 0.00315669/step Wall: 2759.69, 0.00315669/step, 3.61845 hours remaining, 237.574219 MB of memory in use. ENERGY: 873400 4037.2466 20525.9038 14515.9472 240.4868 -202778.1217 2318.7872 0.0000 0.0000 52141.4675 -108998.2825 299.6577 -161139.7500 -108636.0920 299.8311 -73.9668 -55.5453 761049.3105 10.9560 10.8121 PRESSURE: 873600 3.97188 -44.1409 -151.931 -44.1399 -125.438 -217.492 -151.931 -217.492 -38.1183 GPRESSURE: 873600 52.272 -74.0819 -176.597 47.2455 -20.1499 -227.649 -48.8567 -229.778 -118.309 PRESSAVG: 873600 26.5755 46.8834 0.845043 46.8834 -35.0306 32.7226 0.845025 32.7226 -13.9641 GPRESSAVG: 873600 27.0611 46.5668 2.04418 47.1307 -36.7622 34.0059 -2.12541 34.6757 -13.1776 TIMING: 873600 CPU: 2760.32, 0.00315413/step Wall: 2760.32, 0.00315413/step, 3.61533 hours remaining, 237.574219 MB of memory in use. ENERGY: 873600 4006.6812 20341.4655 14553.4159 251.8481 -203059.6555 2600.9739 0.0000 0.0000 52294.9064 -109010.3645 300.5395 -161305.2709 -108644.3476 300.3091 -53.1947 -28.7289 762155.3532 -7.4731 -7.6262 PRESSURE: 873800 -45.942 -60.9045 217.151 -60.905 28.5641 48.3367 217.152 48.3367 -41.4376 GPRESSURE: 873800 41.7168 -43.8955 182.396 -126.517 49.3422 -4.71285 195.387 37.6335 -41.2722 PRESSAVG: 873800 12.734 20.3012 -46.5677 20.3012 -7.15925 -36.681 -46.5677 -36.6811 -5.65359 GPRESSAVG: 873800 12.2368 19.3375 -47.923 21.0688 -5.92646 -38.4014 -43.892 -38.6038 -5.98152 TIMING: 873800 CPU: 2760.95, 0.003168/step Wall: 2760.95, 0.003168/step, 3.63106 hours remaining, 237.574219 MB of memory in use. ENERGY: 873800 4000.8273 20596.5031 14383.5949 254.1507 -202998.9329 2417.2559 0.0000 0.0000 52190.1152 -109156.4856 299.9373 -161346.6009 -108800.9087 299.8803 -19.6052 16.5956 761449.1078 -0.0263 0.1096 PRESSURE: 874000 112.665 83.8332 121.763 83.8337 75.1628 -283.709 121.764 -283.708 59.1817 GPRESSURE: 874000 198.225 133.631 225.322 110.542 89.4016 -346.907 170.217 -311.408 60.6921 PRESSAVG: 874000 62.2288 17.3831 -35.2901 17.3831 -68.1941 -5.16572 -35.29 -5.16572 -4.1685 GPRESSAVG: 874000 63.2561 17.5687 -34.1609 17.7658 -69.689 -4.21838 -37.6522 -3.60375 -3.37358 TIMING: 874000 CPU: 2761.59, 0.00317882/step Wall: 2761.59, 0.00317882/step, 3.64328 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 874000 3946.8399 20706.3208 14463.8882 256.1940 -203155.1957 2686.9116 0.0000 0.0000 51983.9644 -109111.0767 298.7526 -161095.0411 -108757.9793 299.8042 82.3363 116.1062 761812.5800 -3.3779 -3.2688 PRESSURE: 874200 190.894 23.2705 169.933 23.2715 -120.546 192.426 169.933 192.425 -327.178 GPRESSURE: 874200 102.829 71.8449 153.393 -16.7667 -117.551 282.475 199.707 98.5127 -152.185 PRESSAVG: 874200 47.7919 2.96043 -3.03915 2.96043 -61.2417 7.35947 -3.03923 7.35942 -6.15728 GPRESSAVG: 874200 46.3493 1.55145 -3.29159 2.48332 -59.5418 8.50849 -1.04768 5.25281 -6.45753 TIMING: 874200 CPU: 2762.22, 0.00317316/step Wall: 2762.22, 0.00317316/step, 3.63662 hours remaining, 237.574219 MB of memory in use. ENERGY: 874200 3949.0721 20664.5526 14489.1681 254.8955 -203034.2742 2481.5598 0.0000 0.0000 51984.9292 -109210.0969 298.7581 -161195.0261 -108855.0191 299.7698 -85.6100 -55.6356 763114.3372 -6.5357 -6.5500 PRESSURE: 874400 109.116 -360.016 79.5209 -360.016 -320.225 46.741 79.5206 46.7407 -170.463 GPRESSURE: 874400 129.63 -277.032 52.8119 -229.39 -198.889 -4.08178 63.9281 -62.2007 -241.991 PRESSAVG: 874400 39.814 9.01872 -32.5539 9.01878 -72.9043 23.512 -32.5539 23.512 -3.43117 GPRESSAVG: 874400 39.8863 10.5075 -34.7559 9.85132 -72.5719 22.3935 -34.0052 23.831 -4.20495 TIMING: 874400 CPU: 2762.86, 0.00316704/step Wall: 2762.86, 0.00316704/step, 3.62943 hours remaining, 237.574219 MB of memory in use. ENERGY: 874400 3976.0605 20653.6352 14476.7838 275.1424 -203443.0594 2493.3811 0.0000 0.0000 51995.1000 -109572.9565 298.8166 -161568.0565 -109213.3608 299.3580 -127.1905 -103.7500 761769.9069 -12.1738 -12.2968 PRESSURE: 874600 -324.202 -19.334 -134.31 -19.3352 7.52527 113.713 -134.31 113.712 33.8621 GPRESSURE: 874600 -241.368 -94.65 -22.0938 124.373 -7.32601 204.712 -38.5498 57.7647 52.6088 PRESSAVG: 874600 67.4655 5.75071 -23.225 5.75068 -90.9302 -35.0748 -23.2249 -35.0748 9.95969 GPRESSAVG: 874600 68.0136 4.50285 -22.5997 6.78537 -90.8248 -34.9364 -23.8912 -34.3258 9.27139 TIMING: 874600 CPU: 2763.49, 0.00316478/step Wall: 2763.49, 0.00316478/step, 3.62666 hours remaining, 237.574219 MB of memory in use. ENERGY: 874600 4038.6585 20491.1400 14493.3571 238.4570 -203103.5017 2578.8140 0.0000 0.0000 51582.0168 -109681.0583 296.4426 -161263.0751 -109325.0459 298.6856 -94.2717 -65.3619 762514.4511 -4.5017 -4.5133 PRESSURE: 874800 -304.112 314.494 -33.2092 314.494 -47.4199 -146.565 -33.2086 -146.566 146.352 GPRESSURE: 874800 -239.736 178.104 58.6178 283.961 -57.0481 -161.079 -11.6045 20.2591 172.992 PRESSAVG: 874800 37.4952 5.6282 6.97128 5.62817 -57.4532 -47.3784 6.97123 -47.3784 -23.2475 GPRESSAVG: 874800 36.906 8.03197 7.91931 4.30514 -57.272 -46.6306 6.56029 -45.9269 -22.7175 TIMING: 874800 CPU: 2764.12, 0.00316526/step Wall: 2764.12, 0.00316526/step, 3.62704 hours remaining, 237.574219 MB of memory in use. ENERGY: 874800 4026.8506 20424.9459 14482.8771 239.6623 -203414.1520 2467.0255 0.0000 0.0000 52119.4063 -109653.3843 299.5309 -161772.7906 -109286.2272 298.3676 -68.3933 -41.2641 761797.9039 -14.4019 -14.3612 PRESSURE: 875000 -19.7482 -75.1038 29.4318 -75.1029 -202.475 -119.624 29.4319 -119.625 -89.7194 GPRESSURE: 875000 -152.625 39.4269 -42.6627 -85.7964 -91.2849 -123.842 -25.8188 -217.155 32.1134 PRESSAVG: 875000 21.4594 63.4976 -14.6671 63.4976 -6.54185 -3.34468 -14.6671 -3.34478 6.49169 GPRESSAVG: 875000 21.898 62.355 -13.8386 62.2582 -7.47262 -4.20259 -13.2119 -4.44159 6.98709 TIMING: 875000 CPU: 2764.75, 0.00315001/step Wall: 2764.75, 0.00315001/step, 3.60939 hours remaining, 237.574219 MB of memory in use. ENERGY: 875000 3946.1536 20535.0829 14446.3652 250.7339 -203450.7958 2434.5541 0.0000 0.0000 51893.6889 -109944.2171 298.2337 -161837.9060 -109567.6575 298.9761 -103.9810 -70.5988 761097.5384 7.1364 7.1375 PRESSURE: 875200 74.4538 18.455 110.73 18.4555 70.7101 -119.774 110.73 -119.774 -426.069 GPRESSURE: 875200 78.1199 60.5128 52.8425 74.7904 46.3475 -97.6725 33.1174 -152.952 -331.508 PRESSAVG: 875200 35.762 20.9924 -17.4216 20.9925 -79.6926 -8.80796 -17.4216 -8.80794 0.545172 GPRESSAVG: 875200 35.1563 22.2368 -19.3743 21.9615 -79.1778 -9.73906 -18.2417 -7.1081 0.152188 TIMING: 875200 CPU: 2765.38, 0.00315085/step Wall: 2765.38, 0.00315085/step, 3.61017 hours remaining, 237.574219 MB of memory in use. ENERGY: 875200 3949.6378 20512.7941 14534.6553 248.1171 -204031.2191 2828.5171 0.0000 0.0000 52141.9797 -109815.5180 299.6607 -161957.4976 -109455.2964 298.3144 -93.6350 -69.0134 760400.0607 -14.4618 -14.6231 PRESSURE: 875400 74.7694 -31.3735 -93.3671 -31.3737 69.8267 -159.352 -93.3668 -159.353 426.573 GPRESSURE: 875400 42.8091 -59.4167 -120.44 -0.64752 163.763 -210.902 -21.0317 -164.102 453.583 PRESSAVG: 875400 25.8178 -20.3483 -14.2081 -20.3484 -44.8849 -35.7203 -14.2081 -35.7202 8.45218 GPRESSAVG: 875400 26.049 -22.873 -14.6019 -20.1147 -45.5996 -35.5872 -12.7334 -35.7219 8.98898 TIMING: 875400 CPU: 2766.01, 0.00315634/step Wall: 2766.01, 0.00315634/step, 3.61629 hours remaining, 237.574219 MB of memory in use. ENERGY: 875400 3906.5485 20496.8147 14449.9703 243.1360 -203531.0815 2810.3670 0.0000 0.0000 51747.6636 -109876.5813 297.3945 -161624.2450 -109518.0576 298.2656 190.3898 220.0518 758584.6510 -3.5383 -3.5205 PRESSURE: 875600 -66.7159 -145.088 -38.073 -145.088 -101.103 14.6224 -38.0733 14.6217 260.861 GPRESSURE: 875600 -101.584 -189.318 -46.7545 -138.662 -24.981 -167.665 43.6168 256.227 304.587 PRESSAVG: 875600 -16.1287 -17.2012 13.8932 -17.2011 32.0507 -4.52376 13.8931 -4.52372 19.4062 GPRESSAVG: 875600 -17.8119 -18.3581 15.1231 -18.8903 33.896 -5.25375 13.4585 -5.04829 19.0567 TIMING: 875600 CPU: 2766.65, 0.00317933/step Wall: 2766.65, 0.00317933/step, 3.64246 hours remaining, 237.574219 MB of memory in use. ENERGY: 875600 3918.5905 20437.6223 14504.2231 253.6134 -203742.9777 2609.7969 0.0000 0.0000 51922.8258 -110096.3058 298.4012 -162019.1316 -109727.1878 298.4338 31.0141 59.3408 760769.9874 11.7761 11.7136 PRESSURE: 875800 -9.38786 -87.1455 -81.756 -87.146 -34.7711 174.192 -81.7563 174.192 -390.981 GPRESSURE: 875800 -29.7228 -85.456 -5.46113 -76.5592 -13.7397 188.798 -91.1229 162.732 -338.092 PRESSAVG: 875800 -50.6399 -10.8039 -31.7587 -10.804 3.4653 34.1545 -31.7587 34.1545 -9.48884 GPRESSAVG: 875800 -48.7009 -7.79334 -34.1331 -8.79046 1.81905 35.5833 -29.9955 35.732 -9.77048 TIMING: 875800 CPU: 2767.29, 0.00318142/step Wall: 2767.29, 0.00318142/step, 3.64467 hours remaining, 237.574219 MB of memory in use. ENERGY: 875800 3953.6002 20474.6217 14445.2399 244.6770 -203652.0480 2548.0638 0.0000 0.0000 52051.4113 -109934.4341 299.1402 -161985.8454 -109567.0463 297.8922 -145.0468 -127.1847 760739.4661 -18.8878 -18.8841 PRESSURE: 876000 -151.425 72.078 32.1204 72.0781 154.638 90.5594 32.121 90.5588 -70.9355 GPRESSURE: 876000 -167.084 120.824 74.9075 183.873 186.672 24.3935 -71.1729 78.9383 -4.55581 PRESSAVG: 876000 -12.0741 45.5507 -15.8568 45.5507 -5.82754 62.4609 -15.8567 62.4609 -18.4875 GPRESSAVG: 876000 -11.1225 44.5871 -14.8497 46.7936 -6.74639 61.3723 -19.1874 59.9487 -18.245 TIMING: 876000 CPU: 2767.92, 0.00317322/step Wall: 2767.92, 0.00317322/step, 3.63509 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 876000 3967.9230 20553.2446 14441.3194 231.7584 -203808.9118 2794.2157 0.0000 0.0000 52013.8125 -109806.6384 298.9241 -161820.4509 -109442.7281 298.4129 -22.5740 5.0107 760354.1746 -12.1297 -12.0380 PRESSURE: 876200 167.835 207.103 -110.68 207.102 -87.8471 -79.6843 -110.679 -79.6849 47.6303 GPRESSURE: 876200 158.229 41.4942 -118.489 154.279 -130.82 -111.229 -122.11 -71.1299 182.118 PRESSAVG: 876200 22.7654 -8.25296 -25.9077 -8.25296 -6.21419 -21.6058 -25.9077 -21.6059 14.3141 GPRESSAVG: 876200 22.8066 -8.56905 -24.0127 -10.0237 -6.46311 -19.7367 -27.2696 -18.9141 13.9231 TIMING: 876200 CPU: 2768.55, 0.00317262/step Wall: 2768.55, 0.00317262/step, 3.63424 hours remaining, 237.574219 MB of memory in use. ENERGY: 876200 3960.7602 20525.8024 14430.3998 246.4268 -203572.7894 2632.6282 0.0000 0.0000 52126.0328 -109650.7392 299.5690 -161776.7719 -109277.2872 298.9579 42.5393 69.8423 760041.5916 10.2885 10.0889 LDB: ============= START OF LOAD BALANCING ============== 2781.01 LDB: ============== END OF LOAD BALANCING =============== 2781.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.01 LDB: ============= START OF LOAD BALANCING ============== 2781.33 LDB: Largest compute 7034 load 0.037139 is 19.0% of average load 0.195099 LDB: Average compute 0.004418 is 2.3% of average load 0.195099 LDB: TIME 2781.33 LOAD: AVG 0.195099 MAX 0.214617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 2781.33 LOAD: AVG 0.195099 MAX 0.214617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: TIME 2781.33 LOAD: AVG 0.195099 MAX 0.214617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: ============== END OF LOAD BALANCING =============== 2781.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.34 PRESSURE: 876400 457.685 -203.532 -18.6315 -203.532 12.8642 82.3417 -18.6309 82.3409 -2.16914 GPRESSURE: 876400 448.768 -325.606 -39.8905 -217.452 74.6214 130.748 -16.8621 61.1111 15.9004 PRESSAVG: 876400 26.3933 -49.5142 -22.3287 -49.5142 -36.2531 14.7008 -22.3287 14.7007 3.87068 GPRESSAVG: 876400 26.491 -51.0352 -23.4572 -47.0557 -35.2604 13.2443 -20.7602 9.82424 2.9511 TIMING: 876400 CPU: 2769.21, 0.00325528/step Wall: 2769.21, 0.00325528/step, 3.72874 hours remaining, 237.757812 MB of memory in use. ENERGY: 876400 3924.2359 20685.4649 14455.3411 232.7077 -203638.3578 2634.8660 0.0000 0.0000 52287.6964 -109418.0458 300.4981 -161705.7422 -109054.4944 299.5772 156.1267 179.7634 761121.6931 -1.9964 -1.9394 PRESSURE: 876600 -389.222 22.8578 69.3934 22.858 -219.984 57.153 69.3935 57.1514 241.073 GPRESSURE: 876600 -204.783 98.8153 82.372 104.945 -261.74 3.16365 16.9883 107.075 184.214 PRESSAVG: 876600 33.4473 -12.3063 43.8539 -12.3063 -52.4255 27.6792 43.8539 27.6792 -1.95534 GPRESSAVG: 876600 31.4436 -8.2268 45.0678 -14.351 -51.4297 27.2068 44.0115 29.4439 -1.45785 TIMING: 876600 CPU: 2769.84, 0.00319618/step Wall: 2769.84, 0.00319618/step, 3.66087 hours remaining, 237.828125 MB of memory in use. ENERGY: 876600 4038.3789 20629.1392 14447.3383 253.7384 -203626.2414 2596.6772 0.0000 0.0000 52332.3796 -109328.5900 300.7549 -161660.9696 -108957.8831 300.1784 -122.7111 -94.1029 759836.1063 -6.9778 -7.1480 PRESSURE: 876800 -61.2539 62.5534 -6.69249 62.5533 -42.3337 138.45 -6.69161 138.45 119.177 GPRESSURE: 876800 -122.733 106.267 17.1911 100.884 22.0458 137.115 63.7314 100.993 201.492 PRESSAVG: 876800 21.4567 -16.4871 52.23 -16.4871 -8.50512 -34.9121 52.2301 -34.9121 4.69492 GPRESSAVG: 876800 22.5551 -17.8389 51.5966 -14.4403 -10.6471 -34.3613 51.3557 -33.6471 5.50983 TIMING: 876800 CPU: 2770.48, 0.00317187/step Wall: 2770.48, 0.00317187/step, 3.63284 hours remaining, 237.828125 MB of memory in use. ENERGY: 876800 3956.8109 20597.7248 14513.5733 251.3714 -203246.2292 2542.6846 0.0000 0.0000 52168.2950 -109215.7692 299.8119 -161384.0642 -108851.1926 300.3821 5.1965 33.6016 760646.0844 5.8822 5.8060 PRESSURE: 877000 214.7 266.158 202.107 266.158 -104.813 74.7769 202.106 74.7764 -153.962 GPRESSURE: 877000 245.76 145.273 271.944 169.315 -87.4556 42.6432 138.433 209.575 -109.899 PRESSAVG: 877000 8.12118 4.93437 -0.596174 4.9343 9.75006 26.4223 -0.596083 26.4223 4.26866 GPRESSAVG: 877000 8.16065 4.04483 1.01449 3.91413 9.84064 26.1257 -1.36157 24.8932 4.71638 TIMING: 877000 CPU: 2771.11, 0.00316572/step Wall: 2771.11, 0.00316572/step, 3.62563 hours remaining, 237.828125 MB of memory in use. ENERGY: 877000 4085.1523 20601.5316 14467.1496 247.8385 -203585.5947 2811.2451 0.0000 0.0000 52163.7451 -109208.9324 299.7858 -161372.6775 -108853.2274 300.0935 -14.6916 16.1353 760425.0220 7.3800 7.5726 PRESSURE: 877200 113.418 -44.1576 2.0102 -44.1584 -49.5397 -92.7067 2.00958 -92.708 114.025 GPRESSURE: 877200 211.896 62.1453 67.962 -36.4529 53.7633 -32.4031 -121.489 -31.4499 0.022317 PRESSAVG: 877200 31.6071 -6.9529 10.5795 -6.95287 -58.9906 54.4081 10.5795 54.4081 -5.71686 GPRESSAVG: 877200 31.6261 -6.87576 9.10618 -6.69594 -57.2907 53.2964 11.5396 56.4957 -7.23426 TIMING: 877200 CPU: 2771.75, 0.00317116/step Wall: 2771.75, 0.00317116/step, 3.63169 hours remaining, 237.828125 MB of memory in use. ENERGY: 877200 4074.2770 20503.1650 14449.9937 233.3057 -203668.6192 2647.0041 0.0000 0.0000 52204.2551 -109556.6186 300.0186 -161760.8737 -109184.9982 299.6439 59.3014 88.5607 759522.5097 -11.0335 -10.9663 PRESSURE: 877400 102.814 65.7321 8.83988 65.7319 -100.449 85.9491 8.83921 85.9494 -270.857 GPRESSURE: 877400 91.8675 145.033 10.0811 104.379 -63.634 65.9298 101.514 -19.0719 -227.227 PRESSAVG: 877400 69.6009 -44.4506 52.3177 -44.4506 -36.412 40.3674 52.3176 40.3674 27.9835 GPRESSAVG: 877400 69.0764 -44.6457 52.2195 -43.8312 -37.7292 42.1287 53.2903 40.9447 29.7999 TIMING: 877400 CPU: 2772.38, 0.00314651/step Wall: 2772.38, 0.00314651/step, 3.60328 hours remaining, 237.828125 MB of memory in use. ENERGY: 877400 4002.5222 20417.0020 14453.7771 243.5966 -203094.8203 2443.4240 0.0000 0.0000 51923.2691 -109611.2292 298.4037 -161534.4983 -109251.1932 299.1130 -89.4972 -66.3312 761732.1539 20.3908 20.3824 PRESSURE: 877600 -420.604 -113.085 136.129 -113.086 -155.961 -23.9545 136.13 -23.9549 87.8278 GPRESSURE: 877600 -341.354 -57.3549 179.331 -184.776 -29.1096 -37.101 87.6764 -24.9436 -25.7593 PRESSAVG: 877600 35.569 -22.438 10.1159 -22.438 -37.1454 -19.1849 10.1158 -19.1849 8.21829 GPRESSAVG: 877600 36.5533 -21.521 10.0568 -23.3064 -36.2781 -19.8665 8.72385 -18.9587 5.93971 TIMING: 877600 CPU: 2773.01, 0.00315876/step Wall: 2773.01, 0.00315875/step, 3.61712 hours remaining, 237.828125 MB of memory in use. ENERGY: 877600 3969.7815 20572.8753 14385.0796 257.7559 -203716.9746 2765.7692 0.0000 0.0000 52291.2029 -109474.5103 300.5183 -161765.7131 -109116.6546 299.1198 -162.9123 -132.0745 760701.3142 2.2140 2.0717 PRESSURE: 877800 -176.426 -93.3437 123.329 -93.3432 -303.86 141.521 123.329 141.522 -81.5842 GPRESSURE: 877800 -218.412 -121.86 92.9346 22.7026 -211.942 100.674 182.867 130.741 -45.2772 PRESSAVG: 877800 58.0568 -26.6973 13.8975 -26.6973 -63.8845 12.6988 13.8975 12.6988 -4.6388 GPRESSAVG: 877800 58.2139 -27.6315 14.6285 -26.8237 -64.0965 13.2826 15.4786 11.446 -4.67972 TIMING: 877800 CPU: 2773.65, 0.0031879/step Wall: 2773.65, 0.0031879/step, 3.65032 hours remaining, 237.828125 MB of memory in use. ENERGY: 877800 3989.6078 20666.4744 14441.9694 232.2306 -203127.8879 2613.4038 0.0000 0.0000 52097.8696 -109086.3322 299.4072 -161184.2018 -108728.9126 299.0576 -187.2902 -158.5438 761428.5027 -3.4888 -3.5208 PRESSURE: 878000 113.534 -136.009 151.836 -136.008 160.311 -141.027 151.836 -141.028 7.12322 GPRESSURE: 878000 116.37 -29.933 145.587 -75.3588 206.879 -120.571 75.4421 -135.414 46.0343 PRESSAVG: 878000 96.9998 -62.3365 -1.34784 -62.3365 -84.1134 3.47493 -1.3478 3.47492 13.316 GPRESSAVG: 878000 96.2194 -61.1131 -3.0736 -62.8252 -84.7101 3.46703 -1.13044 3.55669 14.3832 TIMING: 878000 CPU: 2774.28, 0.00316356/step Wall: 2774.28, 0.00316356/step, 3.62228 hours remaining, 237.828125 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: 878000 3957.8950 20636.0221 14492.5842 250.2520 -203390.8637 2799.2738 0.0000 0.0000 52195.5282 -109059.3085 299.9684 -161254.8366 -108706.4770 299.8975 93.6561 123.0947 761472.9400 8.7341 8.6308 PRESSURE: 878200 52.8291 -55.9095 -85.0224 -55.91 -104.568 222.124 -85.0229 222.124 63.7208 GPRESSURE: 878200 69.2929 -62.8803 -27.9398 -64.5306 4.63078 272.211 13.4584 214.714 26.1764 PRESSAVG: 878200 61.5991 -71.0713 33.8206 -71.0713 -78.5589 3.64916 33.8205 3.64912 18.3759 GPRESSAVG: 878200 62.7534 -71.2958 34.0409 -69.5681 -78.7841 2.15004 32.8652 3.1509 17.9179 TIMING: 878200 CPU: 2774.91, 0.00313818/step Wall: 2774.91, 0.00313818/step, 3.59304 hours remaining, 237.828125 MB of memory in use. ENERGY: 878200 4024.2872 20443.9825 14502.2087 243.0409 -202988.2006 2448.3387 0.0000 0.0000 52169.4855 -109156.8570 299.8188 -161326.3425 -108789.6509 299.9655 3.9941 33.3667 763175.6934 0.4720 0.6291 PRESSURE: 878400 45.5092 -56.7416 -131.123 -56.7418 87.5341 -77.4448 -131.123 -77.443 -38.0356 GPRESSURE: 878400 72.3201 -68.5661 -128.902 -77.2836 115.01 -192.481 -191.953 79.5784 7.46564 PRESSAVG: 878400 49.4199 -31.2365 -33.3931 -31.2365 -83.2702 21.3207 -33.393 21.3206 8.18694 GPRESSAVG: 878400 48.4868 -31.5487 -32.3864 -31.942 -84.4551 21.6338 -33.062 19.8076 10.414 TIMING: 878400 CPU: 2775.53, 0.0031457/step Wall: 2775.53, 0.0031457/step, 3.60147 hours remaining, 237.828125 MB of memory in use. ENERGY: 878400 4009.7001 20442.2862 14438.2860 242.4662 -203112.0357 2676.8877 0.0000 0.0000 52129.8392 -109172.5704 299.5909 -161302.4096 -108804.9783 299.4598 31.6692 64.9319 762632.4268 -8.5544 -8.5181 PRESSURE: 878600 297.334 -122.912 103.758 -122.912 29.9226 -190.464 103.759 -190.463 138.808 GPRESSURE: 878600 353.475 -120.804 122.372 -106.706 26.2117 -219.898 82.9999 -52.0895 180.591 PRESSAVG: 878600 67.247 -55.1128 -1.20541 -55.1127 -35.1993 32.016 -1.20543 32.016 6.00158 GPRESSAVG: 878600 66.9428 -56.5247 -1.43387 -53.6052 -33.8605 33.9792 -1.91463 34.2216 4.51811 TIMING: 878600 CPU: 2776.17, 0.00317013/step Wall: 2776.17, 0.00317013/step, 3.62928 hours remaining, 237.828125 MB of memory in use. ENERGY: 878600 4029.9206 20567.3127 14502.1102 271.1180 -203481.7047 2896.4051 0.0000 0.0000 51984.5650 -109230.2731 298.7560 -161214.8381 -108866.9070 299.4852 155.3550 186.7593 762406.1819 12.6831 12.5335 PRESSURE: 878800 -124.4 242.11 129.061 242.11 28.2142 -165.242 129.061 -165.243 -317.485 GPRESSURE: 878800 -69.812 185.701 71.4101 227.129 -28.1771 -46.5465 162.937 -196.297 -238.794 PRESSAVG: 878800 48.7062 -14.0717 -9.84277 -14.0717 -43.3224 32.506 -9.84279 32.506 6.30304 GPRESSAVG: 878800 49.6632 -13.4685 -8.4225 -15.4893 -43.7357 30.6895 -12.093 31.5882 6.0495 TIMING: 878800 CPU: 2776.8, 0.00317631/step Wall: 2776.8, 0.00317631/step, 3.63617 hours remaining, 237.828125 MB of memory in use. ENERGY: 878800 4084.4932 20612.2165 14482.4969 241.6890 -203254.8265 2477.1336 0.0000 0.0000 52177.2921 -109179.5052 299.8636 -161356.7973 -108816.7682 299.5979 -137.8902 -112.2611 763384.6527 3.8956 3.9923 PRESSURE: 879000 -0.288554 -51.5471 28.3778 -51.5471 98.3313 -129.189 28.3784 -129.188 85.6185 GPRESSURE: 879000 -19.3046 -94.6839 59.9814 -15.5035 117.973 -67.1003 37.2755 -16.9517 168.887 PRESSAVG: 879000 71.6087 0.499031 -31.9996 0.499035 -27.4991 4.99425 -31.9996 4.99427 -24.7051 GPRESSAVG: 879000 71.6952 -0.10041 -35.1009 2.02861 -27.6238 4.95886 -28.0825 4.89743 -24.4153 TIMING: 879000 CPU: 2777.44, 0.00318689/step Wall: 2777.44, 0.00318689/step, 3.6481 hours remaining, 237.828125 MB of memory in use. ENERGY: 879000 4046.6093 20611.2185 14519.3251 237.7607 -203507.5170 2621.7549 0.0000 0.0000 51994.3523 -109476.4963 298.8123 -161470.8486 -109106.2823 299.5107 61.2204 89.1852 761683.4909 6.4682 6.5520 PRESSURE: 879200 26.6282 -43.0083 37.8815 -43.0089 138.613 -21.0884 37.8813 -21.088 -292.256 GPRESSURE: 879200 73.4471 -35.4243 2.71068 -90.1523 188.124 84.9172 1.04802 -122.741 -289.581 PRESSAVG: 879200 57.6979 -23.5322 -28.6931 -23.5322 -33.9481 4.82429 -28.6931 4.82431 5.38352 GPRESSAVG: 879200 57.9677 -22.7495 -27.1092 -24.7283 -33.4383 7.20006 -30.5955 4.55929 4.5143 TIMING: 879200 CPU: 2778.08, 0.00317425/step Wall: 2778.08, 0.00317425/step, 3.63346 hours remaining, 237.828125 MB of memory in use. ENERGY: 879200 3918.2029 20527.4899 14467.4189 262.0901 -203079.7320 2375.7269 0.0000 0.0000 52149.3056 -109379.4977 299.7028 -161528.8032 -109001.7631 299.2574 -42.3385 -9.3365 763486.5273 9.7111 9.6813 PRESSURE: 879400 -223.51 -62.3927 65.2864 -62.393 110.62 -46.5592 65.2857 -46.5588 -117.351 GPRESSURE: 879400 -163.578 -132.281 81.3193 -66.3578 122.096 40.0184 39.7705 -30.1298 -107.491 PRESSAVG: 879400 -5.30454 -29.6869 27.3804 -29.6869 -21.4647 35.9691 27.3804 35.9691 18.9112 GPRESSAVG: 879400 -6.50987 -31.2818 28.3987 -30.4376 -21.2022 34.2475 28.5621 38.0795 19.5818 TIMING: 879400 CPU: 2778.71, 0.00319089/step Wall: 2778.71, 0.00319089/step, 3.65232 hours remaining, 237.828125 MB of memory in use. ENERGY: 879400 4066.1851 20490.2432 14500.2492 247.2591 -203465.4655 2817.2988 0.0000 0.0000 52012.0836 -109332.1463 298.9142 -161344.2300 -108963.2759 299.1598 -76.7469 -49.6579 763151.3444 -2.6194 -2.7101 PRESSURE: 879600 -80.7407 -59.9447 15.6289 -59.945 60.9274 -7.22873 15.6283 -7.22944 85.929 GPRESSURE: 879600 -7.58033 32.0922 -52.0509 64.4466 68.7933 -2.17826 81.2244 57.47 79.5087 PRESSAVG: 879600 2.91073 -0.193551 3.28037 -0.193578 10.4918 9.99198 3.28036 9.99196 15.1459 GPRESSAVG: 879600 4.73639 1.87231 2.15816 1.17838 8.90803 12.0321 3.84772 10.1055 14.9874 TIMING: 879600 CPU: 2779.35, 0.00318131/step Wall: 2779.35, 0.00318131/step, 3.64118 hours remaining, 237.828125 MB of memory in use. ENERGY: 879600 4014.5186 20598.2907 14521.7127 261.6311 -202978.9128 2258.3410 0.0000 0.0000 51879.6767 -109444.7420 298.1532 -161324.4187 -109072.5313 299.0794 22.0386 46.9072 762630.7536 9.5161 9.5439 PRESSURE: 879800 119.855 -237.996 50.8958 -237.996 327.655 -54.625 50.8951 -54.6249 3.80084 GPRESSURE: 879800 51.5581 -217.771 -39.7558 -232.987 359.088 -102.322 122.923 -66.6542 129.424 PRESSAVG: 879800 40.1783 -53.4009 -11.097 -53.4008 11.028 7.12937 -11.097 7.12933 -13.9133 GPRESSAVG: 879800 39.6231 -52.9534 -11.9489 -53.5054 11.6634 4.73675 -13.7109 5.62307 -13.9112 TIMING: 879800 CPU: 2779.99, 0.00318161/step Wall: 2779.99, 0.00318161/step, 3.64135 hours remaining, 237.828125 MB of memory in use. ENERGY: 879800 3946.6996 20663.2207 14430.8909 245.8951 -203240.4448 2573.7645 0.0000 0.0000 51786.5823 -109593.3917 297.6182 -161379.9740 -109231.8555 299.1828 150.4369 180.0234 760741.0114 12.4310 12.4584 PRESSURE: 880000 -169.275 76.0578 134.154 76.0579 217.071 52.8043 134.155 52.804 -90.4445 GPRESSURE: 880000 -85.2373 34.4392 70.8676 119.808 183.186 32.6588 215.366 21.0122 -60.882 PRESSAVG: 880000 6.57646 -19.5402 -10.7296 -19.5403 9.02774 11.3518 -10.7296 11.3519 -26.3445 GPRESSAVG: 880000 5.60204 -20.3889 -10.2377 -19.9721 9.65612 11.997 -7.14248 12.3369 -25.7581 TIMING: 880000 CPU: 2780.62, 0.00316068/step Wall: 2780.62, 0.00316068/step, 3.61723 hours remaining, 237.828125 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: 880000 4021.1144 20553.6710 14478.7727 230.9609 -203741.8255 2768.5239 0.0000 0.0000 52195.7486 -109493.0340 299.9697 -161688.7826 -109137.8947 299.4833 -14.2161 12.3554 761367.5876 -3.5801 -3.5000 PRESSURE: 880200 300.169 165.878 57.8488 165.878 -429.659 6.40527 57.849 6.40487 182.494 GPRESSURE: 880200 324.174 81.3796 43.1823 111.83 -349.811 -8.8336 34.9188 169.721 158.513 PRESSAVG: 880200 38.3493 -21.9358 19.6228 -21.9359 -21.1074 -30.4238 19.6228 -30.4238 -3.93745 GPRESSAVG: 880200 39.6707 -23.041 18.1056 -19.6388 -21.8664 -29.7692 20.3969 -30.6999 -4.11813 TIMING: 880200 CPU: 2781.25, 0.00315053/step Wall: 2781.25, 0.00315053/step, 3.60543 hours remaining, 237.828125 MB of memory in use. ENERGY: 880200 3971.8894 20527.5343 14449.7729 236.3663 -203661.0635 2640.5466 0.0000 0.0000 52244.3578 -109590.5962 300.2490 -161834.9540 -109235.1472 299.5353 17.6681 44.2918 760429.5358 4.4348 4.5620 LDB: ============= START OF LOAD BALANCING ============== 2793.7 LDB: ============== END OF LOAD BALANCING =============== 2793.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2793.7 LDB: ============= START OF LOAD BALANCING ============== 2794.02 LDB: Largest compute 7034 load 0.037888 is 19.4% of average load 0.195163 LDB: Average compute 0.004389 is 2.2% of average load 0.195163 LDB: TIME 2794.03 LOAD: AVG 0.195163 MAX 0.215852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.816 MB LDB: TIME 2794.03 LOAD: AVG 0.195163 MAX 0.215852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: TIME 2794.03 LOAD: AVG 0.195163 MAX 0.215852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: ============== END OF LOAD BALANCING =============== 2794.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2794.03 PRESSURE: 880400 -82.4748 217.703 -104.796 217.703 356.352 -202.417 -104.796 -202.417 -609.482 GPRESSURE: 880400 -5.29334 273.876 -31.2905 129.122 314.014 -249.43 -115.883 -106.449 -564.371 PRESSAVG: 880400 -15.5557 -29.8455 -46.1847 -29.8455 -9.27799 -72.6113 -46.1846 -72.6113 4.66906 GPRESSAVG: 880400 -16.0742 -26.7293 -43.7646 -31.8289 -8.40245 -72.2787 -46.4361 -73.9046 3.76071 TIMING: 880400 CPU: 2781.9, 0.00324868/step Wall: 2781.9, 0.00324868/step, 3.71757 hours remaining, 236.273438 MB of memory in use. ENERGY: 880400 4019.4033 20579.4952 14411.1279 243.4163 -203274.0467 2389.8349 0.0000 0.0000 51906.5969 -109724.1721 298.3079 -161630.7691 -109361.5590 298.9823 -111.8681 -85.2168 760745.8518 -6.7216 -6.9053 PRESSURE: 880600 -42.428 -29.0744 -328.887 -29.0738 -117.554 -163.41 -328.887 -163.41 -358.852 GPRESSURE: 880600 -107.28 -0.436713 -282.209 -0.179427 -3.37021 -169.442 -303.742 -36.3841 -332.231 PRESSAVG: 880600 7.22718 48.0856 -24.0236 48.0855 -32.1961 -16.9953 -24.0236 -16.9953 -4.26486 GPRESSAVG: 880600 6.55779 43.8552 -22.6388 50.3004 -33.4276 -17.6759 -25.7208 -14.9147 -2.73228 TIMING: 880600 CPU: 2782.54, 0.00318021/step Wall: 2782.54, 0.00318021/step, 3.63904 hours remaining, 236.273438 MB of memory in use. ENERGY: 880600 3930.5856 20447.5014 14496.9192 251.8775 -203728.5840 2550.7512 0.0000 0.0000 52114.5534 -109936.3957 299.5031 -162050.9490 -109551.3883 298.4986 -172.9446 -147.6271 759996.8174 -9.7446 -9.8674 PRESSURE: 880800 45.9699 -17.923 42.831 -17.9222 149.261 -122.077 42.831 -122.077 80.7261 GPRESSURE: 880800 152.135 23.0755 34.2742 -1.90735 141.806 -113.372 -3.02431 -22.2821 80.2299 PRESSAVG: 880800 10.035 11.6513 4.01139 11.6514 -23.551 7.36653 4.01135 7.36651 -2.17453 GPRESSAVG: 880800 10.9448 13.5597 2.83554 10.1518 -23.5449 7.96607 3.39799 4.89978 -2.61424 TIMING: 880800 CPU: 2783.17, 0.00315838/step Wall: 2783.17, 0.00315838/step, 3.61389 hours remaining, 236.566406 MB of memory in use. ENERGY: 880800 3949.1323 20372.0309 14516.6231 257.7013 -203379.1897 2563.6864 0.0000 0.0000 51938.0169 -109781.9988 298.4885 -161720.0157 -109414.9582 298.7096 91.9856 124.7238 759657.7429 -5.2302 -5.0714 PRESSURE: 881000 -251.295 166.539 81.9566 166.539 -169.744 -223.516 81.9564 -223.516 -262.603 GPRESSURE: 881000 -238.978 133.161 110.262 74.394 -129.404 -222.181 164.222 -132.434 -226.23 PRESSAVG: 881000 -23.1536 -17.018 -71.3264 -17.018 38.5202 -4.84994 -71.3264 -4.8499 7.86671 GPRESSAVG: 881000 -23.3676 -15.4203 -71.6518 -21.0261 39.8768 -6.04478 -68.9204 -3.85878 7.58131 TIMING: 881000 CPU: 2783.8, 0.0031767/step Wall: 2783.8, 0.0031767/step, 3.63468 hours remaining, 236.566406 MB of memory in use. ENERGY: 881000 4026.0380 20362.6128 14396.5067 250.8908 -203506.8675 2726.0086 0.0000 0.0000 51960.8756 -109783.9348 298.6199 -161744.8105 -109430.7028 298.1798 -227.8806 -198.2041 760583.4963 7.7444 8.0301 PRESSURE: 881200 -86.9465 97.0586 -6.002 97.0594 -77.4317 178.062 -6.00202 178.062 -497.103 GPRESSURE: 881200 -94.2915 26.6318 -97.4027 64.3039 63.5754 235.763 -46.7967 101.26 -538.792 PRESSAVG: 881200 -19.9661 28.4649 19.6466 28.4649 -19.9241 6.3132 19.6466 6.31322 35.8254 GPRESSAVG: 881200 -19.7141 25.377 19.3161 32.5266 -20.945 6.24569 20.6266 6.45203 36.5168 TIMING: 881200 CPU: 2784.43, 0.00315316/step Wall: 2784.43, 0.00315317/step, 3.60757 hours remaining, 236.566406 MB of memory in use. ENERGY: 881200 3997.6054 20527.7530 14432.1699 263.7830 -203176.4580 2207.1145 0.0000 0.0000 52109.2785 -109638.7538 299.4727 -161748.0322 -109282.5336 298.4502 -220.4937 -189.8361 761231.0839 -1.3549 -1.3808 PRESSURE: 881400 -434.744 163.547 -189.245 163.547 -430.549 -148.57 -189.245 -148.57 -423.667 GPRESSURE: 881400 -398.431 170.331 -172.787 129.635 -371.317 -134.141 -127.242 -132.469 -436.758 PRESSAVG: 881400 -9.07539 -9.42067 -28.3695 -9.42066 2.70718 -16.5613 -28.3696 -16.5613 -6.33243 GPRESSAVG: 881400 -9.27791 -8.9631 -27.744 -9.1307 2.70203 -15.3912 -30.849 -16.8468 -6.45662 TIMING: 881400 CPU: 2785.06, 0.00315872/step Wall: 2785.06, 0.00315872/step, 3.61375 hours remaining, 236.566406 MB of memory in use. ENERGY: 881400 3998.1686 20487.5045 14388.6655 244.6702 -203292.0880 2326.4641 0.0000 0.0000 51906.9411 -109939.6740 298.3099 -161846.6150 -109581.9304 298.3468 -429.6535 -402.1686 762058.2230 -4.2335 -4.3442 PRESSURE: 881600 -73.4783 -282.919 144.25 -282.919 252.688 -54.9595 144.25 -54.9599 -464.857 GPRESSURE: 881600 -1.28314 -100.042 148.033 -242.248 225.35 -42.3602 195.104 -63.2329 -443.228 PRESSAVG: 881600 5.08116 -66.752 22.0521 -66.752 -13.0972 9.97302 22.0521 9.97306 -17.9111 GPRESSAVG: 881600 5.0759 -64.5041 21.2834 -65.909 -12.8121 7.92774 23.4205 10.2839 -18.818 TIMING: 881600 CPU: 2785.69, 0.00313702/step Wall: 2785.69, 0.00313702/step, 3.58875 hours remaining, 236.566406 MB of memory in use. ENERGY: 881600 4024.8587 20393.7462 14517.3745 247.8276 -203349.5735 2628.0825 0.0000 0.0000 51517.2221 -110020.4619 296.0702 -161537.6840 -109657.1859 297.8835 -95.2158 -73.0536 762980.1749 -8.6424 -8.8514 PRESSURE: 881800 142.804 190.296 78.9761 190.297 189.491 88.5647 78.9761 88.565 -222.75 GPRESSURE: 881800 134.776 162.633 123.607 136.407 156.597 16.3867 40.8827 226.173 -97.827 PRESSAVG: 881800 93.3478 37.5293 81.7598 37.5294 -78.2765 -38.9779 81.7598 -38.9779 -0.328252 GPRESSAVG: 881800 93.36 36.218 81.2803 36.6374 -78.8147 -38.0289 80.2914 -38.6928 -0.206124 TIMING: 881800 CPU: 2786.32, 0.00313731/step Wall: 2786.32, 0.0031373/step, 3.5889 hours remaining, 236.566406 MB of memory in use. ENERGY: 881800 3976.2460 20531.5072 14417.9861 258.0546 -203896.7175 2771.4845 0.0000 0.0000 51787.6409 -110153.7982 297.6243 -161941.4391 -109798.1061 298.3079 36.5151 64.5152 761011.9666 4.9143 4.7797 PRESSURE: 882000 270.375 54.2648 -137.194 54.2647 190.077 50.2296 -137.194 50.2299 -179.669 GPRESSURE: 882000 360.119 -21.7593 -46.0122 23.8601 176.746 33.3056 -213.84 33.813 -170.504 PRESSAVG: 882000 49.1268 32.9352 1.94918 32.9353 -24.1709 17.5258 1.94912 17.5258 -9.01536 GPRESSAVG: 882000 49.5491 33.0509 3.39947 31.5518 -24.3413 17.5621 2.13136 16.7156 -9.44432 TIMING: 882000 CPU: 2786.95, 0.00314772/step Wall: 2786.95, 0.00314772/step, 3.60064 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: 882000 3958.0902 20511.8576 14409.7400 245.5955 -203609.5470 2491.3979 0.0000 0.0000 52093.8757 -109898.9901 299.3842 -161992.8657 -109534.3444 297.7211 93.5943 122.1201 760079.3416 5.3135 5.2545 PRESSURE: 882200 312.194 -50.8974 141.2 -50.8967 282.068 -115.715 141.2 -115.715 171.997 GPRESSURE: 882200 346.893 73.9441 142.34 31.0732 364.536 -98.8764 247.32 -63.7924 130.071 PRESSAVG: 882200 4.56214 24.9942 -15.8511 24.9942 -44.517 -8.68366 -15.8511 -8.6837 -2.99569 GPRESSAVG: 882200 3.01104 24.2049 -14.2277 26.3276 -44.2567 -8.8523 -17.1125 -7.83391 -1.63276 TIMING: 882200 CPU: 2787.58, 0.00315577/step Wall: 2787.58, 0.00315577/step, 3.60968 hours remaining, 236.566406 MB of memory in use. ENERGY: 882200 3915.8765 20400.7997 14420.5305 255.2458 -203865.9954 2806.3921 0.0000 0.0000 52031.9723 -110035.1787 299.0285 -162067.1510 -109674.4823 298.0362 255.4197 280.4997 760239.1084 -14.3168 -14.2928 PRESSURE: 882400 -63.7422 194.457 -342.501 194.457 -195.173 93.2219 -342.501 93.2214 196.243 GPRESSURE: 882400 18.185 27.1753 -350.71 301.606 -175.261 126.41 -263.014 105.918 195.711 PRESSAVG: 882400 12.1904 -33.7348 -49.6478 -33.7347 -14.5745 -38.3938 -49.6479 -38.3937 -4.93898 GPRESSAVG: 882400 14.4457 -33.3025 -52.3632 -34.0327 -15.3392 -36.9503 -47.5621 -41.363 -6.51041 TIMING: 882400 CPU: 2788.21, 0.00317443/step Wall: 2788.21, 0.00317443/step, 3.63084 hours remaining, 236.566406 MB of memory in use. ENERGY: 882400 3991.8474 20706.6638 14359.4098 233.7954 -203953.7288 2812.8963 0.0000 0.0000 51801.8660 -110047.2502 297.7060 -161849.1162 -109681.5433 298.1550 -20.8908 12.8785 761185.9773 -2.4410 -2.4680 PRESSURE: 882600 -369.845 -148.289 -221.761 -148.289 -235.453 37.693 -221.761 37.6939 -87.4931 GPRESSURE: 882600 -280.098 -59.4787 -235.193 -136.938 -197.848 -56.6179 -219.11 -24.3216 -132.285 PRESSAVG: 882600 33.9827 -67.5141 10.9757 -67.5141 -75.8752 3.71609 10.9757 3.71613 -9.60642 GPRESSAVG: 882600 31.9848 -67.1354 12.666 -67.1087 -74.1791 3.07538 8.44835 5.23676 -8.99946 TIMING: 882600 CPU: 2788.85, 0.00318451/step Wall: 2788.85, 0.00318451/step, 3.6422 hours remaining, 236.566406 MB of memory in use. ENERGY: 882600 4047.0744 20437.8357 14365.1803 247.2111 -203693.1257 2597.3025 0.0000 0.0000 51982.9389 -110015.5830 298.7467 -161998.5218 -109642.6875 298.6014 -230.9306 -203.4105 761764.2422 -17.1663 -17.0646 PRESSURE: 882800 418.784 161.51 -172.088 161.51 95.6742 112.661 -172.087 112.66 -295.959 GPRESSURE: 882800 471.495 141.993 -144.877 183.421 84.0109 200.936 -96.2753 43.3239 -249.806 PRESSAVG: 882800 27.8213 -40.8515 11.7999 -40.8515 -34.7114 36.6672 11.7998 36.6672 4.73614 GPRESSAVG: 882800 28.4498 -40.3086 11.8255 -42.7664 -35.6924 36.5951 13.7596 36.4471 5.15475 TIMING: 882800 CPU: 2789.49, 0.00317514/step Wall: 2789.49, 0.00317514/step, 3.6313 hours remaining, 236.566406 MB of memory in use. ENERGY: 882800 3957.2500 20674.3460 14461.9828 271.5095 -203799.4568 2776.3193 0.0000 0.0000 51995.3597 -109662.6894 298.8180 -161658.0491 -109309.7556 298.5002 72.8332 101.9001 760868.5972 -0.7180 -0.6960 PRESSURE: 883000 16.9998 124.51 -85.0782 124.51 -166.168 181.892 -85.0775 181.892 -67.629 GPRESSURE: 883000 -20.2658 44.5005 -51.5786 160.729 -29.274 165.447 -120.328 166.503 -66.3702 PRESSAVG: 883000 37.9681 12.4579 34.7405 12.4578 -13.5327 37.0903 34.7404 37.0902 -10.1814 GPRESSAVG: 883000 37.1646 12.4184 35.4259 12.0373 -12.2632 35.9072 34.4961 38.5945 -10.9956 TIMING: 883000 CPU: 2790.12, 0.0031778/step Wall: 2790.12, 0.0031778/step, 3.63417 hours remaining, 236.566406 MB of memory in use. ENERGY: 883000 3979.8830 20458.8762 14517.1501 234.2567 -203629.2063 2657.1805 0.0000 0.0000 52096.2279 -109685.6318 299.3977 -161781.8597 -109318.7972 299.4455 -72.2657 -38.6367 761480.0301 4.7513 4.6353 PRESSURE: 883200 -137.913 -132.327 32.4089 -132.329 -113.796 -40.5234 32.409 -40.5236 -448.464 GPRESSURE: 883200 -30.2294 -81.4602 42.4929 -140.243 -126.967 -42.5891 109.32 -116.874 -464.772 PRESSAVG: 883200 45.4426 21.4923 42.6614 21.4922 -56.1409 49.1278 42.6614 49.1277 6.71648 GPRESSAVG: 883200 46.6363 20.9513 41.7857 21.7916 -57.7064 49.4434 43.9001 46.9696 6.80412 TIMING: 883200 CPU: 2790.75, 0.0031612/step Wall: 2790.75, 0.0031612/step, 3.61501 hours remaining, 236.566406 MB of memory in use. ENERGY: 883200 3992.0028 20726.0787 14451.0966 237.0013 -203820.9721 2741.4817 0.0000 0.0000 51984.0987 -109689.2122 298.7533 -161673.3110 -109329.8615 298.7284 -233.3908 -207.3231 759715.3804 -1.3273 -1.4220 PRESSURE: 883400 177.674 -106.787 20.633 -106.787 241.599 -314.966 20.632 -314.966 183.981 GPRESSURE: 883400 242.995 -24.7294 86.0719 -12.1674 272.644 -238.007 12.1071 -337.058 188.84 PRESSAVG: 883400 25.7955 -20.2567 21.0872 -20.2567 -32.1717 -49.6006 21.0872 -49.6006 -24.8952 GPRESSAVG: 883400 25.1529 -20.8818 20.9842 -19.5321 -31.0727 -48.3477 19.0293 -46.8589 -25.4842 TIMING: 883400 CPU: 2791.39, 0.00317838/step Wall: 2791.39, 0.00317838/step, 3.63448 hours remaining, 236.566406 MB of memory in use. ENERGY: 883400 3969.9100 20627.4473 14460.9209 251.8010 -203505.1457 2648.5936 0.0000 0.0000 51770.7222 -109775.7506 297.5271 -161546.4728 -109423.8795 298.8159 201.0846 234.8263 759067.7378 -10.4238 -10.4680 PRESSURE: 883600 49.7094 -213.097 -11.5598 -213.097 -55.2182 139.312 -11.5601 139.311 12.3106 GPRESSURE: 883600 83.1947 -391.949 -53.7594 -133.686 54.4489 144.121 -81.2572 137.317 -50.6802 PRESSAVG: 883600 -6.23259 -56.9095 -34.1606 -56.9096 -1.83927 -29.9116 -34.1606 -29.9117 -9.97957 GPRESSAVG: 883600 -6.59007 -56.78 -35.5301 -58.331 -2.06577 -30.0407 -32.6018 -31.4445 -9.96231 TIMING: 883600 CPU: 2792.03, 0.00318859/step Wall: 2792.03, 0.00318859/step, 3.64597 hours remaining, 236.769531 MB of memory in use. ENERGY: 883600 3943.4727 20455.7129 14417.2376 218.4226 -203590.2325 2542.1160 0.0000 0.0000 52070.0190 -109943.2517 299.2471 -162013.2706 -109584.3105 298.6263 2.2673 28.9878 761842.9666 -6.0171 -6.2061 PRESSURE: 883800 161.151 -142.731 -130.067 -142.731 44.3139 -7.64502 -130.067 -7.64607 -175.228 GPRESSURE: 883800 197.199 -95.7372 -81.0383 -173.333 43.8586 18.0798 -111.13 57.5132 -135.116 PRESSAVG: 883800 -1.59558 -44.9442 -23.7501 -44.9442 -16.2191 -30.8035 -23.7501 -30.8035 -33.8002 GPRESSAVG: 883800 -1.32504 -45.8607 -22.9427 -45.1161 -18.2813 -30.377 -24.3439 -29.2944 -32.3951 TIMING: 883800 CPU: 2792.67, 0.00319147/step Wall: 2792.67, 0.00319147/step, 3.64909 hours remaining, 236.769531 MB of memory in use. ENERGY: 883800 4013.5018 20560.7548 14446.9085 250.4344 -203679.3461 2530.4803 0.0000 0.0000 51680.8095 -110196.4567 297.0103 -161877.2662 -109845.7124 297.7897 10.0790 35.3137 760968.2755 -17.2050 -17.3338 PRESSURE: 884000 -95.5481 -15.4598 -30.7117 -15.46 -203.661 84.2272 -30.7113 84.2281 -138.133 GPRESSURE: 884000 -33.4362 165.294 22.2113 -26.9833 -278.476 200.371 -153.354 -9.25871 -57.5709 PRESSAVG: 884000 -7.80173 -59.5002 -82.0758 -59.5002 28.2902 -22.7483 -82.0758 -22.7483 -4.43625 GPRESSAVG: 884000 -7.28265 -58.2181 -81.9472 -60.2385 27.7728 -22.6398 -81.6729 -23.3712 -4.33669 TIMING: 884000 CPU: 2793.3, 0.00315285/step Wall: 2793.3, 0.00315285/step, 3.60476 hours remaining, 236.769531 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: 884000 3986.7527 20459.4173 14450.0573 253.4731 -203217.5897 2271.6469 0.0000 0.0000 51958.0265 -109838.2160 298.6035 -161796.2425 -109487.2307 298.0166 -145.7807 -123.1609 763172.0083 5.3507 5.3845 PRESSURE: 884200 123.528 135.153 -151.5 135.153 -239.995 142.258 -151.5 142.257 -103.362 GPRESSURE: 884200 174.617 222.11 -166.923 144.1 -183.5 97.314 -162.761 91.1139 -135.969 PRESSAVG: 884200 50.9488 12.3127 -24.8609 12.3127 -60.3555 55.9264 -24.861 55.9264 15.2183 GPRESSAVG: 884200 51.8063 15.5707 -24.0635 12.865 -60.7775 54.8802 -25.8613 56.4477 14.6266 TIMING: 884200 CPU: 2793.93, 0.00317319/step Wall: 2793.93, 0.00317319/step, 3.62784 hours remaining, 236.769531 MB of memory in use. ENERGY: 884200 3924.9026 20383.0164 14447.7693 255.0163 -203272.7763 2774.7346 0.0000 0.0000 51754.0541 -109733.2830 297.4313 -161487.3371 -109370.2546 298.4355 -73.2764 -48.2841 762168.9184 1.9372 1.8851 LDB: ============= START OF LOAD BALANCING ============== 2806.38 LDB: ============== END OF LOAD BALANCING =============== 2806.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2806.38 LDB: ============= START OF LOAD BALANCING ============== 2806.7 LDB: Largest compute 7034 load 0.036377 is 18.6% of average load 0.195125 LDB: Average compute 0.004380 is 2.2% of average load 0.195125 LDB: TIME 2806.7 LOAD: AVG 0.195125 MAX 0.214354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.414 MB LDB: TIME 2806.7 LOAD: AVG 0.195125 MAX 0.214354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.48 MB LDB: TIME 2806.7 LOAD: AVG 0.195125 MAX 0.214354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.48 MB LDB: ============== END OF LOAD BALANCING =============== 2806.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2806.71 PRESSURE: 884400 -156.601 -146.617 -197.581 -146.618 -188.775 -122.869 -197.581 -122.87 170.215 GPRESSURE: 884400 -219.339 -111.262 -214.161 -171.469 -22.881 -81.8844 -59.1042 -92.8367 159.548 PRESSAVG: 884400 41.1149 35.6628 -3.99456 35.6628 -28.1893 -43.6697 -3.99453 -43.6697 -7.29617 GPRESSAVG: 884400 39.1622 34.1806 -5.77408 35.4325 -26.2499 -42.3494 -3.61224 -44.6848 -7.19834 TIMING: 884400 CPU: 2794.57, 0.00320517/step Wall: 2794.57, 0.00320517/step, 3.66422 hours remaining, 237.589844 MB of memory in use. ENERGY: 884400 3989.3407 20406.8217 14515.1694 250.3228 -202780.5648 2322.6195 0.0000 0.0000 51859.8729 -109436.4178 298.0394 -161296.2907 -109083.3852 298.9178 -58.3869 -27.5574 760339.2572 1.8765 1.9047 PRESSURE: 884600 -45.4473 -124.71 -35.6479 -124.709 -420.989 23.3397 -35.6478 23.34 -14.8955 GPRESSURE: 884600 1.73955 -176.36 -55.8043 -108.262 -385.947 8.46923 -3.36169 -24.8525 3.84629 PRESSAVG: 884600 14.4073 -37.4159 -6.68252 -37.4159 -54.1329 -51.109 -6.68243 -51.1091 -9.07189 GPRESSAVG: 884600 14.0126 -38.5445 -5.8882 -37.1112 -54.2619 -51.7429 -4.83065 -52.7035 -8.51577 TIMING: 884600 CPU: 2795.21, 0.00319535/step Wall: 2795.21, 0.00319535/step, 3.65282 hours remaining, 237.792969 MB of memory in use. ENERGY: 884600 3984.6455 20300.5752 14466.9217 240.8560 -203206.2745 2398.7754 0.0000 0.0000 52175.3318 -109639.1690 299.8523 -161814.5008 -109275.8825 298.6113 -160.4440 -126.7870 759905.0907 -16.2658 -16.2550 PRESSURE: 884800 120.198 185.796 68.1256 185.795 -64.2906 -127.281 68.1259 -127.282 24.8748 GPRESSURE: 884800 128.846 302.539 22.4257 133.71 -21.1301 -122.07 70.1268 -82.0532 61.3192 PRESSAVG: 884800 43.451 19.7169 -9.21509 19.717 -77.8685 -96.1184 -9.21503 -96.1184 -25.7482 GPRESSAVG: 884800 44.9377 20.0378 -9.24396 18.8219 -79.1651 -94.6626 -11.0141 -95.4964 -26.0012 TIMING: 884800 CPU: 2795.84, 0.00316157/step Wall: 2795.84, 0.00316157/step, 3.61402 hours remaining, 237.792969 MB of memory in use. ENERGY: 884800 3976.3975 20441.2699 14493.7737 239.8098 -203178.3019 2717.6962 0.0000 0.0000 51979.0462 -109330.3086 298.7243 -161309.3548 -108971.6295 299.4259 26.9273 56.3450 762679.3362 -20.0552 -20.0762 PRESSURE: 885000 -286.377 -29.2132 201.628 -29.213 -171.363 -101.065 201.628 -101.065 -248.578 GPRESSURE: 885000 -264.091 -155.575 243.724 72.333 -86.2932 -15.4691 116.779 -24.6307 -260.702 PRESSAVG: 885000 49.0848 16.2743 1.1293 16.2743 -44.0879 -6.04516 1.12932 -6.04517 17.6666 GPRESSAVG: 885000 48.4983 14.3208 1.31692 18.8266 -43.2479 -5.40648 0.814288 -6.34509 17.7228 TIMING: 885000 CPU: 2796.48, 0.00315566/step Wall: 2796.48, 0.00315566/step, 3.6071 hours remaining, 237.792969 MB of memory in use. ENERGY: 885000 3964.8276 20549.8436 14525.1120 264.4581 -203268.3207 2567.0107 0.0000 0.0000 51964.9706 -109432.0981 298.6434 -161397.0687 -109070.7810 299.0527 -235.4394 -203.6955 760628.8167 7.5545 7.6577 PRESSURE: 885200 21.1407 -34.9766 57.9822 -34.9763 -256.673 -37.9416 57.9819 -37.9418 -406.12 GPRESSURE: 885200 68.2969 -4.10492 20.6779 49.7946 -215.284 -57.674 198.968 -272.842 -421.498 PRESSAVG: 885200 -3.69526 -26.0336 -3.03627 -26.0336 21.2625 24.0853 -3.03626 24.0853 -0.490718 GPRESSAVG: 885200 -3.73235 -26.3724 -3.01898 -26.1876 21.2456 21.0527 -1.44293 25.1659 -0.759266 TIMING: 885200 CPU: 2797.11, 0.00318646/step Wall: 2797.11, 0.00318646/step, 3.64213 hours remaining, 237.792969 MB of memory in use. ENERGY: 885200 3995.0682 20433.6938 14494.8956 251.5028 -202997.7693 2424.6766 0.0000 0.0000 51894.0686 -109503.8635 298.2359 -161397.9322 -109138.4209 299.1053 -213.8843 -189.4950 760620.4896 5.6922 5.5847 PRESSURE: 885400 36.291 -119.185 63.7901 -119.186 -25.9362 21.7173 63.7905 21.7174 141.331 GPRESSURE: 885400 79.3313 -19.8797 -38.7303 -114.103 27.3141 45.4925 56.7797 57.8658 139.345 PRESSAVG: 885400 37.7058 57.6216 9.36216 57.6216 -47.0426 -41.4447 9.36221 -41.4447 -7.70049 GPRESSAVG: 885400 38.0896 58.9267 9.48124 56.6424 -48.7079 -40.4133 8.61552 -41.5185 -6.30967 TIMING: 885400 CPU: 2797.75, 0.00317641/step Wall: 2797.75, 0.00317641/step, 3.63046 hours remaining, 237.792969 MB of memory in use. ENERGY: 885400 3927.4662 20317.9628 14488.1644 239.0996 -203294.5795 2621.2203 0.0000 0.0000 52068.9623 -109631.7040 299.2410 -161700.6663 -109271.3918 298.4551 50.5619 81.9969 760297.0631 -5.6791 -5.6426 PRESSURE: 885600 33.2005 16.3261 -17.8062 16.326 -455.218 258.985 -17.807 258.985 -385.704 GPRESSURE: 885600 45.2004 41.1218 -41.2798 71.8029 -379.523 238.47 53.3957 111.935 -394.771 PRESSAVG: 885600 133.572 43.0744 -46.6375 43.0743 -99.0808 -23.005 -46.6375 -23.005 9.65663 GPRESSAVG: 885600 133.951 43.9966 -46.9108 42.4644 -98.0554 -23.9245 -45.7818 -22.4217 7.87643 TIMING: 885600 CPU: 2798.38, 0.00317992/step Wall: 2798.38, 0.00317992/step, 3.6343 hours remaining, 237.792969 MB of memory in use. ENERGY: 885600 3874.4957 20392.4004 14507.8825 235.1356 -203337.5635 2609.9270 0.0000 0.0000 52168.2623 -109549.4600 299.8117 -161717.7223 -109178.3016 299.0681 -269.2403 -243.0310 760150.1654 14.7160 14.5908 PRESSURE: 885800 36.219 -139.624 -10.6607 -139.624 382.76 -47.6257 -10.6613 -47.6251 -11.3518 GPRESSURE: 885800 104.685 1.38873 -8.26226 -164.466 328.844 -37.339 137.45 12.6355 67.0977 PRESSAVG: 885800 129.715 17.1334 -18.0058 17.1334 -65.0635 -57.3321 -18.0058 -57.3321 -8.61415 GPRESSAVG: 885800 128.759 14.1391 -18.0456 18.162 -64.6826 -56.2057 -18.7803 -58.4443 -8.28316 TIMING: 885800 CPU: 2799.01, 0.00315429/step Wall: 2799.01, 0.00315429/step, 3.60483 hours remaining, 237.792969 MB of memory in use. ENERGY: 885800 3960.5378 20391.6038 14474.4113 265.5645 -203752.6878 2929.6885 0.0000 0.0000 52139.9891 -109590.8928 299.6492 -161730.8819 -109234.5343 299.5225 135.8758 166.8757 759916.1724 18.6791 18.5978 PRESSURE: 886000 -36.1926 -110.942 -85.1423 -110.943 -259.395 -303.522 -85.1427 -303.521 -259.782 GPRESSURE: 886000 -26.0558 7.44416 -55.297 -43.5998 -165.49 -228.959 -192.129 -311.658 -274.633 PRESSAVG: 886000 -7.42922 -6.63381 -31.7486 -6.63378 -21.5091 -60.9371 -31.7486 -60.937 7.79264 GPRESSAVG: 886000 -7.58 -4.04714 -32.2619 -6.40897 -22.2553 -61.3559 -30.5545 -60.4971 9.05776 TIMING: 886000 CPU: 2799.64, 0.00314917/step Wall: 2799.64, 0.00314917/step, 3.5988 hours remaining, 237.792969 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: 886000 3912.2059 20423.2065 14454.9077 235.0409 -203094.9153 2454.5273 0.0000 0.0000 52062.1967 -109552.8304 299.2022 -161615.0270 -109186.0654 299.3175 -185.1232 -155.3930 760097.1723 -7.0486 -6.9259 PRESSURE: 886200 -99.2003 -11.6331 -33.8176 -11.6327 -413.5 -72.854 -33.8177 -72.8546 -274.403 GPRESSURE: 886200 -108.309 88.0476 60.3901 -87.6571 -439.411 -72.4061 -60.8944 -42.5789 -137.131 PRESSAVG: 886200 64.8427 14.7435 58.7516 14.7436 -35.0405 -105.166 58.7515 -105.166 -13.0005 GPRESSAVG: 886200 64.5634 15.089 60.6637 14.3466 -34.4406 -104.271 56.1585 -106.264 -13.0064 TIMING: 886200 CPU: 2800.28, 0.00318148/step Wall: 2800.28, 0.00318148/step, 3.63555 hours remaining, 237.792969 MB of memory in use. ENERGY: 886200 3974.4144 20579.0842 14402.4580 239.3602 -202936.4055 2517.5432 0.0000 0.0000 51795.8801 -109427.6655 297.6716 -161223.5455 -109074.3091 299.3689 -262.3675 -228.2835 761562.0458 5.6006 5.7055 PRESSURE: 886400 -97.2934 45.7831 30.4592 45.7833 -202.45 -326.272 30.4589 -326.272 -90.5455 GPRESSURE: 886400 -144.199 57.5169 123.377 -100.117 -79.5767 -261.135 115.862 -182.159 -98.9264 PRESSAVG: 886400 52.7879 21.8093 2.16235 21.8093 -38.1766 -58.6776 2.16231 -58.6776 34.7908 GPRESSAVG: 886400 52.765 21.181 1.86747 20.2335 -37.3229 -57.6007 2.43809 -54.72 34.0189 TIMING: 886400 CPU: 2800.92, 0.00319951/step Wall: 2800.92, 0.00319951/step, 3.65597 hours remaining, 237.792969 MB of memory in use. ENERGY: 886400 3959.5683 20418.9352 14458.0588 234.3018 -202864.8540 2240.3552 0.0000 0.0000 52152.8043 -109400.8304 299.7229 -161553.6346 -109022.7508 299.4514 -130.0962 -107.5674 760044.1209 16.4674 16.4870 PRESSURE: 886600 -105.56 -28.4393 180.392 -28.4396 -251.287 281.217 180.392 281.218 -383.505 GPRESSURE: 886600 -96.2471 -45.3471 161.568 58.5891 -141.682 216.105 89.1838 132.341 -415.925 PRESSAVG: 886600 111.217 30.6385 -24.7694 30.6386 -117.709 12.4727 -24.7694 12.4726 6.80104 GPRESSAVG: 886600 110.847 30.3095 -26.1817 30.7191 -118.065 12.466 -22.9337 8.03472 7.09223 TIMING: 886600 CPU: 2801.56, 0.00317732/step Wall: 2801.56, 0.00317732/step, 3.63044 hours remaining, 237.792969 MB of memory in use. ENERGY: 886600 3964.8853 20275.6042 14427.4525 254.6964 -203332.4788 2714.2877 0.0000 0.0000 52088.2105 -109607.3423 299.3517 -161695.5527 -109233.0611 298.8549 -246.7840 -217.9514 762544.4901 0.1030 -0.0421 PRESSURE: 886800 119.541 91.0774 -194.862 91.0781 39.8328 -82.481 -194.862 -82.4813 93.8907 GPRESSURE: 886800 150.929 123.07 -320.093 -25.8854 6.16899 -158.376 -249.04 121.151 178.772 PRESSAVG: 886800 26.8582 30.2465 -22.8502 30.2465 -77.9707 -30.5793 -22.8503 -30.5792 -17.7993 GPRESSAVG: 886800 27.0317 30.5814 -22.9528 30.2183 -78.7179 -31.4799 -23.4252 -30.3166 -17.0891 TIMING: 886800 CPU: 2802.19, 0.0031855/step Wall: 2802.19, 0.0031855/step, 3.63961 hours remaining, 237.792969 MB of memory in use. ENERGY: 886800 3933.7561 20473.6013 14448.9306 244.3590 -203328.2008 2732.4483 0.0000 0.0000 52069.7128 -109425.3927 299.2454 -161495.1054 -109063.5201 298.8160 84.4215 111.9565 761453.1612 -22.9706 -22.9251 PRESSURE: 887000 -219.663 -50.9084 119.723 -50.9084 -25.2938 33.7587 119.722 33.7582 -400.011 GPRESSURE: 887000 -115.038 -54.3722 43.773 -15.1517 -51.8981 75.5964 117.703 9.60752 -391.74 PRESSAVG: 887000 60.5671 3.65284 -10.2362 3.65287 -60.8335 4.46409 -10.2362 4.46402 16.9912 GPRESSAVG: 887000 59.9756 3.50021 -10.665 3.63418 -61.1342 5.53608 -9.33091 4.11102 17.25 TIMING: 887000 CPU: 2802.83, 0.00319477/step Wall: 2802.83, 0.00319477/step, 3.65002 hours remaining, 237.792969 MB of memory in use. ENERGY: 887000 3936.6886 20333.5421 14540.3061 239.0918 -203195.2619 2476.2785 0.0000 0.0000 52038.0873 -109631.2674 299.0636 -161669.3547 -109267.3044 299.0244 -214.9894 -186.2254 760664.0842 5.5749 5.3638 PRESSURE: 887200 -261.864 -81.9196 -182.05 -81.9203 -494.864 -54.1888 -182.049 -54.1895 -252.279 GPRESSURE: 887200 -158.072 -21.0406 -77.2594 -29.5215 -529.451 -170.435 -124.909 -26.1824 -223.463 PRESSAVG: 887200 24.825 -3.19471 6.48186 -3.19465 -42.8459 -8.60899 6.4818 -8.60893 6.60477 GPRESSAVG: 887200 24.1023 -3.74017 7.46534 -1.23291 -40.3385 -11.6864 5.87521 -6.70888 5.15462 TIMING: 887200 CPU: 2803.47, 0.00320186/step Wall: 2803.47, 0.00320186/step, 3.65795 hours remaining, 237.792969 MB of memory in use. ENERGY: 887200 3996.8114 20476.5320 14437.9950 259.1936 -203026.8797 2431.6961 0.0000 0.0000 51793.7070 -109630.9445 297.6591 -161424.6515 -109272.3829 298.8507 -336.3355 -303.6618 761410.1944 -3.8054 -3.6939 PRESSURE: 887400 93.2636 31.0508 314.254 31.0501 -312.86 139.653 314.253 139.653 112.195 GPRESSURE: 887400 159.782 155.671 391.487 12.433 -208.896 205.37 292.1 147.093 45.0433 PRESSAVG: 887400 45.5171 47.0555 -8.52773 47.0556 -24.3653 19.4207 -8.52778 19.4207 10.9849 GPRESSAVG: 887400 47.8998 47.5826 -8.78026 45.9268 -27.0003 21.0289 -9.11463 19.2113 11.2661 TIMING: 887400 CPU: 2804.11, 0.00321217/step Wall: 2804.11, 0.00321217/step, 3.66955 hours remaining, 237.792969 MB of memory in use. ENERGY: 887400 3995.3700 20585.2464 14476.3635 238.6333 -203358.1651 2647.7395 0.0000 0.0000 51998.0924 -109416.7201 298.8338 -161414.8124 -109054.1580 299.7055 -35.8005 -1.3568 761288.2960 10.7122 10.7219 PRESSURE: 887600 -355.985 -13.7157 21.9281 -13.7157 -301.033 42.9386 21.9285 42.9377 -154.614 GPRESSURE: 887600 -346.276 -94.573 -7.7901 49.8708 -260.64 75.4618 -2.02212 -62.05 -102.845 PRESSAVG: 887600 55.6745 46.8189 -32.1693 46.8189 -83.2043 -45.6427 -32.1692 -45.6427 16.8811 GPRESSAVG: 887600 55.4561 46.6465 -31.7 47.4679 -82.8025 -44.2546 -31.5176 -46.937 16.4804 TIMING: 887600 CPU: 2804.76, 0.00320049/step Wall: 2804.76, 0.00320049/step, 3.65603 hours remaining, 237.792969 MB of memory in use. ENERGY: 887600 4074.4175 20426.9939 14430.2676 256.6856 -202947.2340 2167.1520 0.0000 0.0000 52113.5147 -109478.2028 299.4971 -161591.7175 -109122.2405 299.4185 -270.5437 -236.5870 759570.5419 -3.5496 -3.6220 PRESSURE: 887800 123.487 177.566 -411.056 177.566 17.6625 -18.43 -411.056 -18.4293 171.253 GPRESSURE: 887800 106.736 71.3713 -316.793 268.037 30.2136 -28.2566 -432.024 -5.50837 266.353 PRESSAVG: 887800 31.8056 9.57012 -61.6813 9.57019 -33.4018 -63.0872 -61.6813 -63.0872 -17.5797 GPRESSAVG: 887800 29.9444 6.87934 -61.4347 10.5312 -32.6769 -64.2292 -65.1294 -62.0924 -16.4698 TIMING: 887800 CPU: 2805.39, 0.0031835/step Wall: 2805.39, 0.0031835/step, 3.63644 hours remaining, 237.792969 MB of memory in use. ENERGY: 887800 3938.0475 20522.0335 14427.0792 250.7423 -203367.3734 2654.1873 0.0000 0.0000 51926.9388 -109648.3448 298.4248 -161575.2836 -109291.1114 299.2668 104.1344 134.4342 759598.4461 -6.3920 -6.4008 PRESSURE: 888000 168.434 43.4408 -8.63015 43.44 194.169 -247.957 -8.63032 -247.957 -90.4525 GPRESSURE: 888000 202.177 120.782 43.8696 69.8392 295.83 -183.217 63.9514 -274.639 -144.767 PRESSAVG: 888000 -12.81 21.105 -71.1861 21.105 34.8404 -35.7218 -71.186 -35.7218 16.3154 GPRESSAVG: 888000 -11.8515 22.986 -72.4094 19.8458 33.7822 -33.5787 -69.4993 -37.397 16.4704 TIMING: 888000 CPU: 2806.03, 0.00319272/step Wall: 2806.03, 0.00319272/step, 3.6468 hours remaining, 237.792969 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: 888000 3974.5018 20449.1411 14491.1698 257.5871 -203555.0463 2773.7666 0.0000 0.0000 51780.2824 -109828.5975 297.5820 -161608.8799 -109468.0005 298.6652 90.7170 117.7465 760858.6568 12.7820 12.8004 PRESSURE: 888200 -138.445 -129.347 -92.6295 -129.347 -233.797 -285.318 -92.6303 -285.318 87.2847 GPRESSURE: 888200 -93.194 -7.63132 -40.1564 -65.6422 -157.699 -243.683 6.20847 -232.289 52.8091 PRESSAVG: 888200 38.4436 38.1137 -56.2538 38.1138 -6.16718 -8.4407 -56.2539 -8.44074 -16.7081 GPRESSAVG: 888200 39.0983 38.9104 -56.0259 39.4328 -5.80468 -10.5558 -55.1536 -9.06954 -17.4871 TIMING: 888200 CPU: 2806.66, 0.00317067/step Wall: 2806.66, 0.00317067/step, 3.62143 hours remaining, 237.792969 MB of memory in use. ENERGY: 888200 3958.6335 20542.8659 14399.6609 250.0475 -203443.8555 2583.8911 0.0000 0.0000 52004.9561 -109703.8005 298.8732 -161708.7566 -109351.0051 298.6872 -94.9857 -66.0280 760254.4900 5.1894 5.2689 LDB: ============= START OF LOAD BALANCING ============== 2819.12 LDB: ============== END OF LOAD BALANCING =============== 2819.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2819.12 LDB: ============= START OF LOAD BALANCING ============== 2819.44 LDB: Largest compute 7064 load 0.035662 is 18.3% of average load 0.194992 LDB: Average compute 0.004401 is 2.3% of average load 0.194992 LDB: TIME 2819.44 LOAD: AVG 0.194992 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.727 MB LDB: TIME 2819.44 LOAD: AVG 0.194992 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 2819.44 LOAD: AVG 0.194992 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 2819.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2819.45 PRESSURE: 888400 209.872 185.679 -94.8737 185.678 268.169 116.673 -94.8741 116.672 187.286 GPRESSURE: 888400 179.87 309.706 -64.5115 7.46165 339.352 179.103 -64.0812 169.793 205.454 PRESSAVG: 888400 49.2627 4.3263 -4.59732 4.3262 -36.1825 18.6222 -4.59733 18.6222 7.54605 GPRESSAVG: 888400 47.9207 3.95693 -5.02483 3.71911 -35.5472 19.545 -2.93202 20.9173 7.3602 TIMING: 888400 CPU: 2807.31, 0.00324883/step Wall: 2807.31, 0.00324883/step, 3.71053 hours remaining, 237.011719 MB of memory in use. ENERGY: 888400 3946.3394 20484.9085 14509.8450 253.1739 -203490.5563 2817.0484 0.0000 0.0000 51907.3333 -109571.9079 298.3122 -161479.2411 -109216.9810 298.5939 221.7759 241.5588 760401.2432 6.8754 6.5779 PRESSURE: 888600 -34.755 176.132 110.125 176.133 -15.1771 91.9622 110.124 91.9627 241.326 GPRESSURE: 888600 42.8549 224.856 32.2079 164.232 52.679 119.122 95.4463 142.117 197.472 PRESSAVG: 888600 77.3743 -14.422 19.8657 -14.4219 -45.8866 -6.19853 19.8657 -6.19865 6.81879 GPRESSAVG: 888600 77.64 -12.1341 19.9593 -15.7479 -45.5836 -8.96079 18.4431 -5.61783 6.49886 TIMING: 888600 CPU: 2807.95, 0.00319575/step Wall: 2807.95, 0.00319575/step, 3.64972 hours remaining, 237.070312 MB of memory in use. ENERGY: 888600 3929.3188 20249.7985 14500.2327 267.9268 -203400.6190 2659.9856 0.0000 0.0000 52122.8812 -109670.4754 299.5509 -161793.3566 -109308.3708 299.1817 63.7979 97.6685 760751.7236 12.7688 12.8518 PRESSURE: 888800 -37.3212 180.904 -28.3082 180.904 -218.43 453.571 -28.3081 453.571 -17.888 GPRESSURE: 888800 -37.2785 119.72 -72.5665 166.564 -124.934 426.45 -83.1257 321.135 -30.1251 PRESSAVG: 888800 45.0595 1.55094 -38.1572 1.55095 -92.1411 -3.19704 -38.1572 -3.19702 12.5881 GPRESSAVG: 888800 44.4799 -1.60058 -38.5197 2.88898 -91.7183 -1.67146 -38.1922 -5.86293 13.1534 TIMING: 888800 CPU: 2808.59, 0.00316261/step Wall: 2808.59, 0.00316261/step, 3.61171 hours remaining, 237.070312 MB of memory in use. ENERGY: 888800 3943.0687 20342.4297 14532.4136 253.9372 -203225.1217 2567.4691 0.0000 0.0000 51852.3204 -109733.4830 297.9960 -161585.8034 -109374.3685 298.6115 -91.2132 -64.1127 763165.7611 -11.4978 -11.3617 PRESSURE: 889000 256.25 16.8653 -46.2972 16.8645 203.541 -182.144 -46.2979 -182.143 298.151 GPRESSURE: 889000 274.857 -30.1709 -79.0418 -71.5199 227.188 -204.322 16.7017 -122.409 330.03 PRESSAVG: 889000 67.0614 7.1329 11.0512 7.13291 -83.9358 -39.904 11.0511 -39.9039 3.948 GPRESSAVG: 889000 68.5853 10.4313 12.0358 6.16368 -85.0187 -38.5099 10.7023 -40.3309 3.88077 TIMING: 889000 CPU: 2809.22, 0.00316681/step Wall: 2809.22, 0.00316681/step, 3.61632 hours remaining, 237.273438 MB of memory in use. ENERGY: 889000 3961.8649 20465.3156 14535.0046 264.9660 -203945.0148 2986.5196 0.0000 0.0000 52166.1383 -109565.2058 299.7995 -161731.3441 -109202.1270 298.9430 252.6471 277.3584 760526.5033 -4.3088 -4.1842 PRESSURE: 889200 2.95719 161.426 -75.7892 161.427 324.447 114.261 -75.79 114.261 249.764 GPRESSURE: 889200 86.8639 163.716 -31.407 225.503 335.342 120.507 -56.8351 115.851 243.194 PRESSAVG: 889200 49.0093 27.3017 -7.22797 27.3017 -72.9633 -33.5282 -7.22789 -33.5282 -24.2074 GPRESSAVG: 889200 48.9719 25.8946 -8.43514 28.277 -72.3172 -34.3867 -7.0679 -32.579 -24.7206 TIMING: 889200 CPU: 2809.86, 0.00320685/step Wall: 2809.86, 0.00320685/step, 3.66186 hours remaining, 237.304688 MB of memory in use. ENERGY: 889200 3946.9711 20452.3269 14464.2476 242.2622 -203427.7972 2785.9493 0.0000 0.0000 51783.9042 -109752.1360 297.6028 -161536.0401 -109390.5629 298.6118 192.3893 221.7999 761401.2229 -16.0538 -16.0220 PRESSURE: 889400 -169.999 131.564 221.264 131.564 -29.9606 -122.45 221.264 -122.449 184.754 GPRESSURE: 889400 -123.313 166.971 187.268 95.9422 29.7334 -81.9722 116.329 -96.8692 170.985 PRESSAVG: 889400 27.2056 -0.374786 -30.7688 -0.374741 -9.64554 -6.29594 -30.7688 -6.296 -3.79574 GPRESSAVG: 889400 26.8933 -1.04394 -30.8477 0.249067 -10.0521 -7.03909 -30.4746 -5.3441 -3.67378 TIMING: 889400 CPU: 2810.5, 0.00317891/step Wall: 2810.5, 0.00317891/step, 3.62979 hours remaining, 237.304688 MB of memory in use. ENERGY: 889400 3906.1244 20673.9441 14431.4397 248.8321 -203679.4646 2826.0310 0.0000 0.0000 51837.5418 -109755.5515 297.9111 -161593.0932 -109396.6440 298.6578 -5.0685 25.8020 761896.0424 4.5881 4.3891 PRESSURE: 889600 251.644 -11.9892 28.4597 -11.9903 -15.1839 35.4455 28.459 35.4453 -35.0956 GPRESSURE: 889600 350.999 5.56477 4.02467 -127.389 -46.245 168.142 -25.116 93.6142 -1.13082 PRESSAVG: 889600 -2.05623 55.143 46.5279 55.143 -10.022 -47.703 46.5279 -47.703 -27.3937 GPRESSAVG: 889600 -2.64621 57.2491 44.7772 52.5933 -9.67143 -45.4546 48.5714 -48.712 -26.5234 TIMING: 889600 CPU: 2811.14, 0.00322036/step Wall: 2811.14, 0.00322036/step, 3.67694 hours remaining, 237.304688 MB of memory in use. ENERGY: 889600 3887.5468 20417.6986 14506.0681 243.9936 -203470.4997 2641.6394 0.0000 0.0000 51764.1587 -110009.3945 297.4893 -161773.5532 -109644.7194 298.3190 67.1214 101.2077 762183.4472 -13.1573 -12.9470 PRESSURE: 889800 -220.318 -2.62057 -186.051 -2.62038 -245.676 40.6805 -186.051 40.6791 -446.819 GPRESSURE: 889800 -146.875 48.6107 -54.3101 -46.9975 -250.672 143.308 -209.224 -40.9136 -456.608 PRESSAVG: 889800 28.621 22.4282 5.76408 22.4281 -61.2565 -8.18091 5.76406 -8.18092 10.6378 GPRESSAVG: 889800 28.8926 20.9487 8.44295 23.8654 -61.3208 -10.1187 1.90259 -7.26143 10.585 TIMING: 889800 CPU: 2811.77, 0.00316768/step Wall: 2811.77, 0.00316768/step, 3.61661 hours remaining, 237.304688 MB of memory in use. ENERGY: 889800 3975.3835 20373.5945 14470.9153 248.4291 -203968.0128 2804.9389 0.0000 0.0000 52012.2184 -110082.5333 298.9149 -162094.7516 -109728.7091 297.8048 -304.2712 -284.7186 761439.2235 -7.3326 -7.2811 PRESSURE: 890000 34.9874 -226.199 -104.703 -226.199 118.578 18.9626 -104.703 18.9629 -225.97 GPRESSURE: 890000 57.9511 -259.743 -113.346 -129.959 108.062 37.2586 18.7267 44.2133 -159.593 PRESSAVG: 890000 40.384 -16.7096 -33.8466 -16.7095 -29.6035 1.07112 -33.8466 1.07111 9.04246 GPRESSAVG: 890000 41.5012 -15.7324 -33.7505 -16.0419 -29.1208 1.20278 -31.8575 1.25731 7.80674 TIMING: 890000 CPU: 2812.41, 0.00319328/step Wall: 2812.41, 0.00319328/step, 3.64566 hours remaining, 237.304688 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: 890000 4022.1857 20369.0782 14431.0596 243.5465 -203926.1568 2682.0236 0.0000 0.0000 51904.3640 -110273.8992 298.2951 -162178.2632 -109925.7105 297.5667 -24.1347 2.1400 759840.3508 6.6076 6.7290 PRESSURE: 890200 -347.192 129.956 84.2637 129.955 -329.08 -9.83537 84.2634 -9.83532 -73.5569 GPRESSURE: 890200 -394.195 135.966 83.2231 135.593 -208.969 -51.0648 114.364 82.8154 -34.7047 PRESSAVG: 890200 29.7751 25.3938 37.0552 25.3939 -33.0009 -17.4923 37.0552 -17.4923 -17.6222 GPRESSAVG: 890200 29.3702 24.0857 35.5836 24.1357 -34.4476 -17.303 39.048 -17.9412 -16.0892 TIMING: 890200 CPU: 2813.05, 0.00319932/step Wall: 2813.05, 0.00319932/step, 3.65238 hours remaining, 237.304688 MB of memory in use. ENERGY: 890200 3989.7453 20271.6529 14455.2917 248.4990 -203804.4238 2739.7811 0.0000 0.0000 51771.9707 -110327.4831 297.5342 -162099.4538 -109966.6874 298.0876 -249.9428 -212.6231 762608.7314 -6.9494 -7.0555 PRESSURE: 890400 -391.469 2.09895 -223.169 2.09864 -205.516 -143.485 -223.169 -143.486 -276.355 GPRESSURE: 890400 -345.859 30.7752 -147.873 53.5833 -99.922 -72.2217 -249.948 -204.803 -350.038 PRESSAVG: 890400 1.14597 -23.8833 17.049 -23.8832 0.843287 -12.9964 17.049 -12.9964 9.62614 GPRESSAVG: 890400 2.33201 -25.14 17.474 -22.6892 2.03064 -12.2331 16.044 -12.9581 7.87637 TIMING: 890400 CPU: 2813.7, 0.00323509/step Wall: 2813.7, 0.00323509/step, 3.69303 hours remaining, 237.304688 MB of memory in use. ENERGY: 890400 3973.0072 20444.0532 14434.6742 253.5990 -203834.8576 2622.4186 0.0000 0.0000 51796.8486 -110310.2568 297.6772 -162107.1054 -109953.5338 298.1133 -291.1134 -265.2731 759812.2006 3.8718 4.0797 PRESSURE: 890600 15.8603 -29.9872 25.716 -29.9872 -321.918 236.011 25.7158 236.011 5.52319 GPRESSURE: 890600 13.9336 -41.9507 92.341 -139.506 -253.535 117.454 -4.68588 257.298 30.0166 PRESSAVG: 890600 29.4448 -45.3059 1.95818 -45.3059 -21.03 -22.9647 1.95824 -22.9647 41.5526 GPRESSAVG: 890600 28.4514 -44.6418 2.60031 -45.5443 -20.2165 -22.8008 1.37483 -24.1169 42.1185 TIMING: 890600 CPU: 2814.34, 0.00318925/step Wall: 2814.34, 0.00318925/step, 3.64053 hours remaining, 237.304688 MB of memory in use. ENERGY: 890600 4027.3775 20497.5270 14395.7407 260.4619 -203576.5408 2801.6001 0.0000 0.0000 51508.4510 -110085.3826 296.0198 -161593.8336 -109734.9802 298.0263 -100.1781 -69.8616 760928.8329 16.6558 16.7845 PRESSURE: 890800 -171.052 -260.756 255.69 -260.756 -363.259 -24.9711 255.69 -24.9706 -201.324 GPRESSURE: 890800 -141.925 -191.083 172.937 -167.14 -372.676 -25.8498 176.491 7.72528 -143.957 PRESSAVG: 890800 14.8416 -61.0105 30.4154 -61.0105 -32.1995 10.8364 30.4154 10.8364 -16.2741 GPRESSAVG: 890800 15.1462 -59.1847 30.1653 -62.2076 -32.8932 9.69936 29.5527 11.2969 -15.5314 TIMING: 890800 CPU: 2814.98, 0.00321212/step Wall: 2814.98, 0.00321212/step, 3.66645 hours remaining, 237.304688 MB of memory in use. ENERGY: 890800 4075.8764 20562.4343 14516.2213 250.2660 -203533.3219 2344.1441 0.0000 0.0000 51735.7123 -110048.6675 297.3258 -161784.3798 -109695.3324 298.3464 -245.2118 -219.5191 760969.4554 -11.2107 -11.0928 PRESSURE: 891000 313.522 109.496 -251.299 109.496 -98.6736 33.2543 -251.299 33.2545 20.4945 GPRESSURE: 891000 301.28 111.942 -275.938 44.8785 -2.49302 -21.0627 -180.811 -4.16215 31.5303 PRESSAVG: 891000 16.3708 -33.647 -0.829856 -33.647 -5.75247 -34.1358 -0.829891 -34.1359 -2.32246 GPRESSAVG: 891000 14.9653 -35.0137 -1.3242 -32.819 -3.31993 -32.8672 0.819755 -34.3829 -4.03456 TIMING: 891000 CPU: 2815.63, 0.00323962/step Wall: 2815.63, 0.00323962/step, 3.69766 hours remaining, 237.304688 MB of memory in use. ENERGY: 891000 4002.2442 20283.3786 14461.9849 239.5854 -203943.0113 2991.2020 0.0000 0.0000 52008.0456 -109956.5706 298.8910 -161964.6163 -109584.1816 298.1554 78.4475 110.1056 759944.0352 2.7653 2.5369 PRESSURE: 891200 82.6276 89.4695 -148.808 89.4689 3.06825 -100.302 -148.809 -100.302 -345.526 GPRESSURE: 891200 177.425 78.5392 -150.263 110.353 -55.4009 -71.2925 -41.8256 -9.16729 -304.371 PRESSAVG: 891200 40.1325 8.71926 -40.2111 8.71926 -12.6736 -4.70702 -40.2111 -4.70701 -7.07328 GPRESSAVG: 891200 40.1137 9.68209 -38.9889 10.2204 -14.6866 -6.82043 -41.5831 -4.56616 -5.1217 TIMING: 891200 CPU: 2816.27, 0.00320019/step Wall: 2816.27, 0.00320019/step, 3.65249 hours remaining, 237.304688 MB of memory in use. ENERGY: 891200 4003.6234 20504.0715 14570.6412 257.5539 -203340.2938 2425.9836 0.0000 0.0000 51724.5781 -109853.8423 297.2619 -161578.4203 -109494.6550 298.5516 -86.6102 -60.7823 760944.1989 6.7952 6.7685 PRESSURE: 891400 -175.48 -73.7637 -233.47 -73.764 10.7029 -8.44499 -233.47 -8.44539 -315.609 GPRESSURE: 891400 -116.282 -2.4506 -129.079 -89.7104 -24.7713 51.1548 -176.439 -29.2375 -258.013 PRESSAVG: 891400 54.4125 -45.9196 -38.5032 -45.9195 -29.5828 -45.5471 -38.5032 -45.5472 -9.10769 GPRESSAVG: 891400 55.6116 -47.9665 -39.4607 -44.452 -30.8363 -44.5849 -36.174 -44.4562 -9.60962 TIMING: 891400 CPU: 2816.91, 0.00323109/step Wall: 2816.91, 0.00323109/step, 3.68757 hours remaining, 237.304688 MB of memory in use. ENERGY: 891400 3941.5590 20371.2648 14410.3803 249.0129 -203184.2024 2438.6642 0.0000 0.0000 51802.4575 -109970.8637 297.7094 -161773.3211 -109614.5720 298.6337 -160.1287 -133.0221 761651.0044 5.2407 5.0552 PRESSURE: 891600 -63.9374 -177.897 -0.0721788 -177.897 -14.8465 -270.898 -0.0722032 -270.897 237.026 GPRESSURE: 891600 -74.1204 -231.265 6.44511 -81.4505 23.3473 -324.587 63.2108 -159.147 301.578 PRESSAVG: 891600 29.0775 -7.8547 -0.913531 -7.85474 -33.4837 -9.33103 -0.913475 -9.33102 7.16616 GPRESSAVG: 891600 27.345 -5.80351 -1.14593 -11.1539 -32.0119 -10.1375 -2.4223 -8.96907 6.69426 TIMING: 891600 CPU: 2817.55, 0.00317782/step Wall: 2817.55, 0.00317782/step, 3.6266 hours remaining, 237.304688 MB of memory in use. ENERGY: 891600 3977.4889 20352.6335 14580.4003 246.3635 -203709.1600 2684.1566 0.0000 0.0000 51818.4230 -110049.6942 297.8012 -161868.1172 -109701.7934 298.1417 52.7474 83.6015 760634.0219 0.9200 0.6758 PRESSURE: 891800 -60.8274 -4.94853 -80.8395 -4.94856 -8.79874 190.495 -80.8393 190.494 43.1859 GPRESSURE: 891800 -36.0116 -59.2806 -110.795 8.06062 88.3909 183.099 -53.8324 70.5166 25.4682 PRESSAVG: 891800 -5.67515 -10.4416 0.362038 -10.4416 39.8843 -9.17308 0.362039 -9.17313 -15.4273 GPRESSAVG: 891800 -5.47988 -11.3688 0.163521 -9.81836 38.4292 -8.27685 -0.623882 -11.3067 -14.2583 TIMING: 891800 CPU: 2818.19, 0.00318981/step Wall: 2818.19, 0.00318981/step, 3.64011 hours remaining, 237.304688 MB of memory in use. ENERGY: 891800 3905.3419 20562.8611 14401.5663 236.1968 -203105.2906 2522.4090 0.0000 0.0000 51770.5809 -109706.3347 297.5262 -161476.9156 -109351.2910 297.9109 -8.8134 25.9492 762608.4027 6.2606 6.2304 PRESSURE: 892000 -34.1893 -299.696 198.935 -299.695 207.529 97.9384 198.935 97.9377 -176.094 GPRESSURE: 892000 7.37671 -194.98 177.166 -192.528 244.656 52.1993 114.056 30.4928 -190.477 PRESSAVG: 892000 26.7566 20.4793 -22.6027 20.4793 12.6993 19.5068 -22.6026 19.5068 6.40433 GPRESSAVG: 892000 27.2776 21.9545 -21.4909 20.6578 14.0193 19.9526 -20.4155 18.9577 4.74948 TIMING: 892000 CPU: 2818.83, 0.0032244/step Wall: 2818.83, 0.0032244/step, 3.6794 hours remaining, 237.304688 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: 892000 3958.4223 20391.8436 14502.6233 248.3928 -203600.2638 2657.9544 0.0000 0.0000 52064.9279 -109776.0995 299.2179 -161841.0274 -109413.8314 298.4395 -0.9178 20.5185 761710.9349 15.2867 15.3488 PRESSURE: 892200 -110.401 27.1992 -337.665 27.2 -120.615 -151.199 -337.665 -151.201 34.6142 GPRESSURE: 892200 32.1113 16.0444 -291.63 55.6553 -168.29 -55.2583 -371.386 -218.565 29.0951 PRESSAVG: 892200 -0.65688 23.0514 -17.2909 23.0514 -12.4344 51.6285 -17.2909 51.6285 -21.5013 GPRESSAVG: 892200 -1.08623 20.7799 -16.104 23.8989 -13.0495 50.5225 -19.4639 53.4055 -20.5517 TIMING: 892200 CPU: 2819.47, 0.00319456/step Wall: 2819.47, 0.00319456/step, 3.64517 hours remaining, 237.304688 MB of memory in use. ENERGY: 892200 3877.6901 20295.8501 14545.5678 247.0534 -203212.6449 2564.8369 0.0000 0.0000 52123.4007 -109558.2458 299.5539 -161681.6465 -109193.7497 298.5713 -65.4672 -35.6947 762001.5822 -11.5309 -11.5625 LDB: ============= START OF LOAD BALANCING ============== 2831.93 LDB: ============== END OF LOAD BALANCING =============== 2831.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2831.93 LDB: ============= START OF LOAD BALANCING ============== 2832.25 LDB: Largest compute 7034 load 0.035908 is 18.4% of average load 0.194974 LDB: Average compute 0.004400 is 2.3% of average load 0.194974 LDB: TIME 2832.25 LOAD: AVG 0.194974 MAX 0.21566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.758 MB LDB: TIME 2832.25 LOAD: AVG 0.194974 MAX 0.21566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: TIME 2832.25 LOAD: AVG 0.194974 MAX 0.21566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: ============== END OF LOAD BALANCING =============== 2832.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2832.26 PRESSURE: 892400 -54.4145 -262.215 13.9444 -262.216 -214.367 306.927 13.9443 306.927 -42.1146 GPRESSURE: 892400 -37.4703 -255.802 25.9416 -358.128 -196.503 334.983 82.7926 189.52 21.9193 PRESSAVG: 892400 27.4301 -18.6084 -30.3954 -18.6084 24.0952 -26.2486 -30.3954 -26.2485 30.0896 GPRESSAVG: 892400 27.5385 -17.7302 -32.0307 -19.7644 24.3573 -25.1845 -29.6653 -27.6168 30.0282 TIMING: 892400 CPU: 2820.12, 0.00326034/step Wall: 2820.12, 0.00326034/step, 3.72005 hours remaining, 237.816406 MB of memory in use. ENERGY: 892400 3908.9792 20444.9024 14442.6065 251.4508 -203018.4681 2343.1484 0.0000 0.0000 51977.5535 -109649.8274 298.7157 -161627.3809 -109280.4091 298.9974 -103.6322 -70.6847 763292.0348 27.2050 27.3080 PRESSURE: 892600 -63.3965 113.915 196.288 113.915 194.875 26.3383 196.288 26.3388 -11.4552 GPRESSURE: 892600 2.05053 159.508 233.395 96.1709 272.542 13.3305 107.203 -15.6042 -46.773 PRESSAVG: 892600 -33.1237 -2.70073 5.18013 -2.70078 13.7741 -4.33801 5.18024 -4.33806 6.38005 GPRESSAVG: 892600 -31.8815 -3.48262 5.66895 -3.21725 14.0155 -5.33327 4.0983 -2.71684 5.06236 TIMING: 892600 CPU: 2820.76, 0.00319121/step Wall: 2820.76, 0.00319121/step, 3.641 hours remaining, 237.816406 MB of memory in use. ENERGY: 892600 3919.9809 20268.3850 14484.7142 249.5700 -203435.7390 2690.8556 0.0000 0.0000 52073.1151 -109749.1182 299.2649 -161822.2333 -109382.3932 298.4070 40.0079 75.9399 762378.2261 -4.3232 -4.2679 PRESSURE: 892800 324.468 57.4342 212.578 57.4346 169.853 -73.7536 212.578 -73.7552 113.097 GPRESSURE: 892800 389.457 131.511 108.86 23.9911 108.548 -23.3613 196.525 -170.138 201.838 PRESSAVG: 892800 5.02314 13.3827 -17.1632 13.3827 32.9054 -37.2598 -17.1631 -37.2598 -4.40391 GPRESSAVG: 892800 3.68909 14.5605 -16.9625 13.442 32.3065 -37.0716 -16.0043 -38.2762 -2.57766 TIMING: 892800 CPU: 2821.4, 0.00319691/step Wall: 2821.4, 0.00319691/step, 3.64732 hours remaining, 237.816406 MB of memory in use. ENERGY: 892800 3981.4277 20354.6706 14480.2297 238.8058 -203739.8310 3017.1216 0.0000 0.0000 52038.5971 -109628.9785 299.0665 -161667.5756 -109267.8386 298.1495 202.4728 233.2809 760906.3256 11.1749 11.1393 PRESSURE: 893000 -342.12 -5.18859 -28.5678 -5.18768 60.777 175.432 -28.5681 175.432 65.5469 GPRESSURE: 893000 -261.435 -59.1235 -61.8223 -26.017 21.8973 101.664 26.1072 176.325 108.867 PRESSAVG: 893000 -2.67643 13.6974 28.155 13.6974 -38.3878 12.2075 28.155 12.2075 -16.6756 GPRESSAVG: 893000 -1.95589 10.7636 25.955 14.8823 -39.992 10.0185 28.9176 13.2274 -16.0888 TIMING: 893000 CPU: 2822.04, 0.00317576/step Wall: 2822.04, 0.00317576/step, 3.62301 hours remaining, 237.816406 MB of memory in use. ENERGY: 893000 3971.6773 20460.8652 14377.9528 241.4396 -203259.0828 2405.4642 0.0000 0.0000 51996.8931 -109804.7905 298.8269 -161801.6837 -109442.4310 298.7736 -71.9320 -43.5569 762342.1211 -19.2466 -19.3456 PRESSURE: 893200 -264.905 -27.468 -38.2429 -27.4689 -224.782 -101.019 -38.2426 -101.019 15.7761 GPRESSURE: 893200 -276.672 38.4769 -143.993 13.1801 -221.19 -159.622 -84.6976 -229.871 118.599 PRESSAVG: 893200 51.0384 -30.0802 0.298904 -30.0802 -23.0458 79.9893 0.298871 79.9892 -1.59357 GPRESSAVG: 893200 50.9878 -28.9904 2.13956 -30.0958 -22.5072 82.8507 -0.556025 79.5334 -1.93527 TIMING: 893200 CPU: 2822.67, 0.00316558/step Wall: 2822.67, 0.00316558/step, 3.61122 hours remaining, 237.816406 MB of memory in use. ENERGY: 893200 4062.9273 20415.6081 14490.5650 250.5331 -203504.7501 2512.9275 0.0000 0.0000 52007.0528 -109765.1363 298.8852 -161772.1891 -109404.7714 298.5862 -157.9703 -126.4211 762201.4745 8.7997 8.8484 PRESSURE: 893400 -162.122 -148.433 -190.799 -148.432 -128.154 -128.577 -190.799 -128.578 -392.876 GPRESSURE: 893400 -223.419 -60.7183 -120.416 -43.485 -69.3918 -172.021 -59.3895 -125.93 -306.989 PRESSAVG: 893400 39.2554 -11.2996 2.86978 -11.2996 -31.3383 -39.9504 2.86976 -39.9504 10.3366 GPRESSAVG: 893400 39.2258 -11.6237 2.91799 -11.603 -30.5327 -40.5357 3.72282 -39.7733 9.26954 TIMING: 893400 CPU: 2823.31, 0.00319633/step Wall: 2823.31, 0.00319633/step, 3.64612 hours remaining, 237.816406 MB of memory in use. ENERGY: 893400 3961.8168 20474.6656 14559.6038 246.1486 -203653.8132 2655.0072 0.0000 0.0000 51932.6507 -109823.9206 298.4577 -161756.5713 -109467.7654 298.4370 -227.7176 -199.9333 760628.1525 6.0845 5.9875 PRESSURE: 893600 -83.5312 20.5207 114.708 20.52 130.751 -22.4532 114.708 -22.453 89.1006 GPRESSURE: 893600 -17.1233 115.466 116.956 55.9869 141.366 -34.198 75.8178 49.8399 93.9254 PRESSAVG: 893600 39.0454 -26.8005 12.4448 -26.8005 -24.3047 3.4863 12.4448 3.48632 -33.6354 GPRESSAVG: 893600 37.9893 -23.778 11.9772 -26.3656 -25.1458 3.82229 12.1472 4.1514 -31.4269 TIMING: 893600 CPU: 2823.95, 0.00322708/step Wall: 2823.95, 0.00322708/step, 3.68102 hours remaining, 237.816406 MB of memory in use. ENERGY: 893600 4045.4310 20595.6023 14433.8810 248.3392 -203697.8037 2713.7167 0.0000 0.0000 51911.4478 -109749.3857 298.3358 -161660.8335 -109392.5272 298.7213 45.4402 72.7227 761246.3359 -6.2982 -6.1945 PRESSURE: 893800 -6.75382 -60.4066 -132.282 -60.407 -170.662 -36.5835 -132.282 -36.5838 -179.972 GPRESSURE: 893800 29.4116 -121.519 -133.607 -54.7959 -181.916 -146.832 -55.2313 9.03409 -119.462 PRESSAVG: 893800 13.167 56.1749 8.4641 56.1749 7.24503 -54.2122 8.46407 -54.2122 15.1658 GPRESSAVG: 893800 13.7516 55.3741 8.11233 56.2125 7.81564 -53.6464 6.24449 -55.1967 14.1519 TIMING: 893800 CPU: 2824.59, 0.00320382/step Wall: 2824.59, 0.00320382/step, 3.65432 hours remaining, 237.816406 MB of memory in use. ENERGY: 893800 4023.1863 20419.8962 14455.5125 247.1489 -203814.7595 2798.1592 0.0000 0.0000 52114.2163 -109756.6400 299.5011 -161870.8564 -109385.6414 298.2525 -119.1291 -90.6554 759017.8971 11.8593 11.9064 PRESSURE: 894000 -170.19 -82.4165 -67.6974 -82.4162 -266.636 -125.563 -67.6969 -125.563 -361.764 GPRESSURE: 894000 -76.7797 -132.472 -36.8395 7.33419 -286.374 -137.428 -144.354 -138.928 -389.3 PRESSAVG: 894000 59.4759 17.3778 -59.0638 17.3779 -42.3161 -68.0839 -59.0638 -68.0839 -8.08817 GPRESSAVG: 894000 59.0592 16.1766 -57.7107 17.8146 -41.7981 -68.3097 -57.8228 -67.8037 -7.98237 TIMING: 894000 CPU: 2825.24, 0.00324596/step Wall: 2825.24, 0.00324596/step, 3.7022 hours remaining, 237.816406 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: 894000 3934.1998 20433.3003 14533.6072 237.0781 -203088.9435 2286.9166 0.0000 0.0000 52096.1216 -109567.7198 299.3971 -161663.8414 -109204.5303 298.8648 -266.1968 -250.8179 761680.0562 3.0239 3.0929 PRESSURE: 894200 76.2881 75.9623 -18.5529 75.9618 86.1194 -66.9719 -18.552 -66.971 234.945 GPRESSURE: 894200 148.879 -9.43093 43.3352 -34.2214 152.215 -67.5962 -56.2141 42.9622 186.3 PRESSAVG: 894200 62.3575 -30.9124 5.67851 -30.9123 -54.0571 -11.9056 5.67849 -11.9056 -6.58485 GPRESSAVG: 894200 64.2006 -31.1317 3.85858 -33.0311 -54.1266 -11.7864 6.06032 -10.575 -8.20453 TIMING: 894200 CPU: 2825.89, 0.00322367/step Wall: 2825.89, 0.00322367/step, 3.67659 hours remaining, 237.816406 MB of memory in use. ENERGY: 894200 3940.7290 20346.5258 14506.2015 256.2136 -203590.2371 2849.4310 0.0000 0.0000 52023.3727 -109667.7636 298.9790 -161691.1363 -109306.7522 298.8329 132.4510 162.4647 761128.0077 0.5719 0.6232 PRESSURE: 894400 49.3589 11.9422 64.2719 11.9434 28.9472 274.423 64.2724 274.423 -103.52 GPRESSURE: 894400 59.657 68.6556 102.583 -71.6666 56.5097 221.266 14.3944 113.263 -33.1418 PRESSAVG: 894400 59.4433 -9.71951 34.1698 -9.7195 -31.5328 -1.81191 34.1699 -1.81195 -14.5535 GPRESSAVG: 894400 59.4034 -8.80725 34.4606 -8.963 -31.0331 -3.24204 34.1324 -2.03966 -14.6172 TIMING: 894400 CPU: 2826.52, 0.00317147/step Wall: 2826.52, 0.00317147/step, 3.61688 hours remaining, 237.816406 MB of memory in use. ENERGY: 894400 3991.0690 20429.3904 14533.4902 262.0178 -203545.4448 2804.4782 0.0000 0.0000 51907.4619 -109617.5372 298.3129 -161524.9991 -109262.0113 298.7176 -8.4047 27.6750 760676.1170 4.4523 4.5844 PRESSURE: 894600 -41.0507 -58.031 -48.1121 -58.0311 -59.3609 59.4342 -48.1119 59.4349 31.1226 GPRESSURE: 894600 -48.5262 -179.247 -49.4455 -111.036 53.418 72.5532 -61.8953 14.3667 19.6436 PRESSAVG: 894600 -4.35337 -67.1796 25.2466 -67.1797 30.4803 -14.4667 25.2466 -14.4667 -6.22372 GPRESSAVG: 894600 -5.11003 -66.5281 24.5908 -67.9468 29.2092 -12.6305 24.9388 -14.2533 -4.22292 TIMING: 894600 CPU: 2827.16, 0.00318116/step Wall: 2827.16, 0.00318116/step, 3.62776 hours remaining, 237.816406 MB of memory in use. ENERGY: 894600 4080.3139 20374.1792 14433.6843 246.7454 -203709.1375 2642.9677 0.0000 0.0000 52168.5995 -109762.6475 299.8137 -161931.2470 -109399.1706 298.8596 -23.0964 8.1785 761606.7693 6.6344 6.6254 PRESSURE: 894800 -122.484 19.7001 -189.479 19.7 -329.885 27.1784 -189.479 27.1787 -95.1552 GPRESSURE: 894800 -113.357 -13.2784 -141.205 59.8198 -234.898 -55.54 -4.88891 144.983 -99.0318 PRESSAVG: 894800 15.6789 -26.1789 -33.5582 -26.1789 -38.0504 -62.3152 -33.5581 -62.3152 13.0484 GPRESSAVG: 894800 15.3776 -27.6509 -31.9764 -24.0334 -37.4845 -62.5266 -31.5141 -64.5145 12.5668 TIMING: 894800 CPU: 2827.8, 0.00320167/step Wall: 2827.8, 0.00320167/step, 3.65097 hours remaining, 237.816406 MB of memory in use. ENERGY: 894800 3932.1757 20270.4483 14514.9363 242.9047 -203706.5977 2785.6796 0.0000 0.0000 52183.1812 -109777.2718 299.8975 -161960.4530 -109410.5069 298.9691 -182.5080 -149.0955 762562.7748 -3.1077 -3.1800 PRESSURE: 895000 -62.342 21.5124 -246.071 21.5125 -41.5513 199.899 -246.07 199.898 -101.342 GPRESSURE: 895000 21.2083 22.4241 -176.25 -23.5909 -4.26164 177.383 -267.7 182.568 -159.387 PRESSAVG: 895000 -51.879 9.99773 7.7585 9.99771 -3.80584 2.2611 7.75847 2.26114 5.37052 GPRESSAVG: 895000 -51.5047 10.4491 6.83416 9.6733 -4.1054 3.44566 7.18857 2.36836 5.043 TIMING: 895000 CPU: 2828.43, 0.00316871/step Wall: 2828.43, 0.00316871/step, 3.61321 hours remaining, 237.816406 MB of memory in use. ENERGY: 895000 4015.0543 20440.0767 14452.0209 258.0540 -203148.4740 2361.4353 0.0000 0.0000 51976.2690 -109645.5637 298.7083 -161621.8327 -109283.0455 298.7591 -68.4117 -47.4801 760144.5516 -16.7714 -16.8557 PRESSURE: 895200 -236.888 -157.21 249.783 -157.21 44.2149 -3.76234 249.783 -3.76128 -138.816 GPRESSURE: 895200 -225.299 -216.647 276.191 -195.583 147.558 -18.8465 221.897 81.2936 -154.311 PRESSAVG: 895200 23.1534 -87.7673 -12.3999 -87.7673 -54.1524 -33.7895 -12.3999 -33.7896 -2.39079 GPRESSAVG: 895200 24.0221 -87.499 -11.4466 -89.4602 -55.0656 -33.7824 -15.7559 -33.7395 -2.33493 TIMING: 895200 CPU: 2829.07, 0.00317516/step Wall: 2829.07, 0.00317516/step, 3.62038 hours remaining, 237.816406 MB of memory in use. ENERGY: 895200 4034.8697 20530.2684 14494.7803 234.4720 -203755.1374 2808.2679 0.0000 0.0000 51842.9445 -109809.5346 297.9421 -161652.4791 -109465.8197 298.6951 -110.4964 -77.3507 759928.9993 -11.1299 -11.1261 PRESSURE: 895400 -610.787 -105.968 130.823 -105.968 -215.065 18.82 130.823 18.8204 -300.136 GPRESSURE: 895400 -529.523 13.168 128.777 -209.431 -183.266 10.0072 124.6 85.6608 -321.709 PRESSAVG: 895400 12.1687 -71.2536 -4.83711 -71.2536 42.2542 -37.7888 -4.83703 -37.7888 0.99652 GPRESSAVG: 895400 11.4712 -71.7244 -5.47159 -71.028 43.6808 -39.3422 -2.63756 -36.0841 0.851308 TIMING: 895400 CPU: 2829.71, 0.00318781/step Wall: 2829.71, 0.00318781/step, 3.63463 hours remaining, 237.816406 MB of memory in use. ENERGY: 895400 4060.9621 20598.8908 14586.3693 229.4173 -203690.5613 2533.0142 0.0000 0.0000 51786.4168 -109895.4908 297.6172 -161681.9076 -109542.7903 298.4710 -375.3294 -344.8325 761008.6149 18.4731 18.6678 PRESSURE: 895600 -174.825 -37.5824 -101.391 -37.5818 -0.977433 -147.641 -101.392 -147.641 114.681 GPRESSURE: 895600 -106.433 -30.7547 -196.601 -28.1134 0.0457927 -132.781 -53.2826 -146.536 133.194 PRESSAVG: 895600 27.0362 8.20468 32.8214 8.20475 -26.8111 -35.1856 32.8214 -35.1856 -22.8064 GPRESSAVG: 895600 26.6663 7.25205 31.8557 10.4206 -26.4258 -34.3126 33.9963 -37.3539 -22.4299 TIMING: 895600 CPU: 2830.35, 0.00319965/step Wall: 2830.35, 0.00319965/step, 3.64795 hours remaining, 237.816406 MB of memory in use. ENERGY: 895600 3999.8483 20421.6953 14507.4427 246.1800 -203756.3455 2695.5788 0.0000 0.0000 51856.0650 -110029.5354 298.0175 -161885.6004 -109666.3478 298.1138 -20.3736 8.9356 759557.5629 -7.5271 -7.3965 PRESSURE: 895800 -315.546 -2.61418 29.5372 -2.6146 -166.512 4.83584 29.537 4.83601 -268.651 GPRESSURE: 895800 -231.912 66.3706 99.269 -88.3934 -186.424 -33.1221 -69.3763 70.9004 -238.665 PRESSAVG: 895800 -6.71748 3.33099 -67.6504 3.33091 0.583911 -17.8115 -67.6505 -17.8114 4.22075 GPRESSAVG: 895800 -5.99304 4.11074 -66.1158 2.23527 -0.529405 -18.7196 -68.6468 -14.6005 4.37902 TIMING: 895800 CPU: 2830.99, 0.00323801/step Wall: 2830.99, 0.00323801/step, 3.69151 hours remaining, 237.816406 MB of memory in use. ENERGY: 895800 4008.4896 20354.4137 14588.2886 242.1143 -203408.0283 2371.0583 0.0000 0.0000 51934.1257 -109909.5381 298.4661 -161843.6639 -109540.2839 298.4660 -250.2364 -219.0005 761695.0243 -0.6376 -0.7145 PRESSURE: 896000 -167.509 90.7596 30.3624 90.7595 -36.2263 30.0099 30.3622 30.0103 -100.584 GPRESSURE: 896000 -111.888 -57.9005 -54.542 88.5038 14.8997 -96.938 49.1002 121.917 -98.5162 PRESSAVG: 896000 -48.2771 14.1959 -21.2307 14.1959 71.3177 14.5793 -21.2307 14.5793 -3.57565 GPRESSAVG: 896000 -47.9116 15.4649 -21.4108 13.7768 71.6072 14.0541 -23.8408 11.9446 -4.05176 TIMING: 896000 CPU: 2831.64, 0.00322822/step Wall: 2831.64, 0.00322822/step, 3.68017 hours remaining, 237.816406 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: 896000 4005.6643 20510.1426 14465.8535 250.2700 -203268.4387 2286.2633 0.0000 0.0000 52179.9450 -109570.3000 299.8789 -161750.2450 -109205.1842 298.9815 -101.4396 -65.1682 760302.8582 6.4883 6.5480 PRESSURE: 896200 218.989 87.2871 16.4893 87.2873 272.534 43.8664 16.4898 43.8667 136.57 GPRESSURE: 896200 285.169 -28.0949 -31.5053 113.767 306.054 -1.35554 -86.2684 171.325 130.771 PRESSAVG: 896200 -9.95277 -21.093 -45.0763 -21.093 4.16721 6.54059 -45.0763 6.54063 3.75029 GPRESSAVG: 896200 -9.4571 -24.1585 -44.9909 -20.1243 3.73588 7.38954 -43.7725 7.47226 4.08119 TIMING: 896200 CPU: 2832.28, 0.00321251/step Wall: 2832.28, 0.00321251/step, 3.66208 hours remaining, 237.816406 MB of memory in use. ENERGY: 896200 3942.6707 20520.7174 14520.2688 249.3200 -203723.4014 2754.8967 0.0000 0.0000 52152.1796 -109583.3481 299.7193 -161735.5278 -109216.8075 299.1086 209.3641 240.6644 758705.6144 -0.6784 -0.5467 LDB: ============= START OF LOAD BALANCING ============== 2844.74 LDB: ============== END OF LOAD BALANCING =============== 2844.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2844.74 LDB: ============= START OF LOAD BALANCING ============== 2845.06 LDB: Largest compute 7070 load 0.035952 is 18.4% of average load 0.194977 LDB: Average compute 0.004418 is 2.3% of average load 0.194977 LDB: TIME 2845.06 LOAD: AVG 0.194977 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.113 MB LDB: TIME 2845.06 LOAD: AVG 0.194977 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: TIME 2845.07 LOAD: AVG 0.194977 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.113 MB LDB: ============== END OF LOAD BALANCING =============== 2845.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2845.07 PRESSURE: 896400 247.13 -101.182 -155.995 -101.182 -113.16 262.053 -155.995 262.053 534.312 GPRESSURE: 896400 259.361 -9.16036 -174.409 -10.3071 -142.588 263.092 -84.6772 204.01 587.617 PRESSAVG: 896400 22.0517 1.86073 -30.3903 1.86073 -3.2369 -24.6499 -30.3903 -24.6499 3.86326 GPRESSAVG: 896400 22.1519 3.19036 -30.5313 1.39372 -3.99774 -25.1296 -29.8843 -24.2423 4.16645 TIMING: 896400 CPU: 2832.94, 0.00327291/step Wall: 2832.94, 0.00327291/step, 3.73075 hours remaining, 236.785156 MB of memory in use. ENERGY: 896400 4072.6089 20574.5806 14480.3833 225.6660 -203924.5305 2800.3604 0.0000 0.0000 52267.5030 -109503.4284 300.3821 -161770.9314 -109146.8239 299.5069 222.7607 234.7970 759335.0221 7.5594 7.4402 PRESSURE: 896600 -66.5021 -219.928 217.312 -219.929 -41.1149 -40.0428 217.311 -40.043 615.28 GPRESSURE: 896600 -175.34 -186.484 112.567 -221.036 181.475 -155.298 91.71 74.802 562.981 PRESSAVG: 896600 -8.76434 -7.75635 -26.5636 -7.75638 12.4418 -13.0154 -26.5635 -13.0153 -20.7316 GPRESSAVG: 896600 -9.51178 -7.48058 -26.9145 -8.55406 14.1305 -10.7989 -27.5021 -14.2137 -21.2973 TIMING: 896600 CPU: 2833.58, 0.00322717/step Wall: 2833.58, 0.00322717/step, 3.67844 hours remaining, 237.191406 MB of memory in use. ENERGY: 896600 3985.9342 20666.5985 14503.9840 254.9336 -203111.8424 2473.6488 0.0000 0.0000 51768.6453 -109458.0980 297.5151 -161226.7433 -109108.9316 299.4553 169.2209 189.7053 760440.3665 -5.6847 -5.5595 PRESSURE: 896800 -12 109.365 -5.6565 109.364 -183.153 -178.021 -5.65689 -178.021 317.3 GPRESSURE: 896800 76.3715 97.2194 -59.0106 133.407 -174.649 -126.467 75.4134 -19.3686 283.226 PRESSAVG: 896800 -83.4259 10.7439 1.23597 10.7439 29.8011 26.7994 1.23594 26.7993 7.81026 GPRESSAVG: 896800 -83.0534 11.5838 2.04129 11.9081 29.5917 27.7401 2.22091 26.149 7.30919 TIMING: 896800 CPU: 2834.22, 0.00321056/step Wall: 2834.22, 0.00321056/step, 3.65932 hours remaining, 237.191406 MB of memory in use. ENERGY: 896800 4035.1087 20661.7644 14523.0869 226.7574 -203655.2368 2669.9486 0.0000 0.0000 51965.1986 -109573.3722 298.6447 -161538.5708 -109212.5651 298.9417 40.7154 61.6495 761187.4436 -15.2715 -15.3842 PRESSURE: 897000 -161.021 60.7981 -174.276 60.797 -479.049 -139.485 -174.276 -139.485 -126.928 GPRESSURE: 897000 -127.538 10.1376 -163.838 -2.03641 -412.018 -166.228 27.172 -175.425 -142.597 PRESSAVG: 897000 3.43913 -4.42154 13.8891 -4.42158 6.79363 -9.31949 13.8891 -9.31945 -3.21708 GPRESSAVG: 897000 2.21519 -6.65671 14.0643 -3.35831 5.60159 -11.5128 13.5019 -8.89368 -0.971797 TIMING: 897000 CPU: 2834.86, 0.00320003/step Wall: 2834.86, 0.00320003/step, 3.64715 hours remaining, 237.394531 MB of memory in use. ENERGY: 897000 3981.4565 20605.9647 14564.8582 251.2770 -203566.5131 2592.3919 0.0000 0.0000 51947.0565 -109623.5083 298.5404 -161570.5648 -109262.3278 299.2012 -255.6658 -227.3840 761812.4606 2.3386 2.2817 PRESSURE: 897200 -224.679 161.561 -97.0494 161.561 -174.581 18.1711 -97.0493 18.1702 -5.26301 GPRESSURE: 897200 -244.228 85.805 -126.268 134.663 -36.6994 39.5874 42.681 -42.5027 -26.9986 PRESSAVG: 897200 -16.7095 5.87524 -27.3843 5.87526 24.6887 -24.0777 -27.3843 -24.0777 -8.05602 GPRESSAVG: 897200 -16.5421 6.76915 -29.1569 4.26725 25.0364 -23.2195 -26.245 -23.1592 -8.46665 TIMING: 897200 CPU: 2835.51, 0.0032301/step Wall: 2835.51, 0.0032301/step, 3.68124 hours remaining, 237.394531 MB of memory in use. ENERGY: 897200 3928.5873 20355.9825 14529.2355 246.1019 -203793.2699 2470.0253 0.0000 0.0000 52320.7705 -109942.5669 300.6882 -162263.3374 -109561.5741 298.7072 -134.8407 -102.6419 760531.4046 -0.0256 0.0092 PRESSURE: 897400 -159.393 -41.2397 -197.952 -41.2403 -64.2769 39.619 -197.952 39.6197 38.5538 GPRESSURE: 897400 -157.587 -135.124 -214.875 49.0499 48.4727 53.4222 -156.629 125.593 26.1988 PRESSAVG: 897400 -23.6241 42.1065 7.13864 42.1064 53.7867 -14.8072 7.13864 -14.8071 18.2287 GPRESSAVG: 897400 -23.6404 40.008 7.78429 45.371 53.7244 -15.0629 6.39452 -13.3891 17.9522 TIMING: 897400 CPU: 2836.15, 0.00318292/step Wall: 2836.15, 0.00318292/step, 3.62729 hours remaining, 237.394531 MB of memory in use. ENERGY: 897400 4043.7893 20432.9935 14513.7081 244.7391 -204013.2947 2999.6372 0.0000 0.0000 51921.9028 -109856.5247 298.3959 -161778.4275 -109511.4274 298.6579 -61.7054 -27.6386 760277.1784 16.1304 16.0121 PRESSURE: 897600 -130.921 8.20451 -150.09 8.20448 -4.48757 11.4089 -150.091 11.4084 -20.3213 GPRESSURE: 897600 -124.802 -44.7539 -109.196 51.6766 53.3367 13.484 -160.641 -22.5865 4.83146 PRESSAVG: 897600 -22.5667 14.9081 -25.1799 14.908 -10.1609 -3.25354 -25.1799 -3.25347 11.8319 GPRESSAVG: 897600 -22.9151 16.3729 -25.6795 12.7923 -9.69824 0.0756215 -25.416 -4.44309 12.3392 TIMING: 897600 CPU: 2836.79, 0.00320504/step Wall: 2836.79, 0.00320504/step, 3.65232 hours remaining, 237.394531 MB of memory in use. ENERGY: 897600 4030.0535 20493.6152 14502.5698 258.5751 -203554.7697 2608.0908 0.0000 0.0000 51891.0074 -109770.8580 298.2183 -161661.8653 -109423.8467 298.4483 -51.9101 -22.2112 761634.2409 -6.9652 -6.7580 PRESSURE: 897800 -343.843 -240.117 224.579 -240.118 97.7026 -91.1349 224.579 -91.1353 32.9706 GPRESSURE: 897800 -230.232 -223.878 255.784 -160.47 65.1588 -132.55 204.279 -134.421 36.6683 PRESSAVG: 897800 19.2997 -26.2988 -22.3832 -26.2989 5.33715 18.8967 -22.3832 18.8967 11.1528 GPRESSAVG: 897800 19.7284 -25.1212 -20.556 -26.7533 5.03353 15.8731 -24.538 16.8724 11.3423 TIMING: 897800 CPU: 2837.43, 0.00321875/step Wall: 2837.43, 0.00321875/step, 3.66777 hours remaining, 237.394531 MB of memory in use. ENERGY: 897800 3949.1560 20308.4973 14552.3562 241.0290 -203434.7218 2504.6640 0.0000 0.0000 52111.9252 -109767.0941 299.4880 -161879.0193 -109396.3273 298.9109 -71.0566 -42.8018 761534.2512 11.9299 12.0347 PRESSURE: 898000 255.716 -62.122 151.656 -62.1224 53.3503 12.2786 151.657 12.2795 63.1481 GPRESSURE: 898000 276.316 -151.009 105.196 10.2865 132.285 11.5656 -38.3744 16.4481 61.2304 PRESSAVG: 898000 -42.0028 -21.5751 -6.98219 -21.5751 8.61068 -37.7712 -6.98218 -37.7712 -23.0491 GPRESSAVG: 898000 -41.8598 -23.3165 -9.21616 -20.2773 9.72886 -35.9308 -4.45607 -34.6294 -24.0581 TIMING: 898000 CPU: 2838.07, 0.00320967/step Wall: 2838.07, 0.00320967/step, 3.65724 hours remaining, 237.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 898000 3966.2797 20584.0783 14519.7358 235.8865 -203805.5612 2749.0329 0.0000 0.0000 52132.7292 -109617.8188 299.6075 -161750.5480 -109252.5998 299.3570 124.0713 156.6107 761157.7490 -18.8137 -18.7297 PRESSURE: 898200 92.7395 -51.3429 62.2634 -51.3432 -321.118 -82.0801 62.2637 -82.0787 -310.497 GPRESSURE: 898200 92.2067 -9.71155 71.277 -71.3143 -265.774 -115.221 -111.411 -176.865 -281.595 PRESSAVG: 898200 -26.8391 -35.6278 -7.30734 -35.6278 -28.536 5.83215 -7.30726 5.83214 -9.32671 GPRESSAVG: 898200 -26.4219 -32.6203 -6.22216 -37.4731 -28.384 3.4388 -8.29472 5.22827 -9.71148 TIMING: 898200 CPU: 2838.71, 0.00320612/step Wall: 2838.71, 0.00320612/step, 3.65301 hours remaining, 237.394531 MB of memory in use. ENERGY: 898200 4054.9592 20364.8099 14502.2393 224.0407 -203270.9983 2562.9850 0.0000 0.0000 52052.3872 -109509.5769 299.1458 -161561.9641 -109144.6492 299.1339 -179.6251 -151.7208 762385.3983 -21.5673 -21.5058 PRESSURE: 898400 -79.7159 191.435 25.0436 191.435 -161.97 43.201 25.0441 43.2008 -48.4207 GPRESSURE: 898400 -76.3676 167.827 71.0776 92.9543 -125.659 62.5099 -78.1824 -53.6419 -10.9117 PRESSAVG: 898400 -9.77054 -2.47741 43.532 -2.47746 51.6111 17.2592 43.532 17.2593 -14.331 GPRESSAVG: 898400 -10.6606 -6.59011 44.1978 -0.526606 52.4219 19.2777 44.9105 17.371 -14.2961 TIMING: 898400 CPU: 2839.36, 0.00321498/step Wall: 2839.36, 0.00321498/step, 3.66294 hours remaining, 237.394531 MB of memory in use. ENERGY: 898400 3976.7744 20470.4427 14459.2905 253.5182 -203283.1194 2696.8494 0.0000 0.0000 52037.6472 -109388.5970 299.0611 -161426.2442 -109034.5868 299.2113 -96.7022 -70.9794 762120.8173 9.1699 9.1551 PRESSURE: 898600 164.416 91.0651 -51.1485 91.0644 126.14 -115.757 -51.1485 -115.757 318.989 GPRESSURE: 898600 220.885 78.0022 -118.017 36.0137 174.704 -115.812 36.4341 -129.22 308.776 PRESSAVG: 898600 -0.390578 -81.2333 61.1247 -81.2332 -15.8703 13.853 61.1248 13.8529 4.31892 GPRESSAVG: 898600 -0.804059 -77.2232 60.0568 -83.2658 -16.9634 12.5218 61.117 14.2374 5.08855 TIMING: 898600 CPU: 2840, 0.0032292/step Wall: 2840, 0.0032292/step, 3.67896 hours remaining, 237.394531 MB of memory in use. ENERGY: 898600 3955.0332 20441.5419 14490.2122 241.0924 -203208.0092 2573.8873 0.0000 0.0000 52234.1782 -109272.0640 300.1905 -161506.2422 -108910.9388 298.8807 203.1818 234.7882 760568.4827 -3.9807 -4.2263 PRESSURE: 898800 -58.8105 45.0313 -76.89 45.0324 -102.275 -8.96354 -76.89 -8.96307 -240.448 GPRESSURE: 898800 -45.2067 13.035 13.2553 -35.5095 -88.3018 -71.5318 -251.339 67.4786 -155.274 PRESSAVG: 898800 -6.66568 -54.9666 60.9388 -54.9665 8.61237 6.99712 60.9389 6.9972 14.9921 GPRESSAVG: 898800 -6.70826 -56.0251 62.923 -54.7261 8.01666 7.72555 60.2314 7.57694 15.8675 TIMING: 898800 CPU: 2840.65, 0.00322847/step Wall: 2840.65, 0.00322847/step, 3.67795 hours remaining, 237.394531 MB of memory in use. ENERGY: 898800 4099.4364 20457.7575 14478.1475 249.9050 -203142.0842 2479.5940 0.0000 0.0000 52098.1496 -109279.0943 299.4088 -161377.2439 -108906.5737 299.4599 -133.8442 -96.2607 762492.1265 5.6463 5.7253 PRESSURE: 899000 -117.66 104.609 -239.68 104.609 61.9129 -107.318 -239.68 -107.317 -204.578 GPRESSURE: 899000 -50.5241 168.554 -254.581 116.899 41.5537 -111.454 -258.958 -131.66 -152.374 PRESSAVG: 899000 62.359 21.976 -30.3788 21.9759 -18.4823 27.4642 -30.3788 27.4641 -6.37697 GPRESSAVG: 899000 62.5938 20.3285 -32.1248 21.4316 -18.9002 27.0283 -30.6722 25.4319 -6.58965 TIMING: 899000 CPU: 2841.3, 0.00323781/step Wall: 2841.3, 0.00323781/step, 3.6884 hours remaining, 237.394531 MB of memory in use. ENERGY: 899000 3970.1462 20519.6844 14544.8706 263.1022 -203546.0420 2570.3361 0.0000 0.0000 52417.7236 -109260.1790 301.2454 -161677.9026 -108886.4325 299.8343 -86.7749 -53.7814 758714.2250 12.4999 12.3680 PRESSURE: 899200 -127.934 128.767 103.276 128.767 -236.415 -55.1103 103.276 -55.1105 120.303 GPRESSURE: 899200 -36.9146 206.53 155.164 205.494 -143.171 -81.0139 71.5688 129.7 36.1999 PRESSAVG: 899200 -6.3616 53.0375 -6.01106 53.0375 17.9334 15.4587 -6.01104 15.4587 6.74642 GPRESSAVG: 899200 -5.55178 54.3244 -5.91404 53.4937 18.0472 15.3967 -4.98129 16.337 6.44711 TIMING: 899200 CPU: 2841.94, 0.00320973/step Wall: 2841.94, 0.00320973/step, 3.65624 hours remaining, 237.394531 MB of memory in use. ENERGY: 899200 4041.8048 20545.4917 14383.7199 254.7778 -203300.5104 2659.5645 0.0000 0.0000 52121.5842 -109293.5675 299.5435 -161415.1517 -108939.4626 300.0295 -81.3488 -47.9619 760860.6159 6.1061 6.3142 PRESSURE: 899400 68.6179 152.285 265.32 152.284 -16.7031 -1.17063 265.32 -1.16992 -88.7702 GPRESSURE: 899400 94.3242 -2.26751 286.201 200.696 39.9276 53.2796 91.6111 -19.2969 -81.4689 PRESSAVG: 899400 31.7028 15.5467 10.9926 15.5466 -6.6642 2.39527 10.9926 2.39525 -11.6903 GPRESSAVG: 899400 31.3555 13.3267 12.5393 14.8807 -6.99379 2.98473 6.59287 2.03224 -11.2181 TIMING: 899400 CPU: 2842.57, 0.00317828/step Wall: 2842.57, 0.00317828/step, 3.62023 hours remaining, 237.394531 MB of memory in use. ENERGY: 899400 4039.6233 20620.7440 14496.5913 246.4105 -203995.0933 2724.2306 0.0000 0.0000 52358.4964 -109508.9971 300.9050 -161867.4936 -109147.1383 299.6758 -12.2851 17.5943 761032.2853 4.4494 4.3812 PRESSURE: 899600 140.501 112.555 136.29 112.555 -175.939 -38.0051 136.289 -38.0049 14.0617 GPRESSURE: 899600 97.6941 6.31784 233.639 122.12 -133.775 -88.4126 36.3379 -7.683 97.8014 PRESSAVG: 899600 13.4381 20.4555 -31.3282 20.4555 0.779292 -9.2727 -31.3283 -9.27267 16.8917 GPRESSAVG: 899600 13.4503 22.8602 -31.5497 21.7052 2.5735 -8.78677 -28.2614 -10.1515 15.2223 TIMING: 899600 CPU: 2843.21, 0.00320505/step Wall: 2843.21, 0.00320505/step, 3.65056 hours remaining, 237.394531 MB of memory in use. ENERGY: 899600 3981.9105 20419.7970 14399.6692 239.1156 -203672.2370 2690.7793 0.0000 0.0000 52227.7424 -109713.2230 300.1536 -161940.9654 -109347.8615 299.1142 -7.1252 20.5735 761696.5395 10.3697 10.4154 PRESSURE: 899800 -104.439 122.191 82.1312 122.191 -260.693 186.652 82.1309 186.652 3.12581 GPRESSURE: 899800 -55.0296 49.2918 54.4236 18.9554 -205.567 192.237 73.9828 125.201 -1.23924 PRESSAVG: 899800 37.7421 -8.16023 11.273 -8.16023 1.26173 77.7608 11.273 77.7607 3.96741 GPRESSAVG: 899800 38.2105 -7.8276 11.858 -8.46974 0.253608 77.2109 11.026 79.9426 4.93247 TIMING: 899800 CPU: 2843.86, 0.00324098/step Wall: 2843.86, 0.00324098/step, 3.6913 hours remaining, 237.394531 MB of memory in use. ENERGY: 899800 3926.8781 20597.9234 14471.6913 276.1355 -203614.8623 2760.1680 0.0000 0.0000 51869.7452 -109712.3208 298.0961 -161582.0660 -109369.5038 298.9086 -120.6688 -87.2788 764305.0046 14.3237 14.4655 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.014 seconds, 237.395 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900000 360.763 -206.615 326.902 -206.616 -159.856 -13.5839 326.903 -13.5838 -238.491 GPRESSURE: 900000 301.29 -164.472 286.751 -247.397 -94.9772 -55.0539 263.258 -76.736 -155.853 PRESSAVG: 900000 73.4121 -33.206 -4.75358 -33.206 -42.5891 31.5829 -4.75359 31.5829 -24.2818 GPRESSAVG: 900000 74.1306 -31.9185 -7.13207 -33.7642 -42.4529 30.3513 -5.3449 30.6562 -25.2999 TIMING: 900000 CPU: 2844.53, 0.00333192/step Wall: 2844.53, 0.00333192/step, 3.79468 hours remaining, 237.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 900000 3995.0980 20492.5538 14436.0101 256.5056 -203371.4423 2615.9612 0.0000 0.0000 51631.9937 -109943.3199 296.7298 -161575.3136 -109588.3267 298.0760 -12.5278 16.8201 762550.5036 2.1804 2.1259 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 PRESSURE: 900200 -226.47 -41.5926 18.7111 -41.5935 102.392 6.1447 18.7105 6.14495 -490.025 GPRESSURE: 900200 -235.535 -30.1549 55.4863 49.2848 96.7768 61.7338 -44.0146 6.86852 -390.814 PRESSAVG: 900200 34.5707 16.2354 0.244254 16.2355 -73.5982 -25.4442 0.244283 -25.4441 3.71852 GPRESSAVG: 900200 34.0588 13.9916 1.17527 16.6258 -73.7602 -23.0868 -1.62013 -27.7104 4.59666 TIMING: 900200 CPU: 2845.18, 0.00323957/step Wall: 2845.18, 0.00323957/step, 3.68933 hours remaining, 237.394531 MB of memory in use. ENERGY: 900200 3956.4796 20367.7708 14497.0094 233.5802 -203343.6140 2727.3504 0.0000 0.0000 51727.3795 -109834.0441 297.2780 -161561.4236 -109470.4533 297.6324 -204.7011 -176.5242 761544.5711 -11.7697 -11.7016 LDB: ============= START OF LOAD BALANCING ============== 2857.63 LDB: ============== END OF LOAD BALANCING =============== 2857.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2857.63 LDB: ============= START OF LOAD BALANCING ============== 2857.95 LDB: Largest compute 7034 load 0.036019 is 18.5% of average load 0.195132 LDB: Average compute 0.004380 is 2.2% of average load 0.195132 LDB: TIME 2857.95 LOAD: AVG 0.195132 MAX 0.2151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.297 MB LDB: TIME 2857.95 LOAD: AVG 0.195132 MAX 0.2151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.5 MB LDB: TIME 2857.95 LOAD: AVG 0.195132 MAX 0.2151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.5 MB LDB: ============== END OF LOAD BALANCING =============== 2857.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2857.96 PRESSURE: 900400 271.611 -146.351 91.0516 -146.351 107.031 198.502 91.0511 198.501 57.8527 GPRESSURE: 900400 306.386 -165.085 124.376 -256.215 182.231 196.965 164.381 208.323 7.52367 PRESSAVG: 900400 -21.0328 41.9741 -13.6178 41.9741 27.001 -8.1137 -13.6178 -8.11365 2.79013 GPRESSAVG: 900400 -20.7262 39.3797 -13.6262 43.3636 26.3756 -9.98257 -10.8013 -5.96108 3.03319 TIMING: 900400 CPU: 2845.82, 0.00323084/step Wall: 2845.82, 0.00323084/step, 3.67921 hours remaining, 235.761719 MB of memory in use. ENERGY: 900400 3913.9712 20419.2874 14499.5482 244.7089 -203604.5593 2771.5418 0.0000 0.0000 52048.9988 -109706.5029 299.1263 -161755.5017 -109343.9706 298.4607 145.4982 165.3800 761009.5600 2.9195 2.8942 PRESSURE: 900600 -597.571 -34.7679 -60.9217 -34.7682 -357.809 -27.3728 -60.9221 -27.3724 50.91 GPRESSURE: 900600 -594.705 -33.7173 -1.99024 -86.002 -183.956 -21.1985 -123.708 -25.4943 -41.9044 PRESSAVG: 900600 38.8175 -27.0891 46.7848 -27.0891 -55.1246 37.7265 46.7847 37.7264 -23.2751 GPRESSAVG: 900600 38.4458 -24.0978 47.2077 -28.3514 -54.1979 38.2805 46.4831 37.2752 -23.5634 TIMING: 900600 CPU: 2846.46, 0.00316425/step Wall: 2846.46, 0.00316425/step, 3.60321 hours remaining, 235.761719 MB of memory in use. ENERGY: 900600 4084.4911 20330.8736 14432.6245 241.7581 -203115.4906 2364.8211 0.0000 0.0000 52030.4081 -109630.5142 299.0195 -161660.9223 -109270.0171 298.2052 -301.4900 -273.5218 762861.2193 -13.1941 -13.1051 PRESSURE: 900800 19.113 370.36 9.66774 370.361 91.2472 237.377 9.6681 237.377 -237.71 GPRESSURE: 900800 141.898 332.142 -34.3443 322.603 18.4813 251.146 -6.96617 147.416 -177.65 PRESSAVG: 900800 28.1746 17.1271 -4.84231 17.1271 -34.4958 -1.56836 -4.84227 -1.56839 1.95403 GPRESSAVG: 900800 27.6623 16.6193 -6.12763 17.1158 -34.1227 -2.17277 -5.77859 -0.546981 1.82864 TIMING: 900800 CPU: 2847.09, 0.00316771/step Wall: 2847.09, 0.00316771/step, 3.60696 hours remaining, 235.761719 MB of memory in use. ENERGY: 900800 3955.7044 20391.2405 14495.7424 264.6444 -203348.0495 2530.6499 0.0000 0.0000 52034.9602 -109675.1079 299.0456 -161710.0681 -109308.9103 298.5448 -42.4499 -5.7569 761978.7679 -1.4557 -1.5439 PRESSURE: 901000 26.9191 0.841346 -66.118 0.841436 -187.538 -231.383 -66.1182 -231.383 -297.259 GPRESSURE: 901000 84.0113 34.561 -51.1822 -53.4925 -144.57 -197.351 -125.821 -227.177 -315.958 PRESSAVG: 901000 52.763 -10.2845 22.6539 -10.2845 -45.2965 -39.8153 22.654 -39.8153 -4.00142 GPRESSAVG: 901000 52.9924 -8.88914 24.288 -11.915 -46.6343 -39.8194 23.9828 -39.2104 -3.75355 TIMING: 901000 CPU: 2847.72, 0.00316425/step Wall: 2847.72, 0.00316425/step, 3.60285 hours remaining, 235.761719 MB of memory in use. ENERGY: 901000 3992.1311 20649.0835 14417.2489 258.0431 -203127.6662 2299.0684 0.0000 0.0000 51848.8307 -109663.2605 297.9759 -161512.0912 -109310.3275 298.7173 -152.6260 -125.5054 760773.3500 1.1550 0.8682 PRESSURE: 901200 32.7507 -130.68 -121.091 -130.681 -11.4563 28.6978 -121.092 28.6974 -99.3242 GPRESSURE: 901200 -59.5858 -101.099 -159.696 -70.4757 84.9699 102.944 -118.649 -135.579 -36.8251 PRESSAVG: 901200 30.6787 -28.9134 -36.3148 -28.9134 -67.1964 -0.87617 -36.3147 -0.876182 1.14988 GPRESSAVG: 901200 29.7164 -29.5565 -37.6992 -27.5806 -66.4136 -0.485962 -37.419 -3.58407 1.12241 TIMING: 901200 CPU: 2848.36, 0.00318012/step Wall: 2848.36, 0.00318012/step, 3.62074 hours remaining, 235.761719 MB of memory in use. ENERGY: 901200 3928.4404 20463.3830 14483.0538 224.2812 -203240.3278 2455.3064 0.0000 0.0000 51909.5223 -109776.3408 298.3247 -161685.8631 -109413.6767 298.3006 -26.0099 -3.8137 760979.3273 -11.7893 -11.8582 PRESSURE: 901400 159.571 -140.421 34.7521 -140.421 35.7595 -46.9034 34.7516 -46.9033 160.166 GPRESSURE: 901400 227.559 -144.051 69.6985 -228.813 69.9808 -76.7544 -27.934 -34.2679 134.409 PRESSAVG: 901400 23.9719 -28.951 -38.2969 -28.951 -1.39946 -32.8296 -38.297 -32.8296 18.2993 GPRESSAVG: 901400 25.3536 -28.9345 -37.7554 -29.0565 -2.20661 -33.5028 -37.8505 -31.1052 17.1895 TIMING: 901400 CPU: 2849, 0.00319815/step Wall: 2849, 0.00319815/step, 3.64109 hours remaining, 235.761719 MB of memory in use. ENERGY: 901400 3935.5048 20483.0195 14521.0240 267.6204 -203244.2146 2436.4122 0.0000 0.0000 51628.2454 -109972.3883 296.7082 -161600.6337 -109617.3505 297.5716 118.4986 143.9827 761396.3281 13.6239 13.4455 PRESSURE: 901600 143.37 -204.655 -17.7596 -204.656 -279.67 -39.3615 -17.7596 -39.3626 -234.646 GPRESSURE: 901600 47.8494 -233.711 -20.363 -72.279 -163.738 -14.0488 -42.5286 -91.2617 -163.13 PRESSAVG: 901600 58.2285 1.55948 36.3187 1.55939 -73.8156 4.6581 36.3187 4.65811 8.01461 GPRESSAVG: 901600 57.5111 2.3483 37.5149 2.59832 -73.8519 5.34389 36.7173 5.36962 8.74238 TIMING: 901600 CPU: 2849.64, 0.00323267/step Wall: 2849.64, 0.00323267/step, 3.68021 hours remaining, 235.761719 MB of memory in use. ENERGY: 901600 4070.6944 20409.3319 14495.0906 257.2715 -203596.0607 2496.9966 0.0000 0.0000 52049.4147 -109817.2611 299.1287 -161866.6758 -109450.5620 297.7255 -123.6488 -93.0063 761705.5240 -2.5242 -2.5328 PRESSURE: 901800 -507.584 203.837 40.5455 203.837 -155.515 230.422 40.5462 230.422 -190.076 GPRESSURE: 901800 -401.593 251.669 177.611 207.603 -176.373 224.619 140.66 103.398 -183.276 PRESSAVG: 901800 34.0952 -19.9045 27.4798 -19.9045 -50.1218 15.7684 27.4798 15.7685 23.4519 GPRESSAVG: 901800 34.3776 -20.1271 26.3546 -21.4908 -50.5045 15.7211 29.0173 17.1365 23.4428 TIMING: 901800 CPU: 2850.29, 0.0032307/step Wall: 2850.29, 0.0032307/step, 3.67779 hours remaining, 235.761719 MB of memory in use. ENERGY: 901800 4050.5840 20479.9270 14508.0408 234.5121 -202927.5861 1993.0442 0.0000 0.0000 51961.8013 -109699.6768 298.6252 -161661.4780 -109340.5301 297.8510 -284.3918 -253.7475 761086.9430 2.4751 2.4386 PRESSURE: 902000 -39.4193 -49.6324 -2.22422 -49.6321 -157.003 -88.2557 -2.22467 -88.2554 -112.452 GPRESSURE: 902000 -20.7605 -148.95 166.042 -90.5674 -99.5838 -53.0187 -71.7835 -103.325 -106.503 PRESSAVG: 902000 -1.33258 2.48073 21.955 2.4807 -42.6184 -8.36531 21.955 -8.36529 -12.9469 GPRESSAVG: 902000 -1.64422 2.35831 22.6774 3.1208 -42.2245 -6.95681 20.0583 -10.7527 -13.524 TIMING: 902000 CPU: 2850.93, 0.00319631/step Wall: 2850.93, 0.00319631/step, 3.63847 hours remaining, 235.761719 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: 902000 3963.4378 20526.0098 14442.8672 242.0114 -203228.0144 2420.6436 0.0000 0.0000 52247.9537 -109385.0909 300.2697 -161633.0446 -109034.0846 298.8030 -102.9580 -75.6159 760886.3287 -18.9660 -19.1309 PRESSURE: 902200 -149.324 88.2612 -27.1557 88.262 -101.437 35.9513 -27.1563 35.9504 0.579797 GPRESSURE: 902200 -80.3143 159.458 28.8108 97.4359 -88.0983 -8.25256 61.8072 31.4127 -3.41866 PRESSAVG: 902200 20.2537 -52.0961 8.43041 -52.0962 19.4101 -10.7085 8.43042 -10.7085 21.1469 GPRESSAVG: 902200 21.5048 -52.2433 9.04844 -52.7556 18.3362 -13.0185 8.27154 -9.12053 21.2062 TIMING: 902200 CPU: 2851.57, 0.00320207/step Wall: 2851.57, 0.00320207/step, 3.64485 hours remaining, 235.761719 MB of memory in use. ENERGY: 902200 4031.6971 20542.4651 14484.7257 229.5029 -203069.2096 2246.4902 0.0000 0.0000 52325.3646 -109208.9640 300.7146 -161534.3286 -108848.6329 299.4683 -83.3937 -57.2771 761009.5806 20.2702 20.3491 PRESSURE: 902400 -89.854 -124.489 -276.891 -124.49 -227.415 -121.149 -276.891 -121.148 44.7337 GPRESSURE: 902400 -42.6326 -29.3944 -283.356 -83.5955 -169.344 -37.622 -269.267 -62.9032 19.36 PRESSAVG: 902400 37.5222 -63.4543 23.3278 -63.4543 -48.6283 12.9969 23.3278 12.997 10.8434 GPRESSAVG: 902400 38.0381 -62.2898 22.5149 -62.8513 -48.9819 13.3895 24.9203 12.1453 10.2464 TIMING: 902400 CPU: 2852.21, 0.00321058/step Wall: 2852.21, 0.00321058/step, 3.65435 hours remaining, 235.761719 MB of memory in use. ENERGY: 902400 3977.2048 20500.9506 14531.6550 254.9498 -203178.7630 2305.0353 0.0000 0.0000 52307.1235 -109301.8439 300.6098 -161608.9674 -108941.6684 299.7800 -90.8451 -64.2054 759509.8471 -0.0876 -0.2324 PRESSURE: 902600 213.578 53.3616 -373.209 53.3607 -351.101 -257.095 -373.208 -257.095 -146.16 GPRESSURE: 902600 148.513 -9.09777 -337.282 52.8498 -225.412 -369.729 -298.26 -232.267 -140.811 PRESSAVG: 902600 0.448365 16.9508 6.83654 16.9507 -17.2933 21.09 6.83657 21.0901 9.2067 GPRESSAVG: 902600 -0.689579 15.4653 6.91249 16.2686 -16.2387 21.8728 4.9885 21.064 9.5942 TIMING: 902600 CPU: 2852.85, 0.00318636/step Wall: 2852.85, 0.00318636/step, 3.62661 hours remaining, 235.761719 MB of memory in use. ENERGY: 902600 3992.5079 20523.2132 14445.3413 256.6432 -203050.3453 2352.4883 0.0000 0.0000 52130.5149 -109349.6364 299.5948 -161480.1513 -108979.5725 299.4950 -94.5610 -72.5700 760678.0821 -2.5461 -2.4447 PRESSURE: 902800 13.5563 199.17 -65.8839 199.171 -84.9858 -97.4421 -65.8834 -97.4431 -175.114 GPRESSURE: 902800 89.402 274.132 -54.2338 162.449 -73.5656 -130.322 -31.8388 -168.935 -156.678 PRESSAVG: 902800 39.8998 27.2566 -57.3958 27.2566 -101.449 -5.44023 -57.3958 -5.44022 3.26216 GPRESSAVG: 902800 40.4881 27.4673 -57.6307 28.2552 -101.149 -5.81672 -56.5843 -6.84539 2.62258 TIMING: 902800 CPU: 2853.49, 0.0032045/step Wall: 2853.49, 0.0032045/step, 3.64708 hours remaining, 235.761719 MB of memory in use. ENERGY: 902800 3983.7617 20425.8731 14580.8166 216.9833 -203186.7250 2628.1808 0.0000 0.0000 52071.3394 -109279.7700 299.2547 -161351.1094 -108914.1412 299.5154 -82.1810 -46.9473 761030.1812 -19.4290 -19.3460 PRESSURE: 903000 -67.231 -133.452 -181.567 -133.452 91.1668 -252.627 -181.568 -252.626 -92.7973 GPRESSURE: 903000 77.8259 -104.863 -222.031 -146.255 70.2513 -256.995 -60.9644 -177.757 -129.709 PRESSAVG: 903000 -3.21469 -23.6262 -11.3403 -23.6261 -21.3992 -68.1839 -11.3402 -68.1838 -22.6904 GPRESSAVG: 903000 -3.06206 -23.4921 -13.4892 -23.5724 -22.4082 -68.908 -9.92493 -67.9411 -21.7079 TIMING: 903000 CPU: 2854.14, 0.00322458/step Wall: 2854.14, 0.00322458/step, 3.66976 hours remaining, 235.761719 MB of memory in use. ENERGY: 903000 3981.4621 20568.6018 14460.0556 252.3778 -203382.6939 2780.2220 0.0000 0.0000 52045.7325 -109294.2421 299.1075 -161339.9746 -108940.7226 299.8091 -22.9538 6.1229 761647.2664 -15.7681 -15.7261 PRESSURE: 903200 -27.5464 -29.9366 310.325 -29.9356 337.239 -33.9961 310.324 -33.9959 137.059 GPRESSURE: 903200 57.4219 5.74942 276.814 -215.557 344.722 -29.4848 189.383 -205.891 117.218 PRESSAVG: 903200 -25.1337 -14.3586 31.1319 -14.3586 35.1926 -29.6318 31.1319 -29.6318 -20.1566 GPRESSAVG: 903200 -25.0196 -14.8537 32.989 -16.5271 36.4464 -29.5686 27.5965 -29.5949 -21.186 TIMING: 903200 CPU: 2854.78, 0.00323066/step Wall: 2854.78, 0.00323066/step, 3.67649 hours remaining, 235.761719 MB of memory in use. ENERGY: 903200 3996.7777 20618.7189 14461.4909 265.6268 -203340.0095 2674.3467 0.0000 0.0000 52102.1843 -109220.8642 299.4320 -161323.0485 -108851.5793 299.7377 148.9174 173.1208 760813.5098 -3.3659 -3.2531 PRESSURE: 903400 186.896 -279.707 -142.029 -279.707 72.8898 -5.40836 -142.029 -5.40867 -49.076 GPRESSURE: 903400 186.384 -300.61 -125.111 -194.216 38.1797 48.6711 23.0227 -33.7312 68.6602 PRESSAVG: 903400 23.1089 -48.1575 16.1212 -48.1575 -20.511 -0.530101 16.1212 -0.53008 -17.3576 GPRESSAVG: 903400 22.2053 -47.0295 16.0502 -47.6762 -22.4164 -0.158906 18.0334 -1.46396 -15.4285 TIMING: 903400 CPU: 2855.43, 0.00321935/step Wall: 2855.43, 0.00321935/step, 3.66345 hours remaining, 235.761719 MB of memory in use. ENERGY: 903400 3927.3276 20458.5338 14476.9042 240.2236 -203471.6674 2749.4289 0.0000 0.0000 52132.4553 -109486.7939 299.6059 -161619.2493 -109119.2362 299.6745 70.2367 97.7414 762474.9752 -4.9199 -5.2132 PRESSURE: 903600 -308.435 5.96075 207.504 5.96119 -164.836 -65.1368 207.504 -65.1372 45.8644 GPRESSURE: 903600 -177.144 -21.8226 156.593 -122.62 -145.24 -93.9152 157.006 -140.357 -3.81022 PRESSAVG: 903600 -32.0565 -26.9005 29.2456 -26.9006 -3.36136 -18.4383 29.2455 -18.4383 13.7231 GPRESSAVG: 903600 -32.0182 -27.578 29.5966 -27.1746 -1.96141 -18.9151 30.2706 -16.074 12.5074 TIMING: 903600 CPU: 2856.07, 0.0032018/step Wall: 2856.07, 0.0032018/step, 3.64329 hours remaining, 235.761719 MB of memory in use. ENERGY: 903600 3991.8414 20605.2341 14524.7907 229.3216 -203282.2428 2646.9370 0.0000 0.0000 52168.1387 -109115.9792 299.8110 -161284.1179 -108755.6729 299.2924 -142.4689 -108.7314 763220.4515 -7.2316 -7.1574 PRESSURE: 903800 519.592 -126.876 29.7567 -126.876 -127.263 -155.904 29.7561 -155.902 16.8408 GPRESSURE: 903800 574.086 -109.522 25.8366 -76.7633 -109.137 -192.147 38.5942 -75.5516 31.5035 PRESSAVG: 903800 63.8523 -53.6074 -16.8957 -53.6074 -48.9863 -50.7099 -16.8957 -50.7099 -5.62575 GPRESSAVG: 903800 63.4113 -55.8964 -16.836 -52.7715 -49.1227 -48.0361 -19.1491 -52.3653 -5.10213 TIMING: 903800 CPU: 2856.71, 0.00320306/step Wall: 2856.71, 0.00320306/step, 3.64455 hours remaining, 235.761719 MB of memory in use. ENERGY: 903800 4027.8180 20322.3632 14555.5442 256.1796 -203251.4554 2717.8018 0.0000 0.0000 52046.6259 -109325.1227 299.1127 -161371.7486 -108949.8205 299.6891 136.3897 165.4840 761950.3481 3.0801 3.0622 PRESSURE: 904000 -65.8521 15.1485 103.992 15.149 -56.49 -110.642 103.991 -110.641 -193.727 GPRESSURE: 904000 9.42761 176.012 126.601 -12.028 -103.704 -48.7666 -27.6564 -38.3183 -161.601 PRESSAVG: 904000 71.6738 -36.0301 2.14311 -36.03 -50.5321 40.5155 2.14311 40.5156 7.33186 GPRESSAVG: 904000 72.3148 -35.0269 3.18349 -35.4506 -50.1316 39.5029 2.14152 39.8471 6.48383 TIMING: 904000 CPU: 2857.36, 0.00324264/step Wall: 2857.36, 0.00324264/step, 3.6894 hours remaining, 235.761719 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: 904000 3933.4725 20551.7808 14415.8651 247.2846 -203429.0565 2679.1976 0.0000 0.0000 52308.2745 -109293.1815 300.6164 -161601.4559 -108925.3963 299.2422 -105.3564 -85.2926 762653.7428 9.4912 9.5557 PRESSURE: 904200 412.412 211.595 42.0361 211.595 -119.456 -371.771 42.0364 -371.771 289.538 GPRESSURE: 904200 353.188 258.026 -4.21998 120.415 29.2419 -233.401 -106.378 -228.167 302.031 PRESSAVG: 904200 -21.2683 6.55946 -43.1414 6.55949 23.5603 3.32849 -43.1414 3.32843 28.5948 GPRESSAVG: 904200 -21.279 5.62819 -43.5265 7.74141 24.0681 3.46542 -43.8106 7.48928 28.7575 TIMING: 904200 CPU: 2858, 0.00324531/step Wall: 2858, 0.00324531/step, 3.69226 hours remaining, 235.761719 MB of memory in use. ENERGY: 904200 3940.9662 20416.9867 14560.4627 246.7134 -203533.4535 2781.6503 0.0000 0.0000 52313.0647 -109273.6095 300.6439 -161586.6742 -108910.9115 299.3587 194.1648 228.1534 761384.1783 10.2956 10.5155 LDB: ============= START OF LOAD BALANCING ============== 2870.46 LDB: ============== END OF LOAD BALANCING =============== 2870.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2870.47 LDB: ============= START OF LOAD BALANCING ============== 2870.79 LDB: Largest compute 7065 load 0.037344 is 19.1% of average load 0.195126 LDB: Average compute 0.004383 is 2.2% of average load 0.195126 LDB: TIME 2870.79 LOAD: AVG 0.195126 MAX 0.215176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 2870.79 LOAD: AVG 0.195126 MAX 0.215176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: TIME 2870.79 LOAD: AVG 0.195126 MAX 0.215176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: ============== END OF LOAD BALANCING =============== 2870.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2870.8 PRESSURE: 904400 -167.834 -42.6826 -119.612 -42.6828 -80.9371 13.1313 -119.612 13.1315 -603.315 GPRESSURE: 904400 -175.905 -19.7127 -94.2955 73.1616 -66.1172 -16.0005 -159.003 -140.699 -513.237 PRESSAVG: 904400 13.2002 19.107 6.12021 19.107 -3.25968 -13.4934 6.12019 -13.4934 -1.12769 GPRESSAVG: 904400 11.8264 21.5564 6.24986 16.9724 -2.71404 -14.9857 6.14975 -13.9132 -0.0246603 TIMING: 904400 CPU: 2858.66, 0.00328672/step Wall: 2858.66, 0.00328672/step, 3.7392 hours remaining, 238.328125 MB of memory in use. ENERGY: 904400 3946.2370 20481.9725 14436.9300 233.1324 -203160.9033 2620.1205 0.0000 0.0000 52151.4550 -109291.0558 299.7151 -161442.5108 -108919.1880 299.0510 -284.0287 -251.7532 762247.8225 2.9376 3.0292 PRESSURE: 904600 -436.088 -192.791 -7.24005 -192.792 -93.2195 172.781 -7.24048 172.78 -69.4493 GPRESSURE: 904600 -340.85 -185.664 12.6894 -193.058 -75.0786 224.538 62.4465 148.784 -85.9379 PRESSAVG: 904600 -7.90825 -3.16267 -48.066 -3.16264 -24.6835 -22.234 -48.066 -22.234 -14.5688 GPRESSAVG: 904600 -6.1569 -3.95101 -47.9646 -2.93051 -26.2052 -22.7539 -47.407 -24.868 -15.1571 TIMING: 904600 CPU: 2859.3, 0.00321119/step Wall: 2859.3, 0.00321119/step, 3.65309 hours remaining, 238.527344 MB of memory in use. ENERGY: 904600 4000.8895 20504.8604 14545.6054 265.6182 -203099.2501 2339.2097 0.0000 0.0000 52104.1201 -109338.9468 299.4431 -161443.0669 -108973.7651 299.2145 -199.5856 -167.2889 761609.6891 -15.7202 -15.8398 PRESSURE: 904800 -276.322 -47.7602 290.036 -47.7603 -45.3438 56.1836 290.035 56.183 210.476 GPRESSURE: 904800 -231.491 -80.3541 273.345 -91.7938 -44.3045 133.29 195.198 -75.2549 253.153 PRESSAVG: 904800 -2.66276 17.982 25.3735 17.9819 -3.94382 32.9032 25.3735 32.9032 32.1742 GPRESSAVG: 904800 -2.77705 19.6385 25.2354 17.4561 -4.41091 31.9731 24.5786 33.2882 32.5326 TIMING: 904800 CPU: 2859.94, 0.00320258/step Wall: 2859.94, 0.00320258/step, 3.64312 hours remaining, 238.527344 MB of memory in use. ENERGY: 904800 3986.3525 20601.5833 14490.9576 252.4785 -203262.2610 2380.9774 0.0000 0.0000 52253.8015 -109296.1102 300.3033 -161549.9117 -108921.4695 299.6682 -37.0634 -7.5478 762275.8250 8.5226 8.4482 PRESSURE: 905000 -111.947 -4.40474 -6.74848 -4.40491 143.555 -144.624 -6.74866 -144.625 111.685 GPRESSURE: 905000 -3.19892 92.0748 -17.2326 36.3975 40.3047 -132.346 33.1582 -230.065 183.39 PRESSAVG: 905000 20.0303 1.03025 62.4918 1.0302 -23.6707 -29.0367 62.4918 -29.0367 11.7634 GPRESSAVG: 905000 18.6044 -0.543554 61.9409 1.78277 -22.7596 -27.4411 62.7704 -32.1348 11.993 TIMING: 905000 CPU: 2860.58, 0.00317937/step Wall: 2860.58, 0.00317937/step, 3.61653 hours remaining, 238.527344 MB of memory in use. ENERGY: 905000 3865.4894 20559.6649 14557.0344 257.8951 -202983.7257 2342.7784 0.0000 0.0000 51883.1274 -109517.7361 298.1730 -161400.8635 -109150.7519 299.2691 47.7643 73.4986 759130.7076 2.7077 2.6126 PRESSURE: 905200 -36.0156 143.687 291.621 143.688 36.6114 -333.031 291.62 -333.032 447.885 GPRESSURE: 905200 5.29236 120.357 216.081 98.5224 83.2 -329.174 199.726 -285.851 432.372 PRESSAVG: 905200 -46.4709 17.5006 -10.4805 17.5006 46.6551 7.87491 -10.4805 7.8749 -0.648696 GPRESSAVG: 905200 -45.6163 17.8371 -8.93472 18.1074 47.8645 8.78055 -9.80273 8.26249 -2.51361 TIMING: 905200 CPU: 2861.22, 0.00321825/step Wall: 2861.22, 0.00321825/step, 3.66058 hours remaining, 238.593750 MB of memory in use. ENERGY: 905200 3986.9439 20526.1078 14485.3587 251.8788 -203869.2280 2762.3121 0.0000 0.0000 52362.1567 -109494.4699 300.9260 -161856.6266 -109117.9738 299.6417 149.4935 173.6215 759004.5035 -0.1549 -0.0885 PRESSURE: 905400 112.517 -33.6467 -2.45711 -33.6469 -144.033 -94.6791 -2.45595 -94.6793 256.913 GPRESSURE: 905400 135.273 18.168 -34.7012 32.9134 6.65334 -145.199 83.2994 22.916 175.011 PRESSAVG: 905400 56.5625 37.7423 28.1319 37.7424 -11.4694 23.124 28.1319 23.1241 -3.47179 GPRESSAVG: 905400 56.6887 39.134 26.2577 34.6428 -11.2198 21.5629 28.0296 26.4607 -3.46151 TIMING: 905400 CPU: 2861.87, 0.00324039/step Wall: 2861.87, 0.00324039/step, 3.68559 hours remaining, 238.593750 MB of memory in use. ENERGY: 905400 3980.5149 20467.7260 14491.1182 251.8371 -203453.6530 2552.0891 0.0000 0.0000 52261.0117 -109449.3560 300.3448 -161710.3676 -109075.5921 299.7511 75.1325 105.6458 759175.8306 13.8738 14.0025 PRESSURE: 905600 -127.386 115.993 42.265 115.993 -303.702 53.003 42.2652 53.0027 310.286 GPRESSURE: 905600 -39.2891 116.794 159.217 138.262 -245.775 47.9346 55.6626 50.4211 264.249 PRESSAVG: 905600 7.78561 -30.5494 53.9011 -30.5494 -21.5318 -21.962 53.9011 -21.9619 0.469315 GPRESSAVG: 905600 7.3757 -30.94 53.7918 -29.1342 -21.2282 -21.9196 54.512 -24.3032 0.753519 TIMING: 905600 CPU: 2862.52, 0.00324381/step Wall: 2862.52, 0.00324381/step, 3.68929 hours remaining, 238.593750 MB of memory in use. ENERGY: 905600 4012.6750 20663.4697 14425.0784 260.8508 -203724.8592 2627.0908 0.0000 0.0000 52102.5592 -109633.1352 299.4341 -161735.6944 -109279.2469 299.5419 -40.2673 -6.9385 758844.8969 -4.4256 -4.3663 PRESSURE: 905800 -95.5744 -94.9135 -8.07048 -94.9139 -227.334 -24.4286 -8.06935 -24.4281 48.6567 GPRESSURE: 905800 -2.54702 63.5746 64.5051 -102.383 -265.319 -7.39824 -23.2878 -98.5568 42.73 PRESSAVG: 905800 57.8626 69.7455 -5.68481 69.7455 -43.3919 1.14927 -5.68479 1.14922 12.305 GPRESSAVG: 905800 58.2483 69.5507 -3.58595 70.7972 -44.8107 1.71462 -6.40873 -0.0525229 13.3931 TIMING: 905800 CPU: 2863.17, 0.00322893/step Wall: 2863.17, 0.00322893/step, 3.67219 hours remaining, 238.593750 MB of memory in use. ENERGY: 905800 4044.5592 20568.0340 14456.7985 264.8290 -203622.8463 2555.9801 0.0000 0.0000 52087.2704 -109645.3751 299.3463 -161732.6455 -109279.5971 299.1747 -91.4172 -75.0453 760015.4302 8.9252 8.9436 PRESSURE: 906000 233.501 -119.23 149.965 -119.231 -40.9306 8.12317 149.965 8.12163 70.504 GPRESSURE: 906000 161.04 -202.442 154.818 -152.09 65.2525 52.8952 62.0531 20.4818 130.338 PRESSAVG: 906000 63.3726 8.75558 -18.4107 8.75559 -81.8764 3.70586 -18.4107 3.70585 1.07342 GPRESSAVG: 906000 64.0209 8.23831 -18.3843 5.3849 -81.4666 3.5459 -17.8635 5.80285 0.605614 TIMING: 906000 CPU: 2863.81, 0.00323594/step Wall: 2863.81, 0.00323594/step, 3.67998 hours remaining, 238.593750 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: 906000 3999.4551 20462.9276 14518.0167 269.1353 -203434.3269 2556.6010 0.0000 0.0000 52254.7121 -109373.4790 300.3085 -161628.1911 -109013.1000 298.9305 87.6915 118.8769 760577.6085 -5.8101 -5.6134 PRESSURE: 906200 148.824 -86.1023 183.591 -86.1024 -314.844 -24.9713 183.59 -24.9726 192.617 GPRESSURE: 906200 107.323 79.3346 177.349 -139.296 -206.471 -145.856 159.218 149.366 196.142 PRESSAVG: 906200 58.274 33.5594 31.0638 33.5593 -26.7836 11.3566 31.0638 11.3566 2.78307 GPRESSAVG: 906200 57.4843 33.6195 31.7305 37.0647 -26.159 10.8415 30.9152 12.5528 2.9999 TIMING: 906200 CPU: 2864.46, 0.0032062/step Wall: 2864.46, 0.0032062/step, 3.64599 hours remaining, 238.593750 MB of memory in use. ENERGY: 906200 4071.4339 20713.5455 14495.8993 265.0615 -203494.9320 2399.3945 0.0000 0.0000 52124.8217 -109424.7756 299.5621 -161549.5973 -109069.2928 299.8800 8.8657 32.3314 759121.9195 11.4245 11.4417 PRESSURE: 906400 -70.7617 -177.493 -137.911 -177.494 -428.12 91.9596 -137.911 91.9596 157.992 GPRESSURE: 906400 29.7467 -317.564 -113.253 -144.242 -329.389 31.4703 -237.584 36.3112 40.0286 PRESSAVG: 906400 21.3343 9.3777 -38.3252 9.37774 5.52086 18.6135 -38.3252 18.6135 15.0264 GPRESSAVG: 906400 20.683 7.20108 -38.7436 8.89595 6.38417 19.9195 -38.584 15.702 15.2023 TIMING: 906400 CPU: 2865.1, 0.00321357/step Wall: 2865.1, 0.00321357/step, 3.65418 hours remaining, 238.796875 MB of memory in use. ENERGY: 906400 4043.8019 20497.7100 14499.7791 234.6771 -203304.3517 2491.6920 0.0000 0.0000 52134.4519 -109402.2396 299.6174 -161536.6916 -109039.2863 299.4156 -113.6300 -86.5381 759410.9726 13.9605 14.0898 PRESSURE: 906600 463.508 81.7688 126.083 81.7681 -143.349 245.416 126.084 245.416 -176.41 GPRESSURE: 906600 334.559 165.109 95.7065 93.5755 -6.55927 268.786 149.244 228.201 -105.293 PRESSAVG: 906600 81.7453 -18.5347 -19.9661 -18.5348 -107.184 8.70538 -19.9661 8.70542 -9.46264 GPRESSAVG: 906600 82.1206 -17.9161 -20.8891 -17.246 -107.613 8.18106 -19.6273 9.71552 -9.32918 TIMING: 906600 CPU: 2865.74, 0.00323385/step Wall: 2865.74, 0.00323385/step, 3.67707 hours remaining, 238.796875 MB of memory in use. ENERGY: 906600 4001.9505 20556.3835 14491.0774 240.0222 -202937.4067 2081.4926 0.0000 0.0000 52126.4549 -109440.0257 299.5715 -161566.4806 -109083.0215 299.3743 47.9164 74.2358 759409.1540 -11.6338 -11.6073 PRESSURE: 906800 210.091 -10.1535 -69.0935 -10.1547 235.002 -77.5348 -69.0943 -77.5354 395.066 GPRESSURE: 906800 260.809 81.7157 -93.2104 100.027 229.328 -59.5008 15.4548 -44.9995 449.03 PRESSAVG: 906800 3.09608 -43.9382 7.01933 -43.9383 16.6517 16.0791 7.01929 16.079 -8.55635 GPRESSAVG: 906800 3.87219 -42.5535 7.61405 -44.9258 15.6075 16.072 7.42136 16.2084 -8.37737 TIMING: 906800 CPU: 2866.39, 0.00321745/step Wall: 2866.39, 0.00321745/step, 3.65824 hours remaining, 238.796875 MB of memory in use. ENERGY: 906800 4083.5708 20371.2546 14496.9830 243.9506 -203607.0837 2706.5853 0.0000 0.0000 52156.3168 -109548.4225 299.7431 -161704.7392 -109186.7229 299.3942 280.0531 313.0555 758326.0923 3.7305 3.7008 PRESSURE: 907000 70.2143 21.895 -346.275 21.8938 -67.9843 -4.87994 -346.274 -4.87896 106.029 GPRESSURE: 907000 83.2301 64.9444 -243.536 -70.761 -93.6988 -26.0791 -177.293 -2.93842 196.645 PRESSAVG: 907000 11.9889 -44.7357 23.8836 -44.7357 16.0045 -47.3422 23.8835 -47.3422 4.91436 GPRESSAVG: 907000 11.4188 -44.3868 23.1936 -46.6978 16.4793 -47.5068 21.5513 -49.7997 5.17552 TIMING: 907000 CPU: 2867.03, 0.0031968/step Wall: 2867.03, 0.0031968/step, 3.63459 hours remaining, 238.796875 MB of memory in use. ENERGY: 907000 3931.0258 20569.3802 14525.8794 258.3414 -203719.0678 2618.5537 0.0000 0.0000 52220.2653 -109595.6219 300.1106 -161815.8873 -109242.1315 298.8300 36.0864 62.0586 760281.6962 10.9692 11.0246 PRESSURE: 907200 195.501 -0.651689 251.263 -0.651573 -20.529 -170.903 251.264 -170.904 -256.444 GPRESSURE: 907200 242.542 76.5077 200.73 -2.49726 -23.4112 -195.192 167.616 -30.4792 -220.7 PRESSAVG: 907200 35.84 -22.583 -29.4311 -22.583 -24.0586 4.14959 -29.4311 4.14952 3.1606 GPRESSAVG: 907200 36.2629 -22.7169 -28.4806 -19.636 -23.8601 4.26538 -27.0055 6.279 2.52041 TIMING: 907200 CPU: 2867.67, 0.00321814/step Wall: 2867.67, 0.00321814/step, 3.65867 hours remaining, 238.796875 MB of memory in use. ENERGY: 907200 3961.4841 20609.5951 14529.6569 241.2031 -203444.5625 2694.7263 0.0000 0.0000 51909.9009 -109497.9960 298.3269 -161407.8969 -109133.2214 299.3480 -27.1573 -0.5231 759669.6654 4.9807 4.9744 PRESSURE: 907400 4.3541 150.519 83.1269 150.52 -130.769 144.218 83.1271 144.218 -324.913 GPRESSURE: 907400 47.69 46.707 59.0099 171.778 -89.0662 129.984 95.9295 107.62 -311.032 PRESSAVG: 907400 63.0604 32.2574 37.6848 32.2573 -61.9889 0.626585 37.6849 0.626562 4.30908 GPRESSAVG: 907400 63.677 33.2654 35.5682 31.6822 -63.4586 -0.0808776 37.7531 0.339527 5.43146 TIMING: 907400 CPU: 2868.31, 0.00319232/step Wall: 2868.31, 0.00319232/step, 3.62914 hours remaining, 238.796875 MB of memory in use. ENERGY: 907400 3989.6223 20585.0757 14514.1682 240.2603 -203496.3722 2604.6740 0.0000 0.0000 51880.4929 -109682.0788 298.1579 -161562.5716 -109318.6952 299.4129 -150.4425 -117.4694 760984.6814 1.7936 1.8833 PRESSURE: 907600 -16.1622 -30.4553 181.932 -30.4559 -159.435 137.566 181.932 137.566 -150.846 GPRESSURE: 907600 -17.1039 -61.9133 200.682 -43.867 -108.41 51.0597 214.146 166.29 -88.4338 PRESSAVG: 907600 58.4853 15.9063 24.6598 15.9063 -41.6405 18.8128 24.6598 18.8128 -6.66108 GPRESSAVG: 907600 58.0242 14.7123 26.1037 14.4695 -40.6766 18.3315 24.7396 19.5547 -6.52126 TIMING: 907600 CPU: 2868.95, 0.0031993/step Wall: 2868.95, 0.00319931/step, 3.6369 hours remaining, 238.796875 MB of memory in use. ENERGY: 907600 3994.1292 20484.5136 14418.7527 250.4454 -203711.4362 2777.7440 0.0000 0.0000 52056.8975 -109728.9538 299.1717 -161785.8513 -109365.4405 299.1610 -108.8147 -71.3158 761647.7180 3.3946 3.6088 PRESSURE: 907800 -410.041 -150.833 -139.255 -150.833 -525.672 -32.9489 -139.257 -32.9487 -412.932 GPRESSURE: 907800 -351.529 -102.807 -92.2509 67.52 -474.265 -11.7357 -179.89 -47.6334 -439.799 PRESSAVG: 907800 55.498 -33.7595 31.7924 -33.7596 -40.6475 39.9252 31.7924 39.9252 23.083 GPRESSAVG: 907800 55.7819 -35.0566 32.715 -31.4311 -40.0167 40.5935 31.7134 38.2601 21.8122 TIMING: 907800 CPU: 2869.59, 0.00319492/step Wall: 2869.59, 0.00319492/step, 3.63173 hours remaining, 238.796875 MB of memory in use. ENERGY: 907800 3999.7957 20557.9149 14527.1909 239.5808 -203270.0425 2211.1664 0.0000 0.0000 52172.7152 -109561.6786 299.8373 -161734.3938 -109202.8746 299.4039 -449.5482 -421.8647 760277.8348 12.6445 12.5258 PRESSURE: 908000 46.7781 -48.454 59.2582 -48.4534 -62.8254 188.674 59.2575 188.673 -54.9353 GPRESSURE: 908000 -70.6155 -42.5558 95.8712 -13.3844 67.9903 171.359 187.191 217.691 18.6696 PRESSAVG: 908000 33.9693 -61.4462 21.9578 -61.4462 -0.410436 38.9617 21.9579 38.9616 -10.8918 GPRESSAVG: 908000 33.2931 -63.6309 22.2588 -60.8564 -0.931472 37.7945 20.048 39.4583 -9.42889 TIMING: 908000 CPU: 2870.23, 0.00319567/step Wall: 2870.23, 0.00319567/step, 3.63241 hours remaining, 238.796875 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: 908000 4010.5412 20487.0988 14455.9546 244.6886 -203408.2979 2662.3826 0.0000 0.0000 51989.5240 -109558.1082 298.7845 -161547.6322 -109199.1833 299.2790 -23.6609 5.3481 760015.7126 7.5557 7.6443 PRESSURE: 908200 111.127 140.734 -114.283 140.733 74.0553 17.849 -114.283 17.849 453.733 GPRESSURE: 908200 87.2382 153.925 -177.31 114.56 186.518 51.7817 7.11921 101.11 423.642 PRESSAVG: 908200 28.6525 -44.9463 5.09746 -44.9463 -11.4055 27.4795 5.09741 27.4795 6.40681 GPRESSAVG: 908200 30.9693 -44.0588 3.95843 -45.6937 -10.9071 27.7611 7.31074 28.6376 4.25038 TIMING: 908200 CPU: 2870.87, 0.0032014/step Wall: 2870.87, 0.0032014/step, 3.63875 hours remaining, 238.796875 MB of memory in use. ENERGY: 908200 3983.5720 20466.1893 14568.3383 257.5916 -203789.4727 2909.1553 0.0000 0.0000 52182.7527 -109421.8736 299.8950 -161604.6263 -109060.5480 299.1867 212.9716 232.4660 758879.6261 7.8846 8.1042 LDB: ============= START OF LOAD BALANCING ============== 2883.33 LDB: ============== END OF LOAD BALANCING =============== 2883.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2883.33 LDB: ============= START OF LOAD BALANCING ============== 2883.65 LDB: Largest compute 7065 load 0.035473 is 18.2% of average load 0.194993 LDB: Average compute 0.004393 is 2.3% of average load 0.194993 LDB: TIME 2883.66 LOAD: AVG 0.194993 MAX 0.211241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.125 MB LDB: TIME 2883.66 LOAD: AVG 0.194993 MAX 0.211241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.195 MB LDB: TIME 2883.66 LOAD: AVG 0.194993 MAX 0.211241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.195 MB LDB: ============== END OF LOAD BALANCING =============== 2883.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2883.66 PRESSURE: 908400 86.8916 -174.216 46.713 -174.216 -229.971 28.6161 46.7127 28.6148 67.6599 GPRESSURE: 908400 140.82 -186.595 74.6839 -229.68 -170.895 59.3584 -113.057 -43.0314 36.6387 PRESSAVG: 908400 41.7462 -34.9426 -2.54571 -34.9426 -55.5567 5.18309 -2.54573 5.18307 -13.1058 GPRESSAVG: 908400 39.7536 -35.0446 -2.2784 -35.8236 -56.1566 4.40965 -4.02047 6.67902 -11.0247 TIMING: 908400 CPU: 2871.53, 0.00330371/step Wall: 2871.53, 0.00330371/step, 3.75485 hours remaining, 237.222656 MB of memory in use. ENERGY: 908400 4017.4985 20573.3507 14427.3819 238.8993 -203570.2609 2514.9867 0.0000 0.0000 52255.9717 -109542.1720 300.3158 -161798.1437 -109173.7809 299.6154 -25.1397 2.1880 759046.0054 -8.9721 -9.1426 PRESSURE: 908600 -20.2932 -8.56525 155.363 -8.56377 -20.4518 -219.182 155.362 -219.182 -319.218 GPRESSURE: 908600 2.90241 -29.6494 185.215 36.7912 -50.1262 -265.264 102.838 -164.364 -241.776 PRESSAVG: 908600 29.7231 15.3502 -8.39947 15.3503 -43.9486 -12.6366 -8.39951 -12.6366 2.36708 GPRESSAVG: 908600 30.0484 14.5231 -8.56948 16.5244 -44.2336 -10.8777 -7.43164 -16.3359 2.5434 TIMING: 908600 CPU: 2872.18, 0.00323412/step Wall: 2872.18, 0.00323412/step, 3.67557 hours remaining, 237.292969 MB of memory in use. ENERGY: 908600 4040.9372 20597.3113 14504.9846 272.0952 -203176.9972 2334.7989 0.0000 0.0000 52131.0563 -109295.8136 299.5979 -161426.8699 -108937.9102 299.9065 -119.9876 -96.3332 759380.2915 -3.9528 -3.8806 PRESSURE: 908800 -92.5495 -13.1507 -282.636 -13.1496 396.204 9.51488 -282.636 9.51388 -246.097 GPRESSURE: 908800 2.25005 1.10796 -310.26 16.6919 342.861 23.6281 -143.499 -30.4212 -209.382 PRESSAVG: 908800 11.9819 12.7645 41.2617 12.7646 22.7476 -32.6916 41.2618 -32.6917 3.08005 GPRESSAVG: 908800 12.888 14.7595 42.3554 11.5544 23.4492 -33.6787 40.7999 -31.8238 1.79391 TIMING: 908800 CPU: 2872.83, 0.00326037/step Wall: 2872.83, 0.00326037/step, 3.70523 hours remaining, 237.292969 MB of memory in use. ENERGY: 908800 3980.7536 20624.6233 14493.7856 258.9266 -203194.5451 2422.6984 0.0000 0.0000 52092.3785 -109321.3792 299.3756 -161413.7576 -108965.8961 299.9134 19.1858 45.2431 758962.0345 12.6032 12.7104 PRESSURE: 909000 78.591 147.606 -35.6811 147.606 129.48 4.62367 -35.6824 4.62419 61.1524 GPRESSURE: 909000 83.7124 188.324 -33.5699 61.1268 168.325 -93.4166 -69.9585 50.368 101.257 PRESSAVG: 909000 13.6106 14.4031 14.0868 14.4031 26.3383 -7.23656 14.0868 -7.23658 0.8905 GPRESSAVG: 909000 12.6788 13.6828 14.2237 14.2918 25.5179 -7.13131 13.4687 -6.6428 2.69112 TIMING: 909000 CPU: 2873.47, 0.0032264/step Wall: 2873.47, 0.0032264/step, 3.66644 hours remaining, 237.292969 MB of memory in use. ENERGY: 909000 4069.2484 20696.1094 14458.8989 242.7633 -203432.6670 2494.0528 0.0000 0.0000 52193.4725 -109278.1217 299.9566 -161471.5943 -108910.3983 299.8861 89.7410 117.7648 758674.7615 13.6131 13.6293 PRESSURE: 909200 -207.422 75.948 -90.2147 75.9484 34.3187 23.1949 -90.2152 23.1953 160.556 GPRESSURE: 909200 -203.799 79.267 -87.5848 -6.93532 31.0508 -6.02782 32.4884 32.0885 216.603 PRESSAVG: 909200 30.6831 -21.6046 -13.7668 -21.6045 -46.0902 -12.9926 -13.7668 -12.9926 11.1023 GPRESSAVG: 909200 32.0176 -20.8529 -15.6214 -20.1852 -46.386 -13.8256 -11.4717 -13.2976 9.7873 TIMING: 909200 CPU: 2874.11, 0.00318951/step Wall: 2874.11, 0.00318951/step, 3.62435 hours remaining, 237.292969 MB of memory in use. ENERGY: 909200 4060.5513 20719.7019 14532.9404 253.1000 -202957.3879 2054.0229 0.0000 0.0000 52191.7613 -109145.3101 299.9468 -161337.0714 -108783.6278 299.9244 -4.1823 14.6184 760016.7559 -1.4350 -1.5270 PRESSURE: 909400 314.004 272.938 205.39 272.937 -116.278 -20.103 205.391 -20.1032 157.632 GPRESSURE: 909400 392.013 206.661 203.64 208.793 -119.304 -73.7413 128.646 -30.5528 190.274 PRESSAVG: 909400 52.27 46.651 16.1868 46.651 -65.1011 -12.8323 16.1868 -12.8323 -5.99838 GPRESSAVG: 909400 52.0948 45.7042 15.5765 46.7494 -64.2133 -12.5747 14.2725 -10.9362 -6.40131 TIMING: 909400 CPU: 2874.74, 0.00316206/step Wall: 2874.74, 0.00316206/step, 3.59298 hours remaining, 237.292969 MB of memory in use. ENERGY: 909400 3995.3047 20510.1807 14509.2632 238.6266 -203567.8897 2677.8209 0.0000 0.0000 52392.0017 -109244.6921 301.0976 -161636.6937 -108881.3662 299.9961 118.4527 154.3275 759587.2894 -6.2765 -6.1733 PRESSURE: 909600 -20.1092 83.5983 -51.4551 83.598 -222.372 -20.0998 -51.455 -20.0999 -74.1082 GPRESSURE: 909600 -53.9748 149.597 -57.1792 185.636 -149.271 -16.2413 -67.0393 -80.9104 -17.7708 PRESSAVG: 909600 -20.0501 37.8324 11.8598 37.8324 -12.2504 -13.2763 11.8597 -13.2765 -4.64641 GPRESSAVG: 909600 -20.49 38.8337 13.3988 36.7847 -11.4063 -12.2957 14.1456 -14.7164 -4.51414 TIMING: 909600 CPU: 2875.38, 0.0031873/step Wall: 2875.38, 0.0031873/step, 3.62148 hours remaining, 237.292969 MB of memory in use. ENERGY: 909600 4006.8261 20463.0741 14517.0945 247.5530 -203028.0446 2306.0350 0.0000 0.0000 52211.9011 -109275.5609 300.0625 -161487.4620 -108892.5889 300.4213 -105.5297 -73.6721 760413.1227 -12.3156 -12.1368 PRESSURE: 909800 228.503 118.605 -173.342 118.606 -58.4124 81.6071 -173.343 81.6072 -159.581 GPRESSURE: 909800 238.738 109.232 -177.103 12.0754 -81.6345 -12.2144 -204.646 43.0273 -74.5389 PRESSAVG: 909800 -23.8639 -15.3126 -45.1504 -15.3126 -39.7235 -23.8872 -45.1504 -23.8871 -0.716835 GPRESSAVG: 909800 -23.7826 -14.9704 -44.7523 -16.2521 -40.3244 -23.4228 -46.0058 -25.6494 -0.907857 TIMING: 909800 CPU: 2876.02, 0.00319888/step Wall: 2876.02, 0.00319888/step, 3.63446 hours remaining, 237.292969 MB of memory in use. ENERGY: 909800 3942.8233 20533.9774 14512.8718 259.6790 -203123.1528 2496.5799 0.0000 0.0000 52114.9784 -109262.2429 299.5055 -161377.2213 -108905.7916 300.1226 3.5031 27.5216 761485.0295 -21.4348 -21.6716 PRESSURE: 910000 -79.3233 -52.8761 23.8604 -52.8768 -307.499 -303.182 23.86 -303.181 -108.537 GPRESSURE: 910000 -128.984 -38.42 102.693 -105.514 -201.794 -221.581 -82.9166 -106.033 -101.982 PRESSAVG: 910000 60.2185 25.6341 34.4909 25.634 -41.7445 -20.8514 34.4909 -20.8513 5.07887 GPRESSAVG: 910000 60.3313 26.0149 32.0089 26.0768 -42.1058 -22.1869 35.128 -15.8688 5.20067 TIMING: 910000 CPU: 2876.66, 0.00320912/step Wall: 2876.66, 0.00320912/step, 3.64592 hours remaining, 237.292969 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: 910000 4039.6706 20746.7861 14485.6858 268.9849 -203175.1718 2403.5391 0.0000 0.0000 52073.5293 -109156.9760 299.2673 -161230.5054 -108809.0665 300.3447 -165.1198 -144.2535 760486.9193 7.8510 7.8087 PRESSURE: 910200 378.649 -31.1567 25.2505 -31.1562 -112.639 129.188 25.2511 129.187 255.726 GPRESSURE: 910200 375.429 -42.7786 55.7109 -78.8985 -15.9882 175.441 -14.5167 -67.672 243.557 PRESSAVG: 910200 27.063 -13.7461 23.2656 -13.7461 -63.115 26.7038 23.2657 26.7039 27.8243 GPRESSAVG: 910200 26.1799 -16.8436 25.5754 -10.8584 -61.8207 27.3669 22.5922 23.4761 27.0512 TIMING: 910200 CPU: 2877.31, 0.00323416/step Wall: 2877.31, 0.00323416/step, 3.67418 hours remaining, 237.292969 MB of memory in use. ENERGY: 910200 4055.3777 20467.5666 14440.9690 229.3208 -203170.6519 2504.4165 0.0000 0.0000 52312.9175 -109160.0839 300.6431 -161473.0013 -108790.4639 300.3572 173.9122 200.9991 760257.5503 -2.7426 -2.8632 PRESSURE: 910400 90.2301 179.544 340.943 179.544 -128.867 -74.9769 340.943 -74.9764 -311.99 GPRESSURE: 910400 57.5241 185.565 307.708 119.987 -48.1858 19.8918 287.656 -80.0205 -279.544 PRESSAVG: 910400 61.4393 -6.96431 2.0339 -6.96439 -34.2648 18.8925 2.03382 18.8925 -13.2119 GPRESSAVG: 910400 61.3224 -4.3405 1.24539 -10.5022 -33.7925 18.5889 1.41592 18.8133 -13.551 TIMING: 910400 CPU: 2877.95, 0.00322736/step Wall: 2877.95, 0.00322736/step, 3.66628 hours remaining, 237.292969 MB of memory in use. ENERGY: 910400 4038.6827 20602.6591 14445.8073 252.0591 -203502.5451 2527.0825 0.0000 0.0000 52133.0924 -109503.1619 299.6096 -161636.2542 -109144.0847 299.7427 -116.8757 -90.0686 759844.5228 4.6542 4.6596 PRESSURE: 910600 5.12119 -262.052 -77.7095 -262.053 -213.277 16.3761 -77.7089 16.3757 -292.082 GPRESSURE: 910600 -6.49434 -20.9367 -43.5929 -140.169 -143.495 61.7246 -76.3194 -13.8485 -257.165 PRESSAVG: 910600 -14.5745 52.4757 -13.1427 52.4757 -25.2993 -32.0918 -13.1428 -32.0919 30.2825 GPRESSAVG: 910600 -13.496 50.8242 -12.8295 54.2949 -26.7722 -32.387 -10.9613 -32.7412 30.5851 TIMING: 910600 CPU: 2878.6, 0.0032089/step Wall: 2878.6, 0.0032089/step, 3.64513 hours remaining, 237.292969 MB of memory in use. ENERGY: 910600 3976.2077 20411.0306 14425.5298 257.3396 -203095.0248 2484.3117 0.0000 0.0000 52144.8381 -109395.7673 299.6771 -161540.6054 -109022.0268 299.9729 -166.7458 -135.7181 760896.4361 -3.1971 -3.2277 PRESSURE: 910800 -125.434 -21.4802 41.3488 -21.4804 -385.689 17.5944 41.3497 17.5937 55.4832 GPRESSURE: 910800 -242.942 -44.2969 101.674 -3.77482 -148.942 -17.562 72.5184 116.284 32.5477 PRESSAVG: 910800 4.79006 -7.2718 5.91102 -7.27184 -2.86742 -35.0041 5.91107 -35.0042 15.8708 GPRESSAVG: 910800 5.09811 -6.59947 6.92022 -6.11191 -2.33678 -35.434 4.46509 -32.1911 15.4246 TIMING: 910800 CPU: 2879.24, 0.0032242/step Wall: 2879.24, 0.0032242/step, 3.66233 hours remaining, 237.292969 MB of memory in use. ENERGY: 910800 3918.5211 20636.7496 14552.5492 267.7107 -203009.5500 2285.4600 0.0000 0.0000 51920.4134 -109428.1459 298.3873 -161348.5593 -109072.5370 299.4391 -151.8799 -119.7788 762337.5953 5.9312 6.0620 PRESSURE: 911000 167.429 31.5802 -114.099 31.5792 34.6273 -97.3949 -114.098 -97.396 37.3327 GPRESSURE: 911000 188.698 -12.6093 -74.778 0.651154 165.546 -155.763 -191.138 -114.712 -27.1092 PRESSAVG: 911000 78.3039 41.5881 0.889532 41.5881 -18.5927 13.656 0.889502 13.656 -2.46986 GPRESSAVG: 911000 77.5469 42.4876 -1.24472 40.237 -18.6577 14.104 0.840368 12.1099 -1.88163 TIMING: 911000 CPU: 2879.89, 0.00322752/step Wall: 2879.89, 0.00322753/step, 3.66593 hours remaining, 237.292969 MB of memory in use. ENERGY: 911000 3960.5577 20546.0489 14452.2938 236.8912 -203617.1011 2702.7758 0.0000 0.0000 52246.4939 -109472.0397 300.2613 -161718.5336 -109106.9280 299.8771 79.7965 109.0451 760180.3472 19.0804 19.0025 PRESSURE: 911200 -349.489 133.885 34.403 133.884 -220.476 -177.955 34.403 -177.954 -352.525 GPRESSURE: 911200 -265.492 201.599 -80.1965 91.7474 -197.358 -104.859 -72.7095 -273.519 -382.486 PRESSAVG: 911200 34.7215 2.95329 19.6001 2.95322 -1.51903 -2.66104 19.6001 -2.66099 25.6653 GPRESSAVG: 911200 34.0117 2.82729 19.638 3.72539 -1.77152 -2.3806 19.8901 -2.53177 26.315 TIMING: 911200 CPU: 2880.53, 0.00322933/step Wall: 2880.53, 0.00322933/step, 3.6678 hours remaining, 237.292969 MB of memory in use. ENERGY: 911200 4040.4523 20426.5041 14554.6648 254.7279 -203198.7782 2249.9072 0.0000 0.0000 52346.7545 -109325.7673 300.8375 -161672.5219 -108972.9636 299.6623 -307.4971 -281.7789 761137.6315 19.6226 19.5184 PRESSURE: 911400 -52.7596 115.803 18.0667 115.802 -253.041 254.184 18.0669 254.185 30.5098 GPRESSURE: 911400 -13.063 247.027 15.3347 103.746 -201.161 303.208 82.3789 83.6579 18.2442 PRESSAVG: 911400 -31.3414 58.0539 13.7453 58.054 -37.4746 -7.93514 13.7454 -7.93515 -15.0358 GPRESSAVG: 911400 -30.3887 57.2237 15.0616 58.5737 -37.8847 -7.48884 13.1185 -7.84322 -15.9106 TIMING: 911400 CPU: 2881.18, 0.00323787/step Wall: 2881.18, 0.00323787/step, 3.67732 hours remaining, 237.292969 MB of memory in use. ENERGY: 911400 4059.4547 20490.2284 14502.0605 266.8441 -203293.4259 2490.7533 0.0000 0.0000 52282.5031 -109201.5819 300.4683 -161484.0850 -108845.8187 299.6649 -91.7637 -65.3266 760304.7904 -27.9506 -28.0613 PRESSURE: 911600 105.561 215.894 -20.5985 215.894 111.317 66.4195 -20.5985 66.4202 -4.70455 GPRESSURE: 911600 212.864 256.226 -85.6168 148.777 18.4997 11.0161 77.2562 76.193 65.3869 PRESSAVG: 911600 37.169 60.235 19.1313 60.235 -42.2603 4.7632 19.1313 4.76319 -18.381 GPRESSAVG: 911600 38.6328 59.7912 19.562 58.0429 -44.0073 6.34454 19.0591 4.65406 -17.8039 TIMING: 911600 CPU: 2881.82, 0.00319675/step Wall: 2881.82, 0.00319675/step, 3.63045 hours remaining, 237.292969 MB of memory in use. ENERGY: 911600 3989.6276 20492.9373 14516.7243 236.1335 -203148.2951 2330.4154 0.0000 0.0000 52197.1521 -109385.3048 299.9778 -161582.4569 -109013.2973 299.7731 70.7246 98.9167 761308.8967 -7.8241 -7.7261 PRESSURE: 911800 14.3363 -207.817 -46.8802 -207.817 -514.565 -59.0897 -46.8811 -59.0899 21.0232 GPRESSURE: 911800 -20.0012 -157.264 -155.5 -60.7624 -402.143 -88.353 -188.749 41.2035 27.8245 PRESSAVG: 911800 9.64792 -31.516 27.4479 -31.516 -37.9354 -5.8659 27.4479 -5.86591 5.29428 GPRESSAVG: 911800 7.83056 -31.668 25.8838 -28.7449 -35.3579 -9.4399 26.8159 -2.00683 4.28939 TIMING: 911800 CPU: 2882.46, 0.00321134/step Wall: 2882.46, 0.00321134/step, 3.64684 hours remaining, 237.292969 MB of memory in use. ENERGY: 911800 3981.6479 20569.5880 14480.6227 257.7428 -203522.7443 2544.3650 0.0000 0.0000 52263.3388 -109425.4392 300.3581 -161688.7780 -109064.1824 299.5993 -159.7351 -131.4400 761123.5642 -7.6644 -7.7460 PRESSURE: 912000 217.042 -38.9085 77.4003 -38.9082 214.739 -3.96524 77.3999 -3.96592 340.35 GPRESSURE: 912000 151.024 -100.784 -4.48348 -113.755 207.276 -63.2073 79.6913 -89.1715 492.556 PRESSAVG: 912000 -4.30018 -37.4782 7.23102 -37.4782 -9.84176 -30.3548 7.23101 -30.3548 5.29519 GPRESSAVG: 912000 -4.74952 -35.8897 8.43604 -38.8294 -10.0079 -27.9851 7.77351 -33.0119 5.7592 TIMING: 912000 CPU: 2883.11, 0.00321671/step Wall: 2883.11, 0.00321671/step, 3.65276 hours remaining, 237.292969 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: 912000 4046.8131 20379.4207 14532.0751 224.1555 -203633.8863 2827.3215 0.0000 0.0000 52266.3184 -109357.7820 300.3752 -161624.1004 -108997.8549 299.6086 257.3769 283.6185 760094.5315 -2.9489 -2.9994 PRESSURE: 912200 -147.336 -8.99649 15.43 -8.99691 -69.8043 191.078 15.4299 191.078 65.6473 GPRESSURE: 912200 -7.99323 -60.4261 -31.7769 -19.2465 -70.9687 107.142 -117.861 134.644 10.6565 PRESSAVG: 912200 75.6845 -11.988 19.1066 -11.988 -49.114 -25.565 19.1067 -25.5649 -24.2926 GPRESSAVG: 912200 75.825 -13.8979 19.0374 -13.5239 -48.4849 -26.8336 17.1617 -25.4692 -24.635 TIMING: 912200 CPU: 2883.74, 0.00318561/step Wall: 2883.74, 0.00318561/step, 3.61727 hours remaining, 237.292969 MB of memory in use. ENERGY: 912200 4016.1556 20609.5684 14460.8964 247.6941 -203373.6702 2532.6644 0.0000 0.0000 52258.4380 -109248.2532 300.3300 -161506.6912 -108883.3291 299.3916 -50.4976 -22.7685 761949.4995 0.7593 0.9017 LDB: ============= START OF LOAD BALANCING ============== 2896.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2896.2 LDB: =============== DONE WITH MIGRATION ================ 2896.2 LDB: ============= START OF LOAD BALANCING ============== 2896.52 LDB: Largest compute 7034 load 0.036251 is 18.6% of average load 0.194983 LDB: Average compute 0.004385 is 2.2% of average load 0.194983 LDB: TIME 2896.52 LOAD: AVG 0.194983 MAX 0.212956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.82 MB LDB: TIME 2896.53 LOAD: AVG 0.194983 MAX 0.212956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: TIME 2896.53 LOAD: AVG 0.194983 MAX 0.212956 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: ============== END OF LOAD BALANCING =============== 2896.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2896.53 PRESSURE: 912400 23.8362 -196.248 306.097 -196.248 304.536 -64.2947 306.097 -64.2939 160.944 GPRESSURE: 912400 27.9113 -174.632 232.104 -65.2699 377.467 -56.3033 346.198 -99.3355 163.252 PRESSAVG: 912400 43.575 14.4992 63.1913 14.4992 -16.5376 -37.8594 63.1913 -37.8594 14.9414 GPRESSAVG: 912400 44.9947 15.7657 62.7152 17.867 -18.7739 -36.0984 65.4992 -39.5831 15.2086 TIMING: 912400 CPU: 2884.4, 0.00326889/step Wall: 2884.4, 0.00326889/step, 3.71164 hours remaining, 235.820312 MB of memory in use. ENERGY: 912400 3920.6851 20596.1391 14489.8073 253.5727 -203477.2312 2812.4985 0.0000 0.0000 52037.6229 -109366.9055 299.0609 -161404.5284 -108997.3496 299.5617 163.1053 189.5435 762475.6261 13.9929 13.8098 PRESSURE: 912600 8.84602 4.49982 -2.43096 4.49958 -241.11 10.5807 -2.43227 10.5803 -401.267 GPRESSURE: 912600 122.718 32.2243 -6.96028 -104.321 -222.512 21.743 48.3299 -36.5177 -441.194 PRESSAVG: 912600 29.2763 -2.81319 53.2054 -2.81315 -8.13875 -93.1272 53.2053 -93.1272 -24.8145 GPRESSAVG: 912600 28.3467 -2.6096 54.7462 -6.32365 -7.3032 -94.1337 54.6947 -93.5299 -25.069 TIMING: 912600 CPU: 2885.03, 0.00319492/step Wall: 2885.03, 0.00319492/step, 3.62748 hours remaining, 236.023438 MB of memory in use. ENERGY: 912600 4032.7917 20529.1059 14486.5099 254.4846 -203218.4100 2478.8556 0.0000 0.0000 52095.3434 -109341.3188 299.3927 -161436.6622 -108979.2666 299.2998 -211.1772 -180.3295 763413.2710 -1.2257 -1.3418 PRESSURE: 912800 -237.578 144.652 -75.3092 144.652 -16.808 81.1521 -75.309 81.1515 -83.6703 GPRESSURE: 912800 -158.704 148.142 -147.993 90.8788 -11.0879 37.2557 -64.9646 93.1269 -94.5553 PRESSAVG: 912800 -24.6109 -26.506 5.06466 -26.506 -11.701 -61.86 5.06467 -61.86 -12.0351 GPRESSAVG: 912800 -25.1749 -27.4095 3.48026 -25.1092 -12.2513 -62.8454 3.16149 -59.8619 -11.0607 TIMING: 912800 CPU: 2885.68, 0.00320726/step Wall: 2885.68, 0.00320726/step, 3.64131 hours remaining, 236.023438 MB of memory in use. ENERGY: 912800 4081.8168 20525.9187 14467.4953 235.1916 -203372.0834 2559.1290 0.0000 0.0000 51933.5613 -109568.9707 298.4629 -161502.5320 -109210.9463 299.2115 -112.6854 -88.1156 761408.5066 -16.1157 -16.1623 PRESSURE: 913000 565.552 -77.9478 -52.1289 -77.948 360.043 -44.8038 -52.1295 -44.8036 174.494 GPRESSURE: 913000 667.659 -39.7451 -76.3894 -87.1135 303.355 -40.0859 -94.3247 -51.1064 217.685 PRESSAVG: 913000 36.0519 -16.9289 -2.05139 -16.9289 -30.5569 -13.7712 -2.05135 -13.7712 -9.27269 GPRESSAVG: 913000 35.6834 -16.4213 -2.15949 -13.7439 -29.2218 -11.9838 -1.23341 -13.2511 -9.7143 TIMING: 913000 CPU: 2886.32, 0.00323581/step Wall: 2886.32, 0.00323581/step, 3.67354 hours remaining, 236.023438 MB of memory in use. ENERGY: 913000 3900.8214 20584.4369 14516.5070 242.1547 -203570.7535 2827.2920 0.0000 0.0000 51950.9818 -109548.5598 298.5630 -161499.5415 -109185.6688 299.1726 366.6964 396.2329 760798.4372 -1.2592 -1.0842 PRESSURE: 913200 297.786 23.745 -9.28878 23.7453 266.459 -21.8806 -9.28832 -21.8801 -48.0773 GPRESSURE: 913200 358.025 -49.5508 7.72058 82.3446 196.522 -89.3937 39.3718 97.0586 38.4593 PRESSAVG: 913200 54.8009 -26.9947 5.48092 -26.9947 -11.8571 -36.4658 5.48099 -36.4658 -23.1387 GPRESSAVG: 913200 54.5555 -27.747 5.78758 -27.1246 -12.1465 -38.0948 5.08703 -37.0382 -22.6107 TIMING: 913200 CPU: 2886.97, 0.00323117/step Wall: 2886.97, 0.00323117/step, 3.66809 hours remaining, 236.023438 MB of memory in use. ENERGY: 913200 3984.0926 20355.7795 14498.9775 266.0458 -203443.8173 2620.6276 0.0000 0.0000 52259.6708 -109458.6235 300.3370 -161718.2943 -109088.3567 299.4384 172.0559 197.6687 761001.3024 6.6017 6.5994 PRESSURE: 913400 28.9154 -77.046 -75.0813 -77.046 151.956 138.109 -75.0813 138.109 -74.2989 GPRESSURE: 913400 47.8917 -79.4722 -73.4421 -74.9183 161.787 159.943 65.6973 48.9154 -3.72438 PRESSAVG: 913400 35.8238 6.69645 36.4626 6.69642 -60.3161 -9.77028 36.4626 -9.77022 16.9918 GPRESSAVG: 913400 37.5206 6.79151 36.9 6.58646 -61.8685 -7.88103 38.9034 -10.796 17.1979 TIMING: 913400 CPU: 2887.61, 0.00321515/step Wall: 2887.61, 0.00321515/step, 3.64973 hours remaining, 236.023438 MB of memory in use. ENERGY: 913400 3948.0750 20446.8454 14491.1588 234.3564 -203506.8246 2777.8621 0.0000 0.0000 52145.7945 -109462.7324 299.6826 -161608.5269 -109104.1886 299.2349 35.5240 68.6513 762141.4830 -2.5001 -2.3833 PRESSURE: 913600 -26.4322 23.0381 -15.3881 23.0382 31.5842 -177.15 -15.3879 -177.15 640.717 GPRESSURE: 913600 76.495 -56.0203 -43.2713 -54.8196 156.718 -160.309 -139.619 -81.8544 498.999 PRESSAVG: 913600 50.6358 5.17346 -34.4578 5.17343 -50.1333 -41.807 -34.4577 -41.807 -12.8783 GPRESSAVG: 913600 49.9246 5.7148 -35.8847 2.67085 -49.4117 -41.7191 -36.7976 -41.8066 -13.3814 TIMING: 913600 CPU: 2888.25, 0.00318891/step Wall: 2888.25, 0.00318891/step, 3.61976 hours remaining, 236.023438 MB of memory in use. ENERGY: 913600 3992.3216 20600.4810 14424.6975 246.6417 -203499.3930 2704.2527 0.0000 0.0000 51969.1859 -109561.8127 298.6676 -161530.9986 -109202.3671 299.0627 215.2895 244.0707 760891.1736 -4.1253 -4.2895 PRESSURE: 913800 103.111 -24.1289 -7.43188 -24.1293 106.428 -13.7727 -7.43212 -13.7719 -46.9432 GPRESSURE: 913800 72.8715 -36.0192 -5.10587 21.3483 201.699 23.5545 -51.0345 -55.2583 -49.7979 PRESSAVG: 913800 8.45366 7.69642 26.2517 7.69643 -15.0796 21.3492 26.2516 21.3493 -29.3108 GPRESSAVG: 913800 7.61063 7.35055 26.3938 8.32229 -14.8966 20.4342 26.1483 24.184 -28.3158 TIMING: 913800 CPU: 2888.89, 0.00320874/step Wall: 2888.89, 0.00320874/step, 3.6421 hours remaining, 236.023438 MB of memory in use. ENERGY: 913800 4016.0103 20675.2410 14463.3866 253.4254 -203196.4380 2591.4338 0.0000 0.0000 52043.2111 -109153.7298 299.0930 -161196.9409 -108785.4104 299.1395 54.1986 74.9241 761801.8411 -11.9789 -11.8672 PRESSURE: 914000 70.5446 -129.786 -225.922 -129.786 -177.708 -141.345 -225.923 -141.346 -76.698 GPRESSURE: 914000 115.716 7.94867 -160.444 -83.7152 -108.795 -133.983 -140.762 -77.4451 -106.875 PRESSAVG: 914000 82.8529 6.23926 39.2765 6.23929 -54.5363 -34.5603 39.2765 -34.5602 20.0877 GPRESSAVG: 914000 83.1124 7.3245 38.8583 7.55965 -54.4827 -34.9547 40.0217 -35.1868 19.8298 TIMING: 914000 CPU: 2889.54, 0.00321755/step Wall: 2889.54, 0.00321755/step, 3.65191 hours remaining, 236.023438 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: 914000 3961.9657 20585.8013 14511.3100 265.0646 -203497.1307 2851.8869 0.0000 0.0000 52034.9297 -109286.1725 299.0455 -161321.1022 -108926.9591 299.4176 -61.2871 -33.3179 760531.3440 16.1348 16.1532 PRESSURE: 914200 -104.813 36.4276 -141.648 36.4281 -70.514 -114.849 -141.647 -114.85 211.21 GPRESSURE: 914200 -32.5941 91.7959 -157.535 79.6165 -25.6757 -77.2452 -156.96 -119.008 180.2 PRESSAVG: 914200 52.0249 10.2923 4.54104 10.2924 -78.3858 11.4721 4.54103 11.472 -13.8646 GPRESSAVG: 914200 51.6867 10.5647 6.66296 8.93001 -78.124 13.025 3.75276 11.5488 -13.881 TIMING: 914200 CPU: 2890.18, 0.00321096/step Wall: 2890.18, 0.00321096/step, 3.64426 hours remaining, 236.023438 MB of memory in use. ENERGY: 914200 3993.4924 20527.2492 14436.6608 275.0603 -202911.0639 2373.2946 0.0000 0.0000 51918.7248 -109386.5818 298.3776 -161305.3066 -109020.8080 299.0815 11.9609 40.6433 763083.1050 -13.4085 -13.4394 PRESSURE: 914400 126.326 135.48 -98.4222 135.481 -215.179 -184.598 -98.4224 -184.598 -253.278 GPRESSURE: 914400 180.515 121.765 -101.427 71.4939 -210.127 -234.763 -268.18 -199.432 -217.632 PRESSAVG: 914400 49.3567 -15.7685 -9.99344 -15.7685 -33.3207 -2.12095 -9.99347 -2.12094 23.3527 GPRESSAVG: 914400 50.0296 -15.4264 -10.2373 -14.2524 -33.5066 -3.65752 -8.50906 -2.79542 22.8568 TIMING: 914400 CPU: 2890.82, 0.00318974/step Wall: 2890.82, 0.00318974/step, 3.62 hours remaining, 236.023438 MB of memory in use. ENERGY: 914400 3894.2872 20478.2527 14500.6503 245.8801 -202989.6496 2306.2148 0.0000 0.0000 52015.0801 -109549.2844 298.9314 -161564.3644 -109185.9084 299.2018 -114.0438 -82.4149 763011.4157 13.1296 13.1266 PRESSURE: 914600 113.385 -102.225 -31.9068 -102.226 -149.788 288.875 -31.906 288.875 -174.26 GPRESSURE: 914600 148.709 -234.422 -22.3061 41.8283 -84.3662 308.632 -47.75 226.374 -180.865 PRESSAVG: 914600 18.9646 -10.8734 -38.8656 -10.8734 15.6599 -24.8264 -38.8656 -24.8263 -19.93 GPRESSAVG: 914600 18.9841 -12.0123 -41.1923 -10.4004 15.1655 -25.0129 -39.8046 -24.8461 -20.1057 TIMING: 914600 CPU: 2891.45, 0.00319508/step Wall: 2891.45, 0.00319508/step, 3.62589 hours remaining, 236.023438 MB of memory in use. ENERGY: 914600 4003.0476 20428.0339 14486.8000 248.7082 -203717.4680 2653.1595 0.0000 0.0000 52218.9181 -109678.8006 300.1028 -161897.7187 -109309.4391 298.7717 -70.2212 -38.8407 761572.5986 4.8981 4.6813 PRESSURE: 914800 154.089 65.6126 122.314 65.6125 -217.492 123.639 122.314 123.639 -505.389 GPRESSURE: 914800 85.9301 21.2618 179.011 39.2351 -114.105 -5.01581 114.471 138.886 -438.664 PRESSAVG: 914800 -40.4281 4.37979 -3.38759 4.37984 45.2732 -4.0033 -3.38756 -4.00335 -3.47169 GPRESSAVG: 914800 -40.1064 3.55585 -0.55245 2.51738 44.5919 -3.78381 -4.74617 -4.32995 -2.96252 TIMING: 914800 CPU: 2892.09, 0.00319596/step Wall: 2892.09, 0.00319596/step, 3.62671 hours remaining, 236.023438 MB of memory in use. ENERGY: 914800 4056.1320 20451.2257 14521.2452 243.2679 -203406.5065 2543.1960 0.0000 0.0000 51674.9353 -109916.5044 296.9766 -161591.4397 -109552.8491 298.0929 -189.5975 -155.6131 761605.8551 0.4578 0.5077 PRESSURE: 915000 8.55216 3.34629 62.4531 3.34572 -58.38 -16.9872 62.4536 -16.9872 -152.436 GPRESSURE: 915000 31.4467 -3.0062 90.8958 15.4464 -31.041 -31.565 33.4065 -119.567 -88.6252 PRESSAVG: 915000 46.1835 -50.8148 20.379 -50.8148 -27.8581 25.9616 20.379 25.9615 -3.23348 GPRESSAVG: 915000 47.5513 -49.2532 20.7092 -50.8662 -27.9501 24.2893 22.0951 24.9535 -3.78003 TIMING: 915000 CPU: 2892.74, 0.003216/step Wall: 2892.74, 0.003216/step, 3.64927 hours remaining, 236.023438 MB of memory in use. ENERGY: 915000 3973.9189 20321.2861 14479.7968 260.7141 -203036.4285 2261.4308 0.0000 0.0000 51938.5225 -109800.7593 298.4914 -161739.2818 -109432.0134 298.2268 -67.4212 -29.4065 761194.8951 5.0306 5.2737 PRESSURE: 915200 -85.3253 -248.75 99.4327 -248.749 -258.082 40.8255 99.4321 40.8257 -84.1321 GPRESSURE: 915200 -40.5034 -265.37 78.2626 -281.69 -205.42 1.199 118.301 4.23979 -101.036 PRESSAVG: 915200 -13.8237 -24.4083 5.35481 -24.4082 25.3073 -39.3402 5.35487 -39.3402 0.369789 GPRESSAVG: 915200 -14.0641 -23.1798 3.0278 -23.8765 25.9992 -37.9223 4.67675 -37.9524 0.304489 TIMING: 915200 CPU: 2893.38, 0.00322209/step Wall: 2893.38, 0.00322209/step, 3.656 hours remaining, 236.023438 MB of memory in use. ENERGY: 915200 3882.5193 20520.0230 14400.7574 248.1155 -203245.3806 2500.7029 0.0000 0.0000 51969.1969 -109724.0656 298.6677 -161693.2625 -109366.0351 298.5297 -142.5131 -115.6533 761220.0523 3.9511 4.0798 PRESSURE: 915400 -9.20276 -86.8333 49.5581 -86.8337 -246.445 -82.9625 49.5584 -82.9626 140.113 GPRESSURE: 915400 50.7143 -62.7669 80.5697 -64.224 -232.443 -163.646 129.381 -132.786 145.76 PRESSAVG: 915400 -4.35987 -78.1546 24.8642 -78.1545 -5.13384 -58.1482 24.8642 -58.1482 18.7536 GPRESSAVG: 915400 -5.23186 -78.5517 26.3296 -77.6653 -4.89281 -59.4389 26.7899 -57.2714 19.2111 TIMING: 915400 CPU: 2894.03, 0.00321939/step Wall: 2894.03, 0.00321939/step, 3.65276 hours remaining, 236.023438 MB of memory in use. ENERGY: 915400 4000.7321 20506.6864 14369.1517 249.2722 -203605.6504 2700.7742 0.0000 0.0000 51922.2584 -109856.7754 298.3979 -161779.0338 -109500.8617 298.7845 -38.5115 -11.9897 764113.5413 3.0866 3.0288 PRESSURE: 915600 -241.483 -185.047 -141.71 -185.047 -366.531 -0.809149 -141.709 -0.809574 -14.5875 GPRESSURE: 915600 -188.676 -253.621 -149.119 -195.62 -361.785 34.2094 -246.222 -61.5408 9.74959 PRESSAVG: 915600 42.1982 -23.2939 41.1603 -23.2939 -69.9145 -30.6712 41.1603 -30.6711 18.9625 GPRESSAVG: 915600 41.7751 -24.1701 42.0881 -23.5155 -69.5651 -29.826 39.5057 -32.9882 18.3864 TIMING: 915600 CPU: 2894.66, 0.00318149/step Wall: 2894.66, 0.00318149/step, 3.60958 hours remaining, 236.023438 MB of memory in use. ENERGY: 915600 4004.3308 20493.7729 14459.0962 246.1480 -203705.6420 2527.6173 0.0000 0.0000 52319.5172 -109655.1596 300.6810 -161974.6768 -109298.0888 298.6954 -207.5338 -180.2372 762978.4461 -2.9179 -3.1345 PRESSURE: 915800 236.02 -271.522 -96.1883 -271.523 235.52 -57.9978 -96.1884 -57.998 -124.982 GPRESSURE: 915800 236.836 -143.442 -15.6071 -287.483 248.886 -13.3998 -47.4445 -56.4437 -68.4759 PRESSAVG: 915800 -1.36601 -30.9926 -42.0586 -30.9926 -9.17009 -0.235027 -42.0586 -0.234984 -14.8492 GPRESSAVG: 915800 -0.275707 -32.2154 -42.7951 -28.0707 -10.1825 0.416271 -41.2004 -1.57656 -14.5457 TIMING: 915800 CPU: 2895.31, 0.00323147/step Wall: 2895.31, 0.00323147/step, 3.66611 hours remaining, 236.023438 MB of memory in use. ENERGY: 915800 4036.3672 20456.2538 14461.7798 250.7235 -204069.4267 3073.6656 0.0000 0.0000 52185.1096 -109605.5273 299.9085 -161790.6369 -109240.5728 299.2465 115.5191 139.0820 760194.8390 -8.4618 -8.3346 PRESSURE: 916000 61.4476 141.079 -97.5943 141.078 175.716 -76.2576 -97.594 -76.2578 4.03175 GPRESSURE: 916000 85.6442 37.2162 -145.725 206.357 230.046 -107.709 -202.623 91.8403 -3.12556 PRESSAVG: 916000 -13.4069 -42.6399 8.52948 -42.6399 16.5498 -4.88332 8.52953 -4.88339 -9.38436 GPRESSAVG: 916000 -14.483 -40.9743 6.87964 -45.2201 16.7214 -5.43511 8.17079 -1.14411 -8.74048 TIMING: 916000 CPU: 2895.95, 0.00321643/step Wall: 2895.95, 0.00321643/step, 3.64886 hours remaining, 236.023438 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: 916000 3996.6867 20529.4049 14430.3232 235.6177 -203709.5333 2803.0503 0.0000 0.0000 52059.8494 -109654.6011 299.1887 -161714.4505 -109290.3003 299.0549 80.3983 104.1882 761930.3748 -2.0805 -2.1674 PRESSURE: 916200 -52.7161 -93.4104 64.0776 -93.4105 217.847 -111.204 64.0776 -111.204 354.264 GPRESSURE: 916200 3.82565 -31.8757 38.7306 -57.4447 217.623 -58.7941 104.569 -9.44493 392.891 PRESSAVG: 916200 -59.6142 -35.7789 6.52205 -35.7789 25.1883 -44.0034 6.52207 -44.0035 35.9205 GPRESSAVG: 916200 -58.8205 -37.0454 8.75966 -32.6975 25.3796 -43.0686 3.21865 -45.0394 35.2715 TIMING: 916200 CPU: 2896.59, 0.00321283/step Wall: 2896.59, 0.00321283/step, 3.64459 hours remaining, 236.023438 MB of memory in use. ENERGY: 916200 3918.0009 20601.3652 14428.7906 230.9924 -203607.8323 2532.4237 0.0000 0.0000 51989.2164 -109907.0431 298.7827 -161896.2595 -109549.9582 298.4220 173.1315 204.7800 761288.6623 0.4982 0.6102 LDB: ============= START OF LOAD BALANCING ============== 2909.05 LDB: ============== END OF LOAD BALANCING =============== 2909.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2909.05 LDB: ============= START OF LOAD BALANCING ============== 2909.37 LDB: Largest compute 7034 load 0.035480 is 18.2% of average load 0.195126 LDB: Average compute 0.004394 is 2.3% of average load 0.195126 LDB: TIME 2909.37 LOAD: AVG 0.195126 MAX 0.216505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.102 MB LDB: TIME 2909.37 LOAD: AVG 0.195126 MAX 0.216505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.176 MB LDB: TIME 2909.37 LOAD: AVG 0.195126 MAX 0.216505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.176 MB LDB: ============== END OF LOAD BALANCING =============== 2909.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2909.38 PRESSURE: 916400 631.84 -24.1103 -129.384 -24.1102 443.118 140.869 -129.383 140.87 388.054 GPRESSURE: 916400 583.164 -170.936 -94.8697 -127.571 510.803 65.7348 -58.9447 125.786 435.429 PRESSAVG: 916400 -24.4732 -38.5854 -13.624 -38.5854 -21.8852 -26.6369 -13.624 -26.6369 3.84104 GPRESSAVG: 916400 -24.0221 -38.7336 -12.2386 -40.7884 -22.6016 -26.4078 -12.6789 -27.4332 4.34107 TIMING: 916400 CPU: 2897.24, 0.003253/step Wall: 2897.24, 0.003253/step, 3.68998 hours remaining, 237.160156 MB of memory in use. ENERGY: 916400 3959.8176 20311.2008 14426.3935 252.8094 -203795.5422 2699.9213 0.0000 0.0000 52337.4237 -109807.9758 300.7839 -162145.3995 -109432.1430 298.8607 487.6704 509.7985 759648.4008 -14.1724 -14.0942 PRESSURE: 916600 25.8284 145.543 152.503 145.542 -190.833 -88.88 152.503 -88.8799 -77.269 GPRESSURE: 916600 29.2509 220.012 101.843 62.1178 -132.24 -56.1324 188.617 -115.302 -52.4137 PRESSAVG: 916600 -10.63 10.1026 17.4762 10.1025 -2.47616 21.3423 17.4762 21.3423 5.36984 GPRESSAVG: 916600 -12.047 13.1702 16.3687 10.0616 -1.37298 19.7999 18.223 23.1174 5.62276 TIMING: 916600 CPU: 2897.88, 0.00319809/step Wall: 2897.88, 0.00319809/step, 3.62752 hours remaining, 237.375000 MB of memory in use. ENERGY: 916600 3957.2861 20459.7059 14430.4342 264.9166 -203560.8194 2470.9217 0.0000 0.0000 52320.6795 -109656.8755 300.6877 -161977.5550 -109274.0378 299.1923 -80.7579 -51.8008 760813.2595 -2.5788 -2.5991 PRESSURE: 916800 -143.366 -237.259 201.804 -237.259 15.9933 93.4566 201.805 93.4552 270.393 GPRESSURE: 916800 -119.735 -169.294 246.713 -229.833 -10.6354 119.924 164.727 13.821 345.456 PRESSAVG: 916800 31.0782 28.2735 5.57932 28.2735 -16.1753 -43.3963 5.57944 -43.3964 5.12047 GPRESSAVG: 916800 31.9502 25.5479 3.87756 29.3361 -16.888 -43.1268 6.61999 -43.6111 5.0925 TIMING: 916800 CPU: 2898.52, 0.00319771/step Wall: 2898.52, 0.00319771/step, 3.62692 hours remaining, 237.375000 MB of memory in use. ENERGY: 916800 3963.1591 20580.5548 14432.2517 243.2705 -203511.9126 2540.4077 0.0000 0.0000 52156.1552 -109596.1136 299.7421 -161752.2688 -109244.1196 299.3756 47.6737 71.6951 761230.4484 6.6745 6.7182 PRESSURE: 917000 -41.5467 -16.0158 -7.68924 -16.017 -36.0259 -76.5196 -7.68845 -76.5196 209.445 GPRESSURE: 917000 57.3957 -6.00504 -44.9757 90.8549 -62.6401 -156.509 96.1477 -153.514 220.473 PRESSAVG: 917000 -30.8521 0.516747 -2.93143 0.516762 25.1937 2.11888 -2.9315 2.11887 16.6091 GPRESSAVG: 917000 -29.0441 2.2036 -3.01447 -0.068982 24.5841 2.33888 -2.17765 -0.0148914 15.6258 TIMING: 917000 CPU: 2899.16, 0.00319906/step Wall: 2899.16, 0.00319906/step, 3.62827 hours remaining, 237.375000 MB of memory in use. ENERGY: 917000 3962.0544 20647.7702 14446.4937 260.4193 -203727.8942 2749.2558 0.0000 0.0000 52149.7443 -109512.1564 299.7053 -161661.9007 -109145.2206 299.6920 43.9574 71.7428 760609.9426 3.6503 3.7219 PRESSURE: 917200 -336.391 -115.811 150.241 -115.811 -80.0039 -89.002 150.24 -89.0027 185.074 GPRESSURE: 917200 -306.681 -113.131 117.283 -187.255 -34.6202 -81.0039 80.2283 -78.6709 188.801 PRESSAVG: 917200 -3.75835 -18.637 10.0267 -18.637 4.51831 -42.2974 10.0267 -42.2974 -21.3566 GPRESSAVG: 917200 -5.67285 -19.3117 10.632 -20.2601 5.46327 -42.6044 8.13328 -40.5068 -20.5797 TIMING: 917200 CPU: 2899.8, 0.00317867/step Wall: 2899.8, 0.00317867/step, 3.60497 hours remaining, 237.375000 MB of memory in use. ENERGY: 917200 4002.7197 20576.7585 14428.4398 240.9342 -203869.9680 2783.7408 0.0000 0.0000 52298.8992 -109538.4757 300.5625 -161837.3749 -109173.1887 299.3416 -77.1069 -50.8334 760116.9011 -6.8655 -6.9298 PRESSURE: 917400 -249.53 80.913 -40.2431 80.913 -43.3502 -63.2293 -40.2434 -63.2292 -232.478 GPRESSURE: 917400 -196.859 -67.9524 91.7949 110.878 -75.8532 -34.1092 9.0535 -61.2753 -180.995 PRESSAVG: 917400 58.2106 22.4128 -36.8056 22.4128 -5.94515 52.2221 -36.8056 52.2222 0.321975 GPRESSAVG: 917400 57.9949 21.3448 -36.053 22.5111 -6.39181 52.8846 -36.9953 51.6359 0.359964 TIMING: 917400 CPU: 2900.44, 0.00319211/step Wall: 2900.44, 0.00319211/step, 3.62002 hours remaining, 237.375000 MB of memory in use. ENERGY: 917400 3902.0646 20660.2473 14395.9372 251.7143 -203164.7340 2434.9703 0.0000 0.0000 51823.2627 -109696.5376 297.8290 -161519.8003 -109338.2615 299.4286 -175.1192 -151.2359 761055.4310 17.5291 17.3210 PRESSURE: 917600 -402.784 -54.4557 160.029 -54.4555 -236.598 156.573 160.029 156.572 -40.2805 GPRESSURE: 917600 -385.221 -35.6394 137.53 -36.4136 -178.262 109.525 83.5864 119.749 -25.1529 PRESSAVG: 917600 27.1746 -14.6646 -1.2256 -14.6646 -21.0351 -20.6308 -1.22558 -20.6308 -9.98368 GPRESSAVG: 917600 26.8245 -14.1493 -1.00243 -12.5794 -20.9983 -21.1756 -0.541293 -19.5652 -9.66663 TIMING: 917600 CPU: 2901.08, 0.00319401/step Wall: 2901.08, 0.00319401/step, 3.62201 hours remaining, 237.375000 MB of memory in use. ENERGY: 917600 3996.1145 20687.6197 14404.1297 246.5370 -203707.9504 2585.9509 0.0000 0.0000 52106.3165 -109681.2821 299.4557 -161787.5986 -109310.3282 299.2371 -226.5541 -196.2119 760742.4340 -1.2814 -1.2802 PRESSURE: 917800 -287.16 141.658 -78.139 141.659 -127.297 91.5971 -78.1392 91.5973 -720.682 GPRESSURE: 917800 -344.929 114.251 -54.4928 -8.0831 -149.099 87.4858 -127.993 90.1794 -564.627 PRESSAVG: 917800 11.6122 -54.7492 32.2687 -54.7492 -0.181116 -47.6459 32.2687 -47.6459 2.18028 GPRESSAVG: 917800 11.3904 -52.84 31.0583 -56.3868 0.434802 -46.5608 34.1118 -50.0403 1.75493 TIMING: 917800 CPU: 2901.72, 0.00320507/step Wall: 2901.72, 0.00320507/step, 3.63437 hours remaining, 237.375000 MB of memory in use. ENERGY: 917800 4033.6984 20546.8762 14486.8138 256.9876 -203673.2480 2592.7894 0.0000 0.0000 51908.9525 -109847.1301 298.3215 -161756.0826 -109485.0569 298.4526 -378.3796 -352.8846 761733.5254 4.5371 4.5267 PRESSURE: 918000 -28.0523 -124.805 248.483 -124.805 -122.767 -64.4037 248.485 -64.4037 -148.628 GPRESSURE: 918000 87.3836 -115.287 369.333 -133.183 -54.6815 -126.976 170.094 164.664 -259.489 PRESSAVG: 918000 5.67493 -27.7618 34.6968 -27.7617 10.3304 -0.460854 34.6969 -0.46083 -10.0502 GPRESSAVG: 918000 6.00578 -29.7475 33.7967 -26.5803 10.0817 -0.559313 34.8355 0.529684 -10.4844 TIMING: 918000 CPU: 2902.36, 0.00319509/step Wall: 2902.36, 0.00319509/step, 3.62288 hours remaining, 237.375000 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: 918000 4030.4646 20606.7619 14461.5657 240.6704 -203557.8936 2386.0178 0.0000 0.0000 52164.5375 -109667.8758 299.7903 -161832.4132 -109300.3908 299.1314 -99.8158 -75.5955 760607.8401 1.9850 1.8677 PRESSURE: 918200 -104.492 195.054 -114.141 195.054 -431.482 190.737 -114.142 190.738 -109.632 GPRESSURE: 918200 -88.9912 190.535 -107.324 202.749 -403.885 175.783 -207.62 238.35 -58.5731 PRESSAVG: 918200 19.6458 5.28679 -5.46243 5.28677 14.4394 19.0783 -5.46247 19.0784 7.29836 GPRESSAVG: 918200 21.1072 6.78088 -3.19351 4.16894 12.5048 16.9891 -6.86163 21.1011 7.88276 TIMING: 918200 CPU: 2903.01, 0.0032489/step Wall: 2903.01, 0.0032489/step, 3.68372 hours remaining, 237.375000 MB of memory in use. ENERGY: 918200 3935.7358 20674.7766 14456.4650 263.2622 -203500.4482 2510.3857 0.0000 0.0000 51953.7696 -109706.0533 298.5790 -161659.8228 -109353.5715 299.3143 -215.2021 -183.8163 758861.8051 13.7945 13.8316 PRESSURE: 918400 270.2 -52.3039 -91.0003 -52.304 138.661 25.2666 -91.0001 25.2674 5.53298 GPRESSURE: 918400 280.351 -6.22803 -106.688 47.0172 200.268 24.064 -6.78231 -16.2904 14.8117 PRESSAVG: 918400 -32.7651 12.5581 -63.3745 12.5581 65.6485 8.28526 -63.3745 8.28531 -0.233144 GPRESSAVG: 918400 -34.7954 11.6124 -63.8638 12.9029 68.1153 10.3452 -63.1528 5.96496 -0.958519 TIMING: 918400 CPU: 2903.65, 0.0032077/step Wall: 2903.65, 0.0032077/step, 3.63682 hours remaining, 237.375000 MB of memory in use. ENERGY: 918400 3922.6879 20492.5601 14520.3029 236.7606 -203385.9233 2419.9624 0.0000 0.0000 52078.1031 -109715.5463 299.2936 -161793.6494 -109347.1545 299.0683 138.1314 165.1436 761774.8260 10.8834 10.7871 PRESSURE: 918600 -10.2725 19.5504 -123.428 19.5497 -68.1546 45.6007 -123.429 45.6019 248.34 GPRESSURE: 918600 6.85369 23.7875 -88.8116 56.7701 -34.4789 112.28 -146.716 162.785 285.506 PRESSAVG: 918600 5.69852 11.0443 -7.72723 11.0443 -18.5081 -1.64823 -7.72721 -1.64829 -13.8719 GPRESSAVG: 918600 5.12326 12.2329 -7.48803 11.4952 -18.5539 -2.91199 -7.35164 0.254673 -13.9931 TIMING: 918600 CPU: 2904.29, 0.00321011/step Wall: 2904.29, 0.00321011/step, 3.63937 hours remaining, 237.375000 MB of memory in use. ENERGY: 918600 3931.2649 20535.2994 14469.4711 245.5125 -203219.5316 2516.7891 0.0000 0.0000 52100.3308 -109420.8638 299.4213 -161521.1945 -109059.2024 299.1763 56.6375 85.9603 761152.0449 -8.8938 -9.1412 PRESSURE: 918800 50.4297 -211.961 -40.332 -211.961 257.065 -182.14 -40.3314 -182.141 75.3738 GPRESSURE: 918800 124.364 -244.426 19.3266 -195.317 211.834 -209.526 -103.936 -164.329 119.358 PRESSAVG: 918800 -27.5851 -38.2189 -14.0879 -38.2189 1.71512 -10.4159 -14.088 -10.4159 -20.0882 GPRESSAVG: 918800 -27.1031 -38.27 -14.3961 -39.3336 1.48656 -8.99854 -13.2689 -13.4318 -19.904 TIMING: 918800 CPU: 2904.94, 0.00324512/step Wall: 2904.94, 0.00324512/step, 3.67888 hours remaining, 237.375000 MB of memory in use. ENERGY: 918800 3967.0281 20496.5105 14460.1984 253.4321 -203473.4571 2702.0883 0.0000 0.0000 52144.3741 -109449.8257 299.6744 -161594.1998 -109087.6078 299.3281 127.6229 151.8518 760435.1083 -15.3194 -15.1735 PRESSURE: 919000 -240.226 -80.7504 -290.507 -80.751 -94.3147 -58.5586 -290.508 -58.5587 319.046 GPRESSURE: 919000 -71.0757 -67.1728 -253.275 -94.0017 -145.65 -126.743 -179.77 34.2532 287.411 PRESSAVG: 919000 18.0092 -29.8595 21.8466 -29.8595 -36.5299 -14.3717 21.8465 -14.3717 11.6617 GPRESSAVG: 919000 19.7984 -29.7691 22.2862 -29.465 -38.4399 -15.7625 19.9206 -12.3666 11.335 TIMING: 919000 CPU: 2905.58, 0.0032162/step Wall: 2905.58, 0.0032162/step, 3.64592 hours remaining, 237.375000 MB of memory in use. ENERGY: 919000 3925.5221 20664.8181 14412.3360 248.8047 -203109.3509 2300.8353 0.0000 0.0000 52287.9993 -109269.0355 300.4999 -161557.0348 -108912.5838 299.5823 -5.1649 23.5618 760460.5841 -2.2863 -2.4355 PRESSURE: 919200 -52.7183 -154.343 56.0319 -154.344 -116.912 111.256 56.0308 111.255 -192.84 GPRESSURE: 919200 -76.6793 -128.267 40.1424 -93.2332 0.94024 105.545 -23.4776 -43.8704 -192.937 PRESSAVG: 919200 30.5053 5.76648 -27.7779 5.76649 -23.9284 -35.9652 -27.7779 -35.9651 7.77805 GPRESSAVG: 919200 28.4423 5.21281 -27.2515 5.58914 -22.8605 -35.742 -27.2164 -36.0519 9.13835 TIMING: 919200 CPU: 2906.22, 0.00319272/step Wall: 2906.22, 0.00319272/step, 3.61913 hours remaining, 237.375000 MB of memory in use. ENERGY: 919200 4052.2508 20475.4421 14444.6231 249.3075 -203088.0335 2197.5203 0.0000 0.0000 52293.1853 -109375.7043 300.5297 -161668.8896 -109003.2150 299.9763 -120.8236 -89.5588 760469.8752 4.7850 4.9067 PRESSURE: 919400 -345.614 271.281 193.561 271.281 -463.245 -123.16 193.561 -123.16 399.333 GPRESSURE: 919400 -259.398 244.35 94.7379 208.057 -416.597 -49.1133 272.588 -91.9937 375.809 PRESSAVG: 919400 -72.5434 -15.7944 3.57761 -15.7944 13.5006 2.59415 3.57763 2.5942 7.07805 GPRESSAVG: 919400 -72.2554 -17.5802 3.38564 -16.5338 14.4727 1.84858 5.0395 2.99825 5.50772 TIMING: 919400 CPU: 2906.86, 0.00319441/step Wall: 2906.86, 0.00319441/step, 3.62087 hours remaining, 237.375000 MB of memory in use. ENERGY: 919400 3951.3040 20465.5533 14441.4219 240.5981 -203287.0588 2439.1179 0.0000 0.0000 52188.1077 -109560.9558 299.9258 -161749.0635 -109190.1844 299.0809 -136.5086 -100.0621 760176.8653 -17.3216 -17.4250 PRESSURE: 919600 -357.031 -45.9527 44.5059 -45.9529 66.932 21.547 44.5058 21.5473 -27.0613 GPRESSURE: 919600 -210.616 96.3395 129.26 27.0516 -36.6221 22.5019 23.3947 10.3661 26.4773 PRESSAVG: 919600 21.9291 16.9121 38.4986 16.9121 -3.21423 -32.5872 38.4986 -32.5871 15.4998 GPRESSAVG: 919600 21.0693 19.6723 38.8599 17.368 -3.96571 -30.1518 37.7994 -31.6114 17.0047 TIMING: 919600 CPU: 2907.5, 0.00318939/step Wall: 2907.5, 0.00318939/step, 3.615 hours remaining, 237.375000 MB of memory in use. ENERGY: 919600 3996.3712 20437.7878 14456.7980 253.6346 -203011.1685 2277.9629 0.0000 0.0000 52204.7686 -109383.8453 300.0215 -161588.6139 -109021.9556 299.4619 -105.7202 -73.5869 762409.5879 11.4049 11.3694 PRESSURE: 919800 -30.1794 157.251 393.831 157.251 -127.4 -76.7686 393.832 -76.769 38.3201 GPRESSURE: 919800 -17.7212 129.471 304.847 193.484 -45.3896 -58.6938 330.349 -139.696 28.4362 PRESSAVG: 919800 -34.2491 -20.0564 -47.6197 -20.0564 57.504 -8.41193 -47.6196 -8.41197 -18.9602 GPRESSAVG: 919800 -33.2848 -19.1521 -47.8166 -22.9992 57.6967 -10.1012 -50.1941 -9.29982 -20.115 TIMING: 919800 CPU: 2908.14, 0.00320304/step Wall: 2908.14, 0.00320304/step, 3.63029 hours remaining, 237.375000 MB of memory in use. ENERGY: 919800 3976.1159 20402.2630 14436.9370 259.1471 -203345.3098 2573.1660 0.0000 0.0000 52237.8275 -109459.8534 300.2115 -161697.6808 -109096.0327 299.1371 -39.7531 -11.5582 760903.4778 1.4316 1.4323 PRESSURE: 920000 -203.202 52.7089 -95.5022 52.7088 183.783 -36.3622 -95.5022 -36.3626 185.865 GPRESSURE: 920000 -148.072 65.0163 -123.453 70.2078 242.854 7.31523 -55.6338 -111.435 155.634 PRESSAVG: 920000 -22.2913 -4.51065 -17.8073 -4.51071 14.8311 -3.81024 -17.8073 -3.81021 4.81836 GPRESSAVG: 920000 -23.2603 -5.74584 -21.1146 -0.233337 14.5442 -2.72211 -13.4719 -3.00924 5.44742 TIMING: 920000 CPU: 2908.78, 0.00322322/step Wall: 2908.78, 0.00322322/step, 3.65298 hours remaining, 237.375000 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: 920000 3990.3576 20502.3602 14456.8163 229.9846 -203346.9844 2699.5206 0.0000 0.0000 51896.5313 -109571.4139 298.2501 -161467.9451 -109208.8936 299.6583 55.4822 83.4722 761173.6136 -0.8806 -1.0896 PRESSURE: 920200 429.263 -41.4504 47.8881 -41.4503 260.091 57.3912 47.8889 57.3919 -156.199 GPRESSURE: 920200 370.039 19.4497 13.268 -93.9489 309.061 56.3867 -61.4501 -78.3105 -55.9674 PRESSAVG: 920200 21.5312 20.1604 -25.4417 20.1603 7.31682 1.80968 -25.4417 1.80972 -2.65655 GPRESSAVG: 920200 21.7592 21.2166 -22.0442 18.727 7.64377 0.269676 -28.8734 1.1013 -2.67401 TIMING: 920200 CPU: 2909.43, 0.00321235/step Wall: 2909.43, 0.00321235/step, 3.64049 hours remaining, 237.375000 MB of memory in use. ENERGY: 920200 3894.8416 20319.4394 14404.3584 252.6836 -203262.3634 2761.5123 0.0000 0.0000 52096.0462 -109533.4818 299.3967 -161629.5280 -109164.9989 299.0210 177.7183 207.7108 761479.3904 8.7305 8.9096 LDB: ============= START OF LOAD BALANCING ============== 2921.88 LDB: ============== END OF LOAD BALANCING =============== 2921.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2921.89 LDB: ============= START OF LOAD BALANCING ============== 2922.21 LDB: Largest compute 7070 load 0.035814 is 18.4% of average load 0.195087 LDB: Average compute 0.004385 is 2.2% of average load 0.195087 LDB: TIME 2922.21 LOAD: AVG 0.195087 MAX 0.217393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.59 MB LDB: TIME 2922.21 LOAD: AVG 0.195087 MAX 0.217393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: TIME 2922.21 LOAD: AVG 0.195087 MAX 0.217393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: ============== END OF LOAD BALANCING =============== 2922.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2922.22 PRESSURE: 920400 37.2665 -147.019 -174.42 -147.019 -51.3673 -68.3147 -174.42 -68.3141 155.617 GPRESSURE: 920400 34.6433 -131.013 -173.359 -173.235 15.2738 -104.793 -82.4812 -24.0303 189.053 PRESSAVG: 920400 -8.95864 -13.1957 -33.8385 -13.1956 6.00647 53.0966 -33.8385 53.0967 19.9434 GPRESSAVG: 920400 -8.35308 -15.0384 -34.5713 -11.6534 6.00122 53.9334 -32.5692 52.8009 19.185 TIMING: 920400 CPU: 2910.08, 0.00328665/step Wall: 2910.08, 0.00328665/step, 3.72451 hours remaining, 236.902344 MB of memory in use. ENERGY: 920400 3948.4150 20408.7601 14460.9550 234.3849 -203638.4573 2896.4003 0.0000 0.0000 52248.9779 -109440.5641 300.2756 -161689.5420 -109080.7846 299.6772 47.1720 79.6568 759911.8565 5.6638 5.6110 PRESSURE: 920600 -188.316 -92.2577 -60.4135 -92.2574 -430.718 -167.082 -60.4137 -167.083 -64.0986 GPRESSURE: 920600 -96.4438 -102.457 -102.458 -109.701 -448.695 -81.4477 -105.063 -54.3053 -69.1509 PRESSAVG: 920600 29.6954 -29.6564 7.0574 -29.6564 -46.6388 -31.0991 7.05735 -31.0991 -3.4675 GPRESSAVG: 920600 29.1091 -28.8871 6.89788 -29.3365 -47.2449 -31.3395 8.23558 -28.73 -3.30306 TIMING: 920600 CPU: 2910.72, 0.00320769/step Wall: 2910.72, 0.00320769/step, 3.63485 hours remaining, 237.304688 MB of memory in use. ENERGY: 920600 3995.6243 20558.6110 14434.0734 252.0380 -202977.3070 2377.1840 0.0000 0.0000 51901.9641 -109457.8122 298.2813 -161359.7763 -109096.0575 299.5173 -227.7108 -204.7632 761071.1023 -6.8036 -7.1463 PRESSURE: 920800 104.126 19.3267 -17.5478 19.3272 73.6392 156.652 -17.5478 156.653 -36.87 GPRESSURE: 920800 26.2348 18.4697 -6.76277 6.45103 172.257 104.447 11.7653 67.3917 52.4073 PRESSAVG: 920800 64.1051 29.5536 -13.1552 29.5536 -28.7165 -0.61342 -13.1553 -0.613434 -9.93279 GPRESSAVG: 920800 63.079 29.8458 -13.241 28.7703 -27.5069 0.143091 -14.7663 -1.43511 -9.66053 TIMING: 920800 CPU: 2911.37, 0.0032435/step Wall: 2911.37, 0.0032435/step, 3.67525 hours remaining, 237.304688 MB of memory in use. ENERGY: 920800 3924.4179 20452.5294 14424.8415 266.7264 -203568.1110 2798.3658 0.0000 0.0000 52151.9577 -109549.2722 299.7180 -161701.2299 -109176.7261 299.6993 46.9652 83.6330 762166.7843 8.4853 8.6372 PRESSURE: 921000 126.012 -25.9153 -48.6842 -25.9148 360.733 280.609 -48.6837 280.611 -8.82497 GPRESSURE: 921000 207.387 -114.973 -100.351 21.8364 403.175 236.414 7.89149 235.204 -44.3938 PRESSAVG: 921000 19.0196 32.2461 -5.6361 32.2461 -17.462 19.2164 -5.63605 19.2164 -12.6306 GPRESSAVG: 921000 19.3082 31.0566 -4.56406 33.3032 -17.6362 18.5124 -4.94186 18.9288 -12.6142 TIMING: 921000 CPU: 2912.02, 0.00322041/step Wall: 2912.02, 0.00322041/step, 3.6489 hours remaining, 237.304688 MB of memory in use. ENERGY: 921000 4025.4321 20545.0209 14362.4149 250.9848 -203678.0502 2901.0922 0.0000 0.0000 52012.7599 -109580.3454 298.9180 -161593.1053 -109223.6286 298.7433 159.3067 188.7229 761099.7032 -3.6910 -3.6474 PRESSURE: 921200 242.774 -3.32694 -188.683 -3.32561 -110.108 -242.873 -188.682 -242.874 123.766 GPRESSURE: 921200 280.194 61.7671 -183.716 69.1023 -86.6835 -197.837 -157.659 -186.307 115.321 PRESSAVG: 921200 -15.3399 -61.0859 -34.4715 -61.0859 -9.97268 9.18191 -34.4715 9.18194 6.02409 GPRESSAVG: 921200 -14.4958 -58.7555 -35.1113 -64.0941 -11.3847 8.18008 -34.6847 10.9758 5.92365 TIMING: 921200 CPU: 2912.66, 0.00320082/step Wall: 2912.66, 0.00320082/step, 3.62653 hours remaining, 237.304688 MB of memory in use. ENERGY: 921200 3996.5945 20536.6910 14397.3088 257.5139 -203600.8385 2772.2998 0.0000 0.0000 52077.5085 -109562.9219 299.2902 -161640.4304 -109206.5737 299.1889 85.4775 102.9437 760672.7232 -6.4295 -6.6523 PRESSURE: 921400 309.036 -128.368 36.777 -128.368 -113.697 142.06 36.7765 142.06 331.991 GPRESSURE: 921400 315.397 -13.7926 -46.1756 -151.264 -42.8984 162.859 -63.4033 148.004 340.034 PRESSAVG: 921400 32.3792 -54.8557 -45.4295 -54.8557 -39.8876 27.7352 -45.4295 27.7351 -21.6027 GPRESSAVG: 921400 32.2603 -56.7369 -45.7066 -52.9996 -39.5676 27.8442 -45.022 25.6207 -21.7836 TIMING: 921400 CPU: 2913.3, 0.00321758/step Wall: 2913.3, 0.00321758/step, 3.64534 hours remaining, 237.304688 MB of memory in use. ENERGY: 921400 3948.4410 20417.9583 14307.4603 265.8819 -203504.7484 2717.3417 0.0000 0.0000 51973.5917 -109874.0733 298.6929 -161847.6650 -109515.4527 298.5179 175.7767 204.1776 761748.2347 -9.7037 -9.6970 PRESSURE: 921600 112.778 -34.2198 -154.974 -34.2203 33.8049 -96.3251 -154.974 -96.3243 -102.462 GPRESSURE: 921600 121.908 -46.8116 -268.53 -56.0225 83.7108 -96.6354 -80.9482 -34.8051 -73.2856 PRESSAVG: 921600 10.1718 -12.8402 -1.73344 -12.8402 -22.9162 -24.8054 -1.73342 -24.8053 6.02924 GPRESSAVG: 921600 9.87554 -13.1448 -2.49766 -13.5095 -22.6195 -23.9806 0.119665 -25.1659 6.03866 TIMING: 921600 CPU: 2913.94, 0.00320263/step Wall: 2913.94, 0.00320263/step, 3.62822 hours remaining, 237.304688 MB of memory in use. ENERGY: 921600 3979.0220 20323.9020 14352.8559 259.2415 -203457.0323 2489.5861 0.0000 0.0000 52063.0811 -109989.3437 299.2072 -162052.4249 -109627.7247 297.8812 14.7069 44.1111 760458.0390 -2.2384 -2.2351 PRESSURE: 921800 138.407 -126.673 58.9084 -126.673 -140.427 -30.8639 58.9086 -30.8625 -137.845 GPRESSURE: 921800 218.437 -181.742 -4.55727 -160.791 -115.449 -42.0233 29.5628 36.0785 -169.879 PRESSAVG: 921800 -30.7647 23.8127 72.967 23.8128 -14.5259 -1.22938 72.9671 -1.22927 -9.99512 GPRESSAVG: 921800 -30.4972 23.5882 74.0147 23.4773 -14.648 -1.57362 69.5576 -0.0557889 -10.0868 TIMING: 921800 CPU: 2914.58, 0.00321451/step Wall: 2914.58, 0.00321451/step, 3.6415 hours remaining, 237.304688 MB of memory in use. ENERGY: 921800 3936.5448 20461.6290 14359.9509 240.7826 -203111.7979 2260.5805 0.0000 0.0000 52041.9764 -109810.3336 299.0860 -161852.3100 -109437.8963 298.0555 -46.6217 -22.2971 760642.8505 -18.4286 -18.4107 PRESSURE: 922000 -318.42 -262.581 -46.8453 -262.582 -125.01 360.584 -46.8447 360.585 251.393 GPRESSURE: 922000 -281.13 -211.256 32.3078 -272.258 -114.716 349.648 -64.9573 237.594 272.28 PRESSAVG: 922000 -1.26392 -56.003 14.5974 -56.003 2.75838 10.0829 14.5975 10.0828 9.69434 GPRESSAVG: 922000 0.157874 -55.4497 13.9154 -56.3863 2.48157 10.3981 16.5846 8.41713 8.89047 TIMING: 922000 CPU: 2915.23, 0.00321612/step Wall: 2915.23, 0.00321612/step, 3.64314 hours remaining, 237.304688 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: 922000 3939.3562 20369.2628 14477.5047 251.0303 -203449.7793 2407.3319 0.0000 0.0000 52050.0598 -109955.2336 299.1324 -162005.2934 -109595.9767 298.3970 -64.0122 -41.1886 760671.6018 3.7296 3.8433 PRESSURE: 922200 -303.612 -12.5053 -82.622 -12.5035 79.4397 -109.229 -82.6221 -109.229 33.6268 GPRESSURE: 922200 -156.743 -41.5632 -98.8672 31.7587 50.3938 -114.068 -176.841 -62.9951 18.1629 PRESSAVG: 922200 -38.7878 2.88331 -9.05722 2.88326 11.5128 -8.36421 -9.05724 -8.36415 -3.65097 GPRESSAVG: 922200 -39.9725 3.18445 -10.0159 4.57233 11.9357 -8.18998 -9.40036 -7.22947 -2.17906 TIMING: 922200 CPU: 2915.86, 0.00318178/step Wall: 2915.86, 0.00318178/step, 3.60407 hours remaining, 237.304688 MB of memory in use. ENERGY: 922200 3985.3464 20422.9406 14421.4265 232.4278 -203544.5962 2537.1795 0.0000 0.0000 51936.3764 -110008.8990 298.4791 -161945.2754 -109645.3924 298.0704 -63.5152 -29.3953 761128.3260 -10.3086 -10.0719 PRESSURE: 922400 -255.39 -23.5442 209.273 -23.5445 -43.9154 100.42 209.273 100.42 261.141 GPRESSURE: 922400 -151.511 -60.7231 191.168 -98.2307 -46.8101 97.7121 184.744 63.1552 235.048 PRESSAVG: 922400 18.6973 -73.613 -34.5982 -73.6129 -27.9063 -3.10138 -34.5982 -3.10143 1.89437 GPRESSAVG: 922400 19.2563 -73.1728 -33.8565 -75.7262 -27.0234 -2.87855 -34.4663 -4.26337 0.261283 TIMING: 922400 CPU: 2916.5, 0.00318969/step Wall: 2916.5, 0.0031897/step, 3.61286 hours remaining, 237.304688 MB of memory in use. ENERGY: 922400 3997.0084 20497.7718 14487.3750 257.6354 -203392.1987 2424.8543 0.0000 0.0000 51661.3445 -110066.2093 296.8985 -161727.5538 -109700.7103 298.1814 -12.7216 12.2423 760048.3263 -2.4382 -2.5020 PRESSURE: 922600 191.934 6.23504 -17.6614 6.23475 219.186 28.8155 -17.6612 28.816 -426.513 GPRESSURE: 922600 125.863 91.566 6.65588 8.70939 266.284 -7.82058 -101.468 108.617 -326.972 PRESSAVG: 922600 14.8323 -13.2208 -34.963 -13.2207 -24.5412 -13.7367 -34.9629 -13.7366 -6.02954 GPRESSAVG: 922600 15.075 -12.8615 -33.6291 -12.3853 -24.6009 -12.4502 -36.0283 -13.4596 -6.11308 TIMING: 922600 CPU: 2917.14, 0.00320128/step Wall: 2917.14, 0.00320128/step, 3.6258 hours remaining, 237.304688 MB of memory in use. ENERGY: 922600 3952.2639 20505.4973 14337.1299 259.7905 -203365.2209 2532.6919 0.0000 0.0000 51846.9027 -109930.9447 297.9649 -161777.8474 -109573.9620 298.3694 -5.1310 21.7251 761410.3041 -5.2461 -5.2130 PRESSURE: 922800 -43.7002 218.525 27.371 218.525 -257.267 108.817 27.371 108.817 -454.093 GPRESSURE: 922800 6.87452 308.894 -38.9481 108.969 -238.486 226.271 117.143 27.5653 -449.046 PRESSAVG: 922800 51.524 -39.3351 -52.3977 -39.3352 -76.4269 -31.4186 -52.3977 -31.4186 -10.104 GPRESSAVG: 922800 49.7335 -38.7486 -55.0101 -38.0417 -76.8359 -32.0846 -50.9986 -33.8003 -7.45902 TIMING: 922800 CPU: 2917.78, 0.00317304/step Wall: 2917.78, 0.00317304/step, 3.59364 hours remaining, 237.304688 MB of memory in use. ENERGY: 922800 3990.0473 20447.6638 14498.0953 266.5902 -203945.2174 2792.3955 0.0000 0.0000 52088.5765 -109861.8488 299.3538 -161950.4254 -109487.1875 298.5118 -251.6867 -226.8857 761688.8111 -11.6690 -11.5205 PRESSURE: 923000 -106.849 -67.1503 197.637 -67.1505 -441.49 127.83 197.637 127.83 -39.0311 GPRESSURE: 923000 -93.3844 -171.694 123.62 -72.9978 -343.813 128.403 166.598 56.6582 -81.8739 PRESSAVG: 923000 65.9986 16.1981 61.3838 16.1981 -118.845 -19.4515 61.3839 -19.4515 -20.5467 GPRESSAVG: 923000 67.1298 16.3045 60.7652 15.1806 -118.773 -20.7983 61.632 -17.1641 -21.7275 TIMING: 923000 CPU: 2918.41, 0.00316736/step Wall: 2918.41, 0.00316736/step, 3.58703 hours remaining, 237.304688 MB of memory in use. ENERGY: 923000 4021.3690 20367.3015 14492.1687 244.6162 -203674.8365 2675.9130 0.0000 0.0000 51980.2740 -109893.1941 298.7313 -161873.4681 -109543.4586 299.0344 -195.7900 -173.0236 762705.8408 -24.4645 -24.4570 PRESSURE: 923200 280.799 -150.687 -96.0412 -150.687 -267.781 64.274 -96.0407 64.2739 -224.357 GPRESSURE: 923200 327.816 -135.466 -69.1346 -106.366 -216.114 152.428 -116.665 108.988 -232.02 PRESSAVG: 923200 56.069 -17.9019 41.9009 -17.9018 -32.8885 10.9106 41.9009 10.9106 -19.6174 GPRESSAVG: 923200 57.9413 -19.9319 43.3545 -16.8017 -33.9344 9.94228 41.5257 12.732 -20.7569 TIMING: 923200 CPU: 2919.05, 0.00318204/step Wall: 2919.05, 0.00318205/step, 3.60349 hours remaining, 237.304688 MB of memory in use. ENERGY: 923200 3946.7264 20453.0215 14488.6071 244.6881 -203636.0338 2617.2176 0.0000 0.0000 51986.6066 -109899.1667 298.7677 -161885.7733 -109540.2182 298.5523 -70.4461 -40.1059 762047.1040 1.1877 1.0834 PRESSURE: 923400 -83.7335 -63.9102 -74.8317 -63.9104 -291.914 65.0884 -74.8316 65.089 -94.3766 GPRESSURE: 923400 -90.8173 -35.2205 -5.7973 -77.8104 -165.009 22.1387 8.91353 -4.20316 -110.163 PRESSAVG: 923400 17.7452 -51.877 -8.5294 -51.877 1.31663 -22.1595 -8.52939 -22.1594 -13.3825 GPRESSAVG: 923400 17.0405 -52.5118 -7.90151 -51.8613 1.60851 -20.3897 -8.67222 -24.1803 -12.573 TIMING: 923400 CPU: 2919.68, 0.00317078/step Wall: 2919.68, 0.00317078/step, 3.59055 hours remaining, 237.304688 MB of memory in use. ENERGY: 923400 3874.0654 20385.3178 14468.5897 252.8368 -203278.3287 2499.1926 0.0000 0.0000 51845.9087 -109952.4176 297.9591 -161798.3263 -109586.8871 298.2799 -156.6747 -121.9963 761829.8669 1.8931 2.0253 PRESSURE: 923600 29.7367 -107.439 31.0274 -107.439 8.75174 -288.858 31.0268 -288.858 -164.393 GPRESSURE: 923600 105.281 -83.4073 -0.0249014 -88.6304 -23.8385 -255.614 -41.513 -244.198 -114.459 PRESSAVG: 923600 74.2667 -18.2006 37.3095 -18.2006 -20.1294 -24.7216 37.3096 -24.7216 -3.26669 GPRESSAVG: 923600 72.1594 -16.8473 36.4762 -18.6466 -18.7314 -23.8263 37.0368 -24.5983 -2.63974 TIMING: 923600 CPU: 2920.32, 0.00321858/step Wall: 2920.32, 0.00321858/step, 3.6445 hours remaining, 237.304688 MB of memory in use. ENERGY: 923600 3988.6658 20236.0831 14354.7781 232.3785 -203672.0067 2758.0844 0.0000 0.0000 52097.2196 -110004.7971 299.4034 -162102.0167 -109646.0539 298.4955 -41.9682 -11.0058 760737.4145 16.9569 16.9294 PRESSURE: 923800 112.309 3.65487 -205.945 3.65483 219.429 50.2372 -205.946 50.2365 297.827 GPRESSURE: 923800 231.733 -75.649 -216.986 71.1419 169.909 -0.604169 -153.388 -35.9552 297.587 PRESSAVG: 923800 -9.50434 -74.7167 -48.2085 -74.7167 -22.6057 -35.5378 -48.2085 -35.5378 -15.4816 GPRESSAVG: 923800 -7.92598 -73.5939 -48.9604 -75.5259 -23.5934 -36.0294 -48.2398 -35.4995 -16.0672 TIMING: 923800 CPU: 2920.97, 0.00321551/step Wall: 2920.97, 0.00321551/step, 3.64085 hours remaining, 237.304688 MB of memory in use. ENERGY: 923800 3860.4095 20142.6696 14462.2755 262.7179 -203521.4175 2679.1660 0.0000 0.0000 51799.3578 -110314.8211 297.6916 -162114.1790 -109937.2544 297.4788 209.8550 233.0763 760782.8614 -15.8639 -15.8622 PRESSURE: 924000 137 -109.302 -18.6657 -109.303 279.329 -53.5164 -18.6666 -53.5163 -197.589 GPRESSURE: 924000 258.251 -101.953 -69.4833 -136.257 266.259 -124.985 16.9182 -1.42237 -218.153 PRESSAVG: 924000 33.7523 -59.4939 -36.4022 -59.4939 4.91659 -39.4369 -36.4022 -39.437 15.5514 GPRESSAVG: 924000 33.8718 -59.903 -35.2289 -58.7511 4.9917 -40.8951 -36.4035 -35.9652 15.9247 TIMING: 924000 CPU: 2921.61, 0.00320156/step Wall: 2921.61, 0.00320156/step, 3.62487 hours remaining, 237.304688 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: 924000 3932.6404 20236.3208 14444.1933 246.4059 -203854.9705 2866.8543 0.0000 0.0000 51847.5111 -110281.0447 297.9684 -162128.5558 -109926.6984 297.2445 72.9137 102.1189 760058.5807 18.0734 18.2627 PRESSURE: 924200 87.1861 -101.367 147.854 -101.366 -155 278.69 147.854 278.69 -199.08 GPRESSURE: 924200 146.865 -78.6172 139.018 -62.026 -92.0561 231.354 74.3137 177.631 -238.696 PRESSAVG: 924200 52.9634 -51.8171 -23.8954 -51.8171 -26.2728 25.1145 -23.8954 25.1145 -15.1224 GPRESSAVG: 924200 52.6191 -52.5568 -24.0207 -51.8872 -25.5507 25.7565 -24.219 22.1618 -15.8667 TIMING: 924200 CPU: 2922.25, 0.00319476/step Wall: 2922.25, 0.00319476/step, 3.617 hours remaining, 237.304688 MB of memory in use. ENERGY: 924200 3916.4985 20336.8027 14483.3747 238.8134 -203510.9849 2503.3297 0.0000 0.0000 51541.2104 -110490.9557 296.2080 -162032.1661 -110129.5208 297.0035 -88.9646 -61.2955 760495.1979 3.8561 3.7339 LDB: ============= START OF LOAD BALANCING ============== 2934.7 LDB: ============== END OF LOAD BALANCING =============== 2934.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2934.7 LDB: ============= START OF LOAD BALANCING ============== 2935.02 LDB: Largest compute 7038 load 0.035903 is 18.4% of average load 0.195158 LDB: Average compute 0.004396 is 2.3% of average load 0.195158 LDB: TIME 2935.03 LOAD: AVG 0.195158 MAX 0.215482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.105 MB LDB: TIME 2935.03 LOAD: AVG 0.195158 MAX 0.215482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: TIME 2935.03 LOAD: AVG 0.195158 MAX 0.215482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: ============== END OF LOAD BALANCING =============== 2935.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2935.03 PRESSURE: 924400 75.54 -179.552 -136.069 -179.552 -426.372 -80.7767 -136.069 -80.7769 -384.778 GPRESSURE: 924400 7.95704 -124.809 -109.463 -53.919 -365.26 -80.7067 -63.0226 -230.232 -305.729 PRESSAVG: 924400 11.7503 -48.3835 5.14535 -48.3836 -24.7768 -3.74857 5.14532 -3.74851 15.8879 GPRESSAVG: 924400 11.7314 -49.5746 4.33058 -49.9672 -25.343 -2.48092 4.86073 -3.12968 16.2535 TIMING: 924400 CPU: 2922.9, 0.00325238/step Wall: 2922.9, 0.00325238/step, 3.68206 hours remaining, 236.531250 MB of memory in use. ENERGY: 924400 3909.7739 20307.2053 14437.8101 251.6225 -203284.8346 2480.2775 0.0000 0.0000 51682.8890 -110215.2564 297.0223 -161898.1454 -109861.1954 297.2254 -245.2033 -221.0107 761584.9914 0.9538 0.8806 PRESSURE: 924600 -101.787 -260.25 -283.627 -260.25 -292.033 -206.683 -283.627 -206.681 117.326 GPRESSURE: 924600 -108.724 -232.982 -229.289 -265.824 -180.819 -281.876 -296.456 -210.018 89.0881 PRESSAVG: 924600 27.9378 -70.8608 8.08153 -70.8609 -5.21727 -22.4704 8.08153 -22.4703 -11.0996 GPRESSAVG: 924600 26.7658 -70.0218 7.60131 -71.1651 -4.6613 -23.7014 7.67021 -22.6495 -10.8504 TIMING: 924600 CPU: 2923.53, 0.00315624/step Wall: 2923.53, 0.00315624/step, 3.57304 hours remaining, 236.531250 MB of memory in use. ENERGY: 924600 4005.5670 20359.5841 14488.9349 225.1607 -203547.5376 2791.5594 0.0000 0.0000 51818.9320 -109857.7995 297.8041 -161676.7315 -109500.0899 297.8221 -92.1643 -66.8183 762289.7179 3.8736 3.7514 PRESSURE: 924800 36.3606 -109.871 68.8506 -109.871 21.7071 202.303 68.8501 202.302 -427.905 GPRESSURE: 924800 95.3484 -205.24 -0.392838 -142.269 -52.3145 196.521 -3.29153 247.009 -329.472 PRESSAVG: 924800 23.2553 -96.7602 -34.1921 -96.7602 -6.86542 -15.0455 -34.1922 -15.0455 -0.0633235 GPRESSAVG: 924800 23.4564 -97.97 -32.4926 -95.0557 -7.80664 -16.7882 -35.2624 -15.0193 0.46654 TIMING: 924800 CPU: 2924.16, 0.00316552/step Wall: 2924.16, 0.00316552/step, 3.58337 hours remaining, 236.531250 MB of memory in use. ENERGY: 924800 3907.6028 20459.4452 14459.0396 246.1835 -203296.0085 2431.4081 0.0000 0.0000 52037.1309 -109755.1984 299.0581 -161792.3293 -109403.4568 298.2587 -123.2792 -95.4795 760944.5041 5.4422 5.3721 PRESSURE: 925000 -214.666 -154.628 -50.1277 -154.628 -294.084 -204.653 -50.1275 -204.653 -214.099 GPRESSURE: 925000 -166.568 -234.061 -28.8858 -271.514 -253.107 -167.993 -54.8728 -207.34 -176.704 PRESSAVG: 925000 23.6727 -68.3272 -39.0944 -68.3272 -3.04431 -26.0868 -39.0944 -26.0868 -7.15491 GPRESSAVG: 925000 23.6382 -65.0487 -40.0624 -70.5265 -2.35958 -25.0505 -38.7811 -25.3722 -7.43282 TIMING: 925000 CPU: 2924.8, 0.0031894/step Wall: 2924.8, 0.0031894/step, 3.61023 hours remaining, 236.531250 MB of memory in use. ENERGY: 925000 4029.4890 20227.9375 14473.8672 244.4109 -202931.9354 2287.8918 0.0000 0.0000 52132.6594 -109535.6797 299.6071 -161668.3391 -109168.5714 298.8028 -240.9497 -198.7931 761144.4644 4.4912 4.6153 PRESSURE: 925200 3.32544 -14.382 114.739 -14.3814 207.861 140.922 114.738 140.924 -217.992 GPRESSURE: 925200 135.8 75.2412 122.995 -16.4191 214.734 98.9416 192.92 115.074 -261.788 PRESSAVG: 925200 61.4031 -59.5381 2.80345 -59.5382 -13.4679 13.5583 2.80343 13.5583 16.1555 GPRESSAVG: 925200 62.2153 -62.0469 5.33791 -57.1042 -13.7527 13.0752 3.03599 12.3182 15.5939 TIMING: 925200 CPU: 2925.44, 0.00318743/step Wall: 2925.44, 0.00318743/step, 3.60781 hours remaining, 236.531250 MB of memory in use. ENERGY: 925200 3998.8254 20381.8578 14375.0386 244.0346 -203287.4524 2443.4106 0.0000 0.0000 52292.9826 -109551.3028 300.5285 -161844.2854 -109189.2660 299.3376 -2.2686 29.5819 759655.5638 21.3636 21.3521 PRESSURE: 925400 238.062 -186.748 -2.64303 -186.747 264.938 89.2628 -2.64378 89.264 23.4207 GPRESSURE: 925400 257.401 -105.479 -63.4344 -62.6624 336.082 62.7305 -54.6917 57.227 28.8376 PRESSAVG: 925400 -2.53148 -11.384 21.8356 -11.3839 15.1014 -27.1706 21.8356 -27.1706 -3.77911 GPRESSAVG: 925400 -2.84965 -10.0968 19.9118 -12.3691 14.1784 -28.0167 24.2298 -26.7463 -3.36338 TIMING: 925400 CPU: 2926.07, 0.0031686/step Wall: 2926.07, 0.0031686/step, 3.58633 hours remaining, 236.531250 MB of memory in use. ENERGY: 925400 4015.4493 20529.8975 14327.3112 251.2751 -203610.3238 2803.5330 0.0000 0.0000 51884.4905 -109798.3672 298.1809 -161682.8577 -109444.4635 298.8692 175.4734 207.4401 759519.7579 2.9303 2.6551 PRESSURE: 925600 -194.396 -26.0188 197.602 -26.0188 -50.4575 53.401 197.602 53.4011 41.5332 GPRESSURE: 925600 -165.131 -92.7935 151.312 16.1536 -15.0223 145.016 369.564 90.8097 57.4053 PRESSAVG: 925600 0.648694 -36.2347 33.7535 -36.2347 -4.72894 36.1369 33.7535 36.1369 20.0426 GPRESSAVG: 925600 0.52417 -38.0072 35.3128 -36.9427 -4.63402 38.6598 31.6756 36.3626 19.5132 TIMING: 925600 CPU: 2926.71, 0.0031757/step Wall: 2926.71, 0.0031757/step, 3.59419 hours remaining, 236.531250 MB of memory in use. ENERGY: 925600 4017.6070 20362.7467 14397.3942 268.0723 -203265.5240 2313.6526 0.0000 0.0000 51873.1169 -110032.9343 298.1155 -161906.0511 -109674.3459 298.3920 -67.7733 -40.9159 759815.2655 5.3208 5.1344 PRESSURE: 925800 -322.865 -20.3544 171.668 -20.3546 -87.5666 171.757 171.669 171.756 -40.9024 GPRESSURE: 925800 -186.772 -64.6724 124.141 62.2198 -150.031 53.2418 158.944 165.799 -34.5066 PRESSAVG: 925800 23.64 -8.12836 35.5342 -8.12837 1.40784 -45.7786 35.5342 -45.7785 23.8985 GPRESSAVG: 925800 22.65 -6.91712 34.6941 -6.24526 2.31487 -47.2703 35.6959 -47.0477 23.9171 TIMING: 925800 CPU: 2927.34, 0.00317483/step Wall: 2927.34, 0.00317483/step, 3.59303 hours remaining, 236.531250 MB of memory in use. ENERGY: 925800 3971.6373 20483.2737 14486.3716 264.4193 -203470.4870 2417.1038 0.0000 0.0000 52009.7223 -109837.9590 298.9006 -161847.6813 -109477.0423 298.5583 -150.4446 -123.7701 760199.4591 16.3154 16.2940 PRESSURE: 926000 -328.498 95.7068 -66.9986 95.7068 58.0715 -162.895 -66.9991 -162.896 217.742 GPRESSURE: 926000 -244.864 51.025 -148.627 -106.367 21.487 -131.274 -128.154 -90.8989 244.524 PRESSAVG: 926000 0.902682 -46.4499 -25.0039 -46.4498 18.5986 -18.4603 -25.004 -18.4604 0.97286 GPRESSAVG: 926000 2.29883 -45.9556 -26.2648 -49.0495 17.3912 -16.0577 -25.4068 -16.3495 0.85364 TIMING: 926000 CPU: 2927.97, 0.00315838/step Wall: 2927.97, 0.00315838/step, 3.57423 hours remaining, 236.531250 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: 926000 3921.6362 20574.8092 14412.1284 247.7401 -203394.8843 2425.8250 0.0000 0.0000 52053.3291 -109759.4163 299.1512 -161812.7454 -109397.8653 298.8776 -17.5616 7.0490 760794.9069 6.8247 6.8479 PRESSURE: 926200 187.532 -218.742 36.6855 -218.741 -49.2833 168.761 36.6848 168.761 19.9245 GPRESSURE: 926200 183.368 -265.974 -13.9728 -78.5609 56.2478 242.557 1.26872 45.2505 -17.3088 PRESSAVG: 926200 -16.5882 -31.85 27.0617 -31.85 3.01571 3.17497 27.0617 3.17502 1.39996 GPRESSAVG: 926200 -17.6888 -33.5022 25.8632 -31.0515 3.26574 2.06321 27.1409 1.79818 1.67818 TIMING: 926200 CPU: 2928.6, 0.00316086/step Wall: 2928.6, 0.00316086/step, 3.57686 hours remaining, 236.531250 MB of memory in use. ENERGY: 926200 4000.8211 20736.0148 14434.6453 262.8548 -203580.9235 2435.0436 0.0000 0.0000 51946.0552 -109765.4888 298.5347 -161711.5440 -109407.8848 298.8202 52.7245 74.1024 759993.8731 -4.0575 -4.2483 PRESSURE: 926400 -163.698 -78.7521 -3.53633 -78.7528 -97.105 -5.24078 -3.53608 -5.2403 -217.702 GPRESSURE: 926400 -110.921 -64.4498 -7.97929 -105.488 -41.8083 13.1429 54.5621 26.7047 -228.227 PRESSAVG: 926400 30.2979 -33.2806 13.5978 -33.2806 -1.53587 0.801027 13.5978 0.801059 29.5704 GPRESSAVG: 926400 31.0188 -32.5593 17.091 -33.9075 -0.881476 1.27477 12.4339 1.43948 28.4132 TIMING: 926400 CPU: 2929.24, 0.00318768/step Wall: 2929.24, 0.00318768/step, 3.60704 hours remaining, 236.531250 MB of memory in use. ENERGY: 926400 4029.5919 20327.7417 14462.4411 254.9242 -203554.4310 2542.2913 0.0000 0.0000 51912.8875 -110024.5533 298.3441 -161937.4408 -109666.8734 299.2720 -159.5015 -126.9854 760167.7550 19.4442 19.5169 PRESSURE: 926600 213.983 -57.1067 83.2655 -57.1069 -179.375 -83.3022 83.2666 -83.303 -514.806 GPRESSURE: 926600 271.53 -175.459 130.833 -16.0552 -228.052 73.9437 40.1365 -160.554 -452.522 PRESSAVG: 926600 40.8699 -41.9027 -45.3908 -41.9026 -16.8327 -27.0348 -45.3908 -27.0348 -12.8996 GPRESSAVG: 926600 41.1065 -41.9658 -45.6911 -40.2403 -16.8181 -27.3555 -43.2188 -27.9262 -12.757 TIMING: 926600 CPU: 2929.88, 0.00317581/step Wall: 2929.88, 0.00317581/step, 3.59343 hours remaining, 236.531250 MB of memory in use. ENERGY: 926600 4009.8916 20591.5290 14380.0550 246.2064 -204095.9123 2850.6498 0.0000 0.0000 51950.3968 -110067.1837 298.5596 -162017.5805 -109710.6804 298.6730 -160.0663 -136.3481 759802.1322 3.7125 3.8438 PRESSURE: 926800 7.99868 132.25 -126.662 132.25 87.7468 7.00985 -126.662 7.00933 -81.923 GPRESSURE: 926800 48.3082 165.214 -154.574 40.0254 155.183 25.7199 -188.646 -121.573 -97.9149 PRESSAVG: 926800 -10.0453 -25.3516 -27.008 -25.3516 17.3385 -60.3177 -27.008 -60.3177 13.4049 GPRESSAVG: 926800 -9.72787 -23.3463 -27.6137 -28.4563 16.3933 -61.5481 -27.2906 -59.9601 14.1782 TIMING: 926800 CPU: 2930.51, 0.00318649/step Wall: 2930.51, 0.00318649/step, 3.60534 hours remaining, 236.531250 MB of memory in use. ENERGY: 926800 4060.1490 20520.5935 14393.4236 254.2254 -203935.4204 2706.4973 0.0000 0.0000 51741.1504 -110259.3811 297.3571 -162000.5316 -109900.4337 298.5243 4.6075 35.1921 760146.2623 6.8994 6.9479 PRESSURE: 927000 -82.063 96.859 -64.4684 96.859 -192.295 101.747 -64.469 101.745 -497.255 GPRESSURE: 927000 -97.5669 7.61283 18.8768 -6.83927 -184.542 57.4657 -124.427 141.145 -428.994 PRESSAVG: 927000 -33.0835 -40.865 -21.9052 -40.865 30.8212 7.02406 -21.9052 7.02406 -13.2396 GPRESSAVG: 927000 -33.3297 -43.3541 -22.6281 -39.1125 31.0479 8.60904 -23.4587 8.586 -13.6259 TIMING: 927000 CPU: 2931.16, 0.00321707/step Wall: 2931.16, 0.00321707/step, 3.63976 hours remaining, 236.531250 MB of memory in use. ENERGY: 927000 4056.6040 20387.8041 14442.1428 244.2865 -203624.0175 2554.4112 0.0000 0.0000 51897.9874 -110040.7814 298.2584 -161938.7687 -109661.5180 298.3432 -257.2044 -237.0342 760877.3461 -5.1673 -5.3026 PRESSURE: 927200 135.17 123.651 -164.229 123.651 -48.5128 -256.593 -164.23 -256.593 -51.5375 GPRESSURE: 927200 49.3333 77.8705 -173.724 199.215 9.75925 -234.934 -87.084 -248.45 43.3814 PRESSAVG: 927200 55.333 3.3205 -1.36146 3.3205 -16.7121 34.4417 -1.36142 34.4417 4.65162 GPRESSAVG: 927200 53.3417 5.00751 -1.5379 2.44308 -15.4633 33.7212 -0.716344 32.8879 5.61706 TIMING: 927200 CPU: 2931.8, 0.00320604/step Wall: 2931.8, 0.00320604/step, 3.62711 hours remaining, 236.531250 MB of memory in use. ENERGY: 927200 3913.4043 20577.7173 14465.1023 256.4269 -204072.8022 2848.8248 0.0000 0.0000 52143.1258 -109868.2007 299.6673 -162011.3266 -109509.3366 298.5783 11.7066 34.1580 761421.0936 14.4242 14.4985 PRESSURE: 927400 -129.344 43.1828 -40.1439 43.1829 192.72 38.188 -40.1444 38.1889 13.7825 GPRESSURE: 927400 -141.022 -21.0469 2.9786 -100.666 284.393 87.9567 -24.483 174.604 17.3553 PRESSAVG: 927400 19.3486 8.84567 -31.3385 8.84565 -6.89803 -47.895 -31.3385 -47.8951 13.6395 GPRESSAVG: 927400 19.9173 8.08435 -31.0225 8.28938 -6.98016 -47.4362 -30.8115 -45.8986 12.9517 TIMING: 927400 CPU: 2932.44, 0.00321165/step Wall: 2932.44, 0.00321165/step, 3.63327 hours remaining, 236.531250 MB of memory in use. ENERGY: 927400 4006.0278 20483.0307 14425.9870 231.5581 -204058.3557 2858.1717 0.0000 0.0000 52009.3514 -110044.2288 298.8985 -162053.5803 -109676.0877 298.9425 25.7193 53.5754 759887.7960 8.6967 8.6296 PRESSURE: 927600 -87.4647 17.1328 -18.2718 17.1323 39.0831 -84.2148 -18.2718 -84.2144 -244.644 GPRESSURE: 927600 42.8342 -51.874 -99.3456 -74.5466 -6.23349 -164.799 -24.7239 -95.0752 -250.379 PRESSAVG: 927600 -56.1635 15.6504 -1.10367 15.6505 31.9112 37.8654 -1.10366 37.8655 20.4414 GPRESSAVG: 927600 -54.8143 13.237 -3.2199 14.7673 30.7261 38.0999 -0.972263 35.5916 20.7528 TIMING: 927600 CPU: 2933.08, 0.0031934/step Wall: 2933.08, 0.0031934/step, 3.61244 hours remaining, 236.531250 MB of memory in use. ENERGY: 927600 4004.3745 20428.7923 14408.9675 250.8446 -203647.9855 2509.0209 0.0000 0.0000 51844.2560 -110201.7298 297.9497 -162045.9858 -109841.2687 298.0063 -97.6753 -71.2594 759679.0500 -1.2703 -1.1118 PRESSURE: 927800 -255.855 151.603 -291.886 151.603 -115.604 168.457 -291.886 168.456 45.2039 GPRESSURE: 927800 -212.53 92.6002 -292.62 34.6152 -125.42 172.685 -150.084 -38.1566 97.9948 PRESSAVG: 927800 -5.16157 1.62618 -56.5442 1.62617 -26.3449 -45.0468 -56.5443 -45.0469 7.07713 GPRESSAVG: 927800 -4.86454 3.1091 -55.7624 2.18171 -25.8424 -47.0728 -55.1919 -44.3876 6.54187 TIMING: 927800 CPU: 2933.72, 0.00319431/step Wall: 2933.72, 0.00319431/step, 3.6133 hours remaining, 236.531250 MB of memory in use. ENERGY: 927800 3973.8272 20402.5166 14397.3265 273.1217 -203852.3626 2799.7089 0.0000 0.0000 52036.7960 -109969.0657 299.0562 -162005.8617 -109611.8667 298.4817 -108.7520 -79.9848 760107.2830 -8.1431 -8.0550 PRESSURE: 928000 -244.065 -74.493 88.1767 -74.493 -316.317 156.639 88.1768 156.638 -176.216 GPRESSURE: 928000 -122.191 -0.708175 42.3813 -86.9907 -360.908 172.985 -1.72109 176.376 -172.315 PRESSAVG: 928000 26.812 26.5442 -48.405 26.5442 7.5993 26.5247 -48.4051 26.5247 -5.62516 GPRESSAVG: 928000 26.1925 28.3396 -47.8413 27.446 7.10123 27.9926 -50.9655 26.3117 -4.57648 TIMING: 928000 CPU: 2934.36, 0.00319817/step Wall: 2934.36, 0.00319817/step, 3.61749 hours remaining, 236.531250 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: 928000 3985.3488 20527.8839 14447.8270 239.2724 -203828.3471 2549.5547 0.0000 0.0000 52139.1535 -109939.3067 299.6444 -162078.4602 -109577.8058 298.7549 -245.5330 -218.4713 760495.6717 9.5954 9.5724 PRESSURE: 928200 222.704 107.056 24.8283 107.056 -18.4747 -66.7804 24.8284 -66.7802 380.433 GPRESSURE: 928200 255.518 9.85982 7.56855 144.678 44.3774 4.41463 -50.8549 -160.955 367.357 PRESSAVG: 928200 25.8022 -24.682 26.9959 -24.682 -15.9984 19.6251 26.9958 19.6251 -7.33632 GPRESSAVG: 928200 25.5985 -25.7645 27.8957 -23.9498 -15.6714 19.1454 27.8782 18.6369 -7.01907 TIMING: 928200 CPU: 2935, 0.00320117/step Wall: 2935, 0.00320117/step, 3.6207 hours remaining, 236.531250 MB of memory in use. ENERGY: 928200 3996.0605 20493.4863 14449.9429 250.2357 -203747.7777 2593.4443 0.0000 0.0000 52030.2941 -109934.3138 299.0188 -161964.6079 -109568.8384 298.8880 194.8872 222.4177 758415.5316 0.8225 0.9694 LDB: ============= START OF LOAD BALANCING ============== 2947.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2947.46 LDB: =============== DONE WITH MIGRATION ================ 2947.46 LDB: ============= START OF LOAD BALANCING ============== 2947.78 LDB: Largest compute 7034 load 0.037703 is 19.3% of average load 0.195124 LDB: Average compute 0.004391 is 2.3% of average load 0.195124 LDB: TIME 2947.78 LOAD: AVG 0.195124 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.555 MB LDB: TIME 2947.78 LOAD: AVG 0.195124 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: TIME 2947.78 LOAD: AVG 0.195124 MAX 0.216418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: ============== END OF LOAD BALANCING =============== 2947.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2947.79 PRESSURE: 928400 -98.479 21.0982 230.634 21.099 32.7584 -67.7894 230.634 -67.7879 -65.1358 GPRESSURE: 928400 -45.7515 186.68 249.371 -66.2043 91.368 -22.1308 182.859 -64.9052 -98.8557 PRESSAVG: 928400 -33.6806 15.8913 8.78723 15.8914 -26.5633 2.53679 8.78716 2.53676 2.93985 GPRESSAVG: 928400 -32.8837 17.1079 7.97685 14.541 -25.9864 4.08261 6.52015 2.84826 1.77995 TIMING: 928400 CPU: 2935.65, 0.00327456/step Wall: 2935.65, 0.00327456/step, 3.70353 hours remaining, 236.843750 MB of memory in use. ENERGY: 928400 3967.1134 20614.8566 14416.8110 235.6260 -203248.8932 2281.0689 0.0000 0.0000 51781.1216 -109952.2958 297.5868 -161733.4175 -109585.6984 298.7870 -43.6188 -17.7464 761232.8348 -19.1013 -19.0301 PRESSURE: 928600 317.65 -413.209 -137.924 -413.209 -10.1992 -124.673 -137.925 -124.671 -24.3712 GPRESSURE: 928600 331.159 -426.776 -139.441 -332.717 15.8841 -109.987 -234.379 -74.3901 25.1304 PRESSAVG: 928600 -28.66 4.00453 -26.6374 4.00451 27.9505 11.7943 -26.6373 11.7943 -0.00621054 GPRESSAVG: 928600 -30.1713 3.22718 -26.6915 7.15899 28.7976 10.8013 -23.6347 12.4193 0.861789 TIMING: 928600 CPU: 2936.3, 0.00322644/step Wall: 2936.3, 0.00322644/step, 3.64892 hours remaining, 237.042969 MB of memory in use. ENERGY: 928600 4002.6714 20482.7155 14414.9654 246.0384 -203547.3340 2359.0706 0.0000 0.0000 52050.2512 -109991.6215 299.1335 -162041.8727 -109624.3931 298.3112 94.3599 124.0579 760240.6001 -0.2386 -0.1706 PRESSURE: 928800 -54.6932 -12.5797 -152.898 -12.5793 -95.4325 -84.7328 -152.897 -84.733 -311.843 GPRESSURE: 928800 -7.07551 -11.3977 -91.9824 -63.1129 -102.706 -32.5042 -120.421 -92.8374 -264.636 PRESSAVG: 928800 13.6657 -22.3113 -0.805318 -22.3113 13.4517 29.0129 -0.805283 29.0128 9.48807 GPRESSAVG: 928800 15.083 -22.5013 0.271163 -23.7518 11.7477 29.1245 -1.4027 28.8285 9.55998 TIMING: 928800 CPU: 2936.94, 0.00322152/step Wall: 2936.94, 0.00322152/step, 3.64318 hours remaining, 237.042969 MB of memory in use. ENERGY: 928800 4012.5771 20642.7680 14383.9115 262.3341 -203594.0074 2480.1880 0.0000 0.0000 51909.2282 -109903.0004 298.3230 -161812.2287 -109548.3202 298.4847 -153.9896 -124.8056 761100.5169 12.2018 12.1302 PRESSURE: 929000 -127.783 -71.4437 -235.173 -71.4444 -155.856 172.515 -235.174 172.515 3.20016 GPRESSURE: 929000 -105.408 -64.9239 -194.073 -119.181 -133.428 232.536 -80.5135 155.502 35.9831 PRESSAVG: 929000 -20.7795 -27.2768 -29.9109 -27.2769 20.3273 4.55575 -29.911 4.55575 -11.0109 GPRESSAVG: 929000 -20.879 -26.2534 -31.4083 -28.1763 20.0353 2.85168 -29.6892 3.51931 -10.9164 TIMING: 929000 CPU: 2937.59, 0.00320976/step Wall: 2937.59, 0.00320976/step, 3.62971 hours remaining, 237.042969 MB of memory in use. ENERGY: 929000 4012.7179 20474.8219 14456.3460 221.9432 -203279.4925 2213.0853 0.0000 0.0000 52036.2730 -109864.3051 299.0532 -161900.5782 -109501.6433 298.6467 -93.4797 -67.6175 761728.5001 -3.8210 -3.9200 PRESSURE: 929200 316.178 -14.2717 46.3979 -14.2721 137.013 167.957 46.3983 167.958 -193.213 GPRESSURE: 929200 479.523 86.9626 40.1002 -81.9982 90.6913 90.368 -6.59743 115.464 -218.778 PRESSAVG: 929200 -17.9692 -36.9624 -14.9276 -36.9624 -2.95279 17.0723 -14.9275 17.0723 19.4423 GPRESSAVG: 929200 -17.2614 -37.011 -14.4561 -37.6409 -2.90796 18.1519 -14.2454 17.3746 18.8224 TIMING: 929200 CPU: 2938.22, 0.00317929/step Wall: 2938.22, 0.00317929/step, 3.59508 hours remaining, 237.042969 MB of memory in use. ENERGY: 929200 4041.3615 20499.3885 14463.1896 233.3327 -203560.1463 2566.6671 0.0000 0.0000 51917.3409 -109838.8660 298.3697 -161756.2070 -109485.3363 299.0429 86.6595 117.1456 759339.4922 -0.4932 -0.4490 PRESSURE: 929400 244.767 -67.101 -150.398 -67.1007 155.844 13.5499 -150.397 13.5497 292.434 GPRESSURE: 929400 192.917 -122.02 -85.9948 -24.7586 228.611 -29.14 -113.416 9.27044 365.455 PRESSAVG: 929400 -5.42301 -4.95248 -25.7745 -4.95245 -15.0543 -23.8577 -25.7744 -23.8577 8.56889 GPRESSAVG: 929400 -6.35964 -4.99627 -24.5532 -5.92031 -14.6326 -24.7209 -26.8932 -22.5233 8.92593 TIMING: 929400 CPU: 2938.85, 0.00316838/step Wall: 2938.85, 0.00316838/step, 3.58255 hours remaining, 237.042969 MB of memory in use. ENERGY: 929400 3954.1738 20434.9766 14488.8650 238.2129 -203486.3204 2666.2700 0.0000 0.0000 51795.7516 -109908.0704 297.6709 -161703.8221 -109556.1187 298.7399 231.0151 262.3278 760234.0454 -3.9695 -4.0221 PRESSURE: 929600 -130.128 -120.58 50.7186 -120.58 -461.449 -54.6504 50.7189 -54.6501 52.2513 GPRESSURE: 929600 -58.1588 -55.8006 18.2265 -213.663 -351.257 -123.371 56.9029 -65.2174 -34.7583 PRESSAVG: 929600 -12.5554 1.05831 -35.492 1.0583 -35.1309 30.9754 -35.492 30.9753 0.437564 GPRESSAVG: 929600 -12.7151 -0.0356654 -36.5298 2.00872 -34.033 33.4264 -34.3402 29.4056 -0.864188 TIMING: 929600 CPU: 2939.49, 0.00319871/step Wall: 2939.49, 0.00319871/step, 3.61668 hours remaining, 237.042969 MB of memory in use. ENERGY: 929600 4038.7156 20440.4288 14425.1205 232.1578 -203240.3788 2506.9880 0.0000 0.0000 51687.0321 -109909.9360 297.0461 -161596.9681 -109537.2231 298.4106 -179.7753 -148.0580 763374.4779 -15.7496 -15.8708 PRESSURE: 929800 -167.226 -7.32734 -45.3192 -7.32667 116.871 432.283 -45.3195 432.283 235.674 GPRESSURE: 929800 -28.6542 -5.48775 5.54496 -56.4392 63.9408 387.934 -295.074 377.932 235.116 PRESSAVG: 929800 26.9007 -8.37748 8.69592 -8.3775 -19.4726 6.08175 8.69586 6.08172 12.0808 GPRESSAVG: 929800 26.4584 -9.78569 9.79857 -6.65426 -19.9133 3.43901 7.5168 5.99574 12.697 TIMING: 929800 CPU: 2940.13, 0.00320208/step Wall: 2940.13, 0.00320208/step, 3.62031 hours remaining, 237.042969 MB of memory in use. ENERGY: 929800 4053.8701 20555.6628 14492.0880 248.7265 -204096.9527 2818.8559 0.0000 0.0000 52175.5909 -109752.1586 299.8538 -161927.7495 -109396.4673 298.7572 61.7731 90.1342 762006.9130 6.5030 6.4140 PRESSURE: 930000 173.858 -24.7074 194.512 -24.707 -98.9827 -84.1101 194.513 -84.1108 0.0742712 GPRESSURE: 930000 176.74 -44.6876 181.949 -62.3594 -2.25861 -142.537 228.506 56.3405 -4.61549 PRESSAVG: 930000 5.79616 -30.2817 -4.59283 -30.2816 -21.9168 -9.90717 -4.59285 -9.90715 -16.1564 GPRESSAVG: 930000 6.75595 -28.8608 -3.70848 -32.3417 -22.4871 -6.44955 -4.66288 -10.0586 -17.122 TIMING: 930000 CPU: 2940.78, 0.00320906/step Wall: 2940.78, 0.00320906/step, 3.62802 hours remaining, 237.042969 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: 930000 3967.2992 20610.3856 14376.3318 247.9183 -203779.9548 2593.5517 0.0000 0.0000 52056.9431 -109927.5251 299.1720 -161984.4682 -109562.5880 299.0961 24.9830 56.6221 762034.8570 -10.7590 -10.9510 PRESSURE: 930200 -297.439 168.383 124.182 168.383 -47.6168 -9.57629 124.182 -9.57515 -111.785 GPRESSURE: 930200 -182.167 89.7875 82.1793 58.5398 -59.4724 53.1291 156.112 7.65124 -130.451 PRESSAVG: 930200 4.89832 -24.0967 2.8516 -24.0967 61.3778 -13.1497 2.85166 -13.1496 19.7744 GPRESSAVG: 930200 5.40503 -26.5579 2.52189 -23.2696 61.0592 -13.6311 4.76167 -12.0206 20.4944 TIMING: 930200 CPU: 2941.42, 0.00321033/step Wall: 2941.42, 0.00321033/step, 3.62928 hours remaining, 237.042969 MB of memory in use. ENERGY: 930200 3952.9353 20521.5251 14573.4554 236.0679 -203704.9417 2579.7666 0.0000 0.0000 51970.6512 -109870.5403 298.6760 -161841.1914 -109510.6576 298.7877 -152.2801 -124.0303 760779.3767 28.6835 28.9862 PRESSURE: 930400 253.62 -228.15 -49.8185 -228.15 75.0183 43.379 -49.8181 43.3787 286.374 GPRESSURE: 930400 181.522 -221.951 -31.8623 -81.4655 191.899 -68.6046 -4.96684 174.951 312.187 PRESSAVG: 930400 57.7372 -87.6001 80.9293 -87.6 -6.44144 23.9806 80.9293 23.9806 30.7539 GPRESSAVG: 930400 57.6264 -84.9186 81.4866 -86.8084 -5.0477 21.9687 79.469 24.7571 29.7494 TIMING: 930400 CPU: 2942.06, 0.00318402/step Wall: 2942.06, 0.00318401/step, 3.59935 hours remaining, 237.042969 MB of memory in use. ENERGY: 930400 3958.4791 20685.8938 14493.8811 232.3011 -204006.4789 2800.5580 0.0000 0.0000 52050.3946 -109784.9712 299.1343 -161835.3658 -109426.0298 298.8931 205.0042 228.5362 760745.0847 27.3499 27.4427 PRESSURE: 930600 -72.5126 -141.525 213.874 -141.524 78.5539 183.447 213.874 183.447 -19.6163 GPRESSURE: 930600 28.669 -152.777 114.129 -188.274 99.3534 123.549 216.091 249.594 -75.777 PRESSAVG: 930600 9.30958 -10.2221 50.7201 -10.2221 -7.50812 -1.78159 50.7201 -1.78161 -22.0307 GPRESSAVG: 930600 9.11412 -8.43459 48.1765 -11.0257 -7.80629 -1.79723 51.6197 -1.10368 -21.7539 TIMING: 930600 CPU: 2942.69, 0.0031781/step Wall: 2942.69, 0.0031781/step, 3.59249 hours remaining, 237.042969 MB of memory in use. ENERGY: 930600 3942.5281 20592.3731 14508.9325 249.1797 -203528.1022 2608.6411 0.0000 0.0000 51841.7896 -109784.6581 297.9355 -161626.4477 -109422.5682 298.8430 -4.5250 17.4152 761104.2016 -6.7431 -6.8153 PRESSURE: 930800 89.0028 -42.6337 -65.847 -42.6347 42.4002 36.5934 -65.8469 36.5943 -337.842 GPRESSURE: 930800 187.811 20.9443 -106.152 -90.0036 49.6433 94.9125 -141.948 -145.212 -366.622 PRESSAVG: 930800 44.643 -0.457188 -16.5124 -0.457186 -21.2379 7.91775 -16.5124 7.91772 -35.9213 GPRESSAVG: 930800 45.4252 -2.61985 -14.1411 1.60262 -23.2334 8.9823 -18.6059 7.00393 -34.0866 TIMING: 930800 CPU: 2943.33, 0.00317362/step Wall: 2943.33, 0.00317362/step, 3.58724 hours remaining, 237.042969 MB of memory in use. ENERGY: 930800 4029.3342 20723.8562 14449.3995 246.8038 -203831.6203 2841.0950 0.0000 0.0000 52107.4621 -109433.6695 299.4623 -161541.1315 -109078.6638 298.9432 -68.8131 -43.0559 761731.1521 -4.1721 -3.9650 PRESSURE: 931000 208.177 -197.503 90.6199 -197.502 312.268 -173.68 90.6194 -173.68 -130.852 GPRESSURE: 931000 207.973 -179.086 88.0343 -233.394 340.267 -119.136 74.8383 -276.448 -84.544 PRESSAVG: 931000 -2.06165 -29.9212 -20.566 -29.9212 -7.8719 -11.7779 -20.5661 -11.7778 -3.94049 GPRESSAVG: 931000 -2.33428 -30.2317 -21.8567 -31.2664 -6.73046 -10.9891 -20.8119 -12.6519 -4.52701 TIMING: 931000 CPU: 2943.96, 0.00316971/step Wall: 2943.96, 0.00316971/step, 3.58266 hours remaining, 237.042969 MB of memory in use. ENERGY: 931000 3985.0865 20637.8259 14397.2130 273.9875 -203960.9875 3036.7993 0.0000 0.0000 52014.5527 -109615.5225 298.9283 -161630.0752 -109250.5945 299.3425 129.8644 154.5653 760625.9765 -4.6247 -4.5306 PRESSURE: 931200 -277.712 -215.349 -356.9 -215.348 318.124 65.4319 -356.901 65.4317 38.7138 GPRESSURE: 931200 -244.145 -225.108 -391.008 -60.0483 386.316 13.3493 -374.707 53.8937 30.9284 PRESSAVG: 931200 -0.192485 -39.5707 -26.6718 -39.5707 33.4224 20.3485 -26.6718 20.3485 -1.23417 GPRESSAVG: 931200 -1.09102 -38.8673 -26.6458 -39.6928 35.1304 18.9672 -22.836 22.3528 -1.82838 TIMING: 931200 CPU: 2944.6, 0.00317646/step Wall: 2944.6, 0.00317646/step, 3.5901 hours remaining, 237.042969 MB of memory in use. ENERGY: 931200 3951.6828 20697.4860 14461.5223 220.0155 -203967.2302 2892.5083 0.0000 0.0000 52125.9648 -109618.0504 299.5686 -161744.0153 -109265.8463 299.5776 26.3753 57.6999 758675.9732 10.6653 10.7370 PRESSURE: 931400 23.144 63.1068 -71.7781 63.1057 84.3132 75.4347 -71.7791 75.434 -231.181 GPRESSURE: 931400 98.7094 177.877 -101.845 11.1735 92.5674 75.8799 -131.26 -61.2594 -247.944 PRESSAVG: 931400 4.81962 21.6711 19.0666 21.6711 6.76612 -0.497854 19.0666 -0.497827 8.78317 GPRESSAVG: 931400 5.41385 22.0656 18.7822 21.7321 4.42166 0.123051 16.8883 -3.08726 10.4099 TIMING: 931400 CPU: 2945.23, 0.00319321/step Wall: 2945.23, 0.00319321/step, 3.60886 hours remaining, 237.042969 MB of memory in use. ENERGY: 931400 4057.5075 20624.1577 14446.6054 234.1335 -203990.3414 2626.4879 0.0000 0.0000 52203.3595 -109798.0898 300.0134 -162001.4494 -109430.4965 298.8588 -41.2412 -18.8890 759375.8860 6.7896 6.7485 PRESSURE: 931600 -468.015 206.609 32.6308 206.608 -231.423 26.7467 32.6296 26.7471 205.015 GPRESSURE: 931600 -213.436 106.4 35.1277 115.96 -338.345 115.153 16.0552 13.7068 145.202 PRESSAVG: 931600 21.2734 -30.9023 -39.5707 -30.9023 -1.60719 -36.3418 -39.5707 -36.3418 4.37027 GPRESSAVG: 931600 21.3274 -30.9577 -39.2611 -30.5519 -1.13893 -35.7584 -39.2011 -37.3177 4.4084 TIMING: 931600 CPU: 2945.87, 0.00319995/step Wall: 2945.87, 0.00319995/step, 3.6163 hours remaining, 237.042969 MB of memory in use. ENERGY: 931600 3979.4827 20558.9814 14374.2150 249.1735 -203667.5743 2438.5234 0.0000 0.0000 51931.3953 -110135.8030 298.4504 -162067.1983 -109775.4757 298.5811 -164.8076 -135.5262 759121.3886 8.0121 8.1990 PRESSURE: 931800 207.758 31.806 41.616 31.8065 -102.352 -61.9045 41.616 -61.9038 53.9684 GPRESSURE: 931800 63.8264 -90.9695 38.3159 43.7232 104.822 -57.3011 -37.4554 11.9507 41.0423 PRESSAVG: 931800 28.7493 -7.48558 -15.4721 -7.48551 2.27846 -24.5818 -15.4721 -24.5818 14.2129 GPRESSAVG: 931800 29.9115 -5.37898 -13.0222 -8.27516 1.97653 -24.441 -14.4919 -22.8451 14.2329 TIMING: 931800 CPU: 2946.51, 0.00318788/step Wall: 2946.51, 0.00318788/step, 3.60248 hours remaining, 237.042969 MB of memory in use. ENERGY: 931800 4045.0904 20698.1851 14423.5388 230.7300 -204131.3078 2822.0097 0.0000 0.0000 52061.1696 -109850.5841 299.1963 -161911.7537 -109495.8957 298.0809 53.1248 69.8970 760149.6068 15.0802 15.3737 PRESSURE: 932000 128.796 -13.4934 -20.264 -13.4942 -105.736 76.7783 -20.2634 76.7789 43.2494 GPRESSURE: 932000 116.475 100.782 17.0977 8.95098 0.956715 76.5855 -12.2845 52.8105 44.1731 PRESSAVG: 932000 -45.0818 -9.74219 -13.6352 -9.74221 62.9041 -31.5098 -13.6353 -31.5098 -4.92785 GPRESSAVG: 932000 -46.2911 -10.9851 -15.4837 -8.65101 64.756 -32.2213 -13.0224 -30.6701 -5.29754 TIMING: 932000 CPU: 2947.15, 0.00318094/step Wall: 2947.15, 0.00318094/step, 3.59446 hours remaining, 237.042969 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: 932000 4058.1186 20636.5721 14405.4285 238.4130 -204159.2256 2894.0745 0.0000 0.0000 52082.2854 -109844.3336 299.3176 -161926.6189 -109484.9409 299.1247 22.1031 53.8684 759593.1865 4.2982 4.3891 PRESSURE: 932200 -409.114 121.921 -69.2947 121.921 43.2081 95.8405 -69.2954 95.8398 80.7574 GPRESSURE: 932200 -278.941 134.835 -164.956 46.7506 -28.4943 85.0584 -38.8253 94.5724 110.119 PRESSAVG: 932200 -17.3282 -44.3234 -3.01059 -44.3234 24.8131 -38.3098 -3.01057 -38.3097 -4.06596 GPRESSAVG: 932200 -16.3608 -44.3605 -2.34306 -45.1392 24.4952 -38.0975 -3.43 -39.551 -4.33154 TIMING: 932200 CPU: 2947.78, 0.00313923/step Wall: 2947.78, 0.00313923/step, 3.54716 hours remaining, 237.042969 MB of memory in use. ENERGY: 932200 3987.2390 20523.6737 14408.3974 251.2513 -203643.1107 2496.1899 0.0000 0.0000 51972.1186 -110004.2408 298.6845 -161976.3594 -109633.9171 298.7549 -95.0495 -65.7721 759183.9305 1.1397 1.2676 LDB: ============= START OF LOAD BALANCING ============== 2960.23 LDB: ============== END OF LOAD BALANCING =============== 2960.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2960.23 LDB: ============= START OF LOAD BALANCING ============== 2960.55 LDB: Largest compute 7038 load 0.035994 is 18.5% of average load 0.195009 LDB: Average compute 0.004389 is 2.3% of average load 0.195009 LDB: TIME 2960.55 LOAD: AVG 0.195009 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.363 MB LDB: TIME 2960.55 LOAD: AVG 0.195009 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: TIME 2960.55 LOAD: AVG 0.195009 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: ============== END OF LOAD BALANCING =============== 2960.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2960.56 PRESSURE: 932400 25.2942 -131.661 -168.783 -131.661 99.0233 -52.7847 -168.783 -52.7845 -16.4838 GPRESSURE: 932400 19.2293 -146.7 -123.261 -149.77 154.495 37.7383 -279.025 -19.8065 26.161 PRESSAVG: 932400 -5.85874 1.16024 -29.7904 1.16025 67.9688 24.1946 -29.7905 24.1945 -7.90737 GPRESSAVG: 932400 -5.66878 2.22109 -31.0307 2.7871 67.4548 25.7345 -30.4125 23.8076 -7.40939 TIMING: 932400 CPU: 2948.42, 0.0032416/step Wall: 2948.42, 0.0032416/step, 3.66264 hours remaining, 235.761719 MB of memory in use. ENERGY: 932400 3950.5222 20520.8915 14435.1008 263.3372 -203811.0284 2679.7363 0.0000 0.0000 51975.4395 -109986.0008 298.7036 -161961.4404 -109618.6966 298.4909 35.9446 66.6285 760560.5282 18.0676 18.1255 PRESSURE: 932600 -166.132 243.558 3.84446 243.559 -47.6531 273.148 3.84448 273.149 113.315 GPRESSURE: 932600 -132.675 232.054 -135.852 281.145 16.805 285.117 104.509 184.804 73.5897 PRESSAVG: 932600 -57.0557 18.3729 -30.8832 18.3729 16.3104 33.3045 -30.8832 33.3045 -3.33935 GPRESSAVG: 932600 -57.71 16.5076 -30.5185 18.8993 16.887 31.7434 -29.8149 33.4289 -3.00199 TIMING: 932600 CPU: 2949.06, 0.00316744/step Wall: 2949.06, 0.00316744/step, 3.57868 hours remaining, 235.761719 MB of memory in use. ENERGY: 932600 3934.1830 20597.3242 14431.8444 221.2487 -203245.6470 2206.2245 0.0000 0.0000 51834.0075 -110020.8147 297.8908 -161854.8223 -109661.1061 298.8521 -33.4903 -14.0933 760252.4198 -14.6949 -14.6083 PRESSURE: 932800 -101.32 -266.066 129.464 -266.066 -476.788 -48.8323 129.463 -48.8321 -241.438 GPRESSURE: 932800 -69.6542 -171.256 119.624 -204.486 -507.331 17.1197 179.112 -105.239 -169.094 PRESSAVG: 932800 22.2422 -29.7584 1.15211 -29.7585 32.2022 26.7621 1.15205 26.7621 -24.3225 GPRESSAVG: 932800 22.6594 -28.6914 1.15813 -28.1201 31.3611 26.3803 0.747197 26.4036 -24.0462 TIMING: 932800 CPU: 2949.69, 0.00316914/step Wall: 2949.69, 0.00316914/step, 3.58042 hours remaining, 235.761719 MB of memory in use. ENERGY: 932800 4098.6271 20557.9408 14399.9810 219.0650 -203702.7710 2541.7125 0.0000 0.0000 51839.7149 -110045.7297 297.9236 -161885.4446 -109686.7450 298.0445 -273.1818 -248.6932 760800.4195 10.0406 9.9914 PRESSURE: 933000 -234.716 -26.91 -110.95 -26.9094 124.784 -28.2431 -110.949 -28.2439 -119.961 GPRESSURE: 933000 -224.126 12.6078 16.9883 94.2542 143.673 -2.85315 -133.798 -37.8732 -64.3597 PRESSAVG: 933000 -11.2666 28.4916 -20.39 28.4916 0.614421 12.3948 -20.39 12.3949 -7.95899 GPRESSAVG: 933000 -13.4611 27.2073 -20.4551 27.4979 2.33146 13.408 -20.9411 13.7993 -7.27058 TIMING: 933000 CPU: 2950.33, 0.00317513/step Wall: 2950.33, 0.00317513/step, 3.58702 hours remaining, 235.761719 MB of memory in use. ENERGY: 933000 4016.7837 20344.5150 14479.7497 256.4323 -203555.3625 2497.6424 0.0000 0.0000 52027.1697 -109933.0697 299.0009 -161960.2394 -109562.5166 298.5228 -76.6309 -48.2711 759031.4057 -6.2037 -6.1334 PRESSURE: 933200 -32.4819 32.0261 140.523 32.0267 211.401 41.1361 140.523 41.1358 343.821 GPRESSURE: 933200 134.272 82.5546 136.115 -90.8299 219.092 -31.1697 108.182 -16.5602 252.448 PRESSAVG: 933200 -7.38355 24.7776 -61.5441 24.7776 38.2629 1.50565 -61.5441 1.50563 10.239 GPRESSAVG: 933200 -5.41443 26.4683 -61.9662 24.1006 37.6443 2.94297 -62.1892 0.0244695 8.69973 TIMING: 933200 CPU: 2950.96, 0.00318287/step Wall: 2950.96, 0.00318287/step, 3.59559 hours remaining, 235.761719 MB of memory in use. ENERGY: 933200 3949.6446 20639.5261 14466.0743 245.9963 -203820.4799 2741.0557 0.0000 0.0000 52038.2909 -109739.8919 299.0648 -161778.1828 -109381.6259 298.9763 174.2468 201.9376 760679.4421 13.7061 13.6432 PRESSURE: 933400 -42.4641 316.567 105.274 316.566 -162.585 -25.9619 105.274 -25.9627 86.8754 GPRESSURE: 933400 -51.0965 239.425 136.215 279.147 -107.998 -34.4933 116.807 -73.5911 123.428 PRESSAVG: 933400 43.2148 -29.1192 -32.7935 -29.1192 -37.1471 52.9794 -32.7935 52.9794 -4.94428 GPRESSAVG: 933400 42.2833 -31.0309 -32.0247 -29.0773 -37.4609 52.2474 -30.5518 52.2623 -3.80393 TIMING: 933400 CPU: 2951.6, 0.00317336/step Wall: 2951.6, 0.00317336/step, 3.58467 hours remaining, 235.761719 MB of memory in use. ENERGY: 933400 3988.0244 20552.9918 14425.8933 253.8526 -203421.2292 2619.3499 0.0000 0.0000 51779.6277 -109801.4894 297.5782 -161581.1171 -109441.3946 298.6346 -39.3912 -11.8887 760213.8270 0.3745 0.3395 PRESSURE: 933600 -145.648 97.6636 71.104 97.6633 150.643 -108.613 71.1045 -108.612 106.152 GPRESSURE: 933600 -105.508 179.207 42.2879 107.836 175.566 -118.89 -50.0499 54.4524 113.041 PRESSAVG: 933600 -12.4263 -46.0576 -34.5801 -46.0576 -9.51638 17.0884 -34.5801 17.0885 5.23946 GPRESSAVG: 933600 -11.2774 -44.9818 -35.2269 -46.0828 -9.18713 14.6587 -34.8938 18.5651 3.47707 TIMING: 933600 CPU: 2952.24, 0.00319374/step Wall: 2952.24, 0.00319374/step, 3.60751 hours remaining, 235.761719 MB of memory in use. ENERGY: 933600 4008.3320 20391.1549 14392.2699 248.8626 -203772.0801 2706.3938 0.0000 0.0000 52320.3812 -109704.6858 300.6860 -162025.0670 -109341.8871 299.5114 37.0488 61.0329 758483.2930 -5.5677 -5.6625 PRESSURE: 933800 -223.434 47.1187 253.992 47.1191 25.5447 -110.655 253.991 -110.655 47.9365 GPRESSURE: 933800 -82.3131 12.0235 224.627 100.838 -72.0373 -75.4747 344.006 -234.851 105.672 PRESSAVG: 933800 65.533 -29.2313 85.5436 -29.2313 -62.501 7.17817 85.5436 7.17816 12.8129 GPRESSAVG: 933800 65.6771 -28.3616 87.2023 -29.7354 -64.6416 8.94247 82.503 7.38805 14.2464 TIMING: 933800 CPU: 2952.88, 0.0032121/step Wall: 2952.88, 0.0032121/step, 3.62807 hours remaining, 235.761719 MB of memory in use. ENERGY: 933800 4000.1341 20444.0731 14452.7063 256.4967 -203760.7017 2883.0369 0.0000 0.0000 52030.0188 -109694.2358 299.0172 -161724.2546 -109324.2421 299.0307 -49.9841 -16.2260 760047.9440 5.2816 5.0940 PRESSURE: 934000 105.996 -147.678 -102.049 -147.679 325.487 -99.53 -102.048 -99.5299 -253.78 GPRESSURE: 934000 120.136 -123.386 -9.40507 -70.347 345.807 -191.449 -123.217 -18.9667 -216.838 PRESSAVG: 934000 16.0543 -56.5774 40.0957 -56.5774 -37.6458 11.5352 40.0957 11.5352 0.928561 GPRESSAVG: 934000 15.263 -55.5562 39.4259 -56.9444 -36.4648 10.9916 42.2356 9.14324 0.659781 TIMING: 934000 CPU: 2953.51, 0.00316499/step Wall: 2953.51, 0.00316499/step, 3.57468 hours remaining, 235.761719 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: 934000 3963.7060 20433.6873 14462.6526 257.0166 -203883.9387 2768.5234 0.0000 0.0000 52257.7626 -109740.5902 300.3261 -161998.3528 -109368.4079 299.5033 59.2344 83.0350 759903.0856 -6.8876 -6.8474 PRESSURE: 934200 -297.082 -71.0753 -90.383 -71.0755 -521.839 56.4951 -90.3837 56.4954 -497.071 GPRESSURE: 934200 -204.957 -194.734 -1.93746 -187.067 -456.236 48.3785 -190.743 151.706 -590.798 PRESSAVG: 934200 47.1921 -11.8191 9.21516 -11.8191 -21.5577 30.4355 9.2152 30.4355 -5.16989 GPRESSAVG: 934200 48.0308 -12.3601 9.03034 -12.4121 -21.8887 32.3646 7.90297 31.2468 -5.7966 TIMING: 934200 CPU: 2954.14, 0.00314856/step Wall: 2954.14, 0.00314856/step, 3.55595 hours remaining, 235.761719 MB of memory in use. ENERGY: 934200 3970.0144 20643.8972 14433.2075 258.0482 -203096.1126 2261.2996 0.0000 0.0000 51863.1699 -109666.4759 298.0584 -161529.6458 -109305.0847 299.1829 -438.6639 -417.3303 760664.7202 6.8215 6.7818 PRESSURE: 934400 -71.4891 104.553 -143.128 104.553 -138.302 -127.473 -143.128 -127.473 -107.682 GPRESSURE: 934400 -19.5245 41.9656 -92.6639 67.2857 -65.6734 -199.049 -17.0701 -86.7749 -138.918 PRESSAVG: 934400 -5.37495 -48.6105 11.3259 -48.6105 -13.3356 -30.7534 11.326 -30.7533 6.83392 GPRESSAVG: 934400 -6.09697 -49.7511 10.6642 -47.2594 -12.6258 -32.392 14.0156 -30.9235 6.21072 TIMING: 934400 CPU: 2954.77, 0.00315753/step Wall: 2954.77, 0.00315753/step, 3.5659 hours remaining, 235.761719 MB of memory in use. ENERGY: 934400 3993.1781 20467.3283 14425.8992 253.6079 -203707.4549 2593.2357 0.0000 0.0000 52259.4811 -109714.7245 300.3360 -161974.2056 -109355.3942 298.8337 -105.8243 -74.7052 761267.3982 -3.9589 -4.1707 PRESSURE: 934600 185.7 331.098 141.529 331.098 92.5671 86.6945 141.529 86.6947 120.721 GPRESSURE: 934600 129.781 280.722 112.287 279.978 194.974 -34.9872 62.4107 159.764 150.013 PRESSAVG: 934600 -9.61923 0.166427 -3.8145 0.16642 -25.5199 30.2745 -3.81449 30.2745 35.423 GPRESSAVG: 934600 -9.9542 -1.76823 -2.61645 0.813451 -24.8415 30.4424 -4.15503 30.5496 34.8938 TIMING: 934600 CPU: 2955.41, 0.0031793/step Wall: 2955.41, 0.0031793/step, 3.59031 hours remaining, 235.761719 MB of memory in use. ENERGY: 934600 3995.7828 20638.0769 14407.8334 238.1984 -203506.3007 2425.7024 0.0000 0.0000 52110.6888 -109690.0181 299.4808 -161800.7069 -109330.7728 298.7284 132.9962 158.2560 761195.5330 0.0946 0.0327 PRESSURE: 934800 -78.4443 135.57 -18.413 135.57 -6.78165 -58.0137 -18.4132 -58.014 200.168 GPRESSURE: 934800 -86.8711 203.325 -49.5194 184.464 -8.67422 51.0078 -9.22338 -68.3616 271.156 PRESSAVG: 934800 20.9408 60.5727 -35.7434 60.5728 16.1574 20.8352 -35.7435 20.8352 0.182251 GPRESSAVG: 934800 22.0561 63.1043 -36.1563 60.3308 15.0889 21.4323 -37.3799 21.3954 -0.0807047 TIMING: 934800 CPU: 2956.04, 0.00315499/step Wall: 2956.04, 0.00315499/step, 3.56268 hours remaining, 235.761719 MB of memory in use. ENERGY: 934800 3977.6262 20786.7496 14404.2784 254.6503 -203338.9603 2457.4241 0.0000 0.0000 51935.6055 -109522.6262 298.4746 -161458.2316 -109165.3197 299.6054 38.3139 58.5369 761519.5864 12.4268 12.3548 PRESSURE: 935000 -28.9756 -113.942 -10.9016 -113.942 -200.281 -156.153 -10.9009 -156.155 -26.5651 GPRESSURE: 935000 -69.288 -126.282 71.6886 -134.871 -150.438 -128.588 37.7064 -66.7787 44.6991 PRESSAVG: 935000 0.414221 52.9175 22.3426 52.9175 -14.7479 -55.4038 22.3425 -55.4038 -23.9314 GPRESSAVG: 935000 -0.723567 54.534 22.152 49.5805 -14.2158 -56.2223 24.6125 -55.1128 -22.6455 TIMING: 935000 CPU: 2956.67, 0.00317325/step Wall: 2956.67, 0.00317325/step, 3.58313 hours remaining, 235.761719 MB of memory in use. ENERGY: 935000 4000.3417 20615.5444 14341.0107 260.5340 -203526.3546 2637.3063 0.0000 0.0000 52034.9907 -109636.6269 299.0458 -161671.6176 -109269.5207 298.9557 -85.2738 -58.3421 761030.6596 -12.7550 -12.5283 PRESSURE: 935200 -43.3727 116.533 77.3349 116.533 -501.057 -139.011 77.3342 -139.011 -359.149 GPRESSURE: 935200 -24.2856 195.478 111.39 71.1627 -435.538 -113.207 -28.9933 -228.19 -360.559 PRESSAVG: 935200 42.8504 -31.5238 -27.3534 -31.5238 2.26261 -39.5893 -27.3534 -39.5892 -11.2264 GPRESSAVG: 935200 43.6897 -33.1338 -28.4724 -28.7332 2.20654 -39.3511 -28.3578 -40.7594 -11.8778 TIMING: 935200 CPU: 2957.31, 0.00317958/step Wall: 2957.31, 0.00317958/step, 3.5901 hours remaining, 235.761719 MB of memory in use. ENERGY: 935200 4069.7530 20547.3157 14426.4743 258.8157 -203233.6516 2186.3597 0.0000 0.0000 52167.0130 -109577.9202 299.8045 -161744.9332 -109219.6917 299.3124 -301.1929 -273.4607 761043.1078 11.2955 11.3395 PRESSURE: 935400 71.931 65.6743 3.59427 65.6734 -65.3324 -19.6643 3.59468 -19.6657 -272.186 GPRESSURE: 935400 33.9973 131.51 -8.16595 -14.0417 -23.751 -48.6865 -0.629614 34.7738 -201.75 PRESSAVG: 935400 70.8531 8.67572 12.3018 8.67573 -81.5743 -43.2039 12.3018 -43.2039 -21.6513 GPRESSAVG: 935400 70.47 9.55656 13.1025 8.61345 -82.8465 -44.4534 13.8702 -41.2661 -20.1674 TIMING: 935400 CPU: 2957.95, 0.00320441/step Wall: 2957.95, 0.00320441/step, 3.61796 hours remaining, 235.761719 MB of memory in use. ENERGY: 935400 4016.7770 20468.9570 14472.6668 269.1088 -204022.8713 2841.7595 0.0000 0.0000 52183.3372 -109770.2651 299.8984 -161953.6022 -109408.2855 299.1806 -88.5290 -63.8345 759122.3778 -10.7908 -10.8479 PRESSURE: 935600 -290.823 -59.3862 -296.777 -59.3868 -130.454 -149.1 -296.776 -149.101 155.761 GPRESSURE: 935600 -177.094 -164.153 -282.831 -5.83687 -212.148 -83.8735 -307.05 -92.9999 207.228 PRESSAVG: 935600 33.1473 -13.9348 -0.445236 -13.9348 -46.9757 -56.5001 -0.445225 -56.5001 7.11409 GPRESSAVG: 935600 32.5845 -15.6504 -1.22418 -13.6171 -46.412 -55.9543 -0.00813838 -55.3426 6.9091 TIMING: 935600 CPU: 2958.59, 0.00319124/step Wall: 2958.59, 0.00319124/step, 3.60291 hours remaining, 235.761719 MB of memory in use. ENERGY: 935600 4044.0867 20632.1315 14407.6748 254.3439 -203796.1033 2851.8513 0.0000 0.0000 51907.5855 -109698.4298 298.3136 -161606.0153 -109342.5532 298.9663 -88.5052 -60.6714 760358.4653 -2.2381 -2.3061 PRESSURE: 935800 -36.8044 -51.5478 -97.3186 -51.5487 282.011 58.5003 -97.3183 58.5011 28.0474 GPRESSURE: 935800 107.99 -79.3687 -83.9401 -13.1182 146.821 -9.10058 -79.5293 88.1724 106.051 PRESSAVG: 935800 19.6103 -60.381 -0.93505 -60.3809 -20.6988 -39.3184 -0.935041 -39.3185 -25.0004 GPRESSAVG: 935800 20.87 -60.57 0.753471 -59.568 -22.0741 -41.6115 -2.19933 -40.0995 -25.2025 TIMING: 935800 CPU: 2959.23, 0.00319184/step Wall: 2959.23, 0.00319184/step, 3.60341 hours remaining, 235.761719 MB of memory in use. ENERGY: 935800 3997.1489 20515.6385 14411.3800 263.3477 -203854.3210 2825.1168 0.0000 0.0000 52155.0609 -109686.6282 299.7359 -161841.6891 -109324.6643 299.5862 91.0848 120.2873 760931.0941 -8.6963 -8.8022 PRESSURE: 936000 201.689 -100.499 -38.0934 -100.499 78.4563 -144.201 -38.0932 -144.201 234.719 GPRESSURE: 936000 245.325 -181.748 -66.9981 -143.824 76.2508 -81.9161 19.7427 -65.197 274.595 PRESSAVG: 936000 11.2081 -26.3684 -58.0304 -26.3684 22.6227 -3.30211 -58.0305 -3.302 20.6296 GPRESSAVG: 936000 10.6887 -27.3132 -57.1938 -26.1231 24.0918 -0.893902 -57.8071 -5.07989 19.7333 TIMING: 936000 CPU: 2959.87, 0.00320235/step Wall: 2959.87, 0.00320235/step, 3.61509 hours remaining, 235.761719 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: 936000 3938.2705 20465.3747 14434.0105 274.8943 -203627.4415 2846.6301 0.0000 0.0000 52053.4889 -109614.7726 299.1521 -161668.2615 -109252.8775 299.5655 171.6215 198.7236 759786.2955 18.1535 18.1713 PRESSURE: 936200 218.187 -113.489 63.502 -113.489 39.8334 25.2608 63.5021 25.262 -279.225 GPRESSURE: 936200 217.919 -116.002 70.4265 -96.4363 30.0546 29.7053 -20.708 -34.117 -210.6 PRESSAVG: 936200 5.13943 -41.8385 -77.0366 -41.8385 -10.5019 31.6402 -77.0366 31.6403 -4.30278 GPRESSAVG: 936200 4.80439 -38.6963 -77.8216 -43.0248 -11.221 30.9963 -78.1432 33.2236 -4.02898 TIMING: 936200 CPU: 2960.51, 0.00319509/step Wall: 2960.51, 0.00319509/step, 3.60672 hours remaining, 235.761719 MB of memory in use. ENERGY: 936200 4039.7966 20690.4493 14385.2668 250.6393 -203910.2976 3015.7488 0.0000 0.0000 51930.5362 -109597.8607 298.4455 -161528.3968 -109236.5296 298.8814 -7.0680 12.4580 761352.0561 -3.2218 -3.4819 LDB: ============= START OF LOAD BALANCING ============== 2972.96 LDB: ============== END OF LOAD BALANCING =============== 2972.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2972.97 LDB: ============= START OF LOAD BALANCING ============== 2973.29 LDB: Largest compute 7070 load 0.035933 is 18.4% of average load 0.195120 LDB: Average compute 0.004388 is 2.2% of average load 0.195120 LDB: TIME 2973.29 LOAD: AVG 0.19512 MAX 0.212285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.305 MB LDB: TIME 2973.29 LOAD: AVG 0.19512 MAX 0.212285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: TIME 2973.29 LOAD: AVG 0.19512 MAX 0.212285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: ============== END OF LOAD BALANCING =============== 2973.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2973.3 PRESSURE: 936400 -54.5785 13.3572 157.58 13.3571 78.2364 36.0849 157.581 36.0847 141.237 GPRESSURE: 936400 13.5615 63.5805 245.837 -122.071 50.6482 74.5751 98.4647 -11.9922 175.961 PRESSAVG: 936400 -15.4584 3.73019 -47.8433 3.73014 -10.4938 -9.5037 -47.8432 -9.50366 14.4123 GPRESSAVG: 936400 -16.1173 0.882521 -48.1021 4.01707 -10.0642 -6.49535 -48.1005 -10.9956 13.8129 TIMING: 936400 CPU: 2961.16, 0.00327162/step Wall: 2961.16, 0.00327162/step, 3.69293 hours remaining, 237.558594 MB of memory in use. ENERGY: 936400 3977.4742 20597.4064 14462.0983 244.3858 -203236.8745 2800.0520 0.0000 0.0000 51835.6212 -109319.8366 297.9000 -161155.4577 -108958.4527 299.3178 54.9648 80.0569 762767.2291 -3.8466 -4.1229 PRESSURE: 936600 -195.374 95.0509 -7.74108 95.0506 -204.992 185.117 -7.74095 185.117 88.3252 GPRESSURE: 936600 -122.161 28.3116 33.3025 72.5915 -171.428 159.911 -79.274 164.565 62.336 PRESSAVG: 936600 13.0585 -47.1464 -13.0292 -47.1464 31.1806 3.94284 -13.0292 3.94277 7.21774 GPRESSAVG: 936600 13.3331 -45.3624 -13.7676 -46.073 30.3651 3.25748 -11.8917 3.7725 7.24737 TIMING: 936600 CPU: 2961.79, 0.00316296/step Wall: 2961.79, 0.00316296/step, 3.57011 hours remaining, 237.964844 MB of memory in use. ENERGY: 936600 3962.6140 20537.4676 14470.2876 255.7916 -203013.8395 2613.0359 0.0000 0.0000 52102.8288 -109071.8140 299.4357 -161174.6429 -108704.6552 299.1184 -104.0137 -77.0841 764444.6660 17.1523 16.9819 PRESSURE: 936800 -343.582 159.48 17.3252 159.48 -228.962 86.0171 17.3256 86.018 0.497639 GPRESSURE: 936800 -265.259 191.352 -53.174 24.4839 -185.44 7.32829 -125.595 103.31 -48.2157 PRESSAVG: 936800 -16.1379 45.6738 -63.7866 45.6738 15.5689 5.42983 -63.7865 5.42991 3.68305 GPRESSAVG: 936800 -16.5122 46.6102 -63.4604 45.2478 15.9698 4.06577 -64.6073 4.92376 3.75946 TIMING: 936800 CPU: 2962.43, 0.00317562/step Wall: 2962.43, 0.00317562/step, 3.58422 hours remaining, 237.964844 MB of memory in use. ENERGY: 936800 3971.6242 20574.4512 14498.0255 229.4213 -202916.9359 2393.3100 0.0000 0.0000 52121.1187 -109128.9850 299.5408 -161250.1037 -108769.4365 299.4778 -190.6821 -166.3048 763694.9269 1.0380 1.0723 PRESSURE: 937000 132.194 -219.732 111.397 -219.732 376.513 69.6227 111.397 69.6219 65.2418 GPRESSURE: 937000 146.136 -246.724 132.486 -72.2326 401.092 82.57 211.158 53.6407 114.6 PRESSAVG: 937000 -86.9559 -19.6856 -79.9314 -19.6856 32.6489 27.482 -79.9315 27.482 14.6838 GPRESSAVG: 937000 -87.2447 -22.1907 -80.0901 -19.21 32.9802 27.4283 -79.7904 29.8566 14.751 TIMING: 937000 CPU: 2963.07, 0.00320597/step Wall: 2963.07, 0.00320597/step, 3.61829 hours remaining, 237.964844 MB of memory in use. ENERGY: 937000 3955.3977 20528.0592 14428.2501 236.3662 -203037.2654 2621.6526 0.0000 0.0000 52013.0130 -109254.5265 298.9195 -161267.5395 -108886.6887 299.3064 191.3165 220.6094 762607.8206 -13.2077 -13.1712 PRESSURE: 937200 -314.184 -46.6839 27.2096 -46.6837 -270.4 -35.8828 27.2096 -35.8821 -78.8854 GPRESSURE: 937200 -381.003 16.1487 -41.5252 -12.63 -159.389 -57.5841 -47.0225 28.9314 -76.4906 PRESSAVG: 937200 -9.68887 -31.2447 -14.7822 -31.2448 46.4243 31.2564 -14.7822 31.2564 -14.1567 GPRESSAVG: 937200 -8.97904 -29.4886 -15.6018 -30.7076 45.9514 31.7678 -14.2941 31.3194 -14.2602 TIMING: 937200 CPU: 2963.7, 0.00317019/step Wall: 2963.7, 0.00317019/step, 3.57773 hours remaining, 237.964844 MB of memory in use. ENERGY: 937200 4051.5507 20726.9998 14483.4244 243.4786 -202821.4388 2321.3584 0.0000 0.0000 51776.0746 -109218.5522 297.5578 -160994.6268 -108876.2760 298.8328 -221.1565 -205.6278 763288.9203 7.5262 7.5707 PRESSURE: 937400 -227.762 95.1346 128.757 95.1347 -14.4173 -158.261 128.757 -158.262 -463.771 GPRESSURE: 937400 -141.275 106.48 98.8854 113.19 3.51648 -139.527 99.7358 -96.9812 -480.984 PRESSAVG: 937400 -28.0412 -7.36794 4.9092 -7.36794 29.703 -32.4899 4.90918 -32.4899 38.2013 GPRESSAVG: 937400 -27.921 -8.49892 6.90931 -7.47181 29.8847 -33.6458 2.65842 -29.0948 38.1067 TIMING: 937400 CPU: 2964.34, 0.00319838/step Wall: 2964.34, 0.00319838/step, 3.60937 hours remaining, 237.964844 MB of memory in use. ENERGY: 937400 4051.5845 20514.6265 14507.6888 246.2427 -203276.1292 2605.6571 0.0000 0.0000 52167.6681 -109182.6616 299.8083 -161350.3297 -108817.5621 299.5279 -235.3168 -206.2475 762360.3883 13.2877 13.3568 PRESSURE: 937600 -94.7222 38.0828 -255.245 38.0831 10.9231 84.7369 -255.245 84.7378 33.5097 GPRESSURE: 937600 -123.836 -15.7598 -324.471 -69.2777 49.4181 33.3653 -123.207 4.63266 110.207 PRESSAVG: 937600 -38.3061 -20.0512 -70.1434 -20.0513 49.1156 19.9503 -70.1434 19.9504 4.04575 GPRESSAVG: 937600 -38.6739 -18.4118 -69.6657 -22.4877 50.4766 19.8375 -69.4398 16.9571 3.21351 TIMING: 937600 CPU: 2964.99, 0.00321937/step Wall: 2964.99, 0.00321937/step, 3.63289 hours remaining, 237.964844 MB of memory in use. ENERGY: 937600 4091.4328 20618.0183 14602.1191 246.3186 -203366.6049 2699.4537 0.0000 0.0000 51941.2019 -109168.0605 298.5068 -161109.2624 -108808.6628 299.5655 -16.7631 11.9296 761598.7433 4.9517 5.0054 PRESSURE: 937800 -60.3342 -113.261 -61.7928 -113.26 51.8568 -60.1097 -61.7928 -60.1094 -72.9423 GPRESSURE: 937800 21.0847 -159.056 -99.1085 -16.3088 12.6335 -51.7535 -75.3516 -81.1745 -42.0423 PRESSAVG: 937800 -16.2375 -41.4963 5.5675 -41.4963 4.00958 -23.4651 5.56752 -23.4652 -14.3225 GPRESSAVG: 937800 -17.3929 -43.6856 5.05333 -37.7668 3.93127 -23.163 5.83358 -25.1862 -13.145 TIMING: 937800 CPU: 2965.63, 0.00320409/step Wall: 2965.63, 0.00320409/step, 3.61546 hours remaining, 237.964844 MB of memory in use. ENERGY: 937800 4044.5856 20496.2564 14437.9036 236.5834 -203066.2278 2510.5393 0.0000 0.0000 52214.4554 -109125.9040 300.0772 -161340.3594 -108760.1412 299.7227 -27.1399 -2.7747 764913.5880 -8.8502 -8.8689 PRESSURE: 938000 106.133 -229.625 -42.9247 -229.625 192.255 -109.721 -42.9254 -109.721 369.743 GPRESSURE: 938000 170.439 -231.026 -9.38549 -116.732 234.412 -49.1241 -92.5719 19.7292 336.393 PRESSAVG: 938000 -7.18249 -10.7068 -62.8997 -10.7068 20.7288 -25.5368 -62.8997 -25.5368 -3.29656 GPRESSAVG: 938000 -7.06433 -10.18 -64.8246 -11.2339 20.3186 -25.3265 -62.7482 -26.4048 -3.32411 TIMING: 938000 CPU: 2966.26, 0.00317555/step Wall: 2966.26, 0.00317555/step, 3.58307 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 938000 4040.0172 20500.9499 14489.4200 247.7257 -203517.2185 3020.0324 0.0000 0.0000 52273.0439 -108946.0295 300.4139 -161219.0734 -108588.3219 299.4437 222.7102 247.0815 763206.8103 3.4166 3.3100 PRESSURE: 938200 -159.941 -81.7511 150.893 -81.7516 -382.581 -106.048 150.893 -106.049 316.286 GPRESSURE: 938200 -153.342 -35.2872 80.4785 -114.715 -339.168 -144.129 175.684 53.6748 375.653 PRESSAVG: 938200 -23.4313 -10.9651 41.1269 -10.9651 -8.80234 -7.12623 41.1269 -7.12617 -4.30712 GPRESSAVG: 938200 -23.784 -11.3725 41.7317 -11.4905 -8.98307 -7.6213 42.7897 -4.46327 -3.59167 TIMING: 938200 CPU: 2966.9, 0.00316523/step Wall: 2966.9, 0.00316523/step, 3.57126 hours remaining, 237.964844 MB of memory in use. ENERGY: 938200 4035.9136 20393.1671 14472.9795 259.8348 -202967.6570 2593.0918 0.0000 0.0000 51993.1464 -109219.5238 298.8053 -161212.6702 -108857.8455 299.6333 -75.4118 -38.9522 763668.3113 -12.1802 -12.1196 PRESSURE: 938400 -152.231 125.463 -7.95083 125.463 -372.813 -89.6947 -7.95087 -89.6953 -65.388 GPRESSURE: 938400 -175.458 133.81 40.5687 99.4304 -262.998 -29.4333 138.187 -17.982 -75.027 PRESSAVG: 938400 -10.8623 -6.93322 3.99543 -6.93317 8.90917 62.0977 3.99544 62.0977 3.42152 GPRESSAVG: 938400 -10.4476 -6.20848 4.48636 -8.50094 10.3866 62.827 2.85306 62.411 1.76836 TIMING: 938400 CPU: 2967.53, 0.00318237/step Wall: 2967.53, 0.00318237/step, 3.59042 hours remaining, 237.964844 MB of memory in use. ENERGY: 938400 3964.5415 20526.3587 14471.6919 246.5922 -203137.7254 2549.5392 0.0000 0.0000 51999.8122 -109379.1896 298.8436 -161379.0018 -109022.2665 299.4286 -196.8107 -171.1612 763820.8769 0.4895 0.5691 PRESSURE: 938600 70.0826 -129.546 184.497 -129.546 216.141 -189.456 184.496 -189.456 207.458 GPRESSURE: 938600 154.566 -13.9481 191.459 -130.152 162.373 -293.758 83.5161 -122.83 265.948 PRESSAVG: 938600 -20.6134 8.68373 66.1104 8.68368 59.779 -23.7916 66.1103 -23.7917 9.31072 GPRESSAVG: 938600 -20.0451 8.75189 65.0687 9.58593 58.4011 -23.7835 64.5118 -26.632 9.98109 TIMING: 938600 CPU: 2968.17, 0.00316539/step Wall: 2968.17, 0.00316539/step, 3.57109 hours remaining, 237.964844 MB of memory in use. ENERGY: 938600 3954.6278 20518.5581 14415.0083 247.3342 -203075.6281 2506.4107 0.0000 0.0000 52122.5126 -109311.1764 299.5488 -161433.6890 -108953.3417 299.1625 164.5604 194.2957 762164.6769 16.1588 16.1124 PRESSURE: 938800 107.469 71.1721 79.4395 71.1712 120.793 199.627 79.4394 199.626 -61.8523 GPRESSURE: 938800 140.203 114.097 75.2651 -8.45968 199.665 167.878 65.2503 138.017 -93.0764 PRESSAVG: 938800 -1.1623 69.4111 4.81456 69.4111 -41.8177 -64.1354 4.81454 -64.1353 -25.3069 GPRESSAVG: 938800 -0.426135 71.7308 5.88504 67.6235 -42.1795 -64.5153 2.58031 -62.8633 -25.6883 TIMING: 938800 CPU: 2968.8, 0.00316541/step Wall: 2968.8, 0.00316541/step, 3.57093 hours remaining, 237.964844 MB of memory in use. ENERGY: 938800 3974.0596 20518.7128 14444.3597 253.2905 -203512.4585 2590.4073 0.0000 0.0000 52274.5653 -109457.0633 300.4226 -161731.6287 -109090.5867 299.3314 55.4700 82.2639 762804.3416 -22.7623 -22.7646 PRESSURE: 939000 -257.074 171.887 -71.5536 171.887 157.533 -18.2729 -71.554 -18.2741 -47.4673 GPRESSURE: 939000 -127.986 156.003 -111.035 80.8873 139.89 -91.9668 54.5557 -99.0148 -58.0683 PRESSAVG: 939000 -53.5858 36.8071 28.1546 36.8071 37.6892 -11.9681 28.1546 -11.9681 5.39152 GPRESSAVG: 939000 -54.1748 35.2239 26.1681 38.636 37.9774 -12.0998 32.3661 -12.6194 5.92102 TIMING: 939000 CPU: 2969.43, 0.00317034/step Wall: 2969.43, 0.00317034/step, 3.57631 hours remaining, 237.964844 MB of memory in use. ENERGY: 939000 3986.9289 20484.8535 14382.8380 250.0131 -203159.5163 2561.1566 0.0000 0.0000 52144.3846 -109349.3416 299.6745 -161493.7262 -108989.2688 299.7176 -49.0028 -15.3880 761760.2613 -3.5017 -3.4254 PRESSURE: 939200 -137.57 121.027 -168.676 121.028 -39.0162 -43.9203 -168.676 -43.9191 -79.4489 GPRESSURE: 939200 -92.0672 38.8753 -41.4494 130.119 42.6134 -125.04 -173.053 32.0702 -129.028 PRESSAVG: 939200 -2.40284 7.08965 -55.6182 7.08957 51.9352 1.82615 -55.6182 1.82619 2.29333 GPRESSAVG: 939200 -2.19794 6.72314 -53.5663 7.13378 51.5307 2.95385 -56.0878 -0.323508 2.64944 TIMING: 939200 CPU: 2970.07, 0.0031768/step Wall: 2970.07, 0.0031768/step, 3.58343 hours remaining, 237.964844 MB of memory in use. ENERGY: 939200 4013.9942 20442.0257 14387.5698 249.8808 -203267.8590 2332.4435 0.0000 0.0000 52171.1517 -109670.7933 299.8283 -161841.9450 -109312.2612 299.1845 -85.3450 -59.4941 761058.7903 17.2752 17.3274 PRESSURE: 939400 -112.899 -57.6593 -93.3302 -57.659 231.837 263.658 -93.3285 263.659 37.2534 GPRESSURE: 939400 -54.9651 0.420439 -105.241 -16.6565 297.941 315.81 -252.609 176.839 -4.85428 PRESSAVG: 939400 -43.1004 39.6464 -63.5207 39.6464 37.0259 -2.92151 -63.5207 -2.9215 5.25087 GPRESSAVG: 939400 -40.8102 40.1455 -61.7545 40.7363 37.3375 -2.28613 -63.4279 -1.82222 3.39487 TIMING: 939400 CPU: 2970.7, 0.00316423/step Wall: 2970.7, 0.00316423/step, 3.56908 hours remaining, 237.964844 MB of memory in use. ENERGY: 939400 3934.5495 20441.7616 14360.6385 257.6321 -203362.2387 2626.8280 0.0000 0.0000 52333.9688 -109406.8602 300.7640 -161740.8290 -109035.4467 298.8655 52.0637 79.3739 762236.0170 -0.2746 -0.0259 PRESSURE: 939600 -197.375 28.4178 -11.2048 28.4171 -119.428 -212.645 -11.2048 -212.645 -55.4265 GPRESSURE: 939600 -234.06 47.2186 -55.4267 128.246 19.197 -309.313 3.62341 -237.05 -79.9428 PRESSAVG: 939600 -9.98243 -16.0589 -24.2573 -16.0589 42.9568 17.9139 -24.2573 17.9139 -39.6625 GPRESSAVG: 939600 -11.7751 -17.2672 -25.1215 -15.7017 42.8686 17.2467 -25.4628 20.7395 -37.971 TIMING: 939600 CPU: 2971.33, 0.00315838/step Wall: 2971.33, 0.00315838/step, 3.5623 hours remaining, 237.964844 MB of memory in use. ENERGY: 939600 4018.8910 20533.8974 14428.4172 255.2185 -203270.7525 2398.1177 0.0000 0.0000 52208.6600 -109427.5506 300.0439 -161636.2106 -109069.5132 299.6436 -124.0765 -98.2685 760788.2406 -2.2294 -2.2925 PRESSURE: 939800 -20.692 19.9235 -126.41 19.9228 187.932 -66.4152 -126.41 -66.4141 -28.6243 GPRESSURE: 939800 69.4474 -51.3553 -56.3868 70.8536 184.881 29.1861 -268.731 -75.8502 -13.0216 PRESSAVG: 939800 -36.6113 3.78012 -47.3762 3.78014 42.2049 -27.1278 -47.3762 -27.1279 28.9958 GPRESSAVG: 939800 -36.9641 3.30094 -49.262 5.32591 42.2587 -26.4487 -46.9011 -29.4904 29.3873 TIMING: 939800 CPU: 2971.97, 0.00317047/step Wall: 2971.97, 0.00317047/step, 3.57576 hours remaining, 237.964844 MB of memory in use. ENERGY: 939800 3979.6077 20509.0019 14419.7559 264.0258 -203199.5709 2547.0429 0.0000 0.0000 52007.4180 -109472.7186 298.8873 -161480.1367 -109111.2352 299.1563 46.2052 80.4357 759205.1772 11.5298 11.5607 PRESSURE: 940000 -243.887 137.048 306.936 137.048 -3.56489 131.105 306.936 131.104 57.8896 GPRESSURE: 940000 -124.541 178.009 289.036 100.557 -61.1575 157.771 117.939 86.8493 86.8013 PRESSAVG: 940000 5.44767 -6.22888 -27.3643 -6.22889 20.5116 -57.8913 -27.3643 -57.8913 -15.8381 GPRESSAVG: 940000 6.41453 -3.85924 -28.0432 -10.5012 19.3968 -58.345 -25.8754 -56.9349 -16.0208 TIMING: 940000 CPU: 2972.6, 0.00316214/step Wall: 2972.6, 0.00316214/step, 3.56619 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 940000 4010.7401 20588.7847 14468.6893 261.8609 -203226.6256 2478.0500 0.0000 0.0000 52042.8794 -109375.6211 299.0911 -161418.5005 -109014.7170 299.1517 -63.1873 -32.9656 759078.5720 3.3737 3.2635 PRESSURE: 940200 -330.174 142.21 -73.691 142.21 -370.785 -72.2274 -73.6914 -72.2255 -102.624 GPRESSURE: 940200 -293.28 174.998 -38.16 153.643 -364.061 -9.8657 -138.419 -32.9611 -77.1567 PRESSAVG: 940200 43.6423 -45.3177 -12.8245 -45.3178 -47.5782 0.316627 -12.8244 0.316669 -5.12339 GPRESSAVG: 940200 42.489 -46.8834 -14.0286 -42.8168 -47.422 1.1372 -13.3324 -1.08844 -3.80319 TIMING: 940200 CPU: 2973.24, 0.00317862/step Wall: 2973.24, 0.00317862/step, 3.5846 hours remaining, 237.964844 MB of memory in use. ENERGY: 940200 3918.4280 20660.6000 14453.8233 237.9085 -202974.5575 2319.1335 0.0000 0.0000 52262.7694 -109121.8949 300.3549 -161384.6643 -108764.1284 299.7516 -267.8609 -244.8323 762008.8382 -3.0198 -2.9121 LDB: ============= START OF LOAD BALANCING ============== 2985.69 LDB: ============== END OF LOAD BALANCING =============== 2985.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2985.69 LDB: ============= START OF LOAD BALANCING ============== 2986.01 LDB: Largest compute 7070 load 0.037113 is 19.0% of average load 0.195108 LDB: Average compute 0.004366 is 2.2% of average load 0.195108 LDB: TIME 2986.02 LOAD: AVG 0.195108 MAX 0.214078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 2986.02 LOAD: AVG 0.195108 MAX 0.214078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 2986.02 LOAD: AVG 0.195108 MAX 0.214078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 2986.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2986.02 PRESSURE: 940400 -102.231 61.1742 305.618 61.1747 57.2111 30.8535 305.618 30.8544 115.053 GPRESSURE: 940400 -105.912 135.85 304.652 -51.7161 100.483 -86.4945 177.738 150.546 164.998 PRESSAVG: 940400 -9.44009 0.468356 -71.5509 0.46831 26.1334 5.64446 -71.551 5.64452 -13.6534 GPRESSAVG: 940400 -8.97969 1.83766 -68.0449 -0.0908713 27.3863 2.96465 -73.8498 6.56996 -15.1854 TIMING: 940400 CPU: 2973.89, 0.00325502/step Wall: 2973.89, 0.00325502/step, 3.67058 hours remaining, 237.691406 MB of memory in use. ENERGY: 940400 3965.8232 20575.4744 14389.2344 266.5668 -202640.4038 2442.8527 0.0000 0.0000 52033.0534 -108967.3990 299.0347 -161000.4524 -108609.3272 299.8801 23.3446 53.1896 760244.8486 1.0133 1.0738 PRESSURE: 940600 -333.64 -100.583 -180.05 -100.583 28.3129 1.56821 -180.05 1.56889 -244.549 GPRESSURE: 940600 -306.578 -50.3121 -215.365 -24.9913 93.511 -10.1189 -26.0682 30.4554 -253.436 PRESSAVG: 940600 20.8535 -39.7944 -53.2064 -39.7944 -10.5466 -25.5048 -53.2064 -25.5048 -12.578 GPRESSAVG: 940600 21.7771 -41.0872 -56.1024 -39.8461 -12.8705 -24.9005 -50.4123 -26.186 -11.8937 TIMING: 940600 CPU: 2974.53, 0.00322553/step Wall: 2974.53, 0.00322553/step, 3.63714 hours remaining, 237.691406 MB of memory in use. ENERGY: 940600 3976.3187 20569.3254 14439.5011 239.6705 -202598.5785 2226.1667 0.0000 0.0000 52282.7471 -108864.8490 300.4697 -161147.5962 -108499.6086 300.0763 -183.2920 -155.5010 761158.2661 -0.7570 -0.9957 PRESSURE: 940800 -519.416 -154.977 -14.3167 -154.976 41.1409 81.4677 -14.3166 81.4673 -299.234 GPRESSURE: 940800 -486.036 -207.687 -20.0573 -70.494 -8.73178 107.827 -5.37773 169.549 -202.536 PRESSAVG: 940800 -44.3436 25.0899 -21.5021 25.0898 47.9745 -25.3515 -21.5021 -25.3514 0.477701 GPRESSAVG: 940800 -46.4104 23.5695 -21.1178 27.4629 50.8486 -24.7782 -22.3233 -26.2587 -0.0868447 TIMING: 940800 CPU: 2975.17, 0.00320775/step Wall: 2975.17, 0.00320775/step, 3.61692 hours remaining, 237.691406 MB of memory in use. ENERGY: 940800 3937.0329 20600.8641 14463.2360 263.0407 -202672.6654 2251.9533 0.0000 0.0000 52363.2926 -108793.2458 300.9326 -161156.5384 -108421.9906 300.7711 -259.1698 -232.4347 762644.4981 1.3695 1.4504 PRESSURE: 941000 174.507 -80.6166 -19.5849 -80.6165 191.4 -248.879 -19.5844 -248.879 -475.757 GPRESSURE: 941000 220.093 -36.2477 0.0715165 -86.1783 207.37 -252.362 -108.748 -176.4 -459.087 PRESSAVG: 941000 -7.18815 -1.90292 -31.8088 -1.90293 -15.2573 19.1644 -31.8088 19.1644 24.3636 GPRESSAVG: 941000 -6.1833 -0.825248 -30.8127 -2.50152 -16.0128 18.0682 -31.7037 21.9965 24.3234 TIMING: 941000 CPU: 2975.82, 0.00321809/step Wall: 2975.82, 0.00321809/step, 3.6284 hours remaining, 237.691406 MB of memory in use. ENERGY: 941000 4020.8706 20715.9428 14476.2532 245.6536 -203213.9826 2586.0315 0.0000 0.0000 52540.8922 -108628.3388 301.9532 -161169.2310 -108267.3898 300.6330 -36.6165 -10.5415 761255.7466 0.6394 0.7091 PRESSURE: 941200 8.97025 -165.257 -106.84 -165.256 333.65 124.881 -106.841 124.881 79.4123 GPRESSURE: 941200 -19.8859 -217.633 -80.1219 -163.044 476.511 195.63 -135.499 126.168 49.5385 PRESSAVG: 941200 6.57404 -30.2254 -25.2027 -30.2255 25.9282 -20.7291 -25.2027 -20.7291 -25.0099 GPRESSAVG: 941200 7.12053 -30.4468 -25.9103 -31.069 26.1316 -19.8126 -23.2396 -21.9389 -25.37 TIMING: 941200 CPU: 2976.46, 0.00319725/step Wall: 2976.46, 0.00319725/step, 3.60472 hours remaining, 237.691406 MB of memory in use. ENERGY: 941200 3988.7104 20562.1606 14502.9092 246.6556 -203579.7832 2903.9325 0.0000 0.0000 52430.0056 -108945.4093 301.3160 -161375.4148 -108579.2176 300.9390 140.6774 168.7211 760174.3430 2.4975 2.6274 PRESSURE: 941400 99.2692 87.3311 -127.96 87.3317 -67.9312 -84.99 -127.961 -84.9879 117.59 GPRESSURE: 941400 137.905 73.1943 -86.8298 98.329 16.5949 -85.155 -79.3984 -20.8321 84.3419 PRESSAVG: 941400 10.9011 -12.7615 -35.3708 -12.7615 5.25902 -5.66067 -35.3709 -5.66067 11.1054 GPRESSAVG: 941400 11.456 -12.334 -34.4522 -14.6003 4.57095 -6.51415 -38.7288 -7.39154 11.8807 TIMING: 941400 CPU: 2977.09, 0.00315727/step Wall: 2977.09, 0.00315727/step, 3.55948 hours remaining, 237.691406 MB of memory in use. ENERGY: 941400 3999.3233 20453.0469 14516.4076 244.1810 -203071.2562 2481.4191 0.0000 0.0000 52285.1655 -109091.7127 300.4836 -161376.8783 -108721.2802 300.0167 49.6426 79.6139 761118.1141 9.0885 9.3025 PRESSURE: 941600 -122.142 200.384 -155.368 200.384 -319.839 221.878 -155.368 221.877 -128.379 GPRESSURE: 941600 -81.8825 211.281 -35.5741 276.631 -246.304 218.076 -170.555 165.104 -158.259 PRESSAVG: 941600 -4.48096 54.7923 -14.4863 54.7923 1.7448 33.5343 -14.4863 33.5343 18.5075 GPRESSAVG: 941600 -4.40133 55.624 -14.8544 55.1723 1.84991 34.2196 -12.5252 34.4129 18.3814 TIMING: 941600 CPU: 2977.72, 0.00315989/step Wall: 2977.72, 0.00315989/step, 3.56225 hours remaining, 237.691406 MB of memory in use. ENERGY: 941600 4039.4709 20577.5846 14523.5389 229.2486 -202822.2829 2497.3885 0.0000 0.0000 51994.1292 -108960.9222 298.8110 -160955.0514 -108599.8624 300.0680 -190.1203 -162.1485 761829.8375 5.2571 5.2767 PRESSURE: 941800 71.0008 -84.2022 -126.662 -84.2022 -52.242 -194.681 -126.663 -194.681 27.685 GPRESSURE: 941800 66.7568 42.7739 -18.4915 -103.826 21.9482 -314.04 -260.394 -36.11 33.9664 PRESSAVG: 941800 10.7147 26.5355 -62.1521 26.5354 -38.0207 -46.4705 -62.1521 -46.4706 -14.5818 GPRESSAVG: 941800 9.6973 27.8241 -62.6226 26.7909 -36.8385 -48.6897 -62.4448 -43.844 -14.5185 TIMING: 941800 CPU: 2978.36, 0.00318757/step Wall: 2978.36, 0.00318757/step, 3.59327 hours remaining, 237.691406 MB of memory in use. ENERGY: 941800 4035.8862 20607.5536 14436.0957 229.0912 -203306.6930 2750.1325 0.0000 0.0000 52284.3074 -108963.6264 300.4786 -161247.9338 -108603.6483 299.9641 15.4813 40.8905 763048.0086 -13.9626 -13.8866 PRESSURE: 942000 -225.049 -169.479 66.7891 -169.479 -559.001 -116.078 66.7898 -116.078 -402.127 GPRESSURE: 942000 -191.396 -233.127 29.8016 -215.005 -519.039 -140.601 117.291 -113.48 -398.702 PRESSAVG: 942000 -7.34585 10.0066 -23.1055 10.0066 -4.41555 -13.8415 -23.1055 -13.8415 23.4944 GPRESSAVG: 942000 -6.42128 7.01169 -23.4405 9.76289 -5.90044 -12.5666 -25.05 -14.5075 23.9158 TIMING: 942000 CPU: 2979, 0.00320656/step Wall: 2979, 0.00320656/step, 3.61451 hours remaining, 237.691406 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: 942000 3992.6781 20645.4732 14437.4868 241.4604 -202531.7934 2112.9150 0.0000 0.0000 52225.8027 -108875.9772 300.1424 -161101.7800 -108505.8755 300.1433 -395.3922 -369.7125 763595.2555 3.9110 3.8647 PRESSURE: 942200 -256.953 -160.293 46.8295 -160.293 0.717379 -18.4733 46.8307 -18.4734 171.642 GPRESSURE: 942200 -278.958 -274.745 -9.39326 -117.47 132.616 56.8733 123.419 -162.826 129.447 PRESSAVG: 942200 -12.0626 -29.798 -23.9513 -29.798 -57.584 -31.4396 -23.9513 -31.4396 7.66924 GPRESSAVG: 942200 -13.3274 -28.8404 -24.0985 -30.2331 -57.0279 -30.3396 -22.6461 -32.3509 8.38845 TIMING: 942200 CPU: 2979.64, 0.00319968/step Wall: 2979.64, 0.00319968/step, 3.60658 hours remaining, 237.691406 MB of memory in use. ENERGY: 942200 4012.5720 20412.0525 14418.0478 254.9544 -203234.3358 2730.4639 0.0000 0.0000 52384.2851 -109021.9600 301.0532 -161406.2451 -108650.4642 300.0624 -28.1978 -5.6316 762651.6124 -20.6591 -20.6556 PRESSURE: 942400 47.852 -146.395 -239.193 -146.395 544.926 13.8436 -239.192 13.8439 47.1707 GPRESSURE: 942400 153.057 -140.313 -202.163 -24.9503 536.04 -28.3544 -223.979 74.5163 35.3528 PRESSAVG: 942400 14.5531 -55.6406 31.5401 -55.6406 24.2401 -43.0261 31.5401 -43.0261 -13.3139 GPRESSAVG: 942400 15.579 -54.2829 32.771 -53.642 23.9323 -44.0015 33.5557 -45.5507 -13.9843 TIMING: 942400 CPU: 2980.28, 0.00320371/step Wall: 2980.28, 0.00320371/step, 3.61094 hours remaining, 237.691406 MB of memory in use. ENERGY: 942400 3949.6973 20519.0198 14435.2052 231.6640 -203202.9536 3086.8839 0.0000 0.0000 52116.7067 -108863.7767 299.5154 -160980.4833 -108503.5899 300.2830 213.3164 241.4833 762688.8323 8.4931 8.5090 PRESSURE: 942600 -69.2372 196.881 -96.0195 196.881 -101.228 -50.1706 -96.0195 -50.1713 -83.4522 GPRESSURE: 942600 -106.019 62.0472 -96.8782 206.437 15.4135 -161.918 41.5915 -15.3194 -103.105 PRESSAVG: 942600 -20.7427 -57.4198 7.82845 -57.4197 28.4291 -24.3209 7.82842 -24.3209 25.2224 GPRESSAVG: 942600 -21.5964 -58.696 8.57863 -59.0116 28.6471 -23.219 7.11123 -24.0758 25.5624 TIMING: 942600 CPU: 2980.92, 0.00319739/step Wall: 2980.92, 0.00319739/step, 3.60364 hours remaining, 237.691406 MB of memory in use. ENERGY: 942600 3994.5777 20404.1838 14426.1978 233.5258 -202835.5061 2477.4288 0.0000 0.0000 52261.2041 -109038.3882 300.3459 -161299.5923 -108670.4069 299.7684 -84.6391 -64.5703 763074.6859 10.9696 10.8710 PRESSURE: 942800 12.1518 -172.327 352.327 -172.326 53.3461 -244.779 352.327 -244.78 -280.669 GPRESSURE: 942800 -40.6345 -204.929 365.827 -170.453 139.677 -209.595 390.134 -186.299 -236.587 PRESSAVG: 942800 -31.2371 -40.4745 -10.7294 -40.4744 36.6724 4.27122 -10.7294 4.2713 -7.31728 GPRESSAVG: 942800 -31.575 -39.4771 -11.9913 -42.4486 36.9916 2.9029 -9.37657 6.73365 -7.53031 TIMING: 942800 CPU: 2981.56, 0.00319721/step Wall: 2981.56, 0.00319721/step, 3.60326 hours remaining, 237.691406 MB of memory in use. ENERGY: 942800 3977.8869 20525.8438 14494.5867 250.6369 -203046.1943 2430.8660 0.0000 0.0000 52318.6073 -109047.7668 300.6758 -161366.3740 -108687.4866 299.9309 -71.7236 -45.8481 761235.0611 -0.6273 -0.7046 PRESSURE: 943000 51.5811 -163.79 96.9991 -163.789 -120.18 -45.7345 96.9985 -45.7356 -219.718 GPRESSURE: 943000 33.4267 -3.5655 58.7223 -170.17 -96.5082 -24.8723 -50.6634 -30.218 -135.645 PRESSAVG: 943000 -46.3731 0.302356 35.3809 0.302333 65.1748 -23.2188 35.3809 -23.2189 1.14155 GPRESSAVG: 943000 -46.7278 -2.08442 35.4513 2.2164 65.3819 -22.7677 34.7375 -23.9182 1.51175 TIMING: 943000 CPU: 2982.2, 0.00320298/step Wall: 2982.2, 0.00320298/step, 3.60958 hours remaining, 237.691406 MB of memory in use. ENERGY: 943000 4075.5326 20384.9062 14540.4005 247.0127 -202775.8108 2161.7306 0.0000 0.0000 52101.0555 -109265.1726 299.4255 -161366.2281 -108900.1655 300.3434 -96.1058 -66.2422 761579.2742 6.6477 6.7219 PRESSURE: 943200 102.893 69.3597 61.7535 69.3613 42.4011 254.692 61.7527 254.692 -185.749 GPRESSURE: 943200 153.06 229.189 55.5507 -21.6291 20.0453 181.144 105.615 404.952 -144.566 PRESSAVG: 943200 -39.2106 -19.2702 10.3489 -19.2702 40.9166 29.2101 10.3489 29.2101 5.77924 GPRESSAVG: 943200 -37.9139 -17.3805 8.81824 -18.8515 39.9346 29.7086 10.7392 30.8439 5.90578 TIMING: 943200 CPU: 2982.84, 0.00321245/step Wall: 2982.84, 0.00321245/step, 3.62007 hours remaining, 237.691406 MB of memory in use. ENERGY: 943200 4019.6166 20485.3022 14394.8296 254.1791 -203352.7501 2702.7382 0.0000 0.0000 52252.4067 -109243.6777 300.2953 -161496.0844 -108881.8569 299.6969 -13.4850 9.5131 762030.0885 2.4951 2.6422 PRESSURE: 943400 -59.6578 -80.346 2.55756 -80.3454 34.6276 -15.8925 2.55748 -15.8936 86.9447 GPRESSURE: 943400 -67.7848 -61.3229 -102.523 -24.0242 182.928 10.3594 -11.3227 60.083 19.4579 PRESSAVG: 943400 -0.676441 22.6683 30.9844 22.6683 56.889 -13.5355 30.9844 -13.5355 6.16597 GPRESSAVG: 943400 -0.612542 22.2844 32.4766 22.2068 57.2172 -14.2396 29.5386 -15.134 5.80385 TIMING: 943400 CPU: 2983.49, 0.00322405/step Wall: 2983.49, 0.00322405/step, 3.63297 hours remaining, 237.691406 MB of memory in use. ENERGY: 943400 4002.4428 20506.5875 14496.7568 253.6524 -203586.7813 2770.6004 0.0000 0.0000 52108.6923 -109448.0491 299.4694 -161556.7414 -109090.0207 299.4513 20.6382 44.8670 760463.9900 20.7928 20.8028 PRESSURE: 943600 87.9666 301.367 181.02 301.368 -436.832 -3.06909 181.02 -3.06925 529.106 GPRESSURE: 943600 82.3527 244.58 156.565 198.246 -365.117 41.7039 171.181 -17.8446 548.621 PRESSAVG: 943600 -35.5453 16.8603 69.9767 16.8603 10.0049 17.1399 69.9767 17.1398 23.5283 GPRESSAVG: 943600 -35.5681 15.1167 69.1633 17.6059 10.1272 17.6914 70.8499 16.7968 23.6611 TIMING: 943600 CPU: 2984.13, 0.00319991/step Wall: 2984.13, 0.00319991/step, 3.60559 hours remaining, 237.691406 MB of memory in use. ENERGY: 943600 3981.0389 20513.6500 14400.5275 242.6134 -203574.1320 2636.2565 0.0000 0.0000 52459.8454 -109340.2002 301.4875 -161800.0456 -108973.1207 299.9837 60.0802 88.6190 760225.0338 -0.6707 -0.5933 PRESSURE: 943800 -518.552 -122.417 -82.4207 -122.418 -91.4798 71.5031 -82.4204 71.5028 395.034 GPRESSURE: 943800 -514.42 -46.6868 2.52198 -16.1743 -120.529 103.084 -102.307 54.8567 455.972 PRESSAVG: 943800 41.4635 37.1815 3.91127 37.1815 -20.8342 9.84419 3.91123 9.84421 -25.8081 GPRESSAVG: 943800 40.5042 37.8553 3.77762 36.9041 -21.7568 10.0008 4.23115 11.1794 -24.5337 TIMING: 943800 CPU: 2984.76, 0.00319126/step Wall: 2984.76, 0.00319126/step, 3.59566 hours remaining, 237.691406 MB of memory in use. ENERGY: 943800 4016.8146 20582.3374 14407.1390 276.0900 -203221.8686 2439.8913 0.0000 0.0000 52036.5786 -109463.0177 299.0549 -161499.5963 -109093.2638 299.3846 -71.6656 -59.6592 762532.2658 -1.7262 -1.9288 PRESSURE: 944000 -300.882 -50.1032 -181.288 -50.1031 -21.6637 -47.291 -181.288 -47.2928 -78.4265 GPRESSURE: 944000 -237.457 -27.536 -168.995 -137.351 24.6637 -28.6263 -243.511 -7.43106 -105.091 PRESSAVG: 944000 38.719 14.0401 -12.8588 14.0401 -3.42524 -4.80667 -12.8588 -4.80669 -2.7686 GPRESSAVG: 944000 40.2213 14.1511 -11.5456 12.9423 -3.91734 -4.00196 -12.2259 -6.47804 -3.77282 TIMING: 944000 CPU: 2985.4, 0.00318221/step Wall: 2985.4, 0.00318221/step, 3.58529 hours remaining, 237.691406 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: 944000 4007.4177 20458.2063 14444.1435 233.6289 -203203.3289 2531.6207 0.0000 0.0000 52072.1531 -109456.1587 299.2594 -161528.3118 -109101.3588 299.2995 -133.6574 -105.9613 762684.5560 10.8417 10.8437 PRESSURE: 944200 -220.446 -108.868 120.85 -108.868 -310.742 67.3331 120.85 67.3339 -111.295 GPRESSURE: 944200 -171.645 -174.804 183.14 -119.55 -278.448 70.1781 58.1806 66.0795 -123.343 PRESSAVG: 944200 -31.3242 -2.58351 31.9874 -2.58352 6.57128 25.1729 31.9875 25.1729 13.5629 GPRESSAVG: 944200 -31.4953 -3.278 34.5421 -1.6149 6.51374 23.8548 29.9882 26.1227 13.555 TIMING: 944200 CPU: 2986.04, 0.00319785/step Wall: 2986.04, 0.00319784/step, 3.60273 hours remaining, 237.691406 MB of memory in use. ENERGY: 944200 3997.8389 20471.0935 14354.5380 236.1723 -202779.4473 2107.6101 0.0000 0.0000 52114.5861 -109497.6083 299.5032 -161612.1944 -109124.5743 298.9240 -214.1610 -191.1449 761014.6646 -3.7300 -3.8089 LDB: ============= START OF LOAD BALANCING ============== 2998.5 LDB: ============== END OF LOAD BALANCING =============== 2998.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2998.5 LDB: ============= START OF LOAD BALANCING ============== 2998.82 LDB: Largest compute 7034 load 0.036177 is 18.5% of average load 0.195054 LDB: Average compute 0.004400 is 2.3% of average load 0.195054 LDB: TIME 2998.82 LOAD: AVG 0.195054 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.625 MB LDB: TIME 2998.82 LOAD: AVG 0.195054 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.723 MB LDB: TIME 2998.82 LOAD: AVG 0.195054 MAX 0.213339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.723 MB LDB: ============== END OF LOAD BALANCING =============== 2998.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2998.83 PRESSURE: 944400 119.169 -5.30071 -134.505 -5.30135 169.644 -219.954 -134.505 -219.955 -75.0724 GPRESSURE: 944400 117.137 -44.581 -152.415 47.0158 168.755 -206.19 -141.462 -311.716 6.90803 PRESSAVG: 944400 -36.6392 -15.484 12.1701 -15.484 45.0555 -75.4335 12.1701 -75.4335 -24.0152 GPRESSAVG: 944400 -37.609 -15.4625 8.31094 -14.8797 45.9056 -75.8486 13.8711 -74.1367 -23.6203 TIMING: 944400 CPU: 2986.69, 0.00326452/step Wall: 2986.69, 0.00326452/step, 3.67766 hours remaining, 239.101562 MB of memory in use. ENERGY: 944400 3948.9568 20556.1600 14428.3873 251.6257 -203376.2410 2461.3538 0.0000 0.0000 52053.5400 -109676.2174 299.1524 -161729.7573 -109317.1837 299.0908 71.2467 97.6001 759266.4750 -5.1996 -5.1079 PRESSURE: 944600 -276.675 111.744 -86.0439 111.743 -256.747 66.7552 -86.0447 66.7552 -254.912 GPRESSURE: 944600 -185.947 13.1432 -173.126 109.221 -290.453 91.9142 -122.742 91.4153 -228.728 PRESSAVG: 944600 -26.8504 40.4787 13.9447 40.4786 22.4353 -20.7404 13.9448 -20.7403 -9.02535 GPRESSAVG: 944600 -27.1535 42.4214 14.5772 38.4663 23.6305 -18.7149 13.6231 -21.586 -9.82219 TIMING: 944600 CPU: 2987.33, 0.00315961/step Wall: 2987.33, 0.00315961/step, 3.5593 hours remaining, 239.304688 MB of memory in use. ENERGY: 944600 4034.1467 20338.9006 14363.8075 251.7496 -202916.1926 2240.4967 0.0000 0.0000 52056.7156 -109630.3760 299.1707 -161687.0916 -109267.4132 299.2461 -262.7781 -235.0428 761112.0918 -4.4801 -4.4484 PRESSURE: 944800 -209.024 -56.1049 -190.862 -56.104 -70.8539 -144.848 -190.863 -144.848 311.753 GPRESSURE: 944800 -141.197 -32.002 -178.485 26.8568 -81.2483 -169.306 -111.272 -23.6284 322.508 PRESSAVG: 944800 23.6538 71.097 -43.6161 71.0969 -49.8805 7.24373 -43.6161 7.24378 6.0314 GPRESSAVG: 944800 23.5431 68.7752 -44.9255 73.0492 -50.567 4.7663 -42.4482 7.41221 6.97125 TIMING: 944800 CPU: 2987.96, 0.00317698/step Wall: 2987.96, 0.00317698/step, 3.5787 hours remaining, 239.304688 MB of memory in use. ENERGY: 944800 3960.6228 20644.2089 14354.9244 248.5875 -203457.5365 2674.0339 0.0000 0.0000 51956.2236 -109618.9354 298.5931 -161575.1590 -109262.5701 298.8319 10.6251 33.3544 762419.0113 -6.7317 -6.6842 PRESSURE: 945000 209.861 307.517 -57.9479 307.517 157.951 4.55334 -57.9465 4.55405 24.1655 GPRESSURE: 945000 196.408 382.733 -33.1855 346.849 212.061 -3.21506 -84.4699 8.97733 64.3752 PRESSAVG: 945000 1.24433 18.1162 -6.33348 18.1162 -12.1393 7.79822 -6.33356 7.79827 -26.8287 GPRESSAVG: 945000 0.756859 20.2872 -3.77275 16.8807 -11.4128 8.39052 -8.08909 6.96022 -27.0526 TIMING: 945000 CPU: 2988.6, 0.00319889/step Wall: 2988.6, 0.0031989/step, 3.6032 hours remaining, 239.304688 MB of memory in use. ENERGY: 945000 3995.7169 20577.0428 14328.9457 241.5715 -203559.3596 2769.5155 0.0000 0.0000 52042.2829 -109604.2842 299.0877 -161646.5672 -109249.8821 299.0881 130.6591 157.6148 760268.3393 -12.5746 -12.5695 PRESSURE: 945200 64.8279 4.43296 178.661 4.43346 102.077 47.7184 178.662 47.7183 151.075 GPRESSURE: 945200 123.865 -24.9476 143.471 -119.813 99.3696 98.0999 228.602 -35.1196 156.266 PRESSAVG: 945200 22.6011 -26.9022 -22.3076 -26.9022 2.29367 32.0245 -22.3076 32.0246 -2.32429 GPRESSAVG: 945200 22.6682 -26.931 -22.8724 -26.9839 1.14771 32.7039 -22.8998 33.3518 -1.21642 TIMING: 945200 CPU: 2989.24, 0.00319619/step Wall: 2989.24, 0.00319619/step, 3.59998 hours remaining, 239.304688 MB of memory in use. ENERGY: 945200 3955.7377 20555.3576 14375.3504 242.8309 -203648.4905 2683.8731 0.0000 0.0000 52154.7159 -109680.6248 299.7339 -161835.3407 -109312.8862 299.5671 105.9931 126.5003 761489.0922 7.5235 7.5332 PRESSURE: 945400 165.948 126.832 -198.261 126.832 -100.308 -226.997 -198.261 -226.997 153.512 GPRESSURE: 945400 227.854 128.907 -282.504 111.803 -35.8535 -168.285 -136.652 -161.939 115.696 PRESSAVG: 945400 -7.39719 35.884 -7.06648 35.884 -5.07409 -43.3039 -7.06645 -43.3038 29.4556 GPRESSAVG: 945400 -5.41823 34.2064 -5.14619 35.6 -5.88275 -42.4961 -6.76412 -42.5295 27.7386 TIMING: 945400 CPU: 2989.88, 0.00321321/step Wall: 2989.88, 0.00321321/step, 3.61896 hours remaining, 239.304688 MB of memory in use. ENERGY: 945400 3980.1482 20462.5935 14428.2899 236.4974 -203503.6705 2909.8162 0.0000 0.0000 51883.1020 -109603.2235 298.1729 -161486.3255 -109236.9101 299.1068 73.0506 102.5654 761725.3240 5.6614 5.4792 PRESSURE: 945600 224.626 104.477 40.1086 104.476 42.9815 -202.762 40.1079 -202.763 134.911 GPRESSURE: 945600 100.777 -0.236518 45.7492 31.617 125.763 -209.432 113.028 -237.797 248.589 PRESSAVG: 945600 25.9738 -18.9198 -31.04 -18.9198 -31.0673 -24.8854 -31.0401 -24.8855 6.43076 GPRESSAVG: 945600 22.7957 -18.2779 -33.2899 -18.9869 -29.7441 -26.2427 -28.7117 -26.7186 8.40951 TIMING: 945600 CPU: 2990.52, 0.00320661/step Wall: 2990.52, 0.00320661/step, 3.61135 hours remaining, 239.304688 MB of memory in use. ENERGY: 945600 4004.8376 20524.5886 14438.4575 237.5367 -203498.7498 2683.2189 0.0000 0.0000 51978.8191 -109631.2914 298.7230 -161610.1105 -109271.4767 298.8592 134.1728 158.3763 760744.8452 0.4458 0.4870 PRESSURE: 945800 79.9418 -97.8847 210.344 -97.8859 107.941 -248.994 210.344 -248.995 380.328 GPRESSURE: 945800 200.954 11.0229 269.186 -124.301 105.234 -223.097 138.994 -307.661 338.974 PRESSAVG: 945800 58.0436 5.61248 -42.232 5.61251 -42.1843 -20.526 -42.232 -20.526 33.3002 GPRESSAVG: 945800 60.843 5.26838 -42.0221 5.85216 -42.7189 -20.4616 -43.8039 -20.2893 30.971 TIMING: 945800 CPU: 2991.16, 0.00319722/step Wall: 2991.16, 0.00319722/step, 3.60061 hours remaining, 239.304688 MB of memory in use. ENERGY: 945800 4005.5865 20615.7122 14381.3357 253.9761 -203653.5367 2742.5591 0.0000 0.0000 52188.3448 -109466.0222 299.9271 -161654.3670 -109109.3678 298.7531 189.4037 215.0537 759964.4932 16.3865 16.3651 PRESSURE: 946000 -22.6621 38.5171 29.256 38.518 172.896 127.689 29.2555 127.69 11.3981 GPRESSURE: 946000 25.1879 110.347 53.6739 -41.2179 105.491 143.4 -0.150552 112.693 124.652 PRESSAVG: 946000 3.88641 10.1868 -23.5628 10.1868 -23.0093 -30.7953 -23.5629 -30.7953 -13.8658 GPRESSAVG: 946000 2.89624 10.3837 -23.2272 11.3388 -22.8409 -30.1094 -22.5909 -31.5524 -12.999 TIMING: 946000 CPU: 2991.8, 0.00319436/step Wall: 2991.8, 0.00319436/step, 3.5972 hours remaining, 239.304688 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: 946000 3943.2122 20466.1098 14307.4472 234.3431 -203197.3581 2429.3295 0.0000 0.0000 52148.1887 -109668.7275 299.6964 -161816.9161 -109299.4572 299.1201 53.8774 85.1101 760929.1737 -10.9962 -10.9812 PRESSURE: 946200 -157.564 -79.7551 -113.844 -79.7559 -184.288 76.4457 -113.845 76.4464 222.902 GPRESSURE: 946200 -166.195 -60.0414 -165.59 -74.2583 -113.409 96.1586 -236.027 156.053 235.178 PRESSAVG: 946200 87.9361 19.791 -17.8474 19.7909 -65.3026 -6.54285 -17.8474 -6.54276 -7.94036 GPRESSAVG: 946200 86.641 19.6772 -15.1247 18.4575 -64.3785 -7.18184 -21.5317 -3.15468 -7.83345 TIMING: 946200 CPU: 2992.44, 0.00320741/step Wall: 2992.44, 0.00320741/step, 3.61172 hours remaining, 239.304688 MB of memory in use. ENERGY: 946200 3962.7129 20469.2830 14436.7472 252.8745 -203391.9281 2580.2381 0.0000 0.0000 51942.6323 -109747.4400 298.5150 -161690.0724 -109389.3458 298.6258 -39.6499 -14.8088 761635.7863 4.8977 4.8097 PRESSURE: 946400 -25.0043 196.757 211.063 196.758 597.64 47.4203 211.063 47.4201 27.1027 GPRESSURE: 946400 27.2919 193.251 165.426 164.852 607.371 61.3949 113.956 85.4693 61.1642 PRESSAVG: 946400 -14.8438 27.8969 -23.6489 27.8969 5.0327 -11.2377 -23.6489 -11.2377 11.5904 GPRESSAVG: 946400 -14.1037 27.9375 -27.0852 29.8507 4.94613 -10.6147 -20.7461 -14.0295 10.8002 TIMING: 946400 CPU: 2993.08, 0.00320737/step Wall: 2993.08, 0.00320737/step, 3.6115 hours remaining, 239.304688 MB of memory in use. ENERGY: 946400 3997.4214 20284.1366 14463.4892 238.6659 -203852.9443 2944.3174 0.0000 0.0000 52204.4421 -109720.4716 300.0196 -161924.9138 -109349.8580 298.9439 199.9128 231.9425 761151.0745 0.5931 0.5476 PRESSURE: 946600 67.255 -32.9333 172.414 -32.9338 89.8479 -106.822 172.413 -106.822 224.865 GPRESSURE: 946600 79.4634 -41.1959 130.062 58.3431 150.017 -37.1147 172.473 -82.8646 244.258 PRESSAVG: 946600 23.3565 -36.8631 -45.2391 -36.8631 -1.72759 -12.6854 -45.2391 -12.6854 9.2542 GPRESSAVG: 946600 23.7715 -35.8467 -44.8792 -36.5095 -1.88066 -12.1085 -45.3818 -13.3863 9.54184 TIMING: 946600 CPU: 2993.73, 0.00320136/step Wall: 2993.73, 0.00320136/step, 3.60455 hours remaining, 239.304688 MB of memory in use. ENERGY: 946600 3933.1112 20255.7837 14451.2162 246.5909 -203463.2125 2645.0355 0.0000 0.0000 52049.4456 -109882.0293 299.1289 -161931.4749 -109518.4871 298.5205 127.3226 157.9128 760193.6524 10.2944 10.4776 PRESSURE: 946800 97.7874 -71.65 123.034 -71.6504 -111.653 103.677 123.034 103.677 59.4382 GPRESSURE: 946800 147.381 -60.4519 154.95 -74.4796 -102.362 31.8763 99.4306 114.87 87.6137 PRESSAVG: 946800 -0.890178 -4.15582 -17.0675 -4.15582 -0.992218 -64.1406 -17.0675 -64.1406 -22.4564 GPRESSAVG: 946800 -2.98143 -2.94374 -16.2437 -4.18297 0.280506 -66.1088 -19.6211 -61.4152 -22.0045 TIMING: 946800 CPU: 2994.36, 0.0031868/step Wall: 2994.36, 0.0031868/step, 3.58798 hours remaining, 239.304688 MB of memory in use. ENERGY: 946800 3962.8201 20444.3426 14465.9947 238.6592 -203466.9609 2479.5567 0.0000 0.0000 52000.4163 -109875.1713 298.8471 -161875.5876 -109517.4432 298.3519 15.1909 44.2111 762534.1261 -8.1129 -8.2351 PRESSURE: 947000 285.244 -40.3379 -88.9766 -40.3381 -49.9452 198.374 -88.976 198.373 1.18952 GPRESSURE: 947000 309.305 -58.8075 -97.3634 -191.104 -18.5261 194.499 -57.1718 75.2568 15.691 PRESSAVG: 947000 9.4827 -38.6149 25.8239 -38.6149 23.1656 16.1885 25.8239 16.1884 12.416 GPRESSAVG: 947000 12.3954 -40.1186 25.2019 -40.0689 20.7523 17.3494 28.5607 14.235 12.4929 TIMING: 947000 CPU: 2995, 0.0031926/step Wall: 2995, 0.0031926/step, 3.59433 hours remaining, 239.304688 MB of memory in use. ENERGY: 947000 3959.7288 20433.3602 14445.8281 262.6508 -203700.8570 2682.1329 0.0000 0.0000 52199.1030 -109718.0534 299.9890 -161917.1564 -109358.3810 298.5726 78.8295 102.1565 760593.0904 15.0214 15.2136 PRESSURE: 947200 181.397 174.935 -65.5364 174.934 136.037 70.539 -65.5351 70.5401 -246.704 GPRESSURE: 947200 163.367 156.305 -148.811 71.5214 158.184 85.4815 -89.7609 82.7679 -182.121 PRESSAVG: 947200 -2.23049 -13.3354 1.33705 -13.3355 -18.0526 37.1088 1.337 37.1087 22.6632 GPRESSAVG: 947200 -3.87051 -12.5187 -0.0998127 -13.0493 -16.0058 37.3521 -1.45283 38.0697 22.0233 TIMING: 947200 CPU: 2995.64, 0.00318838/step Wall: 2995.64, 0.00318838/step, 3.58941 hours remaining, 239.304688 MB of memory in use. ENERGY: 947200 3984.0812 20464.9963 14348.9757 262.1531 -203350.2198 2516.1313 0.0000 0.0000 52194.7518 -109579.1304 299.9640 -161773.8822 -109209.0112 298.6489 23.5764 46.4767 761764.1070 0.7934 0.7157 PRESSURE: 947400 109.479 73.3561 -82.4378 73.3555 -279.067 239.335 -82.4388 239.335 -104.16 GPRESSURE: 947400 91.7054 89.7553 -125.242 12.2298 -197.923 236.686 54.2174 155.144 -77.8037 PRESSAVG: 947400 0.461187 5.35147 -59.0416 5.35146 3.00335 44.4128 -59.0416 44.4128 -12.4559 GPRESSAVG: 947400 0.447141 4.07852 -57.5212 6.81906 2.27921 43.577 -58.1364 43.5207 -12.225 TIMING: 947400 CPU: 2996.27, 0.00316332/step Wall: 2996.27, 0.00316331/step, 3.56101 hours remaining, 239.304688 MB of memory in use. ENERGY: 947400 4023.2425 20510.6129 14368.9245 241.6737 -203209.2184 2262.5567 0.0000 0.0000 52216.5785 -109585.6296 300.0894 -161802.2081 -109214.1961 299.4201 -91.2492 -61.3404 761588.7912 -2.9971 -3.1662 PRESSURE: 947600 -76.104 112.06 35.1815 112.059 193.971 -45.0392 35.181 -45.0385 -36.668 GPRESSURE: 947600 -14.2017 62.6909 81.2431 183.57 175.623 -92.3259 46.3798 29.467 33.4733 PRESSAVG: 947600 -5.5001 -9.12867 9.88897 -9.12864 -30.9035 29.4597 9.88894 29.4597 -28.6327 GPRESSAVG: 947600 -4.25495 -9.05836 10.3074 -7.96467 -31.374 28.8722 9.81464 29.6796 -28.9125 TIMING: 947600 CPU: 2996.9, 0.00315592/step Wall: 2996.9, 0.00315593/step, 3.55252 hours remaining, 239.304688 MB of memory in use. ENERGY: 947600 3992.0165 20535.5263 14451.1215 240.5090 -203521.3513 2608.3287 0.0000 0.0000 52078.7319 -109615.1173 299.2972 -161693.8493 -109249.5548 299.3935 27.0664 64.9647 761521.5869 -21.6788 -21.5138 PRESSURE: 947800 -133.252 -224.314 0.859307 -224.314 121.888 -185.259 0.858594 -185.259 130.087 GPRESSURE: 947800 -128.363 -75.7025 -4.38898 -85.0624 157.547 -88.1588 93.7669 -55.8693 182.111 PRESSAVG: 947800 -3.3892 -5.43623 -16.6984 -5.43623 -4.35464 25.4252 -16.6984 25.4251 -15.8768 GPRESSAVG: 947800 -3.53258 -4.35192 -16.3016 -6.01876 -4.69553 25.4091 -17.6841 27.3513 -15.1913 TIMING: 947800 CPU: 2997.53, 0.00315422/step Wall: 2997.53, 0.00315422/step, 3.55042 hours remaining, 239.304688 MB of memory in use. ENERGY: 947800 3957.9192 20414.0956 14485.5818 245.2170 -203673.9082 2744.4265 0.0000 0.0000 51979.5553 -109847.1128 298.7272 -161826.6682 -109473.1037 299.0806 39.5746 70.4319 759978.3695 -7.8736 -7.8065 PRESSURE: 948000 12.172 206.903 -92.1522 206.902 2.3432 335.592 -92.1533 335.592 -74.5456 GPRESSURE: 948000 22.1603 137.627 -28.0816 166.198 52.698 302.314 0.352232 324.922 -70.6267 PRESSAVG: 948000 -5.653 6.25299 -31.8984 6.25306 14.4919 -1.69642 -31.8983 -1.69637 1.94384 GPRESSAVG: 948000 -5.98052 5.63705 -32.9461 4.44272 14.418 -2.641 -28.896 -2.91997 2.17335 TIMING: 948000 CPU: 2998.16, 0.00315712/step Wall: 2998.16, 0.00315712/step, 3.55351 hours remaining, 239.304688 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: 948000 3984.9956 20607.3073 14411.8008 245.6510 -203559.3294 2661.0771 0.0000 0.0000 51849.4106 -109799.0869 297.9793 -161648.4975 -109440.9799 298.1617 -20.0101 1.4105 761689.7843 3.5942 3.5370 PRESSURE: 948200 -281.596 -183.032 23.671 -183.031 -36.5008 -247.703 23.6723 -247.705 -354.056 GPRESSURE: 948200 -273.154 -152.119 -17.6898 -123.832 87.1593 -268.943 -26.4743 -187.811 -408.38 PRESSAVG: 948200 -10.956 -17.7928 15.2411 -17.7929 18.5345 17.5833 15.2411 17.5833 16.1749 GPRESSAVG: 948200 -12.0999 -17.2943 16.2961 -15.6362 19.5073 18.7014 12.7469 17.7121 15.6322 TIMING: 948200 CPU: 2998.8, 0.00317513/step Wall: 2998.8, 0.00317513/step, 3.5736 hours remaining, 239.304688 MB of memory in use. ENERGY: 948200 4066.1616 20299.3579 14497.3479 252.6002 -203503.9069 2468.6703 0.0000 0.0000 52046.8142 -109872.9548 299.1138 -161919.7690 -109510.6777 298.1140 -224.0511 -198.1248 760847.4975 7.9178 7.6798 LDB: ============= START OF LOAD BALANCING ============== 3011.26 LDB: ============== END OF LOAD BALANCING =============== 3011.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3011.26 LDB: ============= START OF LOAD BALANCING ============== 3011.58 LDB: Largest compute 7034 load 0.037379 is 19.1% of average load 0.195211 LDB: Average compute 0.004368 is 2.2% of average load 0.195211 LDB: TIME 3011.58 LOAD: AVG 0.195211 MAX 0.213363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.988 MB LDB: TIME 3011.58 LOAD: AVG 0.195211 MAX 0.213363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.988 MB LDB: TIME 3011.58 LOAD: AVG 0.195211 MAX 0.213363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.988 MB LDB: ============== END OF LOAD BALANCING =============== 3011.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3011.59 PRESSURE: 948400 12.891 -247.819 -265.472 -247.819 18.1081 -29.1027 -265.472 -29.1033 -2.26246 GPRESSURE: 948400 29.6165 -324.426 -201.484 -199.277 47.1574 -9.25098 -207.117 -75.7177 48.778 PRESSAVG: 948400 -30.6225 -28.5017 5.92198 -28.5018 38.7776 -0.649382 5.92198 -0.649401 29.7501 GPRESSAVG: 948400 -29.4303 -29.7585 4.86793 -29.1611 37.3067 -1.09704 6.84527 -0.367213 30.6052 TIMING: 948400 CPU: 2999.45, 0.00326598/step Wall: 2999.45, 0.00326598/step, 3.67568 hours remaining, 236.273438 MB of memory in use. ENERGY: 948400 4027.2942 20457.1701 14381.5410 243.0831 -203308.6114 2515.2108 0.0000 0.0000 51953.9822 -109730.3301 298.5802 -161684.3122 -109366.6902 298.6696 9.5789 41.8506 758789.8954 12.6351 12.8272 PRESSURE: 948600 -11.25 -110.135 -132.754 -110.135 -58.9149 88.0554 -132.754 88.0561 -2.35176 GPRESSURE: 948600 27.6214 -80.4901 -129.643 -61.8853 13.4631 65.8634 -51.965 -19.5293 -16.8454 PRESSAVG: 948600 17.5554 -43.0105 22.4566 -43.0106 16.9697 -64.6474 22.4565 -64.6474 -2.92782 GPRESSAVG: 948600 17.6282 -41.0738 20.9326 -44.6456 18.4603 -64.905 22.2922 -66.0545 -4.39336 TIMING: 948600 CPU: 3000.08, 0.00314886/step Wall: 3000.08, 0.00314886/step, 3.54369 hours remaining, 236.273438 MB of memory in use. ENERGY: 948600 3948.5780 20559.4721 14386.6452 242.7463 -203546.4920 2885.6617 0.0000 0.0000 51926.4552 -109596.9334 298.4221 -161523.3886 -109235.2749 298.5220 -24.1722 8.0797 760317.5354 10.5324 10.5651 PRESSURE: 948800 -188.476 -6.737 -134.398 -6.73715 -82.5903 -102.8 -134.399 -102.798 -107.277 GPRESSURE: 948800 -37.6227 87.835 -158.915 87.4816 -149.013 -118.936 -98.2617 3.89712 -122.412 PRESSAVG: 948800 1.04713 -6.0674 82.6235 -6.06737 -58.7863 -15.0982 82.6235 -15.0983 -15.3563 GPRESSAVG: 948800 1.40668 -6.74246 83.9318 -4.53803 -59.9819 -13.4186 81.8732 -13.6454 -15.0816 TIMING: 948800 CPU: 3000.72, 0.00317146/step Wall: 3000.72, 0.00317146/step, 3.56895 hours remaining, 236.273438 MB of memory in use. ENERGY: 948800 4045.4130 20656.1843 14439.1341 258.5654 -202941.4427 2325.5906 0.0000 0.0000 51809.6469 -109406.9083 297.7508 -161216.5553 -109047.2063 298.6701 -126.1142 -103.0161 763589.7123 -24.3651 -24.5523 PRESSURE: 949000 -412.922 130.212 155.42 130.211 -141.519 -207.991 155.42 -207.992 -466.24 GPRESSURE: 949000 -375.4 23.9587 172.993 134.606 -91.3876 -154.091 196.152 -221.184 -468.738 PRESSAVG: 949000 -16.798 -24.3527 -15.4885 -24.3528 -0.554816 -4.28975 -15.4885 -4.28976 10.5504 GPRESSAVG: 949000 -17.642 -23.7662 -16.4753 -26.9349 -0.0473275 -5.26566 -13.9998 -5.08631 10.4485 TIMING: 949000 CPU: 3001.35, 0.00316297/step Wall: 3001.35, 0.00316297/step, 3.55922 hours remaining, 236.273438 MB of memory in use. ENERGY: 949000 4042.7426 20508.3266 14428.8795 242.8718 -203179.6213 2328.8176 0.0000 0.0000 52113.9052 -109514.0780 299.4993 -161627.9832 -109156.8770 299.2540 -340.2268 -311.8418 763378.8099 -2.2675 -2.4136 PRESSURE: 949200 -182.768 -124.474 156.591 -124.474 -291.408 -75.2772 156.59 -75.2779 -324.304 GPRESSURE: 949200 -158.729 -113.104 163.94 -16.4548 -243.83 -35.3672 54.152 68.9107 -313.956 PRESSAVG: 949200 17.633 -22.0348 27.7564 -22.0349 -15.7772 6.94832 27.7564 6.94827 -0.91263 GPRESSAVG: 949200 18.7986 -22.564 27.8549 -19.827 -16.9069 6.57682 28.1233 6.75171 -0.76072 TIMING: 949200 CPU: 3001.98, 0.00316209/step Wall: 3001.98, 0.00316209/step, 3.55805 hours remaining, 236.273438 MB of memory in use. ENERGY: 949200 3966.3501 20554.7601 14474.1579 249.1908 -203535.7711 2706.8304 0.0000 0.0000 52232.4294 -109352.0524 300.1805 -161584.4818 -108984.6060 299.3500 -266.1598 -238.8382 762392.7586 0.3144 0.3770 PRESSURE: 949400 92.3812 29.5297 133.263 29.5288 24.5824 216.555 133.262 216.554 -22.3887 GPRESSURE: 949400 201.559 -14.2485 216.531 96.816 6.40906 215.445 184.174 87.9985 -42.0187 PRESSAVG: 949400 43.6758 3.76912 -15.707 3.76914 -8.28368 -20.4808 -15.707 -20.4808 8.53666 GPRESSAVG: 949400 43.6435 3.58215 -14.3431 2.69709 -9.14072 -19.6503 -18.3636 -20.8622 8.97892 TIMING: 949400 CPU: 3002.62, 0.00317044/step Wall: 3002.62, 0.00317044/step, 3.56728 hours remaining, 236.273438 MB of memory in use. ENERGY: 949400 3901.3292 20554.4708 14475.0681 248.6756 -203173.0475 2627.5620 0.0000 0.0000 52159.3498 -109206.5920 299.7605 -161365.9418 -108844.7960 299.7623 31.5249 55.3166 761281.0778 14.6429 14.4939 PRESSURE: 949600 -247.315 -9.10755 -361.035 -9.10775 -113.159 143.102 -361.034 143.103 366.303 GPRESSURE: 949600 -169.822 -8.29531 -364.329 18.351 -58.9924 120.471 -345.082 63.0685 306.44 PRESSAVG: 949600 27.6459 63.0758 -23.6347 63.0758 -5.37253 -31.0911 -23.6347 -31.0911 19.0615 GPRESSAVG: 949600 28.2157 62.796 -24.7564 62.1875 -5.05334 -32.3607 -21.518 -29.1861 17.9483 TIMING: 949600 CPU: 3003.26, 0.00320147/step Wall: 3003.26, 0.00320147/step, 3.60201 hours remaining, 236.273438 MB of memory in use. ENERGY: 949600 3958.4729 20665.0203 14409.8274 246.1606 -203618.9925 2780.7285 0.0000 0.0000 52101.8703 -109456.9125 299.4302 -161558.7828 -109094.5575 299.7883 1.9432 25.8753 761539.6076 13.7783 13.7035 PRESSURE: 949800 -44.3992 257.5 91.526 257.5 -298.329 -213.201 91.5259 -213.202 -434.14 GPRESSURE: 949800 -41.5185 154.024 39.1159 205.766 -280.1 -253.293 173.867 -222.726 -374.596 PRESSAVG: 949800 27.209 33.4368 43.458 33.4368 -48.5559 5.75949 43.458 5.75946 5.98836 GPRESSAVG: 949800 25.206 32.1094 42.742 36.5178 -48.2892 4.20838 41.3355 6.63848 8.26008 TIMING: 949800 CPU: 3003.89, 0.00317287/step Wall: 3003.89, 0.00317287/step, 3.56965 hours remaining, 236.273438 MB of memory in use. ENERGY: 949800 3918.6118 20676.1600 14413.7241 258.6469 -203072.0117 2540.1985 0.0000 0.0000 51795.0521 -109469.6183 297.6669 -161264.6704 -109116.9538 299.5070 -258.9563 -232.0713 762299.7978 -5.1195 -4.9410 PRESSURE: 950000 463.498 -125.197 -221.379 -125.197 -278.972 -222.679 -221.379 -222.68 -560.659 GPRESSURE: 950000 372.333 -61.8758 -149.109 -132.649 -144.528 -158.318 -148.587 -119.834 -530.502 PRESSAVG: 950000 54.1636 -10.809 22.1203 -10.809 -56.3744 -42.5427 22.1203 -42.5428 -14.3168 GPRESSAVG: 950000 54.8542 -10.4747 24.0363 -11.618 -55.5646 -41.891 22.3608 -44.1991 -15.5682 TIMING: 950000 CPU: 3004.52, 0.00316715/step Wall: 3004.52, 0.00316715/step, 3.56304 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: 950000 3986.4448 20576.3853 14465.8717 246.5371 -203493.4287 2718.9031 0.0000 0.0000 52109.5318 -109389.7549 299.4742 -161499.2867 -109022.8216 299.3095 -125.3776 -100.8992 761619.0975 -5.5092 -5.4262 PRESSURE: 950200 43.5032 -6.79124 5.35507 -6.79188 -201.547 7.81721 5.35398 7.81667 -142.05 GPRESSURE: 950200 16.5275 1.44645 -21.4969 -28.1312 -141.657 -53.0489 -1.65524 -65.587 -86.1665 PRESSAVG: 950200 25.6095 -38.5633 -6.00186 -38.5633 -2.42191 0.911318 -6.00189 0.911341 15.2148 GPRESSAVG: 950200 23.8267 -36.7448 -6.79008 -39.67 -0.700874 0.451587 -5.54412 2.39591 15.0147 TIMING: 950200 CPU: 3005.16, 0.00319321/step Wall: 3005.16, 0.00319321/step, 3.59218 hours remaining, 236.273438 MB of memory in use. ENERGY: 950200 4005.4568 20647.1381 14464.7526 248.3409 -203523.1048 2790.4090 0.0000 0.0000 52084.9757 -109282.0317 299.3331 -161367.0074 -108930.8321 299.7759 -100.0314 -70.4321 759884.1746 12.8008 12.7135 PRESSURE: 950400 -180.934 250.076 -138.868 250.076 -197.824 -183.315 -138.869 -183.314 -504.605 GPRESSURE: 950400 -98.2046 131.666 -124.82 272.574 -301.344 -186.559 -151.247 -184.383 -396.735 PRESSAVG: 950400 28.9425 -9.20122 6.99403 -9.20123 -14.1393 -40.7289 6.99401 -40.7289 2.06866 GPRESSAVG: 950400 29.7383 -10.6946 6.91216 -9.63465 -15.8515 -39.1071 5.47116 -43.7194 2.50895 TIMING: 950400 CPU: 3005.8, 0.00318796/step Wall: 3005.8, 0.00318796/step, 3.5861 hours remaining, 236.273438 MB of memory in use. ENERGY: 950400 3975.9892 20694.4702 14389.4731 238.0724 -202649.6080 2157.4327 0.0000 0.0000 51868.4337 -109325.7367 298.0886 -161194.1704 -108983.1230 299.9551 -294.4541 -265.4280 761341.4362 5.6240 5.4652 PRESSURE: 950600 21.2861 -66.6713 -220.203 -66.6722 -172.761 -36.6595 -220.203 -36.6586 -262.998 GPRESSURE: 950600 38.8583 -29.7777 -309.045 -106.546 -144.249 11.8616 -176.199 68.5544 -206.395 PRESSAVG: 950600 2.84932 -23.8885 -18.641 -23.8884 -24.8596 20.9644 -18.641 20.9644 -10.2549 GPRESSAVG: 950600 3.50181 -24.4654 -21.3888 -22.8249 -24.3852 19.5592 -18.6291 21.4132 -11.6081 TIMING: 950600 CPU: 3006.44, 0.00317446/step Wall: 3006.44, 0.00317446/step, 3.57074 hours remaining, 236.273438 MB of memory in use. ENERGY: 950600 3911.8289 20708.9120 14403.8863 243.3752 -202991.7459 2244.2295 0.0000 0.0000 51886.3228 -109593.1912 298.1914 -161479.5140 -109233.9222 299.1632 -138.1576 -103.9284 759792.6775 -10.7551 -10.8305 PRESSURE: 950800 -233.337 -24.4229 100.671 -24.4232 -287.457 -176.939 100.67 -176.939 -307.766 GPRESSURE: 950800 -164.655 4.17649 134.697 -5.68577 -248.407 -16.1883 129.747 -165.556 -314.869 PRESSAVG: 950800 76.5491 13.1755 -26.7393 13.1755 -47.2107 -25.1381 -26.7393 -25.138 3.49833 GPRESSAVG: 950800 75.8792 13.6015 -24.2092 11.9481 -46.0952 -23.6051 -25.2152 -25.2007 3.28428 TIMING: 950800 CPU: 3007.08, 0.00320761/step Wall: 3007.08, 0.00320761/step, 3.60785 hours remaining, 236.273438 MB of memory in use. ENERGY: 950800 3949.9939 20792.6769 14344.3632 245.6568 -202985.7916 2183.9344 0.0000 0.0000 52024.4296 -109444.7367 298.9851 -161469.1664 -109087.0004 299.1050 -276.1868 -242.6438 759957.0444 10.9456 11.0228 PRESSURE: 951000 -208.717 -13.7044 -25.8443 -13.7043 -411.126 -70.1127 -25.8436 -70.1126 -86.3551 GPRESSURE: 951000 -120.179 -52.8755 -67.3514 -57.6667 -375.41 -48.7882 -18.9259 -165.851 -120.968 PRESSAVG: 951000 42.9635 28.4011 -67.4437 28.4012 -62.4747 12.9521 -67.4437 12.9521 9.24658 GPRESSAVG: 951000 44.3639 27.0505 -67.2863 29.4714 -63.4817 12.2312 -68.1529 14.467 9.41949 TIMING: 951000 CPU: 3007.72, 0.00319975/step Wall: 3007.72, 0.00319975/step, 3.59883 hours remaining, 236.273438 MB of memory in use. ENERGY: 951000 3946.8261 20723.3893 14291.1475 253.2589 -202972.3495 2186.5705 0.0000 0.0000 52142.2187 -109428.9384 299.6620 -161571.1571 -109070.7411 299.1325 -235.3992 -205.5189 761284.0089 -3.4216 -3.2328 PRESSURE: 951200 -136.877 -123.088 -104.334 -123.089 -186.735 114.212 -104.334 114.211 164.134 GPRESSURE: 951200 -65.174 43.8661 -80.6612 -110.325 -149.885 130.047 -1.0384 148.373 132.351 PRESSAVG: 951200 0.569371 4.19464 -1.66893 4.19458 -5.59012 6.12135 -1.66896 6.12136 2.72465 GPRESSAVG: 951200 0.431267 5.62677 -1.773 3.67981 -5.23811 6.50853 -1.17878 4.31984 2.4911 TIMING: 951200 CPU: 3008.35, 0.00317196/step Wall: 3008.35, 0.00317196/step, 3.56739 hours remaining, 236.273438 MB of memory in use. ENERGY: 951200 4036.5819 20623.0698 14398.2369 237.4439 -203297.9243 2480.6959 0.0000 0.0000 52016.3948 -109505.5010 298.9389 -161521.8958 -109141.0821 299.1867 -53.1592 -27.5693 760109.2263 -0.7654 -0.7719 PRESSURE: 951400 56.5766 -234.805 -14.208 -234.805 70.5099 -27.2246 -14.2081 -27.2244 93.1521 GPRESSURE: 951400 54.6461 -188.378 107.016 -184.11 139.357 50.5059 33.3335 -124.795 107.17 PRESSAVG: 951400 -13.1268 -21.677 20.8218 -21.6769 25.5153 -15.6625 20.8219 -15.6624 14.4305 GPRESSAVG: 951400 -14.5199 -21.2519 20.8795 -19.8975 26.5053 -15.5362 21.9149 -16.2813 14.5264 TIMING: 951400 CPU: 3008.99, 0.00318284/step Wall: 3008.99, 0.00318283/step, 3.57945 hours remaining, 236.273438 MB of memory in use. ENERGY: 951400 3962.3952 20541.2084 14332.9493 269.0262 -203120.1013 2499.5660 0.0000 0.0000 52013.4367 -109501.5196 298.9219 -161514.9563 -109134.6391 299.2135 73.4129 100.3910 759860.1589 8.9397 8.8373 PRESSURE: 951600 97.3984 133.221 -98.7588 133.222 76.2317 4.50606 -98.7587 4.50652 -339.806 GPRESSURE: 951600 81.6238 62.9121 -132.761 131.49 194.345 53.4191 -146.697 -9.30385 -341.596 PRESSAVG: 951600 19.6927 10.2919 -30.1138 10.2919 15.3342 29.9404 -30.1138 29.9405 -2.05165 GPRESSAVG: 951600 20.1835 10.3954 -29.1769 7.95263 13.298 30.2498 -30.548 31.2305 -0.499566 TIMING: 951600 CPU: 3009.62, 0.00317447/step Wall: 3009.62, 0.00317447/step, 3.56987 hours remaining, 236.273438 MB of memory in use. ENERGY: 951600 3995.0489 20407.6927 14384.4549 249.9903 -203563.4068 2811.8450 0.0000 0.0000 52119.7039 -109594.6712 299.5327 -161714.3750 -109218.2383 298.8587 -55.3920 -21.8758 760172.5043 10.9918 10.9940 PRESSURE: 951800 76.8613 -31.1949 -229.011 -31.1948 114.566 -75.558 -229.012 -75.5589 -251.351 GPRESSURE: 951800 119.903 -79.8687 -238.836 -31.6363 78.2258 -136.964 -151.641 -97.2846 -167.831 PRESSAVG: 951800 -17.8647 -0.131044 -44.3942 -0.131073 -38.2141 -54.7042 -44.3942 -54.7043 3.39746 GPRESSAVG: 951800 -18.4131 0.887553 -44.0906 1.29851 -37.6478 -55.3652 -45.3318 -56.4939 4.02116 TIMING: 951800 CPU: 3010.26, 0.00317846/step Wall: 3010.26, 0.00317846/step, 3.57418 hours remaining, 236.273438 MB of memory in use. ENERGY: 951800 3947.7144 20523.6528 14452.9939 249.4256 -203070.3739 2492.0859 0.0000 0.0000 52090.7390 -109313.7623 299.3662 -161404.5013 -108957.6946 298.3557 -19.9746 10.0993 761730.4914 -17.5604 -17.3466 PRESSURE: 952000 146.01 -31.8616 33.349 -31.8615 -320.019 103.456 33.3501 103.456 -520.461 GPRESSURE: 952000 199.05 -99.4251 41.959 -38.4842 -265.551 136.309 114.741 115.056 -538.05 PRESSAVG: 952000 11.9028 19.199 12.7967 19.199 -22.3399 -0.280288 12.7968 -0.280289 0.535107 GPRESSAVG: 952000 13.3902 16.1165 12.5492 20.2383 -21.5394 0.0157645 13.3547 2.09672 -1.61735 TIMING: 952000 CPU: 3010.9, 0.00320017/step Wall: 3010.9, 0.00320017/step, 3.59841 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: 952000 4005.1106 20499.2517 14377.3270 240.9376 -202918.1276 2137.4559 0.0000 0.0000 52173.8027 -109484.2422 299.8436 -161658.0449 -109112.9904 299.4962 -231.4901 -201.5168 760213.3033 -3.3006 -3.2555 PRESSURE: 952200 15.9987 -361.181 -168.484 -361.181 -51.5496 391.947 -168.484 391.948 -1.13123 GPRESSURE: 952200 -38.5353 -200.225 -167.345 -191.334 135.879 331.6 -198.822 350.646 -43.9271 PRESSAVG: 952200 -14.6238 -6.66229 -23.8638 -6.66226 14.6151 46.9756 -23.8638 46.9756 -12.6817 GPRESSAVG: 952200 -14.878 -4.69979 -27.0543 -5.90725 14.2127 46.2073 -22.3677 43.5793 -12.4054 TIMING: 952200 CPU: 3011.54, 0.00318678/step Wall: 3011.54, 0.00318678/step, 3.58318 hours remaining, 236.273438 MB of memory in use. ENERGY: 952200 3925.8044 20656.8972 14488.9158 244.7588 -203364.8265 2640.5300 0.0000 0.0000 51924.3628 -109483.5574 298.4100 -161407.9203 -109119.5563 299.9068 -12.2274 17.8056 761587.4090 -4.2301 -4.3569 LDB: ============= START OF LOAD BALANCING ============== 3023.99 LDB: ============== END OF LOAD BALANCING =============== 3023.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3023.99 LDB: ============= START OF LOAD BALANCING ============== 3024.31 LDB: Largest compute 7065 load 0.036222 is 18.6% of average load 0.195060 LDB: Average compute 0.004381 is 2.2% of average load 0.195060 LDB: TIME 3024.31 LOAD: AVG 0.19506 MAX 0.212188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 3024.32 LOAD: AVG 0.19506 MAX 0.212188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 3024.32 LOAD: AVG 0.19506 MAX 0.212188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 3024.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3024.32 PRESSURE: 952400 -43.4967 426.682 -159.26 426.682 145.628 135.776 -159.26 135.777 132.99 GPRESSURE: 952400 -61.5111 194.935 -200.233 298.017 220.044 88.3803 -114.978 135.98 163.919 PRESSAVG: 952400 -12.6165 5.9449 -7.55188 5.94489 -5.29895 0.384807 -7.55181 0.384796 1.77134 GPRESSAVG: 952400 -13.9781 7.16814 -4.68309 3.23533 -4.20756 -0.017144 -9.62957 2.90278 2.22209 TIMING: 952400 CPU: 3012.19, 0.00325218/step Wall: 3012.19, 0.00325218/step, 3.65653 hours remaining, 237.304688 MB of memory in use. ENERGY: 952400 3924.3819 20685.6448 14453.7744 249.7541 -203502.7858 2652.3291 0.0000 0.0000 52039.1280 -109497.7736 299.0696 -161536.9016 -109146.2226 299.1615 78.3739 107.4843 760621.7278 -5.3814 -5.3212 PRESSURE: 952600 -303.156 -66.1481 83.8139 -66.1472 -19.577 22.0905 83.814 22.0913 -139.274 GPRESSURE: 952600 -182.721 -125.277 58.6254 -24.616 -47.9534 -34.3618 -31.5756 46.4521 -137.625 PRESSAVG: 952600 -16.684 9.09351 0.0698219 9.09352 4.88299 -29.0356 0.0698326 -29.0356 15.8712 GPRESSAVG: 952600 -14.7393 9.5955 -0.778041 7.63512 2.1896 -29.3577 0.0925436 -30.2893 16.5548 TIMING: 952600 CPU: 3012.82, 0.00316472/step Wall: 3012.82, 0.00316472/step, 3.55802 hours remaining, 237.304688 MB of memory in use. ENERGY: 952600 3938.1332 20397.1271 14433.0985 245.9668 -203030.2169 2531.6846 0.0000 0.0000 51774.3494 -109709.8573 297.5479 -161484.2066 -109348.8360 299.1471 -154.0026 -122.7665 761260.0012 1.3567 1.3350 PRESSURE: 952800 170.375 33.7177 215.867 33.7183 -220.84 -19.675 215.866 -19.6739 -42.3162 GPRESSURE: 952800 132.713 48.748 132.327 -12.0132 -135.416 2.87662 234.366 -35.1508 -10.5548 PRESSAVG: 952800 60.7441 -15.3759 2.79681 -15.3759 -22.6974 15.3087 2.79683 15.3087 7.6837 GPRESSAVG: 952800 60.5909 -18.0195 2.38271 -11.7257 -20.8185 15.2737 4.49779 14.8157 6.17719 TIMING: 952800 CPU: 3013.45, 0.00317726/step Wall: 3013.45, 0.00317726/step, 3.57195 hours remaining, 237.304688 MB of memory in use. ENERGY: 952800 3979.7556 20518.7655 14375.4828 239.0034 -203319.5394 2525.9624 0.0000 0.0000 52024.2792 -109656.2906 298.9842 -161680.5698 -109292.4705 299.2067 -30.9270 -4.4194 761638.8130 15.2435 15.3165 PRESSURE: 953000 -155.996 231.222 96.9478 231.221 -18.3826 270.604 96.9475 270.603 25.7612 GPRESSURE: 953000 -127.912 181.399 62.2991 224.551 48.0118 236.32 35.1157 226.489 24.926 PRESSAVG: 953000 4.00119 19.0587 -4.0437 19.0587 -6.18389 6.62997 -4.04373 6.63 19.1218 GPRESSAVG: 953000 3.27782 21.815 -4.20921 15.3328 -5.59755 6.18895 -7.17816 6.83764 19.5576 TIMING: 953000 CPU: 3014.09, 0.0031518/step Wall: 3014.09, 0.0031518/step, 3.54314 hours remaining, 237.304688 MB of memory in use. ENERGY: 953000 3995.9301 20481.3536 14344.7825 254.7780 -203135.2913 2635.8075 0.0000 0.0000 51991.7345 -109430.9050 298.7972 -161422.6395 -109062.5583 299.6964 -49.5392 -18.3247 761760.8682 5.6464 5.7459 PRESSURE: 953200 15.0192 -133.312 -204.59 -133.312 389.371 186.439 -204.591 186.439 95.8733 GPRESSURE: 953200 111.747 -196.149 -105.475 -38.6255 358.837 243.831 -162.757 171.164 133.052 PRESSAVG: 953200 -0.814853 0.163166 -31.4918 0.163187 -8.07605 45.4883 -31.4918 45.4882 -0.923441 GPRESSAVG: 953200 0.00499822 -2.1513 -31.8964 2.38983 -9.43861 45.0596 -29.8965 48.8203 -0.497575 TIMING: 953200 CPU: 3014.72, 0.00317488/step Wall: 3014.72, 0.00317488/step, 3.56892 hours remaining, 237.304688 MB of memory in use. ENERGY: 953200 3962.4269 20627.7965 14383.0759 249.6637 -203403.4611 2911.0701 0.0000 0.0000 51927.7851 -109341.6429 298.4297 -161269.4280 -108983.8795 299.2561 166.7545 201.2121 760398.1398 -3.2714 -3.3104 PRESSURE: 953400 121.701 -101.274 164.812 -101.273 -173.552 -221.24 164.811 -221.239 112.364 GPRESSURE: 953400 94.5621 59.9414 149.967 -112.686 -38.8383 -168.906 263.099 -274.126 96.1233 PRESSAVG: 953400 9.11811 -30.896 -30.1897 -30.896 48.3059 31.6885 -30.1897 31.6885 -15.5562 GPRESSAVG: 953400 9.43499 -27.8427 -27.9524 -33.0036 47.5586 33.1586 -30.6439 29.5182 -15.1021 TIMING: 953400 CPU: 3015.36, 0.00320612/step Wall: 3015.36, 0.00320612/step, 3.60385 hours remaining, 237.304688 MB of memory in use. ENERGY: 953400 4027.7225 20529.5861 14425.8116 247.8074 -203048.0315 2567.6973 0.0000 0.0000 52019.4420 -109229.9645 298.9564 -161249.4066 -108861.3358 299.9178 20.1709 50.6157 761263.7981 13.9559 13.9638 PRESSURE: 953600 205.359 98.421 -66.1871 98.4216 74.5402 203.508 -66.1865 203.508 -86.8768 GPRESSURE: 953600 253.319 95.6986 -127.511 -22.3507 62.9039 126.204 -87.6794 234.11 -44.8751 PRESSAVG: 953600 11.8696 -13.6857 8.36643 -13.6857 -8.20258 -51.6469 8.36647 -51.647 30.8864 GPRESSAVG: 953600 10.8899 -14.244 8.27414 -12.242 -6.51868 -52.2011 7.2285 -50.5295 30.19 TIMING: 953600 CPU: 3016, 0.0031791/step Wall: 3016, 0.0031791/step, 3.57331 hours remaining, 237.304688 MB of memory in use. ENERGY: 953600 3977.2830 20548.5291 14407.1829 251.1803 -202773.6346 2149.1922 0.0000 0.0000 52336.9829 -109103.2842 300.7814 -161440.2671 -108738.0484 299.8667 64.3406 90.4494 759350.4886 11.5178 11.5204 PRESSURE: 953800 122.73 -380.056 189.162 -380.056 3.82165 -1.92092 189.162 -1.9216 288.787 GPRESSURE: 953800 132.621 -398.748 258.641 -293.099 52.8168 -3.84797 195.745 -94.5761 345.988 PRESSAVG: 953800 19.7445 -6.47891 -43.0659 -6.47888 -1.53154 12.2603 -43.0659 12.2603 -8.72549 GPRESSAVG: 953800 18.8213 -7.0748 -45.0287 -5.67016 -1.63173 12.8779 -39.0543 9.80078 -7.58025 TIMING: 953800 CPU: 3016.64, 0.00319754/step Wall: 3016.64, 0.00319754/step, 3.59386 hours remaining, 237.304688 MB of memory in use. ENERGY: 953800 3986.8793 20685.6373 14430.7982 244.8812 -203291.2929 2612.2482 0.0000 0.0000 52182.6167 -109148.2321 299.8942 -161330.8488 -108785.7899 300.4919 138.4463 177.1417 760534.4142 3.1625 3.2031 PRESSURE: 954000 37.9864 -197.447 95.4982 -197.447 -81.472 -168.909 95.4969 -168.907 2.10478 GPRESSURE: 954000 27.0667 -167.956 60.8418 -207.134 -18.6242 -159.51 -83.6909 -151.257 49.6791 PRESSAVG: 954000 39.9376 -64.1832 17.9743 -64.1831 -30.5103 -34.2989 17.9742 -34.299 -10.5293 GPRESSAVG: 954000 39.0827 -65.5818 18.1023 -66.0996 -30.0196 -35.2006 14.0436 -32.1531 -10.1199 TIMING: 954000 CPU: 3017.29, 0.00325781/step Wall: 3017.29, 0.00325781/step, 3.66142 hours remaining, 237.304688 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: 954000 4041.0034 20608.2212 14385.8933 258.4275 -203486.2748 2577.8450 0.0000 0.0000 52400.4405 -109214.4438 301.1461 -161614.8843 -108842.7285 300.3829 -13.7936 19.3739 761019.4706 -0.3673 -0.3523 PRESSURE: 954200 -145.009 -23.4278 -15.9705 -23.4265 -22.1345 245.01 -15.9706 245.01 -164.149 GPRESSURE: 954200 -95.8592 -6.56386 55.4289 -45.2968 -5.25146 347.89 38.104 209.299 -132.465 PRESSAVG: 954200 -12.1997 -40.0487 -47.0629 -40.0487 46.6179 -14.7299 -47.0628 -14.7299 4.63829 GPRESSAVG: 954200 -11.539 -39.2554 -45.0293 -38.5768 46.2481 -15.5627 -44.1321 -15.1783 3.72494 TIMING: 954200 CPU: 3017.94, 0.00325295/step Wall: 3017.94, 0.00325295/step, 3.65577 hours remaining, 237.304688 MB of memory in use. ENERGY: 954200 4060.0769 20673.9434 14351.3967 265.0576 -202714.3780 2160.3083 0.0000 0.0000 52021.5366 -109182.0585 298.9685 -161203.5951 -108818.1316 300.4577 -110.4307 -77.8586 760732.4654 13.0188 12.8113 PRESSURE: 954400 196.843 -55.0552 203.486 -55.0554 -16.1428 -131.064 203.485 -131.064 35.9855 GPRESSURE: 954400 275.76 -53.1593 216.885 -32.4874 -42.7171 -178.201 130.483 -57.2746 93.8336 PRESSAVG: 954400 29.0791 -61.2041 8.80795 -61.2041 -16.2117 -60.2734 8.80799 -60.2734 20.4993 GPRESSAVG: 954400 29.0835 -62.8919 8.74456 -59.9891 -16.7898 -59.9886 8.26141 -61.0422 21.4459 TIMING: 954400 CPU: 3018.58, 0.0032209/step Wall: 3018.58, 0.0032209/step, 3.61958 hours remaining, 237.304688 MB of memory in use. ENERGY: 954400 3989.1052 20517.6707 14452.3616 246.2213 -203259.5420 2512.5774 0.0000 0.0000 52306.3932 -109235.2127 300.6056 -161541.6059 -108872.2560 300.1056 72.2286 108.9588 761061.6982 11.1222 11.2465 PRESSURE: 954600 -201.49 -249.122 82.4091 -249.122 146.032 -159.646 82.4098 -159.647 -263.177 GPRESSURE: 954600 -177.277 -251.499 63.0357 -15.0034 163.763 -87.1974 117.388 -174.605 -216.437 PRESSAVG: 954600 29.8634 -51.9715 -7.02819 -51.9715 -48.2227 -2.9599 -7.02816 -2.95994 -9.54666 GPRESSAVG: 954600 31.5156 -51.3598 -7.63896 -51.1616 -49.3967 -1.9563 -8.7099 -3.3692 -10.2861 TIMING: 954600 CPU: 3019.22, 0.0031898/step Wall: 3019.22, 0.0031898/step, 3.58444 hours remaining, 237.304688 MB of memory in use. ENERGY: 954600 4003.0612 20581.8347 14407.5586 230.3447 -202921.2194 2511.4413 0.0000 0.0000 51961.8457 -109225.1332 298.6254 -161186.9788 -108863.2530 300.1193 -106.2115 -76.6503 761501.0501 -9.3020 -9.3890 PRESSURE: 954800 -68.0531 -144.694 -221.844 -144.694 -147.583 -75.6949 -221.844 -75.6952 -274.625 GPRESSURE: 954800 -42.2107 -159.113 -256.189 -146.276 -86.6507 -65.9492 -184.23 -126.696 -287.739 PRESSAVG: 954800 26.8265 -35.0349 64.0122 -35.035 32.7339 8.0487 64.0122 8.04864 6.61957 GPRESSAVG: 954800 26.7473 -34.4602 62.4681 -38.4194 33.7117 9.81701 64.5904 7.02348 5.64182 TIMING: 954800 CPU: 3019.86, 0.00319699/step Wall: 3019.86, 0.00319699/step, 3.59236 hours remaining, 237.304688 MB of memory in use. ENERGY: 954800 4023.6217 20643.5187 14392.6619 244.2096 -203096.6390 2407.7313 0.0000 0.0000 52066.4707 -109318.4250 299.2267 -161384.8958 -108960.1324 300.0244 -163.4204 -138.8669 761060.1939 22.0600 22.0336 PRESSURE: 955000 38.6011 -195.179 202.41 -195.178 269.044 -195.613 202.409 -195.613 90.2786 GPRESSURE: 955000 -10.3683 -210.526 220.056 -204.202 337.3 -220.375 247.414 -121.694 140.943 PRESSAVG: 955000 16.1974 -67.4036 6.32223 -67.4034 16.7111 25.0067 6.32218 25.0067 -2.13937 GPRESSAVG: 955000 15.7024 -67.3857 7.59383 -64.7393 16.3149 23.9746 9.8361 24.9914 -1.31061 TIMING: 955000 CPU: 3020.5, 0.00320491/step Wall: 3020.5, 0.00320491/step, 3.60107 hours remaining, 237.304688 MB of memory in use. ENERGY: 955000 4051.7165 20319.2488 14441.0554 241.5361 -203656.2805 2659.7044 0.0000 0.0000 52447.5160 -109495.5032 301.4166 -161943.0192 -109127.4742 299.7762 132.6414 155.9584 759410.7212 10.2564 10.2355 PRESSURE: 955200 -418.619 116.853 376.437 116.853 -330.033 265.609 376.437 265.61 -477.658 GPRESSURE: 955200 -388.679 108.146 400.717 83.7303 -290.161 225.4 311.791 299.707 -464.04 PRESSAVG: 955200 -9.82132 -23.0241 34.1912 -23.0241 -35.2234 -33.6679 34.1912 -33.6679 -23.8333 GPRESSAVG: 955200 -10.5359 -22.2544 33.9116 -25.5192 -34.7335 -36.6088 32.3976 -30.2055 -23.5945 TIMING: 955200 CPU: 3021.14, 0.00319104/step Wall: 3021.14, 0.00319104/step, 3.58531 hours remaining, 237.304688 MB of memory in use. ENERGY: 955200 3990.1781 20486.0624 14465.7450 251.0462 -202681.5784 1921.7894 0.0000 0.0000 52000.5828 -109566.1745 298.8481 -161566.7574 -109208.1680 299.3931 -408.7699 -380.9599 762337.4771 -22.9593 -22.9546 PRESSURE: 955400 172.587 71.6687 157.638 71.669 120.141 -150.105 157.637 -150.105 358.699 GPRESSURE: 955400 141.416 84.2169 37.6798 -15.8709 165.602 -208.741 113.975 -97.6271 415.714 PRESSAVG: 955400 -8.61319 28.329 -26.5167 28.329 51.8398 -30.3844 -26.5167 -30.3845 -11.9234 GPRESSAVG: 955400 -8.92256 28.247 -27.063 29.0036 52.3565 -28.6445 -27.4954 -31.3044 -12.1369 TIMING: 955400 CPU: 3021.77, 0.00316118/step Wall: 3021.77, 0.00316118/step, 3.55158 hours remaining, 237.304688 MB of memory in use. ENERGY: 955400 4008.7515 20544.1551 14389.4561 257.2385 -203910.4544 2913.1856 0.0000 0.0000 52186.8803 -109610.7874 299.9187 -161797.6677 -109252.3558 299.2094 217.1423 240.9108 760652.1697 10.4344 10.4323 PRESSURE: 955600 8.86871 50.1433 -117.931 50.1433 153.2 67.0642 -117.931 67.0642 76.3432 GPRESSURE: 955600 -25.253 40.5633 -181.532 88.6018 258.623 -99.5092 -58.0174 68.3957 87.4909 PRESSAVG: 955600 7.95026 -24.3459 -4.66915 -24.3459 10.5648 -43.7682 -4.66919 -43.7683 12.581 GPRESSAVG: 955600 6.96121 -23.7527 -4.03811 -24.8117 10.8743 -42.5677 -4.15144 -47.7023 13.3573 TIMING: 955600 CPU: 3022.41, 0.00317546/step Wall: 3022.41, 0.00317546/step, 3.56745 hours remaining, 237.304688 MB of memory in use. ENERGY: 955600 3943.8749 20530.9641 14417.4867 237.9334 -202975.0348 2393.9638 0.0000 0.0000 51773.5239 -109677.2880 297.5432 -161450.8119 -109317.2346 299.1487 79.4707 106.9537 761207.0681 10.3654 10.3976 PRESSURE: 955800 320.321 -100.891 219.503 -100.891 121.022 335.766 219.504 335.765 350.459 GPRESSURE: 955800 311.862 -27.8291 179.096 -118.072 217.626 390.037 165.199 292.879 344.225 PRESSAVG: 955800 -25.033 -20.6769 -25.1636 -20.6769 24.5408 -13.3023 -25.1636 -13.3024 13.9565 GPRESSAVG: 955800 -24.0989 -21.3886 -26.3857 -18.165 24.2187 -13.7314 -24.4639 -10.9236 12.734 TIMING: 955800 CPU: 3023.04, 0.00316734/step Wall: 3023.04, 0.00316734/step, 3.55815 hours remaining, 237.304688 MB of memory in use. ENERGY: 955800 3954.8224 20457.1900 14348.7062 248.6205 -203523.5304 2859.8787 0.0000 0.0000 51713.4023 -109940.9102 297.1976 -161654.3125 -109581.4792 298.5928 263.9338 291.2373 760223.2106 4.4881 4.2846 PRESSURE: 956000 172.254 107.082 -188.287 107.081 48.8511 69.6691 -188.287 69.6694 381.214 GPRESSURE: 956000 206.946 55.4884 -123.428 24.5717 150.878 46.6315 -184.574 73.743 329.761 PRESSAVG: 956000 6.93055 -68.3338 9.49837 -68.3338 19.3245 46.2046 9.49845 46.2047 3.51361 GPRESSAVG: 956000 7.53215 -68.7186 10.038 -67.2892 19.8986 44.7224 10.5041 46.885 2.14207 TIMING: 956000 CPU: 3023.68, 0.00318364/step Wall: 3023.68, 0.00318364/step, 3.57629 hours remaining, 237.304688 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: 956000 3969.5451 20503.7689 14391.2990 238.2750 -203411.8393 2541.5627 0.0000 0.0000 51911.2963 -109856.0923 298.3349 -161767.3886 -109496.4446 298.4856 200.7727 229.1948 758833.9294 9.9229 9.8576 PRESSURE: 956200 162.748 48.5291 16.7394 48.5294 159.268 271.341 16.7389 271.342 100.09 GPRESSURE: 956200 188.841 79.8674 18.4519 135.878 158.561 251.045 -16.2905 196.703 157.826 PRESSAVG: 956200 -24.4714 -42.0743 -32.3511 -42.0743 60.044 -13.0942 -32.3512 -13.0941 9.58566 GPRESSAVG: 956200 -24.6818 -41.9263 -31.2014 -46.533 59.6607 -12.9048 -34.9224 -12.7126 9.96291 TIMING: 956200 CPU: 3024.32, 0.00321797/step Wall: 3024.32, 0.00321797/step, 3.61467 hours remaining, 237.304688 MB of memory in use. ENERGY: 956200 3992.2035 20536.9345 14411.9945 229.4183 -203720.6271 2716.7675 0.0000 0.0000 51979.2600 -109854.0488 298.7255 -161833.3088 -109497.2631 298.4434 140.7021 168.4092 757336.7717 15.0527 14.9806 LDB: ============= START OF LOAD BALANCING ============== 3036.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3036.77 LDB: =============== DONE WITH MIGRATION ================ 3036.78 LDB: ============= START OF LOAD BALANCING ============== 3037.1 LDB: Largest compute 7034 load 0.035656 is 18.3% of average load 0.195133 LDB: Average compute 0.004374 is 2.2% of average load 0.195133 LDB: TIME 3037.1 LOAD: AVG 0.195133 MAX 0.212597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.602 MB LDB: TIME 3037.1 LOAD: AVG 0.195133 MAX 0.212597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.602 MB LDB: TIME 3037.1 LOAD: AVG 0.195133 MAX 0.212597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.602 MB LDB: ============== END OF LOAD BALANCING =============== 3037.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3037.11 PRESSURE: 956400 -25.3298 -39.3906 -97.3436 -39.3905 -247.394 43.9286 -97.3432 43.9289 177.7 GPRESSURE: 956400 -26.5202 -14.9798 -116.577 -94.5738 -181.202 75.1878 0.745923 -102.185 188.585 PRESSAVG: 956400 -6.6004 -23.1831 3.90065 -23.1832 8.48968 16.6802 3.90068 16.6803 -7.69078 GPRESSAVG: 956400 -7.63857 -25.119 1.90613 -19.819 8.80624 18.0601 4.60632 16.5065 -7.44764 TIMING: 956400 CPU: 3024.97, 0.00324608/step Wall: 3024.97, 0.00324608/step, 3.64607 hours remaining, 238.328125 MB of memory in use. ENERGY: 956400 4008.8508 20427.8363 14414.3750 236.8775 -203645.3237 2812.4010 0.0000 0.0000 51913.4123 -109831.5708 298.3471 -161744.9831 -109471.3710 298.2550 -31.6745 -6.3789 759030.1554 -1.9338 -2.0933 PRESSURE: 956600 -47.3172 21.5355 -58.7234 21.5355 -22.7459 -68.858 -58.7237 -68.8585 -57.0661 GPRESSURE: 956600 -69.7187 -22.7005 -65.0313 104.096 71.8304 4.63888 -68.2371 -53.2912 -45.1143 PRESSAVG: 956600 35.5399 -13.6817 52.3556 -13.6818 3.43314 -7.68658 52.3555 -7.68669 25.8025 GPRESSAVG: 956600 35.9096 -13.6765 52.4389 -14.8134 2.74315 -7.31627 54.3079 -6.8291 26.2925 TIMING: 956600 CPU: 3025.61, 0.00318865/step Wall: 3025.61, 0.00318865/step, 3.58138 hours remaining, 238.398438 MB of memory in use. ENERGY: 956600 3991.9020 20439.0648 14321.8079 232.6945 -203228.7336 2422.8711 0.0000 0.0000 51827.7443 -109992.6490 297.8548 -161820.3933 -109624.0013 298.6604 -42.3764 -14.3342 761892.2814 21.5918 21.6484 PRESSURE: 956800 -147.196 -61.94 -15.4136 -61.94 -219.681 117.902 -15.4145 117.902 40.1691 GPRESSURE: 956800 -146.323 -55.1671 -47.2836 -17.8489 -121.991 129.027 -45.5255 93.8284 51.6935 PRESSAVG: 956800 -3.58435 0.829122 60.7861 0.829113 -2.3385 0.613574 60.786 0.613565 1.00352 GPRESSAVG: 956800 -3.92467 2.78808 61.0069 -0.804055 -1.815 0.278131 59.531 1.21375 0.460632 TIMING: 956800 CPU: 3026.25, 0.00319402/step Wall: 3026.25, 0.00319402/step, 3.58724 hours remaining, 238.398438 MB of memory in use. ENERGY: 956800 3960.1650 20431.1620 14312.6703 242.6652 -203273.6143 2449.0908 0.0000 0.0000 52011.8626 -109865.9984 298.9129 -161877.8610 -109506.5820 298.0280 -108.9024 -72.2068 761403.9404 -1.6398 -1.7597 PRESSURE: 957000 46.6271 -34.3686 -91.7128 -34.369 -2.60532 -151.317 -91.7127 -151.316 445.725 GPRESSURE: 957000 96.1528 -63.4448 -101.857 12.1168 45.6593 -179.701 -136.932 -102.947 451.273 PRESSAVG: 957000 -27.2788 -35.2003 1.60858 -35.2003 3.83584 25.8927 1.60859 25.8927 4.32947 GPRESSAVG: 957000 -26.1621 -35.289 3.25391 -34.9205 4.30549 25.8769 -0.266165 25.3075 3.67723 TIMING: 957000 CPU: 3026.88, 0.00318319/step Wall: 3026.88, 0.00318319/step, 3.57489 hours remaining, 238.398438 MB of memory in use. ENERGY: 957000 4091.3634 20230.2949 14371.0639 252.5999 -203528.9289 2678.1747 0.0000 0.0000 51929.5896 -109975.8425 298.4401 -161905.4321 -109625.2415 298.0913 163.2488 197.6952 760646.8794 -6.3712 -6.0598 PRESSURE: 957200 51.1556 25.6166 54.929 25.6164 -23.3601 84.5366 54.9291 84.5366 212.889 GPRESSURE: 957200 168.307 -129.441 12.4022 -6.68815 54.8571 26.3995 157.002 106.988 129.994 PRESSAVG: 957200 13.8542 -7.82914 35.8186 -7.8292 -25.4706 40.3287 35.8186 40.3289 12.1499 GPRESSAVG: 957200 13.653 -9.83852 34.5059 -6.42247 -25.0752 40.7305 38.3508 40.461 11.93 TIMING: 957200 CPU: 3027.52, 0.0031821/step Wall: 3027.52, 0.0031821/step, 3.5735 hours remaining, 238.398438 MB of memory in use. ENERGY: 957200 3944.6523 20520.9262 14384.8459 250.5693 -203093.6029 2515.9587 0.0000 0.0000 51688.6293 -109788.0213 297.0553 -161476.6506 -109424.2942 297.9175 80.2280 117.7196 760211.2282 0.1778 0.1693 PRESSURE: 957400 -130.301 165.551 187.924 165.551 -138.317 116.901 187.924 116.9 292.936 GPRESSURE: 957400 -78.8333 86.4517 200.116 77.7802 -146.177 198.6 119.523 148.337 319.096 PRESSAVG: 957400 9.18865 17.4317 -8.53477 17.4317 -29.2144 -1.01255 -8.53474 -1.01258 -22.2942 GPRESSAVG: 957400 8.43619 18.3715 -7.48469 18.361 -29.9764 -2.12317 -10.0221 0.600764 -20.8604 TIMING: 957400 CPU: 3028.15, 0.00316323/step Wall: 3028.15, 0.00316323/step, 3.55213 hours remaining, 238.398438 MB of memory in use. ENERGY: 957400 3975.6937 20579.6208 14435.8803 258.2321 -203443.6927 2602.4011 0.0000 0.0000 51806.3730 -109785.4917 297.7319 -161591.8647 -109435.7497 298.2752 8.1059 31.3621 761158.4922 -14.1067 -14.1335 PRESSURE: 957600 -199.665 -137.641 -67.4274 -137.641 -392.748 -17.2853 -67.4273 -17.285 -251.51 GPRESSURE: 957600 -216.897 -77.0225 -94.1148 -41.3528 -297.096 -32.2434 -118.341 -7.2562 -249.673 PRESSAVG: 957600 -11.6085 45.0876 2.0677 45.0876 -29.2257 16.0369 2.06777 16.0369 44.8952 GPRESSAVG: 957600 -10.7974 44.9075 1.24365 43.6985 -29.4966 16.7765 2.7125 14.4508 45.1243 TIMING: 957600 CPU: 3028.79, 0.00317235/step Wall: 3028.79, 0.00317235/step, 3.5622 hours remaining, 238.398438 MB of memory in use. ENERGY: 957600 4032.5806 20459.5896 14414.3109 245.4913 -203474.1828 2670.1146 0.0000 0.0000 51888.1345 -109763.9613 298.2018 -161652.0959 -109396.3485 298.8822 -281.3078 -254.5555 761907.4783 1.3537 1.6101 PRESSURE: 957800 110.731 -281.497 209.936 -281.497 -73.9172 198.949 209.936 198.948 233.589 GPRESSURE: 957800 129.705 -255.121 215.637 -406.487 18.4635 180.2 116.714 132.959 195.677 PRESSAVG: 957800 -30.7021 -22.7736 7.56977 -22.7735 13.4934 80.327 7.56977 80.3271 -18.6493 GPRESSAVG: 957800 -29.3396 -21.8141 6.76704 -24.0861 12.9085 79.7907 8.75396 79.6518 -19.2238 TIMING: 957800 CPU: 3029.43, 0.0032049/step Wall: 3029.43, 0.0032049/step, 3.59857 hours remaining, 238.398438 MB of memory in use. ENERGY: 957800 4032.3160 20532.2154 14425.4006 255.9349 -203667.2864 2883.5057 0.0000 0.0000 51915.9842 -109621.9296 298.3619 -161537.9138 -109254.7190 298.8195 90.1341 114.6151 759686.8164 -11.9527 -11.8850 PRESSURE: 958000 293.225 -130.299 269.582 -130.299 -366.919 67.3488 269.581 67.349 -0.0273102 GPRESSURE: 958000 230.266 -113.121 348.938 -154.318 -247.224 172.724 215.465 10.2374 32.6663 PRESSAVG: 958000 17.1605 -33.2077 6.45487 -33.2077 -51.3355 22.4343 6.45489 22.4344 17.1321 GPRESSAVG: 958000 16.6919 -33.5353 6.9921 -32.6582 -49.9923 23.2845 4.6285 22.5979 16.4333 TIMING: 958000 CPU: 3030.07, 0.00321137/step Wall: 3030.07, 0.00321137/step, 3.60566 hours remaining, 238.398438 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: 958000 4016.6055 20590.2071 14511.7517 218.4563 -203276.5486 2339.7225 0.0000 0.0000 51855.2826 -109744.5229 298.0130 -161599.8056 -109386.9227 298.5752 -24.5736 5.2360 760252.6063 -5.6810 -5.6224 PRESSURE: 958200 230.064 -159.132 146.408 -159.132 -223.12 55.499 146.408 55.4985 -284.908 GPRESSURE: 958200 209.595 -2.42134 91.6434 -146.532 -243.913 189.618 127.015 26.2177 -153.725 PRESSAVG: 958200 -38.7468 22.7012 34.7414 22.7012 21.11 30.4917 34.7414 30.4917 1.22571 GPRESSAVG: 958200 -39.8205 23.9909 36.3983 22.7104 20.7015 31.1157 35.4856 29.585 3.22993 TIMING: 958200 CPU: 3030.72, 0.00322943/step Wall: 3030.72, 0.00322943/step, 3.62575 hours remaining, 238.398438 MB of memory in use. ENERGY: 958200 3992.1708 20650.8810 14418.9662 242.4673 -203942.4746 2857.0306 0.0000 0.0000 52183.9524 -109597.0064 299.9019 -161780.9588 -109235.3051 299.1989 -92.6546 -62.6807 760273.2333 -5.4704 -5.2964 PRESSURE: 958400 49.536 48.999 -425.001 48.9993 44.144 -155.873 -425 -155.873 124.9 GPRESSURE: 958400 -1.75121 -6.02371 -497.591 106.265 144.559 -114.203 -284.056 -81.8716 142.528 PRESSAVG: 958400 -23.9045 -5.1343 25.0573 -5.13424 -15.0913 1.13962 25.0572 1.13963 3.33883 GPRESSAVG: 958400 -23.3441 -7.15686 24.3577 -4.78957 -14.2995 -0.396813 25.2514 2.47817 1.98011 TIMING: 958400 CPU: 3031.36, 0.00320851/step Wall: 3031.36, 0.00320851/step, 3.60209 hours remaining, 238.398438 MB of memory in use. ENERGY: 958400 3916.7308 20714.2577 14499.0256 256.1875 -203462.5292 2536.8663 0.0000 0.0000 51822.8064 -109716.6550 297.8264 -161539.4615 -109364.5415 298.4042 72.8599 95.1119 759603.9012 -11.8857 -11.8878 PRESSURE: 958600 317.017 59.5396 -114.09 59.5395 -46.1656 131.227 -114.09 131.226 232.635 GPRESSURE: 958600 403.747 -88.8032 -73.3611 40.7835 -49.5839 159.41 -151.747 117.383 238.248 PRESSAVG: 958600 35.9949 -3.27516 -7.01565 -3.27516 -10.4463 8.74292 -7.01564 8.7429 6.12648 GPRESSAVG: 958600 36.6663 -4.07784 -5.37038 -4.34054 -11.5091 7.89874 -9.08921 7.76059 6.34772 TIMING: 958600 CPU: 3031.99, 0.00317494/step Wall: 3031.99, 0.00317494/step, 3.56422 hours remaining, 238.398438 MB of memory in use. ENERGY: 958600 3958.5036 20326.5203 14444.6152 252.8907 -203675.9268 2826.1133 0.0000 0.0000 52146.0586 -109721.2251 299.6841 -161867.2836 -109353.1176 298.8792 167.8289 197.4704 759908.5251 10.5584 10.5016 PRESSURE: 958800 -88.8194 48.7208 7.13713 48.7206 184.231 105.46 7.1379 105.46 98.6918 GPRESSURE: 958800 5.60618 -23.4533 -3.89402 69.1275 227.938 97.8718 -44.2176 12.49 46.5598 PRESSAVG: 958800 86.1385 -20.1312 -13.0648 -20.1313 -33.655 49.7769 -13.0648 49.7768 -0.202105 GPRESSAVG: 958800 86.4545 -17.4268 -14.887 -20.186 -33.4839 51.9376 -10.2866 50.2843 -0.539023 TIMING: 958800 CPU: 3032.62, 0.00315987/step Wall: 3032.62, 0.00315987/step, 3.54713 hours remaining, 238.398438 MB of memory in use. ENERGY: 958800 3952.9919 20407.3092 14546.7883 253.9787 -203386.1217 2456.8659 0.0000 0.0000 52136.1693 -109632.0185 299.6273 -161768.1878 -109253.2077 298.6267 64.7012 93.3680 759069.6128 17.4271 17.4772 PRESSURE: 959000 -381.132 141.075 114.563 141.075 -344.457 -158.823 114.563 -158.822 -308.293 GPRESSURE: 959000 -277.437 40.7039 8.56302 114.36 -337.576 -157.578 231.355 -73.1306 -337.281 PRESSAVG: 959000 16.1896 -16.7923 18.1965 -16.7923 -18.6327 9.00508 18.1964 9.00505 7.73326 GPRESSAVG: 959000 16.6154 -19.1359 17.4135 -15.0354 -18.7746 7.06384 15.8668 9.43915 7.74643 TIMING: 959000 CPU: 3033.26, 0.00316546/step Wall: 3033.26, 0.00316546/step, 3.55323 hours remaining, 238.398438 MB of memory in use. ENERGY: 959000 4028.3171 20417.1686 14487.0096 258.9016 -202999.4492 2173.6249 0.0000 0.0000 51829.1398 -109805.2878 297.8628 -161634.4275 -109441.7329 299.1230 -344.6275 -317.4314 760300.1242 1.7634 1.8624 PRESSURE: 959200 77.828 -2.61728 24.1052 -2.61718 81.2982 55.6842 24.1046 55.6835 -405.154 GPRESSURE: 959200 64.6346 -81.1292 94.8857 72.4584 105.823 -14.6457 83.9752 123.53 -342.187 PRESSAVG: 959200 11.9905 -23.9463 -7.31934 -23.9463 -2.36878 -1.45228 -7.31931 -1.45231 -12.0558 GPRESSAVG: 959200 12.3034 -22.4902 -7.80483 -26.003 -2.31604 -0.621776 -4.75423 -0.95069 -11.6598 TIMING: 959200 CPU: 3033.89, 0.00315682/step Wall: 3033.89, 0.00315682/step, 3.54335 hours remaining, 238.398438 MB of memory in use. ENERGY: 959200 3966.5532 20556.8002 14487.5382 240.0963 -203634.8174 2607.7670 0.0000 0.0000 52080.9255 -109695.1370 299.3098 -161776.0625 -109337.8025 298.8426 -82.0091 -57.2430 759167.8637 -0.8114 -0.5575 PRESSURE: 959400 98.3968 49.7828 -44.3745 49.7833 434.058 -209.534 -44.3745 -209.534 361.415 GPRESSURE: 959400 144.825 30.0008 -29.595 85.3448 495.472 -233.924 -31.9788 -280.113 324.125 PRESSAVG: 959400 28.4301 27.512 -5.26206 27.5119 0.0584099 10.3201 -5.26208 10.3201 -3.76322 GPRESSAVG: 959400 27.326 27.8836 -4.45837 28.971 1.32012 10.8087 -6.44378 8.00185 -3.49296 TIMING: 959400 CPU: 3034.52, 0.00317849/step Wall: 3034.52, 0.00317849/step, 3.56751 hours remaining, 238.398438 MB of memory in use. ENERGY: 959400 3947.4199 20547.7367 14536.0133 245.3754 -203799.2076 2951.9710 0.0000 0.0000 51886.6564 -109684.0349 298.1933 -161570.6913 -109328.4772 298.9375 297.9568 321.4739 760280.6152 8.2418 8.3844 PRESSURE: 959600 58.1881 271.238 229.629 271.238 301.114 209.508 229.63 209.508 334.076 GPRESSURE: 959600 25.7231 319.522 180.483 190.589 376.204 232.167 215.567 179.253 353.078 PRESSAVG: 959600 48.6835 35.3271 -13.3307 35.3271 8.90218 -56.7942 -13.3308 -56.7941 5.00162 GPRESSAVG: 959600 47.9178 33.6918 -13.6493 35.51 9.60117 -56.5797 -11.0089 -57.0553 4.84536 TIMING: 959600 CPU: 3035.16, 0.00320053/step Wall: 3035.16, 0.00320053/step, 3.59206 hours remaining, 238.398438 MB of memory in use. ENERGY: 959600 3891.2318 20513.9334 14404.9507 236.9067 -203617.1660 2624.4994 0.0000 0.0000 52049.9227 -109895.7212 299.1316 -161945.6439 -109537.2592 298.5708 231.1261 251.6682 760542.5360 20.8624 20.7881 PRESSURE: 959800 -49.08 260.279 -246.016 260.279 3.95023 13.0772 -246.016 13.0772 -86.6377 GPRESSURE: 959800 21.833 260.381 -226.61 116.187 30.7182 -60.3503 -244.692 21.6328 -87.2724 PRESSAVG: 959800 -25.0399 61.7644 60.9981 61.7644 23.0858 -27.4692 60.9981 -27.4692 -8.25361 GPRESSAVG: 959800 -24.5654 63.8508 61.3638 59.5959 22.2495 -27.2498 58.0384 -26.5597 -8.03641 TIMING: 959800 CPU: 3035.8, 0.00318628/step Wall: 3035.8, 0.00318628/step, 3.57589 hours remaining, 238.398438 MB of memory in use. ENERGY: 959800 3957.5139 20446.2664 14480.0509 235.6435 -203350.1868 2471.0488 0.0000 0.0000 51801.1439 -109958.5194 297.7019 -161759.6633 -109590.7539 298.0639 -43.9225 -11.5737 760551.7439 -3.4026 -3.4508 PRESSURE: 960000 325.35 74.5891 458.295 74.5882 322.902 -182.242 458.296 -182.242 -95.5812 GPRESSURE: 960000 383.698 121.629 487.209 115.172 454.41 -82.365 401.349 -167.539 -199 PRESSAVG: 960000 -6.30376 26.7702 44.7651 26.7702 -12.3628 -12.8686 44.765 -12.8686 13.2242 GPRESSAVG: 960000 -5.78535 24.6064 45.334 27.14 -12.6435 -13.8458 43.9292 -14.3009 12.8179 TIMING: 960000 CPU: 3036.44, 0.00319987/step Wall: 3036.44, 0.00319987/step, 3.59096 hours remaining, 238.398438 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: 960000 4032.5211 20472.1323 14463.8013 259.9257 -203965.1724 2649.6074 0.0000 0.0000 52248.3124 -109838.8722 300.2718 -162087.1846 -109471.1026 298.3838 184.2234 213.0360 760458.4990 -1.8141 -1.8703 PRESSURE: 960200 -17.5547 29.1917 230.429 29.1916 -171.337 80.5758 230.43 80.5757 -9.63737 GPRESSURE: 960200 -33.471 -124.748 150.102 1.16269 -88.1553 104.173 161.507 133.565 -11.2601 PRESSAVG: 960200 14.179 -0.277999 65.6366 -0.278052 -31.1087 -13.1168 65.6366 -13.1167 18.3601 GPRESSAVG: 960200 15.038 -1.24355 65.8475 1.72771 -32.0418 -13.3884 67.9989 -10.7238 18.1611 TIMING: 960200 CPU: 3037.07, 0.0031526/step Wall: 3037.07, 0.0031526/step, 3.53774 hours remaining, 238.398438 MB of memory in use. ENERGY: 960200 4046.6003 20500.9146 14535.3063 273.3749 -203714.8108 2642.3113 0.0000 0.0000 52009.3521 -109706.9514 298.8985 -161716.3035 -109342.0628 299.0201 -66.1764 -44.2954 759685.1967 0.4768 0.3858 LDB: ============= START OF LOAD BALANCING ============== 3049.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3049.52 LDB: =============== DONE WITH MIGRATION ================ 3049.53 LDB: ============= START OF LOAD BALANCING ============== 3049.84 LDB: Largest compute 7070 load 0.037496 is 19.2% of average load 0.195176 LDB: Average compute 0.004395 is 2.3% of average load 0.195176 LDB: TIME 3049.84 LOAD: AVG 0.195176 MAX 0.214705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.246 MB LDB: TIME 3049.84 LOAD: AVG 0.195176 MAX 0.214705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.41 MB LDB: TIME 3049.84 LOAD: AVG 0.195176 MAX 0.214705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.41 MB LDB: ============== END OF LOAD BALANCING =============== 3049.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3049.85 PRESSURE: 960400 85.7753 -21.0483 -120.712 -21.0483 -289.722 -150.322 -120.712 -150.322 -65.1796 GPRESSURE: 960400 163.751 -26.3392 -219.267 -14.1484 -261.314 -171.151 -205.957 -227.753 -84.3096 PRESSAVG: 960400 5.26738 -6.26224 38.2765 -6.26226 30.7118 -20.6866 38.2766 -20.6865 13.0328 GPRESSAVG: 960400 4.14162 -6.7359 38.6288 -6.56968 32.1721 -20.305 37.4159 -21.7547 12.8131 TIMING: 960400 CPU: 3037.72, 0.00321588/step Wall: 3037.72, 0.00321588/step, 3.60857 hours remaining, 237.046875 MB of memory in use. ENERGY: 960400 3975.6209 20539.4425 14413.1718 250.1240 -203720.6340 2730.4587 0.0000 0.0000 51963.9855 -109847.8306 298.6377 -161811.8161 -109480.2583 298.7766 -89.7087 -60.6244 759838.8084 16.3373 16.3756 PRESSURE: 960600 253.37 -90.0403 -87.8113 -90.0406 -85.7388 -146.142 -87.8129 -146.141 -374.574 GPRESSURE: 960600 294.039 30.8452 -55.1374 -81.4441 -61.1452 -123.96 -90.9607 -3.65543 -353.384 PRESSAVG: 960600 14.9578 -20.0438 -27.7522 -20.0438 -0.539973 5.28584 -27.7523 5.28585 -8.7536 GPRESSAVG: 960600 16.2697 -17.8425 -25.8839 -19.9093 -2.36775 5.91682 -29.6648 6.14986 -8.10074 TIMING: 960600 CPU: 3038.36, 0.00319681/step Wall: 3038.36, 0.00319681/step, 3.587 hours remaining, 237.046875 MB of memory in use. ENERGY: 960600 4001.9921 20618.4133 14514.4517 283.5911 -203327.3439 2421.8327 0.0000 0.0000 51726.8291 -109760.2338 297.2748 -161487.0629 -109401.9271 299.1021 -68.9809 -40.1636 760789.3626 1.8881 1.9337 PRESSURE: 960800 -58.8139 -106.239 304.551 -106.24 -254.911 -37.8256 304.551 -37.8252 95.7142 GPRESSURE: 960800 -61.0814 -39.4739 228.779 -48.4567 -191.428 -86.5926 249.583 -79.3324 97.9005 PRESSAVG: 960800 5.96183 25.7831 8.31738 25.7831 4.68164 -6.89851 8.31742 -6.89853 19.8588 GPRESSAVG: 960800 5.53281 24.4896 4.80448 25.9969 4.70025 -7.4294 11.4701 -8.59677 20.6239 TIMING: 960800 CPU: 3038.99, 0.00317827/step Wall: 3038.99, 0.00317827/step, 3.56602 hours remaining, 237.046875 MB of memory in use. ENERGY: 960800 4074.4776 20478.2993 14450.7539 246.5442 -203949.6365 2708.3196 0.0000 0.0000 52053.0374 -109938.2045 299.1495 -161991.2419 -109574.4023 298.5726 -72.6701 -51.5363 760104.2413 10.1674 10.2856 PRESSURE: 961000 -263.341 -3.30572 25.3595 -3.30359 -29.4423 153.118 25.3598 153.119 -299.543 GPRESSURE: 961000 -267.172 -43.7442 104.294 -91.3079 27.637 55.8716 74.6875 172.373 -255.665 PRESSAVG: 961000 -39.4307 43.7525 19.2243 43.7526 59.1056 -31.0685 19.2243 -31.0685 -5.30925 GPRESSAVG: 961000 -38.9118 43.5656 20.1673 43.7037 59.0405 -31.3419 17.8657 -30.5529 -5.95092 TIMING: 961000 CPU: 3039.63, 0.00317609/step Wall: 3039.63, 0.00317609/step, 3.5634 hours remaining, 237.046875 MB of memory in use. ENERGY: 961000 4006.4556 20459.3303 14471.7175 230.0529 -203473.8346 2497.5359 0.0000 0.0000 52044.1962 -109764.5463 299.0987 -161808.7425 -109404.0160 298.6360 -197.4422 -165.0669 761271.9893 4.7886 4.7259 PRESSURE: 961200 -230.565 77.9559 -258.979 77.9564 116.575 182.724 -258.98 182.723 9.19576 GPRESSURE: 961200 -167.719 65.0173 -255.571 210.762 147.359 163.398 -102.12 199.171 -14.8095 PRESSAVG: 961200 -63.0285 16.849 -59.2484 16.849 73.6624 37.0984 -59.2483 37.0984 -12.5037 GPRESSAVG: 961200 -63.285 17.7992 -57.9699 17.6659 73.9623 36.5044 -58.9791 37.8094 -12.8723 TIMING: 961200 CPU: 3040.26, 0.00319194/step Wall: 3040.26, 0.00319194/step, 3.581 hours remaining, 237.046875 MB of memory in use. ENERGY: 961200 3968.6175 20607.5233 14522.9205 243.0270 -203525.7739 2516.7830 0.0000 0.0000 51825.5415 -109841.3611 297.8421 -161666.9026 -109486.8481 299.0971 -34.9316 -11.7230 759963.3972 -0.6233 -0.7317 PRESSURE: 961400 -224.845 159.684 -177.068 159.684 -83.8612 -91.7936 -177.068 -91.7934 -73.4258 GPRESSURE: 961400 -144.169 159.095 -80.5778 -12.0662 -72.9891 -143.525 -297.048 -114.501 -80.4238 PRESSAVG: 961400 9.02926 7.21253 -94.4814 7.2125 -54.4564 -50.5073 -94.4814 -50.5073 10.2391 GPRESSAVG: 961400 9.22219 4.70343 -94.6155 6.22095 -54.1917 -49.8447 -94.423 -50.7518 10.026 TIMING: 961400 CPU: 3040.9, 0.00316864/step Wall: 3040.9, 0.00316864/step, 3.55469 hours remaining, 237.046875 MB of memory in use. ENERGY: 961400 4072.3010 20428.1196 14523.8892 229.1760 -203637.2813 2542.9811 0.0000 0.0000 52153.7849 -109687.0294 299.7285 -161840.8143 -109317.4188 299.0654 -127.3774 -99.1941 759751.2290 -11.7293 -11.6479 PRESSURE: 961600 168.72 156.939 -123.358 156.94 210.342 175.966 -123.359 175.967 432.459 GPRESSURE: 961600 191.581 235.18 -5.79038 26.607 254.159 240.297 -229.99 48.4048 430.457 PRESSAVG: 961600 -35.6966 -6.24599 -51.5624 -6.24599 -10.8251 -2.25443 -51.5624 -2.2544 -1.68984 GPRESSAVG: 961600 -36.3056 -5.18303 -53.6579 -4.73045 -10.3604 -2.22739 -50.9417 -3.05015 -1.91175 TIMING: 961600 CPU: 3041.53, 0.00315567/step Wall: 3041.53, 0.00315567/step, 3.53996 hours remaining, 237.046875 MB of memory in use. ENERGY: 961600 3959.4686 20557.3500 14435.8908 254.7683 -203840.2841 3017.9845 0.0000 0.0000 51996.2843 -109618.5377 298.8234 -161614.8220 -109257.4952 299.3640 270.5067 292.0657 761520.6400 -16.0705 -16.1926 PRESSURE: 961800 -436.571 73.1626 22.7967 73.1622 -26.8597 58.9641 22.7966 58.9637 19.6291 GPRESSURE: 961800 -347.99 180.861 -36.1696 37.8077 3.38214 -4.40847 67.3441 134.622 4.8972 PRESSAVG: 961800 6.60683 -4.24912 -18.3622 -4.24914 10.2384 -8.35932 -18.3622 -8.35936 5.04498 GPRESSAVG: 961800 7.9309 -4.79023 -18.7964 -5.71766 10.6812 -7.48094 -18.4867 -8.0912 3.54342 TIMING: 961800 CPU: 3042.16, 0.00316594/step Wall: 3042.16, 0.00316594/step, 3.55131 hours remaining, 237.046875 MB of memory in use. ENERGY: 961800 4073.2780 20539.6111 14468.8810 245.7338 -203357.2538 2484.2599 0.0000 0.0000 51938.7302 -109606.7598 298.4926 -161545.4900 -109258.8786 299.3643 -147.9339 -113.2369 763375.0461 7.2967 7.3852 PRESSURE: 962000 83.4282 -180.186 36.916 -180.186 -46.7612 -101.858 36.9163 -101.857 101.399 GPRESSURE: 962000 193.665 -128.546 -20.5716 -120.593 -37.3768 -33.0704 137.971 -114.254 74.4255 PRESSAVG: 962000 -32.5579 -43.5154 23.9577 -43.5155 13.2412 -10.4678 23.9577 -10.4678 -11.8489 GPRESSAVG: 962000 -33.5935 -41.0748 23.9156 -43.9106 12.2532 -10.8431 25.7987 -11.0843 -9.78229 TIMING: 962000 CPU: 3042.8, 0.00318789/step Wall: 3042.8, 0.00318789/step, 3.57575 hours remaining, 237.046875 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: 962000 4022.2454 20509.3446 14403.1780 260.7521 -202946.4963 2219.7287 0.0000 0.0000 51906.1860 -109625.0615 298.3056 -161531.2475 -109254.9986 298.8434 46.0222 76.9045 760834.2777 -10.3885 -10.3742 PRESSURE: 962200 -208.34 151.495 125.565 151.495 -446.832 -10.8971 125.564 -10.8958 82.5398 GPRESSURE: 962200 -162.299 177.061 51.0952 86.7396 -336.146 69.7438 -61.5625 14.0377 19.8768 PRESSAVG: 962200 -23.361 -18.1941 -9.21031 -18.194 18.3202 5.48068 -9.21038 5.48069 4.39616 GPRESSAVG: 962200 -23.3935 -18.079 -8.00374 -16.3505 18.7161 3.9238 -11.2831 6.13508 4.10354 TIMING: 962200 CPU: 3043.44, 0.00320021/step Wall: 3043.44, 0.00320021/step, 3.58939 hours remaining, 237.046875 MB of memory in use. ENERGY: 962200 3981.9061 20488.2335 14391.0652 238.0022 -203021.3534 2406.1720 0.0000 0.0000 51745.5508 -109770.4236 297.3824 -161515.9744 -109408.3931 298.4706 -190.8773 -159.5227 761594.7939 -0.2149 -0.1913 PRESSURE: 962400 153.595 -248.29 154.346 -248.29 275.035 173.531 154.347 173.53 81.3498 GPRESSURE: 962400 151.756 -168.982 184.923 -111.547 233.167 225.735 164.735 55.0059 213.004 PRESSAVG: 962400 -69.2661 -59.2812 -0.00797924 -59.2812 59.9611 3.2673 -0.00798533 3.26728 -13.0149 GPRESSAVG: 962400 -69.0546 -58.5099 0.552749 -59.744 58.8882 3.95979 -0.335084 3.28293 -11.9918 TIMING: 962400 CPU: 3044.08, 0.0031918/step Wall: 3044.08, 0.0031918/step, 3.57979 hours remaining, 237.046875 MB of memory in use. ENERGY: 962400 3993.1238 20454.9631 14399.3004 238.7405 -203354.0409 2486.6318 0.0000 0.0000 51885.0231 -109896.2583 298.1839 -161781.2814 -109532.1237 298.4697 169.9934 199.3086 759897.2265 -7.4399 -7.3861 PRESSURE: 962600 59.3069 10.7365 183.539 10.7359 -309.172 -5.00753 183.539 -5.00708 4.60046 GPRESSURE: 962600 133.141 41.5452 161.664 -42.7882 -236.35 -26.3639 21.5175 -31.3771 -48.415 PRESSAVG: 962600 65.7408 23.9122 18.6308 23.9123 -40.1897 -44.0497 18.6308 -44.0497 14.5683 GPRESSAVG: 962600 66.3843 21.3469 18.6208 25.2279 -40.0455 -45.7571 20.038 -43.6143 13.3876 TIMING: 962600 CPU: 3044.72, 0.00319294/step Wall: 3044.72, 0.00319294/step, 3.58089 hours remaining, 237.046875 MB of memory in use. ENERGY: 962600 4124.4886 20347.8289 14369.2543 246.4069 -203770.8821 2812.9882 0.0000 0.0000 51967.7515 -109902.1636 298.6594 -161869.9151 -109539.9467 298.6298 -81.7550 -50.5413 760496.2818 13.3731 13.2421 PRESSURE: 962800 -311.898 -367.746 57.4175 -367.745 -56.7398 286.366 57.4161 286.367 46.1541 GPRESSURE: 962800 -251.044 -377.863 40.5782 -263.089 -98.724 274.282 200.327 266.691 117.884 PRESSAVG: 962800 0.0556262 -23.9343 -13.2906 -23.9344 -11.0268 -5.44494 -13.2906 -5.4449 -18.0372 GPRESSAVG: 962800 -0.573713 -24.1588 -13.4897 -23.6064 -9.96686 -2.37979 -13.4814 -5.7676 -18.4365 TIMING: 962800 CPU: 3045.36, 0.00320344/step Wall: 3045.36, 0.00320344/step, 3.59248 hours remaining, 237.046875 MB of memory in use. ENERGY: 962800 3938.7264 20524.7981 14394.2312 242.8116 -203268.1960 2448.9934 0.0000 0.0000 51878.4080 -109840.2276 298.1459 -161718.6355 -109484.1228 298.6708 -107.4947 -77.2947 761574.3526 -9.6694 -9.6590 PRESSURE: 963000 -185.606 -74.6664 336.862 -74.6668 -2.04142 -131.036 336.862 -131.036 49.6148 GPRESSURE: 963000 -199.221 27.3025 248.607 25.0177 -13.0153 -39.8903 307.38 -278.052 153.289 PRESSAVG: 963000 -14.4375 6.61902 82.0755 6.61901 28.2641 -9.69521 82.0756 -9.69514 19.8381 GPRESSAVG: 963000 -14.1483 8.47365 81.5687 6.15748 26.8645 -9.66573 81.3225 -9.48717 20.5587 TIMING: 963000 CPU: 3046, 0.00320131/step Wall: 3046, 0.00320131/step, 3.58992 hours remaining, 237.046875 MB of memory in use. ENERGY: 963000 3940.3472 20556.1182 14471.8928 252.5531 -203305.9409 2501.8574 0.0000 0.0000 51822.4471 -109760.7251 297.8243 -161583.1723 -109395.9929 298.4373 -46.0109 -19.6492 759634.8022 11.2216 11.0916 PRESSURE: 963200 -238.303 37.573 49.4526 37.5729 -55.473 -86.6417 49.4521 -86.6421 43.1661 GPRESSURE: 963200 -160.909 91.0389 79.9695 32.0959 -28.1128 -139.74 80.0895 35.5046 15.238 PRESSAVG: 963200 -12.3498 -11.1203 12.7645 -11.1202 47.0258 -17.8511 12.7645 -17.8511 -11.341 GPRESSAVG: 963200 -13.5008 -11.4719 12.8381 -11.439 48.5137 -21.0487 11.8135 -16.0788 -11.6621 TIMING: 963200 CPU: 3046.64, 0.00321149/step Wall: 3046.64, 0.00321149/step, 3.60115 hours remaining, 237.046875 MB of memory in use. ENERGY: 963200 3936.4013 20410.9137 14371.8834 243.1923 -203493.1278 2334.8267 0.0000 0.0000 52421.7126 -109774.1977 301.2683 -162195.9104 -109404.4150 298.6346 -83.5367 -57.9278 760829.9822 7.7783 7.7836 PRESSURE: 963400 257.118 55.7444 149.603 55.7436 -59.7184 -140.795 149.604 -140.797 -159.617 GPRESSURE: 963400 250.582 87.4174 153.508 113.259 -33.0449 -173.985 229.984 -97.1146 -77.5938 PRESSAVG: 963400 -15.3451 29.0318 38.1919 29.0317 16.2335 -65.8216 38.1919 -65.8216 -15.6283 GPRESSAVG: 963400 -15.2192 30.3684 39.5589 27.8431 15.538 -63.5218 38.5018 -67.6794 -14.9944 TIMING: 963400 CPU: 3047.28, 0.00318688/step Wall: 3047.28, 0.00318688/step, 3.57337 hours remaining, 237.046875 MB of memory in use. ENERGY: 963400 4035.6779 20472.6149 14440.8421 242.4660 -203490.9115 2684.4985 0.0000 0.0000 51869.8815 -109744.9306 298.0969 -161614.8121 -109386.4989 299.0052 12.5940 46.6477 760721.0278 -4.9133 -4.8919 PRESSURE: 963600 -96.2314 -136.824 33.6164 -136.825 89.0234 -162.146 33.6175 -162.146 -182.685 GPRESSURE: 963600 -163.765 -105.758 22.5213 -144.823 156.847 -161.752 -3.9075 -151.546 -80.5018 PRESSAVG: 963600 11.5913 -37.396 69.5773 -37.3959 -33.1187 -36.2326 69.5773 -36.2326 17.313 GPRESSAVG: 963600 12.1657 -40.3417 68.7952 -35.7454 -32.9932 -37.9425 69.3862 -36.3351 16.9188 TIMING: 963600 CPU: 3047.92, 0.00320313/step Wall: 3047.92, 0.00320313/step, 3.59142 hours remaining, 237.046875 MB of memory in use. ENERGY: 963600 3982.0145 20409.6838 14418.2172 252.3590 -203450.9052 2238.7333 0.0000 0.0000 52340.8124 -109809.0851 300.8034 -162149.8974 -109443.8079 298.7746 -63.2978 -29.1401 760950.8201 -1.4048 -1.3029 PRESSURE: 963800 -32.2556 124.49 -76.7486 124.49 -155.677 43.8897 -76.7488 43.8888 -217.764 GPRESSURE: 963800 -14.9676 115.672 -146.661 127.396 -67.0973 1.92657 -39.9222 140.821 -236.411 PRESSAVG: 963800 19.2843 11.9774 40.213 11.9774 -22.9725 8.4599 40.213 8.45995 20.2163 GPRESSAVG: 963800 18.8577 16.1878 38.9049 7.69151 -22.948 10.8177 42.059 7.01839 20.6946 TIMING: 963800 CPU: 3048.56, 0.00321021/step Wall: 3048.56, 0.00321021/step, 3.59918 hours remaining, 237.046875 MB of memory in use. ENERGY: 963800 4041.3984 20355.2497 14389.3750 239.3040 -203478.6612 2494.2443 0.0000 0.0000 52258.2672 -109700.8227 300.3290 -161959.0898 -109322.9727 298.9961 -135.2323 -106.1586 759690.6289 5.5094 5.5348 PRESSURE: 964000 242.745 -26.2089 -56.5712 -26.2083 -206.185 -102.682 -56.5706 -102.681 287.367 GPRESSURE: 964000 356.545 85.1025 -98.3279 -5.71034 -226.106 -82.5104 -16.3193 -97.2127 291.136 PRESSAVG: 964000 39.7977 -38.8357 16.6241 -38.8356 -54.5497 -81.3105 16.6241 -81.3105 -5.47566 GPRESSAVG: 964000 40.4753 -40.7469 15.5544 -36.2892 -54.5797 -81.1874 17.1515 -82.5828 -5.92257 TIMING: 964000 CPU: 3049.2, 0.00320131/step Wall: 3049.2, 0.00320131/step, 3.58902 hours remaining, 237.046875 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: 964000 3974.8053 20684.7263 14469.4683 254.8024 -203472.1672 2415.9066 0.0000 0.0000 51919.7265 -109752.7319 298.3834 -161672.4584 -109387.2764 299.0634 107.9760 140.5249 762843.9328 -6.7426 -6.6757 PRESSURE: 964200 192.368 161.877 -200.608 161.877 -226.603 177.372 -200.608 177.372 19.2942 GPRESSURE: 964200 150.434 138.265 -210.301 243.565 -128.656 181.001 -165.803 117.34 26.771 PRESSAVG: 964200 0.376832 43.8293 -31.4429 43.8293 -14.8595 -81.7258 -31.4429 -81.7258 -7.26521 GPRESSAVG: 964200 0.12705 42.3871 -29.6707 44.4346 -14.2776 -82.6234 -33.7886 -79.0339 -7.53694 TIMING: 964200 CPU: 3049.83, 0.00314785/step Wall: 3049.83, 0.00314785/step, 3.52891 hours remaining, 237.046875 MB of memory in use. ENERGY: 964200 4064.2496 20564.7456 14505.7741 266.2122 -203584.7262 2427.3136 0.0000 0.0000 51927.4766 -109828.9546 298.4279 -161756.4312 -109460.0047 298.2095 -4.9803 16.1830 762563.9359 -7.2493 -7.2292 LDB: ============= START OF LOAD BALANCING ============== 3062.28 LDB: ============== END OF LOAD BALANCING =============== 3062.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3062.28 LDB: ============= START OF LOAD BALANCING ============== 3062.6 LDB: Largest compute 7069 load 0.036263 is 18.6% of average load 0.195159 LDB: Average compute 0.004395 is 2.3% of average load 0.195159 LDB: TIME 3062.61 LOAD: AVG 0.195159 MAX 0.213476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.961 MB LDB: TIME 3062.61 LOAD: AVG 0.195159 MAX 0.213476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.055 MB LDB: TIME 3062.61 LOAD: AVG 0.195159 MAX 0.213476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.055 MB LDB: ============== END OF LOAD BALANCING =============== 3062.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3062.61 PRESSURE: 964400 -5.25239 -38.0354 25.3482 -38.0354 -230.994 -118.727 25.3483 -118.727 -242.808 GPRESSURE: 964400 -2.32683 -80.8223 1.7365 -74.4614 -194.468 -145.434 -59.744 -51.1307 -218.014 PRESSAVG: 964400 31.431 44.9013 6.62103 44.9014 -14.1425 51.5687 6.62107 51.5687 -4.40397 GPRESSAVG: 964400 30.4262 45.6568 6.33437 45.4498 -13.6849 52.8957 6.13986 51.072 -3.53989 TIMING: 964400 CPU: 3050.48, 0.003232/step Wall: 3050.48, 0.003232/step, 3.62307 hours remaining, 236.734375 MB of memory in use. ENERGY: 964400 4064.0726 20579.0385 14510.0873 258.6843 -203239.8680 2274.7074 0.0000 0.0000 51704.4303 -109848.8475 297.1461 -161553.2778 -109499.0858 298.8147 -159.6847 -138.2698 760762.3873 4.2948 4.4005 PRESSURE: 964600 188.644 -50.0918 -459.917 -50.0918 303.749 140.984 -459.917 140.984 160.59 GPRESSURE: 964600 158.445 -100.985 -416.407 -42.5094 398.642 133.174 -230.03 36.4051 177.458 PRESSAVG: 964600 10.6516 -40.5538 34.1628 -40.5538 18.7656 3.50101 34.1628 3.50111 -1.52059 GPRESSAVG: 964600 11.3436 -40.7064 32.8405 -41.5498 18.6822 1.24581 36.4287 3.11372 -1.56801 TIMING: 964600 CPU: 3051.12, 0.003194/step Wall: 3051.12, 0.003194/step, 3.5803 hours remaining, 236.804688 MB of memory in use. ENERGY: 964600 3901.1139 20453.6811 14454.3555 267.0954 -203164.5982 2411.4995 0.0000 0.0000 51820.1135 -109856.7394 297.8109 -161676.8528 -109497.1006 298.6256 217.6610 244.8484 758077.3062 9.2989 9.4859 PRESSURE: 964800 -245.661 58.596 142.993 58.5961 -159.664 8.94083 142.992 8.94147 -11.5378 GPRESSURE: 964800 -139.318 74.7473 188.374 -38.146 -182.546 9.01604 -7.30354 -36.6998 -16.191 PRESSAVG: 964800 18.7834 -54.7703 -50.3074 -54.7703 -20.9969 -45.1007 -50.3074 -45.1007 8.26199 GPRESSAVG: 964800 19.4979 -53.4683 -49.6686 -54.8672 -21.3705 -45.4297 -51.7499 -44.2886 7.57194 TIMING: 964800 CPU: 3051.75, 0.00318726/step Wall: 3051.75, 0.00318726/step, 3.57256 hours remaining, 236.804688 MB of memory in use. ENERGY: 964800 3937.7970 20441.3714 14451.5483 245.3862 -203084.3729 2435.8574 0.0000 0.0000 51884.0287 -109688.3838 298.1782 -161572.4125 -109325.6933 298.3393 -138.9542 -112.6850 760248.7231 2.0162 1.8998 PRESSURE: 965000 72.2422 -45.5847 -91.8598 -45.5849 -491.983 -115.856 -91.86 -115.856 -117.832 GPRESSURE: 965000 132.958 125.726 -141.409 -32.0043 -480.207 -128.494 -85.6803 83.4337 -105.717 PRESSAVG: 965000 52.8512 -33.7525 -4.33454 -33.7524 -47.6011 24.8106 -4.33459 24.8106 1.8154 GPRESSAVG: 965000 52.2615 -31.4907 -3.82919 -33.2437 -47.4964 27.6468 -3.59711 23.2645 2.25112 TIMING: 965000 CPU: 3052.39, 0.00318265/step Wall: 3052.39, 0.00318265/step, 3.56722 hours remaining, 236.804688 MB of memory in use. ENERGY: 965000 3925.3547 20481.9168 14457.2887 250.3863 -202611.4045 2018.4474 0.0000 0.0000 51943.8083 -109534.2024 298.5218 -161478.0107 -109170.5633 298.2809 -179.1910 -150.9886 761492.5354 2.3552 2.3387 PRESSURE: 965200 -124.329 98.9569 -71.6909 98.9573 -42.5456 -224.311 -71.6911 -224.311 -144.168 GPRESSURE: 965200 -113.969 82.38 122.459 -36.3348 88.892 -157.959 -164.621 -179.045 -188.651 PRESSAVG: 965200 63.4711 -17.9469 -61.6164 -17.9469 -22.8561 -24.7532 -61.6163 -24.7532 -3.45898 GPRESSAVG: 965200 64.1864 -21.0415 -61.6546 -18.5044 -23.2718 -26.0801 -62.007 -24.5499 -4.04654 TIMING: 965200 CPU: 3053.03, 0.00318106/step Wall: 3053.03, 0.00318106/step, 3.56526 hours remaining, 236.804688 MB of memory in use. ENERGY: 965200 4000.4222 20351.0257 14529.5375 246.9879 -203018.7522 2537.5748 0.0000 0.0000 51851.9683 -109501.2358 297.9940 -161353.2042 -109140.9701 298.6082 -103.6808 -71.2427 762768.5362 12.3854 12.2893 PRESSURE: 965400 41.4739 -172.503 59.435 -172.502 92.1483 17.3633 59.4351 17.3628 262.174 GPRESSURE: 965400 118.656 -303.188 92.8241 -82.528 37.2576 -18.7957 135.678 -78.8934 305.773 PRESSAVG: 965400 -5.80148 -74.3542 -20.8632 -74.3541 -13.2193 -6.31337 -20.8631 -6.31332 7.47071 GPRESSAVG: 965400 -7.16229 -73.2878 -19.5704 -74.677 -13.1882 -5.59991 -24.3997 -6.00952 8.77912 TIMING: 965400 CPU: 3053.66, 0.00318905/step Wall: 3053.66, 0.00318905/step, 3.57404 hours remaining, 236.804688 MB of memory in use. ENERGY: 965400 3890.2462 20481.6597 14526.9427 267.0685 -203181.2214 2572.8090 0.0000 0.0000 52182.0516 -109260.4437 299.8910 -161442.4953 -108893.7954 298.8379 131.9322 153.8955 761216.9312 -3.8500 -3.8571 PRESSURE: 965600 119.777 -18.6696 -63.2194 -18.6699 21.7086 120.159 -63.2192 120.159 89.2025 GPRESSURE: 965600 200.59 -61.3842 -70.1184 9.6973 -18.274 128.05 31.1992 137.545 128.792 PRESSAVG: 965600 -25.8976 -6.68413 15.3051 -6.68419 14.9505 15.3398 15.3051 15.3398 0.0287974 GPRESSAVG: 965600 -25.3424 -6.8003 14.7618 -6.71898 15.1584 15.2953 18.2982 13.8251 -0.968529 TIMING: 965600 CPU: 3054.3, 0.00317369/step Wall: 3054.3, 0.00317369/step, 3.55665 hours remaining, 236.804688 MB of memory in use. ENERGY: 965600 3970.8265 20547.2524 14425.6970 234.9290 -203480.0043 2550.8514 0.0000 0.0000 52352.6338 -109397.8141 300.8713 -161750.4480 -109036.4024 298.9145 76.8960 103.7025 761426.6730 -3.6394 -3.7175 PRESSURE: 965800 77.7255 32.6688 -189.153 32.6698 53.1693 96.3793 -189.154 96.3785 -30.5315 GPRESSURE: 965800 121.585 52.4175 -145.772 -85.4502 30.0671 79.9455 -225.127 40.9152 32.6806 PRESSAVG: 965800 24.0683 -38.8022 1.08717 -38.8022 16.3346 -60.1584 1.08721 -60.1584 2.99165 GPRESSAVG: 965800 24.3588 -39.8406 0.0721876 -38.4599 16.5155 -61.224 2.71312 -61.3448 2.23979 TIMING: 965800 CPU: 3054.93, 0.00316829/step Wall: 3054.93, 0.00316829/step, 3.55042 hours remaining, 236.804688 MB of memory in use. ENERGY: 965800 3985.7062 20497.4459 14456.6361 243.1577 -203185.6998 2551.2207 0.0000 0.0000 52162.2462 -109289.2870 299.7771 -161451.5333 -108929.8378 299.3728 33.4544 61.4442 761061.9535 14.4649 14.3714 PRESSURE: 966000 -331.727 107.673 -32.6147 107.673 99.018 47.8891 -32.614 47.889 167.47 GPRESSURE: 966000 -244.143 122.666 -114.917 100.356 130.889 37.3336 -18.1483 15.1673 137.886 PRESSAVG: 966000 33.779 13.4231 -14.3543 13.4231 -20.5625 -22.6631 -14.3543 -22.663 14.9762 GPRESSAVG: 966000 33.9633 13.9823 -14.1571 13.7498 -21.8734 -22.6023 -15.3044 -20.4655 16.1689 TIMING: 966000 CPU: 3055.57, 0.00318682/step Wall: 3055.57, 0.00318682/step, 3.57101 hours remaining, 236.804688 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: 966000 3971.6050 20621.0404 14442.6395 245.6957 -203461.1020 2919.8831 0.0000 0.0000 51825.7288 -109434.5096 297.8432 -161260.2384 -109066.7566 299.4197 -21.7463 8.2107 761994.1219 9.3975 9.4196 PRESSURE: 966200 47.0257 -167.654 -11.5632 -167.654 -359.741 -1.24896 -11.5633 -1.24803 -514.76 GPRESSURE: 966200 21.5522 -158.298 60.4052 11.2861 -301.984 35.4772 51.5069 -7.13751 -447.651 PRESSAVG: 966200 -38.4888 -24.833 41.0945 -24.8331 1.2094 -31.7058 41.0946 -31.7057 -5.15381 GPRESSAVG: 966200 -38.836 -24.8063 42.5483 -25.3163 3.20706 -32.7388 40.8763 -29.6189 -6.1607 TIMING: 966200 CPU: 3056.21, 0.00318315/step Wall: 3056.21, 0.00318315/step, 3.56672 hours remaining, 236.804688 MB of memory in use. ENERGY: 966200 4013.8283 20466.7778 14472.1847 244.1115 -203469.8072 2596.5352 0.0000 0.0000 52192.5447 -109483.8248 299.9513 -161676.3696 -109121.9173 299.1185 -275.8253 -242.6941 762038.0177 -14.1444 -13.9299 PRESSURE: 966400 68.4563 -33.9566 -51.227 -33.9571 -71.1542 -1.62752 -51.227 -1.62805 -226.387 GPRESSURE: 966400 -8.09528 2.75085 -104.244 4.09145 -41.8938 23.9373 -70.9662 -25.5823 -91.9505 PRESSAVG: 966400 11.309 -0.530459 33.4931 -0.530558 20.5458 2.05187 33.4932 2.05179 -19.3369 GPRESSAVG: 966400 11.7876 -0.948246 34.5432 -1.57376 19.3299 5.41816 30.8314 -0.304993 -18.4946 TIMING: 966400 CPU: 3056.85, 0.00320147/step Wall: 3056.85, 0.00320147/step, 3.58707 hours remaining, 236.804688 MB of memory in use. ENERGY: 966400 4015.4054 20414.5231 14554.2275 244.7729 -203238.9675 2520.2565 0.0000 0.0000 52059.0034 -109430.7787 299.1838 -161489.7821 -109056.5563 299.5840 -76.3617 -47.3132 761136.5891 4.1726 4.2076 PRESSURE: 966600 326.967 -144.912 31.7581 -144.912 271.494 -12.104 31.759 -12.1034 374.961 GPRESSURE: 966600 276.289 -140.337 63.5447 -96.175 366.471 -26.8181 123.093 -114.537 415.415 PRESSAVG: 966600 -42.7642 -38.5378 6.58701 -38.5378 -43.6488 24.5283 6.58704 24.5284 2.50552 GPRESSAVG: 966600 -42.8246 -38.6756 6.01272 -36.2028 -43.9001 22.9128 10.3542 26.2606 1.91875 TIMING: 966600 CPU: 3057.48, 0.00316515/step Wall: 3057.48, 0.00316515/step, 3.5462 hours remaining, 236.804688 MB of memory in use. ENERGY: 966600 3970.3385 20491.1545 14443.3555 271.8992 -203281.4874 2676.7175 0.0000 0.0000 52059.1637 -109368.8584 299.1847 -161428.0221 -109005.0610 298.8397 324.4740 352.7252 762694.6276 -27.9692 -28.2687 PRESSURE: 966800 241.441 -96.2131 -211.33 -96.2136 -182.737 131.786 -211.33 131.786 -185.454 GPRESSURE: 966800 313.229 -80.7803 -173.127 -9.12387 -152.857 90.4502 -360.433 79.0194 -196.563 PRESSAVG: 966800 71.3417 -51.4024 -74.9355 -51.4025 23.1606 -4.34509 -74.9355 -4.34514 19.3326 GPRESSAVG: 966800 71.1551 -51.7013 -75.3182 -51.4465 23.2835 -3.82134 -78.258 -3.86856 19.165 TIMING: 966800 CPU: 3058.11, 0.00316633/step Wall: 3058.11, 0.00316633/step, 3.54734 hours remaining, 236.804688 MB of memory in use. ENERGY: 966800 4107.6220 20474.1525 14576.6548 239.7164 -203254.3709 2496.8345 0.0000 0.0000 51814.3443 -109545.0463 297.7777 -161359.3906 -109199.2813 299.0570 -42.2501 -12.0635 761317.4129 37.9450 37.8679 PRESSURE: 967000 -93.3862 -364.684 67.3576 -364.684 -109.702 85.3944 67.3574 85.3946 60.4688 GPRESSURE: 967000 -78.5233 -364.877 11.7787 -349.355 -52.9514 89.1774 65.4166 97.0352 47.9894 PRESSAVG: 967000 10.1026 -61.1649 36.3947 -61.165 -20.5462 11.4419 36.3946 11.4419 1.86647 GPRESSAVG: 967000 10.6405 -60.0603 35.5903 -62.2581 -20.7905 12.1337 37.9526 9.33908 1.61541 TIMING: 967000 CPU: 3058.75, 0.00318152/step Wall: 3058.75, 0.00318153/step, 3.56419 hours remaining, 236.804688 MB of memory in use. ENERGY: 967000 3918.3495 20450.4171 14528.2354 250.4178 -203458.8118 2627.8863 0.0000 0.0000 51854.0543 -109829.4514 298.0060 -161683.5057 -109455.2238 298.4133 -47.5399 -27.8284 762271.3893 -2.8590 -2.8448 PRESSURE: 967200 556.364 82.6803 -43.3338 82.6812 0.911035 153.515 -43.3335 153.515 -175.469 GPRESSURE: 967200 589.139 85.9652 -73.7589 80.8092 72.1397 177.722 -17.9204 189.275 -191.166 PRESSAVG: 967200 1.46953 -45.9842 26.6688 -45.9842 -13.3408 -12.1738 26.6689 -12.1738 -3.6347 GPRESSAVG: 967200 1.95681 -46.8115 26.5829 -47.7942 -13.7097 -14.3109 25.4592 -10.3318 -3.60669 TIMING: 967200 CPU: 3059.39, 0.00320574/step Wall: 3059.39, 0.00320574/step, 3.59114 hours remaining, 236.804688 MB of memory in use. ENERGY: 967200 3921.6712 20419.0452 14498.0454 228.7451 -203672.6647 2748.2397 0.0000 0.0000 51946.6841 -109910.2340 298.5383 -161856.9181 -109531.8313 298.1421 127.2686 156.7043 761206.3120 -5.1686 -5.1198 PRESSURE: 967400 -388.906 58.5664 19.5132 58.5653 -154.397 -158.663 19.513 -158.663 168.872 GPRESSURE: 967400 -442.45 14.6967 23.8569 77.4715 -16.9997 -231.171 -90.5459 -43.6427 177.825 PRESSAVG: 967400 99.6905 -33.0921 -48.0224 -33.0921 -100.88 43.1673 -48.0225 43.1673 -17.6908 GPRESSAVG: 967400 97.7761 -33.4059 -47.6955 -31.651 -99.6167 43.0361 -48.2293 43.4739 -17.2677 TIMING: 967400 CPU: 3060.02, 0.00316734/step Wall: 3060.02, 0.00316734/step, 3.54795 hours remaining, 236.804688 MB of memory in use. ENERGY: 967400 3996.5298 20218.5966 14489.5747 253.2064 -203438.0465 2653.5154 0.0000 0.0000 51949.8667 -109876.7570 298.5566 -161826.6237 -109501.4917 298.1506 -124.8100 -93.8748 761911.1996 -6.2936 -6.3694 PRESSURE: 967600 -152.879 20.7519 -66.7724 20.7533 -162.314 -26.9354 -66.7723 -26.9354 -122.172 GPRESSURE: 967600 -133.563 -17.6668 -30.3296 39.0837 -150.222 -36.3519 -232.62 59.5767 -80.8303 PRESSAVG: 967600 -6.13868 3.02588 -25.5209 3.0259 22.0296 1.24243 -25.5209 1.24247 -8.6898 GPRESSAVG: 967600 -7.09373 4.30165 -27.1007 3.93338 22.366 0.73696 -25.3373 0.233301 -7.87129 TIMING: 967600 CPU: 3060.65, 0.0031564/step Wall: 3060.65, 0.0031564/step, 3.53552 hours remaining, 236.804688 MB of memory in use. ENERGY: 967600 3929.0624 20527.8430 14501.6480 265.6905 -203305.9967 2653.3127 0.0000 0.0000 51630.5068 -109797.9333 296.7212 -161428.4401 -109443.5625 298.0273 -145.7884 -121.5385 762615.2867 2.4004 2.4670 PRESSURE: 967800 -184.915 178.598 82.5297 178.596 -28.6093 -98.329 82.5294 -98.3281 81.8334 GPRESSURE: 967800 -128.553 165.307 54.289 130.359 57.4237 53.0649 20.7002 -145.715 19.1778 PRESSAVG: 967800 82.7412 30.5559 13.0713 30.5559 -37.2412 22.2012 13.0713 22.2012 19.2494 GPRESSAVG: 967800 84.7584 31.2435 15.9013 29.1077 -38.3044 24.1663 13.4648 22.759 17.9035 TIMING: 967800 CPU: 3061.29, 0.00318146/step Wall: 3061.29, 0.00318146/step, 3.56341 hours remaining, 236.804688 MB of memory in use. ENERGY: 967800 3928.9370 20386.1848 14506.2986 235.5888 -203442.7771 2705.6709 0.0000 0.0000 51949.8961 -109730.2009 298.5568 -161680.0970 -109370.7239 298.1395 -43.8969 -17.3173 762670.8782 21.5831 21.4525 PRESSURE: 968000 107.319 -91.7419 87.9912 -91.7415 23.6806 188.654 87.9911 188.653 245.795 GPRESSURE: 968000 118.066 -119.144 -17.2512 -98.9245 77.6157 223.876 16.1791 102.31 248.543 PRESSAVG: 968000 28.5143 -17.477 -35.2106 -17.477 -32.1201 18.9598 -35.2107 18.9598 15.1139 GPRESSAVG: 968000 27.0821 -20.0365 -36.2522 -16.7272 -30.734 17.5429 -35.1747 19.5923 15.4128 TIMING: 968000 CPU: 3061.93, 0.00317516/step Wall: 3061.93, 0.00317516/step, 3.55617 hours remaining, 236.804688 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: 968000 3899.9482 20329.2252 14549.3965 234.7376 -203338.3177 2586.0449 0.0000 0.0000 51807.0555 -109931.9098 297.7359 -161738.9653 -109569.1609 298.1624 125.5979 148.0749 761908.4318 3.8360 3.9203 PRESSURE: 968200 -293.297 -5.55249 -58.2938 -5.55302 -231.352 -108.741 -58.2925 -108.741 -4.04617 GPRESSURE: 968200 -305.673 -112.36 -22.5593 15.0608 -145.838 -45.2409 -30.2668 -156.529 17.0124 PRESSAVG: 968200 -25.9572 -77.0057 39.6975 -77.0057 -29.0001 -20.2904 39.6975 -20.2903 -6.1551 GPRESSAVG: 968200 -24.2685 -77.214 38.8107 -77.2052 -29.3367 -21.1272 40.4704 -22.1721 -6.91613 TIMING: 968200 CPU: 3062.57, 0.00319899/step Wall: 3062.57, 0.00319899/step, 3.58269 hours remaining, 236.804688 MB of memory in use. ENERGY: 968200 4044.0420 20219.6691 14612.4537 240.5124 -203566.7599 2512.2151 0.0000 0.0000 52052.8758 -109884.9918 299.1486 -161937.8676 -109522.3252 298.5081 -176.2317 -144.8330 761029.2142 -20.3708 -20.1738 LDB: ============= START OF LOAD BALANCING ============== 3075.03 LDB: ============== END OF LOAD BALANCING =============== 3075.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3075.03 LDB: ============= START OF LOAD BALANCING ============== 3075.35 LDB: Largest compute 7069 load 0.035237 is 18.1% of average load 0.195081 LDB: Average compute 0.004413 is 2.3% of average load 0.195081 LDB: TIME 3075.35 LOAD: AVG 0.195081 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.25 MB LDB: TIME 3075.35 LOAD: AVG 0.195081 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: TIME 3075.35 LOAD: AVG 0.195081 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: ============== END OF LOAD BALANCING =============== 3075.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3075.36 PRESSURE: 968400 89.649 -96.2484 88.7025 -96.2489 0.357677 71.9581 88.7036 71.9579 -165.456 GPRESSURE: 968400 104.715 4.08736 45.8361 -101.719 23.6541 114.961 77.6626 93.7447 -133.571 PRESSAVG: 968400 1.72688 1.25645 14.7636 1.25646 -8.58814 -33.4594 14.7636 -33.4594 4.47917 GPRESSAVG: 968400 2.56742 1.4771 15.2326 1.55399 -10.8489 -31.0581 13.7526 -32.4444 5.84383 TIMING: 968400 CPU: 3063.22, 0.00328436/step Wall: 3063.22, 0.00328436/step, 3.67812 hours remaining, 237.246094 MB of memory in use. ENERGY: 968400 3999.6164 20489.8830 14523.8759 236.4785 -203776.8223 2946.0215 0.0000 0.0000 51727.0914 -109853.8556 297.2763 -161580.9470 -109505.3027 298.1304 -25.1496 -1.7338 760543.2075 -0.7940 -0.8125 PRESSURE: 968600 -239.032 -9.3828 -269.775 -9.38248 -32.0828 -33.5514 -269.774 -33.5512 -424.414 GPRESSURE: 968600 -170.034 50.0262 -260.533 -110.165 -60.3622 52.3068 -318.086 -91.0299 -372.681 PRESSAVG: 968600 28.5318 14.6668 -20.9263 14.6668 -45.8666 22.0044 -20.9262 22.0045 -19.4047 GPRESSAVG: 968600 26.5104 13.9903 -20.8295 14.0317 -43.3181 22.3451 -22.5299 23.0584 -19.8011 TIMING: 968600 CPU: 3063.86, 0.0031671/step Wall: 3063.86, 0.0031671/step, 3.54662 hours remaining, 237.652344 MB of memory in use. ENERGY: 968600 4006.1041 20542.4941 14500.8200 245.8425 -203183.9429 2210.4467 0.0000 0.0000 52075.0179 -109603.2175 299.2758 -161678.2355 -109239.8092 298.5955 -231.8430 -201.0258 761000.0102 -12.2465 -12.2029 PRESSURE: 968800 -233.457 94.7919 -26.0772 94.7909 -544.442 -66.91 -26.077 -66.9115 -347.704 GPRESSURE: 968800 -195.814 155.088 -16.819 118.06 -442.08 -48.1086 -15.4167 -16.832 -387.681 PRESSAVG: 968800 -9.2923 -11.0805 -8.03202 -11.0806 -14.4126 0.556611 -8.03208 0.556542 7.16091 GPRESSAVG: 968800 -9.17252 -10.3877 -6.63581 -8.94632 -15.0959 -1.08627 -7.4964 1.2057 6.79176 TIMING: 968800 CPU: 3064.49, 0.00318167/step Wall: 3064.49, 0.00318167/step, 3.56276 hours remaining, 237.652344 MB of memory in use. ENERGY: 968800 4011.2094 20348.7817 14505.5285 245.9044 -202670.5131 2004.3239 0.0000 0.0000 51896.3074 -109658.4578 298.2488 -161554.7653 -109293.1816 298.6416 -375.2009 -341.8584 762345.1183 -5.5147 -5.8256 PRESSURE: 969000 -59.1032 -197.164 -314.128 -197.164 -225.974 163.371 -314.128 163.371 -222.925 GPRESSURE: 969000 -14.9061 -213.237 -322.844 -213.346 -222.955 207.01 -359.906 105.95 -183.228 PRESSAVG: 969000 0.62123 -62.8478 -62.5864 -62.8479 -29.461 51.1432 -62.5863 51.1432 -13.9123 GPRESSAVG: 969000 1.08143 -62.3298 -62.0699 -64.6429 -29.9938 51.9673 -63.3852 48.391 -14.3266 TIMING: 969000 CPU: 3065.13, 0.0031785/step Wall: 3065.13, 0.0031785/step, 3.55904 hours remaining, 237.652344 MB of memory in use. ENERGY: 969000 3993.4966 20314.6732 14420.1301 242.5530 -203553.3574 2816.4809 0.0000 0.0000 52084.0676 -109681.9559 299.3279 -161766.0235 -109328.8871 298.6003 -169.3341 -140.3629 763054.2592 -14.2507 -14.4130 PRESSURE: 969200 62.9855 -40.8804 -117.335 -40.8805 -21.2976 4.4814 -117.334 4.48185 -232.23 GPRESSURE: 969200 -0.687782 -141.54 -121.813 -20.3088 45.9669 -11.9498 -45.8447 65.6002 -155.951 PRESSAVG: 969200 16.0847 -20.5687 -18.9487 -20.5688 -38.0468 28.0643 -18.9487 28.0643 23.611 GPRESSAVG: 969200 15.3647 -21.5741 -20.0891 -19.3635 -37.8412 27.7587 -17.9559 29.3542 23.7341 TIMING: 969200 CPU: 3065.76, 0.00317156/step Wall: 3065.76, 0.00317156/step, 3.55109 hours remaining, 237.722656 MB of memory in use. ENERGY: 969200 3952.7492 20373.2353 14459.2208 268.2377 -203140.5020 2297.5892 0.0000 0.0000 52224.4159 -109565.0539 300.1344 -161789.4699 -109195.3800 299.1059 -63.5141 -36.8905 761930.7365 0.5496 0.4192 PRESSURE: 969400 -267.787 -9.36427 89.0302 -9.36323 -461.868 -132.153 89.0302 -132.153 -411.287 GPRESSURE: 969400 -187.3 -64.8212 1.22666 63.3305 -398.179 -178.021 3.0811 -88.2638 -468.816 PRESSAVG: 969400 -8.22081 18.9288 -40.6283 18.9289 -22.4844 -34.4089 -40.6283 -34.409 16.742 GPRESSAVG: 969400 -8.38534 18.5991 -42.6681 17.907 -21.495 -35.4763 -38.538 -33.5716 15.5237 TIMING: 969400 CPU: 3066.4, 0.00316718/step Wall: 3066.4, 0.00316718/step, 3.54601 hours remaining, 237.722656 MB of memory in use. ENERGY: 969400 4055.5350 20544.3501 14429.5596 240.1406 -202972.9434 2305.7375 0.0000 0.0000 51952.7112 -109444.9094 298.5729 -161397.6207 -109090.1365 299.0821 -380.3141 -351.4314 762095.0723 -4.6544 -4.7855 PRESSURE: 969600 -186.687 -13.9249 -60.2773 -13.9251 100.912 -60.0239 -60.2769 -60.0244 161.159 GPRESSURE: 969600 -32.0612 -84.7868 -69.8013 -13.5935 54.7301 -55.9838 -131.618 -160.656 135.04 PRESSAVG: 969600 -67.4828 -39.0412 -24.2333 -39.0412 24.4084 -67.0102 -24.2333 -67.0102 -7.04822 GPRESSAVG: 969600 -66.1384 -38.4147 -22.2469 -37.3632 23.1803 -66.8274 -26.5685 -68.2083 -6.83043 TIMING: 969600 CPU: 3067.03, 0.00318377/step Wall: 3067.03, 0.00318377/step, 3.5644 hours remaining, 237.722656 MB of memory in use. ENERGY: 969600 3980.2975 20500.3512 14446.4760 236.4782 -203041.9734 2526.0890 0.0000 0.0000 51897.5479 -109454.7336 298.2559 -161352.2815 -109100.4085 299.1260 25.1282 52.5696 760470.0994 -16.7075 -16.5962 PRESSURE: 969800 -117.946 -185.783 -116.217 -185.783 -5.18059 28.8538 -116.218 28.8538 -283.569 GPRESSURE: 969800 -138.804 -138.795 -170.201 -197.296 130.935 -24.216 26.0344 28.7469 -314.837 PRESSAVG: 969800 32.7971 -50.6967 -53.3156 -50.6967 -7.74652 -18.4005 -53.3155 -18.4005 19.1232 GPRESSAVG: 969800 31.1645 -51.0748 -55.005 -51.6004 -6.67614 -18.1043 -51.2293 -18.9207 19.9157 TIMING: 969800 CPU: 3067.67, 0.00316763/step Wall: 3067.67, 0.00316763/step, 3.54616 hours remaining, 237.722656 MB of memory in use. ENERGY: 969800 4046.0199 20531.1340 14427.3957 262.6693 -203077.5490 2382.7187 0.0000 0.0000 51999.0145 -109428.5969 298.8391 -161427.6114 -109061.8431 299.3507 -135.5652 -107.5684 761241.9173 14.7246 14.8013 PRESSURE: 970000 -131.011 236.34 137.472 236.34 -69.4683 -51.2291 137.472 -51.2288 112.304 GPRESSURE: 970000 -66.9253 144.721 191.154 99.019 -95.5617 -62.6677 103.221 -29.49 163.501 PRESSAVG: 970000 43.4112 30.718 -75.2746 30.718 -39.8204 -54.6973 -75.2745 -54.6972 -36.8212 GPRESSAVG: 970000 44.7937 31.3084 -72.8181 29.2872 -40.8264 -53.7661 -77.5807 -53.6054 -36.6497 TIMING: 970000 CPU: 3068.3, 0.00316918/step Wall: 3068.3, 0.00316918/step, 3.54772 hours remaining, 237.722656 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: 970000 4001.6846 20686.8647 14551.7067 249.3813 -203323.0304 2614.0874 0.0000 0.0000 51919.8563 -109299.4494 298.3841 -161219.3057 -108949.7956 299.4761 -29.3917 0.3381 760585.1417 -11.0768 -10.8941 PRESSURE: 970200 -318.062 -166.301 -19.3554 -166.301 -346.509 -75.0211 -19.3547 -75.0208 231.018 GPRESSURE: 970200 -358.174 -99.0381 18.6024 -90.405 -258.897 -119.242 103.971 -23.0951 267.454 PRESSAVG: 970200 27.2748 -17.2041 -42.708 -17.2041 16.7312 6.0188 -42.708 6.0188 10.7858 GPRESSAVG: 970200 25.9851 -18.013 -44.0132 -16.6663 16.9337 3.38365 -39.8139 8.93565 11.2349 TIMING: 970200 CPU: 3068.94, 0.00318514/step Wall: 3068.94, 0.00318514/step, 3.56541 hours remaining, 237.722656 MB of memory in use. ENERGY: 970200 3945.1559 20348.1448 14539.1101 252.4841 -202736.6979 2253.6628 0.0000 0.0000 51863.8634 -109534.2767 298.0623 -161398.1401 -109170.9964 299.2508 -144.5177 -116.5389 761570.9649 18.2639 18.0513 PRESSURE: 970400 62.4254 349.416 -134.586 349.417 -266.298 -83.4292 -134.586 -83.4299 -421.741 GPRESSURE: 970400 81.7388 390.938 -177.052 206.185 -205.209 -34.436 -155.25 -93.1203 -432.772 PRESSAVG: 970400 -3.59882 -7.1821 -13.8227 -7.18198 -37.1679 -26.8481 -13.8227 -26.8481 18.3866 GPRESSAVG: 970400 -2.96342 -7.70084 -12.7105 -7.34878 -36.6282 -25.5301 -16.0145 -28.7844 16.9739 TIMING: 970400 CPU: 3069.57, 0.00314287/step Wall: 3069.57, 0.00314287/step, 3.51792 hours remaining, 237.722656 MB of memory in use. ENERGY: 970400 3962.8063 20478.3119 14446.0816 249.1226 -203014.5996 2454.8664 0.0000 0.0000 52030.0405 -109393.3703 299.0174 -161423.4108 -109025.8371 298.6916 -208.5377 -185.4139 760263.1250 -7.4600 -7.5392 PRESSURE: 970600 208.021 114.259 46.8434 114.259 243.953 152.158 46.8429 152.158 -244.041 GPRESSURE: 970600 142.577 87.5051 93.5585 8.25702 274.576 208.605 -19.1077 112.96 -129.713 PRESSAVG: 970600 67.4719 50.0733 -2.76643 50.0732 -92.0879 -10.9704 -2.76642 -10.9703 -14.9614 GPRESSAVG: 970600 65.725 50.1458 -2.43342 50.3811 -91.6864 -10.7494 -1.21119 -11.5262 -13.0257 TIMING: 970600 CPU: 3070.2, 0.00319289/step Wall: 3070.2, 0.00319289/step, 3.57373 hours remaining, 237.722656 MB of memory in use. ENERGY: 970600 3955.5687 20597.4577 14485.5435 240.2970 -203379.4204 2421.6405 0.0000 0.0000 52213.3658 -109465.5472 300.0709 -161678.9130 -109098.1255 299.3312 69.3112 95.8133 759272.8450 -13.1925 -12.9957 PRESSURE: 970800 41.727 -41.1769 -35.4881 -41.1763 55.4386 56.4053 -35.489 56.4059 285.266 GPRESSURE: 970800 128.179 17.0806 -85.3344 -112.543 22.8203 69.1027 -25.2597 66.6086 290.885 PRESSAVG: 970800 12.0748 4.51198 14.6934 4.51199 -49.0988 27.0325 14.6934 27.0325 9.45381 GPRESSAVG: 970800 13.7786 5.14186 12.8281 4.60168 -49.1347 26.2537 14.9665 26.6305 8.24403 TIMING: 970800 CPU: 3070.84, 0.0031968/step Wall: 3070.84, 0.0031968/step, 3.57793 hours remaining, 237.722656 MB of memory in use. ENERGY: 970800 3938.6235 20477.3843 14480.7617 255.9488 -203210.2289 2634.2363 0.0000 0.0000 51935.4716 -109487.8027 298.4739 -161423.2743 -109125.8993 299.1158 127.4771 147.2949 761962.9053 -9.1901 -9.0374 PRESSURE: 971000 102.583 -52.6856 -34.1068 -52.686 48.6283 213.078 -34.1079 213.078 61.7827 GPRESSURE: 971000 77.9817 -138.264 -82.8934 5.81512 94.5758 208.822 120.468 284.356 137.268 PRESSAVG: 971000 22.6547 8.69614 -8.99211 8.69614 -15.4965 18.7482 -8.99213 18.7483 -5.64796 GPRESSAVG: 971000 22.863 6.26582 -9.54139 10.0013 -15.624 18.3642 -9.27911 20.6405 -5.58306 TIMING: 971000 CPU: 3071.48, 0.00317023/step Wall: 3071.48, 0.00317023/step, 3.54802 hours remaining, 237.722656 MB of memory in use. ENERGY: 971000 3938.6991 20436.7225 14483.7937 232.0930 -203329.8039 2474.6474 0.0000 0.0000 52337.8597 -109425.9885 300.7864 -161763.8482 -109062.2448 299.0900 70.9981 103.2752 760985.9277 0.5034 0.5520 PRESSURE: 971200 -370.529 38.4739 243.021 38.4741 -337.769 -5.36139 243.021 -5.3607 -477.716 GPRESSURE: 971200 -226.308 103.409 219.214 70.3885 -426.363 -71.7964 188.429 88.7642 -446.757 PRESSAVG: 971200 -16.99 -13.5745 51.2569 -13.5744 -3.40825 38.0104 51.257 38.0104 9.39029 GPRESSAVG: 971200 -16.049 -11.2453 52.4658 -16.5613 -4.1231 38.933 48.2294 37.5685 8.92412 TIMING: 971200 CPU: 3072.12, 0.00319162/step Wall: 3072.12, 0.00319162/step, 3.57178 hours remaining, 237.722656 MB of memory in use. ENERGY: 971200 3986.9767 20595.1977 14476.4414 264.8706 -203561.8402 2516.1418 0.0000 0.0000 52205.1753 -109517.0368 300.0239 -161722.2120 -109155.0345 299.4802 -395.3380 -366.4760 761670.0490 -3.6693 -3.7493 PRESSURE: 971400 -91.7553 11.4516 -166.861 11.4517 -276.971 -146.043 -166.861 -146.042 -72.7275 GPRESSURE: 971400 -35.4634 -2.27398 -122.591 56.9651 -326.923 -86.3668 -128.195 -146.198 -15.4944 PRESSAVG: 971400 15.0331 -9.21435 32.2356 -9.21434 -22.2845 1.41358 32.2357 1.41357 -2.68971 GPRESSAVG: 971400 14.2925 -9.71675 31.9661 -6.92961 -22.1356 1.12246 33.2158 0.857044 -2.20469 TIMING: 971400 CPU: 3072.75, 0.00318879/step Wall: 3072.75, 0.00318879/step, 3.56843 hours remaining, 237.722656 MB of memory in use. ENERGY: 971400 3944.8203 20486.6986 14569.4395 251.5753 -203179.6470 2401.4403 0.0000 0.0000 52026.1912 -109499.4817 298.9952 -161525.6729 -109137.7905 299.1956 -147.1514 -125.9602 761599.6997 -3.3137 -3.3493 PRESSURE: 971600 222.068 110.016 184.014 110.017 -813.994 95.8351 184.014 95.8357 468.641 GPRESSURE: 971600 161.178 58.4965 220.968 51.4282 -652.849 59.5634 183.608 -65.4449 470.352 PRESSAVG: 971600 62.9051 19.3531 -20.3661 19.353 -58.6836 93.4794 -20.3661 93.4794 31.5484 GPRESSAVG: 971600 61.963 16.8149 -18.9714 19.0161 -57.4948 94.1868 -19.3597 93.3663 30.8461 TIMING: 971600 CPU: 3073.39, 0.0032034/step Wall: 3073.39, 0.0032034/step, 3.58461 hours remaining, 237.722656 MB of memory in use. ENERGY: 971600 4033.3124 20474.1893 14467.2621 242.7805 -202806.2104 2389.2674 0.0000 0.0000 51892.3419 -109307.0568 298.2260 -161199.3987 -108956.2461 299.3899 -41.0948 -7.1063 763028.6988 11.9233 11.7715 PRESSURE: 971800 -23.7892 -54.808 80.3842 -54.808 -169.528 22.5917 80.3848 22.5921 -428.365 GPRESSURE: 971800 36.485 -110.107 64.6369 59.1085 -130.495 -4.15773 -35.3256 66.5003 -448.188 PRESSAVG: 971800 -31.7544 41.5341 60.0485 41.5341 9.6554 8.54604 60.0484 8.54607 -3.62311 GPRESSAVG: 971800 -30.3498 43.7916 58.165 40.0529 7.9437 7.58063 59.5646 6.89891 -3.24627 TIMING: 971800 CPU: 3074.04, 0.0032338/step Wall: 3074.04, 0.0032338/step, 3.61844 hours remaining, 237.722656 MB of memory in use. ENERGY: 971800 3948.7871 20451.5789 14533.3279 247.0139 -203322.5276 2689.0753 0.0000 0.0000 51932.8057 -109519.9388 298.4585 -161452.7445 -109155.8707 299.2314 -207.2274 -180.7325 762121.4733 -8.5740 -8.5508 PRESSURE: 972000 -429.038 -228.632 -16.0778 -228.633 -65.7103 51.3435 -16.0767 51.3437 295.217 GPRESSURE: 972000 -286.225 -128.034 28.378 -142.652 -17.153 96.7142 -29.7576 36.2265 178.311 PRESSAVG: 972000 23.8437 17.0074 60.316 17.0074 -10.705 27.5355 60.316 27.5355 -4.64923 GPRESSAVG: 972000 22.6605 16.4625 61.5522 16.8457 -9.30781 25.5041 59.6907 28.3134 -5.00293 TIMING: 972000 CPU: 3074.68, 0.00321765/step Wall: 3074.68, 0.00321765/step, 3.60019 hours remaining, 237.722656 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: 972000 4084.3573 20460.2287 14388.3361 259.1060 -203550.4261 2877.9507 0.0000 0.0000 52125.1935 -109355.2538 299.5642 -161480.4473 -109000.3900 298.6087 -66.5104 -41.6891 762844.2322 2.8298 2.7832 PRESSURE: 972200 -2.85327 130.277 222.341 130.278 86.2065 -48.6568 222.341 -48.6576 166.167 GPRESSURE: 972200 97.0349 105.101 176.32 127.372 79.7931 -83.4588 104.406 -128.973 144.401 PRESSAVG: 972200 39.718 27.6261 41.4665 27.6261 -55.473 -10.4931 41.4664 -10.4931 -2.0351 GPRESSAVG: 972200 40.5548 29.3066 41.3945 27.5093 -57.0119 -8.01482 41.4312 -10.675 -1.49083 TIMING: 972200 CPU: 3075.32, 0.00320079/step Wall: 3075.32, 0.00320079/step, 3.58116 hours remaining, 237.722656 MB of memory in use. ENERGY: 972200 3897.1729 20379.8167 14443.5878 243.0110 -203432.3005 2845.0819 0.0000 0.0000 52185.7319 -109437.8985 299.9121 -161623.6303 -109071.9111 299.2099 83.1734 107.0762 763330.3943 -5.9300 -5.9826 LDB: ============= START OF LOAD BALANCING ============== 3087.78 LDB: ============== END OF LOAD BALANCING =============== 3087.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3087.78 LDB: ============= START OF LOAD BALANCING ============== 3088.09 LDB: Largest compute 7069 load 0.033671 is 17.3% of average load 0.195120 LDB: Average compute 0.004389 is 2.2% of average load 0.195120 LDB: TIME 3088.1 LOAD: AVG 0.19512 MAX 0.21762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.574 MB LDB: TIME 3088.1 LOAD: AVG 0.19512 MAX 0.21762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: TIME 3088.1 LOAD: AVG 0.19512 MAX 0.21762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.645 MB LDB: ============== END OF LOAD BALANCING =============== 3088.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3088.11 PRESSURE: 972400 -179.307 111.457 -117.142 111.456 -193.767 229.712 -117.142 229.713 213.598 GPRESSURE: 972400 -127.957 10.951 -179.697 168.643 -117.183 216.757 -24.8731 167.397 174.287 PRESSAVG: 972400 2.68557 61.0821 57.8685 61.0822 19.0256 -62.6556 57.8684 -62.6556 20.2145 GPRESSAVG: 972400 1.74019 59.7044 56.5716 60.4837 20.5967 -65.2444 60.3135 -59.5091 19.8922 TIMING: 972400 CPU: 3075.97, 0.00322359/step Wall: 3075.97, 0.00322359/step, 3.60648 hours remaining, 237.816406 MB of memory in use. ENERGY: 972400 3928.4940 20353.6650 14554.7465 244.0926 -202928.1157 2282.1910 0.0000 0.0000 52130.7497 -109434.1769 299.5961 -161564.9266 -109059.7302 299.1314 -53.1588 -23.6176 762925.4169 13.9752 14.0763 PRESSURE: 972600 -117.43 -102.354 131.884 -102.354 -84.2019 28.563 131.884 28.5626 223.577 GPRESSURE: 972600 -145.905 43.0529 72.3192 -58.6302 8.12005 110.685 194.105 25.952 250.926 PRESSAVG: 972600 -12.0349 -17.1966 11.2282 -17.1966 8.25096 -22.0349 11.2282 -22.0349 15.9225 GPRESSAVG: 972600 -11.9123 -15.082 12.9568 -17.503 8.04943 -19.9887 11.1323 -24.9982 16.4554 TIMING: 972600 CPU: 3076.6, 0.0031623/step Wall: 3076.6, 0.0031623/step, 3.53773 hours remaining, 238.027344 MB of memory in use. ENERGY: 972600 3951.4053 20463.8881 14483.5108 241.7513 -202997.4391 2646.0461 0.0000 0.0000 51935.2668 -109275.5708 298.4727 -161210.8376 -108916.7966 299.0120 7.3153 37.7136 762516.0493 4.0462 4.1975 PRESSURE: 972800 -59.3593 -87.243 -77.7 -87.2426 -10.8745 -156.342 -77.7001 -156.342 276.01 GPRESSURE: 972800 -3.67825 -24.1113 -29.4707 -27.1779 4.93209 -113.407 15.1686 -167.242 300.907 PRESSAVG: 972800 0.723733 -24.1655 -36.3988 -24.1655 -43.2326 -30.729 -36.3988 -30.7291 -2.85038 GPRESSAVG: 972800 1.20848 -26.8772 -37.4122 -22.8448 -45.1232 -32.9436 -37.2265 -29.5425 -1.97717 TIMING: 972800 CPU: 3077.24, 0.00320384/step Wall: 3077.24, 0.00320384/step, 3.58403 hours remaining, 238.230469 MB of memory in use. ENERGY: 972800 3929.7638 20326.7573 14513.4833 247.2741 -203050.7267 2616.1063 0.0000 0.0000 52055.2267 -109362.1151 299.1621 -161417.3418 -108993.9899 299.0454 68.5920 100.7203 762498.6161 -15.1197 -15.2973 PRESSURE: 973000 -156.363 -42.7563 83.1432 -42.7561 -17.1885 -121.29 83.1433 -121.29 295.798 GPRESSURE: 973000 -114.973 -91.5572 137.487 44.633 52.2093 -87.3446 4.87829 -112.345 257.865 PRESSAVG: 973000 -0.637539 33.4177 -41.1626 33.4177 40.9254 13.3881 -41.1627 13.3881 -9.25475 GPRESSAVG: 973000 -1.30174 35.7152 -40.8538 32.5762 41.2359 14.0134 -42.2314 15.4225 -9.10999 TIMING: 973000 CPU: 3077.88, 0.00316236/step Wall: 3077.88, 0.00316236/step, 3.53745 hours remaining, 238.230469 MB of memory in use. ENERGY: 973000 3949.2867 20520.7602 14544.8750 243.9463 -203130.0551 2574.2698 0.0000 0.0000 51963.9223 -109332.9946 298.6374 -161296.9170 -108970.6377 299.4966 40.7490 65.0338 761157.1966 10.3444 10.2747 PRESSURE: 973200 -120.883 -101.291 -65.1378 -101.29 -100.842 -42.2904 -65.1374 -42.2912 -42.9326 GPRESSURE: 973200 -130.63 -105.379 17.3003 -59.224 -98.6293 -33.0542 -46.2272 -2.17526 49.1991 PRESSAVG: 973200 -10.4184 20.9052 -11.6116 20.9052 36.9377 -37.5346 -11.6116 -37.5347 -3.11223 GPRESSAVG: 973200 -11.0609 16.9123 -12.0668 21.6573 38.6903 -37.4008 -9.34243 -39.5699 -4.15517 TIMING: 973200 CPU: 3078.51, 0.00316655/step Wall: 3078.51, 0.00316655/step, 3.54196 hours remaining, 238.230469 MB of memory in use. ENERGY: 973200 3963.5301 20533.4228 14424.3307 256.5364 -202952.9564 2214.2059 0.0000 0.0000 52321.8035 -109239.1271 300.6941 -161560.9306 -108881.6516 299.3188 -88.2195 -60.0202 759974.3660 7.8023 7.8247 PRESSURE: 973400 515.822 20.1032 404.175 20.1024 -514.373 87.1088 404.174 87.1096 370.754 GPRESSURE: 973400 468.817 -42.7531 386.718 -79.8587 -367.58 41.7934 308.872 64.9224 351.014 PRESSAVG: 973400 -12.0599 -3.44013 5.7533 -3.44018 -5.25295 2.52332 5.75326 2.52329 13.8985 GPRESSAVG: 973400 -11.428 -0.225025 7.05724 -5.72424 -5.80518 3.23755 3.81021 2.78877 13.7415 TIMING: 973400 CPU: 3079.15, 0.0031915/step Wall: 3079.15, 0.0031915/step, 3.5697 hours remaining, 238.230469 MB of memory in use. ENERGY: 973400 3996.6934 20395.8315 14510.2387 269.3071 -203304.7126 2726.0259 0.0000 0.0000 52032.1979 -109374.4181 299.0298 -161406.6160 -109022.7074 299.1364 124.0680 150.7500 761351.5131 -1.1381 -1.1639 PRESSURE: 973600 228.568 47.3897 67.0609 47.3888 -35.7763 -129.653 67.0598 -129.653 479.272 GPRESSURE: 973600 307.16 40.6356 164.133 40.3328 -39.8569 -67.2901 -107.088 36.4328 464.132 PRESSAVG: 973600 24.2275 14.5623 -26.5585 14.5623 -24.0567 17.1857 -26.5585 17.1857 3.69404 GPRESSAVG: 973600 23.2265 14.1727 -28.9504 14.6045 -24.2255 17.8458 -26.1669 18.1474 4.79564 TIMING: 973600 CPU: 3079.79, 0.0032221/step Wall: 3079.79, 0.0032221/step, 3.60374 hours remaining, 238.230469 MB of memory in use. ENERGY: 973600 3990.0490 20567.0550 14436.6041 229.1036 -203141.0885 2704.8348 0.0000 0.0000 52094.2848 -109119.1573 299.3866 -161213.4420 -108763.9959 299.4053 224.0212 243.8115 761200.7511 1.2883 1.2655 PRESSURE: 973800 -29.1907 -12.8097 -59.9011 -12.81 326.222 135.89 -59.9013 135.89 347.451 GPRESSURE: 973800 -82.7911 -61.0257 -45.5222 38.1396 444.537 199.714 -86.4318 23.9004 365.816 PRESSAVG: 973800 13.3179 14.0786 -72.4894 14.0787 -3.93574 -30.1465 -72.4895 -30.1464 22.6585 GPRESSAVG: 973800 14.0419 12.2156 -69.8151 16.6981 -3.93879 -31.1019 -72.356 -32.6075 22.0714 TIMING: 973800 CPU: 3080.43, 0.00321716/step Wall: 3080.43, 0.00321716/step, 3.59803 hours remaining, 238.230469 MB of memory in use. ENERGY: 973800 3979.8553 20343.6268 14440.8101 239.2657 -202887.9889 2392.3516 0.0000 0.0000 52295.3360 -109196.7434 300.5420 -161492.0794 -108835.5480 300.0546 214.8275 242.5204 762173.1017 10.6802 10.7248 PRESSURE: 974000 -21.7454 -119.053 7.22239 -119.053 -170.857 -118.656 7.22215 -118.655 -265.829 GPRESSURE: 974000 66.9332 -149.927 61.4229 -226.551 -186.444 -184.961 -8.82484 21.7237 -267.836 PRESSAVG: 974000 -0.540301 -28.9602 -49.1298 -28.9602 16.5076 -37.3063 -49.1298 -37.3064 -32.9672 GPRESSAVG: 974000 -1.07653 -27.3635 -50.9663 -28.9435 15.0595 -38.6907 -47.7642 -34.4408 -30.6983 TIMING: 974000 CPU: 3081.07, 0.00320005/step Wall: 3081.07, 0.00320005/step, 3.57873 hours remaining, 238.230469 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: 974000 4019.9744 20423.2933 14467.7290 247.1182 -203164.9645 2821.5649 0.0000 0.0000 52081.9722 -109103.3125 299.3158 -161185.2847 -108745.7868 299.7651 -152.8104 -129.1155 764155.0752 -5.6666 -5.5718 PRESSURE: 974200 -11.1001 -66.6744 30.8267 -66.675 -117.727 179.495 30.8264 179.493 212.852 GPRESSURE: 974200 -137.652 -81.8717 24.7114 -215.388 56.3186 184.902 -67.229 259.448 261.292 PRESSAVG: 974200 19.0421 13.8957 -25.2252 13.8957 24.6017 -3.41557 -25.2252 -3.41556 11.5531 GPRESSAVG: 974200 18.8526 13.569 -25.8827 11.7394 27.3617 -3.59976 -24.3814 -4.11633 9.38486 TIMING: 974200 CPU: 3081.71, 0.00316378/step Wall: 3081.71, 0.00316378/step, 3.53799 hours remaining, 238.230469 MB of memory in use. ENERGY: 974200 4016.7669 20308.3263 14526.3079 240.7308 -203002.7907 2503.3438 0.0000 0.0000 52309.4425 -109097.8725 300.6231 -161407.3150 -108735.1665 299.5584 28.0084 59.9861 761025.2243 18.3990 18.5330 PRESSURE: 974400 316.873 215.801 -186.297 215.801 -237.844 -118.046 -186.297 -118.046 391.817 GPRESSURE: 974400 290.895 247.026 -250.864 207.962 -108.493 -151.71 -120.851 -152.449 361.897 PRESSAVG: 974400 72.371 25.1473 13.5506 25.1473 -49.6763 -29.8256 13.5506 -29.8256 2.45994 GPRESSAVG: 974400 72.8973 24.2782 15.1396 26.5272 -50.8349 -29.6465 12.3096 -31.5531 2.65568 TIMING: 974400 CPU: 3082.34, 0.00316662/step Wall: 3082.34, 0.00316662/step, 3.54098 hours remaining, 238.230469 MB of memory in use. ENERGY: 974400 3933.7670 20476.4269 14468.3563 256.7194 -203013.1755 2435.0076 0.0000 0.0000 52256.4093 -109186.4891 300.3183 -161442.8984 -108829.1257 299.3522 156.9490 181.4327 762065.9580 8.3849 8.2394 PRESSURE: 974600 126.083 -335.202 -101.02 -335.202 -153.077 -235.548 -101.019 -235.55 241.594 GPRESSURE: 974600 169.947 -250.537 -266.4 -184.438 -77.1607 -224.162 -82.339 -207.301 195.547 PRESSAVG: 974600 16.8234 -23.4474 -57.8756 -23.4475 -41.8939 -85.22 -57.8757 -85.22 2.43965 GPRESSAVG: 974600 17.8206 -22.2223 -58.5606 -23.1254 -42.6728 -82.4193 -59.1745 -86.9987 1.90284 TIMING: 974600 CPU: 3082.98, 0.00320229/step Wall: 3082.98, 0.00320229/step, 3.58069 hours remaining, 238.230469 MB of memory in use. ENERGY: 974600 3971.6230 20394.5083 14474.8257 236.2771 -203032.6357 2487.0909 0.0000 0.0000 52135.7501 -109332.5607 299.6249 -161468.3108 -108969.9160 298.8847 71.5333 96.1110 762274.1140 -7.5436 -7.6498 PRESSURE: 974800 41.7892 37.4726 39.4869 37.4733 59.8049 93.954 39.4867 93.9541 -179.463 GPRESSURE: 974800 -50.5955 99.6793 81.9639 187.788 233.317 97.9517 97.2436 181.94 -185.936 PRESSAVG: 974800 21.8648 56.9223 -47.1877 56.9223 20.1488 14.2359 -47.1878 14.2359 0.515731 GPRESSAVG: 974800 21.4873 58.0538 -45.3194 55.8859 20.4762 14.191 -46.5564 14.9247 0.753056 TIMING: 974800 CPU: 3083.62, 0.00321414/step Wall: 3083.62, 0.00321414/step, 3.59376 hours remaining, 238.230469 MB of memory in use. ENERGY: 974800 3934.1785 20517.9116 14543.4339 264.2131 -203081.0979 2225.9261 0.0000 0.0000 52406.3417 -109189.0929 301.1800 -161595.4346 -108815.3220 299.4782 -25.9564 -1.0713 761730.4976 14.1764 14.2389 PRESSURE: 975000 -106.998 -111.862 184.203 -111.861 59.3264 -263.678 184.203 -263.677 342.628 GPRESSURE: 975000 33.4418 -110.312 198.686 -183.782 118.896 -244.575 277.358 -262.59 229.185 PRESSAVG: 975000 5.32375 -4.6082 -6.94273 -4.60819 7.98698 -15.6642 -6.94266 -15.6642 19.1693 GPRESSAVG: 975000 5.69254 -6.22324 -7.35583 -3.80932 7.41018 -15.8402 -7.52329 -14.9448 19.3764 TIMING: 975000 CPU: 3084.26, 0.00319643/step Wall: 3084.26, 0.00319643/step, 3.57378 hours remaining, 238.230469 MB of memory in use. ENERGY: 975000 3952.8695 20553.7161 14487.0839 248.0865 -203214.2812 2633.2405 0.0000 0.0000 52265.1451 -109074.1395 300.3685 -161339.2846 -108710.1734 299.7664 98.3188 127.1742 763367.9744 10.8267 10.8264 PRESSURE: 975200 50.8425 -258.745 116.844 -258.745 407.265 89.2968 116.843 89.2963 365.874 GPRESSURE: 975200 131.223 -298.755 156.642 -339.612 406.587 87.5362 193.73 87.1212 371.123 PRESSAVG: 975200 -6.14402 -11.324 13.2839 -11.324 -6.51821 -0.564303 13.2838 -0.564429 12.8446 GPRESSAVG: 975200 -6.51117 -11.4617 12.9761 -12.3552 -6.01451 -1.39474 11.289 -0.291991 12.4217 TIMING: 975200 CPU: 3084.91, 0.00321011/step Wall: 3084.91, 0.00321011/step, 3.5889 hours remaining, 238.230469 MB of memory in use. ENERGY: 975200 4016.5642 20566.8422 14576.0730 250.6194 -203242.4437 2638.3117 0.0000 0.0000 52101.5761 -109092.4571 299.4285 -161194.0332 -108737.8704 299.8988 274.6606 302.9777 761060.9067 0.0608 -0.0347 PRESSURE: 975400 -5.72764 -36.6502 -130.686 -36.6506 -68.1686 -191.36 -130.685 -191.358 -223.605 GPRESSURE: 975400 35.3305 -44.6082 -127.304 39.6672 -57.869 -177.354 -3.95291 -93.2583 -197.765 PRESSAVG: 975400 -21.6544 -20.2165 -13.8095 -20.2165 -39.0289 -25.0021 -13.8095 -25.0022 5.44921 GPRESSAVG: 975400 -21.1802 -18.5338 -14.8076 -20.2065 -40.5267 -26.1967 -12.5216 -24.9347 6.19417 TIMING: 975400 CPU: 3085.54, 0.00318022/step Wall: 3085.54, 0.00318022/step, 3.5553 hours remaining, 238.230469 MB of memory in use. ENERGY: 975400 3984.3138 20534.0428 14475.8788 243.6572 -202770.7379 2441.5540 0.0000 0.0000 52062.5693 -109028.7221 299.2043 -161091.2914 -108667.0127 300.1029 -99.1672 -73.4344 762801.6112 -18.4114 -18.5042 PRESSURE: 975600 -275.608 -7.7464 -78.1592 -7.74568 164.762 286.917 -78.1592 286.918 309.294 GPRESSURE: 975600 -137.507 73.1747 -84.1225 -48.9535 185.815 285.835 -148.472 300.354 257.35 PRESSAVG: 975600 -57.5218 -16.6356 -45.6224 -16.6355 94.9592 -14.8453 -45.6225 -14.8455 9.27572 GPRESSAVG: 975600 -57.8638 -16.2896 -45.298 -17.0145 95.1877 -14.5867 -45.2264 -12.7814 9.41039 TIMING: 975600 CPU: 3086.18, 0.00318717/step Wall: 3086.18, 0.00318717/step, 3.56291 hours remaining, 238.230469 MB of memory in use. ENERGY: 975600 4100.7613 20613.5905 14564.6175 234.5360 -203181.9644 2652.1655 0.0000 0.0000 52017.1408 -108999.1528 298.9432 -161016.2936 -108647.0706 299.3777 66.1494 101.8858 761432.2407 15.5710 15.5781 PRESSURE: 975800 -113.006 -164.92 107.897 -164.92 26.5288 -160.082 107.897 -160.083 -193.886 GPRESSURE: 975800 -92.1585 -246.6 82.2403 -28.1067 106.636 -90.7465 93.812 -138.402 -195.655 PRESSAVG: 975800 -21.2092 -27.2752 3.18577 -27.2752 34.8186 25.6656 3.18575 25.6657 2.0921 GPRESSAVG: 975800 -22.045 -28.8402 3.36031 -27.8024 36.2119 27.3837 3.29387 23.8997 1.38416 TIMING: 975800 CPU: 3086.82, 0.0031903/step Wall: 3086.82, 0.0031903/step, 3.56623 hours remaining, 238.230469 MB of memory in use. ENERGY: 975800 3990.4961 20553.3727 14455.9246 242.6807 -203207.5296 2607.5496 0.0000 0.0000 52197.4410 -109160.0648 299.9794 -161357.5058 -108799.7774 300.0804 -93.4544 -60.3926 761036.6540 5.2338 5.1837 PRESSURE: 976000 -94.8505 -116.677 -87.9618 -116.677 212.826 -49.4226 -87.9621 -49.4224 257.22 GPRESSURE: 976000 -126.646 20.4798 -130.644 -63.1058 268.586 -46.9533 -11.68 -82.8529 299.62 PRESSAVG: 976000 25.1024 -2.11222 -9.497 -2.1122 15.1493 14.9387 -9.49691 14.9387 9.42056 GPRESSAVG: 976000 25.3252 -2.13981 -11.5232 1.38828 15.3572 12.4674 -9.22373 14.4717 8.95961 TIMING: 976000 CPU: 3087.45, 0.00319148/step Wall: 3087.45, 0.00319147/step, 3.56736 hours remaining, 238.230469 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: 976000 3970.4054 20477.4534 14470.7870 257.5375 -202841.8720 2281.4925 0.0000 0.0000 52332.8993 -109051.2969 300.7579 -161384.1961 -108694.9050 300.2886 125.0650 147.1863 760362.9720 16.5574 16.5473 PRESSURE: 976200 35.5607 -1.46249 224.45 -1.46176 -80.6281 -28.117 224.451 -28.1159 138.998 GPRESSURE: 976200 111.561 11.1458 238.608 83.9076 -119.698 -102.994 165.016 -63.3955 184.519 PRESSAVG: 976200 -30.464 10.1123 -0.969134 10.1124 54.9352 5.91077 -0.969121 5.91071 4.4136 GPRESSAVG: 976200 -29.9831 10.9242 1.37973 8.93426 53.5876 7.22272 -0.367275 7.49932 4.83782 TIMING: 976200 CPU: 3088.09, 0.00319185/step Wall: 3088.09, 0.00319185/step, 3.5676 hours remaining, 238.230469 MB of memory in use. ENERGY: 976200 4024.9324 20502.8967 14571.3997 230.1022 -203237.6481 2323.5613 0.0000 0.0000 52363.9145 -109220.8413 300.9361 -161584.7558 -108856.2963 299.9082 31.3102 58.7940 760279.2536 9.6283 9.4808 LDB: ============= START OF LOAD BALANCING ============== 3100.56 LDB: ============== END OF LOAD BALANCING =============== 3100.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3100.56 LDB: ============= START OF LOAD BALANCING ============== 3100.88 LDB: Largest compute 7038 load 0.038244 is 19.6% of average load 0.195140 LDB: Average compute 0.004414 is 2.3% of average load 0.195140 LDB: TIME 3100.88 LOAD: AVG 0.19514 MAX 0.214187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 3100.88 LOAD: AVG 0.19514 MAX 0.214187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: TIME 3100.88 LOAD: AVG 0.19514 MAX 0.214187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: ============== END OF LOAD BALANCING =============== 3100.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3100.89 PRESSURE: 976400 79.0025 -108.057 -105.995 -108.057 105.94 -126.897 -105.996 -126.897 83.1946 GPRESSURE: 976400 195.529 -67.9283 -100.875 4.34985 64.8335 -118.483 -48.0564 -211.636 70.5863 PRESSAVG: 976400 24.0839 16.76 -39.986 16.7598 12.4466 -43.0325 -39.9861 -43.0325 -23.7184 GPRESSAVG: 976400 22.9048 16.1068 -40.7054 15.3158 13.677 -43.8284 -39.2724 -44.6805 -23.7678 TIMING: 976400 CPU: 3088.75, 0.00329922/step Wall: 3088.75, 0.00329922/step, 3.68743 hours remaining, 237.246094 MB of memory in use. ENERGY: 976400 3980.7377 20417.2847 14605.2635 235.2804 -203496.8163 2703.7599 0.0000 0.0000 52353.1604 -109201.3296 300.8743 -161554.4900 -108835.8822 299.8860 89.3789 110.3163 759707.9297 4.2707 4.2713 PRESSURE: 976600 -324.556 207.829 22.2505 207.829 -348.121 122.519 22.2508 122.519 46.0978 GPRESSURE: 976600 -300.424 225.43 1.88506 182.084 -259.304 177.909 -4.57298 139.698 46.8561 PRESSAVG: 976600 -15.511 -10.7233 -44.8574 -10.7232 -30.22 14.1456 -44.8574 14.1456 -22.5436 GPRESSAVG: 976600 -14.0182 -10.7739 -44.9254 -12.1472 -30.2204 15.2528 -46.8237 14.6399 -24.009 TIMING: 976600 CPU: 3089.39, 0.00319515/step Wall: 3089.39, 0.00319515/step, 3.57094 hours remaining, 237.449219 MB of memory in use. ENERGY: 976600 3989.3764 20449.9835 14457.2476 272.0415 -202909.5546 2268.1378 0.0000 0.0000 52242.2885 -109230.4793 300.2371 -161472.7678 -108865.7101 299.8009 -208.8595 -170.9573 761547.2049 -22.7582 -22.7492 PRESSURE: 976800 -311.196 38.4603 5.44954 38.4595 37.1722 40.2238 5.4486 40.2239 -44.7706 GPRESSURE: 976800 -229.006 67.2504 51.1752 0.0309206 56.7824 -8.92233 -24.1752 55.3635 -79.3176 PRESSAVG: 976800 50.0642 -4.167 60.3643 -4.16696 -37.3007 19.4296 60.3643 19.4297 37.3983 GPRESSAVG: 976800 48.5876 -3.9268 58.8532 0.147971 -37.2939 18.5315 62.4079 18.8228 38.7957 TIMING: 976800 CPU: 3090.03, 0.00317424/step Wall: 3090.03, 0.00317424/step, 3.54739 hours remaining, 237.515625 MB of memory in use. ENERGY: 976800 4030.6998 20330.2357 14409.7743 253.9322 -203096.5128 2464.5339 0.0000 0.0000 52152.9569 -109454.3800 299.7238 -161607.3368 -109089.1705 299.6457 -106.2648 -83.8471 762478.0647 16.7206 16.6965 PRESSURE: 977000 259.291 78.2947 -124.109 78.294 109.204 -133.958 -124.109 -133.958 19.6164 GPRESSURE: 977000 313.042 96.2874 -133.691 27.9234 120.958 -127.673 -144.473 -136.056 24.3452 PRESSAVG: 977000 5.19499 -1.87887 14.6356 -1.87887 17.7218 -18.1414 14.6356 -18.1414 8.62791 GPRESSAVG: 977000 6.55714 -1.83312 15.8974 -3.97907 16.9372 -20.0668 12.3273 -17.0002 8.33535 TIMING: 977000 CPU: 3090.67, 0.00319202/step Wall: 3090.67, 0.00319202/step, 3.56709 hours remaining, 237.515625 MB of memory in use. ENERGY: 977000 4020.5392 20403.9853 14420.6173 235.8607 -202988.5986 2533.3774 0.0000 0.0000 52110.7186 -109263.5000 299.4810 -161374.2187 -108899.2955 299.3927 129.3705 152.7817 761116.0395 10.5149 10.6099 PRESSURE: 977200 -235.106 -16.7125 -145.982 -16.7121 -244.962 -136.448 -145.982 -136.448 -314.873 GPRESSURE: 977200 -180.831 46.9748 -230.274 -30.4222 -236.163 -151.508 -51.9986 -146.058 -276.334 PRESSAVG: 977200 -37.0517 -7.2918 -40.0452 -7.29185 21.44 -25.0994 -40.0452 -25.0994 5.20359 GPRESSAVG: 977200 -36.5654 -8.04146 -40.8586 -7.11404 21.7448 -23.2188 -36.4959 -23.0682 4.66432 TIMING: 977200 CPU: 3091.3, 0.00319594/step Wall: 3091.3, 0.00319594/step, 3.57129 hours remaining, 237.515625 MB of memory in use. ENERGY: 977200 4029.4300 20341.8552 14490.8912 245.4471 -202741.4504 2433.6826 0.0000 0.0000 52017.1611 -109182.9832 298.9433 -161200.1443 -108821.0136 299.8353 -264.9805 -231.1096 763713.4234 -3.4694 -3.3854 PRESSURE: 977400 14.0782 5.53957 91.0844 5.53914 -182.017 -30.6425 91.0841 -30.6435 -16.9943 GPRESSURE: 977400 -36.267 -22.2619 111.384 -110.152 -65.4664 -52.6277 30.068 16.4992 -12.8065 PRESSAVG: 977400 7.34737 37.7275 5.53494 37.7275 -15.3296 -28.5073 5.53494 -28.5073 12.6391 GPRESSAVG: 977400 6.00566 38.9183 6.31445 37.2208 -14.6913 -28.5555 2.87166 -32.3785 12.7987 TIMING: 977400 CPU: 3091.95, 0.00320893/step Wall: 3091.95, 0.00320893/step, 3.58563 hours remaining, 237.515625 MB of memory in use. ENERGY: 977400 3989.0599 20424.0824 14470.0479 244.5161 -203032.2746 2247.2151 0.0000 0.0000 52391.5193 -109265.8340 301.0948 -161657.3532 -108910.3215 299.5465 -61.6444 -38.1800 760623.2024 1.5523 1.3710 PRESSURE: 977600 95.5779 62.1041 40.8129 62.1039 -42.8233 -67.9442 40.8128 -67.9443 122.22 GPRESSURE: 977600 197.674 -51.2654 -75.569 149.88 -66.3598 -76.0168 74.4996 -37.6269 109.086 PRESSAVG: 977600 37.5615 22.135 -64.8024 22.1349 -2.36453 -34.4226 -64.8024 -34.4226 -10.9028 GPRESSAVG: 977600 38.0215 21.4286 -65.0558 22.2051 -2.72518 -33.1856 -62.8935 -33.9262 -10.5717 TIMING: 977600 CPU: 3092.58, 0.00319063/step Wall: 3092.58, 0.00319063/step, 3.56499 hours remaining, 237.515625 MB of memory in use. ENERGY: 977600 3959.3005 20372.5445 14487.8454 240.0407 -202911.3980 2520.6192 0.0000 0.0000 52138.2941 -109192.7535 299.6395 -161331.0476 -108828.9700 299.8132 58.3249 80.1333 760917.1962 8.0980 8.2415 PRESSURE: 977800 223.663 41.3347 -37.2791 41.3347 330.93 -100.318 -37.2787 -100.318 226.841 GPRESSURE: 977800 176.646 -77.1737 -133.416 103.647 378.415 -97.4646 -66.1994 -61.5169 313.259 PRESSAVG: 977800 -49.9531 31.6595 -40.8293 31.6595 -18.1714 -4.38891 -40.8293 -4.3889 5.62761 GPRESSAVG: 977800 -50.2173 31.8711 -39.8226 30.4618 -17.0403 -5.40709 -42.4229 -3.6776 5.23172 TIMING: 977800 CPU: 3093.22, 0.00318496/step Wall: 3093.22, 0.00318495/step, 3.55848 hours remaining, 237.515625 MB of memory in use. ENERGY: 977800 3987.8850 20542.4343 14516.0448 258.5684 -203414.0486 2879.8010 0.0000 0.0000 52140.7201 -109088.5949 299.6534 -161229.3151 -108716.9882 299.3407 260.4781 289.4398 760995.5421 -20.8323 -20.6753 PRESSURE: 978000 -24.1144 209.183 136.429 209.182 10.7591 61.6006 136.429 61.6004 -224.31 GPRESSURE: 978000 28.7843 318.17 147.076 222.166 6.25554 155.404 198.526 134.155 -195.279 PRESSAVG: 978000 33.829 35.5327 29.9963 35.5327 -16.7934 3.8679 29.9963 3.86792 7.06838 GPRESSAVG: 978000 32.777 36.0775 30.6369 37.2583 -16.4711 3.78687 30.3608 4.68595 7.86004 TIMING: 978000 CPU: 3093.86, 0.00317904/step Wall: 3093.86, 0.00317904/step, 3.5517 hours remaining, 237.515625 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: 978000 3955.6258 20446.7411 14436.2348 243.8350 -203052.3582 2588.2364 0.0000 0.0000 52245.0958 -109136.5893 300.2533 -161381.6851 -108771.7935 299.7071 -79.2218 -53.4132 762889.7395 8.0347 8.0553 PRESSURE: 978200 -173.805 -13.0642 100.679 -13.0637 394.936 338.146 100.68 338.146 173.547 GPRESSURE: 978200 -47.1248 -33.0673 84.1428 -64.8558 364.478 305.916 -63.0702 278.58 143.698 PRESSAVG: 978200 -3.54981 -6.21416 46.7535 -6.21415 3.38096 44.6431 46.7536 44.643 -0.107365 GPRESSAVG: 978200 -2.66807 -5.69866 45.3933 -6.29873 2.88641 44.7836 44.8844 45.5473 -0.510215 TIMING: 978200 CPU: 3094.49, 0.00318033/step Wall: 3094.49, 0.00318033/step, 3.55296 hours remaining, 237.515625 MB of memory in use. ENERGY: 978200 3908.7125 20617.4383 14462.5866 237.7247 -203248.6135 2691.9975 0.0000 0.0000 52249.0207 -109081.1333 300.2758 -161330.1540 -108727.7824 299.6878 131.5592 153.6837 760473.5477 -0.0921 -0.0973 PRESSURE: 978400 -631.193 -11.136 11.8769 -11.1355 -270.706 109.044 11.8778 109.044 -53.8922 GPRESSURE: 978400 -665.352 44.095 105.666 -22.5667 -227.633 58.557 -74.5988 54.726 29.4955 PRESSAVG: 978400 -28.5454 -16.6502 9.93693 -16.6502 25.7459 -3.50454 9.93691 -3.50444 3.66898 GPRESSAVG: 978400 -29.3335 -17.2209 10.9545 -17.0399 27.3306 -4.00503 11.4794 -4.72896 2.88143 TIMING: 978400 CPU: 3095.13, 0.00319736/step Wall: 3095.13, 0.00319736/step, 3.57181 hours remaining, 237.515625 MB of memory in use. ENERGY: 978400 4070.1068 20391.2026 14403.5603 245.7579 -202786.5900 2271.1484 0.0000 0.0000 51997.0340 -109407.7800 298.8277 -161404.8139 -109044.1958 299.1837 -318.5972 -287.8297 763950.7711 0.2898 0.2928 PRESSURE: 978600 -58.7891 69.3104 -175.139 69.3101 167.492 -34.1284 -175.139 -34.1288 -129.731 GPRESSURE: 978600 6.9613 68.5385 -168.657 51.0834 161.867 -63.1303 -55.4361 -72.6732 -106.863 PRESSAVG: 978600 0.745407 -0.94328 30.9993 -0.94323 -4.48154 -5.74357 30.9993 -5.74353 -13.4249 GPRESSAVG: 978600 -0.121254 0.419418 32.1896 0.673719 -6.53405 -5.7964 31.2338 -6.41892 -10.5646 TIMING: 978600 CPU: 3095.77, 0.00320584/step Wall: 3095.77, 0.00320584/step, 3.58111 hours remaining, 237.515625 MB of memory in use. ENERGY: 978600 4056.0353 20432.4556 14450.5109 237.6918 -203408.3651 2617.7805 0.0000 0.0000 52199.2477 -109414.6432 299.9898 -161613.8909 -109044.8963 298.9320 -7.0091 20.6552 762692.4350 -5.7204 -5.7400 PRESSURE: 978800 -478.092 191.124 111.516 191.124 240.013 -41.3448 111.516 -41.3464 -140.614 GPRESSURE: 978800 -390.496 62.485 138.72 229.011 210.998 14.9641 139.125 -20.0149 -128.255 PRESSAVG: 978800 -42.9526 -0.481426 5.21096 -0.481475 66.7522 -32.3027 5.21099 -32.3027 -3.29328 GPRESSAVG: 978800 -39.8937 -1.53844 3.67924 -2.89722 66.636 -33.1495 3.72284 -28.8907 -6.3263 TIMING: 978800 CPU: 3096.42, 0.00320654/step Wall: 3096.42, 0.00320654/step, 3.58171 hours remaining, 237.515625 MB of memory in use. ENERGY: 978800 3977.7587 20580.3034 14481.3146 241.0405 -202957.9007 2160.6254 0.0000 0.0000 51971.3790 -109545.4792 298.6802 -161516.8582 -109184.9447 299.5551 -126.2309 -102.5844 760486.5075 6.8354 6.8053 PRESSURE: 979000 141.707 67.9265 377.624 67.9262 -261.575 -0.444621 377.624 -0.443904 -123.783 GPRESSURE: 979000 28.1233 -5.40177 407.258 39.942 -113.286 37.5562 300.928 10.267 -69.4022 PRESSAVG: 979000 40.1383 -33.5648 43.1529 -33.5648 38.8505 -0.158795 43.1529 -0.158859 11.8514 GPRESSAVG: 979000 39.1389 -34.5223 43.6832 -32.7829 39.0262 1.25588 44.5265 -0.790596 13.0395 TIMING: 979000 CPU: 3097.06, 0.0032373/step Wall: 3097.06, 0.0032373/step, 3.61589 hours remaining, 237.515625 MB of memory in use. ENERGY: 979000 3992.4274 20647.3583 14496.4705 257.9810 -203424.2148 2490.7230 0.0000 0.0000 51848.5063 -109690.7481 297.9741 -161539.2544 -109337.8412 299.1765 -81.2170 -51.5217 759945.5445 30.2801 30.4015 PRESSURE: 979200 -60.0331 -119.568 101.379 -119.567 -96.8409 170.045 101.38 170.044 -279.788 GPRESSURE: 979200 -71.7428 -122.911 73.9572 7.81362 -57.711 205.578 70.2466 80.6213 -223.614 PRESSAVG: 979200 12.9155 7.9548 23.2577 7.95478 -22.3714 8.07359 23.2577 8.07358 -25.1253 GPRESSAVG: 979200 12.8553 7.33972 21.446 8.55554 -22.3938 6.35325 21.9346 8.20657 -25.5734 TIMING: 979200 CPU: 3097.71, 0.00322559/step Wall: 3097.71, 0.00322559/step, 3.60263 hours remaining, 237.515625 MB of memory in use. ENERGY: 979200 3976.8582 20588.4326 14421.6980 249.9994 -203279.0737 2418.4172 0.0000 0.0000 51846.5303 -109777.1379 297.9627 -161623.6682 -109419.3048 299.0557 -145.5540 -117.6894 762304.6729 -11.5271 -11.7040 PRESSURE: 979400 70.1697 46.1522 238.228 46.1525 -38.7783 -177.359 238.227 -177.358 -263.344 GPRESSURE: 979400 75.9836 39.9992 155.67 23.4492 -8.24615 -187.816 103.423 -119.755 -212.01 PRESSAVG: 979400 -30.3555 11.2725 49.0582 11.2725 22.2347 18.8941 49.0581 18.894 -25.2683 GPRESSAVG: 979400 -32.9975 13.3549 48.1827 9.64921 23.1237 20.1111 52.0357 18.2799 -24.3261 TIMING: 979400 CPU: 3098.35, 0.00321501/step Wall: 3098.35, 0.00321501/step, 3.59064 hours remaining, 237.515625 MB of memory in use. ENERGY: 979400 3923.3768 20681.0917 14520.3461 257.1828 -203480.4576 2558.0152 0.0000 0.0000 51912.1053 -109628.3396 298.3396 -161540.4449 -109262.3145 299.2218 -77.3174 -48.0909 761441.8727 -11.1297 -11.4000 PRESSURE: 979600 251.543 119.228 -106.969 119.228 214.478 -135.329 -106.968 -135.329 -323.56 GPRESSURE: 979600 273.972 48.8226 -134.337 -56.1275 137.955 -97.7083 -195.913 -189.59 -188.839 PRESSAVG: 979600 5.72187 7.56807 -28.078 7.56804 -24.3906 -71.9458 -28.0779 -71.9459 12.6792 GPRESSAVG: 979600 6.44018 5.06901 -25.631 6.77196 -24.3237 -72.569 -32.765 -73.6022 12.2307 TIMING: 979600 CPU: 3099, 0.00323606/step Wall: 3099, 0.00323606/step, 3.61396 hours remaining, 237.515625 MB of memory in use. ENERGY: 979600 3947.2930 20560.4203 14458.4826 239.0053 -203578.1524 2594.7801 0.0000 0.0000 52111.2607 -109666.9104 299.4841 -161778.1711 -109302.1283 298.9898 47.4870 74.3627 761704.2153 -1.9965 -1.8843 PRESSURE: 979800 -88.3179 -92.4329 203.226 -92.4323 283.031 129.081 203.225 129.08 283.737 GPRESSURE: 979800 4.90495 -19.3343 144.446 -133.916 274.186 22.7697 231.812 132.336 255.94 PRESSAVG: 979800 25.4148 -0.752291 -53.8211 -0.752247 -14.9355 -86.5479 -53.8211 -86.5479 2.66129 GPRESSAVG: 979800 25.9527 -2.05885 -56.187 1.73673 -15.4986 -86.1533 -49.4508 -87.91 2.71033 TIMING: 979800 CPU: 3099.64, 0.00323392/step Wall: 3099.64, 0.00323392/step, 3.61139 hours remaining, 237.515625 MB of memory in use. ENERGY: 979800 3993.9392 20630.6570 14489.1686 252.8001 -203815.8119 2875.4636 0.0000 0.0000 52077.1869 -109496.5965 299.2883 -161573.7834 -109133.0703 298.8298 159.4834 178.3437 759884.5263 4.3802 4.3881 PRESSURE: 980000 30.4659 82.1688 -337.248 82.1693 81.9818 206.9 -337.249 206.901 -27.4214 GPRESSURE: 980000 9.66538 176.319 -275.763 120.868 153.349 164.008 -275.39 222.775 4.24129 PRESSAVG: 980000 -5.26479 -26.3794 -9.75354 -26.3794 -5.53986 -51.8992 -9.75354 -51.8991 -23.823 GPRESSAVG: 980000 -5.7216 -24.2211 -7.40379 -28.0567 -5.28173 -54.315 -10.3369 -48.5722 -23.8727 TIMING: 980000 CPU: 3100.29, 0.00321425/step Wall: 3100.29, 0.00321425/step, 3.58924 hours remaining, 237.515625 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: 980000 3973.8135 20787.1228 14444.6857 252.6068 -203445.5518 2674.3045 0.0000 0.0000 51896.3471 -109416.6714 298.2490 -161313.0185 -109052.3005 299.6776 28.3421 55.7520 762859.8959 -11.5426 -11.6254 PRESSURE: 980200 52.0092 10.507 266.355 10.5078 -88.3347 -255.499 266.355 -255.498 -389.77 GPRESSURE: 980200 37.0415 -198.072 93.981 -53.6634 -60.4608 -179.353 179.564 -307.154 -323.737 PRESSAVG: 980200 -12.367 -17.1235 51.6055 -17.1235 12.9598 -22.2994 51.6054 -22.2995 -3.1303 GPRESSAVG: 980200 -12.3328 -18.0349 50.5634 -17.0022 12.8634 -20.5871 51.5605 -22.6878 -3.43016 TIMING: 980200 CPU: 3100.93, 0.00319982/step Wall: 3100.93, 0.00319982/step, 3.57296 hours remaining, 237.515625 MB of memory in use. ENERGY: 980200 4030.5133 20701.7140 14409.8711 245.6236 -202940.0507 2355.5724 0.0000 0.0000 51748.7336 -109448.0226 297.4007 -161196.7562 -109094.2454 298.7829 -142.0320 -115.7187 762326.4821 -0.8458 -0.9665 LDB: ============= START OF LOAD BALANCING ============== 3113.38 LDB: ============== END OF LOAD BALANCING =============== 3113.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3113.38 LDB: ============= START OF LOAD BALANCING ============== 3113.71 LDB: Largest compute 7034 load 0.037177 is 19.1% of average load 0.195099 LDB: Average compute 0.004395 is 2.3% of average load 0.195099 LDB: TIME 3113.71 LOAD: AVG 0.195099 MAX 0.2181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.367 MB LDB: TIME 3113.71 LOAD: AVG 0.195099 MAX 0.2181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: TIME 3113.71 LOAD: AVG 0.195099 MAX 0.217299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.438 MB LDB: ============== END OF LOAD BALANCING =============== 3113.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3113.72 PRESSURE: 980400 94.6417 -264.367 65.0475 -264.366 196.222 -154.501 65.0463 -154.5 189.641 GPRESSURE: 980400 71.516 -284.563 56.643 -214.88 206.703 -188.822 126.546 -188.151 277.174 PRESSAVG: 980400 34.7319 18.995 18.6379 18.9949 -2.05345 -31.073 18.6379 -31.0729 -2.98622 GPRESSAVG: 980400 35.4339 19.573 19.8362 19.8958 -2.65331 -31.7807 18.3657 -33.1268 -3.18854 TIMING: 980400 CPU: 3101.58, 0.00326968/step Wall: 3101.58, 0.00326968/step, 3.65078 hours remaining, 237.757812 MB of memory in use. ENERGY: 980400 3918.3318 20747.6479 14459.3229 241.1910 -203689.5195 2586.0874 0.0000 0.0000 52314.4909 -109422.4477 300.6521 -161736.9386 -109058.6473 299.1832 160.1683 185.1308 759848.2728 9.8974 9.8640 PRESSURE: 980600 -293.791 -48.6178 215.289 -48.6172 -211.584 -229.653 215.29 -229.654 -173.284 GPRESSURE: 980600 -109.16 -33.7873 329.413 114.011 -274.585 -227.5 -7.95995 -181.125 -218.224 PRESSAVG: 980600 28.3243 11.3758 45.2747 11.3757 -2.17521 -10.4098 45.2747 -10.4098 10.7045 GPRESSAVG: 980600 28.3822 13.4639 45.0991 10.7009 -2.39965 -9.75484 44.8145 -7.47143 11.1693 TIMING: 980600 CPU: 3102.22, 0.0032146/step Wall: 3102.22, 0.0032146/step, 3.5891 hours remaining, 237.757812 MB of memory in use. ENERGY: 980600 3987.1827 20615.0024 14468.3837 245.1448 -203792.4733 2783.8247 0.0000 0.0000 52388.1469 -109304.7882 301.0754 -161692.9351 -108938.6446 299.7418 -226.2195 -200.6566 760495.5852 12.2845 12.3840 PRESSURE: 980800 -363.833 169.755 -47.0929 169.755 -339.146 -93.9982 -47.0929 -93.9983 65.1133 GPRESSURE: 980800 -427.184 38.7227 44.2686 78.2404 -210.122 -90.3231 -33.4736 -183.561 59.3876 PRESSAVG: 980800 -47.0688 29.7673 33.6082 29.7673 9.73863 -42.5047 33.6081 -42.5048 -6.75583 GPRESSAVG: 980800 -47.0451 28.1678 34.3887 28.8948 9.98817 -41.5967 32.3116 -44.5925 -6.87852 TIMING: 980800 CPU: 3102.86, 0.00318026/step Wall: 3102.86, 0.00318026/step, 3.55058 hours remaining, 237.984375 MB of memory in use. ENERGY: 980800 4044.2590 20631.1150 14519.9514 255.5420 -203616.1942 2543.4518 0.0000 0.0000 52470.3213 -109151.5537 301.5477 -161621.8750 -108787.7045 299.8280 -212.6218 -192.6395 762049.6608 -14.6953 -14.6452 PRESSURE: 981000 253.927 57.2115 90.2466 57.2113 58.2819 -36.38 90.247 -36.3807 120.759 GPRESSURE: 981000 306.722 55.3714 66.2901 106.544 69.8209 9.87038 147.612 -34.7175 149.481 PRESSAVG: 981000 25.3878 14.6243 7.59208 14.6242 18.504 -36.0651 7.59207 -36.0651 -3.28563 GPRESSAVG: 981000 25.4791 13.247 6.93987 16.8791 18.75 -34.7661 10.9764 -36.2737 -3.03872 TIMING: 981000 CPU: 3103.5, 0.00321412/step Wall: 3103.5, 0.00321412/step, 3.58821 hours remaining, 237.984375 MB of memory in use. ENERGY: 981000 3974.7885 20509.4863 14477.4139 237.3855 -203878.6312 3077.2980 0.0000 0.0000 52306.1807 -109296.0782 300.6043 -161602.2589 -108925.6115 299.6698 144.3225 175.3414 760848.2632 13.5354 13.7301 PRESSURE: 981200 359.763 -158.127 43.1603 -158.126 8.34304 -102.087 43.16 -102.089 154.769 GPRESSURE: 981200 275.114 -127.368 151.874 -76.0756 88.588 -105.398 -49.3803 -104.42 233.369 PRESSAVG: 981200 15.3421 -4.55668 33.0446 -4.55668 21.5523 2.04592 33.0446 2.04592 5.99343 GPRESSAVG: 981200 16.0273 -3.14165 33.0238 -7.75168 21.0952 -0.701839 28.9647 2.81948 5.83348 TIMING: 981200 CPU: 3104.14, 0.00320472/step Wall: 3104.14, 0.00320472/step, 3.57753 hours remaining, 238.187500 MB of memory in use. ENERGY: 981200 3980.1377 20582.2629 14474.8626 258.6641 -203543.6924 2685.3612 0.0000 0.0000 52242.0906 -109320.3132 300.2360 -161562.4039 -108962.4511 300.1222 174.2918 199.0236 760392.2082 14.2959 14.3187 PRESSURE: 981400 222.835 -22.0703 -19.129 -22.0704 21.2647 -62.2755 -19.1292 -62.2746 148.392 GPRESSURE: 981400 211.429 -53.683 -2.77844 -40.0734 134.615 -43.5021 74.6743 -2.95007 117.622 PRESSAVG: 981400 24.3338 4.77607 -7.89417 4.77607 -10.1628 -5.56262 -7.89416 -5.56261 3.56383 GPRESSAVG: 981400 23.4212 5.0368 -9.3042 7.13388 -9.1591 -5.29842 -5.04383 -3.05687 3.34446 TIMING: 981400 CPU: 3104.79, 0.00320314/step Wall: 3104.79, 0.00320314/step, 3.5756 hours remaining, 238.187500 MB of memory in use. ENERGY: 981400 3879.7740 20605.0476 14467.3623 246.9428 -203384.2407 2695.8066 0.0000 0.0000 51961.9669 -109527.3406 298.6261 -161489.3075 -109158.5918 299.3376 130.8307 154.5550 761782.0577 5.9116 5.8689 PRESSURE: 981600 81.7492 70.4879 20.4154 70.4873 -73.6981 128.213 20.4142 128.215 52.8159 GPRESSURE: 981600 125.108 49.4897 45.5821 48.6301 -43.9536 200.468 -4.57273 41.8382 45.7622 PRESSAVG: 981600 20.356 -1.08298 10.1227 -1.08302 -40.2754 -37.8549 10.1227 -37.8548 -28.3759 GPRESSAVG: 981600 20.5504 -0.873165 11.0784 -2.74138 -40.7517 -37.8305 8.41212 -40.3313 -28.2121 TIMING: 981600 CPU: 3105.42, 0.00317799/step Wall: 3105.42, 0.00317799/step, 3.54734 hours remaining, 238.187500 MB of memory in use. ENERGY: 981600 3957.1556 20442.4948 14508.5687 250.6155 -203733.8714 2962.2221 0.0000 0.0000 52058.0325 -109554.7823 299.1782 -161612.8147 -109193.4390 298.8328 20.2890 42.3055 762680.2401 -16.0984 -16.1378 PRESSURE: 981800 -121.043 -19.2652 269.609 -19.2654 4.5279 38.6816 269.609 38.6813 123.102 GPRESSURE: 981800 -100.837 -79.1683 248.885 -107.765 82.0114 29.7096 170.896 -80.6291 107.548 PRESSAVG: 981800 33.9567 -8.2781 9.80569 -8.27809 -40.3926 5.0986 9.80562 5.09862 21.2779 GPRESSAVG: 981800 34.5039 -9.33106 11.32 -9.62569 -40.936 5.15529 8.58816 6.02134 20.9951 TIMING: 981800 CPU: 3106.07, 0.003222/step Wall: 3106.07, 0.003222/step, 3.59628 hours remaining, 238.187500 MB of memory in use. ENERGY: 981800 3904.8412 20557.4918 14468.8421 236.4357 -203029.4015 2405.6897 0.0000 0.0000 52039.8773 -109416.2238 299.0739 -161456.1011 -109050.4996 298.9882 2.1956 29.5740 763751.3658 4.9473 4.8543 PRESSURE: 982000 126.303 -153.597 156.344 -153.596 -107.682 140.139 156.345 140.14 -249.19 GPRESSURE: 982000 139.599 -138.945 116.979 -94.2412 -73.9967 159.208 124.171 138.23 -212.628 PRESSAVG: 982000 -6.37981 -0.0832957 16.7516 -0.0832865 9.7729 -16.0248 16.7516 -16.0248 8.97873 GPRESSAVG: 982000 -8.08457 1.39364 15.623 0.656362 10.2837 -15.5539 19.0628 -14.9985 10.1464 TIMING: 982000 CPU: 3106.7, 0.00319465/step Wall: 3106.7, 0.00319465/step, 3.56558 hours remaining, 238.187500 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: 982000 4018.2759 20584.2782 14504.7164 242.2849 -203342.2770 2665.5682 0.0000 0.0000 51840.5384 -109486.6150 297.9283 -161327.1534 -109128.1767 298.6547 -76.8561 -49.0086 760721.5733 4.1239 4.1152 PRESSURE: 982200 -33.0126 29.1217 -134.942 29.122 0.334876 -40.3392 -134.942 -40.3388 371.423 GPRESSURE: 982200 -26.8163 -25.7803 -146.349 30.4299 75.2897 -26.2487 -171.274 -57.3435 369.885 PRESSAVG: 982200 11.078 -15.9542 -6.7878 -15.9542 -16.4509 -51.794 -6.78782 -51.794 0.69984 GPRESSAVG: 982200 11.9102 -16.4378 -7.34734 -14.9242 -16.1624 -49.4651 -7.80136 -52.867 -0.934643 TIMING: 982200 CPU: 3107.34, 0.0031944/step Wall: 3107.34, 0.0031944/step, 3.56512 hours remaining, 238.187500 MB of memory in use. ENERGY: 982200 3972.0382 20576.6449 14453.3000 243.7606 -203196.0845 2516.1498 0.0000 0.0000 51906.9490 -109527.2420 298.3099 -161434.1910 -109167.3191 298.9868 112.9152 139.4528 761754.3876 -1.5577 -1.7289 PRESSURE: 982400 -161.426 144.333 13.6557 144.333 72.131 139.457 13.6557 139.457 -22.9079 GPRESSURE: 982400 -73.1107 -11.0213 24.5551 215.427 85.4167 115.1 39.9821 76.2055 -46.5504 PRESSAVG: 982400 -30.683 -53.8927 11.1837 -53.8927 -15.9752 18.6181 11.1837 18.6182 11.5987 GPRESSAVG: 982400 -31.599 -53.6674 11.6622 -55.0666 -16.0085 17.2412 11.2309 17.0601 12.1685 TIMING: 982400 CPU: 3107.98, 0.00319096/step Wall: 3107.98, 0.00319096/step, 3.56111 hours remaining, 238.187500 MB of memory in use. ENERGY: 982400 3931.7589 20473.3702 14518.0686 242.0010 -203479.2352 2674.6196 0.0000 0.0000 52179.4486 -109459.9684 299.8760 -161639.4170 -109094.7576 298.6295 -37.4009 -11.4148 763136.2753 -11.6865 -11.8130 PRESSURE: 982600 188.149 187.119 46.6024 187.118 303.619 123.794 46.6026 123.793 -217.842 GPRESSURE: 982600 216.444 95.1217 72.9128 164.136 297.193 105.312 -37.7986 141.809 -172.495 PRESSAVG: 982600 -41.8982 -23.1023 0.517923 -23.1024 32.9567 -19.5684 0.517912 -19.5684 43.5727 GPRESSAVG: 982600 -41.5645 -25.4066 0.345312 -22.7157 33.3368 -19.0191 1.50116 -18.9848 42.9867 TIMING: 982600 CPU: 3108.62, 0.00317319/step Wall: 3108.62, 0.00317319/step, 3.5411 hours remaining, 238.187500 MB of memory in use. ENERGY: 982600 4018.2497 20482.9843 14510.6113 240.0427 -202973.6640 2411.8933 0.0000 0.0000 52087.8698 -109222.0129 299.3497 -161309.8828 -108864.0228 299.3716 91.3085 113.7139 761321.7756 11.5438 11.5863 PRESSURE: 982800 209.863 49.2752 -4.43722 49.275 -348.099 -82.973 -4.437 -82.9752 110.478 GPRESSURE: 982800 206.693 153.954 -43.5024 1.41162 -268.398 -64.7517 5.77789 8.80837 108.523 PRESSAVG: 982800 -17.9974 -21.4189 -68.8515 -21.4189 22.2866 90.7709 -68.8515 90.7709 20.2466 GPRESSAVG: 982800 -19.3757 -19.3606 -68.2098 -22.1316 22.785 88.683 -70.5542 93.0854 21.1485 TIMING: 982800 CPU: 3109.25, 0.00315655/step Wall: 3109.25, 0.00315655/step, 3.52236 hours remaining, 238.187500 MB of memory in use. ENERGY: 982800 3923.4990 20354.3704 14548.6811 229.1548 -203176.4269 2639.0544 0.0000 0.0000 52080.5179 -109401.1494 299.3075 -161481.6673 -109033.2271 299.2809 -9.2527 15.6060 761693.2992 8.1786 8.1859 PRESSURE: 983000 272.014 21.8039 -88.5982 21.8045 -157.873 -106.036 -88.5982 -106.035 -11.6061 GPRESSURE: 983000 231.553 -37.1955 -85.2492 -16.8553 39.1272 -71.5429 56.4379 -53.3991 -93.9975 PRESSAVG: 983000 69.8398 -11.0666 -20.0009 -11.0666 -39.2048 7.67946 -20.0009 7.67945 -28.0134 GPRESSAVG: 983000 69.8558 -11.8799 -20.7793 -8.57414 -38.5486 9.19712 -19.7124 4.93657 -29.0328 TIMING: 983000 CPU: 3109.88, 0.0031726/step Wall: 3109.88, 0.0031726/step, 3.54009 hours remaining, 238.187500 MB of memory in use. ENERGY: 983000 3949.4395 20329.6828 14509.6281 250.9868 -203448.5888 2743.7109 0.0000 0.0000 51959.3592 -109705.7816 298.6112 -161665.1408 -109342.8881 298.9222 34.1781 58.8941 762441.0101 0.8739 0.7582 PRESSURE: 983200 115.253 -252.904 -103.867 -252.904 -35.3916 -190.532 -103.867 -190.533 41.6224 GPRESSURE: 983200 105.094 -81.6163 -142.037 -335.635 1.70859 -229.177 -214.686 -209.673 95.501 PRESSAVG: 983200 45.9756 -10.2364 -51.6868 -10.2364 -69.339 -3.46686 -51.6868 -3.46686 -1.6878 GPRESSAVG: 983200 46.8852 -9.16847 -50.8741 -12.4443 -70.8875 -2.87773 -51.0612 -0.43909 -1.41444 TIMING: 983200 CPU: 3110.52, 0.00317412/step Wall: 3110.52, 0.00317412/step, 3.54161 hours remaining, 238.187500 MB of memory in use. ENERGY: 983200 3938.0836 20572.7888 14477.9588 246.9684 -203281.5872 2429.1267 0.0000 0.0000 52097.4246 -109519.2363 299.4046 -161616.6609 -109163.9987 298.7583 40.4947 67.4346 761647.2472 -8.3504 -8.4723 PRESSURE: 983400 38.8254 -148.235 -88.6195 -148.236 -399.57 -56.4527 -88.6203 -56.4521 -181.572 GPRESSURE: 983400 17.5012 -108.585 -129.199 -91.5544 -213.956 -53.5279 -4.75261 -25.3517 -254.517 PRESSAVG: 983400 21.0743 -46.202 -14.4967 -46.202 -17.3101 40.9148 -14.4966 40.9148 -6.38978 GPRESSAVG: 983400 20.4942 -46.502 -14.2166 -45.1473 -17.8747 39.5502 -15.8567 40.0778 -5.44921 TIMING: 983400 CPU: 3111.15, 0.00317446/step Wall: 3111.15, 0.00317446/step, 3.54181 hours remaining, 238.187500 MB of memory in use. ENERGY: 983400 4027.5574 20651.7579 14530.1526 265.2217 -203691.9343 2788.0954 0.0000 0.0000 52014.5715 -109414.5777 298.9285 -161429.1492 -109066.3083 299.2236 -180.7725 -150.3241 761541.9976 -0.8752 -0.9432 PRESSURE: 983600 -63.1506 162.313 199.186 162.313 55.1855 -29.9492 199.187 -29.9504 278.341 GPRESSURE: 983600 -81.2488 148.689 114.137 125.184 122.882 9.80325 245.872 -14.3854 316.808 PRESSAVG: 983600 44.3994 -9.82672 12.3871 -9.82673 -41.5852 47.4144 12.3872 47.4144 -4.53312 GPRESSAVG: 983600 42.7478 -9.60063 10.8349 -11.2067 -39.9063 48.5093 13.1863 44.632 -4.34518 TIMING: 983600 CPU: 3111.79, 0.00317176/step Wall: 3111.79, 0.00317176/step, 3.53863 hours remaining, 238.187500 MB of memory in use. ENERGY: 983600 4036.7692 20315.6854 14586.3544 254.9248 -203779.6948 2757.6028 0.0000 0.0000 52172.9897 -109655.3685 299.8389 -161828.3582 -109295.1021 298.9719 90.1251 119.4804 760027.5136 -0.5730 -0.5012 PRESSURE: 983800 408.411 -157.748 236.299 -157.747 201.107 -174.973 236.298 -174.973 268.856 GPRESSURE: 983800 351.502 -99.4665 153.88 -63.3558 305.77 -214.064 142.203 -125.075 293.883 PRESSAVG: 983800 -2.72915 5.38589 -13.0375 5.38592 -27.2282 20.1397 -13.0375 20.1397 5.19341 GPRESSAVG: 983800 -0.832086 7.59327 -12.1186 6.79397 -28.9416 17.5434 -12.6829 22.8266 5.14408 TIMING: 983800 CPU: 3112.42, 0.00316828/step Wall: 3112.42, 0.00316828/step, 3.53456 hours remaining, 238.187500 MB of memory in use. ENERGY: 983800 3955.4818 20481.9522 14536.6761 248.0914 -203660.3845 2818.8508 0.0000 0.0000 52038.1562 -109581.1760 299.0640 -161619.3322 -109219.4416 299.1397 292.7914 317.0514 761013.9266 -8.2546 -8.2099 PRESSURE: 984000 220.955 104.467 158.562 104.467 187.889 123.397 158.563 123.397 -175.875 GPRESSURE: 984000 221.852 115.827 6.59389 151.729 182.363 139.329 135.679 141.411 -103.558 PRESSAVG: 984000 91.6541 28.1362 -15.546 28.1362 -67.5879 -0.389245 -15.5461 -0.389278 -24.0806 GPRESSAVG: 984000 91.3617 25.3212 -15.2262 27.5175 -68.1685 0.925864 -16.5787 -3.14231 -23.854 TIMING: 984000 CPU: 3113.06, 0.00321917/step Wall: 3113.06, 0.00321917/step, 3.59116 hours remaining, 238.187500 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: 984000 3999.2152 20680.2354 14478.0211 260.3199 -203559.5673 2580.2443 0.0000 0.0000 52016.1845 -109545.3469 298.9377 -161561.5314 -109180.7969 298.6855 77.6563 100.2191 761901.6870 -0.0048 -0.2203 PRESSURE: 984200 37.4992 87.6509 -66.6012 87.651 79.2177 192.964 -66.6015 192.965 343.489 GPRESSURE: 984200 6.44898 -22.9831 -88.3261 47.5787 213.458 197.543 -77.4049 220.629 316.236 PRESSAVG: 984200 -11.0144 15.637 1.38692 15.6371 1.38764 38.7267 1.38692 38.7267 0.0239227 GPRESSAVG: 984200 -11.2435 15.6027 2.39975 16.1495 2.93223 37.8037 -0.00194598 41.5593 -1.39698 TIMING: 984200 CPU: 3113.7, 0.00320006/step Wall: 3113.7, 0.00320006/step, 3.56967 hours remaining, 238.187500 MB of memory in use. ENERGY: 984200 4028.8287 20510.1780 14515.8837 224.7652 -203987.0735 3065.2972 0.0000 0.0000 51998.4851 -109643.6355 298.8360 -161642.1207 -109273.9281 298.8067 153.4021 178.7143 760027.3809 -3.2009 -3.2361 LDB: ============= START OF LOAD BALANCING ============== 3126.16 LDB: ============== END OF LOAD BALANCING =============== 3126.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3126.16 LDB: ============= START OF LOAD BALANCING ============== 3126.48 LDB: Largest compute 7069 load 0.035665 is 18.3% of average load 0.195123 LDB: Average compute 0.004396 is 2.3% of average load 0.195123 LDB: TIME 3126.48 LOAD: AVG 0.195123 MAX 0.211902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.555 MB LDB: TIME 3126.48 LOAD: AVG 0.195123 MAX 0.211902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: TIME 3126.48 LOAD: AVG 0.195123 MAX 0.211902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: ============== END OF LOAD BALANCING =============== 3126.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3126.49 PRESSURE: 984400 -49.6377 -132.43 -223.216 -132.43 -246.344 54.1775 -223.216 54.1772 -268.615 GPRESSURE: 984400 -35.3507 -127.594 -220.157 -137.486 -190.918 61.9988 -35.6156 -24.2862 -257.71 PRESSAVG: 984400 17.1393 13.828 35.8272 13.828 7.93956 -35.2829 35.8272 -35.2829 -12.1506 GPRESSAVG: 984400 18.1369 14.5017 34.0019 12.9556 7.06386 -34.6556 37.6214 -36.0639 -12.605 TIMING: 984400 CPU: 3114.35, 0.00325325/step Wall: 3114.35, 0.00325325/step, 3.62882 hours remaining, 238.550781 MB of memory in use. ENERGY: 984400 4063.8224 20415.4017 14508.9470 245.4744 -203511.0420 2612.6569 0.0000 0.0000 51952.5799 -109712.1597 298.5722 -161664.7396 -109350.1870 298.7510 -188.1991 -161.3263 760919.8467 4.3094 4.1986 PRESSURE: 984600 -110.634 7.38806 53.1173 7.38838 55.7684 299.637 53.118 299.638 -63.2244 GPRESSURE: 984600 -27.2148 44.7883 68.8524 116.966 95.9189 338.133 53.2112 69.875 -103.858 PRESSAVG: 984600 62.267 -2.32286 41.5319 -2.32284 -69.6759 -28.1853 41.5319 -28.1852 1.92883 GPRESSAVG: 984600 60.8793 -2.8216 41.5142 0.0107561 -69.5655 -28.4755 43.5866 -29.9109 3.23922 TIMING: 984600 CPU: 3114.99, 0.00320563/step Wall: 3114.99, 0.00320563/step, 3.57552 hours remaining, 238.621094 MB of memory in use. ENERGY: 984600 3996.0007 20622.5894 14529.5632 271.1508 -203978.5143 2779.6111 0.0000 0.0000 51920.6869 -109858.9123 298.3889 -161779.5992 -109505.6474 298.6425 -39.3634 -11.7181 759520.8761 -1.8267 -1.8157 PRESSURE: 984800 -311.492 5.20939 16.3695 5.20937 -275.434 67.1376 16.37 67.1371 202.632 GPRESSURE: 984800 -287.022 41.5685 45.6205 -17.5716 -214.309 43.1286 1.00928 46.9008 196.588 PRESSAVG: 984800 9.91068 9.26308 58.2624 9.26311 -67.3549 -52.0713 58.2623 -52.0712 4.69266 GPRESSAVG: 984800 9.21293 11.4778 58.5969 6.25983 -67.0278 -51.8212 55.2606 -50.7203 5.27248 TIMING: 984800 CPU: 3115.64, 0.00321058/step Wall: 3115.64, 0.00321058/step, 3.58087 hours remaining, 238.621094 MB of memory in use. ENERGY: 984800 4019.2468 20671.9086 14564.3973 239.9567 -203661.2621 2547.6387 0.0000 0.0000 51787.7128 -109830.4012 297.6247 -161618.1139 -109477.7966 298.4278 -128.0981 -101.5811 761064.6043 -17.5838 -17.5141 PRESSURE: 985000 398.673 117.854 73.5008 117.853 79.3715 -165.678 73.5009 -165.678 -519.482 GPRESSURE: 985000 313.342 16.7428 137.651 115.17 111.384 -121.571 35.511 -167.506 -391.81 PRESSAVG: 985000 -4.77556 -10.883 34.4477 -10.8831 -81.8332 -8.57261 34.4477 -8.57255 17.2276 GPRESSAVG: 985000 -4.2341 -14.4638 36.7491 -7.23499 -81.154 -8.06341 34.6799 -8.50873 16.4328 TIMING: 985000 CPU: 3116.27, 0.00317648/step Wall: 3116.27, 0.00317648/step, 3.54266 hours remaining, 238.621094 MB of memory in use. ENERGY: 985000 3952.1039 20453.9668 14452.9679 232.2831 -203389.7025 2538.6806 0.0000 0.0000 52038.1444 -109721.5557 299.0639 -161759.7001 -109347.9656 298.2014 -13.8126 10.9722 760496.6465 -23.1270 -22.9851 PRESSURE: 985200 -235.366 -26.8729 -65.0316 -26.8733 285.152 -138.514 -65.0318 -138.514 -132.475 GPRESSURE: 985200 -133.701 37.7359 21.0039 -44.66 250.297 -58.7359 -131.49 -23.8993 -122.997 PRESSAVG: 985200 53.7676 -8.99918 -2.99376 -8.99923 -31.723 31.4451 -2.9938 31.4452 1.34475 GPRESSAVG: 985200 53.5887 -7.25199 -4.27943 -10.3651 -32.4329 31.8742 -3.84744 31.7611 1.7182 TIMING: 985200 CPU: 3116.91, 0.00320258/step Wall: 3116.91, 0.00320258/step, 3.57158 hours remaining, 238.824219 MB of memory in use. ENERGY: 985200 4002.8429 20495.3831 14508.1801 263.7963 -203620.7209 2585.3105 0.0000 0.0000 52009.9620 -109755.2459 298.9020 -161765.2080 -109394.4177 298.4966 -27.5632 -2.1338 760785.0126 7.7965 7.6247 PRESSURE: 985400 -145.217 4.43324 15.4137 4.43354 -80.2632 194.589 15.4131 194.589 -283.363 GPRESSURE: 985400 -93.5299 -24.9477 23.4922 -110.056 -104.116 295.867 42.157 136.737 -231.818 PRESSAVG: 985400 4.91216 -24.5539 -5.06018 -24.5539 -8.0651 2.11452 -5.06018 2.11454 2.84795 GPRESSAVG: 985400 6.30547 -24.7823 -5.77957 -24.9601 -9.26823 2.72152 -4.23208 1.34189 3.12358 TIMING: 985400 CPU: 3117.55, 0.0032089/step Wall: 3117.55, 0.0032089/step, 3.57846 hours remaining, 238.824219 MB of memory in use. ENERGY: 985400 3933.0002 20586.8811 14464.8762 242.8508 -203469.2547 2411.3641 0.0000 0.0000 52176.9080 -109653.3744 299.8614 -161830.2824 -109291.2209 299.0219 -169.6143 -143.1547 760572.0461 -0.1017 0.0536 PRESSURE: 985600 28.0534 -214.228 -52.7398 -214.228 -105.9 152.598 -52.7398 152.599 -12.5198 GPRESSURE: 985600 105.392 -217.081 -27.8306 -217.782 -73.0013 241.087 -211.322 207.345 -27.8291 PRESSAVG: 985600 -16.2168 4.86101 39.3802 4.86102 -31.0145 6.30948 39.3802 6.30954 2.09261 GPRESSAVG: 985600 -16.124 5.86356 37.3867 5.5204 -30.6933 4.51309 40.8075 5.45235 1.56035 TIMING: 985600 CPU: 3118.19, 0.00319795/step Wall: 3118.19, 0.00319795/step, 3.56607 hours remaining, 238.824219 MB of memory in use. ENERGY: 985600 4098.4824 20456.9993 14493.2295 236.7495 -203395.5010 2736.5482 0.0000 0.0000 51982.2133 -109391.2787 298.7425 -161373.4920 -109034.3296 298.7462 -30.1222 1.5206 762079.0679 -15.0462 -15.0857 PRESSURE: 985800 42.4803 -127.847 -70.6539 -127.847 -533.144 298.327 -70.6544 298.327 89.1553 GPRESSURE: 985800 63.7046 -80.0053 -62.0756 -37.943 -441.264 286.444 -51.67 240.016 66.8332 PRESSAVG: 985800 -7.36057 -10.858 -17.8839 -10.8581 -15.9613 34.4551 -17.8839 34.4551 -4.64187 GPRESSAVG: 985800 -8.53516 -10.3007 -15.9468 -10.7231 -15.1363 34.4889 -18.1097 34.2914 -4.21288 TIMING: 985800 CPU: 3118.83, 0.00320164/step Wall: 3118.83, 0.00320164/step, 3.57001 hours remaining, 238.824219 MB of memory in use. ENERGY: 985800 4038.4239 20398.1424 14516.2335 242.0414 -203348.5276 2621.4056 0.0000 0.0000 51981.0749 -109551.2059 298.7360 -161532.2809 -109188.1282 298.9808 -133.8362 -103.5753 759967.6436 -9.3213 -9.2948 PRESSURE: 986000 -86.0409 -34.0814 -65.1219 -34.0812 28.6022 -243.147 -65.1218 -243.146 471.979 GPRESSURE: 986000 -5.93232 51.9746 -136.797 -74.8924 48.4619 -256.342 -42.1124 -244.702 454.504 PRESSAVG: 986000 14.3327 11.592 -1.03051 11.5919 -56.2983 11.2906 -1.03053 11.2907 -29.2814 GPRESSAVG: 986000 14.4629 10.6471 -1.11855 9.56368 -55.5412 11.1092 -1.00676 13.3546 -29.7411 TIMING: 986000 CPU: 3119.47, 0.00319081/step Wall: 3119.47, 0.00319081/step, 3.55776 hours remaining, 238.824219 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: 986000 3962.4520 20550.1377 14550.6558 254.7136 -203362.8114 2457.6194 0.0000 0.0000 52006.9343 -109580.2986 298.8846 -161587.2329 -109214.3384 298.7756 138.1802 165.6779 758828.4169 -23.7490 -23.6065 PRESSURE: 986200 17.1201 -120.19 216.986 -120.19 -39.5773 306.478 216.987 306.478 230.998 GPRESSURE: 986200 161.554 -80.0605 197.982 -39.119 -108.978 277.361 163.167 154.068 229.774 PRESSAVG: 986200 -57.347 4.26238 19.0457 4.26239 15.1178 -39.5017 19.0457 -39.5017 -1.28875 GPRESSAVG: 986200 -56.2272 3.6958 18.6421 6.77952 13.8729 -37.7263 19.5986 -42.2744 -1.26202 TIMING: 986200 CPU: 3120.11, 0.00320187/step Wall: 3120.11, 0.00320187/step, 3.56991 hours remaining, 238.824219 MB of memory in use. ENERGY: 986200 4036.3626 20553.4546 14467.6550 258.1039 -203499.8084 2816.6293 0.0000 0.0000 52166.7852 -109200.8179 299.8032 -161367.6031 -108831.8959 299.2990 69.5136 94.1167 759736.5420 -14.5060 -14.5388 PRESSURE: 986400 -111.02 -73.415 -127.358 -73.415 -118.029 -137.55 -127.359 -137.55 8.10526 GPRESSURE: 986400 -73.7333 11.7228 -107.183 -95.7482 -109.287 -182.232 -2.56059 -116.565 51.9908 PRESSAVG: 986400 -30.7559 31.9373 -11.8881 31.9374 21.436 23.6462 -11.8881 23.6461 -4.38027 GPRESSAVG: 986400 -31.4229 34.5403 -11.4984 29.0507 20.8462 21.8157 -13.5319 25.9853 -3.71096 TIMING: 986400 CPU: 3120.75, 0.00320083/step Wall: 3120.75, 0.00320083/step, 3.56857 hours remaining, 238.824219 MB of memory in use. ENERGY: 986400 4024.0608 20457.7334 14524.8368 260.5663 -203110.3979 2531.8596 0.0000 0.0000 51942.3456 -109368.9955 298.5134 -161311.3411 -108998.1528 299.5806 -73.6478 -43.6764 760762.9034 -4.5667 -4.7626 PRESSURE: 986600 420.355 200.414 170.334 200.414 56.7893 -238.182 170.334 -238.182 -77.7533 GPRESSURE: 986600 378.297 231.525 186.163 105.281 85.5675 -271.206 10.7508 -248.015 3.19873 PRESSAVG: 986600 -4.27459 14.7073 25.2384 14.7073 -28.9787 1.52103 25.2383 1.52101 -10.1699 GPRESSAVG: 986600 -4.1352 14.1599 25.9739 15.8021 -29.0641 1.60029 25.659 0.170398 -10.3318 TIMING: 986600 CPU: 3121.39, 0.00319139/step Wall: 3121.39, 0.00319139/step, 3.55786 hours remaining, 238.824219 MB of memory in use. ENERGY: 986600 3988.5154 20653.1412 14463.4022 254.9789 -203149.1063 2452.7961 0.0000 0.0000 51873.8621 -109462.4104 298.1198 -161336.2725 -109104.2408 299.0733 133.1304 155.6877 760149.6608 -14.4744 -14.5103 PRESSURE: 986800 -6.53786 20.4486 -244.233 20.4493 3.55142 -33.0857 -244.233 -33.0841 -24.8979 GPRESSURE: 986800 104.432 6.05356 -316.116 46.5898 -4.76844 -72.121 -237.271 95.7293 -42.7813 PRESSAVG: 986800 -19.7524 27.3335 26.2158 27.3334 29.2765 -29.5674 26.2157 -29.5673 -0.21633 GPRESSAVG: 986800 -19.411 25.7273 24.5658 27.0831 29.4497 -29.2791 25.8257 -29.4243 -0.466145 TIMING: 986800 CPU: 3122.02, 0.00316393/step Wall: 3122.02, 0.00316393/step, 3.52708 hours remaining, 238.824219 MB of memory in use. ENERGY: 986800 4069.5493 20390.4465 14566.9615 237.6573 -203410.1924 2546.9268 0.0000 0.0000 52178.1937 -109420.4572 299.8688 -161598.6510 -109052.6946 298.9677 -9.2948 18.9608 760943.0283 3.1026 3.1909 PRESSURE: 987000 -221.8 16.0983 17.8904 16.098 -11.3041 -219.765 17.8908 -219.766 -57.6449 GPRESSURE: 987000 -183.374 26.4092 48.6095 107.977 36.9787 -280.575 -22.3093 -113.205 -53.8903 PRESSAVG: 987000 17.2859 19.3869 7.65505 19.3869 -4.24637 -1.81065 7.65506 -1.81076 -16.2394 GPRESSAVG: 987000 15.2961 21.8335 8.37951 17.2635 -2.49131 -1.73587 8.87992 -1.80077 -15.7599 TIMING: 987000 CPU: 3122.67, 0.00320512/step Wall: 3122.67, 0.00320512/step, 3.57282 hours remaining, 238.824219 MB of memory in use. ENERGY: 987000 3945.0459 20593.7409 14495.1374 236.6258 -203261.7883 2433.9048 0.0000 0.0000 51997.5359 -109559.7976 298.8306 -161557.3335 -109195.8552 298.9138 -96.9162 -66.7619 761698.5331 -1.0666 -0.9850 PRESSURE: 987200 -211.924 74.5915 145.794 74.5922 -344.986 41.0879 145.794 41.0876 144.6 GPRESSURE: 987200 -136.908 104.875 130.653 17.0729 -282.45 -31.608 214.137 177.9 81.5206 PRESSAVG: 987200 -24.9451 22.8189 -7.17373 22.8189 14.6891 -13.6111 -7.1737 -13.6111 -7.74592 GPRESSAVG: 987200 -24.315 20.7729 -7.05947 24.5453 14.1865 -13.2031 -7.60573 -12.1406 -7.65149 TIMING: 987200 CPU: 3123.3, 0.00319402/step Wall: 3123.3, 0.00319402/step, 3.56026 hours remaining, 238.824219 MB of memory in use. ENERGY: 987200 3959.9692 20479.0539 14478.8532 235.5683 -203263.3594 2446.6726 0.0000 0.0000 51865.6002 -109797.6419 298.0723 -161663.2422 -109437.7470 298.8402 -137.4371 -112.6124 761744.9254 -6.0006 -5.9267 PRESSURE: 987400 -515.419 99.4479 -74.4449 99.448 271.193 68.3011 -74.4449 68.3001 74.1887 GPRESSURE: 987400 -362.191 37.2398 -76.3061 84.0395 190.519 47.0671 -72.616 45.3964 80.4343 PRESSAVG: 987400 23.0839 51.5778 -20.3535 51.5779 1.57537 -10.8782 -20.3535 -10.8782 6.83384 GPRESSAVG: 987400 24.5765 51.876 -19.9226 51.3498 0.348869 -12.0365 -21.7526 -12.4412 6.76338 TIMING: 987400 CPU: 3123.94, 0.00319902/step Wall: 3123.94, 0.00319902/step, 3.56566 hours remaining, 238.824219 MB of memory in use. ENERGY: 987400 4008.6323 20404.8741 14486.1257 239.2328 -203218.5041 2501.1951 0.0000 0.0000 51992.0783 -109586.3659 298.7992 -161578.4442 -109223.6920 298.3036 -56.6791 -30.4127 761596.6525 10.4977 10.5629 PRESSURE: 987600 247.907 -39.2366 -276.649 -39.2371 12.3176 -123.122 -276.649 -123.121 -151.724 GPRESSURE: 987600 218.921 -91.86 -279.202 -66.272 159.44 -85.9672 -107.812 -77.3115 -196.646 PRESSAVG: 987600 -0.228046 -6.41698 18.1702 -6.41706 44.1113 -6.59942 18.1702 -6.59949 18.213 GPRESSAVG: 987600 -1.94581 -6.48543 19.0115 -5.39763 44.1851 -6.01143 18.3264 -6.10264 20.1619 TIMING: 987600 CPU: 3124.58, 0.00320283/step Wall: 3124.58, 0.00320283/step, 3.56973 hours remaining, 238.824219 MB of memory in use. ENERGY: 987600 4016.5371 20482.5963 14492.7182 272.3210 -203716.8453 2972.3351 0.0000 0.0000 52087.8283 -109392.5095 299.3495 -161480.3378 -109032.0563 298.9187 36.1666 60.5714 760224.2109 20.6988 20.8004 PRESSURE: 987800 166.979 125.971 -54.203 125.972 -289.593 -169.24 -54.2043 -169.241 159.206 GPRESSURE: 987800 167.633 13.7559 -33.0684 210.861 -180.35 -123.948 8.26237 -34.203 146.27 PRESSAVG: 987800 22.5219 25.0205 13.6241 25.0205 -60.0765 29.4913 13.6241 29.4913 1.0799 GPRESSAVG: 987800 23.6953 25.4077 14.5474 24.0546 -59.9081 29.9109 14.8984 26.8471 0.0381554 TIMING: 987800 CPU: 3125.23, 0.00320629/step Wall: 3125.23, 0.00320629/step, 3.57341 hours remaining, 238.824219 MB of memory in use. ENERGY: 987800 3988.3109 20364.8264 14493.2353 237.5015 -202863.1409 2278.2342 0.0000 0.0000 52068.3033 -109432.7293 299.2373 -161501.0326 -109074.2722 299.1027 12.1975 44.5176 759318.2950 -12.1582 -12.0582 PRESSURE: 988000 -49.8182 23.4812 -262.047 23.4813 -130.968 25.9956 -262.047 25.9952 -342.509 GPRESSURE: 988000 -82.8551 50.1063 -290.93 29.9657 -70.0543 63.6583 -228.35 -81.2911 -296.832 PRESSAVG: 988000 -12.1811 31.7853 38.8338 31.7853 -17.2289 2.069 38.8338 2.06895 -9.16248 GPRESSAVG: 988000 -12.1858 31.9487 37.8365 32.2338 -16.7158 3.72218 36.7541 3.78601 -9.97126 TIMING: 988000 CPU: 3125.87, 0.00321254/step Wall: 3125.87, 0.00321254/step, 3.5802 hours remaining, 238.824219 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: 988000 3968.9060 20633.5670 14532.8553 247.8322 -203546.3110 2520.7958 0.0000 0.0000 52037.4300 -109604.9247 299.0598 -161642.3547 -109246.5246 299.2347 -174.4319 -149.9137 760134.2468 -12.8575 -12.9576 PRESSURE: 988200 338.612 -36.2025 216.746 -36.202 -170.86 39.3942 216.746 39.3947 -88.6546 GPRESSURE: 988200 302.432 68.1034 128.025 80.6205 -162.523 111.91 104.147 -23.5686 4.79625 PRESSAVG: 988200 45.2816 38.6469 12.2016 38.6468 -59.7346 16.8494 12.2016 16.8493 -7.94868 GPRESSAVG: 988200 45.6788 38.3492 10.5607 40.7609 -61.0438 15.2345 14.2004 16.9476 -7.33002 TIMING: 988200 CPU: 3126.51, 0.00322001/step Wall: 3126.51, 0.00322001/step, 3.58834 hours remaining, 238.824219 MB of memory in use. ENERGY: 988200 3970.6563 20502.9971 14480.3887 240.9012 -203207.3863 2363.2551 0.0000 0.0000 52026.2271 -109622.9608 298.9954 -161649.1879 -109258.4536 298.3365 26.3658 48.2352 762073.7660 -7.4672 -7.5650 LDB: ============= START OF LOAD BALANCING ============== 3138.97 LDB: ============== END OF LOAD BALANCING =============== 3138.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3138.97 LDB: ============= START OF LOAD BALANCING ============== 3139.29 LDB: Largest compute 7032 load 0.037173 is 19.0% of average load 0.195140 LDB: Average compute 0.004389 is 2.2% of average load 0.195140 LDB: TIME 3139.3 LOAD: AVG 0.19514 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.145 MB LDB: TIME 3139.3 LOAD: AVG 0.19514 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.145 MB LDB: TIME 3139.3 LOAD: AVG 0.19514 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.145 MB LDB: ============== END OF LOAD BALANCING =============== 3139.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3139.3 PRESSURE: 988400 10.0113 -38.5623 30.0546 -38.5624 179.403 -5.7253 30.0552 -5.72545 18.8111 GPRESSURE: 988400 82.242 -53.5965 99.6881 -55.6303 156.678 -49.9784 -84.4186 -52.8199 75.0996 PRESSAVG: 988400 31.2609 16.1888 -34.193 16.1888 3.27054 26.9007 -34.193 26.9007 -7.63072 GPRESSAVG: 988400 29.7908 15.2308 -32.4818 14.7577 5.38977 28.3003 -37.1156 26.9328 -7.76013 TIMING: 988400 CPU: 3127.17, 0.00327859/step Wall: 3127.17, 0.00327859/step, 3.65345 hours remaining, 236.476562 MB of memory in use. ENERGY: 988400 3937.2056 20602.0367 14423.0131 270.1795 -203884.6935 2880.4177 0.0000 0.0000 51941.8230 -109830.0181 298.5104 -161771.8411 -109464.4152 298.4932 69.4086 104.6732 759357.5892 8.9669 9.1402 PRESSURE: 988600 -121.524 242.616 -45.7529 242.615 -49.9586 205.039 -45.7526 205.04 220.447 GPRESSURE: 988600 -145.926 174.147 -73.4646 230.586 24.5034 199.265 61.4458 126.854 270.208 PRESSAVG: 988600 24.8968 12.2994 -3.63039 12.2995 -8.06182 35.69 -3.63039 35.69 -26.9555 GPRESSAVG: 988600 25.5846 13.6733 -5.76225 12.1156 -9.43215 34.3619 -0.0421083 36.4559 -26.0424 TIMING: 988600 CPU: 3127.81, 0.00320986/step Wall: 3127.81, 0.00320986/step, 3.57668 hours remaining, 236.476562 MB of memory in use. ENERGY: 988600 4029.8211 20345.1052 14424.3381 263.0175 -203610.6900 2801.4834 0.0000 0.0000 51813.7304 -109933.1943 297.7742 -161746.9246 -109561.9487 297.7586 16.3217 49.5950 761054.5580 -3.3735 -3.2967 PRESSURE: 988800 -259.948 78.9589 47.3032 78.9596 25.5763 -72.4179 47.303 -72.419 16.6589 GPRESSURE: 988800 -110.832 -62.6856 -35.619 124.958 -86.5827 -69.7957 129.072 -72.4143 63.3583 PRESSAVG: 988800 32.4289 -2.92481 38.5264 -2.92482 7.76102 25.4541 38.5264 25.454 16.2419 GPRESSAVG: 988800 32.7246 -3.61006 39.2554 -1.4889 8.22496 25.687 39.1641 24.3713 15.5901 TIMING: 988800 CPU: 3128.45, 0.00322505/step Wall: 3128.45, 0.00322505/step, 3.59342 hours remaining, 236.476562 MB of memory in use. ENERGY: 988800 4069.4566 20434.5390 14529.5057 243.5992 -203437.9829 2595.5863 0.0000 0.0000 51812.6387 -109752.6573 297.7679 -161565.2960 -109394.0362 298.2528 -72.5710 -44.6855 761446.2049 18.8106 18.8466 PRESSURE: 989000 -84.5157 78.1313 -20.9819 78.1299 99.282 -65.0323 -20.982 -65.0327 -300.051 GPRESSURE: 989000 -62.5482 31.7049 -7.59981 -8.5199 115.344 -102.191 36.0914 37.3976 -255.956 PRESSAVG: 989000 -28.7241 -34.9974 36.9914 -34.9974 -2.70293 -14.9728 36.9914 -14.9728 3.35793 GPRESSAVG: 989000 -29.5036 -34.1139 37.5477 -36.1797 -2.79197 -16.1782 36.0417 -14.5316 3.8684 TIMING: 989000 CPU: 3129.09, 0.00319582/step Wall: 3129.09, 0.00319582/step, 3.56068 hours remaining, 236.476562 MB of memory in use. ENERGY: 989000 4023.5770 20553.9503 14551.9244 261.1654 -203916.4795 2838.5549 0.0000 0.0000 51852.2912 -109835.0161 297.9958 -161687.3074 -109479.2556 297.8905 -95.0948 -67.7200 760954.4399 -9.3564 -9.4757 PRESSURE: 989200 -358.964 56.127 62.0038 56.127 -251.171 157.992 62.0044 157.992 -43.6111 GPRESSURE: 989200 -356.961 203.897 38.3666 78.9029 -157.595 110.692 87.9615 98.5211 -60.8719 PRESSAVG: 989200 -39.958 7.03453 58.5001 7.0345 86.2094 3.78263 58.5 3.78263 9.02864 GPRESSAVG: 989200 -38.6008 7.43545 57.881 6.56871 85.4108 3.11063 59.1483 3.48891 8.08763 TIMING: 989200 CPU: 3129.73, 0.00316668/step Wall: 3129.73, 0.00316668/step, 3.52803 hours remaining, 236.476562 MB of memory in use. ENERGY: 989200 3996.9103 20340.2945 14521.9066 262.5258 -203091.6741 2286.1228 0.0000 0.0000 51901.6880 -109782.2260 298.2797 -161683.9140 -109415.9128 298.0134 -217.9153 -191.8094 761659.4266 18.4267 18.2992 PRESSURE: 989400 -202.683 -74.1243 254.566 -74.1239 -146.942 98.6145 254.565 98.6151 -136.989 GPRESSURE: 989400 -185.22 -110.552 208.131 -13.1533 -83.8466 1.28032 328.825 57.6742 -140.631 PRESSAVG: 989400 -25.33 32.6653 58.1991 32.6653 7.28469 20.1659 58.199 20.1658 -19.8541 GPRESSAVG: 989400 -26.2656 32.5841 58.7888 33.1181 7.80519 20.7179 57.5684 22.3826 -19.776 TIMING: 989400 CPU: 3130.36, 0.00318364/step Wall: 3130.36, 0.00318364/step, 3.54675 hours remaining, 236.476562 MB of memory in use. ENERGY: 989400 3972.6212 20434.3031 14499.0494 256.8133 -203414.0700 2590.0556 0.0000 0.0000 51871.2734 -109789.9540 298.1049 -161661.2275 -109424.9451 297.8346 -162.2046 -136.5657 760995.5471 -12.6331 -12.7455 PRESSURE: 989600 73.1778 70.1439 -4.76447 70.1436 388.029 -126.476 -4.76488 -126.476 -354.24 GPRESSURE: 989600 130.656 71.9152 113.904 28.7004 336.796 -130.023 -169.526 -147.487 -279.602 PRESSAVG: 989600 8.21471 -15.4648 -11.7107 -15.4649 21.4688 38.2433 -11.7108 38.2433 -1.78664 GPRESSAVG: 989600 7.99747 -15.3549 -11.9681 -14.6161 21.1767 38.482 -12.8357 37.2483 -0.631447 TIMING: 989600 CPU: 3131, 0.00315612/step Wall: 3131, 0.00315612/step, 3.51592 hours remaining, 236.476562 MB of memory in use. ENERGY: 989600 3960.1641 20309.0091 14468.5816 239.2450 -203373.8326 2914.6302 0.0000 0.0000 51769.6444 -109712.5582 297.5209 -161482.2026 -109345.9155 298.3779 35.6556 62.6168 760705.0199 9.2989 9.5142 PRESSURE: 989800 -373.598 -275.221 -52.6095 -275.221 -97.7318 -79.9462 -52.6097 -79.9463 -53.3095 GPRESSURE: 989800 -314.168 -183.773 -33.7252 -221.598 -57.0906 -45.3114 -140.118 -67.19 -60.9839 PRESSAVG: 989800 -21.1554 16.4584 28.5096 16.4584 53.317 18.8246 28.5095 18.8245 -7.11285 GPRESSAVG: 989800 -21.0436 17.6976 28.8573 16.7319 53.7575 17.353 26.3499 20.049 -7.76323 TIMING: 989800 CPU: 3131.63, 0.00317183/step Wall: 3131.63, 0.00317184/step, 3.53325 hours remaining, 236.476562 MB of memory in use. ENERGY: 989800 3948.0477 20310.5856 14492.7933 243.3723 -203674.0821 2803.8663 0.0000 0.0000 52228.8068 -109646.6101 300.1597 -161875.4169 -109274.1577 298.4838 -174.8797 -144.0807 761951.3890 8.3496 8.3169 PRESSURE: 990000 -115.769 53.8774 -167.513 53.8775 1.0787 88.2246 -167.513 88.2241 -345.566 GPRESSURE: 990000 -132.814 79.5635 -182.638 98.6814 28.4008 123.304 -59.5592 78.737 -268.913 PRESSAVG: 990000 -70.2005 19.6817 -7.83456 19.6817 82.727 -42.0374 -7.83449 -42.0373 -37.3525 GPRESSAVG: 990000 -69.5347 17.8097 -6.53067 20.1222 81.7758 -39.5713 -7.30232 -43.7482 -37.2071 TIMING: 990000 CPU: 3132.26, 0.00317544/step Wall: 3132.26, 0.00317543/step, 3.53708 hours remaining, 236.476562 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: 990000 4010.1407 20458.0957 14495.3428 258.6562 -203644.8849 2814.7644 0.0000 0.0000 52008.6630 -109599.2223 298.8945 -161607.8853 -109236.0309 298.8604 -153.4187 -124.4422 762071.2017 -8.2753 -8.3220 PRESSURE: 990200 -105.523 -53.841 266.647 -53.8414 -28.1208 19.5176 266.646 19.5169 -421.208 GPRESSURE: 990200 -112.246 -16.7795 271.018 -200.539 8.14489 85.4519 87.4161 122.212 -368.443 PRESSAVG: 990200 -1.86154 -29.2458 19.4519 -29.2458 6.63933 -6.05653 19.4519 -6.05658 -5.19366 GPRESSAVG: 990200 -3.30885 -28.549 19.8622 -29.1142 7.49045 -6.55248 19.6981 -5.17359 -5.16915 TIMING: 990200 CPU: 3132.9, 0.00319533/step Wall: 3132.9, 0.00319533/step, 3.55906 hours remaining, 236.476562 MB of memory in use. ENERGY: 990200 4021.8050 20496.6939 14509.9266 256.6781 -203266.3858 2405.1166 0.0000 0.0000 51824.3094 -109751.8562 297.8350 -161576.1655 -109390.4844 298.6126 -184.9503 -157.5148 761972.9289 -0.1386 -0.3292 PRESSURE: 990400 402.168 -147.452 -221.151 -147.451 9.68292 -224.304 -221.151 -224.303 372.693 GPRESSURE: 990400 464.521 -156.722 -212.565 -158.118 48.7874 -238.605 -216.758 -159.55 350.5 PRESSAVG: 990400 -22.7144 -31.8157 33.5041 -31.8157 4.56222 -4.24156 33.5041 -4.24157 -10.1879 GPRESSAVG: 990400 -22.1015 -30.8321 31.4338 -32.1385 3.15848 -4.63661 35.4532 -3.67913 -10.4014 TIMING: 990400 CPU: 3133.54, 0.00318917/step Wall: 3133.54, 0.00318917/step, 3.55202 hours remaining, 236.476562 MB of memory in use. ENERGY: 990400 3971.4605 20374.5410 14509.7683 246.4332 -203486.0858 2706.9757 0.0000 0.0000 51936.7907 -109740.1162 298.4815 -161676.9069 -109371.8253 298.4618 261.5149 287.9363 761908.0600 -9.4467 -9.7815 PRESSURE: 990600 -456.082 39.7709 31.1394 39.7709 -163.774 -13.2992 31.1392 -13.2995 26.5774 GPRESSURE: 990600 -349.633 40.342 56.7222 3.68765 -225.842 -160.323 26.6569 92.3634 55.071 PRESSAVG: 990600 -35.5263 -29.5302 16.3243 -29.5302 47.1314 -19.2024 16.3243 -19.2023 -18.6806 GPRESSAVG: 990600 -35.2034 -30.0872 16.2939 -29.8336 46.5842 -18.8606 15.4478 -21.6279 -18.0784 TIMING: 990600 CPU: 3134.19, 0.00322353/step Wall: 3134.19, 0.00322353/step, 3.59012 hours remaining, 236.476562 MB of memory in use. ENERGY: 990600 3883.2441 20448.6533 14575.7873 259.1785 -203311.5642 2384.4757 0.0000 0.0000 52146.4662 -109613.7591 299.6865 -161760.2253 -109258.3737 298.5120 -197.7594 -173.4679 762308.1792 -2.3585 -2.2325 PRESSURE: 990800 -186.931 64.4792 3.7261 64.4795 -11.2904 143.568 3.72637 143.569 -251.037 GPRESSURE: 990800 -139.609 85.3574 -79.1623 94.5663 -27.0017 95.2681 36.6704 155.859 -213.302 PRESSAVG: 990800 -46.0871 -32.4314 12.5445 -32.4314 27.8616 37.5356 12.5444 37.5357 8.55783 GPRESSAVG: 990800 -46.0917 -31.5253 13.1682 -33.3031 28.3632 36.8825 11.4697 37.1995 8.01757 TIMING: 990800 CPU: 3134.83, 0.00320827/step Wall: 3134.83, 0.00320827/step, 3.57294 hours remaining, 236.476562 MB of memory in use. ENERGY: 990800 4002.5565 20283.3318 14449.5447 255.8706 -203848.6921 2936.2434 0.0000 0.0000 52127.8164 -109793.3288 299.5793 -161921.1452 -109424.1499 298.4143 -149.7529 -126.6377 762337.7303 -3.2226 -3.2370 PRESSURE: 991000 -105.327 125.93 -73.4923 125.93 -222.43 -106.114 -73.492 -106.115 -242.338 GPRESSURE: 991000 -33.543 86.6518 -78.1538 63.5958 -277.662 -126.62 -50.7633 -54.8066 -171.217 PRESSAVG: 991000 2.5532 10.6627 -16.1555 10.6627 0.537455 -13.1867 -16.1554 -13.1868 4.90547 GPRESSAVG: 991000 2.97901 10.0761 -17.3484 11.5385 1.76488 -12.7831 -14.374 -13.5348 2.93354 TIMING: 991000 CPU: 3135.47, 0.00318987/step Wall: 3135.47, 0.00318987/step, 3.55227 hours remaining, 236.476562 MB of memory in use. ENERGY: 991000 3954.0979 20463.5153 14542.6521 256.3047 -203190.6324 2245.5036 0.0000 0.0000 51732.8120 -109995.7467 297.3092 -161728.5588 -109636.0802 297.9716 -190.0317 -160.8076 761614.0905 2.6654 2.5591 PRESSURE: 991200 -132.832 -135.711 -247.004 -135.711 -1.52361 209.416 -247.004 209.417 -46.2518 GPRESSURE: 991200 -91.6423 -113.854 -256.147 48.5649 38.3507 172.466 -202.79 216.628 -55.9886 PRESSAVG: 991200 -37.4865 10.3172 -32.5329 10.3172 42.9978 22.6817 -32.5329 22.6817 -6.25847 GPRESSAVG: 991200 -38.6713 9.09593 -32.6399 10.0341 42.6284 22.3265 -32.1514 24.8285 -4.94116 TIMING: 991200 CPU: 3136.1, 0.00317487/step Wall: 3136.1, 0.00317487/step, 3.53539 hours remaining, 236.476562 MB of memory in use. ENERGY: 991200 3903.3788 20537.5381 14521.9217 250.6938 -203717.9847 2540.0740 0.0000 0.0000 51860.8613 -110103.5169 298.0451 -161964.3782 -109739.2348 297.8189 -60.2024 -36.4267 760298.2596 -0.2490 -0.3280 PRESSURE: 991400 -91.3468 102.478 47.5591 102.479 -377.415 234.302 47.5597 234.303 -100.935 GPRESSURE: 991400 -57.7712 105.983 -25.2602 116.869 -337.965 323.346 38.3364 279.208 -69.7139 PRESSAVG: 991400 21.4235 -13.0971 -10.1914 -13.0971 -21.7127 44.2981 -10.1914 44.2981 -22.9285 GPRESSAVG: 991400 21.6655 -12.731 -8.45586 -11.5104 -22.4016 44.775 -14.2007 42.9713 -22.2655 TIMING: 991400 CPU: 3136.74, 0.00317631/step Wall: 3136.74, 0.00317631/step, 3.53682 hours remaining, 236.476562 MB of memory in use. ENERGY: 991400 3968.3058 20614.3215 14491.6055 242.9430 -203469.9721 2509.9195 0.0000 0.0000 51846.8675 -109796.0094 297.9647 -161642.8769 -109437.5444 298.2727 -189.8990 -155.1499 760206.7645 -7.7392 -7.6672 PRESSURE: 991600 -5.07092 232.13 -43.2217 232.13 -229.853 -8.94775 -43.222 -8.94707 155.091 GPRESSURE: 991600 40.2115 116.145 19.0707 78.0976 -164.72 73.3815 32.2888 -77.6733 138.968 PRESSAVG: 991600 25.5946 -15.3451 21.726 -15.3451 62.9137 7.26874 21.726 7.26876 -2.02079 GPRESSAVG: 991600 25.3268 -14.5145 22.6475 -16.096 62.5111 7.00177 23.1781 7.15273 -1.63301 TIMING: 991600 CPU: 3137.37, 0.00318193/step Wall: 3137.37, 0.00318193/step, 3.5429 hours remaining, 236.476562 MB of memory in use. ENERGY: 991600 3998.5367 20434.8695 14582.1607 236.5169 -203664.9638 2696.6242 0.0000 0.0000 51812.2545 -109904.0013 297.7657 -161716.2558 -109535.5499 298.0990 -26.6109 4.8199 759841.6646 28.8292 28.7350 PRESSURE: 991800 -343.829 -194.657 69.3641 -194.658 103.203 -1.66935 69.3651 -1.66999 -63.4492 GPRESSURE: 991800 -288.635 -209.926 37.65 -174.55 106.772 -18.804 -48.4705 11.7728 -30.9558 PRESSAVG: 991800 -39.9512 -22.0552 19.463 -22.0552 47.5322 -20.0549 19.4629 -20.0549 17.3874 GPRESSAVG: 991800 -39.5924 -22.5957 16.6199 -21.7227 48.2136 -18.7512 19.2651 -19.5573 16.4286 TIMING: 991800 CPU: 3138.01, 0.00318318/step Wall: 3138.01, 0.00318318/step, 3.54411 hours remaining, 236.476562 MB of memory in use. ENERGY: 991800 3946.7294 20500.5562 14585.0488 259.2813 -203578.3506 2599.4058 0.0000 0.0000 51755.6502 -109931.6788 297.4404 -161687.3290 -109581.0854 298.1306 -101.3583 -70.9396 759804.7630 8.3228 8.3499 PRESSURE: 992000 -269.116 170.329 83.6859 170.33 -112.943 -10.2329 83.6867 -10.2315 -121.18 GPRESSURE: 992000 -245.777 105.566 46.6756 195.129 15.7513 -27.7861 198.671 -57.4446 -165.509 PRESSAVG: 992000 -78.5688 -17.7539 46.0513 -17.7538 106.515 23.0236 46.0513 23.0236 -11.5217 GPRESSAVG: 992000 -78.5183 -18.1719 45.7692 -16.7871 107.523 22.2497 46.7298 23.3458 -12.5508 TIMING: 992000 CPU: 3138.65, 0.00318451/step Wall: 3138.65, 0.00318451/step, 3.54543 hours remaining, 236.476562 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: 992000 4064.5733 20503.8252 14490.1759 253.4522 -203745.5730 2509.3806 0.0000 0.0000 52044.6665 -109879.4993 299.1014 -161924.1658 -109524.9895 298.5655 -167.7463 -131.8450 760137.2304 5.4747 5.4845 PRESSURE: 992200 420.512 6.33551 -153.629 6.33539 -94.7891 173.996 -153.63 173.997 186.155 GPRESSURE: 992200 398.759 60.111 -158.494 14.7724 -7.44444 130.479 -199.262 174.271 213.597 PRESSAVG: 992200 27.0205 -11.3245 -31.3323 -11.3245 5.74455 39.336 -31.3323 39.336 0.0912909 GPRESSAVG: 992200 27.6731 -11.2311 -30.431 -10.7653 4.07725 39.4817 -31.9451 37.3933 1.17552 TIMING: 992200 CPU: 3139.29, 0.00320809/step Wall: 3139.29, 0.00320809/step, 3.5715 hours remaining, 236.476562 MB of memory in use. ENERGY: 992200 3987.3236 20403.2675 14446.6883 264.3492 -203391.5318 2490.0686 0.0000 0.0000 52053.3937 -109746.4410 299.1516 -161799.8347 -109390.0228 298.7821 170.6258 201.6371 760007.9078 10.9521 10.9753 LDB: ============= START OF LOAD BALANCING ============== 3151.74 LDB: ============== END OF LOAD BALANCING =============== 3151.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3151.74 LDB: ============= START OF LOAD BALANCING ============== 3152.06 LDB: Largest compute 7032 load 0.039823 is 20.4% of average load 0.195022 LDB: Average compute 0.004411 is 2.3% of average load 0.195022 LDB: TIME 3152.07 LOAD: AVG 0.195022 MAX 0.216123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.246 MB LDB: TIME 3152.07 LOAD: AVG 0.195022 MAX 0.216123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: TIME 3152.07 LOAD: AVG 0.195022 MAX 0.216123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: ============== END OF LOAD BALANCING =============== 3152.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3152.07 PRESSURE: 992400 179.816 109.023 173.809 109.024 92.2682 -156.123 173.81 -156.123 41.7145 GPRESSURE: 992400 203.204 90.772 174.635 145.121 141.138 -69.2487 127.224 -52.5768 54.1276 PRESSAVG: 992400 34.6576 -6.50433 -62.1119 -6.50428 -22.601 21.1713 -62.1119 21.1714 21.4643 GPRESSAVG: 992400 33.8968 -7.09959 -62.5659 -7.73205 -21.62 22.2618 -62.0353 22.3093 21.3721 TIMING: 992400 CPU: 3139.94, 0.00324425/step Wall: 3139.94, 0.00324425/step, 3.61157 hours remaining, 237.554688 MB of memory in use. ENERGY: 992400 4023.8155 20587.0538 14486.2182 271.0714 -203705.9273 2788.5978 0.0000 0.0000 51842.3577 -109706.8129 297.9387 -161549.1707 -109347.7923 298.5103 104.5997 132.8232 760223.7923 11.1736 11.2163 PRESSURE: 992600 -134.797 62.2614 26.4829 62.2621 -121.554 91.1785 26.4828 91.1776 -11.7504 GPRESSURE: 992600 -115.44 7.1004 125.109 20.3332 -112.104 158.204 104.218 125.738 45.9795 PRESSAVG: 992600 31.1775 -53.0335 5.81966 -53.0335 -52.4892 37.2613 5.81969 37.2614 -8.43419 GPRESSAVG: 992600 31.6777 -52.7419 6.78983 -51.3373 -52.9076 36.7376 6.49388 38.2988 -9.01858 TIMING: 992600 CPU: 3140.57, 0.00318163/step Wall: 3140.57, 0.00318163/step, 3.54168 hours remaining, 237.757812 MB of memory in use. ENERGY: 992600 3900.3490 20556.7253 14448.9431 247.3076 -202861.4155 2244.1395 0.0000 0.0000 51735.2790 -109728.6721 297.3234 -161463.9511 -109377.3550 298.0819 -89.3674 -60.5215 763285.2717 -9.9153 -10.0828 PRESSURE: 992800 -206.45 -66.1247 -13.4344 -66.1249 -62.7639 112.057 -13.4336 112.059 -488.703 GPRESSURE: 992800 -140.115 -60.85 -69.0163 -15.1221 -48.7459 136.45 95.2914 57.4287 -470.22 PRESSAVG: 992800 7.93306 12.5004 56.9813 12.5003 57.685 55.5977 56.9813 55.5977 7.13037 GPRESSAVG: 992800 8.16213 12.4612 56.083 10.5804 56.9006 55.9438 57.5449 54.964 7.10775 TIMING: 992800 CPU: 3141.21, 0.00317771/step Wall: 3141.21, 0.00317771/step, 3.53714 hours remaining, 237.851562 MB of memory in use. ENERGY: 992800 3986.2085 20356.7390 14461.7561 258.0965 -203423.3030 2666.3279 0.0000 0.0000 52051.4941 -109642.6809 299.1407 -161694.1750 -109280.6243 298.4076 -252.6390 -219.6936 760732.9693 24.2495 24.0568 PRESSURE: 993000 128.903 89.8855 -17.1282 89.8857 -125.032 -29.9406 -17.1277 -29.9421 215.984 GPRESSURE: 993000 52.0851 255.389 -3.00318 -29.3448 -40.6619 -76.5494 -74.587 -1.4989 290.554 PRESSAVG: 993000 13.7213 -6.28595 11.905 -6.28594 -3.53728 18.2301 11.905 18.2301 17.4788 GPRESSAVG: 993000 12.4624 -4.8516 12.1121 -6.50668 -3.50156 18.4657 11.2823 18.5289 18.6995 TIMING: 993000 CPU: 3141.85, 0.00320907/step Wall: 3141.85, 0.00320907/step, 3.57187 hours remaining, 237.851562 MB of memory in use. ENERGY: 993000 3974.7671 20364.8102 14516.5586 255.0414 -203257.8437 2641.5796 0.0000 0.0000 52002.1151 -109502.9716 298.8569 -161505.0867 -109141.0067 298.6391 73.2850 100.6589 762702.5018 9.2209 9.2201 PRESSURE: 993200 -247.634 52.0108 182.697 52.0113 189.437 -19.0488 182.698 -19.0482 49.1995 GPRESSURE: 993200 -151.475 66.3343 162.516 38.0099 196.494 81.541 194.673 -109.119 5.21999 PRESSAVG: 993200 -33.7638 -27.983 -39.6079 -27.983 40.4403 25.8839 -39.6079 25.884 0.88405 GPRESSAVG: 993200 -33.4399 -28.5643 -40.3456 -28.5077 40.2781 25.3784 -41.3335 26.3597 0.665136 TIMING: 993200 CPU: 3142.49, 0.00319636/step Wall: 3142.49, 0.00319636/step, 3.55754 hours remaining, 237.882812 MB of memory in use. ENERGY: 993200 3983.8262 20409.0204 14492.3392 259.1151 -203284.0362 2707.4937 0.0000 0.0000 51947.3672 -109484.8744 298.5422 -161432.2416 -109133.9007 298.6863 -2.9993 16.7461 762129.1785 2.5202 2.5011 PRESSURE: 993400 147.174 -181.336 -23.0305 -181.337 -23.7823 79.0375 -23.0306 79.0365 -25.0319 GPRESSURE: 993400 251.521 -90.3433 -111.935 -168.797 -32.7165 36.6577 -142.007 -2.04669 -40.2711 PRESSAVG: 993400 21.3014 4.52442 -60.5446 4.52438 4.42989 -19.7337 -60.5447 -19.7337 4.82445 GPRESSAVG: 993400 22.7389 3.89057 -59.8558 7.365 4.9075 -22.3328 -59.5497 -20.4758 3.14013 TIMING: 993400 CPU: 3143.13, 0.00317964/step Wall: 3143.13, 0.00317964/step, 3.53876 hours remaining, 237.882812 MB of memory in use. ENERGY: 993400 4002.9592 20471.1471 14487.0917 244.5995 -203275.1155 2622.0782 0.0000 0.0000 51923.6312 -109523.6085 298.4058 -161447.2397 -109161.5767 298.5279 32.7867 59.5111 761084.0937 10.1852 10.2622 PRESSURE: 993600 157.38 50.0087 213.014 50.0088 274.145 242.372 213.014 242.371 182.917 GPRESSURE: 993600 149.309 26.0865 158.011 49.8689 310.327 191.052 269.191 238.15 237.879 PRESSAVG: 993600 20.865 -16.9354 6.44939 -16.9354 -24.7375 24.8648 6.44941 24.8647 24.1641 GPRESSAVG: 993600 18.5939 -15.5281 5.87119 -18.1809 -24.2427 27.7228 7.66142 23.7534 25.8903 TIMING: 993600 CPU: 3143.76, 0.00317767/step Wall: 3143.76, 0.00317767/step, 3.5364 hours remaining, 237.882812 MB of memory in use. ENERGY: 993600 3963.3822 20321.3740 14504.8134 256.3452 -203280.8248 2626.7837 0.0000 0.0000 51950.6115 -109657.5149 298.5609 -161608.1264 -109296.0797 298.2921 204.8138 232.5048 760279.8134 6.7639 6.7472 PRESSURE: 993800 -187.339 95.929 71.4534 95.9285 34.567 -131.84 71.4538 -131.84 14.8615 GPRESSURE: 993800 -83.3323 25.2719 90.2037 36.4867 -92.0463 -97.635 63.6688 -54.164 124.874 PRESSAVG: 993800 15.7783 18.6487 20.785 18.6487 25.2877 2.49952 20.785 2.49964 4.68755 GPRESSAVG: 993800 16.593 17.7871 19.8711 16.8931 24.9211 1.84391 18.0153 5.17882 3.9772 TIMING: 993800 CPU: 3144.4, 0.00319556/step Wall: 3144.4, 0.00319556/step, 3.55612 hours remaining, 237.882812 MB of memory in use. ENERGY: 993800 3917.4701 20629.1785 14547.2895 263.1416 -202962.0220 2215.3133 0.0000 0.0000 51850.0799 -109539.5491 297.9831 -161389.6291 -109186.6760 298.8383 -45.9701 -16.8349 760927.3126 15.2512 15.1638 PRESSURE: 994000 -254.551 25.0613 63.3498 25.0612 -174.567 -101.798 63.3496 -101.796 80.3944 GPRESSURE: 994000 -239.696 102.662 0.422144 -6.67094 -147.851 -55.2089 121.361 -36.9388 100.051 PRESSAVG: 994000 -22.3873 3.43917 -37.2022 3.43915 8.06443 13.5036 -37.2023 13.5036 -10.6586 GPRESSAVG: 994000 -23.0685 4.94513 -36.8175 3.58239 7.97688 14.3445 -36.1225 11.3355 -10.2906 TIMING: 994000 CPU: 3145.04, 0.00319339/step Wall: 3145.04, 0.00319339/step, 3.55353 hours remaining, 237.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 994000 4016.6802 20331.1879 14479.8850 234.2724 -203297.3416 2406.9891 0.0000 0.0000 52146.2635 -109682.0634 299.6853 -161828.3269 -109306.1666 298.5572 -116.2414 -95.8318 762564.1974 -8.3272 -8.4607 PRESSURE: 994200 259.484 -49.2664 -163.641 -49.2651 249.537 -61.7071 -163.642 -61.7062 -119.631 GPRESSURE: 994200 311.166 -77.7525 -169.298 -41.3839 172.234 -74.0336 -68.933 18.4301 -30.058 PRESSAVG: 994200 -10.1996 10.8242 -2.00105 10.8242 -14.734 -12.3717 -2.00093 -12.3718 12.4803 GPRESSAVG: 994200 -9.5908 9.75312 -1.33398 10.7487 -15.0556 -12.2365 -2.91879 -10.8833 11.9759 TIMING: 994200 CPU: 3145.68, 0.0031933/step Wall: 3145.68, 0.0031933/step, 3.55325 hours remaining, 237.882812 MB of memory in use. ENERGY: 994200 4007.1599 20350.9858 14527.3720 246.8419 -204052.3115 3265.6767 0.0000 0.0000 52001.2920 -109652.9833 298.8521 -161654.2753 -109299.5739 299.2581 129.7967 151.1140 760061.5375 -4.1511 -4.2235 PRESSURE: 994400 -239.961 -114.912 -257.85 -114.912 -407.588 245.377 -257.851 245.378 -153.326 GPRESSURE: 994400 -217.992 -164.643 -211.601 -115.091 -406.32 246.647 -284.129 123.67 -97.8412 PRESSAVG: 994400 39 37.8422 2.2097 37.8422 -11.0248 -6.27076 2.20973 -6.27076 -8.27334 GPRESSAVG: 994400 37.8452 38.9 5.03135 38.2043 -10.772 -6.10722 2.45526 -7.8194 -7.10768 TIMING: 994400 CPU: 3146.31, 0.00317396/step Wall: 3146.31, 0.00317396/step, 3.53156 hours remaining, 237.882812 MB of memory in use. ENERGY: 994400 4055.2616 20423.4821 14459.5494 248.8437 -203368.2436 2462.5182 0.0000 0.0000 52083.2249 -109635.3639 299.3230 -161718.5888 -109272.0084 298.2447 -266.9583 -240.7180 762368.3873 6.5673 6.6552 PRESSURE: 994600 -21.4521 26.056 84.7448 26.0542 459.857 -215.669 84.7437 -215.669 291.789 GPRESSURE: 994600 123.085 106.845 149.652 -30.285 414.184 -156.959 140.742 -150.689 268.746 PRESSAVG: 994600 17.1706 16.9566 1.13959 16.9566 -1.29229 29.7401 1.13952 29.7401 5.80867 GPRESSAVG: 994600 17.5926 17.108 -0.609684 15.3895 0.137259 29.1453 1.96326 27.4868 3.76561 TIMING: 994600 CPU: 3146.95, 0.00316885/step Wall: 3146.95, 0.00316885/step, 3.52569 hours remaining, 237.882812 MB of memory in use. ENERGY: 994600 4034.0683 20516.8644 14512.0907 242.6770 -203599.3397 2696.4944 0.0000 0.0000 52100.7665 -109496.3784 299.4238 -161597.1448 -109137.4357 298.8383 243.3981 268.6718 761039.4726 7.2290 7.1651 PRESSURE: 994800 132.034 -115.854 69.2267 -115.855 -368.707 -46.8946 69.2271 -46.8949 9.18804 GPRESSURE: 994800 165.881 -55.413 20.9189 -186.844 -334.601 -4.28979 1.55639 134.79 13.1538 PRESSAVG: 994800 48.9557 -9.71442 49.5457 -9.7144 -48.3421 18.2809 49.5456 18.2809 -4.46981 GPRESSAVG: 994800 49.2916 -9.9054 48.6713 -7.97914 -50.5271 18.4075 48.8099 21.5056 -2.84394 TIMING: 994800 CPU: 3147.58, 0.00314904/step Wall: 3147.58, 0.00314904/step, 3.50349 hours remaining, 237.882812 MB of memory in use. ENERGY: 994800 3950.7877 20562.9285 14494.4064 243.3156 -203545.0308 2732.9992 0.0000 0.0000 51856.8992 -109703.6941 298.0223 -161560.5934 -109334.6330 299.0318 -75.8285 -51.8555 763697.4672 -1.2854 -1.3598 PRESSURE: 995000 -66.5118 -92.0233 -83.8746 -92.0238 -494.121 -3.47182 -83.8748 -3.47063 -143.048 GPRESSURE: 995000 -158.587 -77.6752 -162.946 -24.5613 -311.829 -14.4888 -1.24665 -14.4658 -163.856 PRESSAVG: 995000 82.6396 33.4994 -44.8078 33.4994 -72.159 -3.06621 -44.8077 -3.0662 2.68946 GPRESSAVG: 995000 82.0542 32.7948 -43.6769 32.4529 -70.215 -2.4475 -44.082 -3.40687 2.03808 TIMING: 995000 CPU: 3148.21, 0.00315875/step Wall: 3148.21, 0.00315875/step, 3.51411 hours remaining, 237.882812 MB of memory in use. ENERGY: 995000 4014.8111 20627.4006 14467.9485 227.7532 -203061.9336 2199.8482 0.0000 0.0000 51977.7391 -109546.4328 298.7168 -161524.1719 -109173.1443 298.4327 -234.5602 -211.4244 762651.6278 4.3900 4.6257 PRESSURE: 995200 71.5469 56.2373 106.206 56.237 -184.208 -113.319 106.206 -113.321 453.243 GPRESSURE: 995200 136.786 122.301 98.4922 44.7941 -157.931 -98.4072 -3.78677 -179.141 425.543 PRESSAVG: 995200 57.8503 40.5099 -16.8856 40.5099 -81.7167 -13.392 -16.8857 -13.392 30.555 GPRESSAVG: 995200 58.7724 41.4401 -18.3758 40.5673 -82.4852 -13.9975 -16.0233 -14.8442 30.6664 TIMING: 995200 CPU: 3148.84, 0.00318026/step Wall: 3148.84, 0.00318026/step, 3.53786 hours remaining, 237.882812 MB of memory in use. ENERGY: 995200 3960.8333 20551.9145 14530.6817 257.2428 -203506.8278 2641.4035 0.0000 0.0000 52177.7530 -109386.9989 299.8663 -161564.7519 -109021.0764 299.2208 113.5271 134.7992 760472.8184 2.2295 2.3179 PRESSURE: 995400 -152.187 -53.4465 -149.746 -53.4451 58.6224 31.7823 -149.747 31.782 91.1926 GPRESSURE: 995400 -97.2882 19.3926 -182.617 -25.6604 20.8167 16.3392 -76.4317 117.425 154.682 PRESSAVG: 995400 62.9509 82.8424 -13.6921 82.8424 -29.3836 17.142 -13.6921 17.142 2.8532 GPRESSAVG: 995400 62.9937 81.732 -12.8064 84.2933 -29.7841 15.3157 -15.1053 18.282 3.12324 TIMING: 995400 CPU: 3149.48, 0.00319297/step Wall: 3149.48, 0.00319297/step, 3.55182 hours remaining, 237.882812 MB of memory in use. ENERGY: 995400 4017.0837 20539.6265 14538.4265 248.0533 -203767.1986 2766.5529 0.0000 0.0000 52024.2365 -109633.2191 298.9840 -161657.4556 -109276.5522 299.3274 -0.7906 26.0703 761809.7418 12.1402 12.1109 PRESSURE: 995600 -285.045 98.8145 -138.728 98.8135 -117.211 122.255 -138.728 122.255 -279.525 GPRESSURE: 995600 -295.641 74.9726 -29.9913 20.7688 -108.592 152.124 -229.059 102.611 -197.659 PRESSAVG: 995600 0.288549 24.8437 -10.0571 24.8437 -9.08569 -14.842 -10.0571 -14.842 1.81219 GPRESSAVG: 995600 0.281474 24.7163 -10.5751 23.6724 -9.28139 -12.6693 -9.16059 -15.27 1.16133 TIMING: 995600 CPU: 3150.12, 0.00319653/step Wall: 3150.12, 0.00319653/step, 3.55561 hours remaining, 237.882812 MB of memory in use. ENERGY: 995600 4039.8342 20477.3192 14507.4948 255.4499 -203326.2706 2569.9605 0.0000 0.0000 51828.1768 -109648.0352 297.8572 -161476.2120 -109299.5102 298.8769 -227.2602 -200.6306 762035.3310 -2.3283 -2.6129 PRESSURE: 995800 -72.6562 -4.83224 -187.127 -4.8326 -225.899 -155.194 -187.127 -155.194 -146.628 GPRESSURE: 995800 -21.4046 16.9809 -141.243 -46.0234 -197.44 -201.234 -227.521 -80.6842 -133.87 PRESSAVG: 995800 33.4947 37.8582 -47.8974 37.8582 -16.0919 1.73444 -47.8973 1.73433 -13.6329 GPRESSAVG: 995800 31.4276 38.8139 -49.3812 37.9745 -14.4431 0.784826 -48.7029 2.63707 -12.8766 TIMING: 995800 CPU: 3150.76, 0.00317707/step Wall: 3150.76, 0.00317707/step, 3.53378 hours remaining, 237.882812 MB of memory in use. ENERGY: 995800 3993.4917 20434.0817 14556.1265 246.2092 -203547.9760 2593.1995 0.0000 0.0000 52288.2830 -109436.5845 300.5015 -161724.8675 -109066.5985 299.1410 -148.3943 -117.5715 761907.6190 1.2566 1.3693 PRESSURE: 996000 265.798 -27.6118 53.0913 -27.6121 -89.5718 -61.6678 53.0914 -61.668 -155.335 GPRESSURE: 996000 374.224 -72.138 71.1155 38.6303 -80.5648 -145.519 62.5327 19.3933 -162.913 PRESSAVG: 996000 60.9899 -16.1941 8.18036 -16.1941 -18.3398 -28.6228 8.18042 -28.6228 3.22086 GPRESSAVG: 996000 61.7532 -15.5298 10.4295 -15.271 -19.4447 -31.5304 7.16603 -28.8147 3.87412 TIMING: 996000 CPU: 3151.39, 0.0031881/step Wall: 3151.39, 0.0031881/step, 3.54588 hours remaining, 237.882812 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: 996000 4015.4174 20623.3229 14536.0770 267.2098 -203353.2108 2832.9583 0.0000 0.0000 51967.4274 -109110.7980 298.6575 -161078.2254 -108752.0875 299.5037 6.9639 43.5822 762891.2241 15.2903 15.3942 PRESSURE: 996200 -0.694301 24.5897 31.2941 24.5895 187.585 195.204 31.294 195.204 -118.51 GPRESSURE: 996200 -11.0548 33.2117 12.1041 36.5824 251.136 229.441 46.0308 -31.528 -99.5187 PRESSAVG: 996200 -20.9501 -5.12375 -23.4279 -5.12369 12.3319 6.08978 -23.4279 6.08983 -26.1133 GPRESSAVG: 996200 -19.9845 -6.76702 -24.5286 -3.43765 12.0695 9.10852 -22.9024 4.40364 -26.1132 TIMING: 996200 CPU: 3152.03, 0.00317833/step Wall: 3152.03, 0.00317833/step, 3.53483 hours remaining, 237.871094 MB of memory in use. ENERGY: 996200 4035.4508 20615.4884 14539.6856 248.1393 -203113.3267 2414.3447 0.0000 0.0000 52034.8939 -109225.3241 299.0453 -161260.2179 -108854.0750 299.7779 22.7934 46.8540 762650.3356 -11.5772 -11.3427 LDB: ============= START OF LOAD BALANCING ============== 3164.48 LDB: ============== END OF LOAD BALANCING =============== 3164.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3164.48 LDB: ============= START OF LOAD BALANCING ============== 3164.8 LDB: Largest compute 7032 load 0.035972 is 18.4% of average load 0.195077 LDB: Average compute 0.004403 is 2.3% of average load 0.195077 LDB: TIME 3164.8 LOAD: AVG 0.195077 MAX 0.21442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.309 MB LDB: TIME 3164.8 LOAD: AVG 0.195077 MAX 0.21442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.309 MB LDB: TIME 3164.8 LOAD: AVG 0.195077 MAX 0.21442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.309 MB LDB: ============== END OF LOAD BALANCING =============== 3164.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3164.81 PRESSURE: 996400 -180.402 103.737 -22.8236 103.737 -42.8618 -120.739 -22.8236 -120.739 162.534 GPRESSURE: 996400 -140.757 185.444 -117.328 141.183 -30.9051 -53.0464 -121.15 -249.673 180.069 PRESSAVG: 996400 -10.0365 -66.3293 16.0882 -66.3292 42.443 -16.1671 16.0883 -16.1671 24.2402 GPRESSAVG: 996400 -10.9162 -64.0048 16.4103 -67.3805 42.957 -17.4944 15.7882 -15.952 24.901 TIMING: 996400 CPU: 3152.67, 0.00320602/step Wall: 3152.67, 0.00320602/step, 3.56545 hours remaining, 238.031250 MB of memory in use. ENERGY: 996400 3970.6166 20642.9216 14542.1715 235.6183 -203288.0545 2619.4331 0.0000 0.0000 51926.5872 -109350.7063 298.4228 -161277.2934 -108981.4018 299.4275 -20.2431 2.8023 760941.9029 18.8822 18.9806 PRESSURE: 996600 -120.746 -169.982 81.5493 -169.982 -28.9655 -11.9119 81.5495 -11.9105 210.072 GPRESSURE: 996600 -143.505 -342.825 118.907 -142.196 91.427 -91.4483 9.04725 -93.3298 195.242 PRESSAVG: 996600 -8.64731 -44.0548 -11.1443 -44.0549 15.3252 -29.3201 -11.1444 -29.3201 -7.75761 GPRESSAVG: 996600 -7.6403 -46.2311 -10.6284 -44.3503 15.8156 -28.446 -9.51138 -27.4339 -8.89314 TIMING: 996600 CPU: 3153.3, 0.00314258/step Wall: 3153.3, 0.00314258/step, 3.49472 hours remaining, 238.031250 MB of memory in use. ENERGY: 996600 3946.7843 20411.9023 14460.6458 265.4012 -203011.8226 2396.5799 0.0000 0.0000 51967.4091 -109563.0999 298.6574 -161530.5090 -109194.0255 299.1698 20.1203 47.7215 762288.6963 -0.3599 -0.2393 PRESSURE: 996800 -284.377 -180.323 5.26372 -180.323 -114.443 -142.47 5.26418 -142.47 289.812 GPRESSURE: 996800 -203.86 -165.142 36.7075 -127.904 -125.115 -242.756 12.1201 -45.8299 302.647 PRESSAVG: 996800 33.0297 -72.6797 22.0056 -72.6798 -45.2646 -41.8808 22.0056 -41.8807 -14.3197 GPRESSAVG: 996800 33.3356 -72.4376 21.2632 -72.7869 -45.6785 -43.8219 20.5303 -42.0834 -14.2332 TIMING: 996800 CPU: 3153.93, 0.00315446/step Wall: 3153.93, 0.00315446/step, 3.50776 hours remaining, 238.031250 MB of memory in use. ENERGY: 996800 3998.7746 20623.9598 14539.3310 240.4851 -202938.2835 2400.1235 0.0000 0.0000 51938.8486 -109196.7609 298.4933 -161135.6095 -108844.2579 298.9775 -36.3361 -8.7760 762731.8946 -8.8515 -8.8587 PRESSURE: 997000 258.459 -153.881 336.612 -153.882 -111.756 -84.1966 336.612 -84.1969 69.0531 GPRESSURE: 997000 263.348 -210.832 313.292 -179.972 -13.7329 -83.5864 284.422 -40.6598 52.8563 PRESSAVG: 997000 -16.0523 -38.1636 48.3972 -38.1636 80.3048 51.6508 48.3973 51.6509 -11.1222 GPRESSAVG: 997000 -15.1254 -37.029 51.3986 -38.0329 78.7556 53.5612 49.1552 52.0356 -10.5692 TIMING: 997000 CPU: 3154.57, 0.0031726/step Wall: 3154.57, 0.0031726/step, 3.52775 hours remaining, 238.031250 MB of memory in use. ENERGY: 997000 4041.3315 20520.0140 14485.1598 247.6455 -202919.6395 2398.7402 0.0000 0.0000 52119.4508 -109107.2977 299.5312 -161226.7486 -108741.0329 299.4068 71.9185 100.8238 762403.6691 17.7101 17.6870 PRESSURE: 997200 27.8958 -145.05 -119.825 -145.05 -164.909 200.414 -119.824 200.415 101.426 GPRESSURE: 997200 20.924 -108.341 -67.2357 -137.978 -128.059 234.035 -209.154 -11.6787 162.761 PRESSAVG: 997200 16.9267 -34.2749 -4.13609 -34.2749 36.1267 -13.0537 -4.13604 -13.0536 -5.35382 GPRESSAVG: 997200 14.4679 -34.7764 -5.07375 -33.4232 38.0223 -12.5311 -3.92553 -15.1207 -5.44146 TIMING: 997200 CPU: 3155.2, 0.00317553/step Wall: 3155.2, 0.00317553/step, 3.53084 hours remaining, 238.031250 MB of memory in use. ENERGY: 997200 3966.9441 20588.3846 14496.3271 256.5746 -203366.3845 2548.2666 0.0000 0.0000 52417.7388 -109092.1485 301.2455 -161509.8873 -108726.4257 300.3238 -11.8625 18.5422 762770.5979 15.8998 15.6829 PRESSURE: 997400 231.006 118.681 -228.769 118.681 -89.2722 -118.108 -228.769 -118.107 -21.4248 GPRESSURE: 997400 212.599 101.979 -284.755 25.3645 -11.685 -47.364 -79.1911 27.773 -18.7163 PRESSAVG: 997400 31.2994 -48.3208 -103.299 -48.3209 -24.012 -9.92163 -103.299 -9.9217 -19.5824 GPRESSAVG: 997400 32.3545 -46.9923 -106.368 -50.917 -24.8484 -11.1235 -101.709 -9.57109 -20.4841 TIMING: 997400 CPU: 3155.83, 0.00316568/step Wall: 3155.83, 0.00316568/step, 3.51971 hours remaining, 238.031250 MB of memory in use. ENERGY: 997400 4053.7467 20568.1666 14462.4064 247.2515 -203351.1451 2659.8993 0.0000 0.0000 52271.3482 -109088.3264 300.4042 -161359.6747 -108724.8623 300.0278 40.1032 60.7325 762031.9673 -4.0983 -4.3260 PRESSURE: 997600 203.704 22.4616 38.5198 22.4631 52.7763 -211.397 38.5204 -211.396 -198.386 GPRESSURE: 997600 275.288 55.2676 -16.5568 42.1605 50.1109 -256.462 11.5482 -182.194 -179.211 PRESSAVG: 997600 16.2132 -36.504 -9.14748 -36.5039 28.7036 24.6651 -9.14747 24.6652 -12.1947 GPRESSAVG: 997600 15.5216 -39.5473 -7.03674 -35.3417 28.9872 25.4759 -12.2959 24.4892 -11.3681 TIMING: 997600 CPU: 3156.46, 0.00314584/step Wall: 3156.46, 0.00314584/step, 3.49748 hours remaining, 238.031250 MB of memory in use. ENERGY: 997600 4053.8219 20548.1259 14529.5790 257.2530 -203143.6454 2539.1699 0.0000 0.0000 52041.5961 -109174.0996 299.0838 -161215.6957 -108815.2345 299.7088 19.3648 48.7290 763689.0440 10.9074 11.0469 PRESSURE: 997800 -124.652 -70.1589 -69.0006 -70.1596 -526.361 165.738 -69.0009 165.738 -7.78679 GPRESSURE: 997800 -83.2706 27.1897 -40.3615 13.0694 -403.89 123.058 -42.4741 205.172 -79.6102 PRESSAVG: 997800 -1.93284 -30.9211 -15.5876 -30.9211 -9.1379 25.6268 -15.5876 25.6269 -6.92993 GPRESSAVG: 997800 -0.485322 -28.281 -15.1856 -30.0228 -9.10782 25.4524 -13.1387 25.214 -8.01403 TIMING: 997800 CPU: 3157.09, 0.00315379/step Wall: 3157.09, 0.0031538/step, 3.50614 hours remaining, 238.031250 MB of memory in use. ENERGY: 997800 3952.8960 20679.6829 14455.0942 232.6413 -202852.4672 2247.9302 0.0000 0.0000 51971.4501 -109312.7724 298.6806 -161284.2225 -108949.4413 299.7768 -219.6000 -188.9235 762834.8785 -6.0002 -5.8691 PRESSURE: 998000 121.94 168.881 -36.0441 168.879 -52.9983 35.2073 -36.044 35.2078 -119.543 GPRESSURE: 998000 184.52 122.901 -44.6707 109.568 63.3297 96.9724 -35.7175 87.5967 -215.569 PRESSAVG: 998000 -78.2822 -7.65161 -43.8036 -7.65162 19.5711 -19.0684 -43.8037 -19.0684 -2.12684 GPRESSAVG: 998000 -79.6087 -7.25242 -44.1988 -8.9506 20.8357 -19.8981 -44.5463 -16.3453 -1.21872 TIMING: 998000 CPU: 3157.73, 0.00315824/step Wall: 3157.73, 0.00315824/step, 3.51092 hours remaining, 238.031250 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: 998000 3982.6101 20755.2674 14461.9844 249.3999 -203377.0634 2490.4017 0.0000 0.0000 52155.1598 -109282.2401 299.7364 -161437.3999 -108923.5186 299.7750 -16.8669 10.7601 762261.6336 -20.2793 -19.9972 PRESSURE: 998200 155.674 -254.496 -165.375 -254.496 152 98.9625 -165.375 98.9624 416.038 GPRESSURE: 998200 204.539 -294.26 -211.165 -93.8341 115.89 133.957 -122.936 109.563 478.524 PRESSAVG: 998200 -26.3605 9.69879 -45.7852 9.69886 0.645077 43.3877 -45.7852 43.3876 -11.4205 GPRESSAVG: 998200 -25.9248 10.9719 -47.1563 8.94718 -0.434423 43.5322 -44.7526 42.69 -10.9376 TIMING: 998200 CPU: 3158.35, 0.00314626/step Wall: 3158.35, 0.00314626/step, 3.49742 hours remaining, 238.031250 MB of memory in use. ENERGY: 998200 4011.0836 20652.2774 14445.9723 263.2968 -203649.5902 2854.1694 0.0000 0.0000 52389.1544 -109033.6363 301.0812 -161422.7907 -108674.9721 299.9222 241.2370 266.3179 761884.2388 -12.3786 -12.4322 PRESSURE: 998400 180.036 -199.19 27.7966 -199.19 -11.8571 -10.6335 27.7965 -10.6332 49.1878 GPRESSURE: 998400 203.803 -65.2067 -42.93 -175.71 93.4026 17.5045 -18.1324 -70.1741 -0.190301 PRESSAVG: 998400 -30.499 -4.34575 -23.4261 -4.34573 -2.4484 28.4632 -23.4261 28.4632 26.9654 GPRESSAVG: 998400 -30.8649 -6.16303 -20.9104 -2.33545 -1.28756 30.2422 -25.7968 27.5081 26.4725 TIMING: 998400 CPU: 3158.99, 0.00315364/step Wall: 3158.99, 0.00315364/step, 3.50545 hours remaining, 238.031250 MB of memory in use. ENERGY: 998400 3967.0267 20576.6602 14474.7652 246.4781 -203205.5659 2594.7534 0.0000 0.0000 52319.9934 -109025.8889 300.6837 -161345.8823 -108661.9271 299.9176 72.4556 99.0050 760487.1764 -1.9940 -1.8933 PRESSURE: 998600 -180.1 -40.7409 82.3267 -40.7407 -220.129 -119.603 82.3267 -119.603 -172.384 GPRESSURE: 998600 -60.7594 -10.2692 126.411 -14.5474 -170.926 -10.0772 45.9696 -119.122 -249.825 PRESSAVG: 998600 44.4412 -4.36472 -25.6784 -4.36467 -11.9631 -6.38819 -25.6783 -6.38818 -12.4237 GPRESSAVG: 998600 45.4832 -3.93041 -28.6603 -4.30823 -13.3297 -7.09068 -26.0197 -7.9629 -12.4726 TIMING: 998600 CPU: 3159.62, 0.00315527/step Wall: 3159.62, 0.00315527/step, 3.50709 hours remaining, 238.031250 MB of memory in use. ENERGY: 998600 4009.0042 20566.4751 14479.7903 249.7848 -202957.5550 2391.5863 0.0000 0.0000 51955.0762 -109305.8380 298.5865 -161260.9142 -108940.3005 300.2965 -190.8710 -160.5034 763243.3003 6.6848 6.5603 PRESSURE: 998800 -339.341 -64.6784 -85.1282 -64.6795 -225.746 119.054 -85.1286 119.054 -22.7919 GPRESSURE: 998800 -345.183 -78.9469 -49.6512 -51.77 -269.73 151.662 -26.8804 206.035 91.8373 PRESSAVG: 998800 22.8498 -28.2623 -26.2561 -28.2623 -16.7865 1.62537 -26.2562 1.62536 -4.16648 GPRESSAVG: 998800 22.1531 -28.7185 -24.1162 -29.2459 -17.75 0.186011 -25.2546 2.9288 -2.76443 TIMING: 998800 CPU: 3160.25, 0.00315822/step Wall: 3160.25, 0.00315822/step, 3.51019 hours remaining, 238.031250 MB of memory in use. ENERGY: 998800 3974.8755 20524.5223 14542.7580 255.9024 -203554.8064 2698.2814 0.0000 0.0000 52267.6989 -109290.7679 300.3832 -161558.4668 -108924.8252 299.9381 -195.9595 -174.3586 762938.7226 0.6322 0.5462 PRESSURE: 999000 77.998 86.8742 -237.48 86.8742 -25.7142 169.942 -237.48 169.942 475.904 GPRESSURE: 999000 102.203 -14.2959 -247.246 66.7454 45.2819 201.716 -135.041 -38.4728 456.514 PRESSAVG: 999000 0.332092 21.6645 -12.3271 21.6644 -21.2705 -3.6567 -12.3271 -3.65671 -4.13202 GPRESSAVG: 999000 0.294113 18.9718 -12.2585 23.5805 -20.2959 -2.98377 -11.063 -4.11765 -4.79 TIMING: 999000 CPU: 3160.88, 0.00316659/step Wall: 3160.88, 0.00316659/step, 3.51931 hours remaining, 238.031250 MB of memory in use. ENERGY: 999000 3977.0704 20509.8667 14493.2901 261.0763 -203226.5592 2781.7343 0.0000 0.0000 51922.9983 -109280.5231 298.4022 -161203.5214 -108922.8165 298.9814 176.0626 201.3330 763677.9633 -8.3568 -8.2639 PRESSURE: 999200 154.475 130.01 -36.4565 130.011 389.594 -129.262 -36.4573 -129.261 254.468 GPRESSURE: 999200 249.817 171.918 -95.0802 60.208 417.202 -58.2034 40.5396 -181.177 211.898 PRESSAVG: 999200 19.2763 -15.5666 -12.6278 -15.5666 -40.2358 -31.3379 -12.6277 -31.3379 28.1474 GPRESSAVG: 999200 20.3673 -11.54 -14.5159 -16.386 -40.8688 -32.1568 -13.2115 -33.4929 27.7443 TIMING: 999200 CPU: 3161.51, 0.00316021/step Wall: 3161.51, 0.00316021/step, 3.51205 hours remaining, 238.031250 MB of memory in use. ENERGY: 999200 3907.4790 20529.2948 14445.0681 259.6376 -203248.0448 2699.2911 0.0000 0.0000 52300.9438 -109106.3305 300.5742 -161407.2743 -108745.8003 299.1664 266.1792 292.9724 763578.9931 2.3960 2.4143 PRESSURE: 999400 149.182 131.138 -88.9733 131.137 245.558 -148.111 -88.9739 -148.111 387.38 GPRESSURE: 999400 246.491 241.809 -88.7415 125.292 227.457 -178.942 -78.3951 50.0079 387.432 PRESSAVG: 999400 -11.4075 -4.79226 37.7782 -4.7922 31.3465 -15.0631 37.7781 -15.0631 13.8977 GPRESSAVG: 999400 -12.3298 -6.55541 38.681 -5.15769 32.6311 -16.7935 38.5565 -12.7204 13.8415 TIMING: 999400 CPU: 3162.15, 0.00317797/step Wall: 3162.15, 0.00317797/step, 3.5316 hours remaining, 238.031250 MB of memory in use. ENERGY: 999400 4026.8415 20459.8714 14520.2721 240.0252 -203319.0083 2879.1850 0.0000 0.0000 52019.9961 -109172.8169 298.9596 -161192.8130 -108809.1213 299.6368 260.7068 287.1267 761094.4539 11.2789 11.3809 PRESSURE: 999600 -111.804 -29.9017 -114.054 -29.9012 -113.656 -100.622 -114.053 -100.622 13.9837 GPRESSURE: 999600 -174.478 46.1365 -134.779 -89.055 32.7366 -132.037 -194.927 -245.864 5.49054 PRESSAVG: 999600 43.2503 6.76816 4.04245 6.76806 -5.92022 -5.6646 4.04251 -5.66467 19.2258 GPRESSAVG: 999600 42.9959 7.83879 3.37104 5.93804 -5.64352 -3.87706 2.59838 -6.42956 19.0572 TIMING: 999600 CPU: 3162.79, 0.00318027/step Wall: 3162.79, 0.00318027/step, 3.53399 hours remaining, 238.031250 MB of memory in use. ENERGY: 999600 3998.7212 20507.3740 14544.4464 250.4381 -202988.1229 2454.1491 0.0000 0.0000 51851.7161 -109381.2780 297.9925 -161232.9941 -109026.1171 298.9650 -70.4921 -45.4168 761137.0667 18.8519 18.8032 PRESSURE: 999800 -330.903 132.822 148.211 132.822 -140.474 -16.7166 148.211 -16.7156 -80.968 GPRESSURE: 999800 -366.951 229.95 165.485 111.293 34.2125 -52.1425 184.469 4.09056 -142.395 PRESSAVG: 999800 34.7755 -2.21775 -26.4133 -2.21771 -55.8381 -15.5426 -26.4133 -15.5426 9.17383 GPRESSAVG: 999800 34.1383 -4.52212 -26.8226 -1.1896 -56.6819 -15.2534 -24.1993 -16.7394 10.0839 TIMING: 999800 CPU: 3163.42, 0.00319667/step Wall: 3163.42, 0.00319667/step, 3.55204 hours remaining, 238.031250 MB of memory in use. ENERGY: 999800 3933.7600 20502.0661 14496.0891 262.9065 -203073.3264 2399.5911 0.0000 0.0000 52274.5102 -109204.4034 300.4223 -161478.9136 -108839.9200 299.8069 -184.1150 -158.3780 760751.4026 -3.9629 -4.1532 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.302 seconds, 238.031 MB of memory in use PRESSURE: 1000000 -149.353 150.788 -70.5254 150.789 79.7122 69.3009 -70.5256 69.3003 -165.602 GPRESSURE: 1000000 -41.6751 177.38 -58.6265 242.692 84.2463 -27.8582 -123.784 98.1809 -176.782 PRESSAVG: 1000000 53.9606 -63.4684 -4.41756 -63.4684 -54.8294 -9.38333 -4.4176 -9.38325 18.5245 GPRESSAVG: 1000000 55.9736 -64.0269 -3.43524 -63.193 -56.5278 -11.1812 -8.09086 -7.96203 18.1691 TIMING: 1000000 CPU: 3164.36, 0.00469153/step Wall: 3164.36, 0.00469153/step, 5.21281 hours remaining, 238.031250 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: 1000000 3970.4591 20613.7617 14499.1355 269.2738 -203098.3349 2430.2599 0.0000 0.0000 52323.2379 -108992.2071 300.7024 -161315.4450 -108619.7193 300.0103 -78.4141 -44.7368 761851.9464 5.8852 5.8716 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 135.714 -73.0048 -54.9479 -73.0041 147.534 -208.042 -54.9481 -208.042 105.518 GPRESSURE: 1000200 169.716 -51.8443 15.4764 39.8032 117.522 -145.651 -55.8802 -92.3911 188.91 PRESSAVG: 1000200 15.2792 24.3533 25.0763 24.3534 -40.4847 -14.2301 25.0764 -14.23 -1.09701 GPRESSAVG: 1000200 13.7942 25.9753 24.6298 23.7203 -39.5823 -12.1222 25.6552 -13.6087 -0.996282 TIMING: 1000200 CPU: 3165.43, 0.00533285/step Wall: 3165.43, 0.00533285/step, 5.9251 hours remaining, 238.031250 MB of memory in use. ENERGY: 1000200 4044.5708 20495.3087 14545.9333 233.5316 -202872.2013 2440.0542 0.0000 0.0000 52194.4872 -108918.3154 299.9624 -161112.8026 -108564.2428 300.1766 129.5883 158.7161 762150.1829 -8.7675 -8.9281 LDB: ============= START OF LOAD BALANCING ============== 3177.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3177.88 LDB: =============== DONE WITH MIGRATION ================ 3177.89 LDB: ============= START OF LOAD BALANCING ============== 3178.21 LDB: Largest compute 7032 load 0.038192 is 19.6% of average load 0.194927 LDB: Average compute 0.004429 is 2.3% of average load 0.194927 LDB: TIME 3178.21 LOAD: AVG 0.194927 MAX 0.215036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.305 MB LDB: TIME 3178.21 LOAD: AVG 0.194927 MAX 0.215036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.375 MB LDB: TIME 3178.21 LOAD: AVG 0.194927 MAX 0.215036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.375 MB LDB: ============== END OF LOAD BALANCING =============== 3178.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3178.22 PRESSURE: 1000400 -275.548 -77.5423 -117.627 -77.5422 -138.889 107.812 -117.627 107.813 -108.672 GPRESSURE: 1000400 -259.478 75.6681 -181.81 16.0333 -99.9984 39.5016 34.5671 133.646 -95.5477 PRESSAVG: 1000400 106.57 19.8831 60.5165 19.8832 -50.4095 -5.36877 60.5165 -5.36874 22.9123 GPRESSAVG: 1000400 107.633 20.2657 60.616 20.4104 -50.8727 -5.86125 61.9243 -5.39998 22.2145 TIMING: 1000400 CPU: 3166.08, 0.00325926/step Wall: 3166.08, 0.00325926/step, 3.62103 hours remaining, 235.761719 MB of memory in use. ENERGY: 1000400 4020.4261 20532.7975 14436.1383 248.2133 -202618.9807 2250.9414 0.0000 0.0000 52124.9988 -109005.4654 299.5631 -161130.4641 -108633.0184 300.2908 -174.3699 -151.6748 763491.0113 26.3577 26.3249 PRESSURE: 1000600 17.0434 -29.6446 139.679 -29.6439 -260.893 -126.123 139.678 -126.122 128.445 GPRESSURE: 1000600 55.4022 -287.498 162.797 -124.767 -246.011 -105.654 131.61 -44.4863 153.123 PRESSAVG: 1000600 10.7813 20.34 17.8414 20.3401 -15.9931 -40.4544 17.8414 -40.4543 11.5391 GPRESSAVG: 1000600 9.7315 20.607 18.2479 17.8166 -15.4868 -42.1965 17.651 -39.2069 11.809 TIMING: 1000600 CPU: 3166.72, 0.00319692/step Wall: 3166.72, 0.00319692/step, 3.5516 hours remaining, 235.761719 MB of memory in use. ENERGY: 1000600 4009.2040 20596.8145 14433.8765 239.6134 -203300.4378 2857.2969 0.0000 0.0000 52317.3557 -108846.2769 300.6686 -161163.6326 -108497.7375 300.5241 -38.4680 -12.4953 762531.4787 2.1091 2.0179 PRESSURE: 1000800 -79.1052 22.1085 24.3611 22.1091 -589.987 -327.239 24.3615 -327.239 118.064 GPRESSURE: 1000800 -101.508 94.1711 15.6901 -22.5893 -482.152 -343.407 235.608 -296.959 130.671 PRESSAVG: 1000800 7.42986 18.936 -13.1062 18.9361 -3.7318 -35.8937 -13.1062 -35.8936 -12.7325 GPRESSAVG: 1000800 8.3114 18.5103 -13.1822 19.411 -4.33265 -33.874 -13.8648 -38.3336 -13.1295 TIMING: 1000800 CPU: 3167.36, 0.00317516/step Wall: 3167.36, 0.00317516/step, 3.52725 hours remaining, 235.761719 MB of memory in use. ENERGY: 1000800 3991.8177 20625.8276 14511.8125 257.8221 -203184.0051 2396.9561 0.0000 0.0000 52486.8719 -108912.8973 301.6428 -161399.7692 -108556.0952 300.0848 -183.6761 -150.9965 761780.7476 -3.0115 -3.0503 PRESSURE: 1001000 166.519 -57.4078 91.812 -57.4072 96.1061 -267.583 91.8127 -267.582 186.001 GPRESSURE: 1001000 150.574 -6.25001 155.252 -62.4598 120.681 -304.102 55.1258 -293.459 260.124 PRESSAVG: 1001000 6.50183 -6.93804 19.7785 -6.93807 10.6021 -29.6902 19.7784 -29.6902 -9.09136 GPRESSAVG: 1001000 7.63558 -4.74591 20.3794 -5.73449 9.54823 -29.9625 19.6735 -30.0195 -9.20683 TIMING: 1001000 CPU: 3167.99, 0.00319569/step Wall: 3167.99, 0.00319569/step, 3.54987 hours remaining, 235.761719 MB of memory in use. ENERGY: 1001000 3980.2942 20588.9173 14513.4386 255.2289 -203141.3996 2509.1410 0.0000 0.0000 52350.0634 -108944.3162 300.8565 -161294.3796 -108592.3791 300.4422 149.5421 177.1263 762142.7162 2.6709 2.6590 PRESSURE: 1001200 -172.685 -238.869 183.335 -238.868 -64.6336 253.257 183.336 253.257 -182.927 GPRESSURE: 1001200 -143.785 -226.408 156.924 -146.066 61.0218 166.154 182.915 212.906 -252.429 PRESSAVG: 1001200 18.8268 9.36445 21.8413 9.36451 48.1936 10.5763 21.8413 10.5763 15.5787 GPRESSAVG: 1001200 16.3835 7.70297 19.8286 9.47292 49.2417 10.3157 22.4168 11.0026 16.9682 TIMING: 1001200 CPU: 3168.63, 0.00317673/step Wall: 3168.63, 0.00317673/step, 3.52864 hours remaining, 235.761719 MB of memory in use. ENERGY: 1001200 4074.3151 20446.9940 14543.0759 254.8459 -202878.1488 2335.8991 0.0000 0.0000 52071.1610 -109151.8578 299.2537 -161223.0188 -108787.2200 300.2187 -140.0819 -111.7305 760684.2734 27.5331 27.5311 PRESSURE: 1001400 99.7827 119.63 5.76135 119.631 -144.778 -153.004 5.76198 -153.005 -111.922 GPRESSURE: 1001400 147.64 60.4424 -27.5478 29.9462 -92.7641 -85.9373 -60.1566 -137.031 -134.723 PRESSAVG: 1001400 26.1117 -6.99034 34.8026 -6.99039 10.1292 3.12511 34.8026 3.12509 -25.4486 GPRESSAVG: 1001400 26.8195 -8.27844 34.5034 -7.25472 10.05 4.23925 35.312 1.96122 -26.5189 TIMING: 1001400 CPU: 3169.27, 0.00319386/step Wall: 3169.27, 0.00319386/step, 3.54749 hours remaining, 235.761719 MB of memory in use. ENERGY: 1001400 4044.5237 20395.8077 14583.0711 248.3559 -203199.5795 2519.4565 0.0000 0.0000 52169.1259 -109239.2388 299.8167 -161408.3647 -108882.9300 299.3666 -52.3058 -26.6155 761590.3759 3.5974 3.4502 PRESSURE: 1001600 -230.068 9.80011 85.1194 9.80081 -144.001 82.6324 85.1193 82.6317 27.1679 GPRESSURE: 1001600 -186.145 3.86969 68.0254 68.7912 -103.848 32.3939 89.2527 17.2613 44.37 PRESSAVG: 1001600 0.0187949 5.18302 54.4145 5.18306 -20.1497 -20.1218 54.4145 -20.1218 0.035431 GPRESSAVG: 1001600 -0.155212 5.88595 54.2063 3.54636 -19.1389 -20.8539 53.583 -19.9316 -1.21732 TIMING: 1001600 CPU: 3169.91, 0.00319904/step Wall: 3169.91, 0.00319904/step, 3.55306 hours remaining, 235.761719 MB of memory in use. ENERGY: 1001600 3957.7213 20524.6403 14585.3724 241.2451 -203394.3715 2684.7195 0.0000 0.0000 52270.2960 -109130.3768 300.3981 -161400.6729 -108777.9208 299.5479 -115.6338 -81.8743 761801.6951 -6.6985 -6.8371 PRESSURE: 1001800 -108.477 -192.851 95.5118 -192.851 -87.6576 102.088 95.5122 102.089 299.893 GPRESSURE: 1001800 -62.5985 -182.026 114.933 -33.6839 -64.692 77.7956 145.077 88.0818 322.304 PRESSAVG: 1001800 17.5937 -22.3704 32.9505 -22.3704 -13.1425 9.45193 32.9506 9.45184 5.5008 GPRESSAVG: 1001800 17.9539 -22.539 33.0482 -19.2183 -15.5439 9.55151 34.1188 10.068 7.5272 TIMING: 1001800 CPU: 3170.54, 0.00316712/step Wall: 3170.54, 0.00316712/step, 3.51744 hours remaining, 235.761719 MB of memory in use. ENERGY: 1001800 4034.6528 20638.2436 14406.8245 223.9881 -203776.1411 2875.9215 0.0000 0.0000 52420.4441 -109176.0664 301.2610 -161596.5105 -108808.1749 299.6318 34.5862 65.0044 761868.1974 3.3174 3.3124 PRESSURE: 1002000 159.474 69.7124 -17.2307 69.7122 -44.3652 74.4072 -17.2302 74.408 -177.011 GPRESSURE: 1002000 103.734 34.9528 -58.2189 -4.82602 48.3764 146.115 -92.0903 -53.2897 -146.438 PRESSAVG: 1002000 31.4045 -33.9922 6.54158 -33.9921 11.5871 -27.201 6.5416 -27.2009 3.77856 GPRESSAVG: 1002000 31.5665 -35.0965 5.66352 -34.6 12.9626 -28.0575 6.33647 -28.0413 2.45507 TIMING: 1002000 CPU: 3171.18, 0.0031718/step Wall: 3171.18, 0.0031718/step, 3.52246 hours remaining, 235.761719 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: 1002000 3963.3471 20521.2378 14558.5337 236.0843 -203133.2033 2670.6317 0.0000 0.0000 51957.5138 -109225.8550 298.6005 -161183.3688 -108858.4848 299.3960 -20.6343 1.8907 762333.9216 15.5900 15.6614 PRESSURE: 1002200 349.524 -191.541 -68.5469 -191.541 11.3098 -70.644 -68.5477 -70.6439 -331.325 GPRESSURE: 1002200 236.169 -260.886 -88.0507 -151.954 64.072 9.49071 -116.232 -12.5151 -198.014 PRESSAVG: 1002200 20.7744 -13.5748 6.86282 -13.5748 -25.03 26.5664 6.86285 26.5664 -4.94714 GPRESSAVG: 1002200 20.6631 -13.788 9.28092 -14.6791 -25.5979 27.6227 6.71664 26.8071 -4.13338 TIMING: 1002200 CPU: 3171.81, 0.00315608/step Wall: 3171.81, 0.00315608/step, 3.50483 hours remaining, 235.761719 MB of memory in use. ENERGY: 1002200 3988.5198 20556.3178 14543.6128 246.5733 -202958.7224 2496.3471 0.0000 0.0000 52043.3761 -109083.9755 299.0940 -161127.3516 -108713.0583 299.2903 9.8362 34.0757 762067.8574 -3.0676 -3.0227 PRESSURE: 1002400 -382 24.1797 58.0568 24.179 -279.09 8.16478 58.0564 8.16516 -215.555 GPRESSURE: 1002400 -327.717 -12.6783 66.6751 -1.2678 -252.986 -9.51577 192.523 -10.3486 -227.609 PRESSAVG: 1002400 0.622969 -18.9958 -25.6485 -18.9958 -14.3163 -24.3116 -25.6484 -24.3116 -2.49625 GPRESSAVG: 1002400 0.626929 -17.462 -28.281 -18.4983 -14.1854 -23.5108 -23.7249 -24.3276 -2.32244 TIMING: 1002400 CPU: 3172.44, 0.00314799/step Wall: 3172.44, 0.00314799/step, 3.49567 hours remaining, 235.761719 MB of memory in use. ENERGY: 1002400 3938.4555 20487.6298 14528.9491 257.3935 -202962.9973 2224.7601 0.0000 0.0000 52465.1330 -109060.6761 301.5178 -161525.8091 -108694.8722 299.7839 -292.2147 -269.4372 762458.2729 -5.3965 -5.2936 PRESSURE: 1002600 319.709 -63.771 -87.7913 -63.7709 -125.652 -326.737 -87.7903 -326.738 116.319 GPRESSURE: 1002600 275.206 43.147 -86.0736 -81.8793 80.7084 -330.37 -207.787 -262.822 33.0663 PRESSAVG: 1002600 7.31074 15.12 28.2654 15.12 -19.6615 -32.8762 28.2655 -32.8761 -11.3636 GPRESSAVG: 1002600 6.50804 15.8042 30.0224 13.6254 -17.8081 -33.1954 26.2537 -32.4571 -12.4606 TIMING: 1002600 CPU: 3173.07, 0.0031597/step Wall: 3173.07, 0.00315969/step, 3.50849 hours remaining, 235.761719 MB of memory in use. ENERGY: 1002600 4075.6708 20498.2695 14521.1155 239.4447 -203780.0691 2973.1785 0.0000 0.0000 52332.4544 -109139.9357 300.7553 -161472.3900 -108768.4117 299.9284 103.4588 129.6603 761409.9664 -7.9048 -7.9202 PRESSURE: 1002800 53.5733 -15.1051 56.1279 -15.1049 -21.8907 313.433 56.1275 313.434 -127.893 GPRESSURE: 1002800 97.9836 -2.09064 135.999 26.8944 -18.6198 325.305 42.261 207.603 -96.1961 PRESSAVG: 1002800 -19.2064 15.7284 -12.457 15.7283 -31.0211 35.1459 -12.457 35.1459 -8.78072 GPRESSAVG: 1002800 -18.365 15.7291 -12.1746 19.0456 -32.3625 35.5065 -13.6717 32.5076 -8.81153 TIMING: 1002800 CPU: 3173.7, 0.00314026/step Wall: 3173.7, 0.00314026/step, 3.48674 hours remaining, 235.761719 MB of memory in use. ENERGY: 1002800 3969.8421 20569.7323 14469.3666 253.0582 -203384.8331 2802.4250 0.0000 0.0000 51879.0659 -109441.3430 298.1497 -161320.4090 -109078.4906 299.4566 -32.0703 -5.6108 762982.0313 -19.6694 -19.8463 PRESSURE: 1003000 449.638 145.759 135.885 145.76 257.47 -68.8836 135.885 -68.883 286.839 GPRESSURE: 1003000 517.509 156.524 150.658 -47.8968 284.359 -98.4979 75.2631 -76.8812 239.587 PRESSAVG: 1003000 5.08328 18.9624 -23.1458 18.9625 -10.9493 2.30475 -23.1458 2.30468 -5.38108 GPRESSAVG: 1003000 4.43927 20.2817 -23.26 16.8597 -11.4868 1.61033 -22.5965 5.27094 -4.66279 TIMING: 1003000 CPU: 3174.33, 0.00315058/step Wall: 3174.33, 0.00315058/step, 3.49802 hours remaining, 235.761719 MB of memory in use. ENERGY: 1003000 3987.9186 20656.5498 14514.7602 250.8173 -203888.8096 3137.9395 0.0000 0.0000 52053.3970 -109287.4272 299.1516 -161340.8242 -108926.0006 299.1127 331.3157 347.1514 760832.7700 -3.7490 -3.9034 PRESSURE: 1003200 -124.156 -77.4987 -64.8443 -77.498 -406.37 -115.405 -64.8441 -115.405 -7.78382 GPRESSURE: 1003200 -128.061 -157.366 -47.2778 -114.141 -358.717 -68.219 -93.1826 -72.0941 29.442 PRESSAVG: 1003200 -34.626 35.7646 -22.168 35.7646 17.9582 20.186 -22.168 20.1861 15.1931 GPRESSAVG: 1003200 -34.4448 33.5268 -22.4926 36.604 18.4271 21.0034 -21.795 19.64 14.3787 TIMING: 1003200 CPU: 3174.96, 0.00316458/step Wall: 3174.96, 0.00316458/step, 3.51339 hours remaining, 235.761719 MB of memory in use. ENERGY: 1003200 4066.2410 20614.5836 14454.9584 254.6717 -202962.6825 2421.3781 0.0000 0.0000 51778.7003 -109372.1494 297.5729 -161150.8497 -109013.4711 299.2524 -179.4364 -152.4454 762941.1590 -0.4916 -0.5463 PRESSURE: 1003400 314.219 -126.651 -121.086 -126.652 -190.035 -83.5569 -121.086 -83.5555 -354.006 GPRESSURE: 1003400 338.62 54.9219 -104.072 -98.7515 -122.054 -37.9167 -86.2657 -211.31 -361.299 PRESSAVG: 1003400 -48.9679 17.2443 22.107 17.2443 37.7848 -7.08473 22.107 -7.08474 18.1007 GPRESSAVG: 1003400 -48.7382 19.8403 22.7686 15.4191 37.3404 -8.70084 21.4964 -6.86002 17.9497 TIMING: 1003400 CPU: 3175.59, 0.0031565/step Wall: 3175.59, 0.0031565/step, 3.50425 hours remaining, 235.761719 MB of memory in use. ENERGY: 1003400 3991.9060 20365.7024 14565.3287 248.1905 -203054.6406 2308.1167 0.0000 0.0000 52116.7905 -109458.6059 299.5159 -161575.3964 -109093.4179 299.5249 -76.6077 -48.2447 761990.4126 2.3059 2.1840 PRESSURE: 1003600 -56.169 39.2951 267.038 39.2953 -38.5154 112.456 267.038 112.456 117.66 GPRESSURE: 1003600 -2.89149 109.83 339.203 3.49064 9.0265 120.237 6.15461 111.825 105.33 PRESSAVG: 1003600 62.2301 31.9762 -14.1709 31.9762 15.2313 20.0913 -14.171 20.0912 -4.97373 GPRESSAVG: 1003600 62.6556 31.9491 -14.9388 32.5769 15.8729 20.2519 -12.9662 17.9976 -5.66765 TIMING: 1003600 CPU: 3176.23, 0.00316944/step Wall: 3176.23, 0.00316944/step, 3.51843 hours remaining, 235.761719 MB of memory in use. ENERGY: 1003600 3945.8553 20529.9099 14515.2441 250.5505 -203494.1431 2644.5600 0.0000 0.0000 52123.9614 -109484.0620 299.5571 -161608.0234 -109129.0101 299.3105 7.6586 37.1550 761954.6312 24.1626 24.2870 PRESSURE: 1003800 -443.616 134.618 -61.127 134.619 -204.594 -230.107 -61.1265 -230.107 -292.571 GPRESSURE: 1003800 -354.287 61.8358 -30.8045 76.7065 -194.137 -202.422 -22.6707 -298.099 -314.251 PRESSAVG: 1003800 6.08521 0.380505 -15.3265 0.380531 -19.3092 40.4108 -15.3265 40.4108 -9.08386 GPRESSAVG: 1003800 5.11462 -0.971624 -16.5726 1.8985 -19.4188 39.9624 -16.7872 42.6378 -8.3584 TIMING: 1003800 CPU: 3176.86, 0.00316775/step Wall: 3176.86, 0.00316775/step, 3.51638 hours remaining, 235.761719 MB of memory in use. ENERGY: 1003800 4012.3228 20554.8264 14553.5090 227.4583 -202997.7626 2307.4539 0.0000 0.0000 51964.9226 -109377.2695 298.6431 -161342.1921 -109011.6682 299.5161 -313.5938 -287.5582 762285.5117 -7.4360 -7.5542 PRESSURE: 1004000 -38.1424 -146.647 -100.299 -146.648 53.9257 120.861 -100.298 120.861 -346.045 GPRESSURE: 1004000 39.9473 -105.944 36.2023 -149.938 17.5162 138.822 -121.657 119.743 -320.596 PRESSAVG: 1004000 12.062 -17.7124 19.8893 -17.7125 -28.3075 -1.60624 19.8894 -1.60622 7.81178 GPRESSAVG: 1004000 13.0659 -15.1665 20.9199 -19.5198 -29.8405 -1.30803 21.185 -0.25666 7.94996 TIMING: 1004000 CPU: 3177.49, 0.00314989/step Wall: 3177.49, 0.00314989/step, 3.49638 hours remaining, 235.761719 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: 1004000 4000.5651 20614.3194 14426.0710 239.2840 -203570.0899 2757.3954 0.0000 0.0000 52052.1860 -109480.2690 299.1446 -161532.4549 -109120.3893 299.1133 -110.0871 -87.7107 761398.1333 -2.8112 -2.9415 PRESSURE: 1004200 -222.205 35.2891 -333.921 35.288 -164.605 -34.8554 -333.921 -34.8538 -86.2981 GPRESSURE: 1004200 -218.899 115.906 -401.754 36.2646 -68.0636 19.0384 -276.046 -17.1871 -127.536 PRESSAVG: 1004200 -25.6657 18.0852 -50.653 18.0852 33.7387 -18.3294 -50.653 -18.3293 2.9819 GPRESSAVG: 1004200 -26.9175 14.6553 -51.7485 17.8972 35.0078 -17.6918 -51.0105 -20.7376 3.21242 TIMING: 1004200 CPU: 3178.12, 0.00316229/step Wall: 3178.12, 0.00316229/step, 3.50997 hours remaining, 235.761719 MB of memory in use. ENERGY: 1004200 4021.3183 20656.0290 14530.8981 275.9246 -203440.7159 2402.6801 0.0000 0.0000 52078.5454 -109475.3203 299.2961 -161553.8657 -109109.2555 299.2733 -157.7030 -138.1663 761213.0249 3.6850 3.7676 LDB: ============= START OF LOAD BALANCING ============== 3190.57 LDB: ============== END OF LOAD BALANCING =============== 3190.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3190.57 LDB: ============= START OF LOAD BALANCING ============== 3190.89 LDB: Largest compute 7032 load 0.038944 is 20.0% of average load 0.195200 LDB: Average compute 0.004382 is 2.2% of average load 0.195200 LDB: TIME 3190.89 LOAD: AVG 0.1952 MAX 0.212337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.816 MB LDB: TIME 3190.89 LOAD: AVG 0.1952 MAX 0.212337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: TIME 3190.89 LOAD: AVG 0.1952 MAX 0.212337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: ============== END OF LOAD BALANCING =============== 3190.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3190.9 PRESSURE: 1004400 93.9747 22.6218 33.906 22.6217 -159.738 240.309 33.9057 240.309 29.9406 GPRESSURE: 1004400 118.161 6.57795 72.7061 -78.9696 -43.857 254.309 22.6544 199.537 -27.1247 PRESSAVG: 1004400 5.2413 -24.6768 -60.3706 -24.6768 8.10673 44.7275 -60.3707 44.7275 0.699588 GPRESSAVG: 1004400 4.84464 -21.2908 -60.2927 -22.8608 9.34083 43.4822 -59.8888 46.5446 -0.0403424 TIMING: 1004400 CPU: 3178.76, 0.00321237/step Wall: 3178.76, 0.00321237/step, 3.56537 hours remaining, 237.757812 MB of memory in use. ENERGY: 1004400 4005.8535 20637.5949 14466.9286 238.5792 -203737.1197 2826.2344 0.0000 0.0000 51935.3783 -109626.5507 298.4733 -161561.9291 -109268.0689 299.5367 -11.9408 15.7263 761047.9069 4.6825 4.7150 PRESSURE: 1004600 -111.097 -145.988 167.203 -145.987 73.4102 -207.238 167.203 -207.237 -161.427 GPRESSURE: 1004600 -50.6203 -69.471 130.048 -207.161 44.5036 -182.216 225.118 -159.788 -117.358 PRESSAVG: 1004600 3.57305 36.861 -15.0297 36.861 -2.86163 24.3987 -15.0297 24.3986 -5.06049 GPRESSAVG: 1004600 3.45177 35.3483 -14.2457 37.7871 -3.14009 23.8641 -14.6206 23.9667 -4.65379 TIMING: 1004600 CPU: 3179.39, 0.00315499/step Wall: 3179.39, 0.003155/step, 3.50152 hours remaining, 237.757812 MB of memory in use. ENERGY: 1004600 4035.0967 20538.2282 14473.5200 238.8988 -203301.9121 2638.4522 0.0000 0.0000 51835.4759 -109542.2405 297.8992 -161377.7163 -109182.0856 298.9966 -66.3713 -41.1583 761122.9553 -1.4497 -1.4474 PRESSURE: 1004800 -171.233 166.369 117.929 166.369 -18.4498 -22.7608 117.929 -22.7599 33.157 GPRESSURE: 1004800 -117.718 175.185 81.2618 155.666 -52.8367 0.497619 239.616 69.2468 72.9863 PRESSAVG: 1004800 9.72115 40.8524 -0.824444 40.8524 4.86392 -22.1404 -0.824416 -22.1405 14.2971 GPRESSAVG: 1004800 9.14023 40.7782 -0.769963 40.5702 4.12871 -21.3495 -1.04153 -22.1995 15.1229 TIMING: 1004800 CPU: 3180.03, 0.00315341/step Wall: 3180.03, 0.00315341/step, 3.49959 hours remaining, 237.757812 MB of memory in use. ENERGY: 1004800 3999.3243 20651.7659 14489.3862 239.2174 -203046.2247 2348.9036 0.0000 0.0000 51869.8123 -109447.8151 298.0965 -161317.6273 -109082.7055 299.0341 -52.1752 -32.5228 762977.6934 9.6274 9.4639 PRESSURE: 1005000 81.0851 243.077 236.243 243.078 -39.1269 -175.401 236.242 -175.401 -94.8291 GPRESSURE: 1005000 129.441 162.94 134.376 234.4 -61.2833 -173.653 319.806 -101.995 -47.5648 PRESSAVG: 1005000 -11.845 41.2108 64.553 41.2108 -32.7471 -53.6037 64.5529 -53.6037 5.08822 GPRESSAVG: 1005000 -11.2017 41.654 63.3774 40.6649 -33.0249 -52.5005 64.6906 -53.8965 4.37153 TIMING: 1005000 CPU: 3180.65, 0.00314605/step Wall: 3180.65, 0.00314605/step, 3.49125 hours remaining, 237.757812 MB of memory in use. ENERGY: 1005000 3932.7849 20462.5208 14535.9444 245.4024 -203231.1204 2596.4430 0.0000 0.0000 51965.1799 -109492.8449 298.6446 -161458.0249 -109134.3569 298.4289 -17.6236 6.8642 762270.4441 -13.1680 -13.2850 PRESSURE: 1005200 -144.517 118.928 13.9408 118.927 -152.355 -68.1267 13.942 -68.1273 141.899 GPRESSURE: 1005200 -55.5504 159.791 -59.5088 107.51 -110.475 -114.813 58.7618 -83.0146 98.8894 PRESSAVG: 1005200 -15.8141 -17.6457 19.1041 -17.6458 -9.28897 7.0968 19.104 7.09676 14.6879 GPRESSAVG: 1005200 -15.9596 -15.2657 19.1999 -18.9641 -9.76491 8.34084 18.3025 5.33212 15.1696 TIMING: 1005200 CPU: 3181.29, 0.00315595/step Wall: 3181.29, 0.00315595/step, 3.50206 hours remaining, 237.757812 MB of memory in use. ENERGY: 1005200 4012.6706 20360.6753 14523.2002 257.4929 -203506.8105 2700.5920 0.0000 0.0000 52083.1379 -109569.0415 299.3225 -161652.1795 -109202.4545 298.7000 -51.6577 -22.3786 763124.6620 -3.4717 -3.5183 PRESSURE: 1005400 263.232 1.63347 -231.036 1.63317 23.0087 107.425 -231.036 107.425 160.32 GPRESSURE: 1005400 188.308 -69.926 -235.488 -30.9323 76.0959 98.6783 -117.147 209.081 266.015 PRESSAVG: 1005400 9.27721 1.53276 7.03731 1.5327 0.0480454 -13.0419 7.03734 -13.0419 -3.91229 GPRESSAVG: 1005400 9.22493 -1.00986 7.98262 4.31811 0.190649 -13.4224 7.63686 -11.7405 -3.44941 TIMING: 1005400 CPU: 3181.92, 0.00317084/step Wall: 3181.92, 0.00317084/step, 3.5184 hours remaining, 237.757812 MB of memory in use. ENERGY: 1005400 3948.8975 20489.3538 14460.3614 274.1913 -203654.9871 2904.0287 0.0000 0.0000 52030.2347 -109547.9196 299.0185 -161578.1544 -109178.0000 298.8549 148.8534 176.8061 761728.9842 1.8043 1.9887 PRESSURE: 1005600 194.064 53.876 32.6591 53.8759 46.6568 272.844 32.6591 272.845 -117.277 GPRESSURE: 1005600 281.806 -61.2475 56.6068 23.0181 12.7691 210.21 7.95543 178.438 -96.0412 PRESSAVG: 1005600 6.81011 -5.67491 60.6165 -5.6749 37.2314 -41.4926 60.6164 -41.4926 -5.92352 GPRESSAVG: 1005600 5.46813 -5.28348 60.1312 -7.94332 38.6077 -42.8413 60.5138 -42.6197 -5.93894 TIMING: 1005600 CPU: 3182.55, 0.00317259/step Wall: 3182.55, 0.00317259/step, 3.52016 hours remaining, 237.757812 MB of memory in use. ENERGY: 1005600 4010.2350 20674.4040 14525.0270 236.8336 -203342.9328 2516.2382 0.0000 0.0000 51984.6200 -109395.5749 298.7563 -161380.1949 -109040.5751 298.6929 41.1479 66.1780 760882.5665 12.7060 12.7123 PRESSURE: 1005800 -142.116 -185.879 -58.474 -185.879 -174.318 -69.978 -58.4745 -69.9779 -196.435 GPRESSURE: 1005800 -96.3865 -223.994 -10.3181 -108.054 -166.654 -47.1482 13.1056 48.4552 -192.57 PRESSAVG: 1005800 -9.06285 22.2115 32.092 22.2115 19.8994 70.5756 32.092 70.5756 -3.07864 GPRESSAVG: 1005800 -6.75289 20.9824 32.4192 23.5811 18.8978 69.4851 30.6033 72.067 -3.70105 TIMING: 1005800 CPU: 3183.19, 0.00315834/step Wall: 3183.19, 0.00315834/step, 3.50418 hours remaining, 237.757812 MB of memory in use. ENERGY: 1005800 4050.0888 20624.8174 14480.8623 260.5033 -203279.6521 2704.1069 0.0000 0.0000 51847.0949 -109312.1785 297.9660 -161159.2734 -108952.8287 298.9562 -170.9564 -151.8701 762541.7266 2.5860 2.8146 PRESSURE: 1006000 195.607 -61.1884 -54.4187 -61.1882 370.9 -12.6845 -54.4181 -12.6851 63.9115 GPRESSURE: 1006000 203.66 -73.4078 -16.4509 -82.7444 365.112 -39.5189 56.1063 56.9546 142.264 PRESSAVG: 1006000 -8.38015 16.5744 24.4663 16.5745 17.2123 29.9497 24.4663 29.9497 12.6645 GPRESSAVG: 1006000 -9.38614 17.0095 25.4973 14.3818 17.3956 30.9172 25.2423 27.9667 13.6372 TIMING: 1006000 CPU: 3183.82, 0.00315515/step Wall: 3183.82, 0.00315515/step, 3.50046 hours remaining, 237.757812 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: 1006000 4035.0028 20595.8880 14538.1103 256.4360 -203745.2804 2833.4788 0.0000 0.0000 51991.4622 -109494.9022 298.7956 -161486.3645 -109130.6131 298.9264 210.1397 237.0121 759557.6583 7.1656 7.2155 PRESSURE: 1006200 75.6136 -139.158 -140.868 -139.159 194.179 -52.568 -140.868 -52.5684 228.434 GPRESSURE: 1006200 126.511 -32.1771 -77.354 -64.8199 172.938 83.0082 -133.272 -154.095 287.707 PRESSAVG: 1006200 -14.5608 40.4422 -20.1677 40.4422 33.7851 22.7344 -20.1677 22.7344 -28.7753 GPRESSAVG: 1006200 -13.0218 40.8584 -20.6976 42.297 32.8605 23.2122 -19.5689 24.92 -28.7781 TIMING: 1006200 CPU: 3184.45, 0.00316355/step Wall: 3184.45, 0.00316355/step, 3.5096 hours remaining, 237.757812 MB of memory in use. ENERGY: 1006200 3893.9335 20410.9960 14543.5435 272.2857 -203791.9648 2844.2304 0.0000 0.0000 52268.9083 -109558.0674 300.3901 -161826.9757 -109198.1546 299.0931 166.0758 195.7187 759840.8023 -3.1837 -2.9798 PRESSURE: 1006400 15.9913 -150.041 -128.809 -150.041 250.453 -17.5318 -128.81 -17.5323 -75.7243 GPRESSURE: 1006400 29.8442 -251.687 -172.344 -144.71 213.925 -149.751 -129.485 -30.3892 30.8189 PRESSAVG: 1006400 -9.62725 -29.2162 -21.1361 -29.2163 10.0537 22.104 -21.136 22.1041 18.1736 GPRESSAVG: 1006400 -12.0532 -30.2555 -21.858 -29.8022 12.0454 22.078 -22.1074 22.3716 17.9793 TIMING: 1006400 CPU: 3185.08, 0.00316293/step Wall: 3185.08, 0.00316293/step, 3.50874 hours remaining, 237.757812 MB of memory in use. ENERGY: 1006400 3973.8247 20687.4120 14481.0103 250.7788 -203365.5300 2506.6275 0.0000 0.0000 51822.9721 -109642.9046 297.8273 -161465.8767 -109284.2845 299.5717 63.5732 91.5294 760215.7091 6.2000 5.9905 PRESSURE: 1006600 -319.33 -15.6558 63.4899 -15.6558 -318.056 33.0502 63.4903 33.0505 249.899 GPRESSURE: 1006600 -139.854 -128.741 119.252 -32.5295 -288.037 41.2848 21.9017 121.258 148.667 PRESSAVG: 1006600 -33.4684 -42.5259 4.95061 -42.5259 30.101 20.4778 4.95061 20.4778 20.3762 GPRESSAVG: 1006600 -31.0383 -42.2363 6.78418 -40.3708 28.7426 21.0582 4.88206 17.2606 19.8201 TIMING: 1006600 CPU: 3185.71, 0.00313172/step Wall: 3185.71, 0.00313172/step, 3.47395 hours remaining, 237.757812 MB of memory in use. ENERGY: 1006600 4033.2379 20297.9898 14524.4358 243.7301 -203025.2010 2215.0474 0.0000 0.0000 52047.8445 -109662.9156 299.1197 -161710.7600 -109292.0205 298.8713 -129.1623 -93.0746 759787.6741 5.6696 5.8415 PRESSURE: 1006800 -55.08 -56.2042 220.882 -56.2047 -100.056 0.990785 220.883 0.990634 20.6944 GPRESSURE: 1006800 -93.0423 -29.6447 129.508 35.582 -11.7017 -89.2094 199.718 5.62413 42.7303 PRESSAVG: 1006800 29.8002 -4.99089 12.0034 -4.99084 11.9092 47.6283 12.0034 47.6284 -21.802 GPRESSAVG: 1006800 29.8156 -4.23486 10.049 -6.92363 11.2054 46.1324 13.2977 49.5388 -21.7327 TIMING: 1006800 CPU: 3186.35, 0.00318301/step Wall: 3186.35, 0.00318301/step, 3.53067 hours remaining, 237.757812 MB of memory in use. ENERGY: 1006800 3914.0568 20508.2067 14572.0982 241.0351 -203307.3434 2409.9687 0.0000 0.0000 51889.7657 -109772.2123 298.2112 -161661.9779 -109400.6508 298.6431 -44.8138 -20.6712 760301.5747 6.6358 6.4294 PRESSURE: 1007000 -39.0252 -117.732 -66.8485 -117.731 -10.9403 28.4344 -66.8486 28.4345 69.0903 GPRESSURE: 1007000 12.9827 -226.944 -97.7339 -130.913 -15.7647 68.9568 -156.769 3.2896 98.1327 PRESSAVG: 1007000 2.03598 -15.347 18.9379 -15.347 38.959 26.2038 18.9379 26.2038 0.690863 GPRESSAVG: 1007000 1.66236 -15.7839 19.3771 -15.9554 39.4826 27.3286 17.0126 25.9365 1.14405 TIMING: 1007000 CPU: 3186.98, 0.0031619/step Wall: 3186.98, 0.00316191/step, 3.50708 hours remaining, 237.757812 MB of memory in use. ENERGY: 1007000 4027.6133 20598.2020 14470.9726 234.3591 -203508.9694 2649.5348 0.0000 0.0000 51762.6343 -109765.6532 297.4806 -161528.2875 -109418.6125 298.2974 6.3750 31.7836 759878.4634 13.8953 14.0963 PRESSURE: 1007200 -26.5658 156.007 230.807 156.007 108.941 -24.9502 230.806 -24.9496 184.113 GPRESSURE: 1007200 104.22 160.683 170.888 72.3193 197.166 0.993531 334.32 -113.031 63.0883 PRESSAVG: 1007200 29.6665 -46.6294 35.0213 -46.6295 -40.144 2.72632 35.0213 2.72629 14.0598 GPRESSAVG: 1007200 29.9924 -45.4135 34.6442 -46.207 -39.3936 2.1397 37.2551 2.74659 12.568 TIMING: 1007200 CPU: 3187.61, 0.00316897/step Wall: 3187.61, 0.00316897/step, 3.51474 hours remaining, 237.757812 MB of memory in use. ENERGY: 1007200 3927.3097 20579.0277 14520.8621 242.3878 -203758.9758 2887.6894 0.0000 0.0000 51925.1682 -109676.5308 298.4147 -161601.6990 -109307.1303 298.6481 88.8293 121.4913 759629.9858 1.1941 1.0556 PRESSURE: 1007400 -154.63 -60.2427 53.359 -60.2446 -441.46 -265.766 53.3589 -265.766 -266.948 GPRESSURE: 1007400 -97.0079 28.0132 61.0231 -31.8682 -370.639 -178.081 1.18866 -226.207 -302.328 PRESSAVG: 1007400 141.372 -40.7851 1.23444 -40.7851 -121.315 33.2719 1.23448 33.2719 -10.0485 GPRESSAVG: 1007400 139.711 -43.1724 2.21238 -38.9596 -121.871 34.2381 1.0129 34.2792 -8.16207 TIMING: 1007400 CPU: 3188.24, 0.00315069/step Wall: 3188.24, 0.00315069/step, 3.4943 hours remaining, 237.757812 MB of memory in use. ENERGY: 1007400 3970.0528 20475.0150 14539.7178 233.5225 -203434.0073 2569.5650 0.0000 0.0000 51856.8558 -109789.2785 298.0221 -161646.1343 -109420.9311 298.6579 -287.6792 -256.6584 760756.3822 3.3362 3.2260 PRESSURE: 1007600 -190.625 -45.9091 269.562 -45.9097 -50.2097 157.664 269.562 157.664 372.013 GPRESSURE: 1007600 -215.786 5.62811 183.051 -71.6286 48.4334 154.24 323.925 152.286 405.087 PRESSAVG: 1007600 21.3963 -32.4457 17.2817 -32.4458 -46.4312 -31.5191 17.2817 -31.5191 26.5185 GPRESSAVG: 1007600 20.5292 -30.1631 16.8862 -32.7169 -45.5258 -30.3977 16.5013 -34.7737 26.3029 TIMING: 1007600 CPU: 3188.87, 0.00314382/step Wall: 3188.87, 0.00314382/step, 3.4865 hours remaining, 237.757812 MB of memory in use. ENERGY: 1007600 3991.2123 20521.8312 14498.0072 266.9583 -203092.8189 2457.5768 0.0000 0.0000 51972.7089 -109384.5241 298.6879 -161357.2330 -109024.7712 299.0051 43.7261 79.2448 760391.0606 0.4945 0.4355 PRESSURE: 1007800 189.08 18.3125 -174.832 18.3116 -82.9458 179.029 -174.831 179.027 -179.876 GPRESSURE: 1007800 165.623 -58.5691 -199.522 90.1886 13.6293 307.164 -14.8543 52.7881 -169.612 PRESSAVG: 1007800 49.6213 -16.1448 51.4172 -16.1448 -52.3156 3.48105 51.4172 3.48105 14.1084 GPRESSAVG: 1007800 49.8142 -18.0697 51.4935 -18.9516 -53.2051 3.62143 52.2947 4.35119 14.1611 TIMING: 1007800 CPU: 3189.5, 0.00316527/step Wall: 3189.5, 0.00316527/step, 3.51011 hours remaining, 237.757812 MB of memory in use. ENERGY: 1007800 3836.2566 20685.3906 14469.0816 250.4732 -203002.5652 2249.4131 0.0000 0.0000 52098.6556 -109413.2945 299.4117 -161511.9501 -109043.1886 299.2529 -24.5807 3.2133 760844.1268 3.8047 3.5900 PRESSURE: 1008000 -29.9518 69.9029 158.412 69.9033 -154.997 165.339 158.413 165.338 -98.0481 GPRESSURE: 1008000 110.542 91.9268 5.57882 107.544 -190.824 155.578 -38.3496 217.695 -97.7703 PRESSAVG: 1008000 35.6903 -43.8517 40.2236 -43.8517 -34.2039 -15.8319 40.2236 -15.8319 -6.24377 GPRESSAVG: 1008000 36.7458 -42.0916 40.5821 -41.9749 -33.3615 -17.7141 38.2186 -14.3815 -7.45385 TIMING: 1008000 CPU: 3190.14, 0.00318298/step Wall: 3190.14, 0.00318298/step, 3.52958 hours remaining, 237.757812 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: 1008000 3997.7970 20473.7783 14483.8031 218.4368 -203594.6428 2576.2746 0.0000 0.0000 52428.0077 -109416.5451 301.3045 -161844.5528 -109049.8655 299.3856 -94.3322 -59.3510 760074.9869 -1.5858 -1.3565 PRESSURE: 1008200 -169.397 -17.96 -40.475 -17.9607 -490.663 1.45543 -40.4752 1.45548 -243.814 GPRESSURE: 1008200 -53.4093 -13.2032 -65.7697 9.80682 -491.965 -33.034 -93.8144 -16.2371 -282.328 PRESSAVG: 1008200 30.6906 -19.4073 -32.806 -19.4073 -32.999 -43.6198 -32.8061 -43.6198 0.157969 GPRESSAVG: 1008200 30.6124 -20.7729 -32.321 -20.9306 -32.9334 -43.2557 -33.4991 -42.9615 0.529817 TIMING: 1008200 CPU: 3190.77, 0.00316811/step Wall: 3190.77, 0.00316811/step, 3.51291 hours remaining, 237.757812 MB of memory in use. ENERGY: 1008200 4076.4497 20713.8387 14509.9473 235.4276 -203357.1922 2614.8680 0.0000 0.0000 51828.3264 -109378.3346 297.8581 -161206.6609 -109016.1820 299.2605 -301.2916 -275.9009 763705.7943 -0.7168 -0.5971 LDB: ============= START OF LOAD BALANCING ============== 3203.23 LDB: ============== END OF LOAD BALANCING =============== 3203.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3203.23 LDB: ============= START OF LOAD BALANCING ============== 3203.55 LDB: Largest compute 7069 load 0.038781 is 19.9% of average load 0.195151 LDB: Average compute 0.004386 is 2.2% of average load 0.195151 LDB: TIME 3203.55 LOAD: AVG 0.195151 MAX 0.212339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.816 MB LDB: TIME 3203.55 LOAD: AVG 0.195151 MAX 0.212339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: TIME 3203.55 LOAD: AVG 0.195151 MAX 0.212339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.816 MB LDB: ============== END OF LOAD BALANCING =============== 3203.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3203.56 PRESSURE: 1008400 -84.579 -50.4793 -114.167 -50.4794 -171.071 16.5867 -114.168 16.5866 -68.285 GPRESSURE: 1008400 -11.9507 -57.1603 -192.07 -60.1655 -201.501 89.9578 32.0551 -42.526 -52.3266 PRESSAVG: 1008400 -26.9398 -61.1592 -6.82174 -61.1592 20.8386 9.87552 -6.82171 9.87545 7.56416 GPRESSAVG: 1008400 -26.1123 -58.8588 -6.22121 -60.4464 18.9428 9.34529 -5.06136 8.95537 8.53214 TIMING: 1008400 CPU: 3191.42, 0.00323993/step Wall: 3191.42, 0.00323993/step, 3.59236 hours remaining, 238.132812 MB of memory in use. ENERGY: 1008400 4020.5697 20902.7581 14525.4177 251.5172 -203503.9677 2592.6477 0.0000 0.0000 51980.8006 -109230.2568 298.7344 -161211.0574 -108864.0206 299.6650 -107.9783 -88.5927 762135.2281 0.4876 0.4542 PRESSURE: 1008600 228.206 127.663 -55.764 127.664 181.563 -159.456 -55.7639 -159.456 -119.021 GPRESSURE: 1008600 177.567 31.408 -67.4464 191.71 207.844 -175.035 -100.953 -89.2142 -17.3556 PRESSAVG: 1008600 -15.889 -10.0393 -2.89124 -10.0393 18.9513 -18.7743 -2.89133 -18.7743 -3.71485 GPRESSAVG: 1008600 -17.9086 -12.3166 -3.60187 -7.74716 20.6704 -18.8513 -7.10947 -19.2836 -2.89519 TIMING: 1008600 CPU: 3192.06, 0.00317518/step Wall: 3192.06, 0.00317518/step, 3.52039 hours remaining, 238.335938 MB of memory in use. ENERGY: 1008600 3975.7503 20615.8959 14491.2814 229.2293 -203578.7496 2661.6205 0.0000 0.0000 52320.9174 -109284.0546 300.6890 -161604.9721 -108919.5597 299.8913 96.9161 122.6851 760538.1256 -0.2175 -0.0445 PRESSURE: 1008800 -37.4821 34.333 -3.1551 34.3329 -320.726 -194.354 -3.15505 -194.354 -311.128 GPRESSURE: 1008800 -40.8932 148.563 -12.9936 -81.1342 -242.393 -83.3956 32.1678 -291.75 -294.335 PRESSAVG: 1008800 -34.6014 -25.6373 -18.9363 -25.6373 17.3217 -1.85198 -18.9363 -1.852 4.38383 GPRESSAVG: 1008800 -32.5076 -22.0391 -19.232 -27.8874 17.0061 -1.7339 -15.7264 -0.475694 2.8372 TIMING: 1008800 CPU: 3192.69, 0.00318344/step Wall: 3192.69, 0.00318344/step, 3.52938 hours remaining, 238.335938 MB of memory in use. ENERGY: 1008800 4006.6699 20508.2336 14504.1201 259.2615 -203383.8701 2583.5808 0.0000 0.0000 51937.3973 -109584.6069 298.4849 -161522.0042 -109222.6561 299.2544 -223.1119 -192.5403 761486.1088 -4.2986 -4.2214 PRESSURE: 1009000 282.323 175.647 -125.562 175.647 -7.67461 -54.5949 -125.562 -54.5966 74.2386 GPRESSURE: 1009000 297.342 46.0818 -102.815 122.679 -18.0602 -58.0323 -79.8406 -103.121 126.666 PRESSAVG: 1009000 23.3242 -2.8741 -2.16188 -2.87414 -7.48967 36.6053 -2.16191 36.6053 -7.30979 GPRESSAVG: 1009000 22.3219 -6.67656 -2.18045 -3.44171 -7.25522 37.2169 -2.07888 32.51 -6.17594 TIMING: 1009000 CPU: 3193.33, 0.00317057/step Wall: 3193.33, 0.00317057/step, 3.51493 hours remaining, 238.335938 MB of memory in use. ENERGY: 1009000 3960.2172 20586.3019 14462.2701 258.1360 -203849.7294 2964.5528 0.0000 0.0000 52061.3027 -109556.9488 299.1970 -161618.2515 -109187.8037 298.7208 116.2957 135.3160 762117.9770 2.8416 2.9636 PRESSURE: 1009200 -308.694 -9.95296 -74.0709 -9.95336 -69.9769 -73.5944 -74.0717 -73.5943 -114.9 GPRESSURE: 1009200 -236.002 69.5926 -60.3162 -69.0695 -68.3784 -153.632 -125.23 -107.809 -95.0385 PRESSAVG: 1009200 -0.661685 -2.25961 25.311 -2.2596 -0.382024 -15.3438 25.311 -15.3438 -11.96 GPRESSAVG: 1009200 0.223039 0.604115 24.7948 -2.19626 -0.999507 -15.1901 24.7335 -13.7226 -12.0263 TIMING: 1009200 CPU: 3193.97, 0.00320737/step Wall: 3193.97, 0.00320737/step, 3.55554 hours remaining, 238.335938 MB of memory in use. ENERGY: 1009200 4002.7675 20450.3331 14487.0573 245.8156 -203309.1155 2440.3929 0.0000 0.0000 52187.1655 -109495.5836 299.9204 -161682.7491 -109129.1955 298.9523 -164.5238 -133.1397 761882.9915 -4.3346 -4.2676 PRESSURE: 1009400 102.127 100.904 -80.7119 100.904 104.838 37.2476 -80.7117 37.2471 2.67531 GPRESSURE: 1009400 66.8287 82.2165 -66.6115 178.839 190.985 18.2301 -50.4282 136.529 32.7938 PRESSAVG: 1009400 7.77829 13.2145 31.1136 13.2145 24.1707 -15.4489 31.1136 -15.4489 -10.5026 GPRESSAVG: 1009400 8.41672 12.2181 31.4031 15.1338 24.4996 -14.6946 32.6338 -15.1585 -11.7182 TIMING: 1009400 CPU: 3194.61, 0.00318303/step Wall: 3194.61, 0.00318303/step, 3.52839 hours remaining, 238.335938 MB of memory in use. ENERGY: 1009400 3964.4964 20614.1406 14461.6343 236.6059 -203188.4700 2511.4688 0.0000 0.0000 52119.8478 -109280.2762 299.5335 -161400.1240 -108912.4793 299.5455 69.8803 96.8691 763751.6234 7.1488 7.0660 PRESSURE: 1009600 -310.362 52.0203 6.27302 52.0197 288.515 119.913 6.27291 119.913 -39.4024 GPRESSURE: 1009600 -233.112 -64.9296 -94.0275 141.795 289.376 218.442 109.155 -128.958 -37.0729 PRESSAVG: 1009600 -58.4255 24.2147 42.1487 24.2147 13.5377 2.06781 42.1487 2.06784 -22.6958 GPRESSAVG: 1009600 -57.672 24.2405 40.3366 21.2851 11.9768 0.494162 41.1296 1.77025 -22.1259 TIMING: 1009600 CPU: 3195.24, 0.00317127/step Wall: 3195.24, 0.00317127/step, 3.51517 hours remaining, 238.335938 MB of memory in use. ENERGY: 1009600 3962.2474 20726.6730 14359.8668 251.8194 -203939.4877 2765.3058 0.0000 0.0000 52477.1073 -109396.4681 301.5867 -161873.5753 -109025.0809 299.7093 -20.4164 6.3973 762234.6414 -22.5279 -22.6070 PRESSURE: 1009800 -177.956 13.8562 -207.705 13.8565 -157.554 -59.5384 -207.704 -59.5389 28.5967 GPRESSURE: 1009800 -53.7895 138.953 -208.607 -23.2101 -165.388 -70.4704 -151.771 -31.2851 -7.16038 PRESSAVG: 1009800 24.4733 8.07614 -0.423083 8.07611 26.4817 -67.6599 -0.42304 -67.6599 -4.33556 GPRESSAVG: 1009800 23.531 9.31054 0.163689 8.10112 27.385 -66.7469 -1.74984 -69.4053 -4.38876 TIMING: 1009800 CPU: 3195.87, 0.00316352/step Wall: 3195.87, 0.00316352/step, 3.50641 hours remaining, 238.335938 MB of memory in use. ENERGY: 1009800 4039.4777 20629.5809 14417.3228 248.2537 -203275.1151 2503.0944 0.0000 0.0000 51938.3254 -109499.0602 298.4903 -161437.3857 -109137.6697 299.6595 -102.3043 -75.4459 762139.6422 15.5398 15.5091 PRESSURE: 1010000 -26.6424 -188.252 -280.394 -188.252 346.47 -195.945 -280.395 -195.945 392.204 GPRESSURE: 1010000 37.5284 -250.614 -308.287 -150.328 317.939 -298.228 -88.024 19.5451 443.306 PRESSAVG: 1010000 44.5322 -36.9589 -10.6971 -36.9589 -45.8202 33.9499 -10.6971 33.95 -2.31745 GPRESSAVG: 1010000 43.7553 -39.7863 -8.30946 -32.5904 -46.2508 35.0419 -9.4524 37.1434 -1.21777 TIMING: 1010000 CPU: 3196.5, 0.0031585/step Wall: 3196.5, 0.0031585/step, 3.50067 hours remaining, 238.335938 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: 1010000 3964.7628 20607.3728 14468.3462 253.1323 -204010.0901 2957.5298 0.0000 0.0000 52102.6194 -109656.3268 299.4345 -161758.9463 -109299.3344 299.1889 237.3440 266.2577 760971.8981 -1.2018 -1.2378 PRESSURE: 1010200 -57.9401 64.8859 95.9864 64.8849 -104.634 -162.177 95.987 -162.177 -14.3522 GPRESSURE: 1010200 -5.70396 3.96465 180.541 80.4649 -103.998 -175.774 30.9394 -170.876 14.9145 PRESSAVG: 1010200 5.85877 -55.9083 8.806 -55.9083 19.0307 -26.277 8.80597 -26.2769 17.143 GPRESSAVG: 1010200 7.56724 -56.2266 6.51884 -57.6845 18.5087 -28.0906 7.46679 -28.3336 15.3739 TIMING: 1010200 CPU: 3197.14, 0.00317811/step Wall: 3197.14, 0.00317811/step, 3.52223 hours remaining, 238.335938 MB of memory in use. ENERGY: 1010200 4019.2218 20543.4026 14501.3127 263.4434 -203677.2039 2857.7800 0.0000 0.0000 51856.7503 -109635.2931 298.0215 -161492.0434 -109269.0796 299.1489 -58.9755 -31.5959 763198.9110 14.0108 13.8166 PRESSURE: 1010400 42.3673 -17.1158 28.4688 -17.1154 267.299 399.827 28.4685 399.827 -139.377 GPRESSURE: 1010400 64.4571 -1.67328 108.122 23.5945 230.432 352.46 69.9717 362.951 -36.5773 PRESSAVG: 1010400 28.099 7.60573 83.3478 7.60574 -38.5581 -49.139 83.3478 -49.1389 -20.9693 GPRESSAVG: 1010400 27.9206 9.22661 85.1817 7.62538 -39.2393 -50.6156 84.8257 -48.3065 -20.1679 TIMING: 1010400 CPU: 3197.77, 0.00316093/step Wall: 3197.77, 0.00316093/step, 3.50302 hours remaining, 238.335938 MB of memory in use. ENERGY: 1010400 4069.5202 20559.2155 14469.4377 252.7471 -203509.4905 2701.2836 0.0000 0.0000 51970.5013 -109486.7851 298.6752 -161457.2864 -109129.6107 298.8962 56.7631 86.1041 761856.4522 -10.4761 -10.4955 PRESSURE: 1010600 64.504 -76.9277 73.9591 -76.9287 66.8271 -338.011 73.9589 -338.012 84.3161 GPRESSURE: 1010600 67.9035 -90.1255 42.4351 56.6099 165.186 -332.195 41.2174 -359.748 46.7724 PRESSAVG: 1010600 -3.01666 31.0543 48.0945 31.0543 -26.9831 -62.4438 48.0945 -62.4438 -7.15699 GPRESSAVG: 1010600 -3.14396 32.1174 46.2445 31.5838 -26.6824 -62.6836 48.5267 -62.4979 -7.45518 TIMING: 1010600 CPU: 3198.4, 0.00315232/step Wall: 3198.4, 0.00315232/step, 3.4933 hours remaining, 238.335938 MB of memory in use. ENERGY: 1010600 4038.2524 20587.8884 14464.5293 246.6183 -203545.3693 2830.1651 0.0000 0.0000 51801.9864 -109575.9295 297.7067 -161377.9159 -109206.6275 298.8941 71.8824 93.2872 762631.9565 -12.3856 -12.4272 PRESSURE: 1010800 401.83 -122.754 25.3093 -122.755 -355.206 -127.662 25.3082 -127.663 500 GPRESSURE: 1010800 399.198 -71.9311 195.951 -106.723 -236.142 -80.2353 2.44925 -149.839 463.81 PRESSAVG: 1010800 65.1074 -36.6672 33.7874 -36.6672 -47.4862 -6.05092 33.7874 -6.05095 7.50368 GPRESSAVG: 1010800 64.6277 -38.3424 33.0434 -38.6216 -45.8363 -3.63363 32.3278 -7.0999 6.6664 TIMING: 1010800 CPU: 3199.03, 0.00314535/step Wall: 3199.03, 0.00314535/step, 3.4854 hours remaining, 238.335938 MB of memory in use. ENERGY: 1010800 3958.6240 20625.5143 14561.1428 248.8446 -203562.6768 2859.7510 0.0000 0.0000 51799.4868 -109509.3133 297.6924 -161308.8001 -109157.9780 299.3244 182.2077 208.9556 762720.5452 8.3750 8.4859 PRESSURE: 1011000 78.3366 -84.4285 -113.008 -84.4288 -22.4825 12.2379 -113.008 12.238 213.85 GPRESSURE: 1011000 201.157 -163.606 -157.139 -134.747 -68.3733 -7.05116 -106.241 -80.6108 236.875 PRESSAVG: 1011000 74.8688 33.7698 54.7 33.7698 -36.9455 -50.8822 54.7 -50.8822 -17.5789 GPRESSAVG: 1011000 75.5655 35.9164 55.4634 33.2572 -37.8887 -50.1132 56.4464 -52.0803 -17.0624 TIMING: 1011000 CPU: 3199.67, 0.00317776/step Wall: 3199.67, 0.00317775/step, 3.52113 hours remaining, 238.335938 MB of memory in use. ENERGY: 1011000 3958.7494 20573.2250 14461.6145 248.4509 -203832.7645 2900.3141 0.0000 0.0000 51986.8291 -109703.5815 298.7690 -161690.4107 -109335.2396 299.1911 89.9013 123.2195 762940.9686 6.7815 6.8715 PRESSURE: 1011200 233.589 153.825 96.5254 153.826 -399.194 -83.5184 96.5255 -83.5177 390.27 GPRESSURE: 1011200 294.123 129.561 49.9631 207.202 -255.438 -79.2271 44.0801 -161.009 284.999 PRESSAVG: 1011200 -1.86422 29.1836 53.6399 29.1836 -5.15399 -74.6861 53.64 -74.686 -4.15508 GPRESSAVG: 1011200 -3.05754 25.186 52.8904 30.4088 -4.64863 -75.6305 52.6386 -72.8437 -3.53909 TIMING: 1011200 CPU: 3200.3, 0.00317669/step Wall: 3200.3, 0.00317669/step, 3.51977 hours remaining, 238.335938 MB of memory in use. ENERGY: 1011200 3969.8290 20350.2281 14535.9670 259.9106 -203285.9043 2385.7439 0.0000 0.0000 51955.4521 -109828.7737 298.5887 -161784.2258 -109463.2754 298.3896 74.8883 107.8949 758900.5902 -3.7244 -3.7484 PRESSURE: 1011400 -255.639 113.922 -158.238 113.922 -127.446 -100.387 -158.238 -100.386 -9.09886 GPRESSURE: 1011400 -176.982 46.0985 -187.463 182.861 -146.258 -73.5629 -94.2556 -0.398067 11.0886 PRESSAVG: 1011400 29.0308 7.35071 27.6569 7.35074 -14.0192 9.29228 27.6569 9.29231 -6.87592 GPRESSAVG: 1011400 28.9692 8.39329 28.0506 8.27258 -14.2804 9.15763 26.3194 10.1432 -7.19026 TIMING: 1011400 CPU: 3200.94, 0.00317942/step Wall: 3200.94, 0.00317942/step, 3.52262 hours remaining, 238.335938 MB of memory in use. ENERGY: 1011400 4044.4494 20536.6000 14508.9034 264.2301 -203306.7557 2347.5381 0.0000 0.0000 51832.1797 -109772.8549 297.8802 -161605.0346 -109408.9909 298.5053 -130.7281 -104.0506 760502.9754 2.7119 2.4995 PRESSURE: 1011600 198.164 -76.8099 24.5348 -76.8102 -24.0514 30.3149 24.5355 30.3147 -15.6552 GPRESSURE: 1011600 283.113 -12.404 9.3079 -41.5477 -70.1889 63.8229 59.8487 48.0236 12.8594 PRESSAVG: 1011600 40.312 -4.20056 27.3755 -4.20047 -51.2896 24.5339 27.3756 24.534 12.7908 GPRESSAVG: 1011600 41.3572 -2.66822 27.2859 -6.10003 -52.3089 25.6649 28.9042 23.7095 12.9984 TIMING: 1011600 CPU: 3201.58, 0.0031872/step Wall: 3201.58, 0.0031872/step, 3.53106 hours remaining, 238.335938 MB of memory in use. ENERGY: 1011600 3991.5902 20569.6662 14526.4951 254.5922 -203867.2390 2880.7516 0.0000 0.0000 51937.3346 -109706.8091 298.4846 -161644.1437 -109344.8121 298.2252 52.8192 75.2612 759516.2726 0.6044 0.6823 PRESSURE: 1011800 315.582 -312.226 103.935 -312.226 -206.586 -200.424 103.936 -200.423 -158.049 GPRESSURE: 1011800 262.572 -326.034 223.546 -250.671 -84.5844 -240.001 89.0504 -92.0678 -148.037 PRESSAVG: 1011800 14.9434 -87.0686 32.6449 -87.0686 19.7374 17.4242 32.6449 17.4242 18.2677 GPRESSAVG: 1011800 14.2531 -88.3705 33.1487 -85.6623 20.1283 14.9324 32.7383 19.1672 18.7014 TIMING: 1011800 CPU: 3202.21, 0.00318533/step Wall: 3202.21, 0.00318533/step, 3.52881 hours remaining, 238.335938 MB of memory in use. ENERGY: 1011800 4007.3604 20630.9709 14484.3893 234.2903 -203692.6002 2797.2169 0.0000 0.0000 51766.5994 -109771.7730 297.5034 -161538.3724 -109418.5981 298.4825 -16.3512 9.9837 758502.6484 17.6495 17.6943 PRESSURE: 1012000 -217.342 262.48 233.139 262.479 -16.864 -26.0081 233.139 -26.0066 286.192 GPRESSURE: 1012000 -225.613 381.475 284.909 119.995 4.42681 -55.4403 -24.2221 -29.3592 340.791 PRESSAVG: 1012000 0.474337 -21.2195 -12.1849 -21.2195 37.9397 -14.0179 -12.185 -14.018 5.09837 GPRESSAVG: 1012000 0.0506929 -20.1414 -11.9147 -24.3584 38.8331 -14.0473 -13.551 -15.4558 4.6385 TIMING: 1012000 CPU: 3202.85, 0.00316528/step Wall: 3202.85, 0.00316528/step, 3.50642 hours remaining, 238.335938 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: 1012000 4015.3900 20633.2639 14497.5979 272.9979 -203430.3003 2543.4159 0.0000 0.0000 51957.6310 -109510.0036 298.6012 -161467.6346 -109151.7759 298.2966 17.3288 39.8681 759559.5023 14.5041 14.5074 PRESSURE: 1012200 127.297 99.0516 155.009 99.052 -239.149 280.353 155.01 280.354 42.6089 GPRESSURE: 1012200 54.8165 76.8539 121.239 180.28 -170.993 264.025 206.888 293.291 108.507 PRESSAVG: 1012200 -28.4734 -6.18096 4.8136 -6.18094 47.4287 -16.2365 4.81368 -16.2365 -8.59146 GPRESSAVG: 1012200 -27.9151 -6.42308 3.83895 -3.57821 47.4897 -14.2489 5.97108 -16.8805 -8.89712 TIMING: 1012200 CPU: 3203.48, 0.00317385/step Wall: 3203.48, 0.00317385/step, 3.51574 hours remaining, 238.335938 MB of memory in use. ENERGY: 1012200 3917.6817 20639.2220 14536.1008 261.5279 -203336.6784 2298.3737 0.0000 0.0000 52087.4825 -109596.2900 299.3475 -161683.7725 -109236.0292 298.9844 -23.0809 -2.5565 758807.3554 3.4546 3.5592 LDB: ============= START OF LOAD BALANCING ============== 3215.93 LDB: ============== END OF LOAD BALANCING =============== 3215.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3215.93 LDB: ============= START OF LOAD BALANCING ============== 3216.25 LDB: Largest compute 7032 load 0.039546 is 20.3% of average load 0.195158 LDB: Average compute 0.004405 is 2.3% of average load 0.195158 LDB: TIME 3216.26 LOAD: AVG 0.195158 MAX 0.212772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.105 MB LDB: TIME 3216.26 LOAD: AVG 0.195158 MAX 0.212772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: TIME 3216.26 LOAD: AVG 0.195158 MAX 0.212772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: ============== END OF LOAD BALANCING =============== 3216.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3216.26 PRESSURE: 1012400 -320.423 120.379 128.163 120.38 -196.192 53.7563 128.163 53.7566 90.8263 GPRESSURE: 1012400 -285.327 132.308 194.288 67.1496 -183.229 16.3657 178.157 81.1852 118.779 PRESSAVG: 1012400 -41.5177 -22.5932 -25.3073 -22.5932 28.453 43.2428 -25.3072 43.2427 1.61347 GPRESSAVG: 1012400 -42.2723 -22.5815 -23.7295 -23.4491 28.512 41.9455 -24.2782 43.5667 2.23487 TIMING: 1012400 CPU: 3204.13, 0.00323221/step Wall: 3204.13, 0.00323221/step, 3.58021 hours remaining, 236.921875 MB of memory in use. ENERGY: 1012400 3928.3303 20640.7325 14561.0084 258.7419 -203149.2801 2315.4634 0.0000 0.0000 51844.4769 -109600.5267 297.9509 -161445.0036 -109235.4235 298.7764 -141.9294 -116.5923 761285.0533 -3.8171 -3.8418 PRESSURE: 1012600 -75.01 134.159 -7.13697 134.159 -62.0633 -237.568 -7.13732 -237.569 -166.393 GPRESSURE: 1012600 -40.0042 54.0168 -85.2003 111.642 -68.7793 -209.817 -36.0263 -156.339 -104.438 PRESSAVG: 1012600 -5.30851 -41.3524 36.0414 -41.3524 21.856 54.3266 36.0414 54.3266 8.01257 GPRESSAVG: 1012600 -4.94264 -44.4323 35.1524 -40.4739 20.5256 56.1817 33.4168 53.2046 8.8247 TIMING: 1012600 CPU: 3204.76, 0.00314777/step Wall: 3204.76, 0.00314777/step, 3.48651 hours remaining, 236.921875 MB of memory in use. ENERGY: 1012600 4024.4515 20623.7514 14492.1411 242.5891 -203603.9887 2461.4193 0.0000 0.0000 52121.3392 -109638.2972 299.5421 -161759.6364 -109276.6593 299.1185 -101.1555 -71.0738 759240.7724 8.1867 8.1359 PRESSURE: 1012800 -96.2568 -43.7004 -71.77 -43.7012 46.0095 23.0458 -71.7701 23.0454 111.623 GPRESSURE: 1012800 81.2582 -0.819516 -142.236 -3.80145 -47.7671 -16.746 -89.558 81.5779 127.755 PRESSAVG: 1012800 -38.8281 -48.9042 8.31419 -48.9042 18.1912 4.65133 8.31429 4.65145 10.0624 GPRESSAVG: 1012800 -37.0152 -44.0254 7.93671 -49.5714 17.9548 4.00611 10.7259 4.31553 8.72842 TIMING: 1012800 CPU: 3205.39, 0.00316996/step Wall: 3205.39, 0.00316996/step, 3.5109 hours remaining, 236.921875 MB of memory in use. ENERGY: 1012800 3973.1468 20463.9566 14391.7271 239.0729 -203759.0592 2970.0777 0.0000 0.0000 52166.8339 -109554.2442 299.8035 -161721.0781 -109197.8093 298.9724 20.4585 53.7487 760617.3046 -3.5248 -3.4440 PRESSURE: 1013000 14.2864 -28.9956 1.94999 -28.9949 -266.272 90.0141 1.94976 90.0126 -278.324 GPRESSURE: 1013000 -7.66045 -110.348 17.6809 -120.119 -150.011 136.776 -48.6519 51.6845 -271.954 PRESSAVG: 1013000 28.5023 -43.6849 -32.7349 -43.6849 -41.4277 -12.2968 -32.7349 -12.2968 18.6978 GPRESSAVG: 1013000 27.7437 -46.0085 -33.0926 -43.5705 -40.199 -11.6461 -34.2412 -11.719 18.2915 TIMING: 1013000 CPU: 3206.03, 0.00319687/step Wall: 3206.03, 0.00319687/step, 3.54054 hours remaining, 236.921875 MB of memory in use. ENERGY: 1013000 3975.5627 20426.6610 14401.5525 247.2812 -203634.6030 2715.5389 0.0000 0.0000 52117.1701 -109750.8366 299.5181 -161868.0067 -109384.6943 298.7885 -176.7696 -143.2085 762479.1563 1.9241 1.9454 PRESSURE: 1013200 202.084 40.6272 79.1422 40.6275 11.4877 112.744 79.1419 112.745 66.9818 GPRESSURE: 1013200 154.505 -19.1548 84.3426 156.904 100.828 190.782 43.1003 104.719 93.9723 PRESSAVG: 1013200 -30.8971 -10.539 64.9958 -10.5391 -45.2516 9.58825 64.9958 9.5881 9.48614 GPRESSAVG: 1013200 -30.9172 -11.5826 66.7538 -7.93115 -45.5848 7.99973 64.928 9.09773 10.2545 TIMING: 1013200 CPU: 3206.67, 0.00318876/step Wall: 3206.67, 0.00318876/step, 3.53137 hours remaining, 236.921875 MB of memory in use. ENERGY: 1013200 3936.4187 20371.4740 14522.9910 225.7093 -203151.4012 2456.8686 0.0000 0.0000 51576.7521 -110061.1875 296.4123 -161637.9396 -109708.5780 297.9205 93.5179 116.4354 760793.5685 -22.2208 -22.0825 PRESSURE: 1013400 -251.365 75.2235 -63.5169 75.2237 -119.979 171.299 -63.5178 171.298 64.1316 GPRESSURE: 1013400 -174.586 -51.3905 -8.00912 94.6239 -91.7409 129.595 -220.065 100.807 35.3797 PRESSAVG: 1013400 38.312 -28.5205 20.9804 -28.5206 -17.7355 -16.3252 20.9804 -16.3251 -35.4059 GPRESSAVG: 1013400 39.1557 -28.2088 19.9614 -30.5127 -18.8372 -16.41 20.3895 -16.4717 -35.4802 TIMING: 1013400 CPU: 3207.3, 0.00317049/step Wall: 3207.3, 0.00317049/step, 3.51097 hours remaining, 236.921875 MB of memory in use. ENERGY: 1013400 3959.0828 20479.0860 14423.7384 248.1249 -203831.2340 2610.8110 0.0000 0.0000 51782.0318 -110328.3591 297.5920 -162110.3909 -109978.7865 297.4668 -102.4038 -76.9823 761006.6028 -4.9431 -5.0539 PRESSURE: 1013600 77.2379 -65.1366 -106.472 -65.1356 6.61791 -142.409 -106.472 -142.408 107.662 GPRESSURE: 1013600 194.117 -61.6534 -158.599 -77.9105 109.126 -174.768 49.9765 -84.5138 1.95361 PRESSAVG: 1013600 116.674 -66.1125 74.7541 -66.1125 -63.7422 -7.26237 74.754 -7.26235 -3.21836 GPRESSAVG: 1013600 117.25 -66.3401 73.9236 -64.932 -63.134 -7.43788 74.4479 -7.04661 -3.86263 TIMING: 1013600 CPU: 3207.94, 0.00317963/step Wall: 3207.94, 0.00317963/step, 3.52091 hours remaining, 236.921875 MB of memory in use. ENERGY: 1013600 4059.3725 20532.0984 14426.5849 242.9528 -203430.9799 2593.6872 0.0000 0.0000 51655.4280 -109920.8561 296.8645 -161576.2841 -109565.8755 297.8827 63.8393 101.7323 759498.2801 16.5712 16.7512 PRESSURE: 1013800 -31.5448 -12.4026 203.611 -12.4024 -80.8491 -95.5347 203.611 -95.5348 -336.547 GPRESSURE: 1013800 -1.58971 37.2848 246.226 -49.6906 -90.0682 35.7915 214.696 -67.4643 -240.379 PRESSAVG: 1013800 67.0254 -35.1247 -36.9748 -35.1247 -42.8044 22.2709 -36.9748 22.271 45.5537 GPRESSAVG: 1013800 66.4074 -33.1586 -36.6839 -36.8937 -43.3872 21.9728 -35.7438 22.8901 46.4621 TIMING: 1013800 CPU: 3208.58, 0.00319189/step Wall: 3208.58, 0.00319189/step, 3.53431 hours remaining, 236.921875 MB of memory in use. ENERGY: 1013800 3965.8321 20379.0127 14380.4323 227.7643 -203498.6466 2582.8701 0.0000 0.0000 52139.3135 -109823.4217 299.6454 -161962.7352 -109451.3380 298.1944 -149.6469 -110.6791 760849.9915 23.2582 23.1608 PRESSURE: 1014000 82.7552 253.08 143.189 253.081 123.975 85.7888 143.188 85.7878 -90.3268 GPRESSURE: 1014000 75.6987 156.366 119.543 92.2846 84.2066 42.8985 162.747 53.3307 34.5727 PRESSAVG: 1014000 -2.01287 30.3344 44.5033 30.3344 -12.6663 13.0868 44.5032 13.0868 -0.46696 GPRESSAVG: 1014000 -2.47256 28.5861 43.8876 30.9625 -12.8261 13.1336 44.8975 12.9984 0.0524337 TIMING: 1014000 CPU: 3209.21, 0.00316989/step Wall: 3209.21, 0.00316989/step, 3.50977 hours remaining, 236.921875 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: 1014000 4044.6190 20531.5518 14455.0185 251.2787 -203708.2371 2723.2682 0.0000 0.0000 51872.4270 -109830.0739 298.1116 -161702.5009 -109472.8836 298.8988 38.8012 64.8260 759497.6487 -5.0487 -5.0821 PRESSURE: 1014200 108.224 167.255 137.349 167.256 280.726 -116.979 137.348 -116.979 69.9771 GPRESSURE: 1014200 109.968 226.163 144.357 75.9373 349.744 -127.169 24.0435 35.2876 70.5776 PRESSAVG: 1014200 32.1199 28.4166 38.025 28.4166 -35.8824 11.6475 38.0249 11.6475 3.93064 GPRESSAVG: 1014200 32.1983 29.3019 37.766 26.0024 -35.6678 13.766 36.1244 10.6905 3.46792 TIMING: 1014200 CPU: 3209.85, 0.0031846/step Wall: 3209.85, 0.0031846/step, 3.52588 hours remaining, 236.921875 MB of memory in use. ENERGY: 1014200 4025.2246 20410.1367 14451.4363 264.9827 -203435.4308 2563.7082 0.0000 0.0000 52050.2736 -109669.6687 299.1336 -161719.9424 -109309.4752 298.8429 152.9758 176.7633 761697.3927 0.0561 -0.0005 PRESSURE: 1014400 257.544 -173.488 -125.275 -173.487 -319.514 -198.012 -125.275 -198.012 220.935 GPRESSURE: 1014400 292.924 -33.1713 -91.0801 -144.817 -198.757 -212.907 -1.63789 20.5967 135.539 PRESSAVG: 1014400 54.2272 -8.0696 -4.81228 -8.06957 -35.9646 -2.86809 -4.81233 -2.86801 4.62921 GPRESSAVG: 1014400 53.4155 -9.46712 -4.52376 -7.18633 -34.5794 -5.32436 -3.43593 -1.09586 3.44482 TIMING: 1014400 CPU: 3210.48, 0.00316688/step Wall: 3210.48, 0.00316688/step, 3.50609 hours remaining, 236.921875 MB of memory in use. ENERGY: 1014400 3977.7429 20571.3691 14519.8604 272.9337 -203584.1330 2844.5519 0.0000 0.0000 51678.2580 -109719.4169 296.9957 -161397.6749 -109363.2645 298.7707 52.9887 76.5687 762057.6870 7.6306 7.4270 PRESSURE: 1014600 93.2797 103.754 -322.748 103.754 133.868 22.1287 -322.748 22.1281 58.3768 GPRESSURE: 1014600 105.168 113.625 -280.405 183.381 154.804 16.5009 -252.613 -37.6576 125.25 PRESSAVG: 1014600 15.463 -10.9433 30.1224 -10.9433 -33.9653 -11.1983 30.1223 -11.1983 -28.2876 GPRESSAVG: 1014600 15.6003 -9.8829 31.1775 -10.5545 -34.6442 -11.2429 29.6224 -11.3075 -27.9937 TIMING: 1014600 CPU: 3211.12, 0.00317292/step Wall: 3211.12, 0.00317293/step, 3.5126 hours remaining, 236.921875 MB of memory in use. ENERGY: 1014600 3916.4792 20283.2385 14471.0530 253.0530 -203358.2439 2530.6397 0.0000 0.0000 51927.2103 -109976.5702 298.4264 -161903.7805 -109618.0110 297.7912 95.1750 128.4074 761860.6251 -15.5967 -15.6792 PRESSURE: 1014800 108.212 14.5664 13.0761 14.567 136.97 120.945 13.0764 120.944 386.48 GPRESSURE: 1014800 138.326 92.1963 94.7576 53.7451 172.644 140.501 117.95 29.5259 409.254 PRESSAVG: 1014800 -47.7355 20.742 4.98464 20.7421 57.3759 -29.88 4.98465 -29.8801 5.78313 GPRESSAVG: 1014800 -47.8252 20.5805 4.28575 20.4188 57.0799 -27.8799 5.73275 -30.9471 6.40614 TIMING: 1014800 CPU: 3211.76, 0.00320331/step Wall: 3211.76, 0.0032033/step, 3.54606 hours remaining, 236.921875 MB of memory in use. ENERGY: 1014800 3994.4908 20442.7501 14462.7752 240.7202 -203469.0603 2577.9104 0.0000 0.0000 51741.7575 -110008.6561 297.3606 -161750.4135 -109653.1441 297.6470 210.5539 240.0749 760271.5237 5.1412 5.2203 PRESSURE: 1015000 -169.939 211.481 -169.755 211.481 19.7581 68.3393 -169.755 68.3392 -459.089 GPRESSURE: 1015000 -189.068 125.35 -182.514 203.044 55.9051 10.4156 -40.6183 101.756 -398.394 PRESSAVG: 1015000 6.73959 -23.5672 86.0379 -23.5672 28.0106 -13.7119 86.0378 -13.712 -4.40872 GPRESSAVG: 1015000 6.34519 -24.3994 84.7481 -22.6274 28.109 -16.2814 87.6346 -15.7737 -4.14366 TIMING: 1015000 CPU: 3212.39, 0.00318093/step Wall: 3212.39, 0.00318094/step, 3.52112 hours remaining, 236.921875 MB of memory in use. ENERGY: 1015000 3977.9472 20312.8355 14405.5266 246.8195 -203396.8905 2644.5738 0.0000 0.0000 51950.2906 -109858.8973 298.5590 -161809.1879 -109491.3986 298.1657 -203.0900 -177.1856 761394.0275 10.1138 10.1035 PRESSURE: 1015200 131.898 37.6169 117.168 37.6169 147.873 -49.2578 117.168 -49.2577 45.9824 GPRESSURE: 1015200 127.218 8.68487 101.265 -70.5509 227.471 -79.2357 168.403 -133.478 64.2971 PRESSAVG: 1015200 1.07234 -42.0452 35.0115 -42.0452 -4.61058 -40.9822 35.0115 -40.9822 -23.0192 GPRESSAVG: 1015200 0.553394 -42.0481 37.1067 -41.2252 -3.93437 -40.7902 31.8211 -38.6139 -23.203 TIMING: 1015200 CPU: 3213.03, 0.00319487/step Wall: 3213.03, 0.00319487/step, 3.53637 hours remaining, 236.921875 MB of memory in use. ENERGY: 1015200 4013.1801 20304.6412 14515.5534 253.1762 -203098.9068 2345.3417 0.0000 0.0000 51916.4508 -109750.5633 298.3646 -161667.0141 -109389.4171 297.8778 108.5846 139.6618 759863.7435 -8.8525 -8.8613 PRESSURE: 1015400 -182.541 -158.726 72.2463 -158.726 49.9914 -160.545 72.2465 -160.546 -92.4597 GPRESSURE: 1015400 -136.424 -82.9766 32.911 -116.892 40.9733 -148.824 89.8998 -121.785 -46.1418 PRESSAVG: 1015400 7.9176 -15.8921 52.8525 -15.892 -8.92962 -22.9394 52.8525 -22.9395 -4.95533 GPRESSAVG: 1015400 9.25507 -16.6216 50.7593 -14.6461 -9.42332 -23.045 55.5263 -22.9627 -5.30395 TIMING: 1015400 CPU: 3213.66, 0.00316365/step Wall: 3213.66, 0.00316365/step, 3.50164 hours remaining, 236.921875 MB of memory in use. ENERGY: 1015400 3946.6181 20210.5144 14487.0627 238.6997 -202853.1437 2203.1965 0.0000 0.0000 51974.3526 -109792.6999 298.6973 -161767.0525 -109433.4554 298.3074 -75.0031 -47.1976 761655.9160 -1.9891 -1.8241 PRESSURE: 1015600 -94.1033 -74.5616 48.6257 -74.5612 -357.367 150.108 48.6261 150.108 -429.301 GPRESSURE: 1015600 -123.739 -45.9079 22.7353 -235.008 -350.623 99.3181 -10.7077 239.758 -339.692 PRESSAVG: 1015600 55.8577 -58.5886 5.1685 -58.5886 -53.2528 2.99833 5.16851 2.99839 -2.95519 GPRESSAVG: 1015600 56.3348 -57.1138 6.63535 -59.6362 -53.4686 2.72905 2.30329 4.05306 -3.4478 TIMING: 1015600 CPU: 3214.29, 0.00314758/step Wall: 3214.29, 0.00314758/step, 3.48368 hours remaining, 236.921875 MB of memory in use. ENERGY: 1015600 4047.8569 20298.1304 14461.3122 251.0237 -202835.6098 2251.8448 0.0000 0.0000 51955.2840 -109570.1577 298.5877 -161525.4416 -109212.9088 297.8890 -293.5905 -271.3515 761821.7728 -0.1167 -0.1938 PRESSURE: 1015800 255.338 -42.6289 67.2767 -42.6291 -242.765 -48.4033 67.2766 -48.4031 268.483 GPRESSURE: 1015800 233.804 2.75615 43.7383 97.8753 -78.8669 -143.88 78.7678 -64.3821 222.565 PRESSAVG: 1015800 27.0849 -54.9577 -50.2685 -54.9576 -33.3385 -39.583 -50.2686 -39.583 -1.42289 GPRESSAVG: 1015800 26.6689 -54.9984 -51.4322 -55.927 -32.3442 -38.2597 -49.9627 -41.3883 -1.72394 TIMING: 1015800 CPU: 3214.93, 0.00317166/step Wall: 3214.93, 0.00317166/step, 3.51014 hours remaining, 236.921875 MB of memory in use. ENERGY: 1015800 3919.3308 20436.6758 14472.8529 244.6388 -202933.9364 2342.1436 0.0000 0.0000 51881.6103 -109636.6842 298.1643 -161518.2945 -109275.6915 298.5107 93.6854 125.8340 760245.9199 -2.5588 -2.4664 PRESSURE: 1016000 -208.659 -360.555 -80.258 -360.555 41.0546 80.5814 -80.2584 80.5819 -96.3088 GPRESSURE: 1016000 -194.842 -367.743 -127.081 -274.151 98.7129 91.0965 67.216 77.5812 -82.5291 PRESSAVG: 1016000 5.45253 -33.5467 -10.0846 -33.5467 -10.5664 -40.1707 -10.0846 -40.1707 7.7394 GPRESSAVG: 1016000 6.19654 -32.4171 -10.5078 -34.3324 -12.2069 -39.5879 -8.69054 -38.4734 8.935 TIMING: 1016000 CPU: 3215.56, 0.00316514/step Wall: 3215.56, 0.00316514/step, 3.50276 hours remaining, 236.921875 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: 1016000 3992.1790 20362.8310 14476.5203 254.4218 -203445.8201 2869.8579 0.0000 0.0000 51957.3193 -109532.6908 298.5994 -161490.0101 -109170.0778 298.4454 -87.9712 -59.5528 761399.8831 0.8752 0.9749 PRESSURE: 1016200 -209.13 29.7647 -70.4782 29.7654 -2.76479 -228.568 -70.4784 -228.567 -137.962 GPRESSURE: 1016200 -196.569 -109.076 36.3127 128.876 84.6212 -262.689 -106.038 -120.646 -150.349 PRESSAVG: 1016200 -40.1101 -40.3787 -45.992 -40.3787 25.7269 7.14217 -45.9921 7.14222 3.34693 GPRESSAVG: 1016200 -41.3216 -41.2197 -43.8108 -39.6247 27.7805 7.38747 -46.7222 6.57338 3.26429 TIMING: 1016200 CPU: 3216.2, 0.00317959/step Wall: 3216.2, 0.00317959/step, 3.51857 hours remaining, 236.921875 MB of memory in use. ENERGY: 1016200 3980.6185 20478.5124 14451.7941 231.7049 -203298.2465 2759.7622 0.0000 0.0000 51826.5746 -109569.2800 297.8480 -161395.8545 -109223.8428 298.5015 -116.6191 -87.4322 762290.2809 -3.6788 -3.4256 LDB: ============= START OF LOAD BALANCING ============== 3228.65 LDB: ============== END OF LOAD BALANCING =============== 3228.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3228.65 LDB: ============= START OF LOAD BALANCING ============== 3228.97 LDB: Largest compute 7032 load 0.039263 is 20.1% of average load 0.195103 LDB: Average compute 0.004415 is 2.3% of average load 0.195103 LDB: TIME 3228.98 LOAD: AVG 0.195103 MAX 0.215471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.898 MB LDB: TIME 3228.98 LOAD: AVG 0.195103 MAX 0.215471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: TIME 3228.98 LOAD: AVG 0.195103 MAX 0.215471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: ============== END OF LOAD BALANCING =============== 3228.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3228.98 PRESSURE: 1016400 226.845 -75.4312 199.896 -75.4324 26.5472 39.6892 199.895 39.69 118.151 GPRESSURE: 1016400 335.811 -56.9507 132.066 -172.597 64.8458 118.096 -49.4776 59.3654 55.4821 PRESSAVG: 1016400 49.1894 -31.8405 4.4443 -31.8405 -38.7519 26.177 4.44439 26.1771 -15.9215 GPRESSAVG: 1016400 49.8646 -33.8595 3.56782 -31.8634 -39.9731 24.8789 4.98507 26.0488 -15.4383 TIMING: 1016400 CPU: 3216.85, 0.00325072/step Wall: 3216.85, 0.00325072/step, 3.5971 hours remaining, 237.035156 MB of memory in use. ENERGY: 1016400 3963.1695 20463.3839 14390.6905 233.3159 -203447.4223 2731.4510 0.0000 0.0000 51973.3764 -109692.0353 298.6917 -161665.4117 -109338.1913 298.2917 123.8475 152.0464 762828.9495 -1.8280 -1.8489 PRESSURE: 1016600 -352.39 -19.8533 -69.9588 -19.8526 -166.426 31.489 -69.9582 31.4892 -90.4837 GPRESSURE: 1016600 -311.62 -87.8031 -35.481 -1.60528 -99.5782 76.5632 -50.7888 -140.124 -111.759 PRESSAVG: 1016600 17.2213 -15.3915 -12.6049 -15.3915 29.1486 -56.2154 -12.6049 -56.2155 -22.3473 GPRESSAVG: 1016600 18.1274 -13.6958 -12.0562 -14.9775 30.8213 -55.1635 -12.507 -56.3203 -25.2606 TIMING: 1016600 CPU: 3217.48, 0.00317375/step Wall: 3217.48, 0.00317375/step, 3.51175 hours remaining, 237.179688 MB of memory in use. ENERGY: 1016600 3932.7925 20492.1137 14503.8741 250.2315 -203566.3155 2720.9000 0.0000 0.0000 52032.5575 -109633.8462 299.0318 -161666.4037 -109275.9741 298.4467 -203.0997 -174.3192 762835.3305 8.0075 7.8960 PRESSURE: 1016800 226.333 -46.6541 119.21 -46.6541 38.6522 32.1591 119.21 32.1588 286.682 GPRESSURE: 1016800 252.208 -134.787 145.513 8.69301 33.5389 127.696 41.8315 -26.3123 351.017 PRESSAVG: 1016800 -40.9835 4.35375 -7.04663 4.35371 89.4797 -15.3294 -7.04661 -15.3294 -11.386 GPRESSAVG: 1016800 -42.977 4.44509 -9.11568 2.88105 89.004 -16.784 -8.89372 -14.5227 -9.04076 TIMING: 1016800 CPU: 3218.11, 0.00315631/step Wall: 3218.11, 0.00315631/step, 3.49228 hours remaining, 237.179688 MB of memory in use. ENERGY: 1016800 3972.9274 20458.2133 14462.6557 258.9606 -203531.1348 2720.1283 0.0000 0.0000 52166.9169 -109491.3326 299.8040 -161658.2495 -109139.7731 299.1466 183.8893 212.2548 761829.0774 12.3701 12.3287 PRESSURE: 1017000 -155.875 -63.2033 -120.053 -63.2018 98.6347 -71.5107 -120.053 -71.5106 -181.449 GPRESSURE: 1017000 -97.102 -14.7999 -133.036 14.5514 126.292 -99.7821 -7.84572 -86.1239 -177.618 PRESSAVG: 1017000 38.5964 -12.2151 6.37874 -12.2151 5.79562 -24.2088 6.37876 -24.2088 7.97221 GPRESSAVG: 1017000 40.1479 -13.1028 7.68493 -8.31235 5.76792 -21.844 8.60401 -25.6051 6.86448 TIMING: 1017000 CPU: 3218.74, 0.00315027/step Wall: 3218.74, 0.00315027/step, 3.48542 hours remaining, 237.179688 MB of memory in use. ENERGY: 1017000 3980.9879 20465.9376 14510.4838 262.9275 -203548.7807 2625.8535 0.0000 0.0000 52197.9966 -109504.5938 299.9826 -161702.5904 -109146.4325 299.4826 -79.5631 -49.4760 761789.4114 17.4547 17.5934 PRESSURE: 1017200 67.1045 59.8877 67.361 59.8878 -211.444 -216.761 67.3614 -216.761 -311.392 GPRESSURE: 1017200 78.4283 15.0823 97.2579 140.712 -167.024 -315.589 84.676 -112.638 -263.203 PRESSAVG: 1017200 5.99661 21.1656 0.362894 21.1657 -27.1029 1.26524 0.362872 1.26537 -15.1981 GPRESSAVG: 1017200 6.79072 23.0817 0.961988 18.1322 -27.6933 -1.20416 -0.745446 2.87546 -15.3506 TIMING: 1017200 CPU: 3219.37, 0.00315983/step Wall: 3219.37, 0.00315983/step, 3.49582 hours remaining, 237.179688 MB of memory in use. ENERGY: 1017200 4024.3187 20373.4798 14448.6926 264.4533 -203053.0451 2238.9895 0.0000 0.0000 52261.7361 -109441.3750 300.3489 -161703.1111 -109074.1439 299.0396 -151.9105 -117.2664 762959.6503 -12.1015 -12.0844 PRESSURE: 1017400 156.093 66.2875 40.17 66.2874 -293.164 93.7331 40.1697 93.7324 -6.94287 GPRESSURE: 1017400 120.677 54.5145 51.9991 -7.6604 -214.513 74.8704 -91.6107 135.36 28.4875 PRESSAVG: 1017400 35.7692 -80.1291 -13.1418 -80.1291 0.266219 17.7548 -13.1417 17.7548 -10.9323 GPRESSAVG: 1017400 35.0808 -80.6796 -13.4224 -79.5643 0.77423 16.9825 -12.9252 17.4182 -10.1324 TIMING: 1017400 CPU: 3220.01, 0.00316021/step Wall: 3220.01, 0.00316021/step, 3.49607 hours remaining, 237.179688 MB of memory in use. ENERGY: 1017400 4027.7426 20303.2378 14482.8759 248.8971 -202713.2722 2337.0289 0.0000 0.0000 51929.7687 -109383.7211 298.4411 -161313.4898 -109022.6232 299.2798 -48.0049 -21.7827 762997.0604 8.3677 8.5742 PRESSURE: 1017600 -31.0673 130.951 -176.004 130.95 -480.197 290.485 -176.004 290.485 -439.678 GPRESSURE: 1017600 43.8076 149.529 -92.9448 159.308 -431.622 339.329 -110.33 229.101 -471.53 PRESSAVG: 1017600 85.7353 -29.274 -28.4226 -29.274 -75.3091 60.2473 -28.4227 60.2473 -6.72923 GPRESSAVG: 1017600 86.3345 -28.9468 -30.3041 -31.2051 -75.6837 60.7939 -29.8907 60.5895 -7.06047 TIMING: 1017600 CPU: 3220.64, 0.00314617/step Wall: 3220.64, 0.00314617/step, 3.48036 hours remaining, 237.179688 MB of memory in use. ENERGY: 1017600 4111.3316 20449.6363 14416.7803 262.0317 -203394.5154 2688.2901 0.0000 0.0000 51981.9590 -109484.4864 298.7410 -161466.4455 -109116.9507 299.2054 -316.9808 -286.4482 763668.2546 1.2324 1.1968 PRESSURE: 1017800 -289.225 182.163 35.2304 182.164 -370.888 -94.2999 35.2299 -94.2992 -233.065 GPRESSURE: 1017800 -271.748 143.828 -3.09216 199.419 -362.787 -169.526 130.42 -42.9217 -176.401 PRESSAVG: 1017800 2.77718 4.08335 -6.83277 4.08338 -20.093 -3.27639 -6.83274 -3.27642 -3.45896 GPRESSAVG: 1017800 2.75777 5.17262 -7.40415 4.65685 -19.661 -2.3736 -3.79464 -5.0319 -3.69427 TIMING: 1017800 CPU: 3221.27, 0.003163/step Wall: 3221.27, 0.003163/step, 3.4988 hours remaining, 237.179688 MB of memory in use. ENERGY: 1017800 3988.6894 20481.2932 14416.9219 247.2986 -203404.6043 2669.1398 0.0000 0.0000 51901.3318 -109699.9297 298.2777 -161601.2614 -109354.6107 299.0647 -297.7263 -270.3118 763780.0906 -6.9249 -6.8658 PRESSURE: 1018000 -58.7272 57.5891 -63.5382 57.5896 -216.083 -127.312 -63.5381 -127.311 -136.08 GPRESSURE: 1018000 -41.2615 16.405 21.9181 -7.10409 -232.32 -118.36 -87.6493 -175.908 -55.8221 PRESSAVG: 1018000 18.4898 -30.2837 41.3571 -30.2838 -31.2174 21.1565 41.3571 21.1565 4.35723 GPRESSAVG: 1018000 17.0053 -31.6815 42.4079 -29.8309 -30.7247 21.0427 39.1284 23.0602 5.84808 TIMING: 1018000 CPU: 3221.9, 0.00317669/step Wall: 3221.9, 0.00317669/step, 3.51378 hours remaining, 237.179688 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: 1018000 4015.6997 20434.7615 14572.4720 253.0095 -203290.1082 2506.2733 0.0000 0.0000 51919.2566 -109588.6356 298.3807 -161507.8922 -109223.5084 298.9813 -136.9636 -109.8011 762416.8068 -2.7901 -2.6238 PRESSURE: 1018200 82.1833 182.347 -223.67 182.348 -250.53 215.042 -223.67 215.042 -155.545 GPRESSURE: 1018200 60.8129 165.906 -142.424 221.317 -257.195 298.015 -197.079 296.292 -62.1021 PRESSAVG: 1018200 97.7093 8.9902 -40.3526 8.99017 -110.967 -60.4955 -40.3526 -60.4954 -1.26242 GPRESSAVG: 1018200 97.9946 9.84218 -40.6743 9.67702 -110.629 -59.5307 -37.2568 -63.169 -1.86841 TIMING: 1018200 CPU: 3222.54, 0.003161/step Wall: 3222.54, 0.003161/step, 3.49624 hours remaining, 237.179688 MB of memory in use. ENERGY: 1018200 3946.4924 20480.8801 14511.1002 259.4417 -203564.9822 2787.1371 0.0000 0.0000 52107.9717 -109471.9589 299.4652 -161579.9306 -109107.3098 298.5162 -107.9640 -86.1613 762477.5313 -4.8400 -4.8344 PRESSURE: 1018400 -96.7083 -55.1238 112.414 -55.1243 -43.9689 64.4547 112.413 64.4546 -344.95 GPRESSURE: 1018400 -147.929 -10.1146 158.55 -23.7988 -14.8165 16.5331 -8.90535 13.1526 -255.522 PRESSAVG: 1018400 19.6777 69.1238 -73.5809 69.1239 -53.5921 -27.586 -73.581 -27.5859 2.5913 GPRESSAVG: 1018400 20.0869 66.4678 -73.1271 70.1788 -54.9366 -28.9145 -76.7592 -27.0779 3.46924 TIMING: 1018400 CPU: 3223.17, 0.00315296/step Wall: 3223.17, 0.00315296/step, 3.48718 hours remaining, 237.179688 MB of memory in use. ENERGY: 1018400 4032.6219 20531.1281 14463.0831 246.4176 -203235.1728 2548.0289 0.0000 0.0000 52007.1380 -109406.7552 298.8857 -161413.8932 -109049.6396 299.0263 -161.8757 -139.4225 761920.7800 -10.4410 -10.4602 PRESSURE: 1018600 -360.485 167.3 -132.411 167.301 94.029 125.408 -132.411 125.407 -231.309 GPRESSURE: 1018600 -280.316 104.559 -121.672 149.245 49.5801 76.1167 -139.916 200.382 -204 PRESSAVG: 1018600 -23.0081 -3.49678 -5.91069 -3.49683 22.0088 29.1458 -5.9107 29.1458 -13.5335 GPRESSAVG: 1018600 -22.0161 -2.22476 -4.98625 -4.25297 21.9597 29.6664 -6.99952 29.9731 -14.8412 TIMING: 1018600 CPU: 3223.8, 0.00316148/step Wall: 3223.8, 0.00316148/step, 3.49642 hours remaining, 237.179688 MB of memory in use. ENERGY: 1018600 3966.1157 20496.7128 14501.3437 240.7826 -203252.9414 2526.1258 0.0000 0.0000 52242.2548 -109279.6061 300.2370 -161521.8609 -108913.8726 299.4022 -165.9217 -144.9117 762097.3088 -4.8442 -4.9659 PRESSURE: 1018800 -237.792 40.2656 -20.1247 40.2646 -110.479 -164.001 -20.1248 -164.001 -201.198 GPRESSURE: 1018800 -131.4 -47.4877 -30.0026 -81.5799 -137.98 -198.383 -51.8671 -166.141 -166.252 PRESSAVG: 1018800 15.1942 40.2801 -49.6681 40.2801 -26.5422 13.5082 -49.6681 13.5082 4.49373 GPRESSAVG: 1018800 14.9995 38.9661 -52.2836 39.593 -26.1846 12.6313 -46.3945 12.7101 4.70612 TIMING: 1018800 CPU: 3224.43, 0.00317776/step Wall: 3224.43, 0.00317776/step, 3.51424 hours remaining, 237.179688 MB of memory in use. ENERGY: 1018800 3997.3265 20544.3941 14477.6111 247.2418 -203416.9114 2679.4766 0.0000 0.0000 52182.4218 -109288.4395 299.8931 -161470.8613 -108931.3982 299.5302 -183.1565 -145.2107 762774.9513 -2.2848 -2.1596 PRESSURE: 1019000 -41.2509 -113.18 105.154 -113.18 -70.15 -325.448 105.155 -325.448 138.902 GPRESSURE: 1019000 74.3962 -103.696 194.407 -82.2189 -120.091 -296.683 46.749 -203.89 175.717 PRESSAVG: 1019000 -28.3779 7.65622 30.5966 7.65624 -22.9075 -34.9867 30.5966 -34.9867 -0.521702 GPRESSAVG: 1019000 -26.6611 8.57815 32.2449 9.67958 -24.2616 -33.7927 30.6011 -35.5189 -1.65974 TIMING: 1019000 CPU: 3225.07, 0.00316088/step Wall: 3225.07, 0.00316088/step, 3.4954 hours remaining, 237.179688 MB of memory in use. ENERGY: 1019000 3986.7316 20549.7671 14505.9300 241.7509 -203241.5784 2446.8195 0.0000 0.0000 52195.3753 -109315.2040 299.9675 -161510.5793 -108956.6014 299.6140 9.1671 43.3407 761475.7843 -17.2690 -17.5275 PRESSURE: 1019200 -226.119 -132.264 150.3 -132.263 -151.194 65.1355 150.301 65.1346 -151.04 GPRESSURE: 1019200 -119.696 -114.248 90.4913 -137.08 -70.0965 41.5353 39.416 10.4808 -269.26 PRESSAVG: 1019200 69.4657 -0.36764 5.71936 -0.367691 -31.3156 -30.2048 5.7194 -30.2048 39.2395 GPRESSAVG: 1019200 68.6072 0.167043 5.60259 -3.1601 -30.7798 -29.8519 5.61501 -29.1811 39.845 TIMING: 1019200 CPU: 3225.7, 0.0031571/step Wall: 3225.7, 0.0031571/step, 3.49106 hours remaining, 237.179688 MB of memory in use. ENERGY: 1019200 4032.1652 20704.4900 14585.7929 246.9112 -203166.0151 2475.2676 0.0000 0.0000 51761.0031 -109360.3851 297.4712 -161121.3883 -109003.4661 299.1894 -176.1177 -153.0172 763388.5560 25.7965 25.8908 PRESSURE: 1019400 -71.5833 -121.283 161.76 -121.283 -188.05 121.589 161.761 121.589 -164.578 GPRESSURE: 1019400 -68.1928 -28.3339 68.2038 -62.9741 -128.503 118.326 85.401 97.2354 -143.074 PRESSAVG: 1019400 37.1715 -5.61629 46.536 -5.61635 -62.7361 -37.0735 46.536 -37.0734 2.04216 GPRESSAVG: 1019400 36.673 -8.96598 45.8182 -2.24077 -62.5762 -37.7555 45.4609 -36.9696 2.4174 TIMING: 1019400 CPU: 3226.33, 0.00314051/step Wall: 3226.33, 0.00314051/step, 3.47253 hours remaining, 237.179688 MB of memory in use. ENERGY: 1019400 4074.0991 20417.9676 14520.0395 264.8761 -202988.4001 2518.9165 0.0000 0.0000 52035.8389 -109156.6623 299.0507 -161192.5012 -108801.3624 299.1084 -141.4039 -113.2566 763594.2093 -7.8408 -7.8286 PRESSURE: 1019600 -31.5119 -171.977 -34.6056 -171.975 -120.543 96.8053 -34.6044 96.8055 -95.6984 GPRESSURE: 1019600 106.396 -166.431 -24.0102 -214.661 -198.007 152.999 38.3638 -34.2822 -84.6271 PRESSAVG: 1019600 25.9645 -23.6873 13.4426 -23.6872 -34.1778 -32.6002 13.4426 -32.6002 -21.5236 GPRESSAVG: 1019600 26.7257 -20.0123 15.399 -26.2275 -34.6402 -30.2168 12.874 -34.0269 -21.439 TIMING: 1019600 CPU: 3226.96, 0.0031478/step Wall: 3226.96, 0.0031478/step, 3.48042 hours remaining, 237.179688 MB of memory in use. ENERGY: 1019600 4010.0808 20465.3838 14619.9625 244.7227 -203131.1619 2569.8060 0.0000 0.0000 51810.4185 -109410.7875 297.7552 -161221.2060 -109055.2194 298.9024 -82.5845 -58.7460 763576.7939 -9.9123 -9.7845 PRESSURE: 1019800 -48.0021 -33.0201 -18.1101 -33.0196 261.892 86.9965 -18.1102 86.996 118.536 GPRESSURE: 1019800 43.8428 20.3508 -41.5835 -8.44855 194.305 56.6371 -100.599 53.8543 172.341 PRESSAVG: 1019800 1.00722 -44.6817 13.2833 -44.6817 -15.0511 -12.2756 13.2833 -12.2755 6.56669 GPRESSAVG: 1019800 2.43285 -44.6633 13.4949 -43.4373 -16.2852 -14.877 13.3969 -10.1341 6.92389 TIMING: 1019800 CPU: 3227.58, 0.0031406/step Wall: 3227.58, 0.00314061/step, 3.47229 hours remaining, 237.179688 MB of memory in use. ENERGY: 1019800 4086.7106 20424.0384 14519.5755 232.3857 -203132.0745 2585.2648 0.0000 0.0000 52044.9653 -109239.1342 299.1031 -161284.0996 -108882.4700 299.4707 110.8087 136.8293 760724.9228 -2.4924 -2.3095 PRESSURE: 1020000 73.1625 17.0693 -114.104 17.0712 -305.764 110.049 -114.104 110.048 -102.288 GPRESSURE: 1020000 162.365 -0.142869 -123.902 3.03533 -321.549 133.579 -7.19872 166.504 -77.885 PRESSAVG: 1020000 42.9083 4.00811 52.808 4.00812 -32.5092 -36.8043 52.808 -36.8044 -2.64557 GPRESSAVG: 1020000 41.9022 -0.0742277 51.7433 6.68641 -32.0285 -35.2528 52.8696 -38.6831 -2.32286 TIMING: 1020000 CPU: 3228.21, 0.0031412/step Wall: 3228.21, 0.0031412/step, 3.47277 hours remaining, 237.179688 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: 1020000 4052.9617 20452.4221 14510.4183 242.5441 -203002.9581 2348.2117 0.0000 0.0000 51998.3248 -109398.0753 298.8351 -161396.4001 -109046.3628 300.0721 -111.6298 -79.0231 760950.3478 2.5845 2.5170 PRESSURE: 1020200 88.4625 -0.24505 58.1151 -0.244836 149.312 1.74905 58.1151 1.74823 57.8471 GPRESSURE: 1020200 42.0846 -29.989 99.0971 66.6956 204.049 -45.1436 -31.1723 53.9809 127.431 PRESSAVG: 1020200 -16.1535 37.6281 -19.3815 37.6282 14.1602 -16.8753 -19.3815 -16.8753 7.72011 GPRESSAVG: 1020200 -16.2318 39.198 -19.1539 34.3193 14.7687 -18.915 -19.9641 -15.6683 6.66844 TIMING: 1020200 CPU: 3228.84, 0.00314279/step Wall: 3228.84, 0.00314279/step, 3.47436 hours remaining, 237.179688 MB of memory in use. ENERGY: 1020200 3925.6689 20486.0377 14496.6790 277.3171 -203224.3788 2751.3063 0.0000 0.0000 51826.7802 -109460.5897 297.8492 -161287.3699 -109083.2092 299.4874 98.5404 124.5216 759691.7749 1.9089 1.7351 LDB: ============= START OF LOAD BALANCING ============== 3241.29 LDB: ============== END OF LOAD BALANCING =============== 3241.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3241.29 LDB: ============= START OF LOAD BALANCING ============== 3241.61 LDB: Largest compute 7032 load 0.037110 is 19.0% of average load 0.195119 LDB: Average compute 0.004410 is 2.3% of average load 0.195119 LDB: TIME 3241.61 LOAD: AVG 0.195119 MAX 0.216678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.008 MB LDB: TIME 3241.61 LOAD: AVG 0.195119 MAX 0.216678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.008 MB LDB: TIME 3241.61 LOAD: AVG 0.195119 MAX 0.216678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.008 MB LDB: ============== END OF LOAD BALANCING =============== 3241.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3241.62 PRESSURE: 1020400 -32.4136 -210.529 263.791 -210.529 290.732 -5.95884 263.792 -5.9589 280.679 GPRESSURE: 1020400 56.0079 -153.477 203.161 -141.139 307.667 -19.8074 326.529 -122.757 263.577 PRESSAVG: 1020400 49.5529 20.2255 -3.74177 20.2255 -29.988 6.25694 -3.74179 6.25701 13.0023 GPRESSAVG: 1020400 49.3753 19.3657 -4.76873 20.8367 -30.9986 6.96521 -2.05805 5.65794 14.2047 TIMING: 1020400 CPU: 3229.48, 0.00322091/step Wall: 3229.48, 0.00322091/step, 3.56054 hours remaining, 238.585938 MB of memory in use. ENERGY: 1020400 3973.6140 20384.9630 14504.6634 237.6119 -203668.4681 3032.3873 0.0000 0.0000 52056.1732 -109479.0552 299.1675 -161535.2284 -109119.5544 299.0742 179.6658 209.0840 761997.0741 10.8557 10.8605 PRESSURE: 1020600 -159.539 46.7796 -109.288 46.7809 -143.14 -1.97252 -109.288 -1.97167 -235.52 GPRESSURE: 1020600 -68.7937 174.947 -50.2711 34.9592 -141.269 -57.5044 -266.206 -71.9559 -246.36 PRESSAVG: 1020600 8.14851 -6.70418 10.7292 -6.70418 -72.8036 -15.5945 10.7292 -15.5946 8.21002 GPRESSAVG: 1020600 7.73287 -6.26021 12.7268 -6.61139 -73.1533 -16.5844 10.9994 -14.1406 8.78932 TIMING: 1020600 CPU: 3230.12, 0.00318018/step Wall: 3230.12, 0.00318018/step, 3.51534 hours remaining, 238.585938 MB of memory in use. ENERGY: 1020600 4018.6700 20537.0051 14521.6359 248.7718 -203531.7231 2493.6057 0.0000 0.0000 52316.6286 -109395.4060 300.6644 -161712.0346 -109030.8868 299.0887 -179.3998 -152.1406 761465.6458 -18.8150 -18.8770 PRESSURE: 1020800 -16.2467 101.278 -224.725 101.28 -13.4649 -28.5858 -224.725 -28.5867 253.908 GPRESSURE: 1020800 87.9033 136.549 -305.03 35.8624 -48.5258 -173.945 -274.321 61.177 274.573 PRESSAVG: 1020800 23.8794 32.6493 -16.9712 32.6493 -21.3328 3.93069 -16.9712 3.93074 43.7612 GPRESSAVG: 1020800 25.6108 35.5116 -18.6248 31.2951 -22.6591 5.148 -18.0784 0.935669 43.172 TIMING: 1020800 CPU: 3230.75, 0.00316682/step Wall: 3230.75, 0.00316682/step, 3.50039 hours remaining, 238.722656 MB of memory in use. ENERGY: 1020800 4072.4462 20546.7377 14567.1081 243.6755 -203418.8327 2690.2836 0.0000 0.0000 52112.9681 -109185.6135 299.4939 -161298.5816 -108832.4318 299.6667 74.7322 104.6501 760341.2764 15.4360 15.3746 PRESSURE: 1021000 36.9977 -7.94945 58.0227 -7.95009 -66.3108 -219.393 58.0229 -219.393 304.662 GPRESSURE: 1021000 76.3405 -34.3238 71.3948 -102.598 16.0632 -195.38 116.788 -81.2351 271.293 PRESSAVG: 1021000 28.8631 -1.90579 22.1484 -1.90579 -7.47828 8.8782 22.1484 8.87821 37.8321 GPRESSAVG: 1021000 27.528 -4.55607 23.2159 -1.59328 -6.28994 8.63378 22.1302 11.2536 37.9554 TIMING: 1021000 CPU: 3231.39, 0.00315951/step Wall: 3231.39, 0.00315951/step, 3.49213 hours remaining, 238.722656 MB of memory in use. ENERGY: 1021000 3956.3979 20427.2164 14646.8468 262.4960 -203541.8686 2686.4761 0.0000 0.0000 52205.0655 -109357.3699 300.0232 -161562.4354 -108997.9632 299.7658 91.7830 121.2323 762429.3897 19.7390 19.7311 PRESSURE: 1021200 33.3874 -12.1769 -55.6585 -12.1773 -153.049 198.103 -55.6579 198.102 -264.758 GPRESSURE: 1021200 35.182 33.7074 26.6521 -38.5078 -95.4508 94.3199 -22.9933 196.147 -244.224 PRESSAVG: 1021200 -17.186 -14.7242 21.2116 -14.7242 32.2461 -0.0677229 21.2116 -0.0677739 2.47501 GPRESSAVG: 1021200 -16.5481 -14.0564 21.6357 -14.0564 33.2608 -0.313701 21.8837 -1.6319 1.31025 TIMING: 1021200 CPU: 3232.01, 0.00313925/step Wall: 3232.01, 0.00313925/step, 3.46957 hours remaining, 238.925781 MB of memory in use. ENERGY: 1021200 4016.3462 20370.3059 14547.7510 247.1492 -203400.0678 2765.6507 0.0000 0.0000 51979.3456 -109473.5193 298.7260 -161452.8649 -109109.8081 299.0144 -128.1400 -101.4976 763012.5288 5.8450 6.0077 PRESSURE: 1021400 -305.052 -7.50358 -12.3455 -7.50306 -164.22 -199.14 -12.3446 -199.14 -584.288 GPRESSURE: 1021400 -367.359 -77.3239 -86.0138 -132.152 -161.664 -132.337 33.468 -147.064 -441.009 PRESSAVG: 1021400 -38.0232 -15.3359 -9.48753 -15.3359 -12.0711 46.3177 -9.48755 46.3177 4.87808 GPRESSAVG: 1021400 -38.8684 -13.9364 -10.179 -17.9529 -12.0717 46.4539 -7.66874 47.9205 5.79711 TIMING: 1021400 CPU: 3232.64, 0.00314275/step Wall: 3232.64, 0.00314275/step, 3.47326 hours remaining, 238.925781 MB of memory in use. ENERGY: 1021400 3992.9697 20346.5313 14566.8264 232.3040 -202783.7039 2259.7987 0.0000 0.0000 52133.1287 -109252.1452 299.6098 -161385.2739 -108889.3112 299.4321 -351.1865 -323.3439 762941.4986 -15.0721 -15.0477 PRESSURE: 1021600 -323.39 98.0478 -111.303 98.0488 -207.289 12.3442 -111.302 12.3454 197.833 GPRESSURE: 1021600 -270.431 -20.0758 -90.8631 53.797 -187.585 -2.32051 -116.017 -32.6521 215.581 PRESSAVG: 1021600 -67.9333 24.648 -28.4468 24.6479 63.5128 1.61635 -28.4468 1.61636 14.9154 GPRESSAVG: 1021600 -67.9731 24.9857 -26.6594 27.3284 63.5968 2.41518 -31.9726 1.12347 14.3934 TIMING: 1021600 CPU: 3233.27, 0.00315813/step Wall: 3233.27, 0.00315813/step, 3.49009 hours remaining, 238.925781 MB of memory in use. ENERGY: 1021600 4009.3692 20407.6875 14515.4155 258.7650 -202715.6239 2354.3703 0.0000 0.0000 51907.2343 -109262.7821 298.3116 -161170.0164 -108900.9549 300.0173 -110.9487 -80.8115 764983.5419 3.4983 3.3391 PRESSURE: 1021800 203.894 64.2478 53.9938 64.2475 264.923 -6.83061 53.9928 -6.83109 248.985 GPRESSURE: 1021800 146.494 44.7179 122.402 74.27 223.481 95.6765 71.9169 15.3556 424.343 PRESSAVG: 1021800 -59.613 69.575 -18.8626 69.5749 47.8562 6.66963 -18.8625 6.66965 10.3867 GPRESSAVG: 1021800 -59.3592 68.1762 -21.4762 70.8532 48.4012 7.0206 -18.0084 6.4112 10.0322 TIMING: 1021800 CPU: 3233.91, 0.00315487/step Wall: 3233.91, 0.00315487/step, 3.4863 hours remaining, 238.925781 MB of memory in use. ENERGY: 1021800 3989.0946 20370.8679 14533.5831 237.7744 -203390.1251 2916.9728 0.0000 0.0000 52059.5822 -109282.2501 299.1871 -161341.8323 -108923.0674 299.2115 239.2674 264.7725 762775.9183 -0.4567 -0.3086 PRESSURE: 1022000 -186.629 198.757 209.931 198.758 -174.688 33.5698 209.93 33.5701 -411.405 GPRESSURE: 1022000 -117.214 145.59 115.314 145.554 -176.794 18.1742 201.387 121.927 -390.102 PRESSAVG: 1022000 -27.4053 11.3315 25.8607 11.3315 11.3218 -20.196 25.8607 -20.1959 -2.66044 GPRESSAVG: 1022000 -27.9587 12.7689 27.2904 9.44601 11.6483 -22.0653 24.6195 -19.2594 -2.44868 TIMING: 1022000 CPU: 3234.54, 0.00315925/step Wall: 3234.54, 0.00315925/step, 3.49097 hours remaining, 238.925781 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: 1022000 3993.3384 20594.1670 14455.6086 248.2418 -202778.6696 2217.3519 0.0000 0.0000 51885.3896 -109384.5724 298.1860 -161269.9619 -109023.9931 299.2005 -257.5741 -228.0365 763542.9494 -6.2480 -6.2530 PRESSURE: 1022200 382.057 101.014 -282.131 101.013 59.1807 -143.978 -282.131 -143.977 -355.631 GPRESSURE: 1022200 403.471 157.865 -314.821 149.821 33.9455 3.95878 -267.224 -173.578 -272.493 PRESSAVG: 1022200 -63.7371 42.8283 -18.5152 42.8283 44.0051 -20.7353 -18.5152 -20.7353 -5.85681 GPRESSAVG: 1022200 -62.7103 39.7272 -17.9119 44.7819 42.626 -19.7021 -16.8727 -21.1446 -5.45146 TIMING: 1022200 CPU: 3235.17, 0.00315708/step Wall: 3235.17, 0.00315708/step, 3.4884 hours remaining, 238.925781 MB of memory in use. ENERGY: 1022200 4011.5541 20381.9940 14439.7603 243.8973 -203340.4959 2792.0222 0.0000 0.0000 52014.8905 -109456.3776 298.9303 -161471.2681 -109086.6027 298.9074 28.5354 54.9745 761897.5289 -8.5296 -8.5119 PRESSURE: 1022400 -206.013 11.966 -176.449 11.9648 -66.5236 -173.237 -176.449 -173.238 139.749 GPRESSURE: 1022400 -64.3287 76.303 -158.601 128.028 -147.754 -239.454 -149.175 -151.26 155.603 PRESSAVG: 1022400 25.6206 -0.670603 -53.6805 -0.670608 1.47874 45.9744 -53.6805 45.9744 9.1124 GPRESSAVG: 1022400 24.1084 3.59196 -55.9682 -2.57465 1.52613 45.6219 -52.5338 44.7598 10.4336 TIMING: 1022400 CPU: 3235.8, 0.00316182/step Wall: 3235.8, 0.00316182/step, 3.49346 hours remaining, 238.925781 MB of memory in use. ENERGY: 1022400 4004.0082 20489.8206 14471.6584 252.8774 -203703.8839 2808.3154 0.0000 0.0000 52098.7434 -109578.4605 299.4122 -161677.2039 -109220.8435 299.0502 -44.2624 -18.8264 763273.0265 12.0706 12.0227 PRESSURE: 1022600 470.051 53.0465 -75.762 53.0474 -73.1638 129.688 -75.7618 129.689 -90.0085 GPRESSURE: 1022600 519.673 -96.1941 -47.062 32.3253 -84.1936 122.292 -129.599 174.072 -74.6616 PRESSAVG: 1022600 -7.41961 -8.89431 -1.61171 -8.89432 -8.64464 56.3529 -1.61171 56.353 5.74548 GPRESSAVG: 1022600 -6.09554 -10.4846 0.261486 -7.59837 -8.35504 56.3402 -1.93048 57.1281 4.21876 TIMING: 1022600 CPU: 3236.43, 0.00314721/step Wall: 3236.43, 0.00314721/step, 3.47715 hours remaining, 238.914062 MB of memory in use. ENERGY: 1022600 4003.3677 20451.1897 14459.6525 237.8174 -203714.2473 2902.7424 0.0000 0.0000 52099.1902 -109560.2873 299.4148 -161659.4776 -109198.7341 298.9611 102.2929 120.2727 761331.1294 -3.4396 -3.4106 PRESSURE: 1022800 -340.16 110.81 -28.13 110.81 59.2827 -64.0209 -28.1302 -64.0212 -452.503 GPRESSURE: 1022800 -352.228 37.4555 -35.6089 313.919 31.053 -5.1459 -75.256 -261.637 -334.349 PRESSAVG: 1022800 38.2041 -29.4178 -12.3618 -29.4178 -40.2747 29.9256 -12.3617 29.9256 -7.99922 GPRESSAVG: 1022800 38.2336 -28.691 -13.7402 -30.1246 -41.1776 31.2006 -12.0021 29.3459 -7.14328 TIMING: 1022800 CPU: 3237.06, 0.00315445/step Wall: 3237.06, 0.00315445/step, 3.48496 hours remaining, 238.914062 MB of memory in use. ENERGY: 1022800 4049.8853 20603.3262 14520.0641 240.4977 -203323.9577 2393.3764 0.0000 0.0000 52161.0485 -109355.7595 299.7703 -161516.8079 -108987.8478 299.7414 -244.4602 -218.5081 763318.7733 -3.3566 -3.3624 PRESSURE: 1023000 -429.652 -107.648 -130.022 -107.648 -51.9379 -78.343 -130.022 -78.3424 236.872 GPRESSURE: 1023000 -391.792 -134.481 -93.6906 -72.7437 -4.70378 -72.0646 -75.0127 -68.7897 229.661 PRESSAVG: 1023000 -21.7584 -14.8433 1.9381 -14.8433 -7.36235 -20.1683 1.93811 -20.1683 -17.9123 GPRESSAVG: 1023000 -21.5231 -15.83 2.59188 -13.6575 -5.58568 -21.4675 4.03337 -19.9534 -19.2813 TIMING: 1023000 CPU: 3237.69, 0.00314256/step Wall: 3237.69, 0.00314256/step, 3.47165 hours remaining, 238.914062 MB of memory in use. ENERGY: 1023000 4005.2073 20607.4009 14488.2419 259.2122 -202886.0628 2393.6399 0.0000 0.0000 51884.7829 -109247.5776 298.1826 -161132.3605 -108885.4972 299.6892 -81.5724 -55.6116 764875.1888 -15.6777 -15.4634 PRESSURE: 1023200 115.278 -182.161 31.5595 -182.162 -166.371 232.11 31.5599 232.109 -72.0281 GPRESSURE: 1023200 219.605 -57.0188 14.8167 -186.94 -166.907 181.057 111.077 234.766 -94.7274 PRESSAVG: 1023200 -27.2958 6.7991 10.7202 6.79913 13.4687 -5.33963 10.7202 -5.33968 22.8449 GPRESSAVG: 1023200 -26.9233 6.95349 10.325 4.88528 11.6868 -6.19656 7.69795 -4.44481 23.5835 TIMING: 1023200 CPU: 3238.32, 0.00314535/step Wall: 3238.32, 0.00314535/step, 3.47456 hours remaining, 238.925781 MB of memory in use. ENERGY: 1023200 3924.5689 20571.2296 14492.6402 271.4589 -203257.1274 2659.1829 0.0000 0.0000 52119.3153 -109218.7315 299.5304 -161338.0468 -108856.6169 299.1719 -41.0406 -14.0099 763136.5227 3.0059 2.7824 PRESSURE: 1023400 -147.042 151.643 -81.5002 151.642 -61.5119 -334.219 -81.4998 -334.218 -270.926 GPRESSURE: 1023400 -183.188 241.829 -101.14 136.875 19.1495 -267.823 132.557 -252.599 -237.17 PRESSAVG: 1023400 -57.9874 2.25053 -1.1854 2.25055 54.8991 7.21526 -1.18541 7.21525 -23.8966 GPRESSAVG: 1023400 -58.2657 2.34194 -1.50578 2.56857 55.2724 8.08386 0.544365 8.98617 -23.2466 TIMING: 1023400 CPU: 3238.95, 0.00315328/step Wall: 3238.95, 0.00315328/step, 3.48315 hours remaining, 238.925781 MB of memory in use. ENERGY: 1023400 4071.7816 20596.8445 14408.3128 269.6212 -203312.1548 2532.1685 0.0000 0.0000 52126.4729 -109306.9533 299.5716 -161433.4262 -108953.1516 299.1565 -159.8269 -133.7363 762516.5277 -8.9950 -8.7466 PRESSURE: 1023600 91.6591 112.664 55.4849 112.664 190.417 67.4131 55.4842 67.4122 -69.4119 GPRESSURE: 1023600 125.707 273.976 -4.56961 105.006 169.352 69.6729 -35.3254 13.0416 -6.92797 PRESSAVG: 1023600 -62.0693 -69.6995 10.2619 -69.6995 57.3029 -27.4649 10.2618 -27.4649 9.16511 GPRESSAVG: 1023600 -62.1582 -68.3833 10.9026 -69.1508 57.5665 -30.2449 10.3443 -28.9473 9.05352 TIMING: 1023600 CPU: 3239.58, 0.00317284/step Wall: 3239.58, 0.00317284/step, 3.50457 hours remaining, 238.925781 MB of memory in use. ENERGY: 1023600 3984.6014 20346.7452 14477.9451 239.7048 -203402.0968 2743.5257 0.0000 0.0000 52351.4199 -109258.1546 300.8643 -161609.5745 -108891.0292 299.6940 70.8882 96.0436 762619.5106 1.4662 1.4873 PRESSURE: 1023800 -59.7245 364.917 -162.423 364.917 171.013 -217.71 -162.423 -217.709 -248.135 GPRESSURE: 1023800 -143.137 247.589 -171.962 245.889 346.35 -133.42 -181.494 -184.005 -262.126 PRESSAVG: 1023800 -18.7052 -6.68818 0.668268 -6.68817 28.7611 3.31705 0.66825 3.31703 26.9897 GPRESSAVG: 1023800 -18.6035 -7.89014 1.04159 -8.09003 29.4963 5.11819 -1.03802 3.83004 25.6328 TIMING: 1023800 CPU: 3240.22, 0.00315738/step Wall: 3240.22, 0.00315738/step, 3.48732 hours remaining, 238.925781 MB of memory in use. ENERGY: 1023800 4025.5822 20507.2286 14448.4748 265.7531 -203377.9711 2819.1248 0.0000 0.0000 52099.2487 -109212.5589 299.4151 -161311.8075 -108860.0253 299.5609 -45.6154 -19.6376 763717.5107 12.3485 12.1752 PRESSURE: 1024000 268.246 -83.0696 109.443 -83.0704 -101.401 135.875 109.443 135.874 91.2302 GPRESSURE: 1024000 318.415 -107.944 98.057 84.6582 -76.2418 163.609 93.7774 -11.0847 90.0482 PRESSAVG: 1024000 -28.6264 -54.6351 -5.74948 -54.6351 30.1885 -19.0409 -5.74942 -19.0408 -9.01708 GPRESSAVG: 1024000 -29.3653 -55.4698 -5.28651 -52.8677 29.4947 -16.2018 -4.14139 -21.0795 -8.049 TIMING: 1024000 CPU: 3240.85, 0.00315954/step Wall: 3240.85, 0.00315954/step, 3.48953 hours remaining, 239.128906 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: 1024000 3912.6820 20479.9752 14522.7220 257.9586 -203239.0374 2559.7519 0.0000 0.0000 52150.4499 -109355.4979 299.7094 -161505.9478 -108989.6548 299.2471 86.0251 110.7404 762551.9208 -2.4850 -2.6399 PRESSURE: 1024200 -329.202 -94.6475 -489.223 -94.6472 22.5469 -99.699 -489.223 -99.6994 -33.007 GPRESSURE: 1024200 -286.326 -177.15 -390.589 30.7385 32.2103 -78.8069 -387.197 -69.1092 -18.9777 PRESSAVG: 1024200 -34.124 -3.14834 5.08198 -3.14837 27.0679 26.6375 5.08194 26.6374 2.05911 GPRESSAVG: 1024200 -33.1098 -2.22483 5.20409 -2.34719 27.7034 24.1757 4.19541 27.7494 0.372314 TIMING: 1024200 CPU: 3241.48, 0.00314381/step Wall: 3241.48, 0.00314381/step, 3.47199 hours remaining, 239.128906 MB of memory in use. ENERGY: 1024200 4053.8791 20443.9560 14548.8744 249.7177 -203505.3124 2629.0665 0.0000 0.0000 52157.3915 -109422.4271 299.7492 -161579.8187 -109075.5139 299.2038 -113.2207 -91.0313 761587.7737 -1.6657 -1.6780 LDB: ============= START OF LOAD BALANCING ============== 3253.93 LDB: ============== END OF LOAD BALANCING =============== 3253.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3253.93 LDB: ============= START OF LOAD BALANCING ============== 3254.24 LDB: Largest compute 7032 load 0.037632 is 19.3% of average load 0.195018 LDB: Average compute 0.004403 is 2.3% of average load 0.195018 LDB: TIME 3254.25 LOAD: AVG 0.195018 MAX 0.212064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.316 MB LDB: TIME 3254.25 LOAD: AVG 0.195018 MAX 0.212064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.316 MB LDB: TIME 3254.25 LOAD: AVG 0.195018 MAX 0.212064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.316 MB LDB: ============== END OF LOAD BALANCING =============== 3254.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3254.25 PRESSURE: 1024400 193.548 37.1119 -214.041 37.112 -91.472 29.5828 -214.041 29.5816 -20.4862 GPRESSURE: 1024400 138.897 98.1709 -146.913 49.5726 -23.4344 -3.06228 -201.81 138.615 51.6751 PRESSAVG: 1024400 -12.1917 -40.6038 -64.2029 -40.6038 22.4733 -44.8167 -64.203 -44.8167 10.2865 GPRESSAVG: 1024400 -12.7897 -39.5499 -62.8554 -43.4815 21.7034 -43.6504 -64.1256 -44.6284 11.8244 TIMING: 1024400 CPU: 3242.12, 0.00321195/step Wall: 3242.12, 0.00321195/step, 3.54706 hours remaining, 235.964844 MB of memory in use. ENERGY: 1024400 3951.7510 20611.3251 14461.0612 245.4805 -202970.5408 2279.9082 0.0000 0.0000 52157.6959 -109263.3189 299.7510 -161421.0148 -108900.8150 299.8348 27.1966 55.7125 762821.2993 6.8560 6.9127 PRESSURE: 1024600 -141.491 -147.565 78.752 -147.565 -132.039 151.82 78.7528 151.819 50.1331 GPRESSURE: 1024600 -42.2977 -182.325 61.5197 -114.961 -133.652 150.587 117.709 255.463 37.768 PRESSAVG: 1024600 -66.911 4.29313 -28.1351 4.29311 57.7792 -6.79335 -28.1351 -6.79327 -7.08049 GPRESSAVG: 1024600 -66.8714 1.8788 -31.222 5.9736 58.919 -8.32552 -27.8467 -5.85038 -7.93498 TIMING: 1024600 CPU: 3242.75, 0.00314708/step Wall: 3242.75, 0.00314708/step, 3.47525 hours remaining, 235.964844 MB of memory in use. ENERGY: 1024600 4000.9040 20609.0670 14470.0820 250.8875 -203106.1056 2423.6923 0.0000 0.0000 52082.6478 -109268.8249 299.3197 -161351.4727 -108909.4230 299.3734 -74.4655 -46.0607 762899.5270 -5.4041 -5.2958 PRESSURE: 1024800 -184.836 213.228 -254.489 213.228 -391.374 -27.043 -254.488 -27.0432 -284.847 GPRESSURE: 1024800 -113.931 329.349 -167.707 163.285 -386.729 -49.3129 -171.126 -119.837 -265.866 PRESSAVG: 1024800 9.42047 -2.25254 -7.07813 -2.25258 31.2224 -9.82351 -7.07812 -9.8236 -10.2304 GPRESSAVG: 1024800 10.4194 -1.97957 -6.56434 -4.34916 31.572 -8.34081 -5.76348 -9.92889 -11.5793 TIMING: 1024800 CPU: 3243.38, 0.00314828/step Wall: 3243.38, 0.00314828/step, 3.4764 hours remaining, 235.964844 MB of memory in use. ENERGY: 1024800 4008.0758 20409.4992 14469.8608 238.2561 -203212.6296 2643.0418 0.0000 0.0000 51992.1362 -109451.7597 298.7995 -161443.8959 -109092.9551 299.0151 -287.0189 -255.5085 761942.0483 10.1375 10.1374 PRESSURE: 1025000 -13.363 -6.67751 -111.581 -6.67673 1.48585 -58.9978 -111.581 -58.996 -451.499 GPRESSURE: 1025000 -101.19 16.9812 -65.5563 -170.632 140.011 -59.1649 -179.078 -70.8482 -439.912 PRESSAVG: 1025000 -6.74396 6.96683 -30.785 6.96684 -30.2546 -32.2239 -30.785 -32.2239 3.71954 GPRESSAVG: 1025000 -7.83599 7.99982 -29.993 6.82875 -30.74 -32.9852 -32.8056 -33.6726 5.50127 TIMING: 1025000 CPU: 3244.01, 0.00313921/step Wall: 3244.01, 0.00313921/step, 3.46621 hours remaining, 235.964844 MB of memory in use. ENERGY: 1025000 3962.9318 20675.0418 14446.0677 236.6466 -203728.6152 2684.8825 0.0000 0.0000 52343.3775 -109379.6673 300.8181 -161723.0447 -109012.8336 298.8995 -154.4587 -133.6969 761125.1046 -11.0930 -11.0249 PRESSURE: 1025200 -256.546 259.213 129.817 259.212 -110.659 278.364 129.817 278.363 30.4617 GPRESSURE: 1025200 -259.686 251.908 111.936 259.941 -77.2862 174.684 189.874 279.562 56.4514 PRESSAVG: 1025200 -6.75788 22.1982 -69.8709 22.1982 -30.0155 14.8271 -69.8709 14.8271 -2.27491 GPRESSAVG: 1025200 -7.22299 21.8563 -68.0166 23.4873 -28.7121 14.4965 -69.7766 16.4711 -3.1474 TIMING: 1025200 CPU: 3244.63, 0.00311929/step Wall: 3244.63, 0.00311929/step, 3.44404 hours remaining, 235.964844 MB of memory in use. ENERGY: 1025200 4007.0317 20555.1887 14469.7153 257.9544 -203416.4197 2521.0839 0.0000 0.0000 51899.9254 -109705.5203 298.2696 -161605.4457 -109334.5962 299.4323 -112.2476 -93.5069 762663.5889 -13.0161 -13.0275 PRESSURE: 1025400 55.9374 -203.436 -147.033 -203.436 423.128 58.1983 -147.033 58.1972 608.882 GPRESSURE: 1025400 230.348 -209.587 -181.329 -215.438 372.95 46.7638 -146.227 -9.91827 560.098 PRESSAVG: 1025400 0.857637 2.33415 -60.3985 2.33418 -0.204773 42.8064 -60.3984 42.8064 0.747289 GPRESSAVG: 1025400 2.12728 -0.862936 -60.8123 2.54847 -1.47845 42.4643 -59.7651 40.4825 1.61702 TIMING: 1025400 CPU: 3245.26, 0.00313274/step Wall: 3245.26, 0.00313274/step, 3.45872 hours remaining, 235.964844 MB of memory in use. ENERGY: 1025400 3968.5505 20442.9606 14564.7053 239.6717 -203674.7655 2620.7329 0.0000 0.0000 52190.2076 -109647.9371 299.9378 -161838.1446 -109285.5027 298.6210 362.6491 387.7984 761871.5876 0.4667 0.7553 PRESSURE: 1025600 128.225 -4.16048 42.519 -4.16047 35.3301 -226.522 42.5183 -226.522 269.685 GPRESSURE: 1025600 121.55 31.2994 -18.7933 53.489 108.918 -104.021 69.3522 -235.146 267.442 PRESSAVG: 1025600 16.1352 -9.54571 -27.5144 -9.54573 -16.0893 -45.2074 -27.5144 -45.2073 -12.3207 GPRESSAVG: 1025600 15.3547 -10.9665 -28.5237 -8.86536 -15.5104 -43.8861 -27.515 -44.2983 -12.365 TIMING: 1025600 CPU: 3245.89, 0.0031514/step Wall: 3245.89, 0.0031514/step, 3.47914 hours remaining, 235.964844 MB of memory in use. ENERGY: 1025600 3935.3605 20396.7314 14440.5373 244.6143 -203761.2889 2945.5052 0.0000 0.0000 52009.4953 -109789.0448 298.8993 -161798.5402 -109419.7200 298.1491 144.4132 165.9700 762590.9998 -4.0916 -4.1736 PRESSURE: 1025800 -146.394 21.2784 76.9893 21.2784 -0.174986 -95.0891 76.9888 -95.0897 -209.574 GPRESSURE: 1025800 -104.684 -15.4243 120.784 65.1271 59.516 -104.987 129.905 -31.1245 -223.792 PRESSAVG: 1025800 1.65965 -52.8082 -23.4135 -52.8082 23.4169 -7.71406 -23.4135 -7.71411 -0.699779 GPRESSAVG: 1025800 1.79394 -49.2245 -23.9898 -55.2377 22.7799 -7.58969 -22.6155 -6.83899 -0.131957 TIMING: 1025800 CPU: 3246.51, 0.00314196/step Wall: 3246.51, 0.00314196/step, 3.46855 hours remaining, 235.964844 MB of memory in use. ENERGY: 1025800 3988.5234 20391.3546 14515.5100 253.5463 -203427.4324 2369.0197 0.0000 0.0000 52209.6753 -109699.8032 300.0497 -161909.4785 -109341.7208 298.5832 -118.7144 -89.6535 761286.0848 8.1256 8.1473 PRESSURE: 1026000 27.6903 134.147 18.3931 134.147 -62.4039 80.4513 18.393 80.4512 344.607 GPRESSURE: 1026000 57.3022 136.084 -2.214 18.291 -35.0476 133.362 -0.690027 89.0534 375.583 PRESSAVG: 1026000 3.48013 25.4382 -50.4241 25.4382 -2.13681 -14.0611 -50.4241 -14.0611 13.4118 GPRESSAVG: 1026000 3.16736 24.265 -50.2023 25.4718 -1.06958 -14.8793 -49.2012 -13.7976 11.8525 TIMING: 1026000 CPU: 3247.14, 0.003142/step Wall: 3247.14, 0.003142/step, 3.46842 hours remaining, 235.964844 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: 1026000 3950.6829 20470.3795 14429.4477 245.5661 -203418.7481 2696.6339 0.0000 0.0000 52032.2502 -109593.7879 299.0301 -161626.0381 -109241.2293 298.9595 103.2979 132.6126 761484.7627 4.9184 4.6501 PRESSURE: 1026200 -400.105 -99.2903 -311.209 -99.2893 -119.42 21.2204 -311.208 21.2204 -105.034 GPRESSURE: 1026200 -253.371 -58.685 -225.632 -63.8146 -169.104 -18.4873 -232.369 14.8958 -125.856 PRESSAVG: 1026200 -21.7687 -5.25228 -24.9528 -5.25225 -22.205 20.2644 -24.9528 20.2644 -4.14508 GPRESSAVG: 1026200 -21.1932 -4.60213 -25.1102 -2.28916 -22.828 20.552 -26.1258 22.0785 -3.81993 TIMING: 1026200 CPU: 3247.77, 0.00314222/step Wall: 3247.77, 0.00314222/step, 3.46848 hours remaining, 235.964844 MB of memory in use. ENERGY: 1026200 3948.6517 20378.2480 14464.7548 251.8763 -203157.3150 2434.6370 0.0000 0.0000 51987.5434 -109691.6038 298.7731 -161679.1471 -109337.4391 298.5883 -208.1864 -182.7773 762716.1295 -16.0396 -15.9471 PRESSURE: 1026400 122.419 3.59084 150.694 3.59174 -260.935 130 150.694 130 -318.801 GPRESSURE: 1026400 150.54 32.512 215.13 -43.4074 -191.931 111.003 177.716 100.496 -326.869 PRESSAVG: 1026400 15.5065 -26.7965 10.3653 -26.7965 -24.6598 -4.05019 10.3653 -4.05012 4.55238 GPRESSAVG: 1026400 15.1649 -27.68 11.4758 -27.9669 -24.9094 -4.73156 10.4074 -7.5966 5.17234 TIMING: 1026400 CPU: 3248.4, 0.00314271/step Wall: 3248.4, 0.00314271/step, 3.46886 hours remaining, 235.964844 MB of memory in use. ENERGY: 1026400 3988.9908 20370.9794 14524.5168 237.7739 -203205.5768 2379.5024 0.0000 0.0000 51883.6913 -109820.1221 298.1763 -161703.8134 -109461.3934 298.5834 -152.4391 -122.7535 761728.1092 -1.5336 -1.5240 PRESSURE: 1026600 46.3969 -179.59 70.2424 -179.59 -104.261 -205.12 70.2412 -205.121 630.318 GPRESSURE: 1026600 42.3868 -225.939 23.9064 -236.614 -64.2485 -158.041 27.0402 -167.276 675.452 PRESSAVG: 1026600 35.6432 21.4555 14.1347 21.4556 10.4281 -26.7075 14.1346 -26.7075 7.37713 GPRESSAVG: 1026600 35.2641 21.9448 14.4403 19.6593 10.567 -27.0687 13.0295 -24.5585 6.83949 TIMING: 1026600 CPU: 3249.03, 0.00313763/step Wall: 3249.03, 0.00313763/step, 3.46307 hours remaining, 235.964844 MB of memory in use. ENERGY: 1026600 3949.5282 20333.9482 14450.7182 240.6234 -203767.4254 2842.3638 0.0000 0.0000 52096.9224 -109853.3212 299.4017 -161950.2437 -109487.4248 298.7769 190.8179 217.8633 760714.6485 17.8162 17.5569 PRESSURE: 1026800 -368.348 12.6966 19.9767 12.6969 -405.286 -95.4767 19.977 -95.4763 -419.219 GPRESSURE: 1026800 -312.478 -50.2872 108.57 64.1178 -423.334 -100.969 107.353 -116.405 -398.25 PRESSAVG: 1026800 2.76927 -26.8398 5.76525 -26.8398 -30.7148 12.4769 5.76523 12.4769 -13.5393 GPRESSAVG: 1026800 2.76812 -25.196 4.10476 -27.6052 -30.7357 14.258 5.25342 13.1086 -13.7391 TIMING: 1026800 CPU: 3249.65, 0.00313474/step Wall: 3249.65, 0.00313474/step, 3.45971 hours remaining, 235.964844 MB of memory in use. ENERGY: 1026800 3937.8570 20591.7813 14441.6052 258.3472 -203212.5687 2191.2588 0.0000 0.0000 52027.3123 -109764.4070 299.0017 -161791.7193 -109398.5109 298.3449 -397.6174 -378.0208 761351.5946 -13.8283 -13.9022 PRESSURE: 1027000 -216.695 66.8845 -36.4748 66.8845 -27.8206 43.0074 -36.4745 43.0078 29.5568 GPRESSURE: 1027000 -136.835 99.1289 64.4514 30.2996 -24.2676 134.697 -68.1023 -146.465 40.7288 PRESSAVG: 1027000 5.57671 -3.29097 -42.4377 -3.29089 1.86692 28.5097 -42.4377 28.5096 3.57987 GPRESSAVG: 1027000 4.74634 -2.60233 -41.3739 -2.21905 0.768967 28.3152 -40.6834 27.7307 5.31212 TIMING: 1027000 CPU: 3250.28, 0.00313538/step Wall: 3250.28, 0.00313538/step, 3.46024 hours remaining, 235.964844 MB of memory in use. ENERGY: 1027000 3983.8080 20430.7265 14429.1566 245.5806 -203438.8338 2648.2438 0.0000 0.0000 51897.3526 -109803.9657 298.2548 -161701.3183 -109432.8192 298.8007 -71.6528 -40.1247 762467.1394 3.6745 3.6091 PRESSURE: 1027200 98.0273 -138.697 68.176 -138.697 183.501 211.131 68.1762 211.131 23.7132 GPRESSURE: 1027200 152.159 -82.0599 -1.76773 -177.882 283.104 200.52 18.2031 228.889 -43.0795 PRESSAVG: 1027200 12.712 4.53274 3.86175 4.5327 -11.2522 -25.4796 3.86175 -25.4796 -4.01552 GPRESSAVG: 1027200 14.6062 1.87913 3.39218 6.43195 -11.4533 -26.8742 2.11388 -24.2199 -5.20336 TIMING: 1027200 CPU: 3250.91, 0.00313681/step Wall: 3250.91, 0.00313681/step, 3.46164 hours remaining, 235.964844 MB of memory in use. ENERGY: 1027200 3982.1227 20581.1945 14436.4327 245.4414 -204050.3354 2889.0521 0.0000 0.0000 52094.7389 -109821.3531 299.3892 -161916.0920 -109467.5347 298.6140 101.7471 130.7276 760521.2013 -0.8519 -0.6835 PRESSURE: 1027400 244.955 -106.354 -156.07 -106.353 121.934 -228.515 -156.07 -228.514 167.916 GPRESSURE: 1027400 222.909 -282.979 -120.79 -70.163 202.957 -243.685 -77.8972 -256.389 200.818 PRESSAVG: 1027400 -22.9827 -55.5995 -15.1834 -55.5994 32.0181 -4.73389 -15.1834 -4.73396 4.71118 GPRESSAVG: 1027400 -24.3723 -54.0478 -16.6993 -59.8191 32.9078 -4.17107 -16.3279 -5.90995 5.19785 TIMING: 1027400 CPU: 3251.53, 0.00313007/step Wall: 3251.53, 0.00313007/step, 3.45403 hours remaining, 235.964844 MB of memory in use. ENERGY: 1027400 3922.6990 20399.8039 14409.3558 240.8895 -203739.1733 2754.9809 0.0000 0.0000 52074.4791 -109936.9652 299.2727 -162011.4443 -109562.6005 298.6310 178.2684 208.8948 759391.0110 4.5822 4.5778 PRESSURE: 1027600 72.0204 -130.324 340.179 -130.324 91.4116 -210.292 340.179 -210.291 -212.251 GPRESSURE: 1027600 159.933 -166.459 306.473 -66.6358 89.8883 -205.875 390.035 -195.043 -203.554 PRESSAVG: 1027600 5.44421 -24.2569 24.3788 -24.2569 15.2897 -54.3017 24.3788 -54.3017 11.0594 GPRESSAVG: 1027600 6.24879 -23.6443 25.6323 -20.8379 14.7861 -54.8708 24.1434 -54.0641 11.1736 TIMING: 1027600 CPU: 3252.16, 0.00312113/step Wall: 3252.16, 0.00312113/step, 3.444 hours remaining, 235.964844 MB of memory in use. ENERGY: 1027600 3956.2547 20417.6072 14441.1073 274.9041 -203592.6454 2753.9715 0.0000 0.0000 51923.2158 -109825.5847 298.4034 -161748.8005 -109472.2428 298.4754 -16.2729 15.4223 760902.9599 10.5978 10.7362 PRESSURE: 1027800 -44.8825 71.709 152.279 71.7098 190.965 -295.572 152.28 -295.573 -146.813 GPRESSURE: 1027800 -0.381606 62.4638 95.5094 22.0576 195.011 -218.662 31.7718 -198.838 -85.9579 PRESSAVG: 1027800 -33.9937 30.6825 31.8833 30.6825 21.7032 -46.0732 31.8834 -46.0731 -13.0839 GPRESSAVG: 1027800 -33.747 30.6658 33.6782 28.3536 20.6759 -44.3704 32.5779 -45.1437 -12.1794 TIMING: 1027800 CPU: 3252.79, 0.00313731/step Wall: 3252.79, 0.00313731/step, 3.46167 hours remaining, 235.964844 MB of memory in use. ENERGY: 1027800 4006.3590 20372.1483 14393.3648 265.1242 -203680.4662 2877.4871 0.0000 0.0000 51992.2076 -109773.7753 298.7999 -161765.9828 -109415.8042 298.5271 -0.2436 36.2237 760296.2780 -8.4581 -8.4168 PRESSURE: 1028000 83.9475 -73.6575 225.086 -73.658 46.7694 -51.8763 225.086 -51.8775 -142.204 GPRESSURE: 1028000 161.432 -128.959 156.614 -29.5545 39.8905 -18.001 162.791 -225.436 -131.948 PRESSAVG: 1028000 1.15716 31.7775 12.109 31.7775 33.7452 46.2507 12.1091 46.2508 -2.24949 GPRESSAVG: 1028000 -0.0904338 30.5627 10.7476 34.1227 36.147 44.9475 12.0232 46.1583 -3.1959 TIMING: 1028000 CPU: 3253.42, 0.0031523/step Wall: 3253.42, 0.0031523/step, 3.47804 hours remaining, 235.964844 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: 1028000 4012.5927 20496.9874 14466.2190 230.6199 -203418.6080 2604.0405 0.0000 0.0000 51888.2383 -109719.9102 298.2024 -161608.1485 -109356.2770 298.7352 -3.8290 23.1251 762023.1566 10.8843 10.9536 PRESSURE: 1028200 -74.5807 157.086 40.8284 157.086 39.4661 81.9442 40.8297 81.9445 -494.163 GPRESSURE: 1028200 -5.26148 173.642 5.67903 108.668 21.5935 18.128 11.0456 145.132 -465.95 PRESSAVG: 1028200 -42.1504 26.6517 -16.6728 26.6518 62.0866 -1.32079 -16.6728 -1.3208 6.48548 GPRESSAVG: 1028200 -41.2867 27.238 -17.0613 24.1427 61.7271 -2.78626 -15.2557 -2.13379 6.22322 TIMING: 1028200 CPU: 3254.05, 0.00314851/step Wall: 3254.05, 0.00314851/step, 3.47369 hours remaining, 235.964844 MB of memory in use. ENERGY: 1028200 4064.2823 20470.7586 14450.6665 275.6511 -202939.5883 2287.7780 0.0000 0.0000 51912.6246 -109477.8272 298.3426 -161390.4518 -109125.5867 299.0054 -176.4258 -149.8727 763019.6595 8.8073 8.8879 LDB: ============= START OF LOAD BALANCING ============== 3266.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3266.5 LDB: =============== DONE WITH MIGRATION ================ 3266.5 LDB: ============= START OF LOAD BALANCING ============== 3266.81 LDB: Largest compute 7032 load 0.036632 is 18.8% of average load 0.195164 LDB: Average compute 0.004391 is 2.3% of average load 0.195164 LDB: TIME 3266.82 LOAD: AVG 0.195164 MAX 0.212958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 3266.82 LOAD: AVG 0.195164 MAX 0.212958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: TIME 3266.82 LOAD: AVG 0.195164 MAX 0.212958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: ============== END OF LOAD BALANCING =============== 3266.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3266.82 PRESSURE: 1028400 -328.539 -78.456 -123.401 -78.4559 -141.194 -230.828 -123.402 -230.828 15.5379 GPRESSURE: 1028400 -263.514 -90.8794 -85.6689 -107.834 -80.15 -178.854 -143.285 -196.781 -18.7557 PRESSAVG: 1028400 -27.6408 4.53426 1.16367 4.53432 38.6025 26.0633 1.16364 26.0632 1.61881 GPRESSAVG: 1028400 -27.5226 4.38401 1.27121 4.63523 38.5644 26.3746 1.35454 26.627 1.6066 TIMING: 1028400 CPU: 3254.69, 0.00321119/step Wall: 3254.69, 0.00321119/step, 3.54265 hours remaining, 237.503906 MB of memory in use. ENERGY: 1028400 4007.4625 20380.7877 14456.7309 249.8747 -203244.4760 2260.3967 0.0000 0.0000 52221.0762 -109668.1473 300.1152 -161889.2235 -109304.2955 298.6145 -151.3982 -120.8065 759718.9832 4.1935 4.2161 PRESSURE: 1028600 -134.345 350.863 -105.967 350.862 -227.874 139.549 -105.968 139.548 -289.493 GPRESSURE: 1028600 -90.9833 240.015 -43.1973 178.134 -170.49 209.653 -102.07 208.806 -311.982 PRESSAVG: 1028600 9.03194 -20.9039 -14.3909 -20.9039 44.088 -20.801 -14.3909 -20.801 12.2288 GPRESSAVG: 1028600 9.10331 -21.2942 -13.7416 -20.4089 44.1071 -19.7014 -17.0065 -21.5788 12.4591 TIMING: 1028600 CPU: 3255.32, 0.00315312/step Wall: 3255.32, 0.00315312/step, 3.47841 hours remaining, 237.503906 MB of memory in use. ENERGY: 1028600 4000.5116 20374.4388 14459.2086 261.5465 -203552.3098 2821.8767 0.0000 0.0000 52104.5582 -109530.1694 299.4456 -161634.7277 -109173.0323 299.2707 -217.2373 -191.1518 761235.3894 21.7829 21.8898 PRESSURE: 1028800 45.2025 110.931 123.981 110.931 68.5553 -82.5296 123.982 -82.5299 25.4634 GPRESSURE: 1028800 -25.5276 90.0474 189.896 58.9791 252.606 -17.0671 -50.3774 -169.111 6.30794 PRESSAVG: 1028800 -36.0323 29.3081 -95.4758 29.308 31.822 -6.66822 -95.4758 -6.66813 12.3077 GPRESSAVG: 1028800 -36.1903 31.6023 -96.5772 29.0119 32.415 -5.15541 -92.2524 -7.42295 12.2274 TIMING: 1028800 CPU: 3255.95, 0.00314314/step Wall: 3255.95, 0.00314315/step, 3.46724 hours remaining, 237.503906 MB of memory in use. ENERGY: 1028800 3914.3361 20379.0162 14383.4842 220.9442 -203196.0058 2695.0590 0.0000 0.0000 52029.1392 -109574.0269 299.0122 -161603.1661 -109212.4757 298.6508 46.4071 77.7954 762856.5574 2.6991 2.8174 PRESSURE: 1029000 -347.112 -100.239 198.854 -100.239 73.7654 184.893 198.854 184.894 -444.952 GPRESSURE: 1029000 -284.943 -93.5613 237.649 26.7728 90.7738 92.3316 173.938 213.76 -454.989 PRESSAVG: 1029000 -51.4726 -4.87636 -22.9789 -4.87635 46.4397 -6.28714 -22.9789 -6.28708 -13.4646 GPRESSAVG: 1029000 -51.4796 -6.68768 -21.6461 -3.67896 46.4019 -9.83674 -24.2346 -3.72696 -13.6086 TIMING: 1029000 CPU: 3256.58, 0.00315896/step Wall: 3256.58, 0.00315896/step, 3.4845 hours remaining, 237.503906 MB of memory in use. ENERGY: 1029000 3972.3360 20387.9970 14447.6511 237.0970 -203321.7397 2635.1870 0.0000 0.0000 52036.7092 -109604.7624 299.0557 -161641.4716 -109245.8836 298.7482 -239.4329 -216.3861 761446.2778 -6.1658 -6.2288 PRESSURE: 1029200 -135.215 70.3425 -174.785 70.3433 99.5218 12.4808 -174.784 12.4805 -142.56 GPRESSURE: 1029200 -53.1612 107.883 -73.5009 47.1482 72.4403 -53.0628 -189.65 11.6079 -128.777 PRESSAVG: 1029200 -64.9362 -56.7748 19.5765 -56.7749 54.0269 -8.82761 19.5765 -8.8277 4.19985 GPRESSAVG: 1029200 -64.4301 -56.7839 18.8099 -56.4385 52.7934 -6.87813 20.9891 -11.1847 4.70333 TIMING: 1029200 CPU: 3257.21, 0.00315995/step Wall: 3257.21, 0.00315995/step, 3.48542 hours remaining, 237.503906 MB of memory in use. ENERGY: 1029200 3978.5827 20581.4860 14542.3677 240.9087 -203480.5406 2587.5755 0.0000 0.0000 52038.9928 -109510.6272 299.0688 -161549.6200 -109161.1732 299.0278 -59.4177 -36.4994 759729.2127 -2.2365 -2.3111 PRESSURE: 1029400 88.6225 -59.5685 -375.185 -59.569 75.4302 -142.68 -375.184 -142.679 -327.48 GPRESSURE: 1029400 156.719 -23.9248 -339.495 -26.7703 26.3622 -163.089 -391.429 -110.492 -244.28 PRESSAVG: 1029400 -55.205 39.7754 -36.8628 39.7754 82.0669 16.1602 -36.8627 16.1602 14.9479 GPRESSAVG: 1029400 -56.1934 39.8926 -35.2763 40.2993 82.5336 16.609 -38.0752 16.633 15.2876 TIMING: 1029400 CPU: 3257.84, 0.00315797/step Wall: 3257.84, 0.00315797/step, 3.48307 hours remaining, 237.503906 MB of memory in use. ENERGY: 1029400 3959.7809 20343.1681 14463.4630 257.1621 -203716.7534 2900.2238 0.0000 0.0000 52171.4814 -109621.4741 299.8302 -161792.9555 -109256.0517 299.1929 -54.4758 -20.3999 762003.2129 13.9366 13.8759 PRESSURE: 1029600 -104.102 264.48 237.987 264.48 -376.006 -98.2424 237.987 -98.2425 -87.643 GPRESSURE: 1029600 -94.0786 164.335 230.78 140.47 -287.153 -132.522 309.779 55.9814 -84.1061 PRESSAVG: 1029600 -86.5434 -18.8793 -1.97737 -18.8793 70.0372 -40.8797 -1.97744 -40.8797 4.82758 GPRESSAVG: 1029600 -85.6201 -20.4019 -3.28035 -19.9558 70.5904 -42.2865 -1.79165 -39.4604 3.28776 TIMING: 1029600 CPU: 3258.48, 0.00316693/step Wall: 3258.48, 0.00316693/step, 3.49278 hours remaining, 237.503906 MB of memory in use. ENERGY: 1029600 3984.3188 20417.6086 14427.3080 250.4115 -203464.5005 2705.8235 0.0000 0.0000 51984.7353 -109694.2948 298.7570 -161679.0301 -109333.4768 299.1262 -189.2503 -155.1125 761254.2032 -3.8929 -3.9140 PRESSURE: 1029800 -373.839 -75.6492 -11.9901 -75.6497 -35.3527 116.079 -11.9903 116.079 -422.382 GPRESSURE: 1029800 -313.228 -16.7328 47.4343 -30.6261 -42.0413 147.505 44.9116 5.69949 -402.457 PRESSAVG: 1029800 -18.1746 1.15245 10.3798 1.15243 40.2532 54.8582 10.3797 54.8581 12.1235 GPRESSAVG: 1029800 -18.2401 3.13569 10.5916 1.76495 37.5927 54.6961 10.169 55.5644 14.7179 TIMING: 1029800 CPU: 3259.11, 0.00316612/step Wall: 3259.11, 0.00316612/step, 3.4917 hours remaining, 237.503906 MB of memory in use. ENERGY: 1029800 3992.4550 20401.4986 14484.6387 226.4503 -203063.5057 2218.7005 0.0000 0.0000 52235.8188 -109503.9438 300.2000 -161739.7627 -109150.9192 298.9488 -277.1911 -252.5754 762101.8414 11.4007 11.3568 PRESSURE: 1030000 219.676 -26.5108 227.93 -26.5116 38.0434 219.863 227.93 219.863 -233.07 GPRESSURE: 1030000 253.014 -96.3928 238.212 -22.045 42.5298 176.459 89.5702 69.4905 -171.855 PRESSAVG: 1030000 -12.4961 -3.78254 36.1755 -3.78252 4.46229 -3.85478 36.1756 -3.85487 -8.41618 GPRESSAVG: 1030000 -12.0984 -4.91772 34.4799 -4.21952 5.92774 -3.89415 35.6001 -6.69856 -10.854 TIMING: 1030000 CPU: 3259.74, 0.0031344/step Wall: 3259.74, 0.0031344/step, 3.45654 hours remaining, 237.503906 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: 1030000 4031.2312 20498.2595 14415.5376 243.8316 -203449.3369 2676.1015 0.0000 0.0000 52061.5463 -109522.8293 299.1984 -161584.3756 -109165.4116 299.1887 8.2165 41.2296 760925.4311 -5.4833 -5.6749 PRESSURE: 1030200 -482.402 -8.92778 -71.6957 -8.92723 -146.229 -8.98228 -71.6961 -8.98135 -221.163 GPRESSURE: 1030200 -409.781 4.81791 -35.0633 -82.5623 -152.166 -45.3896 -104.305 20.8969 -204.161 PRESSAVG: 1030200 25.224 -4.88752 49.2972 -4.88748 -20.6399 19.8086 49.2972 19.8085 14.2361 GPRESSAVG: 1030200 24.2185 -3.19014 51.0826 -6.42781 -21.11 19.8217 49.5351 20.3741 15.7764 TIMING: 1030200 CPU: 3260.37, 0.00314005/step Wall: 3260.37, 0.00314005/step, 3.4626 hours remaining, 237.503906 MB of memory in use. ENERGY: 1030200 4057.1697 20426.7331 14445.8578 240.8792 -202786.8006 2038.4748 0.0000 0.0000 52015.6058 -109562.0802 298.9344 -161577.6860 -109199.6577 299.1936 -283.2648 -255.3691 761206.8790 6.2734 6.2950 PRESSURE: 1030400 32.9125 -82.1804 13.9783 -82.1803 -486.092 104.33 13.9779 104.332 -218.199 GPRESSURE: 1030400 -8.36617 10.7792 77.7895 -144.684 -367.429 41.4212 -4.25308 137.444 -225.557 PRESSAVG: 1030400 -1.40991 -7.93002 7.06079 -7.93008 10.5566 -1.69175 7.06079 -1.69172 7.40692 GPRESSAVG: 1030400 -0.44946 -8.0765 4.33255 -7.69345 9.83776 -0.541346 7.19954 -1.85275 6.468 TIMING: 1030400 CPU: 3260.99, 0.00314639/step Wall: 3260.99, 0.00314639/step, 3.46942 hours remaining, 237.503906 MB of memory in use. ENERGY: 1030400 4055.0961 20627.4303 14491.4232 266.0402 -203027.3453 2225.1690 0.0000 0.0000 51840.4575 -109521.7290 297.9278 -161362.1865 -109165.6557 298.4681 -223.7931 -200.4506 761248.7840 5.5179 5.2854 PRESSURE: 1030600 196.519 -122.895 -38.8602 -122.894 117.336 125.605 -38.8595 125.605 -73.2171 GPRESSURE: 1030600 150.633 -92.8344 -2.53753 -24.2438 256.72 56.9493 -77.6799 114.304 -94.7841 PRESSAVG: 1030600 -22.6767 -55.4298 -28.9651 -55.4298 33.6391 4.23522 -28.9651 4.23526 -3.35052 GPRESSAVG: 1030600 -24.4292 -57.3226 -27.285 -51.8027 33.8434 3.98161 -29.2124 5.93284 -2.87787 TIMING: 1030600 CPU: 3261.62, 0.00315132/step Wall: 3261.62, 0.00315132/step, 3.47468 hours remaining, 237.503906 MB of memory in use. ENERGY: 1030600 3934.7694 20636.4697 14470.3144 246.5563 -203695.5468 2881.1125 0.0000 0.0000 52029.2242 -109497.1003 299.0127 -161526.3246 -109137.8276 298.9387 80.2125 104.1896 760473.5462 2.5373 2.1788 PRESSURE: 1030800 -77.0216 -167.351 -52.8913 -167.35 48.4889 -229.061 -52.8905 -229.06 -253.912 GPRESSURE: 1030800 -13.9604 -308.802 1.58385 -99.2349 76.7809 -165.7 14.6782 -211.584 -271.201 PRESSAVG: 1030800 -63.1652 22.5768 72.3577 22.5768 56.2436 12.3172 72.3578 12.3173 -6.45794 GPRESSAVG: 1030800 -61.8669 22.6465 73.1098 21.7892 56.3615 12.514 70.5074 12.0128 -7.48654 TIMING: 1030800 CPU: 3262.26, 0.00315777/step Wall: 3262.26, 0.00315777/step, 3.48161 hours remaining, 237.503906 MB of memory in use. ENERGY: 1030800 3961.4309 20595.6957 14497.5457 237.0327 -203184.4256 2523.8145 0.0000 0.0000 51900.7264 -109468.1797 298.2742 -161368.9061 -109102.5582 299.0415 -94.1484 -69.4601 762177.3798 -4.4598 -4.3307 PRESSURE: 1031000 -55.0606 170.914 -25.0523 170.913 135.212 5.22461 -25.0517 5.22382 -316.246 GPRESSURE: 1031000 -115.42 79.9185 -56.6419 152.985 218.594 25.8388 77.9318 46.8427 -257.701 PRESSAVG: 1031000 1.1385 -50.1505 6.97806 -50.1506 79.3518 46.3494 6.97804 46.3494 12.492 GPRESSAVG: 1031000 1.03441 -51.892 5.71269 -49.7977 78.923 45.5596 9.27667 46.7689 13.0197 TIMING: 1031000 CPU: 3262.88, 0.00313963/step Wall: 3262.88, 0.00313963/step, 3.46144 hours remaining, 237.503906 MB of memory in use. ENERGY: 1031000 3957.7783 20554.7275 14494.0266 238.0831 -203417.2826 2471.6824 0.0000 0.0000 51982.7533 -109718.2312 298.7456 -161700.9845 -109348.1913 298.6711 -78.6981 -51.5089 760993.6509 30.9941 30.9924 PRESSURE: 1031200 279.021 -10.8388 -69.9576 -10.8392 -175.784 101.324 -69.9585 101.324 123.506 GPRESSURE: 1031200 213.835 25.8017 -62.59 25.9806 -0.356825 69.0313 -139.583 47.4078 84.3968 PRESSAVG: 1031200 -49.2928 -68.9141 -47.0471 -68.914 110.946 13.7153 -47.047 13.7153 -6.81213 GPRESSAVG: 1031200 -50.2317 -67.0992 -46.733 -69.5354 111.65 15.0754 -49.2565 13.5848 -6.97614 TIMING: 1031200 CPU: 3263.51, 0.00313673/step Wall: 3263.51, 0.00313673/step, 3.45807 hours remaining, 237.503906 MB of memory in use. ENERGY: 1031200 4031.2295 20503.2813 14538.1177 257.0034 -203530.0411 2774.5861 0.0000 0.0000 51926.5199 -109499.3032 298.4224 -161425.8231 -109135.5371 298.4434 75.5812 99.2917 759677.7184 18.2805 18.1474 PRESSURE: 1031400 32.5901 45.6905 -86.0327 45.6908 159.348 44.4647 -86.0331 44.4652 553.179 GPRESSURE: 1031400 84.6638 -31.2448 -50.1753 18.486 176.138 49.0113 -55.556 -7.21392 555.454 PRESSAVG: 1031400 -68.5496 -19.83 4.69177 -19.8301 38.9079 -16.2588 4.69178 -16.2587 -20.8122 GPRESSAVG: 1031400 -69.1301 -19.7126 5.3259 -22.2921 39.044 -19.0447 6.41296 -17.5261 -20.8854 TIMING: 1031400 CPU: 3264.14, 0.0031423/step Wall: 3264.14, 0.00314229/step, 3.46403 hours remaining, 237.503906 MB of memory in use. ENERGY: 1031400 3934.9551 20405.4008 14518.6860 254.6107 -203155.9328 2572.4470 0.0000 0.0000 52023.9658 -109445.8674 298.9824 -161469.8332 -109087.5011 298.8449 248.3723 272.0854 760136.7269 -16.8180 -16.9905 PRESSURE: 1031600 -263.003 -184.66 -57.3824 -184.66 200.456 80.5987 -57.3814 80.5983 32.9604 GPRESSURE: 1031600 -165.743 -193.492 -52.4997 -160.554 215.27 70.0726 -95.4469 34.3043 -4.96196 PRESSAVG: 1031600 -59.5193 -11.3623 0.0847964 -11.3623 49.7461 8.78004 0.0847418 8.78007 -1.91329 GPRESSAVG: 1031600 -59.5265 -9.68526 0.0256345 -11.9599 49.3624 10.2143 0.482842 9.90475 -0.970551 TIMING: 1031600 CPU: 3264.77, 0.00312672/step Wall: 3264.77, 0.00312672/step, 3.44669 hours remaining, 237.503906 MB of memory in use. ENERGY: 1031600 3913.7153 20567.4548 14506.2205 236.5407 -203268.8289 2587.0381 0.0000 0.0000 51938.5849 -109519.2746 298.4918 -161457.8595 -109158.2759 298.9188 -9.8623 14.8551 758900.0559 -3.8955 -3.7115 PRESSURE: 1031800 261.815 101.887 181.273 101.887 -97.9853 -171.177 181.274 -171.177 -107.09 GPRESSURE: 1031800 255.937 85.0194 103.396 79.0223 -69.2851 -219.442 126.429 -225.741 -36.9362 PRESSAVG: 1031800 -38.6039 -20.2435 8.11727 -20.2436 63.5707 -12.1617 8.11725 -12.1617 3.00944 GPRESSAVG: 1031800 -37.2674 -21.0111 7.51265 -18.8247 62.6459 -10.8929 6.63207 -13.5271 2.99285 TIMING: 1031800 CPU: 3265.4, 0.00315174/step Wall: 3265.4, 0.00315174/step, 3.47409 hours remaining, 237.503906 MB of memory in use. ENERGY: 1031800 3991.6394 20474.9886 14577.1388 227.3871 -203254.7127 2649.0774 0.0000 0.0000 51864.8187 -109469.6627 298.0678 -161334.4814 -109107.3795 298.9111 18.9132 49.9051 761295.6280 9.3254 9.4571 PRESSURE: 1032000 -510.532 18.2547 111.975 18.256 -316.467 125.219 111.975 125.219 -152.813 GPRESSURE: 1032000 -515.608 8.23004 111.043 -59.2197 -301.899 111.413 110.133 -97.3361 -113.001 PRESSAVG: 1032000 -60.3189 -14.5221 35.879 -14.5221 17.8568 35.6384 35.8789 35.6384 -2.14676 GPRESSAVG: 1032000 -61.5817 -12.9444 35.3012 -13.1508 18.437 34.6005 37.7343 36.3953 -0.970311 TIMING: 1032000 CPU: 3266.03, 0.00315322/step Wall: 3266.03, 0.00315322/step, 3.47555 hours remaining, 237.503906 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: 1032000 3994.2382 20550.2565 14474.0492 240.6400 -203279.9825 2361.3124 0.0000 0.0000 52099.2346 -109560.2516 299.4150 -161659.4862 -109202.4335 298.7805 -326.6039 -310.1693 760178.6959 -14.8696 -14.7050 PRESSURE: 1032200 420.337 304.502 134.952 304.502 116.372 -123.15 134.952 -123.15 153.69 GPRESSURE: 1032200 440.707 246.184 142.25 380.044 130.325 -110.986 139.921 -84.8099 196.52 PRESSAVG: 1032200 -12.3145 30.1263 50.561 30.1263 25.1485 -32.0816 50.561 -32.0817 2.24858 GPRESSAVG: 1032200 -10.4064 27.8752 50.5233 28.96 24.9746 -31.9396 49.2747 -31.5838 0.380321 TIMING: 1032200 CPU: 3266.66, 0.0031682/step Wall: 3266.66, 0.0031682/step, 3.49189 hours remaining, 237.503906 MB of memory in use. ENERGY: 1032200 4044.7606 20537.1693 14484.7959 252.8666 -203713.7483 2869.0528 0.0000 0.0000 51866.2152 -109658.8880 298.0759 -161525.1032 -109304.7160 299.3159 230.1329 255.8506 759382.3083 5.0275 4.9828 LDB: ============= START OF LOAD BALANCING ============== 3279.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3279.11 LDB: =============== DONE WITH MIGRATION ================ 3279.11 LDB: ============= START OF LOAD BALANCING ============== 3279.43 LDB: Largest compute 7032 load 0.039122 is 20.1% of average load 0.195062 LDB: Average compute 0.004399 is 2.3% of average load 0.195062 LDB: TIME 3279.43 LOAD: AVG 0.195062 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 3279.43 LOAD: AVG 0.195062 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: TIME 3279.43 LOAD: AVG 0.195062 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: ============== END OF LOAD BALANCING =============== 3279.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3279.44 PRESSURE: 1032400 235.778 -14.3944 -186.113 -14.3942 -48.3858 -143.273 -186.114 -143.273 139.265 GPRESSURE: 1032400 177.991 -45.7658 -150.963 -40.0161 72.914 -86.2779 -249.323 -66.9218 158.861 PRESSAVG: 1032400 23.837 17.9496 -34.5751 17.9496 -1.09278 -52.1858 -34.5751 -52.1859 0.797703 GPRESSAVG: 1032400 23.1726 19.0032 -32.9627 16.1072 0.233482 -51.5745 -34.9265 -53.4665 0.888959 TIMING: 1032400 CPU: 3267.3, 0.00321846/step Wall: 3267.3, 0.00321846/step, 3.5471 hours remaining, 237.613281 MB of memory in use. ENERGY: 1032400 3968.6822 20379.7695 14521.9200 269.1760 -203650.9553 2670.0925 0.0000 0.0000 52095.3715 -109745.9435 299.3928 -161841.3151 -109379.8194 298.7582 108.8858 136.5886 760416.6550 7.8473 8.0984 PRESSURE: 1032600 201.427 33.1654 44.4565 33.1658 -279.204 -249.606 44.4565 -249.607 410.094 GPRESSURE: 1032600 143.23 20.9841 57.9029 14.6207 -204.819 -220.667 87.0656 -204.174 490.577 PRESSAVG: 1032600 34.9102 -5.59607 12.003 -5.59608 6.10903 25.9069 12.003 25.9069 1.73686 GPRESSAVG: 1032600 34.0917 -4.4882 10.1302 -5.77645 4.83072 24.5857 10.72 28.0992 3.6037 TIMING: 1032600 CPU: 3267.93, 0.00314465/step Wall: 3267.93, 0.00314465/step, 3.46558 hours remaining, 237.816406 MB of memory in use. ENERGY: 1032600 3928.1057 20515.9812 14535.9253 245.1404 -203501.8396 2425.1344 0.0000 0.0000 51873.3412 -109978.2114 298.1168 -161851.5526 -109620.3687 297.9120 110.7722 142.9963 760210.6236 14.2520 14.1754 PRESSURE: 1032800 48.0777 26.4882 169.601 26.4885 43.2628 14.1868 169.601 14.1877 -12.8211 GPRESSURE: 1032800 79.9597 -22.744 209.634 69.9997 53.2881 104.688 79.0512 -8.30881 42.487 PRESSAVG: 1032800 4.61945 -5.38165 28.5234 -5.3816 3.79949 -27.7057 28.5235 -27.7057 16.2534 GPRESSAVG: 1032800 5.33653 -7.97025 29.8567 -2.72225 3.47055 -26.4092 29.0141 -28.6035 15.6811 TIMING: 1032800 CPU: 3268.56, 0.00315805/step Wall: 3268.56, 0.00315805/step, 3.48017 hours remaining, 237.816406 MB of memory in use. ENERGY: 1032800 3985.0317 20430.6249 14483.5540 261.7388 -203597.0690 2544.1816 0.0000 0.0000 51800.2233 -110091.7147 297.6966 -161891.9380 -109735.1448 298.1109 26.1732 58.5783 760370.7063 8.2241 8.1627 PRESSURE: 1033000 -163.088 28.3362 64.9735 28.3363 -227.156 38.8754 64.9729 38.8762 64.7119 GPRESSURE: 1033000 -170.325 61.4582 31.2229 111.596 -172.164 147.967 19.4445 -80.3731 81.3464 PRESSAVG: 1033000 36.8245 -2.69487 24.6679 -2.69481 -32.7218 20.8359 24.6678 20.836 -22.0368 GPRESSAVG: 1033000 35.939 -0.857473 23.7916 -3.4886 -32.8214 21.5 26.9993 19.5598 -21.5711 TIMING: 1033000 CPU: 3269.2, 0.00316794/step Wall: 3269.2, 0.00316794/step, 3.4909 hours remaining, 237.816406 MB of memory in use. ENERGY: 1033000 3885.5552 20592.5087 14473.9614 242.4408 -203538.5854 2577.4206 0.0000 0.0000 51751.0525 -110015.6462 297.4140 -161766.6987 -109658.9653 298.3044 -108.5107 -87.0475 762378.6379 -5.9780 -6.1512 PRESSURE: 1033200 -61.6927 0.383614 -1.18276 0.381963 -14.5782 201.962 -1.18347 201.962 192.418 GPRESSURE: 1033200 -187.227 43.3133 -23.9656 81.1927 96.9048 243.06 88.5719 151.466 299.016 PRESSAVG: 1033200 7.82477 -7.23631 -19.2763 -7.23636 17.9335 0.913541 -19.2763 0.913509 -7.44789 GPRESSAVG: 1033200 6.15059 -6.89042 -18.9908 -7.67941 19.209 -0.456201 -20.9532 1.515 -7.14365 TIMING: 1033200 CPU: 3269.83, 0.0031511/step Wall: 3269.83, 0.0031511/step, 3.47216 hours remaining, 237.816406 MB of memory in use. ENERGY: 1033200 3981.3484 20342.5698 14445.8265 237.9392 -203702.5406 2864.0870 0.0000 0.0000 51891.7225 -109939.0473 298.2224 -161830.7698 -109584.8914 298.0618 38.7158 69.5646 760701.1080 6.1035 6.0720 PRESSURE: 1033400 7.52569 36.0582 140.34 36.0581 120.519 -166.096 140.341 -166.097 293.996 GPRESSURE: 1033400 36.0049 63.9018 155.674 -68.7638 159.103 -109.117 209.182 -155.226 319.232 PRESSAVG: 1033400 -9.60199 -50.7239 -8.69013 -50.7238 40.2055 -21.9506 -8.69009 -21.9507 -30.7746 GPRESSAVG: 1033400 -6.22128 -51.8416 -9.8703 -52.0441 37.8049 -20.8234 -7.12702 -22.8276 -31.8648 TIMING: 1033400 CPU: 3270.46, 0.00315608/step Wall: 3270.46, 0.00315608/step, 3.47747 hours remaining, 237.816406 MB of memory in use. ENERGY: 1033400 3948.0709 20491.9923 14467.1692 255.3187 -203511.2491 2751.5958 0.0000 0.0000 51642.5131 -109954.5892 296.7902 -161597.1023 -109600.9849 297.6609 140.6803 171.4466 762104.6665 -0.0570 -0.0937 PRESSURE: 1033600 68.905 -99.904 164.338 -99.9037 26.9235 -14.7401 164.337 -14.7392 258.576 GPRESSURE: 1033600 174.681 -36.6258 32.8734 -60.4925 58.5727 13.7189 211.342 -2.32124 226.303 PRESSAVG: 1033600 -49.4709 -24.9647 50.5291 -24.9647 18.8465 -14.5755 50.5291 -14.5755 -22.2579 GPRESSAVG: 1033600 -51.3753 -22.676 52.6173 -25.4324 20.269 -14.9615 49.192 -13.3499 -21.903 TIMING: 1033600 CPU: 3271.09, 0.00315363/step Wall: 3271.09, 0.00315363/step, 3.4746 hours remaining, 237.816406 MB of memory in use. ENERGY: 1033600 4040.0584 20441.0793 14503.6868 259.6104 -203462.6613 2672.4380 0.0000 0.0000 51897.1522 -109648.6362 298.2536 -161545.7884 -109282.4026 298.4826 118.1347 153.1855 761198.3783 -17.6274 -17.6698 PRESSURE: 1033800 -236.166 214.965 153.393 214.965 13.2552 370.984 153.393 370.983 -173.008 GPRESSURE: 1033800 -166.113 196.928 175.715 148.302 37.0414 278.945 255.592 271.839 -189.447 PRESSAVG: 1033800 32.9238 8.95406 -18.8451 8.95405 -27.0182 -32.8701 -18.8452 -32.8701 -7.15285 GPRESSAVG: 1033800 33.0599 6.78748 -20.0576 9.44901 -26.9626 -33.1471 -19.4151 -33.1291 -7.24241 TIMING: 1033800 CPU: 3271.73, 0.00317563/step Wall: 3271.73, 0.00317563/step, 3.49866 hours remaining, 237.816406 MB of memory in use. ENERGY: 1033800 3953.5446 20421.8282 14466.1994 250.2464 -203352.7987 2652.5616 0.0000 0.0000 51796.7945 -109811.6240 297.6769 -161608.4184 -109450.6485 298.6007 -131.9729 -106.1728 761975.4424 -0.4157 -0.3817 PRESSURE: 1034000 -120.842 36.5487 -49.5318 36.5488 -36.1382 1.29825 -49.5311 1.29821 -129.494 GPRESSURE: 1034000 -75.9841 63.4253 -133.844 75.9627 -68.7408 -13.8916 -29.0256 -4.27255 -57.0137 PRESSAVG: 1034000 35.4722 -20.0061 -40.8437 -20.006 1.01233 16.9828 -40.8437 16.9828 -27.3984 GPRESSAVG: 1034000 35.9935 -19.4664 -40.2797 -18.0898 -0.191828 15.2907 -42.1501 18.247 -26.7862 TIMING: 1034000 CPU: 3272.36, 0.00316533/step Wall: 3272.36, 0.00316533/step, 3.48714 hours remaining, 237.816406 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: 1034000 4031.6472 20425.7544 14430.9985 256.6640 -203660.8889 2705.5130 0.0000 0.0000 52087.7045 -109722.6073 299.3488 -161810.3118 -109366.6346 298.1693 -95.4915 -67.2462 760666.2930 3.0287 3.0051 PRESSURE: 1034200 50.1935 -81.4911 -45.8433 -81.4914 -40.6933 55.7451 -45.8437 55.7457 140.713 GPRESSURE: 1034200 149.667 -37.3387 -86.1572 41.9681 -14.0957 2.73847 -68.5493 21.9882 99.9151 PRESSAVG: 1034200 -1.02846 13.6418 -45.0425 13.6418 16.0697 23.2002 -45.0425 23.2003 2.31094 GPRESSAVG: 1034200 -1.76011 12.1078 -45.2124 13.8546 17.4425 22.9041 -43.6116 21.7929 1.44149 TIMING: 1034200 CPU: 3272.99, 0.00316867/step Wall: 3272.99, 0.00316867/step, 3.49065 hours remaining, 237.816406 MB of memory in use. ENERGY: 1034200 3982.7490 20519.8122 14419.9566 246.7594 -203358.1736 2639.4893 0.0000 0.0000 51693.8715 -109855.5357 297.0854 -161549.4072 -109493.5012 298.1612 50.0712 78.4955 762425.8478 5.7841 5.7080 PRESSURE: 1034400 -126.245 -127.736 -132.213 -127.736 43.4677 171.314 -132.213 171.314 16.2121 GPRESSURE: 1034400 -61.5968 -83.3437 -111.709 -147.714 85.2576 110.175 -132.608 92.3504 1.48906 PRESSAVG: 1034400 -26.716 -8.06534 -8.97099 -8.06533 24.3325 -8.29263 -8.97103 -8.29266 -8.11538 GPRESSAVG: 1034400 -26.5789 -7.75388 -8.73265 -7.16596 24.5855 -8.26781 -8.32545 -8.0763 -8.25854 TIMING: 1034400 CPU: 3273.63, 0.00319682/step Wall: 3273.63, 0.00319682/step, 3.52147 hours remaining, 237.816406 MB of memory in use. ENERGY: 1034400 3961.7496 20357.7114 14466.4066 260.4311 -203012.2913 2540.8246 0.0000 0.0000 51667.8881 -109757.2799 296.9361 -161425.1680 -109385.9621 297.8976 -22.1885 8.3833 764818.0978 -3.4996 -3.4173 PRESSURE: 1034600 117.304 83.6747 7.14817 83.6741 416.157 -328.115 7.14821 -328.115 272.133 GPRESSURE: 1034600 169.065 144.523 16.4049 31.0589 444.506 -271.545 20.4444 -371.294 274.312 PRESSAVG: 1034600 -5.1844 1.05083 24.3314 1.05078 -9.01373 -18.8069 24.3314 -18.8069 5.23014 GPRESSAVG: 1034600 -5.54778 1.84765 23.963 -1.09643 -8.79911 -17.3876 21.5299 -19.8415 5.31334 TIMING: 1034600 CPU: 3274.27, 0.0031785/step Wall: 3274.27, 0.0031785/step, 3.50112 hours remaining, 237.816406 MB of memory in use. ENERGY: 1034600 3941.9210 20419.1680 14618.3130 259.4676 -203285.8284 2780.9616 0.0000 0.0000 51620.5615 -109645.4357 296.6641 -161265.9972 -109290.4210 297.9236 268.5317 295.9611 761658.5902 -2.9893 -3.0112 PRESSURE: 1034800 577.337 -238.249 125.45 -238.25 87.2446 -24.8008 125.449 -24.8014 235.042 GPRESSURE: 1034800 587.862 -288.895 129.197 -151.238 189.452 16.3052 215.082 -114.298 207.002 PRESSAVG: 1034800 39.8199 -7.33226 24.7927 -7.33229 -2.64713 -68.5578 24.7927 -68.5578 -14.9533 GPRESSAVG: 1034800 39.6965 -8.46424 26.3167 -6.51808 -2.80418 -69.4824 24.9039 -68.4716 -14.3 TIMING: 1034800 CPU: 3274.9, 0.0031691/step Wall: 3274.9, 0.0031691/step, 3.49058 hours remaining, 237.816406 MB of memory in use. ENERGY: 1034800 3925.5821 20524.6495 14494.4730 238.5469 -203810.3005 3031.4084 0.0000 0.0000 52159.6907 -109435.9501 299.7625 -161595.6408 -109077.8515 298.5451 299.8747 328.1054 759528.7585 7.4065 7.5308 PRESSURE: 1035000 -230.002 25.1798 -196.944 25.1803 200.072 -229.079 -196.945 -229.08 -41.3012 GPRESSURE: 1035000 -132.088 -2.59317 -264.84 -126.449 239.382 -162.383 -157.952 -151.232 -108.707 PRESSAVG: 1035000 -13.3608 -34.5875 9.59708 -34.5875 36.5211 -88.2542 9.59712 -88.2542 18.2012 GPRESSAVG: 1035000 -11.2512 -34.9488 8.20398 -32.898 35.8084 -87.1337 9.92131 -86.0896 16.7 TIMING: 1035000 CPU: 3275.53, 0.00314629/step Wall: 3275.53, 0.0031463/step, 3.46529 hours remaining, 237.816406 MB of memory in use. ENERGY: 1035000 4015.8324 20410.0418 14461.6836 247.8942 -203118.6795 2523.0932 0.0000 0.0000 52059.7898 -109400.3445 299.1883 -161460.1343 -109030.9069 299.0716 -23.7435 -0.4707 762001.5314 13.7871 13.7524 PRESSURE: 1035200 -263.66 -39.3203 -130.197 -39.3187 -200.36 74.6543 -130.197 74.6536 -356.534 GPRESSURE: 1035200 -218.375 -42.8284 2.60037 -148.167 -206.401 1.90801 -182.021 59.4726 -314.814 PRESSAVG: 1035200 7.79419 -54.2612 -58.1294 -54.2612 -14.8899 -0.992255 -58.1294 -0.992359 -16.5931 GPRESSAVG: 1035200 7.31507 -52.6884 -58.6921 -56.4236 -15.3924 -1.76188 -56.3598 -3.53526 -15.4852 TIMING: 1035200 CPU: 3276.16, 0.00314966/step Wall: 3276.16, 0.00314966/step, 3.46882 hours remaining, 237.816406 MB of memory in use. ENERGY: 1035200 4043.0214 20401.7042 14496.0588 263.9618 -202963.1964 2370.8720 0.0000 0.0000 52035.6570 -109351.9211 299.0496 -161387.5781 -108982.4295 298.9772 -273.5183 -246.5298 763021.9192 -7.8963 -7.8542 PRESSURE: 1035400 322.134 -97.5673 156.259 -97.5683 364.635 -13.5391 156.26 -13.5383 100.842 GPRESSURE: 1035400 305.116 -107.013 123.666 -88.334 329.986 -55.3674 128.079 228.349 242.23 PRESSAVG: 1035400 10.1963 59.5968 -9.99024 59.5968 -51.4151 33.2751 -9.99018 33.2751 1.97311 GPRESSAVG: 1035400 9.58642 58.5677 -10.9481 60.3212 -50.7128 31.7974 -10.2672 34.433 1.52419 TIMING: 1035400 CPU: 3276.79, 0.00316472/step Wall: 3276.79, 0.00316472/step, 3.48524 hours remaining, 237.816406 MB of memory in use. ENERGY: 1035400 3958.5073 20579.4737 14472.5355 253.2717 -203293.2071 2877.2804 0.0000 0.0000 51960.9126 -109191.2259 298.6201 -161152.1385 -108825.8707 298.5423 262.5369 292.4442 762536.0072 -13.0819 -13.2007 PRESSURE: 1035600 -274.286 -166.189 -151.493 -166.189 -350.193 -1.13404 -151.493 -1.13409 -55.5536 GPRESSURE: 1035600 -166.768 -46.8332 -118.407 -255.84 -294.347 -35.9807 -84.1561 -18.426 -108.467 PRESSAVG: 1035600 17.565 29.3986 -19.5649 29.3986 -43.9631 -39.368 -19.5649 -39.368 26.2731 GPRESSAVG: 1035600 16.8393 28.7225 -17.824 30.2956 -43.4252 -40.4728 -17.9866 -37.165 26.0016 TIMING: 1035600 CPU: 3277.43, 0.0031746/step Wall: 3277.43, 0.0031746/step, 3.49594 hours remaining, 237.816406 MB of memory in use. ENERGY: 1035600 3996.2271 20473.5392 14465.3753 244.0419 -203021.2124 2431.7763 0.0000 0.0000 52056.4083 -109353.8443 299.1689 -161410.2526 -108985.3085 298.7682 -226.6775 -189.8607 764113.4226 -0.0417 -0.1948 PRESSURE: 1035800 -123.82 244.074 202.277 244.073 -326.561 -178.255 202.277 -178.255 194.055 GPRESSURE: 1035800 -116.928 219.502 285.853 289.098 -305.009 -137.306 146.756 -174.963 253.511 PRESSAVG: 1035800 12.5908 -26.9431 10.7897 -26.9431 1.4181 -52.1229 10.7897 -52.1229 9.5143 GPRESSAVG: 1035800 13.2836 -24.1092 12.1702 -27.1102 0.478559 -50.3599 10.0618 -53.9367 9.86382 TIMING: 1035800 CPU: 3278.06, 0.00318288/step Wall: 3278.06, 0.00318288/step, 3.50488 hours remaining, 237.816406 MB of memory in use. ENERGY: 1035800 4001.8565 20416.7412 14392.3125 245.7650 -203261.9278 2786.7085 0.0000 0.0000 52059.0119 -109359.5323 299.1839 -161418.5442 -109006.0947 299.1578 -85.4420 -56.1420 762451.2857 7.8411 7.8753 PRESSURE: 1036000 -258.197 -108.768 -256.078 -108.768 -262.776 -89.8041 -256.078 -89.8051 -38.1668 GPRESSURE: 1036000 -319.522 -34.511 -298.825 -86.8125 -282.5 -88.6961 -232.991 109.344 95.9904 PRESSAVG: 1036000 15.4105 -4.39624 38.3351 -4.39621 -7.04679 -0.0163349 38.3351 -0.0163516 -28.2156 GPRESSAVG: 1036000 16.4947 -5.81769 36.8828 -6.41394 -8.46795 1.50869 38.9351 1.43019 -27.5709 TIMING: 1036000 CPU: 3278.7, 0.00317873/step Wall: 3278.7, 0.00317873/step, 3.50013 hours remaining, 237.816406 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: 1036000 4075.9599 20512.0045 14489.4893 243.2570 -202750.9898 2438.2285 0.0000 0.0000 51707.6166 -109284.4339 297.1644 -160992.0505 -108939.0209 299.4558 -186.3801 -168.6772 763178.1735 -6.6173 -6.5147 PRESSURE: 1036200 7.0265 14.8795 109.144 14.8793 57.9162 199.027 109.145 199.025 1.81758 GPRESSURE: 1036200 9.55329 98.3981 87.4261 -55.0472 97.3734 92.5228 3.9211 170.211 20.0776 PRESSAVG: 1036200 -10.4623 18.3331 -0.190702 18.3331 -13.4268 30.987 -0.190664 30.9869 3.1315 GPRESSAVG: 1036200 -10.4034 16.8634 0.264793 17.2944 -12.0439 28.9388 -1.65048 30.2034 1.70825 TIMING: 1036200 CPU: 3279.33, 0.00316521/step Wall: 3279.33, 0.00316521/step, 3.48507 hours remaining, 237.816406 MB of memory in use. ENERGY: 1036200 3936.6876 20495.1036 14452.1397 251.9044 -202684.8786 2418.6889 0.0000 0.0000 52117.0001 -109013.3543 299.5171 -161130.3544 -108649.6007 299.2916 22.2534 42.3348 765180.0338 -6.9192 -6.9130 LDB: ============= START OF LOAD BALANCING ============== 3291.79 LDB: ============== END OF LOAD BALANCING =============== 3291.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3291.79 LDB: ============= START OF LOAD BALANCING ============== 3292.11 LDB: Largest compute 7032 load 0.035536 is 18.2% of average load 0.195178 LDB: Average compute 0.004391 is 2.2% of average load 0.195178 LDB: TIME 3292.11 LOAD: AVG 0.195178 MAX 0.213738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.613 MB LDB: TIME 3292.11 LOAD: AVG 0.195178 MAX 0.213738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.688 MB LDB: TIME 3292.11 LOAD: AVG 0.195178 MAX 0.213738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.688 MB LDB: ============== END OF LOAD BALANCING =============== 3292.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3292.12 PRESSURE: 1036400 202.563 -11.3664 59.3934 -11.3651 96.0059 -259.299 59.3942 -259.298 53.3774 GPRESSURE: 1036400 169.118 -86.7477 74.8068 44.4828 188.022 -281.87 38.4105 -261.259 87.1658 PRESSAVG: 1036400 -36.5675 -6.91556 -3.54015 -6.91557 61.9816 6.48874 -3.54013 6.48871 18.6514 GPRESSAVG: 1036400 -37.6323 -7.59361 -4.20214 -3.60523 62.1726 8.24432 -3.53565 6.61108 20.4376 TIMING: 1036400 CPU: 3279.98, 0.00324019/step Wall: 3279.98, 0.00324019/step, 3.56745 hours remaining, 237.933594 MB of memory in use. ENERGY: 1036400 3899.5875 20413.7677 14485.9736 246.9728 -203166.4565 2821.5101 0.0000 0.0000 52036.6801 -109261.9648 299.0555 -161298.6449 -108903.6375 299.7397 117.3153 148.1020 762781.3431 14.6885 14.9926 PRESSURE: 1036600 157.506 177.576 9.18571 177.575 -95.7594 7.00945 9.18632 7.01004 -280.277 GPRESSURE: 1036600 173.046 215.931 21.3952 105.297 -105.577 -10.1266 -39.4374 68.5981 -236.282 PRESSAVG: 1036600 25.7854 0.891775 9.54985 0.891776 -21.1882 35.1357 9.5498 35.1357 35.2163 GPRESSAVG: 1036600 26.4339 1.76905 8.60767 -0.411588 -21.2276 35.8085 10.8196 34.9768 34.9835 TIMING: 1036600 CPU: 3280.61, 0.00316021/step Wall: 3280.61, 0.00316021/step, 3.47922 hours remaining, 238.136719 MB of memory in use. ENERGY: 1036600 3913.1161 20686.0156 14463.4379 214.5631 -203211.5906 2686.2021 0.0000 0.0000 51757.5473 -109490.7086 297.4513 -161248.2558 -109128.0113 298.6209 -72.8437 -56.2711 762516.0927 13.2712 13.3966 PRESSURE: 1036800 241.769 -208.993 172.492 -208.993 -88.303 -161.338 172.491 -161.338 215.941 GPRESSURE: 1036800 271.11 -306.999 169.549 -185.4 -11.8336 -259.96 113.435 -36.866 196.65 PRESSAVG: 1036800 1.54013 -41.5205 66.5582 -41.5205 9.88358 -60.3928 66.5581 -60.3928 -8.55868 GPRESSAVG: 1036800 1.30995 -42.0256 67.5362 -41.6624 10.4213 -61.5855 66.2023 -60.3996 -8.70012 TIMING: 1036800 CPU: 3281.25, 0.00317791/step Wall: 3281.25, 0.00317791/step, 3.49853 hours remaining, 238.136719 MB of memory in use. ENERGY: 1036800 3900.0562 20541.8916 14479.1029 241.2475 -203558.3095 2928.6189 0.0000 0.0000 52007.0498 -109460.3427 298.8852 -161467.3925 -109102.9505 298.8416 123.1356 151.9756 761139.6017 0.9550 1.0104 PRESSURE: 1037000 -65.0432 -103.064 154.756 -103.066 113.282 170.767 154.757 170.767 -268.841 GPRESSURE: 1037000 -82.4114 -230.292 107.321 -178.951 218.567 260.012 133.949 310.937 -272.409 PRESSAVG: 1037000 16.8069 -24.7353 9.03058 -24.7352 0.745358 9.91407 9.03062 9.914 9.2854 GPRESSAVG: 1037000 18.506 -25.3709 9.84253 -26.167 -1.40422 11.5407 9.1923 9.24523 9.85695 TIMING: 1037000 CPU: 3281.88, 0.00317902/step Wall: 3281.88, 0.00317902/step, 3.49957 hours remaining, 238.136719 MB of memory in use. ENERGY: 1037000 3996.5834 20699.1815 14480.8352 216.2863 -203799.0309 2873.4509 0.0000 0.0000 52315.3736 -109217.3201 300.6572 -161532.6937 -108851.8773 299.0681 -73.5342 -45.4177 760873.7667 8.9459 8.9862 PRESSURE: 1037200 50.3925 -63.9083 50.2014 -63.9074 -297.135 -74.7517 50.2022 -74.7515 45.2604 GPRESSURE: 1037200 49.3136 -43.1269 -34.3297 -1.11932 -240.834 -96.4041 70.9238 -85.2299 71.4089 PRESSAVG: 1037200 31.6356 36.2106 7.06472 36.2107 -16.6649 30.0506 7.06478 30.0506 6.46549 GPRESSAVG: 1037200 30.0827 37.0014 6.25614 38.3192 -14.5302 28.5403 6.26108 29.9385 5.96419 TIMING: 1037200 CPU: 3282.52, 0.00318898/step Wall: 3282.52, 0.00318898/step, 3.51035 hours remaining, 238.136719 MB of memory in use. ENERGY: 1037200 4041.7784 20323.0079 14458.8477 250.9000 -203268.4337 2431.4462 0.0000 0.0000 52124.2722 -109638.1813 299.5589 -161762.4535 -109264.0227 299.0420 -67.1608 -40.0370 762407.6664 7.1454 7.1722 PRESSURE: 1037400 -391.2 -273.016 177.701 -273.016 -534.686 -17.8729 177.7 -17.8734 -148.815 GPRESSURE: 1037400 -342.823 -305.668 201.979 -298.099 -439.275 -9.36354 176.292 8.5222 -211.156 PRESSAVG: 1037400 34.4334 -38.0167 12.1283 -38.0166 -36.0605 -10.6803 12.1283 -10.6803 1.83784 GPRESSAVG: 1037400 34.6561 -36.7557 11.5783 -39.1831 -37.7 -9.34819 13.2831 -9.50248 3.35025 TIMING: 1037400 CPU: 3283.16, 0.00319362/step Wall: 3283.16, 0.00319362/step, 3.51529 hours remaining, 238.136719 MB of memory in use. ENERGY: 1037400 4004.1779 20389.3447 14428.0835 255.6890 -203221.7342 2289.3473 0.0000 0.0000 52200.4756 -109654.6161 299.9969 -161855.0917 -109280.7513 298.7819 -358.2334 -331.0846 762469.5832 0.0702 0.1021 PRESSURE: 1037600 -91.0255 -152.476 103.718 -152.476 48.5844 251.721 103.719 251.721 -349.391 GPRESSURE: 1037600 -103.958 -63.9461 157.577 -119.625 129.233 239.861 150.94 176.46 -305.823 PRESSAVG: 1037600 -13.2584 -72.3366 32.5784 -72.3367 38.8931 -19.6845 32.5784 -19.6844 26.7193 GPRESSAVG: 1037600 -13.6281 -74.1332 32.7482 -71.8107 41.6961 -18.5922 34.0769 -22.3121 24.4995 TIMING: 1037600 CPU: 3283.8, 0.00318372/step Wall: 3283.8, 0.00318372/step, 3.50421 hours remaining, 238.136719 MB of memory in use. ENERGY: 1037600 4004.4390 20593.4374 14500.2027 236.5671 -203226.5628 2424.8010 0.0000 0.0000 52002.1633 -109464.9524 298.8571 -161467.1157 -109100.6805 299.3161 -130.6107 -93.5160 762093.3866 17.4513 17.5225 PRESSURE: 1037800 -1.38225 -31.4315 10.8988 -31.4322 8.72137 179.78 10.8985 179.78 231.379 GPRESSURE: 1037800 -89.4244 -13.8095 -113.698 1.59844 129.977 245.655 -2.25385 80.4231 263.792 PRESSAVG: 1037800 -24.3569 -88.6998 24.9491 -88.6998 36.04 -1.84113 24.9491 -1.8411 -30.412 GPRESSAVG: 1037800 -23.9514 -86.9129 24.1719 -87.3875 35.0961 -2.55526 23.818 -1.00683 -29.6833 TIMING: 1037800 CPU: 3284.43, 0.00318422/step Wall: 3284.43, 0.00318422/step, 3.50459 hours remaining, 238.136719 MB of memory in use. ENERGY: 1037800 3999.9591 20582.9673 14493.3366 240.6704 -203208.5583 2663.4298 0.0000 0.0000 51670.2630 -109557.9322 296.9497 -161228.1951 -109195.8871 298.6977 79.5728 101.4483 762404.3532 -6.2430 -6.1795 PRESSURE: 1038000 79.355 -37.6601 -45.2564 -37.6596 -94.2516 62.7018 -45.2565 62.7015 -153.347 GPRESSURE: 1038000 -34.39 -4.24067 -126.751 -106.127 110.872 2.60402 205.873 94.6732 -152.768 PRESSAVG: 1038000 -19.4975 -56.6239 -17.1787 -56.6239 31.4684 23.4631 -17.1787 23.4631 -8.42226 GPRESSAVG: 1038000 -20.3406 -57.5396 -16.3547 -57.3466 31.8204 23.4092 -17.5108 24.8622 -7.54691 TIMING: 1038000 CPU: 3285.07, 0.00317317/step Wall: 3285.07, 0.00317317/step, 3.49225 hours remaining, 238.136719 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: 1038000 3969.2734 20483.8995 14523.6490 265.0208 -203381.2173 2626.3052 0.0000 0.0000 51684.7113 -109828.3580 297.0327 -161513.0693 -109469.5656 298.6869 -56.0813 -25.4288 760863.3462 1.1829 1.3110 PRESSURE: 1038200 -286.522 -222.347 10.8652 -222.347 455.173 210.908 10.8654 210.909 57.8566 GPRESSURE: 1038200 -108.113 -183.2 87.1503 -145.206 325.861 212.142 -44.0528 244.062 90.3018 PRESSAVG: 1038200 -0.47762 -80.8098 -17.6113 -80.8097 2.70919 46.9605 -17.6114 46.9606 0.219998 GPRESSAVG: 1038200 0.684922 -79.1885 -16.7194 -81.3676 0.849484 48.3278 -18.2562 46.9109 1.00089 TIMING: 1038200 CPU: 3285.7, 0.00317569/step Wall: 3285.7, 0.00317569/step, 3.49484 hours remaining, 238.136719 MB of memory in use. ENERGY: 1038200 3978.1276 20480.6792 14537.0135 250.6939 -203353.2051 2533.0235 0.0000 0.0000 51736.2325 -109837.4348 297.3288 -161573.6673 -109475.2207 297.8199 75.5028 102.6830 760208.8475 0.8172 0.8451 PRESSURE: 1038400 -82.0893 -117.425 98.3383 -117.424 -45.7478 181.916 98.3382 181.915 -117.645 GPRESSURE: 1038400 -75.6695 -208.061 74.5115 -259.645 46.8712 259.025 14.8543 111.003 -103.159 PRESSAVG: 1038400 -21.663 -22.9905 21.7156 -22.9904 28.7242 20.8939 21.7157 20.8939 -15.5679 GPRESSAVG: 1038400 -22.8836 -23.6913 20.2521 -22.3435 30.9848 20.2136 22.1665 20.5287 -16.7334 TIMING: 1038400 CPU: 3286.33, 0.00315031/step Wall: 3286.33, 0.00315031/step, 3.46674 hours remaining, 238.136719 MB of memory in use. ENERGY: 1038400 3993.6846 20579.4991 14416.6270 247.8378 -203838.1369 2837.5523 0.0000 0.0000 51950.8594 -109812.0766 298.5623 -161762.9360 -109447.9106 298.4865 -81.8275 -43.9858 760177.4384 -2.8355 -2.8774 PRESSURE: 1038600 115.886 -96.4198 169.426 -96.4197 -112.796 68.3015 169.426 68.3013 74.3315 GPRESSURE: 1038600 150.224 -123.489 93.5102 -89.6103 -90.5835 16.9136 114.82 40.8451 110.573 PRESSAVG: 1038600 -95.0073 -73.0087 4.13438 -73.0087 76.891 -6.91705 4.13448 -6.91707 -2.15074 GPRESSAVG: 1038600 -94.0712 -71.9331 3.91869 -75.0611 75.5009 -8.22672 3.72603 -6.2794 -1.49274 TIMING: 1038600 CPU: 3286.97, 0.00315539/step Wall: 3286.97, 0.00315539/step, 3.47216 hours remaining, 238.136719 MB of memory in use. ENERGY: 1038600 3933.1518 20638.4791 14425.9033 269.0190 -203892.0176 2818.8486 0.0000 0.0000 52078.5694 -109728.0462 299.2963 -161806.6156 -109376.7245 298.2912 25.8073 56.7379 760642.6437 -6.7557 -6.6877 PRESSURE: 1038800 -213.639 82.9969 18.8813 82.9971 -225.18 203.881 18.8817 203.881 -68.3928 GPRESSURE: 1038800 -166.427 136.687 108.833 80.064 -190.51 190.811 99.6334 156.02 -64.5209 PRESSAVG: 1038800 20.5492 -56.6835 -44.7008 -56.6835 -2.99765 -44.6371 -44.7007 -44.6371 -2.4986 GPRESSAVG: 1038800 20.5151 -58.0178 -43.3589 -55.7919 -2.08818 -45.3482 -45.0679 -43.7815 -3.18523 TIMING: 1038800 CPU: 3287.61, 0.0032066/step Wall: 3287.61, 0.0032066/step, 3.52832 hours remaining, 238.136719 MB of memory in use. ENERGY: 1038800 4018.5608 20608.8907 14446.1015 237.8343 -203983.8975 2844.0650 0.0000 0.0000 52119.4164 -109709.0289 299.5310 -161828.4452 -109344.3567 298.6695 -169.0704 -140.4858 761061.6041 5.0177 5.0806 PRESSURE: 1039000 -407.827 -77.8178 48.7928 -77.8181 -218.694 18.7177 48.7929 18.7188 -246.898 GPRESSURE: 1039000 -374.25 14.8331 94.9492 -129.432 -179.628 50.7341 97.5075 109.987 -227.849 PRESSAVG: 1039000 -82.7723 -43.8155 13.4386 -43.8154 53.2198 -20.6522 13.4386 -20.6522 -6.6263 GPRESSAVG: 1039000 -82.8547 -43.8248 11.0622 -44.6389 53.6436 -18.618 14.7305 -25.169 -7.02382 TIMING: 1039000 CPU: 3288.24, 0.00318982/step Wall: 3288.24, 0.00318982/step, 3.50969 hours remaining, 238.136719 MB of memory in use. ENERGY: 1039000 4077.2649 20545.8856 14438.5523 241.7324 -203327.2463 2364.0745 0.0000 0.0000 52109.8264 -109549.9103 299.4759 -161659.7367 -109184.2145 298.8897 -291.1395 -260.5759 760035.0561 -12.0596 -12.0783 PRESSURE: 1039200 -204.121 -79.0518 -50.9034 -79.0511 -82.7403 -191.49 -50.9033 -191.491 196.299 GPRESSURE: 1039200 -159.596 -125.816 -42.3442 -51.2009 -107.743 -131.6 6.1664 -131.52 245.855 PRESSAVG: 1039200 -66.1702 21.4045 1.61498 21.4046 66.537 20.0307 1.61507 20.0307 9.15241 GPRESSAVG: 1039200 -66.5045 20.8852 0.137495 24.0443 65.3524 19.8924 2.41373 22.9768 10.9464 TIMING: 1039200 CPU: 3288.88, 0.00318296/step Wall: 3288.88, 0.00318296/step, 3.50197 hours remaining, 238.136719 MB of memory in use. ENERGY: 1039200 3991.0470 20655.1457 14440.1176 229.8995 -203101.2133 2351.6961 0.0000 0.0000 52224.4870 -109208.8205 300.1348 -161433.3075 -108843.1281 299.8659 -30.1877 -7.1615 762234.1815 3.1731 3.2648 PRESSURE: 1039400 307.597 27.2989 333.255 27.2991 173.751 -9.7439 333.255 -9.74377 -348.404 GPRESSURE: 1039400 386.675 -3.26896 301.71 42.0196 193.124 -0.0932074 344.386 116.177 -347.429 PRESSAVG: 1039400 60.4088 -48.4865 34.6477 -48.4865 -46.2273 -0.999823 34.6477 -0.999765 3.3028 GPRESSAVG: 1039400 59.7462 -48.8585 35.4712 -47.7939 -44.462 -0.974186 33.3134 -0.749157 2.25372 TIMING: 1039400 CPU: 3289.51, 0.00316689/step Wall: 3289.51, 0.00316689/step, 3.48411 hours remaining, 238.136719 MB of memory in use. ENERGY: 1039400 3954.7831 20609.2942 14451.2286 248.9428 -203584.9858 2862.2038 0.0000 0.0000 52256.5873 -109201.9460 300.3193 -161458.5333 -108834.3639 300.1259 44.3147 77.4569 762590.4625 5.8281 5.8460 PRESSURE: 1039600 -157.16 -4.09416 -113.055 -4.09398 -25.3731 100.512 -113.055 100.511 -477.758 GPRESSURE: 1039600 -226.292 -53.2067 -51.3149 -35.6721 47.5354 80.7279 -87.9892 15.9827 -401.543 PRESSAVG: 1039600 -19.6921 -35.3524 41.4767 -35.3524 -4.13765 -9.2921 41.4767 -9.29216 -20.4148 GPRESSAVG: 1039600 -18.7742 -34.8709 43.7002 -39.006 -6.16793 -10.1321 39.3959 -10.2322 -19.7609 TIMING: 1039600 CPU: 3290.15, 0.00316634/step Wall: 3290.15, 0.00316634/step, 3.48333 hours remaining, 238.136719 MB of memory in use. ENERGY: 1039600 3947.3854 20656.5585 14485.9546 247.9856 -203133.0758 2328.2248 0.0000 0.0000 52286.6403 -109180.3267 300.4920 -161466.9670 -108812.5393 300.3549 -220.0968 -193.4335 762050.1841 -14.7482 -14.9010 PRESSURE: 1039800 -129.099 -69.568 116.147 -69.5681 268.423 -210.384 116.146 -210.384 28.0563 GPRESSURE: 1039800 -51.8802 -110.346 242.444 9.36758 231.118 -133.277 24.3013 -226.198 64.7119 PRESSAVG: 1039800 13.2192 -14.1222 -25.3676 -14.1222 -38.4845 -39.3167 -25.3677 -39.3167 -24.6409 GPRESSAVG: 1039800 12.9294 -14.6643 -26.5137 -12.9146 -37.438 -38.3902 -24.9435 -38.5977 -25.4598 TIMING: 1039800 CPU: 3290.78, 0.0031794/step Wall: 3290.78, 0.0031794/step, 3.49752 hours remaining, 238.136719 MB of memory in use. ENERGY: 1039800 4011.5043 20637.8994 14476.3244 226.9524 -203631.4966 2653.4407 0.0000 0.0000 52231.9595 -109393.4160 300.1778 -161625.3755 -109045.1609 300.2043 55.7935 81.3167 760773.3767 -16.6354 -16.6561 PRESSURE: 1040000 -120.771 -182.316 32.6051 -182.317 -26.9973 148.842 32.605 148.842 147.64 GPRESSURE: 1040000 -48.0293 -255.533 16.9296 -56.5979 -13.2458 131.947 -82.4984 118.443 147.631 PRESSAVG: 1040000 -1.6672 -62.8502 -16.434 -62.8503 39.311 -31.0844 -16.4341 -31.0844 21.017 GPRESSAVG: 1040000 -1.33228 -62.5588 -16.9043 -61.7461 39.0769 -31.941 -14.3337 -30.5978 20.6262 TIMING: 1040000 CPU: 3291.42, 0.0031575/step Wall: 3291.42, 0.0031575/step, 3.47325 hours remaining, 238.136719 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: 1040000 3967.9533 20537.8591 14454.3880 248.8228 -203831.6744 2763.7741 0.0000 0.0000 52373.4158 -109485.4614 300.9907 -161858.8771 -109122.6931 299.6394 -0.0426 28.7853 760247.0714 19.5536 19.4569 PRESSURE: 1040200 -211.492 -37.5286 -185.507 -37.5286 -41.3047 164.594 -185.506 164.594 25.5174 GPRESSURE: 1040200 -134.159 -60.3488 -158.832 -128.425 -11.1967 146.425 -138.17 200.097 4.4211 PRESSAVG: 1040200 -40.8463 -71.3486 -68.1882 -71.3485 48.7011 -0.997521 -68.1881 -0.997504 11.884 GPRESSAVG: 1040200 -41.311 -69.9716 -68.6237 -71.6318 48.7119 -1.19385 -67.6797 0.142696 11.4637 TIMING: 1040200 CPU: 3292.05, 0.0031782/step Wall: 3292.05, 0.0031782/step, 3.49584 hours remaining, 238.136719 MB of memory in use. ENERGY: 1040200 4030.4346 20549.6968 14508.0580 273.8667 -203499.6759 2548.6912 0.0000 0.0000 52167.7035 -109421.2250 299.8085 -161588.9285 -109055.7118 299.8423 -75.7597 -46.9782 761568.6227 6.5796 6.2882 LDB: ============= START OF LOAD BALANCING ============== 3304.5 LDB: ============== END OF LOAD BALANCING =============== 3304.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3304.51 LDB: ============= START OF LOAD BALANCING ============== 3304.83 LDB: Largest compute 7032 load 0.038335 is 19.7% of average load 0.195089 LDB: Average compute 0.004422 is 2.3% of average load 0.195089 LDB: TIME 3304.83 LOAD: AVG 0.195089 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.219 MB LDB: TIME 3304.83 LOAD: AVG 0.195089 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.219 MB LDB: TIME 3304.83 LOAD: AVG 0.195089 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.219 MB LDB: ============== END OF LOAD BALANCING =============== 3304.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3304.84 PRESSURE: 1040400 -13.7443 -118.986 179.549 -118.986 -71.9253 20.1391 179.549 20.1403 -196.483 GPRESSURE: 1040400 -99.5122 -188.257 161.889 -56.5411 31.6612 51.4321 129.01 -28.1505 -143.366 PRESSAVG: 1040400 46.4254 -26.4012 -9.44771 -26.4012 -31.2116 0.950697 -9.44775 0.950651 -5.59359 GPRESSAVG: 1040400 45.1744 -26.3466 -7.56539 -26.4123 -31.3541 1.60957 -11.957 0.141889 -4.9072 TIMING: 1040400 CPU: 3292.7, 0.00325417/step Wall: 3292.7, 0.00325417/step, 3.57922 hours remaining, 236.593750 MB of memory in use. ENERGY: 1040400 3983.6043 20510.3799 14390.3781 250.6555 -203395.2589 2580.3972 0.0000 0.0000 52013.3816 -109666.4623 298.9216 -161679.8439 -109302.8854 299.1189 -94.0508 -70.4057 761451.0445 3.2067 2.9711 PRESSURE: 1040600 -385.923 135.301 -0.981671 135.301 78.3936 406.355 -0.981514 406.356 249.018 GPRESSURE: 1040600 -296.907 160.436 -26.1604 -17.7802 143.66 286.135 10.67 330.523 173.335 PRESSAVG: 1040600 -7.24557 -67.4124 -3.32336 -67.4124 1.06028 -22.2091 -3.32345 -22.209 -0.963671 GPRESSAVG: 1040600 -6.575 -69.9037 -5.32392 -67.3383 1.69362 -22.5194 -2.66553 -23.6977 -2.45559 TIMING: 1040600 CPU: 3293.34, 0.00317695/step Wall: 3293.34, 0.00317695/step, 3.49411 hours remaining, 236.593750 MB of memory in use. ENERGY: 1040600 3994.8719 20520.3310 14403.6465 246.1095 -203460.7556 2735.8003 0.0000 0.0000 52095.1541 -109464.8424 299.3916 -161559.9965 -109102.2629 299.2386 -19.5038 6.6960 762002.6082 -2.3830 -2.4457 PRESSURE: 1040800 -8.23027 -190.952 -116.396 -190.952 -54.491 89.5122 -116.396 89.5121 295.57 GPRESSURE: 1040800 -30.3143 -121.55 -102.076 -225.322 41.4831 -3.34629 -133.063 67.6133 303.121 PRESSAVG: 1040800 -4.69466 -91.5742 -12.2723 -91.5743 7.19616 29.1787 -12.2723 29.1788 14.4922 GPRESSAVG: 1040800 -5.51244 -89.492 -11.6273 -91.9614 7.45163 28.1042 -12.0579 30.8512 15.272 TIMING: 1040800 CPU: 3293.97, 0.00317822/step Wall: 3293.97, 0.00317822/step, 3.49533 hours remaining, 236.679688 MB of memory in use. ENERGY: 1040800 3956.6517 20599.2925 14401.9502 256.4300 -203577.7322 2692.4606 0.0000 0.0000 52214.3237 -109456.6235 300.0764 -161670.9473 -109090.3341 299.0593 77.6164 104.7631 760977.2927 5.6646 5.7371 PRESSURE: 1041000 -53.0659 -51.3793 121.262 -51.3784 -104.145 -64.9139 121.262 -64.9137 -287.828 GPRESSURE: 1041000 -42.9128 38.2786 172.393 51.5 -24.098 -10.5607 49.8244 -208.353 -290.511 PRESSAVG: 1041000 4.49702 -42.1995 11.3673 -42.1995 20.8534 -20.4065 11.3673 -20.4065 -1.47995 GPRESSAVG: 1041000 4.68693 -41.2762 11.2057 -41.5537 21.378 -20.2365 12.6605 -22.0381 -2.29141 TIMING: 1041000 CPU: 3294.61, 0.00319983/step Wall: 3294.61, 0.00319983/step, 3.51892 hours remaining, 236.679688 MB of memory in use. ENERGY: 1041000 3975.9488 20468.0551 14432.7080 246.7085 -203488.9976 2701.2431 0.0000 0.0000 52171.9156 -109492.4185 299.8327 -161664.3341 -109123.3578 299.2144 -148.3461 -119.1740 762373.8976 7.9568 7.9245 PRESSURE: 1041200 196.054 85.5241 57.2557 85.5247 170.318 132.599 57.2552 132.6 474.31 GPRESSURE: 1041200 235.452 -0.484667 72.4317 40.6265 240.03 127.023 67.6343 69.3335 443.298 PRESSAVG: 1041200 -61.4767 7.56037 -14.3452 7.56036 -4.95534 33.826 -14.3453 33.826 -4.44505 GPRESSAVG: 1041200 -62.0287 6.94501 -15.3157 6.04369 -5.40966 36.0851 -16.0932 33.9039 -3.97131 TIMING: 1041200 CPU: 3295.25, 0.00318434/step Wall: 3295.25, 0.00318434/step, 3.50171 hours remaining, 236.679688 MB of memory in use. ENERGY: 1041200 3935.6369 20549.9916 14395.7462 229.1090 -203589.8290 2970.4779 0.0000 0.0000 52055.4059 -109453.4615 299.1631 -161508.8674 -109097.9188 299.6741 280.2272 306.2598 761252.6806 -23.6257 -23.8032 PRESSURE: 1041400 65.9256 90.0396 -166.53 90.0393 219.06 -81.8628 -166.53 -81.8633 113.302 GPRESSURE: 1041400 116.918 82.7401 -118.923 141.761 140.079 -49.7209 -126.97 -78.7011 203.548 PRESSAVG: 1041400 -0.974135 26.8304 -51.1343 26.8304 -13.3298 5.5253 -51.1343 5.52534 -11.6105 GPRESSAVG: 1041400 -0.648494 25.1307 -50.2429 27.1203 -15.3743 4.39945 -49.4198 5.42424 -10.4317 TIMING: 1041400 CPU: 3295.89, 0.00317816/step Wall: 3295.89, 0.00317816/step, 3.49474 hours remaining, 236.679688 MB of memory in use. ENERGY: 1041400 4006.0029 20643.5458 14428.5615 237.3790 -203571.5663 2822.1559 0.0000 0.0000 51875.7759 -109558.1454 298.1308 -161433.9213 -109203.8259 299.2437 132.7624 153.5151 762222.8981 -8.6381 -8.8182 PRESSURE: 1041600 39.9019 -88.2126 161.924 -88.2124 -139.714 102.074 161.925 102.075 -24.4583 GPRESSURE: 1041600 101.482 -161.559 178.12 -98.1485 -118.783 51.6615 96.3575 85.3047 -22.8399 PRESSAVG: 1041600 -5.30925 3.79872 -11.7621 3.79871 6.20364 12.3584 -11.7622 12.3584 5.8954 GPRESSAVG: 1041600 -4.59985 4.96166 -11.8342 5.84094 5.52649 12.0115 -13.0142 12.6689 5.63193 TIMING: 1041600 CPU: 3296.53, 0.00320955/step Wall: 3296.53, 0.00320955/step, 3.52908 hours remaining, 236.679688 MB of memory in use. ENERGY: 1041600 3955.8029 20501.9588 14424.2558 232.5801 -203641.5343 2949.6238 0.0000 0.0000 51957.8965 -109619.4164 298.6027 -161577.3129 -109251.7268 298.8774 -41.4235 -13.3805 763662.7030 2.2633 2.1862 PRESSURE: 1041800 -72.452 -111.649 130.868 -111.649 108.418 32.0781 130.868 32.0786 -258.268 GPRESSURE: 1041800 20.7772 -31.7832 119.39 -163.988 100 -28.9533 32.8249 128.341 -262.078 PRESSAVG: 1041800 55.742 -14.0169 16.1596 -14.0169 -35.3932 -21.9698 16.1597 -21.9697 -24.5324 GPRESSAVG: 1041800 55.1245 -15.5912 16.9738 -13.7346 -33.3973 -23.3336 14.8519 -21.8945 -25.4398 TIMING: 1041800 CPU: 3297.16, 0.00316995/step Wall: 3297.16, 0.00316995/step, 3.48536 hours remaining, 236.679688 MB of memory in use. ENERGY: 1041800 3978.0113 20474.9232 14391.0085 244.7761 -203402.2387 2817.4626 0.0000 0.0000 51880.8779 -109615.1792 298.1601 -161496.0571 -109261.2322 299.1057 -74.1006 -47.1000 762011.5284 -1.3945 -1.2375 PRESSURE: 1042000 -46.5538 -113.865 76.3458 -113.866 -212.408 1.21715 76.3449 1.21687 -147.761 GPRESSURE: 1042000 -77.6201 -102.342 107.58 -116.651 -131.169 138.732 194.977 -128.94 -111.916 PRESSAVG: 1042000 39.7933 -32.8759 -12.0282 -32.876 -23.4809 -10.0489 -12.0282 -10.049 -2.38825 GPRESSAVG: 1042000 38.9815 -32.6814 -12.4324 -33.7418 -23.5719 -11.1099 -8.95662 -8.95027 -1.51914 TIMING: 1042000 CPU: 3297.8, 0.00320784/step Wall: 3297.8, 0.00320784/step, 3.52684 hours remaining, 236.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 3962.2707 20464.7040 14387.6320 251.6233 -202811.1569 2188.0072 0.0000 0.0000 52062.7471 -109494.1726 299.2053 -161556.9196 -109143.7953 299.1990 -135.5741 -106.9018 764693.4628 4.6414 4.6301 PRESSURE: 1042200 -173.87 43.6999 -117.294 43.6995 -10.6794 -134.414 -117.294 -134.416 -9.2881 GPRESSURE: 1042200 -123.661 116.506 -137.466 38.044 66.727 -71.4685 -57.6514 -142.41 -59.3495 PRESSAVG: 1042200 -4.37214 -35.9629 -17.3471 -35.963 27.3336 -7.4364 -17.3471 -7.43639 22.5788 GPRESSAVG: 1042200 -3.71116 -34.4152 -16.8497 -36.8386 28.375 -4.4593 -19.1484 -9.75567 20.8608 TIMING: 1042200 CPU: 3298.44, 0.00320048/step Wall: 3298.44, 0.00320048/step, 3.51857 hours remaining, 236.679688 MB of memory in use. ENERGY: 1042200 4022.8280 20586.2349 14452.1172 250.0708 -203532.9991 2619.6815 0.0000 0.0000 51985.7536 -109616.3131 298.7628 -161602.0667 -109261.2466 298.9009 -64.6125 -38.7613 760984.0758 15.1801 15.1749 PRESSURE: 1042400 -74.3289 26.5835 -188.847 26.5838 -345.767 -34.5782 -188.848 -34.5782 173.288 GPRESSURE: 1042400 50.5359 -56.5934 -230.384 79.5163 -412.605 -105.812 -148.198 -115.657 164.932 PRESSAVG: 1042400 11.1203 1.76175 -14.3564 1.76173 -2.19923 -25.1685 -14.3564 -25.1684 -11.3553 GPRESSAVG: 1042400 12.0324 2.01408 -14.3909 1.94385 -4.06787 -27.6453 -13.4914 -22.9795 -10.4445 TIMING: 1042400 CPU: 3299.08, 0.00316016/step Wall: 3299.08, 0.00316016/step, 3.47406 hours remaining, 236.679688 MB of memory in use. ENERGY: 1042400 4023.0482 20401.8903 14483.8604 235.7363 -203268.8528 2470.7126 0.0000 0.0000 52088.6823 -109564.9226 299.3544 -161653.6049 -109205.5778 298.8760 -82.2693 -65.7121 761598.9111 -0.8114 -0.8267 PRESSURE: 1042600 229.511 -42.284 139.6 -42.2831 75.959 306.884 139.6 306.884 154.602 GPRESSURE: 1042600 323.628 60.1321 173.596 -64.8644 126.92 345.18 -4.44402 132.362 92.1809 PRESSAVG: 1042600 -7.6066 -11.5143 29.2078 -11.5143 11.3765 19.0511 29.2078 19.0511 -12.7949 GPRESSAVG: 1042600 -9.40659 -10.2946 27.96 -14.3905 12.2245 20.7932 29.4381 18.244 -11.5295 TIMING: 1042600 CPU: 3299.71, 0.00316826/step Wall: 3299.71, 0.00316826/step, 3.48279 hours remaining, 236.679688 MB of memory in use. ENERGY: 1042600 3954.0021 20348.3565 14403.2627 238.0472 -203016.9829 2327.0268 0.0000 0.0000 52343.9092 -109402.3784 300.8212 -161746.2876 -109038.0358 299.0793 153.3574 180.9096 761797.8228 -3.0083 -2.9039 PRESSURE: 1042800 8.61565 -195.184 112.593 -195.183 -182.819 22.9055 112.594 22.9059 203.693 GPRESSURE: 1042800 82.2586 -222.21 124.726 -198.996 -91.5542 -48.4222 15.2488 136.796 115.107 PRESSAVG: 1042800 3.10649 -9.86286 7.85392 -9.86289 -1.20982 46.9913 7.85386 46.9913 -4.21851 GPRESSAVG: 1042800 3.65079 -10.4209 8.14405 -7.37431 -1.20713 45.887 6.59702 46.8098 -4.60281 TIMING: 1042800 CPU: 3300.34, 0.00317732/step Wall: 3300.34, 0.00317732/step, 3.49258 hours remaining, 236.679688 MB of memory in use. ENERGY: 1042800 3986.9315 20503.4234 14454.8885 251.9980 -203665.1020 3058.8953 0.0000 0.0000 52229.5918 -109179.3735 300.1642 -161408.9653 -108811.4336 299.5162 9.8298 35.2704 762417.2008 -0.7739 -0.7197 PRESSURE: 1043000 30.9024 127.698 38.4284 127.697 402.707 -216.332 38.4285 -216.333 -91.9322 GPRESSURE: 1043000 96.2852 75.7851 -23.4342 92.2327 386.697 -209.94 -30.8475 -103.243 -69.4301 PRESSAVG: 1043000 4.72429 -0.438103 -19.8532 -0.438151 5.36696 -9.51157 -19.8532 -9.51156 4.03159 GPRESSAVG: 1043000 4.53838 -2.39925 -19.5534 -0.483335 3.81934 -9.4435 -16.6441 -8.79802 5.53306 TIMING: 1043000 CPU: 3300.98, 0.00318074/step Wall: 3300.98, 0.00318074/step, 3.49616 hours remaining, 236.679688 MB of memory in use. ENERGY: 1043000 3933.5101 20667.7139 14414.0358 233.6798 -203350.9542 2636.4177 0.0000 0.0000 52187.8930 -109277.7038 299.9245 -161465.5969 -108917.2340 299.4196 113.8923 137.8505 761282.6852 4.7076 4.6303 PRESSURE: 1043200 -141.4 58.7537 -46.8051 58.7539 -212.558 -118.98 -46.8045 -118.98 -206.64 GPRESSURE: 1043200 -156.818 134.986 -2.37958 63.511 -152.704 -152.573 -127.399 75.4159 -173.292 PRESSAVG: 1043200 -23.928 36.7853 -5.22285 36.7853 -7.54038 1.33627 -5.2229 1.33625 -9.21283 GPRESSAVG: 1043200 -23.3676 38.8796 -5.98669 36.0302 -6.85281 2.76606 -7.7049 -0.0395018 -10.1256 TIMING: 1043200 CPU: 3301.62, 0.0031786/step Wall: 3301.62, 0.0031786/step, 3.49364 hours remaining, 236.679688 MB of memory in use. ENERGY: 1043200 4053.4579 20477.7976 14473.3877 228.3636 -202860.7361 2499.6541 0.0000 0.0000 51934.9997 -109193.0754 298.4712 -161128.0751 -108826.2274 298.9745 -186.8661 -160.9383 761381.5244 -13.5604 -13.4487 PRESSURE: 1043400 -316.235 -49.6001 27.333 -49.6005 -14.3296 -16.2592 27.3341 -16.2593 -237.111 GPRESSURE: 1043400 -224.583 9.66884 25.009 119.973 24.7189 -12.4833 165.209 -88.8965 -260.361 PRESSAVG: 1043400 61.14 -27.0856 -51.7745 -27.0856 -11.1132 -14.2879 -51.7745 -14.2879 23.5353 GPRESSAVG: 1043400 62.2507 -30.0379 -50.69 -25.6201 -11 -13.4009 -51.6751 -13.3184 22.6497 TIMING: 1043400 CPU: 3302.25, 0.00317351/step Wall: 3302.25, 0.00317351/step, 3.48787 hours remaining, 236.679688 MB of memory in use. ENERGY: 1043400 4067.5456 20568.5518 14424.5266 250.3988 -202730.0060 2305.2945 0.0000 0.0000 51732.8763 -109380.8124 297.3096 -161113.6887 -109024.0522 298.9991 -189.2253 -153.4081 761333.3767 24.5207 24.6335 PRESSURE: 1043600 -20.6395 77.9911 51.0791 77.9908 -213.072 137.845 51.0792 137.844 265.991 GPRESSURE: 1043600 27.8183 50.6312 -24.5595 2.839 -88.7436 170.686 34.1914 74.8269 183.226 PRESSAVG: 1043600 22.5821 -8.71994 31.2705 -8.71996 38.4276 -50.8407 31.2705 -50.8407 -0.201412 GPRESSAVG: 1043600 21.7735 -4.98486 30.2094 -11.8796 38.267 -52.6764 32.2358 -50.9829 0.768638 TIMING: 1043600 CPU: 3302.89, 0.00317829/step Wall: 3302.89, 0.00317829/step, 3.49294 hours remaining, 236.679688 MB of memory in use. ENERGY: 1043600 3967.8848 20410.9429 14492.5061 222.7656 -203350.1297 2772.6464 0.0000 0.0000 52111.6678 -109371.7161 299.4865 -161483.3839 -109004.2564 299.1509 10.7599 40.7670 761823.6125 20.2695 20.2697 PRESSURE: 1043800 -289.596 26.2177 4.14315 26.2178 -198.6 17.5597 4.14278 17.5593 -154.106 GPRESSURE: 1043800 -257.341 22.4157 -37.4077 72.6639 -213.307 16.0305 -13.8654 34.3553 -100.748 PRESSAVG: 1043800 -32.0075 15.6134 -2.52921 15.6134 50.186 -10.6462 -2.52921 -10.6463 29.2562 GPRESSAVG: 1043800 -31.6004 14.6648 -2.21668 15.9806 49.4908 -9.63466 -4.02964 -9.60682 29.2165 TIMING: 1043800 CPU: 3303.53, 0.00320472/step Wall: 3303.53, 0.00320472/step, 3.52181 hours remaining, 236.679688 MB of memory in use. ENERGY: 1043800 4001.0527 20542.1209 14479.6823 257.1897 -203346.6846 2581.2258 0.0000 0.0000 52009.4756 -109475.9377 298.8992 -161485.4133 -109113.6245 299.4769 -214.1004 -190.4654 761381.1092 15.8116 15.7023 PRESSURE: 1044000 -125.914 10.7045 -0.811917 10.7037 164.795 -67.2299 -0.812835 -67.229 -117.52 GPRESSURE: 1044000 -61.3675 87.1476 124.387 -2.91201 176.227 51.6576 -65.5972 -55.7707 -91.2804 PRESSAVG: 1044000 -30.5221 -71.5472 5.26522 -71.5472 26.5532 -43.5821 5.26513 -43.5821 -30.6818 GPRESSAVG: 1044000 -30.8603 -71.1924 6.10687 -70.0313 27.1345 -44.4701 5.24925 -43.6694 -30.7651 TIMING: 1044000 CPU: 3304.16, 0.0031651/step Wall: 3304.16, 0.0031651/step, 3.47809 hours remaining, 236.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 3940.7346 20529.2900 14550.9586 243.4368 -203275.2842 2510.5210 0.0000 0.0000 52084.1803 -109416.1628 299.3285 -161500.3432 -109053.8288 299.5934 -26.2132 7.8597 762636.9242 -11.5502 -11.4970 PRESSURE: 1044200 -137.583 87.4527 -175.998 87.4523 -314.384 -19.35 -175.999 -19.3492 -218.643 GPRESSURE: 1044200 -174.315 97.4506 -137.58 159.665 -215.726 -47.2017 -134.603 -79.3726 -208.471 PRESSAVG: 1044200 8.78192 -10.6086 -21.7355 -10.6086 -6.36528 2.24485 -21.7356 2.24479 1.15874 GPRESSAVG: 1044200 9.0988 -11.104 -21.8756 -12.1027 -7.65825 2.04146 -23.2551 4.06696 1.50481 TIMING: 1044200 CPU: 3304.79, 0.00317013/step Wall: 3304.79, 0.00317013/step, 3.48345 hours remaining, 236.679688 MB of memory in use. ENERGY: 1044200 3996.6917 20383.3421 14524.9149 244.9118 -203260.7680 2522.8419 0.0000 0.0000 52128.4040 -109459.6615 299.5827 -161588.0655 -109086.2692 298.7990 -223.5366 -199.5040 764129.8554 1.1918 0.9818 LDB: ============= START OF LOAD BALANCING ============== 3317.25 LDB: ============== END OF LOAD BALANCING =============== 3317.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3317.25 LDB: ============= START OF LOAD BALANCING ============== 3317.57 LDB: Largest compute 7033 load 0.035703 is 18.3% of average load 0.195090 LDB: Average compute 0.004407 is 2.3% of average load 0.195090 LDB: TIME 3317.57 LOAD: AVG 0.19509 MAX 0.21551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.758 MB LDB: TIME 3317.57 LOAD: AVG 0.19509 MAX 0.21551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: TIME 3317.57 LOAD: AVG 0.19509 MAX 0.21551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.898 MB LDB: ============== END OF LOAD BALANCING =============== 3317.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3317.58 PRESSURE: 1044400 -39.0734 163.447 -59.9541 163.447 211.265 60.4042 -59.9539 60.403 154.274 GPRESSURE: 1044400 140.43 72.2496 -113.452 100.849 162.092 16.3396 35.4465 -91.8176 117.798 PRESSAVG: 1044400 16.1273 40.545 -32.2883 40.545 17.12 -35.7167 -32.2883 -35.7167 6.50696 GPRESSAVG: 1044400 14.9656 40.4177 -32.4127 40.9697 19.5738 -35.6558 -30.2761 -39.2526 4.9134 TIMING: 1044400 CPU: 3305.44, 0.00324909/step Wall: 3305.44, 0.00324909/step, 3.57003 hours remaining, 237.042969 MB of memory in use. ENERGY: 1044400 3958.9109 20594.2697 14502.1968 238.1488 -203683.2292 2922.6809 0.0000 0.0000 52078.3614 -109388.6607 299.2951 -161467.0221 -109030.3828 298.7778 108.8220 140.1067 761937.0779 13.2514 13.1510 PRESSURE: 1044600 -153.088 102.027 -326.368 102.028 -183.279 19.6846 -326.368 19.6838 -76.8166 GPRESSURE: 1044600 -70.8398 187.734 -296.518 45.317 -176.048 74.3001 -118.688 -41.3365 -77.5851 PRESSAVG: 1044600 -66.002 24.3119 -32.4573 24.3119 58.4532 -19.7487 -32.4574 -19.7489 2.96437 GPRESSAVG: 1044600 -67.2076 25.4511 -34.0313 22.0119 57.5732 -18.3322 -32.6308 -17.7565 4.77802 TIMING: 1044600 CPU: 3306.08, 0.00317537/step Wall: 3306.08, 0.00317537/step, 3.48885 hours remaining, 237.042969 MB of memory in use. ENERGY: 1044600 3918.0206 20592.4215 14416.6037 221.3141 -203142.2491 2634.9258 0.0000 0.0000 51860.0854 -109498.8780 298.0406 -161358.9634 -109136.7581 299.2418 -137.7279 -108.1577 763104.1545 -1.5281 -1.6188 PRESSURE: 1044800 -534.513 -113.78 -72.3415 -113.78 -367.288 -2.57252 -72.342 -2.57259 22.7232 GPRESSURE: 1044800 -459.804 -117.973 -154.027 -118.183 -328.874 38.8322 -29.5667 -23.9293 4.69929 PRESSAVG: 1044800 -4.85546 0.796029 -17.8084 0.796029 -53.5068 -22.1055 -17.8084 -22.1055 38.8889 GPRESSAVG: 1044800 -3.99471 1.04182 -17.3641 3.43517 -53.0889 -22.6535 -14.8125 -23.6596 37.8414 TIMING: 1044800 CPU: 3306.71, 0.00315432/step Wall: 3306.71, 0.00315432/step, 3.46555 hours remaining, 237.042969 MB of memory in use. ENERGY: 1044800 4027.9304 20705.4782 14443.0455 254.4477 -203306.9769 2502.8191 0.0000 0.0000 52027.9606 -109345.2953 299.0054 -161373.2559 -108978.6994 298.8750 -293.0260 -261.3260 762444.0851 -6.4911 -6.4141 PRESSURE: 1045000 -42.5954 29.6991 -3.63419 29.6997 -84.4865 -113.223 -3.6336 -113.223 -134.08 GPRESSURE: 1045000 -52.6405 -3.07566 -56.8411 -40.2967 -60.2416 -106.319 -57.4579 -165.084 -72.4528 PRESSAVG: 1045000 20.3342 -17.8935 -61.0776 -17.8935 -9.98518 -22.1128 -61.0775 -22.1128 -1.59302 GPRESSAVG: 1045000 20.5177 -19.4955 -61.4348 -17.6196 -9.87964 -21.9246 -62.0387 -21.4171 -2.31884 TIMING: 1045000 CPU: 3307.34, 0.00316521/step Wall: 3307.34, 0.00316521/step, 3.47733 hours remaining, 237.042969 MB of memory in use. ENERGY: 1045000 4062.4145 20525.4332 14435.8221 252.0709 -203371.0167 2857.7433 0.0000 0.0000 52030.8842 -109206.6486 299.0222 -161237.5328 -108849.5841 299.2816 -87.0540 -61.7783 763930.8210 2.9187 2.7731 PRESSURE: 1045200 -160.427 216.431 256.27 216.43 -17.8419 -61.2036 256.27 -61.2034 -215.328 GPRESSURE: 1045200 -163.283 201.317 297.96 175.628 44.1856 -61.2247 288.146 55.6794 -193.382 PRESSAVG: 1045200 16.6586 -13.1331 -7.3624 -13.1331 -25.9474 -44.9837 -7.36234 -44.9838 -15.2858 GPRESSAVG: 1045200 15.5465 -12.5835 -6.49395 -13.8593 -25.9684 -45.4011 -9.40724 -43.9988 -13.8831 TIMING: 1045200 CPU: 3307.97, 0.00315371/step Wall: 3307.97, 0.00315371/step, 3.46453 hours remaining, 237.042969 MB of memory in use. ENERGY: 1045200 4056.7678 20610.1843 14471.0414 243.3877 -203477.3500 2657.6839 0.0000 0.0000 52026.7544 -109411.5305 298.9985 -161438.2849 -109059.0795 299.4646 -131.1993 -104.1598 763550.3432 -8.1915 -8.1016 PRESSURE: 1045400 82.8331 -44.7661 -102.604 -44.7659 -305.91 -32.8046 -102.604 -32.8043 72.0163 GPRESSURE: 1045400 176.869 32.1362 1.73674 18.8942 -236.953 -39.912 -151.798 -141.317 6.4484 PRESSAVG: 1045400 20.9572 -13.183 -27.1869 -13.183 -63.2265 -15.2502 -27.1869 -15.2502 39.1864 GPRESSAVG: 1045400 21.6537 -14.1529 -26.9931 -11.7179 -61.8936 -15.6722 -29.592 -14.6187 37.4179 TIMING: 1045400 CPU: 3308.61, 0.00318457/step Wall: 3308.61, 0.00318457/step, 3.49825 hours remaining, 237.042969 MB of memory in use. ENERGY: 1045400 3961.4314 20561.6695 14480.5107 259.4959 -203431.3610 2671.9355 0.0000 0.0000 52040.5227 -109455.7952 299.0776 -161496.3180 -109091.4542 299.1445 -50.3534 -17.8785 763334.7037 -1.0276 -0.9407 PRESSURE: 1045600 -113.243 -92.2986 47.613 -92.2974 77.47 -210.825 47.6129 -210.825 -184.485 GPRESSURE: 1045600 -125.227 -143.832 129.016 -106.981 3.57229 -189.411 20.4473 -225.552 -55.5508 PRESSAVG: 1045600 -14.1681 -20.027 36.5701 -20.0271 11.6109 24.3813 36.5702 24.3812 24.0524 GPRESSAVG: 1045600 -13.5662 -20.8994 36.9094 -21.7303 10.8723 26.1879 38.1207 23.651 24.4034 TIMING: 1045600 CPU: 3309.25, 0.00317678/step Wall: 3309.25, 0.00317678/step, 3.48951 hours remaining, 237.042969 MB of memory in use. ENERGY: 1045600 3997.4497 20722.4452 14490.1176 248.6134 -203908.1499 2769.8936 0.0000 0.0000 51987.7383 -109691.8921 298.7742 -161679.6304 -109339.4410 298.5745 -73.4194 -59.0686 762347.3186 7.1650 7.2365 PRESSURE: 1045800 93.1709 23.1096 142.73 23.1105 -36.8947 49.4554 142.73 49.4561 50.4587 GPRESSURE: 1045800 64.3827 103.62 153.528 -14.5298 137.439 64.0934 143.768 30.5892 7.49553 PRESSAVG: 1045800 -1.12417 -18.097 36.5467 -18.0971 -10.8955 14.4346 36.5467 14.4347 10.4615 GPRESSAVG: 1045800 -2.09233 -17.3317 34.7889 -16.561 -9.85865 14.2469 37.217 13.6681 10.6495 TIMING: 1045800 CPU: 3309.89, 0.00320054/step Wall: 3309.89, 0.00320054/step, 3.51543 hours remaining, 237.042969 MB of memory in use. ENERGY: 1045800 3995.3242 20511.8835 14458.5211 251.0138 -203976.4542 3046.5322 0.0000 0.0000 52125.8681 -109587.3113 299.5681 -161713.1793 -109225.7281 298.7530 35.5783 69.7723 762091.8701 -0.5194 -0.4338 PRESSURE: 1046000 -39.8472 50.3091 95.5354 50.3092 -56.8346 -140.066 95.5364 -140.065 -80.7223 GPRESSURE: 1046000 94.1002 124.73 124.691 41.0369 -78.7325 -99.9186 37.3511 -231.824 -103.992 PRESSAVG: 1046000 22.0881 15.8721 -16.6496 15.8721 -31.1367 -30.729 -16.6496 -30.7291 21.6182 GPRESSAVG: 1046000 22.079 15.0442 -13.4134 16.3566 -30.7944 -31.1155 -15.8171 -29.367 20.6585 TIMING: 1046000 CPU: 3310.52, 0.00318953/step Wall: 3310.52, 0.00318953/step, 3.50317 hours remaining, 237.042969 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: 1046000 4009.1892 20583.8339 14493.5522 264.0800 -203627.8805 2827.3176 0.0000 0.0000 51995.2670 -109454.6405 298.8175 -161449.9075 -109086.6914 299.1469 -59.1347 -29.5413 762770.9766 4.1898 3.9810 PRESSURE: 1046200 9.55955 -154.625 100.107 -154.625 -331.026 155.387 100.107 155.387 -2.60519 GPRESSURE: 1046200 15.0049 -68.6507 98.7128 -52.3726 -347.378 155.926 54.55 103.421 96.8967 PRESSAVG: 1046200 -34.29 -17.7804 26.513 -17.7804 29.6737 -13.2871 26.5129 -13.2871 13.003 GPRESSAVG: 1046200 -33.6428 -16.0286 25.4962 -17.6836 27.2804 -13.5033 26.9698 -15.3235 14.6216 TIMING: 1046200 CPU: 3311.16, 0.0031903/step Wall: 3311.16, 0.0031903/step, 3.50384 hours remaining, 237.042969 MB of memory in use. ENERGY: 1046200 3997.3907 20531.0649 14491.9754 248.5140 -203143.7865 2508.2341 0.0000 0.0000 51984.3805 -109382.2268 298.7549 -161366.6074 -109029.2779 299.4075 -108.0240 -78.4920 761114.8183 2.7955 2.7531 PRESSURE: 1046400 72.0771 51.4058 64.358 51.4056 -300.61 4.91062 64.3579 4.91068 -19.5387 GPRESSURE: 1046400 95.5284 168.709 67.1905 -76.3271 -284.903 7.75026 44.1129 171.288 10.3132 PRESSAVG: 1046400 -54.7701 -49.088 0.22506 -49.0881 8.83737 -34.0396 0.225063 -34.0396 2.3471 GPRESSAVG: 1046400 -54.1 -52.4789 -0.99163 -48.264 8.2053 -32.5392 -1.14317 -32.5219 2.47334 TIMING: 1046400 CPU: 3311.8, 0.0032073/step Wall: 3311.8, 0.0032073/step, 3.52233 hours remaining, 237.042969 MB of memory in use. ENERGY: 1046400 4015.2785 20502.5107 14460.8218 241.5774 -203545.0955 2761.8885 0.0000 0.0000 51997.2369 -109565.7816 298.8288 -161563.0186 -109209.3220 298.6369 -82.6904 -59.6871 761979.5097 -14.5285 -14.4738 PRESSURE: 1046600 -12.367 -4.85729 3.61605 -4.85705 -77.6806 -138.109 3.61656 -138.11 -125.649 GPRESSURE: 1046600 10.5651 38.614 -137.369 31.9832 -54.242 -61.1263 67.4238 -63.9371 -99.7769 PRESSAVG: 1046600 47.4787 -49.8298 7.86061 -49.8298 -24.4277 -36.2872 7.86067 -36.2872 -10.8957 GPRESSAVG: 1046600 46.8455 -49.0862 8.61734 -49.9881 -23.3292 -37.6982 9.78731 -35.032 -10.9121 TIMING: 1046600 CPU: 3312.44, 0.00320381/step Wall: 3312.44, 0.00320381/step, 3.51831 hours remaining, 237.042969 MB of memory in use. ENERGY: 1046600 3996.7220 20569.3244 14448.7376 255.7420 -203446.0976 2783.8873 0.0000 0.0000 51833.3552 -109558.3291 297.8870 -161391.6843 -109200.5442 298.3946 -71.8988 -47.8179 762746.3036 4.0518 4.2014 PRESSURE: 1046800 -353.659 -48.6655 57.3358 -48.6658 -206.541 12.3952 57.3367 12.3948 127.199 GPRESSURE: 1046800 -220.363 16.7455 159.934 -17.3613 -204.876 0.348532 73.3938 22.4057 76.6217 PRESSAVG: 1046800 -11.76 -5.80816 -2.32351 -5.80821 37.3868 -65.6031 -2.32354 -65.6031 7.12555 GPRESSAVG: 1046800 -10.7375 -4.99393 -2.63507 -6.15148 36.2897 -65.4539 -3.38084 -65.4697 6.29665 TIMING: 1046800 CPU: 3313.09, 0.00320268/step Wall: 3313.09, 0.00320268/step, 3.5169 hours remaining, 237.042969 MB of memory in use. ENERGY: 1046800 3926.6761 20480.8993 14380.9685 252.8228 -203407.4270 2942.9699 0.0000 0.0000 52100.4949 -109322.5955 299.4223 -161423.0905 -108950.3798 299.0310 -144.3338 -116.2057 764258.4302 10.9175 10.6163 PRESSURE: 1047000 199.214 -4.11831 27.3396 -4.11818 -189.046 -113.621 27.339 -113.621 -13.9992 GPRESSURE: 1047000 221.892 -64.2515 90.5819 41.2206 -176.7 69.3785 190.544 -215.404 40.9767 PRESSAVG: 1047000 23.5626 -28.9378 -21.2299 -28.9378 -3.56538 -52.6056 -21.2299 -52.6055 6.49571 GPRESSAVG: 1047000 22.6138 -30.6371 -20.3089 -29.7024 -2.80499 -51.1555 -21.3233 -55.5335 6.84529 TIMING: 1047000 CPU: 3313.72, 0.00318679/step Wall: 3313.72, 0.00318679/step, 3.49927 hours remaining, 237.042969 MB of memory in use. ENERGY: 1047000 4009.9899 20447.3760 14438.7027 256.4282 -203451.2031 2908.3392 0.0000 0.0000 52094.2102 -109296.1569 299.3861 -161390.3671 -108933.8567 298.9437 -1.2770 28.7230 762534.6828 8.8310 8.8847 PRESSURE: 1047200 -85.2353 -239.165 147.607 -239.165 -338.274 -6.5415 147.607 -6.54178 201.906 GPRESSURE: 1047200 -64.2978 -234.025 169.352 -247.537 -288.73 -30.4994 -29.0629 -153.031 210.753 PRESSAVG: 1047200 41.9987 -24.4008 13.7011 -24.4008 -32.4942 -26.94 13.7011 -26.94 20.163 GPRESSAVG: 1047200 41.1534 -22.1499 12.8524 -24.5289 -32.4117 -28.9789 14.0618 -25.6371 20.4028 TIMING: 1047200 CPU: 3314.36, 0.00317141/step Wall: 3314.36, 0.00317141/step, 3.48221 hours remaining, 237.042969 MB of memory in use. ENERGY: 1047200 4092.5027 20645.5747 14432.1709 233.0913 -203468.1151 2879.2505 0.0000 0.0000 52131.3121 -109054.2129 299.5994 -161185.5250 -108695.8027 299.9490 -73.8680 -47.4251 762874.7598 9.8891 9.7148 PRESSURE: 1047400 359.227 11.906 -182.514 11.9058 43.3508 -105.581 -182.513 -105.58 -142.294 GPRESSURE: 1047400 334.896 -38.9363 -221.53 99.9358 116.068 -202.944 -160.397 -21.9618 -96.6272 PRESSAVG: 1047400 10.7975 -19.9107 -50.1232 -19.9106 -32.8552 -33.1397 -50.1232 -33.1398 1.74916 GPRESSAVG: 1047400 11.1636 -20.1863 -50.7497 -19.3708 -32.4671 -32.3558 -50.1205 -33.892 0.976912 TIMING: 1047400 CPU: 3315, 0.00320809/step Wall: 3315, 0.00320809/step, 3.52231 hours remaining, 237.042969 MB of memory in use. ENERGY: 1047400 3989.8663 20780.4537 14462.3222 249.3386 -203271.8322 2651.3525 0.0000 0.0000 51898.9725 -109239.5263 298.2641 -161138.4989 -108877.7153 299.5231 86.7615 118.1122 763554.2958 -6.7695 -6.7755 PRESSURE: 1047600 251.769 22.1205 -9.05024 22.1202 84.5005 88.0199 -9.05006 88.0187 -60.9327 GPRESSURE: 1047600 285.538 75.7465 0.0551059 -69.1185 62.7829 153.411 -65.6856 23.3599 -14.6441 PRESSAVG: 1047600 76.6831 -22.5151 19.8946 -22.5151 -23.8961 -33.4953 19.8946 -33.4953 11.4607 GPRESSAVG: 1047600 76.4721 -23.3522 19.9017 -22.3338 -24.2901 -33.368 19.8558 -33.1781 12.0658 TIMING: 1047600 CPU: 3315.64, 0.00320261/step Wall: 3315.64, 0.00320261/step, 3.51611 hours remaining, 237.042969 MB of memory in use. ENERGY: 1047600 4041.8283 20589.1840 14527.4405 260.4412 -203290.8358 2571.6537 0.0000 0.0000 52278.4788 -109021.8093 300.4451 -161300.2881 -108655.5505 300.2065 91.7791 111.2256 762057.8718 21.4159 21.4160 PRESSURE: 1047800 76.1437 -139.314 -3.35243 -139.313 162.328 203.69 -3.35198 203.69 -223.257 GPRESSURE: 1047800 69.6216 -126.919 53.9062 -72.7987 217.112 237.45 -201.144 278.059 -174.512 PRESSAVG: 1047800 6.6384 -32.6493 -20.3392 -32.6493 18.1743 11.8956 -20.3392 11.8956 1.31381 GPRESSAVG: 1047800 7.57759 -32.0905 -19.561 -32.9168 18.3536 12.5106 -22.528 11.3168 0.855122 TIMING: 1047800 CPU: 3316.28, 0.00319588/step Wall: 3316.28, 0.00319588/step, 3.50855 hours remaining, 237.042969 MB of memory in use. ENERGY: 1047800 4054.4554 20808.6605 14443.1350 251.5246 -203233.0334 2552.0207 0.0000 0.0000 51946.0394 -109177.1977 298.5346 -161123.2371 -108826.5536 300.3526 5.0716 37.4072 760446.1233 8.7089 8.9288 PRESSURE: 1048000 226.71 -29.3809 295.961 -29.3803 214.214 -53.0198 295.961 -53.0207 536.451 GPRESSURE: 1048000 275.046 -55.5545 243.861 -42.933 301.532 -10.1089 247.998 10.4399 491.869 PRESSAVG: 1048000 2.03592 -47.5299 23.5086 -47.53 20.7817 -23.7152 23.5086 -23.7152 -8.61135 GPRESSAVG: 1048000 1.54518 -48.0373 24.4328 -48.0864 21.645 -23.8013 24.5488 -22.3125 -8.47161 TIMING: 1048000 CPU: 3316.92, 0.00321201/step Wall: 3316.92, 0.00321201/step, 3.52608 hours remaining, 237.042969 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: 1048000 4009.6070 20652.8945 14407.9223 233.4374 -203585.3028 2925.7219 0.0000 0.0000 52138.1852 -109217.5345 299.6389 -161355.7197 -108855.7925 299.4873 325.7916 356.1490 760773.8192 4.7354 4.9062 PRESSURE: 1048200 -118.629 -140.183 -148.664 -140.183 -33.8745 -111.153 -148.664 -111.153 -329.64 GPRESSURE: 1048200 -44.2421 13.3822 -186.302 -165.491 10.1449 -115.755 -139.847 -29.0461 -368.646 PRESSAVG: 1048200 -24.6608 7.69254 11.6388 7.69262 49.9458 -6.0092 11.6388 -6.00913 -9.2487 GPRESSAVG: 1048200 -24.0752 9.16229 10.3489 7.85736 49.0399 -6.86753 14.08 -6.7009 -9.20897 TIMING: 1048200 CPU: 3317.56, 0.0032222/step Wall: 3317.56, 0.0032222/step, 3.53708 hours remaining, 237.042969 MB of memory in use. ENERGY: 1048200 4021.0968 20822.0883 14452.8637 264.2139 -203636.0585 2683.7052 0.0000 0.0000 52099.6972 -109292.3934 299.4177 -161392.0906 -108923.9897 299.7710 -160.7146 -134.2478 761133.2460 5.3454 5.2519 LDB: ============= START OF LOAD BALANCING ============== 3330.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3330.02 LDB: =============== DONE WITH MIGRATION ================ 3330.02 LDB: ============= START OF LOAD BALANCING ============== 3330.35 LDB: Largest compute 7032 load 0.036936 is 18.9% of average load 0.195052 LDB: Average compute 0.004421 is 2.3% of average load 0.195052 LDB: TIME 3330.35 LOAD: AVG 0.195052 MAX 0.216719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.363 MB LDB: TIME 3330.35 LOAD: AVG 0.195052 MAX 0.216719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: TIME 3330.35 LOAD: AVG 0.195052 MAX 0.216719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: ============== END OF LOAD BALANCING =============== 3330.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3330.36 PRESSURE: 1048400 202.932 0.997543 -165.713 0.997253 327.533 35.4776 -165.714 35.4766 244.486 GPRESSURE: 1048400 230.661 -112.393 -184.621 82.3846 392.582 62.6968 -85.3402 -121.262 256.224 PRESSAVG: 1048400 -32.4132 -45.2025 -7.63695 -45.2025 39.2066 -60.0001 -7.63697 -60.0001 -7.56986 GPRESSAVG: 1048400 -34.0342 -46.9305 -7.10905 -44.1585 40.2965 -61.3633 -8.08872 -58.9918 -6.89722 TIMING: 1048400 CPU: 3318.22, 0.00327715/step Wall: 3318.22, 0.00327715/step, 3.59722 hours remaining, 237.105469 MB of memory in use. ENERGY: 1048400 4003.2328 20470.3448 14458.4771 272.2320 -203185.5040 2637.8883 0.0000 0.0000 52254.9925 -109088.3364 300.3102 -161343.3289 -108714.3395 300.1754 258.3170 293.1559 762776.7081 -0.2588 -0.2116 PRESSURE: 1048600 -33.6688 -47.0573 -76.5046 -47.0567 165.964 75.912 -76.5058 75.9123 -115.5 GPRESSURE: 1048600 62.4367 -12.0752 -15.2356 -71.8128 157.857 167.103 -69.5454 29.6333 -123.136 PRESSAVG: 1048600 22.2217 1.20957 -32.1149 1.20957 58.5416 31.014 -32.1149 31.014 6.77493 GPRESSAVG: 1048600 25.6261 3.50798 -32.4135 0.204004 56.6697 31.5035 -34.2611 30.7805 5.54998 TIMING: 1048600 CPU: 3318.87, 0.00322431/step Wall: 3318.87, 0.00322431/step, 3.53904 hours remaining, 237.308594 MB of memory in use. ENERGY: 1048600 3947.6933 20674.7310 14437.1986 269.0575 -203469.9187 2718.1119 0.0000 0.0000 52198.7192 -109224.4071 299.9868 -161423.1263 -108860.6738 299.8922 5.5984 32.3857 761413.5749 29.1794 29.2819 PRESSURE: 1048800 -129.403 9.73978 -108.751 9.74012 -17.4017 -104.543 -108.751 -104.542 -18.9672 GPRESSURE: 1048800 -87.7371 56.4301 -119.3 89.1041 -38.8635 -162.001 -87.8396 -103.986 28.9602 PRESSAVG: 1048800 5.22154 15.8155 -27.075 15.8155 -23.7947 -40.0935 -27.075 -40.0934 23.0177 GPRESSAVG: 1048800 3.80131 14.5769 -26.1132 17.4326 -24.1661 -38.9355 -26.3234 -39.3699 24.606 TIMING: 1048800 CPU: 3319.51, 0.00323963/step Wall: 3319.51, 0.00323964/step, 3.55568 hours remaining, 237.308594 MB of memory in use. ENERGY: 1048800 4040.0134 20737.3396 14481.7338 235.5457 -203427.8706 2589.4591 0.0000 0.0000 52153.3330 -109190.4459 299.7259 -161343.7789 -108837.2276 299.8246 -55.2571 -32.5468 761682.9862 1.4815 1.4137 PRESSURE: 1049000 284.836 133.732 285.106 133.732 125.267 50.0836 285.106 50.0835 -62.8125 GPRESSURE: 1049000 248.336 138.125 204.114 288.221 160.466 39.5788 204.461 3.60917 10.2984 PRESSAVG: 1049000 -37.2294 -1.12592 -14.4751 -1.12596 26.3284 37.4938 -14.475 37.4937 4.33644 GPRESSAVG: 1049000 -38.7094 -1.58858 -15.9624 -2.98976 27.6787 37.0837 -14.3365 37.179 3.78453 TIMING: 1049000 CPU: 3320.16, 0.00322794/step Wall: 3320.16, 0.00322794/step, 3.54267 hours remaining, 237.308594 MB of memory in use. ENERGY: 1049000 3986.1856 20656.4922 14435.7392 225.9228 -203303.7785 2867.3235 0.0000 0.0000 52143.5693 -108988.5459 299.6698 -161132.1152 -108626.1714 300.3884 115.7634 139.7000 761468.1815 -2.1882 -2.4154 PRESSURE: 1049200 -224.498 331.606 -8.28157 331.607 -0.521497 48.4871 -8.28167 48.4879 -433.834 GPRESSURE: 1049200 -210.419 368.73 -0.366724 264.329 -24.7711 159.309 107.237 -14.8566 -326.399 PRESSAVG: 1049200 -12.76 -17.9694 0.629787 -17.9694 25.171 23.6064 0.629778 23.6063 8.80626 GPRESSAVG: 1049200 -13.8655 -17.4437 1.81604 -17.7065 25.4629 23.9246 0.692255 22.4224 9.71921 TIMING: 1049200 CPU: 3320.81, 0.00324512/step Wall: 3320.81, 0.00324512/step, 3.56134 hours remaining, 237.308594 MB of memory in use. ENERGY: 1049200 4004.9450 20600.8923 14522.6677 255.1354 -202799.7301 2320.4875 0.0000 0.0000 52093.1953 -109002.4068 299.3803 -161095.6021 -108642.5131 299.9304 -219.6180 -187.1967 761938.5353 7.0724 7.1055 PRESSURE: 1049400 -214.717 41.7322 67.211 41.733 -161.58 39.1413 67.2112 39.1413 -293.414 GPRESSURE: 1049400 -212.95 127.029 112.056 47.7187 -39.8873 -64.1124 -86.3959 201.997 -329.736 PRESSAVG: 1049400 24.0385 28.8686 -20.0606 28.8686 -24.7526 4.2901 -20.0607 4.29008 -11.9245 GPRESSAVG: 1049400 25.1854 27.6606 -17.37 27.954 -24.7826 3.38003 -21.1351 6.05936 -13.1204 TIMING: 1049400 CPU: 3321.46, 0.00323698/step Wall: 3321.46, 0.00323698/step, 3.55222 hours remaining, 237.308594 MB of memory in use. ENERGY: 1049400 4055.7748 20594.0997 14493.7237 279.4050 -202973.3434 2376.6602 0.0000 0.0000 52267.6315 -108906.0486 300.3828 -161173.6800 -108546.5572 300.2892 -223.2370 -194.1912 761731.0883 -4.2129 -4.2392 PRESSURE: 1049600 479.819 -259.755 165.688 -259.756 -99.2132 -68.7821 165.688 -68.7814 59.5192 GPRESSURE: 1049600 476.579 -134.532 163.334 -248.266 50.2202 -12.7044 194.507 10.5224 -15.3426 PRESSAVG: 1049600 -33.8681 -19.1223 10.375 -19.1223 21.6606 9.67665 10.375 9.67658 26.1239 GPRESSAVG: 1049600 -33.5736 -18.2457 6.75446 -16.5405 21.6887 10.12 10.3923 8.5093 25.6752 TIMING: 1049600 CPU: 3322.09, 0.00318987/step Wall: 3322.09, 0.00318987/step, 3.50035 hours remaining, 237.308594 MB of memory in use. ENERGY: 1049600 4041.1726 20845.7629 14394.4050 252.2615 -203296.0800 2930.5254 0.0000 0.0000 52165.9850 -108665.9676 299.7986 -160831.9526 -108311.4449 300.6791 146.7083 170.4855 761147.2212 4.6388 4.5968 PRESSURE: 1049800 -147.137 -188.083 -110.74 -188.083 -215.341 120.201 -110.74 120.2 202.884 GPRESSURE: 1049800 -120.194 -141.581 15.8144 -115.133 -140.282 148.422 -103.529 135.863 205.32 PRESSAVG: 1049800 29.6387 -30.8323 -24.0016 -30.8323 9.96926 -35.3514 -24.0016 -35.3513 -17.7706 GPRESSAVG: 1049800 28.9716 -33.0292 -23.8149 -28.3106 10.3021 -36.1059 -21.0811 -36.0986 -17.9168 TIMING: 1049800 CPU: 3322.73, 0.00318106/step Wall: 3322.73, 0.00318105/step, 3.4905 hours remaining, 237.308594 MB of memory in use. ENERGY: 1049800 4010.9671 20577.9016 14459.0638 242.6809 -203046.1767 2574.5046 0.0000 0.0000 52291.4772 -108889.5814 300.5198 -161181.0587 -108521.5892 300.8693 -53.1980 -18.3852 763008.7045 7.2792 7.1189 PRESSURE: 1050000 70.6498 -27.466 -56.2734 -27.4661 -195.932 24.2986 -56.2734 24.2982 -295.092 GPRESSURE: 1050000 11.0686 -36.9749 -2.37409 -37.0794 -73.6175 36.1793 -91.9167 6.81973 -287.021 PRESSAVG: 1050000 -5.06056 -44.3924 33.1825 -44.3924 -14.6705 -13.2008 33.1825 -13.2008 -9.30765 GPRESSAVG: 1050000 -5.5804 -42.3358 34.0628 -46.8016 -13.7878 -13.6141 32.5453 -11.4104 -9.42132 TIMING: 1050000 CPU: 3323.36, 0.0031769/step Wall: 3323.36, 0.0031769/step, 3.48576 hours remaining, 237.308594 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: 1050000 4043.3669 20724.6256 14378.6277 248.3572 -203340.4198 2829.8133 0.0000 0.0000 52045.0244 -109070.6047 299.1035 -161115.6291 -108721.5730 300.4771 -140.1245 -116.5233 764018.9576 -9.6796 -9.5965 PRESSURE: 1050200 53.1868 -77.4504 64.654 -77.45 -16.5486 -84.8963 64.6548 -84.897 -160.132 GPRESSURE: 1050200 72.4562 -83.5471 -32.4872 -107.786 -60.5139 15.1843 70.905 -53.9853 -52.2765 PRESSAVG: 1050200 59.5399 -4.60869 -9.46376 -4.6087 -62.4336 5.13689 -9.46374 5.13689 -21.6248 GPRESSAVG: 1050200 60.055 -3.50774 -10.0624 -5.90034 -63.4797 6.82819 -8.8291 4.8346 -20.5058 TIMING: 1050200 CPU: 3324.01, 0.00321078/step Wall: 3324.01, 0.00321078/step, 3.52277 hours remaining, 237.308594 MB of memory in use. ENERGY: 1050200 3990.0054 20833.3693 14454.4261 265.1209 -203026.6674 2434.8645 0.0000 0.0000 51891.9948 -109156.8863 298.2240 -161048.8811 -108803.2111 299.4157 -41.1646 -13.4448 763119.8013 -8.1728 -7.9768 PRESSURE: 1050400 387.989 -149.805 -155.189 -149.805 352.939 14.1228 -155.189 14.1239 422.769 GPRESSURE: 1050400 412.912 -264.662 -144.153 -32.1929 445.084 -1.82703 -111.718 51.3343 389.536 PRESSAVG: 1050400 80.4502 -13.5994 -57.1934 -13.5993 -12.2939 16.154 -57.1934 16.1541 -0.111892 GPRESSAVG: 1050400 79.1083 -13.5639 -57.0566 -13.0504 -12.2507 14.9618 -59.2156 17.0183 0.403184 TIMING: 1050400 CPU: 3324.65, 0.00321345/step Wall: 3324.65, 0.00321345/step, 3.52551 hours remaining, 237.308594 MB of memory in use. ENERGY: 1050400 3842.4900 20700.0415 14466.4103 256.5735 -203611.3473 2982.9468 0.0000 0.0000 52086.3376 -109276.5475 299.3409 -161362.8851 -108910.5014 299.0869 387.8989 415.8439 761258.3277 22.6815 22.4203 PRESSURE: 1050600 161.104 -292.719 104.428 -292.719 159.058 201.28 104.428 201.28 214.205 GPRESSURE: 1050600 208.119 -226.741 61.3667 -184.944 239.179 122.07 204.472 74.5688 172.507 PRESSAVG: 1050600 -11.3676 -28.45 15.3652 -28.4501 -65.4082 -44.6419 15.3652 -44.6419 -24.6015 GPRESSAVG: 1050600 -10.1143 -28.41 14.8285 -28.4567 -64.5348 -44.2623 16.2611 -44.9314 -25.9672 TIMING: 1050600 CPU: 3325.29, 0.00318079/step Wall: 3325.29, 0.00318079/step, 3.48951 hours remaining, 237.308594 MB of memory in use. ENERGY: 1050600 3924.3767 20599.4965 14489.0621 249.2532 -203545.7906 2944.3756 0.0000 0.0000 52236.4372 -109102.7894 300.2035 -161339.2265 -108743.8605 299.7885 178.1223 206.6016 761530.6937 -33.7924 -33.5388 PRESSURE: 1050800 -101.215 -257.292 34.4675 -257.292 -393.338 -91.3853 34.4665 -91.385 -416.121 GPRESSURE: 1050800 -108.851 -270.91 57.7483 -148.105 -321.745 -127.877 -3.61692 17.8926 -398.56 PRESSAVG: 1050800 26.576 -49.5957 37.4391 -49.5957 -17.144 -24.7536 37.4391 -24.7536 15.2354 GPRESSAVG: 1050800 26.0395 -49.9219 37.8646 -47.972 -17.8849 -25.171 38.309 -26.4371 16.8563 TIMING: 1050800 CPU: 3325.93, 0.00320369/step Wall: 3325.93, 0.00320369/step, 3.51445 hours remaining, 237.308594 MB of memory in use. ENERGY: 1050800 4036.5212 20660.2383 14429.2413 248.4749 -203191.3043 2412.7235 0.0000 0.0000 52271.6151 -109132.4899 300.4057 -161404.1050 -108770.7602 299.5292 -303.5581 -276.3851 762334.6177 8.2225 8.3370 PRESSURE: 1051000 294.776 81.262 14.3884 81.2626 -39.1147 60.7091 14.3886 60.71 502.126 GPRESSURE: 1051000 302.931 72.8472 -64.5924 -31.0608 -0.787956 64.8526 58.0814 149.07 521.594 PRESSAVG: 1051000 38.4054 -27.1582 45.3943 -27.1583 -57.9579 -7.41567 45.3942 -7.41566 15.2133 GPRESSAVG: 1051000 38.3933 -27.9878 44.4172 -28.8483 -56.7992 -6.06017 44.2767 -5.43564 14.0298 TIMING: 1051000 CPU: 3326.56, 0.0031724/step Wall: 3326.56, 0.0031724/step, 3.47994 hours remaining, 237.308594 MB of memory in use. ENERGY: 1051000 3892.8144 20666.0201 14463.8023 260.9470 -203271.5016 2640.2608 0.0000 0.0000 52267.2121 -109080.4450 300.3804 -161347.6572 -108707.0854 300.3137 252.5959 274.5789 762463.4809 -1.4464 -1.4587 PRESSURE: 1051200 -8.49433 55.0877 140.615 55.0873 57.6953 303.781 140.614 303.781 -99.5395 GPRESSURE: 1051200 59.3972 81.4782 136.805 25.832 -9.33361 397.323 28.792 238.323 -17.8043 PRESSAVG: 1051200 -29.2718 -43.6853 14.3988 -43.6853 -8.66212 20.522 14.3988 20.5221 -15.8108 GPRESSAVG: 1051200 -29.471 -43.6231 14.0226 -43.9926 -9.72536 20.1617 15.2934 18.5233 -14.7769 TIMING: 1051200 CPU: 3327.2, 0.00320824/step Wall: 3327.2, 0.00320824/step, 3.51909 hours remaining, 237.308594 MB of memory in use. ENERGY: 1051200 4038.7447 20680.2528 14450.3501 245.7455 -203277.1211 2564.3994 0.0000 0.0000 52028.0953 -109269.5333 299.0062 -161297.6286 -108908.6820 299.4358 -16.7795 10.7531 761365.3154 -17.9149 -17.9911 PRESSURE: 1051400 -376.879 -71.3714 60.6904 -71.3719 -329.19 238.305 60.6902 238.305 -690.376 GPRESSURE: 1051400 -426.502 -61.1331 97.6071 -113.422 -293.955 233.187 160.836 306.124 -569.148 PRESSAVG: 1051400 -50.3089 -6.19738 3.9189 -6.1973 49.0502 39.3781 3.91895 39.378 15.694 GPRESSAVG: 1051400 -49.0541 -6.8638 4.41457 -4.29441 49.3223 38.7023 4.07624 39.9707 15.1293 TIMING: 1051400 CPU: 3327.85, 0.00322081/step Wall: 3327.85, 0.00322081/step, 3.53269 hours remaining, 237.308594 MB of memory in use. ENERGY: 1051400 4029.1640 20545.7302 14473.8833 238.9730 -202805.7191 2146.6665 0.0000 0.0000 52149.2173 -109222.0848 299.7023 -161371.3021 -108859.7701 299.6156 -465.4820 -429.8682 761417.3884 4.8118 5.1325 PRESSURE: 1051600 -86.3525 14.2947 24.0094 14.2949 176.115 -72.9218 24.0102 -72.9232 -207.768 GPRESSURE: 1051600 -38.4117 -53.1437 -26.333 -9.98285 191.686 -190.113 131.614 -139.106 -191.03 PRESSAVG: 1051600 -16.757 -17.45 21.6738 -17.45 53.067 7.48137 21.6737 7.48131 -12.3229 GPRESSAVG: 1051600 -17.1827 -16.1094 20.3559 -19.3401 53.2218 7.55799 22.7169 6.5955 -12.034 TIMING: 1051600 CPU: 3328.49, 0.00320114/step Wall: 3328.49, 0.00320114/step, 3.51094 hours remaining, 237.308594 MB of memory in use. ENERGY: 1051600 4067.8208 20770.7432 14455.8093 249.7372 -203251.6950 2733.5720 0.0000 0.0000 51764.9470 -109209.0655 297.4939 -160974.0125 -108859.3500 299.7197 -39.3353 -12.5853 761128.1853 7.9957 8.0017 PRESSURE: 1051800 106.274 22.8777 184.075 22.8776 -84.9542 225.04 184.075 225.041 -74.1958 GPRESSURE: 1051800 128.384 54.7883 167.849 39.8559 -44.4898 302.262 87.9554 137.339 -55.0928 PRESSAVG: 1051800 -7.148 -15.7859 26.7151 -15.7859 -19.6565 -8.20494 26.7151 -8.20496 14.5672 GPRESSAVG: 1051800 -7.92161 -16.8056 27.9799 -15.7975 -20.1672 -8.16699 23.1179 -7.22734 15.4103 TIMING: 1051800 CPU: 3329.13, 0.00319733/step Wall: 3329.13, 0.00319733/step, 3.50658 hours remaining, 237.308594 MB of memory in use. ENERGY: 1051800 4073.7823 20670.3965 14459.2597 243.1198 -203457.0135 2891.1826 0.0000 0.0000 52198.0986 -108921.1742 299.9832 -161119.2728 -108565.1760 299.8436 -17.6252 9.6006 760833.7042 -4.0791 -4.2262 PRESSURE: 1052000 -12.5044 -30.2543 158.199 -30.2543 -101.036 3.25825 158.199 3.25833 -154.332 GPRESSURE: 1052000 90.0905 -102.734 89.5373 -40.8647 -87.3626 -52.0084 184.425 188.655 -193.977 PRESSAVG: 1052000 38.0283 -5.8784 -22.1827 -5.8784 -32.6302 -5.33539 -22.1827 -5.33537 27.5834 GPRESSAVG: 1052000 39.0651 -5.35243 -22.9522 -4.2649 -32.7303 -5.27731 -19.7306 -5.41406 26.6017 TIMING: 1052000 CPU: 3329.77, 0.0032147/step Wall: 3329.77, 0.0032147/step, 3.52546 hours remaining, 237.308594 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: 1052000 4036.2455 20576.8131 14451.8367 263.2972 -203353.2209 2637.4115 0.0000 0.0000 52254.7428 -109132.8741 300.3087 -161387.6169 -108759.1320 300.5131 -89.2907 -63.7497 761132.7270 10.9938 10.9789 PRESSURE: 1052200 -312.371 -134.922 -142.608 -134.921 -111.31 -41.4526 -142.608 -41.4525 -560.294 GPRESSURE: 1052200 -229.537 -110.416 -75.925 -115.547 -80.738 -105.376 -86.0619 32.7672 -598.185 PRESSAVG: 1052200 126.82 -11.6681 3.10859 -11.668 -144.083 -19.6968 3.10851 -19.6968 5.80968 GPRESSAVG: 1052200 126.913 -11.6487 4.74066 -13.424 -143.918 -19.4497 0.418944 -18.4279 5.8204 TIMING: 1052200 CPU: 3330.41, 0.00319679/step Wall: 3330.41, 0.00319679/step, 3.50563 hours remaining, 237.308594 MB of memory in use. ENERGY: 1052200 4048.2233 20570.9824 14448.1075 246.2152 -202950.6725 2359.8128 0.0000 0.0000 52028.7789 -109248.5523 299.0101 -161277.3312 -108887.4213 299.6177 -327.9914 -302.8198 761546.4429 -3.8178 -3.7282 LDB: ============= START OF LOAD BALANCING ============== 3342.86 LDB: ============== END OF LOAD BALANCING =============== 3342.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3342.87 LDB: ============= START OF LOAD BALANCING ============== 3343.18 LDB: Largest compute 7033 load 0.037242 is 19.1% of average load 0.195014 LDB: Average compute 0.004427 is 2.3% of average load 0.195014 LDB: TIME 3343.19 LOAD: AVG 0.195014 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 3343.19 LOAD: AVG 0.195014 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: TIME 3343.19 LOAD: AVG 0.195014 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: ============== END OF LOAD BALANCING =============== 3343.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3343.2 PRESSURE: 1052400 19.7355 65.3074 -136.344 65.3066 -269.118 -201.784 -136.344 -201.783 -85.6922 GPRESSURE: 1052400 114.871 154.878 -105.702 94.8819 -252.449 -269.088 -174.448 -141.794 -101.886 PRESSAVG: 1052400 46.6296 21.2883 8.97558 21.2883 -53.8796 24.4199 8.97562 24.4199 -5.70656 GPRESSAVG: 1052400 45.3809 21.8189 7.60849 24.0887 -53.61 22.9512 9.56519 23.9309 -5.53697 TIMING: 1052400 CPU: 3331.06, 0.0032611/step Wall: 3331.06, 0.0032611/step, 3.57598 hours remaining, 237.757812 MB of memory in use. ENERGY: 1052400 3966.3429 20527.7088 14498.3800 258.7973 -203036.5698 2399.8777 0.0000 0.0000 52175.1803 -109210.2828 299.8515 -161385.4632 -108850.5296 299.5756 -111.6914 -79.8216 762850.9488 -4.3188 -4.5887 PRESSURE: 1052600 -48.3348 119.7 -121.504 119.701 -489.269 187.142 -121.504 187.142 -125.559 GPRESSURE: 1052600 -7.36704 158.161 -88.7046 25.0649 -431.984 211.587 -28.0559 146.441 -141.473 PRESSAVG: 1052600 57.9938 -0.195048 -25.9733 -0.195101 -46.2888 -15.2919 -25.9733 -15.2918 9.65589 GPRESSAVG: 1052600 58.5528 1.42684 -25.4953 -1.92976 -45.4678 -13.6992 -25.2637 -15.3258 8.13986 TIMING: 1052600 CPU: 3331.7, 0.00320812/step Wall: 3331.7, 0.00320812/step, 3.5177 hours remaining, 237.960938 MB of memory in use. ENERGY: 1052600 3983.5607 20376.1349 14448.9645 245.9312 -202694.4137 2135.1981 0.0000 0.0000 52266.8070 -109237.8174 300.3781 -161504.6244 -108874.4864 299.6315 -221.0540 -193.6081 761307.9453 7.1203 7.0749 PRESSURE: 1052800 -64.6285 -34.4506 -137.475 -34.4502 74.2922 -280.858 -137.474 -280.857 27.5525 GPRESSURE: 1052800 29.8595 -79.2063 -76.0114 -84.8874 83.4595 -225.135 -80.5229 -232.456 19.474 PRESSAVG: 1052800 66.5261 -10.9771 -2.71002 -10.9771 -56.8048 1.44841 -2.71007 1.44837 -11.5678 GPRESSAVG: 1052800 66.5212 -12.891 -2.85435 -12.6808 -57.8462 0.917139 -2.76578 2.86681 -10.5217 TIMING: 1052800 CPU: 3332.34, 0.00320298/step Wall: 3332.34, 0.00320298/step, 3.51189 hours remaining, 238.027344 MB of memory in use. ENERGY: 1052800 4100.0733 20651.9247 14529.7348 260.1518 -202852.6723 2294.6616 0.0000 0.0000 51896.1068 -109120.0195 298.2476 -161016.1262 -108774.4630 299.7236 12.4054 44.2643 758897.7503 -0.6155 -0.6155 PRESSURE: 1053000 112.686 48.1119 -235.638 48.1115 279.62 -170.282 -235.638 -170.282 16.6606 GPRESSURE: 1053000 227.793 132.476 -247.432 59.4064 243.928 -63.8889 -184.091 -273.932 22.4793 PRESSAVG: 1053000 65.5063 16.9567 -9.44385 16.9567 19.2825 -12.0095 -9.44387 -12.0095 10.6121 GPRESSAVG: 1053000 64.8847 18.2863 -9.96588 19.9095 18.9609 -12.8582 -9.01311 -14.6872 10.6937 TIMING: 1053000 CPU: 3332.99, 0.00322016/step Wall: 3332.99, 0.00322016/step, 3.53054 hours remaining, 238.027344 MB of memory in use. ENERGY: 1053000 3891.4722 20559.4679 14519.3121 269.9405 -202904.3090 2407.1139 0.0000 0.0000 52252.8604 -109004.1419 300.2979 -161257.0024 -108635.4467 299.8910 136.3225 164.7336 760460.9012 31.8003 31.5131 PRESSURE: 1053200 -286.072 175.057 -51.7182 175.056 -525.426 21.7332 -51.7174 21.7339 -142.141 GPRESSURE: 1053200 -235.318 41.7203 4.6904 96.11 -486.751 45.3341 -59.7189 177.093 -157.614 PRESSAVG: 1053200 8.81722 -4.50503 -23.8468 -4.50497 -16.1682 -25.5912 -23.8467 -25.5911 -16.7305 GPRESSAVG: 1053200 7.72904 -5.33085 -24.5089 -6.09975 -16.3429 -26.7228 -26.3577 -23.5184 -15.8159 TIMING: 1053200 CPU: 3333.63, 0.00322922/step Wall: 3333.63, 0.00322922/step, 3.5403 hours remaining, 238.027344 MB of memory in use. ENERGY: 1053200 3900.4864 20640.5347 14488.1548 251.2737 -202422.4162 2123.4138 0.0000 0.0000 51963.6395 -109054.9133 298.6358 -161018.5529 -108686.1021 299.8018 -317.8798 -293.2280 763743.0133 -8.0271 -8.1432 PRESSURE: 1053400 38.8764 103.352 -58.6359 103.352 -132.01 -97.0939 -58.636 -97.0937 -120.651 GPRESSURE: 1053400 76.4866 -10.9655 40.4296 132.23 -77.7787 -10.2309 -90.7264 -39.9554 -143.552 PRESSAVG: 1053400 3.45758 37.2301 -96.812 37.2302 -11.1096 -31.5363 -96.812 -31.5363 1.91286 GPRESSAVG: 1053400 5.0228 35.0259 -96.9168 39.0953 -11.608 -29.911 -94.1236 -33.1021 0.780873 TIMING: 1053400 CPU: 3334.27, 0.00318681/step Wall: 3334.27, 0.00318681/step, 3.49363 hours remaining, 238.027344 MB of memory in use. ENERGY: 1053400 3984.0677 20510.7860 14500.4192 234.5431 -202868.0579 2458.9570 0.0000 0.0000 52081.2003 -109098.0846 299.3114 -161179.2849 -108734.2255 299.8638 -71.2617 -48.2815 761343.6695 -1.9130 -1.9348 PRESSURE: 1053600 -171.478 -16.9436 119.202 -16.9432 -291.09 -9.50621 119.202 -9.50604 -100.098 GPRESSURE: 1053600 -214.418 35.4934 111.828 -41.2243 -205.433 -82.4406 227.819 20.5584 -67.7714 PRESSAVG: 1053600 15.4437 10.5241 -16.6228 10.5241 8.34287 13.9837 -16.6228 13.9836 8.41712 GPRESSAVG: 1053600 15.429 11.8188 -14.9587 11.2305 8.74468 13.8928 -18.907 12.9857 8.01019 TIMING: 1053600 CPU: 3334.91, 0.0032149/step Wall: 3334.91, 0.0032149/step, 3.52424 hours remaining, 238.003906 MB of memory in use. ENERGY: 1053600 3959.3942 20473.2340 14442.4362 244.9093 -202892.3625 2371.9507 0.0000 0.0000 52170.0995 -109230.3387 299.8223 -161400.4381 -108863.7563 299.2000 -187.5553 -162.5407 762869.1609 10.7346 10.7280 PRESSURE: 1053800 116.169 -91.1087 -26.7578 -91.1084 -229.936 48.7277 -26.7571 48.7265 -255.398 GPRESSURE: 1053800 150.645 -110.572 34.7297 2.80814 -170.894 166.981 138.182 167.506 -271.425 PRESSAVG: 1053800 3.5026 -0.129285 59.4264 -0.129304 -7.35902 -36.4463 59.4265 -36.4464 15.7556 GPRESSAVG: 1053800 1.63631 0.734983 57.0671 -3.29446 -7.03255 -36.7491 61.7669 -35.0713 17.2091 TIMING: 1053800 CPU: 3335.56, 0.00321274/step Wall: 3335.56, 0.00321274/step, 3.5217 hours remaining, 238.003906 MB of memory in use. ENERGY: 1053800 4019.5123 20591.3639 14464.4308 254.4962 -203192.2091 2438.7467 0.0000 0.0000 52181.7073 -109241.9519 299.8890 -161423.6592 -108883.0543 299.6893 -123.0550 -97.2248 761091.8760 3.9664 3.9376 PRESSURE: 1054000 -156.139 -31.8713 -88.4246 -31.8714 -69.7718 140.75 -88.4245 140.75 115.91 GPRESSURE: 1054000 -187.817 15.275 -117.546 17.2199 82.1369 228.51 -94.1931 19.2288 75.5828 PRESSAVG: 1054000 72.9768 -17.0767 -11.5872 -17.0767 -30.8793 2.44599 -11.5872 2.44587 -3.48728 GPRESSAVG: 1054000 73.5616 -17.1465 -13.0265 -14.641 -29.1882 0.949196 -11.6568 2.29334 -5.06141 TIMING: 1054000 CPU: 3336.19, 0.00318751/step Wall: 3336.19, 0.00318751/step, 3.49386 hours remaining, 238.027344 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: 1054000 3958.0820 20728.1713 14473.1577 254.3541 -203330.8590 2549.6488 0.0000 0.0000 51849.5350 -109517.9101 297.9800 -161367.4451 -109157.8321 299.3033 -36.6670 -10.0324 761287.2781 12.8701 13.1040 PRESSURE: 1054200 105.321 72.4673 143.432 72.4682 125.58 -148.564 143.431 -148.565 229.734 GPRESSURE: 1054200 165.275 124.059 173.26 44.7222 106.956 -110.729 13.2394 -182.439 257.063 PRESSAVG: 1054200 70.3375 17.2372 17.8791 17.2372 -27.0033 -7.38281 17.8791 -7.38287 11.9063 GPRESSAVG: 1054200 70.73 16.4456 20.3992 15.8662 -28.8553 -6.98197 15.1988 -6.73326 13.372 TIMING: 1054200 CPU: 3336.83, 0.00318761/step Wall: 3336.83, 0.00318761/step, 3.4938 hours remaining, 238.027344 MB of memory in use. ENERGY: 1054200 3959.6573 20525.3843 14467.8141 244.3598 -203055.6656 2318.2484 0.0000 0.0000 52107.4265 -109432.7754 299.4621 -161540.2018 -109064.5266 298.8502 153.5447 176.4312 760899.7459 18.4135 18.4156 PRESSURE: 1054400 -39.9628 134.085 130.611 134.085 61.1601 -42.2015 130.611 -42.201 71.1947 GPRESSURE: 1054400 -0.691876 34.2124 28.6296 184.313 -4.48532 -37.1257 145.333 171.989 180.792 PRESSAVG: 1054400 32.4751 15.5823 -4.03939 15.5822 -68.5029 -52.3839 -4.03933 -52.3839 8.70901 GPRESSAVG: 1054400 32.0625 16.3413 -5.4439 15.93 -67.6405 -50.3436 -3.2627 -52.8965 8.36525 TIMING: 1054400 CPU: 3337.47, 0.00318173/step Wall: 3337.47, 0.00318173/step, 3.48717 hours remaining, 238.027344 MB of memory in use. ENERGY: 1054400 4079.1568 20566.4977 14455.7006 230.5222 -202947.5121 2389.8580 0.0000 0.0000 52057.4454 -109168.3315 299.1749 -161225.7769 -108806.9671 299.5919 30.7974 58.5383 761383.6056 -9.1063 -9.0709 PRESSURE: 1054600 -624.863 73.0371 -156.562 73.0367 -42.6847 -137.722 -156.562 -137.722 -63.2947 GPRESSURE: 1054600 -471.171 69.4059 -193.416 -10.7413 -59.4726 -159.613 -112.822 -70.6784 -104.428 PRESSAVG: 1054600 14.0507 13.1677 -8.60717 13.1677 -4.33032 -10.9642 -8.60718 -10.9641 20.4531 GPRESSAVG: 1054600 14.4958 12.4628 -9.18973 12.2488 -4.16014 -13.4395 -5.99609 -8.96053 19.3868 TIMING: 1054600 CPU: 3338.11, 0.00319211/step Wall: 3338.11, 0.00319211/step, 3.49837 hours remaining, 238.027344 MB of memory in use. ENERGY: 1054600 4062.7024 20538.0555 14567.2719 242.2853 -202825.7569 2175.1461 0.0000 0.0000 52171.6613 -109068.6344 299.8313 -161240.2957 -108709.0615 299.8180 -243.6143 -211.6907 759752.5767 10.0578 9.9075 PRESSURE: 1054800 22.7974 -15.0721 -86.209 -15.0725 -152.811 -195.223 -86.2092 -195.223 35.7523 GPRESSURE: 1054800 29.937 -58.3848 -72.6455 21.7028 -65.8369 -187.425 -158.28 -247.273 38.3742 PRESSAVG: 1054800 29.5831 -21.4554 20.7019 -21.4554 -23.4006 11.3367 20.7019 11.3368 -18.8595 GPRESSAVG: 1054800 30.6415 -22.1101 23.5255 -21.0309 -24.9601 12.3174 16.9498 9.54869 -18.1535 TIMING: 1054800 CPU: 3338.75, 0.00321353/step Wall: 3338.75, 0.00321353/step, 3.52168 hours remaining, 238.097656 MB of memory in use. ENERGY: 1054800 4031.7471 20670.6032 14535.9601 248.4588 -203098.9982 2398.8173 0.0000 0.0000 52297.1976 -108916.2141 300.5527 -161213.4117 -108565.2861 300.2849 -31.4204 0.8248 760723.7914 -4.2257 -4.1574 PRESSURE: 1055000 -339.272 -162.486 17.3066 -162.486 -268.209 -134.848 17.3065 -134.848 249.952 GPRESSURE: 1055000 -370.497 -161.819 38.9428 -136.921 -203.861 -27.5752 -53.5516 70.6654 302.827 PRESSAVG: 1055000 48.3125 -26.6158 -42.9905 -26.6158 -22.8363 36.1614 -42.9905 36.1615 -12.5977 GPRESSAVG: 1055000 47.3191 -25.8694 -43.6335 -26.6611 -21.6924 36.5662 -43.0018 36.1729 -12.681 TIMING: 1055000 CPU: 3339.39, 0.00319543/step Wall: 3339.39, 0.00319543/step, 3.50166 hours remaining, 238.097656 MB of memory in use. ENERGY: 1055000 4075.0668 20673.2345 14555.8839 258.1369 -203190.9374 2528.8365 0.0000 0.0000 52164.5174 -108935.2613 299.7902 -161099.7788 -108570.7275 300.7809 -119.1765 -90.5103 760731.7998 4.2929 4.3152 PRESSURE: 1055200 30.9375 48.7302 288.937 48.7302 63.8298 -25.3677 288.936 -25.3688 325.532 GPRESSURE: 1055200 117.578 12.4541 266.853 16.6251 55.6063 -26.4748 197.67 -94.5056 338.887 PRESSAVG: 1055200 60.311 51.3474 1.11141 51.3475 -58.0373 -30.8373 1.11153 -30.8373 8.39695 GPRESSAVG: 1055200 61.0038 51.8807 1.0636 52.062 -58.3747 -31.264 2.38241 -31.4225 8.46632 TIMING: 1055200 CPU: 3340.03, 0.00321901/step Wall: 3340.03, 0.00321901/step, 3.52731 hours remaining, 238.097656 MB of memory in use. ENERGY: 1055200 3973.2969 20695.0638 14492.9877 233.9813 -203475.1381 2796.4949 0.0000 0.0000 52092.2409 -109191.0726 299.3748 -161283.3135 -108836.3611 299.9492 140.0997 170.6905 760413.3111 3.5569 3.6985 PRESSURE: 1055400 120.593 32.1422 58.7342 32.142 42.535 -69.5842 58.7335 -69.5833 77.346 GPRESSURE: 1055400 111.75 151.43 44.3198 -10.137 65.6301 -190.921 32.6705 2.09043 152.322 PRESSAVG: 1055400 -19.0094 16.4196 26.1773 16.4195 -41.7854 24.0989 26.1772 24.099 -2.80584 GPRESSAVG: 1055400 -19.6402 17.5204 24.1852 15.2096 -42.164 23.7153 26.6228 21.7063 -2.13629 TIMING: 1055400 CPU: 3340.68, 0.00322755/step Wall: 3340.68, 0.00322755/step, 3.53649 hours remaining, 238.097656 MB of memory in use. ENERGY: 1055400 3918.2022 20731.8347 14457.9889 260.7850 -203798.7184 3021.9548 0.0000 0.0000 52194.7682 -109213.1846 299.9641 -161407.9528 -108857.2052 299.4657 80.1580 109.9007 762667.0665 -21.2002 -21.3135 PRESSURE: 1055600 -246.293 -282.591 187.157 -282.591 -85.8327 -235.226 187.158 -235.226 -18.2729 GPRESSURE: 1055600 -183.668 -277.566 259.496 -211.512 -56.4808 -238.254 65.8596 -204.521 -9.99028 PRESSAVG: 1055600 66.3418 -64.7677 -1.10138 -64.7677 -44.6649 17.0739 -1.10141 17.0738 -10.641 GPRESSAVG: 1055600 66.2666 -65.9912 -0.263812 -62.7193 -44.409 18.3584 -1.5988 18.9901 -11.6644 TIMING: 1055600 CPU: 3341.31, 0.00318027/step Wall: 3341.31, 0.00318028/step, 3.48452 hours remaining, 238.097656 MB of memory in use. ENERGY: 1055600 3943.1688 20579.1252 14520.8839 257.2078 -203560.5030 2817.5087 0.0000 0.0000 52030.4010 -109412.2075 299.0194 -161442.6086 -109050.0728 300.2679 -116.7994 -83.3796 762939.3698 3.6786 3.3977 PRESSURE: 1055800 207.646 329.939 45.2884 329.938 182.522 -39.638 45.2885 -39.6403 499.111 GPRESSURE: 1055800 214.363 303.923 -67.1786 158.813 198.749 -106.502 36.9801 45.3211 575.202 PRESSAVG: 1055800 53.9275 -22.603 24.4065 -22.603 22.5636 -25.2294 24.4066 -25.2294 53.5669 GPRESSAVG: 1055800 53.1535 -23.1326 23.1209 -23.378 22.9714 -25.6886 23.777 -25.083 54.0744 TIMING: 1055800 CPU: 3341.95, 0.00318457/step Wall: 3341.95, 0.00318457/step, 3.48905 hours remaining, 238.097656 MB of memory in use. ENERGY: 1055800 3926.3334 20588.1891 14523.1098 244.8699 -203506.0364 2955.3432 0.0000 0.0000 51944.7741 -109323.4170 298.5273 -161268.1911 -108957.1169 299.2048 296.4264 329.4381 761188.9491 43.3527 43.3998 PRESSURE: 1056000 -473.375 -44.5014 -208.982 -44.5013 -284.638 -51.0217 -208.981 -51.0214 -106.553 GPRESSURE: 1056000 -372.065 -44.4259 -211.029 -83.9524 -273.484 -18.5009 -75.0513 -148.262 -121.907 PRESSAVG: 1056000 -3.86602 -68.0812 -8.55557 -68.0812 -13.0396 21.161 -8.5555 21.161 -26.5626 GPRESSAVG: 1056000 -4.32367 -66.2059 -9.18993 -65.7953 -11.6364 19.5831 -8.29216 24.1946 -27.5427 TIMING: 1056000 CPU: 3342.59, 0.00322195/step Wall: 3342.59, 0.00322195/step, 3.52983 hours remaining, 238.097656 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: 1056000 3972.5604 20604.1016 14524.9069 248.5369 -202655.8965 2122.2641 0.0000 0.0000 52007.3787 -109176.1479 298.8871 -161183.5266 -108807.6034 299.3443 -288.1888 -255.8185 763988.1518 -14.4894 -14.5009 PRESSURE: 1056200 -99.0663 16.6576 -101.888 16.657 -137.407 -49.3472 -101.889 -49.3473 8.03606 GPRESSURE: 1056200 -76.8775 122.371 -107.216 37.8392 -54.0541 -90.751 -115.406 -87.0445 -3.43272 PRESSAVG: 1056200 -4.65534 -60.39 -14.9893 -60.39 1.96816 12.034 -14.9893 12.0341 -11.1226 GPRESSAVG: 1056200 -4.39766 -61.6304 -13.9845 -62.0424 0.616684 13.2312 -13.8704 6.7279 -10.4378 TIMING: 1056200 CPU: 3343.23, 0.00318026/step Wall: 3343.23, 0.00318026/step, 3.48397 hours remaining, 238.097656 MB of memory in use. ENERGY: 1056200 3979.5516 20647.7232 14507.9592 247.0750 -203001.0540 2411.6850 0.0000 0.0000 52023.8154 -109183.2446 298.9816 -161207.0600 -108825.4741 299.2175 -76.1458 -44.7881 763966.1062 -4.6033 -4.7396 LDB: ============= START OF LOAD BALANCING ============== 3355.69 LDB: ============== END OF LOAD BALANCING =============== 3355.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3355.69 LDB: ============= START OF LOAD BALANCING ============== 3356.01 LDB: Largest compute 7033 load 0.038134 is 19.5% of average load 0.195058 LDB: Average compute 0.004423 is 2.3% of average load 0.195058 LDB: TIME 3356.01 LOAD: AVG 0.195058 MAX 0.212655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.02 MB LDB: TIME 3356.01 LOAD: AVG 0.195058 MAX 0.212655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: TIME 3356.01 LOAD: AVG 0.195058 MAX 0.212655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: ============== END OF LOAD BALANCING =============== 3356.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3356.02 PRESSURE: 1056400 314.654 -6.33915 0.857995 -6.34021 -96.052 32.3315 0.858465 32.3304 107.342 GPRESSURE: 1056400 271.845 -20.1575 -2.43523 27.8692 -16.7499 54.9704 125.917 41.9599 161.605 PRESSAVG: 1056400 44.4528 -25.3205 -15.5656 -25.3205 -24.9158 8.41028 -15.5655 8.41024 31.4938 GPRESSAVG: 1056400 43.6785 -23.9799 -16.6713 -26.958 -23.8843 7.66803 -15.4973 9.96121 30.7693 TIMING: 1056400 CPU: 3343.88, 0.00326988/step Wall: 3343.88, 0.00326988/step, 3.58197 hours remaining, 237.503906 MB of memory in use. ENERGY: 1056400 3959.8696 20637.5235 14530.2928 251.3125 -203607.1427 2878.2526 0.0000 0.0000 52011.6646 -109338.2271 298.9118 -161349.8917 -108982.2288 299.8390 108.6480 138.9000 762220.8757 17.0103 16.8545 PRESSURE: 1056600 85.4646 -188.138 218.584 -188.138 -125.69 93.8472 218.584 93.8467 -571.317 GPRESSURE: 1056600 128.883 -208.139 245.893 -78.19 -142.042 158.136 46.8077 52.4159 -518.128 PRESSAVG: 1056600 -27.5804 -0.292844 -19.7207 -0.292837 31.31 -8.98188 -19.7206 -8.98186 -9.98196 GPRESSAVG: 1056600 -26.7977 -1.0886 -17.8826 0.238526 29.7052 -8.90943 -21.0683 -8.74382 -9.34037 TIMING: 1056600 CPU: 3344.52, 0.0031848/step Wall: 3344.52, 0.0031848/step, 3.48859 hours remaining, 237.574219 MB of memory in use. ENERGY: 1056600 3948.7284 20635.0976 14517.9708 238.0288 -203045.5922 2357.0911 0.0000 0.0000 51942.3789 -109406.2965 298.5136 -161348.6754 -109044.7584 298.8598 -203.8474 -177.0957 761207.8286 -2.0841 -2.1443 PRESSURE: 1056800 -150.271 -253.438 -39.3989 -253.438 -486.036 63.6534 -39.3991 63.6531 316.135 GPRESSURE: 1056800 -195.672 -227.574 -56.3165 -297.302 -338.954 63.957 -65.0994 102.312 283.88 PRESSAVG: 1056800 38.8484 -74.8949 -20.2167 -74.8949 0.947223 33.326 -20.2167 33.326 10.7793 GPRESSAVG: 1056800 38.9177 -75.1361 -21.2939 -73.7424 0.629931 35.1202 -21.3232 33.5502 10.6672 TIMING: 1056800 CPU: 3345.16, 0.00317206/step Wall: 3345.16, 0.00317206/step, 3.47447 hours remaining, 237.574219 MB of memory in use. ENERGY: 1056800 3999.0295 20467.4557 14429.1757 249.1845 -202947.9963 2511.4644 0.0000 0.0000 51980.6943 -109310.9921 298.7338 -161291.6864 -108951.0449 299.2154 -106.7239 -83.5819 761801.9921 16.8583 16.7383 PRESSURE: 1057000 136.985 29.1998 137.623 29.2005 -101.262 -78.0816 137.624 -78.081 -80.7428 GPRESSURE: 1057000 268.76 -18.0916 91.504 -14.4628 -84.2104 -81.7141 206.133 -13.5527 -137.49 PRESSAVG: 1057000 -18.1429 -26.7412 -14.2088 -26.7412 -7.20019 33.8282 -14.2087 33.8282 24.738 GPRESSAVG: 1057000 -17.4822 -25.8415 -12.5916 -29.1133 -5.6418 32.2045 -13.8217 35.3122 22.359 TIMING: 1057000 CPU: 3345.79, 0.00316032/step Wall: 3345.79, 0.00316032/step, 3.46143 hours remaining, 237.574219 MB of memory in use. ENERGY: 1057000 3946.9235 20630.6398 14518.0587 245.8688 -203183.2026 2606.4394 0.0000 0.0000 51967.4009 -109267.8716 298.6574 -161235.2725 -108901.1786 299.0121 -15.0067 15.6865 762156.6614 -0.2017 -0.2550 PRESSURE: 1057200 -180.179 -3.21899 27.8549 -3.21897 -477.55 -123.853 27.8535 -123.853 -422.107 GPRESSURE: 1057200 -209.359 -69.9106 67.498 1.27817 -383.103 -161.961 101.16 -137.472 -415.471 PRESSAVG: 1057200 41.9507 -24.4132 13.2258 -24.4132 -46.9925 3.3387 13.2258 3.33868 -2.84969 GPRESSAVG: 1057200 40.8309 -29.1454 10.9372 -21.7499 -48.2767 3.16266 16.1775 2.28267 -0.510954 TIMING: 1057200 CPU: 3346.42, 0.00316308/step Wall: 3346.42, 0.00316308/step, 3.46428 hours remaining, 237.574219 MB of memory in use. ENERGY: 1057200 3942.1279 20720.3686 14504.8793 248.9353 -202644.1393 2180.8207 0.0000 0.0000 51926.2831 -109120.7244 298.4211 -161047.0075 -108758.1661 299.3424 -359.9451 -335.9774 762830.7491 -2.6305 -2.6522 PRESSURE: 1057400 -169.715 -114.163 28.3702 -114.163 -78.9313 29.042 28.3692 29.0416 146.316 GPRESSURE: 1057400 -20.1042 -75.7322 98.737 -133.107 -110.366 -9.82572 40.7966 15.8152 110.934 PRESSAVG: 1057400 17.3285 23.875 -12.5656 23.875 22.864 -16.7391 -12.5655 -16.739 21.0754 GPRESSAVG: 1057400 18.5603 29.5452 -11.368 23.4383 22.2957 -15.9199 -13.952 -18.0737 20.3511 TIMING: 1057400 CPU: 3347.06, 0.00318767/step Wall: 3347.06, 0.00318767/step, 3.49103 hours remaining, 237.574219 MB of memory in use. ENERGY: 1057400 4007.8895 20538.6020 14569.2649 254.0314 -203688.6183 2707.0070 0.0000 0.0000 52242.4091 -109369.4144 300.2378 -161611.8235 -109000.4526 299.3907 -34.1099 -6.5118 759763.8331 20.4226 20.4023 PRESSURE: 1057600 46.1506 27.2109 72.8986 27.2098 -40.102 -46.2555 72.8981 -46.2565 -310.017 GPRESSURE: 1057600 140.24 -20.3053 117.27 56.7096 -72.2488 71.6611 163.107 -39.8781 -290.585 PRESSAVG: 1057600 41.6129 51.7171 -13.1681 51.717 -27.948 33.9527 -13.1681 33.9526 1.15702 GPRESSAVG: 1057600 41.398 51.9024 -13.3998 51.4918 -27.7187 34.489 -11.1422 35.9266 1.15717 TIMING: 1057600 CPU: 3347.69, 0.00318166/step Wall: 3347.69, 0.00318166/step, 3.48428 hours remaining, 237.574219 MB of memory in use. ENERGY: 1057600 3935.2336 20532.9817 14475.2235 257.2716 -203378.6809 2475.5454 0.0000 0.0000 52200.5442 -109501.8810 299.9972 -161702.4251 -109141.7407 299.7038 -101.3228 -74.1980 760327.9842 4.9406 4.9455 PRESSURE: 1057800 -197.383 -205.212 167.271 -205.213 -219.294 -96.9536 167.271 -96.9529 -267.519 GPRESSURE: 1057800 -265.824 -177.305 90.3365 -171.388 -85.3377 -162.119 144.129 -89.0844 -242.389 PRESSAVG: 1057800 3.4252 -4.5965 2.83281 -4.59651 19.8638 -1.80807 2.83282 -1.80807 -4.24488 GPRESSAVG: 1057800 2.72002 -6.99705 2.60432 -3.56561 19.6619 -1.55518 0.399097 -3.68701 -2.5334 TIMING: 1057800 CPU: 3348.33, 0.00319357/step Wall: 3348.33, 0.00319357/step, 3.49714 hours remaining, 237.574219 MB of memory in use. ENERGY: 1057800 3989.9536 20491.9250 14453.1673 241.3758 -203214.7293 2481.7690 0.0000 0.0000 52034.5510 -109521.9875 299.0433 -161556.5386 -109153.6633 299.1725 -228.0651 -197.8499 761391.7783 6.3480 6.6162 PRESSURE: 1058000 -68.9263 68.0649 -120.717 68.0646 -237.204 70.2954 -120.717 70.2958 63.0315 GPRESSURE: 1058000 -9.39446 6.66778 -51.0618 3.17403 -188.242 69.5347 -80.3467 31.4456 57.6383 PRESSAVG: 1058000 34.3916 -2.36722 -9.2279 -2.36725 -29.6029 11.4986 -9.22793 11.4986 -2.07585 GPRESSAVG: 1058000 34.7057 -0.455403 -8.01918 -4.00355 -29.3883 10.3322 -10.0345 11.3745 -2.88833 TIMING: 1058000 CPU: 3348.97, 0.0032055/step Wall: 3348.97, 0.0032055/step, 3.51003 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1058000 3949.8703 20466.3205 14487.5619 229.9179 -202885.1833 2227.0187 0.0000 0.0000 51970.4891 -109554.0049 298.6751 -161524.4940 -109187.6933 298.4396 -81.0330 -46.6660 762141.6912 0.9043 0.8097 PRESSURE: 1058200 -183.651 -8.47463 140.152 -8.47418 -31.146 -40.549 140.151 -40.5474 68.0019 GPRESSURE: 1058200 -39.9679 -39.6447 123.704 42.3553 -73.3369 56.3205 108.165 -28.3388 38.4443 PRESSAVG: 1058200 35.6549 -61.2232 -44.2286 -61.2233 -3.52788 -11.3689 -44.2285 -11.369 1.63751 GPRESSAVG: 1058200 34.4908 -63.7957 -45.1039 -59.5127 -3.22167 -10.9955 -42.9149 -10.5967 1.94554 TIMING: 1058200 CPU: 3349.61, 0.00319207/step Wall: 3349.61, 0.00319207/step, 3.49514 hours remaining, 237.574219 MB of memory in use. ENERGY: 1058200 4021.9122 20501.4839 14497.0800 228.4434 -202691.0564 2058.2543 0.0000 0.0000 52203.0477 -109180.8350 300.0116 -161383.8827 -108822.0335 299.2469 -48.9316 -24.9535 761896.8255 11.2548 11.0715 PRESSURE: 1058400 51.7561 -71.48 41.3298 -71.4802 -288.613 -75.2055 41.3299 -75.206 246.126 GPRESSURE: 1058400 8.51541 -8.61719 -66.166 -221.329 -194.173 -104.775 171.893 -159.384 266.969 PRESSAVG: 1058400 6.02391 -35.9015 7.00059 -35.9016 -3.89185 -9.89653 7.00058 -9.89652 17.0331 GPRESSAVG: 1058400 6.94335 -33.9635 6.20163 -37.2697 -5.2187 -9.78039 5.43206 -8.76988 17.4958 TIMING: 1058400 CPU: 3350.25, 0.00319012/step Wall: 3350.25, 0.00319013/step, 3.49283 hours remaining, 237.574219 MB of memory in use. ENERGY: 1058400 3986.8883 20412.0251 14461.8287 250.0309 -203015.9151 2513.6577 0.0000 0.0000 51958.3261 -109433.1583 298.6052 -161391.4843 -109071.6895 299.1823 3.0897 27.1039 760265.7531 6.3884 6.4068 PRESSURE: 1058600 -357.306 -109.515 -124.604 -109.514 -586.097 -190.058 -124.603 -190.059 -481.257 GPRESSURE: 1058600 -333.276 -46.0825 32.8887 -142.626 -532.15 -177.272 -201.174 -58.6162 -488.003 PRESSAVG: 1058600 39.1405 -47.3918 18.0568 -47.3919 2.85423 42.7892 18.0568 42.7892 3.84966 GPRESSAVG: 1058600 38.5999 -47.5785 18.4259 -46.2247 4.07793 43.7593 20.8718 40.0018 3.44692 TIMING: 1058600 CPU: 3350.89, 0.00318769/step Wall: 3350.89, 0.00318769/step, 3.48999 hours remaining, 237.574219 MB of memory in use. ENERGY: 1058600 4047.3782 20432.9569 14504.4921 237.2733 -202894.8112 2135.7571 0.0000 0.0000 52026.2478 -109510.7059 298.9956 -161536.9537 -109155.0726 298.7857 -474.8868 -451.1429 761767.5727 15.2815 15.3749 PRESSURE: 1058800 153.217 -35.597 28.7872 -35.5974 -207.616 158.904 28.7878 158.906 -58.5811 GPRESSURE: 1058800 154.18 55.7176 45.8112 21.2189 -118.1 75.1129 113.772 130.776 -68.9402 PRESSAVG: 1058800 -33.8642 -59.1408 25.8456 -59.1408 5.4383 12.7556 25.8456 12.7555 -13.2855 GPRESSAVG: 1058800 -32.9083 -59.1481 26.1128 -60.2909 5.48847 12.499 23.9515 15.3502 -14.7136 TIMING: 1058800 CPU: 3351.53, 0.00321941/step Wall: 3351.53, 0.00321941/step, 3.52454 hours remaining, 237.574219 MB of memory in use. ENERGY: 1058800 3936.0248 20431.8270 14503.2415 238.1152 -203321.9697 2588.3084 0.0000 0.0000 51874.0763 -109750.3766 298.1210 -161624.4529 -109392.0895 298.7553 -37.6599 -10.9534 761058.4737 -13.9038 -14.0445 PRESSURE: 1059000 -538.803 205.987 -289.178 205.987 132.905 -166.283 -289.178 -166.283 249.205 GPRESSURE: 1059000 -456.053 151.979 -289.217 144.803 110.588 -179.13 -271.347 -193.336 255.714 PRESSAVG: 1059000 -3.69807 -17.2524 -41.9081 -17.2524 11.8469 35.1393 -41.9081 35.1393 -0.14756 GPRESSAVG: 1059000 -5.69582 -16.2533 -40.9252 -18.2202 11.8119 32.4385 -42.5845 34.7856 0.945297 TIMING: 1059000 CPU: 3352.18, 0.00322459/step Wall: 3352.18, 0.00322459/step, 3.53003 hours remaining, 237.574219 MB of memory in use. ENERGY: 1059000 3947.2901 20542.3206 14552.5247 237.6428 -203023.9875 2167.9763 0.0000 0.0000 52045.9623 -109530.2708 299.1089 -161576.2331 -109174.1788 298.6264 -52.2311 -29.9170 760121.0529 2.6671 2.3538 PRESSURE: 1059200 -97.9475 114.691 -45.2571 114.691 -40.2026 -77.4539 -45.2576 -77.4541 -36.8897 GPRESSURE: 1059200 27.0611 99.9237 -14.5762 103.033 -168.88 -63.8579 -26.885 -120.898 55.9724 PRESSAVG: 1059200 64.2263 -43.9436 14.3058 -43.9436 -57.0348 -10.2384 14.3057 -10.2385 14.3462 GPRESSAVG: 1059200 65.7899 -46.645 14.3383 -42.2251 -58.1832 -8.79301 15.1489 -11.1733 14.1174 TIMING: 1059200 CPU: 3352.82, 0.00321886/step Wall: 3352.82, 0.00321886/step, 3.52357 hours remaining, 237.574219 MB of memory in use. ENERGY: 1059200 3972.5194 20534.1210 14517.8899 240.3138 -203266.9870 2589.9888 0.0000 0.0000 52048.5280 -109363.6260 299.1236 -161412.1540 -109010.1577 299.0789 -58.3466 -28.6154 761013.5952 7.1793 7.2414 PRESSURE: 1059400 -488.087 -75.2344 -144.065 -75.2336 -302.244 -95.4896 -144.065 -95.4915 -377.264 GPRESSURE: 1059400 -369.759 -107.376 -238.852 -173.061 -304.208 -138.713 -192.597 -55.4266 -399.443 PRESSAVG: 1059400 -15.1241 -26.1609 9.22505 -26.1608 -66.2933 13.4852 9.22503 13.4853 35.5149 GPRESSAVG: 1059400 -16.195 -25.6485 8.02859 -27.0869 -65.3125 12.8057 9.3247 15.6272 35.2485 TIMING: 1059400 CPU: 3353.46, 0.0032087/step Wall: 3353.46, 0.0032087/step, 3.51228 hours remaining, 237.574219 MB of memory in use. ENERGY: 1059400 4011.0139 20512.5077 14524.0590 245.7246 -202942.5531 2211.1421 0.0000 0.0000 51825.0443 -109613.0614 297.8392 -161438.1057 -109248.0563 299.0655 -389.1984 -357.8031 761840.8935 -15.3009 -15.4196 PRESSURE: 1059600 188.064 90.4779 137.415 90.4773 -335.181 -166.593 137.415 -166.593 -696.757 GPRESSURE: 1059600 130.959 99.7287 80.0078 134.935 -220.147 -55.6857 150.241 -203.43 -670.074 PRESSAVG: 1059600 77.3955 -24.879 -7.37092 -24.8791 -23.2765 -6.59536 -7.37095 -6.59536 11.2133 GPRESSAVG: 1059600 78.4207 -25.6006 -8.10731 -23.9917 -24.8626 -5.85234 -6.537 -9.23982 11.4568 TIMING: 1059600 CPU: 3354.1, 0.00321002/step Wall: 3354.1, 0.00321002/step, 3.51355 hours remaining, 237.574219 MB of memory in use. ENERGY: 1059600 4025.3990 20564.7003 14534.6918 253.6209 -203348.7541 2483.5024 0.0000 0.0000 52093.1660 -109393.6738 299.3801 -161486.8398 -109030.4697 299.0367 -281.2916 -253.0872 761276.3087 21.7775 21.6716 PRESSURE: 1059800 -182.791 16.4082 82.7764 16.4082 -333.698 -13.5648 82.7769 -13.5662 57.6907 GPRESSURE: 1059800 -241.669 89.2962 102.249 -44.947 -237.046 28.1779 106.109 -72.5918 85.0905 PRESSAVG: 1059800 83.9484 -25.9806 20.6923 -25.9805 -103.526 -10.9644 20.6923 -10.9645 -2.45313 GPRESSAVG: 1059800 82.7467 -24.2585 22.3474 -26.1109 -101.412 -12.475 20.1599 -7.14602 -3.42879 TIMING: 1059800 CPU: 3354.75, 0.00322208/step Wall: 3354.75, 0.00322208/step, 3.52657 hours remaining, 237.574219 MB of memory in use. ENERGY: 1059800 4000.9004 20472.4904 14487.3750 240.8003 -203203.9165 2372.9074 0.0000 0.0000 52026.8380 -109602.6049 298.9990 -161629.4430 -109236.4838 299.2685 -152.9327 -131.2082 760452.5555 -7.3436 -7.3647 PRESSURE: 1060000 13.8781 -55.1855 6.32647 -55.1854 -392.513 -37.1605 6.32677 -37.1601 324.817 GPRESSURE: 1060000 84.2732 -66.2051 -34.6914 -38.9829 -381.813 -40.3889 56.1662 -93.9714 329.795 PRESSAVG: 1060000 58.8953 -10.6072 29.4383 -10.6072 -25.4087 -6.48421 29.4383 -6.48413 1.43065 GPRESSAVG: 1060000 59.5478 -11.6896 29.1982 -11.2402 -24.7625 -5.87294 29.8838 -8.07453 0.349939 TIMING: 1060000 CPU: 3355.39, 0.00321297/step Wall: 3355.39, 0.00321298/step, 3.51642 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1060000 3966.7895 20453.8062 14547.3215 247.7411 -203451.7911 2596.2313 0.0000 0.0000 52020.8992 -109619.0024 298.9648 -161639.9015 -109255.9330 298.3863 -17.9392 10.7519 762045.6842 11.6391 11.7118 PRESSURE: 1060200 214.748 -134.274 86.1348 -134.275 149.616 64.5109 86.1344 64.5112 160.347 GPRESSURE: 1060200 161.54 -18.8278 29.7864 -86.9042 255.709 78.3203 187.185 85.482 203.076 PRESSAVG: 1060200 70.7068 -26.0221 -22.6129 -26.0221 -59.5666 14.076 -22.6129 14.0761 -16.3404 GPRESSAVG: 1060200 71.0358 -25.8206 -23.0525 -25.3803 -60.9377 15.2217 -23.1062 13.6479 -15.1392 TIMING: 1060200 CPU: 3356.03, 0.00320875/step Wall: 3356.03, 0.00320875/step, 3.51162 hours remaining, 237.574219 MB of memory in use. ENERGY: 1060200 3998.7609 20420.4397 14487.3313 237.5658 -203806.2825 2951.0310 0.0000 0.0000 52355.8602 -109355.2936 300.8898 -161711.1538 -108991.3939 299.0962 174.9037 206.7749 760448.9774 -1.7334 -1.6803 LDB: ============= START OF LOAD BALANCING ============== 3368.49 LDB: ============== END OF LOAD BALANCING =============== 3368.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3368.49 LDB: ============= START OF LOAD BALANCING ============== 3368.82 LDB: Largest compute 7033 load 0.038402 is 19.7% of average load 0.195101 LDB: Average compute 0.004438 is 2.3% of average load 0.195101 LDB: TIME 3368.82 LOAD: AVG 0.195101 MAX 0.21781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.883 MB LDB: TIME 3368.82 LOAD: AVG 0.195101 MAX 0.21781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.086 MB LDB: TIME 3368.82 LOAD: AVG 0.195101 MAX 0.215898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.086 MB LDB: ============== END OF LOAD BALANCING =============== 3368.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3368.83 PRESSURE: 1060400 173.366 75.028 18.3688 75.0288 -116.441 169.188 18.369 169.187 -545.973 GPRESSURE: 1060400 131.051 97.2771 128.474 -26.2346 -11.7142 280.061 36.1117 51.0418 -523.59 PRESSAVG: 1060400 36.7784 -54.7099 25.6404 -54.71 -55.7522 -28.2795 25.6405 -28.2795 -1.87296 GPRESSAVG: 1060400 35.8712 -57.4193 26.3952 -54.5311 -55.8754 -27.1265 27.6678 -28.1042 -1.28905 TIMING: 1060400 CPU: 3356.69, 0.0032921/step Wall: 3356.69, 0.00329209/step, 3.60265 hours remaining, 238.050781 MB of memory in use. ENERGY: 1060400 3968.3108 20300.6937 14491.4096 253.3661 -203367.2312 2624.9928 0.0000 0.0000 52028.3441 -109700.1142 299.0076 -161728.4582 -109332.5065 298.8782 -163.0163 -134.7511 761709.2102 -6.9489 -7.0978 PRESSURE: 1060600 -39.1714 120.902 -70.1946 120.902 226.275 -74.2672 -70.1947 -74.2678 300.711 GPRESSURE: 1060600 74.3505 178.256 -81.7565 183.778 298.158 -106.569 -75.111 -122.079 231.236 PRESSAVG: 1060600 0.23509 -39.5474 41.1038 -39.5474 28.3258 11.6679 41.1038 11.6679 17.9149 GPRESSAVG: 1060600 0.600164 -36.3006 39.6457 -40.4006 28.4009 11.0751 40.6971 9.61592 17.6344 TIMING: 1060600 CPU: 3357.33, 0.00321035/step Wall: 3357.33, 0.00321035/step, 3.51301 hours remaining, 238.050781 MB of memory in use. ENERGY: 1060600 4086.7253 20455.4758 14460.3527 242.1848 -203279.2336 2748.6900 0.0000 0.0000 51784.9963 -109500.8086 297.6091 -161285.8049 -109151.6144 298.3596 162.6051 201.2483 761207.0207 15.4919 15.5451 PRESSURE: 1060800 190.904 60.697 -4.41648 60.6968 247.605 20.6383 -4.41651 20.6378 -320.914 GPRESSURE: 1060800 221.878 29.5829 27.6508 20.4269 291.823 27.9555 21.666 -55.7511 -314.158 PRESSAVG: 1060800 25.5701 -36.5462 -24.6329 -36.5462 17.009 -22.8294 -24.6329 -22.8294 -10.2778 GPRESSAVG: 1060800 26.2547 -37.4986 -23.7976 -36.4284 16.8813 -24.3105 -24.55 -21.8421 -10.8618 TIMING: 1060800 CPU: 3357.97, 0.00319216/step Wall: 3357.97, 0.00319216/step, 3.49294 hours remaining, 238.050781 MB of memory in use. ENERGY: 1060800 3955.4967 20473.3398 14472.5691 237.9138 -203118.4367 2455.9756 0.0000 0.0000 52238.6593 -109284.4824 300.2163 -161523.1418 -108917.9904 299.2101 39.1984 66.5144 762158.3801 10.7671 10.7580 PRESSURE: 1061000 -124.27 -62.4604 -81.1862 -62.4602 -338.665 -10.6429 -81.186 -10.6418 169.46 GPRESSURE: 1061000 -122.854 -52.8399 -65.8743 -61.7765 -243.512 -35.3236 -142.016 -45.0066 147.222 PRESSAVG: 1061000 -25.1834 -10.1682 -37.409 -10.1682 -7.15196 32.5182 -37.409 32.5182 2.02195 GPRESSAVG: 1061000 -25.0143 -11.7628 -36.9447 -11.0416 -6.71138 33.9156 -38.6915 31.6102 1.89236 TIMING: 1061000 CPU: 3358.61, 0.00319441/step Wall: 3358.61, 0.00319441/step, 3.49521 hours remaining, 238.050781 MB of memory in use. ENERGY: 1061000 3977.3225 20690.6866 14514.0808 235.7728 -203040.3408 2233.2040 0.0000 0.0000 52050.5335 -109338.7406 299.1351 -161389.2741 -108970.8342 299.4013 -97.8254 -73.0479 763362.8517 -10.1045 -9.9444 PRESSURE: 1061200 122.319 -161.104 -46.7707 -161.103 -252.112 189.373 -46.7709 189.372 -416.679 GPRESSURE: 1061200 209.894 -147.451 -146.474 -58.0402 -187.895 112.288 36.017 237.945 -488.49 PRESSAVG: 1061200 -22.7124 12.9913 30.0244 12.9913 52.9242 12.2499 30.0245 12.2499 -32.2185 GPRESSAVG: 1061200 -22.9029 14.2055 28.355 13.6984 51.4158 12.0974 31.6336 12.9439 -30.7757 TIMING: 1061200 CPU: 3359.26, 0.00324331/step Wall: 3359.26, 0.00324331/step, 3.54854 hours remaining, 238.050781 MB of memory in use. ENERGY: 1061200 3979.6403 20486.8517 14504.7179 263.6752 -203298.9836 2766.0205 0.0000 0.0000 51891.9297 -109406.1483 298.2236 -161298.0780 -109036.2755 299.1082 -182.1573 -155.4972 761474.8861 -0.6689 -0.7543 PRESSURE: 1061400 -283.293 -18.4061 15.0856 -18.4058 -338.995 157.843 15.0861 157.844 -45.3806 GPRESSURE: 1061400 -117.09 26.9557 30.1728 -29.1734 -372.464 183.22 33.3496 165.347 -68.3894 PRESSAVG: 1061400 27.3218 -8.55493 -0.545212 -8.55491 -48.3323 3.25103 -0.545211 3.25108 1.08185 GPRESSAVG: 1061400 26.6807 -8.44014 -0.143989 -7.37603 -47.4901 3.0209 -1.11263 3.20377 0.72238 TIMING: 1061400 CPU: 3359.9, 0.00321761/step Wall: 3359.9, 0.0032176/step, 3.52024 hours remaining, 238.050781 MB of memory in use. ENERGY: 1061400 4022.3062 20559.7253 14454.6934 252.5167 -202894.8193 2384.6466 0.0000 0.0000 52038.6130 -109182.3181 299.0666 -161220.9311 -108825.4496 299.3415 -222.5563 -185.9810 762220.8634 -6.6429 -6.6957 PRESSURE: 1061600 -412.809 -80.6263 70.9765 -80.6263 -101.751 -109.641 70.9767 -109.64 215.232 GPRESSURE: 1061600 -292.766 -44.2483 46.2949 -113.806 -159.017 -180.402 123.065 -116.35 219.464 PRESSAVG: 1061600 -11.8344 -13.526 -1.39745 -13.526 26.7324 -26.2685 -1.39748 -26.2684 24.178 GPRESSAVG: 1061600 -10.759 -13.2661 -1.86422 -14.5956 26.9762 -25.9524 -1.58679 -27.2026 22.7146 TIMING: 1061600 CPU: 3360.54, 0.00318943/step Wall: 3360.54, 0.00318943/step, 3.48924 hours remaining, 238.050781 MB of memory in use. ENERGY: 1061600 3964.9685 20335.3001 14444.6845 238.9755 -202973.2475 2394.4457 0.0000 0.0000 52106.0213 -109488.8518 299.4540 -161594.8731 -109121.4584 299.1178 -99.7761 -77.4397 762998.1622 13.0253 12.9773 PRESSURE: 1061800 123.628 -61.5574 36.0343 -61.5577 268.609 -15.976 36.0348 -15.9765 137.501 GPRESSURE: 1061800 287.478 -91.3755 43.7915 -107.398 285.857 -24.516 132.019 -73.7191 54.9185 PRESSAVG: 1061800 44.8246 6.48255 21.6402 6.48256 18.6368 -19.3984 21.6402 -19.3984 5.49181 GPRESSAVG: 1061800 45.5706 7.11641 22.8917 5.09841 17.3024 -20.9009 20.7308 -18.3671 5.73978 TIMING: 1061800 CPU: 3361.18, 0.00321901/step Wall: 3361.18, 0.00321901/step, 3.52142 hours remaining, 238.050781 MB of memory in use. ENERGY: 1061800 3925.6757 20489.3247 14473.6327 255.5156 -203289.1146 2757.7050 0.0000 0.0000 52078.0241 -109309.2367 299.2931 -161387.2608 -108937.8114 299.5513 176.5797 209.4178 761402.2918 22.9844 22.8709 PRESSURE: 1062000 114.586 45.4322 44.5977 45.4326 -417.718 39.5873 44.5972 39.588 -112.18 GPRESSURE: 1062000 46.9209 142.759 40.7038 52.0296 -297.173 15.5489 -3.28648 118.058 -66.6221 PRESSAVG: 1062000 44.5358 -10.8241 -4.61632 -10.8241 -17.7178 71.6095 -4.61633 71.6095 10.9173 GPRESSAVG: 1062000 42.7603 -11.5639 -4.89338 -9.45713 -16.5256 73.9559 -1.69216 72.4548 11.5003 TIMING: 1062000 CPU: 3361.82, 0.00319276/step Wall: 3361.82, 0.00319276/step, 3.49252 hours remaining, 238.050781 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: 1062000 4000.9433 20459.3503 14486.4363 226.4591 -203185.9149 2443.0242 0.0000 0.0000 52202.1451 -109367.5565 300.0064 -161569.7017 -109012.1534 299.7006 -138.4372 -105.6248 761088.1784 12.5784 12.5783 PRESSURE: 1062200 11.9278 -29.8897 48.5811 -29.8897 22.0487 329.924 48.5802 329.923 -49.5957 GPRESSURE: 1062200 -9.529 -120.267 6.80743 -100.356 62.7785 346.835 38.5003 233.982 21.283 PRESSAVG: 1062200 -28.9744 -33.0918 -9.98561 -33.0919 13.9563 -8.19309 -9.98559 -8.19309 2.54828 GPRESSAVG: 1062200 -29.175 -32.5941 -9.92938 -31.9435 13.4519 -7.54702 -14.729 -9.14504 3.10472 TIMING: 1062200 CPU: 3362.47, 0.0032122/step Wall: 3362.47, 0.0032122/step, 3.51361 hours remaining, 238.050781 MB of memory in use. ENERGY: 1062200 4012.5060 20448.1668 14471.1096 240.2380 -203131.7798 2603.2450 0.0000 0.0000 51955.6723 -109400.8421 298.5900 -161356.5144 -109039.7234 299.2392 -5.2064 24.8441 761523.4635 -4.1566 -4.2061 PRESSURE: 1062400 165.898 -212.987 0.588841 -212.987 -180.296 83.6304 0.58782 83.6312 -18.8106 GPRESSURE: 1062400 151.453 -158.953 -32.9536 -148.356 -62.2756 149.452 182.21 35.6378 -28.8263 PRESSAVG: 1062400 -26.4573 -5.71012 24.2007 -5.71009 5.54492 17.8779 24.2007 17.8779 4.94602 GPRESSAVG: 1062400 -26.2811 -6.23281 24.4411 -9.38712 6.21678 15.628 26.7863 18.6414 3.94158 TIMING: 1062400 CPU: 3363.11, 0.00320235/step Wall: 3363.11, 0.00320235/step, 3.50266 hours remaining, 238.050781 MB of memory in use. ENERGY: 1062400 3985.3751 20431.7722 14450.2270 253.7707 -202799.0781 2326.5218 0.0000 0.0000 51999.0994 -109352.3119 298.8395 -161351.4112 -108988.0077 299.3028 -11.0694 20.1169 760786.3940 -5.3221 -5.3743 PRESSURE: 1062600 -253.057 1.51129 -129.822 1.51045 -163.776 -155.931 -129.822 -155.93 -130.436 GPRESSURE: 1062600 -185.197 56.6762 -111.71 -17.1844 -128.161 -71.3789 -197.123 -135.916 -161.312 PRESSAVG: 1062600 -7.66528 12.052 17.5331 12.052 37.9618 -11.744 17.5331 -11.744 0.911231 GPRESSAVG: 1062600 -6.33499 12.5127 16.9104 15.288 36.2491 -9.84598 17.4478 -11.9877 1.4529 TIMING: 1062600 CPU: 3363.75, 0.00320195/step Wall: 3363.75, 0.00320195/step, 3.50205 hours remaining, 238.050781 MB of memory in use. ENERGY: 1062600 4055.6636 20443.9147 14445.5272 258.1063 -202836.6771 2503.6267 0.0000 0.0000 52091.5730 -109038.2657 299.3710 -161129.8387 -108680.8826 299.6994 -182.4233 -158.2231 763317.6915 10.4026 10.4557 PRESSURE: 1062800 -175.216 -162.367 98.4248 -162.366 -171.59 180.502 98.4252 180.502 -355.469 GPRESSURE: 1062800 -162.266 -188.396 -37.9528 -153.824 -143.686 178.312 213.857 54.9167 -324.632 PRESSAVG: 1062800 -6.26154 -9.01938 26.2193 -9.01935 32.0417 48.3431 26.2194 48.3431 -5.6627 GPRESSAVG: 1062800 -6.79133 -8.52936 27.0991 -9.80351 32.0383 47.8704 26.8827 47.4123 -5.43932 TIMING: 1062800 CPU: 3364.39, 0.00320347/step Wall: 3364.39, 0.00320347/step, 3.50353 hours remaining, 238.050781 MB of memory in use. ENERGY: 1062800 3927.8976 20577.9531 14590.3948 252.8879 -202701.4638 2380.2010 0.0000 0.0000 51895.5616 -109076.5678 298.2445 -160972.1293 -108720.7351 299.9538 -234.0914 -210.1945 762209.8598 6.7058 6.6025 PRESSURE: 1063000 -284.163 116.946 -95.5573 116.945 -24.4324 41.656 -95.5575 41.6563 83.7193 GPRESSURE: 1063000 -307.076 -12.7758 -90.8964 86.6791 110.008 103.663 4.95308 -79.8385 51.4333 PRESSAVG: 1063000 8.85622 9.57362 -13.3597 9.57364 -12.214 -1.20837 -13.3598 -1.20844 11.138 GPRESSAVG: 1063000 7.47268 8.71156 -13.144 9.8919 -10.7485 -0.445249 -12.0139 -0.148725 10.4526 TIMING: 1063000 CPU: 3365.03, 0.00322452/step Wall: 3365.03, 0.00322452/step, 3.52637 hours remaining, 238.050781 MB of memory in use. ENERGY: 1063000 3997.6894 20517.8467 14540.2944 247.3154 -202749.5129 2204.1952 0.0000 0.0000 52094.3082 -109147.8636 299.3867 -161242.1718 -108774.1928 299.9389 -74.9586 -48.5449 760964.9769 2.5934 2.3923 PRESSURE: 1063200 116.391 -75.1525 28.0081 -75.1518 224.358 83.311 28.0073 83.3106 90.3217 GPRESSURE: 1063200 148.864 -78.1395 21.8148 -7.42529 178.354 -94.7939 -141.556 165.27 198.458 PRESSAVG: 1063200 -10.2682 -53.9511 -11.3583 -53.951 -8.85818 11.8909 -11.3584 11.891 -4.90926 GPRESSAVG: 1063200 -8.80456 -52.2485 -12.3304 -54.7382 -10.6026 10.9445 -16.6275 11.0201 -4.55982 TIMING: 1063200 CPU: 3365.67, 0.00319569/step Wall: 3365.67, 0.00319569/step, 3.49466 hours remaining, 238.050781 MB of memory in use. ENERGY: 1063200 4016.0339 20379.1273 14503.2738 253.2192 -202895.7077 2544.7049 0.0000 0.0000 52063.0315 -109136.3170 299.2070 -161199.3484 -108776.6735 299.6460 143.6902 175.2253 760510.9333 -8.0119 -7.9890 PRESSURE: 1063400 1.86932 -47.9744 -160.921 -47.9747 25.8615 -122.814 -160.921 -122.815 351.748 GPRESSURE: 1063400 193.778 -1.95575 -79.0972 13.4382 -71.4738 7.28321 -125.327 -63.2705 362.373 PRESSAVG: 1063400 4.11581 -21.539 23.2712 -21.539 19.1814 23.9382 23.2711 23.9382 19.4554 GPRESSAVG: 1063400 4.47055 -19.4231 21.8205 -20.7291 19.1981 24.8139 26.268 23.2814 19.3978 TIMING: 1063400 CPU: 3366.31, 0.00318378/step Wall: 3366.31, 0.00318378/step, 3.48146 hours remaining, 238.050781 MB of memory in use. ENERGY: 1063400 4009.0461 20302.2056 14567.6145 243.7983 -203040.4626 2606.3665 0.0000 0.0000 51980.5873 -109330.8443 298.7331 -161311.4316 -108961.4396 299.3407 126.4931 161.5592 764320.1283 14.2509 14.3555 PRESSURE: 1063600 -216.054 -312.635 66.9523 -312.635 74.0923 131.369 66.953 131.369 -203.981 GPRESSURE: 1063600 -280.5 -358.881 165.574 -317.875 190.868 158.785 -89.0152 71.3294 -169.027 PRESSAVG: 1063600 5.02814 10.9478 -4.67343 10.9478 20.3705 36.409 -4.67334 36.4091 -17.8928 GPRESSAVG: 1063600 3.46969 7.19152 -2.24666 11.304 21.6899 36.8899 -5.42232 36.4688 -17.744 TIMING: 1063600 CPU: 3366.95, 0.0031857/step Wall: 3366.95, 0.0031857/step, 3.48338 hours remaining, 238.050781 MB of memory in use. ENERGY: 1063600 4015.5679 20551.4443 14560.9112 261.4478 -203358.4884 2851.2906 0.0000 0.0000 51901.9277 -109215.8988 298.2811 -161117.8265 -108852.9869 298.9239 -115.3142 -86.2197 762053.7119 2.5020 2.4719 PRESSURE: 1063800 -196.56 -118.407 -63.9842 -118.406 128.796 57.5431 -63.9839 57.5422 406.378 GPRESSURE: 1063800 -145.762 -154.546 -143.245 -136.288 156.187 23.87 -14.3697 2.48242 383.39 PRESSAVG: 1063800 6.51672 -65.0047 -19.6333 -65.0047 -46.5554 14.1065 -19.6333 14.1065 -5.20392 GPRESSAVG: 1063800 6.98566 -63.5142 -19.9368 -65.9671 -47.4214 12.8118 -20.9631 14.268 -5.53203 TIMING: 1063800 CPU: 3367.59, 0.00321417/step Wall: 3367.59, 0.00321417/step, 3.51434 hours remaining, 238.050781 MB of memory in use. ENERGY: 1063800 3955.3803 20509.0568 14429.1394 257.6042 -203320.3606 2615.4418 0.0000 0.0000 52113.3024 -109440.4357 299.4959 -161553.7381 -109080.7745 299.2537 112.8712 131.2716 761176.4447 -15.0809 -15.3226 PRESSURE: 1064000 98.0296 -17.6566 18.7639 -17.6558 -337.17 -65.7097 18.7636 -65.7094 -195.536 GPRESSURE: 1064000 93.3552 4.95736 44.2329 113.662 -173.25 41.8729 -84.8182 -47.6205 -288.038 PRESSAVG: 1064000 -1.64054 -37.7955 -28.0198 -37.7954 -6.06373 69.0398 -28.0198 69.0397 -7.06899 GPRESSAVG: 1064000 -2.15824 -38.2431 -28.4305 -35.7449 -5.85877 70.2007 -26.4567 68.7058 -6.45396 TIMING: 1064000 CPU: 3368.23, 0.00319118/step Wall: 3368.23, 0.00319118/step, 3.48902 hours remaining, 238.050781 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: 1064000 3952.7910 20574.2514 14486.3582 217.6819 -203212.7245 2609.7616 0.0000 0.0000 52041.0763 -109330.8041 299.0808 -161371.8804 -108977.0493 299.2891 -144.8922 -122.6442 762576.8391 -4.9244 -4.8237 PRESSURE: 1064200 313.35 56.373 93.9347 56.3735 553.745 165.867 93.9348 165.867 -231.087 GPRESSURE: 1064200 413.521 118.173 197.85 -28.5624 499.09 204.217 44.6263 131.13 -192.874 PRESSAVG: 1064200 35.1244 -1.68983 -36.9265 -1.68981 -11.991 56.8048 -36.9266 56.8048 23.4161 GPRESSAVG: 1064200 36.5918 -1.51127 -36.2205 -2.67593 -11.6787 55.9221 -37.8039 58.3555 21.6151 TIMING: 1064200 CPU: 3368.87, 0.00322083/step Wall: 3368.87, 0.00322083/step, 3.52126 hours remaining, 238.050781 MB of memory in use. ENERGY: 1064200 3869.7396 20350.9535 14416.5751 274.1109 -203737.8152 2799.2492 0.0000 0.0000 52277.6523 -109749.5346 300.4404 -162027.1869 -109377.0636 299.2452 212.0026 239.9127 760009.7572 15.5165 15.5094 LDB: ============= START OF LOAD BALANCING ============== 3381.33 LDB: ============== END OF LOAD BALANCING =============== 3381.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3381.33 LDB: ============= START OF LOAD BALANCING ============== 3381.65 LDB: Largest compute 7033 load 0.035613 is 18.3% of average load 0.195131 LDB: Average compute 0.004403 is 2.3% of average load 0.195131 LDB: TIME 3381.65 LOAD: AVG 0.195131 MAX 0.216453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.828 MB LDB: TIME 3381.65 LOAD: AVG 0.195131 MAX 0.216453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.031 MB LDB: TIME 3381.65 LOAD: AVG 0.195131 MAX 0.216453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.031 MB LDB: ============== END OF LOAD BALANCING =============== 3381.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3381.66 PRESSURE: 1064400 200.006 32.0913 142.766 32.0908 42.2232 -74.3871 142.767 -74.3864 41.7992 GPRESSURE: 1064400 159.503 15.4987 98.2761 17.9158 89.9918 -117.121 58.1648 9.25105 102.428 PRESSAVG: 1064400 -3.47826 -32.3586 27.4942 -32.3587 16.5134 27.1776 27.4941 27.1776 -5.64136 GPRESSAVG: 1064400 -1.52751 -30.0828 26.028 -34.436 14.2364 27.3695 28.7212 25.1013 -5.8149 TIMING: 1064400 CPU: 3369.52, 0.00325804/step Wall: 3369.52, 0.00325804/step, 3.56176 hours remaining, 237.828125 MB of memory in use. ENERGY: 1064400 3991.8204 20539.3101 14455.0319 238.2645 -203458.3403 2663.2318 0.0000 0.0000 51887.3445 -109683.3371 298.1973 -161570.6816 -109329.8970 298.5528 94.6762 117.3075 760106.8232 2.4646 2.2980 PRESSURE: 1064600 -101.36 65.9556 -23.8993 65.9553 -247.662 -150.377 -23.9004 -150.378 216.51 GPRESSURE: 1064600 44.9896 53.6731 -32.4709 35.2424 -193.615 -171.606 -109.961 -112.451 113.969 PRESSAVG: 1064600 6.56036 -42.7155 62.6181 -42.7154 35.1618 46.6968 62.6181 46.6969 10.5032 GPRESSAVG: 1064600 4.14622 -44.343 64.2124 -41.1086 36.6895 45.8797 62.9962 46.5855 11.686 TIMING: 1064600 CPU: 3370.16, 0.00317909/step Wall: 3370.16, 0.00317909/step, 3.47527 hours remaining, 237.828125 MB of memory in use. ENERGY: 1064600 3938.5461 20383.6378 14512.7037 273.2915 -203273.5131 2552.6575 0.0000 0.0000 51955.9845 -109656.6920 298.5918 -161612.6765 -109302.6179 298.8689 -44.1705 -11.5523 761080.0382 17.4085 17.5072 PRESSURE: 1064800 243.683 -24.1337 203.001 -24.1332 8.34578 -215.182 203.002 -215.182 -319.147 GPRESSURE: 1064800 276.839 6.47262 322.8 -100.462 55.633 -148.578 75.3046 -341.479 -291.739 PRESSAVG: 1064800 -30.7568 -21.2383 44.2625 -21.2383 36.2166 -50.1992 44.2625 -50.1992 1.72976 GPRESSAVG: 1064800 -30.636 -22.0137 43.2853 -20.6206 36.442 -48.754 41.6836 -48.4255 0.679948 TIMING: 1064800 CPU: 3370.8, 0.00321483/step Wall: 3370.8, 0.00321483/step, 3.51416 hours remaining, 237.828125 MB of memory in use. ENERGY: 1064800 3982.3364 20306.4881 14398.1755 252.9662 -203402.1433 2676.2539 0.0000 0.0000 51996.0524 -109789.8708 298.8220 -161785.9232 -109435.7427 298.7545 -22.3728 13.5776 760630.5345 2.3965 2.1620 PRESSURE: 1065000 -145.495 31.3589 -85.4247 31.3584 -47.0645 238.46 -85.4247 238.46 -15.0555 GPRESSURE: 1065000 2.9955 -31.8913 -141.149 93.4493 -29.1802 295.498 12.1906 114.428 -101.215 PRESSAVG: 1065000 29.0343 -19.7218 -17.1444 -19.7218 -34.4349 61.0478 -17.1444 61.0477 -0.103891 GPRESSAVG: 1065000 28.5287 -19.159 -15.0181 -19.0426 -34.3922 60.4102 -15.3316 59.2163 0.730538 TIMING: 1065000 CPU: 3371.44, 0.00322074/step Wall: 3371.44, 0.00322074/step, 3.52044 hours remaining, 237.828125 MB of memory in use. ENERGY: 1065000 3941.9891 20473.5889 14440.0459 234.1427 -203365.1471 2688.6955 0.0000 0.0000 51810.1354 -109776.5495 297.7536 -161586.6849 -109416.1193 298.6452 -69.2051 -42.4667 760351.7650 -1.8349 -1.7110 PRESSURE: 1065200 339.499 123 102.455 123 426.027 60.2721 102.455 60.2713 73.1993 GPRESSURE: 1065200 479.186 133.898 90.8544 70.5555 372.767 40.3855 67.9225 145.887 57.4717 PRESSAVG: 1065200 47.8808 -18.8246 -34.2343 -18.8246 -44.444 35.9947 -34.2343 35.9947 -23.994 GPRESSAVG: 1065200 48.5741 -19.0891 -35.9406 -21.171 -45.3919 33.8866 -33.7567 38.5427 -23.6394 TIMING: 1065200 CPU: 3372.09, 0.00320082/step Wall: 3372.09, 0.00320082/step, 3.4985 hours remaining, 237.828125 MB of memory in use. ENERGY: 1065200 3918.2297 20417.3100 14389.1381 257.2703 -203444.7352 2608.0182 0.0000 0.0000 51978.1630 -109876.6058 298.7192 -161854.7689 -109520.0994 298.3544 279.5750 303.1417 761225.7980 -6.8524 -6.8191 PRESSURE: 1065400 -72.1549 -94.623 126.148 -94.6221 317.76 -122.324 126.147 -122.324 -5.91574 GPRESSURE: 1065400 97.1062 -91.6415 98.9137 -135.24 199.24 -144.174 182.029 -78.9026 1.81872 PRESSAVG: 1065400 -10.618 -13.5975 7.10074 -13.5975 1.00669 22.7057 7.10076 22.7056 15.085 GPRESSAVG: 1065400 -9.40716 -13.8926 6.52439 -13.3576 0.62782 24.8596 5.83172 21.9036 14.2765 TIMING: 1065400 CPU: 3372.73, 0.00320766/step Wall: 3372.73, 0.00320766/step, 3.5058 hours remaining, 237.828125 MB of memory in use. ENERGY: 1065400 3980.3677 20415.4328 14430.1426 248.5553 -203639.4888 2739.7306 0.0000 0.0000 51944.3366 -109880.9231 298.5248 -161825.2597 -109521.6768 298.3570 79.8966 99.3882 761856.5061 1.8246 1.8324 PRESSURE: 1065600 -217.483 98.7801 -362.329 98.7799 28.172 73.9384 -362.329 73.9389 25.0301 GPRESSURE: 1065600 -178.697 106.003 -247.173 210.589 44.835 -50.4408 -269.19 -24.0838 47.6295 PRESSAVG: 1065600 -31.5162 -42.5525 39.21 -42.5525 24.1022 -40.3729 39.21 -40.3728 -19.3236 GPRESSAVG: 1065600 -30.9825 -43.3895 40.257 -40.6323 25.056 -39.7395 40.3492 -41.0023 -20.2852 TIMING: 1065600 CPU: 3373.37, 0.00323244/step Wall: 3373.37, 0.00323244/step, 3.53269 hours remaining, 237.828125 MB of memory in use. ENERGY: 1065600 4052.3687 20207.7582 14481.2634 252.4272 -203455.5340 2645.7781 0.0000 0.0000 51980.1893 -109835.7489 298.7309 -161815.9383 -109467.1092 298.3223 -54.7602 -28.7443 761597.1643 -8.9125 -8.7373 PRESSURE: 1065800 68.2903 -152.158 -86.582 -152.16 -69.1349 -21.7971 -86.582 -21.7975 -46.5371 GPRESSURE: 1065800 -35.688 -100.217 -94.0442 -168.761 90.8581 -9.38508 -193.953 -24.8106 -22.442 PRESSAVG: 1065800 -28.6891 -53.5719 -56.4513 -53.5719 12.9873 -37.7298 -56.4512 -37.7298 -26.2455 GPRESSAVG: 1065800 -30.8997 -52.8817 -54.639 -52.2953 12.7385 -39.7278 -57.2763 -36.4647 -24.1873 TIMING: 1065800 CPU: 3374.02, 0.0032491/step Wall: 3374.02, 0.0032491/step, 3.55072 hours remaining, 237.828125 MB of memory in use. ENERGY: 1065800 3926.6444 20431.6044 14373.2222 233.9416 -203134.9560 2491.5299 0.0000 0.0000 51962.7063 -109715.3073 298.6304 -161678.0135 -109353.0299 298.7509 -15.7939 10.9093 761968.9620 -13.9824 -14.1162 PRESSURE: 1066000 -188.707 32.9999 -201.587 33.0002 -270.128 -100.956 -201.587 -100.956 46.0359 GPRESSURE: 1066000 -200.727 55.1659 -212.946 24.7271 -225.731 -49.7262 -141.778 -6.56763 80.9362 PRESSAVG: 1066000 0.418636 -8.13974 -19.4012 -8.13962 9.66532 21.9556 -19.4011 21.9555 22.6662 GPRESSAVG: 1066000 0.0104476 -8.93887 -20.197 -9.5998 10.6732 23.5027 -19.2007 20.1907 22.0509 TIMING: 1066000 CPU: 3374.66, 0.0032093/step Wall: 3374.66, 0.0032093/step, 3.50705 hours remaining, 237.828125 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: 1066000 3981.8674 20563.3225 14449.3981 245.4412 -203140.2956 2425.8002 0.0000 0.0000 51830.2636 -109644.2027 297.8692 -161474.4663 -109284.9027 298.4839 -137.5995 -115.1739 761294.6278 10.9167 10.9115 PRESSURE: 1066200 125.906 -128.219 -131.793 -128.219 234.331 19.8722 -131.794 19.8718 -238.67 GPRESSURE: 1066200 181.064 -60.6799 -175.195 -18.9159 200.837 -55.3426 -152.568 107.012 -163.231 PRESSAVG: 1066200 0.57153 -24.203 12.2578 -24.2029 -24.1526 -18.7032 12.2579 -18.7031 2.54603 GPRESSAVG: 1066200 0.894554 -23.73 10.9275 -26.5224 -23.47 -18.8619 12.9922 -19.65 1.35413 TIMING: 1066200 CPU: 3375.31, 0.00322238/step Wall: 3375.31, 0.00322238/step, 3.52116 hours remaining, 237.828125 MB of memory in use. ENERGY: 1066200 4057.6744 20437.3272 14413.2831 247.5439 -203319.2139 2569.4296 0.0000 0.0000 51906.2996 -109687.6561 298.3062 -161593.9557 -109336.6316 298.8797 40.5223 72.8898 760505.5719 -7.0117 -7.0738 PRESSURE: 1066400 -322.441 156.166 -36.7727 156.165 -46.361 -150.294 -36.7727 -150.294 151.915 GPRESSURE: 1066400 -208.019 124.897 -10.3331 43.778 -5.62117 -208.836 -71.3952 -99.4723 80.6729 PRESSAVG: 1066400 72.3382 -16.645 10.6278 -16.6451 -42.4353 45.7877 10.6278 45.7877 2.53264 GPRESSAVG: 1066400 74.113 -16.205 11.5801 -13.365 -43.952 45.7859 10.3338 45.7881 2.37358 TIMING: 1066400 CPU: 3375.96, 0.00324015/step Wall: 3375.96, 0.00324015/step, 3.5404 hours remaining, 237.828125 MB of memory in use. ENERGY: 1066400 3930.7505 20358.3958 14449.0325 238.7086 -203152.3058 2375.3132 0.0000 0.0000 52181.8949 -109618.2104 299.8901 -161800.1053 -109241.8766 298.8132 -72.2957 -44.3223 760926.6856 10.8119 10.8449 PRESSURE: 1066600 63.8371 45.8502 -52.8371 45.8505 -352.378 -138.738 -52.837 -138.738 69.2004 GPRESSURE: 1066600 38.4175 102.489 -105.407 -25.4457 -279.134 -68.5091 52.5965 -211.78 108.609 PRESSAVG: 1066600 3.90603 -60.887 -18.6625 -60.887 -14.1322 68.6549 -18.6624 68.6549 -15.0494 GPRESSAVG: 1066600 3.00512 -61.5458 -18.6313 -60.114 -14.0588 67.4561 -19.296 70.4494 -13.6611 TIMING: 1066600 CPU: 3376.61, 0.00324651/step Wall: 3376.61, 0.00324651/step, 3.54717 hours remaining, 237.828125 MB of memory in use. ENERGY: 1066600 3869.8469 20685.2425 14422.5714 238.7121 -203219.9927 2549.0751 0.0000 0.0000 51801.8338 -109652.7110 297.7059 -161454.5447 -109298.2289 298.5689 -73.1136 -44.0359 762071.7789 -8.4252 -8.2383 PRESSURE: 1066800 53.4894 -94.7929 -107.494 -94.7916 -104.471 59.6974 -107.494 59.6973 363.182 GPRESSURE: 1066800 160.471 8.36174 -181.244 -170.151 -80.583 32.5392 -88.5751 91.0194 311.601 PRESSAVG: 1066800 48.0643 -22.5864 10.6202 -22.5864 7.81901 66.042 10.6202 66.042 0.372498 GPRESSAVG: 1066800 47.0461 -21.2992 8.79812 -24.9785 8.5114 67.5458 11.5975 66.5337 0.423113 TIMING: 1066800 CPU: 3377.25, 0.00321229/step Wall: 3377.25, 0.00321229/step, 3.50961 hours remaining, 237.828125 MB of memory in use. ENERGY: 1066800 4051.3682 20231.7598 14454.4735 255.6869 -203903.8459 2828.8202 0.0000 0.0000 52316.6827 -109765.0546 300.6647 -162081.7373 -109398.6667 299.3790 104.0670 130.4963 759234.5623 18.7519 18.6602 PRESSURE: 1067000 -120.571 49.2761 35.3547 49.2759 170.13 -17.5985 35.3544 -17.5993 84.6184 GPRESSURE: 1067000 5.07287 58.9263 40.8895 140.514 87.0393 2.02997 -25.3024 7.55792 117.532 PRESSAVG: 1067000 17.0107 42.5316 12.6199 42.5317 -22.9633 17.133 12.6199 17.1331 18.8038 GPRESSAVG: 1067000 17.2121 41.3865 13.8265 44.6953 -23.275 17.6653 11.1725 15.0292 18.9113 TIMING: 1067000 CPU: 3377.89, 0.00320187/step Wall: 3377.89, 0.00320187/step, 3.49804 hours remaining, 237.828125 MB of memory in use. ENERGY: 1067000 4000.2784 20418.2140 14494.3253 240.4792 -203334.8889 2348.8609 0.0000 0.0000 52041.1391 -109791.5919 299.0811 -161832.7310 -109422.7929 298.9134 44.7260 69.8814 758216.0558 4.2837 4.2828 PRESSURE: 1067200 -385.406 51.4149 26.4424 51.4155 303.356 -11.0045 26.4415 -11.0043 75.2152 GPRESSURE: 1067200 -246.375 2.29349 -10.8032 1.31824 207.187 -63.7736 -41.2279 55.2142 107.754 PRESSAVG: 1067200 11.0598 55.4171 -33.0967 55.4171 29.9752 17.3983 -33.0966 17.3983 -5.78908 GPRESSAVG: 1067200 11.2473 55.1736 -34.7771 52.281 29.0506 15.7976 -32.3555 18.6488 -5.43003 TIMING: 1067200 CPU: 3378.53, 0.00321388/step Wall: 3378.53, 0.00321388/step, 3.51099 hours remaining, 237.828125 MB of memory in use. ENERGY: 1067200 4059.7685 20620.0810 14507.4888 256.2482 -203592.0048 2586.9122 0.0000 0.0000 51919.4582 -109642.0478 298.3818 -161561.5060 -109291.0403 299.3834 -2.2781 22.8553 759499.5510 11.7486 11.6226 PRESSURE: 1067400 486.717 -85.3536 -46.2886 -85.3542 -9.84495 -83.8356 -46.2886 -83.8365 -52.9363 GPRESSURE: 1067400 551.78 -79.3691 -1.66792 -76.3824 -8.67843 8.19175 -170.233 -161.438 -32.8006 PRESSAVG: 1067400 67.0511 -42.0105 -63.2439 -42.0105 -1.63438 16.4126 -63.2439 16.4126 -1.73513 GPRESSAVG: 1067400 67.6137 -42.1192 -61.564 -40.9381 -1.34403 18.5237 -64.8098 15.4319 -1.75344 TIMING: 1067400 CPU: 3379.17, 0.00320495/step Wall: 3379.17, 0.00320495/step, 3.50105 hours remaining, 237.828125 MB of memory in use. ENERGY: 1067400 3998.2602 20528.3790 14432.7659 238.8637 -203786.8977 2789.5283 0.0000 0.0000 52170.4041 -109628.6965 299.8240 -161799.1006 -109264.0717 299.0106 141.3119 170.1005 758560.2887 21.2272 21.5054 PRESSURE: 1067600 -235.935 196.023 113.149 196.022 -24.5234 -123.353 113.149 -123.354 -56.4779 GPRESSURE: 1067600 -210.388 208.472 187.409 225.107 77.0014 -62.6389 104.599 -150.12 -90.9193 PRESSAVG: 1067600 34.4756 -27.9535 -11.6477 -27.9535 -11.3559 -14.8495 -11.6477 -14.8494 -16.4326 GPRESSAVG: 1067600 35.928 -27.3115 -11.5986 -27.3515 -11.0577 -16.9566 -11.6031 -14.8182 -17.7816 TIMING: 1067600 CPU: 3379.81, 0.00318554/step Wall: 3379.81, 0.00318554/step, 3.47967 hours remaining, 237.828125 MB of memory in use. ENERGY: 1067600 4025.1198 20579.3727 14552.4921 243.8455 -203716.1917 2574.0331 0.0000 0.0000 51899.5300 -109841.7984 298.2673 -161741.3285 -109473.2607 298.9025 -105.6455 -74.7685 758769.9347 2.2290 2.3629 PRESSURE: 1067800 103.065 111.463 -111.089 111.463 -116.518 0.540342 -111.089 0.540197 113.548 GPRESSURE: 1067800 117.924 71.4101 -52.8259 7.99108 -72.6235 57.8885 -120.521 32.5922 134.453 PRESSAVG: 1067800 78.2253 -25.0617 15.5327 -25.0616 -49.9282 -11.347 15.5328 -11.3469 -15.7285 GPRESSAVG: 1067800 76.1968 -25.7482 14.3565 -24.1869 -50.9715 -10.3076 16.6714 -10.5063 -13.6632 TIMING: 1067800 CPU: 3380.45, 0.00321332/step Wall: 3380.45, 0.00321333/step, 3.50984 hours remaining, 237.828125 MB of memory in use. ENERGY: 1067800 3920.4622 20524.7451 14442.0767 253.5656 -203638.9359 2600.5942 0.0000 0.0000 52108.9489 -109788.5431 299.4708 -161897.4920 -109425.9358 298.8965 33.3652 59.9180 760813.2143 4.1895 3.8541 PRESSURE: 1068000 6.44089 123.526 19.7559 123.526 -145.916 -109.214 19.7556 -109.216 -342.878 GPRESSURE: 1068000 53.4085 61.2793 18.8451 -17.1049 -92.3622 -129.766 23.3999 -31.4437 -368.621 PRESSAVG: 1068000 46.7855 7.58346 12.0335 7.5835 -33.9517 51.3534 12.0335 51.3533 42.9334 GPRESSAVG: 1068000 46.1837 10.5567 14.3244 5.72373 -32.4956 51.5355 11.4187 52.0974 41.9128 TIMING: 1068000 CPU: 3381.09, 0.00319871/step Wall: 3381.09, 0.00319871/step, 3.4937 hours remaining, 237.828125 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: 1068000 3961.4189 20411.1209 14385.1382 241.4178 -203388.5869 2559.5903 0.0000 0.0000 52167.7374 -109662.1635 299.8087 -161829.9009 -109298.4220 299.3397 -160.7843 -135.8583 760909.9559 18.5891 18.5336 PRESSURE: 1068200 0.706741 17.0597 -33.1429 17.0599 -271.065 159.598 -33.1432 159.598 227.042 GPRESSURE: 1068200 7.57188 159.977 -21.0212 111.596 -188.455 152.02 35.4595 174.73 228.474 PRESSAVG: 1068200 -40.7781 13.7864 -2.23366 13.7864 26.1802 29.4514 -2.23363 29.4514 -4.24001 GPRESSAVG: 1068200 -40.2805 12.0318 -4.55619 15.218 24.8334 29.4836 -1.82902 27.6755 -3.92682 TIMING: 1068200 CPU: 3381.73, 0.00318747/step Wall: 3381.73, 0.00318747/step, 3.48125 hours remaining, 237.828125 MB of memory in use. ENERGY: 1068200 3955.9813 20463.6859 14429.2924 236.1357 -203539.1843 2673.6318 0.0000 0.0000 52154.6877 -109625.7694 299.7337 -161780.4571 -109265.8613 299.4122 -14.4387 15.8634 759682.3224 -6.2793 -6.4580 LDB: ============= START OF LOAD BALANCING ============== 3394.19 LDB: ============== END OF LOAD BALANCING =============== 3394.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.19 LDB: ============= START OF LOAD BALANCING ============== 3394.51 LDB: Largest compute 7032 load 0.036363 is 18.6% of average load 0.195189 LDB: Average compute 0.004419 is 2.3% of average load 0.195189 LDB: TIME 3394.51 LOAD: AVG 0.195189 MAX 0.222669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.859 MB LDB: TIME 3394.51 LOAD: AVG 0.195189 MAX 0.222669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: TIME 3394.51 LOAD: AVG 0.195189 MAX 0.21704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.926 MB LDB: ============== END OF LOAD BALANCING =============== 3394.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3394.52 PRESSURE: 1068400 103.081 -72.9245 -146.099 -72.9238 51.7635 -49.9419 -146.099 -49.9425 65.5926 GPRESSURE: 1068400 134.415 -89.1265 -309.882 -88.9397 51.1013 63.516 -54.9024 -86.7711 109.944 PRESSAVG: 1068400 2.5508 -4.75516 40.4864 -4.75515 -9.48271 11.6649 40.4865 11.665 -4.77153 GPRESSAVG: 1068400 2.59966 -5.28102 42.2349 -4.08538 -8.78254 10.9462 40.6124 12.4365 -5.7174 TIMING: 1068400 CPU: 3382.38, 0.00327124/step Wall: 3382.38, 0.00327125/step, 3.57256 hours remaining, 238.085938 MB of memory in use. ENERGY: 1068400 3942.3235 20588.4582 14459.5214 251.5668 -203502.7040 2551.0993 0.0000 0.0000 52135.8771 -109573.8575 299.6256 -161709.7347 -109206.0518 298.7263 73.4790 98.4867 758992.6453 -3.9011 -3.9668 PRESSURE: 1068600 129.338 -200.998 -172.543 -200.998 -61.3778 -84.0307 -172.543 -84.0298 29.0172 GPRESSURE: 1068600 158.318 -225.942 -116.083 -150.7 18.8086 -89.6437 -224.89 -201.043 3.60078 PRESSAVG: 1068600 17.5906 -5.47569 -20.8936 -5.47567 -1.47669 -46.9641 -20.8936 -46.964 -17.1794 GPRESSAVG: 1068600 17.8697 -4.75114 -20.8476 -6.04433 -3.17557 -46.0592 -22.819 -45.9748 -16.4996 TIMING: 1068600 CPU: 3383.02, 0.00317545/step Wall: 3383.02, 0.00317545/step, 3.46777 hours remaining, 238.085938 MB of memory in use. ENERGY: 1068600 3946.9930 20586.4053 14494.5516 265.4670 -203422.2957 2632.5746 0.0000 0.0000 51794.4389 -109701.8653 297.6634 -161496.3042 -109341.9047 298.8712 32.3257 60.2423 759158.1945 -0.3551 -0.6018 PRESSURE: 1068800 -194.435 154.258 142.035 154.258 -57.314 358.546 142.036 358.546 -33.2582 GPRESSURE: 1068800 -140.348 59.9266 137.14 237.903 -56.4848 401.426 124.437 182.475 1.75237 PRESSAVG: 1068800 5.65075 -61.9459 -27.0915 -61.9459 4.05612 53.8749 -27.0915 53.8748 11.9066 GPRESSAVG: 1068800 5.49832 -63.5256 -27.2694 -60.9673 5.47804 51.7764 -24.8005 52.2557 11.6096 TIMING: 1068800 CPU: 3383.65, 0.00316624/step Wall: 3383.65, 0.00316624/step, 3.45753 hours remaining, 238.085938 MB of memory in use. ENERGY: 1068800 4022.0905 20582.9118 14554.5405 238.2968 -203224.3800 2402.8951 0.0000 0.0000 51796.5880 -109627.0573 297.6757 -161423.6453 -109267.0665 298.8716 -95.0024 -65.0269 761930.2154 7.2045 7.5287 PRESSURE: 1069000 282.654 118.114 -24.3363 118.114 -226.429 193.216 -24.3369 193.217 -399.704 GPRESSURE: 1069000 216.3 100.423 31.4811 89.1967 -184.764 275.04 -59.3654 123.198 -312.784 PRESSAVG: 1069000 7.45197 11.0567 29.5416 11.0566 -31.1801 63.6994 29.5416 63.6994 17.1098 GPRESSAVG: 1069000 5.95226 11.7101 28.4015 9.69332 -30.5373 64.603 27.803 63.5484 17.5947 TIMING: 1069000 CPU: 3384.29, 0.00318512/step Wall: 3384.29, 0.00318512/step, 3.47798 hours remaining, 238.085938 MB of memory in use. ENERGY: 1069000 4007.5533 20475.0454 14515.7300 230.7559 -203175.0535 2387.2466 0.0000 0.0000 51804.6852 -109754.0371 297.7222 -161558.7223 -109406.0292 298.1219 -114.4929 -93.7493 761944.6632 -2.2061 -2.3301 PRESSURE: 1069200 117.727 -3.7324 26.4409 -3.73224 -290.14 -137.215 26.4407 -137.214 -264.718 GPRESSURE: 1069200 192.298 41.8716 1.15641 -30.5749 -292.043 -197.502 -17.4597 -115.191 -274.155 PRESSAVG: 1069200 23.1736 -77.3024 -31.6567 -77.3024 -71.2188 25.7168 -31.6568 25.7168 1.86737 GPRESSAVG: 1069200 23.3392 -77.1124 -29.4606 -77.1072 -71.0972 25.5791 -33.9346 26.7494 1.35072 TIMING: 1069200 CPU: 3384.93, 0.00317886/step Wall: 3384.93, 0.00317886/step, 3.47096 hours remaining, 238.085938 MB of memory in use. ENERGY: 1069200 3923.9796 20442.0734 14523.5330 268.0064 -203627.8013 2645.9691 0.0000 0.0000 52020.1908 -109804.0490 298.9608 -161824.2398 -109437.0684 298.7522 -145.7107 -124.6334 760345.1066 -15.3926 -15.4691 PRESSURE: 1069400 71.2793 40.52 98.0628 40.5202 -64.5348 81.1556 98.0632 81.1558 43.341 GPRESSURE: 1069400 173.488 17.0256 127.787 19.4563 -61.4098 33.3824 179.371 -50.1217 -0.980675 PRESSAVG: 1069400 46.372 -40.922 -18.7122 -40.9221 -4.52292 -60.3753 -18.7121 -60.3753 4.7355 GPRESSAVG: 1069400 47.1956 -39.3625 -19.753 -42.2516 -4.28198 -60.1739 -16.0336 -59.5929 3.85842 TIMING: 1069400 CPU: 3385.56, 0.00317777/step Wall: 3385.56, 0.00317777/step, 3.4696 hours remaining, 238.085938 MB of memory in use. ENERGY: 1069400 3959.6762 20560.3966 14481.2531 233.1900 -203589.3670 2563.5919 0.0000 0.0000 51901.2703 -109889.9888 298.2773 -161791.2591 -109519.4279 298.3576 16.6952 37.0326 759843.8118 15.5282 15.5907 PRESSURE: 1069600 -418.711 188.117 202.107 188.117 113.478 204.937 202.107 204.939 -290.34 GPRESSURE: 1069600 -327.144 246.527 193.106 144.604 117.705 213.257 265.022 248.033 -309.897 PRESSAVG: 1069600 -18.303 5.14891 -21.3307 5.14891 26.6368 -3.10219 -21.3307 -3.10224 -8.80267 GPRESSAVG: 1069600 -17.4383 4.36649 -20.8154 5.80278 24.7879 -2.53367 -22.4606 -5.0052 -7.9139 TIMING: 1069600 CPU: 3386.19, 0.00316643/step Wall: 3386.19, 0.00316643/step, 3.45704 hours remaining, 238.085938 MB of memory in use. ENERGY: 1069600 3985.6816 20557.3780 14530.1080 252.2004 -203486.6802 2506.9841 0.0000 0.0000 51748.9880 -109905.3401 297.4021 -161654.3281 -109546.5659 298.1718 -198.5242 -173.1119 757770.9421 -0.1563 -0.1881 PRESSURE: 1069800 -459.203 45.4993 -49.0705 45.4996 -34.1781 -240.486 -49.0711 -240.485 -143.015 GPRESSURE: 1069800 -354.586 39.5438 -110.602 85.1641 -54.6913 -213.933 -66.0053 -110.292 -147.92 PRESSAVG: 1069800 47.8937 -41.2308 10.0941 -41.2308 -36.9044 -2.84527 10.0941 -2.84521 -6.62562 GPRESSAVG: 1069800 46.6419 -42.793 7.48244 -39.5214 -35.4221 -2.46352 12.5906 -3.33548 -6.7158 TIMING: 1069800 CPU: 3386.83, 0.0031659/step Wall: 3386.83, 0.0031659/step, 3.45629 hours remaining, 238.085938 MB of memory in use. ENERGY: 1069800 3977.2399 20556.4436 14493.1346 283.0507 -203362.3414 2370.1343 0.0000 0.0000 51838.5986 -109843.7397 297.9171 -161682.3383 -109495.6076 298.5802 -212.1321 -185.7323 759769.2576 1.4546 1.5013 PRESSURE: 1070000 147.489 32.6937 345.549 32.6934 322.969 27.859 345.549 27.8591 327.999 GPRESSURE: 1070000 252.137 26.9293 301.741 110.178 319.456 -74.6599 326.269 -36.8858 315.531 PRESSAVG: 1070000 -12.0776 -15.7956 -42.6619 -15.7956 -45.3254 -9.5594 -42.6618 -9.5594 18.9381 GPRESSAVG: 1070000 -12.4566 -13.9768 -42.3282 -15.2078 -45.7321 -9.73627 -42.5107 -9.01212 19.7771 TIMING: 1070000 CPU: 3387.46, 0.00316178/step Wall: 3387.46, 0.00316178/step, 3.45161 hours remaining, 238.085938 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: 1070000 4002.7859 20449.9169 14522.2272 237.1297 -203385.7062 2467.0964 0.0000 0.0000 51982.6280 -109723.9221 298.7449 -161706.5501 -109362.1097 298.4160 266.1525 295.7079 759530.4391 -12.8217 -12.8039 PRESSURE: 1070200 98.1342 253.409 150.04 253.41 -98.7454 -192.747 150.039 -192.747 -220.26 GPRESSURE: 1070200 101.431 183.436 113.466 105.923 48.7821 -208.321 85.6619 -219.879 -302.158 PRESSAVG: 1070200 16.4845 17.4694 19.0427 17.4693 -25.1385 -7.46712 19.0427 -7.46711 14.9919 GPRESSAVG: 1070200 16.8904 16.1513 20.1749 13.675 -25.2511 -8.19846 16.1758 -6.31457 13.8229 TIMING: 1070200 CPU: 3388.1, 0.00317893/step Wall: 3388.1, 0.00317893/step, 3.47015 hours remaining, 238.085938 MB of memory in use. ENERGY: 1070200 3914.6872 20537.8118 14566.6036 246.3625 -203484.1594 2791.6669 0.0000 0.0000 51938.3922 -109488.6352 298.4907 -161427.0273 -109120.7187 299.1391 -73.6237 -50.6484 760332.3048 2.1126 1.8207 PRESSURE: 1070400 -279.25 95.8789 8.09034 95.8782 137.382 132.061 8.09052 132.06 264.525 GPRESSURE: 1070400 -260.753 -9.05412 4.9051 215.541 204.062 109.501 42.8721 44.7025 280.908 PRESSAVG: 1070400 -27.3453 11.8809 -3.53751 11.8809 33.7734 -9.23625 -3.53753 -9.23617 2.63636 GPRESSAVG: 1070400 -28.2839 12.6112 -2.9374 12.8209 34.1994 -9.02528 -3.05212 -10.1819 2.88721 TIMING: 1070400 CPU: 3388.74, 0.00320337/step Wall: 3388.74, 0.00320337/step, 3.49665 hours remaining, 238.085938 MB of memory in use. ENERGY: 1070400 3942.7929 20584.9241 14533.0816 243.3926 -203403.6790 2528.1543 0.0000 0.0000 51998.6269 -109572.7066 298.8368 -161571.3335 -109208.0788 298.9986 40.8856 74.7392 759732.1455 3.0215 2.9342 PRESSURE: 1070600 111.393 116.296 -68.4242 116.296 -133.474 149.514 -68.4242 149.514 -252.047 GPRESSURE: 1070600 67.4497 234.411 75.6971 -58.3203 -17.8515 172.342 -86.0393 -59.5621 -242.951 PRESSAVG: 1070600 -38.0221 -9.84777 -21.1475 -9.84782 51.5515 -15.7149 -21.1476 -15.7149 4.14718 GPRESSAVG: 1070600 -37.467 -11.1236 -23.4042 -7.52793 50.6948 -15.7417 -19.7487 -16.4002 4.45204 TIMING: 1070600 CPU: 3389.37, 0.00316051/step Wall: 3389.37, 0.00316051/step, 3.44969 hours remaining, 238.085938 MB of memory in use. ENERGY: 1070600 3945.1912 20642.0257 14477.0122 244.9818 -203378.1813 2640.5271 0.0000 0.0000 51768.3820 -109660.0614 297.5136 -161428.4433 -109299.3235 298.0999 -91.3759 -64.4509 760614.9872 5.8922 5.8933 PRESSURE: 1070800 337.571 -100.273 18.7634 -100.273 83.8523 18.1435 18.7637 18.1439 -193.029 GPRESSURE: 1070800 347.074 -134.466 -24.0637 -141.364 120.151 11.9954 36.0586 46.5965 -146.717 PRESSAVG: 1070800 35.8751 -14.7269 11.7268 -14.7269 -31.6363 -13.9581 11.7268 -13.9581 -9.85059 GPRESSAVG: 1070800 36.3092 -16.3908 13.3037 -13.9016 -30.3809 -13.8096 11.2354 -13.9982 -11.2838 TIMING: 1070800 CPU: 3390, 0.00316593/step Wall: 3390, 0.00316593/step, 3.45543 hours remaining, 238.085938 MB of memory in use. ENERGY: 1070800 4003.3815 20398.0894 14423.7320 236.8376 -203248.5326 2631.6265 0.0000 0.0000 51982.5229 -109572.3427 298.7443 -161554.8656 -109208.5842 298.4279 76.1317 106.8359 760595.7144 -1.8706 -1.7852 PRESSURE: 1071000 -391.235 -113.548 -13.5743 -113.548 -386.527 -30.071 -13.5745 -30.0706 -85.3071 GPRESSURE: 1071000 -350.278 -114.514 -110.596 -173.751 -403.726 9.36624 -104.059 -13.7932 -40.2352 PRESSAVG: 1071000 -0.82057 -18.7122 -25.494 -18.7122 -7.63897 19.6664 -25.494 19.6662 24.2547 GPRESSAVG: 1071000 -1.13414 -15.8738 -24.8817 -21.0804 -8.37657 21.3681 -25.8429 20.9408 25.3953 TIMING: 1071000 CPU: 3390.64, 0.00318323/step Wall: 3390.64, 0.00318323/step, 3.47415 hours remaining, 238.085938 MB of memory in use. ENERGY: 1071000 3982.2885 20452.6933 14528.4887 256.7735 -203213.9334 2279.3260 0.0000 0.0000 52003.5314 -109710.8321 298.8650 -161714.3635 -109334.5882 298.7780 -287.6895 -264.7464 760439.0941 5.2651 5.2949 PRESSURE: 1071200 -306.171 -223.418 -180.433 -223.418 -48.4768 -246.435 -180.434 -246.434 137.799 GPRESSURE: 1071200 -263.257 -227.228 -218.072 -105.601 -64.6059 -258.905 -109.19 -209.813 191.979 PRESSAVG: 1071200 6.44351 -42.95 -65.3531 -42.9499 -11.0689 11.3524 -65.3531 11.3524 -28.6225 GPRESSAVG: 1071200 7.05726 -44.5293 -65.9028 -40.9837 -11.5914 11.5257 -64.2258 12.7906 -28.7367 TIMING: 1071200 CPU: 3391.28, 0.0031886/step Wall: 3391.28, 0.0031886/step, 3.47982 hours remaining, 238.085938 MB of memory in use. ENERGY: 1071200 4006.4530 20429.0922 14485.3040 252.0789 -203171.7470 2378.8014 0.0000 0.0000 52016.3005 -109603.7171 298.9384 -161620.0176 -109239.9294 298.7682 -72.2830 -45.2947 761892.9814 -11.0826 -11.0903 PRESSURE: 1071400 -129.791 -251.637 -112.674 -251.636 -52.1748 227.776 -112.674 227.776 104.778 GPRESSURE: 1071400 -125.515 -138.396 -77.7807 -282.061 62.5344 205.967 -192.63 151.462 54.8187 PRESSAVG: 1071400 -40.2733 -51.5111 -53.368 -51.5111 13.9509 -19.8557 -53.3679 -19.8557 26.1058 GPRESSAVG: 1071400 -40.4594 -49.5058 -51.3744 -53.0678 15.0512 -20.8911 -54.9062 -22.4106 26.1792 TIMING: 1071400 CPU: 3391.91, 0.00318271/step Wall: 3391.91, 0.00318271/step, 3.47322 hours remaining, 238.085938 MB of memory in use. ENERGY: 1071400 3951.3776 20557.3363 14426.0972 245.1269 -203484.0342 2795.6079 0.0000 0.0000 51961.9409 -109546.5475 298.6260 -161508.4884 -109181.0962 298.9840 -25.7295 -2.7208 761754.4995 -0.0722 0.2570 PRESSURE: 1071600 -116.713 128.811 -13.2595 128.811 -15.6171 107.285 -13.2587 107.286 -261.197 GPRESSURE: 1071600 -89.4144 24.0154 -45.8335 87.1141 -28.6359 120.194 -159.739 40.6324 -196.463 PRESSAVG: 1071600 10.4207 3.28087 -75.5736 3.28089 -37.7461 -49.5246 -75.5736 -49.5247 25.9674 GPRESSAVG: 1071600 10.7779 2.40995 -75.1818 3.76065 -38.0885 -48.6561 -74.9618 -48.3267 26.2563 TIMING: 1071600 CPU: 3392.55, 0.00317796/step Wall: 3392.55, 0.00317796/step, 3.46786 hours remaining, 238.085938 MB of memory in use. ENERGY: 1071600 4025.7102 20665.9671 14474.4345 263.5293 -203504.4736 2709.9348 0.0000 0.0000 51737.3048 -109627.5929 297.3350 -161364.8977 -109263.4024 298.8786 -131.1758 -104.8378 760835.3170 -0.4527 -0.3514 PRESSURE: 1071800 -24.418 -278.78 45.773 -278.78 -339.579 -125.877 45.7724 -125.877 -325.17 GPRESSURE: 1071800 0.399386 -217.679 -2.0278 -203.465 -299.686 -203.338 19.1512 -21.6466 -305.341 PRESSAVG: 1071800 -27.71 -32.9931 -3.40307 -32.9931 17.6004 61.7816 -3.40313 61.7816 21.8927 GPRESSAVG: 1071800 -27.0617 -31.8707 -6.77939 -33.0729 17.1099 60.2611 -5.54456 61.5585 21.8705 TIMING: 1071800 CPU: 3393.18, 0.00318209/step Wall: 3393.18, 0.00318209/step, 3.47219 hours remaining, 238.085938 MB of memory in use. ENERGY: 1071800 3991.6316 20419.2681 14511.6848 260.9907 -203157.6353 2403.4053 0.0000 0.0000 52119.1267 -109451.5281 299.5293 -161570.6548 -109090.0644 298.7088 -229.7222 -201.5426 760759.6539 3.9277 3.9729 PRESSURE: 1072000 -191.111 86.39 64.5087 86.39 -147.223 26.0576 64.5092 26.0572 -97.3716 GPRESSURE: 1072000 -156.491 15.8422 115.232 126.734 -152.098 124.27 118.288 -29.4331 -55.9653 PRESSAVG: 1072000 -40.7575 34.1524 -8.49916 34.1524 -0.671895 15.9422 -8.49919 15.9423 6.80302 GPRESSAVG: 1072000 -40.0019 34.5165 -6.6812 33.8148 -1.08243 17.6687 -6.86216 13.635 6.1374 TIMING: 1072000 CPU: 3393.82, 0.00319276/step Wall: 3393.82, 0.00319276/step, 3.48366 hours remaining, 238.085938 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: 1072000 4060.3294 20548.1275 14574.9314 244.9126 -203637.4103 2599.7021 0.0000 0.0000 52040.3330 -109569.0743 299.0765 -161609.4072 -109206.4284 299.1324 -145.2353 -121.5181 760599.9498 -11.5421 -11.6490 PRESSURE: 1072200 -105.685 -116.772 -232.994 -116.771 34.5081 -93.9923 -232.993 -93.9923 152.986 GPRESSURE: 1072200 -35.5453 -90.4939 -237.311 -49.8571 62.0672 -114.385 -177.585 -103.579 133.728 PRESSAVG: 1072200 -2.53719 -45.7713 -42.8948 -45.7714 8.72094 -43.582 -42.8948 -43.5821 7.77754 GPRESSAVG: 1072200 -1.15956 -47.2486 -43.3889 -45.4273 7.30831 -45.3488 -43.649 -41.6131 7.61863 TIMING: 1072200 CPU: 3394.46, 0.00317223/step Wall: 3394.46, 0.00317223/step, 3.46108 hours remaining, 238.085938 MB of memory in use. ENERGY: 1072200 3957.8752 20404.1667 14502.3672 252.2290 -203396.0887 2431.1320 0.0000 0.0000 52069.3492 -109778.9695 299.2433 -161848.3186 -109421.0348 298.6619 27.2698 53.4167 760947.1117 4.6538 4.5891 LDB: ============= START OF LOAD BALANCING ============== 3406.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3406.91 LDB: =============== DONE WITH MIGRATION ================ 3406.91 LDB: ============= START OF LOAD BALANCING ============== 3407.23 LDB: Largest compute 7068 load 0.038298 is 19.6% of average load 0.195144 LDB: Average compute 0.004409 is 2.3% of average load 0.195144 LDB: TIME 3407.24 LOAD: AVG 0.195144 MAX 0.212129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.883 MB LDB: TIME 3407.24 LOAD: AVG 0.195144 MAX 0.212129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.977 MB LDB: TIME 3407.24 LOAD: AVG 0.195144 MAX 0.212129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.977 MB LDB: ============== END OF LOAD BALANCING =============== 3407.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3407.25 PRESSURE: 1072400 10.0791 176.17 46.8373 176.169 -87.2054 -22.1262 46.8379 -22.1277 -167.385 GPRESSURE: 1072400 66.3898 188.336 -12.4397 84.8414 8.63911 -29.1979 67.2518 37.547 -234.456 PRESSAVG: 1072400 1.40822 8.50738 -27.0984 8.50731 17.8055 40.6032 -27.0984 40.6033 -9.88442 GPRESSAVG: 1072400 -0.0295843 9.24802 -26.0563 7.50659 19.7266 40.4355 -26.0302 40.9542 -9.4532 TIMING: 1072400 CPU: 3395.11, 0.00326162/step Wall: 3395.11, 0.00326162/step, 3.55843 hours remaining, 237.167969 MB of memory in use. ENERGY: 1072400 3843.3619 20414.6131 14559.1017 228.5837 -203210.1189 2326.6851 0.0000 0.0000 51826.6758 -110011.0975 297.8486 -161837.7733 -109648.0388 298.1089 -81.5037 -53.1424 761439.0256 3.1098 3.4146 PRESSURE: 1072600 133.044 -105.826 21.1379 -105.825 26.0449 147.373 21.1369 147.371 -24.1488 GPRESSURE: 1072600 229.544 -226.986 38.3374 -104.181 34.2924 143.191 -108.622 92.2031 -28.0391 PRESSAVG: 1072600 16.3406 -15.8683 -61.7858 -15.8682 13.1524 -5.22801 -61.7858 -5.22797 7.26585 GPRESSAVG: 1072600 18.0969 -16.5179 -63.4012 -14.0774 12.0302 -3.71508 -61.2595 -7.17919 6.55847 TIMING: 1072600 CPU: 3395.75, 0.003191/step Wall: 3395.75, 0.003191/step, 3.48121 hours remaining, 237.460938 MB of memory in use. ENERGY: 1072600 3944.8574 20368.7857 14530.7332 248.2278 -204010.9000 2857.4485 0.0000 0.0000 51908.1973 -110152.6499 298.3171 -162060.8472 -109797.7707 297.6102 44.9802 78.5991 760258.8785 12.2530 12.2285 PRESSURE: 1072800 -9.96566 -26.971 114.105 -26.9713 -97.9868 -85.3751 114.104 -85.376 128.97 GPRESSURE: 1072800 -5.27487 -53.5759 53.3907 -1.08057 1.05166 -20.662 112.405 -122.535 116.219 PRESSAVG: 1072800 -22.2994 -12.0965 -33.4064 -12.0965 -8.16387 -11.5467 -33.4064 -11.5468 -6.85743 GPRESSAVG: 1072800 -25.5174 -11.974 -31.999 -13.1746 -6.32694 -11.4418 -33.1911 -11.0373 -5.72098 TIMING: 1072800 CPU: 3396.38, 0.00315734/step Wall: 3396.38, 0.00315734/step, 3.44431 hours remaining, 237.460938 MB of memory in use. ENERGY: 1072800 3925.8183 20318.0934 14492.6541 258.9587 -203851.0089 2877.5764 0.0000 0.0000 51965.6219 -110012.2861 298.6471 -161977.9080 -109651.0056 298.1923 7.0058 37.3318 760814.8955 -12.4402 -12.5218 PRESSURE: 1073000 -361.081 -106.194 259.888 -106.194 -280.257 -5.38052 259.889 -5.38055 241.93 GPRESSURE: 1073000 -301.485 -65.8025 264.641 -37.203 -299.986 -3.8757 276.354 52.2671 274.02 PRESSAVG: 1073000 30.0981 32.1179 -15.4194 32.1178 -89.0525 -5.60956 -15.4194 -5.60958 3.73643 GPRESSAVG: 1073000 31.6937 31.1427 -16.4315 32.6717 -89.1823 -7.38853 -16.1067 -3.6566 2.64006 TIMING: 1073000 CPU: 3397.01, 0.00316944/step Wall: 3397.01, 0.00316944/step, 3.45734 hours remaining, 237.460938 MB of memory in use. ENERGY: 1073000 4018.1563 20429.5053 14511.0137 253.3884 -203451.8031 2566.9399 0.0000 0.0000 51912.0972 -109760.7022 298.3395 -161672.7994 -109406.7144 298.3079 -133.1360 -109.1502 762659.9422 -18.4060 -18.2829 PRESSURE: 1073200 -430.033 126.448 143.632 126.448 55.2984 -50.2725 143.631 -50.2721 161.689 GPRESSURE: 1073200 -332.961 149.26 145.111 203.168 6.8848 -60.7635 76.9794 -70.4233 186.143 PRESSAVG: 1073200 27.969 -5.49336 18.0912 -5.4934 -36.2858 40.1671 18.0912 40.167 1.64914 GPRESSAVG: 1073200 28.7661 -4.35813 18.8792 -6.18833 -37.2138 40.7642 17.9376 37.9481 1.74806 TIMING: 1073200 CPU: 3397.64, 0.00315429/step Wall: 3397.64, 0.00315429/step, 3.44063 hours remaining, 237.460938 MB of memory in use. ENERGY: 1073200 4035.7446 20475.5408 14559.1016 253.1209 -203418.9159 2508.1865 0.0000 0.0000 51759.7067 -109827.5147 297.4637 -161587.2215 -109472.6943 298.4083 -71.0152 -46.6444 760149.9989 -2.2226 -2.2332 PRESSURE: 1073400 1.58192 -171.893 -56.4881 -171.895 -23.761 -189.441 -56.4878 -189.44 -105.961 GPRESSURE: 1073400 12.6465 -115.584 -159.505 -239.145 -27.0975 -157.323 57.73 -85.5001 -41.6059 PRESSAVG: 1073400 -5.73064 26.9295 51.7551 26.9295 -17.1086 -44.0215 51.7551 -44.0215 -20.4495 GPRESSAVG: 1073400 -5.75861 28.4256 50.6379 26.2223 -17.5415 -44.5819 52.3427 -41.3609 -19.8892 TIMING: 1073400 CPU: 3398.28, 0.00316936/step Wall: 3398.28, 0.00316936/step, 3.45689 hours remaining, 237.460938 MB of memory in use. ENERGY: 1073400 3988.9304 20619.7326 14526.2865 241.3677 -203558.2110 2567.3815 0.0000 0.0000 51961.4180 -109653.0943 298.6230 -161614.5123 -109290.4504 298.5470 -42.7133 -18.6856 761638.8633 -14.4296 -14.3964 PRESSURE: 1073600 -106.963 -193.95 -177.1 -193.951 -285.587 -202.459 -177.102 -202.459 -33.506 GPRESSURE: 1073600 -36.0483 -129.879 -181.897 -214.06 -285.709 -176.583 -147.602 -22.1942 -45.5274 PRESSAVG: 1073600 0.235051 3.67217 22.6714 3.67219 -13.0634 -22.9388 22.6714 -22.9388 10.1865 GPRESSAVG: 1073600 -0.692996 1.95943 22.6201 4.64802 -13.6994 -22.1604 23.611 -23.8168 11.3316 TIMING: 1073600 CPU: 3398.91, 0.00317576/step Wall: 3398.91, 0.00317576/step, 3.4637 hours remaining, 237.664062 MB of memory in use. ENERGY: 1073600 4057.1560 20476.1108 14433.5036 231.9359 -203045.8121 2283.5975 0.0000 0.0000 52005.3376 -109558.1707 298.8754 -161563.5083 -109198.0443 298.6246 -142.0186 -122.4282 760948.8038 -0.8806 -1.0203 PRESSURE: 1073800 -194.698 -141.031 -113.368 -141.032 142.012 234.515 -113.368 234.514 -115.754 GPRESSURE: 1073800 -153.557 -48.6232 -97.1115 -57.7737 245.655 158.297 -114.883 247.284 -193.766 PRESSAVG: 1073800 -31.0498 5.22591 -20.7159 5.22586 11.3703 -23.7042 -20.7159 -23.7042 -29.8941 GPRESSAVG: 1073800 -31.9331 4.70942 -19.7809 5.33085 12.948 -24.731 -19.0771 -23.1987 -31.1359 TIMING: 1073800 CPU: 3399.56, 0.00321813/step Wall: 3399.56, 0.00321813/step, 3.50973 hours remaining, 237.664062 MB of memory in use. ENERGY: 1073800 3967.4297 20548.5846 14570.3533 247.7407 -203304.8569 2394.0413 0.0000 0.0000 52114.5195 -109462.1876 299.5029 -161576.7071 -109117.9849 299.1017 -56.1467 -33.8895 760874.5454 -16.5245 -16.7070 PRESSURE: 1074000 124.414 10.2972 118.199 10.297 61.3134 232.79 118.199 232.789 377.98 GPRESSURE: 1074000 250.814 25.1481 85.2407 -43.9268 118.388 273.364 97.3677 256.227 300.4 PRESSAVG: 1074000 -14.1694 -4.92355 -39.8831 -4.9235 -11.4503 -6.21007 -39.883 -6.20998 20.2877 GPRESSAVG: 1074000 -13.5018 -5.25356 -39.74 -5.42845 -12.0052 -5.58621 -42.4327 -7.90446 19.8953 TIMING: 1074000 CPU: 3400.2, 0.00321166/step Wall: 3400.2, 0.00321166/step, 3.5025 hours remaining, 237.664062 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: 1074000 3968.9919 20568.0442 14575.2686 251.7546 -203288.6046 2681.2208 0.0000 0.0000 51841.6758 -109401.6487 297.9348 -161243.3245 -109040.4393 299.0813 187.9025 223.2009 759697.0378 -1.7773 -1.8706 PRESSURE: 1074200 78.0442 -178.681 88.4505 -178.681 -320.284 102.361 88.4506 102.363 -78.6452 GPRESSURE: 1074200 29.8781 -209.727 45.5931 -161.912 -136.3 44.239 7.52927 240.439 -118.874 PRESSAVG: 1074200 -48.7862 21.4712 -60.2476 21.4711 27.3336 8.59712 -60.2476 8.59712 -8.27182 GPRESSAVG: 1074200 -49.3442 22.8225 -60.4699 20.7244 27.5395 8.31796 -58.8976 10.7277 -7.98752 TIMING: 1074200 CPU: 3400.83, 0.00317679/step Wall: 3400.83, 0.00317679/step, 3.46429 hours remaining, 237.664062 MB of memory in use. ENERGY: 1074200 3998.0912 20459.0261 14516.1933 265.8242 -203336.5686 2306.7189 0.0000 0.0000 52204.5098 -109586.2051 300.0200 -161790.7150 -109210.2216 299.1858 -106.9618 -75.0987 761078.6233 -9.9081 -9.9307 PRESSURE: 1074400 -6.41652 -85.5173 -69.5999 -85.5174 142.631 221.816 -69.6001 221.817 40.8349 GPRESSURE: 1074400 106.575 71.9401 -68.6658 -248.467 169.045 185.42 -108.62 199.812 -0.599274 PRESSAVG: 1074400 -6.66051 14.4609 5.0951 14.4608 54.3236 14.538 5.09509 14.538 14.1276 GPRESSAVG: 1074400 -6.76189 13.052 3.25134 15.6742 54.7918 15.02 4.40946 13.776 13.5141 TIMING: 1074400 CPU: 3401.47, 0.00316654/step Wall: 3401.47, 0.00316654/step, 3.45294 hours remaining, 237.664062 MB of memory in use. ENERGY: 1074400 4039.5245 20558.1628 14557.0557 229.1101 -203318.6197 2580.6589 0.0000 0.0000 51844.1524 -109509.9553 297.9491 -161354.1077 -109158.2100 298.9810 59.0164 91.6736 758579.3162 20.5969 20.5147 PRESSURE: 1074600 415.346 85.2065 -162.19 85.2061 160.31 -100.082 -162.189 -100.081 624.885 GPRESSURE: 1074600 455.289 138.816 -48.5119 114.23 167.063 -75.8721 -59.7311 -202.693 660.262 PRESSAVG: 1074600 76.7478 13.9965 -12.4828 13.9965 -35.6428 24.2443 -12.4828 24.2443 40.5248 GPRESSAVG: 1074600 76.801 13.4378 -11.0272 16.2999 -35.903 23.2693 -12.5065 23.3286 40.5282 TIMING: 1074600 CPU: 3402.1, 0.00317172/step Wall: 3402.1, 0.00317173/step, 3.45841 hours remaining, 237.664062 MB of memory in use. ENERGY: 1074600 3896.0585 20721.7149 14593.0744 263.4327 -203437.4683 2716.2454 0.0000 0.0000 51911.2141 -109335.7282 298.3345 -161246.9424 -108983.9363 299.3866 400.1804 427.5378 760238.1145 27.2100 27.1421 PRESSURE: 1074800 313.479 -94.1681 200.864 -94.1676 -10.0626 -8.65491 200.864 -8.65489 262.648 GPRESSURE: 1074800 360.288 -261.232 115.984 -118.62 17.5531 -11.0388 113.385 187.276 280.408 PRESSAVG: 1074800 23.85 15.1025 -20.746 15.1026 -65.3388 -23.1581 -20.746 -23.1581 30.4112 GPRESSAVG: 1074800 24.5167 16.2857 -21.7394 11.8931 -65.7371 -22.5976 -21.179 -23.965 30.0072 TIMING: 1074800 CPU: 3402.74, 0.00317197/step Wall: 3402.74, 0.00317197/step, 3.45851 hours remaining, 237.664062 MB of memory in use. ENERGY: 1074800 4034.6350 20572.2147 14526.6116 235.5509 -203552.6791 2919.1623 0.0000 0.0000 52040.3332 -109224.1714 299.0765 -161264.5046 -108861.6892 299.3676 188.6883 219.4164 761398.3322 -3.6925 -3.7377 PRESSURE: 1075000 169.609 -39.3588 -53.0277 -39.359 169.945 -31.9001 -53.0268 -31.8999 547.934 GPRESSURE: 1075000 185.732 -33.6984 -71.8009 -89.343 239.909 -7.02044 -49.2208 61.353 550.971 PRESSAVG: 1075000 7.48962 -22.2192 -39.9189 -22.2192 16.1207 -33.9724 -39.9188 -33.9724 -24.3836 GPRESSAVG: 1075000 7.01256 -21.8882 -39.4121 -20.9211 16.1595 -34.2681 -39.7842 -30.0685 -23.6161 TIMING: 1075000 CPU: 3403.37, 0.00317656/step Wall: 3403.37, 0.00317656/step, 3.46333 hours remaining, 237.664062 MB of memory in use. ENERGY: 1075000 3946.0743 20664.5184 14571.6352 247.8284 -203760.7087 2997.1544 0.0000 0.0000 52068.5311 -109264.9669 299.2386 -161333.4979 -108911.9620 299.5478 295.8296 325.5373 759981.5853 -0.2578 -0.1480 PRESSURE: 1075200 -236.276 -224.492 -251.175 -224.492 -197.935 -2.9809 -251.175 -2.98086 9.92859 GPRESSURE: 1075200 -174.813 -56.8266 -173.163 -82.3401 -169.887 34.6546 -228.222 -160.426 6.28738 PRESSAVG: 1075200 31.4178 -13.2292 -83.5635 -13.2292 -4.96578 35.8626 -83.5635 35.8626 8.27943 GPRESSAVG: 1075200 30.4947 -12.4658 -83.9877 -12.5483 -4.23287 36.5478 -80.9017 33.9769 8.31832 TIMING: 1075200 CPU: 3404.02, 0.00321746/step Wall: 3404.02, 0.00321746/step, 3.50775 hours remaining, 237.664062 MB of memory in use. ENERGY: 1075200 3915.9991 20459.0015 14650.9998 239.5612 -202541.4078 2023.4570 0.0000 0.0000 52145.7914 -109106.5979 299.6826 -161252.3892 -108735.0887 299.4649 -141.4275 -112.8043 761141.0801 11.5772 11.5267 PRESSURE: 1075400 -230.452 -90.4837 141.742 -90.4835 -166.471 33.1157 141.742 33.115 -240.129 GPRESSURE: 1075400 -233.833 -50.9965 144.205 -224.8 -72.2454 -59.6483 4.5501 15.3534 -245.908 PRESSAVG: 1075400 77.0047 -4.62677 -93.785 -4.62683 -49.588 -0.92259 -93.785 -0.922574 -5.21996 GPRESSAVG: 1075400 77.2833 -4.55622 -92.3756 -5.23449 -49.1675 -3.33753 -97.5563 1.03232 -5.69337 TIMING: 1075400 CPU: 3404.65, 0.00319317/step Wall: 3404.65, 0.00319317/step, 3.48109 hours remaining, 237.664062 MB of memory in use. ENERGY: 1075400 4064.1533 20534.1177 14593.1086 248.6863 -202849.3977 2441.7201 0.0000 0.0000 51998.1581 -108969.4536 298.8341 -160967.6118 -108620.0351 300.0171 -212.3506 -183.9956 762287.3971 7.3989 7.4742 PRESSURE: 1075600 269.483 5.56678 -325.312 5.56656 -21.788 39.022 -325.312 39.023 20.4561 GPRESSURE: 1075600 333.765 82.2811 -279.148 -0.802959 -77.2294 99.3223 -322.381 -120.124 80.4224 PRESSAVG: 1075600 11.3171 -0.0969216 -47.9273 -0.096863 -17.2742 20.6623 -47.9274 20.6623 -8.21521 GPRESSAVG: 1075600 11.4767 -1.15541 -48.8427 0.219286 -18.6144 22.5525 -46.3254 18.9805 -7.06467 TIMING: 1075600 CPU: 3405.29, 0.00320198/step Wall: 3405.29, 0.00320198/step, 3.49051 hours remaining, 237.664062 MB of memory in use. ENERGY: 1075600 3940.5819 20563.3766 14505.4107 249.6670 -203091.1293 2595.7467 0.0000 0.0000 52169.8126 -109066.5338 299.8206 -161236.3464 -108694.0656 299.6978 89.3835 112.3193 760743.3575 -4.7241 -4.7341 PRESSURE: 1075800 -29.5707 -117.425 173.346 -117.425 -16.3087 -1.34095 173.347 -1.34044 -6.27137 GPRESSURE: 1075800 86.1378 -77.9628 257.811 -152.03 -66.1831 10.6258 247.96 -100.707 42.1188 PRESSAVG: 1075800 22.8923 -17.4289 -8.4289 -17.4289 -11.6172 -1.10159 -8.42886 -1.10149 -7.2052 GPRESSAVG: 1075800 24.265 -17.3548 -7.79324 -18.4872 -12.6321 0.407928 -9.03831 -1.47082 -7.28417 TIMING: 1075800 CPU: 3405.93, 0.00318559/step Wall: 3405.93, 0.00318559/step, 3.47247 hours remaining, 237.664062 MB of memory in use. ENERGY: 1075800 3987.6964 20647.4932 14571.0835 262.4364 -203305.9918 2552.6857 0.0000 0.0000 52290.4145 -108994.1822 300.5137 -161284.5967 -108631.8556 299.4969 -17.3836 20.6912 760882.5178 1.3566 1.4496 PRESSURE: 1076000 -278.507 -13.5139 11.6082 -13.5139 106.855 -21.3149 11.609 -21.315 -98.3978 GPRESSURE: 1076000 -192.372 -17.9863 64.6419 112.066 131.721 54.5696 36.6691 24.9081 -151.164 PRESSAVG: 1076000 -1.65149 -28.2309 -22.3106 -28.2308 -12.659 -39.2665 -22.3106 -39.2664 -13.271 GPRESSAVG: 1076000 -1.4781 -27.8336 -21.648 -27.3063 -12.7209 -40.3489 -23.3803 -38.4792 -13.8591 TIMING: 1076000 CPU: 3406.56, 0.00316656/step Wall: 3406.56, 0.00316656/step, 3.45155 hours remaining, 237.664062 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: 1076000 3981.4486 20620.9742 14528.9621 238.7819 -203283.9002 2756.1654 0.0000 0.0000 52050.5369 -109107.0310 299.1352 -161157.5679 -108750.7080 299.8957 -90.0168 -70.6051 761082.3219 -9.1938 -9.3527 PRESSURE: 1076200 197.759 -45.5253 119.426 -45.5254 -330.838 -135.141 119.427 -135.141 -287.263 GPRESSURE: 1076200 235 -96.8956 123.748 -38.0279 -276.842 -105.025 111.313 -141.441 -300.716 PRESSAVG: 1076200 34.2006 -40.5491 -50.2669 -40.5491 -38.3668 -75.11 -50.2669 -75.1101 5.99107 GPRESSAVG: 1076200 33.3046 -41.5993 -52.4721 -40.2912 -36.7813 -75.2699 -48.4615 -74.421 4.78904 TIMING: 1076200 CPU: 3407.2, 0.00319454/step Wall: 3407.2, 0.00319454/step, 3.48188 hours remaining, 237.664062 MB of memory in use. ENERGY: 1076200 4008.5989 20627.4842 14599.2529 246.8778 -203474.7973 2570.8310 0.0000 0.0000 52098.6346 -109323.1179 299.4116 -161421.7525 -108967.9870 299.6452 -140.1140 -114.1862 761696.9759 0.6083 0.4374 LDB: ============= START OF LOAD BALANCING ============== 3419.66 LDB: ============== END OF LOAD BALANCING =============== 3419.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3419.66 LDB: ============= START OF LOAD BALANCING ============== 3419.98 LDB: Largest compute 7032 load 0.035305 is 18.1% of average load 0.195169 LDB: Average compute 0.004398 is 2.3% of average load 0.195169 LDB: TIME 3419.99 LOAD: AVG 0.195169 MAX 0.215642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.875 MB LDB: TIME 3419.99 LOAD: AVG 0.195169 MAX 0.215642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.914 MB LDB: TIME 3419.99 LOAD: AVG 0.195169 MAX 0.215642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.914 MB LDB: ============== END OF LOAD BALANCING =============== 3419.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3419.99 PRESSURE: 1076400 -115.811 128.427 -93.3729 128.427 -123.725 -20.6129 -93.3727 -20.6118 60.957 GPRESSURE: 1076400 -114.429 94.3259 -46.6715 118.118 -165.752 -110.457 -31.8781 -21.7887 182.291 PRESSAVG: 1076400 6.61206 8.42805 -36.0921 8.42799 16.8883 18.1017 -36.0921 18.1017 -1.31003 GPRESSAVG: 1076400 6.57185 9.65149 -34.4904 7.38199 16.625 17.8233 -37.36 18.4334 -0.523481 TIMING: 1076400 CPU: 3407.86, 0.0032671/step Wall: 3407.86, 0.0032671/step, 3.56078 hours remaining, 236.851562 MB of memory in use. ENERGY: 1076400 3975.3529 20679.5035 14444.2125 237.5195 -202775.9555 2342.4394 0.0000 0.0000 52049.0321 -109047.8956 299.1265 -161096.9276 -108699.1502 299.5105 -59.5265 -32.6301 762958.0396 7.3968 7.5578 PRESSURE: 1076600 22.9162 199.126 106.023 199.126 -218.402 -20.159 106.023 -20.159 -141.505 GPRESSURE: 1076600 124.291 175.995 -2.4899 177.074 -170.44 29.3059 15.4816 -42.6074 -181.443 PRESSAVG: 1076600 -18.0144 -2.87711 -29.4757 -2.87716 23.6305 24.1214 -29.4758 24.1214 2.41025 GPRESSAVG: 1076600 -18.6751 -4.13181 -29.8433 -2.62279 23.6701 25.9961 -29.4615 23.678 2.68823 TIMING: 1076600 CPU: 3408.5, 0.00321255/step Wall: 3408.5, 0.00321255/step, 3.50114 hours remaining, 236.906250 MB of memory in use. ENERGY: 1076600 4008.1835 20596.2791 14445.8338 243.7466 -203164.6913 2419.1650 0.0000 0.0000 52161.5833 -109289.9000 299.7733 -161451.4833 -108931.6298 299.8046 -112.3300 -75.8639 761516.8207 2.6755 2.5611 PRESSURE: 1076800 115.259 60.4241 81.2681 60.4247 249.324 281.204 81.2684 281.204 -251.924 GPRESSURE: 1076800 168.792 158.832 72.6784 84.0516 244.071 231.612 -49.4755 221.229 -229.973 PRESSAVG: 1076800 -11.2508 -16.01 -21.383 -16.0099 -11.1196 13.2114 -21.383 13.2115 -12.2052 GPRESSAVG: 1076800 -10.6425 -15.0374 -23.0702 -17.0016 -11.716 13.3658 -20.6566 10.5904 -12.3396 TIMING: 1076800 CPU: 3409.13, 0.00316627/step Wall: 3409.13, 0.00316627/step, 3.45053 hours remaining, 236.906250 MB of memory in use. ENERGY: 1076800 3991.3255 20371.3076 14497.1668 250.4586 -203053.4962 2640.3770 0.0000 0.0000 51874.9040 -109427.9567 298.1258 -161302.8607 -109065.2788 299.6115 37.5528 60.9631 762659.4473 -11.5252 -11.5660 PRESSURE: 1077000 313.659 -26.667 -97.182 -26.6669 -115.781 -61.5681 -97.1803 -61.5677 143.439 GPRESSURE: 1077000 292.578 -131.102 -106.766 -108.496 -145.658 -97.9645 21.5217 147.005 286.877 PRESSAVG: 1077000 69.8227 -9.01026 0.817934 -9.01027 -83.2799 -15.3061 0.817969 -15.3061 -13.5332 GPRESSAVG: 1077000 68.9995 -10.0445 2.35569 -7.01332 -83.5875 -19.0537 1.25892 -13.8704 -12.4049 TIMING: 1077000 CPU: 3409.76, 0.00315306/step Wall: 3409.76, 0.00315306/step, 3.43596 hours remaining, 236.906250 MB of memory in use. ENERGY: 1077000 3917.5707 20536.3050 14570.6111 242.3006 -203303.1500 2513.9587 0.0000 0.0000 52027.5932 -109494.8108 299.0033 -161522.4039 -109142.3009 299.1103 113.7722 144.5988 760923.0735 -8.9968 -8.9976 PRESSURE: 1077200 88.929 110.067 286.132 110.067 -94.4274 69.9082 286.133 69.9101 226.21 GPRESSURE: 1077200 172.867 99.8754 354.456 -13.785 -44.6254 33.3984 182.727 125.432 181.951 PRESSAVG: 1077200 16.9957 6.66006 15.9371 6.66007 -74.5279 -19.3605 15.9372 -19.3605 20.1207 GPRESSAVG: 1077200 18.5704 9.42379 16.3593 3.07941 -73.4895 -17.2167 17.2619 -19.4722 18.1411 TIMING: 1077200 CPU: 3410.4, 0.00316763/step Wall: 3410.4, 0.00316763/step, 3.45166 hours remaining, 236.906250 MB of memory in use. ENERGY: 1077200 4004.4934 20607.2063 14451.9671 253.3721 -203211.1973 2456.3933 0.0000 0.0000 51796.6164 -109641.1486 297.6759 -161437.7650 -109284.2462 298.5149 73.5705 103.3974 761215.3278 -12.4705 -12.2593 PRESSURE: 1077400 225.42 258.488 -181.226 258.488 23.7861 -201.808 -181.226 -201.808 449.83 GPRESSURE: 1077400 217.642 213.47 -190.087 328.325 123.025 -220.876 -188.53 -88.3321 433.411 PRESSAVG: 1077400 43.0041 1.03491 -72.3882 1.03491 -36.727 7.44357 -72.3882 7.44351 13.1014 GPRESSAVG: 1077400 41.0793 -1.84989 -72.4293 2.95862 -36.5317 7.14942 -76.1971 8.58101 14.6732 TIMING: 1077400 CPU: 3411.03, 0.00318645/step Wall: 3411.03, 0.00318645/step, 3.47199 hours remaining, 236.906250 MB of memory in use. ENERGY: 1077400 4093.5007 20536.2962 14470.7380 253.0483 -203444.6673 2913.6428 0.0000 0.0000 51855.3109 -109322.1303 298.0132 -161177.4413 -108953.2361 298.4200 233.0120 258.0261 762899.7277 6.4595 6.4069 PRESSURE: 1077600 10.5648 96.1142 -137.432 96.1144 84.2369 174.069 -137.432 174.068 39.3019 GPRESSURE: 1077600 121.06 164.762 -157.336 58.8186 109.231 188.916 -150.361 65.0941 -1.13364 PRESSAVG: 1077600 -10.6847 41.8509 -75.7112 41.851 -36.9073 9.65866 -75.7112 9.65861 -9.27172 GPRESSAVG: 1077600 -9.00493 43.508 -75.2088 40.8407 -38.4501 11.18 -74.1719 9.07719 -9.71813 TIMING: 1077600 CPU: 3411.67, 0.00317876/step Wall: 3411.67, 0.00317876/step, 3.46344 hours remaining, 237.144531 MB of memory in use. ENERGY: 1077600 3978.5288 20527.4948 14511.2841 247.4964 -203329.3000 2667.0779 0.0000 0.0000 52013.2820 -109384.1360 298.9210 -161397.4181 -109027.6412 298.6000 44.7012 76.3857 761501.9145 -18.9546 -19.0577 PRESSURE: 1077800 -226.347 6.08937 72.6579 6.08931 87.6519 215.891 72.6574 215.892 188.124 GPRESSURE: 1077800 -210.713 -92.9889 125.843 48.0788 133.532 285.855 134.322 230.808 219.933 PRESSAVG: 1077800 48.3152 0.452528 1.23658 0.452471 -47.9145 -1.2254 1.23656 -1.22538 -17.9914 GPRESSAVG: 1077800 46.4572 -1.55259 0.630286 1.35887 -46.7145 -1.90902 3.99966 -1.65712 -17.5707 TIMING: 1077800 CPU: 3412.31, 0.0031876/step Wall: 3412.31, 0.0031876/step, 3.47289 hours remaining, 237.144531 MB of memory in use. ENERGY: 1077800 3944.1057 20681.3744 14549.5296 256.6322 -203579.8657 2869.7984 0.0000 0.0000 51815.9538 -109462.4716 297.7870 -161278.4254 -109106.8490 298.8824 16.4762 47.5841 760880.3267 -5.8636 -5.9427 PRESSURE: 1078000 205.996 149.52 -131.069 149.521 288.907 295.653 -131.068 295.652 421.295 GPRESSURE: 1078000 355.528 178.576 -124.291 89.2296 247.231 214.853 -65.1409 238.182 403.915 PRESSAVG: 1078000 27.0256 -25.9589 -41.4747 -25.9589 -42.5022 81.6433 -41.4747 81.6433 9.35178 GPRESSAVG: 1078000 29.1177 -25.404 -39.5836 -25.9268 -42.5036 80.3515 -44.9999 82.849 7.41166 TIMING: 1078000 CPU: 3412.94, 0.00318486/step Wall: 3412.94, 0.00318486/step, 3.46973 hours remaining, 237.144531 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: 1078000 3908.8075 20415.5965 14427.4331 244.2188 -203373.1528 2818.1261 0.0000 0.0000 52082.2337 -109476.7371 299.3173 -161558.9708 -109114.2935 299.0333 305.3993 335.5581 762148.0495 -2.0416 -1.9914 PRESSURE: 1078200 -80.3917 -16.9684 -12.5426 -16.968 176.026 48.9869 -12.5419 48.9878 253.828 GPRESSURE: 1078200 -3.82433 -35.067 16.472 121.482 131.206 54.2025 -19.4535 7.53661 303.749 PRESSAVG: 1078200 29.45 -2.40332 -37.9986 -2.40335 12.9406 32.3975 -37.9986 32.3974 11.9954 GPRESSAVG: 1078200 27.6838 -2.59959 -40.9794 -1.84805 13.3869 33.0204 -35.458 29.9391 13.791 TIMING: 1078200 CPU: 3413.58, 0.00317861/step Wall: 3413.58, 0.00317861/step, 3.46274 hours remaining, 237.144531 MB of memory in use. ENERGY: 1078200 4048.7104 20431.6410 14426.3819 254.9346 -203509.2384 2822.7111 0.0000 0.0000 52287.7159 -109237.1435 300.4982 -161524.8594 -108885.3640 299.0958 116.4874 143.7102 760116.7062 18.1287 18.2872 PRESSURE: 1078400 130.646 63.5378 -5.26956 63.5378 -41.7263 25.7317 -5.26918 25.7313 159.277 GPRESSURE: 1078400 78.0006 -24.3026 -152.788 104.346 37.9809 94.2843 123.131 7.78095 214.915 PRESSAVG: 1078400 -32.5205 23.1012 4.41423 23.1012 2.59044 30.1811 4.41426 30.1811 15.0139 GPRESSAVG: 1078400 -32.4108 22.018 4.05781 22.0202 2.90071 31.9459 4.86065 29.8246 14.4202 TIMING: 1078400 CPU: 3414.22, 0.00317606/step Wall: 3414.22, 0.00317606/step, 3.45979 hours remaining, 237.144531 MB of memory in use. ENERGY: 1078400 3910.1742 20494.9508 14494.0294 253.7089 -203156.1766 2586.1143 0.0000 0.0000 52084.0308 -109333.1682 299.3276 -161417.1990 -108964.4704 299.8508 82.7323 110.2988 761886.2906 -4.9721 -5.0300 PRESSURE: 1078600 133.921 -55.2687 -56.1511 -55.2684 35.1812 220.64 -56.1519 220.64 26.7959 GPRESSURE: 1078600 91.4816 -148.804 -45.2392 -88.837 33.1376 178.583 -31.4591 147.534 117.902 PRESSAVG: 1078600 -2.50341 -11.3615 -35.9058 -11.3615 5.66138 56.9729 -35.9059 56.9729 18.3554 GPRESSAVG: 1078600 -3.0354 -9.81886 -35.117 -11.1886 3.68335 54.2692 -35.9067 58.7902 20.666 TIMING: 1078600 CPU: 3414.85, 0.00318163/step Wall: 3414.85, 0.00318163/step, 3.46568 hours remaining, 237.144531 MB of memory in use. ENERGY: 1078600 3935.3417 20701.9241 14523.0111 233.3709 -203223.5748 2347.8166 0.0000 0.0000 51922.6359 -109559.4744 298.4001 -161482.1103 -109200.3012 299.0872 65.2993 80.8403 760022.1294 7.1711 7.1046 PRESSURE: 1078800 199.714 67.5249 99.7243 67.5241 -50.4358 181.336 99.7244 181.335 -379.766 GPRESSURE: 1078800 189.047 -34.8407 91.5315 122.475 57.5998 52.887 23.5285 204.084 -397.62 PRESSAVG: 1078800 -35.8987 -84.1884 -2.22002 -84.1884 7.76177 40.7723 -2.22001 40.7723 -24.9909 GPRESSAVG: 1078800 -34.7682 -84.0058 -0.811869 -85.0613 8.1004 40.6569 -4.26478 40.3518 -26.1965 TIMING: 1078800 CPU: 3415.48, 0.0031523/step Wall: 3415.48, 0.0031523/step, 3.43355 hours remaining, 237.144531 MB of memory in use. ENERGY: 1078800 4005.5279 20418.3474 14462.7141 239.1251 -203140.2858 2441.0015 0.0000 0.0000 51957.2184 -109616.3514 298.5988 -161573.5698 -109243.4263 299.1307 -76.8294 -50.3245 761475.8996 -17.7093 -17.6214 PRESSURE: 1079000 512.034 -90.0152 -138.253 -90.0156 -100.476 92.2154 -138.253 92.2148 172.121 GPRESSURE: 1079000 483.57 42.9232 -180.017 -125.425 -54.4996 -27.496 -201.487 35.1829 241.219 PRESSAVG: 1079000 48.9992 -20.082 -47.0296 -20.082 -37.7251 -21.7615 -47.0297 -21.7615 -1.37402 GPRESSAVG: 1079000 47.8801 -20.119 -46.8134 -19.4456 -35.4542 -20.7458 -46.8631 -22.2568 -1.84938 TIMING: 1079000 CPU: 3416.12, 0.00316324/step Wall: 3416.12, 0.00316324/step, 3.4453 hours remaining, 237.144531 MB of memory in use. ENERGY: 1079000 3932.7222 20635.2792 14484.9605 246.6894 -203493.5152 2627.4689 0.0000 0.0000 51940.5964 -109625.7986 298.5033 -161566.3950 -109262.8974 298.7716 194.5593 223.4298 761335.2388 3.3000 3.5255 PRESSURE: 1079200 -217.034 213.385 -109.623 213.384 -206.282 96.5948 -109.623 96.5946 -212.12 GPRESSURE: 1079200 -22.0204 153.764 -56.4268 204.718 -308.037 26.954 -188.251 98.9937 -206.374 PRESSAVG: 1079200 35.749 31.3328 -38.1209 31.3329 -4.75958 67.241 -38.1209 67.241 1.89734 GPRESSAVG: 1079200 37.4718 33.6047 -36.791 30.4514 -5.8857 66.9116 -38.1679 66.2078 1.63818 TIMING: 1079200 CPU: 3416.75, 0.0031742/step Wall: 3416.75, 0.0031742/step, 3.45706 hours remaining, 237.144531 MB of memory in use. ENERGY: 1079200 3943.2010 20527.0625 14465.3922 245.3049 -203374.2780 2545.6875 0.0000 0.0000 52062.8304 -109584.7995 299.2058 -161647.6298 -109213.4005 299.4224 -211.8119 -178.8106 761535.3036 10.9623 11.0748 PRESSURE: 1079400 -48.6087 80.2964 116.208 80.2959 -351.32 -67.7044 116.209 -67.7045 240.5 GPRESSURE: 1079400 7.15658 36.4674 63.8852 -15.6042 -289.72 -60.06 204.259 -20.3262 191.095 PRESSAVG: 1079400 -4.41909 -17.2701 19.7287 -17.2701 -59.626 7.79956 19.7287 7.79959 -9.63039 GPRESSAVG: 1079400 -5.17756 -19.4369 17.5978 -16.665 -59.4454 6.5727 21.4939 9.68814 -9.13061 TIMING: 1079400 CPU: 3417.38, 0.00315506/step Wall: 3417.38, 0.00315506/step, 3.43603 hours remaining, 237.144531 MB of memory in use. ENERGY: 1079400 3934.5794 20382.6615 14492.5836 265.8207 -203130.8032 2419.4920 0.0000 0.0000 52225.0228 -109410.6432 300.1379 -161635.6660 -109045.9844 299.1876 -53.1428 -30.4894 762572.2235 -24.5585 -24.5845 PRESSURE: 1079600 46.5804 -4.77648 83.4688 -4.77642 63.8057 -36.7082 83.4695 -36.7081 -426.718 GPRESSURE: 1079600 62.0749 -42.1701 62.9369 -89.6504 33.714 -106.743 -5.0446 -13.5304 -332.564 PRESSAVG: 1079600 57.9311 -34.1468 1.17732 -34.1468 -54.5131 4.69821 1.1774 4.69815 0.222147 GPRESSAVG: 1079600 57.7801 -33.4136 1.52508 -34.0323 -54.6181 3.5586 0.87913 4.9818 0.202936 TIMING: 1079600 CPU: 3418.01, 0.00316374/step Wall: 3418.01, 0.00316374/step, 3.44531 hours remaining, 237.144531 MB of memory in use. ENERGY: 1079600 4011.4447 20575.5130 14457.1537 226.1133 -203562.6960 2796.7265 0.0000 0.0000 51915.3292 -109580.4157 298.3581 -161495.7448 -109221.5858 298.9864 -105.4441 -78.9250 761654.8793 1.2134 1.1217 PRESSURE: 1079800 -194.566 11.4895 40.5131 11.4897 -250.787 -92.3081 40.5132 -92.3086 22.1218 GPRESSURE: 1079800 -227.034 83.1192 76.673 -33.6741 -191.252 -48.8378 108.509 -46.8597 74.1669 PRESSAVG: 1079800 26.7311 -49.4837 11.7889 -49.4838 0.971127 -57.9798 11.7889 -57.9797 2.04345 GPRESSAVG: 1079800 27.4722 -51.5932 12.3685 -48.9636 -0.211038 -56.1645 11.8232 -57.1166 2.21687 TIMING: 1079800 CPU: 3418.65, 0.00317776/step Wall: 3418.65, 0.00317776/step, 3.46041 hours remaining, 237.144531 MB of memory in use. ENERGY: 1079800 3984.5786 20425.5581 14423.1086 241.2939 -203382.7070 2527.0436 0.0000 0.0000 52039.4299 -109741.6944 299.0713 -161781.1243 -109388.6077 298.5571 -141.0770 -114.7064 760853.1851 9.9152 9.8260 PRESSURE: 1080000 205.107 54.7054 -220.395 54.7058 -104.68 -142.78 -220.395 -142.78 16.3302 GPRESSURE: 1080000 230.244 -18.7691 -211.281 167.316 -104.953 -126.286 -280.783 -273.907 109.197 PRESSAVG: 1080000 66.0025 -19.2311 -8.26838 -19.2311 -38.2515 38.9171 -8.26837 38.9172 1.88168 GPRESSAVG: 1080000 65.9777 -17.1799 -9.43728 -21.8738 -38.2695 38.2309 -9.20796 36.4994 2.15213 TIMING: 1080000 CPU: 3419.28, 0.00317586/step Wall: 3419.28, 0.00317586/step, 3.45816 hours remaining, 237.144531 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: 1080000 4032.2471 20475.1103 14376.6270 241.8444 -203197.6796 2504.4342 0.0000 0.0000 52018.2103 -109549.2063 298.9494 -161567.4166 -109194.3769 298.5990 38.9191 78.1625 760336.0566 9.8776 9.9534 PRESSURE: 1080200 -174.75 21.0189 -88.4959 21.0181 -21.939 -32.4246 -88.4964 -32.4252 -253.04 GPRESSURE: 1080200 -100.084 126.734 -33.7765 -68.0671 -0.709994 8.77184 -87.0277 -69.4689 -264.878 PRESSAVG: 1080200 12.7953 -46.7826 -34.1081 -46.7826 -16.6567 -8.45225 -34.1082 -8.45229 1.02006 GPRESSAVG: 1080200 11.8145 -46.7898 -32.0646 -44.2766 -15.5486 -6.35667 -33.3826 -8.16735 0.628274 TIMING: 1080200 CPU: 3419.92, 0.0031643/step Wall: 3419.92, 0.0031643/step, 3.4454 hours remaining, 237.144531 MB of memory in use. ENERGY: 1080200 3983.2752 20477.0333 14488.0432 245.5943 -203096.9231 2575.5704 0.0000 0.0000 52313.2041 -109014.2026 300.6447 -161327.4066 -108654.8944 299.3195 -149.9098 -121.8908 763104.2308 -0.9471 -1.0353 LDB: ============= START OF LOAD BALANCING ============== 3432.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3432.37 LDB: =============== DONE WITH MIGRATION ================ 3432.37 LDB: ============= START OF LOAD BALANCING ============== 3432.69 LDB: Largest compute 7068 load 0.036666 is 18.8% of average load 0.195173 LDB: Average compute 0.004406 is 2.3% of average load 0.195173 LDB: TIME 3432.7 LOAD: AVG 0.195173 MAX 0.212077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.344 MB LDB: TIME 3432.7 LOAD: AVG 0.195173 MAX 0.212077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.547 MB LDB: TIME 3432.7 LOAD: AVG 0.195173 MAX 0.212077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.547 MB LDB: ============== END OF LOAD BALANCING =============== 3432.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3432.7 PRESSURE: 1080400 -96.6379 92.2705 -40.6904 92.2707 -122.981 99.5642 -40.6904 99.5642 515.647 GPRESSURE: 1080400 -14.5985 59.7014 -4.77824 126.999 -142.496 119.822 -107.822 -68.2683 553.849 PRESSAVG: 1080400 9.44339 -20.7859 -12.2989 -20.7859 9.89421 13.5317 -12.2989 13.5317 15.2521 GPRESSAVG: 1080400 9.38924 -20.2725 -14.2524 -22.0165 10.3452 13.6729 -12.0169 15.1418 15.0497 TIMING: 1080400 CPU: 3420.57, 0.00324846/step Wall: 3420.57, 0.00324846/step, 3.53685 hours remaining, 237.343750 MB of memory in use. ENERGY: 1080400 4044.9211 20605.7707 14610.4666 226.1423 -202734.6617 2535.5754 0.0000 0.0000 52286.4777 -108425.3080 300.4911 -160711.7857 -108071.5713 300.8390 98.6759 132.2513 762014.3946 11.5299 11.5947 PRESSURE: 1080600 116.113 -119.736 -261.962 -119.735 140.548 20.0337 -261.962 20.0336 81.5577 GPRESSURE: 1080600 161.851 -266.767 -275.898 -137.679 167.427 84.2532 -239.218 -62.598 96.2231 PRESSAVG: 1080600 38.6033 13.0866 0.00762623 13.0865 8.07177 -20.1978 0.00762048 -20.1978 -16.0336 GPRESSAVG: 1080600 39.047 10.636 0.26661 14.7444 6.65274 -20.3495 -2.75123 -21.3729 -15.5151 TIMING: 1080600 CPU: 3421.21, 0.00319271/step Wall: 3421.21, 0.00319271/step, 3.47598 hours remaining, 237.343750 MB of memory in use. ENERGY: 1080600 3919.0833 20297.4190 14559.8838 222.7276 -203039.9544 2668.0102 0.0000 0.0000 52846.8552 -108525.9754 303.7116 -161372.8306 -108152.0754 301.5294 112.7396 141.8338 762531.2133 10.2138 10.0615 PRESSURE: 1080800 26.1773 135.197 -19.9041 135.197 -113.192 -38.8919 -19.9047 -38.892 -158.666 GPRESSURE: 1080800 -1.05138 24.821 -28.9138 55.4576 -27.7685 -47.4027 26.2726 -15.8898 -117.533 PRESSAVG: 1080800 -4.1568 -38.6319 -13.5388 -38.6319 -8.71054 -9.66596 -13.5389 -9.66596 0.816116 GPRESSAVG: 1080800 -4.92009 -39.1686 -12.4731 -40.285 -7.93993 -10.5966 -11.2413 -10.4363 1.38702 TIMING: 1080800 CPU: 3421.85, 0.00321435/step Wall: 3421.85, 0.00321435/step, 3.49935 hours remaining, 237.343750 MB of memory in use. ENERGY: 1080800 3983.6484 20425.6541 14536.3747 232.0487 -202608.8740 2403.5726 0.0000 0.0000 52391.0235 -108636.5519 301.0919 -161027.5754 -108260.7614 300.7857 -81.8935 -48.7844 762644.0525 -4.0171 -3.8243 PRESSURE: 1081000 -132.799 -172.672 192.775 -172.672 -21.8993 -300.135 192.776 -300.135 -58.2522 GPRESSURE: 1081000 -58.6338 -203.241 210.881 -150.47 2.91172 -311.549 244.67 -177.747 -53.2292 PRESSAVG: 1081000 -35.5283 -6.75899 -9.31382 -6.75895 30.3516 6.28782 -9.31379 6.2878 12.6788 GPRESSAVG: 1081000 -34.482 -4.9716 -10.0081 -7.29743 31.1992 5.87068 -10.1334 8.92328 11.0998 TIMING: 1081000 CPU: 3422.49, 0.00321802/step Wall: 3422.49, 0.00321802/step, 3.50317 hours remaining, 237.343750 MB of memory in use. ENERGY: 1081000 3897.2510 20622.8988 14549.2728 240.2376 -202558.8636 2177.2026 0.0000 0.0000 52180.1216 -108891.8793 299.8799 -161072.0009 -108530.2062 300.3982 -70.9835 -36.3171 763774.2476 2.5007 2.6057 PRESSURE: 1081200 -5.77749 94.5556 -166.994 94.5556 234.532 11.9731 -166.993 11.9726 40.1109 GPRESSURE: 1081200 0.362385 134.455 -125.505 -17.6966 261.699 -84.9327 -79.718 24.9348 93.6138 PRESSAVG: 1081200 -2.75573 -37.4303 7.64841 -37.4303 -32.1809 37.833 7.64842 37.833 3.75253 GPRESSAVG: 1081200 -3.14805 -37.8165 9.11588 -38.5706 -32.8845 38.5106 8.62572 37.7216 4.62238 TIMING: 1081200 CPU: 3423.14, 0.00322255/step Wall: 3423.14, 0.00322255/step, 3.50792 hours remaining, 237.343750 MB of memory in use. ENERGY: 1081200 3903.8553 20609.5717 14448.4667 243.5737 -203005.0765 2527.9278 0.0000 0.0000 52354.9040 -108916.7773 300.8844 -161271.6813 -108555.5989 299.7967 89.6218 118.5584 761670.7585 -10.3947 -10.4701 PRESSURE: 1081400 281.155 138.577 -65.6528 138.576 16.1354 162.225 -65.6527 162.225 340.161 GPRESSURE: 1081400 244.16 163.908 -119.916 133.864 85.8027 63.4322 -132.243 158.782 380.893 PRESSAVG: 1081400 11.4949 -39.828 -8.38089 -39.828 2.65881 20.0505 -8.38087 20.0505 -4.86307 GPRESSAVG: 1081400 10.8703 -39.4977 -9.62903 -38.1272 2.82245 20.5212 -9.78483 20.5812 -4.49262 TIMING: 1081400 CPU: 3423.78, 0.0032025/step Wall: 3423.78, 0.0032025/step, 3.48592 hours remaining, 237.343750 MB of memory in use. ENERGY: 1081400 3977.2610 20518.6634 14500.4146 247.5156 -202884.3836 2639.8351 0.0000 0.0000 51933.2851 -109067.4088 298.4613 -161000.6939 -108706.0123 299.6802 212.4838 236.9518 761643.1241 3.0969 3.0667 PRESSURE: 1081600 74.911 -65.7059 192.23 -65.7048 47.341 -79.1263 192.229 -79.1263 -76.9553 GPRESSURE: 1081600 137.898 -118.383 201.721 -117.007 40.8422 -113.306 108.621 -22.0083 -56.5426 PRESSAVG: 1081600 -22.2923 -25.3214 1.08851 -25.3213 28.953 -14.4359 1.0885 -14.436 21.7662 GPRESSAVG: 1081600 -22.9918 -26.9642 1.86398 -24.8675 29.8095 -16.3123 1.84796 -13.4226 21.3699 TIMING: 1081600 CPU: 3424.41, 0.00318728/step Wall: 3424.41, 0.00318728/step, 3.46918 hours remaining, 237.343750 MB of memory in use. ENERGY: 1081600 3976.9784 20669.9149 14499.8822 250.9967 -203194.6866 2781.0414 0.0000 0.0000 51943.5821 -109072.2910 298.5205 -161015.8730 -108704.1651 299.5632 15.0989 40.7327 761900.9483 9.4756 9.3959 PRESSURE: 1081800 75.7708 78.5591 -70.4719 78.5585 -195.026 97.6467 -70.4718 97.6456 311.382 GPRESSURE: 1081800 203.625 126.536 -29.7413 151.423 -102.862 33.7671 -45.5565 227.834 195.297 PRESSAVG: 1081800 48.4705 -18.5079 -7.15109 -18.5081 -52.0895 12.3265 -7.15109 12.3264 -2.33829 GPRESSAVG: 1081800 49.5713 -18.394 -6.38555 -18.6072 -53.6342 11.6612 -7.05482 11.7165 -1.78092 TIMING: 1081800 CPU: 3425.05, 0.00318129/step Wall: 3425.05, 0.00318129/step, 3.46248 hours remaining, 237.343750 MB of memory in use. ENERGY: 1081800 3984.0640 20534.0525 14469.8961 236.3886 -202995.9343 2491.4048 0.0000 0.0000 52158.6368 -109121.4916 299.7564 -161280.1284 -108757.2457 299.7892 64.0424 98.6867 761478.1585 -1.9858 -1.9480 PRESSURE: 1082000 203.741 -273.75 17.7074 -273.752 422.175 -25.4175 17.707 -25.417 25.7586 GPRESSURE: 1082000 192.821 -197.716 4.26111 -206.06 468.549 -51.851 -145.867 -84.605 79.884 PRESSAVG: 1082000 -26.1685 -43.1372 -47.2287 -43.1372 31.8566 5.09337 -47.2287 5.09334 1.19294 GPRESSAVG: 1082000 -27.684 -42.3638 -47.6699 -42.8536 33.0834 7.72681 -46.453 2.56895 1.48752 TIMING: 1082000 CPU: 3425.69, 0.00317634/step Wall: 3425.69, 0.00317634/step, 3.45692 hours remaining, 237.343750 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: 1082000 3982.3694 20425.5017 14498.2627 251.9874 -203289.3538 2465.3267 0.0000 0.0000 52154.4101 -109511.4958 299.7321 -161665.9060 -109145.9444 299.3409 217.2250 247.0847 758965.4179 2.2937 2.2957 PRESSURE: 1082200 122.26 -33.215 -11.6855 -33.2144 -197.01 -277.549 -11.6858 -277.548 68.7432 GPRESSURE: 1082200 43.912 78.7052 128.205 -190.439 -165.361 -277.855 -87.8533 -247.65 180.32 PRESSAVG: 1082200 24.9458 -57.4192 -40.6575 -57.4192 -53.1855 9.86985 -40.6576 9.8698 4.01549 GPRESSAVG: 1082200 25.8601 -57.1042 -40.4393 -59.7291 -53.2919 9.05191 -42.5086 11.1165 3.46555 TIMING: 1082200 CPU: 3426.32, 0.00318248/step Wall: 3426.32, 0.00318248/step, 3.46342 hours remaining, 237.343750 MB of memory in use. ENERGY: 1082200 4034.8830 20554.8933 14502.0030 248.9733 -203101.3304 2295.1073 0.0000 0.0000 52283.5071 -109181.9634 300.4740 -161465.4704 -108821.7436 299.6666 -2.0022 19.6235 761508.5838 -8.0747 -7.9887 PRESSURE: 1082400 -170.409 -15.1996 -88.1012 -15.1986 -97.0814 -19.3709 -88.1012 -19.3707 -15.4954 GPRESSURE: 1082400 -163.613 95.3069 -82.7163 83.6402 -99.7258 -4.85516 -168.814 -78.3562 57.9806 PRESSAVG: 1082400 -1.34474 -40.8898 -33.8439 -40.8897 -49.7227 -60.2967 -33.8439 -60.2968 0.121712 GPRESSAVG: 1082400 -0.943041 -40.7329 -34.1097 -38.7711 -50.3428 -59.9908 -33.9437 -60.606 0.416492 TIMING: 1082400 CPU: 3426.96, 0.00320354/step Wall: 3426.96, 0.00320354/step, 3.48617 hours remaining, 237.343750 MB of memory in use. ENERGY: 1082400 3932.1343 20825.8833 14588.6497 249.2784 -203235.3188 2589.6427 0.0000 0.0000 52115.4542 -108934.2762 299.5082 -161049.7304 -108583.5331 300.1845 -94.3287 -68.4527 762452.5731 -16.9819 -16.9564 PRESSURE: 1082600 304.838 -182.696 -69.6493 -182.696 -132.622 109.48 -69.6493 109.48 419.081 GPRESSURE: 1082600 279.985 -196.392 33.6908 -256.017 6.95922 106.938 -149.282 9.15397 390.54 PRESSAVG: 1082600 43.5622 -16.3858 -48.6557 -16.3858 -5.58477 62.4783 -48.6558 62.4783 -15.7432 GPRESSAVG: 1082600 44.0619 -16.0844 -49.1672 -16.5598 -6.39553 62.402 -48.4784 61.5103 -15.8188 TIMING: 1082600 CPU: 3427.6, 0.00319126/step Wall: 3427.6, 0.00319126/step, 3.47262 hours remaining, 237.343750 MB of memory in use. ENERGY: 1082600 3953.6900 20716.3187 14521.9496 234.4410 -203462.4531 2701.9187 0.0000 0.0000 52580.2297 -108753.9054 302.1793 -161334.1351 -108386.7158 300.5879 197.0992 225.8282 760899.5996 7.4114 7.2825 PRESSURE: 1082800 11.3463 22.1088 -70.3861 22.1094 162.825 55.4517 -70.3853 55.4513 4.81291 GPRESSURE: 1082800 45.633 -29.4165 -106.552 -32.072 213.743 70.8759 -137.136 22.4905 -2.95478 PRESSAVG: 1082800 20.4635 -41.079 -52.9615 -41.079 58.0489 -40.3807 -52.9615 -40.3808 -25.3997 GPRESSAVG: 1082800 18.753 -42.2533 -51.5054 -42.5179 59.5558 -40.5947 -52.6088 -37.459 -25.538 TIMING: 1082800 CPU: 3428.24, 0.00318266/step Wall: 3428.24, 0.00318266/step, 3.46309 hours remaining, 237.343750 MB of memory in use. ENERGY: 1082800 4022.2974 20701.7423 14538.2365 239.9104 -202820.0471 2370.0735 0.0000 0.0000 52429.6716 -108518.1155 301.3140 -160947.7870 -108155.2151 301.2830 59.6615 85.4738 760374.2573 17.7042 17.5903 PRESSURE: 1083000 100.919 -125.46 81.6696 -125.46 129.179 52.6647 81.6699 52.6647 39.6018 GPRESSURE: 1083000 154.566 -59.0708 139.119 -79.4623 130.238 -47.5574 13.5322 0.0913941 64.1901 PRESSAVG: 1083000 21.5604 -42.8303 43.0192 -42.8303 -18.7461 33.9957 43.0191 33.9957 -12.0094 GPRESSAVG: 1083000 21.7105 -43.5895 41.507 -41.1891 -19.4892 35.144 43.5887 33.4642 -11.0595 TIMING: 1083000 CPU: 3428.87, 0.0031827/step Wall: 3428.87, 0.0031827/step, 3.46296 hours remaining, 237.343750 MB of memory in use. ENERGY: 1083000 3992.9112 20622.8147 14565.3652 254.3877 -203219.9428 2445.4003 0.0000 0.0000 52608.5716 -108730.4921 302.3422 -161339.0637 -108362.8988 301.4587 89.9001 116.3313 759216.3496 -3.0650 -2.9460 PRESSURE: 1083200 318.977 20.4483 35.9831 20.4476 44.6162 12.5509 35.9834 12.5511 -380.623 GPRESSURE: 1083200 327.523 -3.28921 73.2867 62.4409 69.369 -9.86151 -23.4605 184.294 -338.342 PRESSAVG: 1083200 41.1413 -41.2582 -14.8568 -41.2582 8.71459 -22.6355 -14.8567 -22.6355 11.2344 GPRESSAVG: 1083200 42.7024 -39.9414 -13.3096 -39.9592 7.65518 -21.8731 -14.7652 -23.3244 10.2371 TIMING: 1083200 CPU: 3429.51, 0.00319654/step Wall: 3429.51, 0.00319655/step, 3.47784 hours remaining, 237.343750 MB of memory in use. ENERGY: 1083200 4009.3271 20729.8713 14553.0864 267.2747 -202947.2370 2419.6539 0.0000 0.0000 52023.9257 -108944.0979 298.9822 -160968.0236 -108594.2897 301.0540 -5.6765 19.5168 761137.1974 20.3634 20.1982 PRESSURE: 1083400 -142.984 -14.0143 -19.9563 -14.0135 21.8297 -215.289 -19.9551 -215.29 243.774 GPRESSURE: 1083400 -78.8795 45.9953 -107.243 -49.9351 144.469 -240.301 -53.7072 -198.109 129.165 PRESSAVG: 1083400 46.1682 18.0111 69.5213 18.0111 16.0788 -31.0195 69.5214 -31.0195 5.00045 GPRESSAVG: 1083400 45.1175 16.6857 68.3737 15.2822 17.3272 -33.039 69.5144 -30.1613 4.32455 TIMING: 1083400 CPU: 3430.15, 0.00319251/step Wall: 3430.15, 0.00319251/step, 3.47328 hours remaining, 237.343750 MB of memory in use. ENERGY: 1083400 3955.1301 20789.8303 14506.1386 222.7450 -203152.0295 2480.4551 0.0000 0.0000 52274.5354 -108923.1949 300.4225 -161197.7303 -108556.1656 300.4768 40.8732 64.9183 761068.8207 22.4158 22.2564 PRESSURE: 1083600 183.321 396.409 -89.0297 396.409 265.074 99.838 -89.0297 99.838 -263.36 GPRESSURE: 1083600 199.136 245.76 -98.0578 385.091 289.352 108.991 -106.891 102.739 -212.992 PRESSAVG: 1083600 20.6025 33.0035 28.7382 33.0036 -5.9883 4.26049 28.7382 4.2605 19.677 GPRESSAVG: 1083600 20.7216 35.0808 28.8445 33.766 -7.26235 5.72149 29.4682 3.22295 20.437 TIMING: 1083600 CPU: 3430.79, 0.00317593/step Wall: 3430.79, 0.00317592/step, 3.45505 hours remaining, 237.343750 MB of memory in use. ENERGY: 1083600 4010.5479 20533.4909 14536.2570 250.0915 -203095.2237 2560.2777 0.0000 0.0000 52386.9384 -108817.6203 301.0685 -161204.5587 -108458.9464 300.3534 61.6781 91.8319 761024.8363 11.4304 11.2988 PRESSURE: 1083800 347.089 -76.6144 71.219 -76.6131 64.1747 -24.4412 71.2188 -24.4411 372.405 GPRESSURE: 1083800 372.669 -69.2912 65.1675 -100.429 95.0807 -144.717 214.925 -28.0539 389.305 PRESSAVG: 1083800 41.3262 1.16167 -11.316 1.16175 -48.0359 29.9405 -11.316 29.9404 -14.0301 GPRESSAVG: 1083800 40.2064 2.03027 -11.1666 0.0385185 -47.5399 28.0991 -11.8626 29.4604 -13.3773 TIMING: 1083800 CPU: 3431.42, 0.00317769/step Wall: 3431.42, 0.00317769/step, 3.45679 hours remaining, 237.343750 MB of memory in use. ENERGY: 1083800 3939.4948 20728.3685 14476.2993 274.0495 -203231.6719 2734.1055 0.0000 0.0000 52341.6150 -108737.7393 300.8080 -161079.3543 -108381.2755 300.4629 261.2228 285.6846 759700.6549 -6.9133 -6.9036 PRESSURE: 1084000 36.4045 4.02271 25.8713 4.02326 -229.202 -147.924 25.8721 -147.924 -223.086 GPRESSURE: 1084000 25.2338 105.081 41.9888 -34.178 -141.668 -149.065 -54.9162 -10.3034 -209.741 PRESSAVG: 1084000 26.6909 33.5552 -0.89534 33.5553 -6.30485 -17.707 -0.89532 -17.707 25.4166 GPRESSAVG: 1084000 25.4605 33.6881 -1.3945 34.0853 -4.10407 -16.1128 -0.622423 -18.1547 24.1445 TIMING: 1084000 CPU: 3432.06, 0.0031967/step Wall: 3432.06, 0.0031967/step, 3.4773 hours remaining, 237.343750 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: 1084000 4005.6149 20724.9843 14468.7503 236.7039 -202347.0590 2056.4504 0.0000 0.0000 52081.1914 -108773.3639 299.3113 -160854.5553 -108425.7283 300.7528 -138.6280 -108.7249 761150.0720 15.2676 15.1670 PRESSURE: 1084200 -242.806 -43.9007 -55.9706 -43.9008 -18.1878 -128.083 -55.9708 -128.083 287.732 GPRESSURE: 1084200 -293.759 -136.885 -32.3866 -42.5302 85.4284 -130.267 -100.406 -41.113 319.751 PRESSAVG: 1084200 76.5983 0.469905 -26.3604 0.469815 -114.93 6.15171 -26.3603 6.15171 -19.5577 GPRESSAVG: 1084200 78.1008 -1.82454 -26.6353 2.66269 -116.223 6.1563 -26.4942 6.2545 -20.0729 TIMING: 1084200 CPU: 3432.7, 0.00319768/step Wall: 3432.7, 0.00319768/step, 3.47818 hours remaining, 237.343750 MB of memory in use. ENERGY: 1084200 3984.7374 20584.8142 14497.6752 268.9883 -202614.1778 2428.8466 0.0000 0.0000 52199.3478 -108649.7683 299.9904 -160849.1161 -108282.6817 300.5796 8.9126 37.1401 762403.9822 -19.2965 -19.3983 LDB: ============= START OF LOAD BALANCING ============== 3445.16 LDB: ============== END OF LOAD BALANCING =============== 3445.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3445.16 LDB: ============= START OF LOAD BALANCING ============== 3445.48 LDB: Largest compute 7032 load 0.034922 is 17.9% of average load 0.195087 LDB: Average compute 0.004415 is 2.3% of average load 0.195087 LDB: TIME 3445.48 LOAD: AVG 0.195087 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.625 MB LDB: TIME 3445.48 LOAD: AVG 0.195087 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.719 MB LDB: TIME 3445.48 LOAD: AVG 0.195087 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.719 MB LDB: ============== END OF LOAD BALANCING =============== 3445.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3445.49 PRESSURE: 1084400 -14.7481 46.6841 50.7753 46.6844 -450.385 -90.3036 50.7767 -90.3037 120.214 GPRESSURE: 1084400 104.746 77.7059 122.206 24.6444 -517.768 74.4542 78.3301 -95.582 148.858 PRESSAVG: 1084400 46.4465 -1.41107 21.7447 -1.41109 -35.1395 -35.3164 21.7447 -35.3163 19.5973 GPRESSAVG: 1084400 46.113 -0.795816 25.5225 -1.28794 -35.5223 -34.2224 20.8023 -34.7591 20.6955 TIMING: 1084400 CPU: 3433.35, 0.00325988/step Wall: 3433.35, 0.00325988/step, 3.54566 hours remaining, 239.191406 MB of memory in use. ENERGY: 1084400 3952.6528 20507.9607 14472.8553 250.0807 -202909.5834 2694.8938 0.0000 0.0000 52313.9030 -108717.2371 300.6487 -161031.1401 -108359.0633 300.3065 -114.9729 -88.0545 762553.8603 10.3014 10.4287 PRESSURE: 1084600 -223.11 244.592 37.6112 244.591 84.6318 37.7286 37.6115 37.7282 174.036 GPRESSURE: 1084600 -227.081 299.405 75.3945 227.738 221.818 -107.794 53.9953 112.298 145.064 PRESSAVG: 1084600 41.2318 -20.884 -7.74124 -20.884 -10.493 -16.0264 -7.74124 -16.0265 -6.08351 GPRESSAVG: 1084600 41.2398 -21.3057 -11.4495 -22.1188 -9.41942 -16.7814 -4.63397 -17.9404 -6.49688 TIMING: 1084600 CPU: 3433.99, 0.00315844/step Wall: 3433.99, 0.00315844/step, 3.43516 hours remaining, 239.394531 MB of memory in use. ENERGY: 1084600 4035.2257 20539.8233 14441.3378 246.2321 -202588.6398 2261.1797 0.0000 0.0000 52217.4637 -108847.3774 300.0945 -161064.8411 -108493.2210 300.3938 11.8525 46.6002 763722.3280 8.2184 8.4412 PRESSURE: 1084800 -105.318 -115.836 -38.5414 -115.836 -75.7169 -86.6403 -38.5418 -86.6398 -310.937 GPRESSURE: 1084800 -93.3386 -181.325 -59.6838 -131.239 -5.3944 -33.5697 -17.0499 -83.846 -335.538 PRESSAVG: 1084800 -5.8284 -1.52284 4.4361 -1.52276 9.26243 -46.6145 4.43607 -46.6145 -11.5013 GPRESSAVG: 1084800 -6.67177 -2.47129 5.10066 -1.15842 8.381 -46.0196 2.89416 -45.2017 -9.83611 TIMING: 1084800 CPU: 3434.62, 0.00316774/step Wall: 3434.62, 0.00316774/step, 3.44509 hours remaining, 239.394531 MB of memory in use. ENERGY: 1084800 4004.2466 20504.7842 14537.2388 239.0752 -202775.7545 2299.6227 0.0000 0.0000 52052.8604 -109137.9266 299.1485 -161190.7870 -108772.8690 299.9520 -163.9906 -144.7569 761575.1892 -2.6891 -2.7090 PRESSURE: 1085000 72.504 -2.02632 -11.4738 -2.02669 115.727 121.286 -11.4734 121.287 437.782 GPRESSURE: 1085000 -10.3191 -27.9907 12.1654 -27.5104 286.144 13.9935 106.525 115.603 447.859 PRESSAVG: 1085000 -21.3864 -13.859 23.4828 -13.8591 45.5033 62.0916 23.4828 62.0916 -0.716632 GPRESSAVG: 1085000 -21.497 -13.9123 23.0379 -14.8346 46.1657 61.5368 23.5754 61.6203 -1.07399 TIMING: 1085000 CPU: 3435.25, 0.00317019/step Wall: 3435.25, 0.00317019/step, 3.44758 hours remaining, 239.394531 MB of memory in use. ENERGY: 1085000 3889.7574 20658.8591 14468.7701 245.6900 -203022.6834 2548.7506 0.0000 0.0000 52038.0729 -109172.7833 299.0635 -161210.8562 -108810.8084 300.0470 208.6712 241.2281 761706.6395 7.8001 7.8649 PRESSURE: 1085200 -381.149 -135.964 67.9635 -135.964 -81.7118 145.5 67.9632 145.5 -60.4849 GPRESSURE: 1085200 -304.59 -53.775 67.7241 -111.08 -65.4059 136.536 77.3782 172.288 -90.3009 PRESSAVG: 1085200 -22.8799 -12.965 -13.4083 -12.9649 11.9465 73.2097 -13.4082 73.2097 -26.8512 GPRESSAVG: 1085200 -22.7102 -10.5771 -11.9715 -13.6991 10.6517 73.6953 -13.165 74.7565 -25.6983 TIMING: 1085200 CPU: 3435.89, 0.00316315/step Wall: 3435.89, 0.00316315/step, 3.43975 hours remaining, 239.394531 MB of memory in use. ENERGY: 1085200 4021.6341 20509.5727 14468.8740 227.1179 -202627.5798 2364.2078 0.0000 0.0000 51891.4268 -109144.7465 298.2207 -161036.1733 -108794.8945 299.2318 -174.4486 -153.4321 763597.9457 -12.5948 -12.5856 PRESSURE: 1085400 -51.7127 1.20022 2.1023 1.19983 248.866 -109.81 2.1027 -109.809 65.7709 GPRESSURE: 1085400 27.942 -112.104 0.212256 -31.0822 259.986 -118.282 103.715 -77.6607 59.8893 PRESSAVG: 1085400 16.9677 -48.1979 12.6439 -48.1979 -58.4717 8.19396 12.6439 8.19395 8.53311 GPRESSAVG: 1085400 17.3903 -48.6566 12.6346 -47.3881 -57.6947 6.54073 12.1149 5.5759 7.60179 TIMING: 1085400 CPU: 3436.52, 0.00316397/step Wall: 3436.52, 0.00316397/step, 3.44047 hours remaining, 239.394531 MB of memory in use. ENERGY: 1085400 4009.0421 20598.9395 14476.5688 234.1746 -203060.8499 2434.2725 0.0000 0.0000 52223.3129 -109084.5394 300.1281 -161307.8523 -108725.4059 299.3557 87.6413 115.9390 760966.3935 -10.9903 -10.9009 PRESSURE: 1085600 -205.194 168.233 -138.875 168.233 -251.615 -175.296 -138.875 -175.296 79.3391 GPRESSURE: 1085600 -108.645 210.874 -240.998 82.2285 -160.85 -193.775 -90.1143 -219.82 -18.4034 PRESSAVG: 1085600 -36.204 -39.7184 43.6907 -39.7183 16.9497 23.9898 43.6908 23.9898 -0.954064 GPRESSAVG: 1085600 -35.3588 -41.1245 41.401 -40.1814 16.1433 25.3446 43.1317 24.5326 -1.21186 TIMING: 1085600 CPU: 3437.15, 0.00316969/step Wall: 3437.15, 0.00316969/step, 3.44651 hours remaining, 239.394531 MB of memory in use. ENERGY: 1085600 3959.9997 20556.2510 14416.4802 232.7173 -202836.0091 2485.3214 0.0000 0.0000 52102.1554 -109083.0841 299.4318 -161185.2395 -108710.1695 299.6738 -125.8233 -95.9664 763589.2675 -6.7361 -6.8091 PRESSURE: 1085800 68.5199 -158.093 161.371 -158.092 -347.924 -6.53555 161.372 -6.53501 -45.3637 GPRESSURE: 1085800 93.5414 -71.0306 45.7831 -29.2569 -328.77 -13.794 97.118 49.0698 -26.9545 PRESSAVG: 1085800 66.719 -42.6061 16.497 -42.606 -66.3754 -15.6081 16.497 -15.608 -3.15944 GPRESSAVG: 1085800 66.1054 -43.1949 16.6426 -41.6162 -66.2548 -15.2299 17.9774 -14.3675 -3.1505 TIMING: 1085800 CPU: 3437.79, 0.00318204/step Wall: 3437.79, 0.00318204/step, 3.45976 hours remaining, 239.394531 MB of memory in use. ENERGY: 1085800 4012.5323 20728.4937 14515.0900 252.0646 -203206.5086 2495.3077 0.0000 0.0000 52148.2162 -109054.8042 299.6965 -161203.0203 -108691.4395 299.7703 -108.2558 -87.3943 763384.4426 -0.9386 -1.1000 PRESSURE: 1086000 103.635 -149.239 104.41 -149.239 27.4802 59.7572 104.411 59.7567 -57.7453 GPRESSURE: 1086000 73.6077 -213.116 152.592 -352.199 78.5854 6.46881 114.991 4.14957 -11.9109 PRESSAVG: 1086000 60.4754 -46.2046 17.2914 -46.2047 -21.3003 -38.0372 17.2913 -38.0372 18.1485 GPRESSAVG: 1086000 60.091 -43.5188 16.7489 -46.8457 -21.2979 -40.3668 16.1477 -40.004 17.6216 TIMING: 1086000 CPU: 3438.43, 0.00318779/step Wall: 3438.43, 0.00318779/step, 3.46583 hours remaining, 239.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 3963.2548 20621.9505 14518.1878 241.4357 -203196.2969 2537.4984 0.0000 0.0000 52266.8032 -109047.1666 300.3780 -161313.9697 -108685.9846 299.7383 24.4565 46.7607 761791.6448 19.1078 18.8049 PRESSURE: 1086200 -34.6352 139.965 9.21235 139.965 -273.502 -148.7 9.21284 -148.7 150.116 GPRESSURE: 1086200 104.685 14.4976 -18.1618 178.015 -238.834 -202.357 -101.379 -166.772 57.5952 PRESSAVG: 1086200 8.76727 -19.5595 0.449223 -19.5595 -41.2296 -44.4192 0.449248 -44.4192 -24.1687 GPRESSAVG: 1086200 8.64206 -21.7825 2.09155 -19.0412 -41.5546 -43.8114 0.634372 -45.7698 -24.5123 TIMING: 1086200 CPU: 3439.06, 0.00317545/step Wall: 3439.06, 0.00317545/step, 3.45225 hours remaining, 239.394531 MB of memory in use. ENERGY: 1086200 3979.4353 20506.8554 14528.0757 266.5162 -203197.1852 2659.1965 0.0000 0.0000 52055.7836 -109201.3224 299.1653 -161257.1060 -108841.0256 299.8789 -52.6737 -25.5178 762304.5511 -18.8770 -19.1416 PRESSURE: 1086400 201.419 9.34221 138.243 9.34173 365.798 -144.686 138.244 -144.687 89.5279 GPRESSURE: 1086400 175.105 -52.7201 61.8189 26.8839 485.135 -196.472 246.894 -228.449 76.8425 PRESSAVG: 1086400 22.0549 57.9808 16.9249 57.9808 -21.7832 -14.0028 16.925 -14.0029 5.89926 GPRESSAVG: 1086400 21.709 60.7369 16.5022 58.0049 -21.0798 -12.4553 15.7387 -12.2257 6.06752 TIMING: 1086400 CPU: 3439.7, 0.00318303/step Wall: 3439.7, 0.00318303/step, 3.46031 hours remaining, 239.394531 MB of memory in use. ENERGY: 1086400 3904.4749 20574.6026 14556.4600 248.7744 -203331.2192 2635.0538 0.0000 0.0000 52055.8706 -109355.9829 299.1658 -161411.8535 -109001.3837 299.6509 218.9149 245.6942 760423.4728 2.0570 2.2322 PRESSURE: 1086600 -181.416 304.085 145.36 304.084 -357.398 72.0488 145.36 72.0486 -186.455 GPRESSURE: 1086600 -211.188 194.657 151.029 296.11 -288.581 151.979 84.1412 45.0433 -144.164 PRESSAVG: 1086600 38.2507 49.2887 -35.2598 49.2887 -51.3629 25.7725 -35.2598 25.7725 3.2999 GPRESSAVG: 1086600 38.2553 44.4668 -33.7175 49.1282 -51.2313 24.922 -35.185 24.8411 2.71376 TIMING: 1086600 CPU: 3440.34, 0.00321363/step Wall: 3440.34, 0.00321363/step, 3.49339 hours remaining, 239.394531 MB of memory in use. ENERGY: 1086600 4017.5569 20510.0564 14492.2508 268.1903 -202360.9098 1993.3094 0.0000 0.0000 51898.1134 -109181.4326 298.2592 -161079.5460 -108828.4330 299.1328 -241.7562 -214.6445 761683.0051 -3.2708 -3.4207 PRESSURE: 1086800 -318.371 -150.597 147.76 -150.597 -198.981 -110.249 147.76 -110.249 -407.728 GPRESSURE: 1086800 -186.685 -129.5 118.729 -196.951 -256.414 -89.0497 54.1728 -109.346 -401.049 PRESSAVG: 1086800 30.8879 -5.92658 -34.9218 -5.9266 59.0033 26.9656 -34.9218 26.9657 -17.3721 GPRESSAVG: 1086800 31.2329 -4.37991 -36.0439 -4.47113 58.4379 25.527 -33.4852 28.6058 -17.3639 TIMING: 1086800 CPU: 3440.98, 0.00317112/step Wall: 3440.98, 0.00317112/step, 3.44701 hours remaining, 239.394531 MB of memory in use. ENERGY: 1086800 3978.9597 20573.8898 14487.2215 252.0250 -202963.8812 2397.4682 0.0000 0.0000 52182.0536 -109092.2634 299.8910 -161274.3170 -108740.5744 299.8670 -308.3600 -281.3824 761237.0717 24.1730 24.1023 PRESSURE: 1087000 233.116 76.0419 -164.053 76.0419 -34.3265 2.88893 -164.053 2.88895 -40.7966 GPRESSURE: 1087000 310.684 48.2665 -155.401 177.561 -41.1937 69.109 -100.951 -109.675 -29.2299 PRESSAVG: 1087000 34.025 1.42229 -52.8561 1.42227 -20.2061 -15.0745 -52.8561 -15.0745 6.15499 GPRESSAVG: 1087000 35.1945 3.68708 -53.8031 0.19931 -21.5197 -13.8259 -53.7172 -15.4159 6.1852 TIMING: 1087000 CPU: 3441.61, 0.00319808/step Wall: 3441.61, 0.00319808/step, 3.47614 hours remaining, 239.394531 MB of memory in use. ENERGY: 1087000 3986.5304 20417.9803 14453.8960 260.6063 -202872.6567 2403.7374 0.0000 0.0000 52261.0980 -109088.8083 300.3452 -161349.9063 -108732.1918 299.8362 52.6644 80.0868 762801.7080 6.6580 6.6200 PRESSURE: 1087200 78.209 81.4221 -25.8975 81.4222 -42.3496 -134.268 -25.8978 -134.268 -281.085 GPRESSURE: 1087200 62.5886 42.4547 -7.29634 19.9035 10.0359 -119.144 10.1062 -274.083 -236.179 PRESSAVG: 1087200 11.4438 47.3861 -76.7068 47.3861 28.0965 -22.2799 -76.7068 -22.28 -8.71985 GPRESSAVG: 1087200 11.1155 46.4996 -74.4873 47.3654 28.8608 -22.7853 -76.1431 -22.0996 -8.8159 TIMING: 1087200 CPU: 3442.25, 0.0031982/step Wall: 3442.25, 0.0031982/step, 3.47609 hours remaining, 239.394531 MB of memory in use. ENERGY: 1087200 3953.2440 20530.0797 14490.6484 255.4486 -203266.3056 2690.2057 0.0000 0.0000 52090.6874 -109255.9918 299.3659 -161346.6792 -108895.3541 299.5512 -81.7420 -54.5182 763103.0985 10.2735 10.3868 PRESSURE: 1087400 -229.868 -27.1354 81.4568 -27.1355 98.699 -134.835 81.4558 -134.834 -293.117 GPRESSURE: 1087400 -203.957 -78.1418 61.0795 -15.4864 162.863 -106.106 17.3471 -80.2985 -291.186 PRESSAVG: 1087400 -26.8086 70.9129 -41.5094 70.9129 20.2705 -6.91136 -41.5094 -6.91137 25.0292 GPRESSAVG: 1087400 -28.0405 70.1007 -42.2476 68.0441 21.0664 -7.44227 -41.4602 -5.61808 25.0278 TIMING: 1087400 CPU: 3442.89, 0.00317765/step Wall: 3442.89, 0.00317765/step, 3.45357 hours remaining, 239.394531 MB of memory in use. ENERGY: 1087400 3995.2689 20502.9662 14551.4929 255.0658 -202846.8143 2278.9027 0.0000 0.0000 52012.6396 -109250.4783 298.9174 -161263.1179 -108895.0931 299.7532 -141.4287 -110.7600 762024.8313 6.1637 6.0179 PRESSURE: 1087600 -25.0544 63.4435 41.0816 63.4444 -31.3349 -22.2437 41.0829 -22.2431 216.883 GPRESSURE: 1087600 3.70073 90.7995 8.32101 69.601 58.0957 -47.3769 -51.0464 -72.8851 188.579 PRESSAVG: 1087600 -11.5414 -6.6399 -25.9379 -6.63994 23.3141 44.4149 -25.9379 44.4149 -4.57484 GPRESSAVG: 1087600 -12.02 -8.44975 -27.5482 -4.01812 23.9119 45.5429 -25.8997 42.9887 -4.38302 TIMING: 1087600 CPU: 3443.52, 0.00317352/step Wall: 3443.52, 0.00317352/step, 3.44891 hours remaining, 239.652344 MB of memory in use. ENERGY: 1087600 3995.5179 20402.0207 14423.9483 238.6755 -203057.6643 2528.1453 0.0000 0.0000 52141.4142 -109327.9424 299.6574 -161469.3566 -108962.9245 299.5865 53.4979 83.4586 761877.3596 2.3993 2.5030 PRESSURE: 1087800 141.821 -11.4572 -158.63 -11.4576 279.038 -170.877 -158.63 -170.877 257.189 GPRESSURE: 1087800 142.688 65.9401 -127.137 -51.458 307.525 -176.29 -145.505 -76.5009 297.039 PRESSAVG: 1087800 0.17037 -27.2079 18.6708 -27.208 -4.14742 45.2004 18.6709 45.2004 2.01775 GPRESSAVG: 1087800 0.274734 -25.9885 20.5342 -27.6513 -4.76928 43.4616 16.4203 46.8353 2.73627 TIMING: 1087800 CPU: 3444.16, 0.00317982/step Wall: 3444.16, 0.00317982/step, 3.45558 hours remaining, 239.652344 MB of memory in use. ENERGY: 1087800 3937.0851 20561.1983 14528.7203 253.9396 -203578.8681 2594.9893 0.0000 0.0000 52188.1673 -109514.7682 299.9261 -161702.9355 -109145.0622 299.3994 226.0159 249.0840 760043.9907 -0.6531 -0.5861 PRESSURE: 1088000 -31.7111 -14.1142 86.7384 -14.1141 56.8516 -36.6445 86.7391 -36.6434 -36.8003 GPRESSURE: 1088000 -15.9901 -24.5461 29.3887 12.0704 75.7571 24.0062 13.4946 -23.2626 10.9171 PRESSAVG: 1088000 3.43763 28.4311 -46.1242 28.4311 -7.79572 27.433 -46.1243 27.433 2.54905 GPRESSAVG: 1088000 3.7373 29.2571 -47.3559 28.7145 -7.67366 28.3845 -44.72 25.4766 2.74645 TIMING: 1088000 CPU: 3444.8, 0.00318862/step Wall: 3444.8, 0.00318862/step, 3.46496 hours remaining, 239.652344 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: 1088000 3981.4296 20641.7689 14515.9315 240.4645 -203584.7816 2560.3397 0.0000 0.0000 51916.5558 -109728.2916 298.3652 -161644.8474 -109359.6975 299.0094 -3.8866 23.5614 760232.0974 -0.6030 -0.3966 PRESSURE: 1088200 -99.0441 300.398 -145.19 300.398 -107.921 59.1256 -145.191 59.1254 -441.802 GPRESSURE: 1088200 -56.7061 232.481 -126.534 216.694 -25.7432 44.2053 -110.389 56.4041 -453.723 PRESSAVG: 1088200 -38.7867 0.630866 -30.9203 0.630821 39.9933 11.8923 -30.9204 11.8923 11.6569 GPRESSAVG: 1088200 -38.5773 1.7609 -29.5656 0.290388 38.6521 12.3617 -30.2943 11.57 11.9894 TIMING: 1088200 CPU: 3445.44, 0.00318738/step Wall: 3445.44, 0.00318738/step, 3.46345 hours remaining, 239.652344 MB of memory in use. ENERGY: 1088200 4004.8956 20594.2747 14492.0639 267.8689 -203051.0605 2338.8513 0.0000 0.0000 51626.9476 -109726.1583 296.7008 -161353.1059 -109358.3264 299.0744 -216.2557 -178.7241 761797.5365 4.2878 4.0214 LDB: ============= START OF LOAD BALANCING ============== 3457.89 LDB: ============== END OF LOAD BALANCING =============== 3457.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3457.89 LDB: ============= START OF LOAD BALANCING ============== 3458.21 LDB: Largest compute 7032 load 0.036024 is 18.5% of average load 0.195191 LDB: Average compute 0.004419 is 2.3% of average load 0.195191 LDB: TIME 3458.21 LOAD: AVG 0.195191 MAX 0.212661 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.453 MB LDB: TIME 3458.21 LOAD: AVG 0.195191 MAX 0.212661 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.457 MB LDB: TIME 3458.21 LOAD: AVG 0.195191 MAX 0.212661 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.457 MB LDB: ============== END OF LOAD BALANCING =============== 3458.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3458.22 PRESSURE: 1088400 -214.136 162.971 6.49909 162.971 -45.523 -125.181 6.49884 -125.181 -429.13 GPRESSURE: 1088400 -176.891 172.59 10.6451 171.759 -4.06326 -92.1494 53.2755 -51.6222 -422.088 PRESSAVG: 1088400 -18.5546 106.751 -31.1248 106.751 22.3856 -18.6312 -31.1248 -18.6311 18.0442 GPRESSAVG: 1088400 -18.184 106.473 -30.4399 107.078 21.959 -19.2468 -30.2396 -18.3036 17.9064 TIMING: 1088400 CPU: 3446.08, 0.00323923/step Wall: 3446.08, 0.00323923/step, 3.5196 hours remaining, 237.843750 MB of memory in use. ENERGY: 1088400 4008.1693 20622.1326 14483.1710 247.3327 -203421.2670 2458.6876 0.0000 0.0000 52046.6201 -109555.1536 299.1126 -161601.7737 -109197.9414 298.8774 -229.5961 -201.0142 761648.1219 7.2917 7.2271 PRESSURE: 1088600 155.105 -45.7473 89.9223 -45.7488 139.85 -28.9777 89.9223 -28.979 83.5108 GPRESSURE: 1088600 128.166 -3.91811 -28.2739 -13.7353 195.587 -47.5973 151.717 36.9373 149.022 PRESSAVG: 1088600 8.09914 17.2484 -5.29304 17.2484 29.1238 12.8646 -5.29292 12.8644 -24.3677 GPRESSAVG: 1088600 7.27265 15.3404 -7.14422 20.4499 30.0156 14.3082 -5.47873 15.6069 -24.2841 TIMING: 1088600 CPU: 3446.72, 0.00317524/step Wall: 3446.72, 0.00317524/step, 3.4499 hours remaining, 237.843750 MB of memory in use. ENERGY: 1088600 4019.4756 20699.2756 14535.3928 236.7888 -203069.5361 2245.6836 0.0000 0.0000 51973.1297 -109359.7899 298.6903 -161332.9196 -108990.9269 299.7802 126.1553 157.5917 758524.3114 4.2851 4.3347 PRESSURE: 1088800 34.1373 -87.8414 38.2884 -87.8408 -82.5782 68.6364 38.2867 68.6354 -46.522 GPRESSURE: 1088800 162.381 -109.11 27.4526 -90.3522 -43.784 38.9522 3.42076 -107.305 -139.904 PRESSAVG: 1088800 10.0024 17.2104 11.6863 17.2104 38.9874 -33.8428 11.6863 -33.8428 10.4391 GPRESSAVG: 1088800 10.2276 15.8067 11.0719 13.9217 39.3707 -36.2926 11.852 -38.3634 10.2635 TIMING: 1088800 CPU: 3447.36, 0.00318381/step Wall: 3447.36, 0.00318381/step, 3.45904 hours remaining, 237.843750 MB of memory in use. ENERGY: 1088800 4008.0771 20649.2544 14538.8556 252.3165 -203460.1470 2466.8220 0.0000 0.0000 52119.6380 -109425.1834 299.5323 -161544.8214 -109057.4397 299.7692 -31.6543 -7.1024 759737.0859 19.8096 19.9539 PRESSURE: 1089000 330.567 190.088 115.267 190.088 178.145 91.7615 115.267 91.7613 87.208 GPRESSURE: 1089000 308.213 168.224 60.4161 248.376 275.105 74.3056 109.219 60.6357 75.201 PRESSAVG: 1089000 -19.9854 21.4034 16.5327 21.4033 40.9904 21.9577 16.5328 21.9577 -0.107228 GPRESSAVG: 1089000 -20.1966 24.4953 17.6058 21.3378 41.4108 22.682 14.8024 24.7365 -0.565481 TIMING: 1089000 CPU: 3447.99, 0.0031913/step Wall: 3447.99, 0.0031913/step, 3.467 hours remaining, 237.843750 MB of memory in use. ENERGY: 1089000 3965.7972 20588.4382 14508.9232 231.8317 -203315.8865 2513.6938 0.0000 0.0000 52273.7763 -109233.4262 300.4181 -161507.2024 -108868.8622 299.5468 198.6398 219.5061 760065.8479 6.9659 6.8829 PRESSURE: 1089200 -394.036 124.879 126.973 124.879 -273.663 107.258 126.974 107.256 -113.356 GPRESSURE: 1089200 -387.112 180.627 89.5214 100.469 -260.681 190.479 213.557 21.166 -38.7018 PRESSAVG: 1089200 -34.3035 24.3061 7.53806 24.306 14.0609 -51.0597 7.53805 -51.0598 -5.9635 GPRESSAVG: 1089200 -33.8143 22.7141 8.35348 24.7874 12.9535 -50.4341 9.15442 -51.9806 -5.55226 TIMING: 1089200 CPU: 3448.63, 0.00319493/step Wall: 3448.63, 0.00319493/step, 3.47075 hours remaining, 237.843750 MB of memory in use. ENERGY: 1089200 3979.2256 20437.6077 14537.6246 243.8714 -203073.0035 2324.3816 0.0000 0.0000 52158.0564 -109392.2362 299.7531 -161550.2927 -109024.8769 299.7888 -260.3515 -228.8316 761919.9482 -8.7354 -8.8044 PRESSURE: 1089400 147.527 -68.476 -4.02286 -68.4763 -344.728 43.9701 -4.02287 43.97 19.9652 GPRESSURE: 1089400 126.533 41.12 -26.166 -35.4921 -224.171 -20.2657 -58.4457 91.0367 3.02916 PRESSAVG: 1089400 31.1087 34.1208 27.0914 34.1208 -47.0733 -37.2338 27.0914 -37.2338 9.37813 GPRESSAVG: 1089400 32.3002 34.99 27.1098 33.0676 -48.4848 -37.5549 25.273 -34.7597 9.76617 TIMING: 1089400 CPU: 3449.27, 0.00320105/step Wall: 3449.27, 0.00320105/step, 3.47723 hours remaining, 237.843750 MB of memory in use. ENERGY: 1089400 3995.1223 20272.5210 14550.0023 242.8939 -203013.5302 2362.4643 0.0000 0.0000 52266.2370 -109324.2896 300.3748 -161590.5266 -108958.8192 299.8538 -59.0788 -31.5361 760788.3632 -2.1955 -2.1395 PRESSURE: 1089600 315.401 99.0521 98.5374 99.0535 483.867 -59.8645 98.5381 -59.8642 53.1264 GPRESSURE: 1089600 367.439 131.199 71.0495 120.09 441.429 -86.0953 73.9213 -121.841 124.2 PRESSAVG: 1089600 42.4205 39.5772 -4.7662 39.5772 -39.4999 -6.04869 -4.76615 -6.0488 5.91165 GPRESSAVG: 1089600 41.991 38.9371 -4.7058 39.4546 -39.3155 -5.57801 -3.33551 -9.52663 5.8183 TIMING: 1089600 CPU: 3449.91, 0.00319765/step Wall: 3449.91, 0.00319765/step, 3.47336 hours remaining, 237.843750 MB of memory in use. ENERGY: 1089600 3948.3983 20567.7865 14454.6066 248.7536 -202979.8257 2405.7955 0.0000 0.0000 51778.4908 -109575.9943 297.5717 -161354.4851 -109220.4694 299.5160 284.1314 311.0225 761253.8415 2.9441 2.8313 PRESSURE: 1089800 78.6744 47.404 163.567 47.4037 295.722 79.4899 163.566 79.4897 -340.784 GPRESSURE: 1089800 126.971 59.1351 106.827 86.6995 334.059 42.6052 156.564 47.7258 -330.139 PRESSAVG: 1089800 68.5928 -29.3055 -65.9986 -29.3054 -40.2123 -22.2465 -65.9986 -22.2465 7.80737 GPRESSAVG: 1089800 69.3183 -28.0518 -66.4332 -28.2776 -41.2391 -23.4579 -66.5618 -19.6301 8.12993 TIMING: 1089800 CPU: 3450.55, 0.00318191/step Wall: 3450.55, 0.00318191/step, 3.45609 hours remaining, 237.843750 MB of memory in use. ENERGY: 1089800 3955.3097 20441.0593 14565.4270 248.2132 -202970.2318 2405.4425 0.0000 0.0000 51818.2562 -109536.5240 297.8002 -161354.7802 -109176.5154 298.9212 11.2040 43.6304 761601.9288 12.0626 12.0697 PRESSURE: 1090000 -382.445 78.565 5.16133 78.5641 -284.144 -21.2488 5.16131 -21.2494 103.103 GPRESSURE: 1090000 -336.023 150.401 -40.5378 59.2709 -169.432 -97.5516 65.5784 -69.3146 32.998 PRESSAVG: 1090000 -30.2957 40.2887 -9.1394 40.2887 31.7931 0.109779 -9.13937 0.109814 -13.3026 GPRESSAVG: 1090000 -32.4027 39.0452 -11.4131 42.1096 33.984 2.27693 -7.43147 -0.0665928 -14.0728 TIMING: 1090000 CPU: 3451.19, 0.00318091/step Wall: 3451.19, 0.00318091/step, 3.45482 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1090000 3929.5027 20554.0689 14488.6347 248.8401 -203499.6866 2648.5098 0.0000 0.0000 52217.0739 -109413.0565 300.0922 -161630.1303 -109047.3007 299.0600 -187.8287 -157.4856 762909.2060 -3.9351 -4.1639 PRESSURE: 1090200 -45.1679 125.204 84.1545 125.204 -130.705 61.956 84.1544 61.955 179.018 GPRESSURE: 1090200 2.18912 88.1566 49.96 59.4718 -76.1928 43.6482 48.825 209.619 161.456 PRESSAVG: 1090200 17.0336 -4.02365 -21.8373 -4.02366 -26.2451 -30.2355 -21.8373 -30.2355 2.37038 GPRESSAVG: 1090200 18.3799 -1.39404 -19.2823 -7.61595 -27.982 -32.6663 -22.5423 -29.378 3.01918 TIMING: 1090200 CPU: 3451.82, 0.00318536/step Wall: 3451.82, 0.00318536/step, 3.45948 hours remaining, 237.843750 MB of memory in use. ENERGY: 1090200 3832.5532 20565.2194 14426.7344 246.6209 -202899.8460 2221.4203 0.0000 0.0000 52139.6510 -109467.6469 299.6473 -161607.2980 -109109.3248 299.0466 1.0484 29.1508 762610.4195 -2.2804 -2.1943 PRESSURE: 1090400 -148.408 -57.841 -211.137 -57.8411 -181.793 -121.46 -211.137 -121.46 38.5387 GPRESSURE: 1090400 -96.3268 -160.317 -118.019 2.58054 -212.124 -70.6521 -150.692 -54.3748 92.0291 PRESSAVG: 1090400 71.1821 -16.3069 -19.5689 -16.307 -68.8481 63.0703 -19.5689 63.0703 -18.7198 GPRESSAVG: 1090400 70.6889 -18.4708 -18.9806 -16.137 -67.9874 64.6631 -20.2356 61.5216 -19.3313 TIMING: 1090400 CPU: 3452.46, 0.00317335/step Wall: 3452.46, 0.00317334/step, 3.44625 hours remaining, 237.843750 MB of memory in use. ENERGY: 1090400 4079.2044 20445.8362 14509.6737 257.5083 -203407.6433 2555.8737 0.0000 0.0000 52072.6102 -109486.9367 299.2620 -161559.5469 -109132.2603 299.0919 -97.2209 -72.1405 761636.5317 -5.4619 -5.5432 PRESSURE: 1090600 -86.7301 -49.5356 -21.0378 -49.534 -200.403 -203.074 -21.0371 -203.074 138.318 GPRESSURE: 1090600 12.3785 57.9108 58.8125 48.9374 -179.354 -148.836 -87.1137 -77.3928 105.192 PRESSAVG: 1090600 41.724 7.58701 -8.12067 7.58706 -7.45951 -2.15791 -8.12074 -2.15792 9.37795 GPRESSAVG: 1090600 42.7875 5.76576 -8.02824 9.28857 -7.97037 -0.889259 -7.90374 -2.97017 8.65248 TIMING: 1090600 CPU: 3453.09, 0.00316448/step Wall: 3453.09, 0.00316448/step, 3.43645 hours remaining, 237.843750 MB of memory in use. ENERGY: 1090600 4093.1725 20483.1276 14442.0734 262.6076 -203135.8265 2548.8486 0.0000 0.0000 51820.5288 -109485.4679 297.8133 -161305.9968 -109129.4296 299.4898 -49.6052 -20.5943 760604.8395 14.5475 14.4899 PRESSURE: 1090800 -136.152 89.6075 57.8794 89.6071 341.215 -158.785 57.8798 -158.785 -53.9019 GPRESSURE: 1090800 -83.5234 37.8414 21.8824 69.4146 282.209 -187.561 154.574 51.4394 34.6672 PRESSAVG: 1090800 -31.7342 -19.0758 0.278615 -19.0759 -7.65438 -9.78836 0.278603 -9.78836 -27.6367 GPRESSAVG: 1090800 -33.259 -15.8542 -0.710499 -18.0117 -8.73562 -10.9306 -1.22033 -7.31952 -24.6842 TIMING: 1090800 CPU: 3453.72, 0.00316244/step Wall: 3453.72, 0.00316244/step, 3.43405 hours remaining, 237.843750 MB of memory in use. ENERGY: 1090800 3907.1951 20626.4288 14545.7262 237.6404 -203490.5996 2580.1029 0.0000 0.0000 52377.3189 -109216.1875 301.0132 -161593.5064 -108844.4832 299.3000 50.3870 77.7842 761968.7191 -22.3418 -22.2263 PRESSURE: 1091000 -272.515 224.457 -112.892 224.458 -108.71 57.3777 -112.892 57.3779 -261.888 GPRESSURE: 1091000 -230.353 150.953 -106 103.142 12.6322 90.7344 33.3903 -19.6348 -333.326 PRESSAVG: 1091000 25.5593 22.602 11.1113 22.6019 -19.0877 -21.7844 11.1113 -21.7845 6.58289 GPRESSAVG: 1091000 26.6868 20.648 11.2024 19.4249 -18.6878 -20.0227 12.725 -23.9297 4.55488 TIMING: 1091000 CPU: 3454.35, 0.00315147/step Wall: 3454.35, 0.00315147/step, 3.42198 hours remaining, 237.843750 MB of memory in use. ENERGY: 1091000 4008.2952 20437.8898 14568.1536 241.3841 -202929.3492 2227.7995 0.0000 0.0000 52299.6085 -109146.2184 300.5666 -161445.8269 -108777.2302 299.7049 -214.3713 -183.6821 761934.0929 4.3515 4.1846 PRESSURE: 1091200 23.1633 -122.752 90.7427 -122.752 -104.383 -40.2192 90.743 -40.2197 -163.653 GPRESSURE: 1091200 -22.4479 -191.706 28.744 -100.332 -90.6654 -110.594 8.50734 -134.143 -46.299 PRESSAVG: 1091200 21.5649 -28.6847 20.0587 -28.6847 34.4221 14.1637 20.0586 14.1636 -19.7399 GPRESSAVG: 1091200 19.9181 -27.8937 21.3834 -27.3768 35.0477 11.2339 20.8273 15.0067 -18.9667 TIMING: 1091200 CPU: 3454.99, 0.00316945/step Wall: 3454.99, 0.00316945/step, 3.44132 hours remaining, 237.843750 MB of memory in use. ENERGY: 1091200 4068.5822 20568.2207 14551.3567 248.8352 -203431.0589 2716.2216 0.0000 0.0000 52174.0579 -109103.7845 299.8450 -161277.8424 -108758.5462 300.4460 -81.6245 -53.1374 761762.1387 12.0824 11.9997 PRESSURE: 1091400 62.0814 -213.256 194.612 -213.256 -412.502 200.927 194.613 200.927 242.303 GPRESSURE: 1091400 111.132 -185.444 106.865 -84.0913 -281.263 72.1709 199.952 219.707 174.083 PRESSAVG: 1091400 34.7456 -54.76 11.2827 -54.76 -40.7695 50.0133 11.2827 50.0133 9.61789 GPRESSAVG: 1091400 35.8547 -53.9289 8.70041 -54.8318 -40.4755 50.0815 8.69533 49.4131 8.83291 TIMING: 1091400 CPU: 3455.62, 0.00317293/step Wall: 3455.62, 0.00317293/step, 3.44492 hours remaining, 237.843750 MB of memory in use. ENERGY: 1091400 3967.1401 20559.1691 14605.3724 241.8450 -203384.8564 2753.7969 0.0000 0.0000 52129.7574 -109127.7755 299.5904 -161257.5328 -108760.0163 299.8453 -36.0392 1.3174 761912.4368 1.1980 1.4041 PRESSURE: 1091600 342.772 -52.2132 66.4223 -52.2131 50.6026 49.1759 66.4225 49.1765 180.97 GPRESSURE: 1091600 363.918 82.0143 86.2033 -114.571 50.6917 1.42934 -53.0621 111.355 225.343 PRESSAVG: 1091600 57.7096 -13.7975 -9.81792 -13.7974 -56.36 27.99 -9.81797 27.9899 -1.30052 GPRESSAVG: 1091600 57.4322 -12.0392 -8.04799 -13.3628 -57.0605 29.4218 -7.48705 28.8875 -0.192827 TIMING: 1091600 CPU: 3456.26, 0.00318709/step Wall: 3456.26, 0.00318709/step, 3.46012 hours remaining, 237.843750 MB of memory in use. ENERGY: 1091600 4033.9285 20391.5085 14568.5449 256.6305 -203365.3725 2565.8872 0.0000 0.0000 52379.3544 -109169.5185 301.0249 -161548.8728 -108802.5947 299.6901 191.4479 213.3175 761732.7855 0.0164 0.0597 PRESSURE: 1091800 -64.6533 -33.8932 80.9696 -33.8925 -76.0857 -75.259 80.9696 -75.259 171.961 GPRESSURE: 1091800 17.3436 -25.3438 -4.50535 -156.211 -116.252 -43.6665 196.264 25.892 205.761 PRESSAVG: 1091800 61.1784 10.2008 -12.7501 10.2008 -26.7406 -8.67331 -12.7501 -8.67328 31.8273 GPRESSAVG: 1091800 60.8259 9.0045 -13.4581 11.4763 -26.1785 -8.94456 -13.8992 -9.61594 31.6003 TIMING: 1091800 CPU: 3456.89, 0.00317031/step Wall: 3456.89, 0.00317031/step, 3.44173 hours remaining, 237.843750 MB of memory in use. ENERGY: 1091800 3964.3492 20358.6359 14425.6359 250.9364 -203322.9564 2720.0671 0.0000 0.0000 52159.3000 -109444.0319 299.7602 -161603.3318 -109068.9648 299.6210 10.4073 35.6174 762177.8604 22.0884 22.0826 PRESSURE: 1092000 5.93449 -138.208 -223.323 -138.209 -271.056 97.3135 -223.323 97.3125 -216.903 GPRESSURE: 1092000 -77.6314 -176.656 -140.999 -196.81 -103.171 22.5625 -133.305 23.9753 -211.365 PRESSAVG: 1092000 18.0876 22.0812 -10.8804 22.0813 -44.8987 -3.49255 -10.8804 -3.49254 -11.2803 GPRESSAVG: 1092000 18.8966 21.5716 -11.1486 20.9166 -45.9143 -3.82603 -10.9513 -3.1351 -11.1085 TIMING: 1092000 CPU: 3457.53, 0.00319109/step Wall: 3457.53, 0.00319109/step, 3.46411 hours remaining, 237.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1092000 3981.4434 20451.7018 14573.9260 254.5852 -203197.2541 2469.0712 0.0000 0.0000 51846.0991 -109620.4274 297.9602 -161466.5264 -109259.4289 299.2011 -160.6748 -130.7224 759747.0374 -12.6971 -12.7087 PRESSURE: 1092200 178.357 42.3967 57.6231 42.3968 253.249 -112.716 57.6233 -112.717 178.811 GPRESSURE: 1092200 211.488 64.463 35.5429 104.717 269.57 -87.9894 -104.048 -71.2569 211.96 PRESSAVG: 1092200 87.9034 42.8973 -48.42 42.8973 -78.3045 19.3238 -48.42 19.3238 -22.8269 GPRESSAVG: 1092200 86.9648 43.6043 -48.7912 42.329 -77.3081 21.1309 -48.772 19.5479 -23.0121 TIMING: 1092200 CPU: 3458.17, 0.00319176/step Wall: 3458.17, 0.00319176/step, 3.46466 hours remaining, 237.843750 MB of memory in use. ENERGY: 1092200 3910.2625 20578.1995 14535.9272 254.8666 -203749.9076 2906.6278 0.0000 0.0000 51919.9844 -109644.0396 298.3849 -161564.0240 -109285.9230 299.2136 203.4724 231.0058 759576.9103 -4.4093 -4.4518 LDB: ============= START OF LOAD BALANCING ============== 3470.62 LDB: ============== END OF LOAD BALANCING =============== 3470.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3470.62 LDB: ============= START OF LOAD BALANCING ============== 3470.94 LDB: Largest compute 7068 load 0.036677 is 18.8% of average load 0.195187 LDB: Average compute 0.004426 is 2.3% of average load 0.195187 LDB: TIME 3470.95 LOAD: AVG 0.195187 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 3470.95 LOAD: AVG 0.195187 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 3470.95 LOAD: AVG 0.195187 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 3470.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3470.96 PRESSURE: 1092400 -138.486 -62.6648 -292.221 -62.665 -328.305 -83.6109 -292.222 -83.6109 -69.951 GPRESSURE: 1092400 -38.5313 -0.322345 -313.066 -26.0189 -345.231 -86.7424 -196.709 -120.365 -66.9701 PRESSAVG: 1092400 13.514 -24.2303 -12.7157 -24.2304 17.0195 0.525234 -12.7156 0.525178 16.2208 GPRESSAVG: 1092400 13.867 -24.2309 -10.5799 -23.2486 16.9177 -1.19571 -12.8039 -1.98628 15.7501 TIMING: 1092400 CPU: 3458.82, 0.00325215/step Wall: 3458.82, 0.00325215/step, 3.53003 hours remaining, 237.468750 MB of memory in use. ENERGY: 1092400 3946.3355 20487.3201 14581.0772 253.6386 -203292.7667 2527.5409 0.0000 0.0000 51858.7285 -109638.1260 298.0328 -161496.8545 -109284.2300 298.7116 -178.9142 -150.2442 761020.8906 15.5848 15.5116 PRESSURE: 1092600 322.749 -60.984 -142.469 -60.9834 -320.814 -102.819 -142.468 -102.819 -206.035 GPRESSURE: 1092600 287.042 -74.3815 -96.161 -119.194 -296.702 -2.82814 -145.473 -53.319 -115.712 PRESSAVG: 1092600 -9.67513 12.2623 -32.9583 12.2623 -2.35031 -14.396 -32.9584 -14.3959 -6.70788 GPRESSAVG: 1092600 -9.689 11.9179 -34.7858 12.7373 -2.6321 -14.687 -31.8281 -12.6013 -6.43411 TIMING: 1092600 CPU: 3459.46, 0.00319778/step Wall: 3459.46, 0.00319778/step, 3.47084 hours remaining, 237.671875 MB of memory in use. ENERGY: 1092600 3997.8760 20595.3279 14591.4233 215.4644 -203603.7109 2683.1886 0.0000 0.0000 51719.0201 -109801.4105 297.2299 -161520.4306 -109445.4332 298.4892 -68.0336 -41.7906 762322.7682 -6.2444 -6.2517 PRESSURE: 1092800 178.614 -95.691 74.5849 -95.6905 163.574 -130.706 74.5858 -130.707 86.6254 GPRESSURE: 1092800 204.738 -185.831 64.7491 -84.1181 161.98 -90.0501 68.5282 -129.632 129.345 PRESSAVG: 1092800 -23.9719 11.0369 -1.22259 11.0369 53.7686 -29.6228 -1.22257 -29.6228 -11.4383 GPRESSAVG: 1092800 -25.0396 10.4553 -1.14309 7.9842 54.2944 -28.5116 -2.64045 -27.8879 -10.4211 TIMING: 1092800 CPU: 3460.09, 0.00316509/step Wall: 3460.09, 0.00316509/step, 3.43518 hours remaining, 237.671875 MB of memory in use. ENERGY: 1092800 3980.2213 20505.7690 14532.4568 236.8133 -203523.7890 2544.5726 0.0000 0.0000 51920.1156 -109803.8404 298.3856 -161723.9560 -109433.7816 298.3708 142.9377 165.3545 760316.5278 6.1195 6.2779 PRESSURE: 1093000 -40.9712 57.7498 162.547 57.7497 84.1766 200.229 162.547 200.229 -211.528 GPRESSURE: 1093000 -9.01349 2.55229 104.875 93.1598 122.467 238.573 204.852 204.511 -196.558 PRESSAVG: 1093000 84.6451 4.60493 -42.1798 4.60495 -86.0313 -21.5964 -42.1798 -21.5964 -2.40599 GPRESSAVG: 1093000 85.9426 5.07007 -43.3352 5.33758 -86.7305 -22.4335 -41.4887 -20.7716 -3.05231 TIMING: 1093000 CPU: 3460.73, 0.00316711/step Wall: 3460.73, 0.00316711/step, 3.43719 hours remaining, 237.671875 MB of memory in use. ENERGY: 1093000 3884.8541 20434.8880 14496.8085 270.5195 -202899.9003 2238.8049 0.0000 0.0000 51830.0206 -109744.0047 297.8678 -161574.0253 -109389.3672 298.1982 -56.1074 -27.7017 763446.9683 -1.2641 -1.2800 PRESSURE: 1093200 29.9012 72.4908 -49.8328 72.4912 -372.145 -2.76134 -49.8318 -2.76127 -159.052 GPRESSURE: 1093200 -18.5757 -56.283 3.56989 30.9191 -290.527 30.4728 74.3221 -133.759 -110.579 PRESSAVG: 1093200 27.8312 -32.531 24.5224 -32.531 -83.4543 -18.1365 24.5224 -18.1366 -3.33303 GPRESSAVG: 1093200 27.3731 -34.5408 26.0314 -28.9981 -83.2511 -16.5436 23.8804 -22.5771 -2.86014 TIMING: 1093200 CPU: 3461.36, 0.00318504/step Wall: 3461.36, 0.00318504/step, 3.45647 hours remaining, 237.671875 MB of memory in use. ENERGY: 1093200 4009.6435 20406.1234 14510.6497 252.0842 -203407.7519 2595.6966 0.0000 0.0000 51934.8662 -109698.6884 298.4704 -161633.5546 -109340.6450 297.9974 -167.0986 -139.8938 763373.7596 -19.6520 -19.5794 PRESSURE: 1093400 260.367 -108.068 -58.4725 -108.068 802.918 -28.086 -58.4721 -28.0861 -189.751 GPRESSURE: 1093400 366.996 8.29759 -34.0378 -136.658 684.46 -5.77837 -117.849 -25.5502 -92.539 PRESSAVG: 1093400 27.2949 -34.2875 19.1302 -34.2875 -21.6394 -7.511 19.1302 -7.51092 -34.3089 GPRESSAVG: 1093400 28.3899 -31.1479 19.4798 -39.6518 -22.0971 -8.37965 20.6959 -4.54505 -34.7417 TIMING: 1093400 CPU: 3462, 0.00318549/step Wall: 3462, 0.00318549/step, 3.45679 hours remaining, 237.671875 MB of memory in use. ENERGY: 1093400 3925.3939 20544.6696 14475.8669 242.4526 -204083.9389 2931.7998 0.0000 0.0000 52076.9853 -109886.7708 299.2872 -161963.7561 -109521.1749 298.0507 291.1782 319.6388 760797.1178 -9.5511 -9.4830 PRESSURE: 1093600 120.092 -29.6978 286.898 -29.6982 -76.9982 -184.032 286.897 -184.032 103.588 GPRESSURE: 1093600 177.045 29.8475 315.604 2.57547 -36.5103 -148.175 47.0651 -170.025 103.846 PRESSAVG: 1093600 -8.51054 32.9358 9.02955 32.9358 -19.0188 4.51581 9.02955 4.51577 8.90216 GPRESSAVG: 1093600 -8.07513 31.072 9.58721 37.2867 -19.7952 4.6863 6.17675 1.41999 9.09295 TIMING: 1093600 CPU: 3462.64, 0.00318322/step Wall: 3462.64, 0.00318322/step, 3.45415 hours remaining, 237.671875 MB of memory in use. ENERGY: 1093600 3994.9790 20389.9393 14414.3967 268.5519 -203497.0037 2546.4947 0.0000 0.0000 52143.6463 -109738.9957 299.6703 -161882.6421 -109380.8846 298.3962 48.8938 81.4604 759681.6811 -6.2091 -6.2591 PRESSURE: 1093800 -73.2181 -291.692 3.41277 -291.692 -4.36315 40.3154 3.41317 40.3161 -166.248 GPRESSURE: 1093800 -1.57301 -273.031 -62.3268 -288.089 76.4699 32.3517 12.7513 -83.1981 -228.769 PRESSAVG: 1093800 27.6827 -5.0636 5.20351 -5.06358 -37.9348 0.0535376 5.20347 0.0535592 -8.24573 GPRESSAVG: 1093800 26.4731 -4.64641 4.02112 -5.32087 -36.5957 -0.289504 6.89102 2.14729 -9.00889 TIMING: 1093800 CPU: 3463.27, 0.00318497/step Wall: 3463.27, 0.00318497/step, 3.45587 hours remaining, 237.671875 MB of memory in use. ENERGY: 1093800 3960.0097 20441.4023 14519.7612 248.0310 -203507.2004 2550.3675 0.0000 0.0000 51932.3764 -109855.2522 298.4561 -161787.6287 -109499.3576 298.7283 -81.2763 -51.2908 759669.1410 -6.1659 -6.3772 PRESSURE: 1094000 144.981 -9.56319 123.361 -9.56323 -85.67 -65.2388 123.362 -65.2387 -1.84518 GPRESSURE: 1094000 207.97 -17.027 100.902 -4.67314 -65.3468 -94.9556 200.866 26.5025 0.466737 PRESSAVG: 1094000 29.6882 10.4163 -13.48 10.4163 -19.124 -7.31041 -13.48 -7.31041 13.9724 GPRESSAVG: 1094000 29.5284 10.159 -14.6777 10.3519 -19.7354 -6.77213 -14.2988 -7.28306 14.0181 TIMING: 1094000 CPU: 3463.91, 0.00316528/step Wall: 3463.91, 0.00316528/step, 3.43433 hours remaining, 237.671875 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: 1094000 3966.4921 20350.6363 14493.6909 257.2419 -203467.5261 2507.9201 0.0000 0.0000 52360.7578 -109530.7871 300.9180 -161891.5448 -109169.3381 298.6816 19.1552 47.6967 761117.0645 8.1789 7.9370 PRESSURE: 1094200 -309.122 94.627 -89.44 94.6274 -98.9584 -140.766 -89.44 -140.766 -187.435 GPRESSURE: 1094200 -275.928 17.2907 -122.36 29.5796 -48.4656 -96.2918 -179.472 -32.5828 -195.871 PRESSAVG: 1094200 60.1631 12.0528 -3.83332 12.0528 -28.942 -46.7526 -3.83329 -46.7527 16.4584 GPRESSAVG: 1094200 60.5414 11.5939 -2.12726 12.1143 -28.6193 -46.7121 -3.46232 -46.6454 15.5402 TIMING: 1094200 CPU: 3464.54, 0.00319079/step Wall: 3464.54, 0.00319079/step, 3.46183 hours remaining, 237.671875 MB of memory in use. ENERGY: 1094200 4030.5601 20521.3578 14434.0825 250.6847 -203460.5518 2567.1541 0.0000 0.0000 52299.6852 -109357.0274 300.5670 -161656.7126 -108997.2142 299.5072 -198.5052 -173.4216 762235.3958 15.8932 15.8208 PRESSURE: 1094400 -177.071 -16.5714 -6.62679 -16.5715 -534.498 27.8403 -6.62672 27.8406 -161.448 GPRESSURE: 1094400 -64.6386 79.7165 92.6136 21.7031 -475.845 96.0969 -0.447183 7.57584 -234.832 PRESSAVG: 1094400 31.9569 -27.5102 14.4366 -27.5102 -1.97462 2.37178 14.4366 2.37167 -19.1903 GPRESSAVG: 1094400 30.8944 -27.7166 13.9384 -28.3363 -0.577655 0.646225 14.6373 1.97069 -19.5209 TIMING: 1094400 CPU: 3465.18, 0.00318636/step Wall: 3465.18, 0.00318636/step, 3.45684 hours remaining, 237.671875 MB of memory in use. ENERGY: 1094400 4005.1223 20335.8609 14449.8969 253.5077 -202916.8940 2291.7299 0.0000 0.0000 52087.7995 -109492.9768 299.3493 -161580.7762 -109122.5862 299.5269 -291.0055 -258.4386 761795.3558 3.5973 3.5986 PRESSURE: 1094600 -190.414 -90.7803 -298.51 -90.7808 -304.934 89.8278 -298.51 89.8276 61.7476 GPRESSURE: 1094600 -194.076 -38.9612 -164.651 -135.678 -260.536 -19.3322 -202.009 105.918 99.9209 PRESSAVG: 1094600 -26.1753 -60.2086 -32.8449 -60.2085 -0.00976312 10.3371 -32.8449 10.3371 -21.4173 GPRESSAVG: 1094600 -25.6973 -58.7428 -33.3514 -61.0276 -0.652805 12.2276 -31.6696 11.0314 -20.8017 TIMING: 1094600 CPU: 3465.82, 0.00319513/step Wall: 3465.82, 0.00319513/step, 3.46619 hours remaining, 237.671875 MB of memory in use. ENERGY: 1094600 4026.1398 20492.7000 14569.5632 237.9428 -203013.6327 2406.0798 0.0000 0.0000 51967.5992 -109313.6079 298.6585 -161281.2071 -108958.2958 298.9614 -144.5334 -118.2306 760381.8323 -15.8674 -15.7173 PRESSURE: 1094800 -212.994 42.4363 -144.842 42.4368 157.195 -89.954 -144.841 -89.9548 -62.2108 GPRESSURE: 1094800 -131.846 98.0146 -149.52 -24.4275 120.859 11.3897 -163.539 -143.522 -57.4635 PRESSAVG: 1094800 34.2665 9.91731 -34.7617 9.91729 20.0585 33.5774 -34.7617 33.5773 23.0068 GPRESSAVG: 1094800 32.8674 12.1187 -35.9363 10.2308 19.6039 34.2049 -35.4268 30.4717 24.7647 TIMING: 1094800 CPU: 3466.46, 0.0031847/step Wall: 3466.46, 0.00318471/step, 3.4547 hours remaining, 237.671875 MB of memory in use. ENERGY: 1094800 3963.0813 20432.2897 14518.9038 243.8450 -203014.9429 2394.1913 0.0000 0.0000 52029.3700 -109433.2618 299.0135 -161462.6318 -109064.9804 299.7118 -39.3364 -22.8169 761029.8338 25.7772 25.7454 PRESSURE: 1095000 -165.923 105.807 42.2142 105.807 -176.117 191.47 42.2142 191.47 137.844 GPRESSURE: 1095000 -86.1941 80.2389 9.49115 17.0578 -43.8555 261.343 65.1317 326.889 20.4647 PRESSAVG: 1095000 32.3631 34.857 -4.91955 34.857 -43.8393 42.5309 -4.91956 42.5308 3.08023 GPRESSAVG: 1095000 32.3597 34.2656 -3.31832 35.7107 -42.7922 41.8669 -4.43057 45.2646 1.58815 TIMING: 1095000 CPU: 3467.09, 0.00317654/step Wall: 3467.09, 0.00317654/step, 3.44566 hours remaining, 237.671875 MB of memory in use. ENERGY: 1095000 3967.3282 20581.9914 14549.6772 258.1054 -203336.3911 2499.0116 0.0000 0.0000 52151.9670 -109328.3102 299.7181 -161480.2772 -108975.6506 299.6703 -68.0653 -36.5283 761151.0627 -2.7987 -2.9481 PRESSURE: 1095200 11.9988 97.0474 72.9175 97.047 256.26 2.90423 72.9174 2.90362 -302.75 GPRESSURE: 1095200 53.4982 105.357 60.0865 63.2127 194.005 -62.3017 7.47946 12.0563 -210.28 PRESSAVG: 1095200 48.7829 52.3008 -9.43307 52.3007 -17.6731 52.3309 -9.43306 52.3309 13.6022 GPRESSAVG: 1095200 49.6748 51.0272 -12.1392 52.5311 -18.1874 52.3127 -8.38098 52.2901 12.9121 TIMING: 1095200 CPU: 3467.73, 0.00318601/step Wall: 3467.73, 0.00318601/step, 3.45576 hours remaining, 237.671875 MB of memory in use. ENERGY: 1095200 3920.5596 20607.1181 14527.2457 259.1653 -203373.5049 2525.1105 0.0000 0.0000 52118.1937 -109416.1121 299.5240 -161534.3057 -109047.8681 298.9662 -11.4970 12.4079 760879.8950 14.9040 14.7998 PRESSURE: 1095400 -363.73 46.7353 -189.817 46.7348 131.67 -15.0459 -189.816 -15.0456 64.5959 GPRESSURE: 1095400 -253.841 25.9511 -173.754 82.4371 154.982 -115.578 -142.851 130.342 -7.54851 PRESSAVG: 1095400 -16.9474 12.0146 -26.4048 12.0146 -1.24085 13.4554 -26.4048 13.4554 -25.0417 GPRESSAVG: 1095400 -17.0399 12.1674 -24.0234 12.2711 -1.85535 12.3841 -29.4142 15.0967 -24.5931 TIMING: 1095400 CPU: 3468.37, 0.00321195/step Wall: 3468.37, 0.00321195/step, 3.48371 hours remaining, 237.671875 MB of memory in use. ENERGY: 1095400 3979.4171 20646.2727 14430.8923 250.0960 -203450.0203 2533.7243 0.0000 0.0000 52084.4394 -109525.1786 299.3300 -161609.6180 -109160.4780 299.0559 -55.8215 -35.4693 759410.9616 -14.4100 -14.4961 PRESSURE: 1095600 1.68175 -66.9168 -180.225 -66.9169 275.799 -148.496 -180.225 -148.496 -108.302 GPRESSURE: 1095600 44.2364 28.9838 -134.877 16.289 290.41 -153.416 -81.1917 -44.4596 -87.877 PRESSAVG: 1095600 -3.50486 -12.1038 -51.5113 -12.1038 21.0389 -4.28434 -51.5113 -4.28427 -23.8371 GPRESSAVG: 1095600 -3.38761 -10.8021 -51.8043 -14.0699 20.1907 -3.89373 -50.0938 -4.87511 -23.505 TIMING: 1095600 CPU: 3469.01, 0.00318922/step Wall: 3469.01, 0.00318922/step, 3.45889 hours remaining, 237.671875 MB of memory in use. ENERGY: 1095600 3974.4048 20675.2208 14448.7940 233.6780 -203044.0892 2540.1996 0.0000 0.0000 51898.9559 -109272.8361 298.2640 -161171.7920 -108913.8948 299.4122 56.3928 82.2566 761913.8716 -2.1010 -2.2340 PRESSURE: 1095800 -234.611 49.4465 -144.901 49.4468 -99.3228 -59.5262 -144.901 -59.5261 -265.061 GPRESSURE: 1095800 -202.824 99.0596 -134.896 -6.27018 -60.1554 42.1555 -145.077 14.5007 -243.435 PRESSAVG: 1095800 -16.9861 23.1582 -32.9904 23.1581 -33.9895 -47.8581 -32.9905 -47.8581 11.1902 GPRESSAVG: 1095800 -17.7087 21.5916 -32.8502 27.1244 -33.2119 -46.5173 -32.4453 -46.8929 11.4387 TIMING: 1095800 CPU: 3469.64, 0.00316953/step Wall: 3469.64, 0.00316953/step, 3.43736 hours remaining, 237.671875 MB of memory in use. ENERGY: 1095800 4052.0128 20648.5814 14412.3814 249.0718 -202712.3600 2257.0791 0.0000 0.0000 51976.5182 -109116.7154 298.7098 -161093.2336 -108752.4193 299.7881 -199.6648 -168.8048 760894.0732 -13.2618 -13.1606 PRESSURE: 1096000 183.426 164.597 -224.82 164.599 167.283 -161.767 -224.819 -161.768 -169.843 GPRESSURE: 1096000 140.002 87.9822 -219.446 79.1123 258.95 -138.831 -186.727 -132.885 -138.371 PRESSAVG: 1096000 -11.4848 34.5025 -60.2281 34.5026 10.3096 -17.6953 -60.2281 -17.6953 -20.7345 GPRESSAVG: 1096000 -11.4335 33.9571 -60.8565 31.3502 11.5398 -19.3528 -60.2833 -17.4515 -22.6382 TIMING: 1096000 CPU: 3470.28, 0.00315976/step Wall: 3470.28, 0.00315976/step, 3.42659 hours remaining, 237.671875 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: 1096000 3929.4397 20604.4581 14495.2858 241.6558 -202948.0997 2568.9072 0.0000 0.0000 52035.3186 -109073.0345 299.0477 -161108.3531 -108711.8998 299.5082 60.2886 86.8604 760897.1576 -7.3032 -7.5106 PRESSURE: 1096200 97.495 -31.0366 43.7514 -31.0357 369.34 25.4431 43.751 25.4433 639.552 GPRESSURE: 1096200 214.409 24.0801 -10.1778 -10.4275 368.159 -13.0118 71.5492 88.4048 626.203 PRESSAVG: 1096200 -5.96784 -32.7247 -49.5811 -32.7247 64.2926 -15.6608 -49.5811 -15.6608 26.1068 GPRESSAVG: 1096200 -5.03421 -32.6679 -49.6042 -34.6482 61.7859 -15.0441 -48.6077 -17.4173 27.4062 TIMING: 1096200 CPU: 3470.91, 0.00317293/step Wall: 3470.91, 0.00317293/step, 3.44069 hours remaining, 237.671875 MB of memory in use. ENERGY: 1096200 3983.0657 20698.2252 14457.9952 227.9059 -203055.2699 2831.0372 0.0000 0.0000 51854.1240 -109002.9167 298.0064 -160857.0406 -108651.1078 300.1975 368.7957 402.9236 760365.2437 28.1438 28.0527 LDB: ============= START OF LOAD BALANCING ============== 3483.37 LDB: ============== END OF LOAD BALANCING =============== 3483.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3483.37 LDB: ============= START OF LOAD BALANCING ============== 3483.69 LDB: Largest compute 7068 load 0.037443 is 19.2% of average load 0.195254 LDB: Average compute 0.004413 is 2.3% of average load 0.195254 LDB: TIME 3483.69 LOAD: AVG 0.195254 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.234 MB LDB: TIME 3483.69 LOAD: AVG 0.195254 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.438 MB LDB: TIME 3483.69 LOAD: AVG 0.195254 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.438 MB LDB: ============== END OF LOAD BALANCING =============== 3483.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3483.7 PRESSURE: 1096400 164.487 -11.2102 -19.8809 -11.211 97.411 -40.8189 -19.8802 -40.8195 17.1961 GPRESSURE: 1096400 208.621 -55.8227 -29.0415 2.16045 144.734 -145.796 -75.6344 24.6441 7.60788 PRESSAVG: 1096400 -6.10141 46.9657 -27.9269 46.9657 35.2333 -100.629 -27.9269 -100.629 -7.23513 GPRESSAVG: 1096400 -6.16177 47.1822 -28.7294 50.0474 36.2749 -102.076 -27.247 -101.759 -7.63485 TIMING: 1096400 CPU: 3471.56, 0.00326208/step Wall: 3471.56, 0.00326208/step, 3.53719 hours remaining, 238.683594 MB of memory in use. ENERGY: 1096400 3955.3302 20496.6259 14435.5049 247.1424 -203394.6378 2677.7272 0.0000 0.0000 52317.6654 -109264.6419 300.6703 -161582.3073 -108897.8942 299.7738 93.0315 120.3210 761184.3792 7.2989 7.4928 PRESSURE: 1096600 11.0837 27.0841 -33.5489 27.0839 3.4042 -22.7032 -33.5491 -22.704 39.6324 GPRESSURE: 1096600 13.7077 -92.2119 -61.757 -41.396 -38.6911 -54.3047 -60.3584 28.547 137.778 PRESSAVG: 1096600 35.7723 12.9316 -6.08538 12.9315 -1.03909 -22.4428 -6.08539 -22.4428 2.60452 GPRESSAVG: 1096600 35.9501 10.9122 -3.89594 10.8243 -2.25964 -20.0144 -8.19111 -21.2239 3.04345 TIMING: 1096600 CPU: 3472.2, 0.0031871/step Wall: 3472.2, 0.0031871/step, 3.4557 hours remaining, 238.683594 MB of memory in use. ENERGY: 1096600 4023.0913 20669.2056 14485.2742 246.3280 -203300.4740 2554.2353 0.0000 0.0000 52036.5991 -109285.7405 299.0550 -161322.3396 -108927.6800 299.8758 18.0401 37.5983 761541.8759 12.4459 12.2446 PRESSURE: 1096800 319.403 -133.952 -162.513 -133.952 45.8424 -76.4262 -162.513 -76.425 -336.137 GPRESSURE: 1096800 292.491 -102.885 -182.514 -148.311 114.734 -87.0982 -54.222 -27.8013 -282.162 PRESSAVG: 1096800 24.9784 -34.4194 -0.213927 -34.4194 -41.0636 21.9345 -0.214 21.9345 31.4179 GPRESSAVG: 1096800 25.3488 -32.4188 -0.372926 -33.7975 -42.1784 19.4425 -0.495416 24.6704 31.859 TIMING: 1096800 CPU: 3472.84, 0.00318946/step Wall: 3472.84, 0.00318946/step, 3.45808 hours remaining, 238.683594 MB of memory in use. ENERGY: 1096800 3985.2685 20580.8426 14420.7210 247.5125 -203368.9606 2796.4858 0.0000 0.0000 51998.6124 -109339.5179 298.8367 -161338.1303 -108985.3896 299.5119 9.7028 41.6874 763126.9940 5.1109 5.0098 PRESSURE: 1097000 456.952 -19.0165 -139.773 -19.0161 -284.482 217.241 -139.773 217.241 75.2768 GPRESSURE: 1097000 444.243 5.68518 -160.589 10.0906 -209.242 158.88 -203.72 55.8202 101.707 PRESSAVG: 1097000 -20.2494 -0.763825 -25.8592 -0.763864 33.8382 -16.434 -25.8592 -16.434 -23.4789 GPRESSAVG: 1097000 -20.0506 -1.7292 -24.7646 -2.51529 35.3378 -15.223 -25.183 -19.1594 -25.1119 TIMING: 1097000 CPU: 3473.48, 0.00318662/step Wall: 3473.48, 0.00318662/step, 3.45482 hours remaining, 238.683594 MB of memory in use. ENERGY: 1097000 4003.5543 20618.8714 14466.3356 259.7918 -203507.4862 2834.8289 0.0000 0.0000 51994.6780 -109329.4262 298.8141 -161324.1042 -108967.4684 298.9978 82.5822 112.2357 762316.1198 -3.2967 -3.2749 PRESSURE: 1097200 -348.714 133.184 -295.172 133.185 36.0372 -17.4381 -295.171 -17.4378 -26.7961 GPRESSURE: 1097200 -307.503 136.19 -245.431 43.6683 68.6113 91.9401 -227.78 -67.9876 -37.3444 PRESSAVG: 1097200 -20.8583 -68.1256 -20.1295 -68.1256 2.77027 -35.1273 -20.1295 -35.1274 -6.27114 GPRESSAVG: 1097200 -21.0816 -67.6846 -22.788 -67.6566 1.37767 -35.2993 -18.9631 -35.7351 -4.52046 TIMING: 1097200 CPU: 3474.11, 0.0031787/step Wall: 3474.11, 0.0031787/step, 3.44606 hours remaining, 238.683594 MB of memory in use. ENERGY: 1097200 3956.4069 20606.2385 14480.6452 241.7916 -203472.4339 2509.9094 0.0000 0.0000 51906.1179 -109771.3244 298.3052 -161677.4423 -109415.1799 298.8883 -113.1575 -92.0786 760829.5237 -8.1197 -8.0748 PRESSURE: 1097400 273.639 -127.829 -95.0209 -127.83 10.7535 100.252 -95.0202 100.253 101.574 GPRESSURE: 1097400 288.48 -181.099 -134.537 60.8521 69.981 144.641 -81.5873 134.779 91.4557 PRESSAVG: 1097400 -17.0047 -3.40286 -61.7063 -3.40284 31.1682 28.1213 -61.7064 28.1213 12.3757 GPRESSAVG: 1097400 -17.7052 -2.09656 -60.3716 -3.41491 33.2807 29.8178 -64.0724 27.9734 11.329 TIMING: 1097400 CPU: 3474.75, 0.00317588/step Wall: 3474.75, 0.00317588/step, 3.44283 hours remaining, 238.683594 MB of memory in use. ENERGY: 1097400 3952.5271 20652.0068 14453.5078 252.0533 -203250.2998 2537.5997 0.0000 0.0000 51749.7681 -109652.8369 297.4066 -161402.6050 -109289.8260 298.6533 128.6556 149.9722 760883.9386 8.8464 8.9682 PRESSURE: 1097600 120.666 51.4037 -30.6472 51.403 -6.98235 -105.823 -30.6479 -105.824 414.541 GPRESSURE: 1097600 223.527 69.4014 -87.0967 -31.4459 -15.8662 -171.371 6.61664 -29.5709 397.823 PRESSAVG: 1097600 20.2509 3.26416 -26.2814 3.26415 -46.4762 -32.7808 -26.2814 -32.7808 9.28845 GPRESSAVG: 1097600 21.1199 0.568199 -26.4133 5.18723 -48.4441 -33.9654 -24.2703 -31.1733 10.3228 TIMING: 1097600 CPU: 3475.38, 0.00317587/step Wall: 3475.38, 0.00317587/step, 3.44265 hours remaining, 238.683594 MB of memory in use. ENERGY: 1097600 3970.5087 20312.3236 14525.6579 251.9485 -203576.4628 2741.7139 0.0000 0.0000 51999.1817 -109775.1286 298.8400 -161774.3103 -109418.9510 298.3979 176.0751 201.8279 760492.6162 -5.6456 -5.6671 PRESSURE: 1097800 166.759 94.978 -19.8943 94.9788 -55.2615 20.2766 -19.8946 20.2761 76.0798 GPRESSURE: 1097800 239.487 60.4562 -61.4858 75.7931 3.43151 102.893 -33.5647 15.8924 39.3284 PRESSAVG: 1097800 32.3895 -15.0766 -54.916 -15.0765 -14.5507 1.49629 -54.916 1.49632 -21.2675 GPRESSAVG: 1097800 31.847 -12.6428 -56.1275 -15.4734 -13.2654 4.18735 -55.7957 -1.94228 -21.3886 TIMING: 1097800 CPU: 3476.02, 0.00319603/step Wall: 3476.02, 0.00319603/step, 3.46432 hours remaining, 238.683594 MB of memory in use. ENERGY: 1097800 4014.7764 20377.8991 14454.5088 241.5533 -203224.6997 2518.5662 0.0000 0.0000 51934.0905 -109683.3054 298.4659 -161617.3959 -109313.9317 298.5175 62.5259 94.0822 761915.2366 -1.1429 -0.9357 PRESSURE: 1098000 -5.43865 235.698 92.5646 235.698 -193.833 56.505 92.5653 56.5054 -322.601 GPRESSURE: 1098000 32.1075 152.581 95.1271 124.598 -142.044 39.1016 0.744287 139.26 -323.069 PRESSAVG: 1098000 26.5883 1.58064 -41.9144 1.58072 -10.4855 -27.8758 -41.9144 -27.8758 18.6093 GPRESSAVG: 1098000 26.3582 0.796467 -43.8168 3.50161 -9.97789 -31.1452 -42.0607 -25.6698 18.1033 TIMING: 1098000 CPU: 3476.65, 0.00316146/step Wall: 3476.65, 0.00316146/step, 3.42667 hours remaining, 238.683594 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: 1098000 4094.4123 20438.2918 14478.0611 253.2205 -203410.4637 2484.3508 0.0000 0.0000 51971.4684 -109690.6587 298.6807 -161662.1272 -109319.4370 298.4906 -173.9577 -144.3353 762697.0367 11.5707 11.4946 PRESSURE: 1098200 11.8249 -21.1656 -204.952 -21.1662 -437.191 100.819 -204.951 100.82 -65.3766 GPRESSURE: 1098200 15.9326 -86.505 -197.911 57.5562 -344.368 168.282 -75.2858 -23.3956 -103.4 PRESSAVG: 1098200 -19.7568 -17.0032 9.6621 -17.0032 22.77 3.73672 9.66207 3.73675 2.75286 GPRESSAVG: 1098200 -19.2587 -17.5693 11.1789 -19.2706 21.9546 6.36632 9.94022 0.87829 2.64486 TIMING: 1098200 CPU: 3477.29, 0.0031835/step Wall: 3477.29, 0.0031835/step, 3.45038 hours remaining, 238.683594 MB of memory in use. ENERGY: 1098200 3969.9014 20460.0162 14442.7321 253.9016 -203491.7940 2613.8155 0.0000 0.0000 52270.2201 -109481.2071 300.3977 -161751.4272 -109113.0715 298.8441 -163.5810 -143.9449 761690.6076 1.9220 1.7802 PRESSURE: 1098400 -53.0171 -10.8901 -212.591 -10.889 -296.035 226.347 -212.591 226.348 166.334 GPRESSURE: 1098400 -60.2151 51.9805 -218.763 36.4581 -133.858 93.337 -113.705 316.916 77.5459 PRESSAVG: 1098400 -36.4566 -12.7745 -63.6304 -12.7745 -27.5596 22.3795 -63.6305 22.3795 6.31907 GPRESSAVG: 1098400 -37.448 -11.6565 -63.2216 -13.3488 -26.4592 20.8354 -63.446 24.8729 5.78583 TIMING: 1098400 CPU: 3477.92, 0.00314856/step Wall: 3477.92, 0.00314856/step, 3.41234 hours remaining, 238.683594 MB of memory in use. ENERGY: 1098400 3936.3519 20534.4406 14482.2734 241.3662 -203092.3782 2509.0937 0.0000 0.0000 51839.1648 -109549.6877 297.9204 -161388.8525 -109194.2212 298.5252 -60.9059 -38.8423 762852.4254 -19.2324 -19.3738 PRESSURE: 1098600 67.9295 61.7027 153.049 61.7042 -37.0544 -155.606 153.048 -155.606 430.533 GPRESSURE: 1098600 154.461 135.901 266.205 38.4075 -23.8574 -85.0677 100.55 -29.0379 427.184 PRESSAVG: 1098600 41.1221 -39.3923 -48.0325 -39.3923 -46.233 16.8869 -48.0325 16.8868 2.41281 GPRESSAVG: 1098600 41.3465 -39.3716 -46.9051 -37.5534 -46.2608 15.9058 -49.3981 17.2291 2.36641 TIMING: 1098600 CPU: 3478.55, 0.00316145/step Wall: 3478.55, 0.00316145/step, 3.42613 hours remaining, 238.683594 MB of memory in use. ENERGY: 1098600 3884.7140 20469.1670 14551.5433 252.4319 -203456.9602 2892.8415 0.0000 0.0000 51771.8072 -109634.4553 297.5333 -161406.2626 -109280.2762 298.6336 153.8027 185.9291 761897.3232 -0.8994 -0.8493 PRESSURE: 1098800 -23.9011 25.4866 -4.72807 25.4871 -45.5761 -118.666 -4.72841 -118.666 -479.376 GPRESSURE: 1098800 43.9579 -46.3249 -14.6982 31.8338 -63.5461 -155.256 0.192557 -28.839 -457.073 PRESSAVG: 1098800 55.4483 1.94607 -14.3068 1.94609 -22.4464 9.00754 -14.3068 9.00752 11.182 GPRESSAVG: 1098800 56.7004 -0.0284901 -16.5338 1.69974 -23.4968 9.18588 -12.2815 10.4127 11.4423 TIMING: 1098800 CPU: 3479.18, 0.0031491/step Wall: 3479.18, 0.0031491/step, 3.41257 hours remaining, 238.683594 MB of memory in use. ENERGY: 1098800 3982.6762 20198.5365 14505.1389 260.6108 -203144.6978 2565.1658 0.0000 0.0000 52120.0740 -109512.4957 299.5348 -161632.5697 -109140.3042 298.2968 -182.9512 -158.8871 764347.4387 14.7280 14.8820 PRESSURE: 1099000 390.745 -51.3617 -23.5834 -51.3618 -23.257 209.646 -23.5831 209.644 163.004 GPRESSURE: 1099000 436.401 164.695 -4.66681 -20.1872 -13.4653 133.169 -5.08723 279.162 194.122 PRESSAVG: 1099000 30.8175 5.02263 41.1469 5.02259 -21.8918 -11.611 41.1469 -11.6111 -8.04722 GPRESSAVG: 1099000 30.4862 5.41993 41.8527 5.63422 -21.9903 -11.6215 39.0013 -11.1659 -7.31624 TIMING: 1099000 CPU: 3479.81, 0.00316254/step Wall: 3479.81, 0.00316254/step, 3.42696 hours remaining, 238.683594 MB of memory in use. ENERGY: 1099000 4053.0966 20338.4192 14475.4399 252.6529 -203438.5554 2828.7029 0.0000 0.0000 52147.2413 -109343.0026 299.6909 -161490.2439 -108971.1389 298.7569 176.8308 205.6861 762490.6721 0.2928 0.3932 PRESSURE: 1099200 386.958 -280.046 298.001 -280.045 343.949 -4.5037 298.001 -4.50394 300.493 GPRESSURE: 1099200 442.509 -164.867 280.076 -234.89 335.31 -25.1956 293.597 -51.8188 336.119 PRESSAVG: 1099200 20.4109 -84.4551 31.5963 -84.4551 -10.1243 31.777 31.5963 31.7771 -15.0288 GPRESSAVG: 1099200 19.6843 -83.4338 32.4604 -84.3905 -10.1347 33.0786 34.0445 29.9841 -14.272 TIMING: 1099200 CPU: 3480.45, 0.00319227/step Wall: 3480.45, 0.00319227/step, 3.459 hours remaining, 238.683594 MB of memory in use. ENERGY: 1099200 3977.6280 20449.6001 14520.9016 242.8391 -203377.2629 2861.2822 0.0000 0.0000 52061.5705 -109263.4413 299.1986 -161325.0118 -108906.2102 298.9088 343.7998 371.3126 761387.0716 -1.5807 -1.5742 PRESSURE: 1099400 -124.783 -131.776 23.7253 -131.777 -68.003 -143.749 23.7255 -143.749 9.91093 GPRESSURE: 1099400 -63.6925 -36.6636 43.0539 -117.991 -4.87381 -8.46538 -38.9316 -67.1345 -50.8589 PRESSAVG: 1099400 33.1036 -9.25012 -5.35861 -9.25013 -18.042 24.9851 -5.35861 24.985 4.92766 GPRESSAVG: 1099400 32.5189 -8.79178 -2.84077 -9.92165 -17.3749 23.3748 -9.40768 26.4642 4.59618 TIMING: 1099400 CPU: 3481.09, 0.00319069/step Wall: 3481.09, 0.00319069/step, 3.45711 hours remaining, 238.683594 MB of memory in use. ENERGY: 1099400 4011.4924 20584.8902 14555.4068 252.3209 -203311.9741 2569.4045 0.0000 0.0000 51844.9300 -109493.5293 297.9535 -161338.4593 -109142.9614 298.7012 -60.9583 -39.8084 760870.8079 6.6631 6.5801 PRESSURE: 1099600 153.112 -74.4668 -69.2958 -74.4664 171.027 74.607 -69.2969 74.6061 144.35 GPRESSURE: 1099600 202.36 -139.311 37.3151 -5.74111 181.076 62.8548 -163.214 214.792 198.242 PRESSAVG: 1099600 100.253 -49.1533 -105.25 -49.1533 -86.541 -21.4876 -105.25 -21.4875 7.12226 GPRESSAVG: 1099600 100.698 -49.8692 -106.892 -49.3836 -86.3317 -20.5638 -104.363 -21.3711 7.28646 TIMING: 1099600 CPU: 3481.72, 0.00316463/step Wall: 3481.72, 0.00316463/step, 3.4287 hours remaining, 238.683594 MB of memory in use. ENERGY: 1099600 3955.0979 20470.2776 14498.6382 251.0648 -203080.4369 2577.0590 0.0000 0.0000 51992.8143 -109335.4851 298.8034 -161328.2994 -108973.9166 298.9699 156.1630 193.8926 761401.3124 6.9447 7.2175 PRESSURE: 1099800 -75.2248 196.321 -299.99 196.32 127.238 -35.9027 -299.99 -35.9031 163.254 GPRESSURE: 1099800 35.9885 99.0065 -280.282 232.007 127.154 57.5337 -224.561 -113.034 128.539 PRESSAVG: 1099800 91.2052 -31.2441 18.2711 -31.2441 -97.7155 2.56517 18.2712 2.5651 7.18581 GPRESSAVG: 1099800 92.2417 -31.0051 16.2789 -31.4799 -99.0724 2.32993 20.1398 0.675824 7.89929 TIMING: 1099800 CPU: 3482.36, 0.00318809/step Wall: 3482.36, 0.0031881/step, 3.45395 hours remaining, 238.683594 MB of memory in use. ENERGY: 1099800 3974.0103 20679.0386 14507.7852 230.6391 -203628.8252 2941.2691 0.0000 0.0000 51946.2240 -109349.8590 298.5357 -161296.0830 -108992.3572 299.0467 71.7555 97.2273 761408.6971 0.2252 0.3562 PRESSURE: 1100000 56.2343 58.1149 331.9 58.1142 -234.164 42.0983 331.9 42.0979 -106.735 GPRESSURE: 1100000 0.853067 74.1949 382.741 52.5679 -146.39 -6.3764 164.606 108.715 -66.9833 PRESSAVG: 1100000 86.2505 -23.0902 9.46084 -23.0902 -93.2207 2.83281 9.46091 2.83284 5.49941 GPRESSAVG: 1100000 84.792 -24.015 10.3978 -22.8388 -90.6244 2.46206 9.05398 2.96124 4.5019 TIMING: 1100000 CPU: 3483, 0.00318249/step Wall: 3483, 0.00318249/step, 3.4477 hours remaining, 238.683594 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: 1100000 3987.3357 20679.4869 14436.9349 261.7245 -203360.0064 2699.9042 0.0000 0.0000 51863.2235 -109431.3968 298.0587 -161294.6203 -109066.8169 299.3683 -94.8882 -70.8402 760831.4723 -0.4902 -0.4435 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100200 -283.056 -403.777 -97.086 -403.778 -101.542 -205.417 -97.0856 -205.417 -332.726 GPRESSURE: 1100200 -209.511 -259.849 -148.868 -246.842 -120.019 -169.797 66.3033 -171.419 -321.73 PRESSAVG: 1100200 7.5257 -20.1998 -50.3854 -20.1998 4.83344 28.5622 -50.3854 28.5621 16.3192 GPRESSAVG: 1100200 7.56871 -18.4733 -51.1129 -20.4183 4.54432 29.2218 -49.7751 28.4514 16.2489 TIMING: 1100200 CPU: 3483.88, 0.00441127/step Wall: 3483.88, 0.00441127/step, 4.77863 hours remaining, 238.683594 MB of memory in use. ENERGY: 1100200 3973.9442 20505.3292 14469.7572 243.7150 -203330.7431 2554.0485 0.0000 0.0000 52100.4618 -109483.4872 299.4221 -161583.9490 -109119.0649 298.6294 -239.1079 -217.0867 764487.4136 9.5594 9.4540 LDB: ============= START OF LOAD BALANCING ============== 3496.34 LDB: ============== END OF LOAD BALANCING =============== 3496.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3496.34 LDB: ============= START OF LOAD BALANCING ============== 3496.66 LDB: Largest compute 7032 load 0.035934 is 18.4% of average load 0.195059 LDB: Average compute 0.004425 is 2.3% of average load 0.195059 LDB: TIME 3496.66 LOAD: AVG 0.195059 MAX 0.213762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.262 MB LDB: TIME 3496.66 LOAD: AVG 0.195059 MAX 0.213762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: TIME 3496.66 LOAD: AVG 0.195059 MAX 0.213762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: ============== END OF LOAD BALANCING =============== 3496.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3496.67 PRESSURE: 1100400 -152.504 -177.643 315.745 -177.643 -143.409 -50.1246 315.745 -50.1242 -93.1672 GPRESSURE: 1100400 -62.9408 -218.905 266.722 -221.447 -139.038 61.6718 433.229 -106.71 -88.8982 PRESSAVG: 1100400 -8.81532 -13.2919 34.0561 -13.2918 -14.1109 -37.1379 34.0561 -37.1379 -10.2516 GPRESSAVG: 1100400 -9.92995 -14.6029 33.1794 -12.526 -12.83 -36.923 35.3837 -37.3374 -10.5278 TIMING: 1100400 CPU: 3484.53, 0.00325876/step Wall: 3484.53, 0.00325876/step, 3.52997 hours remaining, 239.394531 MB of memory in use. ENERGY: 1100400 3998.4844 20483.9440 14474.7385 246.9296 -203237.8648 2513.8861 0.0000 0.0000 52170.8204 -109349.0618 299.8264 -161519.8822 -108997.5839 298.8479 -129.6934 -96.9589 762764.6340 -11.0593 -11.0959 PRESSURE: 1100600 333.322 36.7912 -33.5695 36.792 201.293 144.289 -33.5697 144.289 -187.623 GPRESSURE: 1100600 369.833 -32.0854 -90.9474 -138.043 213.48 154.725 -115.081 199.263 -146.747 PRESSAVG: 1100600 31.5167 0.285684 1.55408 0.285663 -48.2425 5.08356 1.55412 5.08362 -7.04817 GPRESSAVG: 1100600 33.5919 1.64759 1.3957 -2.95812 -50.485 6.41919 -0.574304 2.41588 -7.26987 TIMING: 1100600 CPU: 3485.16, 0.00316143/step Wall: 3485.16, 0.00316143/step, 3.42436 hours remaining, 239.394531 MB of memory in use. ENERGY: 1100600 3981.3572 20488.1234 14514.8822 260.3925 -203534.6064 2756.9364 0.0000 0.0000 52066.2341 -109466.6806 299.2254 -161532.9147 -109100.8491 298.5506 115.6639 145.5221 759948.2598 -7.9246 -8.0543 PRESSURE: 1100800 -102.004 57.582 -58.9883 57.5821 129.306 -128.044 -58.9889 -128.044 -297.398 GPRESSURE: 1100800 -86.3408 85.6854 -105.937 18.6684 124.13 -203.591 97.9927 15.7123 -228.861 PRESSAVG: 1100800 -8.63655 -26.2084 -54.1993 -26.2084 52.418 15.0111 -54.1993 15.0111 8.2609 GPRESSAVG: 1100800 -10.3385 -26.9643 -52.8117 -27.0142 53.4951 12.9867 -54.2019 17.8736 8.99934 TIMING: 1100800 CPU: 3485.8, 0.00316681/step Wall: 3485.8, 0.00316681/step, 3.43 hours remaining, 239.394531 MB of memory in use. ENERGY: 1100800 4054.7235 20530.4385 14429.1157 260.5915 -203545.4920 2598.5495 0.0000 0.0000 52209.9785 -109462.0948 300.0515 -161672.0733 -109102.4021 298.9304 -90.0319 -63.6907 761523.5600 17.3474 17.3853 PRESSURE: 1101000 -310.073 343.21 63.5845 343.209 113.503 -98.4065 63.5841 -98.4062 -24.1354 GPRESSURE: 1101000 -193.56 375.225 56.892 370.492 43.513 -157.047 105.845 -94.0973 3.70891 PRESSAVG: 1101000 37.4295 18.1912 17.7658 18.1912 -1.25019 29.5986 17.7658 29.5985 1.49347 GPRESSAVG: 1101000 37.9518 18.6854 17.3952 17.0966 -0.828566 30.9028 19.3536 29.9035 0.470148 TIMING: 1101000 CPU: 3486.43, 0.00317645/step Wall: 3486.43, 0.00317645/step, 3.44027 hours remaining, 239.394531 MB of memory in use. ENERGY: 1101000 3999.1523 20727.1727 14514.7731 244.5183 -203150.0102 2385.7767 0.0000 0.0000 51923.2596 -109355.3576 298.4037 -161278.6172 -108995.0738 298.7592 -73.5685 -48.7793 762182.9089 12.5576 12.5311 PRESSURE: 1101200 -249.091 -32.0037 267.317 -32.0037 -123.203 53.2845 267.318 53.2855 230.296 GPRESSURE: 1101200 -194.668 -121.95 279.16 -48.5895 -144.212 -2.69507 137.903 -1.09921 288.26 PRESSAVG: 1101200 5.73356 -48.7358 43.812 -48.7359 -47.0222 2.44407 43.8121 2.44401 23.891 GPRESSAVG: 1101200 5.74187 -49.4484 45.1597 -45.8267 -47.7516 2.33603 42.7193 0.820946 25.355 TIMING: 1101200 CPU: 3487.06, 0.00315191/step Wall: 3487.06, 0.00315191/step, 3.41351 hours remaining, 239.394531 MB of memory in use. ENERGY: 1101200 4011.9618 20660.4788 14418.5100 242.7354 -203439.2579 2735.5103 0.0000 0.0000 51823.6673 -109546.3942 297.8313 -161370.0615 -109182.4366 298.6681 -47.3328 -16.8735 762677.3134 -5.7992 -5.5516 PRESSURE: 1101400 -347.323 -35.9928 -217.161 -35.992 63.3374 78.6702 -217.161 78.6704 193.217 GPRESSURE: 1101400 -254.802 -7.62522 -244.501 -26.3686 45.8512 0.475412 -206.69 69.4342 186.706 PRESSAVG: 1101400 12.2152 -35.2339 -2.72735 -35.2339 -4.1401 -36.4888 -2.72741 -36.4888 -2.09905 GPRESSAVG: 1101400 13.8601 -34.4977 -3.81017 -35.0249 -4.50373 -36.8847 -1.85539 -34.6323 -2.91498 TIMING: 1101400 CPU: 3487.69, 0.00315638/step Wall: 3487.69, 0.00315638/step, 3.41818 hours remaining, 239.394531 MB of memory in use. ENERGY: 1101400 3995.6390 20739.8810 14476.7737 246.7815 -203502.8899 2858.2345 0.0000 0.0000 51931.8754 -109253.7048 298.4532 -161185.5802 -108896.6299 298.7506 -30.2561 -7.4151 763483.6566 1.9920 2.1471 PRESSURE: 1101600 -26.4404 -119.404 74.8148 -119.404 67.7521 -84.6499 74.8156 -84.6504 -169.558 GPRESSURE: 1101600 30.4182 -60.4554 152.996 -142.009 154.938 -124.452 202.325 -1.56287 -249.005 PRESSAVG: 1101600 -10.037 -55.6728 18.0867 -55.6728 2.5163 -14.886 18.0868 -14.8861 -12.9729 GPRESSAVG: 1101600 -12.0066 -56.078 17.9044 -58.347 4.58279 -13.3061 17.4406 -17.7454 -12.8671 TIMING: 1101600 CPU: 3488.33, 0.00317308/step Wall: 3488.33, 0.00317308/step, 3.43609 hours remaining, 239.394531 MB of memory in use. ENERGY: 1101600 3977.4737 20580.0786 14437.9355 243.4247 -203951.3871 3027.5052 0.0000 0.0000 52343.2813 -109341.6880 300.8176 -161684.9693 -108978.5631 299.1468 -42.7488 -21.2162 762103.4344 -6.8312 -6.7637 PRESSURE: 1101800 -197.152 -23.3834 183.395 -23.3836 -18.7824 -71.4898 183.395 -71.489 -145.991 GPRESSURE: 1101800 -252.646 -44.3187 212.033 3.88824 -36.3521 -26.3714 300.096 56.8055 -11.9134 PRESSAVG: 1101800 4.96373 -32.4526 57.6646 -32.4525 -15.3534 27.1927 57.6646 27.1927 -9.70257 GPRESSAVG: 1101800 5.55248 -31.2781 58.5519 -29.3047 -15.4472 27.2291 56.9379 27.9581 -10.363 TIMING: 1101800 CPU: 3488.96, 0.00316893/step Wall: 3488.96, 0.00316893/step, 3.43143 hours remaining, 239.394531 MB of memory in use. ENERGY: 1101800 3934.0875 20697.4040 14486.0563 242.3250 -203493.3280 2516.9680 0.0000 0.0000 52057.9530 -109558.5342 299.1778 -161616.4872 -109194.0360 299.3464 -120.6419 -100.3038 759896.9039 -6.6974 -6.7526 PRESSURE: 1102000 -446.203 -19.913 58.9893 -19.9131 -191.517 -208.021 58.9899 -208.02 -352.037 GPRESSURE: 1102000 -360.144 29.706 96.9762 6.4049 -141.436 -131.685 77.8955 -222.659 -414.061 PRESSAVG: 1102000 -75.6723 -27.3144 -23.9906 -27.3143 98.4088 36.5733 -23.9907 36.5733 14.7759 GPRESSAVG: 1102000 -74.8463 -29.5355 -26.3761 -27.2079 97.155 35.0492 -23.8644 36.5314 15.7508 TIMING: 1102000 CPU: 3489.6, 0.00316886/step Wall: 3489.6, 0.00316886/step, 3.43117 hours remaining, 239.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 4062.4003 20513.7985 14512.0098 243.3411 -203141.3856 2430.2741 0.0000 0.0000 51778.4158 -109601.1460 297.5713 -161379.5618 -109247.9800 298.7494 -329.9191 -305.2136 763995.1215 12.5041 12.6865 PRESSURE: 1102200 262.886 31.9627 -150.394 31.963 189.895 92.1807 -150.394 92.1804 83.2021 GPRESSURE: 1102200 244.147 80.3609 -171.361 2.40075 290.385 17.4846 -79.9892 23.4164 95.6084 PRESSAVG: 1102200 0.242723 0.516171 -1.82061 0.516135 19.6218 -0.993423 -1.82063 -0.993385 0.235108 GPRESSAVG: 1102200 0.206183 0.975257 0.366979 -0.695097 19.8721 -0.911148 -0.75458 -0.88058 0.119429 TIMING: 1102200 CPU: 3490.23, 0.00317056/step Wall: 3490.23, 0.00317056/step, 3.43284 hours remaining, 239.394531 MB of memory in use. ENERGY: 1102200 3964.4195 20438.7429 14492.6447 257.1521 -203519.0707 2792.5316 0.0000 0.0000 52128.6759 -109444.9041 299.5842 -161573.5800 -109064.4529 298.8037 178.6609 210.0469 762169.4123 6.6999 6.7326 PRESSURE: 1102400 -225.21 17.2183 111.583 17.2187 -64.9434 -98.9938 111.583 -98.9931 104.011 GPRESSURE: 1102400 -124.296 32.4587 142.947 -3.95933 -126.469 -78.9597 25.5999 -62.5901 151.311 PRESSAVG: 1102400 -6.3496 -68.2741 15.4225 -68.2741 1.24538 24.2938 15.4224 24.2938 7.02043 GPRESSAVG: 1102400 -6.73556 -68.0319 15.2154 -68.0929 1.37067 23.9581 14.7987 25.9487 6.68811 TIMING: 1102400 CPU: 3490.87, 0.00318173/step Wall: 3490.87, 0.00318173/step, 3.44475 hours remaining, 239.394531 MB of memory in use. ENERGY: 1102400 4047.7126 20585.5301 14482.4464 263.1177 -203743.3781 2982.6728 0.0000 0.0000 52065.9070 -109315.9916 299.2235 -161381.8986 -108951.9448 299.5740 -62.0476 -33.1514 762999.9281 0.6387 0.4411 PRESSURE: 1102600 204.248 -164.646 -171.555 -164.643 182.111 -182.729 -171.556 -182.73 -235.693 GPRESSURE: 1102600 245.756 -157.164 -89.6622 -126.482 192.828 -196.029 -120.57 -27.3159 -200.122 PRESSAVG: 1102600 -9.25342 -52.552 -21.2039 -52.552 7.35028 21.2894 -21.2039 21.2894 5.63734 GPRESSAVG: 1102600 -9.67477 -52.5342 -20.8967 -53.2318 6.5461 22.7364 -21.2185 19.9583 6.41797 TIMING: 1102600 CPU: 3491.5, 0.00315755/step Wall: 3491.5, 0.00315755/step, 3.41839 hours remaining, 239.394531 MB of memory in use. ENERGY: 1102600 3960.5035 20542.2256 14490.6791 241.0962 -203627.5819 2903.7458 0.0000 0.0000 52219.9267 -109269.4049 300.1086 -161489.3316 -108892.9359 299.4215 50.2222 79.4873 763290.0705 1.2447 1.0964 PRESSURE: 1102800 215.669 -58.6229 -119.583 -58.6217 -62.4249 114.441 -119.584 114.44 34.3784 GPRESSURE: 1102800 256.871 30.6247 -199.435 62.2591 10.594 65.5456 -146.496 28.2149 -4.15316 PRESSAVG: 1102800 -22.3532 -27.3106 -14.1656 -27.3106 17.3869 -14.3439 -14.1656 -14.3439 5.15988 GPRESSAVG: 1102800 -22.4557 -26.4677 -14.1919 -29.1142 17.1079 -15.3221 -15.4503 -13.9442 5.27287 TIMING: 1102800 CPU: 3492.13, 0.00317071/step Wall: 3492.13, 0.00317071/step, 3.43247 hours remaining, 239.394531 MB of memory in use. ENERGY: 1102800 4016.1929 20402.8989 14498.0430 239.8392 -203339.6602 2615.7636 0.0000 0.0000 52245.8653 -109321.0574 300.2577 -161566.9227 -108957.8708 298.9412 62.5410 87.7708 763438.9398 0.0645 -0.0250 PRESSURE: 1103000 191.795 -221.862 25.7546 -221.861 221.161 11.5789 25.7549 11.5785 223.218 GPRESSURE: 1103000 219.091 -134.226 111.106 -190.439 215.93 68.1316 64.102 140.316 266.577 PRESSAVG: 1103000 22.687 -60.9831 46.5129 -60.9831 -55.0639 -14.0186 46.5129 -14.0186 13.4938 GPRESSAVG: 1103000 23.132 -61.9379 45.337 -59.7563 -54.5808 -14.5069 48.8882 -11.7607 12.5952 TIMING: 1103000 CPU: 3492.77, 0.00319246/step Wall: 3492.77, 0.00319246/step, 3.45584 hours remaining, 239.394531 MB of memory in use. ENERGY: 1103000 4007.0156 20701.2688 14462.9751 238.1935 -203560.2094 2771.2672 0.0000 0.0000 52071.5648 -109307.9243 299.2560 -161379.4891 -108936.9106 299.4892 212.0580 233.8663 761539.0244 -6.2944 -6.2845 PRESSURE: 1103200 -50.783 -106.008 -141.794 -106.008 253.634 226.053 -141.795 226.052 391.847 GPRESSURE: 1103200 -48.4445 -150.907 -180.574 -143.175 318.236 130.883 -100.173 132.178 395.298 PRESSAVG: 1103200 43.103 -50.8634 -19.7001 -50.8634 -49.568 -14.7097 -19.7001 -14.7097 5.59982 GPRESSAVG: 1103200 42.7326 -50.6368 -20.0686 -50.7069 -49.8908 -13.1814 -20.5467 -18.1667 6.59311 TIMING: 1103200 CPU: 3493.41, 0.00317523/step Wall: 3493.41, 0.00317523/step, 3.43701 hours remaining, 239.394531 MB of memory in use. ENERGY: 1103200 3961.2560 20585.2699 14479.0430 234.7935 -203702.7927 2940.9036 0.0000 0.0000 52368.4818 -109133.0448 300.9624 -161501.5266 -108773.8045 299.8685 198.2325 221.6966 763615.3622 -0.2884 -0.1884 PRESSURE: 1103400 54.4764 210.563 -6.47456 210.563 -12.8983 -95.2865 -6.47428 -95.2866 -54.3491 GPRESSURE: 1103400 103.752 153.553 31.2614 175.115 40.5744 -55.1841 27.4114 -17.5444 -63.4341 PRESSAVG: 1103400 20.4648 17.5899 -17.8369 17.5899 7.89221 27.9626 -17.837 27.9627 28.0626 GPRESSAVG: 1103400 20.697 17.0902 -17.8357 18.2067 8.15552 29.1327 -17.9881 30.7138 27.8023 TIMING: 1103400 CPU: 3494.05, 0.00320244/step Wall: 3494.05, 0.00320244/step, 3.46629 hours remaining, 239.394531 MB of memory in use. ENERGY: 1103400 4014.2885 20588.5594 14536.0105 231.4383 -203640.8733 2837.6018 0.0000 0.0000 52095.2152 -109337.7597 299.3919 -161432.9749 -108976.9558 299.7295 -4.2570 26.9641 762134.6857 18.8065 18.8849 PRESSURE: 1103600 46.059 -199.709 -122.889 -199.709 148.597 64.275 -122.89 64.2751 106.903 GPRESSURE: 1103600 110.686 -76.8765 -22.2178 -175.772 177.543 89.8587 -172.785 -42.173 99.9274 PRESSAVG: 1103600 -9.06891 -35.8943 9.38905 -35.8944 38.8632 13.7908 9.38903 13.7908 22.9108 GPRESSAVG: 1103600 -6.89837 -32.7039 9.93296 -34.9738 39.0595 13.8672 10.8496 13.7354 20.6889 TIMING: 1103600 CPU: 3494.69, 0.00320135/step Wall: 3494.69, 0.00320135/step, 3.46493 hours remaining, 239.394531 MB of memory in use. ENERGY: 1103600 3875.5780 20427.4408 14521.7783 258.8126 -203360.5298 2696.8426 0.0000 0.0000 52077.9454 -109502.1320 299.2927 -161580.0774 -109130.2952 299.0526 100.5196 129.3855 762032.2935 17.5684 17.6167 PRESSURE: 1103800 -60.6363 80.2442 282.213 80.2446 15.6453 -216.36 282.212 -216.36 -333.344 GPRESSURE: 1103800 -57.2089 -5.69427 303.878 216.164 55.5757 -235.941 142.766 -218.877 -286.776 PRESSAVG: 1103800 58.0593 -28.7578 -10.4058 -28.7578 -62.3074 -23.3624 -10.4059 -23.3625 7.45617 GPRESSAVG: 1103800 56.364 -30.159 -10.0377 -31.2594 -61.6529 -26.3399 -12.0244 -22.5193 8.94164 TIMING: 1103800 CPU: 3495.32, 0.00316946/step Wall: 3495.32, 0.00316946/step, 3.43024 hours remaining, 239.394531 MB of memory in use. ENERGY: 1103800 3969.5729 20499.8005 14512.1867 252.8005 -203470.0928 2834.0259 0.0000 0.0000 52234.2249 -109167.4814 300.1908 -161401.7063 -108805.2717 299.6200 -126.1116 -96.1365 761009.8810 1.0694 1.2176 PRESSURE: 1104000 -47.4382 -79.5623 8.70164 -79.5619 -182.877 24.6944 8.70145 24.6956 -27.111 GPRESSURE: 1104000 -36.6848 -52.1094 99.0238 -163.763 -80.4458 -50.6297 -82.0684 90.6524 -71.7794 PRESSAVG: 1104000 6.92361 -51.8458 -35.3752 -51.8458 -44.9115 -2.04287 -35.3752 -2.04283 -6.57945 GPRESSAVG: 1104000 7.07013 -51.757 -35.5797 -52.6873 -44.6945 -0.800833 -35.9653 -3.93264 -6.56757 TIMING: 1104000 CPU: 3495.95, 0.00315021/step Wall: 3495.95, 0.00315021/step, 3.40923 hours remaining, 239.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 4005.9013 20492.5078 14603.7327 232.1690 -203112.2524 2654.7461 0.0000 0.0000 52186.9240 -108936.2715 299.9190 -161123.1955 -108572.8572 300.4116 -85.8089 -62.9700 760638.2345 -14.8558 -14.7306 PRESSURE: 1104200 325.343 -109.713 -119.31 -109.714 448.856 406.385 -119.31 406.384 385.125 GPRESSURE: 1104200 370.488 -59.9901 -53.7199 -5.66769 531.226 267.051 -29.9311 292.594 331.317 PRESSAVG: 1104200 21.2986 -42.9025 -51.8769 -42.9025 20.9892 -40.3928 -51.8769 -40.3928 23.8475 GPRESSAVG: 1104200 21.0777 -43.5433 -52.4708 -42.4729 20.9757 -38.8295 -49.499 -40.5502 24.2656 TIMING: 1104200 CPU: 3496.58, 0.00315094/step Wall: 3496.58, 0.00315094/step, 3.40984 hours remaining, 239.394531 MB of memory in use. ENERGY: 1104200 4034.0931 20625.1325 14513.6644 243.2607 -202898.2026 2547.9037 0.0000 0.0000 51884.6773 -109049.4710 298.1820 -160934.1483 -108684.4994 299.9965 386.4411 411.0104 761410.0730 22.0451 22.1063 LDB: ============= START OF LOAD BALANCING ============== 3509.03 LDB: ============== END OF LOAD BALANCING =============== 3509.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3509.04 LDB: ============= START OF LOAD BALANCING ============== 3509.35 LDB: Largest compute 7068 load 0.037896 is 19.4% of average load 0.195165 LDB: Average compute 0.004401 is 2.3% of average load 0.195165 LDB: TIME 3509.36 LOAD: AVG 0.195165 MAX 0.213591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.594 MB LDB: TIME 3509.36 LOAD: AVG 0.195165 MAX 0.213591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.594 MB LDB: TIME 3509.36 LOAD: AVG 0.195165 MAX 0.213591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.594 MB LDB: ============== END OF LOAD BALANCING =============== 3509.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3509.37 PRESSURE: 1104400 -94.7745 56.2425 -92.4672 56.2426 16.5117 -12.5638 -92.4676 -12.5635 77.2037 GPRESSURE: 1104400 -21.0336 35.9823 -110.505 138.552 19.8098 74.177 -108.309 -82.2894 72.1489 PRESSAVG: 1104400 -46.9719 -28.0073 -33.7345 -28.0073 42.1762 -4.41552 -33.7345 -4.41551 -10.744 GPRESSAVG: 1104400 -47.1534 -27.0316 -34.4665 -28.5185 41.9874 -4.66965 -34.1799 -4.8234 -10.1811 TIMING: 1104400 CPU: 3497.23, 0.00323992/step Wall: 3497.23, 0.00323992/step, 3.50596 hours remaining, 237.335938 MB of memory in use. ENERGY: 1104400 4006.7014 20544.1902 14509.8478 242.6813 -203403.0093 2768.1764 0.0000 0.0000 52158.6282 -109172.7839 299.7564 -161331.4121 -108812.5621 299.6746 -0.3530 23.6417 761740.2670 -5.1799 -5.1157 PRESSURE: 1104600 -275.685 71.5516 -152.764 71.5502 -319.733 -69.2494 -152.763 -69.2497 17.9303 GPRESSURE: 1104600 -263.087 141.731 -103.182 126.881 -216.653 -21.264 -122.778 45.4617 4.42109 PRESSAVG: 1104600 3.31553 -40.3476 -18.0969 -40.3476 -14.888 -7.9553 -18.0969 -7.95531 28.8369 GPRESSAVG: 1104600 3.08515 -40.3875 -16.2736 -38.2702 -14.2117 -9.47158 -20.6153 -4.2569 28.4824 TIMING: 1104600 CPU: 3497.86, 0.00315773/step Wall: 3497.86, 0.00315773/step, 3.41684 hours remaining, 237.335938 MB of memory in use. ENERGY: 1104600 4041.3538 20537.3192 14497.4783 246.3455 -203255.6117 2577.1428 0.0000 0.0000 52179.7524 -109176.2197 299.8778 -161355.9721 -108817.4175 299.8500 -192.4961 -158.4399 762480.7972 5.7548 5.7853 PRESSURE: 1104800 -160.115 -160.486 4.83474 -160.486 102.136 15.8278 4.83505 15.8289 278.02 GPRESSURE: 1104800 -77.8806 -104.592 -34.3568 -90.5493 70.455 -15.905 -48.0867 -16.2235 307.459 PRESSAVG: 1104800 -20.7514 40.6324 -6.39431 40.6324 1.69893 36.3597 -6.39437 36.3597 3.31329 GPRESSAVG: 1104800 -19.2796 38.2512 -8.2791 41.6628 1.22881 35.3123 -3.68413 34.1255 2.53111 TIMING: 1104800 CPU: 3498.49, 0.0031384/step Wall: 3498.49, 0.0031384/step, 3.39575 hours remaining, 237.335938 MB of memory in use. ENERGY: 1104800 4016.3613 20488.0783 14578.1622 240.8728 -202997.1661 2442.2606 0.0000 0.0000 52102.3288 -109129.1021 299.4328 -161231.4309 -108772.5871 299.4577 73.3470 100.0110 760928.1919 -5.2464 -5.1732 PRESSURE: 1105000 84.3689 -11.291 107.64 -11.2905 -112.627 74.1022 107.638 74.1024 -172.076 GPRESSURE: 1105000 32.3014 -118.154 117.574 3.61111 -18.0417 58.0837 107.286 -53.6445 -144.809 PRESSAVG: 1105000 55.5129 25.3589 -22.149 25.3589 -31.8324 -19.1663 -22.1489 -19.1663 4.94705 GPRESSAVG: 1105000 54.042 26.4067 -21.6303 25.3252 -31.7327 -18.2267 -20.9689 -18.3028 5.91065 TIMING: 1105000 CPU: 3499.12, 0.00316081/step Wall: 3499.12, 0.00316081/step, 3.41982 hours remaining, 237.335938 MB of memory in use. ENERGY: 1105000 4052.0767 20333.2965 14526.4132 241.0565 -202933.9774 2282.4871 0.0000 0.0000 52176.3356 -109322.3118 299.8581 -161498.6474 -108949.2747 299.4831 -66.7782 -43.5165 762509.3640 9.5425 9.4066 PRESSURE: 1105200 -326.367 -71.3002 -122.646 -71.2993 -58.1095 85.0197 -122.647 85.0191 -590.881 GPRESSURE: 1105200 -346.132 -93.0962 -111.583 -84.3547 -47.9115 -36.125 -12.3353 31.5032 -506.574 PRESSAVG: 1105200 -13.426 11.2291 -20.8581 11.229 -12.6764 -21.9788 -20.8581 -21.9788 -5.48275 GPRESSAVG: 1105200 -13.5107 13.1919 -20.3976 9.77505 -13.1574 -21.9039 -21.7958 -23.9402 -4.70332 TIMING: 1105200 CPU: 3499.76, 0.00317763/step Wall: 3499.76, 0.00317763/step, 3.43785 hours remaining, 237.335938 MB of memory in use. ENERGY: 1105200 4035.1798 20524.6240 14490.4751 249.1814 -203280.9061 2534.5747 0.0000 0.0000 52153.6018 -109293.2694 299.7275 -161446.8711 -108940.4261 298.9777 -325.1191 -300.2056 761726.1266 -10.5284 -10.4571 PRESSURE: 1105400 152.876 44.0773 -72.0842 44.0769 -112.513 -362.566 -72.0834 -362.566 210.012 GPRESSURE: 1105400 221.662 109.608 -83.0816 -14.6752 -30.6456 -250.334 -16.6814 -252.76 135.016 PRESSAVG: 1105400 2.25803 -19.4216 15.4807 -19.4216 -47.2228 13.3201 15.4807 13.3201 9.32465 GPRESSAVG: 1105400 3.0579 -21.5506 14.7014 -18.5036 -47.1407 14.3231 14.5034 13.3928 8.50563 TIMING: 1105400 CPU: 3500.39, 0.00318115/step Wall: 3500.39, 0.00318115/step, 3.44147 hours remaining, 237.335938 MB of memory in use. ENERGY: 1105400 3950.3340 20503.2475 14514.4426 250.0959 -203415.8333 2760.7487 0.0000 0.0000 51989.2569 -109447.7078 298.7830 -161436.9647 -109085.5243 299.3664 83.4582 108.6775 760529.3882 -11.8800 -11.8590 PRESSURE: 1105600 -321.182 -11.5271 229.098 -11.5265 -302.837 145.116 229.097 145.116 -237.242 GPRESSURE: 1105600 -356.539 -42.9894 271.067 -41.4099 -212.689 173.379 199.071 237.078 -200.387 PRESSAVG: 1105600 45.562 17.7112 -34.5043 17.7112 -28.5024 44.6218 -34.5043 44.6219 3.16144 GPRESSAVG: 1105600 44.5774 18.4543 -32.2986 14.7559 -28.166 43.1401 -33.5853 45.086 3.6869 TIMING: 1105600 CPU: 3501.02, 0.00315749/step Wall: 3501.02, 0.00315749/step, 3.41571 hours remaining, 237.335938 MB of memory in use. ENERGY: 1105600 4016.1169 20426.4380 14545.9422 258.9118 -202696.7278 2175.5279 0.0000 0.0000 52014.1112 -109259.6798 298.9258 -161273.7910 -108896.0879 299.3114 -287.0869 -256.5380 764086.9268 6.7404 6.6994 PRESSURE: 1105800 -73.488 -177.192 -42.9099 -177.192 -141.179 87.7941 -42.9101 87.793 210.78 GPRESSURE: 1105800 56.9474 -221.23 -33.085 -59.5303 -100.861 123.454 -30.1706 51.6042 126.991 PRESSAVG: 1105800 7.41727 5.70833 21.3817 5.70834 -25.0633 20.16 21.3817 20.1601 18.8372 GPRESSAVG: 1105800 7.45846 7.2018 19.7102 6.19288 -24.3345 20.3554 21.2701 19.6821 17.9118 TIMING: 1105800 CPU: 3501.66, 0.00318245/step Wall: 3501.66, 0.00318245/step, 3.44252 hours remaining, 237.335938 MB of memory in use. ENERGY: 1105800 4078.9738 20518.4724 14476.2656 236.9125 -203457.5497 2792.2641 0.0000 0.0000 52021.2187 -109333.4426 298.9667 -161354.6612 -108974.7523 298.9282 -1.2958 27.6926 761446.6362 0.3971 0.3453 PRESSURE: 1106000 -152.342 7.86181 135.453 7.86145 -236.358 -95.6341 135.453 -95.6329 13.6287 GPRESSURE: 1106000 -158.406 24.1787 95.0839 37.6091 -209.212 -161.789 101.108 -20.486 48.8641 PRESSAVG: 1106000 -1.02574 -30.4651 53.3874 -30.4651 -48.2888 -7.29575 53.3874 -7.29581 -19.0653 GPRESSAVG: 1106000 -1.19473 -30.2724 53.6638 -30.2381 -48.7275 -9.18017 51.2456 -3.77167 -19.1577 TIMING: 1106000 CPU: 3502.29, 0.00315894/step Wall: 3502.29, 0.00315894/step, 3.41692 hours remaining, 237.335938 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: 1106000 3995.9422 20629.9731 14453.2259 239.2115 -203072.1801 2578.8992 0.0000 0.0000 51970.3492 -109204.5790 298.6743 -161174.9282 -108838.2252 299.2505 -125.0239 -106.2514 762748.5278 -22.7933 -23.0267 PRESSURE: 1106200 -116.321 48.2105 -1.23142 48.2103 -294.037 -29.8009 -1.23169 -29.8004 24.7809 GPRESSURE: 1106200 -23.1552 150.723 -6.4702 16.5503 -305.193 -83.6266 36.961 -4.89368 12.4838 PRESSAVG: 1106200 23.2499 -36.2712 -7.0554 -36.2712 -36.9192 -27.3271 -7.05533 -27.3271 20.6234 GPRESSAVG: 1106200 23.55 -37.5268 -6.39009 -34.6073 -37.4937 -26.2666 -5.15451 -30.6719 20.4279 TIMING: 1106200 CPU: 3502.92, 0.00314057/step Wall: 3502.92, 0.00314057/step, 3.39688 hours remaining, 237.335938 MB of memory in use. ENERGY: 1106200 4054.7174 20680.9386 14523.1156 245.2677 -203491.6236 2601.7244 0.0000 0.0000 52130.0904 -109255.7695 299.5923 -161385.8599 -108908.1138 299.2373 -128.5259 -105.2883 762954.7632 2.3180 2.1614 PRESSURE: 1106400 -312.394 174.222 -34.5842 174.224 -276.639 81.9681 -34.5849 81.9683 -347.198 GPRESSURE: 1106400 -378.251 -4.43574 -10.7621 112.792 -179.875 145.807 -69.9616 -0.552097 -302.601 PRESSAVG: 1106400 -17.7172 -43.5271 9.66455 -43.5271 -7.48803 44.3162 9.66458 44.3163 2.87079 GPRESSAVG: 1106400 -17.9513 -44.6141 7.836 -42.9953 -7.95923 45.0642 9.08817 43.4557 3.78676 TIMING: 1106400 CPU: 3503.56, 0.0031733/step Wall: 3503.56, 0.0031733/step, 3.4321 hours remaining, 237.335938 MB of memory in use. ENERGY: 1106400 4007.1290 20599.7892 14445.7466 236.8270 -203020.2789 2372.2467 0.0000 0.0000 51958.8725 -109399.6679 298.6084 -161358.5404 -109040.2206 299.2993 -312.0773 -286.9091 762369.2389 -7.4448 -7.3746 PRESSURE: 1106600 -9.29451 27.9013 -189.421 27.9012 -163.189 184.504 -189.421 184.504 -13.4843 GPRESSURE: 1106600 109.94 -32.0279 -134.856 -50.212 -156.878 116.058 -89.278 198.808 -45.766 PRESSAVG: 1106600 -10.6047 -39.2124 -6.10632 -39.2125 -14.3661 -4.22387 -6.10635 -4.22386 7.14571 GPRESSAVG: 1106600 -10.8974 -38.8785 -3.73051 -41.3295 -12.9727 -4.24333 -7.1138 -1.98131 6.7991 TIMING: 1106600 CPU: 3504.19, 0.00317286/step Wall: 3504.19, 0.00317286/step, 3.43145 hours remaining, 237.335938 MB of memory in use. ENERGY: 1106600 3957.1554 20664.3098 14459.7601 245.0334 -203919.1637 2920.3650 0.0000 0.0000 52237.3738 -109435.1662 300.2089 -161672.5400 -109070.1273 299.3423 -61.9893 -30.9013 761569.2241 -5.9417 -5.6903 PRESSURE: 1106800 144.394 -187.699 155.698 -187.699 -91.9294 250.684 155.698 250.684 70.3413 GPRESSURE: 1106800 181.476 -194.461 161.808 -47.174 -20.9103 204.045 193.152 190.831 27.2529 PRESSAVG: 1106800 -41.975 -46.57 -66.3088 -46.57 -43.1652 24.712 -66.3088 24.712 -1.41 GPRESSAVG: 1106800 -42.0192 -46.1047 -65.8589 -46.2889 -43.2043 25.7826 -65.1851 23.5427 -0.852939 TIMING: 1106800 CPU: 3504.82, 0.00314593/step Wall: 3504.82, 0.00314593/step, 3.40215 hours remaining, 237.335938 MB of memory in use. ENERGY: 1106800 4072.3253 20645.1069 14543.3883 241.8653 -203855.4645 2736.0973 0.0000 0.0000 52087.0438 -109529.6377 299.3450 -161616.6815 -109166.7721 299.3317 40.9352 62.6061 760607.3575 -28.8501 -28.6921 PRESSURE: 1107000 267.217 -179.762 16.7264 -179.762 64.2687 95.0535 16.7272 95.0542 -357.739 GPRESSURE: 1107000 264.167 -165.53 62.8334 -121.233 76.335 41.0147 12.3208 77.5302 -289.194 PRESSAVG: 1107000 41.0614 21.6117 26.8733 21.6117 -26.2622 -15.8316 26.8734 -15.8316 -4.94011 GPRESSAVG: 1107000 42.4646 21.7074 26.8472 23.925 -27.0918 -18.4013 25.8158 -14.9811 -5.77564 TIMING: 1107000 CPU: 3505.45, 0.00314925/step Wall: 3505.45, 0.00314925/step, 3.40557 hours remaining, 237.335938 MB of memory in use. ENERGY: 1107000 4002.1343 20613.0713 14468.1541 250.5744 -203716.7645 2685.2760 0.0000 0.0000 52319.9405 -109377.6138 300.6834 -161697.5544 -109017.8702 299.6573 -8.7511 17.1028 761694.1434 3.2864 3.1991 PRESSURE: 1107200 -48.9375 -193.956 15.9276 -193.956 -230.475 40.4178 15.9262 40.4172 -365.922 GPRESSURE: 1107200 -89.5334 -111.659 -24.3226 -77.7024 -33.8267 -12.4864 50.7425 34.3086 -437.586 PRESSAVG: 1107200 15.306 -29.1145 64.8376 -29.1144 -24.3745 -18.7382 64.8376 -18.7381 32.5659 GPRESSAVG: 1107200 14.5437 -27.6665 63.7163 -32.2664 -22.2343 -18.3499 65.4049 -18.6716 31.3165 TIMING: 1107200 CPU: 3506.08, 0.00317152/step Wall: 3506.08, 0.00317152/step, 3.42947 hours remaining, 237.335938 MB of memory in use. ENERGY: 1107200 3988.5580 20434.4794 14531.9271 257.7224 -203258.9305 2484.3463 0.0000 0.0000 52239.7764 -109322.1210 300.2227 -161561.8973 -108961.4768 299.6237 -215.1114 -186.9820 762727.9159 7.8325 7.8753 PRESSURE: 1107400 302.412 97.6228 86.0957 97.6223 -39.4924 25.9991 86.0959 25.9976 355.127 GPRESSURE: 1107400 361.037 180.192 58.1829 127.118 -54.1575 16.8884 -22.1703 82.7709 413.497 PRESSAVG: 1107400 29.4733 -7.9875 7.7681 -7.98751 -26.4619 19.5047 7.76808 19.5047 7.39926 GPRESSAVG: 1107400 29.1456 -8.62518 7.03709 -7.04553 -27.562 20.1182 8.91878 19.4646 8.70681 TIMING: 1107400 CPU: 3506.71, 0.00314654/step Wall: 3506.71, 0.00314654/step, 3.40228 hours remaining, 237.335938 MB of memory in use. ENERGY: 1107400 3989.2025 20455.6131 14469.2774 266.7124 -203362.8501 2824.6469 0.0000 0.0000 52009.4327 -109347.9651 298.8989 -161357.3978 -108983.8245 299.7891 206.0153 240.1254 761039.4394 3.4702 3.4301 PRESSURE: 1107600 34.7732 10.1493 172.195 10.1494 41.9016 -9.71568 172.195 -9.71607 -179.267 GPRESSURE: 1107600 106.082 65.4298 207.963 -76.4833 30.8775 41.8199 10.3311 -239.018 -161.639 PRESSAVG: 1107600 22.745 3.28592 3.71417 3.28596 0.883078 -0.90634 3.7142 -0.906338 4.56633 GPRESSAVG: 1107600 23.4214 2.70175 3.68727 1.9254 0.538317 -0.951814 3.83137 -1.15419 4.15856 TIMING: 1107600 CPU: 3507.35, 0.00317581/step Wall: 3507.35, 0.00317581/step, 3.43376 hours remaining, 237.335938 MB of memory in use. ENERGY: 1107600 4015.1060 20476.4131 14501.9313 238.2373 -203676.0406 2918.9826 0.0000 0.0000 52168.4343 -109356.9360 299.8127 -161525.3703 -108998.7817 299.3070 -34.1975 -8.2263 761823.2462 9.3981 9.3728 PRESSURE: 1107800 72.8296 264.254 75.1584 264.253 -154.912 -119.888 75.1586 -119.887 269.446 GPRESSURE: 1107800 39.729 111.135 16.3256 263.98 -92.2916 -191.723 -19.3991 -183.65 339.02 PRESSAVG: 1107800 5.19774 8.78837 -10.1523 8.78834 -41.4051 -5.54283 -10.1523 -5.54277 14.3135 GPRESSAVG: 1107800 5.07027 7.78424 -9.88007 10.7278 -42.3441 -5.94399 -11.0929 -2.59614 14.9668 TIMING: 1107800 CPU: 3507.98, 0.00316736/step Wall: 3507.98, 0.00316736/step, 3.42445 hours remaining, 237.335938 MB of memory in use. ENERGY: 1107800 4012.6024 20331.6495 14582.7246 264.7472 -203454.6854 2770.3098 0.0000 0.0000 52119.9553 -109372.6966 299.5341 -161492.6520 -109016.3824 299.4292 62.4548 95.4856 762063.3201 -7.2980 -7.4357 PRESSURE: 1108000 23.0196 -27.1281 233.021 -27.1288 -182.914 -11.4492 233.021 -11.4479 -10.4264 GPRESSURE: 1108000 120.397 15.076 174.675 -100.703 -118.803 3.81955 241.636 5.66593 -94.9071 PRESSAVG: 1108000 61.6501 15.478 65.4783 15.478 -38.5908 1.64017 65.4783 1.64014 2.53183 GPRESSAVG: 1108000 61.0852 15.6417 65.9548 15.2992 -38.0428 3.07156 64.2166 -0.11458 2.59145 TIMING: 1108000 CPU: 3508.61, 0.00316919/step Wall: 3508.61, 0.00316919/step, 3.42625 hours remaining, 237.335938 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: 1108000 4011.8443 20621.7405 14413.9730 233.3918 -203476.8973 2754.8764 0.0000 0.0000 52088.4103 -109352.6610 299.3528 -161441.0714 -108988.7386 299.5466 -56.7738 -31.1045 761110.1351 8.5304 8.5446 PRESSURE: 1108200 -155.467 -117.342 -156.179 -117.342 -391.682 -29.782 -156.179 -29.782 -70.3233 GPRESSURE: 1108200 -163.316 -29.1528 -55.8907 -152.564 -316.94 -131.855 -123.33 -75.4302 -57.1213 PRESSAVG: 1108200 73.8556 -2.23577 -4.757 -2.23573 -61.1953 -13.6913 -4.75701 -13.6913 -7.01044 GPRESSAVG: 1108200 72.7977 -1.5871 -2.16849 -2.35588 -60.4556 -14.7514 -5.55704 -13.9493 -6.27472 TIMING: 1108200 CPU: 3509.25, 0.00317583/step Wall: 3509.25, 0.00317583/step, 3.43324 hours remaining, 237.335938 MB of memory in use. ENERGY: 1108200 3964.4644 20550.0014 14506.8058 235.0178 -203004.8739 2179.5961 0.0000 0.0000 52013.3507 -109555.6377 298.9214 -161568.9884 -109209.0636 299.0894 -205.8242 -179.1257 761204.4433 1.8833 2.0225 LDB: ============= START OF LOAD BALANCING ============== 3521.7 LDB: ============== END OF LOAD BALANCING =============== 3521.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3521.7 LDB: ============= START OF LOAD BALANCING ============== 3522.02 LDB: Largest compute 7077 load 0.034977 is 17.9% of average load 0.195181 LDB: Average compute 0.004408 is 2.3% of average load 0.195181 LDB: TIME 3522.02 LOAD: AVG 0.195181 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.789 MB LDB: TIME 3522.03 LOAD: AVG 0.195181 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.992 MB LDB: TIME 3522.03 LOAD: AVG 0.195181 MAX 0.211596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.992 MB LDB: ============== END OF LOAD BALANCING =============== 3522.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3522.03 PRESSURE: 1108400 2.09681 98.552 -132.323 98.552 130.702 -28.9982 -132.322 -28.9978 209.844 GPRESSURE: 1108400 65.6156 136.616 -232.535 30.5895 74.6901 -58.4139 -85.6371 -103.3 279.272 PRESSAVG: 1108400 65.8757 -9.49942 -34.5934 -9.49944 -46.6695 -13.8458 -34.5934 -13.8458 -15.8981 GPRESSAVG: 1108400 68.1938 -8.8666 -37.3429 -10.9809 -47.5299 -14.0147 -32.8748 -15.757 -17.4241 TIMING: 1108400 CPU: 3509.9, 0.00323202/step Wall: 3509.9, 0.00323202/step, 3.49381 hours remaining, 238.820312 MB of memory in use. ENERGY: 1108400 3874.2266 20814.9123 14433.4256 247.3324 -203052.5440 2513.9977 0.0000 0.0000 51691.9864 -109476.6631 297.0746 -161168.6494 -109131.1208 298.8255 114.2142 139.8593 761485.5969 1.1027 1.0799 PRESSURE: 1108600 243.311 -93.0487 -43.8702 -93.0481 -317.883 -46.3243 -43.8704 -46.3255 365.777 GPRESSURE: 1108600 291.699 -7.23152 40.1333 -108.131 -209.568 161.988 -0.218427 -43.9331 296.382 PRESSAVG: 1108600 78.8019 -2.46223 -13.7483 -2.46225 -66.1368 -43.2834 -13.7483 -43.2833 11.604 GPRESSAVG: 1108600 77.6675 -0.041432 -14.1021 -1.57316 -65.2674 -41.9094 -14.2171 -40.8998 11.7742 TIMING: 1108600 CPU: 3510.52, 0.00314298/step Wall: 3510.52, 0.00314299/step, 3.39739 hours remaining, 238.820312 MB of memory in use. ENERGY: 1108600 3972.5851 20560.5527 14476.7195 259.3319 -203307.6437 2530.5240 0.0000 0.0000 52049.6255 -109458.3050 299.1299 -161507.9305 -109091.5222 299.3383 97.0686 126.1710 760180.3512 8.0897 8.0581 PRESSURE: 1108800 -100.169 226.405 238.602 226.405 -101.89 51.9619 238.602 51.9603 12.2991 GPRESSURE: 1108800 -138.523 212.003 234.455 163.503 -65.1961 120.661 148.956 -7.67439 91.7379 PRESSAVG: 1108800 68.6473 -32.3545 71.7428 -32.3546 -73.0096 20.2484 71.7428 20.2484 6.87076 GPRESSAVG: 1108800 69.1821 -35.4989 73.7398 -31.599 -74.543 20.8654 73.1936 18.7978 7.76116 TIMING: 1108800 CPU: 3511.16, 0.00317665/step Wall: 3511.16, 0.00317665/step, 3.43361 hours remaining, 238.820312 MB of memory in use. ENERGY: 1108800 3960.8779 20419.5086 14529.9543 253.1812 -203004.8438 2531.3037 0.0000 0.0000 51856.6358 -109453.3824 298.0208 -161310.0181 -109091.6449 298.8503 -63.2532 -37.3269 761324.2292 0.8362 0.8001 PRESSURE: 1109000 154.425 -95.9877 125.629 -95.9883 -125.908 43.245 125.629 43.245 91.2099 GPRESSURE: 1109000 220.822 -67.5347 200.114 -43.8634 -131.434 45.5653 8.2663 28.7416 124.1 PRESSAVG: 1109000 35.2672 6.73859 41.5437 6.73865 2.89084 -2.81251 41.5438 -2.81251 -20.9777 GPRESSAVG: 1109000 33.7308 6.16181 39.8115 6.66008 4.45699 -3.85422 40.6613 -0.86203 -21.3179 TIMING: 1109000 CPU: 3511.8, 0.00318486/step Wall: 3511.8, 0.00318486/step, 3.4423 hours remaining, 238.820312 MB of memory in use. ENERGY: 1109000 3972.2990 20527.3635 14483.4699 230.8496 -203180.5028 2604.8261 0.0000 0.0000 51993.2064 -109368.4883 298.8057 -161361.6947 -109003.3061 298.5270 39.9091 71.1629 762522.7985 5.7268 5.6233 PRESSURE: 1109200 355.488 -68.0137 147.84 -68.0125 23.7724 105.702 147.84 105.703 18.5497 GPRESSURE: 1109200 326.606 -91.4618 94.5086 -73.5513 136.52 49.5764 147.181 108.517 1.29013 PRESSAVG: 1109200 7.54336 -4.94918 -34.0846 -4.94913 25.8669 23.4773 -34.0846 23.4772 8.26633 GPRESSAVG: 1109200 8.53788 -5.09296 -35.6324 -4.00903 25.0033 21.8852 -32.9753 23.8339 7.61605 TIMING: 1109200 CPU: 3512.43, 0.00318664/step Wall: 3512.43, 0.00318664/step, 3.44405 hours remaining, 238.820312 MB of memory in use. ENERGY: 1109200 4002.5556 20459.2788 14415.3968 235.1717 -203414.9400 2600.2985 0.0000 0.0000 52205.6585 -109496.5802 300.0266 -161702.2387 -109132.4097 299.0283 132.6035 154.8052 760912.4215 13.8922 13.7191 PRESSURE: 1109400 28.2495 -69.5185 -158.874 -69.5185 216.349 -135.523 -158.875 -135.523 232.129 GPRESSURE: 1109400 84.2158 -132.751 -212.004 -37.3783 292.139 -48.9567 20.4025 -217.833 185.566 PRESSAVG: 1109400 -20.5337 1.91701 48.8485 1.91703 30.7202 -8.08715 48.8485 -8.08709 2.72823 GPRESSAVG: 1109400 -20.3684 5.62223 50.7348 0.914845 31.4299 -7.7237 48.5863 -9.59291 2.24419 TIMING: 1109400 CPU: 3513.07, 0.00317917/step Wall: 3513.07, 0.00317917/step, 3.4358 hours remaining, 238.820312 MB of memory in use. ENERGY: 1109400 4010.2256 20659.8828 14554.6854 230.9618 -203717.3269 2738.7847 0.0000 0.0000 52212.8900 -109309.8965 300.0682 -161522.7865 -108947.7174 299.7668 158.9090 187.3068 759685.1822 4.3049 4.4352 PRESSURE: 1109600 124.433 -185.025 -177.168 -185.026 -186.15 -74.3097 -177.168 -74.3093 -65.9113 GPRESSURE: 1109600 184.451 -83.7544 -59.8876 -252.658 -165.071 -131.704 -80.8444 -104.764 -50.4167 PRESSAVG: 1109600 41.9818 -40.1046 -13.3653 -40.1046 -66.7212 -29.3181 -13.3653 -29.3181 -8.31605 GPRESSAVG: 1109600 42.0554 -41.3848 -11.7905 -40.9051 -66.7758 -28.8676 -14.6356 -29.1235 -7.94724 TIMING: 1109600 CPU: 3513.7, 0.0031721/step Wall: 3513.7, 0.00317209/step, 3.42798 hours remaining, 238.820312 MB of memory in use. ENERGY: 1109600 3955.4409 20845.3570 14507.9502 232.8281 -203291.4600 2358.0089 0.0000 0.0000 51800.6638 -109591.2111 297.6991 -161391.8748 -109237.5487 299.6245 -42.5430 -10.3456 760911.1779 -11.0185 -10.8892 PRESSURE: 1109800 -178.53 -161.66 87.8419 -161.661 -11.4594 -146.09 87.8431 -146.091 -44.3775 GPRESSURE: 1109800 -166.937 -183.824 112.01 -97.104 69.9045 -85.7975 175.431 -220.806 -62.4959 PRESSAVG: 1109800 5.27285 -89.1433 -47.1342 -89.1433 -10.4695 -19.9114 -47.1343 -19.9114 -17.8966 GPRESSAVG: 1109800 5.19848 -89.096 -48.5117 -88.9853 -11.3475 -20.3112 -45.9816 -18.8661 -16.9612 TIMING: 1109800 CPU: 3514.34, 0.00315804/step Wall: 3514.34, 0.00315804/step, 3.41261 hours remaining, 238.820312 MB of memory in use. ENERGY: 1109800 4022.8746 20615.3523 14506.0685 257.2288 -203433.1357 2510.9708 0.0000 0.0000 51892.6239 -109628.0169 298.2276 -161520.6408 -109253.8263 299.2052 -78.1222 -53.1763 761420.4278 -7.6978 -7.7034 PRESSURE: 1110000 11.4353 -34.9509 -96.8159 -34.9511 72.8283 16.4868 -96.8156 16.4853 -69.2977 GPRESSURE: 1110000 53.1205 -31.5168 -124.8 48.3137 164.565 32.0812 -51.7251 5.88753 -123.528 PRESSAVG: 1110000 -28.3473 -58.2267 24.902 -58.2267 -10.7603 -11.4925 24.902 -11.4925 -16.7366 GPRESSAVG: 1110000 -28.8349 -58.7036 22.4393 -57.0771 -10.3109 -8.50686 25.9147 -12.6486 -17.5079 TIMING: 1110000 CPU: 3514.97, 0.00316255/step Wall: 3514.97, 0.00316255/step, 3.41731 hours remaining, 238.820312 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: 1110000 3930.8860 20471.2013 14533.3905 239.0691 -203372.2694 2668.7769 0.0000 0.0000 51801.8022 -109727.1434 297.7057 -161528.9456 -109366.6467 299.0607 4.9886 31.3861 761895.1460 -18.6148 -18.8845 PRESSURE: 1110200 -245.773 -235.474 225.048 -235.475 -456.274 308.059 225.047 308.059 -118.465 GPRESSURE: 1110200 -272.899 -143.128 203.478 -199.994 -364.037 300.718 61.9159 350.596 -105.116 PRESSAVG: 1110200 13.0391 -19.6212 43.4696 -19.6212 -9.52195 15.7283 43.4696 15.7284 20.4432 GPRESSAVG: 1110200 12.1313 -21.7767 46.6012 -18.7224 -9.47093 13.1052 40.9967 16.8839 21.0339 TIMING: 1110200 CPU: 3515.6, 0.0031608/step Wall: 3515.6, 0.0031608/step, 3.41524 hours remaining, 238.820312 MB of memory in use. ENERGY: 1110200 4035.9321 20438.1326 14476.4241 246.3423 -203225.8042 2374.4400 0.0000 0.0000 51940.6433 -109713.8897 298.5036 -161654.5331 -109344.4073 298.3234 -273.5038 -247.3504 761416.9424 7.9868 7.8981 PRESSURE: 1110400 199.432 19.0366 -92.947 19.0373 -2.91078 -1.86568 -92.9469 -1.86539 90.561 GPRESSURE: 1110400 268.303 18.1803 -125.247 55.1459 -22.1789 -58.3594 -160.136 164.331 122.387 PRESSAVG: 1110400 -2.32916 -28.0265 -9.09286 -28.0265 -12.3938 17.075 -9.09282 17.0749 -16.366 GPRESSAVG: 1110400 -0.49785 -25.7574 -9.97418 -30.4438 -12.3922 15.8348 -7.48749 17.5682 -18.0049 TIMING: 1110400 CPU: 3516.23, 0.00316948/step Wall: 3516.23, 0.00316948/step, 3.42445 hours remaining, 238.820312 MB of memory in use. ENERGY: 1110400 3992.0448 20490.2129 14429.5951 232.7740 -203456.5136 2654.3329 0.0000 0.0000 52170.9882 -109486.5656 299.8274 -161657.5538 -109123.4575 298.9834 95.6940 122.8370 761587.5968 -10.3630 -10.2983 PRESSURE: 1110600 -41.7473 -185.943 196.918 -185.943 91.5077 -328.249 196.917 -328.25 -164.943 GPRESSURE: 1110600 27.7144 -263.769 138.261 -134.88 103.777 -355.478 171.329 -280.84 -161.569 PRESSAVG: 1110600 39.1636 -7.80731 24.0111 -7.80733 -49.4164 -20.1953 24.0111 -20.1953 2.59975 GPRESSAVG: 1110600 37.8622 -6.97747 21.8394 -6.41831 -49.2634 -18.6735 25.7306 -21.1591 3.90321 TIMING: 1110600 CPU: 3516.86, 0.00313568/step Wall: 3516.86, 0.00313568/step, 3.38775 hours remaining, 238.820312 MB of memory in use. ENERGY: 1110600 4022.3810 20569.9115 14533.6552 243.1638 -203482.4728 2455.2539 0.0000 0.0000 52189.3413 -109468.7659 299.9329 -161658.1072 -109104.3322 299.2855 -38.3941 -10.0260 761145.9600 -2.5510 -2.4993 PRESSURE: 1110800 -134.631 -170.546 -208.476 -170.546 -621.244 -310.88 -208.476 -310.88 -343.077 GPRESSURE: 1110800 -161.843 -236.374 -147.585 -193.306 -519.774 -330.648 -262.014 -145.174 -335.633 PRESSAVG: 1110800 50.6673 -60.8083 -1.43625 -60.8083 -33.7376 -8.85953 -1.43626 -8.85944 15.5695 GPRESSAVG: 1110800 51.8479 -63.1778 1.4876 -62.6274 -34.0756 -9.06516 -3.38816 -8.78825 14.8605 TIMING: 1110800 CPU: 3517.5, 0.00316508/step Wall: 3517.5, 0.00316508/step, 3.41935 hours remaining, 238.820312 MB of memory in use. ENERGY: 1110800 3985.6990 20546.8100 14489.8344 249.8382 -203486.8913 2667.3863 0.0000 0.0000 51987.1109 -109560.2125 298.7706 -161547.3233 -109198.1046 299.1835 -366.3174 -339.0836 762675.0492 10.8331 10.8776 PRESSURE: 1111000 -223.697 9.07659 -18.2658 9.07604 -5.07288 62.8144 -18.266 62.8142 -273.863 GPRESSURE: 1111000 -141.535 -87.3507 -54.7904 -124.889 -40.8327 102.392 115.05 59.8521 -242.601 PRESSAVG: 1111000 20.711 -64.7728 -25.4958 -64.7727 -27.0935 -40.13 -25.4958 -40.13 -13.101 GPRESSAVG: 1111000 20.0034 -63.7004 -27.1562 -63.9329 -26.5853 -39.5802 -24.5646 -39.5267 -13.6047 TIMING: 1111000 CPU: 3518.13, 0.00316256/step Wall: 3518.13, 0.00316256/step, 3.41644 hours remaining, 238.820312 MB of memory in use. ENERGY: 1111000 3898.8942 20583.2180 14569.7358 236.2394 -203731.4479 2853.0459 0.0000 0.0000 51804.2468 -109786.0679 297.7197 -161590.3146 -109429.6121 298.7147 -167.5441 -141.6562 762206.6651 -6.4945 -6.7289 PRESSURE: 1111200 104.071 80.8532 159.714 80.8527 -175.945 -94.1025 159.713 -94.1027 227.864 GPRESSURE: 1111200 132.146 56.0746 78.7587 55.23 -61.0016 -62.7252 102.933 -45.972 174.742 PRESSAVG: 1111200 -17.2621 -11.395 -45.0378 -11.3949 -4.80981 3.96948 -45.0379 3.96935 34.023 GPRESSAVG: 1111200 -17.859 -10.0487 -44.58 -11.895 -4.54567 4.6355 -46.1569 3.9484 34.4579 TIMING: 1111200 CPU: 3518.76, 0.00315127/step Wall: 3518.76, 0.00315127/step, 3.40407 hours remaining, 238.820312 MB of memory in use. ENERGY: 1111200 3993.5259 20676.3693 14543.8766 239.0878 -203462.1356 2659.2732 0.0000 0.0000 51654.9784 -109695.0244 296.8619 -161350.0028 -109327.6260 298.7758 51.9967 81.9621 762916.1295 3.9837 4.0177 PRESSURE: 1111400 -8.02309 159.218 -72.0598 159.219 -381.647 122.498 -72.0598 122.499 41.0275 GPRESSURE: 1111400 -48.2363 36.1407 -172.996 148.867 -237.246 154.533 17.1745 55.5951 42.3328 PRESSAVG: 1111400 10.274 -26.7851 9.03146 -26.7851 1.02284 51.131 9.03148 51.131 21.1925 GPRESSAVG: 1111400 9.6888 -27.6812 8.36974 -26.6294 2.91494 51.5813 7.16881 50.8029 20.232 TIMING: 1111400 CPU: 3519.39, 0.00318249/step Wall: 3519.39, 0.00318249/step, 3.43762 hours remaining, 238.820312 MB of memory in use. ENERGY: 1111400 4055.5036 20520.9750 14459.5246 246.2080 -203445.8694 2670.0415 0.0000 0.0000 51929.6983 -109563.9184 298.4407 -161493.6167 -109204.1494 298.3170 -116.2141 -81.0497 762516.7740 10.8298 10.9452 PRESSURE: 1111600 84.4494 100.206 -254.148 100.205 -125.214 -25.239 -254.148 -25.2391 297.747 GPRESSURE: 1111600 143.324 59.1857 -254.046 141.225 -174.894 -33.3981 -188.654 -149.428 370.003 PRESSAVG: 1111600 -15.9881 17.9561 27.2588 17.9561 -4.82846 20.5438 27.2588 20.5438 -12.107 GPRESSAVG: 1111600 -14.2524 16.2696 27.8781 18.8278 -6.28215 19.3048 28.5908 18.58 -12.0814 TIMING: 1111600 CPU: 3520.03, 0.00315702/step Wall: 3520.03, 0.00315702/step, 3.40993 hours remaining, 238.820312 MB of memory in use. ENERGY: 1111600 3972.8272 20490.7297 14542.1079 250.9289 -203507.5936 2938.5145 0.0000 0.0000 51830.9689 -109481.5164 297.8733 -161312.4854 -109111.1368 298.8245 85.6607 112.8109 763484.7702 -10.9745 -10.8720 PRESSURE: 1111800 211.132 71.1124 -129.536 71.1115 49.2855 66.5459 -129.536 66.5456 335.87 GPRESSURE: 1111800 241.021 110.882 -177.696 72.4495 130.823 32.5776 -122.055 53.2545 306.249 PRESSAVG: 1111800 12.1048 23.761 -41.1925 23.761 -17.6399 25.2378 -41.1925 25.2378 11.0317 GPRESSAVG: 1111800 11.0667 23.8309 -41.2683 23.2949 -17.376 24.184 -39.9176 26.4677 11.4577 TIMING: 1111800 CPU: 3520.66, 0.00315864/step Wall: 3520.66, 0.00315864/step, 3.41151 hours remaining, 238.820312 MB of memory in use. ENERGY: 1111800 3950.1242 20641.4280 14466.6507 250.9413 -203628.7606 2861.4586 0.0000 0.0000 51912.1366 -109546.0210 298.3398 -161458.1577 -109187.6586 298.5518 198.7625 226.0308 762240.6912 1.8322 1.7161 PRESSURE: 1112000 34.4035 -60.6893 -6.65678 -60.6893 129.83 -216.086 -6.65682 -216.086 213.979 GPRESSURE: 1112000 40.3399 -72.4936 40.0199 19.4531 132.192 -188.811 -89.82 -121 284.681 PRESSAVG: 1112000 6.64648 6.42221 -5.63771 6.42219 -12.0887 12.7928 -5.63774 12.7929 6.87415 GPRESSAVG: 1112000 7.4733 7.805 -5.22924 6.39455 -13.412 14.2979 -5.88519 12.7697 7.80916 TIMING: 1112000 CPU: 3521.29, 0.00315024/step Wall: 3521.29, 0.00315024/step, 3.40226 hours remaining, 238.820312 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: 1112000 3952.1248 20411.5086 14465.4124 241.1526 -203590.0403 2815.1662 0.0000 0.0000 52153.7567 -109550.9189 299.7284 -161704.6756 -109192.8917 298.6261 126.0710 152.4044 759900.1910 0.4773 0.6235 PRESSURE: 1112200 4.38886 -80.0496 147.566 -80.0496 -239.632 259.348 147.566 259.348 -143.086 GPRESSURE: 1112200 -59.6649 -116.247 180.846 -28.3865 -59.2494 292.461 187.81 160.573 -165.749 PRESSAVG: 1112200 -4.67165 20.6887 83.7961 20.6887 40.2099 -6.96168 83.7961 -6.96173 -8.23819 GPRESSAVG: 1112200 -5.24998 19.5912 84.5809 22.2954 41.6487 -8.15833 81.9983 -6.35481 -9.24819 TIMING: 1112200 CPU: 3521.92, 0.00316304/step Wall: 3521.92, 0.00316304/step, 3.41591 hours remaining, 238.820312 MB of memory in use. ENERGY: 1112200 4020.6682 20490.2488 14441.6267 242.5506 -204020.8027 2945.0084 0.0000 0.0000 52325.5778 -109555.1222 300.7158 -161880.7001 -109182.0955 298.8069 -126.1099 -94.8877 761077.1415 9.1000 9.0502 LDB: ============= START OF LOAD BALANCING ============== 3534.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3534.37 LDB: =============== DONE WITH MIGRATION ================ 3534.38 LDB: ============= START OF LOAD BALANCING ============== 3534.69 LDB: Largest compute 7032 load 0.036649 is 18.8% of average load 0.195131 LDB: Average compute 0.004396 is 2.3% of average load 0.195131 LDB: TIME 3534.7 LOAD: AVG 0.195131 MAX 0.211461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.277 MB LDB: TIME 3534.7 LOAD: AVG 0.195131 MAX 0.211461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: TIME 3534.7 LOAD: AVG 0.195131 MAX 0.211461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: ============== END OF LOAD BALANCING =============== 3534.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3534.7 PRESSURE: 1112400 -55.7838 196.915 128.117 196.915 -418.195 -199.267 128.118 -199.266 129.307 GPRESSURE: 1112400 -6.52703 212.353 96.8875 284.599 -406.507 -213.228 197.927 -164.021 138.762 PRESSAVG: 1112400 5.71112 72.1426 59.36 72.1425 -50.7348 -13.6181 59.36 -13.618 9.46746 GPRESSAVG: 1112400 6.05368 72.3169 56.7866 70.5215 -52.1077 -12.7098 61.0707 -12.6279 10.1227 TIMING: 1112400 CPU: 3522.57, 0.00324059/step Wall: 3522.57, 0.00324059/step, 3.49948 hours remaining, 238.113281 MB of memory in use. ENERGY: 1112400 3953.7042 20382.8486 14424.9584 249.8669 -203852.3180 2863.8061 0.0000 0.0000 52102.2850 -109874.8489 299.4325 -161977.1339 -109511.7127 298.0627 -114.8904 -91.4243 763317.0539 -11.8521 -11.9771 PRESSURE: 1112600 56.4915 -151.534 293.926 -151.535 127.945 36.5763 293.927 36.5754 35.6348 GPRESSURE: 1112600 93.294 -42.301 240.131 -178.007 102.695 -27.1369 296.428 132.382 121.965 PRESSAVG: 1112600 25.9278 34.1449 80.5156 34.1448 41.0054 -17.5121 80.5157 -17.5121 -18.7356 GPRESSAVG: 1112600 26.1764 33.9678 80.2194 34.6658 40.8458 -17.9742 80.5593 -18.7732 -19.0451 TIMING: 1112600 CPU: 3523.2, 0.00317902/step Wall: 3523.2, 0.00317902/step, 3.43281 hours remaining, 238.316406 MB of memory in use. ENERGY: 1112600 3908.5502 20456.7485 14455.2439 264.6426 -203285.1817 2411.1347 0.0000 0.0000 52041.4225 -109747.4393 299.0828 -161788.8619 -109390.6314 298.3706 73.3572 105.9846 761246.2179 16.0658 15.9924 PRESSURE: 1112800 -56.9324 124.853 1.42306 124.853 25.4245 88.1065 1.4229 88.1049 -402.541 GPRESSURE: 1112800 -140.75 92.8641 -66.608 88.3206 119.25 -25.0696 -32.9947 54.0577 -321.833 PRESSAVG: 1112800 -53.7207 32.211 93.3517 32.2109 24.5031 -8.37773 93.3517 -8.37769 -10.8584 GPRESSAVG: 1112800 -55.4472 33.4718 94.7493 31.7855 25.127 -11.5333 91.6836 -9.27403 -10.232 TIMING: 1112800 CPU: 3523.84, 0.00316896/step Wall: 3523.84, 0.00316896/step, 3.42177 hours remaining, 238.316406 MB of memory in use. ENERGY: 1112800 4008.1016 20587.7308 14460.9864 243.4594 -204322.2935 3061.2991 0.0000 0.0000 52039.8061 -109920.9100 299.0735 -161960.7161 -109568.3025 298.2862 -144.6829 -114.4444 760143.6696 -13.3587 -13.5174 PRESSURE: 1113000 56.4409 83.0775 -233.428 83.0777 66.032 -45.7389 -233.428 -45.739 56.0049 GPRESSURE: 1113000 65.8821 137.353 -268.694 -3.48887 124.092 -59.7798 -34.8041 -24.5241 76.9702 PRESSAVG: 1113000 -3.60751 3.92688 68.8057 3.92685 12.8525 -5.39435 68.8057 -5.39435 -13.8148 GPRESSAVG: 1113000 -1.15077 2.07622 69.3906 4.50013 12.0397 -3.03275 67.9427 -4.04711 -14.7579 TIMING: 1113000 CPU: 3524.47, 0.00318426/step Wall: 3524.47, 0.00318426/step, 3.43812 hours remaining, 238.316406 MB of memory in use. ENERGY: 1113000 3982.8463 20504.4077 14482.8312 268.5215 -204002.9425 2974.4344 0.0000 0.0000 51899.9616 -109889.9399 298.2698 -161789.9016 -109527.2307 298.0012 59.4926 88.9816 759841.3048 -1.5233 -1.2896 PRESSURE: 1113200 35.4819 204.781 -54.9141 204.781 -98.6436 -12.9958 -54.9154 -12.9962 -132.248 GPRESSURE: 1113200 137.422 197.326 -91.2671 244.079 -121.198 -24.8826 -70.3157 37.7759 -107.961 PRESSAVG: 1113200 -33.6348 16.8079 6.55588 16.8079 66.5451 -3.6337 6.55584 -3.63373 -17.7832 GPRESSAVG: 1113200 -33.6796 17.0783 5.6493 16.9144 65.5916 -3.01076 8.96687 -2.94082 -17.1642 TIMING: 1113200 CPU: 3525.11, 0.00317168/step Wall: 3525.11, 0.00317168/step, 3.42436 hours remaining, 238.316406 MB of memory in use. ENERGY: 1113200 4037.1679 20466.8881 14462.5775 224.5829 -203726.5982 2801.8754 0.0000 0.0000 51966.8473 -109766.6591 298.6542 -161733.5064 -109410.7325 298.1855 -65.1365 -30.5787 760241.7785 5.0423 4.9159 PRESSURE: 1113400 -267.636 -0.943109 111.989 -0.943444 -11.7843 145.341 111.989 145.341 344.847 GPRESSURE: 1113400 -318.413 -56.093 109.303 50.6997 110.852 97.8399 29.9034 129.407 341.739 PRESSAVG: 1113400 -21.4407 -19.3179 15.5746 -19.3179 16.293 -43.113 15.5746 -43.1131 20.2771 GPRESSAVG: 1113400 -22.4524 -16.2069 16.5432 -21.1661 17.848 -43.4509 13.7914 -44.9144 19.5924 TIMING: 1113400 CPU: 3525.74, 0.00317742/step Wall: 3525.74, 0.00317742/step, 3.43038 hours remaining, 238.316406 MB of memory in use. ENERGY: 1113400 4005.3456 20620.4661 14441.8837 261.8661 -203497.9518 2669.8951 0.0000 0.0000 51740.2872 -109758.2079 297.3521 -161498.4951 -109402.6117 298.4868 21.8088 44.7257 760793.7824 5.0431 4.9960 PRESSURE: 1113600 -363.334 327.045 256.576 327.045 -194.601 -240.75 256.576 -240.75 -29.3593 GPRESSURE: 1113600 -327.319 256.495 216.143 291.126 -154.201 -222.898 123.43 -155.773 -17.2858 PRESSAVG: 1113600 -57.0641 -24.4093 -7.07024 -24.4094 17.1043 -21.1912 -7.07022 -21.1912 0.914307 GPRESSAVG: 1113600 -58.5202 -25.3821 -8.92117 -23.324 17.6378 -21.6768 -8.07507 -18.1416 1.44108 TIMING: 1113600 CPU: 3526.38, 0.00317206/step Wall: 3526.38, 0.00317206/step, 3.42441 hours remaining, 238.316406 MB of memory in use. ENERGY: 1113600 4006.8098 20482.0700 14417.2540 250.4559 -203187.9753 2336.2381 0.0000 0.0000 52043.4346 -109651.7129 299.0943 -161695.1476 -109279.1998 298.0995 -195.7646 -166.2687 760985.8652 -13.0152 -13.1471 PRESSURE: 1113800 -420.517 -0.410179 -299.014 -0.409591 -177.489 181.817 -299.014 181.817 336.848 GPRESSURE: 1113800 -285.873 -30.9025 -215.513 -20.4649 -74.281 138.245 -213.164 98.9888 178.308 PRESSAVG: 1113800 -53.8965 60.2458 23.8919 60.2458 44.9409 -3.63778 23.8919 -3.63773 -8.99547 GPRESSAVG: 1113800 -51.8556 58.5706 24.7929 61.3959 44.4397 -1.72329 26.7402 -4.65171 -10.2488 TIMING: 1113800 CPU: 3527.02, 0.00318636/step Wall: 3527.02, 0.00318636/step, 3.43967 hours remaining, 238.316406 MB of memory in use. ENERGY: 1113800 3948.0554 20556.4572 14484.4049 228.4883 -203687.0273 2770.1197 0.0000 0.0000 52166.3139 -109533.1879 299.8005 -161699.5017 -109170.7702 298.5021 -87.0524 -60.6153 761678.2989 -5.9837 -5.8882 PRESSURE: 1114000 -296.051 17.3468 -156.266 17.3472 -215.615 43.637 -156.266 43.6377 -33.1702 GPRESSURE: 1114000 -281.949 -62.4855 -193.171 22.3835 -77.7344 -76.573 -90.0774 102.68 -92.1821 PRESSAVG: 1114000 -100.535 -36.3515 -14.6679 -36.3514 80.0669 -19.8959 -14.668 -19.8958 -3.91065 GPRESSAVG: 1114000 -101.568 -34.6211 -14.5467 -38.0151 78.8613 -20.7003 -14.0954 -20.7448 -2.07521 TIMING: 1114000 CPU: 3527.65, 0.00317498/step Wall: 3527.65, 0.00317498/step, 3.42721 hours remaining, 238.316406 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: 1114000 4057.6367 20539.5398 14487.2525 269.1150 -203502.2921 2578.7992 0.0000 0.0000 51980.7886 -109589.1602 298.7343 -161569.9488 -109218.7450 298.6712 -181.6121 -150.6218 763089.1249 -8.1263 -8.2605 PRESSURE: 1114200 182.444 -41.9565 -80.4438 -41.956 227.48 163.748 -80.4438 163.748 -99.2239 GPRESSURE: 1114200 171.296 -140.742 -120.423 16.4153 282.013 191.76 46.4067 62.8935 -74.1884 PRESSAVG: 1114200 -62.4993 10.7078 21.1655 10.7078 59.6736 -11.5618 21.1655 -11.5618 -4.67217 GPRESSAVG: 1114200 -61.9132 9.67073 21.2463 11.9852 60.201 -10.9093 20.8992 -13.5259 -5.968 TIMING: 1114200 CPU: 3528.28, 0.00314508/step Wall: 3528.28, 0.00314508/step, 3.39477 hours remaining, 238.316406 MB of memory in use. ENERGY: 1114200 4006.8713 20560.5609 14440.8725 251.6188 -203673.1375 2653.3058 0.0000 0.0000 52120.2223 -109639.6860 299.5356 -161759.9083 -109285.9444 299.0774 103.5669 126.3734 761618.6322 -2.4993 -2.5601 PRESSURE: 1114400 -304.21 394.802 136.949 394.804 11.8955 16.2112 136.949 16.2112 254.754 GPRESSURE: 1114400 -265.566 429.708 144.137 236.778 46.7513 112.155 110.995 -75.8615 253.427 PRESSAVG: 1114400 -22.0509 40.8454 33.3072 40.8455 28.7 -19.0204 33.3072 -19.0204 -8.89003 GPRESSAVG: 1114400 -22.7942 42.0778 33.4069 41.7708 29.4865 -21.0229 33.3439 -16.5899 -10.1811 TIMING: 1114400 CPU: 3528.91, 0.00314684/step Wall: 3528.91, 0.00314684/step, 3.39649 hours remaining, 238.316406 MB of memory in use. ENERGY: 1114400 3916.0199 20637.7859 14515.0985 239.8177 -203912.8838 2817.6952 0.0000 0.0000 52014.6606 -109771.8060 298.9290 -161786.4666 -109397.0234 298.7014 -12.5201 11.5374 762713.4872 -0.7470 -1.1629 PRESSURE: 1114600 -50.9653 54.8349 -197.957 54.8344 -319.332 -158.998 -197.957 -158.999 255.378 GPRESSURE: 1114600 -60.0587 135.301 -206.559 27.9648 -200.904 -153.329 -233.485 -99.2912 224.164 PRESSAVG: 1114600 -11.711 27.3773 -6.46845 27.3772 -21.3117 -9.86935 -6.46851 -9.86922 2.80755 GPRESSAVG: 1114600 -12.0919 25.9677 -5.98942 26.9474 -21.7956 -10.0446 -5.82804 -9.42214 2.85141 TIMING: 1114600 CPU: 3529.54, 0.00316631/step Wall: 3529.54, 0.00316631/step, 3.41732 hours remaining, 238.316406 MB of memory in use. ENERGY: 1114600 4002.0925 20408.5283 14503.0783 254.1341 -204083.0655 3046.8106 0.0000 0.0000 51990.0165 -109878.4051 298.7873 -161868.4217 -109511.2977 298.6863 -38.3064 -12.2661 762628.4944 -10.0717 -10.3454 PRESSURE: 1114800 -199.042 -196.556 -15.2941 -196.556 170.473 -158.979 -15.2945 -158.978 24.7863 GPRESSURE: 1114800 -104.345 -179.145 -60.4224 -272.705 150.81 -108.995 0.0672824 -211.184 14.4124 PRESSAVG: 1114800 51.9767 -23.54 12.6218 -23.54 -9.36728 0.00179073 12.6217 0.00171707 0.144767 GPRESSAVG: 1114800 52.3162 -23.928 11.9592 -22.9706 -8.65795 0.781498 11.8213 -2.16116 -0.955506 TIMING: 1114800 CPU: 3530.18, 0.0031668/step Wall: 3530.18, 0.0031668/step, 3.41768 hours remaining, 238.316406 MB of memory in use. ENERGY: 1114800 3962.9543 20451.4968 14497.9452 248.4161 -203429.3086 2622.6763 0.0000 0.0000 51889.8747 -109755.9452 298.2118 -161645.8199 -109390.4151 298.5703 -1.2611 20.2922 762535.2398 14.2514 14.2343 PRESSURE: 1115000 -25.1148 219.15 26.1923 219.149 108.127 -142.999 26.1924 -142.999 507.899 GPRESSURE: 1115000 22.1365 175.346 39.7901 232.064 84.1921 -258.65 85.5295 -97.7681 565.6 PRESSAVG: 1115000 42.0499 1.02595 31.2345 1.02594 -19.6752 -2.11191 31.2345 -2.11189 -20.9778 GPRESSAVG: 1115000 42.6948 0.904665 33.4758 -1.72571 -21.1676 -2.4756 29.9864 1.40996 -20.1216 TIMING: 1115000 CPU: 3530.81, 0.00316097/step Wall: 3530.81, 0.00316097/step, 3.41121 hours remaining, 238.316406 MB of memory in use. ENERGY: 1115000 3896.2050 20432.8420 14460.3823 245.0705 -203983.1115 3078.6342 0.0000 0.0000 52043.1809 -109826.7967 299.0929 -161869.9776 -109473.1673 298.0982 196.9705 223.9762 761986.3647 0.4657 0.4685 PRESSURE: 1115200 -53.9929 -10.6082 -104.191 -10.6085 -42.6348 138.488 -104.192 138.487 471.471 GPRESSURE: 1115200 -103.453 93.0867 4.71935 23.6774 77.4976 72.8753 -67.8702 46.1204 491.263 PRESSAVG: 1115200 53.0811 -11.5689 3.63445 -11.5688 -41.0274 30.8027 3.63449 30.8027 9.24086 GPRESSAVG: 1115200 53.8359 -11.9442 2.89162 -8.91026 -39.6166 31.7399 3.11247 26.5667 6.74512 TIMING: 1115200 CPU: 3531.45, 0.00319089/step Wall: 3531.45, 0.00319089/step, 3.44332 hours remaining, 238.316406 MB of memory in use. ENERGY: 1115200 3915.4602 20513.0150 14501.2545 253.1190 -203897.9452 2828.5548 0.0000 0.0000 51804.7930 -110081.7487 297.7229 -161886.5417 -109728.5176 297.9217 124.9478 155.1025 762987.0974 7.0982 6.9881 PRESSURE: 1115400 -324.988 15.1607 97.0993 15.161 -164.274 -59.5577 97.0993 -59.5586 441.034 GPRESSURE: 1115400 -266.052 4.49879 163.684 51.2097 -158.096 3.56421 126.859 5.78729 469.243 PRESSAVG: 1115400 5.05398 -28.339 27.0457 -28.339 -31.3566 23.7838 27.0456 23.7838 -12.0921 GPRESSAVG: 1115400 4.67546 -27.1917 26.0396 -27.4255 -32.2618 23.955 28.8636 25.1883 -11.5474 TIMING: 1115400 CPU: 3532.08, 0.0031756/step Wall: 3532.08, 0.0031756/step, 3.42665 hours remaining, 238.316406 MB of memory in use. ENERGY: 1115400 3982.3911 20461.3014 14539.0270 247.4482 -203960.9756 2779.5803 0.0000 0.0000 51855.2397 -110095.9878 298.0128 -161951.2275 -109739.8213 297.9891 -16.0762 15.0320 759569.5358 -12.7982 -13.0446 PRESSURE: 1115600 -212.001 187.713 64.0074 187.712 105.133 -193.314 64.0066 -193.313 349.292 GPRESSURE: 1115600 -17.4757 173.422 123.654 96.0254 46.5149 -254.116 128.984 -190.746 287.401 PRESSAVG: 1115600 30.2305 -44.6897 58.3984 -44.6897 5.33103 0.711488 58.3984 0.711495 -17.3178 GPRESSAVG: 1115600 30.5585 -46.346 58.4239 -44.7903 4.06609 1.13651 56.5659 1.06728 -16.5678 TIMING: 1115600 CPU: 3532.72, 0.00318077/step Wall: 3532.72, 0.00318077/step, 3.43205 hours remaining, 238.316406 MB of memory in use. ENERGY: 1115600 3970.0686 20479.2310 14507.8867 244.2952 -203397.4773 2465.5991 0.0000 0.0000 51996.4508 -109733.9459 298.8243 -161730.3967 -109374.6022 297.9276 80.8082 105.4800 761106.2252 6.0813 6.0189 PRESSURE: 1115800 -278.846 -178.183 -178.639 -178.182 347.715 177.91 -178.638 177.909 -107.791 GPRESSURE: 1115800 -225.165 -115.771 -280.867 -117.675 290.077 256.541 -217.571 146.198 -17.1194 PRESSAVG: 1115800 5.17345 -40.3352 7.3973 -40.3351 19.912 -43.2902 7.39733 -43.2903 3.38235 GPRESSAVG: 1115800 3.07816 -38.3478 9.30371 -41.9899 21.1651 -43.0709 7.49957 -46.0375 4.53615 TIMING: 1115800 CPU: 3533.35, 0.00316741/step Wall: 3533.35, 0.00316741/step, 3.41746 hours remaining, 238.316406 MB of memory in use. ENERGY: 1115800 4003.5874 20540.6448 14388.0645 237.5607 -203135.1452 2381.1212 0.0000 0.0000 51991.9119 -109592.2547 298.7982 -161584.1666 -109226.9673 298.9020 -12.9740 15.9309 760850.1492 9.4893 9.5931 PRESSURE: 1116000 -140.79 -48.9368 -100.816 -48.9375 -284.709 -62.1714 -100.816 -62.1707 365.707 GPRESSURE: 1116000 -125.76 -0.37979 -10.5696 -144.954 -174.073 -81.0229 -162.558 37.1089 302.481 PRESSAVG: 1116000 -77.5863 -8.97809 12.038 -8.9781 22.4426 -9.76881 12.038 -9.7687 15.8937 GPRESSAVG: 1116000 -77.6148 -10.5601 10.5711 -8.06813 22.9053 -8.73593 10.0178 -10.0269 14.4822 TIMING: 1116000 CPU: 3533.98, 0.00316012/step Wall: 3533.98, 0.00316012/step, 3.40941 hours remaining, 238.316406 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: 1116000 3990.1737 20486.4457 14473.4604 240.6618 -202933.5592 2199.9965 0.0000 0.0000 52015.9330 -109526.8881 298.9363 -161542.8211 -109166.7060 298.8095 -19.9305 0.8829 761938.1203 -13.0833 -13.4091 PRESSURE: 1116200 96.3274 -113.607 35.1126 -113.607 150.427 99.6308 35.1134 99.6312 351.451 GPRESSURE: 1116200 67.6378 -5.96848 87.2344 -103.125 218.818 90.9995 101.248 164.519 395.252 PRESSAVG: 1116200 1.13785 -46.1319 -7.63805 -46.1318 8.58606 -13.6036 -7.63801 -13.6036 -30.7215 GPRESSAVG: 1116200 1.22317 -45.2617 -8.95832 -47.4497 7.84449 -16.2844 -6.38341 -10.3119 -29.7556 TIMING: 1116200 CPU: 3534.61, 0.00314232/step Wall: 3534.61, 0.00314231/step, 3.39003 hours remaining, 238.316406 MB of memory in use. ENERGY: 1116200 3867.6822 20481.8713 14561.1017 269.9112 -203897.6898 2970.6201 0.0000 0.0000 52236.6628 -109509.8404 300.2048 -161746.5032 -109149.3643 299.2986 199.4019 227.2360 760891.5633 -6.9992 -6.8960 LDB: ============= START OF LOAD BALANCING ============== 3547.07 LDB: ============== END OF LOAD BALANCING =============== 3547.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3547.07 LDB: ============= START OF LOAD BALANCING ============== 3547.39 LDB: Largest compute 7077 load 0.035648 is 18.3% of average load 0.195059 LDB: Average compute 0.004419 is 2.3% of average load 0.195059 LDB: TIME 3547.39 LOAD: AVG 0.195059 MAX 0.210863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.16 MB LDB: TIME 3547.39 LOAD: AVG 0.195059 MAX 0.210863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: TIME 3547.39 LOAD: AVG 0.195059 MAX 0.210863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: ============== END OF LOAD BALANCING =============== 3547.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3547.4 PRESSURE: 1116400 88.4248 -289.194 29.8203 -289.194 30.7902 -13.4606 29.8209 -13.46 -238.113 GPRESSURE: 1116400 172.802 -377.435 -18.5313 -260.695 22.9492 -89.4638 134.011 -71.7243 -230.28 PRESSAVG: 1116400 28.6838 -1.11619 -38.1934 -1.11618 5.32384 19.1299 -38.1934 19.13 21.3588 GPRESSAVG: 1116400 29.7325 0.575859 -36.0198 -2.09399 5.36601 20.5446 -37.172 17.2517 21.1833 TIMING: 1116400 CPU: 3535.26, 0.00325319/step Wall: 3535.26, 0.00325319/step, 3.50947 hours remaining, 238.625000 MB of memory in use. ENERGY: 1116400 3972.7186 20462.4177 14448.6931 251.4179 -203193.0717 2464.3531 0.0000 0.0000 52229.2859 -109364.1854 300.1624 -161593.4714 -109000.2091 299.6023 -39.6326 -11.5095 761100.1160 18.4555 18.7606 PRESSURE: 1116600 -464.202 -5.80257 -325.099 -5.80244 47.9502 -133.48 -325.099 -133.481 -199.873 GPRESSURE: 1116600 -284.548 62.1121 -391.034 96.4215 -2.03375 -109.873 -219.174 -93.9986 -232.554 PRESSAVG: 1116600 -16.8537 -20.3739 -23.8931 -20.3739 -2.60327 -55.0834 -23.8931 -55.0834 -8.21749 GPRESSAVG: 1116600 -17.2658 -21.9879 -25.4558 -18.5618 -2.65139 -54.5547 -24.7256 -56.2009 -8.60359 TIMING: 1116600 CPU: 3535.9, 0.00317803/step Wall: 3535.9, 0.00317803/step, 3.42821 hours remaining, 238.625000 MB of memory in use. ENERGY: 1116600 3936.0493 20539.0806 14469.2439 227.6720 -203418.6973 2619.2579 0.0000 0.0000 52241.8332 -109385.5604 300.2345 -161627.3936 -109026.0307 299.8180 -205.3751 -173.0453 762541.5972 -9.2248 -9.5069 PRESSURE: 1116800 584.578 -46.3089 285.649 -46.3093 302.221 -81.8021 285.649 -81.8022 349.608 GPRESSURE: 1116800 656.422 5.51517 295.842 -85.5301 257.501 -34.4709 227.372 -7.45479 407.667 PRESSAVG: 1116800 47.9403 -14.5121 33.5394 -14.5121 -39.4873 -46.4761 33.5394 -46.4761 2.81349 GPRESSAVG: 1116800 48.9684 -13.9447 35.6192 -14.9255 -39.5417 -47.0429 33.5647 -44.1222 2.138 TIMING: 1116800 CPU: 3536.53, 0.0031669/step Wall: 3536.53, 0.0031669/step, 3.41603 hours remaining, 238.625000 MB of memory in use. ENERGY: 1116800 3956.5559 20637.5620 14502.1835 240.9237 -203247.3167 2483.5524 0.0000 0.0000 52084.7752 -109341.7640 299.3319 -161426.5392 -108991.0981 299.2282 412.1356 440.5302 759881.7799 3.7555 3.8549 PRESSURE: 1117000 -123.196 -18.3503 145.596 -18.35 288.253 -64.9624 145.596 -64.9629 -13.5948 GPRESSURE: 1117000 -74.2106 34.0881 160.115 4.8599 351.731 -140.653 159.007 -152.638 -56.501 PRESSAVG: 1117000 27.0083 15.6972 22.912 15.6973 -36.6456 -23.0697 22.9121 -23.0697 1.39616 GPRESSAVG: 1117000 25.5622 14.3997 21.5962 17.0815 -36.1154 -22.8668 22.5937 -24.1172 1.97426 TIMING: 1117000 CPU: 3537.16, 0.00315642/step Wall: 3537.16, 0.00315642/step, 3.40455 hours remaining, 238.625000 MB of memory in use. ENERGY: 1117000 3994.8238 20543.1282 14509.2689 244.1596 -203369.0340 2490.9731 0.0000 0.0000 51951.3437 -109635.3367 298.5651 -161586.6804 -109272.6134 298.5948 50.4876 73.6731 759904.3796 -2.7470 -2.8597 PRESSURE: 1117200 -39.7186 -147.012 278.63 -147.012 -116.308 -222.653 278.63 -222.653 144.586 GPRESSURE: 1117200 98.8026 -99.1551 276.216 63.4635 -81.6512 -228.099 114.232 -207.502 54.2927 PRESSAVG: 1117200 -10.4074 5.42611 -26.9762 5.42608 14.5778 -5.65444 -26.9762 -5.65443 -7.29053 GPRESSAVG: 1117200 -10.1887 5.18643 -25.4217 7.22629 14.0747 -5.26197 -28.0377 -6.48797 -6.94154 TIMING: 1117200 CPU: 3537.8, 0.00316812/step Wall: 3537.8, 0.00316812/step, 3.41699 hours remaining, 238.625000 MB of memory in use. ENERGY: 1117200 4011.1621 20567.8107 14471.5742 253.6631 -203215.2999 2432.4671 0.0000 0.0000 52084.9619 -109393.6608 299.3330 -161478.6227 -109035.4238 298.9194 -3.8137 23.8147 762619.6275 -1.0401 -1.0185 PRESSURE: 1117400 86.4028 210.871 58.995 210.873 264.813 116.894 58.9949 116.893 344.376 GPRESSURE: 1117400 42.2938 122.819 70.4376 172.789 418.101 1.39805 35.5604 150.175 321.556 PRESSAVG: 1117400 11.8524 46.073 13.6885 46.0729 -7.59023 11.3899 13.6886 11.3899 17.9657 GPRESSAVG: 1117400 10.7937 46.5032 12.0651 42.9488 -6.77994 11.114 11.9316 12.0938 17.9925 TIMING: 1117400 CPU: 3538.43, 0.00314994/step Wall: 3538.43, 0.00314994/step, 3.39721 hours remaining, 238.625000 MB of memory in use. ENERGY: 1117400 3895.5779 20587.1503 14418.0005 251.6027 -203213.3425 2782.9030 0.0000 0.0000 51828.1399 -109449.9682 297.8570 -161278.1081 -109092.8628 299.4968 231.8642 260.6502 761137.0013 7.4093 7.3354 PRESSURE: 1117600 42.9442 -107.904 -174.688 -107.904 119.061 322.834 -174.688 322.834 -225.233 GPRESSURE: 1117600 52.2292 -177.555 -202.389 -33.2259 131.279 253.989 -49.2725 230.398 -174.639 PRESSAVG: 1117600 3.25117 62.0656 50.7719 62.0656 -9.03401 -5.60039 50.7719 -5.60028 10.9016 GPRESSAVG: 1117600 4.31579 64.5641 50.9611 62.3518 -9.90257 -6.64515 52.4721 -4.01798 11.0051 TIMING: 1117600 CPU: 3539.06, 0.00318006/step Wall: 3539.06, 0.00318006/step, 3.42952 hours remaining, 238.625000 MB of memory in use. ENERGY: 1117600 3931.6206 20483.9035 14384.8959 233.6883 -202983.8489 2406.5841 0.0000 0.0000 52153.6163 -109389.5401 299.7275 -161543.1565 -109022.8813 298.9653 -21.0761 2.9563 760641.3452 1.7062 1.8061 PRESSURE: 1117800 -283.47 47.502 -93.3959 47.5018 13.774 -195.955 -93.3965 -195.955 -188.387 GPRESSURE: 1117800 -175.158 -40.0569 -60.6954 89.9638 -41.4985 -183.027 -73.7809 -108.647 -182.399 PRESSAVG: 1117800 2.96038 -7.8313 9.35389 -7.83125 -23.887 32.2066 9.35391 32.2066 -8.26604 GPRESSAVG: 1117800 3.68135 -9.26333 9.75076 -8.3035 -23.8024 32.6736 9.95536 30.574 -9.16577 TIMING: 1117800 CPU: 3539.69, 0.00316204/step Wall: 3539.69, 0.00316204/step, 3.40991 hours remaining, 238.625000 MB of memory in use. ENERGY: 1117800 3965.6513 20564.8607 14433.9723 217.2396 -202962.8494 2289.1306 0.0000 0.0000 52221.0226 -109270.9723 300.1149 -161491.9949 -108914.9829 299.2105 -152.6944 -133.0186 761275.7011 -9.7309 -9.7623 PRESSURE: 1118000 -4.42372 4.3151 -129.14 4.31514 38.8084 -140.437 -129.141 -140.437 -139.369 GPRESSURE: 1118000 27.9855 93.7725 -124.357 49.1671 138.979 -112.466 -46.4414 -68.2018 -192.347 PRESSAVG: 1118000 0.0350985 15.2093 11.0318 15.2093 6.46064 7.03724 11.0318 7.0373 3.55462 GPRESSAVG: 1118000 -1.04666 15.7988 9.86292 14.8837 7.36407 7.68823 10.5154 6.51521 3.2001 TIMING: 1118000 CPU: 3540.33, 0.00316725/step Wall: 3540.33, 0.00316725/step, 3.41535 hours remaining, 238.625000 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: 1118000 4005.7038 20456.6408 14475.0370 245.4401 -203162.5984 2654.0607 0.0000 0.0000 52048.8760 -109276.8400 299.1256 -161325.7160 -108914.7598 299.4065 -34.9947 -8.4607 761902.5182 3.3501 3.1725 PRESSURE: 1118200 96.4835 103.916 -88.7558 103.915 -116.456 57.0446 -88.7562 57.0441 361.18 GPRESSURE: 1118200 76.9826 104.403 -130.383 66.9035 -79.2711 80.8612 -105.838 83.4384 423.855 PRESSAVG: 1118200 45.3136 -18.5709 17.4022 -18.5709 -15.9125 -32.9141 17.4022 -32.9141 6.77945 GPRESSAVG: 1118200 44.1073 -18.8493 17.9012 -17.7071 -16.33 -34.2974 15.352 -31.0163 8.18006 TIMING: 1118200 CPU: 3540.96, 0.00316918/step Wall: 3540.96, 0.00316918/step, 3.41726 hours remaining, 238.625000 MB of memory in use. ENERGY: 1118200 4011.4507 20558.6997 14458.4307 245.1339 -203495.8661 2655.5039 0.0000 0.0000 52167.0555 -109399.5917 299.8048 -161566.6472 -109041.2160 299.3596 113.7360 140.5221 760466.6561 12.0602 11.9858 PRESSURE: 1118400 -67.6364 -28.8316 47.8561 -28.831 -357.873 -87.5673 47.8568 -87.5677 175.466 GPRESSURE: 1118400 2.85004 83.9052 -15.1121 25.2032 -341.867 -13.4848 2.70743 -96.4567 173.865 PRESSAVG: 1118400 50.4304 19.7033 15.1613 19.7033 -27.3582 4.85825 15.1614 4.85824 5.11386 GPRESSAVG: 1118400 50.9123 20.1571 15.9427 18.8483 -26.6323 5.29964 16.7468 4.3838 4.01309 TIMING: 1118400 CPU: 3541.6, 0.00316901/step Wall: 3541.6, 0.00316901/step, 3.4169 hours remaining, 238.625000 MB of memory in use. ENERGY: 1118400 3966.4424 20582.6332 14436.2838 263.2025 -203553.6224 2446.1953 0.0000 0.0000 52287.0456 -109571.8196 300.4944 -161858.8652 -109222.2390 299.1366 -83.3481 -55.0507 760774.5361 9.3954 9.4310 PRESSURE: 1118600 27.8511 -220.31 223.505 -220.311 -7.25831 112.37 223.506 112.37 -325.442 GPRESSURE: 1118600 -13.8921 -226.592 266.374 -231.239 61.421 148.614 246.107 75.0916 -273.969 PRESSAVG: 1118600 21.1063 22.1581 35.0706 22.1581 -10.9138 -9.10936 35.0707 -9.10947 24.6697 GPRESSAVG: 1118600 21.0576 21.0574 34.4548 22.0832 -11.3517 -6.59318 34.0505 -9.10165 25.3184 TIMING: 1118600 CPU: 3542.23, 0.00314917/step Wall: 3542.23, 0.00314917/step, 3.39533 hours remaining, 238.625000 MB of memory in use. ENERGY: 1118600 3965.2113 20467.3823 14478.3640 244.2679 -203466.0590 2594.5302 0.0000 0.0000 52131.4444 -109584.8590 299.6001 -161716.3034 -109214.3567 298.9172 -101.6165 -75.4800 759493.3657 11.6207 11.6748 PRESSURE: 1118800 221.716 138.067 103.004 138.068 98.3846 78.7995 103.005 78.799 0.30668 GPRESSURE: 1118800 194.72 12.4254 74.0917 52.6325 60.3607 39.829 109.635 199.818 131.632 PRESSAVG: 1118800 -31.3007 -7.06565 23.4001 -7.06566 50.8896 -10.6362 23.4001 -10.6362 19.8434 GPRESSAVG: 1118800 -29.5017 -7.73818 24.1157 -5.09308 48.9668 -13.0127 25.7913 -9.07096 19.952 TIMING: 1118800 CPU: 3542.86, 0.00315434/step Wall: 3542.86, 0.00315434/step, 3.40073 hours remaining, 238.625000 MB of memory in use. ENERGY: 1118800 3981.8061 20419.5986 14415.1129 275.7272 -203586.2477 2520.1559 0.0000 0.0000 52351.6650 -109622.1818 300.8657 -161973.8469 -109253.8651 299.2083 106.8025 128.9041 760447.5658 13.1441 13.1390 PRESSURE: 1119000 127.474 83.8775 -126.077 83.877 -71.5931 -202.121 -126.076 -202.121 -84.7316 GPRESSURE: 1119000 139.391 114.771 -152.082 93.2656 25.1104 -180.776 -124.467 -119.623 -120.011 PRESSAVG: 1119000 38.6111 -43.1669 -46.4164 -43.1669 -36.2092 -27.5126 -46.4164 -27.5126 18.8485 GPRESSAVG: 1119000 35.8557 -41.3507 -47.1127 -43.5127 -33.577 -28.4847 -46.158 -28.5723 19.1167 TIMING: 1119000 CPU: 3543.49, 0.00315618/step Wall: 3543.49, 0.00315619/step, 3.40254 hours remaining, 238.625000 MB of memory in use. ENERGY: 1119000 3993.2271 20592.0358 14420.3218 264.2573 -203365.9422 2593.3858 0.0000 0.0000 51962.8932 -109539.8211 298.6315 -161502.7143 -109189.5801 298.6574 -9.6169 14.8301 761438.6738 7.0834 7.1318 PRESSURE: 1119200 -168.348 173.745 105.016 173.745 -363.386 58.178 105.015 58.179 -190.006 GPRESSURE: 1119200 -195.149 107.86 69.2982 195.615 -270.463 218.218 117.711 3.45943 -175.39 PRESSAVG: 1119200 17.1623 -18.5665 -0.370492 -18.5664 -28.075 -1.90423 -0.370544 -1.90429 -4.08544 GPRESSAVG: 1119200 17.9949 -20.2013 -0.55622 -17.7901 -27.957 -0.504326 -1.88954 -3.37855 -5.16155 TIMING: 1119200 CPU: 3544.12, 0.00314513/step Wall: 3544.12, 0.00314513/step, 3.39045 hours remaining, 238.625000 MB of memory in use. ENERGY: 1119200 4044.2345 20553.4254 14459.6357 238.5439 -203277.5046 2311.6020 0.0000 0.0000 52035.1061 -109634.9571 299.0465 -161670.0632 -109270.5954 298.8726 -240.5802 -213.6674 763106.8660 -4.9994 -5.0412 PRESSURE: 1119400 -218.073 -14.3915 -115.256 -14.3907 -106.239 80.8637 -115.256 80.8641 314.09 GPRESSURE: 1119400 -163.044 -68.0867 -129.906 -108.678 -47.9496 107.436 -35.5207 32.9128 265.841 PRESSAVG: 1119400 28.9477 -3.31407 61.8445 -3.31402 -37.1495 -5.5965 61.8445 -5.59649 -4.92081 GPRESSAVG: 1119400 29.2069 -3.66391 62.3047 -4.58794 -37.8107 -6.79164 62.4134 -2.48454 -4.60512 TIMING: 1119400 CPU: 3544.75, 0.00314206/step Wall: 3544.75, 0.00314206/step, 3.38696 hours remaining, 238.625000 MB of memory in use. ENERGY: 1119400 3976.7064 20500.3773 14448.1978 240.1734 -203596.8737 2627.3628 0.0000 0.0000 52157.9861 -109646.0698 299.7527 -161804.0559 -109284.2306 298.4318 -3.4075 18.2825 761713.7852 -4.3742 -4.4030 PRESSURE: 1119600 -124.885 42.1039 126.916 42.1038 -299.403 -164.457 126.916 -164.458 -501.075 GPRESSURE: 1119600 -30.6244 25.197 277.336 50.0212 -283.839 -178.647 63.3126 -51.2487 -527.333 PRESSAVG: 1119600 27.9516 0.375024 6.49474 0.37494 -30.9063 -5.98728 6.49473 -5.98723 13.9629 GPRESSAVG: 1119600 27.9903 1.29714 5.71627 -1.57109 -30.6765 -4.77119 6.98781 -7.55297 13.6659 TIMING: 1119600 CPU: 3545.38, 0.00316261/step Wall: 3545.38, 0.00316261/step, 3.40894 hours remaining, 238.625000 MB of memory in use. ENERGY: 1119600 3986.6106 20409.6066 14468.3560 255.8055 -203397.5193 2553.8806 0.0000 0.0000 51991.7566 -109731.5036 298.7973 -161723.2602 -109363.1464 298.5449 -308.4544 -280.5989 762218.8921 3.6694 3.6599 PRESSURE: 1119800 78.3174 213.398 76.2644 213.398 -103.673 -81.9751 76.2649 -81.975 -364.822 GPRESSURE: 1119800 94.9283 191.504 -46.7022 99.7549 -118.82 -72.4656 139.83 -139.785 -285.227 PRESSAVG: 1119800 -7.80846 -2.50775 5.16179 -2.50769 11.1491 37.7175 5.16179 37.7175 -17.2804 GPRESSAVG: 1119800 -8.20058 -2.56475 6.42646 -0.704245 10.794 36.5438 4.84837 38.9307 -16.7833 TIMING: 1119800 CPU: 3546.01, 0.00315137/step Wall: 3546.01, 0.00315137/step, 3.39666 hours remaining, 238.625000 MB of memory in use. ENERGY: 1119800 4026.6693 20609.4119 14469.9000 239.0220 -203127.0569 2403.9562 0.0000 0.0000 52068.1528 -109309.9446 299.2364 -161378.0974 -108950.9671 299.3136 -130.0591 -103.0396 761822.0035 -4.6466 -4.7300 PRESSURE: 1120000 -52.7318 -114.675 102.484 -114.675 93.1041 -77.369 102.483 -77.3688 337.411 GPRESSURE: 1120000 27.7169 -121.804 85.9856 -99.7845 160.457 -26.3771 156.348 -149.961 282.398 PRESSAVG: 1120000 -74.1779 10.44 -19.5284 10.44 -27.4431 -41.2191 -19.5283 -41.2191 -6.6263 GPRESSAVG: 1120000 -73.6439 11.5917 -20.338 8.01359 -28.4261 -40.3341 -20.9382 -43.6849 -6.63012 TIMING: 1120000 CPU: 3546.64, 0.00314444/step Wall: 3546.64, 0.00314444/step, 3.38901 hours remaining, 238.625000 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: 1120000 4014.0550 20498.4938 14469.1351 244.3496 -203236.5751 2588.9839 0.0000 0.0000 51954.6624 -109466.8953 298.5842 -161421.5577 -109099.4839 300.0201 125.9280 156.8572 762658.4246 -36.0824 -36.2334 PRESSURE: 1120200 102.679 -21.6758 47.262 -21.6761 -191.85 -282.603 47.2625 -282.603 309.6 GPRESSURE: 1120200 20.3565 -21.2083 31.9953 39.8926 -32.4555 -171.035 130.803 -217.387 322.699 PRESSAVG: 1120200 3.17105 5.20475 66.0203 5.2047 -33.8829 -59.023 66.0202 -59.023 17.7233 GPRESSAVG: 1120200 2.71808 5.18361 65.3885 7.11423 -33.5265 -58.6914 68.318 -57.3602 17.3119 TIMING: 1120200 CPU: 3547.27, 0.0031576/step Wall: 3547.27, 0.0031576/step, 3.40301 hours remaining, 238.625000 MB of memory in use. ENERGY: 1120200 3996.1224 20369.6950 14453.7664 249.0320 -203502.4373 2763.9711 0.0000 0.0000 52223.6905 -109446.1599 300.1303 -161669.8504 -109072.0192 299.8874 73.4761 103.5334 763538.8473 -4.3295 -4.4988 LDB: ============= START OF LOAD BALANCING ============== 3559.72 LDB: ============== END OF LOAD BALANCING =============== 3559.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3559.72 LDB: ============= START OF LOAD BALANCING ============== 3560.04 LDB: Largest compute 7031 load 0.034833 is 17.8% of average load 0.195158 LDB: Average compute 0.004428 is 2.3% of average load 0.195158 LDB: TIME 3560.04 LOAD: AVG 0.195158 MAX 0.212231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.891 MB LDB: TIME 3560.04 LOAD: AVG 0.195158 MAX 0.212231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.891 MB LDB: TIME 3560.04 LOAD: AVG 0.195158 MAX 0.212231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.891 MB LDB: ============== END OF LOAD BALANCING =============== 3560.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3560.05 PRESSURE: 1120400 295.806 -152.282 78.6039 -152.282 326.176 170.574 78.6039 170.574 -239.732 GPRESSURE: 1120400 258.053 -133.327 117.645 -144.644 378.281 225.83 26.1271 179.163 -165.918 PRESSAVG: 1120400 61.6881 3.29306 14.4169 3.29311 -55.0375 -15.8483 14.4169 -15.8482 -12.2267 GPRESSAVG: 1120400 61.3443 2.20823 15.5357 1.68464 -55.0552 -15.0396 12.9483 -15.7194 -11.5417 TIMING: 1120400 CPU: 3547.91, 0.00322202/step Wall: 3547.91, 0.00322202/step, 3.47226 hours remaining, 238.113281 MB of memory in use. ENERGY: 1120400 4016.1295 20554.4481 14421.6835 244.9193 -203270.3528 2619.9253 0.0000 0.0000 52098.6259 -109314.6214 299.4115 -161413.2473 -108949.2592 299.6510 127.4168 156.8054 760785.6462 -1.8587 -1.7509 PRESSURE: 1120600 111 -86.6177 -75.8874 -86.6189 -24.0159 -72.7125 -75.8875 -72.713 6.62521 GPRESSURE: 1120600 195.815 -24.1107 -1.41244 -71.3574 17.2019 -45.0939 -106.561 71.7562 -45.0563 PRESSAVG: 1120600 44.1324 -5.44721 1.69908 -5.44723 -32.2747 27.0704 1.69905 27.0704 1.80839 GPRESSAVG: 1120600 45.2372 -5.40246 0.679223 -3.77479 -31.6459 26.111 1.81369 25.7169 0.449659 TIMING: 1120600 CPU: 3548.54, 0.00315357/step Wall: 3548.54, 0.00315357/step, 3.39832 hours remaining, 238.113281 MB of memory in use. ENERGY: 1120600 4023.9060 20387.2829 14404.3238 259.5421 -203357.5941 2512.8584 0.0000 0.0000 52531.8920 -109237.7889 301.9015 -161769.6809 -108866.1121 299.4237 31.2030 55.9869 759193.6135 4.5553 4.6803 PRESSURE: 1120800 -59.8612 173.892 -289.219 173.893 -201.702 -344.384 -289.219 -344.384 -246.873 GPRESSURE: 1120800 -0.181936 211.625 -346.89 129.722 -195.159 -310.787 -284.783 -297.777 -214.902 PRESSAVG: 1120800 65.4319 5.26603 9.73211 5.26599 -35.7654 -56.2376 9.73217 -56.2376 21.1957 GPRESSAVG: 1120800 65.0013 4.6993 10.6504 4.99539 -35.8774 -58.2699 8.81909 -53.483 22.1064 TIMING: 1120800 CPU: 3549.17, 0.00314216/step Wall: 3549.17, 0.00314216/step, 3.38586 hours remaining, 238.113281 MB of memory in use. ENERGY: 1120800 3960.8368 20467.1675 14479.8302 244.9294 -203030.8509 2487.6251 0.0000 0.0000 52250.2906 -109140.1712 300.2831 -161390.4618 -108779.7105 299.5737 -169.4789 -136.7478 762058.3941 16.9541 17.0767 PRESSURE: 1121000 -233.008 1.62145 252.555 1.62209 -389.037 192.28 252.555 192.279 257.898 GPRESSURE: 1121000 -183.484 -46.6873 266.46 17.4083 -234.927 248.823 307.826 113.84 145.038 PRESSAVG: 1121000 70.6425 27.7749 23.1306 27.7749 -67.5191 30.2309 23.1307 30.2309 -22.106 GPRESSAVG: 1121000 72.7921 26.9261 21.9996 28.3427 -67.8528 31.9402 24.1288 29.1847 -23.4717 TIMING: 1121000 CPU: 3549.8, 0.00315399/step Wall: 3549.8, 0.00315399/step, 3.39842 hours remaining, 238.113281 MB of memory in use. ENERGY: 1121000 3994.5623 20541.5642 14486.3811 240.1764 -202921.7097 2460.1442 0.0000 0.0000 52078.7584 -109120.1231 299.2973 -161198.8815 -108758.6692 300.0255 -121.3822 -91.1243 763282.6619 -6.3276 -6.1775 PRESSURE: 1121200 284.322 -112.383 -15.5153 -112.382 193.313 -131.471 -15.5159 -131.471 179.482 GPRESSURE: 1121200 305.333 -129.536 -90.633 -176.437 296.978 -196.296 47.3749 -89.7774 139.483 PRESSAVG: 1121200 0.315616 -20.2258 49.5908 -20.2258 9.6346 -0.710677 49.5907 -0.710713 14.2268 GPRESSAVG: 1121200 -1.93879 -19.337 49.3998 -20.4588 11.3348 1.2401 50.0331 -2.54643 14.6855 TIMING: 1121200 CPU: 3550.44, 0.00317048/step Wall: 3550.44, 0.00317048/step, 3.41602 hours remaining, 238.113281 MB of memory in use. ENERGY: 1121200 3948.9357 20479.7667 14561.3775 247.7929 -203411.8026 2895.7024 0.0000 0.0000 52089.1076 -109189.1198 299.3568 -161278.2274 -108829.1539 299.4948 219.0388 247.2644 761612.9459 8.0590 8.0272 PRESSURE: 1121400 230.402 20.7023 41.7924 20.7022 117.887 119.568 41.7913 119.568 155.309 GPRESSURE: 1121400 145.924 3.58823 27.7358 77.6721 241.751 9.35143 110.388 -32.8917 195.572 PRESSAVG: 1121400 34.5781 -40.0529 -8.0139 -40.0528 -29.7745 53.604 -8.0139 53.6041 -23.3649 GPRESSAVG: 1121400 33.473 -40.2025 -8.64535 -40.3447 -29.9768 51.2021 -7.86023 53.9999 -22.0179 TIMING: 1121400 CPU: 3551.07, 0.00318657/step Wall: 3551.07, 0.00318657/step, 3.43317 hours remaining, 238.113281 MB of memory in use. ENERGY: 1121400 3964.8402 20509.8067 14533.5154 242.0206 -203188.4347 2694.9189 0.0000 0.0000 52031.0945 -109212.2384 299.0234 -161243.3329 -108850.7650 299.4696 167.8659 194.4158 761002.4367 -6.1871 -6.1739 PRESSURE: 1121600 35.0881 -61.4031 174.454 -61.4032 -58.6562 -139.148 174.453 -139.148 322.703 GPRESSURE: 1121600 103.01 16.4452 194.347 -96.3297 -112.661 -95.2859 245.308 -123.174 391.356 PRESSAVG: 1121600 69.8531 -37.9883 24.5366 -37.9883 -79.661 -5.57233 24.5366 -5.57235 -13.0926 GPRESSAVG: 1121600 71.5529 -37.1258 25.4227 -37.62 -80.8328 -6.2125 25.5111 -4.34935 -13.4617 TIMING: 1121600 CPU: 3551.71, 0.00318311/step Wall: 3551.71, 0.00318311/step, 3.42928 hours remaining, 238.113281 MB of memory in use. ENERGY: 1121600 3942.5068 20334.1306 14466.4289 235.2651 -203140.4885 2445.3457 0.0000 0.0000 52379.8128 -109336.9985 301.0275 -161716.8113 -108969.5690 299.4972 99.7115 127.2350 759704.9860 -7.6335 -7.5805 PRESSURE: 1121800 204.754 -21.4285 -8.68423 -21.429 407.705 131.485 -8.68385 131.486 -15.041 GPRESSURE: 1121800 229.041 -42.1965 -1.64145 41.4134 384.37 142.422 -71.2932 183.392 50.7295 PRESSAVG: 1121800 29.9932 -7.857 10.4383 -7.85699 -35.8467 2.76519 10.4382 2.76518 36.7195 GPRESSAVG: 1121800 29.8353 -8.19682 9.55324 -8.08483 -35.7391 2.85946 9.58545 2.71167 37.1668 TIMING: 1121800 CPU: 3552.34, 0.00316624/step Wall: 3552.34, 0.00316624/step, 3.41092 hours remaining, 238.113281 MB of memory in use. ENERGY: 1121800 3935.6117 20541.6014 14509.1916 233.0575 -203216.8797 2432.4378 0.0000 0.0000 52151.6519 -109413.3278 299.7163 -161564.9797 -109043.2058 299.6086 199.1391 221.3802 761735.4315 10.2887 10.4210 PRESSURE: 1122000 -42.9624 1.05828 47.2278 1.05833 -60.4336 90.1148 47.2285 90.1155 380.784 GPRESSURE: 1122000 76.5952 -45.389 30.089 94.0482 -36.8678 64.0684 94.6447 -53.9167 307.533 PRESSAVG: 1122000 -3.35836 -7.43292 36.1494 -7.43298 -19.5354 -36.6952 36.1494 -36.6952 -9.81253 GPRESSAVG: 1122000 -1.87763 -5.55028 37.4932 -7.99186 -19.1526 -34.2059 33.3012 -38.2531 -10.8764 TIMING: 1122000 CPU: 3552.98, 0.00316477/step Wall: 3552.98, 0.00316477/step, 3.40916 hours remaining, 238.113281 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: 1122000 4031.4593 20318.7656 14478.6334 237.4311 -203118.9564 2554.0517 0.0000 0.0000 51964.7912 -109533.8241 298.6424 -161498.6153 -109173.9189 298.7361 92.4625 115.7533 760762.8714 -10.9021 -10.6355 PRESSURE: 1122200 256.104 -144.737 -42.1289 -144.736 76.4409 8.69012 -42.1293 8.68861 242.543 GPRESSURE: 1122200 342.585 -66.7193 -100.746 -239.758 107.985 26.6102 -17.2758 -43.7841 204.24 PRESSAVG: 1122200 17.149 -24.734 42.6361 -24.7339 0.552842 -19.196 42.6361 -19.196 5.8794 GPRESSAVG: 1122200 17.1169 -26.5251 40.9244 -23.4997 1.05029 -20.3821 45.1138 -18.5409 5.92275 TIMING: 1122200 CPU: 3553.61, 0.00316315/step Wall: 3553.61, 0.00316315/step, 3.40724 hours remaining, 238.113281 MB of memory in use. ENERGY: 1122200 3991.7416 20513.8297 14512.8645 263.1328 -203230.9324 2660.7246 0.0000 0.0000 51951.7540 -109336.8852 298.5674 -161288.6393 -108975.1427 298.8322 191.6958 218.2701 761728.2915 7.8604 8.0300 PRESSURE: 1122400 245.076 188.017 -247.051 188.016 53.7446 -287.122 -247.05 -287.122 438.736 GPRESSURE: 1122400 223.961 190.522 -190.404 230.777 208.934 -125.918 -217.325 -294.923 381.9 PRESSAVG: 1122400 65.7821 22.4514 14.8214 22.4515 -33.1399 37.0211 14.8214 37.0211 24.6445 GPRESSAVG: 1122400 65.1728 22.0057 15.8104 21.8234 -33.4202 39.0508 15.0204 36.7951 25.7446 TIMING: 1122400 CPU: 3554.24, 0.00317259/step Wall: 3554.24, 0.00317259/step, 3.41723 hours remaining, 238.113281 MB of memory in use. ENERGY: 1122400 3891.9496 20416.5207 14569.2707 224.4358 -203856.5951 3063.0448 0.0000 0.0000 52392.4289 -109298.9446 301.1000 -161691.3736 -108921.6206 299.1524 245.8523 271.5981 762003.7223 19.0956 19.1658 PRESSURE: 1122600 32.3248 -2.56181 102.141 -2.56224 70.2105 158.101 102.14 158.101 -30.8089 GPRESSURE: 1122600 141.638 77.7332 118.505 -90.0687 42.2297 143.061 11.0477 109.214 -62.0634 PRESSAVG: 1122600 55.8944 -26.3481 80.8582 -26.3481 -98.6623 33.0659 80.8582 33.0659 6.45307 GPRESSAVG: 1122600 55.8302 -25.7884 81.5271 -27.8826 -98.3719 32.4113 80.9046 31.9951 6.52992 TIMING: 1122600 CPU: 3554.88, 0.00316306/step Wall: 3554.88, 0.00316306/step, 3.4068 hours remaining, 238.113281 MB of memory in use. ENERGY: 1122600 3966.7913 20504.1901 14489.0602 257.9689 -202836.9248 2759.0252 0.0000 0.0000 51689.9780 -109169.9111 297.0630 -160859.8891 -108807.7156 299.2898 23.9088 40.6013 762222.3391 -12.1049 -12.0039 PRESSURE: 1122800 31.8277 32.5732 -98.1514 32.573 25.9648 83.9913 -98.1512 83.9926 -166.199 GPRESSURE: 1122800 20.7707 50.2268 48.1079 -33.3909 30.4787 95.1724 3.31572 97.5838 -72.9766 PRESSAVG: 1122800 23.2752 13.7685 38.9556 13.7685 -21.7937 34.4276 38.9556 34.4276 -17.1473 GPRESSAVG: 1122800 22.7171 14.5407 37.6605 13.9129 -22.354 33.5533 39.6262 35.4147 -16.045 TIMING: 1122800 CPU: 3555.51, 0.00317514/step Wall: 3555.51, 0.00317514/step, 3.41963 hours remaining, 238.113281 MB of memory in use. ENERGY: 1122800 4062.9549 20581.7792 14611.4862 259.2644 -203171.9491 2630.4258 0.0000 0.0000 52054.3139 -108971.7247 299.1569 -161026.0386 -108603.3033 299.5085 -36.1355 -7.2424 762204.7098 -5.2219 -5.2273 PRESSURE: 1123000 138.681 -133.485 30.8606 -133.484 -260.684 33.9069 30.8612 33.9071 -235.058 GPRESSURE: 1123000 268.41 -157.747 7.20111 -120.303 -259.37 6.53514 -38.3677 42.3915 -271.5 PRESSAVG: 1123000 53.2783 -13.7399 21.0049 -13.7399 0.704394 2.01444 21.005 2.01448 6.82776 GPRESSAVG: 1123000 54.5004 -14.6674 22.0826 -13.7247 0.969794 2.15325 18.7992 4.22981 5.40704 TIMING: 1123000 CPU: 3556.15, 0.00318995/step Wall: 3556.15, 0.00318996/step, 3.43541 hours remaining, 238.113281 MB of memory in use. ENERGY: 1123000 3989.4936 20578.6844 14474.2025 248.7131 -202729.3364 2254.9350 0.0000 0.0000 52047.0000 -109136.3078 299.1148 -161183.3078 -108777.1922 299.5817 -119.0201 -87.4865 762350.0114 20.2701 20.2924 PRESSURE: 1123200 206.796 43.9277 162.837 43.9275 203.065 -35.0001 162.837 -35.0007 229.884 GPRESSURE: 1123200 252.611 -0.196792 128.372 -10.4215 177.468 -5.5157 118.081 -81.3836 299.944 PRESSAVG: 1123200 5.58595 15.9437 47.3588 15.9437 -64.6761 23.285 47.3588 23.285 -14.3079 GPRESSAVG: 1123200 5.75856 15.3304 46.5026 16.208 -65.2454 21.8945 47.9731 22.999 -13.6527 TIMING: 1123200 CPU: 3556.79, 0.00318953/step Wall: 3556.79, 0.00318953/step, 3.43477 hours remaining, 238.113281 MB of memory in use. ENERGY: 1123200 3954.7277 20368.8627 14456.9581 255.2127 -202896.7675 2803.9712 0.0000 0.0000 52117.0949 -108939.9401 299.5177 -161057.0350 -108580.3120 299.0142 213.2485 243.3410 761389.6149 -24.4660 -24.3798 PRESSURE: 1123400 123.387 -0.165345 -39.9598 -0.165002 210.073 -6.21629 -39.9603 -6.21816 351.973 GPRESSURE: 1123400 206.448 -61.0703 -98.3269 20.6141 260.658 28.2295 124.18 -13.6081 304.196 PRESSAVG: 1123400 29.4893 20.4734 32.6697 20.4734 -35.091 25.2382 32.6696 25.2382 -10.3983 GPRESSAVG: 1123400 28.9104 22.1245 33.9929 20.495 -33.8875 26.7963 34.1728 21.6896 -11.1409 TIMING: 1123400 CPU: 3557.42, 0.00316961/step Wall: 3557.42, 0.00316961/step, 3.41314 hours remaining, 238.113281 MB of memory in use. ENERGY: 1123400 3938.1709 20513.0082 14509.5066 234.4768 -202717.5453 2471.3739 0.0000 0.0000 52109.9165 -108941.0924 299.4764 -161051.0089 -108581.0158 299.9289 228.4778 257.1008 762674.2250 -5.3333 -5.3727 PRESSURE: 1123600 -239.319 -44.0097 146.976 -44.0099 -248.403 349.122 146.976 349.12 -248.558 GPRESSURE: 1123600 -146.148 38.3219 116.059 -77.645 -308.155 332.052 147.895 383.294 -202.966 PRESSAVG: 1123600 -37.6546 35.0962 44.9719 35.0962 45.6037 46.9069 44.9719 46.9069 8.7647 GPRESSAVG: 1123600 -36.1802 36.0349 44.6436 37.217 44.2392 46.8478 44.2604 49.1412 8.44602 TIMING: 1123600 CPU: 3558.06, 0.00318142/step Wall: 3558.06, 0.00318142/step, 3.42568 hours remaining, 238.113281 MB of memory in use. ENERGY: 1123600 3949.7914 20570.7298 14472.8851 237.4872 -202156.5586 2044.3764 0.0000 0.0000 52132.0614 -108749.2274 299.6037 -160881.2887 -108388.9618 299.8426 -245.4269 -219.0898 763669.9821 5.5713 5.5017 PRESSURE: 1123800 -284.635 147.588 83.7863 147.587 311.726 -46.2581 83.7865 -46.2584 308.146 GPRESSURE: 1123800 -186.913 50.7497 102.973 55.5233 281.575 1.31608 137.568 -63.1645 336.796 PRESSAVG: 1123800 36.6056 14.7931 97.7785 14.7932 -12.5572 -6.91497 97.7786 -6.91498 18.0912 GPRESSAVG: 1123800 35.7371 12.8617 97.6129 12.5191 -11.7004 -7.86546 96.7459 -6.11185 18.283 TIMING: 1123800 CPU: 3558.69, 0.00316658/step Wall: 3558.69, 0.00316658/step, 3.40952 hours remaining, 238.113281 MB of memory in use. ENERGY: 1123800 4048.9403 20515.8580 14477.9063 247.7418 -202864.5127 2827.2383 0.0000 0.0000 52007.9090 -108738.9190 298.8902 -160746.8279 -108374.5257 299.4499 111.7455 143.8193 764618.2707 14.0465 14.1066 PRESSURE: 1124000 -302.91 -37.846 131.213 -37.8467 -115.687 -314.504 131.214 -314.504 412.489 GPRESSURE: 1124000 -322.695 -106.203 186.807 -24.4647 -61.3019 -355.73 46.8314 -320.508 464.87 PRESSAVG: 1124000 29.1584 -15.0604 23.8648 -15.0604 -37.4282 -7.35817 23.8647 -7.35823 -11.277 GPRESSAVG: 1124000 29.6709 -14.3216 23.9813 -15.1568 -37.7528 -6.07156 24.8943 -7.56915 -11.2451 TIMING: 1124000 CPU: 3559.33, 0.00318394/step Wall: 3559.33, 0.00318394/step, 3.42804 hours remaining, 238.113281 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: 1124000 3988.6209 20323.5322 14429.4310 229.6430 -202909.9930 2579.7655 0.0000 0.0000 52270.1625 -109088.8378 300.3973 -161359.0003 -108720.8059 299.5711 -2.0361 26.9579 763264.7852 -6.5156 -6.4423 PRESSURE: 1124200 114.31 16.1339 38.8385 16.1339 -174.941 126.938 38.8385 126.938 49.7578 GPRESSURE: 1124200 127.103 17.9396 19.3375 31.978 -51.139 69.0267 -18.0429 190.888 12.419 PRESSAVG: 1124200 10.186 -36.2863 -1.21868 -36.2863 12.4479 61.4944 -1.21871 61.4944 26.7707 GPRESSAVG: 1124200 9.2047 -35.249 -1.15152 -35.385 12.7641 59.1001 -2.19189 60.268 26.8476 TIMING: 1124200 CPU: 3559.96, 0.00317942/step Wall: 3559.96, 0.00317942/step, 3.423 hours remaining, 238.113281 MB of memory in use. ENERGY: 1124200 4069.9637 20516.1754 14496.9232 259.9381 -203062.4265 2735.3714 0.0000 0.0000 51975.9676 -109008.0871 298.7066 -160984.0547 -108650.2457 299.6157 -3.6244 29.4611 762976.5072 16.4682 16.2721 LDB: ============= START OF LOAD BALANCING ============== 3572.42 LDB: ============== END OF LOAD BALANCING =============== 3572.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3572.42 LDB: ============= START OF LOAD BALANCING ============== 3572.74 LDB: Largest compute 7064 load 0.034873 is 17.9% of average load 0.195132 LDB: Average compute 0.004412 is 2.3% of average load 0.195132 LDB: TIME 3572.74 LOAD: AVG 0.195132 MAX 0.215369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.402 MB LDB: TIME 3572.74 LOAD: AVG 0.195132 MAX 0.215369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: TIME 3572.74 LOAD: AVG 0.195132 MAX 0.215369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: ============== END OF LOAD BALANCING =============== 3572.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3572.75 PRESSURE: 1124400 -231.333 126.854 69.6348 126.855 113.223 29.4306 69.6357 29.4309 -394.867 GPRESSURE: 1124400 -239.258 17.378 112.175 92.6493 140.172 142.976 114.269 -56.322 -337.374 PRESSAVG: 1124400 -32.227 5.54295 39.6878 5.54287 10.9766 3.27357 39.6877 3.27358 -3.65222 GPRESSAVG: 1124400 -31.8047 4.90757 40.3473 3.80511 10.1885 3.9241 40.0112 3.6708 -4.12049 TIMING: 1124400 CPU: 3560.61, 0.00324417/step Wall: 3560.61, 0.00324417/step, 3.49253 hours remaining, 237.601562 MB of memory in use. ENERGY: 1124400 4029.3574 20549.3146 14528.1256 248.6240 -203108.9018 2529.1292 0.0000 0.0000 52144.4050 -109079.9460 299.6746 -161224.3510 -108724.3757 299.4794 -170.9923 -145.4869 761685.5378 -8.3009 -8.5789 PRESSURE: 1124600 -240.536 30.6764 73.4928 30.676 -425.445 -44.2596 73.4933 -44.2593 -85.8093 GPRESSURE: 1124600 -123.073 124.58 41.2568 225.475 -393.806 -109.944 36.5591 -146.599 -162.839 PRESSAVG: 1124600 -45.9288 18.2464 57.6544 18.2465 32.1658 12.7687 57.6544 12.7688 2.5737 GPRESSAVG: 1124600 -46.4143 20.2047 57.6624 18.7241 32.5428 11.6068 56.7202 13.6267 2.21181 TIMING: 1124600 CPU: 3561.25, 0.00319119/step Wall: 3561.25, 0.00319119/step, 3.43531 hours remaining, 237.601562 MB of memory in use. ENERGY: 1124600 3948.5735 20523.3845 14476.3066 225.5864 -203115.6555 2689.3392 0.0000 0.0000 52167.0793 -109085.3860 299.8049 -161252.4653 -108717.9393 299.5524 -250.5967 -226.5725 762747.4347 -3.7298 -3.8866 PRESSURE: 1124800 -111.06 -73.3112 -98.349 -73.3126 -210.595 -167.278 -98.3494 -167.28 -317.711 GPRESSURE: 1124800 -80.4401 -46.5982 -81.5761 -108.209 -153.679 -118.088 -135.084 -140.437 -323.038 PRESSAVG: 1124800 -15.2758 1.52768 33.6444 1.52768 19.6452 18.06 33.6443 18.06 6.0438 GPRESSAVG: 1124800 -14.8532 0.80406 32.3237 2.4884 18.2683 17.3905 35.2004 17.6943 6.47351 TIMING: 1124800 CPU: 3561.88, 0.00316371/step Wall: 3561.88, 0.00316371/step, 3.40556 hours remaining, 237.601562 MB of memory in use. ENERGY: 1124800 4079.9045 20426.1098 14479.2129 272.6249 -203297.7867 2807.7785 0.0000 0.0000 52181.1808 -109050.9754 299.8860 -161232.1562 -108688.5869 299.7237 -213.1219 -185.7191 763720.2696 3.4711 3.2962 PRESSURE: 1125000 -185.665 64.2823 65.7752 64.2823 100.663 42.8611 65.776 42.8613 319.395 GPRESSURE: 1125000 -233.361 40.2885 189.78 14.5578 238.458 -38.8753 49.0897 19.704 295.449 PRESSAVG: 1125000 -16.189 2.23104 -0.295622 2.23109 14.2225 -14.4812 -0.295575 -14.4812 -1.91804 GPRESSAVG: 1125000 -17.7419 0.887536 0.490122 1.58051 15.2818 -11.7506 0.240681 -15.0027 -1.75532 TIMING: 1125000 CPU: 3562.52, 0.00317154/step Wall: 3562.52, 0.00317154/step, 3.41381 hours remaining, 237.601562 MB of memory in use. ENERGY: 1125000 3959.3952 20468.9349 14548.5602 248.2339 -202949.1661 2618.6105 0.0000 0.0000 51846.0238 -109259.4076 297.9598 -161105.4314 -108882.2287 299.7564 78.1310 100.1821 762831.9137 -1.2948 -1.4051 PRESSURE: 1125200 142.752 34.656 -27.2822 34.6563 -124.762 213.729 -27.2816 213.73 187.987 GPRESSURE: 1125200 217.312 -31.1376 -17.0255 -38.9814 -125.993 254.094 -9.34043 165.202 218.188 PRESSAVG: 1125200 -0.769773 -18.7058 -11.4429 -18.7058 33.2852 -32.7672 -11.4429 -32.7671 27.4029 GPRESSAVG: 1125200 1.90053 -18.7036 -11.9194 -16.5234 31.7394 -33.8379 -11.8363 -31.3124 27.1171 TIMING: 1125200 CPU: 3563.16, 0.00318637/step Wall: 3563.16, 0.00318637/step, 3.4296 hours remaining, 237.601562 MB of memory in use. ENERGY: 1125200 3957.5500 20520.0764 14518.3525 260.2532 -203317.9615 2745.0267 0.0000 0.0000 52186.6072 -109130.0955 299.9171 -161316.7027 -108766.6625 299.3843 68.6590 103.1693 761971.1210 19.9728 20.2524 PRESSURE: 1125400 48.1696 -72.9518 -119.463 -72.9519 132.12 82.8565 -119.464 82.856 -274.069 GPRESSURE: 1125400 102.145 -35.2333 -47.6276 -66.1811 115.557 34.7401 -112.078 186.676 -210.77 PRESSAVG: 1125400 5.76806 -1.05039 16.172 -1.05038 -18.9681 -0.442348 16.172 -0.442364 -5.12989 GPRESSAVG: 1125400 4.12844 -0.957476 17.3936 -2.64269 -18.5537 0.629034 15.1627 0.0433106 -3.99324 TIMING: 1125400 CPU: 3563.79, 0.00318541/step Wall: 3563.79, 0.00318541/step, 3.42839 hours remaining, 237.601562 MB of memory in use. ENERGY: 1125400 3995.9225 20477.1413 14406.5485 244.7359 -202991.0248 2585.2608 0.0000 0.0000 52071.0971 -109210.3188 299.2533 -161281.4159 -108855.0547 299.4617 -31.2598 2.3103 761343.8796 -6.1100 -6.1395 PRESSURE: 1125600 180.814 82.9399 144.132 82.9399 -77.3926 -269.604 144.132 -269.604 254.603 GPRESSURE: 1125600 219.218 28.8379 115.712 83.3711 -79.9278 -322.439 26.6549 -164.965 300.4 PRESSAVG: 1125600 34.178 11.2642 68.6199 11.2642 -39.1476 0.490712 68.6198 0.490748 5.70494 GPRESSAVG: 1125600 34.5278 9.84236 67.2058 12.4069 -39.3526 -0.455149 68.868 -0.773548 5.45196 TIMING: 1125600 CPU: 3564.43, 0.00316891/step Wall: 3564.43, 0.00316891/step, 3.41045 hours remaining, 237.601562 MB of memory in use. ENERGY: 1125600 3981.1179 20524.3171 14524.9446 249.1055 -203215.8927 2736.2484 0.0000 0.0000 52048.5106 -109151.6486 299.1235 -161200.1592 -108793.7720 299.0687 119.3412 146.5635 762499.0762 0.2451 0.2091 PRESSURE: 1125800 161.728 -1.01909 -51.1235 -1.02021 207.489 164.336 -51.1232 164.335 -152.235 GPRESSURE: 1125800 136.436 -138.396 -21.6661 -66.1139 330.119 182.768 -194.432 94.8165 -182.73 PRESSAVG: 1125800 -9.33373 -47.1758 16.046 -47.1757 -22.1066 48.452 16.046 48.452 7.43684 GPRESSAVG: 1125800 -10.5603 -45.7434 17.9223 -48.4578 -20.9374 51.0795 15.0759 45.7105 7.2759 TIMING: 1125800 CPU: 3565.06, 0.0031648/step Wall: 3565.06, 0.0031648/step, 3.40585 hours remaining, 237.601562 MB of memory in use. ENERGY: 1125800 3949.2008 20516.5880 14501.8195 268.5009 -203185.2115 2812.9909 0.0000 0.0000 51924.2140 -109211.8974 298.4092 -161136.1114 -108842.3840 298.9711 72.3273 94.6081 761373.2453 -8.0012 -8.0739 PRESSURE: 1126000 193.47 -100.026 59.7727 -100.026 -125.764 -9.60237 59.7725 -9.60265 -464.863 GPRESSURE: 1126000 253.553 -14.8023 25.1832 -58.1913 -144.08 -31.2284 119.748 -1.35223 -414.576 PRESSAVG: 1126000 62.452 -62.5003 16.4524 -62.5003 -58.6072 -21.8795 16.4524 -21.8796 -15.9196 GPRESSAVG: 1126000 62.7853 -62.1039 14.1337 -62.0649 -59.3952 -22.9144 18.2241 -19.3932 -15.4854 TIMING: 1126000 CPU: 3565.69, 0.00316379/step Wall: 3565.69, 0.00316379/step, 3.40459 hours remaining, 237.601562 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: 1126000 3962.7539 20531.6540 14529.3241 252.0402 -203155.1114 2501.6451 0.0000 0.0000 52070.1488 -109307.5454 299.2479 -161377.6941 -108944.3463 299.8665 -132.3857 -101.7013 761244.4936 -4.0249 -4.0318 PRESSURE: 1126200 0.326731 0.0916155 132.076 0.0917102 273.654 -8.48798 132.077 -8.48868 -129.773 GPRESSURE: 1126200 47.7116 -0.21145 30.1647 22.8973 228.63 82.3089 96.5432 47.6672 -79.6901 PRESSAVG: 1126200 0.546629 -4.91054 -3.20674 -4.91054 -43.9318 2.42403 -3.2068 2.42399 23.2409 GPRESSAVG: 1126200 0.962981 -3.6632 -1.65212 -2.74431 -43.7975 2.01576 -3.35949 1.64586 22.1508 TIMING: 1126200 CPU: 3566.32, 0.00316204/step Wall: 3566.32, 0.00316204/step, 3.40253 hours remaining, 237.601562 MB of memory in use. ENERGY: 1126200 3977.8635 20654.6321 14509.1600 240.6367 -203394.5851 2713.0543 0.0000 0.0000 51862.7956 -109436.4429 298.0562 -161299.2384 -109087.5850 299.6098 48.0689 65.5504 762660.3961 -6.7148 -6.8946 PRESSURE: 1126400 60.2932 -250.793 204.358 -250.794 -456.721 -54.2653 204.358 -54.2666 -33.1716 GPRESSURE: 1126400 105.085 -292.426 158.615 -106.994 -387.471 -64.7255 174.818 33.1467 -74.368 PRESSAVG: 1126400 36.3657 -34.877 5.6597 -34.8769 -25.0915 4.67805 5.65972 4.67809 5.32776 GPRESSAVG: 1126400 35.813 -35.6228 4.00542 -34.9796 -24.8513 5.05601 5.44667 3.74359 5.67679 TIMING: 1126400 CPU: 3566.96, 0.00320011/step Wall: 3566.96, 0.00320011/step, 3.44332 hours remaining, 237.601562 MB of memory in use. ENERGY: 1126400 4059.8319 20590.6894 14441.7183 242.7334 -203395.3302 2476.8531 0.0000 0.0000 52024.3702 -109559.1339 298.9848 -161583.5042 -109192.8147 299.3103 -143.1997 -118.9179 761002.5931 5.5340 5.5462 PRESSURE: 1126600 28.746 103.675 33.2382 103.675 7.6283 5.1798 33.2386 5.18068 83.9638 GPRESSURE: 1126600 67.3326 71.1505 19.8359 193.794 32.1322 -0.138214 85.7491 -15.6311 112.138 PRESSAVG: 1126600 6.49078 16.1867 19.5298 16.1867 11.5209 13.2132 19.5297 13.2132 9.22386 GPRESSAVG: 1126600 5.87624 15.6722 20.8381 15.6275 12.3197 11.5412 18.6393 14.4397 9.33748 TIMING: 1126600 CPU: 3567.6, 0.00317199/step Wall: 3567.6, 0.00317199/step, 3.41289 hours remaining, 237.601562 MB of memory in use. ENERGY: 1126600 3899.2774 20554.9084 14470.0317 227.8060 -203152.6124 2455.8232 0.0000 0.0000 51956.9769 -109587.7888 298.5975 -161544.7657 -109228.8393 298.7674 40.1127 70.5343 761206.5491 9.0785 9.1778 PRESSURE: 1126800 -116.448 279.911 332.156 279.91 227.63 -222.205 332.157 -222.203 -86.9784 GPRESSURE: 1126800 -177.119 249.921 186.367 225.902 304.293 -211.695 193.912 -49.9456 -29.6302 PRESSAVG: 1126800 -8.84452 70.2907 52.0841 70.2906 34.6406 39.7828 52.0841 39.7828 47.8699 GPRESSAVG: 1126800 -8.54614 70.4825 51.6789 69.6219 33.5698 42.4513 53.8044 38.6473 47.7406 TIMING: 1126800 CPU: 3568.23, 0.00316224/step Wall: 3568.23, 0.00316224/step, 3.40222 hours remaining, 237.601562 MB of memory in use. ENERGY: 1126800 4076.6470 20477.3661 14444.7738 259.0520 -203332.5775 2544.9365 0.0000 0.0000 51911.9772 -109617.8249 298.3388 -161529.8021 -109249.8532 298.9768 8.0679 32.5145 762958.7638 24.5553 24.2548 PRESSURE: 1127000 -293.952 -121.795 158.671 -121.794 -357.854 257.847 158.67 257.848 -258.47 GPRESSURE: 1127000 -293.265 -99.8502 124.222 -182.1 -291.83 311.619 251.742 203.903 -245.37 PRESSAVG: 1127000 -0.931831 22.8031 2.04586 22.803 7.46281 55.6742 2.04589 55.6741 -19.2269 GPRESSAVG: 1127000 -1.85641 23.419 3.11583 23.134 8.00015 54.646 0.74022 56.7708 -19.3113 TIMING: 1127000 CPU: 3568.87, 0.00317574/step Wall: 3568.87, 0.00317574/step, 3.41657 hours remaining, 237.601562 MB of memory in use. ENERGY: 1127000 4016.3052 20581.9066 14512.1239 232.5652 -203221.7744 2534.4544 0.0000 0.0000 51900.7898 -109443.6293 298.2746 -161344.4191 -109084.4385 298.8065 -303.4255 -276.8215 761649.2039 -4.2320 -4.3892 PRESSURE: 1127200 -275.716 -40.1668 247.702 -40.1675 30.0923 50.8314 247.701 50.8321 -249.831 GPRESSURE: 1127200 -107.111 -2.65618 219.617 -116.736 -20.9039 12.9045 264.566 89.1917 -271.617 PRESSAVG: 1127200 -12.9058 48.6413 1.54237 48.6413 24.6417 34.1701 1.54233 34.1701 9.15326 GPRESSAVG: 1127200 -10.1825 47.9957 -0.106449 48.5167 23.2367 32.9335 3.79944 33.3384 8.47234 TIMING: 1127200 CPU: 3569.5, 0.0031712/step Wall: 3569.5, 0.0031712/step, 3.41151 hours remaining, 237.601562 MB of memory in use. ENERGY: 1127200 4024.3981 20429.4407 14539.9725 264.5584 -203456.5532 2632.4877 0.0000 0.0000 52239.3571 -109326.3387 300.2203 -161565.6958 -108962.1753 299.2716 -165.1518 -133.2108 761320.4585 6.9630 7.1755 PRESSURE: 1127400 302.652 -81.8224 -399.09 -81.8223 188.185 -96.4542 -399.092 -96.454 60.4489 GPRESSURE: 1127400 296.3 -24.3001 -408.729 -32.6311 298.818 -108.399 -417.883 -42.5413 50.8691 PRESSAVG: 1127400 37.3127 -13.7003 33.7577 -13.7003 -26.2552 -8.01976 33.7577 -8.01979 -3.57009 GPRESSAVG: 1127400 36.312 -15.3252 34.5965 -11.3117 -25.5151 -6.19352 31.5232 -7.88299 -3.47645 TIMING: 1127400 CPU: 3570.14, 0.00317448/step Wall: 3570.14, 0.00317448/step, 3.41486 hours remaining, 237.601562 MB of memory in use. ENERGY: 1127400 4016.7001 20363.7329 14530.8130 236.0526 -203447.6868 2857.5915 0.0000 0.0000 52204.1693 -109238.6273 300.0181 -161442.7966 -108880.8822 299.4459 183.7622 215.3290 760539.6676 2.4958 2.4402 PRESSURE: 1127600 73.6533 -89.8369 138.232 -89.8371 126.619 -168.421 138.232 -168.42 226.327 GPRESSURE: 1127600 231.267 11.6506 137.393 -62.9341 158.718 -147.698 113.414 -187.142 133.557 PRESSAVG: 1127600 20.2668 -44.657 -57.1799 -44.657 -15.6154 -9.86695 -57.18 -9.86693 -16.925 GPRESSAVG: 1127600 20.3356 -43.4862 -55.1157 -46.8498 -17.1184 -11.5197 -56.5997 -12.2618 -15.5149 TIMING: 1127600 CPU: 3570.77, 0.00316535/step Wall: 3570.77, 0.00316534/step, 3.40486 hours remaining, 237.601562 MB of memory in use. ENERGY: 1127600 4024.4801 20528.8444 14495.6434 247.2351 -203486.7253 2825.7391 0.0000 0.0000 52113.9612 -109250.8220 299.4997 -161364.7833 -108891.4405 299.3750 142.1998 174.5138 759683.7527 -4.0912 -4.0992 PRESSURE: 1127800 -128.264 -148.764 -35.2316 -148.764 -491.682 -5.70869 -35.2316 -5.70797 -273.632 GPRESSURE: 1127800 -99.5384 -205.486 -133.853 -108.899 -423.404 -31.4196 113.663 126.929 -301.914 PRESSAVG: 1127800 52.065 -69.988 -18.2896 -69.988 -47.5059 -10.0568 -18.2896 -10.0568 20.2778 GPRESSAVG: 1127800 52.3991 -67.8342 -21.0442 -70.5742 -47.6909 -10.7543 -16.0135 -4.03863 19.8643 TIMING: 1127800 CPU: 3571.4, 0.00317153/step Wall: 3571.4, 0.00317153/step, 3.41134 hours remaining, 237.601562 MB of memory in use. ENERGY: 1127800 3949.8894 20626.2899 14480.0300 243.6572 -203241.6439 2329.0615 0.0000 0.0000 52029.5745 -109583.1415 299.0147 -161612.7159 -109217.9014 299.4232 -297.8594 -274.9524 762206.7588 8.2790 8.1908 PRESSURE: 1128000 -19.2087 86.1013 40.3666 86.1011 -10.9024 14.5551 40.3663 14.5556 -470.598 GPRESSURE: 1128000 14.4419 -36.6985 -46.1082 -10.2825 -51.4258 129.337 237.722 -4.1839 -381.564 PRESSAVG: 1128000 -5.42863 16.6096 -40.7698 16.6096 31.5045 54.4433 -40.7698 54.4433 -9.76379 GPRESSAVG: 1128000 -4.28612 13.6319 -38.4907 17.3106 31.6724 55.1124 -41.3655 51.1984 -10.5136 TIMING: 1128000 CPU: 3572.04, 0.00317491/step Wall: 3572.04, 0.00317491/step, 3.41479 hours remaining, 237.601562 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: 1128000 4007.6005 20548.5414 14505.8570 232.5695 -203103.4395 2413.7385 0.0000 0.0000 51927.6328 -109467.4998 298.4288 -161395.1326 -109103.4238 298.8555 -166.9031 -139.5158 761973.2050 5.4373 5.6242 PRESSURE: 1128200 81.8477 -171.62 181.137 -171.621 79.5791 43.4685 181.137 43.4674 211.943 GPRESSURE: 1128200 53.108 -172.069 165.079 -153.145 152.191 9.09701 95.8306 83.1641 239.2 PRESSAVG: 1128200 32.376 99.0816 -24.0834 99.0816 3.78812 59.7814 -24.0834 59.7814 6.34122 GPRESSAVG: 1128200 30.1508 99.7132 -24.666 100.18 3.57115 59.5336 -25.8539 59.3654 8.52096 TIMING: 1128200 CPU: 3572.67, 0.0031689/step Wall: 3572.67, 0.0031689/step, 3.40816 hours remaining, 237.601562 MB of memory in use. ENERGY: 1128200 4054.6914 20559.5931 14567.6213 240.7927 -203944.0400 2835.1532 0.0000 0.0000 52135.8922 -109550.2961 299.6257 -161686.1883 -109186.4733 299.1720 124.4567 148.1661 758759.5747 14.1684 14.0810 LDB: ============= START OF LOAD BALANCING ============== 3585.12 LDB: ============== END OF LOAD BALANCING =============== 3585.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3585.13 LDB: ============= START OF LOAD BALANCING ============== 3585.44 LDB: Largest compute 7029 load 0.035485 is 18.2% of average load 0.195132 LDB: Average compute 0.004415 is 2.3% of average load 0.195132 LDB: TIME 3585.45 LOAD: AVG 0.195132 MAX 0.218009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.402 MB LDB: TIME 3585.45 LOAD: AVG 0.195132 MAX 0.218009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: TIME 3585.45 LOAD: AVG 0.195132 MAX 0.213086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: ============== END OF LOAD BALANCING =============== 3585.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3585.45 PRESSURE: 1128400 -258.261 -139.249 132.881 -139.249 -142.307 -142.271 132.881 -142.271 229.781 GPRESSURE: 1128400 -151.962 -137.879 134.796 43.7097 -177.326 -100.308 262.841 -113.569 253.021 PRESSAVG: 1128400 -61.7893 27.154 31.87 27.1541 71.8431 -1.7216 31.87 -1.72158 -0.213522 GPRESSAVG: 1128400 -61.7348 28.7428 32.4656 26.8019 72.6812 -0.265605 34.7096 -1.83447 -1.70874 TIMING: 1128400 CPU: 3573.32, 0.00323376/step Wall: 3573.32, 0.00323376/step, 3.47773 hours remaining, 237.343750 MB of memory in use. ENERGY: 1128400 3959.6731 20433.9551 14561.9888 244.0819 -203243.4579 2476.4625 0.0000 0.0000 51929.1196 -109638.1768 298.4374 -161567.2965 -109271.9675 298.6127 -56.9288 -25.4222 760988.9381 3.2801 3.0792 PRESSURE: 1128600 -21.0922 108.333 -113.572 108.333 245.325 -110.048 -113.573 -110.048 27.8488 GPRESSURE: 1128600 23.4685 192.533 -118.867 -22.8915 256.4 -55.5986 -120.296 -71.859 33.0304 PRESSAVG: 1128600 36.6327 52.2108 48.7741 52.2108 -32.994 -2.86463 48.7741 -2.86453 8.18756 GPRESSAVG: 1128600 37.7857 51.388 49.1192 50.4874 -34.8316 -4.08434 46.0669 -0.932644 8.02943 TIMING: 1128600 CPU: 3573.96, 0.00318428/step Wall: 3573.96, 0.00318428/step, 3.42434 hours remaining, 237.343750 MB of memory in use. ENERGY: 1128600 3928.3927 20379.2286 14454.3887 251.6631 -203463.7273 2783.9255 0.0000 0.0000 51923.4033 -109742.7255 298.4045 -161666.1288 -109373.5493 298.2506 84.0272 104.2998 761862.3349 3.9421 3.6612 PRESSURE: 1128800 -29.923 72.7993 -207.728 72.7989 -129.904 -4.57695 -207.728 -4.57671 290.131 GPRESSURE: 1128800 -49.0857 54.6053 -136.907 56.0084 -58.0214 62.0424 -193.319 -44.0806 307.932 PRESSAVG: 1128800 1.76433 -11.847 -36.6616 -11.847 6.85531 -32.362 -36.6615 -32.3619 12.4326 GPRESSAVG: 1128800 0.494951 -12.7724 -37.0331 -11.3045 9.44376 -32.2228 -37.0675 -34.2009 10.8863 TIMING: 1128800 CPU: 3574.59, 0.00317642/step Wall: 3574.59, 0.00317642/step, 3.41571 hours remaining, 237.343750 MB of memory in use. ENERGY: 1128800 3945.5885 20500.8722 14476.1186 266.6029 -203527.9984 2696.6438 0.0000 0.0000 51931.3410 -109710.8315 298.4501 -161642.1725 -109340.7575 298.4172 43.4348 66.9418 761853.0897 7.0174 6.9417 PRESSURE: 1129000 575.278 -127.242 287.66 -127.242 11.6111 -46.1341 287.661 -46.133 66.5534 GPRESSURE: 1129000 595.503 -122.042 248.883 -8.16743 62.7555 -75.2214 136.572 -2.5738 104.097 PRESSAVG: 1129000 -21.6975 14.5042 -28.5173 14.5042 14.4669 -47.8236 -28.5174 -47.8236 5.80912 GPRESSAVG: 1129000 -21.0175 15.0912 -29.4906 15.2585 13.528 -46.9035 -27.71 -48.62 7.0141 TIMING: 1129000 CPU: 3575.23, 0.00317703/step Wall: 3575.23, 0.00317703/step, 3.41619 hours remaining, 237.343750 MB of memory in use. ENERGY: 1129000 3952.1891 20397.7377 14475.9751 231.7198 -203276.4806 2536.6852 0.0000 0.0000 51928.2544 -109753.9193 298.4324 -161682.1737 -109390.6982 298.3080 217.8142 254.1184 761944.1103 -0.4738 -0.1585 PRESSURE: 1129200 -53.3773 39.2772 110.943 39.2764 -344.591 164.036 110.943 164.037 252.778 GPRESSURE: 1129200 20.8253 -59.5434 68.9077 115.371 -284.61 113.244 71.6626 164.506 194.194 PRESSAVG: 1129200 -57.5477 -14.552 -25.2892 -14.5521 20.909 1.504 -25.2892 1.50397 -28.93 GPRESSAVG: 1129200 -58.5919 -16.5782 -24.6119 -13.3498 19.726 0.052871 -26.5516 2.70962 -26.6915 TIMING: 1129200 CPU: 3575.86, 0.00317491/step Wall: 3575.86, 0.00317491/step, 3.41373 hours remaining, 237.343750 MB of memory in use. ENERGY: 1129200 3906.1789 20474.0390 14449.5221 258.1424 -202875.7155 2242.9048 0.0000 0.0000 51950.9431 -109593.9853 298.5628 -161544.9284 -109236.8391 298.5427 -48.3967 -23.1968 762524.0068 -21.8562 -21.8525 PRESSURE: 1129400 -167.895 0.0752503 -7.97678 0.074989 204.453 -248.103 -7.97623 -248.104 -13.9301 GPRESSURE: 1129400 -113.521 -72.4411 -29.3534 27.7824 181.907 -143.285 -25.7237 -92.0556 36.1574 PRESSAVG: 1129400 -11.1918 -30.0915 -28.3398 -30.0914 25.1675 8.47705 -28.3397 8.47706 4.24849 GPRESSAVG: 1129400 -10.5212 -27.3134 -29.3887 -30.9263 26.3785 9.51316 -26.1476 8.54508 2.21253 TIMING: 1129400 CPU: 3576.5, 0.0031803/step Wall: 3576.5, 0.0031803/step, 3.41936 hours remaining, 237.343750 MB of memory in use. ENERGY: 1129400 3970.9525 20468.9049 14497.3161 232.2683 -203022.3940 2462.9360 0.0000 0.0000 51930.6382 -109459.3781 298.4461 -161390.0164 -109104.5511 298.8957 7.5426 34.8479 762023.8808 6.0748 6.0233 PRESSURE: 1129600 -274.349 -81.0381 65.2305 -81.0376 -246.553 157.996 65.2301 157.996 -196.294 GPRESSURE: 1129600 -236.64 -6.16741 71.5571 -88.1189 -209.465 152.68 141.731 58.0669 -196.131 PRESSAVG: 1129600 13.7414 45.8958 -3.31729 45.8958 8.52375 11.3503 -3.31727 11.3503 13.3967 GPRESSAVG: 1129600 14.2019 44.8667 -2.61882 45.4554 7.74249 11.9285 -4.12156 10.9056 13.5247 TIMING: 1129600 CPU: 3577.14, 0.00319413/step Wall: 3577.14, 0.00319413/step, 3.43404 hours remaining, 237.343750 MB of memory in use. ENERGY: 1129600 4058.2687 20436.9035 14458.3000 241.7138 -202898.6978 2128.5145 0.0000 0.0000 51972.7115 -109602.2858 298.6879 -161574.9972 -109233.0288 298.5856 -239.0654 -214.0784 760437.2521 11.8873 11.8231 PRESSURE: 1129800 252.987 28.2317 -45.8046 28.232 -104.931 167.875 -45.8048 167.875 -61.864 GPRESSURE: 1129800 329.244 -59.1255 44.2626 87.4468 -149.849 119.165 -196.43 142.585 -1.05172 PRESSAVG: 1129800 24.4102 88.9904 -46.723 88.9904 -28.7595 -17.7179 -46.7229 -17.7179 1.07965 GPRESSAVG: 1129800 23.851 88.4157 -46.9187 90.1493 -28.1034 -18.9449 -46.0105 -18.1971 0.855505 TIMING: 1129800 CPU: 3577.77, 0.00319115/step Wall: 3577.77, 0.00319115/step, 3.43067 hours remaining, 237.343750 MB of memory in use. ENERGY: 1129800 4003.6054 20560.7929 14483.4547 247.2859 -203558.9605 2740.6519 0.0000 0.0000 51958.3630 -109564.8067 298.6054 -161523.1697 -109208.5397 298.8245 28.7307 59.4477 761568.8584 -1.0899 -1.1323 PRESSURE: 1130000 -14.9637 -85.3168 -83.6417 -85.3167 -438.701 -154.49 -83.6416 -154.49 -101.135 GPRESSURE: 1130000 -119.503 105.793 -140.303 -102.135 -229.479 -57.5239 110.426 -87.7299 -111.024 PRESSAVG: 1130000 -4.34612 25.5531 -22.4698 25.5532 -37.2119 15.7438 -22.4698 15.7438 -33.1492 GPRESSAVG: 1130000 -5.38656 24.5604 -21.9039 23.2836 -36.2686 18.0269 -22.1254 14.904 -33.0337 TIMING: 1130000 CPU: 3578.41, 0.00317058/step Wall: 3578.41, 0.00317058/step, 3.40838 hours remaining, 237.343750 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: 1130000 3990.3329 20480.3001 14510.7492 247.1044 -203124.1322 2307.0930 0.0000 0.0000 52056.0837 -109532.4689 299.1670 -161588.5526 -109173.3649 298.7270 -184.9333 -153.3354 761806.6279 -24.9024 -24.8963 PRESSURE: 1130200 26.0207 100.292 5.95429 100.293 -112.432 120.629 5.9554 120.629 -29.684 GPRESSURE: 1130200 -31.817 178.494 -74.149 117.492 -29.797 18.5869 -66.2665 121.974 23.8812 PRESSAVG: 1130200 20.1812 1.71366 11.191 1.71371 -31.3985 30.2914 11.1911 30.2915 -30.9329 GPRESSAVG: 1130200 20.9574 3.45439 11.4179 3.74648 -31.931 28.2388 9.42385 32.2353 -31.6324 TIMING: 1130200 CPU: 3579.04, 0.00317576/step Wall: 3579.04, 0.00317576/step, 3.41376 hours remaining, 237.343750 MB of memory in use. ENERGY: 1130200 3969.9070 20568.0334 14461.0811 255.6037 -203303.6124 2579.3705 0.0000 0.0000 51791.6838 -109677.9330 297.6475 -161469.6168 -109332.0354 298.9736 -38.6983 -12.5776 761876.4128 -14.0501 -14.2020 PRESSURE: 1130400 -302.48 -59.501 149.12 -59.5009 -189.876 -125.265 149.12 -125.265 -181.237 GPRESSURE: 1130400 -274.703 79.4939 117.551 -61.1888 -148.659 -162.493 156.101 -62.2535 -183.422 PRESSAVG: 1130400 -22.2684 26.4312 32.9275 26.4313 26.7319 -5.41163 32.9275 -5.41164 -5.71509 GPRESSAVG: 1130400 -21.9835 29.6838 32.1434 23.7085 26.0702 -5.78213 32.5345 -5.49216 -5.95154 TIMING: 1130400 CPU: 3579.68, 0.00317012/step Wall: 3579.68, 0.00317012/step, 3.40752 hours remaining, 237.343750 MB of memory in use. ENERGY: 1130400 3952.2474 20425.5800 14439.2715 255.7598 -203152.2908 2466.5330 0.0000 0.0000 52135.5106 -109477.3886 299.6235 -161612.8992 -109115.5880 298.6649 -224.5310 -202.2611 761704.5078 -0.4172 -0.6216 PRESSURE: 1130600 240.189 68.8863 -37.3165 68.8859 -6.73131 57.9005 -37.3158 57.9019 -100.027 GPRESSURE: 1130600 133.973 81.8959 -82.7636 -35.3109 83.9402 37.0565 46.3247 102.811 -8.19452 PRESSAVG: 1130600 -15.5389 -8.87368 8.52309 -8.87361 -28.6711 38.8058 8.5231 38.8059 -27.4556 GPRESSAVG: 1130600 -17.2333 -11.1864 8.14639 -9.57668 -28.2517 39.2047 9.84718 38.8246 -26.1548 TIMING: 1130600 CPU: 3580.31, 0.00316007/step Wall: 3580.31, 0.00316007/step, 3.39655 hours remaining, 237.343750 MB of memory in use. ENERGY: 1130600 4022.5952 20625.9861 14428.7451 242.1949 -203092.7850 2367.3380 0.0000 0.0000 51888.2534 -109517.6723 298.2025 -161405.9257 -109169.5491 298.6630 44.4768 69.9061 759787.2107 -23.8886 -23.8800 PRESSURE: 1130800 96.2418 9.44055 61.4796 9.43965 -185.324 169.872 61.4796 169.872 -171.23 GPRESSURE: 1130800 140.262 -80.4288 -52.4906 -40.3073 -204.208 181.445 84.0051 294.872 -102.307 PRESSAVG: 1130800 93.2723 -0.397353 17.8091 -0.39735 -26.1521 71.3932 17.8091 71.3932 -17.3999 GPRESSAVG: 1130800 94.5397 -2.00402 19.1904 2.67217 -26.8741 70.1814 17.4238 70.4927 -17.2582 TIMING: 1130800 CPU: 3580.95, 0.00318554/step Wall: 3580.95, 0.00318554/step, 3.42375 hours remaining, 237.343750 MB of memory in use. ENERGY: 1130800 4084.6431 20444.4134 14533.3858 247.5027 -203471.9815 2550.2247 0.0000 0.0000 51884.7974 -109727.0143 298.1826 -161611.8117 -109370.2290 298.7981 -86.7707 -55.4174 760071.5089 16.5735 16.8025 PRESSURE: 1131000 -21.8384 -20.4877 42.7539 -20.4881 -118.781 89.2689 42.7539 89.2694 21.3123 GPRESSURE: 1131000 -119.961 -37.6223 -40.9925 -15.5743 29.714 39.2455 97.753 4.65102 74.7321 PRESSAVG: 1131000 37.7954 27.3519 0.463961 27.3518 -27.0542 13.5408 0.463974 13.5407 31.865 GPRESSAVG: 1131000 36.3653 27.3446 -1.44666 26.7171 -25.1929 15.7951 -1.25221 12.5358 31.1734 TIMING: 1131000 CPU: 3581.58, 0.00317725/step Wall: 3581.58, 0.00317725/step, 3.41466 hours remaining, 237.343750 MB of memory in use. ENERGY: 1131000 3993.0853 20542.6287 14490.9039 240.6907 -203740.9939 2866.8819 0.0000 0.0000 52063.6558 -109543.1476 299.2105 -161606.8034 -109183.6630 298.8212 -39.7691 -5.1715 759065.2067 14.2021 14.1153 PRESSURE: 1131200 300.073 118.969 -25.4954 118.969 -4.7602 30.8692 -25.4954 30.8687 170.2 GPRESSURE: 1131200 329.98 -2.5538 24.775 -50.3773 80.0715 -82.0541 30.8712 147.917 136.197 PRESSAVG: 1131200 23.2579 -12.7528 -38.598 -12.7528 -60.3825 43.844 -38.598 43.8441 -20.0028 GPRESSAVG: 1131200 23.1025 -10.551 -38.4467 -13.8638 -61.143 43.3609 -36.688 44.5888 -19.7147 TIMING: 1131200 CPU: 3582.22, 0.00317403/step Wall: 3582.22, 0.00317403/step, 3.41102 hours remaining, 237.343750 MB of memory in use. ENERGY: 1131200 3977.1543 20397.2879 14473.9306 245.4331 -203260.6092 2373.5552 0.0000 0.0000 52134.9145 -109658.3337 299.6201 -161793.2482 -109292.1016 299.2981 155.1706 182.0831 760541.4367 -19.0425 -19.2517 PRESSURE: 1131400 227.684 9.85353 108.982 9.85539 63.8962 115.818 108.982 115.818 -24.4003 GPRESSURE: 1131400 308.929 52.3112 204.776 -10.6606 28.1698 109.762 137.904 97.4328 0.718853 PRESSAVG: 1131400 17.9726 -60.6327 -34.7802 -60.6327 -18.0325 44.7255 -34.7802 44.7256 22.6954 GPRESSAVG: 1131400 19.0925 -62.2509 -35.0855 -60.2884 -19.0329 43.6225 -36.5888 45.9879 22.5529 TIMING: 1131400 CPU: 3582.85, 0.00316337/step Wall: 3582.85, 0.00316337/step, 3.39939 hours remaining, 237.343750 MB of memory in use. ENERGY: 1131400 3973.3011 20521.9775 14522.4294 246.0631 -203256.9014 2428.6705 0.0000 0.0000 51930.9679 -109633.4920 298.4480 -161564.4599 -109269.4184 299.0185 89.0598 112.6057 760268.0419 7.5452 7.5375 PRESSURE: 1131600 -10.6849 53.9738 -187.607 53.9738 -450.64 144.031 -187.607 144.03 -2.36939 GPRESSURE: 1131600 22.6023 59.2446 -177.318 166.775 -375.712 201.87 -148.376 209.79 -40.7446 PRESSAVG: 1131600 -4.7288 21.9505 -37.8504 21.9505 -27.5334 -20.2029 -37.8504 -20.2029 -8.81958 GPRESSAVG: 1131600 -4.86287 24.6621 -36.5373 21.3758 -27.291 -19.0902 -36.2952 -23.1201 -8.96024 TIMING: 1131600 CPU: 3583.48, 0.00315509/step Wall: 3583.48, 0.00315509/step, 3.39032 hours remaining, 237.343750 MB of memory in use. ENERGY: 1131600 3955.6377 20653.2837 14527.6605 236.5174 -203419.3174 2548.1336 0.0000 0.0000 51720.3400 -109777.7444 297.2375 -161498.0844 -109420.4510 298.3582 -154.5649 -131.2848 762507.0536 -13.6939 -13.7047 PRESSURE: 1131800 103.063 -15.3152 124.21 -15.3157 62.7397 82.0338 124.21 82.0335 177.038 GPRESSURE: 1131800 120.712 -7.01918 146.295 53.719 210.78 -52.4246 94.8736 34.7931 117.992 PRESSAVG: 1131800 16.9258 -17.5608 -29.3819 -17.5609 -16.0138 -6.7368 -29.382 -6.73681 -3.48745 GPRESSAVG: 1131800 16.3993 -17.8763 -28.8608 -14.2126 -15.6878 -7.92399 -30.3006 -6.75569 -3.00506 TIMING: 1131800 CPU: 3584.12, 0.00317396/step Wall: 3584.12, 0.00317396/step, 3.41042 hours remaining, 237.343750 MB of memory in use. ENERGY: 1131800 3940.6164 20416.0530 14467.7266 232.5067 -203807.5738 2891.6380 0.0000 0.0000 51907.2664 -109951.7668 298.3118 -161859.0332 -109594.7135 298.4920 114.2801 149.8279 761483.0066 -0.8585 -0.7645 PRESSURE: 1132000 8.32019 102.208 79.4106 102.208 246.631 -331.914 79.4103 -331.914 197.243 GPRESSURE: 1132000 135.2 48.1719 73.9398 241.829 252.634 -310.703 142.318 -99.7241 168.665 PRESSAVG: 1132000 -21.2915 81.0999 4.79766 81.0999 -38.3952 -21.6018 4.79764 -21.6019 -24.9807 GPRESSAVG: 1132000 -19.7724 78.3507 4.67527 79.0908 -39.1678 -21.6464 4.89283 -19.5094 -25.7504 TIMING: 1132000 CPU: 3584.75, 0.00315991/step Wall: 3584.75, 0.00315991/step, 3.39515 hours remaining, 237.343750 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: 1132000 3884.4375 20433.9180 14512.1081 255.9926 -203760.4541 2876.8963 0.0000 0.0000 51858.2824 -109938.8192 298.0303 -161797.1016 -109571.2604 297.9585 150.7314 185.4996 761098.2428 -28.2224 -28.2302 PRESSURE: 1132200 529.34 68.7163 166.6 68.7161 -239.009 -0.340295 166.599 -0.339796 251.353 GPRESSURE: 1132200 483.563 72.0618 192.492 10.9633 -209.756 -14.5139 192.482 12.9991 336.325 PRESSAVG: 1132200 40.2346 10.5113 19.3765 10.5112 2.39995 -29.9324 19.3767 -29.9324 19.5523 GPRESSAVG: 1132200 39.6094 11.5466 18.7261 9.73692 1.93418 -30.8617 20.3115 -30.9005 20.6873 TIMING: 1132200 CPU: 3585.38, 0.00315158/step Wall: 3585.38, 0.00315158/step, 3.38602 hours remaining, 237.343750 MB of memory in use. ENERGY: 1132200 4029.0685 20486.1625 14487.8143 272.3641 -203904.0701 2781.5262 0.0000 0.0000 52038.1440 -109808.9905 299.0639 -161847.1345 -109451.0478 298.1172 180.5613 203.3773 759219.6590 20.7290 20.7436 LDB: ============= START OF LOAD BALANCING ============== 3597.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3597.83 LDB: =============== DONE WITH MIGRATION ================ 3597.83 LDB: ============= START OF LOAD BALANCING ============== 3598.14 LDB: Largest compute 7032 load 0.036330 is 18.6% of average load 0.195110 LDB: Average compute 0.004436 is 2.3% of average load 0.195110 LDB: TIME 3598.15 LOAD: AVG 0.19511 MAX 0.214978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.855 MB LDB: TIME 3598.15 LOAD: AVG 0.19511 MAX 0.214978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: TIME 3598.15 LOAD: AVG 0.19511 MAX 0.214978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: ============== END OF LOAD BALANCING =============== 3598.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3598.15 PRESSURE: 1132400 35.2103 125.94 31.5617 125.939 415.817 -105.648 31.562 -105.649 63.1423 GPRESSURE: 1132400 42.4314 146.937 -28.2606 132.223 463.535 -129.707 -67.507 -67.6779 110.812 PRESSAVG: 1132400 -58.1246 61.098 57.5481 61.0979 4.83079 5.18468 57.5481 5.18461 0.40709 GPRESSAVG: 1132400 -59.7724 60.2053 57.2321 59.5968 7.33842 8.25851 58.2549 4.9977 0.0220995 TIMING: 1132400 CPU: 3586.02, 0.00320828/step Wall: 3586.02, 0.00320828/step, 3.44676 hours remaining, 239.136719 MB of memory in use. ENERGY: 1132400 4091.5209 20502.9815 14497.0535 240.7091 -203892.0946 3231.2625 0.0000 0.0000 51615.6583 -109712.9088 296.6359 -161328.5671 -109366.8940 298.5095 171.3900 205.5928 760140.9005 -17.6289 -17.4706 PRESSURE: 1132600 39.8707 7.5803 17.6456 7.58009 -168.364 256.932 17.6457 256.932 177.425 GPRESSURE: 1132600 79.4782 38.3083 118.401 62.5754 -110.41 302.936 -127.895 325.383 169.924 PRESSAVG: 1132600 -6.2799 36.6376 60.0683 36.6376 -8.93128 -4.79323 60.0684 -4.79321 6.65857 GPRESSAVG: 1132600 -5.2675 38.6802 60.5248 38.8393 -10.7855 -5.99183 59.8414 -6.17735 7.65629 TIMING: 1132600 CPU: 3586.65, 0.0031733/step Wall: 3586.65, 0.0031733/step, 3.409 hours remaining, 239.339844 MB of memory in use. ENERGY: 1132600 3916.5456 20430.9645 14428.5445 261.6309 -203571.2919 2550.2468 0.0000 0.0000 51990.0150 -109993.3447 298.7873 -161983.3597 -109630.9548 298.5809 16.3105 46.3306 761533.0745 -2.8509 -2.7989 PRESSURE: 1132800 -310.862 -4.71057 146.69 -4.71128 -164.049 -113.386 146.69 -113.386 -143.31 GPRESSURE: 1132800 -332.209 -4.46854 172.576 14.2533 -117.244 -138.429 114.086 -16.9768 -88.7413 PRESSAVG: 1132800 3.81663 26.2225 5.33843 26.2225 -30.9462 -23.3377 5.33844 -23.3377 -25.1455 GPRESSAVG: 1132800 3.53629 24.1168 5.40896 26.3395 -30.2158 -22.6992 2.77203 -21.4168 -25.9875 TIMING: 1132800 CPU: 3587.29, 0.00316338/step Wall: 3587.29, 0.00316338/step, 3.39817 hours remaining, 239.339844 MB of memory in use. ENERGY: 1132800 3927.5888 20497.1547 14466.6491 257.6457 -203439.4602 2468.3604 0.0000 0.0000 51929.9387 -109892.1228 298.4421 -161822.0615 -109535.2326 297.9777 -206.0734 -179.3981 760281.1704 -17.4250 -17.5557 PRESSURE: 1133000 -15.9676 -97.324 -101.022 -97.324 -352.471 231.398 -101.023 231.398 -4.67311 GPRESSURE: 1133000 -85.3799 -6.59531 -50.5727 36.389 -219.589 291.07 -165.992 199.478 17.6808 PRESSAVG: 1133000 9.4854 4.19034 -11.65 4.19035 -21.4575 8.5315 -11.65 8.5315 25.5754 GPRESSAVG: 1133000 10.6426 5.09686 -11.8206 5.45261 -22.9737 7.84965 -9.34992 7.27921 25.6208 TIMING: 1133000 CPU: 3587.92, 0.00316462/step Wall: 3587.92, 0.00316462/step, 3.39933 hours remaining, 239.339844 MB of memory in use. ENERGY: 1133000 3987.6007 20441.5462 14489.7678 250.5416 -203459.5428 2526.6696 0.0000 0.0000 51752.6710 -110010.7460 297.4233 -161763.4169 -109648.2180 298.4361 -124.3705 -95.7628 762191.6717 4.5344 4.4299 PRESSURE: 1133200 176.237 -81.6356 -150.729 -81.6362 34.1303 240.982 -150.73 240.983 -87.2669 GPRESSURE: 1133200 146.165 8.41262 -149.182 -17.5767 154.297 283.636 -82.3431 70.6134 -95.8605 PRESSAVG: 1133200 -8.14318 28.8736 23.4991 28.8736 -51.278 48.3868 23.4991 48.3868 -11.9072 GPRESSAVG: 1133200 -8.20556 29.5386 21.7439 26.647 -51.0124 50.6103 23.1742 47.0289 -12.0697 TIMING: 1133200 CPU: 3588.55, 0.0031497/step Wall: 3588.55, 0.0031497/step, 3.38313 hours remaining, 239.339844 MB of memory in use. ENERGY: 1133200 3988.8300 20299.1884 14531.1905 240.5424 -203703.6327 2929.2692 0.0000 0.0000 51964.2735 -109750.3386 298.6394 -161714.6121 -109388.4664 298.3073 41.0333 68.2006 761242.6049 -23.7761 -23.7626 PRESSURE: 1133400 -46.7313 115.439 200.394 115.44 -113.449 27.4728 200.393 27.4735 -37.7868 GPRESSURE: 1133400 -132.07 108.015 90.5959 124.829 21.3821 -30.7954 240.242 8.69395 -21.3273 PRESSAVG: 1133400 50.2436 -31.3351 -3.56697 -31.3351 -43.1254 36.6263 -3.56693 36.6263 31.1046 GPRESSAVG: 1133400 49.1992 -30.2921 -0.471253 -31.8476 -42.2815 33.7942 -2.85046 38.485 31.1 TIMING: 1133400 CPU: 3589.18, 0.00315096/step Wall: 3589.18, 0.00315096/step, 3.38431 hours remaining, 239.339844 MB of memory in use. ENERGY: 1133400 4014.0584 20403.7744 14403.4786 240.7254 -203467.4109 2748.4925 0.0000 0.0000 52084.4516 -109572.4300 299.3301 -161656.8816 -109204.2157 298.6901 -65.9890 -44.0050 760831.9415 12.7410 12.6726 PRESSURE: 1133600 -6.84632 -237.327 -81.5196 -237.326 294.871 -50.6216 -81.5182 -50.6217 241.105 GPRESSURE: 1133600 96.281 -256.389 -83.0966 -208.451 250.267 -32.6117 -104.75 -3.42503 248.051 PRESSAVG: 1133600 40.2623 -10.8222 -54.71 -10.8222 -80.2447 18.8317 -54.7099 18.8317 21.7844 GPRESSAVG: 1133600 40.6098 -11.1086 -56.9087 -9.62148 -81.1225 19.4566 -55.7142 18.4378 22.1704 TIMING: 1133600 CPU: 3589.81, 0.00313792/step Wall: 3589.81, 0.00313792/step, 3.37012 hours remaining, 239.339844 MB of memory in use. ENERGY: 1133600 3927.3443 20360.4309 14449.2823 243.6668 -203577.9203 2855.8162 0.0000 0.0000 52008.5149 -109732.8648 298.8937 -161741.3798 -109373.8752 298.5446 176.3765 198.1995 760007.0633 -6.0660 -6.1141 PRESSURE: 1133800 328.654 60.2339 102.765 60.234 -169.338 -27.7434 102.765 -27.7442 67.0058 GPRESSURE: 1133800 384.121 152.429 39.2719 -86.6025 -171.202 -68.7872 130.668 104.788 99.2099 PRESSAVG: 1133800 57.7141 -18.394 -8.96446 -18.3941 -15.1181 23.7828 -8.9645 23.7828 3.67146 GPRESSAVG: 1133800 57.4188 -19.2129 -9.08844 -17.8555 -15.1339 24.183 -8.42094 24.9413 4.57102 TIMING: 1133800 CPU: 3590.44, 0.00317504/step Wall: 3590.44, 0.00317504/step, 3.40981 hours remaining, 239.339844 MB of memory in use. ENERGY: 1133800 3928.2974 20540.5634 14406.3523 241.7799 -203342.3444 2581.1085 0.0000 0.0000 52046.3399 -109597.9029 299.1110 -161644.2428 -109230.3833 298.6888 75.4409 104.0432 761252.4226 15.4225 15.6186 PRESSURE: 1134000 -122.365 95.4609 250.137 95.4616 -192.282 25.0983 250.136 25.0981 -44.1015 GPRESSURE: 1134000 -136.329 138.398 278.939 104.31 -127.798 6.6878 175.845 -174.344 -21.8662 PRESSAVG: 1134000 35.3127 -56.3708 14.4728 -56.3709 -41.7697 -32.1193 14.4728 -32.1192 11.7801 GPRESSAVG: 1134000 35.2656 -56.3378 13.3691 -57.1375 -41.1881 -32.9028 15.4762 -34.1535 10.8759 TIMING: 1134000 CPU: 3591.07, 0.00316418/step Wall: 3591.07, 0.00316418/step, 3.39797 hours remaining, 239.339844 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: 1134000 4042.3028 20483.0069 14454.9827 241.6976 -203367.4677 2615.7402 0.0000 0.0000 51873.4508 -109656.2867 298.1174 -161529.7376 -109295.5438 298.8805 -119.5828 -95.3311 763765.9842 1.7744 1.6512 PRESSURE: 1134200 -158.372 -213.44 -26.0655 -213.44 281.883 113.193 -26.0649 113.193 234.617 GPRESSURE: 1134200 -79.1401 -186.902 15.3063 -143.922 236.396 65.8422 71.7475 176.128 284.569 PRESSAVG: 1134200 9.26721 16.7843 9.33775 16.7843 -63.8531 -0.205117 9.33769 -0.205162 4.71017 GPRESSAVG: 1134200 9.73459 17.0072 10.9825 15.7801 -64.1072 0.51205 9.84444 -0.559039 4.70625 TIMING: 1134200 CPU: 3591.71, 0.00316599/step Wall: 3591.71, 0.00316599/step, 3.39975 hours remaining, 239.339844 MB of memory in use. ENERGY: 1134200 3965.9974 20327.0801 14421.0213 242.9787 -203773.0968 2995.2321 0.0000 0.0000 51990.5135 -109830.2737 298.7902 -161820.7872 -109464.4041 298.1115 119.3757 147.2749 763110.3052 -16.6252 -16.5554 PRESSURE: 1134400 -71.8455 3.42268 16.426 3.42303 61.6009 -84.1141 16.4257 -84.1141 -58.7122 GPRESSURE: 1134400 32.4982 28.9552 28.9094 67.6525 81.8155 -28.2714 167.609 -208.26 -118.048 PRESSAVG: 1134400 -40.9976 -51.4862 -1.8945 -51.4862 58.0796 -28.6169 -1.89448 -28.6169 -16.7807 GPRESSAVG: 1134400 -40.1892 -51.2959 -2.89715 -49.6299 57.4351 -29.1869 -3.82874 -27.3501 -16.9152 TIMING: 1134400 CPU: 3592.34, 0.00314406/step Wall: 3592.34, 0.00314406/step, 3.37602 hours remaining, 239.339844 MB of memory in use. ENERGY: 1134400 3923.9922 20310.4442 14408.5260 266.2223 -203269.8398 2637.6202 0.0000 0.0000 51976.9894 -109746.0455 298.7125 -161723.0349 -109377.1865 297.8821 -22.9856 -1.2446 763230.8356 0.1004 0.1102 PRESSURE: 1134600 114.248 39.2664 -56.2786 39.2651 65.8002 -178.09 -56.2789 -178.091 -32.2863 GPRESSURE: 1134600 135.156 -19.4621 -36.7058 -3.01484 108.198 -193.173 -31.5881 -45.3904 -15.7839 PRESSAVG: 1134600 -56.5261 -21.1019 20.2268 -21.1019 25.0185 19.9746 20.2268 19.9745 -33.5336 GPRESSAVG: 1134600 -57.1481 -23.5444 20.5502 -19.8221 25.2535 20.7141 20.1273 19.6492 -33.7556 TIMING: 1134600 CPU: 3592.97, 0.00315083/step Wall: 3592.97, 0.00315083/step, 3.38311 hours remaining, 239.339844 MB of memory in use. ENERGY: 1134600 3905.0924 20391.2395 14442.8149 271.0068 -203568.0001 2903.2994 0.0000 0.0000 51878.7335 -109775.8136 298.1478 -161654.5471 -109408.0777 298.0961 49.2541 75.8568 764094.8949 -21.6804 -21.8834 PRESSURE: 1134800 33.8542 40.2052 -14.713 40.205 -250.436 -131.897 -14.7137 -131.897 49.0851 GPRESSURE: 1134800 -17.1413 -41.1324 -13.0826 -18.2204 -150.855 -144.11 63.0821 -121.637 75.7062 PRESSAVG: 1134800 1.47928 47.9867 -32.6981 47.9866 5.37977 -49.7047 -32.6982 -49.7048 4.95486 GPRESSAVG: 1134800 -0.0207223 49.7796 -31.6564 45.6034 5.4634 -48.5531 -31.6854 -49.3575 6.18972 TIMING: 1134800 CPU: 3593.6, 0.00315258/step Wall: 3593.6, 0.00315258/step, 3.38482 hours remaining, 239.339844 MB of memory in use. ENERGY: 1134800 3987.1530 20504.7401 14488.5170 245.2020 -203573.0473 2742.0305 0.0000 0.0000 51982.0557 -109623.3490 298.7416 -161605.4047 -109258.9640 298.5074 -55.8321 -30.7635 763464.9511 3.9380 3.8775 PRESSURE: 1135000 73.1057 -41.7384 -175.861 -41.7385 69.1164 -327.58 -175.86 -327.578 -753.704 GPRESSURE: 1135000 44.4918 -15.1739 -143.822 -91.8776 92.8642 -313.162 -259.922 -355.637 -668.389 PRESSAVG: 1135000 -57.4969 1.58244 0.492906 1.58243 49.7964 23.2199 0.492959 23.22 -4.74046 GPRESSAVG: 1135000 -55.7893 3.92153 -0.219706 1.7412 48.1969 21.0585 1.12347 22.4438 -4.91432 TIMING: 1135000 CPU: 3594.23, 0.00318375/step Wall: 3594.23, 0.00318375/step, 3.41811 hours remaining, 239.339844 MB of memory in use. ENERGY: 1135000 3983.1806 20509.2346 14487.2111 249.7281 -203407.1588 2572.1980 0.0000 0.0000 51913.1677 -109692.4387 298.3457 -161605.6064 -109329.6420 298.5441 -203.8272 -177.0111 762123.4206 -4.1470 -4.1689 PRESSURE: 1135200 27.2635 320.169 115.645 320.169 -44.0422 102.552 115.646 102.553 16.4643 GPRESSURE: 1135200 28.9263 431.703 112.14 258.995 -39.2002 128.735 169.907 258.175 102.999 PRESSAVG: 1135200 -23.2641 -16.9791 -46.0305 -16.9791 41.8315 33.6732 -46.0306 33.6732 -16.7237 GPRESSAVG: 1135200 -23.6835 -17.6654 -44.8167 -16.9745 43.2255 33.6921 -48.6096 34.6424 -18.1737 TIMING: 1135200 CPU: 3594.87, 0.00316485/step Wall: 3594.87, 0.00316485/step, 3.39764 hours remaining, 239.339844 MB of memory in use. ENERGY: 1135200 3970.6626 20435.3973 14482.2710 241.1519 -203324.4410 2635.3098 0.0000 0.0000 51816.6518 -109742.9966 297.7910 -161559.6484 -109380.3691 298.0885 -0.1048 30.9085 761747.7520 0.6146 0.4561 PRESSURE: 1135400 -226.957 -207.564 -3.04006 -207.563 -10.5574 -47.5887 -3.04048 -47.5883 80.2428 GPRESSURE: 1135400 -120.43 -250.288 -74.9416 -285.106 -17.7395 -84.8626 61.9012 73.782 67.121 PRESSAVG: 1135400 -24.2812 -56.3761 5.93261 -56.3762 18.9974 -23.6886 5.93257 -23.6885 14.1409 GPRESSAVG: 1135400 -24.6744 -58.8775 4.49911 -57.2456 19.2365 -23.612 9.13555 -23.4111 13.8627 TIMING: 1135400 CPU: 3595.5, 0.00317799/step Wall: 3595.5, 0.00317799/step, 3.41157 hours remaining, 239.339844 MB of memory in use. ENERGY: 1135400 3923.7390 20455.8871 14491.1672 241.4178 -203262.2642 2494.1865 0.0000 0.0000 52013.2494 -109642.6171 298.9209 -161655.8665 -109274.7818 298.4803 -52.4240 -23.6827 759932.1385 2.9524 2.8083 PRESSURE: 1135600 -48.8691 0.976103 -34.2756 0.975497 -26.434 1.61399 -34.2756 1.61419 16.5163 GPRESSURE: 1135600 -84.634 -14.5488 48.5919 50.8686 28.7466 51.2173 -77.3541 -84.9821 85.5735 PRESSAVG: 1135600 -30.6722 -25.1289 11.1104 -25.1289 -2.43378 -12.5134 11.1105 -12.5134 0.564536 GPRESSAVG: 1135600 -30.5356 -23.654 12.5143 -23.4415 -2.35708 -12.6356 7.93952 -14.3872 0.485353 TIMING: 1135600 CPU: 3596.14, 0.00319392/step Wall: 3596.14, 0.00319392/step, 3.4285 hours remaining, 239.339844 MB of memory in use. ENERGY: 1135600 3998.9815 20645.3222 14430.9089 246.7621 -203043.8525 2329.8128 0.0000 0.0000 52009.4883 -109382.5768 298.8992 -161392.0650 -109022.4309 298.9198 -19.5956 9.8954 758939.9888 -10.8471 -10.8024 PRESSURE: 1135800 -315.502 -206.605 -67.0015 -206.605 -175.953 -88.8617 -67.0014 -88.8623 95.2725 GPRESSURE: 1135800 -214.378 -173.778 -100.344 -240.573 -190.486 -94.4836 -80.5858 -54.0035 94.6824 PRESSAVG: 1135800 -21.4142 13.8558 4.72554 13.8558 62.7646 -13.1924 4.72549 -13.1924 -4.76325 GPRESSAVG: 1135800 -21.2107 15.0249 4.14436 10.9574 61.9208 -13.7814 7.15858 -9.69824 -3.75975 TIMING: 1135800 CPU: 3596.78, 0.0031788/step Wall: 3596.78, 0.0031788/step, 3.41209 hours remaining, 239.339844 MB of memory in use. ENERGY: 1135800 3985.7756 20616.6784 14446.3767 227.8783 -203210.7007 2522.6932 0.0000 0.0000 51958.8698 -109452.4287 298.6083 -161411.2984 -109089.0248 298.9438 -132.0609 -103.3939 758995.8576 12.1957 12.3168 PRESSURE: 1136000 67.3786 154.472 96.0483 154.472 -209.454 6.36545 96.0482 6.3658 34.5716 GPRESSURE: 1136000 2.88766 290.585 147.204 128.488 -100.766 -55.4986 -5.04207 -14.8883 70.031 PRESSAVG: 1136000 -29.2902 32.3611 -11.0586 32.3611 5.18071 -29.8493 -11.0587 -29.8493 -11.2714 GPRESSAVG: 1136000 -29.6483 30.6915 -11.1712 35.4806 5.82583 -28.8563 -10.4505 -34.0575 -11.106 TIMING: 1136000 CPU: 3597.41, 0.0031796/step Wall: 3597.41, 0.0031796/step, 3.41277 hours remaining, 239.339844 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: 1136000 4029.6795 20497.1700 14423.7785 234.4687 -203054.7915 2424.2129 0.0000 0.0000 51994.4418 -109451.0400 298.8128 -161445.4818 -109092.2760 299.2865 -35.8347 -9.2824 762126.2994 -11.7936 -11.6428 PRESSURE: 1136200 -176.956 45.0094 19.9133 45.0089 -218.533 -135.084 19.9134 -135.084 139.688 GPRESSURE: 1136200 -302.257 55.5415 7.60114 -24.2504 -122.081 -155.983 52.0066 -130.346 254.949 PRESSAVG: 1136200 22.8378 21.4042 33.1887 21.4043 -10.1996 -9.085 33.1887 -9.08506 13.2046 GPRESSAVG: 1136200 21.9094 21.7693 33.4724 20.9353 -9.85329 -9.73187 30.9853 -8.70321 13.852 TIMING: 1136200 CPU: 3598.05, 0.00318894/step Wall: 3598.05, 0.00318894/step, 3.42261 hours remaining, 239.339844 MB of memory in use. ENERGY: 1136200 3989.3232 20426.4953 14506.1766 234.5285 -203202.7048 2401.8702 0.0000 0.0000 52337.5671 -109306.7439 300.7847 -161644.3110 -108935.3918 298.5020 -85.2672 -56.4629 762582.1154 8.6142 8.6360 LDB: ============= START OF LOAD BALANCING ============== 3610.51 LDB: ============== END OF LOAD BALANCING =============== 3610.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3610.51 LDB: ============= START OF LOAD BALANCING ============== 3610.82 LDB: Largest compute 7032 load 0.036498 is 18.7% of average load 0.195093 LDB: Average compute 0.004427 is 2.3% of average load 0.195093 LDB: TIME 3610.83 LOAD: AVG 0.195093 MAX 0.216388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.113 MB LDB: TIME 3610.83 LOAD: AVG 0.195093 MAX 0.216388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.18 MB LDB: TIME 3610.83 LOAD: AVG 0.195093 MAX 0.216388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.18 MB LDB: ============== END OF LOAD BALANCING =============== 3610.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3610.83 PRESSURE: 1136400 -180.247 -106.083 -6.82333 -106.082 -207.391 -100.669 -6.82276 -100.669 -126.191 GPRESSURE: 1136400 -105.769 -65.7823 56.9809 -43.2646 -206.069 -127.849 -26.0128 -7.73574 -119.436 PRESSAVG: 1136400 36.0233 42.875 -6.55285 42.875 -46.2689 -13.4244 -6.55284 -13.4244 6.63156 GPRESSAVG: 1136400 37.5573 41.5367 -7.06448 43.243 -46.3406 -14.4275 -5.76718 -12.356 5.22426 TIMING: 1136400 CPU: 3598.7, 0.00323808/step Wall: 3598.7, 0.00323808/step, 3.47518 hours remaining, 238.421875 MB of memory in use. ENERGY: 1136400 3943.9672 20569.7341 14384.0640 236.7258 -203165.3623 2552.4354 0.0000 0.0000 52108.9703 -109369.4654 299.4710 -161478.4357 -109009.9409 299.2328 -171.2763 -143.7580 763587.9942 -1.2047 -1.1863 PRESSURE: 1136600 219.02 -54.2908 0.380798 -54.2918 -413.184 -19.0261 0.380933 -19.0261 -199.92 GPRESSURE: 1136600 145.667 20.3306 101.255 -153.226 -352.207 31.0001 -45.3747 34.7402 -130.724 PRESSAVG: 1136600 8.41832 45.8508 12.4261 45.8509 -14.9305 21.4373 12.4261 21.4373 13.2069 GPRESSAVG: 1136600 8.54095 46.2617 13.2851 45.7586 -15.8906 22.4927 11.574 21.3948 13.7533 TIMING: 1136600 CPU: 3599.33, 0.00315324/step Wall: 3599.33, 0.00315324/step, 3.38395 hours remaining, 238.625000 MB of memory in use. ENERGY: 1136600 3963.6133 20647.0001 14464.1405 235.5027 -202943.9844 2332.2254 0.0000 0.0000 51890.4575 -109411.0450 298.2152 -161301.5024 -109062.6120 298.3780 -131.3612 -112.4216 761788.5321 2.2316 2.1346 PRESSURE: 1136800 6.60931 -34.1542 -223.684 -34.1541 6.59055 3.32544 -223.685 3.32621 -232.952 GPRESSURE: 1136800 109.861 -45.235 -288.034 46.8244 -4.16326 -50.9795 -223.935 -1.9518 -222.345 PRESSAVG: 1136800 24.7925 75.6016 1.36066 75.6016 -29.1305 0.987811 1.36059 0.987871 -13.3172 GPRESSAVG: 1136800 25.1907 76.0847 0.589218 74.8678 -29.0463 0.935985 2.6932 0.216901 -13.3686 TIMING: 1136800 CPU: 3599.96, 0.00316485/step Wall: 3599.96, 0.00316485/step, 3.39623 hours remaining, 238.625000 MB of memory in use. ENERGY: 1136800 3904.1427 20492.5026 14451.3674 238.9019 -203320.3303 2771.4670 0.0000 0.0000 52051.6104 -109410.3382 299.1413 -161461.9486 -109049.1082 299.2151 -73.2508 -38.8825 760508.5233 -5.8851 -5.7414 PRESSURE: 1137000 316.552 84.8364 -404.396 84.8363 104.391 6.77074 -404.395 6.77031 97.5117 GPRESSURE: 1137000 225.898 109.876 -395.259 157.504 257.792 -111.573 -252.701 70.1733 118.216 PRESSAVG: 1137000 34.9795 1.52492 -7.70417 1.52487 0.713144 -21.6233 -7.7042 -21.6234 14.771 GPRESSAVG: 1137000 34.0184 2.81333 -7.39623 2.56579 0.712413 -21.2082 -7.95074 -22.1763 15.3876 TIMING: 1137000 CPU: 3600.59, 0.00315933/step Wall: 3600.59, 0.00315933/step, 3.39014 hours remaining, 238.625000 MB of memory in use. ENERGY: 1137000 3960.6703 20489.1818 14445.6833 272.8035 -203200.0863 2756.3221 0.0000 0.0000 51708.8855 -109566.5398 297.1717 -161275.4253 -109206.2373 298.3571 172.8182 200.6351 761101.4353 16.8212 16.7062 PRESSURE: 1137200 30.077 129.083 -218.665 129.083 8.37732 -329.271 -218.665 -329.271 168.531 GPRESSURE: 1137200 137.049 219.605 -309.245 329.669 30.9819 -276.132 -211.691 -353.085 133.42 PRESSAVG: 1137200 -20.6557 26.1799 -37.8898 26.1799 12.6284 -22.2295 -37.8898 -22.2295 -29.2211 GPRESSAVG: 1137200 -20.9267 26.0389 -38.2272 24.3555 13.4903 -22.8121 -37.5222 -21.5796 -29.2953 TIMING: 1137200 CPU: 3601.23, 0.00316904/step Wall: 3601.23, 0.00316904/step, 3.40038 hours remaining, 238.625000 MB of memory in use. ENERGY: 1137200 3960.0041 20561.7832 14431.3919 241.5548 -203512.2677 2743.4314 0.0000 0.0000 52286.9888 -109287.1134 300.4940 -161574.1022 -108922.4705 299.0807 68.9951 100.4838 759510.6656 -12.4161 -12.2439 PRESSURE: 1137400 -189.661 -149.105 -45.4008 -149.106 177.96 64.8353 -45.4004 64.8355 -12.27 GPRESSURE: 1137400 -201.893 15.2641 4.52214 -93.391 163.094 1.19812 -180.329 -31.6816 93.3798 PRESSAVG: 1137400 -6.25906 51.3337 -41.3848 51.3337 22.0383 -54.2861 -41.3848 -54.2861 21.9378 GPRESSAVG: 1137400 -6.51689 52.2128 -41.9247 52.9579 22.1833 -53.9257 -43.5478 -54.1602 21.6379 TIMING: 1137400 CPU: 3601.87, 0.00318578/step Wall: 3601.87, 0.00318578/step, 3.41816 hours remaining, 238.625000 MB of memory in use. ENERGY: 1137400 3998.9137 20555.2057 14469.2894 257.2823 -203199.4188 2658.2645 0.0000 0.0000 51954.6182 -109305.8448 298.5839 -161260.4631 -108942.4433 299.3999 -7.9904 18.1936 762891.2091 12.5724 12.4348 PRESSURE: 1137600 -231.425 229.879 37.86 229.879 -149.91 125.025 37.8594 125.027 -194.624 GPRESSURE: 1137600 -179.733 290.635 24.9587 285.102 -78.2743 134.794 -105.792 81.5186 -210.772 PRESSAVG: 1137600 -10.4331 48.6322 -85.2423 48.6322 16.9097 16.369 -85.2423 16.369 -11.9963 GPRESSAVG: 1137600 -10.3303 48.1916 -85.3034 48.0686 15.9079 15.8126 -84.3325 17.2145 -11.1721 TIMING: 1137600 CPU: 3602.5, 0.00317945/step Wall: 3602.5, 0.00317945/step, 3.4112 hours remaining, 238.625000 MB of memory in use. ENERGY: 1137600 4029.6443 20592.8558 14481.2958 236.3132 -203164.4063 2520.8840 0.0000 0.0000 51864.6603 -109438.7528 298.0669 -161303.4132 -109094.1221 299.2141 -191.9862 -156.2598 762743.9480 -1.8399 -1.8648 PRESSURE: 1137800 44.4909 137.697 -157.952 137.697 -418.998 49.7491 -157.953 49.7499 260.149 GPRESSURE: 1137800 25.1661 56.526 -213.681 30.8079 -358.496 69.0999 -201.922 38.3509 302.476 PRESSAVG: 1137800 -21.3851 40.8406 -85.7868 40.8406 -19.2593 77.1697 -85.7868 77.1696 2.65795 GPRESSAVG: 1137800 -19.7214 40.6992 -85.9785 40.8678 -19.4473 77.6701 -85.4646 77.2301 1.47856 TIMING: 1137800 CPU: 3603.14, 0.00317463/step Wall: 3603.14, 0.00317463/step, 3.40585 hours remaining, 238.625000 MB of memory in use. ENERGY: 1137800 4005.0404 20327.5356 14490.7838 262.3741 -203826.5907 2903.9892 0.0000 0.0000 52186.6379 -109650.2296 299.9173 -161836.8675 -109288.1250 298.8448 -38.1194 -10.2846 760739.1813 -12.6622 -12.5634 PRESSURE: 1138000 66.6348 -12.9261 -296.624 -12.9272 -121.606 90.4444 -296.624 90.4455 210.285 GPRESSURE: 1138000 134.39 109.648 -347.141 -84.7975 -81.589 141.751 -308.487 -117.645 171.708 PRESSAVG: 1138000 -30.9995 -4.81184 -47.8426 -4.81185 54.3758 -23.3445 -47.8427 -23.3444 -14.7746 GPRESSAVG: 1138000 -31.7921 -3.33122 -47.366 -7.46637 54.5702 -22.6342 -46.3933 -24.4047 -14.0537 TIMING: 1138000 CPU: 3603.77, 0.00317658/step Wall: 3603.77, 0.00317658/step, 3.40776 hours remaining, 238.625000 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: 1138000 3882.4689 20554.9422 14543.3020 256.2344 -203573.1293 2848.0151 0.0000 0.0000 51946.7450 -109541.4217 298.5387 -161488.1668 -109179.9176 299.1480 51.7713 74.8362 761593.0430 2.8672 2.9081 PRESSURE: 1138200 144.964 -172.743 -143.918 -172.743 262.641 219.836 -143.919 219.838 -29.0616 GPRESSURE: 1138200 170.52 -209.455 -87.9793 -280.07 303.338 201.395 -198.636 66.7614 -14.0892 PRESSAVG: 1138200 -47.2515 -17.9243 52.1586 -17.9243 19.8141 -10.6923 52.1586 -10.6922 -5.31455 GPRESSAVG: 1138200 -47.3841 -18.6051 52.4736 -16.971 20.542 -11.2314 51.3531 -12.2321 -6.0456 TIMING: 1138200 CPU: 3604.41, 0.00319065/step Wall: 3604.41, 0.00319065/step, 3.42268 hours remaining, 238.625000 MB of memory in use. ENERGY: 1138200 4027.9897 20620.9729 14449.8510 260.6354 -203764.2459 2968.3477 0.0000 0.0000 51883.8546 -109552.5946 298.1772 -161436.4492 -109197.2176 299.3903 126.1810 153.2560 761059.8934 -10.9173 -10.9625 PRESSURE: 1138400 187.685 -15.1979 136.092 -15.1975 320.492 -255.103 136.091 -255.103 63.3351 GPRESSURE: 1138400 343.225 57.7536 101.487 63.7324 228.058 -212.097 204.35 -222.879 84.1136 PRESSAVG: 1138400 -14.1838 57.2891 25.9992 57.289 7.56462 -38.7336 25.9993 -38.7337 13.3742 GPRESSAVG: 1138400 -14.298 57.5455 26.6028 60.8913 6.58113 -37.6697 25.2911 -37.4998 14.58 TIMING: 1138400 CPU: 3605.04, 0.0031761/step Wall: 3605.04, 0.0031761/step, 3.4069 hours remaining, 238.625000 MB of memory in use. ENERGY: 1138400 3994.2324 20534.3087 14428.5956 236.6087 -203824.3864 3014.2203 0.0000 0.0000 52092.6216 -109523.7991 299.3770 -161616.4207 -109153.9060 298.8561 190.5042 218.4656 760933.2498 2.2517 2.2877 PRESSURE: 1138600 -19.7702 60.8073 -42.5567 60.8074 -478.09 263.175 -42.5556 263.175 -280.879 GPRESSURE: 1138600 -65.8443 6.74051 -23.6474 69.9645 -348.516 227.202 -39.1049 123.553 -283.115 PRESSAVG: 1138600 -2.05211 25.6613 -17.8968 25.6613 -12.919 12.2519 -17.8968 12.2519 4.08603 GPRESSAVG: 1138600 -2.03962 24.7805 -18.1713 24.0651 -11.2391 11.5296 -15.6347 12.5181 2.95747 TIMING: 1138600 CPU: 3605.68, 0.00317767/step Wall: 3605.68, 0.00317767/step, 3.40841 hours remaining, 238.625000 MB of memory in use. ENERGY: 1138600 4017.3023 20414.6323 14522.4872 245.0379 -203352.7813 2341.9847 0.0000 0.0000 52216.9556 -109594.3813 300.0916 -161811.3369 -109227.1164 299.4544 -259.5798 -232.4918 761657.3419 -3.6284 -3.4404 PRESSURE: 1138800 296.866 -0.986075 104.25 -0.986585 -204.977 -128.266 104.251 -128.266 -305.243 GPRESSURE: 1138800 293.093 -60.7191 21.8493 46.3039 -130.948 -170.721 28.9157 -137.807 -295.77 PRESSAVG: 1138800 13.675 6.55057 -14.1261 6.55061 -24.3417 -11.4405 -14.1261 -11.4406 6.14109 GPRESSAVG: 1138800 15.591 8.17647 -14.8283 6.20367 -25.4387 -11.3278 -16.4077 -9.32467 4.73611 TIMING: 1138800 CPU: 3606.32, 0.00319771/step Wall: 3606.32, 0.00319771/step, 3.42972 hours remaining, 238.625000 MB of memory in use. ENERGY: 1138800 4016.3703 20545.2149 14407.1235 267.5391 -203659.4952 2771.5952 0.0000 0.0000 52212.8072 -109438.8450 300.0677 -161651.6522 -109069.2124 299.8087 -71.1182 -44.5416 760690.6681 -1.5085 -1.7039 PRESSURE: 1139000 169.993 35.8844 -23.7675 35.8853 -172.734 61.7444 -23.7673 61.7445 110.797 GPRESSURE: 1139000 255.168 1.83448 -37.0037 35.8845 -189.722 52.3309 9.44597 10.9936 128.518 PRESSAVG: 1139000 3.56785 -4.00374 7.56668 -4.00366 15.3868 5.46847 7.56667 5.46845 18.5165 GPRESSAVG: 1139000 2.03753 -6.2443 7.0578 -3.29579 15.2484 4.14954 11.6761 5.25339 19.4512 TIMING: 1139000 CPU: 3606.96, 0.0031859/step Wall: 3606.96, 0.0031859/step, 3.41688 hours remaining, 238.625000 MB of memory in use. ENERGY: 1139000 4007.3812 20601.6197 14407.0531 251.6869 -203599.5383 2733.3899 0.0000 0.0000 52375.4510 -109222.9566 301.0024 -161598.4077 -108851.2785 300.0938 36.0185 64.6549 760676.0345 12.4904 12.2457 PRESSURE: 1139200 -109.951 369.37 94.8864 369.37 -71.7623 21.6132 94.8861 21.6127 -117.09 GPRESSURE: 1139200 -107.326 233.466 30.6797 215.973 -33.6582 40.1408 131.89 -37.4194 -71.3614 PRESSAVG: 1139200 24.9413 51.6127 -64.1292 51.6128 9.31768 -22.3345 -64.1292 -22.3345 1.80908 GPRESSAVG: 1139200 24.2656 51.9401 -63.0609 49.2059 8.7039 -19.9805 -67.1153 -22.8166 3.23832 TIMING: 1139200 CPU: 3607.59, 0.00317971/step Wall: 3607.59, 0.00317971/step, 3.41006 hours remaining, 238.625000 MB of memory in use. ENERGY: 1139200 4050.0750 20693.0954 14489.3846 247.0673 -203600.2127 2823.1032 0.0000 0.0000 52099.2871 -109198.2002 299.4153 -161297.4873 -108837.6389 299.7764 -99.6013 -70.7819 760356.5743 12.0227 12.0693 PRESSURE: 1139400 -7.56969 103.045 -128.95 103.044 -249.997 -183.816 -128.951 -183.816 -86.4941 GPRESSURE: 1139400 -23.4117 161.815 -197.147 0.96038 -176.459 -214.264 -168.168 -154.698 -52.773 PRESSAVG: 1139400 15.2609 72.4775 0.40178 72.4776 -43.7407 24.4683 0.401791 24.4683 21.6977 GPRESSAVG: 1139400 15.0747 73.7191 -1.31524 73.8133 -41.7526 24.2457 -2.13109 23.6928 20.1239 TIMING: 1139400 CPU: 3608.23, 0.00320079/step Wall: 3608.23, 0.00320079/step, 3.43249 hours remaining, 238.625000 MB of memory in use. ENERGY: 1139400 3967.0902 20367.9627 14465.0784 239.1747 -203252.7438 2499.2727 0.0000 0.0000 52203.1998 -109510.9652 300.0125 -161714.1651 -109141.4314 299.4621 -114.6868 -84.2147 762029.9870 -2.2607 -2.1847 PRESSURE: 1139600 119.787 26.5744 -107.386 26.575 -393.454 -25.3222 -107.386 -25.3222 447.555 GPRESSURE: 1139600 124.619 -27.7027 -92.1431 -19.719 -311.904 33.0769 -58.7228 -1.10819 435.563 PRESSAVG: 1139600 3.00843 16.8544 -38.3755 16.8545 -23.0203 -25.5113 -38.3754 -25.5113 4.11081 GPRESSAVG: 1139600 2.58124 16.1282 -36.8963 16.7196 -22.8535 -28.1218 -36.0398 -26.6383 5.07024 TIMING: 1139600 CPU: 3608.87, 0.00318582/step Wall: 3608.87, 0.00318582/step, 3.41626 hours remaining, 238.625000 MB of memory in use. ENERGY: 1139600 4040.4063 20571.9360 14520.0867 242.9008 -203695.9662 2792.0516 0.0000 0.0000 52026.0592 -109502.5254 298.9945 -161528.5847 -109143.9805 298.8776 57.9626 82.7595 762525.9598 -5.3003 -5.0673 PRESSURE: 1139800 -218.502 -27.6016 166.294 -27.6026 251.215 -269.7 166.293 -269.701 -481.32 GPRESSURE: 1139800 -176.119 -123.605 184.399 -0.343921 233.654 -234.569 139.93 -194.501 -405.746 PRESSAVG: 1139800 8.54729 -36.9958 -16.5454 -36.9958 -17.8732 39.0202 -16.5454 39.0203 0.0973174 GPRESSAVG: 1139800 9.28919 -35.5843 -14.5859 -35.8703 -18.5852 41.8344 -17.8632 41.4171 -0.148694 TIMING: 1139800 CPU: 3609.5, 0.00316928/step Wall: 3609.5, 0.00316928/step, 3.39835 hours remaining, 238.625000 MB of memory in use. ENERGY: 1139800 3969.7728 20524.8945 14525.2332 268.1159 -203675.0497 2830.8112 0.0000 0.0000 51992.0104 -109564.2117 298.7988 -161556.2221 -109205.6596 299.1239 -149.5356 -116.0705 760642.5547 -3.0762 -3.1482 PRESSURE: 1140000 -59.0545 -270.967 118.758 -270.966 -208.026 -103.763 118.758 -103.762 -140.621 GPRESSURE: 1140000 -56.6518 -107.336 38.6331 -195.847 -112.657 -100.577 178.893 -119.685 -153.953 PRESSAVG: 1140000 10.3904 -56.3684 -15.686 -56.3685 -24.5487 -9.30888 -15.686 -9.30883 12.2769 GPRESSAVG: 1140000 11.3599 -57.9697 -16.8671 -56.5179 -24.5902 -9.589 -15.5654 -10.0285 11.699 TIMING: 1140000 CPU: 3610.14, 0.00316421/step Wall: 3610.14, 0.00316421/step, 3.39274 hours remaining, 238.625000 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: 1140000 4097.2594 20460.2690 14494.9553 233.3150 -203509.5008 2833.6171 0.0000 0.0000 51971.2955 -109418.7894 298.6797 -161390.0850 -109061.2711 298.9290 -135.9005 -107.7540 762521.7209 -0.6271 -0.5104 PRESSURE: 1140200 108.815 29.4103 -43.6089 29.4107 134.731 65.7452 -43.6095 65.745 55.8903 GPRESSURE: 1140200 185.68 126.691 -60.2378 -78.0982 176.082 68.2193 -69.647 112.638 16.7026 PRESSAVG: 1140200 51.0018 26.0988 -49.4589 26.0988 -45.1592 14.6169 -49.459 14.6169 -28.6785 GPRESSAVG: 1140200 50.6285 26.2728 -48.7734 27.1303 -45.6835 14.4962 -50.6076 14.8032 -27.9124 TIMING: 1140200 CPU: 3610.77, 0.00317294/step Wall: 3610.77, 0.00317294/step, 3.40192 hours remaining, 238.625000 MB of memory in use. ENERGY: 1140200 4008.1993 20608.2881 14446.5177 258.2560 -203327.3545 2589.6005 0.0000 0.0000 51978.7709 -109437.7220 298.7227 -161416.4929 -109058.6469 298.6636 99.8122 126.1549 763062.9019 -7.6120 -7.6558 LDB: ============= START OF LOAD BALANCING ============== 3623.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3623.22 LDB: =============== DONE WITH MIGRATION ================ 3623.23 LDB: ============= START OF LOAD BALANCING ============== 3623.54 LDB: Largest compute 7068 load 0.035461 is 18.2% of average load 0.195276 LDB: Average compute 0.004410 is 2.3% of average load 0.195276 LDB: TIME 3623.54 LOAD: AVG 0.195276 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.457 MB LDB: TIME 3623.54 LOAD: AVG 0.195276 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: TIME 3623.54 LOAD: AVG 0.195276 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.496 MB LDB: ============== END OF LOAD BALANCING =============== 3623.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3623.55 PRESSURE: 1140400 -89.7924 170.3 104.793 170.301 102.352 -196.476 104.793 -196.476 -191.292 GPRESSURE: 1140400 11.0625 73.4181 34.8366 33.0758 129.343 -175.776 107.611 -176.252 -244.713 PRESSAVG: 1140400 42.3301 58.2886 -18.7449 58.2886 7.15504 -53.3585 -18.745 -53.3585 4.45291 GPRESSAVG: 1140400 42.0056 57.8395 -19.4549 54.7638 7.30356 -53.9439 -17.4411 -53.2841 4.4289 TIMING: 1140400 CPU: 3611.42, 0.00322268/step Wall: 3611.42, 0.00322268/step, 3.45507 hours remaining, 236.628906 MB of memory in use. ENERGY: 1140400 3908.0292 20512.3884 14547.0164 251.6261 -203255.0291 2530.9638 0.0000 0.0000 52161.1743 -109343.8310 299.7710 -161505.0053 -108981.4511 299.3880 -59.5776 -34.7692 762989.9741 17.9794 17.9127 PRESSURE: 1140600 83.8678 -75.8134 19.4371 -75.8128 -301.854 87.0887 19.4372 87.0879 468.792 GPRESSURE: 1140600 88.7663 -88.3733 16.662 -75.9559 -150.364 107.478 175.099 120.103 400.116 PRESSAVG: 1140600 -9.36641 6.60176 -17.2506 6.60174 -14.4245 -0.302803 -17.2507 -0.302826 -5.80148 GPRESSAVG: 1140600 -9.83735 4.34557 -16.6279 7.58494 -14.0334 -0.5778 -16.3052 2.08912 -5.79449 TIMING: 1140600 CPU: 3612.05, 0.00317332/step Wall: 3612.05, 0.00317332/step, 3.40198 hours remaining, 236.628906 MB of memory in use. ENERGY: 1140600 3935.6448 20465.1275 14491.0733 249.1567 -203165.4461 2481.8708 0.0000 0.0000 52155.3823 -109387.1907 299.7377 -161542.5731 -109025.0430 299.3898 83.6021 112.8395 762221.9352 -9.8641 -9.8884 PRESSURE: 1140800 466.155 125.374 183.112 125.374 46.9871 -181.013 183.111 -181.013 -198.048 GPRESSURE: 1140800 409.122 211.775 104.794 100.104 170.832 -234.38 108.884 -146.238 -193.765 PRESSAVG: 1140800 -47.7368 -3.40689 16.4213 -3.40687 92.0273 -19.2396 16.4212 -19.2396 -1.02757 GPRESSAVG: 1140800 -46.665 -1.0913 14.891 -1.14238 92.4406 -18.2493 15.8774 -20.4532 -2.47029 TIMING: 1140800 CPU: 3612.68, 0.0031406/step Wall: 3612.68, 0.0031406/step, 3.36672 hours remaining, 236.628906 MB of memory in use. ENERGY: 1140800 4004.6570 20556.7916 14521.3272 268.3048 -203459.8528 2901.9821 0.0000 0.0000 52107.3550 -109099.4351 299.4617 -161206.7901 -108741.5949 299.7845 105.0314 128.7294 762976.5350 14.4210 14.4351 PRESSURE: 1141000 -72.7411 88.139 186.57 88.1392 -244.512 141.862 186.569 141.861 -60.1572 GPRESSURE: 1141000 -36.5435 88.0969 215.503 115.18 -214.098 146.605 132.691 104.337 -38.7667 PRESSAVG: 1141000 -59.7171 -41.8005 -31.9778 -41.8005 13.4148 12.3723 -31.9779 12.3723 -0.443436 GPRESSAVG: 1141000 -58.7571 -42.7244 -32.9089 -43.9034 11.8869 13.0209 -29.8889 12.6977 -0.491365 TIMING: 1141000 CPU: 3613.31, 0.00315265/step Wall: 3613.31, 0.00315265/step, 3.37947 hours remaining, 236.628906 MB of memory in use. ENERGY: 1141000 4067.5052 20478.2829 14460.9690 257.7234 -203401.8417 2448.6229 0.0000 0.0000 52423.3215 -109265.4168 301.2775 -161688.7383 -108891.4530 300.0234 -125.8034 -96.4694 761723.4442 -15.5819 -15.7872 PRESSURE: 1141200 -357.889 -81.6238 268.302 -81.624 -254.594 -85.3492 268.303 -85.3489 227.397 GPRESSURE: 1141200 -335.629 -62.9659 331.356 17.1749 -200.399 -34.8473 292.571 -99.3185 214.945 PRESSAVG: 1141200 -38.4895 -14.3236 28.783 -14.3236 18.874 16.5904 28.7829 16.5904 22.9264 GPRESSAVG: 1141200 -37.8345 -13.2982 31.0682 -14.4202 18.6512 16.4405 26.775 14.9694 22.4146 TIMING: 1141200 CPU: 3613.94, 0.00315349/step Wall: 3613.94, 0.00315349/step, 3.38019 hours remaining, 236.628906 MB of memory in use. ENERGY: 1141200 4014.8421 20765.4059 14421.5369 227.9049 -203399.7153 2602.6524 0.0000 0.0000 52082.2666 -109285.1066 299.3175 -161367.3732 -108926.2408 299.8697 -128.3618 -107.0276 762569.0492 1.1036 1.0771 PRESSURE: 1141400 -209.035 -186.347 -197.684 -186.346 -190.81 -91.3486 -197.685 -91.3476 -193.427 GPRESSURE: 1141400 -182.585 -330.22 -126.553 -187.25 -141.746 -163.564 -41.782 -39.529 -179.132 PRESSAVG: 1141400 -2.13004 8.50652 -7.13347 8.50655 -23.044 -29.8908 -7.13349 -29.8908 -0.301849 GPRESSAVG: 1141400 -4.67418 5.67322 -6.13527 10.4748 -20.4663 -30.4928 -7.50617 -28.7605 -0.320217 TIMING: 1141400 CPU: 3614.57, 0.00316121/step Wall: 3614.57, 0.00316121/step, 3.38829 hours remaining, 236.628906 MB of memory in use. ENERGY: 1141400 4033.1367 20507.3461 14472.0774 249.3817 -203310.6658 2734.8929 0.0000 0.0000 52039.9651 -109273.8659 299.0744 -161313.8310 -108915.8430 299.8522 -197.7572 -167.8210 762893.9479 -8.4920 -8.4869 PRESSURE: 1141600 126.381 -226.54 -16.2239 -226.54 450.417 -182.343 -16.2241 -182.343 24.4284 GPRESSURE: 1141600 166.085 -136.782 -20.1216 -215.409 449.645 -242.33 51.3318 -186.641 73.7486 PRESSAVG: 1141600 -51.6265 30.3782 20.7133 30.3783 15.4724 -6.37303 20.7133 -6.37303 12.8486 GPRESSAVG: 1141600 -52.5946 32.9701 19.6725 29.5226 15.7047 -6.34505 18.3547 -8.2212 13.9932 TIMING: 1141600 CPU: 3615.2, 0.0031267/step Wall: 3615.2, 0.0031267/step, 3.35112 hours remaining, 236.628906 MB of memory in use. ENERGY: 1141600 4022.1545 20412.2137 14445.4143 262.7257 -203352.0915 2849.4252 0.0000 0.0000 52063.8693 -109296.2888 299.2118 -161360.1580 -108924.3408 299.2405 200.4087 229.8261 760753.3750 -7.7685 -7.6322 PRESSURE: 1141800 -198.195 135.22 -149.023 135.22 35.8671 69.9485 -149.023 69.9485 -390.35 GPRESSURE: 1141800 -94.3799 150.439 -198.474 262.403 22.0988 -23.6878 -174.029 11.9841 -415.978 PRESSAVG: 1141800 20.922 48.1085 -37.8425 48.1084 7.23139 -33.4457 -37.8425 -33.4457 -28.3039 GPRESSAVG: 1141800 22.243 49.2954 -37.5049 46.9339 6.47396 -32.9408 -34.303 -31.912 -28.7619 TIMING: 1141800 CPU: 3615.83, 0.00317371/step Wall: 3615.83, 0.00317371/step, 3.40134 hours remaining, 236.628906 MB of memory in use. ENERGY: 1141800 4073.6165 20533.7258 14529.0766 223.0042 -203334.9705 2600.8400 0.0000 0.0000 51907.6199 -109467.0875 298.3138 -161374.7074 -109103.0110 299.3025 -184.2260 -162.7529 760039.2290 -0.0501 -0.0150 PRESSURE: 1142000 -284.87 200.303 140.803 200.303 8.44322 -257.392 140.802 -257.392 -44.6807 GPRESSURE: 1142000 -224.782 191.469 126.25 150.194 39.5128 -237.971 138.612 -137.57 -69.3424 PRESSAVG: 1142000 -22.9553 88.7769 -28.8772 88.7769 8.67906 -27.071 -28.8772 -27.071 5.85631 GPRESSAVG: 1142000 -21.4298 87.1418 -28.4637 90.9953 8.12714 -28.008 -28.9398 -27.0662 4.86314 TIMING: 1142000 CPU: 3616.46, 0.00315659/step Wall: 3616.46, 0.00315659/step, 3.38281 hours remaining, 236.628906 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: 1142000 4001.0059 20477.8037 14504.0911 254.8351 -203463.9539 2515.3459 0.0000 0.0000 52274.2089 -109436.6633 300.4206 -161710.8722 -109067.4715 298.8970 -107.0359 -84.8704 761231.0338 -2.8066 -2.8132 PRESSURE: 1142200 103.283 73.5424 -112.237 73.5428 -426.121 -60.9641 -112.238 -60.9651 122.054 GPRESSURE: 1142200 62.3077 237.379 -36.128 97.4636 -355.838 19.3473 -60.664 -161.867 167.685 PRESSAVG: 1142200 -8.70293 27.1072 6.61226 27.1072 -3.22049 -12.2424 6.61222 -12.2424 -23.6088 GPRESSAVG: 1142200 -10.7554 30.0186 5.05156 25.6286 -2.99776 -11.4358 7.75355 -13.0247 -21.5584 TIMING: 1142200 CPU: 3617.09, 0.00314829/step Wall: 3617.09, 0.00314829/step, 3.37374 hours remaining, 236.628906 MB of memory in use. ENERGY: 1142200 3945.2761 20511.9360 14453.5431 250.0466 -203152.6727 2541.5345 0.0000 0.0000 52052.0666 -109398.2697 299.1439 -161450.3364 -109034.9034 299.7767 -66.9281 -41.9486 760885.1807 -11.8441 -11.7705 PRESSURE: 1142400 -248.586 29.7413 -99.5729 29.7423 -82.3393 -67.1129 -99.573 -67.1123 -41.0738 GPRESSURE: 1142400 -158.101 49.8461 -211.772 146.868 -95.6832 -18.1944 -216.171 -53.1978 -44.9348 PRESSAVG: 1142400 1.39029 94.2268 -35.7673 94.2268 15.6846 -23.1794 -35.7673 -23.1794 35.3624 GPRESSAVG: 1142400 1.24054 90.5489 -35.4522 94.0465 16.0605 -23.6003 -39.382 -24.9762 34.3295 TIMING: 1142400 CPU: 3617.72, 0.00314661/step Wall: 3617.72, 0.00314661/step, 3.37177 hours remaining, 236.628906 MB of memory in use. ENERGY: 1142400 3930.9730 20492.0952 14529.8287 224.7491 -203048.7924 2345.3710 0.0000 0.0000 52041.8079 -109483.9675 299.0850 -161525.7754 -109121.0874 299.5730 -123.9998 -99.5731 761372.9298 17.4791 17.2102 PRESSURE: 1142600 -9.16382 320.781 -27.5567 320.779 -265.537 -47.9534 -27.5572 -47.9542 22.725 GPRESSURE: 1142600 -13.0883 240.236 44.522 301.064 -141.9 -76.5516 -123.692 6.53319 -12.5488 PRESSAVG: 1142600 20.6644 110.763 -32.7176 110.763 -16.324 -53.2631 -32.7177 -53.2632 20.0579 GPRESSAVG: 1142600 21.3764 113.657 -31.169 111.153 -16.6268 -54.1387 -31.3777 -51.8728 19.9784 TIMING: 1142600 CPU: 3618.35, 0.00313663/step Wall: 3618.35, 0.00313663/step, 3.36089 hours remaining, 236.628906 MB of memory in use. ENERGY: 1142600 4058.3044 20509.0349 14540.6951 247.8327 -203452.7070 2688.2332 0.0000 0.0000 51966.6681 -109441.9387 298.6532 -161408.6068 -109087.9809 299.2660 -83.9919 -55.8457 760082.2290 8.1328 8.2427 PRESSURE: 1142800 -193.884 -127.281 178.767 -127.281 -233.3 93.0436 178.767 93.0436 86.2959 GPRESSURE: 1142800 -202.495 -64.2433 131.819 27.727 -217.277 121.782 194.287 40.5207 161.116 PRESSAVG: 1142800 30.6321 17.0755 11.0767 17.0755 48.5166 -16.7684 11.0767 -16.7684 7.44499 GPRESSAVG: 1142800 30.8092 15.8819 9.40689 16.1655 48.1109 -15.1068 12.914 -16.83 7.93165 TIMING: 1142800 CPU: 3618.98, 0.00314502/step Wall: 3618.98, 0.00314502/step, 3.36971 hours remaining, 236.628906 MB of memory in use. ENERGY: 1142800 4048.5677 20571.1909 14514.2490 254.1169 -203238.6720 2601.4124 0.0000 0.0000 51752.0349 -109497.1004 297.4197 -161249.1352 -109145.3595 299.2201 -113.6292 -86.2188 763772.2963 28.8646 28.9506 PRESSURE: 1143000 107.116 -134.514 -56.0969 -134.514 133.568 -140.028 -56.0972 -140.028 306.052 GPRESSURE: 1143000 145.69 -88.5152 -117.062 -131.778 162.244 -188.029 -15.9568 -116.446 302.812 PRESSAVG: 1143000 -28.4422 10.3305 -17.3054 10.3304 -11.3373 6.4914 -17.3055 6.49143 -16.3667 GPRESSAVG: 1143000 -29.5556 11.1996 -18.3135 11.8569 -10.8996 4.44096 -18.6879 6.69749 -15.9094 TIMING: 1143000 CPU: 3619.61, 0.0031558/step Wall: 3619.61, 0.0031558/step, 3.38109 hours remaining, 236.628906 MB of memory in use. ENERGY: 1143000 3877.6031 20547.6024 14435.2832 247.0745 -203555.1695 2650.5278 0.0000 0.0000 52238.9855 -109558.0931 300.2182 -161797.0786 -109193.0941 299.0231 182.2457 203.5818 761451.9030 -18.7154 -18.7882 PRESSURE: 1143200 -440.756 161.178 -117.999 161.178 -216.014 258.706 -117.999 258.706 -373.398 GPRESSURE: 1143200 -317.231 -3.30456 -76.2975 177.635 -227.321 225.434 -235.113 240.189 -392.72 PRESSAVG: 1143200 -92.4465 49.0295 27.1025 49.0295 61.4572 -46.5413 27.1025 -46.5413 1.84028 GPRESSAVG: 1143200 -92.1972 47.6433 28.3692 48.7395 62.3668 -46.8006 27.3957 -46.2234 1.06392 TIMING: 1143200 CPU: 3620.24, 0.00316966/step Wall: 3620.24, 0.00316966/step, 3.39577 hours remaining, 236.628906 MB of memory in use. ENERGY: 1143200 4058.3052 20356.4534 14409.7406 227.8179 -203374.5442 2559.5099 0.0000 0.0000 52222.7852 -109539.9320 300.1251 -161762.7172 -109186.0780 299.3330 -343.3892 -312.4239 762300.1444 -9.7163 -9.5888 PRESSURE: 1143400 108.72 -9.91467 238.608 -9.91521 -385.442 38.5086 238.608 38.5089 -182.19 GPRESSURE: 1143400 82.8285 43.3237 338.137 97.317 -317.684 -74.7252 177.821 79.0922 -139.118 PRESSAVG: 1143400 0.670796 53.7601 16.092 53.7601 11.3728 -22.2893 16.092 -22.2892 11.6812 GPRESSAVG: 1143400 0.801128 53.2536 15.5547 53.7582 11.3091 -20.8181 15.6027 -23.1626 12.0518 TIMING: 1143400 CPU: 3620.88, 0.00317167/step Wall: 3620.88, 0.00317167/step, 3.39774 hours remaining, 236.628906 MB of memory in use. ENERGY: 1143400 4009.5588 20611.2407 14489.2975 248.9191 -203435.8268 2696.1694 0.0000 0.0000 51937.4697 -109443.1715 298.4854 -161380.6412 -109089.1813 299.5632 -152.9706 -124.6580 761403.9837 7.9082 8.0540 PRESSURE: 1143600 66.1625 145.885 -117.041 145.885 347.728 114.167 -117.041 114.167 30.1251 GPRESSURE: 1143600 158.768 47.0833 -90.0406 16.8098 291.031 76.0295 -6.63172 225.954 42.7978 PRESSAVG: 1143600 41.6195 59.5253 -47.6287 59.5253 5.75409 8.08109 -47.6287 8.08108 19.4384 GPRESSAVG: 1143600 42.4446 61.4646 -47.0219 58.7455 5.88593 5.80754 -46.5447 10.1833 18.806 TIMING: 1143600 CPU: 3621.51, 0.00316138/step Wall: 3621.51, 0.00316138/step, 3.38654 hours remaining, 236.628906 MB of memory in use. ENERGY: 1143600 3981.4263 20662.1118 14522.0993 230.3477 -203640.8871 2753.6521 0.0000 0.0000 51998.6870 -109492.5629 298.8372 -161491.2499 -109148.6005 299.2164 148.0053 164.1992 759965.1435 22.2707 22.3788 PRESSURE: 1143800 -301.589 -234.127 73.0424 -234.127 127.19 -79.3836 73.0427 -79.3835 -52.0072 GPRESSURE: 1143800 -300.691 -168.072 94.6988 -112.713 143.651 -16.7323 124.511 -150.718 18.6718 PRESSAVG: 1143800 59.4413 21.0734 44.0725 21.0734 -61.2399 48.1248 44.0725 48.1248 11.6186 GPRESSAVG: 1143800 59.037 19.5729 44.2959 21.1637 -62.6029 48.5763 43.7311 48.8285 12.3421 TIMING: 1143800 CPU: 3622.14, 0.00313944/step Wall: 3622.14, 0.00313944/step, 3.36286 hours remaining, 236.628906 MB of memory in use. ENERGY: 1143800 4035.7905 20456.2656 14464.3038 249.3045 -203380.1979 2496.1510 0.0000 0.0000 52005.0205 -109673.3619 298.8736 -161678.3825 -109303.3334 299.3561 -75.4688 -46.1227 760445.2735 3.2733 2.9254 PRESSURE: 1144000 202.817 -58.7131 -310.967 -58.7134 -376.971 -101.668 -310.968 -101.667 11.0004 GPRESSURE: 1144000 162.935 -50.3383 -301.568 -28.9122 -311.959 -72.3641 -450.305 -79.2705 71.5139 PRESSAVG: 1144000 38.325 73.8438 42.3652 73.8438 -32.7425 4.65852 42.3653 4.65854 -3.58518 GPRESSAVG: 1144000 38.417 75.0356 42.4467 75.0369 -32.1992 6.00876 42.3995 1.73641 -3.52545 TIMING: 1144000 CPU: 3622.77, 0.00317393/step Wall: 3622.77, 0.00317393/step, 3.39963 hours remaining, 236.628906 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: 1144000 4028.8262 20507.2877 14536.6704 246.5593 -203047.1087 2418.7247 0.0000 0.0000 51650.1834 -109658.8571 296.8343 -161309.0405 -109296.2181 298.9031 -54.3844 -25.8368 763607.5206 0.6658 0.8974 PRESSURE: 1144200 -287.123 316.124 85.8667 316.125 -416.104 -46.7532 85.8658 -46.754 -137.006 GPRESSURE: 1144200 -193.162 179.797 124.629 251.276 -422.872 -103.536 -6.17254 -8.56085 -121.6 PRESSAVG: 1144200 -13.5053 50.7507 5.37143 50.7507 -9.08028 -10.6351 5.37145 -10.6351 -13.5819 GPRESSAVG: 1144200 -14.2819 49.0989 3.77284 49.8295 -9.42588 -10.6431 5.75813 -8.51146 -12.3175 TIMING: 1144200 CPU: 3623.41, 0.00319106/step Wall: 3623.41, 0.00319107/step, 3.41781 hours remaining, 236.628906 MB of memory in use. ENERGY: 1144200 4043.6108 20500.7539 14555.7864 235.5021 -203541.2708 2545.2971 0.0000 0.0000 51969.3926 -109690.9279 298.6688 -161660.3205 -109327.2461 298.6171 -280.0774 -245.8777 761302.0110 -12.0558 -12.0084 LDB: ============= START OF LOAD BALANCING ============== 3635.87 LDB: ============== END OF LOAD BALANCING =============== 3635.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3635.87 LDB: ============= START OF LOAD BALANCING ============== 3636.19 LDB: Largest compute 7031 load 0.036800 is 18.9% of average load 0.195041 LDB: Average compute 0.004416 is 2.3% of average load 0.195041 LDB: TIME 3636.19 LOAD: AVG 0.195041 MAX 0.216276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.402 MB LDB: TIME 3636.19 LOAD: AVG 0.195041 MAX 0.216276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: TIME 3636.19 LOAD: AVG 0.195041 MAX 0.216276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.406 MB LDB: ============== END OF LOAD BALANCING =============== 3636.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3636.2 PRESSURE: 1144400 -459.932 -101.511 -135.636 -101.51 -92.5862 347.306 -135.634 347.306 -103.224 GPRESSURE: 1144400 -378.119 -130.525 -155.717 -161.273 -75.1685 247.739 -107.047 211.197 -130.73 PRESSAVG: 1144400 7.32066 33.4642 34.5064 33.4644 33.6814 -21.598 34.5064 -21.5981 26.3205 GPRESSAVG: 1144400 8.50639 32.4433 34.3173 31.6159 33.0845 -22.4399 30.033 -25.5861 25.3283 TIMING: 1144400 CPU: 3624.06, 0.00325058/step Wall: 3624.06, 0.00325058/step, 3.48137 hours remaining, 237.343750 MB of memory in use. ENERGY: 1144400 3980.6121 20407.5088 14513.5070 248.3774 -203292.7041 2368.4694 0.0000 0.0000 52381.4338 -109392.7955 301.0368 -161774.2293 -109022.4619 298.7169 -218.5805 -194.6725 761334.2074 22.4408 22.3064 PRESSURE: 1144600 280.891 119.347 155.109 119.347 -66.7303 38.8454 155.108 38.8443 -110.271 GPRESSURE: 1144600 269.954 69.29 141.276 125.153 17.8568 67.0377 226.185 31.4339 -103.571 PRESSAVG: 1144600 25.5943 38.841 21.2371 38.8409 -33.6025 2.16709 21.2371 2.16706 -12.8842 GPRESSAVG: 1144600 25.3552 42.5242 22.0548 38.6418 -32.5459 2.50679 23.3424 5.24168 -13.5393 TIMING: 1144600 CPU: 3624.69, 0.00316273/step Wall: 3624.69, 0.00316273/step, 3.38711 hours remaining, 237.343750 MB of memory in use. ENERGY: 1144600 3919.6897 20569.4570 14506.8167 254.8845 -202918.3028 2352.8198 0.0000 0.0000 52244.0634 -109070.5716 300.2474 -161314.6349 -108693.6217 299.7853 34.6299 61.4132 762670.9121 -6.9641 -6.9100 PRESSURE: 1144800 1.80187 -163.689 103.11 -163.69 -133.143 75.7224 103.109 75.7233 92.0239 GPRESSURE: 1144800 -48.5734 -106.397 183.805 -185.069 -27.5336 4.91689 -22.9889 53.7598 122.458 PRESSAVG: 1144800 13.8784 29.0095 24.1495 29.0095 -33.8996 13.8267 24.1495 13.8268 8.21137 GPRESSAVG: 1144800 14.1881 27.1748 24.7354 30.9427 -34.3188 14.0496 25.2895 15.4281 8.12297 TIMING: 1144800 CPU: 3625.33, 0.00315966/step Wall: 3625.33, 0.00315966/step, 3.38364 hours remaining, 237.343750 MB of memory in use. ENERGY: 1144800 4002.8272 20491.3688 14470.3464 260.4986 -203025.8621 2671.6677 0.0000 0.0000 52003.4163 -109125.7371 298.8643 -161129.1533 -108767.4043 300.0530 -13.1058 15.4504 762378.0232 -3.9366 -4.0026 PRESSURE: 1145000 -181.805 165.25 -207.601 165.249 -29.9314 -154.991 -207.601 -154.99 -243.568 GPRESSURE: 1145000 -118.716 95.1809 -151.023 124.095 -15.239 -84.4011 -206.03 -56.4072 -275.769 PRESSAVG: 1145000 7.99199 23.5716 12.0653 23.5716 -15.6761 -27.4452 12.0653 -27.4452 0.545938 GPRESSAVG: 1145000 8.08607 21.9306 11.3267 23.5879 -16.156 -27.4942 13.7968 -29.1945 0.407947 TIMING: 1145000 CPU: 3625.96, 0.00317746/step Wall: 3625.96, 0.00317746/step, 3.40253 hours remaining, 237.343750 MB of memory in use. ENERGY: 1145000 3976.9625 20571.1427 14396.1969 237.5019 -202899.4396 2353.0637 0.0000 0.0000 52207.1410 -109157.4309 300.0352 -161364.5719 -108787.7940 299.4647 -151.7680 -136.5749 762131.8071 -2.3794 -2.5540 PRESSURE: 1145200 128.491 217.878 113.091 217.878 348.439 -140.595 113.09 -140.594 254.029 GPRESSURE: 1145200 152.567 208.346 116.272 13.6312 365.978 -191.011 96.1363 -184.233 273.782 PRESSAVG: 1145200 -53.6218 -0.953006 36.4546 -0.953008 34.8088 -40.346 36.4546 -40.346 -15.6439 GPRESSAVG: 1145200 -54.2345 -0.735927 35.0886 -0.954087 34.415 -39.0086 36.3288 -40.9846 -15.1747 TIMING: 1145200 CPU: 3626.6, 0.00318284/step Wall: 3626.6, 0.00318284/step, 3.40812 hours remaining, 237.343750 MB of memory in use. ENERGY: 1145200 3999.6338 20467.1293 14477.4765 237.6910 -203058.8115 2652.2289 0.0000 0.0000 52190.1583 -109034.4938 299.9376 -161224.6521 -108663.9702 299.6394 243.6527 264.1091 761604.0572 -11.4857 -11.6647 PRESSURE: 1145400 30.7324 35.4604 -294.578 35.4617 -64.5938 -32.4044 -294.578 -32.4044 -81.2058 GPRESSURE: 1145400 57.0667 -126.696 -340.614 24.8009 17.4626 -25.3769 -223.529 -0.89277 -117.587 PRESSAVG: 1145400 -36.947 17.0391 -31.5393 17.0391 59.3436 -56.4736 -31.5393 -56.4735 -1.25791 GPRESSAVG: 1145400 -36.2599 16.36 -31.1521 18.1857 58.9144 -56.5457 -33.7289 -56.6531 -1.36065 TIMING: 1145400 CPU: 3627.23, 0.00316088/step Wall: 3627.23, 0.00316088/step, 3.38443 hours remaining, 237.343750 MB of memory in use. ENERGY: 1145400 3944.5482 20599.0721 14437.6261 227.1627 -203205.2030 2656.4368 0.0000 0.0000 52239.1549 -109101.2021 300.2191 -161340.3570 -108735.7635 300.0198 -38.3557 -14.3524 760945.0005 7.0462 7.0980 PRESSURE: 1145600 -42.9388 -9.13497 -46.9674 -9.13544 -35.6729 -83.7078 -46.968 -83.7071 15.5303 GPRESSURE: 1145600 -22.6643 -18.0627 8.75986 -119.122 22.6596 -68.7176 -133.454 -148.665 47.2554 PRESSAVG: 1145600 -40.4503 5.06642 -17.3094 5.06641 51.1896 -33.3872 -17.3094 -33.3872 16.9601 GPRESSAVG: 1145600 -40.8439 6.02375 -17.7688 2.24069 52.3741 -35.4249 -18.1992 -30.8767 16.3197 TIMING: 1145600 CPU: 3627.86, 0.00314393/step Wall: 3627.86, 0.00314393/step, 3.3661 hours remaining, 237.343750 MB of memory in use. ENERGY: 1145600 4005.4813 20467.0351 14394.4284 242.4625 -202931.2206 2485.8100 0.0000 0.0000 52224.9231 -109111.0803 300.1374 -161336.0034 -108749.5521 299.9106 -21.0271 15.7502 761266.2224 9.2331 9.2833 PRESSURE: 1145800 21.1617 -17.0843 -163.417 -17.084 179.098 235.623 -163.417 235.622 -185.688 GPRESSURE: 1145800 97.4564 58.749 -101.931 0.394497 199.777 269.62 -59.1999 180.163 -181.282 PRESSAVG: 1145800 18.8039 41.2194 -55.8987 41.2194 -1.4411 3.93363 -55.8987 3.93362 -17.8637 GPRESSAVG: 1145800 18.6191 40.3237 -54.8564 43.3805 -1.14384 5.01092 -53.2403 3.45178 -17.7016 TIMING: 1145800 CPU: 3628.5, 0.0031852/step Wall: 3628.5, 0.0031852/step, 3.41011 hours remaining, 237.343750 MB of memory in use. ENERGY: 1145800 4016.3991 20489.5924 14542.4371 243.3886 -203300.3342 2690.0997 0.0000 0.0000 52304.9677 -109013.4495 300.5974 -161318.4172 -108655.0133 300.1202 4.8574 38.6505 761028.9986 -0.1670 -0.0755 PRESSURE: 1146000 -140.773 -8.14646 -2.28235 -8.1463 -143.525 -121.76 -2.28295 -121.76 -152.753 GPRESSURE: 1146000 -134.514 82.8806 -100.142 -79.6677 -118.266 -201.155 -115.565 -174.343 -115.812 PRESSAVG: 1146000 -28.1056 52.079 -21.3595 52.0789 23.2163 -6.04039 -21.3595 -6.0403 -16.9523 GPRESSAVG: 1146000 -28.1525 52.8148 -22.1256 51.6466 22.3327 -6.6074 -22.9749 -7.31571 -16.1429 TIMING: 1146000 CPU: 3629.13, 0.00317691/step Wall: 3629.13, 0.00317691/step, 3.40106 hours remaining, 237.343750 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: 1146000 3981.7966 20584.5178 14495.0096 266.7666 -202919.7959 2577.3343 0.0000 0.0000 51918.6287 -109095.7423 298.3771 -161014.3710 -108736.4296 299.9390 -145.6839 -122.8637 763565.7017 -7.2806 -7.3209 PRESSURE: 1146200 -296.318 -33.8251 55.8384 -33.8252 -646.829 259.452 55.8391 259.452 -498.81 GPRESSURE: 1146200 -243.176 -50.4059 -4.53696 92.0547 -576.527 223.089 114.418 198.451 -540.698 PRESSAVG: 1146200 15.8906 50.4646 -10.7075 50.4646 -8.06532 -50.0059 -10.7075 -50.0059 3.81281 GPRESSAVG: 1146200 16.6171 50.2535 -8.19241 49.2894 -7.5702 -51.0775 -10.8852 -49.0682 2.94514 TIMING: 1146200 CPU: 3629.77, 0.00318765/step Wall: 3629.77, 0.00318765/step, 3.41238 hours remaining, 237.343750 MB of memory in use. ENERGY: 1146200 3976.5487 20597.7391 14548.8385 238.6352 -203158.6287 2291.5722 0.0000 0.0000 52225.3394 -109279.9557 300.1397 -161505.2951 -108912.1646 299.3758 -480.6522 -453.4669 763710.6134 3.8794 3.9973 PRESSURE: 1146400 -75.8864 -3.6275 -160.116 -3.62633 -11.2358 -247.442 -160.116 -247.442 486.297 GPRESSURE: 1146400 -62.9569 -43.6146 -151.653 -38.3057 71.3128 -220.886 -252.543 -289.641 492.803 PRESSAVG: 1146400 34.9126 67.0392 -21.55 67.0392 -29.3303 -34.2482 -21.5499 -34.2483 -34.5467 GPRESSAVG: 1146400 34.4613 67.179 -23.5926 66.4836 -29.9246 -34.1218 -22.065 -33.981 -33.7337 TIMING: 1146400 CPU: 3630.4, 0.00316996/step Wall: 3630.4, 0.00316996/step, 3.39327 hours remaining, 237.343750 MB of memory in use. ENERGY: 1146400 3965.8164 20514.1435 14509.3641 267.5285 -203346.9275 2636.5939 0.0000 0.0000 52250.5748 -109202.9065 300.2848 -161453.4813 -108826.4488 299.4751 133.0584 167.0529 760647.4631 -9.6548 -9.7323 PRESSURE: 1146600 -195.179 187.781 -64.3505 187.781 -113.894 225.189 -64.3499 225.189 39.3941 GPRESSURE: 1146600 -82.2193 80.3948 -78.4008 170.002 -147.274 296.847 15.3057 20.1163 45.1162 PRESSAVG: 1146600 -5.01313 44.6786 -35.5365 44.6786 -11.5922 -38.7879 -35.5366 -38.7879 32.2453 GPRESSAVG: 1146600 -3.85227 44.6702 -34.5607 45.4227 -10.8507 -38.6749 -34.1104 -38.6273 30.532 TIMING: 1146600 CPU: 3631.04, 0.00318379/step Wall: 3631.04, 0.00318379/step, 3.4079 hours remaining, 237.343750 MB of memory in use. ENERGY: 1146600 4075.7213 20780.1378 14456.4062 219.7163 -203481.4384 2559.8487 0.0000 0.0000 52357.5285 -109032.0795 300.8994 -161389.6080 -108656.2255 299.8084 -89.8929 -61.4589 760361.5571 5.2133 5.2764 PRESSURE: 1146800 54.0681 -176.959 -251.441 -176.96 -8.57864 -214.969 -251.441 -214.968 33.8374 GPRESSURE: 1146800 64.4878 0.161896 -248.577 -182.21 63.8144 -229.133 -300.698 -290.614 42.3702 PRESSAVG: 1146800 -19.4209 80.9739 1.56773 80.9739 -17.3185 -17.5656 1.56775 -17.5656 12.5933 GPRESSAVG: 1146800 -20.3595 80.16 1.0769 81.7829 -16.9901 -17.2187 -0.310369 -16.5495 13.2175 TIMING: 1146800 CPU: 3631.68, 0.00318067/step Wall: 3631.68, 0.00318067/step, 3.40438 hours remaining, 237.343750 MB of memory in use. ENERGY: 1146800 4063.4705 20695.4983 14537.7590 258.9005 -203256.4347 2566.4143 0.0000 0.0000 52396.9897 -108737.4023 301.1262 -161134.3921 -108373.1817 300.5693 26.4423 56.8908 761020.9306 -8.0487 -8.0440 PRESSURE: 1147000 14.5875 -93.1047 94.8201 -93.1048 77.5888 -81.214 94.8217 -81.214 -74.5263 GPRESSURE: 1147000 169.143 -97.993 164.185 -64.4625 -38.4713 27.4012 184.435 -104.935 -36.9863 PRESSAVG: 1147000 -26.1531 -63.2542 -31.5028 -63.2542 -9.97507 -30.6971 -31.5028 -30.697 -0.84868 GPRESSAVG: 1147000 -25.1197 -61.9 -29.743 -61.1849 -10.7809 -29.157 -28.5138 -31.5244 -0.894536 TIMING: 1147000 CPU: 3632.31, 0.00317545/step Wall: 3632.31, 0.00317545/step, 3.39861 hours remaining, 237.343750 MB of memory in use. ENERGY: 1147000 4048.2878 20633.7787 14572.9774 255.6836 -203533.2938 2735.7140 0.0000 0.0000 52314.8992 -108971.9531 300.6544 -161286.8522 -108603.0418 300.3759 5.8833 31.2285 762998.5741 -12.3256 -12.2650 PRESSURE: 1147200 -197.563 -17.1648 116.192 -17.1649 -218.694 -35.1067 116.192 -35.1072 -105.92 GPRESSURE: 1147200 -179.391 -48.2776 65.8442 -129.134 -211.517 -11.6133 1.89445 16.1991 -59.0093 PRESSAVG: 1147200 11.0425 -29.0724 7.97179 -29.0724 19.7775 -16.7166 7.9718 -16.7167 -1.2864 GPRESSAVG: 1147200 10.7999 -27.4341 7.24467 -31.0458 20.2509 -17.2008 7.33242 -17.1984 -1.21996 TIMING: 1147200 CPU: 3632.94, 0.00315882/step Wall: 3632.94, 0.00315882/step, 3.38064 hours remaining, 237.343750 MB of memory in use. ENERGY: 1147200 3953.3626 20726.5835 14507.0606 247.9877 -203021.4475 2491.5116 0.0000 0.0000 51917.9589 -109176.9825 298.3732 -161094.9414 -108808.8334 300.5365 -174.0589 -149.9724 764671.1072 9.8445 9.9436 PRESSURE: 1147400 111.791 -14.4767 62.1817 -14.4765 -200.615 56.5835 62.1812 56.5851 50.6476 GPRESSURE: 1147400 119.524 -0.457697 -7.29157 -5.43423 -179.113 83.9744 140.547 115.402 77.2088 PRESSAVG: 1147400 30.6968 34.7217 -1.5784 34.7217 15.6123 -18.6441 -1.57842 -18.644 -13.7158 GPRESSAVG: 1147400 31.7543 34.1366 -3.1706 34.1548 13.6499 -19.6467 -2.38141 -16.4771 -13.0134 TIMING: 1147400 CPU: 3633.58, 0.00318278/step Wall: 3633.58, 0.00318278/step, 3.4061 hours remaining, 237.343750 MB of memory in use. ENERGY: 1147400 4041.6741 20652.6212 14502.4333 237.9480 -203455.7545 2926.6117 0.0000 0.0000 52127.9837 -108966.4825 299.5802 -161094.4662 -108613.4308 300.4223 -12.7254 5.8734 763133.2403 10.8644 10.7969 PRESSURE: 1147600 -127.085 -177.093 -17.553 -177.094 159.646 -197.831 -17.5526 -197.83 -201.839 GPRESSURE: 1147600 19.0788 -176.054 -44.3774 -65.2647 109.007 -133.264 82.1941 -241.53 -205.751 PRESSAVG: 1147600 21.6156 -62.0846 -47.6154 -62.0846 23.5768 31.0038 -47.6154 31.0038 -6.77914 GPRESSAVG: 1147600 22.3796 -62.6263 -46.5264 -59.6137 24.4286 30.8127 -49.7404 28.4574 -7.75667 TIMING: 1147600 CPU: 3634.21, 0.00317012/step Wall: 3634.21, 0.00317012/step, 3.39238 hours remaining, 237.343750 MB of memory in use. ENERGY: 1147600 4077.6856 20665.1255 14563.1222 244.5383 -203431.8103 2589.2412 0.0000 0.0000 52199.9383 -109092.1592 299.9938 -161292.0975 -108720.0070 300.4604 -56.4259 -25.8882 761426.5980 12.8044 13.0172 PRESSURE: 1147800 -323.926 67.0781 -5.74257 67.0773 -134.029 -66.6645 -5.74265 -66.665 -225.639 GPRESSURE: 1147800 -244.886 135.852 22.8159 148.074 -105.868 -30.2855 70.9278 -173.107 -245.65 PRESSAVG: 1147800 37.0059 -7.53048 -56.1187 -7.53054 -47.1578 -8.44967 -56.1187 -8.44968 -4.55394 GPRESSAVG: 1147800 36.9981 -9.05849 -58.8281 -6.64518 -47.6505 -5.79425 -53.1464 -8.94239 -3.81467 TIMING: 1147800 CPU: 3634.85, 0.00316759/step Wall: 3634.85, 0.00316759/step, 3.38949 hours remaining, 237.343750 MB of memory in use. ENERGY: 1147800 3966.0260 20517.1241 14494.7081 236.0010 -203026.2472 2453.5268 0.0000 0.0000 52215.7229 -109143.1383 300.0845 -161358.8612 -108772.8547 299.9425 -227.8644 -198.8013 762995.1027 -4.9020 -4.8224 PRESSURE: 1148000 -293.28 -215.603 -224.731 -215.602 103.846 -43.3024 -224.73 -43.3014 -474.516 GPRESSURE: 1148000 -222.504 -156.254 -197.904 -96.8489 108.043 11.7123 -266.031 -56.871 -475.945 PRESSAVG: 1148000 -2.76154 53.8569 -47.1763 53.8569 -26.2984 10.0918 -47.1763 10.0918 -18.7486 GPRESSAVG: 1148000 -2.85602 53.522 -43.6912 52.6391 -26.5117 6.6195 -48.9766 11.3187 -18.942 TIMING: 1148000 CPU: 3635.48, 0.00315812/step Wall: 3635.48, 0.00315812/step, 3.37919 hours remaining, 237.343750 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: 1148000 4038.1353 20571.2862 14466.5143 279.3300 -203464.2493 2548.8549 0.0000 0.0000 52307.9792 -109252.1494 300.6147 -161560.1286 -108890.6349 299.5486 -221.3165 -196.8019 760327.1044 -15.9362 -16.1032 PRESSURE: 1148200 63.692 -129.995 133.486 -129.994 5.48424 69.1994 133.486 69.1993 93.2682 GPRESSURE: 1148200 59.8026 21.1926 90.0651 -12.2808 123.255 97.7502 39.9308 44.704 69.01 PRESSAVG: 1148200 12.2709 -12.5907 -17.8066 -12.5907 -15.4757 5.36241 -17.8067 5.36248 31.984 GPRESSAVG: 1148200 11.3262 -12.0357 -19.3717 -13.4659 -14.0991 6.78884 -17.339 4.60317 31.7073 TIMING: 1148200 CPU: 3636.11, 0.00317762/step Wall: 3636.11, 0.00317762/step, 3.39988 hours remaining, 237.343750 MB of memory in use. ENERGY: 1148200 4023.7905 20565.2377 14467.3050 266.2314 -203137.5045 2364.6319 0.0000 0.0000 52222.3047 -109228.0034 300.1223 -161450.3081 -108853.6371 300.4189 54.1481 84.0224 759788.3675 9.5930 9.6448 LDB: ============= START OF LOAD BALANCING ============== 3648.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3648.57 LDB: =============== DONE WITH MIGRATION ================ 3648.57 LDB: ============= START OF LOAD BALANCING ============== 3648.89 LDB: Largest compute 7032 load 0.035330 is 18.1% of average load 0.195114 LDB: Average compute 0.004410 is 2.3% of average load 0.195114 LDB: TIME 3648.89 LOAD: AVG 0.195114 MAX 0.216823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.625 MB LDB: TIME 3648.89 LOAD: AVG 0.195114 MAX 0.216823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.625 MB LDB: TIME 3648.89 LOAD: AVG 0.195114 MAX 0.216823 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.625 MB LDB: ============== END OF LOAD BALANCING =============== 3648.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3648.9 PRESSURE: 1148400 63.4474 170.334 154.994 170.334 43.3682 -228.674 154.995 -228.673 -36.7096 GPRESSURE: 1148400 183.856 182.673 163.861 91.9356 -19.1608 -146.045 39.7774 -143.374 -23.6681 PRESSAVG: 1148400 29.4149 46.7461 -8.73308 46.7461 3.45955 -10.7343 -8.73307 -10.7343 5.41301 GPRESSAVG: 1148400 30.4102 45.9437 -6.76526 48.6638 3.19084 -10.9223 -9.63676 -9.72397 4.37981 TIMING: 1148400 CPU: 3636.76, 0.00324204/step Wall: 3636.76, 0.00324204/step, 3.46862 hours remaining, 238.167969 MB of memory in use. ENERGY: 1148400 4032.7528 20604.0779 14504.2014 237.1636 -203082.0660 2536.5227 0.0000 0.0000 52127.8342 -109039.5134 299.5794 -161167.3476 -108686.5077 300.1695 23.3687 47.0088 760797.5065 12.7625 12.6603 PRESSURE: 1148600 -344.461 -194.75 -72.3721 -194.749 -131.137 71.5058 -72.3716 71.5058 -405.073 GPRESSURE: 1148600 -204.905 -186.376 -91.8986 -119.811 -168.241 75.4722 -34.2219 -97.7318 -438.957 PRESSAVG: 1148600 -12.0487 23.3485 -1.9407 23.3485 1.37586 2.36701 -1.94072 2.36702 11.752 GPRESSAVG: 1148600 -11.7575 23.9036 -3.46873 22.778 0.363801 3.56036 -1.0543 0.211167 12.2654 TIMING: 1148600 CPU: 3637.4, 0.00317665/step Wall: 3637.4, 0.00317665/step, 3.39849 hours remaining, 238.441406 MB of memory in use. ENERGY: 1148600 4116.9343 20636.4121 14498.9947 262.2716 -202933.3905 2151.6143 0.0000 0.0000 52213.1902 -109053.9734 300.0699 -161267.1635 -108691.5088 300.1402 -293.5572 -270.7009 760699.0903 0.3597 0.2906 PRESSURE: 1148800 368.739 -207.226 11.1656 -207.226 63.248 181.935 11.1655 181.936 -159.884 GPRESSURE: 1148800 241.209 -294.104 4.71138 -233.835 178.358 36.6814 -32.0813 221.556 -77.997 PRESSAVG: 1148800 24.684 8.5076 -12.6058 8.50762 -16.6526 69.3375 -12.6058 69.3374 12.216 GPRESSAVG: 1148800 23.8424 9.25214 -12.0295 5.6021 -16.6753 67.2515 -11.4494 69.9383 13.2834 TIMING: 1148800 CPU: 3638.03, 0.00317884/step Wall: 3638.03, 0.00317884/step, 3.40065 hours remaining, 238.441406 MB of memory in use. ENERGY: 1148800 4047.8775 20850.2355 14535.0748 231.5529 -203274.8455 2414.0060 0.0000 0.0000 52219.4169 -108976.6819 300.1057 -161196.0988 -108608.0882 300.7690 90.7012 113.8568 760210.0815 6.7491 6.8168 PRESSURE: 1149000 -239.631 -223.058 270.974 -223.058 126.758 -100.646 270.974 -100.647 -188.813 GPRESSURE: 1149000 -180.36 -195.699 213.329 -308.223 95.3441 -137.241 217.297 -68.2012 -126.87 PRESSAVG: 1149000 -10.1071 34.2745 -13.6162 34.2745 3.15123 -2.92581 -13.6162 -2.9259 -5.75509 GPRESSAVG: 1149000 -10.1028 32.2199 -15.0476 35.7974 4.04822 -2.51586 -15.751 -1.8071 -6.32608 TIMING: 1149000 CPU: 3638.67, 0.00318342/step Wall: 3638.67, 0.00318342/step, 3.40538 hours remaining, 238.441406 MB of memory in use. ENERGY: 1149000 3968.7443 20687.0257 14513.2409 256.3001 -203340.9136 2464.2919 0.0000 0.0000 52265.0775 -109186.2331 300.3681 -161451.3106 -108829.0294 300.0878 -100.5622 -70.6286 761109.6213 -4.2370 -4.1269 PRESSURE: 1149200 55.0974 -53.8177 -262.912 -53.818 -46.3219 -151.82 -262.912 -151.821 54.7932 GPRESSURE: 1149200 142.017 -22.6339 -149.624 -95.7988 -1.34293 -73.5137 -310.315 -25.6693 7.90609 PRESSAVG: 1149200 12.892 -9.01446 -4.42839 -9.01444 22.0994 35.1951 -4.4284 35.1951 -18.8528 GPRESSAVG: 1149200 12.726 -5.70308 -4.47349 -9.45223 21.704 35.3698 -2.7482 35.5073 -18.1832 TIMING: 1149200 CPU: 3639.31, 0.00317476/step Wall: 3639.31, 0.00317476/step, 3.39593 hours remaining, 238.441406 MB of memory in use. ENERGY: 1149200 4040.8542 20357.6835 14513.2953 248.6011 -203289.8883 2711.8252 0.0000 0.0000 52036.4918 -109381.1373 299.0544 -161417.6291 -109025.9733 299.5116 21.1896 49.5269 763025.8911 5.3795 5.4156 PRESSURE: 1149400 -173.174 8.06643 193.18 8.06705 -71.0653 -41.1922 193.181 -41.1927 -73.2937 GPRESSURE: 1149400 -111.855 50.4797 175.187 -51.43 -4.79623 -31.1204 225.327 64.703 -111.343 PRESSAVG: 1149400 61.4597 16.2539 -46.0852 16.2539 -70.4503 23.216 -46.0852 23.2162 -22.8434 GPRESSAVG: 1149400 61.9202 16.4566 -45.5593 15.5075 -70.5761 24.3714 -45.3025 21.4735 -22.5106 TIMING: 1149400 CPU: 3639.94, 0.00319744/step Wall: 3639.94, 0.00319744/step, 3.42002 hours remaining, 238.441406 MB of memory in use. ENERGY: 1149400 3990.7740 20501.9264 14440.1036 249.9293 -203536.5091 2844.5275 0.0000 0.0000 52072.7583 -109436.4900 299.2629 -161509.2483 -109088.4060 298.8495 -105.8442 -75.9981 762082.9452 -10.6113 -10.3888 PRESSURE: 1149600 -408.635 23.3068 -37.9342 23.3057 -396.483 157.873 -37.9338 157.874 199.02 GPRESSURE: 1149600 -413.088 62.5957 14.1572 71.1801 -315.023 51.3249 -90.2708 224.124 220 PRESSAVG: 1149600 -25.631 -15.9304 -36.789 -15.9304 -11.4001 19.869 -36.789 19.869 1.87216 GPRESSAVG: 1149600 -27.9232 -18.329 -34.644 -12.8829 -8.63579 19.3021 -41.5086 20.4386 1.74941 TIMING: 1149600 CPU: 3640.58, 0.00317764/step Wall: 3640.58, 0.00317764/step, 3.39866 hours remaining, 238.441406 MB of memory in use. ENERGY: 1149600 4019.6163 20594.9064 14422.2783 253.1179 -202758.3876 2250.3633 0.0000 0.0000 51919.9752 -109298.1303 298.3848 -161218.1054 -108938.0002 299.3677 -202.0326 -169.3702 761510.8216 -11.7196 -11.6032 PRESSURE: 1149800 -125.411 -163.614 -41.3922 -163.615 -82.386 -199.968 -41.3912 -199.968 -53.4352 GPRESSURE: 1149800 -38.7918 -129.336 -148.484 -154.273 -71.4559 -153.241 35.6194 -164.571 -76.7762 PRESSAVG: 1149800 -13.1752 -2.1948 37.5492 -2.19472 60.242 15.5809 37.5493 15.5809 12.0343 GPRESSAVG: 1149800 -11.2454 0.264516 34.4941 -3.38652 59.4908 14.243 40.5186 16.6132 11.019 TIMING: 1149800 CPU: 3641.21, 0.00316786/step Wall: 3641.21, 0.00316786/step, 3.38803 hours remaining, 238.441406 MB of memory in use. ENERGY: 1149800 4028.5656 20725.0713 14431.5359 250.8751 -203281.4730 2523.7274 0.0000 0.0000 52168.0495 -109153.6483 299.8105 -161321.6977 -108795.3829 299.8973 -87.0773 -62.3413 761849.1979 19.7003 19.7548 PRESSURE: 1150000 -56.8899 34.0492 3.64777 34.049 -137.984 49.395 3.64816 49.3959 -236.941 GPRESSURE: 1150000 -132.516 62.9451 -24.4931 -53.4769 -41.1585 35.3526 140.838 -131.293 -177.338 PRESSAVG: 1150000 22.3064 24.9638 30.8009 24.9638 11.7591 -2.30706 30.8008 -2.30714 3.76186 GPRESSAVG: 1150000 21.8644 25.4808 30.8743 23.6152 11.9941 -1.13731 34.0491 -3.99922 4.0705 TIMING: 1150000 CPU: 3641.85, 0.00317495/step Wall: 3641.85, 0.00317495/step, 3.39544 hours remaining, 238.441406 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: 1150000 4073.3894 20739.6901 14527.9706 254.4332 -202912.2184 2238.9263 0.0000 0.0000 51957.1600 -109120.6488 298.5985 -161077.8087 -108756.4987 300.0487 -143.9385 -117.0042 762708.1328 12.6091 12.6430 PRESSURE: 1150200 -274.597 -30.7931 189.908 -30.7933 -157.078 1.09595 189.908 1.09581 -407.956 GPRESSURE: 1150200 -264.652 38.5246 135.596 -7.1997 -80.1287 38.3427 72.2453 66.5566 -401.672 PRESSAVG: 1150200 -36.1334 -24.5008 -2.29715 -24.5007 -9.18449 53.9079 -2.29714 53.9079 -11.635 GPRESSAVG: 1150200 -37.7423 -23.9182 -1.82558 -25.6758 -7.76865 54.5594 -5.02469 54.7983 -11.3954 TIMING: 1150200 CPU: 3642.48, 0.00316509/step Wall: 3642.48, 0.00316509/step, 3.38471 hours remaining, 238.441406 MB of memory in use. ENERGY: 1150200 4020.9608 20647.7067 14433.2151 236.3025 -203509.4130 2634.5961 0.0000 0.0000 52142.9302 -109393.7015 299.6661 -161536.6317 -109029.7628 299.4719 -279.8770 -248.8175 760968.4872 -18.9843 -18.9688 PRESSURE: 1150400 -180.764 53.6476 69.1765 53.648 17.3952 -179.38 69.176 -179.379 185.049 GPRESSURE: 1150400 -59.8882 56.8068 45.2358 -114.302 -48.3755 -139.725 20.1734 -204.29 213.03 PRESSAVG: 1150400 -25.7435 -28.4296 0.696132 -28.4296 42.3757 57.5382 0.696149 57.5381 5.52373 GPRESSAVG: 1150400 -24.2228 -30.2345 1.35595 -26.9279 41.4637 55.6978 1.01275 58.1158 4.70074 TIMING: 1150400 CPU: 3643.12, 0.00316935/step Wall: 3643.12, 0.00316935/step, 3.38909 hours remaining, 238.441406 MB of memory in use. ENERGY: 1150400 3989.3237 20603.3080 14545.8000 251.3054 -203650.9053 2733.5058 0.0000 0.0000 52243.7247 -109283.9376 300.2454 -161527.6624 -108910.0156 299.6589 7.2266 34.9220 762557.2095 7.3853 7.3139 PRESSURE: 1150600 -22.2426 82.6381 149.035 82.6375 7.99192 38.474 149.034 38.4743 84.383 GPRESSURE: 1150600 41.3843 58.2601 102.711 109.52 51.0576 21.3809 85.8186 -78.628 59.0248 PRESSAVG: 1150600 39.2325 37.8175 74.1623 37.8176 -42.2988 28.7275 74.1623 28.7275 -7.58022 GPRESSAVG: 1150600 39.0975 37.8659 74.2871 38.2915 -42.4087 30.7326 74.0591 27.8415 -7.3212 TIMING: 1150600 CPU: 3643.75, 0.00316206/step Wall: 3643.75, 0.00316206/step, 3.38112 hours remaining, 238.441406 MB of memory in use. ENERGY: 1150600 4084.1723 20724.7505 14435.0979 260.1254 -203426.4854 2788.0511 0.0000 0.0000 52079.3110 -109054.9772 299.3005 -161134.2882 -108706.9219 299.3483 23.3775 50.4889 761826.7102 -3.5489 -3.5441 PRESSURE: 1150800 3.91832 186.476 -127.535 186.476 -359.565 61.3307 -127.535 61.3319 272.701 GPRESSURE: 1150800 114.452 192.097 -155.965 176.342 -417.843 97.2837 77.7676 132.047 298.262 PRESSAVG: 1150800 53.965 24.6009 33.8349 24.6009 -45.586 -41.9561 33.8349 -41.9561 7.31373 GPRESSAVG: 1150800 55.7253 23.5438 32.6079 26.6326 -46.0465 -43.0367 33.3145 -42.5642 6.8009 TIMING: 1150800 CPU: 3644.38, 0.00317608/step Wall: 3644.38, 0.00317608/step, 3.39593 hours remaining, 238.441406 MB of memory in use. ENERGY: 1150800 3987.6782 20434.3061 14512.7755 260.6817 -202967.9327 2335.3654 0.0000 0.0000 52116.6787 -109320.4471 299.5153 -161437.1258 -108953.0247 299.8082 -27.6484 -1.7096 761767.6838 5.2309 5.4932 PRESSURE: 1151000 -133.823 -207.981 161.27 -207.981 157.257 44.7358 161.271 44.7351 -106.628 GPRESSURE: 1151000 50.5658 -238.521 102.122 -152.75 90.0012 82.0437 201.92 51.2111 -147.409 PRESSAVG: 1151000 -2.99775 -26.7599 -5.2129 -26.76 7.47018 52.4563 -5.21282 52.4563 -1.70104 GPRESSAVG: 1151000 -3.85429 -27.6715 -4.78526 -30.4228 7.08204 54.8415 -3.81047 54.7113 -0.881497 TIMING: 1151000 CPU: 3645.02, 0.00318367/step Wall: 3645.02, 0.00318367/step, 3.40387 hours remaining, 238.441406 MB of memory in use. ENERGY: 1151000 4022.3690 20584.0757 14517.5349 247.8972 -203454.5007 2597.5608 0.0000 0.0000 51960.4144 -109524.6488 298.6172 -161485.0631 -109153.1873 298.8755 -27.7313 -2.2807 761399.5977 0.9238 0.7821 PRESSURE: 1151200 187.695 112.774 -61.6178 112.775 96.8372 96.9657 -61.6178 96.9656 -504.28 GPRESSURE: 1151200 73.2144 -31.676 -58.747 186.551 182.512 104.61 -80.7082 26.6683 -391.374 PRESSAVG: 1151200 4.85067 -101.194 -1.89787 -101.194 49.9833 12.5009 -1.89781 12.501 -28.1812 GPRESSAVG: 1151200 3.09242 -98.7508 -1.57025 -99.6465 50.1259 9.84417 -3.442 13.1711 -26.6724 TIMING: 1151200 CPU: 3645.65, 0.00316536/step Wall: 3645.65, 0.00316536/step, 3.38412 hours remaining, 238.441406 MB of memory in use. ENERGY: 1151200 3982.9678 20556.8124 14504.4194 238.9738 -203426.9500 2488.5993 0.0000 0.0000 52037.4435 -109617.7338 299.0599 -161655.1773 -109256.4426 298.6840 -73.2491 -45.2160 760565.3702 8.8842 8.8487 PRESSURE: 1151400 -159.944 -82.9279 152.512 -82.928 110.251 7.03937 152.512 7.03965 204.859 GPRESSURE: 1151400 -121.184 -31.5672 97.3204 38.3433 147.28 31.3876 167.8 37.5885 199.994 PRESSAVG: 1151400 -26.2769 -14.0489 -15.2071 -14.0489 22.1111 23.5812 -15.207 23.5811 -14.9403 GPRESSAVG: 1151400 -23.8334 -13.6416 -15.3162 -13.7835 21.095 24.8435 -15.5763 22.3243 -16.8692 TIMING: 1151400 CPU: 3646.29, 0.00317639/step Wall: 3646.29, 0.00317639/step, 3.39573 hours remaining, 238.441406 MB of memory in use. ENERGY: 1151400 3969.2680 20551.9239 14465.4306 249.2664 -203715.5149 2718.4483 0.0000 0.0000 52281.2044 -109479.9733 300.4608 -161761.1777 -109119.1586 298.8424 51.7220 75.3634 761539.1681 -6.3687 -6.5359 PRESSURE: 1151600 -144.662 -262.235 127.739 -262.235 -171.33 127.445 127.739 127.446 -367.511 GPRESSURE: 1151600 -74.5946 -173.172 47.1283 -302.68 -119.796 64.1168 184.222 88.3544 -393.294 PRESSAVG: 1151600 30.3117 -57.4723 -28.6345 -57.4722 -27.1059 0.536819 -28.6345 0.536832 -8.6978 GPRESSAVG: 1151600 28.6698 -59.6779 -28.9771 -56.4065 -25.4871 1.12374 -26.6266 -1.23735 -8.6995 TIMING: 1151600 CPU: 3646.93, 0.00318931/step Wall: 3646.93, 0.00318931/step, 3.40938 hours remaining, 238.441406 MB of memory in use. ENERGY: 1151600 4009.1582 20474.8541 14523.0632 251.0595 -203218.4382 2495.2372 0.0000 0.0000 52047.2587 -109417.8073 299.1163 -161465.0660 -109047.8176 298.7021 -227.8343 -195.8949 762072.3515 -1.8307 -1.8389 PRESSURE: 1151800 91.2739 -134.183 42.0677 -134.183 -362.433 86.2555 42.067 86.255 -407.497 GPRESSURE: 1151800 76.8012 -212.276 24.9959 -136.46 -320.818 31.4802 -6.82006 40.7074 -372.2 PRESSAVG: 1151800 11.3569 10.5647 34.8463 10.5647 45.0611 -15.346 34.8463 -15.346 12.1424 GPRESSAVG: 1151800 12.3624 11.7494 34.0539 8.63934 43.389 -15.9065 32.8867 -15.9139 12.7878 TIMING: 1151800 CPU: 3647.56, 0.00315682/step Wall: 3647.56, 0.00315682/step, 3.37446 hours remaining, 238.441406 MB of memory in use. ENERGY: 1151800 3965.9809 20512.8359 14557.2060 260.7539 -203320.8347 2441.9350 0.0000 0.0000 52056.3256 -109525.7974 299.1684 -161582.1229 -109164.7101 298.6735 -226.2187 -205.4055 761378.1280 22.8535 22.8464 PRESSURE: 1152000 238.105 -132.835 91.976 -132.834 203.748 53.8604 91.9762 53.8604 337.162 GPRESSURE: 1152000 236.946 -59.2526 83.9104 -125.714 252.533 96.7267 160.895 28.3955 384.867 PRESSAVG: 1152000 21.587 -29.7919 34.309 -29.7919 -46.4426 -9.63754 34.309 -9.63743 -13.6591 GPRESSAVG: 1152000 20.199 -28.7369 35.5819 -27.7989 -45.7131 -8.77104 34.7146 -8.90917 -12.4275 TIMING: 1152000 CPU: 3648.19, 0.00317083/step Wall: 3648.19, 0.00317083/step, 3.38927 hours remaining, 238.441406 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: 1152000 3945.0861 20636.5590 14488.9172 243.8291 -203626.0886 2632.4983 0.0000 0.0000 52007.5106 -109671.6883 298.8879 -161679.1988 -109305.8230 298.6933 259.6713 291.4486 762511.8780 -12.8382 -12.6472 PRESSURE: 1152200 338.722 -106.469 274.424 -106.469 242.212 -226.072 274.424 -226.072 29.705 GPRESSURE: 1152200 340.318 -95.4816 253.066 -14.3921 282.041 -255.129 109.199 -58.2204 72.7053 PRESSAVG: 1152200 45.9481 -37.395 9.65114 -37.3949 -22.258 -57.378 9.65109 -57.3779 -0.0547075 GPRESSAVG: 1152200 46.5134 -39.0429 9.53125 -37.0253 -20.9369 -58.2819 7.96927 -54.7024 -2.03134 TIMING: 1152200 CPU: 3648.83, 0.00317668/step Wall: 3648.83, 0.00317668/step, 3.39534 hours remaining, 238.441406 MB of memory in use. ENERGY: 1152200 3940.8329 20617.0597 14539.8690 239.9619 -203917.1793 3029.5512 0.0000 0.0000 52135.1785 -109414.7263 299.6216 -161549.9047 -109059.4031 299.3766 203.5464 231.6884 761060.0552 7.8785 7.8484 LDB: ============= START OF LOAD BALANCING ============== 3661.28 LDB: ============== END OF LOAD BALANCING =============== 3661.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3661.28 LDB: ============= START OF LOAD BALANCING ============== 3661.6 LDB: Largest compute 7069 load 0.036417 is 18.7% of average load 0.195070 LDB: Average compute 0.004435 is 2.3% of average load 0.195070 LDB: TIME 3661.61 LOAD: AVG 0.19507 MAX 0.217882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.844 MB LDB: TIME 3661.61 LOAD: AVG 0.19507 MAX 0.217882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: TIME 3661.61 LOAD: AVG 0.19507 MAX 0.217586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.047 MB LDB: ============== END OF LOAD BALANCING =============== 3661.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3661.61 PRESSURE: 1152400 -122.768 -80.7545 66.5049 -80.7539 85.7124 -37.52 66.5042 -37.5202 -197.04 GPRESSURE: 1152400 -67.246 55.5255 4.61502 -241.163 80.3055 4.97632 71.2542 -113.97 -167.306 PRESSAVG: 1152400 48.2442 -23.5087 30.2685 -23.5087 -36.9372 4.43576 30.2684 4.43579 13.019 GPRESSAVG: 1152400 47.7813 -21.8886 29.8698 -23.7863 -37.3924 5.54189 30.7248 3.08445 13.83 TIMING: 1152400 CPU: 3649.48, 0.00325156/step Wall: 3649.48, 0.00325156/step, 3.47519 hours remaining, 238.683594 MB of memory in use. ENERGY: 1152400 4010.5613 20528.0030 14479.9269 224.9160 -203126.8544 2449.4440 0.0000 0.0000 52014.5112 -109419.4920 298.9281 -161434.0032 -109063.5712 299.6076 -78.0320 -51.4155 760943.2183 8.1087 8.0729 PRESSURE: 1152600 -113.611 303.166 -89.7098 303.166 -333.14 79.8512 -89.7102 79.8513 -176.887 GPRESSURE: 1152600 -80.2034 145.147 -143.436 265.726 -301.945 61.4935 -41.5264 78.1514 -157.098 PRESSAVG: 1152600 73.8405 15.9281 34.3473 15.9281 -28.7722 24.6086 34.3473 24.6086 -13.2504 GPRESSAVG: 1152600 74.6584 14.851 34.1946 16.0863 -29.3468 22.7161 33.9179 26.6396 -13.4038 TIMING: 1152600 CPU: 3650.11, 0.00317824/step Wall: 3650.11, 0.00317824/step, 3.39666 hours remaining, 238.683594 MB of memory in use. ENERGY: 1152600 3953.6574 20641.6638 14414.5914 249.5996 -203205.4305 2426.4492 0.0000 0.0000 52049.0167 -109470.4524 299.1264 -161519.4692 -109113.2104 299.0625 -207.8796 -179.7488 762681.9369 10.6060 10.6359 PRESSURE: 1152800 -109.54 -70.1221 -39.3006 -70.1223 -72.4387 88.9178 -39.3007 88.9176 -226.516 GPRESSURE: 1152800 -123.927 -82.0831 -36.295 -63.1948 0.588183 -2.13912 52.6769 37.91 -209.274 PRESSAVG: 1152800 45.3589 -11.7537 -13.8087 -11.7537 -56.477 24.2471 -13.8087 24.247 1.48252 GPRESSAVG: 1152800 44.696 -10.4709 -14.0011 -13.1306 -56.9541 24.8439 -13.1349 22.0493 2.30064 TIMING: 1152800 CPU: 3650.75, 0.00318461/step Wall: 3650.75, 0.00318461/step, 3.40329 hours remaining, 238.683594 MB of memory in use. ENERGY: 1152800 3960.3625 20497.2946 14406.9773 241.6485 -203988.0901 2938.7999 0.0000 0.0000 52232.1227 -109710.8846 300.1787 -161943.0073 -109355.5885 299.2028 -136.1648 -110.8709 761388.6632 -3.2118 -3.3192 PRESSURE: 1153000 -20.52 -97.5757 -93.5764 -97.5746 -286.244 20.6087 -93.5755 20.6089 -342.405 GPRESSURE: 1153000 -51.988 -111.913 -62.4691 -205.802 -261.467 48.581 -185.948 146.717 -243.829 PRESSAVG: 1153000 34.6844 -27.2968 -68.5021 -27.2969 -42.2018 7.08917 -68.5022 7.08914 -12.3398 GPRESSAVG: 1153000 34.4281 -28.2024 -67.3509 -26.2536 -42.7351 8.30407 -69.5691 8.85185 -11.7769 TIMING: 1153000 CPU: 3651.39, 0.00318572/step Wall: 3651.39, 0.00318572/step, 3.4043 hours remaining, 238.683594 MB of memory in use. ENERGY: 1153000 3984.5415 20486.4897 14511.6105 251.3499 -203339.8643 2662.1305 0.0000 0.0000 51675.8524 -109767.8897 296.9818 -161443.7421 -109417.2183 298.6843 -216.3895 -185.7614 761436.1448 -6.6191 -6.6946 PRESSURE: 1153200 73.334 -266.282 225.433 -266.283 -76.1099 18.0791 225.434 18.0791 -222.904 GPRESSURE: 1153200 7.76037 -301.056 304.522 -233.751 9.32697 -5.31859 83.3473 -39.3002 -161.941 PRESSAVG: 1153200 41.9082 -51.4488 -9.45824 -51.4488 -36.7595 14.8109 -9.45818 14.811 -8.09241 GPRESSAVG: 1153200 42.3267 -50.3233 -10.4266 -52.2545 -36.7873 14.6674 -9.49104 13.4021 -8.93765 TIMING: 1153200 CPU: 3652.03, 0.00319083/step Wall: 3652.03, 0.00319083/step, 3.40958 hours remaining, 238.683594 MB of memory in use. ENERGY: 1153200 3904.6454 20620.8923 14441.9213 243.6181 -203999.7534 2990.7187 0.0000 0.0000 51928.2528 -109869.7048 298.4324 -161797.9576 -109511.2867 298.9469 -75.2267 -48.2846 761657.3135 -0.9812 -1.1327 PRESSURE: 1153400 -185.72 76.92 -118.77 76.9191 -273.974 -131.482 -118.77 -131.481 -174.767 GPRESSURE: 1153400 -125.142 127.503 -108.225 -37.9344 -234.011 -218.449 -128.589 -210.598 -203.203 PRESSAVG: 1153400 18.5412 -55.2241 -25.9612 -55.2241 -1.5553 -46.0104 -25.9612 -46.0103 1.17817 GPRESSAVG: 1153400 18.3762 -54.9294 -24.8603 -56.6846 -0.889027 -45.558 -24.6764 -48.5072 -0.052891 TIMING: 1153400 CPU: 3652.66, 0.00316667/step Wall: 3652.66, 0.00316667/step, 3.38359 hours remaining, 238.683594 MB of memory in use. ENERGY: 1153400 3912.7442 20417.4085 14520.4047 240.3293 -203705.5252 2656.8154 0.0000 0.0000 52244.6713 -109713.1517 300.2508 -161957.8230 -109347.7973 298.7314 -211.4870 -187.4519 761211.4761 6.0547 5.8114 PRESSURE: 1153600 178.767 -116.768 -27.6855 -116.768 -221.018 -181.743 -27.6854 -181.743 -40.332 GPRESSURE: 1153600 160.04 11.1786 54.2872 -96.2669 -151.19 -171.465 0.364083 22.8151 -1.44834 PRESSAVG: 1153600 16.7032 -56.5838 -68.3951 -56.5838 -16.741 7.47295 -68.3951 7.47296 -13.5908 GPRESSAVG: 1153600 16.7046 -56.4482 -68.5806 -53.9062 -17.577 6.22708 -66.4796 11.8515 -12.8895 TIMING: 1153600 CPU: 3653.3, 0.00318266/step Wall: 3653.3, 0.00318266/step, 3.4005 hours remaining, 238.683594 MB of memory in use. ENERGY: 1153600 3997.9930 20475.6209 14447.2746 258.1976 -203168.2042 2390.2645 0.0000 0.0000 52107.1598 -109491.6939 299.4606 -161598.8537 -109120.7138 299.4109 -27.5279 2.4671 760791.3264 -4.5429 -4.5873 PRESSURE: 1153800 -50.9914 -14.3233 9.2933 -14.324 -234.113 16.3627 9.29292 16.3629 96.4502 GPRESSURE: 1153800 39.7562 19.3015 123.156 -24.3193 -198.332 12.527 -98.6915 18.4943 48.1295 PRESSAVG: 1153800 47.3108 32.8585 -47.4181 32.8586 -85.9781 -13.6807 -47.4181 -13.6806 22.8219 GPRESSAVG: 1153800 47.5469 31.757 -48.2426 34.2762 -86.0594 -12.389 -48.84 -16.2542 22.8163 TIMING: 1153800 CPU: 3653.93, 0.00317409/step Wall: 3653.93, 0.00317409/step, 3.39117 hours remaining, 238.683594 MB of memory in use. ENERGY: 1153800 4041.8367 20549.8548 14483.0231 230.9555 -203011.2506 2384.1062 0.0000 0.0000 52067.8596 -109253.6147 299.2347 -161321.4743 -108901.3718 299.1004 -62.8849 -36.8153 761346.2716 -5.2818 -5.2321 PRESSURE: 1154000 159.748 -163.328 103.943 -163.327 147.967 -48.0422 103.943 -48.0414 429.923 GPRESSURE: 1154000 186.64 -30.7899 160.164 -157.84 97.602 -3.55818 160.992 -17.8345 517.436 PRESSAVG: 1154000 43.8997 -27.0007 -78.4373 -27.0007 -35.0891 -4.82434 -78.4373 -4.82442 4.35527 GPRESSAVG: 1154000 44.062 -23.7659 -79.5314 -28.1381 -36.1078 -4.63717 -78.4113 -5.87714 4.6958 TIMING: 1154000 CPU: 3654.57, 0.0031819/step Wall: 3654.57, 0.0031819/step, 3.39933 hours remaining, 238.683594 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: 1154000 3984.6517 20475.8302 14443.6390 255.7342 -203468.2085 2865.3812 0.0000 0.0000 52000.3619 -109442.6104 298.8468 -161442.9723 -109082.7123 299.2545 245.8796 267.2259 761591.4758 4.3886 4.2167 PRESSURE: 1154200 -24.4803 -7.15616 11.9307 -7.15551 -194.545 58.9222 11.9315 58.9212 -54.7141 GPRESSURE: 1154200 -28.8083 9.98111 93.0882 -108.148 -49.832 -34.7395 -38.3051 104.098 -115.977 PRESSAVG: 1154200 73.8329 -16.2924 -31.5351 -16.2924 -40.8115 -3.95169 -31.5351 -3.95162 -8.7582 GPRESSAVG: 1154200 72.9433 -17.3229 -30.1779 -16.5512 -40.3328 -5.14077 -29.8308 -2.0988 -8.32418 TIMING: 1154200 CPU: 3655.2, 0.00317413/step Wall: 3655.2, 0.00317412/step, 3.39085 hours remaining, 238.683594 MB of memory in use. ENERGY: 1154200 3974.2427 20457.4136 14521.7239 239.4160 -203576.3536 2755.8086 0.0000 0.0000 52216.2413 -109411.5075 300.0875 -161627.7489 -109042.8049 299.2263 -91.2465 -64.8723 761142.2509 8.0877 8.0954 PRESSURE: 1154400 -213.637 55.3505 -21.9461 55.3503 -291.402 -2.71236 -21.946 -2.71237 18.5018 GPRESSURE: 1154400 -260.205 59.9119 -38.3058 -31.3486 -179.38 -0.154991 -118.466 24.9373 36.734 PRESSAVG: 1154400 -11.4825 27.1165 21.3412 27.1164 1.06943 -11.8519 21.3413 -11.8519 10.2456 GPRESSAVG: 1154400 -9.36027 27.172 21.7546 26.4353 1.80773 -11.1591 18.1261 -13.1098 7.1699 TIMING: 1154400 CPU: 3655.84, 0.00318282/step Wall: 3655.84, 0.00318282/step, 3.39996 hours remaining, 238.683594 MB of memory in use. ENERGY: 1154400 4007.5246 20575.4831 14460.2006 231.1226 -203484.0789 2723.2419 0.0000 0.0000 52172.4762 -109314.0300 299.8359 -161486.5062 -108962.0816 299.4601 -162.1789 -134.2834 762220.3486 -0.0558 -0.1275 PRESSURE: 1154600 -356.89 -35.5476 261.093 -35.5477 -166.721 346.012 261.093 346.013 -118.991 GPRESSURE: 1154600 -357.52 -18.83 189.331 11.5382 -173.156 295.76 176.678 310.685 -4.1959 PRESSAVG: 1154600 35.8179 3.63936 -39.997 3.63937 10.0274 27.5944 -39.997 27.5944 2.23714 GPRESSAVG: 1154600 32.2949 3.41926 -41.5378 5.03005 11.2214 26.0202 -38.3564 29.3803 4.46393 TIMING: 1154600 CPU: 3656.48, 0.00319914/step Wall: 3656.48, 0.00319914/step, 3.41721 hours remaining, 238.683594 MB of memory in use. ENERGY: 1154600 4060.3723 20347.2945 14417.7517 242.9547 -202962.2171 2460.5101 0.0000 0.0000 51812.7125 -109620.6213 297.7684 -161433.3337 -109264.4430 299.0414 -214.2004 -178.2906 762167.3560 16.0275 15.9934 PRESSURE: 1154800 32.2377 -155.469 -2.81117 -155.468 -222.849 -110.77 -2.81145 -110.768 -447.56 GPRESSURE: 1154800 17.598 -15.9366 80.6309 -142.707 -236.92 -125.783 -9.17252 -11.2497 -332.514 PRESSAVG: 1154800 55.5912 -21.6064 -19.4317 -21.6064 -34.148 2.92422 -19.4317 2.9242 -26.3229 GPRESSAVG: 1154800 56.638 -19.9135 -16.9853 -21.5624 -36.1417 5.47474 -20.9717 1.25294 -25.8868 TIMING: 1154800 CPU: 3657.11, 0.00318238/step Wall: 3657.11, 0.00318238/step, 3.39913 hours remaining, 238.683594 MB of memory in use. ENERGY: 1154800 4087.1922 20365.6236 14454.7816 241.7542 -203075.2678 2423.9392 0.0000 0.0000 51857.4762 -109644.5009 298.0256 -161501.9771 -109291.2878 298.7558 -212.7239 -183.9453 760717.6200 -1.6266 -1.7968 PRESSURE: 1155000 -20.5706 30.9932 139.742 30.9931 -252.517 -9.6624 139.742 -9.6624 183.259 GPRESSURE: 1155000 6.84386 61.6013 98.6053 1.71597 -245.531 17.4222 245.709 -13.8729 254.997 PRESSAVG: 1155000 31.5595 -45.5859 -7.374 -45.5859 -19.4453 1.21889 -7.374 1.21896 -5.19278 GPRESSAVG: 1155000 31.961 -47.6764 -11.2737 -46.3419 -18.2178 0.473541 -3.95277 2.97002 -6.64956 TIMING: 1155000 CPU: 3657.75, 0.00318375/step Wall: 3657.75, 0.00318375/step, 3.40042 hours remaining, 238.683594 MB of memory in use. ENERGY: 1155000 3989.0679 20237.7693 14368.6524 249.6776 -203410.7805 2688.3715 0.0000 0.0000 52210.3467 -109666.8951 300.0536 -161877.2418 -109305.6812 298.8022 -29.9426 5.4367 761645.6057 2.3071 2.3645 PRESSURE: 1155200 95.1551 188.55 -108.847 188.55 -130.601 -188.734 -108.847 -188.733 -48.2845 GPRESSURE: 1155200 156.198 167.743 -231.352 160.33 -90.5844 -139.275 -155.497 -275.418 -81.6249 PRESSAVG: 1155200 12.3945 17.9352 -16.4926 17.9352 -8.39707 -3.64287 -16.4925 -3.64288 2.32671 GPRESSAVG: 1155200 11.9277 18.5035 -14.7195 17.5222 -9.74409 -4.58241 -18.2135 -4.623 4.30306 TIMING: 1155200 CPU: 3658.39, 0.00318182/step Wall: 3658.39, 0.00318182/step, 3.39818 hours remaining, 238.683594 MB of memory in use. ENERGY: 1155200 3983.5478 20378.3405 14390.8053 238.4441 -203268.5709 2616.0311 0.0000 0.0000 52253.4588 -109407.9434 300.3013 -161661.4021 -109035.2834 299.3452 -27.9102 -5.3372 761855.2923 2.1080 2.1622 PRESSURE: 1155400 251.031 -144.563 94.9407 -144.563 363.073 51.4079 94.9409 51.4082 183.671 GPRESSURE: 1155400 262.242 -25.7383 97.2301 -154.303 428.559 66.906 -27.8059 167.033 168.093 PRESSAVG: 1155400 -31.4122 21.7958 -58.6971 21.7959 54.6847 59.0341 -58.6971 59.034 -10.377 GPRESSAVG: 1155400 -31.2676 22.5015 -56.5422 23.214 56.5315 60.2824 -59.9625 57.7208 -12.1992 TIMING: 1155400 CPU: 3659.02, 0.00317021/step Wall: 3659.02, 0.00317022/step, 3.38561 hours remaining, 238.683594 MB of memory in use. ENERGY: 1155400 3960.2015 20499.0943 14412.9320 252.3452 -203322.1586 2684.1576 0.0000 0.0000 51821.6195 -109691.8085 297.8196 -161513.4280 -109329.2366 298.4963 265.9250 286.2979 761175.7081 4.2985 4.3549 PRESSURE: 1155600 40.4656 239.793 136.24 239.793 -132.515 163.997 136.24 163.997 -130.833 GPRESSURE: 1155600 52.0533 186.435 162.91 179.156 -126.207 105.257 62.9614 260.545 -81.3585 PRESSAVG: 1155600 -5.72034 -23.3565 0.257734 -23.3565 17.4483 68.8681 0.257696 68.868 -7.40567 GPRESSAVG: 1155600 -5.24352 -26.4022 -1.39205 -23.7554 16.5775 69.988 0.575224 69.7414 -6.93463 TIMING: 1155600 CPU: 3659.65, 0.0031618/step Wall: 3659.65, 0.0031618/step, 3.37645 hours remaining, 238.683594 MB of memory in use. ENERGY: 1155600 4067.8160 20337.0753 14456.6499 258.4337 -203302.1728 2635.8093 0.0000 0.0000 51622.3480 -109924.0406 296.6743 -161546.3885 -109569.6394 297.9337 -74.2941 -51.8373 764272.9219 1.4408 1.4664 PRESSURE: 1155800 -133.236 -72.8866 39.4409 -72.8867 -240.61 37.869 39.4405 37.8695 -92.116 GPRESSURE: 1155800 -189.166 -136.883 97.5787 -63.4432 -85.9176 92.0335 21.7087 1.57351 -95.6993 PRESSAVG: 1155800 -57.2452 0.767885 25.097 0.767859 51.1183 38.2712 25.097 38.2712 19.4195 GPRESSAVG: 1155800 -58.8252 3.81706 24.9163 0.279506 51.8596 36.7348 25.0427 39.4097 20.3231 TIMING: 1155800 CPU: 3660.29, 0.00317321/step Wall: 3660.29, 0.00317321/step, 3.38846 hours remaining, 238.683594 MB of memory in use. ENERGY: 1155800 3934.8931 20588.9117 14481.0977 257.3724 -203512.4516 2596.8495 0.0000 0.0000 51984.1195 -109669.2077 298.7534 -161653.3272 -109299.1357 298.0397 -155.3204 -123.5945 760817.3799 4.4309 4.4525 PRESSURE: 1156000 101.555 -30.2833 -127.554 -30.2832 -25.1462 -166.92 -127.554 -166.92 -309.678 GPRESSURE: 1156000 115.288 -73.9257 -192.341 -56.8362 27.8333 -126.264 -0.0967334 -68.8251 -273.701 PRESSAVG: 1156000 -4.78838 -20.536 -21.8151 -20.536 53.2565 14.1725 -21.8152 14.1724 12.6859 GPRESSAVG: 1156000 -3.18675 -23.3439 -21.4016 -20.1017 52.1253 13.4459 -21.9925 14.6587 12.0374 TIMING: 1156000 CPU: 3660.93, 0.00319772/step Wall: 3660.93, 0.00319772/step, 3.41445 hours remaining, 238.683594 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: 1156000 4007.3306 20275.2577 14528.9531 221.0129 -203146.3541 2436.5323 0.0000 0.0000 52247.8493 -109429.4182 300.2691 -161677.2675 -109061.3371 299.2560 -77.7566 -43.5268 760725.4905 20.3847 20.3253 PRESSURE: 1156200 -109.546 -235.873 8.66582 -235.874 -318.274 -134.44 8.66523 -134.44 -198.595 GPRESSURE: 1156200 -82.3365 -285.079 10.9118 -328.063 -297.932 -146.716 -64.8835 -167.567 -167.229 PRESSAVG: 1156200 1.72045 17.5789 -29.1031 17.5789 15.6302 50.1042 -29.1031 50.1043 21.7456 GPRESSAVG: 1156200 0.690558 17.1062 -28.4275 17.4669 16.2182 51.0625 -28.3587 47.9274 22.0621 TIMING: 1156200 CPU: 3661.57, 0.00319122/step Wall: 3661.57, 0.00319121/step, 3.40733 hours remaining, 238.683594 MB of memory in use. ENERGY: 1156200 4021.3419 20464.4507 14465.6170 251.4673 -203213.5000 2527.0418 0.0000 0.0000 52176.1825 -109307.3988 299.8572 -161483.5813 -108945.4996 299.4727 -208.8049 -182.4992 762961.7594 13.0321 12.9903 LDB: ============= START OF LOAD BALANCING ============== 3674.02 LDB: ============== END OF LOAD BALANCING =============== 3674.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3674.02 LDB: ============= START OF LOAD BALANCING ============== 3674.34 LDB: Largest compute 7029 load 0.034901 is 17.9% of average load 0.195091 LDB: Average compute 0.004400 is 2.3% of average load 0.195091 LDB: TIME 3674.35 LOAD: AVG 0.195091 MAX 0.216173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.98 MB LDB: TIME 3674.35 LOAD: AVG 0.195091 MAX 0.216173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.98 MB LDB: TIME 3674.35 LOAD: AVG 0.195091 MAX 0.216173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.98 MB LDB: ============== END OF LOAD BALANCING =============== 3674.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3674.35 PRESSURE: 1156400 71.8805 -155.792 -16.0829 -155.794 -38.6517 -124.155 -16.0828 -124.156 363.955 GPRESSURE: 1156400 105.116 -77.2914 -51.9025 -112.108 -9.62708 -132.799 41.0923 -66.2449 387.975 PRESSAVG: 1156400 27.5956 -4.01116 0.89979 -4.01124 -24.1975 51.7087 0.8998 51.7087 1.24898 GPRESSAVG: 1156400 27.1001 -1.2599 0.559782 -5.70538 -24.0393 51.4031 -0.19277 51.1418 1.33287 TIMING: 1156400 CPU: 3662.22, 0.00325462/step Wall: 3662.22, 0.00325462/step, 3.47485 hours remaining, 237.972656 MB of memory in use. ENERGY: 1156400 4004.6179 20410.0642 14493.8084 256.0299 -203281.7403 2657.7980 0.0000 0.0000 52241.1171 -109218.3048 300.2304 -161459.4218 -108856.3949 299.3089 132.3946 161.1548 760731.9658 1.5490 1.4645 PRESSURE: 1156600 -5.45379 203.975 -157.409 203.976 44.8631 -177.574 -157.409 -177.575 73.3393 GPRESSURE: 1156600 30.7016 101.683 -162.004 230.431 64.6226 -169.329 -62.7599 -143.23 106.852 PRESSAVG: 1156600 44.7798 -2.07271 -0.868714 -2.07274 -5.62101 35.3834 -0.868739 35.3834 -27.7472 GPRESSAVG: 1156600 45.2342 -3.47161 -1.60745 -0.966585 -5.85465 35.3232 -0.794682 35.9773 -27.5495 TIMING: 1156600 CPU: 3662.85, 0.0031711/step Wall: 3662.85, 0.0031711/step, 3.3855 hours remaining, 237.972656 MB of memory in use. ENERGY: 1156600 4019.0450 20485.9475 14505.2679 239.6023 -203129.6076 2539.7345 0.0000 0.0000 51871.1291 -109468.8813 298.1041 -161340.0103 -109104.4753 299.3240 37.5829 67.3919 760795.1835 3.8039 3.9433 PRESSURE: 1156800 -497.538 47.5236 -53.0132 47.523 136.453 -98.9808 -53.0151 -98.981 -123.335 GPRESSURE: 1156800 -406.703 -44.9255 -145.511 102.447 81.1454 -73.1091 -38.2603 -72.9016 -92.8887 PRESSAVG: 1156800 -52.6873 -23.9539 -12.7323 -23.9539 82.6955 44.7486 -12.7323 44.7484 13.1365 GPRESSAVG: 1156800 -53.0882 -24.8193 -12.7968 -22.5391 82.6277 44.9055 -12.3639 45.9226 13.7607 TIMING: 1156800 CPU: 3663.49, 0.0031818/step Wall: 3663.49, 0.0031818/step, 3.39675 hours remaining, 237.972656 MB of memory in use. ENERGY: 1156800 3909.0425 20241.2203 14459.9857 238.1295 -202631.8740 2168.8542 0.0000 0.0000 52041.4639 -109573.1779 299.0830 -161614.6418 -109200.9896 299.1813 -161.4735 -139.4820 760263.4314 14.3816 14.4334 PRESSURE: 1157000 128.899 -181.626 42.2916 -181.626 -395.261 164.79 42.291 164.789 133.732 GPRESSURE: 1157000 271.575 -122.528 45.911 -113.691 -334.991 173.852 -79.1809 108.326 42.0105 PRESSAVG: 1157000 -2.16502 -11.2034 -18.8233 -11.2033 -11.3745 22.5039 -18.8234 22.5038 -9.67265 GPRESSAVG: 1157000 -1.50674 -10.2242 -18.1695 -13.2816 -12.4819 21.394 -20.771 21.8324 -10.0379 TIMING: 1157000 CPU: 3664.12, 0.00318567/step Wall: 3664.12, 0.00318567/step, 3.40071 hours remaining, 237.972656 MB of memory in use. ENERGY: 1157000 3962.5713 20593.9654 14497.7348 248.6578 -203218.2178 2402.9300 0.0000 0.0000 51924.1108 -109588.2477 298.4086 -161512.3585 -109237.9821 298.7615 -44.2100 -7.1353 760647.6626 -7.7374 -8.0088 PRESSURE: 1157200 -142.212 -44.7246 -24.343 -44.7248 169.442 137.692 -24.3432 137.692 148.354 GPRESSURE: 1157200 -95.3807 -14.7455 -80.4429 -101.509 175.984 91.3264 66.4994 158.77 203.202 PRESSAVG: 1157200 67.9124 -22.1558 43.4667 -22.1558 -46.8247 1.0609 43.4667 1.06093 -0.696642 GPRESSAVG: 1157200 67.3879 -22.089 45.2154 -20.7688 -45.5254 0.159473 44.501 1.31734 -1.11242 TIMING: 1157200 CPU: 3664.76, 0.00317233/step Wall: 3664.76, 0.00317233/step, 3.38629 hours remaining, 237.972656 MB of memory in use. ENERGY: 1157200 4122.5465 20426.9556 14396.7838 234.5037 -202967.9855 2283.5018 0.0000 0.0000 52047.3856 -109456.3084 299.1170 -161503.6940 -109097.8389 299.5432 58.5278 94.6017 760388.3524 6.7970 6.9167 PRESSURE: 1157400 -85.8404 68.2954 -40.4784 68.2954 66.2397 206.793 -40.4787 206.794 3.42006 GPRESSURE: 1157400 -15.9143 46.0696 8.29187 145.474 55.9082 198.58 -47.47 156.298 28.2791 PRESSAVG: 1157400 -32.4219 34.2255 0.595455 34.2255 27.775 34.9086 0.595458 34.9087 -11.285 GPRESSAVG: 1157400 -31.9926 35.3971 0.345567 34.2695 25.9088 37.0343 0.547361 34.6333 -10.1604 TIMING: 1157400 CPU: 3665.39, 0.00316599/step Wall: 3665.39, 0.00316599/step, 3.37934 hours remaining, 237.972656 MB of memory in use. ENERGY: 1157400 4051.0851 20497.7899 14397.4685 239.3486 -203554.0053 2680.6143 0.0000 0.0000 51984.4051 -109703.2938 298.7551 -161687.6989 -109336.4135 299.0904 -5.3935 22.7577 759381.7662 -5.3107 -5.4147 PRESSURE: 1157600 -42.495 -114.32 -125.545 -114.32 -163.633 -238.49 -125.545 -238.49 32.3752 GPRESSURE: 1157600 -110.479 -92.0811 -114.563 -114.25 -63.901 -215.015 -124.282 -320.067 85.1749 PRESSAVG: 1157600 -63.2817 -11.9575 -68.8549 -11.9575 64.0299 22.2657 -68.8549 22.2658 -7.41222 GPRESSAVG: 1157600 -64.3629 -12.6777 -69.6764 -12.705 66.3931 21.1566 -66.7255 21.299 -8.77012 TIMING: 1157600 CPU: 3666.03, 0.00317144/step Wall: 3666.03, 0.00317144/step, 3.38499 hours remaining, 237.972656 MB of memory in use. ENERGY: 1157600 4004.8845 20357.0647 14434.7634 245.3391 -203401.1478 2517.8550 0.0000 0.0000 52144.1825 -109697.0586 299.6733 -161841.2411 -109328.1962 298.6726 -57.9176 -29.7349 759951.2152 -2.2214 -2.2466 PRESSURE: 1157800 -212.24 -88.7544 256.584 -88.7542 -239.09 40.0301 256.584 40.0292 66.5604 GPRESSURE: 1157800 -172.04 -18.7352 233.806 -113.685 -207.031 23.4934 222.405 103.152 87.7295 PRESSAVG: 1157800 1.30479 -0.269682 -54.4951 -0.269699 1.57671 8.23527 -54.4951 8.2353 -20.8956 GPRESSAVG: 1157800 2.0098 -1.2681 -53.2764 0.367307 -0.101958 7.07298 -55.8703 11.897 -20.3508 TIMING: 1157800 CPU: 3666.67, 0.00320838/step Wall: 3666.67, 0.00320838/step, 3.42424 hours remaining, 237.972656 MB of memory in use. ENERGY: 1157800 3999.1313 20329.6400 14423.1591 250.3749 -202941.7184 2274.6758 0.0000 0.0000 51965.2610 -109699.4761 298.6451 -161664.7371 -109337.2582 298.9646 -128.2566 -97.1139 762004.2531 -6.0047 -6.1477 PRESSURE: 1158000 232.765 -310.397 -168.3 -310.398 323.838 224.218 -168.299 224.218 12.6992 GPRESSURE: 1158000 238.436 -222.77 -198.025 -292.962 342.16 305.141 -60.2695 222.487 84.2123 PRESSAVG: 1158000 -28.9566 -5.9384 -31.5041 -5.93843 -0.521467 32.8975 -31.5041 32.8975 3.86726 GPRESSAVG: 1158000 -29.4257 -6.83037 -33.2736 -6.23944 0.564751 35.0928 -31.9166 31.0181 3.20091 TIMING: 1158000 CPU: 3667.31, 0.0031891/step Wall: 3667.31, 0.0031891/step, 3.40348 hours remaining, 237.972656 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: 1158000 4004.4154 20729.0745 14426.2398 261.6720 -203728.6351 2697.5287 0.0000 0.0000 51979.2541 -109630.4506 298.7255 -161609.7047 -109269.2784 298.8636 189.7674 221.6028 759989.2291 -8.5369 -8.5533 PRESSURE: 1158200 126.952 -29.1009 30.4307 -29.1009 -120.675 3.29074 30.4312 3.29183 -290.775 GPRESSURE: 1158200 169.931 -79.8026 -4.56527 -28.7661 -123.584 13.6316 76.4085 2.81763 -277.022 PRESSAVG: 1158200 3.92518 -12.8986 -43.5902 -12.8987 -17.2545 56.7074 -43.5902 56.7074 -25.1176 GPRESSAVG: 1158200 3.21316 -11.6988 -44.2099 -14.2395 -17.9163 54.4613 -43.206 58.2225 -23.781 TIMING: 1158200 CPU: 3667.94, 0.00319221/step Wall: 3667.94, 0.00319221/step, 3.40662 hours remaining, 237.972656 MB of memory in use. ENERGY: 1158200 4003.5602 20508.4533 14408.0746 247.5959 -203326.3344 2479.9034 0.0000 0.0000 52170.6578 -109508.0891 299.8255 -161678.7469 -109144.6383 299.5496 -94.8327 -76.8917 762160.0961 -12.8157 -12.8280 PRESSURE: 1158400 121.008 55.8468 122.028 55.8472 18.766 -169.439 122.029 -169.439 92.0749 GPRESSURE: 1158400 104.639 107.523 141.592 67.1667 34.2574 -102.608 96.3974 -134.183 155.591 PRESSAVG: 1158400 11.6414 -11.1722 18.1287 -11.1721 15.3687 47.0046 18.1287 47.0047 -12.2629 GPRESSAVG: 1158400 12.9063 -11.3543 19.3031 -10.6625 14.9902 46.9606 17.2679 45.9037 -13.1786 TIMING: 1158400 CPU: 3668.58, 0.00320054/step Wall: 3668.58, 0.00320054/step, 3.41533 hours remaining, 237.972656 MB of memory in use. ENERGY: 1158400 3937.9578 20480.6572 14443.8219 232.1641 -203556.4587 2601.9561 0.0000 0.0000 52178.6234 -109681.2783 299.8713 -161859.9017 -109307.3596 299.4442 77.2831 98.1624 760853.7472 4.9157 4.9060 PRESSURE: 1158600 -47.7796 -199.544 -150 -199.544 -146.862 25.1885 -149.999 25.189 235.684 GPRESSURE: 1158600 -10.1322 -164.914 -175.611 -160.561 -149.099 19.3507 -66.6257 -1.4654 275.941 PRESSAVG: 1158600 9.04105 -35.5917 -46.1531 -35.5916 -20.2861 0.473349 -46.1531 0.473306 11.7533 GPRESSAVG: 1158600 7.15563 -34.9586 -45.1363 -34.4718 -19.0468 1.57992 -45.404 -0.214145 12.6761 TIMING: 1158600 CPU: 3669.22, 0.00318748/step Wall: 3669.22, 0.00318748/step, 3.40122 hours remaining, 237.972656 MB of memory in use. ENERGY: 1158600 3907.7614 20522.9837 14430.8670 242.7450 -203478.2202 2502.5337 0.0000 0.0000 52251.8127 -109619.5167 300.2919 -161871.3294 -109254.5066 299.1842 13.6808 38.9032 761603.9357 0.1694 0.2617 PRESSURE: 1158800 -266.725 -76.1753 -12.9386 -76.1751 -320.983 337.06 -12.938 337.06 87.7581 GPRESSURE: 1158800 -154.738 -109.709 -160.646 -238.221 -321.954 344.084 48.1108 371.974 54.9175 PRESSAVG: 1158800 63.0013 -14.2625 2.25953 -14.2624 -21.3984 25.8205 2.25955 25.8205 -3.30663 GPRESSAVG: 1158800 63.5167 -13.13 1.47857 -15.3223 -22.5079 26.3461 2.35594 27.3224 -3.4101 TIMING: 1158800 CPU: 3669.86, 0.00320209/step Wall: 3669.86, 0.00320209/step, 3.41663 hours remaining, 237.972656 MB of memory in use. ENERGY: 1158800 3935.6801 20632.3311 14375.7759 248.3343 -203169.8746 2341.3914 0.0000 0.0000 51903.6923 -109732.6694 298.2912 -161636.3616 -109377.0452 298.8298 -166.6500 -140.5915 762614.5387 12.7654 12.5329 PRESSURE: 1159000 -246.271 88.0778 -230.175 88.0774 -90.3161 467.244 -230.175 467.244 -214.808 GPRESSURE: 1159000 -268.885 -57.2296 -133.765 9.43095 0.468073 518.412 -248.558 344.342 -192.727 PRESSAVG: 1159000 42.1483 -0.0807376 -45.512 -0.080754 19.2692 63.2932 -45.5121 63.2932 -13.4441 GPRESSAVG: 1159000 42.923 0.226664 -46.7938 -0.957451 19.7706 63.6627 -47.5755 59.6258 -14.685 TIMING: 1159000 CPU: 3670.51, 0.0032129/step Wall: 3670.51, 0.0032129/step, 3.42798 hours remaining, 237.972656 MB of memory in use. ENERGY: 1159000 4006.7298 20584.0392 14379.2732 232.6968 -203470.1277 2608.1130 0.0000 0.0000 52076.8226 -109582.4532 299.2862 -161659.2759 -109222.9249 298.4063 -183.7982 -153.7146 762276.0999 15.9911 16.0029 PRESSURE: 1159200 109.592 83.824 -25.3187 83.8245 -253.275 -68.7564 -25.3179 -68.7567 -434.484 GPRESSURE: 1159200 90.7172 -21.9709 -48.0904 54.5146 -182.873 -34.5428 17.811 -59.0917 -400.894 PRESSAVG: 1159200 0.263392 1.80228 -84.0936 1.80228 24.3248 54.396 -84.0937 54.3959 -7.76922 GPRESSAVG: 1159200 -1.14367 0.78559 -84.4621 4.24683 24.4667 53.2262 -81.7189 56.7332 -6.18254 TIMING: 1159200 CPU: 3671.15, 0.00320026/step Wall: 3671.15, 0.00320026/step, 3.41433 hours remaining, 237.972656 MB of memory in use. ENERGY: 1159200 4008.4733 20433.5315 14540.2842 260.2445 -203381.9455 2439.3402 0.0000 0.0000 52115.7408 -109584.3310 299.5099 -161700.0717 -109221.0603 299.2581 -192.7226 -164.3499 762356.8133 5.6063 5.7135 PRESSURE: 1159400 -263.241 10.9763 200.428 10.9763 167.54 -55.7165 200.428 -55.7158 -78.1249 GPRESSURE: 1159400 -133.293 32.6033 125.827 31.9733 99.7395 -126.143 135.586 -63.5299 -45.9141 PRESSAVG: 1159400 34.9377 69.3112 2.65554 69.3112 -25.1176 -33.4657 2.65556 -33.4657 17.5336 GPRESSAVG: 1159400 37.4105 69.3853 2.27104 69.5726 -25.0625 -33.598 3.65382 -35.1725 15.3448 TIMING: 1159400 CPU: 3671.78, 0.00317773/step Wall: 3671.78, 0.00317773/step, 3.39011 hours remaining, 237.972656 MB of memory in use. ENERGY: 1159400 4031.0006 20607.1685 14527.2573 263.8034 -203472.0435 2718.6223 0.0000 0.0000 51969.6236 -109354.5679 298.6701 -161324.1915 -108989.9391 299.1326 -57.9421 -26.4892 763067.0292 9.1179 9.2310 PRESSURE: 1159600 -168.498 -128.786 -8.34452 -128.787 -197.625 148.541 -8.34397 148.541 192.01 GPRESSURE: 1159600 -61.1999 -74.3817 -97.4615 -87.8015 -243.794 189.683 56.9244 154.485 212.243 PRESSAVG: 1159600 -14.5717 17.4755 34.2049 17.4754 28.0174 2.90927 34.2049 2.90933 17.4722 GPRESSAVG: 1159600 -17.3161 17.1073 35.0595 18.5706 29.4488 2.56997 32.0732 2.89799 19.2794 TIMING: 1159600 CPU: 3672.42, 0.00317502/step Wall: 3672.42, 0.00317502/step, 3.38705 hours remaining, 237.972656 MB of memory in use. ENERGY: 1159600 3982.2275 20488.1972 14488.3443 252.4544 -203537.4643 2591.4392 0.0000 0.0000 52222.6730 -109512.1288 300.1244 -161734.8018 -109151.1983 299.7510 -58.0376 -30.9167 761934.7789 10.3060 10.4707 PRESSURE: 1159800 -375.319 23.0225 -120.577 23.0221 -129.59 56.709 -120.578 56.7078 2.26735 GPRESSURE: 1159800 -304.59 49.7339 37.2107 -21.6724 -145.255 59.5375 -37.0798 93.2693 9.75935 PRESSAVG: 1159800 -4.7597 -1.0432 8.32609 -1.04323 -0.138833 -27.7482 8.32613 -27.7482 17.4139 GPRESSAVG: 1159800 -3.16742 -1.41483 10.087 -1.05257 -1.60906 -27.2462 9.50434 -27.4181 17.8583 TIMING: 1159800 CPU: 3673.06, 0.00319987/step Wall: 3673.06, 0.00319987/step, 3.41337 hours remaining, 237.972656 MB of memory in use. ENERGY: 1159800 3937.2805 20534.0489 14478.3920 262.9435 -203105.0378 2338.4540 0.0000 0.0000 52045.4934 -109508.4255 299.1062 -161553.9188 -109130.2827 299.5124 -167.5471 -146.6953 762323.9021 4.1718 4.3606 PRESSURE: 1160000 78.3912 138.519 -5.27587 138.519 -187.636 -3.4847 -5.27596 -3.48439 228.627 GPRESSURE: 1160000 64.4935 34.645 26.807 32.9302 -87.7427 57.6099 95.1549 94.0092 234.924 PRESSAVG: 1160000 10.3402 18.5893 -43.7386 18.5894 7.66843 49.2251 -43.7387 49.2251 22.481 GPRESSAVG: 1160000 10.1835 19.9142 -45.5239 16.7687 8.34922 50.1044 -43.7911 47.7239 22.1653 TIMING: 1160000 CPU: 3673.69, 0.0031936/step Wall: 3673.69, 0.0031936/step, 3.40651 hours remaining, 237.972656 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: 1160000 4037.7856 20565.6413 14468.1463 259.1950 -203649.1612 2760.8043 0.0000 0.0000 52242.9458 -109314.6429 300.2409 -161557.5886 -108943.8453 299.4781 39.7939 70.5583 759295.9700 13.4966 13.5660 PRESSURE: 1160200 162.585 -64.827 180.605 -64.827 -36.6273 113.14 180.606 113.139 -200.028 GPRESSURE: 1160200 163.628 -98.0317 183.144 57.9449 -34.4496 44.0041 150.083 104.002 -113.835 PRESSAVG: 1160200 81.3096 17.8078 -16.8037 17.8077 -23.2083 54.995 -16.8036 54.9951 -5.47013 GPRESSAVG: 1160200 81.8429 19.3674 -18.1575 18.7268 -23.135 52.5025 -17.8515 55.1125 -5.47852 TIMING: 1160200 CPU: 3674.33, 0.00320061/step Wall: 3674.33, 0.00320061/step, 3.41381 hours remaining, 237.972656 MB of memory in use. ENERGY: 1160200 3997.8547 20695.8174 14533.1913 244.3193 -203636.3797 2794.3695 0.0000 0.0000 51987.4268 -109383.4007 298.7725 -161370.8275 -109029.6126 299.5588 -24.6902 5.1144 760430.5434 17.5437 17.7431 LDB: ============= START OF LOAD BALANCING ============== 3686.79 LDB: ============== END OF LOAD BALANCING =============== 3686.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3686.79 LDB: ============= START OF LOAD BALANCING ============== 3687.11 LDB: Largest compute 7068 load 0.035314 is 18.1% of average load 0.195214 LDB: Average compute 0.004404 is 2.3% of average load 0.195214 LDB: TIME 3687.12 LOAD: AVG 0.195214 MAX 0.218764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.113 MB LDB: TIME 3687.12 LOAD: AVG 0.195214 MAX 0.218764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.316 MB LDB: TIME 3687.12 LOAD: AVG 0.195214 MAX 0.216404 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.316 MB LDB: ============== END OF LOAD BALANCING =============== 3687.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3687.12 PRESSURE: 1160400 -39.8418 248.198 -57.8036 248.199 -147.801 37.6176 -57.8035 37.6164 170.816 GPRESSURE: 1160400 -29.004 313.068 -164.674 219.694 -198.261 71.3781 -124.872 28.1302 300.987 PRESSAVG: 1160400 33.9288 -31.461 -18.2833 -31.461 -55.588 51.3543 -18.2833 51.3544 24.1579 GPRESSAVG: 1160400 34.8133 -34.354 -17.2477 -33.4088 -57.4799 53.7971 -18.7011 53.2685 24.8127 TIMING: 1160400 CPU: 3674.99, 0.003266/step Wall: 3674.99, 0.003266/step, 3.48337 hours remaining, 238.164062 MB of memory in use. ENERGY: 1160400 4130.1816 20394.0034 14473.5610 263.3408 -203209.3377 2439.0816 0.0000 0.0000 52323.9272 -109185.2420 300.7063 -161509.1692 -108812.7618 300.2458 -5.6090 24.5742 760305.5167 0.8329 0.7153 PRESSURE: 1160600 -17.4549 30.4387 177.897 30.4377 -29.2259 130.778 177.898 130.778 -108.913 GPRESSURE: 1160600 -36.6916 63.8379 214.641 -80.2474 29.2608 104.132 34.4104 82.2467 -48.3174 PRESSAVG: 1160600 80.6786 -42.2006 -25.9683 -42.2006 -38.5937 80.6574 -25.9683 80.6573 -5.03073 GPRESSAVG: 1160600 80.1057 -40.9163 -23.6576 -39.5074 -38.0973 78.2476 -28.2065 82.8604 -5.04979 TIMING: 1160600 CPU: 3675.63, 0.00320125/step Wall: 3675.63, 0.00320125/step, 3.41413 hours remaining, 238.367188 MB of memory in use. ENERGY: 1160600 4015.8014 20454.1394 14519.4217 249.4033 -202805.5646 2536.8739 0.0000 0.0000 51991.9514 -109037.9736 298.7985 -161029.9250 -108679.4723 299.9975 -51.8647 -18.5827 763010.1697 12.3514 12.3195 PRESSURE: 1160800 -63.0019 -4.35102 -91.8303 -4.35097 -46.8297 -9.921 -91.8301 -9.9209 -456.158 GPRESSURE: 1160800 2.12387 28.5432 -45.0207 -4.11008 -74.9471 -69.7632 -50.5738 -36.5443 -430.597 PRESSAVG: 1160800 53.7507 -40.0047 -42.6573 -40.0047 -30.2481 61.812 -42.6573 61.812 -6.24028 GPRESSAVG: 1160800 53.8195 -40.5783 -44.7146 -41.0869 -29.8067 62.0299 -39.257 61.2572 -7.15396 TIMING: 1160800 CPU: 3676.27, 0.00320958/step Wall: 3676.27, 0.00320958/step, 3.42284 hours remaining, 238.367188 MB of memory in use. ENERGY: 1160800 4014.7605 20481.2838 14443.7542 228.5143 -202807.6957 2272.6948 0.0000 0.0000 52228.0907 -109138.5975 300.1556 -161366.6882 -108779.3688 299.6268 -188.6631 -167.8069 762754.2198 5.7541 5.6196 PRESSURE: 1161000 -262.325 -22.0353 -92.5963 -22.0342 -510.369 -100.509 -92.5968 -100.51 -96.7317 GPRESSURE: 1161000 -231.84 -26.5936 -197.422 59.9563 -456.17 -110.327 -96.9699 -66.1092 -94.442 PRESSAVG: 1161000 10.9345 -19.5056 -4.61105 -19.5056 -16.186 -20.4321 -4.61103 -20.4321 -5.33091 GPRESSAVG: 1161000 10.3277 -19.6615 -4.58482 -21.1829 -16.3829 -18.356 -5.43744 -21.295 -4.53069 TIMING: 1161000 CPU: 3676.91, 0.00319493/step Wall: 3676.91, 0.00319493/step, 3.40704 hours remaining, 238.367188 MB of memory in use. ENERGY: 1161000 4070.5995 20723.0089 14490.0153 255.3474 -202650.1158 2037.7119 0.0000 0.0000 51933.8615 -109139.5714 298.4646 -161073.4330 -108780.7945 299.6904 -289.8087 -260.8174 760768.4164 -3.5275 -3.5286 PRESSURE: 1161200 159.658 -69.7269 -169.907 -69.7268 -16.858 260.406 -169.907 260.406 -197.185 GPRESSURE: 1161200 82.4896 -61.6521 -166.537 156.166 73.8846 164.934 -143.014 426.736 -131.695 PRESSAVG: 1161200 24.2266 -24.5837 -47.1167 -24.5837 -34.8607 22.2772 -47.1167 22.2773 1.35771 GPRESSAVG: 1161200 24.9695 -23.4334 -47.0933 -24.5519 -35.2602 20.9057 -46.0872 21.6387 1.37339 TIMING: 1161200 CPU: 3677.55, 0.00318586/step Wall: 3677.55, 0.00318586/step, 3.39719 hours remaining, 238.367188 MB of memory in use. ENERGY: 1161200 4076.9184 20585.0015 14446.7813 253.5569 -203150.7593 2413.7549 0.0000 0.0000 52235.2209 -109139.5256 300.1965 -161374.7465 -108769.7248 299.5187 -18.1285 8.2264 762077.3088 -3.0921 -2.9724 PRESSURE: 1161400 318.422 33.3276 -260.608 33.3272 -198.44 186.291 -260.609 186.292 7.53762 GPRESSURE: 1161400 279.235 -21.3984 -306.276 -21.395 -75.3839 202.348 -144.276 232.732 31.2829 PRESSAVG: 1161400 -0.19026 35.5109 -71.3141 35.511 12.1812 79.2141 -71.3142 79.2141 7.43128 GPRESSAVG: 1161400 -0.634555 34.2879 -70.8974 36.7205 12.0535 80.1574 -71.8817 79.5258 7.65434 TIMING: 1161400 CPU: 3678.19, 0.00320183/step Wall: 3678.19, 0.00320183/step, 3.41404 hours remaining, 238.367188 MB of memory in use. ENERGY: 1161400 4045.2657 20513.9057 14476.4579 240.2621 -203034.6596 2609.6675 0.0000 0.0000 51958.4422 -109190.6585 298.6059 -161149.1007 -108825.2406 299.4305 42.5063 78.3778 760968.3553 6.4741 6.3578 PRESSURE: 1161600 191.007 -239.636 -60.3849 -239.636 684.902 -167.561 -60.3833 -167.561 -228.401 GPRESSURE: 1161600 104.157 -279.357 -98.8822 -220.272 741.992 -265.707 -8.89294 -86.5107 -93.1277 PRESSAVG: 1161600 3.84694 -32.5439 -41.8215 -32.5438 5.92562 20.3464 -41.8214 20.3464 1.88055 GPRESSAVG: 1161600 3.15064 -34.8439 -43.2879 -33.9675 6.34089 19.6883 -41.8943 20.6431 2.19266 TIMING: 1161600 CPU: 3678.83, 0.00319369/step Wall: 3678.83, 0.0031937/step, 3.40519 hours remaining, 238.367188 MB of memory in use. ENERGY: 1161600 3982.9429 20440.4649 14429.4166 242.9217 -203041.4000 2627.7132 0.0000 0.0000 52019.4781 -109298.4626 298.9567 -161317.9406 -108938.0632 299.5875 215.8358 251.0073 760667.4225 3.8844 3.8947 PRESSURE: 1161800 -9.78748 21.8671 -64.2621 21.8676 368.184 -100.16 -64.2629 -100.161 263.865 GPRESSURE: 1161800 74.3565 -54.0656 -76.9398 55.0833 359.798 -114.511 115.449 -82.8549 256.953 PRESSAVG: 1161800 -36.7771 -20.9676 -128.629 -20.9676 37.5536 -23.0755 -128.629 -23.0755 1.04137 GPRESSAVG: 1161800 -36.9732 -18.4127 -127.749 -21.5443 38.3011 -23.1564 -127.92 -22.4936 0.240307 TIMING: 1161800 CPU: 3679.46, 0.00319031/step Wall: 3679.46, 0.00319031/step, 3.40141 hours remaining, 238.367188 MB of memory in use. ENERGY: 1161800 3989.3112 20407.4804 14568.2410 236.9161 -203491.3393 2508.6799 0.0000 0.0000 52317.2433 -109463.4673 300.6679 -161780.7106 -109079.9478 299.2218 207.4203 230.3692 760447.3429 0.6060 0.5227 PRESSURE: 1162000 -249.191 -132.354 150.691 -132.355 -72.9376 48.0879 150.691 48.0876 -447.204 GPRESSURE: 1162000 -254.165 -42.1939 219.308 -254.959 -3.38859 51.5017 55.6242 -92.8709 -421.517 PRESSAVG: 1162000 -19.3096 35.6254 5.70669 35.6254 -10.1725 -28.6634 5.70659 -28.6634 -11.5969 GPRESSAVG: 1162000 -19.7348 34.7695 5.08801 36.7276 -9.49109 -26.5369 5.44678 -30.1263 -11.2463 TIMING: 1162000 CPU: 3680.1, 0.00320333/step Wall: 3680.1, 0.00320333/step, 3.41511 hours remaining, 238.367188 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: 1162000 3984.2854 20425.8649 14536.0846 240.2357 -203661.6986 2847.3863 0.0000 0.0000 52196.4559 -109431.3857 299.9737 -161627.8416 -109069.0363 299.3041 -256.4441 -226.3570 760519.6661 -13.6930 -13.4907 PRESSURE: 1162200 -330.462 -175.044 115.679 -175.043 5.36014 30.2899 115.679 30.2909 -134.105 GPRESSURE: 1162200 -294.101 -121.221 82.9685 -99.6811 -32.1397 22.7911 83.7294 62.2346 -35.5079 PRESSAVG: 1162200 -23.3827 -2.53425 -54.0783 -2.53424 48.0063 -61.0042 -54.0783 -61.0041 -5.90979 GPRESSAVG: 1162200 -23.4924 -0.404078 -54.2824 -3.54982 46.7404 -63.5722 -55.6311 -59.0949 -5.24512 TIMING: 1162200 CPU: 3680.74, 0.00320379/step Wall: 3680.74, 0.00320379/step, 3.41542 hours remaining, 238.367188 MB of memory in use. ENERGY: 1162200 4010.4707 20503.5600 14484.6258 258.9597 -202924.0575 2434.4682 0.0000 0.0000 51874.3806 -109357.5925 298.1228 -161231.9731 -108998.7320 298.8427 -153.0691 -120.5829 761930.4239 6.2379 6.0010 PRESSURE: 1162400 -334.192 10.7894 -136.725 10.7893 -200.788 -98.189 -136.725 -98.1892 -112.259 GPRESSURE: 1162400 -324.73 -85.5923 -93.7648 -23.6346 -167.64 -14.7333 -56.158 -1.95696 -64.2322 PRESSAVG: 1162400 -41.2721 -14.8574 1.52196 -14.8574 25.1826 -49.8923 1.52195 -49.8923 25.3259 GPRESSAVG: 1162400 -40.2151 -16.0706 1.81185 -13.7528 25.7829 -49.3787 2.54565 -50.9672 23.7057 TIMING: 1162400 CPU: 3681.38, 0.00319369/step Wall: 3681.38, 0.00319369/step, 3.40447 hours remaining, 238.367188 MB of memory in use. ENERGY: 1162400 4028.6404 20453.0245 14509.5371 244.8717 -202770.1775 2388.7169 0.0000 0.0000 52058.7955 -109086.5915 299.1826 -161145.3871 -108721.0860 299.2784 -215.7466 -185.5341 763343.1198 3.0788 3.0912 PRESSURE: 1162600 -39.9422 -16.7992 197.205 -16.7982 -45.8123 -62.0425 197.205 -62.0418 151.321 GPRESSURE: 1162600 -29.3332 -130.607 237.634 -79.6053 27.5325 31.4173 231.722 46.1578 162.67 PRESSAVG: 1162600 17.0417 -11.1283 -14.7764 -11.1284 -32.3326 36.8938 -14.7765 36.8938 4.10789 GPRESSAVG: 1162600 16.5965 -10.3511 -14.3615 -10.93 -32.1712 36.0124 -14.3412 37.9122 4.36371 TIMING: 1162600 CPU: 3682.02, 0.00319713/step Wall: 3682.02, 0.00319713/step, 3.40796 hours remaining, 238.367188 MB of memory in use. ENERGY: 1162600 3986.2890 20462.5089 14537.1422 253.2289 -202932.5969 2435.2940 0.0000 0.0000 52186.9960 -109071.1379 299.9194 -161258.1339 -108718.2803 299.9344 21.8556 53.6230 760161.0221 -3.7277 -3.7370 PRESSURE: 1162800 -71.9204 -16.4732 -106.981 -16.4731 -200.639 -117.633 -106.98 -117.633 -56.2937 GPRESSURE: 1162800 -0.671007 107.889 -198.963 21.1681 -188.761 -67.2572 -122.531 -192.803 -67.0767 PRESSAVG: 1162800 36.5648 -70.8066 -26.6759 -70.8067 -9.35088 31.3108 -26.6759 31.3106 3.44152 GPRESSAVG: 1162800 35.6387 -72.7764 -27.8742 -70.1862 -8.84226 31.0549 -25.5155 32.3148 3.43514 TIMING: 1162800 CPU: 3682.66, 0.00319958/step Wall: 3682.66, 0.00319958/step, 3.4104 hours remaining, 238.367188 MB of memory in use. ENERGY: 1162800 4085.0735 20637.8853 14466.9314 241.8202 -202739.0743 2389.2410 0.0000 0.0000 51919.0046 -108999.1183 298.3792 -160918.1229 -108637.7951 300.0318 -109.6177 -85.5029 762414.9514 10.2185 10.0772 PRESSURE: 1163000 -281.231 60.6957 169.003 60.6953 -251.402 -45.2007 169.003 -45.2021 27.1502 GPRESSURE: 1163000 -182.165 127.412 150.439 28.3916 -262.853 -14.4004 24.6591 -207.241 27.7157 PRESSAVG: 1163000 46.0847 -46.0772 -14.8951 -46.0772 -68.2849 60.8554 -14.8951 60.8554 -8.89979 GPRESSAVG: 1163000 47.0968 -42.4199 -13.9164 -47.2982 -70.2251 61.7436 -16.8775 57.5577 -7.90482 TIMING: 1163000 CPU: 3683.31, 0.00321389/step Wall: 3683.31, 0.00321389/step, 3.42547 hours remaining, 238.367188 MB of memory in use. ENERGY: 1163000 4013.2751 20507.5974 14531.2790 259.8491 -203442.6432 2585.7429 0.0000 0.0000 52392.4559 -109152.4438 301.1002 -161544.8997 -108799.2237 299.6450 -168.4940 -139.1006 762155.3296 -10.3667 -10.3444 PRESSURE: 1163200 186.82 68.6066 -217.87 68.6068 45.2685 -58.0442 -217.87 -58.0445 304.879 GPRESSURE: 1163200 219.915 -33.7292 -169.344 -64.0609 87.0738 -10.6218 -248.989 30.3313 316.785 PRESSAVG: 1163200 17.3359 -28.9488 -64.5623 -28.9488 -16.723 27.8525 -64.5623 27.8526 -0.334907 GPRESSAVG: 1163200 17.2491 -31.3851 -63.541 -27.526 -15.5695 28.4003 -63.2233 28.8205 -1.19047 TIMING: 1163200 CPU: 3683.95, 0.00321622/step Wall: 3683.95, 0.00321622/step, 3.42777 hours remaining, 238.367188 MB of memory in use. ENERGY: 1163200 3927.8156 20488.3015 14548.1342 226.5990 -203156.4797 2628.4181 0.0000 0.0000 52157.2085 -109180.0028 299.7482 -161337.2113 -108819.8653 299.4167 178.9893 207.9245 761395.8017 0.0927 0.1630 PRESSURE: 1163400 -96.0313 99.4929 -97.4268 99.4926 47.9012 -17.195 -97.4272 -17.1958 -386.498 GPRESSURE: 1163400 9.83759 -0.146965 -145.203 171.283 60.3807 -49.8666 -93.235 -11.2656 -397.973 PRESSAVG: 1163400 73.1213 4.50331 -89.0161 4.50334 -46.6656 126.578 -89.0162 126.578 19.0255 GPRESSAVG: 1163400 72.545 3.63036 -90.3856 3.69684 -45.9326 125.173 -89.5636 127.319 19.2511 TIMING: 1163400 CPU: 3684.59, 0.00320083/step Wall: 3684.59, 0.00320083/step, 3.4112 hours remaining, 238.367188 MB of memory in use. ENERGY: 1163400 3852.4842 20502.7160 14511.2366 264.2538 -203066.6554 2430.7291 0.0000 0.0000 52176.5771 -109328.6585 299.8595 -161505.2357 -108956.8531 299.6307 -144.8761 -109.2516 761254.9442 15.1604 15.2878 PRESSURE: 1163600 20.6579 35.6088 -176.623 35.6095 -79.7826 -83.7769 -176.623 -83.7771 -315.448 GPRESSURE: 1163600 32.5301 -5.0131 -173.587 6.9529 -40.566 -70.0009 -40.7354 -91.5323 -293.734 PRESSAVG: 1163600 -8.6597 32.9612 -82.7054 32.9612 -18.1249 -8.3825 -82.7054 -8.38251 -12.0739 GPRESSAVG: 1163600 -7.89674 31.0759 -83.2175 32.0604 -18.7668 -7.05188 -81.8723 -9.38474 -12.3119 TIMING: 1163600 CPU: 3685.23, 0.00318911/step Wall: 3685.23, 0.00318911/step, 3.39852 hours remaining, 238.367188 MB of memory in use. ENERGY: 1163600 4070.1670 20408.6073 14486.1402 238.9944 -203434.1047 2845.5986 0.0000 0.0000 52120.1483 -109264.4489 299.5352 -161384.5972 -108910.8329 299.8476 -124.8577 -100.5899 762532.7276 -12.9528 -12.9918 PRESSURE: 1163800 58.8356 210.637 116.586 210.636 -84.0775 -53.9914 116.586 -53.991 -24.2481 GPRESSURE: 1163800 -6.90457 112.81 98.0371 149.154 75.7564 -22.7924 118.779 61.8527 -15.0119 PRESSAVG: 1163800 16.3292 2.96126 -28.607 2.96128 -11.1064 47.0175 -28.6069 47.0175 1.56428 GPRESSAVG: 1163800 15.8243 6.52184 -27.1359 1.47459 -11.4613 45.7956 -30.1839 48.6626 2.0623 TIMING: 1163800 CPU: 3685.87, 0.00319378/step Wall: 3685.87, 0.00319378/step, 3.40333 hours remaining, 238.367188 MB of memory in use. ENERGY: 1163800 4053.2388 20633.2662 14519.5271 234.1845 -203338.4104 2828.5425 0.0000 0.0000 52165.0026 -108904.6487 299.7930 -161069.6514 -108543.9992 299.9147 -16.4967 17.9466 761845.3945 2.2624 2.1418 PRESSURE: 1164000 383.424 -39.5809 -185.902 -39.5818 57.8935 27.8667 -185.902 27.8662 -308.893 GPRESSURE: 1164000 378.527 66.3388 -206.976 -112.415 57.8371 10.9934 -199.067 30.3727 -197.758 PRESSAVG: 1164000 59.7071 22.5976 -53.8498 22.5977 -44.123 13.6737 -53.8497 13.6737 -1.85959 GPRESSAVG: 1164000 60.3109 21.2294 -55.0026 23.9496 -44.4357 14.1822 -52.932 11.6576 -1.99054 TIMING: 1164000 CPU: 3686.51, 0.00320248/step Wall: 3686.51, 0.00320248/step, 3.41242 hours remaining, 238.367188 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: 1164000 4019.4454 20409.7284 14509.2715 250.3250 -202992.1902 2456.7294 0.0000 0.0000 52363.6944 -108982.9961 300.9349 -161346.6905 -108620.0418 300.0573 44.1416 79.5356 763081.7764 4.5749 4.6282 PRESSURE: 1164200 -244.811 69.9843 1.81248 69.9842 -189.216 -39.9452 1.81275 -39.945 -374.394 GPRESSURE: 1164200 -156.635 -63.0577 -22.8041 20.3829 -168.56 13.8718 -5.09509 -100.975 -379.363 PRESSAVG: 1164200 59.5515 19.5294 -44.917 19.5293 -30.926 48.7248 -44.9169 48.7248 -2.87807 GPRESSAVG: 1164200 60.4099 21.074 -44.0585 20.0726 -31.1964 48.3078 -47.7689 50.2808 -2.93842 TIMING: 1164200 CPU: 3687.15, 0.00319911/step Wall: 3687.15, 0.00319911/step, 3.40865 hours remaining, 238.367188 MB of memory in use. ENERGY: 1164200 3953.5247 20476.2654 14477.0061 214.5850 -202504.8397 2232.9122 0.0000 0.0000 52206.5259 -108944.0204 300.0316 -161150.5463 -108570.6814 300.0134 -269.4741 -234.8528 763330.3304 8.5825 8.7583 LDB: ============= START OF LOAD BALANCING ============== 3699.6 LDB: ============== END OF LOAD BALANCING =============== 3699.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3699.6 LDB: ============= START OF LOAD BALANCING ============== 3699.93 LDB: Largest compute 7032 load 0.034870 is 17.9% of average load 0.195124 LDB: Average compute 0.004409 is 2.3% of average load 0.195124 LDB: TIME 3699.93 LOAD: AVG 0.195124 MAX 0.217139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.941 MB LDB: TIME 3699.93 LOAD: AVG 0.195124 MAX 0.217139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: TIME 3699.93 LOAD: AVG 0.195124 MAX 0.217139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: ============== END OF LOAD BALANCING =============== 3699.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3699.94 PRESSURE: 1164400 119.126 -117.34 14.1103 -117.34 139.57 195.843 14.1113 195.842 -87.1668 GPRESSURE: 1164400 128.254 -15.8456 -48.6505 -34.5818 200.157 237.364 17.4054 205.86 -77.9814 PRESSAVG: 1164400 -16.5742 -9.82865 -53.363 -9.82862 58.9574 40.3541 -53.363 40.354 6.20819 GPRESSAVG: 1164400 -16.5965 -12.7023 -54.5079 -9.1794 58.6319 40.8151 -50.0428 40.3879 6.41882 TIMING: 1164400 CPU: 3687.8, 0.00327186/step Wall: 3687.8, 0.00327186/step, 3.48598 hours remaining, 237.140625 MB of memory in use. ENERGY: 1164400 4008.5549 20533.9141 14574.5735 241.7680 -202783.1454 2182.2366 0.0000 0.0000 52473.6980 -108768.4003 301.5671 -161242.0984 -108407.8078 300.3842 57.1764 83.4766 761504.3781 16.1971 16.1514 PRESSURE: 1164600 -22.5384 -48.772 -252.481 -48.7718 225.251 -99.5766 -252.481 -99.577 192.898 GPRESSURE: 1164600 -0.060239 -98.5981 -242.194 -75.7931 249.431 -74.6457 -34.8065 -6.29087 222.026 PRESSAVG: 1164600 -3.3112 3.96311 7.77598 3.96311 34.4824 39.9685 7.77595 39.9684 1.1812 GPRESSAVG: 1164600 -5.27875 4.82996 9.08032 1.02964 36.3232 41.361 6.1452 38.3956 0.772696 TIMING: 1164600 CPU: 3688.44, 0.00321635/step Wall: 3688.44, 0.00321635/step, 3.42667 hours remaining, 237.140625 MB of memory in use. ENERGY: 1164600 3951.8371 20506.7906 14509.2557 241.5893 -202749.2008 2523.7496 0.0000 0.0000 52152.0888 -108863.8897 299.7188 -161015.9785 -108504.8257 300.6525 131.8704 157.1322 760734.6648 10.7841 10.6057 PRESSURE: 1164800 69.7387 73.6919 -127.561 73.6918 -324.086 -47.483 -127.561 -47.4839 -111.02 GPRESSURE: 1164800 115.638 70.5127 -81.8727 32.517 -228.067 -76.0363 55.2228 -47.9508 -155.657 PRESSAVG: 1164800 30.1964 -20.5125 -36.0687 -20.5125 -16.8604 7.37719 -36.0687 7.37729 1.96414 GPRESSAVG: 1164800 30.0268 -19.6503 -37.9204 -19.9407 -17.2827 6.50354 -33.6064 8.06218 2.40575 TIMING: 1164800 CPU: 3689.09, 0.0032138/step Wall: 3689.09, 0.0032138/step, 3.42377 hours remaining, 237.140625 MB of memory in use. ENERGY: 1164800 4020.9697 20428.0628 14447.1553 262.0250 -203107.5677 2463.3364 0.0000 0.0000 52314.9547 -109171.0639 300.6548 -161486.0186 -108810.4221 300.0982 -121.7890 -89.3620 760217.0346 5.1000 5.0499 PRESSURE: 1165000 312.758 35.4117 -45.7943 35.4118 153 66.5047 -45.7937 66.5041 75.2861 GPRESSURE: 1165000 256.294 -47.1325 -8.50536 -7.26086 293.112 24.239 48.3392 136.961 92.4532 PRESSAVG: 1165000 53.6722 7.3565 -19.5375 7.35645 -48.7056 12.0003 -19.5376 12.0003 1.53942 GPRESSAVG: 1165000 54.4994 6.47051 -18.2522 8.69811 -49.1175 11.6545 -18.0863 12.2404 0.56728 TIMING: 1165000 CPU: 3689.73, 0.0032138/step Wall: 3689.73, 0.0032138/step, 3.42359 hours remaining, 237.140625 MB of memory in use. ENERGY: 1165000 3936.1718 20382.2352 14465.7794 248.3390 -203074.3325 2629.6409 0.0000 0.0000 51940.9636 -109471.2027 298.5054 -161412.1663 -109118.9894 299.6571 180.3479 213.9529 759247.8139 2.1687 1.9831 PRESSURE: 1165200 -111.195 -267.976 -129.036 -267.976 239.684 51.5389 -129.036 51.5394 270.657 GPRESSURE: 1165200 -10.4148 -238.407 -163.162 -206.357 302.7 113.309 -92.6863 3.58839 196.281 PRESSAVG: 1165200 11.9473 -5.65395 -44.023 -5.65397 25.3255 15.8192 -44.0231 15.8192 16.1201 GPRESSAVG: 1165200 11.5076 -4.0804 -44.0737 -6.55871 26.2554 17.4142 -46.6697 15.5772 15.8043 TIMING: 1165200 CPU: 3690.37, 0.00320674/step Wall: 3690.37, 0.00320674/step, 3.41589 hours remaining, 237.140625 MB of memory in use. ENERGY: 1165200 3976.8847 20512.1459 14456.4550 256.4293 -203242.2327 2614.0107 0.0000 0.0000 52202.3157 -109223.9915 300.0074 -161426.3072 -108858.0968 299.2243 133.0488 162.8555 760032.4664 17.7976 17.8558 PRESSURE: 1165400 337.679 -46.2174 -91.5949 -46.2169 -191.058 -250.34 -91.5956 -250.341 -45.0266 GPRESSURE: 1165400 337.229 -138.663 58.3965 38.4428 -142.442 -196.513 -200.896 -273.572 -16.7063 PRESSAVG: 1165400 85.4948 7.37344 -76.4036 7.37338 -57.3108 -49.8563 -76.4035 -49.8562 17.0945 GPRESSAVG: 1165400 84.9326 6.49809 -76.5954 9.08153 -58.2613 -51.9856 -76.5476 -49.7874 18.4599 TIMING: 1165400 CPU: 3691.01, 0.00320536/step Wall: 3691.01, 0.00320536/step, 3.41424 hours remaining, 237.140625 MB of memory in use. ENERGY: 1165400 3953.4902 20650.5741 14486.0208 243.0007 -202988.0313 2362.4521 0.0000 0.0000 51929.7229 -109362.7705 298.4408 -161292.4934 -109009.3988 299.4469 33.8650 59.3602 760817.6550 15.0929 15.0437 PRESSURE: 1165600 269.638 -90.2722 60.031 -90.2727 -47.8938 -215.437 60.0314 -215.437 -127.078 GPRESSURE: 1165600 439.429 -83.6701 64.5103 -88.6375 -129.521 -67.5603 -6.56845 -220.273 -120.098 PRESSAVG: 1165600 38.3387 3.2579 -42.0493 3.25788 -66.8895 -38.4615 -42.0492 -38.4614 15.7997 GPRESSAVG: 1165600 40.2096 3.50293 -40.6702 0.675493 -68.2496 -36.2404 -42.1559 -38.7788 15.0134 TIMING: 1165600 CPU: 3691.65, 0.00318487/step Wall: 3691.65, 0.00318487/step, 3.39224 hours remaining, 237.140625 MB of memory in use. ENERGY: 1165600 4003.4916 20563.1915 14512.9883 233.7063 -203411.5640 2556.6800 0.0000 0.0000 52285.2485 -109256.2578 300.4840 -161541.5063 -108893.4386 299.5107 31.5554 63.2702 759404.5311 -4.2504 -4.3422 PRESSURE: 1165800 286.257 89.9507 -141.446 89.9502 -10.4511 276.433 -141.446 276.434 597.733 GPRESSURE: 1165800 215.127 31.7152 -119.136 129.668 91.6903 269.134 -23.9768 286.09 628.987 PRESSAVG: 1165800 -5.13085 15.2984 -33.0691 15.2984 16.7815 -23.0151 -33.069 -23.015 -14.42 GPRESSAVG: 1165800 -6.82765 14.601 -33.6328 17.8719 17.0746 -25.54 -33.3331 -23.4697 -13.2745 TIMING: 1165800 CPU: 3692.29, 0.00319393/step Wall: 3692.29, 0.00319393/step, 3.40172 hours remaining, 237.140625 MB of memory in use. ENERGY: 1165800 3989.4199 20464.3688 14458.1948 249.4116 -203194.5836 2442.9105 0.0000 0.0000 52146.3833 -109443.8946 299.6860 -161590.2779 -109080.8459 299.4000 291.1795 311.9347 759855.0052 -0.9231 -1.0092 PRESSURE: 1166000 233.001 98.4655 35.9191 98.4661 -350.191 296.002 35.9192 296.003 -130.494 GPRESSURE: 1166000 252.442 159.342 21.1287 69.9711 -277.087 313.766 90.1278 260.198 -164.927 PRESSAVG: 1166000 33.2257 3.01589 -41.042 3.01586 -42.104 20.4263 -41.042 20.4263 26.9435 GPRESSAVG: 1166000 34.4818 4.11567 -41.2164 1.85415 -41.7169 20.6608 -38.1094 21.6103 25.7551 TIMING: 1166000 CPU: 3692.93, 0.00321301/step Wall: 3692.93, 0.00321301/step, 3.42186 hours remaining, 237.140625 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: 1166000 3937.0141 20550.6481 14501.9457 275.8606 -202996.5368 2421.3414 0.0000 0.0000 51836.4155 -109473.3116 297.9046 -161309.7271 -109110.8585 299.1770 -82.5610 -63.1910 762480.1812 6.0217 6.1733 PRESSURE: 1166200 -253.289 -180.113 -213.858 -180.113 -250.921 -238.364 -213.857 -238.363 175.379 GPRESSURE: 1166200 -142.908 -183.667 -242.875 27.9009 -207.625 -243.554 -272.733 -241.604 113.17 PRESSAVG: 1166200 -47.6841 51.2714 15.0095 51.2713 3.98181 -1.35415 15.0095 -1.35413 3.63217 GPRESSAVG: 1166200 -48.5277 50.1463 14.5799 51.9409 3.97958 1.27512 13.4071 -4.7809 3.98872 TIMING: 1166200 CPU: 3693.57, 0.0031904/step Wall: 3693.57, 0.0031904/step, 3.3976 hours remaining, 237.140625 MB of memory in use. ENERGY: 1166200 4069.6516 20526.9692 14490.7370 259.7897 -203775.1378 2997.9257 0.0000 0.0000 52043.5215 -109386.5430 299.0948 -161430.0645 -109025.8037 299.5696 -109.6104 -79.1212 761822.8979 -13.3567 -13.5198 PRESSURE: 1166400 -73.0422 91.5717 -46.9671 91.571 59.156 -18.8116 -46.9679 -18.8119 2.60366 GPRESSURE: 1166400 -106.941 163.637 -163.401 56.6181 144.939 34.2292 -44.1763 -60.6982 44.3752 PRESSAVG: 1166400 18.4027 38.6254 -5.21918 38.6254 14.428 -30.9947 -5.21906 -30.9946 7.0923 GPRESSAVG: 1166400 17.7697 39.0188 -3.85735 38.2159 14.9185 -31.633 -5.24313 -27.948 7.41974 TIMING: 1166400 CPU: 3694.21, 0.00318838/step Wall: 3694.21, 0.00318838/step, 3.39527 hours remaining, 237.140625 MB of memory in use. ENERGY: 1166400 4001.9532 20563.7079 14424.3007 264.9404 -203669.0964 2738.2047 0.0000 0.0000 52209.1639 -109466.8258 300.0468 -161675.9897 -109105.3131 299.1544 -3.7608 27.4575 760995.8422 13.3077 13.3693 PRESSURE: 1166600 -13.8352 -75.477 -8.54873 -75.478 -329.612 -64.1626 -8.54949 -64.1626 -84.8796 GPRESSURE: 1166600 -14.7143 49.8077 27.6899 -91.5016 -225.648 -74.0708 39.8723 0.407077 -94.9551 PRESSAVG: 1166600 59.9444 18.9385 -17.2918 18.9385 9.95847 53.9814 -17.2918 53.9813 -8.38246 GPRESSAVG: 1166600 59.9919 20.4856 -18.1123 17.7923 10.247 55.1368 -18.1794 52.0214 -8.54635 TIMING: 1166600 CPU: 3694.84, 0.00319426/step Wall: 3694.84, 0.00319426/step, 3.40135 hours remaining, 237.140625 MB of memory in use. ENERGY: 1166600 3992.4498 20527.3862 14558.2524 256.0542 -203387.1114 2585.5597 0.0000 0.0000 52150.4596 -109316.9495 299.7094 -161467.4090 -108946.9869 300.0961 -142.7756 -111.7724 760768.9647 20.5068 20.5642 PRESSURE: 1166800 -186 -57.3153 -56.9312 -57.315 102.556 61.6611 -56.9306 61.6605 -155.251 GPRESSURE: 1166800 -162.584 -57.4446 -27.1905 -25.7129 137.527 -21.3238 -84.2758 61.0307 -132.866 PRESSAVG: 1166800 20.0374 -33.6408 -33.3161 -33.6408 23.7633 13.22 -33.3161 13.22 -27.5379 GPRESSAVG: 1166800 20.1543 -34.823 -32.2295 -32.3007 22.8354 11.3001 -33.0258 14.74 -26.843 TIMING: 1166800 CPU: 3695.48, 0.00317974/step Wall: 3695.48, 0.00317974/step, 3.38572 hours remaining, 237.140625 MB of memory in use. ENERGY: 1166800 3963.5958 20609.6042 14453.9919 256.4820 -203463.5115 2612.3708 0.0000 0.0000 52312.8820 -109254.5847 300.6429 -161567.4667 -108899.5827 300.2725 -79.5649 -52.6408 761446.7671 5.4209 5.3822 PRESSURE: 1167000 166.981 -68.7058 22.8638 -68.7067 -211.88 15.531 22.8636 15.5322 152.524 GPRESSURE: 1167000 225.068 -82.8482 70.0876 -131.063 -156.918 -14.9888 26.6956 66.0938 117.455 PRESSAVG: 1167000 -13.3382 21.0311 -34.0079 21.0311 -6.7702 38.4444 -34.0079 38.4446 19.4396 GPRESSAVG: 1167000 -12.2871 20.489 -34.0524 19.6562 -7.66928 39.3165 -32.8367 37.4717 18.9739 TIMING: 1167000 CPU: 3696.11, 0.00316397/step Wall: 3696.11, 0.00316397/step, 3.36875 hours remaining, 237.140625 MB of memory in use. ENERGY: 1167000 4082.9437 20633.2943 14503.7755 264.1542 -203624.9563 2756.3213 0.0000 0.0000 51936.7655 -109447.7019 298.4813 -161384.4674 -109080.9051 299.8243 35.8749 61.8686 761148.0312 -0.2229 -0.3275 PRESSURE: 1167200 79.7745 -79.7307 40.8094 -79.731 52.6527 -391.056 40.8095 -391.055 -107.648 GPRESSURE: 1167200 261.78 -132.363 -6.67979 -76.2864 -16.8365 -437.354 -47.8738 -338.439 -119.716 PRESSAVG: 1167200 38.9868 -22.5829 -14.9191 -22.5828 -4.76563 -37.4576 -14.9191 -37.4576 -10.9775 GPRESSAVG: 1167200 39.301 -21.8276 -14.7319 -23.1828 -4.37913 -38.5607 -18.1897 -36.5295 -11.5135 TIMING: 1167200 CPU: 3696.75, 0.0031771/step Wall: 3696.75, 0.0031771/step, 3.38255 hours remaining, 237.140625 MB of memory in use. ENERGY: 1167200 3959.0646 20547.2644 14475.4340 249.9988 -203853.7159 2911.9635 0.0000 0.0000 52241.6365 -109468.3540 300.2334 -161709.9906 -109104.2152 299.4026 8.2597 41.7425 760577.5718 7.7479 7.8028 PRESSURE: 1167400 -280.639 -101.037 92.7173 -101.038 31.4072 47.1501 92.7173 47.149 305.543 GPRESSURE: 1167400 -200.74 -96.1544 28.9168 -193.525 54.1036 28.7625 129.583 48.1399 284.437 PRESSAVG: 1167400 24.6162 4.61638 11.5711 4.61636 -42.4857 16.9997 11.5712 16.9997 7.43521 GPRESSAVG: 1167400 24.1472 4.43105 9.72215 6.1506 -42.7105 16.0148 13.3586 18.0565 8.32373 TIMING: 1167400 CPU: 3697.39, 0.00318737/step Wall: 3697.39, 0.00318737/step, 3.39331 hours remaining, 237.140625 MB of memory in use. ENERGY: 1167400 3957.7683 20680.7002 14504.1847 231.5689 -203396.6369 2706.4295 0.0000 0.0000 52071.1523 -109244.8331 299.2536 -161315.9854 -108879.0420 299.5096 18.7707 45.9334 762695.6019 -3.4781 -3.4132 PRESSURE: 1167600 -81.1541 100.57 135.501 100.571 -9.52208 -82.8202 135.501 -82.8217 -511.862 GPRESSURE: 1167600 -138.841 141.148 168.91 211.059 -7.40026 -125.654 6.94757 -133.567 -361.54 PRESSAVG: 1167600 3.78902 15.9758 6.04451 15.9758 11.2795 31.1384 6.04451 31.1383 -32.4908 GPRESSAVG: 1167600 2.20987 16.3094 6.67199 15.2654 12.9503 32.9817 6.00335 30.1823 -32.8225 TIMING: 1167600 CPU: 3698.02, 0.00319278/step Wall: 3698.02, 0.00319278/step, 3.39889 hours remaining, 237.140625 MB of memory in use. ENERGY: 1167600 3949.2629 20698.0235 14440.0245 266.3749 -202737.8754 2187.9215 0.0000 0.0000 52184.6710 -109011.5972 299.9060 -161196.2682 -108647.2913 300.3447 -200.8461 -169.2604 763062.0813 -5.8074 -5.8874 PRESSURE: 1167800 -340.576 -266.685 35.7076 -266.685 314.512 114.361 35.7081 114.362 154.362 GPRESSURE: 1167800 -188.3 -189.797 -1.52709 -183.831 271.044 86.1661 16.1522 5.96182 132.745 PRESSAVG: 1167800 -76.6338 -3.54075 3.27555 -3.5407 60.7913 38.0902 3.2756 38.0902 4.68417 GPRESSAVG: 1167800 -74.8568 -2.5071 3.86946 -2.39305 58.8087 37.6841 3.55021 36.0509 5.18131 TIMING: 1167800 CPU: 3698.66, 0.00316835/step Wall: 3698.66, 0.00316835/step, 3.37271 hours remaining, 237.140625 MB of memory in use. ENERGY: 1167800 4007.3656 20431.9611 14481.1665 235.5184 -203206.2129 2680.0666 0.0000 0.0000 52284.5150 -109085.6197 300.4798 -161370.1347 -108728.1180 299.7815 42.7660 71.8295 763086.6063 -3.7194 -3.6222 PRESSURE: 1168000 -354.901 -90.8269 -144.323 -90.826 -161.507 68.6669 -144.323 68.667 -115.2 GPRESSURE: 1168000 -360.965 -57.9755 -187.464 -157.207 -59.3901 50.4004 -51.6903 155.947 -117.407 PRESSAVG: 1168000 -0.104799 -14.7405 7.27101 -14.7405 -14.7833 -3.2658 7.27104 -3.26583 -30.8667 GPRESSAVG: 1168000 -0.936572 -15.9623 6.83656 -14.5869 -13.2112 -1.6775 7.45477 -1.59597 -31.2875 TIMING: 1168000 CPU: 3699.3, 0.00319173/step Wall: 3699.3, 0.00319172/step, 3.39741 hours remaining, 237.140625 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: 1168000 4014.2212 20466.1897 14497.6884 243.6507 -202629.1691 2218.8605 0.0000 0.0000 52168.8603 -109019.6984 299.8152 -161188.5588 -108655.0475 300.1649 -210.5357 -179.2542 761506.0200 -15.2516 -15.1451 PRESSURE: 1168200 26.5388 28.3141 -53.7712 28.3146 -137.306 -33.6432 -53.772 -33.6415 242.559 GPRESSURE: 1168200 6.2961 -44.5285 38.7647 -76.4875 -24.7656 -110.768 -47.2266 -66.7366 240.489 PRESSAVG: 1168200 -10.7879 -14.5228 19.8975 -14.5228 -7.32555 -75.2653 19.8975 -75.2653 29.0315 GPRESSAVG: 1168200 -9.26057 -15.2555 18.7411 -15.2868 -7.54941 -76.5953 21.3769 -73.7793 28.1835 TIMING: 1168200 CPU: 3699.93, 0.0031631/step Wall: 3699.93, 0.0031631/step, 3.36677 hours remaining, 237.140625 MB of memory in use. ENERGY: 1168200 3950.6720 20645.8694 14504.8026 253.8109 -202841.7987 2453.8213 0.0000 0.0000 52088.4243 -108944.3983 299.3529 -161032.8226 -108582.1760 299.9346 43.9308 74.0064 761680.2127 3.6393 3.7912 LDB: ============= START OF LOAD BALANCING ============== 3712.38 LDB: ============== END OF LOAD BALANCING =============== 3712.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3712.39 LDB: ============= START OF LOAD BALANCING ============== 3712.7 LDB: Largest compute 7076 load 0.034874 is 17.9% of average load 0.195103 LDB: Average compute 0.004410 is 2.3% of average load 0.195103 LDB: TIME 3712.71 LOAD: AVG 0.195103 MAX 0.213067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.629 MB LDB: TIME 3712.71 LOAD: AVG 0.195103 MAX 0.213067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: TIME 3712.71 LOAD: AVG 0.195103 MAX 0.213067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: ============== END OF LOAD BALANCING =============== 3712.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3712.71 PRESSURE: 1168400 -122.338 -107.707 -157.723 -107.707 -167.569 -52.3709 -157.723 -52.3706 189.702 GPRESSURE: 1168400 -55.2213 117.021 -137.545 -102.353 -96.231 -32.3189 -63.2574 -108.366 131.952 PRESSAVG: 1168400 -36.5645 5.94165 -46.4522 5.94159 11.8557 2.24592 -46.4522 2.24594 9.74339 GPRESSAVG: 1168400 -37.9411 7.32702 -46.2345 3.70653 11.0363 3.46679 -48.1241 0.172144 12.0516 TIMING: 1168400 CPU: 3700.58, 0.00324908/step Wall: 3700.58, 0.00324908/step, 3.45811 hours remaining, 236.628906 MB of memory in use. ENERGY: 1168400 3990.9964 20471.4080 14488.2295 242.7156 -202559.1346 2303.2786 0.0000 0.0000 52145.8668 -108916.6398 299.6830 -161062.5066 -108549.4157 300.6600 -33.4020 -6.4999 763923.0134 -4.9885 -4.9511 PRESSURE: 1168600 -58.2174 58.1253 -206.093 58.1258 374.949 92.3595 -206.094 92.3603 -45.3106 GPRESSURE: 1168600 20.3292 108.422 -155.819 107.995 381.467 -16.3516 -180.369 94.0143 -43.0235 PRESSAVG: 1168600 -19.6219 8.37696 -36.9595 8.37697 -6.64999 3.93126 -36.9595 3.93125 3.65873 GPRESSAVG: 1168600 -19.2615 9.06626 -35.5734 10.2798 -5.77435 2.23785 -35.499 4.8286 2.04716 TIMING: 1168600 CPU: 3701.21, 0.00316597/step Wall: 3701.21, 0.00316597/step, 3.36947 hours remaining, 236.628906 MB of memory in use. ENERGY: 1168600 3962.0569 20701.5474 14421.2490 242.4810 -202874.2601 2474.5395 0.0000 0.0000 51951.1242 -109121.2621 298.5638 -161072.3863 -108756.9719 300.0746 90.4737 119.5908 763033.8905 -7.5377 -7.6629 PRESSURE: 1168800 56.7729 173.002 -182.907 173.002 39.8412 -6.49579 -182.908 -6.49624 -13.675 GPRESSURE: 1168800 63.7517 161.347 -198.462 232.172 75.7393 14.9113 -182.199 13.5782 32.4637 PRESSAVG: 1168800 -11.6824 -27.9583 -28.176 -27.9584 33.5347 8.24161 -28.176 8.24167 -2.03368 GPRESSAVG: 1168800 -12.0211 -28.2634 -29.2974 -27.5719 34.4504 8.92197 -27.349 8.28227 -2.09514 TIMING: 1168800 CPU: 3701.85, 0.00318192/step Wall: 3701.85, 0.00318192/step, 3.38627 hours remaining, 236.628906 MB of memory in use. ENERGY: 1168800 3964.3551 20519.6834 14499.0407 252.0909 -203093.0735 2539.0244 0.0000 0.0000 52129.6313 -109189.2477 299.5897 -161318.8790 -108830.6553 299.9953 27.6464 57.3182 761035.4174 6.6062 6.7781 PRESSURE: 1169000 -240.658 133.348 33.2888 133.349 70.6762 110.107 33.2883 110.107 -29.5598 GPRESSURE: 1169000 -180.784 41.8913 -57.1699 73.3805 54.8362 98.3897 101.095 84.8865 -4.20674 PRESSAVG: 1169000 -26.0029 19.8493 -18.8809 19.8493 13.1847 -24.4596 -18.8809 -24.4596 -16.1988 GPRESSAVG: 1169000 -23.6375 20.1863 -18.814 20.6457 10.8508 -27.0863 -19.6214 -22.1217 -16.0211 TIMING: 1169000 CPU: 3702.48, 0.00317997/step Wall: 3702.48, 0.00317997/step, 3.38402 hours remaining, 236.628906 MB of memory in use. ENERGY: 1169000 4010.2229 20570.5060 14453.3355 249.5284 -202942.4122 2333.0803 0.0000 0.0000 52140.5296 -109185.2094 299.6523 -161325.7391 -108819.3504 299.9396 -66.5139 -43.3849 761556.4945 -9.6724 -9.6026 PRESSURE: 1169200 202.384 -117.779 61.2152 -117.779 -74.8652 242.792 61.2144 242.791 64.4975 GPRESSURE: 1169200 116.942 -17.7461 43.601 -150.512 60.2968 203.954 96.5889 174.899 108.594 PRESSAVG: 1169200 30.6626 -3.10528 18.7671 -3.10534 6.66869 31.6403 18.7671 31.6403 -1.23827 GPRESSAVG: 1169200 28.1303 -2.79198 20.4632 -3.52696 8.59179 33.8079 17.9647 29.7268 -0.435494 TIMING: 1169200 CPU: 3703.12, 0.00317856/step Wall: 3703.12, 0.00317856/step, 3.38234 hours remaining, 236.628906 MB of memory in use. ENERGY: 1169200 4049.1721 20514.9225 14484.7908 237.3050 -202937.6967 2335.1310 0.0000 0.0000 52153.6665 -109162.7087 299.7278 -161316.3752 -108788.6198 300.0487 64.0055 95.2775 761943.6077 12.0310 12.0955 PRESSURE: 1169400 320.864 45.1799 70.1325 45.1807 -95.5626 161.214 70.1332 161.214 -163.052 GPRESSURE: 1169400 324.556 41.9079 35.8696 -3.00461 -47.6878 187.105 -50.8704 164.02 -136.144 PRESSAVG: 1169400 -2.15058 1.99589 13.9827 1.9959 -22.5852 30.2178 13.9827 30.2179 21.5125 GPRESSAVG: 1169400 -0.913503 1.81829 11.5526 1.66631 -22.6372 30.2298 15.8026 29.0991 20.0063 TIMING: 1169400 CPU: 3703.76, 0.00318991/step Wall: 3703.76, 0.00318991/step, 3.39424 hours remaining, 236.628906 MB of memory in use. ENERGY: 1169400 3986.2853 20710.8046 14500.3079 234.6098 -203016.6083 2491.1028 0.0000 0.0000 51897.9705 -109195.5274 298.2583 -161093.4979 -108834.8615 299.8015 20.7499 46.9081 763435.6574 -1.0744 -1.1814 PRESSURE: 1169600 -312.897 54.1842 222.736 54.1834 -221.003 43.6031 222.736 43.6025 -293.218 GPRESSURE: 1169600 -257.994 -21.6902 205.322 142.621 -167.887 125.614 148.893 42.6374 -324.124 PRESSAVG: 1169600 5.10815 25.5781 44.6577 25.5781 -46.1574 74.8921 44.6577 74.892 -1.99846 GPRESSAVG: 1169600 4.01211 25.5927 45.2998 25.2409 -46.4576 76.3881 41.4414 77.149 -0.782987 TIMING: 1169600 CPU: 3704.39, 0.00316185/step Wall: 3704.39, 0.00316185/step, 3.3642 hours remaining, 236.628906 MB of memory in use. ENERGY: 1169600 3969.9107 20465.4307 14497.3816 256.4565 -203002.4317 2507.6528 0.0000 0.0000 52202.4284 -109103.1709 300.0081 -161305.5993 -108738.7967 299.3368 -275.7058 -250.0019 763113.6812 -14.3492 -14.4095 PRESSURE: 1169800 145.913 130.7 27.0865 130.699 -322.484 -95.739 27.0859 -95.7398 451.369 GPRESSURE: 1169800 190.523 173.888 77.6546 172.019 -253.697 -35.1215 44.8844 -31.1123 428.182 PRESSAVG: 1169800 37.5754 7.90019 -2.61571 7.90017 1.87159 -15.6635 -2.61571 -15.6635 1.74523 GPRESSAVG: 1169800 38.1315 8.26303 -2.78342 7.50024 2.93366 -15.8493 -2.08784 -17.2737 1.01476 TIMING: 1169800 CPU: 3705.02, 0.00317033/step Wall: 3705.02, 0.00317033/step, 3.37305 hours remaining, 236.628906 MB of memory in use. ENERGY: 1169800 3975.6966 20450.0853 14578.5043 243.4980 -203258.2038 2642.6090 0.0000 0.0000 52049.9913 -109317.8194 299.1320 -161367.8107 -108947.7707 299.3579 91.5993 121.6693 762810.4501 13.7307 14.0266 PRESSURE: 1170000 196.01 70.4529 19.4829 70.453 26.3214 80.2937 19.4816 80.2937 160.632 GPRESSURE: 1170000 190.238 89.3379 55.7512 64.6194 151.302 108.085 -77.3295 -22.0493 130.022 PRESSAVG: 1170000 -6.52738 4.13726 0.746741 4.13719 -9.48695 37.4735 0.746713 37.4735 7.8362 GPRESSAVG: 1170000 -7.41492 3.13385 1.35787 5.34966 -8.64771 37.6733 1.70775 38.1373 8.29989 TIMING: 1170000 CPU: 3705.66, 0.00319379/step Wall: 3705.66, 0.00319379/step, 3.39784 hours remaining, 236.628906 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: 1170000 4076.5879 20455.0206 14466.4572 235.1958 -203140.0995 2790.4667 0.0000 0.0000 51819.1924 -109297.1789 297.8056 -161116.3713 -108940.9414 299.4499 127.6544 157.1872 761949.3170 -2.7260 -2.5876 PRESSURE: 1170200 -155.695 43.6186 -98.1761 43.6186 -340.773 -211.745 -98.1758 -211.745 -100.723 GPRESSURE: 1170200 -152.506 16.4752 -63.7228 -147.593 -361.3 -239.985 -59.3002 -230.328 16.9179 PRESSAVG: 1170200 -2.76377 9.73172 13.2575 9.73172 -29.7523 22.8067 13.2575 22.8068 -12.5987 GPRESSAVG: 1170200 -1.11155 8.74506 11.899 9.40656 -31.7743 21.6994 13.0449 22.9658 -12.1192 TIMING: 1170200 CPU: 3706.3, 0.0031837/step Wall: 3706.3, 0.0031837/step, 3.38692 hours remaining, 236.628906 MB of memory in use. ENERGY: 1170200 3940.3695 20499.4696 14452.5857 263.7870 -203015.6628 2402.1585 0.0000 0.0000 52037.3471 -109419.9454 299.0593 -161457.2925 -109061.1563 299.2001 -199.0637 -165.6295 762817.7633 -15.0383 -15.0017 PRESSURE: 1170400 -403.695 101.577 255.001 101.576 -261.957 -110.816 255.002 -110.816 -556.754 GPRESSURE: 1170400 -372.041 97.1497 235.105 71.6281 -264.352 -40.0326 260.311 -149.309 -465.706 PRESSAVG: 1170400 46.5756 45.7601 -12.9144 45.7601 7.86885 38.0299 -12.9144 38.0299 8.3422 GPRESSAVG: 1170400 46.5644 44.8635 -11.6795 47.0519 7.97576 39.9457 -12.3789 36.3198 7.99797 TIMING: 1170400 CPU: 3706.93, 0.00315966/step Wall: 3706.93, 0.00315967/step, 3.36118 hours remaining, 236.628906 MB of memory in use. ENERGY: 1170400 3958.0946 20489.7693 14520.2764 252.8159 -202776.6791 2308.8922 0.0000 0.0000 51960.4373 -109286.3933 298.6173 -161246.8305 -108931.4145 299.2109 -407.4685 -367.3661 761128.1961 20.9289 20.8460 PRESSURE: 1170600 -177.059 -206.198 143.176 -206.198 103.807 181.454 143.176 181.454 -282.665 GPRESSURE: 1170600 -164.817 -209.269 178.847 -234.664 206.482 140.103 188.384 182.266 -316.992 PRESSAVG: 1170600 -4.97704 31.4521 59.6882 31.452 -17.1384 12.475 59.6882 12.475 -9.13054 GPRESSAVG: 1170600 -6.80395 33.3654 59.1932 30.7488 -15.3562 10.0916 60.0211 13.8841 -8.83019 TIMING: 1170600 CPU: 3707.56, 0.00314648/step Wall: 3707.56, 0.00314648/step, 3.34698 hours remaining, 236.628906 MB of memory in use. ENERGY: 1170600 3941.0859 20589.3016 14505.2413 243.7751 -203374.4928 2543.0475 0.0000 0.0000 52290.5844 -109261.4571 300.5147 -161552.0415 -108899.4899 299.5674 -118.6387 -91.7757 762306.4264 -10.4153 -10.3301 PRESSURE: 1170800 -295.372 133.691 36.2772 133.691 -101.451 14.4769 36.2781 14.4769 348.11 GPRESSURE: 1170800 -243.632 174.527 116.676 139.385 -70.3123 84.054 -44.9815 -61.9289 336.145 PRESSAVG: 1170800 28.9322 -5.40044 35.8675 -5.40038 11.4821 28.0307 35.8675 28.0307 26.5893 GPRESSAVG: 1170800 29.5505 -9.15942 36.7882 -4.34587 11.4213 29.3301 36.646 27.7027 26.3873 TIMING: 1170800 CPU: 3708.19, 0.00316445/step Wall: 3708.19, 0.00316445/step, 3.36592 hours remaining, 236.628906 MB of memory in use. ENERGY: 1170800 3972.7603 20525.1752 14544.4967 237.2128 -203175.6729 2490.6641 0.0000 0.0000 52308.2006 -109097.1632 300.6159 -161405.3638 -108736.9634 300.1327 -16.2378 7.4005 761965.9764 22.3346 22.4531 PRESSURE: 1171000 129.074 44.5645 48.1533 44.5645 165.698 117.336 48.1534 117.336 -415.449 GPRESSURE: 1171000 200.615 14.4209 59.9915 73.149 95.9722 35.6691 78.9453 108.057 -359.895 PRESSAVG: 1171000 43.0636 -12.6814 -19.482 -12.6814 -79.0369 -4.35932 -19.482 -4.35926 -15.6174 GPRESSAVG: 1171000 42.9643 -8.87377 -19.524 -16.2628 -79.3446 -6.94539 -19.3717 -3.65257 -15.6003 TIMING: 1171000 CPU: 3708.83, 0.00316402/step Wall: 3708.83, 0.00316402/step, 3.36529 hours remaining, 236.628906 MB of memory in use. ENERGY: 1171000 4027.2451 20509.2609 14450.0513 254.2536 -203216.3768 2526.2281 0.0000 0.0000 52362.6542 -109086.6836 300.9289 -161449.3378 -108723.0462 300.3994 -40.2256 -21.1025 760738.2889 -17.1969 -17.3269 PRESSURE: 1171200 244.405 -10.3406 -52.8066 -10.3406 -109.311 -135.538 -52.807 -135.537 286.596 GPRESSURE: 1171200 343.136 14.6999 -42.2634 39.3188 -74.1444 -155.055 -139.323 -54.3972 237.659 PRESSAVG: 1171200 53.9161 37.0306 -24.6668 37.0306 -38.1686 -34.9458 -24.6667 -34.9458 -5.92714 GPRESSAVG: 1171200 53.9527 35.3205 -25.1565 39.3316 -37.4436 -35.1262 -23.7942 -34.2874 -6.27469 TIMING: 1171200 CPU: 3709.46, 0.00316454/step Wall: 3709.46, 0.00316454/step, 3.36566 hours remaining, 236.628906 MB of memory in use. ENERGY: 1171200 4035.7016 20632.4185 14394.0650 235.4677 -203150.4625 2725.7460 0.0000 0.0000 51904.2859 -109222.7778 298.2946 -161127.0637 -108864.2327 299.8633 140.5631 168.8837 762110.1133 3.2735 3.4115 PRESSURE: 1171400 380.766 -76.1213 -83.1349 -76.1207 101.653 154.928 -83.1346 154.927 505.374 GPRESSURE: 1171400 420.975 -26.8183 13.0887 -117.546 91.5745 169.29 3.28494 127.376 559.959 PRESSAVG: 1171400 13.2295 10.8805 -10.6934 10.8805 -8.27268 7.95663 -10.6934 7.9567 21.6508 GPRESSAVG: 1171400 13.892 12.3174 -10.7552 9.95544 -9.72982 10.155 -13.4213 6.22443 22.3441 TIMING: 1171400 CPU: 3710.09, 0.00315464/step Wall: 3710.09, 0.00315464/step, 3.35496 hours remaining, 236.628906 MB of memory in use. ENERGY: 1171400 3885.4759 20451.4666 14448.5944 230.1907 -202991.5064 2537.6136 0.0000 0.0000 52055.6166 -109382.5486 299.1643 -161438.1653 -109013.3686 299.4208 329.2643 357.5029 758869.2369 8.8692 8.8354 PRESSURE: 1171600 -10.8937 91.9588 75.493 91.9588 -83.2861 -73.7098 75.4927 -73.71 89.1411 GPRESSURE: 1171600 -79.2508 36.3968 107.594 25.8124 -44.3617 -50.1834 17.9339 -108.567 195.481 PRESSAVG: 1171600 42.6245 -56.284 -1.2766 -56.284 -42.5027 55.3973 -1.27655 55.3973 3.27223 GPRESSAVG: 1171600 41.9007 -54.9138 -0.819369 -58.0382 -41.5272 53.6291 -0.664786 57.1461 3.09656 TIMING: 1171600 CPU: 3710.73, 0.00320389/step Wall: 3710.73, 0.00320389/step, 3.40715 hours remaining, 236.628906 MB of memory in use. ENERGY: 1171600 4007.6612 20234.0599 14514.4563 264.8996 -203137.1869 2398.7103 0.0000 0.0000 52268.8078 -109448.5918 300.3896 -161717.3995 -109087.8479 299.5068 -1.6796 23.9563 760986.0844 1.1314 1.1567 PRESSURE: 1171800 -263.664 -208.931 129.207 -208.929 4.88268 -92.9261 129.207 -92.9272 -89.2299 GPRESSURE: 1171800 -176.456 -187.551 79.506 -131.911 21.3674 -67.7333 35.6488 -11.4569 -110.087 PRESSAVG: 1171800 27.0662 61.5227 -9.62911 61.5228 -0.577926 79.2164 -9.62909 79.2164 -25.336 GPRESSAVG: 1171800 25.8823 59.3777 -9.45519 61.8963 -0.401418 79.4808 -7.24139 76.5954 -24.3471 TIMING: 1171800 CPU: 3711.37, 0.00317299/step Wall: 3711.37, 0.00317299/step, 3.37412 hours remaining, 236.628906 MB of memory in use. ENERGY: 1171800 4000.8974 20528.5546 14439.2180 247.5167 -202693.3375 2180.1358 0.0000 0.0000 51898.8266 -109398.1884 298.2633 -161297.0150 -109045.8470 298.9503 -116.0038 -88.3920 761396.6508 0.3841 0.3779 PRESSURE: 1172000 -257.249 26.4055 12.9584 26.4048 -123.306 -36.4098 12.959 -36.4096 94.0822 GPRESSURE: 1172000 -82.2956 2.4616 -30.7316 57.2992 -184.911 -151.934 60.9098 109.874 47.7214 PRESSAVG: 1172000 29.6174 40.7261 8.86931 40.7261 -29.4132 11.1741 8.86929 11.1741 6.9668 GPRESSAVG: 1172000 32.3577 42.3408 8.71459 41.3177 -30.695 11.8626 6.58009 10.6229 5.90495 TIMING: 1172000 CPU: 3712, 0.00316863/step Wall: 3712, 0.00316863/step, 3.36931 hours remaining, 236.628906 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: 1172000 3877.6024 20569.1561 14543.5253 239.7038 -202951.2653 2239.5584 0.0000 0.0000 51977.7789 -109503.9404 298.7170 -161481.7193 -109145.7203 299.3545 -95.4910 -73.1617 761294.3311 2.3903 2.5225 PRESSURE: 1172200 28.0089 -57.8224 -89.2968 -57.8227 -85.6837 -43.9366 -89.2971 -43.9375 -72.1853 GPRESSURE: 1172200 40.4693 -30.7722 -63.0425 -128.398 42.7312 -63.7628 46.6449 41.8095 -130.054 PRESSAVG: 1172200 53.7446 -26.5952 9.71377 -26.5952 -68.2172 19.7806 9.71374 19.7806 -9.90614 GPRESSAVG: 1172200 52.5305 -27.518 8.64029 -26.768 -66.4619 18.6407 11.3171 22.9072 -10.426 TIMING: 1172200 CPU: 3712.63, 0.00316755/step Wall: 3712.63, 0.00316754/step, 3.36798 hours remaining, 236.628906 MB of memory in use. ENERGY: 1172200 3901.7980 20531.0850 14465.3738 243.0688 -203651.1290 2802.0607 0.0000 0.0000 52210.7134 -109497.0294 300.0557 -161707.7428 -109125.9392 299.1634 -43.2867 -15.6179 762309.4794 -8.1263 -8.1191 LDB: ============= START OF LOAD BALANCING ============== 3725.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3725.09 LDB: =============== DONE WITH MIGRATION ================ 3725.09 LDB: ============= START OF LOAD BALANCING ============== 3725.41 LDB: Largest compute 7068 load 0.034094 is 17.5% of average load 0.195093 LDB: Average compute 0.004403 is 2.3% of average load 0.195093 LDB: TIME 3725.41 LOAD: AVG 0.195093 MAX 0.21592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.652 MB LDB: TIME 3725.41 LOAD: AVG 0.195093 MAX 0.21592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: TIME 3725.41 LOAD: AVG 0.195093 MAX 0.21592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: ============== END OF LOAD BALANCING =============== 3725.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3725.42 PRESSURE: 1172400 29.746 -46.1901 -28.0243 -46.191 97.6548 -83.2177 -28.0249 -83.2183 -123.173 GPRESSURE: 1172400 94.5234 5.82785 -39.2321 1.80024 117.829 -12.9215 -67.1635 -32.5532 -122.486 PRESSAVG: 1172400 -14.9353 -77.8303 -8.69757 -77.8303 4.92805 13.1617 -8.69757 13.1617 -22.0328 GPRESSAVG: 1172400 -14.9086 -79.4374 -7.86475 -76.9191 4.36469 13.7439 -7.06592 13.7935 -21.594 TIMING: 1172400 CPU: 3713.28, 0.00324492/step Wall: 3713.28, 0.00324492/step, 3.45007 hours remaining, 237.910156 MB of memory in use. ENERGY: 1172400 4027.7988 20559.1453 14398.9867 235.7802 -203751.4283 3066.1805 0.0000 0.0000 51888.4915 -109575.0453 298.2039 -161463.5368 -109223.6739 299.2678 1.4094 29.9553 762273.7742 -10.6800 -10.7126 PRESSURE: 1172600 -222.354 -318.994 50.8452 -318.993 -129.549 30.0395 50.8459 30.0395 -192.039 GPRESSURE: 1172600 -129.863 -261.732 78.1463 -198.61 -139.312 13.0727 -6.27541 56.413 -193.233 PRESSAVG: 1172600 15.1032 -50.0026 13.1597 -50.0026 19.8645 35.8443 13.1597 35.8443 -1.28397 GPRESSAVG: 1172600 15.1016 -47.5516 13.5348 -48.8727 19.8706 35.6045 11.3035 36.1621 -1.25452 TIMING: 1172600 CPU: 3713.91, 0.00315475/step Wall: 3713.91, 0.00315475/step, 3.35402 hours remaining, 237.976562 MB of memory in use. ENERGY: 1172600 4003.1683 20346.7998 14481.1243 239.3668 -203005.8296 2561.5051 0.0000 0.0000 52048.7300 -109325.1353 299.1248 -161373.8653 -108961.3239 298.8698 -181.3140 -154.1360 762904.6265 11.2279 11.2392 PRESSURE: 1172800 20.859 -124.186 -269.002 -124.186 -42.9357 -112.188 -269.002 -112.188 -132.882 GPRESSURE: 1172800 39.9304 -125.977 -247.403 -107.941 -60.2501 -5.10506 -137.354 9.83115 -50.0975 PRESSAVG: 1172800 16.5001 -65.7843 9.57392 -65.7843 12.0027 33.0063 9.57391 33.0063 -22.9291 GPRESSAVG: 1172800 15.3537 -67.1752 9.21845 -65.766 11.9075 33.6356 10.0731 31.1985 -22.1333 TIMING: 1172800 CPU: 3714.55, 0.00316699/step Wall: 3714.55, 0.00316699/step, 3.36687 hours remaining, 237.976562 MB of memory in use. ENERGY: 1172800 3972.6124 20458.9157 14510.3211 233.4097 -203096.1172 2504.1139 0.0000 0.0000 52076.9555 -109339.7890 299.2870 -161416.7445 -108976.5500 298.8109 -51.6528 -23.4724 762071.4903 1.8579 1.7093 PRESSURE: 1173000 -146.777 -53.9345 26.5696 -53.9349 -68.0379 153.397 26.5698 153.396 13.6335 GPRESSURE: 1173000 -86.7912 -39.8902 -30.1403 -44.5137 -19.9945 138.218 32.9274 229.347 -13.4061 PRESSAVG: 1173000 -52.3711 -60.5628 -38.6106 -60.5628 47.1272 28.4972 -38.6106 28.4973 3.73247 GPRESSAVG: 1173000 -52.2963 -59.4227 -38.7591 -63.7638 47.3175 28.2062 -39.4148 27.8144 4.00203 TIMING: 1173000 CPU: 3715.18, 0.00317098/step Wall: 3715.18, 0.00317098/step, 3.37093 hours remaining, 237.976562 MB of memory in use. ENERGY: 1173000 3992.8345 20477.5629 14471.3693 246.8449 -203257.3472 2604.1577 0.0000 0.0000 52009.2636 -109455.3144 298.8980 -161464.5779 -109096.0220 298.9361 -67.0606 -40.0639 761745.1689 -0.5038 -0.3256 PRESSURE: 1173200 367.534 -159.151 161.507 -159.151 -263.483 -140.397 161.506 -140.397 107.204 GPRESSURE: 1173200 291.286 -293.481 275.032 -162.017 -179.509 -212.454 44.596 -171.598 185.44 PRESSAVG: 1173200 21.2624 -21.5407 25.3279 -21.5408 -34.7266 52.0499 25.3279 52.0499 0.70856 GPRESSAVG: 1173200 22.2671 -25.5993 25.59 -18.3852 -34.943 52.1785 26.1569 53.1578 0.00172537 TIMING: 1173200 CPU: 3715.81, 0.00315682/step Wall: 3715.81, 0.00315682/step, 3.3557 hours remaining, 237.976562 MB of memory in use. ENERGY: 1173200 3991.5664 20495.9407 14429.6710 237.5667 -203383.0591 2705.6795 0.0000 0.0000 52107.9729 -109414.6618 299.4652 -161522.6348 -109054.5179 298.8740 70.4186 99.0724 762706.2243 -4.2519 -4.2247 PRESSURE: 1173400 -376.906 -172.709 11.525 -172.709 -511.31 23.1194 11.5246 23.118 17.3544 GPRESSURE: 1173400 -271.963 -117.026 65.009 -184.432 -494.738 15.537 5.20139 177.401 -6.71499 PRESSAVG: 1173400 43.5177 -14.2666 -7.95906 -14.2665 -55.7313 -31.173 -7.95911 -31.173 7.76624 GPRESSAVG: 1173400 43.3843 -9.72432 -7.56556 -17.0096 -55.4046 -32.0104 -8.51142 -30.1353 7.50467 TIMING: 1173400 CPU: 3716.44, 0.00315421/step Wall: 3716.44, 0.00315421/step, 3.35275 hours remaining, 237.976562 MB of memory in use. ENERGY: 1173400 3997.3400 20491.0199 14518.7897 253.6858 -203216.5009 2264.2376 0.0000 0.0000 52147.2802 -109544.1477 299.6911 -161691.4279 -109182.4755 298.7193 -290.2874 -257.8053 762784.1693 -1.4825 -1.5052 PRESSURE: 1173600 -110.193 -57.2052 79.3284 -57.2053 -121.989 111.599 79.3285 111.599 108.437 GPRESSURE: 1173600 -136.359 -66.2386 -15.744 55.6929 -37.8339 140.306 162.426 139.152 150.01 PRESSAVG: 1173600 -44.5276 -46.4691 17.1387 -46.4691 -13.5159 18.9756 17.1386 18.9756 -6.83933 GPRESSAVG: 1173600 -44.3644 -47.8147 16.4957 -43.7889 -13.8909 18.5136 18.0359 17.5067 -6.88908 TIMING: 1173600 CPU: 3717.08, 0.00315935/step Wall: 3717.08, 0.00315935/step, 3.35803 hours remaining, 237.976562 MB of memory in use. ENERGY: 1173600 3957.6236 20490.7586 14419.1381 243.4036 -203655.3610 2998.7727 0.0000 0.0000 51852.3652 -109693.2992 297.9963 -161545.6645 -109334.6838 298.4277 -41.2483 -8.0610 763986.2016 -21.6276 -21.7148 PRESSURE: 1173800 -262.919 -114.164 -21.2649 -114.164 203.398 138.327 -21.265 138.327 -304.906 GPRESSURE: 1173800 -198.84 -150.793 -141.815 -107.128 218.714 103.891 158.782 78.2387 -299.246 PRESSAVG: 1173800 16.0212 -42.2006 16.556 -42.2006 -46.7283 -9.01247 16.556 -9.01248 -3.79939 GPRESSAVG: 1173800 15.6148 -43.7425 17.4683 -43.401 -47.1143 -8.19602 17.8431 -8.84 -2.94549 TIMING: 1173800 CPU: 3717.7, 0.00314099/step Wall: 3717.7, 0.00314099/step, 3.33835 hours remaining, 237.976562 MB of memory in use. ENERGY: 1173800 3997.1241 20425.0709 14444.2132 245.3524 -203493.2734 2702.9706 0.0000 0.0000 51964.9611 -109713.5811 298.6433 -161678.5421 -109365.7705 298.2808 -121.4755 -93.1242 764390.7008 -11.5022 -11.4817 PRESSURE: 1174000 -28.7212 -58.8292 108.23 -58.8289 -10.2476 440.977 108.23 440.979 244.298 GPRESSURE: 1174000 6.78689 -30.8781 140.586 14.7849 63.7393 430.764 32.6722 402.694 229.128 PRESSAVG: 1174000 -20.4591 -62.2414 -27.7989 -62.2414 -23.4358 14.0476 -27.799 14.0477 3.67708 GPRESSAVG: 1174000 -20.1866 -62.3466 -27.1895 -61.7146 -23.4177 13.7674 -29.7182 13.851 3.99042 TIMING: 1174000 CPU: 3718.33, 0.00315296/step Wall: 3718.33, 0.00315296/step, 3.3509 hours remaining, 237.976562 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: 1174000 3958.5201 20323.1161 14493.1690 222.5987 -203190.0488 2694.3974 0.0000 0.0000 51698.8263 -109799.4212 297.1139 -161498.2474 -109444.2996 298.1416 68.4432 99.8848 763239.0653 -13.4059 -13.2046 PRESSURE: 1174200 -1.96373 -50.1737 -70.9959 -50.1735 -63.1767 -155.644 -70.9962 -155.643 51.1603 GPRESSURE: 1174200 56.2655 146.295 -48.1172 -119.007 -4.19196 -81.0463 -53.4249 -128.999 41.0445 PRESSAVG: 1174200 -22.1621 15.223 -9.43298 15.223 3.85182 34.3662 -9.43293 34.3662 -5.32635 GPRESSAVG: 1174200 -22.6894 16.5837 -10.7188 14.8642 5.00416 35.4618 -9.0281 34.6164 -5.71103 TIMING: 1174200 CPU: 3718.97, 0.00316604/step Wall: 3718.97, 0.00316604/step, 3.36462 hours remaining, 237.976562 MB of memory in use. ENERGY: 1174200 3873.0300 20367.0351 14566.3526 232.8218 -203620.7069 2897.2207 0.0000 0.0000 51843.4762 -109840.7704 297.9452 -161684.2466 -109479.6666 297.7855 -4.6601 31.0393 763812.0458 -7.8789 -7.7987 PRESSURE: 1174400 78.0214 -21.6139 19.6735 -21.6148 175.542 88.7986 19.6729 88.799 -331.897 GPRESSURE: 1174400 108.153 -91.6812 -42.7079 24.1941 188.506 21.2798 59.142 181.708 -275.927 PRESSAVG: 1174400 24.5876 8.62882 28.8432 8.62883 -59.5974 -24.5429 28.8432 -24.5429 -23.0418 GPRESSAVG: 1174400 26.1133 8.15473 29.9972 8.79098 -62.2275 -24.1725 27.0319 -24.738 -21.1793 TIMING: 1174400 CPU: 3719.61, 0.00319894/step Wall: 3719.61, 0.00319894/step, 3.3994 hours remaining, 237.976562 MB of memory in use. ENERGY: 1174400 3908.2508 20424.4153 14564.7550 240.9740 -203734.6100 2979.4420 0.0000 0.0000 51962.1069 -109654.6660 298.6269 -161616.7729 -109299.9138 298.0785 -26.1113 6.9108 761997.8117 -19.3505 -19.0978 PRESSURE: 1174600 120.518 -58.5473 129.408 -58.5471 78.6794 -107.689 129.408 -107.688 468.892 GPRESSURE: 1174600 98.5266 -140.297 136.766 -58.4249 170.411 -175.557 151.956 -12.7398 493.98 PRESSAVG: 1174600 17.5861 -6.49443 22.0317 -6.49443 17.7085 -60.2186 22.0317 -60.2187 18.3016 GPRESSAVG: 1174600 15.4471 -6.38942 20.6149 -6.93195 21.2123 -60.2008 23.125 -59.614 17.561 TIMING: 1174600 CPU: 3720.24, 0.00317469/step Wall: 3720.24, 0.00317469/step, 3.37346 hours remaining, 237.976562 MB of memory in use. ENERGY: 1174600 3989.5822 20425.9078 14464.2920 234.3238 -203412.9563 2672.0846 0.0000 0.0000 52011.2204 -109615.5455 298.9092 -161626.7659 -109256.4700 298.4015 222.6964 254.3059 761165.2573 17.8654 18.0735 PRESSURE: 1174800 -368.145 20.2244 -180.185 20.2255 28.638 283.131 -180.185 283.13 -30.6265 GPRESSURE: 1174800 -342.002 -4.51928 -169.014 -120.891 106.113 145.887 -31.1327 231.373 -34.8614 PRESSAVG: 1174800 -7.85807 6.6586 14.1185 6.65855 35.5627 24.5536 14.1186 24.5536 7.25037 GPRESSAVG: 1174800 -6.7145 8.2759 13.5273 6.44323 34.2674 22.7215 16.5122 22.9674 6.52833 TIMING: 1174800 CPU: 3720.88, 0.00317057/step Wall: 3720.88, 0.00317057/step, 3.36891 hours remaining, 237.976562 MB of memory in use. ENERGY: 1174800 3967.7056 20341.4049 14449.0826 243.4216 -203039.7059 2489.9096 0.0000 0.0000 51884.6019 -109663.5798 298.1815 -161548.1817 -109304.4467 298.6443 -123.3779 -90.2502 762242.7706 11.6517 11.3604 PRESSURE: 1175000 263.285 -255.65 143.293 -255.651 56.3943 100.742 143.294 100.742 -206.977 GPRESSURE: 1175000 341.656 -294.375 103.378 -296.297 31.8212 172.585 170.936 150.412 -185.136 PRESSAVG: 1175000 -26.7589 -25.2972 16.6396 -25.2973 13.1752 61.9695 16.6396 61.9695 -23.1077 GPRESSAVG: 1175000 -27.0362 -25.7981 17.0086 -24.7513 13.3225 63.2319 15.2548 61.2713 -22.308 TIMING: 1175000 CPU: 3721.52, 0.00319955/step Wall: 3721.52, 0.00319955/step, 3.39952 hours remaining, 237.976562 MB of memory in use. ENERGY: 1175000 4050.5921 20451.1979 14594.3897 274.2065 -203303.4740 2606.2690 0.0000 0.0000 51865.9110 -109460.9077 298.0741 -161326.8188 -109107.2046 298.6526 37.5674 62.7807 759548.9401 -12.2305 -12.0072 PRESSURE: 1175200 -317.496 -57.919 -85.7392 -57.919 -56.1867 -60.8346 -85.7388 -60.8335 -149.809 GPRESSURE: 1175200 -243.869 -42.6724 -99.3212 14.6417 -107.83 -51.2663 -122.258 -79.4266 -88.7862 PRESSAVG: 1175200 48.8228 -27.3182 44.4309 -27.3181 -10.0207 40.362 44.4309 40.3619 -27.6999 GPRESSAVG: 1175200 47.8178 -28.3377 45.5296 -26.2729 -9.24268 40.77 43.5286 39.4936 -28.259 TIMING: 1175200 CPU: 3722.15, 0.00315367/step Wall: 3722.15, 0.00315367/step, 3.3506 hours remaining, 237.976562 MB of memory in use. ENERGY: 1175200 3925.4458 20353.0390 14468.8992 245.7586 -203301.3493 2469.1687 0.0000 0.0000 52382.2128 -109456.8252 301.0413 -161839.0380 -109084.9058 299.5635 -174.4974 -146.8282 761502.3002 3.7007 3.4387 PRESSURE: 1175400 290.236 -95.5023 121.553 -95.5021 85.6057 -64.1442 121.553 -64.1439 11.7683 GPRESSURE: 1175400 264.21 -136.328 65.4397 -139.131 143.875 -32.4778 120.505 -136.12 82.6942 PRESSAVG: 1175400 63.9046 -4.18935 2.30924 -4.18944 -7.77797 20.5633 2.30924 20.5633 -5.62688 GPRESSAVG: 1175400 65.4528 -5.55825 0.804418 -7.51114 -8.28891 19.4948 0.368357 22.3445 -6.23083 TIMING: 1175400 CPU: 3722.78, 0.003174/step Wall: 3722.78, 0.003174/step, 3.37203 hours remaining, 237.976562 MB of memory in use. ENERGY: 1175400 4019.6845 20408.0164 14428.5958 224.6250 -203126.7071 2372.5150 0.0000 0.0000 51861.0487 -109812.2216 298.0462 -161673.2704 -109446.3002 298.7276 129.2035 163.5931 760984.7938 16.8332 16.9777 PRESSURE: 1175600 -13.7267 -106.68 -131.503 -106.679 230.325 110.772 -131.503 110.773 -19.7725 GPRESSURE: 1175600 46.2333 -57.1187 -155.542 -49.4541 271.079 71.4957 -125.329 -11.3017 -36.951 PRESSAVG: 1175600 1.00922 -18.4024 1.06188 -18.4024 0.985907 -11.225 1.06187 -11.2251 -5.54086 GPRESSAVG: 1175600 -1.24718 -17.5857 1.70302 -15.2714 0.243631 -11.2712 3.5523 -11.8065 -3.41283 TIMING: 1175600 CPU: 3723.42, 0.00318177/step Wall: 3723.42, 0.00318177/step, 3.3801 hours remaining, 237.976562 MB of memory in use. ENERGY: 1175600 3943.9229 20487.5301 14437.9243 255.5070 -203212.8816 2390.8381 0.0000 0.0000 51922.4223 -109774.7367 298.3989 -161697.1590 -109421.1837 298.5343 65.6086 93.4537 759252.5327 -1.1819 -1.4721 PRESSURE: 1175800 142.352 147.925 105.154 147.926 435.468 124.397 105.154 124.397 53.8299 GPRESSURE: 1175800 156.324 156.304 130.746 215.508 419.85 118.051 184.267 109.637 123.504 PRESSAVG: 1175800 -52.4978 -36.3405 21.5123 -36.3404 40.6819 -28.4449 21.5124 -28.4449 5.52168 GPRESSAVG: 1175800 -52.1053 -35.0648 22.13 -36.078 41.302 -26.2965 22.1365 -27.8028 3.9896 TIMING: 1175800 CPU: 3724.06, 0.00319946/step Wall: 3724.06, 0.00319946/step, 3.39872 hours remaining, 237.976562 MB of memory in use. ENERGY: 1175800 3909.2024 20567.9889 14467.3050 251.3012 -203764.9484 2908.6801 0.0000 0.0000 51901.3724 -109759.0984 298.2779 -161660.4707 -109399.5825 298.2997 210.5499 233.2259 759586.2733 -2.0981 -2.2712 PRESSURE: 1176000 -177.245 118.171 -137.631 118.171 74.011 38.3074 -137.631 38.3076 -377.344 GPRESSURE: 1176000 -112.26 114.944 -179.54 96.2994 75.3713 35.6067 -182.546 27.6342 -349.999 PRESSAVG: 1176000 50.0984 -51.9592 -7.1887 -51.9592 -13.3755 68.9764 -7.18871 68.9763 0.121931 GPRESSAVG: 1176000 50.9094 -50.1285 -6.12944 -53.8272 -12.8615 67.6361 -9.37469 69.3447 -0.92933 TIMING: 1176000 CPU: 3724.69, 0.00316443/step Wall: 3724.69, 0.00316443/step, 3.36133 hours remaining, 237.976562 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: 1176000 4013.6364 20423.4349 14432.6701 251.3280 -203240.1372 2603.9817 0.0000 0.0000 51816.6098 -109698.4764 297.7908 -161515.0862 -109338.2408 298.7973 -160.1925 -128.9628 764342.2874 12.2816 12.3729 PRESSURE: 1176200 163.311 -141.182 31.9565 -141.182 -86.6727 216.407 31.9565 216.406 114.581 GPRESSURE: 1176200 219.084 -141.582 67.0924 -66.1058 -96.4105 132.401 27.8237 220.396 179.907 PRESSAVG: 1176200 29.1317 2.42297 -72.6608 2.42297 -19.3133 39.0229 -72.6608 39.0228 -19.0017 GPRESSAVG: 1176200 29.4787 0.965727 -74.4647 2.58415 -20.1824 39.3287 -72.6687 38.767 -17.6762 TIMING: 1176200 CPU: 3725.33, 0.00319654/step Wall: 3725.33, 0.00319654/step, 3.39526 hours remaining, 237.976562 MB of memory in use. ENERGY: 1176200 3946.3577 20443.8051 14376.8957 233.1255 -203692.1302 2867.8125 0.0000 0.0000 52061.7822 -109762.3516 299.1998 -161824.1339 -109413.4377 298.4884 63.7397 100.8601 761640.8764 -3.0611 -2.7933 LDB: ============= START OF LOAD BALANCING ============== 3737.78 LDB: ============== END OF LOAD BALANCING =============== 3737.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3737.78 LDB: ============= START OF LOAD BALANCING ============== 3738.1 LDB: Largest compute 7032 load 0.036616 is 18.8% of average load 0.195118 LDB: Average compute 0.004390 is 2.2% of average load 0.195118 LDB: TIME 3738.11 LOAD: AVG 0.195118 MAX 0.212987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.426 MB LDB: TIME 3738.11 LOAD: AVG 0.195118 MAX 0.212987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: TIME 3738.11 LOAD: AVG 0.195118 MAX 0.212987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: ============== END OF LOAD BALANCING =============== 3738.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3738.11 PRESSURE: 1176400 -150.485 -173.349 282.454 -173.349 -43.3853 -88.4943 282.454 -88.4948 372.647 GPRESSURE: 1176400 -123.592 -117.959 276.129 -96.3924 44.8374 -82.7625 118.645 -149.606 353.603 PRESSAVG: 1176400 19.1748 -13.459 -12.9317 -13.459 -5.50536 39.1575 -12.9318 39.1576 -0.879037 GPRESSAVG: 1176400 18.5607 -13.5887 -10.8644 -13.6525 -4.21077 39.3177 -10.9732 37.2089 -1.47499 TIMING: 1176400 CPU: 3725.98, 0.00323987/step Wall: 3725.98, 0.00323987/step, 3.4411 hours remaining, 237.660156 MB of memory in use. ENERGY: 1176400 3897.8617 20478.0488 14344.9610 240.6539 -203232.3392 2564.7578 0.0000 0.0000 52016.1947 -109689.8613 298.9378 -161706.0560 -109332.6106 298.1994 59.5925 91.6163 760179.9758 4.2635 4.2916 PRESSURE: 1176600 21.5617 -158.632 -82.0407 -158.632 -92.6487 184.289 -82.0405 184.288 -427.904 GPRESSURE: 1176600 -57.5254 -50.3248 -46.7646 -92.2245 -30.9864 102.543 -101.142 228.255 -328.59 PRESSAVG: 1176600 -50.8669 -32.6278 16.9662 -32.6277 -10.8466 34.5069 16.9661 34.5069 12.052 GPRESSAVG: 1176600 -50.4291 -30.5745 16.2774 -32.1696 -11.6325 33.9115 14.5229 36.9411 12.4829 TIMING: 1176600 CPU: 3726.61, 0.00315427/step Wall: 3726.61, 0.00315427/step, 3.35001 hours remaining, 237.660156 MB of memory in use. ENERGY: 1176600 3935.5028 20310.4865 14389.8428 235.7389 -203488.9510 2725.7087 0.0000 0.0000 52181.2575 -109710.4138 299.8864 -161891.6713 -109334.1844 299.1329 -166.3304 -139.0340 761476.0513 -16.5538 -16.5262 PRESSURE: 1176800 -160.956 166.978 -110.415 166.978 -194.512 163.075 -110.415 163.076 -399.918 GPRESSURE: 1176800 -239.06 160.396 -138.187 83.7003 -70.3784 104.716 -109.722 262.409 -337.281 PRESSAVG: 1176800 -9.20766 32.3955 3.45152 32.3955 45.5444 -8.43096 3.45157 -8.43096 1.28862 GPRESSAVG: 1176800 -8.48218 32.1002 4.07678 32.5334 45.5022 -7.8812 2.63182 -9.93416 0.769564 TIMING: 1176800 CPU: 3727.24, 0.00316476/step Wall: 3727.24, 0.00316476/step, 3.36098 hours remaining, 237.660156 MB of memory in use. ENERGY: 1176800 3984.4623 20444.4219 14401.9548 240.3702 -203245.7552 2188.7145 0.0000 0.0000 52017.8712 -109967.9602 298.9474 -161985.8315 -109596.6711 298.7318 -251.7953 -215.5730 757965.5701 12.5418 12.5965 PRESSURE: 1177000 68.1667 156.6 16.6582 156.6 131.775 2.7703 16.6584 2.77066 -237.653 GPRESSURE: 1177000 83.4648 24.6591 -86.7356 53.9818 185.777 61.141 70.2045 76.3482 -226.947 PRESSAVG: 1177000 6.73346 21.1943 -20.0312 21.1943 -20.8149 9.1934 -20.0312 9.19341 -9.82569 GPRESSAVG: 1177000 5.51621 18.3972 -21.8691 22.2302 -19.1919 9.80196 -18.117 9.8831 -10.1009 TIMING: 1177000 CPU: 3727.88, 0.00317546/step Wall: 3727.88, 0.00317546/step, 3.37216 hours remaining, 237.660156 MB of memory in use. ENERGY: 1177000 3930.8082 20533.8894 14399.1195 240.7363 -203616.7477 2673.1163 0.0000 0.0000 51901.9798 -109937.0982 298.2814 -161839.0780 -109563.6180 298.2951 -12.5703 14.0981 759787.7886 -7.9690 -7.9255 PRESSURE: 1177200 -66.6453 67.7019 0.0481512 67.702 171.848 106.854 0.0479508 106.855 146.302 GPRESSURE: 1177200 40.9538 50.9718 -38.9174 72.9817 160.147 78.6457 122.2 118.765 143.184 PRESSAVG: 1177200 80.4589 -5.75149 -28.6373 -5.75152 -26.7649 -8.45383 -28.6373 -8.45373 18.1852 GPRESSAVG: 1177200 81.37 -5.47073 -28.2272 -6.60084 -28.7727 -7.95101 -27.9207 -10.2589 19.4559 TIMING: 1177200 CPU: 3728.51, 0.00316108/step Wall: 3728.51, 0.00316108/step, 3.35672 hours remaining, 237.660156 MB of memory in use. ENERGY: 1177200 3982.4860 20369.5727 14442.1366 257.5905 -203369.7952 2620.8229 0.0000 0.0000 52123.4706 -109573.7159 299.5543 -161697.1864 -109210.2815 298.8980 83.8346 114.7617 759846.9892 23.9597 24.0177 PRESSURE: 1177400 -349.154 83.4944 69.8921 83.4941 -97.1251 -97.4592 69.8926 -97.4587 -202.722 GPRESSURE: 1177400 -386.792 71.0936 61.8255 47.6049 -3.8138 -24.6199 73.2575 -121.234 -176.387 PRESSAVG: 1177400 2.47648 4.79213 -3.91081 4.79212 -46.0426 -7.95485 -3.9108 -7.95483 -37.0576 GPRESSAVG: 1177400 2.36343 3.27841 -4.74985 6.38718 -45.7533 -9.70846 -4.04314 -4.64535 -36.7948 TIMING: 1177400 CPU: 3729.14, 0.00317391/step Wall: 3729.14, 0.00317391/step, 3.37016 hours remaining, 237.660156 MB of memory in use. ENERGY: 1177400 3989.0707 20524.8699 14441.5531 268.1124 -203441.2970 2459.9626 0.0000 0.0000 52325.6887 -109432.0397 300.7165 -161757.7284 -109075.7439 299.0916 -216.3338 -188.9976 759394.7879 -26.8746 -26.7282 PRESSURE: 1177600 45.9667 228.454 -244.964 228.454 -81.9632 43.5935 -244.965 43.5941 -401.946 GPRESSURE: 1177600 52.5587 302.019 -189.299 209.348 -85.4361 8.74206 -161.572 87.7855 -316.249 PRESSAVG: 1177600 26.5285 -11.0223 -22.572 -11.0224 -4.68661 48.765 -22.572 48.7651 -8.04364 GPRESSAVG: 1177600 27.036 -9.96111 -20.5481 -10.9766 -5.13082 49.2372 -23.0144 48.9252 -8.61841 TIMING: 1177600 CPU: 3729.78, 0.0031666/step Wall: 3729.78, 0.0031666/step, 3.36222 hours remaining, 237.660156 MB of memory in use. ENERGY: 1177600 4057.1792 20591.6172 14431.1934 277.3887 -203623.3420 2998.9098 0.0000 0.0000 51686.1164 -109580.9372 297.0408 -161267.0537 -109223.4289 298.9528 -145.9807 -116.3756 760482.8350 4.5994 4.4289 PRESSURE: 1177800 -135.794 -167.845 153.048 -167.845 138.694 29.8461 153.048 29.8457 194.518 GPRESSURE: 1177800 -109.427 -210.147 181.756 -152.927 124.397 -20.5834 142.185 18.2095 265.833 PRESSAVG: 1177800 -18.7909 4.55764 -23.4976 4.55768 30.1817 -15.166 -23.4976 -15.166 -2.6954 GPRESSAVG: 1177800 -17.285 4.73257 -22.1553 1.3393 28.6656 -14.5587 -24.8808 -18.7066 -2.85089 TIMING: 1177800 CPU: 3730.41, 0.003154/step Wall: 3730.41, 0.003154/step, 3.34868 hours remaining, 237.660156 MB of memory in use. ENERGY: 1177800 3893.1049 20592.5475 14392.8479 232.8560 -203361.7335 2561.7762 0.0000 0.0000 52069.7178 -109618.8831 299.2454 -161688.6010 -109256.6614 298.6969 65.8061 93.6009 759908.8002 2.8985 2.8432 PRESSURE: 1178000 -320.203 -84.9109 31.2342 -84.9108 -564.34 41.6442 31.2344 41.6447 112.036 GPRESSURE: 1178000 -343.028 -93.9454 -20.2991 -62.5612 -435.726 -4.11652 77.5222 20.7023 116.117 PRESSAVG: 1178000 -1.54554 -27.3428 -27.5712 -27.3427 -11.6425 -0.412027 -27.5712 -0.412026 0.963459 GPRESSAVG: 1178000 -2.58999 -27.1726 -30.973 -24.4094 -9.95524 -0.857989 -25.5155 2.03176 1.2062 TIMING: 1178000 CPU: 3731.04, 0.0031538/step Wall: 3731.04, 0.0031538/step, 3.34829 hours remaining, 237.660156 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: 1178000 4017.7937 20480.0932 14478.6734 253.7388 -202992.3194 2348.0002 0.0000 0.0000 52008.5392 -109405.4810 298.8938 -161414.0202 -109049.8622 298.7646 -257.5023 -220.8790 760490.4842 -4.0749 -3.7797 PRESSURE: 1178200 -283.763 -80.3427 116.695 -80.3427 -153.153 253.44 116.695 253.439 118.675 GPRESSURE: 1178200 -189.693 16.1837 23.4458 -158.237 -152.527 278.632 -48.7478 193.824 118.544 PRESSAVG: 1178200 -32.4643 54.4873 13.7888 54.4873 7.85793 0.479168 13.7887 0.479238 -15.7256 GPRESSAVG: 1178200 -32.0306 53.5233 15.2546 53.0051 7.3823 0.528009 13.065 -1.33063 -15.3844 TIMING: 1178200 CPU: 3731.67, 0.00317551/step Wall: 3731.67, 0.00317551/step, 3.37116 hours remaining, 237.660156 MB of memory in use. ENERGY: 1178200 3947.3226 20770.0465 14450.8829 229.9068 -203551.5425 2638.2726 0.0000 0.0000 51982.0112 -109533.0999 298.7413 -161515.1112 -109175.7712 299.0130 -106.0805 -74.5584 761481.7861 -13.4440 -13.3442 PRESSURE: 1178400 63.0197 -147.57 -234.051 -147.57 -248.191 -65.9495 -234.051 -65.9501 -445.679 GPRESSURE: 1178400 153.276 -64.2956 -264.338 -51.3825 -296.256 -137.049 -200.928 192.947 -389.501 PRESSAVG: 1178400 -9.42629 35.1541 31.9223 35.1541 -9.41673 38.3081 31.9223 38.3081 -12.3095 GPRESSAVG: 1178400 -9.84678 36.1581 32.7163 35.9903 -8.92915 37.8184 31.2865 40.8045 -12.3516 TIMING: 1178400 CPU: 3732.31, 0.00317496/step Wall: 3732.31, 0.00317496/step, 3.3704 hours remaining, 237.660156 MB of memory in use. ENERGY: 1178400 4008.3507 20503.3900 14441.0588 260.5871 -203500.1649 2545.4916 0.0000 0.0000 52181.9000 -109559.3867 299.8901 -161741.2868 -109199.1471 298.9629 -210.2836 -177.4938 761628.9213 -10.3842 -10.3758 PRESSURE: 1178600 -278.546 -8.37534 171.233 -8.37564 244.88 301.92 171.233 301.919 -33.4188 GPRESSURE: 1178600 -179.534 25.1252 194.429 38.5113 213.175 292.333 149.236 282.926 10.7214 PRESSAVG: 1178600 24.5042 -21.2375 18.6901 -21.2375 -20.0206 37.9187 18.6901 37.9187 -1.18486 GPRESSAVG: 1178600 24.4923 -19.0893 18.8066 -21.0922 -19.7174 38.4595 18.3191 35.8603 -1.35436 TIMING: 1178600 CPU: 3732.94, 0.00317704/step Wall: 3732.94, 0.00317704/step, 3.37243 hours remaining, 237.660156 MB of memory in use. ENERGY: 1178600 3874.1686 20392.6820 14454.5280 251.1778 -203148.0057 2693.3182 0.0000 0.0000 52155.4071 -109326.7241 299.7378 -161482.1311 -108957.2860 299.2808 -22.3618 14.7874 761894.8311 1.0996 1.1402 PRESSURE: 1178800 -67.7455 -14.8671 -179.057 -14.8674 63.9492 -225.973 -179.058 -225.971 -280.935 GPRESSURE: 1178800 -71.3322 133.483 -197.308 -16.2159 78.7307 -220.202 -152.769 -149.748 -224.301 PRESSAVG: 1178800 37.3135 24.0338 -17.1976 24.0337 31.3127 16.2592 -17.1976 16.2592 -13.6123 GPRESSAVG: 1178800 37.3861 21.9136 -16.3652 22.9505 31.8085 17.2263 -15.0448 16.6611 -14.4359 TIMING: 1178800 CPU: 3733.58, 0.00319545/step Wall: 3733.58, 0.00319545/step, 3.39179 hours remaining, 237.660156 MB of memory in use. ENERGY: 1178800 3917.8000 20644.6904 14476.0665 249.2984 -202745.7866 2125.8228 0.0000 0.0000 52128.2462 -109203.8623 299.5817 -161332.1085 -108857.4961 299.5744 -94.9105 -72.3009 761094.5175 18.3380 18.2529 PRESSURE: 1179000 -127.212 112.896 75.1566 112.896 32.2849 131.019 75.156 131.018 47.4402 GPRESSURE: 1179000 -70.1937 188.814 104.579 178.209 32.3465 283.165 -115.559 145.776 78.2209 PRESSAVG: 1179000 -16.661 9.89707 19.2811 9.89707 1.07268 -7.82744 19.2811 -7.82751 2.26463 GPRESSAVG: 1179000 -17.5715 9.82202 20.7353 11.2431 2.43407 -6.54308 16.0866 -9.29838 1.55853 TIMING: 1179000 CPU: 3734.22, 0.00320694/step Wall: 3734.22, 0.00320694/step, 3.40381 hours remaining, 237.660156 MB of memory in use. ENERGY: 1179000 3886.7228 20637.8219 14429.9486 227.6522 -203362.9197 2620.0035 0.0000 0.0000 52087.1345 -109473.6362 299.3455 -161560.7707 -109117.3433 299.1888 -15.8291 13.4579 759959.7131 -4.4412 -4.5263 PRESSURE: 1179200 165.013 187.354 23.0854 187.355 137.818 -67.3594 23.0865 -67.3596 199.45 GPRESSURE: 1179200 274.128 171.948 -15.739 47.899 139.086 -60.5015 92.9687 -185.116 181.294 PRESSAVG: 1179200 2.98107 24.2064 29.5956 24.2063 -7.08698 -6.3776 29.5956 -6.37766 -10.4182 GPRESSAVG: 1179200 2.58048 24.4291 28.238 23.3372 -8.56872 -8.85829 30.2133 -4.10193 -9.25923 TIMING: 1179200 CPU: 3734.86, 0.00319691/step Wall: 3734.86, 0.00319692/step, 3.39299 hours remaining, 237.660156 MB of memory in use. ENERGY: 1179200 3955.2079 20460.6001 14459.5699 241.7155 -203549.1770 2670.1282 0.0000 0.0000 52472.5718 -109289.3836 301.5606 -161761.9554 -108925.5472 299.5040 167.4268 198.1693 761775.0691 -4.8414 -5.0825 PRESSURE: 1179400 -220.276 136.462 250.539 136.462 -145.252 167.388 250.538 167.387 29.2346 GPRESSURE: 1179400 -168.399 39.9183 275.956 158.786 -104.171 194.058 234.325 3.8926 21.0627 PRESSAVG: 1179400 27.6973 -26.2672 2.64619 -26.2671 -25.1504 5.0244 2.64621 5.02447 3.64742 GPRESSAVG: 1179400 27.6702 -27.464 1.50257 -26.1703 -25.3901 4.79179 4.9673 3.56092 4.37368 TIMING: 1179400 CPU: 3735.5, 0.00318196/step Wall: 3735.5, 0.00318196/step, 3.37694 hours remaining, 237.660156 MB of memory in use. ENERGY: 1179400 4023.8755 20480.5630 14402.9086 241.2658 -202980.1325 2434.9849 0.0000 0.0000 52131.5085 -109265.0263 299.6005 -161396.5348 -108904.3172 300.0154 -112.0980 -83.8356 763044.8625 2.0647 2.2179 PRESSURE: 1179600 113.429 132.659 200.183 132.659 -172.174 1.368 200.183 1.36795 -94.2588 GPRESSURE: 1179600 45.5904 204.812 181.288 123.789 -153.358 -82.6185 126.282 69.1064 15.8 PRESSAVG: 1179600 44.4118 36.3567 30.1793 36.3567 -71.3215 47.2194 30.1793 47.2195 4.33837 GPRESSAVG: 1179600 44.7181 36.4952 29.9256 38.5346 -71.194 46.3867 29.4551 46.7039 3.33931 TIMING: 1179600 CPU: 3736.14, 0.0031901/step Wall: 3736.14, 0.0031901/step, 3.3854 hours remaining, 237.660156 MB of memory in use. ENERGY: 1179600 4056.5121 20515.8860 14414.0174 240.8552 -203084.1542 2643.3908 0.0000 0.0000 51912.9126 -109300.5802 298.3442 -161213.4928 -108937.6611 299.2130 -51.0012 -30.6558 763247.4975 -7.5238 -7.7122 PRESSURE: 1179800 -200.682 -14.3408 -2.07019 -14.3406 233.779 -101.491 -2.07105 -101.491 -193.572 GPRESSURE: 1179800 34.9352 -105.724 -55.6449 -116.605 153.849 -90.1052 36.6066 18.1146 -253.037 PRESSAVG: 1179800 40.2485 18.732 -17.9652 18.7318 -49.3201 14.1643 -17.9652 14.1643 -14.5823 GPRESSAVG: 1179800 41.4449 21.0472 -15.4309 16.6002 -50.8051 14.3537 -18.8454 16.2843 -14.3343 TIMING: 1179800 CPU: 3736.78, 0.00319152/step Wall: 3736.78, 0.00319152/step, 3.38674 hours remaining, 237.660156 MB of memory in use. ENERGY: 1179800 3980.4950 20530.1419 14459.4866 262.0343 -203747.3553 3063.8083 0.0000 0.0000 52241.5427 -109209.8465 300.2329 -161451.3892 -108848.2474 299.8075 -53.4913 -21.4175 759499.3610 -7.8846 -7.8982 PRESSURE: 1180000 85.8873 -141.159 -151.248 -141.159 -124.063 206.073 -151.248 206.074 -226.35 GPRESSURE: 1180000 166.714 -59.0611 -139.488 -68.1416 -61.9966 175.577 -192.31 99.1378 -271.803 PRESSAVG: 1180000 18.4128 14.9714 27.2176 14.9714 -41.9202 19.8945 27.2176 19.8945 0.257099 GPRESSAVG: 1180000 17.9385 12.94 25.3742 13.7177 -40.9807 22.2117 26.9114 17.8844 0.0391966 TIMING: 1180000 CPU: 3737.41, 0.00316997/step Wall: 3737.41, 0.00316997/step, 3.36369 hours remaining, 237.660156 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: 1180000 3890.7563 20594.7996 14430.4845 246.5164 -203377.4139 2933.4471 0.0000 0.0000 52075.1321 -109206.2779 299.2765 -161281.4100 -108848.2997 299.7980 -88.1755 -55.6953 761836.8906 -7.7501 -7.6677 PRESSURE: 1180200 235.514 67.6323 -60.6499 67.6322 232.235 -169.418 -60.6494 -169.419 94.4911 GPRESSURE: 1180200 236.487 128.048 -109.69 60.1186 194.554 -192.207 56.3438 -305.947 212.239 PRESSAVG: 1180200 58.9594 25.8318 -44.5613 25.8318 -39.3229 19.6336 -44.5614 19.6336 -13.4327 GPRESSAVG: 1180200 59.714 25.1712 -44.5129 28.0608 -40.2547 19.3144 -44.3382 19.2481 -13.8196 TIMING: 1180200 CPU: 3738.05, 0.00317235/step Wall: 3738.05, 0.00317235/step, 3.36604 hours remaining, 237.660156 MB of memory in use. ENERGY: 1180200 3999.9943 20706.4129 14536.4392 257.0527 -203349.2340 2703.9088 0.0000 0.0000 52166.0229 -108979.4031 299.7989 -161145.4260 -108627.1591 300.0921 187.4134 214.4264 762111.9324 2.0679 1.8799 LDB: ============= START OF LOAD BALANCING ============== 3750.5 LDB: ============== END OF LOAD BALANCING =============== 3750.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3750.5 LDB: ============= START OF LOAD BALANCING ============== 3750.82 LDB: Largest compute 7059 load 0.036041 is 18.5% of average load 0.195115 LDB: Average compute 0.004417 is 2.3% of average load 0.195115 LDB: TIME 3750.82 LOAD: AVG 0.195115 MAX 0.214862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.949 MB LDB: TIME 3750.82 LOAD: AVG 0.195115 MAX 0.214862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.953 MB LDB: TIME 3750.82 LOAD: AVG 0.195115 MAX 0.214862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.953 MB LDB: ============== END OF LOAD BALANCING =============== 3750.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3750.83 PRESSURE: 1180400 -227.163 42.0349 187.709 42.0356 10.3303 -251.086 187.708 -251.085 123.282 GPRESSURE: 1180400 -221.965 46.4797 216.035 -11.0756 116.831 -228.998 61.1113 -251.406 73.4578 PRESSAVG: 1180400 21.8888 -9.17738 34.1942 -9.1773 5.24538 9.7387 34.1941 9.73864 3.46757 GPRESSAVG: 1180400 20.1479 -7.81798 35.8853 -11.3123 5.5752 10.0021 33.1489 10.3595 4.42202 TIMING: 1180400 CPU: 3738.7, 0.00325265/step Wall: 3738.7, 0.00325265/step, 3.45107 hours remaining, 238.113281 MB of memory in use. ENERGY: 1180400 3975.6612 20686.4478 14407.2048 252.3364 -202537.3741 2142.8849 0.0000 0.0000 52220.3271 -108852.5120 300.1109 -161072.8391 -108489.6069 300.7012 -31.1838 -10.5584 762455.9010 10.2006 10.0484 PRESSURE: 1180600 89.0942 -60.3922 149.086 -60.3931 -146.732 0.26431 149.086 0.264437 -66.4535 GPRESSURE: 1180600 116.585 -98.0208 204.188 19.4553 -92.9252 -41.508 17.7816 28.5511 -49.5951 PRESSAVG: 1180600 62.436 2.64755 29.5536 2.64752 -29.5443 -20.8248 29.5537 -20.8247 8.56811 GPRESSAVG: 1180600 61.6641 2.85417 29.479 4.2244 -28.4207 -23.2546 30.1449 -17.8132 7.84106 TIMING: 1180600 CPU: 3739.33, 0.00316746/step Wall: 3739.33, 0.00316746/step, 3.3605 hours remaining, 238.113281 MB of memory in use. ENERGY: 1180600 3993.1485 20740.9687 14464.6989 231.5007 -202827.8393 2322.9215 0.0000 0.0000 52249.1753 -108825.4258 300.2767 -161074.6011 -108462.5602 300.6294 -41.3639 -8.6450 761776.0584 13.8199 13.6948 PRESSURE: 1180800 -82.5774 42.3365 -53.6846 42.3364 -407.046 -55.4978 -53.6847 -55.4961 77.9852 GPRESSURE: 1180800 -62.7101 62.5138 -78.5317 87.1696 -365.843 41.1476 -38.2849 -189.943 99.3182 PRESSAVG: 1180800 -35.4804 -47.5273 1.79535 -47.5273 5.91657 -12.1822 1.79534 -12.1822 -17.5584 GPRESSAVG: 1180800 -33.7229 -47.0827 0.990702 -45.8246 3.32614 -11.0551 2.58823 -15.1676 -16.908 TIMING: 1180800 CPU: 3739.96, 0.00317615/step Wall: 3739.96, 0.00317615/step, 3.36954 hours remaining, 238.113281 MB of memory in use. ENERGY: 1180800 3946.5947 20736.6964 14487.9240 245.8532 -202458.8075 2153.4517 0.0000 0.0000 52128.2746 -108760.0130 299.5819 -160888.2876 -108399.7617 300.4775 -137.2128 -109.7448 763444.3343 -15.7074 -15.7683 PRESSURE: 1181000 67.0326 158.343 -53.8205 158.343 365.344 -160.335 -53.8198 -160.335 429.899 GPRESSURE: 1181000 52.4092 81.7697 -72.9912 81.8603 413.032 -146.462 -5.40153 -175.562 481.662 PRESSAVG: 1181000 46.749 4.30888 11.2398 4.30885 -76.821 -7.98985 11.2398 -7.98973 40.8572 GPRESSAVG: 1181000 45.0465 3.4231 11.649 2.10809 -75.3429 -6.02427 12.1727 -7.55075 41.1241 TIMING: 1181000 CPU: 3740.6, 0.00317269/step Wall: 3740.6, 0.00317269/step, 3.3657 hours remaining, 238.113281 MB of memory in use. ENERGY: 1181000 3999.6765 20521.8973 14438.1334 247.1961 -203204.8063 2679.6839 0.0000 0.0000 52069.8665 -109248.3525 299.2462 -161318.2190 -108884.2206 300.0096 287.4252 315.7011 761527.4908 3.5951 3.6092 PRESSURE: 1181200 -46.4084 39.9918 184.099 39.9917 -256.98 -78.0747 184.099 -78.0752 -38.3246 GPRESSURE: 1181200 0.722259 -51.2851 151.254 -58.5009 -183.363 -55.4087 149.29 -152.221 -57.7284 PRESSAVG: 1181200 -20.8139 12.8367 17.2749 12.8366 -28.4701 17.3042 17.2749 17.3042 -4.69765 GPRESSAVG: 1181200 -19.6736 11.3383 15.1322 16.9091 -28.1969 16.239 19.1655 16.9931 -6.05706 TIMING: 1181200 CPU: 3741.24, 0.00320078/step Wall: 3741.24, 0.00320078/step, 3.39532 hours remaining, 238.113281 MB of memory in use. ENERGY: 1181200 3900.3866 20563.8804 14398.6520 251.1595 -202673.6095 2372.4459 0.0000 0.0000 52053.5489 -109133.5362 299.1525 -161187.0851 -108767.6277 299.7838 -113.9043 -80.1231 761164.3736 -17.9939 -17.9759 PRESSURE: 1181400 363.841 187.197 -12.7405 187.198 -38.4849 155.467 -12.7406 155.467 -398.79 GPRESSURE: 1181400 357.1 227.672 9.84788 113.869 12.4249 84.6742 -119.003 292.61 -362.981 PRESSAVG: 1181400 70.5331 -68.374 43.1319 -68.3739 -71.694 25.0941 43.1318 25.0941 11.6766 GPRESSAVG: 1181400 70.9654 -67.7051 42.9409 -71.5072 -72.7798 21.3867 40.646 27.1202 12.7705 TIMING: 1181400 CPU: 3741.88, 0.0031796/step Wall: 3741.88, 0.0031796/step, 3.37267 hours remaining, 238.113281 MB of memory in use. ENERGY: 1181400 4064.3018 20681.6367 14469.9140 254.4507 -203301.4704 2606.2637 0.0000 0.0000 52312.7443 -108912.1593 300.6421 -161224.9036 -108559.9074 300.1243 -24.4781 2.1811 763548.3346 3.5052 3.6520 PRESSURE: 1181600 441.283 105.205 -117.119 105.205 296.673 -243.864 -117.12 -243.864 109.651 GPRESSURE: 1181600 450.722 47.5956 7.6201 287.062 344.971 -366.28 -93.6581 -245.422 135.931 PRESSAVG: 1181600 78.5355 -13.6396 -23.9615 -13.6397 -73.8156 5.47133 -23.9615 5.47132 -0.977097 GPRESSAVG: 1181600 77.7431 -11.0159 -21.1139 -15.141 -72.5999 8.213 -23.7947 3.60072 -1.44304 TIMING: 1181600 CPU: 3742.51, 0.00318135/step Wall: 3742.51, 0.00318135/step, 3.37435 hours remaining, 238.113281 MB of memory in use. ENERGY: 1181600 3969.6934 20533.5350 14417.1841 255.0809 -203238.6274 2725.7223 0.0000 0.0000 52557.0450 -108780.3667 302.0461 -161337.4117 -108411.8179 300.3404 282.5358 310.5410 762227.4044 1.2476 1.2334 PRESSURE: 1181800 -162.007 111.703 362.532 111.702 -14.3105 -15.3429 362.532 -15.3437 -278.362 GPRESSURE: 1181800 -68.1708 154.075 363.365 78.0932 -83.8219 -44.0815 92.6122 32.8886 -228.891 PRESSAVG: 1181800 -25.7377 -6.37746 -36.4673 -6.37745 30.8575 12.1601 -36.4673 12.1601 -21.4321 GPRESSAVG: 1181800 -23.4504 -7.03606 -36.9165 -4.97323 29.5718 11.9733 -38.0742 11.9562 -22.5023 TIMING: 1181800 CPU: 3743.15, 0.00316954/step Wall: 3743.15, 0.00316954/step, 3.36165 hours remaining, 238.113281 MB of memory in use. ENERGY: 1181800 4062.6839 20612.7503 14505.5187 248.9908 -203387.2365 2681.4609 0.0000 0.0000 52408.5192 -108867.3127 301.1925 -161275.8320 -108504.4346 301.5114 -151.5597 -126.9612 762081.1656 -5.4374 -5.4603 PRESSURE: 1182000 206.234 -260.029 157.282 -260.03 -44.1038 -167.006 157.283 -167.005 -100.531 GPRESSURE: 1182000 291.626 -160.298 78.6604 -324.385 -26.9093 -137.023 150.796 -140.006 -118.661 PRESSAVG: 1182000 5.81179 -58.9077 -34.8096 -58.9077 -22.8346 32.9533 -34.8096 32.9533 -27.6412 GPRESSAVG: 1182000 4.21567 -58.065 -36.2991 -59.0049 -21.3753 33.1708 -34.4527 34.1927 -26.8678 TIMING: 1182000 CPU: 3743.78, 0.00316612/step Wall: 3743.78, 0.00316612/step, 3.35784 hours remaining, 238.113281 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: 1182000 4061.6369 20558.0001 14441.6454 254.4210 -203353.7528 2891.4252 0.0000 0.0000 52043.8371 -109102.7871 299.0966 -161146.6242 -108737.6851 300.3163 20.5328 48.6853 762414.1636 -14.8880 -14.6758 PRESSURE: 1182200 235.144 334.294 -201.745 334.295 -54.2774 71.6286 -201.744 71.6285 -57.0881 GPRESSURE: 1182200 284.285 377.172 -168.716 244.794 -3.67902 143.329 -177.464 -5.23901 -56.372 PRESSAVG: 1182200 -7.00002 44.2813 -0.542824 44.2813 19.8081 10.3157 -0.542856 10.3157 2.9317 GPRESSAVG: 1182200 -7.16323 43.7215 1.14218 43.3985 19.7876 11.0622 0.925587 7.69019 3.1196 TIMING: 1182200 CPU: 3744.41, 0.00316849/step Wall: 3744.41, 0.00316849/step, 3.36018 hours remaining, 238.113281 MB of memory in use. ENERGY: 1182200 3989.2057 20508.1985 14382.1059 260.7197 -203648.3222 2857.3024 0.0000 0.0000 52480.5752 -109170.2147 301.6066 -161650.7899 -108803.8548 300.1470 41.2595 74.7446 759549.9654 5.2466 5.2480 PRESSURE: 1182400 262.635 148.398 -331.781 148.397 -6.30124 76.0055 -331.782 76.0057 239.817 GPRESSURE: 1182400 320.309 226.326 -228.598 132.771 17.3839 28.0592 -250.03 88.1397 228.149 PRESSAVG: 1182400 56.7315 47.3058 5.37947 47.3058 -46.7041 -36.1919 5.37938 -36.1919 -13.2403 GPRESSAVG: 1182400 57.2666 44.8416 4.44015 49.6852 -47.4516 -36.966 5.136 -35.9748 -13.3888 TIMING: 1182400 CPU: 3745.05, 0.00316505/step Wall: 3745.05, 0.00316505/step, 3.35636 hours remaining, 238.113281 MB of memory in use. ENERGY: 1182400 3978.8614 20494.1554 14470.2691 239.6875 -203353.2112 2482.2076 0.0000 0.0000 52151.2868 -109536.7433 299.7142 -161688.0301 -109168.6161 300.1723 165.3838 188.6140 760094.3861 -1.0710 -1.1913 PRESSURE: 1182600 -344.985 -68.4227 320.972 -68.4224 11.2292 96.2899 320.972 96.2898 -80.22 GPRESSURE: 1182600 -254.836 -14.3223 240.76 -49.6898 -5.95578 28.5225 247.108 149.58 -72.1817 PRESSAVG: 1182600 28.5705 11.1925 61.6937 11.1925 -22.793 -5.13588 61.6937 -5.13591 0.18092 GPRESSAVG: 1182600 29.1137 12.901 61.4843 10.254 -22.5482 -8.06186 61.5258 -1.57175 -0.310853 TIMING: 1182600 CPU: 3745.67, 0.00314304/step Wall: 3745.67, 0.00314304/step, 3.33284 hours remaining, 238.113281 MB of memory in use. ENERGY: 1182600 4025.8448 20574.9882 14397.2504 233.9754 -202972.5470 2277.8037 0.0000 0.0000 51888.9974 -109573.6871 298.2068 -161462.6845 -109207.7049 299.1439 -137.9919 -110.9912 763729.4284 1.9861 2.0849 PRESSURE: 1182800 285.732 -38.8735 -51.0156 -38.873 -267.252 -67.1103 -51.0158 -67.1099 588.148 GPRESSURE: 1182800 173.257 -6.42022 -176.239 -109.25 -14.7442 -13.3972 -13.4084 87.3779 538.682 PRESSAVG: 1182800 51.8627 5.28598 44.4934 5.28608 -34.9322 11.9146 44.4933 11.9145 2.78051 GPRESSAVG: 1182800 50.8906 4.92778 43.6024 4.18799 -34.136 13.6884 43.8389 9.6597 2.83999 TIMING: 1182800 CPU: 3746.31, 0.00315955/step Wall: 3746.31, 0.00315955/step, 3.35018 hours remaining, 238.113281 MB of memory in use. ENERGY: 1182800 3999.1646 20443.8543 14485.0818 258.2789 -203692.8206 2915.3978 0.0000 0.0000 52024.0622 -109566.9811 298.9830 -161591.0433 -109203.9810 299.3134 202.2095 232.3984 759206.2307 6.5704 6.5315 PRESSURE: 1183000 -40.7968 1.12342 -18.458 1.1242 -116.916 69.6992 -18.4585 69.6984 -91.0094 GPRESSURE: 1183000 59.0284 -67.0032 -30.0326 131.351 -170.116 57.5638 54.4579 156.614 -57.975 PRESSAVG: 1183000 82.2905 -3.44281 16.6289 -3.44284 -64.8005 69.4791 16.6289 69.4791 -15.7593 GPRESSAVG: 1183000 83.1104 -4.02296 18.9257 -1.88731 -65.4884 69.4666 16.3897 70.9159 -16.2389 TIMING: 1183000 CPU: 3746.94, 0.00316732/step Wall: 3746.94, 0.00316732/step, 3.35823 hours remaining, 238.113281 MB of memory in use. ENERGY: 1183000 4023.2195 20638.4610 14418.8264 253.6398 -203489.2959 2491.5638 0.0000 0.0000 52181.8404 -109481.7450 299.8898 -161663.5853 -109124.0813 299.4564 -82.9074 -56.3543 760645.3104 0.5769 0.4610 PRESSURE: 1183200 -110.872 -130.202 52.369 -130.201 -83.7472 -6.49822 52.3699 -6.49683 33.6769 GPRESSURE: 1183200 -16.0385 31.5688 84.4481 -100.086 -6.32036 67.5602 -50.6764 -82.3016 -50.7001 PRESSAVG: 1183200 -28.7745 23.4905 -17.5166 23.4904 3.02362 58.2183 -17.5166 58.2184 -2.51457 GPRESSAVG: 1183200 -29.3863 24.9289 -18.6798 22.5284 3.27643 58.3467 -17.4428 57.3993 -1.92295 TIMING: 1183200 CPU: 3747.57, 0.0031607/step Wall: 3747.57, 0.0031607/step, 3.35104 hours remaining, 238.113281 MB of memory in use. ENERGY: 1183200 4021.0856 20440.5937 14461.1383 259.2471 -202824.0046 2260.4148 0.0000 0.0000 52001.9573 -109379.5677 298.8560 -161381.5250 -109011.4509 299.0588 -53.6474 -24.3530 762195.8813 -9.4218 -9.3443 PRESSURE: 1183400 230.288 91.2248 79.1763 91.2251 308.517 21.9682 79.1757 21.97 140.713 GPRESSURE: 1183400 81.5661 80.4904 92.4069 48.5811 422.976 55.3032 37.4625 39.391 257.341 PRESSAVG: 1183400 32.546 -14.0624 -12.3426 -14.0624 -17.3307 -31.4072 -12.3425 -31.4073 3.52667 GPRESSAVG: 1183400 33.0303 -13.6489 -12.936 -13.3724 -18.5669 -30.9161 -13.4038 -32.2931 3.86899 TIMING: 1183400 CPU: 3748.2, 0.00314886/step Wall: 3748.2, 0.00314886/step, 3.33832 hours remaining, 238.113281 MB of memory in use. ENERGY: 1183400 3898.3947 20544.2076 14538.4392 255.4883 -203796.8056 2881.4274 0.0000 0.0000 52078.5328 -109600.3155 299.2960 -161678.8483 -109229.6047 299.1214 226.5062 253.9608 761033.2677 6.2473 6.1108 PRESSURE: 1183600 427.466 127.223 -129.365 127.223 -353.313 -77.7235 -129.365 -77.7231 5.78376 GPRESSURE: 1183600 392.198 2.39544 -185.044 88.6153 -172.497 -5.81564 -161.73 -149.213 -40.0717 PRESSAVG: 1183600 52.9143 -25.7442 30.8794 -25.7443 -58.0431 34.5663 30.8794 34.5663 -3.20004 GPRESSAVG: 1183600 52.5431 -28.0304 31.1401 -26.7264 -57.0474 35.6279 31.4867 34.5041 -3.71104 TIMING: 1183600 CPU: 3748.84, 0.00319588/step Wall: 3748.84, 0.00319588/step, 3.38799 hours remaining, 238.113281 MB of memory in use. ENERGY: 1183600 3998.6325 20569.4275 14386.4638 244.6532 -203557.4227 2715.3927 0.0000 0.0000 51920.8547 -109721.9983 298.3899 -161642.8530 -109355.8783 299.0840 26.6454 59.8765 762440.4157 -2.7763 -2.7385 PRESSURE: 1183800 -131.771 -30.7193 -136.689 -30.7197 263.868 71.2282 -136.69 71.2272 -117.277 GPRESSURE: 1183800 -18.5456 11.3652 -93.996 -67.0476 244.031 99.3192 -20.1532 14.2611 -130.76 PRESSAVG: 1183800 37.9817 -28.8392 -8.07802 -28.8391 -2.58893 -2.06336 -8.07799 -2.06328 9.80603 GPRESSAVG: 1183800 37.6817 -25.9426 -8.91959 -28.1601 -2.31666 -3.24851 -6.49285 -2.14914 9.74226 TIMING: 1183800 CPU: 3749.47, 0.00317264/step Wall: 3749.47, 0.00317264/step, 3.36317 hours remaining, 238.113281 MB of memory in use. ENERGY: 1183800 4011.9806 20531.4032 14474.0712 248.9402 -203261.2201 2657.7351 0.0000 0.0000 51684.1982 -109652.8917 297.0298 -161337.0899 -109295.9648 298.3483 4.9398 31.5754 762141.1440 15.0663 15.0358 PRESSURE: 1184000 -148.297 162.853 49.8986 162.853 -88.5789 -27.0382 49.8987 -27.0374 -30.7959 GPRESSURE: 1184000 -122.067 77.074 71.7936 142.675 -65.9215 -50.8318 89.8208 -95.1057 10.2273 PRESSAVG: 1184000 -2.24132 -29.6767 9.39925 -29.6766 -5.46963 45.8505 9.39922 45.8505 9.11822 GPRESSAVG: 1184000 -1.77752 -32.7459 9.80589 -30.7925 -5.80519 44.8026 8.82368 45.3884 9.38242 TIMING: 1184000 CPU: 3750.11, 0.00316107/step Wall: 3750.11, 0.00316107/step, 3.35074 hours remaining, 238.113281 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: 1184000 3934.9980 20334.6001 14459.1565 266.9147 -203099.3798 2434.0680 0.0000 0.0000 52009.9297 -109659.7128 298.9018 -161669.6425 -109290.1270 297.9273 -89.2240 -59.2537 760832.6850 0.4691 0.5999 PRESSURE: 1184200 -25.0998 -80.8783 52.7542 -80.8786 230.821 -49.1106 52.7537 -49.11 285.998 GPRESSURE: 1184200 27.7983 -54.6714 50.4232 -169.675 239.798 -23.0992 3.91223 -39.1171 304.919 PRESSAVG: 1184200 30.3441 -54.8386 2.23872 -54.8386 9.25079 31.1754 2.23876 31.1754 6.25135 GPRESSAVG: 1184200 29.774 -54.5595 2.37329 -53.9103 9.45005 30.9781 0.845755 32.6669 6.3176 TIMING: 1184200 CPU: 3750.74, 0.00315518/step Wall: 3750.74, 0.00315518/step, 3.34432 hours remaining, 238.113281 MB of memory in use. ENERGY: 1184200 3966.7276 20274.9430 14521.1244 246.6263 -203139.7472 2667.5440 0.0000 0.0000 51905.5295 -109557.2526 298.3018 -161462.7821 -109189.6438 298.6645 163.9064 190.8382 759141.6028 15.2821 15.1805 LDB: ============= START OF LOAD BALANCING ============== 3763.19 LDB: ============== END OF LOAD BALANCING =============== 3763.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3763.19 LDB: ============= START OF LOAD BALANCING ============== 3763.51 LDB: Largest compute 7068 load 0.035483 is 18.2% of average load 0.195166 LDB: Average compute 0.004414 is 2.3% of average load 0.195166 LDB: TIME 3763.52 LOAD: AVG 0.195166 MAX 0.214628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.914 MB LDB: TIME 3763.52 LOAD: AVG 0.195166 MAX 0.214628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.027 MB LDB: TIME 3763.52 LOAD: AVG 0.195166 MAX 0.214628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.027 MB LDB: ============== END OF LOAD BALANCING =============== 3763.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3763.52 PRESSURE: 1184400 -153.495 -52.449 192.193 -52.4491 -127.501 -56.7796 192.192 -56.7789 88.643 GPRESSURE: 1184400 -125.525 -19.4413 95.1685 25.111 -72.8071 -41.6614 215.843 60.5441 90.9173 PRESSAVG: 1184400 -6.47965 -45.7221 6.88882 -45.7221 -4.13931 -11.4327 6.88884 -11.4328 37.2136 GPRESSAVG: 1184400 -5.34444 -44.3947 8.58866 -46.1424 -5.33308 -12.331 5.70741 -11.0292 37.3084 TIMING: 1184400 CPU: 3751.39, 0.00324469/step Wall: 3751.39, 0.00324469/step, 3.43901 hours remaining, 237.343750 MB of memory in use. ENERGY: 1184400 3989.4523 20597.6679 14437.0637 226.8991 -202928.1538 2264.3806 0.0000 0.0000 51747.4397 -109665.2504 297.3932 -161412.6902 -109313.9810 298.5142 -64.1177 -35.8048 760420.1119 8.8649 8.8770 PRESSURE: 1184600 -185.845 221.467 -130.527 221.467 -403.298 62.7751 -130.526 62.7762 -378.378 GPRESSURE: 1184600 -93.6265 97.2146 -110.679 182.484 -389.728 46.6825 -114.371 103.13 -392.2 PRESSAVG: 1184600 -19.4627 -60.4156 -21.1449 -60.4156 9.69456 28.5372 -21.1449 28.5372 -5.14374 GPRESSAVG: 1184600 -19.8088 -59.6162 -21.4543 -61.1196 10.3264 29.0356 -19.4656 29.2406 -5.27538 TIMING: 1184600 CPU: 3752.02, 0.00316121/step Wall: 3752.02, 0.00316121/step, 3.35036 hours remaining, 237.750000 MB of memory in use. ENERGY: 1184600 4027.3259 20516.8765 14434.6286 241.1325 -202848.6759 2110.8658 0.0000 0.0000 51797.6375 -109720.2091 297.6817 -161517.8466 -109356.9771 298.2454 -322.5072 -291.8515 761160.8393 -4.9706 -4.9193 PRESSURE: 1184800 -155.839 31.6094 65.4363 31.6097 122.931 0.733053 65.4355 0.731597 -173.423 GPRESSURE: 1184800 -192.541 106.436 97.2376 1.34182 131.031 -45.6189 171.515 130.899 -68.5115 PRESSAVG: 1184800 -63.8894 -12.6815 53.6371 -12.6814 58.5526 22.2961 53.6371 22.2961 -21.4647 GPRESSAVG: 1184800 -65.136 -15.0017 52.3757 -11.2199 60.2738 22.673 53.7527 21.8033 -21.6427 TIMING: 1184800 CPU: 3752.65, 0.00315989/step Wall: 3752.65, 0.00315989/step, 3.34878 hours remaining, 237.750000 MB of memory in use. ENERGY: 1184800 4010.5779 20586.0545 14432.0935 243.8977 -203385.9347 2460.5629 0.0000 0.0000 52124.5872 -109528.1610 299.5607 -161652.7482 -109174.0862 298.4649 -68.7769 -43.3406 760316.8540 -8.9338 -8.8350 PRESSURE: 1185000 223.767 -71.2091 -100.044 -71.2092 -376.331 67.3365 -100.045 67.3384 89.4777 GPRESSURE: 1185000 236.687 -128.372 -87.6984 57.8504 -337.715 83.7312 -109.242 -76.8845 133.941 PRESSAVG: 1185000 -24.1638 -7.69376 45.0655 -7.69381 26.6648 8.85116 45.0655 8.85118 -5.77415 GPRESSAVG: 1185000 -23.2744 -7.22166 46.6217 -6.84858 25.5533 8.29206 46.3681 8.35074 -5.82287 TIMING: 1185000 CPU: 3753.29, 0.00318764/step Wall: 3753.29, 0.00318764/step, 3.37801 hours remaining, 237.750000 MB of memory in use. ENERGY: 1185000 4029.1153 20434.7083 14461.0838 245.6332 -203239.3559 2559.7234 0.0000 0.0000 51815.7130 -109693.3789 297.7856 -161509.0918 -109346.7737 298.5045 -21.0289 10.9709 761046.2794 -1.0911 -1.1813 PRESSURE: 1185200 -388.38 171.524 143.839 171.524 152.089 170.982 143.839 170.984 -315.368 GPRESSURE: 1185200 -295.575 236.381 68.4797 65.8446 64.0025 137.913 108.397 157.285 -216.003 PRESSAVG: 1185200 68.2046 25.8201 53.0001 25.82 -32.9445 -9.95989 53.0001 -9.95998 16.9073 GPRESSAVG: 1185200 67.7613 24.5621 50.8483 25.6269 -32.7425 -7.26122 52.6814 -11.2078 17.0039 TIMING: 1185200 CPU: 3753.92, 0.00317377/step Wall: 3753.92, 0.00317377/step, 3.36314 hours remaining, 237.750000 MB of memory in use. ENERGY: 1185200 3961.2532 20379.9129 14440.9966 226.3783 -203068.8811 2206.4259 0.0000 0.0000 52269.4318 -109584.4824 300.3931 -161853.9142 -109215.2581 299.1805 -183.8864 -149.1917 761235.5146 17.3891 17.3409 PRESSURE: 1185400 -175.965 41.6135 56.9983 41.6134 225.09 -119.091 56.9984 -119.092 223.668 GPRESSURE: 1185400 -197.208 -131.458 21.054 0.852926 327.528 -26.8566 123.086 -90.0425 231.315 PRESSAVG: 1185400 -17.7624 10.8354 19.6759 10.8354 2.6701 -37.1905 19.6759 -37.1906 -20.394 GPRESSAVG: 1185400 -17.5615 11.4148 19.2918 10.7385 3.39972 -36.9875 18.1484 -37.6074 -20.8795 TIMING: 1185400 CPU: 3754.56, 0.00317676/step Wall: 3754.56, 0.00317676/step, 3.36613 hours remaining, 237.750000 MB of memory in use. ENERGY: 1185400 4043.4563 20520.7734 14464.6330 254.0667 -203752.7991 2921.5738 0.0000 0.0000 51932.7745 -109615.5214 298.4584 -161548.2959 -109259.4988 298.8198 90.9311 120.5448 760743.1135 -11.8288 -11.6804 PRESSURE: 1185600 157.455 -146.798 -110.438 -146.797 410.273 -91.3855 -110.437 -91.3862 97.0918 GPRESSURE: 1185600 227.378 -148.435 -33.7631 -144.753 437.485 -117.78 -48.6734 10.8469 89.4467 PRESSAVG: 1185600 -71.9041 -15.786 66.1166 -15.7861 54.7131 43.6653 66.1166 43.6653 -17.7413 GPRESSAVG: 1185600 -72.0557 -14.1355 67.6531 -15.4986 53.6204 42.7118 66.3678 44.7347 -17.1117 TIMING: 1185600 CPU: 3755.2, 0.00319356/step Wall: 3755.2, 0.00319356/step, 3.38375 hours remaining, 237.750000 MB of memory in use. ENERGY: 1185600 3982.6735 20427.8628 14483.7657 236.4744 -203737.7787 2788.6532 0.0000 0.0000 52040.4296 -109777.9195 299.0771 -161818.3491 -109415.1187 298.7550 221.6064 251.4366 759264.1355 -11.6441 -11.8490 PRESSURE: 1185800 -135.441 -241.27 72.4588 -241.271 -219.391 -32.6465 72.4586 -32.6471 -173.723 GPRESSURE: 1185800 -63.5051 -228.045 52.4616 -318.878 -175.017 -61.9661 -106.298 -95.463 -221.521 PRESSAVG: 1185800 18.7019 17.823 2.79364 17.823 22.4539 -37.6869 2.79359 -37.6868 -39.9612 GPRESSAVG: 1185800 19.0537 15.4908 3.35216 19.0216 22.6048 -39.2458 1.26405 -38.981 -40.8301 TIMING: 1185800 CPU: 3755.84, 0.00319552/step Wall: 3755.84, 0.00319552/step, 3.38566 hours remaining, 237.750000 MB of memory in use. ENERGY: 1185800 4016.1374 20437.4982 14521.2258 256.8690 -202974.9530 2234.4746 0.0000 0.0000 51794.5099 -109714.2381 297.6638 -161508.7480 -109350.8568 298.7178 -176.1850 -153.3476 761182.9018 0.3982 0.2762 PRESSURE: 1186000 -218.392 2.86158 -57.8172 2.86152 -263.753 -39.2474 -57.8176 -39.2479 -215.836 GPRESSURE: 1186000 -150.767 62.0074 -39.2875 8.76724 -268.904 -33.367 -88.7531 26.1487 -181.17 PRESSAVG: 1186000 -1.82172 43.724 14.5196 43.7241 29.6462 -13.1604 14.5195 -13.1604 10.7245 GPRESSAVG: 1186000 -0.942005 45.4574 14.5022 41.137 29.1682 -11.9681 15.8538 -9.40774 10.802 TIMING: 1186000 CPU: 3756.48, 0.00319348/step Wall: 3756.48, 0.00319348/step, 3.38332 hours remaining, 237.750000 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: 1186000 3993.8040 20488.7735 14464.3330 242.5397 -203626.3158 2606.8060 0.0000 0.0000 52219.8661 -109610.1935 300.1083 -161830.0596 -109245.4496 298.9344 -232.6600 -200.2804 761458.4594 12.8497 13.0094 PRESSURE: 1186200 112.994 235.696 -344.799 235.696 192.921 90.171 -344.799 90.1705 305.027 GPRESSURE: 1186200 201.524 217.067 -286.814 168.759 236.268 -19.7646 -190.244 144.814 281.035 PRESSAVG: 1186200 22.3491 4.89603 5.00514 4.89601 4.12096 -19.9757 5.00511 -19.9758 13.4334 GPRESSAVG: 1186200 19.8373 2.18701 5.0396 4.90051 5.33443 -21.5929 5.97202 -23.6814 14.3274 TIMING: 1186200 CPU: 3757.11, 0.00319009/step Wall: 3757.11, 0.00319009/step, 3.37955 hours remaining, 237.750000 MB of memory in use. ENERGY: 1186200 4003.4976 20457.2223 14573.0261 243.1499 -203202.3297 2605.6314 0.0000 0.0000 52100.0933 -109219.7090 299.4200 -161319.8023 -108859.5605 299.3242 203.6476 239.6094 761149.4330 13.3011 13.1664 PRESSURE: 1186400 238.386 160.989 382.925 160.99 -281.063 57.4439 382.924 57.4434 48.3553 GPRESSURE: 1186400 191.531 118.533 386.3 100.974 -160.228 146.455 301.834 95.2216 46.1072 PRESSAVG: 1186400 43.7572 2.08045 30.2393 2.08047 -65.2226 11.8255 30.2393 11.8255 8.34199 GPRESSAVG: 1186400 44.8424 5.6882 29.7117 4.43003 -66.0029 13.4219 33.0156 11.8509 7.82062 TIMING: 1186400 CPU: 3757.76, 0.00320814/step Wall: 3757.76, 0.00320814/step, 3.39849 hours remaining, 237.750000 MB of memory in use. ENERGY: 1186400 3958.0515 20545.3334 14557.2636 242.9503 -202943.7366 2464.8958 0.0000 0.0000 51996.6895 -109178.5526 298.8257 -161175.2421 -108817.8585 299.7532 1.8926 25.8032 760622.3230 -4.3745 -4.4466 PRESSURE: 1186600 92.8702 -115.876 214.512 -115.876 37.0498 172.764 214.511 172.764 -116.097 GPRESSURE: 1186600 63.5974 -174.517 255.762 29.6852 83.7043 168.696 226.234 168.191 -70.5224 PRESSAVG: 1186600 31.8543 -16.0665 36.3575 -16.0664 29.2708 21.127 36.3575 21.1271 -4.89783 GPRESSAVG: 1186600 31.8449 -16.5899 36.4872 -16.7122 28.8493 21.9604 31.9625 21.2417 -4.28 TIMING: 1186600 CPU: 3758.39, 0.00317409/step Wall: 3758.39, 0.00317409/step, 3.36224 hours remaining, 237.750000 MB of memory in use. ENERGY: 1186600 3990.1279 20485.0837 14391.8290 250.2733 -203134.5253 2658.9235 0.0000 0.0000 52421.0463 -108937.2416 301.2645 -161358.2879 -108566.6272 299.9932 4.6075 25.5931 762599.5951 18.7424 18.8047 PRESSURE: 1186800 -19.5627 -134.201 4.21098 -134.202 -236.601 -269.399 4.21097 -269.399 -556.814 GPRESSURE: 1186800 22.2844 -47.3401 -83.3121 -160.65 -233.553 -276.683 85.974 -181.147 -519.406 PRESSAVG: 1186800 8.9409 -6.4594 39.7587 -6.45945 -15.1638 73.378 39.7587 73.378 17.7386 GPRESSAVG: 1186800 8.79777 -5.56409 37.6857 -6.91151 -14.0154 71.4392 41.7056 74.3075 16.3838 TIMING: 1186800 CPU: 3759.03, 0.00319394/step Wall: 3759.03, 0.00319394/step, 3.38309 hours remaining, 237.750000 MB of memory in use. ENERGY: 1186800 4052.2172 20443.8394 14466.7474 253.6161 -203088.1008 2549.9704 0.0000 0.0000 52199.4968 -109122.2135 299.9912 -161321.7103 -108752.3185 300.4375 -270.9928 -243.5583 761085.3819 3.8386 3.7221 PRESSURE: 1187000 129.457 159.55 -24.0164 159.549 -318.971 33.1897 -24.0167 33.1908 -139.144 GPRESSURE: 1187000 194.407 63.9989 -27.4219 135.678 -343.911 59.2953 -4.01207 41.4044 -85.6295 PRESSAVG: 1187000 47.8012 -8.55123 -7.18539 -8.55127 -84.5158 3.51068 -7.1854 3.51072 27.6412 GPRESSAVG: 1187000 47.2867 -9.51551 -6.60483 -6.75875 -85.1815 2.57062 -5.76355 2.91183 28.1638 TIMING: 1187000 CPU: 3759.66, 0.00317808/step Wall: 3759.66, 0.00317808/step, 3.36612 hours remaining, 237.750000 MB of memory in use. ENERGY: 1187000 4042.1026 20570.6000 14426.4032 251.3195 -203676.2449 2917.5764 0.0000 0.0000 52467.8594 -109000.3839 301.5335 -161468.2433 -108638.3006 300.1770 -109.5528 -78.3779 762422.1112 -3.0245 -3.2436 PRESSURE: 1187200 418.274 -21.8882 159.652 -21.8879 61.8743 68.5024 159.652 68.5023 328.692 GPRESSURE: 1187200 444.734 -32.0581 217.874 -57.1992 155.371 39.8784 156.075 -39.0051 308.095 PRESSAVG: 1187200 34.1287 10.4998 45.3983 10.4998 -32.0973 27.626 45.3982 27.626 -12.3386 GPRESSAVG: 1187200 33.7695 10.9652 45.7543 6.82653 -30.996 28.5181 42.7322 27.2854 -12.3825 TIMING: 1187200 CPU: 3760.3, 0.00318761/step Wall: 3760.3, 0.00318761/step, 3.37603 hours remaining, 237.750000 MB of memory in use. ENERGY: 1187200 4003.6178 20520.5848 14391.7333 257.7303 -203261.0522 2600.0959 0.0000 0.0000 52374.1770 -109113.1131 300.9951 -161487.2901 -108752.4824 300.6666 269.6135 302.7333 761577.5282 -3.4358 -3.2030 PRESSURE: 1187400 9.73836 168.849 -99.7715 168.849 -79.3551 99.2903 -99.772 99.2903 -82.2869 GPRESSURE: 1187400 -62.1957 75.3693 -30.3832 116.42 31.951 86.3936 -106.384 228.095 -47.5759 PRESSAVG: 1187400 -46.7029 -67.5866 12.4719 -67.5867 60.9107 48.9288 12.4718 48.9288 -20.9258 GPRESSAVG: 1187400 -46.331 -70.0735 14.3034 -66.6172 61.3443 49.6156 12.2825 50.1561 -21.6136 TIMING: 1187400 CPU: 3760.94, 0.0032018/step Wall: 3760.94, 0.0032018/step, 3.39088 hours remaining, 237.750000 MB of memory in use. ENERGY: 1187400 3962.4099 20620.3691 14415.6299 232.9732 -203274.2911 2571.3594 0.0000 0.0000 52253.8136 -109217.7360 300.3034 -161471.5496 -108856.8369 299.8797 -50.6346 -25.9402 761640.0316 -2.2393 -2.2001 PRESSURE: 1187600 -165.123 80.9567 125.018 80.957 81.9998 118.101 125.018 118.1 -155.047 GPRESSURE: 1187600 -128.971 -49.3924 50.3567 52.3761 74.7356 24.7635 75.9632 133.042 -83.5757 PRESSAVG: 1187600 -59.9281 -22.2556 2.18394 -22.2555 22.2972 27.7849 2.18398 27.7849 -3.8068 GPRESSAVG: 1187600 -58.7463 -20.4661 0.739655 -23.804 21.0368 26.4661 3.75127 27.4915 -3.53303 TIMING: 1187600 CPU: 3761.58, 0.00318619/step Wall: 3761.58, 0.00318619/step, 3.37417 hours remaining, 237.750000 MB of memory in use. ENERGY: 1187600 3951.8995 20471.7628 14495.4318 253.3615 -203533.0441 2717.9549 0.0000 0.0000 52140.8127 -109501.8210 299.6540 -161642.6337 -109143.1010 299.7077 -79.3900 -45.9371 760397.9902 -13.8126 -13.7475 PRESSURE: 1187800 -381.767 -36.4095 101.349 -36.4092 -101.734 83.3662 101.35 83.3668 -75.2735 GPRESSURE: 1187800 -256.916 1.44332 120.086 57.8778 -74.9717 45.7077 -36.8231 117.911 -149.597 PRESSAVG: 1187800 11.5102 -56.7505 29.7411 -56.7504 25.8919 32.3145 29.7411 32.3145 -16.1942 GPRESSAVG: 1187800 12.778 -56.7145 28.0778 -52.6946 24.2893 34.1188 30.1706 32.2831 -15.6657 TIMING: 1187800 CPU: 3762.22, 0.00318722/step Wall: 3762.22, 0.00318722/step, 3.37509 hours remaining, 237.750000 MB of memory in use. ENERGY: 1187800 3997.9536 20570.5031 14507.6840 253.1060 -203111.9530 2383.4302 0.0000 0.0000 52009.1951 -109390.0810 298.8976 -161399.2761 -109034.2644 299.6385 -186.2583 -160.4950 759636.7096 7.0693 7.1338 PRESSURE: 1188000 156.05 56.6241 -281.157 56.6241 140.892 -101.78 -281.157 -101.779 -235.163 GPRESSURE: 1188000 133.352 77.0063 -313.096 75.6585 202.529 -46.8081 -195.616 -32.0322 -183.34 PRESSAVG: 1188000 48.5105 4.61654 25.3199 4.61656 -32.8046 -7.62378 25.3199 -7.6239 -15.6826 GPRESSAVG: 1188000 45.3582 5.12488 28.1291 3.37193 -29.8945 -8.25268 23.6851 -9.17428 -15.3469 TIMING: 1188000 CPU: 3762.86, 0.00319903/step Wall: 3762.86, 0.00319903/step, 3.38741 hours remaining, 237.750000 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: 1188000 3980.4559 20516.4234 14489.3658 242.6512 -203171.8009 2547.1772 0.0000 0.0000 51878.7745 -109516.9528 298.1480 -161395.7273 -109156.7883 299.1678 20.5929 50.8468 761572.8982 0.0078 0.0389 PRESSURE: 1188200 -520.178 345.624 -91.3729 345.623 -174.654 -128.758 -91.3738 -128.758 226.576 GPRESSURE: 1188200 -552.622 308.436 -54.3443 311.101 -66.8301 -125.16 -13.3849 -129 211.015 PRESSAVG: 1188200 -40.1142 11.9658 68.4018 11.9659 44.1863 44.4356 68.4018 44.4356 -3.84042 GPRESSAVG: 1188200 -39.1734 10.4077 66.8592 12.0324 42.5804 44.9432 70.1414 44.538 -2.68611 TIMING: 1188200 CPU: 3763.49, 0.00316863/step Wall: 3763.49, 0.00316863/step, 3.35505 hours remaining, 237.750000 MB of memory in use. ENERGY: 1188200 4033.9509 20476.4494 14503.3102 218.6120 -203104.7738 2391.8269 0.0000 0.0000 51872.4630 -109608.1616 298.1118 -161480.6246 -109244.4554 298.9800 -156.0856 -136.1457 762276.8729 0.0772 0.2403 LDB: ============= START OF LOAD BALANCING ============== 3775.94 LDB: ============== END OF LOAD BALANCING =============== 3775.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3775.95 LDB: ============= START OF LOAD BALANCING ============== 3776.26 LDB: Largest compute 7068 load 0.036511 is 18.7% of average load 0.195043 LDB: Average compute 0.004424 is 2.3% of average load 0.195043 LDB: TIME 3776.27 LOAD: AVG 0.195043 MAX 0.214179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.602 MB LDB: TIME 3776.27 LOAD: AVG 0.195043 MAX 0.214179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: TIME 3776.27 LOAD: AVG 0.195043 MAX 0.214179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: ============== END OF LOAD BALANCING =============== 3776.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3776.27 PRESSURE: 1188400 430.192 -25.5502 25.4878 -25.5513 108.251 -26.1179 25.4875 -26.1184 -336.17 GPRESSURE: 1188400 439.867 -76.9307 35.5844 -189.291 116.027 7.11536 3.53303 -153.57 -283.932 PRESSAVG: 1188400 -68.5234 -2.49475 39.4506 -2.49475 46.3163 -29.8176 39.4506 -29.8177 -2.18489 GPRESSAVG: 1188400 -68.4596 -2.89632 39.811 -3.16247 46.7074 -29.6084 39.1191 -32.2035 -2.71394 TIMING: 1188400 CPU: 3764.14, 0.00323968/step Wall: 3764.14, 0.00323968/step, 3.4301 hours remaining, 238.113281 MB of memory in use. ENERGY: 1188400 4003.8193 20584.8697 14488.3310 234.9148 -203394.2831 2847.4455 0.0000 0.0000 52092.9631 -109141.9397 299.3790 -161234.9028 -108783.1684 298.9511 67.4241 90.6543 763189.8749 -8.1307 -8.1554 PRESSURE: 1188600 -166.168 -42.4617 -165.157 -42.4616 -110.968 -66.5196 -165.157 -66.5182 88.3325 GPRESSURE: 1188600 -118.85 -65.9295 -278.424 74.7451 -47.117 -70.4913 -74.1472 62.3379 51.5967 PRESSAVG: 1188600 20.4579 -85.8223 -8.09984 -85.8223 21.2991 -25.381 -8.09985 -25.381 13.1091 GPRESSAVG: 1188600 20.6929 -86.1804 -7.59179 -83.9174 20.9737 -25.052 -7.40807 -23.9946 13.61 TIMING: 1188600 CPU: 3764.77, 0.00316114/step Wall: 3764.77, 0.00316114/step, 3.34677 hours remaining, 238.113281 MB of memory in use. ENERGY: 1188600 3988.6472 20612.0975 14502.2554 246.8151 -203537.9346 2688.2415 0.0000 0.0000 52358.2928 -109141.5853 300.9038 -161499.8781 -108786.0819 299.3305 -62.9345 -38.1236 762123.8143 18.2887 18.4255 PRESSURE: 1188800 -383.869 -57.8508 -268.748 -57.8516 -58.7435 -393.453 -268.747 -393.454 -280.464 GPRESSURE: 1188800 -359.564 -1.9807 -242.512 -22.8493 46.5883 -381.253 -258.39 -347.314 -320.608 PRESSAVG: 1188800 -42.5409 -76.5539 -37.4526 -76.554 46.0737 -16.6507 -37.4526 -16.6506 -4.38712 GPRESSAVG: 1188800 -41.8235 -75.4762 -37.0309 -75.608 45.9445 -18.4028 -39.3254 -15.3286 -5.12704 TIMING: 1188800 CPU: 3765.41, 0.00317865/step Wall: 3765.41, 0.00317865/step, 3.36513 hours remaining, 238.113281 MB of memory in use. ENERGY: 1188800 4021.8328 20432.7690 14443.5634 252.4684 -203700.2114 2821.7492 0.0000 0.0000 52281.9050 -109445.9236 300.4648 -161727.8286 -109078.3446 299.8175 -241.0255 -211.1945 761318.8110 -0.2848 -0.3354 PRESSURE: 1189000 36.1884 -169.351 -60.448 -169.351 -150.095 108.045 -60.448 108.045 10.5063 GPRESSURE: 1189000 77.8414 -132.288 -71.5893 -99.8505 -85.8105 134.964 -85.7968 102.125 6.179 PRESSAVG: 1189000 -4.69248 -21.6867 -78.2314 -21.6866 53.9101 -15.8783 -78.2314 -15.8783 34.4008 GPRESSAVG: 1189000 -4.38579 -19.9387 -78.2394 -24.4563 54.4871 -15.8064 -78.4997 -16.3355 33.6024 TIMING: 1189000 CPU: 3766.04, 0.00317315/step Wall: 3766.04, 0.00317315/step, 3.35914 hours remaining, 238.113281 MB of memory in use. ENERGY: 1189000 4011.3376 20595.5574 14422.5629 247.8325 -203087.9467 2559.4752 0.0000 0.0000 51886.4329 -109364.7481 298.1920 -161251.1810 -109007.0026 299.3978 -34.4668 -0.5967 761849.9010 27.8728 27.9012 PRESSURE: 1189200 -314.604 -135.323 57.8305 -135.323 486.565 76.9695 57.8308 76.9694 111.135 GPRESSURE: 1189200 -254.434 -133.109 50.4253 -125.984 489.375 60.9763 -54.771 2.40839 147.925 PRESSAVG: 1189200 -29.9611 -24.7049 3.55661 -24.7049 35.54 -18.3386 3.5566 -18.3385 6.03835 GPRESSAVG: 1189200 -30.8077 -23.6356 2.38916 -25.6279 34.8979 -17.4998 3.29093 -16.6485 7.8059 TIMING: 1189200 CPU: 3766.68, 0.00319818/step Wall: 3766.68, 0.00319818/step, 3.38545 hours remaining, 238.113281 MB of memory in use. ENERGY: 1189200 4001.1866 20531.0326 14434.5153 234.4881 -203590.4249 3067.3066 0.0000 0.0000 51921.8024 -109400.0933 298.3953 -161321.8957 -109046.5997 299.1335 94.3652 127.6221 762230.0714 3.8724 3.9654 PRESSURE: 1189400 30.2326 -234.25 155.362 -234.251 -150.135 158.061 155.362 158.061 110.764 GPRESSURE: 1189400 2.86674 -194.843 172.627 -240.728 -38.5934 256.744 138.17 90.4068 93.5369 PRESSAVG: 1189400 -55.3193 9.104 18.2248 9.10396 49.0788 2.67954 18.2248 2.67951 9.64681 GPRESSAVG: 1189400 -55.8075 5.77745 19.1629 12.519 50.7029 2.43706 16.9209 -1.64744 8.56651 TIMING: 1189400 CPU: 3767.32, 0.0031923/step Wall: 3767.32, 0.0031923/step, 3.37905 hours remaining, 238.113281 MB of memory in use. ENERGY: 1189400 3971.1593 20588.1551 14463.6495 246.5841 -202771.6511 2296.6039 0.0000 0.0000 51894.5285 -109310.9707 298.2386 -161205.4992 -108956.3403 299.2011 -3.0460 19.2701 762796.6071 1.1355 1.1540 PRESSURE: 1189600 51.7261 -163.884 -135.168 -163.884 333.534 -335.855 -135.167 -335.855 -187.047 GPRESSURE: 1189600 54.8979 -136.183 -109.485 -212.877 360.97 -277.502 -79.9629 -334.449 -147.198 PRESSAVG: 1189600 -0.0188774 -34.7864 9.91038 -34.7863 -8.02634 20.2931 9.91033 20.2931 19.4775 GPRESSAVG: 1189600 1.05484 -33.9298 9.12524 -35.6552 -9.37478 20.8129 11.6941 23.7849 19.5204 TIMING: 1189600 CPU: 3767.96, 0.00318132/step Wall: 3767.96, 0.00318132/step, 3.36725 hours remaining, 238.113281 MB of memory in use. ENERGY: 1189600 3966.4453 20413.5040 14510.4265 246.0770 -203417.4645 2700.1580 0.0000 0.0000 51964.5018 -109616.3520 298.6407 -161580.8537 -109253.9352 299.0424 66.0711 89.5569 761522.6434 3.8108 3.7335 PRESSURE: 1189800 14.2686 -251.247 -115.131 -251.246 193.788 54.8097 -115.13 54.8088 -398.238 GPRESSURE: 1189800 50.4172 -271.68 -246.961 -71.0017 244.534 52.7568 -83.5129 22.7765 -391.394 PRESSAVG: 1189800 -9.86049 -4.69705 47.4985 -4.69708 10.138 28.9236 47.4986 28.9235 -10.0544 GPRESSAVG: 1189800 -10.9246 -3.58142 47.5656 -4.70676 9.62158 27.5872 46.8118 27.8362 -9.35308 TIMING: 1189800 CPU: 3768.59, 0.00318382/step Wall: 3768.59, 0.00318382/step, 3.36972 hours remaining, 238.113281 MB of memory in use. ENERGY: 1189800 4049.7719 20600.1430 14514.1372 245.5583 -203541.4826 2612.7541 0.0000 0.0000 52027.0652 -109492.0530 299.0003 -161519.1182 -109129.7065 299.1357 -63.3938 -32.1473 761100.2652 -3.2590 -3.5520 PRESSURE: 1190000 1.82808 -17.0741 63.8242 -17.0746 63.6343 105.108 63.8243 105.108 -373.905 GPRESSURE: 1190000 58.8053 14.6325 139.502 -48.003 89.6856 214.637 23.132 38.7788 -366.437 PRESSAVG: 1190000 17.5813 -35.2244 -25.1267 -35.2245 -17.0987 20.5342 -25.1267 20.5343 14.4161 GPRESSAVG: 1190000 18.6552 -35.6769 -26.3065 -37.595 -17.2588 20.9638 -23.9532 20.9229 12.9072 TIMING: 1190000 CPU: 3769.23, 0.00316857/step Wall: 3769.23, 0.00316857/step, 3.3534 hours remaining, 238.113281 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: 1190000 3971.5754 20508.1115 14491.0697 240.8798 -203429.5411 2490.7312 0.0000 0.0000 52016.6822 -109710.4914 298.9406 -161727.1736 -109346.5106 298.8212 -102.8142 -72.6488 760260.1437 4.9663 4.7678 PRESSURE: 1190200 -70.6893 -75.1346 28.6346 -75.1357 76.068 171.733 28.6344 171.734 -379.845 GPRESSURE: 1190200 -44.7992 -78.3063 -16.9288 -132.204 102.757 187.937 -6.44314 116.76 -343.389 PRESSAVG: 1190200 23.9368 18.6684 -47.9173 18.6683 -28.8263 1.26249 -47.9173 1.26245 -15.5692 GPRESSAVG: 1190200 22.6454 19.6482 -45.4294 18.413 -28.7379 1.77087 -49.6478 3.58107 -14.6117 TIMING: 1190200 CPU: 3769.86, 0.00317796/step Wall: 3769.86, 0.00317796/step, 3.36316 hours remaining, 238.113281 MB of memory in use. ENERGY: 1190200 3981.6274 20373.0631 14493.6821 253.2966 -203539.3457 2891.3866 0.0000 0.0000 51839.1560 -109707.1339 297.9203 -161546.2899 -109343.9793 298.2568 -124.8221 -95.1440 761339.8462 -6.8196 -6.9014 PRESSURE: 1190400 -147.584 82.7526 -241.403 82.7539 -58.5717 -412.019 -241.403 -412.02 -52.7049 GPRESSURE: 1190400 -72.7849 38.4117 -291.757 47.6133 27.4142 -477.002 -207.898 -250.122 -122.676 PRESSAVG: 1190400 -46.4655 24.5793 -24.2943 24.5793 22.5773 -10.8539 -24.2943 -10.8539 3.80857 GPRESSAVG: 1190400 -46.4812 23.7939 -25.8618 25.638 23.4397 -13.2028 -22.0623 -12.7662 3.1635 TIMING: 1190400 CPU: 3770.5, 0.0031877/step Wall: 3770.5, 0.0031877/step, 3.3733 hours remaining, 238.113281 MB of memory in use. ENERGY: 1190400 3950.8315 20367.4432 14433.0756 264.4347 -203291.2951 2848.6390 0.0000 0.0000 51715.3760 -109711.4951 297.2090 -161426.8712 -109345.6563 298.2160 -86.2870 -56.0155 762927.3356 -6.6932 -6.6260 PRESSURE: 1190600 173.783 -63.4247 331.914 -63.424 99.8421 96.0362 331.914 96.0355 284.357 GPRESSURE: 1190600 225.028 -205.782 320.321 -27.0892 151.914 173.202 312.306 77.7862 265.88 PRESSAVG: 1190600 -4.06533 -3.13586 -43.0705 -3.13587 23.7597 -26.1748 -43.0705 -26.1748 6.38681 GPRESSAVG: 1190600 -3.83764 -3.00467 -43.4451 -2.51352 24.482 -23.9938 -43.2264 -27.1989 5.47389 TIMING: 1190600 CPU: 3771.14, 0.00318453/step Wall: 3771.14, 0.00318453/step, 3.36976 hours remaining, 238.113281 MB of memory in use. ENERGY: 1190600 4027.2267 20382.8818 14558.0835 227.5304 -203765.7691 2886.0504 0.0000 0.0000 52099.4094 -109584.5869 299.4160 -161683.9963 -109231.1211 298.5475 185.9939 214.2742 761782.5350 8.6937 8.7061 PRESSURE: 1190800 299.904 98.7988 -318.769 98.7995 353.941 5.49842 -318.769 5.50026 144.91 GPRESSURE: 1190800 275.53 2.24459 -412.446 -52.6764 381.195 72.5947 -345.956 -22.2122 226.967 PRESSAVG: 1190800 -3.20769 -11.6902 -17.3696 -11.6902 20.3251 4.90176 -17.3696 4.90178 8.17 GPRESSAVG: 1190800 -3.56635 -13.2411 -19.2165 -14.1159 20.038 4.89411 -16.4486 7.93323 8.78139 TIMING: 1190800 CPU: 3771.77, 0.00318304/step Wall: 3771.77, 0.00318304/step, 3.36801 hours remaining, 238.113281 MB of memory in use. ENERGY: 1190800 3857.1268 20425.1821 14494.3615 250.3313 -203712.5670 3043.5762 0.0000 0.0000 52022.9824 -109619.0067 298.9768 -161641.9891 -109263.8763 298.5812 266.2516 294.5641 760839.5828 8.4291 8.4177 PRESSURE: 1191000 290.328 -205.843 -12.2029 -205.842 -6.77339 -126.007 -12.2039 -126.007 -109.512 GPRESSURE: 1191000 196.22 -235.167 21.5988 -69.3756 77.085 -125.551 79.9683 -191.217 -20.1902 PRESSAVG: 1191000 -14.8947 -68.693 -3.69026 -68.693 46.6662 -1.60134 -3.69019 -1.60137 -0.173828 GPRESSAVG: 1191000 -14.3021 -66.3786 -2.54487 -66.9356 45.3385 -2.46083 -5.83747 -3.20261 1.05638 TIMING: 1191000 CPU: 3772.41, 0.00317943/step Wall: 3772.41, 0.00317943/step, 3.36401 hours remaining, 238.113281 MB of memory in use. ENERGY: 1191000 3972.0578 20541.5560 14427.9979 253.9511 -203516.0809 2607.8121 0.0000 0.0000 52004.8766 -109707.8295 298.8727 -161712.7062 -109356.4204 299.0173 58.0140 84.3715 760156.8765 10.5325 10.6976 PRESSURE: 1191200 -231.161 19.5643 233.805 19.564 -252.307 47.7567 233.805 47.7576 -103.011 GPRESSURE: 1191200 -152.395 111.544 171.428 53.3861 -190.173 67.87 147.039 56.2541 -173.847 PRESSAVG: 1191200 -46.9994 -40.0994 14.2707 -40.0994 62.2878 20.5875 14.2707 20.5875 -9.8048 GPRESSAVG: 1191200 -46.5498 -41.5836 14.8142 -38.2856 63.1362 22.1492 16.2418 19.2931 -11.353 TIMING: 1191200 CPU: 3773.04, 0.00315774/step Wall: 3773.04, 0.00315774/step, 3.34089 hours remaining, 238.113281 MB of memory in use. ENERGY: 1191200 4015.8386 20412.7197 14489.3775 239.4297 -202725.1039 2197.8342 0.0000 0.0000 51776.2087 -109593.6955 297.5586 -161369.9042 -109235.7115 298.6680 -195.4927 -172.1383 761626.1168 1.8279 1.7445 PRESSURE: 1191400 340.377 155.016 -283.997 155.018 485.194 -3.26373 -283.997 -3.26297 143.273 GPRESSURE: 1191400 314.942 106.534 -139.274 140.636 576.313 -87.5207 -300.337 7.6664 155.699 PRESSAVG: 1191400 0.400775 -23.6312 -12.9095 -23.6311 16.7853 2.05067 -12.9095 2.0507 -14.4392 GPRESSAVG: 1191400 -0.168331 -23.8823 -12.0177 -25.9215 17.2856 1.28514 -15.7061 2.14308 -14.0647 TIMING: 1191400 CPU: 3773.67, 0.00314987/step Wall: 3773.67, 0.00314987/step, 3.33239 hours remaining, 238.113281 MB of memory in use. ENERGY: 1191400 3936.5810 20619.6546 14469.9084 274.9561 -203720.2292 2956.6539 0.0000 0.0000 51874.2654 -109588.2098 298.1221 -161462.4753 -109228.1561 298.9957 322.9480 348.9849 759662.3580 0.9156 1.0175 PRESSURE: 1191600 -149.046 -57.7845 -50.6366 -57.7838 161.628 -192.233 -50.6358 -192.234 -389.753 GPRESSURE: 1191600 -117.937 -146.256 -22.2619 -113.068 186.36 -160.217 -299.955 -205.119 -361.866 PRESSAVG: 1191600 -6.09034 10.0635 -71.0099 10.0635 -2.53249 -25.5629 -71.0099 -25.5629 26.2411 GPRESSAVG: 1191600 -5.81504 10.1919 -71.3039 10.784 -3.23485 -25.6136 -70.1093 -22.5325 26.1866 TIMING: 1191600 CPU: 3774.31, 0.00317731/step Wall: 3774.31, 0.00317731/step, 3.36124 hours remaining, 238.113281 MB of memory in use. ENERGY: 1191600 4019.7614 20396.7963 14413.6993 261.9983 -203591.9922 2625.7652 0.0000 0.0000 52364.3238 -109509.6480 300.9385 -161873.9717 -109138.1488 299.0373 -125.7239 -97.8144 761477.3527 5.8728 5.7122 PRESSURE: 1191800 -228.54 -6.6752 -252.624 -6.67509 291.986 -120.224 -252.625 -120.224 -41.1357 GPRESSURE: 1191800 -145.993 10.9065 -340.979 56.5017 296.947 -125.974 -269.155 -54.2521 -31.7142 PRESSAVG: 1191800 -29.4668 -5.32613 -70.5182 -5.32616 23.6465 -52.2197 -70.5183 -52.2197 14.7471 GPRESSAVG: 1191800 -30.1758 -4.83739 -71.2681 -5.82025 23.7117 -51.7988 -70.1235 -54.1069 15.3804 TIMING: 1191800 CPU: 3774.95, 0.00320032/step Wall: 3774.95, 0.00320032/step, 3.38541 hours remaining, 238.113281 MB of memory in use. ENERGY: 1191800 3952.1654 20467.8888 14505.1917 239.9038 -203439.5230 2647.1560 0.0000 0.0000 52151.0383 -109476.1791 299.7127 -161627.2173 -109114.1412 299.2530 7.4370 39.7465 762190.7306 2.9756 2.9721 PRESSURE: 1192000 181.492 9.44173 216.158 9.44147 500.863 -20.9627 216.158 -20.9637 203.357 GPRESSURE: 1192000 246.923 155.734 215.875 -11.5594 495.676 77.2304 249.074 -6.99151 227.52 PRESSAVG: 1192000 -8.03536 -53.0871 -20.7006 -53.087 30.6975 -2.95769 -20.7006 -2.95771 9.62697 GPRESSAVG: 1192000 -6.84212 -50.1641 -18.7979 -50.9116 29.6465 -4.21893 -21.1595 -2.8026 9.9233 TIMING: 1192000 CPU: 3775.58, 0.00317885/step Wall: 3775.58, 0.00317885/step, 3.36251 hours remaining, 238.113281 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: 1192000 3945.4869 20506.6187 14464.9421 238.1950 -203832.5442 2906.6310 0.0000 0.0000 52178.9909 -109591.6796 299.8734 -161770.6705 -109226.3701 299.2415 295.2373 323.3730 760725.4722 10.7630 10.9092 PRESSURE: 1192200 -13.3591 4.15665 116.409 4.15576 -242.566 96.7953 116.408 96.7949 141.713 GPRESSURE: 1192200 -3.51484 -0.209601 138.259 -25.2042 -163.233 115.626 11.8288 113.975 137.806 PRESSAVG: 1192200 -10.5281 -51.2158 25.1194 -51.2158 22.0973 -31.859 25.1194 -31.8589 8.20334 GPRESSAVG: 1192200 -10.7321 -55.3706 23.4943 -53.5083 22.4124 -32.2815 26.2686 -31.4235 8.13035 TIMING: 1192200 CPU: 3776.22, 0.00319135/step Wall: 3776.22, 0.00319135/step, 3.37556 hours remaining, 238.113281 MB of memory in use. ENERGY: 1192200 3991.8020 20698.6129 14540.5246 251.2616 -203465.9055 2596.6947 0.0000 0.0000 52010.5318 -109376.4778 298.9052 -161387.0096 -109016.1836 299.1040 -38.0707 -9.6476 761365.3125 6.5909 6.6036 LDB: ============= START OF LOAD BALANCING ============== 3788.67 LDB: ============== END OF LOAD BALANCING =============== 3788.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3788.67 LDB: ============= START OF LOAD BALANCING ============== 3788.99 LDB: Largest compute 7029 load 0.035753 is 18.3% of average load 0.195019 LDB: Average compute 0.004390 is 2.3% of average load 0.195019 LDB: TIME 3789 LOAD: AVG 0.195019 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.957 MB LDB: TIME 3789 LOAD: AVG 0.195019 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.957 MB LDB: TIME 3789 LOAD: AVG 0.195019 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.957 MB LDB: ============== END OF LOAD BALANCING =============== 3789 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3789 PRESSURE: 1192400 -145.779 157.279 -129.086 157.279 -126.739 167.397 -129.086 167.397 -60.3784 GPRESSURE: 1192400 -171.288 129.647 -76.2795 184.731 -49.6018 250.829 -312.719 141.737 -28.9455 PRESSAVG: 1192400 5.05228 -36.2416 -33.0049 -36.2416 8.85907 4.35548 -33.0048 4.35548 -22.0243 GPRESSAVG: 1192400 3.93341 -36.1547 -31.3573 -35.6711 9.76971 6.40036 -36.1629 2.54178 -21.5858 TIMING: 1192400 CPU: 3776.87, 0.00323694/step Wall: 3776.87, 0.00323694/step, 3.4236 hours remaining, 236.832031 MB of memory in use. ENERGY: 1192400 3987.5324 20470.5532 14525.6078 238.5151 -203438.4419 2491.5843 0.0000 0.0000 52359.9472 -109364.7018 300.9133 -161724.6490 -109006.0105 299.2090 -110.9653 -83.2783 759984.1051 -2.7043 -2.6275 PRESSURE: 1192600 70.3199 7.71621 -44.6786 7.7163 52.222 246.788 -44.6798 246.787 388.458 GPRESSURE: 1192600 173.836 -27.8235 -100.788 110.467 19.6925 246.361 -12.1534 246.648 383.643 PRESSAVG: 1192600 21.4876 -8.11766 -44.6429 -8.11762 -44.9949 29.4452 -44.643 29.4452 19.4156 GPRESSAVG: 1192600 22.2073 -7.27592 -46.653 -7.36806 -45.1883 28.3365 -41.0009 29.7323 19.0265 TIMING: 1192600 CPU: 3777.5, 0.00318898/step Wall: 3777.5, 0.00318898/step, 3.3727 hours remaining, 236.832031 MB of memory in use. ENERGY: 1192600 4010.3256 20645.5176 14474.4229 251.1726 -203345.6613 2660.7178 0.0000 0.0000 51887.5113 -109415.9934 298.1982 -161303.5047 -109053.4210 299.6259 170.3334 192.3903 760076.1295 -1.3639 -1.3182 PRESSURE: 1192800 -240.092 48.5758 -72.5254 48.5756 -28.8723 193.32 -72.5244 193.321 26.7661 GPRESSURE: 1192800 -196.284 66.5451 -96.163 -108.122 -78.2904 113.884 -154.595 174.49 98.349 PRESSAVG: 1192800 -25.0516 16.5185 -23.5721 16.5185 11.1143 -12.7242 -23.572 -12.7242 -15.0891 GPRESSAVG: 1192800 -24.8777 17.8035 -24.9705 17.0551 11.6343 -11.8937 -26.1794 -10.5438 -16.0758 TIMING: 1192800 CPU: 3778.14, 0.00318993/step Wall: 3778.14, 0.00318993/step, 3.37353 hours remaining, 236.832031 MB of memory in use. ENERGY: 1192800 4002.4215 20588.5236 14482.8725 244.3420 -203488.0498 2572.9485 0.0000 0.0000 52134.7016 -109462.2401 299.6188 -161596.9417 -109102.4867 299.0503 -80.7326 -58.7417 761134.2448 -9.6755 -9.7731 PRESSURE: 1193000 121.321 -153.835 37.9566 -153.836 128.441 96.6079 37.9572 96.6083 -152.692 GPRESSURE: 1193000 185.072 -42.0165 74.9694 -239.753 195.211 54.6113 70.1342 37.1797 -195.599 PRESSAVG: 1193000 22.8415 -58.2823 -48.4471 -58.2824 -15.6645 -7.82261 -48.4471 -7.82264 13.8536 GPRESSAVG: 1193000 22.93 -58.5967 -45.9912 -59.2881 -16.3649 -10.9105 -49.5608 -9.70285 14.0279 TIMING: 1193000 CPU: 3778.78, 0.00319893/step Wall: 3778.78, 0.00319893/step, 3.38287 hours remaining, 236.832031 MB of memory in use. ENERGY: 1193000 4003.0667 20685.7825 14415.0912 254.2305 -203725.3039 2914.3407 0.0000 0.0000 52050.1551 -109402.6373 299.1330 -161452.7924 -109036.3649 299.4910 32.3570 61.5612 761234.3443 7.0102 6.8643 PRESSURE: 1193200 137.386 -17.9835 -196.944 -17.9829 63.8286 -27.6102 -196.943 -27.6092 140.647 GPRESSURE: 1193200 170.251 -107.506 -158.297 116.752 108.634 6.98532 -163.207 80.8757 144.532 PRESSAVG: 1193200 -11.8773 -41.9742 -62.4608 -41.9742 -25.3428 -0.646286 -62.4607 -0.646354 -6.91517 GPRESSAVG: 1193200 -11.4309 -41.6717 -64.6006 -41.5244 -25.9817 1.60527 -58.0771 -0.276421 -6.77586 TIMING: 1193200 CPU: 3779.42, 0.00317472/step Wall: 3779.42, 0.00317472/step, 3.35709 hours remaining, 236.832031 MB of memory in use. ENERGY: 1193200 3978.9564 20639.6973 14444.6593 261.2811 -203567.5140 2768.3229 0.0000 0.0000 52123.7641 -109350.8329 299.5560 -161474.5970 -108985.1577 299.6139 113.9539 141.1387 761220.5177 -14.7117 -14.7295 PRESSURE: 1193400 -53.6136 58.7328 -38.1326 58.7329 90.8479 144.25 -38.1325 144.251 241.272 GPRESSURE: 1193400 -90.3991 69.9105 -94.0438 2.37953 179.278 83.449 -24.8736 83.9668 272.846 PRESSAVG: 1193400 -15.504 -66.8258 -9.8122 -66.8258 9.50998 70.8358 -9.81224 70.8359 4.54334 GPRESSAVG: 1193400 -16.8794 -67.1889 -9.19353 -68.4939 10.9812 70.7643 -12.5413 70.5882 4.68209 TIMING: 1193400 CPU: 3780.05, 0.00318677/step Wall: 3780.05, 0.00318677/step, 3.36965 hours remaining, 236.832031 MB of memory in use. ENERGY: 1193400 3854.7284 20412.8685 14340.7309 258.5114 -203290.4555 2839.2163 0.0000 0.0000 52311.9067 -109272.4934 300.6372 -161584.4000 -108904.6535 299.2812 92.8355 120.5750 760032.7832 -0.4836 -0.4054 PRESSURE: 1193600 -162.675 -137.718 110.38 -137.718 -79.8932 100.424 110.379 100.424 179.149 GPRESSURE: 1193600 -93.7904 -116.53 133.077 -251.177 -65.7998 82.8857 131.873 150.533 177.918 PRESSAVG: 1193600 1.89936 15.5341 -2.40081 15.5341 14.6939 -3.02232 -2.40079 -3.0223 -0.810706 GPRESSAVG: 1193600 2.80962 16.9385 -1.19731 14.8537 13.0211 -5.64302 -2.63441 -1.99343 -0.326224 TIMING: 1193600 CPU: 3780.69, 0.00316663/step Wall: 3780.69, 0.00316663/step, 3.34819 hours remaining, 236.832031 MB of memory in use. ENERGY: 1193600 3903.5474 20558.8046 14440.9063 266.3853 -203528.2159 2586.7446 0.0000 0.0000 52343.9859 -109427.8418 300.8216 -161771.8276 -109080.0058 299.5085 -21.1397 6.1091 758644.9318 5.2609 5.1682 PRESSURE: 1193800 118.662 118.322 195.546 118.322 0.104422 102.069 195.546 102.069 -506.154 GPRESSURE: 1193800 79.3648 160.355 87.8238 202.117 57.478 34.0354 287.466 287.33 -441.311 PRESSAVG: 1193800 -21.7271 -36.9009 20.6624 -36.9009 19.267 -11.0029 20.6624 -11.0028 -14.3583 GPRESSAVG: 1193800 -22.8908 -37.4476 21.8054 -35.2234 20.9122 -11.0323 19.3748 -10.2246 -15.1021 TIMING: 1193800 CPU: 3781.32, 0.0031577/step Wall: 3781.32, 0.0031577/step, 3.33856 hours remaining, 236.832031 MB of memory in use. ENERGY: 1193800 4052.6152 20428.8508 14374.1561 252.5459 -203087.4584 2393.3829 0.0000 0.0000 52242.3938 -109343.5138 300.2378 -161585.9076 -108980.7937 299.4549 -129.1292 -101.4893 761824.4736 -5.6061 -5.6936 PRESSURE: 1194000 -61.0516 -25.5498 51.1183 -25.5499 32.5774 -191.747 51.1193 -191.746 -360.843 GPRESSURE: 1194000 -0.94639 -81.425 36.3541 -16.2151 13.3936 -75.849 -87.4521 -303.216 -299.156 PRESSAVG: 1194000 -10.4286 -13.1676 4.00129 -13.1676 39.5713 13.9806 4.00137 13.9807 10.5299 GPRESSAVG: 1194000 -9.57482 -16.0295 2.93636 -12.9225 38.8825 16.1433 4.50858 12.3774 10.4055 TIMING: 1194000 CPU: 3781.95, 0.00317734/step Wall: 3781.95, 0.00317734/step, 3.35915 hours remaining, 236.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1194000 4016.9842 20411.6725 14463.7999 254.7840 -203137.1223 2523.8711 0.0000 0.0000 52035.0902 -109430.9203 299.0464 -161466.0105 -109076.3817 299.3531 -129.7722 -95.5697 761697.5196 13.2242 13.2377 PRESSURE: 1194200 -397.605 47.7578 100.063 47.7574 -230.896 25.6294 100.063 25.6296 -284.827 GPRESSURE: 1194200 -397.712 112.913 94.3015 18.6665 -228.29 29.7903 16.3279 19.0717 -169.948 PRESSAVG: 1194200 6.85194 -41.6512 25.7637 -41.6512 -16.4073 -69.4382 25.7637 -69.4381 10.9261 GPRESSAVG: 1194200 7.19365 -39.7056 26.1904 -43.0963 -15.7689 -70.4086 25.531 -68.0133 10.3315 TIMING: 1194200 CPU: 3782.59, 0.00316044/step Wall: 3782.59, 0.00316044/step, 3.34112 hours remaining, 236.832031 MB of memory in use. ENERGY: 1194200 3945.5926 20410.7044 14422.7805 233.1803 -203301.8352 2546.9838 0.0000 0.0000 52084.8685 -109657.7251 299.3325 -161742.5936 -109291.1688 298.8645 -304.4426 -265.3170 763041.0225 0.4569 0.5854 PRESSURE: 1194400 79.2408 -190.781 278.921 -190.78 117.354 -52.1743 278.921 -52.1745 69.3827 GPRESSURE: 1194400 203.06 -185.13 353.193 -42.5131 46.5033 67.1625 167.669 -97.9718 106.82 PRESSAVG: 1194400 50.8167 -61.9793 9.76653 -61.9792 -60.7067 29.9142 9.76663 29.9141 -20.1231 GPRESSAVG: 1194400 50.5475 -62.4556 9.85623 -62.7186 -61.3792 31.7147 9.7083 28.2288 -18.6838 TIMING: 1194400 CPU: 3783.22, 0.00318218/step Wall: 3783.22, 0.00318218/step, 3.36391 hours remaining, 236.832031 MB of memory in use. ENERGY: 1194400 3911.5150 20265.5234 14423.2987 244.6652 -203251.2516 2629.8615 0.0000 0.0000 52368.2831 -109408.1047 300.9612 -161776.3878 -109035.1072 298.9280 88.6593 118.7946 760824.2519 -10.0044 -9.8385 PRESSURE: 1194600 -175.627 -10.4347 11.8705 -10.4343 -29.3439 -82.8365 11.8699 -82.836 -188.722 GPRESSURE: 1194600 -103.552 -112.635 58.1303 24.5903 -50.7857 -59.5916 69.2244 -137.421 -170.452 PRESSAVG: 1194600 -19.9496 -49.2101 -13.1947 -49.2102 -0.333945 49.0133 -13.1947 49.0134 -8.02208 GPRESSAVG: 1194600 -20.2926 -47.6967 -14.7984 -48.4332 0.865737 48.4987 -11.2793 48.6683 -8.67048 TIMING: 1194600 CPU: 3783.86, 0.00318263/step Wall: 3783.86, 0.00318263/step, 3.36422 hours remaining, 236.832031 MB of memory in use. ENERGY: 1194600 3961.3441 20199.6675 14380.8889 250.9538 -202912.9366 2581.0639 0.0000 0.0000 51751.9894 -109787.0289 297.4194 -161539.0184 -109427.8809 298.4281 -131.2309 -108.2631 763295.2394 -9.4352 -9.3658 PRESSURE: 1194800 91.9946 313.665 -88.1368 313.666 -114.391 -41.8522 -88.1363 -41.8534 -161.212 GPRESSURE: 1194800 33.1383 248.853 -83.8898 301.252 5.26455 7.22712 -304.788 46.1816 -146.014 PRESSAVG: 1194800 12.2805 -34.8918 -41.0953 -34.8918 23.8912 66.1603 -41.0953 66.1603 -1.2649 GPRESSAVG: 1194800 13.7886 -37.595 -39.0499 -32.3075 21.9419 64.8598 -43.3367 67.1672 -0.772096 TIMING: 1194800 CPU: 3784.49, 0.00316332/step Wall: 3784.49, 0.00316332/step, 3.34363 hours remaining, 236.832031 MB of memory in use. ENERGY: 1194800 3936.6081 20563.3092 14438.8758 235.2578 -203558.1277 2864.7042 0.0000 0.0000 51771.1919 -109748.1806 297.5298 -161519.3725 -109399.1328 298.3766 -61.2028 -35.8705 760709.1380 11.6356 11.6528 PRESSURE: 1195000 92.4326 -161.364 -363.545 -161.365 -240.274 19.4078 -363.545 19.4084 -10.9562 GPRESSURE: 1195000 137.881 -163.854 -403.595 -112.046 -261.68 -8.83058 -342.14 -37.3662 62.2438 PRESSAVG: 1195000 -12.3739 -26.7158 -20.8327 -26.7158 19.7093 -23.9991 -20.8326 -23.9991 -7.08569 GPRESSAVG: 1195000 -11.9293 -25.2632 -21.3547 -28.8128 20.1772 -23.9717 -20.3605 -21.6225 -7.58042 TIMING: 1195000 CPU: 3785.12, 0.0031601/step Wall: 3785.12, 0.0031601/step, 3.34005 hours remaining, 236.832031 MB of memory in use. ENERGY: 1195000 3946.3423 20483.4435 14457.9937 255.0354 -203016.3075 2470.7225 0.0000 0.0000 51820.8828 -109581.8875 297.8153 -161402.7702 -109230.3485 298.5005 -52.9325 -20.5182 761307.1447 0.0832 0.2225 PRESSURE: 1195200 14.1974 148.437 58.25 148.435 111.431 -42.8908 58.2499 -42.8916 172.017 GPRESSURE: 1195200 45.2361 167.09 47.0337 60.9069 143.138 -53.6791 41.3492 61.0207 194.692 PRESSAVG: 1195200 -29.9277 -54.578 38.2145 -54.578 -14.1267 -15.2249 38.2145 -15.2249 -2.88364 GPRESSAVG: 1195200 -31.2499 -54.8859 39.6273 -54.0171 -13.0052 -13.5499 39.2739 -19.044 -2.94972 TIMING: 1195200 CPU: 3785.76, 0.00317622/step Wall: 3785.76, 0.00317622/step, 3.35691 hours remaining, 236.832031 MB of memory in use. ENERGY: 1195200 3969.5400 20485.4209 14459.0021 224.3807 -203675.4119 2949.9127 0.0000 0.0000 51795.4732 -109791.6823 297.6693 -161587.1555 -109431.7282 298.0492 99.2153 127.6889 759933.0882 -15.6460 -15.7349 PRESSURE: 1195400 47.4585 51.1294 -16.8276 51.1294 58.3554 24.2141 -16.8276 24.2146 160.941 GPRESSURE: 1195400 39.2849 2.16267 -67.716 -28.172 50.9992 -53.4572 77.4811 -101.113 278.371 PRESSAVG: 1195400 62.965 -60.6888 -27.9104 -60.6888 -14.736 -28.3065 -27.9104 -28.3065 13.6086 GPRESSAVG: 1195400 63.4306 -59.8364 -28.5255 -62.3367 -15.6325 -28.1194 -27.8199 -26.5174 14.2012 TIMING: 1195400 CPU: 3786.39, 0.00317453/step Wall: 3786.39, 0.00317453/step, 3.35495 hours remaining, 236.832031 MB of memory in use. ENERGY: 1195400 3966.6024 20361.3170 14332.6490 244.4693 -203587.1077 2794.3199 0.0000 0.0000 51932.5567 -109955.1933 298.4571 -161887.7500 -109598.8413 298.0598 88.9183 122.8852 760511.5757 20.6125 20.6664 PRESSURE: 1195600 488.883 -147.238 29.3578 -147.238 -348.486 -161.587 29.3581 -161.588 -180.63 GPRESSURE: 1195600 436.722 -76.9727 54.0235 -84.7036 -153.706 -84.9636 59.4458 -170.517 -223.975 PRESSAVG: 1195600 8.57493 -63.3624 9.81303 -63.3624 1.20628 -40.1801 9.81305 -40.1801 -23.9796 GPRESSAVG: 1195600 8.7906 -66.1844 10.2152 -62.2511 2.1152 -41.4714 10.1331 -38.7609 -24.8267 TIMING: 1195600 CPU: 3787.03, 0.00316558/step Wall: 3787.03, 0.00316558/step, 3.34532 hours remaining, 236.832031 MB of memory in use. ENERGY: 1195600 3960.8342 20286.0364 14416.0015 243.3555 -203492.1306 2845.9155 0.0000 0.0000 51734.3134 -110005.6741 297.3178 -161739.9875 -109637.0453 298.0018 -13.4109 19.6803 760556.7657 -4.7328 -4.6403 PRESSURE: 1195800 -191.656 -17.0609 98.7659 -17.0608 -187.747 18.6491 98.7648 18.6488 -277.841 GPRESSURE: 1195800 -133.545 -116.686 67.3482 -22.8111 -178.965 135.128 126.145 -9.33413 -267.608 PRESSAVG: 1195800 30.1661 -12.5809 45.6606 -12.5809 -73.8632 -8.22057 45.6606 -8.22068 -6.11409 GPRESSAVG: 1195800 29.2291 -13.3465 44.7955 -12.6236 -73.8483 -7.92996 44.8898 -9.10981 -5.44998 TIMING: 1195800 CPU: 3787.66, 0.00316746/step Wall: 3787.66, 0.00316746/step, 3.34713 hours remaining, 236.832031 MB of memory in use. ENERGY: 1195800 4038.9412 20427.7944 14512.0770 235.3441 -202914.0683 2197.5191 0.0000 0.0000 51516.0423 -109986.3501 296.0634 -161502.3925 -109632.7673 297.6114 -219.0815 -193.3726 760319.4845 -16.6037 -16.6897 PRESSURE: 1196000 382.611 -29.921 36.0453 -29.921 76.1663 -66.1563 36.0457 -66.1559 314.603 GPRESSURE: 1196000 325.873 -50.8142 -25.3912 127.782 172.804 26.2364 181.587 7.38759 370.082 PRESSAVG: 1196000 7.38553 48.246 9.4658 48.2461 -21.1334 -27.9596 9.46584 -27.9596 4.90614 GPRESSAVG: 1196000 8.824 50.7628 8.73689 49.6185 -22.1592 -27.559 9.82659 -28.3153 4.56209 TIMING: 1196000 CPU: 3788.3, 0.00316821/step Wall: 3788.3, 0.00316821/step, 3.34774 hours remaining, 236.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1196000 3921.6588 20353.8161 14400.0777 260.9006 -204077.6666 3177.4071 0.0000 0.0000 52027.4161 -109936.3903 299.0023 -161963.8064 -109571.0223 298.1017 257.7935 289.5864 760663.8073 -2.9472 -2.9244 PRESSURE: 1196200 -19.8695 -100.099 -169.055 -100.099 328.957 -95.191 -169.054 -95.1906 -94.0806 GPRESSURE: 1196200 18.7513 -98.6404 -217.146 -29.3133 294.156 -130.335 -149.362 -33.9308 -19.847 PRESSAVG: 1196200 3.6124 1.86598 -14.8205 1.86602 13.8013 12.7971 -14.8205 12.7971 -1.45847 GPRESSAVG: 1196200 4.48868 1.80297 -13.2628 1.65018 13.0706 11.0572 -16.9286 11.9287 -1.08261 TIMING: 1196200 CPU: 3788.93, 0.00316161/step Wall: 3788.93, 0.00316161/step, 3.34059 hours remaining, 236.832031 MB of memory in use. ENERGY: 1196200 3947.0221 20200.8426 14464.9252 250.1400 -203334.0759 2518.6709 0.0000 0.0000 51991.5690 -109960.9062 298.7963 -161952.4751 -109586.8202 297.9236 71.6689 97.6866 760414.9052 5.3184 5.4922 LDB: ============= START OF LOAD BALANCING ============== 3801.38 LDB: ============== END OF LOAD BALANCING =============== 3801.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3801.38 LDB: ============= START OF LOAD BALANCING ============== 3801.7 LDB: Largest compute 7068 load 0.035960 is 18.4% of average load 0.195117 LDB: Average compute 0.004428 is 2.3% of average load 0.195117 LDB: TIME 3801.7 LOAD: AVG 0.195117 MAX 0.215324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.855 MB LDB: TIME 3801.7 LOAD: AVG 0.195117 MAX 0.215324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.059 MB LDB: TIME 3801.7 LOAD: AVG 0.195117 MAX 0.215324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.059 MB LDB: ============== END OF LOAD BALANCING =============== 3801.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3801.71 PRESSURE: 1196400 -118.323 293.296 89.5851 293.296 -162.672 160.515 89.586 160.514 344.053 GPRESSURE: 1196400 -24.8416 422.163 58.3051 200.729 -115.147 167.582 178.213 165.268 292.151 PRESSAVG: 1196400 -43.1872 28.7079 -9.9526 28.7079 38.9875 3.18778 -9.95263 3.18774 -4.70999 GPRESSAVG: 1196400 -44.2882 28.0055 -10.0977 27.1595 40.3037 3.32896 -7.19308 5.55015 -4.90809 TIMING: 1196400 CPU: 3789.58, 0.00324099/step Wall: 3789.58, 0.00324099/step, 3.42428 hours remaining, 238.886719 MB of memory in use. ENERGY: 1196400 4054.0462 20492.6174 14420.8570 263.0378 -203295.2509 2481.3874 0.0000 0.0000 51926.9812 -109656.3239 298.4251 -161583.3051 -109302.0320 297.9059 21.0193 50.7205 760074.5161 -2.9699 -2.9642 PRESSURE: 1196600 84.005 -8.69369 -10.2511 -8.69346 77.3047 -170.613 -10.2506 -170.612 -279.872 GPRESSURE: 1196600 16.8579 -142.713 11.7963 71.9665 155.088 -207.958 6.87986 -148.556 -206.31 PRESSAVG: 1196600 52.4111 -18.5177 5.41108 -18.5178 -34.9358 -19.1002 5.4111 -19.1001 20.5876 GPRESSAVG: 1196600 51.7765 -18.5394 6.12606 -16.228 -35.1459 -17.803 4.19083 -20.3991 21.6737 TIMING: 1196600 CPU: 3790.21, 0.0031675/step Wall: 3790.21, 0.0031675/step, 3.34646 hours remaining, 238.886719 MB of memory in use. ENERGY: 1196600 3971.4929 20359.5848 14454.6562 251.4529 -203239.4959 2595.4271 0.0000 0.0000 51915.0709 -109691.8111 298.3566 -161606.8820 -109321.1770 298.5236 -39.5208 -11.4546 761998.8638 12.6876 12.7681 PRESSURE: 1196800 -213.117 -196.55 -153.114 -196.55 -281.671 112.327 -153.115 112.327 -58.2803 GPRESSURE: 1196800 -195.488 -115.062 -158.134 -200.618 -193.722 156.556 -142.171 230.43 -50.3021 PRESSAVG: 1196800 -9.3946 -39.9277 27.8342 -39.9277 24.9299 -40.47 27.8342 -40.47 14.4237 GPRESSAVG: 1196800 -9.8675 -39.0074 27.8666 -39.562 26.6007 -41.5011 28.1178 -39.1181 13.4801 TIMING: 1196800 CPU: 3790.85, 0.00318108/step Wall: 3790.85, 0.00318108/step, 3.36063 hours remaining, 238.886719 MB of memory in use. ENERGY: 1196800 3964.3429 20338.4275 14467.3622 225.7278 -203311.7487 2430.4043 0.0000 0.0000 52155.9984 -109729.4856 299.7412 -161885.4840 -109363.1298 298.4853 -184.3561 -146.5042 761480.6647 9.9863 10.0711 PRESSURE: 1197000 33.9937 27.3379 193.671 27.3371 -162.875 8.63817 193.671 8.63701 -364.574 GPRESSURE: 1197000 61.2772 12.5658 141.592 -22.7288 -133.685 51.9039 146.989 -73.0917 -331.196 PRESSAVG: 1197000 3.47591 43.8217 30.0946 43.8216 -55.167 9.74498 30.0946 9.74499 -4.7024 GPRESSAVG: 1197000 5.21675 42.5769 29.1485 42.9239 -56.7975 11.5274 30.3284 6.64335 -4.79346 TIMING: 1197000 CPU: 3791.48, 0.0031722/step Wall: 3791.48, 0.0031722/step, 3.35108 hours remaining, 238.886719 MB of memory in use. ENERGY: 1197000 3961.9290 20346.5156 14413.7726 248.1367 -203229.2372 2480.5021 0.0000 0.0000 52055.9173 -109722.4639 299.1661 -161778.3812 -109351.5459 298.5287 -164.4853 -134.5345 762866.5532 -18.7978 -18.7914 PRESSURE: 1197200 -373.405 -72.2705 230.816 -72.2703 -50.3355 -39.4674 230.816 -39.4678 -321.144 GPRESSURE: 1197200 -297.124 -94.7004 152.894 -12.6236 29.0094 -40.017 265.868 -119.628 -389.614 PRESSAVG: 1197200 37.999 5.22646 46.6601 5.22648 -10.4468 1.00597 46.66 1.00596 10.9886 GPRESSAVG: 1197200 37.657 7.07188 47.2587 5.30741 -9.21083 1.71032 46.1526 2.25308 10.0743 TIMING: 1197200 CPU: 3792.12, 0.00317955/step Wall: 3792.12, 0.00317955/step, 3.35867 hours remaining, 238.886719 MB of memory in use. ENERGY: 1197200 3965.1225 20402.9146 14522.2640 246.8180 -203281.4768 2583.6716 0.0000 0.0000 51718.2209 -109842.4652 297.2253 -161560.6861 -109491.6742 298.0511 -248.2945 -219.2427 761660.9211 12.8469 12.8402 PRESSURE: 1197400 -139.569 -206.385 57.6487 -206.384 -8.64374 -72.2799 57.6488 -72.2813 -239.953 GPRESSURE: 1197400 -115.357 -217 92.1143 -131.742 -15.7365 -67.2918 12.2276 -91.1869 -181.207 PRESSAVG: 1197400 -88.2238 1.29239 -9.41971 1.29234 76.83 -36.8658 -9.41973 -36.8659 0.756322 GPRESSAVG: 1197400 -88.5262 0.0953908 -9.13869 0.480706 75.0983 -38.0462 -9.29019 -37.4675 2.34072 TIMING: 1197400 CPU: 3792.75, 0.00317821/step Wall: 3792.75, 0.00317821/step, 3.35707 hours remaining, 238.886719 MB of memory in use. ENERGY: 1197400 4028.6198 20533.0611 14483.4135 230.5706 -203705.5708 2839.3801 0.0000 0.0000 51921.2633 -109669.2624 298.3922 -161590.5257 -109324.4041 298.3082 -129.3885 -104.1002 762008.6649 -3.5458 -3.6957 PRESSURE: 1197600 -193.883 -20.0242 -242.525 -20.024 108.462 18.8209 -242.526 18.8206 310.039 GPRESSURE: 1197600 -147.394 -63.8286 -140.091 -91.727 131.203 85.4184 -174.358 52.8037 295.174 PRESSAVG: 1197600 -18.96 8.25886 -57.7327 8.2589 -9.538 -52.9025 -57.7326 -52.9025 -2.62781 GPRESSAVG: 1197600 -17.9443 8.44981 -57.3346 8.16982 -9.40988 -54.1244 -57.3225 -50.7253 -3.87401 TIMING: 1197600 CPU: 3793.39, 0.00317281/step Wall: 3793.39, 0.00317281/step, 3.35119 hours remaining, 238.886719 MB of memory in use. ENERGY: 1197600 3944.7781 20350.2751 14435.1798 252.5230 -203512.4815 2802.2592 0.0000 0.0000 51958.8859 -109768.5804 298.6084 -161727.4663 -109396.3241 298.3625 74.8728 92.9945 762193.9421 -10.3753 -10.4094 PRESSURE: 1197800 105.99 -58.3087 -9.0131 -58.3088 283.126 -41.4533 -9.01361 -41.4537 310.006 GPRESSURE: 1197800 153.045 -60.8264 40.0109 75.7219 302.432 -89.7614 -28.1928 -68.3929 305.535 PRESSAVG: 1197800 53.0437 3.78773 33.239 3.78781 -39.4847 -59.5396 33.239 -59.5395 2.34975 GPRESSAVG: 1197800 51.6593 5.95376 33.2368 1.87585 -38.5134 -57.8118 32.8692 -61.3146 3.11382 TIMING: 1197800 CPU: 3794.02, 0.00317717/step Wall: 3794.02, 0.00317717/step, 3.35562 hours remaining, 238.886719 MB of memory in use. ENERGY: 1197800 3954.3534 20456.5685 14526.7213 254.7927 -203666.1297 3060.3987 0.0000 0.0000 51998.6994 -109414.5958 298.8372 -161413.2952 -109061.7657 298.6587 233.0407 253.6706 760051.7908 5.3029 5.4199 PRESSURE: 1198000 -129.911 -57.4163 -36.0467 -57.4174 64.418 -56.3763 -36.0482 -56.3757 -51.1344 GPRESSURE: 1198000 -79.9125 62.0671 70.6934 -126.29 67.1353 -19.3579 -78.0493 0.813918 -12.4131 PRESSAVG: 1198000 69.9857 35.5603 36.1623 35.5603 -16.6895 -43.9683 36.1623 -43.9683 1.18778 GPRESSAVG: 1198000 70.7599 34.3794 35.4604 38.2416 -18.0972 -44.2601 35.3497 -43.3789 2.0142 TIMING: 1198000 CPU: 3794.65, 0.00316449/step Wall: 3794.65, 0.00316449/step, 3.34206 hours remaining, 238.886719 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: 1198000 3883.7392 20556.7566 14450.7842 239.9268 -203257.9060 2702.5006 0.0000 0.0000 52079.8195 -109344.3792 299.3034 -161424.1987 -108981.1160 299.4527 -38.8757 -8.3968 763297.9174 18.1614 18.2256 PRESSURE: 1198200 80.4057 52.0158 22.4353 52.0149 -211.825 -168.217 22.4349 -168.218 -186.278 GPRESSURE: 1198200 44.442 73.6526 -26.2511 -28.7385 -119.721 -108.449 1.19842 -211.704 -154.116 PRESSAVG: 1198200 11.4866 10.222 33.8723 10.2221 25.0498 -14.4197 33.8723 -14.4198 -4.58385 GPRESSAVG: 1198200 11.173 12.1273 32.514 9.62892 25.9069 -14.6075 33.8467 -12.5962 -5.12427 TIMING: 1198200 CPU: 3795.29, 0.00316989/step Wall: 3795.29, 0.00316989/step, 3.34758 hours remaining, 238.886719 MB of memory in use. ENERGY: 1198200 3937.7534 20430.3923 14539.5250 245.8350 -203151.6450 2787.2463 0.0000 0.0000 51874.0352 -109336.8577 298.1208 -161210.8929 -108971.0339 299.4454 -105.8994 -76.4650 761632.6156 10.6509 10.6519 PRESSURE: 1198400 -365.21 -73.8376 -51.7717 -73.8379 -249.881 58.3487 -51.7721 58.3496 91.5297 GPRESSURE: 1198400 -310.667 -115.386 -21.965 -125.9 -201.709 -13.1627 -42.912 -49.386 63.5709 PRESSAVG: 1198400 -14.6444 58.9229 34.7721 58.9228 78.1829 5.01444 34.7721 5.01453 4.32032 GPRESSAVG: 1198400 -14.0903 58.0393 37.0811 58.0802 79.3141 5.97131 33.513 1.92276 3.35675 TIMING: 1198400 CPU: 3795.92, 0.00318104/step Wall: 3795.92, 0.00318104/step, 3.35918 hours remaining, 238.886719 MB of memory in use. ENERGY: 1198400 3896.5519 20408.1062 14527.4282 240.3037 -202601.8517 2245.0915 0.0000 0.0000 52071.6079 -109212.7622 299.2562 -161284.3702 -108870.1573 298.8729 -174.5203 -149.6016 760613.8632 22.6196 22.8602 PRESSURE: 1198600 -107.327 15.7651 59.5188 15.7657 -492.829 -179.911 59.5187 -179.911 -272.169 GPRESSURE: 1198600 -53.2009 54.596 79.1107 -57.6415 -426.249 -163.235 -82.1224 -118.981 -307.611 PRESSAVG: 1198600 13.1631 -13.7236 41.2641 -13.7237 -56.8067 -44.1619 41.2641 -44.1619 -29.9493 GPRESSAVG: 1198600 12.2058 -14.0256 40.955 -14.8927 -56.5443 -44.2407 41.687 -43.1492 -28.8192 TIMING: 1198600 CPU: 3796.56, 0.00317783/step Wall: 3796.56, 0.00317783/step, 3.35562 hours remaining, 238.886719 MB of memory in use. ENERGY: 1198600 3986.7655 20532.8484 14467.2525 237.9524 -202815.3418 2354.6819 0.0000 0.0000 52028.0621 -109207.7790 299.0060 -161235.8410 -108852.4207 299.2212 -290.7750 -262.3537 761428.7059 -24.5310 -24.3859 PRESSURE: 1198800 -24.6028 65.5028 -119.004 65.5035 -188.897 -110.27 -119.004 -110.271 -486.541 GPRESSURE: 1198800 -93.8735 129.203 -43.441 31.8863 -137.367 -67.4197 -82.7846 -142.847 -398.479 PRESSAVG: 1198800 73.7464 -32.938 30.6825 -32.9379 19.2016 6.89195 30.6827 6.89195 -0.889785 GPRESSAVG: 1198800 75.6627 -31.7924 31.3009 -33.9662 18.2504 7.32609 32.2854 6.83508 -1.84404 TIMING: 1198800 CPU: 3797.2, 0.0031859/step Wall: 3797.2, 0.0031859/step, 3.36396 hours remaining, 238.886719 MB of memory in use. ENERGY: 1198800 4000.4574 20530.7442 14503.1455 248.0580 -202921.6709 2545.7485 0.0000 0.0000 52125.6661 -108967.8513 299.5669 -161093.5174 -108610.7106 299.7768 -233.3470 -209.9065 762201.5876 30.6861 30.6897 PRESSURE: 1199000 -206.51 -100.065 -67.1933 -100.065 -183.52 36.7084 -67.1936 36.7086 -574.262 GPRESSURE: 1199000 -209.025 -175.252 -104.841 -130.976 -68.9767 120.392 -1.53511 -6.93265 -599.075 PRESSAVG: 1199000 67.7411 -51.0092 -17.627 -51.0092 -60.9178 48.8629 -17.627 48.8629 -6.56707 GPRESSAVG: 1199000 67.3282 -51.0243 -16.9201 -50.5489 -60.5392 49.609 -17.8105 47.5264 -6.85307 TIMING: 1199000 CPU: 3797.83, 0.00317802/step Wall: 3797.83, 0.00317802/step, 3.35546 hours remaining, 238.886719 MB of memory in use. ENERGY: 1199000 4069.4136 20578.8403 14522.8161 267.1004 -202820.0619 2443.8983 0.0000 0.0000 52110.5219 -108827.4714 299.4799 -160937.9932 -108463.7673 299.6346 -321.4303 -292.3589 762772.8339 0.0854 -0.0213 PRESSURE: 1199200 -257.158 -127.433 -296.89 -127.434 -183.389 264.299 -296.889 264.299 -228.425 GPRESSURE: 1199200 -256.124 -43.3388 -312.033 -67.9436 -142.083 205.537 -304.072 204.89 -195.681 PRESSAVG: 1199200 42.1909 -45.9148 -40.4993 -45.9148 -31.5501 -4.77421 -40.4993 -4.77413 -12.5553 GPRESSAVG: 1199200 42.359 -45.6397 -42.6735 -44.5304 -32.4123 -5.37246 -40.1414 -4.24187 -12.6274 TIMING: 1199200 CPU: 3798.47, 0.00319509/step Wall: 3798.47, 0.00319509/step, 3.3733 hours remaining, 238.886719 MB of memory in use. ENERGY: 1199200 4011.4609 20592.3113 14443.2593 254.0056 -203293.2720 2749.5445 0.0000 0.0000 52359.9249 -108882.7655 300.9132 -161242.6903 -108519.0726 299.8838 -222.9910 -197.9625 761929.2860 -0.6381 -0.8936 PRESSURE: 1199400 65.8855 -34.0293 46.1279 -34.0296 -179.022 -200.774 46.1285 -200.774 119.272 GPRESSURE: 1199400 10.1874 43.7672 86.0701 -81.6913 -106.235 -257.184 3.78003 -57.1508 203.542 PRESSAVG: 1199400 27.2177 -29.9275 1.03527 -29.9275 -25.5151 -24.2161 1.03528 -24.2161 31.8798 GPRESSAVG: 1199400 26.7861 -29.6894 1.07721 -30.9267 -24.9389 -24.7843 0.197014 -25.4851 32.1927 TIMING: 1199400 CPU: 3799.11, 0.00321193/step Wall: 3799.11, 0.00321193/step, 3.39091 hours remaining, 238.886719 MB of memory in use. ENERGY: 1199400 3986.3810 20421.1715 14550.1624 231.3972 -202962.2604 2612.1934 0.0000 0.0000 52217.5750 -108943.3798 300.0951 -161160.9549 -108580.8665 300.0343 2.0450 35.8315 762416.6280 11.1942 11.3467 PRESSURE: 1199600 -137.698 76.8168 -71.253 76.8157 -214.948 -146.348 -71.2539 -146.348 41.8539 GPRESSURE: 1199600 -97.9395 113.798 -90.4024 26.8504 -140.524 -68.3872 -110.471 -24.6462 28.689 PRESSAVG: 1199600 2.99415 -13.9252 53.5187 -13.9251 -35.6768 -9.52969 53.5187 -9.52962 -16.3043 GPRESSAVG: 1199600 3.67206 -15.2334 56.0531 -11.9312 -35.6787 -8.20283 51.0809 -6.84078 -16.7952 TIMING: 1199600 CPU: 3799.75, 0.00317762/step Wall: 3799.75, 0.00317762/step, 3.35451 hours remaining, 238.886719 MB of memory in use. ENERGY: 1199600 4024.2151 20442.1339 14484.1547 254.7967 -202597.1008 2184.7321 0.0000 0.0000 52079.0962 -109127.9722 299.2993 -161207.0684 -108766.5774 299.4495 -103.5972 -69.9250 761778.4942 -16.3290 -16.2673 PRESSURE: 1199800 -269.796 119.186 -17.0111 119.187 -140.478 -8.69815 -17.0108 -8.69786 -43.7854 GPRESSURE: 1199800 -212.016 208.062 4.35996 -56.5253 -182.285 -83.622 -58.9326 -66.3008 13.707 PRESSAVG: 1199800 -1.6782 -33.2214 35.0344 -33.2213 16.2001 -84.9924 35.0344 -84.9923 24.6185 GPRESSAVG: 1199800 -1.40361 -33.3702 33.1895 -35.9128 15.7398 -87.6716 38.5401 -84.191 25.0535 TIMING: 1199800 CPU: 3800.39, 0.00319141/step Wall: 3800.39, 0.00319141/step, 3.36889 hours remaining, 238.886719 MB of memory in use. ENERGY: 1199800 4026.2213 20366.0752 14460.4247 252.5836 -202732.4424 2546.1832 0.0000 0.0000 52066.3926 -109014.5618 299.2263 -161080.9545 -108645.8999 299.4637 -151.3533 -126.8646 762588.0684 13.0468 13.1299 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1200000 -22.8608 106.245 102.495 106.245 -160.897 30.5935 102.495 30.5934 224.123 GPRESSURE: 1200000 -42.1963 39.1957 49.7055 128.348 -58.4755 -77.818 190.482 83.644 185.308 PRESSAVG: 1200000 28.0043 21.5831 -20.6147 21.583 33.5185 -38.4793 -20.6148 -38.4793 -15.6142 GPRESSAVG: 1200000 27.5893 22.2836 -21.422 22.9906 34.7414 -38.2551 -19.7194 -39.4469 -16.3303 TIMING: 1200000 CPU: 3801.81, 0.00709484/step Wall: 3801.81, 0.00709484/step, 7.489 hours remaining, 238.886719 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: 1200000 4030.6609 20374.4240 14449.3616 241.1625 -203101.1808 2709.1780 0.0000 0.0000 52144.9789 -109151.4150 299.6779 -161296.3939 -108785.1683 299.3978 13.4550 28.2119 763271.1612 15.3029 15.3334 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 241.193 -66.4757 -48.1009 -66.475 62.4249 -99.1952 -48.1016 -99.1949 15.5032 GPRESSURE: 1200200 176.026 -92.0318 0.4825 -108.846 150.845 -109.466 24.8952 -127.677 63.8061 PRESSAVG: 1200200 89.7863 -0.197085 -39.0885 -0.197129 -71.8614 18.0161 -39.0885 18.0161 0.239232 GPRESSAVG: 1200200 90.2251 -0.158218 -39.2689 -0.872414 -72.5007 19.4721 -39.6948 15.7133 0.627629 TIMING: 1200200 CPU: 3804.34, 0.0126707/step Wall: 3804.34, 0.0126707/step, 13.3739 hours remaining, 238.886719 MB of memory in use. ENERGY: 1200200 4012.9138 20403.7591 14442.8154 245.0316 -203009.3074 2422.4674 0.0000 0.0000 52470.5540 -109011.7661 301.5490 -161482.3201 -108641.4973 299.4887 106.3738 130.2259 762385.3585 6.0547 6.1174 LDB: ============= START OF LOAD BALANCING ============== 3816.79 LDB: ============== END OF LOAD BALANCING =============== 3816.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3816.79 LDB: ============= START OF LOAD BALANCING ============== 3817.11 LDB: Largest compute 7068 load 0.036622 is 18.8% of average load 0.195135 LDB: Average compute 0.004418 is 2.3% of average load 0.195135 LDB: TIME 3817.12 LOAD: AVG 0.195135 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.32 MB LDB: TIME 3817.12 LOAD: AVG 0.195135 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.32 MB LDB: TIME 3817.12 LOAD: AVG 0.195135 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.32 MB LDB: ============== END OF LOAD BALANCING =============== 3817.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3817.12 PRESSURE: 1200400 -163.491 -61.6033 -73.8673 -61.6029 -39.9947 -49.7085 -73.8675 -49.7087 -288.758 GPRESSURE: 1200400 -120.852 1.70878 -44.5583 -90.9365 -21.1119 -33.419 27.1211 -40.0426 -280.417 PRESSAVG: 1200400 -14.204 -39.3227 -36.4266 -39.3227 37.9195 -25.2113 -36.4267 -25.2112 -1.86121 GPRESSAVG: 1200400 -13.1146 -39.7175 -37.0939 -38.7519 37.5361 -24.5493 -34.9012 -24.1427 -1.91828 TIMING: 1200400 CPU: 3804.99, 0.00323358/step Wall: 3804.99, 0.00323358/step, 3.41286 hours remaining, 237.343750 MB of memory in use. ENERGY: 1200400 3924.0158 20341.8187 14519.0505 234.7072 -202559.8915 2184.6624 0.0000 0.0000 52111.4125 -109244.2245 299.4850 -161355.6370 -108874.0812 299.7303 -164.0812 -140.7938 761747.3006 7.2848 7.5011 PRESSURE: 1200600 -134.665 32.8567 -16.4776 32.8575 -204.159 143.224 -16.4775 143.224 44.5515 GPRESSURE: 1200600 -106.945 -12.6607 -36.8756 33.2909 -194.773 117.574 -32.9663 -1.04277 79.8092 PRESSAVG: 1200600 18.6509 -68.9158 3.63657 -68.9158 49.9469 32.1955 3.63657 32.1955 -3.29245 GPRESSAVG: 1200600 17.2539 -68.4529 4.86803 -69.0837 50.6749 31.6815 2.56381 33.2108 -3.12942 TIMING: 1200600 CPU: 3805.62, 0.00317387/step Wall: 3805.62, 0.00317387/step, 3.34967 hours remaining, 237.546875 MB of memory in use. ENERGY: 1200600 3992.9123 20501.2951 14513.0612 260.7747 -202947.3249 2656.0168 0.0000 0.0000 51771.8186 -109251.4463 297.5334 -161023.2648 -108891.8996 298.8966 -98.0907 -73.9696 761592.6867 21.7684 21.5998 PRESSURE: 1200800 292.907 26.9635 157.678 26.9635 250.429 98.4607 157.679 98.4608 136.48 GPRESSURE: 1200800 299.673 38.1888 143.712 -93.7509 294.422 66.452 115.536 147.686 162.658 PRESSAVG: 1200800 -7.0493 -54.4445 12.5672 -54.4446 9.20502 1.05346 12.5672 1.05352 11.8383 GPRESSAVG: 1200800 -6.4771 -56.4913 11.5891 -54.822 7.30677 2.12312 11.4261 0.473522 13.0523 TIMING: 1200800 CPU: 3806.26, 0.00318764/step Wall: 3806.26, 0.00318764/step, 3.36403 hours remaining, 237.546875 MB of memory in use. ENERGY: 1200800 3892.5399 20560.1953 14453.0983 236.4822 -203282.4813 2869.0529 0.0000 0.0000 51965.5644 -109305.5485 298.6468 -161271.1129 -108947.8185 299.1865 226.6056 252.2513 761259.0983 4.6647 4.6273 PRESSURE: 1201000 45.3832 21.0252 -81.2396 21.0248 17.5124 6.47602 -81.24 6.47557 84.5466 GPRESSURE: 1201000 121.101 31.4955 -65.3229 -15.546 47.7628 -12.0247 111.833 21.0506 76.8588 PRESSAVG: 1201000 10.2061 -61.9675 10.0428 -61.9675 1.99336 45.4127 10.0428 45.4128 9.71183 GPRESSAVG: 1201000 10.6652 -59.4213 10.3807 -62.7788 3.13506 46.7336 9.70749 43.833 8.51781 TIMING: 1201000 CPU: 3806.89, 0.00316987/step Wall: 3806.89, 0.00316987/step, 3.3451 hours remaining, 237.546875 MB of memory in use. ENERGY: 1201000 4014.7333 20304.7575 14531.3182 257.0784 -202917.4569 2501.3818 0.0000 0.0000 52175.8828 -109132.3048 299.8555 -161308.1876 -108772.6589 299.3730 49.1474 81.9075 762982.9845 7.3038 7.4393 PRESSURE: 1201200 -51.2334 48.0797 -148.625 48.079 -69.6117 -66.5111 -148.625 -66.5107 -66.6888 GPRESSURE: 1201200 3.4297 40.8176 -149.078 96.8929 -66.9448 -65.7286 -150.111 25.6845 -34.186 PRESSAVG: 1201200 8.2532 -52.4455 22.3514 -52.4454 -17.6464 -10.821 22.3513 -10.8209 -1.11484 GPRESSAVG: 1201200 7.48546 -54.0126 22.452 -50.9425 -17.4402 -13.2775 26.4447 -8.45558 -0.221714 TIMING: 1201200 CPU: 3807.53, 0.00315802/step Wall: 3807.53, 0.00315802/step, 3.33241 hours remaining, 237.546875 MB of memory in use. ENERGY: 1201200 3987.1413 20237.0163 14446.6151 268.4190 -202808.2085 2673.8275 0.0000 0.0000 52215.4712 -108979.7181 300.0830 -161195.1893 -108603.8353 299.3491 -62.5113 -32.5670 763948.7664 -3.5027 -3.3922 PRESSURE: 1201400 149.48 -285.867 -113.116 -285.866 -19.6072 149.595 -113.116 149.595 92.195 GPRESSURE: 1201400 117.445 -331.934 -108.289 -261.405 53.6408 96.53 -159.657 -6.43445 136.222 PRESSAVG: 1201400 -8.7487 -24.6451 40.3956 -24.6451 36.9018 -1.20147 40.3957 -1.20144 0.114069 GPRESSAVG: 1201400 -7.85606 -23.1077 40.0204 -24.5987 35.8813 0.143195 36.9333 -2.54786 -0.398404 TIMING: 1201400 CPU: 3808.16, 0.00316061/step Wall: 3808.16, 0.00316061/step, 3.33497 hours remaining, 237.546875 MB of memory in use. ENERGY: 1201400 3970.5920 20695.7657 14401.4915 234.1317 -202832.3070 2430.5975 0.0000 0.0000 51986.1078 -109113.6208 298.7649 -161099.7286 -108757.3174 299.4090 74.0224 102.4358 763838.3861 9.4224 9.2089 PRESSURE: 1201600 -104.656 -87.8956 110.888 -87.8949 -283.874 -188.347 110.89 -188.347 -143.659 GPRESSURE: 1201600 -79.6087 -47.9682 264.768 -156.864 -232.672 -156.946 123.136 -193.092 -118.586 PRESSAVG: 1201600 9.03982 -30.1488 2.75219 -30.1488 -8.38047 12.0744 2.75219 12.0743 35.7935 GPRESSAVG: 1201600 8.47095 -28.8555 5.94907 -31.7114 -8.68654 11.525 0.695821 12.6241 36.6249 TIMING: 1201600 CPU: 3808.79, 0.00317338/step Wall: 3808.79, 0.00317338/step, 3.34827 hours remaining, 237.546875 MB of memory in use. ENERGY: 1201600 3930.5949 20678.9142 14520.5055 238.5857 -203150.7726 2451.3260 0.0000 0.0000 51954.4093 -109376.4370 298.5827 -161330.8463 -109016.8237 299.4887 -177.3961 -143.6222 761735.0478 12.1510 12.1365 PRESSURE: 1201800 107.81 -180.672 -211.927 -180.671 -48.9517 -131.86 -211.928 -131.86 66.5438 GPRESSURE: 1201800 105.421 -95.4246 -222.04 -51.1844 33.2238 -115.896 -125.997 -162.044 78.1684 PRESSAVG: 1201800 15.7838 -36.4786 3.15787 -36.4786 -9.81589 -14.7854 3.15783 -14.7854 20.7616 GPRESSAVG: 1201800 16.2798 -38.9298 0.389779 -35.0424 -9.42581 -16.5074 8.35214 -13.5391 19.847 TIMING: 1201800 CPU: 3809.43, 0.00316363/step Wall: 3809.43, 0.00316363/step, 3.33781 hours remaining, 237.546875 MB of memory in use. ENERGY: 1201800 3988.0760 20479.1186 14438.2297 253.8130 -203013.3559 2662.0364 0.0000 0.0000 52104.3755 -109087.7067 299.4446 -161192.0822 -108723.2784 299.3807 41.8007 72.2712 764414.0586 8.9099 8.9003 PRESSURE: 1202000 31.125 8.79735 -133.604 8.79838 105.311 -97.7823 -133.603 -97.7834 -430.84 GPRESSURE: 1202000 63.5431 63.2505 -114.012 -31.3534 116.239 -53.7516 -219.489 -118.585 -392.626 PRESSAVG: 1202000 -17.2215 8.70216 -73.4942 8.70216 18.534 -59.9199 -73.4942 -59.9199 -5.69843 GPRESSAVG: 1202000 -18.1404 9.54999 -74.2813 7.11648 19.3798 -56.9444 -75.0815 -61.6348 -6.12945 TIMING: 1202000 CPU: 3810.06, 0.00318002/step Wall: 3810.06, 0.00318002/step, 3.35492 hours remaining, 237.546875 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: 1202000 4077.8304 20577.2183 14481.4815 250.6523 -202855.0150 2496.8991 0.0000 0.0000 52096.7528 -108874.1806 299.4008 -160970.9335 -108514.9463 299.6948 -98.1347 -70.9480 763595.2059 -1.4620 -1.6300 PRESSURE: 1202200 -223.782 -84.2684 210.333 -84.2686 -38.0874 -245.253 210.334 -245.253 -151.94 GPRESSURE: 1202200 -106.903 127.924 138.033 -77.4346 -20.124 -175.395 241.675 -229.242 -191.965 PRESSAVG: 1202200 -32.3994 -23.7102 25.3608 -23.7103 8.42541 49.5361 25.3608 49.5361 -45.8715 GPRESSAVG: 1202200 -30.8043 -23.2637 25.5835 -23.7918 7.40116 47.4916 24.3862 51.7492 -45.4555 TIMING: 1202200 CPU: 3810.69, 0.00316872/step Wall: 3810.69, 0.00316872/step, 3.34282 hours remaining, 237.546875 MB of memory in use. ENERGY: 1202200 3984.5732 20634.9501 14500.3735 240.0133 -203027.5754 2645.3142 0.0000 0.0000 52131.0324 -108891.3186 299.5978 -161022.3510 -108533.3990 299.6868 -137.9364 -106.3308 764397.5729 -23.2819 -22.9529 PRESSURE: 1202400 -388.755 79.0223 -57.6288 79.0229 -546.922 172.425 -57.6287 172.425 -214.793 GPRESSURE: 1202400 -444.396 51.5239 -122.03 169.33 -443.364 199.674 63.3679 84.4306 -185.015 PRESSAVG: 1202400 -24.0789 10.6256 24.8003 10.6256 73.1483 -12.2626 24.8002 -12.2626 -19.7509 GPRESSAVG: 1202400 -24.1071 11.8912 25.7537 11.4831 73.2324 -10.1878 24.9913 -15.0468 -19.364 TIMING: 1202400 CPU: 3811.33, 0.00317186/step Wall: 3811.33, 0.00317186/step, 3.34596 hours remaining, 237.546875 MB of memory in use. ENERGY: 1202400 4041.5443 20561.1725 14492.3817 252.1646 -202572.2702 2351.6573 0.0000 0.0000 52097.8006 -108775.5491 299.4068 -160873.3497 -108424.6634 300.4217 -383.4897 -357.5919 763659.9897 9.7728 9.9204 PRESSURE: 1202600 -99.0501 -153.298 -86.4948 -153.297 238.226 27.8062 -86.4938 27.8061 90.9624 GPRESSURE: 1202600 -54.5124 -234.685 25.7775 -108.014 248.246 47.8455 -160.483 107.305 99.308 PRESSAVG: 1202600 -23.1929 -1.8484 14.5663 -1.84838 17.4475 -36.0485 14.5664 -36.0485 -7.51744 GPRESSAVG: 1202600 -24.1358 -3.87197 12.6963 -2.87215 17.8038 -37.539 15.3654 -36.0618 -6.65778 TIMING: 1202600 CPU: 3811.97, 0.00318442/step Wall: 3811.97, 0.00318442/step, 3.35903 hours remaining, 237.546875 MB of memory in use. ENERGY: 1202600 3883.1869 20627.4316 14556.6414 233.8907 -203239.8463 2679.0868 0.0000 0.0000 52211.3926 -109048.2162 300.0596 -161259.6089 -108683.2897 300.5113 76.7126 97.6806 762465.3419 -4.4209 -4.3299 PRESSURE: 1202800 249.67 -51.0758 -78.6412 -51.077 -409.075 223.502 -78.6414 223.503 -51.31 GPRESSURE: 1202800 182.362 -76.6889 -63.2505 25.5158 -289.319 167.955 -89.1379 171.13 -33.4544 PRESSAVG: 1202800 -51.5707 -2.63918 -24.4394 -2.63922 27.9387 -4.75026 -24.4394 -4.75026 -5.13419 GPRESSAVG: 1202800 -51.283 -2.69893 -23.4264 -1.16714 27.5228 -2.40325 -24.851 -4.23439 -5.33412 TIMING: 1202800 CPU: 3812.6, 0.00316449/step Wall: 3812.6, 0.00316449/step, 3.33784 hours remaining, 237.546875 MB of memory in use. ENERGY: 1202800 4015.1271 20634.1367 14453.1818 234.4196 -203141.3033 2650.9647 0.0000 0.0000 52070.6203 -109082.8531 299.2506 -161153.4734 -108718.1340 300.0955 -70.2383 -46.8039 761306.6078 -9.5887 -9.6981 PRESSURE: 1203000 52.3586 69.5532 -68.2312 69.5531 261.448 -200.02 -68.2309 -200.02 -392.79 GPRESSURE: 1203000 81.6388 135.13 32.6688 144.357 283.862 -200.619 -69.5005 -294.133 -360.082 PRESSAVG: 1203000 -23.1764 -25.9792 17.8224 -25.9793 12.339 26.3104 17.8223 26.3104 -0.0714371 GPRESSAVG: 1203000 -23.7983 -25.5264 18.849 -25.088 12.9034 23.3608 17.2083 25.9771 -0.676518 TIMING: 1203000 CPU: 3813.24, 0.00318675/step Wall: 3813.24, 0.00318675/step, 3.36114 hours remaining, 237.546875 MB of memory in use. ENERGY: 1203000 3987.9176 20460.9284 14491.9953 234.7050 -203283.6325 2905.7152 0.0000 0.0000 52004.3390 -109198.0320 298.8697 -161202.3710 -108827.8671 299.8765 -26.3279 1.8064 762191.5608 -3.6363 -3.8571 PRESSURE: 1203200 -304.407 178.643 10.3848 178.644 -109.797 111.137 10.3841 111.136 -76.0161 GPRESSURE: 1203200 -200.163 134.649 62.2238 95.0534 -157.044 134.293 52.2162 155.016 -48.2572 PRESSAVG: 1203200 -81.0692 5.46117 32.1328 5.46119 21.1243 -16.6451 32.1327 -16.645 -12.3515 GPRESSAVG: 1203200 -80.3709 5.45923 32.491 4.13562 20.0243 -15.4097 32.704 -16.0371 -11.9611 TIMING: 1203200 CPU: 3813.87, 0.00316905/step Wall: 3813.87, 0.00316905/step, 3.34229 hours remaining, 237.546875 MB of memory in use. ENERGY: 1203200 4029.4686 20470.4315 14478.9716 237.0538 -203680.4215 2791.6377 0.0000 0.0000 52214.3875 -109458.4710 300.0768 -161672.8585 -109094.4026 298.9333 -163.4068 -135.1545 761648.8745 -24.0988 -24.1026 PRESSURE: 1203400 -340.429 81.0854 -228.727 81.0854 132.511 192.984 -228.727 192.984 -161.977 GPRESSURE: 1203400 -216.794 66.6017 -179.177 166.258 72.8194 137.194 -272.603 235.187 -154.487 PRESSAVG: 1203400 -24.7889 40.2824 3.09971 40.2824 14.0254 31.595 3.09976 31.595 9.84285 GPRESSAVG: 1203400 -25.4797 41.1423 3.29762 39.3564 13.8786 30.8736 2.19286 29.8973 10.6083 TIMING: 1203400 CPU: 3814.5, 0.00317173/step Wall: 3814.5, 0.00317173/step, 3.34494 hours remaining, 237.546875 MB of memory in use. ENERGY: 1203400 3963.5733 20541.8789 14446.5692 245.6935 -203320.5131 2685.1643 0.0000 0.0000 52069.5910 -109368.0431 299.2447 -161437.6340 -109010.5044 298.8333 -123.2987 -99.4872 763122.9144 -0.3069 -0.3309 PRESSURE: 1203600 -412.502 -390.813 140.016 -390.813 -164.562 15.2881 140.016 15.2885 -212.233 GPRESSURE: 1203600 -390.641 -200.076 61.2329 -394.665 -140.07 -0.599147 305.435 139 -168.251 PRESSAVG: 1203600 -68.4106 -8.78976 21.6287 -8.78979 18.2736 17.5495 21.6287 17.5496 5.95594 GPRESSAVG: 1203600 -67.9111 -7.83807 20.0845 -8.51299 17.5575 18.4926 21.43 18.0086 5.66178 TIMING: 1203600 CPU: 3815.14, 0.00318036/step Wall: 3815.14, 0.00318036/step, 3.35386 hours remaining, 237.546875 MB of memory in use. ENERGY: 1203600 4071.5296 20463.5220 14434.8656 229.2501 -203278.7089 2653.0070 0.0000 0.0000 52166.1186 -109260.4160 299.7994 -161426.5345 -108902.1113 298.9297 -263.0990 -232.9875 762100.9207 -14.7270 -14.8973 PRESSURE: 1203800 52.0214 -332.997 21.9904 -332.997 437.008 59.2377 21.9907 59.238 419.623 GPRESSURE: 1203800 152.554 -319.308 97.5297 -238.628 435.118 194.391 -22.7192 -12.3299 403.285 PRESSAVG: 1203800 19.7401 -86.4873 15.9582 -86.4872 -87.7636 27.6411 15.9582 27.6411 -1.66359 GPRESSAVG: 1203800 20.1526 -85.7191 16.4474 -86.8992 -87.3192 27.5137 15.9804 28.9482 -2.13509 TIMING: 1203800 CPU: 3815.78, 0.00317734/step Wall: 3815.78, 0.00317734/step, 3.35051 hours remaining, 237.546875 MB of memory in use. ENERGY: 1203800 3970.7942 20416.7749 14486.6336 240.6062 -203196.4248 2769.4427 0.0000 0.0000 52117.6669 -109194.5064 299.5209 -161312.1733 -108835.9585 298.9770 302.8841 330.3187 762892.4376 -23.2291 -23.1005 PRESSURE: 1204000 47.1085 -60.9451 35.3778 -60.9464 -276.512 228.373 35.3779 228.374 -30.4816 GPRESSURE: 1204000 27.4792 -0.191502 -105.184 -103.936 -199.364 303.108 28.791 241.181 -2.68878 PRESSAVG: 1204000 49.8178 25.2269 -28.494 25.2269 -9.6806 28.4196 -28.494 28.4196 9.30695 GPRESSAVG: 1204000 48.5203 23.5795 -28.0782 25.1509 -9.84919 28.5831 -30.2381 28.0681 10.1363 TIMING: 1204000 CPU: 3816.41, 0.00317664/step Wall: 3816.41, 0.00317664/step, 3.34959 hours remaining, 237.546875 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: 1204000 4010.8609 20602.3590 14462.3572 249.8067 -203013.8771 2514.9454 0.0000 0.0000 52011.9779 -109161.5701 298.9136 -161173.5480 -108792.7084 299.4430 -86.6282 -58.1912 762613.9690 16.4814 16.2691 PRESSURE: 1204200 169.065 105.7 57.5511 105.7 -132.238 129.39 57.5506 129.391 -160.091 GPRESSURE: 1204200 150.391 186.548 -8.15627 12.3872 -92.1038 135.713 -41.675 128.288 -91.2398 PRESSAVG: 1204200 27.8669 -13.1405 2.40806 -13.1406 -4.20915 21.6937 2.40809 21.6937 27.5982 GPRESSAVG: 1204200 28.1462 -13.8035 0.477254 -13.6752 -4.57382 20.6162 4.60257 21.8396 27.5203 TIMING: 1204200 CPU: 3817.04, 0.00316564/step Wall: 3817.04, 0.00316564/step, 3.33782 hours remaining, 237.546875 MB of memory in use. ENERGY: 1204200 4013.4756 20633.7290 14488.3861 222.9224 -203102.8846 2672.9236 0.0000 0.0000 51998.5860 -109072.8619 298.8366 -161071.4479 -108717.8148 299.7187 -41.0879 -10.9841 763099.5446 17.0853 17.0309 LDB: ============= START OF LOAD BALANCING ============== 3829.5 LDB: ============== END OF LOAD BALANCING =============== 3829.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3829.5 LDB: ============= START OF LOAD BALANCING ============== 3829.82 LDB: Largest compute 7029 load 0.035480 is 18.2% of average load 0.195154 LDB: Average compute 0.004414 is 2.3% of average load 0.195154 LDB: TIME 3829.82 LOAD: AVG 0.195154 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.113 MB LDB: TIME 3829.82 LOAD: AVG 0.195154 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.113 MB LDB: TIME 3829.82 LOAD: AVG 0.195154 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.113 MB LDB: ============== END OF LOAD BALANCING =============== 3829.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3829.83 PRESSURE: 1204400 -97.1683 71.0124 -34.273 71.0121 126.378 -154.294 -34.273 -154.295 -70.2946 GPRESSURE: 1204400 -93.5674 -10.6428 -4.02669 10.3925 179.404 -90.1551 -48.1642 -164.691 -51.7052 PRESSAVG: 1204400 18.6677 -32.0624 -14.9057 -32.0624 -47.3046 22.4466 -14.9057 22.4466 -10.5904 GPRESSAVG: 1204400 18.6549 -30.6985 -12.7916 -29.9011 -45.5957 22.2676 -13.7826 23.77 -11.8498 TIMING: 1204400 CPU: 3817.69, 0.00323497/step Wall: 3817.69, 0.00323497/step, 3.41074 hours remaining, 237.652344 MB of memory in use. ENERGY: 1204400 3996.9696 20552.5727 14482.2952 236.3520 -202822.7769 2491.7994 0.0000 0.0000 51913.3959 -109149.3922 298.3470 -161062.7881 -108790.8195 299.8814 -13.6949 11.3771 762377.9861 -13.0758 -12.9302 PRESSURE: 1204600 82.8492 -161.588 -186.249 -161.588 -268.551 120.264 -186.25 120.263 367.151 GPRESSURE: 1204600 71.9059 -7.93558 -165.983 -189.195 -223.93 193.356 -85.1637 118.05 400.003 PRESSAVG: 1204600 14.9512 -55.3486 -32.0733 -55.3486 14.284 -45.4112 -32.0734 -45.4113 -7.08045 GPRESSAVG: 1204600 14.9029 -55.5002 -33.5917 -57.1415 13.363 -44.54 -32.3842 -48.1955 -6.20207 TIMING: 1204600 CPU: 3818.32, 0.00315438/step Wall: 3818.32, 0.00315438/step, 3.32559 hours remaining, 237.855469 MB of memory in use. ENERGY: 1204600 4013.9020 20542.6622 14477.6948 227.5585 -202996.3068 2450.5955 0.0000 0.0000 52060.5635 -109223.3303 299.1928 -161283.8938 -108873.0861 299.6484 60.4830 82.6597 760413.4779 7.3849 7.3546 PRESSURE: 1204800 -170.448 11.4092 44.7297 11.4098 17.4612 -111.954 44.7291 -111.954 42.7457 GPRESSURE: 1204800 -147.721 -47.6901 18.6129 78.8294 86.9865 -58.0306 -39.2467 -91.498 44.5826 PRESSAVG: 1204800 1.29291 -16.6204 7.29324 -16.6204 6.35346 -47.1148 7.29323 -47.1148 23.7256 GPRESSAVG: 1204800 1.45482 -17.5147 10.8758 -16.2007 6.3564 -47.9578 4.64002 -44.6934 23.5758 TIMING: 1204800 CPU: 3818.96, 0.0031715/step Wall: 3818.96, 0.0031715/step, 3.34347 hours remaining, 237.855469 MB of memory in use. ENERGY: 1204800 3959.6353 20424.3396 14446.3927 251.4748 -202909.0605 2419.8451 0.0000 0.0000 52058.1184 -109349.2546 299.1787 -161407.3730 -108981.9093 299.4512 -36.7470 -5.3839 761042.3647 10.4573 10.4623 PRESSURE: 1205000 -174.757 -118.944 -239.259 -118.944 11.2419 -27.3818 -239.259 -27.3818 53.5307 GPRESSURE: 1205000 -74.237 -109.315 -177.316 -115.518 57.2436 -84.0197 -134.752 -58.5424 -4.23379 PRESSAVG: 1205000 -36.4311 -40.0691 5.52984 -40.0691 7.12371 18.4431 5.52982 18.4432 18.3749 GPRESSAVG: 1205000 -35.5607 -41.0507 2.72437 -39.8417 6.53736 17.3444 8.65008 17.44 18.0541 TIMING: 1205000 CPU: 3819.59, 0.00316277/step Wall: 3819.59, 0.00316277/step, 3.33408 hours remaining, 237.855469 MB of memory in use. ENERGY: 1205000 3965.7827 20421.5600 14488.5098 250.4600 -203051.0408 2394.4141 0.0000 0.0000 52038.5571 -109491.7570 299.0663 -161530.3141 -109121.4908 298.5709 -36.6615 -7.0757 760640.1619 -3.6442 -3.6564 PRESSURE: 1205200 199.289 -199.052 -198.242 -199.051 -11.9248 214.774 -198.242 214.773 239.685 GPRESSURE: 1205200 307.457 -180.871 -178.595 -274.495 25.2695 210.616 -243.448 193.479 184.819 PRESSAVG: 1205200 13.64 -19.909 -22.2004 -19.909 -0.360775 39.733 -22.2004 39.7331 1.17917 GPRESSAVG: 1205200 11.7385 -16.9185 -23.7552 -20.3491 0.895601 40.0943 -23.1518 40.4276 1.14848 TIMING: 1205200 CPU: 3820.22, 0.00317792/step Wall: 3820.22, 0.00317792/step, 3.34988 hours remaining, 237.855469 MB of memory in use. ENERGY: 1205200 3988.9154 20436.1115 14470.0975 244.6764 -203191.0957 2559.6510 0.0000 0.0000 51774.5961 -109717.0478 297.5493 -161491.6439 -109365.5043 298.0753 142.3497 172.5151 759381.6548 4.8195 4.5942 PRESSURE: 1205400 -203.904 -79.6479 161.626 -79.6479 -48.1205 -100.387 161.626 -100.388 -330.872 GPRESSURE: 1205400 -143.455 -123.343 244.744 -116.738 -37.133 -157.004 217.255 54.6715 -306.913 PRESSAVG: 1205400 -22.361 -38.7107 -22.8195 -38.7107 11.0735 12.602 -22.8195 12.602 5.79509 GPRESSAVG: 1205400 -22.485 -41.4742 -20.977 -40.2472 10.8783 11.2384 -22.9239 12.2892 5.61844 TIMING: 1205400 CPU: 3820.86, 0.00318522/step Wall: 3820.86, 0.00318522/step, 3.3574 hours remaining, 237.855469 MB of memory in use. ENERGY: 1205400 3958.7434 20512.7983 14490.5336 225.0402 -203217.8002 2652.2566 0.0000 0.0000 51804.8019 -109573.6262 297.7229 -161378.4281 -109210.9588 297.9333 -194.2987 -162.5003 762554.6011 -1.8308 -1.9961 PRESSURE: 1205600 -72.4945 33.1407 11.8632 33.1408 -192.249 -16.6631 11.8631 -16.6629 -12.5699 GPRESSURE: 1205600 28.3925 -2.70415 50.7871 25.0086 -158.989 -25.4536 -7.80405 37.3507 -66.3246 PRESSAVG: 1205600 29.5014 -48.6005 6.2732 -48.6005 -22.7372 -10.0729 6.27313 -10.0729 -11.9604 GPRESSAVG: 1205600 30.3747 -49.3868 6.79503 -47.0875 -23.7619 -8.29676 6.13511 -10.1867 -12.1136 TIMING: 1205600 CPU: 3821.5, 0.00321087/step Wall: 3821.5, 0.00321087/step, 3.38426 hours remaining, 237.855469 MB of memory in use. ENERGY: 1205600 3928.8965 20519.7742 14492.4383 250.1328 -203214.7421 2522.4014 0.0000 0.0000 52169.5394 -109331.5595 299.8191 -161501.0989 -108964.9260 298.7956 -92.4379 -65.6404 761416.8968 -1.7321 -1.8336 PRESSURE: 1205800 -434.697 31.2396 6.61902 31.2397 9.4669 -209.366 6.61974 -209.366 203.213 GPRESSURE: 1205800 -285.166 35.4021 -58.1574 -42.9779 -52.674 -234.432 -60.9965 -214.093 212.213 PRESSAVG: 1205800 30.3666 -19.8268 -6.25299 -19.8268 -87.6728 3.58958 -6.25293 3.58962 6.03633 GPRESSAVG: 1205800 30.5221 -17.9742 -7.2923 -21.3164 -86.3323 2.94685 -6.89775 3.52168 4.8684 TIMING: 1205800 CPU: 3822.14, 0.00317764/step Wall: 3822.14, 0.00317764/step, 3.34906 hours remaining, 237.855469 MB of memory in use. ENERGY: 1205800 3923.7393 20585.0694 14454.6366 267.8266 -202651.1642 2270.6071 0.0000 0.0000 51968.1663 -109181.1190 298.6618 -161149.2853 -108826.4311 299.4576 -74.0059 -41.8758 762424.0503 -17.0900 -16.9806 PRESSURE: 1206000 496.176 -99.3164 -255.381 -99.3165 470.879 196.11 -255.381 196.11 230.353 GPRESSURE: 1206000 447.125 -120.192 -228.498 -66.9047 608.375 218.95 -230.702 169.942 199.163 PRESSAVG: 1206000 9.29341 24.072 -54.7437 24.072 34.6871 -36.4147 -54.7438 -36.4147 4.67225 GPRESSAVG: 1206000 8.53775 23.6652 -54.7573 25.9562 33.7246 -34.9109 -55.3705 -37.3498 6.26766 TIMING: 1206000 CPU: 3822.78, 0.00318603/step Wall: 3822.78, 0.00318603/step, 3.35772 hours remaining, 237.855469 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: 1206000 3962.5351 20330.6443 14556.1764 242.1876 -203096.4580 2911.3693 0.0000 0.0000 52065.2537 -109028.2916 299.2197 -161093.5454 -108660.9179 299.5775 399.1362 418.2212 759177.6857 16.2176 16.1767 PRESSURE: 1206200 150.861 73.8217 31.3638 73.822 -476.185 -52.1089 31.3645 -52.108 -254.603 GPRESSURE: 1206200 149.429 93.7289 38.329 -22.5878 -415.067 -29.5825 -38.5582 -63.0289 -220.292 PRESSAVG: 1206200 51.0112 10.1491 -29.357 10.1491 16.5975 -34.4257 -29.357 -34.4257 -6.56048 GPRESSAVG: 1206200 52.5559 9.6928 -28.5889 10.148 16.2218 -35.2728 -30.7453 -32.3467 -6.56388 TIMING: 1206200 CPU: 3823.41, 0.00318409/step Wall: 3823.41, 0.00318409/step, 3.3555 hours remaining, 237.855469 MB of memory in use. ENERGY: 1206200 4048.2731 20456.6585 14476.8479 256.7757 -202598.5012 2212.9547 0.0000 0.0000 52179.1612 -108967.8300 299.8744 -161146.9912 -108614.1042 299.6236 -193.3090 -161.9764 759641.1338 20.3494 20.7379 PRESSURE: 1206400 100.361 -46.1979 36.4654 -46.197 66.7263 -28.2227 36.4656 -28.223 -88.8413 GPRESSURE: 1206400 158.752 -69.4665 93.8368 -55.2183 84.4176 -135.295 43.6562 -104.529 -75.3815 PRESSAVG: 1206400 16.7963 24.8671 23.887 24.8671 -28.466 -5.24703 23.887 -5.24704 3.05589 GPRESSAVG: 1206400 15.316 25.2162 23.961 24.2045 -26.7297 -5.90707 28.1819 -6.38722 2.89444 TIMING: 1206400 CPU: 3824.05, 0.00320211/step Wall: 3824.05, 0.00320211/step, 3.37432 hours remaining, 237.855469 MB of memory in use. ENERGY: 1206400 3969.8998 20392.7211 14411.7172 254.3697 -202804.2255 2561.2357 0.0000 0.0000 52406.7561 -108807.5259 301.1823 -161214.2820 -108447.7647 300.0493 26.0821 55.9295 761862.7020 -2.8713 -2.8397 PRESSURE: 1206600 280.019 -24.2611 -69.5463 -24.2612 -13.0848 -248.897 -69.5464 -248.898 317.018 GPRESSURE: 1206600 312.723 -0.322089 -130.189 79.8677 -46.212 -268.114 -146.724 -174.028 374.772 PRESSAVG: 1206600 34.3652 -29.2429 22.6784 -29.2429 -42.024 -74.8072 22.6784 -74.8071 -3.76998 GPRESSAVG: 1206600 36.6181 -29.9969 21.4242 -28.3072 -43.6941 -76.2831 22.7697 -73.0561 -4.28233 TIMING: 1206600 CPU: 3824.69, 0.00318643/step Wall: 3824.69, 0.00318643/step, 3.35761 hours remaining, 237.855469 MB of memory in use. ENERGY: 1206600 4023.1847 20403.3696 14450.0453 246.4585 -202973.9413 2566.7051 0.0000 0.0000 52522.6572 -108761.5208 301.8484 -161284.1780 -108396.5521 300.2211 194.6508 213.7610 761041.5219 -3.8096 -3.7861 PRESSURE: 1206800 -2.40322 -3.34418 -22.3664 -3.34449 273.609 -12.6381 -22.3672 -12.6388 298.797 GPRESSURE: 1206800 110.6 -44.7348 85.3229 -1.49338 209.205 -15.8622 -36.9799 -22.1992 352.305 PRESSAVG: 1206800 21.2718 0.4872 30.0717 0.487164 -55.5083 -59.0541 30.0717 -59.0541 -29.0845 GPRESSAVG: 1206800 20.4433 -0.6228 30.7104 1.05255 -55.6418 -57.5827 28.089 -58.6061 -27.7823 TIMING: 1206800 CPU: 3825.33, 0.00317415/step Wall: 3825.33, 0.00317415/step, 3.34449 hours remaining, 237.855469 MB of memory in use. ENERGY: 1206800 3900.4437 20569.6114 14553.2589 232.0810 -202691.4616 2479.4905 0.0000 0.0000 52057.4344 -108899.1417 299.1748 -160956.5761 -108543.5969 300.4552 190.0007 224.0365 760383.3783 -21.1070 -20.9936 PRESSURE: 1207000 156.888 36.5812 -73.9702 36.5829 -89.7505 135.48 -73.9704 135.48 -279.758 GPRESSURE: 1207000 212.706 166.758 -5.44378 52.6509 -3.85785 82.5937 -126.433 141.807 -307.263 PRESSAVG: 1207000 4.00611 73.4167 -8.16605 73.4166 -15.7267 -46.7164 -8.166 -46.7164 16.1145 GPRESSAVG: 1207000 3.61052 74.046 -6.09326 72.2512 -14.9642 -46.5862 -10.1347 -47.7083 15.3254 TIMING: 1207000 CPU: 3825.97, 0.00320524/step Wall: 3825.97, 0.00320524/step, 3.37708 hours remaining, 237.855469 MB of memory in use. ENERGY: 1207000 3995.2772 20454.2181 14465.8089 237.4658 -203027.1603 2670.9493 0.0000 0.0000 52108.6010 -109094.8399 299.4688 -161203.4409 -108731.0027 299.5703 -70.8734 -32.8048 761185.0262 1.4646 1.3239 PRESSURE: 1207200 -110.174 270.901 5.04839 270.901 -334.324 272.762 5.04832 272.762 -59.7345 GPRESSURE: 1207200 -111.135 194.334 108.584 269.717 -219.077 273.989 10.8279 259.201 -87.4915 PRESSAVG: 1207200 -16.5659 32.7945 -5.80801 32.7945 13.7407 -56.7623 -5.80798 -56.7623 10.3975 GPRESSAVG: 1207200 -16.3293 32.2537 -6.67432 32.4577 14.2457 -57.5269 -4.90327 -56.23 9.26259 TIMING: 1207200 CPU: 3826.6, 0.00316748/step Wall: 3826.6, 0.00316748/step, 3.33712 hours remaining, 237.855469 MB of memory in use. ENERGY: 1207200 3923.4414 20397.1279 14417.7802 241.4249 -202565.0535 2261.5780 0.0000 0.0000 52020.1177 -109303.5835 298.9603 -161323.7011 -108951.8575 299.1944 -168.0772 -139.2344 760605.4372 2.5241 2.3930 PRESSURE: 1207400 252.894 -82.1654 58.531 -82.1651 -26.6002 20.7938 58.5311 20.7938 -43.7104 GPRESSURE: 1207400 273.559 -80.8824 -9.98618 -110.515 -21.8658 70.9574 4.64468 4.89498 17.9031 PRESSAVG: 1207400 17.9408 2.25737 10.7306 2.25736 -22.8284 39.8955 10.7306 39.8954 -4.25099 GPRESSAVG: 1207400 17.504 4.14814 10.4556 3.06355 -22.6098 40.8017 10.2335 38.6273 -4.08836 TIMING: 1207400 CPU: 3827.24, 0.00318873/step Wall: 3827.24, 0.00318873/step, 3.35933 hours remaining, 237.855469 MB of memory in use. ENERGY: 1207400 3971.2707 20570.4692 14489.8632 255.2978 -203102.2053 2786.6215 0.0000 0.0000 51757.9662 -109270.7167 297.4537 -161028.6829 -108924.1385 298.6022 60.8613 89.8654 761100.8769 -3.0462 -3.0647 PRESSURE: 1207600 -27.285 269.846 -172.253 269.846 29.843 -33.2257 -172.255 -33.2256 345.95 GPRESSURE: 1207600 154.628 144.498 -92.7587 302.793 32.0337 -49.067 -42.6037 -29.9486 263.37 PRESSAVG: 1207600 17.8605 -2.78397 27.1647 -2.78396 -33.7961 14.5875 27.1647 14.5875 22.6851 GPRESSAVG: 1207600 17.4764 -3.43713 27.5776 -3.32239 -33.5337 14.8636 29.3938 15.752 22.7424 TIMING: 1207600 CPU: 3827.87, 0.00316942/step Wall: 3827.87, 0.00316942/step, 3.33881 hours remaining, 237.855469 MB of memory in use. ENERGY: 1207600 4041.3156 20614.5435 14403.0287 244.5894 -202944.1114 2458.1778 0.0000 0.0000 51954.4438 -109228.0125 298.5829 -161182.4563 -108855.6043 298.8066 116.1694 150.0107 761250.5033 2.2498 2.2284 PRESSURE: 1207800 160.55 -78.768 -126.438 -78.7674 -289.085 62.366 -126.438 62.3666 70.0732 GPRESSURE: 1207800 221.86 -63.2374 -193.114 -30.8095 -279.576 71.8149 -179.296 26.6074 78.3935 PRESSAVG: 1207800 33.1756 11.5031 -11.8346 11.5031 -27.8667 -2.56722 -11.8346 -2.56725 14.1072 GPRESSAVG: 1207800 32.2322 11.0784 -13.4473 12.7188 -28.4247 -2.58637 -12.2208 -3.74546 15.4131 TIMING: 1207800 CPU: 3828.51, 0.00318225/step Wall: 3828.51, 0.00318225/step, 3.35215 hours remaining, 237.855469 MB of memory in use. ENERGY: 1207800 3901.6484 20507.1339 14535.4073 252.3650 -203165.6484 2692.9432 0.0000 0.0000 51934.6534 -109341.4971 298.4692 -161276.1506 -108988.9490 299.1557 -19.4873 6.8925 761517.6005 6.4720 6.4069 PRESSURE: 1208000 -22.6702 200.388 10.6847 200.388 -53.4286 -71.7752 10.6849 -71.7741 -112.174 GPRESSURE: 1208000 -9.59645 209.038 -39.6908 100.945 6.05333 -75.8497 -1.52656 -88.0649 -91.8688 PRESSAVG: 1208000 58.6717 28.633 -0.326857 28.6329 -8.20728 -22.0341 -0.326815 -22.0341 15.5968 GPRESSAVG: 1208000 58.921 30.7229 -1.75931 26.9814 -8.37839 -21.7542 -2.84466 -22.6732 15.0465 TIMING: 1208000 CPU: 3829.15, 0.0031884/step Wall: 3829.15, 0.0031884/step, 3.35845 hours remaining, 237.855469 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: 1208000 4052.9365 20473.0331 14507.4028 256.3091 -203043.1293 2604.0326 0.0000 0.0000 51760.0497 -109389.3655 297.4657 -161149.4152 -109030.4063 299.0341 -62.7575 -31.8040 762254.7919 22.0204 21.8630 PRESSURE: 1208200 -34.4261 174.182 150.737 174.181 -52.1253 73.6375 150.736 73.6389 439.361 GPRESSURE: 1208200 60.0974 51.3336 238.262 236.594 -13.0688 121.768 85.6717 118.833 365.724 PRESSAVG: 1208200 -29.6643 -68.4427 30.6398 -68.4426 13.9782 -53.645 30.6398 -53.6451 -2.74093 GPRESSAVG: 1208200 -29.105 -70.5498 32.4334 -65.4113 14.815 -53.2888 33.7287 -54.7214 -4.03339 TIMING: 1208200 CPU: 3829.79, 0.0032065/step Wall: 3829.79, 0.0032065/step, 3.37733 hours remaining, 237.855469 MB of memory in use. ENERGY: 1208200 3967.8058 20446.7241 14463.8918 252.9035 -203242.2222 2654.9859 0.0000 0.0000 51924.6666 -109531.2444 298.4118 -161455.9110 -109173.9375 298.8460 117.6031 137.5844 761974.1080 -6.1423 -6.1078 LDB: ============= START OF LOAD BALANCING ============== 3842.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3842.25 LDB: =============== DONE WITH MIGRATION ================ 3842.25 LDB: ============= START OF LOAD BALANCING ============== 3842.57 LDB: Largest compute 7060 load 0.036506 is 18.7% of average load 0.195115 LDB: Average compute 0.004419 is 2.3% of average load 0.195115 LDB: TIME 3842.57 LOAD: AVG 0.195115 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.652 MB LDB: TIME 3842.57 LOAD: AVG 0.195115 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: TIME 3842.57 LOAD: AVG 0.195115 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: ============== END OF LOAD BALANCING =============== 3842.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3842.58 PRESSURE: 1208400 301.444 23.2337 -435.334 23.234 -2.12257 -81.5119 -435.334 -81.5124 168.187 GPRESSURE: 1208400 376.368 -56.4841 -352.2 48.2291 7.65367 -22.2915 -420.15 -169.171 152.552 PRESSAVG: 1208400 12.5913 -45.5437 43.0192 -45.5437 -40.7466 -80.0579 43.0192 -80.0579 14.6543 GPRESSAVG: 1208400 12.8466 -44.8735 44.9413 -49.2833 -41.491 -81.9433 40.9405 -76.4517 15.478 TIMING: 1208400 CPU: 3830.44, 0.00327781/step Wall: 3830.44, 0.00327781/step, 3.45226 hours remaining, 237.652344 MB of memory in use. ENERGY: 1208400 3905.5061 20552.6531 14491.5422 256.4125 -203769.0829 2866.1912 0.0000 0.0000 52008.9336 -109687.8442 298.8961 -161696.7779 -109333.6956 298.1169 155.8362 178.8580 760823.1141 -4.5003 -4.3888 PRESSURE: 1208600 51.9753 130.923 318.883 130.923 285.46 169.967 318.883 169.968 291.774 GPRESSURE: 1208600 73.599 -10.0894 237.4 -23.3996 235.186 124.169 394.751 104.199 410.535 PRESSAVG: 1208600 -10.1235 6.91966 25.1051 6.9197 2.96663 26.4461 25.1051 26.4461 -12.8036 GPRESSAVG: 1208600 -10.298 6.44266 24.5343 8.83798 3.13462 27.9805 26.147 23.318 -12.6719 TIMING: 1208600 CPU: 3831.08, 0.0032018/step Wall: 3831.08, 0.0032018/step, 3.37203 hours remaining, 237.652344 MB of memory in use. ENERGY: 1208600 3982.2278 20526.8313 14454.0683 233.0076 -203460.9448 2823.1059 0.0000 0.0000 52012.7566 -109428.9472 298.9180 -161441.7038 -109068.5396 298.5232 209.7365 239.7734 762063.3698 -6.6535 -6.6117 PRESSURE: 1208800 -215.27 -116.034 117.091 -116.035 -96.4512 40.4138 117.091 40.4137 -74.7174 GPRESSURE: 1208800 -161.523 -124.824 149.415 -137.935 -71.3375 40.9916 30.9868 -64.4963 -78.579 PRESSAVG: 1208800 -54.4815 -68.666 11.7173 -68.666 73.0813 -28.8232 11.7173 -28.8231 7.48555 GPRESSAVG: 1208800 -53.133 -68.7858 10.5407 -68.7298 71.34 -28.9352 11.1916 -28.274 7.83802 TIMING: 1208800 CPU: 3831.73, 0.00321707/step Wall: 3831.73, 0.00321707/step, 3.38793 hours remaining, 237.652344 MB of memory in use. ENERGY: 1208800 4009.7405 20456.4642 14408.3478 241.5896 -203113.7416 2460.8291 0.0000 0.0000 52263.8569 -109272.9135 300.3611 -161536.7704 -108904.1411 299.1321 -128.8129 -103.8131 761465.3679 8.6951 8.6817 PRESSURE: 1209000 -84.6224 48.068 3.10447 48.0681 -328.677 61.1153 3.10423 61.1148 -369.648 GPRESSURE: 1209000 5.8651 63.504 22.5386 -25.5077 -263.252 59.6645 -22.8335 -9.84014 -444.013 PRESSAVG: 1209000 -3.92099 -45.3555 -33.0678 -45.3555 -11.1609 -13.3032 -33.0678 -13.3032 4.30396 GPRESSAVG: 1209000 -5.22716 -45.1975 -33.8734 -44.7877 -9.15867 -14.7188 -31.2843 -13.7532 3.57941 TIMING: 1209000 CPU: 3832.37, 0.00320085/step Wall: 3832.37, 0.00320085/step, 3.37067 hours remaining, 237.652344 MB of memory in use. ENERGY: 1209000 4007.4605 20543.5909 14427.4683 233.7417 -203041.1586 2343.4602 0.0000 0.0000 52166.2312 -109319.2057 299.8000 -161485.4369 -108959.3196 299.4419 -260.9823 -233.7999 763201.1631 -3.5926 -3.6021 PRESSURE: 1209200 466.718 140.439 76.9939 140.439 -137.392 -68.9102 76.9946 -68.9085 -67.5733 GPRESSURE: 1209200 407.279 35.1446 3.33411 75.9366 13.9999 -42.3922 53.8001 90.2412 -65.0891 PRESSAVG: 1209200 6.05154 -31.6166 -17.4079 -31.6166 24.2071 26.9157 -17.4079 26.9156 -4.66369 GPRESSAVG: 1209200 5.94302 -30.8223 -17.721 -31.6422 25.0369 28.0401 -16.9036 28.1964 -5.2341 TIMING: 1209200 CPU: 3833.01, 0.00319407/step Wall: 3833.01, 0.00319407/step, 3.36335 hours remaining, 237.652344 MB of memory in use. ENERGY: 1209200 4009.1207 20647.5993 14443.6274 264.2313 -203592.5286 2875.8771 0.0000 0.0000 52201.5151 -109150.5577 300.0028 -161352.0728 -108789.2263 299.6502 87.2507 118.7298 760378.5887 8.5317 8.5819 PRESSURE: 1209400 -100.954 -228.127 -29.0895 -228.127 14.1923 441.511 -29.0905 441.511 25.3334 GPRESSURE: 1209400 -79.5281 -177.587 117.143 -310.201 95.2603 376.062 37.6598 313.22 3.15998 PRESSAVG: 1209400 45.6292 -43.7983 44.2284 -43.7983 -23.9528 -18.5371 44.2285 -18.5371 5.63195 GPRESSAVG: 1209400 45.5007 -41.115 44.5969 -45.693 -24.7954 -18.8975 43.9402 -18.4491 6.30931 TIMING: 1209400 CPU: 3833.65, 0.00321704/step Wall: 3833.65, 0.00321704/step, 3.38736 hours remaining, 237.652344 MB of memory in use. ENERGY: 1209400 3939.8716 20626.1487 14430.3260 244.4872 -203126.3649 2509.9082 0.0000 0.0000 52232.3116 -109143.3114 300.1798 -161375.6231 -108776.4452 300.2565 -20.4761 6.2974 760965.9400 9.1028 9.0049 PRESSURE: 1209600 237.36 -42.467 57.271 -42.467 58.834 -186.975 57.2711 -186.974 -332.049 GPRESSURE: 1209600 284.075 -65.153 7.2764 -26.8306 86.6951 -169.379 44.9942 -176.651 -318.019 PRESSAVG: 1209600 17.1832 -19.5932 8.96306 -19.5931 -16.3002 -3.00188 8.96298 -3.00192 -24.6053 GPRESSAVG: 1209600 16.3158 -24.302 7.97284 -16.9359 -15.4529 -3.53521 8.74265 -3.69954 -24.6836 TIMING: 1209600 CPU: 3834.29, 0.00320393/step Wall: 3834.29, 0.00320393/step, 3.37338 hours remaining, 237.652344 MB of memory in use. ENERGY: 1209600 4053.7306 20472.3005 14391.5959 264.3240 -203196.6435 2721.2742 0.0000 0.0000 52137.0883 -109156.3300 299.6326 -161293.4183 -108794.4039 299.8337 -11.9517 17.5834 761440.7240 -7.9074 -7.9402 PRESSURE: 1209800 -57.0875 -411.962 240.278 -411.963 77.0554 -318.178 240.278 -318.178 25.1229 GPRESSURE: 1209800 31.2617 -262.055 254.844 -447.888 86.8368 -312.287 57.751 -211.373 3.3107 PRESSAVG: 1209800 3.46728 -36.7387 39.96 -36.7387 11.4418 -12.7893 39.9599 -12.7893 -7.00475 GPRESSAVG: 1209800 4.8966 -33.4027 40.7676 -39.3999 9.2517 -14.2545 36.8487 -10.2346 -6.05423 TIMING: 1209800 CPU: 3834.93, 0.00319434/step Wall: 3834.93, 0.00319434/step, 3.36311 hours remaining, 237.652344 MB of memory in use. ENERGY: 1209800 4024.1157 20461.9039 14448.1233 243.0715 -203284.1339 2588.1064 0.0000 0.0000 52129.3869 -109389.4262 299.5883 -161518.8132 -109031.1177 299.5645 15.0303 40.4697 760319.5098 2.6348 2.6980 PRESSURE: 1210000 201.845 -59.5311 157.756 -59.5315 -104.013 15.8105 157.756 15.81 -136.329 GPRESSURE: 1210000 208.521 -4.82815 221.903 -111.868 -16.2738 49.6504 151.989 -26.7438 -137.299 PRESSAVG: 1210000 -17.8605 -44.9859 14.529 -44.986 8.31579 -65.0413 14.529 -65.0413 -5.20949 GPRESSAVG: 1210000 -18.5324 -45.4546 16.5098 -43.066 9.59623 -62.5548 18.0265 -66.0464 -5.33071 TIMING: 1210000 CPU: 3835.57, 0.00318438/step Wall: 3835.57, 0.00318438/step, 3.35244 hours remaining, 237.652344 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: 1210000 4012.6564 20603.5784 14365.0733 243.8988 -203207.9662 2576.0773 0.0000 0.0000 52010.6921 -109395.9898 298.9062 -161406.6819 -109027.6433 299.2266 -12.8325 18.3160 761273.1042 -4.9181 -4.7556 PRESSURE: 1210200 155.752 -59.8068 -106.032 -59.8077 599.24 92.7585 -106.032 92.7579 307.416 GPRESSURE: 1210200 160.887 -31.0192 -134.957 -37.7569 587.724 97.0962 -210.706 155.061 396.975 PRESSAVG: 1210200 17.1027 -73.4071 40.9842 -73.4071 5.09751 -14.3404 40.9843 -14.3404 11.4961 GPRESSAVG: 1210200 17.5639 -75.7354 40.2896 -71.8312 5.18634 -13.3717 40.0612 -13.6741 10.8398 TIMING: 1210200 CPU: 3836.2, 0.00318101/step Wall: 3836.2, 0.00318101/step, 3.34872 hours remaining, 237.652344 MB of memory in use. ENERGY: 1210200 3926.4716 20430.2110 14347.3721 247.1464 -203278.0801 2950.4262 0.0000 0.0000 52196.3224 -109180.1303 299.9730 -161376.4527 -108817.6264 299.2346 354.1360 381.8623 761051.2215 11.2321 11.1967 PRESSURE: 1210400 279.932 95.5074 -191.136 95.5077 -36.3401 -212.113 -191.136 -212.113 161.117 GPRESSURE: 1210400 236.282 -14.1194 -126.168 36.9251 138.165 -188.486 -116.873 -239.378 146.462 PRESSAVG: 1210400 -47.8221 -15.3225 -34.4849 -15.3224 20.1306 29.0789 -34.4848 29.0789 -13.7034 GPRESSAVG: 1210400 -48.3037 -15.2786 -35.7777 -16.9075 19.9976 26.6094 -34.9927 28.2758 -13.5326 TIMING: 1210400 CPU: 3836.84, 0.00317956/step Wall: 3836.84, 0.00317956/step, 3.34701 hours remaining, 237.652344 MB of memory in use. ENERGY: 1210400 3974.9659 20491.2366 14510.0581 259.1663 -203626.8008 3130.0167 0.0000 0.0000 51974.9605 -109286.3966 298.7008 -161261.3572 -108925.3041 299.3135 134.9031 173.6362 762281.7007 -13.7983 -13.9462 PRESSURE: 1210600 -208.604 158.737 44.2621 158.737 -126.185 -204.077 44.2618 -204.077 -240.255 GPRESSURE: 1210600 -199.521 142.34 -105.369 182.152 -5.95251 -206.006 60.6263 -138.082 -259.239 PRESSAVG: 1210600 27.8008 -16.6181 37.8136 -16.618 -33.8212 -46.6828 37.8136 -46.6828 17.6791 GPRESSAVG: 1210600 27.8662 -17.2589 39.3879 -16.5592 -33.8704 -45.7137 36.3778 -46.4753 17.6282 TIMING: 1210600 CPU: 3837.48, 0.00320071/step Wall: 3837.48, 0.00320071/step, 3.3691 hours remaining, 237.652344 MB of memory in use. ENERGY: 1210600 3952.6505 20590.5572 14498.4902 221.9856 -203128.9636 2662.3327 0.0000 0.0000 51934.2172 -109268.7301 298.4667 -161202.9473 -108904.4155 299.2333 -191.6814 -154.9040 762736.5528 3.8862 3.8747 PRESSURE: 1210800 -71.737 30.4053 -28.9504 30.4055 194.516 -84.3314 -28.9502 -84.3306 -146.145 GPRESSURE: 1210800 -32.0136 -99.0343 -58.986 40.8161 227.165 -149.795 -184.848 -145.849 -153.82 PRESSAVG: 1210800 -13.6613 -37.9029 69.8682 -37.903 57.7092 -20.4731 69.8681 -20.4731 -13.9292 GPRESSAVG: 1210800 -14.241 -36.3838 67.7769 -38.7108 56.8658 -19.0733 72.0073 -23.0716 -12.836 TIMING: 1210800 CPU: 3838.12, 0.00318803/step Wall: 3838.12, 0.00318802/step, 3.35557 hours remaining, 237.652344 MB of memory in use. ENERGY: 1210800 3943.5300 20467.6007 14448.6323 240.5858 -203124.0081 2501.6361 0.0000 0.0000 52237.2570 -109284.7662 300.2082 -161522.0232 -108917.6338 299.4163 -7.7887 13.7770 760341.9599 10.0396 9.9296 PRESSURE: 1211000 -167.068 -18.8584 -92.997 -18.8584 -322.174 -106.571 -92.9974 -106.572 -389.297 GPRESSURE: 1211000 -293.312 85.0178 -102.546 -1.05107 -137.055 -210.744 -155.733 -86.5672 -377.476 PRESSAVG: 1211000 -35.0755 -8.00206 38.6564 -8.0021 23.9745 0.243605 38.6563 0.24363 3.03516 GPRESSAVG: 1211000 -35.1851 -8.65004 40.169 -8.12184 24.6069 -1.78641 35.3158 1.95497 2.5328 TIMING: 1211000 CPU: 3838.75, 0.00317386/step Wall: 3838.75, 0.00317386/step, 3.34049 hours remaining, 237.652344 MB of memory in use. ENERGY: 1211000 3974.9370 20544.4046 14419.7516 233.7141 -202962.8540 2225.8751 0.0000 0.0000 52176.0481 -109388.1235 299.8565 -161564.1716 -109023.6211 299.4619 -292.8462 -269.2811 761206.0470 -2.6886 -2.6818 PRESSURE: 1211200 -38.9289 -5.57225 -169.313 -5.572 -85.3703 198.949 -169.313 198.949 88.2812 GPRESSURE: 1211200 -2.13742 -48.506 -127.235 2.59877 -20.7956 187.569 2.50094 36.3478 86.2366 PRESSAVG: 1211200 -54.5617 -63.2228 10.7197 -63.2228 79.8971 -12.7502 10.7196 -12.7503 -17.3203 GPRESSAVG: 1211200 -54.6938 -62.8905 10.9403 -61.236 81.0458 -12.2063 13.1988 -12.1903 -17.71 TIMING: 1211200 CPU: 3839.39, 0.00317893/step Wall: 3839.39, 0.00317893/step, 3.34565 hours remaining, 237.652344 MB of memory in use. ENERGY: 1211200 3966.2722 20545.8996 14370.9659 247.8989 -203061.8283 2577.8581 0.0000 0.0000 52319.4916 -109033.4420 300.6808 -161352.9337 -108668.7086 299.6645 -12.0060 21.1012 759921.6641 2.6717 2.8807 PRESSURE: 1211400 51.651 76.2242 -60.4629 76.2238 -166.541 70.7536 -60.4622 70.7537 28.911 GPRESSURE: 1211400 37.3844 123.838 -31.5502 -18.7403 -162.871 80.2607 -14.7366 139.628 103.79 PRESSAVG: 1211400 -13.5272 -38.3603 4.48517 -38.3603 48.2798 44.2516 4.48511 44.2515 17.3489 GPRESSAVG: 1211400 -12.511 -36.6375 3.63103 -40.0417 47.9649 43.8117 5.33624 42.182 17.4653 TIMING: 1211400 CPU: 3840.02, 0.00317076/step Wall: 3840.02, 0.00317076/step, 3.33688 hours remaining, 237.652344 MB of memory in use. ENERGY: 1211400 3975.2636 20758.2289 14430.8800 240.0722 -203422.4160 2622.1736 0.0000 0.0000 52330.6204 -109065.1773 300.7448 -161395.7977 -108703.4149 300.1379 -28.6597 -7.2321 760609.8070 17.3672 17.6397 PRESSURE: 1211600 109.787 -22.4811 -43.7855 -22.481 154.524 -299.322 -43.7865 -299.323 -38.8768 GPRESSURE: 1211600 162.14 -46.2496 -69.8143 -64.6872 171.657 -241.503 -61.648 -303.336 -11.1066 PRESSAVG: 1211600 -12.7054 -8.3161 29.929 -8.31611 37.4236 -13.7685 29.929 -13.7685 -0.233711 GPRESSAVG: 1211600 -13.4641 -9.52968 30.0462 -10.1691 37.2885 -13.6791 28.8183 -13.2374 0.56015 TIMING: 1211600 CPU: 3840.66, 0.00319592/step Wall: 3840.66, 0.00319592/step, 3.36318 hours remaining, 237.652344 MB of memory in use. ENERGY: 1211600 4043.9324 20491.0167 14488.5299 254.6240 -203618.5649 3022.6238 0.0000 0.0000 52212.2805 -109105.5576 300.0647 -161317.8381 -108730.3951 299.7801 75.1448 107.5634 762410.5274 8.1615 8.1282 PRESSURE: 1211800 54.8706 69.4944 -153.02 69.495 -113.623 60.7904 -153.02 60.7904 59.6397 GPRESSURE: 1211800 40.8917 45.4331 -162.417 -31.3847 -6.0023 55.079 -76.1086 48.335 48.6684 PRESSAVG: 1211800 -3.7952 13.0746 37.0411 13.0746 -8.48532 4.2076 37.041 4.20766 0.831773 GPRESSAVG: 1211800 -1.68883 14.5254 37.1314 12.9109 -8.87627 5.91338 38.3673 4.21329 -0.751114 TIMING: 1211800 CPU: 3841.3, 0.00319821/step Wall: 3841.3, 0.00319821/step, 3.3654 hours remaining, 237.652344 MB of memory in use. ENERGY: 1211800 3959.5798 20568.6711 14476.0605 246.4517 -203372.0370 2650.9120 0.0000 0.0000 52420.7349 -109049.6270 301.2627 -161470.3619 -108698.4212 299.5117 0.2959 27.8526 762048.1818 -3.8163 -3.7721 PRESSURE: 1212000 111.427 -142.617 37.7833 -142.616 4.55006 -40.1858 37.7843 -40.1856 124.256 GPRESSURE: 1212000 138.139 -63.3894 -52.6927 -74.8942 77.4461 -13.7001 95.6233 -54.6779 113.881 PRESSAVG: 1212000 -39.6245 67.5944 -7.26721 67.5944 47.7417 33.1762 -7.26718 33.1763 -18.4288 GPRESSAVG: 1212000 -40.4837 67.1275 -8.62685 69.8262 48.9569 33.4773 -8.06023 33.7089 -18.5765 TIMING: 1212000 CPU: 3841.94, 0.00320435/step Wall: 3841.94, 0.00320435/step, 3.37169 hours remaining, 237.652344 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: 1212000 3958.1823 20477.0463 14410.0557 232.4005 -203086.7714 2637.9780 0.0000 0.0000 52259.3534 -109111.7552 300.3352 -161371.1086 -108748.5227 299.7111 80.0779 109.8220 763401.6862 -3.4372 -3.3678 PRESSURE: 1212200 48.109 29.9588 179.519 29.9586 -33.6502 -243.115 179.52 -243.116 -127.338 GPRESSURE: 1212200 145.349 -14.0053 137.454 -51.0101 -14.5324 -219.952 141.273 -135.061 -140.443 PRESSAVG: 1212200 13.8218 -12.626 18.8763 -12.626 -4.20737 -14.689 18.8763 -14.689 15.1057 GPRESSAVG: 1212200 13.8629 -14.7789 20.8174 -12.038 -6.38246 -15.4671 18.6374 -14.2798 16.7833 TIMING: 1212200 CPU: 3842.58, 0.00319077/step Wall: 3842.58, 0.00319077/step, 3.35722 hours remaining, 237.652344 MB of memory in use. ENERGY: 1212200 3995.5445 20554.7537 14471.7736 237.8760 -203438.4777 2700.6631 0.0000 0.0000 52093.9715 -109383.8952 299.3848 -161477.8667 -109017.2959 299.3379 -37.6264 -3.2089 761898.4519 8.2400 8.0879 LDB: ============= START OF LOAD BALANCING ============== 3855.03 LDB: ============== END OF LOAD BALANCING =============== 3855.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.04 LDB: ============= START OF LOAD BALANCING ============== 3855.35 LDB: Largest compute 7060 load 0.037573 is 19.3% of average load 0.195060 LDB: Average compute 0.004427 is 2.3% of average load 0.195060 LDB: TIME 3855.36 LOAD: AVG 0.19506 MAX 0.212584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.629 MB LDB: TIME 3855.36 LOAD: AVG 0.19506 MAX 0.212584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: TIME 3855.36 LOAD: AVG 0.19506 MAX 0.212584 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.633 MB LDB: ============== END OF LOAD BALANCING =============== 3855.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.36 PRESSURE: 1212400 -104.761 7.56228 -170.377 7.56188 386.192 4.0878 -170.378 4.08948 197.201 GPRESSURE: 1212400 45.1865 40.5822 -171.056 -14.8022 362.453 19.4391 -162.873 -41.2986 153.702 PRESSAVG: 1212400 -37.8443 -0.0248545 -7.08996 -0.0248393 -12.5028 23.3711 -7.09 23.3712 18.4157 GPRESSAVG: 1212400 -37.8471 2.06371 -9.09628 0.25016 -13.2162 25.8963 -8.07262 20.0259 18.4582 TIMING: 1212400 CPU: 3843.23, 0.00324941/step Wall: 3843.23, 0.00324941/step, 3.41874 hours remaining, 237.855469 MB of memory in use. ENERGY: 1212400 4009.3387 20594.2456 14346.6227 248.7303 -203509.8536 2883.2219 0.0000 0.0000 52146.7266 -109280.9678 299.6880 -161427.6944 -108918.8120 299.5119 159.5440 187.1138 760912.2229 -10.6438 -10.8684 PRESSURE: 1212600 -69.9765 33.562 11.5365 33.5622 -61.179 -92.6567 11.5367 -92.656 -329.009 GPRESSURE: 1212600 -98.8645 -83.6982 50.6734 52.773 -7.02637 -160.128 -108.977 45.4981 -287.95 PRESSAVG: 1212600 -28.8319 25.9617 -26.9848 25.9617 81.1164 -26.0003 -26.9848 -26.0003 -17.111 GPRESSAVG: 1212600 -28.4132 24.3622 -25.833 27.0758 81.8597 -29.3128 -27.1857 -20.817 -18.4366 TIMING: 1212600 CPU: 3843.86, 0.00318207/step Wall: 3843.86, 0.00318207/step, 3.34772 hours remaining, 237.855469 MB of memory in use. ENERGY: 1212600 3938.3016 20685.4554 14411.8781 236.3565 -203072.1531 2279.4721 0.0000 0.0000 52107.6588 -109413.0307 299.4634 -161520.6895 -109051.4297 299.0935 -153.3881 -131.2804 762975.2751 11.7245 11.6700 PRESSURE: 1212800 139.452 -132.561 -115.78 -132.561 449.949 75.9423 -115.78 75.9426 211.108 GPRESSURE: 1212800 170.749 -128.041 -83.9872 -21.9699 435.507 46.8569 -137.869 36.0169 263.291 PRESSAVG: 1212800 -47.7975 -0.773547 -3.84678 -0.773625 54.3449 -26.6768 -3.84676 -26.6767 16.1237 GPRESSAVG: 1212800 -47.9834 0.0769949 -2.47679 -0.815058 54.2042 -25.5822 -4.97298 -26.86 16.5992 TIMING: 1212800 CPU: 3844.51, 0.00320207/step Wall: 3844.51, 0.00320207/step, 3.36857 hours remaining, 237.855469 MB of memory in use. ENERGY: 1212800 4010.4472 20610.8998 14367.7409 246.7157 -203100.7918 2496.1564 0.0000 0.0000 51775.4177 -109593.4140 297.5540 -161368.8317 -109230.8177 298.8501 266.8364 289.8491 761672.0640 7.5570 7.6066 PRESSURE: 1213000 -439.967 -38.9354 148.048 -38.9355 70.6585 -7.20757 148.049 -7.20828 -134.127 GPRESSURE: 1213000 -321.51 -16.575 183.182 -29.6751 36.2103 -43.7461 198.654 88.7593 -140.164 PRESSAVG: 1213000 -0.0723814 6.59287 7.93747 6.5929 15.5305 -30.5303 7.93744 -30.5303 -6.35413 GPRESSAVG: 1213000 0.875882 7.81373 6.0799 5.24962 14.8808 -30.4077 8.96543 -31.7464 -5.71382 TIMING: 1213000 CPU: 3845.15, 0.00319892/step Wall: 3845.15, 0.00319891/step, 3.36508 hours remaining, 237.855469 MB of memory in use. ENERGY: 1213000 4062.2763 20528.8348 14415.4634 264.2266 -203282.4268 2435.1235 0.0000 0.0000 51997.0481 -109579.4542 298.8277 -161576.5022 -109216.3890 298.5128 -167.8117 -141.8214 759453.7674 3.0347 3.3476 PRESSURE: 1213200 263.892 -31.2373 19.9086 -31.238 111.203 7.3182 19.9086 7.31917 154.485 GPRESSURE: 1213200 232.133 -47.2029 25.5656 -4.61234 246.197 70.2905 123.643 -125.598 124.736 PRESSAVG: 1213200 -17.3902 9.44959 -12.0178 9.44964 83.61 -9.02357 -12.0178 -9.02363 25.0737 GPRESSAVG: 1213200 -18.4401 9.80517 -12.784 8.64624 85.7125 -8.58036 -11.1876 -11.3553 24.5806 TIMING: 1213200 CPU: 3845.78, 0.0031794/step Wall: 3845.78, 0.0031794/step, 3.34438 hours remaining, 237.855469 MB of memory in use. ENERGY: 1213200 3955.5906 20669.6146 14350.6983 245.1965 -203237.7955 2619.7482 0.0000 0.0000 52105.4013 -109291.5460 299.4505 -161396.9473 -108932.5013 299.1822 176.5267 201.0218 759812.8872 30.4312 30.6177 PRESSURE: 1213400 75.419 -217.257 145.709 -217.257 144.427 69.2861 145.71 69.2869 -61.9113 GPRESSURE: 1213400 83.876 -94.8358 119.01 -218.491 139.284 2.84674 118.058 51.8212 -3.54093 PRESSAVG: 1213400 -4.31147 -17.8454 6.2778 -17.8453 -18.1804 -33.0168 6.27784 -33.0168 -3.87691 GPRESSAVG: 1213400 -3.86654 -17.8911 7.17729 -17.3614 -18.8273 -32.7988 6.30021 -32.9302 -3.89288 TIMING: 1213400 CPU: 3846.42, 0.00318191/step Wall: 3846.42, 0.00318191/step, 3.34684 hours remaining, 237.855469 MB of memory in use. ENERGY: 1213400 4016.4644 20528.2956 14374.8935 240.2874 -203149.6222 2486.6103 0.0000 0.0000 52147.9365 -109355.1345 299.6949 -161503.0710 -108996.7020 299.7091 52.6449 73.2064 759041.2800 -8.7896 -8.8623 PRESSURE: 1213600 52.6433 -97.1697 41.7538 -97.1701 359.079 63.1953 41.754 63.1954 205.144 GPRESSURE: 1213600 120.853 -28.7703 -5.70946 -96.0404 400.417 136.11 69.2296 76.1653 185.098 PRESSAVG: 1213600 22.6955 -3.136 -19.5828 -3.136 5.26558 11.9535 -19.5828 11.9535 3.27254 GPRESSAVG: 1213600 22.7607 -3.01648 -19.1387 -4.84404 4.1858 12.4862 -19.2442 11.8164 5.00827 TIMING: 1213600 CPU: 3847.05, 0.00318474/step Wall: 3847.05, 0.00318474/step, 3.34964 hours remaining, 237.855469 MB of memory in use. ENERGY: 1213600 3989.3204 20536.9224 14446.6815 244.4512 -203177.5979 2531.9950 0.0000 0.0000 51943.3847 -109484.8427 298.5193 -161428.2275 -109120.0409 299.5878 205.6222 235.4564 759502.9041 10.4112 10.6516 PRESSURE: 1213800 84.1277 -177.846 138.402 -177.846 -147.862 57.706 138.402 57.7067 -202.351 GPRESSURE: 1213800 123.025 -215.867 72.8062 -132.64 -62.4605 -32.6406 315.768 -7.3452 -251.065 PRESSAVG: 1213800 -13.1935 -31.2772 -27.5527 -31.2772 -0.840791 64.4701 -27.5527 64.4701 10.117 GPRESSAVG: 1213800 -12.8323 -31.9392 -29.2971 -28.9969 -0.27258 63.7504 -27.6481 63.51 9.08443 TIMING: 1213800 CPU: 3847.69, 0.00318998/step Wall: 3847.69, 0.00318998/step, 3.35497 hours remaining, 237.855469 MB of memory in use. ENERGY: 1213800 4072.8499 20522.7462 14448.5737 232.2705 -203819.4610 2810.7371 0.0000 0.0000 52243.6395 -109488.6441 300.2449 -161732.2836 -109119.3915 299.3321 -88.6949 -63.5005 760587.3604 -1.3058 -1.3402 PRESSURE: 1214000 -258.714 -81.747 130.697 -81.7472 31.1022 -216.966 130.697 -216.968 -252.592 GPRESSURE: 1214000 -195.891 -90.7493 184.043 -100.495 60.4576 -197.843 -36.1794 -236.696 -253.026 PRESSAVG: 1214000 4.16632 -23.0667 -15.3981 -23.0667 -16.1742 -125.13 -15.398 -125.13 -16.1932 GPRESSAVG: 1214000 3.13449 -22.4283 -13.7863 -24.6518 -15.5929 -123.06 -18.024 -124.391 -15.3464 TIMING: 1214000 CPU: 3848.34, 0.00324404/step Wall: 3848.34, 0.00324404/step, 3.41165 hours remaining, 237.855469 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: 1214000 3978.2235 20568.3620 14352.8884 249.5225 -203329.8995 2464.6800 0.0000 0.0000 51956.1126 -109760.1104 298.5925 -161716.2231 -109397.3296 299.1079 -160.0681 -129.4863 760481.4302 -9.4004 -9.2682 PRESSURE: 1214200 -398.461 -30.0219 189.591 -30.0211 -132.177 -85.2318 189.591 -85.2323 -128.194 GPRESSURE: 1214200 -347.457 1.34131 177.68 -53.6759 -77.412 -83.8661 196.099 -97.0475 -158.645 PRESSAVG: 1214200 -33.5109 3.25768 -15.9304 3.25767 47.5648 -25.0599 -15.9303 -25.0599 1.17905 GPRESSAVG: 1214200 -31.8612 2.08946 -14.7428 3.53229 46.7681 -25.6381 -15.42 -25.8954 0.0238629 TIMING: 1214200 CPU: 3848.99, 0.00322714/step Wall: 3848.99, 0.00322714/step, 3.39369 hours remaining, 237.855469 MB of memory in use. ENERGY: 1214200 4006.7091 20453.1978 14394.8914 243.4732 -203370.5880 2538.7862 0.0000 0.0000 52148.7495 -109584.7808 299.6996 -161733.5303 -109228.6343 299.1732 -219.6107 -194.5047 757815.6861 5.0777 4.9769 PRESSURE: 1214400 0.395145 -93.3854 -129.535 -93.3852 99.4024 32.012 -129.535 32.0118 293.415 GPRESSURE: 1214400 15.741 13.9159 -63.4684 -157.231 98.0538 -3.22871 36.8409 26.3762 364.681 PRESSAVG: 1214400 -5.97572 -32.0471 19.1983 -32.0471 20.9389 -21.115 19.1983 -21.115 18.4876 GPRESSAVG: 1214400 -5.35577 -31.8675 16.7202 -31.4904 20.499 -22.3498 20.8452 -20.726 18.0678 TIMING: 1214400 CPU: 3849.63, 0.00320055/step Wall: 3849.63, 0.00320055/step, 3.36556 hours remaining, 237.855469 MB of memory in use. ENERGY: 1214400 4006.8187 20391.2565 14293.4169 229.6637 -203372.7466 2674.4901 0.0000 0.0000 52178.5331 -109598.5676 299.8707 -161777.1008 -109232.5483 299.1260 131.0708 159.4920 759125.0508 11.1502 11.0703 PRESSURE: 1214600 -2.76885 186.607 61.6073 186.608 175.709 -64.6218 61.6073 -64.6223 -186.809 GPRESSURE: 1214600 145.846 192.526 10.777 202.411 136.956 -72.7395 -88.5121 -90.5263 -234.494 PRESSAVG: 1214600 2.7667 -9.28722 25.3609 -9.28731 -29.4822 -34.5876 25.3608 -34.5876 10.7978 GPRESSAVG: 1214600 2.60067 -9.6463 24.2618 -8.74187 -29.7441 -34.8359 27.0307 -33.0268 10.7687 TIMING: 1214600 CPU: 3850.27, 0.00320988/step Wall: 3850.27, 0.00320988/step, 3.37518 hours remaining, 237.855469 MB of memory in use. ENERGY: 1214600 4032.5087 20734.5073 14302.1674 248.3589 -203517.3067 2733.5314 0.0000 0.0000 52135.7425 -109330.4905 299.6248 -161466.2330 -108972.3380 299.6301 -4.6229 16.1027 760759.8798 -5.3059 -5.4583 PRESSURE: 1214800 -408.721 63.4012 -160.346 63.4002 61.2705 -83.471 -160.345 -83.4709 498.627 GPRESSURE: 1214800 -388.881 96.1599 -64.835 -11.9507 137.805 -44.4798 -24.2149 -8.74479 500.174 PRESSAVG: 1214800 104.287 -20.1283 44.8504 -20.1283 -50.9388 6.1693 44.8504 6.16932 13.866 GPRESSAVG: 1214800 102.687 -21.5609 47.2991 -21.5954 -48.4793 7.24617 41.7187 6.08468 13.4627 TIMING: 1214800 CPU: 3850.9, 0.00317065/step Wall: 3850.9, 0.00317065/step, 3.33376 hours remaining, 237.855469 MB of memory in use. ENERGY: 1214800 4016.6184 20609.4082 14430.2958 250.2249 -203637.3232 2688.6056 0.0000 0.0000 52135.8922 -109506.2780 299.6257 -161642.1702 -109145.5516 300.1184 50.3923 83.0324 760357.8401 22.4047 22.5568 PRESSURE: 1215000 -295.929 -112.444 -17.0006 -112.445 139.864 132.832 -17.0006 132.833 -328.499 GPRESSURE: 1215000 -238.879 -70.5755 -43.8974 -100.214 155.001 139.739 -118.117 38.2182 -289.631 PRESSAVG: 1215000 -8.82954 -25.8666 31.7068 -25.8667 4.3825 20.1103 31.7069 20.1103 -9.57795 GPRESSAVG: 1215000 -8.3041 -23.2952 30.6797 -25.3896 3.02568 20.2237 32.8402 20.7258 -8.26191 TIMING: 1215000 CPU: 3851.54, 0.00320232/step Wall: 3851.54, 0.00320232/step, 3.36689 hours remaining, 237.855469 MB of memory in use. ENERGY: 1215000 3916.1149 20498.5399 14357.6591 274.9509 -202949.0666 2120.4429 0.0000 0.0000 52392.6058 -109388.7530 301.1010 -161781.3588 -109017.0666 299.2485 -161.5214 -124.5027 760682.0976 -4.6750 -4.5134 PRESSURE: 1215200 73.8844 144.38 145.15 144.38 -126.241 180.583 145.15 180.583 106.777 GPRESSURE: 1215200 1.20658 159.138 82.0635 17.9468 -62.4015 182.105 40.3457 122.06 204.075 PRESSAVG: 1215200 -10.4302 -49.9215 -9.0424 -49.9215 11.8996 21.5107 -9.04241 21.5107 2.4249 GPRESSAVG: 1215200 -12.7333 -49.1675 -7.69801 -50.5194 13.6037 22.1302 -11.3228 20.0398 3.50062 TIMING: 1215200 CPU: 3852.18, 0.00320274/step Wall: 3852.18, 0.00320274/step, 3.36715 hours remaining, 237.855469 MB of memory in use. ENERGY: 1215200 4044.0353 20617.4368 14406.0690 247.4269 -203118.8417 2496.1808 0.0000 0.0000 51877.2674 -109430.4257 298.1394 -161307.6931 -109076.2016 299.3088 18.1400 47.6268 759797.5329 1.2981 1.4570 PRESSURE: 1215400 57.7715 -83.3619 38.7408 -83.361 -22.7837 60.6584 38.7406 60.6591 47.5784 GPRESSURE: 1215400 195.011 -21.3199 5.91873 -94.2585 -22.9921 85.8659 -12.5483 -165.252 1.13742 PRESSAVG: 1215400 8.73688 6.3378 48.7201 6.33779 -23.6203 5.52832 48.7201 5.52833 19.2555 GPRESSAVG: 1215400 11.9842 6.13663 46.6028 7.75256 -26.1543 3.7989 51.4926 6.03112 18.0535 TIMING: 1215400 CPU: 3852.83, 0.00321349/step Wall: 3852.83, 0.00321349/step, 3.37827 hours remaining, 237.855469 MB of memory in use. ENERGY: 1215400 3934.3761 20540.1444 14359.9683 245.0117 -203251.6313 2684.6568 0.0000 0.0000 52065.8698 -109421.6044 299.2233 -161487.4742 -109065.0854 299.5984 27.5221 57.7189 760464.3485 1.4574 1.2945 PRESSURE: 1215600 -159.275 69.5192 98.5422 69.5192 -186.969 -112.986 98.5426 -112.987 -257.119 GPRESSURE: 1215600 -77.5741 107.523 98.2805 9.60851 -136.523 -36.717 124.19 2.25811 -312.428 PRESSAVG: 1215600 -7.69439 30.3185 -16.9645 30.3185 37.2496 -4.01398 -16.9644 -4.01403 5.9689 GPRESSAVG: 1215600 -8.89424 27.1842 -15.7054 31.0347 37.9663 -2.36947 -18.599 -3.16834 5.70867 TIMING: 1215600 CPU: 3853.47, 0.00321915/step Wall: 3853.47, 0.00321915/step, 3.38404 hours remaining, 237.855469 MB of memory in use. ENERGY: 1215600 3961.6133 20413.6609 14400.1687 239.2669 -203322.6216 2717.2282 0.0000 0.0000 52061.9708 -109528.7128 299.2009 -161590.6836 -109161.7890 299.5339 -201.1211 -175.5085 761148.7227 11.8414 11.5936 PRESSURE: 1215800 268.406 -128.903 50.5525 -128.904 -116.434 -138.63 50.5521 -138.63 37.6159 GPRESSURE: 1215800 280.491 -132.302 62.1106 -103.14 -141.789 -130.585 45.5262 -257.63 137.746 PRESSAVG: 1215800 -11.09 43.5402 27.1241 43.5402 45.4679 29.6602 27.1241 29.6601 -1.69209 GPRESSAVG: 1215800 -10.6788 45.2164 28.0131 43.9375 44.2757 29.1574 28.0901 29.7091 -0.429007 TIMING: 1215800 CPU: 3854.11, 0.00319389/step Wall: 3854.11, 0.00319389/step, 3.35732 hours remaining, 237.855469 MB of memory in use. ENERGY: 1215800 3988.9647 20613.1209 14430.0862 246.2153 -203386.4978 2502.4044 0.0000 0.0000 52234.8963 -109370.8098 300.1947 -161605.7062 -109008.8110 299.5346 63.1959 92.1494 759681.8734 10.8953 11.0560 PRESSURE: 1216000 -411.716 -126.678 59.4848 -126.679 -278.885 68.7582 59.4846 68.7568 -16.7885 GPRESSURE: 1216000 -354.177 -100.239 135.923 -24.8411 -192.368 48.0237 50.9417 13.1941 -80.9718 PRESSAVG: 1216000 -2.02774 -7.81984 12.1438 -7.81981 -70.1507 -45.2042 12.1438 -45.2043 -7.20668 GPRESSAVG: 1216000 -1.54478 -6.46674 11.657 -10.3238 -68.7954 -45.9772 13.3884 -47.4721 -8.81761 TIMING: 1216000 CPU: 3854.75, 0.00318106/step Wall: 3854.75, 0.00318106/step, 3.34364 hours remaining, 237.855469 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: 1216000 3993.4824 20356.6917 14357.6255 233.1576 -202693.3756 2012.0965 0.0000 0.0000 52267.7910 -109472.5308 300.3837 -161740.3218 -109099.3075 299.9795 -235.7966 -209.1723 760966.4522 -26.4617 -26.3859 PRESSURE: 1216200 -522.702 -20.4994 -247.218 -20.4984 -170.878 -56.3603 -247.217 -56.3606 -142.346 GPRESSURE: 1216200 -413.978 -40.6301 -223.931 121.896 -200.501 12.6933 -266.051 -171.592 -139.374 PRESSAVG: 1216200 -33.3107 -9.60417 55.0753 -9.60421 15.5568 -37.8197 55.0753 -37.8198 -0.991668 GPRESSAVG: 1216200 -33.4707 -11.3685 54.3657 -7.2335 15.2979 -36.5251 54.2054 -35.932 -0.292883 TIMING: 1216200 CPU: 3855.39, 0.00322519/step Wall: 3855.39, 0.00322519/step, 3.38985 hours remaining, 237.855469 MB of memory in use. ENERGY: 1216200 3982.6054 20498.0481 14312.9283 265.2056 -203082.4059 2401.0703 0.0000 0.0000 52049.7616 -109572.7865 299.1307 -161622.5481 -109202.8780 299.3871 -278.6420 -251.2843 761522.4495 -6.2485 -6.1552 LDB: ============= START OF LOAD BALANCING ============== 3867.85 LDB: ============== END OF LOAD BALANCING =============== 3867.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3867.85 LDB: ============= START OF LOAD BALANCING ============== 3868.17 LDB: Largest compute 7060 load 0.037004 is 19.0% of average load 0.195100 LDB: Average compute 0.004415 is 2.3% of average load 0.195100 LDB: TIME 3868.17 LOAD: AVG 0.1951 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.883 MB LDB: TIME 3868.17 LOAD: AVG 0.1951 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.953 MB LDB: TIME 3868.17 LOAD: AVG 0.1951 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.953 MB LDB: ============== END OF LOAD BALANCING =============== 3868.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868.18 PRESSURE: 1216400 73.0288 -146.767 42.6857 -146.768 6.56947 59.1187 42.6855 59.119 309.406 GPRESSURE: 1216400 189.564 -128.127 26.6516 -119.436 0.259212 38.9011 115.873 119.88 287.542 PRESSAVG: 1216400 7.4328 42.94 -2.84026 42.9399 51.2969 16.4845 -2.84021 16.4845 16.8124 GPRESSAVG: 1216400 7.61002 45.0421 -3.35619 40.4794 50.5598 15.9652 -3.16079 15.3852 17.4967 TIMING: 1216400 CPU: 3856.04, 0.00326687/step Wall: 3856.04, 0.00326687/step, 3.43348 hours remaining, 238.171875 MB of memory in use. ENERGY: 1216400 3930.2821 20709.0064 14308.5239 227.8905 -203531.7078 2550.2354 0.0000 0.0000 52174.4952 -109631.2743 299.8475 -161805.7695 -109273.5358 298.8049 129.6682 159.1219 759392.0301 25.1807 25.2222 PRESSURE: 1216600 15.3691 20.3994 22.5366 20.4 -72.1845 44.7868 22.5362 44.7871 -263.32 GPRESSURE: 1216600 -111.084 20.7452 12.4412 -26.4833 11.823 67.0917 -30.1979 -34.1796 -108.405 PRESSAVG: 1216600 -49.7378 -63.8452 13.3163 -63.8452 75.2629 85.6105 13.3163 85.6105 -2.99349 GPRESSAVG: 1216600 -49.0616 -63.4592 14.3176 -63.6584 75.3874 86.2914 11.2909 85.862 -3.47233 TIMING: 1216600 CPU: 3856.68, 0.00317643/step Wall: 3856.68, 0.00317643/step, 3.33826 hours remaining, 238.375000 MB of memory in use. ENERGY: 1216600 4037.6233 20627.0026 14398.0247 251.4816 -203327.6312 2401.5810 0.0000 0.0000 51951.9998 -109659.9181 298.5689 -161611.9179 -109293.6197 299.1951 -106.7119 -69.2221 759268.7730 7.5105 7.6178 PRESSURE: 1216800 -375.101 196.964 51.0213 196.965 -125.476 20.5644 51.0213 20.5647 -586.165 GPRESSURE: 1216800 -299.887 58.7501 160.439 180.618 -126.343 -47.2355 119.453 -4.50103 -572.135 PRESSAVG: 1216800 -29.7834 -61.0475 -14.7374 -61.0475 43.6662 -21.8412 -14.7373 -21.8412 4.78236 GPRESSAVG: 1216800 -30.6647 -64.7489 -14.4312 -59.2888 44.8204 -23.3857 -12.0726 -21.2071 4.13234 TIMING: 1216800 CPU: 3857.32, 0.00319483/step Wall: 3857.32, 0.00319483/step, 3.35741 hours remaining, 238.375000 MB of memory in use. ENERGY: 1216800 3979.2510 20441.9979 14375.8987 241.0140 -203262.5036 2468.8781 0.0000 0.0000 51985.5837 -109769.8803 298.7619 -161755.4639 -109407.1929 299.0061 -362.2472 -332.7880 758774.0030 6.2217 6.0960 PRESSURE: 1217000 -142.62 141.942 20.1228 141.942 103.282 84.4698 20.1236 84.469 181.4 GPRESSURE: 1217000 -4.37727 128.582 24.6684 84.9258 84.4499 16.2967 -50.1328 122.376 173.414 PRESSAVG: 1217000 -14.2715 -5.78825 2.27173 -5.78826 34.3682 14.7533 2.27173 14.7534 12.8864 GPRESSAVG: 1217000 -13.9821 -5.14403 0.876477 -6.36068 34.5495 14.85 0.699441 14.6362 12.9986 TIMING: 1217000 CPU: 3857.96, 0.00319482/step Wall: 3857.96, 0.00319482/step, 3.35722 hours remaining, 238.375000 MB of memory in use. ENERGY: 1217000 4009.1484 20552.9119 14353.6576 239.0922 -203588.9008 2650.5128 0.0000 0.0000 52121.8144 -109661.7635 299.5448 -161783.5779 -109291.0982 298.7662 47.3538 84.4954 759660.6228 10.9944 11.1887 PRESSURE: 1217200 -186.283 -369.924 -186.624 -369.924 -125.173 166.146 -186.623 166.146 -382.88 GPRESSURE: 1217200 -196.166 -175.366 -133.294 -265.646 -73.5438 127.179 -148.35 51.077 -348.501 PRESSAVG: 1217200 -2.15657 -34.6814 -13.9112 -34.6813 -1.50069 29.6435 -13.9112 29.6435 -2.28488 GPRESSAVG: 1217200 0.421089 -33.705 -15.0556 -34.5793 -3.45525 30.5415 -12.5018 29.3878 -3.19155 TIMING: 1217200 CPU: 3858.59, 0.0031758/step Wall: 3858.59, 0.0031758/step, 3.33706 hours remaining, 238.375000 MB of memory in use. ENERGY: 1217200 4003.2998 20517.6871 14398.9951 237.7034 -203117.2931 2271.8874 0.0000 0.0000 51972.9652 -109714.7553 298.6893 -161687.7204 -109339.7470 298.8091 -231.4452 -206.0703 761814.0160 -1.9807 -2.0752 PRESSURE: 1217400 73.8195 23.5844 29.8289 23.5847 -177.057 -93.7801 29.8298 -93.7805 -217.29 GPRESSURE: 1217400 76.9591 47.5631 -28.5061 28.5494 -86.8353 -0.47154 83.1157 -76.7041 -241.541 PRESSAVG: 1217400 -56.8146 -44.7606 8.30429 -44.7606 4.77863 52.2399 8.30426 52.2399 2.06934 GPRESSAVG: 1217400 -60.4004 -43.9391 10.5383 -46.5364 6.83761 53.8911 8.1949 51.2676 3.76008 TIMING: 1217400 CPU: 3859.23, 0.0031933/step Wall: 3859.23, 0.0031933/step, 3.35527 hours remaining, 238.375000 MB of memory in use. ENERGY: 1217400 4025.7732 20550.1660 14423.5007 237.5463 -203116.7038 2298.8900 0.0000 0.0000 52149.5574 -109431.2703 299.7042 -161580.8276 -109065.8445 299.1907 -106.8423 -83.8056 762287.8393 -16.6556 -16.6009 PRESSURE: 1217600 -221.974 265.886 173.704 265.886 -222.103 -287.181 173.704 -287.182 -211.091 GPRESSURE: 1217600 -173.933 266.599 211.798 186.921 -205.764 -271.785 151.184 -139.798 -189.867 PRESSAVG: 1217600 22.9951 -58.6964 -27.2467 -58.6965 7.0841 46.7418 -27.2468 46.7419 16.5437 GPRESSAVG: 1217600 24.7896 -59.6713 -27.6458 -56.2511 5.78563 44.1444 -26.3696 48.2869 16.1825 TIMING: 1217600 CPU: 3859.87, 0.00319772/step Wall: 3859.87, 0.00319772/step, 3.35974 hours remaining, 238.375000 MB of memory in use. ENERGY: 1217600 4048.6869 20522.3787 14438.6205 259.6126 -203124.8622 2569.7680 0.0000 0.0000 51822.7184 -109463.0772 297.8259 -161285.7956 -109104.6698 299.4802 -218.3890 -189.8544 760065.6004 15.5410 15.5859 PRESSURE: 1217800 171.879 -51.7247 331.075 -51.7251 -40.9554 137.557 331.074 137.557 402.737 GPRESSURE: 1217800 152.024 0.893041 387.426 -67.135 94.3164 180.911 250.46 62.1869 389.08 PRESSAVG: 1217800 -40.4053 -20.4931 -1.00962 -20.4931 20.9606 28.8265 -1.00955 28.8264 9.4555 GPRESSAVG: 1217800 -40.1326 -18.403 -1.731 -19.9864 19.609 29.4349 -2.48203 28.4417 10.2342 TIMING: 1217800 CPU: 3860.51, 0.0031828/step Wall: 3860.51, 0.0031828/step, 3.34389 hours remaining, 238.375000 MB of memory in use. ENERGY: 1217800 3967.3415 20474.4659 14431.3305 269.3712 -202834.4928 2224.8524 0.0000 0.0000 52000.3677 -109466.7636 298.8468 -161467.1313 -109095.7312 298.6871 177.8866 211.8069 761115.0252 -3.3297 -3.4298 PRESSURE: 1218000 -642.184 -173.137 -177.253 -173.138 51.879 246.602 -177.253 246.602 -240.684 GPRESSURE: 1218000 -521.282 -147.466 -158.476 -83.1117 54.0328 213.598 -109.688 175.281 -293.402 PRESSAVG: 1218000 -75.4715 -72.6278 -30.1735 -72.6278 27.3094 37.2301 -30.1734 37.2301 14.6942 GPRESSAVG: 1218000 -75.2579 -72.8649 -30.1075 -72.8872 28.6845 36.8723 -27.6228 37.1827 13.1975 TIMING: 1218000 CPU: 3861.15, 0.0032005/step Wall: 3861.15, 0.0032005/step, 3.3623 hours remaining, 238.375000 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: 1218000 3984.1488 20533.8236 14440.8947 252.6844 -202769.6662 2377.8992 0.0000 0.0000 51788.1005 -109392.1150 297.6269 -161180.2155 -109025.4575 298.9450 -276.9963 -253.5503 763374.2267 -11.1560 -11.1253 PRESSURE: 1218200 3.63269 197.467 59.4686 197.466 29.9823 -42.087 59.4688 -42.0867 -473.448 GPRESSURE: 1218200 20.8914 199.226 -32.5394 228.024 103.431 -16.0765 82.3991 -95.9747 -479.151 PRESSAVG: 1218200 -58.6322 -1.09507 14.592 -1.09507 59.512 22.3239 14.592 22.3239 -3.97817 GPRESSAVG: 1218200 -59.8767 -0.521833 12.7149 -0.260563 60.6316 23.5654 11.362 20.4669 -3.55491 TIMING: 1218200 CPU: 3861.78, 0.00317462/step Wall: 3861.78, 0.00317462/step, 3.33494 hours remaining, 238.375000 MB of memory in use. ENERGY: 1218200 4013.0243 20401.6878 14402.7872 250.9310 -202796.1287 2445.8059 0.0000 0.0000 52018.1741 -109263.7185 298.9492 -161281.8926 -108903.5830 299.0728 -146.6109 -118.2762 761129.9607 -1.0328 -0.9333 PRESSURE: 1218400 63.196 -145.25 -89.0741 -145.249 314.984 -63.0079 -89.0748 -63.0087 -143.215 GPRESSURE: 1218400 86.4427 -79.8669 -33.6728 -45.1956 294.065 -55.846 -80.6408 -112.755 -60.0661 PRESSAVG: 1218400 5.563 47.8513 6.30333 47.8513 61.9514 46.3685 6.30335 46.3685 -10.2037 GPRESSAVG: 1218400 6.21166 46.8333 8.58578 47.173 62.0363 43.5507 6.08237 50.6106 -11.1274 TIMING: 1218400 CPU: 3862.41, 0.00315442/step Wall: 3862.41, 0.00315442/step, 3.31354 hours remaining, 238.375000 MB of memory in use. ENERGY: 1218400 4060.9477 20483.3851 14470.6288 242.1835 -203399.9449 2797.2408 0.0000 0.0000 51954.1247 -109391.4343 298.5811 -161345.5590 -109040.5526 299.4071 78.3216 106.8139 762490.6249 19.1036 19.0402 PRESSURE: 1218600 101.704 61.3913 -69.6082 61.3908 190.34 -76.1841 -69.607 -76.1827 326.802 GPRESSURE: 1218600 126.146 22.3811 -114.11 -21.1845 190.651 9.32058 -146.341 -6.43009 398.231 PRESSAVG: 1218600 -23.1977 0.995399 -45.4819 0.9954 25.5478 37.7656 -45.4819 37.7656 6.27343 GPRESSAVG: 1218600 -22.7287 1.40161 -46.0606 -0.420772 23.9471 41.5494 -41.6819 35.6156 7.49531 TIMING: 1218600 CPU: 3863.05, 0.00320242/step Wall: 3863.05, 0.00320242/step, 3.36378 hours remaining, 238.375000 MB of memory in use. ENERGY: 1218600 3916.8550 20416.6846 14471.2442 263.1630 -202966.1910 2502.0853 0.0000 0.0000 52079.0808 -109317.0782 299.2992 -161396.1589 -108947.4469 299.2039 206.2818 238.3427 762795.9422 2.8745 2.9045 PRESSURE: 1218800 218.548 -58.686 -76.7133 -58.6865 -125.622 84.038 -76.7127 84.0391 373.977 GPRESSURE: 1218800 238.547 -131.509 -86.3478 -61.7498 2.40927 -28.455 -116.244 203.541 306.011 PRESSAVG: 1218800 -33.4559 -11.8891 -2.25747 -11.8891 60.8861 -21.0563 -2.25745 -21.0562 -24.5064 GPRESSAVG: 1218800 -34.0147 -11.1448 -2.38164 -14.4051 61.4822 -21.2003 -3.9254 -21.2968 -24.6865 TIMING: 1218800 CPU: 3863.69, 0.00320267/step Wall: 3863.69, 0.00320267/step, 3.36387 hours remaining, 238.375000 MB of memory in use. ENERGY: 1218800 3902.2197 20505.3005 14392.9240 254.0373 -203329.0300 2732.7003 0.0000 0.0000 52236.1209 -109305.7272 300.2017 -161541.8481 -108953.4338 299.1233 155.6342 182.3223 759454.6038 0.9746 0.9270 PRESSURE: 1219000 213.871 -189.469 1.10453 -189.469 209.451 139.237 1.10431 139.238 272.598 GPRESSURE: 1219000 294.264 -70.7119 -31.2794 -167.468 175.61 139.384 -19.5555 76.9216 289.953 PRESSAVG: 1219000 -19.8698 -80.3486 14.2764 -80.3485 33.4884 -16.5002 14.2764 -16.5003 34.7431 GPRESSAVG: 1219000 -19.1007 -80.2421 14.1236 -76.8307 34.38 -19.2988 13.3812 -16.1571 32.9432 TIMING: 1219000 CPU: 3864.33, 0.0032032/step Wall: 3864.33, 0.0032032/step, 3.36425 hours remaining, 238.375000 MB of memory in use. ENERGY: 1219000 3881.7490 20433.0684 14476.2565 253.4558 -203669.9307 2924.7516 0.0000 0.0000 52277.5422 -109423.1072 300.4398 -161700.6494 -109044.8951 299.1681 231.9735 253.2756 762192.2493 16.1206 16.0741 PRESSURE: 1219200 -19.8407 227.93 26.0823 227.93 -32.0012 -134.656 26.0822 -134.656 26.1751 GPRESSURE: 1219200 68.7107 209.732 98.7503 137.014 -18.6507 -235.293 85.0554 -0.709562 -2.77381 PRESSAVG: 1219200 1.14821 -18.537 -4.76228 -18.5369 2.76719 6.37753 -4.76236 6.37749 4.41773 GPRESSAVG: 1219200 0.391535 -18.5536 -5.27565 -19.4425 1.98913 8.45819 -3.38905 5.36339 5.35764 TIMING: 1219200 CPU: 3864.97, 0.00318746/step Wall: 3864.97, 0.00318746/step, 3.34754 hours remaining, 238.375000 MB of memory in use. ENERGY: 1219200 3976.6804 20554.4465 14367.9857 267.9667 -203235.9456 2636.0259 0.0000 0.0000 52197.3739 -109235.4665 299.9790 -161432.8404 -108876.0019 299.0854 -8.5556 15.7621 761127.3152 2.7777 2.5794 PRESSURE: 1219400 -105.882 -124.05 -52.706 -124.051 -2.73518 -41.7455 -52.7064 -41.746 -3.1722 GPRESSURE: 1219400 -48.1035 -142.28 -65.7049 -200.083 -76.004 33.1808 -12.8638 51.5871 101.914 PRESSAVG: 1219400 1.54619 -57.3914 -3.45481 -57.3913 -23.8901 -4.52915 -3.45486 -4.52911 -1.65033 GPRESSAVG: 1219400 1.87692 -58.9082 -5.00203 -58.4239 -23.9538 -5.79742 -4.82621 -1.29597 -1.85358 TIMING: 1219400 CPU: 3865.61, 0.00318941/step Wall: 3865.61, 0.00318941/step, 3.34941 hours remaining, 238.375000 MB of memory in use. ENERGY: 1219400 3894.0325 20507.1536 14482.6950 256.1383 -202891.0599 2557.7868 0.0000 0.0000 52184.2232 -109009.0305 299.9034 -161193.2537 -108645.5845 299.3795 -37.2631 -7.3979 764187.0786 -7.9981 -7.9768 PRESSURE: 1219600 -60.9335 -34.4853 125.875 -34.4852 -214.844 -68.8047 125.874 -68.8046 -81.2602 GPRESSURE: 1219600 22.2175 -53.3791 102.776 -24.1041 -189.21 -60.4677 3.32989 -130.374 -120.383 PRESSAVG: 1219600 -4.37423 -69.3871 -41.189 -69.387 27.9792 -44.1425 -41.189 -44.1424 27.1522 GPRESSAVG: 1219600 -5.30558 -69.7436 -40.3122 -69.2807 27.3595 -42.2602 -42.0355 -47.4334 28.066 TIMING: 1219600 CPU: 3866.25, 0.00319446/step Wall: 3866.25, 0.00319446/step, 3.35454 hours remaining, 238.375000 MB of memory in use. ENERGY: 1219600 3946.6665 20700.7656 14526.5003 248.8775 -202958.8410 2372.6047 0.0000 0.0000 52118.3034 -109045.1230 299.5246 -161163.4264 -108696.0624 299.7452 -119.0124 -95.7921 764182.3748 16.9191 16.7066 PRESSURE: 1219800 -397.24 -94.9412 8.06284 -94.9409 2.42766 221.476 8.06333 221.475 -129.368 GPRESSURE: 1219800 -273.724 -86.3802 -0.984279 -70.3889 62.59 208.738 -49.4897 182.538 -244.232 PRESSAVG: 1219800 15.166 -14.8739 -18.716 -14.874 9.86585 26.4323 -18.716 26.4323 27.0392 GPRESSAVG: 1219800 15.3501 -14.0115 -17.5637 -13.7436 10.2334 25.8855 -19.6942 28.4195 26.8416 TIMING: 1219800 CPU: 3866.89, 0.00320485/step Wall: 3866.89, 0.00320485/step, 3.36527 hours remaining, 238.375000 MB of memory in use. ENERGY: 1219800 4017.2533 20556.2441 14452.9568 238.5795 -202723.6129 2380.2540 0.0000 0.0000 52159.6441 -108918.6811 299.7622 -161078.3253 -108561.9643 300.0599 -174.7267 -151.7884 762578.0475 17.3570 17.4750 PRESSURE: 1220000 13.8799 102.772 7.09866 102.773 -15.0511 -150.474 7.09793 -150.473 -377.355 GPRESSURE: 1220000 72.0224 104.017 7.50128 26.75 34.9518 -100.599 93.9993 -149.151 -414.951 PRESSAVG: 1220000 -61.4048 -10.8886 -28.0565 -10.8886 46.643 -24.0591 -28.0565 -24.059 1.48682 GPRESSAVG: 1220000 -60.0988 -11.1214 -28.3892 -10.6085 45.8111 -22.6802 -25.9875 -24.6338 0.745044 TIMING: 1220000 CPU: 3867.54, 0.00323775/step Wall: 3867.54, 0.00323775/step, 3.39964 hours remaining, 238.375000 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: 1220000 3956.1452 20404.0077 14471.6753 258.1729 -202591.4148 2587.2538 0.0000 0.0000 52370.9611 -108543.1989 300.9766 -160914.1600 -108181.5922 300.0479 -126.1754 -102.6588 763380.4363 -4.4250 -4.5142 PRESSURE: 1220200 446.157 -57.532 -64.0622 -57.5318 216.644 -56.7743 -64.0619 -56.7729 102.109 GPRESSURE: 1220200 373.212 -42.7613 -23.574 -96.4941 331.984 -78.0437 -36.5903 39.6441 139.383 PRESSAVG: 1220200 -33.1486 -21.8306 40.8057 -21.8305 -24.4554 26.8487 40.8057 26.8486 6.75086 GPRESSAVG: 1220200 -33.3545 -21.4107 42.0088 -20.813 -24.4386 25.0486 40.2497 27.1876 7.38906 TIMING: 1220200 CPU: 3868.18, 0.00322251/step Wall: 3868.18, 0.00322251/step, 3.38345 hours remaining, 238.375000 MB of memory in use. ENERGY: 1220200 3942.9590 20421.5928 14442.3369 229.5503 -203039.5382 2997.8054 0.0000 0.0000 52344.1174 -108661.1766 300.8224 -161005.2939 -108293.3108 300.4701 254.9697 281.5264 762874.1750 -16.9511 -16.8013 LDB: ============= START OF LOAD BALANCING ============== 3880.64 LDB: ============== END OF LOAD BALANCING =============== 3880.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3880.64 LDB: ============= START OF LOAD BALANCING ============== 3880.96 LDB: Largest compute 7033 load 0.035959 is 18.4% of average load 0.194990 LDB: Average compute 0.004432 is 2.3% of average load 0.194990 LDB: TIME 3880.96 LOAD: AVG 0.19499 MAX 0.214507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.832 MB LDB: TIME 3880.96 LOAD: AVG 0.19499 MAX 0.214507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.836 MB LDB: TIME 3880.96 LOAD: AVG 0.19499 MAX 0.214507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.836 MB LDB: ============== END OF LOAD BALANCING =============== 3880.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3880.97 PRESSURE: 1220400 -399.911 8.43836 100.125 8.43924 181.003 323.939 100.125 323.939 270.005 GPRESSURE: 1220400 -254.352 -68.5182 157.308 -145.42 140.327 384.198 -88.2783 244.259 260.262 PRESSAVG: 1220400 -7.39703 58.9904 1.95089 58.9905 2.64064 34.9744 1.95086 34.9743 1.3957 GPRESSAVG: 1220400 -6.70589 58.1704 1.68919 58.332 2.35191 36.9987 1.1515 33.6447 1.1479 TIMING: 1220400 CPU: 3868.83, 0.00325925/step Wall: 3868.83, 0.00325925/step, 3.42185 hours remaining, 238.113281 MB of memory in use. ENERGY: 1220400 3984.7340 20394.0221 14472.6118 244.0451 -202960.9937 2792.3918 0.0000 0.0000 52454.5740 -108618.6148 301.4572 -161073.1888 -108249.8150 300.3101 17.0324 48.7458 762431.3646 -1.1202 -1.0687 PRESSURE: 1220600 68.6156 -78.0661 31.7302 -78.0653 -18.6669 -100.296 31.73 -100.296 35.643 GPRESSURE: 1220600 101.481 -21.2616 50.2567 -29.3979 -11.9187 -107.782 94.6882 -78.9633 99.6755 PRESSAVG: 1220600 -12.6416 -12.3043 12.2825 -12.3042 53.3359 -3.34053 12.2825 -3.34054 2.94062 GPRESSAVG: 1220600 -13.9056 -13.7144 12.8278 -10.0681 54.0921 -5.69829 13.3205 -2.48248 4.09713 TIMING: 1220600 CPU: 3869.48, 0.00321104/step Wall: 3869.48, 0.00321104/step, 3.37105 hours remaining, 238.312500 MB of memory in use. ENERGY: 1220600 3964.4258 20555.6754 14425.9866 235.9007 -202769.5419 2625.3394 0.0000 0.0000 52385.7621 -108576.4519 301.0617 -160962.2140 -108218.9317 300.5729 28.5305 63.0793 761248.5075 14.5450 14.7612 PRESSURE: 1220800 -63.6466 18.2536 -25.369 18.2534 -378.39 -291.46 -25.3671 -291.46 -39.8576 GPRESSURE: 1220800 -38.5639 -32.3575 19.0291 -20.735 -273.161 -382.337 -6.44147 -220.974 -82.3712 PRESSAVG: 1220800 43.9666 -18.9319 15.8696 -18.9319 -13.4574 -24.8918 15.8696 -24.8917 12.5648 GPRESSAVG: 1220800 44.1636 -16.4419 15.3923 -20.2819 -12.2825 -24.2952 13.3928 -24.543 11.2764 TIMING: 1220800 CPU: 3870.13, 0.00324797/step Wall: 3870.13, 0.00324797/step, 3.40965 hours remaining, 238.312500 MB of memory in use. ENERGY: 1220800 4070.3917 20647.2252 14413.1525 255.4492 -202418.4468 2026.6376 0.0000 0.0000 52267.8001 -108737.7906 300.3838 -161005.5907 -108376.4042 300.5754 -160.6313 -131.3655 761710.6283 14.3580 14.3858 PRESSURE: 1221000 207.869 -36.0885 -151.391 -36.0886 -76.0157 309.85 -151.391 309.849 253.504 GPRESSURE: 1221000 205.212 -137.174 -199.822 -10.4974 -20.9966 293.697 -159.099 314.061 279.043 PRESSAVG: 1221000 2.94951 8.79321 6.631 8.79327 -9.31861 -5.65414 6.63094 -5.65418 20.2442 GPRESSAVG: 1221000 3.05688 7.86459 6.62911 7.13891 -10.1618 -5.85352 8.27367 -2.1993 21.4616 TIMING: 1221000 CPU: 3870.77, 0.00323061/step Wall: 3870.77, 0.00323061/step, 3.39124 hours remaining, 238.312500 MB of memory in use. ENERGY: 1221000 3958.5020 20586.2355 14449.1431 252.3582 -202834.1019 2626.9721 0.0000 0.0000 52056.5090 -108904.3820 299.1695 -160960.8910 -108546.1623 299.9108 128.4524 154.4196 763109.1898 4.6250 4.7855 PRESSURE: 1221200 -148.41 56.9416 -273.681 56.9418 225.101 7.1776 -273.681 7.17796 88.5213 GPRESSURE: 1221200 -101.452 -47.1794 -299.983 37.3734 197.684 10.1846 -69.8577 143.694 157.802 PRESSAVG: 1221200 31.2005 -36.5989 -29.9299 -36.5989 -33.7131 -4.67709 -29.9299 -4.67706 19.7762 GPRESSAVG: 1221200 32.0615 -37.0335 -29.9336 -36.0044 -35.455 -3.34167 -28.1809 -7.47269 20.1617 TIMING: 1221200 CPU: 3871.42, 0.00322122/step Wall: 3871.42, 0.00322122/step, 3.38121 hours remaining, 238.312500 MB of memory in use. ENERGY: 1221200 3974.2596 20594.5685 14413.9274 277.5516 -202877.5995 2579.0020 0.0000 0.0000 52037.9396 -109000.3508 299.0628 -161038.2904 -108644.0799 299.7918 55.0708 84.6779 764064.2033 5.7545 5.5894 PRESSURE: 1221400 216.577 -405.1 -132.923 -405.1 188.334 -73.9645 -132.922 -73.9632 208.474 GPRESSURE: 1221400 329.756 -307.886 -22.9456 -315.46 170.544 -54.2651 -216.495 17.1307 216.56 PRESSAVG: 1221400 11.6733 -6.44751 -30.1205 -6.44747 -11.9309 18.2888 -30.1206 18.2888 0.357153 GPRESSAVG: 1221400 11.6142 -4.1177 -30.0879 -7.81259 -11.2596 17.1038 -31.8091 19.2356 0.00667556 TIMING: 1221400 CPU: 3872.06, 0.00322536/step Wall: 3872.06, 0.00322536/step, 3.38537 hours remaining, 238.312500 MB of memory in use. ENERGY: 1221400 4023.6777 20409.8358 14445.0621 232.9035 -202869.4243 2684.6751 0.0000 0.0000 52114.8696 -108958.4007 299.5049 -161073.2702 -108600.6344 299.8809 204.4613 238.9537 763280.3808 0.0332 0.1204 PRESSURE: 1221600 69.5517 -110.404 30.8598 -110.404 19.883 -256.739 30.86 -256.74 297.481 GPRESSURE: 1221600 140.092 -167.759 57.6757 -34.7784 17.6597 -276.039 63.8318 -206.567 301.254 PRESSAVG: 1221600 62.3329 -70.0288 61.1243 -70.0288 -51.8206 -33.3864 61.1242 -33.3864 -5.64832 GPRESSAVG: 1221600 62.4596 -71.3208 61.0033 -67.5391 -51.8277 -32.2493 62.111 -34.8998 -5.62904 TIMING: 1221600 CPU: 3872.7, 0.00320541/step Wall: 3872.7, 0.00320541/step, 3.36425 hours remaining, 238.312500 MB of memory in use. ENERGY: 1221600 3969.2838 20493.6067 14391.0718 237.6471 -203069.2214 2716.5107 0.0000 0.0000 52284.0114 -108977.0898 300.4769 -161261.1013 -108616.1784 299.9072 128.9719 153.0019 762809.4768 1.6213 1.6676 PRESSURE: 1221800 525.157 -8.56545 -127.924 -8.56497 -29.2844 139.423 -127.924 139.422 126.314 GPRESSURE: 1221800 580.055 -34.7401 -190.126 76.131 -22.6429 101.586 -35.8473 105.909 168.307 PRESSAVG: 1221800 71.6197 -33.6084 46.1528 -33.6084 -75.7565 -24.5662 46.1528 -24.5661 2.86616 GPRESSAVG: 1221800 72.1782 -34.2693 46.3757 -32.4169 -75.2248 -25.7855 43.1312 -23.7177 2.06758 TIMING: 1221800 CPU: 3873.35, 0.00322948/step Wall: 3873.35, 0.00322948/step, 3.38934 hours remaining, 238.312500 MB of memory in use. ENERGY: 1221800 3956.1111 20522.6593 14329.7639 253.1312 -202993.1620 2755.8017 0.0000 0.0000 51992.4677 -109183.2271 298.8014 -161175.6948 -108821.7270 299.6026 207.3955 241.9061 762240.5477 -0.4235 -0.3263 PRESSURE: 1222000 344.19 -9.98553 -38.6553 -9.98557 227.178 148.75 -38.6557 148.75 61.6534 GPRESSURE: 1222000 341.076 69.8001 -35.6988 -52.3288 295.774 127.097 -2.32436 27.6517 87.3867 PRESSAVG: 1222000 63.8209 -16.6618 -11.2978 -16.6617 -59.1299 0.354305 -11.2978 0.354273 4.96618 GPRESSAVG: 1222000 63.2332 -14.7188 -11.1817 -19.3365 -58.2366 3.04324 -8.5917 -0.628872 5.18563 TIMING: 1222000 CPU: 3874, 0.00324064/step Wall: 3874, 0.00324064/step, 3.40088 hours remaining, 238.312500 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: 1222000 4023.3543 20524.2068 14412.2436 259.8461 -203552.1473 3035.3351 0.0000 0.0000 52137.9163 -109159.2451 299.6373 -161297.1614 -108798.9700 299.5874 211.0073 241.4123 761338.7940 3.2191 3.3941 PRESSURE: 1222200 122.185 -105.54 127.727 -105.541 -287.355 77.6234 127.728 77.6235 -126.41 GPRESSURE: 1222200 113.815 -116.227 105.383 -91.732 -216.539 74.4118 186.558 79.3414 -105.896 PRESSAVG: 1222200 32.6445 0.528453 17.5294 0.52847 -19.805 -4.64137 17.5295 -4.64141 -19.3273 GPRESSAVG: 1222200 32.3092 -1.44665 15.9022 1.55981 -19.5451 -6.7422 19.2285 -2.50706 -18.9725 TIMING: 1222200 CPU: 3874.64, 0.00323125/step Wall: 3874.64, 0.00323125/step, 3.39083 hours remaining, 238.312500 MB of memory in use. ENERGY: 1222200 3987.5726 20497.9976 14430.2729 254.5722 -202671.5294 2234.8484 0.0000 0.0000 52136.4057 -109129.8599 299.6286 -161266.2657 -108765.3702 300.1632 -97.1932 -69.5401 761860.2123 -2.1626 -2.0695 PRESSURE: 1222400 -332.431 -108.563 -94.1491 -108.562 -312.663 -12.8254 -94.1481 -12.8254 -322.365 GPRESSURE: 1222400 -328.616 -24.7894 -10.4735 -18.2137 -332.764 -30.2941 -43.903 -58.6622 -215.503 PRESSAVG: 1222400 26.1031 2.76667 -29.2356 2.76667 -40.4955 -25.5727 -29.2356 -25.5728 10.7706 GPRESSAVG: 1222400 26.5588 2.80242 -27.9567 3.79903 -41.4007 -24.3501 -31.1095 -28.3335 11.133 TIMING: 1222400 CPU: 3875.29, 0.00322518/step Wall: 3875.29, 0.00322518/step, 3.38428 hours remaining, 238.312500 MB of memory in use. ENERGY: 1222400 4027.1139 20533.6393 14496.8733 247.2756 -202719.8881 2338.7646 0.0000 0.0000 52088.2413 -108987.9801 299.3518 -161076.2214 -108634.5467 299.7053 -322.4862 -292.2942 763884.7295 -1.2073 -1.2363 PRESSURE: 1222600 117.459 -238.14 -32.1382 -238.14 176.077 -28.6721 -32.1382 -28.6714 615.573 GPRESSURE: 1222600 217.648 -181.931 -57.0891 -161.065 186.341 -5.02275 -28.5636 12.05 608.719 PRESSAVG: 1222600 65.6015 -26.1877 -19.5344 -26.1878 -19.1229 -51.9852 -19.5344 -51.9853 14.3944 GPRESSAVG: 1222600 65.7776 -24.0673 -19.029 -30.0874 -18.7718 -53.4351 -18.8004 -51.3385 14.1031 TIMING: 1222600 CPU: 3875.93, 0.00321702/step Wall: 3875.93, 0.00321702/step, 3.37555 hours remaining, 238.312500 MB of memory in use. ENERGY: 1222600 4000.6561 20636.1329 14477.6407 259.2573 -202926.1358 2598.5415 0.0000 0.0000 52248.7414 -108705.1660 300.2742 -160953.9074 -108339.0553 300.2014 303.0363 337.5694 762171.4948 20.2910 20.3697 PRESSURE: 1222800 314.338 59.3321 80.4868 59.3331 77.4766 88.6187 80.4871 88.6193 -246.932 GPRESSURE: 1222800 274.459 113.879 45.6053 95.7104 184.787 150.665 217.075 137.885 -235.42 PRESSAVG: 1222800 57.4076 -71.0058 33.0557 -71.0058 -42.9673 -19.4369 33.0557 -19.4368 15.7814 GPRESSAVG: 1222800 57.2119 -73.0482 32.0226 -70.2455 -42.5387 -20.4419 32.8753 -18.1744 15.7805 TIMING: 1222800 CPU: 3876.59, 0.0032766/step Wall: 3876.59, 0.0032766/step, 3.43788 hours remaining, 238.312500 MB of memory in use. ENERGY: 1222800 3955.0794 20441.3397 14416.8956 237.2884 -202447.2164 2570.3601 0.0000 0.0000 52183.4114 -108642.8418 299.8988 -160826.2531 -108258.3748 300.7998 48.2941 74.6085 763904.6636 10.0739 10.1512 PRESSURE: 1223000 4.79219 -8.58942 224.25 -8.58918 -300.866 -10.5358 224.25 -10.5367 -137.134 GPRESSURE: 1223000 -13.315 30.56 284.725 3.12713 -236.792 -89.1632 164.217 -19.4874 -79.4236 PRESSAVG: 1223000 -44.8929 -15.8383 15.0649 -15.8383 5.09882 -44.1891 15.0649 -44.189 -5.20393 GPRESSAVG: 1223000 -45.0061 -15.7148 15.4047 -14.945 4.44907 -42.5335 13.9775 -44.0627 -4.62036 TIMING: 1223000 CPU: 3877.24, 0.00324608/step Wall: 3877.24, 0.00324608/step, 3.40568 hours remaining, 238.312500 MB of memory in use. ENERGY: 1223000 3937.0844 20623.6127 14465.1357 259.7001 -201982.0621 1974.5490 0.0000 0.0000 51905.0501 -108816.9302 298.2990 -160721.9802 -108450.9254 300.1313 -144.4027 -109.8437 761449.0616 -14.9993 -15.0591 PRESSURE: 1223200 115.329 -1.7447 -76.2618 -1.74305 106.67 -193.841 -76.2622 -193.841 15.7785 GPRESSURE: 1223200 167.568 92.8888 -67.4384 93.6021 190.173 -141.955 -112.914 -99.2311 -23.8319 PRESSAVG: 1223200 2.03636 -14.3265 11.8827 -14.3264 -36.6829 -21.4698 11.8826 -21.4697 -3.07718 GPRESSAVG: 1223200 1.54141 -14.2127 10.8437 -12.2304 -35.7014 -20.9708 12.6409 -23.3958 -3.10519 TIMING: 1223200 CPU: 3877.87, 0.00319457/step Wall: 3877.87, 0.00319457/step, 3.35146 hours remaining, 238.312500 MB of memory in use. ENERGY: 1223200 3975.7039 20612.0346 14451.9386 250.5219 -203323.1676 2812.5969 0.0000 0.0000 52419.6152 -108800.7564 301.2562 -161220.3716 -108451.4137 300.1653 79.2592 111.3033 760136.3135 -12.5746 -12.4217 PRESSURE: 1223400 -90.8915 -44.7639 145.515 -44.764 154.19 -84.2638 145.515 -84.2643 39.5481 GPRESSURE: 1223400 -9.23736 -93.3616 68.3599 -32.823 172.751 -209.229 252.791 108.025 30.8479 PRESSAVG: 1223400 -7.87809 -23.5662 -32.2841 -23.5662 22.991 -13.8322 -32.284 -13.8323 4.91671 GPRESSAVG: 1223400 -7.31529 -22.0437 -31.0888 -24.8711 24.0964 -12.3388 -34.1068 -12.7496 3.45522 TIMING: 1223400 CPU: 3878.52, 0.00321525/step Wall: 3878.52, 0.00321525/step, 3.37298 hours remaining, 238.312500 MB of memory in use. ENERGY: 1223400 4015.2832 20537.1349 14440.5382 243.8103 -202936.1052 2587.0487 0.0000 0.0000 52316.8971 -108795.3928 300.6659 -161112.2900 -108422.5549 300.4745 34.2823 64.7873 762031.0976 6.6765 6.7454 PRESSURE: 1223600 -217.483 -175.051 -28.2376 -175.05 -316.859 -319.375 -28.2372 -319.375 -12.0773 GPRESSURE: 1223600 -172.507 -180.965 -53.7073 -146.326 -277.669 -299.97 -38.2341 -361.436 -19.9166 PRESSAVG: 1223600 11.5476 -26.336 -18.2146 -26.336 -1.28095 16.8308 -18.2145 16.8307 7.62378 GPRESSAVG: 1223600 11.7076 -28.5544 -17.6759 -24.8228 -2.80647 16.9877 -16.6248 16.9371 9.09702 TIMING: 1223600 CPU: 3879.16, 0.00321043/step Wall: 3879.16, 0.00321043/step, 3.36774 hours remaining, 238.312500 MB of memory in use. ENERGY: 1223600 4020.3701 20589.1024 14401.7055 251.7228 -202824.7528 2204.7373 0.0000 0.0000 52209.9260 -109147.1888 300.0512 -161357.1148 -108777.7670 299.9990 -182.1398 -156.6977 761624.1705 5.9635 5.9994 PRESSURE: 1223800 -244.52 10.9504 130.089 10.9493 -19.2931 -94.0552 130.089 -94.0552 233.324 GPRESSURE: 1223800 -148.97 20.0635 89.3303 18.2263 -50.6702 -93.1203 63.075 -125.513 261.039 PRESSAVG: 1223800 35.285 -28.9111 -18.0501 -28.9111 -15.2305 -13.0225 -18.0501 -13.0225 20.9592 GPRESSAVG: 1223800 35.8868 -28.5661 -18.4272 -29.826 -15.6238 -14.7214 -19.1069 -11.4784 21.1263 TIMING: 1223800 CPU: 3879.8, 0.0032262/step Wall: 3879.8, 0.0032262/step, 3.3841 hours remaining, 238.312500 MB of memory in use. ENERGY: 1223800 3970.9285 20479.5778 14442.8768 250.4315 -203108.9990 2559.4955 0.0000 0.0000 52114.9831 -109290.7059 299.5055 -161405.6889 -108919.4627 299.6740 -10.1631 20.4664 763358.3748 13.6712 13.7964 PRESSURE: 1224000 -311.431 -165.188 -97.4916 -165.188 -178.486 121.153 -97.4927 121.154 -168.315 GPRESSURE: 1224000 -207.041 -231.7 -87.7988 -296.423 -223.441 114.833 -195.786 148.994 -124.02 PRESSAVG: 1224000 -3.26559 -7.30517 -4.17551 -7.30515 -40.5955 4.63375 -4.17548 4.63373 -5.94771 GPRESSAVG: 1224000 -3.69775 -8.96226 -3.82227 -7.33554 -40.3589 5.19521 -4.21217 4.22034 -5.19509 TIMING: 1224000 CPU: 3880.45, 0.0032223/step Wall: 3880.45, 0.0032223/step, 3.37984 hours remaining, 238.312500 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: 1224000 3897.9481 20460.1066 14368.4199 237.3276 -202573.3836 2168.0901 0.0000 0.0000 52109.6678 -109331.8234 299.4750 -161441.4912 -108967.4212 299.1412 -219.4107 -184.8337 762666.9971 -16.6029 -16.4172 PRESSURE: 1224200 -389.677 -6.55843 -271.261 -6.558 26.2577 224.842 -271.261 224.842 30.5511 GPRESSURE: 1224200 -435.859 11.7952 -229.411 -132.999 143.795 109.585 -264.444 368.699 33.0009 PRESSAVG: 1224200 -16.5216 -45.9532 35.0203 -45.9531 -6.09563 -9.38324 35.0203 -9.3832 22.7968 GPRESSAVG: 1224200 -16.204 -44.6701 34.1717 -44.7833 -5.07194 -9.4734 36.5969 -10.4252 20.7474 TIMING: 1224200 CPU: 3881.09, 0.0032102/step Wall: 3881.09, 0.0032102/step, 3.36697 hours remaining, 238.312500 MB of memory in use. ENERGY: 1224200 4011.0529 20530.7846 14477.9752 258.1841 -202963.4548 2584.4430 0.0000 0.0000 51894.4899 -109206.5252 298.2383 -161101.0151 -108852.1307 299.3060 -110.9561 -86.3543 761987.4764 0.0599 -0.1762 LDB: ============= START OF LOAD BALANCING ============== 3893.55 LDB: ============== END OF LOAD BALANCING =============== 3893.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3893.55 LDB: ============= START OF LOAD BALANCING ============== 3893.87 LDB: Largest compute 7033 load 0.038285 is 19.6% of average load 0.195127 LDB: Average compute 0.004409 is 2.3% of average load 0.195127 LDB: TIME 3893.88 LOAD: AVG 0.195127 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.586 MB LDB: TIME 3893.88 LOAD: AVG 0.195127 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.68 MB LDB: TIME 3893.88 LOAD: AVG 0.195127 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.68 MB LDB: ============== END OF LOAD BALANCING =============== 3893.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3893.89 PRESSURE: 1224400 -141.165 111.322 29.9307 111.322 112.013 -86.6266 29.9306 -86.6263 -4.00237 GPRESSURE: 1224400 -155.535 138.361 118.356 120.957 155.777 -69.507 148.616 -0.690083 44.2249 PRESSAVG: 1224400 47.0157 -53.0008 9.83375 -53.0008 -17.2605 72.0696 9.83375 72.0697 -23.8408 GPRESSAVG: 1224400 46.8754 -55.5431 10.5543 -54.711 -17.664 72.1947 10.1196 71.7935 -23.4033 TIMING: 1224400 CPU: 3881.75, 0.00329559/step Wall: 3881.75, 0.00329559/step, 3.45635 hours remaining, 237.914062 MB of memory in use. ENERGY: 1224400 3993.1125 20488.5107 14423.4871 241.5147 -202951.2050 2572.2199 0.0000 0.0000 51925.5275 -109306.8327 298.4167 -161232.3602 -108944.9955 299.0149 -11.0514 14.8224 760961.1730 1.9715 1.9360 PRESSURE: 1224600 -99.4421 -0.643448 -213.915 -0.644136 -391.569 -8.09067 -213.915 -8.09251 50.2017 GPRESSURE: 1224600 -96.4457 34.6904 -227.085 -19.9515 -355.359 -31.4379 -99.4279 26.9053 78.4153 PRESSAVG: 1224600 -31.0019 -14.8715 30.5915 -14.8714 47.8439 -0.93961 30.5915 -0.939592 -12.5642 GPRESSAVG: 1224600 -30.3321 -11.0872 30.457 -15.4279 46.5725 -1.33336 29.6724 0.504371 -12.5391 TIMING: 1224600 CPU: 3882.4, 0.00323337/step Wall: 3882.4, 0.00323337/step, 3.3909 hours remaining, 237.914062 MB of memory in use. ENERGY: 1224600 3986.6273 20513.9628 14484.1056 225.6586 -203296.6798 2369.9505 0.0000 0.0000 52422.2075 -109294.1675 301.2711 -161716.3750 -108923.7009 299.2776 -146.9363 -124.4632 761304.5126 1.4259 1.2338 PRESSURE: 1224800 95.7722 170.926 -300.394 170.926 125.357 92.6782 -300.394 92.6777 -128.986 GPRESSURE: 1224800 51.7769 178.052 -265.213 212.544 149.002 105.551 -212.462 65.4826 -49.8541 PRESSAVG: 1224800 -25.8081 -35.044 -0.122312 -35.044 19.4602 46.4582 -0.122303 46.4583 -10.7283 GPRESSAVG: 1224800 -25.6958 -37.5516 1.06001 -36.263 20.2173 45.1308 1.09647 46.4358 -11.3493 TIMING: 1224800 CPU: 3883.04, 0.00321178/step Wall: 3883.04, 0.00321178/step, 3.36809 hours remaining, 237.914062 MB of memory in use. ENERGY: 1224800 3961.9923 20557.0681 14356.2360 252.9590 -203215.2329 2722.7157 0.0000 0.0000 51844.8266 -109519.4352 297.9529 -161364.2618 -109156.7690 299.3670 30.7145 50.3084 763910.5252 -5.6921 -5.6093 PRESSURE: 1225000 45.9158 -25.0446 -20.1788 -25.0431 393.059 -37.6313 -20.1788 -37.6316 8.26112 GPRESSURE: 1225000 144.4 35.7075 -75.0671 -15.7017 369.734 19.7147 -209.235 -2.41904 19.8321 PRESSAVG: 1225000 -1.17404 -10.0841 -5.44416 -10.0841 0.596381 9.88019 -5.44411 9.88028 3.74603 GPRESSAVG: 1225000 -2.14734 -8.74883 -7.05077 -9.98546 0.559954 10.6091 -6.75779 9.27007 4.38695 TIMING: 1225000 CPU: 3883.68, 0.00321316/step Wall: 3883.68, 0.00321315/step, 3.36935 hours remaining, 237.914062 MB of memory in use. ENERGY: 1225000 4060.4774 20476.7285 14445.5407 247.2107 -203436.5607 2694.1709 0.0000 0.0000 52191.5666 -109320.8659 299.9457 -161512.4324 -108957.9662 299.1791 149.0787 177.9885 762499.3942 1.0561 0.9332 PRESSURE: 1225200 -141.826 225.341 -80.9329 225.341 -67.6622 -74.7713 -80.9319 -74.7705 -66.4404 GPRESSURE: 1225200 -76.5038 217.223 -125.584 229.15 -61.4549 -168.345 -113.505 -107.121 -48.3061 PRESSAVG: 1225200 -16.6415 -28.0028 -32.8368 -28.0027 11.014 9.00226 -32.8367 9.00229 22.7738 GPRESSAVG: 1225200 -16.3519 -29.1226 -33.8835 -24.706 10.531 6.51986 -31.223 9.29951 23.1453 TIMING: 1225200 CPU: 3884.32, 0.0032045/step Wall: 3884.32, 0.00320451/step, 3.3601 hours remaining, 237.914062 MB of memory in use. ENERGY: 1225200 4094.6535 20426.7318 14469.8456 251.6615 -203209.0732 2669.2264 0.0000 0.0000 51870.2358 -109426.7186 298.0990 -161296.9544 -109060.2252 299.1401 -91.9761 -62.0883 762402.5795 5.7154 5.7748 PRESSURE: 1225400 -110.269 -108.156 101.498 -108.155 -48.0993 -83.2117 101.497 -83.2114 -6.55561 GPRESSURE: 1225400 -46.7379 -116.57 100.037 -141.612 2.98582 -144.94 53.6085 10.2162 -54.7412 PRESSAVG: 1225400 -10.9196 -37.2056 -31.8484 -37.2057 -2.51869 -16.3928 -31.8484 -16.3929 18.2478 GPRESSAVG: 1225400 -10.2079 -34.7556 -31.1155 -40.1092 -3.45115 -13.8515 -33.3112 -18.8716 18.0476 TIMING: 1225400 CPU: 3884.97, 0.00322845/step Wall: 3884.97, 0.00322845/step, 3.38503 hours remaining, 237.914062 MB of memory in use. ENERGY: 1225400 4029.3436 20584.3894 14451.5516 244.1626 -202799.7015 2270.4261 0.0000 0.0000 51937.5806 -109282.2476 298.4860 -161219.8282 -108932.5633 299.6927 -54.9745 -32.8311 763329.1797 1.6032 1.4628 PRESSURE: 1225600 30.8185 -90.1995 203.5 -90.2 -118.974 -83.2177 203.502 -83.2185 193.19 GPRESSURE: 1225600 11.156 -77.7679 230.08 -40.1118 -64.1445 -101.02 118.18 -9.99964 237.251 PRESSAVG: 1225600 16.4409 -0.876251 18.1779 -0.876328 -29.9828 -22.678 18.1779 -22.678 24.7466 GPRESSAVG: 1225600 14.7618 -0.305798 17.6183 -0.801875 -29.0976 -22.8784 18.9337 -19.3681 25.3053 TIMING: 1225600 CPU: 3885.61, 0.00323132/step Wall: 3885.61, 0.00323132/step, 3.38786 hours remaining, 237.914062 MB of memory in use. ENERGY: 1225600 4013.2093 20482.4118 14370.2289 268.1296 -203369.1199 2805.4746 0.0000 0.0000 51941.0835 -109488.5823 298.5061 -161429.6658 -109124.0271 299.3815 35.0115 61.4208 762268.0870 3.7349 3.6565 PRESSURE: 1225800 -156.054 -11.6818 392.319 -11.6819 -164.227 -61.0959 392.32 -61.0959 -410.631 GPRESSURE: 1225800 -126.243 56.4769 401.591 -91.8002 -173.361 19.7657 300.739 -189.138 -346.519 PRESSAVG: 1225800 11.7913 39.6922 0.139899 39.6922 -14.3058 -8.08383 0.139888 -8.08387 16.0787 GPRESSAVG: 1225800 12.5923 38.1091 1.29572 40.6736 -14.5354 -6.84636 1.3488 -8.83658 15.791 TIMING: 1225800 CPU: 3886.26, 0.00322067/step Wall: 3886.26, 0.00322067/step, 3.37652 hours remaining, 237.914062 MB of memory in use. ENERGY: 1225800 4081.7185 20585.9918 14452.6318 235.6109 -203257.7435 2701.4483 0.0000 0.0000 51907.5448 -109292.7973 298.3134 -161200.3422 -108937.1440 299.4730 -243.6370 -215.3743 761464.1824 4.5214 4.6160 PRESSURE: 1226000 -183.824 333.702 -53.8575 333.701 27.8774 178.661 -53.8579 178.662 58.6055 GPRESSURE: 1226000 -88.8837 290.599 -49.4133 400.035 39.883 117.833 -157.973 48.3372 30.2024 PRESSAVG: 1226000 -15.6131 -20.6781 40.2746 -20.6781 31.9065 30.7927 40.2746 30.7926 -4.72985 GPRESSAVG: 1226000 -17.1781 -22.2945 40.0227 -20.6837 33.1566 29.9353 40.563 28.774 -4.62641 TIMING: 1226000 CPU: 3886.9, 0.00320528/step Wall: 3886.9, 0.00320528/step, 3.3602 hours remaining, 237.914062 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: 1226000 3989.8958 20534.3842 14412.4726 234.4656 -203447.4750 2475.9639 0.0000 0.0000 52504.5697 -109295.7232 301.7445 -161800.2930 -108931.3793 299.4296 -32.4472 -6.2661 761478.8577 3.8545 3.7840 PRESSURE: 1226200 -382.875 -210.081 56.8676 -210.081 -264.259 -163.443 56.8675 -163.445 -12.0625 GPRESSURE: 1226200 -355.935 -144.194 -15.3761 -196.114 -207.148 -25.9252 168.745 -238.069 -6.37805 PRESSAVG: 1226200 0.454559 30.2956 13.8487 30.2957 -22.1812 -18.2856 13.8488 -18.2856 -36.3715 GPRESSAVG: 1226200 1.63257 31.3315 11.6119 31.143 -23.3433 -17.6518 13.7473 -16.4708 -36.7801 TIMING: 1226200 CPU: 3887.55, 0.00322897/step Wall: 3887.55, 0.00322897/step, 3.38486 hours remaining, 237.914062 MB of memory in use. ENERGY: 1226200 3943.7827 20437.9676 14479.4366 254.4895 -202561.0262 2239.5378 0.0000 0.0000 52116.3871 -109089.4248 299.5136 -161205.8119 -108720.2641 299.5261 -219.7321 -189.8203 761888.6391 -19.3661 -19.4969 PRESSURE: 1226400 50.3814 178.994 -56.6909 178.994 3.38697 -83.0165 -56.6903 -83.0179 338.302 GPRESSURE: 1226400 125.796 175.373 -53.9609 80.4714 -15.7124 -94.8592 -25.4775 -175.695 367.743 PRESSAVG: 1226400 6.7565 8.04181 22.2711 8.04177 -2.8508 -53.9216 22.2711 -53.9215 30.5465 GPRESSAVG: 1226400 6.34135 8.67602 25.1386 8.32164 -1.79657 -55.0872 22.4935 -55.0074 29.6274 TIMING: 1226400 CPU: 3888.19, 0.00324674/step Wall: 3888.19, 0.00324674/step, 3.40331 hours remaining, 237.914062 MB of memory in use. ENERGY: 1226400 3986.6667 20317.3606 14416.8192 236.0746 -203290.0327 2863.8538 0.0000 0.0000 52325.7461 -109143.5117 300.7168 -161469.2578 -108775.5471 300.1191 130.6902 159.2758 760158.2659 11.4841 11.3907 PRESSURE: 1226600 -265.521 106.209 -110.236 106.209 -441.807 217.226 -110.236 217.226 -144.164 GPRESSURE: 1226600 -263.813 53.1308 -113.476 30.4873 -331.655 209.994 -61.1369 272.154 -153.219 PRESSAVG: 1226600 -2.79101 21.104 52.895 21.104 43.1942 5.07907 52.895 5.07909 15.313 GPRESSAVG: 1226600 -2.53598 20.1599 51.5205 19.8828 42.6573 5.77266 52.405 6.67863 15.3139 TIMING: 1226600 CPU: 3888.84, 0.00321498/step Wall: 3888.84, 0.00321498/step, 3.36983 hours remaining, 237.914062 MB of memory in use. ENERGY: 1226600 4021.0976 20360.3009 14354.3226 243.3572 -202877.3522 2315.5882 0.0000 0.0000 52480.5888 -109102.0968 301.6067 -161582.6857 -108740.6582 300.0427 -283.8308 -249.5626 761529.8373 18.5720 18.4784 PRESSURE: 1226800 -172.963 18.8842 125.159 18.8832 -193.842 -30.7015 125.159 -30.7016 -183.307 GPRESSURE: 1226800 -108.007 -41.5966 149.254 1.30626 -148.54 -92.7388 2.32494 -43.477 -212.6 PRESSAVG: 1226800 12.6609 -31.5522 -9.45129 -31.5521 12.4322 10.1624 -9.45128 10.1624 -5.81879 GPRESSAVG: 1226800 14.2583 -32.0514 -9.38538 -31.4732 10.0829 11.2102 -9.48 10.3522 -4.57671 TIMING: 1226800 CPU: 3889.48, 0.00323125/step Wall: 3889.48, 0.00323125/step, 3.38671 hours remaining, 237.914062 MB of memory in use. ENERGY: 1226800 4018.8207 20412.4927 14329.0616 234.3436 -202774.1546 2399.0038 0.0000 0.0000 52322.6379 -109057.7943 300.6989 -161380.4322 -108692.5643 300.3868 -183.3706 -156.3824 762985.4906 6.4248 6.5882 PRESSURE: 1227000 -85.146 64.7967 56.1075 64.7967 160.588 67.9421 56.1079 67.9421 381.907 GPRESSURE: 1227000 3.17741 38.892 52.0642 -9.26182 255.772 49.4812 52.7693 11.939 268.919 PRESSAVG: 1227000 28.9888 -31.0001 -86.7465 -31.0001 1.69387 -39.1308 -86.7465 -39.1307 -3.62117 GPRESSAVG: 1227000 27.9977 -32.0328 -87.9989 -30.33 3.55136 -39.0364 -86.8877 -41.8583 -4.74584 TIMING: 1227000 CPU: 3890.13, 0.00322469/step Wall: 3890.13, 0.00322469/step, 3.37965 hours remaining, 237.914062 MB of memory in use. ENERGY: 1227000 3932.0102 20541.1082 14431.9008 229.7807 -203042.4001 2603.0804 0.0000 0.0000 52232.9512 -109071.5688 300.1835 -161304.5200 -108710.4326 300.6273 152.4496 175.9561 761165.0171 9.0205 8.9344 PRESSURE: 1227200 100.985 -39.7781 -217.368 -39.7776 62.317 -57.8392 -217.368 -57.839 -176.201 GPRESSURE: 1227200 124.741 -51.0365 -130.74 -110.174 61.0205 -45.2176 -138.32 21.2126 -114.993 PRESSAVG: 1227200 -23.7345 47.0833 -45.178 47.0833 8.45546 36.2384 -45.1781 36.2383 -17.5614 GPRESSAVG: 1227200 -24.1839 49.0667 -41.9175 46.3926 7.06783 33.9106 -47.9458 37.6039 -16.2622 TIMING: 1227200 CPU: 3890.78, 0.00323126/step Wall: 3890.78, 0.00323126/step, 3.38636 hours remaining, 237.914062 MB of memory in use. ENERGY: 1227200 4003.9371 20522.4093 14452.2018 247.4720 -203024.2219 2596.9984 0.0000 0.0000 52019.7829 -109181.4203 298.9584 -161201.2032 -108822.1782 299.6759 -4.2997 23.5893 762333.9773 -10.9468 -11.1261 PRESSURE: 1227400 -36.7919 60.8456 -398.189 60.8463 -2.68985 8.25675 -398.19 8.2572 135.414 GPRESSURE: 1227400 45.6175 -19.4792 -338.845 38.0755 90.1471 43.865 -332.628 98.2101 40.3912 PRESSAVG: 1227400 -20.0416 -20.5431 -24.5414 -20.5431 24.6566 30.9177 -24.5414 30.9177 -0.197987 GPRESSAVG: 1227400 -19.5429 -21.6735 -27.4545 -20.5133 24.8335 33.1922 -19.9617 30.5918 -0.501264 TIMING: 1227400 CPU: 3891.41, 0.00319866/step Wall: 3891.41, 0.00319866/step, 3.35202 hours remaining, 237.914062 MB of memory in use. ENERGY: 1227400 3957.1514 20657.4933 14417.9626 247.8053 -203220.9184 2787.6228 0.0000 0.0000 51991.5130 -109161.3701 298.7959 -161152.8831 -108803.7447 299.8179 31.9775 58.7186 762762.7538 1.4723 1.5964 PRESSURE: 1227600 -393.073 -89.5394 81.2155 -89.5397 102.831 -89.0261 81.2152 -89.0265 250.957 GPRESSURE: 1227600 -290.18 -89.2801 69.9468 -96.4 145.46 -51.2671 106.656 -51.9909 209.248 PRESSAVG: 1227600 51.6425 14.3094 -31.9618 14.3094 -6.62169 11.9516 -31.9618 11.9516 -4.03313 GPRESSAVG: 1227600 50.4495 15.936 -29.7023 12.9814 -5.8334 10.9827 -34.8571 12.2323 -3.7536 TIMING: 1227600 CPU: 3892.06, 0.00321628/step Wall: 3892.06, 0.00321628/step, 3.37031 hours remaining, 237.914062 MB of memory in use. ENERGY: 1227600 3988.1824 20409.9012 14375.0465 257.3097 -203137.9453 2464.5517 0.0000 0.0000 52344.1840 -109298.7698 300.8227 -161642.9537 -108926.5925 299.9994 -13.0949 21.5095 760997.4789 13.6626 13.6208 PRESSURE: 1227800 28.2449 225.488 -138.977 225.488 -46.7049 -91.111 -138.977 -91.1092 -302.561 GPRESSURE: 1227800 15.8827 130.313 -69.238 119.488 54.4574 -14.5847 -239.274 -27.8772 -321.724 PRESSAVG: 1227800 49.5042 18.6163 -81.6495 18.6163 -50.9147 -4.80619 -81.6494 -4.80616 -13.0356 GPRESSAVG: 1227800 49.991 17.7089 -82.9769 18.8445 -51.7921 -5.12392 -81.1417 -4.35687 -12.9346 TIMING: 1227800 CPU: 3892.7, 0.00323312/step Wall: 3892.7, 0.00323312/step, 3.38777 hours remaining, 237.914062 MB of memory in use. ENERGY: 1227800 4020.5463 20570.2310 14422.0307 253.8921 -203964.8254 3146.8643 0.0000 0.0000 52172.0673 -109379.1937 299.8336 -161551.2609 -109021.6504 299.6271 -107.0070 -83.7946 761229.1355 -4.8153 -4.9119 PRESSURE: 1228000 -115.306 26.4398 -79.1971 26.4397 -137.125 30.668 -79.1968 30.6685 -287.24 GPRESSURE: 1228000 -160.815 92.6128 -130.729 -95.9943 -34.9462 51.7738 103.571 -85.498 -248.359 PRESSAVG: 1228000 -0.404426 52.1642 20.484 52.1642 -13.0445 -7.76293 20.484 -7.76289 -16.7621 GPRESSAVG: 1228000 -1.13451 50.5097 21.086 53.0339 -11.6308 -8.6671 21.5872 -9.11566 -17.534 TIMING: 1228000 CPU: 3893.35, 0.00322849/step Wall: 3893.35, 0.00322849/step, 3.38274 hours remaining, 237.914062 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: 1228000 3966.9852 20669.7148 14375.1377 264.0114 -203023.7860 2358.8915 0.0000 0.0000 52047.9572 -109341.0883 299.1203 -161389.0454 -108981.0382 299.5321 -179.8902 -148.0400 763794.5157 -10.0703 -10.0998 PRESSURE: 1228200 -204.385 -85.5063 20.1384 -85.5062 172.63 -80.7483 20.1383 -80.7466 -268.782 GPRESSURE: 1228200 -162.912 -126.021 19.5832 -61.3671 220.854 -99.275 44.714 -168.524 -266.77 PRESSAVG: 1228200 -8.61726 -31.9589 -52.5383 -31.9589 1.31259 -0.204106 -52.5383 -0.204066 -32.5827 GPRESSAVG: 1228200 -8.72768 -31.2496 -51.6796 -31.9044 0.937747 0.656558 -52.0552 2.04071 -32.0798 TIMING: 1228200 CPU: 3893.99, 0.00320451/step Wall: 3893.99, 0.00320451/step, 3.35744 hours remaining, 237.914062 MB of memory in use. ENERGY: 1228200 3925.5529 20763.1337 14409.5279 270.6590 -203529.6177 2859.1139 0.0000 0.0000 51906.7509 -109394.8794 298.3088 -161301.6303 -109044.2449 298.8120 -100.1789 -69.6095 762112.0640 -13.2958 -13.2899 LDB: ============= START OF LOAD BALANCING ============== 3906.45 LDB: ============== END OF LOAD BALANCING =============== 3906.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3906.45 LDB: ============= START OF LOAD BALANCING ============== 3906.77 LDB: Largest compute 7032 load 0.035481 is 18.2% of average load 0.195087 LDB: Average compute 0.004416 is 2.3% of average load 0.195087 LDB: TIME 3906.78 LOAD: AVG 0.195087 MAX 0.217628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.855 MB LDB: TIME 3906.78 LOAD: AVG 0.195087 MAX 0.217628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: TIME 3906.78 LOAD: AVG 0.195087 MAX 0.217628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.855 MB LDB: ============== END OF LOAD BALANCING =============== 3906.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3906.78 PRESSURE: 1228400 -283.222 16.6966 156.541 16.6963 -250.043 33.0385 156.542 33.0375 -403.91 GPRESSURE: 1228400 -286.889 2.14705 154.305 4.50107 -289.817 100.964 85.8071 -35.3578 -287.343 PRESSAVG: 1228400 -7.82825 -17.2621 -33.458 -17.262 -68.962 -9.55815 -33.458 -9.55813 -2.30616 GPRESSAVG: 1228400 -7.99497 -16.3658 -33.9867 -16.9475 -69.6379 -8.15136 -36.541 -11.1712 -1.36382 TIMING: 1228400 CPU: 3894.65, 0.00328657/step Wall: 3894.65, 0.00328656/step, 3.44322 hours remaining, 238.371094 MB of memory in use. ENERGY: 1228400 3981.7337 20526.0037 14449.0726 231.4737 -203253.6457 2587.6150 0.0000 0.0000 52095.7625 -109381.9845 299.3951 -161477.7469 -109008.3946 299.0646 -312.3918 -288.0162 762564.8026 -26.3655 -26.3322 PRESSURE: 1228600 367.654 109.225 57.3464 109.225 36.4512 241.001 57.3465 241.001 31.3739 GPRESSURE: 1228600 385.195 68.2513 8.84271 97.3966 49.2997 277.655 -24.077 74.7787 72.4815 PRESSAVG: 1228600 -51.7031 11.5828 9.49115 11.5828 36.2692 55.547 9.49113 55.5469 -24.8413 GPRESSAVG: 1228600 -51.8656 11.7694 8.15701 12.02 35.8892 54.6693 9.76156 55.2935 -24.5989 TIMING: 1228600 CPU: 3895.3, 0.0032321/step Wall: 3895.3, 0.0032321/step, 3.38598 hours remaining, 238.371094 MB of memory in use. ENERGY: 1228600 3970.1416 20738.9104 14462.5085 239.6779 -203787.7880 3195.7653 0.0000 0.0000 51979.6019 -109201.1824 298.7275 -161180.7844 -108843.3237 299.1402 145.1597 168.9921 762274.0596 -13.4251 -13.5251 PRESSURE: 1228800 -268.857 -38.95 75.4325 -38.9502 -27.4285 -257.164 75.432 -257.164 -283.697 GPRESSURE: 1228800 -201.43 -177.234 18.4583 48.6718 -35.1173 -227.662 127.922 -95.88 -265.914 PRESSAVG: 1228800 -8.43207 -16.8839 -37.2538 -16.884 43.6409 17.0381 -37.2538 17.0381 18.0332 GPRESSAVG: 1228800 -7.75668 -17.0693 -35.4092 -16.6463 43.0755 16.4674 -37.1195 15.9405 17.9903 TIMING: 1228800 CPU: 3895.94, 0.00323517/step Wall: 3895.94, 0.00323517/step, 3.38902 hours remaining, 238.371094 MB of memory in use. ENERGY: 1228800 4012.4793 20636.7068 14433.5240 234.5015 -202790.7519 2382.7695 0.0000 0.0000 52182.1773 -108908.5935 299.8917 -161090.7708 -108553.0403 300.2634 -193.3275 -167.4872 761392.1812 17.7473 17.7697 PRESSURE: 1229000 71.0044 110.687 -40.1978 110.685 395.551 216.043 -40.1984 216.044 214.064 GPRESSURE: 1229000 18.7231 165.942 -62.4976 -10.3004 496.643 187.474 10.5181 49.0818 252.486 PRESSAVG: 1229000 -11.4414 -2.58585 16.9563 -2.58584 23.7622 29.1706 16.9564 29.1706 -10.2203 GPRESSAVG: 1229000 -11.8584 -2.62738 15.817 -2.10976 25.0116 27.5845 18.4141 32.6093 -10.5966 TIMING: 1229000 CPU: 3896.6, 0.00326614/step Wall: 3896.6, 0.00326614/step, 3.42128 hours remaining, 238.371094 MB of memory in use. ENERGY: 1229000 3918.8198 20632.6970 14326.7790 243.6106 -203186.3430 2915.3969 0.0000 0.0000 52035.2959 -109113.7438 299.0476 -161149.0397 -108758.1270 299.9833 226.8733 255.9505 760799.0089 0.7001 0.8522 PRESSURE: 1229200 -105.288 -136.845 -134.218 -136.844 -17.5611 107.683 -134.218 107.681 -372.467 GPRESSURE: 1229200 -18.1559 -253.222 7.03291 -83.6407 -17.1185 137.25 -63.4101 22.9473 -366.654 PRESSAVG: 1229200 24.567 -3.22495 10.189 -3.22491 29.7938 13.5374 10.1889 13.5373 13.1347 GPRESSAVG: 1229200 24.4001 -3.72503 10.3366 -3.45935 29.282 15.6386 9.68849 11.8928 13.655 TIMING: 1229200 CPU: 3897.24, 0.00321748/step Wall: 3897.24, 0.00321748/step, 3.37013 hours remaining, 238.371094 MB of memory in use. ENERGY: 1229200 3945.1380 20613.9727 14408.5280 236.9370 -203018.0265 2345.9250 0.0000 0.0000 52038.6729 -109428.8529 299.0670 -161467.5257 -109069.9965 299.3975 -165.1054 -133.9762 762494.6321 22.4985 22.4457 PRESSURE: 1229400 -189.339 191.994 -53.9081 191.994 -34.0641 -118.557 -53.9077 -118.556 243.247 GPRESSURE: 1229400 -199.318 175.817 -75.4309 240.766 -7.62415 -176.713 -88.5121 -164.512 314.023 PRESSAVG: 1229400 11.3357 -14.7599 17.3329 -14.7599 -1.89578 -26.0066 17.3329 -26.0066 -19.9815 GPRESSAVG: 1229400 11.8156 -12.6168 18.1879 -15.5475 -1.2067 -26.375 15.5024 -26.3839 -21.3934 TIMING: 1229400 CPU: 3897.89, 0.00326776/step Wall: 3897.89, 0.00326776/step, 3.42261 hours remaining, 238.371094 MB of memory in use. ENERGY: 1229400 4076.7175 20507.4053 14442.0317 254.8270 -203135.7865 2561.5509 0.0000 0.0000 51805.9717 -109487.2823 297.7296 -161293.2540 -109136.4351 298.6064 6.6146 35.6935 762280.1581 -3.5139 -3.5948 PRESSURE: 1229600 -140.02 -85.0719 241.692 -85.0719 340.131 -18.2403 241.692 -18.2403 -56.2639 GPRESSURE: 1229600 -65.2399 -128.212 174.524 60.9506 345.049 63.7391 114.296 -82.7951 -55.1826 PRESSAVG: 1229600 50.1951 28.0592 34.4995 28.0593 -3.24615 5.37811 34.4995 5.37804 16.3964 GPRESSAVG: 1229600 49.5507 25.4754 34.3564 28.7552 -4.9858 4.86418 36.6405 3.75383 19.1218 TIMING: 1229600 CPU: 3898.55, 0.00327521/step Wall: 3898.55, 0.00327521/step, 3.43024 hours remaining, 238.371094 MB of memory in use. ENERGY: 1229600 3961.6082 20495.0378 14448.9481 248.7577 -203179.9218 2573.2268 0.0000 0.0000 52078.3391 -109374.0042 299.2949 -161452.3433 -109006.0747 299.5458 47.9489 74.8755 761944.9764 21.1151 21.2289 PRESSURE: 1229800 119.321 17.4545 -145.412 17.4546 144.968 13.4124 -145.412 13.4133 -160.375 GPRESSURE: 1229800 198.869 3.55639 -181.374 -1.15677 68.6619 -35.5101 -154.654 20.1658 -75.0393 PRESSAVG: 1229800 -19.4192 -36.0179 -0.173803 -36.0178 8.46364 -48.9517 -0.173798 -48.9517 -4.4527 GPRESSAVG: 1229800 -19.1128 -35.2541 -0.701617 -35.9137 10.6281 -48.3911 -0.456198 -45.6862 -6.46913 TIMING: 1229800 CPU: 3899.2, 0.00325312/step Wall: 3899.2, 0.00325312/step, 3.40692 hours remaining, 238.371094 MB of memory in use. ENERGY: 1229800 4081.2529 20512.2757 14495.3409 249.8335 -203462.8574 2723.5667 0.0000 0.0000 51972.8688 -109427.7189 298.6888 -161400.5877 -109069.3700 298.9702 34.6381 64.1639 761847.5365 -5.1361 -4.9846 PRESSURE: 1230000 -9.83933 25.1287 -110.293 25.1277 72.6539 -154.714 -110.293 -154.714 439.89 GPRESSURE: 1230000 146.341 168.304 -87.4337 -51.4219 -22.3166 -107.157 -35.512 -211.222 455.73 PRESSAVG: 1230000 31.4406 55.3496 -6.7754 55.3496 -10.5326 -13.2258 -6.7755 -13.2258 -10.132 GPRESSAVG: 1230000 32.3286 54.1594 -8.0588 55.7312 -12.1707 -13.6038 -6.17269 -14.2412 -9.51085 TIMING: 1230000 CPU: 3899.85, 0.00324985/step Wall: 3899.85, 0.00324985/step, 3.40332 hours remaining, 238.371094 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: 1230000 3965.8258 20537.9054 14500.2863 237.6679 -203383.4401 2570.1412 0.0000 0.0000 52224.4947 -109347.1188 300.1349 -161571.6135 -108988.9172 299.3159 167.5681 193.2512 760394.4963 3.5920 3.5490 PRESSURE: 1230200 510.392 148.405 -14.2799 148.406 102.603 -109.79 -14.2803 -109.79 38.286 GPRESSURE: 1230200 518.681 108.271 15.1365 184.518 122.745 -87.9584 98.4877 -32.4376 90.9131 PRESSAVG: 1230200 5.59725 -8.73025 -27.786 -8.73018 3.55145 12.5168 -27.7859 12.5168 -16.21 GPRESSAVG: 1230200 4.07546 -9.70236 -27.4837 -6.91029 4.83584 13.0967 -27.4294 13.7995 -15.3239 TIMING: 1230200 CPU: 3900.5, 0.00326225/step Wall: 3900.5, 0.00326225/step, 3.41612 hours remaining, 238.371094 MB of memory in use. ENERGY: 1230200 3976.3180 20497.5850 14419.5563 246.4607 -203248.9233 2770.6281 0.0000 0.0000 52197.3574 -109141.0178 299.9789 -161338.3752 -108773.0611 299.2283 217.0937 244.1132 760931.9134 -2.3538 -2.1375 PRESSURE: 1230400 -73.8596 51.2229 167.385 51.2224 -180.298 156.211 167.385 156.211 -284.805 GPRESSURE: 1230400 -52.7569 62.1745 223.606 74.819 -162.102 244.72 79.9496 -47.8237 -247.534 PRESSAVG: 1230400 -19.9639 4.19589 -41.4773 4.19586 43.8752 54.0817 -41.4773 54.0817 -25.5987 GPRESSAVG: 1230400 -19.0216 7.25818 -41.6043 4.26225 44.2065 54.9711 -41.1055 50.4102 -26.6387 TIMING: 1230400 CPU: 3901.15, 0.00323254/step Wall: 3901.15, 0.00323254/step, 3.38483 hours remaining, 238.371094 MB of memory in use. ENERGY: 1230400 4033.8515 20521.7011 14489.5642 243.5471 -202657.7484 2323.8167 0.0000 0.0000 51924.0683 -109121.1995 298.4083 -161045.2678 -108764.9881 299.5518 -179.6543 -154.1311 762574.9072 -0.5624 -0.4846 PRESSURE: 1230600 64.69 201.004 60.3991 201.003 -21.0143 63.5808 60.3993 63.5794 -72.3138 GPRESSURE: 1230600 128.37 124.569 27.2411 165.457 -10.081 67.8815 18.0177 -26.4345 -48.2234 PRESSAVG: 1230600 11.9784 -1.50824 -41.1388 -1.50831 29.335 -11.7404 -41.1388 -11.7405 27.455 GPRESSAVG: 1230600 11.5537 -1.15672 -40.2364 -5.54825 29.5027 -13.483 -42.886 -11.2736 28.3963 TIMING: 1230600 CPU: 3901.8, 0.00325745/step Wall: 3901.8, 0.00325745/step, 3.41073 hours remaining, 238.371094 MB of memory in use. ENERGY: 1230600 3917.7843 20632.3652 14459.8557 243.1446 -203433.4943 2732.4125 0.0000 0.0000 52208.8697 -109239.0623 300.0451 -161447.9320 -108880.8588 299.6201 -9.5460 23.3551 761285.7515 22.9228 23.1509 PRESSURE: 1230800 -101.54 -68.5431 -120.9 -68.5425 -52.0447 -131.493 -120.9 -131.493 -350.789 GPRESSURE: 1230800 -52.8996 107.248 -188.309 -77.6982 -45.9077 -163.653 -151.515 -42.1401 -315.988 PRESSAVG: 1230800 -34.0001 31.9487 -49.2342 31.9487 -1.94961 -11.2387 -49.2342 -11.2388 -14.9721 GPRESSAVG: 1230800 -33.7394 31.7935 -50.0495 32.2873 -2.2441 -8.84827 -49.5654 -10.6436 -14.8732 TIMING: 1230800 CPU: 3902.45, 0.00326538/step Wall: 3902.45, 0.00326538/step, 3.41885 hours remaining, 238.371094 MB of memory in use. ENERGY: 1230800 4042.7645 20544.3911 14460.8932 252.5895 -203041.8572 2392.2327 0.0000 0.0000 52095.4525 -109253.5337 299.3933 -161348.9862 -108891.3604 299.2678 -168.1244 -138.2650 761317.3227 -16.9740 -16.9522 PRESSURE: 1231000 13.4613 51.3281 -37.9786 51.3266 -146.153 -254.726 -37.9797 -254.726 119.621 GPRESSURE: 1231000 65.5224 -28.2353 -57.3347 15.7412 -112.723 -244.378 -29.2169 -220.771 110.025 PRESSAVG: 1231000 8.01493 20.2433 -52.3483 20.2433 -18.1754 8.49117 -52.3484 8.4911 20.0394 GPRESSAVG: 1231000 8.87732 18.7852 -52.2283 21.3931 -18.2466 5.44027 -50.3509 9.54068 18.9977 TIMING: 1231000 CPU: 3903.1, 0.00322282/step Wall: 3903.1, 0.00322282/step, 3.37411 hours remaining, 238.371094 MB of memory in use. ENERGY: 1231000 3925.5236 20570.0197 14368.3338 249.1765 -203285.0935 2759.8751 0.0000 0.0000 51922.3890 -109489.7759 298.3987 -161412.1649 -109120.8950 299.0518 -4.3572 20.9414 761224.8880 3.2930 3.2095 PRESSURE: 1231200 -194.678 -2.47763 282.789 -2.47702 5.22702 52.2452 282.79 52.2458 -148.425 GPRESSURE: 1231200 -183.445 159.398 146.027 -8.67673 -6.85936 33.043 286.969 -43.4854 -77.5469 PRESSAVG: 1231200 -1.78593 -37.7121 -62.6306 -37.7121 -2.95779 -12.6747 -62.6306 -12.6747 -8.84051 GPRESSAVG: 1231200 -2.09165 -34.9995 -61.8761 -37.7495 -4.63626 -10.395 -63.8713 -14.025 -6.89295 TIMING: 1231200 CPU: 3903.74, 0.00322016/step Wall: 3903.74, 0.00322016/step, 3.37115 hours remaining, 238.371094 MB of memory in use. ENERGY: 1231200 4033.7162 20528.0010 14445.4758 240.6216 -203419.6856 2749.8402 0.0000 0.0000 51966.1716 -109455.8591 298.6503 -161422.0308 -109087.5170 298.5269 -112.6255 -89.2838 761608.0805 -4.5281 -4.5403 PRESSURE: 1231400 343.568 139.701 58.0309 139.701 -360.444 30.4261 58.0313 30.4261 -316.503 GPRESSURE: 1231400 372.234 43.2414 20.3409 108.394 -298.624 19.6703 -27.2007 25.7846 -324.915 PRESSAVG: 1231400 32.7767 46.6507 -23.5014 46.6506 -30.8994 -6.30009 -23.5014 -6.30011 1.96002 GPRESSAVG: 1231400 32.0679 42.3163 -23.8656 46.9762 -28.9223 -6.07624 -26.3078 -5.74791 0.351679 TIMING: 1231400 CPU: 3904.38, 0.0032013/step Wall: 3904.38, 0.0032013/step, 3.35122 hours remaining, 238.371094 MB of memory in use. ENERGY: 1231400 4010.5709 20594.7362 14385.4931 237.9432 -203067.9666 2509.5849 0.0000 0.0000 52047.3391 -109282.2992 299.1168 -161329.6384 -108923.6694 299.8278 -111.1263 -83.7683 762416.6027 1.2791 1.1658 PRESSURE: 1231600 -99.5569 114.281 -153.344 114.281 -179.858 -77.0697 -153.344 -77.0687 41.4362 GPRESSURE: 1231600 -52.5011 109.081 -205.778 43.9503 -168.066 -70.3053 -119.705 3.91316 59.8724 PRESSAVG: 1231600 -20.594 33.6444 27.3233 33.6444 0.475222 27.7208 27.3233 27.7209 -1.6097 GPRESSAVG: 1231600 -20.608 33.997 27.3192 34.242 -0.623118 27.851 28.9594 29.3971 -0.766881 TIMING: 1231600 CPU: 3905.02, 0.0032138/step Wall: 3905.02, 0.0032138/step, 3.36414 hours remaining, 238.371094 MB of memory in use. ENERGY: 1231600 4037.8983 20670.5339 14412.1805 245.3890 -203265.1692 2734.2470 0.0000 0.0000 51897.6848 -109267.2357 298.2567 -161164.9206 -108912.5939 299.6203 -79.3261 -53.5649 762031.9134 -7.2428 -7.3327 PRESSURE: 1231800 -287.635 -5.3126 127.727 -5.31313 -174.491 -107.54 127.727 -107.54 107.698 GPRESSURE: 1231800 -232.819 -9.04141 129.279 11.7602 -110.023 -95.5982 138.405 -98.1759 83.4698 PRESSAVG: 1231800 35.9332 34.7136 -35.4582 34.7135 -30.4794 -11.8082 -35.4583 -11.8082 -5.22692 GPRESSAVG: 1231800 36.7403 37.5463 -34.9009 34.7331 -29.7878 -11.1192 -34.0846 -12.3602 -7.18288 TIMING: 1231800 CPU: 3905.67, 0.00321321/step Wall: 3905.67, 0.00321321/step, 3.36334 hours remaining, 238.371094 MB of memory in use. ENERGY: 1231800 4016.1177 20432.4169 14334.6560 250.3057 -203169.5532 2567.8436 0.0000 0.0000 52163.4785 -109404.7347 299.7842 -161568.2132 -109033.4812 298.6388 -118.1424 -86.4573 762957.7453 0.0756 -0.0768 PRESSURE: 1232000 200.598 17.801 -88.21 17.8014 236.409 -405.075 -88.21 -405.074 171.935 GPRESSURE: 1232000 249.209 19.0322 -18.8339 92.7824 261.503 -328.431 -97.084 -289.597 198.897 PRESSAVG: 1232000 -3.34891 53.6137 -12.0406 53.6137 -40.5295 10.2068 -12.0406 10.2066 10.0107 GPRESSAVG: 1232000 -5.50979 52.5418 -13.7533 52.2802 -40.201 8.56747 -11.5455 8.23664 11.8356 TIMING: 1232000 CPU: 3906.31, 0.00319847/step Wall: 3906.31, 0.00319847/step, 3.34773 hours remaining, 238.371094 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: 1232000 3920.5939 20543.0036 14400.2869 258.4530 -203110.2602 2814.1634 0.0000 0.0000 51886.7728 -109286.9867 298.1940 -161173.7595 -108932.0044 299.0172 202.9808 236.5363 762559.8923 -11.2893 -11.2918 PRESSURE: 1232200 493.339 -138.807 -77.322 -138.807 51.2621 182.659 -77.3226 182.66 -4.61498 GPRESSURE: 1232200 579.868 -176.674 -67.5154 -186.644 128.608 130.383 -136.469 62.4283 -73.4817 PRESSAVG: 1232200 -17.7359 37.0021 26.1976 37.002 13.852 16.9126 26.1976 16.9126 2.91563 GPRESSAVG: 1232200 -17.6997 35.8188 27.7227 38.4494 14.4545 17.6169 25.4295 17.2068 2.47124 TIMING: 1232200 CPU: 3906.94, 0.0031905/step Wall: 3906.94, 0.0031905/step, 3.33921 hours remaining, 238.371094 MB of memory in use. ENERGY: 1232200 3975.0451 20387.5600 14383.7211 248.2658 -202830.9397 2470.0006 0.0000 0.0000 52159.3183 -109207.0288 299.7603 -161366.3470 -108854.6294 299.0580 179.9953 211.6647 762548.4295 -0.3228 -0.2580 LDB: ============= START OF LOAD BALANCING ============== 3919.4 LDB: ============== END OF LOAD BALANCING =============== 3919.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3919.4 LDB: ============= START OF LOAD BALANCING ============== 3919.72 LDB: Largest compute 7060 load 0.036352 is 18.6% of average load 0.195142 LDB: Average compute 0.004423 is 2.3% of average load 0.195142 LDB: TIME 3919.73 LOAD: AVG 0.195142 MAX 0.216293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.141 MB LDB: TIME 3919.73 LOAD: AVG 0.195142 MAX 0.216293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.141 MB LDB: TIME 3919.73 LOAD: AVG 0.195142 MAX 0.216293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.141 MB LDB: ============== END OF LOAD BALANCING =============== 3919.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3919.73 PRESSURE: 1232400 65.4316 41.9825 34.2233 41.9827 120.107 -4.56793 34.2239 -4.56679 63.5866 GPRESSURE: 1232400 190.257 37.1838 -40.8475 58.6046 68.7741 64.8446 -1.58242 4.46011 51.4482 PRESSAVG: 1232400 27.0278 -4.90416 -26.1803 -4.90409 -41.5431 46.2489 -26.1803 46.2488 -4.13596 GPRESSAVG: 1232400 28.5771 -5.98115 -26.1187 -3.94109 -41.2567 46.2185 -27.734 45.3721 -5.86628 TIMING: 1232400 CPU: 3907.6, 0.00327052/step Wall: 3907.6, 0.00327052/step, 3.42278 hours remaining, 237.265625 MB of memory in use. ENERGY: 1232400 4002.3715 20599.8635 14491.2162 245.6000 -203429.0720 2829.1944 0.0000 0.0000 51914.9605 -109345.8658 298.3560 -161260.8263 -108994.4109 299.5052 83.0419 103.4932 761533.9047 -6.2171 -6.1819 PRESSURE: 1232600 -137.534 -52.4659 -39.2694 -52.4647 -36.6236 -0.503714 -39.2685 -0.502223 -373.401 GPRESSURE: 1232600 -216.118 -15.7445 -93.5183 -104.689 156.822 -13.9329 -30.0678 86.6608 -396.419 PRESSAVG: 1232600 -24.2291 -48.9155 -27.1058 -48.9156 32.5886 19.38 -27.1058 19.3801 18.2025 GPRESSAVG: 1232600 -25.1638 -47.7534 -26.2851 -52.1109 32.928 19.8826 -27.8944 20.3155 18.3899 TIMING: 1232600 CPU: 3908.24, 0.00319542/step Wall: 3908.24, 0.00319542/step, 3.34401 hours remaining, 237.468750 MB of memory in use. ENERGY: 1232600 3923.9764 20575.2257 14456.9870 249.1937 -202949.5921 2317.6558 0.0000 0.0000 52234.5509 -109192.0024 300.1927 -161426.5533 -108829.6799 299.1350 -182.5195 -151.9049 760655.1758 8.8540 8.7180 PRESSURE: 1232800 -134.487 -167.837 -74.256 -167.837 -65.8189 -157.248 -74.2565 -157.248 208.264 GPRESSURE: 1232800 -60.4868 -150.66 -152.222 -198.179 4.75936 -12.835 -14.392 -132.264 161.482 PRESSAVG: 1232800 -5.20572 -41.754 -31.0534 -41.754 8.12836 16.8027 -31.0534 16.8027 -18.4555 GPRESSAVG: 1232800 -5.45856 -41.8438 -32.2168 -39.8958 7.19943 16.0065 -30.8342 16.9992 -17.4691 TIMING: 1232800 CPU: 3908.88, 0.00321598/step Wall: 3908.88, 0.00321598/step, 3.36534 hours remaining, 237.468750 MB of memory in use. ENERGY: 1232800 3972.2726 20405.0139 14498.0278 249.6299 -203049.5385 2288.4586 0.0000 0.0000 52267.7727 -109368.3630 300.3836 -161636.1357 -109000.4192 299.3815 2.6528 35.2513 763312.4153 -5.1776 -5.2427 PRESSURE: 1233000 16.9422 -212.996 -127.397 -212.996 -163.183 -93.212 -127.397 -93.2125 -411.944 GPRESSURE: 1233000 27.6528 -98.3082 -144.504 -95.8389 -129.349 -87.1306 16.9102 -113.502 -366.882 PRESSAVG: 1233000 44.5578 -10.7815 -22.8331 -10.7815 -48.9918 -19.1657 -22.8331 -19.1656 13.0539 GPRESSAVG: 1233000 43.7455 -10.6959 -21.9617 -9.18668 -48.8957 -19.6312 -21.1372 -18.2974 13.9607 TIMING: 1233000 CPU: 3909.52, 0.00322251/step Wall: 3909.52, 0.00322251/step, 3.372 hours remaining, 237.468750 MB of memory in use. ENERGY: 1233000 3977.4747 20458.2931 14491.4170 244.6993 -202693.3396 2295.6861 0.0000 0.0000 51890.6134 -109335.1559 298.2161 -161225.7693 -108972.6731 298.9972 -186.0615 -156.1929 762806.2731 2.8733 2.9368 PRESSURE: 1233200 -103.667 -153.458 148.849 -153.459 -109.578 -40.8556 148.849 -40.8568 -336.325 GPRESSURE: 1233200 -50.5896 -193.068 130.543 -152.763 -93.1197 102.183 92.3778 60.0029 -320.313 PRESSAVG: 1233200 12.5702 -16.3373 -72.7108 -16.3372 -35.2135 -7.81573 -72.7107 -7.81574 -3.40341 GPRESSAVG: 1233200 14.0401 -16.3177 -72.7726 -18.3775 -35.1081 -5.24933 -73.8652 -9.86889 -4.77295 TIMING: 1233200 CPU: 3910.17, 0.00321677/step Wall: 3910.17, 0.00321677/step, 3.36582 hours remaining, 237.468750 MB of memory in use. ENERGY: 1233200 4065.3013 20541.6103 14367.9489 256.5262 -203476.8668 2746.8448 0.0000 0.0000 52238.8059 -109259.8294 300.2171 -161498.6353 -108891.7827 299.0375 -183.1899 -154.6743 761458.3802 -8.6822 -8.6136 PRESSURE: 1233400 -6.66853 -209.167 -150.18 -209.169 -226.089 269.556 -150.181 269.555 -350.795 GPRESSURE: 1233400 -29.1939 -101.125 -140.749 -289.875 -178.277 254.9 -78.6476 250.718 -287.832 PRESSAVG: 1233400 18.73 18.835 1.10578 18.8349 -63.9374 26.7374 1.10578 26.7374 -16.0145 GPRESSAVG: 1233400 19.0548 18.8677 1.13985 20.1804 -64.0701 24.9009 -0.354723 28.7691 -16.0286 TIMING: 1233400 CPU: 3910.81, 0.00320889/step Wall: 3910.81, 0.00320889/step, 3.35739 hours remaining, 237.468750 MB of memory in use. ENERGY: 1233400 3995.3065 20658.3234 14462.3281 235.8478 -203055.0906 2481.1352 0.0000 0.0000 52032.6256 -109189.5240 299.0322 -161222.1496 -108823.8430 299.3017 -194.5175 -165.1010 763361.8513 -20.4073 -20.3480 PRESSURE: 1233600 -99.009 -203.89 -21.5649 -203.891 -258.605 -92.8985 -21.5652 -92.898 525.32 GPRESSURE: 1233600 -125.016 -20.4144 -108.835 -284.122 -174.228 -130.477 129.236 -95.5496 571.423 PRESSAVG: 1233600 15.2529 -64.3166 -36.9014 -64.3167 -44.9428 -15.6933 -36.9014 -15.6933 -7.52921 GPRESSAVG: 1233600 15.414 -62.4555 -38.6486 -67.281 -44.8871 -14.8421 -33.2272 -16.9613 -7.34887 TIMING: 1233600 CPU: 3911.45, 0.00322065/step Wall: 3911.45, 0.00322065/step, 3.36951 hours remaining, 237.468750 MB of memory in use. ENERGY: 1233600 3980.7379 20571.6047 14401.9618 230.2204 -203192.0853 2707.0401 0.0000 0.0000 52032.6807 -109267.8397 299.0325 -161300.5204 -108899.0561 299.5957 55.9021 90.7264 761600.9556 -12.4064 -12.2740 PRESSURE: 1233800 -183.153 -384.885 -65.6684 -384.886 -128.338 173.365 -65.6686 173.364 -142.385 GPRESSURE: 1233800 -152.05 -361.004 -65.9208 -371.899 -111.889 223.049 -35.4233 158.363 -128.365 PRESSAVG: 1233800 72.5377 -24.6226 -58.6905 -24.6226 -27.3781 -26.0441 -58.6905 -26.0442 8.99529 GPRESSAVG: 1233800 71.2002 -27.469 -54.0097 -20.921 -26.7468 -25.8955 -60.9857 -26.3573 9.72784 TIMING: 1233800 CPU: 3912.1, 0.00321932/step Wall: 3912.1, 0.00321932/step, 3.36794 hours remaining, 237.468750 MB of memory in use. ENERGY: 1233800 3977.7238 20524.3730 14368.5253 214.1861 -202904.9097 2256.9180 0.0000 0.0000 52361.1755 -109202.0080 300.9204 -161563.1835 -108842.7953 299.4412 -151.2922 -130.7679 762346.4686 18.0516 18.0604 PRESSURE: 1234000 -316.912 -229.283 2.82375 -229.283 -13.776 -28.8172 2.82392 -28.8173 133.369 GPRESSURE: 1234000 -170.905 -259.396 -9.39698 -169.657 -6.12226 -99.0894 -41.7642 31.635 38.5165 PRESSAVG: 1234000 -14.9718 -53.2505 -14.1968 -53.2505 2.83961 -16.2412 -14.1968 -16.2412 22.7137 GPRESSAVG: 1234000 -15.0761 -52.603 -17.5898 -53.1847 3.20427 -18.2174 -12.8079 -16.0667 22.4297 TIMING: 1234000 CPU: 3912.74, 0.00321377/step Wall: 3912.74, 0.00321377/step, 3.36196 hours remaining, 237.468750 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: 1234000 3953.5675 20338.0847 14409.2609 236.8387 -203034.4158 2557.0998 0.0000 0.0000 52327.7025 -109211.8617 300.7280 -161539.5642 -108839.5475 299.6844 -65.7729 -46.1702 763798.5346 3.5272 3.5193 PRESSURE: 1234200 -35.3161 114.414 -171.404 114.415 -261.234 151.266 -171.403 151.267 -37.4655 GPRESSURE: 1234200 36.5493 21.1989 -139.842 42.2891 -320.581 208.56 -155.99 153.298 53.874 PRESSAVG: 1234200 -0.818532 -49.2635 -63.7314 -49.2636 6.40298 -43.3731 -63.7315 -43.373 -32.3406 GPRESSAVG: 1234200 -0.694783 -48.5075 -62.2207 -51.8581 5.02768 -40.4908 -64.2908 -44.1129 -31.8011 TIMING: 1234200 CPU: 3913.39, 0.00323076/step Wall: 3913.39, 0.00323076/step, 3.37956 hours remaining, 237.468750 MB of memory in use. ENERGY: 1234200 4097.8608 20422.0275 14423.3863 243.9858 -203111.1666 2551.3931 0.0000 0.0000 52240.5193 -109131.9938 300.2270 -161372.5131 -108763.4601 299.8151 -111.3384 -76.7191 761169.2657 -8.9187 -9.1561 PRESSURE: 1234400 341.322 45.4376 124.489 45.4383 238.208 -21.5686 124.489 -21.5687 -151.801 GPRESSURE: 1234400 299.225 72.1806 56.037 -75.951 207.928 -89.4593 255.729 63.0173 -11.7215 PRESSAVG: 1234400 -17.8485 -10.251 11.8669 -10.2511 -13.5604 20.3271 11.8669 20.3271 -2.2067 GPRESSAVG: 1234400 -17.4304 -11.0206 9.10628 -9.35376 -13.4106 19.0068 13.1409 20.9238 -2.55744 TIMING: 1234400 CPU: 3914.03, 0.00320324/step Wall: 3914.03, 0.00320324/step, 3.35059 hours remaining, 237.468750 MB of memory in use. ENERGY: 1234400 4027.6093 20525.8244 14417.6226 257.6808 -203378.8186 2824.5792 0.0000 0.0000 52126.5208 -109198.9814 299.5718 -161325.5023 -108832.0412 299.7127 142.5761 165.1440 760471.4032 -11.2052 -11.1328 PRESSURE: 1234600 22.3267 287.754 -245.759 287.753 -309.964 -120.667 -245.759 -120.667 190.703 GPRESSURE: 1234600 -47.3464 235.031 -238.226 257.285 -190.806 -49.9985 -271.303 -251.737 219.826 PRESSAVG: 1234600 -6.96211 30.5649 -51.1956 30.5648 -6.99573 -37.6059 -51.1956 -37.6059 16.5684 GPRESSAVG: 1234600 -8.64026 29.4158 -50.192 29.9325 -5.23558 -38.8234 -51.2255 -36.8196 16.7116 TIMING: 1234600 CPU: 3914.67, 0.00320276/step Wall: 3914.67, 0.00320276/step, 3.34991 hours remaining, 237.468750 MB of memory in use. ENERGY: 1234600 4005.5389 20513.1068 14397.9354 243.8885 -202712.3736 2404.4985 0.0000 0.0000 52097.3404 -109050.0651 299.4041 -161147.4055 -108684.7074 299.8414 -32.3113 -6.1090 762233.4506 0.8702 0.9452 PRESSURE: 1234800 -44.0783 -22.2402 -155.53 -22.2401 385.519 82.1823 -155.53 82.1817 198.527 GPRESSURE: 1234800 27.3014 -9.23143 -122.312 -40.5503 410.742 67.1043 -148.582 125.488 174.305 PRESSAVG: 1234800 42.7203 -61.9953 -27.0708 -61.9952 14.6448 0.461662 -27.0708 0.461558 11.2207 GPRESSAVG: 1234800 42.8811 -61.5554 -27.9022 -61.3996 13.365 0.510405 -27.0254 -0.0650693 12.1228 TIMING: 1234800 CPU: 3915.31, 0.00321371/step Wall: 3915.31, 0.00321371/step, 3.36119 hours remaining, 237.468750 MB of memory in use. ENERGY: 1234800 4042.6912 20581.5815 14493.7952 246.0900 -203416.6793 2932.0913 0.0000 0.0000 52198.3263 -108922.1038 299.9845 -161120.4301 -108571.6498 300.4172 179.9895 204.1163 762166.2113 22.8619 22.7896 PRESSURE: 1235000 -80.0617 -69.0904 -139.01 -69.0899 -49.6212 242.23 -139.009 242.23 -74.0021 GPRESSURE: 1235000 -0.252625 -50.5435 -175.69 -39.3346 -12.8439 132.276 -43.8192 90.396 -110.128 PRESSAVG: 1235000 0.0530754 1.11197 -45.3874 1.11198 20.5769 -38.6302 -45.3874 -38.6303 -19.0341 GPRESSAVG: 1235000 1.93585 2.86931 -44.2192 1.9402 19.8565 -38.4129 -46.9419 -39.5691 -20.8257 TIMING: 1235000 CPU: 3915.95, 0.00317774/step Wall: 3915.95, 0.00317774/step, 3.32339 hours remaining, 237.468750 MB of memory in use. ENERGY: 1235000 3946.5681 20348.1071 14445.0501 260.1395 -203002.2291 2457.1468 0.0000 0.0000 52576.6065 -108968.6109 302.1585 -161545.2173 -108607.7379 300.0893 -67.8950 -41.0750 760704.3516 0.5320 0.3222 PRESSURE: 1235200 -292.504 104.731 -201.183 104.731 163.138 -117.846 -201.183 -117.845 -22.9658 GPRESSURE: 1235200 -233.858 -1.11457 -218.775 0.491032 159.068 -123.899 -183.461 69.2715 7.25849 PRESSAVG: 1235200 -34.3256 -37.8787 -93.8746 -37.8787 55.9273 25.065 -93.8747 25.065 3.51469 GPRESSAVG: 1235200 -35.1297 -38.4234 -92.3663 -38.7134 55.6932 24.1753 -94.0286 26.0889 4.33093 TIMING: 1235200 CPU: 3916.58, 0.00318244/step Wall: 3916.58, 0.00318244/step, 3.32813 hours remaining, 237.468750 MB of memory in use. ENERGY: 1235200 3998.9989 20542.4641 14426.6134 241.3914 -203017.2816 2488.8662 0.0000 0.0000 52320.0341 -108998.9135 300.6840 -161318.9476 -108623.7456 300.1371 -50.7774 -22.5105 761634.0583 8.3721 8.2981 PRESSURE: 1235400 112.953 151.273 203.855 151.272 -63.9462 -157.485 203.855 -157.485 221.823 GPRESSURE: 1235400 116.693 300.853 116.328 62.7026 -76.6368 -150.676 200.293 -170.292 303.375 PRESSAVG: 1235400 14.7218 -47.2701 -54.0238 -47.2701 -17.8399 -43.8992 -54.0239 -43.8992 -1.76651 GPRESSAVG: 1235400 14.12 -47.2944 -54.1315 -47.3132 -17.274 -42.5507 -55.5507 -44.1762 -1.86456 TIMING: 1235400 CPU: 3917.22, 0.00318497/step Wall: 3917.22, 0.00318497/step, 3.33059 hours remaining, 237.468750 MB of memory in use. ENERGY: 1235400 3966.8726 20582.9464 14443.8927 241.4568 -203053.2203 2458.1211 0.0000 0.0000 52018.4541 -109341.4766 298.9508 -161359.9307 -108969.4488 299.7042 90.2765 114.4770 760242.4773 -1.6282 -1.6728 PRESSURE: 1235600 260.763 52.3118 -155.035 52.3118 98.2315 174.224 -155.036 174.224 -78.8695 GPRESSURE: 1235600 346.187 -89.0565 -43.7564 55.3417 86.0841 142.147 -173.788 -19.191 -78.5534 PRESSAVG: 1235600 38.555 -8.3521 -40.46 -8.35212 -16.1267 -18.6552 -40.4599 -18.6552 13.1715 GPRESSAVG: 1235600 38.7519 -10.1391 -41.6336 -6.97511 -15.9042 -19.9281 -39.8673 -18.8767 13.0494 TIMING: 1235600 CPU: 3917.86, 0.0031876/step Wall: 3917.86, 0.0031876/step, 3.33317 hours remaining, 237.468750 MB of memory in use. ENERGY: 1235600 3998.9743 20640.8345 14379.4795 244.1944 -203049.7189 2508.6333 0.0000 0.0000 51931.2852 -109346.3178 298.4498 -161277.6030 -108983.7322 299.6690 93.3749 117.9060 760704.1036 11.8666 11.9657 PRESSURE: 1235800 298.529 30.7681 33.5282 30.7685 -34.8112 -62.6637 33.5289 -62.6651 -19.8192 GPRESSURE: 1235800 281.846 65.0124 59.5757 103.111 -60.2367 -139.344 102.34 -72.4921 103.597 PRESSAVG: 1235800 39.8602 -12.5431 -87.0378 -12.5431 -25.6623 -1.06445 -87.0379 -1.06442 8.621 GPRESSAVG: 1235800 39.5561 -13.1784 -88.2588 -14.4066 -26.3609 -0.22606 -87.0916 0.188631 9.2839 TIMING: 1235800 CPU: 3918.49, 0.00317671/step Wall: 3918.49, 0.00317671/step, 3.3216 hours remaining, 237.468750 MB of memory in use. ENERGY: 1235800 3952.6950 20516.7854 14386.2513 251.9636 -203546.8109 2784.4397 0.0000 0.0000 52155.3737 -109499.3022 299.7376 -161654.6759 -109130.4142 299.2806 81.2994 108.4019 761507.9841 7.6063 7.4930 PRESSURE: 1236000 54.7171 -100.608 -107.58 -100.608 5.90071 26.1551 -107.58 26.1541 -126.043 GPRESSURE: 1236000 40.3984 6.76492 -77.5 -45.4996 106.163 14.7711 17.5684 -78.4012 -134.175 PRESSAVG: 1236000 12.7854 36.6916 -9.55021 36.6915 -34.9588 -15.941 -9.55024 -15.941 -38.852 GPRESSAVG: 1236000 14.1523 38.17 -7.85223 37.8465 -35.3448 -18.4069 -8.27186 -17.8521 -40.0488 TIMING: 1236000 CPU: 3919.13, 0.00320941/step Wall: 3919.13, 0.00320941/step, 3.35562 hours remaining, 237.468750 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: 1236000 4036.1012 20616.6806 14475.3852 243.6912 -203399.7224 2672.0933 0.0000 0.0000 52200.7803 -109154.9908 299.9986 -161355.7711 -108783.4928 299.7329 -21.8084 4.1285 762713.0225 -20.3418 -20.4138 PRESSURE: 1236200 -252.439 144.671 -96.8285 144.671 -134.366 -156.743 -96.8285 -156.743 154.816 GPRESSURE: 1236200 -158.295 97.3045 -76.63 -93.3284 -117.03 -141.321 -118.973 -40.9965 134.499 PRESSAVG: 1236200 8.07147 18.1782 -30.5396 18.1781 -28.5078 -30.4662 -30.5396 -30.4662 35.9463 GPRESSAVG: 1236200 7.15244 16.1158 -29.0894 18.3764 -27.1365 -28.094 -30.4337 -29.5561 35.383 TIMING: 1236200 CPU: 3919.77, 0.00318626/step Wall: 3919.77, 0.00318626/step, 3.33124 hours remaining, 237.468750 MB of memory in use. ENERGY: 1236200 3979.7340 20614.9718 14370.2369 240.1730 -203193.2476 2646.5447 0.0000 0.0000 52343.7539 -108997.8334 300.8203 -161341.5873 -108643.6929 300.3307 -77.3295 -46.9420 762204.7584 5.1700 5.1330 LDB: ============= START OF LOAD BALANCING ============== 3932.22 LDB: ============== END OF LOAD BALANCING =============== 3932.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3932.23 LDB: ============= START OF LOAD BALANCING ============== 3932.55 LDB: Largest compute 7060 load 0.037713 is 19.3% of average load 0.195103 LDB: Average compute 0.004403 is 2.3% of average load 0.195103 LDB: TIME 3932.55 LOAD: AVG 0.195103 MAX 0.216743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.172 MB LDB: TIME 3932.55 LOAD: AVG 0.195103 MAX 0.216743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.375 MB LDB: TIME 3932.55 LOAD: AVG 0.195103 MAX 0.216743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.375 MB LDB: ============== END OF LOAD BALANCING =============== 3932.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3932.56 PRESSURE: 1236400 -0.850163 -52.0462 -349.927 -52.0455 30.2241 -21.7531 -349.927 -21.7521 106.462 GPRESSURE: 1236400 46.8166 11.9269 -379.473 -29.6847 42.8506 -37.1928 -309.524 -179.229 129.95 PRESSAVG: 1236400 -24.1609 9.55472 -63.858 9.55466 8.27111 -40.9583 -63.858 -40.9583 25.405 GPRESSAVG: 1236400 -23.5737 12.9847 -64.1757 7.55512 6.95693 -40.687 -64.6269 -39.3374 26.0968 TIMING: 1236400 CPU: 3920.42, 0.00324447/step Wall: 3920.42, 0.00324447/step, 3.39192 hours remaining, 237.855469 MB of memory in use. ENERGY: 1236400 4031.2042 20562.3845 14460.1370 230.7897 -203398.2958 2628.0840 0.0000 0.0000 52500.8796 -108984.8168 301.7233 -161485.6963 -108611.6535 300.5409 45.2785 73.2057 761798.2424 3.1717 3.1600 PRESSURE: 1236600 -187.071 16.3468 -138.586 16.3467 -187.09 -120.855 -138.586 -120.856 88.7928 GPRESSURE: 1236600 -255.008 -149.892 -204.1 112.905 -116.004 -46.638 -141.396 -108.545 144.713 PRESSAVG: 1236600 12.0236 31.9064 -30.1534 31.9064 -59.1519 21.069 -30.1534 21.069 0.469456 GPRESSAVG: 1236600 12.1285 31.7826 -29.498 31.7774 -57.9871 19.7679 -31.4159 21.182 -0.0996871 TIMING: 1236600 CPU: 3921.06, 0.00317824/step Wall: 3921.06, 0.00317824/step, 3.3225 hours remaining, 237.855469 MB of memory in use. ENERGY: 1236600 4005.5158 20779.5201 14413.7947 253.0408 -203233.4958 2742.8905 0.0000 0.0000 52097.2509 -108941.4831 299.4036 -161038.7340 -108573.5630 300.2057 -95.1225 -75.4330 764524.0609 -15.5530 -15.3194 PRESSURE: 1236800 100.716 -229.549 49.0915 -229.549 -44.2006 -37.0684 49.0919 -37.0686 -230.36 GPRESSURE: 1236800 241.101 -167.417 4.45653 -162.336 -98.1153 -58.8028 140.285 50.4612 -244.998 PRESSAVG: 1236800 19.4427 -36.9584 -1.13233 -36.9585 -11.4077 -37.9866 -1.13238 -37.9866 1.90748 GPRESSAVG: 1236800 19.1941 -37.1097 -3.12094 -34.8461 -11.4737 -37.6772 0.158392 -38.7585 2.00727 TIMING: 1236800 CPU: 3921.69, 0.0031866/step Wall: 3921.69, 0.0031866/step, 3.33106 hours remaining, 237.855469 MB of memory in use. ENERGY: 1236800 4044.7795 20531.0067 14431.9194 239.9672 -202884.3969 2413.0399 0.0000 0.0000 52089.2724 -109134.4118 299.3578 -161223.6843 -108764.7993 299.9233 -57.9481 -34.0040 763653.2870 3.3142 3.2426 PRESSURE: 1237000 -258.296 -187.404 262.025 -187.404 -22.5228 162.233 262.025 162.232 -239.162 GPRESSURE: 1237000 -140.68 -150.391 174.403 -201.936 -1.50829 84.5011 155.439 49.5915 -293.938 PRESSAVG: 1237000 -6.26523 16.7318 -1.54541 16.7318 -16.6839 -6.87735 -1.54543 -6.87735 -12.3442 GPRESSAVG: 1237000 -5.17806 15.2485 -0.243014 14.3175 -16.0045 -7.13132 -2.28203 -7.04016 -14.0034 TIMING: 1237000 CPU: 3922.33, 0.00319817/step Wall: 3922.33, 0.00319817/step, 3.34298 hours remaining, 237.855469 MB of memory in use. ENERGY: 1237000 4077.3671 20544.1845 14458.6912 244.4055 -203434.7090 2778.1448 0.0000 0.0000 52029.6843 -109302.2317 299.0153 -161331.9160 -108943.7379 299.9730 -173.3268 -145.3755 762332.3511 -11.7644 -11.7286 PRESSURE: 1237200 -201.92 28.9812 217.877 28.9815 51.8954 -123.506 217.877 -123.508 -391.091 GPRESSURE: 1237200 -187.168 -158.076 249.093 4.63251 5.64478 -174.917 111.444 -67.7853 -259.836 PRESSAVG: 1237200 -34.8327 -11.1583 -22.491 -11.1582 -6.63325 -15.9112 -22.4909 -15.9112 0.715885 GPRESSAVG: 1237200 -35.5363 -10.7328 -23.4104 -10.8523 -7.95113 -15.509 -22.9844 -15.5453 2.27275 TIMING: 1237200 CPU: 3922.97, 0.0031843/step Wall: 3922.97, 0.0031843/step, 3.32831 hours remaining, 237.855469 MB of memory in use. ENERGY: 1237200 4048.6259 20595.2461 14392.0069 233.4159 -203028.1720 2462.0371 0.0000 0.0000 52064.6839 -109232.1562 299.2165 -161296.8402 -108867.3667 300.1088 -180.3718 -147.1197 764028.4969 -13.5834 -13.7382 PRESSURE: 1237400 192.824 206.264 -87.1008 206.263 210.382 65.2007 -87.1013 65.2005 184.521 GPRESSURE: 1237400 279.351 236.405 -183.25 214.175 185.032 185.052 150.767 -127.445 202.621 PRESSAVG: 1237400 -35.4456 -4.02822 -2.86288 -4.02826 -5.94313 -25.9173 -2.8629 -25.9173 -14.9677 GPRESSAVG: 1237400 -36.9123 -3.8077 -2.08559 -1.65415 -5.61115 -26.244 -2.89091 -27.0555 -13.6359 TIMING: 1237400 CPU: 3923.6, 0.00316497/step Wall: 3923.6, 0.00316497/step, 3.30792 hours remaining, 237.855469 MB of memory in use. ENERGY: 1237400 3997.6235 20547.2853 14461.1986 242.9231 -203667.9290 2905.1635 0.0000 0.0000 52154.4561 -109359.2790 299.7324 -161513.7350 -109001.0977 299.4385 195.9088 222.3345 760949.8535 -18.7855 -18.7198 PRESSURE: 1237600 -191.155 71.6665 -268.786 71.6664 -405.952 78.5654 -268.787 78.5645 -208.672 GPRESSURE: 1237600 -77.4618 0.125921 -236.712 101.751 -399.539 -8.27865 -230.889 194.566 -238.477 PRESSAVG: 1237600 52.0799 19.0786 -16.9374 19.0786 -36.6878 -37.1316 -16.9374 -37.1317 6.07828 GPRESSAVG: 1237600 53.7596 18.3701 -17.1527 18.2154 -36.3455 -36.6636 -15.8831 -33.2572 4.03924 TIMING: 1237600 CPU: 3924.24, 0.00318356/step Wall: 3924.24, 0.00318356/step, 3.32717 hours remaining, 237.855469 MB of memory in use. ENERGY: 1237600 3975.9200 20595.4637 14436.6457 247.4247 -203156.5565 2494.5817 0.0000 0.0000 52164.9024 -109241.6183 299.7924 -161406.5206 -108878.6243 299.4145 -268.5929 -238.4923 762702.4134 7.1568 7.1511 PRESSURE: 1237800 256.335 182.643 -71.8542 182.643 -487.252 8.10874 -71.8543 8.10758 -78.1468 GPRESSURE: 1237800 192.129 -3.30233 -104.029 145.861 -419.671 -41.1796 20.334 173.592 -17.6851 PRESSAVG: 1237800 43.1838 -30.4255 -1.23329 -30.4255 -41.6982 16.0481 -1.23329 16.0481 3.55123 GPRESSAVG: 1237800 42.2692 -29.2151 -0.228156 -30.0056 -41.7134 16.6232 -3.16545 13.1083 4.33798 TIMING: 1237800 CPU: 3924.87, 0.00317067/step Wall: 3924.87, 0.00317067/step, 3.31352 hours remaining, 237.855469 MB of memory in use. ENERGY: 1237800 4063.5490 20657.2754 14434.0465 257.6718 -203046.8285 2335.4940 0.0000 0.0000 52044.8268 -109253.9650 299.1023 -161298.7919 -108900.5785 299.7468 -103.0212 -81.7421 763008.8053 1.6789 1.6313 PRESSURE: 1238000 -40.6056 -68.3821 -10.1129 -68.3818 -113.478 -55.9445 -10.1129 -55.9429 497.259 GPRESSURE: 1238000 3.37705 -78.6603 34.7978 -102.406 -46.3823 -116.595 -184.456 -105.591 463.426 PRESSAVG: 1238000 40.9262 -8.72927 2.29827 -8.72925 -44.1588 27.3094 2.29834 27.3095 8.7742 GPRESSAVG: 1238000 39.8307 -8.59488 0.777753 -12.5006 -43.7489 25.2993 5.55742 28.1499 8.89293 TIMING: 1238000 CPU: 3925.51, 0.00318423/step Wall: 3925.51, 0.00318423/step, 3.32752 hours remaining, 237.855469 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: 1238000 3883.9273 20522.4651 14334.2157 251.1004 -203100.2013 2545.2391 0.0000 0.0000 52167.7259 -109395.5279 299.8086 -161563.2538 -109026.9618 299.6175 114.3920 140.1402 761618.7933 1.8472 1.6582 PRESSURE: 1238200 -247.177 90.5845 125.468 90.586 -62.9235 138.334 125.468 138.334 421.032 GPRESSURE: 1238200 -203.503 24.0395 176.727 192.518 55.0253 179.978 141.061 131.366 353.069 PRESSAVG: 1238200 21.9244 -35.4673 9.502 -35.4673 -40.5313 -57.7524 9.50194 -57.7523 -9.90153 GPRESSAVG: 1238200 23.4818 -36.5119 9.37983 -31.8486 -41.2484 -57.9333 7.8882 -57.6302 -11.0386 TIMING: 1238200 CPU: 3926.14, 0.00315857/step Wall: 3926.14, 0.00315857/step, 3.30053 hours remaining, 237.855469 MB of memory in use. ENERGY: 1238200 3950.0790 20537.8326 14404.5809 248.3288 -203052.1645 2506.9339 0.0000 0.0000 52209.9973 -109194.4119 300.0516 -161404.4092 -108826.8808 299.5286 36.9772 68.1969 761736.4526 -9.5028 -9.6017 PRESSURE: 1238400 280.336 -139.868 213.418 -139.868 189.148 -149.082 213.417 -149.082 226.257 GPRESSURE: 1238400 324.034 -73.1886 127.659 -170.15 158.3 -29.5343 307.187 -49.7985 295.119 PRESSAVG: 1238400 8.71092 3.43659 29.4641 3.43659 -25.8647 -10.1573 29.4641 -10.1574 29.7563 GPRESSAVG: 1238400 8.09185 3.19455 29.0406 1.57449 -25.8273 -9.47577 31.291 -10.645 30.4563 TIMING: 1238400 CPU: 3926.77, 0.00316246/step Wall: 3926.77, 0.00316246/step, 3.30442 hours remaining, 237.855469 MB of memory in use. ENERGY: 1238400 4045.6643 20523.7478 14418.0274 247.4332 -203249.9718 2806.4465 0.0000 0.0000 51898.3441 -109310.3085 298.2605 -161208.6527 -108954.4374 299.7777 231.9135 259.1510 761083.4442 4.2008 4.2403 PRESSURE: 1238600 -102.134 -72.6886 -119.129 -72.6878 -228.374 37.7339 -119.13 37.7327 205.463 GPRESSURE: 1238600 -176.759 -143.606 -93.8534 -142.061 -146.857 17.9515 -73.7782 29.4059 284.915 PRESSAVG: 1238600 76.2562 -23.1071 -12.242 -23.107 -30.6571 8.62723 -12.2419 8.62729 20.3058 GPRESSAVG: 1238600 76.0229 -21.6443 -10.942 -22.8441 -30.411 9.54048 -14.3995 7.42813 21.0973 TIMING: 1238600 CPU: 3927.41, 0.00316619/step Wall: 3927.41, 0.00316619/step, 3.30814 hours remaining, 237.855469 MB of memory in use. ENERGY: 1238600 4054.3368 20259.0728 14489.1635 242.3900 -203325.1127 2744.1818 0.0000 0.0000 52111.4828 -109424.4850 299.4854 -161535.9678 -109062.7749 299.1722 -41.6818 -12.9004 762352.1036 21.9683 22.2364 PRESSURE: 1238800 -377.172 20.2782 33.7801 20.2773 -90.2017 14.9715 33.7794 14.9713 -560.302 GPRESSURE: 1238800 -302.082 30.115 -61.7209 26.8687 -152.074 -84.2387 255.183 49.3047 -494.755 PRESSAVG: 1238800 55.6083 -17.9895 14.844 -17.9895 -38.0021 -6.53304 14.844 -6.53307 7.09567 GPRESSAVG: 1238800 55.9791 -17.7123 15.8338 -18.0435 -37.3088 -7.30307 16.1784 -5.83164 6.75559 TIMING: 1238800 CPU: 3928.04, 0.00317148/step Wall: 3928.04, 0.00317148/step, 3.31349 hours remaining, 237.855469 MB of memory in use. ENERGY: 1238800 4036.6113 20391.1265 14358.8132 247.0099 -202937.4618 2542.3712 0.0000 0.0000 51908.9326 -109452.5970 298.3213 -161361.5296 -109093.2423 298.7047 -342.5586 -316.3037 763504.9775 8.2339 8.4753 PRESSURE: 1239000 -360.972 -95.3509 -252.485 -95.3499 -327.118 -8.07597 -252.485 -8.07612 139.069 GPRESSURE: 1239000 -286.667 -17.1805 -216.737 -39.9264 -244.947 12.104 -285.86 -130.543 55.9909 PRESSAVG: 1239000 23.525 -10.1592 -39.8791 -10.1591 -23.9489 24.7285 -39.8791 24.7285 18.5481 GPRESSAVG: 1239000 23.4431 -10.1377 -40.3445 -8.2984 -24.232 26.058 -40.9873 25.1453 18.5806 TIMING: 1239000 CPU: 3928.68, 0.00319307/step Wall: 3928.68, 0.00319307/step, 3.33587 hours remaining, 237.855469 MB of memory in use. ENERGY: 1239000 3983.2404 20371.5319 14395.2262 245.5776 -202856.4552 2430.4114 0.0000 0.0000 52110.2457 -109320.2219 299.4783 -161430.4676 -108950.7311 298.8359 -183.0069 -158.5411 762241.9615 6.0414 5.9306 PRESSURE: 1239200 -66.8164 -68.7599 -113.637 -68.762 -218.431 22.6024 -113.637 22.6036 130.758 GPRESSURE: 1239200 -63.0336 -123.522 -193.56 -166.595 -213.936 37.5904 -102.073 3.75484 193.087 PRESSAVG: 1239200 26.2852 41.7245 0.131086 41.7245 -19.6744 24.2594 0.131071 24.2593 -26.6343 GPRESSAVG: 1239200 25.7644 40.6105 0.580331 40.8284 -19.3437 23.7756 0.408209 24.1403 -26.2955 TIMING: 1239200 CPU: 3929.32, 0.00318757/step Wall: 3929.32, 0.00318757/step, 3.32995 hours remaining, 237.855469 MB of memory in use. ENERGY: 1239200 4054.3954 20420.5660 14496.3325 251.8877 -203645.6368 2863.7779 0.0000 0.0000 52105.1549 -109453.5223 299.4490 -161558.6772 -109075.2409 298.7749 -51.4965 -27.9608 761879.8384 -6.6745 -6.6250 PRESSURE: 1239400 -149.598 39.0515 -70.8232 39.0516 -130.745 -63.3425 -70.8225 -63.3444 214.087 GPRESSURE: 1239400 -79.4037 17.2176 -49.8193 145.381 -76.0979 -41.588 -46.3969 78.8882 183.668 PRESSAVG: 1239400 -17.751 -23.7526 -35.98 -23.7526 10.1249 2.84048 -35.98 2.84053 -11.5271 GPRESSAVG: 1239400 -17.1522 -23.9075 -34.7265 -23.1072 9.17224 1.65701 -36.5292 4.04873 -10.8232 TIMING: 1239400 CPU: 3929.96, 0.00320732/step Wall: 3929.96, 0.00320732/step, 3.3504 hours remaining, 237.855469 MB of memory in use. ENERGY: 1239400 4068.3951 20452.3713 14453.0497 250.5094 -203346.4262 2766.4798 0.0000 0.0000 52077.0984 -109278.5226 299.2878 -161355.6210 -108926.1027 298.9936 -22.0852 9.3888 763520.7811 -6.3844 -6.2677 PRESSURE: 1239600 -199.535 60.868 146.43 60.8684 -249.624 -22.1348 146.431 -22.1331 -260.613 GPRESSURE: 1239600 -105.971 102.52 106.954 144.916 -233.238 -85.0429 145.472 -140.106 -294.345 PRESSAVG: 1239600 1.99237 28.155 5.24918 28.155 42.3832 32.6623 5.24912 32.6623 35.4067 GPRESSAVG: 1239600 2.52302 26.5801 3.89322 29.6342 43.6562 32.62 6.01532 30.6913 33.3459 TIMING: 1239600 CPU: 3930.6, 0.00321455/step Wall: 3930.6, 0.00321455/step, 3.35778 hours remaining, 237.855469 MB of memory in use. ENERGY: 1239600 4011.2767 20503.2496 14449.4996 252.4444 -203064.4332 2468.3848 0.0000 0.0000 52014.6832 -109364.8949 298.9291 -161379.5781 -108999.2196 299.3555 -236.5906 -211.1848 763775.5360 26.5941 26.5084 PRESSURE: 1239800 -406.983 -30.9318 -210.782 -30.9314 -19.8141 -24.7735 -210.781 -24.7729 -311.178 GPRESSURE: 1239800 -355.454 55.6168 -253.835 -126.269 -8.83217 24.6534 -163.497 73.5714 -274.59 PRESSAVG: 1239800 -11.2879 -32.0703 0.961012 -32.0703 -30.7153 2.06491 0.961021 2.06479 -6.71375 GPRESSAVG: 1239800 -11.1771 -29.5029 1.93873 -32.8528 -31.8972 1.91775 0.919965 4.65855 -5.86094 TIMING: 1239800 CPU: 3931.25, 0.00322639/step Wall: 3931.25, 0.00322639/step, 3.36996 hours remaining, 237.855469 MB of memory in use. ENERGY: 1239800 3977.9143 20321.9228 14456.0848 251.7878 -203040.5233 2540.3180 0.0000 0.0000 52023.6939 -109468.8017 298.9809 -161492.4956 -109104.2522 298.8148 -245.9916 -212.9587 763452.7498 -16.2390 -16.3118 PRESSURE: 1240000 -521.359 6.36127 -54.0283 6.36137 -393.13 51.3169 -54.0278 51.3173 -534.994 GPRESSURE: 1240000 -593.853 -52.0034 -58.1156 -10.4788 -325.69 74.0376 15.9556 -100.978 -451.75 PRESSAVG: 1240000 -12.8259 -18.39 -6.87153 -18.39 42.0171 27.4976 -6.87153 27.4976 11.1678 GPRESSAVG: 1240000 -13.6482 -20.3581 -7.49707 -20.0463 41.6461 28.9762 -8.75513 25.8435 12.3875 TIMING: 1240000 CPU: 3931.89, 0.00320473/step Wall: 3931.89, 0.00320473/step, 3.34716 hours remaining, 237.855469 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: 1240000 3965.2485 20563.8232 14416.6260 257.3813 -203039.1092 2273.3310 0.0000 0.0000 52007.0143 -109555.6850 298.8850 -161562.6993 -109198.4876 298.4246 -483.1610 -457.0974 762422.9048 13.4530 13.4618 PRESSURE: 1240200 -378.879 -200.43 8.16038 -200.43 39.748 -214.911 8.16097 -214.911 -117.35 GPRESSURE: 1240200 -319.254 -81.7944 46.3799 -104.832 76.7114 -204.449 38.6676 -232.286 -118.83 PRESSAVG: 1240200 -68.5606 -74.0445 -1.83823 -74.0445 49.6328 -28.8593 -1.83824 -28.8594 -20.7445 GPRESSAVG: 1240200 -66.4636 -71.9523 -1.22562 -72.1074 49.4429 -29.5973 1.15744 -29.405 -22.5957 TIMING: 1240200 CPU: 3932.53, 0.00318625/step Wall: 3932.53, 0.00318625/step, 3.32768 hours remaining, 237.855469 MB of memory in use. ENERGY: 1240200 4049.4292 20411.0530 14436.1577 256.6497 -203005.8306 2528.2384 0.0000 0.0000 51777.5121 -109546.7905 297.5661 -161324.3026 -109184.2780 298.9819 -152.1603 -120.4576 763695.3165 -13.2241 -13.2055 LDB: ============= START OF LOAD BALANCING ============== 3944.98 LDB: ============== END OF LOAD BALANCING =============== 3944.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3944.98 LDB: ============= START OF LOAD BALANCING ============== 3945.3 LDB: Largest compute 7059 load 0.035531 is 18.2% of average load 0.195054 LDB: Average compute 0.004421 is 2.3% of average load 0.195054 LDB: TIME 3945.3 LOAD: AVG 0.195054 MAX 0.213775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.855 MB LDB: TIME 3945.3 LOAD: AVG 0.195054 MAX 0.213775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.059 MB LDB: TIME 3945.3 LOAD: AVG 0.195054 MAX 0.213775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.059 MB LDB: ============== END OF LOAD BALANCING =============== 3945.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3945.31 PRESSURE: 1240400 -109.262 -216.487 104.596 -216.487 -261.629 -47.2016 104.597 -47.2021 -82.32 GPRESSURE: 1240400 -93.1111 -199.884 122.876 -252.124 -157.063 -52.1321 124.089 -69.5979 -96.1926 PRESSAVG: 1240400 -80.8417 -10.3949 33.1609 -10.3949 36.9448 -73.1403 33.1609 -73.1402 -23.7992 GPRESSAVG: 1240400 -82.2248 -10.2875 32.9012 -11.8534 38.2484 -70.8173 30.3298 -74.1781 -23.7037 TIMING: 1240400 CPU: 3933.17, 0.00323906/step Wall: 3933.17, 0.00323906/step, 3.38266 hours remaining, 238.882812 MB of memory in use. ENERGY: 1240400 3952.4872 20379.5142 14419.8879 258.2291 -202840.4375 2272.5189 0.0000 0.0000 52113.9806 -109443.8196 299.4998 -161557.8002 -109069.1727 298.6807 -151.0703 -115.4555 763674.9561 -22.5654 -22.5601 PRESSURE: 1240600 358.887 50.0928 -74.5783 50.0939 -21.6409 70.0987 -74.578 70.0993 -37.1522 GPRESSURE: 1240600 293.163 28.1302 -154.282 38.6964 85.1984 15.5602 -51.0033 95.8771 -12.5027 PRESSAVG: 1240600 14.4629 21.1544 -17.9118 21.1544 19.871 16.3404 -17.9118 16.3404 15.9559 GPRESSAVG: 1240600 14.3354 22.284 -18.4151 20.6499 19.0817 15.3982 -15.9154 17.436 16.7275 TIMING: 1240600 CPU: 3933.82, 0.00321053/step Wall: 3933.82, 0.00321053/step, 3.35269 hours remaining, 238.953125 MB of memory in use. ENERGY: 1240600 3895.5917 20394.8459 14497.4097 241.4062 -203497.5473 2713.4275 0.0000 0.0000 51951.4177 -109803.4486 298.5655 -161754.8663 -109441.9437 298.7419 100.0315 121.9530 759890.9931 16.7633 16.7149 PRESSURE: 1240800 -11.1727 -123.82 129.041 -123.821 -116.705 175.178 129.041 175.177 -97.2471 GPRESSURE: 1240800 70.7254 -199.272 24.9869 -134.193 -148.043 204.785 94.1805 45.1916 -42.7026 PRESSAVG: 1240800 -42.1043 30.2926 -1.77453 30.2926 46.4522 60.8557 -1.77455 60.8556 -3.69843 GPRESSAVG: 1240800 -40.1502 27.779 -0.105904 32.4612 47.0282 60.6994 -1.97782 59.0893 -6.48971 TIMING: 1240800 CPU: 3934.45, 0.00319252/step Wall: 3934.45, 0.00319252/step, 3.3337 hours remaining, 238.953125 MB of memory in use. ENERGY: 1240800 3971.5807 20330.7507 14387.5006 252.6739 -203174.7759 2607.8795 0.0000 0.0000 51763.6672 -109860.7234 297.4865 -161624.3906 -109502.6827 297.6191 -75.0416 -40.0068 762386.0258 0.2165 0.1294 PRESSURE: 1241000 -45.6421 6.81993 211.706 6.81971 127.759 -67.8418 211.706 -67.8407 286.334 GPRESSURE: 1241000 -25.5592 10.8756 217.579 4.36198 58.3897 -46.7992 297.857 -35.2348 410.074 PRESSAVG: 1241000 -13.3237 14.2741 58.8767 14.2741 -3.15635 26.6079 58.8767 26.6079 -3.42449 GPRESSAVG: 1241000 -14.6754 16.1965 58.4598 12.9969 -3.74628 26.2171 59.0167 28.3061 -1.33705 TIMING: 1241000 CPU: 3935.09, 0.00316955/step Wall: 3935.09, 0.00316955/step, 3.30954 hours remaining, 238.953125 MB of memory in use. ENERGY: 1241000 3977.4657 20530.0101 14380.0127 246.4235 -203230.7253 2581.7177 0.0000 0.0000 51863.7733 -109651.3222 298.0618 -161515.0956 -109293.2506 297.8429 122.8168 147.6349 761497.5915 -6.6348 -6.5862 PRESSURE: 1241200 -151.708 -63.0509 -39.655 -63.0505 72.5717 80.7484 -39.6551 80.7479 135.235 GPRESSURE: 1241200 -90.2507 -115.564 -78.9617 25.2174 6.6051 138.562 -71.1652 144.242 219.247 PRESSAVG: 1241200 -30.6681 -30.1703 37.7505 -30.1703 -6.54847 32.5059 37.7505 32.506 -1.74861 GPRESSAVG: 1241200 -30.1765 -32.1218 37.9867 -30.3985 -6.70944 31.8904 37.5867 33.8384 -1.97978 TIMING: 1241200 CPU: 3935.73, 0.003191/step Wall: 3935.73, 0.003191/step, 3.33176 hours remaining, 238.953125 MB of memory in use. ENERGY: 1241200 4065.9346 20634.7874 14429.2333 262.3800 -203316.7335 2574.7163 0.0000 0.0000 51972.1353 -109377.5465 298.6846 -161349.6819 -109029.2929 298.6714 18.6996 45.2005 762509.2465 -12.9884 -12.9553 PRESSURE: 1241400 -37.5649 69.4638 -171.833 69.4634 326.729 -69.0142 -171.832 -69.0151 -93.9851 GPRESSURE: 1241400 64.6411 35.4719 -140.825 67.7393 248.705 -34.8523 12.6751 -36.7074 -40.6235 PRESSAVG: 1241400 -53.7847 -43.5881 14.2562 -43.588 63.4442 10.9202 14.2562 10.9201 10.8263 GPRESSAVG: 1241400 -53.0008 -42.5838 13.4288 -42.5034 63.2457 11.1959 16.3841 13.6143 10.1831 TIMING: 1241400 CPU: 3936.36, 0.00318663/step Wall: 3936.36, 0.00318663/step, 3.32702 hours remaining, 238.953125 MB of memory in use. ENERGY: 1241400 3933.4442 20401.6422 14471.6619 246.3612 -203411.7453 2914.4514 0.0000 0.0000 52052.8868 -109391.2976 299.1487 -161444.1844 -109024.9165 299.5327 65.0596 90.9074 762934.6860 6.8286 6.8093 PRESSURE: 1241600 -152.426 113.836 151.168 113.837 110.692 71.8792 151.169 71.8785 23.2513 GPRESSURE: 1241600 -112.085 -30.3274 107.113 284.62 183.866 46.3093 202.003 119.481 -7.24127 PRESSAVG: 1241600 -4.53644 37.4426 41.4006 37.4426 55.6602 14.5788 41.4005 14.5789 -3.16814 GPRESSAVG: 1241600 -6.91862 36.6677 43.3895 38.8324 56.7324 15.0911 39.7604 11.3495 -1.90918 TIMING: 1241600 CPU: 3937.01, 0.00320773/step Wall: 3937.01, 0.00320773/step, 3.34887 hours remaining, 238.953125 MB of memory in use. ENERGY: 1241600 4008.9037 20432.4557 14435.2584 236.6905 -203261.7251 2765.5315 0.0000 0.0000 51786.8959 -109595.9894 297.6200 -161382.8853 -109231.8022 298.7090 -6.1611 21.5132 762644.7411 15.9852 15.9682 PRESSURE: 1241800 233.151 241.227 91.9865 241.227 30.8842 119.498 91.985 119.499 -186.89 GPRESSURE: 1241800 305.176 277.665 78.6431 134.745 42.5293 176.628 48.2813 146.644 -183.757 PRESSAVG: 1241800 26.2914 2.853 18.8933 2.85305 -15.4194 -31.9469 18.8932 -31.9469 7.73592 GPRESSAVG: 1241800 28.2413 2.84269 15.9859 -0.405546 -15.4246 -32.1507 19.4193 -33.4696 5.69889 TIMING: 1241800 CPU: 3937.65, 0.00321869/step Wall: 3937.65, 0.00321869/step, 3.36013 hours remaining, 238.953125 MB of memory in use. ENERGY: 1241800 3956.5377 20673.1046 14551.5313 249.0335 -203679.7945 2640.4139 0.0000 0.0000 51925.7725 -109683.4011 298.4181 -161609.1736 -109329.9214 298.7733 25.7152 54.6494 760118.6822 6.2026 6.1719 PRESSURE: 1242000 130.975 4.4412 50.6397 4.44147 -201.873 51.9165 50.64 51.9173 270.639 GPRESSURE: 1242000 188.359 47.1177 13.6187 75.9201 -108.369 26.5392 19.3383 -45.0991 190.909 PRESSAVG: 1242000 37.5584 -21.5814 43.3992 -21.5814 15.2505 45.2123 43.3992 45.2123 7.67485 GPRESSAVG: 1242000 37.1394 -19.1957 44.6839 -21.9951 14.4732 46.6696 41.977 44.3482 8.55961 TIMING: 1242000 CPU: 3938.29, 0.00319599/step Wall: 3938.29, 0.00319599/step, 3.33626 hours remaining, 238.953125 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: 1242000 3971.1692 20601.8319 14400.1262 263.6971 -203689.0733 2928.2901 0.0000 0.0000 51898.9624 -109624.9963 298.2641 -161523.9588 -109261.5852 298.5392 66.5801 90.2998 761389.3099 20.1613 20.0574 PRESSURE: 1242200 70.3774 161.286 70.2017 161.286 1.88773 112.724 70.2021 112.725 27.7017 GPRESSURE: 1242200 56.2462 99.7216 35.6212 199.191 64.816 43.3865 99.0179 78.7034 74.3464 PRESSAVG: 1242200 33.9328 -8.67813 43.1239 -8.67817 -58.5767 17.5134 43.1239 17.5134 -2.43149 GPRESSAVG: 1242200 33.396 -11.4779 43.4374 -7.68147 -59.0957 16.5019 44.2809 17.4535 -1.69868 TIMING: 1242200 CPU: 3938.93, 0.0032055/step Wall: 3938.93, 0.0032055/step, 3.34601 hours remaining, 238.953125 MB of memory in use. ENERGY: 1242200 4008.4328 20456.2393 14460.5681 254.2409 -203944.8252 3101.7487 0.0000 0.0000 52027.3481 -109636.2473 299.0019 -161663.5955 -109274.9474 298.7690 33.3223 65.1362 762762.5955 -9.0251 -9.1328 PRESSURE: 1242400 124.566 -9.03927 -222.499 -9.03913 369.764 -48.8952 -222.499 -48.8943 181.652 GPRESSURE: 1242400 161.184 -13.1041 -117.908 -164.96 426.668 -20.4729 -324.34 -113.832 195.206 PRESSAVG: 1242400 78.4043 -31.1492 16.9869 -31.1492 -108.321 -16.9125 16.9869 -16.9124 9.90648 GPRESSAVG: 1242400 79.3223 -28.4954 16.1885 -31.3993 -107.875 -16.8576 16.3817 -14.9235 8.605 TIMING: 1242400 CPU: 3939.57, 0.00319261/step Wall: 3939.57, 0.00319261/step, 3.33238 hours remaining, 238.953125 MB of memory in use. ENERGY: 1242400 3982.8186 20585.7335 14475.0745 273.6459 -203919.3707 3038.2686 0.0000 0.0000 51930.4057 -109633.4241 298.4448 -161563.8297 -109278.8008 298.6469 225.3272 261.0196 761994.8309 -6.6701 -6.6493 PRESSURE: 1242600 46.0152 -146.328 15.2626 -146.329 -293.231 112.003 15.2626 112.003 82.0545 GPRESSURE: 1242600 107.925 -186.497 47.9111 29.9177 -300.389 187.589 17.086 112.798 108.75 PRESSAVG: 1242600 5.18314 -20.3884 32.2467 -20.3884 10.25 0.192798 32.2466 0.192761 13.8019 GPRESSAVG: 1242600 4.58284 -21.7538 32.4842 -16.8941 10.3404 0.556756 31.247 0.000207788 14.1565 TIMING: 1242600 CPU: 3940.21, 0.0031856/step Wall: 3940.21, 0.0031856/step, 3.32488 hours remaining, 238.953125 MB of memory in use. ENERGY: 1242600 4038.1561 20402.8483 14473.0424 229.7873 -203507.1205 2723.6562 0.0000 0.0000 51904.1488 -109735.4814 298.2939 -161639.6302 -109374.2468 298.5201 -55.0538 -27.9046 763662.7593 9.7450 9.6932 PRESSURE: 1242800 100.458 -47.1171 116.181 -47.1171 -322.813 280.67 116.181 280.669 -196.926 GPRESSURE: 1242800 99.6329 36.1469 181.361 -139.896 -254.522 306.214 78.4962 309.941 -171.929 PRESSAVG: 1242800 54.3229 -27.2073 13.9863 -27.2072 -75.2463 58.8868 13.9863 58.8869 -12.3961 GPRESSAVG: 1242800 54.2701 -27.1126 13.2278 -29.6166 -75.8381 58.1549 16.027 57.2625 -11.787 TIMING: 1242800 CPU: 3940.84, 0.00318182/step Wall: 3940.84, 0.00318182/step, 3.32076 hours remaining, 238.953125 MB of memory in use. ENERGY: 1242800 3984.3863 20486.5091 14360.7783 257.9309 -203512.6556 2593.3394 0.0000 0.0000 51974.1540 -109855.5576 298.6962 -161829.7116 -109497.0339 298.1139 -139.7600 -108.9395 762750.2083 -11.1065 -11.1183 PRESSURE: 1243000 -320.025 142.026 -167.459 142.026 84.0691 36.0255 -167.459 36.0257 82.4163 GPRESSURE: 1243000 -225.198 90.0185 -211.402 181.247 87.7832 -29.3439 -157.294 95.7068 51.2226 PRESSAVG: 1243000 23.8215 23.0774 -0.253089 23.0775 -45.3164 68.9929 -0.253063 68.9929 3.70932 GPRESSAVG: 1243000 23.5596 23.1254 -0.0168524 21.8914 -45.1417 69.1411 -2.97206 71.5349 3.35114 TIMING: 1243000 CPU: 3941.47, 0.00315702/step Wall: 3941.47, 0.00315702/step, 3.2947 hours remaining, 238.953125 MB of memory in use. ENERGY: 1243000 3920.0768 20551.8335 14436.5029 241.7936 -203241.7262 2581.2334 0.0000 0.0000 51673.9846 -109836.3014 296.9711 -161510.2860 -109462.7417 297.7877 -51.1797 -28.7306 762287.7543 -5.9285 -6.0770 PRESSURE: 1243200 -316.36 38.0739 90.6299 38.0743 -93.0175 329.999 90.6305 329.999 -392.882 GPRESSURE: 1243200 -248.828 121.403 92.8832 43.4048 -106.654 304.035 75.3185 311.041 -369.978 PRESSAVG: 1243200 -17.2787 2.67337 17.8279 2.67337 -5.25136 20.4006 17.8279 20.4006 -8.10593 GPRESSAVG: 1243200 -17.324 2.10744 19.5081 2.85916 -4.70485 19.4964 19.1047 22.1802 -8.48114 TIMING: 1243200 CPU: 3942.11, 0.00317429/step Wall: 3942.11, 0.00317429/step, 3.31255 hours remaining, 238.953125 MB of memory in use. ENERGY: 1243200 3968.3479 20570.8529 14424.9502 250.2451 -203129.9892 2362.1942 0.0000 0.0000 51704.0001 -109849.3989 297.1436 -161553.3990 -109486.9650 298.1155 -267.4197 -241.8197 762598.7416 -10.2120 -10.1700 PRESSURE: 1243400 26.93 -194.442 80.7449 -194.442 -216.505 155.001 80.7451 155.002 283.366 GPRESSURE: 1243400 82.3991 1.20894 101.054 -170.334 -201.672 162.414 98.9606 162.594 311.195 PRESSAVG: 1243400 2.56728 25.9338 54.5907 25.9338 24.515 61.832 54.5908 61.832 -13.4988 GPRESSAVG: 1243400 1.69014 25.4662 53.1735 28.6185 23.9 63.0594 56.7785 56.5678 -11.9746 TIMING: 1243400 CPU: 3942.75, 0.00318874/step Wall: 3942.75, 0.00318874/step, 3.32745 hours remaining, 238.953125 MB of memory in use. ENERGY: 1243400 3955.0308 20408.7722 14399.4447 255.2985 -203714.0935 2786.9561 0.0000 0.0000 52222.8133 -109685.7779 300.1252 -161908.5912 -109328.6321 298.4046 31.2638 63.9739 761867.8981 4.5278 4.5385 PRESSURE: 1243600 -243.744 292.578 -193.118 292.578 -367.738 11.9474 -193.118 11.9474 -450.003 GPRESSURE: 1243600 -101.314 303.365 -246.828 197.136 -391.045 19.5056 -92.2477 -53.4104 -464.104 PRESSAVG: 1243600 37.5588 -15.7336 15.9289 -15.7336 7.74774 55.8021 15.9289 55.8021 4.30836 GPRESSAVG: 1243600 37.6429 -16.5392 14.7485 -18.3703 8.35285 53.8909 14.1315 59.1241 3.34541 TIMING: 1243600 CPU: 3943.38, 0.00319575/step Wall: 3943.38, 0.00319575/step, 3.33459 hours remaining, 238.953125 MB of memory in use. ENERGY: 1243600 4014.6814 20542.6716 14410.5108 252.7787 -203503.9905 2828.2115 0.0000 0.0000 51854.9768 -109600.1596 298.0113 -161455.1364 -109243.3122 298.7993 -353.8287 -318.8210 762677.4219 16.5383 16.4471 PRESSURE: 1243800 -226.765 -37.486 -8.40278 -37.4858 -98.0722 -93.8425 -8.40241 -93.8428 -188.273 GPRESSURE: 1243800 -220.558 -106.996 -41.0824 -57.6233 -60.2689 -30.5497 -12.9381 -148.997 -138.431 PRESSAVG: 1243800 -13.2416 -53.4792 -39.7704 -53.4792 -1.36332 28.0421 -39.7704 28.0421 -1.55524 GPRESSAVG: 1243800 -11.7003 -49.9496 -38.1561 -54.7243 -2.50511 30.1561 -41.1095 27.0944 -1.78234 TIMING: 1243800 CPU: 3944.02, 0.00318083/step Wall: 3944.02, 0.00318083/step, 3.31884 hours remaining, 238.953125 MB of memory in use. ENERGY: 1243800 3878.3467 20413.0410 14417.5602 226.5277 -202923.6512 2502.5371 0.0000 0.0000 51667.4544 -109818.1841 296.9336 -161485.6385 -109453.7288 298.1619 -171.0365 -139.7526 763496.1062 -5.3867 -5.3293 PRESSURE: 1244000 -4.41947 175.495 -166.223 175.494 81.4546 -420.683 -166.224 -420.682 402.944 GPRESSURE: 1244000 -86.1631 118.75 -184.374 90.3209 164.066 -357.663 -226.103 -282.26 485.385 PRESSAVG: 1244000 -52.3191 -53.7414 -27.8424 -53.7414 -3.6511 -23.2914 -27.8425 -23.2914 -6.99013 GPRESSAVG: 1244000 -53.6826 -57.5821 -27.2102 -52.6115 -2.03293 -23.9612 -28.0802 -23.0993 -7.1007 TIMING: 1244000 CPU: 3944.66, 0.00318836/step Wall: 3944.66, 0.00318836/step, 3.32652 hours remaining, 238.953125 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: 1244000 3901.2925 20599.9483 14470.8884 261.1575 -203768.3892 3048.4541 0.0000 0.0000 51788.9848 -109697.6637 297.6320 -161486.6485 -109346.9861 297.9491 159.9932 187.7628 763149.2186 -20.9868 -20.9387 PRESSURE: 1244200 -225.614 -22.9548 83.269 -22.9547 -116.699 80.5289 83.2688 80.5289 -359.372 GPRESSURE: 1244200 -150.123 -110.471 187.737 8.43211 -188.571 68.9376 59.041 139.877 -273.333 PRESSAVG: 1244200 -2.48244 -35.4092 -30.779 -35.4092 -39.6516 -11.5533 -30.7789 -11.5533 -4.7645 GPRESSAVG: 1244200 -1.97784 -34.7493 -31.7039 -33.0772 -40.6224 -11.9895 -29.1804 -13.0374 -4.52749 TIMING: 1244200 CPU: 3945.3, 0.00320299/step Wall: 3945.3, 0.00320299/step, 3.34161 hours remaining, 238.953125 MB of memory in use. ENERGY: 1244200 4069.7734 20566.8699 14454.4246 261.4881 -203241.8872 2488.5539 0.0000 0.0000 51697.2835 -109703.4937 297.1050 -161400.7773 -109345.1600 298.3422 -233.8952 -204.0089 764199.1734 -15.6329 -15.7092 LDB: ============= START OF LOAD BALANCING ============== 3957.76 LDB: ============== END OF LOAD BALANCING =============== 3957.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3957.76 LDB: ============= START OF LOAD BALANCING ============== 3958.08 LDB: Largest compute 7060 load 0.037520 is 19.2% of average load 0.195022 LDB: Average compute 0.004405 is 2.3% of average load 0.195022 LDB: TIME 3958.08 LOAD: AVG 0.195022 MAX 0.214875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.402 MB LDB: TIME 3958.08 LOAD: AVG 0.195022 MAX 0.214875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: TIME 3958.08 LOAD: AVG 0.195022 MAX 0.214875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.402 MB LDB: ============== END OF LOAD BALANCING =============== 3958.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3958.09 PRESSURE: 1244400 46.3345 23.2385 -39.62 23.2387 65.4928 -336.434 -39.6209 -336.435 -226.614 GPRESSURE: 1244400 30.7475 -3.93577 -55.8607 -77.346 131.135 -124.081 105.153 -273.012 -192.972 PRESSAVG: 1244400 -71.4213 -40.8749 -11.2638 -40.8749 25.3499 -2.31934 -11.2638 -2.31931 7.05468 GPRESSAVG: 1244400 -71.6204 -39.44 -10.8519 -42.6842 25.8287 -2.4362 -10.4793 -1.70526 6.64316 TIMING: 1244400 CPU: 3945.95, 0.00326648/step Wall: 3945.95, 0.00326648/step, 3.40767 hours remaining, 238.113281 MB of memory in use. ENERGY: 1244400 3978.1701 20273.5146 14454.6563 238.9289 -202924.5246 2462.5684 0.0000 0.0000 51646.1766 -109870.5096 296.8113 -161516.6862 -109510.5690 298.3429 -38.2621 -10.3633 763435.8117 -13.0056 -13.0495 PRESSURE: 1244600 -269.406 -201.03 -133.543 -201.03 -166.169 102.088 -133.543 102.089 86.1711 GPRESSURE: 1244600 -320.101 -171.883 -111.257 -231.829 -63.8971 22.5097 -177.181 -15.7659 123.113 PRESSAVG: 1244600 -27.8903 -77.8108 58.7358 -77.8108 64.1384 25.4223 58.7359 25.4224 25.0474 GPRESSAVG: 1244600 -29.0666 -78.8663 58.8116 -78.6102 64.4636 24.8959 59.9201 26.5717 26.0935 TIMING: 1244600 CPU: 3946.6, 0.00321878/step Wall: 3946.6, 0.00321878/step, 3.35772 hours remaining, 238.316406 MB of memory in use. ENERGY: 1244600 3961.9898 20390.9989 14456.8283 250.0542 -202936.3630 2501.0872 0.0000 0.0000 51571.4182 -109803.9865 296.3816 -161375.4047 -109448.3833 297.8429 -116.4679 -86.9616 763134.8238 20.4318 20.4968 PRESSURE: 1244800 68.9204 -144.569 136.17 -144.57 -22.8957 108.343 136.171 108.342 16.3529 GPRESSURE: 1244800 24.7493 -124.613 132.964 -204.579 36.5283 83.6391 70.4939 203.799 71.2414 PRESSAVG: 1244800 -35.569 -29.0305 -9.53176 -29.0305 68.9271 40.3353 -9.53176 40.3352 7.28272 GPRESSAVG: 1244800 -34.4747 -29.6655 -9.545 -28.5851 67.8182 39.3031 -13.2775 40.7608 7.23919 TIMING: 1244800 CPU: 3947.24, 0.00322079/step Wall: 3947.24, 0.00322079/step, 3.35964 hours remaining, 238.316406 MB of memory in use. ENERGY: 1244800 3952.9197 20503.5827 14464.0861 238.5170 -203307.1419 2547.7960 0.0000 0.0000 51815.6843 -109784.5562 297.7854 -161600.2404 -109433.4564 298.3174 20.7926 44.1730 761509.8122 13.5469 13.5275 PRESSURE: 1245000 45.9092 -99.5247 -123.913 -99.525 -8.19122 67.9163 -123.913 67.916 266.611 GPRESSURE: 1245000 98.7119 -89.4488 -79.9787 -263.642 44.4646 24.4886 -134.798 -40.3728 257.305 PRESSAVG: 1245000 72.2868 -57.2789 13.2768 -57.2789 -52.7955 39.2594 13.2767 39.2595 -5.80577 GPRESSAVG: 1245000 72.1108 -56.5302 14.1949 -58.1884 -52.5415 40.753 13.8437 36.3561 -5.78898 TIMING: 1245000 CPU: 3947.88, 0.00318657/step Wall: 3947.88, 0.00318657/step, 3.32377 hours remaining, 238.316406 MB of memory in use. ENERGY: 1245000 3882.0307 20319.0214 14451.1797 252.1653 -203348.6927 2692.5806 0.0000 0.0000 52171.6018 -109580.1132 299.8309 -161751.7150 -109215.1534 298.4203 101.4430 133.4938 761624.0911 4.5618 4.5935 PRESSURE: 1245200 -279.349 -234.571 167.616 -234.57 -307.876 79.2414 167.615 79.2413 -145.226 GPRESSURE: 1245200 -246.445 -206.964 210.943 -135.921 -393.038 141.379 157.306 78.0969 -9.32377 PRESSAVG: 1245200 25.8227 -31.255 1.15675 -31.255 -12.2946 12.4875 1.15672 12.4875 -15.9332 GPRESSAVG: 1245200 25.3124 -32.1974 0.499915 -28.5414 -11.8672 11.7841 2.85176 12.8663 -15.4334 TIMING: 1245200 CPU: 3948.52, 0.00319437/step Wall: 3948.52, 0.00319437/step, 3.33172 hours remaining, 238.316406 MB of memory in use. ENERGY: 1245200 4050.2220 20560.9210 14431.9567 248.0781 -202941.9775 2392.9635 0.0000 0.0000 51886.6317 -109371.2045 298.1932 -161257.8363 -109025.9741 298.6367 -244.1506 -216.2688 762770.4297 -0.8017 -0.6627 PRESSURE: 1245400 -38.1615 13.4765 -115.244 13.4774 158.242 -9.8427 -115.243 -9.84369 -78.3595 GPRESSURE: 1245400 -81.9044 92.0295 -102.082 -72.5433 210.239 104.806 -118.766 -27.7193 2.79874 PRESSAVG: 1245400 3.02543 -18.0377 36.3276 -18.0377 8.50573 -21.8422 36.3276 -21.8421 0.544478 GPRESSAVG: 1245400 5.00381 -16.81 36.9923 -20.3196 8.18609 -21.8103 34.3861 -20.3928 -0.123465 TIMING: 1245400 CPU: 3949.16, 0.0032061/step Wall: 3949.16, 0.0032061/step, 3.34378 hours remaining, 238.316406 MB of memory in use. ENERGY: 1245400 3941.2928 20418.9028 14506.1591 267.5068 -202842.1031 2397.4677 0.0000 0.0000 52027.1423 -109283.6316 299.0007 -161310.7739 -108914.6791 299.2643 13.9069 43.7111 761710.6219 4.0252 4.3555 PRESSURE: 1245600 -103.23 -23.8148 -173.729 -23.8143 -106.349 88.2713 -173.729 88.2714 125.361 GPRESSURE: 1245600 -65.0238 1.05268 -153.456 84.0474 -28.4364 115.564 -235.913 31.0758 90.2481 PRESSAVG: 1245600 -1.24291 15.6563 -80.4281 15.6563 13.1548 -5.63861 -80.4281 -5.63861 4.62288 GPRESSAVG: 1245600 -0.114645 15.8593 -81.5853 17.3664 12.2049 -6.5022 -81.5414 -6.28314 3.96921 TIMING: 1245600 CPU: 3949.8, 0.00320444/step Wall: 3949.8, 0.00320444/step, 3.34188 hours remaining, 238.316406 MB of memory in use. ENERGY: 1245600 3962.7997 20544.3348 14435.2873 261.9121 -202763.0747 2437.5289 0.0000 0.0000 51941.2683 -109179.9435 298.5072 -161121.2118 -108823.3748 299.2445 -28.0729 -1.0707 763602.5824 5.5116 5.3532 PRESSURE: 1245800 -194.836 -88.3081 16.2248 -88.3079 19.9003 29.3137 16.2237 29.3149 221.096 GPRESSURE: 1245800 -137.985 -49.0276 -15.691 -70.3743 106.293 7.05993 130.448 -88.753 180.736 PRESSAVG: 1245800 7.47904 -90.4602 5.41531 -90.4602 -9.33628 -19.4491 5.4153 -19.449 3.1508 GPRESSAVG: 1245800 4.94288 -90.1364 5.40233 -91.5844 -6.99692 -17.7978 8.58732 -20.3227 3.45132 TIMING: 1245800 CPU: 3950.43, 0.00317994/step Wall: 3950.43, 0.00317994/step, 3.31615 hours remaining, 238.316406 MB of memory in use. ENERGY: 1245800 3951.6137 20440.6564 14434.7217 231.7274 -203089.7248 2567.7518 0.0000 0.0000 52008.5924 -109454.6614 298.8941 -161463.2538 -109086.8716 298.8300 15.3867 49.6814 761785.1423 0.4312 0.4658 PRESSURE: 1246000 161.645 -108.773 -85.4811 -108.774 -48.4395 -78.297 -85.4822 -78.2974 741.659 GPRESSURE: 1246000 178.324 -83.316 -109.433 -269.984 -18.9428 -26.9899 -102.408 -90.568 780.764 PRESSAVG: 1246000 12.3227 -71.83 -12.9964 -71.83 8.38131 -9.97556 -12.9964 -9.97554 2.32355 GPRESSAVG: 1246000 13.1744 -72.7148 -12.8856 -72.1959 7.21508 -11.0222 -14.4466 -9.56181 3.03312 TIMING: 1246000 CPU: 3951.08, 0.00320324/step Wall: 3951.08, 0.00320324/step, 3.34026 hours remaining, 238.316406 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: 1246000 3996.0578 20519.9012 14419.9658 241.9917 -203303.5857 2737.0947 0.0000 0.0000 52087.4783 -109301.0961 299.3475 -161388.5745 -108936.5486 298.9065 284.9546 313.3818 763017.4764 7.6758 7.8075 PRESSURE: 1246200 218.656 -309.177 93.7511 -309.178 155.433 267.737 93.7509 267.737 -430.806 GPRESSURE: 1246200 225.753 -295.736 90.5911 -113.479 209.841 261.192 41.5393 170.034 -405.986 PRESSAVG: 1246200 23.6368 -111.463 -5.53831 -111.463 2.95524 -8.88561 -5.53827 -8.88564 -3.25297 GPRESSAVG: 1246200 24.9778 -110.407 -6.50762 -111.52 2.83833 -6.96439 -4.77695 -9.41378 -4.10038 TIMING: 1246200 CPU: 3951.71, 0.00319462/step Wall: 3951.71, 0.00319463/step, 3.33111 hours remaining, 238.316406 MB of memory in use. ENERGY: 1246200 3972.3745 20451.8914 14476.5192 259.4731 -203096.6591 2558.1648 0.0000 0.0000 51875.5666 -109502.6695 298.1296 -161378.2361 -109143.0284 298.9865 -18.9058 9.8692 761976.7865 7.7797 7.9053 PRESSURE: 1246400 -14.0441 59.4382 10.7741 59.4374 -60.532 -46.1655 10.773 -46.1653 -8.80648 GPRESSURE: 1246400 53.8401 122.999 6.77153 124.999 -45.4049 -100.042 25.3855 60.411 1.47921 PRESSAVG: 1246400 -4.73906 -44.2444 41.8718 -44.2444 34.4886 -0.0260746 41.8718 -0.0260303 1.03304 GPRESSAVG: 1246400 -5.94633 -44.2646 44.028 -44.951 35.7688 -0.91735 39.1509 1.77892 0.788662 TIMING: 1246400 CPU: 3952.35, 0.00319837/step Wall: 3952.35, 0.00319837/step, 3.33484 hours remaining, 238.316406 MB of memory in use. ENERGY: 1246400 4016.3217 20397.2435 14451.2351 253.5996 -203229.8720 2589.3520 0.0000 0.0000 51962.4603 -109559.6598 298.6290 -161522.1201 -109203.7814 298.4709 -27.7942 3.3048 762015.5879 10.2608 10.2037 PRESSURE: 1246600 -467.419 26.124 131.243 26.125 -349.58 -87.2354 131.243 -87.2344 186.231 GPRESSURE: 1246600 -380.978 71.0493 15.4214 14.4927 -316.214 -17.8231 199.582 -39.9428 138.648 PRESSAVG: 1246600 -30.7099 -87.8501 25.3711 -87.8501 -11.8632 -10.6939 25.3711 -10.6939 -22.7243 GPRESSAVG: 1246600 -29.9479 -88.8405 22.9411 -86.8152 -13.215 -12.6692 29.5615 -10.5791 -22.6944 TIMING: 1246600 CPU: 3952.99, 0.00319923/step Wall: 3952.99, 0.00319923/step, 3.33555 hours remaining, 238.316406 MB of memory in use. ENERGY: 1246600 3953.3234 20548.3743 14521.5116 222.4014 -202961.8155 2404.8263 0.0000 0.0000 51847.5209 -109463.8576 297.9684 -161311.3785 -109105.2607 298.5104 -210.2560 -186.1811 762566.6531 -21.7658 -21.9525 PRESSURE: 1246800 210.994 -193.859 -411.159 -193.859 242.182 37.6116 -411.158 37.6116 94.7226 GPRESSURE: 1246800 156.204 -258.279 -273.568 -130.251 258.439 196.333 -341.838 -48.9939 219.502 PRESSAVG: 1246800 7.68814 -25.7937 -12.7441 -25.7938 -24.6846 -14.5746 -12.7441 -14.5746 7.25167 GPRESSAVG: 1246800 6.8168 -25.1356 -11.6616 -24.2458 -23.7364 -12.7782 -13.8141 -15.4262 6.65202 TIMING: 1246800 CPU: 3953.63, 0.00319229/step Wall: 3953.63, 0.00319229/step, 3.32814 hours remaining, 238.316406 MB of memory in use. ENERGY: 1246800 3921.0605 20300.0889 14564.3881 256.3769 -203584.5924 2890.6600 0.0000 0.0000 52031.2809 -109620.7371 299.0245 -161652.0181 -109247.5135 298.2461 182.6326 211.3815 761460.3144 -3.2483 -3.4225 PRESSURE: 1247000 -22.8384 -141.625 381.368 -141.625 175.696 -10.7461 381.369 -10.7466 406.547 GPRESSURE: 1247000 60.0839 -72.1867 356.768 -114.09 197.099 -53.3819 247.109 -94.4867 385.501 PRESSAVG: 1247000 -17.8104 -19.5596 -44.7327 -19.5596 19.6688 47.1343 -44.7327 47.1343 15.5341 GPRESSAVG: 1247000 -16.1153 -20.8555 -45.891 -19.1301 17.1672 47.3386 -45.2675 46.789 15.9343 TIMING: 1247000 CPU: 3954.27, 0.00318153/step Wall: 3954.27, 0.00318153/step, 3.31675 hours remaining, 238.316406 MB of memory in use. ENERGY: 1247000 3932.9090 20649.8308 14412.5961 243.1030 -203062.0841 2434.8519 0.0000 0.0000 51873.8650 -109514.9282 298.1198 -161388.7932 -109162.4927 298.4538 186.4684 214.2279 761646.1905 5.7975 5.6621 PRESSURE: 1247200 -191.276 52.8146 92.7069 52.8144 70.3011 -15.7225 92.7073 -15.7219 219.427 GPRESSURE: 1247200 -108.721 123.982 70.662 29.6633 88.6781 -1.55241 23.9814 -49.6811 188.39 PRESSAVG: 1247200 43.4813 -72.2535 2.07571 -72.2535 -28.906 52.534 2.07569 52.534 3.8283 GPRESSAVG: 1247200 43.079 -72.8794 2.41137 -74.1075 -27.4498 51.7636 2.28111 53.417 3.12389 TIMING: 1247200 CPU: 3954.91, 0.00320703/step Wall: 3954.91, 0.00320703/step, 3.34316 hours remaining, 238.316406 MB of memory in use. ENERGY: 1247200 4043.0448 20596.7084 14362.9896 253.2383 -203224.2307 2458.2387 0.0000 0.0000 52052.9078 -109457.1031 299.1488 -161510.0110 -109089.0174 298.8469 32.8173 56.1159 761831.3782 6.1345 6.2510 PRESSURE: 1247400 333.804 -55.69 -213.028 -55.6902 17.8752 -23.9312 -213.028 -23.9317 595.375 GPRESSURE: 1247400 369.975 -44.2846 -184.723 -56.014 97.2626 -34.3424 -275.769 -40.3046 539.131 PRESSAVG: 1247400 23.895 -22.82 -0.18706 -22.82 19.6762 79.8789 -0.187008 79.8789 -11.3807 GPRESSAVG: 1247400 22.5429 -20.2132 -0.440404 -23.1547 19.6584 79.0533 -1.98447 78.1855 -10.6103 TIMING: 1247400 CPU: 3955.55, 0.00320706/step Wall: 3955.55, 0.00320706/step, 3.343 hours remaining, 238.316406 MB of memory in use. ENERGY: 1247400 3930.9918 20371.0103 14449.0140 239.8978 -203524.3839 2797.3014 0.0000 0.0000 52287.6533 -109448.5153 300.4979 -161736.1686 -109079.9306 299.6164 315.6849 335.4562 760733.5648 10.7302 10.5303 PRESSURE: 1247600 -149.928 -55.9529 130.903 -55.9525 -179.198 -116.497 130.903 -116.497 42.4562 GPRESSURE: 1247600 -65.1564 -137.91 44.4302 29.7696 -176.266 -120.555 126.132 -236.595 34.6645 PRESSAVG: 1247600 -0.24054 -57.3271 -2.71564 -57.3271 -19.644 1.95455 -2.7156 1.95453 10.9973 GPRESSAVG: 1247600 1.18938 -57.3099 -1.73407 -56.9512 -20.2292 2.8652 -1.4318 2.1838 9.95127 TIMING: 1247600 CPU: 3956.19, 0.00319831/step Wall: 3956.19, 0.00319831/step, 3.33371 hours remaining, 238.316406 MB of memory in use. ENERGY: 1247600 3899.4244 20540.5897 14354.4558 242.5901 -203163.9257 2395.0684 0.0000 0.0000 52205.7136 -109526.0838 300.0270 -161731.7974 -109158.1781 299.0213 -95.5566 -68.9192 762133.6670 -2.9624 -3.0295 PRESSURE: 1247800 174.389 107.107 160.386 107.107 -124.755 76.2217 160.386 76.2225 445.969 GPRESSURE: 1247800 189.948 77.0925 102.538 102.316 -29.7836 57.3283 148.187 109.469 423.814 PRESSAVG: 1247800 38.9227 10.005 -13.7609 10.0051 -72.2407 16.3344 -13.7609 16.3344 -7.06894 GPRESSAVG: 1247800 38.251 8.57395 -13.5193 9.47229 -73.0719 15.5521 -13.0951 18.4493 -5.54291 TIMING: 1247800 CPU: 3956.83, 0.00318447/step Wall: 3956.83, 0.00318447/step, 3.3191 hours remaining, 238.316406 MB of memory in use. ENERGY: 1247800 4003.1775 20431.5431 14412.4856 257.2977 -202927.8499 2612.0212 0.0000 0.0000 52098.5963 -109112.7285 299.4113 -161211.3248 -108753.2362 299.2694 165.2006 194.6593 760745.1716 -13.4623 -13.4546 PRESSURE: 1248000 -78.5936 -67.0276 31.3799 -67.027 326.552 -6.85583 31.38 -6.85604 256.008 GPRESSURE: 1248000 4.43838 18.7959 -57.5518 -124.906 320.134 -3.52073 136.215 16.7638 243.786 PRESSAVG: 1248000 44.1246 -42.8231 -13.1298 -42.8231 28.6068 25.9335 -13.1298 25.9334 10.6028 GPRESSAVG: 1248000 43.9594 -41.7523 -14.5736 -42.381 30.0153 26.9441 -12.562 24.7771 9.78722 TIMING: 1248000 CPU: 3957.47, 0.00319204/step Wall: 3957.47, 0.00319204/step, 3.32681 hours remaining, 238.316406 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: 1248000 3973.6641 20545.3509 14490.5845 259.8783 -203223.1422 2647.1249 0.0000 0.0000 52329.7830 -108976.7566 300.7400 -161306.5396 -108607.5197 300.0154 167.9886 189.4528 759839.4543 27.7781 27.9206 PRESSURE: 1248200 155.281 -237.049 47.222 -237.049 -196.632 73.3246 47.2219 73.3246 -14.5146 GPRESSURE: 1248200 177.718 -219.958 -1.66427 -129.151 -142.442 37.4855 -12.9948 128.829 -8.42773 PRESSAVG: 1248200 22.0392 -56.9464 76.8128 -56.9464 -11.284 2.09329 76.8128 2.09336 0.149047 GPRESSAVG: 1248200 22.6171 -56.457 77.7585 -56.9553 -11.8802 2.03113 75.6077 2.17586 0.26775 TIMING: 1248200 CPU: 3958.1, 0.00318244/step Wall: 3958.1, 0.00318244/step, 3.31663 hours remaining, 238.316406 MB of memory in use. ENERGY: 1248200 4021.0510 20668.4707 14438.1189 251.5215 -203047.0686 2702.8298 0.0000 0.0000 52058.5706 -108906.5060 299.1813 -160965.0766 -108554.3510 300.2638 -18.6219 8.9492 760757.8330 3.6348 3.6682 LDB: ============= START OF LOAD BALANCING ============== 3970.56 LDB: ============== END OF LOAD BALANCING =============== 3970.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3970.56 LDB: ============= START OF LOAD BALANCING ============== 3970.88 LDB: Largest compute 7059 load 0.037117 is 19.0% of average load 0.195154 LDB: Average compute 0.004396 is 2.3% of average load 0.195154 LDB: TIME 3970.88 LOAD: AVG 0.195154 MAX 0.217284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.141 MB LDB: TIME 3970.88 LOAD: AVG 0.195154 MAX 0.217284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: TIME 3970.88 LOAD: AVG 0.195154 MAX 0.217284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: ============== END OF LOAD BALANCING =============== 3970.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3970.89 PRESSURE: 1248400 112.316 151.03 1.74147 151.029 -99.9394 2.27819 1.74114 2.27758 114.53 GPRESSURE: 1248400 163.462 59.878 -6.57361 241.779 -10.9351 -32.4376 185.041 65.5614 63.753 PRESSAVG: 1248400 -2.81409 -96.6182 36.7015 -96.6182 -8.74724 19.0658 36.7015 19.0658 -14.9643 GPRESSAVG: 1248400 -2.35418 -96.8958 34.9753 -95.759 -8.70931 18.863 37.7592 20.5367 -15.3495 TIMING: 1248400 CPU: 3958.76, 0.00326442/step Wall: 3958.76, 0.00326442/step, 3.40189 hours remaining, 237.343750 MB of memory in use. ENERGY: 1248400 4000.6215 20482.7038 14434.1109 253.2866 -203170.2076 2626.2990 0.0000 0.0000 52287.0158 -109086.1700 300.4942 -161373.1858 -108719.0209 300.3213 42.3024 72.0934 761663.2642 -8.8419 -8.8043 PRESSURE: 1248600 77.954 -64.9098 243.762 -64.9093 11.7074 157.34 243.762 157.341 -119.09 GPRESSURE: 1248600 167.52 29.3221 321.686 -99.9175 60.8399 109.928 28.1887 194.133 -171.315 PRESSAVG: 1248600 34.2072 7.19827 26.8801 7.19825 11.2923 28.1999 26.8802 28.1999 4.23636 GPRESSAVG: 1248600 34.2469 7.19659 27.9791 6.29652 11.3063 28.1335 26.6192 26.9487 4.16474 TIMING: 1248600 CPU: 3959.39, 0.00319421/step Wall: 3959.39, 0.00319421/step, 3.32854 hours remaining, 237.546875 MB of memory in use. ENERGY: 1248600 3956.2778 20445.2433 14393.3173 244.9491 -203025.2685 2493.1092 0.0000 0.0000 52053.1070 -109439.2648 299.1499 -161492.3719 -109060.5746 299.8277 -9.8096 19.0150 762666.0967 16.5786 16.5726 PRESSURE: 1248800 14.4836 210.865 252.755 210.866 -286.402 233.035 252.756 233.034 339.368 GPRESSURE: 1248800 133.3 126.452 191.968 295.488 -275.601 282.025 327.742 111.36 269.239 PRESSAVG: 1248800 -8.4919 -15.0082 12.8195 -15.0081 -33.9658 25.383 12.8195 25.383 1.33265 GPRESSAVG: 1248800 -8.81389 -12.9092 12.8665 -15.9247 -33.0946 24.808 11.7864 26.7212 0.902661 TIMING: 1248800 CPU: 3960.03, 0.00318537/step Wall: 3960.03, 0.00318537/step, 3.31916 hours remaining, 237.546875 MB of memory in use. ENERGY: 1248800 3966.0784 20333.7329 14496.0514 256.8058 -203276.9126 2818.0875 0.0000 0.0000 52036.5911 -109369.5654 299.0550 -161406.1565 -109000.1080 298.8114 22.4832 42.3128 762283.6763 -13.7083 -13.6686 PRESSURE: 1249000 -92.5025 -1.07168 -134.621 -1.07213 -289.248 -10.2149 -134.621 -10.216 -309.539 GPRESSURE: 1249000 -38.5363 44.7482 -112.23 11.3286 -280.08 14.3211 -139.195 -7.57005 -299.826 PRESSAVG: 1249000 -23.8352 -24.4302 8.38834 -24.4301 -31.5919 11.6701 8.38835 11.67 13.838 GPRESSAVG: 1249000 -23.6534 -25.817 7.53865 -22.1526 -32.3935 11.4744 8.04429 12.4384 14.0827 TIMING: 1249000 CPU: 3960.67, 0.00319865/step Wall: 3960.67, 0.00319865/step, 3.33281 hours remaining, 237.546875 MB of memory in use. ENERGY: 1249000 3967.2995 20465.7052 14427.5680 246.3251 -202910.0002 2310.1303 0.0000 0.0000 52128.5128 -109364.4593 299.5833 -161492.9721 -108999.8838 298.8967 -230.4300 -206.1474 761222.8427 -13.8631 -13.9880 PRESSURE: 1249200 210.714 -77.6309 -26.6186 -77.6301 98.2732 -161.13 -26.6189 -161.131 220.832 GPRESSURE: 1249200 311.688 -4.59243 69.7085 -17.5075 108.381 -218.358 -170.384 -59.6043 213.482 PRESSAVG: 1249200 77.0577 5.09787 -57.9164 5.09779 -38.1052 2.95907 -57.9164 2.95903 3.25451 GPRESSAVG: 1249200 77.0364 4.53435 -58.1548 4.5172 -37.5567 3.41853 -57.0175 2.54859 2.90204 TIMING: 1249200 CPU: 3961.31, 0.00321288/step Wall: 3961.31, 0.00321289/step, 3.34747 hours remaining, 237.546875 MB of memory in use. ENERGY: 1249200 3997.5502 20370.4103 14473.8600 241.6315 -202908.3366 2566.9745 0.0000 0.0000 52116.2409 -109141.6692 299.5128 -161257.9101 -108778.8337 299.7986 176.6064 211.1837 760022.0228 14.0690 14.1273 PRESSURE: 1249400 -12.4737 -17.3024 -6.4205 -17.3021 -75.8973 151.619 -6.42085 151.619 -171.519 GPRESSURE: 1249400 -55.4263 113.492 24.0169 -53.3892 16.5791 76.186 27.2931 178.977 -138.6 PRESSAVG: 1249400 53.7617 3.87002 -4.7802 3.87002 -65.1654 -32.1387 -4.78026 -32.1387 -23.2188 GPRESSAVG: 1249400 52.6987 3.96896 -2.09818 2.98315 -65.4286 -33.1514 -5.29275 -32.4205 -22.4078 TIMING: 1249400 CPU: 3961.95, 0.00317912/step Wall: 3961.95, 0.00317912/step, 3.31211 hours remaining, 237.546875 MB of memory in use. ENERGY: 1249400 4084.5456 20429.9273 14396.9614 254.8427 -203073.6777 2519.2976 0.0000 0.0000 52053.9221 -109334.1809 299.1546 -161388.1031 -108967.8452 299.0494 -86.6299 -59.1491 761063.4501 -11.5408 -11.7126 PRESSURE: 1249600 10.5159 -71.6084 -64.5404 -71.6085 -557.326 139.781 -64.5417 139.78 -21.4836 GPRESSURE: 1249600 35.3878 -4.61189 -94.7032 -90.3747 -505.399 184.414 -190.615 150.433 -3.9388 PRESSAVG: 1249600 -3.62095 19.7808 33.0007 19.7808 -62.1982 -16.2039 33.0007 -16.2039 30.2264 GPRESSAVG: 1249600 -2.69313 18.7249 32.3411 22.0034 -61.5919 -14.8675 32.1877 -17.9875 28.6417 TIMING: 1249600 CPU: 3962.59, 0.00318266/step Wall: 3962.59, 0.00318266/step, 3.31562 hours remaining, 237.546875 MB of memory in use. ENERGY: 1249600 4012.9852 20583.0718 14409.1025 237.3112 -203007.4095 2501.2002 0.0000 0.0000 51974.0770 -109289.6617 298.6957 -161263.7387 -108928.4771 299.2077 -189.4311 -157.9835 761298.6460 -11.8642 -11.8811 PRESSURE: 1249800 -168.761 156.687 -256.908 156.687 196.27 167.529 -256.908 167.531 -230.723 GPRESSURE: 1249800 -89.0204 138.607 -273.353 103.891 185.965 58.9271 -150.665 75.6426 -199.752 PRESSAVG: 1249800 -1.75012 27.977 -22.0323 27.977 -16.7227 12.3207 -22.0323 12.3207 -12.5619 GPRESSAVG: 1249800 -2.51918 28.048 -22.2121 28.1632 -18.5905 10.8769 -21.4358 14.3361 -10.8904 TIMING: 1249800 CPU: 3963.22, 0.00318832/step Wall: 3963.22, 0.00318832/step, 3.32135 hours remaining, 237.546875 MB of memory in use. ENERGY: 1249800 3899.3121 20627.1951 14446.4664 245.6918 -203230.9343 2628.0149 0.0000 0.0000 51933.4625 -109450.7915 298.4623 -161384.2540 -109088.8808 298.7414 -67.7378 -34.2692 760921.8883 -10.3449 -10.6667 PRESSURE: 1250000 243.19 18.3032 117.422 18.3031 39.426 -242.117 117.421 -242.116 -62.7571 GPRESSURE: 1250000 240.702 125.351 152.853 -11.7882 102.569 -172.216 69.3335 -262.912 -52.2843 PRESSAVG: 1250000 26.6839 45.6736 -9.15449 45.6736 12.7351 -1.47037 -9.15449 -1.4704 1.89482 GPRESSAVG: 1250000 28.0313 46.8935 -9.55789 44.0475 13.3238 -1.62912 -6.36235 -1.2703 0.410164 TIMING: 1250000 CPU: 3963.86, 0.0031863/step Wall: 3963.86, 0.0031863/step, 3.31907 hours remaining, 237.546875 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: 1250000 3974.3271 20463.0020 14399.2106 247.0521 -203181.1804 2566.6500 0.0000 0.0000 52134.4883 -109396.4504 299.6176 -161530.9387 -109028.4890 299.0067 73.2862 96.9956 761456.1815 13.7713 13.9218 PRESSURE: 1250200 -29.746 -184.341 -114.947 -184.341 -155.088 56.1114 -114.948 56.1109 -21.7844 GPRESSURE: 1250200 -50.6925 -74.1318 -98.8251 -316.962 -107.936 43.0776 -130.681 52.7351 43.0613 PRESSAVG: 1250200 16.1912 -41.8976 15.1801 -41.8976 -23.6906 -18.5521 15.18 -18.5522 11.5972 GPRESSAVG: 1250200 14.964 -42.6217 15.976 -42.4412 -24.0717 -16.7414 13.369 -17.717 12.7808 TIMING: 1250200 CPU: 3964.5, 0.00321486/step Wall: 3964.5, 0.00321486/step, 3.34863 hours remaining, 237.546875 MB of memory in use. ENERGY: 1250200 3934.4082 20416.3083 14348.2554 259.3476 -202909.7047 2474.1045 0.0000 0.0000 52141.0141 -109336.2667 299.6551 -161477.2808 -108975.3098 299.1178 -68.8727 -38.5222 762028.0723 1.3659 1.2244 PRESSURE: 1250400 121.186 140.678 87.8913 140.679 203.276 274.986 87.8925 274.986 134.82 GPRESSURE: 1250400 247.454 133.5 92.2711 177.391 158.096 337.272 265.265 149.386 146.016 PRESSAVG: 1250400 -4.9872 -20.3542 -3.45847 -20.3542 9.02013 25.829 -3.45851 25.829 3.36323 GPRESSAVG: 1250400 -4.70665 -19.0039 -3.88703 -20.3609 8.81646 25.0097 -1.15219 24.7068 3.95625 TIMING: 1250400 CPU: 3965.15, 0.00320617/step Wall: 3965.15, 0.00320617/step, 3.3394 hours remaining, 237.546875 MB of memory in use. ENERGY: 1250400 3954.0785 20551.4612 14320.4094 242.3148 -202523.8322 2306.5579 0.0000 0.0000 52051.2509 -109097.7595 299.1393 -161149.0104 -108728.3043 299.2190 153.0938 183.8549 761048.7017 2.4654 2.6887 PRESSURE: 1250600 -266.712 102.616 -47.1433 102.616 -267.303 -71.9917 -47.1423 -71.9928 -450.4 GPRESSURE: 1250600 -293.588 88.7816 -113.286 83.5508 -238.76 -70.1623 22.9657 51.8312 -349.009 PRESSAVG: 1250600 2.92809 -0.773338 -43.2155 -0.773336 -23.136 -9.03473 -43.2156 -9.03475 -15.0068 GPRESSAVG: 1250600 2.601 -3.94069 -42.7955 0.911843 -23.1615 -9.84612 -44.492 -9.54899 -14.713 TIMING: 1250600 CPU: 3965.79, 0.00322255/step Wall: 3965.79, 0.00322255/step, 3.35629 hours remaining, 237.546875 MB of memory in use. ENERGY: 1250600 3951.5994 20564.3109 14381.3402 248.5683 -203092.5298 2394.5669 0.0000 0.0000 52269.4426 -109282.7015 300.3932 -161552.1441 -108907.7191 299.5496 -328.1384 -293.7856 761703.8224 -11.7382 -11.7578 PRESSURE: 1250800 -101.272 -54.0088 -25.9083 -54.0082 123.471 -5.38877 -25.9078 -5.38941 -228.155 GPRESSURE: 1250800 40.4805 -60.7418 7.09 -124.428 107.46 44.2948 -46.1486 -83.0394 -279.924 PRESSAVG: 1250800 37.4317 -12.5325 -23.5048 -12.5325 -23.4384 6.92093 -23.5048 6.92089 7.41751 GPRESSAVG: 1250800 37.9806 -9.70512 -23.2193 -15.4095 -21.9334 8.46461 -23.842 6.22823 5.355 TIMING: 1250800 CPU: 3966.43, 0.00319649/step Wall: 3966.43, 0.00319649/step, 3.32897 hours remaining, 237.546875 MB of memory in use. ENERGY: 1250800 3993.8975 20540.7203 14451.0049 250.8572 -203649.3221 2898.1451 0.0000 0.0000 52230.8152 -109283.8820 300.1712 -161514.6972 -108918.5509 299.8812 -68.6520 -43.9944 760351.0845 7.1369 7.1341 PRESSURE: 1251000 106.663 -163.948 -76.3646 -163.947 42.4042 -171.127 -76.3657 -171.128 -94.5533 GPRESSURE: 1251000 85.3238 -115.266 -105.165 -129.642 83.1475 -165.429 -63.69 -261.756 -40.9045 PRESSAVG: 1251000 30.5493 -34.3929 -3.70829 -34.3929 24.7173 -28.8668 -3.70823 -28.8668 -13.6837 GPRESSAVG: 1251000 29.8902 -33.6178 -3.13647 -33.795 23.9533 -29.2652 -6.28646 -27.8874 -12.5804 TIMING: 1251000 CPU: 3967.07, 0.00320977/step Wall: 3967.07, 0.00320977/step, 3.34262 hours remaining, 237.546875 MB of memory in use. ENERGY: 1251000 3937.4283 20549.3981 14470.8930 242.7453 -203099.5451 2667.1995 0.0000 0.0000 52110.5662 -109121.3147 299.4801 -161231.8809 -108759.8519 299.8093 18.1714 42.5223 763027.7820 13.8610 13.7544 PRESSURE: 1251200 263.233 -378.748 77.243 -378.748 -12.5959 18.6651 77.2425 18.6659 372.182 GPRESSURE: 1251200 236.462 -366.344 8.19688 -268.676 16.6979 -29.5807 229.791 95.7022 436.933 PRESSAVG: 1251200 9.64301 -45.8562 -8.72402 -45.8562 32.5177 1.50094 -8.72396 1.50088 6.62643 GPRESSAVG: 1251200 9.36506 -48.406 -10.702 -45.7968 31.9231 -0.2942 -7.4436 5.26851 8.25596 TIMING: 1251200 CPU: 3967.71, 0.00320667/step Wall: 3967.71, 0.00320667/step, 3.33922 hours remaining, 237.546875 MB of memory in use. ENERGY: 1251200 3944.8868 20614.7985 14438.3492 233.5226 -203347.7709 2621.9717 0.0000 0.0000 52291.2922 -109202.9500 300.5188 -161494.2422 -108838.1087 299.8605 207.6063 230.0310 761412.6995 16.2624 16.5147 PRESSURE: 1251400 -502.336 -63.5716 70.6199 -63.5709 -256.341 65.439 70.6204 65.4396 56.9884 GPRESSURE: 1251400 -436.953 -98.2662 94.5211 -59.512 -213.528 11.1043 95.6281 30.9163 16.84 PRESSAVG: 1251400 49.7839 -5.18086 3.39052 -5.18084 -79.2009 6.65766 3.39052 6.65765 -15.7629 GPRESSAVG: 1251400 50.9497 -7.68635 4.57841 -2.96744 -79.1003 9.75658 2.44289 3.4409 -17.4821 TIMING: 1251400 CPU: 3968.36, 0.00321495/step Wall: 3968.36, 0.00321495/step, 3.34765 hours remaining, 237.546875 MB of memory in use. ENERGY: 1251400 4023.8402 20467.5664 14437.0149 246.4840 -203081.2448 2450.9422 0.0000 0.0000 51908.2001 -109547.1971 298.3171 -161455.3972 -109189.7524 299.2061 -233.8962 -211.2137 763267.2974 -15.0600 -15.2109 PRESSURE: 1251600 -59.4983 115.765 -49.1638 115.764 -63.7899 12.2831 -49.1646 12.2827 211.368 GPRESSURE: 1251600 6.02848 128.543 -56.0721 34.1785 8.29586 23.0049 -0.950558 -11.8028 180.225 PRESSAVG: 1251600 19.5488 -2.37172 -37.6295 -2.37165 -9.38416 -20.3573 -37.6295 -20.3573 4.36748 GPRESSAVG: 1251600 19.7519 2.21599 -38.0166 -4.86872 -8.82501 -21.1818 -35.5302 -19.6369 3.63376 TIMING: 1251600 CPU: 3969, 0.00322407/step Wall: 3969, 0.00322407/step, 3.35697 hours remaining, 237.546875 MB of memory in use. ENERGY: 1251600 3916.1400 20633.7850 14421.0644 229.1234 -203172.2349 2657.4340 0.0000 0.0000 51743.5661 -109571.1220 297.3710 -161314.6880 -109217.8454 298.9923 29.3599 64.8498 762104.1531 4.8440 4.8535 PRESSURE: 1251800 -85.4864 211.361 -84.6968 211.361 -46.2819 -100.714 -84.6963 -100.715 39.7487 GPRESSURE: 1251800 -116.533 288.421 -173.658 218.602 11.6867 -5.99188 -88.9089 -1.97594 113 PRESSAVG: 1251800 34.0375 23.8242 25.9143 23.8242 -34.4842 13.0034 25.9143 13.0034 46.348 GPRESSAVG: 1251800 34.0556 23.5808 24.5619 24.9107 -34.9373 11.76 25.3252 12.5439 46.6976 TIMING: 1251800 CPU: 3969.64, 0.00321816/step Wall: 3969.64, 0.00321816/step, 3.35064 hours remaining, 237.546875 MB of memory in use. ENERGY: 1251800 3930.9696 20555.9592 14379.7902 246.9002 -203787.6139 2769.8208 0.0000 0.0000 52355.1596 -109549.0143 300.8858 -161904.1740 -109192.3933 298.7395 -30.6732 2.7178 761395.1207 15.3004 15.2720 PRESSURE: 1252000 -185.566 184.129 107.472 184.13 -205.765 -150.887 107.471 -150.888 321.459 GPRESSURE: 1252000 -64.5636 180.817 119.02 124.169 -131.407 -184.686 53.0308 -286.215 202.081 PRESSAVG: 1252000 29.3007 11.7107 10.6054 11.7107 32.3713 -39.9259 10.6055 -39.926 -11.7793 GPRESSAVG: 1252000 28.7039 10.607 11.7351 9.33309 33.7238 -38.7318 10.8777 -41.7716 -12.6075 TIMING: 1252000 CPU: 3970.29, 0.00322236/step Wall: 3970.29, 0.00322236/step, 3.35484 hours remaining, 237.546875 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: 1252000 4073.4225 20456.3704 14429.0822 250.7865 -203548.1306 2730.1298 0.0000 0.0000 52049.1691 -109559.1701 299.1273 -161608.3392 -109198.0892 299.2918 -23.2909 2.0366 759691.3331 16.6309 16.6067 PRESSURE: 1252200 -104.657 -59.4554 72.1731 -59.4548 -174.418 -202.343 72.1736 -202.344 99.453 GPRESSURE: 1252200 -57.6468 -132.667 32.9744 15.8558 -189.092 -176.568 -61.2183 -167.195 169.572 PRESSAVG: 1252200 49.4835 -65.335 4.68926 -65.335 -26.219 -68.3509 4.68931 -68.3509 -17.2615 GPRESSAVG: 1252200 50.1965 -64.7536 4.58532 -63.3344 -28.0327 -69.4711 3.71481 -65.8288 -15.9279 TIMING: 1252200 CPU: 3970.93, 0.00319927/step Wall: 3970.93, 0.00319927/step, 3.33062 hours remaining, 237.546875 MB of memory in use. ENERGY: 1252200 3955.4358 20537.8762 14518.6715 238.7648 -203466.9875 2681.1601 0.0000 0.0000 51888.8516 -109646.2274 298.2059 -161535.0790 -109282.0224 299.3460 -59.8742 -25.7224 761530.1079 2.0010 2.0786 LDB: ============= START OF LOAD BALANCING ============== 3983.39 LDB: ============== END OF LOAD BALANCING =============== 3983.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.39 LDB: ============= START OF LOAD BALANCING ============== 3983.71 LDB: Largest compute 7059 load 0.038676 is 19.8% of average load 0.195136 LDB: Average compute 0.004395 is 2.3% of average load 0.195136 LDB: TIME 3983.71 LOAD: AVG 0.195136 MAX 0.214537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.602 MB LDB: TIME 3983.72 LOAD: AVG 0.195136 MAX 0.214537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.805 MB LDB: TIME 3983.72 LOAD: AVG 0.195136 MAX 0.214537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.805 MB LDB: ============== END OF LOAD BALANCING =============== 3983.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3983.72 PRESSURE: 1252400 -258.672 140.497 87.0445 140.497 -73.059 -129.809 87.0443 -129.809 90.5804 GPRESSURE: 1252400 -254.719 34.6226 71.9863 80.541 -48.6493 -163.15 33.7193 -99.8135 140.042 PRESSAVG: 1252400 -45.0825 37.0878 -39.0193 37.0877 22.0822 -26.4364 -39.0193 -26.4365 -37.531 GPRESSAVG: 1252400 -46.19 34.4945 -39.1723 35.4359 23.9438 -25.0506 -37.9565 -27.5817 -37.9891 TIMING: 1252400 CPU: 3971.59, 0.00328858/step Wall: 3971.59, 0.00328858/step, 3.42341 hours remaining, 237.343750 MB of memory in use. ENERGY: 1252400 4014.5800 20615.2562 14411.3344 244.6592 -203163.6695 2384.9523 0.0000 0.0000 51950.0032 -109542.8842 298.5574 -161492.8874 -109189.4548 299.0763 -80.3836 -54.4424 760545.5202 -20.1771 -20.0784 PRESSURE: 1252600 307.188 -129.306 -148.395 -129.306 319.817 -36.3781 -148.396 -36.3787 65.5527 GPRESSURE: 1252600 328.256 -179.259 -130.43 -156.226 362.141 -12.0314 -39.6179 -37.0098 83.5386 PRESSAVG: 1252600 16.0117 32.3416 -25.6084 32.3416 22.873 11.8583 -25.6084 11.8583 3.23154 GPRESSAVG: 1252600 16.5396 37.2322 -24.5421 31.2091 22.5319 11.8653 -25.204 11.5989 2.81614 TIMING: 1252600 CPU: 3972.23, 0.00323117/step Wall: 3972.23, 0.00323117/step, 3.36346 hours remaining, 237.343750 MB of memory in use. ENERGY: 1252600 4044.6722 20503.6475 14450.7184 248.7632 -203763.4639 2893.1343 0.0000 0.0000 52087.6839 -109534.8444 299.3486 -161622.5283 -109172.4021 299.3380 230.8524 257.9785 758740.5893 14.0387 13.9626 PRESSURE: 1252800 -124.241 90.1157 238.315 90.1154 -540.558 -7.65388 238.314 -7.65363 -6.27257 GPRESSURE: 1252800 -33.8312 -0.757442 127.349 57.3411 -446.475 -63.0847 365.545 -37.8867 -108.823 PRESSAVG: 1252800 13.3371 47.5491 61.8944 47.549 -31.133 -2.14641 61.8945 -2.14644 -6.94822 GPRESSAVG: 1252800 14.1027 46.346 60.455 49.6424 -31.5517 -2.57569 60.63 -3.77708 -7.11259 TIMING: 1252800 CPU: 3972.87, 0.00320674/step Wall: 3972.87, 0.00320674/step, 3.33786 hours remaining, 237.343750 MB of memory in use. ENERGY: 1252800 3982.3929 20400.6653 14424.1348 239.3954 -203056.9513 2276.8937 0.0000 0.0000 52096.6531 -109636.8161 299.4002 -161733.4692 -109274.2429 298.7441 -223.6908 -196.3761 762589.1976 -8.2480 -8.1872 PRESSURE: 1253000 -43.261 -189.128 139.088 -189.128 82.3843 -75.7699 139.089 -75.7702 -77.5805 GPRESSURE: 1253000 -90.5393 -187.489 55.8533 -116.382 96.6774 -5.08724 78.5529 -64.7259 47.6676 PRESSAVG: 1253000 -5.11768 25.5884 34.4293 25.5885 -13.3031 -16.3918 34.4293 -16.3918 14.5506 GPRESSAVG: 1253000 -5.76711 25.3639 35.3724 25.8056 -12.5514 -16.7194 34.1673 -14.5344 14.1709 TIMING: 1253000 CPU: 3973.52, 0.0032291/step Wall: 3973.52, 0.0032291/step, 3.36095 hours remaining, 237.343750 MB of memory in use. ENERGY: 1253000 3940.8733 20621.6141 14455.7453 243.7602 -203581.6495 2574.0418 0.0000 0.0000 52046.2264 -109699.3884 299.1104 -161745.6148 -109336.5059 299.3159 -12.8190 17.9352 759387.6088 -1.2901 -1.3825 PRESSURE: 1253200 21.9121 -74.815 -158.266 -74.8149 -30.8929 -43.0864 -158.267 -43.0868 -427.246 GPRESSURE: 1253200 68.0395 -91.2168 -88.2426 -2.39141 -38.964 -85.4774 -97.7849 86.5875 -399.818 PRESSAVG: 1253200 53.7664 -39.287 -6.4103 -39.287 -37.0885 10.9791 -6.41032 10.9792 -1.83855 GPRESSAVG: 1253200 53.2646 -40.4696 -5.89931 -38.3477 -37.0109 10.497 -7.19419 11.9547 -1.23437 TIMING: 1253200 CPU: 3974.16, 0.00321135/step Wall: 3974.16, 0.00321135/step, 3.3423 hours remaining, 237.343750 MB of memory in use. ENERGY: 1253200 4004.7976 20555.9550 14476.0870 247.2385 -203468.7074 2592.1307 0.0000 0.0000 51981.9480 -109610.5505 298.7410 -161592.4986 -109240.0355 298.7908 -145.4088 -123.5809 761856.9120 4.9465 5.0065 PRESSURE: 1253400 444.21 -41.7381 55.699 -41.7381 -7.35822 58.4737 55.6987 58.4735 336.512 GPRESSURE: 1253400 443.406 -24.7601 87.2538 -136.996 67.1637 99.2741 131.801 10.5577 342.97 PRESSAVG: 1253400 17.6491 -90.9605 -11.6149 -90.9605 -24.8365 20.7566 -11.615 20.7567 3.78244 GPRESSAVG: 1253400 16.5231 -90.9644 -12.7965 -90.0989 -25.3714 22.4525 -8.9335 18.8742 5.27457 TIMING: 1253400 CPU: 3974.81, 0.00322566/step Wall: 3974.81, 0.00322566/step, 3.35701 hours remaining, 237.343750 MB of memory in use. ENERGY: 1253400 3906.6268 20671.6562 14435.6656 238.7663 -203764.5465 2904.8652 0.0000 0.0000 52109.5030 -109497.4635 299.4740 -161606.9665 -109141.4270 299.2232 257.7878 284.5133 761975.0818 -1.1350 -1.1912 PRESSURE: 1253600 43.0765 -89.2321 -94.3147 -89.2319 151.337 301.276 -94.3148 301.276 303.533 GPRESSURE: 1253600 65.0847 21.7646 -95.3001 -46.7727 143.765 315.869 -51.9931 327.068 362.283 PRESSAVG: 1253600 85.8258 -87.9918 8.81604 -87.9917 -64.6929 -36.1077 8.81603 -36.1077 24.5489 GPRESSAVG: 1253600 86.2597 -85.7364 10.6078 -90.2327 -64.0989 -35.2398 7.49098 -35.9685 23.6607 TIMING: 1253600 CPU: 3975.45, 0.00321721/step Wall: 3975.45, 0.00321721/step, 3.34804 hours remaining, 237.343750 MB of memory in use. ENERGY: 1253600 3827.5206 20450.6916 14459.4576 242.8433 -203588.1792 2831.8419 0.0000 0.0000 52173.6430 -109602.1812 299.8426 -161775.8242 -109237.7245 299.2281 165.9821 190.3777 760900.0764 15.2273 15.2739 PRESSURE: 1253800 162.956 -40.7987 131.213 -40.7979 -132.891 140.137 131.212 140.136 112.132 GPRESSURE: 1253800 147.656 25.4863 152.925 -113.892 -41.4336 118.099 20.7003 83.1199 146.101 PRESSAVG: 1253800 14.8038 -13.0874 0.290883 -13.0874 18.0635 36.5679 0.29098 36.568 -12.9775 GPRESSAVG: 1253800 15.4881 -14.96 -1.58612 -11.6802 18.0719 34.1521 0.726362 36.3094 -12.93 TIMING: 1253800 CPU: 3976.09, 0.00320355/step Wall: 3976.09, 0.00320355/step, 3.33365 hours remaining, 237.343750 MB of memory in use. ENERGY: 1253800 3984.3273 20528.5576 14470.5723 246.0487 -203317.4828 2407.5088 0.0000 0.0000 52195.8426 -109484.6255 299.9702 -161680.4681 -109123.5866 299.0498 47.3991 84.1076 760595.3394 6.6299 6.8767 PRESSURE: 1254000 -291.596 163.876 91.664 163.876 62.8006 72.5546 91.6645 72.5545 -12.2896 GPRESSURE: 1254000 -273.88 163.919 114.243 158.922 153.141 122.624 -40.3917 -49.9182 -33.4573 PRESSAVG: 1254000 -61.4687 -52.2524 35.986 -52.2524 50.5059 -5.11075 35.986 -5.11065 12.7187 GPRESSAVG: 1254000 -62.5885 -51.4844 36.6038 -52.6854 50.6088 -4.64394 34.0061 -6.39346 14.1635 TIMING: 1254000 CPU: 3976.74, 0.00322958/step Wall: 3976.74, 0.00322958/step, 3.36055 hours remaining, 237.343750 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: 1254000 3990.6647 20753.0781 14473.7354 238.1859 -203123.3760 2349.1140 0.0000 0.0000 51895.0732 -109423.5248 298.2417 -161318.5979 -109070.8057 299.1041 -80.3618 -51.3989 761422.6248 0.5853 0.7279 PRESSURE: 1254200 387.081 -65.1342 -40.5456 -65.1342 340.871 -176.165 -40.5458 -176.166 370.513 GPRESSURE: 1254200 489.257 -30.5807 22.2157 -11.3401 280.549 -52.1312 102.041 -6.95797 418.908 PRESSAVG: 1254200 68.2966 -26.3125 39.8042 -26.3125 -14.8105 -3.95292 39.8042 -3.9529 25.3364 GPRESSAVG: 1254200 68.8585 -28.3505 40.1081 -24.5012 -14.9489 -3.31589 41.324 -3.39245 24.9561 TIMING: 1254200 CPU: 3977.39, 0.00324178/step Wall: 3977.39, 0.00324178/step, 3.37307 hours remaining, 237.343750 MB of memory in use. ENERGY: 1254200 3971.7439 20378.1592 14499.3754 242.4085 -203837.5423 2885.1531 0.0000 0.0000 52444.9859 -109415.7163 301.4021 -161860.7022 -109044.7355 299.3896 366.1549 396.2380 761027.7103 26.2742 26.2886 PRESSURE: 1254400 4.44709 -70.3856 -36.0283 -70.3852 239.527 -30.7852 -36.0287 -30.7847 83.1778 GPRESSURE: 1254400 61.4916 14.5648 -34.1751 -39.043 275.882 -97.2036 -50.8413 30.4702 63.6244 PRESSAVG: 1254400 18.8683 31.3005 28.482 31.3005 -0.799526 46.668 28.482 46.6679 -2.86711 GPRESSAVG: 1254400 20.621 34.1547 28.2948 30.0875 -1.77039 44.3387 28.1892 49.5762 -3.62066 TIMING: 1254400 CPU: 3978.03, 0.00321561/step Wall: 3978.03, 0.00321561/step, 3.34566 hours remaining, 237.343750 MB of memory in use. ENERGY: 1254400 3976.2672 20447.4627 14546.8459 266.5266 -203814.4234 2963.0820 0.0000 0.0000 51972.1682 -109642.0708 298.6848 -161614.2390 -109272.2580 298.9487 109.0506 133.6660 760709.8945 5.0672 5.0767 PRESSURE: 1254600 77.9629 -32.7426 -23.6526 -32.7432 81.2549 -16.992 -23.6535 -16.9915 27.9884 GPRESSURE: 1254600 120.034 -28.0856 -27.7981 -51.0991 70.7611 -29.2956 -195.797 -2.08397 66.2993 PRESSAVG: 1254600 50.8452 -17.3834 19.9458 -17.3834 0.429264 33.2794 19.9458 33.2794 -19.4596 GPRESSAVG: 1254600 49.9298 -20.6577 20.2201 -16.9707 0.686267 33.6251 19.7019 31.4792 -18.4907 TIMING: 1254600 CPU: 3978.67, 0.0032234/step Wall: 3978.67, 0.0032234/step, 3.35359 hours remaining, 237.343750 MB of memory in use. ENERGY: 1254600 3955.8817 20612.2602 14549.8000 240.9218 -203592.5258 2555.5340 0.0000 0.0000 52006.7608 -109671.3673 298.8836 -161678.1280 -109307.6349 298.6834 62.4021 85.6981 762030.4936 10.6050 10.7085 PRESSURE: 1254800 578.451 63.729 241.618 63.7291 387.795 228.048 241.618 228.048 146.716 GPRESSURE: 1254800 549.17 102.152 93.8705 112.051 422.137 235.873 208.585 155.285 237.383 PRESSAVG: 1254800 56.136 -18.0364 -68.8845 -18.0364 -47.9508 32.5489 -68.8845 32.549 -1.13521 GPRESSAVG: 1254800 55.2718 -16.1555 -69.2597 -18.4287 -46.2944 34.2637 -69.1171 31.4861 -1.65013 TIMING: 1254800 CPU: 3979.32, 0.00323458/step Wall: 3979.32, 0.00323458/step, 3.36504 hours remaining, 237.343750 MB of memory in use. ENERGY: 1254800 4029.4496 20519.2228 14461.0269 242.9448 -203666.1578 2783.9129 0.0000 0.0000 52101.1084 -109528.4925 299.4258 -161629.6009 -109161.0301 298.8504 370.9872 402.8966 760319.3055 2.3500 2.4424 PRESSURE: 1255000 203.425 212.184 146.564 212.184 46.3969 9.4443 146.565 9.44421 474.967 GPRESSURE: 1255000 250.11 263.043 30.0488 151.319 120.461 -6.07573 330.072 -4.53499 451.977 PRESSAVG: 1255000 24.7478 2.5252 -23.5574 2.52519 -15.7772 -23.6689 -23.5574 -23.6689 -7.52392 GPRESSAVG: 1255000 24.0132 2.77152 -24.2135 1.72479 -16.2904 -24.0107 -21.688 -22.3686 -6.21944 TIMING: 1255000 CPU: 3979.97, 0.00323628/step Wall: 3979.97, 0.00323628/step, 3.36663 hours remaining, 237.343750 MB of memory in use. ENERGY: 1255000 3922.1002 20580.6201 14446.9498 235.5702 -203447.0755 2684.6255 0.0000 0.0000 52030.1313 -109547.0785 299.0179 -161577.2097 -109189.2990 298.9650 241.5964 274.1827 762391.9882 0.4822 0.5011 PRESSURE: 1255200 260.917 112.599 9.93924 112.6 -27.5161 -94.4854 9.93905 -94.4862 345.693 GPRESSURE: 1255200 227.893 97.0456 37.9299 128.587 32.1327 -163.074 74.1113 -91.9853 412.112 PRESSAVG: 1255200 11.2665 4.48614 -25.1914 4.48608 -17.3985 6.97855 -25.1914 6.97855 8.12422 GPRESSAVG: 1255200 12.0836 4.52234 -25.3936 4.98555 -18.8425 4.96885 -26.0265 6.40411 8.19882 TIMING: 1255200 CPU: 3980.61, 0.0032152/step Wall: 3980.61, 0.0032152/step, 3.34452 hours remaining, 237.343750 MB of memory in use. ENERGY: 1255200 3977.0979 20473.2354 14504.0021 228.9977 -203864.9067 2931.3639 0.0000 0.0000 52427.2836 -109322.9261 301.3003 -161750.2097 -108955.9781 299.5783 193.0312 224.0458 761520.7085 0.6641 0.4800 PRESSURE: 1255400 -86.1997 -50.2497 -19.4103 -50.2487 -85.0208 -35.3581 -19.4101 -35.3591 247.704 GPRESSURE: 1255400 -88.2558 12.0992 -62.6421 -68.0297 -15.7638 -31.1765 -50.0552 -51.9777 256.859 PRESSAVG: 1255400 43.7325 -33.8146 -19.2497 -33.8146 -63.0012 -36.7293 -19.2497 -36.7293 -10.6984 GPRESSAVG: 1255400 46.1445 -33.3737 -19.0658 -33.5048 -63.7966 -35.8284 -18.296 -36.5459 -12.8328 TIMING: 1255400 CPU: 3981.26, 0.00322611/step Wall: 3981.26, 0.00322611/step, 3.35569 hours remaining, 237.343750 MB of memory in use. ENERGY: 1255400 4039.2486 20649.4400 14447.5933 252.8514 -203460.0045 2611.6939 0.0000 0.0000 52011.4837 -109447.6935 298.9107 -161459.1772 -109090.9021 299.3497 25.4945 50.9465 763019.5110 -9.9890 -10.1616 PRESSURE: 1255600 23.6664 268.677 12.4317 268.676 -293.004 12.0533 12.4322 12.0533 -61.2533 GPRESSURE: 1255600 47.4956 285.991 102.883 271.857 -227.317 23.3703 63.0902 -40.3697 -77.6226 PRESSAVG: 1255600 66.1089 37.9339 -15.6165 37.9338 -19.029 -43.2415 -15.6164 -43.2415 -0.779208 GPRESSAVG: 1255600 63.9198 38.3679 -14.9765 36.8029 -18.0678 -44.0721 -19.2111 -44.3151 0.238587 TIMING: 1255600 CPU: 3981.9, 0.0032121/step Wall: 3981.9, 0.0032121/step, 3.34094 hours remaining, 237.343750 MB of memory in use. ENERGY: 1255600 3895.2232 20545.4189 14459.6942 222.8970 -203248.9761 2613.4789 0.0000 0.0000 52010.1922 -109502.0719 298.9033 -161512.2640 -109134.2041 299.1364 -110.1971 -85.8148 763405.1740 15.4336 15.3635 PRESSURE: 1255800 -200.897 43.8723 -31.1632 43.8728 -163.17 3.40429 -31.1633 3.40353 226.628 GPRESSURE: 1255800 -159.862 90.1453 -5.62846 74.727 -165.673 30.2823 -72.7001 75.5074 248.99 PRESSAVG: 1255800 19.0787 61.6274 25.2506 61.6274 -51.711 10.059 25.2506 10.059 -2.67274 GPRESSAVG: 1255800 19.5233 60.8368 26.8518 61.9957 -51.9338 10.956 28.1634 14.9538 -2.51644 TIMING: 1255800 CPU: 3982.54, 0.00320558/step Wall: 3982.54, 0.00320558/step, 3.33399 hours remaining, 237.343750 MB of memory in use. ENERGY: 1255800 3988.6563 20677.1607 14486.5083 259.8494 -203207.3199 2642.5320 0.0000 0.0000 51886.5915 -109266.0218 298.1930 -161152.6134 -108900.4496 298.7364 -45.8132 -25.5148 762663.5299 -11.7683 -11.6423 PRESSURE: 1256000 50.9431 19.7508 -4.99962 19.751 -5.10093 97.7088 -4.99999 97.7089 96.996 GPRESSURE: 1256000 108.326 41.4231 40.1553 43.7282 20.1523 67.5589 -3.87685 -58.7005 80.728 PRESSAVG: 1256000 81.2209 2.23565 -47.8598 2.23565 -60.8768 -27.2984 -47.8598 -27.2983 4.99709 GPRESSAVG: 1256000 81.5182 1.30614 -50.8638 3.20773 -60.1268 -27.1553 -48.6339 -30.8392 3.54345 TIMING: 1256000 CPU: 3983.18, 0.00321679/step Wall: 3983.18, 0.00321679/step, 3.34546 hours remaining, 237.343750 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: 1256000 4054.9580 20493.9090 14397.4021 267.9379 -203438.4774 2926.4182 0.0000 0.0000 51991.7984 -109306.0538 298.7976 -161297.8522 -108961.4013 299.6515 47.6127 69.7354 763238.3583 8.4471 8.3116 PRESSURE: 1256200 38.9141 69.9218 -94.4798 69.9216 54.4843 -127.949 -94.479 -127.948 186.188 GPRESSURE: 1256200 75.4521 29.5851 -62.1293 3.68187 119.467 -163.773 -23.7974 -110.957 171.714 PRESSAVG: 1256200 22.2627 -29.7733 13.8195 -29.7733 -6.63977 -9.04697 13.8195 -9.04696 14.5702 GPRESSAVG: 1256200 21.6963 -29.2574 16.189 -31.0317 -7.21227 -10.7253 13.2115 -8.63169 15.549 TIMING: 1256200 CPU: 3983.82, 0.00318879/step Wall: 3983.82, 0.00318879/step, 3.31616 hours remaining, 237.343750 MB of memory in use. ENERGY: 1256200 4033.6209 20470.7779 14498.9237 258.1626 -203194.4314 2807.6576 0.0000 0.0000 51977.7409 -109147.5477 298.7168 -161125.2886 -108784.4812 299.3505 93.1956 122.2112 764384.1913 10.0644 10.0110 LDB: ============= START OF LOAD BALANCING ============== 3996.28 LDB: ============== END OF LOAD BALANCING =============== 3996.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3996.28 LDB: ============= START OF LOAD BALANCING ============== 3996.6 LDB: Largest compute 7029 load 0.035063 is 18.0% of average load 0.195221 LDB: Average compute 0.004420 is 2.3% of average load 0.195221 LDB: TIME 3996.6 LOAD: AVG 0.195221 MAX 0.212988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.344 MB LDB: TIME 3996.6 LOAD: AVG 0.195221 MAX 0.212988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: TIME 3996.6 LOAD: AVG 0.195221 MAX 0.212988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: ============== END OF LOAD BALANCING =============== 3996.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3996.61 PRESSURE: 1256400 -28.0665 -33.1829 -155.413 -33.1825 54.8917 -14.2237 -155.414 -14.2248 325.408 GPRESSURE: 1256400 81.8301 73.4495 -136.131 -124.612 31.0743 -70.6503 -212.138 179.106 305.453 PRESSAVG: 1256400 -51.3859 -41.9808 -5.41502 -41.9808 -31.3098 -1.09428 -5.41497 -1.09433 8.02373 GPRESSAVG: 1256400 -50.8498 -42.0991 -6.25236 -42.6851 -31.0482 3.00116 -3.11391 -0.5985 6.76733 TIMING: 1256400 CPU: 3984.48, 0.00327636/step Wall: 3984.48, 0.00327636/step, 3.40705 hours remaining, 236.320312 MB of memory in use. ENERGY: 1256400 3887.4149 20541.2040 14439.4382 241.5102 -202933.2960 2622.4219 0.0000 0.0000 52061.6265 -109139.6803 299.1989 -161201.3068 -108771.1665 299.5888 117.4110 139.4523 763079.0651 -24.8906 -25.0436 PRESSURE: 1256600 105.14 -68.0595 116.672 -68.0596 125.578 -76.9245 116.672 -76.9245 45.6682 GPRESSURE: 1256600 128.788 -157.003 37.4285 -1.54086 128.033 -97.4923 59.2964 -133.683 87.1165 PRESSAVG: 1256600 -32.1387 21.532 -26.61 21.5319 15.6456 -43.5474 -26.6101 -43.5474 7.64632 GPRESSAVG: 1256600 -33.2059 22.7193 -27.4872 22.9152 14.7373 -47.0784 -27.1972 -42.7005 9.41119 TIMING: 1256600 CPU: 3985.12, 0.00320365/step Wall: 3985.12, 0.00320365/step, 3.33126 hours remaining, 236.320312 MB of memory in use. ENERGY: 1256600 3956.5172 20590.1178 14538.9212 240.5301 -203186.2560 2653.8560 0.0000 0.0000 52268.2541 -108938.0595 300.3864 -161206.3137 -108570.2700 299.4964 92.1287 114.6456 763316.7693 -2.9489 -3.0191 PRESSURE: 1256800 -214.601 99.5587 -187.804 99.5585 -370.183 -82.3936 -187.805 -82.3938 -188.687 GPRESSURE: 1256800 -223.427 24.0203 -145.486 34.8499 -290.95 -127.377 -201.519 -69.9429 -160.682 PRESSAVG: 1256800 -53.975 33.6857 -26.2503 33.6857 46.0099 -30.856 -26.2503 -30.8559 -18.3532 GPRESSAVG: 1256800 -53.1621 33.7733 -24.8285 32.6044 45.9052 -30.2308 -26.7824 -32.5046 -18.3835 TIMING: 1256800 CPU: 3985.76, 0.00322246/step Wall: 3985.76, 0.00322246/step, 3.35064 hours remaining, 236.320312 MB of memory in use. ENERGY: 1256800 3986.0119 20626.6165 14436.7853 231.3915 -203237.9644 2513.5753 0.0000 0.0000 52359.3074 -109084.2764 300.9097 -161443.5838 -108719.7760 299.6858 -257.8239 -225.0195 763076.6458 -8.7727 -8.5468 PRESSURE: 1257000 -175.21 -79.8588 147.038 -79.8584 -201.967 26.921 147.038 26.9205 -377.462 GPRESSURE: 1257000 -160.238 -138.244 82.6482 46.6611 -164.337 -41.0729 142.49 66.321 -333.847 PRESSAVG: 1257000 1.19681 -28.1074 10.1493 -28.1074 2.52218 19.3616 10.1493 19.3616 1.23871 GPRESSAVG: 1257000 1.78701 -27.159 8.72904 -29.4882 3.11264 19.1265 10.3286 19.9264 -0.215624 TIMING: 1257000 CPU: 3986.41, 0.00323076/step Wall: 3986.41, 0.00323076/step, 3.35909 hours remaining, 236.320312 MB of memory in use. ENERGY: 1257000 3965.3830 20631.5158 14483.6913 233.7352 -202848.0487 2505.0124 0.0000 0.0000 51946.3664 -109082.3448 298.5365 -161028.7112 -108728.0840 299.8061 -251.5467 -219.4740 762756.2001 1.6526 1.5613 PRESSURE: 1257200 -103.388 167.028 -61.1796 167.027 158.47 -178.45 -61.1799 -178.45 52.318 GPRESSURE: 1257200 -74.766 29.3361 -69.7947 74.9536 181.948 -131.391 -27.9511 -33.0179 76.5874 PRESSAVG: 1257200 54.6622 -49.115 12.9686 -49.115 -39.6589 -20.6135 12.9686 -20.6135 -9.36713 GPRESSAVG: 1257200 54.3925 -48.2664 15.3443 -47.5287 -38.6193 -20.3843 13.0521 -19.8757 -10.0052 TIMING: 1257200 CPU: 3987.05, 0.00321876/step Wall: 3987.05, 0.00321876/step, 3.34644 hours remaining, 236.320312 MB of memory in use. ENERGY: 1257200 3917.1792 20637.3753 14477.0340 257.4209 -203536.4787 2725.1051 0.0000 0.0000 52275.8260 -109246.5383 300.4299 -161522.3643 -108876.2919 300.0167 35.7999 61.2564 760620.0724 1.8787 1.9226 PRESSURE: 1257400 -238.593 -23.6206 31.8567 -23.6209 -51.0406 5.14929 31.8557 5.14909 194.093 GPRESSURE: 1257400 -312.168 -35.4732 18.0261 0.598301 130.784 40.4405 47.559 38.7229 189.275 PRESSAVG: 1257400 1.56325 -60.0202 -24.4245 -60.0202 3.19557 9.84941 -24.4245 9.8493 22.8248 GPRESSAVG: 1257400 0.977666 -60.7169 -25.6213 -60.4295 1.79212 9.60624 -24.9125 9.84053 24.8126 TIMING: 1257400 CPU: 3987.69, 0.00319477/step Wall: 3987.69, 0.00319477/step, 3.32132 hours remaining, 236.320312 MB of memory in use. ENERGY: 1257400 4018.9083 20403.7832 14489.9756 242.4971 -203180.6644 2543.9447 0.0000 0.0000 52303.1173 -109178.4383 300.5867 -161481.5556 -108815.7590 300.0616 -31.8467 2.6304 762264.4369 9.1945 9.1941 PRESSURE: 1257600 -238.529 143.845 -236.073 143.845 293.22 -38.5225 -236.073 -38.5237 42.7626 GPRESSURE: 1257600 -241.662 71.7423 -166.556 25.9948 349.192 47.3109 -210.545 -58.9281 74.1892 PRESSAVG: 1257600 -48.1469 -15.0954 -44.5345 -15.0955 49.9439 -8.94423 -44.5345 -8.94427 -0.638741 GPRESSAVG: 1257600 -47.971 -15.5804 -45.1084 -13.9854 49.4339 -9.17252 -43.8618 -7.28839 -0.0732655 TIMING: 1257600 CPU: 3988.33, 0.0032053/step Wall: 3988.33, 0.0032053/step, 3.33209 hours remaining, 236.320312 MB of memory in use. ENERGY: 1257600 3965.0574 20458.0990 14411.5747 252.1652 -203183.3126 2596.1291 0.0000 0.0000 52073.0409 -109427.2463 299.2645 -161500.2872 -109067.6948 299.6472 32.4846 60.5729 761963.2042 0.3861 0.4632 PRESSURE: 1257800 285.924 -178.309 0.677573 -178.308 -171.526 -30.2009 0.676112 -30.202 116.31 GPRESSURE: 1257800 299.184 -211.795 -40.0733 -179.435 -129.63 14.114 -12.3914 -232.217 150.393 PRESSAVG: 1257800 -0.367761 -39.0804 -20.601 -39.0805 -8.81252 -50.3963 -20.601 -50.3963 15.1705 GPRESSAVG: 1257800 -1.08527 -39.6935 -19.3894 -37.5551 -7.19677 -49.4806 -20.1109 -52.6245 14.8526 TIMING: 1257800 CPU: 3988.97, 0.00320132/step Wall: 3988.97, 0.00320132/step, 3.32777 hours remaining, 236.320312 MB of memory in use. ENERGY: 1257800 3949.6911 20504.2256 14384.8952 222.7817 -203437.4816 2778.3586 0.0000 0.0000 51883.4641 -109714.0653 298.1750 -161597.5294 -109356.8186 298.6466 76.9029 106.6490 762380.7473 1.9967 2.1902 PRESSURE: 1258000 -17.577 -99.4706 54.942 -99.4717 -80.9624 -124.556 54.942 -124.556 188.611 GPRESSURE: 1258000 -61.4429 43.2587 115.49 -11.1315 34.0349 -127.589 89.7288 -64.5795 202.831 PRESSAVG: 1258000 2.91816 -32.8566 -35.3156 -32.8566 0.322722 -64.8095 -35.3156 -64.8095 -6.69129 GPRESSAVG: 1258000 2.29148 -32.6 -35.8519 -35.0497 0.30985 -65.4419 -35.2556 -64.2157 -6.13748 TIMING: 1258000 CPU: 3989.61, 0.00321242/step Wall: 3989.61, 0.00321242/step, 3.33913 hours remaining, 236.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1258000 3916.1267 20454.3908 14512.6635 247.4886 -203492.8347 2904.2212 0.0000 0.0000 51994.1088 -109463.8351 298.8109 -161457.9439 -109107.9851 298.7168 30.0239 58.4742 761253.0182 -1.1501 -1.1787 PRESSURE: 1258200 129.53 9.13564 -81.9128 9.13635 -342.375 20.5354 -81.9138 20.535 38.275 GPRESSURE: 1258200 218.813 64.644 -55.679 -3.62547 -309.471 6.1121 -51.1084 31.9902 6.31979 PRESSAVG: 1258200 19.9779 27.4238 -0.932692 27.4238 -37.9677 -34.1244 -0.93275 -34.1244 -24.2924 GPRESSAVG: 1258200 21.1538 27.7176 -0.399146 28.2858 -38.2747 -34.511 -0.87579 -33.9859 -25.4319 TIMING: 1258200 CPU: 3990.25, 0.00319878/step Wall: 3990.25, 0.00319878/step, 3.32478 hours remaining, 236.320312 MB of memory in use. ENERGY: 1258200 4056.0691 20412.6607 14449.8543 248.0079 -203107.2093 2484.7523 0.0000 0.0000 51957.8941 -109497.9709 298.6027 -161455.8650 -109151.4714 299.1904 -58.1898 -28.1128 760457.6645 -14.0940 -14.1842 PRESSURE: 1258400 353.612 -34.4646 164.956 -34.465 90.1665 -68.364 164.957 -68.3645 6.97958 GPRESSURE: 1258400 378.93 -66.4043 129.043 -112.758 146.518 -39.3559 45.9261 -141.014 8.58214 PRESSAVG: 1258400 75.2192 -41.2966 -37.1588 -41.2967 -67.724 -7.6921 -37.1589 -7.69215 21.3868 GPRESSAVG: 1258400 76.0224 -43.4279 -36.9845 -38.9003 -69.8978 -7.71999 -39.1632 -6.62824 22.8264 TIMING: 1258400 CPU: 3990.89, 0.00318788/step Wall: 3990.89, 0.00318788/step, 3.31327 hours remaining, 236.320312 MB of memory in use. ENERGY: 1258400 3982.3414 20537.4261 14511.0430 236.2449 -203730.2317 2969.6165 0.0000 0.0000 52085.8057 -109407.7542 299.3378 -161493.5599 -109050.8601 299.2299 150.2528 178.0099 759264.4491 9.6274 9.6503 PRESSURE: 1258600 -264.79 -24.2091 -38.5808 -24.2091 -314.863 262.979 -38.5815 262.98 -157.21 GPRESSURE: 1258600 -302.368 61.6967 7.29086 42.4417 -238.638 310.094 -87.9602 303.953 -132.231 PRESSAVG: 1258600 22.6287 -23.7677 13.4522 -23.7677 8.16042 17.5037 13.4523 17.5037 7.95302 GPRESSAVG: 1258600 21.282 -24.3964 13.6243 -25.3521 10.6235 19.3073 16.1833 13.9498 6.4691 TIMING: 1258600 CPU: 3991.53, 0.00320667/step Wall: 3991.53, 0.00320667/step, 3.33262 hours remaining, 236.320312 MB of memory in use. ENERGY: 1258600 4020.5873 20466.5449 14509.4164 242.0193 -203285.1173 2270.3413 0.0000 0.0000 52352.4201 -109423.7880 300.8701 -161776.2081 -109053.1531 299.5529 -245.6214 -224.4122 760687.4751 12.9141 12.7915 PRESSURE: 1258800 86.8958 51.1129 -9.73785 51.1139 163.63 35.6305 -9.73868 35.6303 191.285 GPRESSURE: 1258800 160.378 -22.0555 -122.233 81.0426 106.423 -3.05264 -212.226 88.7472 272.875 PRESSAVG: 1258800 34.3094 -21.335 -41.6196 -21.335 -17.7108 25.1954 -41.6196 25.1954 -27.0115 GPRESSAVG: 1258800 34.2289 -19.876 -42.6189 -20.4628 -18.2838 23.6238 -43.8053 26.7023 -26.7391 TIMING: 1258800 CPU: 3992.17, 0.00319114/step Wall: 3992.17, 0.00319114/step, 3.31631 hours remaining, 236.320312 MB of memory in use. ENERGY: 1258800 4004.9388 20468.0805 14522.7993 254.3622 -203805.7663 3068.2610 0.0000 0.0000 51957.9320 -109529.3926 298.6029 -161487.3246 -109173.0430 299.3745 147.2702 179.8922 761504.6466 -3.4710 -3.5980 PRESSURE: 1259000 -162.568 -50.2972 -68.3399 -50.2976 -264.659 -196.558 -68.3392 -196.558 127.721 GPRESSURE: 1259000 -49.1551 -21.5555 89.1028 -156.029 -384.814 -197.34 -161.869 -237.582 219.45 PRESSAVG: 1259000 -4.89438 -20.8268 10.4369 -20.8268 9.11576 -16.3301 10.4369 -16.3302 23.2232 GPRESSAVG: 1259000 -3.83987 -21.1093 12.6544 -22.5817 9.04647 -16.659 10.5711 -14.0137 22.442 TIMING: 1259000 CPU: 3992.8, 0.00317201/step Wall: 3992.8, 0.00317201/step, 3.29625 hours remaining, 236.320312 MB of memory in use. ENERGY: 1259000 4007.2907 20567.4447 14493.1435 249.7980 -203243.6442 2372.3703 0.0000 0.0000 52014.2133 -109539.3836 298.9264 -161553.5969 -109186.0248 298.7198 -99.8353 -71.5063 761095.8084 9.1482 9.2162 PRESSURE: 1259200 -152.707 -8.04834 -224.607 -8.04762 -151.35 224.816 -224.607 224.816 -351.664 GPRESSURE: 1259200 -117.918 -20.5897 -169.577 66.9582 -102.818 228.854 -107.169 210.456 -337.446 PRESSAVG: 1259200 25.024 -26.2158 12.7236 -26.2158 -30.9672 -36.9525 12.7237 -36.9524 -14.7981 GPRESSAVG: 1259200 24.9181 -25.7589 11.0174 -25.4137 -31.1146 -37.3096 14.8564 -38.5234 -14.4929 TIMING: 1259200 CPU: 3993.44, 0.00319463/step Wall: 3993.44, 0.00319463/step, 3.31957 hours remaining, 236.320312 MB of memory in use. ENERGY: 1259200 4103.7685 20414.9768 14476.9617 241.5240 -203333.4926 2654.3483 0.0000 0.0000 51856.6401 -109585.2732 298.0208 -161441.9132 -109227.3835 299.2892 -218.5738 -186.0608 762784.6703 -6.9138 -6.8964 PRESSURE: 1259400 136.698 70.4741 -18.8117 70.4743 221.79 -248.712 -18.8124 -248.711 54.1632 GPRESSURE: 1259400 179.94 -11.894 47.8245 -66.7274 265.498 -288.596 -48.7547 -211.762 86.6576 PRESSAVG: 1259400 -62.8817 18.2522 -7.13289 18.2522 23.2912 6.06723 -7.13297 6.06721 0.183945 GPRESSAVG: 1259400 -62.9147 16.291 -7.39078 18.0659 23.0718 7.09084 -7.828 5.2665 0.560315 TIMING: 1259400 CPU: 3994.09, 0.00320771/step Wall: 3994.09, 0.00320771/step, 3.33299 hours remaining, 236.320312 MB of memory in use. ENERGY: 1259400 3986.4935 20335.9928 14415.7412 240.1728 -203514.5030 3067.7521 0.0000 0.0000 51848.6091 -109619.7415 297.9747 -161468.3506 -109257.1302 298.5571 137.5505 177.3649 762120.1841 -13.1355 -13.0942 PRESSURE: 1259600 167.432 -119.009 -239.394 -119.01 -232.191 211.756 -239.394 211.756 368.948 GPRESSURE: 1259600 200.768 2.67374 -192.847 9.14856 -224.711 180.505 -140.703 137.038 420.989 PRESSAVG: 1259600 -29.9038 -21.6039 -58.117 -21.604 -28.7671 -29.919 -58.117 -29.919 5.40125 GPRESSAVG: 1259600 -30.5686 -18.9216 -57.8195 -21.5716 -27.4571 -30.9124 -58.2214 -27.096 4.83251 TIMING: 1259600 CPU: 3994.72, 0.00319108/step Wall: 3994.72, 0.00319108/step, 3.31553 hours remaining, 236.320312 MB of memory in use. ENERGY: 1259600 4004.1034 20586.5242 14477.4308 266.1710 -203456.4784 2669.0784 0.0000 0.0000 51782.9579 -109670.2126 297.5974 -161453.1705 -109312.3364 298.5565 101.3963 132.3488 760329.9286 -17.7566 -17.7311 PRESSURE: 1259800 38.5853 16.7636 115.662 16.764 -4.67796 207.501 115.662 207.5 265.268 GPRESSURE: 1259800 6.7884 -61.7435 73.8861 -3.53667 53.3675 222.258 -7.96241 90.2275 316.372 PRESSAVG: 1259800 -31.238 46.6111 5.92958 46.611 32.3084 -20.1566 5.92958 -20.1567 -10.4552 GPRESSAVG: 1259800 -31.6648 44.7564 6.60877 47.3292 32.7784 -20.8868 5.70358 -21.9636 -10.782 TIMING: 1259800 CPU: 3995.36, 0.00317641/step Wall: 3995.36, 0.00317641/step, 3.30011 hours remaining, 236.320312 MB of memory in use. ENERGY: 1259800 3983.9919 20595.8525 14380.1702 246.1333 -203516.2550 2734.7727 0.0000 0.0000 51962.2561 -109613.0782 298.6278 -161575.3344 -109249.1257 298.8902 99.7252 125.5095 761325.3631 -3.1283 -3.2228 PRESSURE: 1260000 180.152 -204.651 -102.648 -204.651 234.331 -197.018 -102.647 -197.019 308.481 GPRESSURE: 1260000 262.521 -35.5471 -130.068 -245.338 254.406 -285.525 -81.3853 -49.579 295.558 PRESSAVG: 1260000 60.3232 -6.26967 -4.42164 -6.26968 -54.6524 2.1682 -4.42168 2.16815 -10.1021 GPRESSAVG: 1260000 61.461 -5.22636 -4.95813 -6.59576 -56.8261 3.8535 -4.65994 1.52731 -9.03514 TIMING: 1260000 CPU: 3996, 0.00320219/step Wall: 3996, 0.00320219/step, 3.32672 hours remaining, 236.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1260000 3965.6662 20565.9937 14429.1614 241.3791 -203800.8605 2992.5255 0.0000 0.0000 51994.2352 -109611.8994 298.8116 -161606.1346 -109245.3909 298.6517 240.9878 270.8282 762802.1804 -1.4771 -1.4667 PRESSURE: 1260200 -168.933 175.724 -151.505 175.724 170.418 24.8294 -151.505 24.8293 -20.2782 GPRESSURE: 1260200 -208.749 223.171 -132.674 189.858 249.231 116.092 -84.3937 -92.2006 18.3364 PRESSAVG: 1260200 -2.78348 16.6672 12.7934 16.6672 27.414 -60.5818 12.7934 -60.5817 -9.71707 GPRESSAVG: 1260200 -3.33767 17.2317 12.051 14.5683 28.0912 -59.9785 12.4403 -61.9144 -9.85193 TIMING: 1260200 CPU: 3996.64, 0.00320854/step Wall: 3996.64, 0.00320854/step, 3.33314 hours remaining, 236.320312 MB of memory in use. ENERGY: 1260200 4032.3021 20531.1623 14472.1909 242.4413 -203315.4689 2416.3746 0.0000 0.0000 52146.3903 -109474.6075 299.6860 -161620.9978 -109104.7491 298.8303 -6.2644 19.6065 760768.8706 4.9711 4.9672 LDB: ============= START OF LOAD BALANCING ============== 4009.1 LDB: ============== END OF LOAD BALANCING =============== 4009.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4009.1 LDB: ============= START OF LOAD BALANCING ============== 4009.42 LDB: Largest compute 7060 load 0.038633 is 19.8% of average load 0.195070 LDB: Average compute 0.004418 is 2.3% of average load 0.195070 LDB: TIME 4009.42 LOAD: AVG 0.19507 MAX 0.213979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.344 MB LDB: TIME 4009.42 LOAD: AVG 0.19507 MAX 0.213979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: TIME 4009.42 LOAD: AVG 0.19507 MAX 0.213979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: ============== END OF LOAD BALANCING =============== 4009.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4009.43 PRESSURE: 1260400 511.159 -88.3537 130.861 -88.3532 80.0168 -374.292 130.861 -374.292 278.414 GPRESSURE: 1260400 553.634 -52.6004 24.189 -226.274 119.055 -426.658 56.2518 -132.593 280.579 PRESSAVG: 1260400 18.203 -33.0222 -7.65964 -33.0222 0.602201 -34.318 -7.65971 -34.318 0.575622 GPRESSAVG: 1260400 18.6001 -33.6843 -7.76455 -33.7256 -0.361745 -37.7676 -6.35153 -30.6685 1.11745 TIMING: 1260400 CPU: 3997.3, 0.00327393/step Wall: 3997.3, 0.00327393/step, 3.40088 hours remaining, 237.894531 MB of memory in use. ENERGY: 1260400 3969.8566 20553.2342 14419.7621 245.9815 -203439.5762 2698.2605 0.0000 0.0000 52275.7311 -109276.7502 300.4293 -161552.4813 -108907.3440 299.4078 289.8631 317.7557 762556.8921 6.4603 6.4519 PRESSURE: 1260600 115.593 -76.2714 -86.9866 -76.2715 -54.3754 -150.511 -86.9851 -150.511 35.4518 GPRESSURE: 1260600 174.244 -67.4004 -46.7 -105.492 -30.4603 -159.598 -149.597 -98.3309 38.6948 PRESSAVG: 1260600 40.415 -19.6155 -29.0754 -19.6155 -16.2804 -37.9564 -29.0755 -37.9564 24.6249 GPRESSAVG: 1260600 40.0413 -20.0144 -29.6975 -18.3195 -15.5749 -36.3757 -29.2063 -39.0499 24.1705 TIMING: 1260600 CPU: 3997.93, 0.00318421/step Wall: 3997.93, 0.00318421/step, 3.30751 hours remaining, 238.097656 MB of memory in use. ENERGY: 1260600 3960.8582 20587.7795 14473.8651 239.8652 -203669.0237 2706.4564 0.0000 0.0000 52422.7711 -109277.4280 301.2744 -161700.1991 -108914.6718 299.7107 32.2231 60.8260 763565.5947 16.2532 16.2123 PRESSURE: 1260800 282.057 -116.814 -13.0297 -116.815 210.051 131.797 -13.0293 131.797 -188.057 GPRESSURE: 1260800 178.384 -122.683 -48.2805 -110.433 281.04 191.663 -32.1881 79.0853 -78.2157 PRESSAVG: 1260800 26.9129 -44.8907 -44.646 -44.8907 -33.5731 -24.8475 -44.6461 -24.8475 22.694 GPRESSAVG: 1260800 27.7686 -44.9735 -43.2361 -43.2338 -33.6322 -23.789 -44.1726 -25.9412 21.9269 TIMING: 1260800 CPU: 3998.57, 0.00318777/step Wall: 3998.57, 0.00318777/step, 3.31103 hours remaining, 238.097656 MB of memory in use. ENERGY: 1260800 3985.3706 20564.4632 14388.8495 261.4337 -203723.9805 2882.6328 0.0000 0.0000 52194.4445 -109446.7861 299.9622 -161641.2306 -109078.3161 299.4839 101.3506 127.0693 762615.1930 5.3446 5.3544 PRESSURE: 1261000 -605.51 -91.2837 -32.2168 -91.2833 -94.4051 -22.3717 -32.217 -22.3715 -482.072 GPRESSURE: 1261000 -529.588 -146.675 0.873739 -57.7448 -80.7126 -18.1223 16.2976 7.31507 -489.8 PRESSAVG: 1261000 7.73902 -26.6783 21.37 -26.6784 -0.897475 -19.1781 21.37 -19.178 5.0633 GPRESSAVG: 1261000 6.96287 -25.0036 22.2848 -28.2887 -1.15786 -20.6723 20.9233 -18.326 6.55555 TIMING: 1261000 CPU: 3999.21, 0.00318511/step Wall: 3999.21, 0.00318511/step, 3.30809 hours remaining, 238.097656 MB of memory in use. ENERGY: 1261000 4008.6598 20535.0897 14387.4477 231.3425 -203264.3575 2408.9477 0.0000 0.0000 52144.3671 -109548.5030 299.6744 -161692.8701 -109177.2931 299.2671 -393.9954 -366.7003 764201.9794 3.9683 4.1202 PRESSURE: 1261200 -109.59 83.1854 171.43 83.1853 -146.809 -55.8293 171.43 -55.8301 -6.90963 GPRESSURE: 1261200 -126.186 69.049 134.921 16.9289 -41.5435 -49.6194 207.601 -14.6653 4.73389 PRESSAVG: 1261200 0.200415 -1.24497 6.28789 -1.24492 6.47258 34.4942 6.28788 34.4941 -4.98659 GPRESSAVG: 1261200 0.0848385 -2.44502 4.7064 -0.650718 8.13999 34.6078 6.4696 33.8163 -6.35248 TIMING: 1261200 CPU: 3999.84, 0.00318426/step Wall: 3999.84, 0.00318426/step, 3.30703 hours remaining, 238.097656 MB of memory in use. ENERGY: 1261200 4006.9727 20605.7255 14352.8531 230.6064 -203463.8251 2706.0403 0.0000 0.0000 52024.3608 -109537.2664 298.9847 -161561.6271 -109180.7047 299.4650 -87.7696 -54.3317 763536.5922 0.5621 0.6241 PRESSURE: 1261400 -71.2323 -75.8463 -45.8903 -75.8471 -277.339 214.067 -45.8903 214.067 -77.8962 GPRESSURE: 1261400 -44.319 38.2806 -94.8984 -46.3766 -256.975 165.161 -114.632 147.957 -44.281 PRESSAVG: 1261400 11.5912 1.72787 -3.98321 1.72786 7.29637 19.0151 -3.98325 19.0152 -5.87442 GPRESSAVG: 1261400 11.5162 2.05456 -3.47634 1.50696 8.12608 19.8394 -4.7827 18.8826 -7.10566 TIMING: 1261400 CPU: 4000.48, 0.00319672/step Wall: 4000.48, 0.00319672/step, 3.31979 hours remaining, 238.097656 MB of memory in use. ENERGY: 1261400 4066.8783 20551.4059 14434.8115 272.7021 -203335.8630 2509.5312 0.0000 0.0000 51928.8017 -109571.7322 298.4355 -161500.5339 -109209.3294 299.3019 -142.1557 -115.1916 762551.1665 4.3377 4.1789 PRESSURE: 1261600 -52.8218 -91.8684 146.763 -91.8684 -276.391 99.7845 146.763 99.7842 -345.485 GPRESSURE: 1261600 -29.3355 -125.489 230.162 18.2627 -235.904 80.4148 235.872 67.7551 -330.903 PRESSAVG: 1261600 -14.2451 -23.1426 14.5933 -23.1426 -1.20702 -12.3079 14.5933 -12.3079 -22.3733 GPRESSAVG: 1261600 -13.3753 -22.5272 14.8312 -22.6219 -2.75996 -11.7597 15.2972 -13.3983 -21.7731 TIMING: 1261600 CPU: 4001.12, 0.0031865/step Wall: 4001.12, 0.0031865/step, 3.30901 hours remaining, 238.097656 MB of memory in use. ENERGY: 1261600 3970.5809 20584.4213 14435.6989 252.9642 -203604.1675 2709.6891 0.0000 0.0000 51970.0450 -109680.7682 298.6726 -161650.8132 -109321.0643 298.8111 -224.8993 -198.7141 762545.8381 -12.6085 -12.6361 PRESSURE: 1261800 41.8672 22.6184 -29.3936 22.6183 -102.687 13.0738 -29.3941 13.0738 -20.8705 GPRESSURE: 1261800 44.0095 -24.0741 -57.6048 73.5077 -82.1164 16.2774 -46.4242 179.092 48.6239 PRESSAVG: 1261800 5.05394 12.3655 45.8465 12.3655 21.3173 74.8592 45.8464 74.8592 32.7123 GPRESSAVG: 1261800 4.83289 13.4808 44.3168 11.2236 21.3511 75.8253 47.0215 77.0079 32.765 TIMING: 1261800 CPU: 4001.76, 0.00321793/step Wall: 4001.76, 0.00321793/step, 3.34146 hours remaining, 238.097656 MB of memory in use. ENERGY: 1261800 3936.7548 20482.0184 14409.8912 245.1453 -203665.4638 2773.4340 0.0000 0.0000 52259.4846 -109558.7355 300.3360 -161818.2201 -109191.1657 298.7467 -27.2300 3.5057 761594.7411 19.6945 19.6497 PRESSURE: 1262000 94.3906 90.6534 -18.2251 90.6537 0.922877 201.913 -18.2259 201.915 -222.477 GPRESSURE: 1262000 142.042 -22.7515 -21.3358 45.7075 -19.6986 164.508 -43.3341 188.348 -168.792 PRESSAVG: 1262000 46.796 22.805 -44.2381 22.805 -49.1464 46.6709 -44.238 46.6707 9.55787 GPRESSAVG: 1262000 45.773 18.3443 -42.7565 25.091 -49.0403 44.9141 -44.3724 47.1319 10.1914 TIMING: 1262000 CPU: 4002.41, 0.00321053/step Wall: 4002.41, 0.00321053/step, 3.3336 hours remaining, 238.097656 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: 1262000 3997.1537 20585.1298 14526.8464 245.5202 -203531.1616 2550.8936 0.0000 0.0000 51940.6560 -109684.9619 298.5037 -161625.6179 -109323.9035 298.9370 -42.3879 -15.4826 761920.0462 2.4025 2.3080 PRESSURE: 1262200 -121.955 -125.917 -147.872 -125.917 -20.1503 140.588 -147.871 140.587 -410.952 GPRESSURE: 1262200 -128.476 -13.1608 -177.922 -6.5961 3.26011 50.977 -39.6128 180.026 -346.031 PRESSAVG: 1262200 18.0956 -12.1187 55.8468 -12.1187 -10.3705 -1.6731 55.8467 -1.67316 2.35032 GPRESSAVG: 1262200 18.5849 -8.8612 56.5278 -12.1041 -9.41123 0.302841 55.3401 -4.55937 1.1462 TIMING: 1262200 CPU: 4003.05, 0.00319376/step Wall: 4003.05, 0.00319376/step, 3.31601 hours remaining, 238.097656 MB of memory in use. ENERGY: 1262200 3960.1409 20306.2565 14458.5309 263.5973 -203353.7996 2488.9325 0.0000 0.0000 52098.4264 -109777.9149 299.4104 -161876.3413 -109410.7544 298.5105 -184.3524 -157.0822 762793.2537 3.3585 3.4399 PRESSURE: 1262400 -15.9831 24.1485 83.2719 24.1481 85.1345 82.1609 83.2713 82.1617 163.454 GPRESSURE: 1262400 123.035 17.4986 60.4652 42.113 10.5126 87.4308 147.683 102.45 182.48 PRESSAVG: 1262400 47.8249 20.6585 28.4538 20.6585 -16.4615 35.6264 28.4539 35.6264 -21.6107 GPRESSAVG: 1262400 47.6805 19.2806 27.1016 19.5627 -16.5529 35.0837 27.1442 36.1154 -21.2458 TIMING: 1262400 CPU: 4003.69, 0.00321299/step Wall: 4003.69, 0.003213/step, 3.3358 hours remaining, 238.097656 MB of memory in use. ENERGY: 1262400 3994.7901 20703.2109 14468.6094 238.0509 -203505.8825 2718.5200 0.0000 0.0000 51661.5443 -109721.1569 296.8996 -161382.7012 -109367.5921 298.2132 77.5351 105.3425 761529.7110 3.2509 3.2939 PRESSURE: 1262600 12.6762 68.4292 -255.529 68.4288 -361.099 -103.041 -255.528 -103.041 -210.749 GPRESSURE: 1262600 65.2376 44.0151 -186.612 31.8207 -351.986 -33.1694 -231.875 -86.179 -190.375 PRESSAVG: 1262600 52.284 15.4157 27.7017 15.4157 -105.305 2.22267 27.7016 2.22267 -4.874 GPRESSAVG: 1262600 51.4888 16.2587 28.6584 17.1219 -105.064 1.52294 26.9562 4.76089 -4.10948 TIMING: 1262600 CPU: 4004.33, 0.00323072/step Wall: 4004.33, 0.00323072/step, 3.35403 hours remaining, 238.097656 MB of memory in use. ENERGY: 1262600 4023.5987 20735.6150 14493.2587 249.9031 -203327.8905 2441.7383 0.0000 0.0000 51740.8152 -109642.9615 297.3552 -161383.7767 -109286.9524 298.2603 -186.3907 -159.0410 764190.3198 -19.2982 -19.2281 PRESSURE: 1262800 -113.937 -61.6682 -57.0664 -61.6689 172.916 -19.6452 -57.0663 -19.645 43.8321 GPRESSURE: 1262800 -95.16 -160.897 -46.8102 83.8651 207.071 -24.6682 -49.3922 51.9786 55.7918 PRESSAVG: 1262800 26.5581 -38.1911 -29.8365 -38.1911 -54.634 12.4405 -29.8365 12.4406 -4.8964 GPRESSAVG: 1262800 26.9245 -39.0186 -29.6081 -39.1741 -54.6384 12.3025 -29.7343 11.3876 -5.23132 TIMING: 1262800 CPU: 4004.98, 0.00322087/step Wall: 4004.98, 0.00322087/step, 3.34362 hours remaining, 238.097656 MB of memory in use. ENERGY: 1262800 4001.4235 20512.7473 14472.7953 238.9647 -203458.6793 2569.3078 0.0000 0.0000 52121.6900 -109541.7507 299.5441 -161663.4407 -109181.2317 299.0412 34.2703 55.9008 763856.2400 -10.9907 -10.9818 PRESSURE: 1263000 157.721 -238.085 -149.391 -238.085 -237.515 -67.7629 -149.391 -67.7618 -258.407 GPRESSURE: 1263000 192.839 -157.287 -187.83 -127.553 -215.653 31.424 -131.898 -100.549 -240.841 PRESSAVG: 1263000 23.0245 -47.2714 15.9007 -47.2714 19.9525 -16.6191 15.9007 -16.6191 4.33275 GPRESSAVG: 1263000 23.4845 -46.9286 13.5819 -47.6169 18.4512 -17.202 16.8109 -17.6215 5.24454 TIMING: 1263000 CPU: 4005.62, 0.00321929/step Wall: 4005.62, 0.00321929/step, 3.3418 hours remaining, 238.097656 MB of memory in use. ENERGY: 1263000 3974.5921 20645.3602 14463.3635 241.8738 -203749.7126 2596.5334 0.0000 0.0000 52267.5205 -109560.4691 300.3822 -161827.9896 -109193.4202 299.3320 -112.7338 -87.8848 760590.3204 15.7699 15.7267 PRESSURE: 1263200 -292.959 -144.261 117.728 -144.26 -389.55 -13.6459 117.728 -13.6457 -90.1017 GPRESSURE: 1263200 -305.742 -107.752 9.47911 -106.722 -249.977 8.75859 76.216 -20.2199 -124.5 PRESSAVG: 1263200 -5.5889 -53.6997 -36.6696 -53.6997 28.0286 -59.4646 -36.6697 -59.4646 20.0896 GPRESSAVG: 1263200 -5.11822 -52.8151 -37.0965 -52.1779 27.7402 -58.7595 -36.4249 -59.6154 19.718 TIMING: 1263200 CPU: 4006.26, 0.00320659/step Wall: 4006.26, 0.00320659/step, 3.32845 hours remaining, 238.097656 MB of memory in use. ENERGY: 1263200 3974.7952 20645.4561 14426.0353 241.2468 -203350.2849 2442.4923 0.0000 0.0000 51986.4688 -109633.7905 298.7670 -161620.2592 -109264.5790 298.8643 -257.5370 -226.7397 762522.6049 14.1764 14.1133 PRESSURE: 1263400 -255.22 -180.033 9.59461 -180.033 -209.486 102.122 9.59382 102.122 -139.986 GPRESSURE: 1263400 -251.93 -143.465 46.8284 -155.952 -116.67 -34.2158 72.9241 -31.0643 -148.031 PRESSAVG: 1263400 -12.7873 -30.2906 -15.3477 -30.2907 14.3404 15.089 -15.3477 15.089 -12.1127 GPRESSAVG: 1263400 -13.1912 -29.3591 -13.7617 -32.9106 16.0934 14.9648 -16.5423 14.0893 -13.332 TIMING: 1263400 CPU: 4006.91, 0.00324256/step Wall: 4006.91, 0.00324256/step, 3.3656 hours remaining, 238.097656 MB of memory in use. ENERGY: 1263400 4071.7868 20607.9765 14334.7523 242.4041 -203670.4963 2636.6043 0.0000 0.0000 51949.3380 -109827.6342 298.5536 -161776.9722 -109460.9062 298.5323 -201.5637 -172.2102 762426.1019 -3.5198 -3.4766 PRESSURE: 1263600 253.373 -55.9685 -60.2197 -55.9683 111.554 0.669386 -60.2193 0.668343 245.689 GPRESSURE: 1263600 292.176 166.435 -30.6346 -68.226 136.484 52.566 -86.483 -45.6918 259.078 PRESSAVG: 1263600 -23.8031 -13.2104 -12.2937 -13.2104 7.07423 -34.2342 -12.2938 -34.2343 13.59 GPRESSAVG: 1263600 -23.5625 -13.6654 -13.5106 -11.5305 5.56735 -33.4415 -11.7215 -34.578 14.4716 TIMING: 1263600 CPU: 4007.56, 0.00322793/step Wall: 4007.56, 0.00322794/step, 3.35024 hours remaining, 238.097656 MB of memory in use. ENERGY: 1263600 3958.4842 20624.7603 14392.7132 241.4860 -203499.8173 2698.9918 0.0000 0.0000 51790.1628 -109793.2190 297.6388 -161583.3818 -109439.1448 298.2477 203.5385 229.2461 762545.3106 -1.0463 -1.1745 PRESSURE: 1263800 -236.406 187.848 -132.821 187.848 -62.5952 -150.691 -132.821 -150.692 -184.765 GPRESSURE: 1263800 -163.68 83.7144 -49.5588 128.067 -62.3883 -141.056 -221.88 -107.182 -154.45 PRESSAVG: 1263800 -84.0661 -17.4447 -55.5207 -17.4447 70.9961 -17.0125 -55.5207 -17.0124 9.68913 GPRESSAVG: 1263800 -85.1078 -15.6363 -54.0513 -18.4417 71.4092 -18.0261 -57.1413 -16.5294 9.86236 TIMING: 1263800 CPU: 4008.2, 0.00322069/step Wall: 4008.2, 0.00322069/step, 3.34254 hours remaining, 238.097656 MB of memory in use. ENERGY: 1263800 4127.1662 20306.0038 14441.1876 233.8443 -203387.8441 2571.5221 0.0000 0.0000 51797.5930 -109910.5271 297.6815 -161708.1201 -109551.4564 298.2119 -161.2554 -126.8393 761009.7086 -1.1269 -1.2787 PRESSURE: 1264000 -71.1759 -67.8028 -66.15 -67.8018 99.5408 91.3385 -66.1499 91.3381 -293.104 GPRESSURE: 1264000 -12.339 -37.6028 -145.391 -43.6579 146.194 39.6854 127.862 65.0384 -327.021 PRESSAVG: 1264000 -44.2264 24.2116 -35.0792 24.2116 65.6753 -9.21874 -35.0791 -9.21877 -11.1064 GPRESSAVG: 1264000 -44.1875 24.3213 -34.7368 25.2881 67.7913 -9.63704 -34.8583 -8.93403 -13.2097 TIMING: 1264000 CPU: 4008.84, 0.00318151/step Wall: 4008.84, 0.00318151/step, 3.3017 hours remaining, 238.097656 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: 1264000 4020.6865 20505.6225 14464.6519 273.7159 -203601.8754 2688.4592 0.0000 0.0000 51967.1720 -109681.5673 298.6561 -161648.7393 -109328.5588 298.4684 -88.2463 -64.3884 762964.3991 3.4475 3.4647 PRESSURE: 1264200 -54.11 188.379 -151.089 188.378 -19.0061 41.8082 -151.089 41.8085 -214.622 GPRESSURE: 1264200 -41.6728 164.647 -55.0921 257.399 14.1777 29.8228 -151.953 -33.0433 -170.323 PRESSAVG: 1264200 -6.72963 -8.1663 24.3123 -8.16627 15.7216 -31.5285 24.3123 -31.5285 -4.28272 GPRESSAVG: 1264200 -6.60152 -9.7715 24.6827 -7.58369 14.8904 -32.2053 24.1407 -31.0949 -3.73235 TIMING: 1264200 CPU: 4009.47, 0.00318185/step Wall: 4009.47, 0.00318185/step, 3.30187 hours remaining, 238.097656 MB of memory in use. ENERGY: 1264200 3969.9552 20595.6512 14438.1063 242.7323 -203296.3972 2490.8038 0.0000 0.0000 51908.0384 -109651.1101 298.3162 -161559.1484 -109293.0231 299.2553 -95.9127 -65.9394 763070.3660 1.5697 1.5188 LDB: ============= START OF LOAD BALANCING ============== 4021.93 LDB: ============== END OF LOAD BALANCING =============== 4021.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4021.93 LDB: ============= START OF LOAD BALANCING ============== 4022.25 LDB: Largest compute 7069 load 0.036490 is 18.7% of average load 0.195071 LDB: Average compute 0.004436 is 2.3% of average load 0.195071 LDB: TIME 4022.25 LOAD: AVG 0.195071 MAX 0.213968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.895 MB LDB: TIME 4022.25 LOAD: AVG 0.195071 MAX 0.213968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.988 MB LDB: TIME 4022.25 LOAD: AVG 0.195071 MAX 0.213968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.988 MB LDB: ============== END OF LOAD BALANCING =============== 4022.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4022.26 PRESSURE: 1264400 -287.116 61.7988 -114.135 61.7991 141.456 22.5564 -114.135 22.5578 -45.8802 GPRESSURE: 1264400 -160.437 77.8056 -89.3166 105.859 147.213 -71.9332 -256.944 89.7142 -84.4666 PRESSAVG: 1264400 -72.4886 -18.6068 -31.7554 -18.6068 52.6609 -13.743 -31.7555 -13.7429 -15.6885 GPRESSAVG: 1264400 -71.8281 -16.8408 -33.4942 -22.2911 51.1509 -13.7231 -31.6387 -12.9938 -14.8096 TIMING: 1264400 CPU: 4010.12, 0.00324937/step Wall: 4010.12, 0.00324937/step, 3.37176 hours remaining, 237.894531 MB of memory in use. ENERGY: 1264400 4015.3594 20384.7331 14445.4214 251.8495 -203849.4575 2958.8615 0.0000 0.0000 51908.8043 -109884.4283 298.3206 -161793.2326 -109519.8583 298.2888 -63.8465 -32.5635 762715.1411 -11.8387 -11.8289 PRESSURE: 1264600 352.075 -146.729 78.7934 -146.729 -115.055 -2.29816 78.7928 -2.29881 96.8609 GPRESSURE: 1264600 331.635 -203.059 97.429 -29.3621 -93.2211 -34.6802 3.70147 -16.38 154.584 PRESSAVG: 1264600 -6.98365 -20.2158 -66.371 -20.2158 26.7526 -21.2227 -66.371 -21.2227 -4.4022 GPRESSAVG: 1264600 -7.42432 -22.3575 -66.2132 -19.3659 28.0308 -19.8349 -66.8099 -22.1014 -5.37534 TIMING: 1264600 CPU: 4010.77, 0.00321837/step Wall: 4010.77, 0.00321837/step, 3.33942 hours remaining, 237.894531 MB of memory in use. ENERGY: 1264600 4041.1371 20627.5539 14370.0429 241.8515 -203827.2461 2807.0753 0.0000 0.0000 51921.9493 -109817.6360 298.3962 -161739.5853 -109466.2218 298.4153 111.2936 130.9994 763495.0943 5.1223 5.0770 PRESSURE: 1264800 77.4415 -1.27373 -37.4154 -1.27327 -161.977 195.325 -37.4149 195.325 -400.032 GPRESSURE: 1264800 68.7542 11.1508 -65.8517 21.4194 -113.28 257.934 -31.802 277.742 -338.439 PRESSAVG: 1264800 4.29247 -16.5535 -30.5019 -16.5535 8.09791 32.435 -30.5019 32.435 4.87616 GPRESSAVG: 1264800 4.08263 -16.7992 -30.2048 -15.2352 6.68834 32.2736 -30.9649 30.5767 6.43634 TIMING: 1264800 CPU: 4011.41, 0.00322705/step Wall: 4011.41, 0.00322705/step, 3.34824 hours remaining, 237.894531 MB of memory in use. ENERGY: 1264800 4033.1387 20547.7766 14450.3985 239.0820 -203864.8423 2991.7052 0.0000 0.0000 51670.1171 -109932.6244 296.9489 -161602.7414 -109572.0661 298.0465 -161.5225 -127.6550 764329.0799 5.7555 5.7358 PRESSURE: 1265000 40.2174 -54.3369 71.5625 -54.3361 -217.349 42.3671 71.5631 42.367 307.228 GPRESSURE: 1265000 125.71 43.1357 91.5634 94.0381 -75.5828 33.6873 142.501 85.5697 170.922 PRESSAVG: 1265000 -0.513964 24.7321 29.7966 24.7321 -25.4911 -8.41966 29.7966 -8.41957 23.9062 GPRESSAVG: 1265000 0.506847 25.6153 29.7354 23.329 -25.4332 -7.88451 32.4863 -8.66332 22.8264 TIMING: 1265000 CPU: 4012.06, 0.00321733/step Wall: 4012.06, 0.00321733/step, 3.33798 hours remaining, 237.894531 MB of memory in use. ENERGY: 1265000 3999.2143 20386.3189 14387.8527 230.1231 -203487.6216 2530.3268 0.0000 0.0000 52015.5831 -109938.2027 298.9343 -161953.7858 -109582.5584 298.3255 43.3653 73.6831 763232.7673 -0.6996 -0.7000 PRESSURE: 1265200 -40.2265 -48.5591 -6.17223 -48.559 26.3086 -173.913 -6.17216 -173.913 270.872 GPRESSURE: 1265200 -47.9533 -40.5648 -16.8517 -153.026 2.14416 -138.582 -34.2827 -34.4092 393.044 PRESSAVG: 1265200 -32.3065 -43.9173 -37.0573 -43.9173 11.1133 8.90788 -37.0573 8.90786 5.30859 GPRESSAVG: 1265200 -32.8693 -42.5201 -37.8095 -41.8006 11.4372 8.34949 -38.9816 10.7522 5.08402 TIMING: 1265200 CPU: 4012.7, 0.00321365/step Wall: 4012.7, 0.00321365/step, 3.33398 hours remaining, 237.894531 MB of memory in use. ENERGY: 1265200 3887.3611 20461.0635 14433.1475 255.4249 -203737.7630 2900.1344 0.0000 0.0000 51751.0711 -110049.5604 297.4141 -161800.6315 -109690.3031 297.6024 85.6515 115.7449 764747.1094 -5.2949 -5.4493 PRESSURE: 1265400 129.862 -42.4912 -78.0825 -42.4915 -56.8899 -120.003 -78.0827 -120.003 5.09211 GPRESSURE: 1265400 54.1379 -88.8271 -97.4962 7.15966 81.6512 -84.3762 -13.0649 -33.9925 29.0148 PRESSAVG: 1265400 -2.23188 -22.8944 -61.318 -22.8944 -6.21772 -16.9819 -61.318 -16.9819 -0.977468 GPRESSAVG: 1265400 -3.16852 -25.0495 -61.3705 -22.2156 -6.00863 -17.2539 -60.9303 -18.0826 -1.01251 TIMING: 1265400 CPU: 4013.34, 0.00320634/step Wall: 4013.34, 0.00320634/step, 3.32622 hours remaining, 237.894531 MB of memory in use. ENERGY: 1265400 3935.3895 20558.2631 14400.4896 232.0098 -203506.5860 2438.9892 0.0000 0.0000 52101.0608 -109840.3841 299.4255 -161941.4448 -109474.0483 297.9051 26.0214 54.9346 760138.3472 -3.1424 -3.3966 PRESSURE: 1265600 120.104 49.8576 76.7878 49.8575 -243.824 -88.1999 76.7892 -88.1999 -48.9195 GPRESSURE: 1265600 232.178 80.4777 137.002 11.6001 -252.27 -154.28 69.4745 -33.1349 -48.4845 PRESSAVG: 1265600 10.6941 -11.8246 -50.411 -11.8247 53.5004 -39.4969 -50.411 -39.4969 -4.50039 GPRESSAVG: 1265600 11.8357 -10.1028 -50.9062 -13.1011 52.9331 -40.0887 -49.7179 -38.7468 -4.78869 TIMING: 1265600 CPU: 4013.98, 0.00317563/step Wall: 4013.98, 0.00317563/step, 3.29418 hours remaining, 237.894531 MB of memory in use. ENERGY: 1265600 3972.3523 20624.5320 14446.1438 256.6238 -203784.2003 2660.2638 0.0000 0.0000 52058.1008 -109766.1838 299.1786 -161824.2846 -109388.1773 298.5018 -57.5464 -22.8586 760558.0291 19.8980 19.9934 PRESSURE: 1265800 32.3314 16.9556 75.234 16.9557 -137.589 191.995 75.2343 191.994 -284.471 GPRESSURE: 1265800 -3.4786 -36.613 23.5096 3.66432 -108.785 263.569 127.167 263.429 -199.729 PRESSAVG: 1265800 50.2549 -52.5774 -35.4861 -52.5774 14.4112 -9.90704 -35.4862 -9.90698 -0.144256 GPRESSAVG: 1265800 49.6294 -52.983 -34.638 -53.5347 14.9318 -9.54158 -36.899 -12.381 -0.147755 TIMING: 1265800 CPU: 4014.62, 0.00320016/step Wall: 4014.62, 0.00320016/step, 3.31945 hours remaining, 237.894531 MB of memory in use. ENERGY: 1265800 4003.6675 20567.6445 14398.8497 249.7933 -203431.8744 2526.8980 0.0000 0.0000 52031.4677 -109653.5537 299.0256 -161685.0214 -109287.5372 298.3162 -129.9095 -103.9976 761112.6191 21.5073 21.4712 PRESSURE: 1266000 165.376 131.787 49.5217 131.788 53.6137 -147.421 49.522 -147.42 232.465 GPRESSURE: 1266000 163.736 125.303 18.4262 102.099 195.687 -170.894 41.343 -143.414 190.507 PRESSAVG: 1266000 -16.558 -15.3279 -37.205 -15.3279 -5.29733 -23.0836 -37.205 -23.0837 0.289521 GPRESSAVG: 1266000 -16.5051 -16.5071 -37.7088 -17.1615 -5.0786 -21.8161 -36.9527 -21.636 0.0845797 TIMING: 1266000 CPU: 4015.26, 0.00320414/step Wall: 4015.26, 0.00320414/step, 3.3234 hours remaining, 237.894531 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: 1266000 3914.9883 20403.6975 14393.7488 244.9785 -203273.7992 2495.7243 0.0000 0.0000 52220.9925 -109599.6694 300.1148 -161820.6619 -109227.6445 299.1145 150.4848 183.3100 761072.5961 -7.1886 -7.1664 PRESSURE: 1266200 182.852 182.332 -195.939 182.33 78.4105 49.4737 -195.939 49.4736 -135.17 GPRESSURE: 1266200 255.913 84.6236 -212.845 247.755 69.0905 -14.7597 -108.978 55.0734 -113.671 PRESSAVG: 1266200 -4.73478 -31.0837 -19.6938 -31.0836 24.3344 24.1382 -19.6938 24.1381 -5.45506 GPRESSAVG: 1266200 -5.7535 -28.4415 -18.3373 -31.3906 24.2535 23.1176 -23.1504 25.7549 -4.36578 TIMING: 1266200 CPU: 4015.9, 0.00322313/step Wall: 4015.9, 0.00322314/step, 3.34293 hours remaining, 237.894531 MB of memory in use. ENERGY: 1266200 3936.5056 20520.4008 14441.3655 228.4329 -203878.9984 2899.2763 0.0000 0.0000 52130.3599 -109722.6573 299.5939 -161853.0172 -109357.4558 298.3201 42.0308 70.4440 761143.6042 4.7149 4.7114 PRESSURE: 1266400 -138.997 250.812 -327.254 250.812 -133.951 188.629 -327.254 188.629 211.677 GPRESSURE: 1266400 -23.4163 228.672 -322.583 209.281 -203.407 251.923 -332.246 200.531 252.854 PRESSAVG: 1266400 20.2841 2.7756 -83.9513 2.77562 -21.5098 5.42597 -83.9514 5.4259 16.5031 GPRESSAVG: 1266400 22.4809 1.73141 -84.8219 5.89576 -23.0364 5.22397 -79.6106 6.08973 15.7997 TIMING: 1266400 CPU: 4016.54, 0.00321449/step Wall: 4016.54, 0.00321449/step, 3.33379 hours remaining, 237.894531 MB of memory in use. ENERGY: 1266400 3933.8111 20642.5830 14391.8976 250.8804 -203828.5175 2948.9384 0.0000 0.0000 51874.2657 -109786.1414 298.1221 -161660.4071 -109427.5009 298.5378 -20.4238 8.6768 762826.0659 5.0925 5.0814 PRESSURE: 1266600 -370.879 71.5688 232.43 71.5688 -628.644 -81.5783 232.43 -81.5796 -377.241 GPRESSURE: 1266600 -409.547 56.9745 168.905 14.3795 -579.864 -131.593 190.553 -180.778 -295.072 PRESSAVG: 1266600 -51.2036 -30.0289 -34.0436 -30.0289 -15.1826 16.934 -34.0436 16.934 20.9601 GPRESSAVG: 1266600 -52.317 -29.5041 -33.2207 -31.1254 -14.1167 16.8405 -37.3434 14.365 21.4622 TIMING: 1266600 CPU: 4017.18, 0.00320349/step Wall: 4017.18, 0.00320349/step, 3.3222 hours remaining, 237.894531 MB of memory in use. ENERGY: 1266600 4019.9312 20626.1907 14455.2010 227.0547 -203566.3814 2444.2707 0.0000 0.0000 52132.2991 -109661.4340 299.6050 -161793.7332 -109301.7829 298.3950 -458.9212 -428.1612 764058.6600 -15.1420 -14.9905 PRESSURE: 1266800 -199.715 -72.2538 -143.164 -72.2547 87.0127 -0.725094 -143.164 -0.724261 -19.3881 GPRESSURE: 1266800 5.43226 -124.601 -62.2233 -178.466 38.0377 -88.7934 -110.346 30.2226 -94.3278 PRESSAVG: 1266800 40.7075 -52.3698 -15.9863 -52.3698 -22.4558 -37.779 -15.9864 -37.779 -18.1708 GPRESSAVG: 1266800 41.8407 -52.3447 -16.4446 -53.2173 -22.1849 -37.5145 -14.388 -36.4423 -19.9243 TIMING: 1266800 CPU: 4017.83, 0.00321027/step Wall: 4017.83, 0.00321027/step, 3.32904 hours remaining, 237.894531 MB of memory in use. ENERGY: 1266800 4020.8724 20550.2520 14445.1020 236.4909 -203607.4797 2624.7943 0.0000 0.0000 52243.0721 -109486.8961 300.2417 -161729.9682 -109129.0198 298.7747 -44.0302 -16.9526 761320.5506 0.0270 -0.0895 PRESSURE: 1267000 -182.542 -64.7981 -11.8515 -64.7984 -139.204 14.6493 -11.8513 14.6504 482.889 GPRESSURE: 1267000 -136.557 -107.679 -1.50741 -49.7346 -133.14 -16.8762 -36.8691 -48.0189 515.974 PRESSAVG: 1267000 -11.3769 -46.8975 -17.3929 -46.8976 6.13107 -1.82138 -17.3929 -1.82131 24.9606 GPRESSAVG: 1267000 -11.8259 -48.829 -17.2676 -45.4448 6.05193 -1.99212 -16.1911 -1.74123 25.6967 TIMING: 1267000 CPU: 4018.47, 0.00321143/step Wall: 4018.47, 0.00321143/step, 3.33007 hours remaining, 237.894531 MB of memory in use. ENERGY: 1267000 3994.2122 20569.6443 14397.0306 245.2135 -203508.2602 2646.1417 0.0000 0.0000 52184.6588 -109471.3592 299.9060 -161656.0180 -109113.6505 299.3112 53.7146 82.0925 761879.5769 6.5716 6.6409 PRESSURE: 1267200 -160.307 -77.2514 46.284 -77.2504 -10.0777 85.4982 46.2846 85.4979 -164.452 GPRESSURE: 1267200 -81.519 -68.2703 50.4907 -56.3493 7.74089 15.4371 57.504 166.649 -171.207 PRESSAVG: 1267200 1.46523 -28.3218 -41.7894 -28.3218 20.1308 -1.48577 -41.7894 -1.48581 -14.1677 GPRESSAVG: 1267200 0.923453 -26.8352 -42.4858 -29.289 20.6284 -2.24477 -41.8638 0.179173 -13.8686 TIMING: 1267200 CPU: 4019.11, 0.00319143/step Wall: 4019.11, 0.00319143/step, 3.30916 hours remaining, 237.894531 MB of memory in use. ENERGY: 1267200 3945.0857 20564.6668 14524.4132 257.4450 -203481.1072 2506.6409 0.0000 0.0000 52059.2536 -109623.6019 299.1852 -161682.8556 -109256.8393 298.9128 -111.6121 -81.6618 761432.1436 2.4761 2.5611 PRESSURE: 1267400 -226.553 62.6834 -177.406 62.6825 -7.1381 -54.2741 -177.406 -54.274 317.476 GPRESSURE: 1267400 -193.363 72.2894 -244.038 -16.238 108.862 23.2268 -136.783 -103.512 267.679 PRESSAVG: 1267400 1.96201 13.1629 -22.0191 13.1629 -48.1005 11.1998 -22.0191 11.1997 -8.11433 GPRESSAVG: 1267400 1.61293 15.504 -21.0567 11.6295 -46.8082 13.3345 -23.5279 8.8567 -8.5896 TIMING: 1267400 CPU: 4019.75, 0.0032047/step Wall: 4019.75, 0.0032047/step, 3.32274 hours remaining, 237.894531 MB of memory in use. ENERGY: 1267400 4014.5883 20663.9881 14450.0372 249.7425 -203607.7877 2639.3535 0.0000 0.0000 52126.7581 -109463.3199 299.5732 -161590.0781 -109103.0574 298.9538 27.9284 61.0593 762162.5761 -18.0843 -17.9283 PRESSURE: 1267600 107.69 164.609 -168.772 164.609 33.7183 -28.0628 -168.772 -28.0635 109.257 GPRESSURE: 1267600 126.965 123.432 -223.154 141.935 19.5406 -59.5414 -46.8002 -7.03281 165.544 PRESSAVG: 1267600 24.4376 -53.0514 -9.62572 -53.0514 -28.3092 -3.29836 -9.62579 -3.29831 -13.1661 GPRESSAVG: 1267600 24.3385 -54.1337 -10.8788 -49.449 -29.5935 -6.46733 -6.74478 -3.42613 -11.9506 TIMING: 1267600 CPU: 4020.39, 0.00319065/step Wall: 4020.39, 0.00319065/step, 3.308 hours remaining, 237.894531 MB of memory in use. ENERGY: 1267600 3964.4420 20577.8691 14461.7449 254.8281 -203150.6172 2340.4644 0.0000 0.0000 52005.4629 -109545.8058 298.8761 -161551.2687 -109187.9700 299.3168 83.5549 104.0164 763115.3895 -5.6792 -5.7352 PRESSURE: 1267800 -207.094 -85.2347 -59.3802 -85.2344 -252.771 -22.3479 -59.381 -22.3472 43.0519 GPRESSURE: 1267800 -179.313 -194.982 -35.946 -60.5573 -188.024 42.1747 8.92961 40.9761 30.9632 PRESSAVG: 1267800 -55.8019 -37.1852 -50.4099 -37.1852 53.223 -22.3685 -50.4099 -22.3684 -5.48592 GPRESSAVG: 1267800 -55.4021 -38.6594 -48.4645 -40.6633 52.8614 -18.6972 -54.2261 -21.6721 -5.41277 TIMING: 1267800 CPU: 4021.03, 0.00320505/step Wall: 4021.03, 0.00320505/step, 3.32275 hours remaining, 237.894531 MB of memory in use. ENERGY: 1267800 3923.1937 20469.1663 14385.9513 226.0899 -203273.5360 2520.3999 0.0000 0.0000 51975.8497 -109772.8852 298.7059 -161748.7349 -109412.5799 298.4777 -138.9377 -112.1245 763257.6928 -2.6883 -2.6512 PRESSURE: 1268000 -142.368 -77.617 -62.1886 -77.6167 387.056 -150.788 -62.1885 -150.789 -226.207 GPRESSURE: 1268000 -110.055 -145.181 -28.5726 2.5313 455.228 -108.518 -31.2269 -129.997 -257.212 PRESSAVG: 1268000 -19.7937 -49.7503 -66.6366 -49.7502 90.1717 -47.9426 -66.6366 -47.9426 27.9223 GPRESSAVG: 1268000 -20.7922 -49.3301 -66.6521 -48.1145 91.7191 -50.9998 -65.3614 -47.6478 27.0796 TIMING: 1268000 CPU: 4021.67, 0.00321667/step Wall: 4021.67, 0.00321667/step, 3.33461 hours remaining, 237.894531 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: 1268000 3901.6174 20564.5027 14428.3905 244.4700 -202988.1540 2278.3107 0.0000 0.0000 52057.0237 -109513.8390 299.1724 -161570.8627 -109149.2766 299.1557 6.1607 29.3205 761647.0643 32.7668 32.6688 PRESSURE: 1268200 31.0264 -75.0311 -32.742 -75.0301 -6.10664 8.71744 -32.7411 8.71763 -160.79 GPRESSURE: 1268200 -3.74157 66.5588 -54.9519 -105.255 106.06 64.4766 -96.7765 9.6294 -161.927 PRESSAVG: 1268200 -58.4149 -19.3414 42.4857 -19.3414 4.02422 -49.1951 42.4857 -49.1951 22.037 GPRESSAVG: 1268200 -58.1276 -19.1802 40.9571 -18.1201 3.93907 -49.6974 40.5607 -47.6577 22.1388 TIMING: 1268200 CPU: 4022.31, 0.00321363/step Wall: 4022.31, 0.00321363/step, 3.33129 hours remaining, 237.894531 MB of memory in use. ENERGY: 1268200 3980.0851 20611.9806 14473.2626 240.1530 -203277.4753 2424.2933 0.0000 0.0000 52026.3376 -109521.3632 298.9961 -161547.7008 -109159.7511 298.9783 -45.2903 -19.8696 761371.2878 -10.7845 -10.6832 LDB: ============= START OF LOAD BALANCING ============== 4034.77 LDB: ============== END OF LOAD BALANCING =============== 4034.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4034.77 LDB: ============= START OF LOAD BALANCING ============== 4035.1 LDB: Largest compute 7060 load 0.037978 is 19.5% of average load 0.195225 LDB: Average compute 0.004427 is 2.3% of average load 0.195225 LDB: TIME 4035.1 LOAD: AVG 0.195225 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4035.1 LOAD: AVG 0.195225 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: TIME 4035.1 LOAD: AVG 0.195225 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: ============== END OF LOAD BALANCING =============== 4035.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4035.11 PRESSURE: 1268400 -33.1951 22.3587 -112.327 22.3586 -361.316 -62.1601 -112.327 -62.1595 -231.883 GPRESSURE: 1268400 -126.742 -37.8761 -191.891 -21.47 -185.004 -139.419 58.5239 -62.6225 -227.322 PRESSAVG: 1268400 4.52379 -85.2802 -38.4545 -85.2802 -1.0947 -29.3065 -38.4545 -29.3066 -0.425479 GPRESSAVG: 1268400 3.81564 -86.747 -38.5679 -85.3616 -1.04322 -28.0299 -37.2678 -32.8527 0.643386 TIMING: 1268400 CPU: 4022.97, 0.0032911/step Wall: 4022.97, 0.0032911/step, 3.41141 hours remaining, 239.175781 MB of memory in use. ENERGY: 1268400 3934.6872 20439.2590 14325.3211 222.5424 -202840.7387 2326.7345 0.0000 0.0000 52023.7482 -109568.4463 298.9812 -161592.1945 -109204.4772 298.8882 -208.7981 -179.6894 763679.6942 1.0012 1.1386 PRESSURE: 1268600 -5.29556 -40.8787 -109.452 -40.8779 -79.589 -3.49523 -109.452 -3.49638 -226.819 GPRESSURE: 1268600 -63.9007 -113.707 -137.819 -112.845 42.6594 19.4423 3.3606 -241.401 -210.565 PRESSAVG: 1268600 -21.0463 -81.5556 7.09248 -81.5556 16.9556 -45.5206 7.09248 -45.5207 0.702305 GPRESSAVG: 1268600 -20.2337 -81.8373 7.93807 -81.3127 16.3027 -45.4142 7.07761 -45.6618 0.710094 TIMING: 1268600 CPU: 4023.62, 0.00322764/step Wall: 4023.62, 0.00322764/step, 3.34545 hours remaining, 239.378906 MB of memory in use. ENERGY: 1268600 3891.4362 20594.0348 14388.8431 243.7425 -203169.2698 2691.6937 0.0000 0.0000 52054.7111 -109304.8085 299.1591 -161359.5196 -108943.9819 298.8983 -103.9011 -77.2689 761832.1149 -1.1295 -1.0736 PRESSURE: 1268800 -95.226 12.3563 216.85 12.3568 80.4554 -33.9203 216.851 -33.9207 164.271 GPRESSURE: 1268800 5.19047 -32.0627 266.54 -54.6558 114.54 84.1724 134.915 -113.243 104.813 PRESSAVG: 1268800 -1.83747 -24.1876 -7.17735 -24.1875 4.96396 -90.908 -7.17741 -90.908 30.3911 GPRESSAVG: 1268800 -0.382487 -25.1492 -7.10908 -24.9163 4.63677 -89.0669 -9.19835 -88.2662 29.2994 TIMING: 1268800 CPU: 4024.26, 0.00322388/step Wall: 4024.26, 0.00322388/step, 3.34137 hours remaining, 239.378906 MB of memory in use. ENERGY: 1268800 3974.9045 20509.5503 14336.2170 238.1238 -203475.9257 2865.2758 0.0000 0.0000 52224.3702 -109327.4842 300.1342 -161551.8544 -108978.0963 299.2516 49.8335 74.8480 761692.5122 11.1725 11.1846 PRESSURE: 1269000 -146.761 -86.7752 -10.0018 -86.7757 -282.364 -83.8229 -10.0025 -83.8233 -157.734 GPRESSURE: 1269000 -120.912 47.6823 -64.9332 -42.2549 -276.754 -54.8534 -34.9225 -41.6902 -120.255 PRESSAVG: 1269000 -21.504 -48.7912 18.6989 -48.7913 19.3402 -50.0941 18.6988 -50.0941 12.0708 GPRESSAVG: 1269000 -22.7257 -47.2539 18.0432 -48.3516 19.8734 -51.8228 20.5139 -52.1789 12.9069 TIMING: 1269000 CPU: 4024.9, 0.00321031/step Wall: 4024.9, 0.00321031/step, 3.32713 hours remaining, 239.378906 MB of memory in use. ENERGY: 1269000 4041.2931 20425.0822 14458.5720 224.3957 -203068.2066 2522.8399 0.0000 0.0000 52212.7887 -109183.2348 300.0676 -161396.0236 -108829.8547 299.9615 -195.6200 -172.6404 763451.4067 3.3024 3.3515 PRESSURE: 1269200 -183.753 -4.84166 123.088 -4.84195 21.3492 -103.342 123.088 -103.342 315.716 GPRESSURE: 1269200 -10.4678 16.8192 116.632 198.388 -26.8233 -103.384 32.9134 -50.1254 291.946 PRESSAVG: 1269200 -22.2589 -34.867 -40.7808 -34.867 23.8607 10.015 -40.7807 10.015 -11.3299 GPRESSAVG: 1269200 -21.9243 -33.3031 -41.6673 -35.1564 22.8671 10.8256 -40.9588 10.4067 -10.8401 TIMING: 1269200 CPU: 4025.55, 0.00320816/step Wall: 4025.55, 0.00320816/step, 3.32472 hours remaining, 239.378906 MB of memory in use. ENERGY: 1269200 3948.6018 20377.9648 14434.7576 262.8018 -203101.2856 2737.7896 0.0000 0.0000 51934.7393 -109404.6307 298.4697 -161339.3700 -109053.6127 298.5742 51.1043 84.8850 763613.1189 -3.2427 -3.2991 PRESSURE: 1269400 -128.931 22.6465 -57.9142 22.6464 69.8227 -16.7144 -57.9146 -16.7146 -101.327 GPRESSURE: 1269400 -157.706 -93.6294 -16.1164 63.7485 129.612 3.64823 -24.4644 -60.692 -40.1409 PRESSAVG: 1269400 -19.2871 -24.4223 8.92065 -24.4224 36.5258 -50.6604 8.92063 -50.6604 20.7771 GPRESSAVG: 1269400 -19.0311 -28.4283 10.2107 -24.2795 36.6424 -52.3773 7.8015 -50.1103 20.8683 TIMING: 1269400 CPU: 4026.19, 0.00321179/step Wall: 4026.19, 0.00321179/step, 3.32831 hours remaining, 239.378906 MB of memory in use. ENERGY: 1269400 3930.8094 20319.0261 14438.4260 258.2970 -203183.6713 2739.3974 0.0000 0.0000 51987.9847 -109509.7307 298.7757 -161497.7153 -109143.4489 298.7695 -53.4783 -22.7452 761631.8080 12.6719 12.8266 PRESSURE: 1269600 -85.901 70.8812 -149.566 70.8805 -28.6209 41.3305 -149.566 41.3298 -175.783 GPRESSURE: 1269600 -24.7334 39.5632 -207.722 76.0447 -6.98897 160.924 -45.2471 16.8649 -194.912 PRESSAVG: 1269600 -0.13903 -34.5257 -12.0619 -34.5257 23.8911 -28.4612 -12.0619 -28.4613 -5.93768 GPRESSAVG: 1269600 0.858432 -31.4874 -13.3081 -33.9479 23.4994 -27.4912 -9.18165 -27.8097 -7.01163 TIMING: 1269600 CPU: 4026.83, 0.0032223/step Wall: 4026.83, 0.0032223/step, 3.33902 hours remaining, 239.378906 MB of memory in use. ENERGY: 1269600 3956.1627 20450.9510 14486.2205 255.4134 -203302.9662 2784.9083 0.0000 0.0000 51997.2138 -109372.0966 298.8287 -161369.3104 -109018.6036 298.7124 -96.7685 -75.5447 762574.5061 5.9381 5.7821 PRESSURE: 1269800 -189.291 -85.5042 -214.156 -85.5048 44.818 -87.3988 -214.156 -87.3981 232.203 GPRESSURE: 1269800 -100.352 -25.912 -203.02 -65.3965 43.1214 -58.637 -214.632 -62.8093 240.442 PRESSAVG: 1269800 -2.44022 5.42293 -32.4795 5.4229 16.63 57.5194 -32.4795 57.5194 -9.5878 GPRESSAVG: 1269800 -3.51466 6.21732 -31.5252 3.38187 17.796 58.8741 -34.7913 55.6849 -9.82455 TIMING: 1269800 CPU: 4027.47, 0.0031899/step Wall: 4027.47, 0.0031899/step, 3.30527 hours remaining, 239.378906 MB of memory in use. ENERGY: 1269800 3989.8989 20399.6628 14491.9032 274.2685 -203390.1943 2491.5560 0.0000 0.0000 52042.6197 -109700.2853 299.0897 -161742.9049 -109335.2540 298.7591 29.2433 61.0704 761560.3941 1.5340 1.4856 PRESSURE: 1270000 -206.522 -66.2278 37.1813 -66.2282 170.576 -82.6619 37.1809 -82.6609 -99.433 GPRESSURE: 1270000 -146.936 -104.668 85.961 -117.259 198.302 -24.4461 24.1337 -105.52 -107.142 PRESSAVG: 1270000 -27.6748 -10.1036 -44.6028 -10.1036 48.7139 17.923 -44.6028 17.923 1.93676 GPRESSAVG: 1270000 -26.8737 -10.7072 -44.1042 -8.6681 46.9324 15.4146 -45.2098 19.4705 2.92295 TIMING: 1270000 CPU: 4028.11, 0.00319665/step Wall: 4028.11, 0.00319665/step, 3.31208 hours remaining, 239.378906 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: 1270000 3895.3127 20384.0580 14501.0374 209.0555 -203089.3277 2588.0340 0.0000 0.0000 51959.7602 -109552.0699 298.6135 -161511.8301 -109196.7089 298.8109 -45.1260 -18.5921 761320.5854 7.6586 7.6605 PRESSURE: 1270200 -70.1926 439.522 -211.865 439.523 -96.198 -172.773 -211.865 -172.773 -64.3593 GPRESSURE: 1270200 -74.6731 501.712 -138.519 410.634 -0.886094 -157.632 -249.491 -115.943 -80.9666 PRESSAVG: 1270200 -47.3183 -64.9418 -10.7859 -64.9418 44.702 2.66482 -10.7859 2.66477 -23.1025 GPRESSAVG: 1270200 -47.3974 -66.1659 -10.9281 -64.814 46.1862 3.74255 -8.17012 2.64989 -24.5633 TIMING: 1270200 CPU: 4028.75, 0.00320051/step Wall: 4028.75, 0.00320051/step, 3.31591 hours remaining, 239.378906 MB of memory in use. ENERGY: 1270200 3949.6039 20378.5157 14522.4637 241.5814 -203464.1628 2786.6885 0.0000 0.0000 52274.7009 -109310.6088 300.4234 -161585.3096 -108940.7370 298.8824 -76.9166 -52.1753 760334.2333 -8.5729 -8.5915 PRESSURE: 1270400 -134.022 41.989 -9.52534 41.988 -232.281 -42.5651 -9.52552 -42.5646 70.9198 GPRESSURE: 1270400 5.32121 -83.7402 -15.7872 68.0132 -234.968 63.5326 37.5161 -91.5281 34.8371 PRESSAVG: 1270400 12.6653 -14.1733 -30.5532 -14.1733 14.8076 -17.8728 -30.5532 -17.8728 8.71155 GPRESSAVG: 1270400 12.2861 -13.642 -30.7694 -13.6006 14.958 -18.2274 -31.8414 -17.5102 7.99721 TIMING: 1270400 CPU: 4029.39, 0.00321479/step Wall: 4029.39, 0.00321479/step, 3.33053 hours remaining, 239.378906 MB of memory in use. ENERGY: 1270400 3980.0834 20495.5210 14396.8728 250.6486 -202804.8272 2385.3103 0.0000 0.0000 52055.6163 -109240.7748 299.1643 -161296.3911 -108878.2864 298.8841 -98.4610 -64.9365 760571.6716 12.0615 11.7471 PRESSURE: 1270600 -130.295 289.172 202.592 289.172 -399.227 194.137 202.592 194.137 22.0624 GPRESSURE: 1270600 -131.791 243.149 234.372 188.799 -340.053 89.713 220.847 142.134 43.5716 PRESSAVG: 1270600 0.0651921 -24.5597 -1.11655 -24.5596 -22.437 -37.3076 -1.11665 -37.3076 -9.84194 GPRESSAVG: 1270600 0.377699 -23.8437 0.378841 -26.9951 -22.1711 -36.9973 -1.22221 -37.2524 -9.93679 TIMING: 1270600 CPU: 4030.04, 0.00321333/step Wall: 4030.04, 0.00321333/step, 3.32883 hours remaining, 239.378906 MB of memory in use. ENERGY: 1270600 3990.6759 20402.3814 14411.3899 259.2688 -203064.4921 2747.4252 0.0000 0.0000 51946.9962 -109306.3547 298.5401 -161253.3509 -108942.8535 299.4573 -169.1530 -142.7576 762420.3682 -10.7379 -10.5767 PRESSURE: 1270800 -492.563 -93.669 -167.844 -93.6691 51.2772 312.095 -167.845 312.094 -265.253 GPRESSURE: 1270800 -425.302 -81.7085 -152.571 -51.2296 106.527 236.11 -174.7 207.511 -306.389 PRESSAVG: 1270800 20.3276 25.1324 -24.6064 25.1324 37.9969 35.3187 -24.6064 35.3187 -4.15377 GPRESSAVG: 1270800 19.1918 24.0127 -25.9978 26.6866 38.6144 36.2093 -24.453 32.4851 -3.79761 TIMING: 1270800 CPU: 4030.68, 0.00321397/step Wall: 4030.68, 0.00321397/step, 3.32932 hours remaining, 239.378906 MB of memory in use. ENERGY: 1270800 3912.4338 20486.2110 14487.0488 255.0409 -202683.3160 2147.2232 0.0000 0.0000 52009.2493 -109386.1090 298.8979 -161395.3583 -109019.3263 298.9024 -235.5131 -208.3880 763049.6130 18.0569 18.0029 PRESSURE: 1271000 51.3972 -65.6014 210.599 -65.5997 -138.342 -116.292 210.6 -116.291 -272.116 GPRESSURE: 1271000 16.697 -75.3371 221.251 13.6227 -111.814 -88.2333 61.396 -76.3343 -196.313 PRESSAVG: 1271000 8.20501 -11.138 89.8183 -11.138 19.8012 -9.15818 89.8183 -9.15822 -2.27674 GPRESSAVG: 1271000 9.0206 -9.08965 89.9452 -11.0999 19.7643 -8.60849 88.9633 -7.16672 -3.01797 TIMING: 1271000 CPU: 4031.32, 0.00321539/step Wall: 4031.32, 0.00321539/step, 3.33061 hours remaining, 239.378906 MB of memory in use. ENERGY: 1271000 4010.8759 20494.7826 14492.5733 245.7672 -203353.5959 2809.6252 0.0000 0.0000 52163.5992 -109136.3724 299.7849 -161299.9716 -108777.0686 299.0694 -119.6869 -97.1433 763562.4784 8.5765 8.5890 PRESSURE: 1271200 161.317 163.635 206.764 163.636 -147.482 104.647 206.764 104.649 261.381 GPRESSURE: 1271200 239.076 42.3352 173.308 223.369 -143.857 201.727 293.797 86.3054 246.007 PRESSAVG: 1271200 38.8417 -41.764 4.56231 -41.764 -33.0008 22.2647 4.56228 22.2648 -10.617 GPRESSAVG: 1271200 38.4399 -43.599 4.52172 -41.3029 -34.356 20.4947 5.24244 21.7518 -8.7357 TIMING: 1271200 CPU: 4031.97, 0.00322921/step Wall: 4031.97, 0.00322921/step, 3.34474 hours remaining, 239.378906 MB of memory in use. ENERGY: 1271200 3922.7436 20455.1472 14506.9455 243.3865 -203403.4271 2965.4328 0.0000 0.0000 52254.5843 -109055.1873 300.3078 -161309.7716 -108695.0780 299.9334 91.7388 113.7419 764395.9108 -1.5920 -1.5506 PRESSURE: 1271400 -149.438 -4.52657 -157.326 -4.52721 84.5512 48.9894 -157.325 48.9894 80.1133 GPRESSURE: 1271400 -172.379 28.5899 -66.6517 59.294 181.835 62.8261 -40.9435 109.247 93.9416 PRESSAVG: 1271400 -13.9884 -23.5604 2.25689 -23.5604 25.4306 -18.9201 2.25689 -18.9201 13.29 GPRESSAVG: 1271400 -15.1699 -20.9603 1.98567 -23.224 27.5215 -19.8376 4.08116 -17.9831 13.0136 TIMING: 1271400 CPU: 4032.61, 0.00319245/step Wall: 4032.61, 0.00319245/step, 3.30649 hours remaining, 239.378906 MB of memory in use. ENERGY: 1271400 3987.5666 20550.6852 14463.3323 255.9415 -203434.7581 2952.3080 0.0000 0.0000 52361.1477 -108863.7768 300.9202 -161224.9246 -108493.6813 299.7828 5.0755 34.4661 763732.2161 8.2441 8.4551 PRESSURE: 1271600 -205.569 -213.303 13.6085 -213.304 257.379 41.3159 13.6086 41.315 63.1075 GPRESSURE: 1271600 -126.193 -266.357 3.87597 -199.372 288.426 -22.5433 33.4145 6.9538 39.4863 PRESSAVG: 1271600 -14.4062 -34.9656 24.4172 -34.9657 11.9433 -24.1109 24.4172 -24.1109 14.5986 GPRESSAVG: 1271600 -11.5352 -37.8697 25.5714 -33.5498 9.54406 -22.7701 23.4718 -24.0393 14.4706 TIMING: 1271600 CPU: 4033.25, 0.00320617/step Wall: 4033.25, 0.00320617/step, 3.32052 hours remaining, 239.378906 MB of memory in use. ENERGY: 1271600 4016.0440 20584.4345 14553.4155 251.2129 -203018.2886 2729.1523 0.0000 0.0000 52335.3030 -108548.7265 300.7717 -160884.0294 -108189.9592 300.3805 38.3058 67.2399 763349.8127 4.0452 4.1598 PRESSURE: 1271800 2.37267 143.345 24.1697 143.345 274.945 -18.0771 24.1705 -18.0761 -417.908 GPRESSURE: 1271800 12.0182 37.9389 28.7037 61.7407 296.995 62.4323 -3.58365 -81.6214 -358.904 PRESSAVG: 1271800 6.89735 27.73 17.1582 27.73 -11.1878 -21.8125 17.1581 -21.8125 -8.94372 GPRESSAVG: 1271800 5.66954 28.2923 17.0031 25.3745 -10.2766 -22.1682 14.7931 -20.7448 -8.70704 TIMING: 1271800 CPU: 4033.89, 0.00320215/step Wall: 4033.89, 0.00320215/step, 3.31618 hours remaining, 239.378906 MB of memory in use. ENERGY: 1271800 3888.8940 20642.3143 14545.3391 238.5528 -203233.9828 2958.7465 0.0000 0.0000 52319.2884 -108640.8478 300.6797 -160960.1362 -108274.0006 300.5390 -46.8635 -16.6302 765538.5694 -4.4114 -4.4380 PRESSURE: 1272000 -7.09415 82.2763 47.4293 82.2762 48.5607 -424.9 47.429 -424.901 -233.84 GPRESSURE: 1272000 114.972 153.148 -6.31399 -26.3 54.8539 -437.2 169.757 -289.211 -293.585 PRESSAVG: 1272000 40.8788 17.3397 44.1834 17.3397 -5.12751 -77.21 44.1833 -77.2101 15.0397 GPRESSAVG: 1272000 41.476 18.7067 42.5698 17.1695 -4.78078 -78.0099 46.6105 -79.123 14.4589 TIMING: 1272000 CPU: 4034.53, 0.00322334/step Wall: 4034.53, 0.00322334/step, 3.33795 hours remaining, 239.378906 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: 1272000 3915.8942 20529.8577 14535.8702 268.3417 -203088.9146 2749.1834 0.0000 0.0000 52304.7963 -108784.9712 300.5964 -161089.7674 -108418.7068 300.3448 -64.1245 -41.2528 764017.9168 16.9303 17.0514 PRESSURE: 1272200 50.5387 -1.30475 -9.43274 -1.30452 15.0751 -6.64167 -9.43392 -6.64264 280.525 GPRESSURE: 1272200 48.8954 -78.3016 79.2776 96.2374 115.754 19.4557 68.6709 28.9243 275.309 PRESSAVG: 1272200 -4.41516 2.30525 32.4633 2.30523 -17.9687 -19.8047 32.4632 -19.8048 -10.7467 GPRESSAVG: 1272200 -5.36015 2.5283 32.5252 2.85123 -17.3089 -19.0572 31.659 -20.3443 -10.2854 TIMING: 1272200 CPU: 4035.17, 0.00319284/step Wall: 4035.17, 0.00319284/step, 3.30618 hours remaining, 239.378906 MB of memory in use. ENERGY: 1272200 3971.0204 20636.4747 14509.9989 250.4591 -203364.7150 2863.2159 0.0000 0.0000 52234.4875 -108899.0585 300.1923 -161133.5460 -108543.2290 300.3732 115.3795 146.6529 763113.2874 -11.0435 -10.9848 LDB: ============= START OF LOAD BALANCING ============== 4047.63 LDB: ============== END OF LOAD BALANCING =============== 4047.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.63 LDB: ============= START OF LOAD BALANCING ============== 4047.95 LDB: Largest compute 7029 load 0.037663 is 19.3% of average load 0.195143 LDB: Average compute 0.004433 is 2.3% of average load 0.195143 LDB: TIME 4047.95 LOAD: AVG 0.195143 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 4047.95 LOAD: AVG 0.195143 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 4047.95 LOAD: AVG 0.195143 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 4047.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.96 PRESSURE: 1272400 57.0673 61.4159 243.846 61.4171 -105.341 -8.92003 243.846 -8.92053 -108.72 GPRESSURE: 1272400 53.3868 -94.2252 268.969 43.775 11.846 8.10588 103.1 -15.3681 -122.98 PRESSAVG: 1272400 -20.3491 -31.1529 40.7388 -31.153 8.98668 -51.6894 40.7388 -51.6894 -6.59813 GPRESSAVG: 1272400 -20.839 -30.2537 41.6317 -31.4717 8.44535 -51.1042 41.3135 -50.6474 -5.54194 TIMING: 1272400 CPU: 4035.82, 0.00326957/step Wall: 4035.82, 0.00326957/step, 3.38546 hours remaining, 236.871094 MB of memory in use. ENERGY: 1272400 3928.8000 20526.5180 14476.8754 240.9789 -203013.2684 2531.7335 0.0000 0.0000 52282.3733 -109025.9894 300.4675 -161308.3627 -108661.5763 299.9064 -52.3312 -19.2490 763185.7522 -5.9868 -5.9785 PRESSURE: 1272600 -135.794 -251.544 -48.0043 -251.544 -82.891 147.552 -48.0052 147.553 169.667 GPRESSURE: 1272600 -29.6169 -204 12.9136 -313.619 -75.6432 217.696 90.2544 104.384 147.558 PRESSAVG: 1272600 -41.3081 -11.1716 21.5425 -11.1716 85.3256 10.0014 21.5425 10.0014 13.2988 GPRESSAVG: 1272600 -40.0579 -13.3205 22.3331 -11.3026 84.8871 7.91304 22.0971 8.86214 12.0887 TIMING: 1272600 CPU: 4036.47, 0.0032135/step Wall: 4036.47, 0.0032135/step, 3.32722 hours remaining, 236.871094 MB of memory in use. ENERGY: 1272600 3925.4006 20499.5800 14451.3052 247.8496 -203404.9938 2691.7573 0.0000 0.0000 52656.9765 -108932.1246 302.6204 -161589.1012 -108551.0896 300.2654 -16.3395 14.0994 762432.7742 19.1054 18.9727 PRESSURE: 1272800 -230.362 -181.006 -9.50783 -181.005 22.1327 -60.4986 -9.50775 -60.4995 -49.1314 GPRESSURE: 1272800 -115.705 -82.9638 -52.37 -263.322 -64.1135 -62.5815 -67.1255 52.6987 3.59319 PRESSAVG: 1272800 -44.6474 -43.6845 78.1732 -43.6845 17.7799 6.71717 78.1732 6.71717 -3.52489 GPRESSAVG: 1272800 -45.0156 -43.1945 77.4624 -43.4416 17.2104 7.78885 76.3274 9.23285 -2.79993 TIMING: 1272800 CPU: 4037.11, 0.00320227/step Wall: 4037.11, 0.00320227/step, 3.31541 hours remaining, 236.871094 MB of memory in use. ENERGY: 1272800 3991.2079 20546.5210 14437.5953 250.6250 -202867.6272 2356.1815 0.0000 0.0000 52162.7634 -109122.7331 299.7801 -161285.4965 -108758.8897 300.0127 -85.7870 -58.7417 763321.8212 -10.1308 -10.2017 PRESSURE: 1273000 100.471 -110.76 -13.2759 -110.761 76.4727 -262.669 -13.2754 -262.669 -566.834 GPRESSURE: 1273000 192.78 -60.922 -20.549 -151.515 104.193 -250.827 -88.4853 -338.242 -604.81 PRESSAVG: 1273000 -62.897 -51.3763 -12.9806 -51.3763 79.5224 -28.8913 -12.9806 -28.8913 18.2829 GPRESSAVG: 1273000 -62.3304 -52.2582 -12.7917 -51.026 80.138 -27.8742 -11.6203 -28.2138 17.7395 TIMING: 1273000 CPU: 4037.75, 0.00322128/step Wall: 4037.75, 0.00322128/step, 3.33492 hours remaining, 236.871094 MB of memory in use. ENERGY: 1273000 3897.0374 20628.7032 14500.1533 240.1176 -202957.6995 2260.7400 0.0000 0.0000 52108.2086 -109322.7395 299.4666 -161430.9481 -108955.2405 299.7344 -129.9634 -102.6121 762571.4556 11.6361 11.8490 PRESSURE: 1273200 387.411 88.6619 296.519 88.6615 -245.031 -226.832 296.519 -226.832 -184.324 GPRESSURE: 1273200 391.349 -6.18494 254.394 96.7181 -272.021 -271.499 259.918 -210.951 -88.6069 PRESSAVG: 1273200 -6.36517 -21.1801 72.7868 -21.18 -26.2722 -12.0701 72.7868 -12.0701 -19.1064 GPRESSAVG: 1273200 -6.68518 -20.3535 73.7854 -21.2813 -26.9152 -14.4192 69.709 -13.0004 -18.6932 TIMING: 1273200 CPU: 4038.39, 0.00321404/step Wall: 4038.39, 0.00321404/step, 3.32724 hours remaining, 236.871094 MB of memory in use. ENERGY: 1273200 3995.2928 20567.0651 14366.8337 249.6470 -203133.4275 2427.8106 0.0000 0.0000 52128.2184 -109398.5598 299.5816 -161526.7783 -109038.9281 299.7514 -13.9810 10.2403 763832.5420 -17.2479 -17.4312 PRESSURE: 1273400 -167.2 178.756 140.768 178.757 -388.129 66.9989 140.768 66.9995 215.971 GPRESSURE: 1273400 -122.982 161.374 143.206 80.1203 -293.065 20.0417 12.107 34.3339 168.484 PRESSAVG: 1273400 19.2 -2.70354 4.20831 -2.70354 2.49327 22.7621 4.20827 22.7621 4.92354 GPRESSAVG: 1273400 18.9335 -3.54807 3.3691 -3.78171 3.39345 23.2727 6.79912 22.7784 4.12291 TIMING: 1273400 CPU: 4039.04, 0.00321978/step Wall: 4039.04, 0.00321978/step, 3.33301 hours remaining, 236.871094 MB of memory in use. ENERGY: 1273400 3961.8527 20504.5685 14397.0877 248.9357 -203422.5558 2688.1592 0.0000 0.0000 52175.8292 -109446.1228 299.8552 -161621.9520 -109082.6332 299.1906 -113.1194 -82.5209 763210.6237 8.8723 8.8166 PRESSURE: 1273600 156.382 -80.0279 -10.5548 -80.0276 -211.209 208.683 -10.5551 208.682 -141.391 GPRESSURE: 1273600 162.717 -113.097 -36.5342 4.51944 -97.509 224.426 -65.1078 191.342 -165.076 PRESSAVG: 1273600 -18.5633 -0.133631 33.4712 -0.133682 36.5507 -23.4092 33.4712 -23.4091 23.1068 GPRESSAVG: 1273600 -18.9859 -0.527217 34.292 2.27926 37.3528 -22.555 32.5467 -24.6623 22.7818 TIMING: 1273600 CPU: 4039.68, 0.00322742/step Wall: 4039.68, 0.00322742/step, 3.34074 hours remaining, 236.871094 MB of memory in use. ENERGY: 1273600 4024.4082 20468.6152 14470.3283 252.1907 -203197.5559 2674.2899 0.0000 0.0000 51889.8606 -109417.8630 298.2117 -161307.7236 -109052.4885 299.4494 -65.4062 -33.2892 761797.1363 13.6981 13.7162 PRESSURE: 1273800 -124.981 -41.5576 57.1981 -41.5574 -431.787 -125.786 57.1979 -125.785 -455.238 GPRESSURE: 1273800 -82.328 26.6502 -15.3587 -76.6337 -353.211 -161.887 -21.3156 -120.938 -512.672 PRESSAVG: 1273800 35.4577 -67.0595 -10.8927 -67.0595 -42.1494 16.6252 -10.8928 16.6252 4.48769 GPRESSAVG: 1273800 37.1513 -64.9761 -12.2547 -68.5816 -44.4457 16.1045 -7.96026 16.8319 5.43725 TIMING: 1273800 CPU: 4040.33, 0.00323546/step Wall: 4040.33, 0.00323546/step, 3.34888 hours remaining, 236.871094 MB of memory in use. ENERGY: 1273800 4032.8633 20599.2578 14431.9866 257.7909 -202958.0760 2290.6727 0.0000 0.0000 52006.7094 -109338.7953 298.8833 -161345.5046 -108976.7584 298.6898 -337.3354 -316.0702 760948.6630 -0.7346 -0.6190 PRESSURE: 1274000 -35.164 -67.3739 209.194 -67.3744 -34.3549 -127.243 209.194 -127.243 43.6231 GPRESSURE: 1274000 33.4249 13.8047 209.609 -228.567 -68.036 -220.329 231.288 -38.7521 78.0532 PRESSAVG: 1274000 21.28 1.61148 44.4063 1.61157 8.4067 -20.6563 44.4064 -20.6563 0.773915 GPRESSAVG: 1274000 20.2465 0.492117 44.475 1.05977 9.69925 -22.215 42.647 -21.0431 0.373495 TIMING: 1274000 CPU: 4040.98, 0.0032248/step Wall: 4040.98, 0.0032248/step, 3.33767 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1274000 4019.4041 20453.1069 14526.1266 252.2821 -202975.2726 2396.8388 0.0000 0.0000 51918.5377 -109408.9763 298.3765 -161327.5140 -109054.0516 298.4641 -8.6320 14.4807 762749.9969 10.1536 10.1064 PRESSURE: 1274200 -129.41 -16.8316 133.909 -16.8316 -81.8389 134.001 133.91 134 -140.381 GPRESSURE: 1274200 -76.1613 -73.7336 107.676 -64.9535 -3.4477 91.4297 -22.163 284.55 -197.524 PRESSAVG: 1274200 24.3866 6.71812 -50.7403 6.71817 2.95063 -20.05 -50.7403 -20.0499 -2.45301 GPRESSAVG: 1274200 23.7692 6.46566 -50.4691 7.82589 3.06925 -17.482 -48.4838 -17.4417 -2.03801 TIMING: 1274200 CPU: 4041.62, 0.0032144/step Wall: 4041.62, 0.0032144/step, 3.32673 hours remaining, 236.871094 MB of memory in use. ENERGY: 1274200 3976.5358 20484.7495 14493.5694 279.7207 -203221.4734 2742.1002 0.0000 0.0000 51977.0436 -109267.7542 298.7128 -161244.7978 -108903.3386 299.2833 -117.2097 -92.3776 762329.7540 8.2947 8.2668 PRESSURE: 1274400 -323.869 34.742 -50.4559 34.7407 -380.159 206.332 -50.4552 206.332 -293.214 GPRESSURE: 1274400 -264.268 82.4808 -6.35204 53.9081 -338.02 150.908 -44.6501 72.5587 -320.754 PRESSAVG: 1274400 6.38745 -10.29 13.1048 -10.2901 -26.2835 -30.0209 13.1048 -30.0209 -3.73522 GPRESSAVG: 1274400 6.92785 -10.6287 14.8237 -11.2581 -25.7573 -30.2354 10.7701 -30.1903 -4.71456 TIMING: 1274400 CPU: 4042.27, 0.00323087/step Wall: 4042.27, 0.00323087/step, 3.34359 hours remaining, 236.871094 MB of memory in use. ENERGY: 1274400 4023.0759 20503.4204 14492.6842 248.1890 -202736.5974 2419.2459 0.0000 0.0000 51940.3584 -109109.6237 298.5020 -161049.9821 -108758.2944 299.1573 -332.4140 -307.6806 764927.6932 -7.8771 -7.8480 PRESSURE: 1274600 152.891 -115.031 120.108 -115.031 10.5593 -21.4598 120.108 -21.4606 -217.572 GPRESSURE: 1274600 186.285 -23.7761 137.761 34.5094 -10.8355 -55.899 148.798 153.565 -144.666 PRESSAVG: 1274600 0.870765 -80.5206 6.99893 -80.5205 -42.897 33.3371 6.99891 33.337 17.5439 GPRESSAVG: 1274600 0.470881 -82.4316 6.70275 -77.5318 -42.9257 33.2583 7.14041 31.4792 18.0378 TIMING: 1274600 CPU: 4042.91, 0.00320443/step Wall: 4042.91, 0.00320443/step, 3.31605 hours remaining, 236.871094 MB of memory in use. ENERGY: 1274600 4070.6703 20453.6016 14500.0784 270.6077 -202956.6048 2550.1593 0.0000 0.0000 52005.8386 -109105.6488 298.8783 -161111.4874 -108746.7460 299.6592 -18.0407 10.2612 762179.6228 -8.1608 -8.1390 PRESSURE: 1274800 37.2277 -282.074 -170.033 -282.074 97.9937 -25.0847 -170.033 -25.0834 -291.69 GPRESSURE: 1274800 70.0665 -327.459 -56.9841 -265.087 119.009 88.6387 -174.123 -48.5075 -246.33 PRESSAVG: 1274800 -13.8184 -2.09056 16.4252 -2.09061 25.9044 0.29243 16.4252 0.292319 -16.9253 GPRESSAVG: 1274800 -13.0964 0.571083 15.1636 -4.79858 23.9815 -0.361226 18.3312 2.11297 -15.9438 TIMING: 1274800 CPU: 4043.56, 0.00324432/step Wall: 4043.56, 0.00324432/step, 3.35715 hours remaining, 236.871094 MB of memory in use. ENERGY: 1274800 4050.7960 20580.8486 14527.5797 251.5664 -203050.5622 2549.8104 0.0000 0.0000 52125.6352 -108964.3260 299.5667 -161089.9612 -108601.8783 300.0195 -52.1561 -19.0850 760588.3643 -1.6131 -1.6862 PRESSURE: 1275000 -188.638 47.7306 4.7971 47.7311 -417.636 -38.1761 4.797 -38.1776 71.5569 GPRESSURE: 1275000 -186.223 -16.2272 77.4226 -109.723 -388.391 -2.78025 40.0893 -98.9252 122.98 PRESSAVG: 1275000 -58.853 -24.1087 42.4204 -24.1086 28.7742 -2.4679 42.4203 -2.46795 -10.2728 GPRESSAVG: 1275000 -57.8072 -23.8192 44.1357 -24.7566 30.3735 -1.78036 39.5876 -4.16641 -12.5167 TIMING: 1275000 CPU: 4044.2, 0.00323345/step Wall: 4044.2, 0.00323345/step, 3.34573 hours remaining, 236.871094 MB of memory in use. ENERGY: 1275000 4034.8494 20652.8181 14506.1567 230.7447 -202974.3038 2492.6715 0.0000 0.0000 52116.1735 -108940.8899 299.5124 -161057.0634 -108589.7257 299.9010 -178.2391 -150.5450 763089.3502 -13.4505 -13.3168 PRESSURE: 1275200 37.9674 -163.252 -13.7473 -163.252 157.365 157.535 -13.7471 157.535 141 GPRESSURE: 1275200 28.3869 -177.599 -77.6076 -160.988 202.323 114.546 -43.6779 174.244 195.242 PRESSAVG: 1275200 -51.6127 -5.17057 -26.4716 -5.17058 10.0861 -43.0072 -26.4717 -43.0072 -23.5043 GPRESSAVG: 1275200 -52.9324 -5.31135 -26.6056 -4.83467 10.5162 -45.7924 -24.2384 -44.286 -22.2207 TIMING: 1275200 CPU: 4044.85, 0.00321921/step Wall: 4044.85, 0.00321921/step, 3.33081 hours remaining, 236.871094 MB of memory in use. ENERGY: 1275200 4012.6631 20504.5118 14517.7207 254.8745 -202908.2193 2715.7644 0.0000 0.0000 52276.6855 -108625.9993 300.4348 -160902.6848 -108255.9088 300.3745 112.1107 141.9838 764655.8142 -21.6770 -21.5456 PRESSURE: 1275400 -183.455 123.859 90.6248 123.859 -309.442 6.3533 90.6248 6.3529 -211.386 GPRESSURE: 1275400 -253.227 150.999 149.147 155.954 -194.208 -41.1054 79.3922 10.0221 -200.303 PRESSAVG: 1275400 -30.8102 -22.2512 -1.86069 -22.2513 15.3015 -17.7406 -1.86071 -17.7406 18.9813 GPRESSAVG: 1275400 -30.7978 -22.1431 -2.12202 -21.5444 15.0917 -15.4575 -2.36996 -16.3471 19.3982 TIMING: 1275400 CPU: 4045.49, 0.00322923/step Wall: 4045.49, 0.00322923/step, 3.34099 hours remaining, 236.871094 MB of memory in use. ENERGY: 1275400 4049.4866 20611.8839 14529.1129 236.6346 -202777.3954 2471.1339 0.0000 0.0000 52177.6045 -108701.5391 299.8654 -160879.1435 -108336.9374 300.9484 -234.7609 -215.9127 764520.9092 1.1575 1.2307 PRESSURE: 1275600 -163.678 -100.016 -160.929 -100.015 280.102 -14.8838 -160.93 -14.8824 -235.152 GPRESSURE: 1275600 -136.655 -205.793 -43.0827 1.89193 292.802 -12.7805 -76.3528 -16.4938 -193.1 PRESSAVG: 1275600 0.845217 -62.8005 -37.0579 -62.8005 -10.341 -46.3153 -37.0579 -46.3153 7.72255 GPRESSAVG: 1275600 0.737696 -63.5661 -37.1615 -61.9652 -10.3491 -47.8292 -37.0258 -44.3273 7.2207 TIMING: 1275600 CPU: 4046.13, 0.00321359/step Wall: 4046.13, 0.00321359/step, 3.32463 hours remaining, 236.871094 MB of memory in use. ENERGY: 1275600 4023.9538 20535.5420 14539.4592 243.9932 -203399.1761 3039.2996 0.0000 0.0000 52258.9903 -108757.9380 300.3331 -161016.9283 -108398.5684 300.2745 -39.5760 -12.3176 762734.5687 -0.5911 -0.7969 PRESSURE: 1275800 -310.189 -69.257 48.7484 -69.2574 -6.25031 64.4432 48.7478 64.4443 -76.2736 GPRESSURE: 1275800 -232.956 -89.4432 33.7362 -87.4046 51.68 125.781 70.2617 52.861 -121.698 PRESSAVG: 1275800 -15.2794 -29.0333 -12.0189 -29.0333 -5.84841 8.99574 -12.0189 8.99576 9.97835 GPRESSAVG: 1275800 -16.2579 -29.4322 -11.0836 -30.2145 -5.07681 10.5614 -13.1974 7.60462 9.78328 TIMING: 1275800 CPU: 4046.77, 0.00320235/step Wall: 4046.77, 0.00320235/step, 3.31283 hours remaining, 236.871094 MB of memory in use. ENERGY: 1275800 3983.8953 20674.6283 14459.0145 247.9667 -203034.9938 2559.0761 0.0000 0.0000 52381.7710 -108728.6418 301.0388 -161110.4127 -108370.9742 300.5473 -130.9043 -100.9912 762036.9666 -3.7165 -3.8505 PRESSURE: 1276000 110.681 -7.82112 63.672 -7.82144 199.426 219.654 63.6722 219.654 -12.1886 GPRESSURE: 1276000 118.952 -11.4365 110.659 -51.3807 186.041 185.329 55.936 176.394 81.1275 PRESSAVG: 1276000 -70.3894 -60.6291 7.91578 -60.6292 70.3452 23.8486 7.91578 23.8487 5.59609 GPRESSAVG: 1276000 -69.3932 -59.2128 6.31897 -60.2103 69.6924 23.6823 8.88868 24.2923 6.08473 TIMING: 1276000 CPU: 4047.41, 0.00318898/step Wall: 4047.41, 0.00318898/step, 3.29882 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1276000 3998.8327 20641.2310 14494.0396 261.1205 -203352.8839 2941.7431 0.0000 0.0000 52310.9691 -108704.9480 300.6319 -161015.9170 -108347.1725 300.7222 99.3062 128.7067 761349.1557 1.8506 2.1280 PRESSURE: 1276200 114.027 88.2685 27.0436 88.269 66.9421 -269.36 27.0436 -269.361 247.266 GPRESSURE: 1276200 170.563 6.87993 88.3656 27.6776 135.399 -176.112 20.245 -212.081 223.922 PRESSAVG: 1276200 -32.4634 -43.7388 6.10386 -43.7388 80.0372 32.6996 6.10385 32.6996 -11.2885 GPRESSAVG: 1276200 -31.9805 -45.7003 7.56832 -44.7495 79.467 32.8272 7.07272 32.3327 -11.7529 TIMING: 1276200 CPU: 4048.05, 0.00319011/step Wall: 4048.05, 0.00319011/step, 3.29981 hours remaining, 236.871094 MB of memory in use. ENERGY: 1276200 4005.8885 20787.3153 14503.6069 248.4024 -203080.8720 2770.3182 0.0000 0.0000 51969.0849 -108796.2557 298.6670 -160765.3406 -108441.5719 300.4033 142.7451 176.6283 760619.2473 12.0951 11.9112 LDB: ============= START OF LOAD BALANCING ============== 4060.5 LDB: ============== END OF LOAD BALANCING =============== 4060.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4060.51 LDB: ============= START OF LOAD BALANCING ============== 4060.83 LDB: Largest compute 7068 load 0.037289 is 19.1% of average load 0.195146 LDB: Average compute 0.004431 is 2.3% of average load 0.195146 LDB: TIME 4060.83 LOAD: AVG 0.195146 MAX 0.215294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 4060.83 LOAD: AVG 0.195146 MAX 0.215294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 4060.83 LOAD: AVG 0.195146 MAX 0.215294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 4060.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4060.84 PRESSURE: 1276400 115.562 28.2476 -110.804 28.248 359.749 113.74 -110.805 113.741 340.419 GPRESSURE: 1276400 228.852 73.2477 -153.857 166.943 359.674 138.756 -188.966 174.557 302.227 PRESSAVG: 1276400 21.0879 -29.7713 -3.09683 -29.7713 -18.9755 60.8698 -3.09683 60.8699 6.91414 GPRESSAVG: 1276400 19.8565 -29.6078 -6.05768 -28.2503 -18.9145 60.5337 -2.37623 59.2421 7.49148 TIMING: 1276400 CPU: 4048.7, 0.00325319/step Wall: 4048.7, 0.00325319/step, 3.36488 hours remaining, 237.953125 MB of memory in use. ENERGY: 1276400 3913.1199 20655.6185 14486.7636 263.3279 -203237.6555 2845.9366 0.0000 0.0000 52269.0150 -108803.8740 300.3907 -161072.8890 -108437.4136 299.8957 271.9103 296.9176 760359.2292 3.0088 2.8112 PRESSURE: 1276600 84.9514 -176.638 -79.1492 -176.637 -1.95439 -163.844 -79.149 -163.843 -205.447 GPRESSURE: 1276600 118.679 -221.775 -8.15312 -53.8545 -28.1743 -131.567 -135.785 -218.831 -123.916 PRESSAVG: 1276600 2.1722 -23.0883 -27.929 -23.0883 0.697994 21.599 -27.929 21.599 -28.9022 GPRESSAVG: 1276600 3.36656 -23.75 -26.7544 -21.9727 0.577456 21.5485 -28.9513 21.7092 -29.0723 TIMING: 1276600 CPU: 4049.34, 0.0032066/step Wall: 4049.34, 0.0032066/step, 3.31651 hours remaining, 238.097656 MB of memory in use. ENERGY: 1276600 3961.5696 20585.0665 14520.6597 246.0619 -203021.7536 2628.1044 0.0000 0.0000 52113.3207 -108966.9708 299.4960 -161080.2915 -108603.1453 300.2813 -40.8166 -11.1373 762654.5732 -8.6774 -8.3761 PRESSURE: 1276800 434.057 -68.9965 -7.34698 -68.9967 91.2091 -238.775 -7.347 -238.775 68.3316 GPRESSURE: 1276800 344.223 -39.6588 37.8679 -45.9027 227.996 -134.243 61.3902 -226.013 99.6431 PRESSAVG: 1276800 -42.0198 -33.8456 -42.4776 -33.8456 56.3858 -0.0401788 -42.4776 -0.0401669 0.772802 GPRESSAVG: 1276800 -42.6043 -32.1747 -40.6286 -35.1439 56.914 0.822354 -42.8098 1.45439 1.16081 TIMING: 1276800 CPU: 4049.98, 0.00320121/step Wall: 4049.98, 0.00320121/step, 3.31076 hours remaining, 238.097656 MB of memory in use. ENERGY: 1276800 4064.5930 20528.4418 14549.1246 259.7894 -203502.7519 2941.1192 0.0000 0.0000 52210.9868 -108948.6973 300.0573 -161159.6840 -108583.3620 299.8559 197.8661 223.9538 760221.9986 5.0463 5.1568 PRESSURE: 1277000 -167.312 -1.99189 42.1434 -1.99135 -130.658 178.48 42.1436 178.48 -30.8382 GPRESSURE: 1277000 -36.3393 -15.7725 -59.9658 -29.5688 -200.221 160.493 158.993 153.197 -12.2921 PRESSAVG: 1277000 -27.7811 -19.7625 -14.4601 -19.7624 -20.569 2.92732 -14.4601 2.9273 14.728 GPRESSAVG: 1277000 -26.7719 -19.0927 -15.7722 -19.923 -19.9369 1.9885 -14.3841 3.2412 12.9857 TIMING: 1277000 CPU: 4050.62, 0.00320931/step Wall: 4050.62, 0.00320931/step, 3.31896 hours remaining, 238.097656 MB of memory in use. ENERGY: 1277000 4016.8627 20450.6580 14515.0702 235.0777 -202872.3779 2406.3386 0.0000 0.0000 52340.9948 -108907.3758 300.8044 -161248.3706 -108539.7334 300.2344 -109.6027 -82.9508 762066.8110 -11.2074 -11.2411 PRESSURE: 1277200 19.202 168.251 -165.838 168.251 -6.15437 -105.68 -165.839 -105.679 341.495 GPRESSURE: 1277200 59.0435 72.0886 -113.167 116.418 34.6632 -139.95 -145.136 -248.817 346.394 PRESSAVG: 1277200 -4.64153 4.44292 1.97441 4.44294 21.1026 22.6821 1.97442 22.682 20.4078 GPRESSAVG: 1277200 -4.82872 2.52144 2.71984 4.41614 20.7493 21.4704 4.88314 23.8837 20.3877 TIMING: 1277200 CPU: 4051.27, 0.00322889/step Wall: 4051.27, 0.00322889/step, 3.33903 hours remaining, 238.097656 MB of memory in use. ENERGY: 1277200 3999.0466 20590.5356 14517.0038 243.2239 -203525.0551 2707.2275 0.0000 0.0000 52202.5506 -109265.4672 300.0088 -161468.0178 -108905.1270 300.2850 118.1811 146.7001 759920.5452 12.2896 12.1028 PRESSURE: 1277400 -265.931 -247.241 147.502 -247.241 -144.634 31.1071 147.502 31.1084 -79.6713 GPRESSURE: 1277400 -233.593 -276.258 178.026 -268.634 -98.3342 35.0016 104.963 145.37 -83.3066 PRESSAVG: 1277400 4.02768 -70.1834 -28.0243 -70.1835 40.2286 -96.8169 -28.0243 -96.817 -3.0526 GPRESSAVG: 1277400 3.70093 -67.8122 -28.2996 -68.6186 38.8848 -96.7967 -30.0555 -98.1786 -1.6481 TIMING: 1277400 CPU: 4051.91, 0.00321814/step Wall: 4051.91, 0.00321814/step, 3.32774 hours remaining, 238.097656 MB of memory in use. ENERGY: 1277400 3928.4491 20654.7064 14459.0233 235.4790 -203115.4413 2449.4200 0.0000 0.0000 52055.0449 -109333.3185 299.1611 -161388.3634 -108965.3717 299.3831 -163.4123 -138.4114 761171.5108 13.7346 13.6459 PRESSURE: 1277600 -255.244 -45.1439 -66.9863 -45.1444 -208.347 -1.08998 -66.9862 -1.08915 -6.15898 GPRESSURE: 1277600 -172.817 22.2157 -144.54 -156.251 -196.283 67.1471 -95.9117 -10.8555 -9.05121 PRESSAVG: 1277600 3.51619 -82.4525 13.9091 -82.4525 22.6989 55.3888 13.9092 55.3888 12.8979 GPRESSAVG: 1277600 1.93725 -82.5095 13.762 -84.7445 24.4938 55.7604 13.6491 54.9815 12.2354 TIMING: 1277600 CPU: 4052.56, 0.00320774/step Wall: 4052.56, 0.00320774/step, 3.31681 hours remaining, 238.097656 MB of memory in use. ENERGY: 1277600 3956.6189 20640.4424 14444.7956 243.6813 -203045.4697 2281.6153 0.0000 0.0000 52105.9894 -109372.3268 299.4538 -161478.3162 -109022.0242 299.5542 -156.5833 -126.0506 760945.0050 13.0377 12.8888 PRESSURE: 1277800 25.058 -95.842 44.598 -95.842 48.8483 99.9359 44.5979 99.9351 226.323 GPRESSURE: 1277800 54.6301 -36.0845 -2.56265 -7.48811 168.147 134.79 25.7001 -65.2171 186.646 PRESSAVG: 1277800 15.0773 -17.705 19.3369 -17.7051 51.2977 -17.4887 19.3369 -17.4887 16.414 GPRESSAVG: 1277800 15.4633 -17.5033 19.0773 -17.4152 51.1672 -16.5858 19.5985 -17.1386 16.4426 TIMING: 1277800 CPU: 4053.2, 0.00320555/step Wall: 4053.2, 0.00320555/step, 3.31436 hours remaining, 238.097656 MB of memory in use. ENERGY: 1277800 4003.1723 20679.2253 14442.6381 250.0828 -203590.4892 2685.1650 0.0000 0.0000 52149.5023 -109380.7033 299.7039 -161530.2057 -109020.4601 299.6309 100.0766 136.4743 760373.6107 27.5963 27.6911 PRESSURE: 1278000 194.042 222.456 110.244 222.455 -160.632 214.597 110.244 214.596 -488.888 GPRESSURE: 1278000 212.516 169.492 140.226 166.835 -177.536 236.462 128.832 199.394 -401.34 PRESSAVG: 1278000 34.2367 -43.5013 36.0132 -43.5013 4.25999 12.4823 36.0132 12.4823 30.6108 GPRESSAVG: 1278000 34.3973 -41.666 35.1179 -42.5236 3.85112 12.4045 37.2287 12.7625 30.8724 TIMING: 1278000 CPU: 4053.84, 0.00320582/step Wall: 4053.84, 0.00320582/step, 3.31446 hours remaining, 238.097656 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: 1278000 3986.5484 20571.0019 14438.1450 247.0537 -203142.0195 2385.0950 0.0000 0.0000 52285.3786 -109228.7969 300.4848 -161514.1755 -108861.4255 299.6433 -151.8262 -122.1201 761134.4986 23.0358 23.0403 PRESSURE: 1278200 151.426 -16.0601 37.2008 -16.0606 132.423 354.709 37.2008 354.709 37.9731 GPRESSURE: 1278200 128.984 -200.572 58.7558 -2.68006 208.777 316.195 -115.945 274.838 65.4143 PRESSAVG: 1278200 23.7276 -54.6459 37.8365 -54.6458 -10.2257 -12.5105 37.8365 -12.5106 -25.1901 GPRESSAVG: 1278200 25.1492 -57.7127 40.0654 -53.1068 -12.3355 -11.4992 38.4978 -14.2229 -24.9457 TIMING: 1278200 CPU: 4054.48, 0.00323215/step Wall: 4054.48, 0.00323215/step, 3.34151 hours remaining, 238.097656 MB of memory in use. ENERGY: 1278200 3944.8224 20552.0370 14503.4641 271.5865 -203058.1927 2543.4851 0.0000 0.0000 52005.7997 -109236.9979 298.8780 -161242.7976 -108872.5290 299.4743 107.2740 134.3917 762210.4462 -3.8961 -4.0440 PRESSURE: 1278400 68.873 66.339 -158.785 66.3381 -73.93 -170.722 -158.785 -170.722 -146.05 GPRESSURE: 1278400 -32.2699 166.665 -44.1203 -32.5213 77.2705 -156.774 -168.744 -289.218 -96.8227 PRESSAVG: 1278400 18.0441 -37.6889 30.5571 -37.6889 -33.3851 19.6642 30.5571 19.6641 -4.77508 GPRESSAVG: 1278400 17.2304 -36.278 29.9447 -38.6428 -31.9 19.1172 30.045 20.1139 -5.30675 TIMING: 1278400 CPU: 4055.13, 0.00322691/step Wall: 4055.13, 0.00322691/step, 3.3359 hours remaining, 238.097656 MB of memory in use. ENERGY: 1278400 4044.2682 20491.1430 14471.1463 246.7233 -203130.9518 2435.0536 0.0000 0.0000 52222.4395 -109220.1779 300.1231 -161442.6174 -108847.5072 299.6068 -50.3689 -17.2740 761998.8900 -6.7053 -6.6588 PRESSURE: 1278600 -641.1 -125.858 95.66 -125.857 -293.053 -307.549 95.6609 -307.548 -179.223 GPRESSURE: 1278600 -594.191 -72.9861 45.057 -100.619 -295.847 -230 -87.9113 -333.002 -150.693 PRESSAVG: 1278600 -0.613964 -20.9003 36.8573 -20.9004 27.5195 -53.1859 36.8573 -53.1859 13.018 GPRESSAVG: 1278600 -0.0794733 -21.308 36.1099 -20.8545 28.001 -52.2007 35.3522 -52.3686 12.4418 TIMING: 1278600 CPU: 4055.77, 0.00321487/step Wall: 4055.77, 0.00321487/step, 3.32328 hours remaining, 238.097656 MB of memory in use. ENERGY: 1278600 4094.2571 20491.4033 14539.2923 255.0797 -203175.3371 2428.0050 0.0000 0.0000 51986.3683 -109380.9315 298.7664 -161367.2998 -109018.2343 299.7001 -371.1253 -346.9103 762353.4557 13.3078 13.4544 PRESSURE: 1278800 -439.334 301.664 2.36677 301.663 -103.158 -6.43053 2.36617 -6.43135 -351.71 GPRESSURE: 1278800 -343.088 175.617 30.5013 289.593 -76.2384 -50.6116 5.41228 23.5057 -387.395 PRESSAVG: 1278800 -33.1822 -18.9196 25.0821 -18.9195 28.4842 -21.8435 25.0822 -21.8434 3.97666 GPRESSAVG: 1278800 -33.2513 -20.0703 25.1301 -17.424 29.3139 -24.9157 26.7402 -19.0663 3.34784 TIMING: 1278800 CPU: 4056.42, 0.00323166/step Wall: 4056.42, 0.00323166/step, 3.34046 hours remaining, 238.097656 MB of memory in use. ENERGY: 1278800 4021.2434 20570.8543 14492.6151 254.4559 -203321.1176 2460.0221 0.0000 0.0000 52126.5645 -109395.3624 299.5721 -161521.9269 -109039.1791 299.3686 -298.0670 -268.9070 761817.8522 -0.2405 -0.1965 PRESSURE: 1279000 152.52 -125.981 -161.564 -125.982 181.482 307.145 -161.564 307.145 -14.0142 GPRESSURE: 1279000 140.798 -192.793 -117.696 -207.572 240.945 369.909 -84.3037 172.22 15.2045 PRESSAVG: 1279000 -31.2518 11.3103 -30.3393 11.3103 26.5784 -14.0321 -30.3394 -14.0322 -7.46257 GPRESSAVG: 1279000 -31.6893 13.0477 -32.3363 10.0343 26.2398 -11.581 -30.8291 -16.9257 -7.0881 TIMING: 1279000 CPU: 4057.06, 0.00322789/step Wall: 4057.06, 0.00322789/step, 3.33638 hours remaining, 238.097656 MB of memory in use. ENERGY: 1279000 3907.0996 20353.4762 14489.2420 267.7322 -203546.7807 2758.1335 0.0000 0.0000 52090.3922 -109680.7051 299.3642 -161771.0974 -109315.6420 298.7453 106.6627 132.3159 760957.2206 -4.0453 -4.1792 PRESSURE: 1279200 -344.591 138.015 20.6888 138.015 -44.0825 -53.3462 20.6888 -53.3475 247.61 GPRESSURE: 1279200 -216.399 77.1801 72.3347 124.104 -0.538214 -48.2881 105.539 -47.047 185.11 PRESSAVG: 1279200 -62.2545 -69.463 -10.166 -69.463 62.6994 -18.0838 -10.1661 -18.0839 6.99088 GPRESSAVG: 1279200 -60.6413 -69.3432 -8.03064 -68.1024 62.1158 -18.5057 -9.79903 -16.7348 6.28429 TIMING: 1279200 CPU: 4057.7, 0.00319885/step Wall: 4057.7, 0.00319885/step, 3.30619 hours remaining, 238.097656 MB of memory in use. ENERGY: 1279200 4005.6716 20327.7337 14423.1203 240.1779 -203490.1332 2705.9484 0.0000 0.0000 51933.9640 -109853.5174 298.4652 -161787.4814 -109490.4998 298.3369 -47.0212 -10.6091 759788.0594 2.4786 2.5863 PRESSURE: 1279400 348.775 -23.758 37.5243 -23.7572 202.687 43.6843 37.5241 43.6849 178.178 GPRESSURE: 1279400 289.719 -149.323 -19.1424 -25.3373 248.018 106.543 52.5155 168.241 271.47 PRESSAVG: 1279400 -9.86071 -11.8502 -8.06784 -11.8501 0.338924 -2.18974 -8.06782 -2.18972 19.6339 GPRESSAVG: 1279400 -10.8099 -12.9342 -8.13736 -14.4908 -0.446619 -3.08157 -7.72116 -1.37197 21.178 TIMING: 1279400 CPU: 4058.34, 0.0032035/step Wall: 4058.34, 0.0032035/step, 3.31082 hours remaining, 238.097656 MB of memory in use. ENERGY: 1279400 3906.9790 20500.7044 14477.7398 244.2595 -204080.8597 3065.3529 0.0000 0.0000 52005.6525 -109880.1717 298.8772 -161885.8242 -109518.4335 298.1500 243.2133 269.7356 758599.0211 3.3707 3.3072 PRESSURE: 1279600 108.556 -223.908 -84.5503 -223.908 131.264 131.074 -84.5497 131.074 -110.25 GPRESSURE: 1279600 191.468 -264.216 -36.1303 -139.25 81.5868 107.821 -50.1598 157.764 -72.1312 PRESSAVG: 1279600 -23.1533 -33.5158 -7.65843 -33.5158 0.107324 -20.4552 -7.65845 -20.4552 -26.7327 GPRESSAVG: 1279600 -23.1225 -34.9241 -7.91533 -31.6469 0.468014 -20.721 -7.63286 -20.4546 -27.1164 TIMING: 1279600 CPU: 4058.99, 0.00321436/step Wall: 4058.99, 0.00321436/step, 3.32187 hours remaining, 238.097656 MB of memory in use. ENERGY: 1279600 3970.6651 20605.8682 14471.1081 225.7272 -203544.9336 2562.5278 0.0000 0.0000 52098.3507 -109610.6864 299.4099 -161709.0372 -109256.4134 298.8172 43.1901 66.9746 758804.4803 -16.5929 -16.5903 PRESSURE: 1279800 -48.2937 -27.2841 121.935 -27.2841 313.227 27.7008 121.935 27.7006 162.259 GPRESSURE: 1279800 67.8687 50.384 105.047 -46.3941 322.162 26.8305 213.627 -7.60568 128.397 PRESSAVG: 1279800 2.15617 -42.7396 30.1408 -42.7396 5.64232 -4.63462 30.1407 -4.63461 -4.12286 GPRESSAVG: 1279800 0.915805 -42.455 30.9154 -44.3047 7.34798 -2.74546 28.4656 -5.86813 -3.96896 TIMING: 1279800 CPU: 4059.63, 0.0032334/step Wall: 4059.63, 0.0032334/step, 3.34136 hours remaining, 238.097656 MB of memory in use. ENERGY: 1279800 3984.2453 20535.5417 14469.2302 256.0833 -203637.7960 2593.4679 0.0000 0.0000 52028.3286 -109770.8990 299.0075 -161799.2276 -109416.9492 299.0583 142.3973 172.8091 759198.2578 1.2252 1.4316 PRESSURE: 1280000 143.402 118.609 189.014 118.609 222.334 45.1067 189.015 45.1066 -39.9559 GPRESSURE: 1280000 200.838 18.3914 96.701 109.809 243.051 71.1321 266.251 55.4337 -37.4193 PRESSAVG: 1280000 -2.54307 -70.2479 -16.0498 -70.2478 20.0293 28.5894 -16.0499 28.5894 19.8054 GPRESSAVG: 1280000 -0.688246 -69.2045 -17.3628 -67.6921 18.43 27.4771 -15.9716 27.9749 19.3476 TIMING: 1280000 CPU: 4060.28, 0.00322168/step Wall: 4060.28, 0.00322168/step, 3.32907 hours remaining, 238.097656 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: 1280000 3965.8114 20355.8204 14390.0980 260.2939 -203256.4931 2498.1864 0.0000 0.0000 52161.4441 -109624.8389 299.7725 -161786.2830 -109253.3681 299.0176 108.5931 135.4897 759609.4090 12.4306 12.3631 PRESSURE: 1280200 -66.7437 149.896 25.9725 149.897 -60.2399 -76.384 25.9725 -76.3835 -60.6007 GPRESSURE: 1280200 -131.006 26.9554 95.1511 111.801 51.6765 -179.296 -72.6682 -3.53038 -18.4539 PRESSAVG: 1280200 10.1248 -37.9663 49.7027 -37.9663 16.8064 34.5783 49.7027 34.5784 -24.0812 GPRESSAVG: 1280200 8.5645 -41.0923 51.4749 -39.4952 18.0553 35.4804 48.2103 33.9189 -23.731 TIMING: 1280200 CPU: 4060.92, 0.00320245/step Wall: 4060.92, 0.00320245/step, 3.30902 hours remaining, 238.097656 MB of memory in use. ENERGY: 1280200 4025.6228 20387.5863 14441.7987 247.2275 -203384.3728 2359.7891 0.0000 0.0000 52255.2955 -109667.0529 300.3119 -161922.3484 -109303.0850 298.7038 -62.5281 -32.5946 762256.1463 0.9500 0.9629 LDB: ============= START OF LOAD BALANCING ============== 4073.38 LDB: ============== END OF LOAD BALANCING =============== 4073.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4073.38 LDB: ============= START OF LOAD BALANCING ============== 4073.7 LDB: Largest compute 7059 load 0.039048 is 20.0% of average load 0.195119 LDB: Average compute 0.004415 is 2.3% of average load 0.195119 LDB: TIME 4073.7 LOAD: AVG 0.195119 MAX 0.216875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 4073.7 LOAD: AVG 0.195119 MAX 0.216875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: TIME 4073.7 LOAD: AVG 0.195119 MAX 0.216875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.219 MB LDB: ============== END OF LOAD BALANCING =============== 4073.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4073.71 PRESSURE: 1280400 -161.924 -14.4554 177.689 -14.4549 -95.6745 -4.39773 177.689 -4.39855 122.993 GPRESSURE: 1280400 -87.5295 -53.4364 196.904 -86.006 -102.851 -36.6183 214.195 -25.0415 138.079 PRESSAVG: 1280400 8.79896 -62.0213 6.31661 -62.0213 -32.1692 -16.3909 6.31658 -16.3908 -4.66796 GPRESSAVG: 1280400 10.0542 -58.7872 5.75306 -62.8569 -32.2337 -15.3667 7.67524 -14.7043 -5.33213 TIMING: 1280400 CPU: 4061.57, 0.00326371/step Wall: 4061.57, 0.00326371/step, 3.37214 hours remaining, 236.871094 MB of memory in use. ENERGY: 1280400 3982.7044 20411.9944 14427.4877 247.3694 -203222.7892 2365.5324 0.0000 0.0000 52085.8901 -109701.8107 299.3383 -161787.7008 -109342.0980 299.2288 -44.8684 -17.4338 762325.2280 -9.3461 -9.1706 PRESSURE: 1280600 21.7083 120.548 -119.993 120.548 -191.295 -54.843 -119.993 -54.8432 -60.8985 GPRESSURE: 1280600 45.2399 -73.5974 -93.3634 235.803 -165.3 -71.6242 40.7157 -57.1884 -25.1097 PRESSAVG: 1280600 -32.6916 -26.766 39.1029 -26.7661 28.3425 11.4934 39.1028 11.4933 12.8929 GPRESSAVG: 1280600 -33.2421 -27.5812 38.6586 -25.5449 28.0894 9.66951 39.7312 9.74685 13.6544 TIMING: 1280600 CPU: 4062.21, 0.00317977/step Wall: 4062.21, 0.00317977/step, 3.28523 hours remaining, 236.871094 MB of memory in use. ENERGY: 1280600 3935.8159 20383.5981 14483.6952 225.6434 -203572.8746 2492.1426 0.0000 0.0000 52126.0232 -109925.9561 299.5690 -162051.9792 -109558.4936 299.0318 -76.8283 -48.3899 762170.9766 2.8479 2.8339 PRESSURE: 1280800 82.0232 -177.873 -83.2304 -177.872 201.782 120.528 -83.2296 120.528 26.8696 GPRESSURE: 1280800 108.778 -193.633 -56.0737 -186.649 246.546 74.0865 27.0381 164.462 35.5601 PRESSAVG: 1280800 -30.7373 -86.5966 -18.6118 -86.5966 -7.72813 16.9546 -18.6117 16.9548 1.08816 GPRESSAVG: 1280800 -29.6125 -88.2584 -19.7713 -85.5591 -8.79916 16.8669 -17.1146 17.9326 0.598829 TIMING: 1280800 CPU: 4062.84, 0.00317023/step Wall: 4062.84, 0.00317023/step, 3.2752 hours remaining, 236.871094 MB of memory in use. ENERGY: 1280800 4006.7768 20509.5152 14422.1979 218.6216 -203661.7054 2637.3836 0.0000 0.0000 51929.9104 -109937.2998 298.4419 -161867.2102 -109568.8568 298.4309 103.5584 130.2947 760683.5851 -12.4591 -12.6043 PRESSURE: 1281000 414.933 121.899 -151.648 121.898 143.488 83.1 -151.648 83.0997 310.085 GPRESSURE: 1281000 463.93 73.1822 -83.1098 130.847 168.97 92.6991 -160.305 -27.2186 315.463 PRESSAVG: 1281000 5.97454 -28.9052 -12.5067 -28.9052 31.7234 -4.52336 -12.5067 -4.52335 -11.7174 GPRESSAVG: 1281000 5.39071 -26.1643 -11.6123 -30.7477 31.9409 -4.69217 -14.354 -2.98878 -11.3637 TIMING: 1281000 CPU: 4063.48, 0.00320041/step Wall: 4063.48, 0.00320041/step, 3.3062 hours remaining, 236.871094 MB of memory in use. ENERGY: 1281000 3942.9667 20490.9475 14477.9877 232.2954 -203947.7580 2894.3495 0.0000 0.0000 52100.7198 -109808.4915 299.4236 -161909.2112 -109444.5056 298.7943 289.5022 316.1211 760448.3989 8.6602 8.6560 PRESSURE: 1281200 244.806 125.63 -193.233 125.63 -96.6658 -162.3 -193.234 -162.301 216.013 GPRESSURE: 1281200 306.513 152.672 -158.452 99.1236 -41.1648 -215.867 -127.242 -91.5911 170.301 PRESSAVG: 1281200 40.6061 56.4828 -10.4285 56.4827 -14.3884 28.2239 -10.4284 28.224 19.0547 GPRESSAVG: 1281200 39.8657 56.1703 -9.98776 56.0009 -12.9938 28.9852 -11.2204 26.0402 18.6235 TIMING: 1281200 CPU: 4064.12, 0.00319395/step Wall: 4064.12, 0.00319395/step, 3.29935 hours remaining, 236.871094 MB of memory in use. ENERGY: 1281200 3941.0453 20392.7456 14462.1562 244.5868 -203700.6584 2660.1364 0.0000 0.0000 52290.7071 -109709.2809 300.5154 -161999.9880 -109333.9235 298.8720 121.3844 145.2165 761247.8341 15.0908 15.1651 PRESSURE: 1281400 -374.455 108.007 -139.201 108.008 -328.734 -245.193 -139.2 -245.193 67.4956 GPRESSURE: 1281400 -302.879 79.9603 -139.552 -15.6158 -230.747 -251.569 67.6044 -201.342 -0.127914 PRESSAVG: 1281400 -5.98624 2.2389 -11.771 2.23892 31.9616 25.0807 -11.771 25.0808 3.89211 GPRESSAVG: 1281400 -5.4505 1.06883 -11.7711 2.26807 31.3002 23.6632 -11.7677 24.2441 3.51535 TIMING: 1281400 CPU: 4064.76, 0.00319503/step Wall: 4064.76, 0.00319503/step, 3.30029 hours remaining, 236.871094 MB of memory in use. ENERGY: 1281400 4057.9218 20493.7699 14560.5579 250.4238 -203666.4087 2553.0621 0.0000 0.0000 51839.8515 -109910.8216 297.9243 -161750.6731 -109553.0960 298.7013 -211.8978 -177.9178 760009.6345 9.9558 9.7884 PRESSURE: 1281600 -72.4589 182.475 -97.6754 182.475 72.2182 -50.3947 -97.6748 -50.3945 68.9815 GPRESSURE: 1281600 34.0067 -9.61382 -123.377 134.626 68.2736 2.28794 -27.7477 -107.131 52.6329 PRESSAVG: 1281600 17.7813 12.7899 -7.87748 12.79 -78.5186 -5.34169 -7.87746 -5.34166 -19.8956 GPRESSAVG: 1281600 17.2927 13.2785 -7.72198 11.6389 -79.0138 -3.70533 -7.47107 -3.33007 -19.0505 TIMING: 1281600 CPU: 4065.4, 0.00319046/step Wall: 4065.4, 0.00319046/step, 3.29539 hours remaining, 236.871094 MB of memory in use. ENERGY: 1281600 4014.7985 20466.2538 14420.8954 241.7519 -203557.7187 2626.9845 0.0000 0.0000 51696.9424 -110090.0921 297.1030 -161787.0345 -109720.8406 297.8420 22.9136 51.6377 760315.1095 -26.8776 -26.9239 PRESSURE: 1281800 -338.954 -56.3546 -49.5271 -56.3539 -283.589 151.84 -49.5279 151.84 -59.4206 GPRESSURE: 1281800 -297.976 -55.2794 19.4534 -73.7681 -195.399 216.341 -207.974 78.3785 -101.855 PRESSAVG: 1281800 23.1478 -20.3919 -0.34791 -20.3919 -13.1478 32.4563 -0.347964 32.4562 17.2484 GPRESSAVG: 1281800 22.311 -20.9632 -0.318758 -18.7793 -12.4001 34.8626 0.547701 29.8303 16.7668 TIMING: 1281800 CPU: 4066.04, 0.00320571/step Wall: 4066.04, 0.00320571/step, 3.31096 hours remaining, 236.871094 MB of memory in use. ENERGY: 1281800 4015.5973 20490.3973 14403.2268 228.8700 -203402.7104 2357.5678 0.0000 0.0000 51891.7950 -110015.2562 298.2229 -161907.0512 -109655.2288 298.1726 -227.3214 -198.4098 760615.5758 9.0828 8.8926 PRESSURE: 1282000 -64.8679 -129.318 17.9006 -129.318 31.3815 -234.048 17.9013 -234.049 258.358 GPRESSURE: 1282000 37.7246 -114.983 29.2289 -77.8104 134.094 -219.493 33.598 -79.4111 139.971 PRESSAVG: 1282000 52.3025 -55.7309 -9.40858 -55.7309 -23.3277 26.1258 -9.40856 26.1258 33.4945 GPRESSAVG: 1282000 53.3046 -56.5827 -9.55681 -56.3072 -23.9612 24.2199 -9.1105 28.9424 33.1136 TIMING: 1282000 CPU: 4066.68, 0.00319545/step Wall: 4066.68, 0.00319545/step, 3.30019 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1282000 3863.6253 20528.8797 14415.1430 245.8386 -203758.0910 2661.1587 0.0000 0.0000 51976.9920 -110066.4536 298.7125 -162043.4457 -109712.6543 298.1824 74.9573 103.9300 758944.1169 20.8231 20.8190 PRESSURE: 1282200 78.2503 71.0424 -65.0676 71.0426 -139.808 -46.6607 -65.0676 -46.6613 93.1858 GPRESSURE: 1282200 107.325 45.1497 -78.416 -5.94877 -80.6736 31.6218 38.0792 -106.117 72.9368 PRESSAVG: 1282200 -15.1956 -15.1392 25.7894 -15.1392 11.6214 36.3877 25.7894 36.3877 -28.3234 GPRESSAVG: 1282200 -16.4908 -14.8635 25.3674 -13.9241 11.718 36.6782 26.6651 35.8539 -27.8162 TIMING: 1282200 CPU: 4067.32, 0.00319314/step Wall: 4067.32, 0.00319314/step, 3.29763 hours remaining, 236.871094 MB of memory in use. ENERGY: 1282200 3923.8578 20568.8869 14408.8384 239.3817 -203825.9710 2693.6315 0.0000 0.0000 51843.4374 -110147.9374 297.9449 -161991.3748 -109782.4173 297.2845 10.5429 33.1962 759746.7238 -10.6325 -10.8630 PRESSURE: 1282400 -71.1936 -155.869 -210.674 -155.868 -172.328 -41.8971 -210.674 -41.8973 60.68 GPRESSURE: 1282400 4.69454 -152.004 -263.968 -134.26 -97.2655 3.62394 -79.5165 -13.2949 0.824252 PRESSAVG: 1282400 29.6093 -62.6577 -9.98208 -62.6576 -3.4101 64.6057 -9.98209 64.6056 21.9504 GPRESSAVG: 1282400 30.1564 -63.7483 -8.55591 -63.4689 -4.82546 63.383 -11.8896 66.1728 22.6141 TIMING: 1282400 CPU: 4067.96, 0.00322367/step Wall: 4067.96, 0.00322367/step, 3.32898 hours remaining, 236.871094 MB of memory in use. ENERGY: 1282400 3908.5300 20341.1507 14409.8470 256.0861 -203185.6416 2188.0180 0.0000 0.0000 51797.8953 -110284.1146 297.6832 -162082.0099 -109923.1300 297.6790 -60.9473 -30.5822 759598.4133 16.0499 15.9817 PRESSURE: 1282600 -394.164 -283.851 -36.0548 -283.852 -260.955 -196.392 -36.0539 -196.391 -8.64167 GPRESSURE: 1282600 -363.858 -302.383 -2.61832 -303.836 -195.226 -313.308 8.12238 -61.3583 -14.1131 PRESSAVG: 1282600 34.9486 -25.7485 10.7732 -25.7485 11.2908 59.9924 10.7732 59.9924 -2.54065 GPRESSAVG: 1282600 34.6713 -23.3988 9.62905 -26.2732 12.398 59.5486 11.7394 59.346 -2.74611 TIMING: 1282600 CPU: 4068.6, 0.0032173/step Wall: 4068.6, 0.0032173/step, 3.32222 hours remaining, 236.871094 MB of memory in use. ENERGY: 1282600 3899.7001 20404.6965 14359.3125 236.6136 -203587.7080 2350.4234 0.0000 0.0000 51873.5817 -110463.3802 298.1182 -162336.9619 -110098.5874 297.3927 -221.2537 -191.0657 758619.2877 14.5662 14.7744 PRESSURE: 1282800 -116.054 59.7907 67.5319 59.7911 213.412 210.11 67.5312 210.111 629.051 GPRESSURE: 1282800 -16.5364 -52.7608 26.5312 -23.6163 234.506 211.389 -5.06495 151.609 586.704 PRESSAVG: 1282800 4.52322 -8.12941 -23.2259 -8.12939 19.9252 44.1708 -23.2259 44.1708 8.26203 GPRESSAVG: 1282800 5.22061 -12.1193 -23.399 -5.79932 19.4393 44.2119 -22.4477 46.655 8.26426 TIMING: 1282800 CPU: 4069.25, 0.00321851/step Wall: 4069.25, 0.00321851/step, 3.32329 hours remaining, 236.871094 MB of memory in use. ENERGY: 1282800 3878.4574 20409.8891 14423.2100 230.4885 -204176.5681 2743.1713 0.0000 0.0000 52094.6138 -110396.7380 299.3885 -162491.3518 -110028.3837 296.9696 242.1360 268.2246 759607.6464 10.9035 10.9747 PRESSURE: 1283000 -354.552 66.8207 232.442 66.8215 -4.00269 14.2491 232.441 14.2494 -596.699 GPRESSURE: 1283000 -310.285 98.502 296.112 20.7849 126.543 -29.6526 308.917 -25.0478 -693.853 PRESSAVG: 1283000 -8.10388 -40.5074 41.2951 -40.5075 10.0131 41.9443 41.2951 41.9443 -30.9435 GPRESSAVG: 1283000 -8.20121 -38.7402 40.2548 -40.6826 9.90965 41.7761 41.1932 37.6427 -30.6732 TIMING: 1283000 CPU: 4069.89, 0.00321588/step Wall: 4069.89, 0.00321588/step, 3.32039 hours remaining, 236.871094 MB of memory in use. ENERGY: 1283000 3970.9233 20483.1403 14393.5339 243.1634 -203679.7658 2577.2801 0.0000 0.0000 51978.2796 -110033.4453 298.7199 -162011.7249 -109679.3410 298.0208 -318.4180 -292.5317 761400.7676 -9.6781 -9.6549 PRESSURE: 1283200 -72.9893 -258.919 -73.4824 -258.92 245.363 -168.815 -73.4819 -168.815 -18.8409 GPRESSURE: 1283200 -66.1262 -106.157 -132.224 -197.343 259.858 -274.589 -40.0051 -199.372 46.9435 PRESSAVG: 1283200 -8.42732 -7.50909 26.2746 -7.50908 8.77394 -41.7515 26.2745 -41.7515 -8.02034 GPRESSAVG: 1283200 -9.3926 -4.20783 26.2466 -9.19141 8.85061 -40.5784 24.6472 -42.1368 -6.34273 TIMING: 1283200 CPU: 4070.53, 0.00320404/step Wall: 4070.53, 0.00320404/step, 3.30799 hours remaining, 236.871094 MB of memory in use. ENERGY: 1283200 4087.1838 20644.0375 14490.9698 242.8410 -203853.6812 2661.7153 0.0000 0.0000 51897.2198 -109829.7138 298.2540 -161726.9337 -109474.9340 298.1996 51.1776 80.2249 759237.1884 -2.5579 -2.2949 PRESSURE: 1283400 118.927 -39.5026 -52.1161 -39.5031 536.86 59.5455 -52.1162 59.5457 -53.8777 GPRESSURE: 1283400 89.3365 -137.439 -92.9484 32.2855 567.02 70.6482 138.616 128.64 35.282 PRESSAVG: 1283400 25.6482 -44.5235 -4.97458 -44.5235 50.3602 3.6897 -4.97455 3.6897 8.73138 GPRESSAVG: 1283400 27.6822 -48.0058 -5.78184 -41.4347 49.5045 4.01274 -3.01299 6.37343 7.63462 TIMING: 1283400 CPU: 4071.17, 0.00321092/step Wall: 4071.17, 0.00321092/step, 3.31492 hours remaining, 236.871094 MB of memory in use. ENERGY: 1283400 3901.8919 20623.8288 14433.7904 235.0968 -204080.5114 2875.1682 0.0000 0.0000 51966.8105 -110043.9247 298.6540 -162010.7352 -109685.1268 298.7293 200.6365 230.5462 758994.6285 28.2466 28.2738 PRESSURE: 1283600 31.298 -152.426 108.419 -152.426 447.361 179.93 108.419 179.931 122.251 GPRESSURE: 1283600 120.103 -24.1713 -77.4406 -108.99 442.463 253.917 188.748 -2.12744 132.621 PRESSAVG: 1283600 -28.9811 -53.2498 -34.2867 -53.2497 -3.82474 59.715 -34.2867 59.7149 -21.1225 GPRESSAVG: 1283600 -29.2006 -50.2847 -33.3022 -56.422 -2.33256 59.1688 -34.2421 57.7558 -22.8519 TIMING: 1283600 CPU: 4071.82, 0.0032272/step Wall: 4071.82, 0.0032272/step, 3.33154 hours remaining, 236.871094 MB of memory in use. ENERGY: 1283600 3851.8203 20570.8334 14446.7685 256.8268 -204114.4436 3168.7647 0.0000 0.0000 51765.6017 -110053.8283 297.4976 -161819.4300 -109698.5782 298.4425 200.3035 231.7289 759297.1806 -17.9761 -18.1284 PRESSURE: 1283800 40.0397 -38.1089 -46.4057 -38.1089 -137.562 328.886 -46.4055 328.886 302.852 GPRESSURE: 1283800 -64.5046 -26.1228 52.0232 -4.21031 -4.20247 347.371 -7.99787 221.027 361.171 PRESSAVG: 1283800 -55.2339 37.7307 -55.3731 37.7306 72.9592 1.90173 -55.3731 1.90172 6.55349 GPRESSAVG: 1283800 -57.09 36.3909 -54.8602 40.3672 72.1043 1.27281 -57.7598 4.16791 8.69063 TIMING: 1283800 CPU: 4072.46, 0.00320693/step Wall: 4072.46, 0.00320693/step, 3.31044 hours remaining, 236.871094 MB of memory in use. ENERGY: 1283800 3997.7980 20601.0023 14454.5499 242.9282 -203796.5554 2739.8572 0.0000 0.0000 51870.2934 -109890.1263 298.0993 -161760.4197 -109525.1272 298.6635 68.4432 97.4879 760804.3328 8.0929 7.9016 PRESSURE: 1284000 -162.099 -214.893 89.8921 -214.893 -262.285 -37.5293 89.893 -37.5297 -341.776 GPRESSURE: 1284000 -95.0409 -130.65 102.189 -224.043 -216.143 -111.187 146.32 47.9767 -387.881 PRESSAVG: 1284000 -47.454 -40.2972 -24.4618 -40.2972 16.0093 64.4259 -24.4618 64.426 3.81361 GPRESSAVG: 1284000 -46.9608 -38.6759 -25.0559 -42.6241 16.8333 65.6722 -21.7573 60.8888 1.96709 TIMING: 1284000 CPU: 4073.1, 0.00320612/step Wall: 4073.1, 0.00320612/step, 3.30942 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1284000 3975.0423 20679.5629 14473.9757 242.4650 -203619.7009 2331.0072 0.0000 0.0000 52107.3495 -109810.2982 299.4617 -161917.6477 -109447.8899 298.6606 -255.3867 -233.0218 760999.2882 -9.2104 -9.3868 PRESSURE: 1284200 -144.824 -102.71 18.1754 -102.71 -126.453 0.439757 18.1763 0.440004 -142.294 GPRESSURE: 1284200 -97.0805 -36.5034 112.432 73.8193 -131.887 -37.8675 -34.1136 -80.4625 -105.765 PRESSAVG: 1284200 5.07313 -13.7208 36.9263 -13.7208 -26.4888 24.0154 36.9263 24.0154 -11.2028 GPRESSAVG: 1284200 5.56272 -14.6548 38.2077 -11.7974 -27.3606 21.9925 34.8129 26.0702 -10.8691 TIMING: 1284200 CPU: 4073.74, 0.00319026/step Wall: 4073.74, 0.00319026/step, 3.29288 hours remaining, 236.871094 MB of memory in use. ENERGY: 1284200 3979.0804 20703.1363 14417.2386 256.4159 -203978.4293 2823.7035 0.0000 0.0000 51945.7667 -109853.0879 298.5330 -161798.8546 -109494.0703 298.8086 -137.8572 -111.5775 761639.1538 -10.8728 -10.8890 LDB: ============= START OF LOAD BALANCING ============== 4086.2 LDB: ============== END OF LOAD BALANCING =============== 4086.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4086.2 LDB: ============= START OF LOAD BALANCING ============== 4086.52 LDB: Largest compute 7060 load 0.036567 is 18.7% of average load 0.195025 LDB: Average compute 0.004433 is 2.3% of average load 0.195025 LDB: TIME 4086.53 LOAD: AVG 0.195025 MAX 0.21556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 4086.53 LOAD: AVG 0.195025 MAX 0.21556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 4086.53 LOAD: AVG 0.195025 MAX 0.21556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 4086.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4086.54 PRESSURE: 1284400 -1.59173 28.0447 -0.65624 28.0445 190.465 336.406 -0.655905 336.406 80.921 GPRESSURE: 1284400 23.2403 71.0327 -32.2204 -11.1694 291.151 267.39 -52.2031 360.335 58.5098 PRESSAVG: 1284400 -15.3841 -23.5274 17.999 -23.5274 14.0075 68.9836 17.9991 68.9836 -17.9731 GPRESSAVG: 1284400 -16.1039 -23.4253 18.5847 -24.1771 14.7066 70.1231 19.4421 69.2156 -17.933 TIMING: 1284400 CPU: 4074.4, 0.00329411/step Wall: 4074.4, 0.00329411/step, 3.39989 hours remaining, 238.210938 MB of memory in use. ENERGY: 1284400 3877.8488 20443.9752 14464.6431 230.4716 -203986.6886 2952.9831 0.0000 0.0000 51869.4836 -110147.2832 298.0946 -162016.7668 -109781.2995 298.2219 89.9316 124.3003 761092.5982 -6.4499 -6.4434 PRESSURE: 1284600 363.033 21.293 47.549 21.2927 259.569 -16.9773 47.5494 -16.9771 -195.842 GPRESSURE: 1284600 380.192 -9.30462 -8.44913 4.77829 271.122 37.4539 38.161 -27.4101 -146.478 PRESSAVG: 1284600 -6.32639 -43.4827 1.91015 -43.4827 19.2822 41.8195 1.91013 41.8196 -6.91043 GPRESSAVG: 1284600 -5.24952 -46.1149 1.06557 -42.5941 18.8406 43.2271 -0.30999 38.6286 -7.20847 TIMING: 1284600 CPU: 4075.04, 0.00320291/step Wall: 4075.04, 0.00320291/step, 3.30558 hours remaining, 238.210938 MB of memory in use. ENERGY: 1284600 4036.7166 20532.4849 14455.8168 241.9884 -204155.1982 2978.2673 0.0000 0.0000 51719.3578 -110190.5664 297.2319 -161909.9241 -109843.3295 297.7902 142.2531 168.2788 760325.6464 2.0151 2.1275 PRESSURE: 1284800 121.276 79.8925 -188.36 79.8922 -73.1112 213.754 -188.36 213.754 154.764 GPRESSURE: 1284800 199.244 63.6889 -214.053 113.732 -62.4394 116.917 -241.893 177.12 132.155 PRESSAVG: 1284800 1.13027 -2.28504 7.05814 -2.28504 -27.9835 -19.8132 7.05809 -19.8132 3.90999 GPRESSAVG: 1284800 0.349804 -0.366069 6.82933 -4.03117 -28.0458 -22.7287 6.92714 -18.0254 4.30188 TIMING: 1284800 CPU: 4075.68, 0.00321772/step Wall: 4075.68, 0.00321772/step, 3.32069 hours remaining, 238.210938 MB of memory in use. ENERGY: 1284800 4009.6477 20496.2434 14477.0690 247.8929 -203622.2078 2566.8862 0.0000 0.0000 51730.9873 -110093.4813 297.2987 -161824.4685 -109737.3236 297.7943 67.6428 89.6530 759408.0664 -7.6477 -7.7980 PRESSURE: 1285000 -51.6477 10.8445 -74.4967 10.8453 283.181 -22.1236 -74.496 -22.1234 -160.984 GPRESSURE: 1285000 8.20122 115.227 -39.346 124.324 326.694 21.3869 -40.4392 27.1869 -191.344 PRESSAVG: 1285000 57.361 -30.0435 -13.8675 -30.0436 -52.1305 -17.4916 -13.8675 -17.4916 12.7408 GPRESSAVG: 1285000 57.7156 -30.2648 -13.4039 -30.4559 -52.9949 -17.4794 -12.0774 -14.5948 13.1606 TIMING: 1285000 CPU: 4076.33, 0.00320563/step Wall: 4076.33, 0.00320563/step, 3.30803 hours remaining, 238.210938 MB of memory in use. ENERGY: 1285000 3989.0758 20515.6935 14516.4860 242.4506 -203781.4250 2589.7899 0.0000 0.0000 51848.7276 -110079.2016 297.9754 -161927.9293 -109722.9255 297.3422 23.5163 47.8504 758967.1364 5.9904 5.9604 PRESSURE: 1285200 -214.449 -116.141 -4.84037 -116.141 -419.567 85.5767 -4.83923 85.5763 -396.559 GPRESSURE: 1285200 -214.706 -73.0082 -18.267 -178.777 -379.666 149.494 -14.0732 113.018 -360.073 PRESSAVG: 1285200 9.66766 17.8379 -17.5665 17.8379 -31.4743 18.4729 -17.5664 18.4728 -12.2293 GPRESSAVG: 1285200 8.74634 17.8209 -18.5338 18.408 -30.0004 19.0012 -17.0411 17.5946 -12.4152 TIMING: 1285200 CPU: 4076.97, 0.00321132/step Wall: 4076.97, 0.00321132/step, 3.31372 hours remaining, 238.210938 MB of memory in use. ENERGY: 1285200 4038.6436 20518.2479 14400.6367 245.6883 -203525.0968 2253.5071 0.0000 0.0000 51882.7597 -110185.6134 298.1709 -162068.3731 -109830.2675 297.7747 -343.5247 -318.1485 761181.2890 -11.3453 -11.2231 PRESSURE: 1285400 -280.967 -210.28 -28.2259 -210.28 470.162 49.063 -28.2257 49.0627 424.321 GPRESSURE: 1285400 -127.238 -91.7599 -2.16568 -158.505 367.291 59.5304 83.2951 199.176 462.525 PRESSAVG: 1285400 1.15765 -32.3297 -0.410379 -32.3297 35.8833 -31.4418 -0.410341 -31.4418 -2.34693 GPRESSAVG: 1285400 0.590499 -32.4721 0.551544 -29.8693 34.9595 -31.31 -0.975184 -30.6544 -0.918244 TIMING: 1285400 CPU: 4077.61, 0.00320178/step Wall: 4077.61, 0.00320178/step, 3.3037 hours remaining, 238.210938 MB of memory in use. ENERGY: 1285400 4020.8005 20478.0873 14468.5682 241.0333 -203664.5747 2617.7495 0.0000 0.0000 51758.8156 -110079.5202 297.4586 -161838.3359 -109717.7135 297.6373 204.5052 234.1929 758518.5173 11.5647 11.5439 PRESSURE: 1285600 189.636 23.3278 109.517 23.3277 244.805 139.912 109.515 139.912 -147.691 GPRESSURE: 1285600 217.353 -20.6547 37.8019 -27.0678 307.926 136 28.3267 126.472 -167.248 PRESSAVG: 1285600 -14.9651 -39.2451 -56.4329 -39.2451 14.7915 11.1722 -56.4329 11.1722 -1.30568 GPRESSAVG: 1285600 -14.1309 -40.0488 -57.7282 -38.6697 15.6827 10.4442 -57.5337 10.0134 -3.15493 TIMING: 1285600 CPU: 4078.25, 0.00318709/step Wall: 4078.25, 0.00318709/step, 3.28837 hours remaining, 238.210938 MB of memory in use. ENERGY: 1285600 4023.0367 20478.1976 14460.8901 221.9970 -203563.0475 2640.3379 0.0000 0.0000 51769.8548 -109968.7333 297.5221 -161738.5881 -109605.3962 297.9688 95.5831 119.3437 759288.6021 -0.4931 -0.5344 PRESSURE: 1285800 335.568 -124.919 -32.1671 -124.919 -410.51 78.221 -32.1666 78.2207 -309.847 GPRESSURE: 1285800 281.323 -140.336 -34.3935 -150.145 -357.615 58.8664 14.6277 182.829 -225.064 PRESSAVG: 1285800 -1.957 -23.8397 18.9882 -23.8397 22.0146 -25.7011 18.9882 -25.7011 15.6879 GPRESSAVG: 1285800 -2.89076 -23.057 19.4965 -25.9963 22.8865 -25.3307 20.2428 -26.2267 16.1834 TIMING: 1285800 CPU: 4078.89, 0.00320988/step Wall: 4078.89, 0.00320988/step, 3.31171 hours remaining, 238.210938 MB of memory in use. ENERGY: 1285800 4049.0459 20544.8583 14461.9853 242.8573 -203530.4236 2485.7531 0.0000 0.0000 51815.1047 -109930.8191 297.7821 -161745.9238 -109573.5320 298.1352 -128.2631 -100.4522 760337.0139 11.9152 12.0597 PRESSURE: 1286000 -38.2335 -326.329 -264.973 -326.329 312.047 -40.4974 -264.973 -40.4978 199.476 GPRESSURE: 1286000 31.4056 -257.661 -215.914 -291.486 309.154 55.9145 -238.185 -43.6675 241.602 PRESSAVG: 1286000 9.53773 -46.5998 41.3992 -46.5999 18.9547 11.2204 41.3992 11.2204 16.6539 GPRESSAVG: 1286000 10.9962 -45.5172 41.1562 -46.2295 18.2776 12.1341 38.9139 11.6585 16.2102 TIMING: 1286000 CPU: 4079.53, 0.00320687/step Wall: 4079.53, 0.00320687/step, 3.30842 hours remaining, 238.210938 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: 1286000 3955.6609 20554.4665 14408.7285 271.7160 -203306.3369 2393.8340 0.0000 0.0000 51663.3613 -110058.5698 296.9100 -161721.9310 -109702.9373 297.7041 157.7634 194.0536 760572.9820 15.0488 15.1614 PRESSURE: 1286200 -64.0892 63.2356 -64.0593 63.2371 -492.276 -82.2293 -64.0593 -82.2301 -150.858 GPRESSURE: 1286200 -5.01844 170.585 -61.9476 16.4422 -441.503 -43.593 -115.004 -30.1007 -163.026 PRESSAVG: 1286200 2.19627 -12.2833 -22.5841 -12.2832 -10.8799 47.6861 -22.5841 47.686 11.4072 GPRESSAVG: 1286200 1.77324 -13.3383 -21.2332 -13.1585 -11.4335 47.2607 -23.3041 48.2792 12.3695 TIMING: 1286200 CPU: 4080.17, 0.00320328/step Wall: 4080.17, 0.00320328/step, 3.30453 hours remaining, 238.210938 MB of memory in use. ENERGY: 1286200 4063.2424 20691.7963 14487.4673 240.9098 -203491.3792 2403.6105 0.0000 0.0000 51599.8488 -110004.5042 296.5450 -161604.3529 -109664.0075 297.9275 -235.7408 -203.1826 760314.1155 0.9079 0.9031 PRESSURE: 1286400 -283.588 8.64722 166.755 8.6473 138.959 91.8677 166.755 91.8675 -394.728 GPRESSURE: 1286400 -227.479 21.4879 162.927 15.0264 96.5276 79.9051 266.481 -13.7879 -328.256 PRESSAVG: 1286400 42.2607 -42.6846 -0.36536 -42.6845 -13.2967 46.8914 -0.365421 46.8915 -20.9633 GPRESSAVG: 1286400 41.7795 -42.759 0.807481 -39.6428 -12.1201 47.4174 -0.70074 43.9877 -22.0473 TIMING: 1286400 CPU: 4080.81, 0.00318818/step Wall: 4080.81, 0.00318818/step, 3.28879 hours remaining, 238.210938 MB of memory in use. ENERGY: 1286400 4068.2206 20428.9062 14418.2441 242.3720 -203640.5320 2581.2955 0.0000 0.0000 52116.9836 -109784.5100 299.5170 -161901.4936 -109432.3377 298.5197 -179.7858 -153.0694 760721.2072 2.6669 2.5374 PRESSURE: 1286600 -186.945 -136.066 -55.6882 -136.065 -43.8172 -147.545 -55.6881 -147.546 58.9624 GPRESSURE: 1286600 -165.593 -159.548 -39.7172 -122.996 -18.5861 -199.496 24.1996 -107.527 78.4251 PRESSAVG: 1286600 -2.92143 -10.7703 17.9449 -10.7703 -32.7124 28.4226 17.945 28.4226 -0.635259 GPRESSAVG: 1286600 -2.16445 -12.0233 17.6725 -12.6217 -34.079 27.9136 20.6077 30.2141 -0.420716 TIMING: 1286600 CPU: 4081.45, 0.00319363/step Wall: 4081.45, 0.00319363/step, 3.29423 hours remaining, 238.210938 MB of memory in use. ENERGY: 1286600 3942.9119 20573.5934 14491.4190 259.2580 -203749.0043 2509.4211 0.0000 0.0000 52204.4670 -109767.9339 300.0198 -161972.4009 -109413.2358 299.1310 -57.2667 -35.2513 760241.8007 -12.0897 -12.2214 PRESSURE: 1286800 -240.641 -100.669 -46.4251 -100.669 -322.874 -109.981 -46.4263 -109.981 -558.629 GPRESSURE: 1286800 -145.093 -53.0836 -160.232 -99.523 -345.219 -169.044 -38.1778 1.3904 -520.84 PRESSAVG: 1286800 55.0173 -24.7375 -24.1965 -24.7375 -62.0457 -60.3971 -24.1966 -60.3972 -5.83268 GPRESSAVG: 1286800 55.0226 -22.4368 -26.0952 -24.7352 -62.0972 -59.8825 -23.6065 -59.4536 -5.34307 TIMING: 1286800 CPU: 4082.08, 0.00319596/step Wall: 4082.08, 0.00319596/step, 3.29646 hours remaining, 238.210938 MB of memory in use. ENERGY: 1286800 4003.1202 20432.9797 14464.5874 251.7716 -203317.6055 2364.0161 0.0000 0.0000 51928.4144 -109872.7162 298.4333 -161801.1306 -109495.7502 298.5930 -374.0479 -337.0506 761954.3096 -4.2870 -4.1393 PRESSURE: 1287000 -161.708 129.968 41.7231 129.967 -67.8938 115.577 41.7224 115.577 -297.331 GPRESSURE: 1287000 -82.0857 197.306 72.2601 178.561 -78.806 202.374 39.4216 55.182 -261.753 PRESSAVG: 1287000 13.5663 7.3506 -44.1115 7.35058 -31.9123 1.8804 -44.1115 1.88032 8.94488 GPRESSAVG: 1287000 12.6124 9.10441 -43.3859 6.88067 -31.0682 0.121043 -46.4666 1.53012 9.13817 TIMING: 1287000 CPU: 4082.73, 0.00320511/step Wall: 4082.73, 0.00320511/step, 3.30571 hours remaining, 238.210938 MB of memory in use. ENERGY: 1287000 3984.0012 20672.9974 14404.7383 240.6448 -203426.2699 2435.9250 0.0000 0.0000 52064.9471 -109623.0163 299.2180 -161687.9633 -109258.9098 298.5056 -175.6441 -140.8815 760820.8557 -3.1337 -3.1059 PRESSURE: 1287200 62.0105 -114.475 -35.6594 -114.475 -93.2192 -322.236 -35.6596 -322.236 -206.542 GPRESSURE: 1287200 124.706 11.2743 -137.951 -93.4792 -37.4228 -287.966 12.0364 -209 -219.096 PRESSAVG: 1287200 -16.2692 29.5212 62.2886 29.5211 4.74506 -38.7734 62.2886 -38.7734 -17.2906 GPRESSAVG: 1287200 -15.8051 28.4252 62.7676 29.5391 3.85629 -36.747 61.9278 -38.5345 -17.4728 TIMING: 1287200 CPU: 4083.36, 0.0031943/step Wall: 4083.36, 0.00319431/step, 3.29439 hours remaining, 238.210938 MB of memory in use. ENERGY: 1287200 4053.7467 20551.2031 14485.5689 267.1121 -204067.7018 2856.3137 0.0000 0.0000 52073.7402 -109780.0172 299.2685 -161853.7574 -109426.7469 298.9670 -79.2503 -43.9378 759841.8257 -9.6049 -9.8072 PRESSURE: 1287400 -168.766 -114.932 64.3551 -114.932 -613.99 178.254 64.3549 178.255 -306.83 GPRESSURE: 1287400 -281.995 -176.125 16.329 -169.079 -484.939 38.9611 62.5436 225.926 -253.542 PRESSAVG: 1287400 26.9224 -24.454 48.3275 -24.454 7.9179 29.7002 48.3275 29.7003 15.0792 GPRESSAVG: 1287400 26.2226 -25.0702 47.9671 -24.6989 9.09097 29.5964 48.3271 30.8408 14.4051 TIMING: 1287400 CPU: 4084.01, 0.00321175/step Wall: 4084.01, 0.00321175/step, 3.31221 hours remaining, 238.210938 MB of memory in use. ENERGY: 1287400 4023.0871 20575.4121 14546.3004 238.0852 -203990.9578 2763.0985 0.0000 0.0000 52061.8127 -109783.1618 299.2000 -161844.9745 -109420.6676 299.0335 -363.1951 -340.1588 761424.3267 16.6399 16.5729 PRESSURE: 1287600 18.1437 -39.411 9.41516 -39.4107 134.66 -144.27 9.41505 -144.271 -231.98 GPRESSURE: 1287600 64.5054 -176.477 28.6815 38.8825 89.1573 -81.4956 86.4669 -234.857 -128.472 PRESSAVG: 1287600 18.1908 -13.3712 29.0669 -13.3712 -37.2715 -15.4908 29.067 -15.4908 -12.5987 GPRESSAVG: 1287600 18.4163 -12.9042 28.1183 -11.424 -38.2188 -14.8642 32.6087 -16.7033 -11.5936 TIMING: 1287600 CPU: 4084.65, 0.00321589/step Wall: 4084.65, 0.00321589/step, 3.31629 hours remaining, 238.210938 MB of memory in use. ENERGY: 1287600 4066.6841 20496.9260 14404.7118 241.5927 -203672.9399 2733.2806 0.0000 0.0000 52014.8912 -109714.8536 298.9303 -161729.7448 -109350.1087 298.6849 -26.3922 8.3968 759704.7533 -10.5598 -10.4654 PRESSURE: 1287800 -357.999 215.18 259.307 215.18 -243.312 95.9495 259.307 95.95 -37.8149 GPRESSURE: 1287800 -374.384 234.888 411.305 131.966 -165.511 159.128 80.2522 194.701 -9.93348 PRESSAVG: 1287800 97.7849 42.213 -30.7142 42.2131 -62.2461 -7.21373 -30.7141 -7.21377 -16.4958 GPRESSAVG: 1287800 96.8608 42.1706 -31.3107 39.6253 -61.4726 -8.17529 -33.1768 -7.68053 -16.1383 TIMING: 1287800 CPU: 4085.29, 0.00321998/step Wall: 4085.29, 0.00321998/step, 3.32033 hours remaining, 238.210938 MB of memory in use. ENERGY: 1287800 4017.2258 20585.6358 14505.4194 255.7769 -203219.9980 2153.2362 0.0000 0.0000 52196.4236 -109506.2803 299.9736 -161702.7039 -109135.3358 299.5898 -213.0421 -183.2763 759453.5063 6.3476 6.4166 PRESSURE: 1288000 87.0299 24.1013 -24.2773 24.1015 76.4151 -292.859 -24.2771 -292.86 -190.258 GPRESSURE: 1288000 144.263 23.6358 -18.5549 19.9442 58.2582 -242.308 86.3012 -236.693 -166.093 PRESSAVG: 1288000 18.9014 -1.08727 -6.76029 -1.08731 -7.95479 13.5408 -6.76027 13.5408 9.03966 GPRESSAVG: 1288000 20.5829 -0.721079 -5.65938 0.434206 -8.76625 12.6154 -6.07951 14.777 7.96997 TIMING: 1288000 CPU: 4085.94, 0.00324385/step Wall: 4085.94, 0.00324385/step, 3.34477 hours remaining, 238.210938 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: 1288000 3993.1276 20648.1232 14508.1690 225.0211 -203422.1112 2408.5933 0.0000 0.0000 52089.2560 -109549.8209 299.3577 -161639.0769 -109174.3324 299.2634 -8.9376 12.1426 759180.5476 6.6621 6.5956 PRESSURE: 1288200 -128.649 179.733 37.1589 179.732 13.7488 -51.7187 37.1578 -51.7208 13.1987 GPRESSURE: 1288200 -137.232 196.832 70.1972 134.343 128.227 -35.106 -35.0739 2.07534 -3.88564 PRESSAVG: 1288200 -1.94642 20.1687 44.8019 20.1687 46.7788 -24.2561 44.8018 -24.2562 -29.9825 GPRESSAVG: 1288200 -1.84435 17.9368 44.5583 21.3399 46.6469 -24.7035 46.1314 -26.0715 -29.8526 TIMING: 1288200 CPU: 4086.59, 0.00324499/step Wall: 4086.59, 0.00324499/step, 3.34576 hours remaining, 238.210938 MB of memory in use. ENERGY: 1288200 4023.3149 20537.5566 14479.7814 267.2796 -203566.6691 2573.6285 0.0000 0.0000 52141.7897 -109543.3184 299.6596 -161685.1081 -109178.1976 299.4086 -33.9006 -4.2970 761245.6088 4.9499 4.9833 LDB: ============= START OF LOAD BALANCING ============== 4099.05 LDB: ============== END OF LOAD BALANCING =============== 4099.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4099.05 LDB: ============= START OF LOAD BALANCING ============== 4099.37 LDB: Largest compute 7059 load 0.037102 is 19.0% of average load 0.195209 LDB: Average compute 0.004415 is 2.3% of average load 0.195209 LDB: TIME 4099.37 LOAD: AVG 0.195209 MAX 0.217062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.465 MB LDB: TIME 4099.38 LOAD: AVG 0.195209 MAX 0.217062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: TIME 4099.38 LOAD: AVG 0.195209 MAX 0.217062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: ============== END OF LOAD BALANCING =============== 4099.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4099.38 PRESSURE: 1288400 77.081 115.581 -38.2845 115.581 -204.271 -77.9135 -38.2841 -77.9144 -29.1582 GPRESSURE: 1288400 41.1895 81.5449 -122.554 119.826 -71.8946 -60.9301 -18.7498 -78.4471 -36.0269 PRESSAVG: 1288400 29.6594 -5.47211 15.9652 -5.47205 -6.36247 -13.9085 15.9652 -13.9084 13.2946 GPRESSAVG: 1288400 29.9107 -3.34254 14.3631 -8.34805 -5.52215 -12.4822 16.5064 -15.2053 12.3638 TIMING: 1288400 CPU: 4087.25, 0.00327557/step Wall: 4087.25, 0.00327557/step, 3.37712 hours remaining, 237.382812 MB of memory in use. ENERGY: 1288400 3996.5903 20609.6286 14482.5948 273.6056 -203245.8899 2281.0492 0.0000 0.0000 51899.9076 -109702.5139 298.2695 -161602.4215 -109342.3907 298.6865 -52.1160 -22.2440 759678.4484 12.1972 12.2508 PRESSURE: 1288600 -126.37 62.4357 54.5358 62.435 102.755 142.385 54.5363 142.385 -445.749 GPRESSURE: 1288600 -90.9869 93.1253 -21.3673 83.8561 109.319 129.943 14.7596 135.535 -420.17 PRESSAVG: 1288600 -19.8551 -14.1575 16.3369 -14.1575 24.3873 22.1988 16.3369 22.1988 -4.52719 GPRESSAVG: 1288600 -21.0721 -15.395 17.7988 -13.2537 24.2352 23.1179 15.0002 24.6268 -3.70125 TIMING: 1288600 CPU: 4087.89, 0.00322422/step Wall: 4087.89, 0.00322422/step, 3.32399 hours remaining, 237.382812 MB of memory in use. ENERGY: 1288600 4006.4315 20437.0343 14371.7389 235.3720 -203237.9335 2257.2663 0.0000 0.0000 52047.5093 -109882.5812 299.1178 -161930.0905 -109512.6839 298.3566 -156.4546 -133.9460 759790.2331 0.0017 -0.1794 PRESSURE: 1288800 190.262 -60.5404 168.465 -60.5405 73.2969 -166.066 168.466 -166.066 125.181 GPRESSURE: 1288800 268.602 -80.8465 207.32 -132.213 127.541 -140.099 279.672 -65.1218 84.2169 PRESSAVG: 1288800 -70.3981 -25.9224 -16.2362 -25.9224 -2.13779 -34.1318 -16.2363 -34.1318 -14.9725 GPRESSAVG: 1288800 -70.3173 -26.4823 -16.6851 -26.7933 -2.62893 -34.6438 -17.8371 -36.2211 -14.5663 TIMING: 1288800 CPU: 4088.53, 0.00319478/step Wall: 4088.53, 0.00319478/step, 3.29346 hours remaining, 237.382812 MB of memory in use. ENERGY: 1288800 3964.8157 20484.7791 14466.1330 270.3376 -203488.2038 2754.5168 0.0000 0.0000 51881.8575 -109665.7641 298.1657 -161547.6217 -109304.6716 298.5818 129.5800 160.1200 761148.1865 -29.1694 -29.1708 PRESSURE: 1289000 -40.1572 -15.9268 -133.571 -15.9264 -430.179 -110.338 -133.572 -110.339 -8.69927 GPRESSURE: 1289000 -107.895 -123.418 -180.631 50.6139 -341.466 -124.092 -42.5668 -27.8714 37.4189 PRESSAVG: 1289000 55.826 -13.1685 26.5805 -13.1685 -26.7738 -16.2918 26.5805 -16.2919 14.7351 GPRESSAVG: 1289000 55.876 -11.6761 26.6246 -14.7817 -26.9758 -16.6007 27.4584 -13.1583 14.7589 TIMING: 1289000 CPU: 4089.17, 0.0032159/step Wall: 4089.17, 0.0032159/step, 3.31506 hours remaining, 237.382812 MB of memory in use. ENERGY: 1289000 3982.5749 20525.1055 14440.2470 256.8305 -203703.0742 2565.4325 0.0000 0.0000 52089.9294 -109842.9544 299.3615 -161932.8838 -109480.0668 298.5070 -159.6786 -137.3140 761048.4384 14.5958 14.5530 PRESSURE: 1289200 -326.087 -106.152 3.72304 -106.153 -163.708 159.237 3.72268 159.236 -54.6505 GPRESSURE: 1289200 -216.826 74.3363 25.2198 -181.397 -189.381 132.608 -46.5056 21.3587 -54.7911 PRESSAVG: 1289200 47.7082 0.0698467 -3.97867 0.0698525 -25.9495 -40.1999 -3.97873 -40.1998 -14.2691 GPRESSAVG: 1289200 47.8481 -0.670124 -5.17495 3.75415 -26.0358 -41.5374 -3.16928 -39.7137 -14.427 TIMING: 1289200 CPU: 4089.82, 0.00321362/step Wall: 4089.82, 0.00321362/step, 3.31253 hours remaining, 237.382812 MB of memory in use. ENERGY: 1289200 4106.1429 20459.3645 14369.6958 242.8801 -203251.3413 2258.1958 0.0000 0.0000 52101.5520 -109713.5102 299.4283 -161815.0622 -109347.0478 298.7831 -181.4817 -153.6660 762440.1231 2.4965 2.4618 PRESSURE: 1289400 -92.3116 6.09448 -109.845 6.09543 -118.803 73.9754 -109.845 73.9747 121.117 GPRESSURE: 1289400 -91.552 143.538 -22.9431 -44.0743 -75.2972 94.8333 -178.847 204.95 147.896 PRESSAVG: 1289400 44.2637 51.6657 2.76596 51.6658 3.26476 35.0882 2.76597 35.0882 -9.05691 GPRESSAVG: 1289400 44.4244 53.9174 5.27703 49.3471 3.502 35.1267 0.321637 32.4775 -8.91481 TIMING: 1289400 CPU: 4090.46, 0.00321806/step Wall: 4090.46, 0.00321806/step, 3.31693 hours remaining, 237.382812 MB of memory in use. ENERGY: 1289400 3998.1742 20524.1731 14544.3798 238.7882 -203631.0950 2564.7924 0.0000 0.0000 52083.5155 -109677.2718 299.3247 -161760.7873 -109302.6519 298.9344 -29.9991 -6.3177 760850.5762 12.8238 13.0039 PRESSURE: 1289600 -101.635 50.3422 78.2225 50.3418 -210.249 -103.406 78.2227 -103.407 12.3624 GPRESSURE: 1289600 -120.496 -8.75792 7.77198 87.4392 -81.2254 -49.8843 149.303 -143.149 -28.3027 PRESSAVG: 1289600 26.3924 -18.7008 -2.56425 -18.7008 -46.304 8.53457 -2.56428 8.53457 -3.65327 GPRESSAVG: 1289600 25.9893 -21.5862 -3.45236 -16.6453 -46.8238 11.5671 -0.831176 7.92395 -3.08228 TIMING: 1289600 CPU: 4091.1, 0.00320546/step Wall: 4091.1, 0.00320546/step, 3.30376 hours remaining, 237.382812 MB of memory in use. ENERGY: 1289600 4029.3714 20635.0457 14430.6708 253.8392 -203475.7467 2590.0928 0.0000 0.0000 52066.0790 -109470.6478 299.2245 -161536.7267 -109115.7224 299.4114 -99.8407 -76.6746 759964.4415 -7.8550 -7.9723 PRESSURE: 1289800 -178.699 -132.954 -27.6511 -132.954 -362.774 -41.3729 -27.6512 -41.3716 -11.4363 GPRESSURE: 1289800 -54.1794 -266.232 -3.44832 -81.1942 -374.255 -112.874 129.396 25.0704 -32.2079 PRESSAVG: 1289800 53.1202 3.84235 -24.5499 3.84232 -60.378 8.68116 -24.55 8.68118 26.6998 GPRESSAVG: 1289800 52.3342 3.7907 -24.6623 3.32347 -58.8301 5.17117 -22.2579 10.0156 25.7713 TIMING: 1289800 CPU: 4091.75, 0.00321895/step Wall: 4091.75, 0.00321895/step, 3.31749 hours remaining, 237.382812 MB of memory in use. ENERGY: 1289800 4043.1405 20484.6190 14426.4994 234.9666 -202992.6984 2236.6047 0.0000 0.0000 52113.2534 -109453.6149 299.4956 -161566.8683 -109083.0043 299.3962 -184.3030 -153.5475 761079.0639 6.4806 6.4251 PRESSURE: 1290000 117.066 107.269 148.747 107.269 -232.874 13.3792 148.747 13.3795 -481.618 GPRESSURE: 1290000 105.378 42.0021 79.1556 185.903 -193.11 92.6179 127.175 139.568 -422.831 PRESSAVG: 1290000 48.8152 -49.0176 -21.9454 -49.0176 -33.8695 31.412 -21.9454 31.412 1.10321 GPRESSAVG: 1290000 49.9174 -47.9443 -21.4808 -49.7919 -35.1708 34.3198 -24.0859 31.132 1.51535 TIMING: 1290000 CPU: 4092.39, 0.00322588/step Wall: 4092.39, 0.00322588/step, 3.32444 hours remaining, 237.382812 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: 1290000 4081.3046 20559.6032 14486.0957 239.5214 -203480.7669 2610.6528 0.0000 0.0000 52129.8037 -109373.7855 299.5907 -161503.5891 -109010.7217 299.4914 -199.1419 -170.1877 761066.0053 5.3496 5.4206 PRESSURE: 1290200 158.878 -174.391 -371 -174.391 34.0881 176.494 -371 176.495 -107.295 GPRESSURE: 1290200 111.035 -185.322 -315.539 -194.653 128.655 99.5786 -325.204 120.586 -91.4135 PRESSAVG: 1290200 -20.2033 -4.75569 -27.0637 -4.75569 20.8365 1.14301 -27.0638 1.1429 4.9498 GPRESSAVG: 1290200 -21.758 -4.93583 -27.3614 -2.2919 21.7671 -0.0717285 -28.5136 4.43965 5.74588 TIMING: 1290200 CPU: 4093.03, 0.00319991/step Wall: 4093.03, 0.00319991/step, 3.29751 hours remaining, 237.382812 MB of memory in use. ENERGY: 1290200 3995.2213 20700.8776 14515.1867 239.6981 -203221.3003 2604.0583 0.0000 0.0000 51960.5153 -109205.7430 298.6178 -161166.2583 -108852.5214 299.7381 28.5570 49.4256 762571.9387 1.8610 1.9183 PRESSURE: 1290400 167.938 -206.471 13.4864 -206.471 72.1526 168.878 13.4861 168.877 19.7028 GPRESSURE: 1290400 237.825 -154.916 18.3311 -248.348 49.4119 89.5027 -56.2335 45.8534 44.3547 PRESSAVG: 1290400 -4.61066 -13.6824 -22.8398 -13.6824 -39.344 12.6016 -22.8398 12.6015 -18.1802 GPRESSAVG: 1290400 -4.0778 -14.2943 -23.8803 -14.9916 -39.3196 11.7556 -21.5629 10.7335 -18.237 TIMING: 1290400 CPU: 4093.67, 0.00321263/step Wall: 4093.67, 0.00321263/step, 3.31044 hours remaining, 237.382812 MB of memory in use. ENERGY: 1290400 3993.4335 20596.8010 14472.8192 235.9595 -203021.0270 2383.5583 0.0000 0.0000 52016.3860 -109322.0695 298.9389 -161338.4555 -108958.6171 299.9250 86.5978 110.5306 763619.9708 -20.7116 -20.5448 PRESSURE: 1290600 -80.4264 45.1053 141.075 45.1057 287.817 33.0989 141.074 33.0997 289.146 GPRESSURE: 1290600 -75.3848 158.211 44.4136 -16.4176 331.998 40.7142 -17.0929 93.091 321.213 PRESSAVG: 1290600 -18.6353 18.7982 -12.8023 18.7983 -2.15514 32.2686 -12.8023 32.2687 -0.563918 GPRESSAVG: 1290600 -19.14 19.8311 -12.7238 18.4147 -2.12224 33.2496 -13.6406 31.1982 0.00500482 TIMING: 1290600 CPU: 4094.32, 0.00321979/step Wall: 4094.32, 0.00321979/step, 3.31764 hours remaining, 237.382812 MB of memory in use. ENERGY: 1290600 4021.3939 20529.2535 14428.4557 251.6619 -203127.7120 2617.3047 0.0000 0.0000 51924.8610 -109354.7814 298.4129 -161279.6424 -109004.8320 299.2656 165.5123 192.6087 761652.8092 -7.1181 -7.0858 PRESSURE: 1290800 343.219 -80.1372 -57.495 -80.1369 202.015 -56.2059 -57.4953 -56.2073 452.47 GPRESSURE: 1290800 361.144 -174.122 27.0609 -11.2647 273.476 40.7533 82.386 -133.737 436.328 PRESSAVG: 1290800 -51.6982 -11.1871 8.49605 -11.187 37.2006 -3.61581 8.49603 -3.61581 12.2027 GPRESSAVG: 1290800 -51.2489 -12.0994 8.30292 -11.1443 36.9188 -3.84485 10.1021 0.706378 11.6567 TIMING: 1290800 CPU: 4094.96, 0.00321607/step Wall: 4094.96, 0.00321607/step, 3.31363 hours remaining, 237.382812 MB of memory in use. ENERGY: 1290800 3994.3481 20648.3508 14429.9671 247.9232 -203709.3727 2772.0333 0.0000 0.0000 52080.8777 -109535.8726 299.3095 -161616.7503 -109182.6109 299.4153 332.5680 356.9825 761118.0705 -0.7650 -0.8911 PRESSURE: 1291000 -192.889 -97.005 -51.4183 -97.0054 -193.552 311.785 -51.4182 311.783 -224.929 GPRESSURE: 1291000 -86.5325 -5.89995 -122.44 -180.784 -213.859 308.451 -15.3642 193.742 -233.931 PRESSAVG: 1291000 -27.3916 6.30854 28.1992 6.30859 40.8953 -33.4035 28.1992 -33.4035 42.0027 GPRESSAVG: 1291000 -26.3694 7.83523 27.849 6.43043 40.4722 -33.3666 27.5816 -40.064 41.8493 TIMING: 1291000 CPU: 4095.6, 0.00319993/step Wall: 4095.6, 0.00319993/step, 3.29682 hours remaining, 237.382812 MB of memory in use. ENERGY: 1291000 4020.6283 20611.4552 14485.5926 264.7731 -203639.0552 2625.6758 0.0000 0.0000 52041.4619 -109589.4684 299.0830 -161630.9302 -109236.8384 298.9147 -203.7900 -178.1076 762047.9294 18.5021 18.6507 PRESSURE: 1291200 1.42249 -105.423 439.803 -105.424 -101.817 132.314 439.802 132.314 -26.2661 GPRESSURE: 1291200 66.4171 81.3614 440.217 -136.871 -91.6852 124.31 369.055 128.958 -14.6228 PRESSAVG: 1291200 -56.9667 -17.5894 25.1453 -17.5894 46.9782 -2.62422 25.1454 -2.62425 -15.1386 GPRESSAVG: 1291200 -57.2279 -18.568 25.765 -20.1404 46.7367 -2.91329 25.869 0.842411 -14.2045 TIMING: 1291200 CPU: 4096.24, 0.00321433/step Wall: 4096.24, 0.00321433/step, 3.31148 hours remaining, 237.382812 MB of memory in use. ENERGY: 1291200 4054.8033 20546.5353 14353.9833 238.9287 -203195.0861 2485.9440 0.0000 0.0000 52014.1038 -109500.7877 298.9258 -161514.8915 -109129.5933 298.8659 -42.2201 -13.2970 762503.4229 -8.3757 -8.2319 PRESSURE: 1291400 -45.07 -222.77 -284.663 -222.77 57.4152 13.0664 -284.664 13.0666 -7.8982 GPRESSURE: 1291400 -57.5285 -184.45 -335.415 -139.651 -3.00324 93.1968 -269.677 49.0559 142.107 PRESSAVG: 1291400 -34.4806 -54.0294 3.88874 -54.0294 35.6016 61.7754 3.88863 61.7753 -4.91164 GPRESSAVG: 1291400 -35.9537 -53.6594 4.46294 -49.7175 36.1013 61.2726 2.98361 61.8694 -3.70918 TIMING: 1291400 CPU: 4096.89, 0.00322968/step Wall: 4096.89, 0.00322968/step, 3.32711 hours remaining, 237.382812 MB of memory in use. ENERGY: 1291400 3940.4619 20706.0291 14432.1968 232.3130 -203173.2214 2329.0148 0.0000 0.0000 51883.2404 -109649.9653 298.1737 -161533.2057 -109294.9659 298.7364 1.4823 27.1916 760896.8143 -1.2635 -1.1872 PRESSURE: 1291600 79.976 -179.626 -56.7702 -179.626 -171.496 39.9731 -56.7703 39.9735 -96.3822 GPRESSURE: 1291600 176.503 -325.27 -84.9718 -227.002 -181.702 76.4882 -81.8075 -12.006 -102.434 PRESSAVG: 1291600 30.7271 -27.7223 -29.7965 -27.7223 -31.326 9.87813 -29.7964 9.87812 -9.17921 GPRESSAVG: 1291600 31.5983 -26.687 -30.1404 -30.2398 -31.3616 10.8742 -31.0432 9.71549 -9.88575 TIMING: 1291600 CPU: 4097.54, 0.00323188/step Wall: 4097.54, 0.00323188/step, 3.3292 hours remaining, 237.382812 MB of memory in use. ENERGY: 1291600 3997.1160 20602.6030 14370.1685 239.2722 -203342.4507 2567.9312 0.0000 0.0000 51828.7109 -109736.6488 297.8603 -161565.3597 -109374.1230 298.5197 -62.6341 -35.8774 762640.5042 -3.2594 -3.2164 PRESSURE: 1291800 -149.425 51.8622 216.379 51.8629 -38.3763 -201.149 216.379 -201.15 -340.239 GPRESSURE: 1291800 -51.6301 42.6517 220.503 172.367 -88.0712 -315.312 283.609 -67.009 -313.315 PRESSAVG: 1291800 32.9644 -7.78922 30.2173 -7.7892 -21.182 -10.8419 30.2173 -10.8419 -22.5999 GPRESSAVG: 1291800 35.0925 -8.91592 29.5918 -8.64419 -22.5712 -10.9351 31.6759 -11.4895 -23.8027 TIMING: 1291800 CPU: 4098.18, 0.00322113/step Wall: 4098.18, 0.00322113/step, 3.31794 hours remaining, 237.382812 MB of memory in use. ENERGY: 1291800 3994.4395 20617.7804 14405.3900 239.6954 -203761.7765 2851.2642 0.0000 0.0000 51959.7950 -109693.4119 298.6137 -161653.2069 -109340.4226 298.5284 -176.0135 -151.0056 763496.0205 -3.6059 -3.7605 PRESSURE: 1292000 112.498 182.059 -39.2693 182.059 60.3817 125.439 -39.2682 125.439 526.142 GPRESSURE: 1292000 171.922 325.235 -44.3794 43.6022 135.079 46.9074 -32.7651 34.0547 467.327 PRESSAVG: 1292000 -19.2129 11.4567 5.04433 11.4567 -20.9649 26.4398 5.04439 26.4397 30.257 GPRESSAVG: 1292000 -20.3884 13.4595 5.235 12.0662 -21.134 26.0544 3.93718 26.9327 31.1476 TIMING: 1292000 CPU: 4098.83, 0.00323512/step Wall: 4098.83, 0.00323512/step, 3.33217 hours remaining, 237.382812 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: 1292000 3933.6662 20647.6261 14354.7804 256.4680 -203773.1918 2955.5919 0.0000 0.0000 52034.6757 -109590.3835 299.0440 -161625.0592 -109229.2543 298.8936 233.0071 258.1096 762287.8772 -3.3069 -3.4583 PRESSURE: 1292200 -253.165 -35.1778 -72.4499 -35.178 -233.928 223.499 -72.4504 223.498 3.40487 GPRESSURE: 1292200 -201.852 -18.5975 -156.453 10.6506 -190.092 118.798 -115.604 173.14 3.37533 PRESSAVG: 1292200 -30.0564 23.4705 21.1711 23.4706 40.4207 11.1908 21.1711 11.1909 -15.8402 GPRESSAVG: 1292200 -30.647 21.6006 22.2136 24.1632 41.1935 11.9057 21.7739 10.829 -16.1273 TIMING: 1292200 CPU: 4099.48, 0.00325348/step Wall: 4099.48, 0.00325348/step, 3.3509 hours remaining, 237.382812 MB of memory in use. ENERGY: 1292200 3955.4659 20482.1486 14446.4281 233.2933 -202791.2899 2075.6832 0.0000 0.0000 52153.2300 -109445.0408 299.7253 -161598.2707 -109067.2536 299.3692 -161.2292 -129.5229 763474.9914 -1.8253 -1.8603 LDB: ============= START OF LOAD BALANCING ============== 4111.94 LDB: ============== END OF LOAD BALANCING =============== 4111.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4111.94 LDB: ============= START OF LOAD BALANCING ============== 4112.27 LDB: Largest compute 7059 load 0.037793 is 19.4% of average load 0.195106 LDB: Average compute 0.004432 is 2.3% of average load 0.195106 LDB: TIME 4112.27 LOAD: AVG 0.195106 MAX 0.215314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 4112.27 LOAD: AVG 0.195106 MAX 0.215314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.961 MB LDB: TIME 4112.27 LOAD: AVG 0.195106 MAX 0.215314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.961 MB LDB: ============== END OF LOAD BALANCING =============== 4112.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4112.28 PRESSURE: 1292400 91.049 156.313 268.922 156.313 -152.876 -135.921 268.922 -135.921 -229.727 GPRESSURE: 1292400 117.492 135.71 181.794 47.5607 -98.7551 -183.658 166.8 -3.01517 -215.721 PRESSAVG: 1292400 9.812 -40.5624 43.9767 -40.5624 8.21657 30.3956 43.9767 30.3956 -24.0571 GPRESSAVG: 1292400 9.722 -40.0007 41.3693 -40.2035 9.01669 27.506 46.7959 31.6519 -24.5888 TIMING: 1292400 CPU: 4100.14, 0.00331491/step Wall: 4100.14, 0.00331491/step, 3.41399 hours remaining, 238.664062 MB of memory in use. ENERGY: 1292400 3979.4996 20461.1921 14426.6431 256.8678 -203376.5742 2560.8314 0.0000 0.0000 52079.3947 -109612.1456 299.3010 -161691.5403 -109247.0829 298.7874 -97.1846 -65.6614 763266.1483 -2.0095 -1.9500 PRESSURE: 1292600 -202.202 138.356 34.5728 138.355 415.109 -57.1823 34.5734 -57.1815 27.5492 GPRESSURE: 1292600 -156.056 -37.4298 -17.4826 50.6502 408.966 8.75009 -23.2207 -160.352 77.8902 PRESSAVG: 1292600 -30.941 -34.7184 11.7498 -34.7185 6.60724 -26.8225 11.7498 -26.8225 29.9441 GPRESSAVG: 1292600 -30.04 -35.3169 14.0272 -34.5292 4.48116 -24.1297 7.30871 -29.0984 31.4696 TIMING: 1292600 CPU: 4100.79, 0.0032328/step Wall: 4100.79, 0.0032328/step, 3.32925 hours remaining, 238.867188 MB of memory in use. ENERGY: 1292600 3989.6569 20505.0116 14402.3272 245.7618 -203474.3381 2657.9503 0.0000 0.0000 52064.5429 -109609.0874 299.2156 -161673.6304 -109259.7414 298.7412 80.1522 110.2666 761431.0707 1.8701 1.9702 PRESSURE: 1292800 -42.2552 -18.5589 40.1648 -18.5595 -438.218 42.4889 40.1641 42.4885 -21.2904 GPRESSURE: 1292800 -86.8239 4.93049 50.5062 -7.84145 -314.742 16.6256 -12.5861 64.5144 4.87755 PRESSAVG: 1292800 -4.72134 -9.93042 -49.4848 -9.93039 24.684 -9.99572 -49.4848 -9.99578 -11.5969 GPRESSAVG: 1292800 -3.58191 -9.98338 -48.8897 -10.8867 25.7333 -9.53342 -47.0719 -10.1905 -13.0878 TIMING: 1292800 CPU: 4101.43, 0.00322771/step Wall: 4101.43, 0.00322771/step, 3.32382 hours remaining, 238.867188 MB of memory in use. ENERGY: 1292800 3954.9639 20581.6695 14477.5943 255.0126 -203380.5250 2692.8819 0.0000 0.0000 51865.4890 -109552.9137 298.0717 -161418.4028 -109188.4002 299.5574 -167.2544 -132.2296 761525.5954 2.7886 3.0212 PRESSURE: 1293000 305.298 -144.437 133.992 -144.437 -78.8616 -75.2392 133.992 -75.2395 297.023 GPRESSURE: 1293000 359.503 -102.789 199.898 -182.506 -87.4546 3.83974 143.152 -98.2153 330.383 PRESSAVG: 1293000 -5.20416 -46.1734 7.99529 -46.1734 21.2276 42.781 7.99527 42.7809 18.3477 GPRESSAVG: 1293000 -5.51319 -45.5796 6.32385 -46.0679 21.0637 42.3113 8.00218 43.9673 18.7444 TIMING: 1293000 CPU: 4102.07, 0.00320349/step Wall: 4102.07, 0.00320349/step, 3.29871 hours remaining, 238.867188 MB of memory in use. ENERGY: 1293000 3959.0344 20529.4605 14441.1785 246.4986 -204214.1391 3198.2792 0.0000 0.0000 52264.1110 -109575.5768 300.3626 -161839.6878 -109217.2373 299.4645 174.4864 200.8106 761404.8878 11.4570 11.4316 PRESSURE: 1293200 49.7498 -65.0781 -90.6121 -65.0775 599.447 -80.05 -90.6122 -80.0497 -100.389 GPRESSURE: 1293200 106.011 -34.2987 -28.4561 -24.398 578.243 -178.432 -54.0853 7.91076 -33.2898 PRESSAVG: 1293200 27.5562 -58.7247 6.21855 -58.7246 24.4244 -21.2175 6.21854 -21.2175 3.0797 GPRESSAVG: 1293200 27.3609 -59.2529 8.16744 -58.0873 23.6514 -21.5127 6.06474 -19.4065 3.56669 TIMING: 1293200 CPU: 4102.71, 0.00319504/step Wall: 4102.71, 0.00319504/step, 3.28983 hours remaining, 238.867188 MB of memory in use. ENERGY: 1293200 3973.7605 20497.9433 14483.8474 261.8331 -203695.7396 2828.3468 0.0000 0.0000 52283.0910 -109366.9176 300.4716 -161650.0086 -108996.0565 299.5047 182.9359 216.9879 760885.3169 18.3534 18.1930 PRESSURE: 1293400 103.118 -58.8979 -68.9296 -58.8977 63.9188 217.645 -68.9293 217.644 -474.516 GPRESSURE: 1293400 69.8664 11.6098 -2.30487 -50.0187 46.5417 213.879 -133.712 276.946 -350.741 PRESSAVG: 1293400 22.7712 -49.503 -25.3973 -49.503 0.271917 -47.2052 -25.3973 -47.2052 13.7213 GPRESSAVG: 1293400 22.1836 -50.7125 -25.7132 -48.2398 1.3903 -44.9256 -25.382 -50.1299 13.2822 TIMING: 1293400 CPU: 4103.36, 0.00322199/step Wall: 4103.36, 0.00322199/step, 3.3174 hours remaining, 238.867188 MB of memory in use. ENERGY: 1293400 3938.7809 20611.9852 14446.7533 247.0063 -203300.0557 2297.9101 0.0000 0.0000 52301.0191 -109456.6009 300.5747 -161757.6200 -109090.2522 299.9890 -102.4930 -78.1110 760637.3727 12.2548 12.2853 PRESSURE: 1293600 463.538 33.0711 -61.5061 33.0699 92.5476 412.137 -61.5062 412.137 109.968 GPRESSURE: 1293600 469.628 11.1505 120.427 117.493 127.008 390.099 -118.969 369.369 144.024 PRESSAVG: 1293600 21.0899 -17.9257 -22.7058 -17.9257 25.9854 27.6997 -22.7058 27.6996 -2.73234 GPRESSAVG: 1293600 21.0339 -17.8328 -21.5486 -17.7597 25.4427 25.5584 -23.4395 27.3971 -2.42354 TIMING: 1293600 CPU: 4104, 0.00322918/step Wall: 4104, 0.00322918/step, 3.32462 hours remaining, 238.867188 MB of memory in use. ENERGY: 1293600 3992.1793 20599.7817 14398.8402 233.1221 -203310.9429 2641.4094 0.0000 0.0000 52201.8446 -109243.7656 300.0047 -161445.6102 -108880.8037 300.1469 222.0180 246.8869 761930.8637 14.7810 14.6844 PRESSURE: 1293800 -438.73 -3.01646 147.012 -3.0162 -306.588 -119.388 147.012 -119.387 -527.373 GPRESSURE: 1293800 -489.489 109.763 123.959 38.7409 -295.834 -143.533 144.256 -149.761 -414.084 PRESSAVG: 1293800 69.4647 28.2575 27.8093 28.2575 -75.7629 -47.4105 27.8094 -47.4104 7.27881 GPRESSAVG: 1293800 69.4807 28.2813 25.5628 27.6072 -75.8088 -46.636 29.3969 -45.2141 6.91828 TIMING: 1293800 CPU: 4104.65, 0.0032295/step Wall: 4104.65, 0.0032295/step, 3.32477 hours remaining, 238.867188 MB of memory in use. ENERGY: 1293800 4016.0291 20651.9874 14461.5186 248.3408 -202960.6226 1949.4482 0.0000 0.0000 52129.7495 -109503.5489 299.5904 -161633.2984 -109138.2201 299.2018 -424.2300 -399.8023 762627.1977 0.3269 0.1967 PRESSURE: 1294000 78.304 -77.8686 -233.155 -77.8699 -150.645 160.13 -233.157 160.131 -22.9417 GPRESSURE: 1294000 127.489 1.56313 -265.435 -61.8742 -166.13 173.224 -115.804 107.986 12.1401 PRESSAVG: 1294000 10.1987 35.5306 12.967 35.5306 -34.9868 20.3604 12.967 20.3604 8.5307 GPRESSAVG: 1294000 9.89396 36.5107 12.9845 33.9616 -36.4422 19.0563 13.2304 18.6659 10.0777 TIMING: 1294000 CPU: 4105.29, 0.00320717/step Wall: 4105.29, 0.00320717/step, 3.3016 hours remaining, 238.867188 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: 1294000 4018.6078 20508.6420 14473.5143 255.3315 -202897.6755 2209.8016 0.0000 0.0000 52034.3324 -109397.4458 299.0420 -161431.7782 -109031.5086 299.1355 -31.7610 -8.8335 761429.2232 -5.4191 -5.4902 PRESSURE: 1294200 232.02 44.7145 -29.9188 44.7153 81.7348 -202.787 -29.9189 -202.786 -59.5315 GPRESSURE: 1294200 249.615 2.98045 72.0945 118.386 107.019 -204.204 -111.437 -99.9588 -15.8397 PRESSAVG: 1294200 22.305 -27.231 12.1841 -27.2309 -16.3594 46.7933 12.1841 46.7932 1.61754 GPRESSAVG: 1294200 22.9597 -27.3378 13.4106 -26.5014 -15.6439 48.6392 10.9576 46.1779 -0.39252 TIMING: 1294200 CPU: 4105.93, 0.0032227/step Wall: 4105.93, 0.0032227/step, 3.31742 hours remaining, 238.867188 MB of memory in use. ENERGY: 1294200 4085.1604 20490.2214 14446.9291 243.1704 -203282.1605 2375.3232 0.0000 0.0000 52055.6026 -109585.7535 299.1643 -161641.3560 -109225.1319 299.2422 84.7412 113.5982 760813.0875 2.5211 2.3078 PRESSURE: 1294400 -62.2132 16.5589 70.1435 16.559 -102.382 192.213 70.143 192.213 -576.395 GPRESSURE: 1294400 -112.247 -74.4863 155.314 -34.1139 -40.7914 95.2376 43.2524 109.554 -496.974 PRESSAVG: 1294400 36.1816 29.2913 4.56557 29.2912 5.35166 75.5515 4.56561 75.5514 4.00506 GPRESSAVG: 1294400 34.5056 27.9458 4.60284 28.5955 4.97466 74.5576 2.85893 77.4428 5.55759 TIMING: 1294400 CPU: 4106.59, 0.00327778/step Wall: 4106.59, 0.00327778/step, 3.37392 hours remaining, 238.867188 MB of memory in use. ENERGY: 1294400 4048.3889 20618.4016 14441.5502 252.7341 -203100.8834 2413.7312 0.0000 0.0000 51840.5921 -109485.4853 297.9286 -161326.0774 -109123.5810 298.9364 -246.9967 -216.6707 760443.4530 15.1794 15.0126 PRESSURE: 1294600 -225.371 -68.3875 -13.518 -68.3868 -34.8973 -17.1591 -13.519 -17.1606 -369.882 GPRESSURE: 1294600 -148.886 -103.944 -33.1028 15.2969 -29.5507 -17.442 6.91341 -54.9382 -348.204 PRESSAVG: 1294600 1.111 -6.6492 -2.16571 -6.64921 -36.6089 0.705336 -2.16567 0.705339 4.50379 GPRESSAVG: 1294600 0.901599 -7.22152 -2.89322 -3.87398 -35.7596 1.16131 -0.583902 0.55068 3.64841 TIMING: 1294600 CPU: 4107.24, 0.00325344/step Wall: 4107.24, 0.00325344/step, 3.34869 hours remaining, 238.867188 MB of memory in use. ENERGY: 1294600 3964.2493 20750.6590 14406.0842 250.0529 -203148.7406 2280.7614 0.0000 0.0000 52012.4820 -109484.4518 298.9164 -161496.9338 -109125.4847 299.3379 -210.0501 -175.5467 761972.2304 -10.3314 -10.4032 PRESSURE: 1294800 -20.0162 149.553 -101.531 149.553 170.602 -78.5807 -101.53 -78.5792 -189.37 GPRESSURE: 1294800 66.1963 89.7131 -171.078 9.89959 18.0652 15.0551 -214.842 -60.4979 -31.8828 PRESSAVG: 1294800 69.4209 -7.7031 7.25606 -7.70315 -100.261 31.3039 7.25605 31.3038 2.17691 GPRESSAVG: 1294800 70.5763 -5.18825 7.70481 -8.99894 -100.662 31.6573 6.08986 32.4187 1.08457 TIMING: 1294800 CPU: 4107.88, 0.00321821/step Wall: 4107.88, 0.00321821/step, 3.31225 hours remaining, 238.867188 MB of memory in use. ENERGY: 1294800 3974.8646 20694.5936 14320.4995 266.8580 -202960.8863 2357.8941 0.0000 0.0000 51803.9201 -109542.2564 297.7178 -161346.1765 -109164.1732 298.7632 -12.9280 17.4596 761450.7988 -9.5544 -9.6671 PRESSURE: 1295000 -61.5989 -91.8526 92.5845 -91.8521 -40.278 173.916 92.5853 173.917 106.689 GPRESSURE: 1295000 0.790693 -15.1665 114.924 -118.548 -47.1987 135.526 171.989 171.575 145.297 PRESSAVG: 1295000 16.8185 12.0941 13.6279 12.0941 22.9497 18.8108 13.6279 18.8108 10.321 GPRESSAVG: 1295000 15.4449 10.0744 12.64 11.4229 23.5234 17.6128 12.7472 18.3475 11.3097 TIMING: 1295000 CPU: 4108.52, 0.00320182/step Wall: 4108.52, 0.00320182/step, 3.29521 hours remaining, 238.867188 MB of memory in use. ENERGY: 1295000 4011.7093 20578.1792 14414.3791 237.5562 -203598.5195 2751.7161 0.0000 0.0000 52122.8613 -109482.1184 299.5508 -161604.9797 -109106.3189 299.5024 1.6041 32.9631 763296.8078 16.6964 16.7593 PRESSURE: 1295200 -205.421 -5.27502 -69.6322 -5.27466 -197.81 -126.658 -69.6327 -126.658 -105.412 GPRESSURE: 1295200 -234.011 -2.46399 -79.5214 -76.5406 -117.889 -141.308 -104.716 -100.886 -75.6768 PRESSAVG: 1295200 -37.9048 3.09386 12.6272 3.09383 11.6501 68.9217 12.6271 68.9217 -8.75467 GPRESSAVG: 1295200 -37.4931 4.49443 13.0243 2.9054 11.7172 70.4966 13.8037 68.6029 -9.09523 TIMING: 1295200 CPU: 4109.17, 0.0032365/step Wall: 4109.17, 0.0032365/step, 3.33072 hours remaining, 238.867188 MB of memory in use. ENERGY: 1295200 3958.1783 20716.3730 14419.1314 263.6639 -203045.5599 2164.7695 0.0000 0.0000 52155.9448 -109367.4992 299.7409 -161523.4439 -109003.2074 298.5561 -169.5475 -142.5256 763112.4801 -11.6698 -11.6237 PRESSURE: 1295400 7.18486 -138.285 -208.194 -138.284 -6.40088 94.8297 -208.193 94.8309 -10.1062 GPRESSURE: 1295400 32.5808 -99.5797 -136.462 -252.917 -9.09434 23.8162 -205.294 173.667 46.2726 PRESSAVG: 1295400 -40.412 31.9974 -63.4299 31.9973 29.6866 25.5051 -63.4298 25.5051 -3.30505 GPRESSAVG: 1295400 -40.0627 32.5027 -63.8491 33.9025 29.5415 23.8095 -63.4131 27.6455 -3.25123 TIMING: 1295400 CPU: 4109.82, 0.00324956/step Wall: 4109.82, 0.00324956/step, 3.34397 hours remaining, 238.867188 MB of memory in use. ENERGY: 1295400 3910.6378 20820.1845 14336.4519 243.9640 -203615.6556 2712.5308 0.0000 0.0000 51956.9164 -109634.9702 298.5971 -161591.8866 -109277.5956 299.2337 -3.1074 23.2530 760983.5772 -4.6768 -4.5908 PRESSURE: 1295600 -249.497 -24.4951 73.2699 -24.4956 221.403 33.4335 73.2701 33.4333 196.806 GPRESSURE: 1295600 -179.533 -31.5758 20.7783 -65.7101 157.421 31.2842 20.8668 218.292 275.299 PRESSAVG: 1295600 53.2925 11.1193 10.8472 11.1194 -35.6716 24.8907 10.8472 24.8907 1.90774 GPRESSAVG: 1295600 52.0724 11.9768 12.2745 9.26816 -35.1529 24.9451 11.8207 23.3394 2.92154 TIMING: 1295600 CPU: 4110.47, 0.00323853/step Wall: 4110.47, 0.00323853/step, 3.33245 hours remaining, 238.867188 MB of memory in use. ENERGY: 1295600 4005.3330 20551.6949 14412.1643 242.5587 -203497.5873 2568.0694 0.0000 0.0000 52191.0506 -109526.7164 299.9427 -161717.7670 -109157.8847 299.4769 56.2372 84.3956 762194.7001 6.5096 6.6137 PRESSURE: 1295800 -143.562 80.5437 97.1866 80.5445 -57.266 113.474 97.1877 113.475 169.366 GPRESSURE: 1295800 14.3747 84.1083 75.2991 -37.2776 -31.694 120.956 139.156 128.118 64.8815 PRESSAVG: 1295800 -0.615973 -62.1539 52.9737 -62.1539 -14.7723 34.816 52.9737 34.8161 18.178 GPRESSAVG: 1295800 1.81678 -63.5458 53.0879 -62.8547 -16.0155 36.2416 51.3299 35.8279 17.8483 TIMING: 1295800 CPU: 4111.11, 0.00321991/step Wall: 4111.11, 0.00321991/step, 3.31311 hours remaining, 238.867188 MB of memory in use. ENERGY: 1295800 4040.5168 20650.7880 14431.0170 233.8758 -203341.3698 2494.3953 0.0000 0.0000 52065.8351 -109424.9418 299.2231 -161490.7770 -109057.5512 299.6529 -10.4876 15.8541 760744.4051 0.9299 1.2165 PRESSURE: 1296000 235.339 -89.3817 9.44157 -89.3813 -105.474 -21.7925 9.44115 -21.7922 -41.4274 GPRESSURE: 1296000 212.223 -200.969 -26.1812 -74.0267 -15.3076 39.8415 97.0207 -70.7941 1.10711 PRESSAVG: 1296000 -16.2568 -2.53809 18.5901 -2.53804 19.2434 -3.50213 18.59 -3.5021 12.0589 GPRESSAVG: 1296000 -16.8275 -2.53509 19.0302 -1.3771 20.0789 -4.47213 21.4164 -4.15359 11.892 TIMING: 1296000 CPU: 4111.76, 0.00323591/step Wall: 4111.76, 0.00323591/step, 3.32939 hours remaining, 238.867188 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: 1296000 4022.6249 20560.6667 14424.7266 256.2713 -203277.3225 2515.1322 0.0000 0.0000 51976.0056 -109521.8952 298.7068 -161497.9008 -109160.7900 299.1508 29.4792 66.0076 762019.9463 5.0152 5.0478 PRESSURE: 1296200 -182.165 54.2013 151.539 54.2016 116.53 310.242 151.538 310.242 241.513 GPRESSURE: 1296200 -111.216 43.5611 101.605 -0.259887 97.891 444.987 276.615 310.263 265.249 PRESSAVG: 1296200 65.5267 -29.9041 68.3995 -29.9041 -37.1606 55.4747 68.3995 55.4747 -17.412 GPRESSAVG: 1296200 64.0607 -30.7983 67.3471 -31.7367 -35.9044 56.4946 67.6091 55.874 -17.5285 TIMING: 1296200 CPU: 4112.4, 0.0032205/step Wall: 4112.4, 0.0032205/step, 3.31336 hours remaining, 238.867188 MB of memory in use. ENERGY: 1296200 3951.3867 20522.7529 14357.0723 238.5338 -203399.9443 2539.2133 0.0000 0.0000 52100.4533 -109690.5320 299.4220 -161790.9853 -109327.6150 299.3234 58.6261 83.9747 760901.8205 3.6514 3.5426 LDB: ============= START OF LOAD BALANCING ============== 4124.86 LDB: ============== END OF LOAD BALANCING =============== 4124.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4124.86 LDB: ============= START OF LOAD BALANCING ============== 4125.19 LDB: Largest compute 7060 load 0.037693 is 19.3% of average load 0.195225 LDB: Average compute 0.004403 is 2.3% of average load 0.195225 LDB: TIME 4125.19 LOAD: AVG 0.195225 MAX 0.213802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4125.19 LOAD: AVG 0.195225 MAX 0.213802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: TIME 4125.19 LOAD: AVG 0.195225 MAX 0.213802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: ============== END OF LOAD BALANCING =============== 4125.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4125.2 PRESSURE: 1296400 296.616 -56.5919 -204.545 -56.5917 -210.742 54.0402 -204.546 54.0404 -638.866 GPRESSURE: 1296400 301.264 68.5433 -273.966 -41.8355 -159.566 46.8019 -141.824 102.395 -613.631 PRESSAVG: 1296400 -18.7383 1.15159 11.0779 1.15157 -21.3569 0.978954 11.0779 0.978942 -9.63726 GPRESSAVG: 1296400 -17.5891 3.19798 10.6925 2.22682 -23.165 0.186432 9.70808 0.50524 -9.52083 TIMING: 1296400 CPU: 4113.06, 0.00329989/step Wall: 4113.06, 0.00329989/step, 3.39486 hours remaining, 238.152344 MB of memory in use. ENERGY: 1296400 3980.5295 20493.7021 14463.1981 256.9826 -204059.4263 2832.5950 0.0000 0.0000 52092.0948 -109940.3241 299.3740 -162032.4190 -109573.4473 298.5281 -184.3305 -157.3111 761985.7666 -16.5775 -16.7583 PRESSURE: 1296600 47.27 59.9173 -111.733 59.9169 -187.256 -65.3779 -111.733 -65.3779 135.681 GPRESSURE: 1296600 136.782 114.758 -161.936 135.146 -210.869 -8.54588 -75.1672 24.4061 184.039 PRESSAVG: 1296600 36.1717 25.9069 -27.9218 25.907 5.11412 27.4742 -27.9217 27.4741 23.4754 GPRESSAVG: 1296600 36.6737 27.4328 -26.8522 27.5408 4.9127 27.3837 -25.4601 30.0545 23.6418 TIMING: 1296600 CPU: 4113.71, 0.00324206/step Wall: 4113.71, 0.00324206/step, 3.33518 hours remaining, 238.152344 MB of memory in use. ENERGY: 1296600 3946.4505 20537.5644 14355.7614 244.5422 -203803.2788 2801.5113 0.0000 0.0000 52033.6530 -109883.7961 299.0381 -161917.4491 -109525.3388 298.7307 -1.4350 36.6505 761419.4130 21.5871 21.7427 PRESSURE: 1296800 -234.979 -321.582 104.46 -321.583 176.28 220.504 104.459 220.505 157.841 GPRESSURE: 1296800 -228.457 -357.223 206.917 -249.704 226.212 226.919 157.427 187.139 199.597 PRESSAVG: 1296800 -53.7941 -14.2821 37.8945 -14.2822 59.5778 16.6653 37.8945 16.6652 15.5656 GPRESSAVG: 1296800 -52.9036 -16.0041 38.2669 -14.7078 59.5806 16.2518 36.8109 14.4269 14.6252 TIMING: 1296800 CPU: 4114.35, 0.0031978/step Wall: 4114.35, 0.0031978/step, 3.28947 hours remaining, 238.152344 MB of memory in use. ENERGY: 1296800 3909.8073 20424.5797 14437.4197 251.5461 -203876.4414 2672.3020 0.0000 0.0000 52175.3311 -110005.4554 299.8523 -162180.7865 -109648.0440 298.2247 33.0474 65.7844 760402.6421 7.1164 7.1007 PRESSURE: 1297000 -64.7937 -172.205 -129.653 -172.205 -294.938 -114.476 -129.654 -114.476 150.36 GPRESSURE: 1297000 -24.3871 -100.026 -210.944 -176.67 -271.198 -134.064 -100.047 -128.357 170.54 PRESSAVG: 1297000 43.3345 5.07495 -1.58199 5.07498 -36.8193 -30.1481 -1.58201 -30.1482 -0.508654 GPRESSAVG: 1297000 40.7795 4.37193 -3.55459 6.66101 -35.358 -29.1606 -2.30344 -29.4069 0.724082 TIMING: 1297000 CPU: 4114.99, 0.00319172/step Wall: 4114.99, 0.00319172/step, 3.28304 hours remaining, 238.152344 MB of memory in use. ENERGY: 1297000 3926.7023 20419.2743 14476.2973 266.2071 -203519.1593 2527.4105 0.0000 0.0000 51667.4555 -110235.8122 296.9336 -161903.2678 -109886.0089 298.0208 -69.7905 -41.6815 761581.1968 2.0022 2.0485 PRESSURE: 1297200 -490.551 13.9318 21.5184 13.9316 -32.5995 27.1318 21.5193 27.1316 -119.38 GPRESSURE: 1297200 -435.294 36.7272 81.6814 81.1287 -23.5295 -69.6219 6.96031 14.7689 -110.381 PRESSAVG: 1297200 2.38993 -38.9705 11.3954 -38.9705 -2.74957 -33.5875 11.3954 -33.5875 -0.732602 GPRESSAVG: 1297200 5.19952 -38.969 12.5487 -41.4876 -4.71411 -35.1228 13.3793 -33.4635 -1.3669 TIMING: 1297200 CPU: 4115.63, 0.00320514/step Wall: 4115.63, 0.00320514/step, 3.29666 hours remaining, 238.152344 MB of memory in use. ENERGY: 1297200 4042.7312 20462.8673 14450.4974 246.6249 -203612.1556 2530.0365 0.0000 0.0000 51802.8223 -110076.5759 297.7115 -161879.3982 -109715.2444 297.9182 -214.1768 -189.7348 762680.0381 -0.3641 -0.2938 PRESSURE: 1297400 -191.359 -103.693 -28.8824 -103.693 -285.019 -16.4246 -28.8819 -16.4251 -507.993 GPRESSURE: 1297400 -242.026 -44.0729 -72.2689 -72.3091 -204.395 15.5687 -131.758 -36.4314 -458.665 PRESSAVG: 1297400 2.24983 2.89795 -19.2417 2.89796 2.43618 14.0067 -19.2417 14.0067 4.89661 GPRESSAVG: 1297400 -0.684745 4.20358 -19.4463 2.7742 4.02795 14.4942 -21.7164 12.7807 6.00587 TIMING: 1297400 CPU: 4116.28, 0.00323201/step Wall: 4116.28, 0.00323201/step, 3.32412 hours remaining, 238.152344 MB of memory in use. ENERGY: 1297400 3953.4756 20613.1829 14422.2756 252.0903 -203541.1433 2466.1506 0.0000 0.0000 51978.0801 -109855.8882 298.7187 -161833.9683 -109489.3543 298.0543 -328.1235 -301.6953 762013.2974 3.1942 3.1164 PRESSURE: 1297600 123.765 -204.211 -64.224 -204.211 236.375 25.8088 -64.2234 25.8094 57.9313 GPRESSURE: 1297600 286.121 -87.9323 -20.0718 -292.822 229.684 -0.115577 -2.72562 25.9944 -11.3754 PRESSAVG: 1297600 32.7484 -41.2643 30.8776 -41.2642 -6.21984 47.62 30.8776 47.62 -1.80112 GPRESSAVG: 1297600 34.6709 -41.2972 31.539 -41.2942 -6.42145 49.9786 31.7233 48.3202 -3.56607 TIMING: 1297600 CPU: 4116.92, 0.00319401/step Wall: 4116.92, 0.00319401/step, 3.28486 hours remaining, 238.152344 MB of memory in use. ENERGY: 1297600 3983.9062 20396.8976 14414.0256 243.5992 -203724.9245 2808.0497 0.0000 0.0000 51914.4533 -109963.9929 298.3531 -161878.4462 -109601.5097 298.4723 139.3572 168.1430 760990.1356 8.2425 8.2278 PRESSURE: 1297800 -150.658 -51.8903 -58.3327 -51.8902 -134.618 0.193025 -58.3324 0.193241 149.62 GPRESSURE: 1297800 -30.3191 -114.321 -59.7893 -158.776 -134.026 -16.9025 41.8142 93.8717 138.61 PRESSAVG: 1297800 61.9343 -5.59285 33.3535 -5.59277 -24.406 6.62719 33.3535 6.62723 17.6919 GPRESSAVG: 1297800 61.7948 -6.80242 32.2854 -5.06671 -24.2697 4.17003 33.8595 6.48703 18.2556 TIMING: 1297800 CPU: 4117.56, 0.00321812/step Wall: 4117.56, 0.00321812/step, 3.30948 hours remaining, 238.152344 MB of memory in use. ENERGY: 1297800 4030.3325 20526.4660 14551.1957 270.3439 -203674.7878 2655.9219 0.0000 0.0000 51871.8877 -109768.6401 298.1085 -161640.5278 -109409.4697 298.3473 -45.2187 -8.5782 760600.6227 18.4067 18.5936 PRESSURE: 1298000 -218.42 25.8575 63.7455 25.8564 -404.459 52.0657 63.7455 52.0675 -53.3223 GPRESSURE: 1298000 -182.029 87.7216 83.8286 106.798 -365.716 9.76821 -30.1578 -63.0766 -27.0212 PRESSAVG: 1298000 79.9455 -22.2818 38.6607 -22.2817 -73.8549 19.2256 38.6607 19.2256 -6.99295 GPRESSAVG: 1298000 79.3149 -20.9882 40.3803 -21.5776 -73.908 19.4721 40.7536 19.5339 -6.14603 TIMING: 1298000 CPU: 4118.21, 0.00322579/step Wall: 4118.21, 0.00322579/step, 3.31719 hours remaining, 238.355469 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: 1298000 3947.4597 20577.3088 14498.7462 245.3233 -203174.8932 2322.4924 0.0000 0.0000 51951.3398 -109632.2231 298.5651 -161583.5629 -109266.9666 299.1806 -225.4007 -191.5889 762703.3830 -0.3008 -0.2464 PRESSURE: 1298200 -74.4246 -21.446 253.532 -21.4457 41.5271 194.468 253.532 194.467 -251.712 GPRESSURE: 1298200 -28.7361 -1.23041 246.844 74.3711 64.5682 128.1 218.234 139.843 -218.845 PRESSAVG: 1298200 23.7416 43.6876 20.2322 43.6876 -42.0038 50.8499 20.2321 50.8499 0.231673 GPRESSAVG: 1298200 24.5845 42.4481 18.9664 43.5173 -41.23 49.906 17.0153 50.4095 -1.18773 TIMING: 1298200 CPU: 4118.85, 0.00321376/step Wall: 4118.85, 0.00321376/step, 3.30464 hours remaining, 238.355469 MB of memory in use. ENERGY: 1298200 4013.6030 20492.0175 14438.8722 267.1317 -203153.4956 2383.7740 0.0000 0.0000 51876.9971 -109681.1003 298.1378 -161558.0974 -109320.8201 298.8893 -94.8699 -61.0044 762156.3151 -6.0102 -5.9444 PRESSURE: 1298400 -206.32 16.7514 -82.6235 16.752 -157.673 -176.808 -82.6232 -176.809 -393.166 GPRESSURE: 1298400 -214.222 63.206 -139.97 112.226 -143.396 -165.523 -24.0509 -158.794 -308.789 PRESSAVG: 1298400 -41.9426 -22.7451 48.317 -22.7452 36.124 40.7491 48.317 40.749 -1.98884 GPRESSAVG: 1298400 -42.3091 -21.2152 47.8131 -24.3638 35.0493 41.1421 48.779 41.113 -0.547797 TIMING: 1298400 CPU: 4119.49, 0.00322567/step Wall: 4119.49, 0.00322567/step, 3.3167 hours remaining, 238.355469 MB of memory in use. ENERGY: 1298400 4079.9345 20519.1179 14476.9597 244.6338 -203508.1551 2813.1508 0.0000 0.0000 52041.1637 -109333.1947 299.0813 -161374.3584 -108973.4908 299.3545 -252.3866 -222.1358 762800.9034 -2.6025 -2.6026 PRESSURE: 1298600 -123.695 -7.53744 -143.234 -7.53736 -263.857 -93.7244 -143.234 -93.7244 -297.335 GPRESSURE: 1298600 -95.2224 -3.93736 -89.4098 66.1983 -168.74 -18.2748 -114.798 -94.9632 -321.416 PRESSAVG: 1298600 16.2619 10.1103 -21.9107 10.1102 -39.0906 24.4182 -21.9107 24.4182 2.81758 GPRESSAVG: 1298600 16.8437 8.60141 -20.6139 12.2114 -38.9262 24.8614 -23.0922 26.2123 1.96522 TIMING: 1298600 CPU: 4120.14, 0.00321114/step Wall: 4120.14, 0.00321114/step, 3.30159 hours remaining, 238.355469 MB of memory in use. ENERGY: 1298600 3999.2558 20489.9755 14384.0026 244.4941 -202892.1839 2289.3415 0.0000 0.0000 52247.9146 -109237.1999 300.2695 -161485.1144 -108873.9092 299.6423 -228.2957 -195.1258 761054.2513 -6.6704 -6.7058 PRESSURE: 1298800 -131.692 252.737 -45.7581 252.737 -66.1829 -41.9307 -45.7575 -41.9299 -108.48 GPRESSURE: 1298800 -114.013 246.185 22.6078 106.975 -41.7444 24.1896 81.0319 -31.093 -69.747 PRESSAVG: 1298800 36.6364 -11.2253 8.03357 -11.2253 -13.6759 -6.84172 8.03351 -6.84175 1.79818 GPRESSAVG: 1298800 35.783 -11.8553 7.68486 -10.6307 -13.5033 -6.28471 12.2531 -9.04859 2.26526 TIMING: 1298800 CPU: 4120.78, 0.00322016/step Wall: 4120.78, 0.00322016/step, 3.31068 hours remaining, 238.355469 MB of memory in use. ENERGY: 1298800 4023.4829 20466.0773 14425.8604 263.3421 -203315.4511 2587.5180 0.0000 0.0000 52395.5277 -109153.6427 301.1178 -161549.1704 -108780.7016 300.0850 -102.1183 -75.1682 761053.4587 8.2529 8.1817 PRESSURE: 1299000 -282.321 -184.131 27.9028 -184.131 -236.574 -43.4976 27.9027 -43.4971 6.36193 GPRESSURE: 1299000 -300.025 -88.3295 43.3261 -142.734 -182.109 -36.0239 -25.3422 -1.09925 42.2543 PRESSAVG: 1299000 11.1062 -19.5556 12.3123 -19.5556 31.4143 -58.5854 12.3123 -58.5854 -0.0845172 GPRESSAVG: 1299000 10.9433 -17.9342 11.679 -19.4519 31.4968 -58.0839 11.4305 -59.2381 -0.638059 TIMING: 1299000 CPU: 4121.42, 0.00320133/step Wall: 4121.42, 0.00320133/step, 3.29114 hours remaining, 238.355469 MB of memory in use. ENERGY: 1299000 3938.0997 20806.3661 14411.4614 245.2941 -202994.9716 2285.8301 0.0000 0.0000 52101.7162 -109206.2039 299.4293 -161307.9201 -108844.4110 300.2264 -170.8443 -146.6268 760993.8068 14.1453 13.9340 PRESSURE: 1299200 416.248 89.5152 229.869 89.5157 245.947 -38.3153 229.869 -38.3152 69.777 GPRESSURE: 1299200 452.998 152.535 247.269 125.009 180.16 -101.823 15.1571 -67.7615 180.616 PRESSAVG: 1299200 66.5757 13.3115 34.7492 13.3116 -108.334 -36.5483 34.7492 -36.5483 -16.8055 GPRESSAVG: 1299200 67.1637 14.5837 33.8543 12.7132 -109.512 -35.731 31.7076 -36.1311 -16.5397 TIMING: 1299200 CPU: 4122.06, 0.00322281/step Wall: 4122.06, 0.00322281/step, 3.31305 hours remaining, 238.355469 MB of memory in use. ENERGY: 1299200 3949.9559 20586.8993 14406.6790 253.2354 -203292.4298 2818.2577 0.0000 0.0000 52017.9507 -109259.4519 298.9479 -161277.4025 -108896.4730 300.3251 243.9907 271.2583 761292.9373 -19.5213 -19.6292 PRESSURE: 1299400 -167.856 -29.4142 -103.404 -29.4137 -46.284 -273.106 -103.404 -273.106 134.057 GPRESSURE: 1299400 -129.988 -26.2037 -80.2498 -97.5353 -59.3708 -277.768 -21.2748 -242.943 184.209 PRESSAVG: 1299400 60.7881 -40.9558 20.7085 -40.9558 -88.1608 -33.3523 20.7085 -33.3524 -7.79364 GPRESSAVG: 1299400 60.674 -41.9386 22.6755 -39.6685 -87.8126 -33.6899 20.3863 -31.6763 -7.69105 TIMING: 1299400 CPU: 4122.7, 0.00319584/step Wall: 4122.7, 0.00319584/step, 3.28514 hours remaining, 238.558594 MB of memory in use. ENERGY: 1299400 4005.9426 20507.2695 14512.8384 238.1370 -203627.9731 2595.8272 0.0000 0.0000 52432.5055 -109335.4529 301.3303 -161767.9584 -108960.1910 300.2253 -26.6941 -1.7168 760808.7530 -11.7221 -11.6099 PRESSURE: 1299600 61.4999 -253.265 30.9581 -253.265 134.589 64.3256 30.9584 64.3251 -88.0665 GPRESSURE: 1299600 75.4869 -188.452 -59.7269 -232.569 126.9 80.9137 30.5859 67.5086 12.6323 PRESSAVG: 1299600 6.75996 -61.1773 -8.91877 -61.1773 0.226034 -14.5343 -8.91872 -14.5343 2.26917 GPRESSAVG: 1299600 5.47353 -61.7125 -12.0717 -59.9375 1.4751 -15.654 -5.31533 -14.5928 2.16632 TIMING: 1299600 CPU: 4123.35, 0.00321581/step Wall: 4123.35, 0.00321581/step, 3.3055 hours remaining, 238.558594 MB of memory in use. ENERGY: 1299600 3987.2442 20528.2793 14498.1696 249.1982 -203413.2591 2586.3982 0.0000 0.0000 52103.0940 -109460.8756 299.4372 -161563.9696 -109090.1357 299.6699 36.0075 71.6730 762312.1613 3.0851 3.0383 PRESSURE: 1299800 214.847 -226.977 -223.886 -226.977 -280.554 125.319 -223.885 125.32 -2.06474 GPRESSURE: 1299800 258.917 -164.135 -165.819 -158.232 -255.728 70.101 -244.923 212.392 15.3816 PRESSAVG: 1299800 20.3763 -67.9822 -1.30644 -67.9822 -15.1836 -28.9339 -1.30644 -28.9339 -6.63224 GPRESSAVG: 1299800 22.4671 -67.9734 0.741648 -69.6401 -16.5098 -29.0351 -2.83259 -28.5801 -7.11577 TIMING: 1299800 CPU: 4123.99, 0.00319478/step Wall: 4123.99, 0.00319478/step, 3.2837 hours remaining, 238.628906 MB of memory in use. ENERGY: 1299800 3939.2324 20639.5461 14483.4028 249.5223 -203598.5098 2893.1665 0.0000 0.0000 51951.5653 -109442.0743 298.5664 -161393.6396 -109082.8700 299.5109 -22.5908 6.1903 760148.0235 -0.4798 -0.3861 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300000 -251.247 100.938 -38.9603 100.938 -41.2589 48.9937 -38.9606 48.9938 194.685 GPRESSURE: 1300000 -157.142 35.7531 -27.7801 97.1665 -72.0792 -15.9916 9.99167 -56.9541 210.988 PRESSAVG: 1300000 27.073 -20.3451 24.964 -20.3451 -32.7464 29.608 24.964 29.608 11.5476 GPRESSAVG: 1300000 26.5989 -19.1666 25.0715 -20.6806 -33.496 30.7465 24.6781 29.896 13.1635 TIMING: 1300000 CPU: 4125.21, 0.00614223/step Wall: 4125.21, 0.00614223/step, 6.31284 hours remaining, 238.753906 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: 1300000 4051.4754 20560.1784 14417.1709 231.2125 -203585.6542 2561.6055 0.0000 0.0000 52343.9797 -109420.0318 300.8216 -161764.0116 -109059.8915 299.2677 -32.6072 -6.0776 760047.9949 1.9581 2.0888 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 PRESSURE: 1300200 172.316 5.6098 -299.149 5.60995 325.464 -149.132 -299.149 -149.133 299.146 GPRESSURE: 1300200 268.426 134.462 -244.941 -59.4967 353.461 -216.155 -360.899 -6.10654 267.12 PRESSAVG: 1300200 -10.1725 -31.2077 21.3805 -31.2078 4.96738 17.1352 21.3804 17.1352 10.7746 GPRESSAVG: 1300200 -10.5455 -33.126 22.8343 -29.8381 6.61006 16.5795 19.8152 16.3913 10.0306 TIMING: 1300200 CPU: 4126.19, 0.00487745/step Wall: 4126.19, 0.00487745/step, 5.01266 hours remaining, 238.753906 MB of memory in use. ENERGY: 1300200 3909.6800 20392.1860 14400.4478 254.6993 -203788.5885 3080.9897 0.0000 0.0000 52127.2258 -109623.3598 299.5759 -161750.5856 -109251.7096 299.0257 265.6419 296.3353 761035.8148 1.8565 2.0317 LDB: ============= START OF LOAD BALANCING ============== 4138.65 LDB: ============== END OF LOAD BALANCING =============== 4138.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4138.65 LDB: ============= START OF LOAD BALANCING ============== 4138.97 LDB: Largest compute 7059 load 0.038042 is 19.5% of average load 0.195282 LDB: Average compute 0.004407 is 2.3% of average load 0.195282 LDB: TIME 4138.97 LOAD: AVG 0.195282 MAX 0.217741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.711 MB LDB: TIME 4138.97 LOAD: AVG 0.195282 MAX 0.217741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.711 MB LDB: TIME 4138.97 LOAD: AVG 0.195282 MAX 0.217741 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.711 MB LDB: ============== END OF LOAD BALANCING =============== 4138.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4138.98 PRESSURE: 1300400 -62.4844 -1.58082 -113.238 -1.58011 398.196 -18.5719 -113.238 -18.5718 153.022 GPRESSURE: 1300400 76.5304 -25.4922 -138.928 85.3772 397.801 45.4364 -162.119 -180.116 97.0678 PRESSAVG: 1300400 -15.3502 -18.0799 39.1932 -18.0799 6.03324 3.86662 39.1932 3.8667 -5.00939 GPRESSAVG: 1300400 -14.3513 -17.472 37.2736 -19.9583 5.66035 4.83087 41.2804 2.51827 -5.63862 TIMING: 1300400 CPU: 4126.85, 0.00327558/step Wall: 4126.85, 0.00327558/step, 3.3662 hours remaining, 240.207031 MB of memory in use. ENERGY: 1300400 4015.4657 20507.7675 14439.6583 252.1162 -204062.0973 2866.3257 0.0000 0.0000 52095.5844 -109885.1795 299.3940 -161980.7639 -109524.9980 299.0612 162.9113 190.4665 757816.6768 -4.7755 -4.7765 PRESSURE: 1300600 -96.5383 123.297 -76.7959 123.297 77.973 86.188 -76.7961 86.188 -72.419 GPRESSURE: 1300600 -30.958 -6.12611 -8.77322 90.341 105.021 84.7804 -61.6758 1.55968 -85.5264 PRESSAVG: 1300600 21.8248 5.53634 -10.9997 5.53628 8.57575 -14.4421 -10.9997 -14.442 -11.9648 GPRESSAVG: 1300600 21.201 3.68445 -10.1162 6.76111 9.08299 -13.7092 -11.7389 -13.0732 -11.7907 TIMING: 1300600 CPU: 4127.49, 0.00321047/step Wall: 4127.49, 0.00321047/step, 3.29911 hours remaining, 240.277344 MB of memory in use. ENERGY: 1300600 4043.3151 20621.9728 14356.4421 237.1295 -203144.0026 2320.0049 0.0000 0.0000 51639.1960 -109925.9423 296.7712 -161565.1383 -109573.0387 298.4235 -30.3281 -3.8213 760991.5244 6.1453 6.1644 PRESSURE: 1300800 -372.308 122.318 202.915 122.318 -31.8507 317.96 202.916 317.96 421.692 GPRESSURE: 1300800 -268.767 143.654 223.924 194.543 -51.2736 286.462 264.564 251.848 452.222 PRESSAVG: 1300800 2.09146 -10.827 26.7955 -10.827 3.06074 -21.6074 26.7954 -21.6075 1.72543 GPRESSAVG: 1300800 2.58188 -9.12622 25.0253 -10.223 2.80784 -21.7674 27.4653 -24.7754 1.72326 TIMING: 1300800 CPU: 4128.13, 0.00321982/step Wall: 4128.13, 0.00321981/step, 3.30854 hours remaining, 240.277344 MB of memory in use. ENERGY: 1300800 3981.4606 20315.4055 14446.8478 238.7201 -203233.1617 2559.9619 0.0000 0.0000 51930.6030 -109760.1628 298.4459 -161690.7658 -109388.1942 298.1958 5.8443 44.0602 759917.3405 2.2925 2.3710 PRESSURE: 1301000 358.394 135.849 -133.02 135.849 441.037 40.2157 -133.021 40.2145 523.587 GPRESSURE: 1301000 318.48 116.749 -20.47 -82.7641 551.849 105.94 -105.001 178.213 535.393 PRESSAVG: 1301000 -51.4961 24.0332 -27.1209 24.0333 23.4346 36.3556 -27.1209 36.3556 18.3685 GPRESSAVG: 1301000 -53.0406 25.9624 -24.7191 21.4985 24.6911 36.8352 -29.7602 39.495 18.8088 TIMING: 1301000 CPU: 4128.78, 0.00323268/step Wall: 4128.78, 0.00323268/step, 3.32157 hours remaining, 240.277344 MB of memory in use. ENERGY: 1301000 3933.4526 20598.1568 14427.8096 233.5473 -203814.0934 3001.5376 0.0000 0.0000 51987.6652 -109631.9242 298.7738 -161619.5894 -109275.8466 298.5842 441.0059 468.5738 759037.0571 -3.2310 -3.1802 PRESSURE: 1301200 -145.661 58.8636 248.49 58.8634 -24.1629 -130.809 248.491 -130.81 -146.424 GPRESSURE: 1301200 -118.837 23.8085 252.118 142.799 26.6204 -190.387 268.515 -159.148 -149.192 PRESSAVG: 1301200 -75.4282 -22.8223 42.3387 -22.8223 49.444 -3.52553 42.3388 -3.52542 -19.184 GPRESSAVG: 1301200 -75.1815 -25.6929 40.4633 -18.6795 48.6441 -4.18641 42.8096 -3.13452 -18.5183 TIMING: 1301200 CPU: 4129.43, 0.00324337/step Wall: 4129.43, 0.00324337/step, 3.33238 hours remaining, 240.277344 MB of memory in use. ENERGY: 1301200 4113.4872 20449.4572 14464.4050 236.8817 -203438.1545 2471.5571 0.0000 0.0000 51972.2781 -109730.0882 298.6854 -161702.3663 -109373.4466 298.5049 -105.4159 -80.4696 760219.9661 -15.0561 -15.0186 PRESSURE: 1301400 84.7579 -76.4986 -74.1724 -76.4988 204.451 -40.2435 -74.1721 -40.2442 31.7304 GPRESSURE: 1301400 33.0586 -81.8538 -43.9706 -150.377 197.547 -33.9577 -145.371 -53.0613 145.384 PRESSAVG: 1301400 6.71795 -72.7217 45.3533 -72.7217 -17.8886 -32.9674 45.3534 -32.9674 6.52993 GPRESSAVG: 1301400 7.53752 -70.9169 44.8499 -74.3558 -18.412 -33.1189 48.7927 -32.6579 6.2575 TIMING: 1301400 CPU: 4130.07, 0.00322786/step Wall: 4130.07, 0.00322786/step, 3.31626 hours remaining, 240.277344 MB of memory in use. ENERGY: 1301400 4060.9321 20444.8422 14527.2843 242.9105 -203755.6154 2749.5741 0.0000 0.0000 52111.4511 -109618.6212 299.4852 -161730.0723 -109257.3571 298.8673 106.9796 125.3299 761451.1219 -1.5469 -1.5390 PRESSURE: 1301600 -374.183 5.47326 -9.21902 5.47453 -477.614 -189.84 -9.21921 -189.84 -20.2459 GPRESSURE: 1301600 -345.915 -35.475 -17.1031 18.4158 -432.724 -155.919 -75.2634 -174.393 -28.8629 PRESSAVG: 1301600 6.24132 -22.4165 19.6279 -22.4164 -38.0786 -37.6816 19.6279 -37.6816 -40.6155 GPRESSAVG: 1301600 6.33481 -23.5627 21.6662 -24.35 -37.9393 -37.9969 17.7845 -39.0904 -41.3251 TIMING: 1301600 CPU: 4130.72, 0.00323191/step Wall: 4130.72, 0.00323191/step, 3.32025 hours remaining, 240.277344 MB of memory in use. ENERGY: 1301600 3986.7245 20547.9936 14429.4306 256.6510 -203019.0256 2429.4091 0.0000 0.0000 51992.7055 -109376.1112 298.8028 -161368.8167 -109021.1294 298.8968 -290.6812 -269.1674 762962.7336 -24.1509 -24.3098 PRESSURE: 1301800 41.3018 89.0036 -143.618 89.0029 130.003 -60.8985 -143.618 -60.8981 -50.7899 GPRESSURE: 1301800 163.698 180.989 -164.827 -11.0644 54.9722 -177.46 -90.0765 -55.0892 -7.06868 PRESSAVG: 1301800 -3.71976 -36.9216 -6.41724 -36.9216 17.8744 14.4805 -6.41724 14.4806 26.9437 GPRESSAVG: 1301800 -2.86296 -37.2223 -10.1217 -34.7945 17.2168 14.1954 -5.13281 14.9825 25.8706 TIMING: 1301800 CPU: 4131.36, 0.00321861/step Wall: 4131.36, 0.00321861/step, 3.30641 hours remaining, 240.277344 MB of memory in use. ENERGY: 1301800 4044.8579 20575.3779 14461.6878 247.8976 -203178.4219 2622.6389 0.0000 0.0000 52357.4575 -108868.5043 300.8990 -161225.9618 -108505.1571 299.9503 40.1715 70.5339 761604.3767 13.6995 13.4081 PRESSURE: 1302000 95.5425 -258.15 -43.4014 -258.15 37.7605 67.3161 -43.4012 67.3149 -219.644 GPRESSURE: 1302000 44.097 -151.409 15.7192 -151.298 171.507 -18.3243 -84.103 240.267 -223.16 PRESSAVG: 1302000 2.46672 16.7924 -31.991 16.7924 46.5925 73.7013 -31.9909 73.7013 4.14535 GPRESSAVG: 1302000 0.20627 18.8075 -29.7202 16.6075 47.1453 74.127 -31.561 75.7773 5.9026 TIMING: 1302000 CPU: 4132, 0.00320543/step Wall: 4132, 0.00320543/step, 3.29268 hours remaining, 240.277344 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: 1302000 3979.6259 20561.0904 14363.0164 268.5772 -203159.1195 2661.5880 0.0000 0.0000 52340.8808 -108984.3408 300.8038 -161325.2216 -108614.9961 300.5523 -28.7803 -2.5188 762257.7510 17.7348 17.7514 PRESSURE: 1302200 132.325 -21.2122 -40.38 -21.2115 17.5649 -9.33789 -40.3793 -9.33866 -371.669 GPRESSURE: 1302200 141.787 -51.0195 -64.6248 -45.1529 -1.06702 10.7175 -18.8311 -33.8571 -280.439 PRESSAVG: 1302200 -2.37252 -11.8364 -10.3347 -11.8365 -6.17705 113.334 -10.3346 113.334 2.70805 GPRESSAVG: 1302200 -1.29534 -12.5365 -11.2164 -10.3548 -6.17363 114.447 -12.2506 111.13 1.70609 TIMING: 1302200 CPU: 4132.64, 0.00319656/step Wall: 4132.64, 0.00319656/step, 3.2834 hours remaining, 240.277344 MB of memory in use. ENERGY: 1302200 3982.7410 20588.0084 14483.8824 245.7359 -203132.2734 2391.7889 0.0000 0.0000 52327.0476 -109113.0692 300.7243 -161440.1168 -108740.4591 299.7854 -73.9264 -46.5730 760851.6738 -1.9472 -1.9210 PRESSURE: 1302400 -10.6374 -40.189 139.575 -40.1898 -15.143 86.4396 139.575 86.4397 43.7285 GPRESSURE: 1302400 36.8124 -25.1927 166.518 -132.395 39.6497 118.284 92.3393 92.7228 22.1395 PRESSAVG: 1302400 -26.4378 -43.9853 -14.6126 -43.9853 24.4506 -18.1301 -14.6126 -18.1301 9.61775 GPRESSAVG: 1302400 -25.6642 -43.0464 -14.2237 -46.9681 23.8357 -19.0916 -14.2864 -17.4703 9.27771 TIMING: 1302400 CPU: 4133.29, 0.00322947/step Wall: 4133.29, 0.00322947/step, 3.31703 hours remaining, 240.277344 MB of memory in use. ENERGY: 1302400 3997.6403 20686.3139 14465.5925 258.7336 -203144.8821 2626.7760 0.0000 0.0000 52048.2104 -109061.6154 299.1218 -161109.8258 -108707.8209 299.8544 5.9827 32.8672 761512.5801 2.5435 2.4831 PRESSURE: 1302600 -313.425 97.2527 40.1858 97.2522 -247.771 209.056 40.1855 209.056 -107.195 GPRESSURE: 1302600 -250.038 -7.16543 14.9685 154.607 -206.594 195.625 56.9119 160.276 -118.294 PRESSAVG: 1302600 -48.0631 1.0841 -1.16317 1.08406 51.2423 54.9025 -1.16319 54.9025 -2.35775 GPRESSAVG: 1302600 -48.8642 0.0198882 -0.160619 2.66701 51.5944 56.8096 -2.20772 52.8695 -2.40045 TIMING: 1302600 CPU: 4133.93, 0.00322888/step Wall: 4133.93, 0.00322888/step, 3.31624 hours remaining, 240.277344 MB of memory in use. ENERGY: 1302600 4136.0089 20482.8441 14419.1318 243.3291 -202745.8593 2463.5890 0.0000 0.0000 52211.1597 -108789.7967 300.0583 -161000.9564 -108427.6924 300.0584 -222.7969 -191.6420 763114.5823 0.2738 0.1099 PRESSURE: 1302800 67.9218 -35.6969 -194.824 -35.6964 109.35 176.24 -194.824 176.24 277.15 GPRESSURE: 1302800 123.021 45.6043 -265.853 -2.89025 193.51 171.179 -71.3912 211.296 233.394 PRESSAVG: 1302800 -5.49013 -2.36367 -23.2409 -2.36364 11.8479 -26.2392 -23.2409 -26.2391 18.7071 GPRESSAVG: 1302800 -5.20191 -3.18302 -24.9409 -3.39674 11.0228 -26.2674 -21.4768 -24.8616 18.9886 TIMING: 1302800 CPU: 4134.58, 0.00320928/step Wall: 4134.58, 0.00320928/step, 3.29593 hours remaining, 240.277344 MB of memory in use. ENERGY: 1302800 3996.7546 20601.5829 14470.2906 261.1187 -203213.9446 2743.3239 0.0000 0.0000 52354.9353 -108785.9386 300.8845 -161140.8739 -108421.1502 300.9659 151.4741 183.3082 761116.6305 8.3550 8.2698 PRESSURE: 1303000 -163.03 62.8845 -47.8246 62.8841 -164.338 -48.2979 -47.8264 -48.2979 -96.6452 GPRESSURE: 1303000 -142.584 -17.3488 -99.9377 -8.87445 -74.4737 -143.717 83.8257 -152.651 -123.478 PRESSAVG: 1303000 -45.4135 -54.9161 -43.5952 -54.916 59.7407 -9.26658 -43.5953 -9.26655 -0.563871 GPRESSAVG: 1303000 -45.9893 -51.5105 -42.081 -55.7879 60.085 -11.3284 -43.9481 -9.11864 -0.581845 TIMING: 1303000 CPU: 4135.22, 0.00319905/step Wall: 4135.22, 0.00319905/step, 3.28525 hours remaining, 240.277344 MB of memory in use. ENERGY: 1303000 4058.8068 20469.5107 14479.8895 256.1520 -203122.8874 2588.0895 0.0000 0.0000 52323.7258 -108946.7132 300.7052 -161270.4390 -108587.1885 300.6813 -141.3378 -113.5119 762480.1427 4.5878 4.5046 PRESSURE: 1303200 -43.6391 166.64 -74.1306 166.64 32.1868 102.731 -74.1307 102.731 594.355 GPRESSURE: 1303200 51.5853 -0.247341 67.6031 135.717 -23.2793 93.2941 -154.125 128.06 644.143 PRESSAVG: 1303200 -18.4271 -4.71358 -13.9777 -4.71355 48.3688 -56.8621 -13.9778 -56.8621 2.86639 GPRESSAVG: 1303200 -19.3267 -7.90559 -13.5747 -4.10912 47.9738 -57.171 -15.9569 -57.836 4.38923 TIMING: 1303200 CPU: 4135.85, 0.00319456/step Wall: 4135.85, 0.00319456/step, 3.28046 hours remaining, 240.277344 MB of memory in use. ENERGY: 1303200 3999.4004 20429.6833 14365.6010 242.8884 -203082.5511 2848.1095 0.0000 0.0000 52382.8693 -108813.9992 301.0451 -161196.8684 -108459.6538 300.3376 194.3009 224.1495 762117.3685 10.9360 11.0121 PRESSURE: 1303400 129.178 94.6348 143.645 94.635 -56.242 194.418 143.645 194.419 57.4881 GPRESSURE: 1303400 177.724 49.9563 182.431 38.9656 -96.1959 190.455 90.2627 125.412 132.593 PRESSAVG: 1303400 -28.0691 -30.1556 -43.0137 -30.1556 7.48647 21.4624 -43.0137 21.4624 8.0054 GPRESSAVG: 1303400 -25.7937 -29.4952 -44.4529 -31.7691 6.92481 22.8192 -40.2345 19.9865 7.09626 TIMING: 1303400 CPU: 4136.49, 0.00319152/step Wall: 4136.49, 0.00319152/step, 3.27716 hours remaining, 240.277344 MB of memory in use. ENERGY: 1303400 3995.6684 20715.2086 14459.1943 242.1305 -203324.7558 2722.8018 0.0000 0.0000 52317.4810 -108872.2712 300.6693 -161189.7522 -108517.9518 300.5912 43.4748 71.3739 762263.4493 -4.1924 -3.9242 PRESSURE: 1303600 -24.8455 -74.054 -34.1899 -74.0533 60.7115 -28.7308 -34.19 -28.7306 89.7871 GPRESSURE: 1303600 -5.98044 -122.858 -26.6085 -70.7437 85.179 -65.7846 76.9599 10.3831 135.245 PRESSAVG: 1303600 -51.7494 -0.88841 11.1064 -0.888451 9.32135 5.33479 11.1063 5.33472 -24.7187 GPRESSAVG: 1303600 -53.5031 0.0265427 11.259 -0.301791 10.6472 4.44162 10.7534 7.53866 -24.5092 TIMING: 1303600 CPU: 4137.13, 0.00320309/step Wall: 4137.13, 0.00320309/step, 3.28886 hours remaining, 240.277344 MB of memory in use. ENERGY: 1303600 4074.3142 20617.6663 14428.7247 229.8686 -202763.1631 2504.0298 0.0000 0.0000 52076.8432 -108831.7163 299.2863 -160908.5595 -108463.0570 300.5288 41.8844 71.4812 762508.9084 -22.3822 -22.4550 PRESSURE: 1303800 96.8487 159.268 -170.012 159.268 -137.995 68.4461 -170.011 68.4456 94.3639 GPRESSURE: 1303800 223.291 202.778 -227.616 167.238 -166.446 37.0081 -174.433 200.292 89.6293 PRESSAVG: 1303800 55.1932 2.0036 -16.0907 2.0036 -27.1029 -14.1153 -16.0907 -14.1154 9.81177 GPRESSAVG: 1303800 55.2359 1.23345 -17.7829 1.62056 -27.8146 -13.41 -15.4965 -13.6492 10.7187 TIMING: 1303800 CPU: 4137.77, 0.0031845/step Wall: 4137.77, 0.0031845/step, 3.2696 hours remaining, 240.277344 MB of memory in use. ENERGY: 1303800 4087.0181 20729.8208 14483.6520 238.6199 -203450.3712 2796.4689 0.0000 0.0000 52429.4502 -108685.3413 301.3128 -161114.7915 -108323.6394 300.6662 17.7390 48.8250 759782.6954 12.6340 12.7133 PRESSURE: 1304000 156.792 169.606 209.703 169.605 76.4876 11.373 209.702 11.3723 479.895 GPRESSURE: 1304000 145.36 140.177 198.886 200.609 195.218 -30.5877 210.685 100.271 464.609 PRESSAVG: 1304000 30.2087 83.9196 -7.02005 83.9196 -25.2823 13.7985 -7.02006 13.7986 -10.5521 GPRESSAVG: 1304000 30.2738 83.6953 -6.29986 83.9689 -24.2044 13.0329 -8.10912 14.4652 -12.3047 TIMING: 1304000 CPU: 4138.41, 0.00319039/step Wall: 4138.41, 0.00319039/step, 3.27547 hours remaining, 240.277344 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: 1304000 3977.5166 20731.8097 14409.6327 237.8778 -203409.8328 2703.3994 0.0000 0.0000 52737.1341 -108612.4624 303.0810 -161349.5965 -108241.6407 301.5489 237.7251 268.3957 759244.2766 -1.8752 -2.0784 PRESSURE: 1304200 -251.386 -141.787 234.432 -141.788 -264.318 25.3318 234.431 25.3326 -67.4286 GPRESSURE: 1304200 -243.121 -32.8411 246.843 -74.6818 -177.414 154.794 137.117 -74.7839 -78.2009 PRESSAVG: 1304200 7.16649 52.9132 1.504 52.9132 -1.16521 4.11922 1.50401 4.11919 22.786 GPRESSAVG: 1304200 6.55543 53.5112 1.67964 53.1262 -1.19736 4.92193 1.82523 3.37424 23.5179 TIMING: 1304200 CPU: 4139.05, 0.00321462/step Wall: 4139.05, 0.00321462/step, 3.30016 hours remaining, 240.277344 MB of memory in use. ENERGY: 1304200 4085.7057 20684.2809 14410.5770 242.2126 -202964.8125 2396.2782 0.0000 0.0000 52292.4576 -108853.3004 300.5255 -161145.7580 -108481.9612 301.1012 -194.3775 -166.2451 761226.8843 9.5958 9.6253 LDB: ============= START OF LOAD BALANCING ============== 4151.51 LDB: ============== END OF LOAD BALANCING =============== 4151.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4151.51 LDB: ============= START OF LOAD BALANCING ============== 4151.83 LDB: Largest compute 7068 load 0.039392 is 20.2% of average load 0.195104 LDB: Average compute 0.004412 is 2.3% of average load 0.195104 LDB: TIME 4151.83 LOAD: AVG 0.195104 MAX 0.221833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.531 MB LDB: TIME 4151.83 LOAD: AVG 0.195104 MAX 0.221833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: TIME 4151.83 LOAD: AVG 0.195104 MAX 0.217666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: ============== END OF LOAD BALANCING =============== 4151.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4151.84 PRESSURE: 1304400 -334.485 -82.0874 -149.472 -82.0877 -142.826 190.234 -149.473 190.234 -116.606 GPRESSURE: 1304400 -265.1 -58.1494 -235.603 18.9423 -111.746 117.12 -66.6469 147.497 -117.636 PRESSAVG: 1304400 -25.2119 -3.43894 -18.0307 -3.43884 36.2882 32.8722 -18.0307 32.8723 -33.5765 GPRESSAVG: 1304400 -25.1134 -3.47365 -16.3995 -2.68565 35.3393 30.5695 -17.7375 33.3398 -32.8863 TIMING: 1304400 CPU: 4139.7, 0.00325951/step Wall: 4139.7, 0.00325951/step, 3.34607 hours remaining, 236.667969 MB of memory in use. ENERGY: 1304400 4076.9332 20702.2346 14490.5183 243.4016 -203335.0540 2679.4882 0.0000 0.0000 52223.7399 -108918.7382 300.1306 -161142.4781 -108560.4763 300.7708 -197.9725 -164.8272 760677.1568 -7.5001 -7.5535 PRESSURE: 1304600 -90.7825 -222.325 -0.857461 -222.325 -302.237 -0.255946 -0.858194 -0.255814 17.6846 GPRESSURE: 1304600 -62.0425 -272.418 -85.4572 -208.068 -249.423 8.80283 124.803 -23.8383 16.0745 PRESSAVG: 1304600 4.76598 -47.6786 -27.4595 -47.6786 18.9939 7.56213 -27.4595 7.5622 4.08049 GPRESSAVG: 1304600 6.22446 -46.052 -29.5473 -48.7893 18.2804 9.86716 -26.7361 7.18852 3.88661 TIMING: 1304600 CPU: 4140.34, 0.00317717/step Wall: 4140.34, 0.00317717/step, 3.26137 hours remaining, 236.667969 MB of memory in use. ENERGY: 1304600 3963.8022 20798.5729 14458.9436 231.1838 -202950.5898 2350.4506 0.0000 0.0000 52135.7220 -109011.9146 299.6247 -161147.6366 -108654.3693 300.2372 -125.1118 -98.4638 762209.4589 9.2801 9.4638 PRESSURE: 1304800 116.845 -48.3701 209.092 -48.3691 -286.685 -63.9644 209.092 -63.9639 -115.507 GPRESSURE: 1304800 140.5 -39.5557 182.932 -50.1651 -287.319 -23.7403 179.033 59.531 -54.2612 PRESSAVG: 1304800 24.3675 -41.3522 33.1411 -41.3523 -29.4173 -7.95989 33.1411 -7.95996 9.8211 GPRESSAVG: 1304800 24.0588 -41.473 32.8632 -40.0471 -28.4219 -7.32082 31.7295 -8.46573 9.19925 TIMING: 1304800 CPU: 4140.98, 0.00319392/step Wall: 4140.98, 0.00319392/step, 3.27838 hours remaining, 236.871094 MB of memory in use. ENERGY: 1304800 3963.5887 20679.2557 14424.0937 248.8481 -203222.0970 2642.2701 0.0000 0.0000 52302.1961 -108961.8446 300.5814 -161264.0407 -108590.1754 300.0320 -95.1157 -67.0266 761788.0174 1.5904 1.6120 PRESSURE: 1305000 -212.029 -100.991 -17.8637 -100.991 -146.956 -10.3737 -17.8637 -10.3735 -245.859 GPRESSURE: 1305000 -155.944 -48.634 45.1826 -32.6459 -171.185 13.5289 -67.0592 65.2658 -181.502 PRESSAVG: 1305000 -32.6624 -45.7083 -26.8794 -45.7083 -3.96491 -16.57 -26.8794 -16.5699 18.4578 GPRESSAVG: 1305000 -32.9709 -46.1305 -26.5213 -47.608 -4.34495 -17.1386 -26.6833 -14.7522 19.276 TIMING: 1305000 CPU: 4141.62, 0.00318803/step Wall: 4141.62, 0.00318803/step, 3.27216 hours remaining, 236.871094 MB of memory in use. ENERGY: 1305000 4003.5408 20691.6952 14497.6808 234.1174 -202561.2567 2407.2364 0.0000 0.0000 51999.3549 -108727.6313 298.8410 -160726.9862 -108364.8345 300.0997 -201.6146 -169.5438 763872.5212 -6.0565 -6.0133 PRESSURE: 1305200 -54.9986 -126.77 -283.224 -126.77 42.2665 -85.658 -283.225 -85.6587 -216.193 GPRESSURE: 1305200 -3.52299 -110.577 -217.102 17.2959 65.7479 2.17359 -247.702 -105.834 -209.864 PRESSAVG: 1305200 7.87529 -0.124876 -47.6046 -0.12491 -2.07216 -9.16787 -47.6046 -9.1678 18.1884 GPRESSAVG: 1305200 7.46548 -0.565262 -46.4858 0.965674 -1.53566 -8.98917 -47.9987 -9.67474 18.1808 TIMING: 1305200 CPU: 4142.25, 0.00318254/step Wall: 4142.25, 0.00318254/step, 3.26635 hours remaining, 236.871094 MB of memory in use. ENERGY: 1305200 4005.8429 20741.6921 14459.9657 249.5567 -203033.5981 2680.9715 0.0000 0.0000 52209.1259 -108686.4433 300.0466 -160895.5692 -108334.0815 300.5225 -76.3084 -49.2131 761642.1958 7.9972 8.0369 PRESSURE: 1305400 94.6645 31.1621 61.1126 31.162 34.9215 -97.3061 61.1127 -97.3054 93.4773 GPRESSURE: 1305400 94.5555 6.78434 40.0509 108.99 124.3 -131.04 6.5666 -120.515 106.914 PRESSAVG: 1305400 -10.6918 -13.4178 -61.0463 -13.4178 37.7289 -28.0782 -61.0463 -28.0782 -2.89158 GPRESSAVG: 1305400 -9.62455 -11.3654 -62.1122 -13.0121 35.6738 -28.6781 -61.0409 -28.9679 -2.05474 TIMING: 1305400 CPU: 4142.89, 0.00319228/step Wall: 4142.89, 0.00319228/step, 3.27616 hours remaining, 236.871094 MB of memory in use. ENERGY: 1305400 4061.9403 20665.2744 14411.8012 256.5551 -203082.5373 2435.6073 0.0000 0.0000 52396.2533 -108855.1058 301.1220 -161251.3591 -108498.2694 300.6260 74.3544 108.5898 762396.0687 8.0485 7.9982 PRESSURE: 1305600 12.3223 17.3717 32.0783 17.3715 95.2851 62.5183 32.0787 62.5187 45.7423 GPRESSURE: 1305600 92.2252 62.7273 16.3711 98.4226 121.853 85.1481 19.6158 139.941 36.3965 PRESSAVG: 1305600 25.9822 13.3364 -37.1654 13.3363 -2.451 -22.0065 -37.1654 -22.0065 7.64748 GPRESSAVG: 1305600 26.0169 10.1133 -36.4587 14.6096 -1.26475 -22.2185 -37.9763 -20.1074 6.78698 TIMING: 1305600 CPU: 4143.53, 0.00317672/step Wall: 4143.53, 0.00317672/step, 3.26002 hours remaining, 236.871094 MB of memory in use. ENERGY: 1305600 4004.1381 20705.1547 14456.6578 233.2872 -203858.0444 2986.8447 0.0000 0.0000 52395.3490 -109076.6128 301.1168 -161471.9619 -108720.6722 300.5730 51.1166 83.4917 760321.2648 10.3929 10.5130 PRESSURE: 1305800 28.9637 -18.9272 106.616 -18.9269 126.739 144.551 106.617 144.551 -77.2716 GPRESSURE: 1305800 101.984 139.765 80.6944 -53.9094 106.407 79.9869 115.702 108.157 -35.6106 PRESSAVG: 1305800 23.4268 24.1607 21.7513 24.1606 -24.5601 -14.4393 21.7513 -14.4393 8.04367 GPRESSAVG: 1305800 23.4515 25.6182 20.962 23.6497 -24.224 -13.2094 24.0298 -16.798 7.85105 TIMING: 1305800 CPU: 4144.17, 0.00320341/step Wall: 4144.17, 0.00320341/step, 3.28724 hours remaining, 236.871094 MB of memory in use. ENERGY: 1305800 3943.6232 20711.1918 14470.1038 245.1330 -203499.8309 2888.7565 0.0000 0.0000 52243.4770 -108997.5456 300.2440 -161241.0226 -108642.5558 300.2642 26.1436 57.5934 760485.4226 2.3034 2.3595 PRESSURE: 1306000 -144.166 -215.567 -44.0362 -215.568 -324.726 82.5867 -44.0362 82.5853 -213.649 GPRESSURE: 1306000 -198.678 -181.373 -115.831 -105.852 -222.409 140.197 -12.258 194.791 -172.657 PRESSAVG: 1306000 41.7164 -12.9681 0.888938 -12.9681 -40.0995 -5.00728 0.88896 -5.00732 41.762 GPRESSAVG: 1306000 42.256 -13.1947 1.81585 -12.714 -40.4098 -5.34115 -0.689466 -3.91839 40.9638 TIMING: 1306000 CPU: 4144.81, 0.00321603/step Wall: 4144.81, 0.00321603/step, 3.30001 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1306000 3958.6108 20649.9375 14486.7993 241.0798 -202700.9452 2118.9162 0.0000 0.0000 52146.7865 -109098.8151 299.6883 -161245.6016 -108737.5208 300.1020 -227.5134 -197.9147 763712.5956 14.4596 14.2700 PRESSURE: 1306200 343.678 -118.038 -63.2968 -118.037 -275.592 -160.044 -63.2971 -160.044 -68.3044 GPRESSURE: 1306200 326.562 -71.8395 -42.5947 -140.188 -191.915 -185.466 -111.974 -171.196 -54.1554 PRESSAVG: 1306200 36.592 -82.8411 -3.04331 -82.8411 -22.7837 -18.7454 -3.04331 -18.7454 -6.23422 GPRESSAVG: 1306200 35.7832 -82.4999 -3.36319 -81.8986 -21.428 -18.3261 -2.32599 -19.0812 -6.49409 TIMING: 1306200 CPU: 4145.45, 0.00322232/step Wall: 4145.45, 0.00322232/step, 3.30628 hours remaining, 236.871094 MB of memory in use. ENERGY: 1306200 3962.0856 20787.2071 14486.1579 250.7354 -203310.0523 2457.7304 0.0000 0.0000 52154.9966 -109211.1393 299.7355 -161366.1359 -108857.1248 300.0178 -0.0727 26.8305 760181.3795 2.5247 2.6204 PRESSURE: 1306400 268.671 -52.3526 -33.5035 -52.3523 39.3138 -24.9994 -33.5026 -24.9994 246.201 GPRESSURE: 1306400 298.651 -2.65989 13.4247 -23.9018 99.2486 67.7714 -56.9031 -32.9385 234.878 PRESSAVG: 1306400 44.8423 -7.20208 -8.0699 -7.20206 -21.7611 -9.31375 -8.06984 -9.3137 -3.30723 GPRESSAVG: 1306400 43.3592 -8.19475 -6.36685 -8.8386 -21.6035 -9.96155 -10.1299 -10.8273 -1.89561 TIMING: 1306400 CPU: 4146.09, 0.00319136/step Wall: 4146.09, 0.00319136/step, 3.27434 hours remaining, 236.871094 MB of memory in use. ENERGY: 1306400 4031.6771 20532.5938 14503.8235 259.1742 -203495.4886 2612.3069 0.0000 0.0000 52206.5404 -109349.3726 300.0317 -161555.9130 -108983.8690 299.7740 184.7284 210.9259 761069.2634 6.5913 6.6200 PRESSURE: 1306600 -248.978 177.063 1.23191 177.064 -77.0625 -9.5587 1.23252 -9.5585 -180.64 GPRESSURE: 1306600 -247.557 191.5 29.9674 218.631 10.344 -98.3002 14.0594 -60.9708 -171.729 PRESSAVG: 1306600 29.2798 27.9383 4.65375 27.9384 -47.2155 -23.1823 4.65375 -23.1823 -1.87829 GPRESSAVG: 1306600 31.2608 28.1821 3.12899 28.675 -48.1824 -23.0839 7.37976 -23.904 -2.76193 TIMING: 1306600 CPU: 4146.73, 0.00320838/step Wall: 4146.73, 0.00320838/step, 3.29161 hours remaining, 236.871094 MB of memory in use. ENERGY: 1306600 4011.5361 20581.8482 14461.7637 252.6273 -203517.7131 2530.2844 0.0000 0.0000 52363.8627 -109315.7908 300.9358 -161679.6535 -108956.4654 299.5355 -168.8936 -136.3142 760076.6419 -6.6047 -6.5612 PRESSURE: 1306800 -339.435 -151.496 199.189 -151.497 -560.461 34.1127 199.189 34.1128 -109.782 GPRESSURE: 1306800 -329.56 -177.85 167.09 -167.076 -483.601 -63.6127 72.6647 63.628 -100.619 PRESSAVG: 1306800 35.5017 -7.22768 -1.2035 -7.22766 -0.562682 -40.7267 -1.20347 -40.7267 4.06415 GPRESSAVG: 1306800 35.0688 -5.34577 -1.94685 -9.08739 0.737218 -40.9465 -2.01716 -38.5364 3.42906 TIMING: 1306800 CPU: 4147.38, 0.00321638/step Wall: 4147.38, 0.00321638/step, 3.29965 hours remaining, 236.871094 MB of memory in use. ENERGY: 1306800 4074.5577 20574.6769 14457.4947 258.4206 -203101.5692 2335.7412 0.0000 0.0000 52299.2725 -109101.4057 300.5646 -161400.6782 -108736.9859 299.8798 -336.5592 -304.5935 760760.1348 13.0011 13.0784 PRESSURE: 1307000 163.318 -147.354 1.31425 -147.354 81.9419 275.305 1.31459 275.306 265.595 GPRESSURE: 1307000 211.768 -145.473 -58.0204 -116.363 156.873 268.287 -45.6836 231.37 247.128 PRESSAVG: 1307000 54.3663 -4.57328 12.9324 -4.57328 -24.1209 4.28286 12.9324 4.28288 4.55766 GPRESSAVG: 1307000 53.8917 -7.51253 13.229 -3.71673 -25.4903 7.20853 11.2226 0.573892 5.90002 TIMING: 1307000 CPU: 4148.02, 0.00320841/step Wall: 4148.02, 0.0032084/step, 3.29129 hours remaining, 236.871094 MB of memory in use. ENERGY: 1307000 3941.0430 20616.7339 14472.6852 238.6360 -203370.6713 2797.0011 0.0000 0.0000 52250.7307 -109053.8413 300.2857 -161304.5720 -108702.4663 300.1381 170.2851 205.2565 760948.4025 11.6010 11.4338 PRESSURE: 1307200 27.2904 55.2326 -44.873 55.2325 -100.216 109.442 -44.8723 109.442 -536.092 GPRESSURE: 1307200 118.34 29.3413 -94.0205 -72.9793 -106.09 71.7498 -33.3249 85.8527 -535.827 PRESSAVG: 1307200 12.1511 -21.2555 -33.594 -21.2554 5.54498 7.43305 -33.594 7.43302 8.65762 GPRESSAVG: 1307200 13.0344 -18.807 -32.8453 -21.579 4.88622 4.8052 -33.7949 11.4273 8.69996 TIMING: 1307200 CPU: 4148.66, 0.00321384/step Wall: 4148.66, 0.00321384/step, 3.29669 hours remaining, 236.871094 MB of memory in use. ENERGY: 1307200 4055.2862 20498.9202 14454.7525 255.4753 -203296.5931 2577.4329 0.0000 0.0000 52290.3145 -109164.4116 300.5132 -161454.7261 -108795.3594 299.6655 -203.0060 -174.5254 763052.5887 8.7846 8.8735 PRESSURE: 1307400 104.122 199.233 106.021 199.234 184.461 -37.6477 106.022 -37.6475 275.594 GPRESSURE: 1307400 206.448 81.6368 123.52 95.1955 97.9067 53.8477 143.681 -58.1115 350.795 PRESSAVG: 1307400 6.65535 -15.2757 -4.01714 -15.2756 -38.2633 29.0147 -4.01711 29.0146 -0.0972063 GPRESSAVG: 1307400 6.69435 -17.1715 -4.4863 -14.7202 -36.9239 30.3434 -0.278305 28.1014 -1.84177 TIMING: 1307400 CPU: 4149.31, 0.00322149/step Wall: 4149.31, 0.00322149/step, 3.30436 hours remaining, 236.871094 MB of memory in use. ENERGY: 1307400 4016.0767 20661.0239 14458.5380 256.4307 -203032.2315 2361.3675 0.0000 0.0000 52146.3395 -109132.4553 299.6857 -161278.7948 -108774.8222 299.5960 188.0593 218.3830 760851.0123 -10.5684 -10.6904 PRESSURE: 1307600 -436.287 -68.6974 -48.2535 -68.6979 -124.411 -37.7238 -48.2531 -37.7241 -69.1047 GPRESSURE: 1307600 -311.322 -81.6246 -57.0769 -22.8372 -133.6 -99.9076 -69.7238 -10.3664 -94.4806 PRESSAVG: 1307600 -19.2651 -48.2909 4.7759 -48.2909 -12.8235 -19.1103 4.77589 -19.1104 -20.3919 GPRESSAVG: 1307600 -20.2555 -47.5246 4.3632 -49.0397 -13.5248 -21.7699 1.4384 -18.4322 -18.6195 TIMING: 1307600 CPU: 4149.95, 0.00321961/step Wall: 4149.95, 0.00321961/step, 3.30224 hours remaining, 236.871094 MB of memory in use. ENERGY: 1307600 4008.3254 20575.6748 14461.2165 232.2983 -202850.5640 2310.1388 0.0000 0.0000 51978.4981 -109284.4121 298.7211 -161262.9101 -108914.1207 299.8549 -209.9342 -179.8008 763207.9397 -17.4935 -17.4666 PRESSURE: 1307800 321.594 -332.944 -423.851 -332.944 -77.3863 -158.919 -423.851 -158.919 104.765 GPRESSURE: 1307800 348.423 -191.056 -292.53 -296.459 39.2874 -88.267 -467.766 -168.624 50.8943 PRESSAVG: 1307800 -32.3857 -24.2688 -19.9813 -24.2689 91.2965 -35.9906 -19.9813 -35.9907 -28.2294 GPRESSAVG: 1307800 -32.3432 -23.6231 -18.558 -26.9428 93.2756 -34.9837 -18.3414 -36.8112 -29.5248 TIMING: 1307800 CPU: 4150.59, 0.00321268/step Wall: 4150.59, 0.00321268/step, 3.29496 hours remaining, 236.871094 MB of memory in use. ENERGY: 1307800 3961.8128 20607.6300 14465.2771 251.3921 -203129.3741 2587.4310 0.0000 0.0000 52115.0143 -109140.8167 299.5057 -161255.8310 -108780.8552 299.4188 116.3242 146.2015 762522.7574 10.2272 10.4692 PRESSURE: 1308000 4.60283 -84.8903 -4.07354 -84.8912 -66.7851 57.386 -4.07414 57.3866 -131.745 GPRESSURE: 1308000 87.5015 -33.077 64.271 -103.75 -90.5634 -62.7786 -107.549 25.6202 -113.339 PRESSAVG: 1308000 6.10041 -60.6958 16.3337 -60.6958 34.5688 16.6869 16.3337 16.687 -6.99459 GPRESSAVG: 1308000 7.26623 -59.0617 17.5622 -59.5622 31.9425 17.299 16.0977 18.0177 -6.2983 TIMING: 1308000 CPU: 4151.23, 0.00319505/step Wall: 4151.23, 0.00319505/step, 3.2767 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1308000 4022.8100 20446.3317 14562.7025 238.0196 -203279.7878 2665.4361 0.0000 0.0000 52039.1418 -109305.3460 299.0697 -161344.4878 -108942.3126 299.6347 -64.6426 -38.8002 761942.4308 11.2249 10.9701 PRESSURE: 1308200 -274.817 15.9392 122.748 15.9392 -122.956 5.30343 122.747 5.30196 91.3255 GPRESSURE: 1308200 -218.842 55.9371 180.596 15.745 -72.2365 44.5856 151.139 45.4521 72.5547 PRESSAVG: 1308200 49.9875 -63.7324 21.3952 -63.7325 -18.7231 -14.7577 21.3952 -14.7577 5.35783 GPRESSAVG: 1308200 48.4478 -63.4865 19.973 -64.3541 -18.6104 -16.1633 22.2376 -14.4434 6.3457 TIMING: 1308200 CPU: 4151.86, 0.00316725/step Wall: 4151.86, 0.00316725/step, 3.24802 hours remaining, 236.871094 MB of memory in use. ENERGY: 1308200 3968.7204 20637.5502 14474.5476 250.4097 -202954.4060 2481.2750 0.0000 0.0000 51936.6433 -109205.2598 298.4806 -161141.9031 -108846.4187 299.5849 -102.1492 -72.8413 761044.8870 12.2074 12.0610 LDB: ============= START OF LOAD BALANCING ============== 4164.32 LDB: ============== END OF LOAD BALANCING =============== 4164.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4164.32 LDB: ============= START OF LOAD BALANCING ============== 4164.65 LDB: Largest compute 7068 load 0.037475 is 19.2% of average load 0.195087 LDB: Average compute 0.004414 is 2.3% of average load 0.195087 LDB: TIME 4164.65 LOAD: AVG 0.195087 MAX 0.216205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 4164.65 LOAD: AVG 0.195087 MAX 0.216205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 4164.65 LOAD: AVG 0.195087 MAX 0.216205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 4164.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4164.66 PRESSURE: 1308400 155.779 109.767 136.821 109.766 548.72 90.9953 136.821 90.9951 195.22 GPRESSURE: 1308400 234.996 118.004 77.6197 109.913 530.287 240.593 307.54 33.3986 228.67 PRESSAVG: 1308400 -52.7521 -55.4622 -3.02008 -55.4622 63.314 17.7671 -3.02002 17.7671 0.76473 GPRESSAVG: 1308400 -52.7351 -58.7753 -2.55155 -54.0817 64.0846 17.9681 -2.64123 17.3025 0.337335 TIMING: 1308400 CPU: 4152.52, 0.00328408/step Wall: 4152.52, 0.00328408/step, 3.36764 hours remaining, 238.281250 MB of memory in use. ENERGY: 1308400 4031.4770 20627.7384 14518.4553 237.7459 -203414.9156 2953.0800 0.0000 0.0000 51921.7471 -109124.6719 298.3950 -161046.4190 -108759.8085 299.2498 299.9062 331.3178 762181.3644 3.7755 3.8956 PRESSURE: 1308600 62.699 -61.4883 -176.71 -61.489 -153.39 -62.0178 -176.709 -62.0177 123.049 GPRESSURE: 1308600 79.0164 -84.9058 -122.826 -46.3932 -130.354 -137.423 -154.917 -17.5431 147.809 PRESSAVG: 1308600 -47.6225 -19.8353 -14.3613 -19.8354 15.2524 -34.4406 -14.3613 -34.4406 -18.2231 GPRESSAVG: 1308600 -47.1597 -20.8675 -14.2028 -20.5591 14.6202 -33.932 -14.7233 -35.1539 -18.1847 TIMING: 1308600 CPU: 4153.16, 0.00320746/step Wall: 4153.16, 0.00320746/step, 3.2889 hours remaining, 238.281250 MB of memory in use. ENERGY: 1308600 3973.3192 20498.3237 14399.3627 232.3601 -203077.4069 2636.0257 0.0000 0.0000 52231.3181 -109106.6974 300.1741 -161338.0155 -108749.2937 300.1667 10.7860 32.1572 763798.3108 -16.8644 -16.9081 PRESSURE: 1308800 -97.9046 -23.2915 96.2863 -23.2914 -147.14 90.0234 96.2858 90.0225 -6.70527 GPRESSURE: 1308800 -89.0044 -126.698 157.85 -45.7708 -91.9001 3.09309 68.8329 295.584 24.1529 PRESSAVG: 1308800 9.44114 -69.451 -5.55524 -69.451 10.1748 28.8025 -5.55528 28.8025 24.1166 GPRESSAVG: 1308800 9.61431 -66.094 -6.11336 -70.3802 10.0512 27.1765 -5.92114 30.6501 24.4907 TIMING: 1308800 CPU: 4153.8, 0.00320768/step Wall: 4153.8, 0.00320767/step, 3.28894 hours remaining, 238.281250 MB of memory in use. ENERGY: 1308800 3887.4935 20512.1646 14469.2705 249.5850 -203116.9901 2696.8261 0.0000 0.0000 52058.0484 -109243.6020 299.1783 -161301.6504 -108882.5744 299.4679 -83.9165 -52.2505 763781.9906 14.5775 14.7187 PRESSURE: 1309000 139.126 48.334 38.8511 48.3344 -131.27 259.969 38.8515 259.97 -187.149 GPRESSURE: 1309000 209.587 49.148 27.5007 116.164 -177.964 225.104 52.372 166.949 -128.063 PRESSAVG: 1309000 12.6967 -33.4379 -3.75046 -33.4379 -17.0362 46.2076 -3.75043 46.2077 -14.729 GPRESSAVG: 1309000 12.8224 -34.109 -3.37025 -32.1595 -16.5357 47.1638 -3.40333 44.2982 -15.2706 TIMING: 1309000 CPU: 4154.44, 0.00318507/step Wall: 4154.44, 0.00318507/step, 3.26558 hours remaining, 238.281250 MB of memory in use. ENERGY: 1309000 4051.4292 20535.2011 14390.7567 236.6995 -202824.0842 2372.5411 0.0000 0.0000 51971.6238 -109265.8328 298.6816 -161237.4565 -108901.7820 299.0086 -59.7642 -32.1466 761316.5044 -6.3562 -6.3280 PRESSURE: 1309200 -180.321 6.91794 97.7953 6.91809 -37.1361 -7.97876 97.795 -7.97876 100.679 GPRESSURE: 1309200 -109.794 -40.7056 62.4329 58.4695 -34.2975 -41.1943 158.67 4.26551 102.182 PRESSAVG: 1309200 4.12785 12.1423 16.225 12.1423 58.2753 -4.87648 16.225 -4.87643 15.7278 GPRESSAVG: 1309200 2.77927 12.7842 16.3112 11.3926 58.2727 -4.46899 16.4123 -3.9576 16.8614 TIMING: 1309200 CPU: 4155.08, 0.0031941/step Wall: 4155.08, 0.0031941/step, 3.27467 hours remaining, 238.281250 MB of memory in use. ENERGY: 1309200 4015.8955 20397.4769 14472.5821 269.3281 -203167.5488 2583.6754 0.0000 0.0000 51826.4386 -109602.1521 297.8473 -161428.5907 -109246.0235 298.8176 -38.9261 -13.9698 761890.9755 26.0436 25.9711 PRESSURE: 1309400 77.1583 158.556 -191.43 158.556 -118.1 278.96 -191.43 278.96 286.38 GPRESSURE: 1309400 115.516 265.516 -173.336 177.449 -125.559 230.102 -80.1538 289.34 341.223 PRESSAVG: 1309400 34.9329 -2.44352 0.676909 -2.44347 -7.90367 -0.0924046 0.676893 -0.0924268 7.71312 GPRESSAVG: 1309400 37.068 -2.42166 0.931173 -1.3119 -8.02539 -0.0170464 0.93533 -2.031 5.59831 TIMING: 1309400 CPU: 4155.72, 0.00319672/step Wall: 4155.72, 0.00319672/step, 3.27717 hours remaining, 238.281250 MB of memory in use. ENERGY: 1309400 3961.7232 20575.5697 14499.3474 252.8884 -203448.2910 2789.2449 0.0000 0.0000 51865.6177 -109503.8996 298.0724 -161369.5173 -109145.8773 298.7793 81.8128 110.3933 761304.6045 11.5808 11.5470 PRESSURE: 1309600 223.65 -160.612 51.3469 -160.612 111.244 -80.8932 51.3468 -80.8929 86.4402 GPRESSURE: 1309600 205.273 -255.662 184.235 -307.725 115.213 -77.2033 -16.6383 36.0468 187.751 PRESSAVG: 1309600 40.6278 -19.932 -40.2519 -19.9319 31.0476 -10.6854 -40.2518 -10.6854 4.40238 GPRESSAVG: 1309600 40.7971 -20.9886 -39.7025 -22.0033 30.0611 -10.1197 -40.9647 -12.0893 5.34521 TIMING: 1309600 CPU: 4156.35, 0.00317594/step Wall: 4156.35, 0.00317594/step, 3.25569 hours remaining, 238.281250 MB of memory in use. ENERGY: 1309600 3865.6005 20592.6595 14487.7899 270.2422 -203999.8258 2813.6309 0.0000 0.0000 52340.0213 -109629.8815 300.7988 -161969.9028 -109260.1821 299.0295 140.4447 169.4123 759213.6399 25.3593 25.4011 PRESSURE: 1309800 -157.102 -148.26 -15.5998 -148.26 -7.72323 30.554 -15.5995 30.5548 -354.874 GPRESSURE: 1309800 -200.193 -92.6698 -54.4811 -180.578 -20.8007 81.9686 -4.81203 33.6778 -225.406 PRESSAVG: 1309800 -15.689 6.4892 -30.3256 6.48924 7.46833 -1.67247 -30.3256 -1.67243 16.336 GPRESSAVG: 1309800 -15.6058 8.03538 -29.7383 6.16069 6.98996 -3.4867 -31.8947 1.97939 16.8235 TIMING: 1309800 CPU: 4156.99, 0.00319783/step Wall: 4156.99, 0.00319783/step, 3.27795 hours remaining, 238.281250 MB of memory in use. ENERGY: 1309800 4044.0072 20651.8535 14454.5524 245.2011 -203397.1471 2504.7020 0.0000 0.0000 52014.1521 -109482.6789 298.9260 -161496.8310 -109127.6828 299.0308 -173.2330 -148.7999 761079.2307 2.7051 2.7359 PRESSURE: 1310000 167.573 -25.2138 71.8974 -25.2139 377.788 65.1386 71.8968 65.1377 618.437 GPRESSURE: 1310000 270.964 -69.8485 167.403 -19.4198 396.144 191.913 -6.22623 134.798 575.942 PRESSAVG: 1310000 24.6037 -47.1978 -39.6309 -47.1979 -22.6318 40.5592 -39.6308 40.5592 10.6513 GPRESSAVG: 1310000 23.6795 -48.3334 -41.3751 -45.3093 -21.6753 41.9692 -37.2097 36.7017 10.348 TIMING: 1310000 CPU: 4157.64, 0.00320846/step Wall: 4157.64, 0.00320846/step, 3.28867 hours remaining, 238.281250 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: 1310000 3865.0085 20523.8656 14491.1812 244.8100 -203759.5441 2852.5893 0.0000 0.0000 52178.0735 -109604.0161 299.8681 -161782.0896 -109233.6887 299.0988 387.9327 414.3499 760049.8464 4.2077 4.1174 PRESSURE: 1310200 570.932 72.9589 20.9465 72.9597 166.336 107.475 20.946 107.474 146.259 GPRESSURE: 1310200 560.106 107.149 68.8916 72.6192 254.204 50.9617 7.24295 60.4813 157.64 PRESSAVG: 1310200 25.929 6.07732 -3.27373 6.07734 -10.0664 25.9529 -3.27374 25.9529 -2.63761 GPRESSAVG: 1310200 25.316 5.69719 -3.04193 5.65256 -8.89697 26.2963 -4.13172 26.9592 -3.11647 TIMING: 1310200 CPU: 4158.28, 0.00320517/step Wall: 4158.28, 0.00320517/step, 3.28512 hours remaining, 238.281250 MB of memory in use. ENERGY: 1310200 3948.6989 20654.5297 14540.4313 258.8269 -203877.8812 2986.0332 0.0000 0.0000 51814.1786 -109675.1825 297.7768 -161489.3611 -109318.7675 298.8874 294.5089 323.9834 760311.2294 4.4083 4.4342 PRESSURE: 1310400 263.101 -29.5393 -296.714 -29.539 86.0163 -151.061 -296.714 -151.06 479.137 GPRESSURE: 1310400 283.143 -57.289 -258.974 -131.194 172.641 -142.16 -280.253 -52.8297 460.867 PRESSAVG: 1310400 10.9652 -0.816227 10.3469 -0.816292 15.9241 37.3742 10.3469 37.3743 -26.9973 GPRESSAVG: 1310400 11.365 0.023603 11.091 -2.68985 14.6067 35.7919 8.79047 37.6483 -26.2383 TIMING: 1310400 CPU: 4158.92, 0.00320666/step Wall: 4158.92, 0.00320667/step, 3.28648 hours remaining, 238.281250 MB of memory in use. ENERGY: 1310400 3973.2431 20471.8770 14427.9602 256.4270 -203362.3922 2675.1366 0.0000 0.0000 52286.9832 -109270.7651 300.4940 -161557.7483 -108898.7001 299.4595 276.0847 305.5505 761174.0683 -0.0360 -0.0888 PRESSURE: 1310600 -185.43 -242.11 28.1824 -242.109 -229.315 47.558 28.1818 47.5583 -351.774 GPRESSURE: 1310600 -88.0672 -172.841 41.6362 -264.584 -269.904 -76.8217 -113.756 -3.98623 -325.287 PRESSAVG: 1310600 32.9444 -4.86494 -11.5382 -4.86495 -17.4295 -33.9622 -11.5382 -33.9622 -6.80524 GPRESSAVG: 1310600 32.3566 -3.57683 -11.9067 -4.44865 -16.1702 -34.4298 -12.3141 -32.4829 -6.79852 TIMING: 1310600 CPU: 4159.56, 0.00319348/step Wall: 4159.56, 0.00319348/step, 3.27278 hours remaining, 238.281250 MB of memory in use. ENERGY: 1310600 4024.3454 20394.2337 14487.2710 231.2558 -203345.3892 2657.6773 0.0000 0.0000 52286.2886 -109264.3176 300.4900 -161550.6062 -108893.4088 299.4739 -255.5064 -227.7527 763444.1746 2.9032 3.1293 PRESSURE: 1310800 40.6369 -21.6907 28.3421 -21.6917 192.656 -161.408 28.3434 -161.407 -207.569 GPRESSURE: 1310800 77.7808 -30.1619 -48.1483 13.7018 235.914 -175.834 126.018 -197.721 -199.801 PRESSAVG: 1310800 7.97915 -56.1124 0.374625 -56.1123 5.43568 -33.6194 0.374549 -33.6194 7.80225 GPRESSAVG: 1310800 9.0531 -57.9373 1.7332 -55.2614 4.81271 -31.9751 2.0228 -35.4168 7.38444 TIMING: 1310800 CPU: 4160.19, 0.00318082/step Wall: 4160.19, 0.00318082/step, 3.25963 hours remaining, 238.281250 MB of memory in use. ENERGY: 1310800 3985.0788 20472.2628 14502.2754 232.6274 -203513.6857 2546.0178 0.0000 0.0000 52383.6328 -109391.7907 301.0495 -161775.4236 -109018.8536 299.1470 8.5749 37.9646 761577.7915 7.0724 7.0834 PRESSURE: 1311000 140.068 -159.848 262.254 -159.848 -255.568 101.009 262.253 101.009 -35.1 GPRESSURE: 1311000 179.589 -108.892 276.943 -109.707 -153.146 -19.8847 124.548 161.747 -107.814 PRESSAVG: 1311000 24.2933 -38.761 -42.7639 -38.7611 -39.3754 -22.8749 -42.7639 -22.8749 -2.50036 GPRESSAVG: 1311000 23.3517 -39.7686 -44.5032 -37.3011 -39.4666 -22.4267 -43.0634 -22.0198 -1.97649 TIMING: 1311000 CPU: 4160.83, 0.00316219/step Wall: 4160.83, 0.00316219/step, 3.24036 hours remaining, 238.281250 MB of memory in use. ENERGY: 1311000 4013.9227 20563.7857 14433.6823 247.7513 -203459.9112 2735.2513 0.0000 0.0000 52046.8340 -109418.6838 299.1139 -161465.5178 -109062.3367 299.3717 -50.1999 -27.1237 761473.6993 -5.8608 -6.0304 PRESSURE: 1311200 -39.3473 -172.993 -90.8033 -172.994 -60.2158 113.513 -90.8024 113.512 -71.1686 GPRESSURE: 1311200 25.4531 -237.961 -228.896 -205.087 -72.0377 141.405 -138.471 90.17 -52.932 PRESSAVG: 1311200 36.5206 -20.9366 -3.12068 -20.9367 -60.0885 2.29055 -3.12068 2.29051 -12.5163 GPRESSAVG: 1311200 36.2277 -20.0461 -3.68573 -22.7221 -60.5231 1.83152 -3.73426 1.60676 -11.3777 TIMING: 1311200 CPU: 4161.47, 0.00319737/step Wall: 4161.47, 0.00319737/step, 3.27624 hours remaining, 238.281250 MB of memory in use. ENERGY: 1311200 3947.7025 20566.6164 14444.3735 260.5102 -203404.9728 2603.5753 0.0000 0.0000 52133.2729 -109448.9220 299.6106 -161582.1949 -109083.1064 299.5535 -56.9106 -33.1722 760836.5470 -12.0281 -11.8910 PRESSURE: 1311400 -20.3921 -56.1083 12.6698 -56.1089 -239.843 -18.9556 12.6697 -18.9558 -115.738 GPRESSURE: 1311400 -4.51804 -209.057 -18.2207 -72.5374 -124.175 20.2897 -22.4537 42.2202 -193.846 PRESSAVG: 1311400 107.878 -73.505 -25.6184 -73.505 -50.7073 64.4142 -25.6183 64.4142 -17.3012 GPRESSAVG: 1311400 108.277 -73.9831 -25.0307 -73.4199 -50.0695 65.4232 -24.3412 65.7255 -18.1349 TIMING: 1311400 CPU: 4162.1, 0.00319403/step Wall: 4162.1, 0.00319403/step, 3.27264 hours remaining, 238.281250 MB of memory in use. ENERGY: 1311400 4006.4901 20449.3205 14395.6525 237.8637 -203246.5296 2610.0356 0.0000 0.0000 52131.7777 -109415.3896 299.6020 -161547.1673 -109044.5114 299.2032 -125.3245 -107.5131 760720.6479 13.2900 13.3577 PRESSURE: 1311600 310.351 -158.056 -220.947 -158.057 -96.2127 53.9265 -220.947 53.9263 -34.3901 GPRESSURE: 1311600 284.684 -93.1785 -201.593 -76.4212 -74.1631 66.8594 -185.093 19.0986 44.8461 PRESSAVG: 1311600 58.1584 -46.8277 9.6404 -46.8277 -54.7594 48.7321 9.64037 48.7322 20.3605 GPRESSAVG: 1311600 58.6578 -46.942 9.99177 -46.0968 -54.9987 48.3676 9.02399 46.4404 19.8975 TIMING: 1311600 CPU: 4162.74, 0.00317229/step Wall: 4162.74, 0.00317229/step, 3.25019 hours remaining, 238.281250 MB of memory in use. ENERGY: 1311600 3962.3047 20447.3209 14423.4104 221.7014 -203518.5892 2735.1894 0.0000 0.0000 52349.1190 -109379.5434 300.8511 -161728.6624 -109021.6064 298.8517 59.9162 85.1224 760526.5445 7.9198 7.8522 PRESSURE: 1311800 -306.611 -68.1825 -54.3432 -68.1827 -287.277 -421.739 -54.3432 -421.738 -183.376 GPRESSURE: 1311800 -293.262 -8.4892 -77.6398 -0.739138 -247.712 -401.534 -87.6588 -409.036 -149.867 PRESSAVG: 1311800 32.4218 -51.0053 3.11512 -51.0054 6.74614 18.6074 3.11519 18.6074 -4.27318 GPRESSAVG: 1311800 32.919 -49.4584 2.92818 -50.523 6.3391 19.26 2.41866 19.9311 -4.1575 TIMING: 1311800 CPU: 4163.37, 0.00318097/step Wall: 4163.37, 0.00318097/step, 3.25891 hours remaining, 238.281250 MB of memory in use. ENERGY: 1311800 3971.3905 20550.0390 14449.3848 245.9234 -202819.9428 2307.9697 0.0000 0.0000 52094.4489 -109200.7865 299.3875 -161295.2355 -108841.6402 299.8333 -259.0881 -230.2804 760138.2178 11.6316 11.7002 PRESSURE: 1312000 -317.734 266.003 -36.0729 266.003 -373.444 167.829 -36.0734 167.83 112.895 GPRESSURE: 1312000 -257.883 142.837 21.4584 219.385 -414.433 229.749 15.9553 146.737 157.385 PRESSAVG: 1312000 58.4291 -2.5623 -1.36481 -2.56235 -62.7677 -74.908 -1.36486 -74.908 -14.8547 GPRESSAVG: 1312000 60.5382 -3.13615 -1.94081 -3.22684 -65.5608 -74.4512 -0.0376049 -76.1333 -14.8562 TIMING: 1312000 CPU: 4164.01, 0.00319654/step Wall: 4164.01, 0.00319654/step, 3.27467 hours remaining, 238.281250 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: 1312000 4007.1960 20564.7099 14509.1167 240.1284 -202854.8666 2202.3784 0.0000 0.0000 52274.5760 -109056.7612 300.4227 -161331.3372 -108701.4259 299.8820 -192.7606 -171.6434 762729.4843 -6.3978 -6.6263 PRESSURE: 1312200 281.541 -66.0915 -30.3218 -66.0925 -41.0598 -61.2683 -30.3214 -61.2686 308.806 GPRESSURE: 1312200 317.706 -49.393 -56.9156 -159.773 24.447 -83.4171 -98.5166 -184.315 309.662 PRESSAVG: 1312200 30.1892 -46.5562 -30.1785 -46.5561 -14.8042 -10.9079 -30.1785 -10.9079 3.77545 GPRESSAVG: 1312200 27.8866 -46.28 -30.0101 -49.0842 -12.9525 -11.5837 -30.267 -10.004 4.62844 TIMING: 1312200 CPU: 4164.66, 0.00321617/step Wall: 4164.66, 0.00321617/step, 3.29461 hours remaining, 238.281250 MB of memory in use. ENERGY: 1312200 3952.4032 20795.5025 14451.4535 239.5548 -203358.4871 2741.0574 0.0000 0.0000 52153.4590 -109025.0566 299.7266 -161178.5156 -108663.2879 300.1708 183.0955 217.2714 760762.0300 6.3868 6.5208 LDB: ============= START OF LOAD BALANCING ============== 4177.12 LDB: ============== END OF LOAD BALANCING =============== 4177.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4177.12 LDB: ============= START OF LOAD BALANCING ============== 4177.44 LDB: Largest compute 7059 load 0.037735 is 19.3% of average load 0.195110 LDB: Average compute 0.004413 is 2.3% of average load 0.195110 LDB: TIME 4177.44 LOAD: AVG 0.19511 MAX 0.219214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4177.44 LOAD: AVG 0.19511 MAX 0.219214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: TIME 4177.44 LOAD: AVG 0.19511 MAX 0.216363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: ============== END OF LOAD BALANCING =============== 4177.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4177.45 PRESSURE: 1312400 -56.5079 -188.12 85.28 -188.12 292.533 -88.1373 85.2798 -88.1381 -391.742 GPRESSURE: 1312400 -13.2233 -154.472 95.2322 -149.693 292.117 9.78487 53.0164 -194.318 -334.237 PRESSAVG: 1312400 -27.1867 -29.3756 38.9247 -29.3756 -8.11465 -9.41925 38.9247 -9.41932 7.12683 GPRESSAVG: 1312400 -27.8902 -28.5443 39.6336 -24.736 -7.131 -9.08038 36.9485 -9.64941 7.72328 TIMING: 1312400 CPU: 4165.31, 0.00326458/step Wall: 4165.31, 0.00326458/step, 3.34402 hours remaining, 238.980469 MB of memory in use. ENERGY: 1312400 3993.9803 20690.0063 14434.1658 237.2559 -203042.0531 2518.2846 0.0000 0.0000 52191.5013 -108976.8589 299.9453 -161168.3603 -108625.9036 299.8956 -51.9056 -18.4479 759446.1896 -9.3915 -9.0993 PRESSURE: 1312600 -193.043 27.0545 191.858 27.0544 -357.283 30.372 191.858 30.3722 -647.464 GPRESSURE: 1312600 -265.684 13.7869 123.58 -184.811 -292.583 58.0995 123.76 -109.569 -558.434 PRESSAVG: 1312600 23.6849 -47.1564 -38.347 -47.1564 -10.908 -6.13263 -38.347 -6.1326 -12.0535 GPRESSAVG: 1312600 24.2769 -46.484 -37.8075 -49.551 -11.5129 -7.0054 -37.3852 -6.13329 -12.4517 TIMING: 1312600 CPU: 4165.95, 0.00320008/step Wall: 4165.95, 0.00320008/step, 3.27777 hours remaining, 238.980469 MB of memory in use. ENERGY: 1312600 4074.4856 20623.4761 14541.9082 262.6422 -202884.7999 2266.8417 0.0000 0.0000 52122.8525 -108992.5936 299.5507 -161115.4461 -108639.9449 300.2146 -399.2636 -372.2336 761105.2275 0.2411 0.1041 PRESSURE: 1312800 -228.875 104.53 81.7752 104.53 -161.714 -102.561 81.7756 -102.561 -155.817 GPRESSURE: 1312800 -250.84 99.9106 22.1197 -12.8573 -66.761 -168.284 81.3242 9.77625 -138.314 PRESSAVG: 1312800 -39.1199 -43.7076 60.0475 -43.7076 25.3122 -32.6474 60.0476 -32.6474 5.71554 GPRESSAVG: 1312800 -39.2324 -48.8784 60.036 -43.6756 26.7472 -35.2534 60.2651 -32.0586 4.51203 TIMING: 1312800 CPU: 4166.59, 0.0031939/step Wall: 4166.59, 0.0031939/step, 3.27126 hours remaining, 238.980469 MB of memory in use. ENERGY: 1312800 4083.8187 20557.1995 14493.6266 253.0788 -202917.5958 2223.6392 0.0000 0.0000 52315.9240 -108990.3092 300.6603 -161306.2332 -108630.0375 300.7693 -182.1354 -151.9717 760933.4843 -2.6974 -2.6577 PRESSURE: 1313000 -390.196 192.785 141.225 192.785 -2.91484 -39.157 141.226 -39.1565 236.752 GPRESSURE: 1313000 -320.919 258.884 92.8134 129.233 5.63982 -28.9205 184.883 45.9584 231.414 PRESSAVG: 1313000 0.572489 -59.5442 36.2319 -59.5441 25.4323 -51.2829 36.2319 -51.2828 13.7029 GPRESSAVG: 1313000 0.965925 -57.5788 35.9429 -59.6493 24.5407 -49.11 36.7657 -48.9117 13.6895 TIMING: 1313000 CPU: 4167.23, 0.00320456/step Wall: 4167.23, 0.00320456/step, 3.282 hours remaining, 238.980469 MB of memory in use. ENERGY: 1313000 4070.6761 20625.0438 14532.4748 253.7952 -203261.8838 2495.3976 0.0000 0.0000 52190.4668 -109094.0295 299.9393 -161284.4963 -108722.4744 300.6669 -52.1194 -27.9551 760246.8780 13.2359 13.0654 PRESSURE: 1313200 87.6878 -128.63 45.2968 -128.63 278.979 70.2617 45.2969 70.262 -100.577 GPRESSURE: 1313200 121.339 -63.3953 90.573 -122.461 223.477 -5.53547 16.91 112.466 -1.98276 PRESSAVG: 1313200 19.3434 -42.7685 7.13495 -42.7685 -33.0391 37.7477 7.13498 37.7477 -14.3631 GPRESSAVG: 1313200 18.8777 -42.0439 7.17138 -41.4279 -34.2782 37.2218 7.9847 35.7555 -13.1937 TIMING: 1313200 CPU: 4167.87, 0.00320302/step Wall: 4167.87, 0.00320302/step, 3.28025 hours remaining, 238.980469 MB of memory in use. ENERGY: 1313200 3978.9026 20675.1853 14456.9956 243.4063 -203144.4682 2732.1570 0.0000 0.0000 51837.4138 -109220.4076 297.9103 -161057.8214 -108854.1326 299.5836 88.6964 114.2777 761340.0087 -9.3529 -9.5314 PRESSURE: 1313400 -300.717 -250.577 149.52 -250.578 -111.339 59.5716 149.519 59.5723 281.145 GPRESSURE: 1313400 -328.302 -278.653 3.36955 -288.781 -31.4117 66.7886 136.909 -25.6795 320.35 PRESSAVG: 1313400 -6.99804 -96.2874 34.4076 -96.2875 24.0714 20.3601 34.4076 20.36 -19.1912 GPRESSAVG: 1313400 -7.64503 -93.8245 35.5351 -97.2118 25.6902 21.5809 30.3657 19.9236 -20.1624 TIMING: 1313400 CPU: 4168.51, 0.00320154/step Wall: 4168.51, 0.00320154/step, 3.27855 hours remaining, 238.980469 MB of memory in use. ENERGY: 1313400 3992.7724 20570.1473 14481.5781 243.0603 -203154.2466 2623.9716 0.0000 0.0000 52059.7991 -109182.9178 299.1884 -161242.7170 -108814.0332 299.5446 -43.6371 -13.1212 761642.7086 -0.7059 -0.7057 PRESSURE: 1313600 -141.869 -58.6419 -51.475 -58.6425 95.0485 -27.6143 -51.4744 -27.6142 -194.662 GPRESSURE: 1313600 -114.761 -88.9159 -168.573 -60.8939 147.919 6.26512 -54.7054 -50.4383 -177.437 PRESSAVG: 1313600 -42.04 -94.5178 3.81069 -94.5178 48.4838 -2.08833 3.81071 -2.08845 24.8376 GPRESSAVG: 1313600 -42.3341 -95.5102 2.34842 -94.2732 47.9643 -3.06621 7.53496 -0.436066 25.0197 TIMING: 1313600 CPU: 4169.15, 0.00320014/step Wall: 4169.15, 0.00320014/step, 3.27694 hours remaining, 238.980469 MB of memory in use. ENERGY: 1313600 4102.8622 20457.4406 14504.2625 244.2081 -203459.4142 2777.2254 0.0000 0.0000 51987.3824 -109386.0329 298.7722 -161373.4152 -109023.5138 299.3622 -80.4942 -48.0932 762110.0119 10.4271 10.2166 PRESSURE: 1313800 9.70842 -174.498 -99.7658 -174.499 -116.212 40.8224 -99.766 40.8222 -431.904 GPRESSURE: 1313800 10.0188 -88.0276 -69.2074 -144.298 12.7611 205.455 -11.5043 -50.0288 -467.352 PRESSAVG: 1313800 -25.9723 -20.6467 4.98884 -20.6467 35.3444 77.0011 4.98882 77.0011 -10.94 GPRESSAVG: 1313800 -25.9311 -19.7821 5.54115 -20.5631 35.7675 76.2408 3.85813 77.707 -11.7583 TIMING: 1313800 CPU: 4169.8, 0.00323741/step Wall: 4169.8, 0.00323741/step, 3.31493 hours remaining, 238.980469 MB of memory in use. ENERGY: 1313800 4092.6136 20460.8646 14498.6573 245.3386 -202862.4082 2500.2491 0.0000 0.0000 51923.7067 -109140.9783 298.4063 -161064.6850 -108784.7801 299.4519 -179.4693 -148.1907 762289.9560 -0.5227 -0.6407 PRESSURE: 1314000 -109.03 -214.886 -129.317 -214.886 187.368 205.383 -129.316 205.382 -108.729 GPRESSURE: 1314000 10.6027 -198.107 -146.47 -171.37 119.826 135.154 -14.9903 175.36 -112.232 PRESSAVG: 1314000 -21.8644 -49.4155 -22.7963 -49.4155 7.36316 59.0576 -22.7963 59.0576 -5.73926 GPRESSAVG: 1314000 -22.067 -49.8522 -23.5581 -50.8623 7.75052 59.365 -20.015 56.8538 -5.93352 TIMING: 1314000 CPU: 4170.45, 0.00323336/step Wall: 4170.45, 0.00323336/step, 3.3106 hours remaining, 238.980469 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: 1314000 3906.3264 20510.0882 14526.2563 238.3302 -202985.3357 2580.6217 0.0000 0.0000 52057.5180 -109166.1948 299.1753 -161223.7128 -108807.0298 299.6951 -10.1300 6.0655 765078.2951 -6.7468 -6.7500 PRESSURE: 1314200 198.099 -109.804 132.861 -109.803 -137.536 143.623 132.86 143.622 189.931 GPRESSURE: 1314200 114.321 -17.1829 157.463 -140.634 -2.02814 181.571 84.2853 109.374 216.837 PRESSAVG: 1314200 1.01265 -53.7406 -48.3333 -53.7406 -10.459 45.0063 -48.3334 45.0063 -9.8567 GPRESSAVG: 1314200 0.906733 -53.4761 -48.1307 -52.9387 -9.86413 45.6459 -53.7589 46.4187 -9.78753 TIMING: 1314200 CPU: 4171.09, 0.00324014/step Wall: 4171.09, 0.00324014/step, 3.31736 hours remaining, 238.980469 MB of memory in use. ENERGY: 1314200 3958.7189 20662.8909 14571.3182 265.5657 -202892.2798 2435.6441 0.0000 0.0000 51990.5729 -109007.5690 298.7905 -160998.1419 -108645.9003 299.3710 83.4980 109.7100 763056.2957 -6.4343 -6.2483 PRESSURE: 1314400 -389.715 -105.21 -242.159 -105.21 253.658 88.4153 -242.159 88.4169 -24.4924 GPRESSURE: 1314400 -351.888 -71.7692 -244.207 5.35503 241.149 73.557 -189.893 268.485 -1.40383 PRESSAVG: 1314400 20.3466 -57.5432 25.7267 -57.5432 -50.7821 18.3141 25.7268 18.3142 -3.08164 GPRESSAVG: 1314400 19.965 -58.7569 25.4099 -58.3228 -51.2813 16.4413 27.4003 19.3775 -2.69203 TIMING: 1314400 CPU: 4171.73, 0.00318715/step Wall: 4171.73, 0.00318715/step, 3.26293 hours remaining, 238.980469 MB of memory in use. ENERGY: 1314400 4020.6731 20802.4288 14501.7533 254.7383 -203167.0734 2547.5749 0.0000 0.0000 52057.6432 -108982.2620 299.1760 -161039.9051 -108617.3711 299.9342 -53.5165 -37.3808 763761.1707 -11.1724 -11.3361 PRESSURE: 1314600 -205.884 -155.448 -142.504 -155.448 -164.6 -140.172 -142.505 -140.173 -151.014 GPRESSURE: 1314600 -150.318 -194.955 -120.618 -139.451 -131.121 -76.6048 -2.15343 -0.986001 -167.037 PRESSAVG: 1314600 -17.4499 -8.51535 48.0056 -8.5154 43.4206 40.9781 48.0055 40.9781 -0.160552 GPRESSAVG: 1314600 -14.8163 -8.38458 48.5616 -5.7497 41.2919 42.8868 49.6594 40.2859 -0.608688 TIMING: 1314600 CPU: 4172.38, 0.00322599/step Wall: 4172.38, 0.00322599/step, 3.30251 hours remaining, 238.980469 MB of memory in use. ENERGY: 1314600 4042.0588 20444.4214 14479.0497 237.1631 -202845.1103 2439.0868 0.0000 0.0000 52028.2627 -109175.0677 299.0071 -161203.3303 -108807.4743 299.7515 -173.8324 -149.4919 763185.9604 8.6034 8.6223 PRESSURE: 1314800 -101.47 18.3647 62.3167 18.3657 304.794 -139.689 62.3161 -139.691 -142.731 GPRESSURE: 1314800 -121.255 5.24982 81.2812 -100.653 364.404 -169.813 -20.088 -177.397 -75.6089 PRESSAVG: 1314800 60.9583 -18.7549 -6.47681 -18.755 -8.47706 -29.1698 -6.47684 -29.1698 2.088 GPRESSAVG: 1314800 59.3296 -18.5587 -5.09754 -21.6387 -7.22602 -29.5268 -8.15547 -30.2138 2.58314 TIMING: 1314800 CPU: 4173.02, 0.00321701/step Wall: 4173.02, 0.00321701/step, 3.29315 hours remaining, 238.980469 MB of memory in use. ENERGY: 1314800 4054.1963 20605.1744 14554.1663 260.9479 -203255.4491 2493.2562 0.0000 0.0000 52065.7853 -109221.9227 299.2228 -161287.7080 -108870.2037 299.3457 20.1976 55.8468 761760.7615 18.1897 18.2289 PRESSURE: 1315000 193.013 48.0232 99.184 48.0242 -428.184 2.11346 99.1839 2.11375 198.121 GPRESSURE: 1315000 268.086 -39.0082 14.068 -54.8904 -365.648 -96.7209 178.772 24.9808 158.395 PRESSAVG: 1315000 13.3435 -18.2787 -3.28248 -18.2788 -34.3155 9.40989 -3.28247 9.40994 -11.9401 GPRESSAVG: 1315000 13.0043 -19.1986 -3.86357 -16.6398 -33.8652 9.30746 -5.06297 10.4915 -12.1114 TIMING: 1315000 CPU: 4173.66, 0.00321447/step Wall: 4173.66, 0.00321447/step, 3.29036 hours remaining, 238.980469 MB of memory in use. ENERGY: 1315000 3974.7391 20626.5654 14450.4008 238.3956 -203027.4863 2428.2284 0.0000 0.0000 52014.7444 -109294.4127 298.9295 -161309.1571 -108939.2499 299.2287 -12.3502 20.2776 761771.5542 -10.9707 -10.9908 PRESSURE: 1315200 -92.6249 -245.692 -2.67895 -245.692 -33.7965 304.782 -2.67799 304.782 61.8387 GPRESSURE: 1315200 -21.3492 -359.255 106.873 -214.479 -34.2113 240.567 60.4219 335.344 66.7941 PRESSAVG: 1315200 4.80507 -54.1316 -3.01227 -54.1316 -34.1526 11.4704 -3.01219 11.4704 -0.617623 GPRESSAVG: 1315200 4.96869 -53.9398 -4.81275 -54.4052 -34.1061 11.8971 -0.988505 10.9871 -0.943449 TIMING: 1315200 CPU: 4174.3, 0.00321051/step Wall: 4174.3, 0.00321051/step, 3.28613 hours remaining, 238.980469 MB of memory in use. ENERGY: 1315200 3961.2176 20397.9540 14508.4494 253.5589 -203120.2598 2646.9849 0.0000 0.0000 51939.1536 -109412.9414 298.4950 -161352.0950 -109049.5850 298.4203 -21.5276 3.7445 763446.9562 -9.9884 -10.0269 PRESSURE: 1315400 -143.217 -204.785 -119.798 -204.784 -542.61 -187.361 -119.798 -187.362 9.27163 GPRESSURE: 1315400 -50.1704 -109.863 -218.193 -117.605 -559.707 -140.993 -185.191 -254.73 23.3054 PRESSAVG: 1315400 76.9154 -0.182841 9.53153 -0.182835 -18.0237 1.11677 9.53155 1.11676 3.57488 GPRESSAVG: 1315400 78.1072 -1.54172 9.45362 -0.0303566 -18.9864 1.54643 9.66641 -1.40986 3.27364 TIMING: 1315400 CPU: 4174.95, 0.00320627/step Wall: 4174.95, 0.00320627/step, 3.28162 hours remaining, 238.980469 MB of memory in use. ENERGY: 1315400 3997.3719 20686.2014 14599.9834 258.9128 -202658.5956 2137.1157 0.0000 0.0000 51910.7340 -109068.2764 298.3317 -160979.0104 -108718.4761 299.2964 -225.5184 -195.5241 763373.0608 20.8222 20.7981 PRESSURE: 1315600 552.138 -113.913 -108.953 -113.913 288.018 -207.339 -108.952 -207.338 403.475 GPRESSURE: 1315600 518.36 -94.0931 -177.206 -111.757 475.807 -192.605 -110.082 -53.177 328.424 PRESSAVG: 1315600 42.718 -48.2636 -26.6536 -48.2637 -42.6876 -3.43374 -26.6536 -3.43382 -5.24797 GPRESSAVG: 1315600 41.4128 -46.779 -25.4533 -47.8756 -42.7173 -4.90495 -26.1809 -0.523005 -5.02778 TIMING: 1315600 CPU: 4175.58, 0.00319807/step Wall: 4175.58, 0.00319807/step, 3.27305 hours remaining, 238.980469 MB of memory in use. ENERGY: 1315600 3936.9955 20531.0405 14542.8827 260.8290 -203446.1811 2872.2005 0.0000 0.0000 52217.7353 -109084.4976 300.0960 -161302.2329 -108730.2936 299.5583 414.5436 440.8634 760950.6745 -1.7392 -2.1108 PRESSURE: 1315800 -151.079 3.1322 117.708 3.13204 286.025 72.2433 117.708 72.2437 187.312 GPRESSURE: 1315800 -224.894 -40.0585 169.476 18.5288 431.397 12.8343 111.95 154.761 192.44 PRESSAVG: 1315800 -1.78549 -69.1098 -2.73723 -69.1098 41.7883 16.6119 -2.73727 16.6118 14.1973 GPRESSAVG: 1315800 -3.10278 -72.1193 -4.04238 -68.3131 43.3651 16.083 -4.02773 16.514 14.0714 TIMING: 1315800 CPU: 4176.23, 0.00320705/step Wall: 4176.23, 0.00320705/step, 3.28206 hours remaining, 238.980469 MB of memory in use. ENERGY: 1315800 4019.7214 20555.2568 14498.9921 245.3110 -203014.8311 2462.2847 0.0000 0.0000 52011.5670 -109221.6981 298.9112 -161233.2651 -108867.4832 299.8994 107.4192 132.9812 760620.5060 18.0667 18.1112 PRESSURE: 1316000 -281.762 -256.13 -47.5371 -256.13 23.6031 -92.9262 -47.5374 -92.9268 -200.587 GPRESSURE: 1316000 -238.203 -222.714 -129.604 -278.726 -36.8908 -47.0567 -10.8266 -163.601 -100.864 PRESSAVG: 1316000 -28.8507 -67.6083 -15.3964 -67.6083 33.4195 -1.24703 -15.3963 -1.24696 15.4096 GPRESSAVG: 1316000 -27.3465 -66.0625 -14.5867 -69.7401 31.5996 -1.33841 -14.8182 -1.23879 15.6166 TIMING: 1316000 CPU: 4176.87, 0.00319493/step Wall: 4176.87, 0.00319493/step, 3.26948 hours remaining, 238.980469 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: 1316000 4016.8100 20539.2177 14500.2939 258.0527 -202935.6378 2281.6423 0.0000 0.0000 52227.1274 -109112.4937 300.1500 -161339.6211 -108745.8038 299.5104 -152.9155 -125.3195 760343.3039 6.6595 6.6232 PRESSURE: 1316200 249.447 86.0043 -84.3884 86.0049 254.535 90.3725 -84.3881 90.3723 160.718 GPRESSURE: 1316200 318.449 67.1645 -77.5023 188.48 234.535 41.9582 -88.6482 -98.1594 193.831 PRESSAVG: 1316200 -36.2631 -36.8627 30.2692 -36.8628 52.4726 -37.1585 30.2692 -37.1585 0.314845 GPRESSAVG: 1316200 -36.5041 -36.0644 30.7165 -35.2143 52.2982 -37.4199 29.8473 -39.5015 0.326678 TIMING: 1316200 CPU: 4177.51, 0.00319885/step Wall: 4177.51, 0.00319885/step, 3.27331 hours remaining, 238.980469 MB of memory in use. ENERGY: 1316200 4005.5778 20435.4233 14506.4161 261.4487 -203522.3713 2761.6092 0.0000 0.0000 52137.3045 -109414.5917 299.6338 -161551.8962 -109065.4581 299.6178 221.5664 248.9384 761104.1460 5.5081 5.3736 LDB: ============= START OF LOAD BALANCING ============== 4189.96 LDB: ============== END OF LOAD BALANCING =============== 4189.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4189.97 LDB: ============= START OF LOAD BALANCING ============== 4190.28 LDB: Largest compute 7059 load 0.038353 is 19.7% of average load 0.195033 LDB: Average compute 0.004438 is 2.3% of average load 0.195033 LDB: TIME 4190.29 LOAD: AVG 0.195033 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.465 MB LDB: TIME 4190.29 LOAD: AVG 0.195033 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: TIME 4190.29 LOAD: AVG 0.195033 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: ============== END OF LOAD BALANCING =============== 4190.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.3 PRESSURE: 1316400 33.1791 -138.226 209.263 -138.226 19.2762 -26.2731 209.262 -26.2734 -266.308 GPRESSURE: 1316400 92.1647 -45.5743 222.741 -73.6605 59.4148 -36.197 97.6639 211.437 -266.298 PRESSAVG: 1316400 34.9581 -17.1829 -36.5045 -17.1829 9.54939 34.8653 -36.5045 34.8652 14.5741 GPRESSAVG: 1316400 35.0893 -16.4992 -36.0335 -17.8916 9.88795 36.215 -36.3299 35.0128 14.35 TIMING: 1316400 CPU: 4178.16, 0.00327364/step Wall: 4178.16, 0.00327364/step, 3.34966 hours remaining, 237.691406 MB of memory in use. ENERGY: 1316400 3993.3662 20497.4314 14486.2818 231.1175 -202863.2800 2159.2059 0.0000 0.0000 52192.0677 -109303.8096 299.9485 -161495.8773 -108926.9380 299.8500 -71.2841 -38.2396 760467.6657 19.6939 19.7758 PRESSURE: 1316600 52.5304 -199.405 -288.876 -199.405 -51.0298 26.5729 -288.876 26.5725 -85.9019 GPRESSURE: 1316600 23.1365 -70.1613 -241.952 -247.295 -63.5559 25.8392 -178.085 -73.252 51.681 PRESSAVG: 1316600 -48.6983 -20.2358 -24.0986 -20.2357 -22.8177 7.44719 -24.0986 7.44712 5.39655 GPRESSAVG: 1316600 -48.1686 -21.7316 -24.4764 -20.8611 -23.7104 6.2904 -23.4832 8.63873 5.95077 TIMING: 1316600 CPU: 4178.8, 0.00321827/step Wall: 4178.8, 0.00321827/step, 3.29283 hours remaining, 237.894531 MB of memory in use. ENERGY: 1316600 3967.4622 20441.6365 14505.3156 268.8274 -202797.6777 2339.4603 0.0000 0.0000 52203.6461 -109071.3297 300.0151 -161274.9758 -108719.3949 299.6235 -28.1338 3.7538 761689.0636 -22.0398 -21.9761 PRESSURE: 1316800 133.36 -242.238 -139.17 -242.237 -78.6181 -106.435 -139.17 -106.435 -98.3357 GPRESSURE: 1316800 146.527 -253.979 -229.418 -160.223 18.9657 -79.2366 -47.065 -59.7984 -116.236 PRESSAVG: 1316800 17.7167 -17.9914 -34.0807 -17.9914 -24.6292 -24.9654 -34.0806 -24.9653 1.39745 GPRESSAVG: 1316800 17.8122 -17.4527 -33.1268 -17.7407 -22.9459 -23.382 -34.0379 -25.1989 -0.222268 TIMING: 1316800 CPU: 4179.45, 0.00323619/step Wall: 4179.45, 0.00323619/step, 3.31098 hours remaining, 237.894531 MB of memory in use. ENERGY: 1316800 3959.3029 20393.6229 14526.0955 240.0809 -202850.9316 2685.0143 0.0000 0.0000 51987.7357 -109059.0793 298.7742 -161046.8150 -108710.1970 299.9048 -14.5313 16.4190 762452.6153 -1.8384 -1.7853 PRESSURE: 1317000 -11.7507 178.391 120.404 178.391 342.375 167.221 120.403 167.221 -145.076 GPRESSURE: 1317000 -6.75597 78.0192 134.205 221.422 313.927 95.3609 101.41 201.248 -30.7722 PRESSAVG: 1317000 -18.6716 2.42545 30.2141 2.42547 12.0887 11.8735 30.2141 11.8735 -33.7224 GPRESSAVG: 1317000 -19.2422 1.86033 28.5102 3.35929 10.9547 11.3191 31.7639 13.02 -31.4839 TIMING: 1317000 CPU: 4180.09, 0.0032073/step Wall: 4180.09, 0.0032073/step, 3.28124 hours remaining, 237.894531 MB of memory in use. ENERGY: 1317000 4024.8213 20449.4413 14491.9172 247.8395 -203032.4013 2496.5172 0.0000 0.0000 52240.4593 -109081.4054 300.2266 -161321.8647 -108715.6897 299.7679 61.8494 92.1328 761369.2523 -13.4351 -13.2571 PRESSURE: 1317200 -261.468 -150.342 -103.419 -150.342 -181.245 86.1212 -103.418 86.1199 -190.478 GPRESSURE: 1317200 -166.988 -111.872 -99.8993 -110.062 -149.552 44.8595 -127.356 48.6482 -243.778 PRESSAVG: 1317200 -16.1872 22.171 35.0805 22.1709 40.7746 12.0665 35.0805 12.0665 38.9756 GPRESSAVG: 1317200 -15.8449 22.1846 35.0587 22.3131 39.4215 10.8484 31.8702 11.5559 39.6369 TIMING: 1317200 CPU: 4180.73, 0.00319835/step Wall: 4180.73, 0.00319835/step, 3.27191 hours remaining, 237.894531 MB of memory in use. ENERGY: 1317200 3997.0792 20438.2513 14476.6981 268.6421 -202742.8499 2271.4820 0.0000 0.0000 52200.0264 -109090.6709 299.9943 -161290.6973 -108722.0224 300.0423 -211.0638 -186.7728 763783.9163 21.1877 21.0711 PRESSURE: 1317400 -344.21 52.3489 42.4689 52.3495 -172.557 -149.376 42.469 -149.377 14.1563 GPRESSURE: 1317400 -311.585 79.7818 58.4697 39.8815 -178.566 -187.066 -29.6406 -112.491 73.9398 PRESSAVG: 1317400 -45.9978 -4.62706 21.7592 -4.62705 33.9411 -9.84575 21.7592 -9.84572 -8.78901 GPRESSAVG: 1317400 -46.219 -4.12798 23.2853 -6.42037 35.3937 -8.59219 23.8081 -11.0439 -10.6281 TIMING: 1317400 CPU: 4181.37, 0.00318736/step Wall: 4181.37, 0.00318736/step, 3.26049 hours remaining, 237.894531 MB of memory in use. ENERGY: 1317400 4015.8365 20449.3011 14553.7071 253.2699 -203289.7566 2666.0486 0.0000 0.0000 52168.9418 -109182.6517 299.8156 -161351.5935 -108817.2324 299.3522 -167.5371 -138.7371 762536.8601 -6.9486 -7.1511 PRESSURE: 1317600 365.152 51.1805 -122.996 51.1801 112.898 -169.282 -122.997 -169.282 -28.6751 GPRESSURE: 1317600 413.499 65.6217 -95.1974 14.5484 92.1721 -110.529 -85.362 -153.477 42.9769 PRESSAVG: 1317600 -36.2705 6.14837 -69.6315 6.14833 51.4048 -19.6325 -69.6315 -19.6326 15.1513 GPRESSAVG: 1317600 -36.5823 7.42701 -70.29 6.5452 51.2269 -20.6372 -70.0231 -19.9241 15.7517 TIMING: 1317600 CPU: 4182, 0.00316325/step Wall: 4182, 0.00316325/step, 3.23566 hours remaining, 237.894531 MB of memory in use. ENERGY: 1317600 4048.7012 20415.7944 14502.7398 224.9420 -203755.5263 2987.7004 0.0000 0.0000 52122.6773 -109452.9712 299.5497 -161575.6485 -109092.7888 299.6084 149.7914 182.8825 761633.0231 10.0952 10.1321 PRESSURE: 1317800 16.0799 143.816 54.1349 143.817 7.30634 59.3566 54.1346 59.3563 -212.445 GPRESSURE: 1317800 60.4507 61.4623 -3.17536 89.1624 60.5027 65.3496 68.3279 125.919 -226.252 PRESSAVG: 1317800 -4.90171 -40.3427 28.9062 -40.3427 33.3107 -11.8991 28.9062 -11.8992 17.1411 GPRESSAVG: 1317800 -4.54621 -42.3374 28.1533 -40.2677 34.384 -12.8224 28.2622 -10.23 15.3561 TIMING: 1317800 CPU: 4182.64, 0.00319248/step Wall: 4182.64, 0.00319248/step, 3.26537 hours remaining, 237.894531 MB of memory in use. ENERGY: 1317800 4002.9575 20640.0835 14485.8129 241.3612 -203607.3810 2790.5171 0.0000 0.0000 51950.0128 -109496.6359 298.5574 -161446.6487 -109137.0774 299.0196 -63.0196 -35.0996 762427.0474 15.1834 15.0647 PRESSURE: 1318000 -239.469 131.528 -61.0661 131.528 -146.209 5.85444 -61.0666 5.85435 -181.809 GPRESSURE: 1318000 -182.842 50.0244 67.3385 201.352 -207.512 31.6048 -212.268 -39.8393 -97.5524 PRESSAVG: 1318000 -32.5891 22.721 35.6444 22.721 17.4597 59.1244 35.6443 59.1244 -14.6888 GPRESSAVG: 1318000 -32.6555 23.6877 36.7439 20.7488 16.5069 60.1172 36.8054 55.3156 -13.0903 TIMING: 1318000 CPU: 4183.28, 0.00319894/step Wall: 4183.28, 0.00319894/step, 3.2718 hours remaining, 237.894531 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: 1318000 4107.5360 20356.2953 14492.5872 231.5346 -203190.1894 2646.9574 0.0000 0.0000 51788.4673 -109566.8117 297.6290 -161355.2789 -109208.9113 298.9688 -189.1624 -162.6356 762724.0219 -9.9394 -9.7463 PRESSURE: 1318200 283.231 -129.942 -24.8807 -129.941 -211.188 -27.8839 -24.8808 -27.8821 287.827 GPRESSURE: 1318200 299.247 -101.057 -48.6145 -171.524 -108.791 -34.8358 -128.453 44.9416 286.06 PRESSAVG: 1318200 -12.9276 -54.8574 2.65994 -54.8573 13.8528 32.4944 2.65992 32.4944 4.70993 GPRESSAVG: 1318200 -13.1172 -54.7428 2.03256 -50.942 14.1495 31.973 0.906363 34.3342 4.93206 TIMING: 1318200 CPU: 4183.92, 0.00320478/step Wall: 4183.92, 0.00320478/step, 3.2776 hours remaining, 237.894531 MB of memory in use. ENERGY: 1318200 3934.0560 20402.8223 14471.6661 255.5254 -203408.2937 2834.8337 0.0000 0.0000 51708.6239 -109800.7662 297.1702 -161509.3902 -109434.2927 298.2783 119.9565 158.8386 761349.2266 1.8784 1.9881 PRESSURE: 1318400 -409.755 162.483 5.94207 162.483 -127.1 -179.375 5.94139 -179.376 69.1205 GPRESSURE: 1318400 -330.174 100.885 -26.9979 207.321 -57.7161 -152.259 -74.0919 -139.057 1.70692 PRESSAVG: 1318400 -36.8824 -1.4035 27.4002 -1.40355 22.5465 2.66716 27.4002 2.66715 16.9047 GPRESSAVG: 1318400 -36.5077 -0.046394 27.2343 -4.3578 23.8106 2.89661 27.7118 3.60374 15.5363 TIMING: 1318400 CPU: 4184.56, 0.0031893/step Wall: 4184.56, 0.0031893/step, 3.26159 hours remaining, 237.894531 MB of memory in use. ENERGY: 1318400 4002.9480 20353.3553 14497.5168 258.5117 -203365.6164 2479.9515 0.0000 0.0000 51922.7469 -109850.5862 298.4007 -161773.3332 -109494.4981 297.9864 -155.9114 -128.7279 763450.7730 0.8563 0.9464 PRESSURE: 1318600 337.85 -172.301 -254.602 -172.301 118.925 30.0852 -254.602 30.0847 -2.54579 GPRESSURE: 1318600 406.904 -89.6657 -222.695 -182.848 44.1298 17.0268 -248.858 51.1885 81.4308 PRESSAVG: 1318600 -24.2508 19.5431 -17.2537 19.5431 -13.2211 17.3013 -17.2537 17.3013 5.80369 GPRESSAVG: 1318600 -24.675 18.7304 -16.928 20.5791 -14.5084 17.3472 -16.9941 17.5472 7.61437 TIMING: 1318600 CPU: 4185.2, 0.00318355/step Wall: 4185.2, 0.00318355/step, 3.25553 hours remaining, 237.894531 MB of memory in use. ENERGY: 1318600 3896.3384 20322.8613 14472.3926 247.7966 -203324.9797 2707.3325 0.0000 0.0000 51923.8118 -109754.4465 298.4069 -161678.2582 -109395.7317 298.4742 151.4098 177.4882 760463.4389 -10.5561 -10.5230 PRESSURE: 1318800 -0.912632 0.99526 130.631 0.995229 86.0101 -51.0167 130.631 -51.0173 78.8099 GPRESSURE: 1318800 60.2871 27.1632 61.9246 -150.176 37.7127 42.0438 86.8088 -137.197 144.26 PRESSAVG: 1318800 -4.18416 -29.57 -25.4739 -29.57 11.5238 1.05528 -25.4739 1.05525 -16.51 GPRESSAVG: 1318800 -3.65762 -31.1955 -24.618 -29.4716 10.6092 1.30441 -25.2782 0.724918 -15.8894 TIMING: 1318800 CPU: 4185.83, 0.00318866/step Wall: 4185.83, 0.00318866/step, 3.26058 hours remaining, 237.894531 MB of memory in use. ENERGY: 1318800 3878.3036 20473.0623 14485.9586 245.5573 -203183.9621 2695.5771 0.0000 0.0000 51835.4530 -109570.0501 297.8991 -161405.5031 -109201.0826 298.4112 54.6358 80.7533 762415.5810 -3.0568 -2.9793 PRESSURE: 1319000 -322.072 -286.616 -80.5545 -286.616 -12.6547 -32.4882 -80.5543 -32.4882 527.998 GPRESSURE: 1319000 -295.917 -278.508 -77.876 -143.548 133.568 -21.9042 -41.0417 -44.3333 457.117 PRESSAVG: 1319000 25.6146 -70.4131 3.46503 -70.4131 14.5586 -22.6682 3.46504 -22.6681 29.4235 GPRESSAVG: 1319000 25.6225 -69.7896 2.82636 -69.4066 15.7145 -25.1789 3.75215 -21.3091 27.7527 TIMING: 1319000 CPU: 4186.47, 0.0031747/step Wall: 4186.47, 0.0031747/step, 3.24613 hours remaining, 237.894531 MB of memory in use. ENERGY: 1319000 4064.4595 20497.2248 14480.0658 232.3347 -202592.6808 2180.0494 0.0000 0.0000 51795.1840 -109343.3626 297.6676 -161138.5466 -108991.5265 298.8771 64.4239 98.2563 762233.1093 23.1989 23.0299 PRESSURE: 1319200 -262.989 -218.167 238.685 -218.167 324.74 -4.65483 238.685 -4.65609 -230.126 GPRESSURE: 1319200 -188.282 -145.841 192.648 -135.099 311.118 -61.6604 175.305 70.6738 -213.218 PRESSAVG: 1319200 3.21957 -51.4679 43.4673 -51.4679 22.8093 31.5093 43.4673 31.5093 31.256 GPRESSAVG: 1319200 3.29312 -49.5331 44.9396 -53.8807 23.5472 31.7164 44.199 30.463 30.4749 TIMING: 1319200 CPU: 4187.11, 0.00319086/step Wall: 4187.11, 0.00319086/step, 3.26248 hours remaining, 237.894531 MB of memory in use. ENERGY: 1319200 3982.5268 20529.6873 14531.4996 246.0984 -203272.1359 2506.2844 0.0000 0.0000 52191.9699 -109284.0694 299.9480 -161476.0394 -108912.9725 299.8799 -56.1251 -30.1275 761329.8443 19.0950 19.1051 PRESSURE: 1319400 -272.942 -169.143 -47.1539 -169.142 -410.626 446.941 -47.1541 446.942 -472.796 GPRESSURE: 1319400 -254.456 11.4053 -8.79827 -175.555 -350.897 367.543 57.5567 218.884 -480.75 PRESSAVG: 1319400 29.0203 -43.4043 35.6533 -43.4043 11.8571 20.1668 35.6533 20.1669 -1.58755 GPRESSAVG: 1319400 28.3543 -43.7622 33.9509 -42.576 10.9216 21.1456 35.921 18.4396 -0.262989 TIMING: 1319400 CPU: 4187.75, 0.00321173/step Wall: 4187.75, 0.00321173/step, 3.28364 hours remaining, 237.894531 MB of memory in use. ENERGY: 1319400 4053.5081 20542.4964 14491.7015 246.1227 -203059.9736 2639.8987 0.0000 0.0000 51810.2129 -109276.0334 297.7540 -161086.2462 -108915.0955 299.3574 -385.4548 -362.0345 763451.7558 13.0966 13.0043 PRESSURE: 1319600 -197.067 -282.618 -46.265 -282.618 -235.41 -190.148 -46.265 -190.148 67.4937 GPRESSURE: 1319600 -181.95 -361.801 -24.9836 -153.238 -138.226 -242.049 -84.6601 -94.2629 46.7862 PRESSAVG: 1319600 9.76807 -26.5971 22.2264 -26.5971 29.5426 -4.66351 22.2265 -4.66342 16.1555 GPRESSAVG: 1319600 9.37967 -26.4997 21.5803 -25.9561 28.8614 -4.0318 22.2577 -3.50612 17.2516 TIMING: 1319600 CPU: 4188.39, 0.00319168/step Wall: 4188.39, 0.00319168/step, 3.26296 hours remaining, 237.894531 MB of memory in use. ENERGY: 1319600 4080.7138 20514.3981 14492.7021 261.6926 -203122.7878 2554.3495 0.0000 0.0000 52201.6960 -109017.2356 300.0039 -161218.9316 -108659.9126 299.7412 -121.6613 -91.1298 762146.6130 18.4887 18.4975 PRESSURE: 1319800 283.793 -104.627 336.971 -104.627 109.258 193.792 336.971 193.793 42.0469 GPRESSURE: 1319800 304.56 -96.7806 389.773 -160.238 152.609 103.329 359.799 106.344 69.2386 PRESSAVG: 1319800 47.0351 -11.34 17.2046 -11.34 -13.3239 -6.23878 17.2046 -6.23879 20.2002 GPRESSAVG: 1319800 47.1706 -13.2171 16.7694 -10.4737 -12.0497 -6.01985 18.173 -5.72111 18.8006 TIMING: 1319800 CPU: 4189.03, 0.00320868/step Wall: 4189.03, 0.00320868/step, 3.28016 hours remaining, 237.894531 MB of memory in use. ENERGY: 1319800 4061.7737 20663.5869 14426.2065 243.8872 -203242.2462 2634.4908 0.0000 0.0000 52261.8316 -108950.4695 300.3495 -161212.3010 -108585.4027 299.8222 145.0329 175.4693 762339.9054 17.9705 17.9738 PRESSURE: 1320000 13.2059 -94.4918 96.156 -94.4913 -132.568 68.4544 96.1555 68.4552 178.285 GPRESSURE: 1320000 2.24586 -78.924 139.949 -29.8945 -61.8699 70.1796 164.354 57.7964 209.56 PRESSAVG: 1320000 43.1232 -21.8589 10.5461 -21.8589 -47.9688 35.5555 10.5461 35.5554 -11.6915 GPRESSAVG: 1320000 43.8742 -22.2668 13.7187 -23.8414 -49.2889 33.74 7.6443 36.0303 -11.2967 TIMING: 1320000 CPU: 4189.67, 0.00320482/step Wall: 4189.67, 0.00320482/step, 3.27604 hours remaining, 237.894531 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: 1320000 4038.3251 20648.4534 14531.1221 261.9691 -203198.6881 2648.8940 0.0000 0.0000 52016.3913 -109053.5331 298.9389 -161069.9244 -108684.1988 299.9549 19.6411 49.9788 761582.1819 -5.5124 -5.5705 PRESSURE: 1320200 14.1998 -116.869 -123.669 -116.869 69.2045 -60.2679 -123.669 -60.2682 -153.37 GPRESSURE: 1320200 57.1498 -19.8052 -123.869 -129.421 25.8469 -39.2122 -28.7141 -119.709 -94.5216 PRESSAVG: 1320200 49.0715 -14.9941 23.5719 -14.9941 -6.43896 21.456 23.5719 21.4561 10.2979 GPRESSAVG: 1320200 48.3728 -14.1485 20.215 -13.0275 -5.72686 22.2356 24.3723 20.5508 10.976 TIMING: 1320200 CPU: 4190.31, 0.00321748/step Wall: 4190.31, 0.00321748/step, 3.2888 hours remaining, 237.894531 MB of memory in use. ENERGY: 1320200 3962.1765 20624.1414 14533.4202 230.1020 -203472.6030 2696.3869 0.0000 0.0000 52293.9278 -109132.4482 300.5339 -161426.3760 -108768.7423 300.1168 -23.3220 -3.8416 760667.8750 17.6435 17.8740 LDB: ============= START OF LOAD BALANCING ============== 4202.77 LDB: ============== END OF LOAD BALANCING =============== 4202.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4202.77 LDB: ============= START OF LOAD BALANCING ============== 4203.09 LDB: Largest compute 7078 load 0.036356 is 18.6% of average load 0.195135 LDB: Average compute 0.004415 is 2.3% of average load 0.195135 LDB: TIME 4203.09 LOAD: AVG 0.195135 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.262 MB LDB: TIME 4203.09 LOAD: AVG 0.195135 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: TIME 4203.1 LOAD: AVG 0.195135 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.465 MB LDB: ============== END OF LOAD BALANCING =============== 4203.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4203.1 PRESSURE: 1320400 149.464 -49.8493 126.914 -49.8491 426.922 -34.2414 126.913 -34.2414 385.856 GPRESSURE: 1320400 228.993 45.9726 -17.7091 -53.9681 395.452 -42.6891 -3.12123 46.2563 416.121 PRESSAVG: 1320400 -14.3938 -23.4186 -3.39388 -23.4186 -25.846 25.8898 -3.39394 25.8899 -23.1473 GPRESSAVG: 1320400 -12.691 -23.3302 -1.04064 -23.2646 -26.6685 25.3056 -4.66757 27.5202 -23.9923 TIMING: 1320400 CPU: 4190.97, 0.00326124/step Wall: 4190.97, 0.00326124/step, 3.33335 hours remaining, 237.937500 MB of memory in use. ENERGY: 1320400 3987.2596 20757.8394 14421.7187 253.8591 -202864.4697 2402.3373 0.0000 0.0000 52208.4400 -108833.0156 300.0426 -161041.4556 -108472.2920 300.3716 320.7472 346.8553 761156.1002 -21.1290 -21.1172 PRESSURE: 1320600 84.0634 -216.614 120.117 -216.614 -461.184 -58.3789 120.117 -58.3797 -341.261 GPRESSURE: 1320600 40.0047 -199.186 55.423 -130.761 -363.004 -37.3737 191.084 53.7136 -297.295 PRESSAVG: 1320600 34.269 -90.3834 25.864 -90.3834 -21.1974 -3.35378 25.8641 -3.35381 4.92207 GPRESSAVG: 1320600 33.7755 -88.3894 24.8417 -90.9665 -20.4298 -3.26243 25.7396 -3.42032 4.11483 TIMING: 1320600 CPU: 4191.61, 0.0032166/step Wall: 4191.61, 0.0032166/step, 3.28754 hours remaining, 238.140625 MB of memory in use. ENERGY: 1320600 3987.5697 20664.0544 14523.4821 244.5575 -203039.7590 2366.1648 0.0000 0.0000 52194.4063 -109059.5242 299.9620 -161253.9305 -108689.8666 300.6966 -239.4606 -206.7646 760184.0510 5.9979 5.8202 PRESSURE: 1320800 -42.8672 -111.965 -76.0486 -111.966 92.1174 36.4806 -76.048 36.4804 -214.79 GPRESSURE: 1320800 57.7075 -40.042 -75.0369 -134.518 110.043 -0.089153 24.9901 -118.17 -216.263 PRESSAVG: 1320800 64.4192 -42.5182 -33.3414 -42.5183 4.50164 -49.9833 -33.3413 -49.9833 13.8618 GPRESSAVG: 1320800 63.2505 -42.4793 -33.2854 -41.7397 4.79571 -48.6091 -30.431 -52.0041 14.5188 TIMING: 1320800 CPU: 4192.24, 0.00317716/step Wall: 4192.24, 0.00317716/step, 3.24706 hours remaining, 238.140625 MB of memory in use. ENERGY: 1320800 4058.8735 20608.0032 14556.1594 275.1814 -203594.7688 2738.0003 0.0000 0.0000 52146.7142 -109211.8368 299.6879 -161358.5510 -108855.5955 300.6916 -55.1801 -16.1709 760296.2553 27.5942 27.5217 PRESSURE: 1321000 -284.842 103.104 -25.1793 103.102 194.889 50.235 -25.1793 50.2342 -221.048 GPRESSURE: 1321000 -276.201 89.1049 88.7666 112.318 216.442 -6.10539 -140.994 104.934 -175.295 PRESSAVG: 1321000 -2.49783 -42.0296 29.723 -42.0296 -8.31034 11.1009 29.723 11.1009 6.42067 GPRESSAVG: 1321000 -1.44161 -42.1082 32.0584 -41.785 -9.3879 10.8578 29.1565 12.0896 6.05831 TIMING: 1321000 CPU: 4192.88, 0.00317165/step Wall: 4192.88, 0.00317165/step, 3.24125 hours remaining, 238.140625 MB of memory in use. ENERGY: 1321000 3969.5689 20597.4166 14496.6332 244.6321 -203114.5387 2497.6611 0.0000 0.0000 52242.8668 -109065.7600 300.2405 -161308.6267 -108697.1557 299.7582 -103.6672 -78.3512 761436.6588 -1.4625 -1.5904 PRESSURE: 1321200 -112.861 104.722 158.394 104.722 62.6762 -15.5152 158.394 -15.5152 85.921 GPRESSURE: 1321200 -158.72 210.217 180.518 -169.268 185.948 0.729291 12.798 -40.5815 92.9081 PRESSAVG: 1321200 15.0042 -25.5664 58.4312 -25.5664 19.6484 61.2165 58.4312 61.2165 4.54957 GPRESSAVG: 1321200 14.6704 -26.2193 55.9045 -26.7576 20.9997 60.1588 56.7845 60.7085 3.52805 TIMING: 1321200 CPU: 4193.52, 0.00318735/step Wall: 4193.52, 0.00318735/step, 3.25712 hours remaining, 238.140625 MB of memory in use. ENERGY: 1321200 3986.3924 20869.4844 14406.0575 235.1510 -203325.9621 2669.8484 0.0000 0.0000 51981.9417 -109177.0868 298.7409 -161159.0285 -108820.2890 300.2170 11.9120 40.0453 760427.6968 13.0674 13.0660 PRESSURE: 1321400 -30.2808 2.96857 122.712 2.96842 -228.299 23.0038 122.711 23.0033 -185.382 GPRESSURE: 1321400 37.6068 8.40035 130.775 -30.1676 -183.151 17.6411 161.828 6.84353 -208.403 PRESSAVG: 1321400 -61.7643 -60.1175 33.9217 -60.1175 29.3099 55.5663 33.9217 55.5663 13.3636 GPRESSAVG: 1321400 -62.1793 -63.222 34.4304 -58.9924 27.9333 56.3704 35.634 55.6025 15.325 TIMING: 1321400 CPU: 4194.16, 0.00321334/step Wall: 4194.16, 0.00321334/step, 3.2835 hours remaining, 238.140625 MB of memory in use. ENERGY: 1321400 4093.0875 20646.8411 14429.9580 237.5123 -203574.3896 2719.5838 0.0000 0.0000 52312.8330 -109134.5738 300.6426 -161447.4069 -108761.8675 299.5307 -147.9876 -117.9824 760779.5298 -6.3636 -6.3070 PRESSURE: 1321600 -377.656 39.7115 128.496 39.7111 -66.2905 -173.761 128.495 -173.76 105.443 GPRESSURE: 1321600 -263.108 -46.547 144.483 86.1303 -95.4542 -238.597 11.8094 -142.015 126.736 PRESSAVG: 1321600 20.4745 11.7273 24.8147 11.7273 -28.9836 9.01515 24.8147 9.01512 7.70301 GPRESSAVG: 1321600 19.7624 13.3835 26.7599 13.2577 -27.87 9.22983 23.3761 11.5168 7.14464 TIMING: 1321600 CPU: 4194.8, 0.00320488/step Wall: 4194.8, 0.00320488/step, 3.27468 hours remaining, 238.140625 MB of memory in use. ENERGY: 1321600 4012.7509 20690.1884 14498.3700 246.1429 -203129.7730 2310.9901 0.0000 0.0000 52155.9673 -109215.3634 299.7411 -161371.3307 -108850.8238 300.0861 -112.8347 -77.2751 760500.3190 -0.2687 -0.3210 PRESSURE: 1321800 -214.627 -82.3044 -94.9311 -82.3037 -233.982 220.208 -94.9312 220.207 -69.724 GPRESSURE: 1321800 -121.587 -226.454 -124.398 -81.1517 -253.918 163.523 -92.1095 208.109 -77.0301 PRESSAVG: 1321800 11.2225 17.0456 19.4207 17.0456 -9.43867 32.3217 19.4207 32.3217 10.4223 GPRESSAVG: 1321800 12.2728 17.1247 17.4103 15.1828 -10.7221 32.0408 20.8076 27.6867 10.2852 TIMING: 1321800 CPU: 4195.44, 0.00320543/step Wall: 4195.44, 0.00320543/step, 3.27506 hours remaining, 238.140625 MB of memory in use. ENERGY: 1321800 4008.9147 20581.5134 14447.3285 232.8684 -203195.5119 2414.7596 0.0000 0.0000 52340.6446 -109169.4826 300.8024 -161510.1273 -108803.1536 300.0103 -172.7776 -150.8449 760511.1765 4.0687 3.9453 PRESSURE: 1322000 -12.1355 55.1201 -72.5291 55.1202 84.0347 -54.0626 -72.5298 -54.0622 33.3385 GPRESSURE: 1322000 59.9972 102.335 -135.348 -24.087 102.547 -85.1819 36.2029 -80.3035 25.0559 PRESSAVG: 1322000 41.4198 -59.3243 34.1649 -59.3243 -48.1028 41.2338 34.1649 41.2338 10.3454 GPRESSAVG: 1322000 41.3626 -58.1777 33.6474 -60.0367 -47.4671 41.0186 33.8228 43.8601 10.2219 TIMING: 1322000 CPU: 4196.08, 0.00319979/step Wall: 4196.08, 0.00319979/step, 3.26912 hours remaining, 238.140625 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: 1322000 3925.4572 20682.1193 14529.7663 257.9672 -203281.0990 2726.8001 0.0000 0.0000 51984.9558 -109174.0332 298.7583 -161158.9889 -108815.9421 300.0927 35.0792 62.5335 762058.0677 1.2208 1.3725 PRESSURE: 1322200 187.935 79.804 34.3368 79.8029 -51.6522 96.2111 34.3368 96.2104 -35.639 GPRESSURE: 1322200 219.13 86.5471 -39.815 146.333 -19.8934 43.6704 121.634 48.247 -7.84487 PRESSAVG: 1322200 7.16388 -14.1117 17.4808 -14.1117 -35.0972 35.4363 17.4808 35.4362 -22.0723 GPRESSAVG: 1322200 7.54681 -13.7425 17.741 -15.4918 -36.4141 35.5671 18.0255 34.3051 -21.1563 TIMING: 1322200 CPU: 4196.72, 0.00320841/step Wall: 4196.72, 0.00320841/step, 3.27775 hours remaining, 238.140625 MB of memory in use. ENERGY: 1322200 3981.1420 20512.8344 14456.4946 249.0144 -203526.5291 2889.2842 0.0000 0.0000 52211.1261 -109226.6335 300.0581 -161437.7596 -108856.4370 299.4602 33.5478 63.7973 760120.3154 -16.6686 -16.6745 PRESSURE: 1322400 -9.83857 -106.108 53.2933 -106.108 172.903 -81.6568 53.2934 -81.6571 539.466 GPRESSURE: 1322400 51.2853 -169.286 -15.093 42.6331 212.336 -115.039 68.9785 -78.219 529.305 PRESSAVG: 1322400 7.69501 9.69065 -4.64087 9.69066 7.52661 -1.63143 -4.64082 -1.63144 13.2839 GPRESSAVG: 1322400 7.1852 8.27547 -2.81682 13.1454 8.25664 -1.76976 -4.50844 -3.27818 13.3231 TIMING: 1322400 CPU: 4197.36, 0.00320701/step Wall: 4197.36, 0.00320701/step, 3.27614 hours remaining, 238.140625 MB of memory in use. ENERGY: 1322400 3886.7925 20516.1354 14449.3743 263.1562 -203369.1302 2695.0142 0.0000 0.0000 52122.1065 -109436.5511 299.5465 -161558.6576 -109069.5713 299.4114 234.1769 264.3088 760987.2449 9.5018 9.5883 PRESSURE: 1322600 -82.2059 11.362 -72.7057 11.3618 193.631 181.041 -72.7057 181.041 202.226 GPRESSURE: 1322600 28.9225 -72.9908 6.46148 -16.2958 187.53 203.862 -4.27294 36.8296 194.057 PRESSAVG: 1322600 0.494488 14.6963 20.2156 14.6963 -12.116 -5.95305 20.2156 -5.95304 4.63497 GPRESSAVG: 1322600 0.164354 12.8682 18.2585 12.7896 -11.5454 -6.6942 20.0853 -4.15405 5.20938 TIMING: 1322600 CPU: 4198, 0.00317903/step Wall: 4198, 0.00317903/step, 3.24738 hours remaining, 238.140625 MB of memory in use. ENERGY: 1322600 3915.5355 20542.4474 14350.4573 255.8997 -203239.5593 2560.6334 0.0000 0.0000 52119.3261 -109495.2598 299.5305 -161614.5859 -109131.3169 299.1697 104.5501 136.8364 760123.4662 -2.3288 -2.0572 PRESSURE: 1322800 -25.6475 30.9583 81.8125 30.9579 -359.914 17.0634 81.8124 17.0636 -170.782 GPRESSURE: 1322800 -64.0343 59.2912 -14.757 126.16 -233.573 -18.3972 86.1756 -7.30702 -177.115 PRESSAVG: 1322800 -11.1696 -35.7094 -0.132164 -35.7094 31.7946 -17.255 -0.132162 -17.2551 15.2349 GPRESSAVG: 1322800 -10.4891 -33.7502 -0.220759 -34.5445 33.0565 -16.9623 -0.168332 -19.0116 13.1699 TIMING: 1322800 CPU: 4198.64, 0.00317834/step Wall: 4198.64, 0.00317834/step, 3.2465 hours remaining, 238.140625 MB of memory in use. ENERGY: 1322800 4023.3246 20510.3753 14477.7166 246.6516 -203448.1720 2718.8038 0.0000 0.0000 51900.0431 -109571.2570 298.2703 -161471.3001 -109212.6306 298.9884 -185.4477 -158.2410 760474.1863 11.9533 11.9125 PRESSURE: 1323000 150.194 -28.7049 -117.619 -28.7043 258.311 45.2549 -117.618 45.2546 53.3992 GPRESSURE: 1323000 189.872 -96.1284 -131.517 39.8292 275.04 -56.5068 -148.789 10.8986 95.0842 PRESSAVG: 1323000 14.3595 -19.2775 -24.43 -19.2775 -13.3069 -27.1294 -24.4299 -27.1293 -0.0930426 GPRESSAVG: 1323000 13.8254 -19.8893 -23.135 -20.1059 -14.7472 -26.3979 -25.6204 -27.2353 1.4988 TIMING: 1323000 CPU: 4199.27, 0.00318543/step Wall: 4199.27, 0.00318543/step, 3.25356 hours remaining, 238.140625 MB of memory in use. ENERGY: 1323000 3945.6263 20505.7136 14449.6355 257.7593 -203347.4601 2631.4715 0.0000 0.0000 52135.1238 -109422.1302 299.6213 -161557.2540 -109053.0545 298.9467 153.9681 186.6654 760129.5841 0.3198 0.1923 PRESSURE: 1323200 -10.2816 114.343 13.8784 114.344 -293.402 4.11085 13.8786 4.1116 -112.152 GPRESSURE: 1323200 -5.54767 -26.3866 -104.582 52.7999 -180.283 7.06207 90.6654 13.0593 -152.717 PRESSAVG: 1323200 -33.9804 -18.7512 19.212 -18.7511 44.5921 -31.6546 19.212 -31.6546 -12.005 GPRESSAVG: 1323200 -35.2358 -18.987 20.5009 -20.7771 45.4161 -32.8245 19.362 -30.8042 -12.3557 TIMING: 1323200 CPU: 4199.91, 0.00318989/step Wall: 4199.91, 0.00318989/step, 3.25794 hours remaining, 238.140625 MB of memory in use. ENERGY: 1323200 4015.3217 20640.5772 14497.4081 266.4178 -203308.8429 2251.7805 0.0000 0.0000 52041.0323 -109596.3054 299.0805 -161637.3377 -109233.2987 299.3486 -138.6120 -112.8492 760236.8571 -0.4644 -0.7252 PRESSURE: 1323400 -147.388 -17.8872 137.065 -17.8881 -38.0763 -29.6284 137.066 -29.6288 -1.9572 GPRESSURE: 1323400 -102.115 -19.3572 128.749 -81.4938 -57.7245 -112.712 259.846 16.0339 68.5616 PRESSAVG: 1323400 -10.8355 4.77987 34.0386 4.77986 -28.3039 4.12862 34.0387 4.12861 -5.98295 GPRESSAVG: 1323400 -9.92151 5.11736 31.2067 6.16597 -30.0998 3.47779 34.7577 4.02611 -4.69758 TIMING: 1323400 CPU: 4200.55, 0.00320261/step Wall: 4200.55, 0.00320261/step, 3.27076 hours remaining, 238.140625 MB of memory in use. ENERGY: 1323400 3935.1992 20637.3769 14444.7777 235.5668 -203425.0457 2601.4729 0.0000 0.0000 52098.3116 -109472.3406 299.4097 -161570.6522 -109107.1782 299.3539 -62.4738 -30.4259 761200.0691 -15.0408 -14.9063 PRESSURE: 1323600 43.3438 76.507 129.048 76.5077 -119.507 120.02 129.048 120.021 -603.723 GPRESSURE: 1323600 -25.5851 79.667 201.284 120.187 -54.6259 144.676 140.803 41.894 -515.419 PRESSAVG: 1323600 91.6272 -9.62256 -2.96172 -9.62255 18.0661 16.3392 -2.9617 16.3392 -5.1864 GPRESSAVG: 1323600 92.6066 -8.73266 -1.43602 -11.3517 18.1773 18.6164 -4.20845 17.0219 -6.11235 TIMING: 1323600 CPU: 4201.19, 0.00319661/step Wall: 4201.19, 0.00319661/step, 3.26445 hours remaining, 238.140625 MB of memory in use. ENERGY: 1323600 4176.6361 20514.6220 14495.4039 240.9055 -203302.1688 2312.6761 0.0000 0.0000 52236.6753 -109325.2499 300.2049 -161561.9252 -108971.8082 300.1021 -226.6286 -198.5434 759562.0219 34.8356 34.8905 PRESSURE: 1323800 31.1334 -51.3374 -180.922 -51.3379 -113.22 100.329 -180.922 100.329 124.13 GPRESSURE: 1323800 17.5094 -38.6027 -107.391 -43.8961 -57.4804 75.689 -320.063 -5.43647 168.954 PRESSAVG: 1323800 -11.4034 -28.9491 -18.7342 -28.9491 15.5431 -34.9416 -18.7343 -34.9416 3.74907 GPRESSAVG: 1323800 -13.1229 -28.9962 -18.1506 -28.6255 16.3927 -36.3603 -20.435 -35.8317 5.17089 TIMING: 1323800 CPU: 4201.83, 0.00318324/step Wall: 4201.83, 0.00318324/step, 3.25062 hours remaining, 238.140625 MB of memory in use. ENERGY: 1323800 4018.9235 20731.6258 14421.9498 249.5428 -203331.7580 2607.4515 0.0000 0.0000 52203.7218 -109098.5427 300.0155 -161302.2646 -108733.7195 300.0868 14.0142 42.9943 761247.0452 2.6296 2.8135 PRESSURE: 1324000 547.14 83.727 81.8103 83.7273 456.548 68.3407 81.8106 68.3392 -99.0683 GPRESSURE: 1324000 539.264 174.078 -31.1208 -56.6733 478.609 17.4742 101.39 45.6623 -47.7803 PRESSAVG: 1324000 11.8785 -34.1337 -8.68259 -34.1337 30.2989 2.0885 -8.68249 2.08852 11.081 GPRESSAVG: 1324000 12.7876 -35.0066 -9.28526 -32.2865 30.4503 2.39656 -7.42082 1.92756 9.74474 TIMING: 1324000 CPU: 4202.47, 0.00319239/step Wall: 4202.47, 0.00319239/step, 3.25978 hours remaining, 238.140625 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: 1324000 3936.2515 20575.1606 14477.5240 251.6400 -203467.3257 2800.1826 0.0000 0.0000 52230.8939 -109195.6730 300.1717 -161426.5669 -108828.1762 299.7782 301.5400 323.3642 760913.4872 17.7528 17.6609 PRESSURE: 1324200 -159.59 -193.743 -4.13129 -193.743 -7.45876 -178.707 -4.13163 -178.707 5.29106 GPRESSURE: 1324200 -155.25 -129.348 33.9632 -221.248 -23.7588 -212.999 -36.3266 23.5741 107.618 PRESSAVG: 1324200 22.5772 -15.5238 2.00298 -15.5238 -9.80052 23.0067 2.00302 23.0067 0.240458 GPRESSAVG: 1324200 22.6854 -15.9881 1.52805 -15.9511 -9.47318 22.1607 3.15184 23.9146 -0.230352 TIMING: 1324200 CPU: 4203.1, 0.00318308/step Wall: 4203.1, 0.00318308/step, 3.2501 hours remaining, 238.140625 MB of memory in use. ENERGY: 1324200 4021.0605 20571.2256 14503.1871 238.2994 -203236.0800 2595.7434 0.0000 0.0000 51971.5824 -109334.9816 298.6814 -161306.5640 -108981.8259 299.2905 -53.9192 -23.7968 761777.5192 4.3390 4.3273 LDB: ============= START OF LOAD BALANCING ============== 4215.56 LDB: ============== END OF LOAD BALANCING =============== 4215.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4215.56 LDB: ============= START OF LOAD BALANCING ============== 4215.88 LDB: Largest compute 7059 load 0.038559 is 19.8% of average load 0.195143 LDB: Average compute 0.004417 is 2.3% of average load 0.195143 LDB: TIME 4215.89 LOAD: AVG 0.195143 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.938 MB LDB: TIME 4215.89 LOAD: AVG 0.195143 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.031 MB LDB: TIME 4215.89 LOAD: AVG 0.195143 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.031 MB LDB: ============== END OF LOAD BALANCING =============== 4215.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4215.89 PRESSURE: 1324400 208.055 -3.49246 -91.6372 -3.49222 301.632 -7.64021 -91.6366 -7.64108 -372.86 GPRESSURE: 1324400 258.328 28.9899 -246.982 -44.3151 233.807 -5.42369 105.131 -92.1393 -258.689 PRESSAVG: 1324400 -43.6881 0.613193 -14.1348 0.613113 12.8113 -1.35094 -14.1347 -1.35089 16.8347 GPRESSAVG: 1324400 -43.175 -0.105791 -13.4334 2.08953 11.5683 -0.994408 -14.1159 -1.42866 17.8519 TIMING: 1324400 CPU: 4203.76, 0.00328027/step Wall: 4203.76, 0.00328027/step, 3.34915 hours remaining, 236.453125 MB of memory in use. ENERGY: 1324400 4070.6014 20439.0900 14550.4419 237.2719 -203403.1769 2626.2795 0.0000 0.0000 52284.3094 -109195.1828 300.4786 -161479.4922 -108838.8597 299.0662 45.6090 77.8156 763069.9642 -4.6807 -4.5849 PRESSURE: 1324600 -240.851 -191.692 -123.762 -191.691 -6.5377 46.5494 -123.761 46.5476 -129.102 GPRESSURE: 1324600 -177.408 -122.377 -46.2853 -174.879 13.2493 28.1553 -118.183 90.965 -121.805 PRESSAVG: 1324600 -48.8252 -16.7655 -5.13723 -16.7654 -14.2659 30.0337 -5.13722 30.0337 8.12686 GPRESSAVG: 1324600 -48.6038 -13.8247 -6.15851 -20.1895 -13.0859 30.2087 -7.05641 30.0734 6.71916 TIMING: 1324600 CPU: 4204.4, 0.00319439/step Wall: 4204.4, 0.00319439/step, 3.26129 hours remaining, 236.453125 MB of memory in use. ENERGY: 1324600 4058.4844 20512.7058 14522.5194 232.2570 -203019.6886 2466.6579 0.0000 0.0000 52022.2072 -109204.8568 298.9723 -161227.0640 -108850.0740 299.5743 -125.4969 -95.3212 762505.9416 -18.3214 -18.3235 PRESSURE: 1324800 37.2797 -231.37 43.6536 -231.371 50.8012 -222.97 43.653 -222.971 -75.8782 GPRESSURE: 1324800 41.251 -221.842 83.2617 -168.435 77.8836 -236.539 33.3666 -156.351 -44.2138 PRESSAVG: 1324800 56.9324 -59.8668 23.9609 -59.8668 -20.0827 -64.7904 23.9608 -64.7903 15.6163 GPRESSAVG: 1324800 55.7116 -60.5004 24.6878 -58.8329 -19.3407 -64.8499 27.1501 -64.6751 16.4344 TIMING: 1324800 CPU: 4205.04, 0.00321387/step Wall: 4205.04, 0.00321387/step, 3.28101 hours remaining, 236.597656 MB of memory in use. ENERGY: 1324800 4006.7354 20629.7818 14500.2865 250.8021 -203109.5999 2474.0296 0.0000 0.0000 52113.9407 -109134.0238 299.4995 -161247.9645 -108776.0225 299.7473 4.0676 24.9736 761717.1484 17.4887 17.6018 PRESSURE: 1325000 -334.801 -51.2297 -87.3735 -51.2295 98.9419 309.998 -87.3738 309.997 -24.8448 GPRESSURE: 1325000 -248.114 4.56138 -121.277 -18.7094 96.8673 345.779 -112.8 356.341 -51.0451 PRESSAVG: 1325000 -44.2971 -57.2937 50.7337 -57.2937 73.0791 33.8199 50.7336 33.8199 -16.0513 GPRESSAVG: 1325000 -43.0096 -56.6657 49.1374 -55.5979 72.1804 33.22 48.7822 34.7003 -16.5725 TIMING: 1325000 CPU: 4205.68, 0.00321474/step Wall: 4205.68, 0.00321474/step, 3.28171 hours remaining, 236.597656 MB of memory in use. ENERGY: 1325000 4018.6589 20520.0541 14497.2321 233.6332 -203089.3887 2600.5642 0.0000 0.0000 52067.2853 -109151.9609 299.2314 -161219.2462 -108789.1376 299.5203 -86.9013 -67.4307 761737.1774 4.2436 4.1994 PRESSURE: 1325200 -401.408 -21.4707 -12.8323 -21.4703 -105.606 -8.52911 -12.8321 -8.52837 -161.683 GPRESSURE: 1325200 -385.942 -20.4867 -91.0635 46.2205 -76.7738 5.5105 115.756 -9.66559 -128.051 PRESSAVG: 1325200 -1.98025 -7.71171 74.576 -7.71174 -21.1363 -1.99115 74.576 -1.99108 10.0061 GPRESSAVG: 1325200 -2.24929 -10.5194 74.8015 -6.69294 -21.2035 -1.63704 74.3008 -5.62082 10.7159 TIMING: 1325200 CPU: 4206.32, 0.00320819/step Wall: 4206.32, 0.00320819/step, 3.27484 hours remaining, 236.597656 MB of memory in use. ENERGY: 1325200 4014.4288 20578.0591 14473.8097 254.4555 -203057.9206 2495.9630 0.0000 0.0000 52034.7661 -109206.4384 299.0445 -161241.2046 -108846.3020 299.8351 -222.8986 -196.9224 762707.5845 -4.3701 -4.2456 PRESSURE: 1325400 284.211 -114.916 -189.217 -114.917 -119.06 87.3057 -189.217 87.306 -216.725 GPRESSURE: 1325400 232.993 -92.0732 -171.982 -97.9506 -46.8123 140.408 -154.588 126.294 -167.008 PRESSAVG: 1325400 -39.8652 -70.7964 -19.3204 -70.7964 31.952 7.23544 -19.3205 7.23546 -3.0011 GPRESSAVG: 1325400 -40.1149 -67.8623 -17.05 -73.4444 32.0071 6.31833 -19.8573 9.91638 -2.93594 TIMING: 1325400 CPU: 4206.97, 0.00321095/step Wall: 4206.97, 0.00321095/step, 3.27748 hours remaining, 236.597656 MB of memory in use. ENERGY: 1325400 3955.5201 20482.7068 14468.3161 244.3552 -203215.7585 2493.1558 0.0000 0.0000 51959.8083 -109611.8963 298.6137 -161571.7045 -109249.6522 299.3237 -17.1912 6.3907 761764.8697 -3.6381 -3.6812 PRESSURE: 1325600 165.928 26.3884 -57.5004 26.3887 73.5062 57.4164 -57.5006 57.4163 35.2012 GPRESSURE: 1325600 245.043 65.7418 -98.1097 -20.6082 135.419 79.7487 -22.251 0.506242 -28.4609 PRESSAVG: 1325600 -1.96702 -63.8306 -64.6613 -63.8307 4.98097 -6.61615 -64.6613 -6.61616 3.214 GPRESSAVG: 1325600 -1.7033 -65.3252 -64.3437 -63.6733 5.25661 -6.29799 -64.0564 -8.04695 2.94474 TIMING: 1325600 CPU: 4207.61, 0.00319999/step Wall: 4207.61, 0.00319999/step, 3.26613 hours remaining, 236.597656 MB of memory in use. ENERGY: 1325600 4013.7139 20436.9217 14538.7266 247.7588 -203912.9972 2923.5231 0.0000 0.0000 52351.1597 -109401.1934 300.8628 -161752.3531 -109047.9684 298.6730 91.5452 117.3335 761140.0775 2.0760 2.1660 PRESSURE: 1325800 -263.5 30.2099 -69.7089 30.2102 -14.8893 60.4237 -69.7087 60.425 142.725 GPRESSURE: 1325800 -242.536 -33.7927 -71.2439 36.8211 36.2798 58.2009 -98.2733 25.1362 129.193 PRESSAVG: 1325800 -19.7541 -29.0726 -15.0444 -29.0727 24.6987 24.3419 -15.0445 24.3419 -12.9912 GPRESSAVG: 1325800 -20.3179 -28.9806 -17.2484 -27.2492 25.5513 25.2762 -14.3114 24.5199 -13.3058 TIMING: 1325800 CPU: 4208.24, 0.00316889/step Wall: 4208.24, 0.00316889/step, 3.2342 hours remaining, 236.597656 MB of memory in use. ENERGY: 1325800 4044.3546 20384.3123 14542.3931 237.4221 -203719.7334 2876.0364 0.0000 0.0000 52200.4413 -109434.7735 299.9967 -161635.2149 -109068.9960 299.0912 -45.2215 -25.6878 763370.4740 -2.6822 -2.6908 PRESSURE: 1326000 154.38 79.0482 -135.349 79.049 57.1534 173.853 -135.349 173.853 -85.9159 GPRESSURE: 1326000 103.692 113.205 -62.0229 72.7941 150.966 55.514 23.441 279.645 -59.6971 PRESSAVG: 1326000 52.4876 2.52296 -26.4965 2.52297 -21.9566 -4.24208 -26.4964 -4.24197 -3.75217 GPRESSAVG: 1326000 52.4073 2.89097 -25.1076 0.57651 -21.6483 -6.19289 -27.4785 -2.03328 -4.02714 TIMING: 1326000 CPU: 4208.88, 0.00318479/step Wall: 4208.88, 0.00318479/step, 3.25026 hours remaining, 236.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 3914.2308 20504.5124 14563.7339 252.2139 -203537.1360 2588.0883 0.0000 0.0000 52046.8544 -109667.5024 299.1140 -161714.3567 -109310.4811 298.5976 41.8725 64.9868 763659.3866 8.9263 8.9106 PRESSURE: 1326200 -57.4739 -194.046 43.2811 -194.047 169.776 -54.1794 43.2812 -54.1801 -118.7 GPRESSURE: 1326200 -61.0469 -74.3236 27.4259 -157.827 190.771 -60.0552 -89.101 -27.1926 -50.5958 PRESSAVG: 1326200 -17.6102 -22.9183 -22.8675 -22.9184 -28.0641 -19.0845 -22.8675 -19.0845 -19.4239 GPRESSAVG: 1326200 -17.2033 -23.3532 -25.0013 -20.8869 -29.454 -16.0639 -21.0572 -20.0135 -18.4367 TIMING: 1326200 CPU: 4209.51, 0.00317376/step Wall: 4209.51, 0.00317376/step, 3.23882 hours remaining, 236.597656 MB of memory in use. ENERGY: 1326200 3942.8368 20481.6693 14486.3842 254.0939 -203579.4790 2818.7559 0.0000 0.0000 51934.3257 -109661.4131 298.4673 -161595.7388 -109302.3932 298.8679 -2.1329 26.3761 763585.9271 -21.6994 -21.6980 PRESSURE: 1326400 -150.721 -112.923 -128.384 -112.924 -368.358 229.934 -128.385 229.935 -216.774 GPRESSURE: 1326400 -121.992 -6.41465 -92.6721 -102.638 -222.295 299.172 -182.585 -12.2779 -291.723 PRESSAVG: 1326400 29.9638 31.0166 24.9355 31.0165 -18.5343 -13.2491 24.9354 -13.2491 -13.3034 GPRESSAVG: 1326400 30.0813 33.9731 26.6449 27.9827 -18.3879 -13.9613 23.5749 -13.3404 -13.5801 TIMING: 1326400 CPU: 4210.15, 0.00317514/step Wall: 4210.15, 0.00317514/step, 3.24006 hours remaining, 236.597656 MB of memory in use. ENERGY: 1326400 4023.3425 20465.1700 14436.1960 261.3810 -203443.8127 2704.0685 0.0000 0.0000 51902.1215 -109651.5332 298.2822 -161553.6546 -109294.9745 298.6630 -245.2840 -212.0032 762826.0069 -0.6246 -0.6289 PRESSURE: 1326600 16.5203 93.3535 21.364 93.3539 91.1091 -62.8724 21.3637 -62.873 -338.607 GPRESSURE: 1326600 34.037 44.4314 23.1468 133.419 104.755 3.68702 -45.9597 -73.8174 -276.838 PRESSAVG: 1326600 15.0988 -54.6166 55.9119 -54.6166 -45.2482 -1.22655 55.9119 -1.22659 7.47341 GPRESSAVG: 1326600 15.2463 -58.8341 58.0136 -50.8853 -45.4921 -2.09675 57.6329 -0.898714 7.58512 TIMING: 1326600 CPU: 4210.79, 0.00319505/step Wall: 4210.79, 0.00319505/step, 3.26019 hours remaining, 236.597656 MB of memory in use. ENERGY: 1326600 3998.6110 20606.8163 14519.4627 237.4768 -204032.3035 2877.8619 0.0000 0.0000 51744.9398 -110047.1349 297.3789 -161792.0747 -109695.3617 298.1502 -76.9926 -46.0155 762108.2138 -7.5586 -7.5536 PRESSURE: 1326800 -31.3938 23.4014 64.4169 23.4004 205.59 235.169 64.4164 235.17 323.111 GPRESSURE: 1326800 -27.957 46.0769 93.4239 41.5082 257.492 249.575 14.7291 238.616 338.809 PRESSAVG: 1326800 23.4512 17.2609 -9.22301 17.2609 -7.48366 41.9832 -9.22297 41.9832 -15.2794 GPRESSAVG: 1326800 23.4517 18.6617 -10.1609 15.6637 -6.67708 42.0014 -11.3351 40.1685 -15.6745 TIMING: 1326800 CPU: 4211.43, 0.00320048/step Wall: 4211.43, 0.00320048/step, 3.26556 hours remaining, 236.597656 MB of memory in use. ENERGY: 1326800 3990.9001 20463.9772 14525.4463 244.7069 -203555.9148 2575.7436 0.0000 0.0000 51569.0585 -110186.0822 296.3681 -161755.1407 -109826.6823 297.8711 165.7692 189.4480 761813.9183 0.2294 0.3667 PRESSURE: 1327000 209.302 97.2864 52.6259 97.2861 -387.554 -148.037 52.6264 -148.037 -40.6704 GPRESSURE: 1327000 201.782 103.034 92.8157 63.6266 -321.119 -141.37 -45.0276 -11.6836 -11.0869 PRESSAVG: 1327000 -14.7012 -44.0856 -19.4699 -44.0856 6.67912 -5.21103 -19.4699 -5.21109 6.99541 GPRESSAVG: 1327000 -14.8623 -44.3144 -19.1456 -44.1931 7.20497 -5.29778 -18.9192 -2.70428 6.47104 TIMING: 1327000 CPU: 4212.07, 0.0032056/step Wall: 4212.07, 0.0032056/step, 3.2706 hours remaining, 236.597656 MB of memory in use. ENERGY: 1327000 3966.8473 20689.3226 14507.7127 249.2362 -203806.1485 2680.6646 0.0000 0.0000 51502.5865 -110209.7785 295.9861 -161712.3650 -109863.2426 297.4878 -72.9741 -43.4749 759535.3729 -0.3422 -0.3954 PRESSURE: 1327200 -173.531 17.0523 -89.3965 17.0531 -162.242 -71.9429 -89.3976 -71.9434 -6.69355 GPRESSURE: 1327200 -205.545 -51.7041 -88.8383 51.3894 -39.4495 -37.7373 -98.7188 -158.973 -24.9495 PRESSAVG: 1327200 30.987 -36.4405 21.4465 -36.4405 -45.5148 13.282 21.4465 13.2819 -20.5308 GPRESSAVG: 1327200 31.3028 -36.2606 20.1637 -35.4058 -46.1726 13.5008 21.4564 12.3677 -20.2387 TIMING: 1327200 CPU: 4212.7, 0.00316566/step Wall: 4212.7, 0.00316566/step, 3.22967 hours remaining, 236.597656 MB of memory in use. ENERGY: 1327200 3993.0871 20384.3553 14504.9037 244.4561 -203358.8249 2408.1944 0.0000 0.0000 51761.8518 -110061.9766 297.4761 -161823.8284 -109703.0175 297.6997 -114.1554 -89.9814 761392.1536 -11.6862 -11.7028 PRESSURE: 1327400 48.1437 -94.964 -32.126 -94.965 -307.15 85.6279 -32.1266 85.6276 232.682 GPRESSURE: 1327400 9.18506 -146.626 -55.7457 -148.087 -185.152 53.9249 64.4937 -14.4299 232.614 PRESSAVG: 1327400 -1.67714 -62.2619 52.4298 -62.2619 16.9717 -6.38566 52.4297 -6.38564 10.1595 GPRESSAVG: 1327400 -2.12766 -64.6936 53.6651 -62.2275 17.1732 -5.70759 52.2293 -6.57294 10.1288 TIMING: 1327400 CPU: 4213.33, 0.00315765/step Wall: 4213.33, 0.00315765/step, 3.22133 hours remaining, 236.597656 MB of memory in use. ENERGY: 1327400 3953.3275 20321.0267 14455.4114 253.9195 -203229.4904 2365.3646 0.0000 0.0000 51952.5011 -109927.9396 298.5717 -161880.4407 -109558.3317 298.2418 -8.7746 18.8824 759218.0670 8.4847 8.3915 PRESSURE: 1327600 -236.398 53.8881 -9.73382 53.8869 10.9393 50.1684 -9.73477 50.1687 65.0805 GPRESSURE: 1327600 -227.319 18.831 -15.8593 79.5777 15.5521 88.3844 29.9291 -0.0371594 131.189 PRESSAVG: 1327600 -2.0351 -22.7482 38.1848 -22.7483 -51.4798 -31.5815 38.1847 -31.5814 17.9435 GPRESSAVG: 1327600 -2.81909 -20.9958 38.9744 -23.8218 -50.8829 -32.5162 37.7684 -31.5627 18.0464 TIMING: 1327600 CPU: 4213.97, 0.0031861/step Wall: 4213.97, 0.0031861/step, 3.25018 hours remaining, 236.597656 MB of memory in use. ENERGY: 1327600 3968.6166 20365.3988 14368.8633 229.2159 -203502.2235 2639.4172 0.0000 0.0000 51968.0287 -109962.6830 298.6610 -161930.7117 -109594.1408 298.2788 -53.4594 -26.8593 760581.4844 -11.8571 -11.8852 PRESSURE: 1327800 -280.952 -27.8471 -12.9926 -27.847 -147.495 161.577 -12.9925 161.577 -273.266 GPRESSURE: 1327800 -225.253 -154.118 70.3837 -42.4384 -210.711 163.798 -155.354 192.172 -160.673 PRESSAVG: 1327800 -28.7363 -3.05403 14.7683 -3.05403 44.8296 25.3179 14.7684 25.3178 -11.1355 GPRESSAVG: 1327800 -29.0254 -3.974 13.3859 -2.74997 44.9037 26.1764 16.2872 25.3681 -10.3934 TIMING: 1327800 CPU: 4214.61, 0.00319082/step Wall: 4214.61, 0.00319082/step, 3.25481 hours remaining, 236.597656 MB of memory in use. ENERGY: 1327800 3875.9888 20315.1659 14439.0139 242.8867 -202972.5189 2152.9412 0.0000 0.0000 52042.1103 -109904.4120 299.0867 -161946.5224 -109540.1446 298.0871 -233.9044 -198.8788 760691.4402 1.6526 1.8283 PRESSURE: 1328000 -352.64 -28.6584 -63.7662 -28.6587 -83.2357 112.562 -63.7665 112.561 73.6404 GPRESSURE: 1328000 -226.569 -84.7233 -59.2028 -19.6583 -54.6133 196.912 -30.9602 82.9953 6.5135 PRESSAVG: 1328000 16.2399 -31.3209 32.0835 -31.3209 8.04884 3.39257 32.0835 3.39256 -17.5702 GPRESSAVG: 1328000 18.7291 -31.2615 31.1665 -32.1377 6.62141 3.33186 32.6403 4.31614 -19.0433 TIMING: 1328000 CPU: 4215.25, 0.00321974/step Wall: 4215.25, 0.00321974/step, 3.28414 hours remaining, 236.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 4035.8933 20463.9506 14436.7416 241.7402 -203282.7769 2390.8558 0.0000 0.0000 51823.4694 -109890.1260 297.8302 -161713.5955 -109528.6254 298.5979 -120.7450 -91.5561 761621.7084 2.2395 2.1024 PRESSURE: 1328200 98.1221 227.852 -26.0551 227.853 -24.4003 85.9312 -26.0554 85.931 189.048 GPRESSURE: 1328200 177.708 240.549 -22.5048 146.415 -64.7259 130.465 -93.303 -49.4948 233.004 PRESSAVG: 1328200 22.5853 -57.6954 -52.7423 -57.6954 30.503 41.1863 -52.7423 41.1863 -18.9996 GPRESSAVG: 1328200 20.7451 -56.9405 -53.1336 -58.3374 32.4433 40.4171 -53.1295 39.745 -18.9753 TIMING: 1328200 CPU: 4215.9, 0.00323013/step Wall: 4215.9, 0.00323013/step, 3.29456 hours remaining, 236.597656 MB of memory in use. ENERGY: 1328200 4004.0570 20283.8657 14472.8021 239.6499 -203602.9731 2594.1839 0.0000 0.0000 51908.6217 -110099.7928 298.3196 -162008.4145 -109732.1148 298.2441 87.5899 115.3288 759174.4983 11.3629 11.4044 LDB: ============= START OF LOAD BALANCING ============== 4228.36 LDB: ============== END OF LOAD BALANCING =============== 4228.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4228.36 LDB: ============= START OF LOAD BALANCING ============== 4228.68 LDB: Largest compute 7028 load 0.036244 is 18.6% of average load 0.195214 LDB: Average compute 0.004429 is 2.3% of average load 0.195214 LDB: TIME 4228.68 LOAD: AVG 0.195214 MAX 0.213595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.109 MB LDB: TIME 4228.68 LOAD: AVG 0.195214 MAX 0.213595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: TIME 4228.68 LOAD: AVG 0.195214 MAX 0.213595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: ============== END OF LOAD BALANCING =============== 4228.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4228.69 PRESSURE: 1328400 -149.882 -43.0644 -74.1834 -43.0635 135.732 217.213 -74.1834 217.214 -332.311 GPRESSURE: 1328400 -98.9562 -13.6558 -35.306 -40.4171 178.41 263.836 -180.326 166.772 -348.38 PRESSAVG: 1328400 45.3031 -9.17225 -55.536 -9.17223 31.7382 -12.6112 -55.5359 -12.6112 -8.58211 GPRESSAVG: 1328400 45.2038 -8.42972 -53.6965 -8.2687 30.968 -9.98347 -56.7592 -14.3721 -7.90689 TIMING: 1328400 CPU: 4216.55, 0.0032783/step Wall: 4216.55, 0.0032783/step, 3.34351 hours remaining, 238.855469 MB of memory in use. ENERGY: 1328400 4009.9121 20442.0971 14445.0830 240.8441 -203570.5923 2521.9625 0.0000 0.0000 51808.6698 -110102.0237 297.7451 -161910.6935 -109732.1708 298.0037 -115.4870 -89.6420 758221.2111 22.8197 22.7550 PRESSURE: 1328600 -319.303 150.168 109.162 150.168 -125.134 270.446 109.162 270.446 -353.705 GPRESSURE: 1328600 -340.933 -25.6275 63.1819 85.6572 -165.497 183.789 42.0606 376.567 -215.317 PRESSAVG: 1328600 26.8347 16.032 -27.6792 16.032 -41.8686 32.4252 -27.6791 32.4252 27.2799 GPRESSAVG: 1328600 27.7832 15.1364 -29.2515 16.0752 -42.9221 30.8905 -27.4597 36.4329 27.2946 TIMING: 1328600 CPU: 4217.19, 0.00318058/step Wall: 4217.19, 0.00318058/step, 3.24366 hours remaining, 239.058594 MB of memory in use. ENERGY: 1328600 3931.7501 20532.7772 14452.3875 250.3210 -203359.1572 2412.1685 0.0000 0.0000 51651.6288 -110128.1242 296.8426 -161779.7530 -109775.0605 297.7654 -266.0476 -240.5821 760988.0555 4.0820 4.0519 PRESSURE: 1328800 123.256 -133.963 -153.218 -133.963 150.934 338.744 -153.217 338.744 147.382 GPRESSURE: 1328800 137.058 -195.108 -162.446 -107.977 158.516 323.35 -193.771 216.931 222.25 PRESSAVG: 1328800 42.4914 -38.0825 -29.4076 -38.0826 -3.76373 56.8863 -29.4076 56.8863 8.71058 GPRESSAVG: 1328800 42.1025 -37.3459 -27.4448 -38.5928 -2.85986 58.4953 -30.5035 55.2778 8.4503 TIMING: 1328800 CPU: 4217.83, 0.0031939/step Wall: 4217.83, 0.0031939/step, 3.25707 hours remaining, 239.058594 MB of memory in use. ENERGY: 1328800 4027.2349 20352.5075 14503.6619 241.5692 -203555.6723 2731.4227 0.0000 0.0000 51732.7194 -109966.5568 297.3086 -161699.2761 -109603.8108 298.6835 140.5239 172.6078 759927.9713 15.8127 15.8976 PRESSURE: 1329000 -125.598 293.589 -18.9531 293.588 71.4878 -260.726 -18.9535 -260.727 25.2152 GPRESSURE: 1329000 -118.843 255.183 28.0031 194.74 158.462 -227.831 13.2968 -409.251 9.16669 PRESSAVG: 1329000 31.9593 -82.2693 -69.0047 -82.2693 -12.8672 -12.614 -69.0047 -12.614 -3.74694 GPRESSAVG: 1329000 32.0144 -83.775 -70.7594 -81.598 -11.3852 -14.2113 -65.7217 -12.7053 -5.54343 TIMING: 1329000 CPU: 4218.46, 0.0031815/step Wall: 4218.46, 0.0031815/step, 3.24425 hours remaining, 239.058594 MB of memory in use. ENERGY: 1329000 3959.8926 20210.6926 14482.8834 231.3989 -203032.3585 2032.9881 0.0000 0.0000 52012.5484 -110101.9547 298.9168 -162114.5030 -109733.9030 298.2629 -9.6316 16.2618 759918.0031 5.1150 5.0286 PRESSURE: 1329200 -280.313 86.2988 30.2008 86.2992 -229.386 -24.8473 30.2014 -24.8483 -176.845 GPRESSURE: 1329200 -124.077 46.0676 31.9731 -29.8434 -205.193 -46.4608 -23.0926 95.2465 -273.732 PRESSAVG: 1329200 29.5078 -68.4536 16.3389 -68.4536 -15.7071 -30.2379 16.3389 -30.2379 15.7436 GPRESSAVG: 1329200 28.8743 -68.0945 17.2893 -67.5977 -15.932 -29.7876 13.6123 -31.9046 17.3292 TIMING: 1329200 CPU: 4219.1, 0.00317626/step Wall: 4219.1, 0.00317626/step, 3.23873 hours remaining, 239.058594 MB of memory in use. ENERGY: 1329200 3963.7186 20444.8791 14430.4305 251.3112 -203585.0656 2352.8730 0.0000 0.0000 51945.1830 -110196.6702 298.5297 -162141.8532 -109819.0584 297.7854 -228.8478 -201.0010 760417.0712 9.8481 10.0905 PRESSURE: 1329400 -189.639 -175.486 -10.3894 -175.486 27.0059 80.0069 -10.3895 80.0074 50.0436 GPRESSURE: 1329400 -140.207 -103.243 -64.2455 -101.866 28.6419 92.2553 -29.2636 4.52998 85.0263 PRESSAVG: 1329400 43.5411 -37.2444 -4.02103 -37.2444 -27.9217 -39.6225 -4.021 -39.6225 -8.29506 GPRESSAVG: 1329400 45.46 -37.1036 -6.42659 -37.0654 -29.8739 -40.3519 -2.75861 -38.6411 -7.96231 TIMING: 1329400 CPU: 4219.74, 0.00317725/step Wall: 4219.74, 0.00317725/step, 3.23956 hours remaining, 239.058594 MB of memory in use. ENERGY: 1329400 3964.4684 20465.4900 14443.8339 243.5741 -203175.4225 2270.7970 0.0000 0.0000 51820.9079 -109966.3511 297.8155 -161787.2589 -109598.8556 298.1217 -37.5300 -8.8464 761302.8171 2.4414 2.5413 PRESSURE: 1329600 -250.025 -12.1022 193.023 -12.1034 -16.6749 55.7778 193.024 55.7779 -69.9349 GPRESSURE: 1329600 -169.54 15.4385 217.959 -11.0925 2.25355 75.6238 159.154 56.7274 -77.5735 PRESSAVG: 1329600 -32.3183 -47.4458 11.2436 -47.4458 12.0531 -26.7409 11.2436 -26.7408 -28.9267 GPRESSAVG: 1329600 -34.2126 -49.8851 11.9511 -49.4928 13.6614 -25.4444 11.9502 -26.3468 -28.6247 TIMING: 1329600 CPU: 4220.37, 0.00316607/step Wall: 4220.37, 0.00316607/step, 3.22799 hours remaining, 239.058594 MB of memory in use. ENERGY: 1329600 3980.5855 20227.9898 14566.0198 255.9268 -203975.9709 2898.6996 0.0000 0.0000 52079.8988 -109966.8506 299.3039 -162046.7493 -109602.0013 298.3955 -112.2116 -81.6200 760628.2435 -16.3973 -16.3920 PRESSURE: 1329800 -241.81 53.5423 73.0276 53.543 -60.2756 40.323 73.028 40.3228 -55.3983 GPRESSURE: 1329800 -299.8 49.2999 102.274 119.144 -22.7971 19.2309 29.9517 117.598 53.6814 PRESSAVG: 1329800 16.7194 -56.6292 -18.3682 -56.6292 -37.9962 -6.39398 -18.3682 -6.39395 10.1507 GPRESSAVG: 1329800 14.9678 -53.9197 -16.4043 -56.4476 -37.5406 -8.78785 -18.038 -3.97832 11.2664 TIMING: 1329800 CPU: 4221, 0.00317944/step Wall: 4221, 0.00317944/step, 3.24144 hours remaining, 239.058594 MB of memory in use. ENERGY: 1329800 4034.5176 20391.4978 14484.4782 244.9818 -203045.0965 2252.9299 0.0000 0.0000 51844.0191 -109792.6721 297.9483 -161636.6912 -109432.1919 298.6931 -119.1613 -89.6384 762905.8008 -3.7087 -3.7688 PRESSURE: 1330000 -162.449 156.679 -316.013 156.678 -214.039 125.147 -316.013 125.146 -233.569 GPRESSURE: 1330000 -76.1159 199.073 -265.919 74.3056 -204.277 5.64943 -286.812 70.7827 -245.771 PRESSAVG: 1330000 20.4593 19.6338 41.9672 19.6338 -33.8947 57.7894 41.9672 57.7894 7.69648 GPRESSAVG: 1330000 23.8043 19.1895 41.7878 21.7164 -35.2004 57.7302 39.047 57.0942 5.84121 TIMING: 1330000 CPU: 4221.64, 0.0031648/step Wall: 4221.64, 0.0031648/step, 3.22633 hours remaining, 239.058594 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: 1330000 4080.7678 20526.2393 14482.4640 245.1122 -203451.7917 2503.2884 0.0000 0.0000 51860.5007 -109753.4195 298.0430 -161613.9202 -109403.3361 298.3028 -203.3524 -175.3881 761583.5755 -1.9130 -1.8516 PRESSURE: 1330200 -148.497 -124.02 103.842 -124.02 85.6363 7.16913 103.841 7.16812 -210.059 GPRESSURE: 1330200 66.2483 -140.12 109.981 -44.5947 -102.165 17.9873 149.933 -120.343 -156.924 PRESSAVG: 1330200 47.819 -44.8352 5.4601 -44.8352 -16.3686 11.3871 5.46019 11.3871 18.0233 GPRESSAVG: 1330200 47.1383 -44.7601 4.97237 -46.1978 -16.103 11.7317 6.59748 8.06395 18.676 TIMING: 1330200 CPU: 4222.28, 0.00319024/step Wall: 4222.28, 0.00319024/step, 3.2521 hours remaining, 239.058594 MB of memory in use. ENERGY: 1330200 4052.4366 20368.6951 14527.9473 250.8525 -203348.1826 2465.8968 0.0000 0.0000 52069.9195 -109612.4348 299.2465 -161682.3543 -109241.7195 299.0286 -90.9734 -64.2803 761172.4796 16.4912 16.5704 PRESSURE: 1330400 -140.482 -84.204 -94.7696 -84.2039 -316.407 -13.7131 -94.769 -13.7128 -281.696 GPRESSURE: 1330400 -142.68 -164.103 -76.0584 -114.351 -210.936 35.0016 -141.009 -7.49583 -307.982 PRESSAVG: 1330400 66.9679 -87.0893 74.5103 -87.0892 -32.8695 -25.1685 74.5103 -25.1685 -22.3546 GPRESSAVG: 1330400 66.194 -87.7727 74.9461 -86.6941 -31.8579 -24.3851 74.4398 -24.7096 -22.2904 TIMING: 1330400 CPU: 4222.91, 0.00318388/step Wall: 4222.91, 0.00318388/step, 3.24543 hours remaining, 239.058594 MB of memory in use. ENERGY: 1330400 4006.8678 20547.4126 14473.4481 266.2459 -202882.7426 2062.2068 0.0000 0.0000 51981.4269 -109545.1345 298.7380 -161526.5614 -109190.0449 299.4730 -246.1950 -220.5326 762317.8525 3.9146 4.0153 PRESSURE: 1330600 155.848 48.0382 -64.6538 48.0389 236.804 -102.207 -64.6536 -102.206 -51.7248 GPRESSURE: 1330600 90.6851 -36.5599 -38.3102 21.8701 307.007 -78.6002 -82.0019 -32.2589 23.8417 PRESSAVG: 1330600 -4.46524 -48.6194 20.8544 -48.6194 -19.8064 -5.88389 20.8544 -5.88396 39.9426 GPRESSAVG: 1330600 -5.47647 -47.5032 19.6614 -50.1024 -18.7425 -6.59401 21.0048 -2.97049 39.7935 TIMING: 1330600 CPU: 4223.55, 0.00319562/step Wall: 4223.55, 0.00319562/step, 3.25722 hours remaining, 239.058594 MB of memory in use. ENERGY: 1330600 3916.9034 20391.1508 14547.9723 256.2930 -203346.8840 2620.8891 0.0000 0.0000 52047.3629 -109566.3126 299.1169 -161613.6755 -109199.7375 299.0367 113.6423 140.5112 761319.9035 5.2236 5.1915 PRESSURE: 1330800 -307.384 -15.3655 155.938 -15.3657 -206.134 -6.77534 155.938 -6.77475 19.7974 GPRESSURE: 1330800 -271.853 39.8162 123.75 -57.9928 -201.943 -8.97876 25.7182 54.9987 71.4589 PRESSAVG: 1330800 -10.9566 -16.7915 14.8739 -16.7915 46.8295 33.0586 14.8739 33.0586 4.90256 GPRESSAVG: 1330800 -9.91341 -18.0761 15.697 -16.5789 45.1789 34.3447 15.2122 31.322 4.766 TIMING: 1330800 CPU: 4224.19, 0.00318561/step Wall: 4224.19, 0.00318561/step, 3.24684 hours remaining, 239.058594 MB of memory in use. ENERGY: 1330800 3974.8679 20586.4523 14508.5422 243.9376 -203168.0259 2345.9015 0.0000 0.0000 51926.4933 -109581.8311 298.4223 -161508.3243 -109226.2800 299.3656 -164.5737 -134.1122 761753.2155 13.5918 13.3438 PRESSURE: 1331000 -155.8 -173.496 268.444 -173.496 -290.573 -17.5065 268.444 -17.5061 185.977 GPRESSURE: 1331000 -110.844 -196.913 168.521 -209.898 -241.468 -80.1212 251.443 -52.0247 176.882 PRESSAVG: 1331000 -24.4015 -29.4293 -38.6658 -29.4292 36.1574 -41.3748 -38.6657 -41.3748 -31.0794 GPRESSAVG: 1331000 -24.9562 -28.5259 -39.2766 -27.328 36.9457 -41.6291 -40.0911 -41.0068 -31.3211 TIMING: 1331000 CPU: 4224.82, 0.00317598/step Wall: 4224.82, 0.00317598/step, 3.23686 hours remaining, 239.058594 MB of memory in use. ENERGY: 1331000 3968.2966 20602.2223 14509.0807 245.9532 -203270.0459 2196.9086 0.0000 0.0000 52356.8697 -109390.7148 300.8956 -161747.5845 -109025.3740 299.9726 -86.7989 -58.4767 761350.7048 -6.4412 -6.4439 PRESSURE: 1331200 140.888 -21.6993 135.391 -21.6994 -252.894 133.087 135.392 133.088 138.237 GPRESSURE: 1331200 193.036 -60.6605 194.988 128.982 -238.595 159.558 61.2873 -20.3316 141.481 PRESSAVG: 1331200 25.1882 -14.2765 12.5635 -14.2764 22.7376 -16.1449 12.5635 -16.1448 17.3739 GPRESSAVG: 1331200 25.6653 -16.7335 13.0356 -14.4487 22.6988 -16.9939 14.2698 -15.5789 16.9107 TIMING: 1331200 CPU: 4225.46, 0.00317273/step Wall: 4225.46, 0.00317273/step, 3.23337 hours remaining, 239.058594 MB of memory in use. ENERGY: 1331200 3889.9017 20509.3048 14459.1201 265.1377 -203613.6258 2769.0809 0.0000 0.0000 52189.0405 -109532.0400 299.9311 -161721.0805 -109165.7331 299.3268 8.7436 31.9741 760007.9879 21.7666 21.7583 PRESSURE: 1331400 -119.838 -58.2276 44.4349 -58.2279 337.524 0.919937 44.4334 0.918447 194.077 GPRESSURE: 1331400 -118.801 -19.8964 70.2624 -33.2764 363.242 10.7608 120.33 39.3725 252.287 PRESSAVG: 1331400 -32.1649 -45.3075 36.7138 -45.3076 5.65703 15.3515 36.7138 15.3515 -24.578 GPRESSAVG: 1331400 -32.9538 -45.0946 36.715 -45.2635 5.12302 15.2222 36.4561 12.0171 -24.0482 TIMING: 1331400 CPU: 4226.09, 0.00317287/step Wall: 4226.09, 0.00317287/step, 3.23333 hours remaining, 239.058594 MB of memory in use. ENERGY: 1331400 4009.8032 20563.1685 14478.5427 260.2942 -203533.6815 2822.7359 0.0000 0.0000 52037.3636 -109361.7734 299.0594 -161399.1370 -109002.0647 299.2542 137.2542 165.5761 761733.9780 -17.0286 -17.2930 PRESSURE: 1331600 -507.703 -226.958 -19.5178 -226.957 -216.989 -130.269 -19.5178 -130.267 -494.272 GPRESSURE: 1331600 -366.007 -319.331 -16.9821 -330.703 -246.806 -175.613 -156.655 11.1986 -517.865 PRESSAVG: 1331600 -3.16588 -17.2795 -17.6024 -17.2796 13.1991 4.07395 -17.6024 4.074 44.8215 GPRESSAVG: 1331600 -3.07446 -16.4578 -16.2505 -17.747 14.4648 4.5081 -18.726 8.02745 43.2715 TIMING: 1331600 CPU: 4226.73, 0.00320076/step Wall: 4226.73, 0.00320076/step, 3.26158 hours remaining, 239.058594 MB of memory in use. ENERGY: 1331600 3980.7208 20583.6986 14526.3624 243.2591 -203359.4699 2418.4614 0.0000 0.0000 51854.9501 -109752.0174 298.0111 -161606.9675 -109393.5562 298.9490 -406.3215 -376.8927 761765.0157 18.2849 18.2206 PRESSURE: 1331800 59.9394 -76.1653 53.985 -76.1656 -214.779 -280.194 53.9852 -280.195 -119.278 GPRESSURE: 1331800 82.6583 -168.439 107.178 -37.6507 -147.501 -253.093 59.3067 -267.551 -115.232 PRESSAVG: 1331800 21.6618 -40.0818 29.8251 -40.0817 -46.1168 8.79802 29.8252 8.798 -7.57446 GPRESSAVG: 1331800 22.879 -38.662 27.9682 -40.8152 -48.0816 7.16519 30.3989 10.3513 -6.72037 TIMING: 1331800 CPU: 4227.37, 0.00318182/step Wall: 4227.37, 0.00318182/step, 3.24209 hours remaining, 239.058594 MB of memory in use. ENERGY: 1331800 3929.2982 20500.5780 14552.7485 251.3404 -203946.7795 2859.3553 0.0000 0.0000 51920.7151 -109932.7440 298.3891 -161853.4591 -109565.3384 298.6483 -91.3725 -60.0251 760428.2791 -10.6765 -10.6410 PRESSURE: 1332000 110.205 -40.3633 -346.156 -40.3641 -124.977 42.1683 -346.156 42.1672 37.3927 GPRESSURE: 1332000 116.481 -96.1333 -290.443 -16.4788 -52.1231 24.8545 -302.316 -57.5406 42.4325 PRESSAVG: 1332000 68.484 -21.3603 -31.0492 -21.3604 5.42074 -8.74355 -31.0492 -8.74357 3.00039 GPRESSAVG: 1332000 66.4851 -21.8535 -31.4786 -22.9683 6.98042 -6.73767 -30.7431 -10.8046 3.45601 TIMING: 1332000 CPU: 4228.01, 0.00322907/step Wall: 4228.01, 0.00322907/step, 3.29007 hours remaining, 239.058594 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: 1332000 3990.6368 20416.7285 14488.9860 246.6583 -203510.5397 2439.1354 0.0000 0.0000 52110.9998 -109817.3949 299.4826 -161928.3948 -109453.1425 298.8525 7.5403 35.5967 761885.5402 25.6351 25.6405 PRESSURE: 1332200 -332.212 -187.422 36.5947 -187.422 70.7403 -130.83 36.5948 -130.83 -325.312 GPRESSURE: 1332200 -218.736 -219.111 -30.4969 -267.854 49.0635 -65.8049 33.3233 -271.353 -317.113 PRESSAVG: 1332200 54.3176 -37.1075 -12.4613 -37.1076 -25.6001 -12.88 -12.4614 -12.8801 8.81777 GPRESSAVG: 1332200 55.4961 -37.4237 -11.1537 -34.2721 -26.822 -13.0274 -12.3496 -11.9116 9.0091 TIMING: 1332200 CPU: 4228.66, 0.003207/step Wall: 4228.66, 0.003207/step, 3.2674 hours remaining, 239.058594 MB of memory in use. ENERGY: 1332200 3984.0785 20613.1578 14505.2418 248.6739 -203532.8130 2491.7340 0.0000 0.0000 51811.4481 -109878.4790 297.7611 -161689.9270 -109511.6435 298.7301 -195.5946 -162.2617 760764.4707 12.5117 12.5611 LDB: ============= START OF LOAD BALANCING ============== 4241.11 LDB: ============== END OF LOAD BALANCING =============== 4241.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4241.11 LDB: ============= START OF LOAD BALANCING ============== 4241.44 LDB: Largest compute 7078 load 0.037221 is 19.1% of average load 0.195115 LDB: Average compute 0.004420 is 2.3% of average load 0.195115 LDB: TIME 4241.44 LOAD: AVG 0.195115 MAX 0.217529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.832 MB LDB: TIME 4241.44 LOAD: AVG 0.195115 MAX 0.217529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: TIME 4241.44 LOAD: AVG 0.195115 MAX 0.217529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.902 MB LDB: ============== END OF LOAD BALANCING =============== 4241.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4241.45 PRESSURE: 1332400 459.322 -72.5032 4.88846 -72.5023 -158.555 -143.442 4.88881 -143.443 -128.433 GPRESSURE: 1332400 490.06 -133.884 -30.3449 -27.1908 -45.2031 -137.337 52.2655 -190.66 -171.627 PRESSAVG: 1332400 54.4027 -84.4776 -25.7749 -84.4776 -27.6654 -45.2479 -25.7749 -45.2478 0.749874 GPRESSAVG: 1332400 52.8931 -84.884 -26.934 -83.2732 -26.7809 -44.9094 -25.8595 -47.4156 1.18994 TIMING: 1332400 CPU: 4229.31, 0.00327044/step Wall: 4229.31, 0.00327043/step, 3.33185 hours remaining, 237.382812 MB of memory in use. ENERGY: 1332400 3910.1387 20364.2481 14560.8423 237.0149 -203532.9603 2566.0966 0.0000 0.0000 52029.0777 -109865.5420 299.0118 -161894.6197 -109504.5510 298.7864 57.4450 91.0768 760492.1257 9.1624 9.1007 PRESSURE: 1332600 -323.343 -99.161 137.605 -99.1614 173.33 -150.956 137.604 -150.957 -17.2873 GPRESSURE: 1332600 -295.884 -49.2351 130.984 -90.6243 212.149 -179.736 137.201 -74.383 10.5893 PRESSAVG: 1332600 19.9334 -64.3037 -53.2142 -64.3038 41.366 -33.0385 -53.2143 -33.0385 8.01631 GPRESSAVG: 1332600 19.5705 -64.6653 -51.7468 -66.2451 42.7332 -33.243 -53.4091 -32.0307 7.05905 TIMING: 1332600 CPU: 4229.96, 0.00322395/step Wall: 4229.96, 0.00322395/step, 3.28431 hours remaining, 237.382812 MB of memory in use. ENERGY: 1332600 3962.4668 20464.6156 14464.4837 257.9674 -203701.4138 2668.0545 0.0000 0.0000 52119.5265 -109764.2992 299.5316 -161883.8258 -109393.9037 298.7041 -55.7670 -24.3818 760859.7137 23.1052 23.1209 PRESSURE: 1332800 4.29257 -60.1197 -264.034 -60.1186 -207.192 -0.841398 -264.033 -0.841575 -135.955 GPRESSURE: 1332800 21.4121 -162.833 -278.734 -173.256 -215.786 30.1902 -182.618 -83.4378 -76.6696 PRESSAVG: 1332800 -0.241468 -48.2309 8.20426 -48.2308 -26.9618 -17.8524 8.20425 -17.8524 -3.88903 GPRESSAVG: 1332800 0.767995 -47.9731 6.54875 -49.413 -28.0629 -17.0913 7.58181 -17.9103 -4.07058 TIMING: 1332800 CPU: 4230.6, 0.00322213/step Wall: 4230.6, 0.00322212/step, 3.28227 hours remaining, 237.382812 MB of memory in use. ENERGY: 1332800 4021.7509 20623.6983 14434.1550 239.5837 -203682.0280 2722.1105 0.0000 0.0000 51804.4318 -109836.2979 297.7208 -161640.7297 -109478.0155 298.8449 -112.9513 -90.3477 762452.2105 -10.3641 -10.4552 PRESSURE: 1333000 -324.738 30.0337 -86.085 30.0338 -80.0326 -147.251 -86.0858 -147.25 140.578 GPRESSURE: 1333000 -278.063 21.7503 -29.17 -7.69511 -8.79548 -279.496 -116.781 -20.0785 109.444 PRESSAVG: 1333000 30.2572 -70.0363 -5.49422 -70.0364 -18.5609 -19.3387 -5.49421 -19.3387 -12.4233 GPRESSAVG: 1333000 31.0801 -71.5204 -5.17792 -67.8371 -18.771 -17.6033 -4.96054 -20.3498 -12.5171 TIMING: 1333000 CPU: 4231.24, 0.00320681/step Wall: 4231.24, 0.00320681/step, 3.26649 hours remaining, 237.382812 MB of memory in use. ENERGY: 1333000 3948.9952 20627.8061 14469.1056 254.0485 -203505.7745 2455.6160 0.0000 0.0000 51944.6860 -109805.5170 298.5268 -161750.2030 -109446.8100 298.8928 -88.0643 -59.1380 760586.1197 -0.2424 -0.0693 PRESSURE: 1333200 -98.4137 -131.907 6.15819 -131.907 107.274 -103.63 6.15869 -103.631 -413.138 GPRESSURE: 1333200 -24.1619 -105.527 -36.0593 -78.9256 88.981 -143.492 68.0713 0.86712 -395.723 PRESSAVG: 1333200 -52.5725 -33.3264 -19.8865 -33.3264 -6.06469 -0.31123 -19.8865 -0.31132 -15.6583 GPRESSAVG: 1333200 -53.5391 -31.8101 -19.7253 -34.5626 -6.23487 -2.16737 -21.2015 1.95991 -14.7813 TIMING: 1333200 CPU: 4231.88, 0.00320344/step Wall: 4231.88, 0.00320344/step, 3.26288 hours remaining, 237.382812 MB of memory in use. ENERGY: 1333200 3958.8988 20542.6464 14463.2364 242.0831 -203700.7369 2794.2870 0.0000 0.0000 51991.5206 -109708.0647 298.7960 -161699.5853 -109352.3954 298.7883 -134.7595 -110.3012 761652.2022 -24.7652 -24.8517 PRESSURE: 1333400 387.645 -103.616 0.566999 -103.616 101.026 38.0976 0.567424 38.0981 146.123 GPRESSURE: 1333400 343.567 -29.2934 16.1481 -68.8601 156.815 25.6953 87.8537 -56.4664 228.776 PRESSAVG: 1333400 11.1003 -65.3737 58.7609 -65.3737 12.2344 37.0945 58.7609 37.0945 -13.3002 GPRESSAVG: 1333400 10.9774 -65.4943 58.6274 -64.0062 11.6792 37.7174 59.3208 35.6965 -12.8917 TIMING: 1333400 CPU: 4232.52, 0.00319168/step Wall: 4232.52, 0.00319168/step, 3.25072 hours remaining, 237.382812 MB of memory in use. ENERGY: 1333400 3888.1297 20672.8790 14456.9539 247.6084 -203442.5207 2487.3044 0.0000 0.0000 52113.8259 -109575.8195 299.4989 -161689.6453 -109214.9475 298.8964 211.5978 243.0525 760624.0845 3.3448 3.2550 PRESSURE: 1333600 -509.501 -114.219 -112.841 -114.219 -244.27 -179.328 -112.841 -179.327 19.4883 GPRESSURE: 1333600 -361.992 -43.1149 -60.1889 -129.751 -242.037 -292.547 -87.7122 10.234 -37.6902 PRESSAVG: 1333600 18.6171 -86.1699 -40.2316 -86.1699 -39.2275 19.5272 -40.2316 19.5273 -15.0497 GPRESSAVG: 1333600 17.9501 -85.5275 -39.3089 -86.4364 -38.8273 19.3998 -39.7532 20.6805 -15.4003 TIMING: 1333600 CPU: 4233.16, 0.00321694/step Wall: 4233.16, 0.00321694/step, 3.27627 hours remaining, 237.382812 MB of memory in use. ENERGY: 1333600 3967.5992 20703.1560 14443.1552 260.4352 -203307.6949 2224.2178 0.0000 0.0000 52171.2098 -109537.9218 299.8287 -161709.1315 -109172.6088 298.6779 -244.7611 -213.9066 761623.9082 -11.8867 -12.0925 PRESSURE: 1333800 -101.184 -28.0644 -87.5777 -28.0639 38.7934 -50.4317 -87.5776 -50.4327 -466.323 GPRESSURE: 1333800 -65.9323 83.0717 -122.019 -37.9799 146.86 -70.2059 49.9789 1.03171 -522.358 PRESSAVG: 1333800 58.9451 -87.7816 16.8207 -87.7816 -74.8591 -22.2946 16.8207 -22.2946 1.87047 GPRESSAVG: 1333800 59.5461 -87.5682 16.8746 -85.9731 -74.9436 -21.3685 15.7357 -21.9471 1.07053 TIMING: 1333800 CPU: 4233.81, 0.00323819/step Wall: 4233.81, 0.00323819/step, 3.29773 hours remaining, 237.382812 MB of memory in use. ENERGY: 1333800 3983.9707 20573.2390 14489.5211 228.6591 -203538.9780 2465.6419 0.0000 0.0000 52573.5036 -109224.4426 302.1406 -161797.9463 -108852.9652 299.2550 -176.2378 -147.1434 759167.9462 -4.6812 -4.7757 PRESSURE: 1334000 -123.459 -87.3609 96.8049 -87.3606 -40.1833 -12.2174 96.8045 -12.2169 -321.698 GPRESSURE: 1334000 -43.9971 -123.89 28.4577 -121.134 -8.75798 -53.0709 119.442 -125.738 -340.479 PRESSAVG: 1334000 27.9303 2.77667 -25.0244 2.7767 12.5178 -18.3219 -25.0244 -18.322 11.7612 GPRESSAVG: 1334000 27.7627 3.79568 -25.5408 -1.43738 12.7578 -18.8713 -25.0475 -18.7643 11.9168 TIMING: 1334000 CPU: 4234.46, 0.00322404/step Wall: 4234.46, 0.00322404/step, 3.28315 hours remaining, 237.382812 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: 1334000 4104.2548 20660.3973 14487.7243 247.6166 -203282.5289 2396.9382 0.0000 0.0000 52120.5095 -109265.0882 299.5373 -161385.5977 -108904.2141 300.0214 -161.7799 -131.0781 760061.4706 17.4031 17.4791 PRESSURE: 1334200 -79.9056 -92.0677 110.062 -92.0674 -123.008 -267.045 110.062 -267.045 -484.507 GPRESSURE: 1334200 -31.5956 -95.896 6.76506 27.1248 -133.495 -238.218 56.0442 -118.643 -430.176 PRESSAVG: 1334200 21.2438 -49.485 64.42 -49.485 9.97042 -12.7137 64.42 -12.7137 -1.15925 GPRESSAVG: 1334200 21.9822 -51.9658 64.8839 -48.396 9.53465 -12.3883 64.2785 -11.7892 -1.35462 TIMING: 1334200 CPU: 4235.1, 0.00320428/step Wall: 4235.1, 0.00320428/step, 3.26284 hours remaining, 237.382812 MB of memory in use. ENERGY: 1334200 3972.4962 20585.4822 14451.1206 233.4346 -202957.0353 2267.9210 0.0000 0.0000 52212.6942 -109233.8864 300.0671 -161446.5806 -108864.1401 300.1278 -229.1400 -198.4220 761985.0670 10.0183 10.0541 PRESSURE: 1334400 -27.2685 -118.805 -25.5361 -118.805 -242.917 176.339 -25.5361 176.339 114.238 GPRESSURE: 1334400 0.343098 -87.3092 -26.6793 -79.6638 -138.882 177.422 52.2923 62.1544 67.5437 PRESSAVG: 1334400 52.8284 -24.224 26.4664 -24.224 6.64949 -5.87853 26.4665 -5.87857 26.8807 GPRESSAVG: 1334400 52.9334 -24.1692 25.3098 -22.3827 5.78963 -5.6788 28.7072 -7.20964 27.1514 TIMING: 1334400 CPU: 4235.74, 0.00321151/step Wall: 4235.74, 0.00321151/step, 3.27003 hours remaining, 237.382812 MB of memory in use. ENERGY: 1334400 4009.8471 20554.3025 14452.2134 241.5618 -203254.5618 2467.1683 0.0000 0.0000 52083.5184 -109445.9505 299.3247 -161529.4689 -109079.1925 299.5388 -51.9824 -23.6650 761190.5633 28.7862 28.6248 PRESSURE: 1334600 414.411 -10.2178 -36.2279 -10.2173 229.046 -60.4683 -36.228 -60.4687 370.443 GPRESSURE: 1334600 449.183 -123.008 -37.8117 -65.2397 197.901 -37.8475 64.5927 -35.8983 449.205 PRESSAVG: 1334600 61.1094 -14.5163 -2.21126 -14.5162 -18.7833 49.6418 -2.21122 49.6418 10.2987 GPRESSAVG: 1334600 61.6705 -11.8236 -3.07931 -17.0303 -18.6604 46.7202 -3.57954 51.9315 10.3831 TIMING: 1334600 CPU: 4236.38, 0.00319166/step Wall: 4236.38, 0.00319166/step, 3.24964 hours remaining, 237.382812 MB of memory in use. ENERGY: 1334600 3867.7208 20426.4851 14502.4398 246.1498 -203625.1152 2720.9485 0.0000 0.0000 52295.7612 -109565.6099 300.5445 -161861.3711 -109208.7814 299.8158 337.9667 365.4299 759619.7228 17.5416 17.7978 PRESSURE: 1334800 -14.4465 -87.7438 -35.5421 -87.7437 29.3394 -36.0534 -35.5422 -36.0535 37.3102 GPRESSURE: 1334800 10.6152 -104.436 -120.298 -102.972 42.2026 99.3343 -95.0222 -54.5485 96.4462 PRESSAVG: 1334800 -21.8662 -46.1933 18.1388 -46.1933 44.3304 7.85049 18.1388 7.8505 11.673 GPRESSAVG: 1334800 -22.966 -47.5669 19.3066 -45.1051 45.7355 9.98036 18.648 6.19037 11.2522 TIMING: 1334800 CPU: 4237.02, 0.00323127/step Wall: 4237.02, 0.00323127/step, 3.28979 hours remaining, 237.382812 MB of memory in use. ENERGY: 1334800 4009.6304 20484.9539 14506.1019 236.3639 -203860.5817 2828.0513 0.0000 0.0000 52269.7329 -109525.7474 300.3949 -161795.4804 -109164.4257 300.0273 17.4010 49.7547 760949.6147 11.3791 11.3406 PRESSURE: 1335000 238.162 61.4074 135.888 61.4075 -11.3293 101.513 135.889 101.512 -60.6627 GPRESSURE: 1335000 351.434 1.58747 105.634 56.6908 -46.2992 49.7413 118.458 50.1843 -65.3638 PRESSAVG: 1335000 5.4807 -67.1635 -18.6785 -67.1635 -27.4572 17.4042 -18.6785 17.4042 -18.2182 GPRESSAVG: 1335000 6.87038 -66.9763 -18.423 -67.1472 -28.2607 16.2433 -19.8988 15.6543 -19.3222 TIMING: 1335000 CPU: 4237.67, 0.00322094/step Wall: 4237.67, 0.00322094/step, 3.27909 hours remaining, 237.382812 MB of memory in use. ENERGY: 1335000 4001.9753 20530.0012 14534.2990 241.7380 -203530.8900 2496.4218 0.0000 0.0000 52049.7937 -109676.6609 299.1309 -161726.4546 -109312.9725 299.6984 55.3900 79.9237 761098.5191 -13.3982 -13.5708 PRESSURE: 1335200 335.989 -176.265 -158.743 -176.266 -64.1978 -225.451 -158.744 -225.452 25.3652 GPRESSURE: 1335200 232.84 -270.064 -157.212 -189.435 108.406 -184.729 -200.985 -110.867 51.0451 PRESSAVG: 1335200 -1.74812 -58.9406 -0.836805 -58.9406 -2.67828 20.9203 -0.836823 20.9202 6.13789 GPRESSAVG: 1335200 -2.8975 -59.6403 -1.52856 -59.0446 -2.25089 21.9612 -0.385984 21.9587 6.79334 TIMING: 1335200 CPU: 4238.31, 0.00323512/step Wall: 4238.31, 0.00323512/step, 3.29336 hours remaining, 237.382812 MB of memory in use. ENERGY: 1335200 3993.3191 20582.8257 14449.2207 254.2039 -203345.1593 2457.7722 0.0000 0.0000 51988.1918 -109619.6258 298.7769 -161607.8176 -109264.4210 299.3320 99.0522 130.7639 759024.9520 0.5705 0.5483 PRESSURE: 1335400 -25.8825 -117.529 -163.358 -117.53 -86.8047 -60.7973 -163.356 -60.797 -9.12297 GPRESSURE: 1335400 62.0845 -112.79 -174.427 -109.187 -38.5101 -85.7568 -95.6494 5.29173 -52.0638 PRESSAVG: 1335400 -3.35017 -18.8175 1.71683 -18.8175 -2.16125 8.57579 1.71686 8.57568 1.29163 GPRESSAVG: 1335400 -4.17517 -17.2491 3.37861 -17.4194 -1.488 6.64894 2.89474 10.3966 1.04714 TIMING: 1335400 CPU: 4238.96, 0.00322392/step Wall: 4238.96, 0.00322392/step, 3.28177 hours remaining, 237.382812 MB of memory in use. ENERGY: 1335400 4009.4795 20594.0080 14550.1819 256.5865 -203454.0930 2395.9753 0.0000 0.0000 52001.2018 -109646.6600 298.8516 -161647.8617 -109302.0524 298.7062 -40.6034 -9.4965 761838.5139 -1.4066 -1.5387 PRESSURE: 1335600 -92.154 -277.287 79.4167 -277.287 129.572 258.876 79.4166 258.875 -334.284 GPRESSURE: 1335600 -35.5213 -288.752 32.3515 -152.418 122.32 154.326 44.284 315.102 -280.599 PRESSAVG: 1335600 -21.6656 -13.0797 5.47892 -13.0798 -34.9922 -4.37479 5.47895 -4.37478 -12.9053 GPRESSAVG: 1335600 -20.3317 -13.3097 6.11502 -13.401 -35.9371 -3.64962 4.57264 -5.97731 -12.8925 TIMING: 1335600 CPU: 4239.6, 0.00319837/step Wall: 4239.6, 0.00319837/step, 3.25559 hours remaining, 237.382812 MB of memory in use. ENERGY: 1335600 4006.7946 20512.6161 14520.3534 235.4179 -203642.4810 2654.4888 0.0000 0.0000 52079.1113 -109633.6989 299.2994 -161712.8102 -109260.6998 299.1829 -98.9553 -64.6001 761683.4026 -23.1877 -23.0538 PRESSURE: 1335800 129.326 -92.3996 53.7986 -92.3991 -156.558 -67.9018 53.7979 -67.9021 -178.218 GPRESSURE: 1335800 153.286 -55.3355 87.5497 -39.1906 -224.435 -33.799 78.7145 -20.0657 -63.8548 PRESSAVG: 1335800 -2.93445 -11.7457 -16.1813 -11.7457 47.9705 7.93249 -16.1812 7.9325 -14.5288 GPRESSAVG: 1335800 -2.53715 -11.7547 -16.8794 -12.5977 48.7318 7.47921 -16.6856 8.72276 -15.5871 TIMING: 1335800 CPU: 4240.24, 0.00320243/step Wall: 4240.24, 0.00320243/step, 3.25954 hours remaining, 237.382812 MB of memory in use. ENERGY: 1335800 3862.1146 20716.1664 14504.1952 249.7460 -203532.6612 2449.1652 0.0000 0.0000 52105.2798 -109645.9941 299.4498 -161751.2739 -109289.7510 299.0839 -68.4837 -45.0013 762189.2852 10.1691 10.2025 PRESSURE: 1336000 513.761 106.746 49.293 106.746 -254.844 64.1904 49.2926 64.1906 -248.675 GPRESSURE: 1336000 524.321 143.183 113.565 119.462 -217.454 116.473 -19.1024 38.2329 -200.119 PRESSAVG: 1336000 -7.62943 -19.5131 -27.4334 -19.5131 9.27848 27.7047 -27.4334 27.7047 -9.8372 GPRESSAVG: 1336000 -8.37948 -20.1296 -25.2181 -20.3715 9.08199 30.3168 -28.3773 26.2149 -8.74212 TIMING: 1336000 CPU: 4240.88, 0.00320823/step Wall: 4240.88, 0.00320823/step, 3.26526 hours remaining, 237.382812 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: 1336000 4024.9067 20456.6797 14481.0288 210.6597 -203793.0180 2614.5728 0.0000 0.0000 52298.0690 -109707.1012 300.5577 -162005.1702 -109345.7053 299.5377 3.4141 35.5828 761400.5097 -2.7294 -2.6799 PRESSURE: 1336200 -264.964 10.1335 -39.1839 10.1332 -62.8312 9.46195 -39.1839 9.46136 -453.057 GPRESSURE: 1336200 -277.24 -26.0816 -29.9955 80.3488 18.2711 -62.9447 -36.54 12.4593 -439.171 PRESSAVG: 1336200 -2.36526 5.04395 -3.47027 5.04393 47.1851 16.1474 -3.47023 16.1473 9.51832 GPRESSAVG: 1336200 -1.92225 4.85311 -6.79429 5.74736 46.0836 15.4279 0.16474 16.9928 9.90757 TIMING: 1336200 CPU: 4241.53, 0.00323465/step Wall: 4241.53, 0.00323465/step, 3.29197 hours remaining, 237.382812 MB of memory in use. ENERGY: 1336200 4003.5623 20554.4603 14571.2645 269.6927 -203383.4645 2363.8568 0.0000 0.0000 51771.5928 -109849.0351 297.5321 -161620.6279 -109483.9157 298.3908 -260.2840 -232.7132 761022.7938 18.1127 18.0230 LDB: ============= START OF LOAD BALANCING ============== 4253.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4253.98 LDB: =============== DONE WITH MIGRATION ================ 4253.99 LDB: ============= START OF LOAD BALANCING ============== 4254.31 LDB: Largest compute 7078 load 0.038581 is 19.8% of average load 0.195076 LDB: Average compute 0.004426 is 2.3% of average load 0.195076 LDB: TIME 4254.31 LOAD: AVG 0.195076 MAX 0.2187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.41 MB LDB: TIME 4254.31 LOAD: AVG 0.195076 MAX 0.2187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: TIME 4254.31 LOAD: AVG 0.195076 MAX 0.216353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.469 MB LDB: ============== END OF LOAD BALANCING =============== 4254.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4254.32 PRESSURE: 1336400 112.041 -44.3023 102.165 -44.3018 352.525 -204.867 102.165 -204.866 211.726 GPRESSURE: 1336400 160.515 34.6499 112.366 -1.16038 353.59 -165.655 94.6114 -99.2401 252.37 PRESSAVG: 1336400 25.917 4.368 -18.0008 4.36799 -35.917 19.2979 -18.0009 19.298 17.4334 GPRESSAVG: 1336400 26.125 4.39721 -17.9157 5.00524 -35.7762 18.4125 -20.5815 21.0476 17.13 TIMING: 1336400 CPU: 4242.19, 0.00328497/step Wall: 4242.19, 0.00328497/step, 3.343 hours remaining, 236.359375 MB of memory in use. ENERGY: 1336400 4093.2272 20486.3847 14481.0700 233.8221 -203926.3841 2917.3938 0.0000 0.0000 52008.2658 -109706.2205 298.8922 -161714.4863 -109355.5719 298.8943 225.4305 255.4918 760312.0975 2.4778 2.4929 PRESSURE: 1336600 -118.206 -115.795 -77.7247 -115.794 -399.901 52.9017 -77.7254 52.9024 -152.433 GPRESSURE: 1336600 -80.4253 -111.726 -77.8629 -201.894 -362.335 89.1535 -34.1439 120.34 -152.757 PRESSAVG: 1336600 -15.3804 -38.1715 -18.2515 -38.1715 28.9026 7.58295 -18.2514 7.58299 -3.40238 GPRESSAVG: 1336600 -14.7808 -36.4078 -16.2318 -37.8694 28.3066 8.50188 -18.1971 5.91668 -3.95158 TIMING: 1336600 CPU: 4242.83, 0.00323763/step Wall: 4242.83, 0.00323762/step, 3.29464 hours remaining, 236.359375 MB of memory in use. ENERGY: 1336600 4092.6427 20594.7595 14459.3612 265.9485 -203661.4480 2437.6701 0.0000 0.0000 51869.3021 -109941.7639 298.0936 -161811.0660 -109588.3041 298.6795 -223.5135 -198.5057 761215.8538 3.3733 3.1914 PRESSURE: 1336800 179.406 196.152 -41.4151 196.152 152.569 156.388 -41.4149 156.389 92.5955 GPRESSURE: 1336800 318.594 137.565 -19.3 209.888 130.821 55.0844 -84.823 28.7014 64.3058 PRESSAVG: 1336800 -3.68191 -18.1218 -24.5467 -18.1218 -5.89785 -32.6247 -24.5468 -32.6246 -0.533126 GPRESSAVG: 1336800 -3.65058 -19.2109 -25.141 -17.9511 -3.99669 -34.5048 -24.9281 -32.1429 -2.22463 TIMING: 1336800 CPU: 4243.48, 0.00323612/step Wall: 4243.48, 0.00323612/step, 3.29293 hours remaining, 236.359375 MB of memory in use. ENERGY: 1336800 3969.6383 20487.8319 14458.3446 233.0312 -203783.9553 2866.2177 0.0000 0.0000 51627.2899 -110141.6017 296.7027 -161768.8916 -109781.7573 297.9053 141.5235 171.2403 759157.8848 -3.3710 -3.2906 PRESSURE: 1337000 374.642 -67.9244 -307.034 -67.925 -7.87227 8.38536 -307.034 8.38529 -78.5168 GPRESSURE: 1337000 349.369 -125.178 -237.831 71.8879 45.7023 67.4868 -234.27 -120.616 -30.7391 PRESSAVG: 1337000 59.5717 4.87352 7.27084 4.87351 -91.66 -36.5675 7.27081 -36.5675 15.3271 GPRESSAVG: 1337000 57.8394 5.53016 6.37301 3.37388 -92.079 -36.0061 6.85606 -37.0639 17.2464 TIMING: 1337000 CPU: 4244.13, 0.00324501/step Wall: 4244.13, 0.00324501/step, 3.3018 hours remaining, 236.359375 MB of memory in use. ENERGY: 1337000 3955.5950 20596.7095 14474.1004 242.6540 -203847.9030 2483.4770 0.0000 0.0000 51971.1872 -110124.1798 298.6791 -162095.3670 -109762.2190 297.6083 96.0844 121.4442 759797.7273 -5.5871 -5.6644 PRESSURE: 1337200 47.2851 50.3734 124.754 50.3731 -44.9169 -98.2751 124.755 -98.2756 -180.319 GPRESSURE: 1337200 -41.7738 68.63 194.124 75.7318 67.2837 -45.4699 193.629 4.77427 -112.086 PRESSAVG: 1337200 -7.49062 -2.48255 -35.0182 -2.48255 11.2006 -42.9165 -35.0182 -42.9164 9.73902 GPRESSAVG: 1337200 -7.70455 -2.29933 -33.9906 -2.67707 10.0699 -41.6496 -33.1009 -41.0223 11.0139 TIMING: 1337200 CPU: 4244.78, 0.00324876/step Wall: 4244.78, 0.00324876/step, 3.30543 hours remaining, 236.359375 MB of memory in use. ENERGY: 1337200 3987.4822 20396.1456 14469.0671 250.4375 -203933.0039 2799.6134 0.0000 0.0000 52026.7694 -110003.4887 298.9986 -162030.2581 -109636.0951 297.8918 -59.3169 -28.8588 760034.3566 4.4830 4.4597 PRESSURE: 1337400 60.9043 24.8227 -49.3036 24.8227 -325.942 -7.59178 -49.3031 -7.59125 370.37 GPRESSURE: 1337400 50.617 129.855 -38.0642 -80.0108 -217.427 24.5139 -61.1493 -55.9128 351.585 PRESSAVG: 1337400 20.2681 61.9077 -16.7379 61.9078 -59.8027 12.45 -16.738 12.4501 -37.467 GPRESSAVG: 1337400 21.4953 60.8733 -17.0321 64.1902 -59.4908 11.9947 -18.976 11.824 -39.4832 TIMING: 1337400 CPU: 4245.42, 0.00321456/step Wall: 4245.42, 0.00321456/step, 3.27046 hours remaining, 236.359375 MB of memory in use. ENERGY: 1337400 3959.1381 20452.6236 14516.6282 236.3756 -203271.3789 2283.1906 0.0000 0.0000 51991.8557 -109831.5671 298.7979 -161823.4228 -109470.1355 298.5968 35.1110 61.5915 760434.5021 -25.6672 -25.8262 PRESSURE: 1337600 -86.0548 -316.235 -96.4852 -316.233 16.4547 -0.225627 -96.4843 -0.225582 -165.76 GPRESSURE: 1337600 -9.81658 -258.921 -108.618 -192.679 -2.29136 15.0344 -157.241 94.9106 -157.127 PRESSAVG: 1337600 -5.88328 -9.60181 26.2515 -9.60186 -26.8819 12.063 26.2515 12.063 -19.8498 GPRESSAVG: 1337600 -6.72146 -8.12029 26.4473 -10.3791 -27.0449 12.0127 27.8164 12.2122 -18.6237 TIMING: 1337600 CPU: 4246.07, 0.00326229/step Wall: 4246.07, 0.00326229/step, 3.31884 hours remaining, 236.359375 MB of memory in use. ENERGY: 1337600 4009.0045 20421.6493 14576.0588 237.3408 -203258.9046 2317.1343 0.0000 0.0000 52157.8221 -109539.8949 299.7517 -161697.7170 -109175.6876 298.8441 -78.4532 -56.4116 760928.3394 -17.5383 -17.4633 PRESSURE: 1337800 -217.079 -26.0978 235.13 -26.0985 221.633 -340.919 235.131 -340.918 -144.334 GPRESSURE: 1337800 -99.1501 -102.145 180.29 -83.8304 208.354 -318.122 110.874 -350.152 -160.919 PRESSAVG: 1337800 -69.9407 -30.3371 -11.0894 -30.3371 50.4256 -5.82629 -11.0894 -5.82629 18.1498 GPRESSAVG: 1337800 -69.2089 -31.2158 -12.0864 -29.7674 50.1605 -6.3726 -10.0727 -6.28321 17.5009 TIMING: 1337800 CPU: 4246.73, 0.00327033/step Wall: 4246.73, 0.00327033/step, 3.32684 hours remaining, 236.359375 MB of memory in use. ENERGY: 1337800 3965.4532 20617.5881 14520.0403 261.3686 -203342.1290 2302.7573 0.0000 0.0000 52142.4091 -109532.5125 299.6631 -161674.9215 -109166.1881 299.0566 -46.5935 -17.2383 759660.3526 -0.4551 -0.5158 PRESSURE: 1338000 237.498 148.811 94.7834 148.811 -1.79566 -101.786 94.7837 -101.787 48.3314 GPRESSURE: 1338000 179.287 77.4743 133.735 158.045 184.688 -138.094 -28.7234 148.933 23.275 PRESSAVG: 1338000 2.99059 -3.51257 15.1314 -3.51252 -1.69757 -55.3553 15.1314 -55.3554 -4.76072 GPRESSAVG: 1338000 1.99584 -3.28679 16.6661 -5.27429 0.284895 -54.561 13.8725 -53.574 -5.4094 TIMING: 1338000 CPU: 4247.37, 0.00322925/step Wall: 4247.37, 0.00322925/step, 3.28487 hours remaining, 236.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1338000 3959.3907 20606.7716 14399.0664 248.7059 -203424.6114 2513.5384 0.0000 0.0000 52123.1964 -109573.9419 299.5527 -161697.1384 -109213.6768 299.3251 94.6779 129.0832 759152.7711 -1.1559 -1.0429 PRESSURE: 1338200 -57.9207 39.0458 -203.145 39.0462 -147.12 -174.097 -203.146 -174.098 429.953 GPRESSURE: 1338200 -32.1854 13.6846 -147.975 29.3897 -46.6806 -222.517 -139.291 26.8979 385.826 PRESSAVG: 1338200 52.3293 -76.2693 -21.871 -76.2693 1.81395 -29.0791 -21.871 -29.0792 -25.6304 GPRESSAVG: 1338200 52.9897 -75.6631 -23.4891 -77.0846 0.411073 -30.1537 -21.3919 -31.4312 -24.5489 TIMING: 1338200 CPU: 4248.02, 0.00322911/step Wall: 4248.02, 0.00322911/step, 3.28454 hours remaining, 236.359375 MB of memory in use. ENERGY: 1338200 4017.8257 20448.3082 14488.8918 235.0884 -203278.2570 2223.5045 0.0000 0.0000 52259.7908 -109604.8476 300.3377 -161864.6384 -109240.0393 299.7298 74.9706 102.3201 759421.3249 9.5043 9.6173 PRESSURE: 1338400 47.3336 28.2477 -295.378 28.2482 -16.9565 -177.91 -295.378 -177.911 375.585 GPRESSURE: 1338400 49.5558 -84.2677 -309.714 -66.2452 34.0212 -191.494 -188.458 -97.9201 390.746 PRESSAVG: 1338400 11.5107 -35.6261 -47.2788 -35.626 -7.95917 -60.208 -47.2787 -60.2081 1.88388 GPRESSAVG: 1338400 10.4712 -37.5624 -47.7252 -33.4997 -7.35698 -58.6546 -47.6744 -59.775 2.15463 TIMING: 1338400 CPU: 4248.67, 0.00324912/step Wall: 4248.67, 0.00324912/step, 3.30472 hours remaining, 236.359375 MB of memory in use. ENERGY: 1338400 3968.7191 20595.0201 14438.4421 237.4264 -202902.7495 2070.2673 0.0000 0.0000 52081.7478 -109511.1267 299.3145 -161592.8745 -109142.4039 299.0671 135.3207 158.1077 760761.1494 1.8118 1.7563 PRESSURE: 1338600 -288.04 195.032 232.713 195.033 -169.079 26.3818 232.714 26.3813 60.7671 GPRESSURE: 1338600 -163.507 217.17 189.158 153.506 -94.0323 1.67792 259.565 84.5057 -51.029 PRESSAVG: 1338600 -3.97414 -30.7359 2.48544 -30.7359 -10.4299 -71.1461 2.48533 -71.1461 -6.59902 GPRESSAVG: 1338600 -2.40737 -30.2231 1.85543 -31.0009 -10.7802 -72.187 1.07029 -71.2956 -7.9597 TIMING: 1338600 CPU: 4249.32, 0.00322757/step Wall: 4249.32, 0.00322757/step, 3.28262 hours remaining, 236.359375 MB of memory in use. ENERGY: 1338600 4005.2444 20484.2908 14520.9395 257.4226 -203211.7419 2435.3567 0.0000 0.0000 52097.2846 -109411.2033 299.4038 -161508.4879 -109047.3030 299.7024 -132.1173 -102.8560 761398.4337 -7.0010 -7.0491 PRESSURE: 1338800 160.766 -27.8162 48.1662 -27.8158 290.349 -224.95 48.1658 -224.949 39.2832 GPRESSURE: 1338800 242.688 19.9797 9.84379 42.9823 244.729 -127.956 135.58 -25.5704 108.223 PRESSAVG: 1338800 12.6743 -31.1467 -40.6165 -31.1468 -42.461 -13.5006 -40.6165 -13.5006 -1.5542 GPRESSAVG: 1338800 12.351 -29.7768 -38.5139 -32.9671 -43.6728 -12.9004 -40.8252 -13.7182 -0.0936061 TIMING: 1338800 CPU: 4249.96, 0.00323698/step Wall: 4249.96, 0.00323698/step, 3.29201 hours remaining, 236.359375 MB of memory in use. ENERGY: 1338800 3905.2862 20608.3007 14466.8415 238.4890 -203751.0450 2743.8164 0.0000 0.0000 52322.0995 -109466.2117 300.6958 -161788.3112 -109108.1777 299.5734 163.4659 198.5468 761334.5232 -10.4470 -10.4718 PRESSURE: 1339000 108.92 -130.809 22.3694 -130.81 111.151 -115.032 22.369 -115.033 -37.144 GPRESSURE: 1339000 153.162 -122.306 1.08627 -100.709 192.144 -165.259 80.9807 -13.0364 -70.7885 PRESSAVG: 1339000 43.7252 -60.111 -3.38382 -60.111 -58.7956 -41.8176 -3.38381 -41.8176 14.2513 GPRESSAVG: 1339000 43.2141 -60.3621 -4.63236 -59.8111 -57.1931 -42.5379 -0.0394245 -42.41 13.5446 TIMING: 1339000 CPU: 4250.61, 0.00321775/step Wall: 4250.61, 0.00321775/step, 3.27228 hours remaining, 236.359375 MB of memory in use. ENERGY: 1339000 3897.4702 20562.1768 14460.9794 252.5169 -203667.2122 2698.6268 0.0000 0.0000 52284.3452 -109511.0970 300.4789 -161795.4421 -109147.0917 299.5635 60.9759 91.5058 760764.5552 -0.2730 -0.1448 PRESSURE: 1339200 339.113 36.2342 -18.0835 36.234 180.694 -201.571 -18.0834 -201.57 278.22 GPRESSURE: 1339200 369.492 -52.1483 5.84246 120.322 191.405 -149.401 -84.6051 -209.611 325.93 PRESSAVG: 1339200 -18.0162 -61.0045 -48.2848 -61.0045 2.35477 -59.6492 -48.2849 -59.6492 -14.9664 GPRESSAVG: 1339200 -17.2583 -62.6799 -46.3228 -59.5204 1.48965 -60.8291 -50.0664 -58.9035 -14.8214 TIMING: 1339200 CPU: 4251.25, 0.00320789/step Wall: 4251.25, 0.00320789/step, 3.26207 hours remaining, 236.359375 MB of memory in use. ENERGY: 1339200 3916.5061 20446.7514 14450.5743 255.6440 -203781.1444 2979.7034 0.0000 0.0000 51994.5877 -109737.3774 298.8136 -161731.9651 -109371.9674 298.6463 266.0091 295.6093 761310.1211 -10.2093 -10.1967 PRESSURE: 1339400 -95.5702 -16.4617 -81.6363 -16.4612 69.8973 -65.6688 -81.6364 -65.6687 -37.4558 GPRESSURE: 1339400 -52.0543 -76.528 -33.2942 92.3734 40.1085 -75.3863 -0.376074 -32.9285 43.8888 PRESSAVG: 1339400 65.2305 -57.7631 3.08807 -57.7631 -37.6982 0.363575 3.08805 0.363585 5.66054 GPRESSAVG: 1339400 65.0491 -57.0715 1.57172 -58.4065 -37.6443 1.48664 5.99282 1.45415 5.65968 TIMING: 1339400 CPU: 4251.89, 0.00321265/step Wall: 4251.89, 0.00321265/step, 3.26673 hours remaining, 236.359375 MB of memory in use. ENERGY: 1339400 3923.8370 20625.7442 14465.7724 245.9839 -203365.8777 2618.9504 0.0000 0.0000 51758.4063 -109727.1834 297.4563 -161485.5898 -109367.8327 298.4778 -21.0429 10.6477 761167.9818 11.0643 11.0215 PRESSURE: 1339600 230.641 -4.41762 164.452 -4.41783 -206.403 -0.816041 164.452 -0.816231 348.188 GPRESSURE: 1339600 250.056 12.9253 200.151 -61.9988 -110.915 48.7555 99.6913 -112.389 330.257 PRESSAVG: 1339600 51.278 -35.2951 22.623 -35.2951 -22.3524 -28.1535 22.623 -28.1535 -19.5303 GPRESSAVG: 1339600 50.5549 -35.7779 22.6098 -35.036 -22.1409 -27.4222 19.512 -29.8579 -19.658 TIMING: 1339600 CPU: 4252.54, 0.00323468/step Wall: 4252.54, 0.00323468/step, 3.28895 hours remaining, 236.359375 MB of memory in use. ENERGY: 1339600 4008.1082 20568.5796 14404.7858 252.1289 -203805.1894 2698.3551 0.0000 0.0000 52017.9044 -109855.3273 298.9476 -161873.2317 -109497.2899 299.0466 124.1420 156.4662 759297.1437 3.1318 2.9187 PRESSURE: 1339800 -2.47126 12.8515 -42.0611 12.8514 43.677 -129.453 -42.0611 -129.453 203.785 GPRESSURE: 1339800 9.41695 -77.7495 6.01981 -99.6263 43.2884 -123.341 -46.2349 -218.907 257.715 PRESSAVG: 1339800 27.0971 -83.69 3.05791 -83.6899 -36.309 -43.8402 3.05796 -43.8402 9.966 GPRESSAVG: 1339800 26.6806 -82.1242 1.75187 -85.9871 -37.487 -46.0517 5.28749 -44.5906 11.2885 TIMING: 1339800 CPU: 4253.18, 0.00322976/step Wall: 4253.18, 0.00322976/step, 3.28377 hours remaining, 236.359375 MB of memory in use. ENERGY: 1339800 3943.0758 20540.0070 14487.4381 246.4299 -203480.9553 2634.0823 0.0000 0.0000 52105.7486 -109524.1737 299.4525 -161629.9222 -109169.4648 299.4020 81.6637 103.4735 760427.8969 0.2514 0.1607 PRESSURE: 1340000 -22.2485 -190.399 47.4119 -190.399 -201.985 -210.886 47.4118 -210.886 -80.7965 GPRESSURE: 1340000 -1.93186 -249.686 60.0274 -204.339 -122.875 -234.764 45.418 -238.326 -103.899 PRESSAVG: 1340000 45.658 -76.0818 -35.8509 -76.0818 -74.7238 -35.2871 -35.8509 -35.2871 4.83606 GPRESSAVG: 1340000 47.9648 -78.3042 -36.0783 -75.1347 -73.8995 -35.9749 -35.0277 -35.0801 2.43258 TIMING: 1340000 CPU: 4253.83, 0.00320973/step Wall: 4253.83, 0.00320973/step, 3.26323 hours remaining, 236.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1340000 3966.6962 20587.2325 14485.5198 240.6444 -203346.0702 2658.0725 0.0000 0.0000 52004.3465 -109403.5584 298.8697 -161407.9048 -109043.9616 299.2772 -101.6765 -76.2352 762124.5923 -8.0766 -7.8341 PRESSURE: 1340200 -356.302 -107.449 128.348 -107.449 -504.242 -60.4706 128.348 -60.4709 -338.58 GPRESSURE: 1340200 -320.411 -104.934 74.6445 -24.1751 -353.05 -5.66645 41.9994 -69.1664 -425.19 PRESSAVG: 1340200 75.8852 -80.6701 13.9244 -80.6702 -54.1539 -36.8629 13.9244 -36.8629 3.75623 GPRESSAVG: 1340200 74.0013 -80.0816 14.8064 -78.7056 -53.7928 -35.1417 9.95424 -36.9837 4.62963 TIMING: 1340200 CPU: 4254.47, 0.00323386/step Wall: 4254.47, 0.00323386/step, 3.28758 hours remaining, 236.359375 MB of memory in use. ENERGY: 1340200 4033.8455 20603.8657 14482.3542 250.3878 -203115.0184 2311.3875 0.0000 0.0000 51970.9284 -109462.2492 298.6776 -161433.1776 -109099.8564 299.6500 -399.7079 -366.2171 760738.8666 8.4958 8.2794 LDB: ============= START OF LOAD BALANCING ============== 4266.93 LDB: ============== END OF LOAD BALANCING =============== 4266.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4266.93 LDB: ============= START OF LOAD BALANCING ============== 4267.25 LDB: Largest compute 7059 load 0.038053 is 19.5% of average load 0.195089 LDB: Average compute 0.004416 is 2.3% of average load 0.195089 LDB: TIME 4267.26 LOAD: AVG 0.195089 MAX 0.217766 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 4267.26 LOAD: AVG 0.195089 MAX 0.217766 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: TIME 4267.26 LOAD: AVG 0.195089 MAX 0.217665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: ============== END OF LOAD BALANCING =============== 4267.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4267.26 PRESSURE: 1340400 204.956 -114.427 -21.0054 -114.427 -369.39 137.739 -21.0049 137.739 -245.094 GPRESSURE: 1340400 132.564 -111.437 77.1917 -57.1593 -324.528 106.987 95.3952 93.5584 -146.326 PRESSAVG: 1340400 22.6738 -24.1453 24.2371 -24.1453 0.254955 -16.2773 24.2371 -16.2772 26.886 GPRESSAVG: 1340400 23.5783 -22.8766 23.597 -26.4326 -0.550993 -15.8713 27.5662 -16.1456 26.8915 TIMING: 1340400 CPU: 4255.13, 0.00328621/step Wall: 4255.13, 0.0032862/step, 3.34061 hours remaining, 237.382812 MB of memory in use. ENERGY: 1340400 4013.1400 20709.6931 14520.2767 253.5426 -203439.7272 2484.2618 0.0000 0.0000 52088.1233 -109370.6898 299.3512 -161458.8131 -109020.8271 299.4722 -136.5093 -112.7633 759778.4591 16.6049 16.6396 PRESSURE: 1340600 -276.589 23.0137 225.646 23.0129 34.0628 71.9252 225.647 71.9237 -513.388 GPRESSURE: 1340600 -151.614 8.47837 218.778 46.0345 4.6562 86.0185 151.835 35.2001 -503.028 PRESSAVG: 1340600 92.47 -47.5244 -2.22284 -47.5243 -104.023 -90.5005 -2.22281 -90.5005 -12.2735 GPRESSAVG: 1340600 93.3397 -47.9644 -1.45269 -46.1459 -105.137 -91.2618 -3.74966 -88.4399 -12.3789 TIMING: 1340600 CPU: 4255.77, 0.00318461/step Wall: 4255.77, 0.00318462/step, 3.23716 hours remaining, 237.585938 MB of memory in use. ENERGY: 1340600 4026.0075 20576.6625 14413.6274 232.9776 -202804.9874 2179.0945 0.0000 0.0000 52086.4558 -109290.1621 299.3416 -161376.6179 -108939.2126 300.0962 -251.9715 -216.6621 763354.0297 -7.9422 -8.0586 PRESSURE: 1340800 125.128 241.632 110.292 241.633 61.3126 -10.8214 110.293 -10.8229 -121.148 GPRESSURE: 1340800 154.159 128.247 81.0434 97.8638 22.4927 -89.9232 9.33502 -62.5811 -38.503 PRESSAVG: 1340800 24.9389 -32.9466 -0.413512 -32.9466 -24.4313 -65.1299 -0.413438 -65.1299 -8.18291 GPRESSAVG: 1340800 24.2249 -32.1218 -1.46898 -33.2841 -24.2291 -65.6361 -0.651344 -67.3295 -7.8211 TIMING: 1340800 CPU: 4256.41, 0.00321546/step Wall: 4256.41, 0.00321546/step, 3.26834 hours remaining, 237.585938 MB of memory in use. ENERGY: 1340800 3999.6977 20422.6004 14482.7131 251.6119 -203436.5678 2744.3836 0.0000 0.0000 52400.0381 -109135.5230 301.1437 -161535.5611 -108763.3155 299.8869 21.7644 46.0495 761920.5473 -2.5585 -2.6084 PRESSURE: 1341000 -327.854 34.6144 227.086 34.6136 -81.8597 7.46676 227.085 7.46641 -94.6642 GPRESSURE: 1341000 -103.324 89.9292 206.73 -102.008 -178.168 -38.2428 181.974 -32.726 -127.989 PRESSAVG: 1341000 -2.67844 -26.622 -24.0645 -26.622 -37.6896 -52.6247 -24.0645 -52.6248 17.7693 GPRESSAVG: 1341000 -3.29102 -27.677 -23.9589 -26.8306 -36.9865 -54.0609 -21.798 -50.9339 17.5849 TIMING: 1341000 CPU: 4257.06, 0.0032306/step Wall: 4257.06, 0.0032306/step, 3.28355 hours remaining, 237.585938 MB of memory in use. ENERGY: 1341000 3988.1540 20337.1267 14431.1530 219.5316 -203068.4156 2525.1896 0.0000 0.0000 52221.1932 -109346.0674 300.1159 -161567.2606 -108979.2367 299.8392 -168.1259 -136.4937 761827.2360 -7.5329 -7.5642 PRESSURE: 1341200 -84.2613 81.1232 310.3 81.1225 -112.892 157.09 310.299 157.091 -26.9224 GPRESSURE: 1341200 -4.07755 72.2821 189.954 -51.0267 -100.868 201.487 248.486 -26.1095 -25.5274 PRESSAVG: 1341200 28.8552 -16.46 -14.3726 -16.46 -3.37728 3.86095 -14.3726 3.861 -7.41504 GPRESSAVG: 1341200 29.5716 -15.1396 -14.882 -17.6351 -3.30788 7.37271 -16.4686 1.64082 -7.71043 TIMING: 1341200 CPU: 4257.69, 0.00319433/step Wall: 4257.69, 0.00319434/step, 3.24651 hours remaining, 237.585938 MB of memory in use. ENERGY: 1341200 3974.2370 20442.9517 14479.1570 241.9716 -203191.5589 2314.6851 0.0000 0.0000 52346.1124 -109392.4442 300.8338 -161738.5567 -109023.6980 299.9490 -74.6919 -43.4910 760019.5982 6.0210 6.1844 PRESSURE: 1341400 6.41783 197.283 75.8948 197.283 308.599 106.643 75.8951 106.642 -326.638 GPRESSURE: 1341400 -11.506 241.306 105.321 163.169 305.398 75.394 36.8243 161.6 -221.976 PRESSAVG: 1341400 33.7586 -8.15385 -16.9678 -8.15386 3.39327 -38.1372 -16.9678 -38.1372 -6.13309 GPRESSAVG: 1341400 33.3158 -8.10632 -15.9544 -8.11052 3.79336 -38.8493 -16.7354 -38.8428 -5.81433 TIMING: 1341400 CPU: 4258.34, 0.00322412/step Wall: 4258.34, 0.00322412/step, 3.2766 hours remaining, 237.585938 MB of memory in use. ENERGY: 1341400 4058.3547 20601.9767 14487.4944 248.4394 -203311.4564 2612.9471 0.0000 0.0000 52170.6276 -109131.6165 299.8253 -161302.2441 -108777.2442 299.8473 -3.8737 23.9719 759704.8606 10.3396 10.4316 PRESSURE: 1341600 173.233 102.258 -148.803 102.258 -212.093 -250.486 -148.803 -250.486 249.873 GPRESSURE: 1341600 219.898 90.2558 -194.746 -29.768 -134.071 -194.599 -55.2723 -274.403 212.636 PRESSAVG: 1341600 -9.53361 -57.9897 -11.9355 -57.9897 -10.9551 -68.7489 -11.9354 -68.7488 21.908 GPRESSAVG: 1341600 -8.79517 -60.4516 -12.3194 -55.8753 -13.2621 -69.5312 -11.2023 -65.4222 23.5385 TIMING: 1341600 CPU: 4258.98, 0.0032173/step Wall: 4258.98, 0.0032173/step, 3.26949 hours remaining, 237.585938 MB of memory in use. ENERGY: 1341600 3996.5118 20531.1544 14408.4663 267.3749 -203656.8537 2947.4836 0.0000 0.0000 52305.0280 -109200.8347 300.5977 -161505.8627 -108851.3971 300.0449 70.3377 99.4877 761752.3150 0.4731 0.4937 PRESSURE: 1341800 195.56 -68.9014 22.0333 -68.9014 221.168 122.62 22.0335 122.621 522.6 GPRESSURE: 1341800 284.315 -89.7317 6.39696 -54.8855 208.397 54.7292 -71.7817 -20.7963 533.478 PRESSAVG: 1341800 -0.490986 -43.9865 4.15349 -43.9865 -3.92887 -88.117 4.1535 -88.117 -3.47292 GPRESSAVG: 1341800 -0.840571 -42.7292 4.28455 -43.7533 -1.85832 -87.8746 4.43101 -89.3681 -5.02324 TIMING: 1341800 CPU: 4259.63, 0.00321809/step Wall: 4259.63, 0.00321809/step, 3.27012 hours remaining, 237.585938 MB of memory in use. ENERGY: 1341800 3986.1696 20465.7587 14480.8254 258.3108 -204204.0310 3346.6469 0.0000 0.0000 52368.1302 -109298.1894 300.9604 -161666.3196 -108939.6800 300.3285 313.1092 342.0634 758416.2026 -2.6309 -2.5740 PRESSURE: 1342000 -90.3556 -163.164 233.52 -163.164 -200.796 -205.533 233.52 -205.532 49.7528 GPRESSURE: 1342000 22.6167 -108.969 204.041 -143.193 -129.68 -225.859 117.187 -101.976 -53.3183 PRESSAVG: 1342000 -17.3647 -14.9874 -10.6504 -14.9874 9.78925 -79.8803 -10.6503 -79.8804 -15.8284 GPRESSAVG: 1342000 -16.8589 -14.3985 -10.0156 -15.627 10.3155 -79.9751 -12.2227 -80.1849 -17.0323 TIMING: 1342000 CPU: 4260.26, 0.00318744/step Wall: 4260.26, 0.00318744/step, 3.2388 hours remaining, 237.585938 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: 1342000 4015.2903 20570.1501 14375.4996 238.3218 -203265.1907 2640.6212 0.0000 0.0000 51938.9651 -109486.3426 298.4939 -161425.3077 -109122.3141 299.8503 -80.4663 -53.4604 760226.4696 -7.8013 -7.8586 PRESSURE: 1342200 -232.911 -211.075 -110.976 -211.075 75.2597 -217.284 -110.976 -217.285 -36.202 GPRESSURE: 1342200 -191.568 -95.3262 -106.084 -305.734 104.44 -228.452 -46.691 -318.489 -28.8739 PRESSAVG: 1342200 -10.7937 -39.2262 -4.92246 -39.2262 -11.8333 4.22235 -4.92241 4.22237 -5.77002 GPRESSAVG: 1342200 -9.81921 -39.8671 -5.37578 -37.7268 -13.2597 1.87076 -2.62984 4.0233 -4.5754 TIMING: 1342200 CPU: 4260.9, 0.00319219/step Wall: 4260.9, 0.00319219/step, 3.24344 hours remaining, 237.585938 MB of memory in use. ENERGY: 1342200 4019.7052 20474.4655 14528.1773 249.3239 -203598.9009 2669.6688 0.0000 0.0000 52271.6034 -109385.9569 300.4056 -161657.5603 -109023.6230 300.2073 -64.6179 -38.6676 760197.8428 -9.4657 -9.2181 PRESSURE: 1342400 197.997 -2.08516 -29.941 -2.08466 -5.27295 -411.502 -29.9406 -411.501 -86.2698 GPRESSURE: 1342400 240.139 0.572324 -88.9388 35.0455 -25.0614 -361.862 -92.47 -397.731 -24.8134 PRESSAVG: 1342400 -35.5219 -15.1396 -31.9823 -15.1396 60.59 -71.869 -31.9823 -71.8689 10.3052 GPRESSAVG: 1342400 -37.9299 -15.5102 -31.2396 -16.0709 61.2452 -70.5923 -34.7743 -72.1893 11.1233 TIMING: 1342400 CPU: 4261.54, 0.00318466/step Wall: 4261.54, 0.00318466/step, 3.23561 hours remaining, 237.585938 MB of memory in use. ENERGY: 1342400 3964.7153 20618.2505 14510.7463 248.0514 -203631.8778 2611.3800 0.0000 0.0000 52100.2121 -109578.5222 299.4206 -161678.7343 -109218.1705 299.5297 35.4849 63.4213 758114.1569 11.7911 11.4796 PRESSURE: 1342600 -225.495 96.66 29.7333 96.6604 -372.332 -87.4124 29.7337 -87.4129 -49.5935 GPRESSURE: 1342600 -141.791 -23.7177 66.9709 -36.8556 -348.99 -2.03389 27.1436 -136.956 -60.3291 PRESSAVG: 1342600 70.6281 -66.2926 -21.766 -66.2926 -34.4637 -50.3504 -21.766 -50.3504 16.9838 GPRESSAVG: 1342600 71.8621 -65.0511 -22.7283 -67.4576 -34.3066 -49.7454 -22.7176 -49.8407 15.5403 TIMING: 1342600 CPU: 4262.18, 0.00321728/step Wall: 4262.18, 0.00321728/step, 3.26857 hours remaining, 237.585938 MB of memory in use. ENERGY: 1342600 4007.9814 20509.5504 14445.7767 244.4005 -203676.4511 2550.0593 0.0000 0.0000 52128.5171 -109790.1657 299.5833 -161918.6828 -109424.2972 299.9067 -215.8069 -183.7035 759672.5728 17.7161 17.6986 PRESSURE: 1342800 115.574 -216.206 186.818 -216.205 -106.931 70.5415 186.817 70.5413 608.025 GPRESSURE: 1342800 182.915 -214.65 236.27 -91.8894 -38.9332 81.7607 278.647 108.73 578.749 PRESSAVG: 1342800 44.0143 -71.2097 15.6099 -71.2098 -43.3553 -11.5066 15.6099 -11.5066 -8.54177 GPRESSAVG: 1342800 43.6312 -70.6453 16.3529 -70.2481 -42.9663 -11.1622 15.2835 -12.6378 -8.18003 TIMING: 1342800 CPU: 4262.82, 0.00318739/step Wall: 4262.82, 0.00318739/step, 3.23803 hours remaining, 237.585938 MB of memory in use. ENERGY: 1342800 4000.5620 20533.7407 14480.7764 259.3999 -203640.8088 2540.8627 0.0000 0.0000 51989.7062 -109835.7611 298.7856 -161825.4672 -109474.4821 298.6769 205.5559 240.9104 758916.5946 -2.6276 -2.5051 PRESSURE: 1343000 209.173 -259.749 -20.3893 -259.748 -45.8991 -93.4869 -20.3897 -93.4859 256.888 GPRESSURE: 1343000 209.572 -288.62 -3.81862 -163.797 -14.3347 3.0344 -141.975 16.6611 291.269 PRESSAVG: 1343000 22.3048 -72.1986 3.37087 -72.1986 -18.9229 -23.5082 3.37084 -23.5082 29.5499 GPRESSAVG: 1343000 23.0427 -73.214 1.56501 -70.4013 -19.3481 -23.1258 5.77166 -20.4113 28.9068 TIMING: 1343000 CPU: 4263.46, 0.00321206/step Wall: 4263.46, 0.00321206/step, 3.26292 hours remaining, 237.585938 MB of memory in use. ENERGY: 1343000 3958.7747 20631.3367 14491.8539 249.9814 -203477.8970 2532.7075 0.0000 0.0000 51829.9663 -109783.2764 297.8675 -161613.2427 -109424.8292 299.0191 140.0539 162.1687 760307.5504 10.9773 10.8671 PRESSURE: 1343200 142.396 -91.1256 45.2867 -91.1259 -43.0529 33.4942 45.2857 33.4941 231.497 GPRESSURE: 1343200 225.949 -29.1572 -9.19236 -192.042 -83.1945 3.91154 -62.5577 -1.12865 288.289 PRESSAVG: 1343200 37.3571 -95.4941 27.5043 -95.4941 -63.0443 3.20355 27.5042 3.20355 -15.5289 GPRESSAVG: 1343200 36.7391 -95.7994 28.1425 -98.6297 -63.3133 2.63511 26.1876 0.574641 -14.0334 TIMING: 1343200 CPU: 4264.1, 0.00319925/step Wall: 4264.1, 0.00319925/step, 3.24973 hours remaining, 237.585938 MB of memory in use. ENERGY: 1343200 3996.8875 20556.8824 14431.7530 239.3199 -203533.2569 2637.6398 0.0000 0.0000 51912.1678 -109758.6065 298.3399 -161670.7743 -109389.5250 299.1524 110.2801 143.6812 759901.5567 -13.7387 -13.5359 PRESSURE: 1343400 25.8907 -15.2475 -17.5922 -15.2468 -278.621 -76.0017 -17.5923 -76.0003 -178.204 GPRESSURE: 1343400 35.7029 -56.741 -13.6795 -93.9396 -180.794 -180.783 114.122 -74.9016 -200.278 PRESSAVG: 1343400 0.809932 -52.9662 27.707 -52.9662 -15.4464 -10.577 27.7071 -10.577 -10.8833 GPRESSAVG: 1343400 0.599233 -53.2932 27.1209 -52.8909 -14.6584 -9.88612 29.4821 -9.95379 -11.1234 TIMING: 1343400 CPU: 4264.74, 0.00319771/step Wall: 4264.74, 0.00319772/step, 3.24799 hours remaining, 237.585938 MB of memory in use. ENERGY: 1343400 3984.1286 20553.0015 14471.8353 244.3940 -203461.3934 2185.7094 0.0000 0.0000 52042.6673 -109979.6573 299.0899 -162022.3246 -109603.0485 298.9995 -143.6447 -115.1228 758971.3977 -8.5066 -8.3942 PRESSURE: 1343600 -150.745 -159.329 82.2956 -159.329 -159.19 193.565 82.2956 193.565 200.288 GPRESSURE: 1343600 -141.156 -161.71 66.5326 -139.955 -130.953 197.844 34.4864 215.715 240.763 PRESSAVG: 1343600 -32.4304 -99.5083 33.3563 -99.5083 55.2024 -5.49592 33.3563 -5.49587 18.0304 GPRESSAVG: 1343600 -31.8339 -98.1884 35.1964 -99.1834 55.0313 -5.87673 31.6558 -5.83016 17.8889 TIMING: 1343600 CPU: 4265.38, 0.00318555/step Wall: 4265.38, 0.00318555/step, 3.23546 hours remaining, 237.585938 MB of memory in use. ENERGY: 1343600 3988.6920 20381.3934 14453.7090 246.6312 -203662.3709 2640.4639 0.0000 0.0000 51945.0346 -110006.4467 298.5288 -161951.4814 -109638.3250 298.1436 -36.5489 -10.4485 761766.8698 13.6008 13.6954 PRESSURE: 1343800 -30.3938 -225.159 228.302 -225.159 -146.297 44.3863 228.302 44.3857 299.547 GPRESSURE: 1343800 31.8256 -127.073 209.756 -185.717 -79.1197 -42.8968 126.505 128.56 275.793 PRESSAVG: 1343800 37.8209 -72.3518 38.142 -72.3518 -14.6934 -25.3712 38.1421 -25.3711 -15.2185 GPRESSAVG: 1343800 37.7284 -72.3458 36.0366 -71.9489 -14.7449 -24.077 37.7712 -25.8214 -15.3539 TIMING: 1343800 CPU: 4266.02, 0.0031963/step Wall: 4266.02, 0.0031963/step, 3.2462 hours remaining, 237.585938 MB of memory in use. ENERGY: 1343800 3991.2315 20530.3375 14441.7096 240.2260 -203313.5865 2306.8603 0.0000 0.0000 51952.5186 -109850.7031 298.5718 -161803.2216 -109493.3679 298.1115 40.9519 76.1663 757718.0120 2.6363 2.5432 PRESSURE: 1344000 -132.604 -9.12203 -287.024 -9.12281 -2.76382 16.3959 -287.023 16.3965 279.499 GPRESSURE: 1344000 -90.0837 -128.806 -279.452 -121.809 16.2405 -43.325 -206.51 80.2726 320.329 PRESSAVG: 1344000 24.2673 -94.6361 -6.5068 -94.6361 -24.2929 -27.5504 -6.50679 -27.5504 -2.80965 GPRESSAVG: 1344000 23.8516 -96.285 -5.42608 -95.1388 -25.213 -28.9462 -6.03383 -27.1899 -1.21407 TIMING: 1344000 CPU: 4266.66, 0.00320439/step Wall: 4266.66, 0.00320439/step, 3.25424 hours remaining, 237.585938 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: 1344000 3923.6767 20666.1773 14408.6543 229.1179 -203356.1662 2283.9120 0.0000 0.0000 52021.0614 -109823.5667 298.9658 -161844.6281 -109463.4223 298.9014 48.0438 82.1621 758735.2885 -0.9451 -0.8585 PRESSURE: 1344200 165.383 -9.58104 95.4231 -9.58136 -70.2299 56.0734 95.4222 56.0738 -52.112 GPRESSURE: 1344200 234.128 -50.7329 9.18494 -56.4551 -45.3703 93.4375 92.4225 29.6817 -54.5194 PRESSAVG: 1344200 53.8036 -62.1609 58.257 -62.161 -25.9808 -2.3495 58.2569 -2.34941 19.0177 GPRESSAVG: 1344200 54.0924 -60.3041 56.5041 -62.7733 -25.2547 -4.06287 58.9921 -1.54475 18.4179 TIMING: 1344200 CPU: 4267.3, 0.00320208/step Wall: 4267.3, 0.00320208/step, 3.25172 hours remaining, 237.585938 MB of memory in use. ENERGY: 1344200 4005.6345 20467.0814 14434.4810 243.5496 -203299.6531 2402.4847 0.0000 0.0000 51833.2485 -109913.1733 297.8864 -161746.4218 -109556.3732 298.9148 14.3472 44.7460 760997.8573 15.6135 15.7518 LDB: ============= START OF LOAD BALANCING ============== 4279.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4279.76 LDB: =============== DONE WITH MIGRATION ================ 4279.76 LDB: ============= START OF LOAD BALANCING ============== 4280.08 LDB: Largest compute 7068 load 0.037941 is 19.4% of average load 0.195084 LDB: Average compute 0.004428 is 2.3% of average load 0.195084 LDB: TIME 4280.08 LOAD: AVG 0.195084 MAX 0.223145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4280.08 LOAD: AVG 0.195084 MAX 0.223145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: TIME 4280.08 LOAD: AVG 0.195084 MAX 0.214582 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: ============== END OF LOAD BALANCING =============== 4280.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4280.09 PRESSURE: 1344400 193.097 31.795 -0.746222 31.7958 70.78 -152.743 -0.746381 -152.743 332.076 GPRESSURE: 1344400 257.092 66.144 -79.2058 62.1646 151.578 -86.5805 -115.851 43.3313 265.34 PRESSAVG: 1344400 2.17951 -53.6418 -6.57578 -53.6417 -22.507 -11.4798 -6.57581 -11.4798 -3.78736 GPRESSAVG: 1344400 2.2697 -52.0995 -5.90189 -52.9798 -22.4648 -9.76907 -6.38867 -10.424 -4.25161 TIMING: 1344400 CPU: 4267.95, 0.00326589/step Wall: 4267.95, 0.00326589/step, 3.31633 hours remaining, 236.871094 MB of memory in use. ENERGY: 1344400 4039.6999 20456.0067 14416.0990 233.8228 -203566.6609 2632.0476 0.0000 0.0000 51856.9404 -109932.0446 298.0225 -161788.9850 -109571.8104 298.2949 198.6508 224.6702 759697.0662 -8.0383 -8.1489 PRESSURE: 1344600 -303.703 -73.5137 47.3628 -73.5143 -317.626 -314.124 47.3625 -314.124 95.5554 GPRESSURE: 1344600 -272.671 53.7998 45.1907 -129.644 -260.618 -274.208 4.06855 -259.057 88.3955 PRESSAVG: 1344600 22.2604 -59.1243 -14.3378 -59.1244 -23.2978 -4.96012 -14.3378 -4.96004 12.9464 GPRESSAVG: 1344600 22.4393 -59.1205 -13.8949 -59.797 -23.7745 -3.85369 -15.7318 -4.17817 13.3012 TIMING: 1344600 CPU: 4268.59, 0.00319984/step Wall: 4268.59, 0.00319984/step, 3.24909 hours remaining, 236.871094 MB of memory in use. ENERGY: 1344600 4003.5942 20405.4597 14443.0826 246.7241 -203318.9654 2308.6606 0.0000 0.0000 51948.0788 -109963.3656 298.5463 -161911.4443 -109607.8258 298.3805 -175.2577 -148.2978 760658.9506 3.9697 3.9887 PRESSURE: 1344800 246.925 174.35 -135.439 174.35 -390.586 -2.81598 -135.438 -2.81544 -108.501 GPRESSURE: 1344800 277.501 189.118 -155.151 210.459 -338.958 -79.498 -121.62 62.4611 -98.5285 PRESSAVG: 1344800 12.0615 -54.12 -13.8602 -54.1201 -35.8801 -11.9294 -13.8601 -11.9295 -1.9907 GPRESSAVG: 1344800 10.3178 -55.5592 -15.3324 -52.5133 -34.4625 -14.5415 -12.7566 -13.6032 -2.27705 TIMING: 1344800 CPU: 4269.23, 0.0031902/step Wall: 4269.23, 0.0031902/step, 3.23912 hours remaining, 236.871094 MB of memory in use. ENERGY: 1344800 3932.9523 20330.4980 14457.9189 259.2137 -203160.9248 2446.8515 0.0000 0.0000 51842.0844 -109891.4060 297.9372 -161733.4904 -109518.7573 298.3011 -84.0541 -53.3287 760618.5946 -8.6031 -8.8072 PRESSURE: 1345000 -150.211 -141.071 47.0452 -141.072 -55.2215 62.5561 47.0442 62.5561 316.632 GPRESSURE: 1345000 -52.4777 -92.4881 11.722 -147.839 -74.2971 19.5677 56.233 7.51603 314.59 PRESSAVG: 1345000 11.0633 -58.4985 -0.231819 -58.4986 -23.9139 -8.09995 -0.231847 -8.09989 -23.5545 GPRESSAVG: 1345000 13.1627 -57.8542 0.612014 -58.5834 -26.1654 -6.35501 -0.267015 -8.73699 -22.9936 TIMING: 1345000 CPU: 4269.87, 0.00319864/step Wall: 4269.87, 0.00319864/step, 3.24751 hours remaining, 236.871094 MB of memory in use. ENERGY: 1345000 3984.4110 20515.5836 14401.0221 260.9021 -203424.4853 2435.5723 0.0000 0.0000 52097.3894 -109729.6049 299.4044 -161826.9943 -109373.3210 298.4125 37.0665 62.6052 760152.3648 -12.1350 -11.9988 PRESSURE: 1345200 -148.482 -160.484 -81.6756 -160.484 -30.894 -143.117 -81.6765 -143.117 -42.3431 GPRESSURE: 1345200 -64.8495 -177.875 -51.4255 -66.5719 -9.52544 -245.167 -103.116 -45.4306 -44.1487 PRESSAVG: 1345200 0.989969 -1.94529 -44.4142 -1.94532 3.99609 22.3076 -44.4142 22.3076 24.2965 GPRESSAVG: 1345200 1.14348 -2.4587 -44.026 -2.16267 4.37946 20.646 -43.8272 21.2355 24.1204 TIMING: 1345200 CPU: 4270.51, 0.00321107/step Wall: 4270.51, 0.00321107/step, 3.25995 hours remaining, 236.871094 MB of memory in use. ENERGY: 1345200 3977.7854 20443.3107 14411.0320 222.3991 -203271.0350 2510.5167 0.0000 0.0000 51984.3183 -109721.6728 298.7546 -161705.9911 -109363.9375 298.9122 -73.9062 -39.5079 760602.0392 9.7608 9.8811 PRESSURE: 1345400 306.478 -98.0709 -192.599 -98.071 -28.4634 -92.2255 -192.599 -92.2251 425.937 GPRESSURE: 1345400 217.814 -173.615 -106.51 -92.0285 97.8347 -44.6267 -201.015 -95.7566 461.686 PRESSAVG: 1345400 18.3077 8.30056 -29.7443 8.30057 -4.9251 -55.6937 -29.7443 -55.6937 12.6736 GPRESSAVG: 1345400 16.742 9.95406 -30.7638 8.1145 -2.89323 -54.4339 -31.997 -53.5553 12.3664 TIMING: 1345400 CPU: 4271.15, 0.0032131/step Wall: 4271.15, 0.0032131/step, 3.26184 hours remaining, 236.871094 MB of memory in use. ENERGY: 1345400 3886.9516 20425.6299 14528.4220 267.7521 -203811.0188 3108.7382 0.0000 0.0000 51857.5053 -109736.0196 298.0258 -161593.5250 -109378.4336 298.5794 234.6505 259.1116 760367.4632 8.6854 8.7384 PRESSURE: 1345600 -162.268 -76.4395 -188.302 -76.4391 -235.706 -232.637 -188.302 -232.637 -14.9615 GPRESSURE: 1345600 -182.246 -87.2583 -151.616 -60.2702 -205.392 -229.084 -70.9216 -366.487 67.9407 PRESSAVG: 1345600 -31.6429 -45.1584 -26.7611 -45.1584 22.6801 -85.9952 -26.761 -85.9952 12.7453 GPRESSAVG: 1345600 -31.8736 -47.0471 -25.6549 -46.0118 21.8917 -84.2462 -25.6931 -85.6505 13.5427 TIMING: 1345600 CPU: 4271.79, 0.00319007/step Wall: 4271.79, 0.00319007/step, 3.23828 hours remaining, 236.871094 MB of memory in use. ENERGY: 1345600 3980.6761 20530.7585 14559.2315 238.2140 -203311.0600 2399.5189 0.0000 0.0000 52013.1352 -109589.5259 298.9202 -161602.6611 -109244.7364 298.8763 -137.6452 -106.5658 762141.0296 1.2609 1.1869 PRESSURE: 1345800 -545.329 70.0392 -38.2198 70.0394 32.6592 87.7806 -38.2196 87.7803 -321.809 GPRESSURE: 1345800 -366.428 63.7821 -96.9025 -15.3433 -81.2808 17.0236 33.4211 10.3411 -307.299 PRESSAVG: 1345800 16.7139 -73.6897 12.002 -73.6897 1.21682 -3.80299 12.002 -3.80297 15.0166 GPRESSAVG: 1345800 17.8451 -71.8631 11.8933 -73.4388 0.796322 -6.65297 13.9542 -4.31366 14.6297 TIMING: 1345800 CPU: 4272.44, 0.00322765/step Wall: 4272.44, 0.00322765/step, 3.27625 hours remaining, 236.871094 MB of memory in use. ENERGY: 1345800 4005.9622 20535.3961 14548.1151 250.2130 -203570.1614 2517.5632 0.0000 0.0000 51961.2467 -109751.6651 298.6220 -161712.9118 -109393.3003 299.0891 -278.1596 -251.6694 761410.2644 10.9825 11.0904 PRESSURE: 1346000 -213.742 -50.8271 13.9337 -50.8266 -124.369 16.4958 13.9327 16.4957 147.315 GPRESSURE: 1346000 -171.982 -27.23 -18.986 -75.8599 -52.6603 59.2572 -12.2424 107.111 125.322 PRESSAVG: 1346000 -1.00875 -88.1384 -6.885 -88.1384 4.11828 -59.8151 -6.885 -59.8151 12.1744 GPRESSAVG: 1346000 -1.44729 -90.5239 -6.78653 -86.854 4.47607 -60.2267 -7.55421 -57.6247 11.7248 TIMING: 1346000 CPU: 4273.08, 0.00322141/step Wall: 4273.08, 0.00322141/step, 3.26973 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1346000 4031.6984 20422.1850 14526.1273 228.9439 -203866.7534 2639.0729 0.0000 0.0000 52100.8573 -109917.8685 299.4243 -162018.7259 -109554.7627 298.8257 -63.5987 -33.1070 758813.0608 5.0946 4.9179 PRESSURE: 1346200 346.52 153.253 193.379 153.253 230.3 -207.975 193.379 -207.975 253.466 GPRESSURE: 1346200 362.801 199.338 103.518 101.456 313.891 -213.661 106.047 -161.065 241.637 PRESSAVG: 1346200 -0.542385 -33.0258 -2.95941 -33.0258 -2.14991 -50.1793 -2.95941 -50.1794 -7.55773 GPRESSAVG: 1346200 -0.0327018 -30.196 -4.28246 -33.7337 -3.16821 -48.2436 -2.67498 -49.849 -7.25618 TIMING: 1346200 CPU: 4273.73, 0.00323781/step Wall: 4273.73, 0.00323781/step, 3.28619 hours remaining, 236.871094 MB of memory in use. ENERGY: 1346200 3977.2914 20480.4835 14412.0165 229.5088 -203956.4503 2847.1581 0.0000 0.0000 52089.2168 -109920.7753 299.3574 -162009.9921 -109555.7711 299.1338 276.7621 306.1099 758819.1334 -3.4167 -3.4857 PRESSURE: 1346400 -99.2783 -235.952 274.778 -235.953 -157.616 -103.384 274.779 -103.383 -57.514 GPRESSURE: 1346400 33.4619 -222.911 265.395 -185.957 -197.564 -82.3606 267.084 -227.237 -60.4418 PRESSAVG: 1346400 -20.3484 -10.9084 -40.2433 -10.9084 36.6302 -17.1904 -40.2433 -17.1905 -3.4073 GPRESSAVG: 1346400 -21.5876 -11.5465 -39.3116 -12.1503 38.5174 -18.1255 -41.5271 -19.5097 -4.62167 TIMING: 1346400 CPU: 4274.37, 0.00321265/step Wall: 4274.37, 0.00321265/step, 3.26048 hours remaining, 236.871094 MB of memory in use. ENERGY: 1346400 3986.0077 20360.2364 14466.7192 241.4251 -203930.0318 2728.0234 0.0000 0.0000 52251.4030 -109896.2169 300.2895 -162147.6199 -109536.1235 298.7228 -104.8026 -74.8479 760509.3219 4.2915 4.1027 PRESSURE: 1346600 -85.9968 -89.2129 -121.775 -89.2125 78.4214 139.929 -121.776 139.929 337.658 GPRESSURE: 1346600 25.9128 65.164 -43.5347 -187.213 66.6904 164.529 -116.516 152.045 343.065 PRESSAVG: 1346600 -10.4937 -27.4693 -12.3027 -27.4694 29.4121 -10.2149 -12.3027 -10.2149 6.47538 GPRESSAVG: 1346600 -8.79098 -26.5215 -11.4501 -23.5303 28.5009 -9.10734 -13.4788 -8.99207 6.00373 TIMING: 1346600 CPU: 4275.02, 0.00324386/step Wall: 4275.02, 0.00324386/step, 3.29198 hours remaining, 236.871094 MB of memory in use. ENERGY: 1346600 3943.0351 20638.4039 14398.0797 239.8396 -203991.7837 2963.4510 0.0000 0.0000 51982.4621 -109826.5124 298.7439 -161808.9745 -109464.1380 298.6623 110.0275 145.2227 760375.0184 8.4646 8.5712 PRESSURE: 1346800 -192.958 30.0111 109.646 30.0112 79.5957 49.1081 109.647 49.1068 -329.166 GPRESSURE: 1346800 -145.464 -87.0548 41.833 72.3985 87.1766 55.9411 108.444 31.105 -285.033 PRESSAVG: 1346800 16.8782 -30.6679 -5.05876 -30.6679 -24.9036 -35.8029 -5.05878 -35.8029 -10.4418 GPRESSAVG: 1346800 16.1457 -31.6503 -4.97614 -33.7094 -24.5052 -36.0169 -4.45869 -38.7139 -10.1498 TIMING: 1346800 CPU: 4275.68, 0.00327394/step Wall: 4275.68, 0.00327394/step, 3.32232 hours remaining, 236.871094 MB of memory in use. ENERGY: 1346800 3961.2626 20479.8620 14427.9057 240.7797 -203747.9658 2694.5463 0.0000 0.0000 52105.6823 -109837.9271 299.4521 -161943.6094 -109476.1174 299.0697 -147.5092 -114.4401 760883.5574 -6.1557 -6.1698 PRESSURE: 1347000 155.3 22.2437 35.9138 22.2438 370.839 -72.1489 35.9142 -72.1488 341.179 GPRESSURE: 1347000 184.215 1.3451 52.9187 -57.1248 465.946 -72.9146 55.7366 19.2355 296.889 PRESSAVG: 1347000 23.0854 -44.024 4.3838 -44.024 20.2976 -0.328986 4.38371 -0.329035 -1.12633 GPRESSAVG: 1347000 21.7631 -43.7531 2.53593 -43.6452 21.1351 -0.808921 6.6165 3.91758 -0.757788 TIMING: 1347000 CPU: 4276.32, 0.00323719/step Wall: 4276.32, 0.00323719/step, 3.28485 hours remaining, 236.871094 MB of memory in use. ENERGY: 1347000 3882.0550 20613.4108 14470.6028 245.5570 -203671.1870 2800.6972 0.0000 0.0000 51966.3792 -109692.4850 298.6515 -161658.8642 -109343.2442 298.4051 289.1059 315.6833 759431.7863 14.0855 14.0468 PRESSURE: 1347200 349.059 -18.8538 85.9578 -18.8533 87.4275 -88.3276 85.9571 -88.3286 117.365 GPRESSURE: 1347200 362.133 -10.7184 3.9026 34.3964 121.816 -146.996 7.55483 -100.824 158.098 PRESSAVG: 1347200 -21.9199 -24.3767 9.91435 -24.3768 38.9617 -60.6273 9.91429 -60.6273 -4.27777 GPRESSAVG: 1347200 -21.6024 -24.2219 9.96303 -25.1109 38.6734 -59.8346 7.18334 -62.1725 -4.34964 TIMING: 1347200 CPU: 4276.97, 0.00323719/step Wall: 4276.97, 0.00323719/step, 3.28467 hours remaining, 236.871094 MB of memory in use. ENERGY: 1347200 3950.7622 20545.2742 14507.4089 237.6555 -203609.8079 2791.5555 0.0000 0.0000 52112.3560 -109464.7957 299.4904 -161577.1516 -109109.2733 299.3779 184.6172 214.0159 760958.1034 4.2547 4.2404 PRESSURE: 1347400 -199.848 63.5067 -32.466 63.5065 -135.456 -104.275 -32.4667 -104.274 -206.901 GPRESSURE: 1347400 -177.807 104.874 36.2509 -96.7716 -107.43 -74.0625 68.5558 -21.7739 -188.038 PRESSAVG: 1347400 -44.668 -37.3841 -9.89171 -37.3842 53.4711 -33.8867 -9.89173 -33.8867 7.56955 GPRESSAVG: 1347400 -42.205 -36.487 -9.85829 -35.5529 52.0216 -36.366 -6.86927 -33.6766 6.91448 TIMING: 1347400 CPU: 4277.62, 0.00323358/step Wall: 4277.62, 0.00323358/step, 3.28082 hours remaining, 236.871094 MB of memory in use. ENERGY: 1347400 4000.7365 20494.2704 14473.8868 262.9523 -203010.1882 2413.4737 0.0000 0.0000 51949.5226 -109415.3458 298.5546 -161364.8685 -109054.2999 299.5342 -180.7350 -157.7583 764180.4995 5.4576 5.5770 PRESSURE: 1347600 84.126 90.4796 -117.908 90.479 33.8162 -38.3562 -117.908 -38.3555 -146.501 GPRESSURE: 1347600 36.9076 102.143 -227.772 83.3036 136.999 -66.2766 -36.4246 -99.5057 -123.05 PRESSAVG: 1347600 -62.5947 -33.3943 -24.7352 -33.3943 90.4276 23.4791 -24.7352 23.4791 -15.6878 GPRESSAVG: 1347600 -64.9376 -32.2361 -24.9407 -33.7608 91.8229 23.6119 -25.9294 20.8649 -15.52 TIMING: 1347600 CPU: 4278.26, 0.00320732/step Wall: 4278.26, 0.00320732/step, 3.254 hours remaining, 236.871094 MB of memory in use. ENERGY: 1347600 3936.9429 20504.0580 14571.0060 232.0462 -203530.9929 2662.1234 0.0000 0.0000 52241.4869 -109383.3295 300.2325 -161624.8165 -109012.1885 299.2953 -9.5196 16.9523 761887.7180 4.0484 3.7884 PRESSURE: 1347800 -48.7845 2.50346 -100.026 2.50283 -130.45 171.354 -100.027 171.353 -335.988 GPRESSURE: 1347800 57.8124 -9.50467 -77.1882 78.8769 -137.389 189.984 -19.3963 223.403 -344.828 PRESSAVG: 1347800 -35.9744 -15.7855 -38.6488 -15.7855 27.7396 -6.20886 -38.6487 -6.20881 -0.217517 GPRESSAVG: 1347800 -34.2505 -17.7369 -36.1441 -16.7583 26.2958 -5.5943 -39.5987 -5.03838 -0.804362 TIMING: 1347800 CPU: 4278.91, 0.00323701/step Wall: 4278.91, 0.00323701/step, 3.28395 hours remaining, 236.871094 MB of memory in use. ENERGY: 1347800 3985.0374 20584.3196 14468.9210 247.0239 -203005.3532 2495.0476 0.0000 0.0000 51895.1241 -109329.8797 298.2420 -161225.0038 -108975.4234 299.6941 -171.7410 -141.4681 763460.8560 -2.8175 -2.9197 PRESSURE: 1348000 -405.533 78.5126 -198.361 78.5134 -197.386 -83.0459 -198.36 -83.0464 -142.669 GPRESSURE: 1348000 -366.229 -19.9717 -154.415 -3.85656 -221.465 -117.029 -165.024 -7.11684 -83.234 PRESSAVG: 1348000 -24.2539 -22.2552 -8.88566 -22.2553 9.83287 23.1744 -8.88575 23.1744 16.0476 GPRESSAVG: 1348000 -24.5429 -21.4249 -9.31594 -22.8572 9.905 23.24 -8.13867 23.4383 16.3904 TIMING: 1348000 CPU: 4279.56, 0.00324527/step Wall: 4279.56, 0.00324527/step, 3.29215 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1348000 4019.4320 20535.2318 14523.4370 240.1135 -203180.1470 2314.0565 0.0000 0.0000 52123.7517 -109424.1246 299.5559 -161547.8763 -109063.7508 299.4956 -248.5295 -223.6428 762949.4969 0.5422 0.5842 PRESSURE: 1348200 448.169 9.2786 -220.855 9.27926 61.1839 170.206 -220.854 170.205 -133.226 GPRESSURE: 1348200 439.09 -54.8486 -225.992 0.0353065 172.186 172.89 -234.037 217.764 -170.751 PRESSAVG: 1348200 -10.9215 -16.5003 5.76141 -16.5003 21.838 11.8305 5.76141 11.8305 -4.95941 GPRESSAVG: 1348200 -11.4336 -18.9328 4.37838 -15.7982 23.2512 13.4838 6.20037 13.0578 -5.85476 TIMING: 1348200 CPU: 4280.21, 0.00326262/step Wall: 4280.21, 0.00326262/step, 3.30957 hours remaining, 236.871094 MB of memory in use. ENERGY: 1348200 4036.2904 20440.9542 14489.5810 217.2758 -203488.3064 2776.5943 0.0000 0.0000 52271.8661 -109255.7446 300.4071 -161527.6107 -108898.6164 299.3819 125.3755 146.8419 761343.7816 1.9857 1.9876 LDB: ============= START OF LOAD BALANCING ============== 4292.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4292.67 LDB: =============== DONE WITH MIGRATION ================ 4292.67 LDB: ============= START OF LOAD BALANCING ============== 4293 LDB: Largest compute 7059 load 0.038987 is 20.0% of average load 0.195028 LDB: Average compute 0.004444 is 2.3% of average load 0.195028 LDB: TIME 4293 LOAD: AVG 0.195028 MAX 0.214384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.922 MB LDB: TIME 4293 LOAD: AVG 0.195028 MAX 0.214384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: TIME 4293 LOAD: AVG 0.195028 MAX 0.214384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.992 MB LDB: ============== END OF LOAD BALANCING =============== 4293.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4293.01 PRESSURE: 1348400 -127.104 -156.315 -171.243 -156.314 379.505 82.5734 -171.243 82.5727 -603.177 GPRESSURE: 1348400 -48.274 -119.879 -166.823 -128.351 324.335 104.727 -126.452 41.1924 -529.87 PRESSAVG: 1348400 38.2411 -89.7016 -16.9021 -89.7016 -30.2959 3.60855 -16.9022 3.6085 12.3774 GPRESSAVG: 1348400 38.6806 -87.3486 -16.0766 -91.1485 -32.2187 2.92792 -19.5468 4.2771 13.7847 TIMING: 1348400 CPU: 4280.88, 0.0033352/step Wall: 4280.88, 0.0033352/step, 3.383 hours remaining, 238.648438 MB of memory in use. ENERGY: 1348400 3968.9063 20585.3006 14512.4880 276.7453 -203042.1386 2617.2160 0.0000 0.0000 51922.1772 -109159.3052 298.3975 -161081.4824 -108802.2361 300.0541 -116.9251 -84.6029 763130.2143 6.7742 6.7489 PRESSURE: 1348600 103.663 173.481 232.97 173.482 316.904 94.7976 232.97 94.798 -249.062 GPRESSURE: 1348600 66.2118 124.206 193.477 143.564 319.59 89.6752 267.491 179.742 -131.058 PRESSAVG: 1348600 32.6007 -10.7789 4.86593 -10.7789 -20.8708 57.8251 4.86586 57.825 -15.0313 GPRESSAVG: 1348600 31.9692 -11.3669 4.79933 -8.89483 -20.127 56.4577 5.18692 58.1645 -15.1597 TIMING: 1348600 CPU: 4281.52, 0.00324333/step Wall: 4281.52, 0.00324333/step, 3.28964 hours remaining, 238.847656 MB of memory in use. ENERGY: 1348600 3954.9577 20475.7037 14448.2586 232.9165 -203272.9146 2583.3233 0.0000 0.0000 52042.6776 -109535.0770 299.0900 -161577.7546 -109169.8979 300.1809 57.1684 84.9144 761399.5448 -1.1005 -1.1058 PRESSURE: 1348800 49.9364 -1.27297 -96.4457 -1.27333 -33.0681 48.0192 -96.4462 48.0193 90.7846 GPRESSURE: 1348800 50.2567 -66.2937 -141.981 -24.7398 -18.288 60.6167 -64.4772 10.4282 157.28 PRESSAVG: 1348800 9.04448 -73.6 -0.162728 -73.6001 -34.4956 51.3489 -0.162689 51.3489 7.65957 GPRESSAVG: 1348800 9.06868 -73.4397 1.21932 -72.4117 -34.0153 51.3898 2.40917 49.2764 7.51769 TIMING: 1348800 CPU: 4282.17, 0.00325037/step Wall: 4282.17, 0.00325037/step, 3.29659 hours remaining, 238.847656 MB of memory in use. ENERGY: 1348800 3899.6219 20449.3701 14459.2448 252.7767 -203562.9083 2755.9453 0.0000 0.0000 52097.0785 -109648.8711 299.4026 -161745.9496 -109288.4164 298.8627 35.8843 63.0828 760293.2738 -5.9305 -5.8097 PRESSURE: 1349000 -286.302 77.6664 -313.984 77.6664 9.75354 -27.7766 -313.982 -27.7758 -306.602 GPRESSURE: 1349000 -213.38 -20.7796 -287.352 169.598 -14.1065 66.2344 -322.2 -41.1236 -282.714 PRESSAVG: 1349000 40.5597 -19.2233 56.9075 -19.2233 -20.7789 1.84065 56.9076 1.84068 2.64139 GPRESSAVG: 1349000 41.2869 -18.7125 56.5702 -19.95 -21.112 2.30813 55.8351 2.6136 1.73312 TIMING: 1349000 CPU: 4282.82, 0.00323042/step Wall: 4282.82, 0.00323042/step, 3.27618 hours remaining, 238.847656 MB of memory in use. ENERGY: 1349000 4098.3097 20465.7311 14541.4925 235.8677 -203069.3791 2122.7748 0.0000 0.0000 51802.3400 -109802.8632 297.7088 -161605.2032 -109434.6065 298.3534 -194.3835 -170.0669 760597.7689 7.4741 7.3027 PRESSURE: 1349200 -98.5724 -139.488 124.146 -139.488 11.0104 45.4963 124.146 45.4962 118.847 GPRESSURE: 1349200 -58.3007 -132.134 185.73 -65.4004 26.143 36.3624 65.678 106.469 143.816 PRESSAVG: 1349200 91.0599 -14.1329 -37.626 -14.133 -70.3172 27.5471 -37.6261 27.547 28.2056 GPRESSAVG: 1349200 90.9553 -14.0273 -39.3169 -14.2814 -70.2711 26.8969 -37.7478 29.3743 28.2249 TIMING: 1349200 CPU: 4283.47, 0.00322468/step Wall: 4283.47, 0.00322468/step, 3.27018 hours remaining, 238.847656 MB of memory in use. ENERGY: 1349200 3979.7600 20459.7044 14468.8809 231.4453 -203496.1201 2512.5299 0.0000 0.0000 52051.3918 -109792.4077 299.1401 -161843.7995 -109438.5015 298.5617 10.4283 37.2195 760723.2233 16.3161 16.3030 PRESSURE: 1349400 -216.412 -65.4017 218.185 -65.4013 -224.833 165.531 218.184 165.531 -107.394 GPRESSURE: 1349400 -158.989 -102.55 197.943 65.63 -208.202 67.69 85.5555 230.363 -86.8433 PRESSAVG: 1349400 40.492 -25.995 5.04433 -25.995 -51.9951 19.1763 5.04435 19.1763 2.04023 GPRESSAVG: 1349400 39.2562 -25.6479 4.2391 -27.0977 -50.2814 18.6683 3.31366 18.75 1.93074 TIMING: 1349400 CPU: 4284.12, 0.00325695/step Wall: 4284.12, 0.00325695/step, 3.30272 hours remaining, 238.847656 MB of memory in use. ENERGY: 1349400 3972.9895 20375.5053 14484.5947 256.6554 -203181.4690 2432.9643 0.0000 0.0000 52051.8075 -109606.9523 299.1425 -161658.7598 -109243.4361 298.7318 -182.8798 -151.3448 761543.5371 -3.1543 -3.0315 PRESSURE: 1349600 46.3313 -10.3733 -9.10231 -10.3731 36.8665 156.426 -9.10241 156.426 143.13 GPRESSURE: 1349600 67.1293 122.727 61.5962 51.0238 97.335 210.011 -174.645 96.5895 134.716 PRESSAVG: 1349600 69.7191 -42.5519 -25.2528 -42.5519 -40.6597 29.5802 -25.2528 29.5801 3.12784 GPRESSAVG: 1349600 69.1029 -41.4323 -23.523 -40.6634 -40.1317 32.1642 -21.9266 26.1015 3.47327 TIMING: 1349600 CPU: 4284.77, 0.00327132/step Wall: 4284.77, 0.00327132/step, 3.31712 hours remaining, 238.847656 MB of memory in use. ENERGY: 1349600 3805.8987 20509.9876 14485.2741 240.7449 -203147.0538 2411.0043 0.0000 0.0000 52159.2120 -109534.9324 299.7597 -161694.1444 -109175.5240 298.7787 75.4426 99.7269 761657.1727 10.7291 10.8148 PRESSURE: 1349800 -130.337 -264.787 58.941 -264.787 96.6126 -37.1364 58.9406 -37.1348 62.5298 GPRESSURE: 1349800 2.07247 -258.775 -5.65698 -235.537 99.484 -11.264 61.5247 50.1445 15.6335 PRESSAVG: 1349800 36.4111 -51.0959 -45.1814 -51.0959 -30.2951 8.85385 -45.1815 8.85377 -12.3607 GPRESSAVG: 1349800 37.9016 -51.8566 -47.177 -52.605 -32.3927 8.24699 -45.6644 9.37509 -12.0738 TIMING: 1349800 CPU: 4285.42, 0.00325657/step Wall: 4285.42, 0.00325657/step, 3.30198 hours remaining, 238.847656 MB of memory in use. ENERGY: 1349800 3964.4472 20568.6917 14532.8624 243.0687 -203160.8207 2469.9794 0.0000 0.0000 52108.0522 -109273.7191 299.4657 -161381.7713 -108908.3337 299.2046 9.6016 39.0633 762047.4110 -2.0816 -2.1883 PRESSURE: 1350000 41.3573 -92.5809 -112.252 -92.5812 -104.168 203.202 -112.252 203.202 -19.5853 GPRESSURE: 1350000 127.733 -169.567 -65.2119 -124.005 -55.6074 231.35 -90.0183 161.433 -57.8073 PRESSAVG: 1350000 58.2589 -45.866 -7.75938 -45.866 -50.4573 12.064 -7.75945 12.0641 9.31397 GPRESSAVG: 1350000 57.6766 -48.1679 -7.28414 -46.1578 -50.8512 11.3751 -8.42719 11.9486 9.98878 TIMING: 1350000 CPU: 4286.07, 0.00325267/step Wall: 4286.07, 0.00325267/step, 3.29785 hours remaining, 238.847656 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: 1350000 3911.9207 20464.9938 14555.4381 240.5186 -203008.9964 2278.4395 0.0000 0.0000 52383.5680 -109174.1178 301.0491 -161557.6857 -108818.7617 299.2695 -27.4654 4.7728 762052.6918 5.7052 5.6047 PRESSURE: 1350200 -164.724 -232.863 -28.2109 -232.863 -172.402 50.0152 -28.2111 50.0145 -69.4626 GPRESSURE: 1350200 -165.445 -353.608 -39.5884 -40.462 -174.407 -115.841 -77.0403 45.0466 23.9004 PRESSAVG: 1350200 12.5637 7.07616 -40.3303 7.07612 17.431 6.81854 -40.3304 6.81862 -11.4296 GPRESSAVG: 1350200 12.5997 8.29167 -38.4073 8.4806 18.8236 5.20284 -42.3062 8.21819 -13.0212 TIMING: 1350200 CPU: 4286.72, 0.00324767/step Wall: 4286.72, 0.00324767/step, 3.2926 hours remaining, 238.847656 MB of memory in use. ENERGY: 1350200 4083.5957 20498.4526 14559.4513 247.8176 -203001.4915 2503.6535 0.0000 0.0000 52004.2134 -109104.3074 298.8689 -161108.5208 -108751.8387 299.6067 -135.5297 -105.3172 761599.1137 6.1884 6.1340 PRESSURE: 1350400 -200.126 -107.348 64.7455 -107.349 -66.9256 -378.642 64.745 -378.642 -19.7446 GPRESSURE: 1350400 -251.852 -88.3981 -9.78191 109.042 39.2361 -460.554 86.9044 -242.906 -6.11344 PRESSAVG: 1350400 15.5665 -21.9566 -70.3896 -21.9566 27.4626 10.251 -70.3896 10.2509 -14.5972 GPRESSAVG: 1350400 15.7919 -21.6337 -70.9827 -20.4245 26.4739 10.2556 -70.9394 11.6545 -13.9703 TIMING: 1350400 CPU: 4287.37, 0.00322558/step Wall: 4287.37, 0.00322558/step, 3.27003 hours remaining, 238.847656 MB of memory in use. ENERGY: 1350400 3989.3894 20660.9579 14482.5216 218.4904 -203342.9476 2513.3600 0.0000 0.0000 52330.8105 -109147.4178 300.7459 -161478.2283 -108784.9541 300.1431 -95.5988 -72.9097 763000.8750 9.4773 9.4318 PRESSURE: 1350600 113.875 162.288 161.813 162.288 -5.85915 -203.27 161.812 -203.269 244.92 GPRESSURE: 1350600 80.9151 137.932 184.141 88.2118 125.531 -105.212 61.8374 -129.896 225.157 PRESSAVG: 1350600 30.8624 -39.3018 -47.8231 -39.3018 -17.3439 -6.23704 -47.8231 -6.237 0.235341 GPRESSAVG: 1350600 29.679 -39.5075 -46.9449 -40.4304 -17.2595 -4.90392 -48.8052 -4.92371 1.25919 TIMING: 1350600 CPU: 4288.02, 0.00326901/step Wall: 4288.02, 0.00326901/step, 3.31386 hours remaining, 238.847656 MB of memory in use. ENERGY: 1350600 3959.7476 20518.8655 14512.8864 243.1815 -203336.7234 2803.0429 0.0000 0.0000 52207.2777 -109091.7218 300.0359 -161298.9995 -108727.9048 300.3954 117.6454 143.8678 762628.5977 4.5846 4.5596 PRESSURE: 1350800 205.958 56.7962 10.9868 56.7959 -130.432 -117.881 10.9876 -117.881 -152.955 GPRESSURE: 1350800 178.763 57.3856 54.7103 41.2703 -85.8562 -117.56 -47.9958 -114.219 -111.954 PRESSAVG: 1350800 -34.8299 -12.5296 -2.25361 -12.5295 -9.13531 -40.0212 -2.25362 -40.0212 11.7068 GPRESSAVG: 1350800 -34.9156 -13.7269 -3.8691 -12.5185 -8.82363 -38.1336 -0.377992 -42.6061 11.4282 TIMING: 1350800 CPU: 4288.67, 0.00325363/step Wall: 4288.67, 0.00325363/step, 3.29809 hours remaining, 238.847656 MB of memory in use. ENERGY: 1350800 3973.3045 20471.0938 14526.2937 215.3709 -203065.3491 2551.1991 0.0000 0.0000 52188.8560 -109139.2311 299.9301 -161328.0871 -108765.2946 299.8921 -25.8094 -6.3488 762560.4750 -10.7528 -10.7703 PRESSURE: 1351000 219.681 67.1677 -66.7874 67.1678 -151.832 41.5566 -66.7873 41.557 223.682 GPRESSURE: 1351000 233.593 53.3964 -75.3493 12.3091 -60.8757 -12.6984 -9.98586 -40.5447 197.673 PRESSAVG: 1351000 91.4263 -10.6787 -42.0576 -10.6788 -68.3341 -48.7574 -42.0576 -48.7575 14.2289 GPRESSAVG: 1351000 92.0566 -7.97135 -40.4764 -12.1872 -68.6221 -50.8818 -40.2717 -48.7526 13.7932 TIMING: 1351000 CPU: 4289.31, 0.00321184/step Wall: 4289.31, 0.00321184/step, 3.25556 hours remaining, 238.847656 MB of memory in use. ENERGY: 1351000 3926.2123 20471.9636 14531.0924 236.0562 -203374.9360 2485.0987 0.0000 0.0000 52159.8751 -109564.6377 299.7635 -161724.5128 -109203.4944 299.0852 97.1767 123.4636 760849.5414 12.4404 12.4093 PRESSURE: 1351200 -132.545 90.0808 28.9052 90.0804 -102.419 1.54233 28.9046 1.54345 -307.832 GPRESSURE: 1351200 -133.136 71.2631 -2.49945 96.7031 -39.9247 28.3467 68.3943 -123.268 -285.528 PRESSAVG: 1351200 22.3553 33.6527 20.2562 33.6528 -4.2973 -50.9183 20.2562 -50.9182 2.89374 GPRESSAVG: 1351200 21.9451 32.1864 18.4945 33.3449 -4.46689 -50.1393 19.2145 -51.0825 3.61257 TIMING: 1351200 CPU: 4289.96, 0.00325263/step Wall: 4289.96, 0.00325263/step, 3.29672 hours remaining, 238.847656 MB of memory in use. ENERGY: 1351200 3974.5009 20401.0640 14536.2279 235.7059 -203468.4025 2639.4110 0.0000 0.0000 52055.9696 -109625.5232 299.1664 -161681.4928 -109260.1222 298.9297 -180.9319 -152.8628 760154.4474 6.9839 7.0302 PRESSURE: 1351400 -9.4264 -266.997 -203.227 -266.998 11.7473 89.9015 -203.228 89.9004 31.815 GPRESSURE: 1351400 -80.7257 -199.587 -220.589 -185.183 80.9786 13.2141 -97.8002 138.95 100.6 PRESSAVG: 1351400 44.2964 -56.2804 -83.2687 -56.2804 -55.6277 -55.3732 -83.2687 -55.3732 34.7434 GPRESSAVG: 1351400 43.2707 -54.0742 -83.3635 -55.5395 -53.911 -56.7009 -82.7328 -53.6972 33.9207 TIMING: 1351400 CPU: 4290.63, 0.00331868/step Wall: 4290.63, 0.00331868/step, 3.36349 hours remaining, 238.847656 MB of memory in use. ENERGY: 1351400 3964.2010 20690.0827 14521.6815 243.2511 -203297.6492 2403.6200 0.0000 0.0000 52115.2209 -109359.5920 299.5069 -161474.8129 -108994.7599 299.2189 11.3786 33.6175 759720.2303 7.8040 7.7601 PRESSURE: 1351600 197.643 -72.6078 13.1171 -72.6075 -286.937 146.296 13.1171 146.296 327.63 GPRESSURE: 1351600 144.913 -97.3908 48.835 -222.051 -158.18 30.6891 -74.4828 138.328 337.568 PRESSAVG: 1351600 26.2672 -41.7337 -53.1736 -41.7337 -35.5622 22.7669 -53.1736 22.7669 -2.65009 GPRESSAVG: 1351600 27.2699 -43.2536 -52.3203 -40.4816 -36.6417 24.0427 -54.9571 22.0053 -2.43508 TIMING: 1351600 CPU: 4291.28, 0.00323211/step Wall: 4291.28, 0.00323211/step, 3.27556 hours remaining, 238.847656 MB of memory in use. ENERGY: 1351600 3998.9178 20663.6034 14473.4360 237.4011 -203209.2293 2193.6260 0.0000 0.0000 52228.2657 -109413.9794 300.1566 -161642.2451 -109060.2590 299.5185 79.4453 108.1005 758848.9537 -3.9817 -3.9356 PRESSURE: 1351800 -371.065 130.665 -180.632 130.665 -256.446 -270.627 -180.632 -270.626 -454.747 GPRESSURE: 1351800 -372.821 153.06 -175.965 47.6176 -163.294 -289.781 -128.331 -169.551 -461.873 PRESSAVG: 1351800 -12.003 -27.5489 -27.2236 -27.5489 35.36 -28.5279 -27.2236 -28.5279 21.6227 GPRESSAVG: 1351800 -11.6154 -28.8246 -26.9333 -28.9759 35.8801 -28.8157 -27.0699 -27.8756 20.9663 TIMING: 1351800 CPU: 4291.91, 0.0031833/step Wall: 4291.91, 0.0031833/step, 3.22592 hours remaining, 238.847656 MB of memory in use. ENERGY: 1351800 3994.6505 20578.5237 14486.6839 229.0412 -203219.9780 2361.1982 0.0000 0.0000 52231.0261 -109338.8544 300.1724 -161569.8805 -108987.0903 300.1729 -360.7524 -332.6627 761861.3718 14.9932 15.0770 PRESSURE: 1352000 -258.979 81.551 -39.5419 81.5502 -63.75 -57.2606 -39.5418 -57.2617 -708.826 GPRESSURE: 1352000 -233.809 56.9055 65.322 119.508 -94.9079 -100.144 -176.366 36.4199 -606.38 PRESSAVG: 1352000 3.26693 -34.9013 -44.7571 -34.9012 -22.5426 54.7384 -44.7571 54.7385 -16.4207 GPRESSAVG: 1352000 2.80643 -33.4617 -44.6054 -36.3606 -23.5455 54.8099 -44.2269 53.842 -15.1462 TIMING: 1352000 CPU: 4292.55, 0.00321184/step Wall: 4292.55, 0.00321184/step, 3.25467 hours remaining, 238.847656 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: 1352000 4058.7999 20520.5656 14501.0427 246.3712 -202873.4166 2378.1158 0.0000 0.0000 51905.0253 -109263.4960 298.2989 -161168.5213 -108892.2119 299.1897 -343.8517 -311.6989 761543.7054 -11.8988 -11.9618 PRESSURE: 1352200 99.6985 68.5491 -194.12 68.5487 -173.798 -40.4382 -194.12 -40.4394 -42.2892 GPRESSURE: 1352200 136.537 82.1251 -181.864 44.0329 -176.885 8.24471 -154.091 -58.831 23.7227 PRESSAVG: 1352200 41.4278 -44.0541 -54.6902 -44.0541 -44.7258 3.26978 -54.6903 3.26985 -5.15111 GPRESSAVG: 1352200 41.9962 -44.9744 -55.8939 -41.6825 -44.3785 3.50406 -52.5495 3.13691 -5.79734 TIMING: 1352200 CPU: 4293.19, 0.00319732/step Wall: 4293.19, 0.00319732/step, 3.23978 hours remaining, 238.847656 MB of memory in use. ENERGY: 1352200 4019.5021 20576.4847 14508.6697 245.2817 -202973.6756 2325.6124 0.0000 0.0000 51936.9308 -109361.1943 298.4823 -161298.1251 -108989.6449 299.0879 -38.7961 -5.5419 759814.4781 -2.8164 -2.7266 LDB: ============= START OF LOAD BALANCING ============== 4305.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4305.65 LDB: =============== DONE WITH MIGRATION ================ 4305.65 LDB: ============= START OF LOAD BALANCING ============== 4305.97 LDB: Largest compute 7059 load 0.036979 is 19.0% of average load 0.195102 LDB: Average compute 0.004416 is 2.3% of average load 0.195102 LDB: TIME 4305.98 LOAD: AVG 0.195102 MAX 0.21307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.668 MB LDB: TIME 4305.98 LOAD: AVG 0.195102 MAX 0.21307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.668 MB LDB: TIME 4305.98 LOAD: AVG 0.195102 MAX 0.21307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.668 MB LDB: ============== END OF LOAD BALANCING =============== 4305.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4305.98 PRESSURE: 1352400 -185.033 169.944 142.909 169.943 222.763 -67.3406 142.909 -67.3409 -122.881 GPRESSURE: 1352400 -98.1373 84.2736 118.895 173.294 112.402 -15.258 41.6854 39.2951 -22.0963 PRESSAVG: 1352400 -45.5899 15.942 -54.6454 15.9419 26.2169 -29.1106 -54.6454 -29.1106 3.21785 GPRESSAVG: 1352400 -44.7348 16.8146 -52.8839 16.2331 25.5789 -28.5784 -57.0653 -27.8692 3.09062 TIMING: 1352400 CPU: 4293.85, 0.00326626/step Wall: 4293.85, 0.00326626/step, 3.30944 hours remaining, 236.667969 MB of memory in use. ENERGY: 1352400 3976.9418 20591.2461 14467.7218 234.7182 -203166.5920 2650.5079 0.0000 0.0000 51940.1903 -109305.2659 298.5010 -161245.4562 -108948.3240 299.8853 -28.3838 -2.6104 761098.6601 -5.3850 -5.3551 PRESSURE: 1352600 -394.897 140.802 -37.3073 140.801 -376.346 104.097 -37.3072 104.098 57.9261 GPRESSURE: 1352600 -312.489 113.063 26.2804 192.725 -364.993 29.588 -57.7749 289.925 63.1994 PRESSAVG: 1352600 -19.7157 29.6233 -6.88492 29.6233 37.0239 -14.5467 -6.88499 -14.5467 -7.34708 GPRESSAVG: 1352600 -19.7089 29.5095 -6.81147 29.6056 36.5722 -16.2135 -5.86421 -14.1078 -6.82858 TIMING: 1352600 CPU: 4294.49, 0.00320353/step Wall: 4294.49, 0.00320354/step, 3.24572 hours remaining, 236.667969 MB of memory in use. ENERGY: 1352600 4074.7434 20536.7896 14536.3201 246.5231 -202849.2093 2269.9591 0.0000 0.0000 52157.0566 -109027.8174 299.7473 -161184.8740 -108665.0305 300.1253 -237.7721 -204.7611 761125.9225 3.3204 3.3449 PRESSURE: 1352800 -24.3081 41.1643 -269.54 41.1648 -49.2757 92.5194 -269.54 92.5191 170.13 GPRESSURE: 1352800 47.452 20.5529 -243.541 46.8281 -81.8806 104.592 -312.922 74.3478 207.069 PRESSAVG: 1352800 -50.107 -9.86327 26.4179 -9.86333 32.7262 7.57889 26.4179 7.57887 4.95496 GPRESSAVG: 1352800 -49.8539 -9.35551 26.1293 -11.7459 33.1931 8.88547 24.5574 6.49201 4.13745 TIMING: 1352800 CPU: 4295.13, 0.00319279/step Wall: 4295.13, 0.00319279/step, 3.23465 hours remaining, 236.667969 MB of memory in use. ENERGY: 1352800 3989.5018 20692.2764 14534.5756 244.7225 -203311.4658 2326.6887 0.0000 0.0000 52252.3687 -109271.3320 300.2951 -161523.7007 -108913.7464 300.1028 32.1821 57.5466 759108.6397 -4.1419 -4.1744 PRESSURE: 1353000 -487.826 -18.9802 130.175 -18.9802 -308.921 49.1031 130.174 49.1034 13.5752 GPRESSURE: 1353000 -370.344 80.6367 181.955 19.2238 -342.51 157.738 99.8764 133.899 19.0958 PRESSAVG: 1353000 -20.7159 1.61813 -12.9896 1.61821 45.9073 -10.6103 -12.9897 -10.6103 23.333 GPRESSAVG: 1353000 -20.7252 2.52712 -14.0885 2.21107 45.9702 -9.46096 -11.7628 -10.7952 22.7407 TIMING: 1353000 CPU: 4295.77, 0.00322285/step Wall: 4295.77, 0.00322285/step, 3.26493 hours remaining, 236.667969 MB of memory in use. ENERGY: 1353000 4029.1446 20598.5564 14529.5535 245.2018 -203246.0575 2461.4117 0.0000 0.0000 52321.0840 -109061.1056 300.6900 -161382.1897 -108697.8085 300.5175 -261.0573 -231.2526 757938.4511 16.1748 15.9953 PRESSURE: 1353200 -174.723 -1.26979 -134.889 -1.26973 -86.815 -224.026 -134.889 -224.026 102.698 GPRESSURE: 1353200 -140.527 4.03394 -111.11 -65.2305 -127.417 -67.6942 -73.7948 -158.981 184.466 PRESSAVG: 1353200 19.2141 36.7567 10.0107 36.7567 -15.5099 -6.00579 10.0107 -6.00579 -11.2072 GPRESSAVG: 1353200 18.2022 35.0195 11.1478 38.3994 -15.4779 -7.91503 9.87018 -6.49684 -10.5114 TIMING: 1353200 CPU: 4296.42, 0.00322322/step Wall: 4296.42, 0.00322322/step, 3.26512 hours remaining, 236.667969 MB of memory in use. ENERGY: 1353200 4055.8810 20725.1146 14502.8078 262.7851 -203391.2212 2625.6007 0.0000 0.0000 52346.6644 -108872.3676 300.8370 -161219.0320 -108501.9312 300.9179 -52.9468 -27.8256 761081.6267 -2.5010 -2.5957 PRESSURE: 1353400 318.549 -5.15844 93.8864 -5.15864 -181.36 44.2801 93.8864 44.2809 126.361 GPRESSURE: 1353400 269.912 -0.258269 49.7545 -44.5235 -69.5106 -64.51 58.2055 -176.3 156.709 PRESSAVG: 1353400 -33.2147 67.2259 49.2146 67.2259 -16.5634 6.85056 49.2146 6.85055 17.0386 GPRESSAVG: 1353400 -34.9424 68.734 48.5459 64.9038 -16.0349 8.22009 48.3073 8.21356 18.3451 TIMING: 1353400 CPU: 4297.06, 0.00321825/step Wall: 4297.06, 0.00321825/step, 3.25991 hours remaining, 236.667969 MB of memory in use. ENERGY: 1353400 4036.6326 20556.9918 14447.2917 258.0618 -203197.0666 2640.7795 0.0000 0.0000 52404.0007 -108853.3084 301.1665 -161257.3091 -108485.9958 300.7599 87.8499 119.0367 762055.2413 -10.9132 -10.8774 PRESSURE: 1353600 81.614 51.0033 -78.6033 51.0029 118.847 241.738 -78.6037 241.737 -183.771 GPRESSURE: 1353600 76.7928 67.4283 -102.843 52.4699 134.718 177.891 -5.8069 134.141 -110.929 PRESSAVG: 1353600 31.0992 -33.3705 -65.7213 -33.3705 -27.828 3.10276 -65.7213 3.10278 -10.8341 GPRESSAVG: 1353600 32.3357 -32.103 -67.5002 -34.136 -28.9353 2.65078 -63.3384 0.874139 -11.303 TIMING: 1353600 CPU: 4297.7, 0.00322239/step Wall: 4297.7, 0.00322239/step, 3.26393 hours remaining, 236.667969 MB of memory in use. ENERGY: 1353600 4007.5236 20728.5455 14427.7203 254.8434 -203107.6093 2409.1280 0.0000 0.0000 52183.6324 -109096.2162 299.9001 -161279.8485 -108742.4021 300.4229 5.5634 33.5274 761029.6678 -2.5210 -2.6342 PRESSURE: 1353800 -474.968 -102.607 -182.131 -102.608 -562.373 -103.963 -182.133 -103.963 -240.146 GPRESSURE: 1353800 -514.061 26.0816 -200.833 -79.252 -429.919 -78.8016 -79.3286 89.9289 -236.767 PRESSAVG: 1353800 -44.1183 -25.335 18.719 -25.335 2.10001 27.6529 18.7191 27.6529 -5.10052 GPRESSAVG: 1353800 -45.3376 -26.4732 18.6246 -23.0369 4.31272 29.1099 18.1504 28.3891 -5.97921 TIMING: 1353800 CPU: 4298.35, 0.00324395/step Wall: 4298.35, 0.00324394/step, 3.28558 hours remaining, 236.667969 MB of memory in use. ENERGY: 1353800 3972.2731 20605.9289 14529.2218 256.6439 -202818.1726 2310.3515 0.0000 0.0000 52011.3176 -109132.4358 298.9098 -161143.7534 -108772.2681 299.6404 -425.8290 -393.5822 763734.4009 -15.7063 -15.6680 PRESSURE: 1354000 -26.9499 -209.263 6.97473 -209.263 126.721 -231.673 6.97522 -231.673 -111.238 GPRESSURE: 1354000 47.8517 -160.045 44.5343 -85.1641 160.559 -187.508 -109.994 -258.288 -151.344 PRESSAVG: 1354000 30.4074 -14.2131 -6.24294 -14.2132 -3.33597 -9.60052 -6.24299 -9.60045 -8.54377 GPRESSAVG: 1354000 30.9656 -14.8311 -3.0461 -15.2126 -3.56483 -10.7249 -7.57711 -9.64446 -9.54426 TIMING: 1354000 CPU: 4299, 0.00322512/step Wall: 4299, 0.00322512/step, 3.26633 hours remaining, 236.667969 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: 1354000 4007.8988 20508.3131 14461.7558 245.6387 -203426.1717 2721.8415 0.0000 0.0000 52360.0823 -109120.6415 300.9141 -161480.7238 -108749.5548 300.0201 -3.8224 19.0225 761867.1342 6.1759 5.9522 PRESSURE: 1354200 -375.625 169.633 6.50509 169.633 170.716 13.7451 6.5052 13.7451 -34.7167 GPRESSURE: 1354200 -337.618 39.4719 -95.62 163.979 145.136 46.6345 58.4112 -148.838 28.9448 PRESSAVG: 1354200 10.7145 -21.9293 18.3194 -21.9293 13.5893 -6.53316 18.3194 -6.53328 19.4734 GPRESSAVG: 1354200 9.46416 -23.2751 18.8448 -22.2934 13.3943 -6.54129 18.4504 -6.74596 20.5975 TIMING: 1354200 CPU: 4299.64, 0.00321063/step Wall: 4299.64, 0.00321063/step, 3.25147 hours remaining, 236.667969 MB of memory in use. ENERGY: 1354200 4029.4953 20702.3037 14409.9292 232.2737 -203040.8296 2418.6713 0.0000 0.0000 52184.6967 -109063.4597 299.9062 -161248.1564 -108703.9851 300.2417 -79.8753 -54.5126 763107.7450 14.5924 14.4853 PRESSURE: 1354400 -145.373 -146.684 -136.578 -146.684 -255.579 -260.07 -136.577 -260.071 79.88 GPRESSURE: 1354400 -27.9542 -128.34 -136.647 -140.504 -238.595 -225.56 -164.1 -205.576 39.4747 PRESSAVG: 1354400 -5.57723 -31.4356 16.6693 -31.4356 -16.5656 -17.3647 16.6693 -17.3647 -27.1769 GPRESSAVG: 1354400 -4.3271 -27.4193 15.7113 -32.2109 -17.5382 -18.3482 16.8763 -13.9062 -27.6854 TIMING: 1354400 CPU: 4300.28, 0.00322248/step Wall: 4300.28, 0.00322248/step, 3.2633 hours remaining, 236.667969 MB of memory in use. ENERGY: 1354400 4018.8393 20698.3815 14575.7307 248.3308 -203324.8568 2478.3812 0.0000 0.0000 52428.1119 -108877.0815 301.3051 -161305.1934 -108515.7542 300.3429 -107.0241 -75.6914 761402.8939 -16.4399 -16.5169 PRESSURE: 1354600 287.077 107.625 -53.1217 107.626 144.672 184.297 -53.1205 184.297 123.508 GPRESSURE: 1354600 391.602 109.844 -49.2273 94.4792 152.493 136.634 -79.7978 129.75 104.482 PRESSAVG: 1354600 -13.1832 -45.3601 21.3324 -45.36 17.0939 -65.0383 21.3324 -65.0384 -12.3532 GPRESSAVG: 1354600 -13.1536 -46.5156 20.2082 -43.6547 16.9183 -63.9728 20.6224 -68.3701 -11.7138 TIMING: 1354600 CPU: 4300.93, 0.00322282/step Wall: 4300.93, 0.00322282/step, 3.26346 hours remaining, 236.667969 MB of memory in use. ENERGY: 1354600 3987.5295 20528.6962 14539.3691 246.2990 -203548.8154 2759.2211 0.0000 0.0000 52288.4625 -109199.2380 300.5025 -161487.7005 -108835.5183 300.1884 185.0856 216.1923 761199.9729 -2.8141 -2.6497 PRESSURE: 1354800 -629.224 -104.382 61.5388 -104.382 -255.674 58.4667 61.5382 58.4661 19.3245 GPRESSURE: 1354800 -456.278 -89.9158 48.7161 48.7006 -231.1 23.1864 171.646 27.1309 -83.9298 PRESSAVG: 1354800 -18.3577 -0.535247 -35.7703 -0.535147 37.0055 -11.6206 -35.7703 -11.6207 -3.52726 GPRESSAVG: 1354800 -18.5657 0.0149662 -34.5143 -1.97878 37.3448 -11.3668 -36.0509 -9.02461 -3.81421 TIMING: 1354800 CPU: 4301.57, 0.00321645/step Wall: 4301.57, 0.00321645/step, 3.25683 hours remaining, 236.667969 MB of memory in use. ENERGY: 1354800 4028.9763 20661.0351 14420.5959 250.3693 -202749.8796 2151.9955 0.0000 0.0000 52174.0789 -109062.8286 299.8451 -161236.9075 -108700.4858 300.0645 -288.5245 -257.1027 762558.5095 5.0402 4.9883 PRESSURE: 1355000 40.6632 -165.794 89.1784 -165.793 -77.5014 -79.777 89.1782 -79.7769 40.4386 GPRESSURE: 1355000 127.274 -228.107 178.881 -88.74 -95.5643 -86.3478 57.8343 -33.0662 65.8151 PRESSAVG: 1355000 29.5777 -76.0837 0.141457 -76.0837 -58.4448 -37.9235 0.141496 -37.9236 -4.01182 GPRESSAVG: 1355000 29.757 -77.2507 -1.91311 -75.8778 -58.9367 -37.7002 0.71627 -39.893 -3.61401 TIMING: 1355000 CPU: 4302.22, 0.0032222/step Wall: 4302.22, 0.0032222/step, 3.26248 hours remaining, 236.667969 MB of memory in use. ENERGY: 1355000 3977.6212 20613.4097 14543.1737 238.6515 -202944.9468 2347.2898 0.0000 0.0000 52466.1034 -108758.6975 301.5234 -161224.8009 -108391.0842 300.8776 1.2001 32.5082 761149.9157 -10.9597 -10.9312 PRESSURE: 1355200 -134.102 150.242 5.13277 150.242 -374.355 -19.9124 5.13334 -19.9117 4.02468 GPRESSURE: 1355200 -77.4174 79.4885 18.8756 164.444 -408.493 13.4673 -48.498 -101.299 79.3845 PRESSAVG: 1355200 9.36652 -60.8483 64.7831 -60.8482 -28.4393 -61.3106 64.7831 -61.3107 -5.14756 GPRESSAVG: 1355200 10.3801 -62.0929 65.621 -60.7718 -28.741 -62.2482 65.2112 -61.7497 -5.65869 TIMING: 1355200 CPU: 4302.85, 0.00318969/step Wall: 4302.85, 0.0031897/step, 3.22939 hours remaining, 236.667969 MB of memory in use. ENERGY: 1355200 4050.2533 20429.4296 14477.0929 227.3258 -202575.4088 2075.4059 0.0000 0.0000 52505.3747 -108810.5268 301.7491 -161315.9015 -108440.0442 301.0471 -168.1442 -135.5086 761409.6147 -8.0734 -8.0065 PRESSURE: 1355400 86.9057 -42.412 -36.8298 -42.4115 -47.2545 -25.8323 -36.8297 -25.8323 -178.084 GPRESSURE: 1355400 61.3304 -93.7 -129.332 -68.758 44.4595 11.7198 51.7963 48.8929 -158.989 PRESSAVG: 1355400 -66.962 -27.5819 3.79467 -27.5819 118.997 -77.4894 3.79466 -77.4894 -6.53813 GPRESSAVG: 1355400 -68.3257 -29.2195 3.15383 -26.5819 119.895 -78.7829 2.88038 -76.5067 -6.40307 TIMING: 1355400 CPU: 4303.5, 0.00320931/step Wall: 4303.5, 0.00320931/step, 3.24907 hours remaining, 236.667969 MB of memory in use. ENERGY: 1355400 3907.0305 20673.3737 14518.4606 264.0704 -202947.1100 2434.6269 0.0000 0.0000 52242.9688 -108906.5791 300.2411 -161149.5479 -108544.3662 300.5426 -46.1442 -17.7330 760884.3458 15.1656 15.0554 PRESSURE: 1355600 81.5272 21.2578 14.55 21.2586 215.876 -192.827 14.5501 -192.827 -78.4397 GPRESSURE: 1355600 226.308 -33.7538 90.0362 3.80601 200.323 -237.656 10.1523 -63.65 -135.714 PRESSAVG: 1355600 -32.3397 11.0061 -17.1747 11.0061 51.736 -30.0799 -17.1747 -30.0799 -3.73942 GPRESSAVG: 1355600 -32.4861 12.5355 -16.6756 9.5351 50.4867 -29.6782 -16.8261 -29.9697 -2.95574 TIMING: 1355600 CPU: 4304.14, 0.00323482/step Wall: 4304.14, 0.00323482/step, 3.27472 hours remaining, 236.667969 MB of memory in use. ENERGY: 1355600 3982.8206 20514.9393 14490.3138 244.7261 -202727.6875 2626.6083 0.0000 0.0000 52088.1208 -108780.1587 299.3511 -160868.2795 -108421.2437 300.5145 72.9879 96.9722 762120.7506 5.2190 5.0150 PRESSURE: 1355800 -138.116 45.8665 75.6793 45.8664 -394.516 -78.2815 75.6794 -78.2827 -244.876 GPRESSURE: 1355800 -103.126 -46.5482 106.354 -54.1614 -326.685 -13.326 -13.4627 47.5955 -251.762 PRESSAVG: 1355800 -63.5099 -24.6429 6.88757 -24.6428 4.27032 -13.1468 6.88759 -13.1468 3.75465 GPRESSAVG: 1355800 -61.5679 -25.0674 7.57553 -24.2842 3.73481 -10.6494 6.89414 -11.888 2.50025 TIMING: 1355800 CPU: 4304.78, 0.00317102/step Wall: 4304.78, 0.00317102/step, 3.20995 hours remaining, 236.667969 MB of memory in use. ENERGY: 1355800 3986.8755 20503.7282 14410.4843 245.2808 -202726.1140 2338.2745 0.0000 0.0000 52274.6460 -108966.8248 300.4231 -161241.4708 -108594.1383 300.2202 -259.1692 -227.1909 762923.1822 -18.4950 -18.4443 PRESSURE: 1356000 -140.275 -7.83549 90.237 -7.83619 -146.483 149.098 90.2365 149.098 -347.983 GPRESSURE: 1356000 -158.337 -84.5825 103.57 -55.6351 -161.875 110.374 17.8597 161.908 -250.166 PRESSAVG: 1356000 11.3477 -47.2322 6.96005 -47.2322 8.39512 64.6423 6.96006 64.6423 -11.4942 GPRESSAVG: 1356000 9.93913 -46.0354 6.5771 -48.0076 8.28198 62.2332 7.41177 63.3353 -10.5609 TIMING: 1356000 CPU: 4305.41, 0.00317227/step Wall: 4305.41, 0.00317227/step, 3.21104 hours remaining, 236.667969 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: 1356000 4028.4103 20687.2864 14559.1981 230.3872 -202542.7689 2168.8802 0.0000 0.0000 51935.6155 -108932.9911 298.4747 -160868.6067 -108577.7301 300.4084 -211.5803 -190.1261 762554.6737 2.7496 2.5534 PRESSURE: 1356200 133.434 45.6097 -49.1677 45.6091 117.537 -127.582 -49.1675 -127.581 468.237 GPRESSURE: 1356200 241.151 100.322 18.2199 -11.6126 149.665 -164.762 -16.2829 -11.5719 403.533 PRESSAVG: 1356200 18.8867 -38.5116 15.4484 -38.5115 7.6013 10.198 15.4485 10.198 -17.3091 GPRESSAVG: 1356200 19.0507 -38.4957 14.1715 -38.8178 8.59292 10.8141 14.0736 8.16965 -18.7873 TIMING: 1356200 CPU: 4306.05, 0.00319303/step Wall: 4306.05, 0.00319303/step, 3.23188 hours remaining, 236.667969 MB of memory in use. ENERGY: 1356200 3958.1097 20521.2412 14463.4216 240.1540 -203006.0869 2659.9568 0.0000 0.0000 52546.7566 -108616.4471 301.9869 -161163.2036 -108248.5178 300.6837 239.7360 264.7829 760626.4156 3.0597 2.9521 LDB: ============= START OF LOAD BALANCING ============== 4318.51 LDB: ============== END OF LOAD BALANCING =============== 4318.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4318.51 LDB: ============= START OF LOAD BALANCING ============== 4318.83 LDB: Largest compute 7028 load 0.035326 is 18.1% of average load 0.195051 LDB: Average compute 0.004422 is 2.3% of average load 0.195051 LDB: TIME 4318.83 LOAD: AVG 0.195051 MAX 0.21811 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.492 MB LDB: TIME 4318.83 LOAD: AVG 0.195051 MAX 0.21811 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 4318.83 LOAD: AVG 0.195051 MAX 0.217208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 4318.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4318.84 PRESSURE: 1356400 -36.5799 -210.774 31.3788 -210.773 -71.3202 79.8948 31.3791 79.8948 -442.881 GPRESSURE: 1356400 13.3519 -235.673 84.4569 -224.234 -61.5944 33.9399 59.3466 158.889 -416.705 PRESSAVG: 1356400 75.7826 14.3973 -32.2922 14.3972 -56.3511 -6.75902 -32.2922 -6.75902 -1.04369 GPRESSAVG: 1356400 75.2709 14.7431 -31.19 16.3499 -56.2309 -7.01569 -29.5106 -3.16145 0.41563 TIMING: 1356400 CPU: 4306.7, 0.00327326/step Wall: 4306.7, 0.00327326/step, 3.3129 hours remaining, 237.640625 MB of memory in use. ENERGY: 1356400 4085.2663 20498.5911 14540.3056 254.0982 -202627.6824 2229.9830 0.0000 0.0000 52304.1835 -108715.2546 300.5929 -161019.4381 -108340.3606 301.2085 -183.5936 -154.9825 761907.9933 6.1293 6.4852 PRESSURE: 1356600 185.315 -111.843 14.8236 -111.844 -102.529 -104.644 14.8235 -104.643 141.398 GPRESSURE: 1356600 212.403 -104.081 -28.9634 -46.7853 -41.1186 -47.5035 -61.6769 -48.2117 132.859 PRESSAVG: 1356600 3.6657 3.68231 -3.98117 3.68236 -22.6901 55.9198 -3.98121 55.9199 4.11246 GPRESSAVG: 1356600 1.87297 2.21242 -4.89517 2.88983 -22.3781 57.0492 -4.26469 51.7691 4.78479 TIMING: 1356600 CPU: 4307.35, 0.00320277/step Wall: 4307.35, 0.00320277/step, 3.24138 hours remaining, 237.640625 MB of memory in use. ENERGY: 1356600 3909.9742 20269.9626 14527.4265 257.4550 -202902.4354 2450.0443 0.0000 0.0000 52379.1890 -109108.3837 301.0239 -161487.5728 -108728.9450 300.0812 74.7279 101.3812 761662.3164 -4.9706 -5.2401 PRESSURE: 1356800 21.232 0.260672 -24.0617 0.261031 -184.182 -51.2203 -24.0615 -51.2206 344.392 GPRESSURE: 1356800 87.1279 -1.80144 -57.7939 -28.1825 -180.363 -81.7502 25.6458 -8.80137 337.554 PRESSAVG: 1356800 -21.2159 -17.6174 6.37057 -17.6174 9.01224 26.8938 6.37055 26.8938 -23.7505 GPRESSAVG: 1356800 -18.6818 -15.5747 7.75033 -18.0024 8.71682 27.2294 3.0868 28.5667 -26.1084 TIMING: 1356800 CPU: 4307.99, 0.0032292/step Wall: 4307.99, 0.0032292/step, 3.26795 hours remaining, 237.640625 MB of memory in use. ENERGY: 1356800 3942.3523 20458.5542 14466.6346 240.4471 -203352.4162 2690.5835 0.0000 0.0000 52161.8462 -109391.9984 299.7748 -161553.8445 -109022.6188 300.0893 60.4805 81.4398 761777.7132 -11.9847 -12.0245 PRESSURE: 1357000 257.441 -5.67072 -184.615 -5.67089 50.3748 160.523 -184.615 160.523 70.0827 GPRESSURE: 1357000 262.62 -57.9146 -157.781 70.4247 138.35 149.61 -44.0997 74.4993 54.2326 PRESSAVG: 1357000 35.8246 -61.6569 -13.4142 -61.657 -35.2618 22.7797 -13.4142 22.7798 0.435124 GPRESSAVG: 1357000 33.3047 -63.1678 -14.6291 -58.8599 -35.0076 20.7131 -10.0224 24.0481 2.69785 TIMING: 1357000 CPU: 4308.63, 0.00320159/step Wall: 4308.63, 0.00320159/step, 3.23983 hours remaining, 237.640625 MB of memory in use. ENERGY: 1357000 3963.6669 20627.2509 14453.4504 234.4829 -203147.7990 2677.1922 0.0000 0.0000 52072.2318 -109119.5239 299.2598 -161191.7557 -108763.6246 299.6596 125.9663 151.7343 761561.2356 0.3327 0.3316 PRESSURE: 1357200 -219.195 44.6321 46.2272 44.6324 68.5758 26.0663 46.2262 26.0661 -21.8634 GPRESSURE: 1357200 -152.144 45.4841 76.4507 65.7293 54.2467 -24.2503 160.911 95.6064 7.11188 PRESSAVG: 1357200 7.73872 -29.2401 -28.6253 -29.2401 6.29022 -14.0989 -28.6253 -14.0989 8.95741 GPRESSAVG: 1357200 9.53299 -29.7509 -27.0275 -32.133 5.5671 -14.5789 -28.8389 -13.6058 7.08376 TIMING: 1357200 CPU: 4309.28, 0.00321949/step Wall: 4309.28, 0.0032195/step, 3.25777 hours remaining, 237.640625 MB of memory in use. ENERGY: 1357200 3952.7231 20549.2027 14529.9405 239.8985 -203274.5058 2463.7905 0.0000 0.0000 52111.7536 -109427.1969 299.4870 -161538.9505 -109063.3835 299.6449 -57.4941 -30.2617 762378.4653 7.6621 7.3946 PRESSURE: 1357400 -278.024 14.7036 7.17489 14.7032 -359.517 -118.098 7.17559 -118.098 -258.192 GPRESSURE: 1357400 -191.056 50.5772 -118.881 72.1529 -318.526 -166.925 25.752 -184.804 -312.706 PRESSAVG: 1357400 7.42318 2.37293 -1.36108 2.37294 16.1869 -0.573054 -1.36104 -0.573081 -16.2362 GPRESSAVG: 1357400 6.78181 2.74304 -2.02618 1.95704 17.072 2.00543 0.116067 -2.13525 -16.0939 TIMING: 1357400 CPU: 4309.92, 0.00320021/step Wall: 4309.92, 0.00320021/step, 3.23808 hours remaining, 237.640625 MB of memory in use. ENERGY: 1357400 4023.1328 20445.5994 14473.3283 240.7308 -202891.5025 2184.6677 0.0000 0.0000 52053.0782 -109470.9653 299.1498 -161524.0435 -109103.5494 299.3575 -298.5777 -274.0961 761325.5074 2.4580 2.5866 PRESSURE: 1357600 96.1328 217.661 82.5481 217.662 -46.0503 -203.265 82.5492 -203.265 20.4518 GPRESSURE: 1357600 34.6998 327.557 31.1013 256.585 55.4735 -138.022 123.198 -175.673 70.0071 PRESSAVG: 1357600 -47.4317 12.1393 -25.1144 12.1393 -14.2377 28.8584 -25.1144 28.8584 -3.78212 GPRESSAVG: 1357600 -47.7707 11.2467 -25.7433 13.9029 -13.9057 27.9041 -28.1155 28.3584 -3.17066 TIMING: 1357600 CPU: 4310.55, 0.00319054/step Wall: 4310.55, 0.00319054/step, 3.22811 hours remaining, 237.640625 MB of memory in use. ENERGY: 1357600 4102.9442 20559.3824 14503.5804 243.2624 -203088.9897 2705.2443 0.0000 0.0000 51604.7742 -109369.8018 296.5733 -160974.5760 -109001.4210 299.4753 23.5114 53.3935 761600.0156 -21.8172 -21.6157 PRESSURE: 1357800 -106.77 81.5627 11.8083 81.5637 193.255 -162.179 11.8083 -162.18 87.5694 GPRESSURE: 1357800 -63.0469 61.0483 107.445 58.202 169.473 -71.5083 -44.4344 -113.455 150.449 PRESSAVG: 1357800 -46.0744 15.2731 -20.678 15.2732 72.9237 -33.2125 -20.6781 -33.2126 3.7576 GPRESSAVG: 1357800 -44.411 15.1391 -19.6453 15.3693 71.2338 -34.5302 -19.4343 -32.4146 3.63541 TIMING: 1357800 CPU: 4311.19, 0.00320116/step Wall: 4311.19, 0.00320116/step, 3.23868 hours remaining, 237.640625 MB of memory in use. ENERGY: 1357800 3923.0318 20487.8752 14437.8851 256.8002 -203048.9003 2381.8504 0.0000 0.0000 52351.9341 -109209.5235 300.8673 -161561.4577 -108846.5238 299.3776 58.0181 85.6252 762335.6487 10.2023 10.1527 PRESSURE: 1358000 -11.9412 126.721 31.7552 126.72 -46.8879 -107.922 31.7552 -107.923 -60.0241 GPRESSURE: 1358000 -14.5312 13.9163 -19.7758 70.2673 33.709 -221.599 116.395 -39.5311 -50.4124 PRESSAVG: 1358000 -41.0923 -6.17185 -3.00396 -6.17182 18.6851 26.0588 -3.00398 26.0588 -17.7834 GPRESSAVG: 1358000 -42.3552 -6.32255 -2.33832 -7.69789 20.2427 26.3116 -5.05041 26.1214 -17.7144 TIMING: 1358000 CPU: 4311.84, 0.00320765/step Wall: 4311.84, 0.00320765/step, 3.24508 hours remaining, 237.640625 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: 1358000 4062.5918 20430.0151 14458.3552 242.1560 -203242.6417 2492.1534 0.0000 0.0000 52204.1129 -109353.2573 300.0178 -161557.3702 -108976.0060 299.2438 -39.6177 -10.4116 761828.5002 -13.3969 -13.2756 PRESSURE: 1358200 -172.1 84.8936 0.833677 84.8937 -249.277 -248.798 0.833921 -248.798 -163.754 GPRESSURE: 1358200 -186.964 82.0727 7.68765 33.7803 -131.347 -243.044 57.7883 -129.437 -171.084 PRESSAVG: 1358200 -74.0822 14.7706 26.3615 14.7706 41.4944 -10.7645 26.3614 -10.7646 7.8444 GPRESSAVG: 1358200 -73.901 13.2364 24.2376 16.4783 41.383 -9.41229 27.2557 -9.46703 7.70755 TIMING: 1358200 CPU: 4312.47, 0.00319096/step Wall: 4312.47, 0.00319096/step, 3.22801 hours remaining, 237.640625 MB of memory in use. ENERGY: 1358200 4166.3254 20546.5429 14459.8782 241.7042 -203336.0364 2663.1688 0.0000 0.0000 52037.7314 -109220.6854 299.0616 -161258.4168 -108860.6533 299.7597 -195.0438 -163.1317 763328.9450 -8.2478 -8.2702 PRESSURE: 1358400 148.866 -81.2374 -29.1293 -81.2371 32.7003 10.435 -29.1294 10.4344 280.586 GPRESSURE: 1358400 209.692 -90.3994 -36.4924 -114.504 94.1499 -63.6991 -12.8986 -42.4112 242.24 PRESSAVG: 1358400 -37.6136 43.4228 -15.898 43.4228 32.8147 -54.6813 -15.8979 -54.6814 -4.79372 GPRESSAVG: 1358400 -38.0587 45.4696 -16.2304 42.4167 33.8246 -56.3585 -14.4394 -53.3942 -5.85555 TIMING: 1358400 CPU: 4313.11, 0.00320147/step Wall: 4313.11, 0.00320147/step, 3.23846 hours remaining, 237.640625 MB of memory in use. ENERGY: 1358400 3969.2885 20559.2568 14554.4030 232.9622 -203606.0783 2684.9988 0.0000 0.0000 52061.5280 -109543.6410 299.1983 -161605.1690 -109171.1390 299.1994 154.0507 182.0272 760621.8010 -3.1976 -3.3632 PRESSURE: 1358600 -178.848 -123.785 125.038 -123.784 62.6477 14.8762 125.038 14.8763 -87.1189 GPRESSURE: 1358600 -151.42 -179.941 177.767 -228.85 128.065 -23.201 134.59 19.7108 -94.9155 PRESSAVG: 1358600 14.9412 -3.77016 -77.5374 -3.77013 53.6754 11.1256 -77.5374 11.1256 -5.47886 GPRESSAVG: 1358600 15.7401 -4.55105 -76.4531 -3.39426 52.0766 10.5666 -79.0924 7.04715 -4.83545 TIMING: 1358600 CPU: 4313.76, 0.0032082/step Wall: 4313.76, 0.0032082/step, 3.24509 hours remaining, 237.640625 MB of memory in use. ENERGY: 1358600 4006.6028 20609.3861 14522.0450 241.9052 -203342.4487 2441.7444 0.0000 0.0000 52079.0828 -109441.6824 299.2992 -161520.7652 -109077.5077 299.2949 -67.7730 -39.4234 760417.8375 21.0459 20.9938 PRESSURE: 1358800 -175.205 -65.7059 18.1583 -65.7065 155.372 102.936 18.158 102.936 33.7349 GPRESSURE: 1358800 -179.453 -24.8682 77.4709 -93.9318 240.359 25.4102 24.8781 120.841 44.9981 PRESSAVG: 1358800 -71.8535 -21.1714 -23.2591 -21.1714 51.7762 6.78843 -23.2591 6.78839 2.44645 GPRESSAVG: 1358800 -71.9514 -19.7483 -22.9553 -21.6607 52.2182 7.87363 -23.4402 7.12216 2.75953 TIMING: 1358800 CPU: 4314.4, 0.00320366/step Wall: 4314.4, 0.00320366/step, 3.24032 hours remaining, 237.640625 MB of memory in use. ENERGY: 1358800 3966.5704 20638.1235 14476.4856 235.1914 -203190.5996 2640.2511 0.0000 0.0000 51895.0221 -109338.9557 298.2414 -161233.9778 -108973.7719 299.7133 4.6342 35.3015 761064.2341 -5.8770 -5.6579 PRESSURE: 1359000 375.353 61.3412 -20.5357 61.3401 372.284 -33.4034 -20.5352 -33.4035 640.077 GPRESSURE: 1359000 441.773 41.5325 23.5421 -43.8662 346.828 39.313 -64.3473 -58.3545 673.691 PRESSAVG: 1359000 6.10767 9.94348 -12.7226 9.94346 60.4891 -59.4282 -12.7226 -59.4282 3.00077 GPRESSAVG: 1359000 6.34946 9.82539 -12.0559 10.0426 59.5065 -58.8075 -13.1441 -60.6708 2.99544 TIMING: 1359000 CPU: 4315.03, 0.00318219/step Wall: 4315.03, 0.00318219/step, 3.21843 hours remaining, 237.640625 MB of memory in use. ENERGY: 1359000 3943.9990 20628.0837 14463.2445 239.6872 -203806.9106 2813.0835 0.0000 0.0000 52181.7552 -109537.0576 299.8893 -161718.8128 -109165.6055 299.7537 462.5716 487.4306 759152.9983 23.1992 22.9505 PRESSURE: 1359200 108.876 -1.6668 112.001 -1.66783 201.799 -152.875 112 -152.875 -101.286 GPRESSURE: 1359200 190.113 63.0766 91.094 -32.0166 207.124 -165.234 100.127 -51.9696 -116.678 PRESSAVG: 1359200 2.54703 5.14503 -1.51648 5.14501 20.6325 20.8616 -1.5165 20.8616 5.4484 GPRESSAVG: 1359200 2.54381 4.82735 -3.76607 5.06438 20.5574 20.6493 -0.820549 25.0969 5.49093 TIMING: 1359200 CPU: 4315.67, 0.00319593/step Wall: 4315.67, 0.00319593/step, 3.23215 hours remaining, 237.640625 MB of memory in use. ENERGY: 1359200 3902.2364 20570.7372 14564.3073 258.3431 -203155.7391 2362.4045 0.0000 0.0000 51813.0672 -109684.6435 297.7704 -161497.7107 -109313.6541 299.3018 69.7964 93.5194 758251.4444 9.5426 9.5307 PRESSURE: 1359400 85.4329 319.096 125.139 319.095 40.5902 -10.6572 125.14 -10.6571 255.639 GPRESSURE: 1359400 171.797 309.514 127.197 307.145 82.9887 -53.9263 -7.55341 77.747 214.35 PRESSAVG: 1359400 -38.9727 -12.3107 13.457 -12.3108 78.6836 -22.6255 13.457 -22.6255 -2.41226 GPRESSAVG: 1359400 -39.2654 -13.7203 15.5091 -10.4626 78.9959 -21.504 13.9901 -23.0059 -3.02957 TIMING: 1359400 CPU: 4316.31, 0.00320221/step Wall: 4316.31, 0.00320221/step, 3.23833 hours remaining, 237.640625 MB of memory in use. ENERGY: 1359400 3901.0809 20430.4109 14435.7031 242.0354 -203281.6671 2571.1163 0.0000 0.0000 51818.0490 -109883.2716 297.7990 -161701.3206 -109511.0175 298.4968 127.2206 156.3787 760664.0522 12.4329 12.2336 PRESSURE: 1359600 223.78 -66.2648 -85.1862 -66.2652 21.0615 -52.4927 -85.1851 -52.4925 -72.1369 GPRESSURE: 1359600 293.779 -51.6594 -35.3914 -126.214 -60.277 -72.2003 -169.769 -135.777 -2.30438 PRESSAVG: 1359600 -17.6902 0.157359 -28.3636 0.157338 3.28773 -7.56717 -28.3636 -7.56712 5.37122 GPRESSAVG: 1359600 -17.7036 -0.434472 -29.2185 -0.428618 3.64454 -8.63992 -28.3813 -8.51577 5.75677 TIMING: 1359600 CPU: 4316.96, 0.00322594/step Wall: 4316.96, 0.00322594/step, 3.26214 hours remaining, 237.640625 MB of memory in use. ENERGY: 1359600 3818.5018 20475.8013 14549.4061 264.2600 -203434.6812 2405.9369 0.0000 0.0000 52075.5217 -109845.2533 299.2787 -161920.7750 -109479.5289 298.7355 57.5682 77.0660 759965.4535 -3.0104 -2.7674 PRESSURE: 1359800 -280.986 109.38 83.6204 109.381 -334.553 -117.782 83.6201 -117.782 -310.883 GPRESSURE: 1359800 -260.094 104.977 170.794 114.337 -268.412 -41.4501 -24.9548 -214.681 -291.161 PRESSAVG: 1359800 -18.8107 -21.6128 -56.4189 -21.6129 14.0447 16.4047 -56.4188 16.4047 -22.8017 GPRESSAVG: 1359800 -18.5953 -20.9127 -56.6903 -21.3801 14.8887 16.3995 -58.1699 16.8742 -23.3057 TIMING: 1359800 CPU: 4317.6, 0.00321617/step Wall: 4317.6, 0.00321617/step, 3.25209 hours remaining, 237.640625 MB of memory in use. ENERGY: 1359800 3981.1546 20561.8153 14482.9818 255.2793 -203478.4226 2368.1004 0.0000 0.0000 52022.2996 -109806.7916 298.9729 -161829.0912 -109448.6864 298.7656 -308.8075 -273.2224 761611.3070 -9.1892 -9.0041 PRESSURE: 1360000 331.008 184.422 158.344 184.422 -22.1413 -125.502 158.345 -125.502 172.21 GPRESSURE: 1360000 287.251 66.6957 158.698 238.717 78.9613 -139.931 145.99 -112.821 184.234 PRESSAVG: 1360000 37.4031 7.28343 4.70906 7.28347 8.61411 20.4219 4.70908 20.4219 -17.0667 GPRESSAVG: 1360000 37.4834 8.67591 2.6338 9.08457 7.40519 20.9581 5.667 20.214 -15.7768 TIMING: 1360000 CPU: 4318.24, 0.00321903/step Wall: 4318.24, 0.00321903/step, 3.2548 hours remaining, 237.640625 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: 1360000 4008.7935 20530.7781 14549.4302 249.9779 -203304.2023 2460.2701 0.0000 0.0000 51832.6612 -109672.2912 297.8830 -161504.9524 -109314.8019 298.4599 160.3586 183.4823 759783.7116 9.6502 9.7039 PRESSURE: 1360200 98.804 57.715 110.905 57.7148 377.304 -166.671 110.905 -166.671 -75.163 GPRESSURE: 1360200 172.795 117.11 55.5233 13.6118 358.7 -86.2068 173.052 -17.3788 -40.4544 PRESSAVG: 1360200 81.8484 4.56062 -16.5778 4.56061 -67.3703 5.71167 -16.5778 5.71173 -5.65453 GPRESSAVG: 1360200 81.5809 4.50348 -14.7992 2.35868 -66.8783 4.44537 -16.6946 4.96711 -6.19039 TIMING: 1360200 CPU: 4318.89, 0.00322764/step Wall: 4318.89, 0.00322765/step, 3.26333 hours remaining, 237.640625 MB of memory in use. ENERGY: 1360200 4000.5963 20612.7280 14463.1746 269.0756 -203205.5848 2340.6708 0.0000 0.0000 51907.2289 -109612.1105 298.3116 -161519.3394 -109250.0929 299.2356 133.6485 163.6802 759945.4700 2.9412 2.8374 LDB: ============= START OF LOAD BALANCING ============== 4331.35 LDB: ============== END OF LOAD BALANCING =============== 4331.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4331.35 LDB: ============= START OF LOAD BALANCING ============== 4331.67 LDB: Largest compute 7078 load 0.038100 is 19.5% of average load 0.195035 LDB: Average compute 0.004418 is 2.3% of average load 0.195035 LDB: TIME 4331.67 LOAD: AVG 0.195035 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.02 MB LDB: TIME 4331.67 LOAD: AVG 0.195035 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.023 MB LDB: TIME 4331.67 LOAD: AVG 0.195035 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.023 MB LDB: ============== END OF LOAD BALANCING =============== 4331.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4331.68 PRESSURE: 1360400 -206.555 -306.933 -168.949 -306.934 -296.766 74.6163 -168.949 74.6154 331.033 GPRESSURE: 1360400 -131.973 -332.266 -155.052 -219.302 -327.353 67.9651 -166.386 -27.5147 391.148 PRESSAVG: 1360400 13.4652 -23.5384 4.87321 -23.5383 -37.6075 -15.2875 4.87321 -15.2874 15.8503 GPRESSAVG: 1360400 12.2892 -22.4494 4.6496 -22.7135 -37.1196 -14.0605 7.27448 -14.0365 16.7598 TIMING: 1360400 CPU: 4319.54, 0.00327468/step Wall: 4319.54, 0.00327468/step, 3.3107 hours remaining, 238.152344 MB of memory in use. ENERGY: 1360400 4003.8733 20441.1469 14522.4568 227.2289 -203480.3173 2704.0804 0.0000 0.0000 52292.1010 -109289.4301 300.5234 -161581.5311 -108919.4317 299.7512 -57.4292 -22.7258 760931.0002 -2.7640 -2.6902 PRESSURE: 1360600 -39.7793 119.873 -74.6765 119.873 -91.3615 -250.244 -74.6763 -250.245 461.099 GPRESSURE: 1360600 54.1836 74.4316 -195.687 182.172 -98.1696 -259.541 -85.4539 -207.74 455.504 PRESSAVG: 1360600 0.878908 -19.8019 -48.8825 -19.8019 -18.559 0.969665 -48.8824 0.969635 -13.3667 GPRESSAVG: 1360600 1.51657 -23.592 -48.9327 -18.4307 -18.2208 1.43459 -51.1066 -0.74668 -14.5556 TIMING: 1360600 CPU: 4320.19, 0.00320949/step Wall: 4320.19, 0.00320949/step, 3.24462 hours remaining, 238.152344 MB of memory in use. ENERGY: 1360600 3914.3397 20678.7847 14490.1264 248.2534 -203016.0214 2263.3946 0.0000 0.0000 52235.0536 -109186.0691 300.1956 -161421.1227 -108830.2117 300.1641 109.9860 137.1725 761355.2104 -10.3489 -10.4199 PRESSURE: 1360800 88.8924 -235.16 -115.13 -235.16 182.271 -109.832 -115.129 -109.832 23.6415 GPRESSURE: 1360800 117.998 -210.027 -205.207 -138.154 108.785 -118.401 -202.803 -47.5289 126.213 PRESSAVG: 1360800 20.6022 -22.1074 -58.7357 -22.1074 -27.7202 -17.4992 -58.7357 -17.4991 21.4351 GPRESSAVG: 1360800 20.1911 -20.9449 -60.1737 -23.1212 -27.9678 -17.3695 -60.7713 -15.9209 21.9672 TIMING: 1360800 CPU: 4320.82, 0.00318674/step Wall: 4320.82, 0.00318674/step, 3.22144 hours remaining, 238.152344 MB of memory in use. ENERGY: 1360800 3944.5242 20600.1491 14528.6332 251.4784 -203701.1953 2727.8472 0.0000 0.0000 52160.2218 -109488.3415 299.7655 -161648.5633 -109124.4870 299.4200 98.2683 117.6653 760655.8137 4.7724 4.7301 PRESSURE: 1361000 95.6636 -136.024 215.285 -136.022 294.502 146.085 215.285 146.085 202.034 GPRESSURE: 1361000 129.613 -246.365 197.255 -102.409 273.672 -55.1596 206.983 160.408 268.507 PRESSAVG: 1361000 29.3482 -37.8709 -28.9403 -37.8709 -52.7576 -12.384 -28.9403 -12.384 -10.797 GPRESSAVG: 1361000 29.2469 -39.0502 -26.9531 -38.5651 -52.8641 -14.6266 -25.7177 -10.4613 -10.5513 TIMING: 1361000 CPU: 4321.46, 0.00320198/step Wall: 4321.46, 0.00320198/step, 3.23667 hours remaining, 238.152344 MB of memory in use. ENERGY: 1361000 3976.8986 20631.2790 14456.6506 260.2899 -203512.2670 2674.7620 0.0000 0.0000 52010.3149 -109502.0720 298.9040 -161512.3869 -109143.1083 299.2050 197.3998 223.9306 761108.5938 -11.4021 -11.3895 PRESSURE: 1361200 -171.862 102.967 -62.9116 102.966 78.4123 30.4644 -62.9113 30.4636 50.9219 GPRESSURE: 1361200 -127.219 65.4234 -111.078 5.13512 123.415 71.1895 -114.565 34.248 45.421 PRESSAVG: 1361200 3.7011 -36.2785 -11.1558 -36.2786 -16.6425 9.86016 -11.1558 9.86014 10.6087 GPRESSAVG: 1361200 3.58623 -33.7814 -11.851 -37.0458 -16.6446 11.933 -11.6559 6.51188 10.7575 TIMING: 1361200 CPU: 4322.11, 0.00323129/step Wall: 4322.11, 0.00323129/step, 3.26611 hours remaining, 238.152344 MB of memory in use. ENERGY: 1361200 4002.2663 20615.5203 14446.2392 250.5118 -203571.3384 2676.6384 0.0000 0.0000 52201.1622 -109379.0002 300.0008 -161580.1623 -109012.6536 299.7562 -14.1760 13.8723 761585.0100 -0.7776 -0.7670 PRESSURE: 1361400 -46.3721 -138.294 -106.214 -138.293 202.146 110.047 -106.214 110.048 213.593 GPRESSURE: 1361400 -36.827 -167.903 -72.1877 -140.917 296.516 71.0285 -155.1 184.377 208.785 PRESSAVG: 1361400 -7.90023 -33.0613 62.3175 -33.0613 61.358 -9.17665 62.3175 -9.17672 12.5264 GPRESSAVG: 1361400 -7.38079 -33.2744 62.2763 -32.5594 61.7018 -8.93194 60.9122 -7.41484 11.7383 TIMING: 1361400 CPU: 4322.76, 0.00322982/step Wall: 4322.76, 0.00322982/step, 3.26445 hours remaining, 238.152344 MB of memory in use. ENERGY: 1361400 3955.7516 20721.1938 14456.2656 233.7183 -203676.3985 2891.5511 0.0000 0.0000 51952.7296 -109465.1886 298.5731 -161417.9181 -109105.7089 299.7828 123.1224 156.1580 760638.7935 21.9947 22.0198 PRESSURE: 1361600 261.992 35.2905 132.502 35.2913 149.308 34.8397 132.502 34.84 -32.632 GPRESSURE: 1361600 259.595 -15.3458 133.737 131.973 261.427 -24.571 97.4332 107.49 -46.7101 PRESSAVG: 1361600 39.7779 21.1404 0.821516 21.1405 30.4382 59.4375 0.821533 59.4374 9.8283 GPRESSAVG: 1361600 39.6199 19.0529 1.64305 22.5463 30.3997 56.7759 0.252997 60.0846 9.98369 TIMING: 1361600 CPU: 4323.4, 0.00321641/step Wall: 4323.4, 0.00321642/step, 3.25072 hours remaining, 238.152344 MB of memory in use. ENERGY: 1361600 4048.6890 20432.6555 14501.2261 241.6176 -203526.2312 2649.1252 0.0000 0.0000 52123.1265 -109529.7912 299.5523 -161652.9178 -109162.8034 299.1695 126.2226 158.1041 759971.6295 26.6815 26.6678 PRESSURE: 1361800 -14.7994 -177.686 62.7513 -177.688 -2.73954 -171.67 62.75 -171.671 17.0874 GPRESSURE: 1361800 63.1395 -182.246 -28.4197 -222.847 -52.3408 -201.625 210.128 -138.611 69.634 PRESSAVG: 1361800 34.1037 -14.8048 17.7921 -14.8049 -5.18202 6.95615 17.7922 6.9562 -0.865372 GPRESSAVG: 1361800 33.5623 -13.5669 16.6308 -15.4707 -6.81733 8.04189 18.8005 5.03229 0.964589 TIMING: 1361800 CPU: 4324.04, 0.00322164/step Wall: 4324.04, 0.00322164/step, 3.25582 hours remaining, 238.152344 MB of memory in use. ENERGY: 1361800 3973.2087 20653.0619 14436.7017 247.8993 -203344.6463 2386.7937 0.0000 0.0000 51920.6260 -109726.3550 298.3886 -161646.9810 -109370.9355 299.2072 -0.1505 26.8109 760798.9419 9.3521 9.2365 PRESSURE: 1362000 -25.4524 107.64 1.08287 107.639 -192.677 64.2341 1.08286 64.2348 -89.2414 GPRESSURE: 1362000 46.4886 225.953 -18.8255 53.1024 -146.045 130.672 -86.4233 82.0943 -97.056 PRESSAVG: 1362000 32.2656 -64.4665 12.03 -64.4665 -68.3327 -0.506031 12.0301 -0.506011 1.53561 GPRESSAVG: 1362000 32.1692 -65.3619 12.5018 -66.3244 -66.7836 0.582387 10.9309 -0.3521 -0.51974 TIMING: 1362000 CPU: 4324.69, 0.00322332/step Wall: 4324.69, 0.00322332/step, 3.25734 hours remaining, 238.152344 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: 1362000 4014.2899 20494.1834 14492.9317 247.6627 -203611.0089 2634.4625 0.0000 0.0000 52162.5455 -109564.9331 299.7789 -161727.4786 -109205.2053 298.8570 -102.4569 -65.5374 758354.7677 -11.5105 -11.7114 PRESSURE: 1362200 129.948 146.027 -119.567 146.028 -9.44793 -9.36866 -119.567 -9.36875 153.753 GPRESSURE: 1362200 123.649 184.645 -71.0182 92.9658 64.0901 -107.745 -124.376 -42.2502 176.221 PRESSAVG: 1362200 33.7148 2.46792 -0.370013 2.46792 -84.9552 26.7263 -0.370019 26.7262 -9.59138 GPRESSAVG: 1362200 33.4995 3.34257 -0.770192 4.74533 -84.9612 26.6237 0.109438 25.501 -9.29295 TIMING: 1362200 CPU: 4325.33, 0.00322053/step Wall: 4325.33, 0.00322053/step, 3.25435 hours remaining, 238.152344 MB of memory in use. ENERGY: 1362200 3996.2246 20471.1487 14506.1213 256.8377 -203686.1872 2777.5741 0.0000 0.0000 51946.2303 -109732.0505 298.5357 -161678.2808 -109378.7121 299.1877 91.4174 121.3201 760980.0996 -20.2773 -20.2515 PRESSURE: 1362400 90.2118 117.039 385.072 117.04 80.7569 131.251 385.073 131.252 126.165 GPRESSURE: 1362400 131.994 121.428 418.485 -33.3185 145.347 181.812 296.111 221.41 131.816 PRESSAVG: 1362400 -6.9324 -7.33813 11.7078 -7.33811 70.95 -33.5393 11.7079 -33.5393 7.68662 GPRESSAVG: 1362400 -5.10818 -7.79326 13.3707 -7.7525 67.8552 -34.4654 11.2243 -31.5249 8.38064 TIMING: 1362400 CPU: 4325.98, 0.00322834/step Wall: 4325.98, 0.00322834/step, 3.26206 hours remaining, 238.152344 MB of memory in use. ENERGY: 1362400 3929.3811 20402.3498 14564.4890 238.2077 -203646.6833 2758.6757 0.0000 0.0000 51891.2434 -109862.3366 298.2197 -161753.5800 -109499.3308 298.7051 99.0444 136.3854 761047.2925 23.9014 23.7092 PRESSURE: 1362600 -130.925 53.5539 297.821 53.5538 107.439 99.1723 297.821 99.1733 -336.594 GPRESSURE: 1362600 -101.694 6.06293 347.378 -115.678 223.643 144.502 126.707 -6.50123 -382.303 PRESSAVG: 1362600 -37.3174 -28.9787 45.0544 -28.9788 51.4547 -35.8669 45.0544 -35.867 8.43616 GPRESSAVG: 1362600 -39.9386 -27.8897 44.0902 -30.7355 53.1626 -35.9766 45.3312 -36.9511 9.5606 TIMING: 1362600 CPU: 4326.62, 0.00322821/step Wall: 4326.62, 0.00322821/step, 3.26174 hours remaining, 238.152344 MB of memory in use. ENERGY: 1362600 3951.0580 20561.9099 14497.1118 233.8737 -203490.0215 2557.5344 0.0000 0.0000 51919.5961 -109768.9375 298.3826 -161688.5336 -109404.1408 298.1809 -120.0265 -86.7847 760812.1262 7.5245 7.5949 PRESSURE: 1362800 -74.9304 -217.174 -77.3476 -217.174 -24.4604 -45.6635 -77.3473 -45.6633 -477.633 GPRESSURE: 1362800 -4.92971 -224.826 -122.727 -82.6617 -47.9396 -3.53094 -179.756 19.9997 -455.581 PRESSAVG: 1362800 -40.758 -20.416 58.0949 -20.416 41.4802 -17.0165 58.095 -17.0165 -16.7854 GPRESSAVG: 1362800 -38.8916 -22.7294 58.3824 -18.6366 40.5325 -16.0071 57.5998 -18.5469 -17.2672 TIMING: 1362800 CPU: 4327.27, 0.00321197/step Wall: 4327.27, 0.00321198/step, 3.24517 hours remaining, 238.152344 MB of memory in use. ENERGY: 1362800 3979.4802 20742.9794 14508.4260 236.6189 -203444.4344 2391.6892 0.0000 0.0000 52140.8239 -109444.4169 299.6540 -161585.2408 -109097.5121 299.2052 -192.3414 -169.4834 761383.6314 -5.3544 -5.2088 PRESSURE: 1363000 -103.144 293.54 -222.162 293.54 36.3834 36.8977 -222.162 36.8976 257.362 GPRESSURE: 1363000 -24.279 190.166 -131.089 219.678 10.4451 57.0249 -202.205 -3.92352 280.545 PRESSAVG: 1363000 9.84236 22.3996 -32.4839 22.3996 41.6062 36.3947 -32.4839 36.3947 -18.4501 GPRESSAVG: 1363000 9.07745 23.4636 -31.7658 22.1647 43.2763 36.3477 -33.1059 37.5339 -18.92 TIMING: 1363000 CPU: 4327.91, 0.00322806/step Wall: 4327.91, 0.00322806/step, 3.26124 hours remaining, 238.152344 MB of memory in use. ENERGY: 1363000 3965.2033 20547.4020 14539.3019 248.0272 -203606.9657 2663.9168 0.0000 0.0000 52133.0629 -109510.0516 299.6094 -161643.1145 -109137.4567 299.7656 63.5339 88.9037 762086.5426 10.9995 11.1446 PRESSURE: 1363200 -298.03 -17.2496 271.284 -17.2491 -379.458 23.7553 271.285 23.7549 173.043 GPRESSURE: 1363200 -156.302 51.0525 255.926 35.9752 -375.308 -84.9151 268.313 -85.5808 102.44 PRESSAVG: 1363200 8.57898 -23.5249 -15.9156 -23.525 2.17531 31.1597 -15.9156 31.1597 18.101 GPRESSAVG: 1363200 9.36247 -23.1866 -16.8575 -22.4773 2.20814 30.8839 -16.0695 31.5976 17.3589 TIMING: 1363200 CPU: 4328.56, 0.00321258/step Wall: 4328.56, 0.00321258/step, 3.24542 hours remaining, 238.152344 MB of memory in use. ENERGY: 1363200 4034.1312 20665.4968 14520.6718 239.6343 -203585.5133 2448.2451 0.0000 0.0000 52237.9515 -109439.3826 300.2122 -161677.3341 -109082.4294 299.0212 -168.1483 -143.0571 761928.4906 9.6184 9.6432 PRESSURE: 1363400 236.149 11.5732 -11.8587 11.5732 153.682 -232.241 -11.8592 -232.241 -143.441 GPRESSURE: 1363400 195.862 -39.9722 -73.8057 109.215 217.002 -257.351 86.7701 -147.827 -81.7136 PRESSAVG: 1363400 -33.8605 -36.7742 34.1317 -36.7743 -17.8145 3.55444 34.1317 3.55446 27.0609 GPRESSAVG: 1363400 -34.5196 -36.595 34.3381 -36.4122 -18.4012 2.90831 34.9458 3.16616 28.1559 TIMING: 1363400 CPU: 4329.2, 0.00322027/step Wall: 4329.2, 0.00322027/step, 3.25301 hours remaining, 238.152344 MB of memory in use. ENERGY: 1363400 4045.6409 20554.7844 14534.2550 234.7262 -203529.1378 2783.9599 0.0000 0.0000 52237.2479 -109138.5235 300.2082 -161375.7714 -108775.5375 299.6625 82.1299 110.3834 762337.3653 -8.2047 -8.2550 PRESSURE: 1363600 -226.054 13.3732 52.8302 13.3733 399.771 7.89922 52.8311 7.90007 421.278 GPRESSURE: 1363600 -133.971 13.6743 36.2082 -44.722 411.145 33.8303 -29.6553 97.8305 388.535 PRESSAVG: 1363600 -37.5867 -0.280848 17.3296 -0.280819 61.2827 -51.1409 17.3296 -51.141 -9.58522 GPRESSAVG: 1363600 -37.7466 0.427644 16.8165 -3.52975 61.7175 -50.3331 17.0102 -51.3882 -9.97044 TIMING: 1363600 CPU: 4329.84, 0.00322288/step Wall: 4329.84, 0.00322288/step, 3.25547 hours remaining, 238.152344 MB of memory in use. ENERGY: 1363600 3948.5282 20696.6428 14548.8677 238.6526 -203796.4066 2934.9624 0.0000 0.0000 52345.5134 -109083.2395 300.8304 -161428.7530 -108725.1066 299.9351 198.3316 221.9028 762144.7904 4.7036 4.6668 PRESSURE: 1363800 -10.5179 -203.543 -121.501 -203.543 -98.9365 76.8059 -121.501 76.8067 -69.3602 GPRESSURE: 1363800 50.2324 -208.794 -56.3328 -261.024 -42.3633 21.824 -229.564 -43.0643 -104.288 PRESSAVG: 1363800 5.98724 -53.0455 42.6233 -53.0454 1.04017 -19.7015 42.6233 -19.7015 12.3609 GPRESSAVG: 1363800 7.07922 -54.0397 42.9034 -52.3359 -0.394659 -20.2453 43.255 -21.3642 12.4481 TIMING: 1363800 CPU: 4330.49, 0.00322449/step Wall: 4330.49, 0.00322449/step, 3.25692 hours remaining, 238.152344 MB of memory in use. ENERGY: 1363800 4009.5871 20716.1046 14509.3819 256.0913 -203631.1207 2787.8126 0.0000 0.0000 52276.2232 -109075.9199 300.4322 -161352.1431 -108719.2821 300.1423 -59.6049 -32.1396 762830.5775 6.4628 6.3776 PRESSURE: 1364000 -192.086 102.366 7.7517 102.366 -4.38259 -168.202 7.75231 -168.202 129.965 GPRESSURE: 1364000 -147.135 41.8495 -44.5354 140.511 61.3789 -130.962 150.864 -164.347 113.548 PRESSAVG: 1364000 -20.5294 -4.38067 29.2432 -4.38066 3.6668 40.1921 29.2431 40.1921 21.8044 GPRESSAVG: 1364000 -20.3484 -5.64646 30.1845 -1.32402 4.83086 40.5037 28.5412 41.0948 20.9209 TIMING: 1364000 CPU: 4331.13, 0.00320704/step Wall: 4331.13, 0.00320704/step, 3.23911 hours remaining, 238.152344 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: 1364000 3983.1335 20647.9279 14565.4327 249.1716 -203200.1180 2607.4355 0.0000 0.0000 52080.0465 -109066.9702 299.3047 -161147.0168 -108709.6830 300.0534 -22.1678 9.2639 761670.0367 1.6473 1.8011 PRESSURE: 1364200 -242.998 -268.159 -126.734 -268.159 53.3093 -150.833 -126.735 -150.833 -346.056 GPRESSURE: 1364200 -159.192 -261.273 -82.9589 -316.235 0.489904 -99.4952 -87.7828 -177.3 -280.743 PRESSAVG: 1364200 -24.211 -40.0115 -0.35785 -40.0115 40.2995 16.8339 -0.357864 16.8339 -40.6818 GPRESSAVG: 1364200 -24.6726 -39.7039 0.683369 -41.7391 40.4077 16.9374 -1.20034 19.5543 -40.9081 TIMING: 1364200 CPU: 4331.78, 0.00325087/step Wall: 4331.78, 0.00325087/step, 3.2832 hours remaining, 238.152344 MB of memory in use. ENERGY: 1364200 3983.7460 20454.7069 14537.7593 273.3538 -203097.0636 2358.3560 0.0000 0.0000 52199.2664 -109289.8752 299.9899 -161489.1417 -108917.7730 300.2178 -178.5813 -146.4818 761869.8172 -8.1977 -8.3910 LDB: ============= START OF LOAD BALANCING ============== 4344.24 LDB: ============== END OF LOAD BALANCING =============== 4344.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4344.24 LDB: ============= START OF LOAD BALANCING ============== 4344.56 LDB: Largest compute 7059 load 0.037475 is 19.2% of average load 0.195152 LDB: Average compute 0.004403 is 2.3% of average load 0.195152 LDB: TIME 4344.56 LOAD: AVG 0.195152 MAX 0.213943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.691 MB LDB: TIME 4344.56 LOAD: AVG 0.195152 MAX 0.213943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.785 MB LDB: TIME 4344.56 LOAD: AVG 0.195152 MAX 0.213943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.785 MB LDB: ============== END OF LOAD BALANCING =============== 4344.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4344.57 PRESSURE: 1364400 76.5541 -227.433 164.436 -227.432 -125.591 127.505 164.436 127.505 -103.737 GPRESSURE: 1364400 146.646 -199.258 106.289 -136.768 -105.913 106.297 97.4503 118.005 -106.094 PRESSAVG: 1364400 66.5545 -12.0844 -20.1085 -12.0843 -48.6236 36.1682 -20.1085 36.1682 34.4746 GPRESSAVG: 1364400 66.1428 -12.1929 -22.385 -11.526 -50.0574 34.5892 -18.4551 34.4599 35.8572 TIMING: 1364400 CPU: 4332.44, 0.00327592/step Wall: 4332.44, 0.00327592/step, 3.30831 hours remaining, 236.871094 MB of memory in use. ENERGY: 1364400 4058.7475 20589.7032 14601.0748 261.3604 -203399.7419 2594.2759 0.0000 0.0000 51933.0748 -109361.5053 298.4601 -161294.5801 -109009.4565 299.4529 -50.9246 -21.7871 760093.0937 17.4685 17.3142 PRESSURE: 1364600 -196.688 -63.2606 81.5324 -63.2594 -50.9372 -48.0958 81.533 -48.0955 42.6783 GPRESSURE: 1364600 -139.689 46.6702 108.561 -54.4191 -44.7759 12.537 90.0965 9.52712 67.8546 PRESSAVG: 1364600 58.0369 -65.1213 -25.6074 -65.1213 -30.4108 20.1539 -25.6075 20.1539 -5.82569 GPRESSAVG: 1364600 58.294 -62.5569 -24.1919 -66.6083 -30.628 21.2452 -27.6204 20.7261 -5.83906 TIMING: 1364600 CPU: 4333.07, 0.00319349/step Wall: 4333.07, 0.00319349/step, 3.22489 hours remaining, 237.070312 MB of memory in use. ENERGY: 1364600 3903.7468 20386.0009 14590.7236 257.2693 -202993.6583 2241.9551 0.0000 0.0000 52000.6357 -109613.3269 298.8484 -161613.9626 -109256.7440 299.1265 -68.3156 -38.8700 760119.2792 7.2668 7.2757 PRESSURE: 1364800 -159.205 -76.3437 27.7425 -76.344 -115.127 189.052 27.7428 189.052 -220.843 GPRESSURE: 1364800 -160.59 -184.427 58.1683 -65.959 -80.2952 215.617 12.444 134.787 -159.712 PRESSAVG: 1364800 20.184 -9.93593 13.6415 -9.93595 -22.4662 -19.3878 13.6415 -19.3878 -1.23943 GPRESSAVG: 1364800 20.4565 -15.0396 14.8363 -6.13464 -22.9696 -19.6752 13.7999 -18.5292 -0.957528 TIMING: 1364800 CPU: 4333.73, 0.00326605/step Wall: 4333.73, 0.00326605/step, 3.29798 hours remaining, 237.070312 MB of memory in use. ENERGY: 1364800 4011.1515 20291.1466 14583.0684 229.2204 -203061.0719 2441.9568 0.0000 0.0000 52007.3937 -109497.1346 298.8872 -161504.5283 -109134.5319 298.9639 -165.0586 -133.5324 761426.2581 -1.1739 -1.1569 PRESSURE: 1365000 -495.903 -64.1132 190.983 -64.1135 393.778 85.4212 190.984 85.4221 28.4971 GPRESSURE: 1365000 -425.462 14.8127 146.584 -171.264 440.24 174.839 163.447 91.6078 19.7585 PRESSAVG: 1365000 -16.1242 -28.0188 24.8476 -28.0188 6.52657 30.3072 24.8476 30.3073 -8.25153 GPRESSAVG: 1365000 -16.3706 -25.0117 22.3996 -29.8931 7.71633 32.3932 25.7316 28.8001 -8.96001 TIMING: 1365000 CPU: 4334.37, 0.0032213/step Wall: 4334.37, 0.0032213/step, 3.25262 hours remaining, 237.070312 MB of memory in use. ENERGY: 1365000 3946.6392 20537.3975 14539.9120 252.0886 -204112.2498 3205.0132 0.0000 0.0000 52045.1294 -109586.0700 299.1041 -161631.1993 -109222.4633 298.8278 -24.5424 11.5122 762327.0281 -5.9497 -5.8714 PRESSURE: 1365200 -31.9675 -69.15 -167.736 -69.1511 177.868 8.92625 -167.735 8.92549 57.3761 GPRESSURE: 1365200 -11.1255 -167.567 -240.727 -77.63 202.894 -73.8562 -237.091 -35.1047 120.103 PRESSAVG: 1365200 -41.532 -52.3912 10.7151 -52.3912 50.2679 11.4877 10.7152 11.4877 -25.8596 GPRESSAVG: 1365200 -42.3244 -52.0586 11.4957 -52.4582 50.9641 8.76202 9.77779 12.0593 -25.2781 TIMING: 1365200 CPU: 4335.01, 0.00321059/step Wall: 4335.01, 0.00321059/step, 3.24163 hours remaining, 237.070312 MB of memory in use. ENERGY: 1365200 3977.8347 20515.7475 14467.1378 235.5619 -203556.2531 2805.8663 0.0000 0.0000 51891.0353 -109663.0698 298.2185 -161554.1051 -109314.5671 299.1377 67.7589 103.9572 761229.9077 -5.7079 -5.5462 PRESSURE: 1365400 196.155 -247.337 67.984 -247.337 262.304 -44.6106 67.9839 -44.6111 164.037 GPRESSURE: 1365400 273.441 -266.038 158.957 -80.4717 213.969 -87.4803 -27.4322 1.83638 238.781 PRESSAVG: 1365400 -5.87677 -23.7652 11.2981 -23.7651 60.3329 -25.5503 11.2981 -25.5502 -9.19664 GPRESSAVG: 1365400 -6.62604 -26.2015 10.6785 -21.7363 59.8576 -23.5689 12.8608 -26.638 -8.1229 TIMING: 1365400 CPU: 4335.65, 0.00318656/step Wall: 4335.65, 0.00318656/step, 3.21718 hours remaining, 237.070312 MB of memory in use. ENERGY: 1365400 3969.4413 20389.3404 14479.8537 256.0951 -203241.4810 2590.5406 0.0000 0.0000 51901.6887 -109654.5213 298.2797 -161556.2100 -109296.1459 299.0843 207.4984 242.0633 762293.0757 15.0865 15.0362 PRESSURE: 1365600 -104.249 -19.9848 -298.592 -19.9841 177.718 65.2346 -298.592 65.2333 56.1441 GPRESSURE: 1365600 -13.4153 -13.5974 -250.309 -96.0034 165.466 77.251 -220.729 163.604 76.5639 PRESSAVG: 1365600 0.0799155 -39.0422 -46.03 -39.0422 4.71912 -2.99477 -46.03 -2.99484 10.9006 GPRESSAVG: 1365600 1.91053 -39.356 -45.1325 -41.5196 4.10993 -3.81833 -46.7353 -4.09882 9.61681 TIMING: 1365600 CPU: 4336.29, 0.00319393/step Wall: 4336.29, 0.00319393/step, 3.22445 hours remaining, 237.070312 MB of memory in use. ENERGY: 1365600 3972.1674 20315.4024 14423.5172 232.2395 -203690.6571 2744.6817 0.0000 0.0000 52388.9252 -109613.7236 301.0799 -162002.6489 -109242.8596 299.0379 43.2042 76.2049 761611.3732 5.2332 5.2124 PRESSURE: 1365800 -30.2317 -6.78203 51.511 -6.78227 107.519 96.6021 51.5104 96.603 204.391 GPRESSURE: 1365800 -43.8851 8.60063 57.0885 -88.2351 175.334 120.135 111.392 213.057 237.999 PRESSAVG: 1365800 -61.3865 -56.4047 -29.008 -56.4047 6.10915 32.0418 -29.0079 32.0418 0.583043 GPRESSAVG: 1365800 -61.8258 -53.3472 -31.0425 -58.3635 5.66124 31.3603 -27.998 34.1531 1.08026 TIMING: 1365800 CPU: 4336.93, 0.00320623/step Wall: 4336.93, 0.00320623/step, 3.23669 hours remaining, 237.070312 MB of memory in use. ENERGY: 1365800 3977.0127 20553.4334 14414.4080 242.1087 -203883.8915 2938.5441 0.0000 0.0000 51953.3110 -109805.0735 298.5764 -161758.3845 -109445.2251 298.9299 93.8926 123.1494 762165.5006 -18.2314 -18.3614 PRESSURE: 1366000 428.473 -96.1323 176.054 -96.1322 183.092 224.312 176.053 224.312 72.6756 GPRESSURE: 1366000 449.636 -15.7008 226.054 -38.3072 195.872 234.958 171.92 337.875 126.277 PRESSAVG: 1366000 -66.3803 1.56519 -27.1078 1.56517 41.3482 45.298 -27.1077 45.2981 -7.94339 GPRESSAVG: 1366000 -66.3783 -0.746124 -25.2104 3.6436 41.1454 46.0593 -28.7541 43.3252 -7.80345 TIMING: 1366000 CPU: 4337.58, 0.00326636/step Wall: 4337.58, 0.00326636/step, 3.29721 hours remaining, 237.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1366000 3943.0979 20429.6012 14412.7820 237.8543 -203740.9139 2802.6674 0.0000 0.0000 52128.5304 -109786.3805 299.5834 -161914.9110 -109418.5734 298.5360 228.0801 257.2615 760131.7239 -10.9918 -11.0121 PRESSURE: 1366200 132.53 -86.3006 -25.1619 -86.3008 -53.1715 91.1261 -25.1617 91.1256 -185.523 GPRESSURE: 1366200 84.3162 -20.3946 -22.0097 -139.436 69.8179 46.9545 -4.37112 116.425 -163.141 PRESSAVG: 1366200 -17.9011 17.1416 27.7085 17.1416 -22.1224 -4.52125 27.7085 -4.52116 12.6299 GPRESSAVG: 1366200 -18.0195 18.2517 26.8525 15.5593 -21.0776 -5.30721 27.5096 -4.48188 11.0553 TIMING: 1366200 CPU: 4338.23, 0.00323052/step Wall: 4338.23, 0.00323052/step, 3.26085 hours remaining, 237.070312 MB of memory in use. ENERGY: 1366200 4005.6345 20540.8140 14441.9995 261.6210 -203446.7690 2714.1566 0.0000 0.0000 51924.9777 -109557.5658 298.4136 -161482.5434 -109193.7047 298.8027 -35.3882 -3.0024 760331.7299 -9.1312 -9.3473 PRESSURE: 1366400 -281.904 56.6218 -189.36 56.623 2.35958 100.697 -189.36 100.697 -217.714 GPRESSURE: 1366400 -204.312 186.025 -186.273 -52.6016 -2.92183 41.2528 -178.394 244.65 -207.72 PRESSAVG: 1366400 -50.8958 -51.668 -2.42212 -51.6679 43.7323 22.5294 -2.42213 22.5294 12.1751 GPRESSAVG: 1366400 -51.1232 -51.2198 -0.927036 -51.944 44.3902 22.4218 -2.0533 23.172 11.5975 TIMING: 1366400 CPU: 4338.87, 0.00321812/step Wall: 4338.87, 0.00321812/step, 3.24816 hours remaining, 237.070312 MB of memory in use. ENERGY: 1366400 3997.2653 20393.3639 14427.2837 250.6841 -203105.9875 2463.8863 0.0000 0.0000 52149.5266 -109423.9775 299.7040 -161573.5041 -109057.7549 299.1255 -165.7527 -138.3181 761650.7648 1.6705 1.6215 PRESSURE: 1366600 -152.895 -4.98665 20.1372 -4.98642 363.347 116.59 20.1368 116.591 161.044 GPRESSURE: 1366600 -163.712 -174.327 69.0934 68.2937 415.63 30.0142 -36.2582 124.061 202.878 PRESSAVG: 1366600 -32.0564 -21.9576 0.184182 -21.9576 34.8856 22.2422 0.184139 22.2422 5.1143 GPRESSAVG: 1366600 -31.832 -22.1418 -0.415751 -19.7587 33.1197 22.1017 1.31626 22.4585 6.59887 TIMING: 1366600 CPU: 4339.52, 0.00322664/step Wall: 4339.52, 0.00322664/step, 3.25658 hours remaining, 237.070312 MB of memory in use. ENERGY: 1366600 4011.5537 20659.6358 14379.2069 262.2129 -203674.5921 2887.2089 0.0000 0.0000 52117.4901 -109357.2838 299.5199 -161474.7739 -109002.8314 299.6858 123.8317 151.5987 759562.5630 2.6478 2.6289 PRESSURE: 1366800 -143.725 -227.123 90.4204 -227.123 23.7199 -88.5344 90.4205 -88.5353 -150.516 GPRESSURE: 1366800 -30.6037 -191.848 -20.6155 -98.8855 35.037 -45.172 69.0585 -37.4638 -168.341 PRESSAVG: 1366800 -39.1993 -50.0415 -30.4575 -50.0414 53.1572 -59.8325 -30.4575 -59.8325 16.4329 GPRESSAVG: 1366800 -38.5166 -50.6442 -30.8026 -50.2625 54.7309 -59.9891 -29.1328 -60.6041 14.0047 TIMING: 1366800 CPU: 4340.17, 0.00323416/step Wall: 4340.17, 0.00323416/step, 3.26399 hours remaining, 237.070312 MB of memory in use. ENERGY: 1366800 4013.6395 20482.6893 14456.9938 279.7550 -202873.4370 2098.4790 0.0000 0.0000 52081.0162 -109460.8642 299.3103 -161541.8805 -109094.7862 299.5812 -90.1736 -54.6357 761108.6845 10.1302 10.0730 PRESSURE: 1367000 117.086 6.67108 26.2983 6.67127 161.319 121.817 26.298 121.817 -107.821 GPRESSURE: 1367000 107.67 42.8157 85.9439 -41.4382 182.183 120.145 -71.7892 -22.423 -22.0727 PRESSAVG: 1367000 2.91245 5.48266 -46.2349 5.48269 4.2156 -47.2092 -46.2349 -47.2092 -5.0602 GPRESSAVG: 1367000 1.90044 6.87166 -46.9118 3.84932 3.13074 -46.4039 -46.1189 -45.9419 -3.22231 TIMING: 1367000 CPU: 4340.81, 0.00321317/step Wall: 4340.81, 0.00321317/step, 3.24262 hours remaining, 237.070312 MB of memory in use. ENERGY: 1367000 3975.6163 20560.5561 14407.0717 233.9030 -203289.1112 2759.3986 0.0000 0.0000 52034.5392 -109318.0262 299.0432 -161352.5655 -108947.8784 299.6010 56.8610 89.2601 760226.0250 0.6893 0.6030 PRESSURE: 1367200 263.828 127.66 -64.3001 127.66 48.2488 -78.2717 -64.2998 -78.2727 512.199 GPRESSURE: 1367200 341.558 -22.1736 -86.8511 105.914 75.2525 -189.73 -58.2437 -10.6169 497.539 PRESSAVG: 1367200 -57.7791 -64.008 -13.423 -64.008 33.9834 -35.2454 -13.4231 -35.2455 10.2221 GPRESSAVG: 1367200 -56.8024 -65.3486 -14.1903 -61.3679 33.7772 -35.7555 -13.876 -36.6861 9.49844 TIMING: 1367200 CPU: 4341.45, 0.00320931/step Wall: 4341.45, 0.00320931/step, 3.23855 hours remaining, 237.070312 MB of memory in use. ENERGY: 1367200 3940.1810 20550.4220 14512.9575 269.0149 -203306.1117 2579.3994 0.0000 0.0000 52174.3947 -109279.7422 299.8470 -161454.1370 -108909.1794 300.0069 274.7585 304.7831 759836.6454 -4.5245 -4.5089 PRESSURE: 1367400 -201.785 -288.903 -32.9325 -288.903 31.083 47.3672 -32.9326 47.3679 -134.994 GPRESSURE: 1367400 -161.083 -294.743 -70.2728 -424.231 56.6059 138.254 -32.8608 17.1798 -103.807 PRESSAVG: 1367400 18.8503 -45.653 -33.0069 -45.6531 -46.9923 23.6243 -33.0069 23.6243 -25.2922 GPRESSAVG: 1367400 18.1918 -46.4417 -31.5946 -47.1727 -46.0129 24.0049 -33.9986 23.6562 -25.8613 TIMING: 1367400 CPU: 4342.11, 0.00327881/step Wall: 4342.11, 0.00327881/step, 3.3085 hours remaining, 237.070312 MB of memory in use. ENERGY: 1367400 3999.0182 20528.1843 14496.6951 239.4922 -203601.7301 2674.9267 0.0000 0.0000 52083.6589 -109579.7546 299.3255 -161663.4135 -109227.3193 298.9505 -101.8987 -69.4279 759921.8232 -17.8114 -17.8941 PRESSURE: 1367600 216.02 9.53055 119.849 9.53057 -221.035 -98.7287 119.848 -98.7284 -359.97 GPRESSURE: 1367600 162.887 30.9795 40.9497 48.5136 -153.497 18.846 182.542 -131.919 -304.382 PRESSAVG: 1367600 74.5354 -94.978 -24.0649 -94.978 -22.1553 -6.47863 -24.0649 -6.47861 11.4719 GPRESSAVG: 1367600 74.2919 -95.4279 -22.1833 -93.8319 -21.9307 -7.16199 -23.8658 -8.21206 11.603 TIMING: 1367600 CPU: 4342.75, 0.00324253/step Wall: 4342.75, 0.00324253/step, 3.27171 hours remaining, 237.070312 MB of memory in use. ENERGY: 1367600 4063.5674 20532.7900 14504.4860 256.0033 -203453.1151 2361.0295 0.0000 0.0000 52088.2905 -109646.9485 299.3521 -161735.2389 -109289.5309 298.8065 -121.6619 -98.3305 758971.1244 21.2840 21.3214 PRESSURE: 1367800 511.004 -142.488 171.881 -142.488 159.394 83.8316 171.881 83.8325 425.566 GPRESSURE: 1367800 554.819 -13.0334 136.586 -129.382 262.236 152.043 88.1684 62.0803 389.49 PRESSAVG: 1367800 17.5875 -37.0842 -32.3366 -37.0842 -56.1529 -18.3762 -32.3367 -18.3763 -5.30561 GPRESSAVG: 1367800 17.4301 -35.3152 -33.5018 -37.6047 -55.9723 -18.6653 -32.5539 -17.759 -5.33784 TIMING: 1367800 CPU: 4343.4, 0.00323656/step Wall: 4343.4, 0.00323656/step, 3.26551 hours remaining, 237.070312 MB of memory in use. ENERGY: 1367800 3877.6690 20434.6416 14505.9309 253.7550 -203750.5520 2774.1706 0.0000 0.0000 52239.9229 -109664.4619 300.2236 -161904.3848 -109293.8847 299.1598 365.3214 402.1820 760549.5825 -14.6237 -14.6267 PRESSURE: 1368000 102.616 -40.92 -223.67 -40.9196 314.521 -199.931 -223.671 -199.931 24.6473 GPRESSURE: 1368000 174.876 43.4013 -203.863 -29.2159 314.608 -184.18 -234.08 -170.986 48.0792 PRESSAVG: 1368000 28.1258 -16.8912 -2.63349 -16.8912 -22.0126 -39.3807 -2.63351 -39.3806 8.65839 GPRESSAVG: 1368000 28.3256 -16.8504 -1.91731 -16.2385 -23.4266 -39.9011 -4.03864 -36.692 9.93043 TIMING: 1368000 CPU: 4344.05, 0.00324092/step Wall: 4344.05, 0.00324092/step, 3.26973 hours remaining, 237.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1368000 3936.5645 20535.6487 14443.0525 258.3585 -203880.3238 2908.4082 0.0000 0.0000 52019.0973 -109779.1941 298.9545 -161798.2914 -109423.1557 298.5137 147.2611 179.1876 759957.0681 4.9239 4.9431 PRESSURE: 1368200 -17.9332 -54.1407 22.8612 -54.1404 46.7889 -49.8378 22.8613 -49.8378 40.4151 GPRESSURE: 1368200 -50.4413 -124.929 5.18508 -64.0577 135.548 -159.97 -11.4775 -68.4496 62.8336 PRESSAVG: 1368200 28.7966 -2.04669 10.2148 -2.04671 -4.34956 14.8522 10.2148 14.8522 -17.8676 GPRESSAVG: 1368200 29.4168 -3.72602 10.3927 -3.52518 -3.06785 14.9063 11.6787 12.727 -19.2723 TIMING: 1368200 CPU: 4344.7, 0.00323805/step Wall: 4344.7, 0.00323805/step, 3.26665 hours remaining, 237.070312 MB of memory in use. ENERGY: 1368200 4019.6435 20675.2402 14456.3116 251.9806 -203672.9847 2822.6063 0.0000 0.0000 51639.9565 -109807.2460 296.7755 -161447.2025 -109452.1831 298.6083 23.0903 49.3134 760000.3852 2.1931 2.3589 LDB: ============= START OF LOAD BALANCING ============== 4357.16 LDB: ============== END OF LOAD BALANCING =============== 4357.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4357.16 LDB: ============= START OF LOAD BALANCING ============== 4357.49 LDB: Largest compute 7059 load 0.035957 is 18.4% of average load 0.195134 LDB: Average compute 0.004410 is 2.3% of average load 0.195134 LDB: TIME 4357.5 LOAD: AVG 0.195134 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.895 MB LDB: TIME 4357.5 LOAD: AVG 0.195134 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.988 MB LDB: TIME 4357.5 LOAD: AVG 0.195134 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.988 MB LDB: ============== END OF LOAD BALANCING =============== 4357.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4357.5 PRESSURE: 1368400 248.796 -18.9415 -28.209 -18.9403 -7.33779 -13.7762 -28.209 -13.7762 241.978 GPRESSURE: 1368400 274.382 16.2157 -4.27431 -141.72 73.689 8.01914 -61.7234 -11.9897 183.896 PRESSAVG: 1368400 -3.39001 -3.06813 -24.5808 -3.06815 16.1896 -17.4254 -24.5808 -17.4255 18.234 GPRESSAVG: 1368400 -4.78668 -2.88615 -24.6375 -2.3233 16.5555 -16.048 -24.5839 -16.0411 19.6409 TIMING: 1368400 CPU: 4345.37, 0.00334806/step Wall: 4345.37, 0.00334806/step, 3.37745 hours remaining, 237.949219 MB of memory in use. ENERGY: 1368400 3987.8050 20390.7679 14462.9492 234.0848 -203650.3870 2751.4032 0.0000 0.0000 52223.5997 -109599.7772 300.1297 -161823.3769 -109235.9767 298.8436 161.1453 177.3225 758439.2559 10.3445 10.4699 PRESSURE: 1368600 -163.728 -246.917 30.3954 -246.917 143.632 72.3357 30.3956 72.3358 306.957 GPRESSURE: 1368600 -139.004 -271.716 -5.15198 -156.084 185.147 105.704 146.331 -41.167 319.279 PRESSAVG: 1368600 74.2942 -3.61173 -24.1364 -3.61165 -36.0866 13.9611 -24.1364 13.9611 10.1939 GPRESSAVG: 1368600 74.0559 -0.308429 -24.3485 -6.37763 -36.1564 12.1268 -22.9468 15.4287 10.148 TIMING: 1368600 CPU: 4346.01, 0.00322717/step Wall: 4346.01, 0.00322717/step, 3.25532 hours remaining, 237.949219 MB of memory in use. ENERGY: 1368600 3856.4338 20568.0594 14496.8221 239.2180 -203453.2036 2443.3386 0.0000 0.0000 52157.8111 -109691.5205 299.7517 -161849.3316 -109331.4664 299.2324 95.6204 121.8075 759406.9333 16.1338 16.0158 PRESSURE: 1368800 -117.935 -87.8347 -2.92132 -87.8344 -93.3552 14.0826 -2.92152 14.0826 -439.294 GPRESSURE: 1368800 -99.6586 -92.9022 -62.3726 -167.764 -55.4274 69.6732 -55.2264 -53.7039 -396.448 PRESSAVG: 1368800 -36.5021 -41.1581 2.58835 -41.1582 4.75466 -37.5588 2.58831 -37.5587 -4.18767 GPRESSAVG: 1368800 -35.9007 -41.2372 2.25364 -38.8116 4.60655 -35.6306 0.733257 -40.9444 -4.5384 TIMING: 1368800 CPU: 4346.66, 0.00323573/step Wall: 4346.66, 0.00323573/step, 3.26377 hours remaining, 237.949219 MB of memory in use. ENERGY: 1368800 4003.3014 20250.5685 14499.6987 252.7419 -203687.3089 2575.0647 0.0000 0.0000 52388.8848 -109717.0489 301.0796 -162105.9337 -109344.9017 298.9731 -216.8617 -183.8446 760611.4864 -11.9784 -11.9442 PRESSURE: 1369000 -312.856 -220.639 -70.3948 -220.638 -135.07 -60.3087 -70.3955 -60.3091 -28.9012 GPRESSURE: 1369000 -245.743 -103.807 -67.6599 -229.149 -109.461 -85.1241 -99.8494 10.0202 -40.7626 PRESSAVG: 1369000 -38.7364 -30.5811 13.3033 -30.5811 29.4325 -42.3145 13.3032 -42.3145 -5.29909 GPRESSAVG: 1369000 -38.0608 -31.6453 13.7277 -32.2223 28.3793 -46.2077 13.5837 -37.4497 -5.3527 TIMING: 1369000 CPU: 4347.31, 0.00322994/step Wall: 4347.31, 0.00322994/step, 3.25775 hours remaining, 237.949219 MB of memory in use. ENERGY: 1369000 4006.0343 20529.5928 14471.4542 240.8741 -203244.9721 2236.4927 0.0000 0.0000 52128.5829 -109631.9412 299.5837 -161760.5241 -109277.0899 298.9035 -158.9424 -131.9887 760280.3956 -4.8677 -5.0114 PRESSURE: 1369200 -393.045 -97.8757 -225.644 -97.8764 -223.686 -22.5669 -225.643 -22.5671 212.059 GPRESSURE: 1369200 -408.937 -50.3896 -176.244 -33.2189 -183.406 -57.6706 -171.462 -14.5594 279.535 PRESSAVG: 1369200 -17.0385 -59.6657 -35.0596 -59.6657 -45.0869 -5.91891 -35.0596 -5.91885 -6.12148 GPRESSAVG: 1369200 -17.4891 -61.2756 -35.3535 -58.4084 -44.6164 -5.36917 -34.4933 -9.23137 -6.71444 TIMING: 1369200 CPU: 4347.96, 0.00326889/step Wall: 4347.96, 0.00326889/step, 3.29686 hours remaining, 237.949219 MB of memory in use. ENERGY: 1369200 3999.8820 20480.2600 14494.8837 237.2313 -203440.0602 2586.5873 0.0000 0.0000 51847.8722 -109793.3436 297.9704 -161641.2158 -109436.3296 298.6657 -134.8908 -104.2693 761880.9433 -22.7490 -22.9400 PRESSURE: 1369400 51.4907 -117.946 -22.2902 -117.946 -366.892 -146.503 -22.2907 -146.504 41.0096 GPRESSURE: 1369400 98.7683 -104.909 -72.8516 -208.718 -346.68 -133.506 -51.6478 -66.1094 57.2782 PRESSAVG: 1369400 -16.3942 -12.174 -35.4637 -12.1739 -26.8286 10.9178 -35.4637 10.9178 -3.01496 GPRESSAVG: 1369400 -15.3574 -10.7815 -34.4993 -12.7885 -27.1077 14.0487 -37.6511 10.3799 -3.31251 TIMING: 1369400 CPU: 4348.6, 0.00320849/step Wall: 4348.6, 0.00320849/step, 3.23576 hours remaining, 237.949219 MB of memory in use. ENERGY: 1369400 4033.8020 20440.4664 14494.8518 252.5924 -202986.2733 2256.6056 0.0000 0.0000 51675.6955 -109832.2598 296.9809 -161507.9553 -109459.3773 298.6670 -91.4638 -63.5446 761704.3958 -15.4126 -15.2592 PRESSURE: 1369600 -163.285 -17.544 -172.764 -17.5436 127.721 123.134 -172.763 123.134 -15.1037 GPRESSURE: 1369600 -36.7387 -12.3695 -210.092 -73.7204 80.201 170.856 -174.689 10.2957 -2.67665 PRESSAVG: 1369600 16.6495 -7.80359 -39.8248 -7.80359 25.1178 -36.3314 -39.8248 -36.3313 19.1364 GPRESSAVG: 1369600 15.7269 -7.65215 -41.2802 -6.15729 25.0072 -36.4706 -38.8154 -36.3896 20.0122 TIMING: 1369600 CPU: 4349.25, 0.00322484/step Wall: 4349.25, 0.00322485/step, 3.25208 hours remaining, 237.949219 MB of memory in use. ENERGY: 1369600 3970.7891 20422.8716 14532.2076 250.5323 -203755.7374 2838.1075 0.0000 0.0000 52015.0771 -109726.1522 298.9314 -161741.2293 -109361.3729 298.6829 -16.8893 13.5952 759907.5827 20.3012 20.2488 PRESSURE: 1369800 -268.157 -57.8785 -7.22898 -57.8786 -202.458 -285.906 -7.22865 -285.907 224.906 GPRESSURE: 1369800 -245.636 3.239 55.0834 -54.2482 -120.465 -202.281 -49.3916 -184.743 204.332 PRESSAVG: 1369800 14.3285 -52.5767 -2.48478 -52.5767 -24.4482 17.0244 -2.48472 17.0244 6.34286 GPRESSAVG: 1369800 13.8733 -53.5879 -0.408984 -55.1372 -23.5737 17.7399 -3.54347 17.2392 6.46995 TIMING: 1369800 CPU: 4349.89, 0.00319531/step Wall: 4349.89, 0.00319531/step, 3.22211 hours remaining, 237.949219 MB of memory in use. ENERGY: 1369800 3892.7307 20453.3746 14465.6888 206.2131 -203018.0487 2280.1021 0.0000 0.0000 51981.1081 -109738.8314 298.7361 -161719.9395 -109380.0398 298.1789 -81.9029 -53.9232 762643.4271 -1.2590 -1.0768 PRESSURE: 1370000 -196.221 -151.655 149.983 -151.656 -85.135 218.319 149.983 218.318 -189.329 GPRESSURE: 1370000 -136.036 -77.4676 185.897 -123.324 -116.885 218.844 156.793 139.071 -148.399 PRESSAVG: 1370000 -12.203 -45.1282 22.9482 -45.1281 8.40739 6.57006 22.9482 6.57005 0.606468 GPRESSAVG: 1370000 -11.5501 -43.1704 22.9573 -43.7191 7.94078 4.41162 23.329 8.7547 0.670463 TIMING: 1370000 CPU: 4350.52, 0.00317471/step Wall: 4350.52, 0.00317471/step, 3.20117 hours remaining, 237.949219 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: 1370000 4042.7321 20610.5858 14554.3081 246.3167 -203858.7490 2691.1365 0.0000 0.0000 51937.4465 -109776.2233 298.4852 -161713.6698 -109417.7195 298.6234 -156.8949 -133.7732 761455.6426 -1.0631 -0.9796 PRESSURE: 1370200 -33.5917 -118.41 12.07 -118.41 131.277 109.791 12.0703 109.791 214.501 GPRESSURE: 1370200 33.342 -75.2391 -21.4942 -91.7894 86.0788 74.6112 -110.405 173.77 282.221 PRESSAVG: 1370200 -24.1832 -34.6636 12.3432 -34.6636 -31.9494 71.482 12.3432 71.4819 6.10745 GPRESSAVG: 1370200 -24.1295 -35.8184 10.5687 -34.189 -32.1937 73.2089 13.0881 68.9709 6.74253 TIMING: 1370200 CPU: 4351.16, 0.00320219/step Wall: 4351.16, 0.00320219/step, 3.2287 hours remaining, 237.949219 MB of memory in use. ENERGY: 1370200 3921.9693 20517.3028 14474.2930 236.7243 -203559.2625 2641.6391 0.0000 0.0000 52038.0394 -109729.2945 299.0633 -161767.3339 -109363.3655 298.8111 104.0623 133.8805 761107.5674 -16.6750 -16.5269 PRESSURE: 1370400 49.1458 -114.653 -107.638 -114.653 261.399 -40.9353 -107.638 -40.9361 279.418 GPRESSURE: 1370400 87.0499 -97.5474 17.3961 -132.803 295.933 22.4539 -77.6873 -60.9427 281.107 PRESSAVG: 1370400 40.6035 -0.396136 64.5042 -0.3961 -52.6516 28.0689 64.5042 28.069 19.4068 GPRESSAVG: 1370400 41.4384 0.697609 64.3082 -2.13906 -51.3629 26.8246 65.1165 30.1876 17.8206 TIMING: 1370400 CPU: 4351.8, 0.00320236/step Wall: 4351.8, 0.00320236/step, 3.22869 hours remaining, 237.949219 MB of memory in use. ENERGY: 1370400 3938.5030 20450.8468 14488.2357 240.5729 -203510.3285 2916.5788 0.0000 0.0000 51921.4159 -109554.1754 298.3931 -161475.5913 -109201.7257 299.4039 196.6543 221.3633 760649.0974 2.4529 2.6320 PRESSURE: 1370600 203.701 64.4391 121.419 64.4392 322.886 101.621 121.419 101.621 4.14958 GPRESSURE: 1370600 173.236 -0.980498 76.2131 9.23861 374.031 83.9892 59.8777 179.989 61.4048 PRESSAVG: 1370600 22.1356 -29.1545 5.15487 -29.1545 -21.7205 1.29294 5.15487 1.2929 -7.63149 GPRESSAVG: 1370600 22.1879 -30.5615 6.61624 -28.9467 -22.5863 0.582242 3.53706 -0.300535 -6.38776 TIMING: 1370600 CPU: 4352.44, 0.00318718/step Wall: 4352.44, 0.00318718/step, 3.21321 hours remaining, 237.949219 MB of memory in use. ENERGY: 1370600 3860.6585 20528.1009 14507.3473 243.8955 -203979.5986 3059.6362 0.0000 0.0000 52109.1419 -109670.8182 299.4720 -161779.9601 -109309.2879 298.8787 176.9121 202.8904 760362.2432 -2.4055 -2.2620 PRESSURE: 1370800 -76.1945 15.958 12.1066 15.9578 -278.338 11.3398 12.1074 11.34 312.165 GPRESSURE: 1370800 -23.6741 98.4653 44.4018 47.1293 -182.111 68.985 49.4332 46.3026 254.44 PRESSAVG: 1370800 53.2188 -23.2241 -1.46635 -23.224 -42.317 -0.0803589 -1.46633 -0.0803034 -11.2163 GPRESSAVG: 1370800 53.6836 -24.1755 -2.90694 -21.2331 -41.837 1.21713 0.508404 -0.288591 -11.9001 TIMING: 1370800 CPU: 4353.09, 0.00324111/step Wall: 4353.09, 0.00324111/step, 3.2674 hours remaining, 237.949219 MB of memory in use. ENERGY: 1370800 3908.2608 20593.1057 14475.7247 256.2523 -203561.9792 2593.0120 0.0000 0.0000 52294.3172 -109441.3065 300.5362 -161735.6237 -109086.5392 298.9437 -14.1225 16.2183 761245.6027 -0.1048 -0.0178 PRESSURE: 1371000 -632.463 -110.491 204.313 -110.491 -699.818 -70.1524 204.313 -70.1519 -151.855 GPRESSURE: 1371000 -587.075 -62.7243 160.574 -160.675 -686.867 -73.6112 188.792 -57.4495 -120.935 PRESSAVG: 1371000 21.9826 -46.6141 1.771 -46.614 -39.2901 -56.9001 1.77109 -56.9001 20.6579 GPRESSAVG: 1371000 21.8681 -45.1462 -0.160414 -49.2603 -38.9414 -55.4679 0.516641 -57.4985 20.8421 TIMING: 1371000 CPU: 4353.74, 0.00328678/step Wall: 4353.74, 0.00328678/step, 3.31326 hours remaining, 237.949219 MB of memory in use. ENERGY: 1371000 3983.9528 20559.1687 14497.3220 242.9990 -203184.3175 2276.3169 0.0000 0.0000 52195.6723 -109428.8858 299.9692 -161624.5581 -109071.1301 299.5013 -494.7119 -464.9591 763148.2399 1.1168 1.2562 PRESSURE: 1371200 -586.643 101.38 35.121 101.38 -325.623 -76.0799 35.1208 -76.0796 -59.7485 GPRESSURE: 1371200 -512.927 -32.7821 65.7276 94.1776 -283.52 -178.05 103.16 -38.5194 -77.1249 PRESSAVG: 1371200 34.0347 -21.4172 19.4925 -21.4173 -38.7301 12.2717 19.4926 12.2717 -8.71899 GPRESSAVG: 1371200 33.1823 -21.4548 22.4987 -20.1677 -38.6257 11.4096 20.8483 13.9997 -7.51071 TIMING: 1371200 CPU: 4354.39, 0.00321018/step Wall: 4354.39, 0.00321018/step, 3.23587 hours remaining, 237.949219 MB of memory in use. ENERGY: 1371200 4017.9754 20398.1765 14512.4322 258.4688 -203368.2916 2406.5614 0.0000 0.0000 52247.8954 -109526.7819 300.2694 -161774.6773 -109167.3314 299.1812 -324.0049 -291.1906 762440.7471 -4.4715 -4.3180 PRESSURE: 1371400 36.8215 -91.8623 154.05 -91.8623 -243.976 97.1059 154.05 97.1061 126.683 GPRESSURE: 1371400 -88.8073 -67.9508 163.303 -87.1233 -188.615 59.3025 7.73906 80.4716 250.672 PRESSAVG: 1371400 -25.7016 4.47174 -0.056253 4.47166 -19.8232 -9.08097 -0.0562921 -9.08104 -25.6513 GPRESSAVG: 1371400 -24.8825 3.21023 0.0102371 4.24327 -21.2419 -8.5897 -2.39905 -10.0624 -25.0328 TIMING: 1371400 CPU: 4355.03, 0.00322023/step Wall: 4355.03, 0.00322023/step, 3.24581 hours remaining, 237.949219 MB of memory in use. ENERGY: 1371400 3936.9902 20464.5002 14431.5433 256.4847 -203392.6715 2590.6794 0.0000 0.0000 52097.3660 -109615.1078 299.4043 -161712.4738 -109240.9337 298.6891 -26.8237 -8.9169 761432.8425 -23.7254 -23.7191 PRESSURE: 1371600 -189.417 -178.971 -12.6522 -178.971 321.512 150.335 -12.6533 150.335 150.897 GPRESSURE: 1371600 10.7673 -137.036 5.62212 -141.081 283.665 193.594 -29.4169 70.6173 94.1464 PRESSAVG: 1371600 -9.46518 -40.3255 5.62075 -40.3255 56.8904 -31.411 5.6207 -31.4111 -14.0632 GPRESSAVG: 1371600 -9.37892 -40.1399 3.71602 -38.148 57.8129 -33.7625 7.502 -30.8739 -15.1064 TIMING: 1371600 CPU: 4355.68, 0.0032318/step Wall: 4355.68, 0.0032318/step, 3.25729 hours remaining, 237.949219 MB of memory in use. ENERGY: 1371600 4024.8465 20591.4980 14434.1305 270.3667 -203232.8497 2433.3672 0.0000 0.0000 51859.5515 -109619.0891 298.0376 -161478.6406 -109255.2712 298.5533 94.3306 129.5263 760082.8280 11.1207 11.1092 PRESSURE: 1371800 -98.4146 -43.5414 251.162 -43.5417 -228.152 -51.4659 251.161 -51.4662 265.326 GPRESSURE: 1371800 -66.0827 -182.556 240.961 -9.70592 -239.903 11.9435 199.233 57.6957 313.507 PRESSAVG: 1371800 45.844 -0.750141 40.9058 -0.750154 -55.453 8.59133 40.9058 8.59131 2.94037 GPRESSAVG: 1371800 46.3056 -0.378153 41.1138 -2.59694 -55.7055 9.8577 40.7016 9.0495 2.59146 TIMING: 1371800 CPU: 4356.32, 0.00323531/step Wall: 4356.32, 0.00323531/step, 3.26066 hours remaining, 237.949219 MB of memory in use. ENERGY: 1371800 3979.0107 20438.3911 14527.4213 239.1427 -203327.8088 2425.5399 0.0000 0.0000 52168.8352 -109549.4679 299.8150 -161718.3031 -109177.3325 299.2462 -20.4134 2.5069 759668.1717 -2.2229 -2.2695 PRESSURE: 1372000 -307.108 -37.9155 45.7251 -37.9157 -137.51 57.7432 45.7243 57.744 16.9479 GPRESSURE: 1372000 -211.971 6.76336 136.998 -32.3219 -128.573 -42.8272 -77.7236 142.495 20.9558 PRESSAVG: 1372000 42.9059 0.958349 31.7955 0.95835 -32.0319 -11.4491 31.7954 -11.4492 9.66852 GPRESSAVG: 1372000 42.5049 1.12041 32.8019 2.10176 -31.8792 -11.3988 32.5943 -10.9423 9.83131 TIMING: 1372000 CPU: 4356.97, 0.00324587/step Wall: 4356.97, 0.00324587/step, 3.27112 hours remaining, 237.949219 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: 1372000 4007.2230 20521.6819 14479.0979 238.2793 -203293.4872 2422.1482 0.0000 0.0000 52222.5631 -109402.4937 300.1238 -161625.0568 -109035.8124 299.0480 -142.5565 -106.5295 761189.2746 6.8475 6.8190 PRESSURE: 1372200 -209.174 -287.857 22.6173 -287.857 17.8382 162.733 22.6167 162.733 307.348 GPRESSURE: 1372200 -119.806 -313.396 -86.8923 -160.684 -0.333052 131.304 28.7878 107.385 335.115 PRESSAVG: 1372200 -3.28827 -17.2098 21.1699 -17.2098 -14.197 -57.9603 21.1699 -57.9604 -10.7019 GPRESSAVG: 1372200 -2.9891 -18.3169 21.4128 -17.6558 -13.8514 -58.6225 20.7407 -58.751 -11.2588 TIMING: 1372200 CPU: 4357.62, 0.00324517/step Wall: 4357.62, 0.00324517/step, 3.27023 hours remaining, 237.949219 MB of memory in use. ENERGY: 1372200 3928.4832 20627.7970 14545.5889 269.4615 -203482.1159 2455.2261 0.0000 0.0000 52200.0965 -109455.4627 299.9947 -161655.5592 -109093.6828 299.5367 38.6709 71.6584 759490.9889 -9.3957 -9.3664 LDB: ============= START OF LOAD BALANCING ============== 4370.08 LDB: ============== END OF LOAD BALANCING =============== 4370.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4370.08 LDB: ============= START OF LOAD BALANCING ============== 4370.41 LDB: Largest compute 7059 load 0.036925 is 18.9% of average load 0.195174 LDB: Average compute 0.004401 is 2.3% of average load 0.195174 LDB: TIME 4370.41 LOAD: AVG 0.195174 MAX 0.215327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.18 MB LDB: TIME 4370.42 LOAD: AVG 0.195174 MAX 0.215327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.273 MB LDB: TIME 4370.42 LOAD: AVG 0.195174 MAX 0.215327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.273 MB LDB: ============== END OF LOAD BALANCING =============== 4370.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4370.42 PRESSURE: 1372400 123.372 186.484 179.384 186.484 -142.845 -56.9587 179.385 -56.9579 270.329 GPRESSURE: 1372400 93.5831 149.151 180.996 144.046 -104.285 -64.5244 159.039 -58.8213 338.9 PRESSAVG: 1372400 49.0438 -1.3274 25.6495 -1.3274 -40.6448 -6.97567 25.6495 -6.97567 6.5894 GPRESSAVG: 1372400 48.5996 -2.55225 25.8256 -1.57296 -41.4319 -7.59549 25.6325 -6.13916 7.52942 TIMING: 1372400 CPU: 4358.29, 0.00332121/step Wall: 4358.29, 0.00332121/step, 3.34668 hours remaining, 238.460938 MB of memory in use. ENERGY: 1372400 3958.6896 20643.9371 14575.5304 243.4897 -203455.2767 2555.0814 0.0000 0.0000 51934.6234 -109543.9251 298.4690 -161478.5485 -109187.6784 299.3732 83.6185 109.3993 759521.2454 4.9961 4.8991 PRESSURE: 1372600 332.621 -40.328 -53.2158 -40.3278 -1.72768 178.193 -53.2158 178.192 170.416 GPRESSURE: 1372600 360.738 -10.8082 27.5869 91.2553 41.2131 108.115 46.7096 175.821 196.508 PRESSAVG: 1372600 44.0005 -1.1197 10.1325 -1.11975 -31.2166 8.60367 10.1325 8.60359 17.6064 GPRESSAVG: 1372600 43.6002 0.848436 10.7477 -1.00639 -30.7511 8.56622 8.01108 6.72919 16.9885 TIMING: 1372600 CPU: 4358.94, 0.00325659/step Wall: 4358.94, 0.00325659/step, 3.28137 hours remaining, 238.460938 MB of memory in use. ENERGY: 1372600 4048.3051 20563.8429 14491.7484 238.9728 -204018.0366 2977.4959 0.0000 0.0000 52064.8459 -109632.8256 299.2174 -161697.6715 -109275.3750 299.1979 167.1032 199.4863 760099.7642 10.1301 9.9459 PRESSURE: 1372800 87.5055 -55.5697 29.2167 -55.5699 147.333 140.943 29.2166 140.943 13.5066 GPRESSURE: 1372800 179.428 63.1257 46.8233 -125.983 135.052 143.142 17.6908 161.965 14.9689 PRESSAVG: 1372800 36.5104 -27.73 6.99426 -27.73 -21.1856 28.9446 6.99423 28.9446 27.6254 GPRESSAVG: 1372800 38.0419 -27.6824 4.84665 -27.6715 -21.5761 29.2357 8.19099 31.1993 26.9626 TIMING: 1372800 CPU: 4359.59, 0.00327075/step Wall: 4359.59, 0.00327075/step, 3.29546 hours remaining, 238.460938 MB of memory in use. ENERGY: 1372800 3940.4239 20561.3252 14528.3660 250.5755 -203713.7828 2624.7588 0.0000 0.0000 52231.2234 -109577.1099 300.1736 -161808.3334 -109210.4041 298.8801 82.7817 109.8164 760881.0203 14.3167 14.4761 PRESSURE: 1373000 110.747 -177.821 -57.2069 -177.821 317.342 -241.927 -57.2059 -241.928 39.6253 GPRESSURE: 1373000 143.607 -42.255 -84.7056 -224.169 369.787 -442.716 -60.0365 -67.9265 28.6072 PRESSAVG: 1373000 30.4264 -16.3878 28.0314 -16.3878 10.0145 22.4069 28.0314 22.4069 -10.6108 GPRESSAVG: 1373000 30.4505 -15.6709 29.1689 -16.9999 10.6674 22.1492 27.6448 23.4963 -11.5285 TIMING: 1373000 CPU: 4360.24, 0.00322392/step Wall: 4360.24, 0.00322392/step, 3.2481 hours remaining, 238.460938 MB of memory in use. ENERGY: 1373000 3951.0106 20509.2832 14476.9970 273.0369 -204039.1429 2835.3743 0.0000 0.0000 52147.5723 -109845.8685 299.6928 -161993.4408 -109477.2984 299.0917 155.9047 180.6669 759030.5923 9.9434 9.8631 PRESSURE: 1373200 442.782 145.684 15.6776 145.685 452.912 133.092 15.6768 133.092 230.241 GPRESSURE: 1373200 527.481 73.661 82.4674 185.445 431.025 0.216741 -89.8082 108.704 254.958 PRESSAVG: 1373200 32.7365 25.3992 67.8327 25.3992 -31.5032 -34.5318 67.8327 -34.5317 -19.0644 GPRESSAVG: 1373200 31.6689 22.376 68.6627 25.5963 -32.1106 -34.5214 65.5429 -36.1879 -16.9739 TIMING: 1373200 CPU: 4360.89, 0.00324281/step Wall: 4360.89, 0.00324281/step, 3.26695 hours remaining, 238.460938 MB of memory in use. ENERGY: 1373200 3916.9351 20805.6276 14458.2511 251.5672 -203920.8897 2889.1602 0.0000 0.0000 51766.3042 -109833.0444 297.5017 -161599.3486 -109479.2000 298.7609 375.3120 404.4878 761148.2763 -5.9437 -5.8052 PRESSURE: 1373400 -152.546 255.147 44.8428 255.148 17.2651 -18.1757 44.8438 -18.1743 -31.2919 GPRESSURE: 1373400 -159.335 200.095 13.824 87.1306 67.6476 5.07822 26.6114 7.50048 8.98039 PRESSAVG: 1373400 6.96358 -32.3075 24.7448 -32.3074 -1.26896 11.8909 24.7449 11.8909 0.0104104 GPRESSAVG: 1373400 5.6439 -30.5517 24.0915 -33.7629 -0.0855774 12.9236 25.5589 10.6997 0.373376 TIMING: 1373400 CPU: 4361.52, 0.00318107/step Wall: 4361.52, 0.00318107/step, 3.20458 hours remaining, 238.460938 MB of memory in use. ENERGY: 1373400 4003.5418 20479.6537 14440.2309 251.6014 -203684.6363 2736.8723 0.0000 0.0000 52125.6323 -109647.1039 299.5667 -161772.7363 -109286.7147 298.4773 -55.5243 -27.5691 760614.9259 1.9017 1.9772 PRESSURE: 1373600 -71.6735 91.6687 14.6248 91.6694 75.1256 -24.3883 14.6259 -24.3881 -161.421 GPRESSURE: 1373600 26.7703 150.225 -11.8982 91.5249 49.1133 -50.2498 -2.87067 -12.9982 -115.238 PRESSAVG: 1373600 31.1311 -20.1924 -47.5713 -20.1924 -61.2202 -17.8421 -47.5713 -17.8421 -4.77289 GPRESSAVG: 1373600 31.5846 -19.5903 -47.4785 -18.2784 -59.7948 -16.9535 -45.172 -18.2299 -6.36287 TIMING: 1373600 CPU: 4362.17, 0.00323367/step Wall: 4362.17, 0.00323367/step, 3.25739 hours remaining, 238.460938 MB of memory in use. ENERGY: 1373600 4030.6758 20435.0287 14508.1765 262.8910 -203774.9711 2917.1129 0.0000 0.0000 52055.2304 -109565.8558 299.1621 -161621.0862 -109200.7489 299.3639 -52.6564 -13.1181 761791.0773 -11.6207 -11.5243 PRESSURE: 1373800 -274.432 28.07 35.0568 28.0709 -120.576 -31.9601 35.0568 -31.9597 201.02 GPRESSURE: 1373800 -155.894 -153.389 72.8096 52.3388 -52.3337 -129.914 -15.4925 29.5073 128.541 PRESSAVG: 1373800 25.9936 -34.6151 40.2778 -34.615 -7.41681 50.402 40.2778 50.402 11.0239 GPRESSAVG: 1373800 25.4736 -35.5877 39.938 -34.1587 -8.40093 50.8802 38.5937 50.5527 12.7066 TIMING: 1373800 CPU: 4362.82, 0.003264/step Wall: 4362.82, 0.003264/step, 3.28775 hours remaining, 238.460938 MB of memory in use. ENERGY: 1373800 3980.1791 20463.3886 14496.3665 251.9118 -203781.5498 2959.2257 0.0000 0.0000 52192.1448 -109438.3334 299.9490 -161630.4782 -109062.2009 299.5666 -64.6623 -26.5621 759678.8139 9.8669 9.9264 PRESSURE: 1374000 13.7448 32.0215 101.121 32.0214 -107.546 170.611 101.121 170.61 309.249 GPRESSURE: 1374000 65.6651 -0.954205 27.9094 112.123 -218.135 169.498 30.5663 286.893 426.053 PRESSAVG: 1374000 33.4318 -18.9742 -11.0161 -18.9741 -40.1857 -50.6906 -11.0162 -50.6906 11.4605 GPRESSAVG: 1374000 35.2426 -19.1302 -10.0848 -19.6013 -40.6592 -53.0216 -10.8267 -48.9107 10.2425 TIMING: 1374000 CPU: 4363.46, 0.00319758/step Wall: 4363.46, 0.00319758/step, 3.22067 hours remaining, 238.460938 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: 1374000 3947.4106 20694.2870 14475.7588 225.0148 -203505.2177 2612.7544 0.0000 0.0000 52108.4375 -109441.5545 299.4679 -161549.9920 -109079.3433 299.4872 71.8158 91.1945 759601.7584 1.5689 1.6086 PRESSURE: 1374200 -315.178 -9.16819 -106.363 -9.16779 -105.792 251.406 -106.364 251.407 -378.167 GPRESSURE: 1374200 -309.73 -29.6319 -25.2757 -32.2735 -56.149 251.338 -180.147 220.008 -340.923 PRESSAVG: 1374200 -0.187085 -72.5365 -24.1849 -72.5365 14.166 32.0521 -24.1848 32.0521 -7.54515 GPRESSAVG: 1374200 -0.799266 -72.3288 -24.6942 -72.5165 15.0244 33.8819 -25.3137 32.7078 -7.12582 TIMING: 1374200 CPU: 4364.1, 0.00319141/step Wall: 4364.1, 0.00319141/step, 3.21429 hours remaining, 238.460938 MB of memory in use. ENERGY: 1374200 3924.2976 20684.2639 14553.3096 240.5897 -203419.3700 2654.7664 0.0000 0.0000 51959.7730 -109402.3698 298.6135 -161362.1428 -109037.2587 299.3056 -266.3790 -235.6007 761321.4254 2.1446 2.3664 PRESSURE: 1374400 -122.314 -104.383 -30.261 -104.383 126.606 -49.7854 -30.2614 -49.7852 156.572 GPRESSURE: 1374400 -131.93 -106.823 -105.245 -162.901 177.817 -100.794 0.40148 -65.7486 192.177 PRESSAVG: 1374400 -26.1641 10.4036 -19.1159 10.4036 58.8578 -65.3602 -19.1159 -65.3602 1.02549 GPRESSAVG: 1374400 -25.8472 10.5592 -21.4469 8.7455 59.0285 -66.2189 -17.1244 -67.0935 1.21324 TIMING: 1374400 CPU: 4364.74, 0.0032004/step Wall: 4364.74, 0.0032004/step, 3.22316 hours remaining, 238.460938 MB of memory in use. ENERGY: 1374400 3923.9172 20547.9882 14435.4144 239.1105 -203621.0120 2658.2757 0.0000 0.0000 52188.5388 -109627.7673 299.9282 -161816.3061 -109261.3135 299.8086 53.6214 79.3546 760878.7009 11.2397 11.4648 PRESSURE: 1374600 -183.468 16.4277 75.6527 16.4269 -417.931 -43.9961 75.6528 -43.9971 -25.3568 GPRESSURE: 1374600 -0.513443 59.3833 145.98 12.5957 -445.991 -46.3777 124.188 97.116 -92.5304 PRESSAVG: 1374600 39.0459 9.25857 11.7185 9.25865 -31.8552 -9.4665 11.7184 -9.46649 5.97578 GPRESSAVG: 1374600 39.9503 10.8835 14.6496 7.72546 -32.2115 -8.93755 12.7589 -8.74535 5.24864 TIMING: 1374600 CPU: 4365.39, 0.00323338/step Wall: 4365.39, 0.00323338/step, 3.2562 hours remaining, 238.460938 MB of memory in use. ENERGY: 1374600 3963.2205 20621.4609 14499.9912 241.9208 -202950.3926 2125.4617 0.0000 0.0000 51943.0143 -109555.3232 298.5172 -161498.3375 -109202.0728 299.0489 -208.9184 -179.6783 760393.8676 4.3888 4.3292 PRESSURE: 1374800 -145.036 47.3263 189.243 47.3261 143.337 -44.0164 189.243 -44.0163 349.949 GPRESSURE: 1374800 -70.9262 -16.9873 183.282 18.5598 153.492 -28.8216 132.514 -5.86998 331.025 PRESSAVG: 1374800 27.4328 -30.5816 5.57859 -30.5817 -5.30046 53.6892 5.5786 53.6891 10.9985 GPRESSAVG: 1374800 25.9547 -31.6108 5.2345 -30.1732 -6.16072 54.4392 4.76277 54.1136 12.2315 TIMING: 1374800 CPU: 4366.03, 0.00322297/step Wall: 4366.03, 0.00322297/step, 3.24553 hours remaining, 238.460938 MB of memory in use. ENERGY: 1374800 3898.2342 20610.6195 14562.8587 251.7391 -203657.3352 2492.7730 0.0000 0.0000 52290.2522 -109550.8586 300.5128 -161841.1108 -109190.4787 299.1208 116.0834 137.8636 760348.0583 11.0436 10.6752 PRESSURE: 1375000 -232.156 -145.107 141.272 -145.108 226.613 -82.2959 141.272 -82.2959 195.975 GPRESSURE: 1375000 -202.343 -163.452 112.948 -183.125 289.459 -86.9125 157.763 -93.9976 202.866 PRESSAVG: 1375000 1.28986 -34.8535 26.8026 -34.8535 -12.0092 31.7921 26.8026 31.7921 18.727 GPRESSAVG: 1375000 1.39705 -33.5992 26.4573 -33.8495 -11.2599 30.5416 25.9208 31.8339 17.8286 TIMING: 1375000 CPU: 4366.67, 0.00322009/step Wall: 4366.67, 0.00322009/step, 3.24245 hours remaining, 238.460938 MB of memory in use. ENERGY: 1375000 3898.6549 20670.6860 14564.8748 245.7990 -203270.0581 2447.5413 0.0000 0.0000 51814.5110 -109627.9911 297.7787 -161442.5021 -109279.6933 299.4726 63.4772 96.6605 761267.4339 2.6692 2.6553 PRESSURE: 1375200 98.7343 -57.4437 54.9531 -57.4432 -437.116 28.5891 54.9536 28.5901 174.839 GPRESSURE: 1375200 84.1602 -19.8236 14.6531 -105.576 -376.729 15.7794 73.6045 -109.108 239.092 PRESSAVG: 1375200 4.39952 -61.9857 3.52756 -61.9858 -11.2784 -39.9546 3.52757 -39.9546 24.0878 GPRESSAVG: 1375200 5.33107 -62.1321 4.00774 -61.5304 -12.3717 -38.4991 2.69764 -41.6749 24.3228 TIMING: 1375200 CPU: 4367.32, 0.00325183/step Wall: 4367.32, 0.00325183/step, 3.27423 hours remaining, 238.460938 MB of memory in use. ENERGY: 1375200 3963.3852 20611.7675 14533.3174 248.4442 -203447.8700 2717.6508 0.0000 0.0000 51706.9055 -109666.3993 297.1603 -161373.3048 -109309.7750 298.8312 -54.5141 -17.8256 761128.0847 5.7363 5.7607 PRESSURE: 1375400 -428.994 32.3482 36.314 32.3485 -261.451 89.3963 36.3133 89.3964 -315.522 GPRESSURE: 1375400 -338.454 125.204 87.0549 45.322 -227.318 83.7206 85.2563 145.835 -337.981 PRESSAVG: 1375400 56.476 -81.7656 49.389 -81.7655 -35.1989 -15.1988 49.389 -15.1987 -3.16812 GPRESSAVG: 1375400 55.4373 -82.9102 49.5513 -80.2185 -33.3787 -17.0715 50.4754 -14.5004 -3.32107 TIMING: 1375400 CPU: 4367.98, 0.0032624/step Wall: 4367.98, 0.0032624/step, 3.28469 hours remaining, 238.460938 MB of memory in use. ENERGY: 1375400 4065.4054 20529.2158 14497.6576 229.4515 -203220.7118 2359.9732 0.0000 0.0000 51627.1378 -109911.8704 296.7019 -161539.0082 -109555.8617 298.3902 -335.3222 -301.2510 762661.9443 6.0363 6.2459 PRESSURE: 1375600 72.3532 218.166 250.251 218.166 -267.014 -175.757 250.25 -175.757 99.1111 GPRESSURE: 1375600 57.1613 166.65 265.519 168.717 -252.596 -229.334 194.192 -13.0016 172.6 PRESSAVG: 1375600 -8.74007 -90.7927 14.2519 -90.7926 -19.3506 24.5533 14.2519 24.5534 -6.80249 GPRESSAVG: 1375600 -9.26563 -92.566 13.4586 -93.0106 -19.0635 28.066 13.4366 25.808 -6.31105 TIMING: 1375600 CPU: 4368.62, 0.00323648/step Wall: 4368.62, 0.00323648/step, 3.25842 hours remaining, 238.460938 MB of memory in use. ENERGY: 1375600 4031.4640 20353.0501 14426.3804 247.9863 -204027.1967 2781.8469 0.0000 0.0000 52047.8946 -110138.5745 299.1200 -162186.4691 -109776.4241 298.0934 -31.8500 -7.6118 759489.0971 -11.6311 -11.5467 PRESSURE: 1375800 85.6273 -93.5965 242.122 -93.5968 236.88 49.6607 242.121 49.6609 90.0482 GPRESSURE: 1375800 139.838 -83.7364 314.088 -151.084 192.733 123.141 240.451 95.5445 168.473 PRESSAVG: 1375800 -1.2074 7.66458 21.6237 7.66457 48.4149 12.2424 21.6237 12.2425 -2.32988 GPRESSAVG: 1375800 0.382677 8.64528 22.2733 9.88155 48.3043 10.057 23.7672 13.5766 -3.5874 TIMING: 1375800 CPU: 4369.27, 0.00322705/step Wall: 4369.27, 0.00322705/step, 3.24874 hours remaining, 238.460938 MB of memory in use. ENERGY: 1375800 3962.6744 20621.8879 14370.9919 210.1933 -204015.1072 2718.4202 0.0000 0.0000 51870.9448 -110259.9949 298.1030 -162130.9396 -109900.6833 297.8027 137.5185 167.0149 758717.1359 14.9592 15.0332 PRESSURE: 1376000 200.366 -110.291 48.8087 -110.291 24.6655 111.485 48.8086 111.485 124.059 GPRESSURE: 1376000 180.096 -65.6259 47.7366 -164.327 95.5949 178.198 -91.3507 -2.69444 177.968 PRESSAVG: 1376000 8.40982 -44.6801 53.4509 -44.6801 26.2781 9.51873 53.4509 9.51874 -21.9601 GPRESSAVG: 1376000 7.8206 -43.0336 52.6633 -46.9799 26.5705 10.3869 50.9667 6.79364 -21.8138 TIMING: 1376000 CPU: 4369.9, 0.00316652/step Wall: 4369.9, 0.00316652/step, 3.18763 hours remaining, 238.460938 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: 1376000 4003.8559 20469.3316 14467.1892 244.0893 -203749.0256 2679.3566 0.0000 0.0000 51734.8206 -110150.3824 297.3207 -161885.2030 -109796.3821 298.2834 116.3635 151.2197 759186.2677 4.2426 4.1924 PRESSURE: 1376200 26.0493 91.4348 89.909 91.4349 124.361 -27.296 89.9092 -27.2949 55.006 GPRESSURE: 1376200 130.561 36.8294 59.7485 83.6619 78.277 46.9833 104.917 -65.7329 80.1121 PRESSAVG: 1376200 10.8039 -52.8928 50.132 -52.8928 9.17802 13.8753 50.1319 13.8753 -7.70965 GPRESSAVG: 1376200 10.597 -54.3454 49.67 -50.7501 7.30731 13.9565 52.7669 15.6335 -6.62344 TIMING: 1376200 CPU: 4370.54, 0.00319155/step Wall: 4370.54, 0.00319155/step, 3.21265 hours remaining, 238.460938 MB of memory in use. ENERGY: 1376200 3933.5683 20538.6000 14483.5025 268.1062 -203463.7585 2413.4376 0.0000 0.0000 51657.7323 -110168.8116 296.8777 -161826.5439 -109812.0339 297.8427 68.4721 96.3167 759430.8689 4.0908 3.7603 LDB: ============= START OF LOAD BALANCING ============== 4383 LDB: ============== END OF LOAD BALANCING =============== 4383 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4383 LDB: ============= START OF LOAD BALANCING ============== 4383.33 LDB: Largest compute 7059 load 0.039079 is 20.0% of average load 0.195142 LDB: Average compute 0.004412 is 2.3% of average load 0.195142 LDB: TIME 4383.33 LOAD: AVG 0.195142 MAX 0.215328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.168 MB LDB: TIME 4383.33 LOAD: AVG 0.195142 MAX 0.215328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.172 MB LDB: TIME 4383.33 LOAD: AVG 0.195142 MAX 0.215328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.172 MB LDB: ============== END OF LOAD BALANCING =============== 4383.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4383.34 PRESSURE: 1376400 -226.143 -156.733 222.175 -156.734 -192.168 134.4 222.174 134.399 -31.0454 GPRESSURE: 1376400 -213.776 -183.154 234.521 -258.681 -164.897 132.754 100.091 1.87549 18.5739 PRESSAVG: 1376400 7.81834 -80.3429 24.1696 -80.3429 14.6908 9.04503 24.1696 9.04508 5.92643 GPRESSAVG: 1376400 6.21937 -79.422 24.5012 -83.2549 15.3332 8.65899 20.3849 7.05925 6.7481 TIMING: 1376400 CPU: 4371.2, 0.0033049/step Wall: 4371.2, 0.0033049/step, 3.32657 hours remaining, 238.449219 MB of memory in use. ENERGY: 1376400 3990.9673 20675.5939 14480.8135 253.2196 -203719.3110 2509.3054 0.0000 0.0000 51747.2148 -110062.1966 297.3920 -161809.4114 -109699.9255 298.0176 -149.7853 -120.0329 759819.3142 9.4785 9.4335 PRESSURE: 1376600 -475.357 -39.7771 -48.3524 -39.7776 -82.5677 3.624 -48.3516 3.62371 292.529 GPRESSURE: 1376600 -328.358 76.8928 -137.784 -66.653 -158.138 -54.5365 -38.6142 12.5136 305.071 PRESSAVG: 1376600 2.56608 -124.291 41.4343 -124.291 -9.61361 32.7981 41.4342 32.7982 33.0531 GPRESSAVG: 1376600 3.69907 -124.799 42.8567 -123.041 -10.5141 31.4219 42.202 33.634 32.9905 TIMING: 1376600 CPU: 4371.85, 0.00322608/step Wall: 4371.85, 0.00322608/step, 3.24705 hours remaining, 238.515625 MB of memory in use. ENERGY: 1376600 3978.3798 20607.2288 14532.3005 236.9116 -203601.8147 2487.2993 0.0000 0.0000 51775.7335 -109983.9612 297.5559 -161759.6948 -109624.4095 298.3313 -88.4651 -60.4748 761540.7977 8.6685 8.7251 PRESSURE: 1376800 -213.729 -177.657 -7.80566 -177.655 -99.1551 25.9773 -7.80727 25.9771 -102.299 GPRESSURE: 1376800 -143.152 -154.03 -0.103672 -38.7931 -115.179 -23.0718 63.3035 75.0108 -62.5837 PRESSAVG: 1376800 3.06655 -84.6615 -35.7465 -84.6615 -34.7146 -29.1198 -35.7465 -29.1198 4.84703 GPRESSAVG: 1376800 4.23727 -83.5992 -37.489 -84.034 -33.5605 -27.8613 -34.2357 -27.9057 2.61977 TIMING: 1376800 CPU: 4372.48, 0.00317922/step Wall: 4372.48, 0.00317922/step, 3.19971 hours remaining, 238.515625 MB of memory in use. ENERGY: 1376800 3944.2969 20461.9286 14540.3430 234.7744 -203843.6522 2739.7336 0.0000 0.0000 51970.2957 -109952.2802 298.6740 -161922.5758 -109579.2696 298.1748 -138.3943 -106.9717 762575.2702 -8.9337 -8.9012 PRESSURE: 1377000 -47.7282 -293.266 -19.8066 -293.265 -363.599 -137.909 -19.8063 -137.909 -208.284 GPRESSURE: 1377000 -27.5497 -293.457 23.8608 -249.233 -301.919 -89.7282 -73.4747 -200.188 -200.671 PRESSAVG: 1377000 -7.39896 -75.5135 8.42181 -75.5135 18.1291 -4.80615 8.42178 -4.80616 0.336482 GPRESSAVG: 1377000 -7.65111 -76.3239 7.69163 -77.0162 17.7317 -5.19725 7.55851 -2.98606 1.28639 TIMING: 1377000 CPU: 4373.13, 0.00321054/step Wall: 4373.13, 0.00321054/step, 3.23105 hours remaining, 238.515625 MB of memory in use. ENERGY: 1377000 3977.9422 20579.4510 14459.9348 240.8905 -204072.0112 3041.5584 0.0000 0.0000 51891.1000 -109881.1341 298.2189 -161772.2341 -109513.0356 298.3402 -206.5369 -176.7135 762656.3042 3.6889 3.7890 PRESSURE: 1377200 -69.3691 -241.01 -88.0267 -241.01 -310.511 77.4522 -88.0266 77.4526 -294.542 GPRESSURE: 1377200 -86.2548 -326.595 -57.9501 -195.912 -261.822 61.3484 -124.36 87.3322 -240.836 PRESSAVG: 1377200 -0.800035 -92.093 0.0270224 -92.093 -12.7409 9.24562 0.0269949 9.24564 24.9276 GPRESSAVG: 1377200 -1.45729 -92.758 2.71381 -91.1259 -12.3 9.919 -0.283391 6.74048 25.0156 TIMING: 1377200 CPU: 4373.77, 0.00321917/step Wall: 4373.77, 0.00321917/step, 3.23956 hours remaining, 238.515625 MB of memory in use. ENERGY: 1377200 4025.6927 20529.9382 14487.2015 234.2463 -203524.8902 2494.0052 0.0000 0.0000 51715.0433 -110038.7630 297.2071 -161753.8064 -109679.0961 298.1027 -224.8074 -196.3045 761772.7093 3.7956 3.7528 PRESSURE: 1377400 -104.544 136.561 -174.845 136.56 -9.40948 32.5694 -174.845 32.568 -259.116 GPRESSURE: 1377400 -135.435 123.121 -128.739 56.6976 11.9475 -13.1383 -216.207 147.946 -158.518 PRESSAVG: 1377400 -34.1804 -47.9571 -55.8511 -47.9571 -0.35347 -3.04272 -55.851 -3.04275 -9.44374 GPRESSAVG: 1377400 -34.1724 -46.5703 -56.7882 -49.7513 -0.168544 -2.7775 -56.0529 -2.3015 -9.37035 TIMING: 1377400 CPU: 4374.41, 0.00319483/step Wall: 4374.41, 0.00319483/step, 3.21488 hours remaining, 238.515625 MB of memory in use. ENERGY: 1377400 3983.7044 20635.4595 14493.3991 257.4505 -203752.0609 2407.4133 0.0000 0.0000 51899.5799 -110075.0542 298.2676 -161974.6341 -109719.6027 298.3156 -124.3563 -94.0018 760121.3863 -14.6592 -14.5704 PRESSURE: 1377600 -272.597 -125.396 -142.54 -125.397 -70.6105 -6.24237 -142.541 -6.24265 -177.07 GPRESSURE: 1377600 -132.054 -172.112 -170.77 -13.8442 -150.655 -61.2368 -49.7218 24.9453 -154.955 PRESSAVG: 1377600 9.17439 -29.1587 -37.9014 -29.1588 6.63268 8.3127 -37.9014 8.31267 -1.79172 GPRESSAVG: 1377600 10.2705 -28.8854 -38.7347 -27.6987 5.93861 7.3852 -37.7796 9.65377 -1.86015 TIMING: 1377600 CPU: 4375.05, 0.00318735/step Wall: 4375.05, 0.00318735/step, 3.20718 hours remaining, 238.515625 MB of memory in use. ENERGY: 1377600 3985.2319 20445.5746 14446.6870 254.8432 -203589.4510 2473.6322 0.0000 0.0000 51847.3405 -110136.1416 297.9674 -161983.4821 -109773.6421 298.4734 -173.4261 -145.8880 760530.1521 4.6718 4.7830 PRESSURE: 1377800 -323.946 234.744 140.818 234.744 -76.1289 132.972 140.818 132.972 -180.216 GPRESSURE: 1377800 -263.958 280.928 90.6993 190.035 -71.4773 55.0981 188.136 88.2657 -183.254 PRESSAVG: 1377800 10.129 -10.1107 12.338 -10.1106 27.8749 33.7784 12.3379 33.7784 6.77991 GPRESSAVG: 1377800 10.1954 -11.7484 13.4637 -10.4419 27.6425 35.2943 13.8239 33.9773 6.84636 TIMING: 1377800 CPU: 4375.69, 0.00320039/step Wall: 4375.69, 0.0032004/step, 3.22013 hours remaining, 238.515625 MB of memory in use. ENERGY: 1377800 3936.9318 20463.5197 14502.3872 253.6728 -203423.4049 2368.5544 0.0000 0.0000 51836.8183 -110061.5207 297.9069 -161898.3390 -109694.3168 298.0721 -193.4304 -172.8966 761458.6924 14.9279 14.8947 PRESSURE: 1378000 162.929 -110.901 172.569 -110.901 39.1468 -113.385 172.569 -113.384 -179.876 GPRESSURE: 1378000 157.819 -211.649 149.997 6.32972 113.915 -113.953 100.736 -64.5236 -186.55 PRESSAVG: 1378000 31.726 -41.518 33.9139 -41.5181 9.88523 10.3819 33.9139 10.3819 -5.71968 GPRESSAVG: 1378000 31.0788 -41.7785 33.4657 -40.0035 10.7945 9.3467 32.7389 8.44363 -5.68345 TIMING: 1378000 CPU: 4376.33, 0.00320404/step Wall: 4376.33, 0.00320404/step, 3.22362 hours remaining, 238.515625 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: 1378000 3997.6998 20669.0382 14458.5742 240.3881 -204060.9568 2669.4981 0.0000 0.0000 52270.8106 -109754.9478 300.4011 -162025.7583 -109398.4985 298.7635 7.4001 28.3947 759757.0576 11.9638 12.0633 PRESSURE: 1378200 -333.551 63.0418 -28.0798 63.0416 -71.7495 -230.481 -28.0802 -230.48 -156.701 GPRESSURE: 1378200 -397.268 37.0522 -57.7106 -8.59068 -32.3144 -253.356 121.333 -63.6162 -51.5156 PRESSAVG: 1378200 -28.4444 -101.109 16.2659 -101.109 -23.495 -12.4012 16.2659 -12.4012 -11.4653 GPRESSAVG: 1378200 -28.3441 -97.8073 15.7374 -102.892 -24.3235 -12.0721 17.2427 -12.4447 -10.9883 TIMING: 1378200 CPU: 4376.97, 0.00322346/step Wall: 4376.97, 0.00322346/step, 3.24298 hours remaining, 238.515625 MB of memory in use. ENERGY: 1378200 4025.0455 20374.7813 14542.4473 247.9235 -203744.9148 2569.6379 0.0000 0.0000 52235.6452 -109749.4342 300.1990 -161985.0794 -109384.1542 298.9736 -187.3337 -160.3662 760372.8269 -21.1349 -21.2186 PRESSURE: 1378400 19.8853 33.6065 170.246 33.6064 -341.276 -76.359 170.246 -76.3594 143.712 GPRESSURE: 1378400 7.91655 44.6111 171.701 -1.60138 -252.718 -43.6566 218.706 -147.02 151.545 PRESSAVG: 1378400 -31.8587 -40.3159 22.1939 -40.3159 12.762 -19.3983 22.194 -19.3983 0.855023 GPRESSAVG: 1378400 -31.5877 -42.6088 23.4418 -38.5228 14.1406 -20.0869 21.7484 -16.709 -0.0705355 TIMING: 1378400 CPU: 4377.62, 0.00323384/step Wall: 4377.62, 0.00323384/step, 3.25325 hours remaining, 238.515625 MB of memory in use. ENERGY: 1378400 3940.8294 20662.4124 14547.1848 260.2649 -203278.2716 2334.6033 0.0000 0.0000 51772.3734 -109760.6034 297.5365 -161532.9768 -109400.4836 298.6901 -59.2263 -31.0854 763163.4252 -6.0806 -5.8392 PRESSURE: 1378600 170.934 -238.196 -9.09142 -238.197 -115.271 -9.56985 -9.09134 -9.56884 -36.6213 GPRESSURE: 1378600 230.023 -354.185 -21.7005 -283.225 -38.6534 -92.2152 -31.1648 -37.8289 -68.9253 PRESSAVG: 1378600 -17.1482 54.6743 15.4827 54.6743 47.5535 7.55416 15.4827 7.55411 13.5429 GPRESSAVG: 1378600 -18.2917 54.8801 16.754 53.8591 46.7944 6.82863 15.4434 6.52248 15.2331 TIMING: 1378600 CPU: 4378.26, 0.00319244/step Wall: 4378.26, 0.00319244/step, 3.21142 hours remaining, 238.515625 MB of memory in use. ENERGY: 1378600 4040.7699 20356.5378 14446.7738 248.3935 -203551.2426 2782.5874 0.0000 0.0000 52019.4034 -109656.7768 298.9562 -161676.1802 -109287.3042 298.9758 6.3470 40.8146 763157.4127 14.6494 14.5786 PRESSURE: 1378800 202.378 -54.1326 22.5938 -54.1327 64.5243 -75.0562 22.594 -75.0546 481.188 GPRESSURE: 1378800 258.848 -27.4151 7.63413 -146.899 94.7359 -58.2554 -121.323 -74.7826 470.818 PRESSAVG: 1378800 8.70074 -7.97029 -11.8296 -7.9702 -6.23625 -11.0689 -11.8296 -11.0689 -12.6769 GPRESSAVG: 1378800 9.86941 -8.61489 -13.4123 -8.15713 -6.43391 -10.1015 -11.9224 -10.7714 -13.8756 TIMING: 1378800 CPU: 4378.9, 0.00322447/step Wall: 4378.9, 0.00322447/step, 3.24345 hours remaining, 238.515625 MB of memory in use. ENERGY: 1378800 3960.6943 20414.1702 14498.9333 247.6545 -203712.2526 2836.8125 0.0000 0.0000 52163.2024 -109590.7855 299.7826 -161753.9879 -109231.5346 298.8730 249.3635 274.8007 762661.3255 -3.4042 -3.4800 PRESSURE: 1379000 204.335 -124.953 -70.3556 -124.954 181.08 75.3499 -70.3554 75.3506 -300.143 GPRESSURE: 1379000 173.653 -133.537 -109.144 -186.745 195.452 72.3865 27.1826 91.3649 -200.536 PRESSAVG: 1379000 9.71865 -84.8185 22.2866 -84.8185 4.14289 -36.435 22.2866 -36.4349 -21.8553 GPRESSAVG: 1379000 8.5965 -83.0486 23.1368 -84.4507 3.93562 -35.7838 21.0127 -39.0088 -20.9682 TIMING: 1379000 CPU: 4379.55, 0.00324106/step Wall: 4379.55, 0.00324106/step, 3.25996 hours remaining, 238.515625 MB of memory in use. ENERGY: 1379000 3966.1740 20568.3623 14419.5765 251.4088 -203412.5111 2576.8897 0.0000 0.0000 52187.3180 -109442.7819 299.9212 -161630.0999 -109081.3644 299.2444 28.4240 56.1896 762708.7067 -2.6646 -2.8120 PRESSURE: 1379200 -150.625 -63.4804 -166.26 -63.4811 -205.041 76.5629 -166.26 76.5626 260.988 GPRESSURE: 1379200 -59.5698 -66.6155 -171.336 130.825 -202.389 32.8506 -106.613 129.362 246.165 PRESSAVG: 1379200 -30.8524 -28.0282 29.2023 -28.0282 93.7779 12.8511 29.2023 12.851 -29.8041 GPRESSAVG: 1379200 -30.0779 -28.277 29.3255 -27.568 94.0133 12.3574 29.9511 13.2921 -31.273 TIMING: 1379200 CPU: 4380.19, 0.00321098/step Wall: 4380.19, 0.00321098/step, 3.22954 hours remaining, 238.515625 MB of memory in use. ENERGY: 1379200 3936.3692 20626.1999 14442.2769 237.3410 -203516.6466 2760.2937 0.0000 0.0000 52191.5952 -109322.5707 299.9458 -161514.1659 -108965.5674 299.5485 -31.5592 -5.2645 762074.5399 11.0404 10.8875 PRESSURE: 1379400 89.5636 -66.3012 -137.855 -66.3003 201.271 16.1629 -137.854 16.1629 167.676 GPRESSURE: 1379400 222.381 -0.971374 -210.837 -31.6012 204.061 -0.0419356 -75.1252 -101.978 137.374 PRESSAVG: 1379400 -40.7819 -51.0034 18.3471 -51.0034 68.7901 -25.7522 18.3471 -25.7523 22.7596 GPRESSAVG: 1379400 -41.3723 -52.6648 17.6356 -51.0663 69.2269 -26.0829 20.0499 -24.7579 23.1699 TIMING: 1379400 CPU: 4380.84, 0.00321707/step Wall: 4380.84, 0.00321707/step, 3.23548 hours remaining, 238.515625 MB of memory in use. ENERGY: 1379400 3932.2171 20534.9962 14427.4278 244.6186 -203641.3131 2749.8136 0.0000 0.0000 52233.4427 -109518.7970 300.1863 -161752.2397 -109150.3952 299.9125 152.8369 187.9383 761515.0855 16.9226 17.0082 PRESSURE: 1379600 83.2305 154.196 137.132 154.196 -249.35 -195.967 137.132 -195.967 -84.3488 GPRESSURE: 1379600 140.41 128.476 75.1063 122.024 -264.168 -165.52 -26.0677 -207.266 -33.7698 PRESSAVG: 1379600 -95.7312 -68.8705 1.62954 -68.8705 40.6991 -27.7512 1.6295 -27.7512 12.9982 GPRESSAVG: 1379600 -95.5749 -67.449 0.7404 -69.4797 41.0896 -26.2209 0.589579 -28.3702 12.8969 TIMING: 1379600 CPU: 4381.48, 0.00320432/step Wall: 4381.48, 0.00320432/step, 3.22248 hours remaining, 238.515625 MB of memory in use. ENERGY: 1379600 3931.4918 20336.9295 14465.0564 244.8465 -203146.8413 2335.1887 0.0000 0.0000 52179.6019 -109653.7264 299.8769 -161833.3283 -109285.2460 299.3414 -83.4896 -52.5094 760018.8383 -14.0113 -13.8628 PRESSURE: 1379800 -349.577 -143.123 -172.491 -143.124 -581.623 33.3291 -172.491 33.3287 -176.462 GPRESSURE: 1379800 -350.007 -121.979 -204.97 -118.422 -418.532 -16.7329 -174.017 65.0921 -251.698 PRESSAVG: 1379800 -9.14058 -6.84871 16.9855 -6.84868 22.0721 -35.8783 16.9854 -35.8783 20.4987 GPRESSAVG: 1379800 -9.53708 -6.95224 17.5038 -6.07561 22.4075 -36.486 15.8306 -35.6847 21.3925 TIMING: 1379800 CPU: 4382.12, 0.00321169/step Wall: 4382.12, 0.00321169/step, 3.22971 hours remaining, 238.515625 MB of memory in use. ENERGY: 1379800 3995.3910 20445.0972 14472.2523 230.2898 -202755.8192 2077.3335 0.0000 0.0000 51980.0658 -109555.3896 298.7302 -161535.4554 -109189.8345 299.4263 -369.2209 -340.0791 761526.0270 11.1434 11.4210 PRESSURE: 1380000 -105.722 -282.149 -409.915 -282.15 -101.046 105.723 -409.914 105.723 18.0731 GPRESSURE: 1380000 -48.9433 -316.912 -307.932 -180.877 -112.123 112.427 -267.748 -30.1619 54.6382 PRESSAVG: 1380000 16.9045 -66.8426 -49.6753 -66.8426 16.201 -8.02459 -49.6753 -8.02456 6.08526 GPRESSAVG: 1380000 16.8386 -66.404 -46.7856 -66.1819 17.6298 -7.98372 -49.7794 -6.91635 5.11063 TIMING: 1380000 CPU: 4382.76, 0.00318544/step Wall: 4382.76, 0.00318544/step, 3.20314 hours remaining, 238.515625 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: 1380000 4004.8227 20551.1826 14485.7429 249.6382 -203266.8419 2391.9773 0.0000 0.0000 52246.6883 -109336.7900 300.2624 -161583.4783 -108970.7941 299.1220 -62.8982 -35.4759 760854.2043 13.0636 13.1930 PRESSURE: 1380200 -91.7665 112.347 -32.2526 112.346 -28.634 275.734 -32.2525 275.735 14.0639 GPRESSURE: 1380200 34.6233 62.3969 -74.918 21.6454 -20.984 217.469 -49.6442 237.841 -44.2578 PRESSAVG: 1380200 -15.884 -51.2705 -19.8492 -51.2704 37.4324 -8.2109 -19.8491 -8.21092 9.92469 GPRESSAVG: 1380200 -14.575 -51.4545 -20.3593 -52.6893 34.483 -8.40737 -19.5929 -9.76138 11.7513 TIMING: 1380200 CPU: 4383.4, 0.00323098/step Wall: 4383.4, 0.00323098/step, 3.24875 hours remaining, 238.515625 MB of memory in use. ENERGY: 1380200 4038.0426 20525.2061 14487.2915 244.7767 -203207.2764 2459.4858 0.0000 0.0000 52212.4671 -109240.0066 300.0658 -161452.4737 -108887.9006 300.0794 -35.4455 -10.2062 760337.9871 10.4910 10.5531 LDB: ============= START OF LOAD BALANCING ============== 4395.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4395.86 LDB: =============== DONE WITH MIGRATION ================ 4395.86 LDB: ============= START OF LOAD BALANCING ============== 4396.18 LDB: Largest compute 7059 load 0.039623 is 20.3% of average load 0.195169 LDB: Average compute 0.004408 is 2.3% of average load 0.195169 LDB: TIME 4396.19 LOAD: AVG 0.195169 MAX 0.21385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.941 MB LDB: TIME 4396.19 LOAD: AVG 0.195169 MAX 0.21385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.941 MB LDB: TIME 4396.19 LOAD: AVG 0.195169 MAX 0.21385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.941 MB LDB: ============== END OF LOAD BALANCING =============== 4396.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4396.19 PRESSURE: 1380400 -600.012 -14.0409 -4.22343 -14.0408 -172.321 -239.291 -4.22302 -239.291 -325.753 GPRESSURE: 1380400 -595.968 -57.847 -30.0508 80.3274 -59.2458 -188.93 11.0654 -239.555 -354.062 PRESSAVG: 1380400 -12.9603 -48.2574 45.1985 -48.2573 41.4826 -13.8891 45.1985 -13.889 6.30336 GPRESSAVG: 1380400 -12.76 -48.501 44.7186 -47.1501 43.5062 -13.031 44.4341 -13.2104 4.63664 TIMING: 1380400 CPU: 4384.06, 0.00327659/step Wall: 4384.06, 0.00327659/step, 3.29443 hours remaining, 237.238281 MB of memory in use. ENERGY: 1380400 4038.7887 20400.8367 14512.0302 226.8327 -202748.6867 2290.9084 0.0000 0.0000 52150.9914 -109128.2985 299.7125 -161279.2899 -108768.3709 299.8708 -366.0284 -336.4252 761455.9600 11.6086 11.7943 PRESSURE: 1380600 25.3335 122.767 -62.555 122.767 1.0594 -54.5992 -62.5552 -54.6005 358.791 GPRESSURE: 1380600 47.08 96.1735 -30.2607 28.9977 75.2813 -77.9396 -147.266 -84.3465 359.53 PRESSAVG: 1380600 -51.1142 21.0434 -7.28025 21.0434 30.7754 44.8721 -7.28022 44.8721 15.3867 GPRESSAVG: 1380600 -51.3576 19.5362 -7.60345 21.4695 30.2623 44.6027 -6.97669 45.0475 15.6464 TIMING: 1380600 CPU: 4384.7, 0.00320021/step Wall: 4384.7, 0.00320021/step, 3.21745 hours remaining, 237.238281 MB of memory in use. ENERGY: 1380600 4020.4096 20463.4482 14492.7525 255.3228 -203210.3455 2713.7015 0.0000 0.0000 51680.2641 -109584.4468 297.0072 -161264.7109 -109222.4490 299.2410 128.3946 160.6303 760101.7947 -1.6507 -1.8163 PRESSURE: 1380800 -103.862 142.596 42.0862 142.596 -257.66 -93.4072 42.0863 -93.4063 1.26238 GPRESSURE: 1380800 -51.8001 106.91 56.004 69.9832 -151.502 -124.945 64.4288 -59.8107 -64.6729 PRESSAVG: 1380800 -57.1848 47.1204 3.77351 47.1204 2.08115 11.5224 3.77353 11.5223 -1.2062 GPRESSAVG: 1380800 -57.9996 47.8024 1.77984 46.321 3.29862 11.7337 6.40486 10.4178 -1.75857 TIMING: 1380800 CPU: 4385.33, 0.00318617/step Wall: 4385.33, 0.00318617/step, 3.20316 hours remaining, 237.238281 MB of memory in use. ENERGY: 1380800 3963.0705 20488.3211 14486.7832 236.7549 -203399.9064 2432.2805 0.0000 0.0000 52185.0169 -109607.6795 299.9080 -161792.6964 -109244.3051 299.0353 -120.0866 -89.3251 759960.4892 -18.7700 -18.8199 PRESSURE: 1381000 -238.404 -154.366 49.4883 -154.366 155.224 14.4845 49.4888 14.4846 -28.2399 GPRESSURE: 1381000 -238.814 -60.4017 104.039 -187.322 222.835 16.3823 -102.323 -57.1672 -33.0316 PRESSAVG: 1381000 -14.4012 -39.0599 75.4765 -39.0599 -7.70628 31.0569 75.4765 31.057 -10.6081 GPRESSAVG: 1381000 -13.4792 -39.8611 76.1679 -38.0957 -8.61535 28.6368 74.513 34.0085 -10.6661 TIMING: 1381000 CPU: 4385.97, 0.00319128/step Wall: 4385.97, 0.00319128/step, 3.20812 hours remaining, 237.238281 MB of memory in use. ENERGY: 1381000 3952.3519 20587.3870 14500.8057 248.2409 -203277.0213 2435.3608 0.0000 0.0000 51936.1500 -109616.7249 298.4778 -161552.8749 -109263.9521 298.9832 -37.1398 -16.3370 760490.5391 -10.9052 -10.9202 PRESSURE: 1381200 193.819 -98.256 7.35529 -98.2561 300.133 -88.4413 7.35528 -88.4417 65.3134 GPRESSURE: 1381200 222.162 -0.659726 -6.58743 -70.2932 299.982 -71.6778 -28.6133 -71.9995 120.307 PRESSAVG: 1381200 1.03692 19.3511 -47.8903 19.3511 -37.4419 59.464 -47.8903 59.4642 -1.13144 GPRESSAVG: 1381200 0.518601 19.4041 -47.9052 18.5922 -37.5141 61.1369 -48.3456 55.8603 -0.194688 TIMING: 1381200 CPU: 4386.61, 0.00319422/step Wall: 4386.61, 0.00319422/step, 3.21091 hours remaining, 237.238281 MB of memory in use. ENERGY: 1381200 3947.8026 20444.0171 14499.8932 237.1143 -203482.7558 2658.4831 0.0000 0.0000 52080.5430 -109614.9025 299.3076 -161695.4456 -109253.1740 298.7148 186.4220 214.1501 758295.5924 -12.5121 -12.3967 PRESSURE: 1381400 207.281 -22.1309 -108.498 -22.1312 69.0932 270.054 -108.497 270.056 -36.7165 GPRESSURE: 1381400 270.282 98.8493 -104.105 -9.32254 18.8088 214.52 -22.2901 277.222 40.5473 PRESSAVG: 1381400 37.3026 8.20712 13.5431 8.2072 -49.116 -17.9171 13.5431 -17.917 -28.6536 GPRESSAVG: 1381400 36.8116 9.62297 13.2179 8.14934 -48.9661 -18.6639 12.8351 -16.2343 -28.4645 TIMING: 1381400 CPU: 4387.25, 0.00316884/step Wall: 4387.25, 0.00316884/step, 3.18521 hours remaining, 237.238281 MB of memory in use. ENERGY: 1381400 3978.9717 20494.6845 14420.6115 268.9408 -203445.8963 2520.7480 0.0000 0.0000 52203.9519 -109557.9879 300.0168 -161761.9398 -109194.6831 299.1981 79.8860 109.8795 760972.1806 -13.4890 -13.5397 PRESSURE: 1381600 88.2812 15.0716 192.948 15.0722 -151.016 126.029 192.948 126.029 49.3442 GPRESSURE: 1381600 118.726 -33.3106 170.114 -21.705 -126.947 105.803 172.303 59.1275 78.1005 PRESSAVG: 1381600 -15.8519 -30.0811 28.3112 -30.0812 15.0743 17.5821 28.3112 17.5822 30.226 GPRESSAVG: 1381600 -13.8687 -30.4809 26.6631 -31.5986 14.3638 17.1891 27.8085 16.5762 29.2076 TIMING: 1381600 CPU: 4387.89, 0.00320316/step Wall: 4387.89, 0.00320316/step, 3.21953 hours remaining, 237.238281 MB of memory in use. ENERGY: 1381600 4023.8339 20517.1056 14477.7722 258.0801 -204021.2439 2990.9130 0.0000 0.0000 51978.1807 -109775.3584 298.7193 -161753.5391 -109418.4373 299.1519 -4.4636 23.2932 758520.6629 9.8162 9.9009 PRESSURE: 1381800 40.651 -173.254 -230.845 -173.255 249.735 -183.393 -230.845 -183.393 -38.7512 GPRESSURE: 1381800 226.842 -190.148 -152.034 -224.499 163.686 -139.701 -159.032 27.5845 -47.0138 PRESSAVG: 1381800 11.9927 -72.666 -10.7039 -72.666 -22.7969 35.5872 -10.704 35.5872 -5.17817 GPRESSAVG: 1381800 9.84202 -73.5062 -8.66797 -73.1094 -21.8537 35.0983 -10.6437 36.1699 -3.6661 TIMING: 1381800 CPU: 4388.52, 0.00317509/step Wall: 4388.52, 0.00317509/step, 3.19114 hours remaining, 237.238281 MB of memory in use. ENERGY: 1381800 4006.9877 20493.8435 14525.8589 235.7735 -203488.6516 2561.9156 0.0000 0.0000 51908.1271 -109756.1453 298.3167 -161664.2723 -109390.1393 298.6092 83.8783 114.5046 758167.8010 -5.3275 -5.2259 PRESSURE: 1382000 352.503 295.462 -159.246 295.463 0.8252 0.120051 -159.247 0.119235 -382.914 GPRESSURE: 1382000 403.692 226.223 -202.063 320.721 28.315 146.127 -150.968 -76.3192 -361.202 PRESSAVG: 1382000 14.2849 -45.1861 -23.6826 -45.1861 7.70853 -43.6215 -23.6826 -43.6215 23.0191 GPRESSAVG: 1382000 15.2323 -44.6819 -24.5653 -43.2147 8.08047 -41.0963 -24.0198 -42.7985 21.6859 TIMING: 1382000 CPU: 4389.17, 0.00325075/step Wall: 4389.17, 0.00325075/step, 3.267 hours remaining, 237.238281 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 3949.8305 20411.7749 14404.0119 230.9976 -203594.2585 2624.4164 0.0000 0.0000 52155.9394 -109817.2878 299.7409 -161973.2272 -109460.2917 298.7294 -9.8621 23.6017 759382.8998 15.0042 14.9995 PRESSURE: 1382200 -461.455 38.4558 -245.404 38.4554 -131.524 40.9506 -245.404 40.9499 -80.3741 GPRESSURE: 1382200 -377.244 81.7063 -226.217 -25.7212 -177.087 22.9448 -143.632 -184.859 -21.1589 PRESSAVG: 1382200 -2.20448 25.5708 -0.896541 25.5708 -16.3041 20.4993 -0.896585 20.4993 -16.8691 GPRESSAVG: 1382200 -2.60953 27.298 -1.12704 24.0498 -17.0269 19.435 -0.734961 20.9426 -15.4614 TIMING: 1382200 CPU: 4389.81, 0.00320298/step Wall: 4389.81, 0.00320298/step, 3.21882 hours remaining, 237.238281 MB of memory in use. ENERGY: 1382200 4001.6636 20487.1527 14526.8200 245.1614 -203015.9165 2240.5980 0.0000 0.0000 51921.3600 -109593.1608 298.3928 -161514.5208 -109221.3220 299.0543 -224.4511 -191.8299 760154.5044 -11.7926 -11.6993 PRESSURE: 1382400 210.79 -94.6242 124.972 -94.6243 107.974 11.2651 124.972 11.2642 124.94 GPRESSURE: 1382400 272.823 0.68461 56.87 -23.0071 135.67 27.8533 157.952 -36.6778 112.459 PRESSAVG: 1382400 17.5377 -43.8509 -20.8774 -43.851 -11.4578 13.605 -20.8774 13.605 4.7636 GPRESSAVG: 1382400 17.4751 -43.4005 -19.4413 -44.1744 -10.6744 13.3218 -21.0151 12.2631 3.97608 TIMING: 1382400 CPU: 4390.45, 0.00318988/step Wall: 4390.45, 0.00318987/step, 3.20547 hours remaining, 237.238281 MB of memory in use. ENERGY: 1382400 4028.2428 20426.5428 14524.7148 274.0060 -203529.4813 2503.2354 0.0000 0.0000 52061.5800 -109711.1595 299.1986 -161772.7395 -109338.4266 299.5114 147.9012 173.6508 758255.7116 3.6145 3.5922 PRESSURE: 1382600 122.298 5.38448 -154.756 5.3843 -262.324 -35.797 -154.755 -35.7966 -325.106 GPRESSURE: 1382600 -13.0501 25.6212 -137.215 -105.676 -148.249 -15.38 -134.024 -56.5883 -217.752 PRESSAVG: 1382600 22.8799 -31.2892 -30.3531 -31.2892 8.65062 12.437 -30.3531 12.437 18.1244 GPRESSAVG: 1382600 22.2848 -34.2121 -29.4204 -30.7976 9.77096 13.367 -29.9776 14.5455 17.4073 TIMING: 1382600 CPU: 4391.09, 0.00321859/step Wall: 4391.09, 0.00321859/step, 3.23414 hours remaining, 237.238281 MB of memory in use. ENERGY: 1382600 4079.7973 20494.5043 14526.4879 251.4431 -203816.1995 2668.7868 0.0000 0.0000 52082.7150 -109712.4651 299.3201 -161795.1801 -109348.2159 299.2546 -155.0443 -126.3502 758567.3591 16.5516 16.4877 PRESSURE: 1382800 -133.145 83.2003 44.7216 83.2002 -97.8182 156.961 44.7209 156.961 -380.946 GPRESSURE: 1382800 -75.41 3.85205 -43.0191 7.20177 -108.167 205.659 108.481 157.086 -336.094 PRESSAVG: 1382800 -17.9802 -14.2893 14.6352 -14.2894 39.9954 18.2871 14.6351 18.2871 -5.98938 GPRESSAVG: 1382800 -16.908 -13.394 14.5127 -14.3394 39.8109 16.5456 14.549 17.9499 -7.01389 TIMING: 1382800 CPU: 4391.73, 0.00320341/step Wall: 4391.73, 0.00320341/step, 3.21872 hours remaining, 237.238281 MB of memory in use. ENERGY: 1382800 4012.9427 20619.3901 14503.3556 251.6868 -203867.8335 2599.6657 0.0000 0.0000 52143.8513 -109736.9413 299.6714 -161880.7926 -109372.5227 299.5447 -203.9697 -173.2237 758737.9418 5.3419 5.2963 PRESSURE: 1383000 -421.995 13.7196 129.709 13.719 -436.074 53.4043 129.709 53.4041 -633.263 GPRESSURE: 1383000 -338.248 4.715 97.9231 -5.79061 -402.978 109.224 175.436 -18.2538 -662.948 PRESSAVG: 1383000 12.7968 -32.338 49.8622 -32.3381 -33.9378 12.6062 49.8622 12.6061 -2.25657 GPRESSAVG: 1383000 12.1332 -32.5947 50.4081 -31.9055 -34.057 14.063 50.3338 10.2322 -1.16901 TIMING: 1383000 CPU: 4392.38, 0.00322818/step Wall: 4392.38, 0.00322818/step, 3.24342 hours remaining, 237.238281 MB of memory in use. ENERGY: 1383000 4055.7011 20718.8996 14455.1038 255.1931 -203025.2379 2072.2721 0.0000 0.0000 52058.7246 -109409.3437 299.1822 -161468.0683 -109043.2822 299.6998 -497.1108 -468.0579 759537.6577 -7.7992 -7.6976 PRESSURE: 1383200 -23.2802 -123.6 134.518 -123.601 -0.102446 -235.964 134.519 -235.963 54.3631 GPRESSURE: 1383200 130.582 -65.4461 258.425 -123.277 -56.7806 -202.478 45.3015 -148.846 38.5692 PRESSAVG: 1383200 3.02456 -23.6889 7.40047 -23.6889 -8.49632 -21.3952 7.40043 -21.3952 36.2619 GPRESSAVG: 1383200 2.90526 -23.7265 7.9742 -22.9537 -8.33453 -21.8341 9.02989 -18.9452 35.6899 TIMING: 1383200 CPU: 4393.03, 0.00324389/step Wall: 4393.03, 0.00324389/step, 3.25903 hours remaining, 237.238281 MB of memory in use. ENERGY: 1383200 4054.6693 20465.9449 14484.6884 238.6779 -202985.4712 2158.6262 0.0000 0.0000 52051.6070 -109531.2575 299.1413 -161582.8646 -109163.5461 299.3260 10.3268 37.4567 760340.0511 10.2634 10.0869 PRESSURE: 1383400 324.587 -142.055 115.156 -142.056 364.247 -74.1427 115.155 -74.1435 18.5871 GPRESSURE: 1383400 247.871 -9.24833 150.97 -193.925 413.826 -4.74419 185.893 -101.378 120.202 PRESSAVG: 1383400 -36.4887 -29.44 32.2043 -29.4401 14.3615 -56.8033 32.2043 -56.8032 -11.2734 GPRESSAVG: 1383400 -37.4494 -28.6113 32.0061 -30.93 13.0392 -56.8401 28.5579 -58.2692 -9.13184 TIMING: 1383400 CPU: 4393.67, 0.00322708/step Wall: 4393.67, 0.00322708/step, 3.24196 hours remaining, 237.238281 MB of memory in use. ENERGY: 1383400 3992.7460 20688.0066 14431.6702 234.3496 -203519.2170 2667.3227 0.0000 0.0000 51989.4019 -109515.7201 298.7838 -161505.1220 -109147.1629 299.3188 235.8070 260.6330 758063.9671 -11.1335 -11.1807 PRESSURE: 1383600 18.0199 -133.16 289.759 -133.16 163.68 -61.3398 289.758 -61.3387 -362.372 GPRESSURE: 1383600 80.611 -93.3333 250.389 -25.0704 178.622 -119.08 257.639 -52.3011 -321.678 PRESSAVG: 1383600 -4.98958 -40.7951 31.993 -40.7951 -3.40834 -62.3295 31.993 -62.3295 24.574 GPRESSAVG: 1383600 -4.00817 -40.2719 31.9635 -41.5997 -3.44595 -62.7872 32.8337 -62.2177 23.5578 TIMING: 1383600 CPU: 4394.33, 0.00325728/step Wall: 4394.33, 0.00325728/step, 3.27211 hours remaining, 237.238281 MB of memory in use. ENERGY: 1383600 4045.9807 20553.0436 14427.5774 252.2313 -203633.5896 2721.6099 0.0000 0.0000 52115.8952 -109517.2514 299.5108 -161633.1466 -109150.0860 299.1680 -60.2240 -20.8149 760374.6779 5.3920 5.3679 PRESSURE: 1383800 68.1844 86.7886 55.4329 86.7883 128.724 61.3813 55.4335 61.3819 425.038 GPRESSURE: 1383800 121.625 4.60126 50.153 62.9302 128.203 -53.3399 -113.851 32.5394 467.91 PRESSAVG: 1383800 -53.3915 -25.8093 -16.8064 -25.8093 34.5682 -30.3092 -16.8065 -30.3092 23.3326 GPRESSAVG: 1383800 -54.0249 -27.5188 -18.2876 -24.53 35.8048 -29.7561 -16.0485 -31.7357 22.8843 TIMING: 1383800 CPU: 4394.97, 0.00323048/step Wall: 4394.97, 0.00323048/step, 3.24502 hours remaining, 237.238281 MB of memory in use. ENERGY: 1383800 3954.1612 20557.6013 14470.2553 226.1975 -203416.7449 2526.7951 0.0000 0.0000 52218.7205 -109463.0140 300.1017 -161681.7344 -109091.1497 299.1704 207.3157 239.2460 760137.2587 1.5031 1.5547 PRESSURE: 1384000 -78.7716 157.271 248.993 157.271 -315.799 63.1605 248.993 63.1601 113.257 GPRESSURE: 1384000 3.03487 99.5907 195.857 83.8051 -267.856 67.6479 168.711 24.3397 86.0639 PRESSAVG: 1384000 7.38753 -15.3804 -39.8645 -15.3805 62.8925 34.5627 -39.8645 34.5627 -12.3146 GPRESSAVG: 1384000 7.49643 -14.3537 -40.0283 -13.7088 62.5208 33.1692 -38.7754 37.1317 -11.71 TIMING: 1384000 CPU: 4395.61, 0.00319858/step Wall: 4395.61, 0.00319858/step, 3.21279 hours remaining, 237.238281 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 3987.4130 20428.0207 14443.6121 250.7131 -203053.7196 2011.7128 0.0000 0.0000 52581.5402 -109350.7076 302.1868 -161932.2479 -108966.4702 299.7804 -93.7711 -59.5857 759976.1084 19.3218 19.4357 PRESSURE: 1384200 282.436 32.137 74.7933 32.1372 -202.545 -346.388 74.7933 -346.388 141.167 GPRESSURE: 1384200 316.61 34.7731 143.405 133.13 -200.854 -251.297 -22.6347 -353.136 176.46 PRESSAVG: 1384200 -18.4099 -0.0692596 -22.6667 -0.0692644 28.4225 -80.8313 -22.6667 -80.8313 8.79057 GPRESSAVG: 1384200 -18.0622 0.730163 -21.5088 -1.07596 28.1139 -80.445 -23.9609 -80.9738 8.78416 TIMING: 1384200 CPU: 4396.25, 0.00320673/step Wall: 4396.25, 0.00320673/step, 3.2208 hours remaining, 237.238281 MB of memory in use. ENERGY: 1384200 3912.2456 20562.0836 14411.1795 234.5664 -203167.4458 2540.3602 0.0000 0.0000 51991.5140 -109515.4964 298.7959 -161507.0105 -109158.1127 299.4890 73.6862 97.4053 759723.8009 6.2677 6.2786 LDB: ============= START OF LOAD BALANCING ============== 4408.71 LDB: ============== END OF LOAD BALANCING =============== 4408.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4408.71 LDB: ============= START OF LOAD BALANCING ============== 4409.03 LDB: Largest compute 7059 load 0.037749 is 19.4% of average load 0.195043 LDB: Average compute 0.004396 is 2.3% of average load 0.195043 LDB: TIME 4409.03 LOAD: AVG 0.195043 MAX 0.212503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.727 MB LDB: TIME 4409.03 LOAD: AVG 0.195043 MAX 0.212503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.73 MB LDB: TIME 4409.03 LOAD: AVG 0.195043 MAX 0.212503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.73 MB LDB: ============== END OF LOAD BALANCING =============== 4409.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4409.04 PRESSURE: 1384400 -29.285 -201.438 44.9041 -201.437 -238.314 -207.665 44.9038 -207.666 -175.256 GPRESSURE: 1384400 51.428 -36.7154 101.564 -140.067 -234.097 -213.374 41.4261 -211.475 -161.948 PRESSAVG: 1384400 -13.8912 -11.0296 -7.08549 -11.0296 -6.95156 -25.0947 -7.08543 -25.0947 -20.5038 GPRESSAVG: 1384400 -12.9518 -11.4945 -8.57299 -8.95878 -6.95186 -23.1727 -5.22235 -28.1775 -22.0208 TIMING: 1384400 CPU: 4396.9, 0.00325946/step Wall: 4396.9, 0.00325946/step, 3.27358 hours remaining, 236.726562 MB of memory in use. ENERGY: 1384400 4057.8856 20602.0885 14486.9708 238.0043 -203030.9604 2246.1091 0.0000 0.0000 52142.0558 -109257.8463 299.6611 -161399.9021 -108909.4318 299.3520 -147.6184 -114.8725 760595.0473 -13.7822 -13.9748 PRESSURE: 1384600 166.021 -9.35046 -142.644 -9.35025 98.3526 43.9983 -142.645 43.9973 437.084 GPRESSURE: 1384600 229.771 -53.8521 -188.331 -161.096 235.088 -11.7563 -117.099 74.8288 332.603 PRESSAVG: 1384600 -19.6591 -55.4826 -32.2669 -55.4826 -20.1457 -39.5191 -32.2669 -39.519 -1.70981 GPRESSAVG: 1384600 -20.7662 -55.5704 -33.4874 -57.958 -19.6335 -40.5804 -31.528 -40.7394 -0.553598 TIMING: 1384600 CPU: 4397.55, 0.00322645/step Wall: 4397.55, 0.00322645/step, 3.24025 hours remaining, 236.925781 MB of memory in use. ENERGY: 1384600 4000.2302 20534.0000 14423.4993 238.1761 -203606.6782 2898.0401 0.0000 0.0000 52136.0008 -109376.7317 299.6263 -161512.7325 -109021.2180 299.6636 233.8191 265.8209 759129.4863 -13.8382 -13.6511 PRESSURE: 1384800 -289.083 -326.906 -69.8568 -326.905 -173.201 -64.7412 -69.8569 -64.7415 -74.1176 GPRESSURE: 1384800 -322.361 -350.292 -60.6447 -268.075 -72.1516 -146.804 -130.353 84.4052 -50.7239 PRESSAVG: 1384800 61.3365 -98.6321 11.1877 -98.6321 -25.3468 8.24844 11.1877 8.24838 -15.3362 GPRESSAVG: 1384800 60.9255 -99.8332 12.6586 -98.1494 -24.5391 7.78763 10.4514 11.2914 -15.5713 TIMING: 1384800 CPU: 4398.2, 0.00324008/step Wall: 4398.2, 0.00324008/step, 3.25376 hours remaining, 236.925781 MB of memory in use. ENERGY: 1384800 3948.6838 20584.0954 14386.8816 243.5360 -203054.8484 2330.7930 0.0000 0.0000 52227.4623 -109333.3963 300.1519 -161560.8585 -108979.5264 299.9447 -178.8006 -148.4123 761745.9586 6.8845 6.9383 PRESSURE: 1385000 -329.977 -204.679 150.283 -204.678 -91.1001 63.1964 150.283 63.1974 -49.12 GPRESSURE: 1385000 -230.241 -122.62 167.571 -167.93 -171.094 77.0413 34.0215 245.088 37.3777 PRESSAVG: 1385000 10.9061 -72.9359 38.1721 -72.9359 -26.2115 14.3721 38.1721 14.372 -0.571226 GPRESSAVG: 1385000 11.6559 -74.4078 38.2174 -71.5996 -27.3203 15.0667 36.9859 13.4772 -0.276801 TIMING: 1385000 CPU: 4398.84, 0.00322972/step Wall: 4398.84, 0.00322972/step, 3.24318 hours remaining, 236.925781 MB of memory in use. ENERGY: 1385000 4000.9149 20548.5635 14479.6809 262.2806 -202792.0131 2276.2871 0.0000 0.0000 51831.1843 -109393.1018 297.8745 -161224.2861 -109043.1676 299.6908 -156.7325 -121.3190 761886.7193 -5.2922 -5.3137 PRESSURE: 1385200 7.13763 -295.708 19.8784 -295.708 -132.067 58.1788 19.8787 58.1802 -46.4639 GPRESSURE: 1385200 73.3224 -168.208 68.2612 -209.745 -68.2637 137.876 -8.53202 -69.1523 -94.4007 PRESSAVG: 1385200 29.6483 -82.1786 -17.7735 -82.1785 -36.2811 -1.41901 -17.7735 -1.41895 11.3167 GPRESSAVG: 1385200 29.7791 -80.0444 -17.8668 -82.0335 -35.9843 -1.59983 -18.221 -1.04537 11.2866 TIMING: 1385200 CPU: 4399.49, 0.00323666/step Wall: 4399.49, 0.00323666/step, 3.24996 hours remaining, 236.925781 MB of memory in use. ENERGY: 1385200 3929.6504 20268.5792 14525.0012 245.1091 -203380.0323 2857.0534 0.0000 0.0000 51995.0989 -109559.5401 298.8165 -161554.6390 -109197.5302 299.7312 -57.1312 -29.7807 760576.3344 1.5613 1.6938 PRESSURE: 1385400 -24.5055 9.80758 107.269 9.80768 -100.095 96.6423 107.268 96.6438 -538.225 GPRESSURE: 1385400 -112.91 120.949 147.685 11.6629 -73.4539 54.9485 96.3685 223.905 -408.296 PRESSAVG: 1385400 55.9088 -56.1112 29.5784 -56.1112 -43.4289 -29.7297 29.5784 -29.7296 -5.65814 GPRESSAVG: 1385400 56.555 -57.0552 30.4152 -55.8217 -44.2845 -30.0286 29.9802 -27.8673 -5.5443 TIMING: 1385400 CPU: 4400.14, 0.00322633/step Wall: 4400.14, 0.00322633/step, 3.23941 hours remaining, 236.925781 MB of memory in use. ENERGY: 1385400 3946.2875 20342.5786 14440.5316 270.9251 -203254.8786 2462.8644 0.0000 0.0000 52105.0602 -109686.6312 299.4485 -161791.6914 -109334.5440 299.2776 -220.9419 -198.2200 760444.0349 2.2739 2.2421 PRESSURE: 1385600 -167.969 -223.634 223.996 -223.634 92.1409 -17.2791 223.997 -17.2798 -48.2806 GPRESSURE: 1385600 -159.352 -204.134 154.309 -196.564 159.408 2.7612 160.78 -26.8006 -39.2012 PRESSAVG: 1385600 42.2173 -9.17287 -8.36432 -9.17285 -46.5005 4.21584 -8.36427 4.21574 -4.5851 GPRESSAVG: 1385600 41.1359 -6.48113 -8.72812 -11.0571 -46.5041 4.79459 -7.76157 2.66063 -3.37545 TIMING: 1385600 CPU: 4400.78, 0.00320544/step Wall: 4400.78, 0.00320544/step, 3.21826 hours remaining, 236.925781 MB of memory in use. ENERGY: 1385600 4039.8024 20487.4547 14458.1396 249.9675 -203399.6877 2496.6106 0.0000 0.0000 52093.5780 -109574.1349 299.3825 -161667.7129 -109211.5005 299.1106 -41.3695 -13.0482 760527.2265 -2.9561 -2.9145 PRESSURE: 1385800 8.13819 -20.1441 -189.771 -20.1439 -46.6671 157.301 -189.77 157.3 0.85052 GPRESSURE: 1385800 92.5693 -47.9418 -88.6952 3.9564 -3.25022 159.702 -262.189 122.066 -42.4121 PRESSAVG: 1385800 37.6151 -16.9558 18.1501 -16.9559 -49.559 -18.385 18.1501 -18.3851 27.9864 GPRESSAVG: 1385800 39.1262 -18.0418 19.3382 -17.1608 -50.4603 -20.1794 17.6669 -16.2255 26.822 TIMING: 1385800 CPU: 4401.42, 0.00322631/step Wall: 4401.42, 0.00322631/step, 3.23903 hours remaining, 236.925781 MB of memory in use. ENERGY: 1385800 3940.3151 20388.9880 14497.7273 254.6831 -203109.0808 2377.7383 0.0000 0.0000 51894.7311 -109754.8979 298.2397 -161649.6290 -109395.1709 298.4243 -12.5595 15.6357 760012.3383 5.3475 5.1627 PRESSURE: 1386000 -201.666 -107.955 -26.4686 -107.955 -11.2204 68.2578 -26.4689 68.2587 -315.767 GPRESSURE: 1386000 -7.20674 -169.401 51.5903 -85.4979 -160.065 36.9428 -71.1815 160.593 -277.241 PRESSAVG: 1386000 -43.679 -37.038 -5.96972 -37.038 40.2619 -16.6635 -5.96969 -16.6634 -9.3617 GPRESSAVG: 1386000 -42.4846 -38.8917 -8.38202 -36.5408 40.1502 -16.9092 -6.45243 -19.6734 -10.4665 TIMING: 1386000 CPU: 4402.07, 0.00321357/step Wall: 4402.07, 0.00321357/step, 3.22607 hours remaining, 236.925781 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: 1386000 4036.2826 20590.9537 14501.1369 236.8280 -203545.8038 2458.4430 0.0000 0.0000 51919.8409 -109802.3187 298.3840 -161722.1596 -109442.7324 298.8100 -176.2177 -148.1710 758298.6465 -4.2596 -4.2670 PRESSURE: 1386200 177.825 128.299 186.833 128.298 231.472 194.341 186.833 194.34 187.246 GPRESSURE: 1386200 156.438 57.7538 128.249 60.8622 297.82 271.865 140.683 40.3566 223.17 PRESSAVG: 1386200 -5.57466 -11.6886 0.701543 -11.6886 10.7171 -17.2238 0.701584 -17.2239 10.6817 GPRESSAVG: 1386200 -7.15634 -11.1348 2.45414 -14.4846 11.6524 -15.1865 -0.343205 -17.6811 11.2987 TIMING: 1386200 CPU: 4402.7, 0.00318173/step Wall: 4402.7, 0.00318173/step, 3.19392 hours remaining, 236.925781 MB of memory in use. ENERGY: 1386200 3950.6425 20365.6315 14468.7872 254.2361 -203556.1939 2635.5222 0.0000 0.0000 52108.8594 -109772.5149 299.4703 -161881.3744 -109411.3017 299.3237 198.8477 225.8095 758477.6914 5.2747 5.2649 PRESSURE: 1386400 -68.2133 -11.8432 -31.1153 -11.8428 36.0239 -95.3441 -31.1154 -95.3422 -237.544 GPRESSURE: 1386400 -15.9333 -106.999 -38.529 16.0378 28.6513 -140.374 -83.877 -103.548 -191.016 PRESSAVG: 1386400 -39.5972 -16.6803 45.6192 -16.6803 43.2933 -7.35513 45.6192 -7.35515 2.18605 GPRESSAVG: 1386400 -40.057 -15.9015 45.8625 -13.1366 42.7592 -9.35098 46.3047 -5.91569 3.33921 TIMING: 1386400 CPU: 4403.34, 0.00319629/step Wall: 4403.34, 0.00319629/step, 3.20837 hours remaining, 236.925781 MB of memory in use. ENERGY: 1386400 4063.3324 20540.2250 14446.3325 253.9506 -203784.8219 2624.5170 0.0000 0.0000 52117.2622 -109739.2023 299.5186 -161856.4645 -109381.6344 298.7407 -89.9111 -59.4327 759242.7527 1.9607 2.0138 PRESSURE: 1386600 -160.162 -39.6984 84.6634 -39.698 -192.808 -92.488 84.6637 -92.4876 -506.38 GPRESSURE: 1386600 -177.804 64.3275 64.0774 -30.0123 -106.95 -85.326 17.1406 -78.6449 -480.447 PRESSAVG: 1386600 41.8457 24.9704 5.091 24.9704 -2.48652 4.38626 5.09095 4.38615 -17.9585 GPRESSAVG: 1386600 40.8757 25.6857 4.87418 22.841 -2.03497 4.77945 7.7773 3.28151 -18.1167 TIMING: 1386600 CPU: 4403.98, 0.00320703/step Wall: 4403.98, 0.00320703/step, 3.21896 hours remaining, 236.925781 MB of memory in use. ENERGY: 1386600 4011.3314 20299.9967 14410.6121 244.2207 -203245.6579 2153.7602 0.0000 0.0000 52247.9414 -109877.7954 300.2696 -162125.7368 -109508.8513 299.0349 -286.4500 -255.0671 759676.3234 7.1335 6.9080 PRESSURE: 1386800 -54.8774 -200.747 166.91 -200.747 259.316 136.952 166.91 136.952 200.984 GPRESSURE: 1386800 28.874 -194.845 152.353 -14.7996 335.816 -1.42493 147.384 207.815 148.157 PRESSAVG: 1386800 -13.3915 -20.8195 14.0751 -20.8195 5.82391 29.2118 14.0751 29.2119 30.7795 GPRESSAVG: 1386800 -12.441 -21.9991 13.4007 -19.772 6.24462 29.5282 11.4694 31.36 29.3971 TIMING: 1386800 CPU: 4404.62, 0.00318928/step Wall: 4404.62, 0.00318928/step, 3.20097 hours remaining, 236.925781 MB of memory in use. ENERGY: 1386800 4035.2733 20389.2323 14486.4132 261.8778 -203582.5441 2688.3719 0.0000 0.0000 51930.5590 -109790.8166 298.4456 -161721.3757 -109430.8784 298.4656 135.1409 170.9490 758648.7625 7.7373 7.7336 PRESSURE: 1387000 187.914 -110.198 143.574 -110.198 -126.793 280.697 143.574 280.696 390.317 GPRESSURE: 1387000 151.891 45.1542 89.5871 -269.409 -67.8431 264.098 171.846 285.15 450.04 PRESSAVG: 1387000 -47.7554 21.7936 0.494505 21.7936 67.5678 45.9138 0.49455 45.9138 -27.3639 GPRESSAVG: 1387000 -47.6843 21.4313 1.24265 21.9022 67.4618 45.4211 0.916533 45.2557 -26.9944 TIMING: 1387000 CPU: 4405.26, 0.00317804/step Wall: 4405.26, 0.00317804/step, 3.18951 hours remaining, 236.925781 MB of memory in use. ENERGY: 1387000 4037.3662 20494.7717 14438.2394 235.3701 -203580.6499 2556.9357 0.0000 0.0000 52069.5082 -109748.4586 299.2442 -161817.9668 -109389.1834 299.0608 150.4792 178.0293 758380.4221 -2.5172 -2.4056 PRESSURE: 1387200 -229.011 -122.216 21.783 -122.216 -122.865 -414.647 21.784 -414.647 -62.1764 GPRESSURE: 1387200 -290.709 -97.178 70.305 -116.606 26.9133 -431.322 27.7727 -170.119 -69.4655 PRESSAVG: 1387200 -33.4626 -42.6388 -5.11029 -42.6388 37.1345 -47.4066 -5.11029 -47.4066 -36.6459 GPRESSAVG: 1387200 -33.9056 -41.3571 -5.25817 -42.3418 37.1668 -47.7145 -3.65885 -47.1406 -36.2019 TIMING: 1387200 CPU: 4405.89, 0.00317582/step Wall: 4405.89, 0.00317582/step, 3.18711 hours remaining, 236.925781 MB of memory in use. ENERGY: 1387200 4037.0878 20461.7263 14497.8120 238.3092 -203273.9035 2213.2386 0.0000 0.0000 51974.1916 -109851.5379 298.6964 -161825.7296 -109482.8556 299.1141 -138.0175 -111.0870 760367.7825 -10.9914 -10.9802 PRESSURE: 1387400 -118.77 130.873 -124.322 130.873 215.496 -296.869 -124.322 -296.87 275.454 GPRESSURE: 1387400 -66.0869 120.605 -39.9466 137.235 285.077 -280.496 44.471 -168.814 258.172 PRESSAVG: 1387400 3.46887 -27.0808 -25.6106 -27.0808 -68.7701 -65.8399 -25.6106 -65.84 6.81745 GPRESSAVG: 1387400 3.21826 -28.2724 -24.8932 -27.663 -68.116 -64.9976 -25.4874 -65.406 6.38471 TIMING: 1387400 CPU: 4406.53, 0.00318804/step Wall: 4406.53, 0.00318804/step, 3.1992 hours remaining, 236.925781 MB of memory in use. ENERGY: 1387400 3935.0366 20466.4994 14458.3346 233.2784 -203626.7556 2601.8322 0.0000 0.0000 51998.3158 -109933.4586 298.8350 -161931.7744 -109563.0276 298.9925 124.0600 159.0540 759873.9619 -19.4946 -19.5044 PRESSURE: 1387600 -71.4058 -33.1342 206.569 -33.1341 207.993 -110.062 206.57 -110.063 8.7203 GPRESSURE: 1387600 88.05 16.5429 198.165 -94.0407 206.804 -101.238 140.292 -115.475 -43.7965 PRESSAVG: 1387600 32.6545 -62.1304 14.4245 -62.1304 -30.039 -14.7918 14.4245 -14.7918 -19.7547 GPRESSAVG: 1387600 32.5958 -61.0032 12.3706 -63.9217 -31.1179 -15.2093 14.1867 -16.1723 -18.7349 TIMING: 1387600 CPU: 4407.17, 0.00321394/step Wall: 4407.17, 0.00321394/step, 3.22501 hours remaining, 236.925781 MB of memory in use. ENERGY: 1387600 4011.8907 20639.5423 14483.6974 255.0128 -203634.1961 2530.1010 0.0000 0.0000 51591.3564 -110122.5955 296.4962 -161713.9519 -109770.2047 297.9616 48.4357 83.6857 759298.9693 -5.7131 -5.7523 PRESSURE: 1387800 157.103 -265.333 -14.7741 -265.333 -228.745 -71.3351 -14.7737 -71.3354 250.864 GPRESSURE: 1387800 244.635 -200.525 32.1093 -329.846 -240.341 -182.694 12.4837 29.4253 251.255 PRESSAVG: 1387800 8.28754 14.0442 16.3966 14.0442 -29.3201 -1.62024 16.3966 -1.62033 -23.8091 GPRESSAVG: 1387800 9.64303 12.8724 17.3725 15.1433 -30.2202 -1.44001 14.8594 -1.12895 -24.227 TIMING: 1387800 CPU: 4407.82, 0.00321911/step Wall: 4407.82, 0.00321911/step, 3.23002 hours remaining, 236.925781 MB of memory in use. ENERGY: 1387800 3976.3014 20679.9354 14403.3603 245.9590 -204025.2957 2690.2026 0.0000 0.0000 51921.9818 -110107.5551 298.3963 -162029.5369 -109756.2472 298.0908 59.7407 85.1829 758591.2019 -14.9472 -14.9347 PRESSURE: 1388000 -318.363 -32.2463 -184.277 -32.2465 -364.223 -57.6414 -184.278 -57.6402 -283.722 GPRESSURE: 1388000 -332.33 -73.421 -150.059 4.04308 -305.075 -47.2952 -182.074 -16.2164 -249.76 PRESSAVG: 1388000 73.7252 14.617 34.0877 14.617 -46.6064 -33.8092 34.0877 -33.8091 18.2099 GPRESSAVG: 1388000 73.3624 14.8731 33.5183 16.2392 -45.5592 -33.3978 37.0959 -34.3435 16.8875 TIMING: 1388000 CPU: 4408.46, 0.00324485/step Wall: 4408.46, 0.00324485/step, 3.25567 hours remaining, 236.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1388000 3990.3230 20391.6876 14494.3539 232.4493 -203548.1564 2393.7308 0.0000 0.0000 52162.7217 -109882.8901 299.7799 -162045.6118 -109514.3678 298.2539 -322.1025 -295.7217 760204.8399 15.1096 14.8969 PRESSURE: 1388200 177.179 -145.929 196.992 -145.929 -68.3493 70.4201 196.993 70.4204 165.91 GPRESSURE: 1388200 233.965 -136.206 200.276 -163.779 -59.3662 62.5628 89.8844 -44.4692 175.479 PRESSAVG: 1388200 32.5887 -43.4621 36.0985 -43.462 -28.8838 -24.9896 36.0984 -24.9896 -1.91887 GPRESSAVG: 1388200 32.2117 -40.0915 37.8523 -44.7703 -29.9327 -25.3 31.1702 -26.0237 -0.39943 TIMING: 1388200 CPU: 4409.12, 0.00326108/step Wall: 4409.12, 0.00326108/step, 3.27177 hours remaining, 236.925781 MB of memory in use. ENERGY: 1388200 4012.8706 20409.7492 14479.4640 241.2820 -203943.3412 2817.6018 0.0000 0.0000 51926.7094 -110055.6643 298.4235 -161982.3737 -109686.9926 298.8190 91.5798 116.6925 760628.4956 0.5953 0.6265 LDB: ============= START OF LOAD BALANCING ============== 4421.58 LDB: ============== END OF LOAD BALANCING =============== 4421.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4421.58 LDB: ============= START OF LOAD BALANCING ============== 4421.91 LDB: Largest compute 7059 load 0.037349 is 19.2% of average load 0.195023 LDB: Average compute 0.004405 is 2.3% of average load 0.195023 LDB: TIME 4421.91 LOAD: AVG 0.195023 MAX 0.214821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.781 MB LDB: TIME 4421.91 LOAD: AVG 0.195023 MAX 0.214821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: TIME 4421.91 LOAD: AVG 0.195023 MAX 0.214821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.875 MB LDB: ============== END OF LOAD BALANCING =============== 4421.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4421.92 PRESSURE: 1388400 -164.783 -42.0527 -3.28232 -42.0526 205.46 133.714 -3.28276 133.715 -113.467 GPRESSURE: 1388400 -165.429 100.714 3.79784 -30.6982 285.201 163.665 97.3434 75.7328 -105.15 PRESSAVG: 1388400 27.9332 -42.7852 37.0598 -42.7852 -30.9286 -56.2305 37.0599 -56.2305 -10.8067 GPRESSAVG: 1388400 27.5705 -46.283 35.9634 -42.8017 -29.2492 -54.5819 37.8701 -56.4457 -11.9126 TIMING: 1388400 CPU: 4409.79, 0.00334385/step Wall: 4409.79, 0.00334385/step, 3.35462 hours remaining, 238.980469 MB of memory in use. ENERGY: 1388400 4011.2702 20309.0613 14476.0898 238.9654 -203808.4387 2694.8208 0.0000 0.0000 52033.2097 -110045.0216 299.0356 -162078.2313 -109686.3091 298.3417 -24.2633 4.8741 759444.8860 -4.6007 -4.5304 PRESSURE: 1388600 -143.481 -16.5583 17.1904 -16.5579 -271.79 61.8606 17.1897 61.8601 -197.153 GPRESSURE: 1388600 -130.516 42.698 -23.4205 -30.1033 -224.481 70.7794 114.021 97.9911 -173.398 PRESSAVG: 1388600 12.3208 -8.59964 47.8361 -8.59969 -28.3771 7.88427 47.8361 7.88438 2.59699 GPRESSAVG: 1388600 12.3764 -8.09068 46.9388 -7.39181 -30.0692 6.455 51.4284 9.84277 3.84459 TIMING: 1388600 CPU: 4410.44, 0.00325705/step Wall: 4410.44, 0.00325705/step, 3.26736 hours remaining, 239.050781 MB of memory in use. ENERGY: 1388600 3992.4865 20520.2777 14469.1634 245.3627 -203435.4026 2188.9777 0.0000 0.0000 51981.9439 -110037.1907 298.7409 -162019.1346 -109681.6020 298.4955 -204.1412 -176.1316 760369.7136 -4.4864 -4.6161 PRESSURE: 1388800 -34.0898 6.48583 28.5218 6.48536 -57.0614 137.311 28.5224 137.311 76.6253 GPRESSURE: 1388800 56.3495 -17.3334 70.4345 15.8867 -68.6865 149.266 -38.7968 73.7258 84.0332 PRESSAVG: 1388800 -15.201 -25.5444 36.2514 -25.5443 28.7243 21.4593 36.2514 21.4593 2.55097 GPRESSAVG: 1388800 -14.5518 -23.6734 38.2168 -26.418 28.9933 21.1593 32.8729 21.3471 1.75066 TIMING: 1388800 CPU: 4411.08, 0.00322068/step Wall: 4411.08, 0.00322068/step, 3.2307 hours remaining, 239.050781 MB of memory in use. ENERGY: 1388800 3968.7383 20543.7781 14512.0176 263.6867 -203927.6724 2621.8330 0.0000 0.0000 51983.4087 -110034.2100 298.7494 -162017.6187 -109678.7715 298.6158 -4.8420 23.8987 759648.4064 5.3581 5.3974 PRESSURE: 1389000 137.853 -291.558 129.643 -291.557 138.316 -128.642 129.643 -128.643 141.4 GPRESSURE: 1389000 237.236 -263.67 69.3121 -327.176 183.263 -109.065 175.896 -23.2751 75.8388 PRESSAVG: 1389000 -39.3309 7.45308 2.57517 7.45311 -3.15346 26.079 2.57516 26.079 16.2146 GPRESSAVG: 1389000 -40.3047 7.18522 1.81095 6.31012 -2.08338 26.1416 5.03205 26.2434 15.8855 TIMING: 1389000 CPU: 4411.73, 0.00322623/step Wall: 4411.73, 0.00322623/step, 3.23609 hours remaining, 239.050781 MB of memory in use. ENERGY: 1389000 3987.3065 20458.9479 14444.0974 255.4909 -204027.0036 2903.1733 0.0000 0.0000 51833.5864 -110144.4011 297.8883 -161977.9875 -109783.6520 298.5540 139.1897 165.4459 760248.3116 -8.7566 -8.8342 PRESSURE: 1389200 -299.148 -91.6642 -247.177 -91.6637 -139.42 128.992 -247.177 128.993 -189.822 GPRESSURE: 1389200 -270.183 -100.465 -222.672 -155.247 -138.492 41.2569 -161.971 93.3645 -135.073 PRESSAVG: 1389200 29.2403 -56.7272 -13.178 -56.7271 -39.977 -24.5025 -13.178 -24.5024 -4.63201 GPRESSAVG: 1389200 28.9813 -57.5192 -14.306 -55.8892 -40.9326 -23.7274 -14.7533 -24.7466 -3.76138 TIMING: 1389200 CPU: 4412.37, 0.00319716/step Wall: 4412.37, 0.00319716/step, 3.20675 hours remaining, 239.050781 MB of memory in use. ENERGY: 1389200 4023.7299 20602.2940 14432.9613 251.3444 -203839.5830 2813.2615 0.0000 0.0000 51833.0769 -109882.9150 297.8854 -161715.9919 -109520.5388 298.5671 -209.4632 -181.2494 759813.7048 -5.1229 -5.2376 PRESSURE: 1389400 -61.4975 247.377 -343.483 247.377 -340.974 -77.4483 -343.483 -77.4486 -187.692 GPRESSURE: 1389400 -31.9899 219.315 -358.862 163.985 -282.118 -141.692 -246.395 -44.936 -189.339 PRESSAVG: 1389400 -17.8943 -40.4805 73.3608 -40.4805 16.7515 9.55493 73.3608 9.55491 -0.933089 GPRESSAVG: 1389400 -18.3662 -40.723 74.7371 -39.3527 17.0711 9.11797 73.2312 8.20805 -0.803306 TIMING: 1389400 CPU: 4413.01, 0.00320216/step Wall: 4413.01, 0.00320216/step, 3.21159 hours remaining, 239.050781 MB of memory in use. ENERGY: 1389400 4067.0276 20535.8801 14427.9828 249.7957 -203739.6359 2558.1422 0.0000 0.0000 51968.7040 -109932.1035 298.6649 -161900.8075 -109569.6911 298.5054 -196.7211 -167.8155 758725.7242 -0.6920 -0.6995 PRESSURE: 1389600 -67.9483 64.0562 -150.071 64.0553 -268.661 59.0077 -150.072 59.0072 56.9362 GPRESSURE: 1389600 -79.4671 164.06 -228.899 129.742 -270.485 67.4182 -162.385 -50.58 157.446 PRESSAVG: 1389600 78.7548 30.6337 -26.5543 30.6337 -70.7201 15.9317 -26.5543 15.9317 -20.8681 GPRESSAVG: 1389600 79.1399 30.7175 -26.755 30.7773 -71.5904 15.0555 -24.7434 15.6131 -19.9245 TIMING: 1389600 CPU: 4413.65, 0.00320368/step Wall: 4413.65, 0.00320368/step, 3.21293 hours remaining, 239.050781 MB of memory in use. ENERGY: 1389600 3967.7045 20573.8085 14539.7318 255.1286 -203304.9232 2356.4301 0.0000 0.0000 52244.6817 -109367.4380 300.2509 -161612.1197 -109003.1308 299.2967 -93.2242 -64.1688 761113.4397 -4.2778 -4.1250 PRESSURE: 1389800 -239.839 17.0408 -196.177 17.0399 373.824 1.01356 -196.177 1.01411 -340.94 GPRESSURE: 1389800 -202.503 5.76487 -299.954 64.5818 357.068 33.5884 -165.779 124.568 -268.245 PRESSAVG: 1389800 9.59268 22.4129 -1.70832 22.413 -17.7433 29.7538 -1.70828 29.7537 7.61038 GPRESSAVG: 1389800 9.09367 21.6944 -2.30932 21.7037 -16.9114 30.9454 -3.11531 30.6526 6.97654 TIMING: 1389800 CPU: 4414.29, 0.00320254/step Wall: 4414.29, 0.00320254/step, 3.21161 hours remaining, 239.050781 MB of memory in use. ENERGY: 1389800 4027.5564 20572.3540 14441.1303 246.4560 -203280.1727 2445.3946 0.0000 0.0000 52102.6136 -109444.6678 299.4344 -161547.2814 -109079.0748 300.1304 -68.9849 -37.8930 760088.0058 -0.1801 -0.2804 PRESSURE: 1390000 216.084 -121.782 129.891 -121.782 -27.5041 104.009 129.891 104.01 290.709 GPRESSURE: 1390000 207.477 -126.349 194.134 -60.9662 1.61128 121.504 95.6433 103.03 351.89 PRESSAVG: 1390000 5.62962 -70.8917 21.0718 -70.8918 -19.6776 2.79867 21.0718 2.79867 -3.24447 GPRESSAVG: 1390000 6.30577 -68.9168 21.3386 -71.8477 -19.8736 4.11439 22.2839 3.30196 -3.69075 TIMING: 1390000 CPU: 4414.93, 0.00319864/step Wall: 4414.93, 0.00319864/step, 3.20752 hours remaining, 239.050781 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: 1390000 3904.4477 20849.3968 14551.8615 244.5439 -203856.6778 2912.1148 0.0000 0.0000 52148.6979 -109245.6152 299.6993 -161394.3130 -108885.3562 299.7604 159.7629 186.9930 759327.6478 -5.7642 -5.7529 PRESSURE: 1390200 -101.998 -137.882 -58.297 -137.881 46.8123 89.7391 -58.2973 89.738 125.655 GPRESSURE: 1390200 -104.153 -79.1305 -40.7186 -90.0643 59.6837 70.0063 27.048 28.4717 194.396 PRESSAVG: 1390200 -10.7747 -31.9766 27.0226 -31.9765 12.272 2.19371 27.0226 2.19368 -3.52579 GPRESSAVG: 1390200 -10.9181 -32.352 27.2548 -29.2639 12.692 0.52057 27.4929 1.95976 -3.39351 TIMING: 1390200 CPU: 4415.57, 0.00319428/step Wall: 4415.57, 0.00319428/step, 3.20298 hours remaining, 239.050781 MB of memory in use. ENERGY: 1390200 3956.5398 20512.9653 14466.8490 248.2514 -203383.0231 2756.7151 0.0000 0.0000 52255.1254 -109186.5771 300.3109 -161441.7025 -108814.5272 300.0245 23.4898 49.9758 759914.7758 -0.6762 -0.5399 PRESSURE: 1390400 -95.7643 -137.73 -61.6139 -137.73 -53.7763 -67.6183 -61.6134 -67.6168 -334.937 GPRESSURE: 1390400 28.1606 -196.533 18.2509 -90.0104 -62.0971 -73.5271 -104.045 5.37693 -361.823 PRESSAVG: 1390400 16.4243 -57.747 -22.479 -57.7471 -16.6048 12.5312 -22.479 12.5311 14.7371 GPRESSAVG: 1390400 17.2117 -57.7844 -21.922 -57.8727 -17.47 12.9499 -24.3163 13.1375 14.8712 TIMING: 1390400 CPU: 4416.2, 0.00315994/step Wall: 4416.2, 0.00315994/step, 3.16837 hours remaining, 239.050781 MB of memory in use. ENERGY: 1390400 4022.9532 20508.3672 14484.9558 235.6550 -203339.4710 2539.0139 0.0000 0.0000 52217.3475 -109331.1783 300.0938 -161548.5258 -108975.3197 299.7825 -161.4925 -131.9197 762043.5361 4.8522 4.8710 PRESSURE: 1390600 -87.4362 2.81039 -229.299 2.81084 -31.717 -93.9504 -229.3 -93.9508 -182.158 GPRESSURE: 1390600 -101.635 96.0528 -255.419 -69.3355 40.4548 -147.921 -240.592 -34.0741 -143.929 PRESSAVG: 1390600 -62.3459 -61.3096 -33.4359 -61.3095 8.22276 -49.096 -33.436 -49.096 1.25372 GPRESSAVG: 1390600 -63.9735 -61.1528 -34.5797 -63.5539 9.06668 -47.9527 -34.8977 -49.7514 1.92641 TIMING: 1390600 CPU: 4416.84, 0.00319659/step Wall: 4416.84, 0.00319659/step, 3.20494 hours remaining, 239.050781 MB of memory in use. ENERGY: 1390600 3962.2253 20505.0522 14479.9917 242.6806 -203248.1430 2490.2164 0.0000 0.0000 52179.9821 -109387.9947 299.8791 -161567.9768 -109026.7853 299.3915 -100.4372 -68.3697 760510.9748 -17.6231 -17.6602 PRESSURE: 1390800 204.59 -79.8388 264.951 -79.8386 -100.718 45.4745 264.951 45.4741 31.7418 GPRESSURE: 1390800 182.469 -80.9921 304.765 -89.7789 30.3865 90.842 235.905 -81.9627 18.7101 PRESSAVG: 1390800 42.4739 -14.7043 0.760534 -14.7043 -38.6585 -24.2835 0.760508 -24.2834 23.7068 GPRESSAVG: 1390800 43.9745 -16.1389 0.176161 -13.4951 -39.2016 -24.7021 3.83217 -26.5141 22.5835 TIMING: 1390800 CPU: 4417.48, 0.00320003/step Wall: 4417.48, 0.00320003/step, 3.20821 hours remaining, 239.050781 MB of memory in use. ENERGY: 1390800 3938.8203 20602.7329 14461.7234 256.0829 -203033.5793 2441.3671 0.0000 0.0000 51922.7259 -109410.1268 298.4006 -161332.8527 -109052.0467 299.2513 45.2048 77.1886 761311.3783 9.1741 9.1188 PRESSURE: 1391000 31.3725 130.297 169.5 130.298 115.634 -50.864 169.5 -50.8638 -144.344 GPRESSURE: 1391000 141.47 177.835 164.669 92.5581 37.1812 -18.5783 170.281 -80.4161 -92.627 PRESSAVG: 1391000 49.7726 12.646 -3.98422 12.6461 -37.3333 -4.95872 -3.98429 -4.95876 9.58013 GPRESSAVG: 1391000 50.6635 11.689 -2.57925 11.3625 -38.9982 -3.46049 -4.82257 -3.43136 10.4525 TIMING: 1391000 CPU: 4418.11, 0.00319024/step Wall: 4418.11, 0.00319024/step, 3.19821 hours remaining, 239.050781 MB of memory in use. ENERGY: 1391000 4002.3341 20542.9614 14473.4994 235.4178 -203521.6245 2623.1568 0.0000 0.0000 52165.2220 -109479.0331 299.7942 -161644.2550 -109123.4494 299.2787 0.8876 28.6747 760349.5897 7.3398 7.3726 PRESSURE: 1391200 -159.907 76.8388 204.902 76.8394 -350.455 -303.318 204.902 -303.318 -238.243 GPRESSURE: 1391200 -141.111 -52.7522 257.029 47.8496 -384.953 -312.499 122.286 -305.355 -133.391 PRESSAVG: 1391200 19.7292 -4.82331 -2.11053 -4.82323 -40.0091 -9.32924 -2.11052 -9.32927 11.9639 GPRESSAVG: 1391200 21.2446 -2.37717 -2.11066 -4.7915 -39.7302 -10.6081 -3.80041 -9.29448 10.3791 TIMING: 1391200 CPU: 4418.75, 0.0031893/step Wall: 4418.75, 0.0031893/step, 3.19709 hours remaining, 239.050781 MB of memory in use. ENERGY: 1391200 4030.7588 20569.0922 14508.2476 244.8635 -203788.0238 2657.7621 0.0000 0.0000 52152.2783 -109625.0212 299.7199 -161777.2995 -109266.8019 299.2148 -249.5352 -219.8183 762301.8010 -2.7720 -2.7022 PRESSURE: 1391400 -93.7775 79.1916 -35.8262 79.1899 -230.344 -104.7 -35.8251 -104.699 -118.604 GPRESSURE: 1391400 -121.536 75.1178 0.821476 62.2982 -81.0476 -48.7966 -209.63 -64.4622 -174.069 PRESSAVG: 1391400 24.4263 -7.22304 -15.3067 -7.22306 -0.122382 -19.0379 -15.3068 -19.0378 -12.6327 GPRESSAVG: 1391400 22.3212 -10.6846 -14.0998 -4.69062 1.11042 -18.7784 -14.857 -20.7959 -11.7847 TIMING: 1391400 CPU: 4419.39, 0.00319127/step Wall: 4419.39, 0.00319127/step, 3.19889 hours remaining, 239.050781 MB of memory in use. ENERGY: 1391400 3907.7888 20573.2973 14474.3281 230.9555 -203328.8930 2661.1903 0.0000 0.0000 52012.9736 -109468.3595 298.9193 -161481.3330 -109103.6530 299.2459 -147.5753 -125.5509 762987.3490 3.8904 3.8823 PRESSURE: 1391600 -243.384 -34.3763 337.017 -34.3761 4.63178 -2.69149 337.018 -2.69078 89.8962 GPRESSURE: 1391600 -192.212 -4.68788 279.73 -38.2952 94.4575 -164.236 295.771 153.119 42.0427 PRESSAVG: 1391600 1.4499 -18.6627 40.3538 -18.6627 -17.9622 19.6375 40.3538 19.6375 -10.9816 GPRESSAVG: 1391600 0.948068 -16.4456 38.6888 -19.1586 -16.6636 17.7413 40.9927 22.1048 -11.1017 TIMING: 1391600 CPU: 4420.03, 0.00320446/step Wall: 4420.03, 0.00320446/step, 3.21194 hours remaining, 239.050781 MB of memory in use. ENERGY: 1391600 3947.8391 20565.2116 14473.1428 247.5986 -203028.5801 2303.1432 0.0000 0.0000 52029.1507 -109462.4941 299.0122 -161491.6448 -109105.2053 299.7424 -49.6185 -18.5708 761516.4523 -9.1646 -8.9391 PRESSURE: 1391800 428.996 -94.7312 -74.1107 -94.7309 73.5814 2.55659 -74.1109 2.55519 171.614 GPRESSURE: 1391800 462.135 -89.1043 -70.8549 -194.757 149.547 -81.1542 96.4678 77.232 135.984 PRESSAVG: 1391800 -27.9751 -69.0376 33.2059 -69.0376 -9.9864 -21.5619 33.206 -21.5619 7.46307 GPRESSAVG: 1391800 -26.1745 -68.8731 34.9665 -68.7961 -11.8084 -20.4097 34.7718 -21.2806 7.68448 TIMING: 1391800 CPU: 4420.67, 0.00318246/step Wall: 4420.67, 0.00318246/step, 3.18971 hours remaining, 239.050781 MB of memory in use. ENERGY: 1391800 3953.1632 20611.7209 14453.6109 265.5900 -203778.6647 2850.3851 0.0000 0.0000 52314.9126 -109329.2819 300.6545 -161644.1946 -108961.5778 299.2132 224.7305 249.2217 760239.7194 -10.1662 -10.0995 PRESSURE: 1392000 91.1904 -133.596 15.9713 -133.596 -51.2891 276.923 15.9722 276.923 375.449 GPRESSURE: 1392000 71.2679 -99.934 28.564 -117.002 -14.1222 356.806 -111.703 317.451 458.555 PRESSAVG: 1392000 33.9007 -3.57153 3.74835 -3.57146 -38.6117 -32.2675 3.74841 -32.2675 -5.41934 GPRESSAVG: 1392000 32.7098 -2.48216 4.01766 -4.09438 -36.6786 -31.6766 1.95137 -33.1765 -5.56085 TIMING: 1392000 CPU: 4421.3, 0.00318023/step Wall: 4421.3, 0.00318023/step, 3.1873 hours remaining, 239.050781 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: 1392000 3969.8780 20531.3178 14524.5800 242.0414 -203553.5191 2710.8939 0.0000 0.0000 52166.2915 -109408.5164 299.8004 -161574.8079 -109038.2361 299.7251 138.4501 171.9003 760827.0593 -3.3768 -3.1765 PRESSURE: 1392200 -743.211 -301.17 89.7044 -301.169 -201.032 158.937 89.7049 158.936 -53.5576 GPRESSURE: 1392200 -619.903 -246.362 30.6957 -295.306 -185.332 86.5217 142.591 187.8 -104.711 PRESSAVG: 1392200 -5.58742 2.99878 -1.00713 2.99883 -4.02876 -2.92704 -1.00711 -2.9271 4.46975 GPRESSAVG: 1392200 -5.53021 4.53624 -4.51807 3.18599 -4.42107 -3.45284 -0.902183 -3.07739 4.89073 TIMING: 1392200 CPU: 4421.94, 0.00319698/step Wall: 4421.94, 0.00319698/step, 3.2039 hours remaining, 239.050781 MB of memory in use. ENERGY: 1392200 4101.8544 20341.9784 14459.9781 241.2600 -202841.2832 2066.6905 0.0000 0.0000 52141.6380 -109487.8838 299.6587 -161629.5218 -109121.9383 299.7950 -332.6001 -303.3152 760625.4683 -1.7155 -1.6869 LDB: ============= START OF LOAD BALANCING ============== 4434.4 LDB: ============== END OF LOAD BALANCING =============== 4434.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4434.4 LDB: ============= START OF LOAD BALANCING ============== 4434.72 LDB: Largest compute 7032 load 0.038691 is 19.8% of average load 0.195061 LDB: Average compute 0.004422 is 2.3% of average load 0.195061 LDB: TIME 4434.73 LOAD: AVG 0.195061 MAX 0.21756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.465 MB LDB: TIME 4434.73 LOAD: AVG 0.195061 MAX 0.21756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: TIME 4434.73 LOAD: AVG 0.195061 MAX 0.21756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.469 MB LDB: ============== END OF LOAD BALANCING =============== 4434.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4434.73 PRESSURE: 1392400 354.106 -10.0916 -169.316 -10.0908 412.794 21.1775 -169.315 21.1786 -260.839 GPRESSURE: 1392400 324.436 -70.5533 -101.829 -124.739 362.999 -8.92593 -75.8434 2.39618 -106.193 PRESSAVG: 1392400 -2.67509 13.4723 -33.2281 13.4723 -12.4396 -28.8028 -33.2281 -28.8028 -11.8945 GPRESSAVG: 1392400 -3.69079 10.4195 -29.6495 13.7092 -12.4033 -30.1176 -34.3082 -28.9841 -11.2275 TIMING: 1392400 CPU: 4422.6, 0.003269/step Wall: 4422.6, 0.003269/step, 3.2759 hours remaining, 238.519531 MB of memory in use. ENERGY: 1392400 3912.2413 20450.8345 14434.7958 251.3766 -203579.7865 2701.6528 0.0000 0.0000 52371.7351 -109457.1504 300.9811 -161828.8856 -109083.6164 299.4352 168.6870 193.7475 760504.0378 -9.0031 -9.1072 PRESSURE: 1392600 -110.763 -138.202 -61.1501 -138.202 -177.296 -208.763 -61.1502 -208.762 -384.513 GPRESSURE: 1392600 -123.169 -27.162 -28.6765 -135.229 -125.246 -190.927 -47.5686 -223.87 -345.356 PRESSAVG: 1392600 29.8356 27.1311 27.4596 27.131 -43.8791 8.54333 27.4595 8.54338 27.7191 GPRESSAVG: 1392600 28.7865 28.4141 25.8325 25.8832 -43.0209 9.12571 30.3944 6.84105 27.6734 TIMING: 1392600 CPU: 4423.24, 0.00320502/step Wall: 4423.24, 0.00320502/step, 3.21161 hours remaining, 238.664062 MB of memory in use. ENERGY: 1392600 4121.7650 20409.0425 14470.5499 233.1421 -203161.1850 2506.0797 0.0000 0.0000 51866.6680 -109553.9377 298.0785 -161420.6057 -109187.3198 299.5633 -224.1907 -197.9237 759901.6263 4.5585 4.4797 PRESSURE: 1392800 37.5857 -126.729 28.8309 -126.729 31.8433 221.472 28.8309 221.471 -471.334 GPRESSURE: 1392800 41.7346 -167.351 69.5743 -62.1478 107.52 203.359 -84.2409 169.863 -474.852 PRESSAVG: 1392800 -7.71523 -26.8724 14.5488 -26.8724 7.18517 5.99185 14.5488 5.99187 4.0181 GPRESSAVG: 1392800 -5.30916 -28.2646 15.1175 -25.5011 6.27344 7.47072 12.0391 7.99315 2.93519 TIMING: 1392800 CPU: 4423.88, 0.00318312/step Wall: 4423.88, 0.00318312/step, 3.18948 hours remaining, 238.664062 MB of memory in use. ENERGY: 1392800 4019.6990 20546.4800 14521.8251 274.2205 -203552.0053 2601.9686 0.0000 0.0000 52115.0236 -109472.7884 299.5058 -161587.8121 -109112.8095 299.0314 -133.9685 -108.5324 761980.2848 1.1627 1.2998 PRESSURE: 1393000 92.4786 7.90562 -50.3423 7.90464 -58.5576 -39.1174 -50.3419 -39.1165 439.318 GPRESSURE: 1393000 95.8893 3.02239 -63.9369 -15.5462 37.7966 -36.5877 -29.9562 -134.73 443.814 PRESSAVG: 1393000 10.7901 -13.0736 -2.4301 -13.0736 -41.0416 -26.3581 -2.43011 -26.3582 2.38417 GPRESSAVG: 1393000 10.9744 -13.6393 -1.76222 -13.0561 -41.0978 -27.123 -2.23237 -27.303 1.99436 TIMING: 1393000 CPU: 4424.51, 0.00318386/step Wall: 4424.51, 0.00318386/step, 3.19006 hours remaining, 238.664062 MB of memory in use. ENERGY: 1393000 4021.5900 20406.8653 14477.5108 243.0710 -203382.7733 2657.4344 0.0000 0.0000 52055.6995 -109520.6023 299.1648 -161576.3018 -109153.6466 299.9427 157.7463 192.4999 759446.7298 -9.2891 -9.3764 PRESSURE: 1393200 -40.9402 -110.811 -93.2787 -110.811 -52.5039 -40.86 -93.2783 -40.8592 198.416 GPRESSURE: 1393200 -104.357 -44.7216 -8.33115 -81.6807 49.215 -23.3497 -114.713 -67.9616 225.014 PRESSAVG: 1393200 73.369 -17.736 -28.905 -17.7359 -19.7527 -113.051 -28.9049 -113.051 13.103 GPRESSAVG: 1393200 72.3655 -15.8975 -29.5395 -19.6755 -19.8947 -112.642 -28.1573 -112.975 14.6338 TIMING: 1393200 CPU: 4425.14, 0.0031626/step Wall: 4425.14, 0.0031626/step, 3.16858 hours remaining, 238.664062 MB of memory in use. ENERGY: 1393200 3865.2355 20611.3658 14393.8748 242.4446 -203011.7019 2467.6178 0.0000 0.0000 52051.3920 -109379.7715 299.1401 -161431.1635 -109021.8725 299.3878 34.9908 56.6240 758999.7014 22.2398 22.3682 PRESSURE: 1393400 196.902 -119.27 -71.3005 -119.27 -25.4266 -65.9118 -71.3 -65.9123 -67.4724 GPRESSURE: 1393400 198.996 -94.1751 -126.438 -231.297 -7.62295 -92.3021 -24.1189 -85.4006 9.74479 PRESSAVG: 1393400 5.45307 -67.3728 -62.6701 -67.3728 32.2771 -39.9011 -62.67 -39.9011 15.5762 GPRESSAVG: 1393400 4.29234 -65.8962 -62.3944 -67.1272 33.1818 -41.6298 -62.0134 -38.0917 16.0065 TIMING: 1393400 CPU: 4425.78, 0.00318824/step Wall: 4425.78, 0.00318824/step, 3.19409 hours remaining, 238.664062 MB of memory in use. ENERGY: 1393400 4028.7767 20610.3153 14485.0255 237.4605 -203183.3235 2421.9396 0.0000 0.0000 52091.1388 -109308.6671 299.3685 -161399.8059 -108945.2513 299.7955 34.6676 67.0391 758480.0526 17.7688 17.8269 PRESSURE: 1393600 429.709 -133.556 53.2989 -133.557 92.1243 47.1596 53.299 47.1608 136.294 GPRESSURE: 1393600 509.235 -39.7627 -0.273051 -209.026 115.505 -3.62064 62.865 -34.2152 138.999 PRESSAVG: 1393600 -2.03041 -20.455 8.84251 -20.455 -24.7487 -21.2926 8.84256 -21.2925 29.4241 GPRESSAVG: 1393600 -0.216374 -21.3259 8.00359 -18.3764 -25.3681 -21.8931 6.42027 -22.235 28.5902 TIMING: 1393600 CPU: 4426.42, 0.00318141/step Wall: 4426.42, 0.00318141/step, 3.18706 hours remaining, 238.664062 MB of memory in use. ENERGY: 1393600 3999.6338 20380.2306 14483.4507 209.2524 -203039.1450 2635.0334 0.0000 0.0000 51916.1114 -109415.4327 298.3626 -161331.5440 -109051.9015 299.3987 219.3758 254.5798 760750.7708 0.8816 1.0019 PRESSURE: 1393800 -210.572 78.0544 -126.295 78.0554 -283.235 -54.0502 -126.294 -54.0493 -94.0483 GPRESSURE: 1393800 -130.74 42.6867 -97.8652 37.4627 -253.569 -99.2512 -25.2511 128.638 -128.134 PRESSAVG: 1393800 7.30216 -15.4969 -11.2208 -15.4969 -14.4096 -26.4079 -11.2208 -26.4079 -6.71404 GPRESSAVG: 1393800 7.74252 -16.1363 -9.10532 -17.331 -14.6934 -24.7577 -9.65078 -26.9448 -6.18256 TIMING: 1393800 CPU: 4427.06, 0.00321879/step Wall: 4427.06, 0.00321879/step, 3.22433 hours remaining, 238.664062 MB of memory in use. ENERGY: 1393800 3974.3423 20495.5886 14423.3622 233.0711 -202856.9194 2247.8394 0.0000 0.0000 52057.3629 -109425.3530 299.1744 -161482.7159 -109065.1138 298.9268 -195.9516 -170.8143 761422.4941 -4.6072 -4.3778 PRESSURE: 1394000 99.5937 5.22345 -207.635 5.22406 -47.8695 -112.886 -207.634 -112.887 -264.444 GPRESSURE: 1394000 27.1149 -123.583 -296.767 4.61188 25.7584 -69.2178 -213.377 -13.0022 -188.632 PRESSAVG: 1394000 -42.3644 18.8904 -43.9525 18.8904 28.0802 -54.2216 -43.9525 -54.2216 -8.13337 GPRESSAVG: 1394000 -41.8372 16.986 -46.8569 20.5287 27.2223 -53.0976 -43.435 -54.9894 -8.342 TIMING: 1394000 CPU: 4427.7, 0.00320335/step Wall: 4427.7, 0.00320335/step, 3.20869 hours remaining, 238.664062 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: 1394000 4013.5557 20475.6929 14401.5310 223.0374 -203089.6380 2537.6761 0.0000 0.0000 51944.6417 -109493.5030 298.5266 -161438.1448 -109141.2671 298.7715 -70.9065 -45.2529 759380.8015 -7.4725 -7.6523 PRESSURE: 1394200 -55.0547 76.5071 41.1231 76.5065 -75.8146 -21.7809 41.1225 -21.7799 -309.855 GPRESSURE: 1394200 -0.211347 -15.232 43.6708 138.62 -109.891 -97.5472 12.4125 2.73358 -238.366 PRESSAVG: 1394200 33.3357 -12.3181 -25.0828 -12.3182 -13.5317 -37.4875 -25.0828 -37.4874 8.01702 GPRESSAVG: 1394200 32.1256 -10.7868 -24.9324 -12.9034 -14.2216 -40.2102 -23.7836 -34.3635 8.95643 TIMING: 1394200 CPU: 4428.34, 0.00318477/step Wall: 4428.34, 0.00318477/step, 3.1899 hours remaining, 238.664062 MB of memory in use. ENERGY: 1394200 3917.0978 20419.6949 14550.7842 245.2762 -203313.2366 2541.2566 0.0000 0.0000 52056.0661 -109583.0608 299.1669 -161639.1269 -109215.2548 299.2697 -146.9081 -116.1559 761245.0035 9.2737 8.9535 PRESSURE: 1394400 -502.353 51.3321 -76.5412 51.3326 -38.6457 85.3468 -76.5404 85.3469 162.803 GPRESSURE: 1394400 -405.279 29.3021 -33.815 41.3469 31.1495 74.22 -31.8758 228.858 103.489 PRESSAVG: 1394400 -20.1387 -16.617 -25.2865 -16.617 -26.5008 -57.7533 -25.2865 -57.7533 4.41827 GPRESSAVG: 1394400 -20.0662 -16.2199 -24.6899 -18.0341 -25.5498 -58.4975 -27.5427 -58.1839 2.79691 TIMING: 1394400 CPU: 4428.98, 0.00321566/step Wall: 4428.98, 0.00321566/step, 3.22066 hours remaining, 238.664062 MB of memory in use. ENERGY: 1394400 3909.0767 20365.2536 14620.6337 256.6649 -203067.3412 2522.7172 0.0000 0.0000 51862.9654 -109530.0297 298.0572 -161392.9951 -109171.1511 298.4601 -126.0651 -90.2137 761200.8724 -14.0737 -14.2730 PRESSURE: 1394600 -251.833 -187.998 -0.504452 -187.999 -431.443 27.6512 -0.504801 27.6523 -17.4789 GPRESSURE: 1394600 -266.068 -148.983 -114.844 -147.553 -393.025 -59.5232 -55.0424 -14.9404 59.1814 PRESSAVG: 1394600 -36.8297 -5.95014 -16.3502 -5.95015 22.823 -24.9996 -16.3503 -24.9995 14.2416 GPRESSAVG: 1394600 -36.584 -6.17993 -16.2112 -4.17592 23.256 -23.8995 -15.0812 -26.5099 13.474 TIMING: 1394600 CPU: 4429.63, 0.00322776/step Wall: 4429.63, 0.00322776/step, 3.23261 hours remaining, 238.664062 MB of memory in use. ENERGY: 1394600 4125.4892 20376.5278 14490.1226 236.7381 -202902.8480 2220.6071 0.0000 0.0000 51850.7166 -109602.6466 297.9868 -161453.3631 -109232.6219 298.7535 -233.5851 -199.9706 761771.7791 0.0783 0.0487 PRESSURE: 1394800 -305.162 74.8726 -111.926 74.8731 -85.0014 99.813 -111.926 99.8132 129.034 GPRESSURE: 1394800 -254.97 166.108 -153.906 101.694 -74.1225 149.379 -80.681 199.23 121.388 PRESSAVG: 1394800 30.4938 -39.0299 -54.7199 -39.0299 -15.4319 7.45004 -54.7199 7.45007 -6.05111 GPRESSAVG: 1394800 31.0767 -40.5086 -55.0534 -39.6882 -15.981 8.52309 -56.2246 9.67696 -6.55054 TIMING: 1394800 CPU: 4430.27, 0.00321688/step Wall: 4430.27, 0.00321688/step, 3.22152 hours remaining, 238.664062 MB of memory in use. ENERGY: 1394800 4003.5526 20455.4878 14439.4959 253.0147 -203498.9170 2741.2791 0.0000 0.0000 51913.6936 -109692.3933 298.3487 -161606.0869 -109334.5820 298.2981 -87.0430 -69.2350 761947.4074 3.0036 2.8484 PRESSURE: 1395000 67.3222 53.9774 -305.03 53.9773 -324.493 122.78 -305.031 122.78 -85.1293 GPRESSURE: 1395000 62.0687 67.6087 -281.545 28.2343 -269.999 38.8438 -229.454 77.0484 -57.6569 PRESSAVG: 1395000 -7.86795 -64.7091 -50.0701 -64.7091 3.27153 -9.45688 -50.0702 -9.45683 27.1535 GPRESSAVG: 1395000 -9.20873 -65.0358 -48.4482 -64.8247 4.22106 -9.36691 -48.8455 -11.4341 27.395 TIMING: 1395000 CPU: 4430.92, 0.00322237/step Wall: 4430.92, 0.00322237/step, 3.22684 hours remaining, 238.664062 MB of memory in use. ENERGY: 1395000 4023.5151 20479.1090 14455.8386 272.5671 -203199.5414 2491.9284 0.0000 0.0000 51976.8524 -109499.7309 298.7117 -161476.5832 -109141.4750 298.6828 -114.1000 -88.5290 761003.7595 7.5190 7.4691 PRESSURE: 1395200 17.7526 48.9693 -35.5393 48.9691 -172.344 204.943 -35.5394 204.942 -237.457 GPRESSURE: 1395200 115.852 93.8351 -36.2428 47.4175 -105.661 243.22 -13.4575 139.035 -281.487 PRESSAVG: 1395200 87.0062 -47.6722 -42.4619 -47.6722 -72.0349 27.6257 -42.4619 27.6258 -48.8606 GPRESSAVG: 1395200 87.2148 -45.5975 -44.2146 -47.9616 -72.5539 27.6953 -41.4312 28.4091 -48.4705 TIMING: 1395200 CPU: 4431.56, 0.00321407/step Wall: 4431.56, 0.00321407/step, 3.21836 hours remaining, 238.664062 MB of memory in use. ENERGY: 1395200 4076.2495 20503.1030 14452.7048 243.9511 -203248.5506 2523.2949 0.0000 0.0000 51793.3521 -109655.8953 297.6571 -161449.2474 -109287.9912 298.8314 -130.6827 -90.4320 759842.1602 -11.2964 -11.2699 PRESSURE: 1395400 187.56 -110.982 98.0377 -110.981 194.151 27.073 98.0383 27.0727 480.295 GPRESSURE: 1395400 220.313 -109.797 93.9533 -161.727 269.402 48.3094 35.8824 101.248 473.886 PRESSAVG: 1395400 78.3158 1.94367 -102.227 1.94366 -76.3292 -29.6343 -102.227 -29.6343 -3.66463 GPRESSAVG: 1395400 79.0247 0.0935167 -100.783 1.05354 -76.424 -28.9058 -104.785 -27.7006 -3.72573 TIMING: 1395400 CPU: 4432.2, 0.0031974/step Wall: 4432.2, 0.0031974/step, 3.20149 hours remaining, 238.664062 MB of memory in use. ENERGY: 1395400 3943.9818 20411.1550 14417.2123 240.1952 -203521.7650 2563.9694 0.0000 0.0000 51989.8159 -109955.4353 298.7862 -161945.2513 -109599.3192 299.0641 287.3350 321.2004 760390.1389 -0.5593 -0.3750 PRESSURE: 1395600 -400.409 3.76085 130.658 3.76132 -495.702 178.822 130.657 178.821 -306.972 GPRESSURE: 1395600 -331.804 26.5318 187.281 152.332 -401.503 126.495 -23.3962 112.072 -381.962 PRESSAVG: 1395600 58.5934 -64.4436 -15.0195 -64.4436 -37.8351 11.2072 -15.0195 11.2072 8.2322 GPRESSAVG: 1395600 58.599 -64.8363 -15.5965 -62.9827 -38.1674 11.0261 -15.135 7.81518 7.7959 TIMING: 1395600 CPU: 4432.84, 0.00323035/step Wall: 4432.84, 0.00323035/step, 3.2343 hours remaining, 238.664062 MB of memory in use. ENERGY: 1395600 4010.6299 20600.1375 14444.5837 249.6745 -203433.1063 2349.4020 0.0000 0.0000 52044.0279 -109734.6508 299.0977 -161778.6787 -109370.5608 298.5517 -401.0275 -371.7563 761298.3145 9.6635 9.4092 PRESSURE: 1395800 230.867 -146.878 288.606 -146.877 96.0002 61.5779 288.606 61.5774 -77.7662 GPRESSURE: 1395800 185.936 -89.8727 283.087 -187.327 133.74 131.636 144.867 4.13752 23.5219 PRESSAVG: 1395800 20.4165 -21.21 -16.0551 -21.21 -5.54945 10.6996 -16.0551 10.6995 16.9392 GPRESSAVG: 1395800 19.6952 -21.8361 -18.6258 -21.6941 -5.26086 9.74924 -16.1436 12.1909 17.2133 TIMING: 1395800 CPU: 4433.49, 0.00320619/step Wall: 4433.49, 0.00320619/step, 3.20993 hours remaining, 238.664062 MB of memory in use. ENERGY: 1395800 3986.5384 20646.6399 14415.2138 253.8412 -203409.1898 2535.8520 0.0000 0.0000 52038.6024 -109532.5021 299.0666 -161571.1044 -109180.3320 299.1941 83.0338 114.3991 760041.7661 10.6021 10.5492 PRESSURE: 1396000 -568.252 25.677 -122.423 25.6768 -116.967 -138.723 -122.422 -138.722 -126.177 GPRESSURE: 1396000 -518.268 -19.2299 -95.7077 -16.4382 -43.8176 -192.714 -30.9691 -120.049 -145.787 PRESSAVG: 1396000 12.675 -12.3341 38.9138 -12.334 -6.40445 -8.59398 38.9139 -8.59401 -31.9906 GPRESSAVG: 1396000 12.6853 -10.1221 41.2002 -13.9986 -8.24926 -9.36408 38.3213 -8.41768 -29.6299 TIMING: 1396000 CPU: 4434.13, 0.0032175/step Wall: 4434.13, 0.0032175/step, 3.22107 hours remaining, 238.664062 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: 1396000 4048.7312 20507.1218 14430.7885 234.8788 -203453.1124 2477.3988 0.0000 0.0000 52460.9780 -109293.2153 301.4940 -161754.1933 -108928.1447 299.7655 -270.4654 -235.9573 760435.3196 -8.5733 -8.3980 PRESSURE: 1396200 713.1 198.767 -40.0225 198.767 -49.4612 -38.4649 -40.0228 -38.4646 -146.657 GPRESSURE: 1396200 703.891 231.971 -24.0903 283.491 10.1454 -11.0718 -18.809 19.5588 -104.571 PRESSAVG: 1396200 16.8713 -40.006 -40.2562 -40.0061 25.7386 -40.9772 -40.2563 -40.9772 4.94397 GPRESSAVG: 1396200 16.4343 -38.7474 -39.9372 -39.9413 27.6151 -38.1559 -39.3105 -40.1273 3.51818 TIMING: 1396200 CPU: 4434.77, 0.0032087/step Wall: 4434.77, 0.0032087/step, 3.21209 hours remaining, 238.664062 MB of memory in use. ENERGY: 1396200 4007.1154 20714.8904 14432.4308 252.3002 -203673.4165 2686.1623 0.0000 0.0000 52282.3760 -109298.1415 300.4675 -161580.5175 -108933.1589 300.3266 172.3271 203.1550 759936.0339 15.8513 15.8558 LDB: ============= START OF LOAD BALANCING ============== 4447.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4447.23 LDB: =============== DONE WITH MIGRATION ================ 4447.23 LDB: ============= START OF LOAD BALANCING ============== 4447.55 LDB: Largest compute 7059 load 0.037809 is 19.4% of average load 0.195019 LDB: Average compute 0.004424 is 2.3% of average load 0.195019 LDB: TIME 4447.56 LOAD: AVG 0.195019 MAX 0.212431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.508 MB LDB: TIME 4447.56 LOAD: AVG 0.195019 MAX 0.212431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.512 MB LDB: TIME 4447.56 LOAD: AVG 0.195019 MAX 0.212431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.512 MB LDB: ============== END OF LOAD BALANCING =============== 4447.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4447.56 PRESSURE: 1396400 2.1439 53.9648 -94.9836 53.9643 -166.838 -79.7277 -94.9832 -79.7274 521.916 GPRESSURE: 1396400 56.3153 59.5537 -79.0699 78.8218 -152.449 -184.852 -99.1125 -79.5232 527.715 PRESSAVG: 1396400 22.9006 -32.6211 16.7422 -32.6211 -0.0701131 -0.786054 16.7422 -0.78609 -16.5454 GPRESSAVG: 1396400 23.1145 -33.7096 16.4186 -32.9678 -0.410213 -1.56723 16.2643 -1.67093 -16.8219 TIMING: 1396400 CPU: 4435.43, 0.00328411/step Wall: 4435.43, 0.00328411/step, 3.28739 hours remaining, 237.179688 MB of memory in use. ENERGY: 1396400 3971.7997 20539.7725 14485.8853 243.7387 -203445.4185 2644.3649 0.0000 0.0000 51971.2722 -109588.5853 298.6796 -161559.8575 -109225.1202 299.7930 119.0739 143.8603 760325.7798 2.0950 1.9608 PRESSURE: 1396600 248.084 -166.393 81.7732 -166.393 38.2875 12.3854 81.7749 12.385 503.783 GPRESSURE: 1396600 327.498 -222.909 101.973 -73.4252 67.522 17.7982 93.7531 22.1999 480.008 PRESSAVG: 1396600 34.6791 -43.0525 -6.57056 -43.0525 -46.298 -0.374302 -6.5706 -0.374244 -1.52985 GPRESSAVG: 1396600 35.4144 -43.9718 -7.23392 -39.1488 -46.5194 0.912965 -8.70842 -0.774468 -2.06325 TIMING: 1396600 CPU: 4436.06, 0.00317959/step Wall: 4436.06, 0.00317959/step, 3.1826 hours remaining, 237.179688 MB of memory in use. ENERGY: 1396600 3891.1725 20384.3298 14396.9558 232.3117 -203495.9240 2644.2772 0.0000 0.0000 52239.4216 -109707.4554 300.2207 -161946.8770 -109333.7936 299.0717 263.3848 291.6761 760736.0364 -4.3829 -4.3894 PRESSURE: 1396800 -521.739 15.3532 -8.92056 15.3541 -27.5335 -65.6082 -8.92003 -65.6081 -31.8994 GPRESSURE: 1396800 -394.619 -86.8238 -79.9027 -21.0926 -31.7205 -66.7135 37.3356 2.05465 -70.1633 PRESSAVG: 1396800 -4.22355 -51.7388 38.9192 -51.7388 -15.6484 -47.6812 38.9192 -47.6812 17.8468 GPRESSAVG: 1396800 -3.36386 -52.3733 38.6296 -55.5178 -15.8811 -48.5619 41.6383 -46.4897 17.5593 TIMING: 1396800 CPU: 4436.71, 0.00320901/step Wall: 4436.71, 0.00320901/step, 3.21187 hours remaining, 237.179688 MB of memory in use. ENERGY: 1396800 3976.9425 20420.3955 14461.2848 250.4565 -203302.0333 2341.1993 0.0000 0.0000 52217.9244 -109633.8303 300.0971 -161851.7548 -109274.0192 299.4109 -193.7238 -165.5011 760560.1656 -0.6750 -0.5619 PRESSURE: 1397000 -129.775 -34.7294 -63.2377 -34.7294 19.2481 300.58 -63.2369 300.579 -58.9062 GPRESSURE: 1397000 -116.16 -66.0061 -135.711 -59.2039 81.1228 266.065 -44.3888 268.056 -59.3956 PRESSAVG: 1397000 17.668 7.05938 -10.161 7.05939 4.66748 -9.20569 -10.161 -9.20569 -30.7401 GPRESSAVG: 1397000 16.9298 6.0494 -9.13096 9.325 5.47771 -9.41388 -11.9325 -10.9206 -30.7505 TIMING: 1397000 CPU: 4437.34, 0.00318931/step Wall: 4437.34, 0.00318931/step, 3.19196 hours remaining, 237.179688 MB of memory in use. ENERGY: 1397000 4006.6075 20306.2936 14495.1552 244.0086 -203115.4410 2335.2342 0.0000 0.0000 52182.5192 -109545.6227 299.8937 -161728.1418 -109179.6681 299.2133 -56.4777 -31.4777 760273.9986 -2.8016 -2.7810 PRESSURE: 1397200 5.2288 119.985 -91.9371 119.986 -85.8353 2.43734 -91.9381 2.43687 -465.723 GPRESSURE: 1397200 -43.7455 147.987 -100.028 101.149 18.6561 16.4052 -41.8946 118.473 -429.387 PRESSAVG: 1397200 -31.7455 -33.2632 -20.9625 -33.2632 -11.4023 -62.302 -20.9626 -62.302 24.0459 GPRESSAVG: 1397200 -32.1563 -30.5508 -20.6582 -33.9071 -11.828 -62.2795 -19.6412 -61.8263 25.195 TIMING: 1397200 CPU: 4437.98, 0.00319008/step Wall: 4437.98, 0.00319008/step, 3.19256 hours remaining, 237.179688 MB of memory in use. ENERGY: 1397200 3998.8653 20449.2717 14516.0159 269.5409 -203189.3291 2227.9806 0.0000 0.0000 52121.1091 -109606.5455 299.5407 -161727.6546 -109254.0817 298.9790 -182.1100 -151.4922 759369.8382 -6.3673 -6.2631 PRESSURE: 1397400 390.941 19.8258 68.0742 19.8264 22.1145 73.4769 68.0745 73.4778 -38.2347 GPRESSURE: 1397400 475.32 16.9612 88.0983 37.4684 56.5651 20.9396 155.182 51.3991 -68.1186 PRESSAVG: 1397400 -1.43426 0.00894751 -38.8468 0.00899578 11.7195 -48.1191 -38.8468 -48.119 -3.69032 GPRESSAVG: 1397400 -1.80508 -1.18189 -39.5773 0.653449 12.4065 -49.4873 -36.3377 -48.7743 -3.66794 TIMING: 1397400 CPU: 4438.62, 0.00317506/step Wall: 4438.62, 0.00317506/step, 3.17735 hours remaining, 237.179688 MB of memory in use. ENERGY: 1397400 3886.0860 20412.5472 14450.6780 233.0729 -203576.3881 2646.1256 0.0000 0.0000 52217.1814 -109730.6972 300.0929 -161947.8785 -109361.0706 299.2068 124.9404 154.5887 758737.2367 2.1983 2.3111 PRESSURE: 1397600 -329.564 222.607 68.644 222.606 167.206 78.0955 68.6436 78.0953 -432.947 GPRESSURE: 1397600 -284.296 121.207 60.2251 214.825 212.355 27.9068 46.6915 71.3455 -437.776 PRESSAVG: 1397600 -7.4059 38.1089 -4.42934 38.1089 29.6917 -12.7321 -4.4293 -12.7321 11.1771 GPRESSAVG: 1397600 -5.93612 37.2847 -5.86853 38.6689 28.5901 -12.1086 -7.43499 -11.8579 10.706 TIMING: 1397600 CPU: 4439.25, 0.00317673/step Wall: 4439.25, 0.00317673/step, 3.17885 hours remaining, 237.179688 MB of memory in use. ENERGY: 1397600 4012.7965 20374.4075 14534.3872 252.6574 -202959.9265 2300.7299 0.0000 0.0000 51925.9096 -109559.0384 298.4189 -161484.9480 -109206.3158 298.9427 -198.4351 -169.9057 762097.1453 11.1543 11.1200 PRESSURE: 1397800 -15.2485 -132.865 66.8224 -132.866 -91.0237 -18.8503 66.8226 -18.8505 270.296 GPRESSURE: 1397800 76.8035 -116.759 -47.3977 -182.585 -10.5259 38.756 199.815 -53.6711 188.251 PRESSAVG: 1397800 11.8492 24.2736 -25.254 24.2736 3.11392 -17.4879 -25.2541 -17.4879 -2.43711 GPRESSAVG: 1397800 11.0746 26.1912 -24.0824 24.1364 4.67879 -16.0655 -24.2753 -17.5664 -2.7832 TIMING: 1397800 CPU: 4439.89, 0.00318386/step Wall: 4439.89, 0.00318386/step, 3.18581 hours remaining, 237.179688 MB of memory in use. ENERGY: 1397800 4000.7411 20502.5733 14512.7752 268.5576 -202962.7311 2350.5779 0.0000 0.0000 51988.2306 -109339.2754 298.7771 -161327.5059 -108976.4796 299.3699 54.6745 84.8427 762265.8128 4.1753 4.3234 PRESSURE: 1398000 -348.76 -92.1867 104.139 -92.1865 -442.188 -36.0059 104.139 -36.0055 -519.565 GPRESSURE: 1398000 -338.381 19.0076 44.9914 -163.35 -363.555 -94.9555 1.00725 -22.819 -523 PRESSAVG: 1398000 6.48044 -11.3569 -22.9276 -11.3569 -14.5022 -6.77645 -22.9277 -6.77639 11.8664 GPRESSAVG: 1398000 6.26763 -10.4132 -22.6799 -13.7212 -14.6356 -7.98227 -23.0964 -6.97402 12.1455 TIMING: 1398000 CPU: 4440.52, 0.00317498/step Wall: 4440.52, 0.00317498/step, 3.17675 hours remaining, 237.179688 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: 1398000 4074.8783 20505.0276 14559.6658 258.2387 -202810.9120 2008.7468 0.0000 0.0000 52121.5250 -109282.8298 299.5431 -161404.3548 -108932.9501 299.7711 -436.8378 -408.3121 760856.3135 1.2815 1.2592 PRESSURE: 1398200 -59.1605 -48.3055 -34.9161 -48.3057 -179.083 85.3223 -34.9166 85.3219 114.701 GPRESSURE: 1398200 9.50776 -145.184 -49.4557 -95.2718 -156.347 177.045 24.5929 -16.4651 88.8456 PRESSAVG: 1398200 10.2045 3.11293 34.5404 3.11297 10.0132 4.60557 34.5403 4.60552 6.94689 GPRESSAVG: 1398200 12.217 1.15094 33.0029 4.79208 7.70662 4.79992 33.4628 3.74631 7.61327 TIMING: 1398200 CPU: 4441.16, 0.00318478/step Wall: 4441.16, 0.00318478/step, 3.18637 hours remaining, 237.179688 MB of memory in use. ENERGY: 1398200 3997.0444 20481.9721 14519.5733 238.8123 -203140.4171 2472.5035 0.0000 0.0000 51934.9961 -109495.5154 298.4711 -161430.5115 -109130.1879 299.5709 -41.1807 -19.3313 761269.4559 9.0549 9.1790 PRESSURE: 1398400 29.7765 -175.995 -30.3675 -175.996 244.687 57.1681 -30.3682 57.1668 -174.524 GPRESSURE: 1398400 -0.739005 -217.216 0.417492 -63.7616 247.15 33.5635 19.3617 76.2338 -56.3045 PRESSAVG: 1398400 -11.8954 -53.1205 -42.0156 -53.1205 7.90617 14.9001 -42.0156 14.9 6.12006 GPRESSAVG: 1398400 -13.3065 -54.5887 -42.2655 -51.9276 10.0246 15.704 -38.5428 14.6642 5.60604 TIMING: 1398400 CPU: 4441.8, 0.00318736/step Wall: 4441.8, 0.00318736/step, 3.18877 hours remaining, 237.179688 MB of memory in use. ENERGY: 1398400 4016.8885 20485.1314 14470.7451 243.8722 -203354.5951 2723.9389 0.0000 0.0000 51817.0426 -109596.9765 297.7933 -161414.0192 -109231.8301 299.3634 33.3134 63.3687 762264.8024 0.7103 0.7747 PRESSURE: 1398600 307.136 116.995 33.1538 116.994 69.1461 -111.056 33.1546 -111.059 -232.798 GPRESSURE: 1398600 350.917 92.806 38.84 59.442 96.2496 -119.957 -12.7333 -152.431 -213.11 PRESSAVG: 1398600 -12.0012 2.24711 11.4388 2.2471 3.93179 -43.8125 11.4388 -43.8125 -9.15354 GPRESSAVG: 1398600 -13.223 3.43695 12.2023 1.96538 4.332 -44.6951 7.64889 -43.484 -8.15477 TIMING: 1398600 CPU: 4442.44, 0.00318746/step Wall: 4442.44, 0.00318746/step, 3.1887 hours remaining, 237.179688 MB of memory in use. ENERGY: 1398600 3957.8895 20442.2252 14496.9082 257.0602 -203361.9527 2740.9009 0.0000 0.0000 51955.6314 -109511.3373 298.5897 -161466.9687 -109161.2813 299.0366 47.8281 78.0188 762224.0730 -5.7410 -5.6819 PRESSURE: 1398800 -293.614 -51.8042 -132.209 -51.804 -152.647 -223.123 -132.209 -223.122 -159.001 GPRESSURE: 1398800 -219.833 -70.3062 -205.353 34.5543 -163.618 -211.67 -37.891 -138.042 -138.666 PRESSAVG: 1398800 44.8793 -4.92455 17.5964 -4.92459 -49.6842 21.5953 17.5965 21.5953 -3.08302 GPRESSAVG: 1398800 46.8914 -3.28545 17.6162 -5.72086 -50.4848 21.731 21.1436 24.8781 -4.69407 TIMING: 1398800 CPU: 4443.07, 0.00316131/step Wall: 4443.07, 0.00316131/step, 3.16237 hours remaining, 237.179688 MB of memory in use. ENERGY: 1398800 3987.4721 20434.1255 14465.4586 247.6215 -203054.2477 2315.2338 0.0000 0.0000 51921.3897 -109682.9465 298.3929 -161604.3362 -109328.2767 299.3639 -201.7542 -174.0388 761810.3661 -2.6293 -2.7625 PRESSURE: 1399000 61.07 -15.6591 92.1414 -15.659 12.9735 47.5727 92.1408 47.5729 27.1025 GPRESSURE: 1399000 130.306 -74.4091 119.232 7.9488 49.4648 7.97574 3.83158 -29.1558 12.6827 PRESSAVG: 1399000 37.5905 -14.1207 9.13516 -14.1207 -79.4796 22.5678 9.13518 22.5679 -8.45825 GPRESSAVG: 1399000 37.3764 -14.6759 9.67604 -12.46 -78.6316 22.9571 4.9664 20.3973 -8.79506 TIMING: 1399000 CPU: 4443.7, 0.00317753/step Wall: 4443.7, 0.00317753/step, 3.17841 hours remaining, 237.179688 MB of memory in use. ENERGY: 1399000 3943.6950 20326.6410 14455.2105 246.4765 -203214.9317 2445.9304 0.0000 0.0000 52253.8426 -109543.1358 300.3036 -161796.9784 -109177.0021 299.1409 33.7153 64.1510 759092.1227 -16.7824 -16.6834 PRESSURE: 1399200 -119.752 -88.4162 124.382 -88.4166 31.2127 27.365 124.381 27.3646 -43.628 GPRESSURE: 1399200 28.9452 48.4268 152.861 -102.731 -88.129 25.6923 250.438 -13.5129 -5.16028 PRESSAVG: 1399200 23.6454 -2.58757 -23.0784 -2.58759 -35.8733 62.6178 -23.0785 62.6179 8.7741 GPRESSAVG: 1399200 23.4802 -1.82746 -23.137 -4.06215 -36.6778 64.4149 -22.7777 60.4214 9.84491 TIMING: 1399200 CPU: 4444.34, 0.00319905/step Wall: 4444.34, 0.00319905/step, 3.19976 hours remaining, 237.179688 MB of memory in use. ENERGY: 1399200 4011.9704 20504.4849 14460.4672 245.0226 -203391.1650 2518.9721 0.0000 0.0000 52165.2646 -109484.9833 299.7945 -161650.2479 -109123.5742 299.2310 -44.0557 -21.4480 760842.3693 -1.1513 -1.1176 PRESSURE: 1399400 520.308 -88.4353 74.7711 -88.4348 -108.887 -160.81 74.7709 -160.808 -81.715 GPRESSURE: 1399400 532.642 -10.1373 104.399 -148.255 -77.0023 -152.739 -3.58079 -175.704 -30.3613 PRESSAVG: 1399400 51.133 -16.0699 21.0426 -16.07 -54.1426 -18.2369 21.0426 -18.2369 -19.7345 GPRESSAVG: 1399400 51.5696 -16.7187 21.4598 -16.5342 -54.844 -19.4329 22.305 -16.1009 -19.8086 TIMING: 1399400 CPU: 4444.99, 0.00321319/step Wall: 4444.99, 0.00321319/step, 3.21373 hours remaining, 237.179688 MB of memory in use. ENERGY: 1399400 3963.8021 20314.3783 14470.0149 225.7569 -203313.9471 2610.0772 0.0000 0.0000 52249.7864 -109480.1312 300.2802 -161729.9177 -109114.3480 298.7727 109.9022 141.7593 761146.2152 -7.5813 -7.6944 PRESSURE: 1399600 -362.231 202.159 -59.48 202.158 47.0939 -7.74254 -59.4791 -7.74355 -340.414 GPRESSURE: 1399600 -364.813 235.432 -171.761 107.522 73.7356 -3.76316 62.7276 16.377 -267.144 PRESSAVG: 1399600 7.15414 4.86638 2.30446 4.86635 -17.9726 51.5114 2.30445 51.5114 3.18982 GPRESSAVG: 1399600 7.06006 5.9178 1.32177 4.3576 -18.675 51.8691 4.05802 49.4881 4.03522 TIMING: 1399600 CPU: 4445.62, 0.0031827/step Wall: 4445.62, 0.0031827/step, 3.18306 hours remaining, 237.179688 MB of memory in use. ENERGY: 1399600 4070.4666 20521.3532 14437.3241 245.9703 -202761.8673 2149.0778 0.0000 0.0000 51667.7442 -109669.9310 296.9352 -161337.6752 -109323.5046 298.8498 -218.5171 -186.0737 761676.5197 -2.5429 -2.5266 PRESSURE: 1399800 53.8089 25.4335 -19.5226 25.4339 -245.81 -77.5436 -19.5227 -77.5427 77.2289 GPRESSURE: 1399800 69.9734 33.5344 -121.281 109.258 -168.801 -61.042 -28.3372 25.9896 75.7015 PRESSAVG: 1399800 34.0335 1.49482 -14.9674 1.49477 -45.7005 -3.58663 -14.9674 -3.58657 -16.5688 GPRESSAVG: 1399800 34.624 1.61048 -16.0483 1.51854 -43.6884 -4.70562 -14.4214 -3.23746 -18.8439 TIMING: 1399800 CPU: 4446.26, 0.00317526/step Wall: 4446.26, 0.00317526/step, 3.17543 hours remaining, 237.179688 MB of memory in use. ENERGY: 1399800 3964.3567 20398.6022 14413.3142 245.9538 -203413.9460 2631.5188 0.0000 0.0000 52031.1222 -109729.0782 299.0236 -161760.2004 -109365.8854 299.0784 -38.2573 -7.7086 759938.4449 -9.4119 -9.3028 PRESSURE: 1400000 -107.68 45.8946 110.404 45.8954 154.066 234.831 110.406 234.831 44.9169 GPRESSURE: 1400000 -134.728 -1.4033 135.275 -1.80661 182.85 242.817 103.224 234.984 119.141 PRESSAVG: 1400000 20.1514 13.4116 -3.26161 13.4116 -22.4435 -2.1635 -3.26172 -2.16356 31.067 GPRESSAVG: 1400000 18.7173 11.4475 -1.03098 15.1289 -23.3748 -1.34424 -5.17925 -0.307684 33.3807 TIMING: 1400000 CPU: 4446.9, 0.00320847/step Wall: 4446.9, 0.00320847/step, 3.20847 hours remaining, 237.179688 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: 1400000 3993.9990 20235.5996 14484.9694 252.2635 -203558.9593 2557.7762 0.0000 0.0000 52236.7153 -109797.6362 300.2051 -162034.3516 -109427.1737 298.8393 30.4344 55.7547 759581.8970 9.5916 9.5744 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 -2.27588 13.2781 379.73 13.2781 -201.812 -3.67614 379.73 -3.67685 -0.449226 GPRESSURE: 1400200 77.162 -44.7254 295.324 121.007 -221.492 52.3236 330.563 102.001 43.14 PRESSAVG: 1400200 -5.12602 14.4949 28.2106 14.4949 24.6751 12.225 28.2105 12.2249 4.08019 GPRESSAVG: 1400200 -4.4593 15.8006 26.7402 14.6448 25.2951 12.1579 27.5213 12.1948 2.76905 TIMING: 1400200 CPU: 4452.01, 0.0255633/step Wall: 4452.01, 0.0255633/step, 25.5619 hours remaining, 237.179688 MB of memory in use. ENERGY: 1400200 4016.7062 20483.4118 14428.4375 247.4366 -203321.1220 2453.8438 0.0000 0.0000 51894.0299 -109797.2563 298.2357 -161691.2862 -109450.0991 298.5905 -68.1792 -33.7301 760856.6190 7.8764 7.8683 LDB: ============= START OF LOAD BALANCING ============== 4464.47 LDB: ============== END OF LOAD BALANCING =============== 4464.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4464.47 LDB: ============= START OF LOAD BALANCING ============== 4464.79 LDB: Largest compute 7059 load 0.037780 is 19.4% of average load 0.195166 LDB: Average compute 0.004424 is 2.3% of average load 0.195166 LDB: TIME 4464.79 LOAD: AVG 0.195166 MAX 0.213962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.469 MB LDB: TIME 4464.79 LOAD: AVG 0.195166 MAX 0.213962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.512 MB LDB: TIME 4464.79 LOAD: AVG 0.195166 MAX 0.213962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.512 MB LDB: ============== END OF LOAD BALANCING =============== 4464.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4464.8 PRESSURE: 1400400 -412.5 -203.216 162.707 -203.216 -120.91 -127.824 162.706 -127.824 -173.366 GPRESSURE: 1400400 -283.725 -169.962 161.692 -196.363 -193.738 -142.47 -18.7527 -294.25 -137.779 PRESSAVG: 1400400 5.28322 11.232 6.75604 11.232 -43.22 16.9096 6.75605 16.9096 11.5919 GPRESSAVG: 1400400 6.54551 11.347 8.32465 9.70963 -44.477 16.2914 6.49104 14.5914 11.6023 TIMING: 1400400 CPU: 4452.66, 0.00324654/step Wall: 4452.66, 0.00324654/step, 3.24618 hours remaining, 237.441406 MB of memory in use. ENERGY: 1400400 4023.1105 20344.8171 14450.5979 252.3942 -203041.3159 2236.6042 0.0000 0.0000 51825.6209 -109908.1711 297.8426 -161733.7920 -109553.4218 298.1712 -235.5920 -205.0807 760637.9088 -8.7816 -8.7764 PRESSURE: 1400600 670.42 104.881 -11.5433 104.881 370.14 -93.4766 -11.544 -93.4771 422.009 GPRESSURE: 1400600 723.385 60.2862 -16.231 173.018 414.846 -210.891 -46.1666 -179.316 405.219 PRESSAVG: 1400600 20.2777 -27.2506 10.7459 -27.2506 -31.5685 44.0366 10.7459 44.0366 18.0982 GPRESSAVG: 1400600 20.1002 -28.552 8.71645 -25.9583 -30.9031 44.54 13.3264 46.6359 17.6452 TIMING: 1400600 CPU: 4453.3, 0.00317957/step Wall: 4453.3, 0.00317957/step, 3.17904 hours remaining, 237.441406 MB of memory in use. ENERGY: 1400600 3960.9687 20421.0221 14468.1572 258.1807 -203387.9755 2794.2466 0.0000 0.0000 51670.2339 -109815.1664 296.9495 -161485.4002 -109458.0293 297.8483 487.5230 514.4833 760277.5472 2.2692 2.2808 PRESSURE: 1400800 -119.282 58.9034 101.41 58.9028 -69.8335 215.497 101.41 215.497 104.298 GPRESSURE: 1400800 -12.7647 116.769 63.3979 -31.6248 -95.6332 176.675 55.8204 69.5371 118.292 PRESSAVG: 1400800 31.1351 36.6491 0.702887 36.6492 -21.2 22.6944 0.702863 22.6945 22.7938 GPRESSAVG: 1400800 32.1021 38.7753 1.46738 34.1645 -21.6997 23.5806 -1.10969 21.8993 22.7435 TIMING: 1400800 CPU: 4453.93, 0.00318392/step Wall: 4453.93, 0.00318392/step, 3.18321 hours remaining, 237.441406 MB of memory in use. ENERGY: 1400800 3923.1637 20446.3245 14456.1897 253.4554 -202830.8644 2236.5361 0.0000 0.0000 51920.3194 -109594.8756 298.3868 -161515.1951 -109229.1974 298.3076 -28.2725 3.2982 760673.0806 10.9096 11.0486 PRESSURE: 1401000 -61.613 55.2107 134.289 55.2112 230.502 14.0756 134.289 14.0754 -185.299 GPRESSURE: 1401000 -32.7843 -7.55586 89.9199 46.1433 306.656 32.9551 244.726 -33.6155 -176.002 PRESSAVG: 1401000 50.5239 -20.6616 -8.46286 -20.6616 -12.6636 -31.4193 -8.46291 -31.4193 -1.69706 GPRESSAVG: 1401000 49.579 -19.4096 -6.35401 -20.9746 -12.3934 -33.5807 -8.43259 -31.4362 -0.932135 TIMING: 1401000 CPU: 4454.56, 0.0031551/step Wall: 4454.56, 0.0031551/step, 3.15423 hours remaining, 237.441406 MB of memory in use. ENERGY: 1401000 3965.0298 20344.2325 14441.8452 234.1899 -203201.3964 2474.5023 0.0000 0.0000 52030.1754 -109711.4213 299.0181 -161741.5967 -109351.4878 298.9025 -5.4699 32.6232 760463.1424 12.0544 12.0845 PRESSURE: 1401200 -214.999 89.2084 -138.042 89.2096 -131.903 -42.055 -138.043 -42.054 -144.904 GPRESSURE: 1401200 -89.5776 66.7272 -127.976 42.7938 -147.726 -97.2912 -127.789 1.75713 -166.435 PRESSAVG: 1401200 -12.6486 41.8016 21.2507 41.8016 6.61108 -12.1446 21.2507 -12.1447 -11.5402 GPRESSAVG: 1401200 -12.3923 40.7413 21.3314 42.4265 7.1698 -11.1588 21.1644 -9.65315 -12.2371 TIMING: 1401200 CPU: 4455.2, 0.00317578/step Wall: 4455.2, 0.00317578/step, 3.17472 hours remaining, 237.441406 MB of memory in use. ENERGY: 1401200 4083.2047 20504.6412 14505.8784 226.6589 -202922.6560 2019.9848 0.0000 0.0000 52030.5739 -109551.7141 299.0204 -161582.2880 -109192.0955 298.8717 -163.9355 -134.5796 759387.9636 -5.8592 -5.8199 PRESSURE: 1401400 -191.638 284.565 -152.41 284.565 237.84 -58.7871 -152.41 -58.7871 105.694 GPRESSURE: 1401400 19.8592 355.574 -267.182 194.923 126.832 -44.9745 -17.4464 30.8321 87.5922 PRESSAVG: 1401400 22.4785 -6.65229 -20.6022 -6.65227 -3.31262 -0.192874 -20.6023 -0.192826 16.2323 GPRESSAVG: 1401400 22.1735 -8.38187 -20.9195 -5.64625 -3.72562 -1.27736 -19.5418 -4.06415 16.8395 TIMING: 1401400 CPU: 4455.83, 0.00317015/step Wall: 4455.83, 0.00317015/step, 3.16892 hours remaining, 237.441406 MB of memory in use. ENERGY: 1401400 4036.0419 20585.6959 14486.2506 255.5442 -203465.9147 2623.3074 0.0000 0.0000 51906.9268 -109572.1478 298.3098 -161479.0746 -109221.3189 299.6422 50.6318 78.0945 759518.6087 11.7994 11.7625 PRESSURE: 1401600 222.058 -181.399 -40.3595 -181.4 -142.31 -133.661 -40.3602 -133.662 -10.3395 GPRESSURE: 1401600 281.529 -175.892 -25.4365 -185.448 -96.5011 -155.482 -85.479 -31.7388 -28.685 PRESSAVG: 1401600 32.0431 -10.825 57.3192 -10.825 -42.7726 34.086 57.3192 34.086 -1.28215 GPRESSAVG: 1401600 31.2207 -10.0518 56.0273 -9.46056 -42.1976 35.6454 56.9961 35.6871 -1.07565 TIMING: 1401600 CPU: 4456.47, 0.0031793/step Wall: 4456.47, 0.0031793/step, 3.17788 hours remaining, 237.441406 MB of memory in use. ENERGY: 1401600 3978.8470 20526.9992 14493.3144 257.0540 -203283.3732 2469.0028 0.0000 0.0000 52186.8911 -109371.2647 299.9188 -161558.1558 -109004.2285 299.4545 23.1361 52.1143 760739.2212 -4.0039 -4.0175 PRESSURE: 1401800 -136.857 -100.984 -81.9159 -100.984 37.8632 171.747 -81.916 171.747 -93.0462 GPRESSURE: 1401800 -62.0682 -134.299 -58.9999 -62.0372 50.5507 167.477 96.5784 8.57763 -87.4153 PRESSAVG: 1401800 45.7066 14.2219 -35.4238 14.2219 -14.9593 16.5797 -35.4237 16.5797 -4.13417 GPRESSAVG: 1401800 46.3338 13.3609 -33.5714 13.3 -14.0853 16.7831 -35.9032 16.7334 -4.71937 TIMING: 1401800 CPU: 4457.11, 0.00317797/step Wall: 4457.11, 0.00317797/step, 3.17638 hours remaining, 237.441406 MB of memory in use. ENERGY: 1401800 4052.6568 20227.5729 14449.0907 262.0646 -203384.7838 2857.0473 0.0000 0.0000 52051.3575 -109484.9939 299.1399 -161536.3514 -109117.7710 299.3412 -64.0135 -32.9776 761186.1295 8.8710 9.1764 PRESSURE: 1402000 35.0591 -58.8504 -336.678 -58.8514 -35.2158 -75.9839 -336.677 -75.9833 468.097 GPRESSURE: 1402000 117.541 -69.5554 -304.007 -180.854 -56.2783 -156.323 -279.094 42.9182 478.07 PRESSAVG: 1402000 -10.152 16.7116 2.35235 16.7116 -16.983 8.15202 2.35232 8.15195 1.55083 GPRESSAVG: 1402000 -8.5748 15.9773 2.34544 16.9666 -18.0795 7.54912 1.96146 7.80899 1.49633 TIMING: 1402000 CPU: 4457.75, 0.00320841/step Wall: 4457.75, 0.00320841/step, 3.20663 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1402000 3925.0435 20527.2098 14491.5590 235.6558 -203199.6649 2538.4518 0.0000 0.0000 52172.5907 -109309.1542 299.8366 -161481.7449 -108942.2975 299.1205 155.9801 179.7776 760744.4378 -8.5280 -8.3860 PRESSURE: 1402200 -340.126 263.416 -48.387 263.415 6.48208 -81.0903 -48.3875 -81.0901 -384.731 GPRESSURE: 1402200 -404.8 240.272 -45.5899 229.039 112.528 -59.5402 -99.589 -49.4546 -334.958 PRESSAVG: 1402200 24.6924 -14.5977 29.7252 -14.5977 -11.5496 -11.7001 29.7251 -11.7 13.0725 GPRESSAVG: 1402200 23.5982 -11.4469 27.6593 -14.2412 -11.1652 -11.8666 29.3115 -10.0072 13.8984 TIMING: 1402200 CPU: 4458.39, 0.00319613/step Wall: 4458.39, 0.00319613/step, 3.19417 hours remaining, 237.441406 MB of memory in use. ENERGY: 1402200 4028.3776 20497.3120 14481.0396 245.8899 -203084.3586 2345.2657 0.0000 0.0000 52103.1711 -109383.3027 299.4376 -161486.4738 -109014.2878 300.0125 -239.4584 -209.0767 761524.2134 8.7384 8.7771 PRESSURE: 1402400 -147.813 12.3008 -256.42 12.3009 14.8625 -34.8117 -256.42 -34.8113 -26.2056 GPRESSURE: 1402400 -17.0959 23.5233 -243.35 39.9651 26.4294 -75.1617 -157.807 79.7005 -82.0371 PRESSAVG: 1402400 -44.7265 -14.8419 -18.1986 -14.8419 17.6246 30.362 -18.1986 30.362 -10.6514 GPRESSAVG: 1402400 -45.3546 -16.7092 -17.7423 -16.1884 17.7871 31.335 -17.4851 28.9718 -10.7662 TIMING: 1402400 CPU: 4459.03, 0.00321792/step Wall: 4459.03, 0.00321792/step, 3.21577 hours remaining, 237.441406 MB of memory in use. ENERGY: 1402400 4034.4035 20409.9629 14490.0026 241.4833 -203255.7477 2592.9226 0.0000 0.0000 52280.2715 -109206.7015 300.4554 -161486.9729 -108848.2784 299.8057 -53.0519 -24.2345 760323.3275 -12.5845 -12.7779 PRESSURE: 1402600 270.522 -20.1558 -167.952 -20.156 236.188 124.001 -167.952 124.001 337.333 GPRESSURE: 1402600 321.407 -2.99889 -182.723 115.905 197.783 88.954 -244.212 80.342 402.688 PRESSAVG: 1402600 -11.597 9.22829 -32.5281 9.22831 41.4631 -25.6908 -32.5281 -25.6909 29.2645 GPRESSAVG: 1402600 -11.6473 8.90728 -31.4745 10.1727 41.9279 -28.1748 -33.0129 -23.673 28.7722 TIMING: 1402600 CPU: 4459.67, 0.00319138/step Wall: 4459.67, 0.00319138/step, 3.18907 hours remaining, 237.441406 MB of memory in use. ENERGY: 1402600 3900.3339 20474.5707 14510.2132 247.6434 -203043.9382 2646.0450 0.0000 0.0000 52224.2683 -109040.8638 300.1336 -161265.1321 -108678.5400 299.8166 281.3475 307.2926 760661.9858 19.7102 19.6843 PRESSURE: 1402800 260.958 -21.6517 42.8054 -21.6526 -84.4483 -107.831 42.8054 -107.83 -53.3472 GPRESSURE: 1402800 285.148 -33.6089 88.977 -133.648 -43.8187 -75.3 -4.6883 -24.9657 -30.545 PRESSAVG: 1402800 -29.5468 -37.7911 40.2939 -37.791 -0.996667 -45.0922 40.2938 -45.0923 -0.0714104 GPRESSAVG: 1402800 -29.2016 -37.6015 39.5513 -37.4575 -0.976467 -43.4381 40.6282 -46.6523 -0.487984 TIMING: 1402800 CPU: 4460.3, 0.00317911/step Wall: 4460.3, 0.00317911/step, 3.17664 hours remaining, 237.441406 MB of memory in use. ENERGY: 1402800 3978.8505 20488.3192 14469.5176 250.7285 -202839.4064 2402.3945 0.0000 0.0000 52233.2072 -109016.3890 300.1850 -161249.5961 -108656.1195 300.5684 41.0542 70.2613 761320.0146 -10.2050 -10.2220 PRESSURE: 1403000 14.5296 -73.771 -154.209 -73.77 90.8984 -38.6452 -154.209 -38.6447 -95.0736 GPRESSURE: 1403000 41.4322 -34.4455 -169.676 -84.75 186.376 -28.002 -109.698 -6.58938 -135.445 PRESSAVG: 1403000 -21.3879 -7.94026 52.2391 -7.94022 -7.25326 22.6775 52.2392 22.6775 8.80923 GPRESSAVG: 1403000 -23.0034 -5.87164 52.3417 -9.63676 -6.40514 22.4531 52.4275 22.1277 9.40911 TIMING: 1403000 CPU: 4460.94, 0.00316657/step Wall: 4460.94, 0.00316657/step, 3.16393 hours remaining, 237.441406 MB of memory in use. ENERGY: 1403000 3981.4691 20450.8733 14439.7044 248.4160 -202841.7044 2497.4574 0.0000 0.0000 52244.0515 -108979.7328 300.2473 -161223.7843 -108627.1221 300.4993 3.4515 30.7877 761000.0327 -6.6106 -6.6665 PRESSURE: 1403200 -152.885 81.7966 -148.612 81.7965 64.9236 -120.496 -148.612 -120.496 -365.275 GPRESSURE: 1403200 -46.8533 -107.291 -205.387 90.5023 63.9663 -69.5273 -167.558 -145.177 -363.062 PRESSAVG: 1403200 55.0642 -19.6458 16.92 -19.6458 -83.9636 44.3683 16.92 44.3682 1.55789 GPRESSAVG: 1403200 56.8168 -23.9543 17.0966 -17.0443 -85.606 44.7893 16.6943 44.7025 1.02773 TIMING: 1403200 CPU: 4461.57, 0.00316632/step Wall: 4461.57, 0.00316632/step, 3.16351 hours remaining, 237.441406 MB of memory in use. ENERGY: 1403200 4005.5495 20426.4419 14449.7182 231.8333 -202970.7875 2511.8548 0.0000 0.0000 52107.7080 -109237.6819 299.4637 -161345.3898 -108871.8163 300.1299 -151.0786 -115.3163 761637.9614 -9.1139 -9.2538 PRESSURE: 1403400 47.5132 -94.9015 -129.306 -94.9015 -88.122 -1.38976 -129.306 -1.38993 -104.703 GPRESSURE: 1403400 73.1508 -85.9577 -110.579 -31.2461 -19.1722 -68.1323 -76.5221 81.5595 -91.5397 PRESSAVG: 1403400 25.6709 -46.1875 -5.32917 -46.1875 -11.7772 7.82914 -5.32916 7.82902 -2.43738 GPRESSAVG: 1403400 23.9992 -44.5625 -5.50415 -47.0738 -11.7883 6.42953 -5.63252 9.01899 -1.51583 TIMING: 1403400 CPU: 4462.2, 0.00316539/step Wall: 4462.2, 0.00316539/step, 3.1624 hours remaining, 237.441406 MB of memory in use. ENERGY: 1403400 3995.6563 20464.5287 14414.9626 242.0985 -203024.5546 2405.3566 0.0000 0.0000 52332.4967 -109169.4552 300.7556 -161501.9519 -108800.6470 299.7483 -48.4374 -12.5204 760675.8933 3.8188 3.5650 PRESSURE: 1403600 -108.895 72.6273 109.307 72.6275 123.36 346.409 109.307 346.41 -61.7941 GPRESSURE: 1403600 -71.6435 170.005 5.11907 121.747 167.344 337.981 132.377 223.511 -70.7445 PRESSAVG: 1403600 23.7302 -11.0405 25.3397 -11.0405 3.55595 0.857061 25.3397 0.85715 -18.8604 GPRESSAVG: 1403600 24.4176 -11.8492 25.5291 -10.5993 3.04333 1.76931 26.1977 -0.50903 -18.9465 TIMING: 1403600 CPU: 4462.84, 0.00317572/step Wall: 4462.84, 0.00317572/step, 3.17254 hours remaining, 237.441406 MB of memory in use. ENERGY: 1403600 3913.0429 20443.5160 14402.8871 241.3085 -202440.4521 2292.8897 0.0000 0.0000 51786.3345 -109360.4734 297.6168 -161146.8080 -109002.0736 299.8112 -15.7764 8.3186 761705.6735 2.8086 2.8381 PRESSURE: 1403800 429.041 -140.763 285.136 -140.762 276.363 -37.3508 285.136 -37.3515 453.583 GPRESSURE: 1403800 515.737 -183.152 219.458 -228.554 234.237 -97.0985 305.921 104.526 502.894 PRESSAVG: 1403800 -3.90375 -97.3521 28.9893 -97.352 2.96348 -39.1401 28.9893 -39.14 -9.81662 GPRESSAVG: 1403800 -4.09822 -96.3384 28.2885 -96.571 3.05295 -39.0621 25.5624 -38.4621 -10.0234 TIMING: 1403800 CPU: 4463.47, 0.00315987/step Wall: 4463.47, 0.00315987/step, 3.15653 hours remaining, 237.441406 MB of memory in use. ENERGY: 1403800 3957.9580 20239.7808 14459.8008 256.3050 -203409.9528 2762.5141 0.0000 0.0000 52048.3720 -109685.2220 299.1227 -161733.5941 -109323.8351 298.3778 386.3289 417.6224 761233.1303 -3.5856 -3.6895 PRESSURE: 1404000 -356.991 29.6432 30.6512 29.6433 -150.658 -59.517 30.6512 -59.5183 281.82 GPRESSURE: 1404000 -228.396 -29.5267 -16.2663 77.6754 -91.8107 -30.5821 -32.5124 -113.289 184.813 PRESSAVG: 1404000 57.2767 -59.0806 -15.465 -59.0806 -20.1933 16.478 -15.465 16.478 7.71448 GPRESSAVG: 1404000 56.642 -60.1797 -14.5427 -60.6916 -18.5711 16.4182 -12.1784 15.5813 6.85492 TIMING: 1404000 CPU: 4464.11, 0.00318241/step Wall: 4464.11, 0.00318241/step, 3.17888 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1404000 3908.4108 20289.4601 14536.4486 225.4580 -203174.7570 2331.3795 0.0000 0.0000 52028.4699 -109855.1299 299.0083 -161883.5998 -109488.1785 298.5792 -75.2765 -45.1312 760306.9512 14.9326 14.9753 PRESSURE: 1404200 44.5865 104.717 179.455 104.717 -151.155 -153.194 179.455 -153.194 181.308 GPRESSURE: 1404200 110.102 124.237 154.318 137.844 -111.691 -75.7112 289.564 -53.6463 164.46 PRESSAVG: 1404200 -7.09224 -3.22456 -25.8357 -3.22458 11.4396 -68.9935 -25.8357 -68.9935 21.1905 GPRESSAVG: 1404200 -6.40184 0.627872 -25.9292 -5.53368 9.44958 -68.9958 -28.7905 -67.0871 22.0973 TIMING: 1404200 CPU: 4464.75, 0.00319788/step Wall: 4464.75, 0.00319788/step, 3.19415 hours remaining, 237.441406 MB of memory in use. ENERGY: 1404200 3903.2751 20353.8662 14482.2925 255.0050 -203136.6461 2353.4839 0.0000 0.0000 51868.5187 -109920.2048 298.0891 -161788.7235 -109568.0196 297.8322 24.9130 54.2906 760222.0229 8.5126 8.3817 LDB: ============= START OF LOAD BALANCING ============== 4477.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4477.2 LDB: =============== DONE WITH MIGRATION ================ 4477.2 LDB: ============= START OF LOAD BALANCING ============== 4477.52 LDB: Largest compute 7078 load 0.035528 is 18.2% of average load 0.195209 LDB: Average compute 0.004402 is 2.3% of average load 0.195209 LDB: TIME 4477.52 LOAD: AVG 0.195209 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.984 MB LDB: TIME 4477.53 LOAD: AVG 0.195209 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.078 MB LDB: TIME 4477.53 LOAD: AVG 0.195209 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.078 MB LDB: ============== END OF LOAD BALANCING =============== 4477.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4477.53 PRESSURE: 1404400 -29.786 -82.9842 -282.704 -82.9847 -56.8583 109.468 -282.704 109.468 -94.1574 GPRESSURE: 1404400 -106.946 1.34741 -311.399 -177.028 105.868 52.4657 -85.5637 137.908 -94.8072 PRESSAVG: 1404400 4.72093 9.3011 -6.73043 9.30111 0.71511 -50.1711 -6.7304 -50.1711 -10.7725 GPRESSAVG: 1404400 5.48001 6.07371 -6.08209 10.2858 1.43752 -49.5645 -4.05805 -51.0162 -12.2853 TIMING: 1404400 CPU: 4465.4, 0.00324549/step Wall: 4465.4, 0.00324549/step, 3.24152 hours remaining, 237.640625 MB of memory in use. ENERGY: 1404400 4000.3406 20276.5833 14498.0501 244.5345 -203376.8714 2522.6175 0.0000 0.0000 51936.0677 -109898.6778 298.4773 -161834.7455 -109542.0790 298.7835 -60.2672 -31.9616 758422.4956 -1.7788 -1.7893 PRESSURE: 1404600 -278.692 74.8871 95.2549 74.8871 50.1483 110.988 95.2546 110.987 120.235 GPRESSURE: 1404600 -205.87 144.737 158.538 69.1197 77.2677 83.5854 -23.0496 -2.1242 121.588 PRESSAVG: 1404600 -11.537 11.0913 -22.2898 11.0913 49.0068 -94.7776 -22.2898 -94.7776 -2.27398 GPRESSAVG: 1404600 -13.8182 12.7319 -23.3887 12.4387 49.1778 -95.4261 -21.5723 -94.2884 -0.578159 TIMING: 1404600 CPU: 4466.03, 0.00319295/step Wall: 4466.03, 0.00319295/step, 3.18887 hours remaining, 237.640625 MB of memory in use. ENERGY: 1404600 4042.6908 20311.6985 14415.6154 247.9489 -203291.9530 2424.6879 0.0000 0.0000 51949.0548 -109900.2567 298.5519 -161849.3115 -109546.3611 298.2924 -36.1028 -2.3381 759453.8608 11.7319 11.5938 PRESSURE: 1404800 220.035 -4.96431 -184.18 -4.96333 201.57 122.979 -184.181 122.978 47.712 GPRESSURE: 1404800 219.171 -8.22529 -159.866 -3.09024 296.792 111.375 -248.723 103.395 21.691 PRESSAVG: 1404800 -12.8881 -64.4096 14.8302 -64.4096 21.2347 -5.91677 14.8302 -5.91667 14.7353 GPRESSAVG: 1404800 -11.8503 -64.4546 15.2442 -63.9998 20.5501 -6.15918 12.7883 -8.55099 14.2396 TIMING: 1404800 CPU: 4466.68, 0.00320563/step Wall: 4466.68, 0.00320563/step, 3.20135 hours remaining, 237.640625 MB of memory in use. ENERGY: 1404800 4072.7212 20328.5094 14521.9083 256.2060 -203508.4372 2438.0524 0.0000 0.0000 51907.9481 -109983.0917 298.3157 -161891.0398 -109630.6537 297.9483 156.4391 179.2181 757828.4946 7.6940 7.6465 PRESSURE: 1405000 272.491 114.776 -198.873 114.776 -30.69 -382.522 -198.873 -382.523 -84.9679 GPRESSURE: 1405000 386.93 90.7599 -156.421 96.9566 -41.0909 -311.489 -114.039 -249.413 -113.12 PRESSAVG: 1405000 -17.8304 -10.0284 -5.49666 -10.0284 -5.28982 -6.84254 -5.49668 -6.84257 6.02973 GPRESSAVG: 1405000 -17.7119 -10.6562 -5.17714 -11.9623 -4.47576 -4.67391 -5.59923 -6.67693 5.23576 TIMING: 1405000 CPU: 4467.31, 0.00319259/step Wall: 4467.31, 0.00319259/step, 3.18815 hours remaining, 237.640625 MB of memory in use. ENERGY: 1405000 3955.5807 20483.1025 14561.5438 247.5651 -203435.9894 2589.4853 0.0000 0.0000 51959.4699 -109639.2422 298.6118 -161598.7121 -109284.3284 298.6487 52.2778 77.5731 759775.7142 -5.6968 -5.6506 PRESSURE: 1405200 22.724 -130.813 73.6424 -130.812 -142.636 -11.9757 73.6431 -11.9753 -141.702 GPRESSURE: 1405200 1.20547 -60.1108 30.9214 -33.8305 -39.0754 -42.5255 99.3406 0.270873 -133.308 PRESSAVG: 1405200 24.2396 21.8742 -45.6467 21.8741 -39.4865 -34.0124 -45.6467 -34.0125 11.1573 GPRESSAVG: 1405200 24.1651 22.9388 -45.9129 23.4625 -39.4799 -36.5659 -43.6317 -33.49 11.4543 TIMING: 1405200 CPU: 4467.95, 0.00320086/step Wall: 4467.95, 0.00320086/step, 3.19624 hours remaining, 237.640625 MB of memory in use. ENERGY: 1405200 3993.7232 20641.2878 14496.5296 245.0073 -203247.9519 2527.7210 0.0000 0.0000 51750.9155 -109592.7675 297.4132 -161343.6831 -109253.3112 299.1364 -87.2047 -57.0592 759623.4417 -1.3632 -1.2868 PRESSURE: 1405400 -129.565 -141.599 -41.1906 -141.599 -35.7329 -203.086 -41.1911 -203.086 518.583 GPRESSURE: 1405400 -75.7647 -214.911 37.6371 -117.389 18.7483 -302.779 -91.6224 -124.424 516.549 PRESSAVG: 1405400 -1.72482 -38.6753 -34.9612 -38.6753 26.686 57.2811 -34.9612 57.281 -1.68027 GPRESSAVG: 1405400 -3.19358 -37.2217 -36.9396 -38.0647 27.615 57.8728 -35.557 58.7535 -0.617031 TIMING: 1405400 CPU: 4468.59, 0.00318958/step Wall: 4468.59, 0.00318958/step, 3.18479 hours remaining, 237.640625 MB of memory in use. ENERGY: 1405400 4008.9083 20351.7199 14468.9634 256.2407 -203448.1168 2517.7778 0.0000 0.0000 52278.3606 -109566.1460 300.4445 -161844.5066 -109208.2122 298.7653 117.7619 153.1775 759314.7018 7.7603 7.9348 PRESSURE: 1405600 41.9805 211.605 -70.9573 211.604 -63.7859 320.263 -70.9573 320.264 -71.0189 GPRESSURE: 1405600 70.2616 57.4954 -175.942 229.508 -15.1462 314.031 47.4516 127.901 -61.5747 PRESSAVG: 1405600 -41.1878 -10.4881 -48.2733 -10.4881 13.2715 43.3211 -48.2733 43.3211 0.926094 GPRESSAVG: 1405600 -41.0477 -11.8097 -49.5849 -11.173 12.4671 42.5666 -46.1288 41.1504 1.18401 TIMING: 1405600 CPU: 4469.23, 0.00316881/step Wall: 4469.23, 0.00316881/step, 3.16388 hours remaining, 237.640625 MB of memory in use. ENERGY: 1405600 4032.5748 20535.7707 14491.4203 257.7405 -203053.9234 2493.5924 0.0000 0.0000 51851.7394 -109391.0854 297.9927 -161242.8247 -109032.8961 298.9617 -30.9414 -2.1531 761708.6465 -8.9967 -9.1322 PRESSURE: 1405800 159.691 71.3766 -33.7517 71.3765 -116.429 185.922 -33.7523 185.922 -347.211 GPRESSURE: 1405800 190.483 69.026 -40.5387 92.0491 -34.6386 233.634 -57.3407 116.024 -386.308 PRESSAVG: 1405800 21.5041 6.58218 -3.07 6.58216 -47.544 6.49467 -3.07003 6.49465 19.7122 GPRESSAVG: 1405800 22.0981 6.48241 -0.444337 5.98145 -47.6588 6.88186 -3.11956 7.61716 18.8276 TIMING: 1405800 CPU: 4469.86, 0.00317768/step Wall: 4469.86, 0.00317768/step, 3.17256 hours remaining, 237.640625 MB of memory in use. ENERGY: 1405800 3949.4656 20463.5032 14467.5766 233.7752 -202852.9065 2181.7066 0.0000 0.0000 52112.6382 -109444.2411 299.4920 -161556.8792 -109067.6793 298.8194 -101.3164 -76.8210 761876.8970 -2.1092 -2.2444 PRESSURE: 1406000 -6.21476 254.967 -135.99 254.967 -144.279 -235.99 -135.99 -235.989 -369.21 GPRESSURE: 1406000 26.8436 285.109 -150.697 174.981 -98.1484 -247.985 -114.658 -212.498 -363.406 PRESSAVG: 1406000 23.2029 -37.3121 -28.1252 -37.3121 27.1643 -21.8584 -28.1252 -21.8584 12.8947 GPRESSAVG: 1406000 25.3833 -36.0305 -27.1238 -38.6236 25.4626 -20.8253 -30.6641 -22.9166 12.964 TIMING: 1406000 CPU: 4470.5, 0.00320382/step Wall: 4470.5, 0.00320382/step, 3.19848 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1406000 3914.9510 20632.5085 14533.8853 254.5651 -203243.7977 2345.9851 0.0000 0.0000 52099.4363 -109462.4665 299.4162 -161561.9028 -109096.0473 299.3755 -173.2346 -144.9035 759170.2190 21.0873 21.2700 PRESSURE: 1406200 325.831 64.8449 -5.93581 64.8459 135.899 216.213 -5.9361 216.214 206.673 GPRESSURE: 1406200 372.383 -90.7291 -116.649 12.5534 171.635 313.728 51.5982 118.388 223.266 PRESSAVG: 1406200 44.323 38.5238 -45.6003 38.5238 -76.0929 -13.5797 -45.6003 -13.5797 -24.5999 GPRESSAVG: 1406200 43.026 36.3549 -47.5574 39.5558 -75.7841 -12.5017 -44.1983 -14.6707 -23.78 TIMING: 1406200 CPU: 4471.14, 0.00320958/step Wall: 4471.14, 0.00320958/step, 3.20405 hours remaining, 237.640625 MB of memory in use. ENERGY: 1406200 3915.2081 20289.0630 14426.0565 253.6306 -203191.5924 2501.1504 0.0000 0.0000 52178.1997 -109628.2841 299.8688 -161806.4838 -109251.7944 298.8883 222.8009 255.7611 760800.2885 -18.7900 -18.8460 PRESSURE: 1406400 233.926 91.4716 342.049 91.4715 264.349 -57.5041 342.049 -57.5037 -64.0577 GPRESSURE: 1406400 360.715 11.2739 293.976 79.1411 243.922 -98.6687 333.159 26.2733 -73.9448 PRESSAVG: 1406400 17.6075 -45.8297 18.5939 -45.8297 -23.5427 -49.2758 18.5938 -49.2758 -1.60839 GPRESSAVG: 1406400 18.5641 -45.5813 21.0529 -43.9683 -23.5757 -51.3239 16.6104 -46.311 -2.23023 TIMING: 1406400 CPU: 4471.78, 0.00317547/step Wall: 4471.78, 0.00317547/step, 3.16983 hours remaining, 237.640625 MB of memory in use. ENERGY: 1406400 3947.0338 20485.1950 14442.0890 242.5802 -203293.5221 2692.1534 0.0000 0.0000 51843.7893 -109640.6815 297.9470 -161484.4708 -109289.1307 298.6957 144.7389 176.8975 760005.7844 -2.5145 -2.4140 PRESSURE: 1406600 -86.4268 -53.0896 -33.5898 -53.0888 -171.037 -68.2151 -33.5897 -68.2151 146.65 GPRESSURE: 1406600 -62.2296 100.225 -79.1833 -167.399 -143.12 -72.9763 5.88406 -159.205 159.816 PRESSAVG: 1406600 -35.4051 10.207 34.2017 10.207 3.78285 -6.17315 34.2018 -6.17309 0.112192 GPRESSAVG: 1406600 -35.3571 10.0485 32.8452 9.58722 3.67806 -5.44145 34.4932 -6.95707 -0.128315 TIMING: 1406600 CPU: 4472.41, 0.00317078/step Wall: 4472.41, 0.00317079/step, 3.16497 hours remaining, 237.640625 MB of memory in use. ENERGY: 1406600 3968.5719 20504.2131 14520.9874 235.2684 -203096.6423 2336.3673 0.0000 0.0000 51884.1551 -109647.0791 298.1790 -161531.2342 -109279.1724 298.2829 -36.9378 -15.1778 759961.9567 -10.5034 -10.6025 PRESSURE: 1406800 -46.0473 176.384 -113.366 176.385 -175.038 151.191 -113.366 151.191 -29.6362 GPRESSURE: 1406800 19.673 17.9224 -114.89 183.422 -124.425 124.985 -145.389 300.146 -71.4281 PRESSAVG: 1406800 -8.36929 -15.6552 17.4722 -15.6552 -4.52226 55.5034 17.4721 55.5034 3.75772 GPRESSAVG: 1406800 -9.10526 -15.2334 15.5423 -16.3105 -3.61483 56.0255 19.3717 53.3432 3.52998 TIMING: 1406800 CPU: 4473.05, 0.00317589/step Wall: 4473.05, 0.00317589/step, 3.1699 hours remaining, 237.640625 MB of memory in use. ENERGY: 1406800 3974.0718 20641.3609 14463.1013 239.0425 -203209.3125 2457.2683 0.0000 0.0000 51938.7029 -109495.7649 298.4924 -161434.4678 -109134.8284 298.6813 -83.5738 -58.7268 759764.0927 -3.0446 -3.0634 PRESSURE: 1407000 244.812 200.239 83.4583 200.24 -330.237 -75.875 83.4579 -75.8747 -390.458 GPRESSURE: 1407000 274.361 235.577 102.085 148.806 -311.451 -100.786 125.041 -198.181 -355.88 PRESSAVG: 1407000 36.3496 9.15141 -0.29957 9.15142 -48.8643 -1.52466 -0.299578 -1.52461 1.62479 GPRESSAVG: 1407000 35.9373 10.63 1.70798 8.42769 -49.9908 -1.57581 -0.683628 -1.35971 2.7225 TIMING: 1407000 CPU: 4473.69, 0.00321068/step Wall: 4473.69, 0.00321068/step, 3.20444 hours remaining, 237.640625 MB of memory in use. ENERGY: 1407000 3989.4149 20385.6548 14412.7713 257.8632 -203164.7823 2557.6876 0.0000 0.0000 52124.9899 -109436.4006 299.5630 -161561.3905 -109067.5881 298.7330 -158.6278 -130.9901 761165.8928 -3.6300 -3.7770 PRESSURE: 1407200 -143.768 10.475 -64.1184 10.4746 118.963 -3.5965 -64.118 -3.59552 -177.94 GPRESSURE: 1407200 -8.29109 -81.8498 4.96 46.22 169.109 25.7852 -118.849 -89.8119 -282.705 PRESSAVG: 1407200 -7.4015 -52.673 -25.9646 -52.673 12.6193 -14.869 -25.9647 -14.869 1.58032 GPRESSAVG: 1407200 -6.45776 -55.6802 -25.8131 -51.3093 13.4047 -14.4228 -25.9064 -13.7066 -0.730793 TIMING: 1407200 CPU: 4474.33, 0.00318724/step Wall: 4474.33, 0.00318724/step, 3.18087 hours remaining, 237.640625 MB of memory in use. ENERGY: 1407200 3961.6208 20450.3576 14477.1276 251.8563 -203416.9593 2692.0645 0.0000 0.0000 52271.3903 -109312.5423 300.4044 -161583.9326 -108945.8617 299.2088 -67.5814 -40.6289 761293.3267 2.2660 2.0720 PRESSURE: 1407400 -61.7773 27.3212 -27.7243 27.321 29.2033 -133.756 -27.7233 -133.756 74.4618 GPRESSURE: 1407400 -27.9793 58.9871 6.30079 -38.4004 27.17 -174.697 21.882 -179.243 133.265 PRESSAVG: 1407400 -1.6146 -27.2194 -2.85942 -27.2195 -15.0389 -68.8566 -2.85937 -68.8566 -12.6523 GPRESSAVG: 1407400 -1.58324 -26.1593 -2.35525 -28.3161 -16.2587 -68.9659 -3.71169 -70.8786 -11.5682 TIMING: 1407400 CPU: 4474.97, 0.00318711/step Wall: 4474.97, 0.00318711/step, 3.18056 hours remaining, 237.640625 MB of memory in use. ENERGY: 1407400 3966.2105 20419.5272 14575.9258 247.0911 -203257.2478 2633.4808 0.0000 0.0000 52011.9480 -109403.0644 298.9134 -161415.0124 -109040.3843 299.8186 13.9626 44.1518 760817.6848 -9.7686 -9.8034 PRESSURE: 1407600 -277.57 -364.51 -34.5334 -364.51 -237.713 6.17934 -34.5344 6.179 -370.3 GPRESSURE: 1407600 -293.985 -363.293 -21.1774 -235.489 -158.045 -10.3101 -2.555 67.1579 -357.17 PRESSAVG: 1407600 27.1613 -22.4378 25.5951 -22.4377 -33.5764 -7.3067 25.595 -7.30665 10.942 GPRESSAVG: 1407600 26.6846 -21.6548 24.3507 -22.0855 -32.3731 -7.63369 26.9653 -5.7516 10.4847 TIMING: 1407600 CPU: 4475.6, 0.00317635/step Wall: 4475.6, 0.00317635/step, 3.16964 hours remaining, 237.640625 MB of memory in use. ENERGY: 1407600 4012.7694 20510.5676 14579.8082 247.9809 -203197.4691 2551.9604 0.0000 0.0000 51927.9987 -109366.3840 298.4309 -161294.3827 -109015.2703 299.5002 -295.1940 -269.7335 761645.1604 1.5090 1.5987 PRESSURE: 1407800 -122.066 -19.7524 155.843 -19.7535 -159.299 -85.2209 155.844 -85.2198 -201.703 GPRESSURE: 1407800 -132.225 3.67278 119.994 2.72437 -146.668 -3.62151 152.714 -113.854 -118.846 PRESSAVG: 1407800 -5.47841 -57.6367 46.5311 -57.6367 10.1456 20.9923 46.5311 20.9923 3.52262 GPRESSAVG: 1407800 -6.94313 -58.4759 46.188 -56.2231 12.0667 21.624 46.1853 21.8496 3.17188 TIMING: 1407800 CPU: 4476.24, 0.00320225/step Wall: 4476.24, 0.00320225/step, 3.19531 hours remaining, 237.640625 MB of memory in use. ENERGY: 1407800 4067.2053 20622.3559 14511.3104 254.5876 -203212.7266 2660.0462 0.0000 0.0000 52137.8601 -108959.3611 299.6370 -161097.2212 -108608.6772 300.0236 -161.0224 -132.5797 761873.9136 2.7299 2.7652 PRESSURE: 1408000 173.555 -120.969 74.2707 -120.97 -194.179 202.89 74.2701 202.89 -150.335 GPRESSURE: 1408000 175.216 -91.4316 104.342 -155.616 -169.706 169.49 95.3335 244.95 -81.396 PRESSAVG: 1408000 26.6941 -20.6799 90.4072 -20.6799 -43.4496 49.3263 90.4072 49.3262 -23.9376 GPRESSAVG: 1408000 28.9172 -18.0982 91.3032 -22.5568 -44.9882 49.5849 91.4423 49.4324 -23.9079 TIMING: 1408000 CPU: 4476.88, 0.00318311/step Wall: 4476.88, 0.00318311/step, 3.17604 hours remaining, 237.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1408000 4054.2569 20455.5669 14436.1419 263.7241 -203066.3354 2410.9470 0.0000 0.0000 52172.3483 -109273.3503 299.8352 -161445.6986 -108901.4333 299.9439 -56.9863 -25.2954 762063.4858 -13.5643 -13.3263 PRESSURE: 1408200 -301.426 -99.8321 94.2074 -99.833 11.3483 247.072 94.2072 247.073 -13.1487 GPRESSURE: 1408200 -205.145 -49.3716 217.44 20.5495 -120.212 286.712 10.4031 237.822 78.7453 PRESSAVG: 1408200 12.6388 -55.4924 32.3042 -55.4924 -49.6286 55.9286 32.3042 55.9286 23.3136 GPRESSAVG: 1408200 11.9251 -56.8346 31.8334 -55.0685 -49.6054 53.1364 30.6923 55.8202 23.148 TIMING: 1408200 CPU: 4477.51, 0.00316408/step Wall: 4477.51, 0.00316408/step, 3.15688 hours remaining, 237.640625 MB of memory in use. ENERGY: 1408200 3965.3863 20406.5992 14539.5214 229.6973 -203287.0254 2384.6288 0.0000 0.0000 52315.6759 -109445.5164 300.6589 -161761.1924 -109084.2046 299.3310 -101.0754 -82.2039 760390.6188 -4.5587 -4.8441 LDB: ============= START OF LOAD BALANCING ============== 4489.96 LDB: ============== END OF LOAD BALANCING =============== 4489.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4489.97 LDB: ============= START OF LOAD BALANCING ============== 4490.28 LDB: Largest compute 7032 load 0.035242 is 18.1% of average load 0.195089 LDB: Average compute 0.004426 is 2.3% of average load 0.195089 LDB: TIME 4490.29 LOAD: AVG 0.195089 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.18 MB LDB: TIME 4490.29 LOAD: AVG 0.195089 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: TIME 4490.29 LOAD: AVG 0.195089 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: ============== END OF LOAD BALANCING =============== 4490.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4490.3 PRESSURE: 1408400 -161.198 -112.532 -49.1609 -112.532 -71.0736 -3.33599 -49.1611 -3.33616 229.568 GPRESSURE: 1408400 -53.1401 47.5191 -59.7892 -148.585 -178.019 36.5867 92.0189 -110.834 307.91 PRESSAVG: 1408400 27.7688 1.40155 21.5914 1.40155 8.30055 24.0558 21.5913 24.0558 -1.49176 GPRESSAVG: 1408400 27.1557 1.73438 22.6359 1.06297 7.89319 25.9519 20.9719 25.2254 -0.0325979 TIMING: 1408400 CPU: 4478.16, 0.00324316/step Wall: 4478.16, 0.00324316/step, 3.2356 hours remaining, 236.667969 MB of memory in use. ENERGY: 1408400 3966.4045 20510.7182 14483.7608 231.6320 -203594.2395 2750.9207 0.0000 0.0000 52317.0756 -109333.7276 300.6670 -161650.8032 -108961.8557 299.9653 -0.9012 25.5838 759597.8188 11.5259 11.6721 PRESSURE: 1408600 101.623 116.094 -27.309 116.094 19.6841 24.3845 -27.3085 24.3831 233.714 GPRESSURE: 1408600 130.7 22.7264 -5.35687 141.706 63.7021 -16.6886 16.5091 42.7823 256.848 PRESSAVG: 1408600 20.4667 -8.99193 4.52506 -8.99191 -14.475 8.32962 4.52506 8.3296 4.85148 GPRESSAVG: 1408600 21.5261 -9.88959 4.27535 -7.97991 -14.3966 7.85396 6.29643 5.70455 3.49463 TIMING: 1408600 CPU: 4478.8, 0.00317793/step Wall: 4478.8, 0.00317793/step, 3.17034 hours remaining, 236.667969 MB of memory in use. ENERGY: 1408600 3991.4664 20596.2418 14538.3619 258.9024 -203419.3577 2550.4006 0.0000 0.0000 52120.1690 -109363.8156 299.5353 -161483.9845 -109007.9791 299.9874 118.3403 150.4165 759248.4865 3.6144 3.5414 PRESSURE: 1408800 -102.724 153.915 32.8318 153.916 212.491 -69.3243 32.8315 -69.3235 538.261 GPRESSURE: 1408800 -117.476 21.3715 -5.94237 184.792 326.905 -43.7125 25.578 12.0056 530.211 PRESSAVG: 1408800 51.4413 11.7973 -34.0861 11.7972 -43.9245 60.9601 -34.086 60.96 12.459 GPRESSAVG: 1408800 50.3689 11.0994 -33.7081 9.41396 -42.2739 62.0359 -36.8132 62.9839 12.4751 TIMING: 1408800 CPU: 4479.43, 0.00318301/step Wall: 4479.43, 0.00318301/step, 3.17523 hours remaining, 236.667969 MB of memory in use. ENERGY: 1408800 3970.4854 20566.8934 14384.9586 263.9010 -203671.1108 2760.3042 0.0000 0.0000 52316.8415 -109407.7267 300.6656 -161724.5682 -109047.9754 299.5533 216.0095 246.5467 758330.3353 6.6586 6.8567 PRESSURE: 1409000 185.499 -16.3219 -12.8707 -16.3221 -101.139 -59.1325 -12.8711 -59.1326 286.936 GPRESSURE: 1409000 242.306 -67.1647 -79.0236 -72.3494 -149.509 -116.183 89.0224 -49.4623 353.974 PRESSAVG: 1409000 75.4946 -9.90431 -64.0104 -9.9043 -55.7361 36.8454 -64.0104 36.8454 18.6789 GPRESSAVG: 1409000 76.7289 -9.88239 -63.0422 -10.2259 -57.8614 36.3664 -61.8023 35.8062 19.6202 TIMING: 1409000 CPU: 4480.07, 0.003199/step Wall: 4480.07, 0.003199/step, 3.191 hours remaining, 236.667969 MB of memory in use. ENERGY: 1409000 3971.7774 20440.1160 14455.9076 244.2982 -203521.5110 2585.6491 0.0000 0.0000 52257.2035 -109566.5592 300.3229 -161823.7628 -109197.0930 299.9877 123.7651 148.9239 758999.1281 12.8125 12.8292 PRESSURE: 1409200 412.701 145.332 -32.8174 145.333 93.3301 159.375 -32.8169 159.374 211.799 GPRESSURE: 1409200 308.536 131.125 -43.283 128.322 215.678 266.695 4.52894 56.2031 283.3 PRESSAVG: 1409200 -11.5426 -11.0966 -15.0654 -11.0967 -12.7194 14.8651 -15.0655 14.8651 22.732 GPRESSAVG: 1409200 -12.0937 -11.1343 -16.1668 -10.9313 -11.202 15.5922 -15.405 13.3531 21.4146 TIMING: 1409200 CPU: 4480.71, 0.00318244/step Wall: 4480.71, 0.00318244/step, 3.1743 hours remaining, 236.667969 MB of memory in use. ENERGY: 1409200 3995.1597 20430.1118 14553.8278 258.7734 -203586.0301 2661.2868 0.0000 0.0000 52105.4757 -109581.3950 299.4509 -161686.8707 -109216.3170 299.2919 239.2767 269.1712 758290.8713 -0.5100 -0.6270 PRESSURE: 1409400 -96.0277 104.527 -19.0762 104.527 -91.6284 167.823 -19.0764 167.824 13.3871 GPRESSURE: 1409400 5.17569 69.2463 -55.7102 160.236 -65.2256 191.234 -19.15 114.324 -31.6663 PRESSAVG: 1409400 -10.6599 40.362 18.5308 40.362 3.36216 -3.33073 18.5308 -3.33079 2.81482 GPRESSAVG: 1409400 -9.77764 40.6702 17.9578 41.5591 2.19851 -4.79138 17.4747 -3.63434 2.61347 TIMING: 1409400 CPU: 4481.34, 0.00315162/step Wall: 4481.34, 0.00315162/step, 3.14339 hours remaining, 236.667969 MB of memory in use. ENERGY: 1409400 4081.5828 20614.4931 14546.7001 242.5055 -203578.5885 2603.6916 0.0000 0.0000 52067.5196 -109422.0958 299.2328 -161489.6154 -109056.1219 298.9994 -58.0897 -30.5721 760477.2256 -1.4943 -1.6552 PRESSURE: 1409600 162.033 86.2772 -82.9332 86.2777 -26.4453 -215.792 -82.9339 -215.791 513.846 GPRESSURE: 1409600 133.676 -5.79029 -27.1348 112.428 34.0874 -163.511 -5.59476 -195.099 573.533 PRESSAVG: 1409600 39.8577 4.95569 -38.7406 4.95567 -27.7073 1.53267 -38.7406 1.53264 3.25261 GPRESSAVG: 1409600 39.7 6.19818 -37.1503 4.06845 -27.0834 1.05757 -39.0392 5.48315 2.55394 TIMING: 1409600 CPU: 4481.97, 0.00317273/step Wall: 4481.97, 0.00317273/step, 3.16427 hours remaining, 236.667969 MB of memory in use. ENERGY: 1409600 3903.2348 20395.4792 14623.0681 248.3466 -203590.3203 2635.7577 0.0000 0.0000 52278.1314 -109506.3025 300.4431 -161784.4339 -109136.2572 299.6975 216.4781 247.0985 758899.8016 5.1343 5.0569 PRESSURE: 1409800 -82.8395 14.3306 -134.759 14.3311 3.74641 -66.0947 -134.759 -66.0946 165.743 GPRESSURE: 1409800 -12.7079 -77.2407 -237.1 -33.4207 48.4737 -49.0731 101.312 2.63381 124.118 PRESSAVG: 1409800 35.2996 -38.4906 -6.01403 -38.4906 -25.2391 2.11867 -6.01404 2.11872 7.21845 GPRESSAVG: 1409800 34.401 -40.5687 -7.13864 -37.1681 -25.9095 2.99775 -3.9833 0.990292 8.13005 TIMING: 1409800 CPU: 4482.61, 0.00319229/step Wall: 4482.61, 0.00319229/step, 3.1836 hours remaining, 236.667969 MB of memory in use. ENERGY: 1409800 3937.8301 20605.8133 14549.4151 258.3316 -203455.0552 2371.8592 0.0000 0.0000 52206.1875 -109525.6185 300.0297 -161731.8060 -109174.6929 299.7010 28.8832 53.2946 759781.2650 5.7597 5.5405 PRESSURE: 1410000 -399.801 65.1801 126.382 65.1801 -78.6312 130.301 126.381 130.301 -383.688 GPRESSURE: 1410000 -426.636 184.276 127.492 77.244 -33.6355 74.1158 170.747 99.2564 -313.916 PRESSAVG: 1410000 -25.9195 -39.2144 12.7805 -39.2144 19.0978 -52.103 12.7805 -52.1031 9.35823 GPRESSAVG: 1410000 -26.0023 -37.5177 12.8969 -39.3118 19.6084 -52.236 11.1024 -53.574 8.78309 TIMING: 1410000 CPU: 4483.25, 0.00317517/step Wall: 4483.25, 0.00317517/step, 3.16635 hours remaining, 236.667969 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: 1410000 3952.5891 20625.8977 14525.3826 227.6913 -203642.3141 2686.5700 0.0000 0.0000 52118.1386 -109506.0448 299.5237 -161624.1834 -109133.3448 299.7578 -287.3733 -258.0626 761233.4305 0.8455 0.7964 PRESSURE: 1410200 -257.502 143.268 -105.998 143.269 -96.7376 153.621 -105.998 153.622 -12.3972 GPRESSURE: 1410200 -219.874 96.4317 -146.745 176.525 -35.9659 208.37 -51.5826 184.927 -39.0752 PRESSAVG: 1410200 -17.223 -32.3888 8.25397 -32.3888 -18.309 -12.1824 8.25397 -12.1824 3.65844 GPRESSAVG: 1410200 -17.3152 -34.8453 6.93276 -31.1166 -18.456 -11.1722 9.39842 -12.2834 3.71094 TIMING: 1410200 CPU: 4483.88, 0.00316119/step Wall: 4483.88, 0.00316118/step, 3.15223 hours remaining, 236.667969 MB of memory in use. ENERGY: 1410200 4054.3284 20601.7821 14534.8957 242.3971 -203745.5935 2706.3432 0.0000 0.0000 52243.5423 -109362.3047 300.2444 -161605.8470 -109004.3292 299.7331 -122.2122 -98.3050 761118.0192 -10.6245 -10.6868 PRESSURE: 1410400 -176.224 -42.1813 68.6 -42.1812 140.404 -95.218 68.6007 -95.2188 -31.5268 GPRESSURE: 1410400 -138.977 -98.0927 -2.97031 8.35333 161.453 -256.31 8.64892 -44.0882 -21.2984 PRESSAVG: 1410400 -16.9294 -35.7394 41.1256 -35.7395 27.264 0.529277 41.1256 0.529256 3.54776 GPRESSAVG: 1410400 -15.7552 -36.2284 41.1376 -36.4128 26.7406 -0.324079 38.7662 0.801109 3.73028 TIMING: 1410400 CPU: 4484.51, 0.00318033/step Wall: 4484.51, 0.00318033/step, 3.17114 hours remaining, 236.667969 MB of memory in use. ENERGY: 1410400 3879.5405 20566.8584 14559.6025 234.7169 -203547.1926 2473.8223 0.0000 0.0000 52383.4791 -109449.1728 301.0486 -161832.6520 -109080.3517 299.8937 -22.4486 0.3925 759295.3675 4.6274 4.9052 PRESSURE: 1410600 -198.809 77.0292 -289.857 77.0298 -198.338 149.744 -289.856 149.744 414.68 GPRESSURE: 1410600 -145.294 94.4276 -234.86 11.7402 -57.3949 154.974 -264.566 13.376 299.981 PRESSAVG: 1410600 -32.6293 -35.648 -32.0534 -35.648 10.4423 7.08227 -32.0533 7.0822 -0.650335 GPRESSAVG: 1410600 -32.8671 -34.1044 -30.9418 -38.0718 12.1924 7.1014 -30.2046 8.70191 -1.48817 TIMING: 1410600 CPU: 4485.16, 0.00321743/step Wall: 4485.16, 0.00321743/step, 3.20796 hours remaining, 236.667969 MB of memory in use. ENERGY: 1410600 4038.2423 20638.1418 14535.5684 248.6030 -203763.9104 2693.0153 0.0000 0.0000 52069.2414 -109541.0981 299.2426 -161610.3395 -109192.6278 299.7291 5.8443 32.4307 758125.3923 -7.6124 -7.3876 PRESSURE: 1410800 -76.674 50.9815 -21.0216 50.9823 116.624 28.9243 -21.0223 28.9249 2.45024 GPRESSURE: 1410800 -28.3533 75.0743 5.5432 -83.9991 169.213 25.2749 -40.1135 -123.291 -34.2784 PRESSAVG: 1410800 -59.5781 -87.4308 -41.5721 -87.4309 68.7702 20.2878 -41.5721 20.2878 4.37815 GPRESSAVG: 1410800 -59.5402 -87.6307 -40.4391 -84.0773 68.1685 19.8205 -40.2191 18.3996 5.19997 TIMING: 1410800 CPU: 4485.79, 0.00317884/step Wall: 4485.79, 0.00317884/step, 3.16931 hours remaining, 236.667969 MB of memory in use. ENERGY: 1410800 4004.9158 20551.3970 14488.2522 242.8914 -203237.9864 2349.3272 0.0000 0.0000 52238.1624 -109363.0404 300.2134 -161601.2027 -109010.7426 299.9370 14.1333 35.5271 759142.4061 4.5234 4.6094 PRESSURE: 1411000 -232.802 83.1197 -7.23807 83.1195 61.0732 -77.589 -7.23849 -77.5887 95.7009 GPRESSURE: 1411000 -156.03 -72.1928 58.2916 23.2775 64.7432 -38.6837 -132.857 -117.758 95.2455 PRESSAVG: 1411000 -28.8131 -23.9988 36.3975 -23.9989 25.8452 19.3546 36.3975 19.3545 6.30896 GPRESSAVG: 1411000 -30.3529 -22.6867 34.4615 -25.0733 26.3212 20.3802 37.1411 19.0398 6.73625 TIMING: 1411000 CPU: 4486.43, 0.0031707/step Wall: 4486.43, 0.0031707/step, 3.16102 hours remaining, 236.667969 MB of memory in use. ENERGY: 1411000 3999.1847 20514.3318 14595.8389 244.5371 -203426.7075 2426.4616 0.0000 0.0000 52415.5855 -109230.7679 301.2331 -161646.3534 -108865.0629 300.1791 -25.3426 1.3194 759488.0013 1.1137 0.9015 PRESSURE: 1411200 41.2706 -144.008 40.573 -144.009 -171.695 2.58877 40.5737 2.58809 -346.574 GPRESSURE: 1411200 136.124 -68.8134 120.156 -247.021 -145.699 29.4827 37.4263 -130.889 -379.085 PRESSAVG: 1411200 15.9155 -65.8936 5.36028 -65.8937 5.2469 -11.8736 5.36028 -11.8737 -6.36956 GPRESSAVG: 1411200 16.5835 -66.4624 5.43482 -67.0206 4.58844 -12.5239 2.91132 -13.7416 -6.07701 TIMING: 1411200 CPU: 4487.06, 0.00316902/step Wall: 4487.06, 0.00316902/step, 3.15917 hours remaining, 236.667969 MB of memory in use. ENERGY: 1411200 4046.1984 20404.0866 14533.8313 277.7471 -203404.3988 2737.3193 0.0000 0.0000 52110.5779 -109294.6382 299.4802 -161405.2161 -108927.1469 300.2360 -158.9993 -129.5532 759847.9719 4.9310 5.0316 PRESSURE: 1411400 -387.061 -55.265 -83.8919 -55.2658 -254.332 -179.112 -83.8927 -179.111 -294.872 GPRESSURE: 1411400 -337.078 -105.852 -110.409 82.2414 -290.476 -130.474 34.6404 -4.03046 -218.517 PRESSAVG: 1411400 -28.3556 -53.4793 -20.6358 -53.4794 21.3896 1.5828 -20.6358 1.58289 2.16444 GPRESSAVG: 1411400 -28.4576 -54.6488 -19.0591 -50.9362 22.0024 1.08524 -18.1522 5.87588 1.60381 TIMING: 1411400 CPU: 4487.7, 0.0031771/step Wall: 4487.7, 0.0031771/step, 3.16704 hours remaining, 236.667969 MB of memory in use. ENERGY: 1411400 4009.6277 20677.9948 14500.6104 241.4371 -203269.2536 2272.9576 0.0000 0.0000 52376.0294 -109190.5966 301.0058 -161566.6260 -108818.1540 299.8551 -312.0885 -282.0236 760169.0805 -1.6005 -1.6171 PRESSURE: 1411600 -111.04 -204.744 -86.4479 -204.745 27.7597 -156.053 -86.4477 -156.053 40.275 GPRESSURE: 1411600 -93.1614 -141.347 -44.6231 -139.033 127.356 -205.411 -104.87 -231.334 -1.6498 PRESSAVG: 1411600 -8.36724 -40.8085 41.9035 -40.8085 -6.21914 -74.3422 41.9036 -74.3422 -21.9415 GPRESSAVG: 1411600 -7.88755 -37.4033 41.2286 -42.3769 -6.6152 -73.41 42.9768 -77.3076 -21.8545 TIMING: 1411600 CPU: 4488.33, 0.00318159/step Wall: 4488.33, 0.00318159/step, 3.17133 hours remaining, 236.667969 MB of memory in use. ENERGY: 1411600 3954.6812 20554.5408 14570.6202 258.1421 -203061.9202 2443.1072 0.0000 0.0000 52265.9971 -109014.8316 300.3734 -161280.8288 -108650.2089 300.6092 -14.3349 10.8483 762277.3036 -12.1760 -12.1191 PRESSURE: 1411800 398.354 -123.558 141.05 -123.558 -84.0038 -22.4754 141.05 -22.4745 -126.572 GPRESSURE: 1411800 440.819 -36.6468 58.9363 -152.115 -26.2935 -77.7439 244.49 -12.7218 -160.818 PRESSAVG: 1411800 46.8087 30.2141 10.6812 30.214 -17.4676 10.9315 10.6813 10.9315 -30.8153 GPRESSAVG: 1411800 46.3581 27.6884 11.0066 31.2438 -18.073 10.0734 7.62591 10.4756 -30.0834 TIMING: 1411800 CPU: 4488.97, 0.00316212/step Wall: 4488.97, 0.00316212/step, 3.15175 hours remaining, 236.667969 MB of memory in use. ENERGY: 1411800 3975.8182 20715.2429 14513.5197 248.3857 -203132.1738 2572.3418 0.0000 0.0000 52008.7585 -109098.1070 298.8950 -161106.8655 -108757.2787 300.2492 62.5928 84.5694 761649.0537 -0.4914 -0.5994 PRESSURE: 1412000 79.7233 -23.8053 151.151 -23.8046 94.748 7.92143 151.15 7.92246 -224.839 GPRESSURE: 1412000 79.4448 5.27869 146.231 67.9826 163.003 27.407 248.714 23.646 -226.587 PRESSAVG: 1412000 12.1447 -51.461 9.04986 -51.4609 -9.96269 -13.5501 9.04976 -13.5501 29.2146 GPRESSAVG: 1412000 11.7929 -50.6855 8.17137 -52.4517 -10.4287 -13.6748 12.0257 -11.495 29.4202 TIMING: 1412000 CPU: 4489.6, 0.0031756/step Wall: 4489.6, 0.0031756/step, 3.16501 hours remaining, 236.667969 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: 1412000 4012.3952 20364.0500 14515.0302 237.4173 -202502.3743 2091.8084 0.0000 0.0000 52073.7561 -109207.9172 299.2686 -161281.6733 -108837.8210 300.1518 -16.7891 5.2872 761986.1421 10.4655 10.2615 PRESSURE: 1412200 -98.8326 171.502 26.1111 171.501 -109.343 -121.271 26.1108 -121.27 60.3945 GPRESSURE: 1412200 -91.3552 159.218 61.5671 -13.5697 -75.5831 -131.381 123.082 -61.9515 110.854 PRESSAVG: 1412200 -44.0407 -19.4053 20.4709 -19.4053 36.9875 41.6409 20.4709 41.641 9.63118 GPRESSAVG: 1412200 -44.1073 -20.1862 21.8112 -20.0385 36.8821 41.4504 20.1211 39.926 9.51002 TIMING: 1412200 CPU: 4490.24, 0.00317464/step Wall: 4490.24, 0.00317464/step, 3.16388 hours remaining, 236.667969 MB of memory in use. ENERGY: 1412200 3893.4441 20518.9072 14616.0755 249.1733 -203023.7086 2373.6005 0.0000 0.0000 52178.9492 -109193.5589 299.8731 -161372.5081 -108831.5112 299.8968 -49.2603 -18.6947 761027.0506 0.8593 0.7616 LDB: ============= START OF LOAD BALANCING ============== 4502.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4502.69 LDB: =============== DONE WITH MIGRATION ================ 4502.69 LDB: ============= START OF LOAD BALANCING ============== 4503.01 LDB: Largest compute 7026 load 0.036317 is 18.6% of average load 0.195083 LDB: Average compute 0.004423 is 2.3% of average load 0.195083 LDB: TIME 4503.01 LOAD: AVG 0.195083 MAX 0.212519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.461 MB LDB: TIME 4503.01 LOAD: AVG 0.195083 MAX 0.212519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.461 MB LDB: TIME 4503.01 LOAD: AVG 0.195083 MAX 0.212519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.461 MB LDB: ============== END OF LOAD BALANCING =============== 4503.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4503.02 PRESSURE: 1412400 -16.9748 95.9126 216.101 95.9133 -34.3494 -217.566 216.099 -217.565 -65.7737 GPRESSURE: 1412400 -8.42274 40.6943 208.096 47.5948 -55.6352 -113 167.758 -267.051 20.8197 PRESSAVG: 1412400 -51.7621 -30.3159 18.4 -30.3158 50.25 2.47332 18.4 2.47334 9.08207 GPRESSAVG: 1412400 -51.242 -28.2183 17.2167 -29.1196 51.2122 5.6572 17.916 1.70689 7.79001 TIMING: 1412400 CPU: 4490.88, 0.00324057/step Wall: 4490.88, 0.00324057/step, 3.2294 hours remaining, 238.781250 MB of memory in use. ENERGY: 1412400 3884.5789 20540.9038 14633.3120 251.1039 -203791.6452 2854.6268 0.0000 0.0000 52189.3840 -109437.7357 299.9331 -161627.1197 -109080.8735 299.9118 -39.0326 -14.4127 761497.0141 2.5233 2.5868 PRESSURE: 1412600 202.798 -46.0006 -73.0974 -45.9997 60.3968 224.892 -73.0979 224.891 223.303 GPRESSURE: 1412600 185.898 -69.1189 -34.4562 10.7436 152.972 277.777 -94.9955 201.862 232.204 PRESSAVG: 1412600 5.84635 -51.7741 36.2783 -51.7741 -6.67057 6.5594 36.2783 6.55942 -14.4674 GPRESSAVG: 1412600 3.8675 -55.0963 36.7864 -51.2277 -5.97007 3.56109 35.7693 7.98729 -13.3988 TIMING: 1412600 CPU: 4491.52, 0.00317295/step Wall: 4491.52, 0.00317295/step, 3.16184 hours remaining, 238.781250 MB of memory in use. ENERGY: 1412600 3984.9569 20632.5075 14516.1557 242.9849 -203644.8693 2680.8343 0.0000 0.0000 52203.0946 -109384.3355 300.0119 -161587.4300 -109028.1468 299.9193 162.1662 190.3582 760466.7740 -5.0972 -5.1671 PRESSURE: 1412800 145.883 -244.019 15.8748 -244.018 -128.571 53.4589 15.8748 53.4583 -104.552 GPRESSURE: 1412800 183.308 -309.981 19.7659 -305.781 -62.8665 61.3173 -26.9536 62.5872 -104.259 PRESSAVG: 1412800 -21.4545 -30.3277 12.5258 -30.3277 -4.04337 -28.5234 12.5258 -28.5234 2.61261 GPRESSAVG: 1412800 -20.3449 -27.7286 11.708 -29.9114 -4.6296 -27.8678 14.3254 -27.9482 2.46032 TIMING: 1412800 CPU: 4492.15, 0.00316949/step Wall: 4492.15, 0.00316949/step, 3.15822 hours remaining, 238.781250 MB of memory in use. ENERGY: 1412800 3998.3016 20458.5494 14534.1447 240.3995 -203700.1652 2727.4492 0.0000 0.0000 52052.4804 -109688.8404 299.1463 -161741.3208 -109327.6792 299.6521 -29.0799 5.3944 760715.7300 -7.6284 -7.5047 PRESSURE: 1413000 -217.441 117.929 205.12 117.929 -18.203 12.6548 205.119 12.6555 -171.944 GPRESSURE: 1413000 -141.24 130.083 202.13 78.0587 -47.3922 -103.599 254.317 162.066 -146.336 PRESSAVG: 1413000 13.2475 26.705 25.2614 26.7051 -27.4183 5.06525 25.2613 5.06527 -18.5356 GPRESSAVG: 1413000 13.8569 26.1952 24.8809 25.6414 -28.1482 5.0367 23.6437 3.71986 -18.0554 TIMING: 1413000 CPU: 4492.79, 0.00318505/step Wall: 4492.79, 0.00318505/step, 3.17355 hours remaining, 238.781250 MB of memory in use. ENERGY: 1413000 3964.7022 20526.7877 14486.7743 255.9969 -203272.9074 2401.8411 0.0000 0.0000 52194.2311 -109442.5741 299.9610 -161636.8052 -109089.4453 298.8428 -135.8626 -111.6560 762289.2663 -10.9021 -10.7822 PRESSURE: 1413200 -129.297 191.63 -29.4083 191.63 12.9216 -5.9113 -29.4085 -5.91041 -215.062 GPRESSURE: 1413200 -111.334 136.253 -38.073 149.607 78.795 -42.6466 21.2843 68.092 -198.535 PRESSAVG: 1413200 3.13495 -11.5481 38.7851 -11.5481 -5.70991 -36.1056 38.7851 -36.1056 5.29366 GPRESSAVG: 1413200 2.04423 -14.4376 41.0626 -9.33044 -4.0425 -35.0832 39.2874 -34.6505 4.90736 TIMING: 1413200 CPU: 4493.43, 0.00318248/step Wall: 4493.43, 0.00318248/step, 3.17081 hours remaining, 238.781250 MB of memory in use. ENERGY: 1413200 4031.8875 20657.6395 14575.3700 244.1122 -203132.1123 2346.8560 0.0000 0.0000 51729.1472 -109547.0998 297.2881 -161276.2470 -109190.6807 299.1732 -110.4794 -77.0248 762825.8694 0.9062 0.9697 PRESSURE: 1413400 43.119 2.89237 69.5611 2.89168 13.231 -38.5988 69.5616 -38.5996 -31.9877 GPRESSURE: 1413400 115.326 145.481 35.3688 50.9787 -46.2785 -2.19766 79.2514 48.0786 35.1229 PRESSAVG: 1413400 -46.2338 23.1246 14.9348 23.1245 50.4165 -12.8528 14.9347 -12.8528 -7.5106 GPRESSAVG: 1413400 -45.3042 26.9324 12.9701 17.4818 48.0427 -14.1222 15.9164 -12.0599 -6.83366 TIMING: 1413400 CPU: 4494.06, 0.00317359/step Wall: 4494.06, 0.00317359/step, 3.16177 hours remaining, 238.781250 MB of memory in use. ENERGY: 1413400 3948.9126 20409.8314 14510.6719 249.8113 -203082.4039 2476.3509 0.0000 0.0000 51897.0240 -109589.8019 298.2529 -161486.8259 -109234.6947 299.2998 8.1208 34.7235 761976.7685 -1.1093 -1.3650 PRESSURE: 1413600 -120.542 -197.906 144.66 -197.906 -53.3152 -35.0764 144.66 -35.0762 226.289 GPRESSURE: 1413600 -98.1161 -39.7921 110.016 -82.799 16.9632 -27.1127 233.774 -187.536 235.597 PRESSAVG: 1413600 33.864 4.87214 21.1495 4.87217 -27.1655 -54.6896 21.1494 -54.6896 3.94954 GPRESSAVG: 1413600 32.7083 2.92292 21.5787 7.28495 -25.4263 -54.7471 20.1266 -54.5541 3.7098 TIMING: 1413600 CPU: 4494.7, 0.0031717/step Wall: 4494.7, 0.0031717/step, 3.15972 hours remaining, 238.781250 MB of memory in use. ENERGY: 1413600 3997.9277 20287.7370 14584.9390 235.3333 -203467.0802 2674.0632 0.0000 0.0000 51972.5886 -109714.4914 298.6872 -161687.0800 -109352.0581 298.4529 17.4772 51.4815 762021.6647 3.5494 3.6639 PRESSURE: 1413800 -76.5522 -232.644 -58.4163 -232.644 303.936 53.7743 -58.417 53.7739 209.253 GPRESSURE: 1413800 -52.8638 -255.794 -41.3263 -280.173 334.716 28.7249 -71.5013 134.606 236.401 PRESSAVG: 1413800 19.997 -27.8304 6.88681 -27.8305 -21.3856 27.6377 6.88683 27.6377 -3.37646 GPRESSAVG: 1413800 20.4415 -27.7225 9.85644 -26.8747 -22.3333 27.9751 4.62336 27.6879 -3.04533 TIMING: 1413800 CPU: 4495.33, 0.0031796/step Wall: 4495.33, 0.0031796/step, 3.16741 hours remaining, 238.781250 MB of memory in use. ENERGY: 1413800 3909.0670 20574.0679 14449.6338 239.9948 -203875.8748 2966.9430 0.0000 0.0000 51840.4451 -109895.7233 297.9278 -161736.1683 -109531.7482 298.4134 145.5458 172.7509 761703.4720 -1.5884 -1.6457 PRESSURE: 1414000 -154.567 40.4011 154.013 40.4008 59.7994 88.6669 154.012 88.6666 -159.737 GPRESSURE: 1414000 -150.431 -24.3304 78.5261 -15.2434 108.448 160.525 152.157 -52.7744 -121.78 PRESSAVG: 1414000 29.1695 -3.60172 -10.7665 -3.60165 -59.9142 -23.2907 -10.7666 -23.2908 -18.9381 GPRESSAVG: 1414000 29.144 -3.80806 -13.4817 -3.34328 -59.7481 -22.1141 -9.20401 -23.6618 -19.2827 TIMING: 1414000 CPU: 4495.97, 0.00317682/step Wall: 4495.97, 0.00317682/step, 3.16446 hours remaining, 238.781250 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: 1414000 3991.3101 20285.8701 14453.0009 248.7993 -203207.1976 2339.0280 0.0000 0.0000 52091.7361 -109797.4532 299.3719 -161889.1892 -109437.5410 298.4008 -84.8347 -54.5876 761374.5787 -16.5609 -16.6289 PRESSURE: 1414200 240.393 128.583 104.287 128.583 199.65 11.288 104.287 11.2866 437.505 GPRESSURE: 1414200 266.799 176.92 154.412 76.7602 223.707 -45.7027 107.125 -48.65 474.262 PRESSAVG: 1414200 25.8383 -9.05435 31.6364 -9.05432 -4.17324 8.89542 31.6364 8.8954 13.768 GPRESSAVG: 1414200 26.4669 -6.24708 33.8032 -9.15014 -5.14881 6.2119 29.351 7.50617 14.4568 TIMING: 1414200 CPU: 4496.6, 0.00318825/step Wall: 4496.6, 0.00318825/step, 3.17567 hours remaining, 238.781250 MB of memory in use. ENERGY: 1414200 3873.5555 20242.8804 14468.0254 247.6323 -203673.8252 2866.3314 0.0000 0.0000 52183.0055 -109792.3946 299.8965 -161975.4002 -109433.2016 298.4010 292.5162 321.5896 761701.4094 11.8110 11.9250 PRESSURE: 1414400 -100.001 -49.2218 -104.787 -49.2219 -201.842 189.514 -104.786 189.514 -335.493 GPRESSURE: 1414400 -96.9181 -147.083 -71.116 14.613 -138.785 205.93 -105.492 200.13 -306.569 PRESSAVG: 1414400 2.83316 -41.0946 4.51152 -41.0946 12.793 -39.3897 4.51156 -39.3897 -3.63217 GPRESSAVG: 1414400 1.81884 -43.5142 3.56991 -41.5253 14.036 -38.1729 5.37221 -38.1827 -4.08731 TIMING: 1414400 CPU: 4497.24, 0.0031917/step Wall: 4497.24, 0.0031917/step, 3.17893 hours remaining, 238.781250 MB of memory in use. ENERGY: 1414400 4023.2130 20313.0449 14577.3024 242.6860 -203221.8075 2526.7640 0.0000 0.0000 51804.4850 -109734.3122 297.7211 -161538.7972 -109382.5722 298.7690 -212.4458 -180.7573 763553.9075 3.9980 3.9225 PRESSURE: 1414600 176.705 59.9474 -60.9688 59.9471 -13.7718 91.2283 -60.9692 91.2281 -564.81 GPRESSURE: 1414600 177.018 20.834 -2.49644 -69.0572 -9.17448 50.4765 -95.9549 -57.4337 -486.859 PRESSAVG: 1414600 28.4058 -26.7069 -8.26886 -26.7069 -8.80647 -16.2373 -8.26882 -16.2373 2.50586 GPRESSAVG: 1414600 28.548 -26.6897 -8.29461 -26.6975 -10.5168 -15.165 -7.5506 -16.8312 3.1112 TIMING: 1414600 CPU: 4497.88, 0.0031956/step Wall: 4497.88, 0.0031956/step, 3.18264 hours remaining, 238.781250 MB of memory in use. ENERGY: 1414600 3976.7298 20577.7410 14585.0371 237.0758 -203099.0011 2312.8393 0.0000 0.0000 51869.1022 -109540.4759 298.0924 -161409.5781 -109185.2169 298.4221 -133.9588 -106.3383 762159.9931 7.3684 7.0474 PRESSURE: 1414800 133.575 -91.552 -64.9907 -91.552 -182.371 -101.491 -64.9913 -101.491 -96.9703 GPRESSURE: 1414800 97.6256 -48.6216 -34.3542 -38.9672 -62.237 -90.9599 6.87089 -90.6157 -116.197 PRESSAVG: 1414800 -27.2422 19.8186 20.5298 19.8186 54.1303 -13.413 20.5298 -13.4129 24.6378 GPRESSAVG: 1414800 -27.2999 19.0342 20.1597 20.9501 56.3647 -13.6329 21.6863 -15.1724 22.4737 TIMING: 1414800 CPU: 4498.52, 0.00316879/step Wall: 4498.52, 0.00316879/step, 3.15576 hours remaining, 238.781250 MB of memory in use. ENERGY: 1414800 3968.2823 20564.4801 14496.6115 245.5555 -203395.9784 2590.5474 0.0000 0.0000 52215.6113 -109314.8903 300.0838 -161530.5015 -108954.3729 299.2725 -48.5886 -26.9361 761564.7614 17.1753 17.1795 PRESSURE: 1415000 -3.26647 -94.2372 -88.5434 -94.2366 60.6245 -23.0253 -88.5437 -23.0264 -91.0179 GPRESSURE: 1415000 -30.1978 -91.6237 -60.9564 -100.933 154.68 -58.2953 -24.5429 -79.8487 -59.9569 PRESSAVG: 1415000 -59.0761 21.1865 -41.5585 21.1865 26.5714 -30.8413 -41.5586 -30.8413 -9.12631 GPRESSAVG: 1415000 -59.3494 22.4969 -40.2784 20.6894 25.4058 -31.6367 -44.0371 -27.8621 -7.96533 TIMING: 1415000 CPU: 4499.15, 0.00318251/step Wall: 4499.15, 0.00318251/step, 3.16925 hours remaining, 238.781250 MB of memory in use. ENERGY: 1415000 4035.2486 20468.7463 14483.7769 249.9918 -203293.9513 2518.5525 0.0000 0.0000 52132.7652 -109404.8699 299.6077 -161537.6351 -109047.0601 299.5156 -11.2200 21.5083 760201.0727 -13.8770 -13.9697 PRESSURE: 1415200 6.69014 103.504 388.393 103.504 107.049 -105.588 388.392 -105.587 -39.8429 GPRESSURE: 1415200 43.1945 79.4813 286.745 63.6058 199.911 -96.5217 377.115 -278.668 -86.8766 PRESSAVG: 1415200 -9.92846 3.36888 29.3236 3.36888 -2.78687 -7.63441 29.3235 -7.63442 1.60162 GPRESSAVG: 1415200 -8.85387 2.75349 28.8268 4.63731 -3.44405 -7.49332 29.1298 -10.2692 1.00206 TIMING: 1415200 CPU: 4499.79, 0.00317235/step Wall: 4499.79, 0.00317235/step, 3.15896 hours remaining, 238.781250 MB of memory in use. ENERGY: 1415200 4034.2934 20373.6860 14464.7157 267.1958 -203410.4562 2626.4540 0.0000 0.0000 52303.0637 -109341.0476 300.5864 -161644.1113 -108976.1786 299.8173 24.6320 52.0763 759269.4139 -3.7046 -3.7653 PRESSURE: 1415400 104.399 -8.66387 21.2473 -8.66369 -370.122 -186.102 21.2472 -186.102 -146.249 GPRESSURE: 1415400 107.744 -10.1037 -2.36998 75.3645 -293.419 -169.41 -104.955 -73.9701 -135.56 PRESSAVG: 1415400 41.7804 -15.7031 24.9649 -15.7031 -21.8409 11.633 24.9649 11.6331 -11.0535 GPRESSAVG: 1415400 40.894 -16.9947 26.7741 -15.8192 -21.2082 11.5446 26.2549 13.4764 -11.4265 TIMING: 1415400 CPU: 4500.42, 0.0031792/step Wall: 4500.42, 0.0031792/step, 3.1656 hours remaining, 238.781250 MB of memory in use. ENERGY: 1415400 4046.2536 20443.3124 14492.2751 258.5397 -203132.5505 2276.7220 0.0000 0.0000 52160.7884 -109454.6594 299.7688 -161615.4477 -109082.6485 299.7006 -137.3240 -107.0785 761929.8785 2.9620 2.7531 PRESSURE: 1415600 -162.435 -66.2272 -17.4788 -66.2272 -407.793 -3.58376 -17.4795 -3.58438 -473.952 GPRESSURE: 1415600 -141.752 148.069 32.0157 -200.785 -410.559 -12.8423 -177.967 29.0913 -394.701 PRESSAVG: 1415600 -4.00041 45.8594 -43.7175 45.8594 -51.0924 -50.4052 -43.7175 -50.4053 0.304248 GPRESSAVG: 1415600 -4.14952 48.1954 -44.7991 43.3999 -50.9668 -50.3222 -46.2289 -51.7485 0.359486 TIMING: 1415600 CPU: 4501.06, 0.00317295/step Wall: 4501.06, 0.00317295/step, 3.1592 hours remaining, 238.781250 MB of memory in use. ENERGY: 1415600 4026.4573 20319.9512 14434.8820 237.4104 -203176.5335 2468.8823 0.0000 0.0000 52071.9321 -109617.0183 299.2581 -161688.9503 -109247.3109 298.6958 -348.0600 -315.6710 762734.6844 -18.2629 -18.2523 PRESSURE: 1415800 444.953 -83.4549 93.0581 -83.4555 164.688 -112.165 93.0584 -112.165 232.165 GPRESSURE: 1415800 410.67 -180.768 113.104 -57.4726 307.92 -105.943 78.8619 -72.4072 198.123 PRESSAVG: 1415800 70.5821 -8.95065 10.2732 -8.95064 -41.9822 -17.2519 10.2733 -17.2518 16.2545 GPRESSAVG: 1415800 70.5453 -12.1149 9.71697 -7.52557 -41.0744 -17.2821 11.6683 -16.4945 15.7495 TIMING: 1415800 CPU: 4501.69, 0.00316325/step Wall: 4501.69, 0.00316325/step, 3.14937 hours remaining, 238.781250 MB of memory in use. ENERGY: 1415800 3952.1344 20443.5472 14451.8427 247.4017 -203840.9806 2955.5698 0.0000 0.0000 51806.7005 -109983.7843 297.7338 -161790.4848 -109623.5258 298.1421 280.6020 305.5711 760635.0065 14.9515 15.0734 PRESSURE: 1416000 -174.358 -163.734 32.0892 -163.733 18.6419 -110.525 32.0893 -110.525 312.502 GPRESSURE: 1416000 -92.5813 -75.2087 -4.40236 -132.825 42.1528 -134.193 104.922 -137.827 280.205 PRESSAVG: 1416000 59.5334 -3.08376 9.59407 -3.08373 -56.0124 -6.63203 9.59415 -6.63197 1.89724 GPRESSAVG: 1416000 60.0092 0.131954 9.84889 -4.03971 -57.1192 -4.27698 11.2272 -6.76361 2.3211 TIMING: 1416000 CPU: 4502.32, 0.00316193/step Wall: 4502.32, 0.00316193/step, 3.14788 hours remaining, 238.781250 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: 1416000 3925.7313 20278.3157 14439.7421 242.9535 -203728.2241 2741.9514 0.0000 0.0000 52205.6901 -109893.8399 300.0268 -162099.5300 -109529.1790 298.2533 52.2620 76.5921 762193.9826 1.8061 1.7370 PRESSURE: 1416200 84.2874 -17.796 1.39344 -17.7959 -189.813 184.451 1.3934 184.451 258.71 GPRESSURE: 1416200 65.3088 60.5266 -120.911 -134.248 -121.91 236.413 -38.5143 119.755 289.27 PRESSAVG: 1416200 27.3395 -30.5109 43.3367 -30.511 -4.48323 -66.4059 43.3367 -66.4059 -0.215063 GPRESSAVG: 1416200 25.6222 -31.4675 42.2486 -29.3233 -4.34014 -67.3858 41.5077 -65.6179 0.963519 TIMING: 1416200 CPU: 4502.96, 0.00316885/step Wall: 4502.96, 0.00316885/step, 3.15459 hours remaining, 238.781250 MB of memory in use. ENERGY: 1416200 3956.5403 20237.2315 14585.5093 237.5554 -203527.4899 2744.7706 0.0000 0.0000 51826.6385 -109939.2443 297.8484 -161765.8828 -109579.8109 298.0390 51.0616 77.5565 761502.0812 7.5471 7.4152 LDB: ============= START OF LOAD BALANCING ============== 4515.41 LDB: ============== END OF LOAD BALANCING =============== 4515.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4515.41 LDB: ============= START OF LOAD BALANCING ============== 4515.73 LDB: Largest compute 7059 load 0.036370 is 18.6% of average load 0.195175 LDB: Average compute 0.004414 is 2.3% of average load 0.195175 LDB: TIME 4515.73 LOAD: AVG 0.195175 MAX 0.213616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.621 MB LDB: TIME 4515.73 LOAD: AVG 0.195175 MAX 0.213616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: TIME 4515.73 LOAD: AVG 0.195175 MAX 0.213616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: ============== END OF LOAD BALANCING =============== 4515.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4515.74 PRESSURE: 1416400 100.054 -51.0624 15.6307 -51.0633 -122.659 -187.427 15.6306 -187.428 261.134 GPRESSURE: 1416400 173.961 -82.6303 38.8871 -34.7303 -76.7979 -247.865 0.799915 -243.951 241.413 PRESSAVG: 1416400 15.6304 -24.3267 3.73321 -24.3267 4.76822 -48.4635 3.73323 -48.4636 1.03138 GPRESSAVG: 1416400 16.8908 -25.0531 4.84316 -23.998 3.61865 -49.594 2.95902 -49.2656 0.971675 TIMING: 1416400 CPU: 4503.6, 0.00323718/step Wall: 4503.6, 0.00323718/step, 3.22243 hours remaining, 237.382812 MB of memory in use. ENERGY: 1416400 3978.7785 20324.9119 14513.7239 251.9242 -203999.3328 2985.5081 0.0000 0.0000 52104.8112 -109839.6750 299.4471 -161944.4861 -109471.7433 298.3481 79.5097 112.8587 760275.8619 7.1433 7.1604 PRESSURE: 1416600 -112.354 -48.804 -343.149 -48.8044 76.0023 263.659 -343.15 263.659 82.2266 GPRESSURE: 1416600 -74.7273 14.813 -321.885 6.38238 117.751 259.182 -291.17 61.1365 102.076 PRESSAVG: 1416600 19.6742 12.6403 -11.4006 12.6403 39.567 -35.5876 -11.4005 -35.5876 -12.8038 GPRESSAVG: 1416600 19.8514 13.3256 -13.4953 12.6758 39.8432 -36.0432 -11.3612 -34.5269 -13.2534 TIMING: 1416600 CPU: 4504.24, 0.00317285/step Wall: 4504.24, 0.00317285/step, 3.15822 hours remaining, 237.382812 MB of memory in use. ENERGY: 1416600 4048.6917 20397.1448 14510.8095 241.9695 -203519.7257 2697.1652 0.0000 0.0000 51831.4704 -109792.4745 297.8762 -161623.9450 -109434.5269 298.7213 15.2916 48.3666 759856.8469 15.4791 15.4804 PRESSURE: 1416800 438.316 -297.275 249.997 -297.277 -245.311 -56.6999 249.997 -56.7 512.549 GPRESSURE: 1416800 385.596 -197.157 211.335 -197.703 -131.353 -69.5746 280.169 -114.065 509.426 PRESSAVG: 1416800 23.1456 -12.9588 46.5356 -12.9587 16.0337 -33.4582 46.5356 -33.4582 1.27625 GPRESSAVG: 1416800 22.5952 -12.04 48.1208 -12.6448 16.6267 -31.373 47.3361 -36.164 0.899758 TIMING: 1416800 CPU: 4504.87, 0.00318072/step Wall: 4504.87, 0.00318072/step, 3.16588 hours remaining, 237.382812 MB of memory in use. ENERGY: 1416800 3961.1432 20450.6489 14497.8352 233.9215 -203540.7741 2689.6279 0.0000 0.0000 51932.1818 -109775.4157 298.4550 -161707.5975 -109416.8444 298.3688 235.1844 254.5566 759709.8247 13.4852 13.3739 PRESSURE: 1417000 -10.2553 62.3742 -211.975 62.3742 10.5274 -132.847 -211.974 -132.847 -117.342 GPRESSURE: 1417000 2.61049 44.91 -166.073 -14.2149 25.2169 -60.9257 -216.164 -124.681 -71.5315 PRESSAVG: 1417000 -59.6233 27.4492 17.3037 27.4491 15.5414 -35.9246 17.3037 -35.9247 -16.8363 GPRESSAVG: 1417000 -58.5944 26.5801 17.9115 25.7906 15.9735 -37.3145 18.1573 -31.8497 -17.8906 TIMING: 1417000 CPU: 4505.51, 0.00317851/step Wall: 4505.51, 0.00317851/step, 3.1635 hours remaining, 237.382812 MB of memory in use. ENERGY: 1417000 3970.8151 20367.2219 14498.1192 249.1835 -203574.9181 2411.8063 0.0000 0.0000 51999.9370 -110077.8351 298.8444 -162077.7721 -109725.3074 298.1879 -39.0234 -14.5681 760334.8751 -20.3061 -20.1705 PRESSURE: 1417200 -517.221 -126.144 97.1993 -126.143 -525.973 41.5578 97.1997 41.5579 -650.394 GPRESSURE: 1417200 -471.901 -27.8862 79.7989 -209.956 -541.34 0.911229 89.4971 11.3121 -580.031 PRESSAVG: 1417200 -24.6424 -46.0992 -22.2377 -46.0991 26.9817 1.49168 -22.2378 1.49167 9.28373 GPRESSAVG: 1417200 -25.0618 -47.1128 -22.1728 -44.19 26.162 1.79292 -23.5055 1.34725 10.5921 TIMING: 1417200 CPU: 4506.14, 0.00317028/step Wall: 4506.14, 0.00317028/step, 3.15513 hours remaining, 237.382812 MB of memory in use. ENERGY: 1417200 4090.7334 20158.6313 14544.9455 250.1202 -203581.2808 2602.4176 0.0000 0.0000 51809.8134 -110124.6194 297.7517 -161934.4328 -109765.0815 297.7655 -564.5296 -531.0910 762982.5867 3.8743 3.8975 PRESSURE: 1417400 288.559 -131.745 156.02 -131.745 -115.839 38.3153 156.02 38.3141 4.54929 GPRESSURE: 1417400 224.86 -209.353 96.241 -49.3415 -6.58085 58.5053 207.835 62.0185 46.8047 PRESSAVG: 1417400 -28.9193 -23.6766 -15.3094 -23.6766 -3.69822 9.91817 -15.3095 9.91818 0.967907 GPRESSAVG: 1417400 -28.7661 -23.2042 -16.6862 -25.6077 -3.51381 9.90237 -13.7651 8.47158 0.174181 TIMING: 1417400 CPU: 4506.78, 0.00320051/step Wall: 4506.78, 0.00320051/step, 3.18504 hours remaining, 237.382812 MB of memory in use. ENERGY: 1417400 3903.5937 20348.1962 14504.2304 256.7452 -203796.9457 2830.4817 0.0000 0.0000 51867.6895 -110086.0091 298.0843 -161953.6986 -109719.2612 297.6362 59.0897 88.3614 762687.5863 -10.5499 -10.7019 PRESSURE: 1417600 -209.266 9.31375 74.6729 9.31366 -183.372 101.108 74.6726 101.107 -139.794 GPRESSURE: 1417600 -152.671 36.3715 81.6956 20.1433 -227.373 52.9435 17.3361 133.07 -54.3452 PRESSAVG: 1417600 -3.48972 -58.6947 -24.4242 -58.6947 15.6543 5.51572 -24.4243 5.51571 -14.6208 GPRESSAVG: 1417600 -4.24991 -59.3244 -22.7775 -58.6176 14.7916 4.82835 -23.1755 6.56984 -13.2957 TIMING: 1417600 CPU: 4507.42, 0.00317258/step Wall: 4507.42, 0.00317258/step, 3.15707 hours remaining, 237.382812 MB of memory in use. ENERGY: 1417600 4052.8787 20201.2770 14550.0686 253.1306 -203072.3391 2369.0514 0.0000 0.0000 51716.5550 -109929.3779 297.2158 -161645.9328 -109587.7690 297.6136 -177.4771 -144.7964 762692.8852 -0.8188 -0.9180 PRESSURE: 1417800 -136.771 8.27885 19.4551 8.27801 88.0214 181.974 19.4551 181.974 -62.7492 GPRESSURE: 1417800 -106.331 90.0463 61.7176 41.8303 66.9315 208.227 -12.5356 69.127 2.5073 PRESSAVG: 1417800 -2.91796 -46.6987 37.8733 -46.6987 -21.6799 -42.0436 37.8733 -42.0437 4.83614 GPRESSAVG: 1417800 -3.07231 -47.067 36.95 -44.1819 -20.9815 -41.1653 36.218 -44.1531 4.26691 TIMING: 1417800 CPU: 4508.05, 0.00317382/step Wall: 4508.05, 0.00317382/step, 3.15813 hours remaining, 237.382812 MB of memory in use. ENERGY: 1417800 4102.3221 20503.5718 14471.6356 267.0452 -203310.8720 2517.4814 0.0000 0.0000 51863.5951 -109585.2208 298.0608 -161448.8159 -109235.8397 298.6346 -37.1663 -12.2973 762968.1323 -6.5873 -6.5956 PRESSURE: 1418000 -27.0811 -31.3719 -79.0646 -31.3732 -67.4452 53.5682 -79.0642 53.5686 218.493 GPRESSURE: 1418000 76.6297 22.848 -33.8657 -45.0055 -53.3157 77.5375 -59.4309 117.946 182.699 PRESSAVG: 1418000 -34.7448 -18.6186 24.2244 -18.6185 31.0323 -61.0089 24.2244 -61.009 13.0357 GPRESSAVG: 1418000 -35.4448 -18.3956 25.4494 -18.6813 31.9555 -60.7961 21.9534 -58.9201 12.1048 TIMING: 1418000 CPU: 4508.69, 0.00316935/step Wall: 4508.69, 0.00316935/step, 3.1535 hours remaining, 237.382812 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: 1418000 3987.0569 20487.6854 14502.8340 248.1604 -203520.0572 2650.6216 0.0000 0.0000 52090.8151 -109552.8836 299.3666 -161643.6988 -109198.8834 298.8927 41.3222 68.6710 762885.0036 3.1077 2.8718 PRESSURE: 1418200 -30.6546 23.5497 -91.1808 23.549 -139.766 -118.816 -91.1809 -118.815 -139.783 GPRESSURE: 1418200 -60.8628 -54.3521 -68.7799 93.5381 -111.656 -111.242 -58.5801 -1.24306 -66.8134 PRESSAVG: 1418200 -41.4441 -4.59376 -37.6006 -4.59371 14.0099 10.1295 -37.6005 10.1295 -51.1065 GPRESSAVG: 1418200 -40.5415 -4.68476 -37.664 -5.39474 12.0441 10.4009 -34.7974 11.4812 -49.99 TIMING: 1418200 CPU: 4509.32, 0.00318022/step Wall: 4509.32, 0.00318022/step, 3.16414 hours remaining, 237.382812 MB of memory in use. ENERGY: 1418200 3971.0583 20419.5269 14482.4581 242.2495 -203189.5532 2521.7908 0.0000 0.0000 51956.0487 -109596.4209 298.5921 -161552.4696 -109237.7839 298.9319 -103.4010 -79.7774 762364.8022 -26.1803 -26.1625 PRESSURE: 1418400 199.159 -252.682 -23.4252 -252.681 -141.446 -20.8458 -23.4248 -20.8466 161.597 GPRESSURE: 1418400 149.907 -271.407 78.5305 -202.976 -126.336 105.685 -76.7541 -2.63123 287.395 PRESSAVG: 1418400 37.4446 -59.8908 8.66301 -59.8907 -27.8773 -24.6601 8.66306 -24.6601 14.3833 GPRESSAVG: 1418400 35.5357 -59.9171 8.59351 -59.6123 -25.7005 -26.0826 9.17374 -26.0191 13.6519 TIMING: 1418400 CPU: 4509.96, 0.00319629/step Wall: 4509.96, 0.00319629/step, 3.17995 hours remaining, 237.382812 MB of memory in use. ENERGY: 1418400 3988.2982 20662.2101 14561.2257 244.0900 -203405.5866 2706.5329 0.0000 0.0000 51759.2439 -109483.9858 297.4611 -161243.2297 -109128.1172 298.7341 73.1034 103.6553 762911.1929 7.9836 7.8290 PRESSURE: 1418600 45.559 -58.2514 152.929 -58.2504 -1.5583 91.8952 152.929 91.8962 -36.6915 GPRESSURE: 1418600 161.922 -98.7913 128.817 -21.9689 -38.5044 30.1285 64.5396 224.183 -38.5343 PRESSAVG: 1418600 -55.2555 -39.5095 -26.2414 -39.5095 64.3841 -48.4056 -26.2414 -48.4056 18.3274 GPRESSAVG: 1418600 -54.4656 -39.0389 -26.3728 -40.7788 64.1894 -47.6655 -27.399 -47.3037 17.8528 TIMING: 1418600 CPU: 4510.6, 0.00317895/step Wall: 4510.6, 0.00317895/step, 3.16252 hours remaining, 237.382812 MB of memory in use. ENERGY: 1418600 4071.8868 20322.9595 14463.9022 262.8128 -203464.5129 2841.9197 0.0000 0.0000 52083.1504 -109417.8816 299.3226 -161501.0319 -109058.3862 299.0513 2.4364 28.2945 761689.7254 9.1520 9.1922 PRESSURE: 1418800 -15.5729 48.3424 -1.09927 48.3412 -16.966 -35.9009 -1.09939 -35.8997 134.159 GPRESSURE: 1418800 -5.82524 14.8295 54.675 -9.0389 103.818 34.7969 -121.078 -55.6958 116.267 PRESSAVG: 1418800 -13.1786 1.5115 6.62032 1.51147 30.6828 -39.9426 6.62033 -39.9427 0.0661864 GPRESSAVG: 1418800 -12.7597 -0.991713 6.34012 1.09616 30.5649 -38.7063 6.76999 -41.3628 0.767424 TIMING: 1418800 CPU: 4511.23, 0.00318302/step Wall: 4511.23, 0.00318302/step, 3.1664 hours remaining, 237.382812 MB of memory in use. ENERGY: 1418800 3996.9920 20448.7018 14461.3081 247.8962 -203756.8473 2990.8106 0.0000 0.0000 52313.3389 -109297.7994 300.6455 -161611.1384 -108936.8053 299.3238 33.8735 71.4202 762917.0685 5.8568 6.1909 PRESSURE: 1419000 -224.968 -46.0276 -8.12543 -46.0281 88.9161 -155.409 -8.12591 -155.409 -499.904 GPRESSURE: 1419000 -155.482 -137.982 -36.2578 -24.9924 98.2534 -89.9795 20.726 -244.041 -496.084 PRESSAVG: 1419000 4.95877 -62.2567 -66.2387 -62.2567 15.605 27.6625 -66.2387 27.6625 -1.79908 GPRESSAVG: 1419000 4.36316 -60.3426 -65.9795 -60.4125 14.5472 27.924 -66.5516 27.1719 -0.173179 TIMING: 1419000 CPU: 4511.86, 0.00315205/step Wall: 4511.86, 0.00315205/step, 3.13542 hours remaining, 237.382812 MB of memory in use. ENERGY: 1419000 3950.4524 20555.1147 14475.1829 224.5808 -203261.2558 2645.7210 0.0000 0.0000 52023.0407 -109387.1632 298.9771 -161410.2039 -109035.3048 299.1322 -211.9854 -184.4374 764318.0227 6.2549 6.2457 PRESSURE: 1419200 15.3882 -52.6468 -93.1932 -52.6475 37.7007 -13.3771 -93.1934 -13.3778 5.81516 GPRESSURE: 1419200 7.29944 -133.182 -63.3657 37.047 59.6003 48.018 61.6392 -48.4279 46.8865 PRESSAVG: 1419200 -6.76201 -22.72 -20.4788 -22.72 -39.2771 -3.22626 -20.4788 -3.22633 23.7624 GPRESSAVG: 1419200 -5.3327 -22.7946 -20.7294 -24.1045 -39.3537 -5.15688 -16.8133 -2.44417 21.8921 TIMING: 1419200 CPU: 4512.5, 0.00319635/step Wall: 4512.5, 0.00319635/step, 3.1793 hours remaining, 237.382812 MB of memory in use. ENERGY: 1419200 3968.1766 20519.5465 14503.0709 245.8624 -203274.9722 2645.5736 0.0000 0.0000 52090.2482 -109302.4940 299.3634 -161392.7421 -108938.2275 298.7990 19.6347 37.9287 762442.5471 -7.4256 -7.5981 PRESSURE: 1419400 -249.422 -79.8001 -164.845 -79.7999 3.26258 13.8004 -164.844 13.8004 -367.238 GPRESSURE: 1419400 -163.066 -96.5581 -197.778 -77.6393 23.0158 109.696 -116.683 46.7669 -380.74 PRESSAVG: 1419400 0.504348 -4.98367 -9.36754 -4.98363 12.1277 -20.1717 -9.36757 -20.1717 -3.00876 GPRESSAVG: 1419400 -2.05157 -6.46057 -10.2992 -3.51849 13.8013 -19.3995 -11.5877 -19.5176 -2.00396 TIMING: 1419400 CPU: 4513.14, 0.0031758/step Wall: 4513.14, 0.0031758/step, 3.15868 hours remaining, 237.382812 MB of memory in use. ENERGY: 1419400 4051.3352 20574.1494 14449.7225 242.0026 -203303.0039 2673.7570 0.0000 0.0000 51988.5672 -109323.4701 298.7790 -161312.0372 -108963.7392 299.3075 -204.4658 -173.5966 764796.2451 3.2078 3.2486 PRESSURE: 1419600 -116.595 -224.842 33.3453 -224.842 72.13 208.413 33.345 208.413 94.6523 GPRESSURE: 1419600 -163.358 -229.48 143.388 -137.489 203.095 200.708 118.971 12.3947 88.0485 PRESSAVG: 1419600 -49.2958 -14.3798 -30.1726 -14.3799 25.6229 -11.0855 -30.1726 -11.0855 12.3739 GPRESSAVG: 1419600 -48.2454 -13.3985 -29.7864 -13.5379 25.5323 -10.2143 -30.4123 -12.4124 11.3429 TIMING: 1419600 CPU: 4513.77, 0.00317413/step Wall: 4513.77, 0.00317413/step, 3.15685 hours remaining, 237.382812 MB of memory in use. ENERGY: 1419600 4036.5198 20499.9286 14484.7697 255.1124 -203249.8623 2593.4009 0.0000 0.0000 52098.0960 -109282.0348 299.4085 -161380.1309 -108923.5835 299.1687 16.7291 42.5950 763007.5818 -3.7663 -3.7900 PRESSURE: 1419800 -355.995 -24.9353 -2.48123 -24.9351 -30.3732 174.926 -2.48127 174.926 -29.0026 GPRESSURE: 1419800 -227.246 31.4605 -69.9353 -87.3242 -52.9562 183.841 -26.3612 369.102 -32.2369 PRESSAVG: 1419800 22.8246 -23.1301 -38.6355 -23.1302 29.3312 -1.78541 -38.6355 -1.7854 -15.9188 GPRESSAVG: 1419800 24.2462 -22.0418 -38.7244 -24.0012 27.8164 -1.32894 -37.1676 -0.841247 -16.0779 TIMING: 1419800 CPU: 4514.41, 0.00319079/step Wall: 4514.41, 0.00319079/step, 3.17324 hours remaining, 237.382812 MB of memory in use. ENERGY: 1419800 4015.3589 20489.7397 14584.4311 256.9975 -203288.0167 2608.1189 0.0000 0.0000 51840.0395 -109493.3311 297.9254 -161333.3705 -109128.9965 299.3857 -138.4570 -104.1463 763175.3174 12.0790 11.9949 PRESSURE: 1420000 -94.5027 -179.345 64.435 -179.344 -210.741 190.463 64.435 190.462 27.264 GPRESSURE: 1420000 -16.6947 -123.748 23.9506 -71.8595 -162.024 149.979 41.5989 69.4016 -34.2973 PRESSAVG: 1420000 24.4289 -45.4764 -17.214 -45.4765 1.88858 7.82874 -17.214 7.82877 2.81545 GPRESSAVG: 1420000 24.2398 -47.3957 -17.515 -44.8928 2.40405 6.71855 -19.4417 6.46301 2.23144 TIMING: 1420000 CPU: 4515.05, 0.00320189/step Wall: 4515.05, 0.00320189/step, 3.1841 hours remaining, 237.382812 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: 1420000 4077.6950 20545.3009 14461.3311 246.5582 -203752.2735 2956.1857 0.0000 0.0000 52063.0979 -109402.1048 299.2073 -161465.2027 -109049.7067 299.1364 -92.6601 -71.0052 763265.4604 9.7110 9.6251 PRESSURE: 1420200 32.8023 -205.776 -43.9563 -205.777 -1.81099 -164.526 -43.9573 -164.525 220.78 GPRESSURE: 1420200 97.3648 -216.768 -5.54078 -214.509 11.3602 -101.466 45.4084 -22.6025 217.85 PRESSAVG: 1420200 21.2218 12.4294 39.4184 12.4294 -9.59132 -20.672 39.4184 -20.6719 15.4454 GPRESSAVG: 1420200 20.4132 12.3925 38.3748 12.7581 -9.98557 -20.5339 41.9939 -19.8477 16.212 TIMING: 1420200 CPU: 4515.69, 0.00318225/step Wall: 4515.69, 0.00318225/step, 3.16439 hours remaining, 237.382812 MB of memory in use. ENERGY: 1420200 3934.0992 20591.6172 14481.1420 257.6930 -203394.7192 2519.1727 0.0000 0.0000 52046.7874 -109564.2076 299.1136 -161610.9950 -109211.7148 299.2850 83.9236 108.8584 762524.4827 9.0253 8.8799 LDB: ============= START OF LOAD BALANCING ============== 4528.14 LDB: ============== END OF LOAD BALANCING =============== 4528.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4528.15 LDB: ============= START OF LOAD BALANCING ============== 4528.46 LDB: Largest compute 7059 load 0.035717 is 18.3% of average load 0.195012 LDB: Average compute 0.004426 is 2.3% of average load 0.195012 LDB: TIME 4528.47 LOAD: AVG 0.195012 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4528.47 LOAD: AVG 0.195012 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: TIME 4528.47 LOAD: AVG 0.195012 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: ============== END OF LOAD BALANCING =============== 4528.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4528.47 PRESSURE: 1420400 230.151 -58.7287 -96.0902 -58.7278 -262.883 314.483 -96.0897 314.483 216.642 GPRESSURE: 1420400 210.268 79.3087 -72.2714 -35.867 -194.606 240.498 -132.839 276.183 258.249 PRESSAVG: 1420400 -9.17782 0.48158 -28.967 0.481616 -16.4951 -58.9304 -28.9671 -58.9304 9.41427 GPRESSAVG: 1420400 -9.01537 2.79017 -28.2083 -1.59278 -15.2202 -57.593 -27.4136 -60.5917 8.40249 TIMING: 1420400 CPU: 4516.34, 0.00324456/step Wall: 4516.34, 0.00324456/step, 3.22617 hours remaining, 238.925781 MB of memory in use. ENERGY: 1420400 3980.0824 20452.4694 14533.0804 241.6736 -203598.4339 2816.5694 0.0000 0.0000 51698.4460 -109876.1125 297.1117 -161574.5585 -109521.5966 298.3045 61.3035 91.3033 763059.4301 -5.4196 -5.2777 PRESSURE: 1420600 75.2225 -30.2152 269.937 -30.2161 -248.765 -136.039 269.936 -136.038 348.255 GPRESSURE: 1420600 51.716 95.5288 309.02 -25.2243 -138.179 -74.5368 245.111 -152.414 350.858 PRESSAVG: 1420600 -47.4546 -18.1792 47.7963 -18.1792 44.5092 -13.1647 47.7963 -13.1647 -12.6545 GPRESSAVG: 1420600 -48.0215 -18.6129 50.2391 -16.329 44.3844 -15.2962 44.0149 -11.8331 -11.9895 TIMING: 1420600 CPU: 4516.98, 0.00320416/step Wall: 4516.98, 0.00320416/step, 3.18582 hours remaining, 238.925781 MB of memory in use. ENERGY: 1420600 3966.3262 20406.0422 14515.8694 262.5526 -203193.4295 2505.8677 0.0000 0.0000 51744.4809 -109792.2904 297.3762 -161536.7713 -109433.9366 297.8824 58.2373 88.1315 762500.3605 -5.2000 -5.2089 PRESSURE: 1420800 321.483 -120.03 226.894 -120.03 -125.104 92.8738 226.894 92.8736 350.888 GPRESSURE: 1420800 314.339 -106.638 201.521 -152.689 -37.1654 183.936 130.847 44.851 352.795 PRESSAVG: 1420800 31.8909 -70.5338 -6.70482 -70.5338 29.8586 -25.8981 -6.70478 -25.898 5.32751 GPRESSAVG: 1420800 31.9209 -72.0227 -7.10131 -70.1245 29.7329 -24.1627 -5.83146 -27.0847 5.84779 TIMING: 1420800 CPU: 4517.62, 0.00321196/step Wall: 4517.62, 0.00321196/step, 3.1934 hours remaining, 238.925781 MB of memory in use. ENERGY: 1420800 3951.0832 20555.6950 14518.3428 249.7741 -203734.9042 2770.1787 0.0000 0.0000 51875.7257 -109814.1047 298.1305 -161689.8304 -109460.4815 297.9588 182.4225 209.9895 760403.4841 22.3590 22.5005 PRESSURE: 1421000 -9.9362 278.815 -176.166 278.816 -165.09 -145.859 -176.166 -145.86 -435.646 GPRESSURE: 1421000 20.7941 184.833 -119.359 298.561 -77.0356 -20.766 -145.912 -287.749 -486.067 PRESSAVG: 1421000 -0.860068 5.71956 -8.48979 5.71957 3.966 -35.0285 -8.48988 -35.0286 -3.6344 GPRESSAVG: 1421000 0.339645 7.04439 -10.8481 4.26808 3.51764 -37.4762 -8.69293 -34.105 -4.66894 TIMING: 1421000 CPU: 4518.26, 0.00318824/step Wall: 4518.26, 0.00318824/step, 3.16964 hours remaining, 238.925781 MB of memory in use. ENERGY: 1421000 3941.8923 20437.8700 14586.7055 253.9713 -203451.5525 2549.7164 0.0000 0.0000 51984.7857 -109696.6113 298.7573 -161681.3970 -109336.1707 298.4802 -203.5574 -180.7695 762951.0496 -0.1762 -0.2705 PRESSURE: 1421200 266.585 -116.349 231.966 -116.349 93.5293 85.9588 231.965 85.9589 88.55 GPRESSURE: 1421200 220.471 -125.55 112.801 -69.0428 176.693 -7.45952 50.5288 139.746 134.129 PRESSAVG: 1421200 -38.929 22.5614 -8.28502 22.5615 -3.23632 -15.5662 -8.28504 -15.5663 11.6857 GPRESSAVG: 1421200 -38.9203 21.9805 -7.66806 23.4394 -3.05502 -15.4413 -8.63656 -16.7533 12.2421 TIMING: 1421200 CPU: 4518.89, 0.00317455/step Wall: 4518.89, 0.00317455/step, 3.15585 hours remaining, 238.925781 MB of memory in use. ENERGY: 1421200 3852.1740 20545.4180 14584.2303 246.1866 -203668.2163 2869.6064 0.0000 0.0000 51814.8492 -109755.7518 297.7807 -161570.6010 -109400.2524 298.0989 149.5546 177.0976 762800.1855 -10.1599 -9.9111 PRESSURE: 1421400 -39.5069 -104.752 1.6046 -104.751 358.28 -24.8194 1.60516 -24.8204 125.121 GPRESSURE: 1421400 46.6337 -33.2244 2.83437 -150.897 264.562 -81.7957 -74.5592 117.168 205.887 PRESSAVG: 1421400 -15.7225 4.14125 -12.2349 4.14121 29.4814 -15.9898 -12.2349 -15.9899 -3.32191 GPRESSAVG: 1421400 -16.8847 2.80763 -10.8269 2.87942 30.29 -15.2043 -10.2574 -13.2201 -2.60236 TIMING: 1421400 CPU: 4519.53, 0.00318082/step Wall: 4519.53, 0.00318082/step, 3.16192 hours remaining, 238.925781 MB of memory in use. ENERGY: 1421400 3901.5952 20486.2588 14514.9955 231.2077 -203006.2898 2375.6032 0.0000 0.0000 51813.3696 -109683.2598 297.7721 -161496.6294 -109325.4634 298.3277 147.9648 172.3609 762306.9979 3.4790 3.6010 PRESSURE: 1421600 -56.6569 51.6734 -50.9181 51.6737 176.449 119.618 -50.9183 119.617 568.944 GPRESSURE: 1421600 60.8854 -56.0416 -111.256 170.711 233.064 116.792 40.2422 -176.756 495.749 PRESSAVG: 1421600 2.75033 36.8098 -16.0623 36.8099 14.3066 10.4008 -16.0624 10.4009 5.50003 GPRESSAVG: 1421600 2.25748 36.7863 -17.0683 37.483 13.4704 11.2049 -17.9942 8.54154 5.81791 TIMING: 1421600 CPU: 4520.17, 0.00320387/step Wall: 4520.17, 0.00320387/step, 3.18465 hours remaining, 238.925781 MB of memory in use. ENERGY: 1421600 3875.4967 20365.6354 14528.7359 229.6367 -203434.4068 2818.0567 0.0000 0.0000 52013.3205 -109603.5248 298.9213 -161616.8453 -109257.3845 298.3712 229.5787 263.2329 760802.7587 7.5190 7.1819 PRESSURE: 1421800 22.2046 156.622 116.986 156.621 252.891 -232.988 116.985 -232.988 -141.622 GPRESSURE: 1421800 109.165 97.7461 32.2296 135.011 339.687 -138.012 157.881 -116.049 -211.297 PRESSAVG: 1421800 -62.4405 -3.00958 8.9309 -3.00959 41.8073 -33.9468 8.93087 -33.9469 -36.401 GPRESSAVG: 1421800 -60.8424 -3.46738 8.22703 -5.40113 42.4692 -35.53 11.6013 -34.9576 -38.2312 TIMING: 1421800 CPU: 4520.81, 0.00318092/step Wall: 4520.81, 0.00318092/step, 3.16166 hours remaining, 238.925781 MB of memory in use. ENERGY: 1421800 4022.5909 20455.7753 14460.2267 243.9001 -203822.6825 2783.9560 0.0000 0.0000 52168.5962 -109687.6372 299.8136 -161856.2334 -109327.3351 298.6376 44.4912 79.1848 762287.3462 -19.0114 -18.8681 PRESSURE: 1422000 188.058 45.9686 25.3729 45.9683 -33.5439 148.99 25.3733 148.99 232.241 GPRESSURE: 1422000 262.375 -56.8478 -145.132 -18.4617 33.3849 230.523 -111.196 160.299 158.359 PRESSAVG: 1422000 -3.0082 14.099 -49.0942 14.099 33.8951 -28.8477 -49.0942 -28.8477 17.9764 GPRESSAVG: 1422000 -2.66392 15.3943 -47.223 14.7302 33.2423 -28.2854 -52.6022 -26.9874 17.8005 TIMING: 1422000 CPU: 4521.44, 0.00318948/step Wall: 4521.44, 0.00318948/step, 3.16999 hours remaining, 238.925781 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: 1422000 3938.0247 20595.0076 14454.5848 260.4346 -203922.6684 2844.9918 0.0000 0.0000 52030.5182 -109799.1066 299.0201 -161829.6249 -109449.3696 298.9055 128.9185 151.3729 760859.4779 16.2878 16.1263 PRESSURE: 1422200 28.7858 56.3602 204.838 56.3603 -91.129 40.9892 204.838 40.9893 -394.607 GPRESSURE: 1422200 159.379 113.418 304.946 46.0842 -94.2261 138.63 71.0444 18.3012 -432.16 PRESSAVG: 1422200 32.3922 -10.8718 -12.8458 -10.8718 4.87715 -43.2643 -12.8459 -43.2643 -18.9571 GPRESSAVG: 1422200 32.3832 -12.3573 -13.218 -8.75182 4.05179 -42.6415 -11.9589 -45.3621 -18.3132 TIMING: 1422200 CPU: 4522.08, 0.00318153/step Wall: 4522.08, 0.00318153/step, 3.16191 hours remaining, 238.925781 MB of memory in use. ENERGY: 1422200 4098.2005 20559.5320 14521.3105 259.6575 -203808.2620 2923.1129 0.0000 0.0000 51521.7657 -109924.6830 296.0963 -161446.4486 -109569.9447 298.3883 -152.3168 -122.3356 761552.9969 6.1041 6.0406 PRESSURE: 1422400 -119.249 -67.8659 -325.889 -67.8661 -28.6343 -193.038 -325.889 -193.038 154.157 GPRESSURE: 1422400 -190.365 9.59089 -348.745 -86.6557 119.151 -227.631 -292.673 -157.563 169.675 PRESSAVG: 1422400 -9.63735 5.01007 -16.637 5.01007 45.2944 -70.285 -16.637 -70.2849 5.12239 GPRESSAVG: 1422400 -11.139 5.77762 -16.8184 4.26013 46.4991 -71.0169 -14.9632 -68.0534 5.28814 TIMING: 1422400 CPU: 4522.72, 0.00319706/step Wall: 4522.72, 0.00319706/step, 3.17717 hours remaining, 238.925781 MB of memory in use. ENERGY: 1422400 4015.8448 20338.2994 14504.0181 229.0132 -203763.8421 2800.0741 0.0000 0.0000 52008.9887 -109867.6037 298.8964 -161876.5924 -109502.4983 298.4300 2.0913 32.8203 763273.2545 13.5931 13.5494 PRESSURE: 1422600 -122.561 -146.854 65.7915 -146.854 -329.783 69.3767 65.7914 69.3771 226.157 GPRESSURE: 1422600 -128.82 -235.425 47.9146 -145.927 -141.503 44.9976 95.5089 9.67236 141.808 PRESSAVG: 1422600 -9.37872 -16.1901 -2.95401 -16.1901 42.3111 -50.3425 -2.95404 -50.3425 -11.7011 GPRESSAVG: 1422600 -10.0739 -16.7805 -3.54066 -16.5301 42.4714 -50.9053 -5.22066 -49.628 -12.0459 TIMING: 1422600 CPU: 4523.35, 0.00315931/step Wall: 4523.35, 0.00315931/step, 3.13948 hours remaining, 238.925781 MB of memory in use. ENERGY: 1422600 3938.0483 20313.5912 14458.1900 238.9071 -203042.2762 2203.0068 0.0000 0.0000 52063.7015 -109826.8313 299.2108 -161890.5328 -109457.2662 297.9388 -75.3958 -42.8384 762147.7244 7.0771 6.7839 PRESSURE: 1422800 -129.86 129.492 251.946 129.493 87.8134 -40.3265 251.946 -40.3261 -160.435 GPRESSURE: 1422800 -94.964 113.898 206.55 135.241 56.9168 -98.4554 264.14 7.51674 -84.0417 PRESSAVG: 1422800 4.70582 -53.5316 23.8131 -53.5317 -17.3015 -10.7777 23.8132 -10.7777 11.1386 GPRESSAVG: 1422800 4.9245 -51.0795 23.7722 -54.8259 -19.446 -12.0507 24.3909 -11.373 13.5283 TIMING: 1422800 CPU: 4523.98, 0.00316119/step Wall: 4523.98, 0.00316119/step, 3.14116 hours remaining, 238.925781 MB of memory in use. ENERGY: 1422800 3939.9159 20454.6589 14527.3498 238.6622 -203411.0927 2539.6837 0.0000 0.0000 51833.4853 -109877.3369 297.8878 -161710.8222 -109520.2409 298.1696 -67.4937 -40.6963 762943.6965 -0.4857 -0.3311 PRESSURE: 1423000 -115.172 59.7033 -64.5115 59.7039 359.685 216.688 -64.5109 216.688 -195.365 GPRESSURE: 1423000 20.978 -12.7445 -2.06856 103.117 331.427 248.731 -172.349 135.838 -206.908 PRESSAVG: 1423000 0.769824 -68.9515 -3.42801 -68.9516 29.2611 -12.9852 -3.42808 -12.9851 -2.75983 GPRESSAVG: 1423000 1.37828 -72.3636 -4.0747 -66.1482 30.3726 -9.85747 -2.67167 -12.7586 -4.1146 TIMING: 1423000 CPU: 4524.62, 0.00319799/step Wall: 4524.62, 0.00319799/step, 3.17756 hours remaining, 238.925781 MB of memory in use. ENERGY: 1423000 3941.8063 20406.9176 14503.5434 260.6839 -203850.1632 2943.4773 0.0000 0.0000 51929.3141 -109864.4205 298.4385 -161793.7347 -109496.9544 298.4473 16.3827 48.4991 760247.4361 9.0904 9.2121 PRESSURE: 1423200 -98.1601 29.5534 179.637 29.5537 237.092 105.017 179.636 105.017 281.205 GPRESSURE: 1423200 -107.107 35.8909 280.847 -25.8471 322.342 -3.16137 154.52 127.176 275.079 PRESSAVG: 1423200 30.94 -80.7959 21.5767 -80.7959 2.2022 -12.3577 21.5767 -12.3577 14.0507 GPRESSAVG: 1423200 30.0402 -80.6634 22.2248 -82.6716 2.9402 -14.2622 20.4422 -13.7468 14.2178 TIMING: 1423200 CPU: 4525.26, 0.00317767/step Wall: 4525.26, 0.00317767/step, 3.1572 hours remaining, 238.925781 MB of memory in use. ENERGY: 1423200 4006.6814 20454.9061 14466.5359 232.4105 -203460.8954 2612.4647 0.0000 0.0000 51988.2351 -109699.6617 298.7771 -161687.8968 -109329.3238 298.3845 140.0455 163.4380 761755.3101 15.7310 15.7327 PRESSURE: 1423400 25.6445 -102.812 100.261 -102.812 107.083 -6.81679 100.262 -6.81691 -223.867 GPRESSURE: 1423400 33.5518 -80.2659 163.787 -135.716 173.317 1.66663 127.838 -125.452 -206.502 PRESSAVG: 1423400 -15.1347 -17.557 27.4122 -17.557 1.94936 -34.4745 27.4122 -34.4745 -23.7645 GPRESSAVG: 1423400 -14.3234 -16.5436 26.9523 -15.5044 0.399157 -34.1779 27.2311 -33.4087 -23.3411 TIMING: 1423400 CPU: 4525.89, 0.00314839/step Wall: 4525.89, 0.00314839/step, 3.12792 hours remaining, 238.925781 MB of memory in use. ENERGY: 1423400 3968.9261 20259.4214 14441.5260 239.2450 -203139.6339 2476.1780 0.0000 0.0000 51968.1200 -109786.2173 298.6615 -161754.3373 -109421.7802 298.5963 -30.3798 0.1223 761130.7505 -12.3166 -12.4218 PRESSURE: 1423600 -35.9035 114.246 -144.505 114.246 173.755 -29.6748 -144.503 -29.6746 -290.643 GPRESSURE: 1423600 -114.573 115.872 -109.161 88.9608 266.922 -45.3239 -78.3999 18.31 -237.816 PRESSAVG: 1423600 -56.4066 -52.4341 27.504 -52.4341 22.9998 29.1094 27.504 29.1094 -25.6237 GPRESSAVG: 1423600 -56.7091 -51.4883 27.7899 -54.1707 23.7596 28.7876 28.8675 27.1875 -26.7021 TIMING: 1423600 CPU: 4526.52, 0.00317142/step Wall: 4526.52, 0.00317142/step, 3.15063 hours remaining, 238.925781 MB of memory in use. ENERGY: 1423600 3949.1055 20493.9487 14428.3512 247.1103 -203459.4694 2624.0266 0.0000 0.0000 52090.5053 -109626.4219 299.3648 -161716.9271 -109254.2739 298.5851 -50.9307 -28.4888 761470.7221 -19.6769 -19.8839 PRESSURE: 1423800 -7.22198 -66.4037 0.351936 -66.4032 -45.751 -72.9524 0.352026 -72.9519 114.358 GPRESSURE: 1423800 22.1466 35.6518 88.5039 -37.9855 -19.5586 -11.9648 -45.389 -192.431 124.21 PRESSAVG: 1423800 -39.8618 -30.7732 11.0736 -30.773 29.4716 -29.9246 11.0736 -29.9245 4.66883 GPRESSAVG: 1423800 -39.9289 -30.9352 11.2423 -29.9211 29.8356 -29.3369 10.67 -27.836 4.23569 TIMING: 1423800 CPU: 4527.16, 0.00319343/step Wall: 4527.16, 0.00319343/step, 3.17232 hours remaining, 238.925781 MB of memory in use. ENERGY: 1423800 3991.2340 20648.3168 14474.3139 244.7819 -203462.3802 2617.5896 0.0000 0.0000 51971.8643 -109514.2798 298.6830 -161486.1440 -109148.1682 299.2484 20.4618 42.2662 761366.7856 -1.9071 -1.9525 PRESSURE: 1424000 -376.757 -74.5875 312.402 -74.5875 -84.7656 31.2571 312.402 31.2566 -114.008 GPRESSURE: 1424000 -395.047 -76.8121 309.561 -151.542 31.6327 16.2331 242.69 -2.8192 -118.929 PRESSAVG: 1424000 -66.1556 -11.3737 -22.2081 -11.3737 71.817 39.1229 -22.2081 39.1228 -1.45836 GPRESSAVG: 1424000 -65.6571 -11.708 -22.5769 -11.5261 71.1113 40.6035 -21.6489 36.6414 -1.18637 TIMING: 1424000 CPU: 4527.8, 0.00316764/step Wall: 4527.8, 0.00316764/step, 3.14652 hours remaining, 238.925781 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: 1424000 3903.3528 20430.1091 14473.4092 246.6238 -203257.4337 2690.0610 0.0000 0.0000 51931.4227 -109582.4551 298.4506 -161513.8778 -109216.0019 299.3538 -191.8437 -160.7812 763032.8356 1.4010 1.4226 PRESSURE: 1424200 -106.851 0.0906064 -35.0533 0.0907433 74.7286 -113.713 -35.0533 -113.712 329.095 GPRESSURE: 1424200 -52.3133 -12.5223 -121.198 22.7005 124.491 -169.935 -58.4703 -53.5743 327.078 PRESSAVG: 1424200 -79.3277 -74.0418 60.0263 -74.0419 72.2181 43.9416 60.0263 43.9416 -6.1041 GPRESSAVG: 1424200 -80.5361 -73.5075 60.2291 -73.3627 73.8676 42.4518 59.3613 45.3901 -5.99743 TIMING: 1424200 CPU: 4528.43, 0.00318321/step Wall: 4528.43, 0.00318322/step, 3.16182 hours remaining, 238.925781 MB of memory in use. ENERGY: 1424200 3916.9678 20431.3890 14413.1743 244.6372 -203546.1934 2900.0405 0.0000 0.0000 51838.4497 -109801.5349 297.9163 -161639.9846 -109440.4220 298.6605 98.9907 133.0855 762242.0780 -4.4046 -4.2220 LDB: ============= START OF LOAD BALANCING ============== 4540.89 LDB: ============== END OF LOAD BALANCING =============== 4540.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4540.89 LDB: ============= START OF LOAD BALANCING ============== 4541.21 LDB: Largest compute 7028 load 0.035944 is 18.4% of average load 0.195017 LDB: Average compute 0.004429 is 2.3% of average load 0.195017 LDB: TIME 4541.21 LOAD: AVG 0.195017 MAX 0.212228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.824 MB LDB: TIME 4541.21 LOAD: AVG 0.195017 MAX 0.212228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.824 MB LDB: TIME 4541.21 LOAD: AVG 0.195017 MAX 0.212228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.824 MB LDB: ============== END OF LOAD BALANCING =============== 4541.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4541.22 PRESSURE: 1424400 -377.192 -68.6502 -73.5222 -68.6503 -4.98491 -168.548 -73.5226 -168.549 77.7834 GPRESSURE: 1424400 -264.695 -28.5266 -61.9024 -183.851 13.7508 -105.863 35.685 -128.585 22.0789 PRESSAVG: 1424400 -50.3277 -67.9807 -2.10747 -67.9808 85.2887 10.4979 -2.10742 10.4979 -4.72536 GPRESSAVG: 1424400 -49.5122 -67.6608 -2.76237 -68.1188 83.3949 10.5851 -0.607254 11.0728 -3.74287 TIMING: 1424400 CPU: 4529.08, 0.00325819/step Wall: 4529.08, 0.00325819/step, 3.23611 hours remaining, 238.082031 MB of memory in use. ENERGY: 1424400 3933.1766 20404.2567 14518.6031 245.5171 -203357.4328 2492.0242 0.0000 0.0000 52216.2810 -109547.5741 300.0877 -161763.8551 -109174.5986 299.2095 -101.4647 -76.2883 762648.7295 10.0786 10.0466 PRESSURE: 1424600 -115.65 -100.275 -3.53155 -100.275 -84.3264 129.788 -3.53123 129.788 -5.86605 GPRESSURE: 1424600 -106.095 -81.1753 -106.612 -9.79422 -16.3376 101.194 52.8613 128.164 11.1531 PRESSAVG: 1424600 -57.606 -52.6756 39.209 -52.6755 14.6705 -6.31094 39.209 -6.31093 -2.20911 GPRESSAVG: 1424600 -58.0941 -53.0556 38.8022 -54.1516 14.7602 -4.12152 36.7358 -5.9781 -2.68359 TIMING: 1424600 CPU: 4529.72, 0.00318616/step Wall: 4529.72, 0.00318616/step, 3.16439 hours remaining, 238.285156 MB of memory in use. ENERGY: 1424600 4005.6724 20359.8319 14561.6203 258.0821 -203307.3059 2666.6913 0.0000 0.0000 51965.5038 -109489.9041 298.6465 -161455.4078 -109124.4075 299.3806 -68.6140 -37.0931 761605.0647 -15.0482 -15.3392 PRESSURE: 1424800 257.772 143.225 -47.0203 143.225 232.407 189.669 -47.0209 189.67 -186.781 GPRESSURE: 1424800 234.651 101.673 -68.6546 93.8416 147.396 154.984 15.3181 277.843 0.314899 PRESSAVG: 1424800 -41.892 -33.9403 -16.6154 -33.9402 26.8969 41.0256 -16.6154 41.0257 -13.9039 GPRESSAVG: 1424800 -41.9329 -35.4974 -16.9072 -31.8147 27.1094 39.3059 -15.3079 40.9113 -14.0507 TIMING: 1424800 CPU: 4530.36, 0.00319352/step Wall: 4530.36, 0.00319352/step, 3.17152 hours remaining, 238.285156 MB of memory in use. ENERGY: 1424800 3915.9987 20564.2179 14501.9478 252.0167 -203527.8529 2737.9800 0.0000 0.0000 52151.7656 -109403.9262 299.7169 -161555.6918 -109047.1432 299.2623 101.1330 127.4538 761859.5280 -9.6330 -9.6247 PRESSURE: 1425000 -53.9902 -91.8263 35.9568 -91.827 259.061 -12.3503 35.956 -12.3507 -205.077 GPRESSURE: 1425000 -33.5871 -34.0881 43.0879 -58.177 291.94 -36.3691 -96.8363 140.984 -172.933 PRESSAVG: 1425000 30.3495 -35.7423 41.1365 -35.7424 36.5962 20.2154 41.1365 20.2154 -12.2753 GPRESSAVG: 1425000 31.2154 -33.2023 42.5463 -37.6785 34.8505 18.7925 39.7209 21.2623 -11.3016 TIMING: 1425000 CPU: 4530.99, 0.00316922/step Wall: 4530.99, 0.00316921/step, 3.14721 hours remaining, 238.285156 MB of memory in use. ENERGY: 1425000 4008.9183 20510.4752 14558.8585 230.0497 -203837.9873 3076.4504 0.0000 0.0000 52294.9266 -109158.3086 300.5397 -161453.2352 -108788.5385 299.6784 -0.0019 28.4733 762268.5488 18.2235 18.2548 PRESSURE: 1425200 5.23633 -61.6384 208.82 -61.6383 1.34618 -107.907 208.82 -107.907 139.883 GPRESSURE: 1425200 35.5555 -81.3706 241.631 -96.441 27.3686 -125.927 78.104 -137.478 156.159 PRESSAVG: 1425200 4.12016 -27.471 57.1036 -27.471 4.43573 -3.2041 57.1036 -3.20408 -11.7098 GPRESSAVG: 1425200 2.96574 -26.6166 58.4267 -29.3634 6.3687 -1.69631 55.5204 -3.73849 -13.1803 TIMING: 1425200 CPU: 4531.63, 0.00318591/step Wall: 4531.63, 0.00318591/step, 3.16361 hours remaining, 238.285156 MB of memory in use. ENERGY: 1425200 4082.9231 20681.2463 14604.5234 237.2479 -203723.0637 2998.8727 0.0000 0.0000 52030.7589 -109087.4913 299.0215 -161118.2503 -108723.9699 299.5485 48.8217 73.0276 764387.1023 -1.0513 -1.2819 PRESSURE: 1425400 91.5179 -218.581 -97.4082 -218.581 178.988 64.9297 -97.408 64.9295 -46.029 GPRESSURE: 1425400 149.803 -242.16 -24.2497 -169.301 158.628 52.7673 -18.3315 -41.6799 1.85021 PRESSAVG: 1425400 -11.2274 -35.9348 44.0207 -35.9348 60.0622 40.7147 44.0207 40.7147 -25.8984 GPRESSAVG: 1425400 -10.9534 -37.1218 42.0825 -33.2855 59.7086 41.1256 45.3145 39.5967 -24.7601 TIMING: 1425400 CPU: 4532.27, 0.00320558/step Wall: 4532.27, 0.00320558/step, 3.18296 hours remaining, 238.285156 MB of memory in use. ENERGY: 1425400 4058.4875 20539.1343 14524.7080 260.0471 -203235.1680 2594.1557 0.0000 0.0000 52099.6441 -109158.9914 299.4174 -161258.6355 -108794.2642 299.9871 74.8256 103.4271 763233.9467 7.6455 7.9984 PRESSURE: 1425600 -227.113 -230.09 58.641 -230.091 -96.0768 116.017 58.6416 116.018 238.255 GPRESSURE: 1425600 -200.399 -146.69 133.841 -210.099 -29.9361 40.2231 60.7834 122.801 220.789 PRESSAVG: 1425600 12.753 -20.5486 58.0937 -20.5485 6.00692 35.6141 58.0937 35.6141 -8.34945 GPRESSAVG: 1425600 13.4185 -19.2713 58.8715 -20.8109 6.08306 35.0196 60.1565 35.8429 -9.34827 TIMING: 1425600 CPU: 4532.91, 0.00320046/step Wall: 4532.91, 0.00320046/step, 3.1777 hours remaining, 238.285156 MB of memory in use. ENERGY: 1425600 4082.2067 20581.7958 14520.3176 246.9658 -203321.9376 2753.5285 0.0000 0.0000 52065.1104 -109072.0129 299.2189 -161137.1233 -108702.8822 299.5823 -28.3117 -3.1821 761768.1998 3.4701 3.3844 PRESSURE: 1425800 -205.168 -41.9396 -110.502 -41.9394 -345.865 -93.2591 -110.503 -93.2577 -313.026 GPRESSURE: 1425800 -193.185 98.3205 -44.6889 12.8224 -312.125 -135.112 -149.143 -6.30561 -265.058 PRESSAVG: 1425800 -6.16939 20.417 38.9149 20.417 31.5445 19.9915 38.9149 19.9915 -2.25517 GPRESSAVG: 1425800 -6.36647 18.9765 40.0192 20.2779 30.5531 18.6255 36.3538 20.4569 -0.80882 TIMING: 1425800 CPU: 4533.55, 0.00318331/step Wall: 4533.55, 0.00318331/step, 3.1605 hours remaining, 238.285156 MB of memory in use. ENERGY: 1425800 4003.9819 20462.8971 14487.3939 258.2466 -203594.4380 2888.4377 0.0000 0.0000 52125.2382 -109368.2426 299.5645 -161493.4807 -109005.7478 299.8535 -288.0198 -256.7893 763134.5466 7.7066 7.7926 PRESSURE: 1426000 -152.434 -50.2945 87.6308 -50.2941 -469.104 124.898 87.6299 124.898 -58.1018 GPRESSURE: 1426000 -139.813 -75.4302 129.013 -30.3391 -468.024 120.561 -1.99868 84.8794 11.9331 PRESSAVG: 1426000 -25.5072 -58.5357 -32.8537 -58.5357 25.7973 37.0653 -32.8538 37.0653 11.2639 GPRESSAVG: 1426000 -26.4717 -57.3721 -33.5527 -59.0328 27.2163 37.3345 -32.1974 36.267 11.0281 TIMING: 1426000 CPU: 4534.19, 0.00319129/step Wall: 4534.19, 0.00319129/step, 3.16824 hours remaining, 238.285156 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: 1426000 3955.8554 20755.0070 14444.2233 240.1554 -203250.6070 2492.5796 0.0000 0.0000 51861.6764 -109501.1100 298.0498 -161362.7864 -109152.7394 299.4190 -226.5465 -198.6347 763251.8621 3.8513 3.9242 PRESSURE: 1426200 -387.124 -141.161 -66.6558 -141.162 -372.145 63.9587 -66.6557 63.9601 11.2658 GPRESSURE: 1426200 -263.506 -175.713 -75.6267 -116.722 -403.654 145.17 -55.3112 145.011 -2.79245 PRESSAVG: 1426200 -33.7572 -70.1222 43.5248 -70.1222 52.3393 58.5117 43.5247 58.5116 19.2262 GPRESSAVG: 1426200 -33.2738 -72.0465 44.169 -69.5603 52.1353 60.0053 43.1263 59.4366 18.8646 TIMING: 1426200 CPU: 4534.83, 0.00318803/step Wall: 4534.83, 0.00318803/step, 3.16482 hours remaining, 238.285156 MB of memory in use. ENERGY: 1426200 3952.2935 20558.9278 14531.0598 271.6141 -203551.1992 2746.3177 0.0000 0.0000 51919.9055 -109571.0809 298.3844 -161490.9864 -109220.6286 298.9565 -249.3345 -223.3177 764450.4566 12.6028 12.5753 PRESSURE: 1426400 18.9762 10.2927 -341.35 10.2926 -239.867 -19.8124 -341.349 -19.8135 -270.931 GPRESSURE: 1426400 54.0167 -1.54205 -235.102 -106.276 -206.016 58.8672 -307.187 -33.9297 -252.457 PRESSAVG: 1426400 17.4073 -72.2213 33.1283 -72.2213 -2.06079 4.86946 33.1283 4.86938 1.61066 GPRESSAVG: 1426400 18.6744 -71.1315 31.8589 -73.6118 -2.08547 4.18913 34.531 5.90247 1.04744 TIMING: 1426400 CPU: 4535.47, 0.0032019/step Wall: 4535.47, 0.0032019/step, 3.17842 hours remaining, 238.285156 MB of memory in use. ENERGY: 1426400 3971.5035 20413.2401 14580.9934 248.7278 -203543.0792 2839.0251 0.0000 0.0000 52001.2918 -109488.2975 298.8521 -161489.5893 -109124.0682 298.8218 -163.9404 -134.8187 763438.0277 5.6524 5.8788 PRESSURE: 1426600 -307.979 -253.904 -28.9357 -253.903 -149.509 269.038 -28.9348 269.038 -339.63 GPRESSURE: 1426600 -251.158 -311.586 20.5295 -311.7 -113.068 220.583 -17.7176 144.327 -352.152 PRESSAVG: 1426600 2.18651 -56.7992 74.8084 -56.7992 1.2514 43.2873 74.8084 43.2873 4.00851 GPRESSAVG: 1426600 0.530051 -58.0313 75.0976 -54.3219 2.14982 43.9908 73.7985 42.7973 4.47255 TIMING: 1426600 CPU: 4536.11, 0.0032021/step Wall: 4536.11, 0.0032021/step, 3.17844 hours remaining, 238.285156 MB of memory in use. ENERGY: 1426600 4013.4576 20690.3510 14548.8121 246.8514 -203365.2036 2775.4973 0.0000 0.0000 51746.8823 -109343.3519 297.3900 -161090.2342 -108988.9632 299.3341 -265.7057 -238.7929 763224.2011 2.4821 2.3841 PRESSURE: 1426800 -290.332 -18.4034 -35.3638 -18.4037 182.554 -71.5178 -35.3645 -71.5174 -329.506 GPRESSURE: 1426800 -229.794 103.838 -134.567 -123.965 224.3 -135.624 -100.806 -264.502 -348.817 PRESSAVG: 1426800 -24.719 -88.7234 -18.0261 -88.7234 -1.92882 11.9086 -18.0262 11.9086 -18.2577 GPRESSAVG: 1426800 -23.615 -86.6824 -19.2294 -90.8628 -1.94373 12.5422 -17.6743 8.68935 -19.7529 TIMING: 1426800 CPU: 4536.74, 0.00318806/step Wall: 4536.74, 0.00318806/step, 3.16432 hours remaining, 238.285156 MB of memory in use. ENERGY: 1426800 4019.8148 20633.7118 14519.6685 247.4093 -203409.1287 2730.3981 0.0000 0.0000 51919.8481 -109338.2780 298.3841 -161258.1261 -108976.8641 299.8283 -145.7613 -118.1039 762898.7581 -14.9685 -15.1039 PRESSURE: 1427000 -10.1478 -160.122 -21.0081 -160.122 132.227 199.5 -21.0081 199.501 -255.758 GPRESSURE: 1427000 134.272 -133.648 12.5813 -117.338 115.639 170.121 3.52134 199.079 -292.24 PRESSAVG: 1427000 -23.2603 -113.509 36.9356 -113.509 -19.7109 -15.9298 36.9356 -15.9297 2.58883 GPRESSAVG: 1427000 -24.1455 -114.216 38.4715 -111.605 -20.3303 -16.4484 34.6982 -15.0492 4.34698 TIMING: 1427000 CPU: 4537.39, 0.00321211/step Wall: 4537.39, 0.00321211/step, 3.18802 hours remaining, 238.285156 MB of memory in use. ENERGY: 1427000 3905.1532 20439.4616 14552.3770 232.8516 -203907.2130 2944.4202 0.0000 0.0000 52241.7653 -109591.1842 300.2341 -161832.9495 -109233.4161 299.0064 -44.5595 -14.1097 761532.3120 -13.4608 -13.3763 PRESSURE: 1427200 -15.5425 84.2873 -6.20842 84.2863 -33.202 -35.0184 -6.20949 -35.0181 -452.35 GPRESSURE: 1427200 -28.7745 130.568 -54.0209 -1.26545 19.0837 -65.8447 21.8889 -39.3096 -395.861 PRESSAVG: 1427200 -33.0183 -19.9751 41.3144 -19.9751 46.9089 7.07519 41.3145 7.0752 -4.44282 GPRESSAVG: 1427200 -32.1722 -18.7478 40.2763 -21.3772 45.5411 5.24811 42.1749 10.5305 -4.04476 TIMING: 1427200 CPU: 4538.03, 0.00321133/step Wall: 4538.03, 0.00321133/step, 3.18707 hours remaining, 238.285156 MB of memory in use. ENERGY: 1427200 4015.5634 20404.2149 14572.0217 246.7041 -203446.7976 2417.7909 0.0000 0.0000 51985.9469 -109804.5557 298.7640 -161790.5026 -109433.7260 298.8591 -167.0315 -135.1838 760009.5172 3.1493 3.1080 PRESSURE: 1427400 427.435 -63.71 112.391 -63.7097 196.335 380.806 112.392 380.806 180.446 GPRESSURE: 1427400 480.97 -0.118621 141.373 -84.1159 258.42 311.552 197.545 223.42 160.637 PRESSAVG: 1427400 -61.0886 -45.9087 -0.177378 -45.9087 74.2988 -26.7101 -0.177348 -26.7101 -9.37422 GPRESSAVG: 1427400 -60.8454 -47.4647 -0.597878 -45.9001 75.9223 -25.1917 2.25366 -28.6945 -10.7005 TIMING: 1427400 CPU: 4538.67, 0.00320727/step Wall: 4538.67, 0.00320727/step, 3.18286 hours remaining, 238.285156 MB of memory in use. ENERGY: 1427400 3909.4953 20464.6803 14540.5746 233.1546 -203976.0268 2959.4055 0.0000 0.0000 52008.1563 -109860.5602 298.8916 -161868.7165 -109503.8374 298.7657 268.0719 300.0086 759822.0701 1.2787 1.4588 PRESSURE: 1427600 -164.826 -160.594 -95.477 -160.594 -70.3486 -20.2223 -95.4775 -20.2232 -318.72 GPRESSURE: 1427600 -150.577 -30.94 -179.998 -113.607 -76.2997 -60.6939 24.1047 59.0163 -258.709 PRESSAVG: 1427600 3.66954 -24.7027 3.27344 -24.7027 20.4961 -24.6275 3.27344 -24.6275 -3.00595 GPRESSAVG: 1427600 2.35375 -24.3145 3.31554 -24.1498 20.7571 -25.0952 2.68806 -24.6763 -2.50605 TIMING: 1427600 CPU: 4539.31, 0.00319447/step Wall: 4539.31, 0.00319447/step, 3.16998 hours remaining, 238.285156 MB of memory in use. ENERGY: 1427600 3953.5510 20435.1076 14412.2092 237.1717 -203526.7604 2685.9833 0.0000 0.0000 51876.8199 -109925.9177 298.1368 -161802.7376 -109557.4315 298.3404 -184.6316 -161.8617 762191.2100 7.0532 6.8683 PRESSURE: 1427800 172.133 -144.106 -106.997 -144.107 -87.9518 127.301 -106.997 127.302 28.5796 GPRESSURE: 1427800 237.018 -156.349 -41.5053 -192.061 -8.51088 155.959 -111.398 101.148 -12.4192 PRESSAVG: 1427800 10.8853 50.8537 2.89864 50.8537 -14.6321 15.3109 2.89861 15.3109 -15.7281 GPRESSAVG: 1427800 11.0074 52.3351 4.77498 51.8526 -14.4904 15.1977 2.87233 15.9855 -16.0909 TIMING: 1427800 CPU: 4539.95, 0.00318731/step Wall: 4539.95, 0.00318731/step, 3.1627 hours remaining, 238.285156 MB of memory in use. ENERGY: 1427800 3964.8129 20507.9091 14491.9356 255.2985 -203584.5344 2761.4964 0.0000 0.0000 51858.6532 -109744.4286 298.0324 -161603.0818 -109377.0343 298.1690 37.5869 72.0295 763454.1724 -6.4916 -6.5247 PRESSURE: 1428000 -16.619 318.279 -71.4375 318.279 337.718 -195.875 -71.438 -195.876 321.253 GPRESSURE: 1428000 14.0364 308.097 -133.733 309.297 366.482 -78.4094 -78.5237 -188.003 341.656 PRESSAVG: 1428000 41.7961 -13.6486 4.02231 -13.6486 -1.51295 29.0624 4.0223 29.0623 1.17334 GPRESSAVG: 1428000 40.3796 -15.8399 3.01402 -15.3094 -1.57497 29.7672 2.81592 27.0823 2.28985 TIMING: 1428000 CPU: 4540.58, 0.00318813/step Wall: 4540.58, 0.00318813/step, 3.16334 hours remaining, 238.285156 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: 1428000 4017.8489 20547.1684 14496.3083 237.4814 -203770.8913 2775.4555 0.0000 0.0000 52176.7588 -109519.8700 299.8605 -161696.6288 -109148.2327 299.1212 214.1176 240.7249 762482.5359 13.8188 13.6982 PRESSURE: 1428200 22.1754 94.9056 -280.603 94.9054 190.591 137.326 -280.603 137.326 -115.766 GPRESSURE: 1428200 29.1911 14.6119 -277.8 127.177 133.366 52.6576 -173.127 159.439 11.4712 PRESSAVG: 1428200 -24.6334 -27.1597 -20.1633 -27.1598 48.3652 30.429 -20.1633 30.429 0.128785 GPRESSAVG: 1428200 -23.3182 -26.5257 -20.5554 -25.4549 47.1879 30.6 -17.4555 30.735 0.211805 TIMING: 1428200 CPU: 4541.22, 0.00319718/step Wall: 4541.22, 0.00319718/step, 3.17213 hours remaining, 238.285156 MB of memory in use. ENERGY: 1428200 3946.4046 20657.2541 14503.5983 239.7903 -203720.4125 2681.2734 0.0000 0.0000 51895.9494 -109796.1422 298.2467 -161692.0917 -109439.9929 299.0854 32.3336 58.0093 761272.3969 7.9535 8.0272 LDB: ============= START OF LOAD BALANCING ============== 4553.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4553.68 LDB: =============== DONE WITH MIGRATION ================ 4553.68 LDB: ============= START OF LOAD BALANCING ============== 4554 LDB: Largest compute 7060 load 0.037490 is 19.2% of average load 0.195306 LDB: Average compute 0.004421 is 2.3% of average load 0.195306 LDB: TIME 4554.01 LOAD: AVG 0.195306 MAX 0.213806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.621 MB LDB: TIME 4554.01 LOAD: AVG 0.195306 MAX 0.213806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.824 MB LDB: TIME 4554.01 LOAD: AVG 0.195306 MAX 0.213806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.824 MB LDB: ============== END OF LOAD BALANCING =============== 4554.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4554.01 PRESSURE: 1428400 -28.5105 -14.5759 78.25 -14.5752 24.5671 349.674 78.2494 349.674 351.244 GPRESSURE: 1428400 98.3366 -45.3446 14.3696 67.9239 15.279 332.226 128.658 206.11 322.552 PRESSAVG: 1428400 33.7975 2.59528 26.8265 2.59525 17.6772 -1.18467 26.8265 -1.18472 12.7615 GPRESSAVG: 1428400 32.8047 1.19901 26.3373 0.328344 18.61 -1.36479 23.3838 -0.253702 12.482 TIMING: 1428400 CPU: 4541.88, 0.00326941/step Wall: 4541.88, 0.00326941/step, 3.24362 hours remaining, 238.343750 MB of memory in use. ENERGY: 1428400 4033.9088 20562.3875 14499.1349 250.8275 -203888.3610 2837.9474 0.0000 0.0000 52080.4547 -109623.7002 299.3071 -161704.1550 -109258.9198 298.8132 115.7668 145.3893 760935.0625 21.4121 21.2989 PRESSURE: 1428600 96.7955 -152.79 204.155 -152.79 173.6 44.7271 204.155 44.7269 651.005 GPRESSURE: 1428600 65.9575 -138.636 124.428 -161.122 299.055 61.2418 190.071 -22.3975 630.819 PRESSAVG: 1428600 -0.230017 -29.3308 30.4184 -29.3308 19.4609 -19.6942 30.4183 -19.6942 -10.1103 GPRESSAVG: 1428600 0.362014 -28.2738 29.337 -27.533 18.5336 -18.676 33.1037 -20.5324 -10.1096 TIMING: 1428600 CPU: 4542.52, 0.00321521/step Wall: 4542.52, 0.00321521/step, 3.18967 hours remaining, 238.343750 MB of memory in use. ENERGY: 1428600 3959.5562 20458.6666 14517.1566 245.1001 -203522.4527 2558.3574 0.0000 0.0000 52102.7078 -109680.9078 299.4350 -161783.6157 -109304.1465 299.3025 307.1334 331.9438 761681.5865 3.0402 2.9287 PRESSURE: 1428800 244.813 20.2437 125.487 20.2436 40.3281 -110.218 125.486 -110.218 22.6762 GPRESSURE: 1428800 252.893 -74.8825 167.264 7.46569 77.5618 -92.8653 45.0526 -79.1726 75.7213 PRESSAVG: 1428800 -1.70047 -11.7478 -46.8922 -11.7478 -47.3763 -10.5661 -46.8922 -10.566 16.1596 GPRESSAVG: 1428800 -0.730328 -10.6848 -45.5222 -13.6504 -47.8899 -11.4133 -49.3404 -11.0149 15.4045 TIMING: 1428800 CPU: 4543.16, 0.00319389/step Wall: 4543.16, 0.00319389/step, 3.16834 hours remaining, 238.343750 MB of memory in use. ENERGY: 1428800 4010.4779 20581.7875 14500.9575 245.0922 -203830.4434 2807.7162 0.0000 0.0000 51983.1254 -109701.2867 298.7477 -161684.4121 -109340.7134 298.7587 102.6058 135.3919 760618.5324 -10.9724 -11.0719 PRESSURE: 1429000 184.798 94.9395 -65.9632 94.9395 -100.917 135.153 -65.9623 135.153 498.28 GPRESSURE: 1429000 240.86 89.2023 -126.155 153.823 -69.4472 96.1808 -92.4492 92.7975 482.239 PRESSAVG: 1429000 -33.1401 -51.6332 -19.1865 -51.6332 27.6434 -51.1303 -19.1864 -51.1303 -14.8011 GPRESSAVG: 1429000 -33.1506 -52.4705 -19.3052 -49.2667 27.8657 -50.6757 -17.9716 -50.0428 -14.2157 TIMING: 1429000 CPU: 4543.8, 0.00319389/step Wall: 4543.8, 0.00319389/step, 3.16817 hours remaining, 238.343750 MB of memory in use. ENERGY: 1429000 3909.0962 20531.2884 14554.5909 230.4968 -203573.2958 2566.9420 0.0000 0.0000 51674.1138 -110106.7678 296.9718 -161780.8816 -109747.7462 298.0398 194.0539 217.8840 759972.5770 -6.7659 -6.5002 PRESSURE: 1429200 -66.6923 250.233 86.2826 250.234 155.68 20.615 86.2821 20.6154 -163.196 GPRESSURE: 1429200 -7.80661 112.503 50.6047 282.001 113.212 38.7009 127.242 63.7416 -99.8723 PRESSAVG: 1429200 -0.133699 -14.2559 34.6665 -14.2559 -48.8075 31.0392 34.6665 31.0392 15.4283 GPRESSAVG: 1429200 0.579453 -15.0931 35.4555 -14.5269 -49.9029 31.5693 34.3667 30.5855 15.5226 TIMING: 1429200 CPU: 4544.43, 0.00318005/step Wall: 4544.43, 0.00318005/step, 3.15426 hours remaining, 238.343750 MB of memory in use. ENERGY: 1429200 3932.4724 20635.5728 14576.2725 239.8640 -203696.4074 2537.1340 0.0000 0.0000 51691.4025 -110083.6891 297.0712 -161775.0916 -109723.9606 297.6879 -24.7360 1.8444 760169.3880 -11.1710 -11.2670 PRESSURE: 1429400 25.646 5.38703 212.435 5.38693 -123.648 279.394 212.435 279.395 367.958 GPRESSURE: 1429400 83.6558 -112.927 196.381 46.4965 -168.785 261.424 198.686 111.293 427.331 PRESSAVG: 1429400 -15.991 -17.654 5.04417 -17.654 -51.5313 29.1409 5.04418 29.1409 -11.0409 GPRESSAVG: 1429400 -16.7066 -17.0254 5.44202 -19.9155 -50.9887 29.273 4.32473 27.9716 -11.7359 TIMING: 1429400 CPU: 4545.07, 0.00318045/step Wall: 4545.07, 0.00318045/step, 3.15447 hours remaining, 238.343750 MB of memory in use. ENERGY: 1429400 4027.9026 20465.7680 14496.2555 256.6948 -203915.1777 2849.5098 0.0000 0.0000 52115.7247 -109703.3223 299.5098 -161819.0470 -109339.8229 298.2315 89.9855 114.0674 760443.6962 -26.1878 -26.4771 PRESSURE: 1429600 -383.393 22.6685 113.677 22.6692 -226.164 77.9876 113.676 77.9883 9.4929 GPRESSURE: 1429600 -358.412 35.4209 27.4466 26.1021 -112.661 98.187 89.4 -5.40853 -52.9759 PRESSAVG: 1429600 20.1369 2.71041 17.4471 2.71041 -30.2284 48.776 17.4471 48.776 9.2101 GPRESSAVG: 1429600 19.7032 4.35755 15.9989 2.58583 -29.3044 48.5834 18.696 48.218 8.82404 TIMING: 1429600 CPU: 4545.71, 0.00317937/step Wall: 4545.71, 0.00317937/step, 3.15323 hours remaining, 238.343750 MB of memory in use. ENERGY: 1429600 3949.0004 20517.2082 14489.4624 247.6772 -203378.4803 2451.4459 0.0000 0.0000 52096.5314 -109627.1549 299.3995 -161723.6863 -109259.5258 298.9593 -200.0212 -174.6830 762624.6537 -0.2938 -0.2590 PRESSURE: 1429800 -164.833 -215.201 -282.299 -215.201 136.946 97.378 -282.298 97.378 5.39177 GPRESSURE: 1429800 -89.0518 -187.011 -187.29 -153.533 92.9492 148.584 -260.612 32.4856 36.0342 PRESSAVG: 1429800 -6.41351 -29.6681 -31.863 -29.668 27.9691 6.54354 -31.8631 6.54357 -3.33653 GPRESSAVG: 1429800 -6.24831 -31.304 -31.1153 -28.3817 28.5555 5.65515 -31.9141 7.98092 -3.69827 TIMING: 1429800 CPU: 4546.34, 0.00317411/step Wall: 4546.34, 0.00317411/step, 3.14783 hours remaining, 238.343750 MB of memory in use. ENERGY: 1429800 4005.8071 20660.1079 14532.3717 251.8605 -203778.9365 2674.6038 0.0000 0.0000 52125.8550 -109528.3305 299.5680 -161654.1855 -109157.8181 299.3038 -7.4984 13.3105 760462.2308 6.0730 6.2030 PRESSURE: 1430000 41.148 -13.7076 182.923 -13.7075 117.396 66.36 182.923 66.36 -111.77 GPRESSURE: 1430000 121.159 -39.5353 80.4219 -69.3399 210.784 23.4019 232.606 178.537 -190.223 PRESSAVG: 1430000 -36.0783 -43.0213 -43.5912 -43.0213 -20.8898 3.41521 -43.5912 3.41513 -6.8258 GPRESSAVG: 1430000 -36.9096 -42.7957 -43.5175 -41.0081 -20.4832 2.88405 -45.7369 5.50353 -5.97815 TIMING: 1430000 CPU: 4546.97, 0.00317199/step Wall: 4546.97, 0.00317199/step, 3.14555 hours remaining, 238.343750 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: 1430000 3993.4719 20435.8507 14593.8616 264.4866 -203664.4184 2841.6506 0.0000 0.0000 52220.7748 -109314.3221 300.1135 -161535.0969 -108945.2068 299.8632 15.5911 47.2403 759542.8632 -21.2646 -21.1236 PRESSURE: 1430200 -46.5382 -152.557 -25.0292 -152.557 441.811 320.79 -25.0297 320.79 447.425 GPRESSURE: 1430200 89.1001 -192.199 -52.2803 -130.202 409.274 299.588 28.2067 246.02 432.675 PRESSAVG: 1430200 -0.662121 -34.2351 20.5793 -34.235 15.5755 11.6982 20.5793 11.698 11.4113 GPRESSAVG: 1430200 -0.75346 -34.6216 20.0424 -36.2171 14.885 13.094 22.6906 10.0554 12.3164 TIMING: 1430200 CPU: 4547.62, 0.00321102/step Wall: 4547.62, 0.00321102/step, 3.18408 hours remaining, 238.343750 MB of memory in use. ENERGY: 1430200 4014.8299 20612.4142 14433.9792 239.8342 -203808.9994 3199.7353 0.0000 0.0000 52117.4570 -109190.7496 299.5197 -161308.2066 -108827.9683 299.9676 280.8994 310.3497 759718.7279 8.7749 8.8160 PRESSURE: 1430400 -477.025 141.621 218.284 141.621 -97.8386 -82.932 218.284 -82.9322 -621.651 GPRESSURE: 1430400 -504.539 104.568 148.34 151.468 -34.5022 -76.3887 208.888 62.434 -580.93 PRESSAVG: 1430400 -31.9527 -67.1443 11.3406 -67.1442 8.04031 14.403 11.3406 14.403 -8.86098 GPRESSAVG: 1430400 -31.9503 -65.0138 10.8692 -65.5244 8.55302 13.6617 9.93911 15.6586 -9.34537 TIMING: 1430400 CPU: 4548.26, 0.00323136/step Wall: 4548.26, 0.00323136/step, 3.20407 hours remaining, 238.343750 MB of memory in use. ENERGY: 1430400 4014.2607 20591.0790 14421.3372 244.6215 -202939.6452 2221.3356 0.0000 0.0000 52097.3238 -109349.6874 299.4040 -161447.0112 -108983.2660 299.8451 -398.8381 -373.3239 762438.7443 -10.9245 -10.9142 PRESSURE: 1430600 -214.897 -90.8617 144.168 -90.8614 -171.097 233.519 144.168 233.519 -228.676 GPRESSURE: 1430600 -163.323 -53.2102 129.05 -93.6031 -193.171 322.399 66.3253 96.444 -175.512 PRESSAVG: 1430600 8.24042 -52.3907 -3.5664 -52.3907 -38.3714 11.2047 -3.56639 11.2047 12.0017 GPRESSAVG: 1430600 8.78652 -56.1399 -2.96982 -51.7238 -39.1037 11.6502 -2.56293 8.70815 11.8066 TIMING: 1430600 CPU: 4548.9, 0.00320103/step Wall: 4548.9, 0.00320103/step, 3.17382 hours remaining, 238.343750 MB of memory in use. ENERGY: 1430600 4050.0470 20767.0069 14447.0357 228.3284 -203471.2519 2632.3900 0.0000 0.0000 52064.9130 -109281.5310 299.2178 -161346.4440 -108932.8770 299.4852 -204.8900 -177.3354 761704.3978 -6.0431 -6.1702 PRESSURE: 1430800 -308.194 4.40646 147.425 4.40592 1.18248 280.662 147.425 280.663 -230.583 GPRESSURE: 1430800 -150.586 -63.6606 158.127 48.4975 -74.7051 268.269 198.089 153.419 -206.571 PRESSAVG: 1430800 28.3906 -48.8688 -12.894 -48.8687 -25.3897 29.4434 -12.894 29.4434 7.30238 GPRESSAVG: 1430800 28.7781 -47.383 -12.492 -48.3238 -26.2778 29.9703 -13.8731 30.5974 8.02729 TIMING: 1430800 CPU: 4549.55, 0.00322718/step Wall: 4549.55, 0.00322718/step, 3.19957 hours remaining, 238.343750 MB of memory in use. ENERGY: 1430800 4043.3955 20629.9993 14495.5735 247.0723 -203191.2855 2378.2093 0.0000 0.0000 51969.6466 -109427.3889 298.6703 -161397.0355 -109064.7836 299.6237 -179.1980 -143.9540 760736.3448 3.4344 3.5092 PRESSURE: 1431000 77.2356 -2.11027 174.36 -2.11015 -374.577 47.8493 174.36 47.8501 -195.996 GPRESSURE: 1431000 55.944 -65.1747 204.39 -34.5607 -272.276 43.7399 121.405 128.095 -186.485 PRESSAVG: 1431000 -13.1259 -18.1538 -24.5512 -18.1538 -1.11149 -17.0128 -24.5512 -17.0128 -5.31528 GPRESSAVG: 1431000 -13.6998 -18.0481 -24.3091 -18.1262 0.176954 -16.6001 -21.2544 -14.6941 -6.40738 TIMING: 1431000 CPU: 4550.2, 0.00325786/step Wall: 4550.2, 0.00325786/step, 3.22981 hours remaining, 238.343750 MB of memory in use. ENERGY: 1431000 4021.4954 20499.1706 14502.3130 261.0453 -202966.1179 2280.5416 0.0000 0.0000 52128.8871 -109272.6649 299.5854 -161401.5519 -108908.1422 299.1859 -164.4458 -134.2721 761306.3068 -6.5176 -6.6434 PRESSURE: 1431200 152.27 14.1061 101.154 14.1065 322.738 27.188 101.154 27.1884 497.573 GPRESSURE: 1431200 234.782 -27.0438 179.24 -25.362 352.034 137.437 145.904 52.8784 459.257 PRESSAVG: 1431200 8.77416 -37.7453 22.1161 -37.7452 8.85308 13.5454 22.1161 13.5454 21.7276 GPRESSAVG: 1431200 7.37613 -38.5567 22.8288 -39.7878 9.6182 13.5243 20.0693 10.1134 22.0279 TIMING: 1431200 CPU: 4550.84, 0.00321128/step Wall: 4550.84, 0.00321128/step, 3.18345 hours remaining, 238.343750 MB of memory in use. ENERGY: 1431200 3875.2738 20442.0295 14453.6756 248.0082 -202919.5626 2488.5997 0.0000 0.0000 52071.1184 -109340.8574 299.2534 -161411.9758 -108964.2390 299.2581 324.1936 348.6908 761589.3703 13.1183 13.0074 PRESSURE: 1431400 64.4426 -129.26 -105.203 -129.26 314.076 119.311 -105.203 119.312 -398.486 GPRESSURE: 1431400 222.927 -200.916 -161.666 -106.7 209.56 167.451 -107.146 93.8863 -369.232 PRESSAVG: 1431400 -30.4644 -28.6761 0.0492111 -28.676 -0.264708 8.57208 0.0492162 8.57192 11.0998 GPRESSAVG: 1431400 -28.6944 -28.3422 0.0925373 -26.5855 -1.99712 8.05491 -1.68907 10.0739 11.5093 TIMING: 1431400 CPU: 4551.49, 0.00322039/step Wall: 4551.49, 0.00322039/step, 3.1923 hours remaining, 238.343750 MB of memory in use. ENERGY: 1431400 3943.2490 20530.0068 14464.0013 243.1803 -203156.9782 2584.6050 0.0000 0.0000 52008.2610 -109383.6749 298.8922 -161391.9358 -109020.6769 298.7584 -6.6558 21.0849 762285.8806 -6.5431 -6.3941 PRESSURE: 1431600 -172.181 -147.174 68.6098 -147.173 135.853 -232.027 68.6097 -232.026 190.884 GPRESSURE: 1431600 -71.44 -182.893 141.096 -216.418 97.4998 -284.517 -57.9219 -229.286 222.133 PRESSAVG: 1431600 -3.24329 -48.462 -2.61473 -48.462 12.8158 -29.8551 -2.61468 -29.8551 -18.2812 GPRESSAVG: 1431600 -2.29088 -48.2735 -3.82108 -48.9144 11.9211 -29.3099 -1.08762 -29.6421 -18.6423 TIMING: 1431600 CPU: 4552.13, 0.00322594/step Wall: 4552.13, 0.00322594/step, 3.19763 hours remaining, 238.343750 MB of memory in use. ENERGY: 1431600 4000.5077 20540.8095 14484.4325 250.7210 -203541.2315 2903.1733 0.0000 0.0000 51992.3187 -109369.2689 298.8006 -161361.5876 -109011.9107 299.1166 51.5186 82.7310 761046.6016 -2.9029 -3.0040 PRESSURE: 1431800 -202.888 0.0515987 -196.644 0.0520003 -382.834 -13.6582 -196.643 -13.6592 -201.372 GPRESSURE: 1431800 -338.417 140.421 -104.099 -66.4474 -256.596 -13.6958 -178.533 -17.185 -119.959 PRESSAVG: 1431800 -23.2718 3.70725 -22.9664 3.70729 25.117 0.0241242 -22.9663 0.0241198 8.05565 GPRESSAVG: 1431800 -25.4775 3.86857 -21.8466 3.06245 26.4764 0.175906 -22.2254 -0.566643 8.71636 TIMING: 1431800 CPU: 4552.78, 0.00323416/step Wall: 4552.78, 0.00323416/step, 3.20559 hours remaining, 238.343750 MB of memory in use. ENERGY: 1431800 4024.4696 20513.1689 14585.6294 261.9060 -203108.6709 2335.9879 0.0000 0.0000 52131.9519 -109255.5573 299.6030 -161387.5092 -108891.4733 299.5478 -262.3647 -238.3242 761821.8042 3.3003 3.2384 PRESSURE: 1432000 119.549 8.73205 88.8166 8.7322 3.05048 40.1818 88.8165 40.1821 -14.8976 GPRESSURE: 1432000 193.374 -140.084 138.955 0.831903 40.4103 107.992 -68.568 -31.5974 -44.4422 PRESSAVG: 1432000 -6.34576 24.7502 -28.7697 24.7502 1.11561 35.4406 -28.7697 35.4407 18.7054 GPRESSAVG: 1432000 -5.35531 24.1036 -28.5653 23.1792 0.609814 32.1501 -30.1101 35.054 18.1427 TIMING: 1432000 CPU: 4553.42, 0.00319294/step Wall: 4553.42, 0.00319294/step, 3.16456 hours remaining, 238.343750 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: 1432000 3920.2723 20610.5001 14482.1236 224.0294 -203250.6968 2438.3580 0.0000 0.0000 52262.5078 -109312.9056 300.3534 -161575.4134 -108945.2768 300.1721 35.9005 63.1140 761065.9172 4.4917 4.4657 PRESSURE: 1432200 37.5603 57.4281 24.9282 57.4281 67.1375 88.9524 24.9276 88.9531 0.212227 GPRESSURE: 1432200 34.5624 80.8425 27.3728 -107.021 87.6029 71.1624 43.3549 -3.2472 45.4592 PRESSAVG: 1432200 1.32604 -21.8147 -35.3553 -21.8147 -33.4086 -2.15202 -35.3553 -2.15201 24.9966 GPRESSAVG: 1432200 -1.05763 -20.8028 -36.724 -21.3197 -31.8576 -0.916548 -32.8726 -1.14835 25.8671 TIMING: 1432200 CPU: 4554.05, 0.00318081/step Wall: 4554.05, 0.00318081/step, 3.15236 hours remaining, 238.343750 MB of memory in use. ENERGY: 1432200 3999.1059 20540.7018 14499.0898 235.8669 -203226.3661 2469.4614 0.0000 0.0000 52161.9930 -109320.1471 299.7757 -161482.1401 -108965.6740 299.5458 34.9700 55.8748 761704.2489 -2.3620 -2.3494 LDB: ============= START OF LOAD BALANCING ============== 4566.51 LDB: ============== END OF LOAD BALANCING =============== 4566.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4566.51 LDB: ============= START OF LOAD BALANCING ============== 4566.83 LDB: Largest compute 7032 load 0.038645 is 19.8% of average load 0.195171 LDB: Average compute 0.004432 is 2.3% of average load 0.195171 LDB: TIME 4566.83 LOAD: AVG 0.195171 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 4566.83 LOAD: AVG 0.195171 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.047 MB LDB: TIME 4566.83 LOAD: AVG 0.195171 MAX 0.214795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.047 MB LDB: ============== END OF LOAD BALANCING =============== 4566.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4566.84 PRESSURE: 1432400 130.69 0.179957 83.8716 0.179462 72.1695 164.338 83.8716 164.338 385.899 GPRESSURE: 1432400 230.58 21.508 67.7921 56.3506 2.21168 236.138 -10.815 70.8214 430.268 PRESSAVG: 1432400 -9.92656 -30.3842 -14.8427 -30.3842 40.9004 -47.8324 -14.8427 -47.8323 1.53427 GPRESSAVG: 1432400 -7.74049 -31.0074 -16.6331 -28.73 39.0144 -47.2529 -17.731 -48.2636 1.52874 TIMING: 1432400 CPU: 4554.7, 0.00325499/step Wall: 4554.7, 0.00325499/step, 3.2257 hours remaining, 237.437500 MB of memory in use. ENERGY: 1432400 3980.3280 20561.8327 14458.9514 229.1840 -203271.8107 2708.5891 0.0000 0.0000 51836.0075 -109496.9181 297.9022 -161332.9256 -109138.3094 299.7657 196.2528 221.0200 760375.2253 10.8360 10.9342 PRESSURE: 1432600 328.095 -112.657 128.056 -112.658 322.075 -17.4498 128.055 -17.451 213.832 GPRESSURE: 1432600 298.687 -66.0938 233.382 -153.12 406.453 -50.2515 63.681 42.777 260.392 PRESSAVG: 1432600 2.12472 -13.0667 6.44042 -13.0667 -13.7532 -10.7118 6.44042 -10.7118 20.8932 GPRESSAVG: 1432600 1.54531 -12.3176 8.71847 -13.0003 -12.1681 -11.679 4.33068 -11.0149 20.5606 TIMING: 1432600 CPU: 4555.34, 0.00319892/step Wall: 4555.34, 0.00319892/step, 3.16995 hours remaining, 237.437500 MB of memory in use. ENERGY: 1432600 4003.1926 20494.0578 14536.3561 245.3515 -203553.6180 2816.7464 0.0000 0.0000 52105.1708 -109352.7427 299.4491 -161457.9135 -108995.2701 299.6637 288.0009 321.8440 761524.4066 3.0882 3.3126 PRESSURE: 1432800 -132.151 -64.0441 141.803 -64.0446 -37.0631 74.5925 141.803 74.5929 70.861 GPRESSURE: 1432800 -71.5013 -191.77 308.334 127.262 55.2257 105.312 132.797 -114.582 4.63275 PRESSAVG: 1432800 28.0081 -20.3386 -38.6029 -20.3386 -23.9108 -33.0595 -38.6029 -33.0596 1.18387 GPRESSAVG: 1432800 27.773 -22.4873 -40.8279 -18.0033 -23.143 -31.2506 -34.6131 -32.7308 1.15653 TIMING: 1432800 CPU: 4555.98, 0.00318264/step Wall: 4555.98, 0.00318264/step, 3.15364 hours remaining, 237.437500 MB of memory in use. ENERGY: 1432800 3940.9279 20322.6268 14510.2835 224.7321 -203249.4176 2703.6441 0.0000 0.0000 52104.2019 -109443.0013 299.4436 -161547.2031 -109074.4770 299.5797 -32.7845 -3.8810 761609.4821 1.7604 1.9288 PRESSURE: 1433000 220.926 -102.129 124.688 -102.128 -184.242 -457.591 124.689 -457.591 -133.053 GPRESSURE: 1433000 220.897 -87.6932 84.8261 -260.821 -136.572 -428.071 28.7123 -441.85 -93.4771 PRESSAVG: 1433000 17.8393 -12.4275 -53.6632 -12.4275 -24.9072 25.5878 -53.6632 25.5878 1.34662 GPRESSAVG: 1433000 18.5857 -11.9075 -53.9792 -16.1272 -25.1373 24.6842 -53.1913 24.8407 1.39383 TIMING: 1433000 CPU: 4556.61, 0.00316937/step Wall: 4556.61, 0.00316937/step, 3.14032 hours remaining, 237.437500 MB of memory in use. ENERGY: 1433000 4007.7554 20587.8148 14501.0243 242.7906 -203307.5270 2560.6423 0.0000 0.0000 52134.7032 -109272.7964 299.6189 -161407.4997 -108914.0092 299.9370 -32.1228 -3.0509 761188.7027 -1.9071 -1.7193 PRESSURE: 1433200 194.195 -76.8498 39.3964 -76.8501 350.555 -67.3063 39.3965 -67.3053 164.668 GPRESSURE: 1433200 220.284 -111.883 84.3713 -98.6691 404.508 -17.9252 -141.348 -112.49 178.69 PRESSAVG: 1433200 25.7304 -52.8412 -13.726 -52.8413 10.1756 -34.5686 -13.726 -34.5686 17.7577 GPRESSAVG: 1433200 25.1149 -51.7916 -13.0172 -50.7595 10.5917 -36.1576 -17.0591 -33.2135 18.0222 TIMING: 1433200 CPU: 4557.25, 0.00318841/step Wall: 4557.25, 0.00318841/step, 3.15901 hours remaining, 237.437500 MB of memory in use. ENERGY: 1433200 3983.1153 20730.4875 14471.8301 245.2305 -203501.0375 2883.8594 0.0000 0.0000 51899.2018 -109287.3129 298.2654 -161186.5147 -108931.5082 299.7312 236.4725 267.8273 761844.2597 17.8879 17.9096 PRESSURE: 1433400 39.6704 -179.136 -93.6148 -179.136 -106.683 -175.324 -93.6145 -175.324 -124.018 GPRESSURE: 1433400 102.207 -164.153 -46.7683 -265.609 -181.341 -8.34101 -13.5487 -146.267 -38.601 PRESSAVG: 1433400 32.6455 -60.4924 10.9557 -60.4924 -4.68194 -66.0024 10.9556 -66.0024 -5.99395 GPRESSAVG: 1433400 32.5165 -62.5614 11.2216 -60.4899 -3.93492 -65.0915 12.7374 -66.9179 -6.92745 TIMING: 1433400 CPU: 4557.89, 0.00317388/step Wall: 4557.89, 0.00317388/step, 3.14443 hours remaining, 237.437500 MB of memory in use. ENERGY: 1433400 3984.2354 20660.0651 14485.1989 274.6387 -203177.8749 2267.8266 0.0000 0.0000 52167.8932 -109338.0170 299.8096 -161505.9103 -108978.8977 299.3991 -63.6771 -39.2447 760958.9055 7.3232 7.2180 PRESSURE: 1433600 39.9358 -183.94 -29.9735 -183.94 379.34 57.034 -29.9725 57.0349 88.9605 GPRESSURE: 1433600 193.395 -122.882 -47.4101 -183.719 273.634 -38.5693 -106.044 -52.6845 123.602 PRESSAVG: 1433600 -9.91463 -29.5176 -13.3395 -29.5176 30.0758 -10.4324 -13.3395 -10.4323 -14.7502 GPRESSAVG: 1433600 -8.20236 -25.8292 -13.6891 -31.7558 29.2062 -11.9221 -13.6373 -10.1774 -15.0757 TIMING: 1433600 CPU: 4558.52, 0.00317623/step Wall: 4558.52, 0.00317623/step, 3.14658 hours remaining, 237.437500 MB of memory in use. ENERGY: 1433600 4125.3717 20694.1027 14424.6148 235.4428 -203630.5524 2954.3982 0.0000 0.0000 51791.8499 -109404.7722 297.6485 -161196.6221 -109059.3408 300.0478 169.4120 196.8768 759137.9729 1.8037 1.9760 PRESSURE: 1433800 -93.4808 -20.5482 -14.1365 -20.5484 -159.68 150.773 -14.1361 150.772 284.385 GPRESSURE: 1433800 3.40658 -7.3189 39.0078 -133.326 -78.31 85.4177 -22.1563 96.3055 183.605 PRESSAVG: 1433800 -49.6371 1.9207 -64.7687 1.92076 -18.8526 7.42914 -64.7687 7.42914 2.07691 GPRESSAVG: 1433800 -50.0035 -0.134778 -64.2429 2.0668 -19.1053 7.92729 -63.8488 6.35004 2.7804 TIMING: 1433800 CPU: 4559.16, 0.00320167/step Wall: 4559.16, 0.00320167/step, 3.17161 hours remaining, 237.437500 MB of memory in use. ENERGY: 1433800 3868.1373 20597.3544 14484.0042 252.1587 -203454.1192 2472.6008 0.0000 0.0000 52292.7790 -109487.0847 300.5273 -161779.8637 -109112.5255 299.5305 10.4082 36.2337 759502.3578 -22.1376 -22.1095 PRESSURE: 1434000 136.249 54.7734 82.0383 54.7736 208.199 60.6201 82.0384 60.6208 30.8875 GPRESSURE: 1434000 238.281 -16.2196 48.0168 126.286 191.37 114.629 52.3148 17.5807 35.2472 PRESSAVG: 1434000 -32.607 -13.2295 -8.07368 -13.2295 7.74958 -1.60186 -8.0737 -1.60181 29.7521 GPRESSAVG: 1434000 -33.0587 -14.6657 -6.91204 -11.5266 8.07216 -0.0509071 -8.96405 -0.965487 29.3165 TIMING: 1434000 CPU: 4559.8, 0.00320226/step Wall: 4559.8, 0.00320226/step, 3.17202 hours remaining, 237.437500 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: 1434000 3969.8273 20376.1985 14530.4994 241.2197 -203747.6627 2784.6053 0.0000 0.0000 52110.4892 -109734.8234 299.4797 -161845.3126 -109373.0078 299.4717 125.1120 154.9661 759399.4410 1.6316 1.4433 PRESSURE: 1434200 -373.513 -12.3128 104.288 -12.3126 10.1432 59.4548 104.288 59.4551 50.6875 GPRESSURE: 1434200 -387.973 -26.5041 127.024 51.5859 115.962 48.9031 204.844 28.9179 72.2638 PRESSAVG: 1434200 -56.2453 -8.83348 3.5884 -8.83346 41.9234 -34.7747 3.58841 -34.7747 -9.95315 GPRESSAVG: 1434200 -57.9644 -8.17481 2.61416 -10.0913 42.2137 -36.3507 4.29416 -35.2511 -8.88305 TIMING: 1434200 CPU: 4560.45, 0.00321808/step Wall: 4560.45, 0.00321808/step, 3.18751 hours remaining, 237.437500 MB of memory in use. ENERGY: 1434200 4022.5317 20523.0268 14508.9079 235.8939 -203372.5692 2491.1671 0.0000 0.0000 52111.5387 -109479.5031 299.4857 -161591.0418 -109120.9767 299.1674 -104.2274 -66.5822 759159.4096 -8.0917 -8.2112 PRESSURE: 1434400 79.2034 154.415 158.06 154.414 -209.45 -59.4936 158.061 -59.4933 277.143 GPRESSURE: 1434400 135.58 62.676 129.701 68.9229 -200.545 -109.796 -25.0834 110.415 306.682 PRESSAVG: 1434400 13.8752 -6.52546 13.9352 -6.52544 14.9541 -5.24269 13.9353 -5.24266 25.7322 GPRESSAVG: 1434400 15.7817 -6.85861 12.413 -6.47305 13.4094 -5.03647 13.8876 -3.89686 24.9173 TIMING: 1434400 CPU: 4561.09, 0.00320977/step Wall: 4561.09, 0.00320977/step, 3.1791 hours remaining, 237.437500 MB of memory in use. ENERGY: 1434400 3976.7542 20586.1488 14543.5511 263.3125 -203210.6402 2390.4301 0.0000 0.0000 52086.0221 -109364.4216 299.3391 -161450.4436 -109004.9332 299.6141 48.9656 80.5724 758693.4614 18.1872 18.0362 PRESSURE: 1434600 -196.721 195.73 68.4576 195.73 -266.312 27.8795 68.4582 27.8798 -91.4455 GPRESSURE: 1434600 -197.626 164.454 56.2117 166.911 -155.69 26.098 56.4012 9.1161 -116.709 PRESSAVG: 1434600 72.8508 6.33681 -33.1098 6.33681 -13.9066 -42.6126 -33.1098 -42.6126 -1.35198 GPRESSAVG: 1434600 72.5159 9.58789 -32.3165 6.98264 -12.9518 -41.6391 -32.5999 -43.0039 -1.79185 TIMING: 1434600 CPU: 4561.73, 0.00318755/step Wall: 4561.73, 0.00318755/step, 3.15692 hours remaining, 237.437500 MB of memory in use. ENERGY: 1434600 4043.6765 20433.6563 14437.7682 257.6888 -203019.2084 2274.4234 0.0000 0.0000 52126.1254 -109445.8698 299.5696 -161571.9952 -109090.1172 299.6716 -184.8261 -156.6750 761462.7786 19.1974 19.2574 PRESSURE: 1434800 -110.189 -63.0064 -195.989 -63.0058 -169.504 -199.166 -195.988 -199.167 144.404 GPRESSURE: 1434800 -106.538 12.9494 -268.009 -77.6712 -103.698 -204.499 -17.9705 -180.186 151.388 PRESSAVG: 1434800 15.5751 -34.0136 15.001 -34.0136 -47.0434 -28.7102 15.001 -28.7102 3.90788 GPRESSAVG: 1434800 15.4015 -34.155 15.0674 -35.5843 -47.9381 -29.6125 16.8031 -28.9562 4.94007 TIMING: 1434800 CPU: 4562.36, 0.00318684/step Wall: 4562.36, 0.00318684/step, 3.15604 hours remaining, 237.437500 MB of memory in use. ENERGY: 1434800 3969.0409 20539.8961 14479.7233 257.2881 -203020.1079 2179.7937 0.0000 0.0000 52162.4870 -109431.8786 299.7785 -161594.3657 -109067.8098 299.6630 -45.0964 -19.6159 760932.0429 -9.1868 -9.1988 PRESSURE: 1435000 -185.63 -169.24 -56.4135 -169.239 97.3864 79.8755 -56.4141 79.8762 239.995 GPRESSURE: 1435000 -128.027 -39.5316 -116.897 -120.518 201.745 118.145 30.0126 99.4397 164.259 PRESSAVG: 1435000 38.398 24.3994 -19.3992 24.3994 -37.897 -12.8942 -19.3992 -12.8942 4.27479 GPRESSAVG: 1435000 38.2494 22.3813 -19.3501 25.834 -37.586 -13.1834 -21.9491 -14.059 4.05116 TIMING: 1435000 CPU: 4563, 0.00317437/step Wall: 4563, 0.00317437/step, 3.14351 hours remaining, 237.437500 MB of memory in use. ENERGY: 1435000 3990.4819 20557.8643 14507.2514 238.0821 -203686.8910 2920.9374 0.0000 0.0000 52204.9134 -109267.3604 300.0224 -161472.2739 -108918.0216 299.4175 50.5836 79.3259 762309.3941 1.5919 1.5715 PRESSURE: 1435200 -55.2169 -72.2314 37.7339 -72.2318 -178.138 -28.536 37.7336 -28.5355 -12.5707 GPRESSURE: 1435200 50.6779 40.7275 -54.888 -52.5558 -149.462 -109.193 125.188 4.53205 -43.3137 PRESSAVG: 1435200 -39.8315 -106.592 -20.9693 -106.592 22.0935 -37.4695 -20.9693 -37.4695 7.33281 GPRESSAVG: 1435200 -39.6806 -106.043 -20.955 -106.087 22.1775 -38.9499 -19.653 -35.5744 7.30081 TIMING: 1435200 CPU: 4563.64, 0.00318334/step Wall: 4563.64, 0.00318334/step, 3.15221 hours remaining, 237.437500 MB of memory in use. ENERGY: 1435200 4037.1874 20555.2395 14525.4009 230.5155 -203363.8434 2687.6001 0.0000 0.0000 52184.7672 -109143.1328 299.9066 -161327.9000 -108781.5225 299.8109 -81.9753 -47.3658 762958.4592 -3.4684 -3.4008 PRESSURE: 1435400 269.993 -17.8234 -243.534 -17.823 -153.665 179.09 -243.534 179.089 -5.29223 GPRESSURE: 1435400 180.702 77.5396 -113.813 20.6133 -35.9931 199.471 -317.579 202.164 41.2823 PRESSAVG: 1435400 -0.498642 -53.7585 -64.585 -53.7586 16.4428 8.97122 -64.5851 8.97119 -11.7712 GPRESSAVG: 1435400 -1.65144 -53.0576 -64.138 -52.2875 16.0654 8.97108 -63.9864 10.8757 -10.2667 TIMING: 1435400 CPU: 4564.27, 0.00318431/step Wall: 4564.27, 0.00318431/step, 3.153 hours remaining, 237.437500 MB of memory in use. ENERGY: 1435400 3984.4599 20370.4584 14510.3208 244.6811 -203011.0501 2424.1680 0.0000 0.0000 52199.9440 -109277.0179 299.9938 -161476.9619 -108913.1541 299.9388 37.0120 61.9972 762799.3797 1.3910 1.3824 PRESSURE: 1435600 -9.81388 -55.1166 105.743 -55.1175 -265.735 108.579 105.742 108.58 63.4045 GPRESSURE: 1435600 -65.1992 -0.359249 147.91 -13.9409 -159.846 129.638 128.207 -101.256 118.083 PRESSAVG: 1435600 51.8232 -23.1301 -32.2898 -23.1301 -26.3362 -1.17594 -32.2898 -1.17595 0.956714 GPRESSAVG: 1435600 53.2671 -21.9571 -32.2034 -26.201 -26.0227 0.445752 -34.1672 -5.48724 -0.302434 TIMING: 1435600 CPU: 4564.91, 0.00318349/step Wall: 4564.91, 0.00318349/step, 3.15201 hours remaining, 237.437500 MB of memory in use. ENERGY: 1435600 3900.7254 20442.2340 14472.0193 223.3803 -202790.7329 2331.3844 0.0000 0.0000 51883.4565 -109537.5329 298.1749 -161420.9894 -109175.4389 299.3623 -70.7148 -35.6540 764189.5046 8.8146 8.9807 PRESSURE: 1435800 250.204 -63.8344 28.3582 -63.8341 -163.114 24.442 28.3579 24.4424 -387.087 GPRESSURE: 1435800 243.528 5.12935 68.8813 -78.5918 -131.414 88.0329 39.2655 -53.0484 -327.675 PRESSAVG: 1435800 56.8294 -12.7677 -11.0066 -12.7677 -55.1867 -19.4088 -11.0066 -19.4088 -5.61886 GPRESSAVG: 1435800 55.8093 -15.426 -10.8529 -10.5843 -53.3332 -18.2247 -10.0915 -18.8973 -6.29373 TIMING: 1435800 CPU: 4565.55, 0.00319217/step Wall: 4565.55, 0.00319217/step, 3.16042 hours remaining, 237.437500 MB of memory in use. ENERGY: 1435800 4010.7176 20496.3057 14465.8378 229.6120 -203710.0696 2824.0154 0.0000 0.0000 52285.1435 -109398.4375 300.4834 -161683.5810 -109036.9774 298.7365 -99.9987 -71.8540 762336.3251 -1.3254 -1.2725 PRESSURE: 1436000 242.667 -125.315 -255.951 -125.315 37.9119 128.721 -255.951 128.722 98.9776 GPRESSURE: 1436000 265.711 -238.338 -160.877 -163.405 19.7549 129.54 -269.226 107.311 171.982 PRESSAVG: 1436000 46.181 -50.4314 -8.14373 -50.4315 -25.8245 -19.3829 -8.14375 -19.3829 -12.1153 GPRESSAVG: 1436000 46.0005 -51.1831 -8.07933 -50.3433 -26.4191 -19.2913 -8.34952 -20.1163 -11.4066 TIMING: 1436000 CPU: 4566.19, 0.00320378/step Wall: 4566.19, 0.00320378/step, 3.17174 hours remaining, 237.437500 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: 1436000 3987.8111 20454.8102 14458.7021 244.7972 -203097.1881 2725.1941 0.0000 0.0000 51847.5618 -109378.3116 297.9687 -161225.8733 -109024.8084 299.3619 126.5188 152.4828 763366.1905 2.7471 2.7249 PRESSURE: 1436200 -48.9976 -64.6966 163.126 -64.6964 193.699 -228.468 163.126 -228.469 -505.909 GPRESSURE: 1436200 -71.7158 -114.974 113.012 -66.2328 196.621 -273.241 251.714 -269.026 -422.093 PRESSAVG: 1436200 23.4264 -82.5949 7.88782 -82.5948 -20.2785 -34.563 7.88782 -34.563 -2.28379 GPRESSAVG: 1436200 23.7453 -79.4231 6.62128 -82.7305 -22.3037 -33.8967 8.25299 -32.2392 -0.471168 TIMING: 1436200 CPU: 4566.83, 0.00321493/step Wall: 4566.83, 0.00321493/step, 3.18261 hours remaining, 237.437500 MB of memory in use. ENERGY: 1436200 4018.2842 20470.8099 14476.9954 235.7597 -202936.1029 2255.8522 0.0000 0.0000 51871.7052 -109606.6961 298.1074 -161478.4014 -109254.6340 298.8532 -120.4024 -99.0627 762302.2958 0.2880 0.3235 LDB: ============= START OF LOAD BALANCING ============== 4579.29 LDB: ============== END OF LOAD BALANCING =============== 4579.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4579.29 LDB: ============= START OF LOAD BALANCING ============== 4579.61 LDB: Largest compute 7032 load 0.037655 is 19.3% of average load 0.195191 LDB: Average compute 0.004411 is 2.3% of average load 0.195191 LDB: TIME 4579.62 LOAD: AVG 0.195191 MAX 0.214393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.305 MB LDB: TIME 4579.62 LOAD: AVG 0.195191 MAX 0.214393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: TIME 4579.62 LOAD: AVG 0.195191 MAX 0.214393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: ============== END OF LOAD BALANCING =============== 4579.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4579.62 PRESSURE: 1436400 159.595 -268.204 32.1303 -268.204 -15.9508 32.2423 32.1306 32.2417 393.271 GPRESSURE: 1436400 150.085 -281.709 -14.6129 -56.8524 22.2085 22.7739 -32.9328 8.52114 432.14 PRESSAVG: 1436400 -97.8842 -57.6116 -8.49536 -57.6116 78.9328 13.5186 -8.4953 13.5185 2.81799 GPRESSAVG: 1436400 -97.2177 -59.6773 -6.82642 -57.4119 79.5946 12.382 -8.72342 13.9654 1.03226 TIMING: 1436400 CPU: 4567.49, 0.00328872/step Wall: 4567.49, 0.00328872/step, 3.25547 hours remaining, 237.179688 MB of memory in use. ENERGY: 1436400 3962.6939 20472.1708 14522.1946 232.3729 -203129.0366 2443.5804 0.0000 0.0000 52009.9440 -109486.0800 298.9019 -161496.0239 -109114.7051 298.4585 178.9717 201.4781 760695.9298 -5.3778 -5.5303 PRESSURE: 1436600 -144.561 -56.5635 -251.422 -56.5632 310.347 85.2547 -251.421 85.2551 -272.276 GPRESSURE: 1436600 -87.6222 -138.829 -261.065 -14.3579 337.714 56.1163 -246.833 96.2991 -256.414 PRESSAVG: 1436600 -46.1908 -53.9266 -51.0659 -53.9266 36.3405 -14.3493 -51.0659 -14.3493 9.81069 GPRESSAVG: 1436600 -46.2475 -49.8736 -51.4847 -56.7998 36.4389 -14.7321 -49.8566 -15.0134 10.1245 TIMING: 1436600 CPU: 4568.13, 0.00321466/step Wall: 4568.13, 0.00321466/step, 3.18197 hours remaining, 237.179688 MB of memory in use. ENERGY: 1436600 4030.8738 20345.9104 14489.4621 230.0137 -203321.6691 2613.6326 0.0000 0.0000 52177.7862 -109433.9904 299.8665 -161611.7766 -109068.8742 298.8571 -35.4962 -2.1073 762560.6156 -0.0132 0.1053 PRESSURE: 1436800 -123.573 -141.329 235.678 -141.329 -54.0519 -19.8201 235.678 -19.8206 623.551 GPRESSURE: 1436800 -96.1812 -180.092 232.975 -143.894 84.952 -115.382 333.821 115.85 547.911 PRESSAVG: 1436800 -35.1362 -40.5663 10.3128 -40.5663 11.8563 3.38494 10.3128 3.38502 8.17934 GPRESSAVG: 1436800 -36.3345 -45.2624 10.3267 -37.3359 13.8442 2.86824 10.3727 4.42822 6.78854 TIMING: 1436800 CPU: 4568.78, 0.00322167/step Wall: 4568.78, 0.00322167/step, 3.18873 hours remaining, 237.179688 MB of memory in use. ENERGY: 1436800 3981.3696 20318.7706 14467.2937 219.2988 -203427.4086 2872.0941 0.0000 0.0000 52075.8507 -109492.7310 299.2806 -161568.5817 -109127.9300 298.5617 148.6422 178.8938 761294.8359 -5.0335 -5.2339 PRESSURE: 1437000 -51.451 -135.7 68.9977 -135.7 -190.387 181.733 68.9974 181.733 -755.443 GPRESSURE: 1437000 -29.7413 -29.6349 59.2799 -153.131 -260.935 125.903 66.7447 93.3315 -601.93 PRESSAVG: 1437000 13.8865 -11.5679 -48.2765 -11.5678 14.5939 10.38 -48.2765 10.38 1.78484 GPRESSAVG: 1437000 15.0368 -10.2304 -48.1482 -12.8196 11.6144 10.698 -48.3773 9.08193 3.52034 TIMING: 1437000 CPU: 4569.42, 0.00320368/step Wall: 4569.42, 0.00320368/step, 3.17075 hours remaining, 237.179688 MB of memory in use. ENERGY: 1437000 4012.0671 20482.5850 14490.5971 254.1422 -203039.3158 2410.0652 0.0000 0.0000 51877.4517 -109512.4075 298.1404 -161389.8592 -109157.0902 299.1160 -332.4272 -297.5356 760952.5563 10.0884 10.0572 PRESSURE: 1437200 101.504 -114.027 271.956 -114.028 -301.764 -135.567 271.956 -135.567 -236.372 GPRESSURE: 1437200 14.7371 1.47092 253.516 -224.832 -197.686 -243.741 153.352 -98.0722 -168.621 PRESSAVG: 1437200 10.7119 -57.3891 41.9051 -57.389 0.658253 1.09094 41.9051 1.09092 8.3272 GPRESSAVG: 1437200 10.3156 -57.0103 41.7669 -57.44 2.75233 0.991682 40.5955 3.58803 7.07765 TIMING: 1437200 CPU: 4570.06, 0.00320614/step Wall: 4570.06, 0.00320614/step, 3.17301 hours remaining, 237.179688 MB of memory in use. ENERGY: 1437200 3944.0826 20438.6593 14457.8368 243.0930 -202792.5462 2183.3302 0.0000 0.0000 51869.3646 -109656.1797 298.0940 -161525.5443 -109292.4511 298.3571 -145.5436 -117.1900 761479.7249 6.5658 6.7152 PRESSURE: 1437400 -30.0091 -98.8395 95.8815 -98.8394 8.73229 -80.1435 95.8818 -80.1431 -76.3456 GPRESSURE: 1437400 21.0188 -76.5497 135.681 -14.7486 -35.5298 -53.843 153.422 -191.974 -1.22006 PRESSAVG: 1437400 -23.1023 -53.8242 -11.949 -53.8241 31.8638 -53.6079 -11.9491 -53.6079 3.38558 GPRESSAVG: 1437400 -22.534 -52.1828 -11.3944 -54.5056 30.3529 -52.8743 -9.61259 -56.8087 4.13561 TIMING: 1437400 CPU: 4570.71, 0.0032414/step Wall: 4570.71, 0.0032414/step, 3.20772 hours remaining, 237.179688 MB of memory in use. ENERGY: 1437400 4010.1163 20417.1082 14556.4263 230.1671 -203068.2131 2414.7612 0.0000 0.0000 51905.3148 -109534.3191 298.3006 -161439.6339 -109171.4707 298.7477 -32.5408 -5.2437 762566.2533 4.0490 3.9848 PRESSURE: 1437600 -137.805 -12.3484 -348.277 -12.348 -305.225 -47.3913 -348.277 -47.3915 1.59852 GPRESSURE: 1437600 -14.7461 -79.8388 -352.295 -2.67041 -273.616 -74.6614 -260.429 43.326 -60.8773 PRESSAVG: 1437600 15.5925 -45.1712 -1.64262 -45.1713 3.85966 0.303337 -1.64269 0.303315 21.851 GPRESSAVG: 1437600 15.5545 -45.0889 -2.1728 -43.9253 4.55531 0.78372 -2.52419 1.21822 20.7004 TIMING: 1437600 CPU: 4571.35, 0.00324105/step Wall: 4571.35, 0.00324105/step, 3.2072 hours remaining, 237.179688 MB of memory in use. ENERGY: 1437600 3976.8644 20463.7487 14436.1493 231.7660 -203035.4602 2324.8659 0.0000 0.0000 52093.4419 -109508.6240 299.3817 -161602.0659 -109146.0992 298.9393 -147.1437 -116.4133 761418.7433 13.7677 13.6034 PRESSURE: 1437800 -178.551 24.8895 -98.5987 24.89 177.48 -135.526 -98.599 -135.526 -166.741 GPRESSURE: 1437800 -135.027 35.6487 -115.163 66.5084 155.979 -114.319 15.3069 -212.98 -95.3076 PRESSAVG: 1437800 0.00365303 11.5658 35.2024 11.5658 -42.1209 -64.8984 35.2025 -64.8984 -22.414 GPRESSAVG: 1437800 -0.53947 10.2685 33.9892 9.50688 -42.0129 -64.4492 34.4858 -65.2191 -21.4263 TIMING: 1437800 CPU: 4572, 0.00323162/step Wall: 4572, 0.00323162/step, 3.19769 hours remaining, 237.179688 MB of memory in use. ENERGY: 1437800 4048.5614 20357.1710 14575.5839 239.9191 -203382.6833 2704.3163 0.0000 0.0000 51869.7855 -109587.3462 298.0964 -161457.1316 -109239.2973 298.6307 -55.9371 -24.7855 762029.2812 -21.5104 -21.3262 PRESSURE: 1438000 -82.1719 17.3205 -125.063 17.321 97.7587 107.605 -125.063 107.606 -41.0702 GPRESSURE: 1438000 -14.6388 95.7121 -130.43 103.582 119.122 55.3806 -58.7121 164.647 -43.6804 PRESSAVG: 1438000 -15.7625 7.37157 -6.91729 7.3715 -15.888 -84.764 -6.91727 -84.764 8.11327 GPRESSAVG: 1438000 -16.6033 7.14957 -6.72109 8.8923 -15.7882 -85.1761 -5.51319 -85.3106 8.29707 TIMING: 1438000 CPU: 4572.65, 0.00322635/step Wall: 4572.65, 0.00322635/step, 3.19229 hours remaining, 237.179688 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: 1438000 3938.9296 20441.7423 14466.6193 240.0070 -203345.1516 2580.7022 0.0000 0.0000 52077.3481 -109599.8029 299.2892 -161677.1511 -109228.1967 298.4349 -8.4945 20.2676 760905.5291 -7.8457 -8.0315 PRESSURE: 1438200 66.577 177.326 -183.209 177.326 -283.707 -37.9458 -183.209 -37.9474 -553.817 GPRESSURE: 1438200 91.1912 94.8327 -156.322 137.541 -290.676 -13.9878 -258.84 -85.2624 -504.767 PRESSAVG: 1438200 -10.6129 -54.8151 -31.5542 -54.8151 14.1495 -39.6494 -31.5543 -39.6495 28.3221 GPRESSAVG: 1438200 -9.80935 -55.6611 -28.5815 -53.8096 13.2046 -40.4574 -33.4183 -37.6809 28.2861 TIMING: 1438200 CPU: 4573.28, 0.00319046/step Wall: 4573.28, 0.00319046/step, 3.15661 hours remaining, 237.179688 MB of memory in use. ENERGY: 1438200 4036.6856 20397.6819 14452.0029 248.2341 -203328.5697 2520.5628 0.0000 0.0000 52092.7685 -109580.6339 299.3779 -161673.4024 -109222.5713 299.0227 -256.9826 -234.7505 760793.7682 10.6196 10.5604 PRESSURE: 1438400 -36.092 50.0484 -256.077 50.0488 -170.093 20.0136 -256.077 20.0138 -97.0818 GPRESSURE: 1438400 35.9211 12.3975 -203.048 -2.5213 -198.048 20.7148 -148.812 -157.456 -68.699 PRESSAVG: 1438400 39.2358 -51.9865 -26.5618 -51.9865 -21.509 -13.5201 -26.5618 -13.5202 -25.7235 GPRESSAVG: 1438400 39.9536 -51.2392 -28.6861 -54.4037 -22.0568 -13.6666 -23.9553 -12.9734 -26.389 TIMING: 1438400 CPU: 4573.93, 0.00320659/step Wall: 4573.93, 0.00320659/step, 3.17239 hours remaining, 237.179688 MB of memory in use. ENERGY: 1438400 4021.9089 20480.8857 14488.3039 240.4739 -203541.6644 2574.1824 0.0000 0.0000 52022.3291 -109713.5804 298.9730 -161735.9095 -109357.0694 298.6743 -101.0889 -76.9419 760395.9969 -2.6656 -2.8307 PRESSURE: 1438600 -147.852 -146.644 146.295 -146.644 210.769 13.7764 146.295 13.7756 -445.162 GPRESSURE: 1438600 -82.2232 -82.0461 136.428 -13.8603 190.416 -35.9126 124.155 -49.5933 -416.056 PRESSAVG: 1438600 -36.9269 -62.0405 8.12295 -62.0404 44.0445 -17.2189 8.12303 -17.2189 -6.43369 GPRESSAVG: 1438600 -36.2752 -60.822 8.08361 -58.6504 42.3606 -15.4821 7.05977 -20.5553 -5.71102 TIMING: 1438600 CPU: 4574.57, 0.00320762/step Wall: 4574.57, 0.00320762/step, 3.17323 hours remaining, 237.179688 MB of memory in use. ENERGY: 1438600 3946.1121 20548.8153 14560.7155 250.3406 -203108.7936 2294.8422 0.0000 0.0000 51815.9503 -109692.0175 297.7870 -161507.9679 -109327.8270 298.9218 -127.4150 -102.6210 761854.9063 0.2280 0.1248 PRESSURE: 1438800 115.915 8.67703 166.497 8.67695 84.8984 -196.925 166.498 -196.925 -263.373 GPRESSURE: 1438800 111.487 -85.7581 67.6997 1.68272 109.8 -119.951 203.884 -194.732 -189.665 PRESSAVG: 1438800 29.2753 -43.0868 4.73638 -43.0868 -11.177 -40.7557 4.7363 -40.7557 -10.4711 GPRESSAVG: 1438800 28.779 -43.9711 4.64691 -45.0298 -10.167 -42.1939 5.96362 -38.9237 -10.4353 TIMING: 1438800 CPU: 4575.21, 0.00322308/step Wall: 4575.21, 0.00322308/step, 3.18834 hours remaining, 237.179688 MB of memory in use. ENERGY: 1438800 4023.9820 20474.5167 14455.1897 245.0089 -203085.9445 2644.1530 0.0000 0.0000 51904.8216 -109338.2726 298.2977 -161243.0942 -108980.2505 298.8803 -20.8535 10.5410 759991.8127 2.5424 2.7256 PRESSURE: 1439000 118.382 -83.0748 25.9019 -83.0745 151.257 -72.4318 25.9021 -72.4317 126.51 GPRESSURE: 1439000 143.818 -63.3033 28.2752 -101.571 156.095 -48.0126 -171.123 -173.816 169.132 PRESSAVG: 1439000 51.6843 -2.09433 -16.8142 -2.09434 -30.5602 40.4886 -16.8143 40.4887 14.0414 GPRESSAVG: 1439000 50.8063 -1.28734 -17.7152 -2.30501 -30.3959 38.9785 -18.2533 41.7525 14.0533 TIMING: 1439000 CPU: 4575.86, 0.00322496/step Wall: 4575.86, 0.00322496/step, 3.19003 hours remaining, 237.179688 MB of memory in use. ENERGY: 1439000 3901.0392 20414.8145 14486.1374 234.8882 -203107.3200 2413.2798 0.0000 0.0000 52130.8028 -109526.3581 299.5964 -161657.1609 -109151.8027 299.5574 132.0496 156.3484 760522.7579 11.7219 11.4879 PRESSURE: 1439200 384.603 -80.9051 91.1576 -80.9051 -6.52864 167.132 91.1569 167.131 384.529 GPRESSURE: 1439200 479.185 -67.9999 24.9363 121.049 21.2278 197.6 118.342 38.8638 348.518 PRESSAVG: 1439200 -20.5963 -89.2827 -26.9364 -89.2827 -29.8965 -16.7734 -26.9363 -16.7734 -3.1085 GPRESSAVG: 1439200 -21.1059 -89.082 -26.952 -89.2825 -28.8534 -15.1978 -28.8955 -17.5193 -3.37774 TIMING: 1439200 CPU: 4576.5, 0.0032263/step Wall: 4576.5, 0.0032263/step, 3.19117 hours remaining, 237.179688 MB of memory in use. ENERGY: 1439200 3991.7068 20458.9278 14504.3622 241.0510 -203435.8354 2547.4166 0.0000 0.0000 52017.9230 -109674.4479 298.9477 -161692.3709 -109309.3490 299.2778 254.2012 282.9769 760059.4981 -17.8671 -17.7790 PRESSURE: 1439400 -184.804 -128.116 -115.806 -128.116 432.129 -13.7017 -115.806 -13.7025 292.131 GPRESSURE: 1439400 -56.5862 67.6442 -137.798 -61.3529 331.046 -24.2372 -102.781 77.1381 349.607 PRESSAVG: 1439400 -30.5333 -48.152 -8.36521 -48.1521 -0.271905 -51.2811 -8.36521 -51.2811 -23.8766 GPRESSAVG: 1439400 -29.7584 -47.8403 -7.5822 -48.8926 -0.464556 -50.3175 -7.79011 -52.17 -24.4542 TIMING: 1439400 CPU: 4577.14, 0.00320486/step Wall: 4577.14, 0.00320486/step, 3.16978 hours remaining, 237.179688 MB of memory in use. ENERGY: 1439400 4015.4219 20541.6488 14399.5439 230.5326 -203276.9223 2583.6925 0.0000 0.0000 52000.7469 -109505.3358 298.8490 -161506.0826 -109139.1075 298.9225 179.8187 208.0220 760503.1006 -18.2273 -18.2257 PRESSURE: 1439600 -469.666 -336.055 -24.9902 -336.055 -200.602 178.874 -24.9892 178.875 -277.266 GPRESSURE: 1439600 -445.755 -192.775 -64.5301 -320.475 -166.48 161.434 -47.1135 99.0818 -242.747 PRESSAVG: 1439600 -22.0411 -58.9797 -15.0706 -58.9797 51.4488 -0.672585 -15.0706 -0.672559 19.2982 GPRESSAVG: 1439600 -21.9572 -58.6992 -14.1907 -59.7448 51.3862 -0.818388 -13.4697 -0.689584 19.0874 TIMING: 1439600 CPU: 4577.78, 0.00321035/step Wall: 4577.78, 0.00321035/step, 3.17504 hours remaining, 237.179688 MB of memory in use. ENERGY: 1439600 4008.8704 20401.6586 14481.0795 241.7616 -202950.6169 2356.1301 0.0000 0.0000 51921.9811 -109539.1356 298.3963 -161461.1168 -109178.2577 299.3103 -315.8448 -284.9942 761717.9286 16.2353 16.1721 PRESSURE: 1439800 -31.958 96.97 -248.681 96.9704 26.4586 259.607 -248.681 259.607 -132.911 GPRESSURE: 1439800 109.574 57.0047 -169.995 102.138 -0.453355 274.784 -264.674 292.282 -178.227 PRESSAVG: 1439800 94.3176 -28.8618 -1.25817 -28.8617 -59.2301 45.5835 -1.25823 45.5835 -42.6742 GPRESSAVG: 1439800 95.3762 -30.5804 -0.861814 -27.9383 -59.8105 45.1066 -2.65529 46.4001 -42.59 TIMING: 1439800 CPU: 4578.43, 0.00321672/step Wall: 4578.43, 0.00321673/step, 3.18116 hours remaining, 237.179688 MB of memory in use. ENERGY: 1439800 3980.7466 20325.3708 14470.0902 241.5487 -203072.4118 2370.8089 0.0000 0.0000 51949.3016 -109734.5450 298.5534 -161683.8466 -109369.0017 298.8259 -46.1369 -23.0356 760965.7944 -2.5289 -2.3414 PRESSURE: 1440000 -301.54 56.3079 65.6237 56.3086 -203.655 -198.01 65.6243 -198.011 302.362 GPRESSURE: 1440000 -300.782 6.71432 144.564 -4.90348 -200.402 -233.419 126.028 -110.126 377.735 PRESSAVG: 1440000 19.7794 -47.1346 -26.9667 -47.1345 26.2609 30.3365 -26.9668 30.3365 12.0708 GPRESSAVG: 1440000 20.2626 -45.2456 -26.7959 -49.618 27.0354 30.6607 -26.3401 29.8141 11.9038 TIMING: 1440000 CPU: 4579.07, 0.00323245/step Wall: 4579.07, 0.00323245/step, 3.19654 hours remaining, 237.179688 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: 1440000 3980.8587 20453.1199 14505.4041 248.9471 -203385.6022 2700.2763 0.0000 0.0000 51738.2523 -109758.7438 297.3404 -161496.9961 -109412.8577 298.4301 -67.6110 -41.1498 762329.5375 19.3704 19.7340 PRESSURE: 1440200 -194.58 -99.4667 -0.380728 -99.4666 12.0387 45.6888 -0.380552 45.6887 -130.944 GPRESSURE: 1440200 -172.756 -125.787 -24.2938 -42.8456 38.1719 109.749 15.6937 -43.1369 -80.4676 PRESSAVG: 1440200 23.8807 -54.7187 -27.9263 -54.7188 18.4391 15.8532 -27.9264 15.8533 -4.70025 GPRESSAVG: 1440200 22.5338 -57.3871 -29.1395 -51.5922 19.6509 16.2048 -27.1485 13.7338 -4.31503 TIMING: 1440200 CPU: 4579.72, 0.00321089/step Wall: 4579.72, 0.00321089/step, 3.17503 hours remaining, 237.179688 MB of memory in use. ENERGY: 1440200 3935.6047 20452.4093 14513.7184 248.3693 -203132.7601 2404.8900 0.0000 0.0000 51995.3305 -109582.4378 298.8179 -161577.7683 -109224.0343 298.7654 -104.4948 -71.6838 762961.8308 12.5398 12.6232 LDB: ============= START OF LOAD BALANCING ============== 4592.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4592.18 LDB: =============== DONE WITH MIGRATION ================ 4592.18 LDB: ============= START OF LOAD BALANCING ============== 4592.5 LDB: Largest compute 7032 load 0.038702 is 19.8% of average load 0.195129 LDB: Average compute 0.004404 is 2.3% of average load 0.195129 LDB: TIME 4592.51 LOAD: AVG 0.195129 MAX 0.218691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.98 MB LDB: TIME 4592.51 LOAD: AVG 0.195129 MAX 0.218691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: TIME 4592.51 LOAD: AVG 0.195129 MAX 0.216882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.98 MB LDB: ============== END OF LOAD BALANCING =============== 4592.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4592.52 PRESSURE: 1440400 47.4606 -8.71701 105.323 -8.71735 250.459 55.4566 105.323 55.4569 33.9788 GPRESSURE: 1440400 183.13 47.7185 75.8295 -18.9304 163.196 79.5059 98.4807 30.1066 90.452 PRESSAVG: 1440400 42.0775 -16.5049 -51.948 -16.5049 55.6272 -0.114072 -51.9479 -0.114037 29.8217 GPRESSAVG: 1440400 41.7833 -14.6405 -51.0722 -18.8807 56.0835 0.849173 -54.4578 1.40591 30.3889 TIMING: 1440400 CPU: 4580.38, 0.00331545/step Wall: 4580.38, 0.00331545/step, 3.27825 hours remaining, 238.007812 MB of memory in use. ENERGY: 1440400 3952.7428 20405.3933 14459.8164 250.8627 -203515.8385 2661.1442 0.0000 0.0000 52245.7574 -109540.1217 300.2571 -161785.8791 -109176.7212 299.1085 110.6329 145.5927 761540.6299 42.5088 42.7519 PRESSURE: 1440600 266.459 68.2101 228.207 68.2093 21.673 -109.251 228.206 -109.252 166.425 GPRESSURE: 1440600 360.346 -25.4753 279.041 99.5887 14.3102 -157.188 142.749 -105.257 169.065 PRESSAVG: 1440600 -26.3686 -34.2552 37.1659 -34.2552 2.2517 -0.97458 37.1659 -0.974561 -13.7951 GPRESSAVG: 1440600 -25.1709 -38.0602 37.9127 -33.0861 1.31721 -4.28179 38.0526 -0.0767331 -13.8837 TIMING: 1440600 CPU: 4581.03, 0.0032419/step Wall: 4581.03, 0.00324191/step, 3.20534 hours remaining, 238.007812 MB of memory in use. ENERGY: 1440600 4027.7327 20336.4991 14463.5728 245.1150 -202908.8911 2610.6040 0.0000 0.0000 51961.2599 -109264.1077 298.6221 -161225.3676 -108897.3963 299.1505 151.5190 181.2402 762789.1387 -12.6373 -12.5791 PRESSURE: 1440800 -107.812 -16.9779 -107.793 -16.9777 -293.566 143.985 -107.794 143.985 154.616 GPRESSURE: 1440800 -184.042 6.39408 -111.344 -107.242 -141.16 152.829 -239.05 24.7186 168.96 PRESSAVG: 1440800 23.2773 -22.6685 -10.9207 -22.6684 35.0115 5.90124 -10.9207 5.90127 5.54262 GPRESSAVG: 1440800 22.9097 -21.1486 -10.3805 -21.5869 35.6453 7.00108 -11.7293 3.05756 5.03487 TIMING: 1440800 CPU: 4581.67, 0.0031955/step Wall: 4581.67, 0.0031955/step, 3.15929 hours remaining, 238.210938 MB of memory in use. ENERGY: 1440800 4078.6134 20347.3937 14410.5604 251.9712 -203128.1941 2626.7851 0.0000 0.0000 52205.0983 -109207.7721 300.0234 -161412.8704 -108836.1421 299.6564 -82.2543 -52.0810 763598.3034 21.2771 21.1966 PRESSURE: 1441000 -224.638 -19.1743 -37.684 -19.1742 -8.69874 231.939 -37.6841 231.94 -24.1284 GPRESSURE: 1441000 -74.159 -48.6665 -3.74087 -81.4865 -104.598 315.224 -24.2749 176.731 -4.04007 PRESSAVG: 1441000 24.0733 -24.3049 36.617 -24.3049 36.7712 1.0209 36.6172 1.0209 -17.9119 GPRESSAVG: 1441000 24.1702 -22.5292 35.9115 -26.4207 35.74 2.15279 37.9741 2.62861 -17.1882 TIMING: 1441000 CPU: 4582.31, 0.00321541/step Wall: 4582.31, 0.00321541/step, 3.17879 hours remaining, 238.210938 MB of memory in use. ENERGY: 1441000 3981.4391 20512.2324 14428.8927 255.1151 -203245.2919 2585.1298 0.0000 0.0000 52128.7577 -109353.7252 299.5847 -161482.4829 -108993.8589 299.6536 -85.8218 -60.9322 762160.4526 14.3109 14.2407 PRESSURE: 1441200 246.843 54.9042 162.004 54.9043 -143.075 -55.5423 162.004 -55.543 86.4313 GPRESSURE: 1441200 239.636 -82.5811 284.914 68.7826 -36.0875 -35.1124 160.305 20.0674 80.9714 PRESSAVG: 1441200 -44.0971 -84.2439 23.6714 -84.2439 23.485 41.39 23.6714 41.39 27.3608 GPRESSAVG: 1441200 -42.5129 -84.4521 23.5464 -83.2277 23.5125 39.7516 23.7304 41.8862 25.9091 TIMING: 1441200 CPU: 4582.96, 0.00325261/step Wall: 4582.96, 0.00325261/step, 3.21538 hours remaining, 238.210938 MB of memory in use. ENERGY: 1441200 3994.2960 20258.0090 14556.0541 240.5279 -202966.6848 2419.5928 0.0000 0.0000 52177.6483 -109320.5567 299.8657 -161498.2050 -108951.4076 299.3436 63.3999 94.8400 762460.2221 2.2496 2.3029 PRESSURE: 1441400 437.25 -250.353 65.0478 -250.354 -28.7023 125.593 65.0485 125.593 -179.456 GPRESSURE: 1441400 403.971 -225.1 109.776 -8.09627 -25.4532 158.097 159.645 108.261 -68.0923 PRESSAVG: 1441400 6.62447 -8.55199 3.56295 -8.55196 18.9473 -6.93456 3.56298 -6.93459 12.7239 GPRESSAVG: 1441400 5.03228 -9.00183 4.41716 -8.88194 19.263 -6.75796 4.35416 -9.27989 14.009 TIMING: 1441400 CPU: 4583.61, 0.00322689/step Wall: 4583.61, 0.00322689/step, 3.18978 hours remaining, 238.210938 MB of memory in use. ENERGY: 1441400 3896.2537 20468.3191 14417.1825 261.8831 -203041.5295 2478.0725 0.0000 0.0000 51860.1274 -109659.6913 298.0409 -161519.8187 -109295.0006 298.9208 76.3640 103.4752 761947.8843 12.7652 12.7681 PRESSURE: 1441600 -39.9857 -12.0777 12.8718 -12.0786 -265.582 146.594 12.8712 146.595 -127.36 GPRESSURE: 1441600 -61.3127 42.4492 30.1998 -58.1445 -207.524 192.511 -39.6328 105.377 -94.223 PRESSAVG: 1441600 28.6773 -15.2899 13.9122 -15.2899 -41.7907 8.23038 13.9122 8.2304 5.66546 GPRESSAVG: 1441600 28.35 -16.2526 14.1977 -14.1088 -41.571 8.43429 13.4365 11.8643 5.73658 TIMING: 1441600 CPU: 4584.25, 0.00321376/step Wall: 4584.25, 0.00321376/step, 3.17663 hours remaining, 238.210938 MB of memory in use. ENERGY: 1441600 3918.7472 20303.6747 14507.4543 252.0070 -202734.2128 2247.4680 0.0000 0.0000 51717.3238 -109787.5378 297.2202 -161504.8616 -109415.0590 298.1838 -144.3093 -121.0200 763082.2634 -2.4826 -2.4948 PRESSURE: 1441800 -82.556 -57.6045 57.8476 -57.6037 -178.65 -8.60107 57.8476 -8.60214 -64.0865 GPRESSURE: 1441800 -46.9485 -74.5285 17.4951 -129.745 -156.302 -14.7378 -25.7743 102.494 -52.0107 PRESSAVG: 1441800 40.7671 -60.5643 -15.1753 -60.5643 -13.7444 -15.9693 -15.1752 -15.9693 -4.82139 GPRESSAVG: 1441800 40.2312 -56.5598 -17.6423 -62.9507 -14.0787 -16.409 -14.4678 -17.505 -3.98037 TIMING: 1441800 CPU: 4584.89, 0.00320623/step Wall: 4584.89, 0.00320623/step, 3.169 hours remaining, 238.210938 MB of memory in use. ENERGY: 1441800 3908.1634 20380.1459 14476.4990 239.4906 -202935.0302 2336.0223 0.0000 0.0000 51770.6392 -109824.0698 297.5266 -161594.7090 -109473.1900 298.2586 -108.4310 -85.0872 761514.7039 7.4004 7.3907 PRESSURE: 1442000 147.865 20.085 -129.67 20.085 246.255 36.4072 -129.67 36.4079 -91.0153 GPRESSURE: 1442000 271.116 22.1235 -147.536 101.895 177.911 47.4406 67.3862 -13.8238 -57.2651 PRESSAVG: 1442000 31.2107 -8.97282 22.0791 -8.97282 -52.1245 -3.55521 22.0791 -3.55524 14.7122 GPRESSAVG: 1442000 32.6985 -12.4248 23.7228 -4.83206 -52.37 -3.74922 20.882 -5.84788 14.299 TIMING: 1442000 CPU: 4585.54, 0.00323034/step Wall: 4585.54, 0.00323034/step, 3.19265 hours remaining, 238.210938 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: 1442000 3979.8601 20394.7198 14502.9203 248.3270 -203840.1994 2944.8945 0.0000 0.0000 51844.4334 -109925.0443 297.9507 -161769.4777 -109562.5023 298.3107 101.0347 130.5874 762688.4526 -2.0672 -1.7908 PRESSURE: 1442200 12.5322 -114.172 56.5836 -114.172 -74.0378 -193.703 56.5838 -193.703 -300.175 GPRESSURE: 1442200 -90.8095 -46.3819 50.1429 -65.6132 66.9582 -138.511 -25.7132 -46.5112 -277.401 PRESSAVG: 1442200 -57.5878 -16.2549 -79.0947 -16.2549 35.9951 8.24 -79.0947 8.24002 -9.51344 GPRESSAVG: 1442200 -57.1173 -17.8164 -80.7265 -17.5738 36.3569 9.05433 -77.5024 8.02436 -10.6534 TIMING: 1442200 CPU: 4586.18, 0.00321857/step Wall: 4586.18, 0.00321857/step, 3.18084 hours remaining, 238.210938 MB of memory in use. ENERGY: 1442200 3956.6717 20495.2575 14516.5219 246.9529 -203368.3356 2627.3391 0.0000 0.0000 51660.1012 -109865.4914 296.8913 -161525.5926 -109516.3569 298.1785 -120.5601 -100.4176 760446.3642 -10.3687 -10.4712 PRESSURE: 1442400 11.4598 -173.233 -66.1608 -173.233 -285.592 220.246 -66.1605 220.247 75.9465 GPRESSURE: 1442400 -27.5789 -185.623 -22.8804 -122.576 -233.783 200.434 21.8676 251.591 145.721 PRESSAVG: 1442400 22.4155 -88.719 -13.1097 -88.719 -5.81205 -34.3012 -13.1097 -34.3012 19.6485 GPRESSAVG: 1442400 21.6268 -86.2889 -10.9528 -91.0776 -5.51251 -35.1541 -12.1755 -32.4392 20.6245 TIMING: 1442400 CPU: 4586.82, 0.00321588/step Wall: 4586.82, 0.00321588/step, 3.178 hours remaining, 238.210938 MB of memory in use. ENERGY: 1442400 4027.9280 20495.2758 14476.1181 263.2974 -203550.8285 2670.3143 0.0000 0.0000 51850.2147 -109767.6801 297.9839 -161617.8948 -109399.3566 298.3941 -66.0620 -38.5470 761173.1697 12.0840 12.2463 PRESSURE: 1442600 -22.2166 -60.4677 -119.876 -60.4678 62.493 -121.956 -119.876 -121.956 -143.97 GPRESSURE: 1442600 32.9357 -7.57101 -104.252 -83.1386 85.8545 -144.6 -51.5074 -92.5423 -132.784 PRESSAVG: 1442600 22.1219 -40.8788 -48.3208 -40.8788 13.584 -18.1539 -48.3207 -18.1539 -9.66196 GPRESSAVG: 1442600 22.0109 -43.1082 -48.623 -40.6132 14.0996 -18.6871 -49.8967 -18.6348 -9.45657 TIMING: 1442600 CPU: 4587.47, 0.00324282/step Wall: 4587.47, 0.00324282/step, 3.20445 hours remaining, 238.355469 MB of memory in use. ENERGY: 1442600 4043.8977 20388.5388 14488.2721 249.2117 -203196.4986 2318.8161 0.0000 0.0000 51907.2022 -109800.5600 298.3114 -161707.7621 -109439.2274 298.1567 -34.5646 -4.6645 759951.1748 8.6813 8.8846 PRESSURE: 1442800 -105.893 -9.98574 -20.669 -9.98596 107.346 -2.57909 -20.6687 -2.57905 -261.883 GPRESSURE: 1442800 -50.6211 -2.21806 -35.5365 -66.5387 52.5894 18.1474 -66.5641 -83.1691 -178.176 PRESSAVG: 1442800 -43.4194 -8.52051 15.4626 -8.52049 -17.5331 23.6541 15.4626 23.654 -3.53753 GPRESSAVG: 1442800 -43.0896 -8.50304 13.7447 -8.85809 -18.5517 23.2833 16.1886 24.7759 -3.9532 TIMING: 1442800 CPU: 4588.12, 0.00322204/step Wall: 4588.12, 0.00322204/step, 3.18373 hours remaining, 238.355469 MB of memory in use. ENERGY: 1442800 3996.2036 20375.3691 14603.3640 251.2565 -203303.2968 2424.0887 0.0000 0.0000 51861.6949 -109791.3201 298.0499 -161653.0150 -109437.0644 298.2747 -86.8100 -58.7358 760818.4848 -21.4967 -21.8648 PRESSURE: 1443000 1.83439 -227.146 -2.63651 -227.146 -336.159 22.0539 -2.63666 22.0547 -156.828 GPRESSURE: 1443000 7.89721 -156.217 10.9157 -34.4268 -280.529 43.1086 -63.3443 57.1453 -135.245 PRESSAVG: 1443000 20.0547 2.23462 24.4726 2.23457 -22.3261 -21.4722 24.4726 -21.4721 3.10009 GPRESSAVG: 1443000 19.1663 2.75139 26.1527 2.97744 -20.6684 -18.9592 21.6036 -23.7361 2.44384 TIMING: 1443000 CPU: 4588.76, 0.00323556/step Wall: 4588.76, 0.00323556/step, 3.19691 hours remaining, 238.355469 MB of memory in use. ENERGY: 1443000 3984.4681 20484.2938 14491.0842 259.3353 -203323.8303 2488.7479 0.0000 0.0000 51721.0149 -109894.8862 297.2414 -161615.9011 -109526.3311 298.1594 -163.7178 -135.9591 761322.7766 0.2762 0.3139 PRESSURE: 1443200 51.3109 -85.2815 -233.541 -85.2812 -129.603 -70.6336 -233.541 -70.6334 422.695 GPRESSURE: 1443200 110.843 -83.2026 -207.98 -121.772 -62.8805 -52.6093 -192.698 63.6619 387.339 PRESSAVG: 1443200 58.7165 -25.4825 -15.9935 -25.4825 -44.716 -51.6653 -15.9934 -51.6653 -13.2198 GPRESSAVG: 1443200 59.2558 -25.4576 -15.0572 -26.3155 -45.7039 -54.3447 -13.5228 -49.7052 -12.2975 TIMING: 1443200 CPU: 4589.41, 0.00322527/step Wall: 4589.41, 0.00322527/step, 3.18656 hours remaining, 238.355469 MB of memory in use. ENERGY: 1443200 3944.2109 20484.9574 14453.3177 252.8658 -203767.6655 2742.6434 0.0000 0.0000 52174.6291 -109715.0412 299.8483 -161889.6703 -109359.6736 299.1681 114.8008 145.1007 759317.9380 0.2602 0.4181 PRESSURE: 1443400 355.529 72.3371 160.443 72.3371 103.737 -69.0077 160.443 -69.0072 -121.383 GPRESSURE: 1443400 322.895 55.6475 239.839 17.7568 136.487 -107.395 264.817 -18.371 -44.6284 PRESSAVG: 1443400 58.6934 16.5827 25.807 16.5828 -38.3359 0.325208 25.8071 0.325203 0.993978 GPRESSAVG: 1443400 57.5596 15.9615 24.7083 17.564 -39.1093 2.50012 25.3365 -1.8719 2.80116 TIMING: 1443400 CPU: 4590.06, 0.00324155/step Wall: 4590.06, 0.00324155/step, 3.20247 hours remaining, 238.355469 MB of memory in use. ENERGY: 1443400 3982.0363 20662.3852 14446.3004 253.0211 -203648.3826 2742.7885 0.0000 0.0000 52059.1714 -109502.6797 299.1848 -161561.8511 -109144.2359 299.5413 112.6280 138.2512 760841.9188 7.1172 7.0838 PRESSURE: 1443600 -309.761 53.6346 -134.216 53.6343 -345.248 -25.8214 -134.215 -25.8202 -9.69024 GPRESSURE: 1443600 -220.813 88.013 -122.915 63.4453 -273.26 -180.502 -78.4157 72.1284 -90.562 PRESSAVG: 1443600 28.7051 -47.3893 8.00331 -47.3893 -60.9926 -0.336945 8.00331 -0.33694 -7.50588 GPRESSAVG: 1443600 29.9271 -46.7904 7.61031 -48.3192 -60.4013 -1.70671 7.602 0.0164976 -9.02679 TIMING: 1443600 CPU: 4590.7, 0.00322537/step Wall: 4590.7, 0.00322537/step, 3.18631 hours remaining, 238.355469 MB of memory in use. ENERGY: 1443600 3963.4518 20559.2620 14528.1937 259.3446 -203659.5557 2673.4857 0.0000 0.0000 52196.3223 -109479.4956 299.9730 -161675.8179 -109117.4490 299.5269 -221.5665 -194.8784 763189.2880 -13.2644 -13.1670 PRESSURE: 1443800 -267.827 -6.34875 -35.3157 -6.34884 183.124 -5.21324 -35.3155 -5.21316 -111.137 GPRESSURE: 1443800 -163.454 -37.4088 -27.0891 -38.4042 173.424 -17.749 -148.063 6.81351 -124.227 PRESSAVG: 1443800 6.42981 -3.86561 -40.346 -3.86558 -7.73501 -17.9925 -40.346 -17.9925 -5.41618 GPRESSAVG: 1443800 7.07117 -4.63164 -41.5299 -4.2056 -7.70246 -16.5757 -39.2066 -19.1598 -6.00701 TIMING: 1443800 CPU: 4591.34, 0.00319802/step Wall: 4591.34, 0.00319802/step, 3.15911 hours remaining, 238.355469 MB of memory in use. ENERGY: 1443800 3942.9783 20681.1272 14527.3747 240.8831 -203140.1136 2383.4084 0.0000 0.0000 52111.7927 -109252.5491 299.4872 -161364.3419 -108892.6860 299.5485 -65.2799 -38.0860 761136.8131 -2.2405 -2.2128 PRESSURE: 1444000 -0.606731 5.29145 -164.799 5.29167 -180.527 -54.8027 -164.799 -54.8029 -362.747 GPRESSURE: 1444000 10.8333 -21.7629 -187.95 -90.4738 -104.28 -78.767 -58.3499 -68.385 -362.78 PRESSAVG: 1444000 9.84826 18.9206 -19.368 18.9206 5.86272 -1.54026 -19.3679 -1.54025 -25.222 GPRESSAVG: 1444000 9.65461 18.6726 -19.2008 17.9061 5.13967 -1.95908 -19.5087 0.388874 -24.2372 TIMING: 1444000 CPU: 4591.98, 0.00320285/step Wall: 4591.98, 0.00320285/step, 3.16371 hours remaining, 238.355469 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: 1444000 3956.5105 20508.7692 14532.1286 254.1174 -203311.7904 2647.3272 0.0000 0.0000 52056.4990 -109356.4385 299.1694 -161412.9375 -108991.9822 299.4752 -181.2936 -152.0757 763774.3788 -3.1703 -3.1476 PRESSURE: 1444200 7.57832 -127.085 79.2838 -127.085 -72.5473 -73.1881 79.2834 -73.1886 -250.751 GPRESSURE: 1444200 -22.7379 -312.363 98.2772 -24.209 -79.648 -185.392 30.9456 48.5775 -135.53 PRESSAVG: 1444200 20.1153 59.6472 -8.09242 59.6472 11.7781 -15.2706 -8.09241 -15.2705 -4.40269 GPRESSAVG: 1444200 18.6504 57.9665 -6.54694 61.7295 13.0499 -16.6743 -9.41526 -15.0553 -4.20046 TIMING: 1444200 CPU: 4592.62, 0.00321194/step Wall: 4592.62, 0.00321194/step, 3.1725 hours remaining, 238.355469 MB of memory in use. ENERGY: 1444200 4003.1867 20531.4550 14501.8126 248.9911 -202884.9839 2171.5800 0.0000 0.0000 52027.6526 -109400.3061 299.0036 -161427.9586 -109030.9553 299.8706 -105.2398 -79.3054 762149.4179 9.1636 9.1666 LDB: ============= START OF LOAD BALANCING ============== 4605.08 LDB: ============== END OF LOAD BALANCING =============== 4605.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4605.08 LDB: ============= START OF LOAD BALANCING ============== 4605.4 LDB: Largest compute 7060 load 0.037641 is 19.3% of average load 0.195178 LDB: Average compute 0.004424 is 2.3% of average load 0.195178 LDB: TIME 4605.41 LOAD: AVG 0.195178 MAX 0.213221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.695 MB LDB: TIME 4605.41 LOAD: AVG 0.195178 MAX 0.213221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 4605.41 LOAD: AVG 0.195178 MAX 0.213221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 4605.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4605.41 PRESSURE: 1444400 105.389 58.4466 207.252 58.4472 -298.402 -343.668 207.252 -343.669 423.801 GPRESSURE: 1444400 100.291 140.971 148.179 13.02 -174.447 -430.663 198.139 -366.137 369.498 PRESSAVG: 1444400 -29.3782 -13.485 20.9244 -13.485 31.2772 -43.5802 20.9243 -43.5802 -23.933 GPRESSAVG: 1444400 -28.7512 -11.2355 19.7883 -14.8201 31.0208 -42.9553 21.8374 -46.8878 -24.6979 TIMING: 1444400 CPU: 4593.28, 0.00327202/step Wall: 4593.28, 0.00327202/step, 3.23166 hours remaining, 236.871094 MB of memory in use. ENERGY: 1444400 4029.1307 20405.6810 14541.5379 255.4109 -203297.4554 2396.3485 0.0000 0.0000 52241.2569 -109428.0894 300.2312 -161669.3463 -109056.3764 299.6138 76.9291 98.4473 761922.0352 -7.3447 -7.4761 PRESSURE: 1444600 -320.275 57.7996 -70.5841 57.8003 -293.794 -82.0342 -70.5842 -82.0342 -262.997 GPRESSURE: 1444600 -199.409 147.231 -23.6371 71.6408 -379.038 -38.1772 -47.4166 125.425 -169.255 PRESSAVG: 1444600 26.8127 -28.0696 23.8779 -28.0696 -17.3238 -29.9221 23.8779 -29.9221 23.3654 GPRESSAVG: 1444600 27.7926 -29.5352 25.9433 -26.7609 -18.4832 -30.8756 21.1193 -24.4412 23.6558 TIMING: 1444600 CPU: 4593.92, 0.00319762/step Wall: 4593.92, 0.00319763/step, 3.15801 hours remaining, 236.871094 MB of memory in use. ENERGY: 1444600 4044.7760 20563.7916 14530.0024 240.9101 -203221.2323 2499.2990 0.0000 0.0000 52082.5308 -109259.9223 299.3190 -161342.4531 -108903.4179 299.4890 -292.3551 -249.2341 761266.4015 10.9515 10.9884 PRESSURE: 1444800 -102.763 -124.093 47.861 -124.092 -21.6533 202.271 47.8619 202.27 -127.204 GPRESSURE: 1444800 -35.7027 -46.9575 35.3044 -111.767 -1.13337 164.506 174.709 117.482 -148.337 PRESSAVG: 1444800 -25.8563 -34.8424 15.0597 -34.8425 -44.2666 -17.1179 15.0597 -17.1179 12.7799 GPRESSAVG: 1444800 -25.1877 -34.1614 12.5716 -35.5515 -44.4723 -16.2624 18.4488 -19.8451 12.4977 TIMING: 1444800 CPU: 4594.56, 0.0031974/step Wall: 4594.56, 0.0031974/step, 3.15761 hours remaining, 236.871094 MB of memory in use. ENERGY: 1444800 4081.1850 20516.5863 14469.5254 245.9684 -203041.8778 2391.4612 0.0000 0.0000 52038.9151 -109298.2364 299.0684 -161337.1515 -108934.1658 299.4867 -83.8736 -61.7245 760490.5786 -19.1143 -19.0541 PRESSURE: 1445000 0.159237 -18.9451 129.066 -18.9459 179.405 190.154 129.066 190.156 322.346 GPRESSURE: 1445000 -4.79387 -36.5755 128.138 -112.414 200.551 155.101 61.9445 191.178 387.258 PRESSAVG: 1445000 6.47379 -72.9032 6.78548 -72.9032 18.2853 -39.8191 6.78549 -39.8191 8.00861 GPRESSAVG: 1445000 4.61661 -73.8769 6.06409 -72.505 19.5811 -40.3505 7.27761 -39.0369 8.29113 TIMING: 1445000 CPU: 4595.2, 0.00322243/step Wall: 4595.2, 0.00322243/step, 3.18215 hours remaining, 236.871094 MB of memory in use. ENERGY: 1445000 3953.0699 20513.5108 14492.7243 265.1676 -203673.8685 2724.2942 0.0000 0.0000 52252.3759 -109472.7258 300.2951 -161725.1017 -109110.5912 299.0055 167.3035 194.3382 759363.5278 10.9226 10.8296 PRESSURE: 1445200 166.459 -107.689 60.2907 -107.688 62.5071 -98.2577 60.2904 -98.2573 -301.125 GPRESSURE: 1445200 209.687 -65.2232 -10.8565 -60.8522 143.413 -135.928 94.769 9.1654 -345.276 PRESSAVG: 1445200 20.9371 -16.1019 38.9768 -16.1019 2.99651 -14.0827 38.9768 -14.0828 15.9398 GPRESSAVG: 1445200 21.4672 -15.5024 38.6085 -15.7221 3.18301 -13.7335 37.9358 -14.0346 15.6709 TIMING: 1445200 CPU: 4595.84, 0.00320571/step Wall: 4595.84, 0.00320571/step, 3.16546 hours remaining, 236.871094 MB of memory in use. ENERGY: 1445200 3994.2893 20470.4712 14436.2403 278.1176 -203396.8892 2667.5932 0.0000 0.0000 52232.3970 -109317.7808 300.1803 -161550.1777 -108956.2917 299.4928 -24.0530 2.6079 761149.7493 13.2911 13.4404 PRESSURE: 1445400 107.639 164.295 -0.696055 164.294 -393.294 -0.198418 -0.695409 -0.197443 -12.4591 GPRESSURE: 1445400 64.6562 287.604 81.8483 60.5249 -346.458 -18.1697 65.5715 -119.539 66.1592 PRESSAVG: 1445400 41.1215 -14.2723 56.503 -14.2722 -34.4097 -18.7125 56.5031 -18.7125 4.96392 GPRESSAVG: 1445400 41.1847 -15.954 56.7013 -13.4909 -34.4717 -18.8419 57.7898 -18.462 4.90665 TIMING: 1445400 CPU: 4596.48, 0.00320146/step Wall: 4596.48, 0.00320146/step, 3.16109 hours remaining, 236.871094 MB of memory in use. ENERGY: 1445400 3996.4330 20422.3406 14496.4889 241.1090 -202928.9735 2318.9627 0.0000 0.0000 52207.1538 -109246.4856 300.0352 -161453.6393 -108873.4039 299.6890 -99.3715 -71.8809 761002.1463 3.8919 3.8732 PRESSURE: 1445600 -98.0264 -117.09 104.269 -117.09 56.0979 73.2812 104.27 73.2808 269.278 GPRESSURE: 1445600 -10.2147 -16.6837 50.292 -244.452 83.3588 5.61336 118.335 17.8008 217.67 PRESSAVG: 1445600 -5.89725 -20.5234 75.1381 -20.5235 32.9098 0.685641 75.1381 0.68566 -19.5481 GPRESSAVG: 1445600 -5.22108 -19.1691 75.6391 -22.4734 31.8636 1.63572 73.4028 -1.75044 -18.9768 TIMING: 1445600 CPU: 4597.12, 0.00317639/step Wall: 4597.12, 0.00317639/step, 3.13616 hours remaining, 236.871094 MB of memory in use. ENERGY: 1445600 4019.4092 20340.2417 14499.4668 253.4605 -202813.5887 2233.5213 0.0000 0.0000 52445.7745 -109021.7147 301.4066 -161467.4892 -108663.1628 299.8442 75.7833 96.9379 759632.7963 2.4882 2.5552 PRESSURE: 1445800 -248.639 58.1637 -98.0757 58.1626 -177.138 -79.2365 -98.075 -79.2371 -66.2865 GPRESSURE: 1445800 -213.952 -12.8025 -150.163 67.3294 -143.749 -160.993 9.77248 -97.8567 -69.2583 PRESSAVG: 1445800 8.86453 -4.88798 -2.19786 -4.88795 -30.7731 26.2244 -2.19785 26.2245 22.0902 GPRESSAVG: 1445800 7.58044 -6.20704 -2.45217 -2.86643 -30.3074 24.4567 -0.341624 28.5776 22.6504 TIMING: 1445800 CPU: 4597.76, 0.00318921/step Wall: 4597.76, 0.00318921/step, 3.14863 hours remaining, 236.871094 MB of memory in use. ENERGY: 1445800 4029.0688 20684.0453 14515.4231 247.8592 -203046.5751 2375.1722 0.0000 0.0000 52166.8832 -109028.1233 299.8038 -161195.0065 -108669.5554 300.6403 -164.0212 -142.3198 760135.8183 0.0605 -0.0255 PRESSURE: 1446000 39.0009 78.103 55.8844 78.1039 132.254 154.216 55.8852 154.217 462.451 GPRESSURE: 1446000 113.379 110.613 116.825 97.693 138.218 198.258 74.1046 142.223 448.906 PRESSAVG: 1446000 -5.41233 -1.39181 -24.9744 -1.39186 -38.965 -7.25211 -24.9743 -7.2521 2.0835 GPRESSAVG: 1446000 -4.67157 0.743385 -23.661 -2.88862 -38.8957 -6.08649 -27.4743 -8.53559 0.943914 TIMING: 1446000 CPU: 4598.39, 0.00318391/step Wall: 4598.39, 0.00318391/step, 3.14323 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1446000 3950.8938 20515.9498 14513.8871 268.0198 -202938.0001 2487.1875 0.0000 0.0000 52308.1442 -108893.9180 300.6156 -161202.0622 -108531.3644 300.1159 211.2354 233.5011 760872.4302 -14.0979 -14.2078 PRESSURE: 1446200 -9.67128 -146.998 160.405 -146.998 -130.327 22.4563 160.404 22.4572 -167.504 GPRESSURE: 1446200 4.73718 -120.728 62.3823 -157.847 -138.36 20.2106 260.717 -115.461 -67.098 PRESSAVG: 1446200 37.6928 -12.7081 -54.2265 -12.7081 -9.55006 -31.1093 -54.2265 -31.1093 18.0719 GPRESSAVG: 1446200 37.8202 -14.0431 -55.6052 -10.5096 -9.60156 -31.6333 -51.3514 -30.0044 18.4818 TIMING: 1446200 CPU: 4599.03, 0.00317416/step Wall: 4599.03, 0.00317416/step, 3.13342 hours remaining, 236.871094 MB of memory in use. ENERGY: 1446200 4015.1447 20588.8178 14534.3278 270.9838 -203157.6224 2490.3807 0.0000 0.0000 52352.3760 -108905.5915 300.8698 -161257.9675 -108542.9531 300.0986 -102.5009 -66.9070 759872.0090 15.4049 15.5668 PRESSURE: 1446400 362.699 88.0034 -147.032 88.0048 124.555 142.667 -147.032 142.668 346.019 GPRESSURE: 1446400 371.979 10.2957 -155.383 245.968 119.15 201.227 -34.1066 177.208 421.028 PRESSAVG: 1446400 59.0616 -31.445 -70.3392 -31.4449 -76.4058 -56.9868 -70.3392 -56.9868 -11.3763 GPRESSAVG: 1446400 59.2244 -31.4591 -71.3917 -33.2209 -76.7113 -55.1621 -72.399 -57.575 -11.245 TIMING: 1446400 CPU: 4599.67, 0.00318522/step Wall: 4599.67, 0.00318522/step, 3.14416 hours remaining, 236.871094 MB of memory in use. ENERGY: 1446400 3982.3354 20667.8955 14499.8542 248.2508 -203245.0598 2768.9756 0.0000 0.0000 52242.7470 -108835.0014 300.2398 -161077.7483 -108480.1711 300.4877 277.7575 304.0526 761590.0589 -9.5735 -9.5773 PRESSURE: 1446600 197.564 90.6228 31.0145 90.6232 52.3818 -108.648 31.0148 -108.647 -23.3789 GPRESSURE: 1446600 152.017 77.4194 64.2019 14.5211 73.0906 -151.096 -16.0557 -32.596 80.7998 PRESSAVG: 1446600 65.734 -6.12532 -14.9729 -6.1253 -81.4935 7.67055 -14.9729 7.67062 3.26034 GPRESSAVG: 1446600 64.3239 -6.00083 -14.0094 -5.43914 -80.0691 6.78677 -12.8498 7.36984 3.84803 TIMING: 1446600 CPU: 4600.31, 0.00320177/step Wall: 4600.31, 0.00320177/step, 3.16032 hours remaining, 236.871094 MB of memory in use. ENERGY: 1446600 3948.5561 20537.1627 14548.9242 255.7842 -203101.9781 2620.2776 0.0000 0.0000 52200.9602 -108990.3131 299.9996 -161191.2733 -108627.9076 299.9388 75.5223 101.9690 761718.5755 -4.1664 -3.9657 PRESSURE: 1446800 74.1677 71.9217 -223.853 71.921 -243.159 17.8045 -223.852 17.8049 246.862 GPRESSURE: 1446800 222.016 142.208 -202.57 -47.2523 -274.545 -0.964043 -119.702 107.736 206.489 PRESSAVG: 1446800 28.2787 78.7517 -7.91525 78.7517 -26.9815 -36.7388 -7.91514 -36.7388 -16.1809 GPRESSAVG: 1446800 30.3056 78.5293 -7.44004 77.1975 -28.5248 -35.9404 -10.1519 -36.4157 -17.1798 TIMING: 1446800 CPU: 4600.95, 0.0032333/step Wall: 4600.95, 0.0032333/step, 3.19127 hours remaining, 236.871094 MB of memory in use. ENERGY: 1446800 4093.2079 20465.6290 14539.7115 273.0383 -202963.5102 2402.9212 0.0000 0.0000 52302.5515 -108886.4509 300.5835 -161189.0024 -108524.3760 300.4769 25.9570 51.3201 760704.6917 -4.9612 -5.1330 PRESSURE: 1447000 -9.49334 154.246 300.461 154.245 -29.0894 -20.7996 300.461 -20.7988 -104.911 GPRESSURE: 1447000 14.0067 179.724 174.533 140.996 36.0856 -6.54931 281.221 11.1862 -86.1718 PRESSAVG: 1447000 66.7501 -33.1001 -13.0781 -33.1001 -31.134 9.66843 -13.0781 9.66848 31.6574 GPRESSAVG: 1447000 65.6855 -33.5508 -12.9897 -33.2232 -30.9042 8.56795 -11.1631 9.78908 32.8929 TIMING: 1447000 CPU: 4601.6, 0.00321494/step Wall: 4601.6, 0.00321494/step, 3.17297 hours remaining, 236.871094 MB of memory in use. ENERGY: 1447000 4007.0967 20325.0498 14462.9114 242.1484 -203105.1402 2476.9695 0.0000 0.0000 52470.8058 -109120.1585 301.5504 -161590.9643 -108747.1298 300.5860 -47.8314 -12.0265 762433.6828 22.4245 22.5581 PRESSURE: 1447200 -208.978 -85.6079 55.6334 -85.6086 -459.13 128.357 55.6328 128.358 -126.598 GPRESSURE: 1447200 -241.697 -85.1195 49.9684 63.4413 -318.473 107.12 191.766 15.1065 -168.506 PRESSAVG: 1447200 51.2544 -34.5156 23.0855 -34.5156 -62.5608 48.6419 23.0854 48.6419 13.1107 GPRESSAVG: 1447200 50.7857 -36.3913 23.2595 -32.3115 -61.3875 50.1699 21.5317 48.2176 12.5225 TIMING: 1447200 CPU: 4602.24, 0.00323075/step Wall: 4602.24, 0.00323075/step, 3.1884 hours remaining, 236.871094 MB of memory in use. ENERGY: 1447200 4006.1937 20498.0599 14557.1452 218.3501 -202787.5564 2276.6094 0.0000 0.0000 52068.3121 -109162.8859 299.2373 -161231.1980 -108798.4172 299.6352 -264.9021 -242.8922 762200.1892 0.6014 0.6402 PRESSURE: 1447400 -566.217 -150.113 -392.303 -150.113 -474.637 -16.7046 -392.304 -16.7043 -241.153 GPRESSURE: 1447400 -541.963 -244.699 -340.458 -25.2363 -453.031 -85.534 -277.844 37.1579 -182.545 PRESSAVG: 1447400 80.5177 9.09091 30.281 9.09087 -5.44072 55.0109 30.281 55.0109 16.1773 GPRESSAVG: 1447400 80.7227 10.248 30.1798 11.1223 -6.5607 54.213 30.9481 56.9088 17.2055 TIMING: 1447400 CPU: 4602.89, 0.00322738/step Wall: 4602.89, 0.00322738/step, 3.18488 hours remaining, 236.871094 MB of memory in use. ENERGY: 1447400 3978.9957 20509.6236 14531.3193 257.6907 -202510.7794 2047.5406 0.0000 0.0000 52135.6556 -109049.9540 299.6243 -161185.6096 -108686.2263 299.3542 -427.3357 -392.5130 759610.3525 30.4181 30.4558 PRESSURE: 1447600 -167.915 -3.75703 -21.6629 -3.75684 -344.711 161.032 -21.6622 161.033 -72.4381 GPRESSURE: 1447600 -105.8 16.3174 55.8239 -52.7751 -336.335 150.435 -21.4209 53.3775 -63.197 PRESSAVG: 1447600 12.9984 -48.7832 15.8428 -48.7833 14.3788 85.3847 15.8428 85.3846 -7.85145 GPRESSAVG: 1447600 14.8416 -46.8206 16.2352 -52.4824 13.8145 85.7611 14.2488 83.7472 -9.10857 TIMING: 1447600 CPU: 4603.53, 0.00323283/step Wall: 4603.53, 0.00323283/step, 3.19008 hours remaining, 236.871094 MB of memory in use. ENERGY: 1447600 3994.7804 20467.3003 14431.6594 227.4695 -202351.4876 1796.5094 0.0000 0.0000 52189.5201 -109244.2486 299.9339 -161433.7687 -108886.4646 299.1390 -195.0213 -168.4440 760764.3683 6.5086 6.5158 PRESSURE: 1447800 -50.1207 245.042 77.9644 245.042 -92.7808 97.5841 77.965 97.5835 357.586 GPRESSURE: 1447800 81.8064 137.935 130.635 88.1887 -66.0883 166.419 76.1805 25.4071 277.058 PRESSAVG: 1447800 67.4053 18.4432 6.88996 18.4432 -72.3524 37.2466 6.88994 37.2466 -29.9678 GPRESSAVG: 1447800 67.5939 18.972 6.33842 17.2165 -71.8097 36.1739 8.4601 38.8915 -31.1709 TIMING: 1447800 CPU: 4604.17, 0.00319311/step Wall: 4604.17, 0.00319311/step, 3.15071 hours remaining, 236.871094 MB of memory in use. ENERGY: 1447800 4000.4830 20428.0398 14521.3105 262.2435 -203305.6768 2788.2848 0.0000 0.0000 51983.5898 -109321.7255 298.7504 -161305.3152 -108956.7000 299.5315 71.5617 97.5920 760173.0587 -11.6383 -11.7956 PRESSURE: 1448000 -27.1777 -81.0561 13.1338 -81.0553 25.6423 44.8978 13.1341 44.8986 81.2406 GPRESSURE: 1448000 12.6478 -3.40479 -38.2386 45.8328 1.83929 8.00083 53.1436 12.2054 132.116 PRESSAVG: 1448000 27.7854 35.2979 25.3971 35.2979 -30.9489 25.9693 25.3971 25.9693 18.7803 GPRESSAVG: 1448000 26.2677 34.2894 23.7482 37.8198 -31.074 27.3289 23.907 25.5558 20.9989 TIMING: 1448000 CPU: 4604.81, 0.00319805/step Wall: 4604.81, 0.00319805/step, 3.15541 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1448000 3835.5251 20612.5231 14391.2269 251.4050 -203107.2334 2498.2158 0.0000 0.0000 52227.9578 -109290.3797 300.1548 -161518.3375 -108924.8161 299.6346 26.5684 48.8677 761275.8037 5.2056 5.3975 PRESSURE: 1448200 -372.502 13.9075 -141.6 13.907 -299.23 -31.9986 -141.6 -32.0004 -330.576 GPRESSURE: 1448200 -331.967 73.9864 -135.294 -30.7525 -228.99 -2.81884 -115.237 35.8036 -333.776 PRESSAVG: 1448200 35.2676 -18.5493 -40.3974 -18.5494 -44.7457 -12.901 -40.3975 -12.9011 -10.6194 GPRESSAVG: 1448200 34.8639 -17.0656 -40.0259 -17.9056 -43.5694 -14.7354 -37.2414 -10.95 -11.3602 TIMING: 1448200 CPU: 4605.45, 0.00318717/step Wall: 4605.45, 0.00318717/step, 3.14449 hours remaining, 236.871094 MB of memory in use. ENERGY: 1448200 3969.8366 20464.1126 14510.2011 273.6569 -203104.8777 2332.5253 0.0000 0.0000 52253.1305 -109301.4146 300.2995 -161554.5451 -108934.5296 299.3743 -334.1029 -298.2441 761387.0050 -6.6992 -6.6885 LDB: ============= START OF LOAD BALANCING ============== 4617.91 LDB: ============== END OF LOAD BALANCING =============== 4617.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4617.91 LDB: ============= START OF LOAD BALANCING ============== 4618.23 LDB: Largest compute 7078 load 0.036804 is 18.9% of average load 0.195162 LDB: Average compute 0.004402 is 2.3% of average load 0.195162 LDB: TIME 4618.23 LOAD: AVG 0.195162 MAX 0.21316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.664 MB LDB: TIME 4618.23 LOAD: AVG 0.195162 MAX 0.21316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: TIME 4618.23 LOAD: AVG 0.195162 MAX 0.21316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.867 MB LDB: ============== END OF LOAD BALANCING =============== 4618.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4618.24 PRESSURE: 1448400 -8.77109 108.19 -9.88459 108.189 138.391 31.9619 -9.88482 31.9631 94.2791 GPRESSURE: 1448400 83.258 80.6027 -4.81088 13.8029 116.629 22.5945 -73.4312 40.3911 128.886 PRESSAVG: 1448400 65.471 32.6222 -8.72851 32.6222 -27.2 66.6527 -8.72846 66.6526 4.38332 GPRESSAVG: 1448400 64.9037 31.7131 -6.79741 30.822 -27.0104 66.3157 -12.5291 63.5983 4.65008 TIMING: 1448400 CPU: 4606.1, 0.00326586/step Wall: 4606.1, 0.00326586/step, 3.22195 hours remaining, 237.894531 MB of memory in use. ENERGY: 1448400 4075.2625 20527.4085 14461.6485 246.1594 -203539.4069 2698.3533 0.0000 0.0000 52039.6647 -109490.9101 299.0727 -161530.5748 -109132.6690 299.3663 74.6330 109.5909 761600.0098 14.2181 14.1811 PRESSURE: 1448600 8.6311 61.044 -126.235 61.0437 169.912 -127.744 -126.234 -127.744 -60.2996 GPRESSURE: 1448600 14.6117 50.1268 -82.4507 85.6982 214.069 -206.418 -110.744 63.7103 -38.7354 PRESSAVG: 1448600 14.0789 55.8467 -25.0219 55.8466 11.9462 18.8585 -25.0219 18.8585 11.4361 GPRESSAVG: 1448600 15.8942 55.8045 -26.6537 57.0721 10.8053 20.0194 -24.9291 22.4545 10.3716 TIMING: 1448600 CPU: 4606.75, 0.00322934/step Wall: 4606.75, 0.00322934/step, 3.18574 hours remaining, 237.894531 MB of memory in use. ENERGY: 1448600 3978.4067 20531.7126 14519.0385 243.1089 -203508.5021 2555.2422 0.0000 0.0000 51945.1271 -109735.8660 298.5294 -161680.9931 -109367.0496 298.7815 39.4144 63.3152 760603.4732 12.4871 12.3570 PRESSURE: 1448800 -140.574 291.86 86.2759 291.86 235.016 20.9127 86.2764 20.9126 -216.957 GPRESSURE: 1448800 -77.3414 241.572 127.618 255.693 235.439 112.78 89.2409 -51.7765 -188.944 PRESSAVG: 1448800 73.2499 15.7936 -36.5993 15.7936 -31.8862 6.74877 -36.5993 6.74874 13.0952 GPRESSAVG: 1448800 72.6329 15.6197 -35.6787 15.15 -30.7109 6.74634 -35.9217 6.53342 12.7882 TIMING: 1448800 CPU: 4607.39, 0.00318401/step Wall: 4607.39, 0.00318401/step, 3.14085 hours remaining, 237.894531 MB of memory in use. ENERGY: 1448800 3930.1035 20426.3664 14527.1026 221.4633 -203908.3901 2791.4193 0.0000 0.0000 52146.8996 -109865.0356 299.6889 -162011.9351 -109493.5003 298.6438 -40.8386 -10.2821 761049.6310 18.1530 18.2367 PRESSURE: 1449000 54.848 -53.2012 -185.612 -53.2002 -66.3523 57.9761 -185.612 57.9755 -270.586 GPRESSURE: 1449000 106.843 20.8238 -131.377 -6.79739 -97.8577 127.642 -193.225 -102.43 -215.633 PRESSAVG: 1449000 42.7671 3.91595 -22.6701 3.916 -45.362 34.0641 -22.6701 34.0641 1.90936 GPRESSAVG: 1449000 42.4438 3.9626 -23.4036 3.44075 -45.7091 34.0208 -20.806 30.7375 2.53408 TIMING: 1449000 CPU: 4608.03, 0.00321777/step Wall: 4608.03, 0.00321777/step, 3.17398 hours remaining, 237.894531 MB of memory in use. ENERGY: 1449000 4018.4988 20478.1630 14465.1390 228.3709 -203524.8454 2536.9096 0.0000 0.0000 52024.0501 -109773.7141 298.9829 -161797.7642 -109401.3020 298.4758 -94.0302 -68.8824 761510.3624 -0.2285 -0.2438 PRESSURE: 1449200 182.15 15.5528 -2.09976 15.5534 -182.797 18.0115 -2.09962 18.0115 -186.503 GPRESSURE: 1449200 203.768 131.86 -29.4482 6.09197 -151.199 110.183 120.117 50.836 -142.792 PRESSAVG: 1449200 80.8229 -24.603 -48.3864 -24.603 -54.7894 39.0305 -48.3864 39.0305 -21.3866 GPRESSAVG: 1449200 82.3061 -26.1105 -48.4839 -22.9356 -55.1111 39.56 -48.7139 39.1104 -22.5598 TIMING: 1449200 CPU: 4608.68, 0.00325559/step Wall: 4608.68, 0.00325559/step, 3.2111 hours remaining, 237.894531 MB of memory in use. ENERGY: 1449200 3969.0692 20555.3675 14509.1753 259.0374 -203237.8653 2510.4854 0.0000 0.0000 51899.1864 -109535.5441 298.2653 -161434.7305 -109175.5534 299.2142 -62.3832 -30.0741 761909.1545 1.5490 1.5451 PRESSURE: 1449400 59.2589 65.2984 218.992 65.2984 -363.239 -80.3414 218.993 -80.3403 -186.44 GPRESSURE: 1449400 76.0631 -13.9122 155.677 67.197 -336.465 -133.837 164.107 -78.7571 -138.532 PRESSAVG: 1449400 58.4625 -28.1389 19.2091 -28.1389 -66.762 46.73 19.2091 46.73 -9.55581 GPRESSAVG: 1449400 57.2229 -27.4377 20.1974 -29.122 -65.8875 45.8546 16.3198 49.1317 -9.25906 TIMING: 1449400 CPU: 4609.32, 0.00321524/step Wall: 4609.32, 0.00321524/step, 3.17112 hours remaining, 237.894531 MB of memory in use. ENERGY: 1449400 4030.6031 20713.8007 14502.1695 248.5531 -203931.6761 2861.3096 0.0000 0.0000 52127.7425 -109447.4976 299.5789 -161575.2401 -109088.3031 298.9640 -163.4732 -132.9779 762207.9654 -5.9518 -5.9745 PRESSURE: 1449600 -151.956 -224.078 -58.0841 -224.078 -142.479 25.3719 -58.085 25.3709 -631.987 GPRESSURE: 1449600 -64.498 -168.86 -15.7451 -170.972 -190.661 97.3443 -129.072 -69.0399 -592.277 PRESSAVG: 1449600 20.4817 -56.0891 -5.68401 -56.0891 -42.2932 29.4145 -5.68402 29.4145 7.2897 GPRESSAVG: 1449600 20.7915 -56.8647 -5.88265 -57.4177 -43.1464 30.1821 -6.03948 27.767 7.76049 TIMING: 1449600 CPU: 4609.96, 0.00319445/step Wall: 4609.96, 0.00319445/step, 3.15044 hours remaining, 237.894531 MB of memory in use. ENERGY: 1449600 4037.8535 20525.7884 14490.3635 245.1086 -203380.5722 2571.0402 0.0000 0.0000 52003.4932 -109506.9247 298.8648 -161510.4179 -109137.5112 299.1960 -308.8072 -282.4787 763748.7621 -4.8406 -4.8648 PRESSURE: 1449800 59.1432 21.4302 -38.1764 21.4297 -109.437 169.431 -38.1772 169.43 -99.963 GPRESSURE: 1449800 68.104 31.9206 -20.6948 27.7672 -61.6409 182.783 6.52861 199.384 -71.9892 PRESSAVG: 1449800 32.0171 -17.4746 -18.8488 -17.4746 -3.64086 38.3704 -18.8488 38.3703 12.2128 GPRESSAVG: 1449800 32.0559 -15.9887 -18.0062 -17.3257 -3.50119 38.6285 -17.0172 38.8209 12.1063 TIMING: 1449800 CPU: 4610.6, 0.00320202/step Wall: 4610.6, 0.00320203/step, 3.15773 hours remaining, 237.894531 MB of memory in use. ENERGY: 1449800 4060.0367 20613.6320 14505.9696 233.3066 -203661.6888 2706.4705 0.0000 0.0000 52193.9503 -109348.3232 299.9593 -161542.2735 -108993.9082 299.2649 -50.0858 -21.8421 762197.6149 13.5297 13.5537 PRESSURE: 1450000 -365.826 -5.22379 160.876 -5.22311 -178.758 -69.2185 160.877 -69.2179 -329.417 GPRESSURE: 1450000 -400.414 47.8512 73.4112 10.1259 -160.02 -110.403 118.142 55.5346 -239.65 PRESSAVG: 1450000 -21.0982 -36.8134 29.7345 -36.8134 -22.4055 -20.2779 29.7344 -20.2779 -15.5006 GPRESSAVG: 1450000 -22.1379 -37.5644 30.2383 -36.4028 -22.9772 -22.0791 26.6636 -18.9029 -13.955 TIMING: 1450000 CPU: 4611.24, 0.0031913/step Wall: 4611.24, 0.0031913/step, 3.14698 hours remaining, 237.894531 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: 1450000 3942.5279 20430.3543 14492.7390 237.9590 -203288.9813 2502.3288 0.0000 0.0000 52174.8118 -109508.2605 299.8494 -161683.0723 -109129.2106 299.4277 -291.3335 -266.6945 763502.9057 -19.6681 -19.6900 PRESSURE: 1450200 120.736 -4.07736 89.2595 -4.0771 106.439 98.1492 89.2597 98.1498 -53.4087 GPRESSURE: 1450200 239.503 -2.46453 65.1014 -52.6699 56.796 138.97 196.575 -130.019 -45.8434 PRESSAVG: 1450200 -43.1208 -40.5639 -10.4888 -40.5639 48.7491 -13.1001 -10.4888 -13.1001 7.74521 GPRESSAVG: 1450200 -41.8154 -41.247 -12.5198 -40.1597 49.1094 -10.7927 -8.04297 -14.5353 6.71088 TIMING: 1450200 CPU: 4611.88, 0.00318339/step Wall: 4611.88, 0.00318339/step, 3.139 hours remaining, 237.894531 MB of memory in use. ENERGY: 1450200 3928.7611 20554.7929 14439.2266 241.2161 -203489.2700 2598.2128 0.0000 0.0000 52218.5550 -109508.5055 300.1008 -161727.0605 -109150.7656 299.0551 57.9221 83.4853 760393.0137 4.4578 4.6683 PRESSURE: 1450400 -98.4025 -66.6887 -32.4178 -66.6889 -103.441 -149.957 -32.4176 -149.957 -289.74 GPRESSURE: 1450400 -2.41022 -52.1699 6.58672 -147.149 -124.594 -50.0144 -58.2435 -115.193 -303.782 PRESSAVG: 1450400 45.6071 -63.4664 8.76984 -63.4665 20.7303 -9.25369 8.76985 -9.25374 6.79873 GPRESSAVG: 1450400 44.7194 -62.1191 10.4137 -63.1116 20.7414 -9.15312 8.97382 -8.93674 7.31682 TIMING: 1450400 CPU: 4612.52, 0.00319903/step Wall: 4612.52, 0.00319903/step, 3.15424 hours remaining, 237.894531 MB of memory in use. ENERGY: 1450400 4086.4454 20792.9055 14574.4603 239.0990 -203650.7575 2718.4001 0.0000 0.0000 51822.6057 -109416.8415 297.8252 -161239.4472 -109060.2254 298.9917 -163.8615 -143.5954 761278.4399 24.3787 24.2592 PRESSURE: 1450600 54.3206 -46.8562 22.472 -46.8561 198.083 0.745157 22.4723 0.74463 -266.233 GPRESSURE: 1450600 70.7818 32.286 -6.07975 15.0752 290.88 7.83461 -4.11206 -75.6077 -285.03 PRESSAVG: 1450600 -22.7472 -23.9676 -30.5602 -23.9676 9.21316 5.42216 -30.5602 5.42221 -24.0034 GPRESSAVG: 1450600 -22.5892 -25.5954 -32.0751 -22.1409 10.3907 4.7573 -31.8032 6.08072 -24.6729 TIMING: 1450600 CPU: 4613.16, 0.00323662/step Wall: 4613.16, 0.00323662/step, 3.19113 hours remaining, 237.894531 MB of memory in use. ENERGY: 1450600 4011.4323 20677.9330 14480.0837 249.8653 -203492.8790 2702.8903 0.0000 0.0000 51801.6374 -109569.0371 297.7047 -161370.6745 -109209.0344 298.5892 -4.6097 25.5439 762481.1881 -12.5125 -12.2905 PRESSURE: 1450800 77.71 -202.729 148.661 -202.728 44.4909 127.347 148.66 127.347 435.423 GPRESSURE: 1450800 238.331 -178.234 177.108 -159.871 10.1225 166.996 81.7694 74.6789 402.341 PRESSAVG: 1450800 -6.39047 -71.7551 -34.6437 -71.7551 -35.5868 -13.9948 -34.6437 -13.9947 -28.2787 GPRESSAVG: 1450800 -5.90808 -69.3738 -36.1986 -74.7131 -36.0803 -14.6436 -31.6711 -15.1879 -28.5318 TIMING: 1450800 CPU: 4613.81, 0.00324778/step Wall: 4613.81, 0.00324778/step, 3.20195 hours remaining, 237.894531 MB of memory in use. ENERGY: 1450800 4023.8616 20593.0665 14499.9847 241.2208 -203748.7811 2906.6953 0.0000 0.0000 52206.2220 -109277.7302 300.0299 -161483.9522 -108921.3167 299.1807 185.8745 216.9314 760720.4395 -23.4187 -23.5067 PRESSURE: 1451000 129.816 38.4788 -160.671 38.4796 -108.694 11.0766 -160.671 11.0758 92.1738 GPRESSURE: 1451000 223.789 26.9347 -159.924 -91.1035 -178.048 96.3802 -187.137 -99.8658 140.205 PRESSAVG: 1451000 12.5038 -40.7773 -26.2392 -40.7773 5.73281 -11.8708 -26.2391 -11.8709 2.83726 GPRESSAVG: 1451000 12.8659 -43.1335 -24.4816 -39.1054 4.89063 -11.7834 -28.4972 -12.2603 3.32467 TIMING: 1451000 CPU: 4614.46, 0.00323117/step Wall: 4614.46, 0.00323117/step, 3.18539 hours remaining, 237.894531 MB of memory in use. ENERGY: 1451000 4023.0516 20553.8258 14498.4170 243.1340 -203826.4488 2613.8683 0.0000 0.0000 52487.6322 -109406.5199 301.6471 -161894.1521 -109037.4305 299.5755 37.7655 61.9820 759820.3356 7.0246 7.0271 PRESSURE: 1451200 -337.761 184.292 -2.42889 184.292 -191.034 233.395 -2.42884 233.396 -1.84803 GPRESSURE: 1451200 -295.904 185.385 -2.14937 162.934 -120.624 287.221 -48.3202 158.172 -26.1277 PRESSAVG: 1451200 -26.4729 -11.3618 -9.87238 -11.3618 21.7187 3.93533 -9.8724 3.93536 -21.125 GPRESSAVG: 1451200 -27.016 -9.56992 -10.3135 -12.8661 22.6695 4.2797 -10.1235 2.90421 -21.1459 TIMING: 1451200 CPU: 4615.1, 0.00321869/step Wall: 4615.1, 0.00321869/step, 3.17292 hours remaining, 237.894531 MB of memory in use. ENERGY: 1451200 3924.3221 20713.5771 14468.8188 260.5530 -203650.0948 2506.7420 0.0000 0.0000 52243.5233 -109532.5585 300.2442 -161776.0819 -109173.2605 299.5485 -176.8809 -147.5519 760388.5298 -8.6264 -8.4974 PRESSURE: 1451400 31.6403 8.22023 -59.6224 8.21985 39.4513 -189.204 -59.6221 -189.204 -202.121 GPRESSURE: 1451400 152.716 -31.2637 -33.5251 38.0651 -30.9776 -107.521 53.9904 -229.749 -163.998 PRESSAVG: 1451400 -22.2211 -40.629 -13.2289 -40.6289 47.9826 7.92269 -13.2289 7.92261 -12.5069 GPRESSAVG: 1451400 -21.6378 -42.3969 -12.8537 -38.9909 47.5746 6.71679 -13.8842 10.2033 -12.5888 TIMING: 1451400 CPU: 4615.75, 0.0032198/step Wall: 4615.75, 0.0032198/step, 3.17383 hours remaining, 237.894531 MB of memory in use. ENERGY: 1451400 3924.5499 20610.7521 14490.5509 233.8637 -203257.1569 2640.3622 0.0000 0.0000 51916.9370 -109440.1411 298.3674 -161357.0781 -109077.3806 299.0469 -43.6764 -14.0864 762820.3879 4.4182 4.4493 PRESSURE: 1451600 -200.907 -77.4738 32.9757 -77.4737 -290.882 26.6755 32.9757 26.6757 -212.028 GPRESSURE: 1451600 -170.396 31.0975 -39.6292 -42.9085 -264.855 46.706 134.68 12.8629 -210.549 PRESSAVG: 1451600 -2.63787 15.7848 33.5697 15.7849 -9.61937 -23.8798 33.5697 -23.8798 11.4867 GPRESSAVG: 1451600 -3.28419 17.2571 33.3706 14.8969 -9.00256 -23.7668 33.7525 -23.532 11.8147 TIMING: 1451600 CPU: 4616.39, 0.00320415/step Wall: 4616.39, 0.00320415/step, 3.15823 hours remaining, 237.894531 MB of memory in use. ENERGY: 1451600 4010.7217 20627.0645 14527.3395 241.0201 -202944.7509 2454.7833 0.0000 0.0000 52038.6823 -109045.1395 299.0670 -161083.8218 -108684.6504 299.1868 -234.6057 -215.2665 763129.4901 -0.2568 -0.1573 PRESSURE: 1451800 109.371 -208.908 48.1818 -208.907 -142.233 -39.1192 48.1812 -39.1205 -52.5609 GPRESSURE: 1451800 174.653 -225.434 87.0401 -229.466 -88.7392 -65.7399 138.71 -3.50424 -102.249 PRESSAVG: 1451800 -21.7199 -7.55397 6.55877 -7.55397 30.5583 29.9959 6.55874 29.9959 -6.25912 GPRESSAVG: 1451800 -21.3522 -8.16476 8.30461 -6.88552 31.4215 29.0147 6.66857 28.8533 -7.35593 TIMING: 1451800 CPU: 4617.04, 0.0032327/step Wall: 4617.04, 0.0032327/step, 3.18618 hours remaining, 237.894531 MB of memory in use. ENERGY: 1451800 4030.3574 20434.0761 14522.9533 228.3010 -203243.2774 2631.9747 0.0000 0.0000 52296.6795 -109098.9354 300.5497 -161395.6149 -108734.0791 299.1630 -28.4744 -5.4452 762383.1674 0.8598 0.9045 PRESSURE: 1452000 92.0368 9.84981 -81.1122 9.85023 -85.7338 172.697 -81.112 172.697 -287.429 GPRESSURE: 1452000 -28.3477 7.03584 -3.3557 81.134 1.55653 145.351 -19.81 179.637 -158.189 PRESSAVG: 1452000 -16.5755 15.9595 -16.3366 15.9595 6.03913 1.75604 -16.3366 1.75593 -8.65879 GPRESSAVG: 1452000 -16.6726 18.0197 -15.6865 15.2353 5.86359 2.6831 -16.4633 1.65669 -8.06542 TIMING: 1452000 CPU: 4617.67, 0.00319186/step Wall: 4617.67, 0.00319186/step, 3.14576 hours remaining, 237.894531 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: 1452000 4033.0183 20581.0848 14535.1595 253.0386 -202918.0704 2724.9376 0.0000 0.0000 51763.9809 -109026.8508 297.4883 -160790.8316 -108675.2164 299.6770 -93.7086 -61.6600 760037.1358 -6.3984 -6.2915 PRESSURE: 1452200 84.5116 -172.297 174.279 -172.297 -404.689 25.3374 174.278 25.3371 -1.63347 GPRESSURE: 1452200 84.6275 -204.249 144.949 -58.4743 -337.926 -15.8963 173.032 190.119 29.3303 PRESSAVG: 1452200 -19.9753 -31.151 15.4393 -31.1509 33.6979 12.0232 15.4393 12.0232 -0.438231 GPRESSAVG: 1452200 -19.1385 -33.6696 12.3811 -29.2672 33.9426 12.1905 15.2553 12.6666 -1.80229 TIMING: 1452200 CPU: 4618.31, 0.0031879/step Wall: 4618.31, 0.0031879/step, 3.14167 hours remaining, 237.894531 MB of memory in use. ENERGY: 1452200 3953.1593 20599.0317 14556.3981 238.1023 -202919.5667 2379.9195 0.0000 0.0000 52412.2909 -108780.6648 301.2142 -161192.9557 -108410.5374 300.2296 -107.2702 -74.6560 761213.0901 4.4281 4.3339 LDB: ============= START OF LOAD BALANCING ============== 4630.77 LDB: ============== END OF LOAD BALANCING =============== 4630.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4630.77 LDB: ============= START OF LOAD BALANCING ============== 4631.1 LDB: Largest compute 7078 load 0.037887 is 19.4% of average load 0.195189 LDB: Average compute 0.004419 is 2.3% of average load 0.195189 LDB: TIME 4631.1 LOAD: AVG 0.195189 MAX 0.213479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 4631.1 LOAD: AVG 0.195189 MAX 0.213479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: TIME 4631.1 LOAD: AVG 0.195189 MAX 0.213479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.508 MB LDB: ============== END OF LOAD BALANCING =============== 4631.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4631.11 PRESSURE: 1452400 170.081 341.365 -6.39564 341.364 44.1545 155.045 -6.396 155.045 -131.316 GPRESSURE: 1452400 221.382 284.055 -17.468 248.425 106.125 160.188 27.4343 155.58 -163.813 PRESSAVG: 1452400 22.5491 -46.7629 -7.72734 -46.7629 -38.693 28.0772 -7.72735 28.0772 -3.52459 GPRESSAVG: 1452400 21.3646 -45.9439 -5.88113 -50.8637 -38.9077 29.5412 -7.43099 27.2957 -2.83516 TIMING: 1452400 CPU: 4618.97, 0.00329946/step Wall: 4618.97, 0.00329946/step, 3.25143 hours remaining, 236.871094 MB of memory in use. ENERGY: 1452400 3988.7609 20608.6653 14582.7647 236.3052 -203064.9299 2527.1216 0.0000 0.0000 52309.7594 -108811.5529 300.6249 -161121.3123 -108458.0839 300.4243 27.6398 54.5643 760636.9498 -6.5562 -6.7928 PRESSURE: 1452600 -280.322 -103.548 -118.239 -103.549 -167.43 -25.7027 -118.239 -25.7028 152.457 GPRESSURE: 1452600 -255.806 -136.885 -88.3471 -170.556 -110.844 24.9518 -200.125 -68.6685 156.613 PRESSAVG: 1452600 35.1431 -30.959 2.08461 -30.959 -30.4703 -23.1753 2.08461 -23.1753 -0.0460664 GPRESSAVG: 1452600 36.6655 -30.9834 0.797902 -29.2167 -32.4023 -23.0695 3.38211 -23.4272 0.206159 TIMING: 1452600 CPU: 4619.62, 0.00322358/step Wall: 4619.62, 0.00322358/step, 3.17648 hours remaining, 236.871094 MB of memory in use. ENERGY: 1452600 4012.3661 20580.0964 14634.5129 259.0675 -203003.6289 2678.8963 0.0000 0.0000 52087.6522 -108751.0375 299.3485 -160838.6897 -108391.7473 300.2656 -98.4318 -70.0122 763154.7252 1.5423 1.4898 PRESSURE: 1452800 -153.596 -31.6081 11.3723 -31.6082 -127.942 -24.2075 11.3711 -24.2068 -521.657 GPRESSURE: 1452800 -120.735 -41.6712 -50.7567 88.7211 -144.114 -20.9719 125.217 -49.6115 -465.759 PRESSAVG: 1452800 28.3052 -10.7647 -9.49606 -10.7647 -18.4958 26.2804 -9.4961 26.2804 -7.90972 GPRESSAVG: 1452800 27.9345 -8.98459 -9.19547 -11.2315 -17.8319 25.1901 -7.65286 26.6632 -8.2309 TIMING: 1452800 CPU: 4620.26, 0.00321022/step Wall: 4620.26, 0.00321022/step, 3.16314 hours remaining, 236.871094 MB of memory in use. ENERGY: 1452800 4113.2803 20673.4617 14444.9013 252.8549 -202894.9910 2185.1076 0.0000 0.0000 52290.3040 -108935.0813 300.5131 -161225.3853 -108576.5773 300.2606 -267.7317 -243.5361 762643.2835 0.6332 0.6239 PRESSURE: 1453000 12.6473 -165.185 8.07563 -165.185 205.752 -44.5565 8.07627 -44.5564 -37.9394 GPRESSURE: 1453000 140.859 -110.204 14.3731 -180.589 158.211 35.6351 103.814 -201.259 -20.1412 PRESSAVG: 1453000 59.6878 -41.3108 -34.8225 -41.3107 -28.0411 17.558 -34.8225 17.558 4.08143 GPRESSAVG: 1453000 58.4758 -42.2898 -33.123 -39.5555 -26.8656 18.7706 -37.759 17.7722 4.44295 TIMING: 1453000 CPU: 4620.91, 0.00323747/step Wall: 4620.91, 0.00323747/step, 3.18981 hours remaining, 236.871094 MB of memory in use. ENERGY: 1453000 3963.4038 20449.5150 14479.9290 252.3185 -202862.8514 2488.2221 0.0000 0.0000 52073.6902 -109155.7729 299.2682 -161229.4631 -108806.5875 300.0223 60.1532 92.9762 762603.4809 11.9094 12.0177 PRESSURE: 1453200 206.438 25.6539 18.2046 25.6535 -10.5645 102.651 18.2046 102.651 509.922 GPRESSURE: 1453200 274.119 -22.6737 -10.3831 55.4754 -21.4119 39.5828 -22.323 49.2165 541.63 PRESSAVG: 1453200 -0.099794 9.32027 39.6052 9.32031 -19.2441 24.2473 39.6053 24.2472 -10.9009 GPRESSAVG: 1453200 0.46866 8.47521 38.2303 7.00566 -20.0105 22.3981 39.3609 24.8675 -10.032 TIMING: 1453200 CPU: 4621.56, 0.00325028/step Wall: 4621.56, 0.00325028/step, 3.20224 hours remaining, 236.871094 MB of memory in use. ENERGY: 1453200 3887.4509 20464.8385 14544.2400 242.7403 -203018.1122 2435.1542 0.0000 0.0000 52160.0162 -109283.6720 299.7643 -161443.6883 -108919.9261 299.2578 235.2650 264.7790 762015.7354 -10.0816 -9.8579 PRESSURE: 1453400 -32.0325 114.923 -188.489 114.923 11.8997 36.4979 -188.489 36.4974 -398.446 GPRESSURE: 1453400 24.1542 111.913 -107.582 37.0648 -3.43663 20.77 -221.604 180.945 -380.689 PRESSAVG: 1453400 -19.3534 8.07255 51.0164 8.07259 17.8015 -10.9057 51.0165 -10.9057 1.65739 GPRESSAVG: 1453400 -19.4538 7.51314 49.6289 10.312 18.8557 -10.5332 50.737 -7.98126 1.01819 TIMING: 1453400 CPU: 4622.2, 0.00322891/step Wall: 4622.2, 0.00322891/step, 3.18102 hours remaining, 236.871094 MB of memory in use. ENERGY: 1453400 4027.7374 20467.4616 14496.9887 253.1059 -202669.8130 2367.5949 0.0000 0.0000 51919.8409 -109137.0836 298.3840 -161056.9245 -108790.3886 299.1001 -139.5262 -119.9904 763197.8784 0.0352 0.1400 PRESSURE: 1453600 262.397 -21.8905 190.907 -21.8906 91.8627 38.7966 190.907 38.7967 -688.366 GPRESSURE: 1453600 235.75 -70.0451 187.736 33.8578 177.197 -17.3509 136.232 -53.4809 -645.634 PRESSAVG: 1453600 -18.0444 8.11702 71.561 8.11704 3.19044 -46.4339 71.5611 -46.4339 -4.25923 GPRESSAVG: 1453600 -17.5174 6.97092 73.4084 8.93068 1.74807 -46.0337 72.7408 -49.3361 -2.9137 TIMING: 1453600 CPU: 4622.86, 0.00327707/step Wall: 4622.86, 0.00327707/step, 3.22827 hours remaining, 236.871094 MB of memory in use. ENERGY: 1453600 4007.9827 20430.5349 14519.3136 238.0839 -203140.9218 2713.0302 0.0000 0.0000 52055.6041 -109176.3725 299.1643 -161231.9766 -108813.5171 298.9113 -111.3688 -77.5626 763543.5384 -6.3710 -6.2277 PRESSURE: 1453800 38.9221 70.8396 122.257 70.8393 -83.6788 125.235 122.257 125.236 258.905 GPRESSURE: 1453800 135.539 100.738 102.858 31.3864 -152.838 35.5725 173.815 91.2153 307.391 PRESSAVG: 1453800 -19.7908 -18.5226 20.6617 -18.5226 31.6823 -21.4009 20.6616 -21.4009 21.6339 GPRESSAVG: 1453800 -20.8988 -14.3191 18.5553 -20.1969 32.8755 -20.9074 21.0794 -21.1816 21.756 TIMING: 1453800 CPU: 4623.5, 0.00323875/step Wall: 4623.5, 0.00323875/step, 3.19035 hours remaining, 236.871094 MB of memory in use. ENERGY: 1453800 3956.6974 20628.2576 14535.8477 270.7891 -203001.7551 2352.5953 0.0000 0.0000 52152.3875 -109105.1805 299.7205 -161257.5680 -108751.1409 299.2144 71.3829 96.6973 760693.6463 11.1751 11.2442 PRESSURE: 1454000 18.8205 18.4919 137.19 18.492 20.3218 -57.3524 137.191 -57.352 56.5555 GPRESSURE: 1454000 180.487 31.2282 -23.3572 26.8335 -62.9869 -117.423 177.693 -111.607 79.2126 PRESSAVG: 1454000 20.6026 -32.1327 34.0161 -32.1327 -6.93283 -3.68703 34.0161 -3.68708 -4.45129 GPRESSAVG: 1454000 21.5638 -35.5852 34.7905 -32.241 -6.30513 -3.92876 33.3061 -4.59792 -6.32342 TIMING: 1454000 CPU: 4624.15, 0.00324181/step Wall: 4624.15, 0.00324181/step, 3.19318 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1454000 4120.6312 20535.6253 14524.5897 248.6018 -203044.4504 2649.3420 0.0000 0.0000 51854.2278 -109111.4325 298.0070 -160965.6603 -108758.4384 299.3215 31.8993 65.5709 761140.2161 3.0728 2.9784 PRESSURE: 1454200 26.9999 69.6259 -26.4361 69.6264 130.65 -190.338 -26.4359 -190.339 148.44 GPRESSURE: 1454200 45.7158 144.633 -56.6964 -4.34576 91.197 -188.135 -72.1277 -149.818 249.201 PRESSAVG: 1454200 -6.78267 -14.6135 24.6244 -14.6135 9.91089 -32.5278 24.6245 -32.5278 -1.46377 GPRESSAVG: 1454200 -7.91956 -12.9269 25.3305 -15.2454 9.97156 -33.1898 23.6491 -32.0079 0.0457002 TIMING: 1454200 CPU: 4624.79, 0.00320071/step Wall: 4624.79, 0.00320071/step, 3.15252 hours remaining, 236.871094 MB of memory in use. ENERGY: 1454200 3903.3846 20468.7820 14528.2198 250.1091 -203078.4314 2746.6748 0.0000 0.0000 52122.2490 -109059.0121 299.5473 -161181.2611 -108683.4374 300.0235 102.0299 128.7045 763339.1251 0.5548 0.6992 PRESSURE: 1454400 -122.065 168.321 182.399 168.321 -45.3233 -221.472 182.4 -221.472 -322.664 GPRESSURE: 1454400 -32.9742 328.711 153.737 124.233 -63.4313 -114.439 115.04 -190.924 -298.791 PRESSAVG: 1454400 9.77365 -43.8669 35.5492 -43.8669 -1.67707 25.0231 35.5492 25.0231 -16.3375 GPRESSAVG: 1454400 11.4018 -44.3768 34.4182 -42.6054 -2.65325 25.6236 36.4456 25.7029 -16.9191 TIMING: 1454400 CPU: 4625.43, 0.00319761/step Wall: 4625.43, 0.00319761/step, 3.14929 hours remaining, 236.871094 MB of memory in use. ENERGY: 1454400 3966.8493 20498.1701 14582.1014 252.5114 -203092.8208 2504.0688 0.0000 0.0000 52142.4346 -109146.6853 299.6633 -161289.1198 -108778.2438 299.6391 -163.3509 -131.7320 761618.3054 -2.7470 -2.7235 PRESSURE: 1454600 59.1962 45.8076 -30.5366 45.8078 -62.8066 73.0678 -30.5369 73.0674 -254.213 GPRESSURE: 1454600 117.793 101.654 46.3773 -38.9107 -71.8221 109.617 -66.4702 91.868 -204.433 PRESSAVG: 1454600 37.1045 21.9341 10.9257 21.9341 -54.6844 52.1502 10.9258 52.1503 -6.77856 GPRESSAVG: 1454600 37.0182 23.3394 10.5907 19.175 -54.3196 51.6057 11.512 50.0592 -6.86624 TIMING: 1454600 CPU: 4626.07, 0.00320624/step Wall: 4626.07, 0.00320623/step, 3.15761 hours remaining, 236.871094 MB of memory in use. ENERGY: 1454600 3995.6826 20547.9721 14481.5106 252.0388 -203059.2500 2640.9029 0.0000 0.0000 51924.5316 -109216.6114 298.4110 -161141.1430 -108844.8638 299.1721 -85.9411 -52.8207 761776.3121 -8.1195 -8.0559 PRESSURE: 1454800 164.774 47.2205 -80.4913 47.2211 141.499 -148.869 -80.4914 -148.869 -293.041 GPRESSURE: 1454800 215.323 11.9374 -28.1821 104.883 69.8804 -70.664 -87.3525 -187.806 -196.108 PRESSAVG: 1454800 -36.4128 41.0433 -21.3366 41.0432 -0.116387 35.7032 -21.3367 35.7032 -16.8218 GPRESSAVG: 1454800 -37.2829 39.0804 -19.1354 41.071 -0.985826 34.6251 -23.6689 37.8176 -15.8552 TIMING: 1454800 CPU: 4626.72, 0.00321104/step Wall: 4626.72, 0.00321104/step, 3.16216 hours remaining, 236.871094 MB of memory in use. ENERGY: 1454800 4050.4185 20596.1724 14532.6893 226.3112 -203115.5503 2608.4306 0.0000 0.0000 52167.5805 -108933.9479 299.8078 -161101.5283 -108568.2044 299.4104 4.4108 29.6984 761734.5479 -17.7836 -18.0413 PRESSURE: 1455000 -125.869 -67.584 -64.4503 -67.5846 -92.6711 6.09681 -64.4502 6.09686 -500.202 GPRESSURE: 1455000 -66.4492 -61.7248 26.7591 -41.1012 -124.863 19.6008 -16.7104 -25.6631 -429.446 PRESSAVG: 1455000 -35.5336 -2.13667 6.71994 -2.1367 35.2376 4.54264 6.71996 4.54264 -1.17535 GPRESSAVG: 1455000 -35.9236 -1.151 5.44524 -0.32316 36.6683 5.62411 8.06496 2.75243 -2.24164 TIMING: 1455000 CPU: 4627.36, 0.00320323/step Wall: 4627.36, 0.00320323/step, 3.1543 hours remaining, 236.871094 MB of memory in use. ENERGY: 1455000 4062.0986 20399.1625 14513.2440 257.7425 -203433.4875 2876.1607 0.0000 0.0000 52275.0467 -109050.0325 300.4254 -161325.0792 -108681.9235 300.1840 -239.5808 -206.9195 761763.8822 -0.4904 -0.4990 PRESSURE: 1455200 -51.8502 -14.5092 43.4813 -14.5092 254.031 -26.3474 43.4814 -26.3484 -9.30214 GPRESSURE: 1455200 -16.7252 15.3679 35.655 -17.2731 278.173 -10.8685 109.679 51.1843 16.8085 PRESSAVG: 1455200 12.6096 -60.7284 4.3552 -60.7283 -28.3794 13.5041 4.35524 13.5041 -0.540966 GPRESSAVG: 1455200 13.3225 -61.6248 4.01311 -61.1939 -29.4387 14.4685 5.4158 14.4747 0.171295 TIMING: 1455200 CPU: 4628, 0.00320564/step Wall: 4628, 0.00320564/step, 3.15649 hours remaining, 236.871094 MB of memory in use. ENERGY: 1455200 3999.6834 20512.7232 14559.5489 249.0781 -203374.0331 2774.0869 0.0000 0.0000 52094.6627 -109184.2498 299.3887 -161278.9126 -108824.3245 299.7812 64.2930 92.7520 762413.0773 -5.4369 -5.3150 PRESSURE: 1455400 222.487 107.682 -30.1912 107.682 166.277 -119.058 -30.1909 -119.057 352.792 GPRESSURE: 1455400 278.021 49.1747 -35.93 84.8553 225.446 -199.631 -176.511 3.27453 303.173 PRESSAVG: 1455400 37.9187 -48.2596 67.4805 -48.2597 -39.9622 30.0312 67.4804 30.0312 20.2525 GPRESSAVG: 1455400 37.6616 -49.1542 68.5657 -48.0906 -39.1241 27.3167 64.6589 30.8421 19.6082 TIMING: 1455400 CPU: 4628.64, 0.00321077/step Wall: 4628.64, 0.00321077/step, 3.16136 hours remaining, 236.871094 MB of memory in use. ENERGY: 1455400 4010.2661 20643.5624 14553.4951 246.1616 -203525.6605 2835.6427 0.0000 0.0000 52003.5147 -109233.0179 298.8649 -161236.5327 -108867.9948 299.9355 247.1855 268.8801 761208.0818 6.0696 6.0486 PRESSURE: 1455600 -237.008 -85.9957 59.7584 -85.9964 -277.116 235.585 59.7578 235.586 -338.048 GPRESSURE: 1455600 -128.436 -134.668 11.0621 11.5451 -347.238 215.897 90.9453 110.521 -260.394 PRESSAVG: 1455600 -13.4144 2.22383 19.9915 2.22383 -19.3488 21.1899 19.9915 21.1899 -25.6283 GPRESSAVG: 1455600 -14.7426 1.68487 19.6292 2.7638 -19.7987 23.4414 19.7959 21.2134 -24.0026 TIMING: 1455600 CPU: 4629.28, 0.00321665/step Wall: 4629.28, 0.00321665/step, 3.16697 hours remaining, 236.871094 MB of memory in use. ENERGY: 1455600 4045.8777 20606.6297 14582.1482 245.7083 -203090.2949 2595.3053 0.0000 0.0000 52154.4124 -108860.2133 299.7321 -161014.6257 -108493.5359 299.6841 -284.0575 -245.3562 761973.0999 -19.4638 -19.5146 PRESSURE: 1455800 98.4656 100.93 24.3809 100.93 181.743 -247.415 24.3813 -247.415 -121.852 GPRESSURE: 1455800 198.992 156.454 -42.5261 204.546 230.102 -235.616 117.826 -178.752 -151.596 PRESSAVG: 1455800 15.9989 -0.972512 -15.1578 -0.972385 11.1899 -16.37 -15.1577 -16.37 0.663289 GPRESSAVG: 1455800 15.68 2.05983 -15.6886 -4.26212 11.8648 -17.1609 -14.3197 -20.4986 -0.240047 TIMING: 1455800 CPU: 4629.92, 0.00320706/step Wall: 4629.92, 0.00320706/step, 3.15735 hours remaining, 236.871094 MB of memory in use. ENERGY: 1455800 4028.4687 20459.2017 14448.9261 235.1507 -203523.1023 3006.3507 0.0000 0.0000 52286.1723 -109058.8321 300.4894 -161345.0044 -108691.8000 299.6580 52.7855 92.4994 762187.4447 9.2840 9.1016 PRESSURE: 1456000 -353.619 -99.4127 -76.6224 -99.4133 -144.152 -24.7643 -76.6224 -24.7633 -144.943 GPRESSURE: 1456000 -355.308 -189.963 -83.0273 -188.413 -0.667316 0.267161 4.91438 94.6614 -199.779 PRESSAVG: 1456000 27.196 -13.4507 -19.049 -13.4507 -30.9793 -0.8616 -19.049 -0.861665 1.43195 GPRESSAVG: 1456000 28.7543 -14.7905 -18.3516 -11.9007 -31.187 -0.733186 -19.4602 2.4458 0.383034 TIMING: 1456000 CPU: 4630.56, 0.00318256/step Wall: 4630.56, 0.00318256/step, 3.13306 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1456000 4063.5959 20391.6204 14545.5565 229.3065 -202955.3434 2654.5530 0.0000 0.0000 52044.1737 -109026.5374 299.0986 -161070.7110 -108659.6052 299.5563 -214.2384 -185.2515 764516.2051 -0.7838 -0.6832 PRESSURE: 1456200 -94.7857 -43.257 -126.59 -43.2569 -315.185 38.9995 -126.59 38.9991 -106.71 GPRESSURE: 1456200 0.464781 98.8701 -85.7586 -35.8254 -383.704 -6.47551 -166.846 22.3723 -70.9992 PRESSAVG: 1456200 65.9523 11.3861 -2.23777 11.3861 -77.5624 -20.737 -2.23776 -20.7371 20.1005 GPRESSAVG: 1456200 65.6485 9.82406 -1.94875 13.2954 -77.9333 -20.7157 -1.65995 -20.7821 20.9408 TIMING: 1456200 CPU: 4631.2, 0.00319758/step Wall: 4631.2, 0.00319758/step, 3.14767 hours remaining, 236.871094 MB of memory in use. ENERGY: 1456200 3970.9004 20483.8972 14495.8165 234.7794 -202679.1739 2522.2814 0.0000 0.0000 52234.1971 -108737.3019 300.1906 -160971.4990 -108378.4999 300.1136 -172.2269 -151.4129 766349.5092 2.8301 2.8853 LDB: ============= START OF LOAD BALANCING ============== 4643.66 LDB: ============== END OF LOAD BALANCING =============== 4643.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.66 LDB: ============= START OF LOAD BALANCING ============== 4643.98 LDB: Largest compute 7059 load 0.038971 is 20.0% of average load 0.195047 LDB: Average compute 0.004430 is 2.3% of average load 0.195047 LDB: TIME 4643.98 LOAD: AVG 0.195047 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.695 MB LDB: TIME 4643.98 LOAD: AVG 0.195047 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 4643.98 LOAD: AVG 0.195047 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 4643.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4643.99 PRESSURE: 1456400 152.737 16.6133 71.2274 16.6139 -323.054 -138.923 71.2269 -138.923 -217.432 GPRESSURE: 1456400 197.773 56.6039 48.3966 -32.0571 -325.351 -137.032 -64.0569 -76.6322 -195.094 PRESSAVG: 1456400 72.2488 19.4546 -8.86471 19.4546 -48.8058 -33.698 -8.86476 -33.698 -3.67022 GPRESSAVG: 1456400 71.1683 20.7411 -10.495 19.6767 -47.5199 -31.5641 -8.86156 -35.1726 -3.97588 TIMING: 1456400 CPU: 4631.85, 0.00326985/step Wall: 4631.85, 0.00326985/step, 3.21862 hours remaining, 238.664062 MB of memory in use. ENERGY: 1456400 4019.3224 20429.2481 14502.6827 271.6585 -203130.7330 2407.7949 0.0000 0.0000 52441.3210 -109058.7055 301.3810 -161500.0265 -108693.5522 300.6439 -129.2501 -107.5572 762688.2047 6.5909 6.5575 PRESSURE: 1456600 408.328 112.799 128.434 112.798 -109.033 142.184 128.434 142.185 5.67942 GPRESSURE: 1456600 484.373 85.8832 64.5147 -18.3622 -114.474 129.156 137.734 162.348 32.0256 PRESSAVG: 1456600 46.3044 1.31199 -11.8114 1.31202 -41.9252 -1.38325 -11.8114 -1.38325 -10.6991 GPRESSAVG: 1456600 48.7562 3.55525 -11.3837 -0.279651 -43.6675 -3.47456 -13.6418 -0.020282 -11.6481 TIMING: 1456600 CPU: 4632.49, 0.00320094/step Wall: 4632.49, 0.00320094/step, 3.15061 hours remaining, 238.734375 MB of memory in use. ENERGY: 1456600 3988.4964 20472.9025 14486.4353 240.8412 -203210.4688 2816.9475 0.0000 0.0000 51998.2776 -109206.5683 298.8348 -161204.8459 -108856.0401 299.2263 101.6579 133.9748 762887.9308 -2.1066 -2.1864 PRESSURE: 1456800 153.017 -28.0243 100.539 -28.0241 141.757 22.8756 100.539 22.8753 -225.142 GPRESSURE: 1456800 206.616 -59.2988 208.033 21.405 152.825 31.6479 194.021 59.2234 -212.428 PRESSAVG: 1456800 11.1968 39.2167 -19.795 39.2167 -36.814 -8.57645 -19.795 -8.57643 -11.2785 GPRESSAVG: 1456800 10.734 39.346 -20.4279 36.9041 -37.8455 -8.80203 -15.6298 -11.105 -9.45582 TIMING: 1456800 CPU: 4633.14, 0.00320867/step Wall: 4633.14, 0.00320867/step, 3.15805 hours remaining, 238.734375 MB of memory in use. ENERGY: 1456800 4002.6048 20471.2554 14497.5111 239.6955 -203199.1762 2812.2228 0.0000 0.0000 52181.7882 -108994.0983 299.8895 -161175.8866 -108649.4295 299.2459 23.2108 49.0042 763156.8790 -12.2986 -12.1891 PRESSURE: 1457000 -16.4487 145.921 -211.136 145.922 -190.394 141.493 -211.136 141.493 61.3752 GPRESSURE: 1457000 -10.3484 96.0015 -287.521 130.092 -120.205 24.6869 -287.781 194.541 45.1391 PRESSAVG: 1457000 -33.6626 72.7298 1.15148 72.7298 18.7756 26.4486 1.15153 26.4486 -9.0973 GPRESSAVG: 1457000 -33.754 69.7451 3.31615 75.1455 20.2958 27.4444 -1.11563 28.2568 -10.1563 TIMING: 1457000 CPU: 4633.78, 0.00321696/step Wall: 4633.78, 0.00321696/step, 3.16603 hours remaining, 238.734375 MB of memory in use. ENERGY: 1457000 3937.0439 20632.4802 14554.0496 241.4407 -203176.3223 2350.2099 0.0000 0.0000 52366.3510 -109094.7470 300.9501 -161461.0980 -108725.6181 299.7116 -48.4892 -28.4714 762768.2618 -7.9948 -7.8715 PRESSURE: 1457200 51.7939 45.2422 6.02416 45.2411 72.152 121.321 6.02462 121.322 32.0936 GPRESSURE: 1457200 177.898 174.058 26.634 59.2837 38.2289 79.649 39.3155 -47.6775 11.9214 PRESSAVG: 1457200 46.1699 -9.77463 -15.2715 -9.77463 -39.8745 -64.2424 -15.2715 -64.2424 6.77662 GPRESSAVG: 1457200 47.0526 -9.82906 -16.5567 -10.2161 -40.8031 -62.9689 -16.3158 -66.6597 6.88849 TIMING: 1457200 CPU: 4634.43, 0.00322758/step Wall: 4634.43, 0.00322758/step, 3.1763 hours remaining, 238.734375 MB of memory in use. ENERGY: 1457200 4038.1333 20553.4216 14554.0707 241.0124 -203277.7341 2693.8417 0.0000 0.0000 52180.0419 -109017.2124 299.8794 -161197.2543 -108653.9878 300.0532 52.0132 76.0162 761676.4673 4.3574 4.3793 PRESSURE: 1457400 14.648 -130.535 9.69385 -130.535 4.54733 -204.344 9.69452 -204.344 120.243 GPRESSURE: 1457400 44.3603 -175.02 71.5566 -222.264 84.3915 -155.423 9.32714 -148.225 108.691 PRESSAVG: 1457400 9.45055 -56.342 9.80362 -56.342 -59.7987 14.1046 9.8037 14.1046 7.73469 GPRESSAVG: 1457400 7.9107 -55.1256 9.84926 -56.2158 -58.401 12.8687 10.0194 15.1997 8.8737 TIMING: 1457400 CPU: 4635.07, 0.00321212/step Wall: 4635.07, 0.00321212/step, 3.1609 hours remaining, 238.734375 MB of memory in use. ENERGY: 1457400 4030.7243 20560.0479 14575.2185 264.4573 -203166.6342 2628.3980 0.0000 0.0000 52099.8370 -109007.9512 299.4185 -161107.7882 -108654.1465 300.0906 46.4795 79.1476 760965.8147 -14.2045 -13.8722 PRESSURE: 1457600 125.018 65.1242 32.7409 65.1242 143.716 39.7141 32.7414 39.7141 -54.2401 GPRESSURE: 1457600 198.369 131.019 -36.0255 11.3259 195.967 12.8183 32.043 99.5937 -76.8003 PRESSAVG: 1457600 18.0322 -46.2477 34.7672 -46.2477 -17.3301 30.308 34.7673 30.308 1.79876 GPRESSAVG: 1457600 18.1174 -46.1582 35.3411 -47.1335 -17.2749 29.879 35.2905 30.5686 1.5221 TIMING: 1457600 CPU: 4635.71, 0.00320255/step Wall: 4635.71, 0.00320255/step, 3.15131 hours remaining, 238.734375 MB of memory in use. ENERGY: 1457600 3921.6753 20262.5068 14479.2930 254.3827 -203223.8820 2818.5020 0.0000 0.0000 52260.8827 -109226.6396 300.3440 -161487.5223 -108852.9884 299.8417 71.4982 105.8451 760080.2893 0.8336 0.7882 PRESSURE: 1457800 -114.043 22.3483 -14.5285 22.3475 298.425 146.711 -14.5284 146.711 -353.987 GPRESSURE: 1457800 -74.9431 31.0162 -24.4241 -22.635 361.432 140.278 70.9544 148.002 -363.303 PRESSAVG: 1457800 13.3207 -19.9366 33.7336 -19.9366 29.1245 22.4874 33.7337 22.4874 -1.05027 GPRESSAVG: 1457800 13.8582 -20.1929 33.9746 -20.2426 28.1715 22.183 34.028 22.2512 -1.07911 TIMING: 1457800 CPU: 4636.35, 0.00318942/step Wall: 4636.35, 0.00318942/step, 3.13821 hours remaining, 238.734375 MB of memory in use. ENERGY: 1457800 3974.0458 20424.0873 14572.7878 216.5186 -203005.2334 2424.3276 0.0000 0.0000 52255.7301 -109137.7362 300.3144 -161393.4663 -108783.3230 299.7534 -56.5351 -25.6047 761577.1225 13.7983 13.6502 PRESSURE: 1458000 79.4975 37.0257 214.072 37.0257 -81.8155 -81.8413 214.071 -81.8419 -131.793 GPRESSURE: 1458000 111.802 92.3216 192.129 -35.4684 -30.5095 -97.3404 167.633 -23.9899 -141.631 PRESSAVG: 1458000 -17.7665 -11.8414 15.7797 -11.8414 61.4179 96.8803 15.7797 96.8803 -24.5325 GPRESSAVG: 1458000 -18.2198 -13.8095 14.1852 -9.57171 61.7674 97.2777 16.1423 97.0725 -25.0595 TIMING: 1458000 CPU: 4636.98, 0.00318352/step Wall: 4636.98, 0.00318352/step, 3.13223 hours remaining, 238.734375 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: 1458000 3966.5464 20500.7907 14534.8752 235.5045 -203317.0914 2604.4849 0.0000 0.0000 52270.8985 -109203.9912 300.4016 -161474.8897 -108849.9214 300.0120 -44.7035 -20.1126 761970.0989 6.3730 6.1627 PRESSURE: 1458200 38.2898 86.4321 15.4828 86.4325 81.6887 218.97 15.4825 218.97 -122.976 GPRESSURE: 1458200 162.241 34.7711 -12.6677 130.011 -0.0833252 207.468 128.106 129.469 -82.0854 PRESSAVG: 1458200 -2.03338 24.965 54.3277 24.965 10.3856 21.7942 54.3278 21.7942 -2.83682 GPRESSAVG: 1458200 -1.71284 28.7557 54.8101 22.107 9.89745 23.3712 56.2837 23.0275 -2.28822 TIMING: 1458200 CPU: 4637.62, 0.00319541/step Wall: 4637.62, 0.00319541/step, 3.14375 hours remaining, 238.734375 MB of memory in use. ENERGY: 1458200 4020.9950 20629.1079 14471.3363 250.8428 -203005.7723 2472.2651 0.0000 0.0000 52174.0835 -108987.1417 299.8452 -161161.2252 -108634.2732 300.0213 -0.9992 26.6908 762743.0798 1.8385 1.9655 PRESSURE: 1458400 -129.148 -61.5052 11.5035 -61.5051 -115.539 -1.72386 11.5038 -1.72359 82.8867 GPRESSURE: 1458400 -51.9412 -96.1901 -22.5594 -17.0001 -100.734 19.9819 26.0917 -20.327 84.0422 PRESSAVG: 1458400 -12.5317 24.6642 25.7574 24.6641 -0.390925 -12.0961 25.7574 -12.0962 -12.4067 GPRESSAVG: 1458400 -12.8233 21.8706 26.1207 27.4547 1.00232 -12.1706 26.2789 -13.6805 -14.0912 TIMING: 1458400 CPU: 4638.26, 0.00318212/step Wall: 4638.26, 0.00318212/step, 3.1305 hours remaining, 238.734375 MB of memory in use. ENERGY: 1458400 3995.0943 20496.8123 14526.1311 256.0028 -203002.2683 2361.1501 0.0000 0.0000 52170.6343 -109196.4433 299.8254 -161367.0776 -108836.2621 299.6745 -53.9336 -22.8778 763149.8790 -8.4431 -8.6374 PRESSURE: 1458600 212.267 -39.3013 80.3199 -39.3009 -347.15 -147.237 80.3197 -147.236 56.8482 GPRESSURE: 1458600 228.298 -22.6152 50.2655 -29.8506 -200.871 -143.692 115.244 -188.439 2.22539 PRESSAVG: 1458600 27.6695 -2.59515 9.04353 -2.59514 59.0267 -52.1539 9.04348 -52.154 3.00197 GPRESSAVG: 1458600 29.139 -1.51217 9.56324 -3.36074 58.3773 -54.1599 8.5604 -50.9083 2.42365 TIMING: 1458600 CPU: 4638.9, 0.00319037/step Wall: 4638.9, 0.00319037/step, 3.13844 hours remaining, 238.734375 MB of memory in use. ENERGY: 1458600 4040.9761 20562.6775 14562.6376 248.4587 -203065.1377 2591.6960 0.0000 0.0000 51744.4866 -109314.2052 297.3763 -161058.6918 -108964.3351 299.7338 -26.0115 9.8844 761691.3407 29.8994 29.9800 PRESSURE: 1458800 -240.483 2.84339 -153.011 2.84351 -363.599 44.2291 -153.012 44.2306 -239.495 GPRESSURE: 1458800 -301.651 8.1168 -130.313 -66.6697 -309.322 -21.9985 -165.601 68.7894 -153.96 PRESSAVG: 1458800 0.927962 35.0652 -39.6352 35.0651 -9.96943 -14.087 -39.6353 -14.087 22.4528 GPRESSAVG: 1458800 -0.618066 36.4937 -40.8297 33.6772 -10.02 -12.7568 -37.8998 -15.3379 23.5379 TIMING: 1458800 CPU: 4639.53, 0.00317022/step Wall: 4639.53, 0.00317023/step, 3.11844 hours remaining, 238.734375 MB of memory in use. ENERGY: 1458800 4017.8692 20385.5592 14555.5484 242.9549 -203225.2048 2447.4565 0.0000 0.0000 51889.0287 -109686.7880 298.2070 -161575.8167 -109320.5293 298.4171 -281.1922 -254.9777 763495.0770 4.4705 4.2999 PRESSURE: 1459000 -122.043 136.948 -145.569 136.947 -224.163 122.186 -145.568 122.187 296.851 GPRESSURE: 1459000 1.15717 107.558 -68.3321 -82.6011 -195.617 170.718 -94.1609 154.988 219.699 PRESSAVG: 1459000 26.0518 14.9893 0.413417 14.9893 -5.26948 -32.8942 0.413352 -32.8942 13.7933 GPRESSAVG: 1459000 25.5472 14.3892 -0.727443 15.0019 -5.46046 -32.4455 0.0336116 -34.1454 14.164 TIMING: 1459000 CPU: 4640.16, 0.00317177/step Wall: 4640.16, 0.00317177/step, 3.11979 hours remaining, 238.734375 MB of memory in use. ENERGY: 1459000 3964.4693 20458.0813 14525.5862 241.7237 -203293.3674 2596.2021 0.0000 0.0000 52051.7223 -109455.5826 299.1420 -161507.3048 -109090.6359 298.1951 -16.4515 8.4131 762531.1431 11.5252 11.4169 PRESSURE: 1459200 -150.977 4.71588 -158.801 4.71501 -229.686 0.521376 -158.801 0.521405 -110.95 GPRESSURE: 1459200 -143.697 51.6323 -109.444 93.5512 -168.335 -23.1149 -164.194 12.6775 -116.293 PRESSAVG: 1459200 10.9238 40.5211 20.3861 40.5211 12.7104 -24.8741 20.3861 -24.8741 19.3462 GPRESSAVG: 1459200 9.85732 39.1642 22.391 42.7057 13.9314 -25.8638 17.88 -22.7842 19.4277 TIMING: 1459200 CPU: 4640.8, 0.00318049/step Wall: 4640.8, 0.00318049/step, 3.12819 hours remaining, 238.734375 MB of memory in use. ENERGY: 1459200 3971.7483 20581.5591 14474.3695 255.1574 -203468.2857 2361.6917 0.0000 0.0000 52260.6482 -109563.1114 300.3427 -161823.7597 -109201.7931 298.7995 -163.8710 -142.7749 762295.4294 14.3268 14.4055 PRESSURE: 1459400 -151.017 6.82147 -31.4897 6.82159 -124.474 98.1705 -31.4901 98.1711 251.294 GPRESSURE: 1459400 -198.01 -24.8531 -63.7728 57.0683 -58.8387 68.7448 23.5826 42.8907 302.486 PRESSAVG: 1459400 15.0818 17.9817 10.8165 17.9817 -33.6667 -26.8425 10.8165 -26.8425 7.22071 GPRESSAVG: 1459400 15.6083 19.3162 10.0547 18.8074 -34.3563 -27.9649 11.6613 -28.1508 6.85475 TIMING: 1459400 CPU: 4641.44, 0.00319012/step Wall: 4641.44, 0.00319012/step, 3.13748 hours remaining, 238.734375 MB of memory in use. ENERGY: 1459400 4009.3422 20618.4141 14503.3304 225.5756 -203634.0910 2633.5841 0.0000 0.0000 52038.6450 -109605.1995 299.0668 -161643.8445 -109249.7703 298.7763 -8.0659 15.2123 762488.2098 -3.7881 -3.9644 PRESSURE: 1459600 -103.253 34.5911 -111.82 34.5905 135.393 -55.5775 -111.82 -55.5769 -256.32 GPRESSURE: 1459600 -38.2344 -0.788908 -144.208 -22.9346 182.394 -166.062 -130.004 -62.0995 -257.051 PRESSAVG: 1459600 14.6524 -5.19509 -25.3449 -5.1951 -39.8086 57.7572 -25.3449 57.7571 5.0318 GPRESSAVG: 1459600 15.7402 -5.97208 -24.3039 -5.41635 -40.4957 57.5268 -27.342 59.7672 5.20019 TIMING: 1459600 CPU: 4642.08, 0.0032061/step Wall: 4642.08, 0.0032061/step, 3.15302 hours remaining, 238.734375 MB of memory in use. ENERGY: 1459600 4031.8544 20632.6803 14626.7806 248.6101 -203600.7314 2653.0729 0.0000 0.0000 51929.0284 -109478.7048 298.4368 -161407.7332 -109124.7908 298.9687 -74.7267 -37.6306 762406.8150 -6.7081 -6.5184 PRESSURE: 1459800 -203.804 21.4809 82.7881 21.4815 -161.647 -20.1449 82.7882 -20.1458 -341.394 GPRESSURE: 1459800 -176.717 -69.7197 86.0682 151.348 -99.1773 -26.972 112.285 -96.2973 -342.798 PRESSAVG: 1459800 -6.03511 10.3229 30.9799 10.3229 27.1838 -27.1961 30.9799 -27.1962 -5.96549 GPRESSAVG: 1459800 -6.6907 11.8683 29.7765 8.48519 27.0005 -25.1018 32.5084 -27.903 -5.25502 TIMING: 1459800 CPU: 4642.72, 0.00321305/step Wall: 4642.72, 0.00321305/step, 3.15968 hours remaining, 238.734375 MB of memory in use. ENERGY: 1459800 4004.8064 20449.6364 14595.6697 246.0527 -203489.8931 2446.9824 0.0000 0.0000 52180.2105 -109566.5350 299.8804 -161746.7455 -109200.3448 298.6614 -235.6147 -206.2308 761356.3449 5.0611 5.0183 PRESSURE: 1460000 231.11 16.9268 -36.0284 16.9257 316.986 95.134 -36.028 95.1345 353.787 GPRESSURE: 1460000 290.372 -9.50151 -16.69 -0.945372 301.406 61.0155 -71.8265 61.7691 384.08 PRESSAVG: 1460000 -7.58412 12.4226 23.8649 12.4226 -49.3652 -16.7729 23.865 -16.7729 0.606885 GPRESSAVG: 1460000 -7.50208 11.1712 24.7533 14.3947 -48.2933 -17.5955 25.0187 -15.6042 -0.221841 TIMING: 1460000 CPU: 4643.36, 0.00320812/step Wall: 4643.36, 0.00320812/step, 3.15465 hours remaining, 238.734375 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: 1460000 3933.4033 20692.0890 14512.3026 239.1335 -203571.7391 2872.6583 0.0000 0.0000 51716.9457 -109605.2066 297.2180 -161322.1523 -109243.9778 298.6965 300.6275 325.2859 761406.0287 -18.7808 -18.6724 PRESSURE: 1460200 -208.919 -61.6921 81.3254 -61.6918 -118.053 73.4042 81.3247 73.4044 -341.504 GPRESSURE: 1460200 -162.008 60.6374 34.9546 -36.7984 -59.163 25.3214 143.721 137.778 -353.697 PRESSAVG: 1460200 56.1429 13.6484 51.5614 13.6484 -28.8152 18.4656 51.5613 18.4655 -14.7102 GPRESSAVG: 1460200 55.1893 13.6579 51.3401 12.9247 -28.539 19.1748 51.9389 19.2056 -14.3747 TIMING: 1460200 CPU: 4644, 0.00319785/step Wall: 4644, 0.00319785/step, 3.14437 hours remaining, 238.734375 MB of memory in use. ENERGY: 1460200 4004.7878 20551.3360 14539.3444 248.9313 -203161.3136 2344.7190 0.0000 0.0000 51933.1996 -109538.9955 298.4608 -161472.1951 -109171.5063 298.7226 -222.8255 -191.6226 762562.1779 4.2059 4.0919 LDB: ============= START OF LOAD BALANCING ============== 4656.46 LDB: ============== END OF LOAD BALANCING =============== 4656.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4656.46 LDB: ============= START OF LOAD BALANCING ============== 4656.78 LDB: Largest compute 7060 load 0.036211 is 18.6% of average load 0.194990 LDB: Average compute 0.004407 is 2.3% of average load 0.194990 LDB: TIME 4656.79 LOAD: AVG 0.19499 MAX 0.215124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.93 MB LDB: TIME 4656.79 LOAD: AVG 0.19499 MAX 0.215124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: TIME 4656.79 LOAD: AVG 0.19499 MAX 0.215124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.93 MB LDB: ============== END OF LOAD BALANCING =============== 4656.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4656.79 PRESSURE: 1460400 5.62554 36.475 -55.0357 36.474 93.8853 -122.356 -55.0351 -122.356 -50.5392 GPRESSURE: 1460400 28.0966 17.1785 0.612974 195.07 34.5953 -170.782 -190.386 -189.924 69.833 PRESSAVG: 1460400 7.21336 -7.5867 -26.0074 -7.58671 9.49685 -4.76114 -26.0074 -4.76118 20.1925 GPRESSAVG: 1460400 9.21017 -9.45829 -25.4292 -6.2616 8.71786 -6.07968 -28.1311 -3.57339 19.6321 TIMING: 1460400 CPU: 4644.66, 0.00326638/step Wall: 4644.66, 0.00326638/step, 3.21158 hours remaining, 236.359375 MB of memory in use. ENERGY: 1460400 3987.2107 20666.9891 14549.0134 236.0550 -203264.8735 2394.8264 0.0000 0.0000 51908.3486 -109522.4302 298.3180 -161430.7788 -109164.4194 298.5836 16.3239 44.1749 762136.3528 12.3009 12.5200 PRESSURE: 1460600 36.8102 -94.9649 -193.555 -94.9644 64.0032 70.2363 -193.556 70.2364 -69.9877 GPRESSURE: 1460600 147.921 32.8324 -241.694 -39.3191 17.0488 123.187 -188.852 163.034 -47.6451 PRESSAVG: 1460600 -11.0578 41.4429 -9.75128 41.4429 5.23858 1.08613 -9.75128 1.08619 20.0613 GPRESSAVG: 1460600 -11.1693 44.5809 -10.3281 37.6522 4.87995 1.78721 -8.37704 -0.375026 20.7544 TIMING: 1460600 CPU: 4645.3, 0.00321687/step Wall: 4645.3, 0.00321687/step, 3.16272 hours remaining, 236.359375 MB of memory in use. ENERGY: 1460600 3977.3113 20566.4116 14567.1492 251.7736 -203736.2138 2782.2286 0.0000 0.0000 52219.2640 -109372.0754 300.1048 -161591.3394 -109001.3509 299.3654 10.2753 39.1081 760650.5523 4.7473 4.8217 PRESSURE: 1460800 32.3627 -129.822 -167.361 -129.822 59.5541 -57.7888 -167.36 -57.7882 116.839 GPRESSURE: 1460800 23.4009 -135.968 -126.59 -74.8875 147.659 -43.3245 -295.297 -74.7686 112.37 PRESSAVG: 1460800 -20.5166 -46.6805 -32.7599 -46.6805 17.8566 -1.98871 -32.7598 -1.9887 -7.44569 GPRESSAVG: 1460800 -20.7569 -47.8949 -31.9162 -44.2897 18.1856 -0.716531 -34.1803 -4.95496 -7.77465 TIMING: 1460800 CPU: 4645.94, 0.00319584/step Wall: 4645.94, 0.00319584/step, 3.14187 hours remaining, 236.359375 MB of memory in use. ENERGY: 1460800 4046.1867 20535.9958 14463.1055 272.5216 -203432.8514 2593.9624 0.0000 0.0000 52304.8042 -109216.2752 300.5964 -161521.0794 -108854.6163 299.7628 69.5853 94.4765 760288.0153 -3.3686 -3.4487 PRESSURE: 1461000 -36.0918 11.3589 -149.231 11.3587 -143.436 -142.389 -149.231 -142.39 229.17 GPRESSURE: 1461000 104.453 -15.5199 -43.709 -53.2773 -180.716 -156.859 -81.2678 -98.5797 227.693 PRESSAVG: 1461000 2.89297 17.9973 -25.5801 17.9973 12.342 -42.3268 -25.5801 -42.3268 24.3771 GPRESSAVG: 1461000 1.64561 19.7841 -27.1737 18.5533 13.0853 -44.5896 -24.5578 -41.2074 24.4553 TIMING: 1461000 CPU: 4646.58, 0.00320083/step Wall: 4646.58, 0.00320083/step, 3.14659 hours remaining, 236.359375 MB of memory in use. ENERGY: 1461000 3923.5073 20618.7784 14483.2548 225.5883 -203048.4591 2582.9536 0.0000 0.0000 52252.9724 -108961.4043 300.2986 -161214.3767 -108595.4658 299.9171 16.5473 50.4767 760818.4458 13.2040 13.0620 PRESSURE: 1461200 135.506 22.6995 51.8435 22.6987 -141.838 -189.613 51.8442 -189.613 -230.73 GPRESSURE: 1461200 86.7207 25.6969 13.9377 -73.3256 7.81783 -151.21 107.404 -126.938 -249.347 PRESSAVG: 1461200 -38.8752 -59.642 2.98849 -59.642 9.55247 33.6462 2.9885 33.6464 -13.9029 GPRESSAVG: 1461200 -39.3533 -62.5786 3.86422 -59.7585 9.13553 33.5269 5.55109 33.9467 -13.1683 TIMING: 1461200 CPU: 4647.22, 0.00321041/step Wall: 4647.22, 0.00321041/step, 3.15583 hours remaining, 236.359375 MB of memory in use. ENERGY: 1461200 4067.1723 20679.0997 14449.2924 241.4500 -203445.4675 2743.9237 0.0000 0.0000 52265.2880 -108999.2414 300.3693 -161264.5294 -108645.1944 300.6959 -79.0206 -51.6028 761833.1047 -14.4085 -14.4620 PRESSURE: 1461400 -287.852 139.598 -141.893 139.597 -266.3 -50.7198 -141.894 -50.7207 -335.522 GPRESSURE: 1461400 -229.47 299.197 -90.7426 92.949 -255.817 -141.438 -294.766 97.0773 -330.921 PRESSAVG: 1461400 19.4613 -36.2012 4.04646 -36.2012 5.55266 1.61129 4.04645 1.61131 -11.0989 GPRESSAVG: 1461400 18.5285 -33.3171 2.91652 -37.4521 5.74831 1.93494 3.93523 4.77693 -10.3068 TIMING: 1461400 CPU: 4647.87, 0.00324048/step Wall: 4647.87, 0.00324048/step, 3.18521 hours remaining, 236.359375 MB of memory in use. ENERGY: 1461400 4093.3706 20772.5812 14476.2674 263.5925 -203018.0431 2365.6729 0.0000 0.0000 51893.0549 -109153.5036 298.2301 -161046.5585 -108797.8621 299.9747 -296.5581 -272.0693 761623.6866 4.6384 4.6567 PRESSURE: 1461600 312.438 -107.459 94.5494 -107.458 188.165 -118.724 94.5492 -118.723 273.946 GPRESSURE: 1461600 243.779 -93.2741 150.73 -27.8794 216.148 -85.911 23.9029 -131.92 394.146 PRESSAVG: 1461600 -16.4218 -44.003 -0.601842 -44.003 -16.904 -7.79237 -0.601842 -7.79229 -16.5121 GPRESSAVG: 1461600 -14.8038 -43.9597 0.862977 -43.7861 -18.3274 -6.95661 -3.06684 -9.56499 -16.8097 TIMING: 1461600 CPU: 4648.51, 0.00322475/step Wall: 4648.51, 0.00322475/step, 3.16957 hours remaining, 236.359375 MB of memory in use. ENERGY: 1461600 3925.6724 20567.2443 14625.9500 251.5912 -203106.4854 2663.0305 0.0000 0.0000 52028.9382 -109044.0589 299.0110 -161072.9971 -108680.7354 300.0108 258.1828 284.6913 761456.9411 -16.6127 -16.6470 PRESSURE: 1461800 314.11 -138.946 70.7769 -138.947 308.278 136.777 70.7774 136.776 108.798 GPRESSURE: 1461800 317.585 32.9776 141.383 -98.4294 412.81 202.759 149.573 29.1065 76.7281 PRESSAVG: 1461800 -19.6865 -15.7161 -4.04959 -15.7161 28.0253 -29.7882 -4.04961 -29.7883 4.0475 GPRESSAVG: 1461800 -19.4635 -14.9492 -3.81099 -15.1614 28.731 -28.1993 -4.42463 -33.9687 3.94383 TIMING: 1461800 CPU: 4649.16, 0.0032443/step Wall: 4649.16, 0.0032443/step, 3.18861 hours remaining, 236.359375 MB of memory in use. ENERGY: 1461800 4045.9266 20443.8126 14615.5907 244.6476 -203567.1793 2810.6776 0.0000 0.0000 52166.5211 -109240.0030 299.8017 -161406.5241 -108874.7053 299.9231 243.7287 269.0412 759845.5215 4.1288 4.4038 PRESSURE: 1462000 -164.12 80.6727 -39.0782 80.6733 41.9544 185.065 -39.0786 185.065 -159.591 GPRESSURE: 1462000 -155.566 48.0846 13.5541 -41.3149 42.6339 195.919 -78.358 255.35 -85.2319 PRESSAVG: 1462000 56.4673 14.1652 -47.1244 14.1652 -27.9313 -9.67556 -47.1245 -9.67563 9.3548 GPRESSAVG: 1462000 56.111 12.9443 -46.4218 13.8833 -27.7565 -11.0001 -46.737 -6.97433 9.64432 TIMING: 1462000 CPU: 4649.81, 0.00321993/step Wall: 4649.81, 0.00321993/step, 3.16448 hours remaining, 236.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1462000 3950.2268 20687.6328 14529.4428 244.2952 -203122.7299 2330.2954 0.0000 0.0000 52302.1613 -109078.6757 300.5812 -161380.8370 -108728.7431 299.8110 -93.9187 -66.0548 760685.7952 12.6303 12.6663 PRESSURE: 1462200 7.95373 -94.2548 37.5816 -94.256 -551.38 168.118 37.5814 168.119 -308.872 GPRESSURE: 1462200 44.0084 -100.686 19.0288 -123.337 -501.976 33.0529 -83.9766 246.338 -328.012 PRESSAVG: 1462200 23.7527 0.373604 23.9685 0.373604 -28.8519 -7.53276 23.9684 -7.53277 -14.1552 GPRESSAVG: 1462200 23.8986 -0.800875 22.5417 3.08993 -29.4601 -8.44839 22.8935 -6.52346 -13.7165 TIMING: 1462200 CPU: 4650.45, 0.00322704/step Wall: 4650.45, 0.00322704/step, 3.17128 hours remaining, 236.359375 MB of memory in use. ENERGY: 1462200 4030.0918 20700.8881 14523.3961 257.2567 -203092.6044 2299.9524 0.0000 0.0000 52068.2759 -109212.7434 299.2371 -161281.0193 -108855.0351 299.5418 -284.0994 -261.9929 762800.5998 -6.4181 -6.4260 PRESSURE: 1462400 105.099 -48.1221 113.937 -48.1231 0.563272 -221.133 113.937 -221.132 345.38 GPRESSURE: 1462400 170.892 -97.2704 12.5863 -8.20737 -15.0715 -150.65 83.4844 -191.757 358.823 PRESSAVG: 1462400 41.1849 -28.3813 28.4847 -28.3812 -63.3844 33.3677 28.4847 33.3677 12.2606 GPRESSAVG: 1462400 40.2148 -28.8705 27.7096 -28.6336 -63.4693 33.8126 30.0753 33.2529 12.8922 TIMING: 1462400 CPU: 4651.1, 0.00323553/step Wall: 4651.1, 0.00323553/step, 3.17945 hours remaining, 236.359375 MB of memory in use. ENERGY: 1462400 3992.2759 20608.3519 14498.8987 256.6318 -203578.3040 2934.3576 0.0000 0.0000 51901.1933 -109386.5949 298.2769 -161287.7881 -109027.3096 299.4994 150.3474 171.5476 762395.8409 -3.3130 -3.4541 PRESSURE: 1462600 -231.781 -320.986 -5.8389 -320.985 117.222 126.85 -5.83937 126.85 87.2231 GPRESSURE: 1462600 -173.682 -315.428 25.0708 -365.845 126.197 219.047 22.7295 43.7507 116.946 PRESSAVG: 1462600 2.38281 13.4005 49.5977 13.4005 33.5895 37.9111 49.5977 37.911 -1.5772 GPRESSAVG: 1462600 3.81068 13.982 50.3139 11.3668 34.2878 39.476 48.9213 36.9954 -3.51704 TIMING: 1462600 CPU: 4651.74, 0.00321607/step Wall: 4651.74, 0.00321607/step, 3.16014 hours remaining, 236.359375 MB of memory in use. ENERGY: 1462600 4099.4017 20595.2951 14566.7459 248.1372 -203453.3968 2491.8558 0.0000 0.0000 52074.8031 -109377.1579 299.2746 -161451.9610 -109017.5893 299.2289 -9.1120 23.1537 762045.5394 11.4650 11.5272 PRESSURE: 1462800 -204.154 76.5536 224.245 76.553 162.89 -88.6525 224.245 -88.6524 -134.808 GPRESSURE: 1462800 -63.9761 9.23069 218.432 155.739 38.1725 -77.8551 364.33 119.973 -84.896 PRESSAVG: 1462800 -5.24715 -36.5151 87.3483 -36.5151 31.3363 -30.5086 87.3483 -30.5086 1.91956 GPRESSAVG: 1462800 -6.53272 -36.1237 86.5193 -34.2386 30.9981 -32.911 88.6497 -28.6469 3.70572 TIMING: 1462800 CPU: 4652.38, 0.00318991/step Wall: 4652.38, 0.00318991/step, 3.13426 hours remaining, 236.359375 MB of memory in use. ENERGY: 1462800 4003.4424 20434.5563 14573.0153 252.8802 -203432.4884 2509.8153 0.0000 0.0000 52158.5340 -109500.2448 299.7558 -161658.7788 -109134.3392 299.3332 -58.6906 -36.8999 761032.4043 9.3362 9.3904 PRESSURE: 1463000 293.947 53.8059 192.605 53.8058 151.578 22.2027 192.605 22.2034 337.494 GPRESSURE: 1463000 306.814 55.5287 156.101 129.416 182.851 12.0811 54.2497 -3.76609 366.636 PRESSAVG: 1463000 -17.0561 18.8346 63.3492 18.8346 -25.5202 26.8638 63.3493 26.8638 5.41612 GPRESSAVG: 1463000 -18.1354 19.6074 63.6291 18.3484 -24.7416 27.7613 62.7488 25.4751 5.72137 TIMING: 1463000 CPU: 4653.02, 0.00321352/step Wall: 4653.02, 0.00321352/step, 3.15728 hours remaining, 236.359375 MB of memory in use. ENERGY: 1463000 3965.8561 20462.7793 14473.0179 243.6395 -203237.0417 2588.7030 0.0000 0.0000 51933.0039 -109570.0420 298.4597 -161503.0460 -109217.8177 299.1855 261.0064 285.4336 761824.1278 -12.3867 -12.3852 PRESSURE: 1463200 313.177 -48.474 83.5459 -48.474 -197.057 21.5133 83.5461 21.5131 -60.0256 GPRESSURE: 1463200 235.388 22.0831 112.46 -69.4911 -57.1866 54.1811 -63.6135 30.5975 -42.9323 PRESSAVG: 1463200 7.61736 -45.8054 20.5813 -45.8054 -72.4925 -24.834 20.5813 -24.8341 8.21861 GPRESSAVG: 1463200 9.28515 -44.8028 21.585 -43.9392 -72.3627 -23.2254 20.9967 -26.1472 6.24932 TIMING: 1463200 CPU: 4653.67, 0.00321102/step Wall: 4653.67, 0.00321102/step, 3.15464 hours remaining, 236.359375 MB of memory in use. ENERGY: 1463200 3936.6301 20647.9558 14561.2824 249.2027 -203498.9359 2770.8378 0.0000 0.0000 51889.4550 -109443.5722 298.2094 -161333.0272 -109079.6613 299.0631 18.6984 45.0899 762332.8332 -18.8855 -18.9427 PRESSURE: 1463400 11.9501 51.9745 -15.6707 51.975 241.872 97.2122 -15.6708 97.2112 -327.753 GPRESSURE: 1463400 187.367 -54.4108 -24.5771 146.376 180.012 76.1548 -212.422 70.3626 -344.098 PRESSAVG: 1463400 -26.0258 -32.2625 14.7766 -32.2625 4.79319 27.5036 14.7767 27.5036 -5.11211 GPRESSAVG: 1463400 -27.0723 -32.8346 15.2285 -34.9039 3.8235 27.2934 12.7416 27.9821 -3.18204 TIMING: 1463400 CPU: 4654.3, 0.00319161/step Wall: 4654.3, 0.00319161/step, 3.13541 hours remaining, 236.359375 MB of memory in use. ENERGY: 1463400 3958.5956 20373.8431 14572.2711 266.7346 -203605.3072 2842.3126 0.0000 0.0000 52252.9183 -109338.6318 300.2982 -161591.5501 -108979.1661 299.5626 -24.6437 7.7601 761283.6988 -8.7816 -8.8103 PRESSURE: 1463600 -176.851 -113.565 -65.3856 -113.564 206.855 -135.719 -65.3854 -135.719 194.078 GPRESSURE: 1463600 -118.41 -178.018 -130.359 -114.895 223.743 -90.7626 -58.35 -148.593 206.963 PRESSAVG: 1463600 -2.99934 -53.6467 85.9982 -53.6468 15.4659 13.3488 85.9981 13.3488 -10.1617 GPRESSAVG: 1463600 -3.08254 -54.0782 83.9857 -55.6848 16.0829 12.7428 88.8914 14.3498 -11.2316 TIMING: 1463600 CPU: 4654.94, 0.00316867/step Wall: 4654.94, 0.00316867/step, 3.11269 hours remaining, 236.359375 MB of memory in use. ENERGY: 1463600 4006.4709 20537.9776 14474.1694 253.1668 -203754.1478 3018.6349 0.0000 0.0000 52295.4562 -109168.2721 300.5427 -161463.7283 -108819.6395 299.4331 74.6940 104.0989 761189.9851 0.7683 0.5896 PRESSURE: 1463800 -506.848 238.395 -68.904 238.394 115.488 111.604 -68.9037 111.606 -246.501 GPRESSURE: 1463800 -403.15 205.908 4.6859 142.137 169.202 60.145 -87.7057 144.397 -300.554 PRESSAVG: 1463800 -14.5178 35.7236 -5.29115 35.7236 41.8893 -6.25081 -5.29115 -6.25076 12.7733 GPRESSAVG: 1463800 -14.5166 38.0507 -4.04599 36.0939 43.4913 -5.8353 -7.03829 -6.16312 11.5484 TIMING: 1463800 CPU: 4655.58, 0.00322621/step Wall: 4655.58, 0.00322621/step, 3.16904 hours remaining, 236.359375 MB of memory in use. ENERGY: 1463800 4046.2144 20556.5012 14507.1589 240.3393 -203468.7402 2565.9891 0.0000 0.0000 52239.0667 -109313.4706 300.2186 -161552.5373 -108956.5176 300.0208 -212.6202 -178.1673 762622.7231 13.3816 13.5077 PRESSURE: 1464000 -158.865 -95.7377 -87.3937 -95.7388 70.6662 -48.6324 -87.3935 -48.6316 -120.961 GPRESSURE: 1464000 -90.6741 -109.492 -57.6758 1.084 -60.5152 -84.8452 -20.5564 -201.807 33.5571 PRESSAVG: 1464000 -28.7171 18.4665 14.6764 18.4665 38.8919 69.3434 14.6764 69.3435 -13.5007 GPRESSAVG: 1464000 -27.5243 15.3463 15.2668 21.0022 36.2911 67.9353 15.7142 68.1047 -12.1652 TIMING: 1464000 CPU: 4656.23, 0.00323137/step Wall: 4656.23, 0.00323137/step, 3.17392 hours remaining, 236.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1464000 3924.6432 20387.8768 14516.4548 258.7750 -203066.3485 2454.4374 0.0000 0.0000 52129.6089 -109394.5523 299.5896 -161524.1612 -109028.6461 299.5485 -69.7202 -39.2107 762318.5541 -1.1086 -1.1328 PRESSURE: 1464200 -153.408 -115.071 10.003 -115.071 -116.239 204.996 10.0029 204.996 16.1406 GPRESSURE: 1464200 -23.4763 -228.176 -65.7531 -90.6256 -117.233 215.674 43.0357 145.352 -30.1235 PRESSAVG: 1464200 13.8832 -28.312 -51.7419 -28.312 -5.04734 66.7606 -51.7419 66.7606 -0.290736 GPRESSAVG: 1464200 15.0228 -27.4316 -51.8078 -29.0453 -6.46941 68.4482 -52.6607 66.5935 0.459854 TIMING: 1464200 CPU: 4656.87, 0.00321022/step Wall: 4656.87, 0.00321022/step, 3.15297 hours remaining, 236.359375 MB of memory in use. ENERGY: 1464200 3967.6592 20595.0501 14514.4263 274.0007 -202875.3162 2281.8129 0.0000 0.0000 51736.1852 -109506.1818 297.3286 -161242.3670 -109158.5500 299.2037 -84.5022 -56.9444 763590.0533 2.8484 3.0044 LDB: ============= START OF LOAD BALANCING ============== 4669.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4669.33 LDB: =============== DONE WITH MIGRATION ================ 4669.33 LDB: ============= START OF LOAD BALANCING ============== 4669.65 LDB: Largest compute 7032 load 0.037085 is 19.0% of average load 0.195047 LDB: Average compute 0.004432 is 2.3% of average load 0.195047 LDB: TIME 4669.66 LOAD: AVG 0.195047 MAX 0.215504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.895 MB LDB: TIME 4669.66 LOAD: AVG 0.195047 MAX 0.215504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: TIME 4669.66 LOAD: AVG 0.195047 MAX 0.215504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.102 MB LDB: ============== END OF LOAD BALANCING =============== 4669.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4669.66 PRESSURE: 1464400 314.55 -125.004 -0.248455 -125.003 83.5978 -16.1032 -0.248494 -16.104 501.939 GPRESSURE: 1464400 389.191 -29.4554 10.0377 -130.529 154.542 -61.2071 97.1954 49.9375 430.83 PRESSAVG: 1464400 7.05298 -54.8644 -0.1463 -54.8644 9.6198 33.551 -0.146291 33.5511 20.714 GPRESSAVG: 1464400 6.27053 -56.0394 -0.501224 -54.054 12.1813 33.0591 2.52003 34.6158 19.0304 TIMING: 1464400 CPU: 4657.53, 0.00328402/step Wall: 4657.53, 0.00328402/step, 3.22528 hours remaining, 236.871094 MB of memory in use. ENERGY: 1464400 4004.5187 20426.9554 14474.8907 262.8831 -203554.0141 2824.7431 0.0000 0.0000 52100.1048 -109459.9183 299.4200 -161560.0231 -109096.2568 299.0149 300.0288 324.8547 761091.3298 12.4622 12.4941 PRESSURE: 1464600 341.276 -53.8759 64.4313 -53.8767 128.459 -14.8639 64.4304 -14.8628 94.8584 GPRESSURE: 1464600 338.331 20.462 177.074 -107.508 192.801 18.2071 -26.6518 -144.791 119.52 PRESSAVG: 1464600 6.26458 -22.9496 -4.0254 -22.9496 -10.9788 38.3736 -4.02544 38.3736 19.2051 GPRESSAVG: 1464600 5.85468 -19.7525 -2.17446 -24.6063 -11.1387 38.9705 -6.89779 37.9181 19.4277 TIMING: 1464600 CPU: 4658.17, 0.00319577/step Wall: 4658.17, 0.00319577/step, 3.13843 hours remaining, 236.871094 MB of memory in use. ENERGY: 1464600 3884.1085 20441.9313 14576.1117 279.9509 -203668.9423 3030.3328 0.0000 0.0000 51869.5909 -109586.9162 298.0953 -161456.5071 -109231.0334 298.9804 188.1977 216.8840 760660.5464 4.8303 4.7145 PRESSURE: 1464800 -127.011 -103.299 -187.97 -103.299 -222.449 310.779 -187.97 310.778 -407.046 GPRESSURE: 1464800 -99.211 -74.2168 -293.784 -117.775 -195.84 351.117 -48.4511 267.832 -392.757 PRESSAVG: 1464800 23.4238 -34.8873 0.810024 -34.8872 -1.18352 -18.3041 0.810035 -18.3042 -10.5419 GPRESSAVG: 1464800 24.0886 -35.726 -0.659842 -34.6548 -1.9877 -18.133 1.07088 -17.7344 -10.6397 TIMING: 1464800 CPU: 4658.81, 0.0032229/step Wall: 4658.81, 0.0032229/step, 3.16489 hours remaining, 236.871094 MB of memory in use. ENERGY: 1464800 3995.7315 20419.0266 14581.8661 236.9055 -203380.8215 2680.4700 0.0000 0.0000 51781.8748 -109684.9469 297.5911 -161466.8217 -109326.5524 298.4033 -252.1689 -229.2693 764020.6702 3.8995 3.8204 PRESSURE: 1465000 60.216 -37.0338 269.574 -37.0338 -186.877 289.433 269.574 289.434 27.9023 GPRESSURE: 1465000 22.3135 2.56772 250.254 43.3315 -131.073 221.303 222.272 370.744 81.0957 PRESSAVG: 1465000 -3.87347 -21.9182 -39.0747 -21.9182 -26.4195 -9.99316 -39.0748 -9.99309 -6.75984 GPRESSAVG: 1465000 -4.90718 -21.6221 -40.3145 -22.2879 -26.7377 -11.3944 -37.2204 -11.2696 -5.02685 TIMING: 1465000 CPU: 4659.45, 0.00319769/step Wall: 4659.45, 0.00319769/step, 3.13996 hours remaining, 236.871094 MB of memory in use. ENERGY: 1465000 4034.0287 20435.8529 14496.6474 243.7875 -203733.2138 2868.8388 0.0000 0.0000 52073.7408 -109580.3178 299.2685 -161654.0586 -109220.0194 298.7771 -32.9194 -9.2211 763288.7545 -12.3509 -12.2239 PRESSURE: 1465200 282.789 -32.9309 248.364 -32.9324 64.1849 -166.721 248.364 -166.722 311.862 GPRESSURE: 1465200 325.951 26.4685 194.372 -50.6405 110.201 -114.271 263.511 -183.918 306.432 PRESSAVG: 1465200 49.0332 -33.381 -75.3961 -33.381 -20.6932 -3.23666 -75.3961 -3.23667 14.2291 GPRESSAVG: 1465200 49.1582 -32.9508 -73.926 -32.6112 -19.5566 -2.23017 -78.1505 -0.467112 13.0477 TIMING: 1465200 CPU: 4660.09, 0.00317428/step Wall: 4660.09, 0.00317428/step, 3.11679 hours remaining, 236.871094 MB of memory in use. ENERGY: 1465200 3918.6566 20570.8342 14533.9484 254.4088 -204017.5362 2875.7279 0.0000 0.0000 52013.9628 -109849.9975 298.9250 -161863.9602 -109482.9642 298.1521 219.6118 247.5280 760980.9960 14.1897 14.2165 PRESSURE: 1465400 -215.26 -121.458 94.4539 -121.458 2.57232 162.295 94.4543 162.295 47.6962 GPRESSURE: 1465400 -121.059 -101.941 0.00660983 -113.414 8.53091 139.987 117.59 24.3955 5.13819 PRESSAVG: 1465400 -7.29274 -51.6762 -29.614 -51.6761 46.4955 -24.4978 -29.614 -24.4978 0.672508 GPRESSAVG: 1465400 -7.04399 -52.0925 -29.8299 -50.6497 45.9513 -25.3794 -28.8702 -27.4238 0.598434 TIMING: 1465400 CPU: 4660.73, 0.00319194/step Wall: 4660.73, 0.00319194/step, 3.13395 hours remaining, 236.871094 MB of memory in use. ENERGY: 1465400 3945.9058 20480.6276 14534.4524 261.7612 -203636.8099 2552.9689 0.0000 0.0000 51904.5547 -109956.5394 298.2962 -161861.0941 -109597.3743 297.7785 -54.9973 -35.7966 762093.5737 13.2918 13.1686 PRESSURE: 1465600 -134.337 -32.0452 44.4427 -32.0459 -294.484 -214.182 44.443 -214.182 -664.115 GPRESSURE: 1465600 -61.9436 -21.2847 101.786 -12.8128 -277.382 -209.661 -92.1047 -271.782 -670.575 PRESSAVG: 1465600 -6.70305 -24.5606 -22.1842 -24.5606 28.6403 -4.97825 -22.1842 -4.97821 3.3515 GPRESSAVG: 1465600 -7.50704 -25.3624 -24.0861 -25.2973 28.9683 -6.41319 -21.1471 -3.99176 3.40098 TIMING: 1465600 CPU: 4661.36, 0.0031921/step Wall: 4661.36, 0.0031921/step, 3.13393 hours remaining, 236.871094 MB of memory in use. ENERGY: 1465600 4008.0241 20373.3003 14470.7789 248.2091 -203641.2692 2601.8937 0.0000 0.0000 51771.7731 -110167.2900 297.5331 -161939.0631 -109812.0216 297.6631 -364.3122 -336.6335 763327.3589 8.4296 8.2874 PRESSURE: 1465800 239.898 -160.085 25.9836 -160.085 315.313 -64.8354 25.9839 -64.8356 -124.427 GPRESSURE: 1465800 317.966 -158.525 -22.246 -212.002 252.969 -81.8373 1.75327 -75.7777 -47.1102 PRESSAVG: 1465800 29.7535 20.1366 20.3324 20.1367 -43.6202 -7.45003 20.3324 -7.45005 12.7968 GPRESSAVG: 1465800 30.798 22.1302 22.9677 19.7548 -44.8452 -7.6564 20.1122 -7.58119 13.8751 TIMING: 1465800 CPU: 4662, 0.00320009/step Wall: 4662, 0.00320009/step, 3.1416 hours remaining, 236.871094 MB of memory in use. ENERGY: 1465800 3918.7930 20307.4542 14454.0510 260.0181 -203655.5480 2755.0316 0.0000 0.0000 51997.6485 -109962.5516 298.8312 -161960.2001 -109607.0801 297.3847 143.5944 174.6081 760686.9308 -0.3567 -0.0574 PRESSURE: 1466000 -163.685 -25.6905 187.471 -25.6908 -188.319 2.5658 187.472 2.56563 -314.96 GPRESSURE: 1466000 -99.7394 -35.3837 194.791 106.287 -259.138 18.5258 198.003 -28.5403 -196.584 PRESSAVG: 1466000 4.94531 5.35241 47.5356 5.35243 8.30007 24.2475 47.5356 24.2475 -22.4663 GPRESSAVG: 1466000 3.99566 2.2061 46.1439 5.83352 9.37274 26.4662 50.0196 22.5748 -22.5161 TIMING: 1466000 CPU: 4662.65, 0.00321507/step Wall: 4662.65, 0.00321507/step, 3.15613 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 4046.1116 20492.2029 14492.4017 227.7227 -203608.2558 2414.7492 0.0000 0.0000 51929.2940 -110005.7737 298.4384 -161935.0677 -109635.1501 297.9964 -222.3212 -185.1538 760190.7755 -3.0736 -3.0493 PRESSURE: 1466200 -528.174 -271.978 -239.153 -271.978 -515.561 -59.7024 -239.154 -59.7029 -84.5942 GPRESSURE: 1466200 -424.019 -284.232 -253.446 -142.056 -493.113 54.2602 -141.051 27.3914 -96.2402 PRESSAVG: 1466200 24.0395 27.0833 -5.17182 27.0834 -9.17244 -28.9873 -5.1718 -28.9874 33.0107 GPRESSAVG: 1466200 24.6327 28.7523 -3.19177 26.9141 -8.86621 -31.0815 -8.33399 -25.8513 32.0395 TIMING: 1466200 CPU: 4663.28, 0.0031883/step Wall: 4663.28, 0.0031883/step, 3.12967 hours remaining, 236.871094 MB of memory in use. ENERGY: 1466200 4016.2219 20407.0466 14380.4086 244.5097 -203566.0028 2448.6555 0.0000 0.0000 52027.1177 -110042.0428 299.0006 -162069.1605 -109691.3263 297.5660 -376.1098 -337.7906 760498.1049 15.9593 15.9353 PRESSURE: 1466400 158.213 233.973 -114.851 233.974 -75.649 -137.648 -114.851 -137.648 13.4341 GPRESSURE: 1466400 126.898 134.52 -136.537 74.3358 19.1034 -96.8283 -100.754 -229.693 39.7688 PRESSAVG: 1466400 67.6149 -27.7527 -8.95224 -27.7528 -19.5773 -22.1626 -8.95225 -22.1625 2.23951 GPRESSAVG: 1466400 67.0272 -28.061 -10.5655 -29.4122 -19.4147 -21.426 -7.40308 -22.9338 2.53047 TIMING: 1466400 CPU: 4663.92, 0.00316364/step Wall: 4663.92, 0.00316364/step, 3.10529 hours remaining, 236.871094 MB of memory in use. ENERGY: 1466400 3958.4255 20364.6117 14474.8260 250.0443 -203888.1823 2716.1860 0.0000 0.0000 52153.2304 -109970.8585 299.7253 -162124.0888 -109610.1385 298.1167 31.9994 61.9233 759283.5052 16.7591 16.7143 PRESSURE: 1466600 -473.485 -134.795 56.8106 -134.795 58.02 -44.1051 56.8105 -44.1036 -67.4498 GPRESSURE: 1466600 -313.078 -104.501 60.0564 -115.201 -59.9811 -105.026 -23.9484 -19.9671 -14.8434 PRESSAVG: 1466600 -9.80269 -68.7532 -47.5016 -68.7532 16.374 88.205 -47.5016 88.205 -16.3102 GPRESSAVG: 1466600 -9.2788 -69.4025 -46.5212 -65.6455 15.4145 86.8305 -50.6386 87.5544 -16.6836 TIMING: 1466600 CPU: 4664.55, 0.00318884/step Wall: 4664.55, 0.00318884/step, 3.12984 hours remaining, 236.871094 MB of memory in use. ENERGY: 1466600 4022.1662 20531.4964 14528.2916 248.0443 -203912.1156 2620.4930 0.0000 0.0000 51919.9804 -110041.6438 298.3848 -161961.6242 -109682.6580 297.8182 -160.9716 -129.3010 761438.2028 -3.2463 -3.5160 PRESSURE: 1466800 123.503 84.4373 -178.774 84.4362 -34.0495 -44.9004 -178.775 -44.8999 74.5932 GPRESSURE: 1466800 71.3847 18.1262 -170.903 17.6791 104.169 -120.571 -203.656 103.036 66.1202 PRESSAVG: 1466800 1.54989 -12.2367 -36.0603 -12.2367 24.4253 -27.0947 -36.0603 -27.0947 17.3226 GPRESSAVG: 1466800 1.1589 -12.3396 -37.131 -15.2024 24.2645 -25.7237 -33.0289 -24.785 18.1602 TIMING: 1466800 CPU: 4665.19, 0.00318542/step Wall: 4665.19, 0.00318542/step, 3.12631 hours remaining, 236.871094 MB of memory in use. ENERGY: 1466800 3994.3004 20413.1767 14521.5034 246.0644 -203976.0386 2774.7598 0.0000 0.0000 51981.1282 -110045.1059 298.7363 -162026.2341 -109682.4508 298.0683 54.6822 80.5578 759620.9580 14.4326 14.5279 PRESSURE: 1467000 -0.772963 -57.8214 -167.602 -57.8223 -192.571 115.125 -167.603 115.125 413.317 GPRESSURE: 1467000 15.9536 176.701 -198.703 14.6476 -204.004 61.0339 -337.391 84.4858 497.341 PRESSAVG: 1467000 60.3823 -36.9874 -38.3757 -36.9873 -41.551 -12.3608 -38.3757 -12.3608 14.8329 GPRESSAVG: 1467000 59.2228 -35.8013 -37.3951 -37.4672 -41.3456 -12.3805 -41.3937 -13.9102 15.4262 TIMING: 1467000 CPU: 4665.83, 0.00317916/step Wall: 4665.83, 0.00317916/step, 3.12 hours remaining, 236.871094 MB of memory in use. ENERGY: 1467000 3995.8759 20632.1316 14445.8079 240.8580 -203604.7560 2555.3361 0.0000 0.0000 51830.4588 -109904.2877 297.8704 -161734.7465 -109544.7532 298.1198 73.3243 103.0969 761919.7839 11.2214 11.1011 PRESSURE: 1467200 -61.4462 14.9574 -39.2337 14.9576 -24.4543 -265.153 -39.2345 -265.154 124.264 GPRESSURE: 1467200 42.1187 116.424 28.7575 46.5061 -14.7395 -188.31 -96.6007 -182.088 101.975 PRESSAVG: 1467200 44.7127 -6.69786 -28.244 -6.69788 -33.5343 -15.3359 -28.244 -15.3359 -21.9216 GPRESSAVG: 1467200 46.2378 -8.13561 -29.3053 -5.55458 -33.4022 -14.7081 -26.4995 -14.9861 -22.8404 TIMING: 1467200 CPU: 4666.46, 0.00318383/step Wall: 4666.46, 0.00318384/step, 3.1244 hours remaining, 236.871094 MB of memory in use. ENERGY: 1467200 3952.7974 20579.5788 14400.0471 233.1016 -203847.4495 2869.1012 0.0000 0.0000 51978.8698 -109833.9535 298.7233 -161812.8233 -109463.6610 298.3994 12.7879 43.1179 761290.7391 -3.5810 -3.3349 PRESSURE: 1467400 -29.0843 122.883 33.0785 122.883 -33.7569 -156.221 33.0782 -156.222 0.750707 GPRESSURE: 1467400 19.2358 207.473 109.031 55.9568 -37.3124 -130.913 -72.2565 -173.328 53.4003 PRESSAVG: 1467400 -31.4689 35.3684 0.647397 35.3684 40.419 -44.2382 0.647403 -44.2382 11.1619 GPRESSAVG: 1467400 -30.9755 36.1058 1.64842 35.7405 38.3737 -44.4123 -0.0533445 -45.6638 12.2248 TIMING: 1467400 CPU: 4667.1, 0.00318543/step Wall: 4667.1, 0.00318543/step, 3.12579 hours remaining, 236.871094 MB of memory in use. ENERGY: 1467400 3945.8326 20548.9489 14490.5726 264.2163 -203668.4078 2682.1942 0.0000 0.0000 51858.8829 -109877.7603 298.0337 -161736.6432 -109511.9931 297.8633 -20.6968 11.7746 761871.9843 6.7040 6.5410 PRESSURE: 1467600 -50.5692 36.1083 -140.811 36.1081 -261.614 -137.641 -140.812 -137.641 245.33 GPRESSURE: 1467600 -51.8815 130.455 -189.069 -51.6347 -149.888 -6.39162 -59.1092 -85.5188 222.036 PRESSAVG: 1467600 10.926 26.5618 -60.6492 26.5618 -29.2663 -43.7154 -60.6493 -43.7153 -4.24075 GPRESSAVG: 1467600 9.101 26.8884 -61.2239 26.4632 -26.509 -43.5945 -58.6675 -43.7376 -5.30481 TIMING: 1467600 CPU: 4667.74, 0.00321344/step Wall: 4667.74, 0.00321344/step, 3.15309 hours remaining, 236.871094 MB of memory in use. ENERGY: 1467600 3961.4353 20507.3565 14547.5538 233.8343 -203825.6169 2866.8463 0.0000 0.0000 52144.5023 -109564.0884 299.6752 -161708.5907 -109208.7785 298.4794 -22.2843 6.7555 761023.6188 -7.5270 -7.5709 PRESSURE: 1467800 199.394 101.947 147.272 101.946 -218.889 164.94 147.272 164.94 -167.08 GPRESSURE: 1467800 251.083 46.0906 88.879 90.4682 -204.926 207.874 204.836 164.171 -154.9 PRESSAVG: 1467800 34.8168 4.66914 25.5136 4.66914 -69.2965 -26.6906 25.5136 -26.6906 11.9675 GPRESSAVG: 1467800 35.1634 5.42573 24.7675 2.83321 -70.5412 -24.9515 25.4637 -26.6488 12.4942 TIMING: 1467800 CPU: 4668.39, 0.00320473/step Wall: 4668.39, 0.00320473/step, 3.14438 hours remaining, 236.871094 MB of memory in use. ENERGY: 1467800 3937.5948 20535.3925 14510.6869 243.7266 -203327.7184 2672.7711 0.0000 0.0000 51925.3015 -109502.2450 298.4154 -161427.5465 -109138.3514 299.4181 -62.1917 -36.2475 763009.9417 -7.5041 -7.6279 PRESSURE: 1468000 311.583 75.2857 175.516 75.2862 160.216 161.867 175.516 161.867 -177.28 GPRESSURE: 1468000 338.546 47.7354 173.298 74.2231 210.555 91.4095 128.557 81.4571 -177.788 PRESSAVG: 1468000 19.3282 29.0363 49.7482 29.0363 -8.05514 -9.00513 49.7482 -9.00512 -7.18713 GPRESSAVG: 1468000 18.6039 27.5769 51.1354 30.151 -7.55811 -10.6042 49.4798 -9.66504 -7.00188 TIMING: 1468000 CPU: 4669.03, 0.00323223/step Wall: 4669.03, 0.00323223/step, 3.17118 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 3944.5020 20613.2499 14582.1266 240.4653 -203792.0554 2875.8500 0.0000 0.0000 52004.4408 -109531.4207 298.8702 -161535.8616 -109173.1958 298.8392 98.1732 123.7710 761825.9104 1.3620 1.3480 PRESSURE: 1468200 214.757 -53.5697 -239.838 -53.5695 -385.011 -109.398 -239.839 -109.398 -153.219 GPRESSURE: 1468200 93.3996 -121.899 -267.925 -109.983 -243.608 -55.5565 -198.129 -58.5081 -98.1638 PRESSAVG: 1468200 25.4595 47.6024 -25.672 47.6025 27.6274 -25.8865 -25.6719 -25.8864 -15.6139 GPRESSAVG: 1468200 23.6792 48.0395 -26.1454 47.7599 27.884 -26.3399 -25.2679 -23.3285 -14.1968 TIMING: 1468200 CPU: 4669.67, 0.00319548/step Wall: 4669.67, 0.00319548/step, 3.13494 hours remaining, 236.871094 MB of memory in use. ENERGY: 1468200 4010.0107 20501.7626 14506.2244 268.0793 -203210.0888 2440.9370 0.0000 0.0000 52030.2409 -109452.8338 299.0185 -161483.0747 -109085.7905 299.8196 -107.8245 -82.7909 761030.4835 12.4910 12.4555 LDB: ============= START OF LOAD BALANCING ============== 4682.13 LDB: ============== END OF LOAD BALANCING =============== 4682.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4682.13 LDB: ============= START OF LOAD BALANCING ============== 4682.45 LDB: Largest compute 7059 load 0.039893 is 20.4% of average load 0.195176 LDB: Average compute 0.004430 is 2.3% of average load 0.195176 LDB: TIME 4682.46 LOAD: AVG 0.195176 MAX 0.215181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.641 MB LDB: TIME 4682.46 LOAD: AVG 0.195176 MAX 0.215181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.68 MB LDB: TIME 4682.46 LOAD: AVG 0.195176 MAX 0.215181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.68 MB LDB: ============== END OF LOAD BALANCING =============== 4682.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4682.46 PRESSURE: 1468400 -61.5045 -13.4253 -118.221 -13.4255 247.31 -2.1284 -118.223 -2.12825 21.641 GPRESSURE: 1468400 -18.8526 -84.1171 -79.0904 -129.202 272.11 14.5037 -269.921 -20.6771 47.602 PRESSAVG: 1468400 -41.9381 47.9288 -11.121 47.9288 24.9444 16.2888 -11.121 16.2887 -18.3404 GPRESSAVG: 1468400 -40.8002 47.8431 -10.9037 48.2673 24.2464 17.918 -11.5018 14.2117 -18.8468 TIMING: 1468400 CPU: 4670.33, 0.00327977/step Wall: 4670.33, 0.00327977/step, 3.21745 hours remaining, 236.667969 MB of memory in use. ENERGY: 1468400 3980.9097 20486.8662 14548.1474 257.1290 -203558.5521 2834.9054 0.0000 0.0000 52040.7080 -109409.8864 299.0787 -161450.5944 -109059.0877 299.6288 69.1489 100.2865 761770.5128 -11.7780 -11.8002 PRESSURE: 1468600 -46.9408 123.616 187.623 123.616 -60.8726 8.14413 187.623 8.14404 -547.636 GPRESSURE: 1468600 78.6616 227.324 185.381 132.367 -195.629 -57.2608 148.024 -24.7509 -443.911 PRESSAVG: 1468600 -19.048 20.8805 24.3441 20.8805 42.0091 51.8528 24.344 51.8528 4.74759 GPRESSAVG: 1468600 -18.4264 21.7161 23.6853 20.984 41.4529 50.738 23.4119 54.7736 4.73244 TIMING: 1468600 CPU: 4670.96, 0.00318294/step Wall: 4670.96, 0.00318294/step, 3.12228 hours remaining, 236.667969 MB of memory in use. ENERGY: 1468600 4084.3401 20456.8961 14511.2602 250.7674 -203342.2203 2583.2420 0.0000 0.0000 52263.1466 -109192.5679 300.3570 -161455.7145 -108827.8953 299.9595 -218.4833 -186.9594 762906.1144 9.2362 9.2530 PRESSURE: 1468800 277.039 163.401 35.5666 163.402 47.8094 -62.8728 35.5664 -62.8732 -5.7759 GPRESSURE: 1468800 189.222 188.32 11.4907 92.57 170.616 -80.4297 71.9614 -3.11145 31.1885 PRESSAVG: 1468800 54.0086 72.6287 -60.6588 72.6288 17.5172 18.0341 -60.6587 18.0342 -22.9828 GPRESSAVG: 1468800 53.6594 70.5254 -61.111 72.9313 17.2356 17.4246 -60.5068 16.9535 -22.3173 TIMING: 1468800 CPU: 4671.6, 0.00319203/step Wall: 4671.6, 0.00319203/step, 3.13102 hours remaining, 236.667969 MB of memory in use. ENERGY: 1468800 3903.0011 20491.8052 14574.5612 246.0276 -203302.1749 2627.6088 0.0000 0.0000 52228.0111 -109231.1599 300.1551 -161459.1710 -108868.3384 299.6782 106.3576 130.3419 761771.6662 16.1810 16.1925 PRESSURE: 1469000 -156.714 -56.0215 -90.625 -56.0208 -375.759 82.6197 -90.6242 82.619 -257.863 GPRESSURE: 1469000 -75.2522 60.1065 -50.3288 -95.7983 -353.211 85.4781 -81.3247 -54.2744 -266.444 PRESSAVG: 1469000 -20.8521 15.6418 20.1314 15.6418 13.1797 21.6785 20.1314 21.6786 -2.28307 GPRESSAVG: 1469000 -21.5566 18.5962 20.8765 12.5426 13.8712 23.8119 20.2823 20.9748 -2.36815 TIMING: 1469000 CPU: 4672.24, 0.00320049/step Wall: 4672.24, 0.00320049/step, 3.13915 hours remaining, 236.667969 MB of memory in use. ENERGY: 1469000 3929.1535 20601.3812 14503.9474 247.1691 -202885.9112 2322.0741 0.0000 0.0000 51925.5281 -109356.6578 298.4167 -161282.1859 -108988.3153 299.1098 -263.4451 -231.6358 762207.1792 -3.3185 -3.3512 PRESSURE: 1469200 -18.9821 110.305 -28.3533 110.305 105.866 311.878 -28.3538 311.878 16.5913 GPRESSURE: 1469200 -21.593 83.8213 -42.3392 41.8331 231.363 305.758 -92.7204 271.401 -34.4405 PRESSAVG: 1469200 12.5647 12.8266 -12.4639 12.8267 2.71602 47.6748 -12.464 47.6748 -7.57773 GPRESSAVG: 1469200 12.7533 10.0749 -11.6622 14.7805 3.46153 46.4964 -12.6545 47.8318 -8.38705 TIMING: 1469200 CPU: 4672.88, 0.00317965/step Wall: 4672.88, 0.00317965/step, 3.11853 hours remaining, 236.667969 MB of memory in use. ENERGY: 1469200 3979.2662 20651.3286 14496.8231 248.5913 -203437.9077 2714.6541 0.0000 0.0000 52114.3395 -109232.9048 299.5018 -161347.2443 -108865.2405 299.2136 34.4918 58.4430 762328.4709 2.5677 2.6093 PRESSURE: 1469400 -215.934 18.9979 52.0642 18.998 -55.9614 59.2361 52.0641 59.2372 -421.116 GPRESSURE: 1469400 -171.159 46.1932 -25.1887 79.2153 -9.11863 72.5328 153.131 143.455 -415.658 PRESSAVG: 1469400 -28.1106 1.62368 -0.299513 1.62368 31.3896 28.6206 -0.299543 28.6205 15.094 GPRESSAVG: 1469400 -26.7644 3.63113 -2.10513 1.22038 30.3239 28.3789 1.10617 29.8112 14.7961 TIMING: 1469400 CPU: 4673.51, 0.00317577/step Wall: 4673.51, 0.00317577/step, 3.11455 hours remaining, 236.667969 MB of memory in use. ENERGY: 1469400 4068.1744 20591.0339 14554.0157 246.6543 -203408.7088 2610.5821 0.0000 0.0000 51965.3540 -109372.8945 298.6456 -161338.2485 -109008.7506 299.8075 -231.0037 -198.6452 760665.2537 6.1243 6.1185 PRESSURE: 1469600 349.63 27.6299 -22.7527 27.6298 164.193 164.485 -22.7521 164.485 163.413 GPRESSURE: 1469600 372.734 66.3862 36.5659 34.0286 225.697 123.146 -80.1527 51.2804 148.652 PRESSAVG: 1469600 46.4838 32.8368 18.9172 32.8367 -39.829 -13.4711 18.9173 -13.4711 -10.502 GPRESSAVG: 1469600 45.6585 29.4652 18.3124 34.996 -39.6553 -12.1685 17.641 -16.3042 -10.2134 TIMING: 1469600 CPU: 4674.15, 0.00318574/step Wall: 4674.15, 0.00318574/step, 3.12415 hours remaining, 236.667969 MB of memory in use. ENERGY: 1469600 3972.5469 20447.9776 14404.0845 258.8475 -203670.8767 2713.9384 0.0000 0.0000 52338.7754 -109534.7063 300.7917 -161873.4817 -109175.5322 299.4256 225.7455 249.0275 760687.1954 -1.2824 -1.4034 PRESSURE: 1469800 -493.354 150.689 200.109 150.689 183.494 -156.662 200.109 -156.662 234.854 GPRESSURE: 1469800 -368.871 107.874 279.775 286.152 97.2815 -241.634 41.3941 -169.06 295.82 PRESSAVG: 1469800 26.2894 86.4814 -8.8579 86.4814 -39.635 38.4937 -8.85801 38.4937 23.0187 GPRESSAVG: 1469800 27.4297 89.2142 -6.39313 84.4201 -40.0802 37.1475 -10.5585 41.8391 23.3148 TIMING: 1469800 CPU: 4674.79, 0.00318195/step Wall: 4674.79, 0.00318195/step, 3.12026 hours remaining, 236.667969 MB of memory in use. ENERGY: 1469800 4006.6814 20716.0576 14484.0259 257.2565 -203268.2350 2505.4421 0.0000 0.0000 51956.3579 -109342.4136 298.5939 -161298.7715 -108988.7601 299.3128 -25.0018 8.0768 760149.5508 3.2244 3.5548 PRESSURE: 1470000 -232.384 247.36 54.0098 247.361 -356.863 -237.993 54.0098 -237.991 -105.812 GPRESSURE: 1470000 -191.883 179.787 67.0454 177.535 -364.583 -217.091 -41.0004 -207.901 -47.7489 PRESSAVG: 1470000 18.2291 -16.3001 -39.7656 -16.3002 -7.28373 -2.16053 -39.7655 -2.1605 15.1195 GPRESSAVG: 1470000 17.6288 -17.5391 -41.7111 -15.6226 -7.0661 -2.6991 -38.421 -3.11727 15.1988 TIMING: 1470000 CPU: 4675.42, 0.00318096/step Wall: 4675.42, 0.00318096/step, 3.11911 hours remaining, 236.667969 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: 1470000 3986.9143 20636.5666 14608.1935 244.9941 -203438.6846 2628.3052 0.0000 0.0000 51857.5822 -109476.1287 298.0262 -161333.7109 -109118.3114 299.0982 -231.6861 -201.4048 761169.6553 8.6883 8.5872 PRESSURE: 1470200 426.619 235.254 124.559 235.255 267.755 -125.501 124.559 -125.5 -21.2355 GPRESSURE: 1470200 423.477 196.99 152.676 206.847 283.322 -207.084 134.451 -29.7819 52.3766 PRESSAVG: 1470200 33.2331 -9.27368 8.6642 -9.27367 -34.0549 -36.9488 8.66421 -36.9488 7.56309 GPRESSAVG: 1470200 32.8507 -7.86147 10.5876 -9.88398 -33.7458 -35.7636 10.4495 -36.3146 7.48841 TIMING: 1470200 CPU: 4676.06, 0.00318438/step Wall: 4676.06, 0.00318438/step, 3.12229 hours remaining, 236.667969 MB of memory in use. ENERGY: 1470200 3875.9959 20672.9018 14481.1348 274.0968 -203486.1386 2704.9099 0.0000 0.0000 52276.4724 -109200.6270 300.4336 -161477.0994 -108838.3926 299.4921 224.3796 253.0586 760824.4377 2.2471 2.1978 PRESSURE: 1470400 332.908 63.5903 -0.205647 63.5899 195.975 202.643 -0.205302 202.643 68.3531 GPRESSURE: 1470400 318.708 25.913 44.5828 -12.0164 244.263 185.77 25.5798 216.971 95.4591 PRESSAVG: 1470400 45.479 16.1512 -25.712 16.1512 -55.0194 13.3155 -25.712 13.3155 17.2868 GPRESSAVG: 1470400 45.1993 14.4795 -25.6659 17.9281 -55.855 12.3903 -26.3359 11.6696 17.9437 TIMING: 1470400 CPU: 4676.7, 0.00320617/step Wall: 4676.7, 0.00320617/step, 3.14347 hours remaining, 236.667969 MB of memory in use. ENERGY: 1470400 3907.9315 20763.4805 14559.8674 247.4475 -203308.0404 2763.1681 0.0000 0.0000 51903.7929 -109162.3525 298.2918 -161066.1454 -108806.6666 299.8941 199.0786 219.4766 760665.7383 2.5821 2.4293 PRESSURE: 1470600 -149.804 158.7 -30.8826 158.699 -127.198 -79.4523 -30.883 -79.4517 -241.82 GPRESSURE: 1470600 -71.9618 -4.49845 8.82973 198.535 -101.978 -152.704 187.327 -53.4339 -239.88 PRESSAVG: 1470600 67.4121 23.1773 -25.723 23.1772 -77.3255 -0.719477 -25.723 -0.719456 -5.29102 GPRESSAVG: 1470600 67.5407 24.8472 -25.2102 21.9894 -76.2424 -1.13777 -26.4462 0.343707 -5.99021 TIMING: 1470600 CPU: 4677.34, 0.00320085/step Wall: 4677.34, 0.00320085/step, 3.13807 hours remaining, 236.667969 MB of memory in use. ENERGY: 1470600 4068.4155 20570.6799 14482.7487 246.8821 -202985.6727 2402.1920 0.0000 0.0000 52243.1413 -108971.6132 300.2421 -161214.7545 -108614.0365 300.2058 -172.9404 -137.9400 761714.6874 -5.0681 -4.8973 PRESSURE: 1470800 -8.0688 -97.4433 179.772 -97.4431 296.432 -43.4325 179.772 -43.4323 -258.146 GPRESSURE: 1470800 80.4814 -173.472 164.533 -145.204 220.814 -69.8623 141.852 -70.7378 -193.975 PRESSAVG: 1470800 47.0349 -4.14518 3.43952 -4.14524 -14.1617 -6.88838 3.43952 -6.88837 -7.16669 GPRESSAVG: 1470800 45.5986 -3.12491 1.67409 -6.57414 -14.1676 -7.40974 3.89175 -7.31762 -6.07031 TIMING: 1470800 CPU: 4677.98, 0.00320846/step Wall: 4677.98, 0.00320846/step, 3.14536 hours remaining, 236.667969 MB of memory in use. ENERGY: 1470800 3999.2188 20597.6215 14494.9085 263.1122 -203331.7057 2698.9710 0.0000 0.0000 52091.5972 -109186.2765 299.3711 -161277.8738 -108831.7053 299.9443 10.0723 35.7735 761091.8757 8.5688 8.4536 PRESSURE: 1471000 -174.415 139.072 101.521 139.071 -330.606 212.854 101.522 212.853 -652.803 GPRESSURE: 1471000 -106.101 144.175 84.3696 154.662 -300.864 231.347 79.8985 221.13 -669.157 PRESSAVG: 1471000 48.4088 13.3829 -20.2441 13.3829 -20.8474 2.20467 -20.2441 2.20463 3.34941 GPRESSAVG: 1471000 49.8043 11.1343 -19.853 14.3052 -21.1322 4.35395 -20.3956 2.12391 2.46652 TIMING: 1471000 CPU: 4678.62, 0.0031701/step Wall: 4678.62, 0.0031701/step, 3.10758 hours remaining, 236.667969 MB of memory in use. ENERGY: 1471000 4054.0349 20596.1665 14553.7950 257.0200 -203383.0100 2482.9364 0.0000 0.0000 52222.0329 -109217.0242 300.1207 -161439.0572 -108848.4535 300.1549 -385.9414 -358.7072 761838.3720 10.3036 10.3795 PRESSURE: 1471200 -417.756 6.86819 27.932 6.86734 -211.506 169.055 27.9321 169.056 -586.241 GPRESSURE: 1471200 -348.726 -55.154 87.9331 119.781 -260.964 154.79 3.9033 145.985 -540.414 PRESSAVG: 1471200 7.45969 56.5082 -1.59535 56.5082 -15.808 30.3994 -1.59539 30.3994 13.6995 GPRESSAVG: 1471200 7.98771 59.6464 -1.89544 55.8771 -16.3991 29.4056 -0.461859 31.0683 14.0475 TIMING: 1471200 CPU: 4679.25, 0.00318207/step Wall: 4679.25, 0.00318207/step, 3.11914 hours remaining, 236.667969 MB of memory in use. ENERGY: 1471200 3956.4339 20649.5808 14474.3358 246.9303 -202962.2483 2131.4838 0.0000 0.0000 52266.7644 -109236.7195 300.3778 -161503.4839 -108877.1993 299.6160 -405.1680 -383.3678 762576.9550 1.7837 1.8787 PRESSURE: 1471400 -217.617 128.406 76.4846 128.406 -107.993 18.5265 76.4842 18.527 94.7126 GPRESSURE: 1471400 -200.584 100.817 157.057 69.2014 -20.8952 -45.6642 91.8739 43.7649 77.4005 PRESSAVG: 1471400 31.2456 60.6454 -36.8289 60.6455 -33.5732 9.76682 -36.8288 9.76684 10.2203 GPRESSAVG: 1471400 29.7602 59.1298 -37.2325 61.699 -33.0822 11.1918 -38.0981 9.38762 10.9195 TIMING: 1471400 CPU: 4679.89, 0.00320188/step Wall: 4679.89, 0.00320188/step, 3.13837 hours remaining, 236.667969 MB of memory in use. ENERGY: 1471400 3988.1470 20628.3682 14499.6962 251.6581 -203216.9253 2547.9370 0.0000 0.0000 52104.9891 -109196.1297 299.4481 -161301.1188 -108831.6940 299.9485 -76.9658 -48.0263 761537.5113 2.6309 2.5325 PRESSURE: 1471600 -209.425 -164.004 -44.8636 -164.004 -111.031 -200.831 -44.8637 -200.831 -266.667 GPRESSURE: 1471600 -211.719 -45.5939 27.3968 -164.812 -117.33 -209.047 -81.0366 -237.435 -195.93 PRESSAVG: 1471600 81.4982 13.8411 35.982 13.8412 -37.6818 33.7244 35.982 33.7245 32.0591 GPRESSAVG: 1471600 81.6883 15.9994 35.6839 13.7875 -38.4714 34.4084 37.7704 33.2067 32.1175 TIMING: 1471600 CPU: 4680.54, 0.00323436/step Wall: 4680.54, 0.00323436/step, 3.17003 hours remaining, 236.667969 MB of memory in use. ENERGY: 1471600 4017.2734 20711.5848 14553.7178 242.0385 -203149.5679 2346.5512 0.0000 0.0000 52183.0760 -109095.3262 299.8969 -161278.4022 -108736.7863 300.1980 -195.7075 -174.9930 761671.5547 25.2919 25.1115 PRESSURE: 1471800 319.315 94.62 -87.1465 94.6197 237.208 194.967 -87.1475 194.967 -259.975 GPRESSURE: 1471800 299.228 216.33 -51.7039 19.5987 288.164 122.329 -119.686 100.085 -212.617 PRESSAVG: 1471800 55.8142 -12.4315 4.59631 -12.4314 -66.613 18.8709 4.59624 18.8709 -14.7049 GPRESSAVG: 1471800 56.5749 -13.4518 3.88209 -12.5044 -66.1442 16.6493 3.56985 19.9967 -15.6062 TIMING: 1471800 CPU: 4681.18, 0.00320301/step Wall: 4681.18, 0.00320301/step, 3.13912 hours remaining, 236.667969 MB of memory in use. ENERGY: 1471800 4000.4138 20680.8739 14493.6517 250.4412 -203398.5335 2630.8358 0.0000 0.0000 52107.4555 -109234.8617 299.4623 -161342.3172 -108878.4428 299.3666 98.8493 124.9248 760770.9575 -8.5012 -8.3918 PRESSURE: 1472000 -205.532 78.3731 227.474 78.3743 -121.831 2.56589 227.474 2.5651 -26.3195 GPRESSURE: 1472000 -148.487 166.712 210.667 82.4575 -124.753 31.2885 230.624 3.30094 10.799 PRESSAVG: 1472000 9.31029 -15.7472 18.0852 -15.7473 -30.8936 -20.2482 18.0852 -20.2481 -7.36351 GPRESSAVG: 1472000 9.18898 -14.3596 19.4249 -16.1924 -29.5729 -18.6127 18.4805 -18.9367 -7.58698 TIMING: 1472000 CPU: 4681.82, 0.00321689/step Wall: 4681.82, 0.00321689/step, 3.15255 hours remaining, 236.667969 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: 1472000 4043.4046 20571.9701 14574.5459 237.6111 -203447.9047 2752.3316 0.0000 0.0000 52200.3997 -109067.6415 299.9964 -161268.0412 -108701.1679 300.0824 -117.8940 -87.4803 763095.0382 -9.6489 -9.3236 PRESSURE: 1472200 -301.89 121.324 273.085 121.324 9.30316 24.0207 273.085 24.0206 -68.774 GPRESSURE: 1472200 -241.521 68.5309 272.864 5.0355 52.5987 -91.7869 184.486 41.9974 -84.1508 PRESSAVG: 1472200 -10.0353 -43.7404 20.1343 -43.7403 3.48646 31.3559 20.1343 31.3559 30.2385 GPRESSAVG: 1472200 -10.326 -46.4517 17.9437 -42.5859 3.5219 30.3521 19.7633 30.753 30.3866 TIMING: 1472200 CPU: 4682.47, 0.00321208/step Wall: 4682.47, 0.00321208/step, 3.14766 hours remaining, 236.667969 MB of memory in use. ENERGY: 1472200 3961.6872 20712.2275 14555.4379 250.8384 -203267.1592 2563.1219 0.0000 0.0000 52243.9706 -108979.8758 300.2468 -161223.8464 -108617.0742 300.0326 -120.4536 -91.0245 762942.0396 7.8966 7.8608 LDB: ============= START OF LOAD BALANCING ============== 4694.92 LDB: ============== END OF LOAD BALANCING =============== 4694.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4694.92 LDB: ============= START OF LOAD BALANCING ============== 4695.25 LDB: Largest compute 7059 load 0.039016 is 20.0% of average load 0.195092 LDB: Average compute 0.004444 is 2.3% of average load 0.195092 LDB: TIME 4695.25 LOAD: AVG 0.195092 MAX 0.21625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.18 MB LDB: TIME 4695.25 LOAD: AVG 0.195092 MAX 0.21625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: TIME 4695.25 LOAD: AVG 0.195092 MAX 0.21625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: ============== END OF LOAD BALANCING =============== 4695.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4695.26 PRESSURE: 1472400 -7.50823 -216.722 -22.2619 -216.722 18.0476 374.914 -22.2617 374.914 -439.707 GPRESSURE: 1472400 61.9881 -225.014 -12.1673 -128.531 -72.485 364.066 -173.081 253.624 -321.68 PRESSAVG: 1472400 9.71097 8.82243 23.5271 8.82245 35.529 23.0296 23.5271 23.0297 19.3653 GPRESSAVG: 1472400 10.1952 8.94836 27.2354 8.06158 35.5 23.5442 19.5047 22.0405 18.8354 TIMING: 1472400 CPU: 4683.12, 0.0032749/step Wall: 4683.12, 0.0032749/step, 3.20904 hours remaining, 238.402344 MB of memory in use. ENERGY: 1472400 3938.3774 20488.5876 14434.2129 254.0817 -203302.9233 2718.7965 0.0000 0.0000 52343.1485 -109125.7188 300.8168 -161468.8672 -108755.7633 300.3073 -143.0558 -110.7256 762850.2511 21.5351 21.5102 PRESSURE: 1472600 294.716 67.25 54.1407 67.2493 80.7 -83.7342 54.1407 -83.734 115.038 GPRESSURE: 1472600 229.6 110.162 218.509 -7.48544 96.1772 -81.799 -39.2244 -57.9204 236.72 PRESSAVG: 1472600 -47.3479 25.6758 -13.4739 25.6757 38.1046 -5.85276 -13.4739 -5.85278 -30.6967 GPRESSAVG: 1472600 -48.2324 26.2986 -15.4582 24.4148 38.0352 -4.504 -10.0636 -5.18968 -29.6624 TIMING: 1472600 CPU: 4683.77, 0.00321816/step Wall: 4683.77, 0.00321816/step, 3.15326 hours remaining, 238.402344 MB of memory in use. ENERGY: 1472600 4068.3039 20713.0443 14500.1194 243.1527 -203181.6831 2681.8219 0.0000 0.0000 52021.6708 -108953.5701 298.9693 -160975.2410 -108588.4752 299.7519 163.4846 187.4990 763013.6217 -13.3133 -13.2865 PRESSURE: 1472800 115.956 23.5734 188.804 23.5735 -321.872 -298.184 188.804 -298.184 -152.252 GPRESSURE: 1472800 166.363 -61.346 189.629 15.579 -304.196 -374.569 6.84145 -295.754 -141.534 PRESSAVG: 1472800 -53.7015 25.0392 -6.971 25.0392 23.509 -33.1635 -6.97104 -33.1636 5.3242 GPRESSAVG: 1472800 -51.9769 25.6642 -6.52049 25.7566 21.5158 -33.7707 -6.24016 -33.4031 4.74765 TIMING: 1472800 CPU: 4684.4, 0.00319677/step Wall: 4684.4, 0.00319677/step, 3.13213 hours remaining, 238.402344 MB of memory in use. ENERGY: 1472800 3977.2719 20568.6438 14500.6302 239.2702 -203078.0395 2451.6806 0.0000 0.0000 52239.0172 -109101.5257 300.2183 -161340.5429 -108732.3125 299.6524 -119.3894 -93.1222 762045.5049 -8.2894 -8.5711 PRESSURE: 1473000 -239.127 -14.545 15.9934 -14.5452 -195.779 -213.089 15.9933 -213.089 -117.105 GPRESSURE: 1473000 -90.7481 -83.0052 -32.0795 42.1158 -273.602 -167.247 83.5337 -200.462 -81.3222 PRESSAVG: 1473000 2.18899 15.6338 32.9344 15.6338 13.9646 8.15968 32.9345 8.15967 20.5039 GPRESSAVG: 1473000 1.17028 13.7285 32.6638 15.1684 13.9607 6.15517 32.8054 8.63182 21.073 TIMING: 1473000 CPU: 4685.05, 0.00321288/step Wall: 4685.05, 0.00321288/step, 3.14773 hours remaining, 238.402344 MB of memory in use. ENERGY: 1473000 4029.1692 20497.6993 14569.1457 264.6081 -203262.4564 2507.4743 0.0000 0.0000 52203.1636 -109191.1963 300.0123 -161394.3598 -108823.7585 300.3261 -184.0034 -148.5576 762614.6884 12.2192 12.0680 PRESSURE: 1473200 266.704 -94.4787 -53.2981 -94.4782 115.628 -108.999 -53.2982 -108.999 -112.468 GPRESSURE: 1473200 247.357 10.7369 4.82887 -67.5032 214.626 -151.086 -75.3095 52.7947 -104.733 PRESSAVG: 1473200 34.9873 -20.1308 15.4123 -20.1308 -36.7242 22.7424 15.4122 22.7423 -5.7645 GPRESSAVG: 1473200 35.8538 -17.876 16.1315 -19.1912 -35.905 25.1668 14.504 22.0778 -7.62823 TIMING: 1473200 CPU: 4685.69, 0.00320885/step Wall: 4685.69, 0.00320885/step, 3.1436 hours remaining, 238.402344 MB of memory in use. ENERGY: 1473200 3981.9052 20700.3837 14394.1608 241.9419 -203579.3041 2856.9290 0.0000 0.0000 52077.4728 -109326.5107 299.2900 -161403.9835 -108964.4289 299.6536 89.9548 119.0836 760213.6299 -2.5005 -2.5598 PRESSURE: 1473400 69.6176 81.3546 -54.7461 81.3548 -386.8 -147.698 -54.746 -147.699 -158.303 GPRESSURE: 1473400 119.708 29.7708 96.1029 150.092 -340.748 -208.31 -154.245 -109.422 -162.086 PRESSAVG: 1473400 12.0811 -39.1425 -14.3435 -39.1424 -1.16302 18.0549 -14.3435 18.0549 -3.34924 GPRESSAVG: 1473400 11.7419 -40.1329 -15.9192 -39.5485 -1.44431 17.4703 -13.012 17.3592 -3.142 TIMING: 1473400 CPU: 4686.33, 0.00318836/step Wall: 4686.33, 0.00318836/step, 3.12335 hours remaining, 238.402344 MB of memory in use. ENERGY: 1473400 3964.4304 20500.2022 14491.6454 251.2990 -203702.1601 2668.6146 0.0000 0.0000 52451.1684 -109374.8001 301.4376 -161825.9685 -109014.5440 299.5174 -158.4949 -127.7087 760974.8464 2.5230 2.3852 PRESSURE: 1473600 -412.36 15.9469 154.973 15.9466 304.358 48.0442 154.974 48.0449 322.557 GPRESSURE: 1473600 -280.092 34.723 150.36 73.9087 281.064 41.2884 105.603 -98.972 296.925 PRESSAVG: 1473600 43.2428 -10.3734 -4.28212 -10.3734 -18.8345 5.10365 -4.28217 5.10364 6.92399 GPRESSAVG: 1473600 43.0178 -10.4479 -4.46423 -9.76709 -18.7818 5.72601 -4.89844 4.52904 7.01053 TIMING: 1473600 CPU: 4686.97, 0.00319819/step Wall: 4686.97, 0.00319819/step, 3.1328 hours remaining, 238.402344 MB of memory in use. ENERGY: 1473600 3985.5951 20562.1581 14524.5345 239.7784 -203520.0450 2520.7958 0.0000 0.0000 52192.2959 -109494.8872 299.9498 -161687.1831 -109136.2109 299.8047 71.5181 99.2989 761328.7005 10.4441 10.4155 PRESSURE: 1473800 -109.127 -160.509 -9.89258 -160.509 -704.347 -84.1131 -9.89239 -84.1134 -162.284 GPRESSURE: 1473800 -150.035 -64.5856 32.5399 -69.5226 -567.392 -7.7585 -31.788 -59.9017 -165.896 PRESSAVG: 1473800 -72.5309 -42.2497 -38.309 -42.2497 5.68063 -58.0849 -38.309 -58.085 16.8493 GPRESSAVG: 1473800 -72.5146 -42.3737 -38.2367 -42.2629 6.29524 -59.5481 -37.6837 -59.2279 16.6273 TIMING: 1473800 CPU: 4687.61, 0.00319344/step Wall: 4687.61, 0.00319344/step, 3.12797 hours remaining, 238.402344 MB of memory in use. ENERGY: 1473800 3980.9296 20583.5546 14552.8098 230.8896 -203478.5481 2354.6337 0.0000 0.0000 52193.9421 -109581.7887 299.9593 -161775.7308 -109220.1198 299.4356 -325.2526 -294.4409 762347.3162 -16.6670 -16.5307 PRESSURE: 1474000 96.9994 -33.2082 269.057 -33.2083 317.433 -25.2839 269.057 -25.2847 182.346 GPRESSURE: 1474000 77.9467 -42.6096 233.952 -35.2351 448.308 -9.23422 273.682 77.1077 140.109 PRESSAVG: 1474000 -34.1267 -47.3681 -17.116 -47.3681 59.4467 -35.313 -17.116 -35.313 12.9075 GPRESSAVG: 1474000 -34.5742 -47.5848 -17.8394 -48.0465 59.2125 -34.3715 -16.7376 -31.6058 13.7083 TIMING: 1474000 CPU: 4688.24, 0.00318369/step Wall: 4688.24, 0.00318369/step, 3.11825 hours remaining, 238.402344 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: 1474000 3934.4500 20699.9530 14482.0930 218.5266 -204201.3698 3134.7439 0.0000 0.0000 52046.3855 -109685.2178 299.1113 -161731.6034 -109327.9984 299.3053 198.9262 222.1213 760649.4278 12.7425 12.7822 PRESSURE: 1474200 108.498 91.2977 -208.316 91.2972 199.631 -7.29413 -208.315 -7.29456 -113.375 GPRESSURE: 1474200 45.7567 136.016 -182.265 -8.74215 214.554 -81.345 -20.5884 -17.4512 15.9319 PRESSAVG: 1474200 18.9553 -20.3747 -1.97071 -20.3747 30.1159 0.408032 -1.97064 0.407962 -16.5718 GPRESSAVG: 1474200 21.1517 -20.2191 0.284598 -20.5341 29.4081 0.225804 -2.17453 -3.50241 -17.8035 TIMING: 1474200 CPU: 4688.88, 0.00319292/step Wall: 4688.88, 0.00319292/step, 3.12711 hours remaining, 238.402344 MB of memory in use. ENERGY: 1474200 3937.4933 20488.7736 14522.3676 250.3885 -203296.2842 2464.3624 0.0000 0.0000 51856.1589 -109776.7399 298.0181 -161632.8988 -109417.4407 298.8732 64.9179 92.0810 762048.7731 10.8331 10.9187 PRESSURE: 1474400 -85.9756 -191.931 142.507 -191.931 -12.0593 -169.688 142.507 -169.688 -265.269 GPRESSURE: 1474400 -51.2696 -143.553 115.657 -224.027 43.1206 -239.553 87.3941 -50.6649 -290.224 PRESSAVG: 1474400 -52.4803 -68.9398 5.73774 -68.9398 47.962 -11.1334 5.73773 -11.1333 0.28069 GPRESSAVG: 1474400 -52.418 -67.3537 4.71077 -68.2296 47.5586 -10.6699 6.38316 -9.15271 1.03354 TIMING: 1474400 CPU: 4689.52, 0.00318603/step Wall: 4689.52, 0.00318603/step, 3.12018 hours remaining, 238.402344 MB of memory in use. ENERGY: 1474400 4025.9232 20547.9531 14440.8365 240.2438 -203706.1185 2696.6059 0.0000 0.0000 52081.5182 -109673.0378 299.3132 -161754.5560 -109312.7298 298.6259 -121.1012 -99.4576 761678.6338 -1.4125 -1.2753 PRESSURE: 1474600 131.52 -58.9055 8.3912 -58.9068 179.253 -260.016 8.39181 -260.016 543.718 GPRESSURE: 1474600 131.643 -37.1198 -14.5229 -116.986 270.051 -198.12 -49.5727 -233.735 543.856 PRESSAVG: 1474600 -26.5478 -48.2754 7.44697 -48.2755 47.3588 -28.3528 7.44696 -28.3527 3.38121 GPRESSAVG: 1474600 -28.3005 -47.6829 7.93077 -49.7734 48.4804 -30.6956 4.60751 -25.759 3.58857 TIMING: 1474600 CPU: 4690.15, 0.00316372/step Wall: 4690.15, 0.00316372/step, 3.09817 hours remaining, 238.402344 MB of memory in use. ENERGY: 1474600 4055.6166 20321.9114 14450.3324 242.3267 -203769.7939 3031.1675 0.0000 0.0000 52236.5566 -109431.8826 300.2042 -161668.4392 -109062.9241 299.0723 284.8306 315.1833 759534.1173 8.0640 7.9228 PRESSURE: 1474800 338.493 8.94427 -20.5599 8.94481 -219.728 186.334 -20.56 186.335 -171.407 GPRESSURE: 1474800 361.024 39.8822 -3.72182 -2.17547 -137.819 228.826 32.6096 -97.8394 -174.177 PRESSAVG: 1474800 -24.9774 11.7105 0.56165 11.7105 -44.1887 32.404 0.561697 32.4039 3.00683 GPRESSAVG: 1474800 -24.7773 10.1434 0.987199 14.3945 -45.126 34.4537 1.8149 30.0867 3.94632 TIMING: 1474800 CPU: 4690.78, 0.00316668/step Wall: 4690.78, 0.00316668/step, 3.10088 hours remaining, 238.402344 MB of memory in use. ENERGY: 1474800 4012.3387 20460.4105 14434.8063 269.5837 -203436.0833 2644.3177 0.0000 0.0000 52296.9883 -109317.6381 300.5515 -161614.6264 -108958.5505 299.3837 -17.5474 16.3425 759799.1174 -22.0531 -21.9857 PRESSURE: 1475000 -296.792 -48.6812 66.7464 -48.6811 175.015 -14.0147 66.7459 -14.0137 -346.439 GPRESSURE: 1475000 -239.532 -77.9352 4.06456 -67.9029 176.693 22.0028 152.144 -37.1278 -310.78 PRESSAVG: 1475000 -9.87336 -32.8179 -24.9048 -32.818 41.0585 1.68618 -24.9049 1.68615 -23.0448 GPRESSAVG: 1475000 -9.2884 -31.5523 -26.2708 -33.4242 42.3831 0.568367 -24.6977 -0.230546 -24.2456 TIMING: 1475000 CPU: 4691.42, 0.00319912/step Wall: 4691.42, 0.00319912/step, 3.13247 hours remaining, 238.402344 MB of memory in use. ENERGY: 1475000 3980.8091 20632.1533 14540.1349 240.9315 -203359.0022 2359.1773 0.0000 0.0000 52370.9135 -109234.8826 300.9764 -161605.7961 -108861.4449 300.3517 -156.0719 -124.5397 761467.8811 2.7134 2.9497 PRESSURE: 1475200 -267.383 -62.7592 151.929 -62.758 -254.436 94.1056 151.929 94.1064 -358.214 GPRESSURE: 1475200 -220.96 -20.7591 171.598 -55.3153 -268.271 141.678 41.941 96.2144 -298.773 PRESSAVG: 1475200 -18.3033 -39.444 38.9055 -39.444 65.7443 14.8052 38.9055 14.8051 -3.25842 GPRESSAVG: 1475200 -18.1953 -38.7285 40.7166 -40.0858 65.1531 16.6766 36.8913 15.8331 -2.80555 TIMING: 1475200 CPU: 4692.06, 0.00317685/step Wall: 4692.06, 0.00317685/step, 3.11049 hours remaining, 238.402344 MB of memory in use. ENERGY: 1475200 4047.7614 20547.1273 14536.0671 248.3271 -203296.0544 2696.8574 0.0000 0.0000 52072.1356 -109147.7785 299.2593 -161219.9141 -108779.2817 300.2714 -293.3445 -262.6678 763061.6941 14.7275 14.7174 PRESSURE: 1475400 112.76 -92.0633 -91.1487 -92.0632 175.489 -59.848 -91.1497 -59.8476 371.469 GPRESSURE: 1475400 122.33 40.0882 -10.6924 -113.843 218.645 -78.4848 -140.192 37.0601 403.713 PRESSAVG: 1475400 14.4896 -16.732 -6.55875 -16.732 -21.105 -46.1865 -6.55885 -46.1865 13.5624 GPRESSAVG: 1475400 14.4297 -16.8842 -7.97928 -16.4689 -21.3157 -46.6412 -5.95899 -46.9957 13.3526 TIMING: 1475400 CPU: 4692.7, 0.00319735/step Wall: 4692.7, 0.00319735/step, 3.13039 hours remaining, 238.402344 MB of memory in use. ENERGY: 1475400 3913.8361 20615.6888 14454.8635 241.1728 -203580.9590 2879.3138 0.0000 0.0000 52262.1365 -109213.9473 300.3512 -161476.0839 -108846.3818 299.4186 219.9059 248.2298 761827.4852 2.3156 2.1555 PRESSURE: 1475600 -226.701 -8.33888 220.9 -8.33935 11.4719 -138.2 220.9 -138.2 -496.531 GPRESSURE: 1475600 -93.1161 -28.1941 235.414 5.72679 -29.0638 -77.0238 46.3692 -83.5291 -485.5 PRESSAVG: 1475600 -20.6455 -13.8086 29.4129 -13.8086 21.5658 -61.9689 29.4129 -61.9689 1.82568 GPRESSAVG: 1475600 -19.9649 -15.4598 29.766 -15.4517 22.6238 -61.679 28.3644 -62.4646 0.406605 TIMING: 1475600 CPU: 4693.34, 0.00319594/step Wall: 4693.34, 0.00319594/step, 3.12882 hours remaining, 238.402344 MB of memory in use. ENERGY: 1475600 4027.4344 20670.6791 14545.8232 260.5922 -203063.0543 2337.9637 0.0000 0.0000 51904.9222 -109315.6395 298.2983 -161220.5617 -108949.9850 299.5724 -237.2531 -202.5599 762675.0937 0.9153 1.0218 PRESSURE: 1475800 -52.7711 23.3157 -144.277 23.3158 -157.066 128.579 -144.277 128.58 -123.109 GPRESSURE: 1475800 21.5675 59.8744 -103.376 22.7626 -104.098 87.318 -190.084 30.9514 -157.676 PRESSAVG: 1475800 -31.5721 12.2006 13.7085 12.2006 38.7368 0.189808 13.7084 0.189866 -4.55411 GPRESSAVG: 1475800 -31.8559 11.2924 11.5864 14.6198 39.3782 -0.194565 16.7797 0.789883 -4.45391 TIMING: 1475800 CPU: 4693.98, 0.0031934/step Wall: 4693.98, 0.0031934/step, 3.12617 hours remaining, 238.402344 MB of memory in use. ENERGY: 1475800 3977.8969 20676.5156 14548.1664 245.5748 -203446.9943 2653.7283 0.0000 0.0000 52065.1848 -109279.9275 299.2193 -161345.1123 -108920.5571 299.7235 -110.9822 -80.0691 761442.3555 0.8702 1.0228 PRESSURE: 1476000 25.022 -269.623 130.466 -269.623 -407.549 -205.193 130.466 -205.193 -297.741 GPRESSURE: 1476000 81.4557 -207.185 144.144 -148.379 -466.536 -186.165 27.2148 -206.526 -234.304 PRESSAVG: 1476000 51.2656 -65.5775 -33.9472 -65.5776 -41.7624 29.5157 -33.9472 29.5157 -0.193602 GPRESSAVG: 1476000 50.5554 -64.411 -31.7473 -66.0761 -42.6184 29.6711 -35.613 29.115 1.28929 TIMING: 1476000 CPU: 4694.61, 0.00318623/step Wall: 4694.61, 0.00318623/step, 3.11896 hours remaining, 238.402344 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: 1476000 3957.6651 20603.0108 14475.5555 253.6950 -203101.6838 2626.9069 0.0000 0.0000 51794.2466 -109390.6039 297.6622 -161184.8505 -109017.8808 298.9969 -226.7562 -206.4617 761958.1478 3.1032 3.0754 PRESSURE: 1476200 269.533 86.0292 4.75532 86.0293 -197.006 -47.3774 4.75565 -47.3786 422.315 GPRESSURE: 1476200 234.113 53.2057 119.66 60.414 -59.5489 -73.1022 -47.7785 79.6057 396.674 PRESSAVG: 1476200 55.2354 -98.4804 8.37577 -98.4804 -76.1002 -18.6482 8.37571 -18.6481 10.3358 GPRESSAVG: 1476200 56.036 -97.1758 9.37483 -98.1749 -75.8211 -20.3723 6.21155 -17.6564 9.31121 TIMING: 1476200 CPU: 4695.25, 0.00316718/step Wall: 4695.25, 0.00316718/step, 3.10014 hours remaining, 238.402344 MB of memory in use. ENERGY: 1476200 3901.0279 20567.3871 14522.3808 239.4210 -203446.0370 2607.5173 0.0000 0.0000 52054.4662 -109553.8366 299.1577 -161608.3028 -109189.1561 298.9055 164.9474 190.4128 760325.8136 -3.5097 -3.4913 LDB: ============= START OF LOAD BALANCING ============== 4707.7 LDB: ============== END OF LOAD BALANCING =============== 4707.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4707.7 LDB: ============= START OF LOAD BALANCING ============== 4708.02 LDB: Largest compute 7032 load 0.036858 is 18.9% of average load 0.195144 LDB: Average compute 0.004431 is 2.3% of average load 0.195144 LDB: TIME 4708.03 LOAD: AVG 0.195144 MAX 0.216804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.859 MB LDB: TIME 4708.03 LOAD: AVG 0.195144 MAX 0.216804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.859 MB LDB: TIME 4708.03 LOAD: AVG 0.195144 MAX 0.216804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.859 MB LDB: ============== END OF LOAD BALANCING =============== 4708.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4708.04 PRESSURE: 1476400 -116.646 110.945 49.9711 110.946 -63.7199 -65.2809 49.9704 -65.2812 233.545 GPRESSURE: 1476400 -62.306 211.335 69.6588 4.52383 -72.0265 -94.0806 -44.5107 -137.206 258.584 PRESSAVG: 1476400 66.3717 -33.2418 43.3545 -33.2418 -54.3472 3.68196 43.3545 3.68195 -18.6905 GPRESSAVG: 1476400 64.9685 -33.5294 43.4543 -35.8737 -53.3749 4.97294 46.274 3.66673 -18.069 TIMING: 1476400 CPU: 4695.9, 0.00326484/step Wall: 4695.9, 0.00326484/step, 3.19555 hours remaining, 237.371094 MB of memory in use. ENERGY: 1476400 3991.8969 20554.9307 14465.8652 246.3329 -203292.7656 2499.0997 0.0000 0.0000 51784.2554 -109750.3848 297.6048 -161534.6402 -109400.3263 298.5196 17.7264 41.4172 760543.6403 -2.2220 -2.1584 PRESSURE: 1476600 287.203 124.724 223.396 124.724 -180.964 10.8598 223.396 10.8605 236.849 GPRESSURE: 1476600 280.667 55.2633 278.479 159.072 -59.7232 -43.6549 312.584 -76.3512 213.129 PRESSAVG: 1476600 41.5959 -63.0428 61.8675 -63.0427 -26.5449 -8.73346 61.8675 -8.73352 2.45083 GPRESSAVG: 1476600 41.9167 -64.2952 61.0544 -62.6142 -27.2439 -8.18672 62.4218 -9.89211 3.06016 TIMING: 1476600 CPU: 4696.54, 0.0031914/step Wall: 4696.54, 0.0031914/step, 3.1235 hours remaining, 237.574219 MB of memory in use. ENERGY: 1476600 3939.5737 20343.2492 14540.1833 239.7156 -203685.4803 2907.1816 0.0000 0.0000 51836.1593 -109879.4177 297.9031 -161715.5770 -109506.6793 297.9325 114.3626 144.6909 760575.7087 5.8339 5.9110 PRESSURE: 1476800 -51.2754 233.492 -117.805 233.491 142.559 -67.1875 -117.804 -67.1877 170.995 GPRESSURE: 1476800 23.1903 182.037 -208.691 285.872 37.0618 5.78751 -158.492 -37.2973 270.403 PRESSAVG: 1476800 60.9554 2.36552 5.70415 2.36554 -66.9005 -45.2844 5.70419 -45.2844 8.18736 GPRESSAVG: 1476800 61.4966 2.17068 6.44675 3.76871 -66.128 -45.8849 5.013 -43.2743 6.8811 TIMING: 1476800 CPU: 4697.17, 0.00317992/step Wall: 4697.17, 0.00317992/step, 3.11208 hours remaining, 237.574219 MB of memory in use. ENERGY: 1476800 3937.5041 20334.6724 14447.6984 245.4601 -203292.2188 2763.1657 0.0000 0.0000 51723.3564 -109840.3616 297.2548 -161563.7180 -109483.7356 298.0239 87.4264 110.2184 761491.2480 0.7474 0.7499 PRESSURE: 1477000 -20.3181 164.961 97.2452 164.96 -113.869 64.5529 97.2457 64.5528 4.25617 GPRESSURE: 1477000 -43.8052 207.242 -16.4853 257.158 -62.7456 15.3816 0.637337 50.0968 63.4422 PRESSAVG: 1477000 -32.0176 -1.40856 1.71351 -1.40864 15.0902 -19.1919 1.71348 -19.1919 21.3873 GPRESSAVG: 1477000 -31.7222 0.17323 -0.683059 -0.211017 13.7179 -19.7854 2.3429 -20.2946 22.5942 TIMING: 1477000 CPU: 4697.81, 0.0032032/step Wall: 4697.81, 0.0032032/step, 3.13468 hours remaining, 237.574219 MB of memory in use. ENERGY: 1477000 3957.5674 20474.9938 14463.9676 239.1213 -203390.7718 2550.3215 0.0000 0.0000 51846.8845 -109857.9157 297.9648 -161704.8002 -109505.9958 297.9676 -43.3105 -14.3695 760931.9487 1.4866 1.5299 PRESSURE: 1477200 17.5907 52.4692 -43.5902 52.4689 1.89665 69.3115 -43.5905 69.3119 -19.6351 GPRESSURE: 1477200 21.7763 51.4129 31.1856 44.8568 78.8211 84.6126 -33.8384 10.9119 -11.1442 PRESSAVG: 1477200 34.3589 -10.6998 4.32306 -10.6998 -17.5342 56.4237 4.32305 56.4237 -0.633122 GPRESSAVG: 1477200 33.8206 -10.3658 6.00919 -11.4915 -17.164 56.7533 3.11424 56.3876 -0.681243 TIMING: 1477200 CPU: 4698.46, 0.0032091/step Wall: 4698.46, 0.0032091/step, 3.14028 hours remaining, 237.574219 MB of memory in use. ENERGY: 1477200 3912.7827 20609.2360 14501.3528 253.8763 -203331.3437 2403.6381 0.0000 0.0000 51693.4828 -109956.9752 297.0832 -161650.4580 -109608.1228 297.9757 -0.0493 29.8177 762723.7666 5.3972 5.3251 PRESSURE: 1477400 -169.053 -224.785 -27.5298 -224.784 -4.07121 -228.521 -27.5302 -228.521 -18.884 GPRESSURE: 1477400 -167.019 -283.365 26.9665 -205.521 132.88 -256.355 -76.8377 -160.819 -56.616 PRESSAVG: 1477400 -21.3497 2.50317 10.3597 2.50318 -14.0918 20.7631 10.3597 20.7631 18.9996 GPRESSAVG: 1477400 -21.0778 1.06616 10.5604 1.16076 -13.8126 20.3398 10.9408 21.364 18.486 TIMING: 1477400 CPU: 4699.1, 0.00319359/step Wall: 4699.1, 0.00319359/step, 3.12493 hours remaining, 237.574219 MB of memory in use. ENERGY: 1477400 4011.3474 20330.7859 14457.2491 246.5795 -203444.4902 2609.2073 0.0000 0.0000 52011.8383 -109777.4826 298.9127 -161789.3209 -109411.8781 298.1499 -64.0028 -30.2515 762206.8853 -5.4806 -5.4681 PRESSURE: 1477600 -35.2747 60.5498 -194.659 60.5491 -96.3626 20.2225 -194.66 20.2226 172.602 GPRESSURE: 1477600 68.2468 136.653 -187.173 -39.5611 -76.6107 -29.1807 -9.49523 -10.3344 144.336 PRESSAVG: 1477600 39.3477 -17.3409 18.1152 -17.3409 19.5026 26.6441 18.1153 26.644 3.72261 GPRESSAVG: 1477600 39.4299 -17.3168 18.664 -17.8428 18.8424 26.7486 18.858 24.4153 4.35561 TIMING: 1477600 CPU: 4699.73, 0.003173/step Wall: 4699.73, 0.003173/step, 3.1046 hours remaining, 237.574219 MB of memory in use. ENERGY: 1477600 3978.2135 20464.0567 14450.6212 236.0211 -203480.7981 2847.1081 0.0000 0.0000 51864.9487 -109639.8288 298.0686 -161504.7775 -109274.3676 298.6379 13.6550 45.3239 762431.4962 20.8577 20.8760 PRESSURE: 1477800 -115.516 -102.492 -23.8633 -102.491 152.766 11.3319 -23.8639 11.3315 86.7235 GPRESSURE: 1477800 -56.1467 -74.3669 22.213 -98.5378 102.082 196.883 40.9064 -24.9188 148.396 PRESSAVG: 1477800 -26.5006 -41.3435 -11.8352 -41.3434 5.67262 -1.81964 -11.8352 -1.81964 -14.6225 GPRESSAVG: 1477800 -26.3518 -40.8833 -11.3642 -40.6616 6.44797 -2.02127 -14.057 0.850422 -15.8201 TIMING: 1477800 CPU: 4700.37, 0.00320736/step Wall: 4700.37, 0.00320736/step, 3.13805 hours remaining, 237.574219 MB of memory in use. ENERGY: 1477800 3931.6349 20568.6581 14501.3542 230.6396 -203544.3953 2717.7569 0.0000 0.0000 52001.7000 -109592.6516 298.8545 -161594.3517 -109229.1880 298.5193 41.3245 64.7773 762900.4242 -11.8168 -11.9079 PRESSURE: 1478000 -303.451 -48.2408 -73.025 -48.2407 -181.6 -229.114 -73.0246 -229.114 -105.652 GPRESSURE: 1478000 -171.436 -88.8654 -35.2064 -105.169 -135.827 -140.301 -77.9338 -242.447 -198.363 PRESSAVG: 1478000 12.6336 -29.964 -8.7168 -29.964 28.897 -22.5372 -8.71678 -22.5373 17.5668 GPRESSAVG: 1478000 12.1117 -30.8682 -9.45633 -28.5349 28.3547 -21.7411 -8.11455 -23.5905 18.033 TIMING: 1478000 CPU: 4701.01, 0.00320229/step Wall: 4701.01, 0.00320229/step, 3.13291 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1478000 3982.5053 20657.9532 14502.1964 222.1182 -203866.1332 2866.1968 0.0000 0.0000 52068.3710 -109566.7923 299.2376 -161635.1632 -109201.0699 298.8920 -196.9011 -168.5419 760114.9396 19.6991 19.4998 PRESSURE: 1478200 -358.248 -20.9383 62.8469 -20.9381 153.606 137.538 62.8469 137.537 20.1606 GPRESSURE: 1478200 -277.401 27.1107 83.9226 42.9887 98.6915 144.413 219.781 104.69 61.9761 PRESSAVG: 1478200 45.5426 -63.0276 6.45963 -63.0277 -15.6592 25.9575 6.45962 25.9576 -14.2149 GPRESSAVG: 1478200 45.6906 -61.6081 7.32202 -63.8561 -15.5064 25.4015 8.95949 27.11 -14.5301 TIMING: 1478200 CPU: 4701.65, 0.00321406/step Wall: 4701.65, 0.00321406/step, 3.14425 hours remaining, 237.574219 MB of memory in use. ENERGY: 1478200 4006.9896 20588.1814 14498.6501 264.4426 -203441.7724 2556.7447 0.0000 0.0000 51950.3366 -109576.4275 298.5593 -161526.7641 -109212.4786 298.9976 -61.4940 -38.9112 761752.6839 5.2228 5.2180 PRESSURE: 1478400 23.2018 -40.9162 -225.54 -40.9167 60.2909 219.824 -225.54 219.824 327.94 GPRESSURE: 1478400 121.382 2.77943 -223.092 -47.5074 55.6265 84.2916 -201.991 139.871 321.527 PRESSAVG: 1478400 58.2953 -64.3128 71.5014 -64.3127 -20.1634 31.029 71.5014 31.0289 -0.997081 GPRESSAVG: 1478400 59.2081 -65.2091 71.1605 -64.9819 -20.4162 32.1234 68.639 29.3071 -1.94604 TIMING: 1478400 CPU: 4702.29, 0.00318171/step Wall: 4702.29, 0.00318171/step, 3.11242 hours remaining, 237.574219 MB of memory in use. ENERGY: 1478400 4028.8916 20497.7025 14480.0272 260.9624 -203813.3900 2862.2747 0.0000 0.0000 52291.3813 -109392.1504 300.5193 -161683.5317 -109024.7076 299.3668 137.1442 166.1787 759297.1500 12.3783 12.2820 PRESSURE: 1478600 -15.7341 124.171 -220.731 124.172 -94.4545 144.58 -220.73 144.58 -203.94 GPRESSURE: 1478600 104.015 163.532 -100.797 70.2315 -106.658 218.514 -101.734 130.228 -208.69 PRESSAVG: 1478600 15.0125 -0.266707 12.6813 -0.266711 -19.2898 2.15244 12.6813 2.15243 -12.8327 GPRESSAVG: 1478600 14.7767 -1.0874 12.6746 1.02439 -19.1759 0.590609 12.7224 2.97594 -12.7919 TIMING: 1478600 CPU: 4702.93, 0.00320373/step Wall: 4702.93, 0.00320373/step, 3.13379 hours remaining, 237.574219 MB of memory in use. ENERGY: 1478600 4016.7751 20478.1055 14389.4588 238.7489 -203272.7732 2556.3262 0.0000 0.0000 51940.2017 -109653.1569 298.5011 -161593.3586 -109290.0327 299.3648 -104.7095 -70.4444 761181.4216 -5.7033 -5.7304 PRESSURE: 1478800 105.281 -131.471 178.412 -131.469 -131.589 -42.5187 178.411 -42.5181 67.8331 GPRESSURE: 1478800 103.925 -149.434 141.636 -16.0754 -63.8919 -63.6009 205.958 -2.20853 98.124 PRESSAVG: 1478800 24.2154 -2.28097 -38.3538 -2.28103 -41.7948 -36.7885 -38.3539 -36.7885 15.4009 GPRESSAVG: 1478800 22.7886 -0.986994 -38.7555 -4.47044 -40.0381 -37.4503 -37.8199 -35.4459 15.6129 TIMING: 1478800 CPU: 4703.57, 0.00319492/step Wall: 4703.57, 0.00319492/step, 3.12499 hours remaining, 237.574219 MB of memory in use. ENERGY: 1478800 3928.9357 20469.0769 14507.1116 250.4381 -203154.9244 2312.0955 0.0000 0.0000 52053.9331 -109633.3336 299.1547 -161687.2667 -109276.4957 298.2791 13.8419 46.0524 759991.8638 -0.7262 -0.5455 PRESSURE: 1479000 -126.625 -45.4178 30.9162 -45.4168 17.1156 67.4579 30.9155 67.4567 -0.531073 GPRESSURE: 1479000 -83.0261 -23.9926 19.072 -46.2616 29.2976 -5.71893 46.0037 86.5378 25.2987 PRESSAVG: 1479000 3.85071 -5.34268 19.474 -5.34263 4.30304 -43.804 19.474 -43.804 5.28999 GPRESSAVG: 1479000 4.31415 -6.79698 20.4932 -5.06061 3.51007 -42.3711 19.1582 -46.3032 5.77864 TIMING: 1479000 CPU: 4704.21, 0.00321578/step Wall: 4704.21, 0.00321578/step, 3.14521 hours remaining, 237.574219 MB of memory in use. ENERGY: 1479000 3862.8325 20518.8568 14496.8256 249.5971 -203259.4766 2378.7984 0.0000 0.0000 51900.3211 -109852.2451 298.2719 -161752.5661 -109495.3074 298.5010 -36.6803 -9.4766 760317.0838 4.4812 4.5343 PRESSURE: 1479200 119.953 -94.876 -56.1523 -94.8757 249.305 117.105 -56.1516 117.105 203.933 GPRESSURE: 1479200 148.803 -57.952 81.2808 -53.0379 333.694 110.044 -74.7815 75.4008 184.595 PRESSAVG: 1479200 4.32827 -56.1685 3.14955 -56.1684 -21.8958 33.0324 3.14959 33.0324 -3.28891 GPRESSAVG: 1479200 4.72332 -54.3161 3.626 -53.1849 -20.9375 35.1201 3.27009 32.7555 -4.02524 TIMING: 1479200 CPU: 4704.85, 0.00319825/step Wall: 4704.85, 0.00319825/step, 3.12789 hours remaining, 237.574219 MB of memory in use. ENERGY: 1479200 4005.5794 20410.0259 14546.4080 239.8677 -203699.7021 2757.8106 0.0000 0.0000 51774.2207 -109965.7898 297.5472 -161740.0105 -109608.9664 298.2332 191.0634 222.3639 760540.8359 -6.9522 -6.7465 PRESSURE: 1479400 -143.462 -113.367 -167.233 -113.367 -61.5456 -167.778 -167.232 -167.779 -233.898 GPRESSURE: 1479400 -65.3048 -49.4444 -228.601 -38.0563 -81.8713 -151.643 -53.6893 -136.358 -204.544 PRESSAVG: 1479400 -55.3019 -21.931 2.4013 -21.9311 70.0645 23.0154 2.40127 23.0154 12.6575 GPRESSAVG: 1479400 -54.5187 -22.596 1.55408 -22.3711 69.6699 21.5125 3.11966 24.4178 12.5102 TIMING: 1479400 CPU: 4705.49, 0.00317629/step Wall: 4705.49, 0.00317629/step, 3.10624 hours remaining, 237.574219 MB of memory in use. ENERGY: 1479400 4030.4010 20315.7377 14511.1509 254.2440 -203907.6819 2886.9855 0.0000 0.0000 51842.9581 -110066.2047 297.9422 -161909.1628 -109713.4895 297.6598 -146.3021 -117.2401 760564.4737 9.1401 9.2205 PRESSURE: 1479600 -310.78 -12.7594 175.159 -12.7598 138.324 207.745 175.158 207.745 -4.76469 GPRESSURE: 1479600 -225.239 -30.4613 207.148 5.58901 87.5929 127.603 257.358 287.962 34.2077 PRESSAVG: 1479600 -50.5399 38.206 24.9654 38.206 40.3099 55.273 24.9654 55.273 -31.2404 GPRESSAVG: 1479600 -51.0487 40.0792 24.9316 35.6132 40.1911 55.078 25.6299 55.7096 -30.6318 TIMING: 1479600 CPU: 4706.12, 0.00315473/step Wall: 4706.12, 0.00315473/step, 3.08498 hours remaining, 237.574219 MB of memory in use. ENERGY: 1479600 4012.6290 20678.0501 14429.7353 222.5928 -203564.7507 2697.5999 0.0000 0.0000 52004.8340 -109519.3095 298.8725 -161524.1435 -109166.7266 298.5177 -59.0736 -34.4795 761157.2992 -13.8235 -13.8298 PRESSURE: 1479800 -160.298 13.2436 95.896 13.243 -123.462 411.367 95.8949 411.366 531.708 GPRESSURE: 1479800 -106.438 13.7351 67.8914 29.2524 -82.1873 301.018 64.3136 383.829 533.354 PRESSAVG: 1479800 -14.3256 -8.68572 23.6351 -8.68574 2.30736 -18.8746 23.6351 -18.8746 39.3167 GPRESSAVG: 1479800 -13.5681 -11.8058 22.7019 -5.62341 1.93401 -18.8579 24.0391 -18.4978 38.74 TIMING: 1479800 CPU: 4706.76, 0.00321075/step Wall: 4706.76, 0.00321074/step, 3.13957 hours remaining, 237.574219 MB of memory in use. ENERGY: 1479800 4017.6074 20492.7872 14514.5639 268.6740 -203651.4495 2712.4946 0.0000 0.0000 52124.0332 -109521.2892 299.5575 -161645.3224 -109155.6813 299.2633 82.6492 114.9097 761544.2415 9.0995 9.0353 PRESSURE: 1480000 37.8946 -184.393 53.7628 -184.394 8.25934 144.201 53.7629 144.202 30.168 GPRESSURE: 1480000 0.368766 -21.0117 12.8999 -140.228 121.97 140.759 41.382 36.8754 63.0895 PRESSAVG: 1480000 41.774 5.18216 16.4741 5.18209 -30.2472 -2.88411 16.4741 -2.88419 -2.92671 GPRESSAVG: 1480000 41.1217 6.59485 16.8952 5.30833 -30.5251 -2.574 14.7725 -3.77372 -2.24935 TIMING: 1480000 CPU: 4707.4, 0.00320017/step Wall: 4707.4, 0.00320017/step, 3.12905 hours remaining, 237.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1480000 4014.9200 20470.1974 14521.3854 247.0911 -203129.0240 2594.4972 0.0000 0.0000 51838.0704 -109442.8625 297.9141 -161280.9329 -109085.4480 298.8510 25.4406 61.8095 762499.7718 2.8667 2.7824 PRESSURE: 1480200 59.0178 -62.6836 -177.891 -62.6829 -257.132 -309.878 -177.891 -309.879 346.87 GPRESSURE: 1480200 64.4513 -57.8295 -73.5144 -182.024 -181.674 -397.476 -123.526 -191.178 364.608 PRESSAVG: 1480200 -1.20483 -34.1859 -2.02151 -34.1859 -5.86956 21.9294 -2.02142 21.9294 -7.94057 GPRESSAVG: 1480200 -1.72338 -33.9661 -1.56488 -35.8856 -5.94468 20.2437 -1.57191 22.2831 -7.36683 TIMING: 1480200 CPU: 4708.04, 0.00318273/step Wall: 4708.04, 0.00318273/step, 3.11182 hours remaining, 237.574219 MB of memory in use. ENERGY: 1480200 3912.9822 20488.8279 14473.2167 230.7259 -203201.0827 2445.3855 0.0000 0.0000 51825.1299 -109824.8146 297.8397 -161649.9445 -109475.5463 298.5499 49.5853 82.4619 759941.0023 -5.0050 -5.0116 LDB: ============= START OF LOAD BALANCING ============== 4720.49 LDB: ============== END OF LOAD BALANCING =============== 4720.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4720.49 LDB: ============= START OF LOAD BALANCING ============== 4720.81 LDB: Largest compute 7059 load 0.037846 is 19.4% of average load 0.195154 LDB: Average compute 0.004411 is 2.3% of average load 0.195154 LDB: TIME 4720.82 LOAD: AVG 0.195154 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.883 MB LDB: TIME 4720.82 LOAD: AVG 0.195154 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: TIME 4720.82 LOAD: AVG 0.195154 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: ============== END OF LOAD BALANCING =============== 4720.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4720.83 PRESSURE: 1480400 -151.484 45.3083 39.3695 45.3079 255.211 40.9471 39.3692 40.9476 323.499 GPRESSURE: 1480400 -107.901 -53.9304 -52.9881 30.4243 315.166 -88.5799 -4.16238 -53.0967 311.71 PRESSAVG: 1480400 46.1285 2.41403 5.53731 2.41404 -53.4691 -52.5152 5.53734 -52.5152 17.901 GPRESSAVG: 1480400 47.0503 1.40023 6.89184 2.29277 -53.662 -51.5265 3.6686 -52.0675 17.4054 TIMING: 1480400 CPU: 4708.69, 0.00325411/step Wall: 4708.69, 0.00325411/step, 3.18144 hours remaining, 237.941406 MB of memory in use. ENERGY: 1480400 3918.9506 20346.6005 14419.4803 247.6335 -203438.7760 2706.6954 0.0000 0.0000 51944.4427 -109854.9729 298.5254 -161799.4156 -109490.8293 298.0487 142.4089 172.9916 760781.8640 3.5201 3.5979 PRESSURE: 1480600 62.0878 240.146 252.889 240.147 314.322 250.952 252.889 250.952 469.795 GPRESSURE: 1480600 134.713 257.444 155.973 208.651 328.826 152.916 204.134 219.252 492.847 PRESSAVG: 1480600 38.7319 -4.82204 -2.36494 -4.82208 -52.986 -44.0727 -2.36498 -44.0727 -19.0253 GPRESSAVG: 1480600 39.2815 -6.04147 -4.83064 -2.3965 -53.1044 -44.5471 -1.43714 -45.7882 -19.2177 TIMING: 1480600 CPU: 4709.33, 0.00319703/step Wall: 4709.33, 0.00319703/step, 3.12545 hours remaining, 238.144531 MB of memory in use. ENERGY: 1480600 3861.7828 20407.8543 14423.2087 248.4154 -203327.7634 2837.1586 0.0000 0.0000 51979.7643 -109569.5793 298.7284 -161549.3437 -109212.3221 298.3202 282.0682 318.7954 759714.7795 -11.0931 -11.0135 PRESSURE: 1480800 -285.953 147.587 -132.129 147.587 -15.0035 -164.971 -132.129 -164.97 -8.70432 GPRESSURE: 1480800 -218.067 255.721 -94.1569 118.717 70.8716 -149.554 -125.548 -44.9502 -65.368 PRESSAVG: 1480800 49.5068 -22.9249 3.56728 -22.9249 -19.2159 26.734 3.56726 26.734 15.6525 GPRESSAVG: 1480800 48.6658 -23.4908 4.52795 -23.8416 -18.6673 25.9031 2.103 27.5517 16.1589 TIMING: 1480800 CPU: 4709.97, 0.00321889/step Wall: 4709.97, 0.00321889/step, 3.14665 hours remaining, 238.144531 MB of memory in use. ENERGY: 1480800 4019.5162 20513.8905 14514.7040 259.7845 -203194.4949 2393.2617 0.0000 0.0000 51944.8462 -109548.4917 298.5277 -161493.3379 -109197.1822 298.8994 -103.2202 -70.8543 761195.7536 15.3145 15.3858 PRESSURE: 1481000 230.613 -12.9455 135.921 -12.9436 196.319 13.0027 135.92 13.002 -267.028 GPRESSURE: 1481000 320.357 -6.62081 132.547 68.8054 173.357 43.9139 113.459 63.3326 -235.855 PRESSAVG: 1481000 0.0388356 -9.65556 34.6474 -9.65557 -25.5878 27.0399 34.6474 27.0399 -12.3206 GPRESSAVG: 1481000 0.32675 -8.43181 34.9909 -10.8224 -25.7115 27.5363 36.1366 28.6098 -12.1082 TIMING: 1481000 CPU: 4710.62, 0.00323035/step Wall: 4710.62, 0.00323035/step, 3.15767 hours remaining, 238.144531 MB of memory in use. ENERGY: 1481000 4004.9069 20473.2902 14438.3619 216.1094 -203591.9165 2853.8158 0.0000 0.0000 52133.2761 -109472.1563 299.6107 -161605.4323 -109105.3833 298.6293 53.3012 85.9533 760364.7895 -12.6232 -12.4977 PRESSURE: 1481200 175.975 -96.902 -151.489 -96.9037 37.8242 229.041 -151.488 229.04 -73.8336 GPRESSURE: 1481200 88.2642 -87.1515 -153.357 -98.4925 180.499 210.586 -85.8993 157.04 -34.9898 PRESSAVG: 1481200 11.0566 -48.8906 22.5541 -48.8906 21.3919 7.76144 22.5541 7.76147 -4.10768 GPRESSAVG: 1481200 10.8607 -48.1851 23.0223 -47.9759 22.0272 6.80049 21.2818 6.03534 -4.51192 TIMING: 1481200 CPU: 4711.26, 0.00318966/step Wall: 4711.26, 0.00318966/step, 3.11772 hours remaining, 238.144531 MB of memory in use. ENERGY: 1481200 3965.3793 20328.7365 14523.2129 265.1302 -203247.7196 2677.8984 0.0000 0.0000 52098.1041 -109389.2583 299.4085 -161487.3624 -109019.6233 299.3076 46.6551 77.9244 762466.0352 9.4469 9.4586 PRESSURE: 1481400 -92.968 -161.474 119.025 -161.475 35.6446 -136.879 119.026 -136.879 82.3152 GPRESSURE: 1481400 -59.6479 -88.8833 144.779 -168.82 49.1199 -91.3734 135.045 -229.168 140.932 PRESSAVG: 1481400 38.4947 -87.0059 -15.5012 -87.006 -32.9102 23.1057 -15.5013 23.1057 -10.0995 GPRESSAVG: 1481400 36.9137 -85.5415 -14.8254 -87.9375 -32.037 22.0054 -14.7967 24.8759 -9.18079 TIMING: 1481400 CPU: 4711.89, 0.00316211/step Wall: 4711.89, 0.00316211/step, 3.09061 hours remaining, 238.144531 MB of memory in use. ENERGY: 1481400 3974.7985 20636.1538 14486.3005 242.6285 -203177.6078 2667.6207 0.0000 0.0000 51828.2001 -109341.9056 297.8574 -161170.1057 -108994.2095 299.2179 8.3306 43.4679 761587.1507 -1.5050 -1.4347 PRESSURE: 1481600 67.1948 -230.74 62.3799 -230.74 -18.5301 -79.7432 62.3809 -79.7434 280.749 GPRESSURE: 1481600 102.982 -271.751 112.57 -96.9727 -28.4178 -33.8023 -14.3165 -34.725 328.071 PRESSAVG: 1481600 10.4042 -65.1901 -18.2553 -65.19 -32.4861 26.4194 -18.2553 26.4194 0.4138 GPRESSAVG: 1481600 12.0004 -66.1671 -19.9333 -64.9804 -34.3978 27.3765 -18.6419 25.2516 0.346684 TIMING: 1481600 CPU: 4712.52, 0.00317724/step Wall: 4712.52, 0.00317724/step, 3.10522 hours remaining, 238.144531 MB of memory in use. ENERGY: 1481600 3933.3776 20551.4805 14442.7452 243.2925 -203559.1125 2804.3180 0.0000 0.0000 52192.8199 -109391.0788 299.9529 -161583.8988 -109029.6005 299.0250 109.8046 134.2117 761502.7771 -7.2227 -7.3502 PRESSURE: 1481800 268.03 53.7175 -138.835 53.7177 83.8085 -146.117 -138.836 -146.118 69.5038 GPRESSURE: 1481800 264.185 19.7288 -69.9613 132.476 166.184 -139.853 -32.4786 -79.356 92.7043 PRESSAVG: 1481800 33.0799 -11.6909 1.07948 -11.6909 -63.5802 23.1493 1.07942 23.1493 16.9075 GPRESSAVG: 1481800 32.6761 -11.5891 3.12965 -11.3292 -62.6326 23.8066 0.190807 23.1101 16.5075 TIMING: 1481800 CPU: 4713.16, 0.00317938/step Wall: 4713.16, 0.00317938/step, 3.10714 hours remaining, 238.144531 MB of memory in use. ENERGY: 1481800 4000.1586 20453.7436 14584.4542 231.5749 -203308.4008 2439.0278 0.0000 0.0000 52134.8657 -109464.5760 299.6198 -161599.4417 -109098.9851 299.3228 140.4474 174.3577 761209.6798 -4.5309 -4.4830 PRESSURE: 1482000 248.722 -89.5509 -130.029 -89.5499 -182.191 -121.459 -130.03 -121.459 189.794 GPRESSURE: 1482000 174.285 -77.6936 -157.157 -88.5294 -78.5492 -121.222 -206.253 -26.4375 248.008 PRESSAVG: 1482000 -35.257 -35.6434 -21.2701 -35.6434 22.4967 -36.5172 -21.2701 -36.5172 24.1418 GPRESSAVG: 1482000 -34.8615 -34.4409 -22.5552 -36.0366 21.871 -36.264 -18.6434 -35.0823 24.4627 TIMING: 1482000 CPU: 4713.8, 0.00321473/step Wall: 4713.8, 0.00321473/step, 3.14151 hours remaining, 238.144531 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: 1482000 3883.8763 20554.0134 14605.7777 266.5387 -203679.6782 2814.1381 0.0000 0.0000 51929.0055 -109626.3286 298.4367 -161555.3341 -109272.3558 298.4188 85.4417 114.5815 759853.4738 3.7938 3.8241 PRESSURE: 1482200 125.833 -11.8272 99.3481 -11.8276 -80.5968 -191.863 99.3473 -191.862 -21.0816 GPRESSURE: 1482200 84.1764 -53.6986 53.7469 -114.173 -52.0492 -250.933 224.473 -249.55 81.8451 PRESSAVG: 1482200 34.1846 -79.1877 23.901 -79.1878 -61.1357 12.6574 23.901 12.6574 24.7021 GPRESSAVG: 1482200 34.2183 -79.2637 23.1757 -79.1698 -61.234 12.4966 24.4109 10.4749 24.473 TIMING: 1482200 CPU: 4714.44, 0.00318698/step Wall: 4714.44, 0.00318698/step, 3.11421 hours remaining, 238.144531 MB of memory in use. ENERGY: 1482200 4005.8631 20410.9219 14567.5877 251.4298 -203584.0529 2841.7550 0.0000 0.0000 52017.0251 -109489.4704 298.9426 -161506.4955 -109129.5476 298.6655 8.0514 37.9908 760649.7775 -0.7496 -0.8476 PRESSURE: 1482400 188.264 -190.933 142.843 -190.934 -22.7777 -223.821 142.844 -223.821 517.191 GPRESSURE: 1482400 172.672 -154.729 148.623 -191.43 140.366 -281.686 128.328 -218.017 456.633 PRESSAVG: 1482400 63.1493 -58.5067 34.0989 -58.5067 -41.305 -19.2897 34.0989 -19.2897 -11.6171 GPRESSAVG: 1482400 63.4589 -60.126 34.1315 -57.9577 -41.144 -18.979 32.5938 -20.6722 -12.1222 TIMING: 1482400 CPU: 4715.08, 0.00319219/step Wall: 4715.08, 0.00319219/step, 3.11912 hours remaining, 238.144531 MB of memory in use. ENERGY: 1482400 3949.0157 20562.7805 14571.5610 242.1447 -203817.0300 2852.9493 0.0000 0.0000 52085.9417 -109552.6371 299.3386 -161638.5789 -109197.1350 298.4910 227.5592 256.5570 759500.2269 3.4091 3.3975 PRESSURE: 1482600 281.318 -21.058 -26.4007 -21.0574 16.4849 25.2554 -26.4006 25.2553 -401.626 GPRESSURE: 1482600 273.484 61.2283 44.9107 -38.9212 1.11751 24.0794 -41.3051 37.2009 -314.094 PRESSAVG: 1482600 0.183195 8.10389 -3.37091 8.10391 31.4541 -37.4648 -3.37094 -37.4647 -17.0907 GPRESSAVG: 1482600 -1.76221 10.0432 -2.14843 6.62549 32.297 -36.1948 -2.02143 -34.4474 -16.5379 TIMING: 1482600 CPU: 4715.72, 0.00319137/step Wall: 4715.72, 0.00319137/step, 3.11815 hours remaining, 238.144531 MB of memory in use. ENERGY: 1482600 3988.8345 20576.7948 14520.1508 253.9297 -203280.6520 2462.5080 0.0000 0.0000 51980.9852 -109497.4491 298.7354 -161478.4343 -109136.8221 299.3158 -34.6076 -13.1642 760360.8790 4.8489 4.6656 PRESSURE: 1482800 2.63354 121.946 -76.621 121.946 -247.839 13.6182 -76.6205 13.62 -327.19 GPRESSURE: 1482800 -59.547 188.674 -187.487 174.979 -158.637 30.4358 -106.795 -27.7744 -262.863 PRESSAVG: 1482800 20.9928 12.026 1.53752 12.026 23.1354 -15.5231 1.53747 -15.5231 -13.1683 GPRESSAVG: 1482800 21.3813 11.2109 0.414272 13.9637 22.5001 -16.5201 2.41605 -17.7055 -12.9518 TIMING: 1482800 CPU: 4716.36, 0.00319531/step Wall: 4716.36, 0.00319531/step, 3.12182 hours remaining, 238.144531 MB of memory in use. ENERGY: 1482800 4067.4502 20534.9510 14550.5396 234.5952 -203520.7832 2511.8177 0.0000 0.0000 52240.6074 -109380.8220 300.2275 -161621.4294 -109018.8687 299.5000 -190.7984 -160.3490 761333.9304 10.3200 10.3099 PRESSURE: 1483000 -68.1379 127.087 -113.744 127.086 -209.283 -130.749 -113.744 -130.748 71.7497 GPRESSURE: 1483000 2.59531 147.977 -99.0788 59.5848 -179.599 -192.157 -75.6744 -129.862 50.8217 PRESSAVG: 1483000 0.246836 -0.868012 40.2235 -0.868053 21.7882 7.03903 40.2235 7.03905 -10.7558 GPRESSAVG: 1483000 0.314424 0.996883 41.3951 -0.61281 22.6047 6.39572 39.096 8.05259 -12.2765 TIMING: 1483000 CPU: 4716.99, 0.00317878/step Wall: 4716.99, 0.00317878/step, 3.10549 hours remaining, 238.144531 MB of memory in use. ENERGY: 1483000 4064.3327 20513.0028 14444.5609 231.6951 -203345.7291 2403.2055 0.0000 0.0000 52042.9501 -109645.9819 299.0915 -161688.9321 -109271.9652 299.4336 -68.5572 -42.0608 760203.0612 3.7598 3.5475 PRESSURE: 1483200 80.8782 -176.405 125.201 -176.406 -22.4716 -61.3332 125.201 -61.3327 -252.169 GPRESSURE: 1483200 186.944 -145.134 151.457 -92.4469 -66.0722 -131.649 107.457 -12.6214 -212.555 PRESSAVG: 1483200 -27.8589 -8.9723 13.2622 -8.97228 9.37069 22.804 13.2622 22.804 43.5583 GPRESSAVG: 1483200 -26.8814 -9.68123 12.4806 -11.4123 9.01738 23.7132 14.2194 23.7742 43.4205 TIMING: 1483200 CPU: 4717.63, 0.00316603/step Wall: 4717.63, 0.00316603/step, 3.09286 hours remaining, 238.144531 MB of memory in use. ENERGY: 1483200 4050.5083 20452.1165 14470.9951 230.7504 -203311.3264 2427.1357 0.0000 0.0000 52022.4825 -109657.3378 298.9739 -161679.8203 -109287.5159 298.8836 -64.5873 -30.5611 761214.7312 8.3567 8.5188 PRESSURE: 1483400 -424.849 -278.476 -132.476 -278.476 76.0054 405.981 -132.476 405.982 -61.9483 GPRESSURE: 1483400 -371.407 -266.619 -77.8417 -161.62 110.05 466.793 -108.143 269.737 -65.2302 PRESSAVG: 1483400 10.0116 8.03835 -1.11186 8.0384 22.1196 19.0542 -1.11182 19.0541 3.64434 GPRESSAVG: 1483400 9.72462 5.14256 0.647295 11.4324 21.3161 18.3181 -3.07298 17.7395 4.90646 TIMING: 1483400 CPU: 4718.26, 0.00316937/step Wall: 4718.26, 0.00316937/step, 3.09595 hours remaining, 238.144531 MB of memory in use. ENERGY: 1483400 3965.7957 20569.3858 14579.3296 258.2383 -203549.9160 2657.8581 0.0000 0.0000 51877.9487 -109641.3597 298.1433 -161519.3084 -109277.9421 298.9450 -136.9306 -108.8624 761976.1931 11.9252 11.9824 PRESSURE: 1483600 155.555 94.807 225.399 94.8078 -45.7628 27.5089 225.398 27.5096 119.103 GPRESSURE: 1483600 61.5494 108.485 234.369 -9.59194 135.98 64.4324 249.83 118.248 124.18 PRESSAVG: 1483600 30.042 -44.5402 36.8939 -44.5403 -32.0094 -40.4674 36.8939 -40.4673 -13.9509 GPRESSAVG: 1483600 29.7768 -43.9319 36.3022 -46.3761 -31.2105 -40.2614 38.6817 -39.0736 -14.595 TIMING: 1483600 CPU: 4718.9, 0.00322392/step Wall: 4718.9, 0.00322392/step, 3.14905 hours remaining, 238.144531 MB of memory in use. ENERGY: 1483600 3916.7572 20559.1530 14529.4479 250.0674 -203772.2056 2805.9185 0.0000 0.0000 52138.3371 -109572.5246 299.6397 -161710.8617 -109205.4590 298.9045 76.2987 107.2366 761140.5684 -5.3061 -5.3429 PRESSURE: 1483800 -205.444 57.8299 207.24 57.8298 -152.848 -172.655 207.241 -172.656 -335.321 GPRESSURE: 1483800 -111.757 -16.0866 79.2229 65.9702 -87.3846 -187.988 157.056 -240.659 -396.794 PRESSAVG: 1483800 24.3989 -17.1278 -12.9422 -17.1278 -31.9469 14.4366 -12.9421 14.4366 -9.50822 GPRESSAVG: 1483800 24.3794 -17.7054 -12.0637 -16.2166 -31.9695 13.5684 -15.3233 15.117 -8.87977 TIMING: 1483800 CPU: 4719.54, 0.00319604/step Wall: 4719.54, 0.00319604/step, 3.12164 hours remaining, 238.144531 MB of memory in use. ENERGY: 1483800 4021.2861 20650.6355 14479.5291 258.2294 -203399.6549 2632.3087 0.0000 0.0000 51814.8835 -109542.7826 297.7808 -161357.6661 -109183.0785 298.2755 -231.2045 -198.6455 761331.6522 -5.6854 -5.4899 PRESSURE: 1484000 129.097 -2.54856 -125.259 -2.54872 -267.987 -92.4256 -125.259 -92.4245 -292.126 GPRESSURE: 1484000 91.5932 -57.2232 -122.752 -109.75 -125.598 -13.7342 -132.047 -5.48316 -294.077 PRESSAVG: 1484000 89.1347 26.3138 -30.9792 26.3139 -71.0819 -14.9516 -30.9792 -14.9515 4.73888 GPRESSAVG: 1484000 89.2725 27.5356 -32.8401 22.1574 -70.7571 -12.2085 -31.7875 -16.8078 4.19041 TIMING: 1484000 CPU: 4720.18, 0.00317615/step Wall: 4720.18, 0.00317615/step, 3.10204 hours remaining, 238.144531 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: 1484000 4062.6248 20472.6822 14465.1926 261.0456 -203842.5375 2715.8785 0.0000 0.0000 52420.8313 -109444.2826 301.2632 -161865.1139 -109076.2235 299.3420 -143.6722 -109.3605 761990.0437 7.5973 7.5686 PRESSURE: 1484200 222.411 72.7295 -202.761 72.7291 -66.7429 41.3936 -202.76 41.3939 245.42 GPRESSURE: 1484200 205.504 -22.0843 -248.426 -5.78238 -3.29567 85.8086 -189.94 62.9364 277.853 PRESSAVG: 1484200 7.61782 -6.27012 2.09945 -6.27013 -45.1914 -22.7099 2.09948 -22.7099 21.1302 GPRESSAVG: 1484200 7.58287 -7.98169 4.58682 -2.85593 -44.9955 -24.6941 4.07151 -21.9653 21.514 TIMING: 1484200 CPU: 4720.82, 0.00320765/step Wall: 4720.82, 0.00320765/step, 3.13263 hours remaining, 238.144531 MB of memory in use. ENERGY: 1484200 4070.9537 20513.2615 14429.9926 267.2834 -203431.4103 2803.5613 0.0000 0.0000 51862.0297 -109484.3281 298.0518 -161346.3578 -109121.2702 299.1721 133.6960 160.0204 761981.2778 -5.4811 -5.2996 LDB: ============= START OF LOAD BALANCING ============== 4733.28 LDB: ============== END OF LOAD BALANCING =============== 4733.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4733.28 LDB: ============= START OF LOAD BALANCING ============== 4733.6 LDB: Largest compute 7059 load 0.040019 is 20.5% of average load 0.195150 LDB: Average compute 0.004449 is 2.3% of average load 0.195150 LDB: TIME 4733.61 LOAD: AVG 0.19515 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 4733.61 LOAD: AVG 0.19515 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.215 MB LDB: TIME 4733.61 LOAD: AVG 0.19515 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.215 MB LDB: ============== END OF LOAD BALANCING =============== 4733.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4733.61 PRESSURE: 1484400 123.214 -36.1269 -8.5655 -36.1275 -116.863 -32.5114 -8.56625 -32.5114 109.967 GPRESSURE: 1484400 97.1938 -106.557 -38.1243 -60.447 -23.0405 -53.9547 -70.3919 20.1627 146.617 PRESSAVG: 1484400 41.5998 -28.6175 -4.94263 -28.6175 -47.2 2.90842 -4.94269 2.90838 -26.5904 GPRESSAVG: 1484400 41.0588 -27.5413 -6.87711 -28.9365 -47.7068 1.99091 -6.28893 3.73173 -25.3305 TIMING: 1484400 CPU: 4721.48, 0.00329096/step Wall: 4721.48, 0.00329096/step, 3.21381 hours remaining, 236.976562 MB of memory in use. ENERGY: 1484400 3997.6623 20514.6303 14549.8534 244.7148 -203733.7006 2898.0505 0.0000 0.0000 52101.4441 -109427.3452 299.4277 -161528.7893 -109068.2200 299.5151 38.7726 73.5900 761990.6083 -10.7302 -10.6595 PRESSURE: 1484600 -230.002 237.884 51.0487 237.884 327.868 -104.948 51.0491 -104.948 -118.488 GPRESSURE: 1484600 -130.78 299.385 61.1122 119.886 309.354 -108.1 117.28 23.9675 -106.515 PRESSAVG: 1484600 8.58214 -23.5018 -5.82061 -23.5019 21.935 23.8564 -5.82061 23.8563 25.8433 GPRESSAVG: 1484600 10.2541 -22.7604 -5.41903 -22.1083 22.7042 24.0582 -4.60641 23.0078 24.069 TIMING: 1484600 CPU: 4722.12, 0.00321416/step Wall: 4722.12, 0.00321416/step, 3.13863 hours remaining, 236.976562 MB of memory in use. ENERGY: 1484600 3967.3706 20664.8666 14512.7243 251.1158 -203787.5713 2909.3382 0.0000 0.0000 51951.1307 -109531.0252 298.5639 -161482.1558 -109179.5423 299.1135 -6.8740 24.0195 760424.7538 18.7868 19.0091 PRESSURE: 1484800 -141.155 -80.6253 11.6855 -80.626 49.0429 90.3179 11.6862 90.3189 88.3462 GPRESSURE: 1484800 -42.2214 -22.376 44.7757 -263.798 107.336 73.9258 50.9946 117.34 15.2146 PRESSAVG: 1484800 0.203236 -17.62 -51.6401 -17.62 39.7317 6.74094 -51.64 6.74094 -12.2683 GPRESSAVG: 1484800 0.304257 -18.5946 -52.9091 -19.2337 40.0585 7.24731 -51.7875 7.1121 -12.6869 TIMING: 1484800 CPU: 4722.76, 0.00321326/step Wall: 4722.76, 0.00321326/step, 3.13757 hours remaining, 236.976562 MB of memory in use. ENERGY: 1484800 3959.6557 20538.8199 14521.5954 267.5057 -203624.6877 2839.8118 0.0000 0.0000 52124.9637 -109372.3356 299.5629 -161497.2993 -109007.1341 299.2004 -1.2554 26.7763 759516.9018 9.2222 9.2253 PRESSURE: 1485000 201.185 0.344325 138.673 0.343411 352.048 -58.5455 138.673 -58.5458 -52.6378 GPRESSURE: 1485000 327.031 -3.27367 114.052 -28.0143 276.001 -0.794212 92.6555 -53.3085 -37.4315 PRESSAVG: 1485000 -12.5052 -58.1297 -18.6193 -58.1297 20.6573 -14.3828 -18.6193 -14.3829 32.4106 GPRESSAVG: 1485000 -12.1318 -59.575 -17.6417 -57.6969 19.6781 -14.1126 -19.5087 -14.7519 33.1212 TIMING: 1485000 CPU: 4723.4, 0.00319295/step Wall: 4723.4, 0.00319295/step, 3.11756 hours remaining, 236.976562 MB of memory in use. ENERGY: 1485000 3944.1403 20608.5981 14506.5050 251.0834 -203511.2206 2798.4831 0.0000 0.0000 52119.7438 -109282.6669 299.5329 -161402.4107 -108915.9936 299.5251 166.8652 188.5336 760876.4659 13.5209 13.5558 PRESSURE: 1485200 127.964 50.843 -155.449 50.843 -185.579 168.054 -155.449 168.053 -277.077 GPRESSURE: 1485200 206.971 57.621 -154.148 -43.3651 -185.41 167.847 -89.9598 191.693 -252.469 PRESSAVG: 1485200 11.2379 -29.5285 -69.2267 -29.5285 -22.5487 28.2477 -69.2266 28.2476 -1.63605 GPRESSAVG: 1485200 11.0905 -27.9557 -68.3452 -30.5623 -21.8484 27.3962 -67.1777 28.0538 -1.89414 TIMING: 1485200 CPU: 4724.04, 0.0031839/step Wall: 4724.04, 0.0031839/step, 3.10855 hours remaining, 236.976562 MB of memory in use. ENERGY: 1485200 4006.6671 20489.9930 14541.8484 254.4987 -203295.8463 2603.3974 0.0000 0.0000 52012.0415 -109387.4002 298.9139 -161399.4417 -109030.4150 299.5555 -111.5641 -76.9693 761372.0087 -4.3156 -4.2173 PRESSURE: 1485400 -83.9953 92.1829 -168.693 92.1827 316.362 -55.8437 -168.693 -55.8443 163.095 GPRESSURE: 1485400 -105.038 155.83 -155.806 -2.00001 302.897 8.67975 -112.395 -41.2815 272.333 PRESSAVG: 1485400 -24.4362 15.3899 -16.553 15.3899 21.8123 25.833 -16.553 25.833 -9.11909 GPRESSAVG: 1485400 -25.4225 16.7333 -16.9645 13.9918 20.8726 28.2234 -17.5247 25.0443 -7.94846 TIMING: 1485400 CPU: 4724.67, 0.00317379/step Wall: 4724.67, 0.00317379/step, 3.0985 hours remaining, 236.976562 MB of memory in use. ENERGY: 1485400 3960.6947 20700.5356 14453.6390 245.2731 -203157.1132 2660.0538 0.0000 0.0000 51929.2586 -109207.6585 298.4382 -161136.9172 -108847.6782 299.2622 131.8204 156.7308 763012.9598 -3.9143 -4.1661 PRESSURE: 1485600 -92.8038 -21.7571 50.951 -21.7568 -319.987 187.339 50.9506 187.338 -397.56 GPRESSURE: 1485600 -107.301 -46.2013 54.0436 -55.2291 -270.991 136.359 21.6538 183.072 -351.315 PRESSAVG: 1485600 10.788 -26.7176 38.891 -26.7176 -5.74634 22.4563 38.891 22.4563 16.8268 GPRESSAVG: 1485600 11.3357 -28.6143 39.0565 -25.8848 -5.74531 19.6999 37.1572 24.1423 15.9139 TIMING: 1485600 CPU: 4725.31, 0.00318902/step Wall: 4725.31, 0.00318902/step, 3.1132 hours remaining, 236.976562 MB of memory in use. ENERGY: 1485600 3988.0796 20506.3410 14529.9654 242.2915 -202859.6068 2223.8646 0.0000 0.0000 52299.4007 -109069.6641 300.5654 -161369.0648 -108715.7668 299.5904 -270.1170 -243.2024 761678.0053 7.2895 7.1681 PRESSURE: 1485800 10.8814 168.431 -62.0087 168.43 218.849 -82.321 -62.0082 -82.3215 290.527 GPRESSURE: 1485800 77.9254 127.636 -77.172 116.558 270.258 -71.4498 -109.986 -63.9028 255.245 PRESSAVG: 1485800 36.2629 -3.23261 -22.6205 -3.23256 -20.0137 -12.7657 -22.6206 -12.7657 3.35892 GPRESSAVG: 1485800 34.5014 -3.76185 -22.4938 -1.82261 -18.9488 -12.1802 -20.6639 -12.9549 4.28724 TIMING: 1485800 CPU: 4725.96, 0.00322/step Wall: 4725.96, 0.00322/step, 3.14325 hours remaining, 236.976562 MB of memory in use. ENERGY: 1485800 3989.7680 20340.7906 14521.1201 251.7799 -203287.9298 2549.8824 0.0000 0.0000 52434.9237 -109199.6651 301.3442 -161634.5887 -108829.4239 299.5036 173.4189 201.1427 760723.1426 6.5360 6.6133 PRESSURE: 1486000 -532.501 41.4948 146.404 41.494 -214.574 37.1265 146.405 37.1253 -375.151 GPRESSURE: 1486000 -481.43 16.4249 213.215 126.317 -198.973 32.5621 36.1174 -38.9949 -355.346 PRESSAVG: 1486000 34.3492 -21.2238 -29.4035 -21.2238 -32.9411 -1.58474 -29.4034 -1.58471 14.659 GPRESSAVG: 1486000 37.0411 -20.3716 -31.5675 -19.5588 -34.674 -2.01953 -30.375 -2.85631 13.1648 TIMING: 1486000 CPU: 4726.6, 0.00322714/step Wall: 4726.6, 0.00322714/step, 3.15004 hours remaining, 236.976562 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: 1486000 4009.3813 20650.4043 14513.8177 235.1296 -203495.9707 2623.4765 0.0000 0.0000 52052.1907 -109411.5706 299.1447 -161463.7613 -109048.4046 299.6632 -374.0754 -345.2496 763164.1826 5.3557 5.1773 PRESSURE: 1486200 133.16 -186.946 157.277 -186.947 318.854 242.539 157.277 242.539 176.254 GPRESSURE: 1486200 83.1188 -260.143 147.591 -62.2463 402.567 147.923 205.8 242.305 215.392 PRESSAVG: 1486200 30.5905 -30.6811 28.4576 -30.6811 -50.649 -38.1817 28.4576 -38.1816 -0.105239 GPRESSAVG: 1486200 28.1041 -29.7592 29.5223 -33.4869 -49.0714 -37.5456 28.3195 -37.9184 0.356926 TIMING: 1486200 CPU: 4727.24, 0.00319464/step Wall: 4727.24, 0.00319464/step, 3.11815 hours remaining, 236.976562 MB of memory in use. ENERGY: 1486200 4004.0444 20522.4324 14456.9671 267.8351 -203450.8473 2808.6602 0.0000 0.0000 52049.6424 -109341.2657 299.1300 -161390.9081 -108986.6638 299.4810 209.4225 233.6925 762472.3349 -6.7212 -6.8701 PRESSURE: 1486400 -7.83544 23.1536 119.881 23.154 -124.706 -164.976 119.882 -164.977 -68.2855 GPRESSURE: 1486400 10.0148 138.989 90.5498 -47.3436 -88.3274 -184.888 49.1118 -100.444 -49.5828 PRESSAVG: 1486400 -18.4361 -4.22392 -25.7402 -4.22392 65.302 -43.5534 -25.7402 -43.5534 3.86972 GPRESSAVG: 1486400 -17.465 -4.76348 -25.1292 -3.47434 63.9447 -43.8034 -25.2828 -42.9463 4.62137 TIMING: 1486400 CPU: 4727.88, 0.00318639/step Wall: 4727.88, 0.00318639/step, 3.10992 hours remaining, 236.976562 MB of memory in use. ENERGY: 1486400 3983.2571 20721.2643 14511.5250 247.3442 -202996.3084 2387.5531 0.0000 0.0000 51841.4079 -109303.9568 297.9333 -161145.3647 -108939.1320 299.3746 -66.9424 -42.6318 761529.7229 16.9119 17.0337 PRESSURE: 1486600 -206.649 127.583 -212.48 127.583 -244.147 -142.313 -212.479 -142.313 42.7558 GPRESSURE: 1486600 -136.52 86.0935 -175.609 99.3481 -220.413 -136.5 -318.566 -162.15 23.532 PRESSAVG: 1486600 -34.5648 13.7187 -55.0532 13.7187 14.9058 -28.0838 -55.0532 -28.0838 -9.60184 GPRESSAVG: 1486600 -34.4196 13.8009 -55.8029 15.3217 15.7799 -26.4156 -56.2936 -29.3542 -10.6036 TIMING: 1486600 CPU: 4728.52, 0.00319443/step Wall: 4728.52, 0.00319443/step, 3.11759 hours remaining, 236.976562 MB of memory in use. ENERGY: 1486600 3891.6764 20696.6939 14492.4835 250.2822 -203289.5666 2651.2680 0.0000 0.0000 52084.2193 -109222.9432 299.3287 -161307.1625 -108856.1861 299.6452 -136.0135 -111.1338 761198.9756 -9.7536 -9.7478 PRESSURE: 1486800 124.135 -48.568 59.7787 -48.5666 -232.862 178.64 59.7782 178.641 -551.576 GPRESSURE: 1486800 91.0299 -9.61432 -12.5553 28.8566 -137.743 183.671 85.6967 220.874 -537.726 PRESSAVG: 1486800 9.93517 4.97402 -56.4849 4.97403 -0.45325 -39.7387 -56.4849 -39.7386 0.52731 GPRESSAVG: 1486800 9.84386 4.09426 -56.9403 3.29933 -0.378659 -40.933 -58.3454 -39.5089 0.627272 TIMING: 1486800 CPU: 4729.16, 0.00319513/step Wall: 4729.16, 0.00319513/step, 3.1181 hours remaining, 236.976562 MB of memory in use. ENERGY: 1486800 4024.6586 20509.6012 14520.2639 256.9934 -203296.9162 2480.6773 0.0000 0.0000 52197.1824 -109307.5394 299.9779 -161504.7218 -108950.1658 300.0418 -220.1013 -194.8131 762822.2624 3.3364 3.3642 PRESSURE: 1487000 177.377 -98.5411 -12.3158 -98.5412 217.366 -248.079 -12.3155 -248.078 182.511 GPRESSURE: 1487000 199.365 -114.44 -23.5449 -62.9048 239.032 -239.979 17.136 -221.397 216.249 PRESSAVG: 1487000 29.49 3.83822 -1.77625 3.8382 8.2588 -38.4499 -1.77623 -38.45 -18.41 GPRESSAVG: 1487000 29.6271 5.76391 -0.923164 4.34043 7.9272 -38.0948 2.22186 -37.5016 -17.7613 TIMING: 1487000 CPU: 4729.8, 0.00320336/step Wall: 4729.8, 0.00320336/step, 3.12595 hours remaining, 236.976562 MB of memory in use. ENERGY: 1487000 3978.1642 20516.3820 14449.6524 240.8083 -203543.2566 2645.2805 0.0000 0.0000 52500.3145 -109212.6547 301.7200 -161712.9692 -108844.5178 299.8157 192.4180 218.2150 759207.1589 6.4462 6.5977 PRESSURE: 1487200 -2.56991 203.499 39.6217 203.499 -323.594 -258.934 39.6218 -258.934 -126.975 GPRESSURE: 1487200 10.5913 105.106 70.0791 78.0976 -239.206 -291.121 -10.8282 -202.589 -120.848 PRESSAVG: 1487200 -13.2866 30.0834 6.43316 30.0834 7.75512 4.34406 6.4332 4.34412 -5.72216 GPRESSAVG: 1487200 -11.3843 29.3159 7.033 30.2664 6.73689 3.10176 4.83123 5.21704 -6.23868 TIMING: 1487200 CPU: 4730.43, 0.00317662/step Wall: 4730.43, 0.00317662/step, 3.09967 hours remaining, 236.976562 MB of memory in use. ENERGY: 1487200 3974.8611 20346.4324 14496.8652 247.2328 -203212.2200 2578.5024 0.0000 0.0000 52158.4337 -109409.8922 299.7552 -161568.3259 -109051.0413 299.4036 -151.0464 -116.4873 761004.6044 -3.7512 -3.6287 PRESSURE: 1487400 163.98 64.2917 116.065 64.2916 70.8014 214.025 116.065 214.024 158.055 GPRESSURE: 1487400 31.2382 89.7925 143.566 41.4326 228.864 134.451 -127.356 270.5 201.995 PRESSAVG: 1487400 36.3096 29.6597 20.2837 29.6597 -45.0147 -49.716 20.2837 -49.7159 -3.39141 GPRESSAVG: 1487400 35.2547 28.6696 19.0307 29.6698 -44.503 -49.8751 19.481 -50.4134 -3.06713 TIMING: 1487400 CPU: 4731.07, 0.00319554/step Wall: 4731.07, 0.00319554/step, 3.11796 hours remaining, 236.976562 MB of memory in use. ENERGY: 1487400 3947.2974 20620.4256 14481.6369 239.0613 -203642.3366 2775.0554 0.0000 0.0000 51798.3416 -109780.5183 297.6858 -161578.8599 -109424.1715 298.4917 130.9455 154.0325 760948.3760 -4.0322 -4.1052 PRESSURE: 1487600 -48.6277 -85.4743 158.132 -85.4744 -112.785 49.9368 158.133 49.937 192.401 GPRESSURE: 1487600 -2.80911 -134.209 71.1529 -68.2189 -71.5348 22.705 208.083 39.9963 211.246 PRESSAVG: 1487600 11.348 64.9719 10.1144 64.9719 -5.0362 -25.681 10.1144 -25.681 -8.89257 GPRESSAVG: 1487600 11.0982 66.1389 10.0385 63.4128 -5.10765 -25.4972 9.77592 -25.5926 -9.24138 TIMING: 1487600 CPU: 4731.71, 0.00318955/step Wall: 4731.71, 0.00318955/step, 3.11194 hours remaining, 236.976562 MB of memory in use. ENERGY: 1487600 3995.6958 20392.2605 14445.0770 230.8204 -203682.7245 2505.7789 0.0000 0.0000 52023.3303 -110089.7616 298.9788 -162113.0919 -109726.2110 298.0723 10.3295 45.6341 758722.2839 -0.8602 -1.0836 PRESSURE: 1487800 -294.535 -77.1488 -79.4481 -77.149 246.009 -10.2734 -79.4474 -10.2729 56.7228 GPRESSURE: 1487800 -182.233 -82.173 -74.1553 -150.384 145.334 53.6586 -203.314 -47.4707 149.193 PRESSAVG: 1487800 18.7353 5.97868 -8.47798 5.97868 -7.2103 61.7252 -8.47803 61.7252 9.44246 GPRESSAVG: 1487800 18.9961 5.33798 -8.2303 7.53027 -8.17192 63.9081 -6.33189 61.245 9.99869 TIMING: 1487800 CPU: 4732.34, 0.00318405/step Wall: 4732.34, 0.00318405/step, 3.10639 hours remaining, 236.976562 MB of memory in use. ENERGY: 1487800 3980.2942 20587.7102 14427.9636 261.1236 -203382.7683 2422.1899 0.0000 0.0000 51868.8914 -109834.5953 298.0912 -161703.4868 -109481.6580 297.9864 2.7323 37.4312 760062.0994 6.9891 6.9409 PRESSURE: 1488000 -90.5504 -64.9809 -45.1009 -64.9796 241.723 180.673 -45.1013 180.673 159.298 GPRESSURE: 1488000 62.8977 -63.4588 -133.281 -66.2238 231.072 75.8815 143.308 45.6038 129.195 PRESSAVG: 1488000 16.0976 -42.8031 -19.2258 -42.8031 -33.2691 42.5712 -19.2258 42.5712 -8.00464 GPRESSAVG: 1488000 16.5257 -43.8874 -19.4982 -42.6419 -31.7985 40.1418 -17.9687 42.5802 -9.47117 TIMING: 1488000 CPU: 4732.98, 0.00318043/step Wall: 4732.98, 0.00318043/step, 3.10269 hours remaining, 236.976562 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: 1488000 4016.8523 20355.2350 14562.6663 240.8471 -203854.2116 2988.4986 0.0000 0.0000 51929.3235 -109760.7889 298.4385 -161690.1124 -109398.2448 298.7469 103.4901 141.0551 759711.6433 -8.3920 -8.2480 PRESSURE: 1488200 108.714 13.3377 -164.767 13.3378 67.692 -31.8014 -164.767 -31.8012 140.698 GPRESSURE: 1488200 164.646 -48.1486 -111.32 -30.3717 72.4915 -32.22 -250.475 36.6039 155.658 PRESSAVG: 1488200 75.5625 -18.8625 -18.5147 -18.8625 -42.8249 -11.3315 -18.5147 -11.3316 24.0146 GPRESSAVG: 1488200 75.5695 -18.0713 -16.6302 -18.2333 -43.7683 -9.7893 -20.7067 -12.0406 25.222 TIMING: 1488200 CPU: 4733.63, 0.00322744/step Wall: 4733.63, 0.00322744/step, 3.14837 hours remaining, 236.976562 MB of memory in use. ENERGY: 1488200 4050.8705 20463.7136 14490.6084 246.9089 -203931.6613 2825.8523 0.0000 0.0000 52029.5818 -109824.1259 299.0147 -161853.7077 -109467.5993 298.8652 105.7014 130.9317 758177.7871 18.9174 19.0077 LDB: ============= START OF LOAD BALANCING ============== 4746.08 LDB: ============== END OF LOAD BALANCING =============== 4746.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4746.08 LDB: ============= START OF LOAD BALANCING ============== 4746.4 LDB: Largest compute 7059 load 0.038771 is 19.9% of average load 0.195034 LDB: Average compute 0.004413 is 2.3% of average load 0.195034 LDB: TIME 4746.41 LOAD: AVG 0.195034 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.156 MB LDB: TIME 4746.41 LOAD: AVG 0.195034 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: TIME 4746.41 LOAD: AVG 0.195034 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: ============== END OF LOAD BALANCING =============== 4746.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4746.41 PRESSURE: 1488400 18.3454 53.4873 -9.96558 53.4873 130.53 57.3661 -9.9659 57.3665 104.373 GPRESSURE: 1488400 115.347 35.0389 -118.86 42.9486 96.5528 105.465 40.2706 -12.2897 129.84 PRESSAVG: 1488400 104.369 -8.90935 36.8319 -8.90933 -52.1635 3.33257 36.8319 3.33278 23.2375 GPRESSAVG: 1488400 105.131 -8.28954 34.5012 -9.73549 -52.2898 2.55664 37.2783 3.67687 22.4033 TIMING: 1488400 CPU: 4734.28, 0.00326298/step Wall: 4734.28, 0.00326298/step, 3.18286 hours remaining, 237.441406 MB of memory in use. ENERGY: 1488400 4032.4819 20482.8342 14455.6435 248.6225 -203835.5142 2795.3136 0.0000 0.0000 51732.5509 -110088.0676 297.3077 -161820.6185 -109741.0368 298.5011 84.4164 113.9133 760170.6278 25.1476 25.0815 PRESSURE: 1488600 38.4363 29.8466 136.385 29.8456 -113.36 -78.2764 136.384 -78.2771 143.19 GPRESSURE: 1488600 63.5538 29.6179 100.295 -33.8515 -44.9635 -43.523 13.4846 -214.242 142.25 PRESSAVG: 1488600 49.9413 -3.09741 63.9517 -3.09738 -44.839 21.4608 63.9517 21.4608 -3.02485 GPRESSAVG: 1488600 49.824 -4.00704 65.8443 -3.59592 -44.3608 21.6649 62.6591 19.7636 -3.84373 TIMING: 1488600 CPU: 4734.92, 0.00321672/step Wall: 4734.92, 0.00321672/step, 3.13755 hours remaining, 237.441406 MB of memory in use. ENERGY: 1488600 4002.5886 20438.1108 14405.1205 249.0792 -203719.7974 2871.4473 0.0000 0.0000 51831.6830 -109921.7680 297.8774 -161753.4510 -109557.3775 298.2745 22.7556 53.6134 760341.7084 0.6925 0.5398 PRESSURE: 1488800 -42.0961 -82.3963 100.826 -82.3951 63.9923 70.3235 100.827 70.3227 -270.334 GPRESSURE: 1488800 -2.77814 -31.4181 189.332 -18.3625 111.475 89.8233 163.653 -10.837 -263.109 PRESSAVG: 1488800 -7.65768 -47.013 39.9762 -47.013 5.87451 20.8028 39.9762 20.8028 1.89861 GPRESSAVG: 1488800 -8.44341 -46.3158 40.9186 -46.5358 6.15326 20.0393 40.3901 22.6213 2.10596 TIMING: 1488800 CPU: 4735.56, 0.0031949/step Wall: 4735.56, 0.0031949/step, 3.11609 hours remaining, 237.441406 MB of memory in use. ENERGY: 1488800 4018.2817 20568.7998 14426.9242 241.9607 -203529.5271 2633.9459 0.0000 0.0000 51950.3247 -109689.2902 298.5592 -161639.6149 -109326.8158 298.9661 -82.8125 -51.4707 759577.8683 0.0385 -0.0614 PRESSURE: 1489000 -79.6299 37.3968 -223.947 37.3962 -170.181 -25.4584 -223.948 -25.458 -157.613 GPRESSURE: 1489000 -105.951 -52.7378 -147.085 42.7563 -159.864 -75.5197 -190.217 -50.5145 -54.7152 PRESSAVG: 1489000 -11.0824 -7.51492 -30.5695 -7.51492 3.24689 -15.245 -30.5695 -15.245 -2.0727 GPRESSAVG: 1489000 -10.6655 -8.27634 -32.317 -8.83824 2.17128 -14.4789 -29.9485 -13.9135 -1.65481 TIMING: 1489000 CPU: 4736.2, 0.0032076/step Wall: 4736.2, 0.0032076/step, 3.12831 hours remaining, 237.441406 MB of memory in use. ENERGY: 1489000 4001.2718 20595.0062 14501.5773 239.2103 -203614.9066 2644.6056 0.0000 0.0000 51919.3929 -109713.8426 298.3815 -161633.2354 -109345.7771 298.9559 -135.8077 -106.8431 758793.2360 -3.3027 -3.3830 PRESSURE: 1489200 -68.8408 -79.9943 -59.4327 -79.9939 -345.145 235.499 -59.4329 235.498 79.1128 GPRESSURE: 1489200 -100.907 41.1178 -40.0934 -119.483 -303.324 230.599 -48.7313 252.111 142.71 PRESSAVG: 1489200 -36.1089 -38.8805 17.5861 -38.8804 7.98039 36.512 17.5861 36.512 14.2684 GPRESSAVG: 1489200 -36.6347 -38.9132 18.7073 -37.8289 8.65843 37.5568 17.0749 37.6776 14.7376 TIMING: 1489200 CPU: 4736.84, 0.00320807/step Wall: 4736.84, 0.00320807/step, 3.12858 hours remaining, 237.441406 MB of memory in use. ENERGY: 1489200 4011.4285 20559.8966 14480.7534 242.0754 -203511.2397 2354.8718 0.0000 0.0000 52197.4995 -109664.7144 299.9797 -161862.2139 -109298.8403 298.8213 -111.6243 -87.1737 759071.5474 -4.6200 -4.4129 PRESSURE: 1489400 17.1683 -29.9082 -225.749 -29.9086 146.701 208.732 -225.747 208.732 83.5183 GPRESSURE: 1489400 26.4321 -6.93656 -169.433 -152.545 144.016 170.793 -114.201 141.197 155.662 PRESSAVG: 1489400 38.5213 29.6128 27.1939 29.6128 -13.5597 61.5211 27.1939 61.5211 13.8961 GPRESSAVG: 1489400 39.3805 29.3781 28.0289 28.6464 -14.5602 59.5514 27.3607 58.8275 13.5387 TIMING: 1489400 CPU: 4737.49, 0.00322236/step Wall: 4737.49, 0.00322236/step, 3.14233 hours remaining, 237.441406 MB of memory in use. ENERGY: 1489400 3890.6889 20502.2229 14537.8508 248.7295 -203478.0117 2404.4744 0.0000 0.0000 51869.4044 -110024.6408 298.0942 -161894.0453 -109660.2950 298.4483 82.4625 108.7034 758896.2307 12.9525 12.7863 PRESSURE: 1489600 -173.835 -65.9938 97.1853 -65.9928 25.607 -105.183 97.1845 -105.183 -137.911 GPRESSURE: 1489600 -169.437 -31.2229 57.6809 -10.1613 111.28 -118.289 11.8839 -53.0656 -124.283 PRESSAVG: 1489600 46.1309 52.9974 10.9344 52.9974 -4.26669 -2.02804 10.9344 -2.02798 -3.13039 GPRESSAVG: 1489600 44.9763 54.9273 8.88662 52.7358 -2.14863 -0.0877897 11.0863 -1.43988 -4.40495 TIMING: 1489600 CPU: 4738.13, 0.00320255/step Wall: 4738.13, 0.00320256/step, 3.12285 hours remaining, 237.441406 MB of memory in use. ENERGY: 1489600 3908.3215 20590.0605 14465.4868 261.2992 -203667.5257 2756.7290 0.0000 0.0000 51942.2527 -109743.3761 298.5128 -161685.6288 -109386.6264 298.5996 -95.3796 -60.8133 758821.6993 12.9113 12.8076 PRESSURE: 1489800 45.6692 -90.0351 -60.8095 -90.0354 -502.857 -220.697 -60.8097 -220.697 91.2467 GPRESSURE: 1489800 52.3147 -7.8942 -25.4684 -219.257 -358.226 -240.727 16.7288 -247.585 19.2177 PRESSAVG: 1489800 -14.7625 -27.3425 25.1614 -27.3425 18.5964 1.07707 25.1614 1.07702 2.2489 GPRESSAVG: 1489800 -15.2194 -30.8135 26.3273 -27.4359 17.8375 0.415236 25.2123 0.408207 3.09233 TIMING: 1489800 CPU: 4738.77, 0.00318822/step Wall: 4738.77, 0.00318822/step, 3.10869 hours remaining, 237.441406 MB of memory in use. ENERGY: 1489800 3909.4522 20496.9450 14462.0499 224.5767 -203360.6013 2450.3602 0.0000 0.0000 51943.4125 -109873.8048 298.5195 -161817.2173 -109503.8698 298.2851 -121.9803 -95.5644 761680.7881 2.0276 1.9035 PRESSURE: 1490000 -56.1466 -153.875 168.519 -153.876 318.535 188.325 168.518 188.325 -112.843 GPRESSURE: 1490000 9.01258 -196.067 177.38 -146.766 276.571 238.767 193.998 291.683 -48.2652 PRESSAVG: 1490000 -28.9814 -33.8782 0.40731 -33.8782 22.8679 -69.2552 0.407254 -69.2552 -27.8326 GPRESSAVG: 1490000 -29.1528 -31.906 -1.65426 -34.5076 22.6485 -68.0978 0.347146 -67.8819 -28.0435 TIMING: 1490000 CPU: 4739.41, 0.00318995/step Wall: 4739.41, 0.00318995/step, 3.1102 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 3949.5006 20544.1085 14503.4677 266.4916 -203648.1623 2615.8772 0.0000 0.0000 51948.4934 -109820.2232 298.5487 -161768.7167 -109459.4316 298.5804 49.8486 79.1060 759042.1952 -11.3154 -11.5159 PRESSURE: 1490200 -77.5163 -31.7588 -68.6756 -31.7588 -218.255 -126.19 -68.6763 -126.191 -243.25 GPRESSURE: 1490200 -84.898 -67.6686 -125.314 -64.75 -208.712 -58.0009 13.8125 -107.809 -163.43 PRESSAVG: 1490200 -5.13882 -41.3891 37.9588 -41.3891 38.0301 8.89675 37.9588 8.89682 -2.91882 GPRESSAVG: 1490200 -4.80398 -39.7346 40.041 -41.2573 36.987 8.57123 38.2473 8.0582 -2.65941 TIMING: 1490200 CPU: 4740.04, 0.00318595/step Wall: 4740.04, 0.00318595/step, 3.10612 hours remaining, 237.441406 MB of memory in use. ENERGY: 1490200 3993.8655 20467.1146 14493.9269 240.1941 -203864.9695 2753.6262 0.0000 0.0000 51881.9638 -110034.2784 298.1664 -161916.2422 -109678.0144 297.9488 -179.6739 -152.3467 760863.0635 9.9908 9.8412 PRESSURE: 1490400 -115.337 -262.401 150.666 -262.4 173.054 33.7549 150.666 33.7545 132.61 GPRESSURE: 1490400 -79.7476 -110.387 116.296 -200.889 156.492 -104.722 118.894 56.2112 206.804 PRESSAVG: 1490400 54.2039 -23.1481 12.7944 -23.1482 -56.1037 -29.138 12.7944 -29.138 3.35483 GPRESSAVG: 1490400 52.5209 -23.7033 11.8446 -21.9535 -54.7548 -29.7887 13.7286 -28.4574 3.51129 TIMING: 1490400 CPU: 4740.68, 0.00320904/step Wall: 4740.68, 0.00320904/step, 3.12845 hours remaining, 237.441406 MB of memory in use. ENERGY: 1490400 3921.3916 20578.0592 14579.8948 255.8936 -203785.9190 2634.3125 0.0000 0.0000 51963.7123 -109852.6550 298.6362 -161816.3672 -109476.7833 297.9920 63.4422 94.5162 759783.2491 0.4850 0.4258 PRESSURE: 1490600 -77.2067 7.31075 -30.0491 7.31039 261.46 129.354 -30.0489 129.353 107.597 GPRESSURE: 1490600 37.8546 -70.8077 -80.2768 -4.08848 274.099 151.911 -90.368 199.33 70.3297 PRESSAVG: 1490600 1.15317 -15.685 40.0697 -15.6851 -29.7942 -4.79914 40.0696 -4.79917 -1.70818 GPRESSAVG: 1490600 2.48694 -14.7886 41.9941 -15.3908 -30.6571 -5.09432 37.9883 -5.39487 -1.63959 TIMING: 1490600 CPU: 4741.32, 0.00319149/step Wall: 4741.32, 0.00319149/step, 3.11117 hours remaining, 237.441406 MB of memory in use. ENERGY: 1490600 3919.6792 20574.7635 14473.7729 257.5759 -204039.1564 2955.9210 0.0000 0.0000 52138.6037 -109718.8402 299.6413 -161857.4439 -109350.3068 299.1366 97.2836 127.4277 761837.3333 -10.1164 -9.9366 PRESSURE: 1490800 -73.8533 -189.533 78.8499 -189.533 -151.221 85.9139 78.8493 85.9133 -70.3595 GPRESSURE: 1490800 -90.0269 -218.971 26.0154 -156.468 -163.91 136.238 92.1896 147.396 52.0504 PRESSAVG: 1490800 -9.79333 -46.3657 2.9682 -46.3657 -21.9216 -8.27576 2.96823 -8.2758 13.2293 GPRESSAVG: 1490800 -10.5981 -45.9333 1.19845 -47.994 -21.8159 -7.19863 6.30932 -7.78019 14.1126 TIMING: 1490800 CPU: 4741.96, 0.00319318/step Wall: 4741.96, 0.00319318/step, 3.11265 hours remaining, 237.441406 MB of memory in use. ENERGY: 1490800 3936.8781 20510.6829 14439.1659 250.6616 -203731.4352 2768.7733 0.0000 0.0000 52187.5305 -109637.7429 299.9225 -161825.2734 -109259.7834 298.7189 -98.4781 -67.2954 762238.6567 -6.1619 -6.1004 PRESSURE: 1491000 3.15445 16.0514 -60.2514 16.0513 -38.3637 -27.1652 -60.251 -27.164 210.769 GPRESSURE: 1491000 -25.6838 -121.2 -29.3069 -10.8032 3.1561 -131.387 -38.2288 10.1367 272.012 PRESSAVG: 1491000 9.46258 -57.0214 -32.6581 -57.0214 17.1043 83.6227 -32.6582 83.6227 -19.5478 GPRESSAVG: 1491000 9.86748 -59.128 -32.246 -57.3172 16.8067 82.0115 -34.8009 83.845 -19.8125 TIMING: 1491000 CPU: 4742.6, 0.00320954/step Wall: 4742.6, 0.00320954/step, 3.12841 hours remaining, 237.441406 MB of memory in use. ENERGY: 1491000 3968.1134 20428.0840 14516.7733 259.3564 -203366.6228 2551.9408 0.0000 0.0000 52215.6036 -109426.7513 300.0838 -161642.3549 -109056.9541 299.4840 58.5200 83.1613 761923.2598 2.3397 2.2872 PRESSURE: 1491200 -105.483 -113.871 -24.6569 -113.872 -86.0694 249.524 -24.6566 249.524 -0.976227 GPRESSURE: 1491200 -63.058 28.6824 0.789223 -117.837 -99.3068 248.011 106.559 237.203 82.5305 PRESSAVG: 1491200 4.83136 -42.6797 -40.2305 -42.6797 -8.93691 -7.91082 -40.2305 -7.91073 7.54972 GPRESSAVG: 1491200 5.72316 -40.7194 -39.5047 -40.5907 -8.34535 -7.78756 -38.4332 -7.67807 6.02239 TIMING: 1491200 CPU: 4743.25, 0.00321201/step Wall: 4743.25, 0.00321201/step, 3.13064 hours remaining, 237.441406 MB of memory in use. ENERGY: 1491200 3968.2951 20528.9524 14454.6640 242.6749 -203700.8446 2889.7499 0.0000 0.0000 52069.1841 -109547.3243 299.2423 -161616.5084 -109176.4545 299.2657 -64.1762 -26.6114 762244.5298 1.1481 1.1334 PRESSURE: 1491400 -16.4577 18.5536 66.8779 18.5539 -193.793 25.0602 66.878 25.0617 178.078 GPRESSURE: 1491400 -43.3011 -95.512 -50.8301 -4.29664 -72.7795 89.4398 105.835 -39.789 168.428 PRESSAVG: 1491400 12.0152 10.6157 31.2846 10.6156 -40.3729 57.5899 31.2847 57.5899 -3.62968 GPRESSAVG: 1491400 12.1045 9.82792 29.4059 12.0407 -40.7666 59.7622 29.2127 55.3008 -3.6038 TIMING: 1491400 CPU: 4743.89, 0.00321185/step Wall: 4743.89, 0.00321185/step, 3.1303 hours remaining, 237.441406 MB of memory in use. ENERGY: 1491400 4046.2710 20453.7679 14498.7725 248.1298 -203627.7852 2807.1474 0.0000 0.0000 52042.7736 -109530.9230 299.0905 -161573.6966 -109150.2983 299.0416 -10.7240 17.4491 761546.9921 -10.6625 -10.7553 PRESSURE: 1491600 261.432 -45.5746 73.8007 -45.5746 -60.5239 -8.41139 73.801 -8.41225 68.301 GPRESSURE: 1491600 126.834 -14.7252 75.6035 -125.937 68.4771 -59.0407 81.8353 58.978 151.348 PRESSAVG: 1491600 40.0964 8.26848 -49.0546 8.26854 -0.622636 59.4576 -49.0546 59.4576 -11.4045 GPRESSAVG: 1491600 38.609 7.87563 -47.5985 6.53281 0.0689627 57.7979 -48.6313 61.0533 -10.6365 TIMING: 1491600 CPU: 4744.53, 0.00320561/step Wall: 4744.53, 0.00320561/step, 3.12405 hours remaining, 237.441406 MB of memory in use. ENERGY: 1491600 3976.4600 20518.1868 14490.9761 261.8228 -203592.1915 2816.3891 0.0000 0.0000 51895.1668 -109633.1899 298.2422 -161528.3566 -109271.8262 299.2094 89.7365 115.5532 760897.8735 9.3564 9.3472 PRESSURE: 1491800 -36.4993 21.1239 240.137 21.1246 329.025 -397.068 240.139 -397.068 162.295 GPRESSURE: 1491800 -64.3628 25.6753 185.136 34.9569 336.794 -374.944 237.919 -362.745 248.383 PRESSAVG: 1491800 53.3907 -36.8435 11.1234 -36.8435 -26.6416 -12.1868 11.1234 -12.1868 5.25369 GPRESSAVG: 1491800 54.8727 -36.7566 12.2671 -36.2977 -28.3507 -11.9247 9.1975 -11.5224 5.2729 TIMING: 1491800 CPU: 4745.17, 0.00322643/step Wall: 4745.17, 0.00322643/step, 3.14416 hours remaining, 237.441406 MB of memory in use. ENERGY: 1491800 3998.2045 20572.7982 14473.0642 240.4913 -203964.1467 2913.4844 0.0000 0.0000 52112.4337 -109653.6704 299.4909 -161766.1041 -109291.0760 298.9937 151.6068 173.6048 759305.3272 10.6676 10.5983 PRESSURE: 1492000 282.913 -184.071 -421.706 -184.07 106.77 -97.4058 -421.706 -97.4051 129.48 GPRESSURE: 1492000 340.867 -129.825 -442.359 -149.598 143.33 -72.7449 -340.658 -148.722 118.549 PRESSAVG: 1492000 -57.2918 -53.9617 -33.4473 -53.9618 69.4554 -17.0483 -33.4474 -17.0483 15.4456 GPRESSAVG: 1492000 -57.199 -53.2406 -34.2566 -56.8368 68.9141 -17.8819 -32.7782 -17.0683 15.9858 TIMING: 1492000 CPU: 4745.82, 0.00321378/step Wall: 4745.82, 0.00321378/step, 3.13165 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 3942.8059 20566.0053 14505.5749 245.3437 -203484.7403 2668.8433 0.0000 0.0000 51955.6672 -109600.5001 298.5899 -161556.1673 -109238.0135 299.2673 173.0544 200.9151 759328.7956 9.2031 9.2336 PRESSURE: 1492200 -265.137 -1.82274 -97.9706 -1.8219 -237.617 158.884 -97.9702 158.882 -653.87 GPRESSURE: 1492200 -276.395 0.345455 -154.558 83.0982 -232.214 209.117 -45.5073 138.308 -551.809 PRESSAVG: 1492200 3.59347 2.35714 -11.4878 2.35712 -10.3841 -44.7373 -11.4879 -44.7374 3.47099 GPRESSAVG: 1492200 2.06944 1.23238 -12.8148 3.55895 -9.06827 -44.016 -10.5281 -47.5088 2.92049 TIMING: 1492200 CPU: 4746.46, 0.0032184/step Wall: 4746.46, 0.0032184/step, 3.13597 hours remaining, 237.441406 MB of memory in use. ENERGY: 1492200 4077.5068 20493.2721 14420.2494 235.6006 -203007.1000 2274.2925 0.0000 0.0000 51856.6200 -109649.5585 298.0207 -161506.1785 -109294.2241 299.0078 -385.5415 -353.4726 761587.9756 -1.1065 -1.3594 LDB: ============= START OF LOAD BALANCING ============== 4758.92 LDB: ============== END OF LOAD BALANCING =============== 4758.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4758.92 LDB: ============= START OF LOAD BALANCING ============== 4759.24 LDB: Largest compute 7059 load 0.037821 is 19.4% of average load 0.195202 LDB: Average compute 0.004405 is 2.3% of average load 0.195202 LDB: TIME 4759.24 LOAD: AVG 0.195202 MAX 0.217371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 4759.24 LOAD: AVG 0.195202 MAX 0.217371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.246 MB LDB: TIME 4759.24 LOAD: AVG 0.195202 MAX 0.217371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.246 MB LDB: ============== END OF LOAD BALANCING =============== 4759.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4759.25 PRESSURE: 1492400 -42.4207 36.972 -15.7376 36.9722 -90.9854 53.1914 -15.738 53.1915 -208.287 GPRESSURE: 1492400 -8.99693 29.0472 -42.1827 79.2419 -82.2238 -40.8793 -46.5492 194.765 -164.441 PRESSAVG: 1492400 12.0193 -26.5782 -27.1416 -26.5782 -0.66359 -6.38568 -27.1416 -6.38571 15.6224 GPRESSAVG: 1492400 11.8564 -25.0019 -27.7531 -26.5669 -0.770258 -6.28949 -28.4397 -5.23651 15.8074 TIMING: 1492400 CPU: 4747.12, 0.00327289/step Wall: 4747.12, 0.00327289/step, 3.18888 hours remaining, 238.152344 MB of memory in use. ENERGY: 1492400 4011.7692 20576.7082 14543.2277 236.3852 -203299.0023 2475.2726 0.0000 0.0000 51963.5957 -109492.0437 298.6355 -161455.6394 -109129.5040 299.3055 -113.8978 -85.2205 758768.2907 8.9927 8.9645 PRESSURE: 1492600 -126.921 45.4952 132.691 45.495 -210.887 -2.53664 132.692 -2.53641 -102.174 GPRESSURE: 1492600 22.6497 103.893 139.757 -21.0146 -239.952 33.4441 78.7442 101.076 -143.264 PRESSAVG: 1492600 42.5658 -26.3739 22.7479 -26.3739 -68.5374 -48.9784 22.7479 -48.9784 -25.1297 GPRESSAVG: 1492600 44.338 -25.1879 24.1039 -26.7198 -68.5864 -48.543 22.1343 -49.1209 -26.6246 TIMING: 1492600 CPU: 4747.75, 0.00318787/step Wall: 4747.75, 0.00318787/step, 3.10587 hours remaining, 238.152344 MB of memory in use. ENERGY: 1492600 3949.6109 20579.5523 14421.1098 250.0783 -203165.3775 2309.9642 0.0000 0.0000 52137.3847 -109517.6773 299.6343 -161655.0620 -109149.1999 298.9097 -146.6610 -120.1889 759920.0093 -17.0338 -16.9577 PRESSURE: 1492800 374.016 -132.819 -180.811 -132.819 -65.9187 124.58 -180.811 124.581 176.921 GPRESSURE: 1492800 368.115 -42.9165 -172.452 -101.749 -17.3988 130.65 -4.3148 102.907 217.003 PRESSAVG: 1492800 39.5383 -46.4012 3.46412 -46.4012 -41.969 -28.7856 3.46411 -28.7856 -0.880116 GPRESSAVG: 1492800 38.5033 -47.2002 4.60714 -45.6919 -42.8852 -29.8739 5.37707 -26.3755 1.02667 TIMING: 1492800 CPU: 4748.39, 0.0031803/step Wall: 4748.39, 0.0031803/step, 3.09832 hours remaining, 238.152344 MB of memory in use. ENERGY: 1492800 4004.0951 20469.3806 14454.3482 248.3957 -203627.8596 2813.4438 0.0000 0.0000 51958.7862 -109679.4101 298.6079 -161638.1963 -109304.0900 299.1956 161.6725 189.2396 760380.1114 -1.1036 -1.1184 PRESSURE: 1493000 400.192 80.5055 107.374 80.5046 -380.029 55.6135 107.375 55.6128 237.226 GPRESSURE: 1493000 409.038 119.646 51.6535 -1.90184 -263.028 76.9471 177.322 89.4321 208.985 PRESSAVG: 1493000 51.5198 -8.55843 6.05771 -8.55842 -2.3071 5.73334 6.05772 5.73334 -9.09302 GPRESSAVG: 1493000 50.8163 -8.78584 4.86189 -9.9323 -1.16391 4.62375 6.07977 5.28102 -8.99617 TIMING: 1493000 CPU: 4749.03, 0.00321942/step Wall: 4749.03, 0.00321942/step, 3.13625 hours remaining, 238.152344 MB of memory in use. ENERGY: 1493000 3970.6250 20412.0915 14530.6418 249.8313 -203841.8549 2759.3757 0.0000 0.0000 52252.8267 -109666.4629 300.2977 -161919.2895 -109299.6358 299.2526 85.7964 118.3319 758821.6325 13.3732 13.5521 PRESSURE: 1493200 -288.072 -88.941 -24.6216 -88.9415 -94.4786 -34.4021 -24.6212 -34.402 103.015 GPRESSURE: 1493200 -179.452 -93.8617 -44.2019 -124.312 -39.4939 14.4351 -15.5952 -79.796 24.4785 PRESSAVG: 1493200 23.3487 -59.2834 24.7419 -59.2834 -39.6083 42.8675 24.7419 42.8675 3.25009 GPRESSAVG: 1493200 23.7338 -59.389 25.2531 -58.9241 -39.3573 44.0787 25.6512 41.4341 2.27315 TIMING: 1493200 CPU: 4749.68, 0.00321773/step Wall: 4749.68, 0.00321773/step, 3.13443 hours remaining, 238.152344 MB of memory in use. ENERGY: 1493200 3983.1557 20454.6273 14445.6580 243.9942 -203338.9872 2519.1722 0.0000 0.0000 52041.6301 -109650.7497 299.0840 -161692.3798 -109279.6721 298.9377 -93.1785 -64.8224 761530.0962 -4.3365 -4.4501 PRESSURE: 1493400 -68.116 -89.7957 150.365 -89.7964 -217.054 -30.9091 150.365 -30.9094 -235.135 GPRESSURE: 1493400 2.82154 -81.4734 187.149 -155.092 -205.052 -5.46452 43.994 -4.37823 -239.879 PRESSAVG: 1493400 23.3998 -31.8008 2.61985 -31.8008 9.88091 1.49587 2.61989 1.4959 -9.84046 GPRESSAVG: 1493400 25.1543 -32.369 2.55623 -31.2374 7.73559 2.24597 0.314053 2.59589 -9.45476 TIMING: 1493400 CPU: 4750.32, 0.00319699/step Wall: 4750.32, 0.00319699/step, 3.11405 hours remaining, 238.152344 MB of memory in use. ENERGY: 1493400 4017.7871 20591.9933 14500.2480 237.6014 -203622.9365 2688.1447 0.0000 0.0000 52033.5426 -109553.6194 299.0375 -161587.1620 -109195.4711 299.2445 -173.4349 -147.3699 759531.3146 7.8134 7.8117 PRESSURE: 1493600 191.958 -65.3724 -239.82 -65.3714 28.0598 -100.872 -239.82 -100.872 -292.281 GPRESSURE: 1493600 205.295 -41.3493 -194.572 -57.3406 30.8109 -124.678 -237.269 -153.254 -209.038 PRESSAVG: 1493600 51.8562 -16.5911 -36.3024 -16.5911 -23.616 22.4734 -36.3025 22.4734 -5.06996 GPRESSAVG: 1493600 50.9334 -16.5751 -35.3053 -16.2946 -23.2839 21.5259 -36.8214 23.7778 -5.38613 TIMING: 1493600 CPU: 4750.95, 0.00317584/step Wall: 4750.95, 0.00317584/step, 3.09327 hours remaining, 238.152344 MB of memory in use. ENERGY: 1493600 3988.4111 20400.8891 14556.6525 259.0354 -203248.0717 2355.2752 0.0000 0.0000 52258.4973 -109429.3111 300.3303 -161687.8084 -109052.6940 299.4946 -24.0878 9.0226 759801.1909 7.7234 7.4211 PRESSURE: 1493800 -319.034 80.8802 -0.80833 80.8814 -129.357 -125.75 -0.807257 -125.751 201.253 GPRESSURE: 1493800 -269.185 30.5063 -15.8595 29.861 -91.0758 -124.85 -82.455 -29.4017 215.62 PRESSAVG: 1493800 72.274 17.4795 -22.3509 17.4795 -33.5737 -31.8732 -22.3508 -31.8731 -18.363 GPRESSAVG: 1493800 71.6821 17.2856 -23.3142 17.5074 -32.1401 -30.9188 -19.8583 -31.7812 -18.4264 TIMING: 1493800 CPU: 4751.58, 0.00316484/step Wall: 4751.58, 0.00316484/step, 3.08238 hours remaining, 238.152344 MB of memory in use. ENERGY: 1493800 3999.5862 20271.5769 14452.6563 264.3619 -203699.6516 2658.0256 0.0000 0.0000 52405.1182 -109648.3267 301.1729 -162053.4449 -109275.2063 299.3190 -82.3794 -48.2137 762021.2078 6.7791 7.0385 PRESSURE: 1494000 -135.716 -197.587 12.1101 -197.586 -206.242 -54.2573 12.1087 -54.2572 174.927 GPRESSURE: 1494000 -131.07 55.0879 17.0171 -37.9483 -164.37 37.3741 155.679 -22.0088 208.091 PRESSAVG: 1494000 35.2514 -37.9048 -0.941492 -37.9047 -58.0229 -25.9848 -0.941537 -25.9848 26.9134 GPRESSAVG: 1494000 35.6218 -36.8087 -1.0322 -38.1099 -59.1477 -27.5059 -0.698769 -26.8335 27.8774 TIMING: 1494000 CPU: 4752.22, 0.00318411/step Wall: 4752.22, 0.00318411/step, 3.10097 hours remaining, 238.152344 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: 1494000 3941.5561 20553.0893 14430.2263 255.4909 -203314.4028 2409.8497 0.0000 0.0000 51956.0992 -109768.0914 298.5924 -161724.1906 -109398.7957 298.9174 -55.6770 -29.1163 761751.3272 1.3806 1.4505 PRESSURE: 1494200 119.699 -42.0706 122.469 -42.0694 117.675 -185.2 122.469 -185.2 -100.042 GPRESSURE: 1494200 174.758 -45.3373 110.901 -23.5222 125.388 -109.283 -20.0285 -129.464 -99.7224 PRESSAVG: 1494200 18.6984 -39.3081 28.3277 -39.3081 -51.4297 -12.7308 28.3277 -12.7308 20.5063 GPRESSAVG: 1494200 18.565 -39.4696 25.2247 -39.4998 -50.8497 -12.7377 28.2397 -11.9047 19.4683 TIMING: 1494200 CPU: 4752.86, 0.00317922/step Wall: 4752.86, 0.00317922/step, 3.09603 hours remaining, 238.152344 MB of memory in use. ENERGY: 1494200 3911.4877 20646.5637 14537.7995 248.7524 -203561.9160 2451.6434 0.0000 0.0000 51864.7094 -109900.9599 298.0672 -161765.6693 -109540.8930 298.7599 45.7772 66.8077 759489.7305 -4.0750 -4.2721 PRESSURE: 1494400 -66.8351 1.47663 -79.3967 1.47625 205.912 51.8459 -79.3972 51.8456 194.611 GPRESSURE: 1494400 -25.7368 103.32 -31.2614 -101.877 248.122 151.855 -89.7256 14.4473 209.296 PRESSAVG: 1494400 -16.5887 -44.493 -11.9383 -44.4928 -0.137405 -23.6303 -11.9383 -23.6302 7.02946 GPRESSAVG: 1494400 -17.634 -45.8697 -8.99249 -44.4291 0.815972 -20.9458 -13.3709 -25.3567 7.44198 TIMING: 1494400 CPU: 4753.49, 0.00317335/step Wall: 4753.49, 0.00317335/step, 3.09014 hours remaining, 238.152344 MB of memory in use. ENERGY: 1494400 4090.1702 20486.3499 14563.5257 259.6046 -203192.5379 2248.6451 0.0000 0.0000 51789.1611 -109755.0813 297.6330 -161544.2424 -109395.9509 298.2688 111.2292 143.8938 758351.7364 -3.2322 -3.1254 PRESSURE: 1494600 -428.21 44.9724 13.5055 44.9721 -40.4575 156.851 13.5056 156.852 -422.312 GPRESSURE: 1494600 -369.842 1.09738 -46.2345 -32.8918 23.0311 164.879 -132.256 77.4244 -478.973 PRESSAVG: 1494600 -41.2065 -63.2306 -35.725 -63.2306 -25.6386 21.7113 -35.725 21.7113 16.3312 GPRESSAVG: 1494600 -40.6531 -62.9032 -36.9811 -63.3127 -25.8877 20.5789 -36.2845 20.4692 16.5903 TIMING: 1494600 CPU: 4754.13, 0.00317984/step Wall: 4754.13, 0.00317984/step, 3.09628 hours remaining, 238.152344 MB of memory in use. ENERGY: 1494600 4031.2936 20661.8835 14447.3953 250.0910 -203431.0518 2491.5635 0.0000 0.0000 51932.3800 -109616.4449 298.4561 -161548.8249 -109252.0713 298.6200 -296.9931 -275.2614 761814.5096 -16.8380 -16.6502 PRESSURE: 1494800 3.01595 -230.45 -363.474 -230.451 -66.8681 -13.3457 -363.474 -13.346 -172.244 GPRESSURE: 1494800 15.4568 -244.916 -323.508 -270.477 19.8692 21.8309 -323.293 -4.08993 -175.927 PRESSAVG: 1494800 -16.5806 -7.70192 -70.1588 -7.70195 24.677 -7.20167 -70.1587 -7.20168 -15.551 GPRESSAVG: 1494800 -15.5937 -9.0221 -69.0433 -7.79076 23.8502 -6.59339 -66.7231 -4.81242 -15.6512 TIMING: 1494800 CPU: 4754.76, 0.00316221/step Wall: 4754.76, 0.00316221/step, 3.07894 hours remaining, 238.222656 MB of memory in use. ENERGY: 1494800 3965.1517 20483.1454 14448.2337 239.8718 -203273.2912 2534.6651 0.0000 0.0000 52169.3115 -109432.9121 299.8177 -161602.2235 -109070.0107 299.6256 -78.6986 -46.8669 760803.3340 -2.4849 -2.4649 PRESSURE: 1495000 -17.0568 25.8454 4.92527 25.8453 114.527 -6.3198 4.92473 -6.3193 99.6894 GPRESSURE: 1495000 7.27531 63.0089 -17.9139 1.50771 153 -12.6447 -7.17968 -78.5258 124.572 PRESSAVG: 1495000 7.33454 -57.7533 -69.7105 -57.7533 -2.6631 31.9661 -69.7105 31.9661 -29.8762 GPRESSAVG: 1495000 6.25 -55.3221 -69.3787 -57.0326 -2.22604 32.3666 -73.5555 30.5779 -29.093 TIMING: 1495000 CPU: 4755.39, 0.00316433/step Wall: 4755.39, 0.00316433/step, 3.08083 hours remaining, 238.222656 MB of memory in use. ENERGY: 1495000 4018.4519 20556.3970 14491.9876 260.1308 -203703.4250 2563.7180 0.0000 0.0000 52168.3671 -109644.3726 299.8123 -161812.7397 -109285.2235 299.7161 65.7198 94.9492 760417.4064 -8.4016 -8.3563 PRESSURE: 1495200 -178.066 -6.74895 143.161 -6.74917 129.589 -88.1992 143.161 -88.1981 -20.2011 GPRESSURE: 1495200 -127.289 132.206 2.75318 -49.1442 125.088 -75.7138 139.294 -182.305 29.6796 PRESSAVG: 1495200 -11.4002 -45.3661 -36.5318 -45.366 50.9525 -25.2625 -36.5317 -25.2625 19.0569 GPRESSAVG: 1495200 -10.1448 -46.4082 -37.2363 -45.8206 51.5783 -26.8679 -34.6926 -23.5189 17.8792 TIMING: 1495200 CPU: 4756.02, 0.00313848/step Wall: 4756.02, 0.00313848/step, 3.05548 hours remaining, 238.222656 MB of memory in use. ENERGY: 1495200 3970.0379 20489.5722 14421.1763 267.6710 -203532.1468 2630.2591 0.0000 0.0000 52157.0725 -109596.3579 299.7474 -161753.4303 -109235.8332 299.5195 -22.8928 9.1597 761028.3383 19.5364 19.7709 PRESSURE: 1495400 -207.332 -182.308 14.4427 -182.308 -102.336 109.35 14.4421 109.349 -18.6586 GPRESSURE: 1495400 -135.565 -179.839 -61.1469 -299.318 -56.8218 80.6177 -68.4883 24.8755 -35.8359 PRESSAVG: 1495400 -59.9989 -65.7109 -1.94208 -65.7109 99.8563 -3.37356 -1.942 -3.37358 -20.4579 GPRESSAVG: 1495400 -60.2015 -63.5881 -1.85351 -67.9595 100.051 -2.04426 -1.92886 -6.44694 -20.1671 TIMING: 1495400 CPU: 4756.65, 0.00316066/step Wall: 4756.65, 0.00316066/step, 3.0769 hours remaining, 238.222656 MB of memory in use. ENERGY: 1495400 4026.1461 20615.6880 14458.2801 255.1293 -203573.2776 2689.8405 0.0000 0.0000 52097.3572 -109430.8364 299.4042 -161528.1936 -109067.2422 299.3840 -109.4422 -76.0743 759603.4557 6.4665 6.5609 PRESSURE: 1495600 -21.6669 -148.329 129.35 -148.328 -234.766 56.25 129.35 56.2507 112.879 GPRESSURE: 1495600 -0.663831 -30.6587 19.6251 -119.599 -153.301 121.242 120.384 47.0764 81.9519 PRESSAVG: 1495600 13.6854 -13.9438 23.6419 -13.9438 -25.3788 -6.91286 23.6419 -6.91281 1.54135 GPRESSAVG: 1495600 13.1049 -15.4879 23.4994 -11.2947 -25.2932 -8.01144 23.0551 -5.21939 2.15736 TIMING: 1495600 CPU: 4757.29, 0.00317389/step Wall: 4757.29, 0.00317389/step, 3.0896 hours remaining, 238.222656 MB of memory in use. ENERGY: 1495600 3981.4383 20600.5258 14502.2458 251.8067 -203214.3694 2533.2945 0.0000 0.0000 51834.5899 -109510.4685 297.8941 -161345.0583 -109150.6778 299.2702 -47.8514 -24.0042 762000.8465 -3.3840 -3.3436 PRESSURE: 1495800 -29.2513 76.4709 293.445 76.4711 8.97073 56.3596 293.445 56.3614 -132.127 GPRESSURE: 1495800 -12.9704 -50.556 289.977 129.921 8.43801 61.7185 174.434 -22.8447 -90.8864 PRESSAVG: 1495800 -10.006 -52.6279 68.2078 -52.6279 6.27209 -58.3718 68.2078 -58.3718 27.9628 GPRESSAVG: 1495800 -9.55654 -54.3355 67.0057 -52.5678 4.35296 -57.9878 68.2584 -58.8655 28.6918 TIMING: 1495800 CPU: 4757.92, 0.00318288/step Wall: 4757.92, 0.00318288/step, 3.09818 hours remaining, 238.222656 MB of memory in use. ENERGY: 1495800 4047.7766 20604.2838 14464.5395 250.2698 -203507.1077 2660.9436 0.0000 0.0000 51950.1951 -109529.0994 298.5585 -161479.2945 -109168.3611 299.2119 -50.8025 -31.8063 760496.8586 8.0763 7.8294 PRESSURE: 1496000 -337.279 -119.021 -70.6355 -119.022 -223.128 -17.855 -70.6351 -17.8542 31.7976 GPRESSURE: 1496000 -150.35 -257.304 -3.26202 -44.93 -265.601 -81.9698 -121.717 -28.2673 -11.6322 PRESSAVG: 1496000 -23.347 2.78789 5.22126 2.78792 62.1662 -32.8108 5.22132 -32.8109 10.2051 GPRESSAVG: 1496000 -23.6868 3.57595 5.98132 2.02338 63.5488 -33.6463 4.80057 -32.3412 8.9604 TIMING: 1496000 CPU: 4758.56, 0.00320563/step Wall: 4758.56, 0.00320563/step, 3.12014 hours remaining, 238.425781 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: 1496000 3987.6762 20395.3678 14535.9117 258.0229 -203425.6361 2412.4850 0.0000 0.0000 52493.9615 -109342.2110 301.6835 -161836.1725 -108968.9827 299.6293 -176.2029 -142.5279 760896.5008 16.3414 16.2741 PRESSURE: 1496200 -110.661 -179.362 47.285 -179.362 -463.918 111.831 47.2845 111.832 -117.318 GPRESSURE: 1496200 -77.2517 -192.132 26.0349 -100.431 -421.278 179.786 114.793 153.859 -91.2036 PRESSAVG: 1496200 39.0033 -7.41721 16.1971 -7.4172 -22.2503 -27.7443 16.1971 -27.7443 9.74049 GPRESSAVG: 1496200 38.3473 -7.5443 17.1949 -7.55452 -21.9869 -26.8488 15.5526 -27.1652 10.3535 TIMING: 1496200 CPU: 4759.2, 0.00317344/step Wall: 4759.2, 0.00317344/step, 3.08864 hours remaining, 238.425781 MB of memory in use. ENERGY: 1496200 4078.9863 20471.2409 14521.3887 242.3728 -203459.4286 2599.8513 0.0000 0.0000 52265.3366 -109280.2519 300.3696 -161545.5886 -108913.9884 300.0837 -230.6322 -196.5778 761923.9216 8.8312 8.9046 LDB: ============= START OF LOAD BALANCING ============== 4771.65 LDB: ============== END OF LOAD BALANCING =============== 4771.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4771.65 LDB: ============= START OF LOAD BALANCING ============== 4771.97 LDB: Largest compute 7059 load 0.037910 is 19.4% of average load 0.195164 LDB: Average compute 0.004404 is 2.3% of average load 0.195164 LDB: TIME 4771.98 LOAD: AVG 0.195164 MAX 0.215789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.441 MB LDB: TIME 4771.98 LOAD: AVG 0.195164 MAX 0.215789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.441 MB LDB: TIME 4771.98 LOAD: AVG 0.195164 MAX 0.215789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.441 MB LDB: ============== END OF LOAD BALANCING =============== 4771.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4771.98 PRESSURE: 1496400 -113.598 195.684 -70.8435 195.684 -92.2972 -104.356 -70.8439 -104.356 -76.2732 GPRESSURE: 1496400 -78.1361 197.431 -125.441 169.669 -63.9388 -90.6179 51.9485 -89.2683 -39.2969 PRESSAVG: 1496400 53.212 -32.8914 22.1187 -32.8915 -17.975 9.20263 22.1186 9.20261 16.0017 GPRESSAVG: 1496400 54.3799 -32.1361 20.8641 -32.8449 -18.0747 9.8384 24.4435 9.12976 15.7222 TIMING: 1496400 CPU: 4759.85, 0.00323975/step Wall: 4759.85, 0.00323975/step, 3.15299 hours remaining, 238.921875 MB of memory in use. ENERGY: 1496400 3952.6477 20458.1586 14534.0285 249.0345 -203205.6334 2664.8260 0.0000 0.0000 52040.5361 -109306.4019 299.0777 -161346.9380 -108924.2453 299.7431 -94.0563 -60.4573 761639.7804 17.0796 17.3425 PRESSURE: 1496600 -44.0269 70.5907 -35.6785 70.5905 -8.17971 -125.024 -35.6779 -125.023 -268.046 GPRESSURE: 1496600 -55.7843 121.122 -24.8576 45.9116 17.495 -47.7238 4.98469 -98.2232 -193.853 PRESSAVG: 1496600 2.33596 28.7412 3.08632 28.7412 -48.1246 -32.9722 3.08634 -32.9722 -9.87251 GPRESSAVG: 1496600 2.6322 29.4452 4.98876 30.3346 -47.9362 -34.118 3.24484 -32.8247 -10.5483 TIMING: 1496600 CPU: 4760.48, 0.00317935/step Wall: 4760.48, 0.00317935/step, 3.09404 hours remaining, 239.125000 MB of memory in use. ENERGY: 1496600 4094.1697 20674.1741 14433.9577 236.9200 -203496.1132 2768.2236 0.0000 0.0000 52095.4843 -109193.1838 299.3935 -161288.6681 -108834.9181 299.6227 -106.7509 -77.3808 761814.4492 -18.5537 -18.6174 PRESSURE: 1496800 -265.454 54.1088 78.9073 54.1082 -40.0413 -73.3426 78.9076 -73.3437 -61.0978 GPRESSURE: 1496800 -151.242 118.045 100.53 44.6451 -55.9533 -113.503 71.3585 16.0817 -80.6413 PRESSAVG: 1496800 -53.3547 -33.3535 15.4887 -33.3535 46.923 -20.0495 15.4887 -20.0495 -2.59944 GPRESSAVG: 1496800 -53.2117 -33.8247 12.4645 -33.1243 46.1802 -21.2106 13.5069 -19.7451 -2.29335 TIMING: 1496800 CPU: 4761.12, 0.00317445/step Wall: 4761.12, 0.00317445/step, 3.08909 hours remaining, 239.125000 MB of memory in use. ENERGY: 1496800 3927.2391 20577.8088 14522.3425 254.1435 -203285.3411 2385.4974 0.0000 0.0000 52359.4417 -109258.8682 300.9104 -161618.3099 -108900.2823 299.8992 -122.1978 -95.9455 760025.2135 -3.0104 -3.1083 PRESSURE: 1497000 -245.416 6.20036 114.479 6.20113 -287.57 -89.2186 114.479 -89.2191 -146.407 GPRESSURE: 1497000 -222.118 -43.8284 30.2594 64.3458 -222.49 -87.2531 125.744 -32.6866 -138.316 PRESSAVG: 1497000 0.460898 10.3749 4.83859 10.3749 -34.0781 52.906 4.83857 52.906 12.7054 GPRESSAVG: 1497000 0.47201 9.95648 5.20595 9.8865 -34.1203 53.4685 5.32433 51.5527 13.3806 TIMING: 1497000 CPU: 4761.75, 0.00317428/step Wall: 4761.75, 0.00317428/step, 3.08875 hours remaining, 239.125000 MB of memory in use. ENERGY: 1497000 4027.7049 20618.5293 14434.9533 251.1070 -203267.8395 2458.6848 0.0000 0.0000 52126.7613 -109350.0988 299.5732 -161476.8602 -108990.0843 299.7829 -226.4642 -194.3081 762801.5277 -6.9706 -6.7559 PRESSURE: 1497200 9.38022 -147.518 -185.355 -147.519 83.2354 117.47 -185.355 117.47 19.7345 GPRESSURE: 1497200 216.238 -234.031 -197.012 -166.478 22.708 60.0888 -20.5574 124.587 -33.5774 PRESSAVG: 1497200 22.9222 33.8198 36.3363 33.8198 -9.8391 59.7448 36.3363 59.7449 8.12973 GPRESSAVG: 1497200 21.9802 34.5311 37.7213 33.4246 -8.20343 61.7624 36.659 58.0818 7.42616 TIMING: 1497200 CPU: 4762.39, 0.00318769/step Wall: 4762.39, 0.00318769/step, 3.10163 hours remaining, 239.125000 MB of memory in use. ENERGY: 1497200 3965.7534 20539.1903 14453.3904 238.6153 -203646.8051 2864.0959 0.0000 0.0000 52338.7777 -109246.9820 300.7917 -161585.7598 -108880.1448 300.0212 37.4501 68.4562 760804.8027 7.0710 7.0676 PRESSURE: 1497400 48.7208 -72.7919 -63.8413 -72.7922 -51.057 -73.6982 -63.8413 -73.6989 175.962 GPRESSURE: 1497400 88.8258 -14.8202 -65.982 -51.1857 -33.5422 -14.1185 -39.6626 -33.617 187.879 PRESSAVG: 1497400 35.7321 -37.4177 15.5055 -37.4178 -27.5425 36.1189 15.5055 36.1189 14.8562 GPRESSAVG: 1497400 35.6481 -37.6698 16.1852 -37.623 -27.313 34.9254 14.4894 37.122 14.1952 TIMING: 1497400 CPU: 4763.03, 0.00317893/step Wall: 4763.03, 0.00317893/step, 3.09292 hours remaining, 239.125000 MB of memory in use. ENERGY: 1497400 4010.6691 20423.6228 14568.1093 235.7586 -203319.6873 2491.8731 0.0000 0.0000 52302.9558 -109286.6984 300.5858 -161589.6543 -108928.6504 299.6896 57.8753 81.0542 759802.8463 7.6819 7.5101 PRESSURE: 1497600 273.182 126.189 122.67 126.188 -175.679 54.5019 122.67 54.5008 377.362 GPRESSURE: 1497600 371.392 58.3585 122.712 -69.2731 -159.923 -33.1741 114.274 96.555 356.865 PRESSAVG: 1497600 22.5623 -22.6522 43.1367 -22.6522 -30.8582 67.7141 43.1367 67.7141 -20.1024 GPRESSAVG: 1497600 23.4063 -24.0656 42.5012 -24.0613 -32.7812 68.5661 44.7074 70.0805 -18.9521 TIMING: 1497600 CPU: 4763.66, 0.00317609/step Wall: 4763.66, 0.00317609/step, 3.08999 hours remaining, 239.125000 MB of memory in use. ENERGY: 1497600 4001.5442 20480.7752 14552.3934 249.3924 -203081.6537 2540.8913 0.0000 0.0000 52099.8673 -109156.7900 299.4187 -161256.6573 -108795.0308 299.5127 158.2882 189.4449 759550.1470 -9.4661 -9.4423 PRESSURE: 1497800 -199.971 238.635 141.33 238.637 -243.427 81.8502 141.329 81.8501 34.5698 GPRESSURE: 1497800 -148.138 207.904 200.984 254.151 -171.113 -27.877 154.831 13.9759 -10.9722 PRESSAVG: 1497800 52.1772 25.1739 -2.30237 25.174 7.02256 5.53138 -2.30237 5.53137 -2.11648 GPRESSAVG: 1497800 51.9837 27.993 -2.13853 25.5317 7.51747 3.00307 -4.46008 3.53577 -2.24528 TIMING: 1497800 CPU: 4764.3, 0.00319305/step Wall: 4764.3, 0.00319305/step, 3.10631 hours remaining, 239.125000 MB of memory in use. ENERGY: 1497800 3957.4886 20547.0206 14529.6671 257.5073 -203557.7303 2607.4343 0.0000 0.0000 52203.7068 -109454.9058 300.0154 -161658.6126 -109099.9886 299.6569 -136.2762 -110.0745 761275.4717 19.0278 19.0853 PRESSURE: 1498000 67.9271 70.6132 -148.877 70.6133 -132.331 -85.3391 -148.877 -85.3394 -232.354 GPRESSURE: 1498000 15.3173 27.9687 -58.1987 110.447 -21.6558 -80.6131 -65.9067 -78.0897 -185.701 PRESSAVG: 1498000 25.2274 42.2184 -83.1426 42.2184 6.23728 4.53957 -83.1426 4.53961 18.4455 GPRESSAVG: 1498000 25.8482 40.9441 -82.7162 42.9267 6.2225 4.5367 -83.2266 4.83046 18.7202 TIMING: 1498000 CPU: 4764.94, 0.00320071/step Wall: 4764.94, 0.00320071/step, 3.11358 hours remaining, 239.125000 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: 1498000 3961.9257 20574.3966 14431.0592 253.6352 -203380.2091 2641.1314 0.0000 0.0000 51880.3044 -109637.7565 298.1568 -161518.0609 -109279.0550 299.2016 -98.9193 -64.0131 760911.9990 16.6367 16.9303 PRESSURE: 1498200 -501.439 -78.9329 8.93279 -78.9325 -72.9771 -171.454 8.93297 -171.454 -161.375 GPRESSURE: 1498200 -487.406 -100.275 -25.8357 -63.7974 12.9446 -104.693 60.2935 -146.187 -180.351 PRESSAVG: 1498200 -34.8955 -19.127 -42.8517 -19.127 40.6202 -36.3421 -42.8516 -36.3421 9.64124 GPRESSAVG: 1498200 -35.7607 -18.7968 -41.8586 -19.5029 41.3082 -34.7618 -41.6927 -35.5084 9.40034 TIMING: 1498200 CPU: 4765.57, 0.00317272/step Wall: 4765.57, 0.00317272/step, 3.08617 hours remaining, 239.125000 MB of memory in use. ENERGY: 1498200 3972.2165 20596.5523 14515.6077 237.5789 -202769.8572 2157.5743 0.0000 0.0000 51589.4613 -109700.8662 296.4853 -161290.3274 -109350.9518 298.2356 -245.2636 -218.2708 762864.4911 5.1220 4.9826 PRESSURE: 1498400 -59.5119 -97.0362 -270.203 -97.0358 31.1447 50.8806 -270.203 50.8799 66.0403 GPRESSURE: 1498400 -13.3107 -102.289 -179.476 -111.984 46.7388 5.80917 -265.891 50.364 75.5133 PRESSAVG: 1498400 -12.5452 -16.8443 -12.2377 -16.8443 16.5467 -3.82614 -12.2377 -3.82611 -20.3818 GPRESSAVG: 1498400 -12.8444 -17.9586 -13.3715 -16.3112 17.4339 -3.83147 -10.0543 -4.95047 -21.3001 TIMING: 1498400 CPU: 4766.2, 0.00314611/step Wall: 4766.2, 0.00314611/step, 3.06012 hours remaining, 239.125000 MB of memory in use. ENERGY: 1498400 3954.8652 20499.0435 14516.5472 243.0987 -203239.4155 2534.0660 0.0000 0.0000 51920.7673 -109571.0278 298.3894 -161491.7950 -109210.9890 298.1519 12.5577 36.3138 761592.8851 -5.4601 -5.5702 PRESSURE: 1498600 -108.318 -36.965 226.111 -36.9655 69.0181 78.9588 226.11 78.9589 2.091 GPRESSURE: 1498600 8.36775 5.23251 196.539 -8.21971 103.565 -32.6694 148.918 -60.2426 -44.6439 PRESSAVG: 1498600 -5.5699 12.4587 -51.5192 12.4586 12.7402 -15.4718 -51.5192 -15.4718 2.68769 GPRESSAVG: 1498600 -5.1152 12.4979 -52.9194 12.326 12.5977 -16.8619 -54.9192 -14.9523 2.34566 TIMING: 1498600 CPU: 4766.84, 0.00316106/step Wall: 4766.84, 0.00316107/step, 3.07449 hours remaining, 239.125000 MB of memory in use. ENERGY: 1498600 3996.6111 20323.6427 14512.6460 269.3680 -203287.2322 2456.1486 0.0000 0.0000 51786.2031 -109942.6127 297.6160 -161728.8158 -109586.9727 297.8762 -12.4031 22.4295 760874.8593 3.2860 3.2761 PRESSURE: 1498800 -146.062 222.085 -30.466 222.085 -91.4248 174.158 -30.4655 174.158 -162.964 GPRESSURE: 1498800 -156.784 170.535 52.0794 301.532 11.5944 219.93 -51.831 259.241 -165.959 PRESSAVG: 1498800 -0.117733 -20.8214 -38.709 -20.8214 30.9231 -8.20226 -38.709 -8.20232 -28.6676 GPRESSAVG: 1498800 0.153828 -20.2887 -38.2776 -19.2675 30.3554 -10.3007 -38.8079 -6.45344 -28.4583 TIMING: 1498800 CPU: 4767.47, 0.00318282/step Wall: 4767.47, 0.00318282/step, 3.09547 hours remaining, 239.125000 MB of memory in use. ENERGY: 1498800 3977.8594 20461.0806 14544.4991 248.2466 -203565.3130 2514.7650 0.0000 0.0000 52061.2430 -109757.6192 299.1967 -161818.8623 -109400.6369 298.1577 -133.4835 -103.7162 761174.1810 0.7126 0.6837 PRESSURE: 1499000 -127.248 -182.207 -101.29 -182.207 95.543 -82.5371 -101.29 -82.5355 265.067 GPRESSURE: 1499000 -122.515 -146.309 -188.022 -240.839 108.452 -18.9391 -109.034 -182.69 320.519 PRESSAVG: 1499000 -9.35015 -22.4234 -32.2521 -22.4233 53.9355 7.35627 -32.2522 7.35629 -0.954155 GPRESSAVG: 1499000 -9.91697 -21.4321 -33.0361 -23.0531 52.8647 10.6602 -32.9039 5.50166 1.26685 TIMING: 1499000 CPU: 4768.11, 0.00320121/step Wall: 4768.11, 0.00320121/step, 3.11318 hours remaining, 239.125000 MB of memory in use. ENERGY: 1499000 3983.3725 20535.6800 14501.3824 250.9074 -203700.3145 2737.1927 0.0000 0.0000 52050.1263 -109641.6531 299.1328 -161691.7794 -109284.0566 299.1109 77.7875 102.1521 761081.5673 14.5437 14.7382 PRESSURE: 1499200 -182.579 92.6191 -61.7673 92.6188 1.6936 -63.6948 -61.7666 -63.6953 -161.743 GPRESSURE: 1499200 -159.627 59.1758 -143.366 40.9494 67.896 -33.0708 94.9345 57.373 -147.565 PRESSAVG: 1499200 13.3199 -28.5152 -45.1538 -28.5153 1.69193 -41.9955 -45.1538 -41.9955 -11.0674 GPRESSAVG: 1499200 13.8744 -28.7619 -45.1916 -28.4264 2.69681 -42.1714 -43.3093 -41.0247 -11.8855 TIMING: 1499200 CPU: 4768.75, 0.00318783/step Wall: 4768.75, 0.00318783/step, 3.09999 hours remaining, 239.125000 MB of memory in use. ENERGY: 1499200 4037.9547 20444.6262 14442.7996 244.2903 -203571.0075 2604.0203 0.0000 0.0000 52102.2476 -109695.0688 299.4323 -161797.3164 -109338.8203 298.6200 -114.2093 -79.7655 759518.1298 1.3148 1.5619 PRESSURE: 1499400 -62.7657 164.685 31.1828 164.684 -193.685 -155.195 31.1827 -155.194 -262.979 GPRESSURE: 1499400 -154.466 57.3614 89.9748 -12.7183 -58.6101 -161.098 -25.9346 0.300391 -217.611 PRESSAVG: 1499400 7.56281 -75.1679 52.1907 -75.168 -23.6204 -24.3075 52.1907 -24.3074 -5.17761 GPRESSAVG: 1499400 6.89512 -75.9039 53.5011 -76.1762 -23.2736 -24.5461 50.1162 -24.2421 -4.69697 TIMING: 1499400 CPU: 4769.38, 0.00316622/step Wall: 4769.38, 0.00316622/step, 3.0788 hours remaining, 239.125000 MB of memory in use. ENERGY: 1499400 3990.9729 20522.1665 14512.7949 258.6671 -203380.3842 2504.3251 0.0000 0.0000 51963.7215 -109627.7362 298.6362 -161591.4577 -109250.9036 299.2455 -173.1432 -143.5625 759976.2241 -7.0784 -7.0251 PRESSURE: 1499600 170.11 226.979 -68.1392 226.979 353.191 34.7097 -68.138 34.7101 125.304 GPRESSURE: 1499600 238.418 63.9124 -95.1895 102.056 373.293 87.0742 -90.7658 -159.244 149.204 PRESSAVG: 1499600 -17.3298 -23.7236 4.77472 -23.7236 14.2114 -22.6877 4.77477 -22.6876 25.6919 GPRESSAVG: 1499600 -16.9808 -22.8103 4.95714 -24.1202 14.0933 -20.7686 5.56417 -22.9117 25.6611 TIMING: 1499600 CPU: 4770.02, 0.00318474/step Wall: 4770.02, 0.00318474/step, 3.09662 hours remaining, 239.125000 MB of memory in use. ENERGY: 1499600 3959.9744 20296.5628 14534.4876 236.6738 -203900.5986 2983.8547 0.0000 0.0000 52230.1401 -109658.9052 300.1673 -161889.0453 -109282.8082 298.5993 216.2015 253.6386 760837.2529 7.5245 7.5912 PRESSURE: 1499800 310.834 50.5497 48.3816 50.5501 -217.939 -28.1855 48.3829 -28.1866 27.7334 GPRESSURE: 1499800 237.88 85.4442 42.4381 2.58493 -34.8482 -15.2334 71.8458 1.70291 3.45783 PRESSAVG: 1499800 -3.74819 -18.2467 -5.78787 -18.2467 -32.277 -10.8847 -5.78782 -10.8847 -3.04542 GPRESSAVG: 1499800 -4.84904 -20.092 -5.32292 -16.8532 -31.4863 -13.832 -5.81778 -10.2555 -2.92641 TIMING: 1499800 CPU: 4770.66, 0.00319323/step Wall: 4770.66, 0.00319323/step, 3.1047 hours remaining, 239.125000 MB of memory in use. ENERGY: 1499800 3964.5665 20532.7259 14538.6686 269.5000 -203196.4918 2644.2145 0.0000 0.0000 51849.1386 -109397.6778 297.9777 -161246.8164 -109041.3260 298.9345 40.2097 68.8299 762012.2759 -13.0235 -13.0873 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500000 113.098 -38.2933 -39.6294 -38.2932 108.252 37.3256 -39.6288 37.3262 287.184 GPRESSURE: 1500000 193.186 -97.079 -104.343 41.2331 151.383 5.83099 65.5278 -23.346 266.479 PRESSAVG: 1500000 50.8301 -6.37162 -16.8902 -6.37167 -38.4252 -15.0591 -16.8903 -15.0591 -19.7192 GPRESSAVG: 1500000 51.6618 -4.4744 -17.4589 -7.29244 -39.2552 -13.709 -18.0433 -14.6277 -19.9885 TIMING: 1500000 CPU: 4772.97, 0.0115603/step Wall: 4772.97, 0.0115603/step, 11.2392 hours remaining, 239.179688 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: 1500000 3897.1386 20276.0824 14487.2954 240.4076 -203339.3533 2564.9888 0.0000 0.0000 52226.2049 -109647.2356 300.1447 -161873.4404 -109268.9930 299.2803 169.5116 203.6827 761311.1946 -2.4381 -2.5273 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 PRESSURE: 1500200 -450.281 -143.989 -60.9894 -143.989 -378.097 -76.6236 -60.9891 -76.6243 -87.47 GPRESSURE: 1500200 -402.147 -200.344 -69.0895 -117.769 -367.108 -143.584 -169.313 72.5462 -57.6234 PRESSAVG: 1500200 34.4256 -32.6587 -35.7574 -32.6587 -49.6003 -15.4488 -35.7573 -15.4488 32.9644 GPRESSAVG: 1500200 35.1103 -34.1603 -35.8911 -30.1179 -50.2522 -16.0662 -35.1794 -16.5411 33.6859 TIMING: 1500200 CPU: 4774.16, 0.0059588/step Wall: 4774.16, 0.0059588/step, 5.79295 hours remaining, 239.179688 MB of memory in use. ENERGY: 1500200 3932.5935 20598.0586 14433.3006 245.1696 -203461.8955 2499.7877 0.0000 0.0000 52003.3510 -109749.6345 298.8640 -161752.9856 -109386.5699 298.6228 -305.2828 -275.6260 762725.7762 5.9299 6.1813 LDB: ============= START OF LOAD BALANCING ============== 4786.62 LDB: ============== END OF LOAD BALANCING =============== 4786.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4786.62 LDB: ============= START OF LOAD BALANCING ============== 4786.94 LDB: Largest compute 7078 load 0.037347 is 19.1% of average load 0.195204 LDB: Average compute 0.004422 is 2.3% of average load 0.195204 LDB: TIME 4786.94 LOAD: AVG 0.195204 MAX 0.215398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.539 MB LDB: TIME 4786.94 LOAD: AVG 0.195204 MAX 0.215398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: TIME 4786.94 LOAD: AVG 0.195204 MAX 0.215398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.633 MB LDB: ============== END OF LOAD BALANCING =============== 4786.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4786.95 PRESSURE: 1500400 170.494 8.10106 13.0691 8.10232 -353.091 146.444 13.069 146.443 -40.2864 GPRESSURE: 1500400 150.385 -29.5536 -20.9653 61.0436 -321.772 228.406 -20.9588 139.555 11.7993 PRESSAVG: 1500400 52.2502 -32.052 -42.8881 -32.052 -69.431 13.6897 -42.888 13.6896 -1.8865 GPRESSAVG: 1500400 52.4017 -33.5843 -43.6185 -31.647 -69.0229 14.359 -41.5212 14.45 -2.36456 TIMING: 1500400 CPU: 4774.81, 0.00324666/step Wall: 4774.81, 0.00324666/step, 3.15612 hours remaining, 238.011719 MB of memory in use. ENERGY: 1500400 4036.6214 20535.0093 14551.3756 236.4187 -203838.5308 2742.2312 0.0000 0.0000 52012.2032 -109724.6714 298.9148 -161736.8746 -109366.5526 299.1956 -74.2944 -53.1959 761451.7272 -6.3558 -6.3286 PRESSURE: 1500600 -159.886 82.4009 167.053 82.4013 -348.354 -207.348 167.051 -207.347 -44.7291 GPRESSURE: 1500600 -158.887 -8.31117 256.983 9.05034 -367.11 -150.217 243.356 -115.047 57.4901 PRESSAVG: 1500600 13.0098 -50.4821 -22.929 -50.4821 -45.6466 65.8584 -22.929 65.8584 12.4188 GPRESSAVG: 1500600 12.1194 -48.2534 -22.1864 -54.2832 -45.908 65.5509 -25.2027 67.1356 13.0369 TIMING: 1500600 CPU: 4775.45, 0.00317811/step Wall: 4775.45, 0.00317811/step, 3.0893 hours remaining, 238.011719 MB of memory in use. ENERGY: 1500600 4028.6293 20502.1144 14500.9263 230.9947 -203391.8742 2598.9362 0.0000 0.0000 51951.0010 -109579.2723 298.5631 -161530.2733 -109228.4451 298.8068 -184.3230 -156.1687 761410.5109 -6.7393 -6.9172 PRESSURE: 1500800 -212.142 -89.7857 -167.428 -89.7864 -330.571 35.0457 -167.428 35.0453 66.0187 GPRESSURE: 1500800 -120.862 -222.836 -125.149 -165.322 -208.724 48.4375 -138.832 25.3938 -56.691 PRESSAVG: 1500800 45.9951 -34.1006 8.87542 -34.1006 -47.9621 54.6155 8.87538 54.6154 8.04243 GPRESSAVG: 1500800 47.2172 -33.9211 10.2261 -31.8079 -47.6072 54.0323 9.25754 53.0466 6.63715 TIMING: 1500800 CPU: 4776.09, 0.00319465/step Wall: 4776.09, 0.00319465/step, 3.1052 hours remaining, 238.011719 MB of memory in use. ENERGY: 1500800 3993.4454 20388.7187 14547.1806 250.4975 -203497.1030 2584.2715 0.0000 0.0000 52286.6944 -109446.2950 300.4924 -161732.9894 -109085.6390 298.9816 -158.8980 -128.7589 761725.8887 2.0251 2.0824 PRESSURE: 1501000 461.621 -218.462 -9.10766 -218.462 -410.853 90.6064 -9.10747 90.6066 -210.564 GPRESSURE: 1501000 387.774 -143.053 43.46 -151.368 -210.702 121.289 -79.5249 96.3144 -238.791 PRESSAVG: 1501000 31.4353 -21.9542 -44.2377 -21.9542 -41.5474 6.89088 -44.2377 6.89087 -4.18701 GPRESSAVG: 1501000 29.9338 -21.4283 -45.2188 -21.9834 -39.7384 7.71552 -44.7349 6.91372 -4.31182 TIMING: 1501000 CPU: 4776.73, 0.00320774/step Wall: 4776.73, 0.00320774/step, 3.11775 hours remaining, 238.011719 MB of memory in use. ENERGY: 1501000 3972.9517 20473.7806 14439.8769 247.8225 -203193.6544 2368.7981 0.0000 0.0000 52063.3446 -109627.0802 299.2088 -161690.4247 -109267.1220 299.2454 -53.2656 -20.5734 760953.9061 -4.7664 -4.7055 PRESSURE: 1501200 52.5031 86.0851 216.688 86.0846 162.084 -20.9248 216.688 -20.925 -62.9088 GPRESSURE: 1501200 108.499 129.961 270.736 -16.2864 182.331 13.6337 170.725 1.28216 -45.5101 PRESSAVG: 1501200 48.6929 -25.0155 31.9871 -25.0155 -43.2522 -20.5143 31.9871 -20.5142 -16.647 GPRESSAVG: 1501200 48.7318 -23.4735 33.29 -25.9371 -44.0739 -20.2273 31.4811 -20.982 -15.3579 TIMING: 1501200 CPU: 4777.37, 0.00320244/step Wall: 4777.37, 0.00320244/step, 3.11241 hours remaining, 238.011719 MB of memory in use. ENERGY: 1501200 3989.0578 20636.4481 14514.2214 238.3575 -203728.0056 2708.7759 0.0000 0.0000 52049.0728 -109592.0721 299.1267 -161641.1450 -109233.9843 299.1205 50.5593 81.7733 760293.3422 -3.7355 -3.5666 PRESSURE: 1501400 -259.24 -74.7733 -28.5238 -74.7727 -60.149 -15.3486 -28.5235 -15.3502 69.5996 GPRESSURE: 1501400 -281.344 -118.058 -103.01 -11.5722 -42.1172 27.9024 -3.33821 -21.3264 150.794 PRESSAVG: 1501400 25.7729 -64.1471 -1.23469 -64.1471 -36.9299 -25.4965 -1.23474 -25.4965 7.98028 GPRESSAVG: 1501400 26.3281 -65.7618 -1.79948 -63.0209 -37.141 -25.8431 -0.535399 -22.8691 7.51551 TIMING: 1501400 CPU: 4778.01, 0.00319265/step Wall: 4778.01, 0.00319265/step, 3.10273 hours remaining, 238.214844 MB of memory in use. ENERGY: 1501400 3999.8607 20552.7760 14479.4917 237.0428 -203543.0166 2647.6905 0.0000 0.0000 52148.7171 -109477.4378 299.6994 -161626.1549 -109115.0834 299.0006 -83.2630 -57.5557 761457.1786 -1.0589 -1.0991 PRESSURE: 1501600 14.7243 173.859 -242.064 173.86 26.0312 35.674 -242.063 35.6748 79.7769 GPRESSURE: 1501600 63.7936 168.338 -205.347 155.481 36.2513 -4.51606 -182.479 -1.36329 86.1533 PRESSAVG: 1501600 -17.5549 -18.549 20.9359 -18.5491 16.8407 31.966 20.936 31.9661 -18.7524 GPRESSAVG: 1501600 -17.8442 -17.3108 19.3823 -18.8077 16.6512 31.5651 23.1317 31.3713 -18.1985 TIMING: 1501600 CPU: 4778.65, 0.00319648/step Wall: 4778.65, 0.00319648/step, 3.10627 hours remaining, 238.214844 MB of memory in use. ENERGY: 1501600 3993.3572 20605.7874 14465.8241 230.2736 -203008.4414 2350.3990 0.0000 0.0000 52140.3224 -109222.4777 299.6511 -161362.8001 -108858.4405 299.3142 40.1775 62.0660 759970.4342 -6.4889 -6.4638 PRESSURE: 1501800 -222.651 -51.5038 105.208 -51.5031 21.368 246.913 105.207 246.914 -491.004 GPRESSURE: 1501800 -127.484 94.9213 78.8576 -53.1278 18.5295 186.837 99.5767 232.603 -502.313 PRESSAVG: 1501800 17.5128 -9.68623 23.4445 -9.68617 -21.0314 -44.4592 23.4445 -44.4592 -5.37161 GPRESSAVG: 1501800 17.4657 -11.1817 23.8842 -8.02075 -21.3746 -44.1193 22.534 -46.1107 -5.88764 TIMING: 1501800 CPU: 4779.29, 0.00319809/step Wall: 4779.29, 0.00319809/step, 3.10765 hours remaining, 238.214844 MB of memory in use. ENERGY: 1501800 3996.8135 20437.8430 14534.4293 262.5263 -203203.4160 2608.5924 0.0000 0.0000 52235.2661 -109127.9455 300.1968 -161363.2116 -108775.2482 299.6128 -230.7624 -203.7557 763276.7729 -2.9634 -3.2655 PRESSURE: 1502000 13.275 -117.443 -224.795 -117.443 26.4403 -217.551 -224.795 -217.553 -73.2238 GPRESSURE: 1502000 -5.12747 -149.908 -170.865 -46.4121 145.599 -176.058 -252.572 -133.629 -89.5956 PRESSAVG: 1502000 55.5707 7.35093 9.89132 7.35094 1.79584 -56.5307 9.89127 -56.5307 -3.7836 GPRESSAVG: 1502000 56.0003 5.85235 12.0999 6.59851 1.97031 -57.1723 8.77467 -55.2953 -4.01124 TIMING: 1502000 CPU: 4779.93, 0.00319747/step Wall: 4779.93, 0.00319747/step, 3.10688 hours remaining, 238.214844 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: 1502000 3966.3244 20561.5145 14421.3347 269.6421 -203222.9302 2466.0863 0.0000 0.0000 51950.8587 -109587.1694 298.5623 -161538.0281 -109227.1538 299.4280 -11.1695 16.9586 761456.9178 17.8610 17.9864 PRESSURE: 1502200 -79.3786 -166.903 239.87 -166.903 25.4698 281.142 239.87 281.141 -238.079 GPRESSURE: 1502200 -57.905 -111.14 247.813 -104.362 20.9769 238.633 230.571 102.304 -176.499 PRESSAVG: 1502200 -35.7808 -50.3408 -17.5439 -50.3408 25.9538 27.8421 -17.5439 27.8422 -30.6419 GPRESSAVG: 1502200 -36.3547 -48.8676 -18.7872 -52.1835 26.3486 28.1917 -16.3094 27.0449 -30.1214 TIMING: 1502200 CPU: 4780.57, 0.00320685/step Wall: 4780.57, 0.00320685/step, 3.11581 hours remaining, 238.214844 MB of memory in use. ENERGY: 1502200 4030.3917 20503.5521 14436.5478 244.6157 -203338.5623 2511.6648 0.0000 0.0000 51941.5704 -109670.2198 298.5089 -161611.7903 -109308.7108 299.0866 -97.3293 -71.1423 762036.9417 -13.4897 -13.3759 PRESSURE: 1502400 -35.5822 53.8741 -17.3227 53.8741 -67.8943 -37.2421 -17.3225 -37.2431 -185.371 GPRESSURE: 1502400 -20.1269 87.2962 -28.2843 116.614 20.1112 -100.715 -52.7903 -21.9359 -208.614 PRESSAVG: 1502400 -11.0184 -39.3275 -2.44071 -39.3275 31.8161 -13.6988 -2.44067 -13.6988 5.85934 GPRESSAVG: 1502400 -10.4889 -39.4807 -2.77905 -38.0162 33.2843 -14.8188 -3.73957 -14.4539 4.90461 TIMING: 1502400 CPU: 4781.21, 0.0031955/step Wall: 4781.21, 0.0031955/step, 3.10461 hours remaining, 238.214844 MB of memory in use. ENERGY: 1502400 3891.1761 20396.3524 14500.1508 255.7790 -203121.8927 2486.3793 0.0000 0.0000 52264.6582 -109327.3969 300.3657 -161592.0551 -108958.4220 298.9687 -96.2826 -69.5432 762757.5348 8.8857 9.2333 PRESSURE: 1502600 48.2017 45.5709 -34.254 45.572 -200.103 -180.03 -34.2541 -180.03 -310.157 GPRESSURE: 1502600 52.6567 12.4906 38.8962 44.8112 -201.917 -117.858 -90.6226 -191.006 -244.115 PRESSAVG: 1502600 15.9206 -75.3762 -6.13612 -75.3762 -41.0167 -33.2298 -6.13614 -33.2298 10.3709 GPRESSAVG: 1502600 16.6953 -74.1662 -6.45663 -75.0379 -42.967 -32.8211 -6.40407 -31.7519 11.5905 TIMING: 1502600 CPU: 4781.84, 0.00319073/step Wall: 4781.84, 0.00319073/step, 3.09979 hours remaining, 238.214844 MB of memory in use. ENERGY: 1502600 3956.6045 20525.0616 14444.1652 245.1977 -202750.7293 2237.0923 0.0000 0.0000 51919.0462 -109423.5618 298.3795 -161342.6080 -109056.3434 299.3094 -154.0192 -131.1253 762143.0648 -4.9084 -4.8937 PRESSURE: 1502800 -215.675 131.957 -54.1134 131.957 -188.654 -99.6905 -54.1143 -99.6913 -304.189 GPRESSURE: 1502800 -226.251 18.1453 -6.93003 115.02 -154.868 -58.7051 2.57499 -99.1736 -227.221 PRESSAVG: 1502800 -15.3687 -67.0364 -2.80697 -67.0365 24.3628 15.123 -2.80703 15.1229 20.3252 GPRESSAVG: 1502800 -16.3392 -67.5127 -1.72547 -70.9215 24.9445 15.428 -2.34718 16.8054 21.1621 TIMING: 1502800 CPU: 4782.48, 0.0031991/step Wall: 4782.48, 0.0031991/step, 3.10775 hours remaining, 238.214844 MB of memory in use. ENERGY: 1502800 4013.0876 20585.6433 14399.9013 241.5383 -202984.7995 2251.9480 0.0000 0.0000 51968.0489 -109524.6321 298.6611 -161492.6810 -109150.7608 298.8223 -236.1726 -202.7800 763399.6352 9.7731 9.9225 PRESSURE: 1503000 -165.565 -130.304 -44.2497 -130.306 -2.32212 -106.402 -44.25 -106.402 97.9384 GPRESSURE: 1503000 -120.524 -88.6452 -8.81158 -98.6542 -69.2377 -116.824 -81.1747 -196.246 209.401 PRESSAVG: 1503000 -41.9139 -55.0473 -37.1638 -55.0473 23.402 -8.6703 -37.1638 -8.67035 6.83625 GPRESSAVG: 1503000 -41.7573 -56.852 -38.3206 -52.6465 24.0544 -7.75791 -35.4352 -11.1051 6.11039 TIMING: 1503000 CPU: 4783.13, 0.00321251/step Wall: 4783.13, 0.00321251/step, 3.1206 hours remaining, 238.214844 MB of memory in use. ENERGY: 1503000 3975.9842 20490.1393 14465.4623 250.9058 -203775.1532 2899.6785 0.0000 0.0000 52251.7522 -109441.2308 300.2915 -161692.9831 -109076.4044 299.4425 -23.3163 6.5463 761647.2938 -3.8919 -3.8642 PRESSURE: 1503200 131.698 -7.49573 -22.9096 -7.49432 188.373 -106.923 -22.9094 -106.924 188.468 GPRESSURE: 1503200 186.207 -15.6685 -46.6572 -115.509 239.473 -129.006 3.83936 -30.8178 171.193 PRESSAVG: 1503200 3.8339 -31.4539 24.0619 -31.4538 23.9265 -36.0564 24.062 -36.0566 -11.0609 GPRESSAVG: 1503200 3.40253 -29.8812 23.5249 -31.7017 24.1542 -38.6418 23.2859 -31.0009 -10.2926 TIMING: 1503200 CPU: 4783.77, 0.00319136/step Wall: 4783.77, 0.00319136/step, 3.09987 hours remaining, 238.214844 MB of memory in use. ENERGY: 1503200 3965.3651 20516.4805 14502.0558 254.5293 -203301.9055 2482.4228 0.0000 0.0000 51988.4210 -109592.6309 298.7782 -161581.0519 -109228.8527 298.8743 169.5134 198.9578 761102.6496 5.5665 5.7547 PRESSURE: 1503400 -177.537 131.263 -89.5906 131.262 -245.265 -103.513 -89.591 -103.513 -34.1147 GPRESSURE: 1503400 -166.551 50.5089 -122.268 26.4225 -213.18 -22.108 -47.3789 -295.159 15.7536 PRESSAVG: 1503400 24.7801 -25.6866 -36.5164 -25.6867 -14.0869 -63.0049 -36.5163 -63.005 8.54885 GPRESSAVG: 1503400 24.6436 -26.0637 -35.9165 -25.9832 -14.7968 -60.7138 -37.4192 -67.9992 9.53115 TIMING: 1503400 CPU: 4784.41, 0.00321291/step Wall: 4784.41, 0.00321291/step, 3.12062 hours remaining, 238.214844 MB of memory in use. ENERGY: 1503400 3954.0252 20567.9147 14494.2701 252.2112 -203493.7591 2598.5228 0.0000 0.0000 51809.7877 -109817.0274 297.7516 -161626.8151 -109450.0629 298.6999 -152.3059 -121.3259 760401.0321 6.4140 6.4593 PRESSURE: 1503600 -110.661 -227.015 54.5226 -227.014 74.9631 -224.862 54.5221 -224.861 245.372 GPRESSURE: 1503600 -84.3726 -221.139 57.3993 -120.494 170.992 -246.69 28.5553 -160.499 215.263 PRESSAVG: 1503600 5.37744 -13.5489 -37.7407 -13.5489 -13.5092 12.3819 -37.7407 12.3819 1.57564 GPRESSAVG: 1503600 5.52615 -13.8232 -37.1916 -11.4348 -12.08 11.7191 -37.3948 13.1033 -0.0263948 TIMING: 1503600 CPU: 4785.05, 0.00321747/step Wall: 4785.05, 0.00321747/step, 3.12488 hours remaining, 238.214844 MB of memory in use. ENERGY: 1503600 3991.1861 20332.2487 14443.4654 258.2802 -203336.2747 2410.3999 0.0000 0.0000 52035.0674 -109865.6270 299.0462 -161900.6943 -109496.3898 298.4436 69.8913 100.6274 760059.0667 -2.1854 -2.1934 PRESSURE: 1503800 66.5832 -217.022 -111.111 -217.021 310.427 110.912 -111.11 110.911 -64.3377 GPRESSURE: 1503800 163.819 -169.368 -103.445 -211.071 256.164 -8.81737 -63.9904 179.978 -43.5968 PRESSAVG: 1503800 -42.9476 -87.6196 -24.5486 -87.6197 -8.29595 -3.8861 -24.5485 -3.88611 -9.79868 GPRESSAVG: 1503800 -42.6496 -87.3694 -24.9708 -88.7626 -8.49474 -4.31772 -24.4933 -4.69912 -10.6121 TIMING: 1503800 CPU: 4785.7, 0.0032177/step Wall: 4785.7, 0.0032177/step, 3.12492 hours remaining, 238.214844 MB of memory in use. ENERGY: 1503800 3970.0857 20400.4493 14459.1078 252.5285 -203439.3724 2592.5077 0.0000 0.0000 51961.0319 -109803.6615 298.6208 -161764.6934 -109443.6518 298.2347 104.2243 125.4622 759354.7116 -20.3474 -20.5855 PRESSURE: 1504000 237.964 -39.4152 -213.184 -39.4158 298.995 105.536 -213.185 105.535 428.791 GPRESSURE: 1504000 321.045 50.2967 -136.861 -49.9873 246.293 46.8922 -187.341 93.4503 496.002 PRESSAVG: 1504000 -5.09411 -92.8988 0.430202 -92.8988 -6.42504 -25.4983 0.430212 -25.4984 13.2586 GPRESSAVG: 1504000 -4.30164 -91.4894 0.578636 -91.3456 -7.15708 -28.1436 2.3731 -21.8754 13.6563 TIMING: 1504000 CPU: 4786.34, 0.00320068/step Wall: 4786.34, 0.00320068/step, 3.10822 hours remaining, 238.214844 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: 1504000 3969.4676 20459.7506 14495.4645 239.0555 -203923.4952 2977.1222 0.0000 0.0000 52113.9927 -109668.6419 299.4998 -161782.6346 -109308.2790 298.7234 321.9167 354.4466 758511.2409 0.5798 0.7325 PRESSURE: 1504200 448.078 23.6348 5.14032 23.6347 -150.333 132.737 5.13934 132.737 587.751 GPRESSURE: 1504200 391.518 122.696 33.1701 -97.3688 -31.9344 102.827 -68.5499 12.0875 638.178 PRESSAVG: 1504200 42.5089 -54.6565 42.4777 -54.6564 -32.2637 53.2243 42.4777 53.2243 -16.3786 GPRESSAVG: 1504200 43.2551 -55.5097 43.675 -53.6726 -33.0452 56.2707 42.1265 51.2702 -16.3217 TIMING: 1504200 CPU: 4786.98, 0.00322402/step Wall: 4786.98, 0.00322402/step, 3.13071 hours remaining, 238.214844 MB of memory in use. ENERGY: 1504200 4037.1695 20518.7757 14455.8153 257.4004 -203549.7386 2488.6925 0.0000 0.0000 52218.4817 -109573.4035 300.1003 -161791.8852 -109218.2005 299.2634 295.1653 332.5870 760568.5083 -2.0445 -2.0373 LDB: ============= START OF LOAD BALANCING ============== 4799.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4799.44 LDB: =============== DONE WITH MIGRATION ================ 4799.44 LDB: ============= START OF LOAD BALANCING ============== 4799.76 LDB: Largest compute 7060 load 0.038572 is 19.8% of average load 0.195059 LDB: Average compute 0.004432 is 2.3% of average load 0.195059 LDB: TIME 4799.77 LOAD: AVG 0.195059 MAX 0.222161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 4799.77 LOAD: AVG 0.195059 MAX 0.222161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: TIME 4799.77 LOAD: AVG 0.195059 MAX 0.214942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: ============== END OF LOAD BALANCING =============== 4799.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4799.77 PRESSURE: 1504400 54.2099 71.1997 42.483 71.1999 101.254 -59.9034 42.4835 -59.9028 46.2893 GPRESSURE: 1504400 11.7491 52.7105 86.9962 38.5913 145.517 -21.3849 -5.78721 43.866 131.432 PRESSAVG: 1504400 43.1853 -103.202 0.187841 -103.201 -32.0261 6.69214 0.187883 6.69222 -8.71778 GPRESSAVG: 1504400 41.7492 -102.142 0.242371 -104.188 -31.0526 5.32633 -2.71621 7.29484 -8.35063 TIMING: 1504400 CPU: 4787.64, 0.00329645/step Wall: 4787.64, 0.00329645/step, 3.20085 hours remaining, 238.152344 MB of memory in use. ENERGY: 1504400 3925.6147 20519.7150 14431.5910 244.3295 -203637.7361 2652.6254 0.0000 0.0000 52245.2171 -109618.6435 300.2540 -161863.8605 -109248.1666 299.2429 67.2511 96.2326 762934.2083 0.8138 0.7820 PRESSURE: 1504600 -83.2854 -117.096 88.8373 -117.095 114.105 -42.1419 88.8376 -42.1421 181.547 GPRESSURE: 1504600 -42.7224 -4.47863 44.1554 -9.86863 161.764 -28.6254 -0.299424 -60.9128 167.575 PRESSAVG: 1504600 -55.0566 -54.88 24.3584 -54.8801 85.6589 -19.5846 24.3584 -19.5847 3.79236 GPRESSAVG: 1504600 -55.3128 -54.5649 22.6735 -55.6632 86.2467 -19.3325 27.0936 -20.9373 3.27196 TIMING: 1504600 CPU: 4788.29, 0.00326469/step Wall: 4788.29, 0.00326469/step, 3.16983 hours remaining, 238.152344 MB of memory in use. ENERGY: 1504600 3984.1342 20519.9424 14489.1200 257.9784 -204029.8390 3026.8497 0.0000 0.0000 52113.1788 -109638.6356 299.4952 -161751.8144 -109285.2137 299.5311 70.7891 95.5390 760198.6205 11.4649 11.4019 PRESSURE: 1504800 -21.3006 4.2506 98.1576 4.25047 421.173 45.3726 98.1582 45.3723 -388.328 GPRESSURE: 1504800 -12.881 25.4692 132.913 -77.681 401.47 54.8081 238.343 -16.7264 -307.569 PRESSAVG: 1504800 -47.863 -19.3816 32.9414 -19.3815 55.3383 19.3325 32.9415 19.3324 30.5423 GPRESSAVG: 1504800 -47.3213 -19.6773 33.6669 -19.9914 54.2241 21.3036 34.2341 17.932 30.9184 TIMING: 1504800 CPU: 4788.94, 0.00326072/step Wall: 4788.94, 0.00326072/step, 3.16579 hours remaining, 238.152344 MB of memory in use. ENERGY: 1504800 4028.9297 20593.1956 14542.1615 239.1882 -204084.5791 3086.5599 0.0000 0.0000 52015.1362 -109579.4080 298.9317 -161594.5443 -109215.2362 299.5496 3.8479 27.0067 761577.5618 12.6725 12.6071 PRESSURE: 1505000 -370.402 72.2338 26.9649 72.2329 -327.706 -317.624 26.9652 -317.624 -350.986 GPRESSURE: 1505000 -289.76 92.7173 0.782389 -75.4638 -333.399 -273.585 48.0883 -319.73 -340.15 PRESSAVG: 1505000 -66.8646 -72.3837 29.31 -72.3836 92.0608 14.7025 29.3099 14.7025 1.61286 GPRESSAVG: 1505000 -66.5476 -71.1328 28.7184 -74.3129 91.1695 14.0226 28.3379 15.2848 2.33957 TIMING: 1505000 CPU: 4789.59, 0.00322442/step Wall: 4789.59, 0.00322442/step, 3.13037 hours remaining, 238.152344 MB of memory in use. ENERGY: 1505000 4021.0923 20598.2236 14420.0159 240.7122 -203316.6967 2437.5644 0.0000 0.0000 51729.2083 -109869.8801 297.2885 -161599.0883 -109505.1775 298.6360 -349.6984 -321.1028 763663.2244 8.9364 8.9872 PRESSURE: 1505200 -116.696 -66.5971 -80.346 -66.5971 160.084 78.7775 -80.3468 78.7768 149.861 GPRESSURE: 1505200 -80.336 -63.6369 -151.935 -78.0372 267.722 73.3846 -85.3522 37.2578 88.3711 PRESSAVG: 1505200 -19.8803 -60.6126 58.0207 -60.6126 45.9175 -33.643 58.0207 -33.643 -0.550649 GPRESSAVG: 1505200 -19.336 -63.2023 58.3861 -58.5989 48.0953 -32.4225 58.0447 -35.0964 -3.03419 TIMING: 1505200 CPU: 4790.23, 0.00319083/step Wall: 4790.23, 0.00319083/step, 3.09758 hours remaining, 238.152344 MB of memory in use. ENERGY: 1505200 3865.5620 20325.5505 14468.1689 241.4655 -203911.4949 2897.2074 0.0000 0.0000 51990.0454 -110123.4952 298.7875 -162113.5406 -109752.3095 298.0998 64.4162 91.9192 760918.9671 8.4955 8.5750 PRESSURE: 1505400 -18.0088 -231.068 -117.827 -231.069 -35.542 -123.721 -117.827 -123.72 81.9833 GPRESSURE: 1505400 -21.7819 -125.993 -204.777 -131.551 10.1147 -117.846 36.796 -57.3935 102.851 PRESSAVG: 1505400 -41.3154 -76.6886 -23.0817 -76.6886 1.8601 -17.2114 -23.0818 -17.2115 10.9034 GPRESSAVG: 1505400 -41.8603 -74.1436 -23.6962 -76.4153 0.841513 -20.2397 -23.8557 -15.1671 12.0311 TIMING: 1505400 CPU: 4790.87, 0.00321134/step Wall: 4790.87, 0.00321134/step, 3.11732 hours remaining, 238.152344 MB of memory in use. ENERGY: 1505400 3945.4582 20554.9454 14537.2879 260.0463 -203778.8499 2525.3940 0.0000 0.0000 51929.3894 -110026.3287 298.4389 -161955.7181 -109668.6762 297.8356 9.4775 30.3946 760743.5719 -9.5173 -9.6626 PRESSURE: 1505600 314.956 -110.294 -102.724 -110.294 208.797 -215.081 -102.724 -215.081 553.212 GPRESSURE: 1505600 340.164 -186.26 -75.1273 -52.6021 238.447 -157.886 -112.578 -250.568 591.339 PRESSAVG: 1505600 -12.8435 -67.6072 5.52095 -67.6072 21.7723 -2.13501 5.52095 -2.13497 -15.7257 GPRESSAVG: 1505600 -13.4352 -70.5205 7.63842 -66.8415 22.7473 -0.776327 4.05423 -1.95 -15.8256 TIMING: 1505600 CPU: 4791.51, 0.003194/step Wall: 4791.51, 0.003194/step, 3.10031 hours remaining, 238.152344 MB of memory in use. ENERGY: 1505600 3883.8572 20387.8211 14524.7417 259.5759 -203765.2285 2608.5614 0.0000 0.0000 52072.6561 -110028.0151 299.2623 -162100.6712 -109662.4403 297.8069 358.9885 389.9831 760323.3281 -2.2656 -2.1712 PRESSURE: 1505800 155.286 6.98637 -111.519 6.9866 -47.6834 -59.2691 -111.52 -59.2701 179.242 GPRESSURE: 1505800 158.415 -33.7984 -219.228 89.5478 -13.9455 -36.5949 -103.279 -108.183 237.18 PRESSAVG: 1505800 2.14637 -51.5888 -20.4408 -51.5889 5.08483 -75.1821 -20.4408 -75.1821 6.84608 GPRESSAVG: 1505800 1.423 -50.3126 -22.0528 -51.864 6.05571 -76.073 -20.7907 -76.6646 6.6729 TIMING: 1505800 CPU: 4792.15, 0.00319642/step Wall: 4792.15, 0.00319642/step, 3.10248 hours remaining, 238.152344 MB of memory in use. ENERGY: 1505800 3996.7093 20665.9631 14515.8890 237.3498 -203755.4074 2690.4070 0.0000 0.0000 51745.1802 -109903.9090 297.3803 -161649.0892 -109538.5565 298.0940 95.6148 127.2166 760421.6702 4.6924 4.7172 PRESSURE: 1506000 81.0595 -5.3334 19.8976 -5.3329 111.863 -35.4268 19.8977 -35.428 211.413 GPRESSURE: 1506000 119.742 82.678 -24.9162 -37.5069 189.7 -76.5671 16.4011 27.2316 167.13 PRESSAVG: 1506000 -16.3492 -44.8289 14.3325 -44.8289 -31.2392 -42.8861 14.3325 -42.886 2.17101 GPRESSAVG: 1506000 -15.769 -44.2193 14.9949 -46.3794 -32.4075 -41.1081 14.3832 -40.8951 2.50602 TIMING: 1506000 CPU: 4792.79, 0.00320792/step Wall: 4792.79, 0.00320792/step, 3.11346 hours remaining, 238.152344 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: 1506000 3997.6741 20400.3478 14505.5682 234.3977 -203803.6647 2866.4719 0.0000 0.0000 52117.0710 -109682.1341 299.5175 -161799.2050 -109302.4098 298.9270 134.7784 158.8573 762930.0288 -15.1391 -15.2235 PRESSURE: 1506200 261.15 145.837 -37.9122 145.836 226.208 -70.2421 -37.9118 -70.2431 318.698 GPRESSURE: 1506200 273.492 69.9318 19.3503 125.844 295.282 -3.20994 -97.7865 -116.334 320.699 PRESSAVG: 1506200 25.4783 -34.8295 -24.6015 -34.8295 -31.4889 -20.1594 -24.6015 -20.1594 -15.9114 GPRESSAVG: 1506200 25.3784 -37.5502 -24.9561 -33.0704 -31.0327 -20.6707 -23.4765 -21.6134 -15.8571 TIMING: 1506200 CPU: 4793.43, 0.00319832/step Wall: 4793.43, 0.00319832/step, 3.10397 hours remaining, 238.152344 MB of memory in use. ENERGY: 1506200 3990.6649 20549.8699 14474.8530 242.4782 -203874.5740 2999.5412 0.0000 0.0000 52038.1658 -109579.0010 299.0641 -161617.1668 -109217.6805 298.9117 268.6854 296.4910 762163.7237 -7.3073 -7.1704 PRESSURE: 1506400 -73.8893 -318.15 -37.9146 -318.151 -133.052 -32.5941 -37.9158 -32.5941 -54.9653 GPRESSURE: 1506400 -150.902 -295.849 -71.4151 -314.343 -50.6361 -111.405 23.706 30.501 4.27457 PRESSAVG: 1506400 -1.11042 -21.171 60.0243 -21.171 -7.39903 5.01568 60.0243 5.01569 2.95704 GPRESSAVG: 1506400 -1.22703 -18.255 60.7175 -22.1316 -7.88587 4.83188 59.477 6.24148 3.09272 TIMING: 1506400 CPU: 4794.07, 0.00319626/step Wall: 4794.07, 0.00319626/step, 3.10179 hours remaining, 238.152344 MB of memory in use. ENERGY: 1506400 3931.7948 20546.6747 14534.1238 269.9093 -203174.3630 2627.8299 0.0000 0.0000 51722.1426 -109541.8879 297.2479 -161264.0305 -109174.9139 298.8933 -87.3022 -65.7546 763004.2540 -1.8508 -2.0067 PRESSURE: 1506600 -253.111 89.6158 0.617348 89.6155 181.031 34.3823 0.61743 34.383 -229.016 GPRESSURE: 1506600 -176.852 89.935 68.5916 99.2535 64.4996 15.9569 -27.2126 65.4727 -92.5403 PRESSAVG: 1506600 -4.48825 -106.947 -8.37454 -106.947 -11.8528 -0.969798 -8.37454 -0.969705 5.61887 GPRESSAVG: 1506600 -5.42245 -108.822 -9.37732 -108.408 -11.1511 -0.392793 -8.62006 -1.45057 5.83771 TIMING: 1506600 CPU: 4794.71, 0.00318577/step Wall: 4794.71, 0.00318577/step, 3.09143 hours remaining, 238.152344 MB of memory in use. ENERGY: 1506600 4014.8918 20458.2534 14408.8969 253.5991 -203045.4372 2536.6366 0.0000 0.0000 51861.2316 -109511.9277 298.0472 -161373.1593 -109150.5582 298.9329 -100.3654 -68.2977 761997.9043 -3.5740 -3.5786 PRESSURE: 1506800 -120.635 169.534 -183.785 169.535 -81.6942 -161.662 -183.785 -161.662 -46.3265 GPRESSURE: 1506800 8.77016 121.954 -155.004 -6.30285 -129.262 -137.059 -136.647 -250.232 -32.6208 PRESSAVG: 1506800 10.8942 -23.7802 17.9156 -23.7802 -7.43276 11.6125 17.9156 11.6125 -14.6372 GPRESSAVG: 1506800 11.0657 -22.1352 19.5669 -24.8042 -8.09527 11.3118 16.409 11.8728 -14.5072 TIMING: 1506800 CPU: 4795.34, 0.00319585/step Wall: 4795.34, 0.00319585/step, 3.10104 hours remaining, 238.152344 MB of memory in use. ENERGY: 1506800 4028.5805 20495.3683 14466.6302 253.6309 -203645.7684 2864.9640 0.0000 0.0000 51886.1111 -109650.4834 298.1902 -161536.5945 -109290.2049 298.8082 -82.8853 -51.0377 761630.9131 -3.7252 -3.8456 PRESSURE: 1507000 -7.48872 -114.695 -22.9438 -114.695 -202.576 -18.0354 -22.943 -18.0357 -234.22 GPRESSURE: 1507000 39.6728 -51.816 -78.6559 -177.409 -163.441 -172.814 -6.48229 -86.8105 -221.194 PRESSAVG: 1507000 -33.9974 -33.7548 6.34077 -33.7548 7.89915 -28.0805 6.34076 -28.0805 19.8451 GPRESSAVG: 1507000 -32.3881 -36.3285 4.60751 -32.231 7.38197 -29.3522 8.62378 -27.9048 19.4787 TIMING: 1507000 CPU: 4795.98, 0.00317105/step Wall: 4795.98, 0.00317105/step, 3.0768 hours remaining, 238.152344 MB of memory in use. ENERGY: 1507000 4052.8492 20548.3302 14539.5446 253.4991 -203297.4774 2621.7717 0.0000 0.0000 51845.5835 -109435.8991 297.9573 -161281.4826 -109082.1623 298.3289 -148.0951 -114.9875 762578.5019 -2.0844 -1.8425 PRESSURE: 1507200 173.633 149.871 -47.0758 149.871 -125.215 -172.581 -47.0756 -172.581 12.2272 GPRESSURE: 1507200 117.033 30.8352 -103.257 127.48 -76.8761 -197.419 -61.4458 -112.786 87.6109 PRESSAVG: 1507200 29.3741 -21.5338 -23.1009 -21.5338 -22.6749 -38.9022 -23.101 -38.9022 -7.2518 GPRESSAVG: 1507200 28.0571 -20.375 -22.8036 -19.9318 -21.4104 -37.6723 -23.1374 -39.2256 -7.74232 TIMING: 1507200 CPU: 4796.61, 0.00317591/step Wall: 4796.61, 0.00317591/step, 3.08134 hours remaining, 238.152344 MB of memory in use. ENERGY: 1507200 3998.4230 20464.6078 14596.8505 260.2537 -203515.4739 2728.3500 0.0000 0.0000 51864.8588 -109602.1300 298.0681 -161466.9888 -109244.4361 298.9673 20.2151 42.5893 762528.6622 -0.1842 -0.3652 PRESSURE: 1507400 119.22 39.8443 -150.287 39.8448 -57.9549 140.556 -150.287 140.557 -215.612 GPRESSURE: 1507400 110.433 16.5507 -132.058 118.784 -7.97642 195.761 -108.568 119.639 -174.288 PRESSAVG: 1507400 14.9334 -75.1299 -11.2179 -75.13 -22.6812 -21.3887 -11.2179 -21.3887 1.23167 GPRESSAVG: 1507400 14.2753 -74.691 -10.0328 -75.0153 -23.5863 -21.1919 -10.5459 -19.9607 2.26013 TIMING: 1507400 CPU: 4797.25, 0.00319086/step Wall: 4797.25, 0.00319086/step, 3.09567 hours remaining, 238.152344 MB of memory in use. ENERGY: 1507400 4053.7310 20493.2170 14557.9155 244.6774 -203432.8668 2559.8964 0.0000 0.0000 52154.1946 -109369.2350 299.7309 -161523.4296 -108999.8088 298.6327 -51.4490 -23.9440 762229.8341 -2.1720 -2.3503 PRESSURE: 1507600 -224.233 -96.9362 159.904 -96.9361 -240.54 210.839 159.904 210.84 -455.257 GPRESSURE: 1507600 -159.003 -134.562 134.931 -33.9341 -313.166 203.503 81.5715 101.668 -367.792 PRESSAVG: 1507600 85.4512 -30.7324 5.70611 -30.7323 -58.6098 12.6666 5.70606 12.6666 0.346594 GPRESSAVG: 1507600 86.1585 -30.7315 5.06458 -29.7102 -59.1164 12.3174 4.6517 10.8083 0.464642 TIMING: 1507600 CPU: 4797.89, 0.00318662/step Wall: 4797.89, 0.00318662/step, 3.09137 hours remaining, 238.152344 MB of memory in use. ENERGY: 1507600 4040.5482 20490.5878 14476.5132 235.6171 -203522.7029 2559.4435 0.0000 0.0000 52276.6554 -109443.3378 300.4347 -161719.9932 -109076.8833 299.0226 -306.6765 -279.9870 763221.0494 9.0627 9.1689 PRESSURE: 1507800 -107.467 78.4364 -77.3764 78.4353 -36.5416 -33.0749 -77.3769 -33.0754 -157.155 GPRESSURE: 1507800 -50.3628 87.6552 17.6677 125.232 -6.21834 -123.024 -118.833 149.939 -162.181 PRESSAVG: 1507800 2.61645 -28.6513 -43.0942 -28.6513 -28.1744 -38.1279 -43.0941 -38.1279 33.6058 GPRESSAVG: 1507800 2.54198 -29.6047 -41.7931 -29.0934 -27.27 -39.0082 -44.4112 -36.6328 32.5398 TIMING: 1507800 CPU: 4798.53, 0.00320695/step Wall: 4798.53, 0.00320695/step, 3.11092 hours remaining, 238.152344 MB of memory in use. ENERGY: 1507800 3945.7856 20415.4600 14462.4212 261.1182 -203162.2190 2575.0125 0.0000 0.0000 52123.9789 -109378.4425 299.5572 -161502.4214 -109014.6061 299.4606 -100.3877 -72.9207 762500.5157 2.6826 2.6039 PRESSURE: 1508000 9.21967 60.8378 -75.2705 60.8373 130.141 -11.1007 -75.2706 -11.1002 -2.55333 GPRESSURE: 1508000 31.4614 4.45726 -70.7926 41.8635 107.642 -88.216 4.28918 -43.4209 92.2818 PRESSAVG: 1508000 -28.3375 25.263 -22.8469 25.263 -28.1709 -0.550941 -22.8469 -0.550909 6.37961 GPRESSAVG: 1508000 -27.4522 26.2629 -24.1956 24.0257 -28.7758 -1.9764 -21.8693 -0.236695 5.48483 TIMING: 1508000 CPU: 4799.18, 0.00322414/step Wall: 4799.18, 0.00322414/step, 3.12742 hours remaining, 238.152344 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: 1508000 4026.1765 20486.7521 14517.4434 246.8126 -203219.4683 2463.1241 0.0000 0.0000 52058.5510 -109420.6087 299.1812 -161479.1596 -109055.3477 299.0406 45.6025 77.1285 761339.8980 -16.7096 -16.9144 PRESSURE: 1508200 -333.465 37.9852 255.188 37.985 -134.468 -135.072 255.188 -135.072 -316.929 GPRESSURE: 1508200 -260.598 -3.4096 169.668 41.5307 -136.737 -144.628 188.481 -189.731 -278.326 PRESSAVG: 1508200 3.96917 3.08685 -27.3846 3.08679 28.5474 -14.3045 -27.3846 -14.3044 0.930408 GPRESSAVG: 1508200 3.06465 3.59937 -28.275 2.91925 28.6126 -11.7819 -26.5644 -15.3798 1.85027 TIMING: 1508200 CPU: 4799.82, 0.00322033/step Wall: 4799.82, 0.00322033/step, 3.12354 hours remaining, 238.152344 MB of memory in use. ENERGY: 1508200 4022.5988 20366.1618 14441.5965 244.6925 -203057.2592 2394.0869 0.0000 0.0000 51961.1416 -109626.9812 298.6214 -161588.1228 -109261.0656 299.3263 -261.6208 -225.2203 762197.3346 11.1490 11.1758 LDB: ============= START OF LOAD BALANCING ============== 4812.28 LDB: ============== END OF LOAD BALANCING =============== 4812.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4812.28 LDB: ============= START OF LOAD BALANCING ============== 4812.6 LDB: Largest compute 7032 load 0.036645 is 18.8% of average load 0.195200 LDB: Average compute 0.004439 is 2.3% of average load 0.195200 LDB: TIME 4812.6 LOAD: AVG 0.1952 MAX 0.218169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.363 MB LDB: TIME 4812.6 LOAD: AVG 0.1952 MAX 0.218169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: TIME 4812.6 LOAD: AVG 0.1952 MAX 0.217304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: ============== END OF LOAD BALANCING =============== 4812.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4812.61 PRESSURE: 1508400 21.4728 -114.078 -143.867 -114.078 -207.502 121.663 -143.867 121.663 -222.772 GPRESSURE: 1508400 77.3656 -74.4341 -37.4177 -60.548 -151.297 61.469 -90.2334 242.276 -241.788 PRESSAVG: 1508400 24.131 -37.5668 -1.15037 -37.5668 -42.9851 29.1995 -1.15029 29.1995 -26.0829 GPRESSAVG: 1508400 24.0346 -37.994 -1.0235 -37.0449 -42.5037 29.8353 -1.45196 30.5033 -26.6805 TIMING: 1508400 CPU: 4800.47, 0.00327473/step Wall: 4800.47, 0.00327473/step, 3.17612 hours remaining, 238.152344 MB of memory in use. ENERGY: 1508400 3984.9418 20355.3898 14436.9217 243.6989 -202911.2228 2441.1736 0.0000 0.0000 51865.2877 -109583.8093 298.0705 -161449.0970 -109214.0303 298.6595 -136.2671 -105.2397 762903.6230 -14.9790 -15.0499 PRESSURE: 1508600 101.618 74.076 1.23934 74.0754 -46.7286 -31.4906 1.23984 -31.4896 22.7189 GPRESSURE: 1508600 110.838 -83.9315 -32.3841 70.6861 38.6002 16.5243 -41.3463 -41.5358 10.058 PRESSAVG: 1508600 38.7172 -7.06358 -41.7069 -7.06357 -12.3248 -3.54932 -41.7069 -3.54929 5.44088 GPRESSAVG: 1508600 38.6048 -7.89079 -40.7581 -6.44707 -12.6272 -3.83991 -40.1237 -4.6915 5.77279 TIMING: 1508600 CPU: 4801.12, 0.00321276/step Wall: 4801.12, 0.00321276/step, 3.11584 hours remaining, 238.355469 MB of memory in use. ENERGY: 1508600 4037.3237 20532.4307 14399.0635 242.8812 -203336.0688 2514.1092 0.0000 0.0000 51954.1068 -109656.1537 298.5810 -161610.2605 -109302.4298 298.4694 25.8695 53.1652 761099.1069 10.6111 10.5835 PRESSURE: 1508800 -125.216 16.1517 -130.085 16.1515 -217.582 -94.3706 -130.085 -94.3703 -300.499 GPRESSURE: 1508800 -137.992 -76.4981 -50.4508 80.0446 -207.473 -72.6906 -43.2765 -94.7194 -219.591 PRESSAVG: 1508800 60.7546 -14.9552 -13.3955 -14.9551 -36.3215 32.1831 -13.3955 32.1831 9.08688 GPRESSAVG: 1508800 60.5518 -14.0425 -12.9884 -16.4183 -35.7385 30.6855 -15.3958 31.7725 8.18774 TIMING: 1508800 CPU: 4801.75, 0.00318429/step Wall: 4801.75, 0.00318429/step, 3.08805 hours remaining, 238.355469 MB of memory in use. ENERGY: 1508800 3953.5836 20366.5611 14460.5654 242.1509 -202973.3135 2313.7259 0.0000 0.0000 51988.4996 -109648.2270 298.7786 -161636.7266 -109287.6689 298.3634 -214.4323 -188.3519 763047.2282 11.1733 11.0003 PRESSURE: 1509000 162.832 -219.417 -138.56 -219.418 63.6482 26.9027 -138.56 26.9036 154.854 GPRESSURE: 1509000 273.877 -192.701 -74.8659 -203.624 4.86134 -32.4547 -50.3332 100.788 189.195 PRESSAVG: 1509000 10.957 -59.7275 17.0059 -59.7274 -4.98356 5.90322 17.006 5.90325 2.71539 GPRESSAVG: 1509000 10.7677 -59.3764 15.8718 -57.993 -5.54261 7.27129 18.8039 7.70371 3.84557 TIMING: 1509000 CPU: 4802.4, 0.00320856/step Wall: 4802.4, 0.00320856/step, 3.11141 hours remaining, 238.355469 MB of memory in use. ENERGY: 1509000 3906.6541 20371.0237 14460.2729 242.9741 -203084.6318 2562.8989 0.0000 0.0000 51731.5687 -109809.2394 297.3020 -161540.8081 -109442.1180 298.4555 127.1113 155.9778 762742.2509 2.8963 3.0235 PRESSURE: 1509200 17.4311 -109.604 -47.0479 -109.605 -561.093 -126.036 -47.0489 -126.035 -23.0807 GPRESSURE: 1509200 -96.4321 -49.133 -32.5994 -80.5716 -426.98 -140.291 -87.7023 -92.5575 52.6108 PRESSAVG: 1509200 -37.8831 -42.8817 -58.019 -42.8817 26.6424 -22.4815 -58.019 -22.4814 5.9248 GPRESSAVG: 1509200 -38.1022 -43.0424 -57.05 -44.8905 26.8011 -21.0235 -59.1852 -24.2457 5.48088 TIMING: 1509200 CPU: 4803.04, 0.0032098/step Wall: 4803.04, 0.0032098/step, 3.11244 hours remaining, 238.558594 MB of memory in use. ENERGY: 1509200 3968.2805 20254.1108 14446.7373 243.5602 -203170.6463 2327.0716 0.0000 0.0000 52114.8700 -109816.0159 299.5049 -161930.8859 -109460.4804 298.3490 -188.9143 -156.9336 763288.1279 -1.7720 -1.9401 PRESSURE: 1509400 330.807 26.9108 -153.423 26.9099 -91.8397 71.8716 -153.422 71.8705 49.5227 GPRESSURE: 1509400 258.718 41.1386 -214.028 -76.8839 80.285 11.2406 8.40946 21.2654 27.4378 PRESSAVG: 1509400 -42.4136 -71.9315 3.13019 -71.9315 37.8837 -21.4642 3.13015 -21.4642 0.810299 GPRESSAVG: 1509400 -42.5944 -70.337 2.48532 -72.4311 37.9632 -24.5332 3.06085 -19.6283 1.17101 TIMING: 1509400 CPU: 4803.68, 0.00320903/step Wall: 4803.68, 0.00320903/step, 3.11151 hours remaining, 238.558594 MB of memory in use. ENERGY: 1509400 3969.9707 20419.9934 14477.8208 280.3578 -203490.6342 2615.3851 0.0000 0.0000 52183.7023 -109543.4039 299.9005 -161727.1063 -109181.7437 298.7307 96.1634 122.1468 762534.6836 -1.2399 -1.1534 PRESSURE: 1509600 -172.726 -123.791 -50.8412 -123.791 9.25993 -221.38 -50.8417 -221.381 219.623 GPRESSURE: 1509600 -108.716 1.05864 12.4873 -23.7147 77.9431 -161.718 -75.6291 -310.197 172.799 PRESSAVG: 1509600 36.4875 -38.9184 45.8817 -38.9183 -32.9445 -24.9112 45.8816 -24.9113 11.5233 GPRESSAVG: 1509600 37.1401 -40.0975 44.2419 -37.3091 -33.3849 -22.3914 46.5519 -26.7235 11.1285 TIMING: 1509600 CPU: 4804.32, 0.00321469/step Wall: 4804.32, 0.00321469/step, 3.11682 hours remaining, 238.558594 MB of memory in use. ENERGY: 1509600 4068.5931 20479.0416 14527.5352 242.1711 -203451.3429 2679.4373 0.0000 0.0000 51859.8271 -109594.7374 298.0391 -161454.5645 -109241.2011 298.9518 18.7188 47.3419 761303.9883 5.0221 4.9612 PRESSURE: 1509800 -194.888 3.40181 195.232 3.40162 9.28213 41.5107 195.232 41.5109 -242.227 GPRESSURE: 1509800 -279.443 149.269 261.069 -41.6358 139.969 -16.5367 182.676 49.0047 -194.888 PRESSAVG: 1509800 11.0502 -59.5516 23.9374 -59.5515 14.0844 -14.6817 23.9373 -14.6818 15.3341 GPRESSAVG: 1509800 11.0884 -59.3108 25.79 -60.3181 14.1217 -17.3825 25.2759 -11.6274 15.158 TIMING: 1509800 CPU: 4804.96, 0.00321018/step Wall: 4804.96, 0.00321018/step, 3.11227 hours remaining, 238.558594 MB of memory in use. ENERGY: 1509800 3944.4653 20288.4524 14511.2456 228.6464 -203409.0897 2650.0224 0.0000 0.0000 51972.8611 -109813.3964 298.6887 -161786.2575 -109443.4568 298.1396 -142.6112 -111.4540 762398.5755 13.4896 13.4560 PRESSURE: 1510000 -90.392 -46.7236 -72.7008 -46.7246 -133.499 -172.166 -72.7012 -172.166 -466.134 GPRESSURE: 1510000 -183.25 -38.5836 -59.242 -14.2303 -81.8724 -177.611 -101.869 -201.526 -357.254 PRESSAVG: 1510000 -1.4389 19.1302 7.25823 19.1302 -5.30912 20.8885 7.2583 20.8885 -0.52145 GPRESSAVG: 1510000 -2.9229 19.6561 7.78594 19.2162 -4.96935 22.8802 6.55389 18.1632 1.07632 TIMING: 1510000 CPU: 4805.6, 0.00319213/step Wall: 4805.6, 0.00319213/step, 3.09459 hours remaining, 238.558594 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: 1510000 3932.6267 20426.4782 14402.3968 245.2433 -203213.4994 2373.4352 0.0000 0.0000 51881.9613 -109951.3580 298.1663 -161833.3193 -109592.1059 298.1927 -230.0083 -207.4590 760747.9855 -2.4232 -2.2720 PRESSURE: 1510200 -217.641 -33.0522 56.6324 -33.0509 -294.88 21.1602 56.6322 21.1592 -279.401 GPRESSURE: 1510200 -163.906 -72.9415 76.1418 -13.7451 -339.963 0.555433 45.5659 96.6448 -234.715 PRESSAVG: 1510200 -20.063 -40.3972 -57.3857 -40.3972 13.126 40.8401 -57.3856 40.8401 -15.7336 GPRESSAVG: 1510200 -20.1658 -42.1078 -58.2586 -38.7333 13.4466 41.3948 -55.2188 41.748 -16.2151 TIMING: 1510200 CPU: 4806.24, 0.00320987/step Wall: 4806.24, 0.00320987/step, 3.11161 hours remaining, 238.558594 MB of memory in use. ENERGY: 1510200 4036.7526 20409.1305 14363.4580 256.5784 -203195.5488 2374.2345 0.0000 0.0000 51743.2680 -110012.1267 297.3693 -161755.3947 -109659.8045 298.2147 -263.9740 -246.1946 760539.5440 -7.5569 -7.6447 PRESSURE: 1510400 17.7779 117.504 -290.821 117.504 168.311 -191.821 -290.82 -191.82 73.5377 GPRESSURE: 1510400 98.4855 122.461 -283.897 60.5923 192.38 -172.303 -170.701 -62.7577 68.2391 PRESSAVG: 1510400 56.9415 -93.6714 -11.9428 -93.6714 -40.2235 38.588 -11.9428 38.588 16.565 GPRESSAVG: 1510400 57.6594 -94.4815 -12.962 -93.9197 -41.3204 38.894 -13.7083 35.065 17.2187 TIMING: 1510400 CPU: 4806.89, 0.00322529/step Wall: 4806.89, 0.00322529/step, 3.12638 hours remaining, 238.558594 MB of memory in use. ENERGY: 1510400 3937.5946 20529.2385 14508.3047 255.6987 -203280.3368 2437.4652 0.0000 0.0000 51735.3254 -109876.7097 297.3236 -161612.0351 -109522.5445 298.1494 86.5421 119.7015 761027.3277 11.0943 11.1859 PRESSURE: 1510600 29.5022 -210.296 -146.798 -210.296 133.88 201.319 -146.798 201.318 30.7294 GPRESSURE: 1510600 54.1669 -103.247 -241.619 -303.622 178.551 111.836 -41.6986 136.735 48.8326 PRESSAVG: 1510600 58.5847 -81.7319 0.781221 -81.7318 -46.9306 1.63772 0.781236 1.6377 -1.43009 GPRESSAVG: 1510600 58.4334 -80.2955 2.20617 -84.9554 -45.9303 -0.625695 1.90096 4.18611 -2.26601 TIMING: 1510600 CPU: 4807.54, 0.00324475/step Wall: 4807.54, 0.00324475/step, 3.14506 hours remaining, 238.558594 MB of memory in use. ENERGY: 1510600 3847.4072 20338.7062 14456.9490 229.0527 -203408.0714 2556.8557 0.0000 0.0000 52074.7489 -109904.3517 299.2743 -161979.1006 -109529.9491 297.9095 64.7038 93.8503 760640.2447 3.4080 3.4124 PRESSURE: 1510800 109.581 39.0868 172.701 39.0877 -366.771 107.963 172.702 107.963 -502.63 GPRESSURE: 1510800 98.1104 -148.926 61.6149 175.181 -318.25 128.199 135.408 93.8151 -467.487 PRESSAVG: 1510800 53.4622 -77.7882 11.0565 -77.7882 -64.6901 13.5881 11.0565 13.5881 19.5988 GPRESSAVG: 1510800 52.8445 -78.9764 11.9044 -74.0259 -65.9489 14.4507 8.12581 12.8929 21.3192 TIMING: 1510800 CPU: 4808.19, 0.0032336/step Wall: 4808.19, 0.0032336/step, 3.13408 hours remaining, 238.558594 MB of memory in use. ENERGY: 1510800 4003.1901 20442.4158 14417.0834 254.5116 -203094.7064 2210.3783 0.0000 0.0000 51874.0895 -109893.0376 298.1211 -161767.1271 -109536.3663 298.3335 -253.2733 -229.2088 760612.7893 2.7903 2.7383 PRESSURE: 1511000 -10.4654 -120.135 77.1955 -120.136 74.1942 -89.4274 77.1952 -89.4273 110.29 GPRESSURE: 1511000 27.663 -41.8529 79.8744 -73.5668 62.6123 -75.4506 -10.0529 -150.672 162.452 PRESSAVG: 1511000 29.7303 -34.5114 7.92691 -34.5114 -26.3232 -4.04244 7.92692 -4.04248 12.5534 GPRESSAVG: 1511000 29.8135 -34.8725 6.24558 -32.3407 -24.314 -3.07738 9.61135 -4.9165 10.7575 TIMING: 1511000 CPU: 4808.84, 0.0032499/step Wall: 4808.84, 0.0032499/step, 3.1497 hours remaining, 238.558594 MB of memory in use. ENERGY: 1511000 3985.3659 20505.1933 14475.3797 228.3697 -203432.4119 2538.7177 0.0000 0.0000 52027.7258 -109671.6597 299.0041 -161699.3855 -109311.3296 298.3553 58.0062 84.2423 759342.1734 5.3202 5.4190 PRESSURE: 1511200 124.254 -12.4255 -310.935 -12.4244 -115.143 -61.7789 -310.935 -61.7782 -203.863 GPRESSURE: 1511200 193.692 -69.4973 -385.042 49.5969 -154.185 -82.7694 -212.388 -124.922 -156.488 PRESSAVG: 1511200 -2.18789 -43.2984 24.4839 -43.2984 -50.3039 -10.6354 24.4839 -10.6354 -18.771 GPRESSAVG: 1511200 -1.69107 -40.6405 26.4336 -48.6198 -51.918 -11.0306 25.128 -11.2668 -17.4025 TIMING: 1511200 CPU: 4809.47, 0.00319054/step Wall: 4809.47, 0.00319054/step, 3.09199 hours remaining, 238.558594 MB of memory in use. ENERGY: 1511200 4020.7120 20366.5775 14503.7170 247.2470 -203545.8523 2696.7206 0.0000 0.0000 52265.6249 -109445.2533 300.3713 -161710.8781 -109079.9339 299.1991 -64.9172 -38.9936 761817.4954 -23.7542 -23.6705 PRESSURE: 1511400 -370.497 60.9591 -94.217 60.9591 -355.781 -4.66291 -94.2171 -4.66279 -149.596 GPRESSURE: 1511400 -245.273 99.4894 -43.711 -23.1438 -314.875 -10.9717 -55.9934 -57.7825 -240.203 PRESSAVG: 1511400 60.4115 1.90953 24.7542 1.90948 -118.162 18.3681 24.7543 18.3682 20.9978 GPRESSAVG: 1511400 61.898 -0.84114 25.7106 3.91649 -118.245 16.4898 23.5809 20.1917 20.0537 TIMING: 1511400 CPU: 4810.12, 0.00321362/step Wall: 4810.12, 0.00321362/step, 3.11417 hours remaining, 238.558594 MB of memory in use. ENERGY: 1511400 4126.6150 20480.8045 14418.8728 252.5527 -203565.7052 2663.6162 0.0000 0.0000 52123.3042 -109499.9398 299.5533 -161623.2440 -109146.9628 299.0434 -291.9579 -266.7838 762054.7908 -12.2511 -12.0979 PRESSURE: 1511600 -205.962 90.973 -32.8053 90.973 149.308 42.7116 -32.8058 42.7122 468.263 GPRESSURE: 1511600 -157.206 53.1289 -1.14363 64.9134 214.737 68.1111 -58.1623 66.7739 439.383 PRESSAVG: 1511600 49.1409 50.0015 63.273 50.0015 -56.9702 27.6552 63.2731 27.6552 -29.1529 GPRESSAVG: 1511600 48.2194 50.15 62.0299 49.7147 -56.2411 28.4552 63.5991 27.0172 -29.1563 TIMING: 1511600 CPU: 4810.76, 0.00323692/step Wall: 4810.76, 0.00323692/step, 3.13658 hours remaining, 238.558594 MB of memory in use. ENERGY: 1511600 4027.6852 20491.6279 14451.6174 269.0521 -203466.5674 2828.0477 0.0000 0.0000 51974.6435 -109423.8935 298.6990 -161398.5370 -109071.6984 298.7969 137.2030 165.6379 761613.5313 -12.3274 -12.3927 PRESSURE: 1511800 -257.708 -19.2935 15.635 -19.2934 -361.951 229.455 15.6346 229.455 -306.781 GPRESSURE: 1511800 -260.58 32.1919 9.07643 18.6225 -338.457 247.378 53.158 198.122 -253.255 PRESSAVG: 1511800 93.91 -23.9092 3.48593 -23.9092 -68.7359 64.5845 3.48597 64.5844 -3.78941 GPRESSAVG: 1511800 93.5768 -21.5812 4.18648 -23.0707 -67.8662 65.5132 3.45431 63.1691 -4.3245 TIMING: 1511800 CPU: 4811.41, 0.00323653/step Wall: 4811.41, 0.00323653/step, 3.13602 hours remaining, 238.558594 MB of memory in use. ENERGY: 1511800 4043.0700 20540.8679 14495.5012 250.9716 -202859.6961 2117.5785 0.0000 0.0000 51948.4975 -109463.2092 298.5487 -161411.7068 -109111.8909 299.8064 -308.8130 -284.0974 762024.5148 7.1282 7.1287 PRESSURE: 1512000 -69.6095 -137.913 57.9056 -137.913 -247.55 -58.9206 57.906 -58.9197 1.89764 GPRESSURE: 1512000 -55.0986 -95.1454 62.7491 -234.929 -202.308 -54.2155 296.869 -59.7883 25.878 PRESSAVG: 1512000 95.4763 -19.6135 32.354 -19.6135 -57.7143 35.5697 32.354 35.5697 -10.9927 GPRESSAVG: 1512000 96.529 -20.5376 31.8919 -19.2522 -59.342 34.5749 34.1921 38.9489 -10.7582 TIMING: 1512000 CPU: 4812.06, 0.00322901/step Wall: 4812.06, 0.00322901/step, 3.12855 hours remaining, 238.558594 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: 1512000 3939.4666 20446.5436 14537.8593 252.4313 -203213.2478 2371.0088 0.0000 0.0000 51955.5726 -109710.3657 298.5894 -161665.9383 -109350.9838 299.4237 -105.0872 -77.1763 759995.2463 8.9231 8.8096 PRESSURE: 1512200 25.7334 37.9244 -96.5232 37.9243 -12.842 57.2477 -96.523 57.2466 82.2734 GPRESSURE: 1512200 -40.7249 89.0227 -12.085 -71.6601 120.225 122.331 -3.56162 36.5036 110.706 PRESSAVG: 1512200 59.4214 13.134 -2.63703 13.134 -79.1444 -14.0593 -2.63706 -14.0593 -14.9619 GPRESSAVG: 1512200 57.8339 12.1746 -2.82189 11.4785 -78.1861 -13.731 -2.5231 -15.3092 -14.4568 TIMING: 1512200 CPU: 4812.7, 0.0032398/step Wall: 4812.7, 0.0032398/step, 3.13883 hours remaining, 238.558594 MB of memory in use. ENERGY: 1512200 3998.0536 20373.1021 14514.4806 228.1506 -203133.4079 2472.1666 0.0000 0.0000 52006.1801 -109541.2743 298.8802 -161547.4544 -109179.1282 298.7387 31.7216 63.4021 762156.2073 -11.5616 -11.6030 LDB: ============= START OF LOAD BALANCING ============== 4825.16 LDB: ============== END OF LOAD BALANCING =============== 4825.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4825.16 LDB: ============= START OF LOAD BALANCING ============== 4825.49 LDB: Largest compute 7060 load 0.036939 is 18.9% of average load 0.195166 LDB: Average compute 0.004410 is 2.3% of average load 0.195166 LDB: TIME 4825.49 LOAD: AVG 0.195166 MAX 0.215968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 4825.49 LOAD: AVG 0.195166 MAX 0.215968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: TIME 4825.49 LOAD: AVG 0.195166 MAX 0.215968 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: ============== END OF LOAD BALANCING =============== 4825.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4825.5 PRESSURE: 1512400 17.1633 174.97 10.1468 174.971 -206.906 163.259 10.1468 163.259 160.782 GPRESSURE: 1512400 37.2284 197.655 46.4318 184.494 -143.869 120.633 -16.5884 180.028 154.001 PRESSAVG: 1512400 7.40174 -55.4721 -42.1773 -55.472 -2.56371 -13.004 -42.1773 -13.004 3.11644 GPRESSAVG: 1512400 9.22195 -54.6055 -41.7402 -55.3139 -3.22726 -14.1657 -44.7716 -12.1808 1.55765 TIMING: 1512400 CPU: 4813.36, 0.00329409/step Wall: 4813.36, 0.00329409/step, 3.19124 hours remaining, 236.667969 MB of memory in use. ENERGY: 1512400 3957.4546 20299.9346 14526.7047 247.3343 -203187.5979 2662.9013 0.0000 0.0000 51913.9681 -109579.3003 298.3503 -161493.2684 -109207.2501 298.5444 -9.6536 15.7866 762478.6811 2.6515 2.5174 PRESSURE: 1512600 391.042 96.7108 23.7427 96.7098 124.433 151.525 23.7419 151.525 146.246 GPRESSURE: 1512600 494.173 116.785 23.4369 15.5336 123.272 88.0484 20.6667 211.394 126.625 PRESSAVG: 1512600 10.4987 -41.1337 -10.8452 -41.1337 4.31514 8.66627 -10.8451 8.66628 26.2241 GPRESSAVG: 1512600 8.66822 -40.6733 -10.0008 -40.3005 5.48699 10.0148 -10.7577 5.59133 26.8823 TIMING: 1512600 CPU: 4814.01, 0.00322233/step Wall: 4814.01, 0.00322233/step, 3.12154 hours remaining, 236.871094 MB of memory in use. ENERGY: 1512600 4078.1975 20396.2574 14425.8018 251.2979 -203246.4451 2658.1615 0.0000 0.0000 52015.8840 -109420.8451 298.9360 -161436.7291 -109065.7010 299.2255 220.5732 248.0233 762304.9641 13.6793 13.6792 PRESSURE: 1512800 -47.8797 -205.592 110.505 -205.592 92.6014 -16.2859 110.505 -16.2852 417.594 GPRESSURE: 1512800 21.9795 -268.101 32.4076 -268.322 88.3957 -79.4994 173.414 -40.9129 437.465 PRESSAVG: 1512800 91.7558 -47.3246 9.03479 -47.3245 -64.5489 -7.89904 9.03484 -7.89903 13.6608 GPRESSAVG: 1512800 91.7292 -46.1578 7.29535 -48.1119 -65.4611 -8.35368 11.4604 -5.59217 15.1117 TIMING: 1512800 CPU: 4814.65, 0.00319877/step Wall: 4814.65, 0.00319877/step, 3.09854 hours remaining, 236.871094 MB of memory in use. ENERGY: 1512800 4041.2977 20311.0648 14461.4253 232.8059 -203587.1040 2770.7618 0.0000 0.0000 52105.6625 -109664.0860 299.4520 -161769.7485 -109306.7768 299.0881 154.1052 182.6136 760443.7158 13.6225 13.7933 PRESSURE: 1513000 129.231 -61.8848 -81.7158 -61.8849 -130.316 -122.332 -81.7153 -122.332 -9.06276 GPRESSURE: 1513000 108.25 14.2785 -108.12 56.2496 -7.20477 -176.386 -74.0395 -43.2268 -47.5335 PRESSAVG: 1513000 42.0411 -13.1845 -14.9783 -13.1845 -19.5071 -52.5093 -14.9782 -52.5093 -1.91472 GPRESSAVG: 1513000 42.1814 -15.1629 -13.2189 -12.2385 -18.5155 -52.6787 -18.5238 -54.5313 -3.39725 TIMING: 1513000 CPU: 4815.29, 0.00320973/step Wall: 4815.29, 0.00320973/step, 3.10898 hours remaining, 236.871094 MB of memory in use. ENERGY: 1513000 3893.6790 20456.9927 14552.9748 236.8854 -203551.2494 2481.1896 0.0000 0.0000 52024.1828 -109905.3452 298.9837 -161929.5280 -109540.4069 298.8473 -3.3827 17.8374 759189.7120 6.8731 6.7562 PRESSURE: 1513200 208.12 -291.875 -106.984 -291.875 -101.933 125.868 -106.984 125.868 -138.737 GPRESSURE: 1513200 113.915 -195.832 -127.196 -353.434 93.3774 132.847 13.4433 115.962 -147.466 PRESSAVG: 1513200 47.8875 -12.8915 -5.40575 -12.8915 -69.5334 12.1035 -5.40569 12.1036 9.00901 GPRESSAVG: 1513200 47.5555 -10.9632 -6.88302 -13.3472 -69.3693 12.4143 -3.34526 15.1085 9.47528 TIMING: 1513200 CPU: 4815.93, 0.00319834/step Wall: 4815.93, 0.00319834/step, 3.09777 hours remaining, 236.871094 MB of memory in use. ENERGY: 1513200 3983.3584 20287.7072 14454.5447 244.0619 -203831.1715 2848.0809 0.0000 0.0000 51963.3966 -110050.0219 298.6344 -162013.4185 -109683.5763 298.4954 -10.8500 19.9423 762094.3932 -4.2123 -4.1128 PRESSURE: 1513400 -377.159 80.6226 112.414 80.6222 -373.395 -4.97329 112.413 -4.9731 -386.83 GPRESSURE: 1513400 -288.921 72.7935 124.537 -3.59915 -412.232 -3.08493 61.5297 -11.7609 -356.599 PRESSAVG: 1513400 113.593 -54.2514 -17.2957 -54.2514 -74.5745 -43.5228 -17.2957 -43.5227 -6.2215 GPRESSAVG: 1513400 115.884 -54.938 -16.7612 -53.9075 -77.9061 -41.9423 -19.5696 -44.0625 -5.27713 TIMING: 1513400 CPU: 4816.58, 0.00323054/step Wall: 4816.58, 0.00323054/step, 3.12878 hours remaining, 236.871094 MB of memory in use. ENERGY: 1513400 3959.7996 20481.2911 14489.9087 237.2651 -203274.5695 2257.0404 0.0000 0.0000 51675.6651 -110173.5997 296.9808 -161849.2648 -109818.7823 297.7184 -379.1277 -352.5838 762250.7569 10.9322 10.9002 PRESSURE: 1513600 -77.6185 35.15 -19.4353 35.1493 -10.7682 -89.0356 -19.4357 -89.0358 27.9595 GPRESSURE: 1513600 -87.3304 54.9901 -41.7709 -66.4432 59.4057 -48.7785 8.04297 -144.822 68.6435 PRESSAVG: 1513600 59.3901 -34.2949 -21.0375 -34.295 -60.8277 -20.3067 -21.0375 -20.3067 21.538 GPRESSAVG: 1513600 57.8702 -36.4198 -21.1465 -34.5865 -58.8638 -20.9705 -20.7363 -22.2966 20.8041 TIMING: 1513600 CPU: 4817.21, 0.00318629/step Wall: 4817.21, 0.00318629/step, 3.08574 hours remaining, 236.871094 MB of memory in use. ENERGY: 1513600 3961.4596 20245.6556 14421.7071 265.6821 -203244.5797 2336.4424 0.0000 0.0000 51732.3566 -110281.2763 297.3066 -162013.6329 -109929.0400 297.4119 -20.1424 13.5729 761730.9885 6.7001 6.6035 PRESSURE: 1513800 43.3375 77.6409 68.8026 77.6399 -140.309 -77.6384 68.803 -77.6369 -440.352 GPRESSURE: 1513800 196.177 -13.7277 99.8648 8.1466 -191.93 -10.7312 25.7753 -85.537 -443.806 PRESSAVG: 1513800 31.7942 -72.0591 0.70361 -72.0591 31.0644 -40.2441 0.703658 -40.2442 0.721079 GPRESSAVG: 1513800 30.4448 -70.8773 0.90263 -72.3579 31.4647 -40.648 3.53587 -40.951 1.35183 TIMING: 1513800 CPU: 4817.85, 0.00318814/step Wall: 4817.85, 0.00318814/step, 3.08736 hours remaining, 236.871094 MB of memory in use. ENERGY: 1513800 3873.0046 20316.6654 14529.8454 228.5296 -203697.0969 2511.3166 0.0000 0.0000 51958.2408 -110279.4945 298.6047 -162237.7353 -109922.6933 297.2586 -179.1076 -146.5196 759383.1168 21.1932 21.0871 PRESSURE: 1514000 17.719 -246.56 333.044 -246.561 142.139 100.14 333.043 100.14 160.578 GPRESSURE: 1514000 71.7827 -142.86 346.431 -288.617 138.896 118.441 312.783 -91.9347 184.615 PRESSAVG: 1514000 -17.338 -62.0414 21.0033 -62.0414 -18.4269 24.7735 21.0032 24.7735 13.5342 GPRESSAVG: 1514000 -15.5841 -60.6152 19.686 -63.1251 -19.1208 25.159 18.6302 24.938 12.2902 TIMING: 1514000 CPU: 4818.49, 0.003191/step Wall: 4818.49, 0.003191/step, 3.08996 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1514000 3986.7680 20259.8284 14522.8656 239.1086 -203694.2054 2569.7842 0.0000 0.0000 52008.9623 -110106.8883 298.8962 -162115.8506 -109748.3986 297.6174 106.8119 131.7648 758371.0460 -7.4102 -7.4716 PRESSURE: 1514200 -26.8721 -211.895 250.005 -211.896 198.075 -67.3295 250.004 -67.3308 144.985 GPRESSURE: 1514200 60.4966 -213.123 200.943 -114.838 250.675 -86.0626 401.041 -23.2418 93.5617 PRESSAVG: 1514200 35.3054 -79.0284 24.5116 -79.0285 -30.4415 -23.2718 24.5116 -23.2718 -8.19806 GPRESSAVG: 1514200 36.0194 -79.4587 26.3431 -77.2399 -31.3216 -25.0375 23.9085 -22.8411 -7.91928 TIMING: 1514200 CPU: 4819.13, 0.00319736/step Wall: 4819.13, 0.00319736/step, 3.09594 hours remaining, 236.871094 MB of memory in use. ENERGY: 1514200 3971.8823 20288.6983 14425.0771 256.7012 -204092.2801 2786.0701 0.0000 0.0000 51999.2872 -110364.5638 298.8406 -162363.8510 -109995.0106 297.7570 105.3961 134.9111 758886.8355 -1.1114 -1.0738 PRESSURE: 1514400 162.728 85.8111 54.0226 85.8119 61.5784 117.232 54.0237 117.231 -14.4024 GPRESSURE: 1514400 218.957 59.276 -16.9615 7.34414 67.9525 -5.79639 37.5653 82.72 8.95682 PRESSAVG: 1514400 15.541 -32.6617 85.9386 -32.6617 1.23974 40.8086 85.9386 40.8086 7.19833 GPRESSAVG: 1514400 14.5986 -32.9959 85.0348 -33.3497 3.24352 40.4708 86.9064 40.7956 6.99728 TIMING: 1514400 CPU: 4819.77, 0.00318997/step Wall: 4819.77, 0.00318997/step, 3.0886 hours remaining, 236.871094 MB of memory in use. ENERGY: 1514400 3935.8704 20268.8915 14432.6959 245.6566 -203950.9101 2629.6877 0.0000 0.0000 52041.2864 -110396.8215 299.0820 -162438.1080 -110039.2271 297.5814 69.9681 98.6222 760255.8327 7.9930 8.2798 PRESSURE: 1514600 -137.691 130.822 98.2403 130.822 -153.083 -137.104 98.2407 -137.104 -259.712 GPRESSURE: 1514600 -84.4733 110.441 123.823 51.7992 -173.383 -109.632 112.411 -21.9598 -218.076 PRESSAVG: 1514600 82.289 -10.1236 23.1065 -10.1236 -45.1949 18.987 23.1065 18.987 1.06648 GPRESSAVG: 1514600 82.9806 -10.2481 22.2914 -9.65268 -46.7314 19.3588 22.2257 17.3014 1.75356 TIMING: 1514600 CPU: 4820.4, 0.00319195/step Wall: 4820.4, 0.00319195/step, 3.09034 hours remaining, 236.871094 MB of memory in use. ENERGY: 1514600 3973.0177 20296.0236 14512.1298 258.0588 -203831.9446 2585.9721 0.0000 0.0000 51800.7255 -110406.0171 297.6995 -162206.7425 -110038.6039 297.7710 -183.4957 -158.6438 760034.9731 12.7202 12.6676 PRESSURE: 1514800 -197.811 89.218 254.43 89.2167 22.192 -80.9733 254.429 -80.9732 -387.5 GPRESSURE: 1514800 -62.4621 -15.8884 251.728 25.878 -47.4673 -32.6213 341.88 -128.263 -366.918 PRESSAVG: 1514800 11.5011 25.4218 30.1555 25.4218 -10.9706 4.08035 30.1554 4.08035 1.2707 GPRESSAVG: 1514800 11.0892 23.873 30.9372 25.7198 -11.296 5.01182 30.9351 6.54034 2.28417 TIMING: 1514800 CPU: 4821.04, 0.00319376/step Wall: 4821.04, 0.00319376/step, 3.09192 hours remaining, 236.871094 MB of memory in use. ENERGY: 1514800 4084.8572 20536.1757 14502.5053 254.4760 -203867.5589 2747.0644 0.0000 0.0000 51447.9491 -110294.5312 295.6721 -161742.4803 -109940.9995 297.3223 -187.7066 -158.9493 760063.6352 0.6004 0.6925 PRESSURE: 1515000 180.676 -170.117 -66.78 -170.116 -139.169 272.524 -66.78 272.524 409.929 GPRESSURE: 1515000 160.069 -99.4972 24.8856 -105.608 -59.3711 226.741 1.89964 184.197 421.828 PRESSAVG: 1515000 9.37339 -15.5168 44.5018 -15.5167 -55.6838 51.4638 44.5018 51.4637 17.659 GPRESSAVG: 1515000 8.73324 -11.629 44.643 -15.4256 -54.9265 50.1675 43.5264 52.0355 17.2724 TIMING: 1515000 CPU: 4821.68, 0.00318772/step Wall: 4821.68, 0.00318772/step, 3.08589 hours remaining, 236.871094 MB of memory in use. ENERGY: 1515000 3984.8357 20493.0979 14356.8618 226.8692 -204028.3051 2786.2797 0.0000 0.0000 51853.2134 -110327.1473 298.0011 -162180.3608 -109973.4599 297.4178 150.4788 174.1751 760619.1558 -9.5505 -9.6403 PRESSURE: 1515200 -46.6899 140.18 14.6889 140.182 -202.589 -78.7763 14.6885 -78.7769 -179.381 GPRESSURE: 1515200 -2.65416 31.856 42.2311 162.164 -230.532 -90.0593 -20.0587 -137.203 -109.68 PRESSAVG: 1515200 24.6483 -17.4473 21.9538 -17.4473 -31.0428 20.5771 21.9537 20.5771 12.3404 GPRESSAVG: 1515200 23.9357 -20.1895 22.5136 -18.6255 -29.765 20.9723 21.7576 19.4848 12.101 TIMING: 1515200 CPU: 4822.32, 0.00318005/step Wall: 4822.32, 0.00318005/step, 3.07829 hours remaining, 236.871094 MB of memory in use. ENERGY: 1515200 3948.7847 20305.5120 14483.1404 233.7860 -202915.0568 2079.6386 0.0000 0.0000 51610.3903 -110253.8047 296.6056 -161864.1950 -109880.1747 297.6707 -142.8866 -114.2887 760583.5401 1.9820 2.0905 PRESSURE: 1515400 -355.476 8.44393 -59.3852 8.44436 -71.3725 -125.495 -59.3858 -125.495 -566.209 GPRESSURE: 1515400 -273.307 -85.6282 -136.698 71.2199 -20.0887 -71.207 12.3212 -212.094 -615.259 PRESSAVG: 1515400 -9.45956 31.6437 14.1516 31.6437 9.66362 -2.82127 14.1516 -2.82133 27.0763 GPRESSAVG: 1515400 -7.47693 32.4025 13.236 34.2413 9.2922 -2.54225 15.4277 -3.13843 25.6204 TIMING: 1515400 CPU: 4822.95, 0.00318926/step Wall: 4822.95, 0.00318926/step, 3.08703 hours remaining, 236.871094 MB of memory in use. ENERGY: 1515400 3974.7366 20543.3857 14507.6692 236.5596 -203803.2979 2519.8062 0.0000 0.0000 51862.9657 -110158.1749 298.0572 -162021.1406 -109805.5131 297.7736 -331.0190 -302.8852 761469.2022 9.0934 9.1452 PRESSURE: 1515600 -340.064 -151.533 202.23 -151.534 -193.971 65.2278 202.23 65.2278 44.3871 GPRESSURE: 1515600 -308.021 -63.2695 226.061 -120.907 -138.427 22.8314 73.3961 126.654 16.2462 PRESSAVG: 1515600 17.9144 -58.681 25.2011 -58.6811 11.1835 15.387 25.2011 15.387 2.46605 GPRESSAVG: 1515600 17.5335 -59.0827 26.0948 -59.2055 10.8564 15.8327 25.21 16.9925 3.50038 TIMING: 1515600 CPU: 4823.59, 0.00317876/step Wall: 4823.59, 0.00317876/step, 3.07669 hours remaining, 236.871094 MB of memory in use. ENERGY: 1515600 3971.2973 20560.4658 14468.5421 248.0532 -203676.0591 2431.9897 0.0000 0.0000 51857.4495 -110138.2616 298.0255 -161995.7110 -109792.5117 298.4474 -163.2161 -143.4008 759798.5064 10.5213 10.6301 PRESSURE: 1515800 -95.5081 -239.91 220.492 -239.911 -286.25 -87.7624 220.492 -87.7634 -550.955 GPRESSURE: 1515800 -53.9885 -360.542 181.037 -146.905 -261.755 -18.9257 103.518 -123.947 -535.398 PRESSAVG: 1515800 14.4794 -91.3667 23.98 -91.3667 -35.7577 9.23556 23.98 9.23557 -1.97802 GPRESSAVG: 1515800 14.4586 -91.1811 21.7158 -91.7789 -35.2159 10.5855 22.4698 7.61182 -2.6453 TIMING: 1515800 CPU: 4824.23, 0.00320607/step Wall: 4824.23, 0.00320607/step, 3.10294 hours remaining, 236.871094 MB of memory in use. ENERGY: 1515800 4020.3296 20490.6887 14447.7973 243.8576 -203364.4998 2407.4358 0.0000 0.0000 51759.7741 -109994.6167 297.4641 -161754.3908 -109629.9081 298.3258 -310.9045 -283.7137 761906.4521 -7.7521 -7.8009 PRESSURE: 1516000 -224.751 114.402 -122.588 114.402 -615.476 96.6337 -122.588 96.6341 -445.259 GPRESSURE: 1516000 -230.772 85.5701 -259.794 92.8163 -493.738 217.606 -111.375 45.8656 -479.159 PRESSAVG: 1516000 -4.38869 -32.9628 -12.6511 -32.9628 -95.9249 2.54074 -12.6511 2.54076 17.9556 GPRESSAVG: 1516000 -5.20456 -33.0645 -11.7982 -33.8736 -96.6105 2.35383 -10.5739 3.40841 19.1778 TIMING: 1516000 CPU: 4824.87, 0.00319494/step Wall: 4824.87, 0.00319494/step, 3.09199 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1516000 4060.5761 20453.7342 14483.2133 264.9134 -203431.9386 2278.4537 0.0000 0.0000 51712.7395 -110178.3084 297.1938 -161891.0479 -109814.2846 298.0990 -428.4954 -401.2230 760945.4942 -27.4527 -27.5457 PRESSURE: 1516200 197.377 -101.789 -80.842 -101.789 341.319 -84.1152 -80.8427 -84.1147 -59.9032 GPRESSURE: 1516200 292.936 -101.347 -111.991 -31.2666 361.325 -112.86 -192.285 -84.7067 -73.1552 PRESSAVG: 1516200 60.53 -48.2118 8.77642 -48.2118 -60.4571 -37.3545 8.77639 -37.3545 5.94817 GPRESSAVG: 1516200 61.1247 -48.4797 8.95224 -49.9063 -60.3 -36.7963 7.13637 -38.8419 5.25181 TIMING: 1516200 CPU: 4825.51, 0.0032036/step Wall: 4825.51, 0.0032036/step, 3.10019 hours remaining, 236.871094 MB of memory in use. ENERGY: 1516200 4020.3540 20596.0924 14450.6613 246.5739 -203969.3720 2768.9390 0.0000 0.0000 51832.9438 -110053.8076 297.8846 -161886.7514 -109695.9375 297.9030 159.5974 193.7019 760276.5458 2.0070 2.0255 LDB: ============= START OF LOAD BALANCING ============== 4837.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4837.97 LDB: =============== DONE WITH MIGRATION ================ 4837.97 LDB: ============= START OF LOAD BALANCING ============== 4838.29 LDB: Largest compute 7032 load 0.037681 is 19.3% of average load 0.195054 LDB: Average compute 0.004437 is 2.3% of average load 0.195054 LDB: TIME 4838.29 LOAD: AVG 0.195054 MAX 0.213223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.695 MB LDB: TIME 4838.29 LOAD: AVG 0.195054 MAX 0.213223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 4838.29 LOAD: AVG 0.195054 MAX 0.213223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 4838.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4838.3 PRESSURE: 1516400 -265.437 176.428 156.751 176.428 -401.215 -121.477 156.751 -121.476 -262.351 GPRESSURE: 1516400 -216.829 221.039 63.6184 136.796 -361.668 -183.156 114.483 -74.1812 -276.903 PRESSAVG: 1516400 19.0402 0.475828 35.0693 0.475826 -45.819 -20.2582 35.0693 -20.2581 8.37342 GPRESSAVG: 1516400 18.7746 1.79866 35.7844 2.68063 -45.8456 -21.5916 34.8918 -20.4462 8.62948 TIMING: 1516400 CPU: 4826.16, 0.0032581/step Wall: 4826.16, 0.0032581/step, 3.15275 hours remaining, 236.871094 MB of memory in use. ENERGY: 1516400 4026.7899 20525.8964 14468.5855 246.6822 -203535.4015 2551.1269 0.0000 0.0000 51790.9045 -109925.4162 297.6430 -161716.3207 -109568.9691 298.2833 -309.6676 -285.1332 761472.5219 -6.1351 -6.1472 PRESSURE: 1516600 46.7913 -4.75722 -6.01783 -4.75684 121.293 -40.6468 -6.01824 -40.6469 -302.51 GPRESSURE: 1516600 -23.9652 7.04691 -73.4679 -74.2735 209.374 -87.6366 -45.7887 16.223 -246.944 PRESSAVG: 1516600 -1.91802 -6.8098 16.1759 -6.80983 32.6289 26.3851 16.1759 26.3851 16.1364 GPRESSAVG: 1516600 -2.05058 -6.91712 17.2562 -7.18152 33.3024 26.8832 16.2212 27.6281 15.9045 TIMING: 1516600 CPU: 4826.8, 0.00320147/step Wall: 4826.8, 0.00320147/step, 3.09778 hours remaining, 236.871094 MB of memory in use. ENERGY: 1516600 4017.8048 20515.3384 14425.5196 241.1212 -203517.9753 2383.8800 0.0000 0.0000 52050.2710 -109884.0402 299.1336 -161934.3112 -109515.0839 298.5452 -44.8086 -20.5115 761052.5220 15.6158 15.7188 PRESSURE: 1516800 107.773 -126.813 109.562 -126.813 -114.797 -34.2525 109.562 -34.2529 158.765 GPRESSURE: 1516800 163.102 -48.1287 67.1341 -247.415 -95.5854 -81.5231 153.166 94.5102 163.23 PRESSAVG: 1516800 -29.8132 -32.4451 -16.2611 -32.4451 6.11815 -19.4175 -16.261 -19.4175 -7.59732 GPRESSAVG: 1516800 -29.3854 -34.4544 -18.2937 -31.6916 5.39225 -20.2404 -16.3924 -17.3043 -7.34674 TIMING: 1516800 CPU: 4827.44, 0.00320712/step Wall: 4827.44, 0.00320712/step, 3.10307 hours remaining, 236.871094 MB of memory in use. ENERGY: 1516800 3999.5427 20515.2205 14423.5995 262.7112 -203965.4396 2790.6146 0.0000 0.0000 52021.8594 -109951.8918 298.9703 -161973.7512 -109602.9596 298.6543 50.5804 76.9154 760347.8764 -10.4308 -10.4466 PRESSURE: 1517000 -50.3557 174.203 -266.54 174.203 -363.352 -6.43947 -266.54 -6.44063 -134.293 GPRESSURE: 1517000 15.2976 235.399 -220.784 249.317 -300.875 27.715 -178.253 -120.83 -177.383 PRESSAVG: 1517000 63.4065 17.2964 56.3729 17.2963 -46.7417 53.4816 56.3728 53.4815 12.7428 GPRESSAVG: 1517000 64.0301 19.9045 57.7191 17.4186 -46.9013 53.6704 56.3398 51.8653 12.6527 TIMING: 1517000 CPU: 4828.09, 0.00320743/step Wall: 4828.09, 0.00320743/step, 3.10319 hours remaining, 236.871094 MB of memory in use. ENERGY: 1517000 4016.1877 20557.7033 14435.2823 244.7410 -203363.4360 2390.7401 0.0000 0.0000 51899.4703 -109819.3114 298.2670 -161718.7817 -109451.8495 298.8333 -182.6668 -154.3201 759756.8444 9.8025 9.9272 PRESSURE: 1517200 -40.5731 -311.011 -17.3126 -311.011 182.475 -30.7957 -17.3124 -30.7961 161.972 GPRESSURE: 1517200 3.98256 -201.84 14.3656 -196.779 138.11 -50.0534 -65.1576 -49.9789 247.121 PRESSAVG: 1517200 16.1033 -19.7846 15.1465 -19.7846 -7.758 34.8922 15.1464 34.8922 -2.53555 GPRESSAVG: 1517200 17.5117 -19.6852 16.3125 -21.6615 -8.30076 35.779 14.6087 35.4326 -2.74658 TIMING: 1517200 CPU: 4828.72, 0.00316843/step Wall: 4828.72, 0.00316843/step, 3.06528 hours remaining, 236.871094 MB of memory in use. ENERGY: 1517200 3907.7856 20363.3731 14541.0243 227.1950 -203868.0155 2939.8061 0.0000 0.0000 52006.3655 -109882.4659 298.8813 -161888.8314 -109520.6306 298.4779 101.2913 129.7376 760371.9606 1.9366 2.1548 PRESSURE: 1517400 173.948 -63.2526 -31.3968 -63.2535 117.338 80.2691 -31.3957 80.2688 -70.5977 GPRESSURE: 1517400 190.769 -178.869 -18.4987 -52.8678 48.2687 51.8713 -84.8956 168.151 37.891 PRESSAVG: 1517400 19.9368 -15.0177 2.45733 -15.0177 18.5622 22.0223 2.45731 22.0223 -10.6742 GPRESSAVG: 1517400 18.2769 -15.579 2.60009 -14.1449 19.6534 20.0682 2.76843 23.9 -10.3667 TIMING: 1517400 CPU: 4829.36, 0.00320577/step Wall: 4829.36, 0.00320577/step, 3.10122 hours remaining, 236.871094 MB of memory in use. ENERGY: 1517400 3906.1824 20526.3010 14442.7584 256.3083 -203485.9366 2559.2400 0.0000 0.0000 52095.8589 -109699.2877 299.3956 -161795.1466 -109339.7481 298.8430 73.5628 92.3096 758890.3074 9.2749 9.1879 PRESSURE: 1517600 280.588 -191.016 -14.1425 -191.016 -363.5 -24.5723 -14.1424 -24.5722 9.04963 GPRESSURE: 1517600 297.722 -3.71466 -7.72656 -58.5767 -269.31 -47.568 91.1256 -66.8273 -16.0608 PRESSAVG: 1517600 68.7942 -21.3938 -0.989256 -21.3937 -29.1831 66.0431 -0.989265 66.0431 -9.55755 GPRESSAVG: 1517600 69.8966 -20.315 -3.387 -21.4927 -30.4829 67.5256 -1.6268 63.6764 -10.1034 TIMING: 1517600 CPU: 4830, 0.00321194/step Wall: 4830, 0.00321194/step, 3.10702 hours remaining, 236.871094 MB of memory in use. ENERGY: 1517600 3921.1616 20418.5420 14424.6600 238.4811 -202967.3154 2165.9642 0.0000 0.0000 52000.1411 -109798.3654 298.8455 -161798.5065 -109438.3791 298.7412 -24.6207 4.1172 760772.7836 10.0178 9.7701 PRESSURE: 1517800 -180.776 -50.2863 193.939 -50.2859 -193.707 281.217 193.939 281.217 -143.385 GPRESSURE: 1517800 -96.0488 25.1976 169.426 -81.8265 -215.847 252.362 89.8446 287.133 -96.4091 PRESSAVG: 1517800 49.1175 -30.1312 -13.5483 -30.1312 -44.7668 25.9433 -13.5483 25.9434 -4.40811 GPRESSAVG: 1517800 48.9103 -33.4576 -12.1032 -28.7324 -43.9915 26.2749 -12.1668 23.5824 -5.08578 TIMING: 1517800 CPU: 4830.64, 0.00319907/step Wall: 4830.64, 0.00319907/step, 3.09439 hours remaining, 236.871094 MB of memory in use. ENERGY: 1517800 3976.1589 20419.5485 14515.8370 254.7576 -203016.7096 2376.8355 0.0000 0.0000 51769.9974 -109703.5746 297.5229 -161473.5720 -109343.2156 298.6219 -172.6229 -136.1017 762005.7231 -0.0192 -0.0557 PRESSURE: 1518000 -42.9986 75.9458 -177.478 75.9458 -190.166 49.7419 -177.476 49.7415 -119.313 GPRESSURE: 1518000 13.8846 117.302 -110.001 37.2714 -204.332 15.3177 -197.483 84.0664 -77.3435 PRESSAVG: 1518000 42.8514 -20.6581 -25.3299 -20.658 -76.2692 -14.7286 -25.33 -14.7286 18.5139 GPRESSAVG: 1518000 42.8751 -16.6119 -25.2947 -23.7528 -76.8601 -15.5118 -26.2605 -12.9578 19.6475 TIMING: 1518000 CPU: 4831.28, 0.00318002/step Wall: 4831.28, 0.00318002/step, 3.07578 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1518000 4006.0011 20310.8786 14453.2765 244.7414 -203299.9788 2537.3715 0.0000 0.0000 52199.1071 -109548.6026 299.9890 -161747.7097 -109184.6325 299.3063 -117.4926 -89.2637 759675.2285 -4.9680 -4.7792 PRESSURE: 1518200 -229.88 50.3381 -8.63261 50.3376 -221.341 34.2785 -8.63225 34.2795 -15.7234 GPRESSURE: 1518200 -192.041 88.54 41.9823 26.5803 -152.008 18.0342 -87.9252 -46.2529 -32.8194 PRESSAVG: 1518200 -18.1284 -4.64146 -8.13605 -4.64146 27.6568 1.84565 -8.13601 1.84563 -2.15845 GPRESSAVG: 1518200 -17.8005 -7.89423 -8.95567 -1.11694 27.673 2.13367 -7.93929 2.91263 -2.40394 TIMING: 1518200 CPU: 4831.92, 0.00318644/step Wall: 4831.92, 0.00318644/step, 3.08182 hours remaining, 236.871094 MB of memory in use. ENERGY: 1518200 4033.5320 20522.4269 14455.7000 238.5252 -202920.9093 2302.9788 0.0000 0.0000 51844.1372 -109523.6091 297.9490 -161367.7463 -109159.0363 299.2316 -155.6480 -125.6229 761684.1175 2.4566 2.4895 PRESSURE: 1518400 322.208 -134.3 30.559 -134.301 -69.9552 39.2802 30.5591 39.2801 131.03 GPRESSURE: 1518400 347.599 -84.6257 87.4615 -125.834 15.0372 -15.6162 81.6012 14.4966 102.973 PRESSAVG: 1518400 38.007 -1.77339 -49.1114 -1.77337 -50.4911 2.09462 -49.1115 2.09465 -18.5259 GPRESSAVG: 1518400 37.7408 -1.38343 -48.1833 -2.20956 -51.1336 2.75338 -47.1836 0.036403 -17.4986 TIMING: 1518400 CPU: 4832.56, 0.0031921/step Wall: 4832.56, 0.0031921/step, 3.08711 hours remaining, 236.871094 MB of memory in use. ENERGY: 1518400 4084.8516 20596.7332 14431.9856 247.0202 -203636.6695 2851.9114 0.0000 0.0000 51897.1028 -109527.0646 298.2534 -161424.1674 -109167.8556 298.7819 127.7609 155.2028 760072.8567 -10.3367 -10.2972 PRESSURE: 1518600 -39.2711 -4.74838 -205.403 -4.74828 -123.174 -0.33297 -205.403 -0.332894 12.1009 GPRESSURE: 1518600 1.04481 63.3244 -199.274 -72.6538 -1.87223 89.9666 -214.106 93.3303 -52.0498 PRESSAVG: 1518600 62.9428 -14.1113 -72.4171 -14.1113 -59.6271 57.2046 -72.4171 57.2045 7.63651 GPRESSAVG: 1518600 63.8724 -13.9645 -73.4955 -13.735 -57.8826 55.5802 -73.6872 59.9903 5.41387 TIMING: 1518600 CPU: 4833.2, 0.00320547/step Wall: 4833.2, 0.00320547/step, 3.09986 hours remaining, 236.871094 MB of memory in use. ENERGY: 1518600 4061.4767 20478.8694 14374.0906 263.2314 -203250.3910 2490.2533 0.0000 0.0000 51919.9836 -109662.4860 298.3849 -161582.4696 -109298.4183 298.6580 -50.1146 -17.6257 760522.3975 3.6508 3.8012 PRESSURE: 1518800 -276.782 -5.25078 43.5976 -5.2514 -86.421 -31.4739 43.598 -31.4729 -101.181 GPRESSURE: 1518800 -241.483 52.6799 55.8108 35.4986 -49.0545 -15.0712 25.2653 98.1035 -80.3967 PRESSAVG: 1518800 37.544 -48.2765 -49.1038 -48.2766 -25.4919 -23.6991 -49.1038 -23.6991 -23.9654 GPRESSAVG: 1518800 36.8544 -50.0653 -47.6542 -49.5763 -26.0042 -21.2547 -50.101 -23.4581 -22.6434 TIMING: 1518800 CPU: 4833.84, 0.00320221/step Wall: 4833.84, 0.00320221/step, 3.09653 hours remaining, 236.871094 MB of memory in use. ENERGY: 1518800 4031.9204 20408.8066 14433.8191 252.8086 -203582.1650 2644.7495 0.0000 0.0000 52060.2109 -109749.8501 299.1907 -161810.0610 -109390.1708 299.2418 -154.7947 -123.6448 761841.2599 -3.9711 -3.9311 PRESSURE: 1519000 -67.1628 65.7964 -226.28 65.796 73.2148 148.213 -226.28 148.213 -56.7283 GPRESSURE: 1519000 -7.34254 107.862 -230.387 74.1158 125.818 214.66 -203.646 59.4146 -74.7346 PRESSAVG: 1519000 17.101 -16.86 -29.7649 -16.86 22.0846 9.0742 -29.765 9.07416 -17.477 GPRESSAVG: 1519000 16.9021 -14.6995 -30.9984 -16.6676 22.3966 8.76421 -29.1951 7.4673 -17.6046 TIMING: 1519000 CPU: 4834.48, 0.0031982/step Wall: 4834.48, 0.0031982/step, 3.09248 hours remaining, 236.871094 MB of memory in use. ENERGY: 1519000 3980.3284 20557.4224 14436.7886 242.0086 -203731.6511 2779.2384 0.0000 0.0000 52043.8350 -109692.0298 299.0966 -161735.8648 -109330.4402 298.9445 -16.8921 14.5803 759660.6846 7.2362 7.2314 PRESSURE: 1519200 115.248 -151.919 18.134 -151.919 270.617 -171.178 18.1346 -171.179 73.7056 GPRESSURE: 1519200 150.572 -186.694 20.1957 -118.854 264.093 -208.897 11.2269 -141.743 105.351 PRESSAVG: 1519200 13.8638 -26.6607 2.09822 -26.6608 -0.550917 -38.1923 2.09824 -38.1924 9.18866 GPRESSAVG: 1519200 14.8657 -27.541 4.21781 -26.8281 -1.50723 -39.0923 2.71901 -37.7 9.2959 TIMING: 1519200 CPU: 4835.11, 0.0031865/step Wall: 4835.11, 0.0031865/step, 3.08099 hours remaining, 236.871094 MB of memory in use. ENERGY: 1519200 3982.8013 20541.4913 14403.2420 266.9410 -203637.4191 2701.9776 0.0000 0.0000 52012.4460 -109728.5200 298.9162 -161740.9660 -109358.2525 299.3219 153.1902 173.3387 760547.4616 7.5005 7.5514 PRESSURE: 1519400 -24.5374 -286.048 -58.6189 -286.047 282.42 -345.453 -58.6192 -345.454 502.038 GPRESSURE: 1519400 -20.2022 -294.398 -77.7838 -340.087 326.856 -333.845 -52.6289 -223.276 525.501 PRESSAVG: 1519400 -4.39145 -37.1114 -11.323 -37.1114 -53.1209 -0.42161 -11.323 -0.421576 -7.67933 GPRESSAVG: 1519400 -4.53093 -35.7816 -12.9657 -37.4496 -52.751 1.62175 -12.1523 0.191097 -7.71123 TIMING: 1519400 CPU: 4835.75, 0.00319025/step Wall: 4835.75, 0.00319025/step, 3.08444 hours remaining, 236.871094 MB of memory in use. ENERGY: 1519400 3955.1848 20474.5290 14399.2973 249.9105 -203604.3419 2592.7775 0.0000 0.0000 52167.7154 -109764.9273 299.8086 -161932.6427 -109400.4130 298.8971 253.3068 277.3851 760842.5116 -21.7306 -21.6644 PRESSURE: 1519600 42.3004 -31.4749 -112.69 -31.4742 156.757 -4.34827 -112.69 -4.34942 427.529 GPRESSURE: 1519600 36.371 -73.8798 -82.4538 -27.4705 296.62 -54.285 -14.0304 -5.19917 377.461 PRESSAVG: 1519600 35.8245 -64.9532 48.3939 -64.9531 -51.9595 -24.7612 48.3939 -24.7612 16.6769 GPRESSAVG: 1519600 35.3309 -66.9613 49.3003 -64 -52.016 -26.6675 50.8372 -24.2957 17.2076 TIMING: 1519600 CPU: 4836.39, 0.00317896/step Wall: 4836.39, 0.00317896/step, 3.07335 hours remaining, 236.871094 MB of memory in use. ENERGY: 1519600 3986.3237 20725.2694 14377.3000 251.3533 -203639.1771 2814.5620 0.0000 0.0000 52000.8157 -109483.5530 298.8494 -161484.3687 -109130.5953 298.9820 208.8620 236.8175 762025.0382 0.1806 0.1742 PRESSURE: 1519800 133.182 -51.1447 0.968877 -51.1457 128.811 -177.513 0.969525 -177.513 -153.215 GPRESSURE: 1519800 160.169 -47.3731 -39.1589 -179.792 157.746 -25.5888 18.9431 -213.132 -126.048 PRESSAVG: 1519800 -17.2538 -43.5017 -17.8597 -43.5017 47.5098 -7.65334 -17.8597 -7.65332 20.2412 GPRESSAVG: 1519800 -16.426 -42.4216 -19.3573 -44.4672 47.135 -5.88361 -18.2599 -11.1714 19.6582 TIMING: 1519800 CPU: 4837.02, 0.00318606/step Wall: 4837.02, 0.00318606/step, 3.08004 hours remaining, 236.871094 MB of memory in use. ENERGY: 1519800 3986.7099 20419.6827 14446.3084 268.6653 -203421.5356 2699.5814 0.0000 0.0000 52086.2872 -109514.3008 299.3406 -161600.5880 -109143.3720 298.9776 36.2591 63.9558 761058.6845 16.8324 16.7891 PRESSURE: 1520000 119.715 168.737 6.43672 168.737 -410.449 -45.776 6.43629 -45.7761 -263.116 GPRESSURE: 1520000 65.0158 117.527 29.3536 64.5511 -254.371 -50.7883 -70.2328 -77.974 -269.796 PRESSAVG: 1520000 19.1197 -43.9258 -1.61664 -43.9257 42.9828 -26.3649 -1.61664 -26.3649 3.77871 GPRESSAVG: 1520000 18.9781 -46.5006 -0.35575 -42.731 43.2336 -28.2499 -3.76036 -22.7074 4.01077 TIMING: 1520000 CPU: 4837.66, 0.00319497/step Wall: 4837.66, 0.00319497/step, 3.08847 hours remaining, 236.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1520000 4002.1615 20513.4805 14464.8338 235.2158 -203131.7107 2281.2160 0.0000 0.0000 52014.8052 -109619.9980 298.9298 -161634.8032 -109255.1292 299.1060 -184.6168 -153.0506 761043.5566 21.9604 22.0742 PRESSURE: 1520200 -64.0261 43.3215 128.288 43.3219 -58.9195 -5.0728 128.29 -5.07457 -394.206 GPRESSURE: 1520200 -113.747 64.2941 113.58 -37.8512 50.9861 -14.545 152.228 -33.8811 -362.086 PRESSAVG: 1520200 5.67408 -41.3846 12.3802 -41.3845 -22.8556 60.5062 12.3802 60.5061 6.59391 GPRESSAVG: 1520200 5.44164 -36.984 10.8729 -44.6285 -23.0052 60.7496 13.5955 57.9242 7.19385 TIMING: 1520200 CPU: 4838.3, 0.00317884/step Wall: 4838.3, 0.00317884/step, 3.0727 hours remaining, 236.871094 MB of memory in use. ENERGY: 1520200 4019.3616 20621.3474 14439.4212 232.9569 -203004.7226 2103.7808 0.0000 0.0000 52044.9844 -109542.8703 299.1032 -161587.8547 -109182.3416 299.7154 -172.3839 -141.6158 762498.3052 -3.5292 -3.4566 LDB: ============= START OF LOAD BALANCING ============== 4850.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4850.75 LDB: =============== DONE WITH MIGRATION ================ 4850.76 LDB: ============= START OF LOAD BALANCING ============== 4851.08 LDB: Largest compute 7060 load 0.037708 is 19.3% of average load 0.195221 LDB: Average compute 0.004425 is 2.3% of average load 0.195221 LDB: TIME 4851.08 LOAD: AVG 0.195221 MAX 0.215035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.152 MB LDB: TIME 4851.08 LOAD: AVG 0.195221 MAX 0.215035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: TIME 4851.08 LOAD: AVG 0.195221 MAX 0.215035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.152 MB LDB: ============== END OF LOAD BALANCING =============== 4851.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4851.09 PRESSURE: 1520400 -245.097 -233.454 -121.197 -233.455 -46.1834 -101.067 -121.196 -101.067 394.468 GPRESSURE: 1520400 -124.949 -252.691 -99.0328 -171.501 -13.271 -128.879 -25.8752 -59.1517 304.681 PRESSAVG: 1520400 26.2521 -16.8681 -31.9961 -16.868 -8.65928 -30.675 -31.9961 -30.6751 18.198 GPRESSAVG: 1520400 26.338 -18.2822 -30.1425 -13.0938 -8.20918 -30.843 -32.4041 -29.9842 18.069 TIMING: 1520400 CPU: 4838.95, 0.00325275/step Wall: 4838.95, 0.00325275/step, 3.14397 hours remaining, 237.179688 MB of memory in use. ENERGY: 1520400 4024.2593 20556.9229 14402.4458 256.9763 -203472.0556 2454.8277 0.0000 0.0000 52183.9612 -109592.6623 299.9019 -161776.6235 -109225.9332 299.3003 34.3960 55.4871 760774.0483 11.9303 12.0659 PRESSURE: 1520600 -176.885 72.319 167.511 72.3184 132.683 169.213 167.511 169.213 -521.189 GPRESSURE: 1520600 -76.882 -1.43596 66.3485 -26.5571 88.3485 163.232 118.7 195.059 -482.093 PRESSAVG: 1520600 -1.99916 -2.55896 7.79766 -2.5589 -1.12298 -9.18749 7.79767 -9.18743 -13.8182 GPRESSAVG: 1520600 -2.85376 -2.25949 6.65556 -4.43019 -0.927192 -9.94617 7.29256 -8.67687 -13.0529 TIMING: 1520600 CPU: 4839.59, 0.00320696/step Wall: 4839.59, 0.00320696/step, 3.09952 hours remaining, 237.382812 MB of memory in use. ENERGY: 1520600 4056.3199 20580.8937 14402.4055 245.6567 -203766.3809 2577.6786 0.0000 0.0000 52125.8925 -109777.5340 299.5682 -161903.4265 -109413.8705 299.3347 -188.4639 -156.8756 759587.6168 -5.6468 -5.6113 PRESSURE: 1520800 -149.712 -111.515 -145.495 -111.514 54.5324 -96.6775 -145.495 -96.677 197.687 GPRESSURE: 1520800 -52.1173 -137.465 -139.506 -83.4527 46.9283 -59.6216 -24.5643 -23.7722 185.163 PRESSAVG: 1520800 32.9506 -30.2417 38.717 -30.2417 4.89105 -10.0843 38.7169 -10.0843 -2.76667 GPRESSAVG: 1520800 33.7301 -30.5316 39.1308 -32.4858 4.68642 -9.23698 38.8167 -10.263 -3.58627 TIMING: 1520800 CPU: 4840.23, 0.00318792/step Wall: 4840.23, 0.00318792/step, 3.08095 hours remaining, 237.382812 MB of memory in use. ENERGY: 1520800 3936.2061 20542.1290 14475.5051 250.6390 -203635.7693 2726.9431 0.0000 0.0000 51978.3556 -109725.9914 298.7203 -161704.3469 -109360.8925 298.8489 34.1691 59.9912 760155.0221 11.6917 11.6101 PRESSURE: 1521000 53.9248 -218.912 -11.2832 -218.913 319.785 -41.809 -11.2833 -41.8098 483.097 GPRESSURE: 1521000 167.012 -255.386 34.8144 -291.887 282.169 -20.7563 -200.808 -219.764 466.693 PRESSAVG: 1521000 -4.19271 -48.799 19.3438 -48.799 20.9164 -19.702 19.3438 -19.702 9.76988 GPRESSAVG: 1521000 -3.69264 -47.4697 19.2013 -47.3302 20.3054 -20.0018 20.4925 -20.7907 9.73198 TIMING: 1521000 CPU: 4840.87, 0.00320463/step Wall: 4840.87, 0.00320463/step, 3.09692 hours remaining, 237.382812 MB of memory in use. ENERGY: 1521000 3972.1558 20556.0536 14416.1215 268.6759 -203666.6913 2666.7762 0.0000 0.0000 51909.8243 -109877.0840 298.3265 -161786.9082 -109515.9717 298.9480 285.6023 305.2916 760212.6113 8.8312 8.7816 PRESSURE: 1521200 -93.0629 192.101 -148.409 192.101 72.0165 68.5004 -148.409 68.5013 -172.793 GPRESSURE: 1521200 -63.5391 213.711 -134.724 154.059 93.2486 89.8235 -106.363 114.916 -143.859 PRESSAVG: 1521200 -17.1745 10.8174 -5.23958 10.8174 -3.11594 -14.8542 -5.23955 -14.8542 16.6748 GPRESSAVG: 1521200 -16.9042 8.17828 -6.108 10.1813 -2.69499 -15.2713 -5.31976 -16.0419 16.404 TIMING: 1521200 CPU: 4841.51, 0.00320943/step Wall: 4841.51, 0.00320943/step, 3.10138 hours remaining, 237.382812 MB of memory in use. ENERGY: 1521200 3953.6123 20422.5780 14410.3313 233.6229 -203585.8906 2445.1141 0.0000 0.0000 52045.5585 -110075.0737 299.1065 -162120.6322 -109716.4791 298.6047 -64.6130 -38.0499 761517.7035 -1.2052 -1.0651 PRESSURE: 1521400 206.403 -277.944 12.3667 -277.944 -73.4352 -63.9337 12.3661 -63.9333 291.722 GPRESSURE: 1521400 261.305 -210.932 30.552 -153.62 -65.5537 -130.315 109.927 45.5292 303.609 PRESSAVG: 1521400 -5.13911 -51.8938 -6.03329 -51.8938 -1.02376 -19.2273 -6.03326 -19.2272 -17.9472 GPRESSAVG: 1521400 -5.53892 -51.2793 -5.21114 -48.8925 -2.32749 -18.6398 -4.2906 -17.7874 -16.8121 TIMING: 1521400 CPU: 4842.15, 0.0031945/step Wall: 4842.15, 0.0031945/step, 3.08678 hours remaining, 237.382812 MB of memory in use. ENERGY: 1521400 3917.6637 20474.9023 14477.8527 271.7211 -203973.9827 2983.7009 0.0000 0.0000 51932.7822 -109915.3597 298.4584 -161848.1420 -109554.9532 298.3582 141.5633 166.4534 762112.8772 -8.0367 -8.2262 PRESSURE: 1521600 -161.671 -86.5706 -87.4114 -86.5704 -479.418 -44.9436 -87.4116 -44.944 -381.637 GPRESSURE: 1521600 -36.9932 -128.96 -40.2856 -29.0808 -459.747 -33.8052 -112.406 -53.2061 -421.734 PRESSAVG: 1521600 46.132 -53.1516 40.1208 -53.1515 -2.26086 21.1006 40.1207 21.1006 38.0438 GPRESSAVG: 1521600 46.6307 -52.2932 41.0635 -53.1118 -2.23595 21.7331 37.0808 20.4744 38.1382 TIMING: 1521600 CPU: 4842.79, 0.00319225/step Wall: 4842.79, 0.00319225/step, 3.08443 hours remaining, 237.382812 MB of memory in use. ENERGY: 1521600 3981.9996 20429.9439 14490.2279 255.7528 -203679.1357 2417.8150 0.0000 0.0000 52029.8801 -110073.5163 299.0164 -162103.3964 -109709.2941 297.9553 -340.9087 -306.1581 761158.5065 27.3050 27.5110 PRESSURE: 1521800 -82.0613 -207.374 -394.094 -207.375 -265.2 1.77976 -394.094 1.77951 -63.3298 GPRESSURE: 1521800 -25.8691 -175.958 -344.347 -250.18 -232.934 102.332 -302.085 -73.6528 -62.529 PRESSAVG: 1521800 0.280071 -50.2862 -29.5164 -50.2863 -6.68084 48.8354 -29.5163 48.8354 -6.19685 GPRESSAVG: 1521800 0.348768 -49.9823 -31.2815 -54.2243 -5.73042 48.545 -27.2331 47.745 -6.99767 TIMING: 1521800 CPU: 4843.43, 0.00320432/step Wall: 4843.43, 0.00320432/step, 3.0959 hours remaining, 237.382812 MB of memory in use. ENERGY: 1521800 4026.1263 20664.6604 14457.0157 246.4600 -203964.1351 2782.7946 0.0000 0.0000 51646.6244 -110140.4537 296.8139 -161787.0781 -109781.7089 298.0765 -136.8637 -107.1106 760050.6263 -4.1992 -4.1264 PRESSURE: 1522000 85.9895 -196.082 268.867 -196.081 273.948 76.5078 268.866 76.5069 -152.947 GPRESSURE: 1522000 2.20659 -155.565 268.789 -235.868 333.788 15.3705 204.432 97.7316 -51.9279 PRESSAVG: 1522000 14.8417 -52.8146 5.0662 -52.8145 6.55992 -8.51817 5.06622 -8.51813 32.1659 GPRESSAVG: 1522000 13.9108 -52.6818 5.91651 -50.6518 7.00574 -7.74751 2.42237 -8.91337 32.7643 TIMING: 1522000 CPU: 4844.07, 0.00318668/step Wall: 4844.07, 0.00318668/step, 3.07869 hours remaining, 237.382812 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: 1522000 3933.2623 20453.6682 14397.4181 239.1413 -204147.5354 2977.2332 0.0000 0.0000 51909.8992 -110236.9132 298.3269 -162146.8124 -109872.7507 297.8136 68.9967 94.6890 760696.6563 17.8558 17.8936 PRESSURE: 1522200 272.128 -75.5781 121.593 -75.5777 -193.363 -23.166 121.594 -23.1654 253.056 GPRESSURE: 1522200 405.18 -155.944 83.2513 -78.1241 -240.44 -53.3593 -114.259 40.9145 256.512 PRESSAVG: 1522200 24.7283 -50.6042 -16.7255 -50.6041 1.51958 -20.4985 -16.7255 -20.4985 -15.3463 GPRESSAVG: 1522200 25.4751 -50.6706 -15.8398 -51.0111 2.16065 -22.0708 -17.0052 -19.0244 -16.2398 TIMING: 1522200 CPU: 4844.7, 0.00318738/step Wall: 4844.7, 0.00318738/step, 3.07919 hours remaining, 237.382812 MB of memory in use. ENERGY: 1522200 3938.5765 20432.0879 14427.1022 242.9959 -203862.0842 2880.0105 0.0000 0.0000 51862.9746 -110078.3366 298.0572 -161941.3112 -109718.3445 298.0242 110.6072 140.4171 760269.0889 3.6339 3.7987 PRESSURE: 1522400 -173.295 224.834 24.473 224.834 -74.9411 -92.8421 24.4725 -92.8439 464.991 GPRESSURE: 1522400 -106.827 203.24 51.1992 165.156 -48.614 -164.461 74.7596 -99.3552 461.657 PRESSAVG: 1522400 61.9799 -8.57913 -35.5513 -8.57919 -28.5562 15.2717 -35.5513 15.2716 19.214 GPRESSAVG: 1522400 62.4418 -9.82046 -37.3393 -9.32161 -29.1026 16.1213 -33.7469 14.5017 19.6085 TIMING: 1522400 CPU: 4845.35, 0.00320759/step Wall: 4845.35, 0.00320759/step, 3.09854 hours remaining, 237.382812 MB of memory in use. ENERGY: 1522400 3971.0671 20310.4780 14425.5099 253.8567 -203735.1131 2668.5158 0.0000 0.0000 51853.2229 -110252.4628 298.0012 -162105.6857 -109888.0981 297.9814 72.2517 102.0720 759818.7985 17.5459 17.6492 PRESSURE: 1522600 -397.702 -90.1141 143.573 -90.1138 -549.016 -320.241 143.574 -320.242 -392.015 GPRESSURE: 1522600 -348.252 -49.7661 136.439 -84.3089 -520.25 -288.29 242.755 -283.851 -376.217 PRESSAVG: 1522600 52.1135 2.23876 -45.6014 2.23874 -65.6431 13.8321 -45.6015 13.8321 18.1297 GPRESSAVG: 1522600 53.0348 4.44404 -45.0595 2.49624 -66.776 12.0968 -45.4996 16.8475 18.3701 TIMING: 1522600 CPU: 4845.98, 0.0031892/step Wall: 4845.98, 0.0031892/step, 3.08059 hours remaining, 237.382812 MB of memory in use. ENERGY: 1522600 4051.8917 20422.6861 14378.4809 237.8073 -203037.6541 2078.9459 0.0000 0.0000 51750.2695 -110117.5726 297.4095 -161867.8421 -109757.5995 298.2492 -446.2443 -414.9063 761803.2971 1.5334 1.5430 PRESSURE: 1522800 -400.333 -17.1923 25.4033 -17.1925 -205.127 293.168 25.4037 293.169 -262.959 GPRESSURE: 1522800 -342.288 -34.1962 36.6264 -88.8296 -253.501 213.919 -40.5423 268.236 -200.195 PRESSAVG: 1522800 9.00293 -14.7141 5.59086 -14.7142 -30.9507 40.8522 5.5909 40.8522 1.18189 GPRESSAVG: 1522800 7.83216 -16.4597 7.23684 -13.9498 -29.6984 41.0004 3.89917 36.956 0.748739 TIMING: 1522800 CPU: 4846.62, 0.00319981/step Wall: 4846.62, 0.00319981/step, 3.09066 hours remaining, 237.382812 MB of memory in use. ENERGY: 1522800 4002.1889 20495.9951 14459.4713 253.8804 -203547.1360 2380.0232 0.0000 0.0000 52094.0499 -109861.5271 299.3852 -161955.5771 -109497.2381 298.5233 -289.4733 -265.3278 760459.8621 -6.9220 -7.0392 PRESSURE: 1523000 -330.361 103.748 96.2832 103.747 -173.084 129.881 96.2835 129.881 205.35 GPRESSURE: 1523000 -317.94 47.9638 91.1653 125.538 -115.301 113.973 145.913 235.511 226.688 PRESSAVG: 1523000 16.0652 0.475389 18.831 0.475321 -52.925 27.2925 18.831 27.2925 8.05517 GPRESSAVG: 1523000 17.1475 0.660608 17.9766 -0.560451 -53.3859 27.8221 21.9457 27.3686 7.75868 TIMING: 1523000 CPU: 4847.26, 0.00318623/step Wall: 4847.26, 0.00318623/step, 3.07736 hours remaining, 237.382812 MB of memory in use. ENERGY: 1523000 3994.2981 20412.6119 14378.5510 262.2272 -203423.4199 2500.1817 0.0000 0.0000 52090.4769 -109785.0731 299.3647 -161875.5500 -109417.1680 298.9220 -99.3653 -68.8509 761043.1684 -9.6016 -9.4932 PRESSURE: 1523200 31.2995 59.4837 110.518 59.4833 66.4598 -66.4226 110.518 -66.4216 -369.177 GPRESSURE: 1523200 131.224 131.239 183.976 148.685 76.9973 -51.382 60.7839 -73.6474 -403.431 PRESSAVG: 1523200 19.5525 -4.56924 -31.793 -4.56923 -2.27794 61.3989 -31.7931 61.3989 21.6004 GPRESSAVG: 1523200 19.095 -4.98378 -31.4691 -4.67904 -2.13929 62.1747 -35.7056 61.3865 21.6665 TIMING: 1523200 CPU: 4847.9, 0.00319678/step Wall: 4847.9, 0.00319678/step, 3.08738 hours remaining, 237.382812 MB of memory in use. ENERGY: 1523200 4000.2041 20623.1853 14394.6997 253.2200 -203643.6599 2709.7640 0.0000 0.0000 51866.2483 -109796.3386 298.0760 -161662.5869 -109433.1110 298.9751 -90.4727 -65.0698 760035.9728 12.9583 12.8741 PRESSURE: 1523400 372.402 -293.205 44.7357 -293.205 -135.406 72.8676 44.7344 72.8674 40.6246 GPRESSURE: 1523400 370.828 -228.726 37.4066 -210.799 -66.18 48.9248 70.1079 73.2876 40.6018 PRESSAVG: 1523400 78.8151 -57.5547 -42.8006 -57.5547 -6.41438 70.1294 -42.8006 70.1294 -18.9646 GPRESSAVG: 1523400 78.6095 -58.2717 -42.0834 -57.7736 -6.92814 70.4489 -40.2846 69.857 -18.3733 TIMING: 1523400 CPU: 4848.55, 0.00322509/step Wall: 4848.55, 0.00322509/step, 3.11454 hours remaining, 237.382812 MB of memory in use. ENERGY: 1523400 3979.3233 20544.6820 14355.0153 250.5626 -203233.9532 2320.3948 0.0000 0.0000 51862.1306 -109921.8446 298.0524 -161783.9752 -109555.4481 298.7748 92.5401 115.0833 759698.9713 17.8120 17.7694 PRESSURE: 1523600 334.166 -164.601 -91.5364 -164.602 56.6823 140.452 -91.5363 140.453 205.863 GPRESSURE: 1523600 354.49 -188.367 -73.2905 -172.058 119.595 193.05 -34.5491 61.7097 209.978 PRESSAVG: 1523600 54.5668 -43.1773 -45.3023 -43.1772 -56.0853 54.1592 -45.3022 54.1592 -2.00241 GPRESSAVG: 1523600 53.8927 -44.6678 -46.1709 -44.4496 -54.9412 53.1844 -46.6168 55.7073 -2.68732 TIMING: 1523600 CPU: 4849.19, 0.00322531/step Wall: 4849.19, 0.00322531/step, 3.11457 hours remaining, 237.382812 MB of memory in use. ENERGY: 1523600 4017.2814 20545.3892 14371.1221 260.7737 -203219.4453 2394.8683 0.0000 0.0000 51806.2351 -109823.7755 297.7311 -161630.0106 -109468.7518 298.5547 198.9038 228.0207 759359.0603 -1.1736 -1.2453 PRESSURE: 1523800 -337.723 -46.2171 -54.2667 -46.2173 -346.954 62.466 -54.2656 62.4659 -436.239 GPRESSURE: 1523800 -240.719 0.473779 -17.0653 35.6353 -335.833 23.9575 -123.167 -86.5503 -451.283 PRESSAVG: 1523800 5.16791 -79.6707 12.1973 -79.6706 6.69262 -40.3992 12.1973 -40.3992 -21.2806 GPRESSAVG: 1523800 4.8082 -77.7303 12.8271 -78.5578 5.93687 -40.7931 13.0675 -41.0471 -21.015 TIMING: 1523800 CPU: 4849.83, 0.0032051/step Wall: 4849.83, 0.0032051/step, 3.09488 hours remaining, 237.382812 MB of memory in use. ENERGY: 1523800 4069.6089 20495.1430 14447.4326 260.3777 -203486.2809 2366.3649 0.0000 0.0000 52165.6630 -109681.6909 299.7968 -161847.3539 -109322.1508 299.0385 -373.6389 -342.6115 760743.3718 -3.1400 -3.4233 PRESSURE: 1524000 59.9544 184.237 -12.9506 184.236 39.5647 -66.0343 -12.9499 -66.0349 122.728 GPRESSURE: 1524000 49.2367 132.929 115.537 153.49 48.904 -72.0033 -22.1931 40.4143 200.1 PRESSAVG: 1524000 26.0151 2.28677 -13.1378 2.28672 -28.2017 42.9144 -13.1377 42.9144 4.31372 GPRESSAVG: 1524000 26.3479 1.80365 -11.8177 1.77708 -29.387 43.4812 -14.8126 41.6387 4.8046 TIMING: 1524000 CPU: 4850.47, 0.0031976/step Wall: 4850.47, 0.0031976/step, 3.08746 hours remaining, 237.382812 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: 1524000 3958.4913 20449.5329 14458.0328 262.6074 -203360.6304 2540.6872 0.0000 0.0000 52077.4665 -109613.8122 299.2899 -161691.2787 -109249.7066 299.1395 74.0824 99.4136 761795.0939 0.7090 0.5885 PRESSURE: 1524200 21.8041 78.0431 -78.3582 78.0425 37.1029 19.928 -78.3582 19.9275 -9.27014 GPRESSURE: 1524200 5.45067 -15.9559 -150.032 53.4342 26.5229 43.449 110.771 85.3067 120.313 PRESSAVG: 1524200 -9.49827 10.0034 30.8438 10.0034 47.8804 -0.649944 30.8437 -0.649961 -6.36364 GPRESSAVG: 1524200 -8.71472 10.4251 28.781 9.71947 48.3348 -0.0493652 32.7442 1.46513 -7.63913 TIMING: 1524200 CPU: 4851.11, 0.00320007/step Wall: 4851.11, 0.00320007/step, 3.08967 hours remaining, 237.382812 MB of memory in use. ENERGY: 1524200 3897.1663 20455.5662 14497.7616 249.5072 -203921.6268 2946.6659 0.0000 0.0000 52211.3422 -109663.6173 300.0593 -161874.9595 -109301.2676 299.0275 16.5456 50.7621 761493.6681 10.6728 10.6603 LDB: ============= START OF LOAD BALANCING ============== 4863.57 LDB: ============== END OF LOAD BALANCING =============== 4863.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4863.57 LDB: ============= START OF LOAD BALANCING ============== 4863.89 LDB: Largest compute 7060 load 0.038374 is 19.7% of average load 0.195271 LDB: Average compute 0.004431 is 2.3% of average load 0.195271 LDB: TIME 4863.9 LOAD: AVG 0.195271 MAX 0.215112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.383 MB LDB: TIME 4863.9 LOAD: AVG 0.195271 MAX 0.215112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: TIME 4863.9 LOAD: AVG 0.195271 MAX 0.215112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.383 MB LDB: ============== END OF LOAD BALANCING =============== 4863.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4863.9 PRESSURE: 1524400 -148.199 -266.752 -6.57337 -266.752 64.2381 75.5104 -6.57334 75.5101 -81.698 GPRESSURE: 1524400 -127.339 -214.067 36.8824 -162.263 133.044 32.9922 40.2529 126.987 -80.7433 PRESSAVG: 1524400 2.00628 -0.965244 -8.18542 -0.96519 -3.51395 44.3601 -8.18543 44.3601 -14.066 GPRESSAVG: 1524400 1.11634 -2.55645 -7.78627 1.46218 -2.94195 41.6113 -8.21141 45.4836 -13.7843 TIMING: 1524400 CPU: 4851.77, 0.00327919/step Wall: 4851.77, 0.00327919/step, 3.16588 hours remaining, 237.382812 MB of memory in use. ENERGY: 1524400 4017.4431 20504.7278 14518.9705 258.9155 -203879.7955 2728.1900 0.0000 0.0000 52315.5828 -109535.9659 300.6584 -161851.5486 -109169.5197 299.3727 -55.2197 -25.0128 759904.0328 -5.1912 -5.2033 PRESSURE: 1524600 -48.1481 -166.205 -42.8526 -166.205 17.6182 -42.3851 -42.8531 -42.3864 -48.8602 GPRESSURE: 1524600 24.7405 -159.186 28.5519 -105.994 -3.01283 -123.951 -105.076 -68.2918 -23.5836 PRESSAVG: 1524600 -16.2627 -8.28446 -53.6409 -8.2845 19.8652 37.5186 -53.641 37.5186 30.1399 GPRESSAVG: 1524600 -16.0564 -5.68744 -54.5622 -8.72925 19.5651 40.0609 -52.8024 35.2644 30.178 TIMING: 1524600 CPU: 4852.41, 0.0032213/step Wall: 4852.41, 0.0032213/step, 3.10981 hours remaining, 237.382812 MB of memory in use. ENERGY: 1524600 3880.1584 20521.9151 14528.7930 226.6776 -203366.4258 2483.6924 0.0000 0.0000 52186.4323 -109538.7570 299.9161 -161725.1893 -109171.3829 299.4288 -26.4634 -0.6187 760627.7327 11.2475 11.2289 PRESSURE: 1524800 -45.9984 290.487 -10.9993 290.486 -236.231 -103.427 -10.9993 -103.428 -331.672 GPRESSURE: 1524800 -24.0512 231.954 -26.6993 397.459 -155.239 -25.598 -40.0977 -78.8434 -359.793 PRESSAVG: 1524800 4.74566 11.1504 -58.0473 11.1504 -8.55427 16.7676 -58.0473 16.7674 0.353239 GPRESSAVG: 1524800 3.63001 10.3215 -57.9349 11.2916 -8.88227 18.1231 -58.2347 15.4722 1.32683 TIMING: 1524800 CPU: 4853.05, 0.00320288/step Wall: 4853.05, 0.00320288/step, 3.09185 hours remaining, 237.382812 MB of memory in use. ENERGY: 1524800 3998.1352 20519.2636 14349.8515 268.0783 -203382.0066 2434.8617 0.0000 0.0000 52253.8837 -109557.9326 300.3038 -161811.8163 -109180.7042 299.6311 -204.6339 -179.6944 762043.1946 -1.1518 -1.3085 PRESSURE: 1525000 -293.624 -177.662 -87.9865 -177.662 -281.859 97.8534 -87.9873 97.8526 -312.503 GPRESSURE: 1525000 -204.028 -25.5691 -122.999 -182.741 -273.726 126.948 -26.7912 192.894 -308.108 PRESSAVG: 1525000 115.801 17.9666 -38.8058 17.9667 -79.4621 -6.5081 -38.8058 -6.50809 -8.93814 GPRESSAVG: 1525000 116.784 17.4829 -38.4025 17.7369 -79.4648 -8.65491 -39.2968 -4.19623 -9.63122 TIMING: 1525000 CPU: 4853.69, 0.00320267/step Wall: 4853.69, 0.00320267/step, 3.09146 hours remaining, 237.382812 MB of memory in use. ENERGY: 1525000 4045.3302 20504.1493 14456.1634 241.1196 -203199.2931 2413.2470 0.0000 0.0000 51956.9733 -109582.3103 298.5974 -161539.2837 -109217.1638 299.4402 -295.9955 -261.9538 761406.4474 9.1335 9.2295 PRESSURE: 1525200 3.37351 -226.389 -48.4427 -226.389 -75.3383 -174.491 -48.4431 -174.491 239.745 GPRESSURE: 1525200 -12.5721 -314.22 11.352 -150.425 51.5344 -157.736 -1.19566 -161.772 226.89 PRESSAVG: 1525200 -21.016 -2.10165 -16.6759 -2.10159 -3.23205 -0.906323 -16.6759 -0.90631 -4.23366 GPRESSAVG: 1525200 -21.7386 -1.17701 -16.0012 -3.00766 -2.85611 0.952029 -17.948 0.203159 -3.76793 TIMING: 1525200 CPU: 4854.33, 0.00320852/step Wall: 4854.33, 0.00320852/step, 3.09693 hours remaining, 237.382812 MB of memory in use. ENERGY: 1525200 3979.8861 20519.7846 14447.1655 252.2382 -203680.3679 2771.3339 0.0000 0.0000 52111.1319 -109598.8278 299.4834 -161709.9597 -109236.2173 298.9587 55.9268 88.6175 760862.7587 -9.4939 -9.4542 PRESSURE: 1525400 -462.419 -110.268 -27.4712 -110.269 -42.8469 -51.873 -27.471 -51.8726 60.3159 GPRESSURE: 1525400 -449.659 -105.709 -61.0261 -36.9423 68.9657 -29.3315 -40.8393 -75.8292 23.2946 PRESSAVG: 1525400 46.7587 -49.1485 -3.34857 -49.1485 -46.5213 -32.5115 -3.34856 -32.5114 -6.29863 GPRESSAVG: 1525400 48.8159 -50.3808 -3.71658 -48.626 -46.5777 -35.2759 -0.4775 -33.4467 -8.01108 TIMING: 1525400 CPU: 4854.97, 0.00319753/step Wall: 4854.97, 0.00319753/step, 3.08615 hours remaining, 237.382812 MB of memory in use. ENERGY: 1525400 3981.3255 20618.5891 14436.3436 262.3278 -203337.5375 2381.6677 0.0000 0.0000 52264.5824 -109392.7014 300.3653 -161657.2838 -109036.0766 299.5098 -148.3167 -119.1330 762551.6356 -2.0204 -1.9243 PRESSURE: 1525600 19.0796 12.828 -63.782 12.8277 121.646 -26.8535 -63.7822 -26.853 200.304 GPRESSURE: 1525600 15.536 64.5569 -20.733 -23.7867 195.747 68.8289 -165.738 45.7772 190.37 PRESSAVG: 1525600 12.6726 11.3588 -45.5282 11.3589 2.74038 12.657 -45.5282 12.657 -14.1047 GPRESSAVG: 1525600 11.8653 11.2439 -44.1742 11.8114 2.2884 12.8434 -47.4407 11.0635 -12.5239 TIMING: 1525600 CPU: 4855.61, 0.00320249/step Wall: 4855.61, 0.00320249/step, 3.09076 hours remaining, 237.382812 MB of memory in use. ENERGY: 1525600 4073.3331 20431.3725 14479.9828 228.0699 -203193.1259 2423.0447 0.0000 0.0000 52156.1712 -109401.1518 299.7422 -161557.3230 -109037.4469 299.8561 113.6764 133.8841 762851.1420 0.4361 0.5433 PRESSURE: 1525800 -158.691 158.063 186.634 158.064 -353.584 -117.156 186.634 -117.155 137.502 GPRESSURE: 1525800 -48.5344 161.852 191.298 139.324 -321.541 -132.171 178.397 -43.6004 88.8297 PRESSAVG: 1525800 36.974 4.8982 1.85924 4.89816 7.3843 -25.016 1.85924 -25.016 16.6319 GPRESSAVG: 1525800 37.9495 3.77525 -0.292399 4.65731 7.16877 -23.5255 2.70923 -24.2939 15.6505 TIMING: 1525800 CPU: 4856.25, 0.00319314/step Wall: 4856.25, 0.00319314/step, 3.08156 hours remaining, 237.382812 MB of memory in use. ENERGY: 1525800 4064.3687 20649.9269 14440.4291 246.0854 -203199.9237 2737.8713 0.0000 0.0000 51815.1635 -109246.0787 297.7825 -161061.2422 -108893.9268 299.6418 -124.9244 -93.7486 762006.8323 20.3301 20.2562 PRESSURE: 1526000 -371.325 113.834 -16.3564 113.834 70.8411 116.096 -16.3573 116.096 66.0173 GPRESSURE: 1526000 -310.169 181.476 -29.9065 105.699 121.663 144.22 11.134 -24.932 65.6618 PRESSAVG: 1526000 3.22091 16.0252 -8.08572 16.0251 12.7353 47.8545 -8.08573 47.8545 -1.1155 GPRESSAVG: 1526000 2.54892 15.8804 -6.67713 16.0305 12.5297 46.7937 -8.2737 47.1386 -0.764015 TIMING: 1526000 CPU: 4856.89, 0.0031971/step Wall: 4856.89, 0.0031971/step, 3.0852 hours remaining, 237.382812 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: 1526000 3994.6099 20560.5397 14431.3912 261.1273 -203189.5430 2466.7346 0.0000 0.0000 51899.4563 -109575.6840 298.2669 -161475.1403 -109209.7770 299.3502 -78.1555 -40.9481 761210.8525 4.9469 4.7715 PRESSURE: 1526200 -382.255 -63.9774 57.2534 -63.9777 -303.822 -15.2231 57.2521 -15.2233 244.839 GPRESSURE: 1526200 -232.346 -103.537 74.9578 -130.008 -282.492 -173.721 150.32 105.287 156.788 PRESSAVG: 1526200 48.6493 0.0893395 -25.3253 0.0893616 -42.2858 -12.7352 -25.3253 -12.7353 -1.22813 GPRESSAVG: 1526200 48.6404 1.60256 -26.2309 0.346991 -42.0118 -13.049 -24.4769 -11.9262 -1.44939 TIMING: 1526200 CPU: 4857.53, 0.00320921/step Wall: 4857.53, 0.00320921/step, 3.09671 hours remaining, 237.382812 MB of memory in use. ENERGY: 1526200 4020.8746 20652.4735 14388.2765 246.5924 -203344.2223 2402.6611 0.0000 0.0000 52337.7808 -109295.5635 300.7859 -161633.3443 -108931.3751 299.5038 -147.0794 -119.3500 761225.4078 1.7118 1.7264 PRESSURE: 1526400 580.387 -46.4068 16.3758 -46.4065 31.1261 77.1297 16.3758 77.1298 266.355 GPRESSURE: 1526400 545.096 -70.1658 16.8893 -12.0502 112.461 6.28162 -30.7489 -66.6257 298.235 PRESSAVG: 1526400 9.15399 31.2122 33.0258 31.2122 16.038 -7.55586 33.0258 -7.55586 16.3497 GPRESSAVG: 1526400 9.56049 30.6153 33.4722 30.0361 15.8866 -7.4979 31.3961 -9.04006 15.9284 TIMING: 1526400 CPU: 4858.18, 0.00322321/step Wall: 4858.18, 0.00322321/step, 3.11004 hours remaining, 237.382812 MB of memory in use. ENERGY: 1526400 3990.6490 20630.9708 14438.8152 254.1315 -203793.1875 2800.6618 0.0000 0.0000 52261.3723 -109416.5870 300.3468 -161677.9593 -109059.3707 300.1844 292.6230 318.5974 760458.8710 13.8472 13.7918 PRESSURE: 1526600 107.854 217.842 30.802 217.842 103.76 45.9949 30.8019 45.9956 -40.0345 GPRESSURE: 1526600 191.425 106.912 -11.2588 148.886 150.63 98.9928 121.259 16.4615 -71.5929 PRESSAVG: 1526600 -46.442 51.7498 28.3093 51.7498 32.2764 -9.0977 28.3093 -9.0978 3.20359 GPRESSAVG: 1526600 -46.7734 51.298 27.4592 51.3986 32.2713 -8.31448 27.382 -8.51359 3.30597 TIMING: 1526600 CPU: 4858.82, 0.00321827/step Wall: 4858.82, 0.00321827/step, 3.1051 hours remaining, 237.382812 MB of memory in use. ENERGY: 1526600 3974.0195 20593.3215 14470.1888 236.2664 -203188.2424 2503.6827 0.0000 0.0000 51948.3776 -109462.3859 298.5480 -161410.7635 -109102.0184 299.8169 57.1932 90.1541 760876.8322 -3.6540 -3.7320 PRESSURE: 1526800 -128.511 120.084 198.96 120.084 207.825 79.5462 198.96 79.5464 254.196 GPRESSURE: 1526800 -54.2483 100.502 218.939 132.372 210.736 116.362 319.758 123.132 262.028 PRESSAVG: 1526800 -20.9381 65.7385 47.9529 65.7386 6.81498 69.8891 47.9529 69.8891 17.1608 GPRESSAVG: 1526800 -20.8569 65.2337 48.2912 67.0906 6.85864 69.8787 47.8296 70.1177 17.2752 TIMING: 1526800 CPU: 4859.46, 0.00318684/step Wall: 4859.46, 0.00318684/step, 3.07459 hours remaining, 237.382812 MB of memory in use. ENERGY: 1526800 3968.2114 20623.6177 14449.2855 246.8329 -203780.3044 2678.2054 0.0000 0.0000 52270.8101 -109543.3414 300.4011 -161814.1515 -109175.6205 299.4101 111.1700 139.5054 760025.2037 1.0126 1.0923 PRESSURE: 1527000 -33.3578 108.409 150.525 108.409 15.9207 69.2839 150.524 69.2839 -102.295 GPRESSURE: 1527000 -76.5961 118.649 154.042 43.6148 53.8999 94.0866 137.436 12.4622 -14.6163 PRESSAVG: 1527000 -28.5082 4.35185 63.678 4.35181 49.3119 -22.1133 63.678 -22.1132 17.1577 GPRESSAVG: 1527000 -28.9946 5.78397 63.7875 5.38317 49.6881 -22.4603 66.2198 -21.6354 17.2703 TIMING: 1527000 CPU: 4860.1, 0.00317849/step Wall: 4860.1, 0.00317849/step, 3.06636 hours remaining, 237.382812 MB of memory in use. ENERGY: 1527000 4029.3838 20527.4081 14420.5584 252.6657 -203138.8482 2364.7188 0.0000 0.0000 52241.8445 -109302.2689 300.2346 -161544.1134 -108934.2547 299.7015 -39.9108 -12.4375 761590.1034 12.6538 12.6546 PRESSURE: 1527200 -143.741 -143.316 -64.763 -143.317 -189.471 -75.1535 -64.7636 -75.1528 -38.8694 GPRESSURE: 1527200 -100.275 -107.086 -19.1092 -132.476 -175.819 -101.863 -98.2957 -104.948 -11.4581 PRESSAVG: 1527200 14.4712 25.1181 1.0596 25.1182 -7.57863 -38.1405 1.05961 -38.1404 35.1629 GPRESSAVG: 1527200 14.1738 24.3597 3.75732 24.2758 -6.16733 -38.8925 -2.2399 -37.1536 34.0704 TIMING: 1527200 CPU: 4860.74, 0.00320102/step Wall: 4860.74, 0.00320102/step, 3.08791 hours remaining, 237.382812 MB of memory in use. ENERGY: 1527200 4051.0527 20761.7657 14378.8945 252.7091 -203475.5207 2535.6006 0.0000 0.0000 51951.9560 -109543.5420 298.5686 -161495.4980 -109184.0897 299.8344 -124.0273 -95.8507 761187.0840 14.0185 14.0256 PRESSURE: 1527400 -146.427 -79.329 -157.074 -79.3289 -312.838 82.059 -157.073 82.0597 -85.9474 GPRESSURE: 1527400 -85.4008 -13.6191 -208.036 142.874 -302.833 55.9353 -73.5594 13.1291 -84.8411 PRESSAVG: 1527400 -15.1182 -26.8796 -15.3352 -26.8796 49.6299 53.5396 -15.3352 53.5396 0.531396 GPRESSAVG: 1527400 -14.8152 -24.8809 -18.4675 -26.5658 48.6829 54.1281 -12.1625 50.6377 1.70863 TIMING: 1527400 CPU: 4861.38, 0.00320237/step Wall: 4861.38, 0.00320237/step, 3.08904 hours remaining, 237.382812 MB of memory in use. ENERGY: 1527400 3992.7664 20738.3829 14414.1829 265.7252 -203213.5812 2364.7288 0.0000 0.0000 51947.5490 -109490.2461 298.5433 -161437.7951 -109125.0019 300.0552 -181.7374 -157.6916 762420.5256 11.6810 11.8588 PRESSURE: 1527600 81.0393 144.503 -202.737 144.502 -39.5392 -117.424 -202.737 -117.424 9.03001 GPRESSURE: 1527600 189.929 109.205 -277.329 34.0316 -31.2633 -68.282 -80.3739 -103.178 -42.4517 PRESSAVG: 1527600 -31.2435 -24.6089 10.2245 -24.6089 45.2449 9.14465 10.2245 9.14456 2.69738 GPRESSAVG: 1527600 -29.3571 -25.3061 10.512 -25.6951 44.7684 7.56398 10.0296 10.1862 1.16681 TIMING: 1527600 CPU: 4862.02, 0.0032212/step Wall: 4862.02, 0.0032212/step, 3.10702 hours remaining, 237.382812 MB of memory in use. ENERGY: 1527600 4049.7593 20637.3841 14437.1070 272.3585 -203443.4890 2590.6319 0.0000 0.0000 51985.2989 -109470.9493 298.7602 -161456.2481 -109098.2667 299.5699 16.8433 38.7378 759558.7470 5.5662 5.5260 PRESSURE: 1527800 -168.414 -85.2815 -20.8588 -85.2813 -195.84 -123.75 -20.8572 -123.749 77.4706 GPRESSURE: 1527800 -73.717 27.5981 55.6416 -55.6095 -146.522 -84.1349 -120.389 -151.575 28.596 PRESSAVG: 1527800 23.7798 -44.9776 17.2171 -44.9776 -13.6409 18.1565 17.2171 18.1566 -16.184 GPRESSAVG: 1527800 22.9494 -45.9309 19.1864 -42.7242 -13.4035 19.7353 14.402 18.5488 -15.4741 TIMING: 1527800 CPU: 4862.66, 0.00320875/step Wall: 4862.66, 0.00320875/step, 3.09484 hours remaining, 237.382812 MB of memory in use. ENERGY: 1527800 4088.5349 20654.8211 14386.2970 243.7185 -203048.6417 2316.6851 0.0000 0.0000 51954.3126 -109404.2725 298.5821 -161358.5851 -109038.8799 299.5689 -95.5944 -63.8811 762680.7125 -2.0150 -1.9761 PRESSURE: 1528000 -64.1195 41.4244 152.574 41.424 -199.196 -175.402 152.574 -175.401 237.318 GPRESSURE: 1528000 9.61042 -22.6419 172.265 7.63068 -125.533 -166.445 123.276 -111.89 176.468 PRESSAVG: 1528000 -8.9762 -6.8993 -34.0214 -6.89929 25.2635 -22.0954 -34.0214 -22.0954 -12.2207 GPRESSAVG: 1528000 -10.1871 -6.16004 -35.4303 -7.83802 24.9041 -22.4982 -31.3772 -20.9578 -10.3444 TIMING: 1528000 CPU: 4863.3, 0.00319825/step Wall: 4863.3, 0.00319825/step, 3.08453 hours remaining, 237.382812 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: 1528000 4012.8488 20503.4833 14480.8365 252.2641 -203285.4510 2497.7099 0.0000 0.0000 52094.8311 -109443.4773 299.3897 -161538.3084 -109076.9773 299.4382 -8.6659 20.1819 761408.9051 1.3555 1.4575 PRESSURE: 1528200 -93.7063 23.6305 -254.978 23.631 177.726 -197.652 -254.978 -197.651 161.888 GPRESSURE: 1528200 -62.3818 -21.8527 -230.024 -28.5351 261.525 -166.856 -151.634 -272.952 121.727 PRESSAVG: 1528200 -29.2139 -14.1078 31.5092 -14.1078 10.031 -22.2115 31.5092 -22.2115 7.69476 GPRESSAVG: 1528200 -28.1762 -14.6498 31.2708 -15.8143 9.63391 -21.8365 32.6769 -21.0777 6.87877 TIMING: 1528200 CPU: 4863.94, 0.00321061/step Wall: 4863.94, 0.00321061/step, 3.09628 hours remaining, 237.382812 MB of memory in use. ENERGY: 1528200 3969.7386 20609.4185 14463.0797 263.3978 -203398.2893 2659.6503 0.0000 0.0000 52007.8909 -109425.1135 298.8901 -161433.0045 -109071.3315 299.0591 81.9691 106.9566 760677.5481 -3.8294 -3.8878 LDB: ============= START OF LOAD BALANCING ============== 4876.4 LDB: ============== END OF LOAD BALANCING =============== 4876.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4876.4 LDB: ============= START OF LOAD BALANCING ============== 4876.72 LDB: Largest compute 7059 load 0.039720 is 20.3% of average load 0.195222 LDB: Average compute 0.004412 is 2.3% of average load 0.195222 LDB: TIME 4876.73 LOAD: AVG 0.195222 MAX 0.213378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 4876.73 LOAD: AVG 0.195222 MAX 0.213378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: TIME 4876.73 LOAD: AVG 0.195222 MAX 0.213378 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.875 MB LDB: ============== END OF LOAD BALANCING =============== 4876.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4876.74 PRESSURE: 1528400 -20.127 78.5966 217.973 78.596 -194.077 -28.8307 217.973 -28.8309 -240.7 GPRESSURE: 1528400 60.8849 46.1464 332.813 67.8176 -194.804 34.2611 122.277 -14.2248 -237.936 PRESSAVG: 1528400 -7.03652 -28.0487 43.095 -28.0488 1.60572 -15.3307 43.0951 -15.3307 8.07141 GPRESSAVG: 1528400 -6.57412 -29.1122 45.0126 -26.5152 2.42045 -14.6357 41.2899 -17.6832 7.18386 TIMING: 1528400 CPU: 4864.6, 0.00327704/step Wall: 4864.6, 0.00327704/step, 3.16016 hours remaining, 237.640625 MB of memory in use. ENERGY: 1528400 3926.2883 20500.9770 14422.0917 243.4505 -203232.0926 2385.2784 0.0000 0.0000 52225.3357 -109528.6708 300.1397 -161754.0066 -109166.1204 299.4762 -151.6347 -123.9519 761519.4398 0.8802 1.0101 PRESSURE: 1528600 -164.833 -198.253 177.542 -198.254 206.157 -55.798 177.542 -55.7973 303.409 GPRESSURE: 1528600 -219.847 -238.845 163.205 -111.686 325.12 0.717155 190.462 -91.8393 317.735 PRESSAVG: 1528600 -15.83 -48.8163 -25.0251 -48.8164 -37.951 -0.544942 -25.0251 -0.544874 19.2731 GPRESSAVG: 1528600 -15.8843 -48.2452 -27.0552 -47.7413 -37.7384 -1.55947 -24.8454 1.92306 19.0933 TIMING: 1528600 CPU: 4865.24, 0.00320622/step Wall: 4865.24, 0.00320622/step, 3.09169 hours remaining, 237.640625 MB of memory in use. ENERGY: 1528600 3962.9116 20534.0809 14467.9279 241.5670 -203447.1616 2787.7916 0.0000 0.0000 52012.4132 -109440.4693 298.9161 -161452.8825 -109069.1413 299.0280 114.9111 141.0028 761449.0091 -11.5026 -11.5098 PRESSURE: 1528800 -234.444 70.8242 119.924 70.8242 -140.062 40.336 119.925 40.3375 105.26 GPRESSURE: 1528800 -231.487 121.743 70.3296 77.3478 -4.76968 59.1282 224.196 92.8156 71.9352 PRESSAVG: 1528800 33.2667 7.16438 1.38973 7.16428 14.6527 5.3815 1.38977 5.38148 11.5801 GPRESSAVG: 1528800 34.2743 7.21988 0.984089 6.08727 12.8516 4.91156 3.69294 5.34514 12.3202 TIMING: 1528800 CPU: 4865.89, 0.00323607/step Wall: 4865.89, 0.00323607/step, 3.12029 hours remaining, 237.640625 MB of memory in use. ENERGY: 1528800 4049.5341 20535.6347 14460.6903 234.4283 -202720.6395 2174.8215 0.0000 0.0000 52094.7109 -109170.8198 299.3890 -161265.5307 -108804.1067 299.8812 -89.7487 -54.7740 761845.7035 19.8332 19.8153 PRESSURE: 1529000 93.1855 -24.9263 38.1436 -24.9266 5.79652 -39.4134 38.1436 -39.4131 -368.837 GPRESSURE: 1529000 69.0497 -72.6865 60.7805 -81.1484 43.9154 -190.037 109.167 -34.1791 -276.372 PRESSAVG: 1529000 44.7268 -34.6806 33.4271 -34.6805 -61.8015 36.6975 33.4271 36.6976 21.9211 GPRESSAVG: 1529000 43.298 -34.537 34.3055 -36.2704 -60.2154 38.9948 32.4892 34.1274 21.7676 TIMING: 1529000 CPU: 4866.53, 0.00321415/step Wall: 4866.53, 0.00321415/step, 3.09897 hours remaining, 237.640625 MB of memory in use. ENERGY: 1529000 3917.0124 20558.4184 14558.5183 234.5910 -203296.5747 2606.5098 0.0000 0.0000 52144.8414 -109276.6833 299.6771 -161421.5248 -108909.0458 300.0755 -89.9517 -54.4688 761102.5990 1.6155 1.6167 PRESSURE: 1529200 -21.0327 -227.089 -218.658 -227.089 363.818 -9.57825 -218.657 -9.57815 207.927 GPRESSURE: 1529200 15.7007 -141.045 -223.082 -221.742 349.539 6.7266 -181.868 124.133 248.771 PRESSAVG: 1529200 -32.9836 -63.8727 9.94862 -63.8727 32.8275 21.9105 9.94859 21.9105 -6.4699 GPRESSAVG: 1529200 -31.784 -62.6559 9.59387 -62.8324 31.7045 19.6575 9.42426 22.2898 -6.68902 TIMING: 1529200 CPU: 4867.18, 0.00322707/step Wall: 4867.18, 0.00322707/step, 3.11125 hours remaining, 237.640625 MB of memory in use. ENERGY: 1529200 3985.6910 20598.6198 14454.6042 250.8445 -203213.8380 2708.1733 0.0000 0.0000 51979.3066 -109236.5986 298.7258 -161215.9052 -108873.5382 299.5701 183.5710 204.6704 762694.7412 -2.2087 -2.2562 PRESSURE: 1529400 25.0218 -28.4551 -85.1839 -28.4549 57.9861 111.546 -85.1841 111.547 249.78 GPRESSURE: 1529400 79.0358 -45.4348 45.7333 -89.8191 55.1794 100.173 -89.8806 92.9105 284.305 PRESSAVG: 1529400 -31.2358 -26.4466 20.4853 -26.4466 22.8114 42.9925 20.4854 42.9924 13.9761 GPRESSAVG: 1529400 -33.4338 -27.0195 22.5615 -26.6552 24.323 42.9123 19.325 42.4723 14.2962 TIMING: 1529400 CPU: 4867.82, 0.00323411/step Wall: 4867.82, 0.00323411/step, 3.11786 hours remaining, 237.640625 MB of memory in use. ENERGY: 1529400 3977.8281 20590.1220 14494.1301 233.5824 -203298.9210 2597.1970 0.0000 0.0000 52092.9624 -109313.0990 299.3790 -161406.0615 -108950.7273 299.7193 110.9294 139.5067 759776.9391 1.8506 1.7284 PRESSURE: 1529600 -66.3997 115.171 292.544 115.17 45.1648 100.696 292.544 100.697 259.081 GPRESSURE: 1529600 -9.45785 70.2426 248.848 -47.9146 62.0922 105.362 276.621 116.386 264.849 PRESSAVG: 1529600 1.90588 -54.5479 -59.5726 -54.548 -3.71428 56.1613 -59.5725 56.1613 8.44393 GPRESSAVG: 1529600 2.92375 -56.7329 -61.5087 -54.2674 -4.72152 57.4389 -60.5533 59.7133 7.95259 TIMING: 1529600 CPU: 4868.47, 0.00323201/step Wall: 4868.47, 0.00323201/step, 3.11566 hours remaining, 237.640625 MB of memory in use. ENERGY: 1529600 4018.1256 20340.7546 14428.0084 255.6043 -203173.9935 2630.4008 0.0000 0.0000 52110.0014 -109391.0984 299.4769 -161501.0999 -109031.2292 299.9114 79.2820 105.8277 761365.1363 2.2118 2.0516 PRESSURE: 1529800 122.062 5.73523 140.553 5.73515 173.626 -333.215 140.553 -333.215 37.9286 GPRESSURE: 1529800 195.544 93.4759 233.99 54.4473 132.65 -395.738 198.883 -290.048 95.6105 PRESSAVG: 1529800 16.8229 -60.9667 -30.0681 -60.9666 15.7152 36.0635 -30.068 36.0634 7.98141 GPRESSAVG: 1529800 18.2348 -58.7308 -30.5464 -60.8825 15.9564 34.7023 -27.2387 33.419 6.28086 TIMING: 1529800 CPU: 4869.11, 0.00322204/step Wall: 4869.11, 0.00322204/step, 3.10587 hours remaining, 237.640625 MB of memory in use. ENERGY: 1529800 3926.3106 20415.2525 14465.1427 253.1916 -203191.8393 2788.1101 0.0000 0.0000 52000.1735 -109343.6583 298.8457 -161343.8318 -108975.9489 299.4355 111.2055 141.2680 763342.4224 13.5065 13.4907 PRESSURE: 1530000 47.7866 -6.88735 -201.547 -6.88661 -70.8272 -73.5387 -201.547 -73.5386 505.443 GPRESSURE: 1530000 -8.81353 -90.7662 -242.916 13.4612 -35.1931 -110.989 -120.806 55.3848 624.028 PRESSAVG: 1530000 -21.7698 -16.3537 -19.7065 -16.3538 17.5462 -13.6637 -19.7065 -13.6637 -13.8232 GPRESSAVG: 1530000 -22.1181 -15.9103 -17.9731 -16.5234 16.3995 -13.4003 -22.9101 -11.5902 -12.3184 TIMING: 1530000 CPU: 4869.76, 0.00321845/step Wall: 4869.76, 0.00321845/step, 3.10223 hours remaining, 237.640625 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: 1530000 3908.5065 20615.5646 14513.4916 259.2854 -203425.8958 2715.2142 0.0000 0.0000 52074.4597 -109339.3739 299.2726 -161413.8336 -108981.5474 299.3609 160.8009 193.3404 761287.4444 -6.0156 -6.0123 PRESSURE: 1530200 -223.413 -65.1517 -84.2595 -65.1507 82.4735 -151.953 -84.2592 -151.955 145.363 GPRESSURE: 1530200 -167.439 -74.3462 -94.2583 -27.6211 114.641 -72.6968 104.424 -107.257 123.556 PRESSAVG: 1530200 0.0614577 -17.1463 1.90477 -17.1463 23.5844 -11.7104 1.90478 -11.7105 15.0791 GPRESSAVG: 1530200 -0.751133 -16.6106 1.65285 -18.6536 24.0785 -10.5703 7.09518 -12.4944 15.0738 TIMING: 1530200 CPU: 4870.4, 0.00321949/step Wall: 4870.4, 0.0032195/step, 3.10306 hours remaining, 237.640625 MB of memory in use. ENERGY: 1530200 3914.6702 20511.2866 14387.1992 237.6788 -203888.9367 2794.0606 0.0000 0.0000 52471.8692 -109572.1721 301.5566 -162044.0413 -109202.7660 299.9159 1.4748 23.5861 759830.6151 12.9083 12.8004 PRESSURE: 1530400 7.3034 97.6019 -36.1562 97.6021 -113.213 -180.758 -36.1563 -180.758 375.165 GPRESSURE: 1530400 49.4793 23.3023 -25.5107 30.0506 -8.22281 -61.8988 3.86692 -146.856 343.118 PRESSAVG: 1530400 -6.64157 -33.3981 31.1111 -33.3981 3.65789 6.57341 31.1112 6.57349 -4.74646 GPRESSAVG: 1530400 -6.98786 -33.0811 31.3382 -30.7457 4.6448 6.85052 27.265 6.72323 -4.06186 TIMING: 1530400 CPU: 4871.04, 0.00320985/step Wall: 4871.04, 0.00320985/step, 3.09358 hours remaining, 237.640625 MB of memory in use. ENERGY: 1530400 4002.7288 20515.1795 14432.9567 235.2876 -203274.3063 2390.3075 0.0000 0.0000 52392.6304 -109305.2158 301.1012 -161697.8462 -108936.2903 299.6771 89.7518 128.1247 762027.5785 -2.5767 -2.1350 PRESSURE: 1530600 70.7277 79.8675 -214.314 79.8666 -66.3609 102.834 -214.313 102.834 -17.2901 GPRESSURE: 1530600 95.6355 -2.48579 -241.933 55.1594 1.16875 179.377 -186.082 90.604 -21.105 PRESSAVG: 1530600 -2.91166 -49.2904 -12.4254 -49.2905 -9.15348 7.55965 -12.4254 7.55971 -14.106 GPRESSAVG: 1530600 -2.49817 -50.124 -14.0025 -51.8954 -8.80441 8.46524 -10.8291 8.40369 -15.346 TIMING: 1530600 CPU: 4871.68, 0.00320893/step Wall: 4871.68, 0.00320892/step, 3.09251 hours remaining, 237.640625 MB of memory in use. ENERGY: 1530600 4086.6880 20360.4060 14380.2453 247.2450 -203263.2350 2588.2105 0.0000 0.0000 52456.8075 -109143.6326 301.4700 -161600.4402 -108773.7557 300.0468 -4.3078 25.2331 759734.5098 -8.7237 -8.8829 PRESSURE: 1530800 -72.9881 -89.4725 -88.9577 -89.4727 11.278 70.4893 -88.9571 70.4903 204.503 GPRESSURE: 1530800 -63.5131 -91.5148 -100.289 -89.5904 38.7668 42.167 -74.1192 -26.0199 253.244 PRESSAVG: 1530800 21.1864 -92.6291 -63.6363 -92.6292 -14.6182 -49.6789 -63.6363 -49.6788 -12.8507 GPRESSAVG: 1530800 21.691 -93.9632 -63.4451 -91.5067 -15.1074 -49.7747 -64.1744 -51.5772 -12.9052 TIMING: 1530800 CPU: 4872.32, 0.00319234/step Wall: 4872.32, 0.00319234/step, 3.07635 hours remaining, 237.640625 MB of memory in use. ENERGY: 1530800 3893.2860 20587.9480 14405.1871 247.5537 -203157.2062 2710.2329 0.0000 0.0000 52143.2473 -109169.7512 299.6680 -161312.9984 -108815.9780 300.1612 47.5977 76.1657 761985.9719 -2.0942 -2.1072 PRESSURE: 1531000 -202.691 79.5746 -148.604 79.5751 -313.445 -8.21355 -148.604 -8.21519 -92.5585 GPRESSURE: 1531000 -234.861 151.65 -83.4272 33.6527 -220.408 32.5207 -107.971 90.4487 -76.1619 PRESSAVG: 1531000 26.0551 -28.3541 -47.3533 -28.3541 6.3235 -8.37009 -47.3533 -8.37011 5.14459 GPRESSAVG: 1531000 25.2239 -26.7328 -46.7536 -27.0498 6.01965 -9.34894 -48.4342 -8.45746 5.67585 TIMING: 1531000 CPU: 4872.97, 0.00321166/step Wall: 4872.97, 0.00321166/step, 3.09479 hours remaining, 237.640625 MB of memory in use. ENERGY: 1531000 3950.9599 20445.1115 14518.3803 259.3805 -202166.5262 2008.9811 0.0000 0.0000 52030.0548 -108953.6582 299.0174 -160983.7130 -108587.9506 300.0937 -202.8981 -177.1435 763694.3567 12.5077 12.3065 PRESSURE: 1531200 -162.236 4.34314 -108.431 4.34296 148.151 -139.841 -108.431 -139.84 -65.1394 GPRESSURE: 1531200 -43.5543 51.4897 10.6332 39.3763 31.4252 -144.953 -103.037 -92.4063 26.796 PRESSAVG: 1531200 -47.0975 -55.4422 19.4009 -55.4422 20.8062 -38.6495 19.4009 -38.6495 11.7527 GPRESSAVG: 1531200 -47.426 -56.537 19.8949 -56.1068 21.4097 -38.733 20.0837 -39.1503 12.1803 TIMING: 1531200 CPU: 4873.61, 0.00322129/step Wall: 4873.61, 0.00322129/step, 3.10389 hours remaining, 237.640625 MB of memory in use. ENERGY: 1531200 3922.8382 20454.2944 14407.7280 229.4847 -202612.1423 2375.2108 0.0000 0.0000 52236.8898 -108985.6964 300.2061 -161222.5862 -108621.8719 300.5283 -26.4081 4.8890 762260.9653 -4.8462 -4.6120 PRESSURE: 1531400 110.856 -8.28747 -135.961 -8.28701 -11.5177 -62.6286 -135.961 -62.6282 -199.013 GPRESSURE: 1531400 108.349 -70.4711 -131.812 -33.6593 133.884 -168.114 -80.7351 -131.944 -258.006 PRESSAVG: 1531400 -21.3159 -31.3327 -7.4816 -31.3327 0.390681 -44.9071 -7.48167 -44.9071 18.4728 GPRESSAVG: 1531400 -21.3784 -31.205 -8.7118 -32.2154 0.311416 -45.3258 -9.12426 -44.4798 18.6976 TIMING: 1531400 CPU: 4874.25, 0.003214/step Wall: 4874.25, 0.003214/step, 3.09669 hours remaining, 237.640625 MB of memory in use. ENERGY: 1531400 3984.8782 20633.8752 14524.6885 244.4087 -203434.6333 2837.6826 0.0000 0.0000 52240.5032 -108968.5970 300.2269 -161209.1001 -108616.5138 300.3185 -33.2247 -5.2578 761395.5471 -0.8175 -0.7898 PRESSURE: 1531600 -482.046 -196.589 -92.4689 -196.589 -75.3928 7.96202 -92.4691 7.96097 -292.876 GPRESSURE: 1531600 -396.061 -131.074 -110.587 -153.039 -46.8625 73.8368 -56.0848 -44.8495 -311.34 PRESSAVG: 1531600 38.9269 -43.1968 25.957 -43.1968 49.5783 -4.78392 25.9569 -4.78401 -12.8683 GPRESSAVG: 1531600 39.9268 -44.237 27.5682 -41.0288 49.7015 -4.53535 25.7206 -2.81603 -14.1505 TIMING: 1531600 CPU: 4874.89, 0.00320912/step Wall: 4874.89, 0.00320912/step, 3.09181 hours remaining, 237.640625 MB of memory in use. ENERGY: 1531600 4026.1979 20362.9134 14404.8481 257.9416 -203005.7902 2316.2839 0.0000 0.0000 52407.2576 -109230.3476 301.1852 -161637.6052 -108866.8364 299.9835 -283.4384 -251.4211 760970.7066 25.2123 25.1593 PRESSURE: 1531800 -664.595 -93.1659 -70.2382 -93.1657 -90.9764 104.753 -70.2382 104.754 -8.39833 GPRESSURE: 1531800 -569.602 -49.2181 -163.734 32.4793 -150.285 150.721 -19.3889 -1.40574 16.6803 PRESSAVG: 1531800 -36.8886 -4.08329 -14.7303 -4.0833 22.3048 8.42458 -14.7303 8.42455 8.32836 GPRESSAVG: 1531800 -38.2284 -2.92394 -16.1022 -6.32105 22.4959 7.95555 -13.2007 7.61961 9.64694 TIMING: 1531800 CPU: 4875.54, 0.0032246/step Wall: 4875.54, 0.0032246/step, 3.10655 hours remaining, 237.640625 MB of memory in use. ENERGY: 1531800 4047.0526 20641.9846 14431.0050 239.7667 -202918.8555 2423.3016 0.0000 0.0000 51968.9069 -109166.8380 298.6660 -161135.7449 -108800.9157 299.9690 -254.6567 -234.4021 762101.4116 -2.0851 -2.0285 PRESSURE: 1532000 -242.716 88.5784 8.62369 88.5772 -406.869 -74.1217 8.62292 -74.1212 -236.664 GPRESSURE: 1532000 -269.557 29.7616 120.12 14.3212 -306.714 -66.0744 -25.1074 -105.616 -225.617 PRESSAVG: 1532000 6.51796 -19.0793 -13.0309 -19.0793 15.6432 -19.018 -13.0308 -19.018 9.99493 GPRESSAVG: 1532000 6.40098 -18.8275 -12.4228 -19.8659 15.6019 -18.4862 -12.6238 -21.5941 10.0013 TIMING: 1532000 CPU: 4876.18, 0.00321492/step Wall: 4876.18, 0.00321492/step, 3.09704 hours remaining, 237.640625 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: 1532000 4003.7043 20405.7534 14503.2675 257.2744 -203133.6695 2476.7795 0.0000 0.0000 52298.0560 -109188.8343 300.5576 -161486.8903 -108827.2824 300.0240 -295.4164 -267.2962 761684.6527 10.7187 10.6681 PRESSURE: 1532200 -260.636 221.178 33.4154 221.179 -141.289 53.4164 33.4153 53.4154 151.577 GPRESSURE: 1532200 -188.356 204.405 4.15002 164.572 -138.468 27.1233 55.2009 121.287 152.305 PRESSAVG: 1532200 40.3842 0.113366 -0.725321 0.113283 -66.8388 39.4062 -0.725264 39.4063 25.1728 GPRESSAVG: 1532200 41.352 -0.344147 -0.535934 0.316673 -67.2086 38.9257 -2.03348 41.8835 24.2074 TIMING: 1532200 CPU: 4876.82, 0.00319122/step Wall: 4876.82, 0.00319122/step, 3.07403 hours remaining, 237.640625 MB of memory in use. ENERGY: 1532200 4009.8683 20330.1383 14409.4420 245.7782 -203045.2465 2377.9043 0.0000 0.0000 52314.8089 -109357.3065 300.6539 -161672.1154 -108991.5718 300.0190 -83.4494 -58.1729 761628.9831 -0.4273 -0.5497 LDB: ============= START OF LOAD BALANCING ============== 4889.28 LDB: ============== END OF LOAD BALANCING =============== 4889.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4889.28 LDB: ============= START OF LOAD BALANCING ============== 4889.6 LDB: Largest compute 7059 load 0.038372 is 19.7% of average load 0.195208 LDB: Average compute 0.004420 is 2.3% of average load 0.195208 LDB: TIME 4889.6 LOAD: AVG 0.195208 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.02 MB LDB: TIME 4889.6 LOAD: AVG 0.195208 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.02 MB LDB: TIME 4889.6 LOAD: AVG 0.195208 MAX 0.213643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.02 MB LDB: ============== END OF LOAD BALANCING =============== 4889.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4889.61 PRESSURE: 1532400 -413.061 -197.173 -219.207 -197.172 -733.47 1.39162 -219.207 1.39188 -504.423 GPRESSURE: 1532400 -412.662 -239.1 -173.744 -115.769 -655.887 -27.8451 -128.01 30.3708 -487.092 PRESSAVG: 1532400 56.1377 -13.0055 -2.10478 -13.0054 -87.3093 -22.8588 -2.1048 -22.8588 4.42884 GPRESSAVG: 1532400 56.6392 -11.0098 -1.43867 -13.7468 -87.9906 -22.4462 -1.98492 -23.8115 4.38493 TIMING: 1532400 CPU: 4877.48, 0.00327141/step Wall: 4877.48, 0.00327141/step, 3.1511 hours remaining, 238.019531 MB of memory in use. ENERGY: 1532400 3979.6778 20498.4364 14493.3346 243.3377 -202828.5208 1979.4900 0.0000 0.0000 52090.2382 -109544.0061 299.3633 -161634.2443 -109190.7317 299.5911 -550.3183 -518.5470 760006.2200 -8.9142 -8.9888 PRESSURE: 1532600 -283.599 114.555 -30.4116 114.555 -101.211 50.9859 -30.4113 50.9858 -120.559 GPRESSURE: 1532600 -199.428 -7.94257 43.1965 166.266 -91.7598 35.7973 94.5679 20.5402 -121.7 PRESSAVG: 1532600 11.1011 -21.6509 6.10314 -21.651 8.92637 -37.279 6.10317 -37.279 13.4372 GPRESSAVG: 1532600 11.6315 -25.0944 6.05548 -18.4407 8.48876 -36.0567 5.81424 -36.6044 13.5206 TIMING: 1532600 CPU: 4878.12, 0.00321033/step Wall: 4878.12, 0.00321033/step, 3.09209 hours remaining, 238.222656 MB of memory in use. ENERGY: 1532600 3905.0032 20516.8921 14462.4963 237.6834 -203306.6744 2534.3281 0.0000 0.0000 52010.9798 -109639.2914 298.9078 -161650.2713 -109272.7318 299.1957 -168.4564 -137.6293 758759.4094 11.1549 11.2136 PRESSURE: 1532800 320.282 -120.521 41.3357 -120.521 121.205 -69.9729 41.3351 -69.9733 82.1559 GPRESSURE: 1532800 471.967 -78.3962 32.1067 -155.283 8.97551 -124.413 -9.05281 -37.8367 129.241 PRESSAVG: 1532800 26.0625 15.3698 15.888 15.3698 16.342 21.6104 15.888 21.6104 18.8516 GPRESSAVG: 1532800 25.6185 16.8158 13.1829 14.0451 15.6576 20.6899 15.5158 20.8317 19.794 TIMING: 1532800 CPU: 4878.76, 0.00318951/step Wall: 4878.76, 0.00318951/step, 3.07185 hours remaining, 238.222656 MB of memory in use. ENERGY: 1532800 3984.8326 20433.0176 14428.8834 257.0496 -202996.1842 2247.6383 0.0000 0.0000 52124.0557 -109520.7070 299.5577 -161644.7626 -109165.2137 298.8445 174.5477 203.3946 759602.8121 20.4187 20.3567 PRESSURE: 1533000 289.026 -97.1883 33.5148 -97.1887 70.6376 -136.934 33.5144 -136.935 -80.6482 GPRESSURE: 1533000 215.491 31.2049 71.0383 -80.2117 197.983 -230.372 35.7038 -127.08 -54.8895 PRESSAVG: 1533000 14.4812 -34.3143 -8.07621 -34.3142 27.5511 -25.8116 -8.07621 -25.8115 27.3381 GPRESSAVG: 1533000 14.2576 -35.7192 -6.51114 -35.2087 29.8145 -26.0832 -7.02802 -26.4518 25.397 TIMING: 1533000 CPU: 4879.39, 0.00319625/step Wall: 4879.39, 0.00319625/step, 3.07817 hours remaining, 238.222656 MB of memory in use. ENERGY: 1533000 3874.6024 20477.3592 14403.4610 242.5643 -202979.0140 2508.1176 0.0000 0.0000 52006.1303 -109466.7791 298.8799 -161472.9095 -109105.7443 299.1570 93.0051 119.5281 760744.2497 23.1235 23.1564 PRESSURE: 1533200 -179.999 -137.338 142.937 -137.338 103.783 -16.8944 142.937 -16.8939 283.565 GPRESSURE: 1533200 -223.342 -318.376 125.313 -165.835 284.83 7.30251 29.1269 -139.908 248.451 PRESSAVG: 1533200 -4.14863 -3.50314 -1.97869 -3.50316 16.8658 10.7018 -1.97867 10.7019 12.7758 GPRESSAVG: 1533200 -4.73024 -2.96188 -1.08512 -2.48478 16.7003 12.7361 -1.69958 11.7636 13.7075 TIMING: 1533200 CPU: 4880.03, 0.00318574/step Wall: 4880.03, 0.00318574/step, 3.06787 hours remaining, 238.222656 MB of memory in use. ENERGY: 1533200 3984.9588 20458.1247 14394.4038 252.8902 -203380.3597 2554.6366 0.0000 0.0000 52085.2418 -109650.1038 299.3346 -161735.3455 -109280.5442 299.2995 69.1164 103.3132 759694.2457 8.4977 8.5592 PRESSURE: 1533400 -1.6814 69.925 54.1002 69.9252 -186.071 -19.834 54.0996 -19.8349 89.3124 GPRESSURE: 1533400 60.3842 117.535 33.3636 115.001 -181.48 135.951 59.188 -78.4232 116.038 PRESSAVG: 1533400 22.8468 -23.7803 18.8697 -23.7803 16.3412 -8.58484 18.8697 -8.58481 -6.08747 GPRESSAVG: 1533400 23.0912 -24.9261 16.9263 -23.2553 16.0792 -10.0875 19.7586 -8.82365 -5.75718 TIMING: 1533400 CPU: 4880.67, 0.00320252/step Wall: 4880.67, 0.00320252/step, 3.08385 hours remaining, 238.222656 MB of memory in use. ENERGY: 1533400 4071.6402 20554.0340 14440.4210 233.7219 -203431.9584 2453.5303 0.0000 0.0000 52039.5059 -109639.1052 299.0718 -161678.6111 -109275.4568 299.3054 -32.8135 -1.6860 759199.8192 11.0335 11.1378 PRESSURE: 1533600 8.40325 -234.441 102.299 -234.443 -316.893 61.269 102.298 61.2688 -180.431 GPRESSURE: 1533600 -44.3177 -106.138 -16.636 -321.327 -198.071 48.9509 88.216 23.4301 -150.957 PRESSAVG: 1533600 21.8328 -16.9253 7.20594 -16.9253 1.32447 3.21172 7.20595 3.21173 1.20154 GPRESSAVG: 1533600 22.252 -15.1879 6.73693 -17.6354 1.56062 2.12973 6.33864 0.969908 0.733408 TIMING: 1533600 CPU: 4881.31, 0.00319152/step Wall: 4881.31, 0.00319152/step, 3.07308 hours remaining, 238.222656 MB of memory in use. ENERGY: 1533600 4067.9169 20518.6815 14424.2026 238.8371 -203390.8394 2458.2433 0.0000 0.0000 51859.1732 -109823.7849 298.0354 -161682.9581 -109459.9419 298.5896 -162.9736 -131.1152 760997.3495 8.1196 8.1820 PRESSURE: 1533800 55.3624 -23.0154 128.248 -23.0147 -16.6007 102.292 128.248 102.29 42.4123 GPRESSURE: 1533800 34.5062 67.8852 221.46 -117.372 82.3756 261.024 202.198 99.1191 43.3038 PRESSAVG: 1533800 36.2035 -45.6688 -27.506 -45.6689 -38.4295 1.90879 -27.506 1.90877 -0.267785 GPRESSAVG: 1533800 37.7781 -44.1076 -24.0872 -46.8617 -39.2977 1.71625 -29.7072 5.63733 -1.32863 TIMING: 1533800 CPU: 4881.95, 0.00319537/step Wall: 4881.95, 0.00319537/step, 3.07661 hours remaining, 238.222656 MB of memory in use. ENERGY: 1533800 3967.4266 20591.2050 14429.0451 244.8680 -203690.1903 2635.4108 0.0000 0.0000 51904.9089 -109917.3259 298.2982 -161822.2348 -109555.6010 298.0475 27.0580 53.3952 760913.6995 -0.8313 -0.9494 PRESSURE: 1534000 -152.196 235.376 -222.142 235.375 -275.943 79.2555 -222.143 79.255 -386.237 GPRESSURE: 1534000 -161.999 268.3 -288.049 109.775 -216.611 45.6957 -208.5 2.1808 -343.644 PRESSAVG: 1534000 -1.36392 -40.227 35.7551 -40.227 33.281 21.0068 35.755 21.0068 9.43809 GPRESSAVG: 1534000 -3.97173 -41.1891 34.6926 -39.0559 33.8499 22.0278 37.3237 19.5523 11.0225 TIMING: 1534000 CPU: 4882.58, 0.00317536/step Wall: 4882.58, 0.00317536/step, 3.05717 hours remaining, 238.222656 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: 1534000 3999.4661 20505.9498 14479.7518 247.6721 -203228.2417 2430.2193 0.0000 0.0000 51636.9343 -109928.2482 296.7582 -161565.1825 -109569.0073 298.1566 -271.4585 -240.7516 761796.4755 13.7851 13.6336 PRESSURE: 1534200 102.999 -49.5227 123.698 -49.5239 -318.757 28.0716 123.697 28.0712 330.345 GPRESSURE: 1534200 165.592 75.9613 99.7883 -88.3326 -231.81 17.421 133.314 -73.4831 255.919 PRESSAVG: 1534200 25.38 -25.4976 -7.0025 -25.4975 -44.7049 -11.8826 -7.00251 -11.8827 9.95399 GPRESSAVG: 1534200 26.5816 -24.6435 -9.23615 -26.357 -45.0284 -12.6882 -5.86248 -12.9466 8.99738 TIMING: 1534200 CPU: 4883.22, 0.00318338/step Wall: 4883.22, 0.00318338/step, 3.06471 hours remaining, 238.222656 MB of memory in use. ENERGY: 1534200 4022.2463 20502.6580 14495.0653 263.7705 -203788.5466 2698.4128 0.0000 0.0000 52023.7419 -109782.6519 298.9812 -161806.3937 -109435.7040 298.4407 38.1959 63.2337 760817.9880 -3.1236 -3.1498 PRESSURE: 1534400 67.5364 0.832132 -157.596 0.832214 -205.903 -11.0489 -157.595 -11.0471 -34.2758 GPRESSURE: 1534400 28.6986 110.738 -196.323 -58.0842 -159.063 30.6324 -131.957 -40.9749 24.0492 PRESSAVG: 1534400 21.244 -24.5331 -1.52681 -24.5331 -39.1148 11.3135 -1.52678 11.3134 -16.5932 GPRESSAVG: 1534400 21.7136 -25.0609 0.151986 -24.9444 -39.5584 11.9559 -3.19075 11.5081 -16.5762 TIMING: 1534400 CPU: 4883.86, 0.00320462/step Wall: 4883.86, 0.00320462/step, 3.08498 hours remaining, 238.222656 MB of memory in use. ENERGY: 1534400 3996.8216 20489.4204 14394.1172 249.2233 -203638.4793 2511.5240 0.0000 0.0000 52029.6935 -109967.6794 299.0154 -161997.3729 -109608.3862 298.5359 -57.5475 -35.4384 760485.4092 -11.4880 -11.4737 PRESSURE: 1534600 572.353 104.981 -231.369 104.98 158.358 -90.3572 -231.369 -90.3557 90.402 GPRESSURE: 1534600 676.467 65.937 -144.772 88.2381 205.928 -70.1289 -157.549 -6.44438 48.5028 PRESSAVG: 1534600 23.8116 33.7404 -9.76507 33.7404 -39.0363 -27.4591 -9.76509 -27.4592 -19.5848 GPRESSAVG: 1534600 23.5742 32.0277 -9.18824 35.1496 -38.7438 -27.374 -8.1903 -26.1484 -19.2839 TIMING: 1534600 CPU: 4884.5, 0.00320871/step Wall: 4884.5, 0.00320871/step, 3.08874 hours remaining, 238.222656 MB of memory in use. ENERGY: 1534600 4030.4438 20534.3616 14468.1810 281.1243 -204059.7754 3020.1544 0.0000 0.0000 51893.7479 -109831.7623 298.2341 -161725.5102 -109463.5426 298.3676 273.7044 310.2995 759472.7329 -11.6032 -11.4845 PRESSURE: 1534800 -113.345 -41.4814 123.753 -41.4811 -22.0955 -37.1807 123.753 -37.1816 -62.298 GPRESSURE: 1534800 -82.6195 29.1481 80.7618 12.899 33.4037 -90.4313 36.0161 -22.5616 -81.646 PRESSAVG: 1534800 70.6881 -51.6016 -39.0299 -51.6016 -87.5587 -53.3484 -39.0298 -53.3485 15.2657 GPRESSAVG: 1534800 69.8157 -49.2968 -41.2509 -50.9419 -87.4575 -54.6397 -39.722 -53.0549 15.6529 TIMING: 1534800 CPU: 4885.15, 0.00321207/step Wall: 4885.15, 0.00321207/step, 3.09179 hours remaining, 238.222656 MB of memory in use. ENERGY: 1534800 3948.5893 20553.1717 14441.3414 249.4814 -203887.3049 2769.9574 0.0000 0.0000 52137.7459 -109787.0180 299.6363 -161924.7638 -109427.0188 299.0996 -65.9129 -43.6206 760329.0747 -0.5350 -0.6629 PRESSURE: 1535000 274.687 -46.0849 -199.778 -46.0848 -216.679 -40.7293 -199.778 -40.7288 256.818 GPRESSURE: 1535000 243.669 -22.4504 -269.951 38.1138 -101.118 -21.0633 -140.101 -70.6374 254.204 PRESSAVG: 1535000 26.1827 -54.361 -46.7582 -54.361 -29.6088 -16.9723 -46.7581 -16.9724 12.0292 GPRESSAVG: 1535000 27.3903 -57.453 -45.261 -53.028 -30.088 -15.6525 -47.4777 -18.766 11.659 TIMING: 1535000 CPU: 4885.79, 0.00320329/step Wall: 4885.79, 0.0032033/step, 3.08317 hours remaining, 238.222656 MB of memory in use. ENERGY: 1535000 3953.5242 20570.6993 14474.7294 256.4391 -203295.5042 2722.1611 0.0000 0.0000 51916.5296 -109401.4215 298.3650 -161317.9511 -109038.5233 298.6994 104.9419 132.2517 762008.7203 2.8677 2.9871 PRESSURE: 1535200 -279.036 -74.3843 -42.9023 -74.3852 -174.729 7.15965 -42.9029 7.16095 115.287 GPRESSURE: 1535200 -127.8 44.7548 -38.4579 -90.5432 -167.414 -34.995 -1.49816 75.4662 82.5949 PRESSAVG: 1535200 -0.978236 -42.0306 -79.4652 -42.0306 45.3802 -45.3056 -79.4652 -45.3056 1.69563 GPRESSAVG: 1535200 -0.235518 -39.199 -79.8595 -45.2911 45.0586 -45.1978 -79.3057 -45.1011 0.846067 TIMING: 1535200 CPU: 4886.43, 0.00321219/step Wall: 4886.43, 0.00321219/step, 3.09156 hours remaining, 238.222656 MB of memory in use. ENERGY: 1535200 3977.4136 20545.4931 14515.5360 229.8567 -203397.7885 2672.5176 0.0000 0.0000 52049.8634 -109407.1081 299.1313 -161456.9715 -109042.2908 299.2906 -112.8259 -70.8732 759525.5589 15.3659 15.2230 PRESSURE: 1535400 430.047 -84.8776 62.4301 -84.8782 -115.965 -114.411 62.4304 -114.412 -104.114 GPRESSURE: 1535400 434.797 -165.551 161.597 -108.77 4.95705 -123.094 60.7367 -104.493 -126.789 PRESSAVG: 1535400 18.1064 -20.6066 -11.5585 -20.6067 3.26463 -35.4794 -11.5586 -35.4795 5.29831 GPRESSAVG: 1535400 17.9705 -20.3912 -12.6597 -20.3178 2.99748 -36.0529 -11.0338 -34.9111 5.90955 TIMING: 1535400 CPU: 4887.07, 0.00320249/step Wall: 4887.07, 0.00320249/step, 3.08204 hours remaining, 238.222656 MB of memory in use. ENERGY: 1535400 4021.2607 20412.4444 14467.8753 245.0246 -203515.4345 2795.6442 0.0000 0.0000 52065.2624 -109507.9230 299.2198 -161573.1854 -109144.9940 299.5522 69.9895 104.3215 760077.3944 8.8898 8.9592 PRESSURE: 1535600 5.369 -271.16 -116.477 -271.16 -60.0869 134.972 -116.477 134.973 -30.4993 GPRESSURE: 1535600 63.8883 -247.735 -45.1133 -220.711 -110.609 132.322 -163.786 107.381 32.091 PRESSAVG: 1535600 49.739 -70.5053 3.85708 -70.5053 -45.9857 26.172 3.85713 26.172 12.5397 GPRESSAVG: 1535600 49.5988 -71.7109 6.82589 -68.9648 -45.2025 24.2004 1.33737 27.2386 12.3972 TIMING: 1535600 CPU: 4887.71, 0.00319821/step Wall: 4887.71, 0.00319821/step, 3.07774 hours remaining, 238.222656 MB of memory in use. ENERGY: 1535600 3982.6056 20492.4448 14419.4863 255.6490 -203015.5531 2253.6789 0.0000 0.0000 51927.2114 -109684.4770 298.4264 -161611.6884 -109318.7359 299.0552 -28.4057 -4.8765 760879.3185 5.4310 5.5978 PRESSURE: 1535800 323.653 -89.1143 96.686 -89.1134 92.6518 4.42408 96.6862 4.42438 271.791 GPRESSURE: 1535800 340.427 -82.1571 83.6462 -141.175 156.436 35.8676 73.5405 -20.0575 277.362 PRESSAVG: 1535800 60.3993 -46.6331 1.24161 -46.6331 -68.0986 7.03812 1.24164 7.03812 9.12783 GPRESSAVG: 1535800 59.9121 -45.8286 0.766482 -47.3746 -68.6447 8.28708 1.385 5.8424 9.44467 TIMING: 1535800 CPU: 4888.35, 0.00320585/step Wall: 4888.35, 0.00320585/step, 3.08492 hours remaining, 238.222656 MB of memory in use. ENERGY: 1535800 3925.6076 20449.8315 14464.7895 257.4891 -203639.1903 2765.4591 0.0000 0.0000 52082.4891 -109693.5244 299.3188 -161776.0134 -109333.7214 298.9033 229.3653 258.0749 760302.6070 0.4762 0.2374 PRESSURE: 1536000 102.496 40.6644 67.6206 40.6645 -50.0628 126.894 67.6209 126.893 -23.0725 GPRESSURE: 1536000 105.112 48.5409 47.6668 141.385 -1.62218 212.003 -114.201 45.3111 5.37225 PRESSAVG: 1536000 25.8438 -56.3241 8.11013 -56.324 17.077 24.1441 8.11013 24.144 -2.76548 GPRESSAVG: 1536000 26.4141 -57.4538 6.52456 -54.0567 16.8039 23.7207 10.5706 23.9997 -3.01648 TIMING: 1536000 CPU: 4888.99, 0.00319856/step Wall: 4888.99, 0.00319856/step, 3.07772 hours remaining, 238.222656 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: 1536000 3921.2258 20494.5431 14477.1538 234.1967 -203267.5983 2538.6611 0.0000 0.0000 51894.5392 -109707.2787 298.2386 -161601.8178 -109364.1731 299.0844 9.7870 36.2873 761633.4615 13.3851 13.4005 PRESSURE: 1536200 58.057 33.1719 85.4239 33.1723 46.9603 41.9509 85.4237 41.9507 483.045 GPRESSURE: 1536200 0.697239 -32.7786 56.1728 -40.0159 194.751 133.002 1.86731 58.1554 486.561 PRESSAVG: 1536200 36.0383 -20.2624 -19.6389 -20.2624 -41.6058 24.2393 -19.639 24.2394 17.4395 GPRESSAVG: 1536200 35.3093 -19.175 -19.0969 -21.9611 -40.5945 24.2764 -20.9986 24.0938 17.3156 TIMING: 1536200 CPU: 4889.64, 0.00322742/step Wall: 4889.64, 0.00322742/step, 3.10531 hours remaining, 238.222656 MB of memory in use. ENERGY: 1536200 3938.2940 20528.1799 14471.1938 262.1214 -203409.2980 2810.0518 0.0000 0.0000 51949.3703 -109450.0869 298.5537 -161399.4571 -109090.9836 298.9637 196.0206 227.3364 761552.7983 3.9573 4.0101 LDB: ============= START OF LOAD BALANCING ============== 4902.09 LDB: ============== END OF LOAD BALANCING =============== 4902.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4902.09 LDB: ============= START OF LOAD BALANCING ============== 4902.42 LDB: Largest compute 7060 load 0.037118 is 19.0% of average load 0.195175 LDB: Average compute 0.004411 is 2.3% of average load 0.195175 LDB: TIME 4902.42 LOAD: AVG 0.195175 MAX 0.213478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 4902.42 LOAD: AVG 0.195175 MAX 0.213478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 4902.42 LOAD: AVG 0.195175 MAX 0.213478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 4902.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4902.43 PRESSURE: 1536400 537.206 88.6287 -123.909 88.629 297.25 -46.3145 -123.909 -46.3155 184.665 GPRESSURE: 1536400 526.256 68.4961 -4.45719 18.3893 338.34 -64.1539 -142.351 -145.06 234.572 PRESSAVG: 1536400 60.9416 -27.4314 23.5168 -27.4314 -15.0317 -52.5476 23.5167 -52.5476 -5.23817 GPRESSAVG: 1536400 60.6061 -27.7995 23.6005 -27.3798 -15.0354 -51.9478 25.4756 -52.2014 -5.49204 TIMING: 1536400 CPU: 4890.29, 0.00327323/step Wall: 4890.29, 0.00327323/step, 3.14921 hours remaining, 238.722656 MB of memory in use. ENERGY: 1536400 4000.0203 20564.6656 14470.7430 243.2185 -203435.9577 2786.4201 0.0000 0.0000 52051.7476 -109319.1426 299.1421 -161370.8902 -108957.3725 299.2148 339.7073 366.3894 760392.0823 13.5572 13.3595 PRESSURE: 1536600 418.09 -198.084 94.9572 -198.083 -223.404 -219.501 94.9576 -219.502 129.616 GPRESSURE: 1536600 405.242 -364.136 120.191 -183.78 -133.196 -287.378 20.6101 -74.2146 146.092 PRESSAVG: 1536600 58.2186 -25.9996 -21.4188 -25.9995 -26.7846 -26.3989 -21.4188 -26.3989 -19.5145 GPRESSAVG: 1536600 57.2734 -27.8527 -21.1667 -26.0518 -26.762 -24.8231 -24.0109 -26.9493 -18.6677 TIMING: 1536600 CPU: 4890.93, 0.00320545/step Wall: 4890.93, 0.00320545/step, 3.08382 hours remaining, 238.792969 MB of memory in use. ENERGY: 1536600 3976.7625 20552.8396 14471.7009 265.3163 -203326.7032 2494.4690 0.0000 0.0000 52125.3501 -109440.2647 299.5651 -161565.6148 -109079.9856 299.5858 108.1010 139.3793 760543.4804 3.9732 3.9479 PRESSURE: 1536800 294.123 -63.0981 143.484 -63.0986 163.014 -62.3104 143.484 -62.311 -234.911 GPRESSURE: 1536800 278.283 66.2099 146.005 -38.6344 186.64 -76.7421 258.143 -35.8657 -172.686 PRESSAVG: 1536800 -43.3657 -44.839 -17.2151 -44.839 74.5597 2.27098 -17.215 2.271 10.5108 GPRESSAVG: 1536800 -42.3449 -43.163 -17.0821 -44.5202 73.4511 -0.160554 -13.7505 4.80595 10.3885 TIMING: 1536800 CPU: 4891.57, 0.00319917/step Wall: 4891.57, 0.00319917/step, 3.0776 hours remaining, 238.792969 MB of memory in use. ENERGY: 1536800 3965.2911 20645.7586 14484.3187 243.1155 -203204.4053 2560.5862 0.0000 0.0000 51824.7161 -109480.6190 297.8374 -161305.3351 -109126.9219 299.0846 74.0750 97.4128 761999.7037 13.9016 13.8316 PRESSURE: 1537000 -260.952 130.976 -82.1166 130.975 -475.259 -140.872 -82.1162 -140.871 -565.012 GPRESSURE: 1537000 -307.338 82.0261 -100.392 81.9777 -376.81 -130.019 -83.6278 -175.487 -532.967 PRESSAVG: 1537000 -25.3201 -15.3295 -51.7085 -15.3294 39.5726 -22.0305 -51.7084 -22.0305 12.9336 GPRESSAVG: 1537000 -25.1324 -15.5699 -51.4624 -15.3141 40.8843 -20.49 -54.4886 -24.3067 12.1088 TIMING: 1537000 CPU: 4892.21, 0.00318095/step Wall: 4892.21, 0.00318095/step, 3.0599 hours remaining, 238.792969 MB of memory in use. ENERGY: 1537000 4008.0546 20584.3745 14355.9162 246.5929 -203003.8562 2317.1958 0.0000 0.0000 52047.2473 -109444.4749 299.1162 -161491.7222 -109085.1718 299.0302 -433.7411 -405.7052 763109.8049 9.0620 9.2869 PRESSURE: 1537200 -187.974 -106.98 -76.412 -106.98 -277.322 97.02 -76.4122 97.02 200.376 GPRESSURE: 1537200 -153.59 -140.229 -167.547 -249.873 -267.347 131.056 21.829 120.618 235.053 PRESSAVG: 1537200 11.3078 -58.2733 -32.4838 -58.2733 -36.3939 18.4293 -32.4838 18.4293 -8.15556 GPRESSAVG: 1537200 11.1548 -58.2689 -32.5662 -58.231 -37.4005 19.8717 -32.8772 15.8886 -7.222 TIMING: 1537200 CPU: 4892.84, 0.00318283/step Wall: 4892.84, 0.00318283/step, 3.06153 hours remaining, 238.792969 MB of memory in use. ENERGY: 1537200 3995.0637 20524.0110 14487.4271 244.8649 -203223.9402 2439.4898 0.0000 0.0000 51952.5268 -109580.5568 298.5719 -161533.0836 -109225.2897 299.2572 -88.3069 -61.9614 761436.7213 -11.0806 -11.1559 PRESSURE: 1537400 -58.6581 -250.668 128.809 -250.668 32.9809 68.1292 128.809 68.13 268.451 GPRESSURE: 1537400 -32.5413 -113.465 60.4891 -198.138 149.753 -29.5398 174.256 -27.7019 212.553 PRESSAVG: 1537400 -45.0431 -50.7185 -4.53438 -50.7184 14.9961 -52.8871 -4.53438 -52.887 -10.0524 GPRESSAVG: 1537400 -44.969 -49.3495 -5.32881 -52.6291 14.7995 -54.9124 -4.31725 -51.1442 -10.3842 TIMING: 1537400 CPU: 4893.48, 0.00318243/step Wall: 4893.48, 0.00318243/step, 3.06097 hours remaining, 238.792969 MB of memory in use. ENERGY: 1537400 3883.8514 20547.3639 14502.8679 226.2978 -203616.5811 2721.6584 0.0000 0.0000 52243.5808 -109490.9608 300.2446 -161734.5416 -109131.5879 298.8585 80.9247 109.9216 760414.5283 -13.3665 -13.5179 PRESSURE: 1537600 98.4377 -61.4159 31.4692 -61.4148 -331.399 -118.227 31.4683 -118.227 -90.1112 GPRESSURE: 1537600 31.9815 -16.3359 -23.8384 -134.913 -268.329 -110.151 -17.0959 -24.1945 3.97278 PRESSAVG: 1537600 15.5436 -39.7486 5.76443 -39.7486 -80.1191 34.2427 5.7644 34.2428 9.73792 GPRESSAVG: 1537600 15.5087 -39.8549 5.52202 -38.0364 -79.3719 35.6428 6.2525 35.493 8.94873 TIMING: 1537600 CPU: 4894.12, 0.00319803/step Wall: 4894.12, 0.00319803/step, 3.0758 hours remaining, 238.792969 MB of memory in use. ENERGY: 1537600 3928.7253 20467.0938 14534.0622 236.3484 -202943.3331 2352.1141 0.0000 0.0000 51854.8915 -109570.0978 298.0108 -161424.9893 -109210.7284 299.0300 -107.6908 -77.4583 761654.1993 -18.2792 -18.3048 PRESSURE: 1537800 48.8689 128.124 161.579 128.123 -158.087 107.651 161.578 107.651 164.614 GPRESSURE: 1537800 84.0485 -27.4649 160.281 42.8557 -72.1172 33.3948 116.797 107.468 140.38 PRESSAVG: 1537800 62.107 -10.7475 11.3036 -10.7474 -42.9638 0.927415 11.3036 0.92741 3.06417 GPRESSAVG: 1537800 62.3503 -11.2445 11.4777 -11.6258 -43.6235 0.939528 10.9969 1.00502 3.13893 TIMING: 1537800 CPU: 4894.76, 0.00317789/step Wall: 4894.76, 0.00317789/step, 3.05625 hours remaining, 238.792969 MB of memory in use. ENERGY: 1537800 4010.2044 20638.9969 14454.1453 246.3349 -203562.4211 2784.5439 0.0000 0.0000 51865.2136 -109562.9821 298.0701 -161428.1958 -109209.4184 298.3379 18.4655 50.7703 761319.2460 7.4025 7.2886 PRESSURE: 1538000 -194.799 70.7443 28.0902 70.7441 16.233 111.64 28.0905 111.64 281.886 GPRESSURE: 1538000 -184.911 29.3143 5.47525 144.145 88.8759 83.5937 -36.7523 41.5544 281.435 PRESSAVG: 1538000 47.0863 20.9596 -5.602 20.9596 -72.5386 52.039 -5.602 52.039 1.01221 GPRESSAVG: 1538000 46.8598 19.1043 -6.47609 21.5617 -71.3568 51.168 -6.35606 50.3217 0.413804 TIMING: 1538000 CPU: 4895.39, 0.00317772/step Wall: 4895.39, 0.00317772/step, 3.0559 hours remaining, 238.792969 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: 1538000 4019.5577 20509.8461 14394.6908 239.3672 -203115.4107 2476.1830 0.0000 0.0000 52149.4493 -109326.3166 299.7036 -161475.7660 -108960.4219 298.6945 34.4397 61.8000 762153.4451 -8.1467 -8.0277 PRESSURE: 1538200 239.094 235.71 35.7455 235.711 -79.0997 61.8289 35.7459 61.8291 385.511 GPRESSURE: 1538200 316.472 200.807 110.245 143.459 -29.7744 129.099 45.1576 123.869 328.725 PRESSAVG: 1538200 -8.86556 13.8036 -24.7313 13.8035 13.972 -8.78543 -24.7313 -8.78544 3.71859 GPRESSAVG: 1538200 -7.72839 14.5307 -24.3414 13.2706 12.8009 -8.95605 -22.2367 -8.63406 3.74056 TIMING: 1538200 CPU: 4896.03, 0.00318973/step Wall: 4896.03, 0.00318973/step, 3.06728 hours remaining, 238.792969 MB of memory in use. ENERGY: 1538200 3893.0326 20505.8719 14505.1026 241.8983 -203207.5364 2557.0998 0.0000 0.0000 52104.9883 -109399.5429 299.4481 -161504.5312 -109037.0677 299.3002 181.8350 205.1410 760233.7839 2.9417 2.9377 PRESSURE: 1538400 136.084 105.149 47.3852 105.15 394.33 79.596 47.3859 79.5965 -56.0546 GPRESSURE: 1538400 189.858 76.4744 83.7386 141.395 375.543 76.662 36.0048 75.9261 -13.1844 PRESSAVG: 1538400 -12.9308 -34.9992 -18.3028 -34.9992 17.2964 -3.5304 -18.3029 -3.53034 32.3826 GPRESSAVG: 1538400 -13.2347 -33.7252 -17.1755 -34.3822 17.1063 -2.48474 -18.2708 -2.5977 32.9446 TIMING: 1538400 CPU: 4896.67, 0.00318162/step Wall: 4896.67, 0.00318162/step, 3.0593 hours remaining, 238.792969 MB of memory in use. ENERGY: 1538400 4018.0820 20512.8171 14519.1833 231.6548 -203091.8411 2481.1343 0.0000 0.0000 52279.2315 -109049.7381 300.4495 -161328.9696 -108685.7351 300.5925 158.1197 184.0721 760819.3481 12.2494 12.2721 PRESSURE: 1538600 103.626 139.054 96.1758 139.055 -60.0139 -388.091 96.176 -388.09 369.972 GPRESSURE: 1538600 79.8994 3.59677 49.3828 112.628 -20.6461 -374.021 130.754 -371.023 436.966 PRESSAVG: 1538600 32.3355 13.0054 -20.3444 13.0054 -52.6818 -48.8833 -20.3445 -48.8833 -15.5501 GPRESSAVG: 1538600 31.2713 11.8941 -20.2237 11.8363 -52.4808 -48.8545 -19.7992 -48.9541 -15.0327 TIMING: 1538600 CPU: 4897.31, 0.00320696/step Wall: 4897.31, 0.00320696/step, 3.08349 hours remaining, 238.792969 MB of memory in use. ENERGY: 1538600 3941.9839 20474.7674 14503.6577 250.2933 -203047.2112 2501.1294 0.0000 0.0000 52351.1684 -109024.2112 300.8629 -161375.3796 -108646.9112 300.4161 137.8613 165.4065 762790.7648 -11.9655 -12.0807 PRESSURE: 1538800 90.0564 -64.1999 79.8296 -64.1999 -111.96 128.181 79.8301 128.181 511.221 GPRESSURE: 1538800 59.5776 -154.051 22.7289 -41.6624 -37.3982 246.325 91.9129 156.507 546.233 PRESSAVG: 1538800 40.4645 17.6624 44.3141 17.6625 -29.476 42.6182 44.3142 42.6182 3.13358 GPRESSAVG: 1538800 41.0415 17.0473 43.908 17.5755 -30.3587 41.6769 43.0919 42.9151 2.92994 TIMING: 1538800 CPU: 4897.95, 0.00319264/step Wall: 4897.95, 0.00319264/step, 3.06954 hours remaining, 238.792969 MB of memory in use. ENERGY: 1538800 4010.8641 20538.2850 14452.7174 254.5105 -203019.9431 2427.1543 0.0000 0.0000 52097.2778 -109239.1340 299.4038 -161336.4117 -108871.1973 300.3370 163.1057 189.4708 762182.6464 4.7073 4.5376 PRESSURE: 1539000 14.4835 -235.457 11.2727 -235.457 -93.2565 -23.7022 11.2729 -23.7018 -565.54 GPRESSURE: 1539000 18.107 -99.813 -31.0747 -265.102 12.4947 18.4805 -29.6926 -143.356 -574.33 PRESSAVG: 1539000 -3.34063 33.3236 61.0685 33.3236 -25.1524 -20.7641 61.0685 -20.7641 9.13663 GPRESSAVG: 1539000 -5.04003 35.9847 61.4034 33.6908 -21.9763 -19.3241 62.0517 -21.6 8.21734 TIMING: 1539000 CPU: 4898.59, 0.00319868/step Wall: 4898.59, 0.00319868/step, 3.07517 hours remaining, 238.792969 MB of memory in use. ENERGY: 1539000 3997.7282 20606.6344 14514.0279 267.5428 -203153.5213 2565.7246 0.0000 0.0000 51888.5261 -109313.3373 298.2041 -161201.8634 -108959.6285 299.6052 -214.7709 -181.2429 762958.9501 -6.4521 -6.2663 PRESSURE: 1539200 1.4188 60.9605 5.95741 60.9606 467.209 98.614 5.95728 98.6141 379.658 GPRESSURE: 1539200 29.4992 16.2354 76.8639 -143.412 509.247 156.775 57.7542 8.04468 397.237 PRESSAVG: 1539200 -17.5766 -26.222 14.0503 -26.222 4.66091 6.08488 14.0502 6.08487 7.53687 GPRESSAVG: 1539200 -16.9878 -29.0863 13.5082 -24.7443 3.39153 4.59087 14.9473 5.55297 8.65721 TIMING: 1539200 CPU: 4899.22, 0.00318271/step Wall: 4899.22, 0.00318271/step, 3.05965 hours remaining, 238.792969 MB of memory in use. ENERGY: 1539200 3990.0030 20439.6450 14462.5539 229.6315 -203554.9823 2740.6965 0.0000 0.0000 52096.5206 -109595.9317 299.3994 -161692.4523 -109238.4775 299.2934 282.7620 311.9944 760004.5815 -1.7929 -1.6464 PRESSURE: 1539400 231.139 111.997 63.6272 111.997 56.934 160.318 63.6273 160.32 25.6323 GPRESSURE: 1539400 229.449 20.0223 24.8836 53.6022 128.814 95.6263 150.839 91.8492 49.058 PRESSAVG: 1539400 53.391 -13.2538 -13.7452 -13.2537 14.1636 71.1073 -13.7452 71.1073 12.0288 GPRESSAVG: 1539400 53.619 -10.8129 -15.3081 -15.0795 13.1815 70.9701 -13.6452 72.894 12.775 TIMING: 1539400 CPU: 4899.86, 0.00320177/step Wall: 4899.86, 0.00320177/step, 3.07779 hours remaining, 238.792969 MB of memory in use. ENERGY: 1539400 4001.7358 20362.0347 14453.7181 238.3039 -203250.7303 2499.7786 0.0000 0.0000 51860.8919 -109834.2672 298.0453 -161695.1591 -109467.6735 298.7147 104.5683 135.7737 761833.6414 26.5278 26.5251 PRESSURE: 1539600 -1.2326 87.273 147.963 87.2735 129.19 129.923 147.964 129.923 228.656 GPRESSURE: 1539600 27.2104 44.7218 34.7229 24.8059 126.2 208.125 160.133 -11.9243 273.593 PRESSAVG: 1539600 12.8437 13.9075 -66.9633 13.9075 -2.58113 65.0489 -66.9633 65.049 -3.03012 GPRESSAVG: 1539600 12.2059 11.8781 -64.6466 14.4773 -2.02658 66.4798 -67.9219 62.6874 -3.48466 TIMING: 1539600 CPU: 4900.5, 0.00319358/step Wall: 4900.5, 0.00319358/step, 3.06974 hours remaining, 238.792969 MB of memory in use. ENERGY: 1539600 3942.7064 20442.5895 14467.3373 249.3525 -203510.1411 2559.6597 0.0000 0.0000 52020.2136 -109828.2822 298.9609 -161848.4958 -109466.6388 298.4198 118.8714 142.3344 760151.8084 2.4108 2.2316 PRESSURE: 1539800 194.049 -177.566 -148.063 -177.567 -94.7004 74.4123 -148.063 74.4123 -77.2506 GPRESSURE: 1539800 134.683 -36.2611 -63.0029 -219.145 36.968 91.3286 -61.9226 233.878 -56.105 PRESSAVG: 1539800 15.3896 -17.3883 -54.1647 -17.3883 3.54205 21.1774 -54.1647 21.1774 14.1497 GPRESSAVG: 1539800 14.21 -16.6341 -54.1879 -16.8286 4.84263 19.5305 -54.4453 23.1529 13.7318 TIMING: 1539800 CPU: 4901.14, 0.00318872/step Wall: 4901.14, 0.00318872/step, 3.06489 hours remaining, 238.792969 MB of memory in use. ENERGY: 1539800 3890.1871 20437.1158 14407.2627 242.1769 -203881.6227 2760.1379 0.0000 0.0000 52244.7167 -109900.0258 300.2511 -162144.7424 -109540.8813 298.4184 7.3660 38.5154 759813.1635 11.0271 10.9281 PRESSURE: 1540000 -45.6708 -4.72549 -5.87583 -4.72619 82.0703 118.496 -5.87616 118.496 -218.871 GPRESSURE: 1540000 -66.2237 -93.7382 -20.5508 -33.1004 133.723 7.19448 -96.8109 73.4942 -142.244 PRESSAVG: 1540000 -5.04139 -40.791 -45.9379 -40.791 -13.3736 48.8769 -45.9379 48.8769 13.8696 GPRESSAVG: 1540000 -3.74059 -40.7801 -46.9769 -40.6589 -14.6277 47.9306 -46.6826 47.4792 14.0607 TIMING: 1540000 CPU: 4901.77, 0.00316772/step Wall: 4901.77, 0.00316772/step, 3.04453 hours remaining, 238.792969 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: 1540000 4003.5141 20436.6969 14438.8887 267.4017 -203201.0472 2499.2159 0.0000 0.0000 51821.4585 -109733.8716 297.8186 -161555.3301 -109373.1758 298.7938 -60.8238 -24.9148 761419.1342 -1.5151 -1.4359 PRESSURE: 1540200 -220.04 -99.7656 -166.688 -99.7658 42.366 -31.4461 -166.689 -31.4462 33.2034 GPRESSURE: 1540200 -196.085 -88.2976 -125.045 -59.4524 76.5354 -27.7497 -132.025 73.6813 50.8274 PRESSAVG: 1540200 -6.38548 -48.5095 -7.57449 -48.5095 11.9901 10.7421 -7.57458 10.7421 5.02441 GPRESSAVG: 1540200 -5.7144 -49.8857 -7.15902 -50.0427 11.0911 12.0421 -7.17494 12.175 5.14898 TIMING: 1540200 CPU: 4902.41, 0.00319338/step Wall: 4902.41, 0.00319338/step, 3.06902 hours remaining, 238.792969 MB of memory in use. ENERGY: 1540200 3978.3757 20297.5758 14586.5865 261.4214 -203548.8725 2743.1961 0.0000 0.0000 51940.7121 -109741.0049 298.5040 -161681.7170 -109374.0469 298.3943 -48.1568 -22.9074 760024.2742 3.5430 3.5086 LDB: ============= START OF LOAD BALANCING ============== 4914.87 LDB: ============== END OF LOAD BALANCING =============== 4914.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4914.87 LDB: ============= START OF LOAD BALANCING ============== 4915.19 LDB: Largest compute 7059 load 0.039146 is 20.1% of average load 0.195010 LDB: Average compute 0.004419 is 2.3% of average load 0.195010 LDB: TIME 4915.19 LOAD: AVG 0.19501 MAX 0.215825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.051 MB LDB: TIME 4915.19 LOAD: AVG 0.19501 MAX 0.215825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.055 MB LDB: TIME 4915.19 LOAD: AVG 0.19501 MAX 0.215825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.055 MB LDB: ============== END OF LOAD BALANCING =============== 4915.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4915.2 PRESSURE: 1540400 56.5559 206.323 -20.1608 206.323 -182.221 112.758 -20.1597 112.758 300.202 GPRESSURE: 1540400 57.8715 139.921 -44.2504 130.571 -88.6391 67.6346 -42.2388 184.821 291.569 PRESSAVG: 1540400 14.6965 -50.799 -28.4482 -50.7991 -29.4189 -30.959 -28.4482 -30.9589 10.2662 GPRESSAVG: 1540400 13.8396 -50.3728 -28.9838 -48.8694 -28.259 -31.6702 -26.447 -31.1859 10.2324 TIMING: 1540400 CPU: 4903.06, 0.00326134/step Wall: 4903.06, 0.00326133/step, 3.13414 hours remaining, 237.441406 MB of memory in use. ENERGY: 1540400 3993.3112 20430.6189 14512.4885 233.2266 -203369.4413 2758.7237 0.0000 0.0000 51942.7793 -109498.2931 298.5159 -161441.0724 -109135.7870 298.3818 58.1791 86.9338 763034.3995 -1.4854 -1.3956 PRESSURE: 1540600 3.89251 -228.332 -21.0071 -228.332 -167.806 204.088 -21.0067 204.088 -193.673 GPRESSURE: 1540600 57.459 -195.974 -100.44 -170.695 -84.2356 209.643 40.7263 -4.65839 -252.794 PRESSAVG: 1540600 -31.803 -38.5547 61.9884 -38.5547 33.7532 -19.1286 61.9884 -19.1285 -6.03935 GPRESSAVG: 1540600 -31.4505 -37.3252 62.59 -39.2599 33.5714 -17.7578 58.7263 -19.2047 -6.86041 TIMING: 1540600 CPU: 4903.7, 0.00320408/step Wall: 4903.7, 0.00320408/step, 3.07895 hours remaining, 237.441406 MB of memory in use. ENERGY: 1540600 3919.3452 20407.0624 14471.1021 266.0197 -202917.0415 2319.7668 0.0000 0.0000 52096.0331 -109437.7123 299.3966 -161533.7453 -109066.3367 299.1338 -119.1953 -93.1901 762504.4601 -1.3630 -1.5798 PRESSURE: 1540800 -536.377 75.5631 -38.6815 75.5627 205.361 -68.4126 -38.6815 -68.4129 80.8694 GPRESSURE: 1540800 -489.521 -37.4326 -79.8098 114.855 172.18 37.1126 -97.9185 -99.2695 141.342 PRESSAVG: 1540800 -29.0847 -76.5851 27.303 -76.5851 13.5904 -33.7814 27.303 -33.7813 -13.8078 GPRESSAVG: 1540800 -29.037 -79.0262 26.5416 -75.8484 13.4348 -33.6722 28.4231 -36.1942 -13.5481 TIMING: 1540800 CPU: 4904.34, 0.00317883/step Wall: 4904.34, 0.00317883/step, 3.05451 hours remaining, 237.441406 MB of memory in use. ENERGY: 1540800 4005.5135 20538.0583 14424.6590 258.7715 -202900.7114 2298.8080 0.0000 0.0000 51898.2376 -109476.6635 298.2599 -161374.9011 -109116.6903 299.1695 -83.3822 -58.6661 762307.7630 -9.7674 -9.7168 PRESSURE: 1541000 288.147 -160.999 134.418 -161 -216.122 -100.293 134.419 -100.293 -158.419 GPRESSURE: 1541000 219.819 -265.573 157.096 -199.174 -80.11 -51.2439 -18.2151 -168.859 -145.819 PRESSAVG: 1541000 -40.7287 -24.0475 -4.63653 -24.0475 33.3597 -26.1724 -4.63659 -26.1725 8.51613 GPRESSAVG: 1541000 -40.4307 -24.1813 -4.25455 -23.9183 33.0433 -26.5699 -4.33144 -24.272 8.85479 TIMING: 1541000 CPU: 4904.98, 0.00319566/step Wall: 4904.98, 0.00319566/step, 3.07049 hours remaining, 237.441406 MB of memory in use. ENERGY: 1541000 4035.1769 20531.6188 14464.1280 229.6332 -202994.9208 2282.3620 0.0000 0.0000 51941.9338 -109510.0681 298.5110 -161452.0019 -109150.2103 298.6375 -28.7978 -2.0368 761456.5267 0.3824 0.4891 PRESSURE: 1541200 -235.991 -94.9581 114.693 -94.9573 91.787 32.4944 114.694 32.4944 -131.239 GPRESSURE: 1541200 -155.833 -64.0746 24.699 -99.268 87.856 -36.7717 36.4988 -102.366 -105.127 PRESSAVG: 1541200 -45.061 -61.091 -6.38569 -61.091 48.1916 -7.15024 -6.38562 -7.15024 -12.0958 GPRESSAVG: 1541200 -46.3002 -58.9669 -7.6153 -61.71 49.8281 -8.62876 -6.22297 -7.25638 -12.2181 TIMING: 1541200 CPU: 4905.62, 0.00318278/step Wall: 4905.62, 0.00318278/step, 3.05794 hours remaining, 237.441406 MB of memory in use. ENERGY: 1541200 3989.9573 20390.4666 14448.1344 246.5936 -203507.1450 2590.0998 0.0000 0.0000 52090.3001 -109751.5933 299.3637 -161841.8934 -109396.4033 299.1736 -91.8143 -57.7013 761299.3445 -2.9884 -2.8967 PRESSURE: 1541400 286.386 -181.083 96.6428 -181.084 113.18 117.771 96.6426 117.772 311.157 GPRESSURE: 1541400 308.258 -146.204 118.725 -114.015 75.9156 103.825 95.353 180.254 414.647 PRESSAVG: 1541400 -60.9423 -20.3783 56.7894 -20.3783 22.6527 -12.7915 56.7895 -12.7914 -8.07587 GPRESSAVG: 1541400 -60.3394 -21.3275 57.887 -19.7676 20.8286 -10.2246 56.5452 -15.2029 -7.10767 TIMING: 1541400 CPU: 4906.25, 0.00318543/step Wall: 4906.25, 0.00318543/step, 3.06031 hours remaining, 237.441406 MB of memory in use. ENERGY: 1541400 3948.4811 20437.2500 14461.0792 229.3521 -203417.5415 2706.3379 0.0000 0.0000 51971.1184 -109663.9228 298.6787 -161635.0413 -109309.1194 298.9217 236.9075 266.2737 762114.1362 -15.4552 -15.5395 PRESSURE: 1541600 -84.8793 -146.468 34.432 -146.468 -83.1375 -78.449 34.4324 -78.4491 29.6282 GPRESSURE: 1541600 -26.9284 -57.8776 26.1645 37.1999 14.2448 -93.1348 15.5794 -102.341 -37.6792 PRESSAVG: 1541600 -45.8958 -103.987 10.057 -103.987 62.3471 0.00453101 10.057 0.00454984 19.9438 GPRESSAVG: 1541600 -45.6787 -102.657 9.43398 -104.252 62.4328 -1.23811 9.10289 1.4574 19.3359 TIMING: 1541600 CPU: 4906.89, 0.00319258/step Wall: 4906.89, 0.00319258/step, 3.06701 hours remaining, 237.441406 MB of memory in use. ENERGY: 1541600 3980.4365 20453.5917 14457.9809 250.3759 -203714.9338 3063.5639 0.0000 0.0000 51720.0737 -109788.9113 297.2360 -161508.9850 -109439.7946 298.3004 -46.1295 -16.7876 760624.4577 12.1317 12.0300 PRESSURE: 1541800 -7.50562 -234.029 -41.8996 -234.028 -112.886 -11.9153 -41.8994 -11.9149 -105.06 GPRESSURE: 1541800 -16.7781 -179.996 34.2467 -272.833 -18.6173 16.2131 2.29389 70.0079 -108.28 PRESSAVG: 1541800 -22.8193 -57.3856 8.40082 -57.3856 22.8799 -40.6011 8.40094 -40.6011 -6.90825 GPRESSAVG: 1541800 -23.3298 -58.1948 9.44801 -58.2924 24.5324 -39.9035 8.43915 -41.5391 -8.0626 TIMING: 1541800 CPU: 4907.52, 0.00316225/step Wall: 4907.52, 0.00316225/step, 3.03769 hours remaining, 237.441406 MB of memory in use. ENERGY: 1541800 3993.4121 20588.0669 14443.0310 232.4346 -203664.8407 2696.6202 0.0000 0.0000 51832.8565 -109878.4193 297.8841 -161711.2759 -109517.3751 298.5999 -75.1503 -47.8917 762147.9316 -2.2825 -2.2867 PRESSURE: 1542000 -170.815 15.186 -37.8189 15.1856 31.8871 -79.199 -37.8196 -79.1997 -12.1751 GPRESSURE: 1542000 -101.313 -28.333 25.6147 25.3876 74.1078 -101.257 13.4334 6.5637 -28.8266 PRESSAVG: 1542000 -31.6449 -67.2285 -0.649682 -67.2286 5.93776 -3.05211 -0.649666 -3.05208 -25.5245 GPRESSAVG: 1542000 -30.5701 -66.9832 -0.63546 -65.8563 4.16481 -5.22332 -0.850495 0.433247 -24.8707 TIMING: 1542000 CPU: 4908.16, 0.00317281/step Wall: 4908.16, 0.00317281/step, 3.04766 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1542000 3960.8469 20427.0256 14477.3544 242.2620 -203275.1200 2400.0962 0.0000 0.0000 52158.4845 -109609.0503 299.7555 -161767.5348 -109246.8996 298.3187 -50.3676 -18.6772 761841.1833 -17.0772 -17.0920 PRESSURE: 1542200 -147.214 -343.291 -24.3922 -343.292 75.6373 240.535 -24.3914 240.535 -157.925 GPRESSURE: 1542200 -128.287 -274.981 -6.19143 -290.275 55.9511 282.033 59.3952 189.827 -92.3932 PRESSAVG: 1542200 -5.00271 -20.2121 32.871 -20.2122 -26.9388 27.0065 32.871 27.0065 -13.6893 GPRESSAVG: 1542200 -6.80165 -21.1178 32.4778 -19.5835 -26.3102 27.8528 32.9642 24.1261 -12.7948 TIMING: 1542200 CPU: 4908.8, 0.00319595/step Wall: 4908.8, 0.00319595/step, 3.06971 hours remaining, 237.441406 MB of memory in use. ENERGY: 1542200 4002.7950 20384.8065 14532.0413 243.7212 -203639.4339 2621.1603 0.0000 0.0000 52294.3668 -109560.5429 300.5364 -161854.9096 -109182.8320 299.1120 -76.5006 -54.9097 762539.9862 -15.2103 -15.3022 PRESSURE: 1542400 253.093 -139.126 23.1724 -139.125 304 184.505 23.1724 184.504 423.152 GPRESSURE: 1542400 272.69 -103.728 -46.758 -182.979 351.117 240.03 5.19322 174.415 424.127 PRESSAVG: 1542400 -3.2933 -13.3054 35.8103 -13.3054 61.8196 37.5646 35.8103 37.5646 17.4676 GPRESSAVG: 1542400 -2.74078 -13.578 35.9543 -14.0991 62.0924 38.5343 36.4458 37.3234 16.4048 TIMING: 1542400 CPU: 4909.44, 0.00320262/step Wall: 4909.44, 0.00320262/step, 3.07594 hours remaining, 237.441406 MB of memory in use. ENERGY: 1542400 4033.4654 20579.2202 14482.4572 245.0593 -203729.6898 2725.8554 0.0000 0.0000 51912.2164 -109751.4159 298.3402 -161663.6323 -109397.2547 299.2640 326.7483 349.3114 761603.7741 25.3313 25.2521 PRESSURE: 1542600 170.654 -3.45997 226.878 -3.46021 -156.842 -10.3529 226.877 -10.3537 -79.3747 GPRESSURE: 1542600 237.449 34.1245 223.605 -104.379 -111.119 76.8948 244.715 24.2757 -132.282 PRESSAVG: 1542600 -1.28305 -57.003 -2.62083 -57.003 -16.6887 6.90163 -2.62085 6.90153 14.9133 GPRESSAVG: 1542600 -0.669692 -55.6847 -4.93728 -58.5182 -17.3293 6.23237 -1.44654 8.38143 15.0746 TIMING: 1542600 CPU: 4910.08, 0.00319259/step Wall: 4910.08, 0.00319259/step, 3.06613 hours remaining, 237.441406 MB of memory in use. ENERGY: 1542600 3935.8433 20444.2430 14499.6794 243.8429 -203319.2666 2346.1550 0.0000 0.0000 52104.4658 -109745.0374 299.4451 -161849.5031 -109389.9022 298.7381 -21.8544 -1.9843 762020.3521 -1.0195 -0.9748 PRESSURE: 1542800 345.194 -110.614 -86.9119 -110.614 125.208 -26.2134 -86.9107 -26.2132 264.65 GPRESSURE: 1542800 260.299 -91.3463 -69.2353 -56.5086 206.027 -73.8483 -107.246 -16.9711 345.142 PRESSAVG: 1542800 23.4622 -68.1374 -38.2776 -68.1375 3.29776 6.0384 -38.2777 6.03836 40.684 GPRESSAVG: 1542800 24.2119 -68.325 -35.9467 -66.8317 2.82588 4.99818 -39.0731 6.02292 40.4494 TIMING: 1542800 CPU: 4910.71, 0.00318002/step Wall: 4910.71, 0.00318002/step, 3.05388 hours remaining, 237.441406 MB of memory in use. ENERGY: 1542800 4006.9983 20353.4763 14454.0581 249.9895 -203419.1766 2517.0854 0.0000 0.0000 52158.4663 -109679.1027 299.7554 -161837.5690 -109316.1918 298.9490 245.0176 270.4894 759508.2211 22.4813 22.4957 PRESSURE: 1543000 -260.836 -71.6161 -229.289 -71.6163 -208.623 -56.3634 -229.288 -56.3629 494.318 GPRESSURE: 1543000 -273.606 -92.3659 -143.304 -187.155 -150.923 -81.8384 -226.14 -27.8657 556.217 PRESSAVG: 1543000 -30.3235 3.93685 1.28487 3.93683 17.1355 35.2437 1.28493 35.2436 8.556 GPRESSAVG: 1543000 -30.807 1.55015 1.41954 4.61583 17.8962 36.6213 0.664721 36.3744 8.11072 TIMING: 1543000 CPU: 4911.35, 0.00318799/step Wall: 4911.35, 0.00318799/step, 3.06135 hours remaining, 237.441406 MB of memory in use. ENERGY: 1543000 3989.8205 20335.7251 14425.0307 224.4431 -203684.7867 2924.1425 0.0000 0.0000 52053.8578 -109731.7670 299.1542 -161785.6248 -109357.5679 298.5542 8.2866 43.8956 760255.8533 -1.5440 -1.6000 PRESSURE: 1543200 -193.73 16.0166 -76.9609 16.0169 -301.989 163.7 -76.9611 163.7 -188.657 GPRESSURE: 1543200 -196.607 -33.0165 -113.852 3.50628 -266.948 108.309 140.097 263.854 -148.278 PRESSAVG: 1543200 -14.3528 -14.4511 24.7636 -14.4512 20.8225 16.4633 24.7636 16.4634 -6.72522 GPRESSAVG: 1543200 -14.9847 -11.5995 23.776 -17.1069 20.4413 15.92 26.2787 15.696 -5.31448 TIMING: 1543200 CPU: 4911.99, 0.00318333/step Wall: 4911.99, 0.00318333/step, 3.0567 hours remaining, 237.441406 MB of memory in use. ENERGY: 1543200 4036.6436 20389.5164 14502.6797 235.8576 -202976.4013 2204.7540 0.0000 0.0000 51929.5701 -109677.3800 298.4400 -161606.9500 -109316.4368 298.4670 -228.1255 -203.9444 762235.4721 -0.0852 0.0474 PRESSURE: 1543400 -84.7251 50.9219 204.521 50.9215 -273.871 64.2858 204.522 64.2858 168.078 GPRESSURE: 1543400 -37.9805 23.5834 143.678 1.85464 -216.845 72.2606 124.086 9.69386 150.508 PRESSAVG: 1543400 -20.8819 50.6872 19.5335 50.6872 39.5985 -8.48336 19.5336 -8.48335 -8.77857 GPRESSAVG: 1543400 -20.9692 49.8744 19.8941 53.8975 39.3182 -7.94918 18.6259 -11.625 -9.06041 TIMING: 1543400 CPU: 4912.62, 0.00319098/step Wall: 4912.62, 0.00319098/step, 3.06388 hours remaining, 237.441406 MB of memory in use. ENERGY: 1543400 4020.1685 20523.4701 14440.4353 250.8265 -203405.4037 2420.0765 0.0000 0.0000 52146.6900 -109603.7368 299.6877 -161750.4268 -109254.6780 298.6880 -63.5059 -34.7724 761596.6333 3.3127 3.0962 PRESSURE: 1543600 38.8048 -72.6983 79.6794 -72.6987 78.9958 224.928 79.6791 224.928 58.2959 GPRESSURE: 1543600 147.573 -127.409 68.1396 -17.9652 39.5485 215.916 137.636 160.981 67.881 PRESSAVG: 1543600 -8.39193 8.44582 -24.4493 8.44586 -19.716 -42.2786 -24.4493 -42.2786 6.76797 GPRESSAVG: 1543600 -8.41888 8.81817 -25.1207 6.38698 -19.7479 -41.7412 -23.6126 -40.0106 6.22568 TIMING: 1543600 CPU: 4913.27, 0.00321782/step Wall: 4913.27, 0.00321782/step, 3.08946 hours remaining, 237.441406 MB of memory in use. ENERGY: 1543600 3955.9177 20457.8875 14457.2006 257.4600 -203774.8124 2705.3016 0.0000 0.0000 52073.9454 -109867.0995 299.2697 -161941.0449 -109507.8248 298.8772 58.6988 85.0009 760059.9200 -7.1133 -7.3137 PRESSURE: 1543800 363.409 -29.4166 -81.9712 -29.4167 288.539 129.374 -81.971 129.375 -82.5619 GPRESSURE: 1543800 332.37 18.8734 -98.2351 41.4201 292.773 117.877 -125.976 91.4946 16.3751 PRESSAVG: 1543800 -6.80452 -23.2119 -43.5423 -23.2119 31.1523 -17.1868 -43.5424 -17.1868 9.4138 GPRESSAVG: 1543800 -6.71362 -22.6312 -42.985 -22.1943 30.3975 -18.6868 -44.1259 -17.0766 9.44183 TIMING: 1543800 CPU: 4913.91, 0.00322484/step Wall: 4913.91, 0.00322484/step, 3.09603 hours remaining, 237.441406 MB of memory in use. ENERGY: 1543800 3982.8545 20541.4806 14530.0790 264.9400 -204210.2624 2978.7156 0.0000 0.0000 52057.8887 -109854.3039 299.1774 -161912.1927 -109497.8820 299.0352 189.7952 213.8394 758080.5122 11.2539 11.0419 PRESSURE: 1544000 222.692 -101.989 -34.3804 -101.989 -165.158 -113.65 -34.3799 -113.651 -10.3999 GPRESSURE: 1544000 254.682 -145.315 67.8476 -120.066 -193.398 -189.254 -37.6584 -32.3049 77.097 PRESSAVG: 1544000 -0.013927 -53.7791 18.446 -53.7791 -9.30798 1.90929 18.4461 1.90936 4.40941 GPRESSAVG: 1544000 -1.04909 -56.6852 16.4002 -51.4985 -8.60656 1.82126 17.8412 0.672764 5.4103 TIMING: 1544000 CPU: 4914.56, 0.00322963/step Wall: 4914.56, 0.00322963/step, 3.10044 hours remaining, 237.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1544000 4003.1780 20440.0184 14562.6898 256.5800 -203273.5421 2412.1260 0.0000 0.0000 51935.5639 -109663.3860 298.4744 -161598.9498 -109303.3985 299.0273 15.7113 46.1271 760588.0205 -1.6375 -1.4151 PRESSURE: 1544200 -5.3792 -103.929 48.2843 -103.929 -108.759 -124.793 48.2836 -124.794 -56.5666 GPRESSURE: 1544200 40.8874 -64.3438 -5.92874 -97.5945 -98.1398 -233.733 -163.272 -38.9381 -43.6612 PRESSAVG: 1544200 67.2007 0.886904 -34.0603 0.886989 -79.6507 -46.3285 -34.0603 -46.3285 -0.955715 GPRESSAVG: 1544200 67.8703 3.65922 -33.4444 -2.04628 -79.9794 -47.8495 -33.2014 -44.5308 -1.3928 TIMING: 1544200 CPU: 4915.2, 0.00319182/step Wall: 4915.2, 0.00319182/step, 3.06397 hours remaining, 237.441406 MB of memory in use. ENERGY: 1544200 4034.5324 20438.6521 14551.5185 262.3592 -203590.1721 2317.1278 0.0000 0.0000 52142.8472 -109843.1349 299.6657 -161985.9821 -109483.9083 299.0322 -56.9017 -33.6379 760920.2054 -4.4686 -4.5006 LDB: ============= START OF LOAD BALANCING ============== 4927.65 LDB: ============== END OF LOAD BALANCING =============== 4927.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4927.66 LDB: ============= START OF LOAD BALANCING ============== 4927.98 LDB: Largest compute 7059 load 0.037362 is 19.1% of average load 0.195116 LDB: Average compute 0.004424 is 2.3% of average load 0.195116 LDB: TIME 4927.98 LOAD: AVG 0.195116 MAX 0.214756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.211 MB LDB: TIME 4927.98 LOAD: AVG 0.195116 MAX 0.214756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: TIME 4927.98 LOAD: AVG 0.195116 MAX 0.214756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.277 MB LDB: ============== END OF LOAD BALANCING =============== 4927.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4927.99 PRESSURE: 1544400 -229.488 -187.493 13.6059 -187.493 -324.671 181.686 13.6059 181.687 124.739 GPRESSURE: 1544400 -203.894 -215.338 -73.1114 -204.305 -184.045 206.599 -31.4795 96.43 64.5069 PRESSAVG: 1544400 30.5577 -2.12333 -1.13263 -2.12334 -20.1648 -25.9298 -1.13262 -25.9298 13.5782 GPRESSAVG: 1544400 30.9641 -2.66452 -0.842072 -2.75114 -20.2321 -23.9804 -2.01343 -26.2224 14.0448 TIMING: 1544400 CPU: 4915.85, 0.00327605/step Wall: 4915.85, 0.00327605/step, 3.14465 hours remaining, 237.238281 MB of memory in use. ENERGY: 1544400 4054.0204 20579.3117 14585.1392 271.1970 -203608.3033 2664.2176 0.0000 0.0000 51751.0908 -109703.3266 297.4142 -161454.4173 -109351.1212 299.0218 -143.1401 -107.8105 760694.3824 7.9904 8.2589 PRESSURE: 1544600 -121.112 66.842 37.0724 66.8412 148.356 -132.418 37.0718 -132.419 -295.997 GPRESSURE: 1544600 -35.7133 95.2253 72.6766 -31.0909 113.388 -156.667 -79.3381 -178.384 -276.841 PRESSAVG: 1544600 60.9446 -36.6153 26.9992 -36.6154 -44.2323 -14.7315 26.9992 -14.7316 -26.6649 GPRESSAVG: 1544600 61.1445 -36.9496 27.5731 -34.7978 -44.6296 -15.6194 26.5485 -16.2944 -26.6522 TIMING: 1544600 CPU: 4916.49, 0.00318358/step Wall: 4916.49, 0.00318358/step, 3.0557 hours remaining, 237.441406 MB of memory in use. ENERGY: 1544600 4034.0371 20597.8772 14452.7793 253.6707 -203315.9607 2278.8457 0.0000 0.0000 51963.1643 -109735.5864 298.6330 -161698.7507 -109377.2520 298.8206 -89.5842 -66.3889 761392.8454 -3.3176 -3.3791 PRESSURE: 1544800 -100.888 0.83403 62.2393 0.8341 -388.965 9.54913 62.2394 9.55002 -524.317 GPRESSURE: 1544800 -36.9145 -50.3124 -57.2861 7.94828 -399.376 -0.916629 72.3557 14.5128 -461.721 PRESSAVG: 1544800 44.4883 -5.57149 -24.3449 -5.57151 -42.8965 26.2225 -24.3449 26.2225 11.9593 GPRESSAVG: 1544800 43.3516 -6.38148 -25.1515 -6.68178 -40.7059 25.261 -22.3399 29.4946 10.7497 TIMING: 1544800 CPU: 4917.13, 0.00320184/step Wall: 4917.13, 0.00320184/step, 3.07305 hours remaining, 237.441406 MB of memory in use. ENERGY: 1544800 4040.7716 20359.4639 14413.2738 254.0357 -203145.4472 2467.5160 0.0000 0.0000 51780.5867 -109829.7995 297.5837 -161610.3861 -109461.9275 298.8776 -338.0567 -299.3372 763106.6548 4.5170 4.4652 PRESSURE: 1545000 206.735 -140.759 -63.865 -140.758 -71.6389 -204.776 -63.8653 -204.776 224.063 GPRESSURE: 1545000 239.422 -95.4816 -64.5845 -169.907 -8.01432 -141.12 -116.247 -237.594 217.433 PRESSAVG: 1545000 60.5435 2.04548 -41.7032 2.0455 -39.0247 -36.703 -41.7032 -36.7029 -6.48054 GPRESSAVG: 1545000 59.8729 1.49074 -40.6984 4.27045 -40.1892 -35.4343 -42.0826 -37.3743 -4.65754 TIMING: 1545000 CPU: 4917.77, 0.00320903/step Wall: 4917.77, 0.00320903/step, 3.07978 hours remaining, 237.441406 MB of memory in use. ENERGY: 1545000 3932.9489 20544.5016 14454.0336 247.7427 -204070.4715 2872.0777 0.0000 0.0000 52193.1699 -109825.9971 299.9549 -162019.1670 -109465.0626 298.9849 119.7195 149.6138 760327.5430 5.0128 5.0087 PRESSURE: 1545200 -276.976 -104.386 69.1049 -104.386 71.7587 206.201 69.1053 206.202 290.124 GPRESSURE: 1545200 -243.673 -78.9059 111.999 -9.08055 96.9053 217.527 -22.4317 166.388 308.441 PRESSAVG: 1545200 -20.4048 -27.061 -46.2071 -27.061 34.4276 -0.131139 -46.2071 -0.131182 3.71852 GPRESSAVG: 1545200 -19.4692 -27.3446 -46.766 -27.7325 33.5623 -0.121842 -46.3029 -0.425013 3.16348 TIMING: 1545200 CPU: 4918.41, 0.00319936/step Wall: 4918.41, 0.00319936/step, 3.07032 hours remaining, 237.441406 MB of memory in use. ENERGY: 1545200 3981.4293 20533.8392 14528.7710 251.8540 -203514.6765 2507.8823 0.0000 0.0000 51974.3823 -109736.5184 298.6975 -161710.9006 -109371.0274 298.9221 28.3021 53.8909 760737.8059 5.9138 5.7522 PRESSURE: 1545400 -112.326 24.066 -58.8139 24.0664 41.4118 155.672 -58.8147 155.673 -138.725 GPRESSURE: 1545400 -19.2702 91.8919 -127.934 13.1971 1.88785 85.7632 -139.295 24.3322 -121.598 PRESSAVG: 1545400 23.9946 -14.8067 15.6803 -14.8067 -84.0171 -1.27509 15.6804 -1.2752 -11.7778 GPRESSAVG: 1545400 24.892 -13.5949 15.9435 -15.3262 -84.0421 -0.729792 13.1028 -2.87241 -12.3161 TIMING: 1545400 CPU: 4919.05, 0.00320276/step Wall: 4919.05, 0.00320276/step, 3.0734 hours remaining, 237.441406 MB of memory in use. ENERGY: 1545400 3992.8223 20409.2212 14531.2777 255.7758 -203853.7014 2833.1323 0.0000 0.0000 52017.3780 -109814.0941 298.9446 -161831.4722 -109447.8818 298.6893 -69.8796 -46.3268 761080.6124 -23.9334 -23.8221 PRESSURE: 1545600 -137.583 32.2758 -195.938 32.2755 11.1726 64.0497 -195.938 64.049 0.0482649 GPRESSURE: 1545600 -141.195 28.4995 -208.383 39.257 30.5393 -0.013484 -20.959 60.08 61.6888 PRESSAVG: 1545600 -9.21001 -60.1395 -5.54278 -60.1394 -50.7255 34.7713 -5.54279 34.7713 -11.4413 GPRESSAVG: 1545600 -9.65796 -59.8771 -5.28143 -61.2844 -50.7079 33.7892 -3.61969 35.0026 -10.733 TIMING: 1545600 CPU: 4919.69, 0.00318788/step Wall: 4919.69, 0.00318788/step, 3.05894 hours remaining, 237.441406 MB of memory in use. ENERGY: 1545600 3885.1677 20567.9190 14474.5973 240.8359 -203817.3234 2638.3812 0.0000 0.0000 52102.3353 -109908.0870 299.4328 -162010.4223 -109549.6105 298.1470 -42.1208 -16.3223 760536.3672 -23.7923 -23.6996 PRESSURE: 1545800 64.0563 -208.143 -192.082 -208.143 137.637 -13.9649 -192.081 -13.9635 654.23 GPRESSURE: 1545800 81.5253 -215.332 -239.359 -261.179 202.531 -22.0963 -43.0829 71.8645 673.492 PRESSAVG: 1545800 47.4569 -18.3746 -5.89584 -18.3745 -43.7214 29.9862 -5.89586 29.9861 5.7132 GPRESSAVG: 1545800 47.3754 -17.7101 -4.87013 -18.2382 -43.6954 31.1457 -4.07978 30.5463 5.63383 TIMING: 1545800 CPU: 4920.33, 0.0032024/step Wall: 4920.33, 0.0032024/step, 3.0727 hours remaining, 237.441406 MB of memory in use. ENERGY: 1545800 3846.7956 20568.8792 14495.5535 260.6208 -203390.4583 2635.0055 0.0000 0.0000 51853.0034 -109730.6002 297.9999 -161583.6036 -109377.3791 298.5291 285.3080 319.1827 760266.3312 3.1496 3.1046 PRESSURE: 1546000 36.163 -80.5014 82.2339 -80.5002 -147.714 125.057 82.2343 125.056 184.991 GPRESSURE: 1546000 40.8792 -32.1699 177.155 -170.46 -48.7928 97.5211 -17.5184 163.209 188.239 PRESSAVG: 1546000 17.0538 -68.549 -9.72238 -68.549 -66.153 29.8166 -9.72243 29.8165 1.1275 GPRESSAVG: 1546000 17.5007 -69.9496 -9.59733 -68.2209 -65.9748 30.3048 -11.3506 30.0203 0.738716 TIMING: 1546000 CPU: 4920.97, 0.00319339/step Wall: 4920.97, 0.00319339/step, 3.06388 hours remaining, 237.699219 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: 1546000 4020.9247 20656.1837 14495.4591 249.8600 -203440.6974 2658.3403 0.0000 0.0000 51827.1362 -109532.7935 297.8513 -161359.9297 -109176.0240 298.7151 24.4798 60.1084 760713.1319 -15.9906 -15.9118 PRESSURE: 1546200 -209.024 59.572 117.415 59.5719 -444.189 -71.4977 117.415 -71.4982 -0.647855 GPRESSURE: 1546200 -145.714 56.7428 193.399 151.888 -470.026 -104.235 -23.4428 -143.829 37.5154 PRESSAVG: 1546200 57.1189 -55.725 21.2945 -55.725 -38.2712 8.1753 21.2944 8.17531 -14.1462 GPRESSAVG: 1546200 57.9115 -55.6982 22.3676 -55.7258 -38.8027 7.2585 21.7427 8.76665 -14.5999 TIMING: 1546200 CPU: 4921.61, 0.00321434/step Wall: 4921.61, 0.00321434/step, 3.0838 hours remaining, 237.699219 MB of memory in use. ENERGY: 1546200 3973.4136 20660.5958 14443.9670 243.5126 -203367.0364 2478.0363 0.0000 0.0000 51920.6694 -109646.8417 298.3888 -161567.5111 -109285.6257 298.8911 -217.9536 -192.7417 761751.4855 1.5672 1.5030 PRESSURE: 1546400 -232.988 161.503 111.941 161.503 47.8152 124.304 111.942 124.305 222.017 GPRESSURE: 1546400 -92.2397 161.499 11.3218 188.453 21.9445 166.898 157.334 60.3974 197.985 PRESSAVG: 1546400 25.5916 -40.9449 8.75484 -40.945 19.4252 23.782 8.75482 23.782 12.2902 GPRESSAVG: 1546400 26.7269 -40.7954 5.64471 -40.7472 18.1303 23.9729 9.46022 23.7115 12.7111 TIMING: 1546400 CPU: 4922.25, 0.00320614/step Wall: 4922.25, 0.00320614/step, 3.07576 hours remaining, 237.699219 MB of memory in use. ENERGY: 1546400 4003.2819 20429.2853 14446.5228 252.8795 -203463.2899 2608.0506 0.0000 0.0000 52175.0098 -109548.2599 299.8505 -161723.2697 -109182.1913 298.8459 12.2813 42.5633 760045.4198 19.1024 19.1895 PRESSURE: 1546600 -55.0153 44.7938 -93.0626 44.7935 -99.0267 -19.1363 -93.0629 -19.1367 -97.926 GPRESSURE: 1546600 52.9704 -45.8561 -88.1797 -28.6374 -120.58 -94.8638 78.6022 -122.973 -135.066 PRESSAVG: 1546600 47.1975 -13.4454 -12.5787 -13.4454 -20.6042 27.7626 -12.5787 27.7626 10.5455 GPRESSAVG: 1546600 45.4424 -15.7063 -10.3102 -13.8886 -19.2498 27.7323 -13.8746 25.3644 10.6518 TIMING: 1546600 CPU: 4922.89, 0.00320263/step Wall: 4922.89, 0.00320263/step, 3.07222 hours remaining, 237.699219 MB of memory in use. ENERGY: 1546600 3987.7987 20506.6471 14509.2236 255.2264 -203514.0811 2468.7400 0.0000 0.0000 52092.5419 -109693.9034 299.3766 -161786.4453 -109323.9146 299.0651 -83.9894 -67.5585 762090.2327 12.3796 12.2815 PRESSURE: 1546800 -458.515 41.2941 153.647 41.2942 -634.203 69.2871 153.647 69.2865 -88.5588 GPRESSURE: 1546800 -475.549 -43.6074 107.706 -43.6655 -552.32 141.722 262.679 -3.90817 -84.1494 PRESSAVG: 1546800 -13.6404 -51.966 56.6862 -51.966 10.8877 63.425 56.6862 63.4251 -16.1701 GPRESSAVG: 1546800 -15.0064 -51.6055 54.0286 -52.1955 12.0912 64.0532 59.4113 66.9719 -16.326 TIMING: 1546800 CPU: 4923.53, 0.00319112/step Wall: 4923.53, 0.00319112/step, 3.061 hours remaining, 237.699219 MB of memory in use. ENERGY: 1546800 4025.6374 20587.5177 14467.9585 240.3414 -203351.1416 2252.4730 0.0000 0.0000 52120.9068 -109656.3069 299.5396 -161777.2136 -109301.0528 298.9643 -393.7590 -370.6728 762727.0454 -6.3076 -6.4137 PRESSURE: 1547000 -184.915 11.6398 18.8703 11.6397 -76.789 87.577 18.8702 87.5769 274.196 GPRESSURE: 1547000 -78.4637 56.1408 43.0545 -84.8015 -66.2509 -35.4283 35.1964 127.242 285.839 PRESSAVG: 1547000 -9.32097 -60.8239 -17.5821 -60.8238 -0.0347702 7.6225 -17.5821 7.6225 -12.5606 GPRESSAVG: 1547000 -8.30217 -60.3897 -14.9252 -60.154 -0.687286 6.41834 -19.4891 7.83427 -12.5466 TIMING: 1547000 CPU: 4924.17, 0.0031861/step Wall: 4924.17, 0.0031861/step, 3.056 hours remaining, 237.699219 MB of memory in use. ENERGY: 1547000 3998.1635 20405.6821 14408.1405 253.3738 -203295.0816 2485.2269 0.0000 0.0000 52056.3501 -109688.1447 299.1686 -161744.4948 -109316.5173 299.0001 4.1640 47.0415 761103.2813 -7.3055 -7.1787 PRESSURE: 1547200 -32.4753 -185.384 -108.348 -185.384 -34.3619 114.935 -108.347 114.936 -14.1779 GPRESSURE: 1547200 62.6355 -115.031 -113.517 -69.1237 -67.3129 42.8337 -93.6027 225.878 18.8154 PRESSAVG: 1547200 72.7071 -37.4738 49.9136 -37.4738 -26.5772 25.5534 49.9137 25.5533 1.55101 GPRESSAVG: 1547200 73.4412 -37.8523 48.7539 -34.9172 -28.1908 27.1941 48.7642 22.9063 2.36183 TIMING: 1547200 CPU: 4924.81, 0.00320948/step Wall: 4924.81, 0.00320948/step, 3.07825 hours remaining, 237.699219 MB of memory in use. ENERGY: 1547200 3925.1350 20422.3978 14442.9502 253.3889 -202991.0680 2248.7864 0.0000 0.0000 52109.0411 -109589.3687 299.4714 -161698.4098 -109223.3722 298.9064 -27.0050 4.7127 762937.7512 15.8936 15.8707 PRESSURE: 1547400 -153.495 76.2282 15.4849 76.2277 -348.896 -100.371 15.4842 -100.371 -67.5857 GPRESSURE: 1547400 -102.09 102.362 84.4007 48.9861 -319.476 -42.4017 40.3723 -161.221 -41.0763 PRESSAVG: 1547400 56.4944 -31.2138 33.6721 -31.2137 -41.8335 19.2121 33.6721 19.2121 -23.1011 GPRESSAVG: 1547400 56.2672 -28.1985 34.3942 -35.6459 -40.8839 19.6521 34.269 18.6555 -23.861 TIMING: 1547400 CPU: 4925.45, 0.00320757/step Wall: 4925.45, 0.00320757/step, 3.07624 hours remaining, 237.699219 MB of memory in use. ENERGY: 1547400 4015.1925 20466.7366 14456.8232 251.5449 -203321.3987 2532.4287 0.0000 0.0000 52191.6235 -109407.0494 299.9460 -161598.6728 -109044.4008 298.8536 -189.9922 -154.2140 761265.2015 -2.8134 -2.8259 PRESSURE: 1547600 -31.7852 -87.9946 128.905 -87.9945 -168.962 -72.4529 128.906 -72.4532 29.8062 GPRESSURE: 1547600 -66.0559 -24.2594 98.1855 -138.423 -92.9399 -66.3656 -21.4195 -161.002 72.2872 PRESSAVG: 1547600 -3.679 -29.4949 -13.8919 -29.495 -32.3749 0.260176 -13.892 0.260128 -7.18568 GPRESSAVG: 1547600 -4.67835 -30.623 -14.1767 -26.8044 -31.2147 -2.53521 -12.9169 2.04819 -7.32479 TIMING: 1547600 CPU: 4926.09, 0.00320214/step Wall: 4926.09, 0.00320214/step, 3.07085 hours remaining, 237.699219 MB of memory in use. ENERGY: 1547600 3951.7027 20519.4594 14508.9376 230.9421 -202811.9341 2139.7479 0.0000 0.0000 51900.5197 -109560.6247 298.2730 -161461.1444 -109202.0144 298.5160 -56.9802 -28.9029 761735.7890 -14.4132 -14.4060 PRESSURE: 1547800 -224.369 -8.74169 -314.427 -8.7421 -30.1636 -292.965 -314.427 -292.966 88.7875 GPRESSURE: 1547800 -237.502 -49.2597 -305.898 24.3862 24.8653 -340.154 -260.977 -107.641 114.936 PRESSAVG: 1547800 64.5541 1.81547 -24.9847 1.81538 -50.9489 -10.397 -24.9847 -10.397 5.50989 GPRESSAVG: 1547800 64.9611 1.95496 -24.5621 -0.56687 -51.557 -9.85598 -25.6014 -10.7292 5.08318 TIMING: 1547800 CPU: 4926.73, 0.00319237/step Wall: 4926.73, 0.00319237/step, 3.06131 hours remaining, 237.699219 MB of memory in use. ENERGY: 1547800 3973.1792 20576.6532 14452.2466 228.9125 -203566.1339 2736.5354 0.0000 0.0000 52071.8147 -109526.7924 299.2574 -161598.6071 -109165.2666 299.1987 -55.2485 -32.5666 761782.6509 6.3717 6.1624 PRESSURE: 1548000 389.462 -287.892 63.2489 -287.893 175.086 -124.295 63.2492 -124.296 11.2639 GPRESSURE: 1548000 297.278 -241.954 -4.5991 -257.202 269.852 -101.329 201.148 -238.575 98.4313 PRESSAVG: 1548000 31.841 -17.5644 -12.0037 -17.5643 -13.1599 16.4791 -12.0037 16.4792 14.0815 GPRESSAVG: 1548000 30.6201 -17.892 -12.6926 -14.9953 -11.8773 17.6796 -12.2076 17.0615 14.5589 TIMING: 1548000 CPU: 4927.37, 0.00317874/step Wall: 4927.37, 0.00317874/step, 3.04806 hours remaining, 237.699219 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: 1548000 3974.3942 20455.7829 14470.3397 240.5105 -203531.5065 2665.0963 0.0000 0.0000 51996.6378 -109728.7452 298.8254 -161725.3829 -109376.2484 298.8515 191.9373 221.8538 760721.3152 10.9209 11.1006 PRESSURE: 1548200 -113.905 86.9961 119.052 86.9969 -236.697 149.983 119.053 149.984 232.184 GPRESSURE: 1548200 -70.0785 49.4954 108.929 63.9063 -210.663 141.536 -98.6286 132 224.073 PRESSAVG: 1548200 10.7272 -35.071 69.9864 -35.071 52.5701 -18.7586 69.9864 -18.7586 13.4612 GPRESSAVG: 1548200 12.0243 -36.0124 70.5606 -35.3539 51.9946 -18.5378 71.7634 -17.9063 12.5606 TIMING: 1548200 CPU: 4928, 0.0031876/step Wall: 4928, 0.0031876/step, 3.05637 hours remaining, 237.699219 MB of memory in use. ENERGY: 1548200 3957.9228 20346.1069 14506.7906 248.0548 -203297.3692 2492.3997 0.0000 0.0000 52091.9531 -109654.1413 299.3732 -161746.0944 -109294.2853 298.4504 -39.4726 -18.8895 761937.1639 25.5862 25.5265 LDB: ============= START OF LOAD BALANCING ============== 4940.46 LDB: ============== END OF LOAD BALANCING =============== 4940.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4940.46 LDB: ============= START OF LOAD BALANCING ============== 4940.78 LDB: Largest compute 7060 load 0.037613 is 19.3% of average load 0.195121 LDB: Average compute 0.004421 is 2.3% of average load 0.195121 LDB: TIME 4940.79 LOAD: AVG 0.195121 MAX 0.213878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.043 MB LDB: TIME 4940.79 LOAD: AVG 0.195121 MAX 0.213878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.082 MB LDB: TIME 4940.79 LOAD: AVG 0.195121 MAX 0.213878 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.082 MB LDB: ============== END OF LOAD BALANCING =============== 4940.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4940.79 PRESSURE: 1548400 -42.2303 -177.385 64.5227 -177.385 128.636 -292.226 64.5222 -292.226 148.236 GPRESSURE: 1548400 -113.854 -157.576 -57.6696 -143.084 257.106 -339.189 -63.3768 -369.385 159.768 PRESSAVG: 1548400 22.901 -59.9561 17.2 -59.9562 -22.4862 -35.6671 17.2 -35.667 1.06535 GPRESSAVG: 1548400 22.703 -59.847 15.5146 -60.8506 -22.3408 -36.1014 15.6903 -35.8264 1.02426 TIMING: 1548400 CPU: 4928.66, 0.00326889/step Wall: 4928.66, 0.00326889/step, 3.13414 hours remaining, 237.238281 MB of memory in use. ENERGY: 1548400 3984.6780 20720.8465 14496.8361 247.8445 -203468.7713 2489.5310 0.0000 0.0000 52049.8459 -109479.1895 299.1312 -161529.0354 -109122.8940 299.6039 78.2139 101.0068 760299.1679 0.4934 0.4621 PRESSURE: 1548600 180.905 37.4279 128.008 37.4282 318.62 -2.87513 128.008 -2.87519 -267.307 GPRESSURE: 1548600 136.458 29.4296 86.5724 -93.6205 323.643 41.1901 112.124 -8.01806 -139.996 PRESSAVG: 1548600 17.7406 -52.5477 -9.20695 -52.5477 8.81664 39.5693 -9.20697 39.5693 6.97967 GPRESSAVG: 1548600 17.5904 -53.4135 -7.66437 -50.7907 8.57963 38.4575 -11.0084 37.8707 7.55168 TIMING: 1548600 CPU: 4929.3, 0.00320043/step Wall: 4929.3, 0.00320043/step, 3.06832 hours remaining, 237.238281 MB of memory in use. ENERGY: 1548600 3937.5971 20585.3247 14538.5254 252.6357 -203053.9311 2439.4794 0.0000 0.0000 51865.6459 -109434.7229 298.0726 -161300.3688 -109082.6447 299.6833 77.4062 106.7015 760959.5494 11.1790 11.2406 PRESSURE: 1548800 -113.109 -81.0197 -156.29 -81.0185 66.1652 -100.018 -156.29 -100.018 -69.8588 GPRESSURE: 1548800 -19.4413 -56.3172 -97.1716 -94.7099 67.0839 -214.531 -152.948 67.7185 -62.5971 PRESSAVG: 1548800 -24.6399 -59.4864 18.3402 -59.4864 48.2925 -25.3442 18.3401 -25.3442 12.0748 GPRESSAVG: 1548800 -24.2748 -57.35 18.1732 -61.2261 48.7166 -24.0318 18.0084 -23.9853 11.1881 TIMING: 1548800 CPU: 4929.94, 0.00318412/step Wall: 4929.94, 0.00318412/step, 3.05251 hours remaining, 237.238281 MB of memory in use. ENERGY: 1548800 3984.9655 20410.3702 14567.2087 233.2976 -203313.4103 2652.5688 0.0000 0.0000 52117.5273 -109347.4723 299.5201 -161464.9997 -108987.2499 299.6110 -38.9342 -4.9848 761277.7994 11.9091 11.8766 PRESSURE: 1549000 50.1869 -28.4986 101.356 -28.499 79.5255 80.0692 101.356 80.0704 190.297 GPRESSURE: 1549000 69.6126 -150.531 25.4883 -6.25564 65.6974 46.216 112.535 52.3762 262.165 PRESSAVG: 1549000 -12.629 -75.6207 7.86457 -75.6206 23.0567 21.209 7.86465 21.2091 -22.8883 GPRESSAVG: 1549000 -12.561 -76.3066 9.67942 -76.9905 21.6943 21.0018 8.41525 21.533 -22.0899 TIMING: 1549000 CPU: 4930.58, 0.00322941/step Wall: 4930.58, 0.00322941/step, 3.09575 hours remaining, 237.238281 MB of memory in use. ENERGY: 1549000 4017.8770 20280.9012 14465.6126 257.3180 -203085.9942 2680.0179 0.0000 0.0000 51917.0993 -109467.1683 298.3683 -161384.2676 -109098.7516 299.1958 106.6698 132.4917 762887.7248 -4.1535 -4.3188 PRESSURE: 1549200 176.681 -126.511 -55.0201 -126.51 -134.851 -89.6592 -55.0203 -89.6596 19.7258 GPRESSURE: 1549200 212.913 -121.711 61.3129 -181.368 -129.292 -89.0107 20.9266 -56.6376 47.1517 PRESSAVG: 1549200 -28.0307 -33.0104 0.792015 -33.0105 -8.14093 6.79578 0.791977 6.79578 -11.6692 GPRESSAVG: 1549200 -28.2446 -33.1433 -2.16397 -32.7604 -6.77575 5.81562 3.5387 9.83855 -12.9286 TIMING: 1549200 CPU: 4931.22, 0.00320619/step Wall: 4931.22, 0.00320619/step, 3.07331 hours remaining, 237.238281 MB of memory in use. ENERGY: 1549200 3951.3672 20438.3916 14539.2290 254.1686 -203332.3871 2595.2390 0.0000 0.0000 52112.5445 -109441.4472 299.4915 -161553.9916 -109079.0219 298.9321 20.5187 43.5909 763520.4440 -15.9469 -15.9830 PRESSURE: 1549400 189.3 -138.392 85.7685 -138.393 -278.905 66.0959 85.7674 66.0946 -169.472 GPRESSURE: 1549400 190.357 -113.038 64.3471 -240.9 -244.665 99.9388 15.2697 104.008 -131.791 PRESSAVG: 1549400 -32.8448 -76.2126 14.2588 -76.2127 50.0625 37.2396 14.2588 37.2395 -6.83207 GPRESSAVG: 1549400 -32.6452 -74.7835 16.1326 -76.1073 48.1957 37.58 12.5962 34.2227 -5.57195 TIMING: 1549400 CPU: 4931.86, 0.00320443/step Wall: 4931.86, 0.00320443/step, 3.07145 hours remaining, 237.238281 MB of memory in use. ENERGY: 1549400 4021.2649 20625.8593 14546.7683 266.2283 -203078.7077 2121.4342 0.0000 0.0000 51948.1806 -109548.9722 298.5469 -161497.1528 -109191.5521 299.4995 -86.3589 -62.0329 762094.2808 3.4619 3.3262 PRESSURE: 1549600 -142.508 48.1046 -77.611 48.1035 97.838 -147.951 -77.6113 -147.952 -58.8073 GPRESSURE: 1549600 -36.3071 37.8684 -40.1113 -30.0316 49.238 -170.913 -61.5726 -169.571 -32.4202 PRESSAVG: 1549600 -24.2924 -32.3189 -22.0886 -32.319 62.2039 -5.77183 -22.0887 -5.77179 -1.29956 GPRESSAVG: 1549600 -23.0521 -34.474 -23.6273 -31.9783 61.8819 -4.60386 -22.105 -6.6765 -1.76897 TIMING: 1549600 CPU: 4932.5, 0.00320211/step Wall: 4932.5, 0.00320211/step, 3.06904 hours remaining, 237.238281 MB of memory in use. ENERGY: 1549600 3955.1220 20480.5566 14442.6852 253.9509 -203893.8619 2939.0048 0.0000 0.0000 52072.1020 -109750.4403 299.2591 -161822.5423 -109384.2493 298.7471 -34.4925 -6.4964 761770.8020 12.2040 12.3536 PRESSURE: 1549800 -17.3389 -114.426 26.4208 -114.427 -369.608 -46.9273 26.4207 -46.9276 72.1962 GPRESSURE: 1549800 30.4685 -57.8988 76.4773 -138.149 -306.903 -27.522 -69.9788 -1.42521 47.7458 PRESSAVG: 1549800 5.35685 4.53 -11.4777 4.53001 -12.7308 -7.28465 -11.4777 -7.28459 -8.1305 GPRESSAVG: 1549800 5.25395 5.20376 -10.5092 3.81777 -12.9533 -7.0771 -8.95198 -6.18748 -7.51977 TIMING: 1549800 CPU: 4933.14, 0.00319661/step Wall: 4933.14, 0.00319661/step, 3.0636 hours remaining, 237.238281 MB of memory in use. ENERGY: 1549800 3923.0209 20565.1061 14509.6791 238.6460 -203212.5471 2348.2418 0.0000 0.0000 51955.3082 -109672.5450 298.5879 -161627.8532 -109306.2120 298.4661 -104.9168 -76.2295 763234.5248 -5.1682 -5.0730 PRESSURE: 1550000 140.581 339.727 62.5334 339.727 212.768 25.3787 62.5326 25.3789 79.5413 GPRESSURE: 1550000 101.421 247.239 114.426 305.107 239.349 105.565 71.5473 65.4344 178.174 PRESSAVG: 1550000 11.0081 -3.37992 20.5461 -3.37995 13.5628 20.5306 20.546 20.5306 -14.4361 GPRESSAVG: 1550000 8.84266 -1.70066 19.2663 -2.32559 14.8074 17.1842 19.5803 24.4029 -13.1169 TIMING: 1550000 CPU: 4933.78, 0.00319679/step Wall: 4933.78, 0.00319679/step, 3.06359 hours remaining, 237.238281 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: 1550000 4013.1973 20492.4585 14546.2489 248.9396 -203676.2758 2710.2384 0.0000 0.0000 52155.1827 -109510.0104 299.7366 -161665.1931 -109148.9512 299.3416 144.2967 172.9815 759466.6622 3.3783 3.5111 PRESSURE: 1550200 -71.6601 86.4684 37.6553 86.4683 -336.763 166.861 37.6551 166.86 -451.835 GPRESSURE: 1550200 -128.247 91.5141 2.20165 68.8564 -282.53 151.226 -153.061 54.1244 -367.651 PRESSAVG: 1550200 -8.55147 0.561797 21.5991 0.561847 -14.6616 3.75907 21.5992 3.75904 10.3392 GPRESSAVG: 1550200 -6.67646 0.809476 23.4762 -0.123211 -14.3779 5.47992 19.9034 1.34954 8.17158 TIMING: 1550200 CPU: 4934.42, 0.00319788/step Wall: 4934.42, 0.00319788/step, 3.06445 hours remaining, 237.238281 MB of memory in use. ENERGY: 1550200 4007.1318 20379.8996 14539.1953 234.6330 -203317.3076 2479.4741 0.0000 0.0000 52138.5995 -109538.3742 299.6412 -161676.9738 -109172.9889 299.5051 -286.7526 -259.4762 762578.0260 -4.2913 -4.2943 PRESSURE: 1550400 -231.487 -270.679 40.3528 -270.679 275.803 -9.0126 40.3523 -9.01224 481.028 GPRESSURE: 1550400 -132.402 -227.203 0.235535 -239.38 296.826 -136.463 126.389 130.119 437.187 PRESSAVG: 1550400 17.9959 -24.016 -10.5985 -24.016 7.13885 -16.1717 -10.5984 -16.1716 -5.956 GPRESSAVG: 1550400 16.9198 -27.6035 -10.861 -22.8233 7.19954 -15.3747 -10.1828 -18.2456 -5.15068 TIMING: 1550400 CPU: 4935.06, 0.00319126/step Wall: 4935.06, 0.00319126/step, 3.05794 hours remaining, 237.238281 MB of memory in use. ENERGY: 1550400 3963.3176 20477.5627 14516.9354 244.8696 -203284.9529 2520.6262 0.0000 0.0000 52081.7453 -109479.8960 299.3145 -161561.6414 -109108.6523 298.8218 175.1146 200.5373 761986.9577 6.3929 6.3229 PRESSURE: 1550600 40.4789 287.684 2.5768 287.685 442.716 222.248 2.57727 222.247 434.302 GPRESSURE: 1550600 121.891 237.417 -66.2714 228.374 417.523 285.234 18.4978 165.078 456.03 PRESSAVG: 1550600 6.96097 -18.0346 66.9277 -18.0346 6.69988 17.9798 66.9277 17.9797 7.07765 GPRESSAVG: 1550600 8.78148 -17.051 65.738 -18.709 4.64056 19.5703 67.5312 18.9587 7.2028 TIMING: 1550600 CPU: 4935.7, 0.00319867/step Wall: 4935.7, 0.00319867/step, 3.06486 hours remaining, 237.238281 MB of memory in use. ENERGY: 1550600 3984.0952 20514.4532 14567.4125 255.0086 -203495.0092 2725.1257 0.0000 0.0000 52028.5345 -109420.3795 299.0087 -161448.9140 -109061.0251 298.8934 305.8321 331.8146 760373.0862 6.9128 6.8749 PRESSURE: 1550800 181.461 119.477 -46.3734 119.477 -23.3507 17.8695 -46.3731 17.8699 74.4492 GPRESSURE: 1550800 193.318 117.677 20.287 105.86 18.8918 81.152 -99.4011 -167.962 84.0956 PRESSAVG: 1550800 9.79788 23.1209 -33.7421 23.121 -9.88939 5.26314 -33.7421 5.26306 -1.78995 GPRESSAVG: 1550800 9.28716 23.4513 -32.8646 24.2612 -9.28838 2.90056 -34.1479 4.46298 -2.37493 TIMING: 1550800 CPU: 4936.34, 0.00317946/step Wall: 4936.34, 0.00317946/step, 3.04628 hours remaining, 237.238281 MB of memory in use. ENERGY: 1550800 3845.2353 20534.0079 14426.7059 250.0649 -202824.9216 2458.3746 0.0000 0.0000 52224.5024 -109086.0305 300.1349 -161310.5330 -108704.7272 299.7041 77.5200 98.7684 763510.5343 -0.6272 -0.7920 PRESSURE: 1551000 -22.9468 -171.589 -4.6128 -171.588 -364.359 14.5736 -4.61294 14.5734 85.8165 GPRESSURE: 1551000 -104.469 -164.81 -26.161 -135.502 -208.23 57.6125 10.2409 10.2811 101.691 PRESSAVG: 1551000 -16.3176 25.4095 52.141 25.4095 1.22879 -5.41546 52.141 -5.4154 -0.14955 GPRESSAVG: 1551000 -16.7765 25.513 51.5774 23.2603 1.65814 -5.33306 52.967 -3.81135 0.297526 TIMING: 1551000 CPU: 4936.98, 0.00319846/step Wall: 4936.98, 0.00319846/step, 3.06431 hours remaining, 237.238281 MB of memory in use. ENERGY: 1551000 4008.3784 20458.2026 14413.1898 242.6696 -202889.2668 2475.0890 0.0000 0.0000 52052.2644 -109239.4730 299.1451 -161291.7374 -108875.3321 299.7019 -100.4964 -70.3357 762432.5942 -5.0795 -4.9403 PRESSURE: 1551200 -134.294 -177.823 -3.4171 -177.823 141.495 3.42305 -3.41724 3.42379 -110.162 GPRESSURE: 1551200 -63.7684 -119.653 109.32 -295.924 128.278 23.3708 5.78148 8.30779 -65.6835 PRESSAVG: 1551200 18.4308 -36.5161 29.6727 -36.5161 2.17451 -21.9625 29.6726 -21.9625 -21.4651 GPRESSAVG: 1551200 18.3253 -36.0169 30.9605 -35.236 3.31346 -20.6907 29.0453 -22.2529 -21.6569 TIMING: 1551200 CPU: 4937.61, 0.00319099/step Wall: 4937.61, 0.00319099/step, 3.05697 hours remaining, 237.238281 MB of memory in use. ENERGY: 1551200 3949.3187 20688.8977 14490.7813 261.9029 -203378.3148 2616.2098 0.0000 0.0000 52141.9545 -109229.2499 299.6605 -161371.2043 -108863.0644 299.4680 -34.3202 -0.3913 760947.9402 -0.2866 -0.0061 PRESSURE: 1551400 98.5327 -100.95 125.878 -100.95 17.1334 -61.3793 125.877 -61.3786 -241.846 GPRESSURE: 1551400 105.215 -149.906 151.742 -167.95 84.4629 -13.6852 91.0918 95.808 -240.203 PRESSAVG: 1551400 13.5433 -57.7635 0.604449 -57.7635 46.1227 5.89971 0.604459 5.89975 -14.1635 GPRESSAVG: 1551400 13.6108 -58.1981 0.863124 -57.5672 44.8386 4.33021 1.93493 7.72222 -13.0185 TIMING: 1551400 CPU: 4938.25, 0.0031782/step Wall: 4938.25, 0.0031782/step, 3.04454 hours remaining, 237.238281 MB of memory in use. ENERGY: 1551400 4021.9187 20500.0213 14447.9067 266.2382 -203480.9732 2859.1240 0.0000 0.0000 52183.7673 -109201.9969 299.9008 -161385.7642 -108829.9355 299.7385 -42.0601 -16.8418 761886.7978 15.1675 15.1437 PRESSURE: 1551600 -129.223 -249.026 76.2266 -249.025 -13.4647 186.691 76.2267 186.691 47.4573 GPRESSURE: 1551600 -72.4285 -192.055 13.1139 -199.658 56.9635 152.927 95.1408 226.805 -19.3758 PRESSAVG: 1551600 -66.6425 5.64519 -51.5707 5.64519 23.831 -8.71625 -51.5707 -8.71628 4.0498 GPRESSAVG: 1551600 -66.9632 5.65279 -52.5674 6.39796 24.9554 -8.71405 -52.6023 -10.1423 3.54782 TIMING: 1551600 CPU: 4938.89, 0.00318362/step Wall: 4938.89, 0.00318362/step, 3.04956 hours remaining, 237.238281 MB of memory in use. ENERGY: 1551600 3940.5755 20542.2040 14445.7698 243.9735 -203119.7258 2502.5556 0.0000 0.0000 52173.4278 -109271.2195 299.8414 -161444.6473 -108902.7577 299.2668 -31.7435 -11.6136 762675.0833 -12.9206 -12.8200 PRESSURE: 1551800 -30.1669 27.1044 -121.213 27.105 176.784 -69.2698 -121.213 -69.2707 109.624 GPRESSURE: 1551800 24.7577 42.8495 -160.574 -59.0652 242.954 -7.2601 -166.323 -134.194 88.1401 PRESSAVG: 1551800 32.9045 -73.243 25.6473 -73.243 23.8437 12.5634 25.6473 12.5633 -6.86607 GPRESSAVG: 1551800 33.1495 -73.3587 25.8202 -75.9137 23.3803 13.5356 24.8412 12.0135 -6.85824 TIMING: 1551800 CPU: 4939.52, 0.00317474/step Wall: 4939.52, 0.00317474/step, 3.04087 hours remaining, 237.238281 MB of memory in use. ENERGY: 1551800 3958.9535 20488.5241 14512.3140 253.0643 -203392.8348 2638.6459 0.0000 0.0000 52142.1215 -109399.2114 299.6615 -161541.3330 -109039.5905 299.4690 85.4137 118.6174 761182.2590 16.6274 16.5572 PRESSURE: 1552000 -279.83 -89.604 80.2721 -89.6044 -77.6522 59.6861 80.2713 59.6872 214.108 GPRESSURE: 1552000 -187.387 -62.7915 5.02235 -26.1771 -86.7265 -38.3136 106.401 150.28 256.822 PRESSAVG: 1552000 -59.6348 -51.0545 -4.0174 -51.0544 89.5384 0.742244 -4.01739 0.742258 -12.7297 GPRESSAVG: 1552000 -59.4153 -51.9243 -3.49305 -49.1979 89.912 -1.31663 -2.25115 1.27613 -13.7337 TIMING: 1552000 CPU: 4940.15, 0.00315074/step Wall: 4940.15, 0.00315074/step, 3.01771 hours remaining, 237.238281 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: 1552000 3951.7421 20430.7922 14488.2217 264.1946 -202806.2317 2394.9569 0.0000 0.0000 51985.3259 -109290.9982 298.7604 -161276.3241 -108932.5180 299.9499 -47.7914 -5.7638 762673.8720 5.7246 5.5877 PRESSURE: 1552200 96.2383 39.0966 -104.993 39.0973 -78.9889 -113.958 -104.993 -113.96 167.633 GPRESSURE: 1552200 97.3968 -103.713 -64.2174 206.657 -20.3231 -73.9983 -109.779 -305.081 187.863 PRESSAVG: 1552200 14.586 4.27874 39.2054 4.27876 29.4446 -28.5823 39.2054 -28.5823 -6.96205 GPRESSAVG: 1552200 14.0933 4.37277 38.0973 3.06285 28.8432 -26.3431 38.9323 -29.8887 -5.8758 TIMING: 1552200 CPU: 4940.79, 0.00317853/step Wall: 4940.79, 0.00317853/step, 3.04415 hours remaining, 237.238281 MB of memory in use. ENERGY: 1552200 3996.4968 20456.0273 14569.3818 234.4688 -203545.8265 2935.6416 0.0000 0.0000 52156.6400 -109197.1702 299.7449 -161353.8102 -108836.3881 300.4601 61.6275 88.3122 762739.9547 12.3562 12.3536 LDB: ============= START OF LOAD BALANCING ============== 4953.24 LDB: ============== END OF LOAD BALANCING =============== 4953.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4953.24 LDB: ============= START OF LOAD BALANCING ============== 4953.56 LDB: Largest compute 7059 load 0.037225 is 19.1% of average load 0.195147 LDB: Average compute 0.004412 is 2.3% of average load 0.195147 LDB: TIME 4953.57 LOAD: AVG 0.195147 MAX 0.213056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.215 MB LDB: TIME 4953.57 LOAD: AVG 0.195147 MAX 0.213056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: TIME 4953.57 LOAD: AVG 0.195147 MAX 0.213056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: ============== END OF LOAD BALANCING =============== 4953.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4953.57 PRESSURE: 1552400 -50.4938 -135.407 -65.6119 -135.407 -125.913 -105.111 -65.6114 -105.11 9.62753 GPRESSURE: 1552400 -27.727 -182.3 -153.552 -101.546 -170.772 -10.6926 87.6711 -161.293 104.998 PRESSAVG: 1552400 16.1861 -9.43847 2.64202 -9.43843 17.0819 12.1199 2.64194 12.1199 -3.43799 GPRESSAVG: 1552400 15.4719 -8.62677 3.53248 -7.86866 17.9362 11.8445 3.55503 12.1145 -3.098 TIMING: 1552400 CPU: 4941.44, 0.00325589/step Wall: 4941.44, 0.00325589/step, 3.11806 hours remaining, 237.449219 MB of memory in use. ENERGY: 1552400 3966.1743 20603.8326 14565.8279 249.4926 -203240.9526 2582.4502 0.0000 0.0000 52094.4209 -109178.7540 299.3874 -161273.1749 -108820.0889 299.9314 -55.5932 -31.1671 762060.4556 9.9433 10.1034 PRESSURE: 1552600 44.439 128.32 -7.44051 128.32 -122.429 -117.465 -7.44051 -117.465 -292.431 GPRESSURE: 1552600 2.80511 134.923 -76.7739 184.58 -63.5418 -197.052 -42.6805 -89.4565 -223.006 PRESSAVG: 1552600 32.917 7.13024 -25.7534 7.13024 -33.8555 5.42096 -25.7534 5.42103 0.746297 GPRESSAVG: 1552600 32.0628 7.60295 -25.9739 4.9954 -33.1903 6.35331 -27.6501 6.93015 0.757922 TIMING: 1552600 CPU: 4942.08, 0.00319372/step Wall: 4942.08, 0.00319372/step, 3.05835 hours remaining, 237.707031 MB of memory in use. ENERGY: 1552600 4113.4894 20521.3826 14472.0856 225.5478 -203305.7575 2716.2282 0.0000 0.0000 51920.2511 -109336.7728 298.3864 -161257.0240 -108988.9300 299.4460 -123.4737 -94.5809 763103.4953 -0.0641 -0.1232 PRESSURE: 1552800 184.727 -19.6516 153.322 -19.6536 -168.863 212.029 153.321 212.03 198.111 GPRESSURE: 1552800 347.609 -38.7817 146.184 -92.6424 -183.653 238.128 164.051 177.409 148.827 PRESSAVG: 1552800 -28.5653 1.56696 -7.86483 1.56699 -13.5567 -16.3219 -7.86481 -16.3218 -7.86339 GPRESSAVG: 1552800 -26.3753 1.67226 -8.44568 2.44376 -14.342 -15.5678 -8.06661 -17.9636 -9.11386 TIMING: 1552800 CPU: 4942.71, 0.00316479/step Wall: 4942.71, 0.00316479/step, 3.03046 hours remaining, 237.707031 MB of memory in use. ENERGY: 1552800 4038.6178 20509.3928 14465.1255 238.9451 -203558.0884 2967.4019 0.0000 0.0000 52121.3325 -109217.2730 299.5420 -161338.6054 -108852.0588 299.4635 71.3250 104.2608 763457.3824 -16.6618 -16.6104 PRESSURE: 1553000 -327.076 -104.481 -75.423 -104.482 -247.165 -53.2457 -75.4236 -53.2463 -288.985 GPRESSURE: 1553000 -311.117 -90.1585 -121.696 -95.1454 -108.124 -56.9733 -110.564 -44.561 -339.036 PRESSAVG: 1553000 -0.252043 -11.8443 0.415971 -11.8443 -48.4773 -15.6194 0.415993 -15.6194 -15.3451 GPRESSAVG: 1553000 0.987022 -11.0012 -0.204913 -11.7528 -49.404 -19.2104 0.103735 -13.2375 -15.1866 TIMING: 1553000 CPU: 4943.34, 0.00316429/step Wall: 4943.34, 0.00316429/step, 3.02981 hours remaining, 237.707031 MB of memory in use. ENERGY: 1553000 4047.3950 20400.2023 14476.4936 235.2848 -203208.5716 2539.3361 0.0000 0.0000 52138.4421 -109371.4177 299.6403 -161509.8598 -109010.5810 299.7510 -287.7420 -252.7590 761330.6439 -21.3581 -21.2012 PRESSURE: 1553200 -5.03859 -36.0249 -4.45484 -36.0236 183.681 35.6277 -4.4544 35.6295 -124.527 GPRESSURE: 1553200 68.2825 -68.3708 -31.137 141.947 189.085 19.882 -11.0549 39.3121 -124.845 PRESSAVG: 1553200 21.1809 -48.1782 -21.8823 -48.1782 2.72111 -54.974 -21.8823 -54.9739 3.37029 GPRESSAVG: 1553200 21.2443 -46.9669 -20.488 -48.0853 2.17748 -55.1049 -22.5333 -57.3844 3.55654 TIMING: 1553200 CPU: 4943.98, 0.00316396/step Wall: 4943.98, 0.00316396/step, 3.02932 hours remaining, 237.707031 MB of memory in use. ENERGY: 1553200 3956.7639 20600.9655 14537.9381 250.7899 -203569.1653 2787.5147 0.0000 0.0000 52057.3747 -109377.8185 299.1744 -161435.1932 -109029.5923 299.8161 18.0383 44.1743 761856.5772 9.0908 8.9928 PRESSURE: 1553400 -75.5235 -247.618 37.8749 -247.619 52.0142 -100.609 37.875 -100.609 301.286 GPRESSURE: 1553400 -130.652 -85.9046 35.6092 -304.481 189.232 -24.6716 63.3108 -149.578 288.222 PRESSAVG: 1553400 1.82066 -38.1314 27.8936 -38.1314 -26.0774 -42.7211 27.8936 -42.7211 0.252553 GPRESSAVG: 1553400 0.613418 -40.4398 28.2083 -37.9826 -24.7711 -40.5616 29.7725 -41.533 0.304886 TIMING: 1553400 CPU: 4944.61, 0.00318914/step Wall: 4944.61, 0.00318914/step, 3.05324 hours remaining, 237.761719 MB of memory in use. ENERGY: 1553400 3932.5642 20545.0830 14529.6997 252.4512 -203406.8019 2543.5322 0.0000 0.0000 52092.5254 -109510.9463 299.3765 -161603.4717 -109152.9740 299.3501 92.5924 115.6004 762094.3744 -8.0014 -7.9509 PRESSURE: 1553600 465.566 -138.897 175.065 -138.898 20.7102 60.2487 175.065 60.2491 -132.37 GPRESSURE: 1553600 415.146 -52.6885 170.704 -210.024 116.431 26.9617 75.4718 106.536 -83.4773 PRESSAVG: 1553600 43.4456 -22.0771 12.1783 -22.077 -3.91064 26.0973 12.1782 26.0972 -9.47685 GPRESSAVG: 1553600 42.5585 -20.5507 12.0213 -21.2923 -3.18443 25.0162 10.1946 26.3052 -8.99122 TIMING: 1553600 CPU: 4945.25, 0.00316113/step Wall: 4945.25, 0.00316113/step, 3.02625 hours remaining, 237.761719 MB of memory in use. ENERGY: 1553600 3963.1250 20315.6228 14513.2313 246.6831 -203288.6452 2612.9523 0.0000 0.0000 52113.3609 -109523.6699 299.4962 -161637.0308 -109155.4011 298.9366 117.9686 149.3665 760902.8199 10.0194 10.1276 PRESSURE: 1553800 -20.5852 -57.193 -87.4942 -57.1932 -497.59 -15.5248 -87.4938 -15.5253 -52.6237 GPRESSURE: 1553800 -44.1843 -24.4617 27.5633 -131.522 -380.932 101.736 -46.8099 -105.113 -52.8442 PRESSAVG: 1553800 49.0688 -29.9773 93.4395 -29.9773 5.02014 22.9721 93.4395 22.9721 6.70672 GPRESSAVG: 1553800 49.3609 -33.4964 93.4809 -32.2908 5.06042 22.5175 97.0817 23.2699 6.27893 TIMING: 1553800 CPU: 4945.88, 0.00316702/step Wall: 4945.88, 0.00316702/step, 3.03172 hours remaining, 237.761719 MB of memory in use. ENERGY: 1553800 4034.0533 20480.1001 14473.9708 232.3069 -203105.7753 2338.3336 0.0000 0.0000 51931.6192 -109615.3914 298.4517 -161547.0106 -109254.5538 299.4172 -190.2665 -159.3203 762267.8054 20.2652 20.2334 PRESSURE: 1554000 -277.229 -53.1906 -129.052 -53.1903 -97.9092 -33.0925 -129.052 -33.0925 -597.942 GPRESSURE: 1554000 -171.732 -69.0122 -35.3845 -47.5217 -106.784 -32.1022 -90.0423 66.6353 -604.843 PRESSAVG: 1554000 2.19076 -46.114 74.0826 -46.114 -51.848 25.0925 74.0825 25.0925 14.0977 GPRESSAVG: 1554000 3.86384 -43.7345 75.9371 -42.7184 -54.1582 26.0687 72.3213 24.294 14.4314 TIMING: 1554000 CPU: 4946.51, 0.00317912/step Wall: 4946.51, 0.00317912/step, 3.04312 hours remaining, 237.761719 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: 1554000 3963.8885 20451.3723 14437.1371 258.7897 -203069.4716 2254.1827 0.0000 0.0000 51975.0029 -109729.0983 298.7011 -161704.1013 -109364.1318 299.0128 -324.3599 -294.4531 762471.9976 -11.8532 -11.9543 PRESSURE: 1554200 -201.888 77.1304 315.852 77.1312 19.0312 -3.82543 315.852 -3.82666 62.4142 GPRESSURE: 1554200 -185.831 87.9805 207.132 128.506 60.9054 -21.763 354.445 -72.0667 94.7481 PRESSAVG: 1554200 7.05292 -20.8328 47.0033 -20.8328 -14.6676 29.1844 47.0033 29.1844 12.5762 GPRESSAVG: 1554200 4.96682 -20.095 46.9234 -20.7069 -13.3987 29.3396 48.2269 28.2315 12.7795 TIMING: 1554200 CPU: 4947.15, 0.00316866/step Wall: 4947.15, 0.00316866/step, 3.03293 hours remaining, 237.761719 MB of memory in use. ENERGY: 1554200 3956.2428 20501.0819 14426.1329 230.7384 -203683.5090 2592.4792 0.0000 0.0000 52271.6103 -109705.2234 300.4057 -161976.8337 -109339.2970 298.7697 -40.1475 -10.0592 759757.6630 1.6538 1.4492 PRESSURE: 1554400 55.1556 -86.157 -7.19131 -86.1572 18.8271 -172.36 -7.19229 -172.361 -38.0577 GPRESSURE: 1554400 157.498 -1.10213 -91.0798 -117.202 98.4538 -81.9485 19.0599 -220.658 -145.299 PRESSAVG: 1554400 19.0506 -28.6174 3.79383 -28.6175 -4.73979 4.69333 3.7939 4.69331 17.9824 GPRESSAVG: 1554400 20.3031 -25.9991 2.32351 -31.429 -4.11091 4.57793 3.36003 3.05334 16.2684 TIMING: 1554400 CPU: 4947.78, 0.00316479/step Wall: 4947.78, 0.00316479/step, 3.02905 hours remaining, 237.761719 MB of memory in use. ENERGY: 1554400 4057.3199 20601.2044 14407.3952 249.7866 -203709.9202 2807.9778 0.0000 0.0000 52241.0194 -109345.2169 300.2299 -161586.2363 -108984.5112 299.3178 11.9750 36.8843 760053.9581 10.7644 10.8202 PRESSURE: 1554600 109.208 127.018 48.9836 127.018 -41.5307 35.5129 48.9842 35.5134 55.1842 GPRESSURE: 1554600 65.8324 -25.6015 69.3641 72.6382 -25.7061 24.768 27.7421 91.3783 184.598 PRESSAVG: 1554600 28.6236 -32.199 17.7951 -32.1991 -44.4779 9.89981 17.7951 9.89987 -17.8152 GPRESSAVG: 1554600 27.4774 -37.9986 18.2952 -29.615 -45.3523 10.1847 17.5935 12.9381 -16.1297 TIMING: 1554600 CPU: 4948.42, 0.00318261/step Wall: 4948.42, 0.00318261/step, 3.04594 hours remaining, 237.964844 MB of memory in use. ENERGY: 1554600 3934.4902 20756.9751 14453.7573 246.0990 -203027.7336 2466.7443 0.0000 0.0000 52059.2980 -109110.3696 299.1855 -161169.6676 -108749.2264 300.0521 40.9538 74.9082 761291.1947 -11.2231 -11.3349 PRESSURE: 1554800 -97.0445 -62.2028 31.7021 -62.2026 10.2225 32.1028 31.7031 32.1023 1.38206 GPRESSURE: 1554800 -9.95736 -19.2935 18.8902 -115.174 52.3393 19.6914 -11.7705 -70.217 -35.5423 PRESSAVG: 1554800 17.3734 36.5639 10.3507 36.564 -36.1389 -20.2349 10.3508 -20.2349 3.37779 GPRESSAVG: 1554800 17.2258 38.5131 12.3226 36.0699 -36.4519 -20.8223 8.46714 -22.2608 3.6353 TIMING: 1554800 CPU: 4949.06, 0.00319725/step Wall: 4949.06, 0.00319725/step, 3.05976 hours remaining, 237.964844 MB of memory in use. ENERGY: 1554800 3894.0332 20666.2613 14460.2936 257.6660 -203419.8985 2794.6056 0.0000 0.0000 52266.6262 -109080.4126 300.3770 -161347.0387 -108726.1424 299.7854 -28.4800 2.2799 762323.3025 -5.1292 -5.1969 PRESSURE: 1555000 143.855 -183.361 -82.3151 -183.361 -47.3635 -178.241 -82.3151 -178.241 -432.095 GPRESSURE: 1555000 173.894 -123.566 -147.637 -231.842 5.79564 -146.493 -93.4426 -149.179 -430.418 PRESSAVG: 1555000 -1.09236 -46.211 -15.5499 -46.211 4.97766 28.4253 -15.5499 28.4253 -10.375 GPRESSAVG: 1555000 -0.124937 -46.6682 -17.02 -44.9512 3.52642 28.1051 -13.689 29.9538 -9.63103 TIMING: 1555000 CPU: 4949.69, 0.00317936/step Wall: 4949.69, 0.00317936/step, 3.04247 hours remaining, 237.964844 MB of memory in use. ENERGY: 1555000 4004.1037 20410.6607 14495.7922 231.9537 -203101.2835 2506.2321 0.0000 0.0000 52251.7749 -109200.7663 300.2917 -161452.5412 -108824.3621 300.1502 -111.8679 -83.5763 762377.2501 -2.1633 -2.0765 PRESSURE: 1555200 35.1387 -82.9866 276.66 -82.9874 -231.641 -138.856 276.661 -138.856 279.851 GPRESSURE: 1555200 -16.6148 11.7865 264.774 3.84177 -82.4164 -112.609 237.396 -101.051 263.323 PRESSAVG: 1555200 -12.4567 -11.1301 -27.6417 -11.13 -28.7063 -13.7847 -27.6417 -13.7847 -9.39604 GPRESSAVG: 1555200 -12.9086 -7.86649 -26.4809 -13.8794 -27.4007 -12.4168 -29.8345 -15.3362 -10.0145 TIMING: 1555200 CPU: 4950.33, 0.0031761/step Wall: 4950.33, 0.0031761/step, 3.03917 hours remaining, 237.964844 MB of memory in use. ENERGY: 1555200 4002.1242 20453.1973 14540.7499 257.1125 -203514.6626 2781.0068 0.0000 0.0000 52417.4758 -109062.9961 301.2440 -161480.4719 -108690.0459 300.1143 27.7830 54.7639 761865.8996 -16.8530 -16.7746 PRESSURE: 1555400 82.7192 354.642 -165.046 354.641 -282.974 203.787 -165.046 203.786 -239.269 GPRESSURE: 1555400 91.285 303.865 -87.9997 418.113 -214.614 89.352 -83.5001 308.558 -230.398 PRESSAVG: 1555400 22.5967 44.6458 52.8478 44.6457 -17.0246 13.5802 52.8478 13.5802 11.4485 GPRESSAVG: 1555400 22.878 43.4324 52.4776 47.2931 -17.2562 11.9833 55.7901 15.5276 11.9504 TIMING: 1555400 CPU: 4950.96, 0.00317066/step Wall: 4950.96, 0.00317066/step, 3.0338 hours remaining, 237.964844 MB of memory in use. ENERGY: 1555400 4077.3516 20666.3425 14472.3386 243.2732 -203613.4008 2907.1933 0.0000 0.0000 52192.3520 -109054.5496 299.9502 -161246.9016 -108694.9329 299.9368 -146.5081 -117.9089 760348.7780 5.6735 5.8574 PRESSURE: 1555600 -193.073 -10.689 59.1004 -10.689 -210.207 307.663 59.1014 307.662 364.709 GPRESSURE: 1555600 -138.966 2.73824 16.734 -66.9424 -178.848 246.817 -26.8728 334.161 359.539 PRESSAVG: 1555600 31.5192 -19.5355 39.5112 -19.5355 -105.953 56.0876 39.5112 56.0876 -10.3027 GPRESSAVG: 1555600 31.0214 -19.5376 38.7786 -20.7947 -104.178 59.4546 36.7646 56.1404 -11.6996 TIMING: 1555600 CPU: 4951.6, 0.00317223/step Wall: 4951.6, 0.00317223/step, 3.03512 hours remaining, 237.964844 MB of memory in use. ENERGY: 1555600 4000.9688 20523.4757 14498.1477 235.8127 -203002.1390 2483.2103 0.0000 0.0000 52012.8967 -109247.6272 298.9188 -161260.5239 -108891.7258 300.1655 -12.8568 13.9083 761681.6161 -28.2454 -28.2854 PRESSURE: 1555800 -217.838 -151.43 347.435 -151.43 -185.297 -140.105 347.436 -140.105 262.942 GPRESSURE: 1555800 -86.479 -86.2824 366.519 -191.62 -138.485 -195.312 408.542 -56.0895 176.883 PRESSAVG: 1555800 36.3967 -37.5228 15.8794 -37.5229 -52.2914 -8.5892 15.8794 -8.58912 -0.647772 GPRESSAVG: 1555800 36.8687 -37.8605 16.3373 -36.6746 -53.2628 -10.857 16.8332 -8.60247 -0.0414461 TIMING: 1555800 CPU: 4952.23, 0.00317356/step Wall: 4952.23, 0.00317356/step, 3.03622 hours remaining, 237.964844 MB of memory in use. ENERGY: 1555800 3995.4257 20617.1012 14374.1444 241.4628 -203097.9623 2424.5405 0.0000 0.0000 52312.5484 -109132.7393 300.6409 -161445.2877 -108768.4414 299.9195 -46.7312 -16.0272 760736.2859 -5.5142 -5.4785 PRESSURE: 1556000 195.927 -29.1072 -227.929 -29.1071 -40.2433 -175.322 -227.93 -175.322 -280.659 GPRESSURE: 1556000 221.082 -126.751 -149.403 -96.7473 -13.1376 -141.259 -97.4871 -73.9715 -238.581 PRESSAVG: 1556000 41.7309 -45.7224 21.605 -45.7224 -48.9328 17.6489 21.6051 17.6489 -2.3197 GPRESSAVG: 1556000 42.4227 -45.6497 21.4058 -46.3659 -49.69 19.4364 22.0103 17.0307 -2.1933 TIMING: 1556000 CPU: 4952.87, 0.00317583/step Wall: 4952.87, 0.00317583/step, 3.03821 hours remaining, 237.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1556000 3896.8181 20551.3311 14476.2786 246.4337 -203259.4815 2815.0569 0.0000 0.0000 51956.0200 -109317.5431 298.5920 -161273.5631 -108956.3561 299.6500 -41.6585 -10.2122 762014.0621 -3.1739 -3.1535 PRESSURE: 1556200 -419.798 140.711 -5.19917 140.711 -166.977 37.5067 -5.19863 37.5077 -72.1031 GPRESSURE: 1556200 -363.753 168.614 -28.9355 19.5289 -100.934 93.6262 56.6178 178.771 -113.092 PRESSAVG: 1556200 2.40977 -11.0776 13.474 -11.0777 -29.8193 -24.6503 13.474 -24.6504 7.25412 GPRESSAVG: 1556200 1.57527 -9.91392 13.0813 -12.2744 -28.7782 -25.9343 16.049 -24.2344 6.95502 TIMING: 1556200 CPU: 4953.5, 0.00317862/step Wall: 4953.5, 0.00317862/step, 3.0407 hours remaining, 237.964844 MB of memory in use. ENERGY: 1556200 3977.6103 20721.7597 14521.0499 251.3144 -203438.1845 2435.2655 0.0000 0.0000 52193.0827 -109338.1020 299.9544 -161531.1846 -108980.1449 298.9958 -219.6260 -192.5930 762761.8245 -6.7185 -6.7493 LDB: ============= START OF LOAD BALANCING ============== 4965.96 LDB: ============== END OF LOAD BALANCING =============== 4965.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4965.96 LDB: ============= START OF LOAD BALANCING ============== 4966.28 LDB: Largest compute 7059 load 0.037092 is 19.0% of average load 0.195175 LDB: Average compute 0.004402 is 2.3% of average load 0.195175 LDB: TIME 4966.28 LOAD: AVG 0.195175 MAX 0.212333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.438 MB LDB: TIME 4966.28 LOAD: AVG 0.195175 MAX 0.212333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.641 MB LDB: TIME 4966.28 LOAD: AVG 0.195175 MAX 0.212333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.641 MB LDB: ============== END OF LOAD BALANCING =============== 4966.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4966.29 PRESSURE: 1556400 45.5548 39.8395 -19.4994 39.84 262.211 120.437 -19.4998 120.437 107.785 GPRESSURE: 1556400 121.952 -18.9496 -16.3713 106.328 282.027 187.099 -117.39 -38.4392 114.735 PRESSAVG: 1556400 -8.26706 4.69531 1.73179 4.69536 -13.6706 -2.41842 1.7318 -2.41846 -7.4695 GPRESSAVG: 1556400 -7.51229 4.57727 1.95401 5.02373 -14.3169 -3.18208 -0.703911 -3.00445 -7.49189 TIMING: 1556400 CPU: 4954.15, 0.00324716/step Wall: 4954.15, 0.00324716/step, 3.10609 hours remaining, 238.957031 MB of memory in use. ENERGY: 1556400 4002.8129 20612.7411 14443.1273 241.6633 -203664.3117 2852.7447 0.0000 0.0000 51959.4900 -109551.7323 298.6119 -161511.2223 -109197.2739 299.3530 138.5169 172.9045 759110.1780 -9.8024 -9.7737 PRESSURE: 1556600 -64.4959 12.1492 -128.526 12.15 -46.0761 -366.494 -128.526 -366.493 381.325 GPRESSURE: 1556600 15.4935 7.7094 -179.305 5.1812 -47.7759 -375.541 -114.025 -373.721 392.838 PRESSAVG: 1556600 10.0215 23.1754 -7.14174 23.1755 -16.4681 -33.5365 -7.14174 -33.5366 -16.2769 GPRESSAVG: 1556600 9.38235 21.6917 -7.96706 24.8877 -16.2051 -33.4575 -6.52913 -33.423 -16.9252 TIMING: 1556600 CPU: 4954.79, 0.00318517/step Wall: 4954.79, 0.00318517/step, 3.04661 hours remaining, 239.027344 MB of memory in use. ENERGY: 1556600 3973.7705 20630.0286 14470.9763 242.8777 -203368.8624 2535.0152 0.0000 0.0000 52049.3869 -109466.8072 299.1285 -161516.1941 -109111.7139 299.1885 90.2511 120.1851 759781.5837 -7.5745 -7.9160 PRESSURE: 1556800 85.123 15.6135 -110.112 15.614 -134.436 -121.026 -110.112 -121.026 -251.482 GPRESSURE: 1556800 90.3051 89.4792 -32.5557 -22.1178 -20.9479 -95.0916 -56.4396 -107.593 -304.552 PRESSAVG: 1556800 25.4055 -22.0697 -24.1388 -22.0698 -28.9921 -21.8544 -24.1389 -21.8544 4.13856 GPRESSAVG: 1556800 24.7168 -20.8161 -24.2906 -23.9334 -28.1759 -21.9277 -23.7578 -21.8047 4.7332 TIMING: 1556800 CPU: 4955.43, 0.00318867/step Wall: 4955.43, 0.00318867/step, 3.04979 hours remaining, 239.027344 MB of memory in use. ENERGY: 1556800 3978.6897 20678.1196 14496.3441 224.5033 -203431.3359 2526.1233 0.0000 0.0000 52032.7832 -109494.7729 299.0331 -161527.5561 -109127.2648 299.4558 -100.2650 -78.3983 760160.8104 0.1840 0.4247 PRESSURE: 1557000 7.25303 -161.746 189.267 -161.745 28.9525 -124.242 189.267 -124.243 -68.5049 GPRESSURE: 1557000 89.6605 -43.4588 163.39 -107.786 -25.5142 -128.603 45.7187 -115.72 -2.73699 PRESSAVG: 1557000 44.9113 -52.7318 -6.97552 -52.7318 -34.5426 -16.2267 -6.97549 -16.2267 -11.6999 GPRESSAVG: 1557000 45.1757 -54.4627 -6.62456 -49.2386 -35.6869 -16.8454 -6.59303 -15.5375 -10.8754 TIMING: 1557000 CPU: 4956.06, 0.00317347/step Wall: 4956.06, 0.00317347/step, 3.03507 hours remaining, 239.027344 MB of memory in use. ENERGY: 1557000 3969.4862 20645.5080 14506.8023 245.6407 -203484.5375 2552.1185 0.0000 0.0000 51965.5162 -109599.4657 298.6465 -161564.9819 -109229.0321 298.9285 -10.7664 20.4698 759273.2759 -0.4437 -0.4622 PRESSURE: 1557200 87.5316 -67.6744 -26.6601 -67.6741 -45.819 97.0918 -26.6612 97.0918 38.3563 GPRESSURE: 1557200 115.598 4.23853 2.49152 62.7691 -63.7342 64.1868 -55.9083 5.34823 97.6392 PRESSAVG: 1557200 27.9946 -0.214432 -16.6868 -0.214412 -34.2918 -49.8421 -16.6868 -49.8421 7.01051 GPRESSAVG: 1557200 29.0411 1.65376 -16.4154 -0.606983 -35.4371 -49.4158 -17.3268 -49.3614 6.67498 TIMING: 1557200 CPU: 4956.7, 0.00318101/step Wall: 4956.7, 0.00318101/step, 3.0421 hours remaining, 239.027344 MB of memory in use. ENERGY: 1557200 3901.3278 20586.4888 14539.7078 241.6868 -203611.5414 2627.6860 0.0000 0.0000 51940.5615 -109774.0826 298.5031 -161714.6441 -109407.7988 298.4285 26.6896 49.8343 759952.9223 0.2378 0.0930 PRESSURE: 1557400 -8.94425 235.238 -3.5735 235.238 230.777 -5.66173 -3.57398 -5.66126 -178.141 GPRESSURE: 1557400 -5.48527 107.543 56.7335 260.486 257.499 137.194 15.8536 -74.2944 -143.966 PRESSAVG: 1557400 46.1959 9.73278 30.1931 9.73276 -21.701 -9.80636 30.193 -9.80632 13.6535 GPRESSAVG: 1557400 45.6892 8.00589 31.0171 7.50027 -21.9033 -10.4053 30.0453 -10.9184 13.7721 TIMING: 1557400 CPU: 4957.33, 0.00317376/step Wall: 4957.33, 0.00317376/step, 3.035 hours remaining, 239.027344 MB of memory in use. ENERGY: 1557400 3973.8885 20586.5523 14420.3373 233.4395 -203769.0741 2658.1551 0.0000 0.0000 52112.2552 -109784.4462 299.4898 -161896.7014 -109412.6980 298.8221 14.5638 36.0160 759869.0365 12.7161 12.5193 PRESSURE: 1557600 -207.449 -122.605 50.3876 -122.605 -120.963 -351.007 50.3885 -351.007 -7.31603 GPRESSURE: 1557600 -266.56 -139.554 65.5161 -63.4241 -40.5142 -418.205 74.7872 -371.988 64.0507 PRESSAVG: 1557600 -5.64116 -14.7881 40.0721 -14.7881 -23.6035 -21.3286 40.0721 -21.3286 32.6804 GPRESSAVG: 1557600 -7.04259 -15.0106 39.0117 -14.6412 -22.4565 -21.0912 40.3586 -20.8562 32.6241 TIMING: 1557600 CPU: 4957.97, 0.00317853/step Wall: 4957.97, 0.00317853/step, 3.03939 hours remaining, 239.027344 MB of memory in use. ENERGY: 1557600 3950.3896 20462.7650 14473.8900 248.5456 -203319.8637 2422.2612 0.0000 0.0000 51973.9442 -109788.0682 298.6950 -161762.0124 -109422.3030 298.4313 -111.9093 -81.0077 760097.9541 1.1453 1.0417 PRESSURE: 1557800 158.162 -20.3611 -35.8705 -20.3605 -34.1762 105.125 -35.8695 105.126 -166.114 GPRESSURE: 1557800 105.615 -13.42 -115.139 23.1194 94.6672 70.4876 -89.4872 123.989 -152.777 PRESSAVG: 1557800 40.129 -16.974 -11.4219 -16.974 -9.00485 63.2661 -11.4219 63.2661 8.19913 GPRESSAVG: 1557800 39.906 -15.9191 -11.5245 -17.0713 -8.96607 63.7917 -11.2998 61.2032 8.365 TIMING: 1557800 CPU: 4958.6, 0.0031605/step Wall: 4958.6, 0.0031605/step, 3.02196 hours remaining, 239.027344 MB of memory in use. ENERGY: 1557800 3986.0139 20511.3407 14403.0453 249.3581 -203663.9428 2797.3122 0.0000 0.0000 51968.5360 -109748.3366 298.6639 -161716.8726 -109389.8237 298.4356 -14.0426 15.8351 760272.9066 13.1078 13.1016 PRESSURE: 1558000 -72.7726 -2.2875 0.54818 -2.28863 -100.858 -124.866 0.548633 -124.865 316.822 GPRESSURE: 1558000 17.9234 81.1572 -55.981 12.8806 -101.926 -157.608 -17.845 -170.169 293.341 PRESSAVG: 1558000 66.4578 -24.1004 0.932675 -24.1004 -56.3236 1.40162 0.932745 1.40153 -8.09977 GPRESSAVG: 1558000 68.1973 -22.1582 1.47884 -22.219 -58.9203 0.00708946 1.91731 3.2183 -7.59343 TIMING: 1558000 CPU: 4959.23, 0.00315862/step Wall: 4959.23, 0.00315862/step, 3.01999 hours remaining, 239.027344 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: 1558000 3955.5166 20482.2368 14488.2855 272.7333 -203616.9882 2547.7321 0.0000 0.0000 52301.4095 -109569.0744 300.5769 -161870.4839 -109211.2604 299.0166 47.7305 69.7792 761967.9648 0.6781 0.5612 PRESSURE: 1558200 -141.381 -59.2315 -159.728 -59.2315 -314.988 -92.4359 -159.729 -92.4358 13.5135 GPRESSURE: 1558200 -5.80898 -118.23 -81.1065 -83.8651 -311.576 -93.9777 -38.19 -168.998 -48.2507 PRESSAVG: 1558200 36.8642 5.83168 -24.3991 5.83166 -71.7703 -61.6124 -24.399 -61.6124 -6.34628 GPRESSAVG: 1558200 35.5432 3.57216 -25.5849 6.8978 -69.6377 -60.2801 -26.1852 -63.8659 -6.67912 TIMING: 1558200 CPU: 4959.86, 0.00316145/step Wall: 4959.86, 0.00316145/step, 3.02252 hours remaining, 239.027344 MB of memory in use. ENERGY: 1558200 3988.3648 20401.6192 14461.5624 240.9221 -203229.7852 2388.9128 0.0000 0.0000 52031.9790 -109716.4249 299.0285 -161748.4038 -109362.9982 299.0414 -147.6184 -121.8785 763622.9216 -13.7508 -13.5912 PRESSURE: 1558400 -39.9338 -112.857 -72.6706 -112.857 -135.653 133.537 -72.6709 133.537 -119.466 GPRESSURE: 1558400 13.5094 -149.234 -95.7145 -97.813 -148.924 210.887 -212.031 23.8171 -67.4866 PRESSAVG: 1558400 67.9007 -25.4499 23.5575 -25.4499 -106.9 -51.924 23.5575 -51.924 9.32093 GPRESSAVG: 1558400 69.1964 -25.6485 22.2177 -28.4113 -107.609 -52.9565 24.5591 -49.3715 8.61809 TIMING: 1558400 CPU: 4960.49, 0.00314989/step Wall: 4960.49, 0.00314989/step, 3.0113 hours remaining, 239.027344 MB of memory in use. ENERGY: 1558400 4008.5538 20454.2347 14473.6346 247.9924 -203397.9134 2467.3905 0.0000 0.0000 52066.6678 -109679.4398 299.2279 -161746.1075 -109314.5502 298.6770 -98.3510 -67.6338 761989.4480 -9.8929 -9.9315 PRESSURE: 1558600 -63.5645 -64.6518 -128.663 -64.6514 -161.769 27.7206 -128.663 27.7207 -132.051 GPRESSURE: 1558600 -45.9723 -57.6437 -66.8237 17.6937 -170.589 44.4406 -135.563 49.3868 -77.7159 PRESSAVG: 1558600 16.7341 -51.8307 -19.2599 -51.8307 -37.1611 4.09882 -19.2598 4.09874 -19.492 GPRESSAVG: 1558600 15.2521 -50.751 -16.9795 -52.1664 -37.1822 4.13104 -19.4338 1.02168 -18.644 TIMING: 1558600 CPU: 4961.12, 0.00315321/step Wall: 4961.12, 0.00315321/step, 3.0143 hours remaining, 239.027344 MB of memory in use. ENERGY: 1558600 4093.4670 20551.8495 14443.5820 244.8013 -203302.2500 2310.8604 0.0000 0.0000 52063.1485 -109594.5413 299.2076 -161657.6898 -109230.2912 298.8421 -119.1284 -98.0923 761189.4745 -13.3063 -13.5247 PRESSURE: 1558800 -197.347 -325.608 111.69 -325.608 26.3351 -70.1146 111.69 -70.1157 138.361 GPRESSURE: 1558800 -76.2887 -251.37 63.7865 -271.466 -12.9721 -105.783 135.303 -9.10976 150.451 PRESSAVG: 1558800 -0.384437 -29.0626 -30.3374 -29.0626 -0.970251 -10.4536 -30.3374 -10.4536 10.9178 GPRESSAVG: 1558800 1.20653 -27.5648 -30.6102 -28.8161 -2.40514 -9.60381 -30.2616 -8.96954 10.5844 TIMING: 1558800 CPU: 4961.76, 0.00316024/step Wall: 4961.76, 0.00316024/step, 3.02084 hours remaining, 239.027344 MB of memory in use. ENERGY: 1558800 3967.7402 20553.3659 14504.7771 219.3205 -203627.9664 2899.1442 0.0000 0.0000 51829.9191 -109653.6993 297.8673 -161483.6184 -109291.9804 298.6706 -10.8838 20.3967 760523.2233 3.1877 3.1286 PRESSURE: 1559000 -205.647 -27.5163 150.659 -27.5152 -270.316 209.212 150.659 209.211 -342.816 GPRESSURE: 1559000 -236.464 1.65861 174.207 -124.381 -152.829 97.7956 26.3869 178.919 -355.572 PRESSAVG: 1559000 28.6794 -89.0451 -24.9434 -89.045 0.759408 5.75643 -24.9434 5.75639 4.99066 GPRESSAVG: 1559000 27.7831 -89.5972 -24.5076 -89.2668 1.99746 5.38861 -26.708 6.42313 4.58056 TIMING: 1559000 CPU: 4962.39, 0.00316581/step Wall: 4962.39, 0.00316581/step, 3.02599 hours remaining, 239.027344 MB of memory in use. ENERGY: 1559000 4080.8487 20478.7712 14412.0022 227.6953 -203311.1559 2495.0251 0.0000 0.0000 52120.7520 -109496.0614 299.5387 -161616.8134 -109133.4501 299.1766 -272.9261 -248.2883 760817.3079 11.4765 11.4537 PRESSURE: 1559200 -204.655 294.83 9.73394 294.83 165.798 2.83347 9.7346 2.83412 88.3845 GPRESSURE: 1559200 -230.388 171.36 13 343.779 293.728 112.702 72.0821 -75.7659 89.8954 PRESSAVG: 1559200 -12.8902 -27.8385 -28.6518 -27.8386 9.22071 41.1075 -28.6518 41.1076 8.12251 GPRESSAVG: 1559200 -11.3358 -28.7683 -27.7805 -27.0273 8.64325 41.8129 -27.2944 40.9114 7.87898 TIMING: 1559200 CPU: 4963.02, 0.00316443/step Wall: 4963.02, 0.00316443/step, 3.02449 hours remaining, 239.027344 MB of memory in use. ENERGY: 1559200 4001.3923 20565.1702 14469.0604 272.1625 -203612.6052 2944.3241 0.0000 0.0000 51869.3480 -109491.1479 298.0939 -161360.4959 -109138.9433 299.3966 16.5094 51.0787 761318.6525 1.4843 1.7288 PRESSURE: 1559400 -256.98 -7.54719 40.6622 -7.54765 -317.526 165.219 40.6625 165.218 -457.126 GPRESSURE: 1559400 -223.616 124.592 -51.5014 -23.4815 -332.4 166.871 22.3755 201.395 -392.769 PRESSAVG: 1559400 67.3585 -1.16197 -15.8145 -1.16195 -53.5015 27.73 -15.8145 27.73 -9.39689 GPRESSAVG: 1559400 66.5276 0.169876 -15.7087 -0.374283 -53.0311 26.0324 -15.692 26.8042 -9.29064 TIMING: 1559400 CPU: 4963.65, 0.00315292/step Wall: 4963.65, 0.00315292/step, 3.01331 hours remaining, 239.027344 MB of memory in use. ENERGY: 1559400 3992.6011 20434.1035 14491.7899 239.6622 -203413.6892 2615.9316 0.0000 0.0000 52014.6205 -109624.9804 298.9287 -161639.6009 -109267.7143 299.1942 -343.8773 -316.2618 762433.7396 1.4867 1.4020 PRESSURE: 1559600 174.942 -66.899 -55.6999 -66.8987 -73.3571 98.6095 -55.7003 98.6099 103.062 GPRESSURE: 1559600 148.55 -106.725 -55.3639 -38.5482 -45.1265 152.423 4.76328 240.938 168.317 PRESSAVG: 1559600 78.2743 -71.6248 21.4975 -71.6247 -48.4507 34.6936 21.4975 34.6937 -12.588 GPRESSAVG: 1559600 77.7562 -71.561 21.8077 -72.8018 -48.547 35.8181 20.6631 34.7135 -11.8819 TIMING: 1559600 CPU: 4964.29, 0.00316002/step Wall: 4964.29, 0.00316002/step, 3.01993 hours remaining, 239.027344 MB of memory in use. ENERGY: 1559600 4020.6576 20485.9558 14422.6032 252.4488 -203750.2645 2884.1412 0.0000 0.0000 51990.8395 -109693.6184 298.7921 -161684.4579 -109335.0139 298.8059 68.2155 90.5800 760849.6147 5.7452 5.7758 PRESSURE: 1559800 3.14039 111.889 30.5302 111.89 89.9382 -271.587 30.5306 -271.586 -0.623645 GPRESSURE: 1559800 16.375 110.56 44.4475 157.99 124.913 -245.125 34.2237 -308.641 34.0571 PRESSAVG: 1559800 84.8534 -24.902 -12.8126 -24.902 -63.6131 1.74996 -12.8126 1.75001 -5.35262 GPRESSAVG: 1559800 85.7659 -26.0999 -11.8907 -22.9812 -64.0289 0.173566 -14.1566 2.00087 -5.14657 TIMING: 1559800 CPU: 4964.92, 0.00316693/step Wall: 4964.92, 0.00316693/step, 3.02636 hours remaining, 239.027344 MB of memory in use. ENERGY: 1559800 3995.6352 20400.0275 14509.9254 245.3204 -203763.8899 2825.5398 0.0000 0.0000 51959.1205 -109828.3212 298.6098 -161787.4417 -109454.8874 298.7904 30.8183 58.4483 759411.2353 5.2959 5.5301 PRESSURE: 1560000 104.222 -88.5355 94.1452 -88.5347 39.1219 -269.05 94.1455 -269.049 73.45 GPRESSURE: 1560000 176.987 -157.83 184.341 74.8312 6.84111 -227.658 46.8163 -185.793 115.029 PRESSAVG: 1560000 103.333 4.93066 51.4953 4.9307 -52.2663 -28.2347 51.4953 -28.2347 12.7694 GPRESSAVG: 1560000 102.431 4.85454 50.9893 4.901 -51.4696 -24.8851 54.2903 -27.7338 13.1411 TIMING: 1560000 CPU: 4965.55, 0.0031639/step Wall: 4965.55, 0.0031639/step, 3.02328 hours remaining, 239.027344 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: 1560000 3983.3380 20505.6866 14549.9588 243.7292 -203812.2116 2714.5338 0.0000 0.0000 51972.9336 -109842.0315 298.6892 -161814.9651 -109483.9989 298.9031 72.2647 99.6192 759586.4384 21.2788 21.3675 PRESSURE: 1560200 57.481 57.7035 2.83756 57.7043 -137.639 64.536 2.83664 64.5366 41.375 GPRESSURE: 1560200 105.847 53.8058 90.7223 -127.751 -157.178 85.3483 120.724 -65.0103 95.6288 PRESSAVG: 1560200 53.1875 -38.6842 76.4417 -38.6842 -104.089 -3.21966 76.4417 -3.21969 16.3563 GPRESSAVG: 1560200 53.9275 -38.0313 76.9095 -38.7474 -104.517 -3.52856 75.084 -4.2761 15.3335 TIMING: 1560200 CPU: 4966.18, 0.00316278/step Wall: 4966.18, 0.00316278/step, 3.02204 hours remaining, 239.027344 MB of memory in use. ENERGY: 1560200 3946.7333 20586.8594 14532.7645 232.2504 -203774.8605 2828.6298 0.0000 0.0000 51987.3616 -109660.2615 298.7721 -161647.6231 -109291.6650 298.6740 -12.9277 14.7662 760579.2707 -11.5150 -11.7518 LDB: ============= START OF LOAD BALANCING ============== 4978.64 LDB: ============== END OF LOAD BALANCING =============== 4978.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.64 LDB: ============= START OF LOAD BALANCING ============== 4978.95 LDB: Largest compute 7060 load 0.033707 is 17.3% of average load 0.195280 LDB: Average compute 0.004428 is 2.3% of average load 0.195280 LDB: TIME 4978.96 LOAD: AVG 0.19528 MAX 0.213122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.449 MB LDB: TIME 4978.96 LOAD: AVG 0.19528 MAX 0.213122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: TIME 4978.96 LOAD: AVG 0.19528 MAX 0.213122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: ============== END OF LOAD BALANCING =============== 4978.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.96 PRESSURE: 1560400 126.565 -126.013 235.59 -126.011 76.2805 144.572 235.59 144.572 -349.338 GPRESSURE: 1560400 201.252 -210.235 172.887 -200.2 48.4322 168.673 180.089 49.9566 -317.156 PRESSAVG: 1560400 -31.8638 -62.1162 -21.9544 -62.1162 37.1331 -13.2745 -21.9544 -13.2745 -38.2075 GPRESSAVG: 1560400 -31.4851 -62.0198 -26.2484 -62.3161 37.0625 -14.4204 -20.6431 -13.1248 -38.288 TIMING: 1560400 CPU: 4966.83, 0.00322393/step Wall: 4966.83, 0.00322393/step, 3.08029 hours remaining, 236.937500 MB of memory in use. ENERGY: 1560400 4025.5998 20482.2476 14491.7034 262.8118 -203653.6205 2721.1983 0.0000 0.0000 52119.2844 -109550.7753 299.5302 -161670.0597 -109183.2491 299.4760 -48.8310 -22.4906 761084.0094 -10.9794 -10.9035 PRESSURE: 1560600 -48.7768 -69.883 56.7485 -69.8831 -533.409 -21.1536 56.7479 -21.1539 -217.677 GPRESSURE: 1560600 -28.2175 -44.0316 38.8883 -46.2216 -435.065 -44.9967 100.487 74.7546 -246.468 PRESSAVG: 1560600 33.4901 -43.0659 -38.4406 -43.066 -66.8699 -31.7604 -38.4407 -31.7604 -15.8576 GPRESSAVG: 1560600 32.1154 -46.0572 -37.5101 -41.7254 -66.2334 -31.8484 -37.7195 -31.6737 -15.4248 TIMING: 1560600 CPU: 4967.46, 0.00313954/step Wall: 4967.46, 0.00313954/step, 2.99949 hours remaining, 236.937500 MB of memory in use. ENERGY: 1560600 4095.2674 20546.5971 14538.4049 248.0928 -203453.7217 2492.4968 0.0000 0.0000 52050.3663 -109482.4965 299.1342 -161532.8627 -109122.0442 299.5989 -266.6209 -236.5837 760964.2443 -16.4125 -16.5143 PRESSURE: 1560800 158.321 210.592 65.6215 210.593 -14.6302 77.9297 65.6216 77.9295 177.716 GPRESSURE: 1560800 148.389 124.424 105.554 186.028 106.954 121.147 105.291 205.062 154.287 PRESSAVG: 1560800 60.0886 -23.3602 -41.1502 -23.3601 -79.8876 39.3913 -41.1502 39.3914 1.30871 GPRESSAVG: 1560800 60.7929 -20.1112 -39.4779 -24.6957 -80.3753 39.462 -42.8176 40.3854 0.971049 TIMING: 1560800 CPU: 4968.09, 0.0031428/step Wall: 4968.09, 0.0031428/step, 3.00243 hours remaining, 236.937500 MB of memory in use. ENERGY: 1560800 4033.1916 20577.1999 14525.7083 241.2772 -203578.3510 2926.7850 0.0000 0.0000 51894.0001 -109380.1889 298.2355 -161274.1890 -109019.1411 299.2037 107.1354 136.5436 761583.5032 -6.1634 -6.2038 PRESSURE: 1561000 -237.866 -158.823 -65.1055 -158.823 -94.8984 252.301 -65.1058 252.301 -170.399 GPRESSURE: 1561000 -278.886 -171.328 -79.3063 -51.75 -58.0131 342.153 -64.0144 169.007 -91.1575 PRESSAVG: 1561000 -9.70487 11.0314 -6.45501 11.0314 16.4224 43.805 -6.45503 43.805 -7.42152 GPRESSAVG: 1561000 -9.46807 11.512 -7.96829 10.7899 15.9121 45.1156 -6.87802 41.7619 -7.13181 TIMING: 1561000 CPU: 4968.71, 0.00314254/step Wall: 4968.71, 0.00314254/step, 3.002 hours remaining, 236.937500 MB of memory in use. ENERGY: 1561000 3965.7709 20695.5565 14437.8245 242.3524 -203537.1769 2463.3507 0.0000 0.0000 52198.0820 -109534.2398 299.9831 -161732.3218 -109169.3990 299.6247 -167.7214 -142.6856 760974.6745 -0.2347 -0.2293 PRESSURE: 1561200 119.15 -8.52935 -23.2074 -8.53029 25.8902 -42.6709 -23.2074 -42.6696 158.129 GPRESSURE: 1561200 170.427 5.07273 39.2331 -91.9214 22.1068 -2.41779 -28.8273 -50.3401 206.51 PRESSAVG: 1561200 -10.6263 -47.4818 -48.0533 -47.4818 -15.3092 3.57162 -48.0533 3.5716 17.881 GPRESSAVG: 1561200 -11.5074 -47.5228 -46.4712 -47.7509 -15.9331 2.23383 -46.4821 4.03271 19.0039 TIMING: 1561200 CPU: 4969.34, 0.00314939/step Wall: 4969.34, 0.00314939/step, 3.00837 hours remaining, 236.937500 MB of memory in use. ENERGY: 1561200 4058.4618 20549.5672 14466.2822 258.9297 -203434.7021 2651.5795 0.0000 0.0000 52198.5142 -109251.3674 299.9856 -161449.8817 -108887.7874 299.8022 101.0565 133.0144 760351.4233 -2.6848 -2.8122 PRESSURE: 1561400 105.696 -99.3894 59.0298 -99.3903 250.687 48.743 59.0298 48.743 -6.71936 GPRESSURE: 1561400 206.159 -82.8031 49.6501 -197.473 203.419 115.51 -34.2758 5.93233 31.8377 PRESSAVG: 1561400 21.9746 -91.8257 -32.2367 -91.8256 -29.443 15.0656 -32.2366 15.0656 -15.3231 GPRESSAVG: 1561400 21.2414 -91.9957 -33.2665 -93.1153 -27.7571 14.0736 -32.7882 15.4198 -15.7663 TIMING: 1561400 CPU: 4969.98, 0.00316429/step Wall: 4969.98, 0.0031643/step, 3.02243 hours remaining, 236.937500 MB of memory in use. ENERGY: 1561400 4031.5431 20786.0266 14460.8520 241.1769 -203447.1489 2783.5862 0.0000 0.0000 51851.1824 -109292.7817 297.9895 -161143.9641 -108944.5308 299.5482 116.5545 147.1385 761375.8531 -7.5971 -7.4273 PRESSURE: 1561600 136.493 -87.4251 52.2382 -87.4261 -385.107 56.1022 52.2372 56.1024 412.785 GPRESSURE: 1561600 152.195 -146.747 -92.8246 -44.7349 -302.192 46.9549 24.5259 -28.6209 409.556 PRESSAVG: 1561600 4.64033 11.9749 30.8089 11.9749 4.35136 0.0962571 30.8089 0.0962904 16.3626 GPRESSAVG: 1561600 6.63927 13.0626 29.0211 13.7874 3.65152 -0.337113 30.8766 1.62814 15.6169 TIMING: 1561600 CPU: 4970.61, 0.00315938/step Wall: 4970.61, 0.00315938/step, 3.01756 hours remaining, 236.937500 MB of memory in use. ENERGY: 1561600 3925.2172 20523.7703 14531.2753 240.1326 -203325.1229 2626.4010 0.0000 0.0000 52333.0342 -109145.2924 300.7587 -161478.3266 -108782.4194 299.5116 54.7237 86.5196 761359.8550 8.4514 8.6359 PRESSURE: 1561800 381.21 -70.871 58.5667 -70.8707 214.584 120.947 58.5671 120.947 -163.973 GPRESSURE: 1561800 426.074 -74.5954 152.23 -90.4119 250.521 79.699 125.485 221.874 -136.606 PRESSAVG: 1561800 -23.434 -35.3103 -9.91972 -35.3103 -36.0426 -32.0708 -9.91972 -32.0709 -20.1798 GPRESSAVG: 1561800 -23.6972 -38.4858 -7.54546 -35.166 -36.4325 -31.0714 -10.3777 -34.2773 -20.0254 TIMING: 1561800 CPU: 4971.24, 0.00315136/step Wall: 4971.24, 0.00315136/step, 3.00972 hours remaining, 236.937500 MB of memory in use. ENERGY: 1561800 3966.8100 20571.7229 14498.8067 237.8072 -203558.3915 2747.5769 0.0000 0.0000 52219.4004 -109316.2674 300.1056 -161535.6678 -108947.9055 300.1119 143.9404 179.9962 760258.5408 -26.5521 -26.7184 PRESSURE: 1562000 25.0195 -72.7463 -73.4769 -72.7458 -478.13 -90.8494 -73.4774 -90.8496 -327.488 GPRESSURE: 1562000 53.6592 -88.6394 -142.11 -64.0643 -408.43 -65.9408 -34.8036 -213.602 -333.256 PRESSAVG: 1562000 83.9181 -79.4806 -9.1351 -79.4806 -80.6155 -7.02807 -9.13512 -7.02803 -2.95737 GPRESSAVG: 1562000 83.6401 -78.8744 -9.67076 -78.8935 -80.4585 -6.99457 -7.68399 -6.0551 -2.90132 TIMING: 1562000 CPU: 4971.87, 0.00316791/step Wall: 4971.87, 0.00316791/step, 3.02536 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1562000 3989.6615 20553.7933 14492.6085 232.3069 -203320.3101 2415.7157 0.0000 0.0000 52159.1534 -109477.0709 299.7594 -161636.2243 -109110.4907 299.7688 -260.1995 -229.3424 760674.1400 0.1151 0.0934 PRESSURE: 1562200 36.7517 91.6876 77.2965 91.6877 156.074 63.658 77.2962 63.658 -215.667 GPRESSURE: 1562200 35.5089 116.671 33.1251 122.688 167.972 -52.412 -37.9797 56.0709 -158.102 PRESSAVG: 1562200 5.14142 -14.5894 -4.12801 -14.5894 -15.3182 -7.09883 -4.12807 -7.09879 -4.84003 GPRESSAVG: 1562200 5.69523 -14.7583 -5.51438 -14.9684 -15.8836 -7.99722 -3.20131 -7.98343 -4.67592 TIMING: 1562200 CPU: 4972.51, 0.00316841/step Wall: 4972.51, 0.00316841/step, 3.02565 hours remaining, 236.937500 MB of memory in use. ENERGY: 1562200 3976.0981 20616.8653 14417.4539 245.7445 -203286.3511 2343.8941 0.0000 0.0000 52069.6827 -109616.6124 299.2452 -161686.2951 -109255.0304 299.6105 -7.6140 15.1261 761995.4353 -5.0056 -4.9548 PRESSURE: 1562400 180.158 -81.1393 42.7506 -81.1404 137.506 7.57775 42.751 7.57738 -78.0745 GPRESSURE: 1562400 281.957 -110.019 63.6813 -1.7892 110.034 -22.1653 190.095 17.611 -60.2774 PRESSAVG: 1562400 26.5997 -13.5553 -6.1042 -13.5553 -55.6971 5.80052 -6.10418 5.80072 -17.5424 GPRESSAVG: 1562400 25.5636 -12.2153 -5.31904 -12.9936 -53.8249 6.38507 -8.12829 5.03337 -17.9141 TIMING: 1562400 CPU: 4973.14, 0.00317672/step Wall: 4973.14, 0.00317672/step, 3.03342 hours remaining, 236.937500 MB of memory in use. ENERGY: 1562400 4060.2539 20385.4092 14457.3335 248.6485 -203432.3213 2582.3074 0.0000 0.0000 52076.2941 -109622.0748 299.2832 -161698.3688 -109260.8923 299.0267 79.8633 110.5712 761170.1510 -15.5466 -15.3918 PRESSURE: 1562600 -141.521 -36.9314 -51.4552 -36.9325 370.576 -182.056 -51.456 -182.057 60.9299 GPRESSURE: 1562600 -151.554 -52.5357 -65.5542 -90.9673 476.843 -198.352 103.627 -211.696 76.8309 PRESSAVG: 1562600 44.1774 -12.3303 -5.25239 -12.3303 -16.1298 53.5276 -5.25241 53.5276 10.0671 GPRESSAVG: 1562600 45.44 -13.806 -4.14704 -13.8827 -17.1589 53.7733 -3.11775 52.9205 9.91696 TIMING: 1562600 CPU: 4973.77, 0.00316224/step Wall: 4973.77, 0.00316224/step, 3.01941 hours remaining, 236.937500 MB of memory in use. ENERGY: 1562600 4055.1753 20338.8738 14494.4521 237.1412 -203494.5049 2679.9528 0.0000 0.0000 51914.6431 -109774.2666 298.3542 -161688.9097 -109406.6452 299.1263 96.6615 134.0402 760943.3005 12.7049 12.7327 PRESSURE: 1562800 318.541 -100.887 -35.6398 -100.887 -94.4491 -107.723 -35.6405 -107.724 468.098 GPRESSURE: 1562800 357 -48.7031 -46.4799 -31.2889 -65.5471 -76.2748 -35.9718 -71.627 485.964 PRESSAVG: 1562800 68.7724 -24.7585 -60.8813 -24.7585 -29.0279 56.6142 -60.8813 56.6142 15.9219 GPRESSAVG: 1562800 69.0564 -23.2357 -62.1122 -24.2669 -28.9384 56.2132 -59.6687 58.3063 15.5986 TIMING: 1562800 CPU: 4974.41, 0.00317235/step Wall: 4974.41, 0.00317235/step, 3.02889 hours remaining, 236.937500 MB of memory in use. ENERGY: 1562800 4005.8713 20399.5023 14419.1132 255.9081 -203820.6540 2825.5177 0.0000 0.0000 52269.1809 -109645.5606 300.3917 -161914.7415 -109288.1344 298.7392 230.7298 259.1390 759665.0270 18.5555 18.5722 PRESSURE: 1563000 -88.2322 -84.343 126.474 -84.3441 -330.16 -140.843 126.474 -140.842 -498.177 GPRESSURE: 1563000 -55.5854 -65.0335 201.516 -64.132 -280.318 -79.9526 107.06 -69.642 -495.423 PRESSAVG: 1563000 71.6383 -25.1152 17.2892 -25.1152 -60.6068 10.9598 17.2892 10.9597 -20.9344 GPRESSAVG: 1563000 71.3246 -25.4064 17.7994 -25.3937 -61.1882 11.4599 15.9926 10.4817 -19.7187 TIMING: 1563000 CPU: 4975.05, 0.00318591/step Wall: 4975.05, 0.00318591/step, 3.04166 hours remaining, 236.937500 MB of memory in use. ENERGY: 1563000 3974.0666 20441.2025 14444.9234 223.7414 -202906.8123 2342.8957 0.0000 0.0000 51844.2520 -109635.7308 297.9496 -161479.9828 -109268.6246 299.1619 -305.5232 -277.1086 760897.3048 -3.3010 -3.1941 PRESSURE: 1563200 -73.6458 -31.9932 50.93 -31.9934 179.619 110.354 50.929 110.353 241.191 GPRESSURE: 1563200 75.1775 -69.5379 53.8062 -60.3745 109.218 146.959 -12.2752 108.662 253.194 PRESSAVG: 1563200 57.3134 -50.5446 -40.4704 -50.5447 -48.5987 8.23039 -40.4704 8.23037 -13.3359 GPRESSAVG: 1563200 57.9803 -50.0894 -39.4791 -51.2417 -48.3534 7.35836 -43.5921 8.95501 -14.3927 TIMING: 1563200 CPU: 4975.68, 0.00317575/step Wall: 4975.68, 0.00317575/step, 3.03179 hours remaining, 236.937500 MB of memory in use. ENERGY: 1563200 3887.0778 20287.2651 14455.6755 242.5564 -203108.4721 2571.8303 0.0000 0.0000 52016.2172 -109647.8497 298.9379 -161664.0670 -109278.9922 298.8581 115.7213 145.8632 759068.5196 -1.5404 -1.5886 PRESSURE: 1563400 140.4 -73.2191 -28.6021 -73.22 -169.639 121.441 -28.6016 121.442 176.04 GPRESSURE: 1563400 157.048 -233.047 5.77766 -206.254 -183.9 128.421 28.1628 92.466 261.555 PRESSAVG: 1563400 80.8595 -13.5403 -46.5913 -13.5403 -78.8143 -13.6982 -46.5913 -13.6981 10.9763 GPRESSAVG: 1563400 78.3552 -14.5837 -46.6982 -12.2691 -78.5025 -13.0753 -43.9762 -15.9519 12.7703 TIMING: 1563400 CPU: 4976.32, 0.00317737/step Wall: 4976.32, 0.00317737/step, 3.03315 hours remaining, 236.937500 MB of memory in use. ENERGY: 1563400 3949.5267 20435.9465 14443.4962 239.6048 -203209.2220 2495.0254 0.0000 0.0000 52159.6828 -109485.9397 299.7624 -161645.6224 -109119.8886 299.1630 48.9336 78.2346 759847.0766 4.3405 4.2076 PRESSURE: 1563600 133.921 64.5503 222.411 64.5505 205.93 -115.821 222.412 -115.823 -623.236 GPRESSURE: 1563600 123.735 0.685182 224.985 66.0811 253.521 -101.099 179.07 -5.78719 -613.244 PRESSAVG: 1563600 35.6419 15.4193 -18.34 15.4192 -49.2367 -28.4131 -18.34 -28.4131 12.8066 GPRESSAVG: 1563600 37.7013 14.8179 -20.7572 14.448 -50.1231 -28.3623 -18.6009 -25.6403 11.0448 TIMING: 1563600 CPU: 4976.95, 0.00316132/step Wall: 4976.95, 0.00316132/step, 3.01765 hours remaining, 236.937500 MB of memory in use. ENERGY: 1563600 4063.4164 20476.0876 14442.3438 263.1777 -203580.4776 2699.6700 0.0000 0.0000 52060.6741 -109575.1080 299.1934 -161635.7821 -109220.7130 299.1195 -94.4613 -78.6625 761312.6452 -0.2627 -0.4590 PRESSURE: 1563800 67.9726 -257.085 -82.8278 -257.085 59.5997 -55.5479 -82.8276 -55.5477 -417.065 GPRESSURE: 1563800 228.264 -189.817 7.40658 -186.235 93.6238 -166.787 -35.3367 -163.275 -506.732 PRESSAVG: 1563800 46.1336 6.09532 9.47586 6.09534 -20.2526 1.02739 9.47595 1.02738 20.1183 GPRESSAVG: 1563800 46.3791 6.73269 12.2368 9.04521 -19.715 1.1687 8.6597 -0.36373 19.7759 TIMING: 1563800 CPU: 4977.59, 0.0031994/step Wall: 4977.59, 0.0031994/step, 3.05383 hours remaining, 236.937500 MB of memory in use. ENERGY: 1563800 4022.0186 20361.2514 14433.1494 242.2174 -203404.0689 2474.0617 0.0000 0.0000 52118.6186 -109752.7518 299.5264 -161871.3704 -109387.0043 298.7798 -96.4975 -61.6147 759333.5138 15.3331 15.4800 PRESSURE: 1564000 33.0426 -83.438 -43.8542 -83.4371 301.647 81.2933 -43.8541 81.2926 32.2544 GPRESSURE: 1564000 48.4936 -151.218 1.26516 -43.2683 332.802 25.1852 -99.7073 63.4895 67.375 PRESSAVG: 1564000 -15.3821 34.9047 -16.2914 34.9047 36.6171 41.585 -16.2914 41.5851 5.6289 GPRESSAVG: 1564000 -15.7648 32.8782 -17.2633 34.3151 35.5844 40.2045 -15.8455 40.5648 6.88319 TIMING: 1564000 CPU: 4978.22, 0.00318037/step Wall: 4978.22, 0.00318037/step, 3.03548 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1564000 3945.1398 20449.8576 14399.1084 233.2996 -203515.3982 2577.9223 0.0000 0.0000 52072.7016 -109837.3688 299.2625 -161910.0704 -109473.8502 298.6438 122.3145 149.5568 759477.7632 8.9546 8.9009 PRESSURE: 1564200 58.8066 -174.84 -20.3887 -174.84 -72.4762 27.1443 -20.3893 27.1443 -81.4492 GPRESSURE: 1564200 123.024 -116.802 43.4586 -216.937 -84.4641 82.5112 -18.8546 -68.0745 -52.6648 PRESSAVG: 1564200 24.4847 -34.4169 6.71009 -34.4169 -23.4817 4.23125 6.71011 4.23119 29.631 GPRESSAVG: 1564200 24.6179 -31.5592 6.80775 -35.3878 -21.9345 6.00167 6.27215 4.89241 28.2295 TIMING: 1564200 CPU: 4978.86, 0.00318547/step Wall: 4978.86, 0.00318547/step, 3.04018 hours remaining, 236.937500 MB of memory in use. ENERGY: 1564200 3926.1067 20650.3344 14513.9034 264.9516 -203305.3709 2398.5162 0.0000 0.0000 51826.1942 -109725.3643 297.8459 -161551.5585 -109373.2035 298.8214 -31.7063 -4.7016 758944.8127 10.2113 10.3043 LDB: ============= START OF LOAD BALANCING ============== 4991.32 LDB: ============== END OF LOAD BALANCING =============== 4991.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.32 LDB: ============= START OF LOAD BALANCING ============== 4991.64 LDB: Largest compute 7060 load 0.036672 is 18.8% of average load 0.195190 LDB: Average compute 0.004412 is 2.3% of average load 0.195190 LDB: TIME 4991.64 LOAD: AVG 0.19519 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.961 MB LDB: TIME 4991.64 LOAD: AVG 0.19519 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: TIME 4991.64 LOAD: AVG 0.19519 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.961 MB LDB: ============== END OF LOAD BALANCING =============== 4991.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4991.65 PRESSURE: 1564400 -133.845 -133.603 -29.5303 -133.603 404.864 -101.742 -29.5302 -101.741 15.785 GPRESSURE: 1564400 -16.801 1.38209 7.36 -141.464 373.717 -93.2901 54.126 -51.1737 7.15051 PRESSAVG: 1564400 40.3753 -52.5934 -16.5513 -52.5934 -0.512789 -6.5074 -16.5513 -6.50731 7.70379 GPRESSAVG: 1564400 41.719 -52.9433 -16.5765 -51.7749 -1.42345 -5.97237 -15.7297 -4.54101 7.24977 TIMING: 1564400 CPU: 4979.51, 0.00326693/step Wall: 4979.51, 0.00326693/step, 3.11774 hours remaining, 237.449219 MB of memory in use. ENERGY: 1564400 4057.3862 20486.4932 14469.2112 242.2671 -203677.1128 2822.2117 0.0000 0.0000 52097.1872 -109502.3564 299.4033 -161599.5435 -109150.6005 299.2469 95.6015 121.3555 759715.4751 15.8554 15.8484 PRESSURE: 1564600 -85.1328 -48.956 -392.804 -48.9567 103.757 128.942 -392.805 128.943 177.183 GPRESSURE: 1564600 -61.2801 -29.108 -441.627 -7.18611 108.493 100.673 -359.229 20.5945 239.128 PRESSAVG: 1564600 19.8822 -15.9864 -20.1382 -15.9864 -2.34023 -0.969017 -20.1382 -0.969076 9.7931 GPRESSAVG: 1564600 17.9839 -16.6613 -20.4476 -17.377 -0.838664 -2.42746 -20.7469 -4.81776 10.7356 TIMING: 1564600 CPU: 4980.15, 0.00319913/step Wall: 4980.15, 0.00319913/step, 3.05286 hours remaining, 237.449219 MB of memory in use. ENERGY: 1564600 3939.2189 20554.8273 14435.7100 249.3606 -203314.8203 2475.1966 0.0000 0.0000 52063.9841 -109596.5230 299.2124 -161660.5071 -109236.0585 299.5923 65.2689 95.4471 760665.1368 9.1117 9.2936 PRESSURE: 1564800 27.3678 15.3803 19.626 15.3803 150.163 267.971 19.6252 267.971 57.3454 GPRESSURE: 1564800 136.78 -46.0342 27.8068 1.24191 81.4616 236.051 140.312 298.59 115.478 PRESSAVG: 1564800 0.531962 2.24054 -43.1868 2.24058 -32.7359 75.6159 -43.1868 75.616 12.5175 GPRESSAVG: 1564800 1.4351 1.37351 -44.2285 3.88715 -33.6955 77.0747 -43.126 78.1817 13.1977 TIMING: 1564800 CPU: 4980.79, 0.00318113/step Wall: 4980.79, 0.00318113/step, 3.0355 hours remaining, 237.449219 MB of memory in use. ENERGY: 1564800 3857.5222 20575.9299 14433.2041 257.1073 -203407.2501 2410.9182 0.0000 0.0000 52058.0624 -109814.5060 299.1784 -161872.5684 -109449.3720 298.4700 78.2919 111.2400 759167.2370 -6.5622 -6.3542 PRESSURE: 1565000 -234.127 2.66239 391.152 2.66287 -31.5751 -212.592 391.153 -212.593 -211.073 GPRESSURE: 1565000 -157.834 -17.0661 337.004 -65.9673 -27.9385 -229.469 312.782 -219.156 -203.462 PRESSAVG: 1565000 23.1494 2.79488 -5.26853 2.79486 -6.22027 23.9203 -5.26862 23.9204 -5.87082 GPRESSAVG: 1565000 23.4234 3.39763 -3.73767 1.58964 -6.2528 23.815 -5.56759 21.8748 -6.46582 TIMING: 1565000 CPU: 4981.43, 0.00318254/step Wall: 4981.43, 0.00318254/step, 3.03667 hours remaining, 237.449219 MB of memory in use. ENERGY: 1565000 3950.3955 20561.8107 14484.9174 245.0327 -203598.9243 2330.8720 0.0000 0.0000 52020.4077 -110005.4882 298.9620 -162025.8959 -109647.8018 298.7329 -158.9249 -129.7450 758170.9825 3.6861 3.5683 PRESSURE: 1565200 31.6811 -290.974 -289.201 -290.974 -442.231 -94.7686 -289.2 -94.7677 358.151 GPRESSURE: 1565200 35.8653 -285.448 -281.379 -193.634 -385.887 -97.5789 -325.116 -58.4499 393.91 PRESSAVG: 1565200 47.9972 -55.5721 -23.4554 -55.5721 -6.18698 -69.2456 -23.4553 -69.2456 -8.9992 GPRESSAVG: 1565200 49.1079 -55.7444 -24.9049 -53.3764 -6.36283 -68.1373 -23.8863 -68.1384 -9.72839 TIMING: 1565200 CPU: 4982.07, 0.00320968/step Wall: 4982.07, 0.00320968/step, 3.0624 hours remaining, 237.449219 MB of memory in use. ENERGY: 1565200 3969.6518 20404.3739 14475.4999 237.2187 -203250.5725 2386.5682 0.0000 0.0000 52065.8711 -109711.3889 299.2233 -161777.2600 -109349.0453 298.9303 -17.4662 14.6297 758736.7391 10.9370 11.0056 PRESSURE: 1565400 293.218 -264.604 -53.3271 -264.602 140.234 117.028 -53.3279 117.027 -197.278 GPRESSURE: 1565400 246.098 -170.639 -71.3017 -354.833 255.075 121.625 -71.5014 23.0672 -175.978 PRESSAVG: 1565400 -19.8795 -33.3096 -2.30051 -33.3095 36.9605 -9.30301 -2.30051 -9.30303 -1.04004 GPRESSAVG: 1565400 -21.3833 -30.9958 -2.14387 -35.3278 37.5892 -10.5867 -2.13539 -9.86303 0.1826 TIMING: 1565400 CPU: 4982.71, 0.00317877/step Wall: 4982.71, 0.00317877/step, 3.03273 hours remaining, 237.449219 MB of memory in use. ENERGY: 1565400 4000.0341 20495.8119 14437.8876 255.2187 -203484.7105 2476.4017 0.0000 0.0000 52260.3053 -109559.0512 300.3407 -161819.3565 -109203.2281 299.5868 78.7246 108.3984 756595.9897 5.3470 5.4628 PRESSURE: 1565600 -127.87 -121.69 -194.828 -121.691 160.741 -180.727 -194.828 -180.727 -59.4287 GPRESSURE: 1565600 -72.9909 -153.644 -177.127 43.2564 135.428 -132.46 -102.755 -166.145 -12.8631 PRESSAVG: 1565600 -28.3687 -43.0632 -9.80693 -43.0632 7.36512 -24.5651 -9.80692 -24.5652 3.21247 GPRESSAVG: 1565600 -28.1645 -46.1412 -9.51668 -42.3869 7.00589 -23.4127 -9.80537 -24.8623 2.80465 TIMING: 1565600 CPU: 4983.34, 0.00319042/step Wall: 4983.34, 0.00319042/step, 3.04366 hours remaining, 237.449219 MB of memory in use. ENERGY: 1565600 3979.9151 20553.7128 14473.8252 252.2284 -202980.1349 2124.3457 0.0000 0.0000 52242.5928 -109353.5148 300.2389 -161596.1076 -108990.5898 299.4331 -8.8528 16.5247 759858.3161 -5.9304 -6.1180 PRESSURE: 1565800 -181.888 -166.75 -29.1153 -166.749 -151.769 5.56501 -29.1158 5.56487 103.154 GPRESSURE: 1565800 -142.928 -131.988 -76.93 -86.9649 -47.7357 -108.482 -43.9924 25.4028 59.7241 PRESSAVG: 1565800 -44.6468 -24.462 5.88979 -24.462 34.4112 -9.1377 5.88975 -9.13771 -14.72 GPRESSAVG: 1565800 -44.0586 -24.3914 5.38365 -22.9472 34.4564 -10.1757 6.21631 -8.13475 -15.2472 TIMING: 1565800 CPU: 4983.99, 0.00321142/step Wall: 4983.99, 0.00321142/step, 3.06352 hours remaining, 237.449219 MB of memory in use. ENERGY: 1565800 3995.4225 20527.5415 14424.5442 228.1304 -203244.8270 2296.3554 0.0000 0.0000 52562.8787 -109209.9542 302.0796 -161772.8329 -108843.1181 299.7111 -76.8341 -43.6467 759176.1565 -8.3185 -8.2831 PRESSURE: 1566000 123.909 -60.9461 143.365 -60.9463 69.6643 -346.854 143.364 -346.853 -123.853 GPRESSURE: 1566000 169.617 -134.613 68.1632 28.1437 -10.3889 -348.152 195.591 -280.916 -3.51676 PRESSAVG: 1566000 -19.9328 -58.616 -29.7696 -58.6159 36.6347 -29.9156 -29.7697 -29.9156 -4.46577 GPRESSAVG: 1566000 -20.0893 -56.3992 -29.1971 -58.6528 36.6808 -29.805 -30.1532 -29.6869 -3.61132 TIMING: 1566000 CPU: 4984.62, 0.00318043/step Wall: 4984.62, 0.00318043/step, 3.03378 hours remaining, 237.449219 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: 1566000 4014.3467 20552.0958 14404.3152 229.5354 -203150.9259 2395.4813 0.0000 0.0000 52282.1617 -109272.9899 300.4663 -161555.1516 -108913.7214 300.0518 23.2401 51.9036 757147.9202 4.0787 4.3267 PRESSURE: 1566200 -56.1539 -33.8739 -6.99661 -33.8745 69.2675 -50.6013 -6.99732 -50.6014 288.296 GPRESSURE: 1566200 -66.6609 3.17612 -72.4692 -137.184 213.272 -96.5437 36.8347 -95.8034 244.934 PRESSAVG: 1566200 0.574394 -9.59215 15.0893 -9.5922 -31.8156 -7.67592 15.0892 -7.67594 20.6756 GPRESSAVG: 1566200 2.16854 -11.8556 13.9643 -10.2735 -32.2809 -7.70432 15.3754 -6.83818 20.1588 TIMING: 1566200 CPU: 4985.26, 0.00318895/step Wall: 4985.26, 0.00318895/step, 3.04173 hours remaining, 237.449219 MB of memory in use. ENERGY: 1566200 3971.6487 20473.5911 14484.3488 233.5944 -203032.0429 2431.2970 0.0000 0.0000 52183.5776 -109253.9853 299.8997 -161437.5629 -108893.2022 299.8073 100.4699 130.5150 757383.5140 -3.5219 -3.3179 PRESSURE: 1566400 58.2012 -41.4639 14.2273 -41.465 204.03 13.9245 14.2283 13.926 83.4538 GPRESSURE: 1566400 114.719 -5.85663 112.025 25.2824 307.263 -65.1994 -43.8489 97.304 6.21075 PRESSAVG: 1566400 33.9974 -68.086 -4.93305 -68.086 16.9079 -6.39482 -4.9331 -6.3948 3.88182 GPRESSAVG: 1566400 32.7468 -67.5637 -3.93284 -68.128 18.1499 -6.90771 -6.0939 -7.59524 3.7182 TIMING: 1566400 CPU: 4985.9, 0.00318264/step Wall: 4985.9, 0.00318264/step, 3.03553 hours remaining, 237.449219 MB of memory in use. ENERGY: 1566400 4004.4786 20632.1560 14455.6101 244.1112 -202774.5254 2095.8198 0.0000 0.0000 52029.7346 -109312.6150 299.0156 -161342.3496 -108954.6286 299.8701 115.2284 142.7310 760251.9551 18.2624 18.2050 PRESSURE: 1566600 92.5977 20.1577 86.9466 20.158 -238.021 145.354 86.9466 145.354 -508.943 GPRESSURE: 1566600 132.075 10.2702 207.665 -24.2615 -178.248 191.557 98.6004 191.492 -529.588 PRESSAVG: 1566600 7.28184 -18.0887 -2.43958 -18.0887 -33.2635 24.1306 -2.43958 24.1306 21.5767 GPRESSAVG: 1566600 8.65837 -17.7961 -2.91056 -17.952 -34.6264 24.9894 0.331962 23.9488 22.1308 TIMING: 1566600 CPU: 4986.53, 0.00317961/step Wall: 4986.53, 0.00317961/step, 3.03247 hours remaining, 237.449219 MB of memory in use. ENERGY: 1566600 4005.7567 20528.6380 14450.8159 253.4905 -202915.8987 2225.9319 0.0000 0.0000 51923.7566 -109527.5092 298.4065 -161451.2657 -109177.2197 299.4226 -218.1224 -191.9207 759694.5449 -1.4683 -1.2791 PRESSURE: 1566800 84.0667 44.9083 -157.805 44.9082 -63.3405 -142.941 -157.805 -142.942 18.8975 GPRESSURE: 1566800 106.519 0.117889 -189.077 30.2853 41.0721 -87.0413 -140.427 -70.6606 -37.2477 PRESSAVG: 1566800 0.306859 -19.0273 31.6803 -19.0273 -5.52921 1.69187 31.6803 1.69183 2.80367 GPRESSAVG: 1566800 0.196363 -19.8576 33.9231 -19.2436 -5.67565 1.27333 29.4365 1.07902 2.62014 TIMING: 1566800 CPU: 4987.17, 0.0031724/step Wall: 4987.17, 0.0031724/step, 3.02541 hours remaining, 237.449219 MB of memory in use. ENERGY: 1566800 4012.2318 20535.3230 14470.8038 235.4398 -203338.2148 2438.4247 0.0000 0.0000 52090.3090 -109555.6827 299.3637 -161645.9917 -109199.5970 299.6088 13.2079 36.7813 759102.2422 -0.8062 -0.9530 PRESSURE: 1567000 120.181 60.509 -199.885 60.5096 -158.061 69.1323 -199.886 69.1327 -239.395 GPRESSURE: 1567000 122.129 50.0221 -130.539 104.7 -49.408 75.2606 -172.778 61.4066 -269.649 PRESSAVG: 1567000 22.9119 12.3732 -60.8222 12.3732 -2.57786 -42.2666 -60.8223 -42.2666 -2.82647 GPRESSAVG: 1567000 22.1965 10.498 -60.724 12.2611 -1.62246 -42.6938 -60.7815 -41.605 -3.34922 TIMING: 1567000 CPU: 4987.8, 0.00319173/step Wall: 4987.8, 0.00319173/step, 3.04367 hours remaining, 237.449219 MB of memory in use. ENERGY: 1567000 4010.9754 20569.8976 14494.1762 262.3086 -203298.7591 2380.3991 0.0000 0.0000 51942.0143 -109638.9880 298.5115 -161581.0023 -109279.7809 299.1697 -92.4251 -65.6428 760370.6141 5.8359 5.7416 PRESSURE: 1567200 -340.896 -98.9509 88.7831 -98.951 88.2222 215.895 88.7831 215.896 -232.717 GPRESSURE: 1567200 -266.985 -152.531 1.72133 77.8961 84.0509 230.731 111.806 143.129 -205.035 PRESSAVG: 1567200 -65.2546 19.7383 18.3604 19.7383 -10.395 -19.1857 18.3604 -19.1857 -9.58342 GPRESSAVG: 1567200 -65.4637 21.8666 17.4097 18.7692 -10.8681 -19.2732 21.3187 -18.085 -9.30573 TIMING: 1567200 CPU: 4988.44, 0.00319949/step Wall: 4988.44, 0.00319949/step, 3.05089 hours remaining, 237.449219 MB of memory in use. ENERGY: 1567200 3915.2795 20506.8133 14397.2176 250.6781 -203142.7979 2229.6690 0.0000 0.0000 51914.2629 -109928.8775 298.3520 -161843.1404 -109554.8646 299.0187 -161.7971 -129.3230 759600.3935 -28.4110 -28.5458 PRESSURE: 1567400 265.275 61.6074 -168.884 61.6076 -6.90689 -25.3857 -168.886 -25.3847 758.229 GPRESSURE: 1567400 280.918 93.9394 -84.0461 168.851 108.861 -120.067 -198.364 -51.4164 707.262 PRESSAVG: 1567400 -7.73117 5.85604 -33.3091 5.85603 -23.2983 -19.1828 -33.3092 -19.1828 22.338 GPRESSAVG: 1567400 -7.60034 5.6007 -33.0976 4.98233 -23.316 -19.1726 -35.4014 -20.2471 22.1021 TIMING: 1567400 CPU: 4989.08, 0.00319286/step Wall: 4989.08, 0.00319286/step, 3.04439 hours remaining, 237.449219 MB of memory in use. ENERGY: 1567400 3954.4051 20584.5505 14496.6290 235.8863 -203798.0025 2619.8916 0.0000 0.0000 52035.3115 -109871.3285 299.0477 -161906.6400 -109518.1563 299.2421 338.8659 365.6803 756778.6739 -2.8971 -2.9381 PRESSURE: 1567600 17.8544 86.2757 -89.6503 86.2764 -82.9243 -1.8124 -89.6508 -1.81263 -144.019 GPRESSURE: 1567600 93.9677 148.11 -34.5233 185.332 -131.712 -67.2076 22.2226 -106.189 -95.5535 PRESSAVG: 1567600 25.8758 54.1074 -46.0967 54.1074 12.9904 -28.6926 -46.0967 -28.6926 16.9921 GPRESSAVG: 1567600 24.8039 53.5975 -46.2682 57.1387 12.2792 -29.1709 -45.9519 -27.7189 18.4679 TIMING: 1567600 CPU: 4989.72, 0.00317171/step Wall: 4989.72, 0.00317171/step, 3.02405 hours remaining, 237.449219 MB of memory in use. ENERGY: 1567600 3936.1045 20623.0977 14453.5312 264.4395 -203536.1736 2371.6654 0.0000 0.0000 52069.9159 -109817.4195 299.2465 -161887.3354 -109471.5334 299.0689 -69.6964 -44.4325 758417.7097 18.6194 18.5170 PRESSURE: 1567800 -23.8396 -91.3593 -108.229 -91.3592 50.1955 -184.613 -108.228 -184.613 266.803 GPRESSURE: 1567800 -81.1056 -44.0427 -35.6851 -69.9695 131.113 -252.848 -79.4864 -59.3094 339.452 PRESSAVG: 1567800 40.2138 -40.8457 4.87781 -40.8456 -71.2643 -16.0906 4.87776 -16.0907 21.1305 GPRESSAVG: 1567800 40.2116 -40.3942 4.08554 -42.5672 -71.187 -14.7497 6.27951 -17.4515 20.9217 TIMING: 1567800 CPU: 4990.35, 0.00316868/step Wall: 4990.35, 0.00316868/step, 3.02099 hours remaining, 237.449219 MB of memory in use. ENERGY: 1567800 3972.3692 20432.4134 14534.4675 264.3283 -203681.7805 2631.6025 0.0000 0.0000 52026.1181 -109820.4815 298.9948 -161846.5995 -109454.9831 298.9799 97.7196 129.8197 759506.5837 -3.3067 -3.3513 PRESSURE: 1568000 347.226 -161.362 -123.932 -161.361 -240.347 -168.439 -123.932 -168.438 281.392 GPRESSURE: 1568000 281.317 -90.2015 -220.19 -229.331 -118.319 -162.169 -20.3636 -136.809 311.896 PRESSAVG: 1568000 56.8308 -69.11 8.68037 -69.11 -25.7549 -71.355 8.68037 -71.3549 8.21161 GPRESSAVG: 1568000 57.4448 -68.4965 8.39077 -72.0766 -25.2678 -70.4578 8.47367 -69.3156 7.7308 TIMING: 1568000 CPU: 4990.98, 0.00316571/step Wall: 4990.98, 0.00316571/step, 3.01797 hours remaining, 237.449219 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: 1568000 4002.5714 20728.9257 14418.0643 252.3843 -203593.5515 2688.8575 0.0000 0.0000 51926.7190 -109576.0293 298.4236 -161502.7483 -109232.6402 299.4860 129.4238 158.2979 759642.8143 13.0959 13.3026 PRESSURE: 1568200 223.677 -164.899 -134.439 -164.899 379.572 66.7217 -134.439 66.7213 176.065 GPRESSURE: 1568200 300.829 -245.538 -108.904 -83.8735 340.878 121.486 -60.6717 -85.2132 203.539 PRESSAVG: 1568200 44.2968 -57.898 -1.01461 -57.898 -23.0979 1.61027 -1.01462 1.6102 15.1915 GPRESSAVG: 1568200 44.9297 -59.1367 -0.180849 -53.7288 -24.0202 0.961768 -1.48089 -1.51753 15.429 TIMING: 1568200 CPU: 4991.62, 0.0031722/step Wall: 4991.62, 0.0031722/step, 3.02398 hours remaining, 237.449219 MB of memory in use. ENERGY: 1568200 3873.5604 20497.6189 14480.0807 260.6905 -203757.2240 2612.0641 0.0000 0.0000 52175.2807 -109857.9288 299.8521 -162033.2095 -109488.4639 299.1806 259.7711 281.7489 758550.6620 12.1301 12.1128 LDB: ============= START OF LOAD BALANCING ============== 5004.07 LDB: ============== END OF LOAD BALANCING =============== 5004.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5004.07 LDB: ============= START OF LOAD BALANCING ============== 5004.39 LDB: Largest compute 7031 load 0.035481 is 18.2% of average load 0.195099 LDB: Average compute 0.004404 is 2.3% of average load 0.195099 LDB: TIME 5004.39 LOAD: AVG 0.195099 MAX 0.212821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.961 MB LDB: TIME 5004.39 LOAD: AVG 0.195099 MAX 0.212821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: TIME 5004.39 LOAD: AVG 0.195099 MAX 0.212821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.16 MB LDB: ============== END OF LOAD BALANCING =============== 5004.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5004.4 PRESSURE: 1568400 -177.176 -135.178 -51.2313 -135.176 -69.7409 -293.119 -51.2313 -293.119 -91.4721 GPRESSURE: 1568400 -154.489 -137.225 -77.5177 -125.233 -2.85648 -291.546 -110.67 -241.353 -83.4154 PRESSAVG: 1568400 71.8081 -34.3332 -10.7083 -34.3332 -68.0146 -12.4714 -10.7083 -12.4714 4.15823 GPRESSAVG: 1568400 70.8447 -34.4817 -11.1597 -35.0891 -67.125 -14.5402 -10.2429 -10.4335 4.27603 TIMING: 1568400 CPU: 4992.27, 0.00323692/step Wall: 4992.27, 0.00323692/step, 3.08551 hours remaining, 238.277344 MB of memory in use. ENERGY: 1568400 4016.4795 20470.0689 14510.8832 239.5061 -203521.4476 2512.7233 0.0000 0.0000 52107.8735 -109663.9131 299.4647 -161771.7866 -109301.8308 299.0768 -112.7964 -80.2538 757429.4992 2.6506 2.6653 PRESSURE: 1568600 6.57964 -144.169 -192.512 -144.169 -216.805 -55.2809 -192.512 -55.2804 54.1262 GPRESSURE: 1568600 -118.606 -229.347 -190.167 -190.43 11.6072 59.8235 -193.441 -159.659 39.2133 PRESSAVG: 1568600 53.7721 -41.9836 25.1467 -41.9835 -12.0292 40.6123 25.1468 40.6123 10.621 GPRESSAVG: 1568600 52.4718 -42.1405 23.5674 -43.717 -10.601 43.4075 24.9829 40.3761 11.245 TIMING: 1568600 CPU: 4992.9, 0.0031809/step Wall: 4992.9, 0.0031809/step, 3.03193 hours remaining, 238.277344 MB of memory in use. ENERGY: 1568600 4035.3665 20579.7994 14473.2558 251.8878 -203454.2515 2391.4702 0.0000 0.0000 52108.9422 -109613.5296 299.4708 -161722.4718 -109239.7369 299.1482 -52.0330 -22.5952 757964.8464 17.4546 17.7052 PRESSURE: 1568800 -337.146 -14.0595 88.2522 -14.0592 269.209 -23.0953 88.2522 -23.0942 243.905 GPRESSURE: 1568800 -243.768 -65.0957 29.7162 24.986 228.422 -84.7004 100.577 -4.64311 269.545 PRESSAVG: 1568800 19.5029 -73.3052 47.0826 -73.3052 40.3556 -47.8423 47.0826 -47.8423 -4.93767 GPRESSAVG: 1568800 20.4395 -71.1264 49.463 -72.9668 39.7754 -47.8322 45.1338 -47.8438 -5.20815 TIMING: 1568800 CPU: 4993.54, 0.00318509/step Wall: 4993.54, 0.00318509/step, 3.03574 hours remaining, 238.277344 MB of memory in use. ENERGY: 1568800 3920.0142 20576.3716 14357.8961 230.8738 -203276.1084 2397.1886 0.0000 0.0000 52132.6128 -109661.1513 299.6068 -161793.7641 -109292.8042 298.8780 58.6559 84.7330 758726.9461 18.3070 18.3356 PRESSURE: 1569000 32.4577 40.9808 135.407 40.9802 -34.2661 188.961 135.407 188.962 -247.839 GPRESSURE: 1569000 18.9555 65.5389 132.826 -30.7426 -2.52503 171.843 104.513 198.617 -178.52 PRESSAVG: 1569000 67.975 -74.6437 34.4616 -74.6437 -46.2216 -3.5166 34.4615 -3.51654 -3.7071 GPRESSAVG: 1569000 69.1442 -76.5116 33.5658 -74.4724 -46.8855 -5.86719 34.8769 -2.53854 -4.6375 TIMING: 1569000 CPU: 4994.18, 0.00320167/step Wall: 4994.18, 0.00320167/step, 3.05137 hours remaining, 238.277344 MB of memory in use. ENERGY: 1569000 3978.1468 20444.8588 14507.8904 248.3920 -203327.7673 2383.4453 0.0000 0.0000 51874.1508 -109890.8831 298.1215 -161765.0339 -109523.7787 298.8441 -83.2157 -54.0298 758918.1867 6.0154 5.8737 PRESSURE: 1569200 -196.334 23.4181 154.794 23.4179 -143.2 -133.182 154.794 -133.181 548.795 GPRESSURE: 1569200 -122.583 47.1193 143.551 -19.0089 -93.3044 -67.556 48.6243 -158.081 504.021 PRESSAVG: 1569200 33.0496 -48.1072 38.5608 -48.1072 -16.5573 5.96751 38.5607 5.96749 -6.58926 GPRESSAVG: 1569200 31.765 -46.5588 38.0785 -46.9809 -16.0807 7.19854 38.7904 4.69917 -5.5195 TIMING: 1569200 CPU: 4994.82, 0.00318324/step Wall: 4994.82, 0.00318324/step, 3.03363 hours remaining, 238.277344 MB of memory in use. ENERGY: 1569200 4025.6579 20297.2899 14525.7278 263.9355 -203389.6174 2434.8074 0.0000 0.0000 52142.7747 -109699.4241 299.6652 -161842.1989 -109329.8045 298.5958 69.7538 96.0446 759541.1324 3.3010 3.3883 PRESSURE: 1569400 77.5269 -52.25 -220.431 -52.2505 -325.096 -143.293 -220.43 -143.293 -110.933 GPRESSURE: 1569400 87.9862 -76.849 -178.519 -25.7593 -304.795 -116.979 -35.1968 -160.099 -92.7375 PRESSAVG: 1569400 29.4027 -22.2752 -8.3268 -22.2751 -49.1946 -69.0102 -8.32686 -69.0103 -0.831772 GPRESSAVG: 1569400 29.8435 -21.5391 -7.27371 -24.7877 -48.9012 -68.0865 -10.9291 -69.335 -1.27518 TIMING: 1569400 CPU: 4995.46, 0.00319407/step Wall: 4995.46, 0.00319407/step, 3.04377 hours remaining, 238.277344 MB of memory in use. ENERGY: 1569400 4050.1610 20513.1245 14467.9256 227.3455 -203413.1796 2348.3117 0.0000 0.0000 51814.1968 -109992.1144 297.7769 -161806.3112 -109630.8878 298.2504 -119.5008 -103.1822 759327.3808 -6.8745 -6.7776 PRESSURE: 1569600 -29.7252 -52.8675 -117.904 -52.8664 -133.567 -20.3591 -117.905 -20.36 -212.516 GPRESSURE: 1569600 -42.0847 25.2586 -19.2557 -140.539 -80.8008 -93.3397 -136.369 84.8268 -160.226 PRESSAVG: 1569600 24.2462 -72.9561 7.71336 -72.956 -38.7647 2.97965 7.71341 2.97958 4.54635 GPRESSAVG: 1569600 24.9713 -74.8162 7.15397 -69.6958 -38.4281 1.83535 8.67254 4.11773 3.61967 TIMING: 1569600 CPU: 4996.1, 0.00321853/step Wall: 4996.1, 0.00321852/step, 3.0669 hours remaining, 238.277344 MB of memory in use. ENERGY: 1569600 4016.2649 20319.0177 14544.0429 248.1473 -203364.1793 2209.9727 0.0000 0.0000 51888.1336 -110138.6002 298.2018 -162026.7338 -109784.0002 297.9575 -125.2695 -94.3706 758260.0314 -3.3240 -3.2790 PRESSURE: 1569800 -1.00301 -320.195 119.417 -320.195 101.253 -176.946 119.417 -176.945 -61.0161 GPRESSURE: 1569800 -49.7768 -147.857 63.4015 -327.705 209.514 -150.845 131.402 -156.888 -42.1634 PRESSAVG: 1569800 -72.8326 -49.8238 8.55658 -49.8238 63.4928 -1.25402 8.55657 -1.254 -9.03008 GPRESSAVG: 1569800 -73.2748 -48.0036 9.3199 -51.9313 62.4577 -1.4831 8.65462 0.014233 -7.48002 TIMING: 1569800 CPU: 4996.74, 0.00321994/step Wall: 4996.74, 0.00321994/step, 3.06806 hours remaining, 238.277344 MB of memory in use. ENERGY: 1569800 3927.9512 20584.3999 14512.8706 234.6707 -203483.1197 2560.3198 0.0000 0.0000 51730.9925 -109931.9149 297.2987 -161662.9074 -109580.9864 298.1093 13.0779 39.1913 759401.4549 -6.1233 -6.0990 PRESSURE: 1570000 -51.2809 165.215 -25.1035 165.214 -280.956 10.7375 -25.1031 10.7358 -1.05476 GPRESSURE: 1570000 61.2537 132.478 -47.5953 78.3673 -250.811 99.7848 53.0337 53.6318 -54.0162 PRESSAVG: 1570000 -7.74425 -24.4326 17.7693 -24.4326 14.9005 -29.0538 17.7693 -29.0537 -10.57 GPRESSAVG: 1570000 -7.55833 -26.764 17.9627 -23.5191 14.9945 -29.8622 17.388 -30.5405 -11.6677 TIMING: 1570000 CPU: 4997.39, 0.00321416/step Wall: 4997.39, 0.00321416/step, 3.06238 hours remaining, 238.277344 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: 1570000 3952.6932 20471.5199 14494.3741 259.5225 -203682.4759 2723.4633 0.0000 0.0000 52072.6100 -109708.2929 299.2620 -161780.9029 -109350.9558 298.6347 -111.0974 -81.1911 758986.2911 -1.1379 -1.4105 PRESSURE: 1570200 -248.896 -43.177 156.527 -43.1768 -153.298 -233.651 156.526 -233.653 -612.957 GPRESSURE: 1570200 -190.835 -53.2724 95.5755 -128.16 -124.481 -193.212 111.734 -163.102 -617.634 PRESSAVG: 1570200 17.3182 -69.7732 -10.6164 -69.7733 -2.53997 36.2724 -10.6164 36.2724 5.29161 GPRESSAVG: 1570200 16.6752 -70.1437 -11.5141 -70.3078 -3.11361 37.152 -11.8283 38.2686 6.02188 TIMING: 1570200 CPU: 4998.02, 0.00317724/step Wall: 4998.02, 0.00317724/step, 3.02703 hours remaining, 238.277344 MB of memory in use. ENERGY: 1570200 4042.3766 20452.5585 14530.8971 260.5353 -203252.4761 2368.0383 0.0000 0.0000 52099.5891 -109498.4813 299.4171 -161598.0704 -109136.0497 298.9402 -338.3839 -310.9837 760222.6718 6.6899 6.5278 PRESSURE: 1570400 -538.111 -291.882 -284.237 -291.882 -109.743 18.1652 -284.237 18.1654 -76.8719 GPRESSURE: 1570400 -530.302 -268.906 -278.533 -286.462 -18.2518 -41.1252 -241.178 139.846 -87.6327 PRESSAVG: 1570400 33.5903 -72.0206 27.4093 -72.0205 -48.0139 44.9639 27.4093 44.9639 -6.89341 GPRESSAVG: 1570400 33.0872 -69.2338 27.0182 -73.1731 -48.1154 44.4629 29.9478 45.8413 -6.37239 TIMING: 1570400 CPU: 4998.65, 0.0031637/step Wall: 4998.65, 0.0031637/step, 3.01395 hours remaining, 238.277344 MB of memory in use. ENERGY: 1570400 4079.4107 20512.8112 14436.2556 244.7367 -203194.0452 2496.2022 0.0000 0.0000 51931.1729 -109493.4558 298.4492 -161424.6287 -109134.9595 299.5052 -241.5754 -212.0621 761902.4262 -7.1057 -7.1335 PRESSURE: 1570600 27.8372 -180.396 -46.3883 -180.396 72.0572 77.6194 -46.3881 77.6193 -177.958 GPRESSURE: 1570600 73.2427 -159.633 -4.55518 -78.274 95.3464 1.71479 -177.247 93.8756 -172.654 PRESSAVG: 1570600 1.05588 -98.1965 16.7111 -98.1965 -3.56712 21.52 16.7112 21.5199 7.28442 GPRESSAVG: 1570600 1.56603 -101.624 17.6308 -96.2087 -3.67637 21.3997 16.805 17.2636 6.48017 TIMING: 1570600 CPU: 4999.29, 0.00319894/step Wall: 4999.29, 0.00319894/step, 3.04735 hours remaining, 238.277344 MB of memory in use. ENERGY: 1570600 3958.5722 20464.6775 14502.7818 223.6841 -203101.2426 2458.8544 0.0000 0.0000 52082.3478 -109410.3249 299.3180 -161492.6727 -109044.3888 299.4395 -26.0211 -1.3550 760212.6064 1.5911 1.4566 PRESSURE: 1570800 -131.249 23.06 105.095 23.0595 -173.949 -5.09376 105.095 -5.09272 160.019 GPRESSURE: 1570800 -84.8182 46.369 178.364 -15.1562 -91.7196 24.5551 56.9434 36.7585 123.709 PRESSAVG: 1570800 -28.2201 -16.0752 17.2713 -16.0752 -0.949887 10.6736 17.2713 10.6737 -17.1259 GPRESSAVG: 1570800 -29.0116 -10.958 16.551 -19.2336 -0.715907 11.1484 15.6655 13.2428 -16.3622 TIMING: 1570800 CPU: 4999.93, 0.00320628/step Wall: 4999.93, 0.00320628/step, 3.05416 hours remaining, 238.277344 MB of memory in use. ENERGY: 1570800 3926.6925 20506.1194 14460.5058 248.0733 -203065.4686 2410.2943 0.0000 0.0000 52157.3081 -109356.4752 299.7488 -161513.7833 -108994.9035 299.7325 -48.3932 -17.6097 759756.8048 -15.4320 -15.3632 PRESSURE: 1571000 -77.0826 301.714 13.4017 301.713 -420.227 -59.1855 13.4016 -59.1847 -226.208 GPRESSURE: 1571000 -49.6542 255.706 156.26 177.18 -329.708 -102.449 49.9209 12.1989 -267.443 PRESSAVG: 1571000 21.0984 -38.2119 25.6624 -38.2119 19.2182 30.2757 25.6624 30.2758 21.2558 GPRESSAVG: 1571000 22.5786 -39.504 24.9744 -38.3439 19.4499 29.0335 26.3584 31.2463 19.9994 TIMING: 1571000 CPU: 5000.57, 0.00318163/step Wall: 5000.57, 0.00318163/step, 3.03051 hours remaining, 238.277344 MB of memory in use. ENERGY: 1571000 4045.4675 20714.2350 14440.2021 237.0216 -203035.5036 2245.3871 0.0000 0.0000 52102.0039 -109251.1864 299.4309 -161353.1903 -108899.1997 299.4449 -241.1726 -215.6016 760770.9604 20.5241 20.6760 PRESSURE: 1571200 -41.2021 45.4859 194.179 45.4851 -81.3841 80.7904 194.179 80.7905 -0.901287 GPRESSURE: 1571200 -9.27519 103.031 120.765 3.34579 -56.5672 51.4183 216.846 -6.60863 27.7583 PRESSAVG: 1571200 24.9043 -9.48442 14.3452 -9.48433 -23.4982 58.5477 14.3452 58.5477 20.3698 GPRESSAVG: 1571200 24.3337 -10.057 13.8637 -6.36293 -22.8695 59.1104 14.6561 57.4993 20.4475 TIMING: 1571200 CPU: 5001.21, 0.00318303/step Wall: 5001.21, 0.00318303/step, 3.03166 hours remaining, 238.277344 MB of memory in use. ENERGY: 1571200 4052.1517 20415.2407 14491.4973 252.6743 -203311.3611 2577.9006 0.0000 0.0000 52156.3764 -109365.5202 299.7434 -161521.8965 -108992.1103 299.8015 -41.1625 -12.6947 761094.4177 7.2586 7.3039 PRESSURE: 1571400 -247.957 -119.164 -130.017 -119.164 -613.566 -128.303 -130.018 -128.303 -316.391 GPRESSURE: 1571400 -350.641 -57.5372 -51.56 -23.303 -427.854 -173.26 -65.787 -18.762 -293.603 PRESSAVG: 1571400 38.6974 -23.9456 48.0615 -23.9455 -46.9477 -17.0658 48.0615 -17.0657 2.93213 GPRESSAVG: 1571400 38.6756 -22.0868 48.4395 -23.6178 -47.6309 -15.7662 47.8354 -16.6967 3.72137 TIMING: 1571400 CPU: 5001.84, 0.00318383/step Wall: 5001.84, 0.00318383/step, 3.03225 hours remaining, 238.277344 MB of memory in use. ENERGY: 1571400 4041.3193 20574.7446 14519.8718 230.2915 -203002.5583 2170.2912 0.0000 0.0000 52048.1030 -109417.9370 299.1212 -161466.0399 -109064.4199 299.0900 -392.6380 -357.3662 761507.1346 -1.7727 -1.7446 PRESSURE: 1571600 -352.977 99.21 -144.099 99.2105 -330.694 140.161 -144.098 140.162 -150.837 GPRESSURE: 1571600 -200.839 17.3064 -261.877 42.0671 -450.351 114.359 -169.608 228.134 -103.039 PRESSAVG: 1571600 14.1488 -16.6478 -68.3717 -16.6478 0.292806 -8.482 -68.3717 -8.48195 18.626 GPRESSAVG: 1571600 14.1728 -18.5965 -68.5666 -17.7252 0.350617 -8.67895 -69.2799 -10.283 18.0621 TIMING: 1571600 CPU: 5002.48, 0.00317516/step Wall: 5002.48, 0.00317516/step, 3.02381 hours remaining, 238.277344 MB of memory in use. ENERGY: 1571600 3991.0866 20407.2228 14438.4653 249.2200 -202745.3038 2131.6256 0.0000 0.0000 52063.9540 -109463.7295 299.2123 -161527.6835 -109107.7211 299.4564 -278.1693 -251.4094 761433.0182 11.0225 10.8618 PRESSURE: 1571800 -287.735 -87.1547 -209.013 -87.155 -240.143 -22.3635 -209.012 -22.3627 -100.372 GPRESSURE: 1571800 -244.838 -0.620621 -146.831 -69.1458 -191.75 -27.5059 -193.692 -51.412 -97.9533 PRESSAVG: 1571800 4.93412 1.44445 5.16698 1.44433 -17.3916 4.40263 5.16698 4.40264 11.2928 GPRESSAVG: 1571800 5.53812 4.15206 5.08877 -0.2641 -17.6715 4.14441 5.02443 6.18037 11.5206 TIMING: 1571800 CPU: 5003.12, 0.00318951/step Wall: 5003.12, 0.00318951/step, 3.0373 hours remaining, 238.277344 MB of memory in use. ENERGY: 1571800 3954.6919 20478.2009 14370.0777 277.5645 -202796.2824 2229.9035 0.0000 0.0000 52175.9326 -109309.9112 299.8558 -161485.8438 -108936.2728 299.4787 -209.4167 -178.1803 762324.1755 -0.3882 -0.2043 PRESSURE: 1572000 78.7275 22.9628 151.853 22.9631 -97.671 142.583 151.853 142.582 454.399 GPRESSURE: 1572000 126.001 40.0681 161.767 130.562 -113.501 201.427 47.6104 -36.1011 489.148 PRESSAVG: 1572000 41.6671 24.5315 -6.99981 24.5314 -12.3118 -6.0936 -6.99985 -6.09368 -14.9566 GPRESSAVG: 1572000 41.7199 24.8762 -7.48209 25.3842 -13.4668 -5.87087 -6.82439 -8.24587 -14.1758 TIMING: 1572000 CPU: 5003.76, 0.00319025/step Wall: 5003.76, 0.00319025/step, 3.03783 hours remaining, 238.277344 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: 1572000 3957.6171 20595.2778 14509.0735 250.9603 -203239.8395 2499.1115 0.0000 0.0000 52030.0131 -109397.7864 299.0172 -161427.7994 -109035.9856 299.7033 145.1519 167.2159 759866.4684 4.7996 4.6924 PRESSURE: 1572200 84.3512 66.5963 -78.6255 66.5962 -34.5601 -119.846 -78.6254 -119.845 113.069 GPRESSURE: 1572200 15.7379 191.336 -48.3836 48.5195 22.9766 -52.8717 -226.648 -31.615 205.969 PRESSAVG: 1572200 73.0391 -10.9355 22.5761 -10.9354 -33.0416 -40.6237 22.5761 -40.6237 -1.64282 GPRESSAVG: 1572200 73.6403 -13.2732 22.973 -11.01 -32.9077 -40.8559 23.0432 -41.624 -2.57498 TIMING: 1572200 CPU: 5004.4, 0.00319976/step Wall: 5004.4, 0.00319976/step, 3.04671 hours remaining, 238.277344 MB of memory in use. ENERGY: 1572200 4102.3895 20496.9684 14537.0250 258.5352 -203462.3735 2353.5439 0.0000 0.0000 52259.8614 -109454.0500 300.3381 -161713.9114 -109093.1777 299.9351 54.2868 81.5610 758866.6553 12.7849 12.7192 LDB: ============= START OF LOAD BALANCING ============== 5016.85 LDB: ============== END OF LOAD BALANCING =============== 5016.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5016.85 LDB: ============= START OF LOAD BALANCING ============== 5017.17 LDB: Largest compute 7059 load 0.037109 is 19.0% of average load 0.195187 LDB: Average compute 0.004424 is 2.3% of average load 0.195187 LDB: TIME 5017.17 LOAD: AVG 0.195187 MAX 0.215005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.336 MB LDB: TIME 5017.17 LOAD: AVG 0.195187 MAX 0.215005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: TIME 5017.17 LOAD: AVG 0.195187 MAX 0.215005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.539 MB LDB: ============== END OF LOAD BALANCING =============== 5017.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5017.18 PRESSURE: 1572400 -187.933 -150.506 166.439 -150.505 199.959 -39.657 166.438 -39.6572 -58.6497 GPRESSURE: 1572400 -76.6496 -97.8142 58.5331 -114.468 201.542 -16.6776 138.463 17.3936 -72.4385 PRESSAVG: 1572400 14.0024 -4.01934 2.16625 -4.01943 -3.19353 -0.989149 2.16622 -0.989159 4.618 GPRESSAVG: 1572400 13.1696 -4.59033 1.14993 -2.11151 -3.65278 -1.46073 4.1933 2.30221 5.90891 TIMING: 1572400 CPU: 5005.05, 0.00325214/step Wall: 5005.05, 0.00325214/step, 3.0964 hours remaining, 239.035156 MB of memory in use. ENERGY: 1572400 4005.4349 20619.7614 14382.3836 232.4969 -203226.0124 2384.0433 0.0000 0.0000 52097.9770 -109503.9154 299.4078 -161601.8924 -109144.2779 299.2755 -15.5415 17.4847 759990.0433 5.1423 5.1419 PRESSURE: 1572600 -92.1889 193.525 -52.8397 193.525 55.8246 -98.6332 -52.8391 -98.6334 15.8472 GPRESSURE: 1572600 -174.442 270.412 -20.695 91.0359 170.172 -219.969 -8.11462 -104.728 71.3968 PRESSAVG: 1572600 22.0011 37.2975 19.1895 37.2974 51.2387 -45.9542 19.1895 -45.9542 3.85394 GPRESSAVG: 1572600 20.7505 38.2325 19.9751 36.8941 52.7341 -45.992 19.6119 -47.9012 3.85313 TIMING: 1572600 CPU: 5005.68, 0.0031711/step Wall: 5005.68, 0.0031711/step, 3.01906 hours remaining, 239.035156 MB of memory in use. ENERGY: 1572600 4002.7556 20687.0737 14468.8268 236.2417 -203439.5012 2522.5814 0.0000 0.0000 52272.5427 -109249.4793 300.4110 -161522.0220 -108904.5248 299.3792 -6.8390 22.3755 759908.0399 25.6979 25.7792 PRESSURE: 1572800 -3.96439 139.68 -7.62857 139.679 182.948 2.20313 -7.62866 2.20322 -15.9267 GPRESSURE: 1572800 103.456 66.0383 -83.9653 128.858 147.065 16.3699 -15.5988 -76.9021 -0.417809 PRESSAVG: 1572800 11.2021 35.4197 -10.1446 35.4197 -2.95582 27.1134 -10.1447 27.1134 11.1533 GPRESSAVG: 1572800 12.6698 36.1248 -9.42796 34.2078 -3.06643 28.704 -11.1344 27.3625 9.66235 TIMING: 1572800 CPU: 5006.31, 0.00315683/step Wall: 5006.31, 0.00315683/step, 3.0053 hours remaining, 239.035156 MB of memory in use. ENERGY: 1572800 4011.3525 20594.6958 14461.3988 222.3772 -203517.3873 2440.9327 0.0000 0.0000 52433.2000 -109353.4304 301.3343 -161786.6304 -108987.8850 300.2093 54.3522 83.3677 758965.1392 6.4665 6.4219 PRESSURE: 1573000 10.9817 -149.304 -80.2335 -149.303 -192.786 -97.6823 -80.2338 -97.6819 -114.067 GPRESSURE: 1573000 33.8475 -306.288 45.8466 -101.651 -132.877 -27.9953 -43.4545 -122.165 -113.65 PRESSAVG: 1573000 7.56824 -16.7144 13.3999 -16.7144 3.71676 25.9299 13.3999 25.93 9.8905 GPRESSAVG: 1573000 8.1732 -18.4539 10.5899 -14.8011 2.83536 25.6523 13.9837 26.1285 10.3046 TIMING: 1573000 CPU: 5006.94, 0.00316569/step Wall: 5006.94, 0.00316569/step, 3.01356 hours remaining, 239.035156 MB of memory in use. ENERGY: 1573000 4028.3443 20475.7568 14529.2470 260.4479 -202896.5977 2215.2907 0.0000 0.0000 52050.8236 -109336.6875 299.1368 -161387.5110 -108964.2165 300.4796 -98.6238 -70.8932 760619.3223 7.0585 7.1044 PRESSURE: 1573200 -233.185 -153.308 76.9851 -153.307 -6.82885 29.1796 76.9861 29.18 -344.027 GPRESSURE: 1573200 -150.26 -117.838 10.1084 -206.05 -7.43616 51.2028 114.55 72.9354 -346.833 PRESSAVG: 1573200 24.0844 -32.9066 4.7773 -32.9067 -14.6324 29.8009 4.77728 29.801 -3.99484 GPRESSAVG: 1573200 23.8858 -31.5277 6.93912 -35.0455 -15.3625 30.7356 3.56416 30.5298 -3.44107 TIMING: 1573200 CPU: 5007.58, 0.00317209/step Wall: 5007.58, 0.00317209/step, 3.01948 hours remaining, 239.035156 MB of memory in use. ENERGY: 1573200 4011.2757 20724.5657 14394.6189 248.8932 -203203.3964 2304.4967 0.0000 0.0000 52296.6999 -109222.8462 300.5499 -161519.5461 -108859.8126 299.8913 -194.6804 -168.1764 759859.7176 1.8191 1.6941 PRESSURE: 1573400 98.7628 18.3017 -15.0234 18.3008 -282.17 -66.3025 -15.0236 -66.3014 51.4504 GPRESSURE: 1573400 180.047 -131.097 -70.9403 36.0505 -348.394 -54.3418 -165.997 -112.434 122.363 PRESSAVG: 1573400 29.3417 -20.2709 5.03818 -20.2709 -7.72284 -4.10632 5.03819 -4.10637 -12.5592 GPRESSAVG: 1573400 28.6398 -22.3253 5.49719 -17.1555 -6.81654 -3.99679 6.32449 -5.23897 -12.1458 TIMING: 1573400 CPU: 5008.21, 0.00316677/step Wall: 5008.21, 0.00316677/step, 3.01423 hours remaining, 239.035156 MB of memory in use. ENERGY: 1573400 4048.0280 20508.9544 14415.1689 244.2760 -203157.8300 2515.9564 0.0000 0.0000 52096.7206 -109328.7257 299.4006 -161425.4463 -108971.9541 299.7493 -43.9854 -15.3282 758675.9757 3.0199 3.2258 PRESSURE: 1573600 -56.511 -206.004 152.687 -206.003 1.49505 -167.775 152.687 -167.775 252.222 GPRESSURE: 1573600 -78.781 -92.4925 148.054 -194.259 95.6683 -189.819 129.758 -243.496 234.969 PRESSAVG: 1573600 48.07 22.2606 24.7314 22.2605 -59.1832 13.0033 24.7313 13.0033 12.157 GPRESSAVG: 1573600 48.3057 23.8657 22.6728 19.9591 -60.0581 10.8824 23.6744 14.6997 13.083 TIMING: 1573600 CPU: 5008.85, 0.00316575/step Wall: 5008.85, 0.00316575/step, 3.01309 hours remaining, 239.035156 MB of memory in use. ENERGY: 1573600 3857.3640 20579.4225 14478.7183 272.0063 -203388.0247 2559.9998 0.0000 0.0000 51993.2633 -109647.2505 298.8060 -161640.5138 -109278.8569 299.2197 65.7355 83.9522 759321.1720 0.3479 0.4436 PRESSURE: 1573800 -246.378 202.863 -320.387 202.863 -188.585 213.693 -320.387 213.693 84.8916 GPRESSURE: 1573800 -181.588 176.312 -228.582 228.791 -126.741 203.848 -136.617 112.572 24.9849 PRESSAVG: 1573800 25.126 -9.69175 42.5907 -9.6917 -52.5845 -16.9176 42.5907 -16.9175 -8.17515 GPRESSAVG: 1573800 27.1464 -10.5438 44.7295 -6.91021 -52.8428 -15.3107 43.3847 -19.5796 -9.32711 TIMING: 1573800 CPU: 5009.48, 0.00316818/step Wall: 5009.48, 0.00316818/step, 3.01523 hours remaining, 239.035156 MB of memory in use. ENERGY: 1573800 3960.9671 20265.2989 14476.9101 250.8557 -202770.7864 2153.0982 0.0000 0.0000 51865.6810 -109797.9754 298.0728 -161663.6564 -109430.8286 298.8189 -116.6904 -94.4481 761903.0509 -11.8779 -11.6745 PRESSURE: 1574000 261.005 59.2672 62.1535 59.2671 -14.643 -233.583 62.1538 -233.585 -53.8156 GPRESSURE: 1574000 252.591 88.0283 33.2519 93.4982 -36.5314 -269.096 -55.5902 -188.463 56.4253 PRESSAVG: 1574000 17.6004 -57.3595 35.8437 -57.3595 -19.5848 8.66777 35.8436 8.66784 24.0862 GPRESSAVG: 1574000 16.3 -56.4716 33.6295 -60.2489 -18.7774 8.34546 36.8347 10.3511 24.2542 TIMING: 1574000 CPU: 5010.11, 0.00317716/step Wall: 5010.11, 0.00317716/step, 3.0236 hours remaining, 239.035156 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: 1574000 4015.3369 20508.4512 14441.2845 248.8198 -203403.8402 2428.9640 0.0000 0.0000 52055.6613 -109705.3224 299.1646 -161760.9837 -109338.9283 298.4659 64.1823 90.8282 759295.8198 7.3673 7.2589 PRESSURE: 1574200 -212.905 -125.666 77.6854 -125.666 -162.573 39.2082 77.6855 39.2074 -224.412 GPRESSURE: 1574200 -164.86 -255.201 154.784 -91.9083 -135.861 -89.8494 -118.669 -29.88 -191.649 PRESSAVG: 1574200 61.7226 5.04724 43.1584 5.04724 -69.4178 0.846499 43.1584 0.846531 -29.1541 GPRESSAVG: 1574200 60.8324 3.64256 44.693 6.36229 -69.4873 1.57166 41.5165 0.119183 -28.5563 TIMING: 1574200 CPU: 5010.75, 0.00316785/step Wall: 5010.75, 0.00316785/step, 3.01456 hours remaining, 239.035156 MB of memory in use. ENERGY: 1574200 3990.8887 20433.3338 14483.6918 246.5464 -203271.0838 2374.0663 0.0000 0.0000 51894.4377 -109848.1190 298.2380 -161742.5567 -109487.8599 298.9706 -199.9634 -164.1234 760304.4415 -12.2831 -12.4038 PRESSURE: 1574400 258.095 -94.855 -80.5789 -94.855 -103.565 -318.531 -80.5779 -318.53 132.155 GPRESSURE: 1574400 305.363 -136.111 -76.503 -47.1267 -99.4648 -313.221 -20.5058 -167.295 181.493 PRESSAVG: 1574400 47.9946 -77.1601 9.90638 -77.16 -61.8427 -11.0811 9.90635 -11.0812 -1.2628 GPRESSAVG: 1574400 49.1274 -76.5074 11.6012 -78.0431 -61.9238 -9.90392 10.5244 -9.27396 -2.17284 TIMING: 1574400 CPU: 5011.38, 0.00317869/step Wall: 5011.38, 0.00317869/step, 3.0247 hours remaining, 239.035156 MB of memory in use. ENERGY: 1574400 3967.7454 20344.4982 14520.1848 251.7253 -203579.7153 2729.6048 0.0000 0.0000 51950.2426 -109815.7141 298.5588 -161765.9568 -109456.3148 298.0998 95.5617 129.1304 760536.2733 -5.0370 -4.9897 PRESSURE: 1574600 6.26865 44.6311 -177.726 44.6309 -247.594 -59.5295 -177.726 -59.5291 168.258 GPRESSURE: 1574600 -8.89787 92.6439 -157.374 -37.1234 -119.314 -7.67431 -108.208 -148.638 120.96 PRESSAVG: 1574600 31.21 -61.8827 7.9687 -61.8827 -29.4588 23.2155 7.96869 23.2155 11.5794 GPRESSAVG: 1574600 29.6967 -61.2172 5.87716 -60.4858 -28.1085 22.4407 7.58144 24.7421 11.765 TIMING: 1574600 CPU: 5012.02, 0.0031837/step Wall: 5012.02, 0.0031837/step, 3.02929 hours remaining, 239.035156 MB of memory in use. ENERGY: 1574600 4069.9169 20424.2497 14475.7101 249.8885 -203447.0580 2441.7016 0.0000 0.0000 51895.4583 -109890.1329 298.2439 -161785.5912 -109524.4248 298.6483 -24.3558 -2.4172 759695.5984 4.4435 4.4511 PRESSURE: 1574800 -81.4568 -97.1064 -183.837 -97.1062 296.535 192.829 -183.836 192.828 -25.7756 GPRESSURE: 1574800 -26.1864 -268.462 -114.045 -77.3392 216.122 181.331 -139.943 139.203 94.0368 PRESSAVG: 1574800 25.9571 -47.1812 11.1299 -47.1812 -5.52491 -47.1691 11.1298 -47.1692 0.426541 GPRESSAVG: 1574800 27.1061 -49.0006 12.0653 -47.9908 -6.84456 -47.2214 11.8404 -50.8234 0.766668 TIMING: 1574800 CPU: 5012.65, 0.0031587/step Wall: 5012.65, 0.0031587/step, 3.00533 hours remaining, 239.035156 MB of memory in use. ENERGY: 1574800 3939.4322 20360.5345 14450.4835 237.4456 -203336.5103 2357.2001 0.0000 0.0000 52149.2452 -109842.1692 299.7024 -161991.4145 -109482.5705 298.2713 63.1008 94.6576 759609.7615 6.9529 7.0094 PRESSURE: 1575000 -36.1641 -66.3661 -101.801 -66.3656 -273.406 -45.9643 -101.801 -45.9644 174.573 GPRESSURE: 1575000 12.1863 -118.874 -105.226 -28.1067 -242.903 -77.321 0.810261 73.7438 185.27 PRESSAVG: 1575000 21.9592 -76.39 -6.24259 -76.39 7.13626 -22.8095 -6.24252 -22.8096 15.0336 GPRESSAVG: 1575000 22.9021 -75.7484 -5.86046 -78.4567 5.9621 -22.8864 -6.32893 -21.3657 15.2565 TIMING: 1575000 CPU: 5013.29, 0.00317289/step Wall: 5013.29, 0.00317289/step, 3.01866 hours remaining, 239.035156 MB of memory in use. ENERGY: 1575000 3988.7431 20461.2823 14498.1552 253.3025 -203522.8698 2502.2378 0.0000 0.0000 51816.6877 -110002.4612 297.7912 -161819.1489 -109644.5552 298.3198 -44.9992 -15.1489 758643.1507 14.7097 14.7069 PRESSURE: 1575200 230.416 -61.8983 0.163123 -61.8988 -194.181 19.0701 0.163524 19.0699 -376.301 GPRESSURE: 1575200 256.883 109.627 83.555 -43.7218 -195.759 95.0384 -49.0094 -64.3831 -306.471 PRESSAVG: 1575200 19.3069 -51.9454 -23.02 -51.9454 -18.7531 10.7301 -23.0201 10.7302 -7.96691 GPRESSAVG: 1575200 16.8866 -51.1359 -22.896 -49.9088 -16.8834 10.9489 -22.1174 10.0379 -7.5268 TIMING: 1575200 CPU: 5013.92, 0.00316694/step Wall: 5013.92, 0.00316694/step, 3.01282 hours remaining, 239.035156 MB of memory in use. ENERGY: 1575200 4026.6774 20456.4298 14430.1668 257.3586 -203460.3326 2611.5100 0.0000 0.0000 52060.8374 -109617.3526 299.1943 -161678.1900 -109258.5071 298.7648 -113.3553 -81.7824 760194.1638 -2.4710 -2.5079 PRESSURE: 1575400 -38.1495 43.6897 17.4682 43.6903 -43.3313 -149.142 17.4674 -149.143 -536.228 GPRESSURE: 1575400 10.4282 111.364 4.81295 45.8668 -61.7613 -141.763 -72.7212 -178.609 -479.106 PRESSAVG: 1575400 26.9787 -59.353 58.8465 -59.353 27.3028 36.4841 58.8466 36.484 21.7133 GPRESSAVG: 1575400 28.517 -59.5451 56.9098 -60.6814 25.984 35.8024 57.0112 35.7782 21.4588 TIMING: 1575400 CPU: 5014.56, 0.00318527/step Wall: 5014.56, 0.00318527/step, 3.03007 hours remaining, 239.035156 MB of memory in use. ENERGY: 1575400 4033.2354 20543.7412 14472.0243 250.7746 -203472.6667 2644.2619 0.0000 0.0000 51978.3841 -109550.2453 298.7205 -161528.6294 -109196.0520 299.2044 -205.9029 -176.8131 760225.3231 25.3316 25.3200 PRESSURE: 1575600 -84.5734 94.8407 140.462 94.8411 -26.6565 -253.716 140.462 -253.716 110.964 GPRESSURE: 1575600 -15.4385 103.182 77.2915 51.1112 -81.5874 -200.943 2.63846 -146.97 176.256 PRESSAVG: 1575600 6.21129 -48.3903 30.2562 -48.3903 -14.3484 -76.7231 30.2562 -76.7231 -17.9719 GPRESSAVG: 1575600 6.87813 -48.499 31.8376 -46.7911 -13.5321 -77.4205 28.7827 -74.1458 -19.0724 TIMING: 1575600 CPU: 5015.19, 0.00318414/step Wall: 5015.19, 0.00318414/step, 3.02883 hours remaining, 239.035156 MB of memory in use. ENERGY: 1575600 4003.4236 20573.2443 14484.6454 239.1154 -203073.5674 2421.7821 0.0000 0.0000 51968.2512 -109383.1053 298.6623 -161351.3565 -109021.9146 299.7763 -0.0886 26.4099 760972.8107 -8.7030 -8.5755 PRESSURE: 1575800 -87.5112 -201.986 -249.978 -201.985 -48.3009 -97.3936 -249.978 -97.3935 429.854 GPRESSURE: 1575800 -14.5799 -121.641 -260.258 -232.195 -9.00846 -97.6571 -34.7869 -1.74272 413.766 PRESSAVG: 1575800 6.62747 -11.5753 7.50255 -11.5753 -6.15583 -29.7295 7.50252 -29.7295 -13.3765 GPRESSAVG: 1575800 3.70408 -12.4627 6.3323 -11.0627 -4.27019 -29.9178 11.5768 -30.7447 -12.1271 TIMING: 1575800 CPU: 5015.83, 0.00319044/step Wall: 5015.83, 0.00319044/step, 3.03464 hours remaining, 239.035156 MB of memory in use. ENERGY: 1575800 3959.3844 20449.0682 14380.8079 248.2982 -203282.0697 2432.8484 0.0000 0.0000 52257.9666 -109553.6959 300.3273 -161811.6625 -109191.1149 299.6268 98.0140 130.0591 760159.9220 -4.3016 -4.2311 PRESSURE: 1576000 -159.84 -75.0937 119.436 -75.0941 100.328 -120.504 119.436 -120.504 9.3784 GPRESSURE: 1576000 -121.652 -140.945 189.909 -49.3725 112.433 -111.138 -10.256 30.0317 61.4794 PRESSAVG: 1576000 -40.4627 -71.4382 -24.2405 -71.4382 54.7933 -39.8909 -24.2405 -39.891 14.876 GPRESSAVG: 1576000 -38.8561 -70.6089 -23.9428 -72.4195 54.0011 -38.3991 -25.4989 -40.9018 14.4195 TIMING: 1576000 CPU: 5016.47, 0.00317444/step Wall: 5016.47, 0.00317444/step, 3.01925 hours remaining, 239.035156 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: 1576000 4008.1577 20454.7491 14509.7021 237.2499 -203482.9437 2423.4367 0.0000 0.0000 52154.2605 -109695.3878 299.7313 -161849.6484 -109339.5102 299.1789 -16.7111 17.4201 759560.2208 9.7355 9.8548 PRESSURE: 1576200 -172.057 -119.623 -114.312 -119.623 -92.2035 -0.39264 -114.313 -0.392624 -369.331 GPRESSURE: 1576200 -91.5096 -215.729 -42.6766 -74.1873 -96.0249 -7.58904 -168.504 -114.523 -366.495 PRESSAVG: 1576200 20.3324 -58.9985 14.9861 -58.9985 -26.8029 -28.527 14.9862 -28.527 3.46091 GPRESSAVG: 1576200 21.0378 -59.1065 16.8815 -59.2041 -27.1761 -31.3261 11.9652 -24.7978 3.44716 TIMING: 1576200 CPU: 5017.1, 0.00317698/step Wall: 5017.1, 0.00317698/step, 3.02148 hours remaining, 239.035156 MB of memory in use. ENERGY: 1576200 4010.8299 20522.3946 14434.8465 244.1978 -203361.4641 2349.2166 0.0000 0.0000 52127.1081 -109672.8707 299.5752 -161799.9788 -109309.8627 298.9430 -211.1972 -184.6764 760241.0443 -1.0032 -0.8971 LDB: ============= START OF LOAD BALANCING ============== 5029.56 LDB: ============== END OF LOAD BALANCING =============== 5029.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5029.56 LDB: ============= START OF LOAD BALANCING ============== 5029.88 LDB: Largest compute 7032 load 0.034959 is 17.9% of average load 0.195180 LDB: Average compute 0.004402 is 2.3% of average load 0.195180 LDB: TIME 5029.88 LOAD: AVG 0.19518 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.305 MB LDB: TIME 5029.88 LOAD: AVG 0.19518 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: TIME 5029.88 LOAD: AVG 0.19518 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: ============== END OF LOAD BALANCING =============== 5029.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5029.89 PRESSURE: 1576400 237.885 103.574 225.466 103.575 183.752 -50.9139 225.467 -50.9149 -185.399 GPRESSURE: 1576400 269.701 36.3613 257.106 72.5183 211.76 -42.3176 227.849 -86.3286 -169.311 PRESSAVG: 1576400 -51.5455 -15.3106 -40.5444 -15.3105 33.9664 18.77 -40.5444 18.77 15.0643 GPRESSAVG: 1576400 -52.4798 -15.402 -43.291 -14.6422 35.4921 20.3845 -38.856 15.995 14.2727 TIMING: 1576400 CPU: 5017.75, 0.00325262/step Wall: 5017.75, 0.00325262/step, 3.09324 hours remaining, 239.101562 MB of memory in use. ENERGY: 1576400 4007.3334 20551.8760 14482.7642 230.4822 -203535.7891 2658.4785 0.0000 0.0000 51819.9661 -109784.8886 297.8101 -161604.8547 -109422.3945 298.8344 78.7461 104.0502 759404.8278 -0.8382 -0.9050 PRESSURE: 1576600 -127.556 -62.181 4.79155 -62.1809 -220.317 43.4994 4.79213 43.5005 41.5698 GPRESSURE: 1576600 -62.5117 -23.5309 -46.1524 -128.936 -157.038 110.603 -8.31429 30.0122 6.52272 PRESSAVG: 1576600 61.8213 -51.3855 33.1061 -51.3855 -58.0561 -44.3871 33.1061 -44.3871 13.8004 GPRESSAVG: 1576600 61.8261 -50.7041 32.6115 -52.1299 -58.3844 -44.0221 32.237 -45.9795 14.3913 TIMING: 1576600 CPU: 5018.39, 0.0031831/step Wall: 5018.39, 0.00318311/step, 3.02696 hours remaining, 239.304688 MB of memory in use. ENERGY: 1576600 3963.4925 20559.3361 14366.5475 257.1607 -203356.0116 2661.1900 0.0000 0.0000 51743.2890 -109804.9957 297.3694 -161548.2847 -109447.2813 298.6801 -102.1010 -71.0091 760960.3465 5.8552 5.9443 PRESSURE: 1576800 11.2991 19.4715 95.6712 19.4715 198.384 176.052 95.6714 176.052 149.232 GPRESSURE: 1576800 77.6415 68.1296 109.879 -37.2662 250.489 164.704 141.57 100.02 101.929 PRESSAVG: 1576800 17.3052 1.68338 42.2094 1.68343 -42.7484 40.7439 42.2094 40.7439 4.13135 GPRESSAVG: 1576800 16.6028 2.35411 43.9541 -0.165276 -41.8781 40.9662 44.0201 40.497 4.61838 TIMING: 1576800 CPU: 5019.02, 0.00317589/step Wall: 5019.02, 0.00317589/step, 3.01992 hours remaining, 239.304688 MB of memory in use. ENERGY: 1576800 3960.8863 20486.2576 14437.0902 261.3831 -203706.9419 2730.6263 0.0000 0.0000 51810.2884 -110020.4100 297.7544 -161830.6984 -109662.9090 298.6654 119.6384 143.3532 760393.1712 -7.1039 -6.8856 PRESSURE: 1577000 -49.1695 166.604 -53.9647 166.604 -113.06 -46.0866 -53.9652 -46.0871 48.0261 GPRESSURE: 1577000 -28.2164 57.304 -84.4414 219.274 -60.3776 -102.038 -38.7137 -100.903 59.9387 PRESSAVG: 1577000 17.668 -10.0833 51.6152 -10.0833 -52.5422 19.7952 51.6152 19.7952 -21.6259 GPRESSAVG: 1577000 18.6127 -12.9214 49.8316 -9.45602 -52.9045 19.2936 48.9605 20.002 -22.8158 TIMING: 1577000 CPU: 5019.66, 0.00318735/step Wall: 5019.66, 0.00318735/step, 3.03064 hours remaining, 239.304688 MB of memory in use. ENERGY: 1577000 3986.3642 20399.8733 14484.8266 244.5806 -203420.6889 2724.2543 0.0000 0.0000 51668.8288 -109911.9610 296.9415 -161580.7898 -109554.4905 298.2683 -38.0678 -9.5518 761363.3477 -18.8334 -19.0359 PRESSURE: 1577200 147.373 -249.936 230.7 -249.936 225.991 -325.913 230.7 -325.912 247.604 GPRESSURE: 1577200 187.628 -255.298 298.155 -182.467 264.766 -293.147 72.1977 -165.907 267.688 PRESSAVG: 1577200 51.764 -28.9982 43.1607 -28.9981 -33.8073 -59.9254 43.1607 -59.9253 5.21616 GPRESSAVG: 1577200 50.9761 -28.5193 44.485 -27.5962 -32.8953 -58.2586 43.6592 -57.6729 4.69766 TIMING: 1577200 CPU: 5020.3, 0.00318881/step Wall: 5020.3, 0.00318881/step, 3.03185 hours remaining, 239.304688 MB of memory in use. ENERGY: 1577200 3934.7893 20399.8298 14355.1678 235.5946 -203678.8625 2769.3799 0.0000 0.0000 52138.8247 -109845.2764 299.6425 -161984.1011 -109485.4993 298.7685 206.9894 240.0272 761317.8994 7.7243 7.5928 PRESSURE: 1577400 211.504 96.6173 -405.251 96.6168 -222.245 262.248 -405.251 262.249 -22.503 GPRESSURE: 1577400 197.384 125.752 -390.44 44.5748 -79.3709 309.533 -308.636 177.467 -58.705 PRESSAVG: 1577400 -1.74805 19.1368 26.9883 19.1368 -1.21087 -53.1139 26.9883 -53.1139 -15.8991 GPRESSAVG: 1577400 -1.83133 20.8858 26.1589 17.6339 -2.30666 -54.9846 27.1551 -53.4945 -14.8676 TIMING: 1577400 CPU: 5020.94, 0.00318563/step Wall: 5020.94, 0.00318563/step, 3.02865 hours remaining, 239.304688 MB of memory in use. ENERGY: 1577400 3997.9828 20385.0989 14495.2106 257.2037 -203927.3859 2705.1066 0.0000 0.0000 52177.5213 -109909.2619 299.8649 -162086.7832 -109550.1784 298.5103 -11.0813 19.7695 761951.3122 -6.2860 -6.3352 PRESSURE: 1577600 -144.812 35.7694 26.9299 35.7702 46.331 -51.5854 26.9295 -51.5865 41.7734 GPRESSURE: 1577600 -63.0261 0.376266 47.138 -16.196 -24.4764 -6.64513 -39.782 75.0398 122.213 PRESSAVG: 1577600 20.886 -8.977 5.89613 -8.97701 -23.8772 13.7176 5.89611 13.7176 10.4498 GPRESSAVG: 1577600 20.8999 -10.7332 6.59287 -7.52646 -23.2695 15.769 4.03452 11.2241 9.66544 TIMING: 1577600 CPU: 5021.57, 0.00317586/step Wall: 5021.57, 0.00317586/step, 3.01919 hours remaining, 239.304688 MB of memory in use. ENERGY: 1577600 4011.5845 20488.9217 14449.9576 260.7010 -203677.5492 2607.4528 0.0000 0.0000 51879.3501 -109979.5816 298.1513 -161858.9317 -109614.8106 299.1309 -18.9027 11.5700 761598.9763 2.4862 2.4320 PRESSURE: 1577800 -318.731 130.41 100.081 130.41 -74.8514 -176.441 100.08 -176.441 -276.716 GPRESSURE: 1577800 -337.551 57.6362 99.7829 161.998 -56.5635 -279.455 152.074 -156.903 -191.885 PRESSAVG: 1577800 36.2493 -35.6505 12.1431 -35.6505 -1.42516 43.691 12.1431 43.691 -18.2478 GPRESSAVG: 1577800 36.5254 -35.5875 11.3434 -36.3152 -2.88653 42.9144 13.2367 44.6475 -17.1665 TIMING: 1577800 CPU: 5022.21, 0.00318623/step Wall: 5022.21, 0.00318623/step, 3.02886 hours remaining, 239.304688 MB of memory in use. ENERGY: 1577800 3972.0757 20294.8848 14440.1038 258.0383 -203076.2157 2173.0689 0.0000 0.0000 51818.0310 -110120.0132 297.7989 -161938.0442 -109755.0552 298.5603 -223.4329 -195.3331 761575.5179 5.5255 5.4908 PRESSURE: 1578000 163.241 -76.0729 -122.777 -76.0726 22.0414 -122.318 -122.777 -122.317 73.747 GPRESSURE: 1578000 208.216 -54.5883 -124.476 16.2524 130.94 -104.376 -151.192 -102.688 24.4198 PRESSAVG: 1578000 -57.3453 -44.5279 26.3785 -44.5278 43.856 -44.5691 26.3785 -44.5691 26.0505 GPRESSAVG: 1578000 -57.6363 -44.709 26.1247 -43.1728 44.5609 -44.7467 27.2713 -44.5086 25.2487 TIMING: 1578000 CPU: 5022.85, 0.00317857/step Wall: 5022.85, 0.00317857/step, 3.0214 hours remaining, 239.304688 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: 1578000 4036.1785 20390.2614 14412.1711 245.8559 -203804.8493 2805.4666 0.0000 0.0000 51956.4404 -109958.4754 298.5944 -161914.9158 -109604.6326 298.2392 86.3431 121.1919 759262.6960 4.1871 4.0578 PRESSURE: 1578200 -279.072 185.813 176.676 185.814 -255.814 -55.7477 176.676 -55.7478 -213.464 GPRESSURE: 1578200 -229.494 269.784 189.911 209.485 -207.124 -59.1997 134.716 -55.2184 -228.946 PRESSAVG: 1578200 4.10233 -25.0971 26.6046 -25.0971 8.90847 31.8302 26.6046 31.8302 11.3032 GPRESSAVG: 1578200 3.54727 -23.8713 27.3591 -27.0563 9.47478 31.4373 26.654 31.3516 11.1674 TIMING: 1578200 CPU: 5023.48, 0.00317787/step Wall: 5023.48, 0.00317787/step, 3.02056 hours remaining, 239.304688 MB of memory in use. ENERGY: 1578200 4087.8302 20526.6071 14463.3030 267.5803 -203461.5506 2334.5969 0.0000 0.0000 51935.5546 -109846.0785 298.4743 -161781.6331 -109488.8289 298.5739 -249.4500 -221.8547 758931.0861 8.1047 8.0632 PRESSURE: 1578400 -200.969 -84.8296 24.5165 -84.829 -126.246 39.3305 24.5166 39.3319 -575.006 GPRESSURE: 1578400 -144.746 -84.4984 104.567 -123.234 -88.55 40.0738 1.90637 126.507 -571.577 PRESSAVG: 1578400 -36.2964 -46.3184 -0.0155515 -46.3184 78.3231 -3.04859 -0.0155375 -3.04861 -8.85479 GPRESSAVG: 1578400 -36.4332 -47.6879 -1.42496 -45.6 77.4669 -3.97445 0.812599 -1.42555 -7.93663 TIMING: 1578400 CPU: 5024.12, 0.00319957/step Wall: 5024.12, 0.00319957/step, 3.04101 hours remaining, 239.304688 MB of memory in use. ENERGY: 1578400 3957.2999 20659.3224 14470.8738 254.3025 -203221.4897 2432.6771 0.0000 0.0000 51807.7214 -109639.2927 297.7397 -161447.0141 -109276.8981 299.0719 -300.7401 -268.2910 761699.7955 11.0573 11.0324 PRESSURE: 1578600 -284.635 -138.567 -56.1659 -138.568 -53.6986 -178.685 -56.1661 -178.684 -88.0526 GPRESSURE: 1578600 -154.644 -185.224 -40.9497 -149.368 -77.3878 -179.231 -26.9039 -43.7591 -109.046 PRESSAVG: 1578600 -23.759 -35.5261 6.1801 -35.5261 17.8357 -42.3762 6.18005 -42.3762 11.7253 GPRESSAVG: 1578600 -24.4718 -33.5388 6.94257 -38.0143 17.2877 -43.6213 3.42921 -42.0704 12.6346 TIMING: 1578600 CPU: 5024.76, 0.00319381/step Wall: 5024.76, 0.00319381/step, 3.03536 hours remaining, 239.304688 MB of memory in use. ENERGY: 1578600 3993.1705 20674.9663 14422.3353 225.0664 -203365.3191 2249.8479 0.0000 0.0000 52061.9059 -109738.0267 299.2005 -161799.9326 -109371.0651 298.7078 -142.1289 -113.6925 758455.3337 1.9340 1.8168 PRESSURE: 1578800 56.4972 119.134 22.0949 119.134 -28.9668 104.836 22.0938 104.836 -191.823 GPRESSURE: 1578800 114.873 101.6 35.8404 59.4936 -33.779 130.603 71.6585 38.2044 -158.171 PRESSAVG: 1578800 31.8999 -6.79803 12.0514 -6.79807 0.175218 -11.9775 12.0514 -11.9775 -11.0323 GPRESSAVG: 1578800 33.0148 -7.21439 11.7978 -5.95001 -0.574468 -10.5391 17.5731 -12.8318 -11.6501 TIMING: 1578800 CPU: 5025.4, 0.0032041/step Wall: 5025.4, 0.0032041/step, 3.04497 hours remaining, 239.304688 MB of memory in use. ENERGY: 1578800 3966.5599 20427.1735 14480.1153 266.2742 -202984.6706 1923.2916 0.0000 0.0000 52239.0354 -109682.2206 300.2185 -161921.2560 -109314.1417 299.7321 -54.7642 -25.6921 758724.8151 7.0143 6.9301 PRESSURE: 1579000 -464.013 167.152 6.8906 167.153 -46.6856 134.548 6.89125 134.548 -32.0452 GPRESSURE: 1579000 -483.823 157.252 -42.434 239.953 -7.51323 157.502 -7.07145 127.755 10.0985 PRESSAVG: 1579000 32.052 11.5895 4.81694 11.5895 -1.67319 37.4682 4.81696 37.4682 -3.70442 GPRESSAVG: 1579000 31.5904 11.9722 5.85186 14.3556 -0.442204 36.1099 0.0104523 38.6618 -4.8371 TIMING: 1579000 CPU: 5026.04, 0.00318891/step Wall: 5026.04, 0.00318891/step, 3.03035 hours remaining, 239.304688 MB of memory in use. ENERGY: 1579000 4089.1009 20518.4974 14394.9571 227.4085 -203237.6875 2464.6258 0.0000 0.0000 51962.7629 -109580.3348 298.6307 -161543.0978 -109220.3477 299.1288 -180.9147 -160.4127 760388.0521 8.8915 8.7704 PRESSURE: 1579200 165.67 -102.196 266.361 -102.194 -298.112 101.975 266.36 101.975 -205.677 GPRESSURE: 1579200 134.348 -114.086 243.414 -40.9055 -231.766 40.761 216.737 125.838 -150.272 PRESSAVG: 1579200 2.11963 -62.5341 -14.0745 -62.5341 -17.4108 38.4927 -14.0745 38.4927 -21.3633 GPRESSAVG: 1579200 0.508849 -61.1462 -13.5837 -63.5084 -17.5358 38.5174 -12.6802 38.7659 -19.9073 TIMING: 1579200 CPU: 5026.67, 0.00316887/step Wall: 5026.67, 0.00316887/step, 3.01113 hours remaining, 239.304688 MB of memory in use. ENERGY: 1579200 4009.5112 20607.1212 14435.3849 230.3630 -202951.5921 2281.9858 0.0000 0.0000 51876.8948 -109510.3311 298.1372 -161387.2259 -109153.3983 299.2457 -112.7065 -82.5633 760097.8061 -12.2182 -12.3114 PRESSURE: 1579400 422.306 56.3557 109.395 56.3557 332.224 -176.065 109.394 -176.066 502.068 GPRESSURE: 1579400 499.733 170.403 43.4662 26.7772 349.62 -151.273 161.327 -120.527 506.301 PRESSAVG: 1579400 9.68268 -74.8522 57.0795 -74.8521 -3.64513 -4.17397 57.0795 -4.17406 -8.86731 GPRESSAVG: 1579400 10.2883 -75.9015 56.4835 -73.2371 -3.63133 -3.61531 57.5076 -5.14633 -9.33758 TIMING: 1579400 CPU: 5027.31, 0.00317164/step Wall: 5027.31, 0.00317164/step, 3.01358 hours remaining, 239.304688 MB of memory in use. ENERGY: 1579400 4001.2770 20584.6236 14533.2952 258.2375 -203546.8671 2662.4429 0.0000 0.0000 52112.5397 -109394.4512 299.4915 -161506.9909 -109042.2110 299.1250 418.8658 451.8845 758343.9207 -0.9433 -0.8935 PRESSURE: 1579600 -38.2319 -145.723 16.8909 -145.723 25.2019 73.6671 16.8908 73.668 -412.42 GPRESSURE: 1579600 11.0289 -9.72343 -51.0255 -109.502 18.6667 15.5697 -89.7083 215.97 -361.672 PRESSAVG: 1579600 10.0164 -5.13518 15.6254 -5.13515 21.1382 43.67 15.6255 43.6699 -25.7143 GPRESSAVG: 1579600 9.50733 -4.36032 15.448 -6.76497 22.1499 44.1595 14.2956 43.3496 -26.1773 TIMING: 1579600 CPU: 5027.94, 0.00318096/step Wall: 5027.94, 0.00318096/step, 3.02226 hours remaining, 239.304688 MB of memory in use. ENERGY: 1579600 4008.8189 20478.6516 14429.3980 232.8787 -203255.4951 2576.4485 0.0000 0.0000 52161.8203 -109367.4791 299.7747 -161529.2994 -109007.6369 299.6889 -141.8168 -110.6589 760744.0866 1.8134 1.8267 PRESSURE: 1579800 315.452 -199.523 -84.9824 -199.522 -146.617 -140.016 -84.9828 -140.018 -85.5661 GPRESSURE: 1579800 293.218 -190.298 -58.5289 -70.9783 -75.5845 -136.985 -89.8288 -187.147 -46.873 PRESSAVG: 1579800 -9.78348 -13.8851 -13.8592 -13.8851 -57.231 18.2282 -13.8592 18.2281 25.1244 GPRESSAVG: 1579800 -8.01955 -14.3289 -13.012 -12.4476 -59.1165 17.4465 -13.2779 19.657 24.8232 TIMING: 1579800 CPU: 5028.58, 0.00318009/step Wall: 5028.58, 0.00318009/step, 3.02126 hours remaining, 239.304688 MB of memory in use. ENERGY: 1579800 4031.0671 20484.7414 14529.2233 255.2203 -203359.3032 2603.6564 0.0000 0.0000 52135.7625 -109319.6322 299.6249 -161455.3947 -108952.8210 299.5878 27.7564 56.9201 761649.8561 -13.9634 -14.1043 PRESSURE: 1580000 -224.372 -33.7091 169.386 -33.7098 262.167 117.277 169.385 117.277 684.945 GPRESSURE: 1580000 -162.481 -56.1032 129.291 -69.4328 242.502 168.665 24.668 127.232 744.404 PRESSAVG: 1580000 39.9602 12.6351 -43.9893 12.6351 -6.8952 65.9044 -43.9893 65.9044 22.2065 GPRESSAVG: 1580000 39.174 10.9484 -45.4464 13.0296 -7.28199 67.8858 -43.415 63.1687 23.0204 TIMING: 1580000 CPU: 5029.21, 0.00318184/step Wall: 5029.21, 0.00318183/step, 3.02274 hours remaining, 239.304688 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: 1580000 4060.0919 20484.3864 14467.6334 250.5216 -203608.0428 2762.2065 0.0000 0.0000 52133.0948 -109450.1082 299.6096 -161583.2030 -109076.5513 299.8870 240.9137 274.8080 760945.2749 18.4238 18.3041 PRESSURE: 1580200 81.5226 -64.7276 150.42 -64.7278 -284.249 -15.3622 150.419 -15.362 11.6381 GPRESSURE: 1580200 65.6164 69.5676 123.911 140.616 -280.112 -48.0754 164.773 45.5213 101.908 PRESSAVG: 1580200 -53.2005 17.1742 7.30661 17.1742 75.2605 29.7642 7.30661 29.7642 -16.7308 GPRESSAVG: 1580200 -54.4266 18.3141 8.1443 17.4447 76.205 29.5203 6.76126 32.1956 -16.8751 TIMING: 1580200 CPU: 5029.85, 0.00318616/step Wall: 5029.85, 0.00318616/step, 3.02668 hours remaining, 239.304688 MB of memory in use. ENERGY: 1580200 4003.0395 20522.2341 14498.5604 265.1746 -202849.3543 2302.9291 0.0000 0.0000 52054.0940 -109203.3226 299.1556 -161257.4166 -108840.3129 299.8054 -63.6960 -37.5293 761357.6133 1.7764 1.6344 LDB: ============= START OF LOAD BALANCING ============== 5042.31 LDB: ============== END OF LOAD BALANCING =============== 5042.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5042.31 LDB: ============= START OF LOAD BALANCING ============== 5042.63 LDB: Largest compute 7060 load 0.037141 is 19.0% of average load 0.195277 LDB: Average compute 0.004406 is 2.3% of average load 0.195277 LDB: TIME 5042.63 LOAD: AVG 0.195277 MAX 0.217431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.777 MB LDB: TIME 5042.63 LOAD: AVG 0.195277 MAX 0.217431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.781 MB LDB: TIME 5042.63 LOAD: AVG 0.195277 MAX 0.217431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.781 MB LDB: ============== END OF LOAD BALANCING =============== 5042.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5042.64 PRESSURE: 1580400 95.6854 -8.34648 -41.1669 -8.34606 87.6934 287.566 -41.1673 287.567 -55.8993 GPRESSURE: 1580400 37.0377 -68.424 -58.6136 42.9529 200.903 356.635 -143.32 214.054 -5.30989 PRESSAVG: 1580400 44.6977 -3.8892 -29.9578 -3.88917 -2.6337 -19.4359 -29.9578 -19.4359 -21.8452 GPRESSAVG: 1580400 45.9011 -3.03019 -29.4598 -4.75317 -4.37871 -17.9784 -29.1097 -22.5774 -21.3403 TIMING: 1580400 CPU: 5030.5, 0.0032585/step Wall: 5030.5, 0.0032585/step, 3.09521 hours remaining, 238.480469 MB of memory in use. ENERGY: 1580400 3924.4921 20602.8803 14531.2190 241.4398 -203300.1420 2554.2089 0.0000 0.0000 52300.2380 -109145.6639 300.5702 -161445.9019 -108777.0403 299.7227 42.4932 77.5434 761092.6593 6.7396 6.7274 PRESSURE: 1580600 138.138 -7.34161 262.22 -7.34233 82.5288 -17.5451 262.22 -17.5451 86.9396 GPRESSURE: 1580600 201.28 80.2539 187.647 -45.559 120.991 -61.7312 267.391 227.774 48.092 PRESSAVG: 1580600 27.0554 -30.8783 8.0076 -30.8782 -7.87159 17.5486 8.00765 17.5486 -8.07633 GPRESSAVG: 1580600 26.8033 -31.9608 7.67181 -29.491 -6.60797 15.2739 6.59896 20.3702 -9.2024 TIMING: 1580600 CPU: 5031.14, 0.00317566/step Wall: 5031.14, 0.00317566/step, 3.01635 hours remaining, 238.480469 MB of memory in use. ENERGY: 1580600 4120.4288 20483.6340 14502.1215 239.8846 -203857.2779 2737.4599 0.0000 0.0000 52300.6090 -109473.1401 300.5723 -161773.7491 -109113.3225 299.8853 102.5354 123.4543 759195.4841 3.7025 3.6643 PRESSURE: 1580800 -426.094 -12.6277 -5.93398 -12.627 110.559 -196.848 -5.93427 -196.848 -81.1145 GPRESSURE: 1580800 -353.002 99.4573 -29.6582 -27.4114 78.6819 -205.996 33.1312 -77.3453 -52.4348 PRESSAVG: 1580800 38.5234 -37.4505 -4.92935 -37.4504 4.84067 28.168 -4.92931 28.168 7.51991 GPRESSAVG: 1580800 38.43 -35.8982 -4.34671 -40.3649 3.92912 28.2537 -5.13425 29.3968 9.05535 TIMING: 1580800 CPU: 5031.77, 0.00315776/step Wall: 5031.77, 0.00315776/step, 2.99917 hours remaining, 238.480469 MB of memory in use. ENERGY: 1580800 3961.2602 20564.2482 14497.6695 249.3307 -203196.5829 2270.7691 0.0000 0.0000 52233.1155 -109420.1897 300.1844 -161653.3052 -109047.8380 299.7472 -132.2166 -108.9182 762716.6328 16.9613 17.1382 PRESSURE: 1581000 184.896 -19.8078 -32.0119 -19.8071 442.289 133.759 -32.0122 133.759 300.007 GPRESSURE: 1581000 264.007 -100.113 -146.584 27.4569 465.212 160.959 -51.9278 65.4434 303.184 PRESSAVG: 1581000 -21.2145 2.01483 -39.7186 2.01483 -40.5312 10.8718 -39.7185 10.8718 -3.87147 GPRESSAVG: 1581000 -20.2622 1.06693 -39.94 4.0071 -39.905 11.8793 -37.4338 6.90377 -5.40216 TIMING: 1581000 CPU: 5032.4, 0.00315747/step Wall: 5032.4, 0.00315747/step, 2.99872 hours remaining, 238.480469 MB of memory in use. ENERGY: 1581000 3970.6552 20623.1707 14423.4604 264.5912 -203762.4028 2905.1662 0.0000 0.0000 51937.8687 -109637.4905 298.4876 -161575.3592 -109278.5018 298.9599 309.0639 344.1342 759450.7274 -21.8724 -21.8565 PRESSURE: 1581200 267.334 -36.9257 -101.529 -36.9247 -240.093 -36.2273 -101.529 -36.2274 -354.496 GPRESSURE: 1581200 151.084 26.2439 -63.4964 -53.341 -83.9694 21.0594 -124.346 -24.8991 -300.313 PRESSAVG: 1581200 -5.24847 -3.73955 0.258513 -3.73956 30.2664 48.0152 0.258592 48.0151 21.8205 GPRESSAVG: 1581200 -6.59187 -3.9289 -0.605234 -3.09651 29.4563 48.0276 0.881812 48.8208 23.5664 TIMING: 1581200 CPU: 5033.03, 0.00316296/step Wall: 5033.03, 0.00316296/step, 3.00376 hours remaining, 238.480469 MB of memory in use. ENERGY: 1581200 4000.1763 20510.3015 14504.1788 236.4106 -203685.2831 2789.5753 0.0000 0.0000 52095.2900 -109549.3507 299.3923 -161644.6406 -109194.8386 299.2890 -109.0852 -77.7326 760862.9909 15.6128 15.4769 PRESSURE: 1581400 -222.844 -214.711 -77.5272 -214.711 -406.539 -81.9503 -77.528 -81.9504 -112.741 GPRESSURE: 1581400 -102.317 -247.618 -142.115 -158.633 -421.588 -96.6797 109.509 -138.785 -145.07 PRESSAVG: 1581400 1.55188 -6.38306 21.5378 -6.38313 -9.18972 20.4403 21.5378 20.4403 11.4251 GPRESSAVG: 1581400 2.5202 -6.84519 20.0965 -8.47948 -7.69812 21.8923 20.4148 21.3126 9.02385 TIMING: 1581400 CPU: 5033.68, 0.00320572/step Wall: 5033.68, 0.00320572/step, 3.04419 hours remaining, 238.480469 MB of memory in use. ENERGY: 1581400 3959.6092 20557.0729 14524.2773 258.3656 -203408.5859 2471.2462 0.0000 0.0000 51875.5587 -109762.4560 298.1295 -161638.0147 -109400.7832 299.2639 -247.3746 -222.9915 760859.1293 1.2624 1.2820 PRESSURE: 1581600 -23.4342 279.277 -12.0397 279.276 -25.5985 65.6192 -12.0397 65.6193 69.0135 GPRESSURE: 1581600 19.4877 143.815 16.6575 264.858 -1.7854 49.8581 96.1354 66.4753 75.1261 PRESSAVG: 1581600 -22.9047 -39.0487 12.1244 -39.0486 45.8707 13.5182 12.1245 13.5181 12.065 GPRESSAVG: 1581600 -23.2791 -39.13 15.825 -37.862 44.6267 11.8862 12.7446 15.045 13.5065 TIMING: 1581600 CPU: 5034.31, 0.00317815/step Wall: 5034.31, 0.00317815/step, 3.01783 hours remaining, 238.480469 MB of memory in use. ENERGY: 1581600 3994.5847 20616.3355 14481.9149 264.9765 -204165.9186 2944.7715 0.0000 0.0000 51968.5182 -109894.8173 298.6638 -161863.3355 -109542.1445 298.5731 6.6603 30.9428 760146.3044 11.6770 11.6180 PRESSURE: 1581800 344.209 17.2596 140.41 17.2595 -90.3224 -147.906 140.411 -147.907 9.78698 GPRESSURE: 1581800 402.226 18.7617 203.161 1.83831 -160.925 -175.652 56.7539 -138.708 109.577 PRESSAVG: 1581800 2.51057 -12.1329 9.35798 -12.1329 -16.5957 -6.26664 9.35799 -6.2667 19.039 GPRESSAVG: 1581800 1.31878 -12.6814 9.29287 -12.9537 -15.4538 -6.19873 8.58469 -7.27383 19.0723 TIMING: 1581800 CPU: 5034.95, 0.00319491/step Wall: 5034.95, 0.00319491/step, 3.03357 hours remaining, 238.480469 MB of memory in use. ENERGY: 1581800 3950.5851 20461.3821 14468.2902 246.3894 -204068.8237 2973.2532 0.0000 0.0000 52061.3279 -109907.5957 299.1972 -161968.9236 -109548.1767 298.5759 87.8913 116.9594 759699.7481 1.6513 1.6457 PRESSURE: 1582000 312.9 106.364 -135.067 106.364 69.9088 32.2253 -135.067 32.2251 417.826 GPRESSURE: 1582000 316.044 127.709 -209.526 122.444 188.912 44.939 -227.557 122.884 358.926 PRESSAVG: 1582000 50.786 -35.4401 26.909 -35.4401 -25.9364 -23.5666 26.9091 -23.5667 -17.8197 GPRESSAVG: 1582000 50.9484 -32.8017 26.2291 -36.8936 -26.8334 -22.8543 24.7964 -24.5813 -17.7767 TIMING: 1582000 CPU: 5035.59, 0.00319857/step Wall: 5035.59, 0.00319857/step, 3.03687 hours remaining, 238.480469 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: 1582000 3992.6666 20414.0962 14425.2680 248.8821 -203447.3254 2474.3008 0.0000 0.0000 51966.3783 -109925.7335 298.6515 -161892.1118 -109573.3162 297.9281 266.8781 287.9605 760871.5687 2.3433 2.1128 PRESSURE: 1582200 157.734 -52.071 166.329 -52.072 -283.737 140.348 166.329 140.349 -166.229 GPRESSURE: 1582200 122.537 -6.86431 190.772 36.1534 -161.247 108.785 27.9887 59.1239 -153.374 PRESSAVG: 1582200 47.8621 -49.0156 55.2995 -49.0156 -68.7422 -14.3036 55.2995 -14.3036 -4.62027 GPRESSAVG: 1582200 49.511 -50.8642 54.6838 -46.5043 -69.0099 -12.318 58.9898 -15.3686 -5.90276 TIMING: 1582200 CPU: 5036.23, 0.00320918/step Wall: 5036.23, 0.00320918/step, 3.04676 hours remaining, 238.480469 MB of memory in use. ENERGY: 1582200 3989.5933 20336.8975 14531.7393 231.5065 -203848.2119 2779.2919 0.0000 0.0000 51961.1107 -110018.0727 298.6212 -161979.1834 -109656.3905 298.0222 -97.4104 -64.0279 759663.7493 -8.5001 -8.4672 PRESSURE: 1582400 125.419 -129.024 77.1927 -129.025 -369.85 -54.7232 77.1933 -54.7237 -53.686 GPRESSURE: 1582400 124.043 -143.913 76.0726 -154.312 -301.714 8.1259 -7.90411 -159.839 -37.6515 PRESSAVG: 1582400 -8.02843 -47.7658 29.0356 -47.7658 5.54355 15.9914 29.0356 15.9914 -15.5306 GPRESSAVG: 1582400 -9.03782 -47.7455 28.0487 -46.9819 5.73533 14.6032 28.5158 16.0934 -15.0842 TIMING: 1582400 CPU: 5036.87, 0.0031689/step Wall: 5036.87, 0.0031689/step, 3.00834 hours remaining, 238.480469 MB of memory in use. ENERGY: 1582400 3964.9675 20321.6370 14518.6139 256.6282 -203480.6582 2599.4751 0.0000 0.0000 52126.8996 -109692.4368 299.5740 -161819.3365 -109331.0460 298.2443 -99.3722 -71.7742 759372.3908 -6.0052 -6.1289 PRESSURE: 1582600 19.4032 -79.8827 215.297 -79.884 -119.573 -361.924 215.297 -361.925 -166.841 GPRESSURE: 1582600 -39.7794 -155.438 292.975 -166.532 -31.4943 -301.344 284.17 -337.962 -116.414 PRESSAVG: 1582600 -41.6228 12.094 -43.5015 12.0939 41.7933 -28.568 -43.5016 -28.5679 -5.33053 GPRESSAVG: 1582600 -41.2441 12.445 -40.7433 11.323 41.9502 -28.692 -44.4085 -28.5832 -5.38996 TIMING: 1582600 CPU: 5037.5, 0.00317342/step Wall: 5037.5, 0.00317342/step, 3.01246 hours remaining, 238.480469 MB of memory in use. ENERGY: 1582600 3953.0044 20474.5361 14354.9602 253.6381 -203481.2023 2501.1583 0.0000 0.0000 52062.0294 -109881.8758 299.2012 -161943.9052 -109516.1262 298.5495 -89.0036 -62.5626 760471.0207 -1.7200 -1.5613 PRESSURE: 1582800 23.4939 190.541 -292.397 190.541 444.092 183.96 -292.397 183.961 -143.551 GPRESSURE: 1582800 1.5782 124.008 -222.519 150.273 507.213 196.595 -332.036 162.443 -99.4792 PRESSAVG: 1582800 0.752046 7.29977 15.7812 7.2998 -31.3912 61.2533 15.7812 61.2534 7.74646 GPRESSAVG: 1582800 -0.253351 7.97603 14.6005 5.51247 -31.4538 59.5519 15.7873 60.9962 9.08192 TIMING: 1582800 CPU: 5038.14, 0.00318299/step Wall: 5038.14, 0.00318299/step, 3.02137 hours remaining, 238.480469 MB of memory in use. ENERGY: 1582800 3930.1852 20304.0681 14506.8862 238.2468 -203206.1298 2477.6383 0.0000 0.0000 51987.1935 -109761.9117 298.7711 -161749.1052 -109390.7689 298.3080 108.0115 136.4373 759943.0441 -7.6309 -7.5418 PRESSURE: 1583000 121.339 91.4688 40.5744 91.4681 -132.621 248.106 40.5746 248.105 -43.1818 GPRESSURE: 1583000 165.285 30.5174 54.2836 151.8 -10.6896 259.67 86.1606 252.344 -106.192 PRESSAVG: 1583000 -14.4067 8.44854 0.572641 8.44858 66.3714 63.4805 0.572712 63.4806 2.15868 GPRESSAVG: 1583000 -14.3203 8.96231 -0.953457 11.9238 66.3849 64.5595 1.75131 66.6637 1.93969 TIMING: 1583000 CPU: 5038.77, 0.00317467/step Wall: 5038.77, 0.00317467/step, 3.01329 hours remaining, 238.480469 MB of memory in use. ENERGY: 1583000 3926.9517 20385.8592 14432.3115 251.3999 -203360.5236 2329.1217 0.0000 0.0000 51971.6798 -110063.1998 298.6820 -162034.8796 -109701.3527 298.1753 -18.1547 16.1346 758746.4125 18.0411 18.0014 PRESSURE: 1583200 -79.3617 -121.822 180.79 -121.822 223.153 6.44339 180.791 6.4444 109.332 GPRESSURE: 1583200 12.6134 -69.0211 125.097 -89.102 145.292 -16.8887 230.65 -0.0886144 179.425 PRESSAVG: 1583200 56.1143 -9.13385 24.2191 -9.13387 -43.137 -12.1729 24.2191 -12.1729 6.99179 GPRESSAVG: 1583200 56.4481 -10.6789 24.2992 -10.7652 -42.4842 -13.4299 25.0484 -12.7183 5.67886 TIMING: 1583200 CPU: 5039.41, 0.00320358/step Wall: 5039.41, 0.00320358/step, 3.04056 hours remaining, 238.480469 MB of memory in use. ENERGY: 1583200 3928.6983 20451.6556 14518.1084 259.3904 -203500.4785 2643.0954 0.0000 0.0000 52007.2101 -109692.3203 298.8862 -161699.5304 -109325.3659 298.6564 84.3745 112.4435 759490.7417 6.6564 6.5476 PRESSURE: 1583400 -245.647 -24.1146 -36.1803 -24.1142 -108.024 252.189 -36.1808 252.19 25.2194 GPRESSURE: 1583400 -184.189 61.1711 56.8865 -90.4512 -75.8276 178.674 -20.63 220.776 30.1975 PRESSAVG: 1583400 -14.5511 -30.655 4.23126 -30.6551 -26.9232 5.06572 4.2313 5.0658 -4.02323 GPRESSAVG: 1583400 -15.0619 -31.122 5.50267 -30.1101 -27.7596 5.55382 2.66156 4.76372 -2.55212 TIMING: 1583400 CPU: 5040.05, 0.00318295/step Wall: 5040.05, 0.00318295/step, 3.02079 hours remaining, 238.480469 MB of memory in use. ENERGY: 1583400 4046.6412 20390.3221 14558.9262 266.2745 -203575.2263 2661.9869 0.0000 0.0000 51994.8241 -109656.2513 298.8150 -161651.0754 -109302.4672 298.5715 -109.4838 -76.6062 760096.2332 -15.1659 -15.1245 PRESSURE: 1583600 284.638 -44.0841 -6.32037 -44.0851 156.682 38.1783 -6.32178 38.1787 340.105 GPRESSURE: 1583600 439.687 48.2723 -82.3391 -85.6887 156.414 -1.15898 -122.393 -30.1769 257.587 PRESSAVG: 1583600 37.08 26.4974 -20.1531 26.4974 -33.1588 -2.63258 -20.1531 -2.63256 9.92304 GPRESSAVG: 1583600 35.7654 26.0685 -22.7489 27.2928 -31.5196 -2.10342 -18.6105 -5.4866 9.13969 TIMING: 1583600 CPU: 5040.69, 0.00318073/step Wall: 5040.69, 0.00318073/step, 3.01851 hours remaining, 238.480469 MB of memory in use. ENERGY: 1583600 3918.9806 20457.1445 14525.9609 249.9737 -203440.2079 2642.1647 0.0000 0.0000 52010.5301 -109635.4533 298.9052 -161645.9835 -109268.6520 298.6988 260.4751 284.5628 760740.6466 4.6148 4.4618 PRESSURE: 1583800 34.8138 157.898 27.1428 157.899 -156.407 -80.4972 27.1433 -80.4975 218.309 GPRESSURE: 1583800 238.708 66.3717 -17.8176 202.606 -185.232 -42.8734 140.751 -48.3645 142.926 PRESSAVG: 1583800 58.6915 -2.17062 -25.4061 -2.17058 -48.2883 12.2949 -25.4062 12.2948 -13.6848 GPRESSAVG: 1583800 59.9312 -1.72702 -22.1217 -4.05006 -48.6688 12.4966 -26.363 13.3488 -14.4677 TIMING: 1583800 CPU: 5041.32, 0.00316796/step Wall: 5041.32, 0.00316796/step, 3.00622 hours remaining, 238.480469 MB of memory in use. ENERGY: 1583800 3962.4572 20418.1735 14529.4258 250.3643 -203607.8270 2673.1041 0.0000 0.0000 52050.6645 -109723.6376 299.1359 -161774.3021 -109363.7812 298.5988 32.2384 65.4675 759225.1296 -1.0938 -1.0684 PRESSURE: 1584000 -320.142 31.9335 -51.2501 31.9326 -478.579 286.629 -51.2504 286.63 -56.3443 GPRESSURE: 1584000 -342.942 129.324 -24.1728 -64.1248 -363.022 233.743 52.4877 252.323 -70.8801 PRESSAVG: 1584000 24.3648 -49.8379 -8.59185 -49.8379 -20.8177 46.9083 -8.59182 46.9083 8.48186 GPRESSAVG: 1584000 23.8208 -48.9463 -8.70127 -48.5893 -21.788 46.7372 -10.063 47.6026 9.62722 TIMING: 1584000 CPU: 5041.96, 0.00318969/step Wall: 5041.96, 0.00318969/step, 3.02666 hours remaining, 238.480469 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: 1584000 3915.0709 20503.7909 14546.1968 247.5141 -203627.2479 2689.1785 0.0000 0.0000 52123.0265 -109602.4703 299.5517 -161725.4968 -109240.1486 298.8456 -285.0216 -258.9482 761563.2491 4.0097 3.8867 PRESSURE: 1584200 316.671 56.0173 -29.9288 56.017 139.477 4.35228 -29.9282 4.35258 152.796 GPRESSURE: 1584200 322.843 -2.65062 -77.8624 -5.85033 133.265 -2.36389 12.8715 -120.066 231.894 PRESSAVG: 1584200 24.9523 -2.43128 -2.66266 -2.43126 -11.5942 16.1669 -2.66266 16.1669 16.6438 GPRESSAVG: 1584200 24.823 -4.0078 -5.21036 -3.38833 -10.8322 14.9972 0.362271 14.3132 15.7931 TIMING: 1584200 CPU: 5042.59, 0.00318392/step Wall: 5042.59, 0.00318392/step, 3.02101 hours remaining, 238.480469 MB of memory in use. ENERGY: 1584200 4048.6427 20432.9595 14577.8447 259.7956 -203495.4232 2699.6115 0.0000 0.0000 51921.6316 -109554.9376 298.3943 -161476.5692 -109196.6108 299.1128 202.9811 229.3340 759623.5228 10.0006 9.9280 LDB: ============= START OF LOAD BALANCING ============== 5055.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5055.05 LDB: =============== DONE WITH MIGRATION ================ 5055.05 LDB: ============= START OF LOAD BALANCING ============== 5055.37 LDB: Largest compute 7060 load 0.034882 is 17.9% of average load 0.195089 LDB: Average compute 0.004395 is 2.3% of average load 0.195089 LDB: TIME 5055.37 LOAD: AVG 0.195089 MAX 0.215515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.449 MB LDB: TIME 5055.37 LOAD: AVG 0.195089 MAX 0.215515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: TIME 5055.37 LOAD: AVG 0.195089 MAX 0.215515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: ============== END OF LOAD BALANCING =============== 5055.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5055.38 PRESSURE: 1584400 -199.953 -46.1287 6.09354 -46.1292 -273.633 19.1859 6.09294 19.1864 -35.6642 GPRESSURE: 1584400 -93.059 -82.042 -80.8566 -103.699 -313.167 -73.982 130.738 1.6683 -19.3735 PRESSAVG: 1584400 65.9637 -34.1807 57.1998 -34.1808 -55.2082 29.6754 57.1998 29.6754 -14.562 GPRESSAVG: 1584400 65.64 -34.4055 58.941 -33.2571 -56.5656 29.7602 56.7012 31.6656 -12.9763 TIMING: 1584400 CPU: 5043.24, 0.00325047/step Wall: 5043.24, 0.00325047/step, 3.08397 hours remaining, 238.218750 MB of memory in use. ENERGY: 1584400 4008.9250 20417.8474 14525.7647 243.4797 -203222.3262 2576.9438 0.0000 0.0000 51918.4747 -109530.8909 298.3762 -161449.3656 -109175.8661 299.3171 -169.7502 -141.8666 760097.5327 -1.2688 -1.3006 PRESSURE: 1584600 -102.605 38.3751 -41.3954 38.3749 -364.191 149.475 -41.3952 149.474 -157.943 GPRESSURE: 1584600 -196.053 -34.4358 -65.094 -44.2664 -167.346 228.47 -34.9051 195.234 -178.142 PRESSAVG: 1584600 70.5827 2.55363 23.4339 2.55357 3.64607 51.5331 23.4339 51.5331 7.08384 GPRESSAVG: 1584600 71.1509 3.05136 22.8995 2.6504 4.21701 52.7187 21.3714 50.1069 5.95517 TIMING: 1584600 CPU: 5043.88, 0.00317103/step Wall: 5043.88, 0.00317103/step, 3.00843 hours remaining, 238.218750 MB of memory in use. ENERGY: 1584600 4076.6572 20668.8600 14493.5663 236.0004 -203421.5788 2672.6646 0.0000 0.0000 51859.8029 -109414.0273 298.0390 -161273.8302 -109063.0543 299.2968 -208.2463 -180.5135 760405.9679 27.1042 27.1077 PRESSURE: 1584800 33.09 32.4301 -26.6775 32.4299 -500.085 103.964 -26.6775 103.964 -298.007 GPRESSURE: 1584800 26.9255 101.682 16.3264 118.546 -404.542 88.4304 -179.453 274.478 -319.828 PRESSAVG: 1584800 -10.406 -16.4619 56.7645 -16.4619 20.5786 45.6171 56.7645 45.6171 -20.5943 GPRESSAVG: 1584800 -12.3879 -14.3737 57.7433 -17.1631 23.2332 44.2996 54.7705 46.0379 -21.0289 TIMING: 1584800 CPU: 5044.52, 0.00319156/step Wall: 5044.52, 0.00319156/step, 3.02773 hours remaining, 238.218750 MB of memory in use. ENERGY: 1584800 4027.2463 20406.2777 14494.2368 254.0904 -202650.0178 2200.1075 0.0000 0.0000 51705.3091 -109562.7500 297.1511 -161268.0590 -109204.2328 299.1788 -255.0007 -232.4816 762060.0944 -3.4739 -3.3945 PRESSURE: 1585000 47.0925 -250.998 67.8693 -250.999 -140.366 -89.4116 67.8692 -89.4114 288.752 GPRESSURE: 1585000 76.647 -116.091 35.5371 -109.356 -101.396 -86.3572 139.737 -34.2498 276.857 PRESSAVG: 1585000 22.0079 -71.155 -31.2498 -71.155 -36.8594 6.58886 -31.2497 6.58894 -40.6848 GPRESSAVG: 1585000 24.4627 -71.6612 -31.2403 -70.5524 -39.2366 9.26351 -28.3295 7.55086 -40.773 TIMING: 1585000 CPU: 5045.15, 0.00317012/step Wall: 5045.15, 0.00317011/step, 3.00721 hours remaining, 238.308594 MB of memory in use. ENERGY: 1585000 3956.0695 20581.4613 14528.6659 244.4836 -203278.2968 2415.2118 0.0000 0.0000 52096.1125 -109456.2921 299.3971 -161552.4047 -109100.6459 299.0556 65.1594 84.0357 759298.3307 -18.5121 -18.5156 PRESSURE: 1585200 193.907 -72.9702 -87.2459 -72.9701 -175.767 76.8014 -87.2456 76.8015 44.7873 GPRESSURE: 1585200 114.873 -274.678 -43.1501 -86.1174 -25.8036 63.2169 -26.008 50.9208 71.026 PRESSAVG: 1585200 48.7096 -63.0915 7.60455 -63.0915 -27.3374 -27.4519 7.60455 -27.4518 -14.241 GPRESSAVG: 1585200 46.5482 -65.282 7.41654 -63.0273 -26.9396 -29.4831 6.21122 -28.3388 -13.1231 TIMING: 1585200 CPU: 5045.78, 0.00316167/step Wall: 5045.78, 0.00316167/step, 2.99902 hours remaining, 238.500000 MB of memory in use. ENERGY: 1585200 4019.6853 20497.8418 14515.5781 242.6099 -202806.2755 2098.2110 0.0000 0.0000 52040.6114 -109391.7381 299.0781 -161432.3494 -109025.2506 299.1876 20.9756 53.3650 759150.6119 2.3771 2.1618 PRESSURE: 1585400 -164.117 -104.124 91.5906 -104.124 -218.894 -44.9832 91.5904 -44.9841 554.355 GPRESSURE: 1585400 -15.4998 -30.4822 135.101 -45.2906 -226.451 7.97377 87.3501 131.196 500.388 PRESSAVG: 1585400 76.7589 -49.5945 56.1462 -49.5945 -44.9151 16.9107 56.1463 16.9107 16.6958 GPRESSAVG: 1585400 77.9794 -49.7791 54.7561 -47.4319 -45.2654 17.4375 56.8254 18.0359 15.8064 TIMING: 1585400 CPU: 5046.42, 0.00317231/step Wall: 5046.42, 0.00317231/step, 3.00893 hours remaining, 238.714844 MB of memory in use. ENERGY: 1585400 3934.2872 20493.5513 14514.8457 257.2626 -202953.1026 2598.7820 0.0000 0.0000 52003.7483 -109150.6254 298.8663 -161154.3737 -108790.4895 299.6956 57.1145 86.1459 760863.6924 16.1799 16.1735 PRESSURE: 1585600 -175.963 -159.764 -66.8481 -159.764 70.0099 20.1349 -66.8478 20.1353 292.293 GPRESSURE: 1585600 -106.752 -125.771 -7.45216 -79.4005 102.962 52.9265 -0.728751 121.708 285.99 PRESSAVG: 1585600 17.8929 -86.8704 -56.0886 -86.8704 -30.4466 64.7763 -56.0885 64.7764 20.7869 GPRESSAVG: 1585600 17.8047 -84.2698 -54.142 -88.8166 -30.8818 64.1409 -56.3806 66.5607 20.967 TIMING: 1585600 CPU: 5047.05, 0.0031884/step Wall: 5047.05, 0.0031884/step, 3.02402 hours remaining, 238.714844 MB of memory in use. ENERGY: 1585600 4061.8312 20512.6941 14510.5394 245.6433 -203045.8221 2255.1098 0.0000 0.0000 52187.0296 -109272.9748 299.9196 -161460.0044 -108909.2388 299.8041 62.1135 94.0669 759544.4357 2.7444 2.6300 PRESSURE: 1585800 -262.179 209.356 -179.725 209.356 -228.651 -186.856 -179.724 -186.856 -138.455 GPRESSURE: 1585800 -227.367 149.808 -261.197 131.01 -132.543 -133.108 -115.817 -174.144 -179.258 PRESSAVG: 1585800 40.9897 -15.004 2.93497 -15.004 -35.3274 10.5498 2.935 10.5499 -15.5231 GPRESSAVG: 1585800 40.4099 -17.8217 3.88844 -14.845 -34.649 11.5287 2.89512 9.31591 -15.2617 TIMING: 1585800 CPU: 5047.69, 0.00319868/step Wall: 5047.69, 0.00319869/step, 3.0336 hours remaining, 238.714844 MB of memory in use. ENERGY: 1585800 4043.7278 20399.8779 14529.5534 240.7857 -203539.1627 2429.6576 0.0000 0.0000 52554.4307 -109341.1296 302.0310 -161895.5603 -108959.9374 299.5449 -209.7614 -179.7223 758874.3862 -3.2869 -3.1669 PRESSURE: 1586000 386.586 45.5215 154.034 45.5208 -71.6372 50.7628 154.034 50.7622 -70.6282 GPRESSURE: 1586000 381.067 187.272 111.588 -124.552 -115.305 1.53215 71.6793 -49.4023 49.5371 PRESSAVG: 1586000 44.2356 -51.9246 21.3565 -51.9247 -79.0435 -23.2476 21.3565 -23.2475 5.61426 GPRESSAVG: 1586000 44.1632 -51.894 20.756 -52.7642 -79.6789 -24.4089 21.671 -26.0986 5.58668 TIMING: 1586000 CPU: 5048.33, 0.00319358/step Wall: 5048.33, 0.00319358/step, 3.02858 hours remaining, 238.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1586000 4122.3370 20607.3495 14565.2160 234.8807 -203323.0056 2570.5086 0.0000 0.0000 51934.1439 -109288.5698 298.4662 -161222.7137 -108926.7153 300.1742 81.4403 105.0996 758175.3753 -9.7312 -9.9763 PRESSURE: 1586200 43.7139 60.5347 -3.83041 60.5352 -172.029 -38.0103 -3.83007 -38.011 -180.092 GPRESSURE: 1586200 -19.0882 26.3238 66.3626 17.9309 -123.292 -68.039 -105.554 -129.378 -83.6587 PRESSAVG: 1586200 8.62627 -51.3755 19.1422 -51.3755 31.1504 -15.1763 19.1422 -15.1764 -0.169676 GPRESSAVG: 1586200 8.37417 -50.6591 17.4872 -51.1111 31.1926 -15.7388 18.1797 -12.5451 -0.42716 TIMING: 1586200 CPU: 5048.97, 0.00319529/step Wall: 5048.97, 0.00319529/step, 3.03002 hours remaining, 238.714844 MB of memory in use. ENERGY: 1586200 3953.0397 20582.6729 14553.1274 226.3086 -203711.6029 2682.5493 0.0000 0.0000 52284.5319 -109429.3731 300.4799 -161713.9049 -109069.7215 299.8860 -102.8026 -75.3461 759366.9373 13.2023 13.0465 PRESSURE: 1586400 -366.323 -138.958 -48.3159 -138.959 -263.328 -20.8738 -48.3167 -20.8749 76.293 GPRESSURE: 1586400 -241.625 -172.374 -23.0978 -28.046 -230.231 10.8249 -1.15034 36.4413 25.8047 PRESSAVG: 1586400 7.26244 -84.1688 -11.9897 -84.1689 -11.2447 17.6717 -11.9897 17.6716 20.3921 GPRESSAVG: 1586400 7.14252 -83.6975 -11.0206 -83.1983 -11.3145 15.9772 -11.2852 17.9053 20.2395 TIMING: 1586400 CPU: 5049.61, 0.00316811/step Wall: 5049.61, 0.00316811/step, 3.00407 hours remaining, 238.714844 MB of memory in use. ENERGY: 1586400 4080.7969 20468.9755 14504.8345 255.1333 -203756.6817 2603.2198 0.0000 0.0000 52312.0412 -109531.6805 300.6380 -161843.7217 -109162.9349 299.3118 -184.4527 -148.6839 759633.6019 5.4699 5.3558 PRESSURE: 1586600 175.61 15.0714 -61.0381 15.0718 103.966 66.3751 -61.0373 66.3747 269.58 GPRESSURE: 1586600 168.039 6.04691 39.98 -114.436 217.124 96.7721 -11.6021 47.3276 228.286 PRESSAVG: 1586600 -49.3304 -79.5049 -37.551 -79.505 28.1457 -9.69059 -37.551 -9.69061 -24.0371 GPRESSAVG: 1586600 -49.6182 -80.6157 -34.3985 -79.3811 28.9512 -8.88752 -36.5693 -10.5539 -24.5563 TIMING: 1586600 CPU: 5050.24, 0.00316666/step Wall: 5050.24, 0.00316666/step, 3.00252 hours remaining, 238.714844 MB of memory in use. ENERGY: 1586600 3944.0825 20545.7021 14507.4666 264.4785 -203523.9004 2686.0561 0.0000 0.0000 51974.1995 -109601.9151 298.6964 -161576.1146 -109241.0077 298.7376 183.0521 204.4830 759771.8748 -15.0740 -15.0744 PRESSURE: 1586800 -433.33 -157 161.757 -157.001 -113.817 172.631 161.756 172.631 272.485 GPRESSURE: 1586800 -400.047 -154.862 173.662 -102.105 -4.24578 135.157 19.071 -5.93213 223.317 PRESSAVG: 1586800 -27.3981 -59.2205 65.7477 -59.2205 4.64575 -29.492 65.7478 -29.492 18.7007 GPRESSAVG: 1586800 -26.2553 -58.2748 62.6398 -60.0503 3.42814 -28.8919 64.1109 -30.3239 18.783 TIMING: 1586800 CPU: 5050.87, 0.00315849/step Wall: 5050.87, 0.00315849/step, 2.9946 hours remaining, 238.714844 MB of memory in use. ENERGY: 1586800 4027.6059 20453.1626 14585.7276 244.0773 -203284.4712 2476.6858 0.0000 0.0000 52056.7449 -109440.4670 299.1708 -161497.2119 -109078.4487 298.9115 -91.5541 -60.3253 761078.1262 -1.3506 -1.3480 PRESSURE: 1587000 -14.8205 -112.21 -148.359 -112.21 -248.789 -84.6339 -148.359 -84.6341 93.6756 GPRESSURE: 1587000 44.2945 -179.202 -139.247 -159.686 -226.847 -61.3121 -110.433 20.0588 92.5904 PRESSAVG: 1587000 54.4829 -73.6215 -34.0039 -73.6216 -38.3677 42.6583 -34.0039 42.6582 -11.8921 GPRESSAVG: 1587000 54.4209 -75.4483 -32.7476 -72.7382 -37.9484 42.2743 -32.7926 42.7955 -12.6943 TIMING: 1587000 CPU: 5051.5, 0.00316305/step Wall: 5051.5, 0.00316305/step, 2.99875 hours remaining, 238.714844 MB of memory in use. ENERGY: 1587000 3996.6908 20532.6668 14491.3444 248.2717 -203511.7596 2522.9783 0.0000 0.0000 51993.4479 -109726.3597 298.8071 -161719.8077 -109366.2059 298.8105 -56.6447 -29.9875 760437.9669 1.4077 1.2594 PRESSURE: 1587200 198.896 111.513 -1.13365 111.514 -192.03 16.6565 -1.13365 16.655 -63.2754 GPRESSURE: 1587200 211.283 80.0131 -61.4492 68.6561 -101.892 74.8266 80.4487 137.788 -94.747 PRESSAVG: 1587200 39.7796 -34.1078 25.6541 -34.1078 -34.5182 38.3895 25.6541 38.3895 -6.46226 GPRESSAVG: 1587200 39.4115 -32.894 25.3212 -34.1873 -34.2455 38.0085 25.3727 39.2841 -5.92303 TIMING: 1587200 CPU: 5052.14, 0.0031577/step Wall: 5052.14, 0.0031577/step, 2.9935 hours remaining, 238.714844 MB of memory in use. ENERGY: 1587200 4029.3266 20325.9287 14565.1505 243.0376 -203155.4953 2376.3295 0.0000 0.0000 51995.9756 -109619.7467 298.8216 -161615.7224 -109257.9021 298.9262 -18.8030 4.8813 758694.3916 -0.4003 -0.2523 PRESSURE: 1587400 76.1932 -270.118 -11.769 -270.118 -231.397 113.848 -11.7684 113.846 102.549 GPRESSURE: 1587400 125.682 -383.323 -66.1669 -263.736 -175.582 71.7142 46.9204 -2.52721 80.9464 PRESSAVG: 1587400 10.0826 -79.0551 -7.36031 -79.0552 -78.6389 76.7776 -7.36027 76.7776 -12.1639 GPRESSAVG: 1587400 10.3198 -79.7296 -8.27825 -80.5498 -77.9265 78.8633 -5.38257 76.9275 -13.0698 TIMING: 1587400 CPU: 5052.77, 0.00316844/step Wall: 5052.77, 0.00316844/step, 3.0035 hours remaining, 238.714844 MB of memory in use. ENERGY: 1587400 3939.8325 20350.7188 14441.9393 254.3975 -203328.0542 2621.6670 0.0000 0.0000 51935.1380 -109784.3611 298.4720 -161719.4991 -109413.3386 298.4803 -17.5516 10.3485 759400.8993 -26.9067 -26.8922 PRESSURE: 1587600 -97.1484 82.9571 -112.27 82.9579 -416.933 -100.212 -112.27 -100.211 -381.152 GPRESSURE: 1587600 -137.961 23.1183 -110.512 58.0681 -360.106 -98.0744 3.98413 -134.417 -295.945 PRESSAVG: 1587600 86.9711 -16.6338 -1.66775 -16.6338 -75.5462 21.7113 -1.66769 21.7112 10.0849 GPRESSAVG: 1587600 86.8821 -15.9029 -0.67346 -16.3995 -76.2495 19.7954 -0.162811 21.7562 11.2076 TIMING: 1587600 CPU: 5053.4, 0.00317391/step Wall: 5053.4, 0.00317391/step, 3.00851 hours remaining, 238.714844 MB of memory in use. ENERGY: 1587600 3985.0049 20470.3461 14542.2424 248.5842 -203125.7144 2381.5700 0.0000 0.0000 51559.4386 -109938.5283 296.3128 -161497.9668 -109584.2518 297.9624 -298.4112 -264.6705 761575.3265 7.1699 7.2801 PRESSURE: 1587800 151.858 -34.3117 -30.1395 -34.3102 63.086 33.3705 -30.1387 33.3707 4.8491 GPRESSURE: 1587800 225.728 -89.3613 -57.4314 34.2398 91.2599 13.131 -117.92 67.5436 -19.1611 PRESSAVG: 1587800 31.0188 -24.9959 19.2927 -24.9959 4.74356 35.3004 19.2926 35.3004 -8.69033 GPRESSAVG: 1587800 31.3696 -25.2846 19.5373 -24.6623 5.06241 36.2331 18.7816 34.9927 -8.6388 TIMING: 1587800 CPU: 5054.04, 0.00316805/step Wall: 5054.04, 0.00316805/step, 3.00279 hours remaining, 238.714844 MB of memory in use. ENERGY: 1587800 3994.0518 20285.7598 14509.6224 231.6333 -203648.9385 2661.8430 0.0000 0.0000 51997.0998 -109968.9285 298.8280 -161966.0283 -109604.3254 298.1618 73.2645 99.2756 760862.4496 9.0240 9.2644 PRESSURE: 1588000 -99.0575 -110.655 48.2853 -110.655 -282.875 -52.004 48.2849 -52.0044 14.7212 GPRESSURE: 1588000 -150.862 107.717 -5.80498 -79.1246 -145.774 -135.741 136.731 -132.128 7.15929 PRESSAVG: 1588000 -7.77289 -50.797 -24.9955 -50.797 4.15921 -6.03301 -24.9955 -6.033 -4.75248 GPRESSAVG: 1588000 -8.6448 -53.223 -26.775 -49.9388 5.42285 -6.57857 -27.5568 -9.30282 -5.2842 TIMING: 1588000 CPU: 5054.68, 0.00319809/step Wall: 5054.68, 0.00319809/step, 3.03108 hours remaining, 238.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1588000 3930.2368 20314.2677 14609.0002 251.7775 -203239.6456 2217.8167 0.0000 0.0000 52026.6876 -109889.8592 298.9981 -161916.5467 -109518.9850 298.7206 -122.4039 -96.4923 760400.1717 -2.7887 -2.8354 PRESSURE: 1588200 -89.4451 62.7221 257.603 62.7223 -91.9185 215.839 257.602 215.84 -42.6004 GPRESSURE: 1588200 -67.4689 80.6985 203.473 53.7355 -27.4593 243.314 326.738 183.201 -73.5622 PRESSAVG: 1588200 7.75383 12.8921 81.3931 12.8921 25.1862 -22.6797 81.3931 -22.6797 13.5494 GPRESSAVG: 1588200 8.48256 13.988 82.3481 12.1529 23.7871 -21.8997 82.1021 -22.5789 13.6844 TIMING: 1588200 CPU: 5055.31, 0.00317091/step Wall: 5055.31, 0.00317091/step, 3.00514 hours remaining, 238.714844 MB of memory in use. ENERGY: 1588200 4050.2565 20493.4443 14525.0773 223.4523 -203490.9380 2569.2862 0.0000 0.0000 51781.5873 -109847.8341 297.5895 -161629.4214 -109484.1065 298.8315 -74.6546 -56.1635 760217.3211 15.4965 15.3180 LDB: ============= START OF LOAD BALANCING ============== 5067.76 LDB: ============== END OF LOAD BALANCING =============== 5067.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5067.77 LDB: ============= START OF LOAD BALANCING ============== 5068.08 LDB: Largest compute 7060 load 0.036989 is 19.0% of average load 0.195140 LDB: Average compute 0.004408 is 2.3% of average load 0.195140 LDB: TIME 5068.09 LOAD: AVG 0.19514 MAX 0.213786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.969 MB LDB: TIME 5068.09 LOAD: AVG 0.19514 MAX 0.213786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.062 MB LDB: TIME 5068.09 LOAD: AVG 0.19514 MAX 0.213786 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.062 MB LDB: ============== END OF LOAD BALANCING =============== 5068.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5068.1 PRESSURE: 1588400 -140.748 262.401 -265.449 262.401 -36.792 -113.146 -265.449 -113.146 176.477 GPRESSURE: 1588400 -83.6517 166.746 -264.489 211.172 40.291 -91.5647 -247.541 -15.9849 130.129 PRESSAVG: 1588400 -59.328 28.0561 32.3818 28.0561 7.02957 -46.1135 32.3818 -46.1136 -7.82605 GPRESSAVG: 1588400 -59.0757 28.4151 32.6023 27.7736 7.15486 -45.2385 32.5143 -43.9368 -8.21665 TIMING: 1588400 CPU: 5055.96, 0.00324315/step Wall: 5055.96, 0.00324315/step, 3.07343 hours remaining, 238.710938 MB of memory in use. ENERGY: 1588400 3961.7664 20435.7878 14550.5588 263.1936 -203687.9137 2657.4123 0.0000 0.0000 52017.2248 -109801.9701 298.9437 -161819.1949 -109448.0602 298.8160 -0.3543 28.9228 762089.3219 -20.0415 -20.0458 PRESSURE: 1588600 344.093 66.2818 163.09 66.2809 -16.313 2.91734 163.09 2.91783 329.525 GPRESSURE: 1588600 245.128 -96.5046 156.286 19.5351 121.866 83.9206 158.9 -33.7165 361.922 PRESSAVG: 1588600 -13.7691 -40.1339 24.9896 -40.134 42.6386 -31.3804 24.9896 -31.3804 0.557014 GPRESSAVG: 1588600 -14.234 -39.0415 26.6955 -40.3891 42.3787 -33.5665 23.1892 -29.0264 1.69693 TIMING: 1588600 CPU: 5056.59, 0.00317069/step Wall: 5056.59, 0.00317069/step, 3.00458 hours remaining, 238.710938 MB of memory in use. ENERGY: 1588600 3962.3081 20553.4012 14572.0722 243.1670 -203688.4132 2756.1059 0.0000 0.0000 51902.5596 -109698.7992 298.2847 -161601.3588 -109331.9801 298.7945 219.1017 242.9719 761530.5045 9.8088 9.9472 PRESSURE: 1588800 194.125 -18.3844 -48.3844 -18.3853 -28.5819 335.753 -48.3841 335.753 -162.112 GPRESSURE: 1588800 176.357 35.8241 -45.6483 -66.577 -46.5554 235.572 108.462 250.139 -49.0361 PRESSAVG: 1588800 6.15007 -22.6964 30.0816 -22.6965 -25.4731 6.88155 30.0816 6.88154 28.7057 GPRESSAVG: 1588800 6.77935 -23.9265 28.2629 -22.3423 -25.8835 5.92681 33.3104 6.63432 28.1104 TIMING: 1588800 CPU: 5057.22, 0.0031518/step Wall: 5057.22, 0.0031518/step, 2.98651 hours remaining, 238.710938 MB of memory in use. ENERGY: 1588800 3967.9003 20554.0560 14524.8507 234.5410 -203579.1230 2475.1438 0.0000 0.0000 52113.7165 -109708.9147 299.4982 -161822.6313 -109344.4445 298.5215 1.1435 26.9217 759863.3463 3.1276 3.0021 PRESSURE: 1589000 176.602 -180.89 -112.06 -180.89 -221.954 -29.0241 -112.06 -29.0244 120.946 GPRESSURE: 1589000 227.993 -198.558 -60.3939 -143.029 -201.715 -36.0048 -222.149 -72.9 121.517 PRESSAVG: 1589000 -28.4805 -52.3154 -15.1429 -52.3154 31.8446 42.9389 -15.1429 42.9389 18.7258 GPRESSAVG: 1589000 -29.0038 -50.0384 -14.6756 -53.9855 33.0589 43.8109 -16.882 41.0432 18.5493 TIMING: 1589000 CPU: 5057.86, 0.0031657/step Wall: 5057.86, 0.0031657/step, 2.9995 hours remaining, 238.710938 MB of memory in use. ENERGY: 1589000 3999.0315 20714.1273 14539.5767 254.4110 -203883.0116 2778.8039 0.0000 0.0000 51931.5268 -109665.5344 298.4512 -161597.0613 -109315.8351 299.2335 25.1979 49.2651 759126.8550 7.3633 7.5348 PRESSURE: 1589200 -82.5076 118.013 13.1484 118.013 -465.981 -17.7297 13.148 -17.7289 -3.69665 GPRESSURE: 1589200 -98.7845 123.004 59.8157 32.103 -467.981 7.38896 -15.9479 -119.421 108.635 PRESSAVG: 1589200 7.53932 -63.4485 -15.2127 -63.4485 -25.035 -10.5134 -15.2127 -10.5134 -1.13074 GPRESSAVG: 1589200 8.64539 -65.13 -16.1653 -61.7344 -26.5252 -10.7732 -15.1731 -8.97111 -0.545456 TIMING: 1589200 CPU: 5058.5, 0.00319498/step Wall: 5058.5, 0.00319498/step, 3.02707 hours remaining, 238.710938 MB of memory in use. ENERGY: 1589200 3981.4606 20407.6238 14557.7515 260.0089 -203477.2156 2405.1965 0.0000 0.0000 52184.1498 -109681.0244 299.9030 -161865.1742 -109314.4764 299.0477 -184.0617 -152.7102 758922.3917 -6.2088 -6.1418 PRESSURE: 1589400 98.5522 -196.644 13.1015 -196.644 -6.7347 194.134 13.1009 194.135 -250.395 GPRESSURE: 1589400 12.0823 -144.06 59.773 -239.263 167.071 131.124 89.7049 2.85312 -269.672 PRESSAVG: 1589400 26.7037 -56.4472 68.0848 -56.4472 -35.4726 -17.2516 68.0848 -17.2516 4.18255 GPRESSAVG: 1589400 25.623 -56.1715 69.8331 -57.4643 -33.9345 -16.239 66.3277 -17.9206 3.92344 TIMING: 1589400 CPU: 5059.13, 0.00317865/step Wall: 5059.13, 0.00317865/step, 3.01142 hours remaining, 238.710938 MB of memory in use. ENERGY: 1589400 4007.6068 20513.6089 14542.4831 255.5044 -203812.4453 2650.4853 0.0000 0.0000 52290.8838 -109551.8730 300.5164 -161842.7568 -109177.6941 298.9407 -52.8592 -30.1726 760564.5559 -1.5288 -1.4627 PRESSURE: 1589600 18.8526 -120.685 50.8947 -120.685 228.797 -104.606 50.8942 -104.605 -65.335 GPRESSURE: 1589600 104.176 -133.886 27.8545 -158.567 179.252 -109.369 107.611 -63.2963 -27.8128 PRESSAVG: 1589600 -38.0613 -69.6455 -6.33592 -69.6455 43.5245 -48.1236 -6.33593 -48.1236 14.8994 GPRESSAVG: 1589600 -37.8826 -70.9323 -6.09045 -67.4689 44.1805 -49.6811 -5.69809 -49.0061 14.4589 TIMING: 1589600 CPU: 5059.77, 0.00319137/step Wall: 5059.77, 0.00319137/step, 3.0233 hours remaining, 238.710938 MB of memory in use. ENERGY: 1589600 3922.3611 20688.7176 14509.7521 246.7333 -203425.0072 2515.7691 0.0000 0.0000 52177.7607 -109363.9133 299.8663 -161541.6740 -108998.6558 299.9815 60.7715 85.2050 759732.8249 6.7876 6.9189 PRESSURE: 1589800 71.7705 209.083 150.559 209.083 201.857 276.449 150.56 276.448 -316.245 GPRESSURE: 1589800 142.838 192.135 97.0971 199.077 124.917 297.004 117.182 215.091 -228.714 PRESSAVG: 1589800 35.7641 -86.0034 0.728069 -86.0033 -40.886 -26.4966 0.728142 -26.4964 -3.66614 GPRESSAVG: 1589800 37.4179 -85.2698 -0.449956 -90.3012 -42.7963 -25.5391 2.39174 -25.4279 -3.14037 TIMING: 1589800 CPU: 5060.41, 0.00317724/step Wall: 5060.41, 0.00317724/step, 3.00973 hours remaining, 238.710938 MB of memory in use. ENERGY: 1589800 3992.9121 20555.0074 14544.7952 254.0489 -203564.4476 2622.9963 0.0000 0.0000 52158.0665 -109436.6214 299.7531 -161594.6878 -109068.1927 299.7776 -14.2056 13.0134 761698.0713 -2.9294 -2.8396 PRESSURE: 1590000 -154.416 -228.692 35.5193 -228.693 -91.4658 78.0779 35.5191 78.0783 -25.0218 GPRESSURE: 1590000 -148.545 -216.079 87.2159 -140.693 -9.02381 37.2175 122.446 37.9987 -33.7578 PRESSAVG: 1590000 22.2549 -25.9836 -26.5194 -25.9836 -6.38108 -21.9614 -26.5194 -21.9614 17.6581 GPRESSAVG: 1590000 21.4923 -25.4267 -25.9215 -22.8597 -5.41026 -22.6259 -27.6025 -22.1796 17.571 TIMING: 1590000 CPU: 5061.04, 0.00317576/step Wall: 5061.04, 0.00317576/step, 3.00815 hours remaining, 238.710938 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: 1590000 4053.0595 20698.3033 14490.3936 240.2421 -203173.4847 2491.3337 0.0000 0.0000 51878.9275 -109321.2252 298.1489 -161200.1527 -108966.3491 299.8852 -90.3012 -63.7755 760879.1081 11.1773 11.2177 PRESSURE: 1590200 -105.142 -19.6042 -112.876 -19.6053 137.762 -176.005 -112.876 -176.005 249.299 GPRESSURE: 1590200 -42.1137 59.8272 -113.299 -12.5834 154.535 -194.019 -127.689 -226.183 261.903 PRESSAVG: 1590200 -21.1093 -59.3693 -2.28107 -59.3693 2.52534 -20.1743 -2.28106 -20.1743 17.6472 GPRESSAVG: 1590200 -21.1848 -58.7829 -2.69403 -61.6316 0.994498 -19.5579 -0.713395 -21.4113 19.1858 TIMING: 1590200 CPU: 5061.68, 0.00317685/step Wall: 5061.68, 0.00317685/step, 3.00901 hours remaining, 238.710938 MB of memory in use. ENERGY: 1590200 3927.0166 20691.3420 14519.0763 258.5830 -203083.6695 2371.0674 0.0000 0.0000 51823.5868 -109492.9975 297.8309 -161316.5843 -109124.4551 299.8218 93.9729 124.7746 761361.3438 -0.3122 -0.3348 PRESSURE: 1590400 -199.536 -142.913 -8.0943 -142.913 124.029 -20.0212 -8.0945 -20.0198 -10.2416 GPRESSURE: 1590400 -125.836 -212.948 -17.3555 -77.5229 157.184 2.49059 -19.6078 -186.236 -24.0096 PRESSAVG: 1590400 -88.3596 -41.4398 -21.3758 -41.4397 39.3919 -108.221 -21.3759 -108.221 8.39087 GPRESSAVG: 1590400 -88.5981 -42.7502 -21.4285 -41.6839 40.6071 -110.046 -22.6407 -104.587 7.41183 TIMING: 1590400 CPU: 5062.31, 0.00317006/step Wall: 5062.31, 0.00317006/step, 3.0024 hours remaining, 238.710938 MB of memory in use. ENERGY: 1590400 4016.9269 20505.7670 14500.3898 268.0802 -203798.9716 2735.5313 0.0000 0.0000 52323.6039 -109448.6727 300.7045 -161772.2765 -109080.0743 299.4785 -28.5829 2.4462 761953.3689 -13.5256 -13.5264 PRESSURE: 1590600 -452.38 -177.965 -125.082 -177.965 -32.2983 -60.6505 -125.081 -60.652 51.3153 GPRESSURE: 1590600 -377.812 -140.404 -101.438 -193.825 -24.999 -35.4042 -144.315 49.793 40.8158 PRESSAVG: 1590600 6.40129 -24.8558 -18.9506 -24.8559 32.8323 -70.0127 -18.9506 -70.0126 2.72281 GPRESSAVG: 1590600 6.02909 -25.3771 -18.0139 -24.4756 31.8399 -68.9455 -19.0772 -74.9634 3.92382 TIMING: 1590600 CPU: 5062.95, 0.00317784/step Wall: 5062.95, 0.00317784/step, 3.00959 hours remaining, 238.710938 MB of memory in use. ENERGY: 1590600 4034.8969 20705.5318 14534.9809 262.8513 -203763.1165 2688.8158 0.0000 0.0000 52310.6269 -109225.4129 300.6299 -161536.0398 -108860.5693 299.9767 -144.4543 -120.6651 760291.7110 13.9855 13.9310 PRESSURE: 1590800 -294.373 -43.0863 172.178 -43.0864 -109.657 -163.438 172.178 -163.439 30.8277 GPRESSURE: 1590800 -268.933 -98.1754 104 -21.9923 -53.2234 -149.394 177.068 -125.657 29.6694 PRESSAVG: 1590800 -36.922 -26.2533 -4.54621 -26.2534 4.98775 9.11138 -4.54619 9.11134 -28.6171 GPRESSAVG: 1590800 -36.3865 -26.3681 -5.69358 -26.0642 6.17157 8.6293 -5.49319 11.8621 -30.5065 TIMING: 1590800 CPU: 5063.58, 0.00316398/step Wall: 5063.58, 0.00316398/step, 2.99629 hours remaining, 238.710938 MB of memory in use. ENERGY: 1590800 4085.2515 20699.6786 14467.1700 247.3619 -203485.1902 2553.5330 0.0000 0.0000 52207.0342 -109225.1612 300.0345 -161432.1953 -108865.5092 300.2862 -124.4009 -97.4956 760562.2253 -20.1838 -20.2405 PRESSURE: 1591000 7.58298 84.0475 -63.3524 84.0471 -57.488 60.1519 -63.3525 60.1521 -59.4179 GPRESSURE: 1591000 -41.0577 100.754 21.5847 62.114 84.8058 104.068 -22.1966 -23.0465 -68.4262 PRESSAVG: 1591000 -27.5263 -76.9187 20.1891 -76.9187 41.7262 17.2869 20.1891 17.2869 10.7005 GPRESSAVG: 1591000 -28.8746 -77.5333 19.743 -77.419 41.3766 17.4287 22.8484 17.7701 12.4411 TIMING: 1591000 CPU: 5064.21, 0.00316681/step Wall: 5064.21, 0.00316681/step, 2.99879 hours remaining, 238.710938 MB of memory in use. ENERGY: 1591000 4015.0475 20627.7172 14574.4600 256.3084 -203388.9286 2634.6183 0.0000 0.0000 52040.0581 -109240.7193 299.0749 -161280.7773 -108879.8219 300.5974 -36.4410 -8.2261 759378.8692 8.3001 8.3144 PRESSURE: 1591200 336.613 -274.883 61.7737 -274.883 -119.044 -22.8407 61.7732 -22.8415 -9.94374 GPRESSURE: 1591200 340.936 -349.356 144.169 -220.689 -39.1264 -91.6476 69.9071 -72.9421 -20.5016 PRESSAVG: 1591200 -20.2787 -91.2044 40.078 -91.2045 11.4701 36.7697 40.0779 36.7697 -3.6547 GPRESSAVG: 1591200 -20.4256 -90.457 42.6962 -91.3436 11.4627 37.5958 39.2905 35.9551 -3.65174 TIMING: 1591200 CPU: 5064.85, 0.0032007/step Wall: 5064.85, 0.0032007/step, 3.03071 hours remaining, 238.710938 MB of memory in use. ENERGY: 1591200 4047.8795 20634.6948 14517.3100 229.7539 -203297.1760 2583.6937 0.0000 0.0000 51977.5082 -109306.3358 298.7155 -161283.8441 -108943.4065 300.0803 69.2084 93.7694 759708.4599 -4.1544 -4.2049 PRESSURE: 1591400 64.303 12.5695 68.953 12.5699 217.623 153.673 68.9524 153.674 259.686 GPRESSURE: 1591400 196.313 46.3164 4.99105 -49.0562 291.542 168.425 -31.452 210.711 124.967 PRESSAVG: 1591400 -34.2027 -53.996 -19.6777 -53.996 12.6555 21.6882 -19.6777 21.6882 19.3138 GPRESSAVG: 1591400 -32.5121 -54.6165 -20.785 -55.5371 12.6103 21.9202 -21.5768 19.5479 17.7488 TIMING: 1591400 CPU: 5065.48, 0.00315922/step Wall: 5065.48, 0.00315922/step, 2.99125 hours remaining, 238.710938 MB of memory in use. ENERGY: 1591400 3998.3969 20454.1515 14457.7006 237.0811 -203816.0895 2832.6745 0.0000 0.0000 52257.2032 -109578.8818 300.3229 -161836.0849 -109203.9089 299.4986 180.5373 204.2741 760255.4643 -0.7445 -0.7176 PRESSURE: 1591600 162.791 92.9073 -112.727 92.9073 -123.814 -42.8439 -112.726 -42.8431 106.024 GPRESSURE: 1591600 108.542 72.8921 -110.011 8.82261 -81.3191 -106.064 -181.769 -59.795 195.68 PRESSAVG: 1591600 -3.19602 -43.501 7.22866 -43.5009 42.5692 -10.2238 7.22868 -10.2236 3.65225 GPRESSAVG: 1591600 -2.51051 -42.5825 7.77718 -40.8349 41.2963 -10.9576 9.45369 -7.10267 4.01287 TIMING: 1591600 CPU: 5066.12, 0.00318929/step Wall: 5066.12, 0.00318929/step, 3.01955 hours remaining, 238.710938 MB of memory in use. ENERGY: 1591600 3952.3774 20585.2610 14483.6700 247.6365 -203662.0121 2643.8925 0.0000 0.0000 52058.7695 -109690.4053 299.1825 -161749.1748 -109344.3347 299.0367 48.3337 74.3010 758415.5344 14.3418 14.2662 PRESSURE: 1591800 -169.694 -98.716 15.9122 -98.7157 -100.562 -62.3292 15.912 -62.3293 -219.548 GPRESSURE: 1591800 -15.6811 -49.4885 19.3155 -198.915 -181.319 -48.8025 -53.8886 -71.3635 -205.235 PRESSAVG: 1591800 9.62162 -38.7986 17.4753 -38.7986 -6.72571 -48.5569 17.4752 -48.5569 27.5679 GPRESSAVG: 1591800 9.61342 -38.3956 17.5861 -39.543 -7.07855 -50.1535 19.0544 -51.1033 28.3513 TIMING: 1591800 CPU: 5066.75, 0.00316298/step Wall: 5066.75, 0.00316298/step, 2.99446 hours remaining, 238.710938 MB of memory in use. ENERGY: 1591800 4003.8102 20650.3941 14393.7098 262.2573 -203641.0892 2544.4564 0.0000 0.0000 52082.1034 -109704.3580 299.3166 -161786.4614 -109340.4554 299.3063 -163.2682 -134.0783 759024.6651 10.1546 10.2954 PRESSURE: 1592000 -247.145 -3.08391 -191.333 -3.08353 -147.022 176.346 -191.333 176.345 198.054 GPRESSURE: 1592000 -173.475 45.508 -175.689 23.5024 -146.752 158.904 -235.079 65.6543 202.124 PRESSAVG: 1592000 5.43432 -114.493 -38.0561 -114.493 -29.3819 -28.8966 -38.056 -28.8966 5.80252 GPRESSAVG: 1592000 5.41452 -116.207 -38.374 -113.584 -28.6842 -26.7531 -38.7831 -27.9575 5.02314 TIMING: 1592000 CPU: 5067.39, 0.00317172/step Wall: 5067.39, 0.00317172/step, 3.00256 hours remaining, 238.710938 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: 1592000 4107.8428 20545.3406 14410.7345 253.2898 -203801.3357 2596.7412 0.0000 0.0000 52241.2585 -109646.1284 300.2312 -161887.3869 -109283.3833 299.3055 -65.3713 -39.3677 757729.0504 -6.0484 -6.0822 PRESSURE: 1592200 427.11 -152.169 -138.754 -152.169 81.4915 -112.124 -138.754 -112.124 -184.518 GPRESSURE: 1592200 419.28 -111.138 -204.274 -130.663 91.6503 -85.8791 -103.468 -62.7793 -118.454 PRESSAVG: 1592200 87.7119 -16.6226 1.07424 -16.6226 -35.9335 -56.6851 1.07424 -56.6851 3.41617 GPRESSAVG: 1592200 86.9222 -14.3437 2.05582 -18.0163 -35.4461 -55.9011 0.60446 -55.7779 3.5213 TIMING: 1592200 CPU: 5068.02, 0.00315725/step Wall: 5068.02, 0.00315725/step, 2.98868 hours remaining, 238.710938 MB of memory in use. ENERGY: 1592200 3988.6483 20454.3044 14534.8967 278.9157 -203711.2974 2696.2838 0.0000 0.0000 52146.6054 -109611.6431 299.6873 -161758.2485 -109242.2069 299.3227 108.0277 130.8253 758297.8901 18.3982 18.3325 LDB: ============= START OF LOAD BALANCING ============== 5080.47 LDB: ============== END OF LOAD BALANCING =============== 5080.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5080.47 LDB: ============= START OF LOAD BALANCING ============== 5080.79 LDB: Largest compute 7078 load 0.034433 is 17.6% of average load 0.195129 LDB: Average compute 0.004401 is 2.3% of average load 0.195129 LDB: TIME 5080.79 LOAD: AVG 0.195129 MAX 0.215008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.77 MB LDB: TIME 5080.79 LOAD: AVG 0.195129 MAX 0.215008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.84 MB LDB: TIME 5080.79 LOAD: AVG 0.195129 MAX 0.215008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.84 MB LDB: ============== END OF LOAD BALANCING =============== 5080.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5080.8 PRESSURE: 1592400 157.783 168.784 184.403 168.784 79.8923 161.881 184.404 161.879 61.4285 GPRESSURE: 1592400 205.633 89.3257 122.566 20.2947 171.971 140.886 204.304 143.083 17.9153 PRESSAVG: 1592400 28.131 3.82371 14.6568 3.82377 31.3352 14.6475 14.6568 14.6474 20.8759 GPRESSAVG: 1592400 30.4196 1.4714 13.4259 4.92353 30.004 15.2295 13.8429 11.483 19.3246 TIMING: 1592400 CPU: 5068.67, 0.00322907/step Wall: 5068.67, 0.00322907/step, 3.05649 hours remaining, 237.488281 MB of memory in use. ENERGY: 1592400 3979.5723 20395.8098 14497.0086 234.4962 -203182.2110 2490.1703 0.0000 0.0000 51937.8630 -109647.2907 298.4876 -161585.1537 -109275.9918 299.3940 99.7013 131.8400 759506.2185 26.7807 26.5827 PRESSURE: 1592600 141.892 -119.25 -145.963 -119.251 200.297 -372.134 -145.963 -372.134 209.803 GPRESSURE: 1592600 170.602 54.3235 -119.26 -186.189 269.596 -295.277 -219.157 -152.505 201.35 PRESSAVG: 1592600 1.94385 -24.3007 56.2058 -24.3008 13.642 -30.8056 56.2058 -30.8056 10.1475 GPRESSAVG: 1592600 -0.943407 -22.6034 56.3604 -23.3141 16.0103 -31.5405 57.3379 -28.6346 10.4417 TIMING: 1592600 CPU: 5069.3, 0.00315345/step Wall: 5069.3, 0.00315345/step, 2.98474 hours remaining, 237.488281 MB of memory in use. ENERGY: 1592600 3938.6993 20418.0578 14474.4533 252.7868 -203664.7733 2876.8512 0.0000 0.0000 52012.9298 -109690.9950 298.9190 -161703.9248 -109331.6127 298.7667 183.9974 213.8495 759736.9587 8.5778 8.5029 PRESSURE: 1592800 87.2297 -1.26733 69.9584 -1.26582 -65.6891 13.7887 69.9581 13.7889 -143.105 GPRESSURE: 1592800 57.9195 -6.37121 124.967 14.408 -18.6556 30.6293 41.7784 78.0075 -69.2737 PRESSAVG: 1592800 46.3853 11.8805 -6.46638 11.8806 -46.0371 -26.8765 -6.46634 -26.8765 4.39443 GPRESSAVG: 1592800 46.9824 10.2268 -5.02876 11.3231 -46.7227 -27.2015 -9.21638 -24.5484 4.60264 TIMING: 1592800 CPU: 5069.93, 0.00315758/step Wall: 5069.93, 0.00315758/step, 2.98847 hours remaining, 237.488281 MB of memory in use. ENERGY: 1592800 3980.2693 20441.7042 14474.5658 250.1536 -203239.1033 2528.2494 0.0000 0.0000 52088.2407 -109475.9202 299.3518 -161564.1609 -109120.9986 298.9322 -40.5216 -10.0033 762181.4554 1.5809 1.6208 PRESSURE: 1593000 278.42 150.182 -12.0207 150.182 174.167 105.984 -12.0214 105.984 -114.895 GPRESSURE: 1593000 149.935 130.457 -64.7681 135.873 308.536 104.43 65.1492 39.1205 -19.0964 PRESSAVG: 1593000 45.425 1.9917 23.1735 1.99169 -29.2362 -43.0783 23.1736 -43.0783 2.82882 GPRESSAVG: 1593000 44.475 3.9357 23.1329 1.48285 -28.8571 -41.4476 25.0133 -45.0021 2.3975 TIMING: 1593000 CPU: 5070.56, 0.00314534/step Wall: 5070.56, 0.00314534/step, 2.97672 hours remaining, 237.488281 MB of memory in use. ENERGY: 1593000 4001.5192 20540.4457 14477.7162 244.1528 -203708.1566 2793.4745 0.0000 0.0000 52065.5714 -109585.2768 299.2216 -161650.8482 -109218.1080 299.3872 112.5641 146.4581 761419.1204 6.3392 6.0052 PRESSURE: 1593200 34.9932 -88.9937 143.5 -88.9941 -128.613 14.3362 143.5 14.3372 -190.819 GPRESSURE: 1593200 134.987 -49.9791 168.711 -147.281 -141.259 -83.3662 154.807 84.3235 -177.126 PRESSAVG: 1593200 49.1213 -16.8279 48.8123 -16.828 -26.0949 -11.6106 48.8123 -11.6106 -4.8231 GPRESSAVG: 1593200 49.348 -19.1311 47.6049 -16.5315 -27.3331 -13.0359 48.6096 -11.9051 -3.60936 TIMING: 1593200 CPU: 5071.19, 0.00316239/step Wall: 5071.19, 0.00316238/step, 2.99267 hours remaining, 237.488281 MB of memory in use. ENERGY: 1593200 4049.9656 20507.6206 14549.9680 230.8037 -203178.5090 2341.3954 0.0000 0.0000 51834.7443 -109664.0114 297.8950 -161498.7557 -109308.2008 299.2595 -94.8131 -61.1324 760996.1991 6.0678 6.1352 PRESSURE: 1593400 41.4941 -174.932 10.4176 -174.931 -184.346 -111.961 10.4187 -111.961 36.7051 GPRESSURE: 1593400 68.9042 -6.72367 117.704 -147.701 -152.665 -47.7019 6.1575 -101.587 60.5639 PRESSAVG: 1593400 -10.5557 35.3753 22.9804 35.3753 -23.8237 54.0128 22.9804 54.0128 15.4438 GPRESSAVG: 1593400 -9.62859 37.0101 24.2032 36.3216 -23.8296 53.672 22.2861 56.153 15.1879 TIMING: 1593400 CPU: 5071.82, 0.00316983/step Wall: 5071.82, 0.00316984/step, 2.99954 hours remaining, 237.488281 MB of memory in use. ENERGY: 1593400 4016.7088 20456.0531 14537.8638 237.5160 -203439.9146 2455.6516 0.0000 0.0000 52080.6285 -109655.4929 299.3081 -161736.1214 -109299.8453 298.8129 -35.3823 -7.7322 761634.5845 -6.3119 -6.0901 PRESSURE: 1593600 143.294 230.063 -196.991 230.064 253.422 2.55509 -196.99 2.5558 -128.516 GPRESSURE: 1593600 147.194 76.0508 -164.505 142.533 364.265 72.3178 -235.207 -68.4629 -168.715 PRESSAVG: 1593600 -6.97261 41.5132 7.85772 41.5133 -8.44413 -23.5161 7.85774 -23.5161 11.6266 GPRESSAVG: 1593600 -7.2019 40.2951 7.87092 40.0049 -8.0001 -24.9969 5.77159 -24.8867 11.2964 TIMING: 1593600 CPU: 5072.46, 0.00317031/step Wall: 5072.46, 0.00317031/step, 2.99982 hours remaining, 237.488281 MB of memory in use. ENERGY: 1593600 3965.4510 20497.8680 14509.5803 239.7717 -203319.7165 2492.5610 0.0000 0.0000 52138.1997 -109476.2849 299.6390 -161614.4845 -109121.5015 299.1393 89.4001 114.2479 760852.8520 -1.2634 -1.3019 PRESSURE: 1593800 -83.6693 -130.917 -32.0279 -130.917 -67.8492 -102.877 -32.0275 -102.878 259.084 GPRESSURE: 1593800 -54.1928 -240.853 -3.436 -98.5896 -12.7948 -187.238 84.363 -66.3747 276.399 PRESSAVG: 1593800 -9.52717 -18.6012 3.06711 -18.6012 21.8246 7.87989 3.06711 7.87981 4.63632 GPRESSAVG: 1593800 -10.1123 -18.3755 2.62736 -19.422 22.52 9.26227 5.33216 7.9993 4.72065 TIMING: 1593800 CPU: 5073.09, 0.00317418/step Wall: 5073.09, 0.00317418/step, 3.00331 hours remaining, 237.488281 MB of memory in use. ENERGY: 1593800 3985.5836 20465.0910 14466.0283 265.2765 -203435.4404 2702.9669 0.0000 0.0000 52109.3708 -109441.1233 299.4733 -161550.4941 -109081.8649 298.9700 35.8553 69.8038 760820.3694 5.6446 5.7095 PRESSURE: 1594000 -330.816 3.38599 124.558 3.38624 -18.1959 -21.418 124.558 -21.4176 -105.569 GPRESSURE: 1594000 -232.878 -40.643 122.73 58.7925 -163.694 -77.7231 9.45723 54.9185 35.5943 PRESSAVG: 1594000 -28.8313 5.5833 -23.5865 5.58329 40.1106 18.3156 -23.5866 18.3156 -12.9035 GPRESSAVG: 1594000 -27.7553 7.28233 -24.6958 5.23306 38.8121 18.3503 -22.1173 18.0012 -13.1602 TIMING: 1594000 CPU: 5073.72, 0.00315435/step Wall: 5073.72, 0.00315435/step, 2.98436 hours remaining, 237.488281 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: 1594000 3875.4854 20489.3828 14502.4603 250.9482 -203203.2156 2432.6186 0.0000 0.0000 51893.6773 -109758.6430 298.2337 -161652.3203 -109394.9377 298.3277 -151.5271 -120.3260 762202.8734 -0.5414 -0.7011 PRESSURE: 1594200 483.291 44.4167 113.631 44.4178 526.043 51.3549 113.632 51.3545 381.117 GPRESSURE: 1594200 458.181 -77.7362 140 147.386 596.242 54.2487 91.6085 18.2934 418.685 PRESSAVG: 1594200 7.59676 15.8655 24.0693 15.8655 14.3376 -16.4632 24.0693 -16.4633 15.3445 GPRESSAVG: 1594200 7.16292 14.0036 25.178 17.5394 13.6694 -16.5766 23.6962 -13.9381 16.3629 TIMING: 1594200 CPU: 5074.36, 0.00316609/step Wall: 5074.36, 0.00316609/step, 2.9953 hours remaining, 237.488281 MB of memory in use. ENERGY: 1594200 3971.2326 20497.4049 14457.2936 225.9771 -203288.2163 2591.3974 0.0000 0.0000 52045.1557 -109499.7549 299.1042 -161544.9106 -109136.9079 298.6522 463.4836 491.0359 759627.1962 12.4263 12.3984 PRESSURE: 1594400 -81.6347 69.2037 -101.281 69.2033 -9.05429 -289.414 -101.281 -289.413 178 GPRESSURE: 1594400 49.7058 132.044 -117.663 49.4238 -35.8299 -283.937 -51.7469 -187.446 151.434 PRESSAVG: 1594400 -63.9935 -4.06613 -23.3229 -4.06609 70.3893 -23.713 -23.3228 -23.713 -14.4778 GPRESSAVG: 1594400 -63.3134 -2.31296 -23.6533 -5.19313 71.7447 -22.6414 -22.6038 -25.9377 -16.8172 TIMING: 1594400 CPU: 5074.99, 0.00317599/step Wall: 5074.99, 0.00317599/step, 3.00449 hours remaining, 237.488281 MB of memory in use. ENERGY: 1594400 3906.3401 20547.1176 14527.7198 240.6324 -203185.6362 2345.9284 0.0000 0.0000 52281.5371 -109336.3608 300.4627 -161617.8979 -108976.6490 298.9182 29.1038 55.1033 761732.8024 -2.6940 -2.7953 PRESSURE: 1594600 -94.6563 -100.406 -370.931 -100.406 -260.776 -341.32 -370.931 -341.32 -240.252 GPRESSURE: 1594600 -101.828 -85.931 -270.081 -149.168 -303.507 -357.426 -308.575 -343.202 -118.476 PRESSAVG: 1594600 22.1774 -69.3205 -88.4002 -69.3204 -4.30444 -17.063 -88.4002 -17.063 7.89999 GPRESSAVG: 1594600 20.7634 -69.4118 -88.74 -69.4712 -3.795 -17.7203 -89.2713 -15.2436 8.10978 TIMING: 1594600 CPU: 5075.63, 0.00317037/step Wall: 5075.63, 0.00317037/step, 2.99899 hours remaining, 237.488281 MB of memory in use. ENERGY: 1594600 4007.2628 20525.7308 14506.4241 241.6159 -202912.6058 2308.1052 0.0000 0.0000 52022.8388 -109300.6281 298.9760 -161323.4669 -108935.8739 299.5180 -198.5614 -174.6039 761971.7756 8.5910 8.3594 PRESSURE: 1594800 151.547 86.0059 38.331 86.0056 103.45 116.844 38.3306 116.844 -122.861 GPRESSURE: 1594800 156.832 84.617 110.808 154.756 204.083 85.2165 63.669 7.47009 -145.416 PRESSAVG: 1594800 6.12772 -87.5661 -59.2708 -87.5661 1.45127 26.3171 -59.2709 26.3171 -3.23147 GPRESSAVG: 1594800 6.69267 -87.3597 -60.0538 -84.8403 0.621668 25.9252 -60.1122 23.822 -2.7914 TIMING: 1594800 CPU: 5076.25, 0.0031394/step Wall: 5076.25, 0.0031394/step, 2.96952 hours remaining, 237.488281 MB of memory in use. ENERGY: 1594800 3950.0784 20600.4725 14480.6069 244.5734 -203178.8202 2477.7622 0.0000 0.0000 52246.5299 -109178.7969 300.2615 -161425.3269 -108809.8747 299.4799 44.0449 71.8329 761770.5858 1.4492 1.5076 PRESSURE: 1595000 276.917 -241.892 -24.6319 -241.891 258.582 8.24942 -24.6324 8.24868 244.26 GPRESSURE: 1595000 243.399 -335.652 16.8069 -284.612 296.518 29.7442 33.1709 -15.3284 315.597 PRESSAVG: 1595000 -20.2507 -86.4143 -40.362 -86.4143 28.3227 10.8393 -40.362 10.8393 8.93963 GPRESSAVG: 1595000 -20.9531 -86.4667 -40.0087 -88.1012 28.867 11.7448 -38.3296 12.9948 9.62921 TIMING: 1595000 CPU: 5076.89, 0.00317034/step Wall: 5076.89, 0.00317034/step, 2.99861 hours remaining, 237.488281 MB of memory in use. ENERGY: 1595000 3976.7008 20675.3319 14554.5738 226.8481 -203576.2637 2651.1325 0.0000 0.0000 52296.4304 -109195.2462 300.5483 -161491.6766 -108835.8865 300.4370 259.9196 285.1713 760313.0759 5.6706 5.8477 PRESSURE: 1595200 -161.359 121.214 44.2203 121.214 257.851 211.411 44.221 211.41 286.589 GPRESSURE: 1595200 -125.226 120.579 61.6615 69.2603 263.53 226.597 -120.762 165.852 345.594 PRESSAVG: 1595200 1.07453 -45.5441 -28.7673 -45.5442 -33.547 -3.56397 -28.7674 -3.56394 19.1615 GPRESSAVG: 1595200 2.48441 -45.8634 -27.9857 -46.1688 -34.1714 -3.50297 -31.8539 -5.81607 19.0733 TIMING: 1595200 CPU: 5077.52, 0.00315989/step Wall: 5077.52, 0.00315989/step, 2.98855 hours remaining, 237.488281 MB of memory in use. ENERGY: 1595200 3964.0585 20480.5138 14596.3699 263.0029 -203714.9806 2714.2060 0.0000 0.0000 52433.6907 -109263.1388 301.3371 -161696.8295 -108902.5139 300.3343 127.6939 161.2995 760835.2619 -4.4370 -4.2046 PRESSURE: 1595400 -128.684 -46.758 -218.317 -46.7575 -78.084 -141.732 -218.316 -141.732 -386.73 GPRESSURE: 1595400 -136.083 -31.4447 -209.367 -71.5652 20.5479 -198.602 -141.393 -51.1597 -392.711 PRESSAVG: 1595400 -26.4028 -24.1429 -3.32511 -24.1428 61.3868 -35.6163 -3.32513 -35.6164 -10.7319 GPRESSAVG: 1595400 -27.2189 -23.394 -3.11108 -23.1778 61.6111 -36.8652 -2.2613 -34.2784 -10.0272 TIMING: 1595400 CPU: 5078.15, 0.00317467/step Wall: 5078.15, 0.00317467/step, 3.00236 hours remaining, 237.488281 MB of memory in use. ENERGY: 1595400 3966.4907 20626.1220 14523.7041 250.3360 -202948.8559 2199.3837 0.0000 0.0000 52194.7336 -109188.0858 299.9639 -161382.8194 -108823.9846 300.4225 -197.8325 -169.4151 761352.6300 8.0841 8.1217 PRESSURE: 1595600 29.917 -65.4549 -39.6071 -65.455 -222.149 143.31 -39.6076 143.311 -233.706 GPRESSURE: 1595600 16.3403 -24.4387 0.604754 -50.6733 -149.977 71.4009 21.9112 182.712 -201.79 PRESSAVG: 1595600 32.9277 -18.3623 -4.77055 -18.3623 22.1928 -44.698 -4.77054 -44.698 -5.19563 GPRESSAVG: 1595600 33.4282 -18.3362 -5.29934 -17.9862 21.9894 -43.5143 -4.66848 -44.0899 -5.39611 TIMING: 1595600 CPU: 5078.79, 0.0031703/step Wall: 5078.79, 0.0031703/step, 2.99805 hours remaining, 237.488281 MB of memory in use. ENERGY: 1595600 3991.2208 20536.7745 14563.9892 248.1998 -203122.1580 2435.3693 0.0000 0.0000 52130.8610 -109215.7435 299.5968 -161346.6045 -108858.5297 300.4591 -141.9796 -111.8091 759966.1519 16.6416 16.6738 PRESSURE: 1595800 53.5452 1.70722 -95.1596 1.70742 -231.018 -7.33781 -95.1592 -7.33786 -286.111 GPRESSURE: 1595800 -9.6994 2.86431 34.4042 -61.2961 -99.7367 -27.0639 -192.717 -29.3124 -301.128 PRESSAVG: 1595800 18.5313 -45.867 -36.0934 -45.867 19.2923 -38.2008 -36.0934 -38.2009 4.9065 GPRESSAVG: 1595800 18.8508 -46.796 -36.0298 -44.9249 21.1999 -37.9482 -37.5974 -39.1991 3.39881 TIMING: 1595800 CPU: 5079.42, 0.00316543/step Wall: 5079.42, 0.00316543/step, 2.99327 hours remaining, 237.488281 MB of memory in use. ENERGY: 1595800 4018.0970 20679.5696 14487.6259 259.1220 -203459.9837 2462.0648 0.0000 0.0000 52251.0083 -109302.4962 300.2873 -161553.5045 -108945.8210 300.3071 -154.5281 -136.8548 760491.1429 14.2434 14.4832 PRESSURE: 1596000 -122.841 186.01 -33.8452 186.01 -253.939 -55.0315 -33.8453 -55.0308 -203.994 GPRESSURE: 1596000 -72.9317 156.235 -33.7418 101.953 -181.765 -102.559 -55.6208 -199.208 -247.765 PRESSAVG: 1596000 14.8825 10.1408 -6.32121 10.1407 -8.98601 1.76608 -6.32126 1.7662 -22.9804 GPRESSAVG: 1596000 14.6036 10.5618 -7.1531 8.47716 -10.0784 2.37692 -4.56387 -0.737806 -22.0301 TIMING: 1596000 CPU: 5080.06, 0.00317397/step Wall: 5080.06, 0.00317397/step, 3.00117 hours remaining, 237.488281 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: 1596000 4004.8860 20468.8242 14492.3942 268.9947 -203646.0342 2684.2402 0.0000 0.0000 52224.8410 -109501.8537 300.1369 -161726.6947 -109138.9102 299.8725 -193.5913 -167.4874 760864.2909 -5.6947 -5.8350 PRESSURE: 1596200 225.887 -24.803 293.741 -24.8031 191.473 -521.363 293.741 -521.363 -20.2782 GPRESSURE: 1596200 257.512 -8.89742 171.81 -50.4301 275.241 -509.295 237.915 -480.464 -33.0778 PRESSAVG: 1596200 16.625 -20.9369 11.4529 -20.9369 -87.7985 -49.1688 11.4529 -49.1688 -8.00741 GPRESSAVG: 1596200 15.8239 -21.9156 11.8076 -20.147 -87.9655 -50.053 10.418 -47.095 -7.23783 TIMING: 1596200 CPU: 5080.69, 0.00317493/step Wall: 5080.69, 0.00317493/step, 3.0019 hours remaining, 237.488281 MB of memory in use. ENERGY: 1596200 3983.8782 20481.1013 14459.3170 241.7260 -203217.1539 2563.9493 0.0000 0.0000 52053.6331 -109433.5491 299.1529 -161487.1822 -109082.7269 299.2349 132.3605 166.5583 761466.5438 -26.3936 -26.4598 LDB: ============= START OF LOAD BALANCING ============== 5093.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5093.14 LDB: =============== DONE WITH MIGRATION ================ 5093.15 LDB: ============= START OF LOAD BALANCING ============== 5093.46 LDB: Largest compute 7031 load 0.035543 is 18.2% of average load 0.195121 LDB: Average compute 0.004385 is 2.2% of average load 0.195121 LDB: TIME 5093.47 LOAD: AVG 0.195121 MAX 0.211872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.062 MB LDB: TIME 5093.47 LOAD: AVG 0.195121 MAX 0.211872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: TIME 5093.47 LOAD: AVG 0.195121 MAX 0.211872 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.156 MB LDB: ============== END OF LOAD BALANCING =============== 5093.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5093.47 PRESSURE: 1596400 -53.8108 -84.412 -314.699 -84.4127 377.569 -15.2801 -314.699 -15.2805 72.1323 GPRESSURE: 1596400 -53.5195 -50.38 -273.656 -136.666 411.574 -65.1528 -360.813 -30.029 112.441 PRESSAVG: 1596400 30.5773 -28.4311 9.64025 -28.4311 15.9258 -27.4218 9.64022 -27.4218 14.4231 GPRESSAVG: 1596400 31.4015 -27.1541 9.33374 -29.6717 16.8352 -26.6475 9.71918 -28.563 13.2112 TIMING: 1596400 CPU: 5081.34, 0.00322798/step Wall: 5081.34, 0.00322798/step, 3.05187 hours remaining, 236.937500 MB of memory in use. ENERGY: 1596400 3907.5388 20371.0434 14476.3367 250.3254 -203435.1618 2645.9773 0.0000 0.0000 52365.4989 -109418.4414 300.9452 -161783.9403 -109045.7984 299.3876 131.9636 156.8320 760830.2752 20.3088 20.4826 PRESSURE: 1596600 -119.639 -51.5403 91.4289 -51.5398 85.7121 30.1488 91.4289 30.1493 103.577 GPRESSURE: 1596600 -64.4761 -102.673 128.267 -128.335 94.6287 72.8463 92.9956 -71.162 135.024 PRESSAVG: 1596600 49.2824 8.04218 -30.4031 8.04218 -55.6656 -36.1662 -30.4031 -36.1662 16.4899 GPRESSAVG: 1596600 49.3582 7.4248 -29.5179 9.08808 -56.0905 -36.9646 -29.6372 -35.6375 17.033 TIMING: 1596600 CPU: 5081.97, 0.00316163/step Wall: 5081.97, 0.00316163/step, 2.98897 hours remaining, 236.937500 MB of memory in use. ENERGY: 1596600 3968.5681 20439.2096 14529.3229 226.3180 -202829.6848 2285.7324 0.0000 0.0000 51896.0968 -109484.4370 298.2476 -161380.5338 -109125.3703 299.1046 23.2169 55.0588 761225.1330 3.3689 3.4336 PRESSURE: 1596800 117.661 -97.4821 261.592 -97.4816 120.453 35.8214 261.592 35.8209 179.128 GPRESSURE: 1596800 70.5879 -37.6752 242.517 -118.282 264.074 -48.323 220.995 -5.06664 166.195 PRESSAVG: 1596800 17.4995 -28.353 -25.5555 -28.353 12.8126 3.50657 -25.5556 3.50665 -10.6806 GPRESSAVG: 1596800 17.5356 -28.693 -24.681 -27.553 12.7207 3.33953 -25.3923 2.4773 -10.2296 TIMING: 1596800 CPU: 5082.61, 0.00317743/step Wall: 5082.61, 0.00317743/step, 3.00373 hours remaining, 236.937500 MB of memory in use. ENERGY: 1596800 4000.1469 20436.6114 14524.7405 242.6058 -203324.8562 2671.9820 0.0000 0.0000 52078.7906 -109369.9790 299.2975 -161448.7696 -109008.7147 299.1031 139.0807 166.9523 762881.7760 6.5438 6.6756 PRESSURE: 1597000 -79.5509 -92.3523 115.533 -92.3536 -250.389 32.9794 115.533 32.9784 90.1635 GPRESSURE: 1597000 -55.917 -82.5307 68.9485 -154.35 -294.232 108.731 153.303 -26.5673 165.029 PRESSAVG: 1597000 32.4642 -21.7129 -29.8753 -21.7128 -65.5481 -44.6841 -29.8753 -44.6841 17.0908 GPRESSAVG: 1597000 30.3468 -20.1143 -26.7901 -25.5472 -64.8599 -43.688 -29.5941 -44.6159 17.7488 TIMING: 1597000 CPU: 5083.24, 0.0031769/step Wall: 5083.24, 0.0031769/step, 3.00305 hours remaining, 236.937500 MB of memory in use. ENERGY: 1597000 4024.1196 20507.1584 14415.1438 251.2723 -203100.8952 2360.6335 0.0000 0.0000 52257.3860 -109285.1815 300.3239 -161542.5675 -108941.5420 299.3054 -79.9253 -61.7067 763080.2870 -5.3310 -5.5881 PRESSURE: 1597200 276.204 64.1861 -161.985 64.1859 91.3167 -61.8205 -161.985 -61.8203 223.868 GPRESSURE: 1597200 357.682 82.0324 -118.511 87.8515 48.4653 -36.2005 -176.367 -131.716 268.501 PRESSAVG: 1597200 32.8321 -25.2641 -45.6586 -25.2642 -59.0465 -2.52308 -45.6587 -2.52299 18.8611 GPRESSAVG: 1597200 35.2153 -25.1459 -49.1425 -22.8004 -59.0986 -2.46681 -45.0725 -1.80989 16.6707 TIMING: 1597200 CPU: 5083.88, 0.00318332/step Wall: 5083.88, 0.00318332/step, 3.00895 hours remaining, 236.937500 MB of memory in use. ENERGY: 1597200 3972.3058 20540.9659 14543.7637 234.3210 -203347.6584 2892.4718 0.0000 0.0000 51909.2648 -109254.5654 298.3233 -161163.8302 -108893.6413 299.8369 197.1296 224.8827 762387.9100 -2.4511 -2.4042 PRESSURE: 1597400 -150.395 -108.407 321.817 -108.407 -220.437 -101.094 321.817 -101.095 146.263 GPRESSURE: 1597400 -150.821 17.9419 403.077 -66.9804 -103.644 -161.415 134.342 85.5908 112.512 PRESSAVG: 1597400 15.7739 -81.2079 -39.1429 -81.208 7.88085 10.962 -39.1428 10.962 -0.216836 GPRESSAVG: 1597400 16.7027 -81.5492 -37.8207 -81.3286 6.81649 9.92332 -40.4063 10.8098 -0.372105 TIMING: 1597400 CPU: 5084.51, 0.00317783/step Wall: 5084.51, 0.00317783/step, 3.00357 hours remaining, 236.937500 MB of memory in use. ENERGY: 1597400 3996.0485 20666.8890 14459.0955 238.9773 -203372.2833 2350.3168 0.0000 0.0000 52335.7223 -109325.2339 300.7741 -161660.9562 -108966.2848 299.6165 -74.8561 -47.3177 760655.7564 7.8126 7.7157 PRESSURE: 1597600 -10.5878 -44.1146 109.087 -44.1141 57.3049 130.295 109.088 130.295 203.901 GPRESSURE: 1597600 -7.74915 -168.819 258.112 -0.444116 55.2015 27.156 119.197 10.7019 288.853 PRESSAVG: 1597600 18.2229 -4.46987 24.9778 -4.46984 -25.6794 -23.5736 24.9777 -23.5737 -0.621016 GPRESSAVG: 1597600 15.9893 -3.885 25.3724 -5.98383 -24.2546 -23.4518 26.2023 -24.8869 0.422316 TIMING: 1597600 CPU: 5085.15, 0.0031855/step Wall: 5085.15, 0.0031855/step, 3.01065 hours remaining, 236.937500 MB of memory in use. ENERGY: 1597600 4044.4422 20623.8481 14478.0114 248.4964 -203641.5580 2714.8191 0.0000 0.0000 52146.2630 -109385.6779 299.6853 -161531.9408 -109025.3157 299.6641 83.5393 112.1019 761462.4589 -2.6925 -2.6143 PRESSURE: 1597800 361.515 -133.54 -183.295 -133.539 -134.051 -181.379 -183.295 -181.38 -135.85 GPRESSURE: 1597800 419.78 -90.3915 -136.446 -176.223 -167.88 -160.279 -301.979 -132.091 -76.357 PRESSAVG: 1597800 25.4961 -35.8542 -21.2835 -35.8542 -23.3723 -29.6285 -21.2835 -29.6285 -7.08705 GPRESSAVG: 1597800 26.3637 -37.1558 -21.253 -34.431 -24.3788 -30.3753 -23.524 -28.4395 -7.19482 TIMING: 1597800 CPU: 5085.78, 0.00315792/step Wall: 5085.78, 0.00315792/step, 2.98441 hours remaining, 236.937500 MB of memory in use. ENERGY: 1597800 4034.1234 20623.4113 14473.3757 240.4847 -203776.2993 2799.6914 0.0000 0.0000 52135.9421 -109469.2708 299.6260 -161605.2128 -109109.0918 299.5150 30.5380 58.5143 760873.2424 -1.6544 -1.7366 PRESSURE: 1598000 142.775 -37.3297 -159.605 -37.3286 424.485 69.4129 -159.606 69.4141 -75.5877 GPRESSURE: 1598000 236.16 10.4121 -209.848 93.0601 346.876 118.123 -55.3558 -24.35 -16.0273 PRESSAVG: 1598000 28.5772 -38.1641 -45.4475 -38.1641 -12.3524 -1.15716 -45.4475 -1.15714 -0.295251 GPRESSAVG: 1598000 29.0747 -38.3972 -46.0802 -36.1853 -13.4381 0.256426 -41.6995 -2.79744 -0.0632204 TIMING: 1598000 CPU: 5086.41, 0.0031611/step Wall: 5086.41, 0.0031611/step, 2.98724 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1598000 4014.9142 20590.5089 14551.4804 248.6529 -203636.7801 2622.1149 0.0000 0.0000 52123.6532 -109485.4556 299.5554 -161609.1087 -109127.8240 299.6587 163.8907 189.0028 761102.7563 5.3099 5.1911 PRESSURE: 1598200 -79.9757 -32.9436 -26.5057 -32.9437 -156.088 24.2211 -26.5067 24.2207 190.953 GPRESSURE: 1598200 -12.0156 -59.0603 -47.6836 -101.654 -145.178 47.2862 -163.362 119.265 199.283 PRESSAVG: 1598200 23.3391 -37.0482 -22.2077 -37.0482 -43.4742 -48.0488 -22.2078 -48.0488 -4.95211 GPRESSAVG: 1598200 22.4977 -36.4911 -23.515 -38.7291 -43.1972 -47.4532 -24.7307 -45.8099 -4.82726 TIMING: 1598200 CPU: 5087.05, 0.00316655/step Wall: 5087.05, 0.00316655/step, 2.99222 hours remaining, 236.937500 MB of memory in use. ENERGY: 1598200 3955.4255 20371.2653 14562.6863 265.3240 -203409.4980 2599.7005 0.0000 0.0000 52005.7286 -109649.3677 298.8776 -161655.0964 -109291.3504 299.0424 -15.0369 14.0298 761463.5319 -8.3624 -8.5089 PRESSURE: 1598400 460.643 64.7628 35.1764 64.7619 -126.262 -42.9179 35.1759 -42.9184 118.753 GPRESSURE: 1598400 402.362 101.735 44.4114 25.9662 -38.7854 -67.8478 115.383 -13.1401 188.057 PRESSAVG: 1598400 35.8112 4.07482 -15.7753 4.07476 -13.8797 17.117 -15.7753 17.1168 9.43735 GPRESSAVG: 1598400 35.1535 3.25794 -14.1885 3.82391 -12.712 14.0996 -14.8842 16.8014 9.1142 TIMING: 1598400 CPU: 5087.68, 0.00318031/step Wall: 5087.68, 0.00318031/step, 3.00504 hours remaining, 236.937500 MB of memory in use. ENERGY: 1598400 4093.5915 20531.1176 14491.8871 246.3653 -203860.2848 2818.8514 0.0000 0.0000 51889.5214 -109788.9506 298.2098 -161678.4720 -109426.7378 299.0350 151.0448 183.8778 758481.7078 10.4563 10.5186 PRESSURE: 1598600 -284.999 -94.4729 -77.1161 -94.4716 -10.0959 22.5545 -77.1166 22.5541 12.6668 GPRESSURE: 1598600 -171.194 -144.262 -129.626 -64.261 -36.2117 58.9412 -42.084 -104.365 19.6598 PRESSAVG: 1598600 -11.4127 -2.87876 -18.4255 -2.87877 -29.728 -3.93039 -18.4255 -3.9305 -9.39936 GPRESSAVG: 1598600 -10.3922 -1.55185 -18.9809 -2.36978 -30.4586 -1.50609 -17.3355 -3.52536 -9.54553 TIMING: 1598600 CPU: 5088.32, 0.00316388/step Wall: 5088.32, 0.00316389/step, 2.98934 hours remaining, 236.937500 MB of memory in use. ENERGY: 1598600 3972.6142 20520.4792 14518.2803 238.3898 -203339.8721 2482.9201 0.0000 0.0000 51850.7740 -109756.4146 297.9871 -161607.1886 -109397.9413 298.8418 -94.1426 -62.5819 759482.4314 -16.8467 -16.7988 PRESSURE: 1598800 556.977 -207.486 127.853 -207.486 -44.3869 221.383 127.854 221.384 206.119 GPRESSURE: 1598800 513.592 -59.5322 121.166 -139.641 55.6071 141.931 28.7785 128.85 215.361 PRESSAVG: 1598800 39.8971 -56.3808 -28.7347 -56.3808 -13.0624 57.0734 -28.7348 57.0735 2.70619 GPRESSAVG: 1598800 37.4272 -56.3394 -29.4784 -57.2864 -11.7045 56.1815 -31.65 56.0203 3.75005 TIMING: 1598800 CPU: 5088.95, 0.00318355/step Wall: 5088.95, 0.00318355/step, 3.00775 hours remaining, 236.937500 MB of memory in use. ENERGY: 1598800 3950.1978 20378.4519 14559.3857 246.4258 -203634.5919 2548.2175 0.0000 0.0000 52008.4831 -109943.4301 298.8935 -161951.9131 -109579.7225 298.6985 239.5696 261.5200 758581.4640 9.8470 9.8242 PRESSURE: 1599000 -270.643 -14.7709 223.192 -14.7706 361.109 -216.062 223.193 -216.063 -100.088 GPRESSURE: 1599000 -172.377 -0.250318 195.927 56.081 345.662 -159.767 178.246 -191.78 -97.6143 PRESSAVG: 1599000 32.5018 -41.596 22.6076 -41.596 -54.2945 -43.4602 22.6076 -43.4603 17.8353 GPRESSAVG: 1599000 34.5169 -41.3553 24.7947 -40.8035 -55.5579 -42.6435 23.0715 -42.1494 16.8236 TIMING: 1599000 CPU: 5089.58, 0.00315313/step Wall: 5089.58, 0.00315313/step, 2.97884 hours remaining, 236.937500 MB of memory in use. ENERGY: 1599000 4045.6604 20416.1793 14448.9544 237.7910 -203591.9747 2755.7582 0.0000 0.0000 51814.0677 -109873.5638 297.7762 -161687.6315 -109526.2168 298.3775 -3.2071 25.2234 760229.5735 -1.3192 -1.4058 PRESSURE: 1599200 2.34906 -112.803 -248.684 -112.802 -437.332 299.621 -248.684 299.622 -16.7148 GPRESSURE: 1599200 -8.4824 -82.7962 -243.638 -96.6144 -319.079 362.784 -160.954 362.49 -38.3736 PRESSAVG: 1599200 31.2804 -47.7351 -1.6231 -47.7352 -28.3363 -30.7564 -1.6231 -30.7564 6.10413 GPRESSAVG: 1599200 31.2569 -50.7074 -3.11982 -48.2035 -27.3684 -32.0835 1.80818 -32.1047 5.71954 TIMING: 1599200 CPU: 5090.22, 0.00317523/step Wall: 5090.22, 0.00317523/step, 2.99954 hours remaining, 236.937500 MB of memory in use. ENERGY: 1599200 3989.3955 20386.7774 14494.6849 249.8759 -203257.5805 2350.9693 0.0000 0.0000 51952.3999 -109833.4775 298.5712 -161785.8775 -109479.4410 298.5588 -150.5660 -121.9782 760668.5161 3.0161 3.2027 PRESSURE: 1599400 209.267 -63.1787 68.7328 -63.1778 100.163 171.068 68.7332 171.067 -4.84684 GPRESSURE: 1599400 182.403 -55.873 127.22 -33.9227 222.755 218.855 -107.841 125.041 -7.93177 PRESSAVG: 1599400 3.44677 -46.1541 -17.3587 -46.154 -22.7267 13.2459 -17.3587 13.2459 -17.1361 GPRESSAVG: 1599400 2.82255 -43.9271 -16.0504 -44.8339 -22.9138 15.5766 -18.9744 10.2054 -16.0805 TIMING: 1599400 CPU: 5090.85, 0.00315597/step Wall: 5090.85, 0.00315597/step, 2.98117 hours remaining, 236.937500 MB of memory in use. ENERGY: 1599400 3975.9851 20166.5511 14443.1388 265.8364 -203797.2275 2861.5793 0.0000 0.0000 51996.1737 -110087.9630 298.8227 -162084.1367 -109722.9086 298.3739 101.5278 132.4090 760248.5608 -12.1387 -12.0572 PRESSURE: 1599600 -0.191995 34.7434 -80.4174 34.7434 -321.779 -112.602 -80.4161 -112.602 290.838 GPRESSURE: 1599600 36.5149 -70.3293 -139.733 -26.5816 -270.094 -83.9464 -9.03553 -23.9527 266.423 PRESSAVG: 1599600 -5.17436 4.80411 37.3595 4.80409 7.80189 26.35 37.3595 26.35 -12.1701 GPRESSAVG: 1599600 -4.07285 2.62744 36.2172 4.26126 6.75229 25.9618 38.9496 28.9841 -12.3993 TIMING: 1599600 CPU: 5091.48, 0.00315354/step Wall: 5091.48, 0.00315354/step, 2.97869 hours remaining, 236.937500 MB of memory in use. ENERGY: 1599600 3940.7951 20541.2283 14510.2637 255.5464 -203568.6705 2441.7558 0.0000 0.0000 51906.4098 -109972.6714 298.3069 -161879.0813 -109604.5539 298.0930 -10.3779 10.9478 760660.3671 -3.1809 -3.2400 PRESSURE: 1599800 -567.357 -90.2436 54.4695 -90.244 -210.107 -308.721 54.4701 -308.722 -85.3299 GPRESSURE: 1599800 -486.859 -10.1767 17.7388 25.1612 -168.687 -241.957 16.9075 -345.748 -112.92 PRESSAVG: 1599800 17.543 -23.3948 -33.9394 -23.3948 2.35815 -66.3153 -33.9394 -66.3153 -10.9642 GPRESSAVG: 1599800 17.8488 -21.1948 -33.9331 -24.2721 2.61291 -67.8661 -36.4487 -64.5527 -11.3772 TIMING: 1599800 CPU: 5092.11, 0.00315341/step Wall: 5092.11, 0.00315341/step, 2.9784 hours remaining, 236.937500 MB of memory in use. ENERGY: 1599800 4040.9831 20437.3818 14489.3701 247.1053 -203244.1005 2168.6242 0.0000 0.0000 52113.4296 -109747.2063 299.4966 -161860.6360 -109394.1884 298.9204 -287.5980 -256.1551 761323.2896 2.9790 3.0282 PRESSURE: 1600000 -337.957 -0.527637 71.1219 -0.527751 -445.569 19.1366 71.1218 19.1374 -16.8885 GPRESSURE: 1600000 -231.016 -79.7817 27.6931 78.242 -410.19 4.35856 158.087 24.5656 -84.9615 PRESSAVG: 1600000 45.3097 -17.6055 6.34408 -17.6056 -1.03672 -22.5394 6.34412 -22.5393 -1.38766 GPRESSAVG: 1600000 45.1789 -19.5188 5.82977 -16.1948 -0.101489 -23.6977 8.02917 -23.6353 -2.44349 TIMING: 1600000 CPU: 5092.74, 0.00316764/step Wall: 5092.74, 0.00316764/step, 2.99166 hours remaining, 236.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1600000 3993.0850 20464.4982 14497.7547 254.2851 -203432.5679 2442.3594 0.0000 0.0000 51930.3370 -109850.2486 298.4444 -161780.5855 -109488.8418 298.2611 -266.8047 -242.0558 762017.5212 14.2951 14.2113 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 217.295 -311.9 139.821 -311.9 40.0969 133.532 139.82 133.532 515.114 GPRESSURE: 1600200 226.486 -270.847 165.539 -318.812 96.1636 207.005 163.3 87.7538 515.871 PRESSAVG: 1600200 56.9849 -40.3202 46.5406 -40.3202 -65.6872 18.2698 46.5407 18.2698 21.9323 GPRESSAVG: 1600200 54.9863 -37.7677 46.2463 -40.4349 -65.3522 19.4066 45.7817 18.0826 23.2671 TIMING: 1600200 CPU: 5095.75, 0.0150316/step Wall: 5095.75, 0.0150316/step, 14.1957 hours remaining, 238.789062 MB of memory in use. ENERGY: 1600200 3987.4945 20591.1199 14476.2089 231.3875 -203690.8059 2740.5600 0.0000 0.0000 51916.9108 -109747.1244 298.3672 -161664.0351 -109396.5552 298.6457 257.5021 279.5068 760771.8044 4.4100 4.3004 LDB: ============= START OF LOAD BALANCING ============== 5108.2 LDB: ============== END OF LOAD BALANCING =============== 5108.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5108.21 LDB: ============= START OF LOAD BALANCING ============== 5108.52 LDB: Largest compute 7078 load 0.034340 is 17.6% of average load 0.195130 LDB: Average compute 0.004380 is 2.2% of average load 0.195130 LDB: TIME 5108.53 LOAD: AVG 0.19513 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.07 MB LDB: TIME 5108.53 LOAD: AVG 0.19513 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.277 MB LDB: TIME 5108.53 LOAD: AVG 0.19513 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.277 MB LDB: ============== END OF LOAD BALANCING =============== 5108.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5108.53 PRESSURE: 1600400 154.408 -91.8395 110.029 -91.8403 -130.94 -36.4657 110.029 -36.4657 103.294 GPRESSURE: 1600400 193.84 -200.492 169.924 -187.003 -103.858 -27.5851 -69.7538 75.5474 112.199 PRESSAVG: 1600400 24.2997 -11.1354 32.0043 -11.1354 -27.0606 7.07969 32.0042 7.0797 11.3995 GPRESSAVG: 1600400 26.3694 -12.596 32.8761 -11.9866 -29.1737 7.4786 32.4845 5.99935 11.6354 TIMING: 1600400 CPU: 5096.4, 0.00323113/step Wall: 5096.4, 0.00323113/step, 3.05126 hours remaining, 240.582031 MB of memory in use. ENERGY: 1600400 4007.1897 20581.0344 14445.4153 245.0120 -203308.8580 2680.3255 0.0000 0.0000 51771.0073 -109578.8739 297.5287 -161349.8812 -109222.3423 299.0502 42.2539 67.3939 761350.7165 2.8795 2.9437 PRESSURE: 1600600 87.8791 -73.0603 -117.062 -73.0603 -146.916 215.743 -117.061 215.742 -47.3294 GPRESSURE: 1600600 69.0656 -14.6562 15.5431 -90.6083 -58.0931 155.609 -215.986 326.836 -27.9538 PRESSAVG: 1600600 41.0615 -28.6315 15.7601 -28.6314 -3.10045 -63.2596 15.7601 -63.2596 -14.3548 GPRESSAVG: 1600600 39.9545 -28.9387 16.6146 -29.4949 -1.62583 -64.271 14.364 -63.1649 -14.4558 TIMING: 1600600 CPU: 5097.04, 0.00319345/step Wall: 5097.04, 0.00319345/step, 3.01551 hours remaining, 240.582031 MB of memory in use. ENERGY: 1600600 4035.6999 20578.4389 14452.9899 242.2683 -202957.4799 2419.7775 0.0000 0.0000 51790.1120 -109438.1935 297.6385 -161228.3054 -109081.9698 298.8983 -35.4553 -5.6604 761279.5868 7.8687 7.9576 PRESSURE: 1600800 -153.799 181.326 -3.73842 181.326 -75.9183 144.083 -3.73858 144.084 405.469 GPRESSURE: 1600800 -13.6169 115.851 56.2058 162.909 -116.427 76.6723 -87.6405 74.0483 397.772 PRESSAVG: 1600800 19.6562 -25.3538 -23.5009 -25.3539 -26.3237 26.328 -23.5008 26.3279 7.22122 GPRESSAVG: 1600800 19.5485 -27.1627 -24.2085 -23.7469 -26.9639 24.1614 -23.613 28.2584 6.99358 TIMING: 1600800 CPU: 5097.67, 0.00318418/step Wall: 5097.67, 0.00318418/step, 3.00658 hours remaining, 240.582031 MB of memory in use. ENERGY: 1600800 4038.0219 20594.0051 14522.4518 259.5115 -202937.2837 2258.7090 0.0000 0.0000 51970.7417 -109293.8427 298.6766 -161264.5844 -108928.3896 299.8320 58.5838 89.2427 760113.0105 0.1846 -0.1406 PRESSURE: 1601000 198.767 -201.051 -194.337 -201.05 121.994 -252.754 -194.337 -252.754 178.305 GPRESSURE: 1601000 263.214 -215.451 -269.914 -129.598 205.689 -223.176 -201.52 -213.866 119.844 PRESSAVG: 1601000 -58.5611 -55.2324 -8.12004 -55.2324 61.437 -27.4954 -8.12007 -27.4954 -15.2213 GPRESSAVG: 1601000 -58.3564 -51.5005 -8.71286 -55.9644 61.8525 -25.8987 -7.92794 -28.9509 -15.7184 TIMING: 1601000 CPU: 5098.31, 0.00317213/step Wall: 5098.31, 0.00317213/step, 2.99502 hours remaining, 240.582031 MB of memory in use. ENERGY: 1601000 4011.7568 20460.5412 14501.4563 244.7256 -203515.6671 2741.9861 0.0000 0.0000 52168.4153 -109386.7857 299.8126 -161555.2010 -109027.6545 299.3524 166.3554 196.2490 760517.8087 -4.1151 -4.0741 PRESSURE: 1601200 144.986 -65.3039 -136.143 -65.304 50.583 102.156 -136.143 102.156 227.503 GPRESSURE: 1601200 182.31 -172.26 -83.7839 -48.637 20.4104 93.41 -138.768 121.258 273.958 PRESSAVG: 1601200 30.8437 -63.398 -12.0202 -63.398 -4.93851 12.7138 -12.0202 12.7138 6.93042 GPRESSAVG: 1601200 29.8181 -65.79 -10.479 -62.0502 -4.68411 11.8917 -13.1864 14.8337 7.47986 TIMING: 1601200 CPU: 5098.94, 0.00316769/step Wall: 5098.94, 0.00316769/step, 2.99065 hours remaining, 240.582031 MB of memory in use. ENERGY: 1601200 3960.7921 20528.6544 14447.5587 219.3076 -203499.6843 2800.6492 0.0000 0.0000 52053.1536 -109489.5686 299.1502 -161542.7222 -109117.3361 299.5356 141.0241 158.8930 761929.1161 10.9452 10.8713 PRESSURE: 1601400 -51.2881 -138.809 304.173 -138.809 -237.384 78.9058 304.173 78.905 -10.1845 GPRESSURE: 1601400 37.3172 -210.222 309.24 -96.1669 -196.29 49.3104 328.766 142.771 -68.8194 PRESSAVG: 1601400 2.12626 -7.08386 24.9571 -7.08392 -59.4406 -16.2195 24.957 -16.2195 4.24835 GPRESSAVG: 1601400 2.92607 -5.17483 24.004 -9.70424 -60.0768 -15.0601 27.4904 -18.1251 4.01542 TIMING: 1601400 CPU: 5099.57, 0.0031602/step Wall: 5099.57, 0.0031602/step, 2.9834 hours remaining, 240.582031 MB of memory in use. ENERGY: 1601400 3952.3461 20633.5197 14478.1262 243.4414 -203137.4798 2423.2427 0.0000 0.0000 51813.7308 -109593.0730 297.7742 -161406.8037 -109236.1384 298.9159 -99.6187 -75.9307 762603.2573 -17.6887 -17.7118 PRESSURE: 1601600 247.216 -60.7084 69.3147 -60.7081 22.9579 -132.362 69.3152 -132.361 -76.3129 GPRESSURE: 1601600 301.381 -118.058 28.5485 -83.2404 79.7946 -191.242 -47.0176 -101.513 -117.281 PRESSAVG: 1601600 -34.6841 -47.5069 -7.23824 -47.5068 -28.9355 39.8605 -7.23828 39.8606 7.94265 GPRESSAVG: 1601600 -34.9858 -47.0098 -8.2272 -46.1562 -28.3776 39.884 -7.89005 38.6014 7.32006 TIMING: 1601600 CPU: 5100.2, 0.00316235/step Wall: 5100.2, 0.00316235/step, 2.98526 hours remaining, 240.582031 MB of memory in use. ENERGY: 1601600 3990.5147 20438.0882 14495.8167 235.3387 -203508.5556 2843.2505 0.0000 0.0000 52053.8985 -109451.6482 299.1545 -161505.5467 -109088.2427 299.2956 64.6204 87.9647 760747.9835 -18.5590 -18.6811 PRESSURE: 1601800 -247.976 -187.822 4.43143 -187.823 -43.6509 34.1869 4.43115 34.1875 12.4658 GPRESSURE: 1601800 -159.707 -160.556 46.3083 -152.158 -51.3957 98.5639 -25.5381 67.475 15.7523 PRESSAVG: 1601800 38.9628 -18.7446 -10.2716 -18.7447 -33.5409 -0.562119 -10.2717 -0.562136 -12.0913 GPRESSAVG: 1601800 40.3555 -18.3121 -10.5515 -19.4152 -34.9286 -0.314517 -11.788 2.46822 -12.3493 TIMING: 1601800 CPU: 5100.84, 0.00315308/step Wall: 5100.84, 0.00315308/step, 2.97633 hours remaining, 240.582031 MB of memory in use. ENERGY: 1601800 3975.3779 20386.8913 14464.6458 242.9843 -203131.0010 2310.1764 0.0000 0.0000 52328.9518 -109421.9736 300.7352 -161750.9254 -109074.7742 299.3461 -93.0536 -65.1168 760987.8835 -2.2231 -2.3074 PRESSURE: 1602000 -7.9258 143.478 -31.7412 143.478 148.242 19.2308 -31.7414 19.2312 -311.383 GPRESSURE: 1602000 10.205 -57.1436 -26.2543 52.458 140.452 52.726 75.8956 5.36616 -242.775 PRESSAVG: 1602000 40.0931 -34.8822 40.0233 -34.8822 -38.6496 3.47741 40.0234 3.47737 8.59545 GPRESSAVG: 1602000 39.6354 -35.7384 41.7716 -33.7207 -39.9244 3.91395 39.9763 3.13387 10.1584 TIMING: 1602000 CPU: 5101.47, 0.00317091/step Wall: 5101.47, 0.00317091/step, 2.99298 hours remaining, 240.582031 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: 1602000 3973.1250 20453.8376 14502.5882 252.3609 -203870.7687 2937.9907 0.0000 0.0000 52428.1409 -109322.7254 301.3052 -161750.8663 -108961.4497 299.4030 -57.0224 -30.7061 760641.3044 3.3463 3.2898 PRESSURE: 1602200 -109.502 -6.8905 173.581 -6.89096 -186.219 -56.9736 173.58 -56.9744 34.0048 GPRESSURE: 1602200 -132.828 -9.70117 141.068 81.2584 -160.881 14.1552 183.185 -102.566 107.602 PRESSAVG: 1602200 7.87229 -46.4142 44.1871 -46.4142 36.2801 57.9108 44.187 57.9108 -7.74982 GPRESSAVG: 1602200 7.69611 -48.3524 43.1367 -46.8873 36.7298 55.8366 44.121 58.7142 -8.47157 TIMING: 1602200 CPU: 5102.1, 0.00316239/step Wall: 5102.1, 0.00316239/step, 2.98477 hours remaining, 240.582031 MB of memory in use. ENERGY: 1602200 4069.1416 20426.4523 14492.8767 247.4077 -203131.2874 2603.2894 0.0000 0.0000 51991.7797 -109300.3400 298.7975 -161292.1197 -108949.7217 299.4175 -87.2384 -62.0360 761594.3261 12.1342 11.9848 PRESSURE: 1602400 354.117 -141.172 14.8085 -141.173 148.336 138.312 14.8093 138.311 371.626 GPRESSURE: 1602400 410.034 -58.5468 -39.0112 -75.1118 237.125 108.881 -43.4025 77.5444 313.234 PRESSAVG: 1602400 16.2347 -64.3144 14.331 -64.3143 -13.9679 28.4614 14.3311 28.4615 10.0643 GPRESSAVG: 1602400 14.8681 -63.7487 14.2955 -63.7742 -12.7469 30.3651 15.2146 24.8129 10.3148 TIMING: 1602400 CPU: 5102.74, 0.00318033/step Wall: 5102.74, 0.00318033/step, 3.00153 hours remaining, 240.582031 MB of memory in use. ENERGY: 1602400 3950.7083 20408.8902 14546.5424 248.5391 -203371.0562 2581.1742 0.0000 0.0000 52241.2295 -109393.9725 300.2311 -161635.2020 -109029.3317 299.5931 291.3594 320.1309 761325.2168 4.1104 4.1453 PRESSURE: 1602600 -329.777 -98.0906 2.64907 -98.0914 -193.014 16.4928 2.64886 16.4927 -407.242 GPRESSURE: 1602600 -266.985 -130.52 -111.064 -91.7295 -188.392 51.9378 94.8413 -62.3353 -398.887 PRESSAVG: 1602600 17.7176 -39.2883 15.9327 -39.2883 -10.2797 20.2521 15.9327 20.252 27.3328 GPRESSAVG: 1602600 19.4829 -36.3364 15.8762 -40.483 -11.7525 18.5998 16.3855 22.7676 27.0794 TIMING: 1602600 CPU: 5103.37, 0.00316588/step Wall: 5103.37, 0.00316588/step, 2.98771 hours remaining, 240.582031 MB of memory in use. ENERGY: 1602600 3988.7338 20429.4621 14551.2347 234.1553 -203501.6208 2504.9710 0.0000 0.0000 51992.1096 -109800.9542 298.7994 -161793.0638 -109441.2242 299.4873 -310.0111 -284.7549 762424.9231 11.5903 11.6033 PRESSURE: 1602800 378.771 217.808 -192.059 217.807 -97.5033 155.939 -192.059 155.939 -222.346 GPRESSURE: 1602800 382.243 252.725 -244.764 198.707 -54.8165 195.948 -330.461 128.423 -188.076 PRESSAVG: 1602800 -18.2102 -10.8217 -10.6691 -10.8217 51.4132 -23.3637 -10.6692 -23.3636 -19.7963 GPRESSAVG: 1602800 -18.4015 -14.2302 -10.4916 -9.00871 51.3197 -22.3152 -10.7777 -25.0691 -18.8236 TIMING: 1602800 CPU: 5104, 0.00314405/step Wall: 5104, 0.00314405/step, 2.96694 hours remaining, 240.582031 MB of memory in use. ENERGY: 1602800 4005.8865 20288.7554 14499.4636 236.7523 -203911.0885 3063.5273 0.0000 0.0000 51889.7683 -109926.9351 298.2112 -161816.7033 -109554.7434 298.3942 19.6407 46.4502 760851.4752 4.4689 4.6982 PRESSURE: 1603000 4.05701 62.2534 -226.431 62.2531 157.411 118.236 -226.43 118.237 -116.827 GPRESSURE: 1603000 -5.64137 67.9373 -248.018 55.8808 178.165 6.27738 -231.21 134.08 -56.5319 PRESSAVG: 1603000 -13.4935 -15.9309 7.77109 -15.9309 18.6613 -21.2306 7.77107 -21.2306 -5.7639 GPRESSAVG: 1603000 -13.811 -13.339 7.51874 -16.6628 19.4568 -22.3536 7.48485 -19.393 -6.11709 TIMING: 1603000 CPU: 5104.63, 0.00316068/step Wall: 5104.63, 0.00316068/step, 2.98245 hours remaining, 240.582031 MB of memory in use. ENERGY: 1603000 3975.2363 20481.6551 14504.5097 230.8275 -203594.5060 2642.1258 0.0000 0.0000 51992.4774 -109767.6741 298.8015 -161760.1515 -109419.4008 298.5798 14.8800 38.6641 760591.1610 -0.1987 -0.1571 PRESSURE: 1603200 -519.912 -87.5886 219.941 -87.5888 -115.875 109.209 219.941 109.21 97.8069 GPRESSURE: 1603200 -428.38 -179.652 182.948 28.5687 -101.968 42.7031 272.828 231.664 89.6509 PRESSAVG: 1603200 -5.87423 -23.1621 22.6674 -23.1621 -9.48287 48.9489 22.6674 48.949 11.0014 GPRESSAVG: 1603200 -5.52346 -23.0268 21.6968 -25.3137 -9.38948 49.0648 24.6697 46.585 10.3283 TIMING: 1603200 CPU: 5105.27, 0.00317374/step Wall: 5105.27, 0.00317374/step, 2.9946 hours remaining, 240.582031 MB of memory in use. ENERGY: 1603200 3991.7433 20394.8069 14498.1409 262.1666 -203458.9133 2539.5753 0.0000 0.0000 52103.3088 -109669.1715 299.4384 -161772.4803 -109313.0172 298.6810 -179.3268 -146.8991 761313.0962 -1.4519 -1.5282 PRESSURE: 1603400 -390.352 -40.9246 -46.9538 -40.9249 -105.289 61.0023 -46.9538 61.0029 -373.765 GPRESSURE: 1603400 -234.519 -62.262 -29.4557 -86.8963 -162.002 -2.18804 -72.2322 21.2759 -382.644 PRESSAVG: 1603400 -36.7323 -51.9499 -5.51227 -51.9499 -21.542 -35.6962 -5.51228 -35.6963 13.0056 GPRESSAVG: 1603400 -36.1294 -52.6373 -3.63988 -51.5124 -23.0406 -35.9438 -9.17008 -33.0762 14.1206 TIMING: 1603400 CPU: 5105.9, 0.00318523/step Wall: 5105.9, 0.00318523/step, 3.00527 hours remaining, 240.582031 MB of memory in use. ENERGY: 1603400 3994.3660 20581.7502 14507.7681 248.9644 -202834.9800 1999.7815 0.0000 0.0000 51699.6029 -109802.7469 297.1183 -161502.3498 -109442.6393 298.3381 -289.8021 -259.7218 762179.9659 -15.0896 -15.0165 PRESSURE: 1603600 575.073 -146.65 5.68658 -146.649 81.501 31.3143 5.6869 31.3135 -85.1672 GPRESSURE: 1603600 492.564 -50.5129 -69.1892 -85.6807 211.724 29.8638 -122.238 21.6569 -59.1402 PRESSAVG: 1603600 40.3764 0.00519167 12.2072 0.00516812 -54.8736 0.809237 12.2072 0.80925 2.6291 GPRESSAVG: 1603600 39.8989 -0.649202 10.8764 0.866707 -53.0389 1.31348 12.0873 0.340056 1.51109 TIMING: 1603600 CPU: 5106.54, 0.00316304/step Wall: 5106.54, 0.00316304/step, 2.98415 hours remaining, 240.582031 MB of memory in use. ENERGY: 1603600 3967.2333 20340.4771 14547.2454 238.1425 -203523.3349 2713.5477 0.0000 0.0000 51986.3913 -109730.2976 298.7665 -161716.6888 -109375.7464 298.4755 190.4688 215.0491 760310.1031 -3.9560 -3.8763 PRESSURE: 1603800 -156.239 -74.4868 107.178 -74.4862 118.704 2.23942 107.178 2.24075 -15.4485 GPRESSURE: 1603800 -94.6128 -122.479 94.3495 -39.7497 28.3526 -79.9651 77.0614 63.5891 90.521 PRESSAVG: 1603800 12.3393 33.7076 0.533473 33.7076 1.94203 -12.0552 0.533417 -12.0553 -24.8376 GPRESSAVG: 1603800 11.0809 33.5379 -0.87888 33.0147 1.60459 -11.444 1.24907 -9.95074 -23.3576 TIMING: 1603800 CPU: 5107.17, 0.00318407/step Wall: 5107.17, 0.00318407/step, 3.00382 hours remaining, 240.582031 MB of memory in use. ENERGY: 1603800 3997.6706 20656.0256 14532.8655 277.3629 -203147.5547 2351.9697 0.0000 0.0000 51821.3947 -109510.2659 297.8183 -161331.6606 -109155.2054 298.8020 -17.6612 8.0869 759801.3676 -3.5187 -3.5574 PRESSURE: 1604000 -173.448 3.88854 -128.374 3.88864 25.6344 180.571 -128.374 180.57 -177.003 GPRESSURE: 1604000 -133.501 6.62439 -81.3201 -108.924 107.096 181.944 -95.8748 171.256 -198.856 PRESSAVG: 1604000 -19.9712 -10.5708 52.8111 -10.5708 3.74505 19.1216 52.811 19.1216 -2.82594 GPRESSAVG: 1604000 -18.6938 -9.43316 53.9054 -11.9086 3.53002 18.5599 54.2369 17.0952 -3.46659 TIMING: 1604000 CPU: 5107.8, 0.00314787/step Wall: 5107.8, 0.00314787/step, 2.96949 hours remaining, 240.582031 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: 1604000 4008.7806 20394.1659 14509.8531 258.9820 -203259.1418 2476.5455 0.0000 0.0000 52018.7997 -109592.0150 298.9528 -161610.8147 -109225.2646 298.9748 -108.2723 -75.0871 760630.5533 -6.3507 -6.2101 PRESSURE: 1604200 75.3979 98.7375 227.55 98.7384 179.077 -145.622 227.551 -145.622 265.214 GPRESSURE: 1604200 177.557 71.6492 238.988 -9.29379 86.9695 -86.3484 134.38 -54.1924 357.922 PRESSAVG: 1604200 1.58114 -36.0827 35.1244 -36.0828 -22.3668 -16.982 35.1244 -16.982 -14.6152 GPRESSAVG: 1604200 2.12425 -36.7079 36.2987 -34.3056 -22.8978 -16.1949 33.9416 -16.3455 -14.4125 TIMING: 1604200 CPU: 5108.44, 0.00315954/step Wall: 5108.44, 0.00315954/step, 2.98032 hours remaining, 240.582031 MB of memory in use. ENERGY: 1604200 3890.9186 20535.2215 14465.1663 259.5202 -203475.3917 2526.9079 0.0000 0.0000 52295.8038 -109501.8533 300.5447 -161797.6572 -109133.9707 299.8488 173.2297 207.4828 759876.5840 -11.8003 -11.7287 LDB: ============= START OF LOAD BALANCING ============== 5120.89 LDB: ============== END OF LOAD BALANCING =============== 5120.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5120.89 LDB: ============= START OF LOAD BALANCING ============== 5121.21 LDB: Largest compute 7078 load 0.035798 is 18.3% of average load 0.195177 LDB: Average compute 0.004390 is 2.2% of average load 0.195177 LDB: TIME 5121.21 LOAD: AVG 0.195177 MAX 0.213189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.301 MB LDB: TIME 5121.21 LOAD: AVG 0.195177 MAX 0.213189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.301 MB LDB: TIME 5121.21 LOAD: AVG 0.195177 MAX 0.213189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.301 MB LDB: ============== END OF LOAD BALANCING =============== 5121.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5121.22 PRESSURE: 1604400 -108.249 -30.7241 231.911 -30.7238 -244.455 124.817 231.911 124.817 436.517 GPRESSURE: 1604400 -11.8951 -142.293 96.378 -91.4893 -158.895 78.5383 160.293 86.4094 354.976 PRESSAVG: 1604400 8.54212 18.7108 3.71404 18.7108 -26.0338 -58.0019 3.71403 -58.0019 3.65847 GPRESSAVG: 1604400 7.65223 17.3171 2.69369 20.0353 -24.6746 -56.0865 4.27186 -58.0903 3.22677 TIMING: 1604400 CPU: 5109.08, 0.00323168/step Wall: 5109.08, 0.00323168/step, 3.04819 hours remaining, 240.070312 MB of memory in use. ENERGY: 1604400 3940.3486 20525.3987 14546.8123 258.4955 -203405.1066 2440.9216 0.0000 0.0000 52157.8322 -109535.2977 299.7518 -161693.1299 -109173.1848 299.6716 27.9377 61.3954 761650.4004 -4.6111 -4.5985 PRESSURE: 1604600 -381.67 -79.364 76.8096 -79.3644 348.079 -72.5891 76.81 -72.5883 -398.821 GPRESSURE: 1604600 -235.806 -2.19825 18.0169 -131.285 211.816 -41.9974 51.396 -49.6683 -324.956 PRESSAVG: 1604600 -57.9973 -32.488 33.603 -32.488 42.2102 -55.5556 33.6031 -55.5556 -2.59004 GPRESSAVG: 1604600 -57.8373 -31.6914 34.5377 -33.6348 40.1681 -56.6538 32.2231 -55.1562 -1.41268 TIMING: 1604600 CPU: 5109.72, 0.00317728/step Wall: 5109.72, 0.00317728/step, 2.9967 hours remaining, 240.382812 MB of memory in use. ENERGY: 1604600 3973.7308 20596.2619 14515.3705 247.1785 -203405.9155 2377.9805 0.0000 0.0000 52379.0469 -109316.3464 301.0231 -161695.3933 -108944.3715 299.7483 -144.1376 -116.3156 760621.4776 -6.1257 -6.3606 PRESSURE: 1604800 237.158 -8.35864 158.557 -8.35928 133.063 237.663 158.558 237.662 216.63 GPRESSURE: 1604800 325.611 -47.8928 192.367 -54.8978 167.737 237.711 213.676 210.789 169.721 PRESSAVG: 1604800 -12.5529 -44.0494 3.30478 -44.0495 40.0129 45.1508 3.3048 45.1509 -6.92552 GPRESSAVG: 1604800 -11.4016 -41.8751 4.36171 -43.7003 39.7014 45.3822 2.50069 43.5379 -7.18839 TIMING: 1604800 CPU: 5110.35, 0.00316502/step Wall: 5110.35, 0.00316502/step, 2.98496 hours remaining, 240.382812 MB of memory in use. ENERGY: 1604800 3983.6238 20541.6728 14515.9728 258.8535 -203927.4060 2925.0203 0.0000 0.0000 52276.4849 -109425.7779 300.4337 -161702.2628 -109052.8865 299.3871 195.6170 221.0232 760853.4594 6.8448 7.0371 PRESSURE: 1605000 16.5519 28.139 151.658 28.1385 165.485 42.815 151.658 42.8146 225.887 GPRESSURE: 1605000 43.108 -4.23968 116.363 -40.7559 151.721 66.7519 -11.9816 18.257 290.026 PRESSAVG: 1605000 54.9298 -43.0673 10.7506 -43.0673 -26.7125 -26.1738 10.7507 -26.1738 9.14336 GPRESSAVG: 1605000 53.2422 -46.7552 9.21574 -41.223 -24.8622 -27.4543 11.5847 -23.8003 9.33689 TIMING: 1605000 CPU: 5110.98, 0.00315169/step Wall: 5110.98, 0.00315169/step, 2.97222 hours remaining, 240.382812 MB of memory in use. ENERGY: 1605000 3943.2387 20598.3472 14540.9036 262.9999 -203567.2702 2653.9194 0.0000 0.0000 52138.9762 -109428.8852 299.6434 -161567.8614 -109066.8293 299.4788 135.9745 161.6182 761533.1877 12.4535 12.5723 PRESSURE: 1605200 90.3399 -84.7916 -107.293 -84.7913 25.1124 90.9058 -107.294 90.9067 206.713 GPRESSURE: 1605200 210.004 -24.2387 -94.4737 -7.81188 79.5517 58.6799 -87.3433 165.011 121.472 PRESSAVG: 1605200 -47.3064 -12.9863 35.0646 -12.9862 -13.2049 -41.5008 35.0646 -41.5008 30.0686 GPRESSAVG: 1605200 -45.2429 -9.33729 35.6935 -16.1113 -14.8433 -38.6223 35.3649 -44.6684 28.7935 TIMING: 1605200 CPU: 5111.61, 0.00315613/step Wall: 5111.61, 0.00315613/step, 2.97623 hours remaining, 240.382812 MB of memory in use. ENERGY: 1605200 3878.4260 20639.8777 14470.6033 248.0563 -203465.1722 2716.0025 0.0000 0.0000 52294.1327 -109218.0737 300.5351 -161512.2064 -108846.1823 299.8001 107.3885 137.0091 761802.1449 -10.1476 -10.4309 PRESSURE: 1605400 154.508 182.472 351.116 182.472 73.1222 -301.35 351.117 -301.35 190.403 GPRESSURE: 1605400 236.309 248.258 330.245 247.569 18.34 -322.7 306.486 -287.682 239.807 PRESSAVG: 1605400 -29.4837 33.9445 68.8601 33.9446 -8.07433 -23.6783 68.8601 -23.6784 -29.4459 GPRESSAVG: 1605400 -30.609 31.6421 69.128 35.3009 -8.73752 -27.4111 70.3125 -18.777 -27.6694 TIMING: 1605400 CPU: 5112.24, 0.00314468/step Wall: 5112.24, 0.00314468/step, 2.96526 hours remaining, 240.382812 MB of memory in use. ENERGY: 1605400 3891.5207 20560.9353 14532.0464 238.0722 -203738.8334 2765.5204 0.0000 0.0000 52301.2382 -109449.5003 300.5759 -161750.7385 -109080.1510 299.8442 139.3444 164.8188 761380.9264 -22.3347 -22.3387 PRESSURE: 1605600 34.6057 -225.933 156.239 -225.934 -368.579 187.402 156.239 187.401 154.629 GPRESSURE: 1605600 44.7844 -221.418 162.982 -266.707 -300.425 62.2452 68.9753 272.328 168.51 PRESSAVG: 1605600 -2.32925 -30.6164 62.6177 -30.6164 6.69928 52.7704 62.6177 52.7704 9.8947 GPRESSAVG: 1605600 -1.37038 -27.4913 60.3134 -32.0564 6.61947 54.7849 64.5629 49.7375 9.09929 TIMING: 1605600 CPU: 5112.87, 0.00313481/step Wall: 5112.87, 0.00313481/step, 2.95578 hours remaining, 240.382812 MB of memory in use. ENERGY: 1605600 4016.5853 20640.9454 14581.7012 259.3847 -203739.3936 2577.6889 0.0000 0.0000 52064.5692 -109598.5189 299.2158 -161663.0881 -109240.2953 299.5668 -59.7815 -29.0438 760380.1967 4.7549 4.7828 PRESSURE: 1605800 -181.299 -94.5267 74.9323 -94.5269 294.338 23.5422 74.9322 23.542 0.460779 GPRESSURE: 1605800 -145.969 38.9075 147.097 -66.2177 348.913 7.42326 100.097 96.6815 -22.9177 PRESSAVG: 1605800 -54.8232 14.9629 30.7021 14.9629 38.992 47.5186 30.7022 47.5185 -3.12214 GPRESSAVG: 1605800 -56.3913 13.7627 30.8266 16.6947 39.8935 48.3508 31.3968 48.0895 -2.792 TIMING: 1605800 CPU: 5113.5, 0.00315111/step Wall: 5113.5, 0.00315111/step, 2.97097 hours remaining, 240.382812 MB of memory in use. ENERGY: 1605800 4038.9755 20705.6871 14547.0761 252.0355 -203691.0051 2598.7260 0.0000 0.0000 52082.4472 -109466.0577 299.3185 -161548.5049 -109100.5235 299.3247 37.8333 60.0087 758456.9489 -6.3178 -6.4299 PRESSURE: 1606000 60.6574 99.4619 -16.0927 99.4609 -267.308 -46.2348 -16.0928 -46.2337 -210.824 GPRESSURE: 1606000 64.3168 91.6447 -35.1182 128.576 -241.875 15.0257 -50.0247 -90.5652 -159.675 PRESSAVG: 1606000 36.673 18.852 22.1572 18.852 -59.7936 2.87977 22.1572 2.87971 -3.98729 GPRESSAVG: 1606000 36.1359 19.2248 21.4226 17.1388 -58.5984 1.64093 20.0254 2.32057 -4.33617 TIMING: 1606000 CPU: 5114.13, 0.00314439/step Wall: 5114.13, 0.00314439/step, 2.96446 hours remaining, 240.382812 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: 1606000 4038.7520 20695.7242 14433.0370 249.6367 -203097.6234 2311.0336 0.0000 0.0000 52054.0936 -109315.3464 299.1556 -161369.4400 -108949.6637 299.4921 -139.1583 -112.4111 761856.1320 -9.0360 -8.9329 PRESSURE: 1606200 365.648 -162.82 11.4551 -162.82 57.959 175.7 11.4552 175.701 -52.84 GPRESSURE: 1606200 433.89 -210.521 10.1989 -88.05 26.1988 258.565 9.00762 137.872 -13.786 PRESSAVG: 1606200 23.8508 5.51198 12.7139 5.51194 -43.0679 4.92625 12.7139 4.92633 30.7201 GPRESSAVG: 1606200 24.8783 5.50355 13.5991 6.57805 -43.7934 4.00839 13.3968 4.25817 31.0226 TIMING: 1606200 CPU: 5114.76, 0.00314657/step Wall: 5114.76, 0.00314657/step, 2.96634 hours remaining, 240.382812 MB of memory in use. ENERGY: 1606200 4008.1563 20599.1207 14491.5964 224.4303 -203798.9975 2870.5347 0.0000 0.0000 52071.9530 -109533.2062 299.2582 -161605.1592 -109173.2602 299.9146 123.5888 148.7675 760185.1568 3.8343 4.0358 PRESSURE: 1606400 -35.6572 -113.714 191.097 -113.715 -33.9126 -141.343 191.097 -141.343 32.6363 GPRESSURE: 1606400 -14.2743 -109.852 139.837 -58.2815 -0.273156 -183.556 53.9323 -110.852 47.0772 PRESSAVG: 1606400 -17.0037 0.612512 48.3887 0.612509 5.56047 35.2249 48.3887 35.225 6.72721 GPRESSAVG: 1606400 -16.2797 -1.52076 50.2026 -0.668051 4.14303 36.7353 47.1829 37.3142 7.31958 TIMING: 1606400 CPU: 5115.39, 0.00317389/step Wall: 5115.39, 0.00317389/step, 2.99192 hours remaining, 240.382812 MB of memory in use. ENERGY: 1606400 4020.7359 20627.3838 14494.8356 241.7711 -203988.4090 2926.4804 0.0000 0.0000 51945.7136 -109731.4886 298.5327 -161677.2022 -109366.0486 299.5020 -12.3112 10.8433 760032.4485 -1.5720 -1.6057 PRESSURE: 1606600 -278.038 23.084 -134.902 23.084 -146.679 -68.4106 -134.901 -68.4115 221.765 GPRESSURE: 1606600 -108.085 128.616 -114.054 1.40349 -133.705 -36.9401 -110.273 -80.0643 138.713 PRESSAVG: 1606600 34.8608 19.6057 38.0531 19.6056 -15.6013 0.466582 38.0531 0.466652 -12.4067 GPRESSAVG: 1606600 35.0211 21.8128 35.851 19.3643 -14.9565 -0.225818 38.83 2.54193 -12.957 TIMING: 1606600 CPU: 5116.02, 0.0031694/step Wall: 5116.02, 0.0031694/step, 2.98751 hours remaining, 240.382812 MB of memory in use. ENERGY: 1606600 4027.5671 20536.3302 14527.0318 247.2633 -203646.8366 2575.2059 0.0000 0.0000 52172.3860 -109561.0524 299.8354 -161733.4384 -109200.4794 299.0297 -67.6505 -34.3589 759364.7670 2.2843 2.3692 PRESSURE: 1606800 176.046 52.9063 144.219 52.9053 262.51 138.518 144.219 138.518 557.852 GPRESSURE: 1606800 185.664 179.274 139.172 75.2589 343.909 130.491 21.2478 91.2374 557.837 PRESSAVG: 1606800 59.2814 34.6735 3.88804 34.6734 -27.1812 4.88333 3.88802 4.88324 9.4786 GPRESSAVG: 1606800 59.423 34.1703 5.08652 35.5138 -26.7208 4.63034 5.13322 1.06913 8.99097 TIMING: 1606800 CPU: 5116.66, 0.00315736/step Wall: 5116.66, 0.00315736/step, 2.97599 hours remaining, 240.382812 MB of memory in use. ENERGY: 1606800 3956.5808 20571.4838 14501.7590 246.9413 -203646.4566 2623.1706 0.0000 0.0000 51963.7185 -109782.8027 298.6362 -161746.5211 -109421.2885 299.5246 332.1357 362.4702 759466.1839 13.8596 13.8977 PRESSURE: 1607000 -96.6875 41.3919 -115.405 41.3927 -104.022 -27.9315 -115.406 -27.931 -192.657 GPRESSURE: 1607000 -65.0345 -1.39596 -149.125 7.03967 -58.967 3.84691 -61.8276 -5.68469 -193.717 PRESSAVG: 1607000 0.0610562 27.0672 -10.0435 27.0673 7.89879 -4.85799 -10.0435 -4.85801 3.06121 GPRESSAVG: 1607000 -0.493147 26.3992 -11.8167 27.3872 8.44461 -6.28759 -9.50901 -1.9162 2.77584 TIMING: 1607000 CPU: 5117.29, 0.00315533/step Wall: 5117.29, 0.00315533/step, 2.9739 hours remaining, 240.382812 MB of memory in use. ENERGY: 1607000 3986.7700 20620.5617 14492.8391 222.0016 -203311.8944 2351.9629 0.0000 0.0000 51814.2064 -109823.5527 297.7770 -161637.7591 -109462.6954 298.5338 -131.1222 -105.9063 760400.6822 3.6737 3.5758 PRESSURE: 1607200 37.7472 -39.4347 3.38813 -39.4345 -468.817 101.517 3.38786 101.517 144.171 GPRESSURE: 1607200 -25.8291 -53.3871 -24.3434 -48.4117 -298.101 55.9464 -128.343 44.907 125.31 PRESSAVG: 1607200 -59.993 26.9486 -27.8236 26.9486 -13.1687 -23.616 -27.8236 -23.616 18.6955 GPRESSAVG: 1607200 -60.5025 26.1101 -28.3009 26.658 -12.839 -23.1849 -27.7479 -25.7133 18.4449 TIMING: 1607200 CPU: 5117.92, 0.00318911/step Wall: 5117.92, 0.00318911/step, 3.00556 hours remaining, 240.382812 MB of memory in use. ENERGY: 1607200 3987.9120 20393.1746 14426.6708 263.8511 -203225.5879 2287.4481 0.0000 0.0000 52074.9898 -109791.5414 299.2757 -161866.5313 -109425.4876 298.7357 -95.6329 -66.2067 760607.3061 -18.1554 -18.2989 PRESSURE: 1607400 -169.857 -184.751 131.288 -184.75 -89.3893 420.86 131.289 420.86 -124.619 GPRESSURE: 1607400 -169.181 -144.095 92.5197 -139.991 -75.9221 376.826 162.463 306.233 -82.8394 PRESSAVG: 1607400 -11.7092 -34.4922 26.9637 -34.4922 36.9271 49.9054 26.9637 49.9053 -10.0336 GPRESSAVG: 1607400 -10.922 -32.8896 27.2469 -32.2645 35.2708 50.4478 27.5947 49.2927 -9.44359 TIMING: 1607400 CPU: 5118.56, 0.00316074/step Wall: 5118.56, 0.00316074/step, 2.97865 hours remaining, 240.382812 MB of memory in use. ENERGY: 1607400 3956.8017 20577.0134 14486.8496 230.7172 -203687.2934 2866.6928 0.0000 0.0000 52012.3554 -109556.8632 298.9157 -161569.2186 -109196.8566 298.5197 -127.9552 -109.3142 761612.1607 5.0614 4.9684 PRESSURE: 1607600 -113.107 -49.2821 147.009 -49.2826 -138.499 150.919 147.009 150.919 190.069 GPRESSURE: 1607600 23.6197 -26.2328 34.0329 -117.103 -158.591 182.503 142.673 98.8656 161.343 PRESSAVG: 1607600 3.16191 -7.8535 3.12864 -7.85358 3.41811 38.1947 3.12869 38.1946 -6.04341 GPRESSAVG: 1607600 3.44511 -8.85178 4.47317 -8.39309 4.35719 38.5906 2.56822 38.0276 -6.42507 TIMING: 1607600 CPU: 5119.19, 0.0031603/step Wall: 5119.19, 0.0031603/step, 2.97806 hours remaining, 240.382812 MB of memory in use. ENERGY: 1607600 4006.4966 20475.5720 14471.7042 228.5739 -203788.9837 2685.7603 0.0000 0.0000 52438.9648 -109481.9119 301.3675 -161920.8767 -109119.8630 299.4129 -20.5122 8.7906 760902.2259 0.1789 0.4591 PRESSURE: 1607800 -49.9303 12.7878 18.5064 12.7872 89.2451 -244.599 18.5063 -244.598 -33.3392 GPRESSURE: 1607800 -98.0494 43.8306 43.4838 -127.501 124.434 -252.034 -21.1813 -230.549 50.6007 PRESSAVG: 1607800 31.4043 30.3648 -34.4544 30.3648 21.3181 -32.9583 -34.4544 -32.9582 -24.978 GPRESSAVG: 1607800 29.7679 29.3804 -35.2232 29.7338 22.3228 -33.1903 -36.6508 -34.2732 -24.2236 TIMING: 1607800 CPU: 5119.82, 0.00315729/step Wall: 5119.82, 0.00315729/step, 2.97505 hours remaining, 240.382812 MB of memory in use. ENERGY: 1607800 4049.1489 20566.9863 14473.1592 253.3157 -203581.1605 2566.3430 0.0000 0.0000 52058.6126 -109613.5949 299.1816 -161672.2074 -109244.5360 299.2166 1.9919 25.6618 761379.7474 9.2481 9.2890 PRESSURE: 1608000 118.268 55.6154 14.6289 55.6154 330.839 84.1095 14.629 84.1087 -164.521 GPRESSURE: 1608000 215.644 -2.82945 90.5486 -6.49749 329.835 177.53 -52.2782 95.4674 -166.279 PRESSAVG: 1608000 -45.519 25.6225 -38.485 25.6225 13.8314 26.3743 -38.485 26.3743 -3.52272 GPRESSAVG: 1608000 -44.7021 26.0418 -37.0038 26.0051 14.1094 26.4607 -35.6052 30.7942 -4.61596 TIMING: 1608000 CPU: 5120.45, 0.00312844/step Wall: 5120.45, 0.00312844/step, 2.94769 hours remaining, 240.382812 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: 1608000 4010.7599 20597.9618 14503.9362 244.0139 -203934.6774 3007.4690 0.0000 0.0000 51887.6130 -109682.9236 298.1988 -161570.5366 -109326.2394 298.7397 94.8620 126.4002 763128.5212 -11.7368 -11.7362 PRESSURE: 1608200 -433.75 22.3379 -76.0626 22.3366 -360.801 -121.766 -76.0625 -121.767 -289.426 GPRESSURE: 1608200 -436.477 -92.096 -77.9866 119.139 -301.145 -142.302 -111.973 -41.8964 -253.731 PRESSAVG: 1608200 12.2345 -28.0457 -60.4002 -28.0458 -5.57049 33.2463 -60.4002 33.2463 -22.5534 GPRESSAVG: 1608200 13.3193 -27.0159 -61.0223 -28.0457 -7.06731 32.9151 -61.8351 30.4331 -21.5472 TIMING: 1608200 CPU: 5121.07, 0.00313682/step Wall: 5121.07, 0.00313682/step, 2.95541 hours remaining, 240.382812 MB of memory in use. ENERGY: 1608200 4055.5084 20708.8680 14427.4187 233.7611 -203028.3880 2150.2499 0.0000 0.0000 51891.2866 -109561.2954 298.2199 -161452.5819 -109208.9018 298.9753 -361.3255 -330.4508 760313.9252 -5.2965 -5.0984 LDB: ============= START OF LOAD BALANCING ============== 5133.52 LDB: ============== END OF LOAD BALANCING =============== 5133.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5133.53 LDB: ============= START OF LOAD BALANCING ============== 5133.84 LDB: Largest compute 7078 load 0.034474 is 17.7% of average load 0.195145 LDB: Average compute 0.004393 is 2.3% of average load 0.195145 LDB: TIME 5133.85 LOAD: AVG 0.195145 MAX 0.214861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.359 MB LDB: TIME 5133.85 LOAD: AVG 0.195145 MAX 0.214861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: TIME 5133.85 LOAD: AVG 0.195145 MAX 0.214861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.359 MB LDB: ============== END OF LOAD BALANCING =============== 5133.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5133.85 PRESSURE: 1608400 -42.6957 28.225 -74.7325 28.2251 -341.874 -22.3408 -74.7328 -22.34 -358.038 GPRESSURE: 1608400 -18.9567 -122.592 -81.5869 4.6954 -284.006 -4.28971 25.4016 84.0839 -367.022 PRESSAVG: 1608400 13.7187 -34.1161 -43.667 -34.1161 -12.077 1.49124 -43.667 1.49121 -19.0634 GPRESSAVG: 1608400 13.2173 -36.3681 -45.2608 -32.6014 -11.5757 1.71402 -42.8315 1.87914 -19.0705 TIMING: 1608400 CPU: 5121.72, 0.0032199/step Wall: 5121.72, 0.0032199/step, 3.03351 hours remaining, 239.300781 MB of memory in use. ENERGY: 1608400 4026.1463 20497.2908 14504.3653 242.6167 -203314.4272 2298.2698 0.0000 0.0000 52018.9836 -109726.7548 298.9538 -161745.7384 -109367.5896 298.9685 -247.5360 -223.3282 760674.7104 -5.8072 -5.8096 PRESSURE: 1608600 76.6583 -2.47646 182.122 -2.47615 6.23878 34.0273 182.123 34.0283 -90.2521 GPRESSURE: 1608600 155.782 -100.015 151.254 -48.2145 -0.0108962 125.133 8.08239 63.2901 -87.0335 PRESSAVG: 1608600 39.9451 -42.8489 -14.1774 -42.8488 -68.4343 10.6871 -14.1774 10.6871 21.6484 GPRESSAVG: 1608600 40.5649 -43.2841 -14.4672 -43.0256 -68.5299 9.88711 -14.7416 9.61083 21.0625 TIMING: 1608600 CPU: 5122.35, 0.00317518/step Wall: 5122.35, 0.00317518/step, 2.99119 hours remaining, 239.300781 MB of memory in use. ENERGY: 1608600 3973.9918 20609.5012 14512.0447 233.1423 -203544.9502 2580.4809 0.0000 0.0000 51824.7960 -109810.9933 297.8378 -161635.7893 -109441.4278 298.5778 -2.4517 22.9125 761453.7919 -2.2803 -2.3008 PRESSURE: 1608800 163.519 198.663 82.0359 198.663 -116.445 93.317 82.036 93.3172 -293.887 GPRESSURE: 1608800 117.697 110.85 -10.1068 45.741 -70.5092 -30.9878 136.564 190.521 -235.252 PRESSAVG: 1608800 52.3424 -59.8104 -9.98752 -59.8104 -15.8202 33.4957 -9.98756 33.4957 -7.40417 GPRESSAVG: 1608800 51.2646 -58.1518 -9.27598 -61.6665 -14.8843 32.9328 -8.87086 34.5703 -7.15257 TIMING: 1608800 CPU: 5122.99, 0.00316808/step Wall: 5122.99, 0.00316808/step, 2.98433 hours remaining, 239.300781 MB of memory in use. ENERGY: 1608800 4011.8497 20382.0107 14509.9052 259.6907 -203834.3245 2651.5234 0.0000 0.0000 52092.0051 -109927.3396 299.3735 -162019.3447 -109549.2047 298.7299 -82.2710 -62.6881 758673.1942 9.7060 9.7426 PRESSURE: 1609000 -219.204 -176.025 -41.6738 -176.025 186.371 -76.2419 -41.6736 -76.2419 340.612 GPRESSURE: 1609000 -137.024 -202.63 -56.9451 -153.503 199.408 31.0607 27.6986 -89.8578 327.008 PRESSAVG: 1609000 49.8393 4.06859 10.2543 4.06862 -27.2004 13.1389 10.2543 13.1389 -9.1566 GPRESSAVG: 1609000 50.779 3.70378 11.264 3.70269 -27.6959 13.9301 8.93903 12.8089 -9.53897 TIMING: 1609000 CPU: 5123.62, 0.00315625/step Wall: 5123.62, 0.00315624/step, 2.97301 hours remaining, 239.300781 MB of memory in use. ENERGY: 1609000 3972.0959 20513.6902 14574.3967 251.9200 -203666.6407 2600.5660 0.0000 0.0000 51928.5180 -109825.4539 298.4339 -161753.9719 -109457.9011 298.7652 102.5931 129.7972 759531.3615 4.4941 4.5147 PRESSURE: 1609200 176.527 33.8151 -84.2152 33.8148 -161.139 261.039 -84.2148 261.038 -134.181 GPRESSURE: 1609200 149.136 -112.31 -101.411 33.6721 -112.308 319.314 -35.8477 218.908 -83.8503 PRESSAVG: 1609200 11.3787 -35.5343 -38.0128 -35.5343 5.9189 12.0522 -38.0129 12.0521 44.4904 GPRESSAVG: 1609200 10.7749 -34.3298 -39.5766 -33.5062 4.22536 11.7827 -33.6894 13.6869 46.4533 TIMING: 1609200 CPU: 5124.25, 0.00316696/step Wall: 5124.25, 0.00316696/step, 2.98292 hours remaining, 239.300781 MB of memory in use. ENERGY: 1609200 3878.9271 20601.0226 14493.0880 269.2379 -203199.2044 2327.9970 0.0000 0.0000 51598.9733 -110029.9585 296.5400 -161628.9318 -109658.7771 298.4402 -39.5978 -15.6740 760940.1511 20.5960 20.4845 PRESSURE: 1609400 -100.978 -9.71221 -91.5438 -9.71205 60.7984 -125.576 -91.5441 -125.576 273.838 GPRESSURE: 1609400 -81.9155 -46.7475 -29.1215 -19.9871 184.126 -84.3539 -112.679 -191.202 218.919 PRESSAVG: 1609400 -34.9868 -61.3264 -32.7334 -61.3265 30.4267 -15.4406 -32.7335 -15.4406 2.00109 GPRESSAVG: 1609400 -33.7767 -62.4508 -32.9201 -61.7237 30.9921 -14.5426 -35.4919 -19.0303 0.0475022 TIMING: 1609400 CPU: 5124.88, 0.00316123/step Wall: 5124.88, 0.00316123/step, 2.97735 hours remaining, 239.300781 MB of memory in use. ENERGY: 1609400 3988.9858 20376.8361 14391.3769 247.9690 -203574.2667 2665.6960 0.0000 0.0000 51780.2703 -110123.1326 297.5819 -161903.4030 -109769.1741 297.5821 77.8860 107.0431 760361.2216 -0.8530 -0.9124 PRESSURE: 1609600 72.3113 -93.5943 -98.9673 -93.5941 73.9797 235.224 -98.9661 235.223 142.472 GPRESSURE: 1609600 96.57 -62.8538 -102.294 -48.7395 152.015 256.036 -143.241 326.328 132.931 PRESSAVG: 1609600 -4.6374 -48.6649 11.7408 -48.6649 -19.4615 27.085 11.7408 27.085 7.83543 GPRESSAVG: 1609600 -4.097 -48.0266 11.7677 -48.6138 -19.351 26.1828 11.5324 29.0055 6.93267 TIMING: 1609600 CPU: 5125.51, 0.00314193/step Wall: 5125.51, 0.00314193/step, 2.959 hours remaining, 239.300781 MB of memory in use. ENERGY: 1609600 3909.3896 20548.9977 14488.6894 249.3120 -203552.0988 2510.5833 0.0000 0.0000 51740.1676 -110104.9593 297.3515 -161845.1268 -109746.4172 297.9416 96.2542 127.1720 759673.0095 -5.4212 -5.5051 PRESSURE: 1609800 151.918 -93.5038 148.084 -93.5037 301.074 296.567 148.084 296.566 197.168 GPRESSURE: 1609800 186.681 -52.7412 130.068 -73.1789 266.679 220.463 22.9975 208.82 274.027 PRESSAVG: 1609800 19.677 -13.368 -67.2388 -13.368 4.79777 29.9738 -67.2388 29.9738 -11.4657 GPRESSAVG: 1609800 17.8411 -12.9375 -66.0955 -15.3007 4.61533 29.1445 -67.3289 30.1732 -8.96178 TIMING: 1609800 CPU: 5126.14, 0.00314596/step Wall: 5126.14, 0.00314596/step, 2.96262 hours remaining, 239.300781 MB of memory in use. ENERGY: 1609800 3981.9530 20547.3383 14479.0665 248.2125 -203745.6245 2634.8772 0.0000 0.0000 52005.8489 -109848.3283 298.8783 -161854.1771 -109491.6681 298.3185 216.7200 242.4620 760100.0796 4.3363 4.4982 PRESSURE: 1610000 311.733 176.892 173.172 176.892 -141.143 35.2852 173.171 35.285 -307.926 GPRESSURE: 1610000 240.052 48.7824 176.705 263.596 -14.6959 54.2099 248.035 20.3081 -248.018 PRESSAVG: 1610000 21.7128 -1.01989 -44.0119 -1.01992 -33.3907 6.312 -44.0118 6.31205 2.21442 GPRESSAVG: 1610000 23.167 -2.02912 -45.5913 1.61268 -34.0774 8.07202 -44.1074 5.19208 1.60147 TIMING: 1610000 CPU: 5126.77, 0.00314248/step Wall: 5126.77, 0.00314248/step, 2.95916 hours remaining, 239.300781 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: 1610000 3945.4601 20429.3649 14519.3724 251.8606 -203873.8621 2712.3613 0.0000 0.0000 52102.6581 -109912.7847 299.4347 -162015.4428 -109558.4321 298.6040 -45.7788 -7.5541 760772.1966 -3.1545 -3.1030 PRESSURE: 1610200 11.5262 -129.063 43.8121 -129.062 -243.349 -198.939 43.8124 -198.938 -29.3149 GPRESSURE: 1610200 41.8241 -12.3165 73.8282 -116.577 -204.014 -161.919 16.0722 -77.9169 -15.6638 PRESSAVG: 1610200 24.3536 -45.5112 7.36164 -45.5112 -66.3928 6.75743 7.36163 6.75751 -4.88024 GPRESSAVG: 1610200 23.5913 -44.5487 8.49722 -44.6113 -64.8973 6.75374 8.71017 7.57128 -5.59814 TIMING: 1610200 CPU: 5127.4, 0.00315247/step Wall: 5127.4, 0.00315247/step, 2.9684 hours remaining, 239.300781 MB of memory in use. ENERGY: 1610200 3955.3938 20477.6051 14596.1320 247.7901 -203508.3848 2396.2862 0.0000 0.0000 52000.3136 -109834.8641 298.8465 -161835.1777 -109469.4640 298.4986 -87.0457 -59.2845 759391.9898 -15.6398 -15.6347 PRESSURE: 1610400 -37.2139 -118.084 67.4665 -118.084 -95.7452 31.6579 67.4668 31.6579 -425.004 GPRESSURE: 1610400 83.8873 -173.895 90.0595 -39.4849 -98.8527 29.607 69.0569 107.988 -469.626 PRESSAVG: 1610400 19.7804 -30.2963 33.5887 -30.2963 -13.8873 -50.3845 33.5887 -50.3846 5.35452 GPRESSAVG: 1610400 21.0915 -28.9516 33.4388 -31.5149 -15.8104 -50.5393 34.1436 -49.7312 5.46229 TIMING: 1610400 CPU: 5128.03, 0.00317124/step Wall: 5128.03, 0.00317124/step, 2.9859 hours remaining, 239.300781 MB of memory in use. ENERGY: 1610400 4091.2987 20536.3906 14532.6568 232.6089 -204116.6528 2740.0245 0.0000 0.0000 52008.2741 -109975.3993 298.8923 -161983.6734 -109606.1053 299.1720 -185.9876 -161.5306 759802.2477 3.7492 3.5811 PRESSURE: 1610600 -192.276 102.318 62.0186 102.318 -97.1702 138.54 62.0188 138.54 -310.923 GPRESSURE: 1610600 -136.945 56.7089 -19.8115 92.3341 -80.0246 54.3565 -28.957 75.8974 -302.841 PRESSAVG: 1610600 -2.67863 41.0489 -11.5104 41.0489 -0.789048 -4.48008 -11.5103 -4.48011 4.67466 GPRESSAVG: 1610600 -3.07917 40.2097 -10.41 42.1034 -0.653788 -4.37381 -12.567 -4.54728 4.74904 TIMING: 1610600 CPU: 5128.67, 0.00316375/step Wall: 5128.67, 0.00316375/step, 2.97867 hours remaining, 239.300781 MB of memory in use. ENERGY: 1610600 3969.5776 20725.9296 14510.6937 255.6929 -203263.2773 2144.6001 0.0000 0.0000 51804.2515 -109852.5319 297.7197 -161656.7834 -109504.3461 298.7590 -200.1229 -173.2699 760119.1536 0.4023 0.3387 PRESSURE: 1610800 21.6143 -1.93354 -6.66836 -1.93241 -210.761 -4.55561 -6.66832 -4.5556 -380.997 GPRESSURE: 1610800 61.275 -141.288 54.6731 -62.8809 -208.202 86.7008 -85.0709 -22.5834 -340.861 PRESSAVG: 1610800 29.9908 39.5743 -10.9803 39.5743 -58.5134 -31.5636 -10.9802 -31.5636 -2.72616 GPRESSAVG: 1610800 29.5026 38.3633 -12.7479 36.6759 -58.3503 -32.8589 -11.6259 -30.6587 -1.76498 TIMING: 1610800 CPU: 5129.3, 0.00317942/step Wall: 5129.3, 0.00317942/step, 2.99325 hours remaining, 239.300781 MB of memory in use. ENERGY: 1610800 3961.1969 20707.1658 14469.7606 240.4439 -203856.9010 2698.7872 0.0000 0.0000 52087.1112 -109692.4353 299.3453 -161779.5466 -109333.0582 299.1648 -190.0481 -162.5958 759149.0981 -10.4162 -10.2042 PRESSURE: 1611000 57.2211 205.988 -170.084 205.988 346.902 -29.5344 -170.085 -29.5359 314.807 GPRESSURE: 1611000 100.939 183.31 -175.606 151.582 375.751 -75.3945 -94.1825 -13.109 329.877 PRESSAVG: 1611000 9.69594 -53.1801 10.4857 -53.18 -51.6808 -7.68953 10.4858 -7.68949 4.74962 GPRESSAVG: 1611000 9.55601 -52.1186 10.0906 -52.7791 -51.0333 -6.36083 12.5961 -9.12928 4.10864 TIMING: 1611000 CPU: 5129.94, 0.00319746/step Wall: 5129.94, 0.00319746/step, 3.01005 hours remaining, 239.300781 MB of memory in use. ENERGY: 1611000 3999.5360 20695.0893 14544.4572 249.0498 -204194.7351 2974.6354 0.0000 0.0000 51973.7099 -109758.2574 298.6936 -161731.9673 -109398.8182 298.9344 239.6432 268.8559 759091.5812 -12.4118 -12.4562 PRESSURE: 1611200 88.5512 -272.677 140.991 -272.679 -146.95 -305.384 140.991 -305.383 80.7398 GPRESSURE: 1611200 198.905 -171.556 76.5253 -276.014 -149.997 -303.772 182.804 -278.878 63.3901 PRESSAVG: 1611200 47.1985 -40.0956 -70.2638 -40.0956 -31.437 -9.61747 -70.2638 -9.61746 -2.34684 GPRESSAVG: 1611200 47.8766 -38.4118 -67.7402 -40.7069 -33.1434 -10.1007 -72.7168 -9.56753 -1.4615 TIMING: 1611200 CPU: 5130.57, 0.00315921/step Wall: 5130.57, 0.00315921/step, 2.97387 hours remaining, 239.300781 MB of memory in use. ENERGY: 1611200 3979.9053 20716.2585 14496.5303 229.3352 -203450.3281 2329.0133 0.0000 0.0000 51796.5862 -109902.6992 297.6757 -161699.2854 -109535.3386 299.2948 7.4468 37.4327 759421.2382 4.4716 4.4239 PRESSURE: 1611400 -233.985 -12.2484 -73.876 -12.248 -155.828 170.479 -73.8764 170.478 -421.685 GPRESSURE: 1611400 -163.749 21.9014 -106.758 -20.2468 -159.277 155.885 -48.8316 143.091 -392.078 PRESSAVG: 1611400 -37.4678 -33.6136 -37.4046 -33.6135 35.5131 20.6846 -37.4046 20.6847 14.8547 GPRESSAVG: 1611400 -36.2044 -34.7757 -38.7033 -31.9209 34.7621 19.4058 -36.6541 20.995 14.6714 TIMING: 1611400 CPU: 5131.21, 0.00315753/step Wall: 5131.21, 0.00315753/step, 2.97211 hours remaining, 239.300781 MB of memory in use. ENERGY: 1611400 3971.5333 20530.9042 14438.0645 236.9826 -203238.0807 2243.8661 0.0000 0.0000 52151.8712 -109664.8587 299.7175 -161816.7299 -109307.7025 298.8286 -270.4992 -238.3681 759743.5095 4.3000 4.4097 PRESSURE: 1611600 -472.826 62.1159 84.9751 62.1162 -424.501 130.107 84.9749 130.107 -523.195 GPRESSURE: 1611600 -390.478 62.9577 112.138 54.2532 -439.038 99.5251 173.258 109.045 -494.713 PRESSAVG: 1611600 -17.9018 -15.1068 0.796204 -15.1068 20.55 1.92695 0.796097 1.92697 -10.301 GPRESSAVG: 1611600 -18.9867 -16.5876 2.52415 -15.7706 23.0099 4.1943 -0.665223 -0.723392 -11.4619 TIMING: 1611600 CPU: 5131.84, 0.00316397/step Wall: 5131.84, 0.00316397/step, 2.978 hours remaining, 239.300781 MB of memory in use. ENERGY: 1611600 4073.6449 20402.7849 14556.6673 269.6634 -203370.8403 2070.5311 0.0000 0.0000 52197.9340 -109799.6146 299.9822 -161997.5486 -109418.7289 298.5931 -473.5071 -441.4098 758836.0215 -2.5510 -2.4796 PRESSURE: 1611800 -184.371 48.7306 252.55 48.7299 117.015 -42.4408 252.55 -42.4401 465.004 GPRESSURE: 1611800 -113.058 129.949 159.993 -9.09767 96.4833 13.0214 340.982 -149.846 494.04 PRESSAVG: 1611800 -22.5376 -6.46238 34.7051 -6.46233 11.4917 -29.2531 34.7051 -29.2531 -9.77434 GPRESSAVG: 1611800 -22.3097 -5.6377 32.2003 -5.31352 11.4269 -29.72 38.1946 -24.3107 -9.94068 TIMING: 1611800 CPU: 5132.47, 0.00316743/step Wall: 5132.47, 0.00316743/step, 2.98107 hours remaining, 239.300781 MB of memory in use. ENERGY: 1611800 4029.3656 20618.4762 14481.7678 251.6030 -203764.5737 2457.8010 0.0000 0.0000 52283.8723 -109641.6878 300.4761 -161925.5601 -109277.1460 299.1619 132.5495 159.1551 758955.2220 -6.9401 -6.9412 PRESSURE: 1612000 128.847 -104.076 -53.267 -104.076 -147.03 105.795 -53.2668 105.793 -138.28 GPRESSURE: 1612000 197.713 -112.7 -111.402 -40.0319 -153.144 72.4136 -189.58 148.431 -136.603 PRESSAVG: 1612000 0.510785 0.888647 21.2017 0.88869 30.8582 -5.37061 21.2018 -5.37051 -7.86502 GPRESSAVG: 1612000 -0.533662 -0.411235 22.6538 2.72728 30.5805 -6.97311 19.2518 -8.30244 -7.15635 TIMING: 1612000 CPU: 5133.11, 0.00317947/step Wall: 5133.11, 0.00317947/step, 2.99223 hours remaining, 239.300781 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: 1612000 4049.2339 20650.4036 14541.2984 257.2725 -203752.8601 2526.9356 0.0000 0.0000 51860.7349 -109866.9810 298.0444 -161727.7159 -109493.5616 299.4309 -52.1543 -30.6780 760822.4982 7.8346 7.6302 PRESSURE: 1612200 62.3783 -187.669 41.9877 -187.669 37.1254 125.482 41.9878 125.482 110.4 GPRESSURE: 1612200 45.3976 -216.955 19.1009 -70.9161 12.4647 135.21 181.083 71.8895 227.936 PRESSAVG: 1612200 5.09271 12.5827 -1.30848 12.5827 -43.0555 29.8589 -1.30837 29.8589 -1.67364 GPRESSAVG: 1612200 4.76511 11.9011 -1.21618 10.1932 -42.731 30.2222 -1.71211 30.2225 -1.43222 TIMING: 1612200 CPU: 5133.74, 0.00315905/step Wall: 5133.74, 0.00315905/step, 2.97284 hours remaining, 239.300781 MB of memory in use. ENERGY: 1612200 4003.8991 20498.2642 14479.2949 234.5005 -204007.0274 2975.3156 0.0000 0.0000 52029.2613 -109786.4918 299.0129 -161815.7531 -109421.8782 298.5837 69.9679 95.2661 761310.7951 -13.2121 -13.1327 LDB: ============= START OF LOAD BALANCING ============== 5146.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5146.19 LDB: =============== DONE WITH MIGRATION ================ 5146.19 LDB: ============= START OF LOAD BALANCING ============== 5146.52 LDB: Largest compute 7077 load 0.034727 is 17.8% of average load 0.195179 LDB: Average compute 0.004416 is 2.3% of average load 0.195179 LDB: TIME 5146.52 LOAD: AVG 0.195179 MAX 0.21324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.812 MB LDB: TIME 5146.52 LOAD: AVG 0.195179 MAX 0.21324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.016 MB LDB: TIME 5146.52 LOAD: AVG 0.195179 MAX 0.21324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.016 MB LDB: ============== END OF LOAD BALANCING =============== 5146.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5146.53 PRESSURE: 1612400 146.43 -11.4362 249.782 -11.4358 -212.498 12.3472 249.782 12.3478 135.954 GPRESSURE: 1612400 102.411 -35.8546 192.593 0.428323 -66.4053 -10.4788 150.262 6.40317 115.04 PRESSAVG: 1612400 -22.8158 -6.70853 -8.22355 -6.70851 42.4035 -20.2506 -8.22362 -20.2505 10.4968 GPRESSAVG: 1612400 -23.4324 -5.51771 -8.99159 -5.62867 41.629 -18.3321 -7.87293 -20.4741 11.5253 TIMING: 1612400 CPU: 5134.39, 0.00325482/step Wall: 5134.39, 0.00325481/step, 3.06278 hours remaining, 241.617188 MB of memory in use. ENERGY: 1612400 3973.5917 20647.4227 14643.7165 246.5358 -203675.0464 2617.1939 0.0000 0.0000 51976.5523 -109570.0336 298.7100 -161546.5859 -109216.7874 298.9584 23.2955 50.3485 759106.4109 10.0282 9.9073 PRESSURE: 1612600 -127.732 -12.186 -9.12823 -12.1865 -8.64667 -101.478 -9.12853 -101.479 -90.5976 GPRESSURE: 1612600 -43.3565 -36.213 -73.71 -61.471 41.7876 -38.7326 -14.1068 -112.782 -140.628 PRESSAVG: 1612600 31.7275 -24.6369 -64.0766 -24.6368 -0.874084 -7.99243 -64.0766 -7.99245 5.46068 GPRESSAVG: 1612600 31.0172 -23.3331 -63.1389 -24.5311 -0.275204 -9.90442 -64.9006 -8.86745 5.23544 TIMING: 1612600 CPU: 5135.02, 0.00316234/step Wall: 5135.02, 0.00316234/step, 2.97559 hours remaining, 241.761719 MB of memory in use. ENERGY: 1612600 4014.3992 20502.0014 14468.2156 243.4950 -203675.2489 2561.7963 0.0000 0.0000 52105.6875 -109779.6538 299.4521 -161885.3413 -109404.5930 299.0974 -75.6589 -47.3990 761306.0992 12.1047 11.9925 PRESSURE: 1612800 84.6659 224.878 267.361 224.878 150.075 -44.4627 267.361 -44.4624 -168.462 GPRESSURE: 1612800 137.701 50.2748 295.4 135.003 132.37 -54.755 59.7012 70.0087 -117.078 PRESSAVG: 1612800 -6.54728 -28.6989 26.4697 -28.6989 -17.8271 -18.6082 26.4697 -18.6081 30.4327 GPRESSAVG: 1612800 -5.65947 -32.4375 26.8037 -30.5183 -18.2882 -16.8063 25.9777 -17.0178 29.6777 TIMING: 1612800 CPU: 5135.66, 0.00316338/step Wall: 5135.66, 0.00316338/step, 2.97639 hours remaining, 241.761719 MB of memory in use. ENERGY: 1612800 3977.5460 20693.2572 14519.8973 233.4672 -203883.8553 2922.2204 0.0000 0.0000 51846.6683 -109690.7990 297.9635 -161537.4673 -109337.3630 299.4776 22.0930 50.9977 759313.0802 2.0194 1.9100 PRESSURE: 1613000 382.513 -41.467 87.3985 -41.4672 -126.361 12.8774 87.4002 12.8766 -234.07 GPRESSURE: 1613000 375.546 71.6099 86.2042 -31.6275 -97.8435 39.1981 75.7112 5.70054 -171.831 PRESSAVG: 1613000 -11.2151 -6.62584 -6.80062 -6.62581 -4.21886 22.4454 -6.80062 22.4454 -6.39661 GPRESSAVG: 1613000 -10.9017 -4.06183 -6.49992 -5.20402 -4.61875 21.6694 -8.66996 25.0871 -6.09511 TIMING: 1613000 CPU: 5136.29, 0.00317739/step Wall: 5136.29, 0.00317739/step, 2.9894 hours remaining, 241.761719 MB of memory in use. ENERGY: 1613000 3932.5792 20635.4053 14418.9908 254.1007 -203886.6744 2915.0009 0.0000 0.0000 51918.3687 -109812.2287 298.3756 -161730.5974 -109457.4991 299.3494 7.3604 35.2903 759640.0363 -7.2769 -7.2052 PRESSURE: 1613200 -11.6645 132.337 -91.5597 132.337 -79.0868 -10.0634 -91.56 -10.0637 23.7482 GPRESSURE: 1613200 0.313564 60.5055 -48.9376 144.816 -13.1896 75.6254 -98.6462 -19.324 30.0307 PRESSAVG: 1613200 34.2163 17.5493 -2.05529 17.5493 -20.5387 8.54157 -2.05534 8.54165 12.4114 GPRESSAVG: 1613200 34.2514 18.8873 -2.17379 17.6681 -19.645 7.84361 -0.410606 5.28958 12.4863 TIMING: 1613200 CPU: 5136.93, 0.00317534/step Wall: 5136.93, 0.00317534/step, 2.98729 hours remaining, 241.761719 MB of memory in use. ENERGY: 1613200 3921.9895 20524.6524 14438.1656 240.3975 -204008.3282 2726.2469 0.0000 0.0000 52189.6084 -109967.2678 299.9344 -162156.8762 -109601.1706 298.3288 -22.3344 5.7182 759731.1005 8.6963 9.0309 PRESSURE: 1613400 100.849 -62.0005 -188.155 -62.001 93.6705 130.257 -188.156 130.257 43.2693 GPRESSURE: 1613400 196.352 -88.9664 -243.047 17.29 103.164 130.491 -119.661 100.479 11.2849 PRESSAVG: 1613400 40.0179 1.17752 14.3279 1.17751 -40.9243 -5.69846 14.3279 -5.69841 4.27177 GPRESSAVG: 1613400 40.9233 0.911429 12.5569 1.46588 -40.634 -4.97514 16.5487 -4.71342 3.983 TIMING: 1613400 CPU: 5137.56, 0.00316167/step Wall: 5137.56, 0.00316167/step, 2.97426 hours remaining, 241.761719 MB of memory in use. ENERGY: 1613400 4005.5851 20465.7379 14507.6817 248.0487 -203896.2038 2613.9016 0.0000 0.0000 51835.7967 -110219.4522 297.9010 -162055.2489 -109862.6631 298.3388 79.2629 103.6001 757487.0729 1.1218 1.4241 PRESSURE: 1613600 -294.295 -8.2656 -137.417 -8.26538 -131.295 -155.973 -137.417 -155.973 472.209 GPRESSURE: 1613600 -186.764 68.5809 -128.306 97.4175 -101.498 -168.485 -160.841 -44.668 405.752 PRESSAVG: 1613600 17.1982 -16.6921 19.6117 -16.6921 -34.8695 35.1081 19.6117 35.108 -14.5893 GPRESSAVG: 1613600 18.9208 -15.5026 20.0765 -17.7809 -36.9691 35.0775 19.1462 35.8487 -14.3646 TIMING: 1613600 CPU: 5138.19, 0.00316374/step Wall: 5138.19, 0.00316375/step, 2.97603 hours remaining, 241.761719 MB of memory in use. ENERGY: 1613600 3933.0410 20582.4812 14426.4279 235.0626 -203608.2413 2604.5238 0.0000 0.0000 51958.0364 -109868.6684 298.6035 -161826.7048 -109509.8310 298.1344 15.5395 39.1633 760978.6007 -10.7535 -10.8043 PRESSURE: 1613800 11.9493 -33.7147 48.4807 -33.7141 261.122 -67.6404 48.4803 -67.6394 151.299 GPRESSURE: 1613800 23.9899 -30.8669 70.1099 -62.5238 272.128 -57.2519 -57.1722 -105.778 206.262 PRESSAVG: 1613800 61.4872 -18.9612 -30.3097 -18.9611 -101.896 32.2792 -30.3097 32.2792 0.652768 GPRESSAVG: 1613800 58.8074 -20.3101 -28.8929 -18.3649 -100.145 32.341 -33.5371 31.0657 1.66973 TIMING: 1613800 CPU: 5138.83, 0.00317796/step Wall: 5138.83, 0.00317796/step, 2.98923 hours remaining, 241.761719 MB of memory in use. ENERGY: 1613800 3900.0003 20544.6263 14523.2107 253.6681 -203874.1527 2792.9629 0.0000 0.0000 51946.4260 -109913.2584 298.5368 -161859.6844 -109549.3311 298.4597 141.4570 167.4599 761021.5674 -13.2519 -13.2226 PRESSURE: 1614000 -254.603 177.88 223.12 177.879 215.808 337.036 223.12 337.035 -43.916 GPRESSURE: 1614000 -124.803 103.642 142.946 55.2935 137.128 362.36 134.564 216.24 9.62333 PRESSAVG: 1614000 -3.40395 21.9084 -12.8176 21.9084 2.85685 -0.223746 -12.8176 -0.223681 -5.19108 GPRESSAVG: 1614000 -1.68347 18.9528 -13.0382 24.1954 1.9964 -2.07208 -11.5926 0.896664 -6.04187 TIMING: 1614000 CPU: 5139.46, 0.00317434/step Wall: 5139.46, 0.00317434/step, 2.98565 hours remaining, 241.761719 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: 1614000 3989.9572 20558.3045 14468.8325 238.1318 -204096.9306 2848.8818 0.0000 0.0000 51949.7558 -110043.0669 298.5560 -161992.8227 -109682.8854 298.3266 -27.5704 7.3160 759569.9115 -1.9127 -1.9096 PRESSURE: 1614200 -154.57 75.8668 -231.152 75.8669 -206.245 -167.992 -231.151 -167.992 71.9722 GPRESSURE: 1614200 -108.506 -9.60358 -267.65 144.33 -191.847 -198.364 -145.09 -175.858 61.0014 PRESSAVG: 1614200 26.8139 -0.148277 -13.3937 -0.148274 20.5214 24.5527 -13.3937 24.5528 18.4365 GPRESSAVG: 1614200 26.1211 1.16419 -14.6402 -3.1795 20.9748 26.1937 -12.0309 22.5429 17.8691 TIMING: 1614200 CPU: 5140.09, 0.00314981/step Wall: 5140.09, 0.00314981/step, 2.96239 hours remaining, 241.761719 MB of memory in use. ENERGY: 1614200 3932.7938 20660.3053 14475.6095 251.0358 -203597.5571 2530.5130 0.0000 0.0000 51640.4850 -110106.8148 296.7786 -161747.2997 -109746.6304 297.8815 -96.2811 -79.7839 761209.9282 21.9240 21.6550 PRESSURE: 1614400 -111.286 70.9651 60.4547 70.9661 -520.543 44.6474 60.4552 44.6485 -144.32 GPRESSURE: 1614400 -165.099 96.122 48.4246 88.2794 -461.489 100.044 111.826 82.0158 -65.4653 PRESSAVG: 1614400 23.2208 42.1723 10.8182 42.1723 -6.47433 2.88049 10.8183 2.88046 -19.6157 GPRESSAVG: 1614400 21.2409 42.8084 12.7725 44.6154 -4.41718 4.70753 9.0467 4.67189 -19.8019 TIMING: 1614400 CPU: 5140.72, 0.0031588/step Wall: 5140.72, 0.0031588/step, 2.97067 hours remaining, 241.761719 MB of memory in use. ENERGY: 1614400 3956.7037 20424.1216 14442.5149 236.8418 -203012.9991 2186.0638 0.0000 0.0000 51751.4468 -110015.3064 297.4163 -161766.7532 -109653.3737 297.8835 -258.7164 -230.6844 759107.3717 -0.9564 -0.9927 PRESSURE: 1614600 169.185 -130.116 -67.3109 -130.117 -123.141 56.3452 -67.3106 56.3452 -84.6303 GPRESSURE: 1614600 228.159 -193.894 -76.113 -271.878 -15.3268 35.815 27.6865 26.4771 -126.075 PRESSAVG: 1614600 54.8429 10.0413 52.5559 10.0413 -38.2416 14.8599 52.5559 14.86 37.7557 GPRESSAVG: 1614600 56.6436 9.36044 53.4115 6.3192 -39.4018 14.5221 52.4151 12.4822 36.7697 TIMING: 1614600 CPU: 5141.36, 0.00315899/step Wall: 5141.36, 0.00315899/step, 2.97068 hours remaining, 241.761719 MB of memory in use. ENERGY: 1614600 3945.1619 20373.9500 14455.0321 263.6643 -203764.4217 2731.8780 0.0000 0.0000 52018.8747 -109975.8609 298.9532 -161994.7356 -109618.1377 298.1476 -12.8620 28.9191 758859.2133 18.1190 18.0038 PRESSURE: 1614800 -331.644 79.2768 -99.7523 79.2775 -78.5806 26.2504 -99.7524 26.251 -124.969 GPRESSURE: 1614800 -352.509 81.9015 -52.7537 73.4491 2.80101 122.563 -37.3082 14.8044 -102.42 PRESSAVG: 1614800 -42.488 -12.6162 4.38054 -12.6161 13.6518 -3.2242 4.38056 -3.22424 5.55086 GPRESSAVG: 1614800 -43.178 -10.5084 2.20674 -11.6626 13.3228 -4.6564 5.51481 -0.339733 5.91604 TIMING: 1614800 CPU: 5141.98, 0.00314042/step Wall: 5141.98, 0.00314042/step, 2.95304 hours remaining, 241.761719 MB of memory in use. ENERGY: 1614800 3987.0391 20380.3968 14584.5732 239.6371 -203032.0686 2196.7612 0.0000 0.0000 51771.3614 -109872.2997 297.5307 -161643.6611 -109497.1998 298.1572 -178.3980 -150.7095 759888.9902 -7.7618 -7.9797 PRESSURE: 1615000 -111.618 34.4322 30.1927 34.4318 -22.6197 52.2271 30.1933 52.2265 -102.005 GPRESSURE: 1615000 -28.6228 99.4665 5.9198 -99.2817 -63.7682 45.9957 -61.7828 82.5764 -70.1081 PRESSAVG: 1615000 20.3828 -17.8554 20.5307 -17.8554 -34.3055 -3.45309 20.5308 -3.4531 16.7546 GPRESSAVG: 1615000 19.858 -20.3099 20.4471 -16.9794 -33.561 -2.63428 21.4485 -3.74823 16.9567 TIMING: 1615000 CPU: 5142.62, 0.00316188/step Wall: 5142.62, 0.00316188/step, 2.97304 hours remaining, 241.761719 MB of memory in use. ENERGY: 1615000 3997.3446 20461.1999 14443.9869 245.2971 -203400.8227 2538.0691 0.0000 0.0000 52116.4820 -109598.4431 299.5141 -161714.9251 -109236.2002 298.8095 -78.7474 -54.1664 760909.5884 0.9440 1.0846 PRESSURE: 1615200 251.784 48.73 -180.301 48.7307 -201.189 35.4866 -180.3 35.4867 170.583 GPRESSURE: 1615200 281.24 -15.5178 -240.863 25.6525 -195.914 30.287 -284.045 88.6371 199.078 PRESSAVG: 1615200 91.0831 -9.97121 74.2442 -9.97121 -37.4381 -46.1578 74.2442 -46.1578 -6.76272 GPRESSAVG: 1615200 91.1837 -9.1335 73.9337 -10.3334 -36.8044 -48.0395 71.2125 -45.058 -7.55056 TIMING: 1615200 CPU: 5143.25, 0.00317902/step Wall: 5143.25, 0.00317902/step, 2.98899 hours remaining, 241.761719 MB of memory in use. ENERGY: 1615200 3994.7171 20686.9002 14478.3118 231.7137 -203641.6695 2463.0233 0.0000 0.0000 52339.4990 -109447.5042 300.7958 -161787.0033 -109086.5465 299.4933 73.7260 94.8010 758820.5444 15.6274 15.6096 PRESSURE: 1615400 214.222 -181.981 -3.64542 -181.981 64.43 -259.606 -3.64484 -259.606 -210.466 GPRESSURE: 1615400 256.204 -74.2298 -121.217 -158.87 -15.9714 -278.369 -69.0142 -250.743 -102.42 PRESSAVG: 1615400 36.3815 -26.2616 9.93936 -26.2616 -2.36097 -47.2329 9.93935 -47.233 3.40709 GPRESSAVG: 1615400 36.3493 -25.9327 9.78359 -27.9101 -3.05474 -44.7111 13.1412 -48.3738 4.33975 TIMING: 1615400 CPU: 5143.89, 0.00317212/step Wall: 5143.89, 0.00317212/step, 2.98232 hours remaining, 241.761719 MB of memory in use. ENERGY: 1615400 4057.2033 20664.6050 14479.0256 231.1268 -203572.6736 2543.0049 0.0000 0.0000 52188.7717 -109408.9365 299.9296 -161597.7081 -109050.5516 299.9384 22.7285 45.9376 758143.5583 12.4759 12.5448 PRESSURE: 1615600 -277.601 -57.0771 212.931 -57.0773 -56.3545 -48.0259 212.932 -48.0255 291.792 GPRESSURE: 1615600 -246.921 -70.8984 214.19 78.0783 -24.788 24.9888 191.54 -135.314 315.473 PRESSAVG: 1615600 29.6833 -60.2515 79.7393 -60.2515 9.28074 16.3292 79.7392 16.3291 -15.4608 GPRESSAVG: 1615600 30.6185 -62.0276 80.881 -57.2686 9.05455 14.9614 78.2828 17.6187 -16.4914 TIMING: 1615600 CPU: 5144.51, 0.00314/step Wall: 5144.51, 0.00314/step, 2.95195 hours remaining, 241.761719 MB of memory in use. ENERGY: 1615600 3934.1786 20650.1687 14508.2597 247.7062 -203528.7657 2638.8443 0.0000 0.0000 52383.6683 -109165.9400 301.0497 -161549.6082 -108799.1535 300.2858 -14.0545 14.5882 759776.9805 7.8344 7.7272 PRESSURE: 1615800 -41.5744 -0.32948 -171.539 -0.329117 244.345 13.4199 -171.539 13.4196 329.542 GPRESSURE: 1615800 -11.0339 -25.8567 -182.872 -5.05287 295.232 -9.47364 -160.308 3.51877 315.471 PRESSAVG: 1615800 38.3539 22.3294 32.1961 22.3293 -30.1878 -20.4708 32.1961 -20.4708 15.2038 GPRESSAVG: 1615800 37.0844 24.4391 32.6411 20.9206 -29.2274 -20.821 32.8014 -21.6603 15.584 TIMING: 1615800 CPU: 5145.14, 0.00315035/step Wall: 5145.14, 0.00315035/step, 2.96151 hours remaining, 241.761719 MB of memory in use. ENERGY: 1615800 3973.1144 20737.9570 14499.5593 248.6172 -203635.1321 2722.8875 0.0000 0.0000 52284.0228 -109168.9738 300.4770 -161452.9967 -108818.0390 300.3757 177.4377 199.8898 759316.6540 7.7900 7.8137 PRESSURE: 1616000 -51.3002 -199.618 9.84764 -199.618 -111.974 -238.78 9.84738 -238.779 151.17 GPRESSURE: 1616000 -5.75301 -230.984 -42.3696 -248.658 -26.4926 -182.185 -63.378 -167.073 110.987 PRESSAVG: 1616000 -13.791 -38.5139 13.5965 -38.5139 -15.4565 24.5111 13.5965 24.5111 2.58927 GPRESSAVG: 1616000 -12.834 -39.7728 13.0268 -37.7897 -16.0313 27.48 13.7319 23.2445 2.52469 TIMING: 1616000 CPU: 5145.78, 0.00316532/step Wall: 5145.78, 0.00316532/step, 2.9754 hours remaining, 241.761719 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: 1616000 4111.3412 20477.8366 14529.1115 251.9474 -203323.4745 2493.5855 0.0000 0.0000 52407.6182 -109052.0341 301.1873 -161459.6523 -108685.7497 300.2277 -4.0345 26.2471 760623.3390 -8.8860 -8.7802 PRESSURE: 1616200 -0.178569 -164.161 98.7373 -164.161 -134.212 93.5202 98.7369 93.5182 -239.493 GPRESSURE: 1616200 -48.2314 -187.68 151.133 -135.648 -81.5075 0.136961 127.785 -13.624 -172.059 PRESSAVG: 1616200 -60.1298 -35.6959 64.4308 -35.6959 58.4012 14.3627 64.4308 14.3627 -1.86955 GPRESSAVG: 1616200 -59.5575 -36.2801 65.5254 -36.8811 57.3455 12.5475 63.1905 15.5806 -1.46791 TIMING: 1616200 CPU: 5146.41, 0.003168/step Wall: 5146.41, 0.003168/step, 2.97774 hours remaining, 241.761719 MB of memory in use. ENERGY: 1616200 4019.8292 20549.3484 14522.0767 241.6894 -203227.6758 2691.8326 0.0000 0.0000 52107.8105 -109095.0890 299.4643 -161202.8995 -108733.8012 299.8942 -124.6278 -100.5993 762391.7742 -1.1994 -1.2266 LDB: ============= START OF LOAD BALANCING ============== 5158.87 LDB: ============== END OF LOAD BALANCING =============== 5158.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5158.87 LDB: ============= START OF LOAD BALANCING ============== 5159.19 LDB: Largest compute 7059 load 0.038041 is 19.5% of average load 0.195168 LDB: Average compute 0.004407 is 2.3% of average load 0.195168 LDB: TIME 5159.19 LOAD: AVG 0.195168 MAX 0.212799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.211 MB LDB: TIME 5159.19 LOAD: AVG 0.195168 MAX 0.212799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: TIME 5159.19 LOAD: AVG 0.195168 MAX 0.212799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: ============== END OF LOAD BALANCING =============== 5159.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5159.2 PRESSURE: 1616400 -416.343 149.9 191.4 149.9 291.954 -49.5609 191.4 -49.5596 14.0086 GPRESSURE: 1616400 -303.263 82.0707 168.19 101.699 284.861 -109.21 179.315 109.521 -15.9391 PRESSAVG: 1616400 62.9786 -26.5353 69.4795 -26.5354 -28.0293 7.24368 69.4795 7.24367 35.434 GPRESSAVG: 1616400 62.3902 -24.5451 66.3531 -27.1853 -27.8075 6.94781 70.5248 7.24296 35.3511 TIMING: 1616400 CPU: 5147.06, 0.00325115/step Wall: 5147.06, 0.00325115/step, 3.05572 hours remaining, 240.699219 MB of memory in use. ENERGY: 1616400 4028.3914 20610.3878 14473.5270 247.9950 -203210.6402 2784.5510 0.0000 0.0000 51870.3471 -109195.4409 298.0996 -161065.7881 -108845.9107 299.6573 -36.7934 -11.4470 762177.9188 23.4611 23.3113 PRESSURE: 1616600 -0.0785771 -0.539608 -383.912 -0.5401 -210.313 11.6337 -383.911 11.6323 239.727 GPRESSURE: 1616600 84.7411 97.1127 -427.053 -4.55684 -194.568 -6.38756 -424.194 -3.42664 222.491 PRESSAVG: 1616600 -26.2207 -4.79446 6.26168 -4.7945 2.3975 -16.5141 6.26166 -16.514 0.967779 GPRESSAVG: 1616600 -26.532 -3.05204 7.53693 -2.83356 3.34693 -16.3769 7.71232 -18.4913 0.589478 TIMING: 1616600 CPU: 5147.69, 0.00317052/step Wall: 5147.69, 0.00317052/step, 2.97976 hours remaining, 240.738281 MB of memory in use. ENERGY: 1616600 4031.4290 20390.4189 14473.9744 237.0468 -202932.9781 2505.8087 0.0000 0.0000 52140.4282 -109153.8721 299.6518 -161294.3003 -108789.3565 299.7479 9.7784 37.5547 763207.2486 -7.6185 -7.5319 PRESSURE: 1616800 416.476 54.7729 2.87769 54.773 59.1837 -186.203 2.87813 -186.204 -212.335 GPRESSURE: 1616800 374.683 85.3725 -3.53729 -49.5408 133.336 -181.082 -23.5158 -197.231 -161.011 PRESSAVG: 1616800 28.5643 3.76686 52.2464 3.76686 -59.5019 10.7384 52.2464 10.7385 24.4129 GPRESSAVG: 1616800 28.589 2.10092 51.8513 3.46687 -60.5118 10.7109 49.5726 14.1205 24.9899 TIMING: 1616800 CPU: 5148.33, 0.00317128/step Wall: 5148.33, 0.00317128/step, 2.9803 hours remaining, 240.738281 MB of memory in use. ENERGY: 1616800 3943.8231 20582.1238 14495.9757 237.0089 -203504.0830 2781.6205 0.0000 0.0000 52321.0622 -109142.4687 300.6899 -161463.5309 -108764.9289 300.0258 87.7749 115.6696 761106.0383 -2.1749 -2.3110 PRESSURE: 1617000 -181.113 -142.13 52.8414 -142.13 8.42241 102.652 52.8411 102.653 -102.272 GPRESSURE: 1617000 -108.131 11.2893 45.9813 -213.818 -34.3526 122.912 162.632 132.457 -63.3282 PRESSAVG: 1617000 35.2734 1.48326 73.5493 1.48328 -16.6871 3.91473 73.5493 3.91475 -6.2951 GPRESSAVG: 1617000 36.7787 1.81964 73.9959 2.08023 -17.2229 3.17153 75.2275 3.49026 -7.5295 TIMING: 1617000 CPU: 5148.96, 0.00315673/step Wall: 5148.96, 0.00315673/step, 2.96645 hours remaining, 240.738281 MB of memory in use. ENERGY: 1617000 4027.5633 20453.6518 14483.5536 244.9173 -203093.9823 2634.4963 0.0000 0.0000 52173.2067 -109076.5933 299.8401 -161249.8000 -108706.5518 299.7155 -91.6540 -68.6040 762445.5195 4.0971 4.0088 PRESSURE: 1617200 238.958 -116.85 -209.409 -116.85 -14.0837 -111.852 -209.409 -111.852 179.226 GPRESSURE: 1617200 302.46 -122.586 -201.25 -104.796 8.1747 -20.944 -171.583 -56.0403 180.338 PRESSAVG: 1617200 -5.19038 -2.77397 8.50842 -2.774 -9.24286 1.74805 8.5085 1.74812 -5.02783 GPRESSAVG: 1617200 -6.88361 -3.48287 9.3125 -3.11651 -8.38727 2.41085 9.47577 1.37142 -4.55168 TIMING: 1617200 CPU: 5149.59, 0.00315986/step Wall: 5149.59, 0.00315986/step, 2.96921 hours remaining, 240.937500 MB of memory in use. ENERGY: 1617200 3936.5098 20485.0488 14469.2673 242.1672 -203210.5216 2749.8371 0.0000 0.0000 52155.6193 -109172.0722 299.7391 -161327.6915 -108808.0213 299.8854 134.7002 163.6576 762300.3761 -6.4870 -6.6075 PRESSURE: 1617400 -89.2553 -68.4301 158.03 -68.4302 -247.098 44.2286 158.03 44.2293 -203.411 GPRESSURE: 1617400 -93.936 -98.7537 186.331 -8.50825 -149.612 64.3884 122.677 -0.8756 -210.798 PRESSAVG: 1617400 28.0552 -31.6573 23.5144 -31.6572 0.659112 35.0002 23.5144 35.0002 8.74646 GPRESSAVG: 1617400 27.9478 -32.1207 24.1567 -28.9334 0.870195 33.4039 21.6625 35.0545 8.28721 TIMING: 1617400 CPU: 5150.23, 0.00320564/step Wall: 5150.23, 0.00320565/step, 3.01206 hours remaining, 240.937500 MB of memory in use. ENERGY: 1617400 4016.6629 20513.2712 14487.2241 253.9294 -202559.7763 2131.6016 0.0000 0.0000 52088.6065 -109068.4806 299.3539 -161157.0870 -108700.7972 299.7830 -179.9212 -151.4487 763369.0511 12.4869 12.3684 PRESSURE: 1617600 380.108 151.007 -87.092 151.007 -175.036 -108.524 -87.0921 -108.525 -5.83479 GPRESSURE: 1617600 370.044 153.999 -148.801 123.486 -191.478 -64.1115 -52.629 -40.4274 98.8226 PRESSAVG: 1617600 49.5805 -24.3747 -15.3032 -24.3747 -25.1809 53.5983 -15.3032 53.5983 -7.01743 GPRESSAVG: 1617600 49.3436 -25.5236 -15.8136 -26.9571 -25.7209 55.9792 -14.6039 53.0747 -6.54791 TIMING: 1617600 CPU: 5150.87, 0.00319896/step Wall: 5150.87, 0.00319896/step, 3.0056 hours remaining, 240.937500 MB of memory in use. ENERGY: 1617600 3988.4957 20638.3178 14515.3442 247.4520 -203268.1583 2704.2151 0.0000 0.0000 52071.0234 -109103.3100 299.2529 -161174.3334 -108738.7489 299.4292 66.4125 92.4626 761477.3583 5.7941 5.6916 PRESSURE: 1617800 168.74 81.2884 -210.248 81.2879 87.0368 -178.815 -210.248 -178.815 166.449 GPRESSURE: 1617800 208.142 105.89 -218.311 -61.4479 177.929 -83.1005 -105.737 -107.642 124.391 PRESSAVG: 1617800 10.9239 -43.0803 5.61333 -43.0803 -3.34725 20.0288 5.61335 20.0288 -7.37119 GPRESSAVG: 1617800 11.7063 -40.7007 4.91361 -40.243 -3.27928 20.7637 3.94162 20.8132 -7.69407 TIMING: 1617800 CPU: 5151.52, 0.00322581/step Wall: 5151.52, 0.00322581/step, 3.03065 hours remaining, 240.937500 MB of memory in use. ENERGY: 1617800 3964.3411 20577.9263 14462.5679 229.5752 -202882.3888 2488.9518 0.0000 0.0000 52126.8735 -109032.1529 299.5739 -161159.0264 -108679.0833 299.6560 140.7417 170.1538 763277.2176 0.0685 0.2443 PRESSURE: 1618000 -557.992 34.1959 -67.3853 34.1962 -148.704 129.615 -67.3855 129.616 162.296 GPRESSURE: 1618000 -526.673 -92.4327 -60.0859 -46.0175 -93.6073 156.967 32.6525 159.125 190.293 PRESSAVG: 1618000 0.951881 -26.8014 -25.7594 -26.8015 5.03721 18.8462 -25.7594 18.8462 26.437 GPRESSAVG: 1618000 0.472757 -27.9501 -24.7807 -29.9691 4.69055 19.6127 -22.4763 17.7432 27.6524 TIMING: 1618000 CPU: 5152.15, 0.00316121/step Wall: 5152.15, 0.00316121/step, 2.96978 hours remaining, 240.937500 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: 1618000 4007.3099 20571.9705 14526.9268 244.3764 -202823.5632 2290.6185 0.0000 0.0000 52025.8369 -109156.5243 298.9932 -161182.3612 -108796.7810 299.6198 -181.4666 -143.3290 763324.8619 10.8087 10.9386 PRESSURE: 1618200 258.363 -355.498 227.424 -355.499 226.978 -72.1319 227.424 -72.1309 -390.202 GPRESSURE: 1618200 256.909 -319.759 132.394 -284.762 237.483 -6.02416 217.504 49.0103 -322.107 PRESSAVG: 1618200 -23.5624 -15.1773 36.1895 -15.1773 5.6315 60.8896 36.1895 60.8895 -2.61433 GPRESSAVG: 1618200 -23.4214 -14.4337 34.8523 -13.7985 5.18587 59.3143 33.9304 61.7448 -2.70882 TIMING: 1618200 CPU: 5152.78, 0.00316562/step Wall: 5152.78, 0.00316562/step, 2.97375 hours remaining, 240.937500 MB of memory in use. ENERGY: 1618200 3995.3503 20622.0184 14486.5399 242.8521 -203574.1870 2737.5815 0.0000 0.0000 52479.5633 -109010.2815 301.6008 -161489.8448 -108653.1053 299.8647 31.7130 57.4284 763710.2464 -6.8484 -6.9815 PRESSURE: 1618400 -105.201 126.545 -89.5868 126.545 -8.06305 72.704 -89.5871 72.704 28.0507 GPRESSURE: 1618400 -52.9669 220.657 -75.9205 103.528 41.6877 68.0017 -37.4807 58.5848 42.0796 PRESSAVG: 1618400 -21.2411 -39.6197 34.8843 -39.6197 18.7773 -11.3516 34.8844 -11.3516 -19.1365 GPRESSAVG: 1618400 -20.8275 -40.2451 35.0878 -39.2945 18.3791 -11.9553 33.2218 -12.3238 -18.9087 TIMING: 1618400 CPU: 5153.42, 0.00315949/step Wall: 5153.42, 0.00315949/step, 2.96781 hours remaining, 240.937500 MB of memory in use. ENERGY: 1618400 4041.4091 20592.3033 14447.6278 260.8922 -203585.6076 2745.7729 0.0000 0.0000 52435.4598 -109062.1426 301.3473 -161497.6024 -108692.8924 299.8497 -28.4045 10.2668 762868.2712 -7.2001 -7.1190 PRESSURE: 1618600 157.164 230.832 55.9775 230.831 -176.316 150.624 55.9772 150.625 -128.394 GPRESSURE: 1618600 70.4765 187.999 59.6976 163.57 -97.9346 254.72 68.024 95.1101 -33.7924 PRESSAVG: 1618600 2.03001 -30.1668 -9.61443 -30.1669 -6.79335 11.1067 -9.61442 11.1067 -3.13448 GPRESSAVG: 1618600 1.29205 -30.229 -8.95674 -29.1909 -5.77869 10.1452 -8.36748 13.4707 -3.2589 TIMING: 1618600 CPU: 5154.05, 0.00315954/step Wall: 5154.05, 0.00315954/step, 2.96768 hours remaining, 241.007812 MB of memory in use. ENERGY: 1618600 4005.3695 20717.3594 14494.2185 235.4995 -203356.7247 2780.1423 0.0000 0.0000 52009.5269 -109114.6086 298.8995 -161124.1354 -108759.0826 299.7972 -49.1817 -20.4168 762552.9687 -2.6326 -2.5818 PRESSURE: 1618800 -285.972 -87.9495 -176.943 -87.95 -233.63 203.521 -176.943 203.521 -20.7363 GPRESSURE: 1618800 -282.177 -114.859 -166.749 -64.2451 -192.424 292.929 -233.621 260.479 10.9214 PRESSAVG: 1618800 -17.6271 4.446 2.6439 4.44599 40.2852 -10.0858 2.64384 -10.0858 25.8926 GPRESSAVG: 1618800 -18.7245 6.73567 3.25491 2.61746 39.7652 -9.17779 3.15085 -10.3902 27.278 TIMING: 1618800 CPU: 5154.68, 0.00317576/step Wall: 5154.68, 0.00317576/step, 2.98275 hours remaining, 241.007812 MB of memory in use. ENERGY: 1618800 3946.8702 20729.3002 14535.8593 259.5224 -203206.5601 2388.5370 0.0000 0.0000 52006.1569 -109340.3141 298.8801 -161346.4710 -108982.9914 299.8499 -180.1129 -154.5598 761910.2011 16.1836 16.1062 PRESSURE: 1619000 159.038 -156.496 97.9311 -156.496 148.905 -29.6265 97.9316 -29.6274 385.162 GPRESSURE: 1619000 206.891 -86.1142 126.956 -191.336 201.479 -28.9638 126.732 -49.2789 360.154 PRESSAVG: 1619000 -35.4053 -22.7458 15.5384 -22.7458 52.802 33.1747 15.5384 33.1748 3.71634 GPRESSAVG: 1619000 -34.2994 -22.506 14.098 -24.8293 53.6434 32.5492 16.5347 31.71 1.79445 TIMING: 1619000 CPU: 5155.32, 0.00318322/step Wall: 5155.32, 0.00318322/step, 2.98958 hours remaining, 241.007812 MB of memory in use. ENERGY: 1619000 3995.3783 20650.2417 14506.0674 236.3353 -203537.2417 2735.6974 0.0000 0.0000 52002.9249 -109410.5968 298.8615 -161413.5217 -109051.5597 299.8586 231.0351 256.1749 759396.9437 7.0377 7.0462 PRESSURE: 1619200 -164.838 -61.558 -313.927 -61.5579 162.552 -124.087 -313.927 -124.085 35.1184 GPRESSURE: 1619200 -176.224 -26.5131 -350.473 -174.463 239.479 -65.5653 -306.338 -132.245 53.2587 PRESSAVG: 1619200 -5.84167 -17.0995 -16.3008 -17.0995 -12.9319 10.6715 -16.3008 10.6716 -0.621503 GPRESSAVG: 1619200 -7.48755 -20.2117 -15.48 -14.8493 -11.6265 11.122 -18.6664 13.1958 -0.606181 TIMING: 1619200 CPU: 5155.95, 0.00315567/step Wall: 5155.95, 0.00315567/step, 2.96352 hours remaining, 241.007812 MB of memory in use. ENERGY: 1619200 3956.3346 20458.4135 14400.1871 246.0633 -203179.8388 2557.5342 0.0000 0.0000 52374.0290 -109187.2772 300.9943 -161561.3062 -108813.4959 299.9721 10.9439 38.8380 759863.5561 -6.4650 -6.5734 PRESSURE: 1619400 284.434 175.265 160.68 175.266 72.0274 -82.3534 160.679 -82.3532 130.223 GPRESSURE: 1619400 294.465 165.969 107.247 194.586 152.709 -130.882 188.725 -54.5468 116.575 PRESSAVG: 1619400 24.8915 6.9356 24.7426 6.93558 -19.07 28.9731 24.7426 28.973 12.131 GPRESSAVG: 1619400 26.5608 6.78142 24.7293 7.22568 -20.598 28.1459 27.5984 27.8057 12.3957 TIMING: 1619400 CPU: 5156.58, 0.00314248/step Wall: 5156.58, 0.00314248/step, 2.95097 hours remaining, 241.007812 MB of memory in use. ENERGY: 1619400 4005.7647 20587.4958 14473.6953 248.1703 -203847.1802 2976.2709 0.0000 0.0000 52303.6684 -109252.1146 300.5899 -161555.7831 -108900.6609 299.3495 162.2281 187.9165 759282.9754 5.9842 6.1195 PRESSURE: 1619600 212.914 41.5946 100.902 41.5938 -5.59037 -44.6937 100.902 -44.6941 -30.8909 GPRESSURE: 1619600 197.326 73.4832 116.763 29.6759 1.70617 29.5741 -29.9785 -80.2909 51.5792 PRESSAVG: 1619600 66.8591 6.01854 6.31612 6.01847 -53.9749 23.7352 6.31616 23.7352 9.76997 GPRESSAVG: 1619600 66.632 7.09527 6.15976 5.66516 -53.1631 26.3763 5.37376 22.4921 8.90858 TIMING: 1619600 CPU: 5157.21, 0.00314988/step Wall: 5157.21, 0.00314988/step, 2.95774 hours remaining, 241.007812 MB of memory in use. ENERGY: 1619600 4028.3120 20401.0134 14457.1103 244.1616 -203009.5562 2493.0872 0.0000 0.0000 52032.9624 -109352.9093 299.0342 -161385.8717 -108979.3550 299.4261 58.8111 83.5371 760461.6776 7.5514 7.4591 PRESSURE: 1619800 -109.583 91.5703 -173.578 91.5712 -208.006 15.3298 -173.579 15.3295 -132.213 GPRESSURE: 1619800 -95.7625 30.7083 -145.401 302.012 -166.363 68.8992 -83.8531 33.7878 -101.663 PRESSAVG: 1619800 26.0782 36.7298 19.333 36.7297 -31.2901 49.9357 19.3329 49.9357 -13.4064 GPRESSAVG: 1619800 25.3467 37.2639 20.549 36.3689 -31.1143 49.0325 19.1517 49.6306 -13.0485 TIMING: 1619800 CPU: 5157.84, 0.00315114/step Wall: 5157.84, 0.00315114/step, 2.95874 hours remaining, 241.007812 MB of memory in use. ENERGY: 1619800 4039.3252 20489.5523 14468.9418 225.5506 -203234.7777 2488.9107 0.0000 0.0000 52195.3071 -109327.1900 299.9671 -161522.4971 -108959.8844 299.0987 -149.9335 -121.2628 762034.0214 -6.2061 -6.2720 PRESSURE: 1620000 -376.964 62.1962 162.39 62.1961 -180.631 104.354 162.39 104.353 121.301 GPRESSURE: 1620000 -270.083 -123.567 139.493 148.918 -114.548 85.241 126.631 189.39 54.8128 PRESSAVG: 1620000 -30.5508 -25.7093 -9.17713 -25.7094 20.3322 36.08 -9.17716 36.08 19.5921 GPRESSAVG: 1620000 -30.3387 -23.5297 -9.73243 -27.2679 20.2505 34.9212 -9.98137 37.159 19.637 TIMING: 1620000 CPU: 5158.47, 0.0031568/step Wall: 5158.47, 0.0031568/step, 2.96388 hours remaining, 241.007812 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: 1620000 4057.1328 20557.1992 14449.3123 241.4807 -203247.8213 2658.8766 0.0000 0.0000 51865.7622 -109418.0575 298.0732 -161283.8197 -109063.8235 299.6380 -145.4310 -109.9393 762396.2185 3.1245 3.1830 PRESSURE: 1620200 -153.734 -171.269 -31.5933 -171.268 117.028 69.5208 -31.5933 69.5201 72.7772 GPRESSURE: 1620200 -84.2621 -206.004 -36.9212 -111.474 121.578 127.328 -110.196 -15.9203 78.5369 PRESSAVG: 1620200 13.7595 16.6799 2.47658 16.6799 -14.6443 22.8474 2.47665 22.8473 22.7863 GPRESSAVG: 1620200 14.2318 17.2867 1.34987 16.1059 -14.2792 23.9936 2.49712 21.2523 21.9966 TIMING: 1620200 CPU: 5159.1, 0.00316352/step Wall: 5159.1, 0.00316352/step, 2.97002 hours remaining, 241.007812 MB of memory in use. ENERGY: 1620200 3988.1362 20416.6955 14435.6017 244.3342 -203428.2676 2759.1612 0.0000 0.0000 52261.6540 -109322.6849 300.3484 -161584.3389 -108965.8487 299.1882 12.0238 38.6176 762192.1893 7.3005 7.3164 LDB: ============= START OF LOAD BALANCING ============== 5171.56 LDB: ============== END OF LOAD BALANCING =============== 5171.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5171.56 LDB: ============= START OF LOAD BALANCING ============== 5171.87 LDB: Largest compute 7032 load 0.034644 is 17.8% of average load 0.195088 LDB: Average compute 0.004418 is 2.3% of average load 0.195088 LDB: TIME 5171.88 LOAD: AVG 0.195088 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.93 MB LDB: TIME 5171.88 LOAD: AVG 0.195088 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: TIME 5171.88 LOAD: AVG 0.195088 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: ============== END OF LOAD BALANCING =============== 5171.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5171.89 PRESSURE: 1620400 -95.421 -113.962 80.028 -113.962 -195.231 -39.8361 80.0278 -39.8366 -320.674 GPRESSURE: 1620400 -55.4191 -132.994 73.6268 -143.263 -128.715 -83.8451 133.949 -10.7668 -346.624 PRESSAVG: 1620400 13.5537 -43.6184 -33.3129 -43.6184 -4.35776 -31.9912 -33.3128 -31.9912 -17.3098 GPRESSAVG: 1620400 12.5406 -46.3349 -32.0185 -43.6138 -4.67175 -32.46 -31.7115 -30.5118 -16.2459 TIMING: 1620400 CPU: 5159.75, 0.00323239/step Wall: 5159.75, 0.00323239/step, 3.0345 hours remaining, 241.781250 MB of memory in use. ENERGY: 1620400 3980.1041 20676.4685 14464.0289 243.6218 -203054.2887 2407.3323 0.0000 0.0000 52137.8838 -109144.8493 299.6371 -161282.7331 -108785.8311 299.7641 -203.7755 -176.9193 760839.0456 -2.7046 -2.7923 PRESSURE: 1620600 -190.687 49.6176 108.867 49.6183 -193.482 -33.4573 108.867 -33.4568 32.637 GPRESSURE: 1620600 -117.372 134.441 63.5877 -17.9978 -168.063 -50.0948 171.311 41.5108 2.19414 PRESSAVG: 1620600 -33.3179 -29.1577 26.6113 -29.1577 15.2576 -7.03902 26.6112 -7.039 -12.0342 GPRESSAVG: 1620600 -31.6427 -28.7944 25.786 -27.9779 14.319 -6.28245 27.1343 -8.19606 -11.3696 TIMING: 1620600 CPU: 5160.38, 0.00316571/step Wall: 5160.38, 0.00316571/step, 2.97173 hours remaining, 241.984375 MB of memory in use. ENERGY: 1620600 3987.4265 20542.4014 14535.1137 241.0101 -203333.4031 2578.0566 0.0000 0.0000 52226.1198 -109223.2749 300.1442 -161449.3947 -108860.3346 300.0218 -117.1774 -94.4137 761839.6006 -10.0315 -9.5644 PRESSURE: 1620800 501.997 42.0151 75.1439 42.0146 275.466 -87.3165 75.1428 -87.3162 94.1199 GPRESSURE: 1620800 547.884 45.8392 64.4771 -88.1656 372.683 -52.2246 102.234 27.6577 13.1963 PRESSAVG: 1620800 -38.4106 -24.8241 26.7282 -24.8241 5.62666 -8.73625 26.7281 -8.73623 2.34584 GPRESSAVG: 1620800 -36.9861 -23.4617 26.3224 -25.5168 5.45299 -10.0199 23.8409 -5.66454 0.886357 TIMING: 1620800 CPU: 5161.01, 0.00315559/step Wall: 5161.01, 0.00315559/step, 2.96205 hours remaining, 241.984375 MB of memory in use. ENERGY: 1620800 3889.3745 20591.9980 14545.5140 257.1264 -203474.8249 2861.2567 0.0000 0.0000 52091.5040 -109238.0512 299.3706 -161329.5552 -108882.7231 299.9575 290.5275 311.2545 760156.5901 -10.1460 -10.2156 PRESSURE: 1621000 -127.959 93.2353 -312.521 93.2351 -192.379 34.8746 -312.522 34.8744 219.511 GPRESSURE: 1621000 -63.5876 -3.59494 -259.654 72.5874 -144.536 -9.10803 -165.23 35.2891 194.369 PRESSAVG: 1621000 -17.394 -45.1635 -2.53558 -45.1636 -8.54572 1.11323 -2.53558 1.11336 -10.8275 GPRESSAVG: 1621000 -20.4111 -47.2633 -1.63529 -43.8825 -6.42902 3.59473 -1.17356 -3.01005 -10.1049 TIMING: 1621000 CPU: 5161.65, 0.00318938/step Wall: 5161.65, 0.00318938/step, 2.99359 hours remaining, 241.984375 MB of memory in use. ENERGY: 1621000 3953.9335 20498.0175 14474.9957 250.0704 -203375.9460 2821.5330 0.0000 0.0000 52140.8524 -109236.5434 299.6542 -161377.3958 -108873.7919 299.6978 -33.6090 -4.5850 761359.7031 -12.2558 -12.3150 PRESSURE: 1621200 168.348 -78.7518 290.849 -78.7512 -71.6828 21.4219 290.848 21.4219 -151.931 GPRESSURE: 1621200 234.179 -33.9294 204.587 -106.088 -77.3988 11.0477 218.304 -21.6674 -115.006 PRESSAVG: 1621200 -9.10905 -28.2846 22.4925 -28.2846 -29.5908 -19.3662 22.4925 -19.3663 -8.5501 GPRESSAVG: 1621200 -7.09525 -26.5963 20.5563 -31.8769 -30.8637 -20.5166 23.0854 -20.409 -8.88538 TIMING: 1621200 CPU: 5162.29, 0.00317983/step Wall: 5162.29, 0.00317983/step, 2.98445 hours remaining, 241.984375 MB of memory in use. ENERGY: 1621200 4040.4057 20563.2620 14402.8614 240.4206 -202987.8956 2439.6821 0.0000 0.0000 52284.8761 -109016.3878 300.4819 -161301.2638 -108651.1831 300.2103 -18.4218 13.9245 762212.6413 -15.7500 -15.6148 PRESSURE: 1621400 217.076 -0.316209 60.2092 -0.315421 -61.4926 42.6819 60.2092 42.6813 -272.576 GPRESSURE: 1621400 234.312 -89.2726 10.4535 -14.4668 25.6091 79.5152 57.9201 46.2899 -296.877 PRESSAVG: 1621400 56.9043 12.2997 18.6968 12.2997 -25.684 7.5493 18.6968 7.54925 7.53452 GPRESSAVG: 1621400 56.4321 10.4524 19.649 16.7644 -24.1819 7.29667 17.4305 10.1229 7.00708 TIMING: 1621400 CPU: 5162.92, 0.00315568/step Wall: 5162.92, 0.00315568/step, 2.96161 hours remaining, 241.984375 MB of memory in use. ENERGY: 1621400 3937.8596 20449.8605 14529.8884 257.0417 -203249.5330 2789.7840 0.0000 0.0000 52175.3482 -109109.7506 299.8524 -161285.0988 -108744.2746 299.7626 -38.9974 -12.3186 763325.8075 12.9183 13.0858 PRESSURE: 1621600 94.6709 -41.0437 -143.725 -41.0435 -165.919 -105.263 -143.725 -105.264 86.3475 GPRESSURE: 1621600 51.091 -103.808 -86.3923 -33.9757 -8.13027 -213.292 -99.6286 -75.7964 71.8691 PRESSAVG: 1621600 16.3336 -11.4674 -10.3018 -11.4674 40.1532 35.3433 -10.3018 35.3434 -5.04407 GPRESSAVG: 1621600 15.6628 -10.2606 -10.2564 -13.5288 38.7112 34.9291 -8.54255 35.3264 -3.28345 TIMING: 1621600 CPU: 5163.55, 0.00316473/step Wall: 5163.55, 0.00316473/step, 2.96992 hours remaining, 241.984375 MB of memory in use. ENERGY: 1621600 3902.1336 20484.3506 14494.2991 244.6671 -202987.8676 2628.1513 0.0000 0.0000 52205.8899 -109028.3761 300.0280 -161234.2660 -108657.5098 299.9363 5.0333 38.2766 761603.0586 17.1476 17.0302 PRESSURE: 1621800 -85.7956 -225.235 39.9377 -225.235 -154.579 149.245 39.9377 149.245 -31.2242 GPRESSURE: 1621800 -78.6394 -148.44 129.159 -216.498 -85.7781 106.051 -8.82047 164.727 -9.51586 PRESSAVG: 1621800 40.2865 -6.71796 59.8218 -6.71798 -35.9259 80.0175 59.8218 80.0174 -18.044 GPRESSAVG: 1621800 39.9372 -6.72501 59.7476 -6.53097 -34.6569 79.7791 58.4246 80.3935 -18.7488 TIMING: 1621800 CPU: 5164.18, 0.00314021/step Wall: 5164.18, 0.00314021/step, 2.94673 hours remaining, 241.984375 MB of memory in use. ENERGY: 1621800 3991.7872 20721.5048 14533.4465 241.1863 -203109.4002 2488.5503 0.0000 0.0000 51988.6434 -109144.2816 298.7794 -161132.9250 -108783.4010 299.6155 -90.5329 -57.9778 761535.0912 -4.5611 -4.4895 PRESSURE: 1622000 150.614 -133.619 74.1164 -133.618 -64.7464 154.499 74.1163 154.498 -107.75 GPRESSURE: 1622000 233.829 -43.1398 103.529 -109.309 -57.7503 3.27583 68.6323 222.033 -137.289 PRESSAVG: 1622000 -20.4659 -46.0565 62.9647 -46.0566 24.8892 20.8805 62.9646 20.8805 -11.6633 GPRESSAVG: 1622000 -19.7072 -44.5385 63.4436 -48.3926 23.6246 20.2173 64.1463 22.1402 -11.162 TIMING: 1622000 CPU: 5164.8, 0.00312455/step Wall: 5164.8, 0.00312455/step, 2.93187 hours remaining, 241.984375 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: 1622000 3905.4055 20532.1225 14508.5686 256.2481 -203275.9271 2632.5124 0.0000 0.0000 52154.4433 -109286.6266 299.7323 -161441.0699 -108927.7203 299.5221 -7.2940 12.9301 762498.2896 -2.4134 -2.4149 PRESSURE: 1622200 148.281 18.8745 31.2633 18.874 -381.312 -100.906 31.2638 -100.905 -295.946 GPRESSURE: 1622200 67.1619 119.726 141.593 -36.3237 -325.12 -79.7011 -4.34224 64.0525 -202.843 PRESSAVG: 1622200 25.166 -12.0006 32.704 -12.0006 -13.1746 -18.9513 32.704 -18.9513 2.79003 GPRESSAVG: 1622200 24.4388 -12.7763 33.0732 -10.3818 -12.5171 -17.8666 33.4552 -18.3886 2.50004 TIMING: 1622200 CPU: 5165.43, 0.00314821/step Wall: 5165.43, 0.00314821/step, 2.9539 hours remaining, 241.984375 MB of memory in use. ENERGY: 1622200 3955.1449 20675.2950 14519.2848 259.3261 -203171.8028 2443.3770 0.0000 0.0000 52044.4885 -109274.8864 299.1004 -161319.3749 -108912.8124 299.8073 -176.3256 -153.6005 760976.4580 4.9271 4.8073 PRESSURE: 1622400 39.6227 3.79714 -84.3655 3.79815 542.204 -5.26273 -84.3645 -5.26133 71.7264 GPRESSURE: 1622400 120.199 55.8313 -106.286 174.745 507.379 -135.306 -60.1696 34.7871 131.323 PRESSAVG: 1622400 47.941 -63.8367 13.9652 -63.8367 -60.5497 1.97788 13.9652 1.97782 13.6392 GPRESSAVG: 1622400 48.3754 -64.6555 15.0798 -61.6092 -61.0733 1.61651 10.2542 0.253585 13.7045 TIMING: 1622400 CPU: 5166.07, 0.00316252/step Wall: 5166.07, 0.00316252/step, 2.96714 hours remaining, 241.984375 MB of memory in use. ENERGY: 1622400 4044.3756 20680.8076 14486.6979 260.9453 -203434.6812 2806.2400 0.0000 0.0000 51910.4077 -109245.2071 298.3298 -161155.6148 -108884.9444 299.4114 217.8512 252.9670 759014.8071 0.3435 0.3355 PRESSURE: 1622600 120.563 118.897 -169.069 118.897 -240.339 306.403 -169.069 306.403 29.4741 GPRESSURE: 1622600 60.5573 162.183 -99.2176 146.983 -85.4742 320.496 29.8074 412.173 27.6186 PRESSAVG: 1622600 -6.59602 31.5038 -3.95243 31.5038 -51.1333 32.0791 -3.95241 32.079 14.8393 GPRESSAVG: 1622600 -7.15111 32.5091 -5.32413 30.5392 -50.7336 33.1621 -0.839173 33.9327 14.7703 TIMING: 1622600 CPU: 5166.7, 0.00314516/step Wall: 5166.7, 0.00314516/step, 2.95069 hours remaining, 241.984375 MB of memory in use. ENERGY: 1622600 3932.0422 20704.2293 14444.7969 264.3304 -203340.5436 2571.0819 0.0000 0.0000 52024.4339 -109399.6289 298.9851 -161424.0629 -109046.1876 299.4592 -30.1006 0.9006 761202.6926 -14.2967 -14.3715 PRESSURE: 1622800 58.704 -93.8007 193.483 -93.8006 212.418 144.214 193.484 144.214 76.8119 GPRESSURE: 1622800 85.2286 -86.3501 250.354 -165.748 290.602 140.112 123.599 85.7258 59.9507 PRESSAVG: 1622800 6.06217 -39.9199 57.0409 -39.9199 47.4744 -1.94473 57.0409 -1.94474 -15.0875 GPRESSAVG: 1622800 7.02301 -41.1559 57.1204 -38.9752 47.2161 -3.15381 54.5444 -5.53233 -15.6618 TIMING: 1622800 CPU: 5167.33, 0.00315593/step Wall: 5167.33, 0.00315593/step, 2.96061 hours remaining, 241.984375 MB of memory in use. ENERGY: 1622800 4039.4193 20523.9270 14475.0035 242.3848 -203529.5000 2804.0685 0.0000 0.0000 52028.5852 -109416.1117 299.0090 -161444.6969 -109048.2543 299.5021 115.9779 145.2604 760072.2939 12.8164 12.8591 PRESSURE: 1623000 -148.852 -77.4204 -0.522664 -77.4206 -255.977 -175.48 -0.522182 -175.481 105.46 GPRESSURE: 1623000 -173.173 -90.9426 22.1822 -89.979 -170.723 -149.564 -66.5352 -168.163 147.38 PRESSAVG: 1623000 -33.5718 -36.207 7.42961 -36.2069 27.473 13.0877 7.42959 13.0877 -5.69857 GPRESSAVG: 1623000 -33.7933 -35.201 7.93725 -36.795 27.6394 13.1261 8.14979 15.3907 -4.89358 TIMING: 1623000 CPU: 5167.96, 0.00316722/step Wall: 5167.96, 0.00316722/step, 2.97102 hours remaining, 241.984375 MB of memory in use. ENERGY: 1623000 3979.4496 20535.5522 14474.7280 249.7539 -203258.7144 2464.8573 0.0000 0.0000 51977.8994 -109576.4740 298.7177 -161554.3734 -109204.2200 299.4160 -99.7898 -65.5055 760695.1307 -3.9325 -3.6825 PRESSURE: 1623200 -107.92 -135.978 -30.1819 -135.979 -228.512 121.413 -30.182 121.413 -193.677 GPRESSURE: 1623200 -37.2567 -95.8184 17.3612 -135.794 -130.877 133.536 46.3575 151.047 -272.033 PRESSAVG: 1623200 18.5926 2.13838 -11.2366 2.1384 -69.8263 -14.5333 -11.2365 -14.5333 1.64418 GPRESSAVG: 1623200 17.192 1.33048 -11.5243 2.77895 -69.4768 -12.7772 -9.09824 -14.9786 2.39525 TIMING: 1623200 CPU: 5168.59, 0.00316194/step Wall: 5168.59, 0.00316194/step, 2.9659 hours remaining, 241.984375 MB of memory in use. ENERGY: 1623200 3977.7182 20709.1947 14429.1948 226.8782 -203303.6412 2605.4396 0.0000 0.0000 51833.0642 -109522.1515 297.8853 -161355.2157 -109169.2320 299.1693 -176.7029 -146.7221 762129.3822 -16.5298 -16.6299 PRESSURE: 1623400 512.568 -87.8176 -156.347 -87.8174 240.814 284.652 -156.347 284.652 -133.512 GPRESSURE: 1623400 453.453 -155.228 -145.384 -126.857 321.192 214.43 -107.865 336.184 -62.072 PRESSAVG: 1623400 -24.4263 -76.1567 -17.0578 -76.1568 -17.4884 44.2735 -17.0578 44.2735 7.21054 GPRESSAVG: 1623400 -23.2501 -75.6022 -17.5961 -77.4847 -17.4738 44.0251 -19.3832 43.4562 6.2991 TIMING: 1623400 CPU: 5169.23, 0.00316184/step Wall: 5169.23, 0.00316184/step, 2.96563 hours remaining, 241.984375 MB of memory in use. ENERGY: 1623400 3939.1150 20523.8246 14475.5407 250.5366 -203624.4463 2967.1490 0.0000 0.0000 51968.1365 -109500.1440 298.6616 -161468.2805 -109139.6084 299.2239 206.6233 237.5242 760689.7879 -11.5681 -11.4749 PRESSURE: 1623600 -154.915 124.991 -107.286 124.992 344.427 -295.817 -107.287 -295.816 152.077 GPRESSURE: 1623600 -90.5833 30.5622 -104.773 31.1538 370.697 -305.073 -109.512 -99.355 139.241 PRESSAVG: 1623600 19.6257 -42.548 -10.3907 -42.548 -2.2385 28.5421 -10.3907 28.5421 -11.6559 GPRESSAVG: 1623600 19.9026 -43.2186 -9.45296 -40.9976 -3.72155 29.0633 -10.6042 29.3015 -11.0586 TIMING: 1623600 CPU: 5169.86, 0.00317047/step Wall: 5169.86, 0.00317047/step, 2.97355 hours remaining, 241.984375 MB of memory in use. ENERGY: 1623600 4014.5111 20519.6729 14522.1954 236.3247 -203317.8167 2744.0769 0.0000 0.0000 51859.3885 -109421.6470 298.0366 -161281.0355 -109057.8367 299.7307 113.8631 139.7846 761623.5384 1.9104 1.7075 PRESSURE: 1623800 310.117 118.528 67.7941 118.527 -138.447 -184.013 67.7945 -184.014 364.308 GPRESSURE: 1623800 398.413 123.974 132.617 132.895 -174.534 -249.919 100.921 -172.459 406.234 PRESSAVG: 1623800 8.1049 -27.5817 -4.5009 -27.5816 1.95823 -20.1448 -4.5009 -20.1449 6.61937 GPRESSAVG: 1623800 8.86049 -29.3038 -5.62056 -28.5146 0.958063 -21.489 -3.28287 -19.8618 7.17511 TIMING: 1623800 CPU: 5170.49, 0.00315779/step Wall: 5170.49, 0.00315779/step, 2.96148 hours remaining, 241.984375 MB of memory in use. ENERGY: 1623800 3964.2808 20479.1742 14517.9903 259.6636 -203152.1603 2561.2866 0.0000 0.0000 51894.0845 -109475.6803 298.2360 -161369.7648 -109117.8840 299.6107 178.6594 210.0379 760780.3294 5.5608 5.6646 PRESSURE: 1624000 -80.1477 -132.713 86.0028 -132.713 -113.864 -0.841507 86.0036 -0.842533 176.18 GPRESSURE: 1624000 -156.819 -89.4928 80.5669 -97.5312 -3.77292 38.6867 139.017 82.3521 214.868 PRESSAVG: 1624000 -17.6717 -45.3802 -13.4974 -45.3803 64.1958 -15.6264 -13.4974 -15.6264 -8.11497 GPRESSAVG: 1624000 -18.127 -42.5014 -13.225 -46.2053 65.4052 -15.7809 -11.4667 -14.9066 -9.03929 TIMING: 1624000 CPU: 5171.12, 0.00316414/step Wall: 5171.12, 0.00316414/step, 2.96726 hours remaining, 241.984375 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: 1624000 4027.7166 20615.0547 14462.9417 259.0663 -203368.0346 2775.5308 0.0000 0.0000 52087.3766 -109140.3479 299.3469 -161227.7245 -108779.7294 299.2682 -5.9441 18.0920 761961.1125 12.8030 12.7463 PRESSURE: 1624200 -106.99 136.23 92.8528 136.229 259.417 -153.423 92.8537 -153.424 -175.614 GPRESSURE: 1624200 -42.9717 122.902 117.531 78.7997 213.552 -197.11 -47.5539 -231.512 -108.862 PRESSAVG: 1624200 65.5988 -56.2512 2.06201 -56.2513 -70.6193 -20.8721 2.06204 -20.8721 -7.66135 GPRESSAVG: 1624200 66.797 -57.4833 2.36635 -54.4998 -71.84 -20.4489 -1.0658 -20.6378 -7.81458 TIMING: 1624200 CPU: 5171.75, 0.00314881/step Wall: 5171.75, 0.00314881/step, 2.95271 hours remaining, 241.984375 MB of memory in use. ENERGY: 1624200 3932.8138 20474.3656 14505.7027 246.8453 -203260.9531 2584.4787 0.0000 0.0000 52038.5529 -109478.1942 299.0663 -161516.7471 -109108.1579 299.4696 -7.7290 20.5726 760826.0831 -4.2273 -4.2859 LDB: ============= START OF LOAD BALANCING ============== 5184.21 LDB: ============== END OF LOAD BALANCING =============== 5184.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5184.21 LDB: ============= START OF LOAD BALANCING ============== 5184.52 LDB: Largest compute 7078 load 0.036625 is 18.8% of average load 0.195094 LDB: Average compute 0.004424 is 2.3% of average load 0.195094 LDB: TIME 5184.53 LOAD: AVG 0.195094 MAX 0.212974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.727 MB LDB: TIME 5184.53 LOAD: AVG 0.195094 MAX 0.212974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: TIME 5184.53 LOAD: AVG 0.195094 MAX 0.212974 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.82 MB LDB: ============== END OF LOAD BALANCING =============== 5184.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5184.53 PRESSURE: 1624400 203.604 -114.375 -19.7618 -114.375 -40.7841 5.61113 -19.7619 5.61134 -174.524 GPRESSURE: 1624400 169.42 -16.5341 0.465531 -144.988 37.1767 16.3616 -23.6109 14.6363 -139.484 PRESSAVG: 1624400 6.26958 -68.1213 47.4178 -68.1213 8.59354 -12.0244 47.4178 -12.0243 10.134 GPRESSAVG: 1624400 5.39008 -65.8298 47.6068 -68.0942 9.68349 -11.6838 47.8498 -13.2103 9.75208 TIMING: 1624400 CPU: 5172.4, 0.00322487/step Wall: 5172.4, 0.00322487/step, 3.02385 hours remaining, 239.273438 MB of memory in use. ENERGY: 1624400 4044.0283 20545.0408 14561.3487 228.8044 -203478.4195 2482.4436 0.0000 0.0000 52137.8837 -109478.8701 299.6371 -161616.7538 -109109.1131 299.4430 -3.9012 22.3706 760348.0995 8.3324 8.2752 PRESSURE: 1624600 143.341 19.5535 -244.679 19.553 185.307 85.7948 -244.679 85.7949 303.281 GPRESSURE: 1624600 158.124 42.5657 -254.674 18.3066 250.99 217.445 -256.488 4.14869 302.039 PRESSAVG: 1624600 -53.831 -38.4302 7.58553 -38.4302 1.34616 51.017 7.58554 51.017 -15.6194 GPRESSAVG: 1624600 -53.7782 -40.7054 7.94581 -37.116 1.54421 52.0451 8.28379 50.8646 -16.5256 TIMING: 1624600 CPU: 5173.04, 0.00318664/step Wall: 5173.04, 0.00318664/step, 2.98783 hours remaining, 239.273438 MB of memory in use. ENERGY: 1624600 3799.3871 20528.7600 14558.8750 250.9222 -203808.7699 2880.6467 0.0000 0.0000 52092.4188 -109697.7600 299.3758 -161790.1788 -109336.4481 299.1773 210.6432 237.0513 761130.0806 -22.7014 -22.9199 PRESSURE: 1624800 -377.759 -190.477 130.799 -190.477 87.3918 24.9623 130.799 24.9638 -563.298 GPRESSURE: 1624800 -340.999 -157.359 84.4424 -157.939 38.0541 10.9426 44.2826 123.515 -447.243 PRESSAVG: 1624800 3.43833 -46.852 -31.3842 -46.852 27.178 -23.9812 -31.3841 -23.9812 -12.9299 GPRESSAVG: 1624800 3.11187 -44.7164 -33.4101 -49.3527 26.2023 -25.5674 -31.5792 -20.1706 -11.4507 TIMING: 1624800 CPU: 5173.67, 0.00318671/step Wall: 5173.67, 0.00318671/step, 2.98772 hours remaining, 239.273438 MB of memory in use. ENERGY: 1624800 3987.3707 20574.6420 14441.0416 257.8957 -203456.9098 2299.6860 0.0000 0.0000 52044.9244 -109851.3494 299.1029 -161896.2737 -109482.0696 298.5907 -284.5550 -250.0626 760214.5690 5.8955 5.9545 PRESSURE: 1625000 -362.248 -104.376 5.49471 -104.376 -343.13 69.1903 5.49494 69.1916 114.728 GPRESSURE: 1625000 -299.853 6.53114 -51.2276 -74.8564 -283.767 -4.713 75.3626 -23.2854 72.3428 PRESSAVG: 1625000 -38.9116 -42.3054 36.1106 -42.3054 55.7725 19.9042 36.1106 19.9042 15.3086 GPRESSAVG: 1625000 -39.3872 -43.9866 37.1923 -39.2923 56.2545 19.7505 36.2496 17.1655 15.6893 TIMING: 1625000 CPU: 5174.31, 0.00316154/step Wall: 5174.31, 0.00316154/step, 2.96395 hours remaining, 239.273438 MB of memory in use. ENERGY: 1625000 3923.5911 20717.1077 14494.2919 265.3231 -203517.4541 2383.7094 0.0000 0.0000 51940.3603 -109793.0704 298.5020 -161733.4307 -109421.5744 298.4589 -196.8837 -170.4259 760907.0440 10.7232 10.8522 PRESSURE: 1625200 62.7913 -115.355 -170.263 -115.355 109.742 128.434 -170.263 128.432 -94.9114 GPRESSURE: 1625200 7.57575 -139.973 -157.677 -75.6592 166.422 130.499 -114.155 169.611 -19.2755 PRESSAVG: 1625200 -48.1028 -14.2735 -36.0149 -14.2735 37.5361 -16.0585 -36.0149 -16.0585 -30.6241 GPRESSAVG: 1625200 -48.4948 -14.0987 -35.9203 -16.8704 37.2934 -14.2427 -34.4998 -16.5941 -30.2548 TIMING: 1625200 CPU: 5174.93, 0.00312759/step Wall: 5174.93, 0.00312759/step, 2.93195 hours remaining, 239.273438 MB of memory in use. ENERGY: 1625200 4004.4353 20547.8526 14494.2016 240.2203 -203927.0773 2774.6629 0.0000 0.0000 52087.1869 -109778.5177 299.3458 -161865.7047 -109416.8375 298.8316 25.8739 51.5742 760175.0871 -13.7303 -13.8187 PRESSURE: 1625400 222.322 -133.74 -27.9299 -133.741 -28.8547 -71.9793 -27.9301 -71.9805 243.827 GPRESSURE: 1625400 275.233 -184.244 -14.5656 -197.858 1.50972 -54.4773 -66.0273 62.0335 269.669 PRESSAVG: 1625400 -46.7181 -56.4661 -9.33741 -56.4662 13.5933 0.537729 -9.33737 0.537743 6.83932 GPRESSAVG: 1625400 -46.4088 -56.554 -8.31589 -56.3139 14.3264 -0.117331 -11.1835 -0.0236135 5.38598 TIMING: 1625400 CPU: 5175.56, 0.00314103/step Wall: 5175.56, 0.00314103/step, 2.94437 hours remaining, 239.273438 MB of memory in use. ENERGY: 1625400 3967.3933 20496.6346 14455.6552 252.8062 -204083.6283 3009.8777 0.0000 0.0000 52352.9388 -109548.3225 300.8731 -161901.2613 -109187.2025 299.0687 145.7648 182.1374 760093.4798 -8.7618 -8.8988 PRESSURE: 1625600 224.845 133.059 230.575 133.059 316.221 -32.3005 230.576 -32.3004 225.823 GPRESSURE: 1625600 229.752 154.664 251.103 179.944 392.488 -50.0301 20.2317 -129.532 222.269 PRESSAVG: 1625600 35.6342 -9.4998 25.5556 -9.49981 -30.4068 34.1936 25.5555 34.1936 -21.6111 GPRESSAVG: 1625600 34.3891 -8.36979 25.2712 -10.9001 -29.6798 33.0235 23.9443 34.5325 -20.5137 TIMING: 1625600 CPU: 5176.19, 0.00316226/step Wall: 5176.19, 0.00316226/step, 2.96409 hours remaining, 239.273438 MB of memory in use. ENERGY: 1625600 3943.0860 20748.3921 14474.4494 251.1576 -203751.1669 2508.0486 0.0000 0.0000 52322.5365 -109503.4967 300.6983 -161826.0332 -109132.7054 299.4931 255.6297 281.5030 761111.8212 -5.4612 -5.2681 PRESSURE: 1625800 -239.52 -112.648 -128.551 -112.647 0.603964 142.978 -128.552 142.978 293.98 GPRESSURE: 1625800 -215.229 -54.6802 -91.1786 -104.813 3.11668 206.389 -120.869 14.6869 344.902 PRESSAVG: 1625800 -62.3075 -20.0074 31.4023 -20.0074 59.4378 -5.88324 31.4023 -5.88328 9.17657 GPRESSAVG: 1625800 -60.8886 -21.329 30.4728 -21.0102 58.7487 -4.98001 33.0129 -8.03398 8.52566 TIMING: 1625800 CPU: 5176.82, 0.00314836/step Wall: 5176.82, 0.00314836/step, 2.95089 hours remaining, 239.273438 MB of memory in use. ENERGY: 1625800 4011.9252 20605.2395 14573.5390 254.5617 -203406.4605 2485.7525 0.0000 0.0000 52050.9549 -109424.4877 299.1376 -161475.4426 -109050.7947 299.5884 18.3545 44.2631 760922.3708 2.1023 2.1286 PRESSURE: 1626000 -297.866 53.8732 206.629 53.8749 311.755 199.929 206.629 199.93 -594.683 GPRESSURE: 1626000 -259.945 53.3171 157.839 71.7075 314.609 146.046 200.316 196.383 -566.833 PRESSAVG: 1626000 -9.97175 -24.1423 -38.5397 -24.1424 12.1541 38.5823 -38.5398 38.5823 -19.1194 GPRESSAVG: 1626000 -10.3996 -23.5198 -38.5865 -21.9257 12.9116 37.6777 -39.3749 40.3919 -18.8223 TIMING: 1626000 CPU: 5177.45, 0.00315268/step Wall: 5177.45, 0.00315268/step, 2.95476 hours remaining, 239.273438 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: 1626000 3964.7952 20837.5789 14502.3424 251.0513 -203077.1044 2204.1599 0.0000 0.0000 51905.2684 -109411.9083 298.3003 -161317.1768 -109050.3195 299.7688 -193.5978 -170.7231 758594.1298 -5.6457 -5.4368 PRESSURE: 1626200 179.243 47.9922 203.615 47.9914 -73.8584 42.9955 203.615 42.9956 -93.4104 GPRESSURE: 1626200 218.035 114.19 79.4347 -3.57111 -33.8998 29.1055 141.929 114.908 -89.0513 PRESSAVG: 1626200 31.4393 -28.5955 -41.0865 -28.5956 3.65789 50.9089 -41.0864 50.9089 2.3202 GPRESSAVG: 1626200 33.1492 -27.8215 -40.6146 -31.7462 3.23068 51.0933 -38.9023 52.2403 1.7803 TIMING: 1626200 CPU: 5178.09, 0.00317777/step Wall: 5178.09, 0.00317777/step, 2.9781 hours remaining, 239.273438 MB of memory in use. ENERGY: 1626200 3936.5901 20770.4043 14468.5739 250.0608 -203511.0876 2580.0921 0.0000 0.0000 52249.7240 -109255.6423 300.2799 -161505.3664 -108893.7144 299.8207 3.9916 31.6947 760259.2670 12.4725 12.7201 PRESSURE: 1626400 19.1427 -15.9545 -170.811 -15.9539 -125.612 122.41 -170.811 122.409 -210.676 GPRESSURE: 1626400 -19.6504 87.8322 -140.566 -36.0562 -35.6815 51.358 -189.888 100.982 -153.36 PRESSAVG: 1626400 36.4663 -54.3591 -38.4257 -54.3591 -54.8482 5.1672 -38.4257 5.1672 16.5762 GPRESSAVG: 1626400 35.2629 -55.3299 -39.4589 -51.5359 -55.1306 5.01003 -39.7398 4.87178 17.874 TIMING: 1626400 CPU: 5178.72, 0.00316397/step Wall: 5178.72, 0.00316397/step, 2.96499 hours remaining, 239.273438 MB of memory in use. ENERGY: 1626400 4058.6054 20588.0345 14552.3111 254.4489 -203417.5451 2658.3423 0.0000 0.0000 52119.0975 -109186.7054 299.5292 -161305.8030 -108831.5465 299.8806 -105.7151 -69.5638 762068.7960 -0.6019 -0.6646 PRESSURE: 1626600 16.2364 -77.5852 -285.398 -77.5857 62.6722 25.1981 -285.398 25.1976 237.971 GPRESSURE: 1626600 82.9181 -82.7415 -280.548 -43.1303 32.1064 69.7229 -281.448 -83.6867 277.129 PRESSAVG: 1626600 -9.69051 -28.4781 -30.6613 -28.4782 17.3524 28.8161 -30.6612 28.8161 3.07455 GPRESSAVG: 1626600 -10.5379 -27.2739 -31.7139 -26.8834 17.3953 31.6615 -29.0342 25.2733 3.39229 TIMING: 1626600 CPU: 5179.35, 0.00316973/step Wall: 5179.35, 0.00316973/step, 2.97022 hours remaining, 239.273438 MB of memory in use. ENERGY: 1626600 3993.1036 20700.6906 14438.9319 247.3473 -203840.4514 2983.8749 0.0000 0.0000 52180.9495 -109295.5535 299.8846 -161476.5030 -108941.0282 299.4375 105.6265 130.7177 761380.3123 3.5788 3.4166 PRESSURE: 1626800 -144.527 -61.2189 -238.794 -61.219 -121.229 39.3852 -238.793 39.3853 227.297 GPRESSURE: 1626800 -79.2804 -72.368 -271.174 4.64692 -25.0703 -23.1934 -162.982 104.152 160.185 PRESSAVG: 1626800 -19.6064 -18.2118 -22.9612 -18.2118 14.0186 17.4416 -22.9612 17.4416 -5.92626 GPRESSAVG: 1626800 -18.8105 -19.1948 -21.5286 -20.3601 13.8006 15.198 -23.2891 20.8067 -5.96802 TIMING: 1626800 CPU: 5179.98, 0.003138/step Wall: 5179.98, 0.003138/step, 2.94031 hours remaining, 239.273438 MB of memory in use. ENERGY: 1626800 4075.0942 20481.6353 14537.7883 255.4679 -203505.4524 2781.7896 0.0000 0.0000 52035.2958 -109338.3814 299.0476 -161373.6772 -108989.7088 299.8456 -12.8197 18.6115 762583.0965 -3.8380 -3.6593 PRESSURE: 1627000 276.941 -8.943 -77.2922 -8.94272 233.57 87.6033 -77.293 87.604 196.031 GPRESSURE: 1627000 376.566 18.454 -121.11 49.0255 156.005 59.7356 -110.313 88.7154 261.911 PRESSAVG: 1627000 -60.2853 -12.978 25.1975 -12.9781 35.3116 28.0169 25.1975 28.0168 3.78952 GPRESSAVG: 1627000 -60.2933 -13.0548 26.3188 -12.5687 36.5635 27.7023 24.9761 29.6315 2.32718 TIMING: 1627000 CPU: 5180.62, 0.00316537/step Wall: 5180.62, 0.00316537/step, 2.96577 hours remaining, 239.273438 MB of memory in use. ENERGY: 1627000 3910.9392 20656.0687 14457.4118 260.2426 -203789.0579 3055.1146 0.0000 0.0000 52173.9267 -109275.3543 299.8443 -161449.2811 -108914.0047 299.6480 235.5141 264.8274 762722.7775 -7.0614 -7.1342 PRESSURE: 1627200 113.508 95.7739 -52.4527 95.7753 354.167 -46.0903 -52.4525 -46.0893 158.219 GPRESSURE: 1627200 105.79 106.638 -142.446 163.097 399.64 -7.39196 -89.4145 -80.1306 195.567 PRESSAVG: 1627200 2.43118 -19.1605 -17.6432 -19.1606 -10.5411 21.0084 -17.6432 21.0083 12.3592 GPRESSAVG: 1627200 2.93827 -20.9161 -18.9296 -18.5495 -11.6099 19.8128 -18.5959 20.9661 13.3839 TIMING: 1627200 CPU: 5181.25, 0.0031835/step Wall: 5181.25, 0.0031835/step, 2.98259 hours remaining, 239.273438 MB of memory in use. ENERGY: 1627200 4007.3981 20686.3277 14489.0868 256.2866 -203431.5306 2803.1716 0.0000 0.0000 52191.7390 -108997.5208 299.9466 -161189.2598 -108635.3474 300.0352 208.6313 233.6658 762149.6405 1.4164 1.5707 PRESSURE: 1627400 -309.22 -89.2694 -95.0338 -89.2687 -111.064 -226.03 -95.0334 -226.03 470.605 GPRESSURE: 1627400 -281.7 -71.7924 -91.4595 -75.2341 17.5344 -191.516 -22.3004 -240.696 400.181 PRESSAVG: 1627400 -50.2963 -31.6228 -45.7554 -31.6228 45.0985 8.36292 -45.7554 8.36291 12.6312 GPRESSAVG: 1627400 -51.4136 -31.3919 -45.325 -31.8343 47.3185 10.2885 -45.4745 5.18939 11.0726 TIMING: 1627400 CPU: 5181.89, 0.00317337/step Wall: 5181.89, 0.00317337/step, 2.97292 hours remaining, 239.273438 MB of memory in use. ENERGY: 1627400 3949.2932 20575.2304 14545.9264 247.0174 -203103.8264 2471.1273 0.0000 0.0000 52380.2996 -108934.9320 301.0303 -161315.2317 -108572.3845 300.6864 16.7738 45.3384 763203.2742 2.4778 2.3258 PRESSURE: 1627600 18.9842 1.31463 -164.498 1.3149 42.5327 158.134 -164.499 158.134 -35.6514 GPRESSURE: 1627600 22.659 -44.5905 -116.999 -10.3804 66.299 102.697 -171.975 112.829 19.7044 PRESSAVG: 1627600 -80.4288 5.2576 35.1931 5.2577 62.2949 29.1692 35.1931 29.1691 -11.911 GPRESSAVG: 1627600 -80.3932 4.65497 34.6758 5.79422 61.0048 29.3944 36.0611 30.8119 -10.6942 TIMING: 1627600 CPU: 5182.52, 0.0031718/step Wall: 5182.52, 0.0031718/step, 2.97128 hours remaining, 239.273438 MB of memory in use. ENERGY: 1627600 4023.8759 20681.4290 14536.4067 244.9110 -202966.8399 2420.8436 0.0000 0.0000 52217.6913 -108841.6823 300.0958 -161059.3736 -108476.7293 300.6316 8.6218 36.2208 761133.7333 -10.0150 -10.0275 PRESSURE: 1627800 199.521 88.2526 -33.7132 88.2522 23.5387 169.97 -33.7126 169.971 39.9097 GPRESSURE: 1627800 218.247 165.588 -64.1223 0.130979 98.7035 59.7334 14.1149 36.1855 19.3976 PRESSAVG: 1627800 18.5241 43.2643 -13.0352 43.2642 -6.10974 37.9946 -13.0352 37.9947 9.2329 GPRESSAVG: 1627800 19.075 44.5962 -12.6638 40.8008 -6.46802 37.0202 -15.4649 37.4817 9.10141 TIMING: 1627800 CPU: 5183.16, 0.00318413/step Wall: 5183.16, 0.00318413/step, 2.98264 hours remaining, 239.273438 MB of memory in use. ENERGY: 1627800 4067.0583 20641.8363 14557.4033 239.0033 -203691.0904 2869.2170 0.0000 0.0000 52447.5041 -108869.0681 301.4165 -161316.5722 -108498.1633 300.8421 87.6564 112.1160 760560.5769 7.2158 7.2361 PRESSURE: 1628000 -79.7371 185.352 -167.508 185.351 -125.572 -227.665 -167.509 -227.666 -158.907 GPRESSURE: 1628000 55.9508 222.32 -162.755 152.181 -107.428 -129 -157.226 -237.467 -248.283 PRESSAVG: 1628000 -2.86801 -3.55144 -53.6763 -3.55145 24.7294 2.57771 -53.6762 2.5777 13.2468 GPRESSAVG: 1628000 -3.08983 -3.47882 -55.2752 -2.02306 24.5403 2.37373 -51.1695 4.20501 12.9197 TIMING: 1628000 CPU: 5183.79, 0.00317083/step Wall: 5183.79, 0.00317083/step, 2.97001 hours remaining, 239.273438 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: 1628000 3959.2400 20663.9308 14565.5513 238.6501 -202995.5158 2477.5640 0.0000 0.0000 52171.3052 -108919.2744 299.8292 -161090.5796 -108550.3473 300.7576 -121.4053 -99.9200 761347.9048 11.7027 11.4567 PRESSURE: 1628200 -162.553 54.0997 -104.909 54.0999 261.216 19.0966 -104.91 19.0974 103.612 GPRESSURE: 1628200 -80.0104 106.606 -124.919 12.7146 293.563 -51.8561 -129.099 159.676 84.2289 PRESSAVG: 1628200 22.5188 -25.6329 -21.6256 -25.6328 -33.0682 41.167 -21.6256 41.167 17.6593 GPRESSAVG: 1628200 23.0893 -26.3644 -19.022 -25.2415 -33.4349 41.6391 -25.0071 42.3778 17.6174 TIMING: 1628200 CPU: 5184.42, 0.00314391/step Wall: 5184.42, 0.00314391/step, 2.94462 hours remaining, 239.273438 MB of memory in use. ENERGY: 1628200 3893.1645 20839.7648 14523.7896 243.7131 -203222.1665 2770.3643 0.0000 0.0000 52155.2434 -108796.1268 299.7369 -160951.3702 -108435.1005 300.6636 67.4251 99.2605 762219.8799 2.3700 2.4240 LDB: ============= START OF LOAD BALANCING ============== 5196.87 LDB: ============== END OF LOAD BALANCING =============== 5196.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5196.87 LDB: ============= START OF LOAD BALANCING ============== 5197.19 LDB: Largest compute 7032 load 0.036578 is 18.7% of average load 0.195108 LDB: Average compute 0.004421 is 2.3% of average load 0.195108 LDB: TIME 5197.19 LOAD: AVG 0.195108 MAX 0.213046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.727 MB LDB: TIME 5197.19 LOAD: AVG 0.195108 MAX 0.213046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: TIME 5197.19 LOAD: AVG 0.195108 MAX 0.213046 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: ============== END OF LOAD BALANCING =============== 5197.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5197.2 PRESSURE: 1628400 -315.47 119.385 3.62361 119.385 -216.132 162.394 3.62272 162.395 21.1957 GPRESSURE: 1628400 -171.936 110.034 -30.0157 78.6906 -261.736 222.699 -89.6932 121.314 -1.45349 PRESSAVG: 1628400 -10.7337 4.79132 -33.9193 4.79129 -53.5441 -5.23267 -33.9193 -5.2327 -8.26637 GPRESSAVG: 1628400 -11.0803 5.22185 -33.9079 5.89763 -53.2741 -2.65955 -32.742 -8.19208 -9.09913 TIMING: 1628400 CPU: 5185.06, 0.00321342/step Wall: 5185.06, 0.00321342/step, 3.00955 hours remaining, 239.984375 MB of memory in use. ENERGY: 1628400 3977.4488 20581.8071 14534.4683 261.6799 -202532.9012 2213.0533 0.0000 0.0000 52131.7054 -108832.7383 299.6016 -160964.4438 -108477.0537 300.0060 -170.1353 -145.0417 762688.5491 -24.1814 -24.4845 PRESSURE: 1628600 -331.751 59.4259 206.416 59.4266 17.7365 126.493 206.416 126.492 -735.482 GPRESSURE: 1628600 -316.407 69.4369 147.202 55.4517 98.8247 181.313 271.528 9.6549 -742.29 PRESSAVG: 1628600 46.8798 -39.7277 18.6068 -39.7276 -46.7541 -7.96915 18.6068 -7.96917 2.72443 GPRESSAVG: 1628600 45.7825 -40.7249 17.1963 -40.6346 -46.2795 -9.39004 20.1218 -6.5649 3.43627 TIMING: 1628600 CPU: 5185.69, 0.00315536/step Wall: 5185.69, 0.00315536/step, 2.955 hours remaining, 240.187500 MB of memory in use. ENERGY: 1628600 3988.2951 20473.7619 14485.2181 245.8746 -203059.8652 2471.9665 0.0000 0.0000 52238.5175 -109156.2315 300.2155 -161394.7490 -108790.8253 299.7285 -349.8324 -319.9572 762328.3291 0.9500 0.9798 PRESSURE: 1628800 -98.7702 -18.9394 125.615 -18.9405 -84.5834 47.688 125.616 47.6877 -7.21264 GPRESSURE: 1628800 -80.2635 18.4784 -12.0969 24.8706 6.58451 -0.620219 89.3211 71.1463 -16.5767 PRESSAVG: 1628800 -15.2002 -61.3441 -1.11378 -61.344 -6.80607 69.5084 -1.11383 69.5084 0.452096 GPRESSAVG: 1628800 -14.2054 -60.0215 -1.21643 -59.7591 -7.35145 68.7777 -1.50506 67.2183 0.0935444 TIMING: 1628800 CPU: 5186.32, 0.00314966/step Wall: 5186.32, 0.00314966/step, 2.94948 hours remaining, 240.187500 MB of memory in use. ENERGY: 1628800 4019.7363 20452.9219 14520.2143 233.4722 -202875.9462 2482.4953 0.0000 0.0000 52112.1020 -109055.0043 299.4890 -161167.1062 -108687.6973 299.8357 -63.5221 -30.0852 761780.8093 -7.1847 -7.1544 PRESSURE: 1629000 -238.002 113.719 6.94616 113.719 -166.958 40.3623 6.94597 40.3622 182.911 GPRESSURE: 1629000 -216.334 43.2455 16.6398 56.3345 -91.1417 47.4672 -72.3142 28.8011 160.192 PRESSAVG: 1629000 21.017 -54.1694 -21.5483 -54.1694 24.3281 3.73832 -21.5483 3.73825 18.9663 GPRESSAVG: 1629000 20.5457 -55.4485 -19.8048 -53.3626 25.8077 4.32044 -23.9785 4.14845 18.1666 TIMING: 1629000 CPU: 5186.95, 0.0031531/step Wall: 5186.95, 0.0031531/step, 2.95253 hours remaining, 240.187500 MB of memory in use. ENERGY: 1629000 3967.1682 20539.7925 14477.6950 224.9177 -203047.3282 2602.4881 0.0000 0.0000 52114.2153 -109121.0514 299.5011 -161235.2668 -108755.6674 299.5915 -74.0162 -49.0945 762684.8507 21.4371 21.5067 PRESSURE: 1629200 -136.94 -85.2234 -112.069 -85.2231 -21.9897 166.842 -112.07 166.842 -164.405 GPRESSURE: 1629200 -148.961 -3.29788 -56.4297 -136.262 20.207 95.5511 -15.94 98.8712 -114.847 PRESSAVG: 1629200 35.5799 -11.3009 -27.397 -11.3008 -38.6542 -5.72634 -27.397 -5.72647 2.28819 GPRESSAVG: 1629200 36.0406 -11.1049 -28.1782 -12.9699 -40.8589 -7.41275 -23.3627 -3.41909 3.39786 TIMING: 1629200 CPU: 5187.58, 0.00313957/step Wall: 5187.58, 0.00313957/step, 2.93968 hours remaining, 240.187500 MB of memory in use. ENERGY: 1629200 4041.5663 20516.2895 14495.9849 260.0548 -203060.1394 2521.3987 0.0000 0.0000 52098.0184 -109126.8268 299.4080 -161224.8452 -108766.4547 299.4329 -107.7785 -81.2004 761840.6906 -0.2620 -0.4735 PRESSURE: 1629400 149.42 -83.5288 -114.631 -83.5281 -202.769 38.7508 -114.63 38.7512 259.873 GPRESSURE: 1629400 131.148 -151.094 -144.961 44.6773 -145.889 44.4708 -90.6024 -3.26486 320.726 PRESSAVG: 1629400 30.6242 -31.8197 -33.8044 -31.8197 -27.855 61.1784 -33.8044 61.1784 5.47571 GPRESSAVG: 1629400 30.0522 -30.0328 -34.6996 -33.604 -25.7656 61.2482 -33.5046 59.6535 4.16918 TIMING: 1629400 CPU: 5188.21, 0.00315191/step Wall: 5188.21, 0.00315191/step, 2.95106 hours remaining, 240.187500 MB of memory in use. ENERGY: 1629400 3895.4772 20573.2603 14581.4675 245.4274 -203069.8045 2401.1005 0.0000 0.0000 52187.2412 -109185.8304 299.9208 -161373.0716 -108819.8087 299.5266 68.8412 101.9949 761015.9963 2.7483 2.8186 PRESSURE: 1629600 -13.0621 61.5343 -86.1809 61.5326 -239.385 -98.0392 -86.1806 -98.0389 -40.2657 GPRESSURE: 1629600 -5.33789 -20.1039 -115.64 94.6859 -130.537 -148.833 1.02722 -101.699 -65.278 PRESSAVG: 1629600 33.8977 -40.4801 4.75034 -40.4801 -23.0068 13.9063 4.75035 13.9062 21.475 GPRESSAVG: 1629600 35.3646 -41.1138 4.46698 -39.5381 -24.3484 14.5892 4.08526 15.9455 20.93 TIMING: 1629600 CPU: 5188.84, 0.00315149/step Wall: 5188.84, 0.00315149/step, 2.9505 hours remaining, 240.187500 MB of memory in use. ENERGY: 1629600 3990.9961 20426.3418 14561.0552 260.9040 -202903.1083 2347.8079 0.0000 0.0000 52182.5310 -109133.4722 299.8937 -161316.0032 -108757.4503 299.5413 -97.5708 -67.0509 760048.7448 10.7886 10.6487 PRESSURE: 1629800 -122.554 171.989 195.076 171.988 -55.5279 511.77 195.076 511.769 -279.647 GPRESSURE: 1629800 -112.504 150.354 159.637 251.454 -18.0346 434.512 216.112 501.665 -247.617 PRESSAVG: 1629800 84.6662 -28.9069 30.3859 -28.9069 -25.3859 56.8347 30.386 56.8347 -17.1458 GPRESSAVG: 1629800 83.6663 -29.1042 31.9168 -27.8454 -26.2057 56.3444 28.4903 58.5442 -15.4303 TIMING: 1629800 CPU: 5189.47, 0.00314807/step Wall: 5189.47, 0.00314807/step, 2.94712 hours remaining, 240.187500 MB of memory in use. ENERGY: 1629800 4040.3297 20540.2491 14529.0115 235.9296 -202997.4213 2330.6407 0.0000 0.0000 52107.4439 -109213.8167 299.4622 -161321.2606 -108845.6883 299.8506 -152.5763 -126.0518 760050.3920 14.0448 14.0101 PRESSURE: 1630000 -263.276 23.8768 -141.697 23.8774 -94.4249 -309.587 -141.697 -309.587 -246.489 GPRESSURE: 1630000 -221.272 15.4697 -153.597 -111.694 0.0852591 -270.617 -54.8164 -415.622 -302.592 PRESSAVG: 1630000 -6.14367 -48.1965 2.33496 -48.1964 6.66928 6.75331 2.33501 6.75329 -11.8733 GPRESSAVG: 1630000 -7.17958 -48.4941 0.290425 -47.8376 8.51337 8.49145 3.78811 3.29432 -12.3676 TIMING: 1630000 CPU: 5190.1, 0.00314151/step Wall: 5190.1, 0.00314151/step, 2.9408 hours remaining, 240.187500 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: 1630000 3922.9139 20368.5298 14468.9436 264.6076 -202951.5836 2256.7298 0.0000 0.0000 52149.9137 -109519.9452 299.7063 -161669.8589 -109145.1450 299.0019 -201.3967 -174.5928 759980.8704 -3.7826 -3.6779 PRESSURE: 1630200 319.557 139.349 -32.5829 139.349 117.958 151.915 -32.5829 151.915 275.981 GPRESSURE: 1630200 337.858 152.047 -91.2098 89.6344 180.847 155.765 -49.6726 94.8447 265.112 PRESSAVG: 1630200 -47.7745 -47.7428 -14.5693 -47.7428 19.1841 2.84743 -14.5692 2.84736 8.22935 GPRESSAVG: 1630200 -46.3952 -46.8523 -12.2022 -49.0781 19.4002 2.00712 -15.8308 2.27115 6.9258 TIMING: 1630200 CPU: 5190.73, 0.0031504/step Wall: 5190.73, 0.0031504/step, 2.94895 hours remaining, 240.187500 MB of memory in use. ENERGY: 1630200 3958.0131 20524.4937 14492.7307 241.4248 -203356.2607 2677.7565 0.0000 0.0000 52155.1382 -109306.7037 299.7363 -161461.8419 -108951.0518 299.4040 237.8322 261.2726 758913.0885 -6.7870 -6.6897 PRESSURE: 1630400 52.376 -25.8662 -129.519 -25.866 -139.941 -145.789 -129.519 -145.789 -71.5018 GPRESSURE: 1630400 17.9388 9.55668 -197.848 -11.6083 -115.268 -124.524 -140.476 -231.033 12.454 PRESSAVG: 1630400 27.1958 -42.2353 24.971 -42.2354 -1.02782 -21.9834 24.971 -21.9834 7.41971 GPRESSAVG: 1630400 27.3898 -43.68 24.798 -39.4515 -2.43592 -22.0659 23.7326 -22.8486 8.34888 TIMING: 1630400 CPU: 5191.36, 0.00315203/step Wall: 5191.36, 0.00315203/step, 2.9503 hours remaining, 240.187500 MB of memory in use. ENERGY: 1630400 3999.2865 20395.5546 14515.0792 236.7432 -203135.2106 2517.4903 0.0000 0.0000 52185.5337 -109285.5231 299.9110 -161471.0568 -108920.0495 299.4584 -53.0224 -28.2917 760521.2808 11.1959 11.1009 PRESSURE: 1630600 0.850609 15.9285 6.61378 15.9293 521.305 -123.333 6.61297 -123.333 -158.898 GPRESSURE: 1630600 39.2397 -43.3325 8.21585 -61.4474 501.15 -115.361 32.5365 -99.3158 -121.872 PRESSAVG: 1630600 -30.5946 -60.8885 -7.44824 -60.8885 14.7349 3.2787 -7.44828 3.27872 -9.7155 GPRESSAVG: 1630600 -30.9765 -60.5053 -6.74196 -62.0363 16.1899 3.23123 -6.05003 2.23521 -10.715 TIMING: 1630600 CPU: 5191.99, 0.00315276/step Wall: 5191.99, 0.00315276/step, 2.95081 hours remaining, 240.187500 MB of memory in use. ENERGY: 1630600 4037.7106 20492.8608 14555.2245 251.9559 -203402.9295 2616.3095 0.0000 0.0000 52133.9721 -109314.8961 299.6147 -161448.8683 -108963.8622 299.4640 121.0860 139.5060 760314.4374 -8.5250 -8.5005 PRESSURE: 1630800 55.7361 75.3076 -111.997 75.3066 -66.0733 -18.5187 -111.997 -18.5188 313.052 GPRESSURE: 1630800 159.705 18.742 -142.424 99.7955 -61.1599 9.53471 -93.0427 -35.758 285.004 PRESSAVG: 1630800 17.3188 -27.8407 -21.7217 -27.8408 -43.7573 -6.97669 -21.7217 -6.97677 -26.5858 GPRESSAVG: 1630800 17.6746 -28.2989 -22.9403 -26.6071 -44.835 -8.00694 -20.5872 -5.24084 -26.1727 TIMING: 1630800 CPU: 5192.62, 0.00315924/step Wall: 5192.62, 0.00315924/step, 2.95669 hours remaining, 240.187500 MB of memory in use. ENERGY: 1630800 3939.1874 20483.0032 14485.6743 249.5355 -203267.0926 2640.2123 0.0000 0.0000 52004.8360 -109464.6439 298.8725 -161469.4799 -109105.3396 299.4858 100.9050 127.8500 759407.7867 -17.6748 -17.7777 PRESSURE: 1631000 -232.455 -27.2262 -150.508 -27.2271 -83.8252 -140.178 -150.508 -140.176 241.018 GPRESSURE: 1631000 -64.1608 23.2363 -154.067 -63.8485 -187.479 -130.202 -269.787 -59.6631 260.104 PRESSAVG: 1631000 21.9659 -51.5167 -1.84749 -51.5167 -11.6382 3.52223 -1.84742 3.52225 1.1423 GPRESSAVG: 1631000 21.6596 -49.7744 -0.604491 -53.3885 -11.4554 4.41122 -2.99765 2.84128 1.83135 TIMING: 1631000 CPU: 5193.26, 0.00317592/step Wall: 5193.26, 0.00317592/step, 2.97213 hours remaining, 240.187500 MB of memory in use. ENERGY: 1631000 4021.2140 20469.9264 14456.0552 246.6331 -203017.3800 2581.0754 0.0000 0.0000 51920.3716 -109322.1044 298.3871 -161242.4760 -108958.1724 299.1479 -25.0874 2.8214 761509.8149 3.8233 4.0118 PRESSURE: 1631200 93.8737 -77.0856 -182.151 -77.086 -392.61 -133.389 -182.15 -133.388 -405.296 GPRESSURE: 1631200 198.548 -60.8517 -118.774 -94.8948 -354.369 -79.8872 -178.053 -161.046 -451.995 PRESSAVG: 1631200 22.5974 -61.7929 28.5454 -61.7929 -31.7792 3.16079 28.5455 3.16084 23.2118 GPRESSAVG: 1631200 23.4318 -62.3331 28.385 -62.2511 -32.0209 3.77493 29.2992 4.33637 23.1216 TIMING: 1631200 CPU: 5193.89, 0.00316323/step Wall: 5193.89, 0.00316323/step, 2.96008 hours remaining, 240.187500 MB of memory in use. ENERGY: 1631200 3993.7915 20487.7294 14506.0208 239.2460 -203045.9272 2411.3723 0.0000 0.0000 52104.8547 -109302.9125 299.4473 -161407.7672 -108936.9364 299.1187 -234.6771 -202.6051 760186.7413 4.6766 4.8442 PRESSURE: 1631400 -0.894851 58.2379 69.3817 58.2385 385.94 70.1046 69.3817 70.1045 -122.968 GPRESSURE: 1631400 21.6036 62.4822 94.8391 -6.43936 490.05 108.244 98.8691 88.998 -151.173 PRESSAVG: 1631400 -26.5406 -65.6889 35.1309 -65.6889 36.6079 24.9875 35.1309 24.9876 3.48667 GPRESSAVG: 1631400 -26.9066 -66.6168 33.624 -65.2714 37.364 26.0187 37.3225 24.7472 3.48481 TIMING: 1631400 CPU: 5194.53, 0.00317117/step Wall: 5194.53, 0.00317117/step, 2.96733 hours remaining, 240.187500 MB of memory in use. ENERGY: 1631400 4021.5466 20332.9153 14444.6889 247.3146 -203324.8509 2631.4736 0.0000 0.0000 52050.5336 -109596.3783 299.1351 -161646.9119 -109218.4796 298.7749 87.3591 120.1602 758152.5075 4.5180 4.6474 PRESSURE: 1631600 35.7175 89.3864 -67.6614 89.386 -269.841 9.23321 -67.6617 9.23308 164.075 GPRESSURE: 1631600 152.514 21.3874 -73.093 84.4518 -291.052 117.179 -70.9211 -31.7114 152.164 PRESSAVG: 1631600 4.30971 -40.1953 48.1862 -40.1954 4.08503 45.8 48.1861 45.8 -10.8072 GPRESSAVG: 1631600 2.95269 -38.863 47.6279 -41.3137 4.75725 45.3382 47.5519 45.0882 -10.6143 TIMING: 1631600 CPU: 5195.16, 0.00316375/step Wall: 5195.16, 0.00316375/step, 2.96021 hours remaining, 240.187500 MB of memory in use. ENERGY: 1631600 4025.5632 20405.7353 14546.1681 254.9111 -202936.7131 2409.9173 0.0000 0.0000 51864.2425 -109430.1756 298.0645 -161294.4180 -109067.4994 299.1272 -23.3498 4.5421 760679.1800 -0.8042 -0.9681 PRESSURE: 1631800 -142.872 -86.6309 185.023 -86.6301 -108.129 -127.528 185.023 -127.528 -38.3294 GPRESSURE: 1631800 -92.0763 -154.457 198.402 83.808 -53.8101 -140.72 142.414 88.55 -48.9679 PRESSAVG: 1631800 18.565 -86.2317 -49.1461 -86.2317 -16.0344 -0.890151 -49.1461 -0.890123 7.06446 GPRESSAVG: 1631800 19.2316 -87.809 -47.4876 -84.1725 -17.4142 -2.71283 -51.0171 -0.481644 8.40709 TIMING: 1631800 CPU: 5195.79, 0.00316847/step Wall: 5195.79, 0.00316847/step, 2.96446 hours remaining, 240.187500 MB of memory in use. ENERGY: 1631800 3994.9578 20448.3515 14511.5864 237.1818 -203012.8366 2325.7692 0.0000 0.0000 51931.9375 -109563.0524 298.4536 -161494.9899 -109198.4450 299.2475 -96.4435 -64.9514 759563.8247 3.1983 3.4081 PRESSURE: 1632000 -311.634 -91.8765 -56.7838 -91.876 -80.2258 -56.9632 -56.7832 -56.9637 15.4775 GPRESSURE: 1632000 -281.802 -12.0383 72.9789 -327.14 -111.23 -56.6664 -28.6749 -159.485 83.4523 PRESSAVG: 1632000 20.7178 -85.3502 -18.0381 -85.3503 -27.538 3.93094 -18.0381 3.93094 0.762854 GPRESSAVG: 1632000 21.2982 -84.0883 -17.2595 -87.4214 -26.4087 3.51304 -19.6359 3.87582 -0.536807 TIMING: 1632000 CPU: 5196.42, 0.00315863/step Wall: 5196.42, 0.00315863/step, 2.95508 hours remaining, 240.187500 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: 1632000 3903.7476 20476.8997 14469.1706 240.2835 -202864.0779 2327.1118 0.0000 0.0000 51929.5743 -109517.2904 298.4400 -161446.8647 -109153.6086 298.4194 -125.4609 -103.1932 760622.4930 -2.0191 -1.8824 PRESSURE: 1632200 49.1182 134.697 107.253 134.698 -5.67657 -121.392 107.254 -121.393 18.2785 GPRESSURE: 1632200 30.492 142.04 163.828 145.337 135.317 -214.798 43.0468 1.12742 -29.2835 PRESSAVG: 1632200 18.542 -94.9159 -0.293048 -94.9159 -36.1502 4.45144 -0.293022 4.45148 15.1863 GPRESSAVG: 1632200 19.0408 -95.3108 -1.25656 -94.5563 -35.0847 3.79284 1.70212 4.82924 14.1645 TIMING: 1632200 CPU: 5197.05, 0.00314372/step Wall: 5197.05, 0.00314372/step, 2.94095 hours remaining, 240.187500 MB of memory in use. ENERGY: 1632200 3944.1395 20487.2665 14571.4364 252.4041 -203403.3561 2513.9306 0.0000 0.0000 52126.8893 -109507.2897 299.5739 -161634.1790 -109142.1731 299.0087 20.5734 45.5087 758450.5007 -0.8073 -0.6265 LDB: ============= START OF LOAD BALANCING ============== 5209.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5209.5 LDB: =============== DONE WITH MIGRATION ================ 5209.51 LDB: ============= START OF LOAD BALANCING ============== 5209.82 LDB: Largest compute 7056 load 0.036267 is 18.6% of average load 0.195163 LDB: Average compute 0.004450 is 2.3% of average load 0.195163 LDB: TIME 5209.82 LOAD: AVG 0.195163 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.566 MB LDB: TIME 5209.83 LOAD: AVG 0.195163 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.57 MB LDB: TIME 5209.83 LOAD: AVG 0.195163 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.57 MB LDB: ============== END OF LOAD BALANCING =============== 5209.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5209.83 PRESSURE: 1632400 209.116 19.7126 -41.6738 19.7132 -133.387 117.019 -41.6742 117.02 -76.5288 GPRESSURE: 1632400 262.15 -18.1553 -46.3247 41.5867 -90.1988 83.6525 -64.5436 103.238 -72.3084 PRESSAVG: 1632400 45.0939 -48.7133 -24.869 -48.7133 -58.7874 68.0028 -24.8691 68.0029 -3.49364 GPRESSAVG: 1632400 44.4949 -49.3089 -26.8026 -47.256 -59.6313 69.5315 -24.2147 67.4113 -1.75259 TIMING: 1632400 CPU: 5197.7, 0.00321636/step Wall: 5197.7, 0.00321636/step, 3.00873 hours remaining, 240.496094 MB of memory in use. ENERGY: 1632400 3948.6306 20394.0404 14586.5059 241.4909 -203552.9221 2566.2430 0.0000 0.0000 52051.8889 -109764.1223 299.1429 -161816.0112 -109397.7648 298.9255 -0.2664 33.2141 757846.2151 -5.7290 -5.6297 PRESSURE: 1632600 -223.123 108.118 -17.5328 108.118 -114.703 156.798 -17.5332 156.799 -425.818 GPRESSURE: 1632600 -161.383 113.334 -2.5375 -2.21253 -120.895 155.875 -61.1096 176.857 -420.754 PRESSAVG: 1632600 11.8728 -60.3629 10.9707 -60.3629 -46.3642 43.8204 10.9707 43.8204 13.4291 GPRESSAVG: 1632600 12.3723 -60.392 13.3357 -61.3553 -47.0638 45.0889 11.0298 45.8876 13.6605 TIMING: 1632600 CPU: 5198.32, 0.00313852/step Wall: 5198.32, 0.00313852/step, 2.93574 hours remaining, 240.496094 MB of memory in use. ENERGY: 1632600 3984.8106 20575.0976 14547.7852 258.2605 -203244.8882 2394.2005 0.0000 0.0000 51885.6836 -109599.0501 298.1877 -161484.7337 -109248.0074 298.8723 -254.5481 -234.3442 759222.2314 -7.0208 -7.0104 PRESSURE: 1632800 -109.384 127.42 49.356 127.421 -81.1886 160.208 49.356 160.21 -74.3225 GPRESSURE: 1632800 -79.9891 -23.1691 17.609 117.822 -5.61922 65.1586 -90.5212 145.582 -103.041 PRESSAVG: 1632800 45.3855 -45.6471 42.5743 -45.647 -78.7209 57.0219 42.5743 57.0219 4.43932 GPRESSAVG: 1632800 45.4445 -46.1599 42.1023 -43.0179 -77.5524 56.3882 41.4932 55.1399 3.38755 TIMING: 1632800 CPU: 5198.95, 0.00315299/step Wall: 5198.95, 0.003153/step, 2.9491 hours remaining, 240.496094 MB of memory in use. ENERGY: 1632800 4018.5547 20513.7034 14458.9561 226.7954 -203147.6965 2363.5347 0.0000 0.0000 52056.5749 -109509.5773 299.1699 -161566.1522 -109139.8327 299.4513 -88.2984 -62.8830 758394.4952 -9.6320 -9.5735 PRESSURE: 1633000 -36.956 -0.836112 136.909 -0.837087 -259.781 -81.8275 136.908 -81.8268 -223.493 GPRESSURE: 1633000 -98.4986 12.7049 158.482 -5.63001 -191.893 -61.9646 84.0918 95.219 -152.505 PRESSAVG: 1633000 38.8942 -53.7557 -12.5517 -53.7558 -41.0455 -28.5435 -12.5517 -28.5435 -8.73039 GPRESSAVG: 1633000 38.8343 -52.0322 -12.7951 -56.2732 -41.3723 -28.0341 -13.8017 -27.9129 -8.21187 TIMING: 1633000 CPU: 5199.58, 0.00314062/step Wall: 5199.58, 0.00314062/step, 2.93735 hours remaining, 240.496094 MB of memory in use. ENERGY: 1633000 3959.3601 20487.0652 14494.9573 255.2334 -203227.5026 2472.9871 0.0000 0.0000 52098.9913 -109458.9081 299.4136 -161557.8994 -109097.7450 299.0999 -173.4101 -147.6323 759088.0241 -3.6272 -3.5833 PRESSURE: 1633200 -345.994 106.122 -25.4854 106.122 -321.301 165.478 -25.4852 165.478 -129.903 GPRESSURE: 1633200 -386.984 70.3824 -77.5343 172.942 -196.809 185.475 114.968 138.935 -129.092 PRESSAVG: 1633200 -30.6476 24.577 -18.8468 24.5771 1.05759 -47.6623 -18.8468 -47.6624 8.33648 GPRESSAVG: 1633200 -32.5388 23.1754 -18.2144 26.6397 1.54488 -48.6436 -17.0308 -47.8083 10.0297 TIMING: 1633200 CPU: 5200.21, 0.00314789/step Wall: 5200.21, 0.00314789/step, 2.94397 hours remaining, 240.496094 MB of memory in use. ENERGY: 1633200 3938.7549 20576.5839 14465.0993 239.1425 -202663.9245 2116.5043 0.0000 0.0000 52054.3221 -109273.5176 299.1569 -161327.8397 -108910.2604 299.3695 -265.7324 -237.6283 760388.1245 -7.0845 -6.9881 PRESSURE: 1633400 232.056 -27.7886 19.6879 -27.7879 -20.3907 39.8544 19.6885 39.8558 -292.491 GPRESSURE: 1633400 317.363 -54.6668 -60.6858 -60.2284 -22.1358 79.4628 147.202 -36.7626 -293.158 PRESSAVG: 1633400 -17.0172 20.5179 -6.9763 20.5179 12.095 6.61887 -6.9763 6.61889 17.6399 GPRESSAVG: 1633400 -14.2957 21.8572 -9.64144 20.1461 11.6798 7.43298 -8.23851 8.12065 15.4451 TIMING: 1633400 CPU: 5200.84, 0.00314422/step Wall: 5200.84, 0.00314422/step, 2.94037 hours remaining, 240.496094 MB of memory in use. ENERGY: 1633400 4000.7271 20547.0558 14440.2566 251.8499 -202891.8535 2332.7425 0.0000 0.0000 51952.5994 -109366.6223 298.5723 -161319.2217 -108998.9673 299.0742 -26.9420 0.6900 759071.2152 4.2392 4.2764 PRESSURE: 1633600 212.27 -70.1285 239.912 -70.1289 325.558 83.0382 239.911 83.0385 -189.371 GPRESSURE: 1633600 277.288 -49.178 183.279 -171.406 337.457 78.39 162.083 38.2156 -172.933 PRESSAVG: 1633600 15.3472 -40.4286 -23.1381 -40.4285 -58.7214 -20.1833 -23.1381 -20.1832 -15.1018 GPRESSAVG: 1633600 14.5268 -41.7556 -21.3422 -39.4962 -59.0174 -20.1293 -20.051 -22.8762 -14.05 TIMING: 1633600 CPU: 5201.47, 0.00314813/step Wall: 5201.47, 0.00314813/step, 2.94385 hours remaining, 240.496094 MB of memory in use. ENERGY: 1633600 3961.2598 20456.8986 14427.1289 261.0095 -203026.2990 2279.7909 0.0000 0.0000 52112.7033 -109527.5080 299.4924 -161640.2113 -109164.3108 299.1716 116.1521 147.2708 759094.8275 -19.4920 -19.5135 PRESSURE: 1633800 -193.832 -51.0935 1.5423 -51.094 -396.46 -1.04392 1.54285 -1.04272 -77.9945 GPRESSURE: 1633800 -92.5031 -166.854 -42.385 92.6971 -387.625 37.3906 -12.6299 95.0096 -98.9879 PRESSAVG: 1633800 28.8562 -27.9977 -61.2286 -27.9978 -14.3052 45.9898 -61.2287 45.9898 -7.01272 GPRESSAVG: 1633800 28.2351 -26.005 -60.2452 -30.309 -14.6149 45.6203 -62.2583 47.1397 -7.11271 TIMING: 1633800 CPU: 5202.1, 0.00316352/step Wall: 5202.1, 0.00316352/step, 2.95807 hours remaining, 240.496094 MB of memory in use. ENERGY: 1633800 4015.7065 20358.1940 14417.0761 265.3957 -202782.0587 2265.3488 0.0000 0.0000 52053.0858 -109407.2519 299.1498 -161460.3377 -109055.9237 299.0417 -222.7619 -193.0386 761810.9823 2.5127 2.1692 PRESSURE: 1634000 7.17318 -191.595 124.066 -191.596 -253.648 -108.997 124.066 -108.997 130.38 GPRESSURE: 1634000 39.765 -118.662 65.189 -168.071 -137.087 -26.7846 57.4215 20.2527 64.6016 PRESSAVG: 1634000 10.5245 14.721 -54.9792 14.7211 1.98925 -27.4114 -54.9792 -27.4115 -2.08598 GPRESSAVG: 1634000 10.8398 14.9652 -55.6904 13.7909 1.19891 -26.7383 -54.0866 -24.8977 -2.17174 TIMING: 1634000 CPU: 5202.74, 0.00315943/step Wall: 5202.74, 0.00315943/step, 2.95407 hours remaining, 240.496094 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: 1634000 3973.9867 20632.9437 14516.1556 248.3885 -203317.0243 2534.8070 0.0000 0.0000 52063.1289 -109347.6138 299.2075 -161410.7427 -108980.7632 299.5741 -38.6984 -10.9068 759523.0927 3.4759 3.2890 PRESSURE: 1634200 193.697 166.943 -4.69076 166.943 173.715 222.606 -4.69092 222.605 -59.642 GPRESSURE: 1634200 198.896 146.531 51.3098 115.674 282.002 233.78 -91.4928 154.155 -88.4978 PRESSAVG: 1634200 8.65015 1.90143 -12.9086 1.90139 -9.24404 7.00129 -12.9087 7.00128 16.2921 GPRESSAVG: 1634200 7.95731 0.990126 -13.5105 2.45686 -7.64815 5.78813 -15.5661 2.48441 15.23 TIMING: 1634200 CPU: 5203.37, 0.00316246/step Wall: 5203.37, 0.00316246/step, 2.95672 hours remaining, 240.496094 MB of memory in use. ENERGY: 1634200 3932.8686 20533.7837 14452.7722 249.3783 -203350.5849 2541.2023 0.0000 0.0000 52338.7395 -109301.8402 300.7915 -161640.5798 -108936.9530 299.2976 102.5899 130.8001 759564.9452 5.2327 5.1797 PRESSURE: 1634400 -331.049 -76.567 16.9383 -76.5671 -370.937 16.989 16.9386 16.9888 -106.621 GPRESSURE: 1634400 -243.627 -103.346 -28.0527 50.1654 -361.298 -95.3183 167.597 -34.3809 -100.892 PRESSAVG: 1634400 36.4388 -23.1532 21.1253 -23.1532 6.76884 -25.911 21.1252 -25.9111 -10.432 GPRESSAVG: 1634400 36.4803 -22.9729 21.6006 -22.7212 5.91376 -25.3377 25.1282 -24.8931 -9.08586 TIMING: 1634400 CPU: 5204, 0.00315001/step Wall: 5204, 0.00315001/step, 2.94491 hours remaining, 240.496094 MB of memory in use. ENERGY: 1634400 4107.5678 20448.2106 14402.7544 256.4082 -202932.0237 2228.9498 0.0000 0.0000 52136.1116 -109352.0213 299.6269 -161488.1329 -108987.8410 300.0959 -269.5358 -235.2727 760599.4638 10.9252 11.1027 PRESSURE: 1634600 -96.2216 -27.0082 -0.139911 -27.0084 130.212 -155.785 -0.139643 -155.785 -198.996 GPRESSURE: 1634600 -31.7983 -33.472 49.8513 -9.09114 29.4202 -68.4504 45.5218 -190.439 -105.801 PRESSAVG: 1634600 47.8811 59.7356 -16.0027 59.7356 -40.7749 57.7861 -16.0027 57.7861 -4.37248 GPRESSAVG: 1634600 47.5127 60.8024 -16.0291 58.5765 -40.5594 60.0034 -16.4601 56.1224 -3.69149 TIMING: 1634600 CPU: 5204.63, 0.00316729/step Wall: 5204.63, 0.00316729/step, 2.96089 hours remaining, 240.496094 MB of memory in use. ENERGY: 1634600 3980.9136 20535.1284 14439.4056 262.3522 -203427.4572 2739.0707 0.0000 0.0000 52014.2117 -109456.3751 298.9264 -161470.5868 -109102.8327 299.4377 -55.0021 -36.0598 761214.6011 0.9112 1.0873 PRESSURE: 1634800 -32.6096 -80.3562 229.247 -80.3555 -39.2798 -22.2102 229.248 -22.2098 341.483 GPRESSURE: 1634800 7.82651 -129.316 220.212 -273.329 -38.4787 -130.96 209.885 20.4773 396.862 PRESSAVG: 1634800 14.5181 -25.125 0.64216 -25.1249 33.4223 4.68435 0.642166 4.68439 13.279 GPRESSAVG: 1634800 14.9122 -27.636 1.52726 -23.4713 33.5724 2.38763 -1.71181 6.64488 12.3134 TIMING: 1634800 CPU: 5205.26, 0.00316204/step Wall: 5205.26, 0.00316204/step, 2.9558 hours remaining, 240.496094 MB of memory in use. ENERGY: 1634800 3962.0858 20570.4492 14504.1775 233.2970 -203520.4233 2681.5657 0.0000 0.0000 52278.2367 -109290.6114 300.4437 -161568.8481 -108922.0899 299.7205 89.8645 122.0701 759048.4519 20.4065 20.2660 PRESSURE: 1635000 210.308 -101.925 485.885 -101.924 7.21287 -23.1402 485.885 -23.1403 298.623 GPRESSURE: 1635000 231.088 -59.8354 536.327 -107.238 23.9905 -113.686 443.746 74.1062 360.28 PRESSAVG: 1635000 40.9698 -52.5121 -10.0715 -52.5121 -43.3527 6.06048 -10.0715 6.0605 6.25701 GPRESSAVG: 1635000 40.459 -51.4852 -11.7986 -53.8609 -42.987 6.16845 -8.51062 6.2731 5.76938 TIMING: 1635000 CPU: 5205.9, 0.00315667/step Wall: 5205.9, 0.00315667/step, 2.95061 hours remaining, 240.496094 MB of memory in use. ENERGY: 1635000 3989.8705 20582.6756 14536.0022 267.1735 -203679.1027 2770.2343 0.0000 0.0000 52067.7178 -109465.4289 299.2339 -161533.1467 -109097.5779 299.8241 172.0480 205.1194 759774.4745 1.2914 1.0805 PRESSURE: 1635200 107.752 167.866 126.087 167.867 -230.534 113.104 126.087 113.105 250.06 GPRESSURE: 1635200 62.4469 48.6115 112.68 150.168 -120.122 110.67 176.935 -66.4534 259.037 PRESSAVG: 1635200 -8.008 -59.4181 23.9088 -59.418 34.6533 -7.06059 23.9088 -7.06062 19.9675 GPRESSAVG: 1635200 -7.50127 -60.8294 26.1329 -59.7884 34.252 -6.14858 21.2935 -8.31381 20.2392 TIMING: 1635200 CPU: 5206.53, 0.00315653/step Wall: 5206.53, 0.00315653/step, 2.9503 hours remaining, 240.496094 MB of memory in use. ENERGY: 1635200 4008.6985 20548.4829 14504.0226 215.2753 -203205.1119 2232.6070 0.0000 0.0000 52037.9524 -109658.0732 299.0628 -161696.0256 -109294.9739 299.3531 42.4257 67.1209 758965.0463 15.5376 15.6633 PRESSURE: 1635400 -120.172 53.7964 92.2042 53.7967 -149.232 -110.588 92.2049 -110.588 -32.5919 GPRESSURE: 1635400 -73.6281 52.8294 105.698 -139.789 -178.344 -122.107 70.2183 65.0429 35.5198 PRESSAVG: 1635400 2.85176 -48.7729 -13.8239 -48.7729 -0.947852 41.2732 -13.824 41.2733 -3.08084 GPRESSAVG: 1635400 3.03175 -48.5142 -14.5149 -48.0695 -1.68676 39.7536 -12.2658 41.9641 -2.11923 TIMING: 1635400 CPU: 5207.16, 0.00315377/step Wall: 5207.16, 0.00315377/step, 2.94755 hours remaining, 240.496094 MB of memory in use. ENERGY: 1635400 4008.0208 20506.1239 14454.4433 234.1871 -203456.9188 2622.2214 0.0000 0.0000 52130.3013 -109501.6209 299.5936 -161631.9222 -109140.6363 299.5985 -100.6652 -72.1506 759561.8283 -0.3923 -0.2581 PRESSURE: 1635600 32.0943 51.0544 58.3225 51.0544 -78.1621 -51.5872 58.3243 -51.5868 307.55 GPRESSURE: 1635600 116.358 23.6084 81.4199 47.0072 -5.3556 -76.6112 100.081 -119.433 224.525 PRESSAVG: 1635600 54.2808 -2.00173 -43.8102 -2.00165 -34.0705 0.393749 -43.8103 0.393737 -3.0919 GPRESSAVG: 1635600 54.2898 -1.09095 -45.0047 -2.0209 -32.6495 1.22333 -42.8638 1.53998 -4.11721 TIMING: 1635600 CPU: 5207.79, 0.00314941/step Wall: 5207.79, 0.00314941/step, 2.9433 hours remaining, 240.496094 MB of memory in use. ENERGY: 1635600 3945.8917 20334.7540 14501.7560 240.7101 -203587.4438 2673.9896 0.0000 0.0000 52239.0514 -109651.2909 300.2185 -161890.3424 -109299.8895 299.2168 87.1606 111.8424 760833.4949 5.7061 5.8410 PRESSURE: 1635800 -55.7865 -209.974 -8.37583 -209.974 55.3498 9.94517 -8.37645 9.94474 -173.985 GPRESSURE: 1635800 66.9267 -73.8566 11.5117 -108.639 -22.6525 -15.5397 24.6748 -60.1981 -141.843 PRESSAVG: 1635800 18.5321 -56.5589 -22.5004 -56.5589 -22.0677 -49.5706 -22.5004 -49.5707 2.80363 GPRESSAVG: 1635800 18.7806 -57.7292 -22.5426 -56.3667 -23.0195 -50.5559 -23.4971 -49.3758 3.44189 TIMING: 1635800 CPU: 5208.42, 0.00315415/step Wall: 5208.42, 0.00315415/step, 2.94756 hours remaining, 240.496094 MB of memory in use. ENERGY: 1635800 4006.6365 20463.8292 14551.6125 240.5839 -203470.9076 2483.5432 0.0000 0.0000 52182.2380 -109542.4643 299.8920 -161724.7023 -109185.0972 298.8116 -58.1407 -32.5228 760842.1820 -0.2440 -0.2657 PRESSURE: 1636000 64.2247 -151.254 -29.5989 -151.254 140.264 89.252 -29.5993 89.2514 36.6744 GPRESSURE: 1636000 -6.25048 -62.7657 -33.9312 -161.97 291.559 106.601 130.555 235.45 28.5942 PRESSAVG: 1636000 61.1765 -47.1744 12.3957 -47.1744 -79.1566 -31.9247 12.3957 -31.9248 5.57754 GPRESSAVG: 1636000 60.4476 -45.5946 11.8606 -48.566 -77.8549 -32.1038 14.1467 -31.2682 5.74126 TIMING: 1636000 CPU: 5209.06, 0.0031923/step Wall: 5209.06, 0.0031923/step, 2.98303 hours remaining, 240.496094 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: 1636000 3959.7297 20663.1610 14435.9254 250.9892 -203301.2911 2568.7484 0.0000 0.0000 51859.6619 -109563.0756 298.0382 -161422.7375 -109205.3728 298.8859 80.3876 104.6343 762346.4751 -4.1342 -3.8887 PRESSURE: 1636200 -111.427 -86.8186 -83.5335 -86.8179 -367.98 70.5393 -83.5333 70.5392 -39.2081 GPRESSURE: 1636200 -93.5192 10.4631 -136.914 -176.631 -327.448 -9.60627 -178.543 82.7621 -18.907 PRESSAVG: 1636200 34.8871 -56.0354 58.3069 -56.0354 -9.68818 51.7241 58.3069 51.7241 30.9175 GPRESSAVG: 1636200 34.4934 -56.8569 61.3736 -55.5957 -9.67288 52.2346 55.5656 51.6389 31.1075 TIMING: 1636200 CPU: 5209.69, 0.00314332/step Wall: 5209.69, 0.00314332/step, 2.93709 hours remaining, 240.496094 MB of memory in use. ENERGY: 1636200 3972.7898 20602.6410 14473.4539 252.5856 -202908.8631 2122.7553 0.0000 0.0000 51916.2317 -109568.4057 298.3633 -161484.6375 -109204.3030 298.5126 -172.8718 -146.6247 761266.1646 18.7055 18.6427 LDB: ============= START OF LOAD BALANCING ============== 5222.14 LDB: ============== END OF LOAD BALANCING =============== 5222.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5222.14 LDB: ============= START OF LOAD BALANCING ============== 5222.45 LDB: Largest compute 7032 load 0.036477 is 18.7% of average load 0.195126 LDB: Average compute 0.004444 is 2.3% of average load 0.195126 LDB: TIME 5222.46 LOAD: AVG 0.195126 MAX 0.211364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.562 MB LDB: TIME 5222.46 LOAD: AVG 0.195126 MAX 0.211364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.566 MB LDB: TIME 5222.46 LOAD: AVG 0.195126 MAX 0.211364 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.566 MB LDB: ============== END OF LOAD BALANCING =============== 5222.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5222.46 PRESSURE: 1636400 -82.4865 108.606 -10.3053 108.606 -159.87 21.7497 -10.3048 21.7491 31.76 GPRESSURE: 1636400 -142.651 17.5001 -13.6759 69.4017 -126.934 47.1533 -10.5645 -129.033 144.907 PRESSAVG: 1636400 21.5682 -35.3177 5.03914 -35.3177 -62.7184 27.9159 5.03911 27.9158 4.51121 GPRESSAVG: 1636400 21.0546 -35.1276 2.67575 -35.3926 -63.3258 28.7217 7.32754 26.2059 5.14502 TIMING: 1636400 CPU: 5210.33, 0.00321051/step Wall: 5210.33, 0.00321051/step, 2.99969 hours remaining, 239.214844 MB of memory in use. ENERGY: 1636400 3906.9953 20412.8278 14421.5479 240.0332 -203309.7468 2713.5682 0.0000 0.0000 52069.0020 -109545.7724 299.2413 -161614.7744 -109179.6557 298.9975 -70.1990 -41.5592 761512.8956 -12.2130 -12.3754 PRESSURE: 1636600 67.7193 -262.129 83.7247 -262.128 12.2383 10.2081 83.7244 10.2089 382.797 GPRESSURE: 1636600 27.9829 -246.219 164.081 -141.597 95.9345 -25.8712 35.6167 150.401 450.198 PRESSAVG: 1636600 57.7752 -44.6866 14.8832 -44.6866 -38.6721 25.2432 14.8832 25.2432 -18.931 GPRESSAVG: 1636600 58.4716 -44.5316 15.1275 -44.553 -38.4589 25.8603 14.1739 25.8003 -19.4483 TIMING: 1636600 CPU: 5210.96, 0.00314719/step Wall: 5210.96, 0.00314719/step, 2.94035 hours remaining, 239.214844 MB of memory in use. ENERGY: 1636600 4005.1312 20611.3943 14570.2417 269.5111 -203396.6061 2599.5471 0.0000 0.0000 51878.0544 -109462.7263 298.1439 -161340.7807 -109113.7965 299.1575 154.2515 191.3716 760558.8081 0.0573 0.1881 PRESSURE: 1636800 54.9045 -365.463 -84.6882 -365.464 -173.007 170.534 -84.688 170.533 97.861 GPRESSURE: 1636800 51.7022 -327.197 -112.635 -318.18 -110.709 252.424 -157.256 167.858 103.3 PRESSAVG: 1636800 37.3901 -6.51454 45.2094 -6.51451 -24.0156 30.144 45.2094 30.144 -4.68048 GPRESSAVG: 1636800 37.8948 -6.55064 43.6527 -5.51735 -23.8646 28.6899 44.6808 30.1013 -4.87491 TIMING: 1636800 CPU: 5211.59, 0.00315837/step Wall: 5211.59, 0.00315837/step, 2.95062 hours remaining, 239.214844 MB of memory in use. ENERGY: 1636800 3957.1179 20592.4898 14470.2018 229.1554 -203614.5348 2718.3455 0.0000 0.0000 52132.0624 -109515.1619 299.6037 -161647.2243 -109149.2185 299.2943 -6.7472 14.7642 763504.2948 2.8980 3.0518 PRESSURE: 1637000 -213.057 75.7168 -278.539 75.7169 -19.6569 -46.4128 -278.539 -46.4131 238.369 GPRESSURE: 1637000 -276.919 77.9528 -229.978 5.38193 33.398 -21.937 -219.269 42.2503 298.737 PRESSAVG: 1637000 27.153 53.215 -10.0783 53.2149 -6.16906 0.938051 -10.0783 0.937969 -20.8468 GPRESSAVG: 1637000 26.1398 52.3603 -7.32775 52.6521 -5.53149 1.75455 -10.4672 0.374024 -21.0133 TIMING: 1637000 CPU: 5212.22, 0.00314494/step Wall: 5212.22, 0.00314494/step, 2.9379 hours remaining, 239.214844 MB of memory in use. ENERGY: 1637000 4025.6411 20709.8717 14443.3135 224.1132 -203477.6748 2801.5904 0.0000 0.0000 51961.7065 -109311.4383 298.6246 -161273.1449 -108940.2529 299.5339 1.8850 18.4054 762931.1465 0.0457 -0.1350 PRESSURE: 1637200 -118.107 -174.856 137.912 -174.857 -56.3533 -82.2197 137.912 -82.2193 127.079 GPRESSURE: 1637200 -77.5955 -198.524 86.2672 -127.473 -5.38467 -102.59 159.544 -3.69338 94.3089 PRESSAVG: 1637200 48.0529 -25.4242 -2.10665 -25.4242 -35.1471 -21.8963 -2.10664 -21.8963 9.32576 GPRESSAVG: 1637200 49.0473 -26.4925 -3.53409 -24.8749 -36.9624 -22.8679 -2.06213 -21.0975 10.1046 TIMING: 1637200 CPU: 5212.85, 0.00314007/step Wall: 5212.85, 0.00314007/step, 2.93317 hours remaining, 239.214844 MB of memory in use. ENERGY: 1637200 3980.5639 20585.5885 14490.0811 242.2165 -203150.0510 2428.5937 0.0000 0.0000 51991.3712 -109431.6360 298.7951 -161423.0073 -109065.6839 299.5590 -15.7940 3.7763 762596.3459 7.4105 7.3965 PRESSURE: 1637400 331.444 221.991 -19.1648 221.991 152.85 59.2797 -19.1641 59.2788 92.1706 GPRESSURE: 1637400 368.826 113.365 2.41083 222.732 196.446 63.9095 -80.8879 -69.448 114.391 PRESSAVG: 1637400 -36.18 -43.7362 21.0999 -43.7362 55.2877 9.112 21.0999 9.11196 -33.2344 GPRESSAVG: 1637400 -36.2984 -39.4206 22.2419 -45.1637 55.3213 9.83448 21.1529 8.16995 -33.1028 TIMING: 1637400 CPU: 5213.47, 0.00314003/step Wall: 5213.47, 0.00314003/step, 2.93297 hours remaining, 239.214844 MB of memory in use. ENERGY: 1637400 4025.5669 20464.9249 14473.6836 237.7322 -202927.1189 2332.1068 0.0000 0.0000 52160.4926 -109232.6120 299.7671 -161393.1045 -108857.5635 299.7069 192.1549 226.5543 760581.5805 -4.7089 -4.6933 PRESSURE: 1637600 113.331 -288.148 5.98847 -288.148 -14.4481 -164.996 5.98878 -164.996 390.416 GPRESSURE: 1637600 155.969 -227.816 35.1312 -291.168 79.6304 -88.2412 -39.9528 -201.779 354.955 PRESSAVG: 1637600 20.8729 -65.7126 9.6877 -65.7126 42.0345 31.6023 9.68775 31.6023 15.6556 GPRESSAVG: 1637600 20.1019 -70.7177 7.77517 -63.4113 42.1777 31.1641 8.48377 32.0502 16.0415 TIMING: 1637600 CPU: 5214.1, 0.00314211/step Wall: 5214.1, 0.00314212/step, 2.93474 hours remaining, 239.214844 MB of memory in use. ENERGY: 1637600 3939.4648 20405.0155 14433.8674 259.7090 -203447.6540 2608.8572 0.0000 0.0000 52214.3174 -109586.4226 300.0764 -161800.7401 -109236.4182 299.7008 163.0997 196.8516 760208.7123 26.1877 26.1070 PRESSURE: 1637800 -76.0726 106.36 13.1193 106.361 -284.039 -9.07144 13.1199 -9.07241 -83.4536 GPRESSURE: 1637800 -123.397 184.125 38.9791 25.7828 -89.0682 -73.3584 -4.91299 -62.9234 -136.582 PRESSAVG: 1637800 43.5107 -25.3372 -4.07642 -25.3371 -52.5572 13.2803 -4.07644 13.2803 -8.97718 GPRESSAVG: 1637800 43.9117 -22.939 -3.27847 -27.1797 -51.5515 12.0616 -0.747489 15.4888 -10.4509 TIMING: 1637800 CPU: 5214.73, 0.0031601/step Wall: 5214.73, 0.0031601/step, 2.95136 hours remaining, 239.214844 MB of memory in use. ENERGY: 1637800 4043.8907 20557.4913 14447.1975 245.4491 -203502.4035 2773.3496 0.0000 0.0000 51995.8310 -109439.1944 298.8208 -161435.0254 -109081.2624 299.2119 -147.8551 -116.3492 762657.9346 -6.0079 -6.0302 PRESSURE: 1638000 264.707 -218.103 9.92672 -218.103 -142.833 18.7337 9.92721 18.7325 -276.511 GPRESSURE: 1638000 220.196 -156.627 43.5155 -179.793 -13.5226 53.8684 6.98212 1.49257 -303.744 PRESSAVG: 1638000 14.6346 -22.6923 43.1399 -22.6923 -41.2947 13.801 43.1398 13.801 7.31201 GPRESSAVG: 1638000 13.1799 -22.0114 43.0922 -22.2947 -42.2048 14.1107 42.6212 11.2716 9.87362 TIMING: 1638000 CPU: 5215.37, 0.0031686/step Wall: 5215.37, 0.0031686/step, 2.95912 hours remaining, 239.214844 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: 1638000 3991.7420 20612.1238 14485.9608 239.9685 -203261.6789 2573.6798 0.0000 0.0000 52136.0129 -109222.1910 299.6264 -161358.2039 -108872.0229 299.5660 -51.5457 -32.3567 761209.3671 -6.4494 -6.3838 PRESSURE: 1638200 33.6859 95.316 -173.306 95.3163 108.702 -145.792 -173.306 -145.791 -56.823 GPRESSURE: 1638200 103.066 165.777 -147.498 155.265 115.038 -191.891 -150.367 -57.6938 -61.8494 PRESSAVG: 1638200 80.8746 -100.231 3.04787 -100.231 -48.2332 33.3914 3.04786 33.3914 -25.6822 GPRESSAVG: 1638200 82.9346 -101.115 2.7518 -97.5991 -49.4018 31.4247 1.67527 32.1958 -26.8019 TIMING: 1638200 CPU: 5216, 0.00315258/step Wall: 5216, 0.00315258/step, 2.94398 hours remaining, 239.214844 MB of memory in use. ENERGY: 1638200 3967.9553 20493.9516 14470.0355 243.9666 -203224.4862 2531.0479 0.0000 0.0000 52210.4325 -109307.0968 300.0541 -161517.5293 -108940.7916 299.5817 28.5215 52.0850 761871.5644 2.3197 2.2436 PRESSURE: 1638400 -54.4567 141.038 74.7967 141.038 37.5582 -79.1315 74.7965 -79.1322 468.995 GPRESSURE: 1638400 -55.2966 91.5114 95.4192 134.912 114.696 -128.007 60.658 30.3613 452.226 PRESSAVG: 1638400 4.67725 -50.5363 -18.6533 -50.5363 -43.0983 35.544 -18.6533 35.5439 1.6579 GPRESSAVG: 1638400 3.9989 -50.359 -18.8339 -52.3416 -41.214 37.1247 -16.5507 38.5446 0.378109 TIMING: 1638400 CPU: 5216.63, 0.00317019/step Wall: 5216.63, 0.00317019/step, 2.96025 hours remaining, 239.214844 MB of memory in use. ENERGY: 1638400 3999.7502 20476.5084 14510.7543 233.9088 -203280.9447 2524.3776 0.0000 0.0000 52300.9808 -109234.6644 300.5745 -161535.6452 -108866.7186 299.6946 150.6988 170.5415 760643.9573 -12.2544 -12.2790 PRESSURE: 1638600 90.6068 49.0075 -176.194 49.0069 -48.9623 49.0093 -176.193 49.0102 -180.504 GPRESSURE: 1638600 177.349 23.0896 -231.825 -84.2679 -46.3592 -23.9376 -200.767 64.386 -169.096 PRESSAVG: 1638600 10.8261 -56.0166 21.4275 -56.0166 -30.8084 32.5935 21.4275 32.5935 0.772987 GPRESSAVG: 1638600 10.5385 -56.7145 21.6251 -56.8473 -30.945 32.5256 21.5158 31.5485 0.902698 TIMING: 1638600 CPU: 5217.27, 0.00316994/step Wall: 5217.27, 0.00316994/step, 2.95984 hours remaining, 239.214844 MB of memory in use. ENERGY: 1638600 4031.8601 20526.4883 14508.3794 231.5713 -203398.2062 2619.8046 0.0000 0.0000 52221.2400 -109258.8625 300.1162 -161480.1025 -108908.0382 299.2778 -46.2864 -12.7020 762533.4146 -6.4031 -6.5012 PRESSURE: 1638800 25.4224 133.144 144.15 133.143 -76.9493 182.941 144.151 182.94 227.776 GPRESSURE: 1638800 4.83454 48.3933 35.7078 17.5753 12.8507 193.379 236.384 75.203 266.705 PRESSAVG: 1638800 27.8616 -20.0938 71.2087 -20.0938 -25.345 26.2953 71.2087 26.2953 -4.24208 GPRESSAVG: 1638800 28.1633 -17.9875 69.4281 -22.0568 -25.6218 25.7911 68.7279 25.8174 -4.60493 TIMING: 1638800 CPU: 5217.9, 0.00316329/step Wall: 5217.9, 0.00316329/step, 2.95345 hours remaining, 239.214844 MB of memory in use. ENERGY: 1638800 3950.7197 20396.9154 14483.2439 256.4436 -203240.7148 2625.3391 0.0000 0.0000 52152.3050 -109375.7482 299.7200 -161528.0532 -109005.0775 299.3945 58.7498 94.7966 762592.8192 -0.5752 -0.6878 PRESSURE: 1639000 -24.521 -23.5752 350.759 -23.5751 216.611 195.072 350.759 195.071 -195.358 GPRESSURE: 1639000 109.894 47.3602 269.345 -71.883 199.757 189.648 350.596 150.049 -242.597 PRESSAVG: 1639000 23.0174 -50.4683 23.5607 -50.4683 -9.59615 41.728 23.5607 41.7279 26.914 GPRESSAVG: 1639000 22.8695 -51.8903 23.8037 -48.43 -9.64757 42.6262 24.6969 40.4081 26.9491 TIMING: 1639000 CPU: 5218.53, 0.00314989/step Wall: 5218.53, 0.00314989/step, 2.94077 hours remaining, 239.214844 MB of memory in use. ENERGY: 1639000 3989.8788 20454.4794 14458.1210 271.3438 -203455.2419 2918.6568 0.0000 0.0000 51966.7710 -109395.9911 298.6537 -161362.7621 -109035.8995 299.2769 -1.0894 22.3513 762846.1677 13.4451 13.3903 PRESSURE: 1639200 432.442 -111.138 -61.9951 -111.138 -154.752 -9.93943 -61.9956 -9.94008 -6.3277 GPRESSURE: 1639200 311.666 -232.959 -68.9487 -88.8859 -35.283 -0.0612407 41.8752 36.6534 82.0098 PRESSAVG: 1639200 18.8802 -26.5831 22.1957 -26.5831 -42.436 22.8873 22.1958 22.8873 -5.61168 GPRESSAVG: 1639200 18.7884 -26.1517 23.1706 -27.0067 -42.7869 22.7962 22.9508 23.7768 -5.18824 TIMING: 1639200 CPU: 5219.16, 0.00315317/step Wall: 5219.16, 0.00315317/step, 2.94366 hours remaining, 239.214844 MB of memory in use. ENERGY: 1639200 4089.9031 20790.6466 14474.2680 229.7483 -203514.4073 2886.9032 0.0000 0.0000 51820.9655 -109221.9726 297.8158 -161042.9381 -108867.6619 299.5879 90.4541 119.4642 760753.2717 -9.7225 -9.7289 PRESSURE: 1639400 122.516 98.8613 26.214 98.8608 82.7295 15.7402 26.2144 15.7393 390.556 GPRESSURE: 1639400 241.817 27.9636 112.184 123.6 110.595 66.56 6.20995 -103.931 312.842 PRESSAVG: 1639400 26.4291 28.9098 29.4511 28.9097 -37.3668 26.873 29.4511 26.873 -2.78435 GPRESSAVG: 1639400 26.3562 28.231 30.3979 28.5379 -35.9513 27.3273 29.6591 27.2788 -4.13139 TIMING: 1639400 CPU: 5219.79, 0.00315282/step Wall: 5219.79, 0.00315282/step, 2.94316 hours remaining, 239.214844 MB of memory in use. ENERGY: 1639400 3992.0729 20491.9816 14536.0035 253.1926 -203693.5523 2670.9589 0.0000 0.0000 52323.0928 -109426.2500 300.7015 -161749.3428 -109054.5444 299.6176 198.6004 221.7514 759418.0878 -4.5740 -4.5755 PRESSURE: 1639600 -164.942 149.725 -53.2879 149.725 -462.358 -29.9601 -53.2874 -29.9603 -249.407 GPRESSURE: 1639600 -226.532 177.907 -125.458 152.587 -360.645 21.2219 8.42953 -91.3945 -208.741 PRESSAVG: 1639600 15.5972 -24.7023 -30.5541 -24.7023 -62.7842 15.8474 -30.5542 15.8473 -27.752 GPRESSAVG: 1639600 14.7217 -23.4275 -31.2929 -22.9915 -63.362 15.7573 -32.9296 15.0148 -26.2892 TIMING: 1639600 CPU: 5220.42, 0.00316216/step Wall: 5220.42, 0.00316216/step, 2.9517 hours remaining, 239.214844 MB of memory in use. ENERGY: 1639600 3924.0676 20690.5590 14483.2097 239.4056 -203370.8426 2438.6698 0.0000 0.0000 52154.9399 -109439.9910 299.7352 -161594.9309 -109082.3444 299.6506 -292.2358 -265.3060 762162.3719 -24.9797 -24.9765 PRESSURE: 1639800 195.336 -233.296 -144.535 -233.297 -150.51 -136.061 -144.536 -136.061 137.048 GPRESSURE: 1639800 103.391 -275.257 -108.14 -239.345 -116.719 -109.019 -106.378 -65.2016 261.327 PRESSAVG: 1639800 -23.944 -16.1974 -44.1337 -16.1975 38.2835 35.6096 -44.1337 35.6097 -3.048 GPRESSAVG: 1639800 -23.3403 -17.0937 -45.2987 -16.9875 38.427 36.1061 -41.6986 35.5575 -3.19518 TIMING: 1639800 CPU: 5221.06, 0.003164/step Wall: 5221.06, 0.003164/step, 2.95324 hours remaining, 239.214844 MB of memory in use. ENERGY: 1639800 4034.4316 20595.7912 14450.1813 254.7282 -203099.0461 2455.3008 0.0000 0.0000 52040.0009 -109268.6121 299.0746 -161308.6130 -108902.0590 299.4954 60.6248 82.6662 758642.4611 3.7638 3.9639 PRESSURE: 1640000 -209.775 -24.5162 -148.665 -24.5172 -101.038 -46.1588 -148.665 -46.1592 -519.741 GPRESSURE: 1640000 -196.128 70.9036 -117.858 -93.7877 -73.1661 -12.8682 -71.259 -15.4645 -458.051 PRESSAVG: 1640000 11.3347 -35.9406 45.4531 -35.9407 0.364746 5.85919 45.4531 5.85924 24.9152 GPRESSAVG: 1640000 12.077 -36.3471 47.1386 -35.4979 -0.504607 6.04091 44.9049 6.61126 25.1902 TIMING: 1640000 CPU: 5221.69, 0.00317278/step Wall: 5221.69, 0.00317278/step, 2.96126 hours remaining, 239.214844 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: 1640000 3962.9464 20642.4408 14432.8075 233.8534 -203162.5529 2427.2048 0.0000 0.0000 52272.9644 -109190.3356 300.4134 -161463.3000 -108831.7170 299.9675 -276.8517 -242.4482 761680.1209 12.2049 12.2542 PRESSURE: 1640200 -293.869 -161.154 -52.7292 -161.154 -10.2841 95.8671 -52.7284 95.8666 -342.957 GPRESSURE: 1640200 -160.493 -137.324 -24.5286 -138.173 -51.1775 126.22 -156.585 63.9537 -321.611 PRESSAVG: 1640200 -43.5872 -23.3393 7.77794 -23.3393 -0.387647 54.5004 7.77793 54.5004 -8.85845 GPRESSAVG: 1640200 -43.0138 -23.5347 6.87623 -22.658 -0.391276 52.9193 8.21183 54.678 -9.26119 TIMING: 1640200 CPU: 5222.32, 0.00317281/step Wall: 5222.32, 0.00317281/step, 2.96112 hours remaining, 239.214844 MB of memory in use. ENERGY: 1640200 4024.7938 20423.4616 14517.0887 263.3609 -202933.9834 2348.6873 0.0000 0.0000 51791.5687 -109565.0226 297.6469 -161356.5912 -109205.6829 299.4210 -215.7035 -177.7604 761313.8462 -17.6111 -17.5554 LDB: ============= START OF LOAD BALANCING ============== 5234.78 LDB: ============== END OF LOAD BALANCING =============== 5234.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5234.78 LDB: ============= START OF LOAD BALANCING ============== 5235.09 LDB: Largest compute 7078 load 0.034942 is 17.9% of average load 0.195227 LDB: Average compute 0.004416 is 2.3% of average load 0.195227 LDB: TIME 5235.1 LOAD: AVG 0.195227 MAX 0.212458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.5 MB LDB: TIME 5235.1 LOAD: AVG 0.195227 MAX 0.212458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: TIME 5235.1 LOAD: AVG 0.195227 MAX 0.212458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: ============== END OF LOAD BALANCING =============== 5235.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5235.1 PRESSURE: 1640400 74.1994 -89.2878 85.2657 -89.2876 -48.2671 -51.8014 85.266 -51.8015 7.92463 GPRESSURE: 1640400 65.5871 -100.858 65.6322 -106.722 -6.45168 -48.7646 158.621 141.728 58.1547 PRESSAVG: 1640400 11.7171 -69.0172 -21.6997 -69.0171 -7.46098 -10.2165 -21.6998 -10.2165 0.154255 GPRESSAVG: 1640400 11.2108 -67.7075 -21.5025 -69.4753 -6.83006 -9.84395 -22.9471 -10.6079 0.42304 TIMING: 1640400 CPU: 5222.97, 0.00321859/step Wall: 5222.97, 0.00321859/step, 3.00366 hours remaining, 240.699219 MB of memory in use. ENERGY: 1640400 3891.9531 20520.4256 14542.7930 252.2851 -203490.4532 2530.9084 0.0000 0.0000 51961.0788 -109791.0093 298.6210 -161752.0880 -109426.3341 298.6884 11.2856 39.0967 760171.7218 1.4701 1.6013 PRESSURE: 1640600 -60.0843 -0.666872 -13.921 -0.66636 -10.0282 17.3444 -13.9217 17.3437 -31.6123 GPRESSURE: 1640600 -86.3973 -79.8692 -55.5226 62.1779 10.5202 44.8114 -158.456 -16.317 44.2415 PRESSAVG: 1640600 1.05068 -17.6652 -31.1722 -17.6652 14.5431 -39.9483 -31.1722 -39.9483 10.3155 GPRESSAVG: 1640600 1.58921 -18.2944 -32.7226 -18.4437 14.0774 -39.412 -29.1398 -39.8749 9.99475 TIMING: 1640600 CPU: 5223.6, 0.00313956/step Wall: 5223.6, 0.00313956/step, 2.92973 hours remaining, 240.757812 MB of memory in use. ENERGY: 1640600 3947.9533 20581.7736 14478.4265 244.6787 -203811.4914 2959.3698 0.0000 0.0000 51842.5663 -109756.7232 297.9399 -161599.2895 -109399.5492 298.6584 -33.9083 -10.5452 759765.3434 8.6365 8.5538 PRESSURE: 1640800 -191.683 133.464 64.5001 133.464 -144.294 -166.334 64.5004 -166.333 1.36502 GPRESSURE: 1640800 -132.567 62.0051 12.041 49.1904 -109.797 -183.483 26.4 -114.403 -6.87281 PRESSAVG: 1640800 20.5029 -2.2245 -17.2811 -2.22451 -11.4536 -32.3763 -17.2811 -32.3764 -34.2291 GPRESSAVG: 1640800 20.6896 -2.26592 -13.703 -3.24703 -12.1785 -32.2673 -18.8987 -35.2101 -34.037 TIMING: 1640800 CPU: 5224.22, 0.00313458/step Wall: 5224.22, 0.00313459/step, 2.92492 hours remaining, 240.757812 MB of memory in use. ENERGY: 1640800 3962.2810 20568.6046 14443.1340 247.5298 -203223.9762 2423.4200 0.0000 0.0000 51848.8778 -109730.1291 297.9762 -161579.0068 -109362.8315 298.6862 -111.5373 -83.0787 761780.9777 -8.3932 -8.5087 PRESSURE: 1641000 -56.4101 21.1093 -206.18 21.1097 -154.818 -113.229 -206.18 -113.229 14.535 GPRESSURE: 1641000 -28.5444 64.9385 -138.975 22.7232 -86.3922 -136.77 -216.011 -38.1881 20.3346 PRESSAVG: 1641000 39.9623 -24.2766 -0.419731 -24.2765 -57.6067 -53.7587 -0.419723 -53.7588 -1.43214 GPRESSAVG: 1641000 40.8123 -22.1783 -1.24021 -26.3852 -57.0456 -52.6283 0.711788 -52.677 -2.12415 TIMING: 1641000 CPU: 5224.85, 0.00315496/step Wall: 5224.85, 0.00315496/step, 2.94375 hours remaining, 240.757812 MB of memory in use. ENERGY: 1641000 4011.6864 20554.6229 14441.6668 224.6738 -203487.4508 2593.5603 0.0000 0.0000 52169.7934 -109491.4472 299.8205 -161661.2406 -109126.8141 298.5457 -65.5642 -31.5340 760498.0003 -6.3588 -6.1192 PRESSURE: 1641200 -284.892 290.631 -53.8696 290.631 -315.26 -189.445 -53.8709 -189.445 -321.592 GPRESSURE: 1641200 -170.197 289.702 -74.2975 234.641 -317.521 -163.176 -64.3201 -133.273 -335.32 PRESSAVG: 1641200 46.0142 14.5466 -4.52303 14.5466 -17.0506 -18.8394 -4.52303 -18.8394 -15.7121 GPRESSAVG: 1641200 44.5351 12.7664 -4.47983 18.5609 -15.7904 -20.0736 -5.66109 -18.0359 -15.3088 TIMING: 1641200 CPU: 5225.48, 0.00315088/step Wall: 5225.48, 0.00315088/step, 2.93977 hours remaining, 240.757812 MB of memory in use. ENERGY: 1641200 4046.5394 20711.7839 14452.1663 240.8890 -203490.9287 2624.1300 0.0000 0.0000 51933.9089 -109481.5111 298.4649 -161415.4200 -109126.6203 299.2987 -307.2479 -274.3459 762857.9318 4.4171 4.4786 PRESSURE: 1641400 60.7965 -198.796 51.0643 -198.796 -229.355 36.2688 51.0647 36.2684 43.6174 GPRESSURE: 1641400 94.9877 -213.456 -2.6497 -216.175 -213.666 69.1013 139.531 -131.31 89.6299 PRESSAVG: 1641400 43.0585 -63.4575 -17.3039 -63.4575 -10.2001 -26.4687 -17.3039 -26.4686 13.016 GPRESSAVG: 1641400 43.051 -64.4003 -18.7026 -65.5544 -11.7245 -26.3796 -16.6823 -28.0402 14.2495 TIMING: 1641400 CPU: 5226.11, 0.0031339/step Wall: 5226.11, 0.0031339/step, 2.92375 hours remaining, 240.757812 MB of memory in use. ENERGY: 1641400 4035.9091 20503.6992 14460.5368 246.8920 -203330.1736 2679.8987 0.0000 0.0000 51916.9589 -109486.2790 298.3675 -161403.2379 -109135.2161 298.9324 -41.6471 -9.6828 762233.4922 15.2914 15.1920 PRESSURE: 1641600 -8.58516 68.0751 155.43 68.0746 -395.304 195.341 155.43 195.34 -303.818 GPRESSURE: 1641600 -100.652 152.479 197.151 22.6025 -272.955 245.228 34.4338 202.756 -250.662 PRESSAVG: 1641600 -18.8643 -50.5933 18.1395 -50.5933 22.5441 -24.4812 18.1396 -24.4812 6.81501 GPRESSAVG: 1641600 -18.3811 -50.6662 17.6296 -47.8981 22.9361 -23.7579 19.7987 -21.497 5.79243 TIMING: 1641600 CPU: 5226.74, 0.00314702/step Wall: 5226.74, 0.00314702/step, 2.93582 hours remaining, 240.757812 MB of memory in use. ENERGY: 1641600 3993.4835 20460.2054 14426.4231 255.0663 -203303.9678 2601.6974 0.0000 0.0000 52045.7952 -109521.2969 299.1079 -161567.0921 -109160.8590 298.9865 -235.9024 -208.0897 763263.2573 3.4983 3.4491 PRESSURE: 1641800 -167.615 -38.8279 139.993 -38.8269 -69.9535 -70.8223 139.994 -70.8241 -19.7042 GPRESSURE: 1641800 -112.681 -84.6349 142.841 -50.7475 -111.06 -136.399 98.9375 -131.586 47.7637 PRESSAVG: 1641800 35.1791 -29.0827 8.08265 -29.0828 -27.0867 -1.57138 8.08274 -1.57134 -1.82005 GPRESSAVG: 1641800 35.317 -27.5835 9.86571 -32.1179 -26.2512 -2.87827 6.12847 -1.60494 -2.52796 TIMING: 1641800 CPU: 5227.37, 0.0031472/step Wall: 5227.37, 0.0031472/step, 2.93581 hours remaining, 240.757812 MB of memory in use. ENERGY: 1641800 4052.3255 20548.3892 14520.2790 261.9041 -203799.7229 2967.4341 0.0000 0.0000 51900.2005 -109549.1907 298.2712 -161449.3912 -109194.4968 298.9511 -85.7577 -58.6589 761761.2919 2.0908 2.1793 PRESSURE: 1642000 -10.6386 -7.60195 -62.6349 -7.60191 128.72 175.186 -62.6361 175.186 281.37 GPRESSURE: 1642000 133.327 168.135 -82.1914 -25.4883 124.08 194.85 38.8048 143.95 200.191 PRESSAVG: 1642000 -13.9569 5.99962 8.62983 5.99963 -4.4226 11.2592 8.62989 11.2592 -0.212146 GPRESSAVG: 1642000 -12.9398 3.99401 6.67954 7.40111 -5.52387 12.5348 8.69794 8.99244 -0.283485 TIMING: 1642000 CPU: 5228, 0.00313445/step Wall: 5228, 0.00313445/step, 2.92375 hours remaining, 240.757812 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: 1642000 4018.6759 20429.0161 14447.6261 252.1188 -203514.8772 2743.2003 0.0000 0.0000 51909.8176 -109714.4225 298.3264 -161624.2401 -109340.3720 298.3997 133.1505 152.5328 760747.6642 -6.1972 -6.2491 PRESSURE: 1642200 -111.724 -228.111 -139.31 -228.11 86.9615 8.47662 -139.31 8.47742 -108.026 GPRESSURE: 1642200 -97.6242 -234.229 -93.2581 -172.919 108.3 27.0074 -128.469 -17.4507 -68.9641 PRESSAVG: 1642200 13.0112 -19.7367 2.89793 -19.7367 19.8872 -49.7713 2.89797 -49.7714 -27.4096 GPRESSAVG: 1642200 11.7529 -17.8298 5.5914 -19.8657 20.528 -49.2252 2.15166 -49.8716 -27.6541 TIMING: 1642200 CPU: 5228.62, 0.00313641/step Wall: 5228.62, 0.00313641/step, 2.9254 hours remaining, 240.757812 MB of memory in use. ENERGY: 1642200 4016.1837 20464.1161 14413.0553 217.0883 -203498.5182 2540.3351 0.0000 0.0000 51934.4989 -109913.2409 298.4683 -161847.7398 -109550.2971 298.0492 -44.2626 -19.4294 758683.4559 1.8296 1.5423 PRESSURE: 1642400 -82.1102 88.0452 -317.788 88.0435 146.797 113.264 -317.788 113.265 -187.667 GPRESSURE: 1642400 -104.312 67.426 -325.642 73.1926 277.605 53.7321 -295.36 225.562 -209.228 PRESSAVG: 1642400 64.8886 -51.2833 -28.7022 -51.2833 -9.2471 -15.4173 -28.7023 -15.4173 5.62889 GPRESSAVG: 1642400 64.359 -51.4881 -28.9329 -51.8008 -9.29227 -17.3165 -26.535 -12.5966 7.09224 TIMING: 1642400 CPU: 5229.25, 0.00314367/step Wall: 5229.25, 0.00314367/step, 2.93199 hours remaining, 240.757812 MB of memory in use. ENERGY: 1642400 3956.1524 20503.9069 14396.7859 248.7474 -203506.2855 2664.1900 0.0000 0.0000 52072.2119 -109664.2911 299.2597 -161736.5030 -109297.0112 298.1966 -40.9934 -11.9780 761066.5819 20.4235 20.7196 PRESSURE: 1642600 -120.834 140.031 188.796 140.031 1.34051 277.744 188.796 277.744 -231.123 GPRESSURE: 1642600 -97.2708 175.95 221.272 23.5246 52.332 213.801 111.671 245.852 -228.983 PRESSAVG: 1642600 -0.482306 -6.56313 12.3882 -6.5632 34.3209 26.167 12.3881 26.167 -13.6182 GPRESSAVG: 1642600 0.919259 -7.25844 10.5132 -5.75135 32.8324 26.9418 12.8756 26.1255 -13.6813 TIMING: 1642600 CPU: 5229.88, 0.00314462/step Wall: 5229.88, 0.00314462/step, 2.9327 hours remaining, 241.011719 MB of memory in use. ENERGY: 1642600 3991.0109 20423.4358 14503.1035 250.9332 -203302.3891 2453.8563 0.0000 0.0000 51993.1150 -109686.9345 298.8051 -161680.0495 -109319.0859 298.7374 -116.8723 -91.3072 760309.1216 6.7401 6.6901 PRESSURE: 1642800 -112.601 -207.885 -42.2603 -207.884 -238.435 198.519 -42.2611 198.52 -331.409 GPRESSURE: 1642800 -160.122 -40.5488 -73.5084 -167.99 -173.918 163.113 -103.352 134.411 -268.361 PRESSAVG: 1642800 10.3718 16.6261 -44.1943 16.6261 8.87885 -25.3652 -44.1944 -25.3652 1.11542 GPRESSAVG: 1642800 9.19481 18.7049 -43.6434 16.1874 10.4209 -22.9123 -44.8385 -29.0204 0.210182 TIMING: 1642800 CPU: 5230.51, 0.00314358/step Wall: 5230.51, 0.00314358/step, 2.93157 hours remaining, 241.011719 MB of memory in use. ENERGY: 1642800 3881.5374 20448.9230 14490.8494 252.9262 -203028.8793 2291.6252 0.0000 0.0000 52032.3222 -109630.6959 299.0305 -161663.0181 -109263.9661 298.5235 -227.4816 -200.8001 760966.5831 6.7887 6.6086 PRESSURE: 1643000 -18.7934 68.5387 -64.54 68.5385 -446.821 127.047 -64.54 127.046 28.7371 GPRESSURE: 1643000 -11.4697 -69.642 -25.1735 79.8956 -382.874 148.456 98.772 41.6934 31.9548 PRESSAVG: 1643000 -43.1406 11.1449 1.79687 11.1449 -2.30979 -7.59492 1.7969 -7.59496 8.66751 GPRESSAVG: 1643000 -43.5166 8.3944 1.6858 11.1707 -2.91973 -11.2744 2.3221 -4.52058 9.39804 TIMING: 1643000 CPU: 5231.14, 0.00314251/step Wall: 5231.14, 0.00314251/step, 2.93039 hours remaining, 241.011719 MB of memory in use. ENERGY: 1643000 3959.3296 20560.4078 14525.4143 249.8864 -203431.5457 2614.8738 0.0000 0.0000 52015.5094 -109506.1245 298.9338 -161521.6339 -109149.6009 298.7904 -145.6257 -120.7962 760789.9499 -12.2610 -12.3461 PRESSURE: 1643200 -174.812 62.7686 -166.454 62.7684 -259.7 104.438 -166.455 104.437 -94.6776 GPRESSURE: 1643200 -155.294 90.6641 -151.907 173.434 -211.051 122.793 -77.6647 96.9193 -81.9104 PRESSAVG: 1643200 56.7774 -5.76367 23.1831 -5.76372 -18.237 6.04219 23.1832 6.0421 13.4615 GPRESSAVG: 1643200 57.2873 -4.08579 23.3712 -4.94138 -18.5316 8.96346 23.5253 4.7695 13.8463 TIMING: 1643200 CPU: 5231.77, 0.0031524/step Wall: 5231.77, 0.0031524/step, 2.93944 hours remaining, 241.011719 MB of memory in use. ENERGY: 1643200 4058.3681 20469.8920 14536.7220 270.7327 -203346.9502 2568.7077 0.0000 0.0000 51975.0526 -109467.4750 298.7013 -161442.5277 -109114.6668 298.8629 -176.3968 -149.4184 761994.1893 17.3340 17.5340 PRESSURE: 1643400 -152.91 -125.698 -102.849 -125.697 102.102 69.8416 -102.849 69.8423 -209.652 GPRESSURE: 1643400 -93.987 -137.068 3.13794 -91.6224 71.4189 108.321 -17.0393 85.5431 -153.243 PRESSAVG: 1643400 -24.2426 -17.5711 -26.4421 -17.5711 16.4155 61.1518 -26.4421 61.1518 3.79414 GPRESSAVG: 1643400 -23.6082 -18.2904 -26.8313 -17.2591 16.3745 59.224 -26.1647 62.6149 3.27605 TIMING: 1643400 CPU: 5232.4, 0.0031672/step Wall: 5232.4, 0.0031672/step, 2.95306 hours remaining, 241.011719 MB of memory in use. ENERGY: 1643400 4014.8334 20394.8828 14558.3184 262.3523 -203285.5403 2435.5811 0.0000 0.0000 52098.6616 -109520.9107 299.4117 -161619.5723 -109154.2780 299.2640 -86.8201 -58.6037 759698.9110 -1.3443 -1.3192 PRESSURE: 1643600 347.783 214.885 115.251 214.885 -41.7935 14.5617 115.251 14.5613 96.2327 GPRESSURE: 1643600 304.747 -48.0776 82.2554 237.979 35.8233 70.8463 -65.2069 -100.523 141.761 PRESSAVG: 1643600 15.1932 -6.73248 13.268 -6.73245 5.74375 -21.1521 13.2681 -21.1521 27.4342 GPRESSAVG: 1643600 15.2983 -5.85384 15.5386 -7.01439 5.63804 -20.7567 10.5227 -21.5778 27.6976 TIMING: 1643600 CPU: 5233.03, 0.00315405/step Wall: 5233.03, 0.00315405/step, 2.94062 hours remaining, 241.011719 MB of memory in use. ENERGY: 1643600 3914.3185 20373.1086 14455.3331 256.8093 -203095.5984 2458.5105 0.0000 0.0000 52076.3754 -109561.1430 299.2836 -161637.5185 -109202.1826 299.2488 134.0740 160.7772 759631.8552 16.1237 16.2113 PRESSURE: 1643800 2.10715 -71.8648 -99.2697 -71.8662 -390.454 89.1588 -99.2695 89.1586 -190.279 GPRESSURE: 1643800 0.497625 -44.2735 -142.001 -11.6421 -297.812 106.441 40.7259 46.6072 -212.121 PRESSAVG: 1643800 46.7794 -71.469 18.6848 -71.469 -97.8297 3.23214 18.6848 3.2321 -10.7658 GPRESSAVG: 1643800 46.5979 -73.5628 17.1771 -73.8178 -97.0622 4.04488 20.8977 0.0112608 -11.294 TIMING: 1643800 CPU: 5233.67, 0.00317392/step Wall: 5233.67, 0.00317392/step, 2.95898 hours remaining, 241.011719 MB of memory in use. ENERGY: 1643800 3998.1976 20419.8416 14416.1004 246.9362 -203305.0893 2512.5915 0.0000 0.0000 52146.5889 -109564.8331 299.6872 -161711.4220 -109199.0467 298.7825 -192.8753 -169.8118 760753.7669 -20.6053 -20.5861 PRESSURE: 1644000 -264.723 85.7415 86.7498 85.7422 70.7685 331.504 86.7501 331.504 596.792 GPRESSURE: 1644000 -220.756 127.953 144.789 123.859 72.5227 278.63 38.7167 286.028 627.544 PRESSAVG: 1644000 109.292 -5.01012 -36.6496 -5.01011 -75.1577 46.803 -36.6496 46.803 -7.89588 GPRESSAVG: 1644000 108.277 -3.50401 -36.5895 -0.11677 -74.9145 44.774 -36.6457 49.0293 -7.5251 TIMING: 1644000 CPU: 5234.3, 0.00317734/step Wall: 5234.3, 0.00317734/step, 2.96199 hours remaining, 241.082031 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: 1644000 4000.6617 20495.1819 14455.4925 239.0219 -203824.3794 2908.5389 0.0000 0.0000 52218.6958 -109506.7868 300.1016 -161725.4826 -109148.1549 299.3931 134.2791 159.7702 760005.1842 8.7460 8.6123 PRESSURE: 1644200 -136.52 -64.0285 233.923 -64.0292 200.934 -70.1806 233.922 -70.1809 -91.3338 GPRESSURE: 1644200 -19.1542 -51.5552 227.147 -25.2953 139.346 -20.8786 204.048 -66.245 -80.3126 PRESSAVG: 1644200 4.26745 -29.9146 13.6245 -29.9146 -36.7247 10.4593 13.6245 10.4594 -4.12598 GPRESSAVG: 1644200 6.5807 -32.1835 13.9279 -31.6188 -38.7728 10.5088 12.8359 9.7498 -4.53009 TIMING: 1644200 CPU: 5234.94, 0.00316353/step Wall: 5234.94, 0.00316353/step, 2.94893 hours remaining, 241.011719 MB of memory in use. ENERGY: 1644200 4055.6920 20490.1747 14508.4696 267.2943 -203488.7110 2778.6513 0.0000 0.0000 51965.6439 -109422.7852 298.6473 -161388.4291 -109062.9682 299.6023 -8.9732 13.2932 760763.4983 -12.1944 -12.2407 LDB: ============= START OF LOAD BALANCING ============== 5247.39 LDB: ============== END OF LOAD BALANCING =============== 5247.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5247.39 LDB: ============= START OF LOAD BALANCING ============== 5247.71 LDB: Largest compute 7059 load 0.036051 is 18.5% of average load 0.195247 LDB: Average compute 0.004430 is 2.3% of average load 0.195247 LDB: TIME 5247.71 LOAD: AVG 0.195247 MAX 0.214442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.48 MB LDB: TIME 5247.71 LOAD: AVG 0.195247 MAX 0.214442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.688 MB LDB: TIME 5247.71 LOAD: AVG 0.195247 MAX 0.214442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.688 MB LDB: ============== END OF LOAD BALANCING =============== 5247.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5247.72 PRESSURE: 1644400 57.7168 192.789 -369.529 192.789 -123.413 34.9049 -369.529 34.9047 -344.507 GPRESSURE: 1644400 -56.0444 135.833 -270.842 94.8398 31.0526 25.239 -300.914 39.6454 -319.051 PRESSAVG: 1644400 35.4732 16.7708 -18.2271 16.7708 -37.5476 34.8091 -18.2271 34.8091 9.15929 GPRESSAVG: 1644400 34.1802 17.8959 -18.0544 15.0094 -36.0973 35.3097 -16.0487 35.2021 9.07373 TIMING: 1644400 CPU: 5235.58, 0.00322542/step Wall: 5235.58, 0.00322542/step, 3.00645 hours remaining, 241.210938 MB of memory in use. ENERGY: 1644400 3926.9263 20432.8593 14463.8943 265.8559 -203617.8137 2570.9383 0.0000 0.0000 52469.2541 -109488.0855 301.5415 -161957.3395 -109127.1175 299.4289 -136.7344 -114.6811 761074.2468 2.3616 2.3856 PRESSURE: 1644600 -41.678 -182.466 -223.361 -182.467 -54.007 33.075 -223.36 33.075 -422.085 GPRESSURE: 1644600 -25.965 -232.691 -274.211 -68.1947 -55.3581 86.4383 -254.349 24.4819 -353.405 PRESSAVG: 1644600 75.8726 -9.76367 -19.6189 -9.76365 -37.2731 0.480094 -19.6189 0.48013 -24.7209 GPRESSAVG: 1644600 75.6185 -9.82373 -19.1855 -8.29258 -39.5467 2.11263 -22.3279 -3.52217 -22.0825 TIMING: 1644600 CPU: 5236.21, 0.003142/step Wall: 5236.21, 0.003142/step, 2.92852 hours remaining, 241.414062 MB of memory in use. ENERGY: 1644600 3900.6578 20462.4548 14436.3133 259.0152 -203790.9690 2782.7546 0.0000 0.0000 52332.4968 -109617.2765 300.7556 -161949.7733 -109259.8052 299.6833 -172.5901 -144.9094 761676.3469 4.6262 4.6631 PRESSURE: 1644800 203.915 110.46 211.766 110.459 114.103 85.8063 211.766 85.8057 -0.553887 GPRESSURE: 1644800 199.709 -57.6948 194.42 165.299 223.76 111.806 207.356 76.5029 -3.55387 PRESSAVG: 1644800 -20.7637 -52.0534 1.36558 -52.0533 23.7658 -35.3274 1.36548 -35.3274 36.8216 GPRESSAVG: 1644800 -21.9861 -52.9593 -0.853026 -52.7314 25.5994 -36.5173 2.49254 -33.3887 36.3355 TIMING: 1644800 CPU: 5236.84, 0.00315571/step Wall: 5236.84, 0.00315571/step, 2.94112 hours remaining, 241.414062 MB of memory in use. ENERGY: 1644800 3953.9271 20359.0366 14464.7619 257.0555 -203340.1472 2761.6580 0.0000 0.0000 52007.1459 -109536.5622 298.8858 -161543.7081 -109179.3318 298.8804 105.8213 139.9718 759223.0696 13.2746 13.3162 PRESSURE: 1645000 -544.986 -24.769 -3.07904 -24.7688 -311.323 345.699 -3.07875 345.7 -401.024 GPRESSURE: 1645000 -470.808 -24.259 43.1031 53.8308 -317.394 289.61 -60.3551 315.024 -397.355 PRESSAVG: 1645000 15.5687 -27.7627 14.9366 -27.7627 -24.0557 -2.23417 14.9366 -2.23409 9.26092 GPRESSAVG: 1645000 16.0827 -26.3297 16.6383 -28.5306 -24.6842 -3.15352 13.6143 -0.151292 8.99155 TIMING: 1645000 CPU: 5237.47, 0.0031573/step Wall: 5237.47, 0.0031573/step, 2.94243 hours remaining, 241.414062 MB of memory in use. ENERGY: 1645000 3990.5307 20428.4158 14486.6204 258.2597 -203115.5576 2239.2692 0.0000 0.0000 52049.4407 -109663.0211 299.1289 -161712.4618 -109301.6392 299.2275 -419.1112 -395.1855 762661.8453 0.2580 0.1300 PRESSURE: 1645200 -49.2161 38.3392 8.65369 38.3399 58.8221 104.82 8.65346 104.82 -5.28746 GPRESSURE: 1645200 -0.697219 -109.569 25.7894 66.3016 57.5239 60.8734 -23.2204 58.2944 33.306 PRESSAVG: 1645200 100.159 -20.8152 56.754 -20.8151 -78.1764 19.3652 56.754 19.3653 -25.0241 GPRESSAVG: 1645200 100.678 -20.9614 56.8591 -18.8206 -78.4313 20.4891 54.8577 18.8777 -25.1376 TIMING: 1645200 CPU: 5238.1, 0.00314949/step Wall: 5238.1, 0.00314949/step, 2.93497 hours remaining, 241.414062 MB of memory in use. ENERGY: 1645200 3967.0357 20439.1220 14497.6755 246.0068 -203657.0309 2564.4686 0.0000 0.0000 52244.8078 -109697.9145 300.2516 -161942.7222 -109336.2270 299.2449 1.4395 30.0442 761097.3598 -1.0139 -0.9636 PRESSURE: 1645400 446.181 -40.482 63.3605 -40.482 318.198 -30.1536 63.3598 -30.1527 170.317 GPRESSURE: 1645400 405.575 -69.5303 13.5484 -128.185 404.332 -17.7365 -22.4153 51.8192 203.233 PRESSAVG: 1645400 84.2359 -65.0009 -22.2117 -65.0008 -51.6442 53.3451 -22.2117 53.3451 -6.25349 GPRESSAVG: 1645400 84.0182 -64.8164 -23.1836 -66.7848 -50.5966 53.0223 -20.072 53.0083 -7.2369 TIMING: 1645400 CPU: 5238.73, 0.00314822/step Wall: 5238.73, 0.00314822/step, 2.93361 hours remaining, 241.414062 MB of memory in use. ENERGY: 1645400 3940.8734 20468.6803 14544.2078 252.7438 -203349.3003 2567.4584 0.0000 0.0000 52102.9430 -109472.3937 299.4363 -161575.3367 -109109.1474 299.0960 311.5653 337.7131 760532.0107 8.7794 8.7282 PRESSURE: 1645600 -218.54 -132.519 88.9525 -132.519 -309.607 -39.0073 88.9521 -39.0085 150.812 GPRESSURE: 1645600 -131.249 -58.5009 171.238 -77.2415 -202.89 -91.2178 89.8065 10.3 31.5136 PRESSAVG: 1645600 49.2537 -50.3237 -28.5748 -50.3237 -38.3265 43.4276 -28.5748 43.4275 14.3711 GPRESSAVG: 1645600 50.5327 -51.0895 -27.8481 -49.7314 -40.2223 42.9621 -26.2845 45.4401 15.7334 TIMING: 1645600 CPU: 5239.36, 0.00314324/step Wall: 5239.36, 0.00314324/step, 2.9288 hours remaining, 241.414062 MB of memory in use. ENERGY: 1645600 3988.7727 20497.5266 14467.4774 235.4521 -203146.0361 2188.3991 0.0000 0.0000 52259.6423 -109508.7659 300.3369 -161768.4082 -109138.0556 298.7233 -125.7782 -100.8754 760967.0783 8.4328 8.6813 PRESSURE: 1645800 141.737 66.6167 39.8852 66.6162 -131.995 126.393 39.885 126.393 54.1156 GPRESSURE: 1645800 145.039 -32.2795 -43.9626 -50.7331 -25.0332 132.227 67.0783 158.057 23.0007 PRESSAVG: 1645800 69.1246 -10.2727 25.1886 -10.2727 -60.4721 34.9059 25.1886 34.9059 24.0594 GPRESSAVG: 1645800 68.4407 -9.42448 24.978 -10.1488 -58.4805 36.1873 22.4643 31.4522 22.6878 TIMING: 1645800 CPU: 5239.99, 0.00312281/step Wall: 5239.99, 0.00312281/step, 2.90959 hours remaining, 241.414062 MB of memory in use. ENERGY: 1645800 3953.0294 20589.4065 14413.9902 254.2868 -203612.3601 2780.2126 0.0000 0.0000 52316.7584 -109304.6760 300.6651 -161621.4345 -108933.3474 299.5117 21.2857 47.6688 760207.4714 10.9040 10.8826 PRESSURE: 1646000 298.218 132.926 -210.889 132.927 -226.486 62.5239 -210.887 62.5236 -50.7689 GPRESSURE: 1646000 204.697 129.455 -197.495 68.5849 -141.481 29.3919 -186.6 25.9714 63.286 PRESSAVG: 1646000 106.09 -35.2862 -31.1152 -35.2861 -52.6114 58.7227 -31.1152 58.7227 10.2928 GPRESSAVG: 1646000 105.893 -34.4319 -31.7975 -36.9391 -54.1603 55.677 -31.2149 61.9145 11.4856 TIMING: 1646000 CPU: 5240.61, 0.00313181/step Wall: 5240.61, 0.00313181/step, 2.91781 hours remaining, 241.414062 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: 1646000 3945.3896 20375.2084 14474.7421 241.2700 -202848.5820 2333.3711 0.0000 0.0000 52228.7712 -109249.8296 300.1595 -161478.6008 -108875.6010 299.9089 6.9876 42.1673 761827.3523 21.2571 21.0726 PRESSURE: 1646200 -208.254 -144.194 -21.2293 -144.193 -301.412 95.4686 -21.2299 95.4683 -331.465 GPRESSURE: 1646200 -80.5985 -138.511 42.2734 -149.324 -322.47 106.914 -70.6689 -39.1415 -337.264 PRESSAVG: 1646200 21.5297 -24.0192 9.25569 -24.0192 -72.2082 56.0817 9.25572 56.0817 -6.87905 GPRESSAVG: 1646200 22.1993 -26.1493 8.90402 -21.9473 -71.9251 57.8697 10.1639 53.3256 -7.30516 TIMING: 1646200 CPU: 5241.24, 0.00313845/step Wall: 5241.24, 0.00313845/step, 2.92382 hours remaining, 241.414062 MB of memory in use. ENERGY: 1646200 4132.3344 20566.2537 14455.0790 268.9652 -203195.8810 2510.1029 0.0000 0.0000 52108.5202 -109154.6257 299.4684 -161263.1458 -108780.4203 300.4924 -280.3770 -246.7776 761302.5953 -19.1858 -19.0103 PRESSURE: 1646400 -62.3333 -11.3909 -136.067 -11.391 -377.65 -95.2722 -136.067 -95.2725 160.045 GPRESSURE: 1646400 -1.46131 -194.159 -142.361 3.17909 -323.817 -23.4271 -81.867 -137.282 125.462 PRESSAVG: 1646400 13.1793 -42.9579 7.56321 -42.9578 -50.0061 -1.029 7.56328 -1.02905 -12.9299 GPRESSAVG: 1646400 12.1344 -43.8435 9.39787 -41.9803 -50.0021 0.971255 6.28108 -1.55436 -12.3407 TIMING: 1646400 CPU: 5241.87, 0.00314342/step Wall: 5241.87, 0.00314342/step, 2.92827 hours remaining, 241.414062 MB of memory in use. ENERGY: 1646400 3995.8515 20508.9841 14441.3884 246.1924 -202636.9492 2190.3634 0.0000 0.0000 52232.5920 -109021.5776 300.1814 -161254.1696 -108656.6559 300.0788 -93.3125 -66.6053 761414.6291 -16.5856 -16.7361 PRESSURE: 1646600 -390.566 150.809 119.84 150.808 58.6431 -116.813 119.841 -116.812 18.6771 GPRESSURE: 1646600 -355.17 140.288 105.629 118.484 -3.74651 -35.6395 113.643 -121.104 122.722 PRESSAVG: 1646600 29.8118 4.58463 30.9976 4.58461 6.01345 -10.5187 30.9976 -10.5187 18.195 GPRESSAVG: 1646600 30.401 3.96915 30.0451 2.52647 5.8713 -11.9905 31.9039 -9.15442 17.3809 TIMING: 1646600 CPU: 5242.49, 0.00313334/step Wall: 5242.49, 0.00313334/step, 2.91871 hours remaining, 241.414062 MB of memory in use. ENERGY: 1646600 3943.4852 20647.4978 14489.3033 254.4069 -202774.8581 2172.3770 0.0000 0.0000 52416.1376 -108851.6503 301.2363 -161267.7879 -108478.8219 300.8047 -104.4151 -78.7313 760841.5839 18.0067 17.8844 PRESSURE: 1646800 189.42 93.5142 28.853 93.514 192.452 7.69412 28.8527 7.69372 102.919 GPRESSURE: 1646800 224.917 43.8229 60.5623 167.621 159.889 -81.1955 95.9399 20.5325 173.475 PRESSAVG: 1646800 50.2419 -10.5816 -10.1484 -10.5816 -61.3638 2.63645 -10.1485 2.63647 22.3985 GPRESSAVG: 1646800 50.8234 -9.04343 -9.64085 -8.12982 -61.8585 2.08041 -9.34354 1.52868 22.5169 TIMING: 1646800 CPU: 5243.12, 0.00314855/step Wall: 5243.12, 0.00314855/step, 2.9327 hours remaining, 241.414062 MB of memory in use. ENERGY: 1646800 3937.0471 20476.5838 14474.1949 245.0263 -203068.8532 2390.7840 0.0000 0.0000 52462.4058 -109082.8113 301.5022 -161545.2171 -108707.6058 300.2195 161.5970 186.0937 760939.8382 3.7589 3.8273 PRESSURE: 1647000 2.73431 -102.238 103.577 -102.239 27.5618 7.27595 103.577 7.27691 -219.459 GPRESSURE: 1647000 50.3135 -37.1931 53.3116 -129.725 -0.412668 -39.6102 94.05 67.2202 -162.299 PRESSAVG: 1647000 48.293 -49.3006 21.0953 -49.3005 -68.5848 40.7788 21.0952 40.7788 -7.12906 GPRESSAVG: 1647000 48.7867 -49.6971 20.5285 -49.6564 -68.8501 40.9045 21.542 41.4923 -7.1183 TIMING: 1647000 CPU: 5243.75, 0.00315266/step Wall: 5243.75, 0.00315266/step, 2.93635 hours remaining, 241.414062 MB of memory in use. ENERGY: 1647000 3935.4536 20387.0298 14467.9729 227.9254 -202865.3931 2397.8218 0.0000 0.0000 52427.6219 -109021.5676 301.3023 -161449.1895 -108658.9292 299.8826 -63.0542 -37.4659 761764.4499 -9.1403 -9.0606 PRESSURE: 1647200 -74.8517 -54.6207 30.8749 -54.6201 -190.586 -76.4042 30.8755 -76.4052 -29.2841 GPRESSURE: 1647200 -30.2243 -14.4579 48.7775 -57.7385 -195.842 25.99 23.887 -1.92137 20.7706 PRESSAVG: 1647200 25.0791 -13.0945 14.8951 -13.0946 6.23818 -14.8889 14.8951 -14.8889 5.75433 GPRESSAVG: 1647200 23.588 -13.1197 16.716 -13.5513 7.68995 -14.2486 13.1558 -14.8877 5.82877 TIMING: 1647200 CPU: 5244.38, 0.00314147/step Wall: 5244.38, 0.00314147/step, 2.92576 hours remaining, 241.414062 MB of memory in use. ENERGY: 1647200 4000.2902 20420.7956 14491.7553 245.3180 -203429.8903 2739.1983 0.0000 0.0000 52233.8563 -109298.6766 300.1887 -161532.5329 -108931.5305 299.4930 -98.2405 -68.4317 760823.9326 12.3572 12.3689 PRESSURE: 1647400 -110.272 -281.864 -0.547969 -281.864 257.795 16.2208 -0.548306 16.2207 474.226 GPRESSURE: 1647400 -134.706 -181.179 13.7869 -161.506 339.882 64.096 3.67319 -50.0258 497.605 PRESSAVG: 1647400 50.3109 1.91099 -5.38757 1.91102 -9.77096 -7.03946 -5.38753 -7.03943 0.25912 GPRESSAVG: 1647400 50.9119 3.72116 -7.0273 1.33852 -10.8824 -7.51689 -3.47662 -7.80998 0.780867 TIMING: 1647400 CPU: 5245.01, 0.00313491/step Wall: 5245.01, 0.00313491/step, 2.91947 hours remaining, 241.414062 MB of memory in use. ENERGY: 1647400 3920.6872 20592.8622 14503.5896 232.5332 -203086.9370 2465.9588 0.0000 0.0000 52084.3879 -109286.9181 299.3297 -161371.3061 -108917.4008 298.9506 207.2498 234.2604 762456.7614 13.5997 13.6035 PRESSURE: 1647600 228.829 65.5299 58.6974 65.5293 149.168 -144.108 58.6989 -144.107 33.8387 GPRESSURE: 1647600 373.818 52.5818 32.8319 -20.7036 74.8954 -125.111 43.0156 -167.138 57.3571 PRESSAVG: 1647600 -7.21124 15.6984 -34.2337 15.6985 -15.3837 11.2198 -34.2337 11.2197 7.44226 GPRESSAVG: 1647600 -6.20171 14.334 -32.5795 15.2503 -15.3652 10.7926 -36.0594 11.2041 6.82301 TIMING: 1647600 CPU: 5245.63, 0.00312246/step Wall: 5245.63, 0.00312246/step, 2.90771 hours remaining, 241.414062 MB of memory in use. ENERGY: 1647600 4000.6601 20527.0671 14429.5410 245.1250 -203220.9230 2715.7243 0.0000 0.0000 51995.3355 -109307.4701 298.8179 -161302.8056 -108943.2720 299.5583 137.2783 168.6900 761133.0595 -5.0509 -4.9146 PRESSURE: 1647800 -145.039 -63.4077 145.278 -63.4092 -521.213 21.4705 145.277 21.472 -296.555 GPRESSURE: 1647800 -219.619 -82.9559 124.449 -3.8108 -407.633 -15.8496 191.635 -40.0745 -233.808 PRESSAVG: 1647800 -39.6096 6.38655 41.3477 6.38655 -16.2826 -24.5346 41.3476 -24.5346 2.61981 GPRESSAVG: 1647800 -41.2772 5.57999 39.4493 7.26985 -15.7682 -24.1503 43.1901 -23.611 3.81532 TIMING: 1647800 CPU: 5246.26, 0.00315146/step Wall: 5246.26, 0.00315146/step, 2.93454 hours remaining, 241.414062 MB of memory in use. ENERGY: 1647800 4080.4179 20587.7761 14489.3435 238.3872 -202512.6560 2057.9099 0.0000 0.0000 51990.6913 -109068.1301 298.7912 -161058.8214 -108713.2118 299.4894 -320.9360 -287.0201 762007.0263 -17.7575 -17.7433 PRESSURE: 1648000 216.865 -107.113 -139.208 -107.113 -66.1719 137.473 -139.209 137.473 -4.85631 GPRESSURE: 1648000 196.542 -67.0022 -108.721 -248.945 -32.7832 171.268 -106.108 87.8705 58.9088 PRESSAVG: 1648000 11.8568 -12.448 -41.771 -12.448 11.9467 -2.75612 -41.771 -2.75599 -7.45405 GPRESSAVG: 1648000 12.9096 -11.1537 -40.3589 -14.9483 10.9034 -2.51733 -42.4592 -4.8547 -7.38123 TIMING: 1648000 CPU: 5246.89, 0.00314201/step Wall: 5246.89, 0.00314201/step, 2.92556 hours remaining, 241.414062 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: 1648000 4050.8490 20413.3123 14449.3019 263.4301 -203192.7754 2563.8226 0.0000 0.0000 52144.7686 -109307.2908 299.6767 -161452.0595 -108934.5765 299.0673 48.6123 74.2224 760480.4714 5.4498 5.4772 PRESSURE: 1648200 92.0554 146.438 -75.8314 146.438 -64.8341 165.2 -75.8318 165.2 124.621 GPRESSURE: 1648200 206.695 119.884 14.7932 133.394 -108.457 184.774 -114.816 195.048 136.782 PRESSAVG: 1648200 22.5662 -48.5995 -55.9034 -48.5996 -61.9495 7.98165 -55.9034 7.98171 28.1823 GPRESSAVG: 1648200 22.9983 -48.5545 -56.6632 -47.923 -61.8522 7.20794 -56.6421 10.6554 27.2708 TIMING: 1648200 CPU: 5247.52, 0.00314988/step Wall: 5247.52, 0.00314988/step, 2.93272 hours remaining, 241.414062 MB of memory in use. ENERGY: 1648200 4009.5537 20434.7882 14513.9456 226.6610 -202623.3745 2310.4064 0.0000 0.0000 51913.0284 -109214.9911 298.3449 -161128.0195 -108850.7651 299.3183 50.6141 78.3400 761739.9538 -3.7337 -3.8610 LDB: ============= START OF LOAD BALANCING ============== 5259.97 LDB: ============== END OF LOAD BALANCING =============== 5259.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5259.98 LDB: ============= START OF LOAD BALANCING ============== 5260.29 LDB: Largest compute 7059 load 0.035816 is 18.4% of average load 0.195060 LDB: Average compute 0.004435 is 2.3% of average load 0.195060 LDB: TIME 5260.3 LOAD: AVG 0.19506 MAX 0.210163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.77 MB LDB: TIME 5260.3 LOAD: AVG 0.19506 MAX 0.210163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.863 MB LDB: TIME 5260.3 LOAD: AVG 0.19506 MAX 0.210163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.863 MB LDB: ============== END OF LOAD BALANCING =============== 5260.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5260.3 PRESSURE: 1648400 114.87 -139.703 -112.628 -139.702 250.39 -15.3874 -112.628 -15.388 46.0232 GPRESSURE: 1648400 171.197 -163.216 -60.378 -150.575 251.128 1.60094 -91.7294 -86.451 54.481 PRESSAVG: 1648400 32.6573 -50.6464 16.7441 -50.6464 -23.5497 40.6289 16.7442 40.629 5.64324 GPRESSAVG: 1648400 33.1416 -50.7252 16.6688 -50.7685 -24.1525 42.2225 16.6063 39.1404 6.06509 TIMING: 1648400 CPU: 5248.17, 0.00322289/step Wall: 5248.17, 0.00322289/step, 3.00051 hours remaining, 240.699219 MB of memory in use. ENERGY: 1648400 3960.3740 20650.4398 14436.0700 239.5904 -203109.4432 2667.1009 0.0000 0.0000 52003.0378 -109152.8303 298.8622 -161155.8681 -108793.7860 299.2066 137.0945 158.9354 760508.2460 4.9169 5.0181 PRESSURE: 1648600 181.022 217.932 171.131 217.931 145.603 104.289 171.131 104.288 309.33 GPRESSURE: 1648600 312.097 107.805 244.508 159.49 98.7435 55.6286 182.618 176.598 313.448 PRESSAVG: 1648600 31.081 -35.7298 12.0809 -35.7297 -10.0811 31.7014 12.0809 31.7013 2.17477 GPRESSAVG: 1648600 32.0167 -36.6412 10.6029 -33.8706 -10.6086 31.0614 15.9625 32.5344 1.89278 TIMING: 1648600 CPU: 5248.8, 0.00317605/step Wall: 5248.8, 0.00317605/step, 2.95672 hours remaining, 240.769531 MB of memory in use. ENERGY: 1648600 3947.1786 20526.0136 14487.2527 259.5153 -203105.9942 2752.2053 0.0000 0.0000 52177.2649 -108956.5638 299.8635 -161133.8287 -108608.2418 299.6335 211.9851 241.4292 759968.9938 7.7249 7.7670 PRESSURE: 1648800 -288.205 -115.155 -282.119 -115.155 -49.2402 70.0477 -282.119 70.0486 92.7942 GPRESSURE: 1648800 -161.325 -71.9367 -271.594 -240.948 -51.5416 72.1745 -165.125 98.2061 55.1903 PRESSAVG: 1648800 67.6617 -11.056 -30.1138 -11.0561 -72.8344 -13.6382 -30.1139 -13.6383 25.238 GPRESSAVG: 1648800 66.6494 -9.55829 -29.5022 -12.0034 -71.9677 -14.1176 -31.6392 -12.4623 25.0915 TIMING: 1648800 CPU: 5249.43, 0.00315899/step Wall: 5249.43, 0.00315899/step, 2.94067 hours remaining, 240.769531 MB of memory in use. ENERGY: 1648800 4028.7332 20568.7767 14516.8427 224.4941 -202979.4279 2607.2860 0.0000 0.0000 51985.9909 -109047.3044 298.7642 -161033.2953 -108690.6195 299.8701 -81.5505 -52.5589 760752.4799 6.6884 6.5911 PRESSURE: 1649000 -146.263 94.1769 -163.707 94.1764 -323.056 121.214 -163.708 121.213 85.196 GPRESSURE: 1649000 -156.803 27.188 -161.906 106.038 -232.559 151.992 -137.576 36.5774 72.6044 PRESSAVG: 1649000 -14.5213 -22.4987 -22.6656 -22.4987 -14.4107 -13.4037 -22.6657 -13.4036 32.762 GPRESSAVG: 1649000 -16.4451 -22.2502 -21.9173 -22.025 -12.328 -12.1705 -24.3343 -14.1089 32.9357 TIMING: 1649000 CPU: 5250.07, 0.00315818/step Wall: 5250.07, 0.00315818/step, 2.93974 hours remaining, 240.769531 MB of memory in use. ENERGY: 1649000 3968.7148 20404.3026 14511.3948 237.1833 -202467.5066 2258.4112 0.0000 0.0000 52197.1442 -108890.3557 299.9777 -161087.4999 -108512.2743 299.7305 -128.0411 -105.5856 762733.6815 1.2767 1.3875 PRESSURE: 1649200 -150.961 171.015 666.169 171.015 -187.685 -55.0245 666.168 -55.0248 -144.963 GPRESSURE: 1649200 -183.308 60.9461 619.097 93.4616 -87.1331 -42.2011 567.029 -65.4758 -108.755 PRESSAVG: 1649200 77.5114 -11.5346 47.1125 -11.5346 -52.9693 -11.8186 47.1125 -11.8186 7.1655 GPRESSAVG: 1649200 77.8547 -14.1469 47.4694 -12.2487 -53.9666 -14.4416 47.8924 -11.4978 8.29209 TIMING: 1649200 CPU: 5250.7, 0.00315144/step Wall: 5250.7, 0.00315144/step, 2.93329 hours remaining, 240.769531 MB of memory in use. ENERGY: 1649200 3989.3017 20466.3418 14470.2727 240.5258 -203138.0445 2665.6122 0.0000 0.0000 52222.4183 -109083.5720 300.1230 -161305.9903 -108728.7688 299.8480 -161.2031 -126.3988 761557.5772 10.5692 10.7267 PRESSURE: 1649400 219.151 -26.9954 196.259 -26.9953 31.1666 -210.864 196.258 -210.865 30.6677 GPRESSURE: 1649400 205.403 -29.207 226.958 -79.7258 97.2095 -158.743 125.295 -162.075 55.6804 PRESSAVG: 1649400 3.02383 -18.0664 27.6749 -18.0664 -1.50154 -29.6172 27.6749 -29.6172 2.02841 GPRESSAVG: 1649400 2.59486 -16.9321 27.3369 -17.9573 -0.593328 -29.3594 25.795 -29.0797 1.76178 TIMING: 1649400 CPU: 5251.33, 0.00315182/step Wall: 5251.33, 0.00315182/step, 2.93347 hours remaining, 240.769531 MB of memory in use. ENERGY: 1649400 3923.4768 20618.9361 14597.1272 250.3225 -203288.7355 2677.5887 0.0000 0.0000 52089.1356 -109132.1485 299.3570 -161221.2842 -108770.5478 299.8150 93.6619 119.4311 761551.8294 1.1836 1.2544 PRESSURE: 1649600 -349.85 -102.628 -402.117 -102.628 -167.335 55.5978 -402.117 55.5984 -19.8994 GPRESSURE: 1649600 -340.948 -28.2517 -425.93 -32.8239 -152.606 107.685 -277.657 74.4104 36.2981 PRESSAVG: 1649600 85.7925 -26.8849 -51.9552 -26.8849 -71.5026 -24.8973 -51.9552 -24.8974 37.0804 GPRESSAVG: 1649600 86.6997 -26.9728 -52.2619 -26.2786 -71.622 -23.3608 -47.2109 -24.1623 36.6089 TIMING: 1649600 CPU: 5251.95, 0.00313845/step Wall: 5251.95, 0.00313845/step, 2.92085 hours remaining, 240.769531 MB of memory in use. ENERGY: 1649600 4007.3443 20689.1429 14491.4515 259.4827 -203308.2347 2469.0982 0.0000 0.0000 52163.9414 -109227.7737 299.7869 -161391.7152 -108855.8294 300.0851 -179.0282 -152.4186 761038.8106 17.1235 17.2289 PRESSURE: 1649800 -192.45 16.0706 -323.485 16.0712 -472.903 59.4216 -323.484 59.4215 -202.605 GPRESSURE: 1649800 -199.665 -5.77658 -210.948 -30.6768 -482.035 84.6191 -284.571 12.3619 -88.6234 PRESSAVG: 1649800 77.2136 -41.0817 -31.1651 -41.0817 -40.8143 4.75439 -31.1651 4.75449 -38.1934 GPRESSAVG: 1649800 77.5569 -41.9227 -30.287 -40.1117 -42.204 5.20245 -33.8552 4.56699 -36.8938 TIMING: 1649800 CPU: 5252.58, 0.00314143/step Wall: 5252.58, 0.00314143/step, 2.92345 hours remaining, 240.769531 MB of memory in use. ENERGY: 1649800 3998.4998 20680.6710 14501.0006 258.9936 -202811.5217 2458.5495 0.0000 0.0000 51967.6608 -108946.1465 298.6589 -160913.8072 -108584.3903 299.7202 -289.3191 -256.7743 762031.6861 -0.5980 -0.5136 PRESSURE: 1650000 -191.696 82.0427 115.263 82.043 204.705 38.9505 115.263 38.9505 -201.732 GPRESSURE: 1650000 -92.1771 91.6226 132.321 82.8573 195.355 -15.86 57.5283 -52.9233 -199.275 PRESSAVG: 1650000 22.412 -29.1875 -11.1089 -29.1875 -19.7328 30.3533 -11.1089 30.3533 13.3282 GPRESSAVG: 1650000 21.9797 -28.5158 -10.6867 -31.6577 -18.1229 29.8492 -11.5375 29.7706 12.1023 TIMING: 1650000 CPU: 5253.22, 0.00316033/step Wall: 5253.22, 0.00316033/step, 2.94086 hours remaining, 240.769531 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: 1650000 4034.2484 20518.0689 14439.3958 242.0402 -202951.8464 2584.2723 0.0000 0.0000 52143.3523 -108990.4684 299.6686 -161133.8207 -108627.9491 300.3034 -62.9076 -32.0324 762642.3039 5.3358 5.3197 PRESSURE: 1650200 67.0816 -203.684 -89.7897 -203.684 34.5558 -83.6806 -89.7885 -83.6815 294.274 GPRESSURE: 1650200 110.153 -160.359 -92.4226 -62.6545 63.9697 -97.414 -147.095 -149.603 287.358 PRESSAVG: 1650200 69.8365 -26.8916 -23.2244 -26.8916 4.01941 53.7707 -23.2244 53.7708 -0.438864 GPRESSAVG: 1650200 68.4825 -26.2085 -22.9373 -26.232 4.2944 54.4209 -24.2888 53.1487 0.457505 TIMING: 1650200 CPU: 5253.85, 0.00317727/step Wall: 5253.85, 0.00317727/step, 2.95645 hours remaining, 240.769531 MB of memory in use. ENERGY: 1650200 3978.7501 20566.5705 14451.4048 242.1276 -203267.4160 2739.2867 0.0000 0.0000 52516.9132 -108772.3630 301.8154 -161289.2762 -108399.4189 300.4320 131.9704 153.8269 760511.4474 24.4723 24.4115 PRESSURE: 1650400 -146.175 -52.5391 -186.382 -52.5401 -405.547 -132.976 -186.381 -132.976 -206.447 GPRESSURE: 1650400 -217.902 -91.2302 -160.829 -47.9302 -286.222 -121.905 11.6425 -25.6864 -177.232 PRESSAVG: 1650400 27.3137 4.53851 2.73968 4.53847 -20.4565 10.6275 2.73965 10.6275 -32.9238 GPRESSAVG: 1650400 29.1254 3.02487 2.90045 6.01863 -21.0839 9.59943 5.116 12.4712 -33.6056 TIMING: 1650400 CPU: 5254.48, 0.00314616/step Wall: 5254.48, 0.00314616/step, 2.92733 hours remaining, 240.769531 MB of memory in use. ENERGY: 1650400 4091.9172 20695.4526 14440.9835 246.9122 -202804.7923 2426.3155 0.0000 0.0000 52028.7245 -108874.4867 299.0098 -160903.2112 -108517.6265 300.9167 -252.7227 -227.1186 763760.7748 -8.6889 -8.5214 PRESSURE: 1650600 -1.22692 154.673 -20.3974 154.673 -194.174 181.388 -20.3975 181.387 88.1715 GPRESSURE: 1650600 77.3088 128.998 31.1132 41.7072 -137.303 200.87 -96.0207 89.3395 49.9279 PRESSAVG: 1650600 14.4091 -36.1589 -49.5529 -36.1589 -54.1103 46.8699 -49.553 46.8699 -1.91256 GPRESSAVG: 1650600 14.129 -35.2903 -50.1542 -36.1748 -53.392 47.7333 -52.7607 44.7404 -2.40481 TIMING: 1650600 CPU: 5255.11, 0.00315023/step Wall: 5255.11, 0.00315023/step, 2.93094 hours remaining, 240.769531 MB of memory in use. ENERGY: 1650600 4035.8860 20654.3510 14402.1564 236.6602 -202765.9999 2348.3556 0.0000 0.0000 52382.7753 -108705.8154 301.0445 -161088.5907 -108347.4017 300.9862 -35.7430 -3.3556 760480.5893 -13.8713 -13.8893 PRESSURE: 1650800 207.105 -8.74838 102.994 -8.74832 101.024 -14.9041 102.994 -14.9052 28.4462 GPRESSURE: 1650800 313.504 -13.7695 161.878 -46.989 198.655 -41.164 155.465 -126.53 -98.6086 PRESSAVG: 1650800 10.5563 -45.5177 -37.418 -45.5178 1.20329 28.7843 -37.4181 28.7843 -0.637138 GPRESSAVG: 1650800 10.155 -47.4469 -38.2176 -45.683 1.64791 27.7798 -32.9953 29.0876 -0.512507 TIMING: 1650800 CPU: 5255.75, 0.00319424/step Wall: 5255.75, 0.00319424/step, 2.9717 hours remaining, 240.769531 MB of memory in use. ENERGY: 1650800 3949.6164 20550.1576 14436.0514 272.4808 -203125.2643 2710.8882 0.0000 0.0000 52431.8062 -108774.2638 301.3263 -161206.0700 -108413.5680 301.2553 112.1918 137.8503 760588.7198 3.7075 3.7635 PRESSURE: 1651000 131.703 71.4538 -5.2034 71.453 -41.5275 84.963 -5.20351 84.9623 34.2554 GPRESSURE: 1651000 181.56 123.506 -78.0917 59.7687 -26.284 21.2703 -154.962 48.6289 61.1417 PRESSAVG: 1651000 16.6852 -5.05136 -38.4282 -5.05142 -58.6508 -20.9353 -38.4283 -20.9353 -1.68845 GPRESSAVG: 1651000 17.2511 -4.01839 -37.4932 -6.51112 -59.3853 -20.7772 -39.9008 -19.3424 -1.88198 TIMING: 1651000 CPU: 5256.38, 0.00315913/step Wall: 5256.38, 0.00315913/step, 2.93887 hours remaining, 240.769531 MB of memory in use. ENERGY: 1651000 3976.6974 20596.9354 14452.7050 253.1463 -202848.6476 2689.7087 0.0000 0.0000 51960.1004 -108919.3546 298.6154 -160879.4549 -108554.4006 300.1906 41.4769 72.1391 761511.4010 -14.5513 -14.6721 PRESSURE: 1651200 8.7983 -11.9607 -35.5059 -11.9596 -31.9041 38.8182 -35.506 38.819 174.455 GPRESSURE: 1651200 5.02022 92.5567 -27.6537 100.47 45.7429 42.5756 -52.3093 -11.942 171.16 PRESSAVG: 1651200 35.86 -25.223 -22.8273 -25.223 -57.4842 6.33938 -22.8273 6.33938 2.0986 GPRESSAVG: 1651200 35.3723 -24.1007 -23.4567 -24.2496 -57.3964 7.16071 -23.1147 5.95935 2.16214 TIMING: 1651200 CPU: 5257.01, 0.00316371/step Wall: 5257.01, 0.00316371/step, 2.94296 hours remaining, 240.769531 MB of memory in use. ENERGY: 1651200 3960.6417 20621.2631 14490.5208 244.9673 -203413.4448 2660.9891 0.0000 0.0000 52327.9008 -109107.1619 300.7292 -161435.0627 -108743.2686 300.3938 50.4496 73.9745 760298.0221 -6.5085 -6.6206 PRESSURE: 1651400 70.3579 -84.0969 276.164 -84.0971 -59.0469 27.9495 276.165 27.9499 -80.4852 GPRESSURE: 1651400 59.8855 -8.92539 304.761 25.9214 -14.9982 81.4126 15.1611 94.018 -39.9224 PRESSAVG: 1651400 87.0824 -25.7993 -30.1337 -25.7993 -88.4151 5.02419 -30.1336 5.02427 -13.0711 GPRESSAVG: 1651400 86.0736 -25.9872 -31.3166 -25.4129 -88.3078 5.10191 -31.9827 4.26429 -12.299 TIMING: 1651400 CPU: 5257.65, 0.00315856/step Wall: 5257.65, 0.00315856/step, 2.93799 hours remaining, 240.769531 MB of memory in use. ENERGY: 1651400 3967.2643 20505.9809 14532.2392 255.5137 -202631.0043 2358.4037 0.0000 0.0000 51800.8969 -109210.7056 297.7005 -161011.6025 -108852.7962 299.2866 -23.0581 1.6550 761752.0674 -4.8013 -4.8444 PRESSURE: 1651600 -110.591 -72.2558 119.855 -72.2558 197.698 1.28559 119.855 1.2856 480.285 GPRESSURE: 1651600 -131.456 5.27961 93.2453 -84.4577 236.064 -53.7773 301.808 35.3292 535.766 PRESSAVG: 1651600 3.73748 -8.98051 -6.27203 -8.98055 -7.96068 107.18 -6.272 107.18 -6.93452 GPRESSAVG: 1651600 5.1708 -9.59842 -5.51404 -10.1194 -8.58932 105.8 -4.38194 106.345 -7.83064 TIMING: 1651600 CPU: 5258.28, 0.00315498/step Wall: 5258.28, 0.00315498/step, 2.93448 hours remaining, 240.769531 MB of memory in use. ENERGY: 1651600 3928.6356 20567.2156 14509.3727 254.3946 -203252.7748 2538.4649 0.0000 0.0000 52036.9254 -109417.7661 299.0569 -161454.6916 -109065.7295 299.1850 189.1308 213.4579 760584.7949 -3.7192 -3.7497 PRESSURE: 1651800 19.1865 46.7737 419.377 46.7736 235.509 342.698 419.378 342.697 -22.0813 GPRESSURE: 1651800 130.935 92.2772 391.572 -51.1501 141.081 375.019 415.863 139.38 38.1767 PRESSAVG: 1651800 19.1788 6.76513 6.51395 6.76518 -66.8673 40.0899 6.51393 40.0899 32.3231 GPRESSAVG: 1651800 19.0793 8.55806 8.58976 6.58904 -67.5405 40.4166 4.24183 39.0754 33.3311 TIMING: 1651800 CPU: 5258.9, 0.00314127/step Wall: 5258.9, 0.00314127/step, 2.92155 hours remaining, 240.769531 MB of memory in use. ENERGY: 1651800 4018.0601 20747.1650 14442.1425 227.7315 -203491.2132 2586.8903 0.0000 0.0000 51920.8522 -109548.3715 298.3899 -161469.2238 -109184.9941 299.2545 77.5380 103.3976 760809.9347 -5.1218 -5.0433 PRESSURE: 1652000 312.139 100.547 90.7692 100.547 173.581 -7.45249 90.7687 -7.45173 -173.845 GPRESSURE: 1652000 344.218 14.7635 74.603 79.998 302.084 6.80374 92.2201 12.9598 -233.197 PRESSAVG: 1652000 25.4381 -0.571724 -11.6639 -0.57179 -4.96566 -10.2792 -11.6639 -10.2793 -21.7154 GPRESSAVG: 1652000 25.5625 -1.1323 -13.1754 0.14772 -4.34812 -9.11046 -11.1453 -8.09407 -22.2594 TIMING: 1652000 CPU: 5259.53, 0.00314589/step Wall: 5259.53, 0.00314589/step, 2.92568 hours remaining, 240.769531 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: 1652000 3955.0596 20370.9459 14501.7990 235.8069 -204157.7689 3341.5544 0.0000 0.0000 52060.9856 -109691.6176 299.1952 -161752.6031 -109339.6387 298.7638 103.9585 137.7016 761948.4158 -0.4143 -0.3483 PRESSURE: 1652200 -200.312 -155.899 44.2596 -155.898 -214.77 -299.849 44.2597 -299.85 -125.064 GPRESSURE: 1652200 -116.472 -187.822 112.923 -65.3571 -238.015 -229.017 -24.8994 -194.942 -117.466 PRESSAVG: 1652200 1.51099 -10.8576 -15.6524 -10.8575 4.64848 -1.32175 -15.6524 -1.32183 -7.13234 GPRESSAVG: 1652200 2.19784 -12.1492 -16.8784 -11.2908 4.68067 -1.73176 -14.2497 -1.01503 -6.63125 TIMING: 1652200 CPU: 5260.17, 0.00315857/step Wall: 5260.17, 0.00315857/step, 2.9373 hours remaining, 240.769531 MB of memory in use. ENERGY: 1652200 3986.4624 20519.2384 14454.1219 230.0123 -203134.4337 2500.5940 0.0000 0.0000 51940.7031 -109503.3016 298.5039 -161444.0047 -109143.6324 298.8381 -180.0486 -157.3175 764193.9724 -0.3243 0.0824 LDB: ============= START OF LOAD BALANCING ============== 5272.62 LDB: ============== END OF LOAD BALANCING =============== 5272.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5272.62 LDB: ============= START OF LOAD BALANCING ============== 5272.94 LDB: Largest compute 7059 load 0.036650 is 18.8% of average load 0.195068 LDB: Average compute 0.004455 is 2.3% of average load 0.195068 LDB: TIME 5272.94 LOAD: AVG 0.195068 MAX 0.21482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.211 MB LDB: TIME 5272.94 LOAD: AVG 0.195068 MAX 0.21482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.305 MB LDB: TIME 5272.94 LOAD: AVG 0.195068 MAX 0.21482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.305 MB LDB: ============== END OF LOAD BALANCING =============== 5272.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5272.95 PRESSURE: 1652400 -56.3157 9.76828 73.5781 9.76903 -224.982 142.568 73.577 142.567 -48.9143 GPRESSURE: 1652400 -106.096 -49.7645 72.1377 103.687 -88.2218 195.123 -0.797544 162.716 -57.1107 PRESSAVG: 1652400 56.8276 -59.9676 -77.5953 -59.9676 1.62226 35.5212 -77.5954 35.5212 -10.8132 GPRESSAVG: 1652400 56.9925 -59.4185 -75.376 -60.2555 1.64045 35.5489 -79.0993 33.8907 -11.1382 TIMING: 1652400 CPU: 5260.81, 0.00324374/step Wall: 5260.81, 0.00324374/step, 3.01632 hours remaining, 240.292969 MB of memory in use. ENERGY: 1652400 4132.2525 20582.5918 14415.9218 244.6381 -203315.3717 2533.3471 0.0000 0.0000 51834.0996 -109572.5207 297.8913 -161406.6204 -109209.0423 299.0913 -110.0706 -83.8094 761564.1162 15.8789 15.8316 PRESSURE: 1652600 -123.83 25.4994 160.766 25.5004 30.9283 241.791 160.767 241.791 135.808 GPRESSURE: 1652600 -65.1913 31.0335 45.0953 -138.824 52.2623 165.977 189.445 138.753 154.718 PRESSAVG: 1652600 30.2054 -39.7203 31.4123 -39.7202 -15.8141 44.0789 31.4123 44.079 -2.64404 GPRESSAVG: 1652600 29.7957 -40.2261 31.4867 -40.1477 -15.4059 44.1321 32.409 46.1255 -2.96475 TIMING: 1652600 CPU: 5261.45, 0.00317126/step Wall: 5261.45, 0.00317126/step, 2.94874 hours remaining, 240.496094 MB of memory in use. ENERGY: 1652600 4074.6696 20414.8299 14418.2225 242.5178 -203510.0436 2807.8217 0.0000 0.0000 51870.8333 -109681.1488 298.1024 -161551.9821 -109318.9800 299.1699 14.3019 47.2629 759742.6828 3.9158 3.8084 PRESSURE: 1652800 -324.278 -62.8901 155.054 -62.8909 -132.595 -111.091 155.054 -111.091 376.972 GPRESSURE: 1652800 -256.303 -37.3574 183.567 -103.878 -92.1918 -80.3936 51.8214 -156.016 345.225 PRESSAVG: 1652800 25.2773 -88.5226 41.3705 -88.5226 50.5295 6.30958 41.3706 6.3096 11.1576 GPRESSAVG: 1652800 24.2403 -87.8688 38.743 -89.6529 49.6803 6.44055 43.3673 4.06058 12.513 TIMING: 1652800 CPU: 5262.08, 0.00316571/step Wall: 5262.08, 0.00316571/step, 2.9434 hours remaining, 240.496094 MB of memory in use. ENERGY: 1652800 3977.4614 20384.8486 14456.7137 248.1708 -202984.9485 2232.1582 0.0000 0.0000 51835.6696 -109849.9261 297.9003 -161685.5957 -109492.0382 298.5823 -26.6335 -1.0900 761334.3680 28.9881 28.8112 PRESSURE: 1653000 162.272 12.318 41.1601 12.3176 -35.2191 -100.724 41.1606 -100.725 -265.881 GPRESSURE: 1653000 121.652 -112.185 -10.562 -11.7869 6.2961 -83.6958 116.556 -40.5377 -213.805 PRESSAVG: 1653000 38.8493 -54.6069 29.9425 -54.6068 -38.5624 2.37209 29.9425 2.37209 20.7722 GPRESSAVG: 1653000 39.5566 -55.3984 30.9958 -53.4124 -39.0654 1.20672 28.282 3.77434 20.2512 TIMING: 1653000 CPU: 5262.72, 0.00318291/step Wall: 5262.72, 0.00318292/step, 2.95923 hours remaining, 240.496094 MB of memory in use. ENERGY: 1653000 4043.1525 20550.1594 14499.2239 232.2930 -203666.9337 2904.4876 0.0000 0.0000 51821.8226 -109615.7947 297.8207 -161437.6173 -109270.5188 298.5112 -46.2758 -28.6189 759642.2803 7.0197 6.9141 PRESSURE: 1653200 57.8865 4.82545 424.081 4.82621 -188.894 211.796 424.081 211.795 -248.365 GPRESSURE: 1653200 72.4563 8.55644 384.516 97.4761 -136.444 202.791 391.558 87.0567 -239.49 PRESSAVG: 1653200 6.10127 -28.5055 42.4128 -28.5055 -18.1828 -21.8487 42.4129 -21.8486 -15.1948 GPRESSAVG: 1653200 7.34396 -28.427 42.0847 -27.9469 -18.9087 -20.7581 41.8239 -19.9707 -15.9183 TIMING: 1653200 CPU: 5263.35, 0.00317546/step Wall: 5263.35, 0.00317546/step, 2.95212 hours remaining, 240.496094 MB of memory in use. ENERGY: 1653200 3993.7623 20472.6877 14499.2594 240.9149 -203250.3129 2468.0050 0.0000 0.0000 52053.1595 -109522.5240 299.1502 -161575.6834 -109160.8624 299.0297 -126.4575 -101.1592 760381.8565 -9.0921 -9.1610 PRESSURE: 1653400 -359.57 -285.762 -78.3217 -285.762 114.718 -78.8352 -78.3218 -78.835 -247.768 GPRESSURE: 1653400 -326.022 -229.855 -39.3594 -266.447 141.33 -49.7161 -62.0118 -185.688 -206.971 PRESSAVG: 1653400 -23.6275 -51.0308 27.9471 -51.0308 18.1232 -21.3977 27.9471 -21.3976 10.4918 GPRESSAVG: 1653400 -24.6888 -50.1093 28.2011 -52.0187 18.8929 -20.24 27.0667 -24.4781 10.7302 TIMING: 1653400 CPU: 5263.99, 0.00317156/step Wall: 5263.99, 0.00317156/step, 2.94832 hours remaining, 240.496094 MB of memory in use. ENERGY: 1653400 3992.1998 20383.0508 14526.7953 235.2108 -203261.3465 2539.4888 0.0000 0.0000 52259.4511 -109325.1500 300.3358 -161584.6011 -108960.2700 299.1145 -164.2070 -130.5545 760105.2003 1.6625 1.6448 PRESSURE: 1653600 -346.582 -25.5182 34.2391 -25.5176 -111.798 -109.77 34.2391 -109.77 35.5387 GPRESSURE: 1653600 -268.364 -126.877 13.048 -12.1877 -86.8291 -93.5108 50.2269 -160.927 12.407 PRESSAVG: 1653600 4.7359 -56.1443 17.6876 -56.1443 1.26585 38.0653 17.6876 38.0653 -31.4059 GPRESSAVG: 1653600 4.24799 -56.9328 17.1778 -58.5363 1.6203 37.4084 18.531 38.6897 -31.1067 TIMING: 1653600 CPU: 5264.63, 0.00319219/step Wall: 5264.63, 0.00319219/step, 2.96732 hours remaining, 240.496094 MB of memory in use. ENERGY: 1653600 4049.6679 20458.0512 14475.5494 243.6364 -202912.0328 2357.2570 0.0000 0.0000 52090.8771 -109236.9939 299.3670 -161327.8709 -108879.1423 299.7789 -140.9474 -114.2619 762279.1076 -8.4680 -8.4128 PRESSURE: 1653800 182.772 -274.539 100.289 -274.538 149.039 -29.844 100.289 -29.8438 585.175 GPRESSURE: 1653800 130.425 -230.824 210.73 -191.851 177.394 20.7327 126.757 -7.80277 685.675 PRESSAVG: 1653800 31.8371 -83.6624 34.3167 -83.6623 -2.08458 0.362386 34.3167 0.362348 15.9409 GPRESSAVG: 1653800 30.7974 -81.2764 33.3221 -81.2222 -2.8179 0.00422889 34.9907 2.21037 17.6687 TIMING: 1653800 CPU: 5265.26, 0.00316884/step Wall: 5265.26, 0.00316884/step, 2.94544 hours remaining, 240.496094 MB of memory in use. ENERGY: 1653800 3965.2474 20421.6611 14476.9572 238.4069 -203386.3981 2701.3186 0.0000 0.0000 52406.5272 -109176.2799 301.1810 -161582.8071 -108813.6563 300.1098 305.6622 331.1646 760758.7699 15.2312 15.2161 PRESSURE: 1654000 -278.923 12.1743 15.2952 12.1742 -76.0705 -170.294 15.2953 -170.293 199.027 GPRESSURE: 1654000 -295.851 49.7596 53.322 36.9311 -14.5578 -140.366 12.634 -116.709 225.452 PRESSAVG: 1654000 -28.7688 -83.2251 38.8863 -83.2251 54.8466 -26.5079 38.8863 -26.5079 -4.976 GPRESSAVG: 1654000 -27.3534 -84.8211 39.0597 -83.1225 54.9252 -25.5084 38.8941 -28.5515 -6.39963 TIMING: 1654000 CPU: 5265.89, 0.00317234/step Wall: 5265.89, 0.00317234/step, 2.94851 hours remaining, 240.496094 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: 1654000 3986.6486 20476.5658 14496.3098 258.5542 -202977.5137 2598.6357 0.0000 0.0000 51962.4182 -109198.3815 298.6287 -161160.7997 -108828.6011 300.0463 -51.9887 -28.3190 762591.6353 7.0339 7.0574 PRESSURE: 1654200 374.697 9.31034 61.8563 9.31063 86.915 -181.712 61.856 -181.711 -253.614 GPRESSURE: 1654200 344.879 -59.4606 104.982 -83.363 166.447 -165.006 27.7143 -102.836 -221.19 PRESSAVG: 1654200 -15.2964 -3.91282 8.97833 -3.9128 -28.0382 -44.4895 8.97834 -44.4895 9.28691 GPRESSAVG: 1654200 -15.2845 -3.68467 9.59938 -7.59241 -27.4799 -45.8525 6.81854 -43.7877 9.22738 TIMING: 1654200 CPU: 5266.53, 0.00318004/step Wall: 5266.53, 0.00318004/step, 2.9555 hours remaining, 240.496094 MB of memory in use. ENERGY: 1654200 3966.0089 20482.0868 14455.6603 253.9485 -203494.2276 2802.2219 0.0000 0.0000 52188.0875 -109346.2137 299.9257 -161534.3012 -108993.3901 299.4530 69.3328 96.7119 762687.9346 -11.3492 -11.1790 PRESSURE: 1654400 84.6968 -38.7032 251.351 -38.7035 -25.6229 -92.1912 251.352 -92.1921 178.153 GPRESSURE: 1654400 153.388 5.7756 190.194 -67.7607 2.71706 -131.73 194.585 -106.148 141.045 PRESSAVG: 1654400 8.04759 -30.9313 -44.9863 -30.9313 -47.9912 -42.8899 -44.9864 -42.8899 2.98058 GPRESSAVG: 1654400 8.52549 -32.3945 -46.123 -26.7321 -48.225 -41.793 -43.519 -41.0034 2.98927 TIMING: 1654400 CPU: 5267.16, 0.00317057/step Wall: 5267.16, 0.00317057/step, 2.94652 hours remaining, 240.496094 MB of memory in use. ENERGY: 1654400 3975.3797 20486.7381 14508.8141 239.9956 -203607.3855 3029.1007 0.0000 0.0000 52218.7660 -109148.5914 300.1020 -161367.3574 -108782.6301 299.8442 79.0757 99.0500 762141.5915 -12.3210 -12.2368 PRESSURE: 1654600 151.642 26.1997 37.3288 26.1992 -109.014 229.331 37.3294 229.331 -43.7961 GPRESSURE: 1654600 179.563 91.6239 40.7526 76.8765 -2.10423 180.611 35.5298 260.586 -71.8281 PRESSAVG: 1654600 31.1444 -25.6391 19.2344 -25.6391 12.4973 -19.8003 19.2344 -19.8003 -29.3706 GPRESSAVG: 1654600 29.7269 -24.4001 20.8905 -25.4093 14.8852 -21.4811 19.5281 -22.5379 -31.1172 TIMING: 1654600 CPU: 5267.79, 0.00314494/step Wall: 5267.79, 0.00314494/step, 2.92252 hours remaining, 240.496094 MB of memory in use. ENERGY: 1654600 3958.3149 20433.1409 14459.8749 251.6881 -202881.1194 2436.9798 0.0000 0.0000 52153.9586 -109187.1622 299.7295 -161341.1208 -108829.1865 299.7290 -0.3894 35.2103 760870.7111 4.7570 4.4983 PRESSURE: 1654800 -218.806 -149.126 76.1721 -149.126 21.9464 -0.209112 76.173 -0.209691 -96.5982 GPRESSURE: 1654800 -207.513 -76.2534 54.5578 -129.979 103.995 56.8258 40.5255 3.81692 -104.303 PRESSAVG: 1654800 19.8103 -10.2466 46.2234 -10.2466 24.4144 5.02922 46.2233 5.02917 3.22192 GPRESSAVG: 1654800 19.8768 -9.02959 46.5105 -11.268 23.9779 6.26095 45.2947 6.37219 4.16244 TIMING: 1654800 CPU: 5268.42, 0.00314443/step Wall: 5268.42, 0.00314443/step, 2.92187 hours remaining, 240.496094 MB of memory in use. ENERGY: 1654800 4048.0205 20457.7933 14436.1100 258.7985 -203084.1633 2560.7687 0.0000 0.0000 52148.2615 -109174.4108 299.6968 -161322.6723 -108817.9428 299.7679 -97.8194 -69.2737 760625.2021 15.8155 16.0057 PRESSURE: 1655000 -205.573 -84.9673 -169.452 -84.9675 -229.92 63.314 -169.451 63.3142 -293.375 GPRESSURE: 1655000 -97.2762 -140.683 -207.345 -80.8828 -316.944 38.781 19.3905 116.906 -254.953 PRESSAVG: 1655000 -21.4544 -12.9311 27.9433 -12.9311 11.1138 14.1443 27.9433 14.1443 8.48706 GPRESSAVG: 1655000 -21.002 -14.4008 28.6753 -13.8875 10.5964 14.1203 29.7418 12.8151 7.95975 TIMING: 1655000 CPU: 5269.05, 0.00315739/step Wall: 5269.05, 0.00315739/step, 2.93374 hours remaining, 240.496094 MB of memory in use. ENERGY: 1655000 4016.1436 20418.0667 14486.1632 254.2789 -203263.0367 2572.4917 0.0000 0.0000 52174.7879 -109341.1048 299.8492 -161515.8926 -108966.3113 299.4135 -242.9561 -223.0579 761314.0974 -0.6179 -0.8153 PRESSURE: 1655200 269.277 34.1737 63.5484 34.1736 -35.475 357.336 63.5491 357.336 280.317 GPRESSURE: 1655200 345.012 -54.7886 39.4064 47.8741 33.3797 345.887 115.175 329.925 199.635 PRESSAVG: 1655200 42.6197 -14.9855 15.9457 -14.9855 -29.4399 -22.3041 15.9457 -22.3041 13.0932 GPRESSAVG: 1655200 43.3743 -18.0698 13.9686 -14.2641 -30.3129 -22.4328 15.8446 -21.3819 12.7066 TIMING: 1655200 CPU: 5269.68, 0.00315094/step Wall: 5269.68, 0.00315094/step, 2.92757 hours remaining, 240.496094 MB of memory in use. ENERGY: 1655200 3990.4874 20345.2893 14451.7291 263.7817 -203590.9871 2901.2458 0.0000 0.0000 52086.4690 -109551.9847 299.3417 -161638.4537 -109191.8127 299.3057 171.3732 192.6754 759926.2520 8.7576 8.5894 PRESSURE: 1655400 31.3893 49.4797 -61.5643 49.4801 -225.492 -34.585 -61.5639 -34.5856 -363.246 GPRESSURE: 1655400 194.934 106.631 -150.078 69.4422 -277.035 71.1364 -26.8117 -14.9446 -395.715 PRESSAVG: 1655400 3.65244 -34.8512 -26.8944 -34.8511 14.6381 25.5598 -26.8943 25.5599 9.78013 GPRESSAVG: 1655400 4.29472 -31.8802 -26.5397 -34.261 14.0691 26.224 -26.824 23.8006 9.87051 TIMING: 1655400 CPU: 5270.31, 0.00315567/step Wall: 5270.31, 0.00315567/step, 2.93179 hours remaining, 240.496094 MB of memory in use. ENERGY: 1655400 4049.9401 20714.4688 14479.7446 248.4730 -203311.4687 2492.8081 0.0000 0.0000 51867.5346 -109458.4996 298.0834 -161326.0342 -109105.5840 298.8571 -185.7830 -159.2720 761813.8580 9.3569 9.4115 PRESSURE: 1655600 118.822 28.7285 117.243 28.7284 -66.0225 -221.17 117.243 -221.17 -64.2158 GPRESSURE: 1655600 138.622 -37.4109 86.5111 -61.5155 -28.4397 -275.128 59.5375 -259.049 -32.6938 PRESSAVG: 1655600 13.0488 -25.1451 -8.19671 -25.1451 -15.8928 12.7325 -8.19673 12.7324 12.3754 GPRESSAVG: 1655600 11.2572 -26.2731 -9.0236 -26.8155 -16.2314 11.7293 -12.1188 13.7978 14.0505 TIMING: 1655600 CPU: 5270.95, 0.00318293/step Wall: 5270.95, 0.00318293/step, 2.95694 hours remaining, 240.496094 MB of memory in use. ENERGY: 1655600 3922.6755 20475.4065 14391.8566 227.6572 -202939.0722 2331.0921 0.0000 0.0000 52148.9251 -109441.4591 299.7006 -161590.3842 -109087.5071 299.1423 -3.8055 25.8295 761127.3823 3.1771 3.0254 PRESSURE: 1655800 -110.448 123.225 -36.3766 123.225 -286.959 111.461 -36.3787 111.461 88.9258 GPRESSURE: 1655800 -127.158 150.395 -63.0669 125.135 -160.095 87.996 31.4271 179.423 54.3303 PRESSAVG: 1655800 4.70939 -69.352 37.3729 -69.352 21.9566 -61.2719 37.3729 -61.2719 5.67741 GPRESSAVG: 1655800 4.48304 -66.0614 38.882 -68.7735 22.985 -61.5762 39.3462 -61.1865 4.56307 TIMING: 1655800 CPU: 5271.59, 0.00318509/step Wall: 5271.59, 0.00318509/step, 2.95877 hours remaining, 240.496094 MB of memory in use. ENERGY: 1655800 3929.1599 20651.0006 14484.0762 245.4579 -203147.9477 2581.4786 0.0000 0.0000 51912.7976 -109343.9768 298.3436 -161256.7744 -108994.2362 298.8977 -102.8269 -77.6409 761500.8135 10.7811 10.6770 PRESSURE: 1656000 24.5761 -105.7 -175.661 -105.701 57.9076 198.112 -175.661 198.111 100.089 GPRESSURE: 1656000 38.7188 -204.833 -54.2235 -28.7888 93.4617 141.262 -55.8614 165.244 121.337 PRESSAVG: 1656000 -1.70367 12.3648 41.8342 12.3647 16.7464 -9.6073 41.8342 -9.60722 -17.1834 GPRESSAVG: 1656000 -0.906533 9.69061 42.2605 12.2157 14.8961 -9.17736 42.8027 -10.3498 -16.8747 TIMING: 1656000 CPU: 5272.23, 0.00318767/step Wall: 5272.23, 0.00318767/step, 2.96099 hours remaining, 240.496094 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: 1656000 3975.1369 20545.3739 14419.7310 242.5468 -203231.0922 2561.6149 0.0000 0.0000 52258.8010 -109227.8878 300.3320 -161486.6888 -108857.6156 299.6005 60.8575 84.5060 760646.0226 -0.7136 -0.9617 PRESSURE: 1656200 -25.5377 -81.5161 -268.45 -81.5154 -201.54 172.714 -268.45 172.714 -46.7551 GPRESSURE: 1656200 39.6425 -107.396 -219.546 48.7567 -212.687 57.4119 -211.84 184.288 -38.3294 PRESSAVG: 1656200 24.2898 -35.3606 -36.0776 -35.3606 -32.0342 -50.1973 -36.0776 -50.1973 10.8145 GPRESSAVG: 1656200 24.6893 -35.1051 -35.8576 -33.541 -32.259 -50.3596 -34.0738 -51.1257 9.88705 TIMING: 1656200 CPU: 5272.86, 0.00319427/step Wall: 5272.86, 0.00319427/step, 2.96694 hours remaining, 240.496094 MB of memory in use. ENERGY: 1656200 3957.6969 20616.0848 14476.1548 239.0282 -202845.9985 2335.1393 0.0000 0.0000 51946.1423 -109275.7524 298.5352 -161221.8946 -108916.0405 299.5082 -91.2776 -70.4580 760705.2730 1.0234 0.7724 LDB: ============= START OF LOAD BALANCING ============== 5285.32 LDB: ============== END OF LOAD BALANCING =============== 5285.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5285.32 LDB: ============= START OF LOAD BALANCING ============== 5285.64 LDB: Largest compute 7059 load 0.037087 is 19.0% of average load 0.195074 LDB: Average compute 0.004439 is 2.3% of average load 0.195074 LDB: TIME 5285.65 LOAD: AVG 0.195074 MAX 0.215674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.578 MB LDB: TIME 5285.65 LOAD: AVG 0.195074 MAX 0.215674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.781 MB LDB: TIME 5285.65 LOAD: AVG 0.195074 MAX 0.215674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.781 MB LDB: ============== END OF LOAD BALANCING =============== 5285.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5285.65 PRESSURE: 1656400 -337.936 -107.097 275.66 -107.098 -106.762 -78.0147 275.66 -78.0142 -298.621 GPRESSURE: 1656400 -345.586 -96.2944 332.676 -183.394 2.82123 -49.6886 139.863 -81.578 -318.314 PRESSAVG: 1656400 -47.4354 -75.1683 -28.8017 -75.1684 42.2405 26.0088 -28.8017 26.0088 10.5283 GPRESSAVG: 1656400 -48.1346 -74.2757 -31.1182 -77.5041 42.7985 26.471 -32.2697 27.037 11.0076 TIMING: 1656400 CPU: 5273.52, 0.00326595/step Wall: 5273.52, 0.00326595/step, 3.03334 hours remaining, 240.035156 MB of memory in use. ENERGY: 1656400 4050.0968 20428.6915 14492.9542 226.2284 -202794.7788 2315.3834 0.0000 0.0000 52070.4003 -109211.0241 299.2493 -161281.4244 -108847.0437 299.4717 -247.7730 -220.3595 762180.4876 1.7778 1.8905 PRESSURE: 1656600 165.814 -188.419 -39.0592 -188.419 -305.845 140.199 -39.0587 140.199 22.0464 GPRESSURE: 1656600 180.575 -204.453 -22.7232 -179.487 -232.708 151.133 10.7625 191.556 36.3479 PRESSAVG: 1656600 50.5989 -80.7948 -12.0832 -80.7948 -84.7725 24.4858 -12.0832 24.4858 -0.526689 GPRESSAVG: 1656600 48.8972 -82.3956 -10.4328 -79.4649 -83.0244 23.4976 -10.9675 25.5288 -0.366927 TIMING: 1656600 CPU: 5274.15, 0.00318494/step Wall: 5274.15, 0.00318495/step, 2.95793 hours remaining, 240.035156 MB of memory in use. ENERGY: 1656600 4013.7745 20664.9703 14386.6069 252.6393 -202861.9755 2398.9195 0.0000 0.0000 51949.1680 -109195.8970 298.5526 -161145.0650 -108837.8326 299.7286 -39.3283 -5.2614 763174.3187 -11.5668 -11.4980 PRESSURE: 1656800 -116.153 219.725 -146.5 219.725 279.817 -109.843 -146.501 -109.844 -117.344 GPRESSURE: 1656800 -52.7344 173.013 -163.153 235.515 265.837 -113.92 -234.949 -72.1834 -96.9182 PRESSAVG: 1656800 2.74144 -57.5691 -26.1798 -57.5691 41.2645 -16.3686 -26.1798 -16.3686 11.7006 GPRESSAVG: 1656800 4.26122 -58.7756 -26.5185 -57.8775 39.6119 -18.1662 -26.7592 -15.0424 11.8773 TIMING: 1656800 CPU: 5274.79, 0.0031742/step Wall: 5274.79, 0.0031742/step, 2.94778 hours remaining, 240.035156 MB of memory in use. ENERGY: 1656800 3958.4127 20486.1576 14445.8686 232.0201 -203378.7431 2882.2647 0.0000 0.0000 52223.6834 -109150.3360 300.1302 -161374.0194 -108779.8393 300.1976 15.4397 38.7282 759455.8349 18.5688 18.5835 PRESSURE: 1657000 80.6437 38.6459 -78.364 38.6452 191.78 -24.5294 -78.3641 -24.5294 -160.684 GPRESSURE: 1657000 93.4591 125.938 -102.284 -143.26 177.778 49.4322 -56.1805 -84.5537 -83.4267 PRESSAVG: 1657000 53.4629 -27.6996 -83.4934 -27.6996 -29.5391 -29.5747 -83.4934 -29.5747 1.06539 GPRESSAVG: 1657000 53.9065 -26.4324 -82.9742 -29.0294 -28.8966 -27.0265 -83.1554 -32.1917 -0.0871719 TIMING: 1657000 CPU: 5275.43, 0.00320103/step Wall: 5275.43, 0.00320103/step, 2.97251 hours remaining, 240.035156 MB of memory in use. ENERGY: 1657000 4009.0269 20482.6097 14435.3382 222.3968 -202958.8806 2393.6737 0.0000 0.0000 52256.8917 -109158.9435 300.3211 -161415.8352 -108791.6674 299.4917 37.2464 62.6035 761187.7407 8.3297 8.3076 PRESSURE: 1657200 -342.188 109.575 3.76608 109.576 -535.066 -53.4467 3.76651 -53.4479 -333.579 GPRESSURE: 1657200 -355.615 131.219 -29.0016 146.1 -446.894 -165.724 -18.7453 15.3851 -314.017 PRESSAVG: 1657200 22.1146 -57.5028 43.1757 -57.5027 -17.1848 -3.55426 43.1757 -3.55425 11.196 GPRESSAVG: 1657200 20.8345 -57.3028 42.2584 -56.2327 -16.6187 -3.8344 44.7391 -0.737245 11.7101 TIMING: 1657200 CPU: 5276.07, 0.0031913/step Wall: 5276.07, 0.0031913/step, 2.9633 hours remaining, 240.035156 MB of memory in use. ENERGY: 1657200 3974.2941 20489.2508 14437.4717 235.9717 -202989.9277 2151.4590 0.0000 0.0000 52384.9457 -109316.5348 301.0570 -161701.4805 -108955.1551 299.3935 -403.6110 -372.1752 761441.5417 5.3753 5.3087 PRESSURE: 1657400 -91.2161 -5.13881 37.0974 -5.13861 -109.619 325.398 37.097 325.397 175.028 GPRESSURE: 1657400 -7.57913 45.1659 74.1754 46.2339 -79.9706 209.152 114.21 311.023 168.208 PRESSAVG: 1657400 3.77792 -50.1135 -20.0345 -50.1135 -27.0816 18.2753 -20.0345 18.2752 -1.30672 GPRESSAVG: 1657400 4.07439 -48.6166 -20.7461 -50.0465 -27.5808 18.352 -21.5515 17.0373 -1.41462 TIMING: 1657400 CPU: 5276.7, 0.00316697/step Wall: 5276.7, 0.00316697/step, 2.94053 hours remaining, 240.035156 MB of memory in use. ENERGY: 1657400 3932.7995 20439.5570 14440.3915 237.6983 -203325.8790 2335.5666 0.0000 0.0000 52408.0081 -109531.8580 301.1895 -161939.8661 -109159.3639 299.4089 -8.6025 26.8861 759693.8574 -8.2035 -8.3070 PRESSURE: 1657600 -72.0716 -21.6802 -31.9621 -21.6804 221.204 172.307 -31.9618 172.308 -97.3792 GPRESSURE: 1657600 -35.8848 -166.499 -16.5315 -30.633 230.586 142.409 44.2071 110.896 -95.1121 PRESSAVG: 1657600 7.78917 -60.2677 26.2852 -60.2676 -36.0138 11.2298 26.2851 11.2298 21.4776 GPRESSAVG: 1657600 8.31862 -61.4943 27.5701 -60.3991 -36.0997 11.0628 26.5308 9.91866 20.4041 TIMING: 1657600 CPU: 5277.34, 0.00316753/step Wall: 5277.34, 0.00316753/step, 2.94087 hours remaining, 240.035156 MB of memory in use. ENERGY: 1657600 3930.2554 20674.1501 14421.0830 219.7740 -203851.6127 2765.9061 0.0000 0.0000 52272.9063 -109567.5378 300.4131 -161840.4441 -109206.9841 299.3374 17.2509 33.1964 758364.4879 -2.2490 -2.4590 PRESSURE: 1657800 -305.868 -159.35 -71.6215 -159.35 -53.8984 5.39624 -71.6218 5.39672 -194.54 GPRESSURE: 1657800 -368.724 -157.895 -113.19 -200.442 4.76477 35.1748 -77.1125 31.0365 -110.681 PRESSAVG: 1657800 33.493 -60.283 35.166 -60.2829 -5.09206 -1.99217 35.166 -1.9921 -6.44189 GPRESSAVG: 1657800 31.2744 -60.6447 36.4527 -60.4504 -5.7592 -3.46456 32.5948 0.391685 -3.90457 TIMING: 1657800 CPU: 5277.97, 0.00316704/step Wall: 5277.97, 0.00316704/step, 2.94025 hours remaining, 240.035156 MB of memory in use. ENERGY: 1657800 3983.4697 20589.8378 14405.1596 239.0567 -203053.5704 2195.7768 0.0000 0.0000 52148.7796 -109491.4902 299.6998 -161640.2698 -109127.9912 298.9588 -184.7685 -158.2133 760232.6047 7.3197 7.2035 PRESSURE: 1658000 -299.589 -84.7468 85.0369 -84.7468 -342.216 130.487 85.0367 130.487 -379.667 GPRESSURE: 1658000 -319.677 -208.098 62.5715 -77.917 -229.441 139.436 43.0371 55.2681 -376.609 PRESSAVG: 1658000 35.6102 -52.2578 -25.5676 -52.2578 0.280113 25.7884 -25.5677 25.7885 17.199 GPRESSAVG: 1658000 37.4164 -54.2208 -26.8283 -53.2426 0.0476929 25.5958 -24.7851 23.9837 15.4772 TIMING: 1658000 CPU: 5278.6, 0.00317856/step Wall: 5278.6, 0.00317856/step, 2.95076 hours remaining, 240.035156 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: 1658000 4014.8628 20566.4214 14450.0903 265.0596 -203060.8845 2478.3062 0.0000 0.0000 51910.3090 -109375.8353 298.3293 -161286.1442 -109012.5348 299.6919 -340.4907 -308.5757 762077.2656 17.6964 17.6471 PRESSURE: 1658200 -108.604 104.501 131.694 104.501 -181.827 23.3255 131.693 23.3255 -8.37212 GPRESSURE: 1658200 -81.2072 119.358 164.714 193.05 -57.9936 -0.777597 221.71 -46.7892 -60.4347 PRESSAVG: 1658200 -39.4377 -22.2976 20.092 -22.2976 61.906 2.69637 20.0919 2.69627 8.84469 GPRESSAVG: 1658200 -39.3735 -20.2025 19.5487 -20.7231 62.1417 3.83123 21.3292 2.10899 8.40096 TIMING: 1658200 CPU: 5279.24, 0.00318513/step Wall: 5279.24, 0.00318513/step, 2.95669 hours remaining, 240.035156 MB of memory in use. ENERGY: 1658200 4002.9252 20512.5689 14443.1939 232.0523 -202909.8108 2251.4232 0.0000 0.0000 52164.8272 -109302.8201 299.7920 -161467.6473 -108947.4551 299.2125 -99.6008 -66.5452 761811.4822 10.4377 10.3897 PRESSURE: 1658400 89.7467 -103.412 -49.4164 -103.412 445.935 -264.592 -49.4168 -264.593 -30.52 GPRESSURE: 1658400 143.261 -144.815 -71.1804 -81.4414 454.561 -258.255 46.2173 -188.396 4.18579 PRESSAVG: 1658400 61.5948 -39.7211 34.4274 -39.721 -42.5386 35.7414 34.4275 35.7415 22.8364 GPRESSAVG: 1658400 61.9291 -41.1101 33.9169 -38.4365 -42.8102 36.2016 36.7473 35.8742 22.5818 TIMING: 1658400 CPU: 5279.88, 0.00317284/step Wall: 5279.88, 0.00317284/step, 2.9451 hours remaining, 240.035156 MB of memory in use. ENERGY: 1658400 4003.6645 20593.0671 14479.0248 266.3454 -203643.9623 2658.7944 0.0000 0.0000 52347.2749 -109295.7913 300.8405 -161643.0662 -108943.1255 299.9135 168.3873 200.6692 760818.4990 13.9642 13.9002 PRESSURE: 1658600 -190.463 22.1306 -17.7201 22.1311 -424.07 90.2581 -17.7212 90.2572 -281.033 GPRESSURE: 1658600 -329.144 81.6689 -27.9651 78.4438 -287.235 109.695 -109.574 -34.014 -207.593 PRESSAVG: 1658600 15.1123 -32.0598 -63.6352 -32.0599 14.9886 9.91649 -63.6353 9.9165 18.2447 GPRESSAVG: 1658600 14.6099 -30.6533 -63.527 -31.9093 14.8333 10.255 -65.9563 9.80412 18.2048 TIMING: 1658600 CPU: 5280.51, 0.00317655/step Wall: 5280.51, 0.00317655/step, 2.94837 hours remaining, 240.035156 MB of memory in use. ENERGY: 1658600 4011.8280 20551.9727 14448.2752 268.5251 -202975.2624 2145.9914 0.0000 0.0000 52063.6282 -109485.0417 299.2104 -161548.6700 -109121.5385 299.6933 -298.5224 -274.6572 760466.0396 16.1152 15.8827 PRESSURE: 1658800 173.225 -181.942 -88.0527 -181.941 172.51 74.4455 -88.0527 74.445 317.73 GPRESSURE: 1658800 184.106 -128.225 -85.7383 -117.289 206.256 107.418 -205.313 50.3805 353.812 PRESSAVG: 1658800 -27.1967 -61.1421 -19.9697 -61.1421 -29.7666 11.6391 -19.9698 11.6391 -7.06085 GPRESSAVG: 1658800 -27.4486 -59.033 -19.7832 -62.3582 -29.0012 10.4528 -20.027 13.042 -6.96175 TIMING: 1658800 CPU: 5281.14, 0.00316389/step Wall: 5281.14, 0.00316389/step, 2.93644 hours remaining, 240.035156 MB of memory in use. ENERGY: 1658800 4030.9110 20580.0294 14324.1016 241.9003 -203644.5173 2777.1821 0.0000 0.0000 52060.7188 -109629.6740 299.1937 -161690.3928 -109269.5354 299.2259 221.1551 248.0577 761957.2682 -21.3414 -21.1372 PRESSURE: 1659000 -282.953 107.109 81.7429 107.11 141.496 14.5636 81.7419 14.5623 -32.4601 GPRESSURE: 1659000 -196.753 38.7945 -20.639 22.3274 199.948 -60.45 51.6835 9.07782 -97.0708 PRESSAVG: 1659000 -54.7532 -5.26172 -20.7517 -5.26163 17.5086 42.743 -20.7516 42.743 0.729273 GPRESSAVG: 1659000 -53.8706 -8.94555 -22.0359 -4.24895 17.3921 43.3367 -19.7968 41.177 0.200034 TIMING: 1659000 CPU: 5281.77, 0.00315527/step Wall: 5281.77, 0.00315527/step, 2.92826 hours remaining, 240.035156 MB of memory in use. ENERGY: 1659000 3910.2372 20451.5732 14442.7419 245.6505 -203199.6378 2336.0542 0.0000 0.0000 51937.2010 -109876.1798 298.4838 -161813.3808 -109509.1966 298.8277 -57.9723 -31.2919 760408.1627 -12.1718 -12.0928 PRESSURE: 1659200 167.09 178.04 101.791 178.041 -212.558 290.848 101.792 290.847 209.775 GPRESSURE: 1659200 204.95 96.8036 90.6781 210.179 -169.689 204.919 -13.4086 286.132 208.751 PRESSAVG: 1659200 -33.764 -40.7368 -14.1776 -40.7368 1.06139 31.9797 -14.1777 31.9797 -3.52425 GPRESSAVG: 1659200 -34.9205 -39.2605 -13.538 -39.7247 0.830444 31.6915 -12.8327 33.7282 -1.5486 TIMING: 1659200 CPU: 5282.41, 0.00315197/step Wall: 5282.41, 0.00315197/step, 2.92503 hours remaining, 240.035156 MB of memory in use. ENERGY: 1659200 4003.4913 20430.3948 14522.9954 240.9237 -203168.1594 2317.7541 0.0000 0.0000 51906.5939 -109746.0062 298.3079 -161652.6001 -109384.4208 298.2835 54.7691 81.3376 760638.4848 -12.0756 -11.8795 PRESSURE: 1659400 98.6413 75.1534 -252.535 75.1535 110.849 95.9903 -252.534 95.9905 -29.067 GPRESSURE: 1659400 57.0868 39.4822 -180.435 -15.2336 219.99 36.1399 -231.121 115.352 -11.6296 PRESSAVG: 1659400 -26.5958 -3.03309 -34.3573 -3.03312 41.4997 69.0681 -34.3573 69.068 0.376081 GPRESSAVG: 1659400 -25.724 -1.27293 -31.3304 -6.19936 42.4808 70.2438 -35.7939 69.9509 -0.727156 TIMING: 1659400 CPU: 5283.04, 0.00315051/step Wall: 5283.04, 0.00315051/step, 2.9235 hours remaining, 240.035156 MB of memory in use. ENERGY: 1659400 3917.1323 20609.3908 14308.9670 273.0004 -203364.9990 2456.9351 0.0000 0.0000 52089.2321 -109710.3412 299.3575 -161799.5733 -109347.8678 298.8261 60.1412 88.4824 759403.5365 5.0933 5.3432 PRESSURE: 1659600 358.105 44.3594 59.9955 44.3595 -0.644392 87.8791 59.9959 87.8788 16.2092 GPRESSURE: 1659600 446.049 48.9767 -1.89249 23.2475 17.4725 109.351 -3.60027 74.3891 -4.22069 PRESSAVG: 1659600 -25.0335 -20.136 59.7636 -20.136 49.408 29.502 59.7635 29.502 6.55318 GPRESSAVG: 1659600 -24.5514 -21.8847 57.6012 -21.09 48.4802 28.0449 60.5481 29.0606 7.204 TIMING: 1659600 CPU: 5283.67, 0.00319411/step Wall: 5283.67, 0.00319411/step, 2.96378 hours remaining, 240.035156 MB of memory in use. ENERGY: 1659600 3937.1150 20462.2730 14460.8715 248.5376 -203734.6455 2669.6596 0.0000 0.0000 52309.3650 -109646.8238 300.6226 -161956.1888 -109280.7558 299.2916 124.5565 153.1004 759614.1037 10.3092 10.3776 PRESSURE: 1659800 -57.5007 28.5385 -203.997 28.5391 143.144 26.2588 -203.998 26.2581 -236.983 GPRESSURE: 1659800 -30.9333 -10.5448 -205.19 -71.0795 163.854 52.9985 -64.6519 -29.1467 -216.688 PRESSAVG: 1659800 15.9071 -2.65299 17.5089 -2.65292 53.0075 41.8528 17.509 41.8528 -21.4765 GPRESSAVG: 1659800 14.69 -1.2199 17.5076 -0.436736 53.2415 42.6744 17.9652 40.2029 -20.4547 TIMING: 1659800 CPU: 5284.31, 0.00317003/step Wall: 5284.31, 0.00317003/step, 2.94126 hours remaining, 240.035156 MB of memory in use. ENERGY: 1659800 3957.4399 20462.4736 14498.1866 248.4095 -203171.5910 2634.0577 0.0000 0.0000 51749.5674 -109621.4562 297.4055 -161371.0237 -109262.3597 298.4626 -50.4465 -27.9224 761617.2222 15.8127 15.8256 PRESSURE: 1660000 -12.409 100.877 -127.407 100.877 -80.6036 -171.663 -127.405 -171.663 -322.627 GPRESSURE: 1660000 -57.1472 119.618 -75.3482 0.557947 -13.6254 -309.083 58.0108 -178.16 -263.883 PRESSAVG: 1660000 3.46328 -80.4811 -2.35641 -80.4811 -2.68108 2.64128 -2.35637 2.64128 28.1201 GPRESSAVG: 1660000 3.04183 -82.4628 -2.18411 -80.1529 -2.70133 1.70142 -1.8852 3.40407 28.3722 TIMING: 1660000 CPU: 5284.94, 0.00318076/step Wall: 5284.94, 0.00318076/step, 2.95104 hours remaining, 240.035156 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: 1660000 4002.6484 20501.0057 14429.1223 269.3757 -203561.2501 2549.2851 0.0000 0.0000 52598.3306 -109211.4822 302.2833 -161809.8128 -108849.0212 299.0030 -138.5467 -111.5518 761027.2486 9.6341 9.5709 PRESSURE: 1660200 -278.252 16.5564 -52.8463 16.5559 -320.475 -24.765 -52.847 -24.7658 -638.587 GPRESSURE: 1660200 -249.971 38.982 -96.1775 -54.644 -323.21 -44.2364 -119.109 -15.574 -591.573 PRESSAVG: 1660200 9.1479 -22.7367 18.7223 -22.7367 -37.858 4.02377 18.7224 4.0238 -2.11238 GPRESSAVG: 1660200 9.71582 -20.4021 19.7056 -24.5063 -38.3308 5.31524 17.5557 4.28033 -2.63762 TIMING: 1660200 CPU: 5285.58, 0.00317044/step Wall: 5285.58, 0.00317044/step, 2.94129 hours remaining, 240.035156 MB of memory in use. ENERGY: 1660200 4067.4871 20691.5419 14488.1758 254.8637 -203295.9294 2664.1393 0.0000 0.0000 51791.1982 -109338.5234 297.6447 -161129.7216 -108977.0092 300.1152 -412.4382 -388.2515 762350.3522 -10.2741 -10.4175 LDB: ============= START OF LOAD BALANCING ============== 5298.03 LDB: ============== END OF LOAD BALANCING =============== 5298.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5298.03 LDB: ============= START OF LOAD BALANCING ============== 5298.35 LDB: Largest compute 7078 load 0.035071 is 18.0% of average load 0.195143 LDB: Average compute 0.004406 is 2.3% of average load 0.195143 LDB: TIME 5298.35 LOAD: AVG 0.195143 MAX 0.213403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.836 MB LDB: TIME 5298.35 LOAD: AVG 0.195143 MAX 0.213403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.906 MB LDB: TIME 5298.35 LOAD: AVG 0.195143 MAX 0.213403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.906 MB LDB: ============== END OF LOAD BALANCING =============== 5298.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5298.36 PRESSURE: 1660400 -136.244 -100.266 19.1311 -100.266 181.18 116.746 19.1311 116.746 -162.774 GPRESSURE: 1660400 -67.5797 -89.2545 14.726 -95.8682 125.645 109.881 -36.1438 6.67077 -90.1484 PRESSAVG: 1660400 -13.3498 2.79487 -41.6441 2.79488 -21.7294 5.02421 -41.6441 5.02413 15.1953 GPRESSAVG: 1660400 -13.4033 1.21997 -43.1439 4.68172 -22.0623 5.32845 -42.647 5.17792 15.7101 TIMING: 1660400 CPU: 5286.23, 0.00323249/step Wall: 5286.23, 0.00323249/step, 2.99868 hours remaining, 239.648438 MB of memory in use. ENERGY: 1660400 4018.0054 20596.9096 14420.9210 255.2189 -203334.8696 2612.9779 0.0000 0.0000 51813.7743 -109617.0625 297.7745 -161430.8368 -109264.3892 298.6626 -39.2791 -10.6943 760935.9555 -6.6280 -6.5852 PRESSURE: 1660600 -281.354 -168.737 -73.0377 -168.737 -569.72 -59.677 -73.0385 -59.6778 -494.035 GPRESSURE: 1660600 -195.003 -155.121 -91.1835 -207.907 -577.766 -26.666 6.83257 -109.3 -500.131 PRESSAVG: 1660600 9.65922 -58.4988 10.3442 -58.4988 7.55547 23.357 10.3442 23.357 9.40887 GPRESSAVG: 1660600 10.7657 -58.3294 11.2341 -56.6809 7.95838 24.7405 11.356 20.1667 7.74255 TIMING: 1660600 CPU: 5286.87, 0.00320009/step Wall: 5286.87, 0.00320008/step, 2.96843 hours remaining, 239.648438 MB of memory in use. ENERGY: 1660600 4063.9875 20688.9397 14528.7039 245.8433 -203128.8664 2203.4439 0.0000 0.0000 52187.5735 -109210.3747 299.9227 -161397.9482 -108844.0082 299.7998 -448.3695 -424.3000 762278.3074 8.8745 8.8222 PRESSURE: 1660800 -189.978 128.703 179.333 128.702 -201.453 -75.7181 179.333 -75.7175 -68.6159 GPRESSURE: 1660800 -162.039 137.984 95.497 68.0661 -199.344 -11.3916 112.793 -156.822 -7.80127 PRESSAVG: 1660800 47.1457 -35.0266 12.2679 -35.0266 -14.6232 39.9116 12.2678 39.9117 12.1986 GPRESSAVG: 1660800 46.6331 -32.9118 13.0049 -37.8273 -14.8526 37.8921 10.9238 42.9587 13.1838 TIMING: 1660800 CPU: 5287.51, 0.00320328/step Wall: 5287.51, 0.00320328/step, 2.97122 hours remaining, 239.648438 MB of memory in use. ENERGY: 1660800 3972.9898 20446.2876 14416.8458 261.7472 -203500.5616 2764.5090 0.0000 0.0000 52244.8292 -109393.3530 300.2518 -161638.1822 -109038.6750 300.5353 -153.3491 -123.0614 762138.1827 14.9070 14.9881 PRESSURE: 1661000 -104.562 76.8958 -237.748 76.8957 -110.238 62.167 -237.747 62.1673 191.835 GPRESSURE: 1661000 -104.488 100.417 -303.233 130.874 -60.5568 2.76226 -87.391 118.454 209.106 PRESSAVG: 1661000 47.4503 -31.6392 -61.564 -31.6392 -28.0018 -8.37528 -61.5639 -8.37528 -29.2929 GPRESSAVG: 1661000 47.3971 -31.5081 -62.3581 -31.4908 -28.2107 -10.4295 -61.0297 -6.51132 -29.8941 TIMING: 1661000 CPU: 5288.14, 0.00319109/step Wall: 5288.14, 0.00319109/step, 2.95973 hours remaining, 239.648438 MB of memory in use. ENERGY: 1661000 3940.7842 20581.0364 14561.1260 263.4471 -203326.2001 2410.6921 0.0000 0.0000 52206.2620 -109362.8523 300.0301 -161569.1143 -109010.8331 299.5806 -7.6548 14.6870 760396.1965 -3.2815 -3.5693 PRESSURE: 1661200 -418.477 16.4818 289.617 16.4828 -121.207 15.2916 289.617 15.2919 -469.79 GPRESSURE: 1661200 -384.178 33.9363 258.894 7.6911 -108.275 32.9622 340.091 137.845 -440.256 PRESSAVG: 1661200 -24.2667 -16.3061 -0.516337 -16.3061 -30.4114 37.4831 -0.516328 37.483 6.54624 GPRESSAVG: 1661200 -25.8857 -18.6667 0.752165 -15.2258 -29.9191 40.8821 0.463994 35.8513 7.24285 TIMING: 1661200 CPU: 5288.78, 0.0031806/step Wall: 5288.78, 0.0031806/step, 2.94983 hours remaining, 239.648438 MB of memory in use. ENERGY: 1661200 3987.3184 20520.9278 14523.3054 254.3266 -203408.1075 2568.9145 0.0000 0.0000 52155.4559 -109397.8589 299.7381 -161553.3148 -109036.8601 299.9344 -336.4914 -310.9031 762247.3966 -16.0440 -16.1873 PRESSURE: 1661400 -233.499 -148.841 254.012 -148.84 -144.065 -53.8347 254.012 -53.835 -49.2567 GPRESSURE: 1661400 -296.263 -135.314 253.778 -75.9939 -76.4716 -58.766 103.647 -3.98038 46.7382 PRESSAVG: 1661400 -32.0129 33.0414 42.0021 33.0414 -23.3764 -8.50766 42.0021 -8.50768 -25.7679 GPRESSAVG: 1661400 -30.5185 34.318 41.4529 32.1703 -25.2633 -9.08718 40.7697 -10.0019 -24.7453 TIMING: 1661400 CPU: 5289.42, 0.00319958/step Wall: 5289.42, 0.00319958/step, 2.96725 hours remaining, 239.648438 MB of memory in use. ENERGY: 1661400 3911.9648 20524.2859 14466.1167 261.2016 -203282.6212 2661.0191 0.0000 0.0000 51937.6121 -109520.4210 298.4862 -161458.0331 -109161.0568 299.0757 -142.2738 -108.6655 763149.4178 -27.0524 -26.8423 PRESSURE: 1661600 -92.8204 82.7664 35.4698 82.7671 -70.4591 42.1559 35.4691 42.1562 -131.305 GPRESSURE: 1661600 -106.226 -72.7803 105.124 -21.7471 -29.1175 -36.0809 -27.3582 -22.7 -83.9602 PRESSAVG: 1661600 -23.2346 -29.5729 22.0552 -29.5729 17.7957 -18.6183 22.0552 -18.6182 8.60541 GPRESSAVG: 1661600 -23.0464 -30.3135 21.1027 -30.7476 18.0139 -18.866 22.0645 -16.6247 8.27834 TIMING: 1661600 CPU: 5290.06, 0.00319051/step Wall: 5290.06, 0.00319051/step, 2.95866 hours remaining, 239.648438 MB of memory in use. ENERGY: 1661600 3975.8693 20494.9838 14503.0765 252.0859 -203292.6093 2563.0269 0.0000 0.0000 51947.7544 -109555.8125 298.5445 -161503.5669 -109195.6023 298.8595 -98.1950 -73.1012 761828.5147 1.0555 1.0820 PRESSURE: 1661800 249.195 -38.7971 -108.549 -38.7971 -54.5079 -193.05 -108.55 -193.049 146.336 GPRESSURE: 1661800 205.077 -68.6365 -84.5945 -25.4333 6.3525 -159.858 -252.382 -72.0823 197.761 PRESSAVG: 1661800 32.4466 -46.6495 -44.6987 -46.6495 49.2111 -4.56352 -44.6986 -4.56354 7.71936 GPRESSAVG: 1661800 32.4463 -44.4126 -45.1219 -44.8714 51.0872 -4.80371 -45.1366 -6.94859 5.2087 TIMING: 1661800 CPU: 5290.69, 0.00317625/step Wall: 5290.69, 0.00317625/step, 2.94527 hours remaining, 239.648438 MB of memory in use. ENERGY: 1661800 3945.6302 20527.3369 14523.3674 233.5840 -203673.0191 2688.2200 0.0000 0.0000 52322.0579 -109432.8228 300.6956 -161754.8807 -109076.0011 299.3246 113.6746 136.3969 760729.8359 29.7923 29.5807 PRESSURE: 1662000 -208.164 -92.401 100.004 -92.402 -510.351 -140.448 100.004 -140.447 -184.701 GPRESSURE: 1662000 -141.072 -30.7256 162.744 -100.078 -499.12 -235.38 23.9606 -224.56 -174.343 PRESSAVG: 1662000 33.6131 35.2235 -1.78345 35.2235 -40.2917 10.5839 -1.78347 10.5839 5.38368 GPRESSAVG: 1662000 34.4661 33.8821 1.01556 33.6192 -43.0583 9.86958 -3.82387 10.6374 7.3813 TIMING: 1662000 CPU: 5291.33, 0.00317636/step Wall: 5291.33, 0.00317636/step, 2.94519 hours remaining, 239.648438 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: 1662000 3966.3808 20490.2313 14480.0700 243.9974 -202857.8617 2176.2347 0.0000 0.0000 52115.0967 -109385.8508 299.5062 -161500.9475 -109021.2630 299.6753 -301.0717 -271.5119 760900.2992 -0.4316 -0.4036 PRESSURE: 1662200 337.15 60.3654 62.8122 60.3648 218.949 -7.70962 62.8124 -7.70974 177.057 GPRESSURE: 1662200 373.156 66.2996 -45.3012 70.3915 228.937 -134.45 61.744 45.3627 186.467 PRESSAVG: 1662200 -14.6777 15.702 10.416 15.702 -21.6555 -59.2983 10.4161 -59.2982 -1.20719 GPRESSAVG: 1662200 -14.7827 13.6633 8.36586 18.498 -21.1231 -58.2322 14.3646 -59.4686 -1.58329 TIMING: 1662200 CPU: 5291.97, 0.00319883/step Wall: 5291.97, 0.00319883/step, 2.96585 hours remaining, 239.648438 MB of memory in use. ENERGY: 1662200 3922.5070 20561.3505 14461.4134 245.3116 -203462.7322 2559.4482 0.0000 0.0000 52175.2588 -109537.4426 299.8519 -161712.7014 -109170.7990 299.3823 244.3853 262.8533 760888.3431 -12.5135 -12.4964 PRESSURE: 1662400 -144.837 28.5247 135.576 28.5248 -282.096 202.503 135.576 202.504 303.037 GPRESSURE: 1662400 -151.012 34.336 138.283 48.6399 -204.023 171.579 -30.9129 209.911 304.65 PRESSAVG: 1662400 33.1434 -19.6649 9.33022 -19.665 -12.351 -30.0392 9.3302 -30.0392 -16.8084 GPRESSAVG: 1662400 32.0024 -19.0526 11.0686 -21.8664 -11.225 -29.4954 5.638 -30.9753 -16.407 TIMING: 1662400 CPU: 5292.61, 0.0031978/step Wall: 5292.61, 0.0031978/step, 2.96472 hours remaining, 239.648438 MB of memory in use. ENERGY: 1662400 3982.7206 20618.5965 14425.7830 254.0911 -203243.6068 2431.3667 0.0000 0.0000 52062.5152 -109468.5336 299.2040 -161531.0488 -109095.9391 299.3462 -41.2986 -16.7950 762052.3189 1.3280 1.4568 PRESSURE: 1662600 -50.8005 -47.8774 33.3471 -47.8775 205 -252.538 33.3469 -252.538 170.862 GPRESSURE: 1662600 -42.2646 18.4172 104.739 -137.1 254.496 -91.1807 117.178 -155.945 187.822 PRESSAVG: 1662600 -22.843 -3.48203 -24.1617 -3.48198 10.8479 1.29023 -24.1617 1.29025 4.90528 GPRESSAVG: 1662600 -22.719 -4.18204 -25.152 -2.64271 11.1242 -0.839417 -22.9615 3.88633 5.00059 TIMING: 1662600 CPU: 5293.24, 0.00317453/step Wall: 5293.24, 0.00317453/step, 2.94297 hours remaining, 239.648438 MB of memory in use. ENERGY: 1662600 3963.0449 20521.0895 14504.1860 242.5768 -203439.9104 2787.1929 0.0000 0.0000 51935.4881 -109486.3323 298.4740 -161421.8204 -109125.0899 299.0613 108.3536 133.3510 761084.0640 -2.3633 -2.1981 PRESSURE: 1662800 35.8892 -250.566 -90.274 -250.566 -211.357 -108.433 -90.274 -108.433 263.422 GPRESSURE: 1662800 108.442 -233.435 -167.272 -225.777 -222.239 -242.807 -30.302 -5.54046 269.631 PRESSAVG: 1662800 3.56037 -43.4435 -2.10752 -43.4435 -34.3379 -2.11002 -2.10757 -2.11007 -23.4288 GPRESSAVG: 1662800 4.51456 -41.2497 -2.07302 -42.0325 -34.7194 -0.568296 -0.763789 -2.76986 -24.1273 TIMING: 1662800 CPU: 5293.88, 0.00319436/step Wall: 5293.88, 0.00319436/step, 2.96118 hours remaining, 239.648438 MB of memory in use. ENERGY: 1662800 3913.6109 20456.4016 14599.1799 238.8269 -203577.8751 2720.4809 0.0000 0.0000 51951.6165 -109697.7583 298.5667 -161649.3749 -109340.6492 298.9069 29.3181 51.9444 761799.6483 -18.0688 -18.1107 PRESSURE: 1663000 204.993 152.518 -135.432 152.518 54.3258 355.509 -135.432 355.508 -187.455 GPRESSURE: 1663000 254.495 -19.7232 -143.198 125.556 -3.4992 295.567 -58.48 330.901 -111.685 PRESSAVG: 1663000 35.2245 -55.8814 26.4728 -55.8814 -22.554 -1.62303 26.4728 -1.62298 3.84826 GPRESSAVG: 1663000 33.5407 -55.5691 26.7283 -58.2097 -21.758 -3.43416 25.7108 -1.97069 5.00903 TIMING: 1663000 CPU: 5294.52, 0.00317702/step Wall: 5294.52, 0.00317702/step, 2.94492 hours remaining, 239.648438 MB of memory in use. ENERGY: 1663000 4016.6921 20472.6113 14449.7638 246.8768 -203639.6410 2629.5012 0.0000 0.0000 52177.8969 -109646.2989 299.8671 -161824.1959 -109276.8438 298.8550 23.9546 46.4369 759978.6271 5.5063 5.5973 PRESSURE: 1663200 -339.404 182.28 -101.772 182.28 -79.7298 90.3246 -101.772 90.3249 -118.823 GPRESSURE: 1663200 -295.44 122.547 56.048 149.766 -66.0338 185.976 -188.066 135.559 -99.3597 PRESSAVG: 1663200 15.3162 -54.8944 -46.5444 -54.8945 -28.777 52.9946 -46.5444 52.9947 -0.821381 GPRESSAVG: 1663200 16.7067 -55.743 -47.4615 -54.791 -29.5133 55.1147 -45.7361 52.8816 -1.08911 TIMING: 1663200 CPU: 5295.15, 0.00317667/step Wall: 5295.15, 0.00317667/step, 2.94442 hours remaining, 239.648438 MB of memory in use. ENERGY: 1663200 3980.4406 20556.6570 14491.3398 246.3453 -203105.5639 2284.5041 0.0000 0.0000 51810.2590 -109736.0180 297.7543 -161546.2770 -109376.6759 298.5920 -179.3191 -153.6112 762675.3570 -4.7607 -4.6319 PRESSURE: 1663400 213.84 -225.635 -70.6267 -225.635 88.2908 -49.5531 -70.6267 -49.5533 -47.9276 GPRESSURE: 1663400 193.653 -207.655 -9.22098 -154.883 190.373 -21.245 49.053 54.6739 -15.8024 PRESSAVG: 1663400 52.4851 -27.4813 18.0682 -27.4812 -30.8861 3.96073 18.0682 3.96072 -31.0564 GPRESSAVG: 1663400 51.8628 -28.2442 18.1328 -27.0617 -30.2216 2.66377 18.57 2.56679 -31.1952 TIMING: 1663400 CPU: 5295.79, 0.00319072/step Wall: 5295.79, 0.00319072/step, 2.95727 hours remaining, 239.648438 MB of memory in use. ENERGY: 1663400 3967.2890 20615.4821 14458.2634 239.9545 -203948.4870 2829.0174 0.0000 0.0000 51901.8699 -109936.6107 298.2808 -161838.4806 -109576.7265 298.1894 84.7344 122.7412 760784.9630 -3.1525 -3.1847 PRESSURE: 1663600 -236.532 -49.9998 -25.2865 -49.9996 -332.419 -68.7556 -25.2869 -68.7565 -266.789 GPRESSURE: 1663600 -221.009 -194.819 34.1177 -44.9383 -271.377 -17.865 -125.403 -25.7097 -271.068 PRESSAVG: 1663600 42.9369 -66.2413 17.9848 -66.2414 -46.4108 33.6916 17.9848 33.6916 -11.0233 GPRESSAVG: 1663600 43.2196 -66.4074 19.7651 -68.1248 -47.0545 33.8347 17.0152 34.9314 -11.1897 TIMING: 1663600 CPU: 5296.42, 0.00316335/step Wall: 5296.42, 0.00316335/step, 2.93172 hours remaining, 239.648438 MB of memory in use. ENERGY: 1663600 3917.4874 20425.3906 14551.5995 233.2668 -203478.5636 2543.8264 0.0000 0.0000 51849.1080 -109957.8849 297.9775 -161806.9929 -109598.5261 298.0834 -278.5798 -254.4844 761423.8509 -4.8324 -5.0082 PRESSURE: 1663800 -40.7367 42.6405 -84.1337 42.6405 -255.816 113.635 -84.1337 113.634 -152.928 GPRESSURE: 1663800 -86.6558 70.8435 -42.5221 87.0956 -154.945 128.729 -115.056 82.651 -139.159 PRESSAVG: 1663800 12.4121 -28.6334 3.3347 -28.6334 -47.8455 34.7957 3.3347 34.7957 3.60149 GPRESSAVG: 1663800 11.6513 -28.1571 2.32784 -26.2571 -47.8894 33.6355 1.90433 34.243 3.7777 TIMING: 1663800 CPU: 5297.05, 0.00314907/step Wall: 5297.05, 0.00314907/step, 2.91831 hours remaining, 239.648438 MB of memory in use. ENERGY: 1663800 4007.8614 20515.9646 14515.5223 241.5214 -203324.8099 2345.5077 0.0000 0.0000 51702.4060 -109996.0266 297.1344 -161698.4326 -109632.2699 297.8772 -149.8269 -126.9201 762034.2566 -10.6106 -10.8201 PRESSURE: 1664000 210.739 118.448 -109.53 118.447 27.4102 -168.396 -109.53 -168.396 -111.057 GPRESSURE: 1664000 234.677 93.1852 -117.62 120.715 11.4968 -184.133 -50.4775 -113.014 -33.3749 PRESSAVG: 1664000 17.5194 21.4627 2.34321 21.4626 -6.57464 14.2539 2.34322 14.254 -14.6713 GPRESSAVG: 1664000 17.7321 22.323 2.38376 19.534 -5.33467 14.4972 2.47158 13.2746 -15.8072 TIMING: 1664000 CPU: 5297.68, 0.00315548/step Wall: 5297.68, 0.00315548/step, 2.92408 hours remaining, 239.648438 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: 1664000 3952.6926 20405.8170 14494.6221 258.1666 -203564.0702 2490.4774 0.0000 0.0000 52035.4738 -109926.8208 299.0486 -161962.2947 -109560.2531 298.0786 42.3640 70.9329 760042.2637 -1.2422 -1.1366 PRESSURE: 1664200 70.4534 215.263 -34.4119 215.262 -261.947 -66.2584 -34.4111 -66.2589 -189.74 GPRESSURE: 1664200 107.001 188.365 -10.8428 176.124 -227.731 -87.0044 2.47791 -3.25929 -203.273 PRESSAVG: 1664200 14.414 -13.1651 38.9454 -13.165 -23.4346 26.918 38.9454 26.918 4.00748 GPRESSAVG: 1664200 14.5382 -14.5736 37.6683 -9.0393 -22.7916 26.4973 39.0149 29.643 3.56305 TIMING: 1664200 CPU: 5298.32, 0.00315934/step Wall: 5298.32, 0.00315934/step, 2.92748 hours remaining, 239.648438 MB of memory in use. ENERGY: 1664200 4051.0050 20455.4469 14468.1173 224.6480 -203742.9311 2525.9003 0.0000 0.0000 52096.6012 -109921.2123 299.3999 -162017.8136 -109569.9572 298.7125 -127.0778 -108.0010 761197.4790 -1.6711 -1.5635 LDB: ============= START OF LOAD BALANCING ============== 5310.77 LDB: ============== END OF LOAD BALANCING =============== 5310.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5310.77 LDB: ============= START OF LOAD BALANCING ============== 5311.09 LDB: Largest compute 7059 load 0.036876 is 18.9% of average load 0.195107 LDB: Average compute 0.004405 is 2.3% of average load 0.195107 LDB: TIME 5311.09 LOAD: AVG 0.195107 MAX 0.211571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.035 MB LDB: TIME 5311.09 LOAD: AVG 0.195107 MAX 0.211571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.035 MB LDB: TIME 5311.09 LOAD: AVG 0.195107 MAX 0.211571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.035 MB LDB: ============== END OF LOAD BALANCING =============== 5311.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5311.1 PRESSURE: 1664400 103.522 -355.538 -288.688 -355.539 57.0569 3.14044 -288.69 3.13996 155.864 GPRESSURE: 1664400 150.683 -357.276 -369.186 -384.024 60.4083 21.896 -331.437 -43.2387 169.872 PRESSAVG: 1664400 -44.183 52.3928 -35.7064 52.3927 40.8608 11.1973 -35.7064 11.1974 17.4213 GPRESSAVG: 1664400 -43.8189 54.4012 -35.7169 50.0452 39.4131 11.0373 -35.5923 8.27149 18.5974 TIMING: 1664400 CPU: 5298.96, 0.00323315/step Wall: 5298.96, 0.00323315/step, 2.9957 hours remaining, 240.292969 MB of memory in use. ENERGY: 1664400 4022.0333 20458.0659 14581.3138 252.7270 -203821.2668 2736.0639 0.0000 0.0000 51886.8271 -109884.2358 298.1943 -161771.0629 -109532.5196 299.1524 105.4811 126.9881 760221.2766 4.6997 4.7305 PRESSURE: 1664600 -258.483 -8.6783 -35.4281 -8.67811 137.891 453.354 -35.4286 453.355 301.683 GPRESSURE: 1664600 -161.06 -101.118 -17.985 107.43 91.3848 364.24 57.6451 351.505 337.559 PRESSAVG: 1664600 -44.5498 -39.437 -11.4396 -39.437 12.4314 26.5852 -11.4396 26.5852 7.21013 GPRESSAVG: 1664600 -44.5983 -39.644 -11.7175 -39.2666 12.0051 25.9645 -11.099 27.6061 7.36282 TIMING: 1664600 CPU: 5299.6, 0.00316278/step Wall: 5299.6, 0.00316278/step, 2.93031 hours remaining, 240.292969 MB of memory in use. ENERGY: 1664600 3930.7956 20597.5139 14534.7705 237.6998 -203847.2994 2797.5343 0.0000 0.0000 51689.6937 -110059.2915 297.0614 -161748.9852 -109710.7026 297.9116 60.3637 89.2945 761013.8156 -8.3028 -8.4101 PRESSURE: 1664800 -41.1076 -14.421 102.702 -14.4207 -173.977 101.543 102.701 101.543 113.271 GPRESSURE: 1664800 45.5487 -1.54189 93.4162 -157.786 -79.2471 90.3263 2.78048 182.113 30.5518 PRESSAVG: 1664800 -20.0605 -40.8289 4.56295 -40.8288 -2.38181 20.5799 4.56292 20.58 8.38044 GPRESSAVG: 1664800 -19.1371 -42.2607 5.32773 -39.0852 -2.33055 21.2285 4.92172 18.7579 7.27991 TIMING: 1664800 CPU: 5300.23, 0.00316254/step Wall: 5300.23, 0.00316254/step, 2.92991 hours remaining, 240.292969 MB of memory in use. ENERGY: 1664800 3914.9741 20507.7632 14529.6675 255.9379 -203732.7633 2653.3390 0.0000 0.0000 51953.0863 -109917.9951 298.5751 -161871.0814 -109554.9857 298.6077 -33.9378 -1.0489 760120.8584 -4.6873 -4.7292 PRESSURE: 1665000 113.663 -228.569 -104.187 -228.569 226.427 -37.6498 -104.188 -37.65 115.454 GPRESSURE: 1665000 103.371 -82.9642 -91.318 -196.09 252.875 41.9645 -110.531 -4.84817 169.755 PRESSAVG: 1665000 -14.628 -50.2715 -24.6286 -50.2715 18.2794 14.531 -24.6286 14.531 -4.41247 GPRESSAVG: 1665000 -15.0449 -50.712 -23.9645 -51.4682 16.7448 14.5716 -25.8274 15.5958 -2.18213 TIMING: 1665000 CPU: 5300.87, 0.00319798/step Wall: 5300.87, 0.00319798/step, 2.96257 hours remaining, 240.292969 MB of memory in use. ENERGY: 1665000 3951.0380 20370.6439 14496.7253 260.3402 -203954.5590 2939.3385 0.0000 0.0000 51680.3328 -110256.1402 297.0076 -161936.4731 -109897.1628 298.1336 151.8479 175.3339 760595.8727 -0.2537 -0.1607 PRESSURE: 1665200 93.9801 -222.02 -43.5905 -222.02 -145.875 -19.8875 -43.5906 -19.8879 -33.1006 GPRESSURE: 1665200 44.5771 -179.031 -40.3249 -169.544 -78.5113 -47.5554 24.3415 -1.06707 13.5141 PRESSAVG: 1665200 44.2427 -25.3781 5.98094 -25.3782 -34.1261 -19.9304 5.98096 -19.9304 7.67348 GPRESSAVG: 1665200 42.16 -23.2212 3.19697 -25.9592 -31.6439 -20.5165 9.6753 -17.2297 6.93955 TIMING: 1665200 CPU: 5301.5, 0.00318383/step Wall: 5301.5, 0.00318383/step, 2.94929 hours remaining, 240.292969 MB of memory in use. ENERGY: 1665200 3929.5216 20582.5049 14407.2950 252.1442 -203580.2417 2439.0074 0.0000 0.0000 51694.8334 -110274.9353 297.0909 -161969.7687 -109909.2350 297.6489 -28.3317 -6.8067 762185.8632 5.9300 5.8185 PRESSURE: 1665400 -114.933 -76.5424 -104.348 -76.543 -1.77592 123.841 -104.348 123.841 138.044 GPRESSURE: 1665400 -58.0086 -69.7544 -131.508 39.5709 2.93723 117.619 5.47032 62.6026 180.85 PRESSAVG: 1665400 43.8815 -9.31966 9.12867 -9.31969 -39.0327 1.1513 9.12871 1.15129 -5.12037 GPRESSAVG: 1665400 46.4809 -10.2529 11.4088 -9.34901 -40.4587 0.942009 6.77427 -0.170983 -5.90727 TIMING: 1665400 CPU: 5302.14, 0.00316545/step Wall: 5302.14, 0.00316545/step, 2.93208 hours remaining, 240.292969 MB of memory in use. ENERGY: 1665400 3963.3275 20315.5451 14476.5608 239.3587 -203657.0093 2619.5859 0.0000 0.0000 51932.4629 -110110.1682 298.4566 -162042.6312 -109752.0011 297.9493 7.1120 41.9262 759119.8657 -0.0905 0.0383 PRESSURE: 1665600 143.445 138.079 75.2524 138.079 -32.9063 -57.9258 75.2524 -57.926 -247.891 GPRESSURE: 1665600 133.009 85.7089 66.0957 -8.67662 59.0081 -65.7869 140.072 -69.6899 -221.323 PRESSAVG: 1665600 83.7496 -55.9416 -14.0728 -55.9416 -65.4768 -10.4009 -14.0728 -10.4009 -0.0100786 GPRESSAVG: 1665600 81.9147 -56.7933 -16.1374 -55.131 -64.1252 -10.4633 -13.2054 -11.0131 0.889806 TIMING: 1665600 CPU: 5302.77, 0.0031573/step Wall: 5302.77, 0.0031573/step, 2.92436 hours remaining, 240.292969 MB of memory in use. ENERGY: 1665600 4009.8338 20354.6501 14482.8942 266.7237 -203339.4249 2326.9407 0.0000 0.0000 51849.6483 -110048.7341 297.9806 -161898.3824 -109694.5992 298.0687 -45.7843 -9.7687 760626.7605 6.0876 6.2264 PRESSURE: 1665800 53.4899 -67.0447 -40.2002 -67.0457 -77.8974 -351.859 -40.1997 -351.859 -64.84 GPRESSURE: 1665800 22.7939 -21.0256 -9.04813 -161.987 -99.0849 -310.128 -8.74319 -337.013 56.9607 PRESSAVG: 1665800 46.4049 21.1405 12.1793 21.1405 -20.3971 12.6538 12.1794 12.6537 -4.90418 GPRESSAVG: 1665800 47.994 22.3555 14.4254 18.1913 -21.0477 12.3263 11.8707 12.9357 -6.29581 TIMING: 1665800 CPU: 5303.4, 0.00315887/step Wall: 5303.4, 0.00315887/step, 2.92564 hours remaining, 240.292969 MB of memory in use. ENERGY: 1665800 3900.1088 20349.1804 14454.8977 242.4615 -203238.2174 2378.7775 0.0000 0.0000 51902.7036 -110010.0879 298.2856 -161912.7915 -109641.9659 298.1276 -29.7492 -6.4434 759904.7030 7.0345 6.8835 PRESSURE: 1666000 97.5998 -138.706 -98.354 -138.706 8.7325 -26.3812 -98.3547 -26.3801 296.312 GPRESSURE: 1666000 143.789 -27.5903 -60.3592 -14.4642 40.9872 -59.7534 -38.1993 -143.035 311.742 PRESSAVG: 1666000 32.1159 -35.5692 9.24821 -35.5691 -9.43539 -2.87747 9.24813 -2.8775 26.9096 GPRESSAVG: 1666000 31.1314 -37.2008 9.43538 -33.8775 -9.0217 -2.41258 8.06714 -2.24231 27.1175 TIMING: 1666000 CPU: 5304.04, 0.00319765/step Wall: 5304.04, 0.00319765/step, 2.96138 hours remaining, 240.292969 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: 1666000 3959.3436 20518.2181 14448.6263 260.0761 -203542.0080 2600.6127 0.0000 0.0000 51766.2609 -109988.8702 297.5014 -161755.1311 -109631.3832 298.3087 134.2146 165.5059 759399.7029 16.5300 16.4091 PRESSURE: 1666200 -8.75713 -30.2021 -64.2786 -30.203 -52.686 160.052 -64.279 160.054 305.24 GPRESSURE: 1666200 89.2328 32.2555 -43.8867 64.8838 -41.1239 120.112 -123.576 257.714 285.627 PRESSAVG: 1666200 24.5196 11.3076 38.4285 11.3077 12.1277 21.5601 38.4285 21.5602 0.952017 GPRESSAVG: 1666200 24.2917 12.3832 38.1372 11.9956 11.6601 20.6366 37.2511 19.3937 1.67006 TIMING: 1666200 CPU: 5304.68, 0.00321159/step Wall: 5304.68, 0.00321159/step, 2.97411 hours remaining, 240.292969 MB of memory in use. ENERGY: 1666200 3969.8972 20602.3999 14441.8311 227.3310 -203783.8607 2688.3116 0.0000 0.0000 51977.2224 -109876.8676 298.7138 -161854.0899 -109517.7728 298.6449 81.2656 111.2453 758996.9117 12.5331 12.5406 PRESSURE: 1666400 0.835605 22.2494 -154.299 22.2495 315.155 76.3324 -154.298 76.332 172.751 GPRESSURE: 1666400 71.4171 -26.9867 -105.22 -54.7749 358.954 119.98 -185.466 93.8419 136.914 PRESSAVG: 1666400 23.7677 -63.071 36.0803 -63.071 -31.203 -20.3939 36.0803 -20.394 2.08539 GPRESSAVG: 1666400 25.6307 -63.8366 35.237 -64.1211 -31.8541 -18.7604 36.6718 -20.5833 0.994142 TIMING: 1666400 CPU: 5305.32, 0.00319559/step Wall: 5305.32, 0.00319559/step, 2.95912 hours remaining, 240.292969 MB of memory in use. ENERGY: 1666400 3959.2243 20480.6868 14502.4504 280.1326 -203493.3969 2618.6963 0.0000 0.0000 51722.9829 -109929.2235 297.2527 -161652.2064 -109574.7443 298.8428 162.9139 189.0951 759362.2923 -1.7833 -1.7431 PRESSURE: 1666600 16.2051 61.0727 -111.464 61.0722 -121.088 11.6908 -111.464 11.6921 -74.3977 GPRESSURE: 1666600 69.5896 16.746 -99.0781 87.8036 -125.532 9.99547 -53.6614 106.55 -34.3921 PRESSAVG: 1666600 29.3335 -23.2093 17.5738 -23.2092 -65.0996 -28.7945 17.5738 -28.7945 -33.3917 GPRESSAVG: 1666600 27.1817 -22.7382 17.3762 -22.8162 -63.512 -30.9001 18.091 -24.5428 -32.8007 TIMING: 1666600 CPU: 5305.96, 0.00317766/step Wall: 5305.96, 0.00317766/step, 2.94234 hours remaining, 240.292969 MB of memory in use. ENERGY: 1666600 3928.8573 20450.9664 14426.9876 246.5328 -203607.2519 2637.7527 0.0000 0.0000 51757.9432 -110158.2119 297.4536 -161916.1552 -109797.5836 297.7574 -59.7603 -30.1113 758585.4085 -23.0526 -23.0436 PRESSURE: 1666800 333.611 -48.9732 233.27 -48.9735 20.8905 14.2972 233.27 14.2967 349.546 GPRESSURE: 1666800 372.776 19.9901 104.934 -49.5825 31.3076 23.7808 43.937 -40.7539 393.621 PRESSAVG: 1666800 21.4417 -41.1605 -20.9258 -41.1605 -26.4185 -5.73277 -20.9258 -5.7328 3.25962 GPRESSAVG: 1666800 22.1442 -42.4484 -20.8834 -40.5151 -26.5205 -4.18018 -21.105 -10.3033 3.01421 TIMING: 1666800 CPU: 5306.59, 0.00318372/step Wall: 5306.59, 0.00318372/step, 2.94777 hours remaining, 240.292969 MB of memory in use. ENERGY: 1666800 3938.1928 20605.8955 14437.7115 247.5548 -203923.0190 2788.9829 0.0000 0.0000 52066.2263 -109838.4551 299.2253 -161904.6814 -109480.6555 298.5147 234.6827 265.9017 759299.7524 -0.5724 -0.4541 PRESSURE: 1667000 -524.673 -7.19453 103.92 -7.19391 -141.476 -143.72 103.921 -143.719 -68.935 GPRESSURE: 1667000 -507.418 46.0781 75.8468 77.3336 -110.232 -99.5702 85.0045 -60.0029 -49.3563 PRESSAVG: 1667000 16.2601 -36.4155 0.0730277 -36.4155 22.7584 -45.4456 0.073028 -45.4456 28.9715 GPRESSAVG: 1667000 16.6271 -35.6284 -0.941301 -35.6994 22.0681 -44.0151 -0.88315 -44.6253 29.9368 TIMING: 1667000 CPU: 5307.23, 0.0031903/step Wall: 5307.23, 0.0031903/step, 2.95368 hours remaining, 240.292969 MB of memory in use. ENERGY: 1667000 3928.5637 20489.5152 14404.3128 242.7946 -203360.4292 2226.4323 0.0000 0.0000 52196.3734 -109872.4372 299.9733 -162068.8106 -109509.3897 298.7480 -245.0279 -222.3355 761365.1639 22.6634 22.8774 PRESSURE: 1667200 -330.854 20.3925 -57.8994 20.3923 13.4467 19.8353 -57.8996 19.8356 -206.099 GPRESSURE: 1667200 -317.124 -12.8658 -98.6034 -6.08459 36.2835 34.583 -10.9494 36.9012 -175.223 PRESSAVG: 1667200 -16.9388 -1.99577 -13.9336 -1.99576 10.7163 15.009 -13.9336 15.009 -1.98542 GPRESSAVG: 1667200 -17.1615 -1.06237 -14.1499 -3.11393 10.8557 13.7238 -11.4009 16.0912 -1.6758 TIMING: 1667200 CPU: 5307.88, 0.0032337/step Wall: 5307.88, 0.0032337/step, 2.99369 hours remaining, 240.292969 MB of memory in use. ENERGY: 1667200 3917.3297 20609.1876 14466.9406 233.7149 -203056.6702 2158.9566 0.0000 0.0000 51743.8259 -109926.7149 297.3725 -161670.5408 -109563.0216 298.3729 -174.5020 -152.0212 760844.3529 -2.7360 -2.6605 PRESSURE: 1667400 -206.412 -91.0317 -81.9362 -91.0308 -36.2076 -54.8739 -81.9366 -54.8739 -194.57 GPRESSURE: 1667400 -165.771 -114.161 -64.3894 2.24285 72.101 -116.319 -107.071 -81.188 -219.9 PRESSAVG: 1667400 -25.0801 -55.848 22.2802 -55.8479 14.6888 -15.6225 22.2802 -15.6225 -7.0776 GPRESSAVG: 1667400 -24.356 -56.8902 24.4424 -55.8683 14.9307 -14.6122 19.2705 -16.3615 -7.64869 TIMING: 1667400 CPU: 5308.52, 0.00322632/step Wall: 5308.52, 0.00322632/step, 2.98667 hours remaining, 240.292969 MB of memory in use. ENERGY: 1667400 3943.6853 20429.1225 14475.9080 224.1507 -203090.4327 2087.6313 0.0000 0.0000 52044.4271 -109885.5079 299.1000 -161929.9349 -109523.6909 297.9489 -145.7299 -104.5231 759856.4070 -5.8230 -5.6913 PRESSURE: 1667600 -113.789 -0.770896 -7.79844 -0.771494 -12.2493 -80.3465 -7.79789 -80.3472 -63.5095 GPRESSURE: 1667600 -105.453 53.8817 -76.4313 27.9699 86.1086 -187.669 44.031 -2.61033 -71.0519 PRESSAVG: 1667600 -31.5773 24.6271 13.2233 24.627 35.9509 -43.0936 13.2233 -43.0936 -5.51384 GPRESSAVG: 1667600 -31.2279 23.502 13.2471 24.8495 35.0177 -44.3145 14.9067 -44.5919 -5.05835 TIMING: 1667600 CPU: 5309.16, 0.00320109/step Wall: 5309.16, 0.00320109/step, 2.96314 hours remaining, 240.292969 MB of memory in use. ENERGY: 1667600 3954.7159 20625.2025 14519.3582 263.4093 -203844.9953 2774.4755 0.0000 0.0000 51919.1897 -109788.6443 298.3803 -161707.8340 -109434.2733 298.9820 -63.1825 -30.1321 758076.7901 -0.3801 -0.4229 PRESSURE: 1667800 284.02 -66.7991 -83.9759 -66.7986 592.952 -71.7583 -83.9763 -71.7579 80.3381 GPRESSURE: 1667800 282.757 -80.8549 -23.72 -69.3822 580.624 16.5756 4.55355 -103.019 176.162 PRESSAVG: 1667800 36.9867 -34.6681 -6.94401 -34.6681 -53.244 -47.482 -6.94402 -47.4821 -30.501 GPRESSAVG: 1667800 37.0303 -32.8802 -9.18026 -35.6762 -52.7951 -47.4418 -5.01716 -46.2844 -30.7993 TIMING: 1667800 CPU: 5309.8, 0.00320492/step Wall: 5309.8, 0.00320492/step, 2.96651 hours remaining, 240.292969 MB of memory in use. ENERGY: 1667800 3928.5430 20555.1209 14410.3069 248.4882 -203802.5097 2808.9506 0.0000 0.0000 52143.3252 -109707.7749 299.6684 -161851.1001 -109341.7929 299.0191 319.1035 346.5146 757998.8079 -15.5861 -15.5214 PRESSURE: 1668000 -40.8405 1.99663 -178.612 1.99647 -187.471 -15.8253 -178.611 -15.8261 130.56 GPRESSURE: 1668000 -119.229 -32.8888 -128.725 -85.5469 -41.6295 -41.8609 -154.457 -102.282 137.196 PRESSAVG: 1668000 -20.6254 -0.700446 9.64819 -0.70048 39.0695 -101.269 9.64823 -101.269 14.3243 GPRESSAVG: 1668000 -21.5552 -0.799171 10.4067 -2.32048 38.7022 -101.877 9.22819 -101.837 15.2893 TIMING: 1668000 CPU: 5310.44, 0.00320027/step Wall: 5310.44, 0.00320027/step, 2.96202 hours remaining, 240.292969 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: 1668000 3983.7226 20448.9633 14475.8914 256.7007 -203350.5733 2437.3099 0.0000 0.0000 52228.5560 -109519.4293 300.1582 -161747.9853 -109153.3798 299.3870 -32.5841 -7.8875 759829.6227 10.9228 10.8121 PRESSURE: 1668200 144.643 39.698 -117.27 39.6978 -395.535 42.1735 -117.271 42.1738 -538.733 GPRESSURE: 1668200 115.16 82.7195 -191.323 39.758 -354.622 20.5135 -103.693 -92.1551 -481.037 PRESSAVG: 1668200 29.6263 -74.1078 61.7857 -74.1078 -17.2633 -32.8798 61.7856 -32.8798 -13.36 GPRESSAVG: 1668200 29.7778 -74.8423 61.1184 -71.6109 -16.5705 -33.5665 60.59 -32.5817 -13.712 TIMING: 1668200 CPU: 5311.08, 0.00319438/step Wall: 5311.08, 0.00319438/step, 2.9564 hours remaining, 240.292969 MB of memory in use. ENERGY: 1668200 3922.7036 20635.3462 14477.0388 253.6364 -203415.3380 2538.7048 0.0000 0.0000 52184.9669 -109402.9414 299.9077 -161587.9082 -109033.7777 299.6881 -263.2083 -240.1664 759840.0380 -0.3323 -0.1682 LDB: ============= START OF LOAD BALANCING ============== 5323.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5323.54 LDB: =============== DONE WITH MIGRATION ================ 5323.54 LDB: ============= START OF LOAD BALANCING ============== 5323.86 LDB: Largest compute 7059 load 0.035706 is 18.3% of average load 0.195100 LDB: Average compute 0.004422 is 2.3% of average load 0.195100 LDB: TIME 5323.87 LOAD: AVG 0.1951 MAX 0.212376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.125 MB LDB: TIME 5323.87 LOAD: AVG 0.1951 MAX 0.212376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.195 MB LDB: TIME 5323.87 LOAD: AVG 0.1951 MAX 0.212376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.195 MB LDB: ============== END OF LOAD BALANCING =============== 5323.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5323.87 PRESSURE: 1668400 148.563 -244.254 112.362 -244.255 -42.3747 -78.5944 112.362 -78.595 331.979 GPRESSURE: 1668400 153.847 -306.074 207.273 -125.142 -3.94554 -92.3314 77.8298 -72.3782 364.074 PRESSAVG: 1668400 -11.4327 3.52545 -8.55122 3.52543 -15.8472 -7.68364 -8.55119 -7.68367 -2.0935 GPRESSAVG: 1668400 -10.8564 4.31277 -6.99762 3.16547 -15.8803 -7.25348 -9.18906 -8.6128 -2.60595 TIMING: 1668400 CPU: 5311.74, 0.00327416/step Wall: 5311.74, 0.00327416/step, 3.03005 hours remaining, 241.250000 MB of memory in use. ENERGY: 1668400 3842.8863 20387.1362 14429.8240 241.8920 -203234.9282 2457.0393 0.0000 0.0000 52443.4558 -109432.6947 301.3933 -161876.1504 -109065.2798 299.3061 146.0557 171.3252 758183.5732 -9.7911 -9.7809 PRESSURE: 1668600 -264.31 114.879 -368.065 114.88 -64.3386 -268.86 -368.064 -268.86 103.865 GPRESSURE: 1668600 -260.593 195.632 -404.443 94.0613 -50.3144 -243.171 -192.862 -193.224 178.633 PRESSAVG: 1668600 39.643 -2.03187 -5.08582 -2.03192 -12.4176 0.311606 -5.08588 0.31163 10.4746 GPRESSAVG: 1668600 39.7627 -3.23345 -5.31508 -0.351745 -11.6986 1.27156 -4.48363 1.91586 9.96789 TIMING: 1668600 CPU: 5312.39, 0.00323692/step Wall: 5312.39, 0.00323692/step, 2.99541 hours remaining, 241.453125 MB of memory in use. ENERGY: 1668600 3933.2542 20625.3934 14487.5018 235.2612 -203262.7545 2515.8922 0.0000 0.0000 51819.7763 -109645.6755 297.8090 -161465.4518 -109279.0695 299.3052 -74.9279 -44.0917 761559.9900 12.5667 12.6773 PRESSURE: 1668800 127.827 -162.36 44.3121 -162.359 42.1051 -255.859 44.3116 -255.858 165.208 GPRESSURE: 1668800 116.722 -242.386 -55.5909 -140.189 77.62 -255.491 165.693 -60.1048 221.12 PRESSAVG: 1668800 12.3471 -9.12714 -34.4493 -9.12715 34.7772 -19.0801 -34.4494 -19.0802 -8.84425 GPRESSAVG: 1668800 13.313 -7.07567 -34.7595 -10.6964 34.3257 -19.8834 -34.6177 -18.4994 -8.85351 TIMING: 1668800 CPU: 5313.03, 0.00323423/step Wall: 5313.03, 0.00323423/step, 2.99274 hours remaining, 241.453125 MB of memory in use. ENERGY: 1668800 3982.0227 20524.0147 14415.0521 255.6455 -203510.4381 2770.9337 0.0000 0.0000 52079.5564 -109483.2130 299.3019 -161562.7694 -109109.1401 298.9129 111.7132 138.4874 762065.2159 12.7600 12.9284 PRESSURE: 1669000 -351.27 -331.852 -12.0354 -331.851 -0.112344 -33.9473 -12.0352 -33.9462 144.978 GPRESSURE: 1669000 -335.616 -191.933 -129.579 -236.036 15.9859 -3.07398 130.294 -131.253 181.643 PRESSAVG: 1669000 -0.468861 -26.5174 9.27304 -26.5175 18.3171 -75.7633 9.27304 -75.7634 1.55633 GPRESSAVG: 1669000 -1.25815 -28.3283 10.6634 -25.0676 18.0909 -75.2253 8.41302 -76.9308 2.29783 TIMING: 1669000 CPU: 5313.68, 0.00321756/step Wall: 5313.68, 0.00321756/step, 2.97714 hours remaining, 241.453125 MB of memory in use. ENERGY: 1669000 4010.0565 20762.8451 14429.5594 238.2567 -203109.9628 2379.9494 0.0000 0.0000 51837.9550 -109451.3407 297.9134 -161289.2957 -109094.8114 299.3406 -68.8014 -45.9958 761771.6867 6.4682 6.3769 PRESSURE: 1669200 236.351 -165.471 66.522 -165.471 -232.261 45.0857 66.5224 45.0865 -307.203 GPRESSURE: 1669200 168.405 -230.283 45.3596 -117.649 -70.7202 6.67421 63.7438 75.5661 -321.968 PRESSAVG: 1669200 18.01 -39.0707 14.2567 -39.0707 -7.95049 28.0445 14.2567 28.0445 -14.2165 GPRESSAVG: 1669200 18.7659 -40.5753 13.2766 -40.4836 -8.65318 27.4944 14.5395 27.1184 -14.0628 TIMING: 1669200 CPU: 5314.32, 0.00319756/step Wall: 5314.32, 0.00319756/step, 2.95845 hours remaining, 241.453125 MB of memory in use. ENERGY: 1669200 4024.0446 20517.3949 14477.0982 233.0320 -203220.3037 2270.8077 0.0000 0.0000 52285.1339 -109412.7924 300.4834 -161697.9263 -109048.7446 299.1209 -101.0376 -74.7612 761783.1278 -1.3856 -1.3167 PRESSURE: 1669400 332.455 -121.888 -171.964 -121.887 -288.625 123.88 -171.965 123.881 5.37555 GPRESSURE: 1669400 232.284 -92.7023 -122.085 -3.39937 -107.602 88.5082 -130.099 124.674 17.615 PRESSAVG: 1669400 76.6119 -13.3936 -6.90954 -13.3936 -57.1128 33.6842 -6.90964 33.6843 2.75889 GPRESSAVG: 1669400 76.4862 -11.6299 -5.43912 -13.9836 -56.1169 32.9862 -8.4289 35.0822 2.11628 TIMING: 1669400 CPU: 5314.96, 0.00321122/step Wall: 5314.96, 0.00321122/step, 2.97091 hours remaining, 241.453125 MB of memory in use. ENERGY: 1669400 4061.0691 20500.6251 14505.9690 250.0669 -203386.0839 2484.5563 0.0000 0.0000 52106.3927 -109477.4048 299.4562 -161583.7975 -109113.5060 300.1940 16.4020 47.4324 760110.1572 7.4193 7.4952 PRESSURE: 1669600 -165.74 -131.549 -22.8316 -131.549 -9.55763 -169.555 -22.8307 -169.554 -357.461 GPRESSURE: 1669600 -14.164 -75.3241 20.4971 -154.378 -38.4303 -131.005 -44.365 -292.489 -399.668 PRESSAVG: 1669600 -12.6836 -10.8636 31.0154 -10.8635 -38.2839 28.6381 31.0153 28.6381 28.8975 GPRESSAVG: 1669600 -12.4412 -8.92999 30.3661 -11.0567 -38.7703 29.6243 32.4171 27.981 29.4494 TIMING: 1669600 CPU: 5315.6, 0.00321799/step Wall: 5315.6, 0.00321799/step, 2.977 hours remaining, 241.453125 MB of memory in use. ENERGY: 1669600 3943.8857 20665.2434 14490.0566 251.9815 -203003.1572 2342.3917 0.0000 0.0000 52071.0875 -109238.5110 299.2533 -161309.5984 -108866.1425 299.9727 -177.5862 -150.7541 762866.9940 -7.3567 -7.2540 PRESSURE: 1669800 160.753 94.2012 107.656 94.2014 -83.4106 319.748 107.655 319.747 184.046 GPRESSURE: 1669800 187.954 61.5296 41.7736 43.4495 -4.64828 349.478 158.221 306.412 141.113 PRESSAVG: 1669800 64.0769 -37.1118 -17.316 -37.1118 -23.5204 22.3023 -17.316 22.3024 18.7848 GPRESSAVG: 1669800 64.2892 -39.1491 -18.959 -35.8604 -22.8847 21.4009 -16.5798 24.0775 17.3237 TIMING: 1669800 CPU: 5316.24, 0.00319638/step Wall: 5316.24, 0.00319638/step, 2.95683 hours remaining, 241.453125 MB of memory in use. ENERGY: 1669800 3960.2926 20642.4687 14598.5092 247.5403 -203707.1840 2776.8836 0.0000 0.0000 52109.8242 -109371.6654 299.4759 -161481.4896 -109008.0043 300.0160 87.1295 108.1398 759043.9925 19.7804 19.5761 PRESSURE: 1670000 -188.89 43.341 38.0694 43.3417 -108.533 113.404 38.07 113.404 -63.6065 GPRESSURE: 1670000 -66.6562 30.3745 49.5164 -7.09554 -86.2453 114.661 36.1269 -15.7339 -132.745 PRESSAVG: 1670000 37.5439 15.7723 59.8329 15.7724 11.9133 12.6 59.8329 12.6001 -4.81651 GPRESSAVG: 1670000 38.8572 15.6611 59.7974 16.4384 10.9349 13.4672 60.4098 12.3287 -4.46173 TIMING: 1670000 CPU: 5316.88, 0.00321597/step Wall: 5316.88, 0.00321597/step, 2.97477 hours remaining, 241.453125 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: 1670000 3930.8497 20471.9437 14464.5833 250.3227 -202725.2997 2166.8238 0.0000 0.0000 52035.9526 -109404.8239 299.0513 -161440.7765 -109037.1515 299.7974 -120.3432 -95.2156 761929.1725 14.8802 15.1101 PRESSURE: 1670200 138.142 -36.2748 41.9091 -36.2741 27.3203 -76.7824 41.909 -76.7835 -267.563 GPRESSURE: 1670200 147.869 -110.402 88.3096 4.95798 95.3883 -25.2023 10.8271 -138.988 -235.913 PRESSAVG: 1670200 30.6338 -44.2399 -10.7345 -44.2399 -57.9499 3.80274 -10.7345 3.80259 3.22515 GPRESSAVG: 1670200 29.5034 -44.0756 -10.5682 -44.3536 -58.3773 2.34117 -10.722 4.37905 5.05479 TIMING: 1670200 CPU: 5317.53, 0.00322211/step Wall: 5317.53, 0.00322211/step, 2.98027 hours remaining, 241.453125 MB of memory in use. ENERGY: 1670200 4072.5816 20403.8792 14412.7339 234.6229 -203762.3901 2946.7310 0.0000 0.0000 52405.7005 -109286.1410 301.1763 -161691.8415 -108923.6067 299.6060 -34.0335 2.4481 762074.8994 -8.0303 -7.9397 PRESSURE: 1670400 -57.9604 41.9284 95.5397 41.9277 -59.8954 29.3697 95.5401 29.37 -649.209 GPRESSURE: 1670400 -32.6103 42.7992 80.6563 93.1988 -26.6628 -42.1142 -36.0066 155.558 -633.477 PRESSAVG: 1670400 -4.39827 -27.9437 -8.22056 -27.9437 4.07271 12.9396 -8.22052 12.9396 -4.55415 GPRESSAVG: 1670400 -4.6145 -25.1752 -7.47946 -29.0027 5.75441 14.7143 -9.61358 11.7894 -5.99311 TIMING: 1670400 CPU: 5318.18, 0.00325188/step Wall: 5318.18, 0.00325188/step, 3.00763 hours remaining, 241.453125 MB of memory in use. ENERGY: 1670400 4118.4172 20469.1600 14458.3550 243.8602 -203374.0603 2772.6591 0.0000 0.0000 52182.3070 -109129.3018 299.8924 -161311.6088 -108776.1650 300.5390 -255.6884 -230.9168 761451.5822 -1.6266 -1.6177 PRESSURE: 1670600 -375.411 105.136 409.524 105.137 -414.335 48.0941 409.525 48.0945 -253.549 GPRESSURE: 1670600 -295.776 119.179 359.387 36.4216 -341.483 8.95822 430.012 56.7032 -315.084 PRESSAVG: 1670600 39.5834 -1.39088 -25.3951 -1.39083 5.84735 13.7051 -25.395 13.7052 -5.12372 GPRESSAVG: 1670600 38.8421 -3.61446 -24.8934 -0.362927 5.62779 12.9585 -26.3943 14.2135 -4.52909 TIMING: 1670600 CPU: 5318.83, 0.00323606/step Wall: 5318.83, 0.00323606/step, 2.99282 hours remaining, 241.453125 MB of memory in use. ENERGY: 1670600 4031.0187 20511.8152 14467.1593 260.7135 -203132.6270 2517.6931 0.0000 0.0000 52010.1871 -109334.0402 298.9033 -161344.2272 -108979.1119 299.5453 -347.7649 -317.4475 760253.7346 13.4357 13.3136 PRESSURE: 1670800 -366.629 288.02 -142.872 288.02 -31.8346 51.4915 -142.871 51.4922 -479.471 GPRESSURE: 1670800 -235.84 225.53 -181.6 304.75 -91.5005 -7.55936 -12.6454 72.8341 -460.472 PRESSAVG: 1670800 22.5963 11.5903 18.8884 11.5903 -38.7661 -16.1852 18.8884 -16.1851 2.84981 GPRESSAVG: 1670800 24.2319 10.9318 17.5687 12.6344 -39.7915 -15.0882 20.8597 -14.1631 1.81494 TIMING: 1670800 CPU: 5319.48, 0.0032557/step Wall: 5319.48, 0.0032557/step, 3.0108 hours remaining, 241.453125 MB of memory in use. ENERGY: 1670800 4026.6599 20742.9619 14487.6861 238.6269 -203257.8433 2453.5365 0.0000 0.0000 51952.4788 -109355.8932 298.5716 -161308.3720 -109011.0399 299.8232 -292.6451 -262.6043 761177.6347 -4.4400 -4.5816 PRESSURE: 1671000 -318.57 -69.2489 -105.813 -69.2484 -479.9 312.504 -105.813 312.504 -646.279 GPRESSURE: 1671000 -340.654 -68.1796 -155.35 -146.946 -429.808 290.427 41.8029 236.311 -595.639 PRESSAVG: 1671000 -30.1754 6.00905 -17.1592 6.0091 31.3475 -21.3731 -17.1592 -21.3732 -19.4812 GPRESSAVG: 1671000 -31.1451 8.65649 -16.376 4.73065 31.955 -20.9015 -17.4219 -23.3667 -19.302 TIMING: 1671000 CPU: 5320.12, 0.00323383/step Wall: 5320.12, 0.00323383/step, 2.99039 hours remaining, 241.453125 MB of memory in use. ENERGY: 1671000 3958.2877 20568.8337 14573.9585 236.3464 -202967.4169 2108.8291 0.0000 0.0000 51991.8530 -109529.3084 298.7979 -161521.1615 -109169.6640 299.3004 -481.5832 -455.3669 760167.9037 -6.1031 -6.1640 PRESSURE: 1671200 147.702 -134.341 58.1997 -134.341 53.3339 125.816 58.2 125.815 336.287 GPRESSURE: 1671200 234.581 23.3673 19.3284 -227.868 2.78552 101.922 25.8499 123.643 400.14 PRESSAVG: 1671200 46.5768 -5.77447 -73.2041 -5.77439 -43.3414 -21.4848 -73.2041 -21.4848 21.1508 GPRESSAVG: 1671200 45.1951 -6.89244 -74.2594 -5.36205 -42.4087 -21.2921 -74.1671 -22.2001 21.5204 TIMING: 1671200 CPU: 5320.77, 0.00324351/step Wall: 5320.77, 0.00324351/step, 2.99916 hours remaining, 241.453125 MB of memory in use. ENERGY: 1671200 3969.2291 20507.5059 14410.8029 238.0640 -203026.0290 2375.2362 0.0000 0.0000 52065.2316 -109459.9593 299.2196 -161525.1909 -109097.4352 299.1542 179.1076 212.5022 757642.6850 8.1287 8.1023 PRESSURE: 1671400 350.787 -66.3044 156.652 -66.3042 -375.061 -51.5995 156.651 -51.5992 -51.7179 GPRESSURE: 1671400 321.877 -98.1268 103.353 -107.646 -272.814 7.44364 205.279 -47.5318 -52.771 PRESSAVG: 1671400 -20.4592 -30.8168 -13.0587 -30.8168 30.8458 -33.4206 -13.0586 -33.4206 4.06084 GPRESSAVG: 1671400 -18.597 -30.9508 -11.9741 -29.7985 28.1277 -33.6957 -12.021 -31.1796 4.80017 TIMING: 1671400 CPU: 5321.42, 0.00321407/step Wall: 5321.42, 0.00321407/step, 2.97177 hours remaining, 241.453125 MB of memory in use. ENERGY: 1671400 3990.1489 20607.1077 14486.8309 267.3475 -202935.3187 2186.2821 0.0000 0.0000 52099.0451 -109298.5564 299.4139 -161397.6015 -108943.7870 299.3424 -25.3308 -1.2359 760670.6594 4.8158 4.7769 PRESSURE: 1671600 -111.03 -280.487 -8.9393 -280.486 15.7427 -116.813 -8.93893 -116.813 -188.741 GPRESSURE: 1671600 -29.9892 -266.592 17.8317 -259.203 -11.0159 -208.298 21.9805 136.892 -155.001 PRESSAVG: 1671600 47.9015 -84.7397 20.2161 -84.7398 -15.4375 25.0005 20.2161 25.0006 -2.04634 GPRESSAVG: 1671600 46.9436 -85.8696 18.1391 -86.0158 -12.9271 22.4764 20.3547 25.0693 -3.20866 TIMING: 1671600 CPU: 5322.05, 0.00318964/step Wall: 5322.05, 0.00318964/step, 2.949 hours remaining, 241.453125 MB of memory in use. ENERGY: 1671600 3963.1948 20431.8639 14515.0753 243.8929 -202880.4224 2085.3437 0.0000 0.0000 52205.1965 -109435.8552 300.0240 -161641.0517 -109072.0520 299.3611 -94.6760 -65.3353 761080.0648 10.1392 10.2693 PRESSURE: 1671800 449.15 -264.218 -24.4613 -264.218 379.151 26.8613 -24.4603 26.8618 365.334 GPRESSURE: 1671800 452.714 -275.71 -83.8908 -268.252 394.305 58.0175 66.8795 -4.87235 410.286 PRESSAVG: 1671800 36.1029 -36.9933 -14.9885 -36.9932 -4.80811 21.8974 -14.9885 21.8975 4.12249 GPRESSAVG: 1671800 36.116 -37.0901 -14.2087 -36.4008 -5.67304 24.6676 -16.2211 21.659 4.67692 TIMING: 1671800 CPU: 5322.69, 0.00317936/step Wall: 5322.69, 0.00317936/step, 2.93932 hours remaining, 241.453125 MB of memory in use. ENERGY: 1671800 3926.5397 20539.1605 14459.4604 239.4644 -203515.9782 2870.2469 0.0000 0.0000 52210.8103 -109270.2960 300.0562 -161481.1063 -108912.7171 299.6321 397.8784 419.1018 759878.3739 11.8058 11.7066 PRESSURE: 1672000 -165.605 -79.3679 232.19 -79.3675 346.443 -28.7613 232.189 -28.7616 -29.6392 GPRESSURE: 1672000 -99.1141 -50.9204 116.419 -92.2593 321.315 -22.4209 275.213 -38.9026 3.90816 PRESSAVG: 1672000 -24.7731 -40.1609 25.2986 -40.161 2.00825 -16.9304 25.2986 -16.9304 1.28093 GPRESSAVG: 1672000 -24.1334 -39.3572 24.6475 -41.3644 2.10299 -18.875 27.5379 -16.9834 0.802537 TIMING: 1672000 CPU: 5323.33, 0.0032031/step Wall: 5323.33, 0.0032031/step, 2.96109 hours remaining, 241.453125 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: 1672000 3927.9110 20747.7467 14468.3671 262.8173 -203301.1673 2539.0610 0.0000 0.0000 52061.8268 -109293.4375 299.2000 -161355.2643 -108923.2138 300.1489 50.3995 75.3698 760423.2374 -7.1613 -7.0759 PRESSURE: 1672200 -213.117 133.905 -285.574 133.906 -137.142 20.2226 -285.574 20.2226 -356.663 GPRESSURE: 1672200 -137.135 77.7837 -340.574 75.5836 -185.129 -85.8594 -189.152 99.7296 -303.49 PRESSAVG: 1672200 17.9415 -31.5812 -34.3644 -31.5812 -15.6642 -7.35795 -34.3644 -7.35802 8.73169 GPRESSAVG: 1672200 19.1104 -31.9888 -34.4573 -32.0368 -16.327 -8.59069 -34.9629 -5.96258 8.24058 TIMING: 1672200 CPU: 5323.97, 0.00320312/step Wall: 5323.97, 0.00320312/step, 2.96092 hours remaining, 241.453125 MB of memory in use. ENERGY: 1672200 3980.1983 20577.3681 14470.1646 235.7810 -203503.3685 2638.4150 0.0000 0.0000 52235.9357 -109365.5057 300.2006 -161601.4415 -109007.1940 299.8775 -235.6405 -208.5847 760222.8482 3.6697 3.6746 LDB: ============= START OF LOAD BALANCING ============== 5336.43 LDB: ============== END OF LOAD BALANCING =============== 5336.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5336.43 LDB: ============= START OF LOAD BALANCING ============== 5336.75 LDB: Largest compute 7059 load 0.037379 is 19.2% of average load 0.195178 LDB: Average compute 0.004417 is 2.3% of average load 0.195178 LDB: TIME 5336.75 LOAD: AVG 0.195178 MAX 0.21249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.746 MB LDB: TIME 5336.75 LOAD: AVG 0.195178 MAX 0.21249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.746 MB LDB: TIME 5336.75 LOAD: AVG 0.195178 MAX 0.21249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.746 MB LDB: ============== END OF LOAD BALANCING =============== 5336.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5336.76 PRESSURE: 1672400 -354.788 -85.0827 168.061 -85.0823 -299.326 98.0624 168.061 98.062 -531.71 GPRESSURE: 1672400 -356.529 -43.8054 215.856 -113.816 -273.546 34.9838 197.828 83.529 -471.711 PRESSAVG: 1672400 -19.783 -10.7301 -30.2736 -10.7301 34.6317 -4.32629 -30.2737 -4.32632 -10.7242 GPRESSAVG: 1672400 -21.477 -10.4061 -29.4067 -9.84159 34.9886 -3.60209 -30.2696 -6.02288 -8.76602 TIMING: 1672400 CPU: 5324.62, 0.00326367/step Wall: 5324.62, 0.00326367/step, 3.01672 hours remaining, 240.441406 MB of memory in use. ENERGY: 1672400 3999.1285 20776.8193 14478.6411 238.5098 -202958.5270 2203.5013 0.0000 0.0000 51935.7701 -109326.1569 298.4756 -161261.9271 -108969.7961 299.6857 -395.2747 -367.2619 762390.8867 1.3749 1.5819 PRESSURE: 1672600 -293.252 -213.14 274.281 -213.139 -85.4266 -115.232 274.28 -115.233 15.3797 GPRESSURE: 1672600 -179.687 -256.026 342.089 -167.1 -96.7466 -107.203 173.994 -50.5401 -13.232 PRESSAVG: 1672600 42.0804 -50.3351 -1.17456 -50.335 -77.9989 -6.9941 -1.17452 -6.99417 28.2952 GPRESSAVG: 1672600 43.6411 -50.5358 -1.14416 -48.9681 -78.0188 -4.94459 -2.27049 -7.48588 26.7348 TIMING: 1672600 CPU: 5325.26, 0.0031829/step Wall: 5325.26, 0.0031829/step, 2.94188 hours remaining, 240.644531 MB of memory in use. ENERGY: 1672600 4063.6728 20567.7859 14462.8220 259.0900 -203449.9607 2528.6903 0.0000 0.0000 51990.5787 -109577.3211 298.7906 -161567.8998 -109213.2782 299.2313 -121.0998 -96.5553 761200.3798 -2.5411 -2.5476 PRESSURE: 1672800 103.183 -245.039 -16.1602 -245.039 -92.8563 -83.7715 -16.1598 -83.7715 -477.13 GPRESSURE: 1672800 116.818 -220.799 6.02378 -213.345 -82.4518 -11.8156 -17.5461 -121.56 -406.712 PRESSAVG: 1672800 49.1253 -68.9295 -20.2359 -68.9296 -34.8283 28.741 -20.236 28.741 33.5013 GPRESSAVG: 1672800 49.1791 -69.4223 -18.8049 -70.3436 -34.7838 28.2811 -20.6866 28.0797 33.8507 TIMING: 1672800 CPU: 5325.9, 0.00319035/step Wall: 5325.9, 0.00319035/step, 2.9486 hours remaining, 240.644531 MB of memory in use. ENERGY: 1672800 4000.4468 20427.8736 14432.1143 250.0410 -203482.2224 2643.0537 0.0000 0.0000 52004.1825 -109724.5105 298.8688 -161728.6930 -109364.4155 299.6606 -155.6011 -124.1152 760484.6229 15.9328 16.0820 PRESSURE: 1673000 -12.9252 -38.2211 13.9115 -38.2212 110.129 -253.096 13.9125 -253.096 104.176 GPRESSURE: 1673000 -10.3407 -53.7935 2.44009 12.3397 147.149 -256.078 -7.11885 -144.787 139.638 PRESSAVG: 1673000 4.11964 -31.8552 -23.415 -31.8552 -28.1199 -63.3082 -23.4149 -63.3082 -26.0863 GPRESSAVG: 1673000 4.32606 -31.4811 -25.6421 -30.7322 -28.5047 -63.769 -21.9633 -62.2196 -25.9496 TIMING: 1673000 CPU: 5326.54, 0.00319722/step Wall: 5326.54, 0.00319722/step, 2.95477 hours remaining, 240.644531 MB of memory in use. ENERGY: 1673000 3970.9259 20594.1645 14449.1909 248.7607 -203662.6600 2897.4127 0.0000 0.0000 51834.6667 -109667.5386 297.8945 -161502.2053 -109319.0525 298.9174 67.1268 92.1488 761718.3536 -16.6955 -16.7094 PRESSURE: 1673200 195.655 21.115 66.9194 21.1163 225.64 -70.9752 66.9189 -70.9748 -85.1085 GPRESSURE: 1673200 136.983 151.895 68.4542 36.0155 327.762 -86.8057 72.4293 -120.008 -60.4392 PRESSAVG: 1673200 31.1851 1.63539 -44.9281 1.63539 -51.5114 -0.813397 -44.9281 -0.813288 -0.423175 GPRESSAVG: 1673200 30.0206 1.50901 -45.0301 2.5909 -50.4518 0.472696 -44.9217 -0.326158 -0.462057 TIMING: 1673200 CPU: 5327.18, 0.00320364/step Wall: 5327.18, 0.00320364/step, 2.96052 hours remaining, 240.644531 MB of memory in use. ENERGY: 1673200 3926.3725 20402.0272 14460.9985 248.6485 -203622.5524 2902.4298 0.0000 0.0000 51964.4586 -109717.6174 298.6405 -161682.0760 -109345.7126 298.5511 112.0622 134.7685 763475.6302 -6.9165 -6.9644 PRESSURE: 1673400 309.855 -37.004 17.2456 -37.0039 -170.674 291.035 17.246 291.035 495.844 GPRESSURE: 1673400 297.492 -108.352 83.7147 -66.7529 -87.5875 261.979 44.4834 189.941 499.181 PRESSAVG: 1673400 109.2 -2.84016 17.8719 -2.8401 -74.1573 12.5053 17.8719 12.5054 19.8417 GPRESSAVG: 1673400 108.465 -2.20133 18.0603 -5.28969 -73.9882 10.7582 17.5126 11.1103 19.7918 TIMING: 1673400 CPU: 5327.82, 0.00319361/step Wall: 5327.82, 0.00319361/step, 2.95108 hours remaining, 240.644531 MB of memory in use. ENERGY: 1673400 3972.2233 20473.4568 14449.0583 263.1940 -203819.4221 2921.4961 0.0000 0.0000 51992.3837 -109747.6099 298.8009 -161739.9936 -109381.9924 298.2389 211.6748 236.3618 761361.9997 18.2949 18.0896 PRESSURE: 1673600 -190.072 8.80154 128.828 8.80242 166.848 8.00342 128.828 8.00459 38.2397 GPRESSURE: 1673600 -39.0248 -36.2746 75.7161 124.761 90.1538 41.1193 40.2511 -6.23027 34.1331 PRESSAVG: 1673600 36.8117 -21.8129 24.4992 -21.8128 -50.3106 19.9256 24.4992 19.9255 -5.2539 GPRESSAVG: 1673600 38.3233 -24.1297 26.2708 -20.6381 -51.8276 20.4358 22.3597 20.8953 -4.45555 TIMING: 1673600 CPU: 5328.46, 0.00320431/step Wall: 5328.46, 0.00320431/step, 2.96078 hours remaining, 240.644531 MB of memory in use. ENERGY: 1673600 3998.0389 20393.4040 14549.6608 264.2966 -203472.8778 2617.3952 0.0000 0.0000 52135.3901 -109514.6923 299.6228 -161650.0824 -109142.8243 299.2524 5.0053 28.4207 761070.6015 -6.2509 -5.9866 PRESSURE: 1673800 -243.09 9.73439 300.594 9.73456 -101.756 -109.344 300.593 -109.342 -335.13 GPRESSURE: 1673800 -213.173 -132.45 309.369 -23.7391 -63.6226 -139.878 232.344 -83.9351 -306.141 PRESSAVG: 1673800 26.6038 3.13659 -23.6584 3.13657 20.6713 2.46207 -23.6584 2.46212 24.99 GPRESSAVG: 1673800 26.2706 3.16093 -24.8489 2.94787 20.7052 2.18374 -21.9994 0.829285 25.2726 TIMING: 1673800 CPU: 5329.1, 0.00320397/step Wall: 5329.1, 0.00320397/step, 2.96029 hours remaining, 240.644531 MB of memory in use. ENERGY: 1673800 3999.7256 20597.2376 14472.3937 250.2872 -202890.4085 2287.4823 0.0000 0.0000 51805.7793 -109477.5028 297.7285 -161283.2822 -109113.8927 299.0611 -226.6589 -194.3124 762680.7045 24.0884 24.0828 PRESSURE: 1674000 -200.4 43.9039 -328.962 43.9045 289.614 76.8011 -328.962 76.802 -176.316 GPRESSURE: 1674000 -135.288 -71.4674 -248.964 4.71157 298.002 153.289 -305.912 33.842 -197.254 PRESSAVG: 1674000 -56.7352 -12.3359 -9.64504 -12.336 40.2587 -4.48946 -9.64502 -4.48938 -18.4312 GPRESSAVG: 1674000 -55.8785 -9.46965 -10.219 -13.3292 40.8405 -6.17428 -9.77847 -1.39226 -18.9895 TIMING: 1674000 CPU: 5329.74, 0.00319912/step Wall: 5329.74, 0.00319912/step, 2.95563 hours remaining, 240.644531 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: 1674000 3976.5902 20618.4153 14579.3744 268.3690 -203441.0041 2450.1428 0.0000 0.0000 52093.4516 -109454.6607 299.3818 -161548.1123 -109097.7437 299.1885 -29.0340 -11.5134 760848.7944 -11.6359 -11.3425 PRESSURE: 1674200 -80.4309 -161.049 147.386 -161.048 -59.212 220.228 147.387 220.228 -55.0754 GPRESSURE: 1674200 -28.082 -70.5832 132.333 -165.439 -62.7873 282.246 28.6478 180.387 -31.1931 PRESSAVG: 1674200 -4.75013 -32.9635 -19.5235 -32.9635 2.55367 78.5981 -19.5235 78.5981 -3.03254 GPRESSAVG: 1674200 -6.04729 -31.5581 -18.9079 -34.3273 2.97019 80.5788 -19.125 77.5647 -2.13555 TIMING: 1674200 CPU: 5330.38, 0.00321189/step Wall: 5330.38, 0.00321189/step, 2.96725 hours remaining, 240.644531 MB of memory in use. ENERGY: 1674200 4035.1191 20563.2634 14554.2230 242.3091 -202978.8496 2330.8415 0.0000 0.0000 51763.2270 -109489.8666 297.4840 -161253.0936 -109126.5258 299.5481 -64.9061 -40.6875 759332.8851 -1.7430 -1.7375 PRESSURE: 1674400 -378.223 -145.45 233.617 -145.449 -602.616 39.2812 233.617 39.2825 -263.397 GPRESSURE: 1674400 -371.568 -29.5079 281.853 -86.8853 -397.576 85.7068 56.2367 -132.662 -366.564 PRESSAVG: 1674400 16.643 -51.7766 42.0835 -51.7765 3.38347 6.98591 42.0835 6.98589 6.02133 GPRESSAVG: 1674400 16.9956 -53.1563 41.6539 -50.9403 4.15365 7.23683 41.9593 7.98667 5.10826 TIMING: 1674400 CPU: 5331.03, 0.00322295/step Wall: 5331.03, 0.00322295/step, 2.97729 hours remaining, 240.644531 MB of memory in use. ENERGY: 1674400 4017.0445 20494.4501 14492.9081 241.3482 -203456.8523 2553.2510 0.0000 0.0000 52092.5006 -109565.3498 299.3763 -161657.8504 -109212.9948 299.5714 -414.7453 -378.5691 759881.8713 8.6826 8.7525 PRESSURE: 1674600 -198.35 -21.4087 -236.367 -21.4086 -380.872 61.3736 -236.368 61.3731 -434.15 GPRESSURE: 1674600 -150.609 -96.7598 -270.801 -144.148 -366.827 93.6823 -120.601 24.6725 -412.137 PRESSAVG: 1674600 -19.5078 -13.011 -21.8765 -13.011 -11.9643 41.3169 -21.8765 41.3169 13.8937 GPRESSAVG: 1674600 -19.1033 -14.1621 -21.9438 -13.1488 -12.6026 40.7409 -22.2597 41.308 14.6569 TIMING: 1674600 CPU: 5331.67, 0.00320665/step Wall: 5331.67, 0.00320665/step, 2.96205 hours remaining, 240.644531 MB of memory in use. ENERGY: 1674600 3958.6170 20395.5621 14505.5870 262.8251 -203251.2997 2357.2913 0.0000 0.0000 52113.7349 -109657.6823 299.4984 -161771.4172 -109299.0733 299.1169 -337.7904 -309.8577 760373.4395 -5.8595 -5.6830 PRESSURE: 1674800 127.1 -31.9893 -177.781 -31.9893 -11.7529 200.179 -177.782 200.18 123.409 GPRESSURE: 1674800 188.018 2.94187 -158.26 3.64206 -7.51028 207.511 -200.938 241.491 137.605 PRESSAVG: 1674800 8.08581 -15.2879 -28.6283 -15.2879 5.16282 80.0786 -28.6283 80.0786 9.78118 GPRESSAVG: 1674800 8.52397 -14.3247 -29.3287 -13.0025 4.76696 79.9488 -27.482 81.1136 9.47144 TIMING: 1674800 CPU: 5332.31, 0.0032131/step Wall: 5332.31, 0.0032131/step, 2.96783 hours remaining, 240.644531 MB of memory in use. ENERGY: 1674800 3887.4852 20567.3553 14468.7971 271.3371 -203677.1379 2678.7950 0.0000 0.0000 52072.3115 -109731.0566 299.2603 -161803.3681 -109364.4972 299.6107 79.5855 106.0379 760121.6894 7.6766 7.5875 PRESSURE: 1675000 6.35736 -250.404 -235.777 -250.404 101.863 107.429 -235.777 107.429 365.705 GPRESSURE: 1675000 3.54269 -301.815 -236.413 -343.544 157.451 100.503 -153.266 111.687 406.361 PRESSAVG: 1675000 -27.5032 -65.7498 -69.8791 -65.7498 25.6373 34.7824 -69.8791 34.7824 -9.39644 GPRESSAVG: 1675000 -26.7126 -68.3853 -69.1078 -66.1709 25.0298 35.0357 -70.1009 35.0823 -10.174 TIMING: 1675000 CPU: 5332.95, 0.00321507/step Wall: 5332.95, 0.00321507/step, 2.96948 hours remaining, 240.644531 MB of memory in use. ENERGY: 1675000 3972.8520 20510.0499 14445.4796 229.2709 -203892.4443 2786.1526 0.0000 0.0000 52252.0790 -109696.5603 300.2934 -161948.6393 -109329.9059 299.0919 157.9751 189.1181 760310.6259 -3.7541 -3.9523 PRESSURE: 1675200 122.438 -111.478 -20.5809 -111.477 138.082 152.81 -20.581 152.81 289.677 GPRESSURE: 1675200 187.232 -64.888 -32.2313 -95.736 150.397 184.404 26.3585 242.449 298.353 PRESSAVG: 1675200 55.6901 -70.0553 -47.4487 -70.0552 -3.17397 14.9156 -47.4487 14.9157 5.83439 GPRESSAVG: 1675200 55.0616 -67.584 -45.9248 -71.5683 -2.52621 14.9314 -47.7043 13.4396 6.09322 TIMING: 1675200 CPU: 5333.59, 0.00319449/step Wall: 5333.59, 0.00319449/step, 2.95029 hours remaining, 240.644531 MB of memory in use. ENERGY: 1675200 3820.0592 20464.3652 14445.7671 260.3017 -203202.3535 2435.2085 0.0000 0.0000 52051.9665 -109724.6852 299.1434 -161776.6518 -109355.4110 299.0026 183.3988 211.9943 761543.1433 19.4502 19.5429 PRESSURE: 1675400 355.197 -207.463 -43.6502 -207.462 360.485 210.101 -43.6501 210.1 -307.651 GPRESSURE: 1675400 396.896 -332.842 -6.23804 -135.614 334.918 196.442 -18.3391 88.9558 -234.929 PRESSAVG: 1675400 -8.00856 -38.8952 -25.0458 -38.8953 -27.2491 -24.6805 -25.0458 -24.6805 -13.5805 GPRESSAVG: 1675400 -8.43093 -41.4152 -26.1079 -38.1771 -27.3997 -24.5929 -26.0821 -23.7018 -12.6187 TIMING: 1675400 CPU: 5334.23, 0.00320552/step Wall: 5334.23, 0.00320552/step, 2.9603 hours remaining, 240.644531 MB of memory in use. ENERGY: 1675400 4016.4549 20588.7302 14381.2010 244.7793 -203518.8681 2675.1858 0.0000 0.0000 51971.3307 -109641.1863 298.6800 -161612.5171 -109279.5287 298.6471 136.0103 165.6284 760961.3232 -16.2794 -16.1498 PRESSURE: 1675600 176.139 -228.77 -135.251 -228.77 -266.753 143.296 -135.251 143.296 65.3411 GPRESSURE: 1675600 170.113 -306.78 -95.1768 -225.158 -168.729 185.529 -92.6341 70.264 30.6591 PRESSAVG: 1675600 56.4741 -25.8312 15.4868 -25.8312 -86.0784 40.5751 15.4869 40.5751 -0.56411 GPRESSAVG: 1675600 56.9465 -22.5003 15.127 -25.3625 -86.766 39.8269 15.7355 40.6262 -0.429352 TIMING: 1675600 CPU: 5334.87, 0.00319937/step Wall: 5334.87, 0.00319937/step, 2.95444 hours remaining, 240.644531 MB of memory in use. ENERGY: 1675600 3963.9963 20572.4677 14463.9534 254.1783 -203375.2246 2537.9495 0.0000 0.0000 52167.0900 -109415.5894 299.8050 -161582.6794 -109051.8596 299.2705 -8.4243 10.6809 760404.1513 -10.0561 -10.0830 PRESSURE: 1675800 241.549 -50.8925 -195.199 -50.8921 105.948 -183.12 -195.199 -183.119 -141.458 GPRESSURE: 1675800 184.157 -32.7196 -121.664 86.7499 180.254 -214.289 -161.857 -59.46 -66.9028 PRESSAVG: 1675800 38.1012 -30.9779 -60.7539 -30.9779 -9.96347 -17.2141 -60.7539 -17.2141 -12.5082 GPRESSAVG: 1675800 36.7937 -31.1613 -60.2232 -32.8804 -9.2284 -18.1343 -60.8917 -16.8818 -12.3721 TIMING: 1675800 CPU: 5335.51, 0.00319165/step Wall: 5335.51, 0.00319165/step, 2.94713 hours remaining, 240.644531 MB of memory in use. ENERGY: 1675800 3993.3873 20672.9640 14450.7059 253.3707 -203536.1761 2654.2240 0.0000 0.0000 52246.3580 -109265.1662 300.2605 -161511.5242 -108913.5577 299.9430 68.6796 99.1694 759757.7954 5.2098 5.0644 PRESSURE: 1676000 -240.955 -36.5411 -34.4476 -36.541 -70.1181 -224.191 -34.4479 -224.192 -356.865 GPRESSURE: 1676000 -207.092 95.3693 -26.828 -53.8368 -89.3283 -347.219 -73.6728 -207.877 -289.371 PRESSAVG: 1676000 69.9951 -9.14587 -44.2429 -9.14589 -81.4136 -27.9596 -44.2429 -27.9596 -2.41067 GPRESSAVG: 1676000 71.2985 -10.6725 -44.5144 -8.47646 -82.3734 -26.6401 -42.368 -28.4478 -2.82017 TIMING: 1676000 CPU: 5336.15, 0.00317616/step Wall: 5336.15, 0.00317616/step, 2.93265 hours remaining, 240.644531 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: 1676000 4011.9174 20708.8367 14408.5562 233.3776 -203419.7330 2584.5640 0.0000 0.0000 52100.2865 -109372.1945 299.4211 -161472.4811 -108996.1617 300.5185 -222.6459 -195.2636 762564.9999 -4.6097 -4.6317 PRESSURE: 1676200 273.746 -176.376 -7.39686 -176.374 31.5922 38.4322 -7.39764 38.4323 204.483 GPRESSURE: 1676200 313.749 -135.338 23.4792 -232.498 53.9488 83.3802 -133.121 -90.7049 215.636 PRESSAVG: 1676200 25.9278 -2.52779 -40.6082 -2.52783 -7.23298 -20.3731 -40.6083 -20.3732 15.4942 GPRESSAVG: 1676200 24.356 -3.09149 -41.5511 -1.93212 -6.53938 -19.8208 -41.3615 -20.5039 15.5263 TIMING: 1676200 CPU: 5336.78, 0.00318104/step Wall: 5336.78, 0.00318104/step, 2.93698 hours remaining, 240.644531 MB of memory in use. ENERGY: 1676200 4004.2655 20475.7621 14410.4901 232.6452 -202922.8214 2464.7998 0.0000 0.0000 51753.3860 -109581.4726 297.4274 -161334.8587 -109223.3729 299.2439 169.9403 194.4444 760882.3872 11.3963 11.1143 LDB: ============= START OF LOAD BALANCING ============== 5349.24 LDB: ============== END OF LOAD BALANCING =============== 5349.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5349.24 LDB: ============= START OF LOAD BALANCING ============== 5349.56 LDB: Largest compute 7060 load 0.037139 is 19.0% of average load 0.195085 LDB: Average compute 0.004417 is 2.3% of average load 0.195085 LDB: TIME 5349.56 LOAD: AVG 0.195085 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.93 MB LDB: TIME 5349.56 LOAD: AVG 0.195085 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.934 MB LDB: TIME 5349.56 LOAD: AVG 0.195085 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.934 MB LDB: ============== END OF LOAD BALANCING =============== 5349.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5349.57 PRESSURE: 1676400 18.3348 -36.2345 257.54 -36.2333 -212.49 54.7751 257.54 54.775 198.101 GPRESSURE: 1676400 76.3101 -98.5005 164.242 -100.59 -206.879 110.703 124.843 -1.33455 227.581 PRESSAVG: 1676400 4.3938 -57.8922 65.0059 -57.8923 -11.5139 -19.1107 65.0059 -19.1107 -5.32116 GPRESSAVG: 1676400 3.56145 -55.4181 65.5407 -58.2709 -11.2486 -20.3282 65.6324 -19.0527 -4.99297 TIMING: 1676400 CPU: 5337.43, 0.00324728/step Wall: 5337.43, 0.00324728/step, 2.99796 hours remaining, 241.730469 MB of memory in use. ENERGY: 1676400 3991.9534 20412.4207 14471.5814 249.5025 -203199.5354 2385.5361 0.0000 0.0000 52000.2483 -109688.2931 298.8461 -161688.5414 -109324.1395 298.8427 1.3151 32.3373 761992.8714 -4.1471 -4.2267 PRESSURE: 1676600 -360.463 -206.814 220.173 -206.814 119.172 24.4469 220.173 24.446 -174.985 GPRESSURE: 1676600 -254.687 -208.675 213.818 -116.247 123.801 31.3939 106.787 82.2677 -194.074 PRESSAVG: 1676600 46.3859 -31.9125 19.683 -31.9125 -9.44324 -29.7371 19.683 -29.7369 19.6479 GPRESSAVG: 1676600 48.2198 -33.8044 18.369 -32.2995 -10.3057 -30.0352 17.8208 -30.0382 18.8261 TIMING: 1676600 CPU: 5338.07, 0.00320431/step Wall: 5338.07, 0.00320431/step, 2.95812 hours remaining, 241.730469 MB of memory in use. ENERGY: 1676600 4103.6285 20497.9682 14479.3864 220.0633 -203347.2333 2561.2853 0.0000 0.0000 51858.0682 -109626.8335 298.0290 -161484.9016 -109267.0159 299.0645 -138.7588 -108.3201 762802.2813 18.8635 18.9134 PRESSURE: 1676800 212.304 -194.558 -138.065 -194.558 -59.8537 -2.78662 -138.066 -2.78588 292.066 GPRESSURE: 1676800 217.933 -323.864 -99.027 -164.969 13.1265 -49.6307 -138.191 26.739 292.784 PRESSAVG: 1676800 48.8927 3.72776 33.3564 3.72787 -18.3588 -15.9613 33.3564 -15.9613 -7.38547 GPRESSAVG: 1676800 49.3772 5.70179 33.9808 3.87489 -18.9497 -15.4892 34.7031 -15.1708 -6.50686 TIMING: 1676800 CPU: 5338.72, 0.00322387/step Wall: 5338.72, 0.00322387/step, 2.97599 hours remaining, 241.730469 MB of memory in use. ENERGY: 1676800 3970.0454 20595.0776 14456.5313 224.9383 -203388.5442 2525.9527 0.0000 0.0000 52114.4941 -109501.5048 299.5027 -161615.9989 -109139.7512 299.3111 148.1720 174.6145 760068.7773 7.7161 7.9735 PRESSURE: 1677000 -274.076 8.63875 96.3649 8.6392 -155.249 67.7454 96.3647 67.7458 -6.58482 GPRESSURE: 1677000 -200.2 -48.3848 96.2671 -10.2329 -87.6577 113.135 80.3304 66.6169 -55.5479 PRESSAVG: 1677000 20.9052 5.42275 28.7663 5.4228 -2.6192 5.28014 28.7663 5.28013 -27.3843 GPRESSAVG: 1677000 19.213 5.45903 28.5646 6.09247 -0.581473 3.65821 27.773 6.03041 -27.7216 TIMING: 1677000 CPU: 5339.36, 0.00318971/step Wall: 5339.36, 0.00318971/step, 2.94428 hours remaining, 241.730469 MB of memory in use. ENERGY: 1677000 3944.0946 20358.9437 14427.7045 239.2887 -203222.1079 2461.4607 0.0000 0.0000 52061.4312 -109729.1846 299.1978 -161790.6158 -109369.0339 299.2618 -145.3033 -114.4686 762776.4170 -3.0328 -3.0300 PRESSURE: 1677200 39.6151 -49.5051 -55.9322 -49.5053 97.6881 -72.5581 -55.932 -72.5582 -256.368 GPRESSURE: 1677200 80.0806 -50.5393 -87.5665 -110.158 76.1116 -105.91 -84.7086 -81.6068 -176.02 PRESSAVG: 1677200 0.890446 -32.5697 -3.94355 -32.5697 29.9879 -44.8958 -3.94354 -44.8959 1.96232 GPRESSAVG: 1677200 1.99596 -33.17 -5.04053 -33.0731 28.2447 -45.4543 -2.5327 -44.7392 2.66865 TIMING: 1677200 CPU: 5339.99, 0.00318319/step Wall: 5339.99, 0.00318319/step, 2.93809 hours remaining, 241.730469 MB of memory in use. ENERGY: 1677200 4016.6896 20466.8564 14495.7241 254.2128 -203627.6522 2594.4824 0.0000 0.0000 52208.2839 -109591.4031 300.0417 -161799.6870 -109222.1436 299.6540 -39.6883 -6.6092 761688.4184 10.9469 10.9698 PRESSURE: 1677400 25.6569 67.4442 3.96684 67.4447 -90.7519 -2.02669 3.96597 -2.02681 -44.1472 GPRESSURE: 1677400 46.1776 56.3116 2.06971 88.2501 -48.2274 33.5449 35.6489 21.4564 -12.4936 PRESSAVG: 1677400 60.8177 35.6416 -18.8679 35.6416 -39.0224 -6.81933 -18.8678 -6.81941 -8.82455 GPRESSAVG: 1677400 60.5029 35.0671 -18.9171 36.0484 -38.584 -3.95592 -18.8422 -9.31147 -8.70188 TIMING: 1677400 CPU: 5340.63, 0.00317173/step Wall: 5340.63, 0.00317172/step, 2.92733 hours remaining, 241.730469 MB of memory in use. ENERGY: 1677400 3904.0461 20584.5141 14511.1166 255.2700 -203678.3503 2674.0393 0.0000 0.0000 52118.8193 -109630.5450 299.5276 -161749.3643 -109261.5215 298.7425 -36.4141 -4.8478 760374.1348 4.3236 4.4057 PRESSURE: 1677600 -102.629 14.5315 139.273 14.5321 4.71689 -289.218 139.273 -289.219 142.243 GPRESSURE: 1677600 18.9716 22.3454 91.5484 55.0895 -75.6924 -344.55 -66.1076 -243.506 186.787 PRESSAVG: 1677600 39.7002 -15.9977 -13.7697 -15.9977 -53.7432 -18.3123 -13.7698 -18.3124 10.9589 GPRESSAVG: 1677600 40.18 -15.5259 -12.9252 -16.3946 -53.2808 -20.0059 -13.2709 -16.9111 10.346 TIMING: 1677600 CPU: 5341.27, 0.00320465/step Wall: 5341.27, 0.00320465/step, 2.95753 hours remaining, 241.730469 MB of memory in use. ENERGY: 1677600 3960.4893 20619.3029 14520.3610 251.8149 -203412.0296 2632.4015 0.0000 0.0000 51965.0738 -109462.5863 298.6440 -161427.6601 -109104.9412 298.7457 14.7768 43.3553 762625.3011 -1.0280 -0.9182 PRESSURE: 1677800 12.4185 70.5044 110.062 70.5041 28.3008 133.938 110.062 133.938 -162.755 GPRESSURE: 1677800 73.2738 15.5903 132.558 -55.2733 48.1589 120.129 45.4008 20.4978 -150.993 PRESSAVG: 1677800 33.306 16.0715 -26.7689 16.0714 -52.0335 1.84741 -26.7691 1.84742 -2.14018 GPRESSAVG: 1677800 33.7911 14.6955 -26.2063 15.2778 -52.591 4.17751 -29.3989 -0.630594 -1.89664 TIMING: 1677800 CPU: 5341.9, 0.00317936/step Wall: 5341.9, 0.00317936/step, 2.93402 hours remaining, 241.730469 MB of memory in use. ENERGY: 1677800 3916.4329 20528.9418 14522.2540 255.7106 -203324.8333 2586.4432 0.0000 0.0000 51938.7907 -109576.2602 298.4929 -161515.0509 -109217.1586 298.9815 -40.6785 -9.8535 761638.7258 -6.9559 -6.8989 PRESSURE: 1678000 261.494 193.027 -174.116 193.027 120.582 54.3712 -174.117 54.3708 324.285 GPRESSURE: 1678000 336.735 135.487 -212.927 159.911 175.981 56.5536 -106.631 295.119 285.92 PRESSAVG: 1678000 75.617 -10.8066 -18.2386 -10.8066 -67.0691 90.0137 -18.2386 90.0138 4.01925 GPRESSAVG: 1678000 75.3534 -11.3854 -16.9398 -10.3339 -65.7529 89.5156 -19.6543 92.3259 3.17104 TIMING: 1678000 CPU: 5342.55, 0.00321429/step Wall: 5342.55, 0.00321429/step, 2.96607 hours remaining, 241.730469 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: 1678000 3985.0691 20609.8385 14450.1380 225.8336 -203439.5046 2637.5164 0.0000 0.0000 51940.0653 -109591.0436 298.5003 -161531.1089 -109225.3448 298.5900 235.4537 266.2121 760680.7629 4.1890 4.2572 PRESSURE: 1678200 -240.709 69.6101 -228.343 69.6107 -151.559 238.01 -228.344 238.012 -5.02311 GPRESSURE: 1678200 -147.202 -2.79195 -201.087 111.315 -193.067 295.517 -157.919 261.616 22.475 PRESSAVG: 1678200 75.7786 22.6581 0.313888 22.658 -51.6987 25.164 0.313934 25.164 -0.762325 GPRESSAVG: 1678200 75.5047 22.2545 -1.81092 24.0044 -52.1432 24.7945 3.85606 25.0535 0.256445 TIMING: 1678200 CPU: 5343.19, 0.00320341/step Wall: 5343.19, 0.00320341/step, 2.95586 hours remaining, 241.730469 MB of memory in use. ENERGY: 1678200 3972.7301 20552.3836 14430.9373 259.1805 -203227.8527 2334.5759 0.0000 0.0000 52243.6008 -109434.4445 300.2447 -161678.0452 -109080.5948 299.4819 -132.4302 -105.9312 761925.3107 7.7725 7.8726 PRESSURE: 1678400 262.017 -10.2407 27.4835 -10.2405 -34.8025 -2.68795 27.4833 -2.68836 315.979 GPRESSURE: 1678400 344.539 -177.319 138.803 48.9704 80.6422 2.5162 -29.392 -56.5149 200.344 PRESSAVG: 1678400 46.7518 -69.3483 -9.06206 -69.3483 -68.1811 -29.3479 -9.06209 -29.3479 4.79149 GPRESSAVG: 1678400 46.9347 -67.2644 -8.86085 -71.5621 -68.9835 -30.5828 -9.8552 -29.8495 6.0586 TIMING: 1678400 CPU: 5343.82, 0.00318003/step Wall: 5343.82, 0.00318003/step, 2.9341 hours remaining, 241.730469 MB of memory in use. ENERGY: 1678400 3986.3408 20550.2770 14472.0730 253.4822 -203209.3955 2510.1555 0.0000 0.0000 51976.4995 -109460.5677 298.7097 -161437.0671 -109108.4225 299.4723 181.0642 208.5086 761366.2544 -5.5459 -5.3301 PRESSURE: 1678600 253.734 -111.118 96.9027 -111.118 -209.806 212.713 96.9025 212.713 265.918 GPRESSURE: 1678600 349.637 -68.0103 130.788 -125.513 -154.27 220.921 151.615 -8.45166 222.231 PRESSAVG: 1678600 21.0873 9.37016 24.0559 9.37022 -30.446 13.5715 24.0559 13.5715 27.3545 GPRESSAVG: 1678600 21.9538 9.8304 23.7466 10.0367 -30.3323 14.9845 22.0991 11.461 26.1569 TIMING: 1678600 CPU: 5344.46, 0.00320327/step Wall: 5344.46, 0.00320327/step, 2.95537 hours remaining, 241.730469 MB of memory in use. ENERGY: 1678600 3958.7928 20556.4482 14518.0929 266.4469 -203137.2794 2609.1522 0.0000 0.0000 51662.0684 -109566.2779 296.9026 -161228.3464 -109203.9054 299.3345 103.2821 139.1994 760256.9063 5.9986 5.9261 PRESSURE: 1678800 116.143 178.553 -107.625 178.553 59.4071 -81.7348 -107.625 -81.7364 -176.556 GPRESSURE: 1678800 77.0007 176.528 -31.6179 39.4948 162.118 -149.101 -121.224 -49.8351 -154.709 PRESSAVG: 1678800 55.9348 -6.73909 -32.8762 -6.73903 -36.847 -22.1405 -32.8762 -22.1406 -5.87779 GPRESSAVG: 1678800 55.6396 -6.48798 -32.0772 -5.52797 -37.1003 -24.6362 -31.0326 -19.4949 -5.52986 TIMING: 1678800 CPU: 5345.1, 0.00318442/step Wall: 5345.1, 0.00318442/step, 2.93781 hours remaining, 241.730469 MB of memory in use. ENERGY: 1678800 3983.4115 20607.0466 14435.5662 249.1392 -203375.9197 2441.0483 0.0000 0.0000 51713.8543 -109945.8537 297.2002 -161659.7079 -109597.4505 298.0926 -0.3352 28.1365 759838.5287 4.4033 4.3365 PRESSURE: 1679000 -200.475 40.3584 -198.057 40.3584 -423.228 -335.867 -198.056 -335.867 -13.3043 GPRESSURE: 1679000 -89.6166 126.112 -172.75 0.791031 -471.283 -389.224 -108.173 -294.263 25.4788 PRESSAVG: 1679000 32.6327 14.8246 -30.756 14.8245 -6.59841 2.7796 -30.756 2.77958 2.99496 GPRESSAVG: 1679000 32.5174 11.75 -32.3675 15.7156 -5.83185 3.38772 -29.8672 3.14364 1.96864 TIMING: 1679000 CPU: 5345.74, 0.00320419/step Wall: 5345.74, 0.00320419/step, 2.95586 hours remaining, 241.730469 MB of memory in use. ENERGY: 1679000 3976.5519 20467.8353 14429.8667 244.8824 -203369.1784 2405.5889 0.0000 0.0000 51981.5242 -109862.9291 298.7385 -161844.4533 -109501.4774 298.1312 -212.3359 -178.4737 761705.8098 9.6764 9.5514 PRESSURE: 1679200 142.52 -134.417 -140.068 -134.418 -302.532 -184.114 -140.068 -184.114 -537.474 GPRESSURE: 1679200 160.905 -106.391 -129.953 -123.402 -304.481 -203.463 31.8072 -133.73 -469.141 PRESSAVG: 1679200 2.70098 -39.4134 -17.304 -39.4134 -48.4604 -34.9423 -17.304 -34.9423 -18.4632 GPRESSAVG: 1679200 2.15659 -37.8869 -14.9601 -40.3788 -49.1021 -33.6697 -19.0222 -35.7957 -17.1697 TIMING: 1679200 CPU: 5346.38, 0.00317966/step Wall: 5346.38, 0.00317966/step, 2.93306 hours remaining, 241.730469 MB of memory in use. ENERGY: 1679200 4005.6694 20471.1148 14415.3453 229.5485 -203409.0177 2514.6745 0.0000 0.0000 51873.6467 -109899.0184 298.1186 -161772.6651 -109527.5548 298.5472 -232.4952 -204.2390 761413.4296 -21.4075 -21.3717 PRESSURE: 1679400 70.1938 103.375 121.737 103.375 -309.557 88.815 121.737 88.8147 -116.271 GPRESSURE: 1679400 107.845 -17.0497 187.004 189.169 -331.271 37.6507 138.342 19.4799 -64.1379 PRESSAVG: 1679400 64.0812 -63.3402 -7.04293 -63.3402 -68.8443 19.7491 -7.04293 19.7491 13.1884 GPRESSAVG: 1679400 64.6572 -62.1604 -7.95297 -64.0348 -68.972 18.594 -7.10986 20.4225 12.9608 TIMING: 1679400 CPU: 5347.02, 0.00320193/step Wall: 5347.02, 0.00320193/step, 2.95342 hours remaining, 241.730469 MB of memory in use. ENERGY: 1679400 4058.7520 20401.7589 14513.6166 254.1191 -203434.8747 2494.8706 0.0000 0.0000 51808.3139 -109903.4436 297.7431 -161711.7575 -109545.2579 298.1858 -118.5449 -95.8547 758162.2683 2.8084 2.8820 PRESSURE: 1679600 42.4425 38.3038 159.543 38.3041 -159.453 -97.8398 159.543 -97.8413 244.88 GPRESSURE: 1679600 61.8059 148.03 95.5249 -11.9077 -166.955 -31.2753 11.4496 -78.3174 292.876 PRESSAVG: 1679600 22.5309 -12.9489 45.6497 -12.9489 23.5753 -6.51578 45.6497 -6.51582 8.42688 GPRESSAVG: 1679600 22.7247 -12.6993 44.1387 -11.9714 23.8951 -6.11761 46.7328 -6.87462 7.78997 TIMING: 1679600 CPU: 5347.66, 0.00320643/step Wall: 5347.66, 0.00320643/step, 2.9574 hours remaining, 241.730469 MB of memory in use. ENERGY: 1679600 3907.4257 20534.4354 14477.4192 218.0933 -203276.6951 2314.0649 0.0000 0.0000 51796.5374 -110028.7192 297.6754 -161825.2566 -109669.7465 298.4292 42.6233 62.5755 759557.4264 18.1777 18.1366 PRESSURE: 1679800 -317.433 218.401 119.272 218.401 -217.653 228.932 119.273 228.932 -319.909 GPRESSURE: 1679800 -307.674 219.912 122.039 219.663 -188.363 152.83 55.7452 85.8694 -285.801 PRESSAVG: 1679800 35.4292 1.2192 -11.9329 1.21921 -62.9984 48.1619 -11.9329 48.1619 12.4602 GPRESSAVG: 1679800 34.4776 0.221271 -10.385 0.028302 -62.7115 50.1107 -12.4936 45.1869 12.7644 TIMING: 1679800 CPU: 5348.3, 0.00320562/step Wall: 5348.3, 0.00320562/step, 2.95647 hours remaining, 241.730469 MB of memory in use. ENERGY: 1679800 4027.8798 20537.9581 14453.8916 256.5215 -203402.0776 2343.1725 0.0000 0.0000 51839.0770 -109943.5771 297.9199 -161782.6541 -109582.5303 298.4135 -284.9985 -260.6126 760399.3018 -5.0363 -5.1565 PRESSURE: 1680000 -400.796 -18.8627 -13.786 -18.8618 -421.24 67.4484 -13.786 67.4479 -97.2735 GPRESSURE: 1680000 -383.166 -2.0615 95.4165 -30.5122 -363.248 115.349 -91.4962 103.149 -101.232 PRESSAVG: 1680000 62.9052 4.65991 0.804262 4.65988 -62.703 37.3262 0.804284 37.3262 23.9819 GPRESSAVG: 1680000 63.8743 5.03324 -1.22471 3.13925 -62.0878 35.4292 2.96805 37.7316 22.5665 TIMING: 1680000 CPU: 5348.94, 0.00318418/step Wall: 5348.94, 0.00318418/step, 2.93652 hours remaining, 241.730469 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: 1680000 4036.6403 20619.5368 14485.0479 246.0977 -203628.2714 2254.9669 0.0000 0.0000 52124.4941 -109861.4877 299.5602 -161985.9819 -109505.1063 298.9764 -306.4368 -282.5487 760484.1306 8.0613 8.1177 PRESSURE: 1680200 -65.7901 -77.8821 -49.8003 -77.8831 398.042 13.9311 -49.7999 13.9311 -164.112 GPRESSURE: 1680200 22.427 -76.9675 -56.5059 -22.0647 347.823 -60.4041 -66.1091 88.3658 -145.071 PRESSAVG: 1680200 21.0469 -1.95576 19.6656 -1.95576 -35.2907 1.70628 19.6657 1.7062 -1.5179 GPRESSAVG: 1680200 20.4713 -2.33878 22.1326 1.5116 -35.7758 2.70118 18.2674 3.69619 -0.532551 TIMING: 1680200 CPU: 5349.57, 0.00317873/step Wall: 5349.57, 0.00317873/step, 2.93132 hours remaining, 241.730469 MB of memory in use. ENERGY: 1680200 3919.9571 20416.9466 14433.3543 257.2143 -203541.8081 2755.2632 0.0000 0.0000 52176.7607 -109582.3118 299.8606 -161759.0726 -109216.3656 298.8950 56.0469 75.0599 760027.2789 -5.2539 -5.2790 LDB: ============= START OF LOAD BALANCING ============== 5362.03 LDB: ============== END OF LOAD BALANCING =============== 5362.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5362.03 LDB: ============= START OF LOAD BALANCING ============== 5362.35 LDB: Largest compute 7060 load 0.036536 is 18.7% of average load 0.195197 LDB: Average compute 0.004425 is 2.3% of average load 0.195197 LDB: TIME 5362.35 LOAD: AVG 0.195197 MAX 0.215178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.043 MB LDB: TIME 5362.35 LOAD: AVG 0.195197 MAX 0.215178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.047 MB LDB: TIME 5362.35 LOAD: AVG 0.195197 MAX 0.215178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.047 MB LDB: ============== END OF LOAD BALANCING =============== 5362.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5362.36 PRESSURE: 1680400 270.28 93.6314 62.2798 93.6312 160.178 162.569 62.2799 162.569 -87.2918 GPRESSURE: 1680400 374.667 95.7304 52.1762 104.375 214.641 82.4447 65.4346 152.632 -154.156 PRESSAVG: 1680400 48.1969 -13.596 12.4555 -13.596 -71.0158 8.49976 12.4555 8.49972 -9.76351 GPRESSAVG: 1680400 49.7033 -11.8334 10.4912 -15.982 -71.4358 6.90742 11.4652 9.84025 -10.3686 TIMING: 1680400 CPU: 5350.22, 0.00325869/step Wall: 5350.22, 0.00325869/step, 3.00488 hours remaining, 241.957031 MB of memory in use. ENERGY: 1680400 4010.1729 20445.6910 14461.8493 245.4187 -203898.5691 2893.3415 0.0000 0.0000 52428.0173 -109414.0783 301.3045 -161842.0956 -109053.7808 298.9211 114.3888 145.0508 759878.1937 -10.8608 -10.7004 PRESSURE: 1680600 1.00784 34.0562 -137.883 34.0561 210.313 -137.814 -137.883 -137.814 571.417 GPRESSURE: 1680600 148.207 73.0357 -125.815 103.44 144.169 -154.945 -105.013 -122.238 555.409 PRESSAVG: 1680600 34.3623 -8.83551 17.6153 -8.83554 -83.362 -35.6524 17.6152 -35.6525 -2.86412 GPRESSAVG: 1680600 34.3168 -11.099 17.6629 -7.5629 -83.6794 -33.8385 18.2102 -36.5337 -2.66242 TIMING: 1680600 CPU: 5350.86, 0.00319537/step Wall: 5350.86, 0.00319537/step, 2.94631 hours remaining, 242.156250 MB of memory in use. ENERGY: 1680600 4036.7054 20570.3658 14473.9398 260.7028 -203789.1821 2889.2178 0.0000 0.0000 52072.6555 -109485.5950 299.2623 -161558.2505 -109124.3965 299.3257 260.9126 282.5950 759964.8702 -17.2879 -17.3417 PRESSURE: 1680800 -238.171 -80.1045 47.1666 -80.1044 -143.931 -104.24 47.1674 -104.24 131.344 GPRESSURE: 1680800 -196.783 -129.97 29.8647 -125.315 -61.5121 -175.395 0.118803 -63.3564 72.7578 PRESSAVG: 1680800 7.96034 -53.7302 10.5252 -53.7302 39.2605 -70.388 10.5252 -70.3879 -29.517 GPRESSAVG: 1680800 5.63777 -52.8577 11.1282 -53.4936 40.1699 -71.1324 10.5394 -72.7075 -28.8746 TIMING: 1680800 CPU: 5351.5, 0.0031716/step Wall: 5351.5, 0.0031716/step, 2.92422 hours remaining, 242.156250 MB of memory in use. ENERGY: 1680800 3990.3452 20565.9924 14439.0915 242.6296 -203363.2959 2412.3842 0.0000 0.0000 52012.5044 -109700.3486 298.9166 -161712.8530 -109338.1901 298.7642 -83.5857 -61.8459 760158.3267 5.9013 5.6444 PRESSURE: 1681000 -40.7224 -72.4842 45.624 -72.4834 -151.87 83.8652 45.624 83.8656 42.6245 GPRESSURE: 1681000 79.2277 -22.3637 69.0122 40.553 -169.409 91.4499 43.534 122.52 36.6177 PRESSAVG: 1681000 18.684 -22.9652 24.8013 -22.9652 2.83484 -41.0968 24.8013 -41.0968 -3.91601 GPRESSAVG: 1681000 20.3336 -22.8855 26.2884 -22.7127 1.85632 -42.4506 24.4172 -38.3555 -4.92575 TIMING: 1681000 CPU: 5352.14, 0.00320309/step Wall: 5352.14, 0.00320309/step, 2.95307 hours remaining, 242.156250 MB of memory in use. ENERGY: 1681000 4079.3719 20506.7786 14387.5872 242.2149 -203401.2777 2438.8765 0.0000 0.0000 52120.6478 -109625.8008 299.5381 -161746.4486 -109268.5668 299.2005 -49.9894 -17.8546 759619.4507 5.8676 5.7547 PRESSURE: 1681200 -122.829 79.0831 18.0094 79.0844 61.0874 223.782 18.0082 223.782 106.271 GPRESSURE: 1681200 -12.4534 5.41374 16.2352 61.616 -38.7028 311.592 -42.6206 201.009 175.477 PRESSAVG: 1681200 38.1276 -22.9809 0.279555 -22.9809 -55.1883 -53.8598 0.279594 -53.8599 -4.65388 GPRESSAVG: 1681200 38.3385 -22.0401 -1.49458 -23.3552 -55.6095 -50.5176 2.12068 -55.168 -3.93188 TIMING: 1681200 CPU: 5352.78, 0.00320099/step Wall: 5352.78, 0.00320099/step, 2.95096 hours remaining, 242.156250 MB of memory in use. ENERGY: 1681200 3965.3605 20615.8718 14423.3049 245.9714 -203223.0978 2478.3872 0.0000 0.0000 51994.5580 -109499.6439 298.8134 -161494.2020 -109147.8313 299.1582 14.8433 41.4404 761293.5650 -7.2382 -7.0676 PRESSURE: 1681400 54.422 -153.45 187.658 -153.451 -25.3947 -0.630142 187.657 -0.630981 -144.788 GPRESSURE: 1681400 121.782 -189.123 204.016 -182.956 -7.82796 73.0484 273.238 -47.9319 -147.424 PRESSAVG: 1681400 51.9078 12.2703 -15.784 12.2703 25.3443 -42.3477 -15.784 -42.3477 9.97104 GPRESSAVG: 1681400 52.7449 10.6643 -15.3551 13.0227 25.4109 -43.8606 -18.0106 -41.5902 9.07844 TIMING: 1681400 CPU: 5353.42, 0.00320032/step Wall: 5353.42, 0.00320032/step, 2.95016 hours remaining, 242.156250 MB of memory in use. ENERGY: 1681400 4012.6316 20544.3786 14477.9399 242.0167 -203615.3959 2807.3151 0.0000 0.0000 52053.6721 -109477.4418 299.1532 -161531.1139 -109110.2023 299.7278 -38.5870 -11.1567 761279.0369 29.0744 29.0781 PRESSURE: 1681600 92.9076 119.129 -177.439 119.129 71.6461 -131.939 -177.438 -131.938 -199.892 GPRESSURE: 1681600 69.8775 137.613 -108.269 77.5239 147.27 -102.641 -198.178 -22.4629 -144.02 PRESSAVG: 1681600 29.7743 9.57415 57.6255 9.57415 -39.4732 -12.4233 57.6255 -12.4234 21.5952 GPRESSAVG: 1681600 27.3782 8.24756 58.2399 9.91676 -39.3402 -13.4604 58.3523 -10.2905 23.7331 TIMING: 1681600 CPU: 5354.05, 0.00318376/step Wall: 5354.05, 0.00318376/step, 2.93472 hours remaining, 242.156250 MB of memory in use. ENERGY: 1681600 3972.8945 20602.8526 14405.4333 252.8898 -203535.1513 2668.2690 0.0000 0.0000 52146.1111 -109486.7010 299.6844 -161632.8121 -109126.6142 299.5348 -11.7794 24.3758 760771.0169 3.9655 3.9237 PRESSURE: 1681800 -194.823 34.2106 140.58 34.2106 112.943 -131.91 140.58 -131.909 -59.4514 GPRESSURE: 1681800 -92.971 -52.9753 90.1681 -15.4394 128.719 -54.1201 139.21 -108.166 -129.551 PRESSAVG: 1681800 -14.2956 -10.6045 7.1215 -10.6046 12.9965 16.3275 7.12148 16.3275 -10.9895 GPRESSAVG: 1681800 -13.4425 -8.42569 5.35069 -13.1385 13.3888 17.595 6.20548 13.8247 -12.8907 TIMING: 1681800 CPU: 5354.7, 0.00320545/step Wall: 5354.7, 0.00320545/step, 2.95453 hours remaining, 242.156250 MB of memory in use. ENERGY: 1681800 3933.0451 20498.1668 14449.0452 250.5086 -203186.2292 2435.5149 0.0000 0.0000 52159.2268 -109460.7218 299.7598 -161619.9487 -109091.1171 299.5929 -47.1104 -31.2676 760959.1353 -4.0962 -4.3148 PRESSURE: 1682000 55.9735 -25.3897 -69.7678 -25.3888 123.542 158.323 -69.7689 158.322 31.7568 GPRESSURE: 1682000 23.0347 43.2397 -27.2436 -87.4758 213.3 98.746 -145.615 219.677 59.9103 PRESSAVG: 1682000 -26.6305 -21.7531 0.686588 -21.753 9.94802 -17.6649 0.686662 -17.6649 -20.0031 GPRESSAVG: 1682000 -27.0095 -23.7675 1.20567 -19.2725 8.96866 -18.1611 2.75432 -16.4474 -17.7825 TIMING: 1682000 CPU: 5355.34, 0.00321461/step Wall: 5355.34, 0.00321461/step, 2.9628 hours remaining, 242.156250 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: 1682000 3964.8591 20438.4901 14524.1480 255.6846 -203633.0799 2776.0865 0.0000 0.0000 52313.1879 -109360.6237 300.6446 -161673.8116 -108990.7754 299.4644 70.4239 98.7483 760485.1766 -12.2285 -11.9411 PRESSURE: 1682200 -99.5533 -17.7446 -76.4865 -17.7448 -28.7375 64.0597 -76.4868 64.0598 412.116 GPRESSURE: 1682200 37.5783 56.7272 -155.812 -100.356 -31.9915 27.0322 30.7956 35.4045 358.626 PRESSAVG: 1682200 21.6032 7.67501 -33.0644 7.67502 39.2313 -38.0271 -33.0644 -38.0271 -8.19427 GPRESSAVG: 1682200 22.9647 10.5871 -32.9085 6.18105 38.9939 -37.8891 -35.5657 -38.2122 -9.81867 TIMING: 1682200 CPU: 5355.98, 0.00319032/step Wall: 5355.98, 0.00319032/step, 2.94023 hours remaining, 242.156250 MB of memory in use. ENERGY: 1682200 3999.4643 20514.2234 14424.9867 243.3795 -203446.9681 2624.9348 0.0000 0.0000 51996.3330 -109643.6465 298.8236 -161639.9795 -109281.7981 299.5048 94.6084 121.4043 761169.5827 17.5467 17.3800 PRESSURE: 1682400 -21.0715 43.1207 -117.423 43.12 -66.3786 -165.234 -117.423 -165.234 -155.267 GPRESSURE: 1682400 3.40965 -21.2291 -48.4098 -5.66647 32.3487 -177.146 -151.027 -82.3668 -187.619 PRESSAVG: 1682400 33.5767 -15.4501 16.8632 -15.4501 -14.9108 -17.8016 16.8631 -17.8017 14.4439 GPRESSAVG: 1682400 33.075 -16.2881 16.0677 -16.5583 -14.0644 -16.7071 19.1662 -19.3856 14.0715 TIMING: 1682400 CPU: 5356.62, 0.00320615/step Wall: 5356.62, 0.00320615/step, 2.95465 hours remaining, 242.156250 MB of memory in use. ENERGY: 1682400 3974.9748 20459.3226 14479.9569 232.8538 -203232.3980 2530.6740 0.0000 0.0000 51893.5882 -109661.0278 298.2332 -161554.6159 -109306.3068 299.4639 -80.9058 -50.6201 760903.1070 11.0366 11.0273 PRESSURE: 1682600 -68.721 -33.9073 191.058 -33.907 -131.696 -13.6696 191.058 -13.6689 -314.419 GPRESSURE: 1682600 123.156 -86.2331 114.669 -9.74017 -216.217 -49.6803 66.3926 36.5531 -357.361 PRESSAVG: 1682600 11.8486 -2.07867 18.3846 -2.07869 -18.6151 -29.7866 18.3846 -29.7866 -17.5155 GPRESSAVG: 1682600 12.8703 -5.78405 18.7433 1.41134 -19.2273 -29.3681 17.3885 -28.0062 -17.5145 TIMING: 1682600 CPU: 5357.26, 0.00319993/step Wall: 5357.26, 0.00319992/step, 2.94873 hours remaining, 242.156250 MB of memory in use. ENERGY: 1682600 3877.5076 20563.1771 14391.9624 246.0820 -202883.5531 2397.3040 0.0000 0.0000 51892.3613 -109515.1588 298.2261 -161407.5201 -109152.7849 299.4574 -171.6120 -150.1408 761024.4794 -8.0940 -7.9572 PRESSURE: 1682800 109.782 139.373 86.1736 139.373 -74.3881 -163.475 86.1727 -163.476 -151.94 GPRESSURE: 1682800 123.233 165.975 56.6613 76.7714 6.12021 -148.153 18.4757 -200.087 -157.484 PRESSAVG: 1682800 50.8206 -11.5094 47.9882 -11.5094 -37.1336 2.19857 47.9882 2.19861 2.14993 GPRESSAVG: 1682800 49.7869 -8.90836 46.8684 -13.1671 -36.4892 0.851519 49.213 1.14284 2.87203 TIMING: 1682800 CPU: 5357.9, 0.00320099/step Wall: 5357.9, 0.00320099/step, 2.94954 hours remaining, 242.156250 MB of memory in use. ENERGY: 1682800 3957.7492 20573.5696 14392.8550 237.9884 -203419.6816 2516.9319 0.0000 0.0000 52105.2316 -109635.3559 299.4495 -161740.5875 -109282.2296 299.1153 -38.8487 -9.3770 763181.9339 5.2790 5.3899 PRESSURE: 1683000 136.614 -92.316 80.0819 -92.3162 -362.686 39.0294 80.0813 39.0292 -127.884 GPRESSURE: 1683000 50.3523 -75.8481 24.2709 -86.275 -218.042 9.38771 69.097 -5.87646 -101.214 PRESSAVG: 1683000 58.4259 -3.38197 24.1849 -3.38192 -89.0867 -27.7457 24.1848 -27.7458 -1.53059 GPRESSAVG: 1683000 57.17 -2.88188 24.9221 -3.45475 -88.4229 -27.3943 22.7626 -27.6652 -0.753832 TIMING: 1683000 CPU: 5358.54, 0.00319798/step Wall: 5358.54, 0.00319798/step, 2.94658 hours remaining, 242.156250 MB of memory in use. ENERGY: 1683000 4017.4462 20565.9446 14528.8412 217.5007 -203485.3324 2619.6128 0.0000 0.0000 52051.1716 -109484.8155 299.1388 -161535.9870 -109128.2895 298.8347 -117.9852 -89.6345 762404.3456 -10.7305 -10.6689 PRESSURE: 1683200 150.003 -128.748 -110.975 -128.747 179.978 53.4686 -110.975 53.4685 212.542 GPRESSURE: 1683200 208.873 -64.7399 -110.112 27.2855 213.249 84.438 -126.97 131.473 190.432 PRESSAVG: 1683200 62.6164 -30.0123 37.5514 -30.0123 -91.4657 -15.4305 37.5513 -15.4305 -2.93768 GPRESSAVG: 1683200 64.3723 -29.6952 37.2288 -29.4101 -91.6085 -14.8301 37.2045 -15.4624 -4.1551 TIMING: 1683200 CPU: 5359.18, 0.00321463/step Wall: 5359.18, 0.00321463/step, 2.96174 hours remaining, 242.156250 MB of memory in use. ENERGY: 1683200 3896.6815 20438.4012 14466.5405 263.4809 -203392.0657 2689.3653 0.0000 0.0000 52010.4506 -109627.1456 298.9048 -161637.5962 -109257.0332 299.3012 180.8410 204.1848 761219.4858 -10.5957 -10.4638 PRESSURE: 1683400 497.735 133.587 -56.2337 133.587 -29.7301 -189.938 -56.2338 -189.939 54.6313 GPRESSURE: 1683400 594.055 173.683 -10.3169 88.1697 22.1029 -290.612 -110.893 -193.328 -8.08592 PRESSAVG: 1683400 56.3644 -4.358 -3.76681 -4.35805 -66.7745 -39.7388 -3.7669 -39.7388 -8.96364 GPRESSAVG: 1683400 55.1776 -1.91218 -4.49129 -5.0182 -66.1257 -40.4511 -3.46974 -39.8173 -9.31267 TIMING: 1683400 CPU: 5359.82, 0.00317155/step Wall: 5359.82, 0.00317155/step, 2.92187 hours remaining, 242.156250 MB of memory in use. ENERGY: 1683400 4040.9783 20625.6156 14457.0938 240.3427 -203441.5360 2592.2090 0.0000 0.0000 52001.6367 -109483.6599 298.8541 -161485.2966 -109136.2463 298.7590 174.2120 202.6907 760113.3119 -6.4579 -6.7536 PRESSURE: 1683600 96.2079 -154.444 -144.395 -154.443 -99.2336 86.6696 -144.395 86.6701 -435.882 GPRESSURE: 1683600 81.3278 -143.582 -107.626 -156.504 -38.8962 168.51 -193.628 101.193 -399.84 PRESSAVG: 1683600 89.4555 -82.7475 -59.8131 -82.7476 -90.1819 7.15947 -59.8131 7.15945 -10.1185 GPRESSAVG: 1683600 89.2776 -85.6359 -58.1712 -82.3191 -90.1035 5.53276 -60.0705 7.50502 -9.81457 TIMING: 1683600 CPU: 5360.45, 0.00317936/step Wall: 5360.45, 0.00317936/step, 2.9289 hours remaining, 242.156250 MB of memory in use. ENERGY: 1683600 4036.0181 20545.8111 14363.8094 251.2576 -203412.5990 2659.0791 0.0000 0.0000 51955.0415 -109601.5823 298.5863 -161556.6238 -109242.5311 298.6498 -146.3026 -119.1362 762094.9792 -3.6150 -3.5468 PRESSURE: 1683800 68.176 -191.645 84.9262 -191.645 182.893 -151.604 84.927 -151.603 -161.05 GPRESSURE: 1683800 79.821 -154.455 71.2371 -188.034 190.277 -181.395 118.685 -101.156 -118.449 PRESSAVG: 1683800 40.2286 -33.8143 20.3144 -33.8143 -38.2818 16.4231 20.3144 16.4231 -15.0549 GPRESSAVG: 1683800 39.9811 -34.1463 19.0983 -32.4144 -38.3765 18.2337 21.3544 16.6756 -14.1592 TIMING: 1683800 CPU: 5361.09, 0.00320022/step Wall: 5361.09, 0.00320022/step, 2.94794 hours remaining, 242.156250 MB of memory in use. ENERGY: 1683800 3959.9791 20636.1670 14392.9667 240.7571 -203501.0113 2567.2729 0.0000 0.0000 51906.7687 -109797.0998 298.3089 -161703.8685 -109436.3832 298.8506 30.0064 50.5497 762398.9334 -4.3694 -4.1849 PRESSURE: 1684000 37.0261 -76.0474 93.2382 -76.0478 -3.32318 11.9155 93.2381 11.9149 -70.3719 GPRESSURE: 1684000 150.807 -139.032 168.889 -193.567 -33.0227 39.3574 -3.19705 -118.814 -53.7727 PRESSAVG: 1684000 -21.5794 -46.4779 26.9858 -46.4779 -15.3398 64.5708 26.9858 64.5709 -4.38197 GPRESSAVG: 1684000 -20.4718 -47.2629 26.0585 -48.3752 -16.3785 64.3685 28.7477 63.9332 -4.82446 TIMING: 1684000 CPU: 5361.73, 0.00318879/step Wall: 5361.73, 0.00318879/step, 2.93723 hours remaining, 242.156250 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: 1684000 3925.8804 20568.4298 14309.5138 252.6043 -203539.2491 2660.8429 0.0000 0.0000 51970.8995 -109851.0784 298.6775 -161821.9779 -109485.8466 298.4061 -12.2230 21.3371 760140.3093 -13.7670 -13.8916 PRESSURE: 1684200 -248.779 -226.747 32.5599 -226.746 120.486 110.095 32.5592 110.095 -99.1189 GPRESSURE: 1684200 -184.205 -190.767 89.9669 -289.921 87.7704 130.74 -80.2199 77.4257 -39.6786 PRESSAVG: 1684200 18.0163 -36.436 84.1134 -36.4361 10.6345 12.0874 84.1134 12.0874 33.4627 GPRESSAVG: 1684200 18.9164 -35.6922 85.4042 -36.3008 9.99975 12.5958 81.7088 12.5384 33.078 TIMING: 1684200 CPU: 5362.37, 0.00320052/step Wall: 5362.37, 0.00320052/step, 2.94786 hours remaining, 242.156250 MB of memory in use. ENERGY: 1684200 3929.4962 20465.2698 14409.6074 227.7139 -203281.2459 2495.2558 0.0000 0.0000 51688.0912 -110065.8116 297.0522 -161753.9027 -109693.5837 298.0233 -75.8038 -45.3711 761935.7054 20.7045 20.6647 LDB: ============= START OF LOAD BALANCING ============== 5374.83 LDB: ============== END OF LOAD BALANCING =============== 5374.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5374.83 LDB: ============= START OF LOAD BALANCING ============== 5375.15 LDB: Largest compute 7059 load 0.035711 is 18.3% of average load 0.195154 LDB: Average compute 0.004394 is 2.3% of average load 0.195154 LDB: TIME 5375.15 LOAD: AVG 0.195154 MAX 0.213145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.176 MB LDB: TIME 5375.15 LOAD: AVG 0.195154 MAX 0.213145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.219 MB LDB: TIME 5375.15 LOAD: AVG 0.195154 MAX 0.213145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.219 MB LDB: ============== END OF LOAD BALANCING =============== 5375.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5375.16 PRESSURE: 1684400 -35.6754 85.7803 -70.2212 85.7793 41.2121 350.924 -70.2226 350.925 201.227 GPRESSURE: 1684400 -32.4792 34.8105 20.8701 27.7614 124.318 407.14 -104.2 217.742 180.981 PRESSAVG: 1684400 40.0218 -44.2068 5.90742 -44.2068 -13.26 -2.52077 5.9074 -2.52071 -11.0595 GPRESSAVG: 1684400 38.7334 -43.9785 6.10235 -43.2372 -12.3092 -3.54645 6.31503 -2.7477 -10.5729 TIMING: 1684400 CPU: 5363.02, 0.0032765/step Wall: 5363.02, 0.0032765/step, 3.01765 hours remaining, 240.429688 MB of memory in use. ENERGY: 1684400 3956.8432 20426.7490 14480.7530 238.2410 -203523.9998 2643.0179 0.0000 0.0000 51860.7392 -109917.6565 298.0444 -161778.3957 -109549.4395 298.2448 68.9211 90.9399 762288.5096 5.2341 5.2838 PRESSURE: 1684600 46.1645 60.3543 -148.466 60.3546 -223.696 -188.04 -148.466 -188.04 339.514 GPRESSURE: 1684600 12.3539 125.27 -114.96 -112.863 -171.613 -150.783 -87.5747 -37.5239 407.63 PRESSAVG: 1684600 -15.0729 -8.62791 21.5867 -8.6279 -19.1732 -8.35384 21.5867 -8.35387 -0.613373 GPRESSAVG: 1684600 -15.3442 -6.4872 21.8173 -10.5563 -18.8001 -6.544 21.7725 -9.35076 -1.60162 TIMING: 1684600 CPU: 5363.66, 0.0031912/step Wall: 5363.66, 0.0031912/step, 2.93892 hours remaining, 240.429688 MB of memory in use. ENERGY: 1684600 3917.3467 20462.1067 14407.4894 237.6645 -203654.6908 2637.3915 0.0000 0.0000 51880.8466 -110111.8454 298.1599 -161992.6920 -109744.6298 297.7862 53.9940 82.7903 761881.3182 -11.6198 -11.9153 PRESSURE: 1684800 49.3576 -261.859 -87.4181 -261.859 416.472 133.476 -87.4181 133.476 22.1191 GPRESSURE: 1684800 46.9803 -77.4165 -99.088 -281.835 480.136 62.7501 -178.543 57.8122 58.867 PRESSAVG: 1684800 44.8297 -2.86931 7.41763 -2.86929 -97.0255 60.6436 7.41766 60.6437 -14.0973 GPRESSAVG: 1684800 44.4982 -2.91519 5.9252 -1.70022 -97.4938 57.4539 7.81014 62.2181 -13.5146 TIMING: 1684800 CPU: 5364.3, 0.0031876/step Wall: 5364.3, 0.0031876/step, 2.93543 hours remaining, 240.429688 MB of memory in use. ENERGY: 1684800 3853.8184 20394.2342 14331.2158 239.3438 -203987.3764 2985.0483 0.0000 0.0000 51989.9091 -110193.8068 298.7867 -162183.7158 -109836.9231 297.6841 162.6495 195.3277 761395.9752 -22.0977 -22.1701 PRESSURE: 1685000 101.381 -153.516 69.8443 -153.515 -410.947 -45.1992 69.8439 -45.1996 70.5094 GPRESSURE: 1685000 208.245 -92.8783 68.8246 -28.5695 -330.831 -81.4154 125.389 150.167 -32.2989 PRESSAVG: 1685000 52.9808 -55.6973 6.45829 -55.6974 -66.8137 14.8288 6.45824 14.8289 -8.69029 GPRESSAVG: 1685000 53.2395 -56.603 8.33703 -55.5511 -66.3408 15.7351 5.15102 14.541 -8.96643 TIMING: 1685000 CPU: 5364.94, 0.00318389/step Wall: 5364.94, 0.00318389/step, 2.93183 hours remaining, 240.429688 MB of memory in use. ENERGY: 1685000 3955.5715 20434.9456 14451.9522 266.8480 -203359.1159 2325.3226 0.0000 0.0000 51936.9965 -109987.4793 298.4826 -161924.4759 -109633.0573 297.6267 -79.6853 -51.6284 761059.1985 -7.5077 -7.3559 PRESSURE: 1685200 -178.274 -127.739 -91.888 -127.739 410.492 188.729 -91.888 188.73 14.4494 GPRESSURE: 1685200 -49.4752 36.8837 -152.593 -182.368 352.967 77.3682 -17.8161 200.482 29.545 PRESSAVG: 1685200 -30.4319 -16.9438 -33.8097 -16.9438 -23.5877 9.56199 -33.8097 9.56203 0.695718 GPRESSAVG: 1685200 -29.4327 -17.1268 -36.7012 -17.6044 -25.6751 8.86501 -31.3986 11.3339 1.88323 TIMING: 1685200 CPU: 5365.58, 0.00321122/step Wall: 5365.58, 0.00321122/step, 2.95682 hours remaining, 240.429688 MB of memory in use. ENERGY: 1685200 3996.5013 20497.1418 14456.6522 238.1121 -203579.0311 2569.1913 0.0000 0.0000 51733.3925 -110088.0399 297.3125 -161821.4325 -109725.4043 298.1465 82.2223 111.0121 759773.8725 -17.7746 -17.7415 PRESSURE: 1685400 -7.7144 -73.7002 -0.319996 -73.6997 -224.563 204.854 -0.320362 204.855 -173.996 GPRESSURE: 1685400 -84.2199 -55.0591 21.0324 83.666 -137.137 231.218 -94.3171 212.448 -110.531 PRESSAVG: 1685400 26.7118 27.2787 -11.2855 27.2787 11.3393 29.7757 -11.2855 29.7757 18.6072 GPRESSAVG: 1685400 25.792 27.5276 -8.27752 27.4766 12.9783 30.4441 -13.0156 29.6375 18.23 TIMING: 1685400 CPU: 5366.22, 0.0032063/step Wall: 5366.22, 0.0032063/step, 2.95211 hours remaining, 240.429688 MB of memory in use. ENERGY: 1685400 3966.4945 20577.8728 14532.1730 241.2855 -203997.3985 2832.2987 0.0000 0.0000 51763.4694 -110083.8046 297.4854 -161847.2741 -109729.7881 297.8911 -135.4244 -110.6294 761152.9894 18.8861 19.0001 PRESSURE: 1685600 -435.67 33.363 -50.1635 33.3638 -25.2071 51.4331 -50.164 51.4329 -43.4351 GPRESSURE: 1685600 -395.213 -3.79853 -14.1924 30.2886 13.8737 43.5115 82.5572 -11.9747 -39.4703 PRESSAVG: 1685600 -4.96776 4.18067 -17.1622 4.18066 30.4534 30.3078 -17.1622 30.3078 -8.55333 GPRESSAVG: 1685600 -5.53523 5.06298 -18.9622 4.62707 31.233 30.4703 -16.298 29.1382 -8.71325 TIMING: 1685600 CPU: 5366.86, 0.00318943/step Wall: 5366.86, 0.00318943/step, 2.9364 hours remaining, 240.429688 MB of memory in use. ENERGY: 1685600 3982.6339 20654.7746 14432.1934 258.1642 -203747.1839 2572.3996 0.0000 0.0000 51785.8067 -110061.2114 297.6137 -161847.0182 -109695.2260 297.7133 -168.1041 -140.2699 762199.3657 5.6441 5.6615 PRESSURE: 1685800 -278.906 -72.0966 170.512 -72.0979 -166.776 -57.1456 170.512 -57.146 -92.6054 GPRESSURE: 1685800 -288.372 66.5706 46.5092 -83.1296 -133.735 -173.893 109.913 39.4785 -18.1451 PRESSAVG: 1685800 -22.6439 -12.0968 1.75642 -12.0969 28.486 22.4979 1.75643 22.498 10.3104 GPRESSAVG: 1685800 -22.0173 -13.6258 1.10821 -11.4359 28.1064 22.8495 -0.0364696 21.9909 10.3317 TIMING: 1685800 CPU: 5367.49, 0.00317718/step Wall: 5367.49, 0.00317718/step, 2.92495 hours remaining, 240.429688 MB of memory in use. ENERGY: 1685800 3905.5451 20558.9535 14495.6629 252.2816 -203724.7804 2711.5278 0.0000 0.0000 51696.6038 -110104.2059 297.1011 -161800.8097 -109747.0500 297.5110 -179.4293 -146.7507 761730.2608 5.3842 5.4736 PRESSURE: 1686000 -329.256 -16.9276 -125.183 -16.9265 -209.288 -107.664 -125.183 -107.665 433.719 GPRESSURE: 1686000 -220.977 -176.184 -100.67 17.6617 -221.875 -32.6859 -8.54208 -69.798 441.647 PRESSAVG: 1686000 2.5141 35.0627 -7.67149 35.0627 -18.3012 60.577 -7.67145 60.577 2.02872 GPRESSAVG: 1686000 2.30498 34.1137 -6.9862 35.0091 -16.9902 59.435 -6.16023 63.7096 0.892209 TIMING: 1686000 CPU: 5368.13, 0.00317652/step Wall: 5368.13, 0.00317652/step, 2.92416 hours remaining, 240.429688 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: 1686000 3907.3240 20372.2081 14550.7559 247.0251 -203265.2400 2413.0981 0.0000 0.0000 51708.4114 -110066.4174 297.1690 -161774.8287 -109705.4085 297.5603 -34.9416 -0.4016 762152.7769 -4.5861 -4.5977 PRESSURE: 1686200 -214.73 -90.2876 16.4193 -90.2872 78.4182 17.2619 16.4192 17.263 -8.73458 GPRESSURE: 1686200 -109.434 -136.204 -26.9063 39.0621 72.1882 29.569 74.8585 50.1119 -36.698 PRESSAVG: 1686200 -11.881 -9.31727 8.42003 -9.31731 4.04051 61.7385 8.41999 61.7385 -1.78922 GPRESSAVG: 1686200 -12.1678 -7.1886 8.90839 -12.06 3.65459 64.2173 8.18924 59.7985 -1.44635 TIMING: 1686200 CPU: 5368.77, 0.00319214/step Wall: 5368.77, 0.00319214/step, 2.93836 hours remaining, 240.429688 MB of memory in use. ENERGY: 1686200 4042.1756 20529.1058 14409.6650 245.0300 -203743.9024 2565.5327 0.0000 0.0000 51930.4823 -110021.9109 298.4452 -161952.3932 -109667.2653 297.7993 -48.3487 -24.6478 761368.4102 -3.2099 -3.3198 PRESSURE: 1686400 -93.9336 -153.181 347.877 -153.18 -393.788 -32.8317 347.876 -32.8327 141.018 GPRESSURE: 1686400 -174.165 -63.5363 271.993 -138.947 -280.317 -42.4015 335.748 -32.3304 192.709 PRESSAVG: 1686400 19.1778 10.4964 39.5597 10.4964 9.75337 3.65426 39.5597 3.6543 6.11684 GPRESSAVG: 1686400 18.7873 9.84556 39.9103 10.9906 8.97655 3.51978 38.7895 2.57226 7.52466 TIMING: 1686400 CPU: 5369.41, 0.00319474/step Wall: 5369.41, 0.00319474/step, 2.94058 hours remaining, 240.429688 MB of memory in use. ENERGY: 1686400 4081.7468 20496.0118 14495.9353 247.5976 -203763.2286 2603.5981 0.0000 0.0000 51843.1748 -109995.1642 297.9434 -161838.3390 -109639.5132 297.9522 -115.5679 -87.2576 762779.2057 11.6827 11.7628 PRESSURE: 1686600 -125.514 98.3231 91.8 98.3232 -3.09431 -24.5114 91.7999 -24.5101 -61.5054 GPRESSURE: 1686600 -58.3255 182.567 130.552 74.0327 21.6016 15.9703 -96.8898 -48.0872 -70.6708 PRESSAVG: 1686600 15.8351 4.47923 -36.5592 4.47923 -24.7005 30.4703 -36.5592 30.4703 1.08403 GPRESSAVG: 1686600 17.777 6.38838 -36.2664 4.44389 -25.172 30.2756 -34.7144 29.0239 0.347447 TIMING: 1686600 CPU: 5370.05, 0.00320425/step Wall: 5370.05, 0.00320425/step, 2.94915 hours remaining, 240.429688 MB of memory in use. ENERGY: 1686600 4011.9797 20510.7484 14472.5055 227.9428 -203788.8981 2714.3776 0.0000 0.0000 51827.7813 -110023.5628 297.8550 -161851.3441 -109662.4590 298.0480 -63.3711 -35.7982 761602.3589 -2.5938 -2.3492 PRESSURE: 1686800 -232.288 -129.184 60.5125 -129.184 64.0602 -22.5914 60.512 -22.5921 19.8449 GPRESSURE: 1686800 -221.215 -68.2645 73.9409 -54.6614 164.3 -91.3563 70.1516 69.5781 -18.156 PRESSAVG: 1686800 -13.9719 33.0338 -38.6814 33.0339 -22.0014 -22.7866 -38.6814 -22.7867 13.5738 GPRESSAVG: 1686800 -15.3029 32.6993 -39.1338 31.9184 -22.0881 -25.0239 -39.4055 -21.5117 15.2322 TIMING: 1686800 CPU: 5370.69, 0.00319318/step Wall: 5370.69, 0.00319318/step, 2.93879 hours remaining, 240.429688 MB of memory in use. ENERGY: 1686800 3991.4214 20555.3481 14441.3052 240.7515 -204107.9364 2926.6302 0.0000 0.0000 51892.4199 -110060.0601 298.2265 -161952.4800 -109701.2117 298.2023 -49.4610 -25.0238 760513.9415 -7.4665 -7.3863 PRESSURE: 1687000 76.9685 -67.0308 -48.5377 -67.0309 -162.782 140.889 -48.537 140.889 99.3872 GPRESSURE: 1687000 80.434 20.8446 -9.99757 37.4129 -99.5187 147.457 -18.549 68.6978 107.499 PRESSAVG: 1687000 14.0702 27.4678 -29.0092 27.4678 40.7583 -16.9393 -29.0092 -16.9392 10.9799 GPRESSAVG: 1687000 13.6238 25.6414 -29.3416 29.024 42.2441 -15.9439 -29.9305 -17.2093 9.57834 TIMING: 1687000 CPU: 5371.32, 0.00318607/step Wall: 5371.32, 0.00318607/step, 2.93207 hours remaining, 240.429688 MB of memory in use. ENERGY: 1687000 3982.8447 20420.0416 14445.8671 252.1297 -203597.4743 2663.7086 0.0000 0.0000 52036.6401 -109796.2425 299.0553 -161832.8825 -109431.7120 298.6679 4.5246 29.4715 761312.4322 21.9361 21.8154 PRESSURE: 1687200 -171.947 -202.742 -40.7657 -202.742 -0.620876 37.2722 -40.7663 37.2711 -165.8 GPRESSURE: 1687200 -69.9636 -352.353 -49.2493 -251.751 -2.83253 35.0187 -60.2482 79.869 -195.762 PRESSAVG: 1687200 -42.1174 -13.6857 -47.0621 -13.6856 17.7306 2.82604 -47.0622 2.82591 -9.59177 GPRESSAVG: 1687200 -40.4654 -12.7402 -46.7414 -14.8613 15.1386 2.73732 -46.4061 3.09104 -9.06704 TIMING: 1687200 CPU: 5371.96, 0.00319085/step Wall: 5371.96, 0.00319085/step, 2.93629 hours remaining, 240.429688 MB of memory in use. ENERGY: 1687200 4021.3025 20363.3723 14441.1382 252.3892 -203728.2898 2717.0032 0.0000 0.0000 52144.4630 -109788.6213 299.6749 -161933.0843 -109413.7045 298.6248 -112.7892 -89.5195 761533.8848 -11.3262 -11.4646 PRESSURE: 1687400 109.247 -79.9512 86.8651 -79.9513 260.218 -77.8325 86.8655 -77.833 23.7629 GPRESSURE: 1687400 81.7925 -85.2295 68.5119 -68.4634 338.057 -83.2861 162.671 -29.0402 59.1292 PRESSAVG: 1687400 21.6878 -46.6287 -11.7565 -46.6287 -20.2787 18.214 -11.7564 18.2141 30.342 GPRESSAVG: 1687400 20.4948 -46.9723 -10.2928 -45.5794 -18.7805 17.5507 -12.6415 19.137 29.8749 TIMING: 1687400 CPU: 5372.6, 0.00319101/step Wall: 5372.6, 0.00319101/step, 2.93626 hours remaining, 240.429688 MB of memory in use. ENERGY: 1687400 4069.8521 20417.1089 14523.9892 241.5310 -203956.3005 2788.9640 0.0000 0.0000 52203.1217 -109711.7335 300.0121 -161914.8553 -109346.6564 298.2651 131.0758 159.6596 758934.0994 10.5837 10.5297 PRESSURE: 1687600 -269.776 -2.38189 -68.0281 -2.38294 -268.38 -141.956 -68.0286 -141.955 -201.318 GPRESSURE: 1687600 -211.005 -43.8081 -123.421 -109.536 -233.473 -117.797 0.754776 -172.93 -215.551 PRESSAVG: 1687600 2.68472 -1.06706 -1.87618 -1.0671 5.54459 21.3253 -1.87625 21.3252 8.04002 GPRESSAVG: 1687600 3.35978 -2.05042 -4.37554 0.310342 5.79688 22.5864 -0.519356 20.3386 7.40539 TIMING: 1687600 CPU: 5373.24, 0.00319843/step Wall: 5373.24, 0.00319843/step, 2.94291 hours remaining, 240.429688 MB of memory in use. ENERGY: 1687600 4015.6537 20603.8698 14512.0313 234.3983 -202919.8256 2293.7759 0.0000 0.0000 51509.2495 -109750.8471 296.0244 -161260.0965 -109394.4376 298.8510 -246.4914 -220.0096 761687.0459 5.4231 5.5207 PRESSURE: 1687800 -209.637 -77.0456 -70.6276 -77.0458 -169.643 -70.6087 -70.6278 -70.6093 39.8915 GPRESSURE: 1687800 -214.308 -33.5411 -142.553 -54.2103 -119.494 -9.62536 -15.5648 -193.023 97.4516 PRESSAVG: 1687800 -2.90451 -27.5008 -88.1913 -27.5008 30.8479 -2.74767 -88.1913 -2.74764 -8.59972 GPRESSAVG: 1687800 -3.18535 -26.1228 -87.0917 -27.0191 30.0677 -1.55028 -88.7148 -2.86981 -8.28417 TIMING: 1687800 CPU: 5373.88, 0.00318541/step Wall: 5373.88, 0.00318541/step, 2.93075 hours remaining, 240.429688 MB of memory in use. ENERGY: 1687800 3944.9664 20499.3295 14509.7782 227.2489 -203489.2285 2772.7314 0.0000 0.0000 51777.4713 -109757.7028 297.5658 -161535.1741 -109407.6967 298.3210 -113.1294 -78.7834 762439.2550 6.4479 6.1994 PRESSURE: 1688000 -18.8794 -20.0868 183.277 -20.0867 33.8863 -4.86545 183.278 -4.86576 -272.938 GPRESSURE: 1688000 -5.33599 -1.82449 89.1874 -13.737 43.5322 13.4064 242.567 -62.9374 -229.007 PRESSAVG: 1688000 -3.41793 -24.0311 1.30729 -24.031 -2.2456 5.60314 1.30731 5.60321 4.69638 GPRESSAVG: 1688000 -3.90081 -22.039 0.844224 -26.1501 -3.39838 5.45634 2.22142 2.90189 5.56553 TIMING: 1688000 CPU: 5374.51, 0.00318336/step Wall: 5374.51, 0.00318336/step, 2.92869 hours remaining, 240.429688 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: 1688000 3964.4367 20533.3095 14478.3131 240.3329 -203363.8175 2617.6651 0.0000 0.0000 51891.7646 -109637.9956 298.2227 -161529.7602 -109274.5633 298.4361 -85.9769 -63.6038 761420.8372 -0.3224 -0.5779 PRESSURE: 1688200 55.4347 -127.944 -18.6434 -127.943 -132.517 -114.845 -18.6423 -114.845 136.38 GPRESSURE: 1688200 117.468 -143.419 -38.6267 -241.444 -148.985 -159.224 -18.9905 -173.881 159.323 PRESSAVG: 1688200 0.210172 -116.356 -6.98967 -116.356 22.4335 43.5773 -6.98975 43.5774 3.69536 GPRESSAVG: 1688200 1.84612 -117.229 -7.17574 -114.944 22.528 42.1215 -6.7222 45.2319 2.35246 TIMING: 1688200 CPU: 5375.15, 0.00319156/step Wall: 5375.15, 0.00319156/step, 2.93606 hours remaining, 240.429688 MB of memory in use. ENERGY: 1688200 3951.3029 20495.5028 14469.5471 256.4354 -203585.1740 2722.3622 0.0000 0.0000 52108.4518 -109581.5718 299.4680 -161690.0236 -109213.9816 299.3593 19.7658 42.6021 761741.3478 8.7797 8.9088 LDB: ============= START OF LOAD BALANCING ============== 5387.6 LDB: ============== END OF LOAD BALANCING =============== 5387.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5387.61 LDB: ============= START OF LOAD BALANCING ============== 5387.93 LDB: Largest compute 7068 load 0.037503 is 19.2% of average load 0.195100 LDB: Average compute 0.004413 is 2.3% of average load 0.195100 LDB: TIME 5387.93 LOAD: AVG 0.1951 MAX 0.214748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.406 MB LDB: TIME 5387.93 LOAD: AVG 0.1951 MAX 0.214748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.406 MB LDB: TIME 5387.93 LOAD: AVG 0.1951 MAX 0.214748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.406 MB LDB: ============== END OF LOAD BALANCING =============== 5387.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5387.94 PRESSURE: 1688400 281.024 -142.827 73.611 -142.827 -357.818 248.741 73.6102 248.74 -362.225 GPRESSURE: 1688400 293.365 -221.516 103.022 -209.126 -316.592 239.04 61.9019 238.358 -323.669 PRESSAVG: 1688400 57.5676 -61.4957 -26.6853 -61.4957 -39.3941 27.6597 -26.6853 27.6596 12.2668 GPRESSAVG: 1688400 57.1783 -62.2913 -25.1587 -61.5872 -38.4195 26.6634 -27.9101 30.7163 11.4628 TIMING: 1688400 CPU: 5375.8, 0.00326421/step Wall: 5375.8, 0.00326421/step, 3.00271 hours remaining, 239.929688 MB of memory in use. ENERGY: 1688400 3960.3038 20612.4154 14431.0135 265.1481 -203682.6018 2853.8738 0.0000 0.0000 52055.7930 -109504.0542 299.1654 -161559.8472 -109145.9631 298.9799 -146.3398 -115.6317 761244.9422 10.1468 10.0739 PRESSURE: 1688600 -162.011 -153.87 -69.2742 -153.871 -30.3123 339.744 -69.2741 339.744 16.6759 GPRESSURE: 1688600 -100.355 -199.353 -112.664 -157.278 -0.168125 269.086 -39.3239 250.879 26.2316 PRESSAVG: 1688600 50.6618 -43.2707 18.4373 -43.2707 -17.9516 34.9456 18.4373 34.9456 -15.0263 GPRESSAVG: 1688600 50.6595 -40.285 16.1737 -46.8364 -18.8252 36.7534 18.5406 32.7946 -13.7661 TIMING: 1688600 CPU: 5376.44, 0.00319728/step Wall: 5376.44, 0.00319728/step, 2.94096 hours remaining, 240.132812 MB of memory in use. ENERGY: 1688600 3966.2171 20500.7901 14487.1990 242.8351 -203346.3453 2600.8001 0.0000 0.0000 52051.4950 -109497.0089 299.1407 -161548.5039 -109136.1299 299.1327 -58.5491 -24.7637 763529.2918 5.8946 6.0227 PRESSURE: 1688800 -7.21187 -89.0275 234.592 -89.0275 -207.775 -309.316 234.591 -309.316 -249.296 GPRESSURE: 1688800 -12.4864 -99.2765 273.285 21.2956 -156.882 -350.537 84.4787 -88.2551 -197.79 PRESSAVG: 1688800 75.8002 -63.3343 -40.0778 -63.3343 -49.3512 80.7938 -40.0778 80.7938 -1.53741 GPRESSAVG: 1688800 73.8313 -64.7272 -38.7796 -61.0618 -48.9917 81.0616 -41.0342 80.5304 -0.0806048 TIMING: 1688800 CPU: 5377.08, 0.00318968/step Wall: 5377.08, 0.00318968/step, 2.9338 hours remaining, 240.132812 MB of memory in use. ENERGY: 1688800 4025.2054 20457.6552 14435.1778 230.0601 -203437.2787 2634.7340 0.0000 0.0000 52108.4665 -109545.9796 299.4681 -161654.4461 -109184.0400 298.8557 -154.7607 -122.3863 763357.6670 8.3039 8.2530 PRESSURE: 1689000 -53.6711 -87.5336 -27.015 -87.533 15.7414 -6.57231 -27.015 -6.57178 -8.88361 GPRESSURE: 1689000 93.3624 -98.5179 34.3436 -131.675 -10.7692 -48.3555 0.476848 24.6917 -43.6058 PRESSAVG: 1689000 50.425 -30.8669 -20.6186 -30.8669 -8.08198 41.9134 -20.6186 41.9133 17.0048 GPRESSAVG: 1689000 51.6904 -31.9991 -21.5435 -28.4337 -7.40163 42.6307 -18.9335 44.2844 15.1566 TIMING: 1689000 CPU: 5377.72, 0.00316933/step Wall: 5377.72, 0.00316933/step, 2.91491 hours remaining, 240.132812 MB of memory in use. ENERGY: 1689000 3986.4349 20299.8782 14473.0121 247.5046 -203526.9038 2820.0629 0.0000 0.0000 51847.4161 -109852.5950 297.9678 -161700.0111 -109483.0650 298.5341 -15.6044 12.9958 762925.6556 19.7826 19.8151 PRESSURE: 1689200 -196.751 12.8722 31.7442 12.8717 -451.786 33.643 31.7435 33.6432 118.129 GPRESSURE: 1689200 -181.058 -97.798 113.142 -13.9839 -306.569 47.9406 -44.3099 -8.41067 37.1947 PRESSAVG: 1689200 35.0065 -17.496 -10.4739 -17.496 -37.674 38.667 -10.4739 38.667 -12.2722 GPRESSAVG: 1689200 34.8235 -17.1069 -8.3747 -19.2097 -37.1824 37.6116 -11.0389 35.0926 -12.613 TIMING: 1689200 CPU: 5378.35, 0.00318921/step Wall: 5378.35, 0.00318921/step, 2.93301 hours remaining, 240.132812 MB of memory in use. ENERGY: 1689200 4002.8697 20324.2753 14505.5217 252.6185 -203468.4728 2802.2613 0.0000 0.0000 51875.0112 -109705.9151 298.1264 -161580.9263 -109342.1953 298.5638 -176.8028 -150.1443 764312.0777 -4.9799 -4.9906 PRESSURE: 1689400 248.606 188.417 150.56 188.417 -93.3579 -106.628 150.561 -106.629 344.4 GPRESSURE: 1689400 303.092 185.911 187.793 90.5606 -79.9367 -52.3612 59.2761 46.5405 366.744 PRESSAVG: 1689400 39.0789 19.8456 -4.57283 19.8456 -17.0623 2.83659 -4.57286 2.83656 14.7289 GPRESSAVG: 1689400 38.3177 20.4577 -5.53831 18.9518 -17.9912 3.5145 -4.32108 3.44595 16.6292 TIMING: 1689400 CPU: 5378.99, 0.0031608/step Wall: 5378.99, 0.0031608/step, 2.9067 hours remaining, 240.132812 MB of memory in use. ENERGY: 1689400 3941.1825 20481.4003 14504.7036 247.0235 -203404.4315 2463.5865 0.0000 0.0000 51882.9169 -109883.6182 298.1718 -161766.5351 -109532.4247 298.9216 166.5495 196.6333 760119.7630 12.2485 12.3185 PRESSURE: 1689600 223.297 -215.504 -139.329 -215.505 -174.967 107.841 -139.33 107.842 287.635 GPRESSURE: 1689600 252.473 -241.631 -196.244 -153.841 -81.0998 91.6826 -37.8422 109.781 240.787 PRESSAVG: 1689600 63.0321 2.57564 -9.26184 2.57564 -69.7496 53.871 -9.26185 53.8709 0.422505 GPRESSAVG: 1689600 63.3576 -0.160247 -9.93832 4.36395 -68.2302 52.3748 -7.08365 56.0513 -1.43823 TIMING: 1689600 CPU: 5379.62, 0.0031728/step Wall: 5379.62, 0.0031728/step, 2.91757 hours remaining, 240.132812 MB of memory in use. ENERGY: 1689600 3897.8586 20555.1897 14496.1363 227.7178 -203523.3748 2568.9949 0.0000 0.0000 52062.9897 -109714.4878 299.2067 -161777.4775 -109352.5866 298.9972 111.9884 137.3866 761645.6406 -2.0983 -2.1036 PRESSURE: 1689800 377.887 -127.885 0.0187582 -127.884 53.4132 -39.3239 0.0185351 -39.3242 265.527 GPRESSURE: 1689800 330.043 -100.766 13.8827 -83.6542 77.6881 -53.1663 35.7194 -76.9673 351.224 PRESSAVG: 1689800 96.617 -16.1126 0.531306 -16.1126 -31.9014 -24.9963 0.531306 -24.9964 16.6235 GPRESSAVG: 1689800 96.7369 -14.2373 -0.276181 -17.7343 -33.5803 -23.3905 -1.4487 -27.1699 17.9595 TIMING: 1689800 CPU: 5380.26, 0.00318375/step Wall: 5380.26, 0.00318375/step, 2.92746 hours remaining, 240.132812 MB of memory in use. ENERGY: 1689800 3920.8636 20551.5304 14458.8183 236.9496 -203664.2660 2683.7392 0.0000 0.0000 52061.1365 -109751.2285 299.1961 -161812.3649 -109392.0954 298.6093 232.2756 252.9851 761920.5299 27.1130 27.0387 PRESSURE: 1690000 45.8944 37.0583 178.003 37.059 -63.1888 -120.355 178.002 -120.355 243.216 GPRESSURE: 1690000 95.2529 -96.032 286.08 29.2557 40.6359 -12.3423 191.696 -62.7109 158.869 PRESSAVG: 1690000 1.0115 -71.9828 11.4154 -71.9828 -13.2868 0.923829 11.4154 0.92374 18.0549 GPRESSAVG: 1690000 1.93951 -72.8636 13.3181 -68.5944 -13.7722 -0.738119 11.386 4.74051 17.6827 TIMING: 1690000 CPU: 5380.9, 0.00320299/step Wall: 5380.9, 0.00320299/step, 2.94497 hours remaining, 240.132812 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: 1690000 3913.6374 20403.9633 14506.1146 249.1684 -203849.0438 2898.1948 0.0000 0.0000 52045.6882 -109832.2771 299.1073 -161877.9653 -109466.7657 298.5695 75.3073 98.2527 761948.0776 1.9266 1.9500 PRESSURE: 1690200 -72.9726 -15.227 -45.7506 -15.2263 259.456 -132.217 -45.7502 -132.218 213.614 GPRESSURE: 1690200 -104.404 -50.5873 -95.6058 17.5238 331.003 -173.137 10.1482 -86.2218 280.663 PRESSAVG: 1690200 9.78447 -14.797 34.2573 -14.797 18.8358 -5.67247 34.2572 -5.6725 10.3136 GPRESSAVG: 1690200 9.05016 -12.559 32.5449 -17.933 19.739 -4.98643 36.762 -9.75656 10.5852 TIMING: 1690200 CPU: 5381.54, 0.00320839/step Wall: 5381.54, 0.00320839/step, 2.94975 hours remaining, 240.132812 MB of memory in use. ENERGY: 1690200 4005.2759 20465.1996 14445.3776 250.3187 -203408.4212 2334.2296 0.0000 0.0000 51878.5162 -110029.5035 298.1465 -161908.0197 -109689.0415 298.0856 133.3657 169.0874 759894.4686 12.9779 13.1248 PRESSURE: 1690400 155.674 -68.3056 3.83144 -68.3062 -237.298 198.097 3.83194 198.097 40.0931 GPRESSURE: 1690400 137.053 -46.5919 -34.6092 -41.6979 -129.444 155.814 -75.0244 226.463 29.35 PRESSAVG: 1690400 36.5443 9.78341 -29.9989 9.78335 -13.4405 -1.46245 -29.9989 -1.46248 -0.327476 GPRESSAVG: 1690400 36.7142 8.74738 -29.0384 11.5798 -13.7617 -0.862603 -32.1982 -1.01521 -0.155592 TIMING: 1690400 CPU: 5382.18, 0.0031926/step Wall: 5382.18, 0.0031926/step, 2.93506 hours remaining, 240.132812 MB of memory in use. ENERGY: 1690400 3891.3278 20417.1313 14497.8188 239.6560 -203597.3760 2706.5798 0.0000 0.0000 51917.6526 -109927.2097 298.3715 -161844.8623 -109556.9608 297.9583 -13.8435 12.3194 761506.7173 7.5921 7.5990 PRESSURE: 1690600 -89.2785 -132.413 -84.7467 -132.414 338.318 73.5079 -84.7474 73.5083 287.053 GPRESSURE: 1690600 -22.6578 -189.801 -68.6078 -56.9288 283.029 121.657 -157.534 -16.0106 371.045 PRESSAVG: 1690600 2.05985 3.16122 -11.0805 3.16117 -18.3335 22.9217 -11.0805 22.9218 7.04829 GPRESSAVG: 1690600 2.8605 3.48781 -13.0345 1.76177 -19.3618 22.4183 -11.5621 23.1586 7.01461 TIMING: 1690600 CPU: 5382.82, 0.0031883/step Wall: 5382.82, 0.00318831/step, 2.93094 hours remaining, 240.132812 MB of memory in use. ENERGY: 1690600 3993.4425 20611.4832 14456.4069 255.2320 -203986.7290 2862.1577 0.0000 0.0000 52103.8120 -109704.1946 299.4413 -161808.0066 -109340.2720 298.0269 178.6975 210.4721 760340.3309 -3.0751 -3.1622 PRESSURE: 1690800 561.32 146.082 -229.817 146.083 190.975 68.2896 -229.818 68.2896 -38.0163 GPRESSURE: 1690800 550.218 32.3204 -147.312 -38.7255 213.613 50.9877 -203.982 17.3974 11.213 PRESSAVG: 1690800 8.40981 1.65409 -16.0393 1.65421 2.50011 87.1509 -16.0394 87.1509 -1.5216 GPRESSAVG: 1690800 7.68338 0.528401 -14.5041 2.67794 2.52724 87.278 -13.9306 87.1855 -1.29546 TIMING: 1690800 CPU: 5383.45, 0.00316781/step Wall: 5383.45, 0.00316781/step, 2.91192 hours remaining, 240.132812 MB of memory in use. ENERGY: 1690800 3989.5922 20698.6963 14423.4466 253.8301 -203719.7225 3005.5112 0.0000 0.0000 51694.7592 -109653.8869 297.0905 -161348.6461 -109302.7783 298.7131 238.0932 258.3482 759308.8252 3.1294 2.9717 PRESSURE: 1691000 174.434 95.1707 -34.3538 95.1705 -25.9736 10.632 -34.3545 10.6308 -266.962 GPRESSURE: 1691000 186.003 103.06 -32.7368 61.6041 40.8048 -50.4165 -20.2053 -17.6563 -262.402 PRESSAVG: 1691000 29.6793 -15.4252 10.4988 -15.4252 2.72728 37.243 10.4987 37.2431 -7.63475 GPRESSAVG: 1691000 28.9018 -15.9985 9.3748 -14.0004 3.53537 35.5829 10.0595 37.1092 -8.32484 TIMING: 1691000 CPU: 5384.08, 0.00317315/step Wall: 5384.08, 0.00317315/step, 2.91666 hours remaining, 240.132812 MB of memory in use. ENERGY: 1691000 4003.4527 20726.9999 14488.9217 250.3640 -203660.0470 2560.5734 0.0000 0.0000 51994.9292 -109634.8062 298.8156 -161629.7353 -109269.0855 299.4941 -39.5004 -11.8647 759554.7397 8.2573 8.0375 PRESSURE: 1691200 19.7088 -157.769 -28.4818 -157.77 273.636 -1.8125 -28.4821 -1.8135 -119.139 GPRESSURE: 1691200 53.413 -188.722 -58.0156 -304.21 281.836 -60.2762 -114.634 127.948 -52.7456 PRESSAVG: 1691200 -0.85206 -49.5158 -13.9048 -49.5158 33.1184 25.4628 -13.9048 25.4627 -6.65855 GPRESSAVG: 1691200 -0.484424 -47.5411 -12.5188 -53.6295 32.4427 28.6853 -15.8089 24.3842 -5.12345 TIMING: 1691200 CPU: 5384.72, 0.0031815/step Wall: 5384.72, 0.0031815/step, 2.92416 hours remaining, 240.132812 MB of memory in use. ENERGY: 1691200 3948.1511 20551.0212 14386.9623 236.0770 -203498.2642 2779.1492 0.0000 0.0000 51998.0389 -109598.8646 298.8334 -161596.9035 -109249.7295 298.6621 58.0685 94.1677 760971.0820 8.5359 8.9450 PRESSURE: 1691400 242.289 282.665 124.02 282.665 316.9 312.754 124.021 312.754 199.392 GPRESSURE: 1691400 270.252 140.136 160.811 344.438 350.476 383.094 243.231 166.031 208.527 PRESSAVG: 1691400 30.3802 20.5704 29.0919 20.5704 -52.1858 0.423376 29.0919 0.423391 6.90316 GPRESSAVG: 1691400 30.2674 18.261 29.0986 23.3062 -50.668 -1.75567 31.5593 2.9136 5.00818 TIMING: 1691400 CPU: 5385.36, 0.00319223/step Wall: 5385.36, 0.00319223/step, 2.93384 hours remaining, 240.132812 MB of memory in use. ENERGY: 1691400 3931.3842 20506.2948 14471.6085 258.0710 -203812.1819 2910.9345 0.0000 0.0000 52005.6984 -109728.1905 298.8775 -161733.8890 -109365.8661 298.6916 252.8605 276.4184 758776.4677 -4.9675 -5.1308 PRESSURE: 1691600 -128.284 -168.522 136.903 -168.52 -92.7567 151.603 136.903 151.603 -470.536 GPRESSURE: 1691600 -137.523 -233.515 155.215 -257.217 -83.8772 239.641 70.1999 118.053 -398.946 PRESSAVG: 1691600 33.4149 -78.1292 37.1447 -78.1291 -28.3762 11.2338 37.1447 11.2338 13.7622 GPRESSAVG: 1691600 33.2616 -75.536 37.8703 -80.9982 -29.7495 12.6478 33.4998 10.1505 15.2681 TIMING: 1691600 CPU: 5386, 0.00321607/step Wall: 5386, 0.00321607/step, 2.95557 hours remaining, 240.132812 MB of memory in use. ENERGY: 1691600 4020.9448 20403.1132 14409.8249 264.0847 -203589.8856 2355.8487 0.0000 0.0000 51986.0666 -110150.0026 298.7646 -162136.0692 -109783.6406 298.5290 -230.5256 -206.7819 759832.4406 6.2670 6.2601 PRESSURE: 1691800 -178.74 -143.3 -198.696 -143.299 14.9005 41.9199 -198.696 41.9193 -206.481 GPRESSURE: 1691800 -185.878 -110.534 -269.881 -144.693 91.6784 30.0959 -117.252 99.4892 -200.929 PRESSAVG: 1691800 24.2444 -129.221 -17.6216 -129.221 -14.9604 94.2409 -17.6216 94.2408 23.0774 GPRESSAVG: 1691800 22.8962 -132.071 -17.9577 -124.828 -13.2299 91.6957 -14.2707 92.9142 22.654 TIMING: 1691800 CPU: 5386.64, 0.00318124/step Wall: 5386.64, 0.00318124/step, 2.92338 hours remaining, 240.132812 MB of memory in use. ENERGY: 1691800 3988.5742 20631.7777 14415.2337 250.1038 -203574.8873 2552.5598 0.0000 0.0000 51889.1322 -109847.5060 298.2076 -161736.6383 -109484.8304 298.0428 -123.4400 -98.3764 760589.2844 10.7871 10.7734 PRESSURE: 1692000 -1.8166 -197.851 -10.6631 -197.851 180.208 -171.323 -10.6632 -171.323 145.593 GPRESSURE: 1692000 48.6851 -151.651 24.9617 -166.216 169.448 -115.3 -70.1328 -140.463 183.009 PRESSAVG: 1692000 -36.6799 -25.9606 12.8572 -25.9606 -7.42146 -10.6002 12.8572 -10.6002 -20.4656 GPRESSAVG: 1692000 -35.5899 -23.6417 12.6858 -26.3441 -8.31534 -10.5209 12.2193 -7.59312 -21.1135 TIMING: 1692000 CPU: 5387.28, 0.0031912/step Wall: 5387.28, 0.0031912/step, 2.93235 hours remaining, 240.132812 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: 1692000 3926.1330 20564.8385 14467.2892 255.8911 -203585.8799 2626.4877 0.0000 0.0000 51983.1250 -109762.1154 298.7477 -161745.2404 -109400.7703 299.2874 107.9949 133.7143 760591.2146 -21.5223 -21.6729 PRESSURE: 1692200 96.478 63.6673 151.996 63.6663 117.119 232 151.997 232 117.824 GPRESSURE: 1692200 118.157 -16.9601 71.2655 40.9457 183.86 310.258 94.9265 119.804 125.817 PRESSAVG: 1692200 3.41385 -24.1309 38.9951 -24.1308 23.6828 18.2428 38.995 18.2428 16.5665 GPRESSAVG: 1692200 2.53734 -24.6378 40.4973 -25.0097 22.9662 19.3351 37.8189 17.2499 17.6147 TIMING: 1692200 CPU: 5387.91, 0.00317648/step Wall: 5387.91, 0.00317648/step, 2.91866 hours remaining, 240.132812 MB of memory in use. ENERGY: 1692200 3910.7992 20304.8182 14478.2196 229.2834 -204025.1123 2898.8728 0.0000 0.0000 52354.5269 -109848.5922 300.8822 -162203.1191 -109473.8075 298.9058 110.4738 142.6114 760168.7579 14.5544 14.3727 LDB: ============= START OF LOAD BALANCING ============== 5400.36 LDB: ============== END OF LOAD BALANCING =============== 5400.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5400.37 LDB: ============= START OF LOAD BALANCING ============== 5400.68 LDB: Largest compute 7059 load 0.036849 is 18.9% of average load 0.195140 LDB: Average compute 0.004409 is 2.3% of average load 0.195140 LDB: TIME 5400.69 LOAD: AVG 0.19514 MAX 0.21208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.441 MB LDB: TIME 5400.69 LOAD: AVG 0.19514 MAX 0.21208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: TIME 5400.69 LOAD: AVG 0.19514 MAX 0.21208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: ============== END OF LOAD BALANCING =============== 5400.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5400.7 PRESSURE: 1692400 -193.067 31.0511 38.7041 31.0516 -33.2814 -2.77955 38.7033 -2.78014 -352.933 GPRESSURE: 1692400 -152.608 -13.4439 -0.51393 29.237 19.4785 87.209 -33.0224 -80.4586 -361.887 PRESSAVG: 1692400 -3.23479 4.69553 -24.7653 4.6955 22.4801 18.2307 -24.7654 18.2309 14.7025 GPRESSAVG: 1692400 -1.74863 5.87252 -24.6696 1.71443 22.0167 17.7564 -26.0547 17.1594 13.4471 TIMING: 1692400 CPU: 5388.56, 0.0032424/step Wall: 5388.56, 0.00324241/step, 2.97905 hours remaining, 239.417969 MB of memory in use. ENERGY: 1692400 3926.1662 20561.6898 14497.5385 261.7602 -203620.8043 2479.1358 0.0000 0.0000 51917.4008 -109977.1130 298.3700 -161894.5138 -109607.8415 298.8667 -193.0940 -165.0055 760952.4947 11.3159 11.2384 PRESSURE: 1692600 352.833 148.929 59.4668 148.929 294.735 10.984 59.4656 10.9843 14.3508 GPRESSURE: 1692600 342.13 43.907 79.5128 88.538 367.782 -28.1849 63.3258 -60.011 33.3615 PRESSAVG: 1692600 -10.7396 -44.1886 -30.8732 -44.1886 17.6297 47.1864 -30.8733 47.1864 -7.1055 GPRESSAVG: 1692600 -12.1042 -46.4733 -31.2501 -41.4299 18.101 47.5912 -28.4082 47.4045 -6.7502 TIMING: 1692600 CPU: 5389.19, 0.003172/step Wall: 5389.19, 0.003172/step, 2.91418 hours remaining, 239.660156 MB of memory in use. ENERGY: 1692600 4012.8306 20449.3856 14393.5030 242.8848 -203744.4521 2956.8251 0.0000 0.0000 51924.6966 -109764.3264 298.4119 -161689.0230 -109412.2330 298.6467 220.6394 247.7579 760215.8135 -0.0718 -0.2512 PRESSURE: 1692800 -341.893 -224.135 202.401 -224.135 -227.615 -142.268 202.402 -142.267 -305.768 GPRESSURE: 1692800 -286.524 -215.48 215.829 -145.191 -162.402 -142.758 106.946 -109.47 -345.492 PRESSAVG: 1692800 77.1521 -3.96394 -9.03755 -3.96398 -43.3939 51.3822 -9.03752 51.3823 -28.8703 GPRESSAVG: 1692800 76.1617 -2.97591 -9.23929 -3.50666 -43.7814 50.5583 -8.93599 53.3171 -28.0889 TIMING: 1692800 CPU: 5389.83, 0.00317796/step Wall: 5389.83, 0.00317796/step, 2.91948 hours remaining, 239.660156 MB of memory in use. ENERGY: 1692800 4001.2931 20586.7689 14437.2103 245.9629 -203512.0629 2366.5752 0.0000 0.0000 52170.0450 -109704.2075 299.8220 -161874.2525 -109346.4291 298.6854 -291.7588 -264.8059 762256.4163 1.6293 1.4305 PRESSURE: 1693000 -177.464 -119.474 -298.752 -119.473 137.736 215.094 -298.751 215.093 305.188 GPRESSURE: 1693000 -160.764 -88.7803 -307.304 -114.249 126.687 171.981 -295.037 222.113 383.523 PRESSAVG: 1693000 -57.5788 -99.614 -32.6406 -99.614 -24.5 -70.3079 -32.6406 -70.3078 -2.05751 GPRESSAVG: 1693000 -56.4086 -98.8212 -33.1264 -99.4213 -24.0786 -67.8809 -33.3347 -73.9283 -4.10805 TIMING: 1693000 CPU: 5390.46, 0.00317257/step Wall: 5390.46, 0.00317257/step, 2.91435 hours remaining, 239.660156 MB of memory in use. ENERGY: 1693000 4019.3870 20515.9391 14455.2646 249.8601 -203471.8257 2722.6526 0.0000 0.0000 51982.5820 -109526.1402 298.7446 -161508.7223 -109167.7362 299.4118 88.4864 116.4818 761550.5372 -28.0455 -28.1984 PRESSURE: 1693200 -129.801 140.206 185.38 140.206 -141.176 -74.8702 185.38 -74.8705 -143.729 GPRESSURE: 1693200 -153.542 122.788 101.239 152.228 -54.5623 -230.958 273.092 22.3295 -116.831 PRESSAVG: 1693200 1.49475 -34.2908 -7.90631 -34.2909 6.61562 -9.46932 -7.90626 -9.46933 0.978189 GPRESSAVG: 1693200 0.703853 -33.23 -6.79096 -36.7492 6.67671 -11.8304 -7.7166 -7.92802 1.27084 TIMING: 1693200 CPU: 5391.11, 0.00320682/step Wall: 5391.11, 0.00320682/step, 2.94564 hours remaining, 239.660156 MB of memory in use. ENERGY: 1693200 3988.0315 20555.3113 14425.1218 254.1046 -203086.4083 2383.6667 0.0000 0.0000 51741.1911 -109738.9812 297.3573 -161480.1724 -109382.1339 299.0376 -138.2353 -108.3117 761569.8298 3.0295 2.8838 PRESSURE: 1693400 -284.445 -18.1378 -187.415 -18.1385 -46.7536 -13.782 -187.414 -13.7812 -26.4821 GPRESSURE: 1693400 -234.318 18.318 -242.721 57.8757 -38.9866 24.0738 -30.4088 67.3769 -11.3896 PRESSAVG: 1693400 5.49126 -42.8598 28.9908 -42.8598 -34.5594 11.7567 28.9908 11.7567 -3.52979 GPRESSAVG: 1693400 4.20315 -42.3526 29.7252 -39.1259 -34.0203 12.5486 29.8176 13.8706 -2.78837 TIMING: 1693400 CPU: 5391.74, 0.00319015/step Wall: 5391.74, 0.00319015/step, 2.93015 hours remaining, 239.660156 MB of memory in use. ENERGY: 1693400 3992.7618 20524.9651 14432.3499 267.1743 -202865.3619 2230.9322 0.0000 0.0000 51863.4854 -109553.6934 298.0602 -161417.1788 -109199.9748 298.9111 -119.2269 -94.8979 761573.0138 -10.8660 -10.8685 PRESSURE: 1693600 -109.079 -13.0242 8.99791 -13.0229 -219.847 50.8195 8.99778 50.8182 -137.364 GPRESSURE: 1693600 -34.7471 9.91269 14.7164 -12.368 -205.995 125.588 -101.408 -32.7001 -111.173 PRESSAVG: 1693600 -20.4856 -80.934 9.75695 -80.9341 42.8599 -35.4947 9.75691 -35.4948 -13.2101 GPRESSAVG: 1693600 -18.8033 -79.8919 9.5199 -84.1018 42.3309 -35.0481 9.5147 -38.9578 -14.7507 TIMING: 1693600 CPU: 5392.38, 0.0031878/step Wall: 5392.38, 0.0031878/step, 2.92782 hours remaining, 239.660156 MB of memory in use. ENERGY: 1693600 4051.2437 20205.3551 14413.6025 241.4633 -203275.9456 2452.7394 0.0000 0.0000 52123.9145 -109787.6272 299.5569 -161911.5416 -109420.7264 298.4418 -155.4300 -117.3053 760964.6651 3.0548 2.9257 PRESSURE: 1693800 77.8262 -213.299 536.635 -213.3 -405.292 200.694 536.635 200.693 105.11 GPRESSURE: 1693800 127.1 -278.791 459.989 -117.015 -345.8 152.763 434.716 240.405 68.5215 PRESSAVG: 1693800 30.1122 -95.6492 12.2968 -95.6492 -18.724 -28.6941 12.2969 -28.6941 9.78014 GPRESSAVG: 1693800 29.2241 -98.3005 12.2174 -92.1798 -18.5392 -28.484 11.7404 -29.2234 10.72 TIMING: 1693800 CPU: 5393.02, 0.00317468/step Wall: 5393.02, 0.00317468/step, 2.91559 hours remaining, 239.660156 MB of memory in use. ENERGY: 1693800 3968.2631 20565.4173 14348.5861 244.5051 -203275.4752 2530.4271 0.0000 0.0000 51996.4322 -109621.8445 298.8242 -161618.2767 -109262.1651 298.9554 -74.1185 -50.0595 761191.5924 7.0561 7.1350 PRESSURE: 1694000 -238.2 -196.158 16.8414 -196.157 -199.462 182.826 16.8413 182.826 -374.345 GPRESSURE: 1694000 -210.123 -182.601 13.2851 -139.611 -160.724 160.69 200.002 175.177 -351.999 PRESSAVG: 1694000 49.8682 12.233 -11.2099 12.2329 -41.4029 -54.4969 -11.2098 -54.4969 -6.40202 GPRESSAVG: 1694000 49.5141 14.6819 -11.5968 9.77765 -41.914 -55.8195 -9.00505 -52.0451 -5.71515 TIMING: 1694000 CPU: 5393.65, 0.00317155/step Wall: 5393.65, 0.00317155/step, 2.91254 hours remaining, 239.660156 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: 1694000 4005.7442 20397.0862 14403.8451 228.7196 -203405.4152 2747.1338 0.0000 0.0000 51921.4694 -109701.4170 298.3934 -161622.8864 -109350.9898 298.7898 -270.6693 -240.9485 762347.1303 0.6877 0.6283 PRESSURE: 1694200 -34.5244 166.43 151.148 166.429 127.431 64.2287 151.148 64.2292 -466.647 GPRESSURE: 1694200 -43.235 294.202 129.689 192.547 118.777 166.76 220.253 -51.8404 -360.847 PRESSAVG: 1694200 -14.4702 -42.3761 -39.9235 -42.3761 -10.4748 42.0941 -39.9234 42.0941 7.79341 GPRESSAVG: 1694200 -13.9824 -44.7424 -40.5852 -38.5269 -9.91345 43.2393 -40.7625 41.6978 6.96039 TIMING: 1694200 CPU: 5394.29, 0.00317899/step Wall: 5394.29, 0.00317899/step, 2.91919 hours remaining, 239.660156 MB of memory in use. ENERGY: 1694200 3970.1202 20379.6105 14449.7350 226.5741 -203569.4541 2725.7387 0.0000 0.0000 51825.4877 -109992.1880 297.8418 -161817.6758 -109629.7197 298.3836 -124.5802 -95.1017 761879.4620 -5.7172 -5.6452 PRESSURE: 1694400 -19.1994 29.4961 168.112 29.4955 24.6965 -127.804 168.113 -127.803 18.9121 GPRESSURE: 1694400 80.6676 -40.3407 57.0881 -152.175 35.2708 -184.568 184.563 -90.6486 0.36186 PRESSAVG: 1694400 41.1096 -21.9116 69.997 -21.9117 4.455 -10.8286 69.997 -10.8286 -4.17202 GPRESSAVG: 1694400 40.8233 -18.9881 70.3981 -26.4062 3.99252 -12.3532 69.1307 -11.2431 -2.80106 TIMING: 1694400 CPU: 5394.92, 0.00317226/step Wall: 5394.92, 0.00317226/step, 2.91284 hours remaining, 239.660156 MB of memory in use. ENERGY: 1694400 3902.7735 20347.8034 14394.7276 284.5659 -203622.7281 2808.3081 0.0000 0.0000 51827.3450 -110057.2046 297.8525 -161884.5496 -109685.7207 298.3070 8.1364 38.7667 760556.4717 13.7975 14.0049 PRESSURE: 1694600 -233.554 66.7237 43.0709 66.7236 -220.468 -39.4305 43.0707 -39.4298 18.3832 GPRESSURE: 1694600 -158.75 137.884 140.723 -25.7004 -281 61.6633 182.246 0.924683 88.2082 PRESSAVG: 1694600 3.67702 -85.0995 16.8835 -85.0995 20.1388 1.37689 16.8836 1.3769 15.4339 GPRESSAVG: 1694600 4.27662 -87.3811 17.543 -83.7464 20.5539 1.747 16.7529 1.06682 14.3132 TIMING: 1694600 CPU: 5395.55, 0.0031571/step Wall: 5395.55, 0.0031571/step, 2.89874 hours remaining, 239.660156 MB of memory in use. ENERGY: 1694600 4062.1865 20433.6609 14399.9579 233.1230 -203356.8292 2578.5504 0.0000 0.0000 52015.0711 -109634.2794 298.9313 -161649.3505 -109265.2856 297.9230 -145.2129 -117.1807 763686.0659 13.0832 13.0479 PRESSURE: 1694800 -90.7858 -197.849 -84.4629 -197.849 -452.02 137.571 -84.4622 137.571 -150.873 GPRESSURE: 1694800 -102.466 -198.423 -91.7904 -139.914 -333.807 101.474 66.0271 72.1109 -186.097 PRESSAVG: 1694800 24.5486 -19.1366 43.0177 -19.1366 -24.6494 -13.239 43.0177 -13.2391 7.18466 GPRESSAVG: 1694800 25.0902 -18.2844 41.8864 -20.8374 -24.0476 -15.382 46.6167 -12.6674 6.4875 TIMING: 1694800 CPU: 5396.18, 0.00314476/step Wall: 5396.18, 0.00314476/step, 2.88724 hours remaining, 239.660156 MB of memory in use. ENERGY: 1694800 3940.8547 20507.9791 14464.9711 265.0210 -203393.8031 2488.7657 0.0000 0.0000 51868.1679 -109858.0435 298.0871 -161726.2115 -109487.3596 298.3169 -231.2263 -207.4567 762754.4822 2.3613 2.5100 PRESSURE: 1695000 339.79 209.177 188.449 209.177 38.169 -71.312 188.449 -71.312 725.898 GPRESSURE: 1695000 375.644 109.378 189.666 154.124 93.2942 -107.487 136.241 -26.4544 699.966 PRESSAVG: 1695000 -26.4458 -54.4322 22.1588 -54.4322 24.0119 -13.5206 22.1589 -13.5206 4.03472 GPRESSAVG: 1695000 -27.0243 -56.1773 23.0139 -51.3612 23.8839 -12.5921 21.713 -11.5013 4.66187 TIMING: 1695000 CPU: 5396.81, 0.00312872/step Wall: 5396.81, 0.00312872/step, 2.87234 hours remaining, 239.660156 MB of memory in use. ENERGY: 1695000 3956.5359 20470.9493 14474.8982 236.0795 -203800.1318 2739.7324 0.0000 0.0000 52148.0258 -109773.9107 299.6954 -161921.9365 -109418.6851 298.4847 367.9523 389.6348 760035.1284 0.5336 0.5072 PRESSURE: 1695200 -31.9099 101.721 -11.7668 101.722 -43.9347 -34.1097 -11.7668 -34.1105 -430.94 GPRESSURE: 1695200 49.655 111.558 106.298 59.0014 -59.1498 -110.719 -37.8286 40.7473 -408.576 PRESSAVG: 1695200 56.4652 -23.6247 33.1056 -23.6247 -15.4918 14.3493 33.1056 14.3492 -0.236953 GPRESSAVG: 1695200 58.437 -23.4269 33.9789 -24.6958 -15.8425 15.3928 29.923 13.8806 -1.57133 TIMING: 1695200 CPU: 5397.44, 0.00315466/step Wall: 5397.44, 0.00315466/step, 2.89598 hours remaining, 239.660156 MB of memory in use. ENERGY: 1695200 4049.9052 20592.5172 14384.6730 234.0543 -203488.1690 2520.5644 0.0000 0.0000 51803.9062 -109902.5487 297.7178 -161706.4549 -109539.4211 298.4029 -168.9281 -139.3568 760852.8405 13.5788 13.6744 PRESSURE: 1695400 -131.097 -183.282 131.927 -183.282 -4.6727 164.617 131.927 164.616 246.932 GPRESSURE: 1695400 -74.2168 -161.881 175.291 -122.66 42.9583 205.382 164.472 28.3351 207.203 PRESSAVG: 1695400 -2.83423 -51.9171 23.8586 -51.9171 -15.1449 43.512 23.8586 43.512 -12.7218 GPRESSAVG: 1695400 -4.1857 -51.0027 21.1192 -51.6979 -15.3614 44.112 26.7761 44.1236 -11.428 TIMING: 1695400 CPU: 5398.07, 0.00315976/step Wall: 5398.07, 0.00315976/step, 2.90049 hours remaining, 239.660156 MB of memory in use. ENERGY: 1695400 3990.8910 20617.4913 14400.3668 241.7824 -203715.2792 2541.3913 0.0000 0.0000 51969.1405 -109954.2159 298.6674 -161923.3564 -109583.0527 298.6689 37.0541 58.6482 759872.7368 -10.2337 -10.3250 PRESSURE: 1695600 207.571 -72.5563 -4.04886 -72.5559 123.747 317.259 -4.04895 317.259 19.099 GPRESSURE: 1695600 264.537 -91.5731 -35.7324 -116.699 87.1546 361.567 15.0062 347.501 83.3307 PRESSAVG: 1695600 -8.11688 -9.14531 -58.7814 -9.14534 0.993714 50.2609 -58.7813 50.2608 -9.79909 GPRESSAVG: 1695600 -8.80476 -9.61311 -58.0156 -8.41491 1.67009 50.8167 -59.8417 48.4463 -9.66881 TIMING: 1695600 CPU: 5398.7, 0.00315277/step Wall: 5398.7, 0.00315277/step, 2.89389 hours remaining, 239.660156 MB of memory in use. ENERGY: 1695600 3984.4339 20592.7513 14427.4267 251.8275 -204026.1122 2788.6877 0.0000 0.0000 51781.6985 -110199.2866 297.5901 -161980.9851 -109832.9056 298.2133 116.8058 145.0075 759338.3744 -5.6408 -5.6012 PRESSURE: 1695800 113.477 -264.911 -58.6853 -264.911 -112.891 -109.268 -58.6837 -109.268 162.683 GPRESSURE: 1695800 63.5879 -264.871 20.0188 -228.966 11.1535 -142.92 -23.2107 -75.8399 175.003 PRESSAVG: 1695800 48.9113 -9.6356 -39.601 -9.63562 -75.5505 18.6028 -39.601 18.6028 12.5884 GPRESSAVG: 1695800 50.3518 -9.33489 -38.9837 -11.8097 -76.1846 17.5775 -40.3405 21.0846 11.6249 TIMING: 1695800 CPU: 5399.33, 0.00314847/step Wall: 5399.33, 0.00314847/step, 2.88977 hours remaining, 239.660156 MB of memory in use. ENERGY: 1695800 3988.9797 20515.5766 14388.8253 240.9098 -203579.9581 2683.2019 0.0000 0.0000 51666.4739 -110095.9908 296.9279 -161762.4648 -109735.3394 297.7666 54.4232 83.2482 760530.8902 -4.6836 -4.7360 PRESSURE: 1696000 153.669 -115.56 -1.34476 -115.559 105.71 6.7725 -1.34507 6.77274 146.721 GPRESSURE: 1696000 143.81 -89.5292 -83.5242 -149.845 187.922 0.528884 -6.97984 145.445 157.9 PRESSAVG: 1696000 -10.2449 1.52472 -54.0704 1.52476 16.1197 43.2376 -54.0704 43.2376 -4.28992 GPRESSAVG: 1696000 -10.7902 3.38917 -53.7849 2.66216 17.2687 42.856 -52.1791 41.8024 -4.75605 TIMING: 1696000 CPU: 5399.96, 0.00314832/step Wall: 5399.96, 0.00314832/step, 2.88946 hours remaining, 239.660156 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: 1696000 4017.6576 20486.3836 14381.3109 242.6062 -203435.6120 2683.0408 0.0000 0.0000 51779.4660 -109845.1469 297.5773 -161624.6129 -109487.2489 298.2679 135.3668 163.2108 758599.4695 0.5283 0.5742 PRESSURE: 1696200 -517.529 138.482 -27.1431 138.482 -233.43 -36.642 -27.1426 -36.6427 -171.718 GPRESSURE: 1696200 -446.406 75.6109 41.1697 116.749 -213.442 2.72561 27.4786 3.30157 -171.803 PRESSAVG: 1696200 28.6156 24.9882 -8.63666 24.9882 1.36594 -37.1199 -8.63668 -37.1199 -20.0098 GPRESSAVG: 1696200 28.3207 24.1548 -7.86028 23.4747 0.609878 -37.6556 -11.2526 -36.0662 -18.8096 TIMING: 1696200 CPU: 5400.59, 0.00316647/step Wall: 5400.59, 0.00316647/step, 2.90594 hours remaining, 239.660156 MB of memory in use. ENERGY: 1696200 4066.6202 20564.7786 14401.7532 232.2558 -203246.3899 2509.8708 0.0000 0.0000 51848.5536 -109622.5578 297.9744 -161471.1114 -109254.0200 298.9981 -307.5590 -277.2169 762163.2154 3.3239 3.3736 LDB: ============= START OF LOAD BALANCING ============== 5413.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5413.05 LDB: =============== DONE WITH MIGRATION ================ 5413.05 LDB: ============= START OF LOAD BALANCING ============== 5413.37 LDB: Largest compute 7068 load 0.038436 is 19.7% of average load 0.195002 LDB: Average compute 0.004443 is 2.3% of average load 0.195002 LDB: TIME 5413.37 LOAD: AVG 0.195002 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.906 MB LDB: TIME 5413.37 LOAD: AVG 0.195002 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: TIME 5413.37 LOAD: AVG 0.195002 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.91 MB LDB: ============== END OF LOAD BALANCING =============== 5413.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5413.38 PRESSURE: 1696400 -15.1673 -208.298 -374.103 -208.298 -122.339 131.544 -374.104 131.545 248.422 GPRESSURE: 1696400 -9.60082 -282.094 -310.937 -186.717 -74.8853 80.9354 -198.05 34.7905 285.639 PRESSAVG: 1696400 5.91914 -25.1386 -29.9071 -25.1386 -37.4164 0.13488 -29.9071 0.134891 17.022 GPRESSAVG: 1696400 6.42778 -25.6397 -30.9904 -23.9586 -37.4759 1.49187 -27.6813 -3.13653 16.4214 TIMING: 1696400 CPU: 5401.24, 0.00323836/step Wall: 5401.24, 0.00323836/step, 2.97174 hours remaining, 240.699219 MB of memory in use. ENERGY: 1696400 3995.0072 20457.2748 14444.5898 249.0556 -203274.8345 2624.0528 0.0000 0.0000 51872.8731 -109631.9813 298.1141 -161504.8544 -109266.6964 298.9735 36.9718 67.0511 761572.4357 -4.8251 -4.8756 PRESSURE: 1696600 -121.282 -113.482 20.9956 -113.483 281.04 1.81915 20.9949 1.81987 82.8308 GPRESSURE: 1696600 -53.7491 -46.4761 52.4023 -187.952 284.959 28.0995 -100.054 -15.7805 91.5886 PRESSAVG: 1696600 7.91164 -22.8419 -37.0663 -22.8419 40.7488 15.1116 -37.0663 15.1115 -20.2443 GPRESSAVG: 1696600 7.34895 -21.9259 -37.1704 -21.3048 40.6837 15.0758 -38.4557 17.2209 -20.1909 TIMING: 1696600 CPU: 5401.87, 0.00316868/step Wall: 5401.87, 0.00316868/step, 2.90762 hours remaining, 240.699219 MB of memory in use. ENERGY: 1696600 3985.1810 20467.2826 14376.4624 243.9220 -203207.9384 2623.4472 0.0000 0.0000 51857.3456 -109654.2978 298.0249 -161511.6434 -109299.8241 298.9644 80.8630 107.5995 761463.8461 9.4720 9.2806 PRESSURE: 1696800 133.303 -102.523 89.3631 -102.524 -196.837 -138.416 89.3627 -138.415 -441.622 GPRESSURE: 1696800 155.982 -163.858 38.5502 12.8821 -92.0355 -181.882 25.366 -72.7985 -467.77 PRESSAVG: 1696800 -16.8663 -49.7121 38.0777 -49.7121 44.694 -39.6565 38.0777 -39.6564 -26.5385 GPRESSAVG: 1696800 -16.7324 -50.7489 38.5596 -50.9784 44.2889 -39.2353 38.3411 -40.1521 -26.0969 TIMING: 1696800 CPU: 5402.51, 0.00316997/step Wall: 5402.51, 0.00316997/step, 2.90863 hours remaining, 240.699219 MB of memory in use. ENERGY: 1696800 4004.2912 20432.2611 14403.8688 249.1601 -203472.2637 2762.1700 0.0000 0.0000 51944.9857 -109675.5270 298.5285 -161620.5126 -109308.5073 299.2281 -168.3851 -134.6079 761233.9917 0.4298 0.4865 PRESSURE: 1697000 52.9405 87.2583 65.5029 87.2569 303.371 -42.9901 65.5026 -42.9919 252.091 GPRESSURE: 1697000 153.706 165.859 139.972 224.553 259.464 -5.18309 -104.576 -88.7321 279.562 PRESSAVG: 1697000 41.872 -31.6679 20.5183 -31.6679 -11.2779 -17.7919 20.5183 -17.792 47.717 GPRESSAVG: 1697000 41.1 -31.0609 19.7984 -30.9868 -10.7809 -16.3759 19.4918 -18.0959 47.7607 TIMING: 1697000 CPU: 5403.14, 0.00315935/step Wall: 5403.14, 0.00315935/step, 2.8987 hours remaining, 240.699219 MB of memory in use. ENERGY: 1697000 4010.0292 20549.9011 14450.4220 234.4947 -203789.6621 2876.7938 0.0000 0.0000 51979.2283 -109688.7931 298.7253 -161668.0213 -109334.0307 298.8311 202.8011 230.9107 759621.3800 26.1037 26.0266 PRESSURE: 1697200 -371.104 21.4022 -173.615 21.4029 -161.449 -85.9659 -173.614 -85.9667 -231.69 GPRESSURE: 1697200 -255.64 23.1446 -137.049 43.0647 -148.193 -155.024 -47.8156 -86.5803 -266.862 PRESSAVG: 1697200 -33.4027 -16.8829 27.0071 -16.8829 37.3219 -17.98 27.0071 -17.98 -6.08662 GPRESSAVG: 1697200 -34.3172 -16.8524 28.4192 -17.64 38.2437 -20.1972 27.613 -17.5595 -6.12161 TIMING: 1697200 CPU: 5403.77, 0.00316005/step Wall: 5403.77, 0.00316005/step, 2.89917 hours remaining, 240.699219 MB of memory in use. ENERGY: 1697200 3963.3383 20393.9139 14514.5370 271.3378 -203349.5821 2631.9520 0.0000 0.0000 51842.9272 -109731.5759 297.9420 -161574.5031 -109369.3200 298.9389 -254.7474 -223.5654 761875.0876 -0.7225 -0.7317 PRESSURE: 1697400 -348.013 46.6835 -34.104 46.6839 -199.282 37.4062 -34.1041 37.4056 501.363 GPRESSURE: 1697400 -210.873 -23.1923 29.7805 -97.0367 -209.563 -24.0441 52.5629 59.9436 437.252 PRESSAVG: 1697400 -15.797 -60.7523 10.4497 -60.7523 27.7424 0.438456 10.4498 0.438445 0.799112 GPRESSAVG: 1697400 -13.6647 -61.1553 9.47904 -59.8956 26.3041 1.54639 11.0563 0.41944 0.387434 TIMING: 1697400 CPU: 5404.41, 0.00319447/step Wall: 5404.41, 0.00319447/step, 2.93057 hours remaining, 240.699219 MB of memory in use. ENERGY: 1697400 3980.2192 20539.0788 14476.0203 250.2196 -203633.9531 2667.0305 0.0000 0.0000 52100.3345 -109621.0502 299.4213 -161721.3847 -109257.2219 298.7878 -15.3108 5.6057 760668.2922 4.2482 4.3423 PRESSURE: 1697600 -281.21 -56.5231 -107.344 -56.5239 -439.014 123.218 -107.344 123.218 205.704 GPRESSURE: 1697600 -191.129 -161.375 -32.0141 -20.6274 -410.036 126.543 -100.654 12.6086 144.103 PRESSAVG: 1697600 6.71088 -10.7129 -24.727 -10.7129 11.9308 -14.941 -24.727 -14.9411 26.7204 GPRESSAVG: 1697600 7.13104 -10.3783 -23.141 -12.0983 11.394 -15.2085 -27.0768 -13.8601 26.6553 TIMING: 1697600 CPU: 5405.04, 0.00317038/step Wall: 5405.04, 0.00317038/step, 2.9083 hours remaining, 240.699219 MB of memory in use. ENERGY: 1697600 3956.2492 20543.9062 14463.5174 256.1638 -203511.7402 2511.6688 0.0000 0.0000 52016.2194 -109764.0154 298.9379 -161780.2348 -109392.7753 299.2923 -171.5066 -152.3540 760501.7842 15.1207 15.0601 PRESSURE: 1697800 2.53608 -43.1141 -77.5984 -43.115 20.4912 146.908 -77.5991 146.909 -400.259 GPRESSURE: 1697800 -57.2161 41.7581 -65.7606 -46.0153 55.7768 85.5468 -104.404 183.817 -281.44 PRESSAVG: 1697800 -33.4799 -4.0056 0.482484 -4.00561 47.2445 41.8176 0.482478 41.8176 14.1856 GPRESSAVG: 1697800 -34.4128 -3.89783 0.20325 -3.69509 47.5751 40.2326 0.949873 39.3146 14.5043 TIMING: 1697800 CPU: 5405.68, 0.00318383/step Wall: 5405.68, 0.00318383/step, 2.92046 hours remaining, 240.699219 MB of memory in use. ENERGY: 1697800 4035.0547 20407.9217 14490.0467 257.4912 -203651.3347 2675.2620 0.0000 0.0000 52029.6235 -109755.9349 299.0150 -161785.5584 -109394.5836 299.4191 -125.7439 -94.2932 760952.6559 9.3168 9.2222 PRESSURE: 1698000 -405.071 -188.027 -163.239 -188.028 -410.582 66.7649 -163.239 66.765 -34.3155 GPRESSURE: 1698000 -337.301 -51.3858 -142.384 -336.151 -358.221 29.4285 -3.30307 84.8475 -62.7298 PRESSAVG: 1698000 -29.6723 17.9578 -3.71541 17.9578 38.7713 29.8045 -3.71542 29.8045 -11.9215 GPRESSAVG: 1698000 -30.3774 16.0892 -4.73833 18.7744 39.7315 31.1683 -2.47541 30.4858 -12.2227 TIMING: 1698000 CPU: 5406.32, 0.00318124/step Wall: 5406.32, 0.00318124/step, 2.9179 hours remaining, 240.699219 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: 1698000 3907.1691 20382.9975 14530.4862 245.9134 -202972.3553 2231.2006 0.0000 0.0000 52063.4392 -109611.1492 299.2093 -161674.5884 -109245.8991 298.5597 -283.3231 -252.7506 762417.6581 -0.9408 -0.9562 PRESSURE: 1698200 -396.864 10.3899 83.716 10.3904 -390.299 119.534 83.7161 119.534 -528.901 GPRESSURE: 1698200 -400.91 -25.8633 102.933 -20.3344 -333.919 110.366 54.8517 17.5107 -510.854 PRESSAVG: 1698200 -48.6002 3.95031 -33.4863 3.95028 52.2373 -2.57822 -33.4863 -2.57822 -1.43692 GPRESSAVG: 1698200 -48.4873 3.36385 -34.3747 2.45441 53.0831 -2.38664 -31.1126 -2.99985 -1.84438 TIMING: 1698200 CPU: 5406.96, 0.00321111/step Wall: 5406.96, 0.00321111/step, 2.94513 hours remaining, 240.699219 MB of memory in use. ENERGY: 1698200 4004.1806 20515.2459 14477.6384 250.0249 -203385.1586 2523.7124 0.0000 0.0000 52060.9337 -109553.4228 299.1949 -161614.3564 -109188.9526 299.0157 -438.6878 -415.2276 763147.0393 0.7334 0.9171 PRESSURE: 1698400 -16.0801 -95.972 11.1631 -95.9714 -159.851 -198.861 11.1633 -198.861 261.142 GPRESSURE: 1698400 -11.0168 -69.909 6.06122 -96.7621 -93.4054 -181.747 -31.8825 -27.1618 258.782 PRESSAVG: 1698400 -39.2175 -29.8526 -44.4707 -29.8526 22.8005 -40.3606 -44.4707 -40.3605 -14.8493 GPRESSAVG: 1698400 -38.625 -26.4059 -43.8481 -30.1824 21.197 -39.9038 -47.0985 -39.8398 -14.1931 TIMING: 1698400 CPU: 5407.6, 0.00319713/step Wall: 5407.6, 0.00319713/step, 2.93212 hours remaining, 240.699219 MB of memory in use. ENERGY: 1698400 4005.8594 20440.4919 14363.9542 223.4325 -203146.6084 2513.7272 0.0000 0.0000 52018.2415 -109580.9018 298.9495 -161599.1433 -109224.3462 299.1109 28.4038 51.4531 761528.8165 -10.4221 -10.5403 PRESSURE: 1698600 -73.0768 115.285 -245.162 115.284 438.177 22.4729 -245.161 22.4736 -187.164 GPRESSURE: 1698600 -32.5891 -47.2419 -289.597 12.4687 497.558 17.3507 -123.7 155.965 -224.188 PRESSAVG: 1698600 -10.4007 -47.6148 -43.2333 -47.6148 -9.23462 14.1731 -43.2332 14.1732 0.153595 GPRESSAVG: 1698600 -11.1586 -50.5646 -43.3575 -46.1542 -8.70151 14.9525 -41.944 14.9863 -0.049455 TIMING: 1698600 CPU: 5408.24, 0.00319904/step Wall: 5408.24, 0.00319904/step, 2.9337 hours remaining, 240.699219 MB of memory in use. ENERGY: 1698600 4018.5767 20612.8393 14476.7407 242.6796 -202899.3498 2272.6277 0.0000 0.0000 51800.9921 -109474.8937 297.7010 -161275.8858 -109104.8114 298.8801 59.3119 80.2606 761873.1836 -6.4939 -6.6365 PRESSURE: 1698800 -256.457 -100.236 -7.97301 -100.236 -260.025 141.284 -7.97347 141.285 -224.171 GPRESSURE: 1698800 -232.884 -124.947 74.4888 24.5172 -246.739 43.0741 -25.9564 33.1418 -175.126 PRESSAVG: 1698800 -45.78 -40.1626 -45.7332 -40.1625 58.0346 7.58827 -45.7332 7.58833 -10.3024 GPRESSAVG: 1698800 -45.1514 -40.2879 -44.9182 -40.6068 57.0267 7.06515 -46.6571 7.98291 -9.88164 TIMING: 1698800 CPU: 5408.88, 0.00318914/step Wall: 5408.88, 0.00318915/step, 2.92445 hours remaining, 240.699219 MB of memory in use. ENERGY: 1698800 3985.5203 20525.8754 14381.4248 282.1163 -203299.4015 2327.6428 0.0000 0.0000 52183.9380 -109612.8838 299.9018 -161796.8218 -109236.7037 299.0239 -246.8845 -218.2500 760455.0749 0.6507 0.6645 PRESSURE: 1699000 8.11129 31.6088 -81.7725 31.61 98.284 -142.734 -81.7718 -142.733 297.925 GPRESSURE: 1699000 41.9536 27.1767 -113.415 -25.1315 63.9522 -87.9818 -142.927 -294.847 384.136 PRESSAVG: 1699000 -48.9367 -70.1974 -22.8864 -70.1974 46.6049 -23.6542 -22.8865 -23.6542 33.6543 GPRESSAVG: 1699000 -49.5863 -68.2416 -23.2519 -69.8567 47.4651 -23.9118 -23.472 -27.5558 33.4295 TIMING: 1699000 CPU: 5409.52, 0.00319789/step Wall: 5409.52, 0.00319789/step, 2.93229 hours remaining, 240.699219 MB of memory in use. ENERGY: 1699000 3950.9793 20513.4208 14455.2708 266.6363 -203636.6547 2846.5272 0.0000 0.0000 52030.0865 -109573.7337 299.0176 -161603.8202 -109209.4808 298.9362 134.7736 163.3472 759452.3537 10.4408 10.4361 PRESSURE: 1699200 -314.243 -203.859 10.2406 -203.859 -188.001 -187.338 10.2407 -187.339 -51.6515 GPRESSURE: 1699200 -163.904 -196.908 60.6555 -179.864 -218.626 -197.011 114.183 -125.003 -97.3157 PRESSAVG: 1699200 18.1517 -31.5897 -10.3499 -31.5897 15.675 3.97742 -10.3499 3.97742 24.3244 GPRESSAVG: 1699200 17.4234 -32.7765 -10.6044 -31.7183 16.6207 2.86701 -10.2972 6.56764 24.3111 TIMING: 1699200 CPU: 5410.16, 0.00319811/step Wall: 5410.16, 0.00319811/step, 2.93231 hours remaining, 240.699219 MB of memory in use. ENERGY: 1699200 3988.9049 20594.6148 14418.8491 275.4792 -203419.4688 2613.7607 0.0000 0.0000 52033.9467 -109493.9134 299.0398 -161527.8601 -109129.2663 299.2949 -184.6320 -159.9487 759978.4994 19.3837 19.4517 PRESSURE: 1699400 35.5578 -13.7083 1.94284 -13.7091 202.341 -157.716 1.94179 -157.716 -227.771 GPRESSURE: 1699400 109.5 -159.702 1.9378 -53.915 219.832 -148.356 82.6745 -130.925 -237.632 PRESSAVG: 1699400 -36.7593 -70.5042 -16.3585 -70.5042 41.3008 0.385893 -16.3585 0.385911 -1.65665 GPRESSAVG: 1699400 -34.971 -70.2025 -17.1079 -69.3664 40.0461 0.87838 -14.2373 -0.225933 -2.40012 TIMING: 1699400 CPU: 5410.79, 0.00318535/step Wall: 5410.79, 0.00318535/step, 2.92043 hours remaining, 240.699219 MB of memory in use. ENERGY: 1699400 3953.2618 20667.9589 14390.3587 242.8476 -203392.3769 2622.9082 0.0000 0.0000 52207.0523 -109307.9894 300.0346 -161515.0417 -108945.0923 299.6855 3.3760 30.5666 760388.8704 0.9616 0.8917 PRESSURE: 1699600 -182.459 -95.095 168.626 -95.0949 91.4617 -9.65807 168.626 -9.65732 -617.812 GPRESSURE: 1699600 -237.937 -138.625 136.318 -151.256 164.899 77.0926 166.164 -99.1301 -537.663 PRESSAVG: 1699600 -19.1147 16.8473 -1.76735 16.8473 75.0614 -8.71174 -1.7673 -8.71171 -21.6762 GPRESSAVG: 1699600 -20.5678 17.7212 -1.46941 13.9455 75.9807 -7.87015 -1.86449 -7.53873 -21.0899 TIMING: 1699600 CPU: 5411.43, 0.00319672/step Wall: 5411.43, 0.00319672/step, 2.93068 hours remaining, 240.699219 MB of memory in use. ENERGY: 1699600 3922.6608 20597.9339 14406.5961 228.9880 -203260.7892 2498.3075 0.0000 0.0000 52211.8936 -109394.4093 300.0625 -161606.3029 -109027.8074 299.5509 -236.2697 -203.5669 760003.5149 11.4235 11.4410 PRESSURE: 1699800 3.25711 6.77865 141.417 6.77934 238.544 170.918 141.417 170.917 -200.472 GPRESSURE: 1699800 96.3957 67.9285 44.0835 69.3777 237.574 134.667 92.0221 198.767 -186.859 PRESSAVG: 1699800 35.5797 -13.6167 5.26499 -13.6167 -26.5315 -48.3147 5.26493 -48.3147 -27.6028 GPRESSAVG: 1699800 35.5899 -13.9274 6.47268 -11.2398 -27.06 -49.2603 3.3875 -48.0168 -26.7286 TIMING: 1699800 CPU: 5412.08, 0.00321814/step Wall: 5412.08, 0.00321814/step, 2.95014 hours remaining, 240.699219 MB of memory in use. ENERGY: 1699800 3969.3627 20593.8177 14388.6078 253.1855 -203413.6962 2527.7486 0.0000 0.0000 52243.9113 -109437.0626 300.2465 -161680.9740 -109069.7903 299.7221 13.7765 49.0368 758843.8833 -6.1848 -6.0662 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700000 193.864 -137.885 -15.119 -137.886 256.053 3.1903 -15.1186 3.19066 187.669 GPRESSURE: 1700000 253.353 -248.6 -22.0427 -103.129 256.074 -11.3341 -22.6467 -12.2197 208.387 PRESSAVG: 1700000 -20.1639 -19.6449 9.84026 -19.6449 1.30256 37.7407 9.84027 37.7407 9.11184 GPRESSAVG: 1700000 -19.8083 -20.5033 9.3815 -19.6699 1.61158 36.7568 9.35555 36.6445 8.27212 TIMING: 1700000 CPU: 5414.36, 0.0114284/step Wall: 5414.36, 0.0114284/step, 10.4761 hours remaining, 240.824219 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: 1700000 4035.1588 20577.6748 14402.8405 260.5984 -203248.2144 2506.0544 0.0000 0.0000 51849.8036 -109616.0839 297.9815 -161465.8876 -109264.1825 299.2817 212.5284 239.2713 758645.3646 -3.2498 -3.3082 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 PRESSURE: 1700200 92.7377 88.3233 65.6068 88.3234 -75.1416 168.268 65.6068 168.269 -53.1957 GPRESSURE: 1700200 145.057 49.4062 90.9398 137.29 -122.631 107.466 -19.4139 94.9691 19.2146 PRESSAVG: 1700200 12.5146 -47.3438 3.07288 -47.3437 40.0099 8.28174 3.07298 8.28182 15.4279 GPRESSAVG: 1700200 13.2187 -46.8399 3.28165 -48.3484 39.4574 8.36547 3.03708 8.3026 15.2351 TIMING: 1700200 CPU: 5416.26, 0.00948869/step Wall: 5416.26, 0.00948869/step, 8.69744 hours remaining, 240.824219 MB of memory in use. ENERGY: 1700200 4028.4964 20404.7404 14373.3762 230.2280 -203257.5114 2521.7785 0.0000 0.0000 51986.5931 -109712.2988 298.7677 -161698.8919 -109345.6791 299.3969 -11.8665 13.8804 761505.4129 22.6508 22.6371 LDB: ============= START OF LOAD BALANCING ============== 5428.72 LDB: ============== END OF LOAD BALANCING =============== 5428.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5428.72 LDB: ============= START OF LOAD BALANCING ============== 5429.04 LDB: Largest compute 7059 load 0.039045 is 20.0% of average load 0.195165 LDB: Average compute 0.004404 is 2.3% of average load 0.195165 LDB: TIME 5429.05 LOAD: AVG 0.195165 MAX 0.213218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.566 MB LDB: TIME 5429.05 LOAD: AVG 0.195165 MAX 0.213218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.57 MB LDB: TIME 5429.05 LOAD: AVG 0.195165 MAX 0.213218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.57 MB LDB: ============== END OF LOAD BALANCING =============== 5429.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5429.05 PRESSURE: 1700400 378.802 92.9617 -94.7373 92.9614 116.234 -96.5196 -94.7372 -96.5191 -156.677 GPRESSURE: 1700400 375.527 82.1009 -137.752 16.1726 177.275 -85.0558 -34.2587 5.313 -133.981 PRESSAVG: 1700400 -45.8452 -14.5466 -14.0871 -14.5467 29.2689 -26.0967 -14.0871 -26.0968 -14.7212 GPRESSAVG: 1700400 -46.317 -16.4481 -14.2659 -13.754 28.7328 -23.4396 -11.2872 -27.3021 -14.3712 TIMING: 1700400 CPU: 5416.92, 0.00328739/step Wall: 5416.92, 0.0032874/step, 3.01308 hours remaining, 239.726562 MB of memory in use. ENERGY: 1700400 4042.1634 20467.3458 14420.6124 235.7800 -203863.8111 2818.1175 0.0000 0.0000 52082.1140 -109797.6779 299.3166 -161879.7919 -109440.9331 299.3544 112.7863 139.6072 760369.5509 -10.4325 -10.6518 PRESSURE: 1700600 264.646 -50.9627 -59.7461 -50.9634 -60.3969 315.46 -59.7465 315.459 168.257 GPRESSURE: 1700600 331.019 -20.7976 46.6609 -18.0501 0.509016 292.323 -151.402 208.888 159.924 PRESSAVG: 1700600 49.0645 -97.5921 25.9328 -97.5921 -45.9957 65.9435 25.9328 65.9435 2.5795 GPRESSAVG: 1700600 47.8676 -93.9605 27.6341 -97.6068 -43.7953 64.8693 26.1115 66.1365 1.89559 TIMING: 1700600 CPU: 5417.55, 0.00318797/step Wall: 5417.55, 0.00318797/step, 2.92178 hours remaining, 239.726562 MB of memory in use. ENERGY: 1700600 4076.6923 20282.7025 14386.7667 257.5345 -203718.4714 2676.7492 0.0000 0.0000 52301.0322 -109736.9940 300.5748 -162038.0262 -109373.5125 299.0995 124.1686 163.8173 760009.8499 1.8827 1.9893 PRESSURE: 1700800 -229.931 22.6395 46.7178 22.6397 -587.409 -8.55198 46.7166 -8.55257 47.1549 GPRESSURE: 1700800 -268.439 13.8208 59.6501 140.127 -478.735 -4.82266 36.7856 93.1249 52.2103 PRESSAVG: 1700800 8.56825 -36.9224 53.355 -36.9224 -5.23589 14.634 53.3549 14.634 6.25695 GPRESSAVG: 1700800 9.26906 -38.9289 51.4286 -37.1634 -7.3354 14.2301 52.0606 16.5565 6.67866 TIMING: 1700800 CPU: 5418.2, 0.00321127/step Wall: 5418.2, 0.00321127/step, 2.94295 hours remaining, 239.726562 MB of memory in use. ENERGY: 1700800 4045.6452 20517.4331 14399.3418 240.0914 -203424.8087 2362.3927 0.0000 0.0000 52039.5718 -109820.3327 299.0721 -161859.9045 -109460.5938 299.3261 -256.7284 -231.6546 761766.5393 3.1964 2.8708 PRESSURE: 1701000 90.8569 -75.4679 145.779 -75.4684 188.553 -103.911 145.78 -103.911 170.289 GPRESSURE: 1701000 69.3871 39.6024 178.108 40.6077 186.939 -147.137 241.994 -169.277 260.652 PRESSAVG: 1701000 -0.0385287 9.92746 50.9859 9.9275 38.3143 -14.6859 50.9859 -14.686 14.7788 GPRESSAVG: 1701000 -1.5634 10.1046 51.4216 10.238 39.0144 -14.5435 50.7847 -16.363 14.9934 TIMING: 1701000 CPU: 5418.84, 0.00319334/step Wall: 5418.84, 0.00319334/step, 2.92635 hours remaining, 239.726562 MB of memory in use. ENERGY: 1701000 4016.2340 20719.2088 14500.2664 255.5120 -203448.5776 2334.1108 0.0000 0.0000 52082.2185 -109541.0270 299.3172 -161623.2456 -109172.8668 299.0419 149.8997 172.3260 760562.9188 17.6848 17.4815 PRESSURE: 1701200 -17.676 -189.867 142.71 -189.868 -2.26457 96.6053 142.711 96.6051 -113.607 GPRESSURE: 1701200 -11.7754 -175.521 130.706 -91.4917 -30.4057 97.9076 -21.8976 11.0272 -3.05945 PRESSAVG: 1701200 -12.232 -91.2941 36.0672 -91.2942 -17.3173 10.7102 36.0672 10.7102 4.3912 GPRESSAVG: 1701200 -10.1096 -91.1887 36.1922 -92.2602 -18.0858 11.2903 34.7935 11.2888 3.54929 TIMING: 1701200 CPU: 5419.47, 0.00317891/step Wall: 5419.47, 0.00317891/step, 2.91294 hours remaining, 239.726562 MB of memory in use. ENERGY: 1701200 4004.3225 20497.6395 14437.0366 226.2812 -203429.3272 2606.2188 0.0000 0.0000 52071.7850 -109586.0435 299.2573 -161657.8286 -109223.5552 299.5825 -44.5159 -15.0802 761019.6280 -8.3861 -8.2154 PRESSURE: 1701400 -203.75 4.53383 60.8263 4.53432 -21.7702 -79.7894 60.8266 -79.7903 336.054 GPRESSURE: 1701400 -112.146 -2.92672 61.1666 132.253 -6.91283 7.74738 11.2873 -104.726 308.047 PRESSAVG: 1701400 -58.8717 -107.292 28.531 -107.292 37.7579 -64.5084 28.531 -64.5083 -1.23349 GPRESSAVG: 1701400 -59.7385 -105.767 28.4867 -106.527 38.1692 -64.0728 28.3239 -66.8044 -1.04308 TIMING: 1701400 CPU: 5420.11, 0.0031925/step Wall: 5420.11, 0.0031925/step, 2.92522 hours remaining, 239.726562 MB of memory in use. ENERGY: 1701400 3957.3085 20787.1712 14438.4484 255.6671 -204165.3631 2911.3567 0.0000 0.0000 51876.6388 -109938.7724 298.1358 -161815.4112 -109587.4468 299.2634 36.8448 62.9960 759602.9529 -7.4491 -7.5375 PRESSURE: 1701600 316.971 -114.92 -113.164 -114.92 240.991 35.7473 -113.162 35.7481 350.058 GPRESSURE: 1701600 391.684 -75.0598 -68.5539 -121.969 364.89 20.1222 -117.646 52.8464 238.292 PRESSAVG: 1701600 33.145 22.0159 17.227 22.016 9.34351 8.69702 17.227 8.69704 2.94146 GPRESSAVG: 1701600 32.6388 20.2183 17.2132 21.289 9.76342 7.93657 16.6324 10.7389 2.35664 TIMING: 1701600 CPU: 5420.75, 0.00319921/step Wall: 5420.75, 0.00319921/step, 2.93119 hours remaining, 239.726562 MB of memory in use. ENERGY: 1701600 3950.4555 20424.4476 14434.8160 230.7084 -203426.0250 2393.7056 0.0000 0.0000 52044.8422 -109947.0497 299.1024 -161991.8919 -109569.1546 298.8020 302.6732 331.6220 759529.7714 15.1433 14.9196 PRESSURE: 1701800 19.0075 -8.35144 -27.2615 -8.3504 -203.902 -25.6635 -27.2616 -25.6632 73.3549 GPRESSURE: 1701800 -62.1147 -11.0251 -38.614 -8.35835 -80.1083 15.5644 10.6418 52.9024 122.422 PRESSAVG: 1701800 33.9087 -41.1531 4.39596 -41.153 -6.68172 5.21272 4.39595 5.21281 4.59382 GPRESSAVG: 1701800 34.1799 -41.745 3.94102 -40.3776 -6.92691 5.41074 5.36598 5.48219 4.89542 TIMING: 1701800 CPU: 5421.39, 0.00322028/step Wall: 5421.39, 0.00322028/step, 2.95031 hours remaining, 239.726562 MB of memory in use. ENERGY: 1701800 3927.5463 20652.5785 14474.7704 237.0246 -203797.7693 2759.2666 0.0000 0.0000 51677.7047 -110068.8782 296.9925 -161746.5830 -109720.0821 298.2794 -37.1799 -6.6003 760334.6643 10.6069 10.7161 PRESSURE: 1702000 -69.9684 -46.3271 19.7098 -46.3264 352.071 -42.8054 19.7098 -42.8053 -1.21622 GPRESSURE: 1702000 -31.9906 -137.935 -52.044 3.30319 343.519 33.7726 118.744 51.2173 53.8584 PRESSAVG: 1702000 29.0473 -52.2683 62.7832 -52.2683 -23.248 7.76207 62.7831 7.76207 -6.77859 GPRESSAVG: 1702000 29.1029 -50.4481 63.4457 -52.2264 -23.3044 9.10874 63.1229 8.32525 -7.19843 TIMING: 1702000 CPU: 5422.04, 0.00321663/step Wall: 5422.04, 0.00321663/step, 2.94679 hours remaining, 239.726562 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: 1702000 4069.7952 20395.3355 14366.5633 234.4174 -203777.8971 2651.1848 0.0000 0.0000 51951.7229 -110108.8780 298.5673 -162060.6009 -109744.0555 297.9247 93.6289 121.7958 760300.7612 -0.3264 -0.4666 PRESSURE: 1702200 -359.561 -272.973 93.2267 -272.972 208.815 78.7761 93.2266 78.7766 -224.22 GPRESSURE: 1702200 -258.647 -206.993 45.9316 -216.963 193.103 76.6878 81.0852 0.381317 -211.648 PRESSAVG: 1702200 3.95568 -44.2608 43.122 -44.2608 -22.1308 -19.617 43.122 -19.6171 30.4311 GPRESSAVG: 1702200 4.66405 -44.3149 40.995 -42.7806 -23.5434 -21.6746 43.8791 -20.6248 31.0407 TIMING: 1702200 CPU: 5422.68, 0.00322745/step Wall: 5422.68, 0.00322745/step, 2.95652 hours remaining, 239.726562 MB of memory in use. ENERGY: 1702200 4017.5072 20421.7608 14364.0334 244.9930 -203328.5344 2529.6736 0.0000 0.0000 51821.6519 -109928.9146 297.8197 -161750.5664 -109567.8630 298.0555 -124.9887 -92.3973 759788.1405 4.0853 4.0538 PRESSURE: 1702400 203.695 231.565 -149.952 231.565 -141.093 -13.4616 -149.951 -13.4621 203.928 GPRESSURE: 1702400 244.803 240.443 -210.362 226.698 -98.2428 12.7797 -25.9746 94.9901 194.058 PRESSAVG: 1702400 -18.1213 -23.8509 -8.08274 -23.8509 0.912203 -1.78937 -8.0828 -1.78943 -2.48312 GPRESSAVG: 1702400 -18.0563 -24.7623 -6.2197 -24.288 2.35663 -1.00918 -10.4058 -1.86602 -3.48086 TIMING: 1702400 CPU: 5423.32, 0.00319415/step Wall: 5423.32, 0.00319416/step, 2.92585 hours remaining, 239.726562 MB of memory in use. ENERGY: 1702400 4018.7848 20415.5637 14312.2146 269.1253 -203238.0036 2543.9821 0.0000 0.0000 51802.4502 -109875.8830 297.7094 -161678.3332 -109515.7298 298.5300 88.8434 113.5395 760548.3787 -6.5641 -6.3935 PRESSURE: 1702600 45.8998 57.5949 -71.7434 57.5949 -47.1164 -2.42094 -71.7438 -2.42064 62.3604 GPRESSURE: 1702600 52.1621 -5.0944 -15.9538 -33.2992 -49.3025 -30.1013 -226.376 -132.878 151.377 PRESSAVG: 1702600 72.0846 -22.528 5.84771 -22.5279 -39.2006 -27.7052 5.84778 -27.7051 5.40847 GPRESSAVG: 1702600 72.559 -21.2366 3.82911 -23.7644 -40.7354 -28.0135 6.37567 -26.9326 5.97611 TIMING: 1702600 CPU: 5423.96, 0.00318792/step Wall: 5423.96, 0.00318792/step, 2.91996 hours remaining, 239.726562 MB of memory in use. ENERGY: 1702600 3991.6635 20383.0142 14527.9857 227.6727 -203744.0675 2773.4380 0.0000 0.0000 51878.4804 -109961.8129 298.1463 -161840.2933 -109594.4981 298.6935 20.3813 51.4123 760003.9253 12.7642 12.5999 PRESSURE: 1702800 50.1527 -20.7504 136.663 -20.749 -77.9651 74.566 136.663 74.5654 199.798 GPRESSURE: 1702800 42.6935 -110.382 183.869 -82.9802 -14.0043 99.7461 130.201 142.804 216.713 PRESSAVG: 1702800 47.638 -6.85663 -27.1512 -6.85653 -43.5367 33.7126 -27.1512 33.7125 -9.21731 GPRESSAVG: 1702800 45.7767 -7.18675 -25.4227 -6.73389 -42.9904 34.2257 -28.7728 32.4722 -8.42156 TIMING: 1702800 CPU: 5424.6, 0.00318442/step Wall: 5424.6, 0.00318442/step, 2.91657 hours remaining, 239.726562 MB of memory in use. ENERGY: 1702800 3924.6908 20441.4388 14427.0738 235.3018 -203453.9080 2505.0452 0.0000 0.0000 51938.8742 -109981.4834 298.4934 -161920.3576 -109629.9117 298.4996 57.3286 81.8006 761764.4054 -1.7053 -1.8784 PRESSURE: 1703000 -1.52719 -153.671 -154.583 -153.67 207.282 97.0569 -154.583 97.056 -180.225 GPRESSURE: 1703000 48.991 -181.465 -148.322 -183.501 156.584 49.612 -56.6849 44.6201 -91.03 PRESSAVG: 1703000 25.9747 -8.07101 -13.7811 -8.07101 2.29023 2.40271 -13.7811 2.40264 12.7166 GPRESSAVG: 1703000 26.4324 -8.40182 -13.6254 -9.77166 2.92474 1.97683 -11.8312 1.85693 11.6956 TIMING: 1703000 CPU: 5425.24, 0.00320621/step Wall: 5425.24, 0.00320621/step, 2.93635 hours remaining, 239.726562 MB of memory in use. ENERGY: 1703000 4039.5848 20555.0299 14385.3293 246.1391 -203579.8290 2651.1260 0.0000 0.0000 51796.8122 -109905.8078 297.6770 -161702.6200 -109547.9091 298.3558 8.5098 38.1816 759872.6527 13.6605 13.6843 PRESSURE: 1703200 -90.067 3.669 384.428 3.66891 -34.5439 -213.021 384.427 -213.021 -53.8992 GPRESSURE: 1703200 -91.0729 116.302 302.871 -30.0323 -31.7795 -187.27 314.22 -142.106 31.8629 PRESSAVG: 1703200 16.2813 3.25494 -17.5238 3.25497 -1.2136 -6.5694 -17.5239 -6.56937 13.6513 GPRESSAVG: 1703200 15.3043 5.19014 -18.2729 4.2449 -0.829637 -6.93476 -17.9908 -5.38643 14.0372 TIMING: 1703200 CPU: 5425.87, 0.00316864/step Wall: 5425.87, 0.00316865/step, 2.90177 hours remaining, 239.726562 MB of memory in use. ENERGY: 1703200 3963.4215 20278.3106 14445.1079 239.8369 -203672.4588 2691.6999 0.0000 0.0000 52078.7005 -109975.3814 299.2970 -162054.0819 -109607.1571 298.4921 -59.5034 -30.3299 760425.3424 9.5730 9.5039 PRESSURE: 1703400 237.136 237.923 37.9356 237.923 -56.691 88.8324 37.9347 88.8331 54.1755 GPRESSURE: 1703400 300.697 108.565 46.0419 234.635 -43.4513 -5.40542 40.7512 103.144 62.2204 PRESSAVG: 1703400 19.4292 5.85916 37.1968 5.85916 0.594591 -19.7065 37.1968 -19.7066 17.894 GPRESSAVG: 1703400 18.9572 5.84559 39.0942 5.09165 2.00462 -19.7729 35.7659 -21.2268 17.7407 TIMING: 1703400 CPU: 5426.51, 0.00319372/step Wall: 5426.51, 0.00319372/step, 2.92456 hours remaining, 239.726562 MB of memory in use. ENERGY: 1703400 3987.4032 20491.7115 14410.7835 229.0460 -203597.2020 2561.8388 0.0000 0.0000 52025.4264 -109890.9925 298.9908 -161916.4189 -109534.9419 298.3676 78.2069 106.4886 759361.9845 12.6393 12.9008 PRESSURE: 1703600 72.2637 -78.2777 -128.253 -78.2772 223.201 86.0863 -128.254 86.0862 35.1443 GPRESSURE: 1703600 43.4107 -144.549 -207.877 -80.1002 326.37 66.0201 -43.1897 81.3627 46.5068 PRESSAVG: 1703600 -54.275 -19.4645 19.9175 -19.4646 53.624 15.2089 19.9175 15.2089 -3.88988 GPRESSAVG: 1703600 -53.5583 -20.8148 20.3356 -19.531 52.6992 15.4334 21.4379 16.1681 -3.34495 TIMING: 1703600 CPU: 5427.15, 0.00321084/step Wall: 5427.15, 0.00321084/step, 2.94006 hours remaining, 239.726562 MB of memory in use. ENERGY: 1703600 3963.6311 20629.6141 14503.1487 260.2337 -203478.4408 2499.0144 0.0000 0.0000 51851.2051 -109771.5936 297.9896 -161622.7987 -109399.2503 298.8831 110.2031 138.7624 760771.6103 -1.5136 -1.4014 PRESSURE: 1703800 -132.736 -230.798 130.151 -230.797 -69.3074 -0.834787 130.151 -0.835427 53.385 GPRESSURE: 1703800 27.4785 -131.186 174.202 -212.242 -84.2683 -76.513 149.958 -6.18845 -9.24797 PRESSAVG: 1703800 6.93821 25.7233 30.6122 25.7234 -2.86661 -45.4921 30.6122 -45.4921 -18.9437 GPRESSAVG: 1703800 9.11198 23.4067 30.4855 26.0853 -5.03809 -44.6579 30.2321 -46.0238 -18.7959 TIMING: 1703800 CPU: 5427.79, 0.0032075/step Wall: 5427.79, 0.0032075/step, 2.93682 hours remaining, 239.726562 MB of memory in use. ENERGY: 1703800 3962.5004 20379.8364 14513.4074 240.1464 -203753.3647 2878.1367 0.0000 0.0000 52271.7535 -109507.5840 300.4065 -161779.3374 -109149.6534 299.1492 -49.5529 -22.0126 760685.6622 -4.9574 -4.9073 PRESSURE: 1704000 -135.182 -263.756 -10.4233 -263.756 -246.652 117.952 -10.4232 117.952 -14.1454 GPRESSURE: 1704000 -70.8881 -140.895 -103.812 -226.367 -227.751 155.523 -12.6249 34.0625 2.21186 PRESSAVG: 1704000 -25.1067 -87.0074 37.886 -87.0075 -0.650731 -22.6332 37.8861 -22.6331 23.9554 GPRESSAVG: 1704000 -27.4195 -85.0216 35.2766 -85.8009 1.37506 -24.2265 38.4374 -22.786 24.3827 TIMING: 1704000 CPU: 5428.43, 0.00318636/step Wall: 5428.43, 0.00318636/step, 2.91729 hours remaining, 239.726562 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: 1704000 4010.1107 20617.1002 14382.3377 261.8667 -202886.0764 2189.1461 0.0000 0.0000 51879.3196 -109546.1955 298.1512 -161425.5151 -109198.3711 299.1434 -131.9932 -98.8092 760266.1583 -0.6007 -0.5539 PRESSURE: 1704200 -11.8953 56.7118 -181.087 56.7114 -47.303 -258.34 -181.088 -258.34 -180.513 GPRESSURE: 1704200 15.5383 77.0627 -249.986 -59.0915 -35.5163 -315.648 -128.634 -191.337 -142.029 PRESSAVG: 1704200 -2.74666 -55.9301 -5.00705 -55.9302 0.122123 8.40578 -5.00714 8.40572 23.8487 GPRESSAVG: 1704200 -2.60039 -56.257 -4.69191 -55.7094 -0.151516 7.88788 -3.13423 9.43696 23.485 TIMING: 1704200 CPU: 5429.07, 0.00318258/step Wall: 5429.07, 0.00318258/step, 2.91365 hours remaining, 239.726562 MB of memory in use. ENERGY: 1704200 3984.7181 20464.3310 14384.2042 257.0765 -202990.4639 2291.9981 0.0000 0.0000 52117.2071 -109490.9288 299.5183 -161608.1359 -109123.9398 299.4022 -79.9037 -54.0022 760343.0588 7.0747 6.9110 LDB: ============= START OF LOAD BALANCING ============== 5441.52 LDB: ============== END OF LOAD BALANCING =============== 5441.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5441.52 LDB: ============= START OF LOAD BALANCING ============== 5441.84 LDB: Largest compute 7060 load 0.038840 is 19.9% of average load 0.195164 LDB: Average compute 0.004406 is 2.3% of average load 0.195164 LDB: TIME 5441.85 LOAD: AVG 0.195164 MAX 0.21371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 5441.85 LOAD: AVG 0.195164 MAX 0.21371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 5441.85 LOAD: AVG 0.195164 MAX 0.21371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 5441.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5441.85 PRESSURE: 1704400 404.771 102.547 73.5152 102.547 112.383 41.1401 73.5149 41.14 371.025 GPRESSURE: 1704400 385.463 121.66 103.93 133.447 200.961 31.0129 -1.7059 -94.3631 389.427 PRESSAVG: 1704400 28.6179 -30.101 -76.1394 -30.101 -21.1823 10.9679 -76.1394 10.968 11.114 GPRESSAVG: 1704400 29.0276 -28.3285 -73.5942 -30.0579 -22.1769 11.9077 -79.2115 9.95155 11.1737 TIMING: 1704400 CPU: 5429.72, 0.00325281/step Wall: 5429.72, 0.00325281/step, 2.97776 hours remaining, 240.570312 MB of memory in use. ENERGY: 1704400 3929.1147 20690.9308 14426.1250 243.4473 -203226.0732 2612.8732 0.0000 0.0000 51969.0611 -109354.5211 298.6669 -161323.5822 -109005.2984 299.1337 296.0595 325.2837 760278.3127 6.1832 6.0081 PRESSURE: 1704600 -141.064 -261.777 -42.3728 -261.778 15.3773 175.875 -42.3729 175.875 341.421 GPRESSURE: 1704600 -59.3693 -295.17 -34.2963 -128.183 45.7522 156.213 -50.424 220.956 308.729 PRESSAVG: 1704600 41.914 -21.985 -57.7408 -21.9849 -4.93671 51.235 -57.7407 51.235 0.329581 GPRESSAVG: 1704600 40.9746 -24.6053 -58.8495 -21.5638 -3.69455 50.5446 -56.9601 52.5468 0.48028 TIMING: 1704600 CPU: 5430.35, 0.00316548/step Wall: 5430.35, 0.00316548/step, 2.89764 hours remaining, 240.773438 MB of memory in use. ENERGY: 1704600 3997.8967 20501.7337 14412.4628 233.6594 -203275.8645 2662.2327 0.0000 0.0000 51904.3993 -109563.4800 298.2953 -161467.8792 -109208.2561 300.0264 71.9113 98.3707 759596.1532 12.4356 12.5868 PRESSURE: 1704800 -328.474 -128.426 -137.873 -128.425 226.17 -45.4467 -137.874 -45.4473 159.512 GPRESSURE: 1704800 -156.794 -87.4165 -47.473 -146.02 89.5364 -97.7516 -7.09768 -27.2567 210.216 PRESSAVG: 1704800 18.9536 -52.1719 -23.6141 -52.1719 -57.0722 32.4355 -23.6141 32.4354 8.8473 GPRESSAVG: 1704800 21.0848 -51.0004 -24.7119 -53.3164 -57.1347 31.7316 -22.5569 32.4168 7.07097 TIMING: 1704800 CPU: 5430.99, 0.00317824/step Wall: 5430.99, 0.00317824/step, 2.90915 hours remaining, 240.773438 MB of memory in use. ENERGY: 1704800 4058.8150 20502.0204 14434.2827 252.4489 -203439.6707 2572.1506 0.0000 0.0000 52193.2728 -109426.6802 299.9555 -161619.9530 -109057.6572 299.0004 19.0692 47.6528 761224.9874 -9.7571 -9.6596 PRESSURE: 1705000 94.0953 -96.8395 43.7459 -96.8397 154.498 151.275 43.7461 151.274 325.559 GPRESSURE: 1705000 165.359 -192.398 142.499 -151.507 256.617 206.047 10.6704 69.9418 241.236 PRESSAVG: 1705000 -1.38939 -69.1435 -24.3008 -69.1434 -5.9433 -16.0108 -24.3009 -16.0109 -7.46222 GPRESSAVG: 1705000 -1.79658 -69.5001 -22.7063 -65.8878 -6.25929 -14.6403 -24.0701 -17.6252 -7.11532 TIMING: 1705000 CPU: 5431.62, 0.00314456/step Wall: 5431.62, 0.00314456/step, 2.87815 hours remaining, 240.773438 MB of memory in use. ENERGY: 1705000 3926.7692 20595.5832 14409.0991 256.4964 -203590.1371 2859.0384 0.0000 0.0000 52363.6159 -109179.5349 300.9344 -161543.1508 -108820.0242 299.7147 191.3839 221.0707 760330.0048 -4.9316 -5.0571 PRESSURE: 1705200 32.0572 167.758 -135.691 167.759 72.3247 241.199 -135.69 241.199 84.9002 GPRESSURE: 1705200 55.4228 174.678 -4.4536 28.8688 95.6027 262.823 -127.182 164.556 121.035 PRESSAVG: 1705200 3.43337 -60.5261 -35.0804 -60.5261 9.06234 55.5535 -35.0804 55.5534 -8.96059 GPRESSAVG: 1705200 2.77582 -60.4727 -36.4935 -64.1758 8.73001 54.9214 -35.2733 57.9287 -8.26029 TIMING: 1705200 CPU: 5432.25, 0.00315626/step Wall: 5432.25, 0.00315626/step, 2.88868 hours remaining, 240.773438 MB of memory in use. ENERGY: 1705200 4024.0306 20534.9464 14476.5316 244.9506 -203232.6347 2687.8371 0.0000 0.0000 52114.6850 -109149.6534 299.5038 -161264.3384 -108792.4839 299.7541 63.0940 90.6869 760213.4170 1.1784 1.0818 PRESSURE: 1705400 303.469 -63.0993 -180.27 -63.099 -1.20711 -42.8218 -180.27 -42.8215 198.371 GPRESSURE: 1705400 347.136 -100.148 -159.839 80.5932 60.1801 65.547 -252.876 -109.226 167.242 PRESSAVG: 1705400 -20.2274 -39.1512 -2.60129 -39.1512 -14.6971 -58.5688 -2.60126 -58.5688 2.73513 GPRESSAVG: 1705400 -20.1911 -42.0369 -2.22965 -35.8084 -14.3105 -57.3861 -4.36245 -58.9303 2.60292 TIMING: 1705400 CPU: 5432.88, 0.00317413/step Wall: 5432.88, 0.00317413/step, 2.90486 hours remaining, 240.773438 MB of memory in use. ENERGY: 1705400 3947.5094 20636.9352 14394.2495 254.3272 -203572.5374 2760.8095 0.0000 0.0000 52249.3089 -109329.3976 300.2775 -161578.7065 -108976.9962 299.5291 166.8775 191.5195 760232.1601 -10.7298 -10.6329 PRESSURE: 1705600 722.009 5.0729 161.284 5.07362 144.949 -28.828 161.284 -28.8281 39.9218 GPRESSURE: 1705600 576.996 79.2716 63.0799 59.767 242.581 -56.3388 258.714 7.52497 166.82 PRESSAVG: 1705600 63.7721 -59.6237 -44.9467 -59.6237 -67.2659 -44.0886 -44.9467 -44.0886 4.03399 GPRESSAVG: 1705600 63.0484 -56.7849 -45.0121 -60.5718 -67.0797 -44.7647 -43.6255 -44.4342 4.64373 TIMING: 1705600 CPU: 5433.52, 0.00317417/step Wall: 5433.52, 0.00317417/step, 2.90472 hours remaining, 240.773438 MB of memory in use. ENERGY: 1705600 4023.7656 20559.5311 14358.1201 232.2676 -203223.2950 2596.1277 0.0000 0.0000 51870.7090 -109582.7739 298.1017 -161453.4829 -109237.9462 299.1176 302.2933 328.7989 760038.4624 0.1801 0.2041 PRESSURE: 1705800 276.921 -227.565 -113.799 -227.565 -361.446 31.8117 -113.798 31.8124 -113.577 GPRESSURE: 1705800 249.522 -206.902 -138.492 -207.237 -243.822 11.4844 49.8793 74.847 -122.364 PRESSAVG: 1705800 104.506 -51.0426 0.093989 -51.0426 -99.1004 1.62301 0.0940361 1.62302 -20.6415 GPRESSAVG: 1705800 105.512 -51.6834 -0.46269 -50.0723 -98.1918 1.22745 0.877538 2.65625 -22.4012 TIMING: 1705800 CPU: 5434.15, 0.00317516/step Wall: 5434.15, 0.00317516/step, 2.90545 hours remaining, 240.773438 MB of memory in use. ENERGY: 1705800 3968.6311 20444.6397 14387.8529 259.4912 -203261.5161 2489.8476 0.0000 0.0000 52054.2798 -109656.7738 299.1567 -161711.0536 -109281.1852 298.8926 -66.0340 -38.8882 761812.5911 -5.0787 -5.0270 PRESSURE: 1706000 463.336 -44.4667 16.8423 -44.4674 673.319 29.6839 16.8426 29.6839 189.406 GPRESSURE: 1706000 494.547 -28.5267 2.85742 -99.3449 671.617 84.7328 -32.606 -58.5308 253.882 PRESSAVG: 1706000 55.3091 -69.5806 -31.2209 -69.5807 -20.7529 19.8096 -31.2209 19.8096 -3.09983 GPRESSAVG: 1706000 56.399 -70.2922 -31.2091 -72.7675 -22.6384 19.3783 -33.9622 18.1385 -2.25422 TIMING: 1706000 CPU: 5434.78, 0.00316471/step Wall: 5434.78, 0.00316471/step, 2.89571 hours remaining, 240.773438 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: 1706000 3924.0209 20322.0904 14430.5723 256.0601 -203162.6869 2711.7804 0.0000 0.0000 51797.4963 -109720.6664 297.6809 -161518.1628 -109362.1404 298.6285 442.0202 473.3489 761376.4149 10.4855 10.5021 PRESSURE: 1706200 77.0473 -26.6321 45.619 -26.6313 -4.42268 213.878 45.6193 213.878 190.98 GPRESSURE: 1706200 74.6011 -38.1285 -58.4768 112.952 128.248 226.868 153.407 180.873 153.339 PRESSAVG: 1706200 17.0015 -46.8612 -36.0684 -46.8613 -58.1559 56.5417 -36.0684 56.5417 -11.8795 GPRESSAVG: 1706200 15.8906 -48.3726 -34.1601 -45.8638 -56.4367 56.5717 -37.0547 57.2959 -12.3322 TIMING: 1706200 CPU: 5435.42, 0.00319678/step Wall: 5435.42, 0.00319678/step, 2.92488 hours remaining, 240.773438 MB of memory in use. ENERGY: 1706200 3938.4139 20413.3787 14410.4428 256.9838 -203737.5757 2938.4620 0.0000 0.0000 51941.0961 -109838.7984 298.5062 -161779.8945 -109474.1807 298.5752 87.8684 118.7295 761165.2130 -17.6779 -17.6261 PRESSURE: 1706400 66.6908 -193.561 -7.69329 -193.562 -63.522 44.8104 -7.69284 44.8096 -253.817 GPRESSURE: 1706400 131.434 -317.678 30.7174 -272.838 -63.0707 57.8213 82.4739 143.888 -242.492 PRESSAVG: 1706400 39.6039 -60.7922 -51.0775 -60.7922 -39.3342 -9.1373 -51.0775 -9.13729 15.4716 GPRESSAVG: 1706400 38.9974 -58.596 -51.5745 -60.0995 -39.8543 -8.63504 -50.3273 -9.47424 16.3337 TIMING: 1706400 CPU: 5436.06, 0.00317312/step Wall: 5436.06, 0.00317312/step, 2.90305 hours remaining, 240.773438 MB of memory in use. ENERGY: 1706400 3937.0461 20443.0106 14442.3960 251.0111 -203676.6882 2872.1439 0.0000 0.0000 52097.6300 -109633.4504 299.4058 -161731.0804 -109274.0616 298.6068 -83.5493 -58.0427 760103.9379 5.2471 5.1589 PRESSURE: 1706600 -619.728 -71.2916 -234.83 -71.2921 -352.223 -239.5 -234.829 -239.501 -98.4234 GPRESSURE: 1706600 -560.092 -201.111 -252.681 -48.8685 -377.227 -226.265 -229.975 -180.915 -62.6567 PRESSAVG: 1706600 -26.2926 -19.2676 -28.9372 -19.2675 47.0283 4.7888 -28.9373 4.78885 -5.24294 GPRESSAVG: 1706600 -26.1389 -20.8154 -29.285 -20.618 46.8777 5.69987 -28.3169 3.88033 -5.82299 TIMING: 1706600 CPU: 5436.7, 0.00319079/step Wall: 5436.7, 0.00319079/step, 2.91904 hours remaining, 240.773438 MB of memory in use. ENERGY: 1706600 3985.2636 20470.6642 14443.1239 250.7419 -203135.9473 2249.5244 0.0000 0.0000 52144.9246 -109591.7047 299.6776 -161736.6293 -109223.7534 299.1199 -356.7917 -333.3251 761898.8346 5.1643 4.9719 PRESSURE: 1706800 289.768 -71.2406 67.2536 -71.2408 434.309 -126.002 67.2539 -126.002 -44.8839 GPRESSURE: 1706800 273.873 -89.3271 84.6622 -102.337 382.599 20.3158 -111.742 -139.563 109.816 PRESSAVG: 1706800 26.0853 -29.0678 -55.3163 -29.0678 -11.4636 -24.3378 -55.3163 -24.3378 -17.8207 GPRESSAVG: 1706800 26.7607 -29.6758 -55.9159 -28.8303 -11.8412 -24.3008 -57.1337 -25.5337 -17.5986 TIMING: 1706800 CPU: 5437.34, 0.00319256/step Wall: 5437.34, 0.00319256/step, 2.92049 hours remaining, 240.773438 MB of memory in use. ENERGY: 1706800 3943.4247 20605.4223 14447.5732 255.2424 -203970.2753 3021.4713 0.0000 0.0000 52197.0738 -109500.0675 299.9773 -161697.1413 -109138.7808 299.4334 226.3979 255.4295 759009.7151 -1.0663 -0.8930 PRESSURE: 1707000 -101.238 79.3417 -315.91 79.3418 10.8683 5.74286 -315.911 5.74287 443.744 GPRESSURE: 1707000 -16.4733 23.3468 -220.68 154.771 55.609 84.6702 -178.849 -46.5953 406.571 PRESSAVG: 1707000 54.981 2.50774 -45.114 2.50768 -52.1227 0.313482 -45.114 0.313523 -4.89534 GPRESSAVG: 1707000 54.3238 3.46814 -45.6228 4.72156 -52.2352 -0.0898812 -41.9977 3.5272 -4.07893 TIMING: 1707000 CPU: 5437.97, 0.00319842/step Wall: 5437.97, 0.00319842/step, 2.92566 hours remaining, 240.773438 MB of memory in use. ENERGY: 1707000 3952.8296 20742.9518 14386.7487 262.5671 -203212.8786 2445.0406 0.0000 0.0000 52009.0818 -109413.6589 298.8969 -161422.7407 -109064.4951 299.2260 117.7915 148.5688 760020.7643 -0.6790 -0.6634 PRESSURE: 1707200 -106.921 126.906 -40.8725 126.906 78.0904 -55.7117 -40.8719 -55.7106 -211.094 GPRESSURE: 1707200 64.9948 -6.35269 -68.2102 103.69 -24.1933 -103.162 -45.0297 -19.6703 -167.337 PRESSAVG: 1707200 149.073 -19.2167 -69.5935 -19.2166 -107.833 26.6804 -69.5935 26.6805 -28.2768 GPRESSAVG: 1707200 149.889 -17.819 -67.9099 -20.3461 -107.981 25.5341 -71.6485 26.9973 -28.9706 TIMING: 1707200 CPU: 5438.61, 0.00318428/step Wall: 5438.61, 0.00318428/step, 2.91255 hours remaining, 240.773438 MB of memory in use. ENERGY: 1707200 3980.4031 20613.2585 14430.2627 243.7065 -203649.7296 2878.1892 0.0000 0.0000 52095.6032 -109408.3062 299.3941 -161503.9094 -109037.3674 299.7976 -79.9749 -42.1785 761823.5809 4.3211 4.3123 PRESSURE: 1707400 399.621 -250.325 71.9092 -250.326 75.9925 22.043 71.9098 22.0435 26.5747 GPRESSURE: 1707400 419.519 -88.3209 -31.9944 -429.013 163.082 32.8768 71.6431 -77.5165 -0.896488 PRESSAVG: 1707400 -5.86169 -77.0557 -41.2417 -77.0558 -6.62112 1.61093 -41.2417 1.61087 5.13875 GPRESSAVG: 1707400 -6.76554 -76.6925 -41.6784 -77.1293 -5.88658 1.93547 -39.3096 0.377299 4.93403 TIMING: 1707400 CPU: 5439.24, 0.00316682/step Wall: 5439.24, 0.00316682/step, 2.89641 hours remaining, 240.773438 MB of memory in use. ENERGY: 1707400 3953.9355 20808.3855 14429.0773 251.4120 -203932.1590 2828.1231 0.0000 0.0000 52331.3181 -109329.9075 300.7488 -161661.2256 -108971.8669 299.8180 167.3962 193.9015 760818.6322 -2.4480 -2.5727 PRESSURE: 1707600 -398.257 -218.568 219.474 -218.568 30.3007 -94.5447 219.474 -94.5459 226.873 GPRESSURE: 1707600 -414.195 -107.046 227.426 -200.894 73.9007 -98.4664 122.269 -85.4864 273.11 PRESSAVG: 1707600 -13.999 -60.4205 1.26617 -60.4205 20.9203 -32.7362 1.26615 -32.7362 11.1639 GPRESSAVG: 1707600 -13.6226 -61.7171 1.40649 -60.3007 20.9065 -32.9727 -1.24055 -32.6282 10.8997 TIMING: 1707600 CPU: 5439.88, 0.00319838/step Wall: 5439.88, 0.00319838/step, 2.92509 hours remaining, 240.773438 MB of memory in use. ENERGY: 1707600 4013.0653 20549.0466 14530.0529 245.0693 -203632.5482 2554.1357 0.0000 0.0000 52259.5416 -109481.6368 300.3363 -161741.1784 -109129.4845 300.1479 -47.0279 -22.3947 758763.0534 6.0284 6.0612 PRESSURE: 1707800 467.832 -120.863 -99.8344 -120.863 -27.0837 -209.835 -99.8343 -209.835 -353.52 GPRESSURE: 1707800 383.072 -214.83 -54.7604 -95.0998 49.6174 -190.336 21.9586 -70.6357 -280.035 PRESSAVG: 1707800 16.1566 -19.0531 -63.3745 -19.0531 -36.1428 35.2116 -63.3745 35.2116 -23.4303 GPRESSAVG: 1707800 15.9169 -19.7823 -62.2206 -19.2027 -35.8545 34.9699 -62.281 34.8271 -22.5567 TIMING: 1707800 CPU: 5440.52, 0.00318551/step Wall: 5440.52, 0.00318551/step, 2.91315 hours remaining, 240.773438 MB of memory in use. ENERGY: 1707800 4080.1797 20585.8568 14456.2610 231.4568 -203994.8797 2824.0258 0.0000 0.0000 52098.5359 -109718.5637 299.4110 -161817.0996 -109353.6774 299.7630 29.0763 50.8846 758445.8480 -14.4722 -14.1648 PRESSURE: 1708000 -25.973 -130.756 -57.8493 -130.756 -39.4433 -116.474 -57.8496 -116.475 233.006 GPRESSURE: 1708000 112.963 -134.031 -129.088 -159.069 -22.7811 -73.184 116.77 -132.262 175.036 PRESSAVG: 1708000 33.5129 -24.8367 16.1204 -24.8367 -25.7868 -35.8274 16.1204 -35.8274 25.2071 GPRESSAVG: 1708000 33.9289 -25.3765 14.3025 -23.4678 -25.734 -35.2787 17.424 -35.0514 25.0729 TIMING: 1708000 CPU: 5441.16, 0.00318408/step Wall: 5441.16, 0.00318408/step, 2.91167 hours remaining, 240.773438 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: 1708000 3979.3790 20521.8810 14457.9177 222.3273 -203354.7313 2521.0905 0.0000 0.0000 52061.6274 -109590.5085 299.1989 -161652.1358 -109222.6003 298.9135 55.8632 88.4059 760154.1403 10.9777 11.0893 PRESSURE: 1708200 -396.385 117.395 324.304 117.396 -101.623 197.909 324.303 197.908 -241.686 GPRESSURE: 1708200 -310.56 169.937 281.463 43.3406 -112.766 166.443 181.787 146.372 -249.952 PRESSAVG: 1708200 67.6461 -43.3492 2.10429 -43.3492 -53.1217 -9.49479 2.10428 -9.49475 -16.5603 GPRESSAVG: 1708200 68.1015 -41.6849 2.35003 -44.5111 -54.538 -8.03142 1.58422 -10.5092 -15.2879 TIMING: 1708200 CPU: 5441.8, 0.0031933/step Wall: 5441.8, 0.0031933/step, 2.91992 hours remaining, 240.773438 MB of memory in use. ENERGY: 1708200 3971.2645 20481.3993 14431.4496 248.2083 -203430.3746 2566.4340 0.0000 0.0000 52189.3112 -109542.3078 299.9327 -161731.6190 -109168.5102 298.7025 -246.5645 -224.4261 762364.1753 -0.6786 -0.5748 LDB: ============= START OF LOAD BALANCING ============== 5454.25 LDB: ============== END OF LOAD BALANCING =============== 5454.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5454.26 LDB: ============= START OF LOAD BALANCING ============== 5454.57 LDB: Largest compute 7060 load 0.036784 is 18.9% of average load 0.195040 LDB: Average compute 0.004433 is 2.3% of average load 0.195040 LDB: TIME 5454.58 LOAD: AVG 0.19504 MAX 0.213052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.258 MB LDB: TIME 5454.58 LOAD: AVG 0.19504 MAX 0.213052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.258 MB LDB: TIME 5454.58 LOAD: AVG 0.19504 MAX 0.213052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.258 MB LDB: ============== END OF LOAD BALANCING =============== 5454.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5454.58 PRESSURE: 1708400 -20.8022 -207.953 231.859 -207.954 -66.9203 23.2708 231.859 23.2706 -24.9949 GPRESSURE: 1708400 -35.805 -111.651 160.702 -85.5748 -92.4247 -33.5348 157.614 97.8361 68.5585 PRESSAVG: 1708400 54.6708 -48.4197 25.1151 -48.4198 -46.2908 -77.6068 25.1152 -77.6068 -6.77985 GPRESSAVG: 1708400 54.8142 -49.1165 24.7261 -47.3998 -46.1224 -78.586 22.6376 -77.0177 -7.07199 TIMING: 1708400 CPU: 5442.45, 0.0032584/step Wall: 5442.45, 0.0032584/step, 2.97926 hours remaining, 241.078125 MB of memory in use. ENERGY: 1708400 4050.5555 20676.2219 14495.1150 237.6791 -203486.2227 2433.1322 0.0000 0.0000 52067.3248 -109526.1942 299.2316 -161593.5190 -109164.5318 299.4132 -37.5725 -19.8904 761114.7458 0.5334 0.5399 PRESSURE: 1708600 -87.096 -0.76584 -248.175 -0.765608 50.7991 -190.371 -248.176 -190.371 -78.8894 GPRESSURE: 1708600 -83.9268 -20.2393 -126.938 27.2193 102.244 -139.669 -224.93 -24.7485 -54.6403 PRESSAVG: 1708600 15.1367 -33.5913 -29.1706 -33.5912 -46.1998 -69.4528 -29.1707 -69.4528 -12.4051 GPRESSAVG: 1708600 14.8557 -34.9393 -27.645 -33.4277 -45.6646 -71.5011 -27.4797 -69.2562 -12.7654 TIMING: 1708600 CPU: 5443.08, 0.00317103/step Wall: 5443.08, 0.00317103/step, 2.8992 hours remaining, 241.078125 MB of memory in use. ENERGY: 1708600 3954.5814 20731.2294 14492.4726 248.6201 -203430.0115 2642.5195 0.0000 0.0000 51865.7160 -109494.8726 298.0730 -161360.5885 -109129.1587 298.8524 -38.3954 -12.1077 758787.4033 -14.4894 -14.5247 PRESSURE: 1708800 -319.027 -47.1645 140.507 -47.1637 -157.136 40.1469 140.507 40.1472 111.614 GPRESSURE: 1708800 -192.987 -47.6224 100.717 -32.8084 -146.978 32.1998 99.7755 103.756 53.0397 PRESSAVG: 1708800 39.6088 -42.4785 30.272 -42.4786 -21.9394 -11.8519 30.272 -11.8519 6.56866 GPRESSAVG: 1708800 39.5951 -40.3589 31.3623 -42.1367 -21.3104 -9.99034 30.3854 -12.4203 5.79986 TIMING: 1708800 CPU: 5443.71, 0.003151/step Wall: 5443.71, 0.003151/step, 2.88072 hours remaining, 241.078125 MB of memory in use. ENERGY: 1708800 4093.5648 20575.4833 14518.5087 233.8680 -203115.8668 2305.3348 0.0000 0.0000 51914.4047 -109474.7024 298.3528 -161389.1071 -109115.4960 299.2736 -121.5163 -95.6418 760709.2792 8.0793 8.0282 PRESSURE: 1709000 -313.445 -31.9103 164.495 -31.9108 -188.671 -6.41064 164.495 -6.40982 -562.28 GPRESSURE: 1709000 -285.16 -59.2397 188.43 -45.1612 -152.057 79.5538 52.5452 -52.6148 -536.313 PRESSAVG: 1709000 12.8376 -28.1168 68.1771 -28.1167 3.42579 2.14536 68.177 2.1454 -8.01106 GPRESSAVG: 1709000 12.8985 -26.0656 65.1067 -28.8556 3.3674 3.16858 67.5143 1.68837 -7.17163 TIMING: 1709000 CPU: 5444.35, 0.00317509/step Wall: 5444.35, 0.00317509/step, 2.90256 hours remaining, 241.078125 MB of memory in use. ENERGY: 1709000 3980.9440 20335.2821 14439.3816 253.3473 -202703.3061 2099.1529 0.0000 0.0000 52031.9085 -109563.2896 299.0281 -161595.1981 -109205.5507 299.1692 -354.7989 -324.5098 758810.2388 2.7508 3.0314 PRESSURE: 1709200 7.05934 -453.756 -151.106 -453.757 -99.1966 34.8997 -151.107 34.8998 113.855 GPRESSURE: 1709200 -45.7965 -359.234 -232.509 -387.11 42.668 58.6003 -173.901 -72.1572 102.684 PRESSAVG: 1709200 -33.596 -25.8097 -4.15665 -25.8097 27.2116 -7.37999 -4.1567 -7.38002 -0.0189265 GPRESSAVG: 1709200 -34.2322 -27.8126 -3.44667 -28.0232 27.7013 -7.87813 -2.47008 -7.23206 0.320218 TIMING: 1709200 CPU: 5444.98, 0.00316878/step Wall: 5444.98, 0.00316878/step, 2.89661 hours remaining, 241.078125 MB of memory in use. ENERGY: 1709200 4021.4803 20358.6600 14445.3168 225.7566 -203381.3547 2641.9483 0.0000 0.0000 52071.8625 -109616.3301 299.2577 -161688.1926 -109264.1965 299.1249 7.2392 33.1853 760747.8595 -2.1345 -2.0702 PRESSURE: 1709400 -200.181 -89.6802 131.21 -89.68 5.55117 -75.8355 131.21 -75.8371 -285.314 GPRESSURE: 1709400 -173.084 -11.3194 75.3325 -181.253 14.574 -55.6313 11.2313 -101.338 -239.814 PRESSAVG: 1709400 -14.861 -0.504847 -17.2644 -0.504831 0.0138307 -0.319889 -17.2644 -0.319886 0.456915 GPRESSAVG: 1709400 -14.5983 -0.145991 -17.5631 2.11908 -0.137327 -0.701532 -18.1394 -0.239704 0.483508 TIMING: 1709400 CPU: 5445.62, 0.00317653/step Wall: 5445.62, 0.00317653/step, 2.90353 hours remaining, 241.078125 MB of memory in use. ENERGY: 1709400 4096.8860 20490.9810 14427.7253 235.2526 -203223.6672 2451.8709 0.0000 0.0000 51990.9388 -109530.0127 298.7926 -161520.9515 -109167.7469 299.2782 -159.9813 -132.7748 760404.9497 -4.7968 -4.7507 PRESSURE: 1709600 -97.0143 16.0181 -158.221 16.0192 70.9504 55.4838 -158.221 55.4845 524.642 GPRESSURE: 1709600 -58.6513 29.0093 -148.378 -0.301842 164.497 -6.74559 -148.103 212.149 486.858 PRESSAVG: 1709600 27.1762 -36.6593 26.9435 -36.6593 -36.6076 48.1227 26.9434 48.1228 -6.46997 GPRESSAVG: 1709600 26.1638 -37.502 26.27 -38.4562 -36.1306 45.8631 26.9734 48.9618 -5.9514 TIMING: 1709600 CPU: 5446.25, 0.00316146/step Wall: 5446.25, 0.00316145/step, 2.88957 hours remaining, 241.078125 MB of memory in use. ENERGY: 1709600 3978.2741 20500.5403 14464.7446 240.7370 -203708.5378 2583.6231 0.0000 0.0000 52205.2737 -109735.3449 300.0244 -161940.6187 -109382.7225 299.1401 166.1928 197.5680 758497.6546 -5.3005 -5.3061 PRESSURE: 1709800 95.0964 -149.884 127.289 -149.884 -119.674 -77.1087 127.289 -77.1085 -98.149 GPRESSURE: 1709800 36.0373 -244.598 120.496 -114.826 21.9672 -54.023 55.9375 -161.328 -98.7273 PRESSAVG: 1709800 22.1554 -51.3148 25.8263 -51.3148 2.91345 34.9516 25.8263 34.9517 23.3511 GPRESSAVG: 1709800 23.7228 -50.8288 25.2993 -52.2383 2.26771 36.8941 25.7544 36.2791 22.695 TIMING: 1709800 CPU: 5446.88, 0.00315557/step Wall: 5446.88, 0.00315557/step, 2.88402 hours remaining, 241.078125 MB of memory in use. ENERGY: 1709800 3962.3475 20536.9382 14481.1415 241.6220 -203641.7753 2545.6335 0.0000 0.0000 52146.1480 -109727.9447 299.6846 -161874.0926 -109373.3616 299.1323 -40.9089 -13.5743 758559.5570 16.1400 16.2285 PRESSURE: 1710000 37.0897 -212.342 202.881 -212.343 -235.965 247.646 202.881 247.645 163.704 GPRESSURE: 1710000 71.4834 -219.24 257.17 -138.245 -182.573 332.054 145.135 125.707 170.943 PRESSAVG: 1710000 21.7042 -54.7974 -21.4916 -54.7974 -30.473 27.6041 -21.4916 27.6041 5.12964 GPRESSAVG: 1710000 21.1613 -55.7731 -20.3842 -53.6201 -29.5781 28.538 -22.2 23.0159 5.16106 TIMING: 1710000 CPU: 5447.51, 0.00316445/step Wall: 5447.51, 0.00316445/step, 2.89196 hours remaining, 241.078125 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: 1710000 3934.4588 20699.0610 14431.0206 258.9943 -203355.8310 2380.3634 0.0000 0.0000 51971.9539 -109679.9791 298.6835 -161651.9330 -109322.5974 299.6224 -11.7239 19.9509 759629.8755 -1.2130 -1.0852 PRESSURE: 1710200 -164.519 23.8308 -35.6517 23.8308 43.0611 -214.556 -35.6525 -214.556 -63.0464 GPRESSURE: 1710200 -80.2041 -0.801537 -117.712 36.9175 -13.3319 -125.812 -15.2935 -132.288 -6.1028 PRESSAVG: 1710200 54.2513 2.06293 32.0484 2.06295 -41.7303 4.85744 32.0484 4.85745 6.65863 GPRESSAVG: 1710200 55.2563 3.43332 33.196 3.13874 -43.6869 6.27239 31.8918 7.59176 6.91567 TIMING: 1710200 CPU: 5448.15, 0.00316836/step Wall: 5448.15, 0.00316836/step, 2.89535 hours remaining, 241.078125 MB of memory in use. ENERGY: 1710200 4040.3464 20430.6259 14487.5830 250.3079 -203537.2759 2562.8803 0.0000 0.0000 52128.6158 -109636.9166 299.5839 -161765.5324 -109274.8666 299.3155 -61.5016 -33.2129 759146.3988 6.3932 6.1617 PRESSURE: 1710400 -18.0647 -52.9154 135.93 -52.9156 358.318 -83.859 135.93 -83.8587 542.919 GPRESSURE: 1710400 88.6638 -88.8769 158.286 -9.68473 381.973 -63.329 143.011 -90.0354 508.812 PRESSAVG: 1710400 19.7795 -17.3355 18.1063 -17.3355 7.24633 -2.61091 18.1063 -2.61093 2.26915 GPRESSAVG: 1710400 19.2324 -19.1028 16.6914 -19.1415 7.92517 -2.59757 18.782 -3.21511 2.20246 TIMING: 1710400 CPU: 5448.78, 0.00316797/step Wall: 5448.78, 0.00316797/step, 2.89482 hours remaining, 241.078125 MB of memory in use. ENERGY: 1710400 4035.9238 20416.3854 14437.0381 260.3768 -203811.0193 2704.7629 0.0000 0.0000 52090.7617 -109865.7705 299.3663 -161956.5322 -109505.3868 299.2171 294.3907 326.4828 758349.3782 9.7650 9.7867 PRESSURE: 1710600 -122.659 227.128 -60.1273 227.127 -29.5262 123.767 -60.1275 123.767 72.75 GPRESSURE: 1710600 -124.44 128.178 -94.875 169.856 12.6591 154.485 -42.2655 114.581 112.505 PRESSAVG: 1710600 5.01294 4.90168 -18.9601 4.90162 -20.8207 -2.13284 -18.9601 -2.13285 -3.37367 GPRESSAVG: 1710600 5.32405 5.93649 -19.2992 4.91664 -19.3778 -4.34515 -19.6007 -1.87915 -4.16162 TIMING: 1710600 CPU: 5449.41, 0.00315433/step Wall: 5449.41, 0.00315433/step, 2.88218 hours remaining, 241.078125 MB of memory in use. ENERGY: 1710600 3986.5441 20401.4026 14457.0602 239.1374 -203469.6746 2361.0911 0.0000 0.0000 52210.4707 -109813.9685 300.0543 -162024.4391 -109457.1600 298.9254 -26.4783 0.2415 758878.2960 -6.3938 -6.0718 PRESSURE: 1710800 -283.889 -94.3278 -110.393 -94.3283 -259.178 -138.759 -110.392 -138.76 -61.2865 GPRESSURE: 1710800 -193.072 -53.5459 -29.844 -125.382 -278.356 -164.563 -194.431 -119.741 -53.6099 PRESSAVG: 1710800 -31.8935 -40.654 -18.2758 -40.654 15.4923 -18.7371 -18.2759 -18.7371 25.7618 GPRESSAVG: 1710800 -31.4878 -41.681 -16.255 -41.1446 15.0519 -18.0962 -16.9866 -17.1605 25.6367 TIMING: 1710800 CPU: 5450.05, 0.00319015/step Wall: 5450.05, 0.00319015/step, 2.91474 hours remaining, 241.078125 MB of memory in use. ENERGY: 1710800 4063.7460 20426.4168 14460.8190 236.0460 -203534.6649 2353.5151 0.0000 0.0000 52208.7662 -109785.3558 300.0445 -161994.1220 -109412.0890 298.7784 -201.4514 -175.0124 757909.7777 3.1202 3.0669 PRESSURE: 1711000 -208.459 -288.295 -66.7984 -288.295 144.84 113.463 -66.798 113.463 -293.836 GPRESSURE: 1711000 -75.8943 -349.289 -64.1527 -223.71 87.8108 74.6752 -110.695 16.2501 -297.773 PRESSAVG: 1711000 5.03088 -65.943 -42.2886 -65.943 14.4283 38.2566 -42.2886 38.2566 -4.76784 GPRESSAVG: 1711000 6.24676 -65.0641 -44.5325 -64.1339 13.5464 38.2501 -45.3516 37.8646 -5.40873 TIMING: 1711000 CPU: 5450.69, 0.00319758/step Wall: 5450.69, 0.00319758/step, 2.92135 hours remaining, 241.078125 MB of memory in use. ENERGY: 1711000 3947.5764 20670.0099 14386.5558 241.9993 -203281.6607 2419.1104 0.0000 0.0000 51731.9163 -109884.4926 297.3040 -161616.4089 -109520.3257 299.0308 -119.1519 -95.2854 760477.0938 4.8971 4.7948 PRESSURE: 1711200 202.698 -231.612 127.762 -231.612 22.3795 44.5406 127.763 44.542 23.3019 GPRESSURE: 1711200 104.619 -266.919 80.3953 -242.336 140.075 39.6945 249.585 51.324 84.1468 PRESSAVG: 1711200 -78.2443 -83.6508 -6.11913 -83.651 47.8847 7.78595 -6.11913 7.78595 -7.87104 GPRESSAVG: 1711200 -80.3177 -82.6143 -4.80279 -86.3122 47.907 7.24626 -4.86757 6.35952 -6.13002 TIMING: 1711200 CPU: 5451.32, 0.00317162/step Wall: 5451.32, 0.00317162/step, 2.89745 hours remaining, 241.078125 MB of memory in use. ENERGY: 1711200 3997.5269 20494.4991 14464.3711 250.6064 -203928.6193 2770.3097 0.0000 0.0000 51822.6184 -110128.6877 297.8253 -161951.3061 -109762.8869 298.4131 82.7931 109.6137 758402.8218 -12.7436 -12.8469 PRESSURE: 1711400 188.711 53.7605 41.61 53.7599 -171.462 -91.8673 41.6095 -91.8671 -114.442 GPRESSURE: 1711400 115.131 56.0513 -75.3911 14.4161 -90.1955 -104.15 41.7314 -131.455 -37.6027 PRESSAVG: 1711400 -41.048 -36.5656 17.7458 -36.5656 -0.0699927 -2.26017 17.7458 -2.26014 6.16623 GPRESSAVG: 1711400 -40.1382 -33.2972 17.6387 -35.4302 0.136383 -1.32691 19.7492 -2.06892 4.87412 TIMING: 1711400 CPU: 5451.96, 0.00316775/step Wall: 5451.96, 0.00316775/step, 2.89374 hours remaining, 241.078125 MB of memory in use. ENERGY: 1711400 3970.1056 20476.8837 14496.6276 255.1938 -203648.6741 2483.3829 0.0000 0.0000 52013.5822 -109952.8982 298.9228 -161966.4804 -109588.6839 298.3690 -32.3976 -4.2225 760283.3540 -11.6506 -11.7092 PRESSURE: 1711600 133.356 -157.55 97.577 -157.549 70.4333 170.455 97.5759 170.455 -83.8157 GPRESSURE: 1711600 210.842 -164.485 163.848 -108.991 15.6855 169.08 238.637 147.68 -11.8088 PRESSAVG: 1711600 66.0568 22.213 6.57781 22.2129 -30.1441 -9.22527 6.57783 -9.22522 -22.2811 GPRESSAVG: 1711600 66.4932 19.8403 5.81904 23.5387 -31.0435 -9.94357 4.75246 -8.72047 -22.1034 TIMING: 1711600 CPU: 5452.59, 0.00317473/step Wall: 5452.59, 0.00317473/step, 2.89994 hours remaining, 241.078125 MB of memory in use. ENERGY: 1711600 4028.7397 20499.9862 14480.3894 277.7767 -203698.2550 2667.4404 0.0000 0.0000 51966.1117 -109777.8110 298.6500 -161743.9227 -109422.8724 298.9663 39.9913 71.5730 758477.2403 4.5439 4.4488 PRESSURE: 1711800 30.6032 -102.301 53.2131 -102.3 -22.7329 -84.3642 53.2135 -84.3627 -190.618 GPRESSURE: 1711800 -76.5747 -75.6272 55.752 -60.4101 110.701 -261.622 70.5415 -51.5669 -130.147 PRESSAVG: 1711800 83.1173 -53.8015 -31.7822 -53.8016 -33.1373 38.6099 -31.7822 38.61 13.1038 GPRESSAVG: 1711800 82.0613 -56.8504 -31.5601 -53.1723 -31.431 37.8903 -30.2904 39.0419 12.7883 TIMING: 1711800 CPU: 5453.23, 0.00317637/step Wall: 5453.23, 0.00317637/step, 2.90126 hours remaining, 241.078125 MB of memory in use. ENERGY: 1711800 3897.6463 20611.9627 14465.7844 246.5794 -203355.2027 2196.1400 0.0000 0.0000 51980.0006 -109957.0893 298.7298 -161937.0899 -109597.2053 299.1034 -60.9158 -32.0066 759650.4081 21.0279 21.1396 PRESSURE: 1712000 65.3012 -72.9044 -126.878 -72.9033 -91.0685 196.393 -126.877 196.394 15.6056 GPRESSURE: 1712000 151.308 41.4022 -80.4414 1.20517 -45.9584 187.341 -176.034 113.321 -49.6153 PRESSAVG: 1712000 17.624 -17.3035 -25.4934 -17.3036 -7.36935 5.38929 -25.4933 5.38936 12.6808 GPRESSAVG: 1712000 18.0896 -15.7313 -24.3859 -17.0311 -9.02368 5.49029 -28.9463 5.59321 13.7733 TIMING: 1712000 CPU: 5453.86, 0.00316114/step Wall: 5453.86, 0.00316114/step, 2.88718 hours remaining, 241.078125 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: 1712000 4047.7731 20570.0367 14439.1528 238.9798 -203847.4907 2591.3591 0.0000 0.0000 51942.8774 -110017.3117 298.5164 -161960.1891 -109651.9378 298.3253 -3.3873 18.5782 758698.4589 7.6452 7.6131 PRESSURE: 1712200 165.829 -39.7993 -2.82491 -39.7999 -333.016 -93.8533 -2.82473 -93.8543 134.97 GPRESSURE: 1712200 155.326 19.1256 -16.3371 45.5014 -265.046 -179.951 -105.792 -103.312 156.529 PRESSAVG: 1712200 52.776 -16.1199 -56.2543 -16.1199 -44.775 -14.4149 -56.2542 -14.4149 -2.54145 GPRESSAVG: 1712200 52.4676 -15.5955 -56.774 -17.1446 -45.2208 -12.9187 -55.0941 -14.9066 -2.08043 TIMING: 1712200 CPU: 5454.5, 0.00317871/step Wall: 5454.5, 0.00317871/step, 2.90304 hours remaining, 241.078125 MB of memory in use. ENERGY: 1712200 3943.9260 20470.9343 14433.6645 237.3245 -203881.1388 2618.1600 0.0000 0.0000 52110.8363 -110066.2932 299.4817 -162177.1295 -109710.9471 298.4856 -10.7392 15.6033 758939.8509 1.8198 1.7221 LDB: ============= START OF LOAD BALANCING ============== 5466.95 LDB: ============== END OF LOAD BALANCING =============== 5466.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5466.95 LDB: ============= START OF LOAD BALANCING ============== 5467.27 LDB: Largest compute 7060 load 0.037401 is 19.2% of average load 0.195118 LDB: Average compute 0.004408 is 2.3% of average load 0.195118 LDB: TIME 5467.28 LOAD: AVG 0.195118 MAX 0.211984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.137 MB LDB: TIME 5467.28 LOAD: AVG 0.195118 MAX 0.211984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.137 MB LDB: TIME 5467.28 LOAD: AVG 0.195118 MAX 0.211984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.137 MB LDB: ============== END OF LOAD BALANCING =============== 5467.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5467.28 PRESSURE: 1712400 -238.418 -361.245 7.23759 -361.245 -128.036 -105.009 7.23739 -105.01 -178.359 GPRESSURE: 1712400 -216.458 -346.706 50.8084 -230.536 -34.6351 -70.6842 145.079 -121.317 -196.405 PRESSAVG: 1712400 -10.9899 -30.7129 16.4484 -30.713 -19.5426 5.67018 16.4484 5.67023 -18.098 GPRESSAVG: 1712400 -11.7272 -29.6519 17.4402 -31.4975 -17.7195 4.44631 17.1084 5.33072 -18.5566 TIMING: 1712400 CPU: 5455.15, 0.00326878/step Wall: 5455.15, 0.00326878/step, 2.98512 hours remaining, 240.308594 MB of memory in use. ENERGY: 1712400 3919.1864 20473.4497 14427.3303 255.2222 -203529.1718 2654.8453 0.0000 0.0000 51847.5370 -109951.6008 297.9685 -161799.1378 -109593.2044 298.6149 -181.6044 -149.1658 759808.5674 -16.2101 -16.0011 PRESSURE: 1712600 -75.5826 212.159 -47.1816 212.159 363.204 71.9476 -47.1823 71.9467 -401.145 GPRESSURE: 1712600 -1.77195 153.78 -91.0071 124.305 322.927 -14.3188 -175.407 -23.4903 -357.809 PRESSAVG: 1712600 50.9047 -4.88077 -48.7478 -4.88081 -60.0342 -1.00769 -48.7478 -1.00766 -9.17651 GPRESSAVG: 1712600 52.3764 -8.20838 -50.6382 -4.30784 -61.929 -0.754652 -49.3757 -2.32441 -8.58133 TIMING: 1712600 CPU: 5455.79, 0.00319275/step Wall: 5455.79, 0.00319275/step, 2.91551 hours remaining, 240.308594 MB of memory in use. ENERGY: 1712600 3929.5346 20442.1139 14471.2499 245.8738 -203712.3506 2743.8974 0.0000 0.0000 51982.9713 -109896.7097 298.7469 -161879.6809 -109535.2188 298.1245 -37.8413 -12.2182 760103.7759 -6.1020 -6.0446 PRESSURE: 1712800 590.522 -14.9902 1.63811 -14.9893 226.993 -145.669 1.63876 -145.669 406.297 GPRESSURE: 1712800 639.853 -44.7839 -59.1727 -44.9538 290.708 -63.634 61.7067 -232.051 371.32 PRESSAVG: 1712800 33.2035 -13.7379 -22.5032 -13.7378 -61.0133 -14.6019 -22.5032 -14.6019 -7.13872 GPRESSAVG: 1712800 32.4664 -13.2607 -23.0435 -11.618 -60.4289 -13.6042 -20.7312 -13.6904 -7.5033 TIMING: 1712800 CPU: 5456.43, 0.00320024/step Wall: 5456.43, 0.00320024/step, 2.92218 hours remaining, 240.308594 MB of memory in use. ENERGY: 1712800 4022.4511 20443.7023 14455.6042 235.9404 -204064.3223 2892.0744 0.0000 0.0000 51925.5686 -110088.9812 298.4170 -162014.5498 -109732.8648 297.9980 407.9373 433.9604 756939.7565 -11.6495 -11.8220 PRESSURE: 1713000 -1.8215 -298.505 6.13574 -298.505 -180.521 -251.74 6.13552 -251.739 259.418 GPRESSURE: 1713000 40.0263 -192.154 -133.369 -167.505 -67.7066 -307.147 -87.6376 -61.1792 190.298 PRESSAVG: 1713000 76.3817 10.7296 11.3683 10.7296 -81.5477 -1.37307 11.3683 -1.37317 1.25712 GPRESSAVG: 1713000 76.3429 10.5933 12.5306 11.0359 -80.4882 -2.69594 11.6404 -0.893329 0.147094 TIMING: 1713000 CPU: 5457.06, 0.00317601/step Wall: 5457.06, 0.00317601/step, 2.89988 hours remaining, 240.308594 MB of memory in use. ENERGY: 1713000 3879.3794 20436.3450 14420.0004 233.4283 -203284.8034 2386.8360 0.0000 0.0000 51860.5145 -110068.2999 298.0431 -161928.8143 -109697.0271 297.7427 25.6919 54.2059 760149.1416 -1.3030 -1.3327 PRESSURE: 1713200 -193.904 78.8383 -193.122 78.8388 -101.096 -189.102 -193.121 -189.101 -200.675 GPRESSURE: 1713200 -101.579 59.9634 -147.335 39.3916 -166.86 -156.766 -106.531 -213.959 -150.79 PRESSAVG: 1713200 84.6695 17.927 -34.176 17.927 -52.0929 -13.9062 -34.176 -13.9063 -14.5075 GPRESSAVG: 1713200 84.8747 19.9426 -35.9421 16.1376 -53.9232 -13.9743 -34.3882 -12.182 -12.9718 TIMING: 1713200 CPU: 5457.7, 0.00316862/step Wall: 5457.7, 0.00316862/step, 2.89295 hours remaining, 240.308594 MB of memory in use. ENERGY: 1713200 3899.3575 20374.2282 14478.9311 259.3092 -203511.5902 2541.3177 0.0000 0.0000 51984.8714 -109973.5750 298.7578 -161958.4465 -109607.0308 297.9734 -165.2249 -139.7432 759635.4631 6.0230 5.9932 PRESSURE: 1713400 -91.1022 -185.316 -183.067 -185.316 -224.406 36.332 -183.068 36.3332 -298.471 GPRESSURE: 1713400 -56.7286 -123.143 -216.204 -104.071 -211.193 -34.8235 -178.746 101.19 -265.885 PRESSAVG: 1713400 50.6309 17.0223 -98.1544 17.0223 -67.5895 -18.3773 -98.1544 -18.3772 11.5594 GPRESSAVG: 1713400 49.1454 16.0041 -97.1346 17.9411 -66.4459 -17.0901 -99.0725 -19.2661 11.5123 TIMING: 1713400 CPU: 5458.33, 0.00316506/step Wall: 5458.33, 0.00316506/step, 2.88952 hours remaining, 240.308594 MB of memory in use. ENERGY: 1713400 4006.6766 20538.6307 14416.4026 242.3078 -203422.3525 2464.6913 0.0000 0.0000 51778.2358 -109975.4076 297.5702 -161753.6434 -109625.7234 298.3983 -204.6596 -177.9356 760311.0662 -1.7997 -1.9294 PRESSURE: 1713600 256.093 -74.3614 -165.129 -74.3602 81.6128 -91.334 -165.128 -91.3356 319.37 GPRESSURE: 1713600 328.776 -91.7602 -195.309 33.903 103.701 -50.6835 -177.5 -50.3347 325.825 PRESSAVG: 1713600 -45.4779 -8.20321 -73.6035 -8.20326 -32.946 2.37851 -73.6035 2.37853 -1.36498 GPRESSAVG: 1713600 -44.5489 -7.66641 -72.9338 -6.87048 -32.7418 1.52029 -74.6127 -0.207103 -2.66183 TIMING: 1713600 CPU: 5458.96, 0.00316153/step Wall: 5458.96, 0.00316153/step, 2.88613 hours remaining, 240.308594 MB of memory in use. ENERGY: 1713600 3974.9363 20367.9529 14468.3893 259.5425 -204180.3343 3007.5148 0.0000 0.0000 52173.7061 -109928.2925 299.8430 -162101.9986 -109572.2162 298.1883 219.0252 252.7674 757858.5632 -26.5963 -26.6509 PRESSURE: 1713800 -231.919 105.251 201.152 105.252 -393.086 -20.861 201.152 -20.8609 -489.927 GPRESSURE: 1713800 -256.388 98.6596 183.55 13.9245 -282.173 -1.69474 167.378 -9.64026 -486.375 PRESSAVG: 1713800 -38.0033 -64.8893 -23.0165 -64.8894 7.49222 -23.0294 -23.0165 -23.0294 -12.1777 GPRESSAVG: 1713800 -38.4773 -65.5719 -23.9956 -67.1933 7.47016 -21.1741 -22.6443 -23.0965 -11.3472 TIMING: 1713800 CPU: 5459.6, 0.00316703/step Wall: 5459.6, 0.00316703/step, 2.89097 hours remaining, 240.308594 MB of memory in use. ENERGY: 1713800 4025.3667 20399.3155 14440.5502 231.5532 -203299.7680 2664.4812 0.0000 0.0000 51927.0023 -109611.4990 298.4252 -161538.5012 -109253.4223 298.7606 -371.6441 -341.6454 760641.2730 -14.2296 -14.1181 PRESSURE: 1714000 147.987 -81.1502 -64.981 -81.1499 -50.8275 125.413 -64.9814 125.414 410.871 GPRESSURE: 1714000 144.074 -136.339 4.59348 -52.4011 23.7441 115.823 -117.291 41.5886 410.36 PRESSAVG: 1714000 69.7754 -29.2903 -30.3395 -29.2903 -46.7401 20.3314 -30.3395 20.3313 2.93517 GPRESSAVG: 1714000 69.979 -29.0379 -28.7568 -30.1793 -46.0288 18.0947 -30.2217 21.8368 2.2074 TIMING: 1714000 CPU: 5460.23, 0.0031526/step Wall: 5460.23, 0.0031526/step, 2.87762 hours remaining, 240.308594 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: 1714000 3924.5831 20423.3707 14446.9191 260.3056 -203236.7681 2701.6732 0.0000 0.0000 52090.9467 -109388.9697 299.3674 -161479.9164 -109023.7628 298.9949 169.3435 192.7262 761710.1626 8.6568 8.7192 PRESSURE: 1714200 484.5 12.0167 73.1606 12.0159 165.735 -130.155 73.1598 -130.156 179.739 GPRESSURE: 1714200 555.886 49.6889 -74.1481 81.2488 176.436 -153.631 43.0722 -54.4865 178.001 PRESSAVG: 1714200 56.0951 17.5132 -2.18412 17.5131 -54.5597 -6.22881 -2.18407 -6.22877 -9.60402 GPRESSAVG: 1714200 54.9355 17.44 -3.10752 17.6225 -53.5834 -5.86962 -1.83406 -7.35153 -9.29298 TIMING: 1714200 CPU: 5460.86, 0.00315647/step Wall: 5460.86, 0.00315647/step, 2.88098 hours remaining, 240.308594 MB of memory in use. ENERGY: 1714200 3992.1056 20237.9474 14485.9438 245.8633 -203529.1617 2768.8078 0.0000 0.0000 52333.1513 -109465.3425 300.7593 -161798.4938 -109089.0954 299.6334 276.6583 303.4411 760590.0013 -2.6895 -2.6469 PRESSURE: 1714400 -290.666 -99.7184 216.726 -99.7181 -678.357 -173.668 216.726 -173.667 -208.628 GPRESSURE: 1714400 -193.781 -139.817 203.092 -2.71541 -621.964 -101.312 157.475 -203.235 -274.18 PRESSAVG: 1714400 34.0385 0.682987 7.10483 0.68292 -23.7311 -21.6014 7.10489 -21.6014 -12.0554 GPRESSAVG: 1714400 36.1287 0.665188 8.51012 1.4342 -25.2461 -21.2566 5.67571 -20.7101 -12.5498 TIMING: 1714400 CPU: 5461.49, 0.00317353/step Wall: 5461.49, 0.00317353/step, 2.89637 hours remaining, 240.308594 MB of memory in use. ENERGY: 1714400 3953.5961 20435.1311 14459.8640 251.7582 -202849.1413 2126.9118 0.0000 0.0000 52142.2167 -109479.6634 299.6620 -161621.8802 -109104.7045 299.4070 -392.5504 -363.3081 760196.7606 -0.5827 -0.5557 PRESSURE: 1714600 44.4042 -124.356 57.662 -124.356 84.3083 -121.974 57.6619 -121.974 319.849 GPRESSURE: 1714600 161.042 -57.6454 57.3637 -230.413 113.017 -162.19 43.0456 -115.432 258.801 PRESSAVG: 1714600 -20.9332 -19.1152 -7.54623 -19.1151 20.7933 -43.2738 -7.54626 -43.2738 -1.62418 GPRESSAVG: 1714600 -21.7122 -18.7057 -10.0964 -21.8866 20.1559 -44.5487 -6.30653 -41.9368 -0.534276 TIMING: 1714600 CPU: 5462.13, 0.00317098/step Wall: 5462.13, 0.00317098/step, 2.89387 hours remaining, 240.308594 MB of memory in use. ENERGY: 1714600 3907.5594 20432.9753 14405.7072 234.7305 -203071.2197 2413.4263 0.0000 0.0000 52261.7823 -109415.0387 300.3492 -161676.8210 -109049.0529 299.3601 149.5204 177.6199 761116.0475 -0.5880 -0.6968 PRESSURE: 1714800 -229.241 -229.048 -212.389 -229.048 -62.0175 -244.272 -212.389 -244.271 -240.196 GPRESSURE: 1714800 -194.582 -181.515 -191.686 -347.635 -35.3853 -166.327 -274.942 -279.911 -226.758 PRESSAVG: 1714800 53.6552 -30.0911 -52.1509 -30.0911 -36.4651 -45.7751 -52.151 -45.775 5.42605 GPRESSAVG: 1714800 53.9165 -29.2068 -50.5166 -28.6578 -36.7955 -46.1122 -53.8071 -46.754 5.44823 TIMING: 1714800 CPU: 5462.76, 0.00318382/step Wall: 5462.76, 0.00318382/step, 2.90541 hours remaining, 240.308594 MB of memory in use. ENERGY: 1714800 4001.1070 20459.3282 14482.0165 247.8718 -202971.6047 2365.8256 0.0000 0.0000 52096.0125 -109319.4431 299.3965 -161415.4557 -108958.3694 299.7439 -177.1515 -152.2418 761778.3798 7.5387 7.5231 PRESSURE: 1715000 54.2873 -77.1247 -156.154 -77.1243 43.7317 -263.913 -156.155 -263.912 12.4026 GPRESSURE: 1715000 29.882 -156.368 -127.681 -110.094 152.452 -257.426 -203.308 -253.282 4.99221 PRESSAVG: 1715000 30.1924 -61.2182 -76.0746 -61.2182 2.96321 -36.3292 -76.0745 -36.3292 -4.63418 GPRESSAVG: 1715000 31.0501 -63.6482 -76.1238 -61.0068 3.62273 -34.6147 -76.0398 -35.8944 -5.49017 TIMING: 1715000 CPU: 5463.4, 0.0031839/step Wall: 5463.4, 0.0031839/step, 2.9053 hours remaining, 240.308594 MB of memory in use. ENERGY: 1715000 3955.3401 20448.0861 14498.1954 267.9529 -203059.3662 2609.3899 0.0000 0.0000 52135.1316 -109145.2702 299.6213 -161280.4018 -108780.7216 299.5428 36.8072 62.4421 759528.1089 9.5071 9.7276 PRESSURE: 1715200 160.256 -17.2472 93.2725 -17.2472 18.9777 -92.9473 93.2732 -92.9471 -126.007 GPRESSURE: 1715200 239.364 38.259 127.581 -4.58868 25.1631 -115.156 105.379 -48.892 -123.66 PRESSAVG: 1715200 -15.2905 -40.5966 39.2162 -40.5966 37.139 -32.1098 39.2161 -32.1097 22.5822 GPRESSAVG: 1715200 -15.4386 -38.2236 39.6857 -40.9545 35.7749 -33.0213 39.8913 -33.716 23.6369 TIMING: 1715200 CPU: 5464.04, 0.00319755/step Wall: 5464.04, 0.00319755/step, 2.91759 hours remaining, 240.308594 MB of memory in use. ENERGY: 1715200 3999.3406 20542.7937 14565.9884 259.4855 -203340.3473 2574.0610 0.0000 0.0000 52082.8402 -109315.8379 299.3208 -161398.6780 -108947.3410 299.7092 17.7423 46.9558 759885.5186 14.8102 14.6577 PRESSURE: 1715400 -40.7793 -17.8507 -3.21467 -17.8504 -151.723 -34.8014 -3.21481 -34.8011 -538.255 GPRESSURE: 1715400 4.98691 -109.847 -64.7831 -110.439 -140.726 -143.693 -109.05 55.0112 -497.783 PRESSAVG: 1715400 66.6976 -32.2854 -95.0271 -32.2853 -10.3227 14.5183 -95.0272 14.5183 -7.8772 GPRESSAVG: 1715400 65.736 -34.062 -97.0407 -31.3271 -9.51549 12.7578 -95.9175 15.0334 -7.44513 TIMING: 1715400 CPU: 5464.68, 0.00318561/step Wall: 5464.68, 0.00318561/step, 2.90651 hours remaining, 240.308594 MB of memory in use. ENERGY: 1715400 4010.3216 20497.4081 14441.2526 270.9883 -203615.1142 3005.6443 0.0000 0.0000 52122.2142 -109267.2851 299.5471 -161389.4993 -108902.4369 300.0770 -243.5858 -211.1740 761413.1210 16.1659 16.2585 PRESSURE: 1715600 290.951 24.4267 -244.492 24.4263 -228.41 -193.376 -244.491 -193.375 -245.835 GPRESSURE: 1715600 206.802 114.131 -94.9185 127.73 -125.376 -168.247 -313.392 -158.787 -215.599 PRESSAVG: 1715600 18.181 -11.6813 6.43634 -11.6813 -5.34122 26.6997 6.43634 26.6997 -4.97696 GPRESSAVG: 1715600 18.9722 -11.0618 8.23691 -12.1223 -4.67689 28.1458 6.24201 26.9195 -6.67807 TIMING: 1715600 CPU: 5465.32, 0.00320169/step Wall: 5465.32, 0.00320169/step, 2.92101 hours remaining, 240.308594 MB of memory in use. ENERGY: 1715600 3958.9697 20616.9616 14462.6963 242.5130 -203358.8843 2530.5908 0.0000 0.0000 52151.6084 -109395.5445 299.7160 -161547.1529 -109033.8634 299.6221 -61.0981 -44.7244 761535.0661 2.6209 2.5391 PRESSURE: 1715800 105.814 75.3794 85.1801 75.3792 176.179 75.197 85.1799 75.1978 498.272 GPRESSURE: 1715800 144.542 106.268 90.468 107.752 201.752 54.1554 -27.0119 16.6063 520.247 PRESSAVG: 1715800 -18.7725 8.28464 29.5879 8.28462 -9.49551 5.81768 29.5878 5.81758 19.8268 GPRESSAVG: 1715800 -19.8688 9.21398 29.1817 8.89345 -10.3032 4.8464 30.4839 5.52177 21.1903 TIMING: 1715800 CPU: 5465.96, 0.0032063/step Wall: 5465.96, 0.00320631/step, 2.92504 hours remaining, 240.308594 MB of memory in use. ENERGY: 1715800 3942.1035 20561.0392 14489.2665 270.7830 -203360.9456 2693.2530 0.0000 0.0000 52037.6457 -109366.8546 299.0611 -161404.5003 -109006.2410 299.2782 260.0883 288.8469 760617.0113 -2.8137 -2.9939 PRESSURE: 1716000 258.878 188.767 151.052 188.769 -594.03 -55.9636 151.053 -55.9634 -194.987 GPRESSURE: 1716000 84.605 158.7 162.025 248.417 -375.697 -18.6956 146.366 -0.787025 -151.055 PRESSAVG: 1716000 -13.6871 10.5403 0.416079 10.5404 23.7736 -33.4222 0.416088 -33.4223 3.61768 GPRESSAVG: 1716000 -13.1356 11.0407 0.410944 10.3428 24.4519 -32.8544 0.724113 -32.2621 2.10731 TIMING: 1716000 CPU: 5466.6, 0.00318967/step Wall: 5466.6, 0.00318967/step, 2.90969 hours remaining, 240.308594 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: 1716000 4035.2524 20642.3757 14424.0244 264.5624 -203709.8413 2478.7377 0.0000 0.0000 52135.5256 -109729.3630 299.6236 -161864.8886 -109364.5385 299.2262 -176.7130 -147.3821 760403.7019 4.5681 4.4745 PRESSURE: 1716200 -88.5626 -249.122 51.5328 -249.123 31.7808 200.745 51.5323 200.744 -70.708 GPRESSURE: 1716200 -58.1519 -267.137 21.5818 -101.38 52.4112 176.16 69.2914 139.492 -20.0942 PRESSAVG: 1716200 9.2858 -1.71823 -11.7226 -1.71821 -9.62373 -40.1303 -11.7227 -40.1303 22.7721 GPRESSAVG: 1716200 10.1688 -2.66793 -12.7864 -0.82112 -11.2188 -40.2757 -12.3402 -41.5682 23.618 TIMING: 1716200 CPU: 5467.23, 0.00315616/step Wall: 5467.23, 0.00315616/step, 2.87894 hours remaining, 240.308594 MB of memory in use. ENERGY: 1716200 3910.8371 20440.8808 14481.8692 233.1232 -203451.3757 2512.2500 0.0000 0.0000 52240.8017 -109631.6135 300.2286 -161872.4152 -109270.8064 299.2173 -42.4966 -8.6116 760637.0168 7.4781 7.5227 LDB: ============= START OF LOAD BALANCING ============== 5479.68 LDB: ============== END OF LOAD BALANCING =============== 5479.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5479.68 LDB: ============= START OF LOAD BALANCING ============== 5480 LDB: Largest compute 7060 load 0.040364 is 20.7% of average load 0.195093 LDB: Average compute 0.004417 is 2.3% of average load 0.195093 LDB: TIME 5480.01 LOAD: AVG 0.195093 MAX 0.217426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.082 MB LDB: TIME 5480.01 LOAD: AVG 0.195093 MAX 0.217426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.082 MB LDB: TIME 5480.01 LOAD: AVG 0.195093 MAX 0.217426 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.082 MB LDB: ============== END OF LOAD BALANCING =============== 5480.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5480.02 PRESSURE: 1716400 182.561 -204.739 125.85 -204.74 -32.6709 67.6091 125.85 67.6096 43.0229 GPRESSURE: 1716400 243.169 -267.311 124.052 -207.928 -39.9139 149.474 67.9433 78.5165 81.0319 PRESSAVG: 1716400 23.2304 10.643 -6.04189 10.643 9.02377 -42.7432 -6.04185 -42.7431 -18.9145 GPRESSAVG: 1716400 22.9249 8.01499 -4.83092 13.0077 9.38678 -42.5181 -6.19458 -42.406 -19.1429 TIMING: 1716400 CPU: 5467.88, 0.00326134/step Wall: 5467.88, 0.00326134/step, 2.9747 hours remaining, 241.039062 MB of memory in use. ENERGY: 1716400 4019.8234 20515.2046 14456.8737 247.0152 -203017.3864 2334.0745 0.0000 0.0000 51955.0190 -109489.3759 298.5862 -161444.3950 -109125.5684 299.4415 64.3043 94.7624 760394.1679 4.4465 4.3896 PRESSURE: 1716600 57.7409 -287.947 -144.68 -287.948 -152.946 -133.863 -144.679 -133.863 -84.357 GPRESSURE: 1716600 53.5509 -286.499 -192.146 -153.684 -133.506 -220.162 -80.1587 -58.9397 -14.377 PRESSAVG: 1716600 83.6411 19.494 -2.59235 19.494 -70.3869 -14.2853 -2.59236 -14.2853 0.418112 GPRESSAVG: 1716600 83.1378 20.4982 -2.44546 18.9878 -69.5889 -13.5246 -0.614553 -14.9424 0.000741706 TIMING: 1716600 CPU: 5468.51, 0.00316293/step Wall: 5468.51, 0.00316293/step, 2.88477 hours remaining, 241.109375 MB of memory in use. ENERGY: 1716600 3926.6714 20468.4482 14491.5261 251.7514 -203357.6937 2590.2587 0.0000 0.0000 52083.7079 -109545.3299 299.3258 -161629.0379 -109183.2820 299.1704 -59.8541 -31.4440 761600.9653 4.5574 4.5165 PRESSURE: 1716800 -434.335 36.8262 36.4664 36.8267 54.5931 -29.3488 36.4668 -29.3482 -61.8132 GPRESSURE: 1716800 -222.628 100.491 96.9798 -158.771 0.990892 -38.5721 95.4583 -78.6171 -144.99 PRESSAVG: 1716800 3.89408 -41.4213 -14.523 -41.4213 1.97217 -36.0177 -14.523 -36.0177 5.30881 GPRESSAVG: 1716800 4.905 -38.6943 -13.0171 -44.1397 1.00723 -35.2206 -15.4765 -35.8133 5.41755 TIMING: 1716800 CPU: 5469.15, 0.00318411/step Wall: 5469.15, 0.00318411/step, 2.90391 hours remaining, 241.109375 MB of memory in use. ENERGY: 1716800 3910.0576 20607.7057 14399.1253 228.6470 -203460.9580 2422.0763 0.0000 0.0000 52334.3706 -109558.9754 300.7663 -161893.3460 -109201.2372 299.1436 -147.1852 -122.2091 760452.1113 3.7250 3.7766 PRESSURE: 1717000 -29.4446 22.3042 162.958 22.3037 78.0981 140.331 162.959 140.33 -570.639 GPRESSURE: 1717000 -122.223 89.1864 175.506 39.6784 139.272 87.7269 159.781 83.8559 -457.035 PRESSAVG: 1717000 -9.57811 -13.3431 27.6256 -13.3431 12.6189 -13.5169 27.6255 -13.5169 -9.22561 GPRESSAVG: 1717000 -11.3288 -14.2883 24.877 -12.939 14.2715 -14.009 29.0989 -12.1691 -9.15674 TIMING: 1717000 CPU: 5469.78, 0.00316397/step Wall: 5469.78, 0.00316397/step, 2.88537 hours remaining, 241.109375 MB of memory in use. ENERGY: 1717000 3968.2632 20438.6495 14436.9980 254.3771 -202844.0394 2379.8974 0.0000 0.0000 51884.0512 -109481.8030 298.1784 -161365.8542 -109115.6094 298.9741 -173.9952 -146.6619 761810.9137 -2.0616 -2.0713 PRESSURE: 1717200 -29.8621 -150.872 83.4891 -150.872 44.7863 -59.0587 83.4885 -59.0597 102.743 GPRESSURE: 1717200 -30.0499 -102.859 38.1335 -183.832 101.845 -65.6915 12.7336 -0.98474 114.952 PRESSAVG: 1717200 -13.0016 -55.8028 29.3881 -55.8027 32.541 -1.11598 29.3881 -1.11593 27.2297 GPRESSAVG: 1717200 -12.4034 -56.0628 30.6734 -55.2796 32.0417 -0.63585 26.5663 -1.57936 27.1412 TIMING: 1717200 CPU: 5470.42, 0.00317707/step Wall: 5470.42, 0.00317707/step, 2.89714 hours remaining, 241.109375 MB of memory in use. ENERGY: 1717200 3996.9402 20533.0507 14450.0954 248.6790 -203378.6676 2455.9162 0.0000 0.0000 52299.5024 -109394.4838 300.5660 -161693.9861 -109038.0097 299.1835 39.2225 62.2491 759990.0680 15.5897 15.5932 PRESSURE: 1717400 -36.9688 23.7145 -237.386 23.7146 -479.435 -314.577 -237.386 -314.578 -151.823 GPRESSURE: 1717400 32.9438 -79.1208 -216.363 163.056 -395.887 -242.814 -232.413 -345.834 -223.269 PRESSAVG: 1717400 -49.6447 -18.47 3.31005 -18.47 8.46926 -54.1135 3.3101 -54.1135 13.7622 GPRESSAVG: 1717400 -49.0627 -20.5568 3.33663 -16.4566 8.46898 -55.443 4.05838 -56.3706 12.8066 TIMING: 1717400 CPU: 5471.06, 0.00320829/step Wall: 5471.06, 0.00320829/step, 2.92542 hours remaining, 241.109375 MB of memory in use. ENERGY: 1717400 4013.0667 20427.7687 14474.7234 255.4951 -203170.8821 2559.4349 0.0000 0.0000 52227.3316 -109213.0618 300.1512 -161440.3934 -108853.9636 299.8797 -222.7422 -195.4042 760410.4395 -9.1377 -9.2624 PRESSURE: 1717600 -286.658 88.1336 116.032 88.1326 -294.707 -52.5317 116.033 -52.5312 -296.573 GPRESSURE: 1717600 -261.919 20.1089 182.545 32.5924 -231.031 -21.7075 141.018 -116.301 -275.976 PRESSAVG: 1717600 -6.95125 -38.3406 30.5201 -38.3406 19.3999 -74.8153 30.5201 -74.8153 9.50213 GPRESSAVG: 1717600 -7.77259 -36.2223 27.2361 -41.7758 21.1104 -75.6281 32.7049 -71.4608 8.93257 TIMING: 1717600 CPU: 5471.71, 0.00323858/step Wall: 5471.71, 0.00323858/step, 2.95286 hours remaining, 241.109375 MB of memory in use. ENERGY: 1717600 3999.7478 20615.4514 14443.6526 241.9427 -203005.1579 2314.8019 0.0000 0.0000 52164.7682 -109224.7933 299.7916 -161389.5615 -108869.1641 299.7522 -292.6464 -256.3089 760352.0140 7.3169 7.4235 PRESSURE: 1717800 -100.813 -166.791 -55.8159 -166.791 -11.7108 62.2202 -55.816 62.22 -206.97 GPRESSURE: 1717800 -141.772 -215.012 -119.42 -147.531 27.513 157.625 -149.76 -3.55652 -137.166 PRESSAVG: 1717800 8.58488 -23.5265 57.358 -23.5265 31.5345 -46.5051 57.358 -46.5051 -20.0407 GPRESSAVG: 1717800 9.17317 -23.3346 58.517 -23.9613 29.5826 -44.3041 55.8216 -50.6608 -18.6772 TIMING: 1717800 CPU: 5472.34, 0.00318557/step Wall: 5472.34, 0.00318557/step, 2.90436 hours remaining, 241.109375 MB of memory in use. ENERGY: 1717800 4029.2717 20588.3889 14469.5669 237.5667 -203119.4607 2338.6481 0.0000 0.0000 52149.4423 -109306.5762 299.7036 -161456.0185 -108942.4689 299.8538 -106.4981 -83.8086 758929.9174 6.6929 6.6929 PRESSURE: 1718000 -193.073 -131.546 -204.422 -131.546 63.1611 52.5322 -204.423 52.5315 -229.661 GPRESSURE: 1718000 -166.694 -171.804 -204.594 -152.488 119.214 101.023 -289.593 55.5869 -225.129 PRESSAVG: 1718000 -9.49108 -24.3604 22.432 -24.3604 29.0829 -33.1011 22.432 -33.101 0.918793 GPRESSAVG: 1718000 -9.41551 -25.4174 23.9465 -24.1958 28.842 -32.889 23.0488 -31.629 1.12821 TIMING: 1718000 CPU: 5472.98, 0.00318905/step Wall: 5472.98, 0.00318905/step, 2.90735 hours remaining, 241.109375 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: 1718000 3994.0739 20581.0684 14387.4480 241.1788 -202756.7262 2331.0971 0.0000 0.0000 51867.8494 -109354.0106 298.0852 -161221.8600 -108992.2343 299.7936 -119.8577 -90.8698 760110.0917 6.8369 6.8516 PRESSURE: 1718200 -61.1465 166.38 -23.0962 166.38 -276.39 19.2232 -23.0959 19.2236 -2.90585 GPRESSURE: 1718200 -41.9168 177.81 -60.6745 156.092 -225.613 18.7715 80.1939 -102.502 18.826 PRESSAVG: 1718200 3.78324 15.4358 21.2511 15.4359 -7.81177 -28.833 21.2511 -28.833 -17.3213 GPRESSAVG: 1718200 3.6747 17.0019 21.4779 14.281 -7.87937 -29.9878 20.7507 -27.2416 -16.9206 TIMING: 1718200 CPU: 5473.62, 0.00321283/step Wall: 5473.62, 0.00321283/step, 2.92886 hours remaining, 241.109375 MB of memory in use. ENERGY: 1718200 4020.6281 20313.6884 14480.2127 221.7435 -203203.8759 2452.0890 0.0000 0.0000 52190.9448 -109524.5694 299.9421 -161715.5142 -109160.2154 299.1195 -113.4807 -82.9014 761810.4380 -7.1166 -7.0418 PRESSURE: 1718400 37.9165 -159.379 62.2749 -159.379 -298.358 12.2157 62.2738 12.2165 -130.134 GPRESSURE: 1718400 115.421 -146.604 96.6095 -116.428 -237.892 15.8095 76.9666 12.1604 -182.548 PRESSAVG: 1718400 -60.1024 -65.0766 57.6443 -65.0767 44.2979 -2.74208 57.6443 -2.74199 6.61233 GPRESSAVG: 1718400 -59.3031 -66.1435 56.6459 -64.0268 45.1528 -3.70026 58.9858 -2.94515 5.27519 TIMING: 1718400 CPU: 5474.26, 0.00320426/step Wall: 5474.26, 0.00320426/step, 2.92086 hours remaining, 241.109375 MB of memory in use. ENERGY: 1718400 4015.8019 20479.1275 14456.4727 257.1890 -203179.7749 2440.2158 0.0000 0.0000 52111.9316 -109419.0364 299.4880 -161530.9680 -109064.6204 299.3955 -130.1919 -101.6731 761882.9887 -3.0640 -2.9584 PRESSURE: 1718600 -168.947 26.2889 -174.714 26.288 -300.183 -162.86 -174.715 -162.859 0.14203 GPRESSURE: 1718600 -201.697 73.2936 -150.165 1.93142 -170.518 -84.6471 -183.835 -161.018 -5.75011 PRESSAVG: 1718600 3.37271 -3.6959 41.4276 -3.69589 38.2341 26.7103 41.4276 26.7104 11.3451 GPRESSAVG: 1718600 2.75836 -2.22026 41.4535 -3.15976 38.1017 28.6592 40.9783 24.8184 11.8032 TIMING: 1718600 CPU: 5474.9, 0.00318677/step Wall: 5474.9, 0.00318677/step, 2.90474 hours remaining, 241.109375 MB of memory in use. ENERGY: 1718600 3949.5728 20511.2621 14366.0235 246.1031 -203142.7879 2342.6822 0.0000 0.0000 52137.1408 -109590.0035 299.6329 -161727.1443 -109227.1826 298.8489 -156.3294 -125.9885 760072.0702 17.6506 17.5544 PRESSURE: 1718800 152.371 -150.507 84.1424 -150.507 -247.374 11.1769 84.1426 11.1778 -323.642 GPRESSURE: 1718800 161.15 -138.512 50.4329 -43.8064 -192.006 -59.3174 53.4262 44.417 -296.806 PRESSAVG: 1718800 17.5358 -54.2902 -0.814576 -54.2902 -15.7693 2.59839 -0.814511 2.59839 5.45185 GPRESSAVG: 1718800 17.147 -54.3076 -1.13385 -50.6837 -15.2912 2.23848 -0.264108 3.32822 5.65205 TIMING: 1718800 CPU: 5475.53, 0.00316462/step Wall: 5475.53, 0.00316462/step, 2.88437 hours remaining, 241.109375 MB of memory in use. ENERGY: 1718800 3991.2425 20594.9801 14504.4458 262.6300 -203003.2270 2187.4361 0.0000 0.0000 51815.9070 -109646.5854 297.7867 -161462.4924 -109278.7838 299.0867 -139.5482 -109.2208 759269.1754 2.4061 2.5026 PRESSURE: 1719000 -162.754 208.394 -114.592 208.394 -338.407 33.1383 -114.592 33.1374 -256.468 GPRESSURE: 1719000 -151.746 261.869 -66.7718 153.135 -310.817 63.9995 -49.4724 11.5995 -213.231 PRESSAVG: 1719000 37.7705 -39.5377 -10.3907 -39.5377 -22.6069 -17.9534 -10.3907 -17.9533 -5.14786 GPRESSAVG: 1719000 37.4801 -39.7783 -9.14415 -42.967 -23.1652 -18.2598 -12.028 -19.8281 -4.38216 TIMING: 1719000 CPU: 5476.17, 0.00317377/step Wall: 5476.17, 0.00317377/step, 2.89254 hours remaining, 241.109375 MB of memory in use. ENERGY: 1719000 4066.6740 20487.4680 14405.0368 238.8491 -203537.5509 2545.3522 0.0000 0.0000 52149.9362 -109644.2345 299.7064 -161794.1707 -109275.6087 299.1283 -252.5428 -225.2646 761663.6466 3.3386 3.3109 PRESSURE: 1719200 212.995 40.8383 -22.1387 40.8388 389.105 -123.742 -22.1392 -123.743 196.386 GPRESSURE: 1719200 282.432 -14.5029 21.6617 -36.0185 347.073 -106.737 -69.0685 -70.3591 251.909 PRESSAVG: 1719200 62.6229 -47.1392 30.1814 -47.1392 -46.4318 -21.9561 30.1815 -21.9562 -16.6671 GPRESSAVG: 1719200 62.5244 -47.6322 30.275 -48.0832 -45.3501 -24.1048 31.095 -17.7671 -17.7691 TIMING: 1719200 CPU: 5476.81, 0.00318294/step Wall: 5476.81, 0.00318294/step, 2.90072 hours remaining, 241.109375 MB of memory in use. ENERGY: 1719200 3977.0501 20561.5669 14396.7822 233.7527 -203478.4035 2500.0517 0.0000 0.0000 51952.4856 -109856.7143 298.5716 -161809.1999 -109507.8181 299.1730 266.1620 293.8044 760326.2900 -0.1587 -0.1983 PRESSURE: 1719400 91.1505 -38.7049 76.9545 -38.7048 -23.0553 -12.4341 76.9544 -12.4342 266.185 GPRESSURE: 1719400 169.036 -23.9016 -11.4246 -97.3022 -24.0394 -25.7097 26.0355 -125.566 299.255 PRESSAVG: 1719400 10.8042 11.071 29.3632 11.071 -9.79858 7.27119 29.3632 7.27116 11.6315 GPRESSAVG: 1719400 11.6643 10.581 28.1123 12.3616 -11.0661 8.49063 27.1821 5.98588 11.9306 TIMING: 1719400 CPU: 5477.44, 0.0031828/step Wall: 5477.44, 0.0031828/step, 2.90042 hours remaining, 241.109375 MB of memory in use. ENERGY: 1719400 3988.6018 20440.8016 14351.3156 242.6397 -203357.7105 2743.6642 0.0000 0.0000 51754.1717 -109836.5159 297.4319 -161590.6877 -109474.7361 298.7615 111.4266 148.0838 759899.1783 4.2124 4.1763 PRESSURE: 1719600 -128.48 45.973 -267.373 45.9725 -159.008 -89.9637 -267.373 -89.9646 -489.658 GPRESSURE: 1719600 -132.179 33.9782 -218.056 95.736 -121.034 -158.548 -130.776 -94.0224 -447.831 PRESSAVG: 1719600 -10.4011 9.9914 35.9694 9.99141 40.8186 23.5741 35.9694 23.574 -8.33017 GPRESSAVG: 1719600 -9.48363 11.43 36.6485 10.2705 40.2365 23.5853 38.0635 23.4866 -9.03193 TIMING: 1719600 CPU: 5478.08, 0.00320446/step Wall: 5478.08, 0.00320446/step, 2.91998 hours remaining, 241.109375 MB of memory in use. ENERGY: 1719600 3985.7961 20417.2207 14469.4216 261.8081 -203498.4631 2509.2367 0.0000 0.0000 51912.4616 -109942.5182 298.3416 -161854.9798 -109585.5104 298.5367 -259.0486 -233.6813 761787.5786 7.3625 7.2403 PRESSURE: 1719800 198.668 75.2493 21.0919 75.25 13.3883 -305.477 21.0926 -305.478 -18.4278 GPRESSURE: 1719800 119.431 118.331 -5.8734 -60.7402 99.5547 -329.435 -21.9653 -256.404 49.237 PRESSAVG: 1719800 44.2026 44.9224 -27.7474 44.9224 -43.725 31.9209 -27.7473 31.9209 13.6717 GPRESSAVG: 1719800 41.4447 44.7418 -27.2636 44.5929 -42.7828 31.805 -28.6364 31.8315 16.0258 TIMING: 1719800 CPU: 5478.73, 0.00321689/step Wall: 5478.73, 0.00321689/step, 2.93112 hours remaining, 241.109375 MB of memory in use. ENERGY: 1719800 3979.6491 20424.8623 14478.0797 250.1478 -203607.5204 2556.2854 0.0000 0.0000 51916.9096 -110001.5865 298.3672 -161918.4961 -109642.8071 298.7982 64.5428 89.4076 761690.4509 4.7164 4.8959 PRESSURE: 1720000 357.367 286.542 -28.5346 286.543 313.56 -217.227 -28.5353 -217.227 425.928 GPRESSURE: 1720000 435.87 159.255 -54.924 235.655 328.393 -214.375 7.69685 -99.3257 406.323 PRESSAVG: 1720000 1.6487 56.3331 -63.6319 56.3331 1.61455 -42.6804 -63.632 -42.6804 -2.28758 GPRESSAVG: 1720000 3.37796 55.4183 -62.0461 56.7944 2.42338 -43.1026 -65.4846 -41.6727 -4.41341 TIMING: 1720000 CPU: 5479.37, 0.00320991/step Wall: 5479.37, 0.00320991/step, 2.92458 hours remaining, 241.109375 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: 1720000 3905.4275 20438.0507 14462.3176 244.0041 -203740.1019 2795.6420 0.0000 0.0000 52038.9272 -109855.7328 299.0684 -161894.6600 -109491.4722 298.7957 365.6184 390.1955 762098.6595 0.3252 0.4626 PRESSURE: 1720200 -356.562 354.745 99.3583 354.745 -293.477 130.04 99.3577 130.041 -347.438 GPRESSURE: 1720200 -322.138 372.242 122.426 254.145 -253.71 213.238 103.844 130.709 -338.519 PRESSAVG: 1720200 11.7182 -15.1689 -54.007 -15.1689 -16.4876 7.68427 -54.007 7.68432 14.3533 GPRESSAVG: 1720200 9.99157 -13.0257 -54.5534 -15.3545 -16.9067 9.00954 -51.1016 8.34545 16.2298 TIMING: 1720200 CPU: 5480.01, 0.00320771/step Wall: 5480.01, 0.00320771/step, 2.9224 hours remaining, 241.109375 MB of memory in use. ENERGY: 1720200 3997.8184 20514.4497 14479.5773 252.0894 -203347.5656 2400.9069 0.0000 0.0000 51580.8456 -110121.8784 296.4358 -161702.7240 -109765.4614 297.6868 -332.4922 -304.7889 763392.1347 3.1946 3.1049 LDB: ============= START OF LOAD BALANCING ============== 5492.47 LDB: ============== END OF LOAD BALANCING =============== 5492.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5492.47 LDB: ============= START OF LOAD BALANCING ============== 5492.79 LDB: Largest compute 7060 load 0.039412 is 20.2% of average load 0.195147 LDB: Average compute 0.004428 is 2.3% of average load 0.195147 LDB: TIME 5492.8 LOAD: AVG 0.195147 MAX 0.214984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.816 MB LDB: TIME 5492.8 LOAD: AVG 0.195147 MAX 0.214984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.91 MB LDB: TIME 5492.8 LOAD: AVG 0.195147 MAX 0.214984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.91 MB LDB: ============== END OF LOAD BALANCING =============== 5492.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5492.8 PRESSURE: 1720400 -9.82534 112.499 36.4752 112.499 -1.92958 -146.452 36.4744 -146.451 49.4714 GPRESSURE: 1720400 11.9084 135.774 34.6565 179.571 100.232 -105.274 50.4091 -122.47 34.0631 PRESSAVG: 1720400 46.8732 2.83167 1.39509 2.83168 17.2067 0.143018 1.39513 0.142965 -6.75149 GPRESSAVG: 1720400 48.8167 0.897245 0.527876 4.55362 17.3144 -0.268458 1.78657 -1.94973 -8.57283 TIMING: 1720400 CPU: 5480.67, 0.00329122/step Wall: 5480.67, 0.00329122/step, 2.9983 hours remaining, 240.000000 MB of memory in use. ENERGY: 1720400 3925.3481 20576.4055 14460.5824 237.0044 -203864.6126 2698.7326 0.0000 0.0000 51729.8738 -110236.6658 297.2923 -161966.5396 -109887.5699 298.0603 12.5722 48.7345 760425.2385 19.1095 19.1861 PRESSURE: 1720600 -364.833 -58.0785 -431.058 -58.0784 105.895 -6.45408 -431.06 -6.4539 -172.989 GPRESSURE: 1720600 -223.164 -100.042 -367.337 -84.5499 24.4093 -7.06238 -361.275 -40.887 -154.011 PRESSAVG: 1720600 -41.2229 -22.5137 -40.165 -22.5136 33.1094 -30.1802 -40.165 -30.1802 -17.7642 GPRESSAVG: 1720600 -42.1583 -23.0135 -39.9948 -23.4494 32.0563 -30.7014 -41.668 -29.6438 -16.2803 TIMING: 1720600 CPU: 5481.31, 0.00321388/step Wall: 5481.31, 0.00321388/step, 2.92767 hours remaining, 240.000000 MB of memory in use. ENERGY: 1720600 4011.6600 20517.0375 14382.8310 250.5870 -203562.7665 2493.0254 0.0000 0.0000 51742.3175 -110165.3080 297.3638 -161907.6256 -109814.9449 297.8384 -143.9757 -117.5884 761084.4807 -8.6259 -8.7941 PRESSURE: 1720800 -375.455 123.466 -28.4134 123.466 -308.654 -17.904 -28.4149 -17.905 -561.209 GPRESSURE: 1720800 -355.365 -1.87413 -183.754 117.386 -292.433 -88.3643 104.29 -86.6063 -525.315 PRESSAVG: 1720800 29.3431 -69.2907 -39.9747 -69.2907 -43.0123 -59.7687 -39.9748 -59.7687 -26.9848 GPRESSAVG: 1720800 30.5629 -68.7945 -40.7047 -69.0538 -43.7192 -60.2783 -39.6647 -60.4482 -27.5642 TIMING: 1720800 CPU: 5481.95, 0.00320089/step Wall: 5481.95, 0.00320089/step, 2.91566 hours remaining, 240.000000 MB of memory in use. ENERGY: 1720800 4035.6318 20479.5525 14434.3430 266.2888 -203059.3965 2112.7172 0.0000 0.0000 51628.7701 -110102.0931 296.7113 -161730.8633 -109753.6076 297.8717 -415.1059 -391.0377 762804.6992 -13.5513 -13.5735 PRESSURE: 1721000 -12.1246 62.214 -58.6005 62.2138 97.6733 -279.805 -58.6 -279.806 73.8301 GPRESSURE: 1721000 53.2272 71.8169 -80.332 69.1353 179.775 -227.56 -7.08441 -128.57 25.7266 PRESSAVG: 1721000 10.6219 -26.7211 -6.09647 -26.721 4.63396 -37.7346 -6.09649 -37.7345 2.95735 GPRESSAVG: 1721000 9.59089 -26.663 -5.73147 -27.8402 6.58108 -38.0436 -5.9914 -37.8382 2.23035 TIMING: 1721000 CPU: 5482.59, 0.00319437/step Wall: 5482.59, 0.00319437/step, 2.90954 hours remaining, 240.000000 MB of memory in use. ENERGY: 1721000 3924.8182 20364.4125 14443.5537 248.6989 -203586.4161 2326.0991 0.0000 0.0000 52118.3238 -110160.5100 299.5247 -162278.8337 -109796.0285 297.9663 53.1263 86.2428 759680.9507 6.0711 6.1341 PRESSURE: 1721200 -90.2015 -104.814 433.997 -104.814 27.4736 -92.1234 433.997 -92.1226 5.54641 GPRESSURE: 1721200 -51.5503 -113.213 428.722 -119.323 83.7933 -71.9574 302.489 -16.751 13.6244 PRESSAVG: 1721200 29.1442 -41.1552 -53.8839 -41.1551 -36.256 -15.1372 -53.8838 -15.1373 14.134 GPRESSAVG: 1721200 28.2268 -39.8025 -54.6463 -40.6855 -35.6937 -15.1432 -53.0678 -13.7095 14.2085 TIMING: 1721200 CPU: 5483.23, 0.0031976/step Wall: 5483.23, 0.0031976/step, 2.91231 hours remaining, 240.000000 MB of memory in use. ENERGY: 1721200 3977.5736 20416.9978 14394.4141 260.5695 -203168.2468 2206.8692 0.0000 0.0000 51741.4752 -110170.3474 297.3590 -161911.8226 -109815.4363 298.0052 -19.0605 15.2891 760300.3791 2.3407 2.2472 PRESSURE: 1721400 158.968 -110.859 22.3546 -110.859 198.058 25.7359 22.3542 25.7353 94.1822 GPRESSURE: 1721400 182.861 -25.6603 9.75534 -132.703 302.776 10.9236 111.62 121.703 40.6169 PRESSAVG: 1721400 4.08364 -3.36417 -62.5542 -3.36414 -17.1039 -11.2326 -62.5542 -11.2326 -4.16448 GPRESSAVG: 1721400 5.29254 -4.63278 -61.9915 -3.72474 -18.2181 -13.0238 -63.3478 -11.8225 -4.1709 TIMING: 1721400 CPU: 5483.87, 0.00320415/step Wall: 5483.87, 0.00320415/step, 2.91809 hours remaining, 240.000000 MB of memory in use. ENERGY: 1721400 3965.8547 20224.2232 14386.7626 255.7412 -203317.8474 2253.6729 0.0000 0.0000 51972.0091 -110259.5837 298.6839 -162231.5928 -109898.3575 297.3087 150.4028 175.4179 759307.9027 -5.7282 -5.6988 PRESSURE: 1721600 30.5018 -71.5295 -44.7312 -71.531 -138.521 -24.3502 -44.7298 -24.3508 9.05644 GPRESSURE: 1721600 53.5564 -34.8048 -34.2364 -171.496 -137.817 -33.9308 -71.669 -50.3411 65.7807 PRESSAVG: 1721600 20.7814 -27.5583 -16.6384 -27.5583 -50.1713 41.4508 -16.6384 41.4508 -9.28374 GPRESSAVG: 1721600 19.6285 -27.9134 -17.7798 -26.0997 -50.7215 44.9328 -17.7021 40.8507 -8.09488 TIMING: 1721600 CPU: 5484.52, 0.0032215/step Wall: 5484.52, 0.0032215/step, 2.93371 hours remaining, 240.000000 MB of memory in use. ENERGY: 1721600 3952.6631 20416.4695 14367.0244 256.6544 -203532.1347 2489.7005 0.0000 0.0000 51795.0438 -110254.5791 297.6668 -162049.6229 -109890.4084 297.2644 -32.9875 -6.1599 760152.1518 -12.8912 -13.0626 PRESSURE: 1721800 -84.9288 43.947 90.2844 43.9475 249.508 87.353 90.2837 87.3527 -15.1467 GPRESSURE: 1721800 14.0011 25.7417 97.6232 93.9468 292.595 -20.6888 177.671 76.175 -49.641 PRESSAVG: 1721800 23.6693 -49.2797 25.3609 -49.2797 4.41539 55.7172 25.3609 55.7171 2.85204 GPRESSAVG: 1721800 24.68 -48.8024 27.9566 -50.928 4.35067 55.1932 27.2127 56.3829 1.39938 TIMING: 1721800 CPU: 5485.15, 0.00319659/step Wall: 5485.15, 0.00319659/step, 2.91085 hours remaining, 240.000000 MB of memory in use. ENERGY: 1721800 3934.3694 20571.1013 14445.4408 240.0993 -203730.2295 2658.3000 0.0000 0.0000 51739.9062 -110141.0125 297.3500 -161880.9186 -109780.3538 297.9282 49.8109 85.6517 760181.0923 10.3122 10.1433 PRESSURE: 1722000 -298.27 -4.9389 33.6576 -4.93866 -49.1026 -25.8602 33.6574 -25.8615 136.053 GPRESSURE: 1722000 -219.312 -69.9199 15.1534 -60.0919 -35.7671 7.7168 85.7492 -53.693 113.172 PRESSAVG: 1722000 19.5681 -34.2078 -29.3225 -34.2078 -19.4885 20.1405 -29.3225 20.1404 -3.62273 GPRESSAVG: 1722000 19.4815 -33.8272 -28.8791 -33.9676 -20.0016 19.3436 -31.3349 20.4208 -2.94581 TIMING: 1722000 CPU: 5485.79, 0.00319677/step Wall: 5485.79, 0.00319677/step, 2.91084 hours remaining, 240.000000 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: 1722000 3947.7075 20499.3318 14420.6109 233.7558 -203246.1082 2318.2082 0.0000 0.0000 51635.1669 -110191.3269 296.7480 -161826.4939 -109824.1991 297.9377 -70.4397 -47.3024 760560.9307 -1.1810 -1.1553 PRESSURE: 1722200 -158.938 45.507 24.5455 45.5074 -224.833 10.9198 24.5451 10.9185 217.352 GPRESSURE: 1722200 -153.771 -7.88957 67.6791 82.7238 -169.162 33.6521 -31.2153 65.0227 234.054 PRESSAVG: 1722200 -61.1456 -25.0975 -11.4837 -25.0975 8.71225 10.5616 -11.4837 10.5616 -20.2602 GPRESSAVG: 1722200 -61.2586 -24.6833 -11.2477 -24.6917 10.3321 11.5479 -12.7746 9.61688 -21.447 TIMING: 1722200 CPU: 5486.43, 0.00319798/step Wall: 5486.43, 0.00319798/step, 2.91176 hours remaining, 240.000000 MB of memory in use. ENERGY: 1722200 3864.9855 20435.6645 14354.6679 239.9574 -203346.7308 2388.4720 0.0000 0.0000 51754.2162 -110308.7674 297.4322 -162062.9835 -109955.7254 297.3439 -55.4732 -29.6262 761513.1564 -24.2312 -24.1245 PRESSURE: 1722400 -215.969 132.275 -114.708 132.276 -273.213 110.875 -114.708 110.875 -126.233 GPRESSURE: 1722400 -154.75 124.569 -120.666 -14.0654 -277.616 92.3714 -191.82 157.566 -105.099 PRESSAVG: 1722400 -22.7595 -36.0792 -27.9791 -36.0792 19.8137 54.5055 -27.9791 54.5055 -3.09862 GPRESSAVG: 1722400 -22.69 -37.8244 -29.2466 -36.4199 18.7724 52.7933 -27.8855 58.1817 -1.90557 TIMING: 1722400 CPU: 5487.07, 0.00320362/step Wall: 5487.07, 0.00320362/step, 2.91672 hours remaining, 240.000000 MB of memory in use. ENERGY: 1722400 3976.6133 20406.5768 14456.8592 251.9502 -203527.7098 2384.5655 0.0000 0.0000 51717.7513 -110333.3936 297.2226 -162051.1449 -109976.0468 297.5365 -205.1385 -179.1550 760901.7713 -2.0148 -1.9411 PRESSURE: 1722600 -155.671 39.047 -163.575 39.0469 -58.5785 -125.791 -163.575 -125.791 -203.938 GPRESSURE: 1722600 -201.309 70.311 -232.517 -122.178 -42.5321 -26.7439 -169.47 -137.04 -95.9287 PRESSAVG: 1722600 -66.3023 -82.0966 -92.512 -82.0966 48.3653 -17.8899 -92.512 -17.8899 5.42485 GPRESSAVG: 1722600 -66.6602 -78.7847 -92.0796 -81.7065 48.2268 -17.6941 -90.2913 -21.4332 5.69638 TIMING: 1722600 CPU: 5487.71, 0.00319385/step Wall: 5487.71, 0.00319385/step, 2.90764 hours remaining, 240.000000 MB of memory in use. ENERGY: 1722600 4022.2912 20410.5750 14486.5481 249.1427 -203169.5117 2133.9279 0.0000 0.0000 51610.0673 -110256.9594 296.6038 -161867.0267 -109906.8297 297.5168 -139.3960 -113.2566 760883.2716 -4.1707 -4.2457 PRESSURE: 1722800 -309.145 -87.6233 155.396 -87.6235 63.9232 50.3129 155.396 50.3124 -167.913 GPRESSURE: 1722800 -293.151 -137.114 162.759 -19.7165 84.2058 20.3457 9.71871 36.6594 -128.023 PRESSAVG: 1722800 -64.2696 30.1888 -32.3824 30.1888 86.5284 -18.0296 -32.3824 -18.0296 3.95803 GPRESSAVG: 1722800 -64.686 27.7561 -33.2064 30.0676 86.6801 -16.6299 -33.0037 -16.7502 3.77783 TIMING: 1722800 CPU: 5488.35, 0.00319476/step Wall: 5488.35, 0.00319476/step, 2.90829 hours remaining, 240.000000 MB of memory in use. ENERGY: 1722800 3990.5076 20412.9451 14450.3439 232.9605 -203430.0968 2503.5595 0.0000 0.0000 51870.5869 -109969.1932 298.1010 -161839.7801 -109611.0135 297.9846 -137.7119 -112.3228 760172.0599 8.7389 8.5907 PRESSURE: 1723000 -17.6109 -28.0084 81.9439 -28.0076 -65.5097 62.5401 81.9432 62.5399 -137.894 GPRESSURE: 1723000 64.2522 25.0254 26.6975 -91.9365 -49.0615 86.6913 111.549 -61.9516 -162.289 PRESSAVG: 1723000 -59.0906 -27.3862 -41.3845 -27.3862 47.9269 -20.7838 -41.3845 -20.7837 -4.92326 GPRESSAVG: 1723000 -58.1441 -26.607 -41.6796 -24.9188 46.962 -21.1548 -42.2718 -19.8814 -4.87213 TIMING: 1723000 CPU: 5488.99, 0.00318758/step Wall: 5488.99, 0.00318758/step, 2.90158 hours remaining, 240.000000 MB of memory in use. ENERGY: 1723000 3959.2037 20461.6715 14473.4023 249.2823 -203268.8192 2244.6514 0.0000 0.0000 52000.0957 -109880.5123 298.8453 -161880.6080 -109516.3299 298.0501 -73.6716 -49.0327 761493.6483 -5.3623 -5.3514 PRESSURE: 1723200 -247.751 -205.497 129.414 -205.497 224.266 43.0518 129.415 43.0517 24.8387 GPRESSURE: 1723200 -180.866 -207.068 60.2772 -226.853 153.171 96.9957 95.0842 39.4154 98.6356 PRESSAVG: 1723200 1.32986 -18.6717 -16.342 -18.6717 5.47541 -60.3417 -16.342 -60.3416 16.0139 GPRESSAVG: 1723200 1.22294 -20.4973 -18.203 -19.824 5.75596 -60.4363 -14.5347 -61.2638 15.5457 TIMING: 1723200 CPU: 5489.63, 0.00319066/step Wall: 5489.63, 0.00319066/step, 2.90421 hours remaining, 240.000000 MB of memory in use. ENERGY: 1723200 4010.1991 20336.8258 14450.3080 264.5117 -203747.2034 2756.6616 0.0000 0.0000 52115.3397 -109813.3577 299.5076 -161928.6973 -109459.9314 299.0705 0.4512 23.6469 760358.8997 7.6064 7.5082 PRESSURE: 1723400 231.146 -65.8426 -83.254 -65.8425 -310.534 -98.133 -83.2542 -98.1341 -257.699 GPRESSURE: 1723400 161.992 22.6663 -10.5565 -39.3668 -219.75 -57.3298 -28.0253 -157.667 -201.552 PRESSAVG: 1723400 -1.97232 12.9982 -24.9173 12.9982 42.1433 -61.3983 -24.9173 -61.3983 -25.2238 GPRESSAVG: 1723400 -2.29761 14.8114 -24.2432 13.9411 42.2042 -64.0202 -27.1175 -61.2738 -24.894 TIMING: 1723400 CPU: 5490.27, 0.00319886/step Wall: 5490.27, 0.00319886/step, 2.9115 hours remaining, 240.000000 MB of memory in use. ENERGY: 1723400 4007.4715 20477.8932 14462.3149 241.2944 -203307.0836 2312.1806 0.0000 0.0000 51954.2478 -109851.6812 298.5818 -161805.9291 -109491.6752 298.8794 -112.3620 -86.4367 760375.5915 4.9824 5.0042 PRESSURE: 1723600 -82.1647 -10.3461 59.6433 -10.3464 -7.03256 91.5369 59.6429 91.5373 333.758 GPRESSURE: 1723600 -18.967 -85.5475 60.0805 34.6131 54.4757 60.9786 79.4253 110.834 306.751 PRESSAVG: 1723600 -15.2621 -51.4959 -33.1688 -51.4959 30.0843 -53.7769 -33.1688 -53.7769 24.8697 GPRESSAVG: 1723600 -15.2452 -51.3241 -30.6354 -53.7778 30.6561 -52.8784 -31.7054 -53.9661 24.682 TIMING: 1723600 CPU: 5490.91, 0.0031923/step Wall: 5490.91, 0.0031923/step, 2.90535 hours remaining, 240.000000 MB of memory in use. ENERGY: 1723600 4012.2336 20369.0155 14383.7567 243.6700 -203789.5960 2639.1228 0.0000 0.0000 52159.1894 -109982.6080 299.7596 -162141.7974 -109612.6391 298.6204 81.5201 114.0864 759270.9933 13.2306 13.3643 PRESSURE: 1723800 -144.698 133.686 -134.638 133.686 -336.075 -291.952 -134.638 -291.952 -111.108 GPRESSURE: 1723800 -213.754 51.5912 -161.187 121.496 -251.203 -278.885 -98.5875 -162.513 -38.7463 PRESSAVG: 1723800 -45.9558 -40.7139 -7.22883 -40.7138 37.6317 -21.1476 -7.22882 -21.1477 -32.3697 GPRESSAVG: 1723800 -46.7657 -40.6288 -9.05804 -40.4249 37.6247 -19.7837 -5.27646 -20.2815 -31.5162 TIMING: 1723800 CPU: 5491.55, 0.0031982/step Wall: 5491.55, 0.0031982/step, 2.91054 hours remaining, 240.000000 MB of memory in use. ENERGY: 1723800 4028.5940 20447.0321 14440.6046 265.0223 -203692.2867 2466.4282 0.0000 0.0000 52077.5880 -109967.0176 299.2906 -162044.6055 -109604.8042 298.8126 -197.2939 -167.9012 758808.8616 -13.5646 -13.5524 PRESSURE: 1724000 -330.147 36.3013 -37.2139 36.3014 197.921 -37.1927 -37.2135 -37.1941 -117.837 GPRESSURE: 1724000 -256.344 -71.7902 -48.2145 73.792 133.474 50.2105 -22.6786 -96.6311 -49.8812 PRESSAVG: 1724000 -29.1004 -3.25037 3.89524 -3.25034 81.3416 -49.0883 3.89528 -49.0882 -7.58275 GPRESSAVG: 1724000 -27.726 -5.81033 3.45725 -2.03286 81.2959 -49.6747 3.4633 -49.9389 -8.71327 TIMING: 1724000 CPU: 5492.18, 0.00317231/step Wall: 5492.18, 0.00317231/step, 2.8868 hours remaining, 240.000000 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: 1724000 3981.9445 20415.7556 14430.6743 220.6834 -203434.2666 2445.4137 0.0000 0.0000 52005.2472 -109934.5480 298.8749 -161939.7952 -109570.3556 298.7106 -83.3543 -57.5840 760696.3448 14.8861 14.9522 PRESSURE: 1724200 -241.607 -219.211 -27.8246 -219.21 -185.495 55.4635 -27.8245 55.4642 281.802 GPRESSURE: 1724200 -275.213 -107.534 -70.0084 -89.0458 -55.2582 130.429 -197.109 13.8099 263.79 PRESSAVG: 1724200 -2.78973 -17.2604 -47.2345 -17.2605 25.5931 -7.03767 -47.2345 -7.03774 -5.01987 GPRESSAVG: 1724200 -3.6094 -13.9737 -46.9018 -18.809 25.7834 -7.46862 -49.0704 -6.72096 -4.663 TIMING: 1724200 CPU: 5492.82, 0.0031898/step Wall: 5492.82, 0.0031898/step, 2.90254 hours remaining, 240.000000 MB of memory in use. ENERGY: 1724200 3990.4913 20435.0927 14448.8714 241.2194 -203505.0647 2345.1739 0.0000 0.0000 52139.2232 -109904.9928 299.6448 -162044.2160 -109545.9797 298.7419 -48.4331 -22.2268 761358.9948 5.9278 5.8370 LDB: ============= START OF LOAD BALANCING ============== 5505.27 LDB: ============== END OF LOAD BALANCING =============== 5505.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5505.27 LDB: ============= START OF LOAD BALANCING ============== 5505.59 LDB: Largest compute 7060 load 0.037832 is 19.4% of average load 0.195122 LDB: Average compute 0.004425 is 2.3% of average load 0.195122 LDB: TIME 5505.59 LOAD: AVG 0.195122 MAX 0.211492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240 MB LDB: TIME 5505.59 LOAD: AVG 0.195122 MAX 0.211492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240 MB LDB: TIME 5505.59 LOAD: AVG 0.195122 MAX 0.211492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240 MB LDB: ============== END OF LOAD BALANCING =============== 5505.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5505.6 PRESSURE: 1724400 254.186 71.2644 -152.884 71.2632 -156.1 -174.999 -152.884 -174.999 -377.759 GPRESSURE: 1724400 203.608 59.3252 -129.012 -74.7389 -18.9277 -193.492 -93.005 -174.283 -387.978 PRESSAVG: 1724400 12.7549 8.86804 -20.4864 8.86801 -5.4999 -19.2712 -20.4864 -19.2711 -21.7155 GPRESSAVG: 1724400 12.5765 8.27885 -20.9923 8.86091 -4.85742 -19.4914 -20.1712 -21.4314 -22.3043 TIMING: 1724400 CPU: 5493.47, 0.00323718/step Wall: 5493.47, 0.00323718/step, 2.94547 hours remaining, 239.488281 MB of memory in use. ENERGY: 1724400 3988.2554 20352.5856 14311.7924 266.3959 -203493.0136 2714.1026 0.0000 0.0000 51831.0507 -110028.8310 297.8738 -161859.8817 -109664.0714 298.5844 -93.2244 -67.7659 762029.2587 -4.8202 -4.8617 PRESSURE: 1724600 313.035 183.101 182.722 183.102 139.023 -37.1827 182.722 -37.183 121.712 GPRESSURE: 1724600 374.658 237.165 172.617 129.197 127.129 -133.749 217.624 107.108 168.28 PRESSAVG: 1724600 1.98344 9.85299 -33.1679 9.853 42.6425 8.44459 -33.1678 8.44455 11.3568 GPRESSAVG: 1724600 2.5709 9.4756 -31.9071 10.6991 41.8066 7.28303 -32.026 11.2343 11.2432 TIMING: 1724600 CPU: 5494.1, 0.00319359/step Wall: 5494.1, 0.00319359/step, 2.90564 hours remaining, 239.488281 MB of memory in use. ENERGY: 1724600 3946.1342 20505.1233 14345.4043 235.9467 -203498.2687 2633.0416 0.0000 0.0000 51913.0102 -109919.6084 298.3448 -161832.6186 -109563.8701 298.6631 191.2565 223.3558 760454.4307 18.6609 18.5402 PRESSURE: 1724800 254.416 59.8709 65.4132 59.8715 -479.053 -21.2871 65.4131 -21.2863 -37.3929 GPRESSURE: 1724800 267.242 153.888 134.406 48.2708 -437.935 -28.6973 -89.1476 -6.09485 -24.4434 PRESSAVG: 1724800 -1.51483 1.673 -19.5866 1.67293 13.2077 -11.6342 -19.5866 -11.6342 11.7269 GPRESSAVG: 1724800 -2.65587 1.67537 -18.3278 2.09307 14.2558 -10.2093 -22.3309 -12.7943 11.5704 TIMING: 1724800 CPU: 5494.74, 0.00320166/step Wall: 5494.74, 0.00320166/step, 2.9128 hours remaining, 239.488281 MB of memory in use. ENERGY: 1724800 3958.2710 20552.1425 14399.9380 258.5873 -203855.2286 2822.9454 0.0000 0.0000 52002.7919 -109860.5525 298.8608 -161863.3444 -109503.4112 298.8457 -87.3432 -65.0455 759905.9957 7.8066 7.7235 PRESSURE: 1725000 18.851 -92.1733 79.4143 -92.173 52.7832 46.1175 79.4141 46.118 223.045 GPRESSURE: 1725000 189.609 -16.2816 -64.0692 -78.8155 -38.858 64.7441 28.8801 -21.3431 235.128 PRESSAVG: 1725000 -5.27095 -19.5669 -56.0568 -19.5669 7.65095 6.63874 -56.0568 6.63873 9.34289 GPRESSAVG: 1725000 -4.85824 -20.2477 -57.4383 -20.7688 6.93329 8.96468 -54.9877 6.21706 9.51058 TIMING: 1725000 CPU: 5495.38, 0.00318637/step Wall: 5495.38, 0.00318637/step, 2.89871 hours remaining, 239.488281 MB of memory in use. ENERGY: 1725000 3914.3831 20453.2302 14454.3476 236.5688 -203412.7310 2435.5313 0.0000 0.0000 51981.7976 -109936.8724 298.7401 -161918.6701 -109579.3727 298.6497 98.2265 128.6262 758958.8717 3.9076 3.8619 PRESSURE: 1725200 -159.006 190.374 251.603 190.375 -90.4865 -54.8189 251.602 -54.8179 -274.904 GPRESSURE: 1725200 -192.747 287.914 113.293 141.602 -20.3317 -134.229 283.723 -83.1463 -246.495 PRESSAVG: 1725200 17.3009 4.60044 18.6863 4.60042 33.0278 17.3254 18.6863 17.3254 1.21772 GPRESSAVG: 1725200 16.9079 7.12995 17.3171 4.57616 32.0539 15.1071 17.8013 16.7168 2.06721 TIMING: 1725200 CPU: 5496.02, 0.0031777/step Wall: 5496.02, 0.0031777/step, 2.89065 hours remaining, 239.488281 MB of memory in use. ENERGY: 1725200 3955.5712 20504.7988 14503.2240 245.1686 -203482.5745 2317.4898 0.0000 0.0000 51876.2580 -110080.0641 298.1336 -161956.3220 -109723.1679 298.6178 -174.7989 -153.1914 758909.9959 17.1821 17.0097 PRESSURE: 1725400 187.842 -109.489 149.352 -109.49 43.5704 -105.181 149.353 -105.182 60.408 GPRESSURE: 1725400 178.065 -46.8709 214.121 -117.362 72.2577 -145.171 191.978 -80.9021 130.939 PRESSAVG: 1725400 -16.6696 1.88939 -14.752 1.88942 10.083 9.32365 -14.752 9.32364 -10.9929 GPRESSAVG: 1725400 -16.5664 -0.277085 -13.8279 -0.274686 9.64906 11.6124 -12.4996 10.0934 -10.9282 TIMING: 1725400 CPU: 5496.66, 0.00319375/step Wall: 5496.66, 0.00319375/step, 2.90507 hours remaining, 239.488281 MB of memory in use. ENERGY: 1725400 3962.3694 20492.1769 14481.9375 271.6349 -204255.5455 2986.1146 0.0000 0.0000 51932.0925 -110129.2197 298.4544 -162061.3122 -109769.7358 298.6556 97.2735 127.0870 758064.5188 -5.8598 -5.9485 PRESSURE: 1725600 -288.228 84.649 -137.257 84.6495 60.0763 18.6431 -137.257 18.6426 8.43571 GPRESSURE: 1725600 -222.527 81.3149 -83.829 148.672 87.8996 -47.5453 -24.789 93.9026 6.56106 PRESSAVG: 1725600 -49.8556 -44.6521 -21.2947 -44.6521 20.7297 -55.0096 -21.2948 -55.0096 11.0389 GPRESSAVG: 1725600 -48.4652 -45.2892 -20.3618 -42.3531 20.2904 -57.2599 -24.3851 -55.2502 10.5777 TIMING: 1725600 CPU: 5497.29, 0.00319238/step Wall: 5497.29, 0.00319238/step, 2.90364 hours remaining, 239.488281 MB of memory in use. ENERGY: 1725600 3889.0846 20552.2180 14488.2264 224.2509 -203512.9582 2481.1275 0.0000 0.0000 51813.5730 -110064.4777 297.7733 -161878.0507 -109698.5643 298.8393 -73.2387 -42.6888 758296.6769 -6.0290 -5.8657 PRESSURE: 1725800 90.2619 -38.6872 -121.621 -38.6883 -127.451 140.496 -121.621 140.496 268.16 GPRESSURE: 1725800 7.6257 -62.2391 -93.3026 -130.261 -22.2032 157.924 -87.4647 83.0255 332.895 PRESSAVG: 1725800 27.4292 -36.9766 -21.7022 -36.9767 12.2592 -15.9248 -21.7022 -15.9249 -9.74985 GPRESSAVG: 1725800 25.9723 -34.771 -21.7423 -38.6667 13.9298 -16.8542 -18.9212 -12.7861 -9.49896 TIMING: 1725800 CPU: 5497.93, 0.00320061/step Wall: 5497.93, 0.00320061/step, 2.91095 hours remaining, 239.488281 MB of memory in use. ENERGY: 1725800 3989.2283 20516.0355 14471.5399 239.4628 -203644.1575 2573.3166 0.0000 0.0000 51933.9395 -109920.6350 298.4651 -161854.5744 -109566.7089 298.4642 76.9901 106.1059 759123.0119 9.9795 10.1344 PRESSURE: 1726000 382.441 33.9143 230.849 33.9133 333.952 -110.54 230.849 -110.542 299.959 GPRESSURE: 1726000 465.032 -92.4272 159.333 -7.74751 403.457 -68.3722 69.1321 -163.702 237.223 PRESSAVG: 1726000 31.1848 -20.392 -17.2225 -20.392 -5.03156 -16.9283 -17.2225 -16.9284 31.5394 GPRESSAVG: 1726000 32.5847 -21.7762 -17.715 -19.4665 -6.7884 -17.2041 -18.0154 -17.2319 31.8941 TIMING: 1726000 CPU: 5498.57, 0.00317621/step Wall: 5498.57, 0.00317621/step, 2.88858 hours remaining, 239.488281 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: 1726000 4000.3889 20231.1420 14497.0502 254.3914 -204129.3999 2924.4790 0.0000 0.0000 51938.6689 -110283.2795 298.4922 -162221.9484 -109921.0141 298.1897 338.7837 368.5710 758938.6604 19.2309 19.2301 PRESSURE: 1726200 -100.602 -84.9505 -1.37327 -84.9512 -74.3558 223.944 -1.37474 223.945 50.4288 GPRESSURE: 1726200 4.14767 -27.1259 32.4018 -57.1368 -70.4088 237.746 14.9902 198.213 10.8265 PRESSAVG: 1726200 44.503 -1.29208 8.333 -1.29204 5.77455 35.371 8.33302 35.3708 2.86836 GPRESSAVG: 1726200 43.7079 -1.0992 7.64813 -1.73308 6.97236 35.992 8.94743 34.2285 2.0245 TIMING: 1726200 CPU: 5499.21, 0.0031827/step Wall: 5499.21, 0.0031827/step, 2.89431 hours remaining, 239.488281 MB of memory in use. ENERGY: 1726200 3938.2628 20385.2219 14513.7677 257.0540 -203564.7275 2507.5822 0.0000 0.0000 51766.7489 -110196.0899 297.5042 -161962.8388 -109841.9942 298.1349 -41.5096 -18.4782 760308.8036 17.7153 17.5682 PRESSURE: 1726400 369.287 14.1621 -215.021 14.162 346.921 -28.9737 -215.021 -28.9737 12.4137 GPRESSURE: 1726400 328.07 88.0147 -197.496 -65.5189 434.444 -11.2877 -161.337 -42.385 47.8973 PRESSAVG: 1726400 38.2577 -20.9214 2.7384 -20.9214 -51.7844 -43.8392 2.73842 -43.8391 -13.5721 GPRESSAVG: 1726400 38.032 -20.1288 5.34132 -21.6054 -52.2884 -42.559 0.460283 -42.9687 -12.8279 TIMING: 1726400 CPU: 5499.84, 0.00317403/step Wall: 5499.84, 0.00317403/step, 2.88625 hours remaining, 239.488281 MB of memory in use. ENERGY: 1726400 3904.0118 20409.8842 14485.7553 227.2430 -204035.7075 2845.7763 0.0000 0.0000 51994.5088 -110168.5281 298.8132 -162163.0369 -109808.6629 298.0770 242.8739 270.1371 759053.9227 -9.0329 -9.0281 PRESSURE: 1726600 -139.058 -63.002 -137.168 -63.0018 -230.874 -466.973 -137.168 -466.972 -439.367 GPRESSURE: 1726600 -47.5864 -38.0191 -116.621 3.09233 -215.461 -382.506 -24.4458 -437.233 -456.871 PRESSAVG: 1726600 47.865 -1.94343 -23.0044 -1.94339 -54.1025 -47.1392 -23.0044 -47.1391 -3.79889 GPRESSAVG: 1726600 48.5519 -2.5225 -24.8836 -1.11605 -54.2482 -47.4676 -20.6851 -48.0809 -4.47232 TIMING: 1726600 CPU: 5500.48, 0.00319204/step Wall: 5500.48, 0.00319204/step, 2.90245 hours remaining, 239.488281 MB of memory in use. ENERGY: 1726600 3992.6557 20459.9201 14349.5935 246.7168 -203503.3037 2405.8394 0.0000 0.0000 51743.2924 -110305.2858 297.3694 -162048.5783 -109940.9943 298.0830 -269.7663 -239.9728 760632.9783 -3.3455 -3.3895 PRESSURE: 1726800 341.233 53.279 -154.588 53.2795 -125.252 -143.129 -154.587 -143.129 -101.545 GPRESSURE: 1726800 363.018 -1.48499 -98.9919 -17.4081 -25.3399 -165.124 -83.1712 -2.94969 -137.148 PRESSAVG: 1726800 44.4006 -14.2489 -54.8345 -14.2489 -42.668 -41.3013 -54.8344 -41.3013 9.37999 GPRESSAVG: 1726800 45.0198 -12.8242 -56.0927 -12.8631 -43.5238 -41.0746 -55.0407 -40.9768 8.97074 TIMING: 1726800 CPU: 5501.12, 0.00320907/step Wall: 5501.12, 0.00320907/step, 2.91776 hours remaining, 239.488281 MB of memory in use. ENERGY: 1726800 3983.5731 20326.3444 14508.3450 253.5855 -203819.2654 2542.3014 0.0000 0.0000 52032.3536 -110172.7624 299.0307 -162205.1160 -109802.9474 298.1620 38.1457 66.8435 757579.8237 3.7042 3.4889 PRESSURE: 1727000 -359.575 76.656 66.9211 76.6561 71.3846 258.833 66.9224 258.833 -187.546 GPRESSURE: 1727000 -247.917 -25.481 94.2152 169.387 -6.42935 267.53 -46.8097 93.4454 -142.633 PRESSAVG: 1727000 49.0872 -56.2625 32.4504 -56.2625 2.83591 -43.0292 32.4503 -43.0292 7.61121 GPRESSAVG: 1727000 48.8265 -58.8143 34.513 -56.1039 2.25554 -44.5501 31.4806 -43.5356 8.19759 TIMING: 1727000 CPU: 5501.76, 0.00320422/step Wall: 5501.76, 0.00320422/step, 2.91317 hours remaining, 239.488281 MB of memory in use. ENERGY: 1727000 3910.4282 20525.6982 14364.5919 259.6651 -203250.4161 2218.6033 0.0000 0.0000 51895.8199 -110075.6094 298.2460 -161971.4293 -109722.0130 298.8009 -158.5787 -132.3264 758626.8963 19.8448 19.7599 PRESSURE: 1727200 33.19 11.573 44.9488 11.5735 125.44 24.2421 44.9487 24.2419 305.742 GPRESSURE: 1727200 84.5266 33.2296 141.053 -131.13 76.9417 -50.1812 -14.8822 -66.3388 372.788 PRESSAVG: 1727200 -13.0125 -24.6557 11.9051 -24.6557 3.54127 20.7155 11.9052 20.7156 17.649 GPRESSAVG: 1727200 -13.0229 -24.3328 9.28182 -27.5571 3.14462 21.794 13.5733 19.2096 18.1546 TIMING: 1727200 CPU: 5502.4, 0.00317102/step Wall: 5502.4, 0.00317102/step, 2.88281 hours remaining, 239.488281 MB of memory in use. ENERGY: 1727200 3964.6027 20495.8942 14517.1716 257.7193 -204114.7121 2648.3293 0.0000 0.0000 51957.8973 -110273.0977 298.6027 -162230.9950 -109915.4220 298.2941 154.7907 178.0854 756498.9024 2.7259 2.7588 PRESSURE: 1727400 152.522 40.3104 64.2392 40.3099 -307.855 -105.348 64.2387 -105.346 395.464 GPRESSURE: 1727400 226.507 77.2444 48.2424 105.892 -175.936 24.6623 -34.703 -32.773 273.637 PRESSAVG: 1727400 19.7279 19.5828 -5.35794 19.5828 -20.7044 22.1143 -5.35792 22.1144 -22.6654 GPRESSAVG: 1727400 19.7799 19.5267 -4.85127 22.7669 -19.1179 21.5762 -5.75822 23.7456 -23.7933 TIMING: 1727400 CPU: 5503.03, 0.0031791/step Wall: 5503.03, 0.0031791/step, 2.88998 hours remaining, 239.488281 MB of memory in use. ENERGY: 1727400 4046.0645 20484.6239 14372.1679 245.2806 -204202.8175 2882.4508 0.0000 0.0000 51730.4351 -110441.7947 297.2955 -162172.2298 -110083.9702 298.0334 80.0435 108.0693 758236.5339 -7.8806 -7.7104 PRESSURE: 1727600 134.441 -39.5806 -85.9747 -39.5804 19.1946 117.286 -85.9748 117.286 -435.401 GPRESSURE: 1727600 28.5701 -83.9742 -86.5953 -18.978 127.194 118.136 -108.474 14.1126 -316.809 PRESSAVG: 1727600 -3.91811 -32.179 -17.6223 -32.179 -12.1247 -5.69758 -17.6223 -5.69755 20.649 GPRESSAVG: 1727600 -6.14172 -29.7543 -14.2969 -34.3872 -10.838 -5.51375 -18.8916 -6.39114 21.5749 TIMING: 1727600 CPU: 5503.67, 0.00317923/step Wall: 5503.67, 0.00317923/step, 2.88992 hours remaining, 239.488281 MB of memory in use. ENERGY: 1727600 3997.0609 20428.0908 14480.6500 241.8240 -204002.5798 2661.3888 0.0000 0.0000 51914.2822 -110279.2831 298.3521 -162193.5653 -109925.5438 297.8206 -93.9217 -53.6818 757474.3245 1.5354 1.5317 PRESSURE: 1727800 -441.685 -53.7165 -95.4682 -53.7157 -238.565 -152.324 -95.4684 -152.326 -188.255 GPRESSURE: 1727800 -387.614 -80.7407 -46.1468 -41.3476 -225.576 -189.098 -300.422 -115.949 -166.167 PRESSAVG: 1727800 -3.29521 -32.3813 -25.012 -32.3813 68.411 20.8458 -25.012 20.8458 -12.6205 GPRESSAVG: 1727800 -2.13369 -33.8914 -25.9084 -31.2975 67.5495 21.0737 -24.9172 18.9762 -12.6968 TIMING: 1727800 CPU: 5504.3, 0.00317182/step Wall: 5504.3, 0.00317182/step, 2.88301 hours remaining, 239.488281 MB of memory in use. ENERGY: 1727800 3931.9712 20557.5250 14452.9544 248.3652 -203216.9795 1851.7517 0.0000 0.0000 51955.0727 -110219.3393 298.5865 -162174.4120 -109869.7131 298.1406 -289.5016 -259.7858 760362.5552 17.4984 17.5730 PRESSURE: 1728000 -93.694 39.7222 -18.0906 39.7231 80.1433 -87.1602 -18.0899 -87.1601 278.638 GPRESSURE: 1728000 -5.85584 -3.50167 -35.0577 -38.7995 71.5139 -174.207 90.8532 -85.5728 290.93 PRESSAVG: 1728000 34.4012 -64.5389 -1.5237 -64.5388 2.43422 -45.2368 -1.52367 -45.237 19.3361 GPRESSAVG: 1728000 35.4219 -65.8121 -2.47583 -62.4795 2.43286 -45.298 -1.68334 -43.3357 18.2094 TIMING: 1728000 CPU: 5504.94, 0.00320089/step Wall: 5504.94, 0.00320089/step, 2.90926 hours remaining, 239.488281 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: 1728000 3982.3395 20466.1759 14467.6531 257.7600 -204009.7758 2685.2106 0.0000 0.0000 51732.8563 -110417.7804 297.3094 -162150.6367 -110064.2830 297.6268 88.3625 118.8628 757843.9809 18.7238 18.6881 PRESSURE: 1728200 201.154 -83.2888 233.218 -83.2892 37.9121 -233.249 233.218 -233.249 -49.7054 GPRESSURE: 1728200 117.949 -38.6401 268.923 -119.069 179.204 -173.332 237.154 -204.754 -40.0564 PRESSAVG: 1728200 43.3544 -69.7775 -11.3572 -69.7774 -11.5054 -10.4515 -11.3572 -10.4516 19.3645 GPRESSAVG: 1728200 41.6593 -67.7682 -11.7902 -71.3345 -10.7421 -9.86602 -10.6438 -10.1349 20.1936 TIMING: 1728200 CPU: 5505.58, 0.00317776/step Wall: 5505.58, 0.00317776/step, 2.88805 hours remaining, 239.488281 MB of memory in use. ENERGY: 1728200 3946.6698 20297.4755 14411.7487 245.6584 -203762.2159 2606.4408 0.0000 0.0000 52067.0072 -110187.2155 299.2298 -162254.2227 -109820.4514 298.1995 63.1202 85.6987 760688.5047 17.0712 17.0369 LDB: ============= START OF LOAD BALANCING ============== 5518.03 LDB: ============== END OF LOAD BALANCING =============== 5518.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5518.03 LDB: ============= START OF LOAD BALANCING ============== 5518.35 LDB: Largest compute 7060 load 0.037682 is 19.3% of average load 0.195094 LDB: Average compute 0.004438 is 2.3% of average load 0.195094 LDB: TIME 5518.35 LOAD: AVG 0.195094 MAX 0.212533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.734 MB LDB: TIME 5518.36 LOAD: AVG 0.195094 MAX 0.212533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.734 MB LDB: TIME 5518.36 LOAD: AVG 0.195094 MAX 0.212533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.734 MB LDB: ============== END OF LOAD BALANCING =============== 5518.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5518.36 PRESSURE: 1728400 -99.0028 97.1604 18.7626 97.1606 -24.8798 -249.164 18.7626 -249.164 -287.141 GPRESSURE: 1728400 -91.9728 14.1955 58.9764 190.362 -66.0307 -205.728 -26.3865 -343.602 -181.516 PRESSAVG: 1728400 -40.8755 -23.3904 23.8168 -23.3903 20.3441 -5.33598 23.8167 -5.33589 12.7141 GPRESSAVG: 1728400 -39.7848 -23.6315 23.4311 -24.1754 19.8422 -7.22468 23.139 -4.4255 12.108 TIMING: 1728400 CPU: 5506.23, 0.00324193/step Wall: 5506.23, 0.00324193/step, 2.94619 hours remaining, 240.769531 MB of memory in use. ENERGY: 1728400 3994.5677 20439.4261 14549.1732 257.6193 -204031.4016 2735.4087 0.0000 0.0000 51992.6132 -110062.5934 298.8023 -162055.2066 -109697.7432 298.4019 -137.0078 -113.1732 763240.6785 -2.6058 -2.6115 PRESSURE: 1728600 -9.44114 -56.8429 57.5921 -56.843 -94.6193 261.864 57.5926 261.864 235.756 GPRESSURE: 1728600 4.23059 67.2293 18.4661 -124.407 51.9014 200.666 114.304 213.439 164.224 PRESSAVG: 1728600 -34.1859 -38.9898 27.6405 -38.9899 62.6639 13.0265 27.6405 13.0265 7.89259 GPRESSAVG: 1728600 -33.5032 -38.8794 28.8665 -38.3166 62.472 13.2324 28.4367 12.0553 7.18738 TIMING: 1728600 CPU: 5506.86, 0.00317587/step Wall: 5506.86, 0.00317587/step, 2.88598 hours remaining, 240.769531 MB of memory in use. ENERGY: 1728600 4020.3768 20467.8861 14456.9375 253.3827 -203716.4751 2644.2980 0.0000 0.0000 51955.5287 -109918.0653 298.5891 -161873.5940 -109568.8523 298.8832 43.8987 73.4520 759995.5834 12.1235 12.0521 PRESSURE: 1728800 125.366 -90.2113 -128.881 -90.2107 172.256 40.0406 -128.881 40.0408 -235.917 GPRESSURE: 1728800 182.335 -146.044 -72.116 -53.3576 131.71 27.0993 -12.0412 65.2782 -155.61 PRESSAVG: 1728800 16.7722 -11.1544 -4.18332 -11.1544 7.75616 48.6785 -4.18332 48.6786 26.2598 GPRESSAVG: 1728800 17.3895 -9.56788 -5.0322 -12.2455 6.31218 48.8521 -4.64112 47.9832 26.7276 TIMING: 1728800 CPU: 5507.5, 0.00320173/step Wall: 5507.5, 0.00320173/step, 2.9093 hours remaining, 240.769531 MB of memory in use. ENERGY: 1728800 3944.6914 20535.1013 14365.5062 244.3352 -203819.1618 2771.9344 0.0000 0.0000 52091.5032 -109866.0901 299.3706 -161957.5932 -109512.5174 299.0187 20.5680 52.8117 761088.6889 16.9294 16.8098 PRESSURE: 1729000 -482.166 -206.156 310.258 -206.155 -125.028 280.157 310.258 280.157 43.1374 GPRESSURE: 1729000 -424.548 -303.353 226.851 -135.435 -147.731 172.815 139.965 277.429 93.1322 PRESSAVG: 1729000 39.6728 9.51199 -19.9755 9.512 -65.2327 -25.6372 -19.9755 -25.6372 1.13073 GPRESSAVG: 1729000 39.7363 6.88126 -19.0047 10.4276 -64.785 -24.745 -19.6379 -24.0222 0.815439 TIMING: 1729000 CPU: 5508.14, 0.00319078/step Wall: 5508.14, 0.00319078/step, 2.89918 hours remaining, 240.769531 MB of memory in use. ENERGY: 1729000 4016.3422 20593.4434 14509.4847 238.9730 -203721.6471 2617.0257 0.0000 0.0000 51888.7578 -109857.6203 298.2054 -161746.3782 -109502.2657 298.4832 -188.0191 -159.7156 762354.0222 -8.1431 -8.0778 PRESSURE: 1729200 -72.1402 44.1526 185.573 44.1534 201.575 -166.417 185.573 -166.418 -194.063 GPRESSURE: 1729200 -63.2808 34.7112 122.304 -13.196 270.269 -226.381 49.2605 -131.731 -183.201 PRESSAVG: 1729200 -6.32713 -61.7065 54.3444 -61.7065 17.7224 -16.6233 54.3444 -16.6234 8.48121 GPRESSAVG: 1729200 -7.62482 -62.2473 54.5095 -63.1929 19.3428 -17.2209 54.5655 -16.9361 9.0673 TIMING: 1729200 CPU: 5508.78, 0.00320251/step Wall: 5508.78, 0.00320251/step, 2.90966 hours remaining, 240.769531 MB of memory in use. ENERGY: 1729200 4055.0882 20422.2849 14475.6640 235.2838 -203761.2357 2892.5458 0.0000 0.0000 52039.3858 -109640.9831 299.0711 -161680.3690 -109291.8038 298.6608 -21.5427 7.9291 760646.4339 6.6255 6.9284 PRESSURE: 1729400 8.49261 -36.3969 -46.3699 -36.3966 324.837 -47.2141 -46.3699 -47.2145 -281.872 GPRESSURE: 1729400 8.58021 39.5464 -52.8482 -10.5706 340.614 -88.0667 -40.249 22.5609 -221.981 PRESSAVG: 1729400 -47.8274 -20.056 18.2745 -20.0561 56.7854 -34.5065 18.2745 -34.5064 -11.912 GPRESSAVG: 1729400 -47.3625 -18.8414 17.7638 -18.6438 56.5864 -34.1885 16.8578 -33.4667 -12.1848 TIMING: 1729400 CPU: 5509.42, 0.00320234/step Wall: 5509.42, 0.00320234/step, 2.90932 hours remaining, 240.769531 MB of memory in use. ENERGY: 1729400 3994.5343 20479.4204 14499.3760 239.0408 -203781.4335 2806.7405 0.0000 0.0000 52193.5631 -109568.7584 299.9571 -161762.3214 -109215.2979 299.0723 17.1524 42.4044 762133.7847 -0.9847 -0.9870 PRESSURE: 1729600 194.57 -44.2104 -218.601 -44.2107 156.655 43.3274 -218.601 43.3279 -219.265 GPRESSURE: 1729600 245.152 9.86998 -193.143 1.86671 127.836 75.0259 -272.884 -14.8629 -149.348 PRESSAVG: 1729600 2.48592 -71.3968 0.754093 -71.3967 -4.20464 -9.85921 0.754154 -9.85925 -7.62985 GPRESSAVG: 1729600 2.1867 -72.6194 0.552502 -71.0301 -4.3808 -9.26371 2.12643 -11.4264 -7.72845 TIMING: 1729600 CPU: 5510.06, 0.00319844/step Wall: 5510.06, 0.00319844/step, 2.9056 hours remaining, 240.769531 MB of memory in use. ENERGY: 1729600 4095.7521 20453.6139 14532.3556 230.7494 -203440.6195 2514.2752 0.0000 0.0000 51960.5737 -109653.2996 298.6181 -161613.8732 -109286.9593 299.2965 43.9867 74.5463 759105.7227 -3.1162 -3.3075 PRESSURE: 1729800 -363.421 -3.92627 36.0237 -3.92509 -89.425 -122.914 36.0244 -122.915 -570.884 GPRESSURE: 1729800 -237.571 44.3622 5.00853 -5.10721 -179.547 -143.388 44.13 -68.2731 -504.766 PRESSAVG: 1729800 -31.9223 6.91788 -8.28418 6.91792 -0.343571 -31.9248 -8.28411 -31.9248 6.5984 GPRESSAVG: 1729800 -31.405 6.28235 -7.14431 7.57394 -0.334274 -33.2521 -9.60883 -32.2249 5.97762 TIMING: 1729800 CPU: 5510.7, 0.00318629/step Wall: 5510.7, 0.00318629/step, 2.89439 hours remaining, 240.769531 MB of memory in use. ENERGY: 1729800 4107.3146 20520.6435 14434.0759 227.8914 -203538.7302 2526.7508 0.0000 0.0000 52083.8244 -109638.2296 299.3265 -161722.0541 -109271.3796 298.9817 -341.2435 -307.2946 761182.1101 -8.5558 -8.5872 PRESSURE: 1730000 -16.7579 98.4939 -38.0277 98.4929 -154.37 20.6812 -38.0282 20.6804 -416.485 GPRESSURE: 1730000 0.337509 38.9411 -99.0039 5.38192 -171.683 7.2102 36.6215 -30.1532 -345.062 PRESSAVG: 1730000 -8.37183 6.65304 -14.7407 6.65314 4.04998 -20.2719 -14.7407 -20.2719 -20.4749 GPRESSAVG: 1730000 -7.63122 8.47131 -14.6317 4.1828 3.07106 -19.6572 -13.4431 -21.007 -20.0597 TIMING: 1730000 CPU: 5511.34, 0.0031981/step Wall: 5511.34, 0.0031981/step, 2.90494 hours remaining, 240.769531 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: 1730000 3957.1124 20592.5221 14409.1156 243.9973 -203493.2477 2406.2925 0.0000 0.0000 52163.5034 -109720.7043 299.7844 -161884.2078 -109367.0613 299.3273 -195.8709 -172.1359 761525.9041 -8.2656 -8.2066 PRESSURE: 1730200 119.357 -154.251 207.907 -154.251 -107.009 -112.011 207.907 -112.013 85.3093 GPRESSURE: 1730200 145.418 -128.851 116.419 -81.3526 -48.3516 -106.68 219.2 -22.5396 76.9494 PRESSAVG: 1730200 43.1508 -2.758 6.87798 -2.75797 -40.2269 -58.249 6.87794 -58.249 29.7353 GPRESSAVG: 1730200 41.9154 -2.5486 5.25872 -2.19426 -38.2524 -57.3056 5.87591 -56.7827 29.0995 TIMING: 1730200 CPU: 5511.98, 0.00321558/step Wall: 5511.98, 0.00321558/step, 2.92064 hours remaining, 240.769531 MB of memory in use. ENERGY: 1730200 3931.7835 20459.7898 14496.5256 231.3442 -203488.5645 2432.9239 0.0000 0.0000 52126.8708 -109809.3267 299.5738 -161936.1975 -109444.2302 298.8966 32.5524 58.0052 759958.8955 10.8864 10.9208 PRESSURE: 1730400 -571.79 -204.11 -35.488 -204.109 200.527 -41.127 -35.4877 -41.1276 74.9891 GPRESSURE: 1730400 -352.563 -278.427 -17.7274 -133.407 119.782 9.52089 -107.745 -88.1938 23.8179 PRESSAVG: 1730400 -19.028 -71.6139 25.599 -71.6138 -10.0901 -8.40161 25.5989 -8.40164 -2.62464 GPRESSAVG: 1730400 -17.2423 -71.852 24.7458 -71.9921 -12.4662 -9.92442 26.7026 -7.6201 -2.44286 TIMING: 1730400 CPU: 5512.62, 0.00321037/step Wall: 5512.62, 0.00321037/step, 2.91573 hours remaining, 240.769531 MB of memory in use. ENERGY: 1730400 4009.4534 20686.8651 14420.3266 241.7552 -203665.8651 2715.9313 0.0000 0.0000 51990.0633 -109601.4702 298.7876 -161591.5335 -109251.5516 299.2988 -98.7582 -69.6543 759785.4463 -10.5809 -10.7171 PRESSURE: 1730600 -167.494 33.6773 41.2433 33.6766 -101.403 127.378 41.2426 127.378 79.772 GPRESSURE: 1730600 -197.975 87.5678 -12.9665 62.2919 -13.5676 139.933 -14.7583 72.6006 108.423 PRESSAVG: 1730600 36.9047 17.2291 -38.9683 17.2291 -6.14743 -14.753 -38.9683 -14.753 16.7377 GPRESSAVG: 1730600 35.3759 16.6272 -37.6095 20.6815 -3.99808 -13.7607 -39.6943 -16.4307 16.4515 TIMING: 1730600 CPU: 5513.26, 0.00319481/step Wall: 5513.26, 0.00319481/step, 2.90142 hours remaining, 240.769531 MB of memory in use. ENERGY: 1730600 3986.7647 20512.5002 14449.8398 227.2237 -203256.2794 2494.0116 0.0000 0.0000 51984.7391 -109601.2003 298.7570 -161585.9394 -109238.1325 299.3367 -63.0415 -34.3732 759863.5388 15.8316 15.9431 PRESSURE: 1730800 -4.98042 -191.923 109.781 -191.922 13.2528 -219.719 109.781 -219.72 -56.7696 GPRESSURE: 1730800 15.407 -229.6 42.5092 -213.946 45.176 -79.0384 28.525 -233.615 -40.5673 PRESSAVG: 1730800 84.5431 -5.50889 -18.1096 -5.50888 -35.5484 12.3812 -18.1097 12.3812 -2.02631 GPRESSAVG: 1730800 84.1038 -5.26748 -17.8056 -7.58994 -35.5894 12.0715 -18.9235 13.9447 -1.26389 TIMING: 1730800 CPU: 5513.9, 0.00318221/step Wall: 5513.9, 0.00318221/step, 2.8898 hours remaining, 240.769531 MB of memory in use. ENERGY: 1730800 4037.2436 20571.0492 14551.9543 249.8919 -203619.8480 2465.1126 0.0000 0.0000 52187.8111 -109556.7854 299.9241 -161744.5965 -109199.7166 299.4493 -16.1658 6.6719 760319.9715 15.6561 15.7502 PRESSURE: 1731000 -376.364 0.0474178 107.826 0.0476891 -35.7522 19.2424 107.826 19.2423 98.1463 GPRESSURE: 1731000 -197.302 1.20636 190.792 -89.8238 -48.7044 -35.9447 107.001 105.729 33.24 PRESSAVG: 1731000 14.8394 13.193 -21.8602 13.193 1.91055 -31.2128 -21.8603 -31.2128 16.0367 GPRESSAVG: 1731000 15.318 12.125 -24.061 12.8071 0.819811 -32.7646 -20.8707 -29.0371 16.5435 TIMING: 1731000 CPU: 5514.53, 0.00317587/step Wall: 5514.53, 0.00317587/step, 2.88386 hours remaining, 240.769531 MB of memory in use. ENERGY: 1731000 3987.5090 20489.5081 14503.2014 239.3156 -203482.3183 2502.4016 0.0000 0.0000 52174.8986 -109585.4839 299.8499 -161760.3825 -109207.9382 299.6055 -104.6567 -70.9222 758829.2831 10.9289 10.8938 PRESSURE: 1731200 -377.894 245.664 125.228 245.664 -265.89 -111.175 125.228 -111.175 27.3892 GPRESSURE: 1731200 -331.339 120.152 102.91 193.806 -270.544 -94.9037 82.9236 -31.8555 71.0402 PRESSAVG: 1731200 -18.1732 26.1948 -2.27962 26.1948 43.9382 -40.9 -2.27953 -40.9001 -7.6804 GPRESSAVG: 1731200 -16.778 28.7483 -0.330289 25.4695 44.0229 -39.3658 -2.38655 -42.5564 -9.27611 TIMING: 1731200 CPU: 5515.17, 0.00317391/step Wall: 5515.17, 0.00317391/step, 2.88191 hours remaining, 240.769531 MB of memory in use. ENERGY: 1731200 4045.0971 20564.7926 14448.3113 234.1663 -203059.0801 2095.2909 0.0000 0.0000 52067.2101 -109604.2117 299.2310 -161671.4219 -109243.2304 299.5687 -205.4650 -176.9474 760859.2769 6.0282 5.9896 PRESSURE: 1731400 -319.451 5.56554 97.8283 5.56566 -283.96 -101.259 97.8279 -101.259 -428.206 GPRESSURE: 1731400 -290.156 22.512 8.79472 133.409 -251.106 -134.023 171.023 -78.8934 -420.741 PRESSAVG: 1731400 30.7907 26.9778 -16.107 26.9778 20.6121 -21.2997 -16.107 -21.2997 14.0695 GPRESSAVG: 1731400 29.2712 25.2603 -17.7992 27.4389 20.7128 -22.2964 -16.35 -23.3565 15.8561 TIMING: 1731400 CPU: 5515.81, 0.00318465/step Wall: 5515.81, 0.00318465/step, 2.89148 hours remaining, 240.769531 MB of memory in use. ENERGY: 1731400 3991.1339 20460.8686 14458.0418 242.7824 -203238.1658 2366.2382 0.0000 0.0000 51920.5227 -109798.5782 298.3880 -161719.1009 -109447.9482 298.7971 -343.8723 -320.6677 762176.8159 21.8241 21.9467 PRESSURE: 1731600 58.9927 -274.313 125.096 -274.312 -34.3388 -91.0246 125.097 -91.0263 156.366 GPRESSURE: 1731600 -1.97891 -271.939 165.862 -177.722 102.456 16.6134 114.733 -20.5997 181.567 PRESSAVG: 1731600 -34.5893 -3.79405 46.3661 -3.79404 6.39975 -65.937 46.3661 -65.937 -6.19754 GPRESSAVG: 1731600 -35.2189 -3.91523 49.5578 -3.16855 8.09961 -65.7767 46.3986 -62.9689 -7.20226 TIMING: 1731600 CPU: 5516.44, 0.00318547/step Wall: 5516.44, 0.00318547/step, 2.89205 hours remaining, 240.769531 MB of memory in use. ENERGY: 1731600 3998.3599 20558.1101 14364.3086 254.6659 -203600.6126 2637.2632 0.0000 0.0000 51855.1003 -109932.8047 298.0120 -161787.9050 -109579.2959 298.7143 60.3400 94.0147 760898.8640 -11.4624 -11.4405 PRESSURE: 1731800 -314.338 108.047 147.793 108.046 78.2925 43.3815 147.793 43.3817 257.895 GPRESSURE: 1731800 -243.272 -0.569785 143.467 212.819 21.805 38.7298 134.957 -87.9947 323.925 PRESSAVG: 1731800 -30.4825 15.6921 -60.4157 15.6921 40.0618 -23.2198 -60.4156 -23.2198 13.6763 GPRESSAVG: 1731800 -28.6099 13.8498 -63.3759 15.2648 38.8067 -22.1409 -59.1638 -25.7541 13.2823 TIMING: 1731800 CPU: 5517.08, 0.00317955/step Wall: 5517.08, 0.00317955/step, 2.88651 hours remaining, 240.769531 MB of memory in use. ENERGY: 1731800 4004.3097 20714.0348 14439.1404 229.5062 -203621.2353 2554.5988 0.0000 0.0000 52033.0364 -109646.6090 299.0346 -161679.6454 -109293.7239 299.1247 7.2833 34.1528 760081.0741 7.7519 7.8264 PRESSURE: 1732000 -79.6519 -205.712 112.793 -205.713 247.376 101.692 112.793 101.691 -219.5 GPRESSURE: 1732000 17.4433 -103.281 18.618 -94.3488 286.263 191.414 65.9245 93.7843 -260.735 PRESSAVG: 1732000 -36.0904 25.2068 -8.30146 25.2068 37.496 -60.3516 -8.30144 -60.3516 6.24351 GPRESSAVG: 1732000 -36.7876 27.2546 -7.2636 25.9053 37.4843 -60.3304 -10.303 -59.0638 6.57278 TIMING: 1732000 CPU: 5517.71, 0.00317206/step Wall: 5517.71, 0.00317206/step, 2.87952 hours remaining, 240.769531 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: 1732000 3980.0630 20453.2817 14427.7611 216.1064 -203455.7764 2462.0617 0.0000 0.0000 52346.3954 -109570.1071 300.8355 -161916.5025 -109202.5504 299.1626 -17.2584 14.3239 759654.1554 2.5497 2.4232 PRESSURE: 1732200 27.579 159.283 -119.477 159.283 -203.93 -75.0771 -119.477 -75.0784 -300.263 GPRESSURE: 1732200 67.9658 48.1875 -90.7175 106.087 -243.372 -3.72323 -81.948 -102.778 -227.892 PRESSAVG: 1732200 17.5327 -5.9388 -26.4183 -5.93878 29.4678 24.5114 -26.4183 24.5114 -12.8523 GPRESSAVG: 1732200 16.7337 -7.05583 -26.2012 -6.05598 29.6233 25.076 -26.3865 25.558 -12.3919 TIMING: 1732200 CPU: 5518.35, 0.00316946/step Wall: 5518.35, 0.00316946/step, 2.87699 hours remaining, 240.769531 MB of memory in use. ENERGY: 1732200 3963.5587 20685.9637 14504.0024 250.1760 -203185.9653 2431.8046 0.0000 0.0000 51822.8089 -109527.6510 297.8264 -161350.4600 -109160.0452 299.4714 -158.8713 -134.4330 760255.2121 11.3828 11.3217 LDB: ============= START OF LOAD BALANCING ============== 5530.8 LDB: ============== END OF LOAD BALANCING =============== 5530.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5530.8 LDB: ============= START OF LOAD BALANCING ============== 5531.12 LDB: Largest compute 7060 load 0.039824 is 20.4% of average load 0.195147 LDB: Average compute 0.004423 is 2.3% of average load 0.195147 LDB: TIME 5531.12 LOAD: AVG 0.195147 MAX 0.212154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.828 MB LDB: TIME 5531.12 LOAD: AVG 0.195147 MAX 0.212154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: TIME 5531.12 LOAD: AVG 0.195147 MAX 0.212154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: ============== END OF LOAD BALANCING =============== 5531.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5531.13 PRESSURE: 1732400 -238.405 0.4018 -90.2562 0.402011 -466.923 50.7643 -90.2554 50.7652 -292.908 GPRESSURE: 1732400 -319.095 -109.383 -36.4867 -39.3913 -405.322 46.5689 -78.429 0.454014 -187.544 PRESSAVG: 1732400 15.2401 24.7198 -7.91335 24.7199 -12.1435 33.0747 -7.9134 33.0748 11.8095 GPRESSAVG: 1732400 16.6868 24.2879 -8.80969 24.0339 -13.967 32.2905 -8.24297 33.7474 12.0381 TIMING: 1732400 CPU: 5518.99, 0.00324038/step Wall: 5518.99, 0.00324038/step, 2.94118 hours remaining, 242.109375 MB of memory in use. ENERGY: 1732400 3958.1112 20490.9621 14431.2834 243.2242 -203184.3853 2335.4206 0.0000 0.0000 52185.5795 -109539.8043 299.9112 -161725.3837 -109173.1592 299.6964 -332.7456 -303.9870 760368.0062 4.9687 4.9193 PRESSURE: 1732600 -217.517 -204.279 -78.1844 -204.28 -93.88 -11.1761 -78.1836 -11.1767 307.04 GPRESSURE: 1732600 -117.647 -100.218 -23.1872 -181.917 -74.9042 87.6112 -5.29974 -89.9182 289.068 PRESSAVG: 1732600 -1.47319 -8.60971 -32.5093 -8.60981 -22.2448 -36.1992 -32.5093 -36.1993 -32.2958 GPRESSAVG: 1732600 -2.8913 -7.48257 -31.914 -6.69812 -19.848 -35.9487 -30.8164 -37.1395 -32.7519 TIMING: 1732600 CPU: 5519.63, 0.00315972/step Wall: 5519.63, 0.00315972/step, 2.8678 hours remaining, 242.109375 MB of memory in use. ENERGY: 1732600 4071.2381 20503.5492 14474.2002 255.9685 -203487.2650 2433.6504 0.0000 0.0000 52159.0450 -109589.6136 299.7587 -161748.6587 -109232.4262 298.9755 -1.4524 32.1723 759963.5535 -18.6713 -18.4970 PRESSURE: 1732800 -187.778 -118.029 -55.6394 -118.029 6.99947 141.409 -55.6391 141.41 -205.52 GPRESSURE: 1732800 -212.475 -59.665 -85.2856 -106.493 69.1247 121.566 -122.379 94.2161 -165.367 PRESSAVG: 1732800 4.37404 -32.9492 -14.0723 -32.9493 -1.73349 7.3355 -14.0723 7.33557 18.2076 GPRESSAVG: 1732800 5.03165 -31.3187 -14.2394 -35.7443 -1.7601 7.68963 -15.7712 4.34816 18.1912 TIMING: 1732800 CPU: 5520.26, 0.00315476/step Wall: 5520.26, 0.00315476/step, 2.86312 hours remaining, 242.109375 MB of memory in use. ENERGY: 1732800 3998.3968 20542.7045 14444.5967 249.2422 -203290.8975 2457.9185 0.0000 0.0000 52267.8313 -109330.2075 300.3839 -161598.0387 -108962.3731 299.9689 -128.7662 -102.9057 759612.9550 6.9494 7.1542 PRESSURE: 1733000 19.2664 63.6704 -29.7499 63.6699 58.8128 55.4291 -29.7494 55.4288 133.708 GPRESSURE: 1733000 -14.3864 28.4527 26.7294 -84.1435 109.089 19.7444 13.294 17.9004 192.503 PRESSAVG: 1733000 34.3368 -26.8136 -44.5592 -26.8136 -39.4262 23.5505 -44.5592 23.5504 -1.11997 GPRESSAVG: 1733000 33.4846 -25.5739 -44.6595 -26.3188 -39.1953 23.6621 -45.0346 27.3771 -0.684871 TIMING: 1733000 CPU: 5520.9, 0.00320903/step Wall: 5520.9, 0.00320903/step, 2.91219 hours remaining, 242.109375 MB of memory in use. ENERGY: 1733000 3983.4958 20515.1769 14516.6503 243.7628 -203422.0426 2534.3301 0.0000 0.0000 52334.3243 -109294.3025 300.7661 -161628.6269 -108927.5479 299.9996 70.5957 95.7351 761169.9757 -2.0698 -2.1319 PRESSURE: 1733200 32.3195 101.339 -261.439 101.339 41.5603 -103.608 -261.439 -103.608 -44.0548 GPRESSURE: 1733200 51.4723 127.89 -310.989 -5.11949 50.6628 -63.1032 -293.032 -231.558 23.5537 PRESSAVG: 1733200 -3.23581 -21.5179 -28.1435 -21.5179 13.363 -56.7091 -28.1435 -56.709 20.4496 GPRESSAVG: 1733200 -2.86882 -24.23 -29.1896 -20.7208 13.1421 -58.3153 -26.9277 -58.7738 20.6464 TIMING: 1733200 CPU: 5521.54, 0.00318745/step Wall: 5521.54, 0.00318746/step, 2.89244 hours remaining, 242.109375 MB of memory in use. ENERGY: 1733200 3976.4876 20492.4661 14461.5294 243.7623 -203377.8107 2654.8435 0.0000 0.0000 52323.6108 -109225.1110 300.7045 -161548.7218 -108867.6485 300.0828 9.9417 41.8962 760658.6247 10.1923 10.3066 PRESSURE: 1733400 2.09522 -35.6123 39.8192 -35.6127 119.341 79.6678 39.8204 79.6681 19.1246 GPRESSURE: 1733400 107.385 35.9142 87.4008 -11.5817 116.581 120.692 -131.957 -109.824 -12.242 PRESSAVG: 1733400 -5.32965 3.4316 -30.2374 3.43155 30.7232 -69.2413 -30.2373 -69.2412 -20.1681 GPRESSAVG: 1733400 -4.18467 2.99418 -27.6538 3.7351 29.2394 -68.6256 -29.4151 -69.0364 -20.3328 TIMING: 1733400 CPU: 5522.18, 0.00319824/step Wall: 5522.18, 0.00319824/step, 2.90205 hours remaining, 242.109375 MB of memory in use. ENERGY: 1733400 4006.2433 20659.8378 14454.4890 248.5537 -203044.7734 2459.7543 0.0000 0.0000 52040.6624 -109175.2329 299.0784 -161215.8953 -108819.4430 300.1679 46.8536 70.5746 761238.9128 1.7418 1.5740 PRESSURE: 1733600 16.9121 131.129 -67.9298 131.129 -247.231 11.1455 -67.9308 11.1463 -221.387 GPRESSURE: 1733600 79.4398 50.5786 -11.2381 176.008 -198.787 10.5928 -75.858 -41.0093 -250.277 PRESSAVG: 1733600 39.838 -26.3248 -9.36635 -26.3248 -9.55859 20.7866 -9.36637 20.7866 -12.4015 GPRESSAVG: 1733600 38.783 -26.0329 -12.2986 -26.1913 -8.20524 21.3805 -9.10214 20.4914 -12.3932 TIMING: 1733600 CPU: 5522.82, 0.00319866/step Wall: 5522.82, 0.00319866/step, 2.90225 hours remaining, 242.109375 MB of memory in use. ENERGY: 1733600 4006.7404 20659.9282 14433.0867 275.5216 -203333.6105 2464.6984 0.0000 0.0000 52153.9979 -109339.6372 299.7297 -161493.6351 -108990.9369 300.1865 -150.5686 -123.2081 759002.8132 5.9593 6.0615 PRESSURE: 1733800 -132.971 94.0721 -74.2771 94.0722 62.2601 49.0804 -74.2771 49.0807 -47.0283 GPRESSURE: 1733800 -71.1616 30.7645 -64.2168 55.6247 -15.5362 -15.2482 -57.7372 53.9146 29.4396 PRESSAVG: 1733800 2.66198 -6.39142 -13.834 -6.39144 -24.9719 5.20538 -13.8339 5.20532 -7.64938 GPRESSAVG: 1733800 3.49248 -7.86245 -10.8434 -6.10255 -25.1036 5.74416 -15.8049 4.32525 -7.61928 TIMING: 1733800 CPU: 5523.45, 0.00318651/step Wall: 5523.45, 0.00318651/step, 2.89105 hours remaining, 242.109375 MB of memory in use. ENERGY: 1733800 4018.5164 20674.2423 14448.0891 253.5908 -203148.6865 2375.2544 0.0000 0.0000 52053.8758 -109325.1177 299.1543 -161378.9935 -108970.2133 299.9694 -39.2465 -19.0861 761851.5167 -9.9864 -9.7435 PRESSURE: 1734000 142.93 46.3399 5.251 46.3402 -8.42554 -43.7967 5.25111 -43.7966 304.991 GPRESSURE: 1734000 104.293 28.6758 43.2897 81.3643 76.8563 -0.132834 -17.888 -76.8742 318.816 PRESSAVG: 1734000 -2.43627 10.1653 -25.2166 10.1653 4.12666 14.7922 -25.2166 14.7922 4.01981 GPRESSAVG: 1734000 -2.22795 12.4824 -26.0516 8.44859 4.0187 14.8291 -23.1419 15.4714 4.19213 TIMING: 1734000 CPU: 5524.09, 0.00319124/step Wall: 5524.09, 0.00319124/step, 2.89516 hours remaining, 242.109375 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: 1734000 3990.6562 20693.1873 14423.9181 245.0992 -203043.3685 2326.0405 0.0000 0.0000 52008.9167 -109355.5505 298.8960 -161364.4672 -108993.7598 299.8418 146.4985 166.6551 759947.6728 1.9034 1.9943 PRESSURE: 1734200 81.1536 -88.1421 -91.1356 -88.142 -14.1597 -8.90471 -91.1352 -8.90558 -90.8339 GPRESSURE: 1734200 92.0082 32.1749 -86.6751 -85.9089 93.5539 77.5587 -23.6261 -1.01435 -139.652 PRESSAVG: 1734200 -3.76225 -16.7949 20.3347 -16.7948 50.7995 -0.525213 20.3347 -0.525246 -6.80729 GPRESSAVG: 1734200 -4.14016 -17.9996 20.1635 -15.3653 51.4279 -1.06126 20.8141 0.678278 -7.22457 TIMING: 1734200 CPU: 5524.73, 0.00317344/step Wall: 5524.73, 0.00317344/step, 2.87884 hours remaining, 242.109375 MB of memory in use. ENERGY: 1734200 4026.5014 20596.5675 14463.2714 232.6901 -203259.7497 2436.1977 0.0000 0.0000 52020.4616 -109484.0600 298.9623 -161504.5216 -109130.2617 299.8328 -7.9467 15.3033 759330.1145 13.4100 13.3544 PRESSURE: 1734400 71.2444 15.4627 2.78414 15.4627 -165.714 -70.0264 2.78437 -70.0283 76.1048 GPRESSURE: 1734400 123.608 101.555 128.458 42.2506 -96.4987 23.6314 12.4124 -203.037 52.8137 PRESSAVG: 1734400 3.22771 -32.978 -7.28265 -32.978 28.211 -1.64722 -7.28261 -1.64717 -6.91365 GPRESSAVG: 1734400 2.69373 -30.8151 -7.48808 -34.127 28.6041 -0.495055 -8.18477 -3.40682 -6.30127 TIMING: 1734400 CPU: 5525.36, 0.00318145/step Wall: 5525.36, 0.00318145/step, 2.88593 hours remaining, 242.109375 MB of memory in use. ENERGY: 1734400 3981.7326 20486.8085 14496.4384 239.2394 -203186.9681 2560.6820 0.0000 0.0000 51881.9111 -109540.1561 298.1661 -161422.0672 -109182.4002 299.6478 -6.1215 26.6409 761061.1283 8.1750 8.3322 PRESSURE: 1734600 -49.8251 -148.762 -45.5478 -148.761 274.106 44.709 -45.5476 44.7079 445.432 GPRESSURE: 1734600 106.435 -137.533 -41.7978 -90.9521 302.968 59.0571 -156.675 76.3712 360.88 PRESSAVG: 1734600 15.26 -40.0426 -25.0119 -40.0426 9.38518 -37.082 -25.0118 -37.082 -3.07417 GPRESSAVG: 1734600 15.3644 -40.2738 -25.5981 -38.0975 8.95004 -37.2873 -25.4838 -37.95 -2.717 TIMING: 1734600 CPU: 5526, 0.00317422/step Wall: 5526, 0.00317422/step, 2.8792 hours remaining, 242.109375 MB of memory in use. ENERGY: 1734600 3958.7584 20459.1527 14559.0280 245.1529 -203266.4982 2309.9263 0.0000 0.0000 52236.8535 -109497.6263 300.2059 -161734.4799 -109133.6887 299.3777 223.2375 256.7612 760008.5810 7.1903 7.1991 PRESSURE: 1734800 90.6658 -289.529 -131.645 -289.53 379.774 -41.6418 -131.645 -41.6417 224.502 GPRESSURE: 1734800 215.494 -233.883 -87.0992 -226.671 391.863 51.1427 -129.216 23.548 183.524 PRESSAVG: 1734800 -16.4987 -50.8097 20.3149 -50.8097 20.2526 5.85228 20.315 5.85234 -20.1442 GPRESSAVG: 1734800 -16.4795 -51.9729 21.8767 -50.1284 21.2923 5.01932 19.4747 8.403 -21.0449 TIMING: 1734800 CPU: 5526.64, 0.00319661/step Wall: 5526.64, 0.00319661/step, 2.89933 hours remaining, 242.109375 MB of memory in use. ENERGY: 1734800 4055.3434 20402.9737 14517.5701 261.0181 -203530.2885 2689.2952 0.0000 0.0000 52185.7378 -109418.3503 299.9122 -161604.0880 -109052.1561 299.8652 231.6471 263.6268 758624.5530 -5.4634 -5.4107 PRESSURE: 1735000 -424.755 -114.169 -38.3066 -114.169 -178.985 78.7081 -38.3069 78.7075 -293.638 GPRESSURE: 1735000 -357.872 -244.159 -58.2445 -91.5298 -156.893 62.9728 142.882 27.091 -308.516 PRESSAVG: 1735000 -10.5264 -14.0949 6.8226 -14.0949 -9.61472 23.9623 6.82267 23.9623 -36.1769 GPRESSAVG: 1735000 -10.3223 -13.0014 4.79649 -15.1078 -10.9156 24.8429 8.43623 24.2223 -35.2248 TIMING: 1735000 CPU: 5527.27, 0.00318967/step Wall: 5527.27, 0.00318967/step, 2.89286 hours remaining, 242.109375 MB of memory in use. ENERGY: 1735000 4019.1253 20529.3096 14502.7810 239.9436 -203356.3442 2498.2503 0.0000 0.0000 51987.9510 -109578.9834 298.7755 -161566.9344 -109216.5466 299.1526 -299.1259 -274.4271 759897.2327 -18.7727 -18.8209 PRESSURE: 1735200 168.981 -32.8855 -203.551 -32.8856 302.414 55.9083 -203.551 55.9083 214.942 GPRESSURE: 1735200 175.515 -95.2286 -177.848 3.69653 369.895 77.2597 -23.7862 41.3573 217.055 PRESSAVG: 1735200 -63.5267 -17.5712 -0.809414 -17.5712 30.9057 15.016 -0.80943 15.0161 8.98301 GPRESSAVG: 1735200 -62.6648 -20.9166 0.574968 -15.888 30.5432 13.1847 -0.862724 14.6198 8.24094 TIMING: 1735200 CPU: 5527.91, 0.00319946/step Wall: 5527.91, 0.00319946/step, 2.90156 hours remaining, 242.109375 MB of memory in use. ENERGY: 1735200 4012.0490 20512.6130 14428.2507 263.8182 -203362.5452 2595.7887 0.0000 0.0000 52141.3884 -109408.6371 299.6573 -161550.0255 -109041.9360 299.6016 228.7789 254.1551 760190.2289 -7.8793 -7.9602 PRESSURE: 1735400 122.167 -123.129 -60.7226 -123.129 -78.7492 249.187 -60.722 249.186 380.43 GPRESSURE: 1735400 180.076 -54.649 -55.6125 -230.665 -34.5934 232.294 -2.69651 207.489 335.624 PRESSAVG: 1735400 49.7223 -39.0027 22.9702 -39.0028 -42.6402 51.1657 22.9703 51.1657 -19.9544 GPRESSAVG: 1735400 49.2906 -37.6679 22.2045 -41.0996 -42.3465 50.2743 21.7198 51.7062 -20.2028 TIMING: 1735400 CPU: 5528.56, 0.00320455/step Wall: 5528.56, 0.00320455/step, 2.906 hours remaining, 242.109375 MB of memory in use. ENERGY: 1735400 3939.8579 20741.0180 14490.6344 251.2070 -203264.7331 2471.8065 0.0000 0.0000 51981.5831 -109388.6264 298.7389 -161370.2094 -109032.6272 299.6152 141.2826 160.3687 761206.2688 -4.2908 -4.4196 PRESSURE: 1735600 504.527 -186.367 -37.2679 -186.366 -17.8169 -52.2991 -37.268 -52.2997 -7.73872 GPRESSURE: 1735600 560.53 -114.21 9.00315 -27.3879 -25.4468 -89.3057 -13.6125 32.8561 15.6374 PRESSAVG: 1735600 20.1014 12.7051 30.8939 12.7052 -36.0302 11.7451 30.8939 11.7451 25.3811 GPRESSAVG: 1735600 20.5923 13.3842 31.6423 12.2281 -36.1314 12.4351 30.8857 11.1571 25.0763 TIMING: 1735600 CPU: 5529.2, 0.00320044/step Wall: 5529.2, 0.00320044/step, 2.90209 hours remaining, 242.109375 MB of memory in use. ENERGY: 1735600 3976.4823 20635.9248 14505.8490 237.6754 -203266.7226 2525.9385 0.0000 0.0000 51965.2642 -109419.5886 298.6451 -161384.8527 -109060.3582 299.3395 159.6572 183.5734 760412.2636 3.1508 3.1791 PRESSURE: 1735800 -246.712 -88.3155 -49.6697 -88.3158 114.212 -123.844 -49.6695 -123.844 436.11 GPRESSURE: 1735800 -167.685 -122.154 -19.9888 -9.55762 172.696 -68.8755 56.1804 -144.168 369.004 PRESSAVG: 1735800 -34.3356 -66.6419 7.73883 -66.642 23.692 38.4774 7.73877 38.4774 7.43588 GPRESSAVG: 1735800 -34.7928 -67.2977 5.40801 -64.967 23.6733 39.0341 7.66125 35.4229 8.20087 TIMING: 1735800 CPU: 5529.84, 0.00321635/step Wall: 5529.84, 0.00321635/step, 2.91633 hours remaining, 242.109375 MB of memory in use. ENERGY: 1735800 3943.2026 20549.5789 14451.2507 249.0221 -203138.2208 2397.8109 0.0000 0.0000 52050.1047 -109497.2509 299.1327 -161547.3557 -109143.9315 299.5688 101.2036 124.6714 760610.0398 -1.0692 -0.9729 PRESSURE: 1736000 11.0199 -425.397 -10.3591 -425.397 239.279 -258.551 -10.3588 -258.549 292.679 GPRESSURE: 1736000 97.7331 -314.406 48.8044 -384.125 233.962 -333.456 53.8692 -266.014 276.335 PRESSAVG: 1736000 -51.4205 -29.3268 26.6887 -29.3268 46.6291 19.0956 26.6887 19.0957 -6.31562 GPRESSAVG: 1736000 -52.0762 -29.8805 28.6835 -30.0954 47.302 19.3426 28.0269 21.4963 -6.35369 TIMING: 1736000 CPU: 5530.48, 0.00318933/step Wall: 5530.48, 0.00318933/step, 2.89166 hours remaining, 242.109375 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: 1736000 4051.1453 20472.8737 14498.7398 229.8692 -203147.9988 2257.5809 0.0000 0.0000 52057.4683 -109580.3218 299.1750 -161637.7900 -109227.0677 299.3642 180.9927 202.6766 759880.8304 -3.7023 -3.7093 PRESSURE: 1736200 11.4383 102.213 -1.439 102.212 -3.29688 130.583 -1.43948 130.582 500.104 GPRESSURE: 1736200 67.2785 -19.5352 -19.2529 87.215 12.0059 152.538 62.5654 144.743 526.434 PRESSAVG: 1736200 -20.8008 -5.13451 3.80994 -5.13451 -30.9451 33.9543 3.80989 33.9542 -0.783208 GPRESSAVG: 1736200 -21.693 -5.19537 5.03155 -4.20107 -29.4363 35.5177 3.32012 31.9996 -0.989863 TIMING: 1736200 CPU: 5531.11, 0.00317923/step Wall: 5531.11, 0.00317923/step, 2.88232 hours remaining, 242.109375 MB of memory in use. ENERGY: 1736200 4066.5657 20328.7754 14512.7945 243.6394 -203589.1363 2661.9771 0.0000 0.0000 52203.6876 -109571.6966 300.0153 -161775.3841 -109202.5225 299.1619 169.4150 201.9060 760174.1826 -17.5097 -17.3731 LDB: ============= START OF LOAD BALANCING ============== 5543.57 LDB: ============== END OF LOAD BALANCING =============== 5543.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5543.57 LDB: ============= START OF LOAD BALANCING ============== 5543.89 LDB: Largest compute 7060 load 0.037187 is 19.1% of average load 0.195107 LDB: Average compute 0.004427 is 2.3% of average load 0.195107 LDB: TIME 5543.9 LOAD: AVG 0.195107 MAX 0.2143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.953 MB LDB: TIME 5543.9 LOAD: AVG 0.195107 MAX 0.2143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.953 MB LDB: TIME 5543.9 LOAD: AVG 0.195107 MAX 0.2143 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.953 MB LDB: ============== END OF LOAD BALANCING =============== 5543.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5543.9 PRESSURE: 1736400 -166.246 91.4141 -125.658 91.414 -55.7698 -27.6142 -125.658 -27.6145 -298.978 GPRESSURE: 1736400 -116.064 85.3479 -126.229 20.8078 -57.4399 73.5513 -122.082 -1.72994 -273.11 PRESSAVG: 1736400 -50.8028 20.5576 6.09526 20.5576 25.8802 23.36 6.09528 23.3601 -7.47182 GPRESSAVG: 1736400 -50.6285 22.697 4.36017 20.4622 25.7421 20.5076 6.7817 27.0916 -7.61341 TIMING: 1736400 CPU: 5531.77, 0.00327956/step Wall: 5531.77, 0.00327956/step, 2.9731 hours remaining, 240.195312 MB of memory in use. ENERGY: 1736400 3965.9797 20586.4747 14437.0674 228.1390 -203442.9323 2492.6198 0.0000 0.0000 52021.5431 -109711.1085 298.9685 -161732.6516 -109348.4241 298.9478 -173.6648 -148.8713 760985.9564 -10.7981 -10.8333 PRESSURE: 1736600 -197.803 -63.7032 124.475 -63.7025 -59.744 229.153 124.476 229.153 -230.209 GPRESSURE: 1736600 -184.391 10.0386 148.008 -67.2955 27.0606 77.4691 187.679 161.736 -257.481 PRESSAVG: 1736600 -62.5014 -76.1507 21.5386 -76.1506 59.3239 -6.14973 21.5386 -6.14971 3.13934 GPRESSAVG: 1736600 -61.659 -76.9588 22.2206 -77.3621 58.7802 -6.85621 22.1928 -7.54095 3.11381 TIMING: 1736600 CPU: 5532.41, 0.00319851/step Wall: 5532.41, 0.00319851/step, 2.89945 hours remaining, 240.398438 MB of memory in use. ENERGY: 1736600 3980.4634 20540.3972 14450.8578 234.4712 -203833.6669 2693.1087 0.0000 0.0000 52016.8616 -109917.5071 298.9416 -161934.3687 -109542.4768 298.4745 -162.5852 -138.2704 759637.7049 -0.0127 0.0784 PRESSURE: 1736800 106.257 -260.772 66.0871 -260.773 229.743 189.838 66.0868 189.837 -45.4716 GPRESSURE: 1736800 160.542 -239.78 117.392 -179.547 265.853 183.029 53.7502 358.072 -49.7479 PRESSAVG: 1736800 -80.4495 -49.3608 34.6529 -49.3608 90.1859 -13.2587 34.6529 -13.2587 1.13662 GPRESSAVG: 1736800 -79.9651 -48.4617 35.1394 -48.7012 89.9037 -12.9232 32.0142 -11.3017 0.695051 TIMING: 1736800 CPU: 5533.05, 0.00321/step Wall: 5533.05, 0.00321/step, 2.90969 hours remaining, 240.398438 MB of memory in use. ENERGY: 1736800 4030.4399 20200.0416 14420.7352 246.4718 -203553.1805 2477.5023 0.0000 0.0000 52228.7753 -109949.2145 300.1595 -162177.9898 -109585.3796 298.8771 96.8429 125.5492 759304.4097 3.6243 3.5445 PRESSURE: 1737000 139.171 -193.285 26.2774 -193.285 279.391 128.792 26.2778 128.794 108.057 GPRESSURE: 1737000 193.211 -167.297 11.684 -133.138 246.837 45.5313 -38.9244 55.4111 173.003 PRESSAVG: 1737000 -51.4077 -54.9763 -18.1056 -54.9763 63.6531 6.09992 -18.1056 6.09996 21.0982 GPRESSAVG: 1737000 -51.5069 -55.7562 -20.0945 -54.0929 63.9064 6.20302 -18.1447 4.27624 21.6387 TIMING: 1737000 CPU: 5533.69, 0.00320292/step Wall: 5533.69, 0.00320293/step, 2.9031 hours remaining, 240.398438 MB of memory in use. ENERGY: 1737000 3929.8297 20474.4512 14408.1482 245.6192 -203667.7481 2722.1294 0.0000 0.0000 51960.9834 -109926.5870 298.6205 -161887.5705 -109558.1151 298.6338 175.5397 204.3503 759400.9166 11.1145 11.3461 PRESSURE: 1737200 -314.181 -5.95494 -22.198 -5.95481 -90.8629 -4.31566 -22.1983 -4.31693 -14.7438 GPRESSURE: 1737200 -263.527 -110.105 -119.203 -93.0704 -57.1947 -8.64357 47.2319 83.1462 -0.6324 PRESSAVG: 1737200 -5.07279 -66.2247 -32.2836 -66.2247 4.94137 30.2336 -32.2836 30.2337 15.0703 GPRESSAVG: 1737200 -4.73465 -65.1913 -31.9352 -68.1102 3.66791 31.0487 -30.8254 29.8478 15.9647 TIMING: 1737200 CPU: 5534.33, 0.00318605/step Wall: 5534.33, 0.00318605/step, 2.88762 hours remaining, 240.398438 MB of memory in use. ENERGY: 1737200 3962.9255 20398.7784 14486.3588 223.1393 -203341.5475 2374.5642 0.0000 0.0000 52008.6950 -109887.0862 298.8947 -161895.7812 -109516.3879 298.8955 -139.9292 -107.1182 760574.6589 4.9796 4.9660 PRESSURE: 1737400 -598.275 24.5483 -48.5134 24.5482 -426.319 -93.4011 -48.5131 -93.4009 -556.696 GPRESSURE: 1737400 -566.352 82.1652 58.086 -47.8004 -474 -140.57 -18.587 26.3758 -473.225 PRESSAVG: 1737400 28.1302 -49.5078 -0.514601 -49.5078 -7.15932 -15.2253 -0.514603 -15.2253 14.8705 GPRESSAVG: 1737400 27.38 -51.2036 0.773753 -48.4297 -5.23026 -15.7774 0.685113 -14.9121 13.4985 TIMING: 1737400 CPU: 5534.97, 0.00320898/step Wall: 5534.97, 0.00320898/step, 2.90823 hours remaining, 240.398438 MB of memory in use. ENERGY: 1737400 4078.4374 20391.2441 14447.7666 246.1991 -202596.8123 1800.6162 0.0000 0.0000 51723.9761 -109908.5728 297.2584 -161632.5489 -109540.5852 298.1269 -527.0968 -504.5256 761228.0256 11.9471 11.8827 PRESSURE: 1737600 10.7863 -199.873 -92.8521 -199.874 -95.1029 211.943 -92.8524 211.943 -216.625 GPRESSURE: 1737600 3.51238 -183.354 -39.5171 -227.06 -111.207 164.966 -30.1545 182.51 -122.277 PRESSAVG: 1737600 -15.2915 -72.6494 3.52444 -72.6494 -25.2688 -10.6929 3.52445 -10.693 -0.848399 GPRESSAVG: 1737600 -14.8565 -72.51 1.55172 -72.2303 -26.0835 -9.32539 2.58403 -11.2314 -0.782834 TIMING: 1737600 CPU: 5535.61, 0.00320394/step Wall: 5535.61, 0.00320394/step, 2.90349 hours remaining, 240.398438 MB of memory in use. ENERGY: 1737600 4025.6251 20545.1038 14431.2728 244.8708 -203371.5520 2451.6369 0.0000 0.0000 52053.8746 -109619.1680 299.1543 -161673.0426 -109267.9546 298.4332 -100.3138 -76.6574 760406.3586 -13.8029 -13.9076 PRESSURE: 1737800 -100.601 51.2475 -110.423 51.2486 190.814 -55.1862 -110.423 -55.1862 -83.9757 GPRESSURE: 1737800 -59.5549 0.590954 -86.0362 96.4052 223.708 -13.645 -161.119 -29.0532 -85.6112 PRESSAVG: 1737800 49.4223 -48.1163 -57.5588 -48.1163 -10.4479 65.3296 -57.5588 65.3296 26.8259 GPRESSAVG: 1737800 48.9252 -47.3812 -57.1695 -49.5254 -8.97335 63.4859 -55.4244 64.7044 26.162 TIMING: 1737800 CPU: 5536.24, 0.00316637/step Wall: 5536.24, 0.00316637/step, 2.86926 hours remaining, 240.398438 MB of memory in use. ENERGY: 1737800 3919.8955 20458.7355 14453.0235 226.8970 -203071.4877 2447.3993 0.0000 0.0000 52190.5321 -109375.0048 299.9397 -161565.5369 -109014.9678 299.3856 2.0790 26.1808 760520.1840 21.9334 22.0380 PRESSURE: 1738000 141.642 -11.1458 77.9261 -11.1445 126.727 -108.817 77.9269 -108.817 -157.265 GPRESSURE: 1738000 155.906 71.4008 12.7292 26.8764 150.796 -50.1603 96.2909 -50.7 -106.883 PRESSAVG: 1738000 -16.9638 -32.7695 -46.5045 -32.7695 20.0746 38.2002 -46.5044 38.2002 -25.9019 GPRESSAVG: 1738000 -16.8841 -32.2067 -46.7326 -32.4792 20.0096 38.4637 -49.6882 40.355 -25.6304 TIMING: 1738000 CPU: 5536.88, 0.00319484/step Wall: 5536.88, 0.00319484/step, 2.89488 hours remaining, 240.398438 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: 1738000 4051.7009 20464.4127 14525.3056 230.8981 -203198.6644 2537.1752 0.0000 0.0000 52303.1626 -109086.0094 300.5870 -161389.1720 -108716.8151 299.6886 37.0344 66.6064 761261.9872 -7.5970 -7.5016 PRESSURE: 1738200 -201.973 -251.06 -109.872 -251.061 33.33 39.939 -109.871 39.9389 36.0251 GPRESSURE: 1738200 -230.234 -73.7474 -189.689 -205.099 7.2959 37.1578 59.1296 118.606 182.925 PRESSAVG: 1738200 -34.3665 -2.99293 42.378 -2.99291 19.7007 -4.02807 42.378 -4.02803 -3.82814 GPRESSAVG: 1738200 -34.2413 -3.75177 43.5007 0.0520018 18.8251 -2.60746 43.8488 -7.60228 -3.12734 TIMING: 1738200 CPU: 5537.52, 0.00319092/step Wall: 5537.52, 0.00319092/step, 2.89115 hours remaining, 240.398438 MB of memory in use. ENERGY: 1738200 4021.4791 20480.9095 14454.9141 252.4240 -202684.5652 2195.1287 0.0000 0.0000 52046.8006 -109232.9093 299.1137 -161279.7099 -108869.1423 300.4883 -44.2060 -13.3379 760267.8968 -6.1646 -6.1812 PRESSURE: 1738400 -128.144 49.2798 -13.3849 49.2796 349.192 32.9132 -13.3839 32.9136 184.382 GPRESSURE: 1738400 -78.2291 17.1413 -15.4168 185.435 392.343 -66.5091 -59.8968 132.91 169.093 PRESSAVG: 1738400 -76.1866 0.464595 -9.44225 0.464574 76.0165 12.3577 -9.44226 12.3576 5.65716 GPRESSAVG: 1738400 -75.7687 0.308984 -10.8992 -1.27339 75.7811 11.2709 -11.0412 14.3492 5.09713 TIMING: 1738400 CPU: 5538.16, 0.00317607/step Wall: 5538.16, 0.00317607/step, 2.87752 hours remaining, 240.398438 MB of memory in use. ENERGY: 1738400 3992.2083 20593.1645 14453.8953 237.4378 -203350.5706 2597.4767 0.0000 0.0000 52211.6918 -109264.6962 300.0613 -161476.3880 -108904.0801 300.0860 135.1430 161.0692 759579.9206 1.8290 1.7032 PRESSURE: 1738600 -214.447 -47.197 153.181 -47.1957 30.9085 27.3578 153.181 27.3577 2.12076 GPRESSURE: 1738600 -332.128 -47.4476 36.0799 -61.8444 114.286 -55.0926 101.451 -49.5568 93.2794 PRESSAVG: 1738600 -63.5314 -12.0004 -10.1762 -12.0003 90.5644 -19.9364 -10.1762 -19.9364 36.5445 GPRESSAVG: 1738600 -64.7343 -12.303 -9.87295 -13.2288 91.9369 -20.1256 -9.783 -18.7748 36.3414 TIMING: 1738600 CPU: 5538.8, 0.00321252/step Wall: 5538.8, 0.00321252/step, 2.91037 hours remaining, 240.398438 MB of memory in use. ENERGY: 1738600 3956.8739 20565.7313 14529.3993 248.5528 -203065.3086 2382.8631 0.0000 0.0000 52149.0429 -109232.8453 299.7013 -161381.8882 -108857.4795 300.1265 -60.4725 -41.5209 760545.9466 21.1925 21.1813 PRESSURE: 1738800 24.7902 -21.314 -131.604 -21.3139 170.605 178.497 -131.603 178.497 -255.901 GPRESSURE: 1738800 25.7431 63.82 -30.3042 -78.3309 220.122 181.665 -95.6306 146.596 -205.959 PRESSAVG: 1738800 -36.094 -4.88125 -44.3127 -4.88123 -11.1314 -2.44256 -44.3127 -2.4425 -10.5423 GPRESSAVG: 1738800 -35.9343 -5.05417 -42.562 -3.65101 -11.0296 -2.0787 -42.8714 -5.56271 -10.0739 TIMING: 1738800 CPU: 5539.44, 0.00320753/step Wall: 5539.44, 0.00320753/step, 2.90566 hours remaining, 240.398438 MB of memory in use. ENERGY: 1738800 3949.0713 20396.1267 14493.3451 240.2823 -203419.4296 2496.9934 0.0000 0.0000 52294.1059 -109549.5049 300.5349 -161843.6108 -109176.6583 299.6032 -20.1688 13.3021 762063.5355 -19.2559 -19.0126 PRESSURE: 1739000 230.291 -163.812 23.7123 -163.812 298.201 -270.748 23.7131 -270.747 351.85 GPRESSURE: 1739000 289.022 -130.68 6.72642 -176.831 258.92 -179.957 34.1103 -186.379 398.713 PRESSAVG: 1739000 2.39199 14.5646 -77.1514 14.5646 49.7506 -25.6715 -77.1513 -25.6715 -5.71409 GPRESSAVG: 1739000 4.49977 15.6111 -77.7454 15.7362 48.5069 -23.5445 -79.3739 -25.4034 -7.15548 TIMING: 1739000 CPU: 5540.08, 0.0031855/step Wall: 5540.08, 0.0031855/step, 2.88554 hours remaining, 240.398438 MB of memory in use. ENERGY: 1739000 3899.7889 20548.7417 14385.4095 250.3538 -203190.4858 2564.1910 0.0000 0.0000 52183.4284 -109358.5726 299.8989 -161542.0009 -108986.5353 299.1907 293.4472 315.5516 759984.9478 15.4762 15.2837 PRESSURE: 1739200 323.673 369.009 -25.5272 369.01 -323.187 34.7917 -25.5277 34.791 -448.667 GPRESSURE: 1739200 253.366 193.85 36.134 243.587 -240.596 57.7072 30.6795 -71.4716 -373.285 PRESSAVG: 1739200 -23.0125 7.69908 -64.0984 7.69909 8.36254 18.8828 -64.0983 18.8828 25.8141 GPRESSAVG: 1739200 -24.8646 7.64021 -63.8194 6.51377 9.29624 15.949 -62.996 21.0326 26.5281 TIMING: 1739200 CPU: 5540.71, 0.00318026/step Wall: 5540.71, 0.00318026/step, 2.88061 hours remaining, 240.398438 MB of memory in use. ENERGY: 1739200 3966.4579 20557.2885 14462.1868 247.9089 -203090.1039 2274.1061 0.0000 0.0000 52212.6285 -109369.5273 300.0667 -161582.1558 -109005.0131 299.5786 -149.3937 -120.1714 762065.9223 3.7214 3.6533 PRESSURE: 1739400 -187.006 -205.322 -74.2129 -205.323 19.1584 116.956 -74.2131 116.955 -377.003 GPRESSURE: 1739400 -188.395 -113.899 -74.4606 -222.626 -2.41816 177.09 -109.14 155.726 -263.326 PRESSAVG: 1739400 75.2356 -30.5694 -14.7768 -30.5694 -138.041 28.0135 -14.7768 28.0135 4.44957 GPRESSAVG: 1739400 74.9471 -29.3636 -14.8833 -30.1995 -138.232 28.2638 -14.8866 26.171 5.00418 TIMING: 1739400 CPU: 5541.36, 0.00320732/step Wall: 5541.36, 0.00320732/step, 2.90494 hours remaining, 240.398438 MB of memory in use. ENERGY: 1739400 4158.1497 20632.8914 14404.9417 234.5347 -203438.8888 2645.4347 0.0000 0.0000 52070.5911 -109292.3455 299.2504 -161362.9367 -108939.9000 299.9485 -181.6170 -151.3798 761951.3843 -19.4521 -19.4270 PRESSURE: 1739600 106.688 -65.6997 -124.411 -65.6995 -485.162 -130.239 -124.412 -130.24 107.76 GPRESSURE: 1739600 138.197 -89.9165 -143.738 -168.662 -404.484 -111.437 -178.068 -110.45 71.0307 PRESSAVG: 1739600 110.962 -40.1856 -3.52248 -40.1856 -68.1943 -33.8439 -3.52255 -33.8438 19.1524 GPRESSAVG: 1739600 111.766 -41.734 -3.86946 -39.1196 -69.0024 -35.5115 -4.58388 -32.5366 18.4641 TIMING: 1739600 CPU: 5541.99, 0.00319469/step Wall: 5541.99, 0.00319469/step, 2.89332 hours remaining, 240.398438 MB of memory in use. ENERGY: 1739600 4020.9310 20571.0698 14483.4066 254.9101 -203249.1989 2519.8711 0.0000 0.0000 52140.2232 -109258.7872 299.6506 -161399.0103 -108906.0772 299.7475 -90.2381 -65.0853 760839.2869 20.6399 20.4092 PRESSURE: 1739800 246.482 -3.31182 189.93 -3.31291 32.7843 136.4 189.93 136.399 601.535 GPRESSURE: 1739800 257.506 63.1467 216.461 -102.218 95.1518 132.874 46.7164 70.5286 613.786 PRESSAVG: 1739800 57.3402 -47.6946 58.4291 -47.6945 -62.4644 28.4363 58.429 28.4363 23.8281 GPRESSAVG: 1739800 56.6433 -46.2669 58.981 -50.0539 -61.5868 29.6239 58.2127 25.8249 23.5064 TIMING: 1739800 CPU: 5542.63, 0.00316858/step Wall: 5542.63, 0.00316858/step, 2.8695 hours remaining, 240.398438 MB of memory in use. ENERGY: 1739800 3938.0467 20496.5132 14468.6155 250.2943 -203156.7767 2517.2175 0.0000 0.0000 52168.1783 -109317.9111 299.8112 -161486.0894 -108954.8385 299.4417 293.6007 322.1477 761086.4088 6.2346 6.1876 PRESSURE: 1740000 77.6274 -117.345 -41.9234 -117.346 97.7298 107.037 -41.9233 107.037 -43.3206 GPRESSURE: 1740000 115.442 -2.37203 67.5102 -136.461 104.031 81.7383 -27.7692 58.8345 15.4895 PRESSAVG: 1740000 27.5348 -41.7576 54.9576 -41.7576 -75.1583 -8.03369 54.9576 -8.03364 26.7415 GPRESSAVG: 1740000 27.7907 -44.813 55.4455 -39.8754 -75.934 -9.0217 55.5285 -7.27566 27.7221 TIMING: 1740000 CPU: 5543.26, 0.00318121/step Wall: 5543.26, 0.00318121/step, 2.88077 hours remaining, 240.398438 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: 1740000 4009.3490 20552.5658 14423.7730 257.1952 -203226.3369 2392.8775 0.0000 0.0000 52127.6094 -109462.9670 299.5781 -161590.5764 -109107.2737 299.4758 44.0122 78.3211 759286.3136 -6.9607 -6.8071 PRESSURE: 1740200 -185.506 -218.29 94.704 -218.29 46.9531 2.9668 94.704 2.9656 115.556 GPRESSURE: 1740200 -125.318 -36.0652 19.2335 -214.424 119.376 32.6954 136.396 25.6287 63.5857 PRESSAVG: 1740200 -15.4848 -1.56464 16.9786 -1.56457 7.12622 76.9833 16.9786 76.9833 -11.1699 GPRESSAVG: 1740200 -16.5486 -3.20153 17.1106 -1.57766 8.46001 78.2633 16.2753 74.8216 -11.3697 TIMING: 1740200 CPU: 5543.9, 0.00319583/step Wall: 5543.9, 0.00319583/step, 2.89382 hours remaining, 240.398438 MB of memory in use. ENERGY: 1740200 3940.6817 20547.3494 14435.9888 249.7101 -203204.6658 2503.0421 0.0000 0.0000 51971.5551 -109556.3385 298.6812 -161527.8936 -109196.1868 299.2608 -7.6655 19.2145 759659.4518 -6.5095 -6.4861 LDB: ============= START OF LOAD BALANCING ============== 5556.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5556.36 LDB: =============== DONE WITH MIGRATION ================ 5556.36 LDB: ============= START OF LOAD BALANCING ============== 5556.68 LDB: Largest compute 7060 load 0.036648 is 18.8% of average load 0.195161 LDB: Average compute 0.004444 is 2.3% of average load 0.195161 LDB: TIME 5556.69 LOAD: AVG 0.195161 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.477 MB LDB: TIME 5556.69 LOAD: AVG 0.195161 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.684 MB LDB: TIME 5556.69 LOAD: AVG 0.195161 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.684 MB LDB: ============== END OF LOAD BALANCING =============== 5556.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5556.69 PRESSURE: 1740400 -515.818 -5.09001 -288.378 -5.08868 -9.74242 -5.62217 -288.377 -5.62193 160.793 GPRESSURE: 1740400 -429.629 -39.328 -282.247 -27.3755 -69.8281 32.5239 -297.546 -118.087 237.66 PRESSAVG: 1740400 13.3674 4.35018 -5.82779 4.35028 -10.4832 18.7231 -5.82784 18.7231 -5.15122 GPRESSAVG: 1740400 12.6868 6.57821 -5.20216 3.75123 -11.925 18.2436 -5.89938 20.4303 -3.08827 TIMING: 1740400 CPU: 5544.56, 0.00327286/step Wall: 5544.56, 0.00327286/step, 2.96339 hours remaining, 238.968750 MB of memory in use. ENERGY: 1740400 3993.8690 20420.0269 14412.4611 254.0746 -202812.9281 2114.3083 0.0000 0.0000 52070.0257 -109548.1623 299.2472 -161618.1881 -109177.1959 299.5634 -121.5893 -87.2656 758897.5846 -0.7557 -0.7755 PRESSURE: 1740600 -13.1343 -230.164 182.086 -230.163 -88.4229 32.3171 182.085 32.3166 -195.656 GPRESSURE: 1740600 -3.59504 -138.507 91.3012 -221.834 -23.7646 63.987 84.1795 11.3188 -192.674 PRESSAVG: 1740600 8.82115 -57.0733 -20.1857 -57.0733 29.0938 24.0621 -20.1857 24.0621 0.490799 GPRESSAVG: 1740600 9.69239 -57.5466 -21.0146 -54.9705 29.4561 25.3006 -17.9868 24.031 -0.742415 TIMING: 1740600 CPU: 5545.19, 0.00318248/step Wall: 5545.19, 0.00318248/step, 2.88138 hours remaining, 238.968750 MB of memory in use. ENERGY: 1740600 3998.6060 20564.3415 14452.6393 258.1133 -202894.5211 2113.2572 0.0000 0.0000 52039.9507 -109467.6131 299.0743 -161507.5638 -109107.5139 299.4232 -99.0711 -73.3445 759719.3223 12.8019 12.8020 PRESSURE: 1740800 87.6962 116.687 95.8561 116.687 -115.538 -236.839 95.856 -236.84 -154.82 GPRESSURE: 1740800 201.13 166.486 62.413 72.1147 -104.99 -393.542 167.137 -107.319 -187.109 PRESSAVG: 1740800 8.32744 -11.4969 54.2299 -11.4969 -11.0808 23.5835 54.2299 23.5834 -19.4768 GPRESSAVG: 1740800 8.83315 -10.8213 54.8302 -12.8401 -10.9427 21.5921 52.9742 26.2829 -20.132 TIMING: 1740800 CPU: 5545.83, 0.00319837/step Wall: 5545.83, 0.00319837/step, 2.89559 hours remaining, 238.968750 MB of memory in use. ENERGY: 1740800 4021.2968 20469.6222 14350.7002 260.3108 -203167.1159 2528.8549 0.0000 0.0000 52020.5846 -109515.7463 298.9630 -161536.3309 -109155.0966 298.9562 -60.8874 -30.3229 761155.1197 -7.4101 -7.4138 PRESSURE: 1741000 196.073 -105.126 179.639 -105.126 67.2722 272.81 179.639 272.81 -29.1942 GPRESSURE: 1741000 182.922 -97.7245 166.791 2.16713 80.6242 345.455 128.64 405.728 42.7978 PRESSAVG: 1741000 31.8876 -65.655 -16.4805 -65.655 -16.9866 -13.1307 -16.4805 -13.1307 28.3177 GPRESSAVG: 1741000 30.0711 -66.2417 -16.6533 -64.9643 -15.5066 -12.3203 -17.3247 -15.6073 28.5877 TIMING: 1741000 CPU: 5546.47, 0.00318388/step Wall: 5546.47, 0.00318388/step, 2.8823 hours remaining, 238.968750 MB of memory in use. ENERGY: 1741000 3904.5200 20577.4061 14410.7679 240.6966 -203530.1249 2856.3389 0.0000 0.0000 52017.2633 -109523.1321 298.9439 -161540.3954 -109163.8911 299.2142 78.0503 102.1146 760542.1748 14.4062 14.3841 PRESSURE: 1741200 -44.1258 -34.187 48.1498 -34.1866 -197.359 -95.1197 48.1491 -95.1199 335.474 GPRESSURE: 1741200 -17.4191 -14.9247 113.805 -63.0532 -117.672 -103.452 100.711 -145.817 329.922 PRESSAVG: 1741200 26.8665 -3.97713 29.7702 -3.9771 7.08748 62.1946 29.7703 62.1946 -7.46342 GPRESSAVG: 1741200 28.978 -4.56172 30.3645 -3.59843 5.44049 62.315 30.7089 61.9887 -7.74142 TIMING: 1741200 CPU: 5547.11, 0.00318973/step Wall: 5547.11, 0.00318973/step, 2.88742 hours remaining, 238.968750 MB of memory in use. ENERGY: 1741200 4047.9217 20487.1251 14420.3529 252.5229 -203177.9566 2604.7896 0.0000 0.0000 51785.8753 -109579.3691 297.6141 -161365.2444 -109220.7489 299.0473 31.3297 64.9436 760629.7047 8.8302 8.8924 PRESSURE: 1741400 4.04462 -153.26 -47.9614 -153.261 106.205 -3.00114 -47.9609 -3.00118 -103.096 GPRESSURE: 1741400 132.291 -179.77 45.6731 -106.415 91.3516 1.47276 -112.332 158.477 -116.56 PRESSAVG: 1741400 -4.20429 -62.038 31.4677 -62.0381 3.04788 22.6984 31.4677 22.6984 -8.74414 GPRESSAVG: 1741400 -4.58248 -60.9391 31.7286 -62.8281 4.05566 20.4645 31.5462 25.2801 -9.26005 TIMING: 1741400 CPU: 5547.75, 0.00320489/step Wall: 5547.75, 0.00320489/step, 2.90096 hours remaining, 238.968750 MB of memory in use. ENERGY: 1741400 3963.3489 20579.3945 14392.3648 249.7390 -203120.8401 2432.8399 0.0000 0.0000 51744.0808 -109759.0720 297.3739 -161503.1528 -109405.0921 298.3699 2.3846 35.6941 762398.5115 -3.3002 -3.2623 PRESSURE: 1741600 126.427 -294.802 297.502 -294.802 -72.0042 35.9594 297.502 35.9603 -131.484 GPRESSURE: 1741600 78.5454 -248.431 314.888 -239.994 36.1445 77.7656 296.264 13.2427 -103.833 PRESSAVG: 1741600 58.4898 -47.9626 19.9007 -47.9627 -68.7877 -14.8732 19.9007 -14.8732 3.54883 GPRESSAVG: 1741600 57.5767 -48.2787 18.0778 -48.7873 -69.8704 -12.5833 21.0739 -17.7834 5.00117 TIMING: 1741600 CPU: 5548.39, 0.00319889/step Wall: 5548.39, 0.00319889/step, 2.89535 hours remaining, 238.968750 MB of memory in use. ENERGY: 1741600 3926.4196 20489.6463 14330.2142 236.6468 -203449.3832 2600.7995 0.0000 0.0000 52033.7430 -109831.9139 299.0386 -161865.6568 -109467.3199 298.4641 -25.6872 3.6189 760671.0534 -2.2497 -2.4309 PRESSURE: 1741800 320.266 70.3182 60.307 70.3194 157.512 185.63 60.3069 185.63 457.412 GPRESSURE: 1741800 360.661 35.3073 100.95 24.0103 185.076 241.017 3.41493 50.2872 484.429 PRESSAVG: 1741800 32.4378 -38.7048 42.242 -38.7047 -32.5762 27.1283 42.2421 27.1283 -3.906 GPRESSAVG: 1741800 33.2933 -37.6363 42.9973 -37.8359 -33.0586 28.4283 42.1826 26.6985 -3.69084 TIMING: 1741800 CPU: 5549.03, 0.00322044/step Wall: 5549.03, 0.00322044/step, 2.91468 hours remaining, 238.968750 MB of memory in use. ENERGY: 1741800 3925.3128 20547.9346 14426.8455 261.8886 -203593.6907 2773.0695 0.0000 0.0000 52044.6288 -109614.0109 299.1012 -161658.6397 -109247.7173 298.7422 311.7301 343.3888 760580.0655 -1.3481 -1.1520 PRESSURE: 1742000 314.705 4.6644 -100.231 4.6646 162.735 -65.32 -100.231 -65.3204 -93.9925 GPRESSURE: 1742000 391.61 -123.175 -102.085 82.1265 243.925 -91.9337 -144.164 -6.61133 -161.648 PRESSAVG: 1742000 41.0422 -48.5085 30.696 -48.5085 -49.3969 13.3035 30.696 13.3036 -2.98005 GPRESSAVG: 1742000 41.9556 -49.8175 29.7458 -49.1405 -48.9878 13.1475 28.4714 13.3125 -4.31215 TIMING: 1742000 CPU: 5549.68, 0.00321623/step Wall: 5549.68, 0.00321623/step, 2.91069 hours remaining, 238.968750 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: 1742000 3919.9129 20608.3109 14392.6684 245.3067 -203061.6241 2353.8499 0.0000 0.0000 51971.6127 -109569.9626 298.6816 -161541.5753 -109209.8624 299.0795 127.8158 157.9624 761287.9495 -3.7782 -3.7815 PRESSURE: 1742200 -432.12 -76.7361 -18.5655 -76.736 -342.697 134.64 -18.5666 134.64 -136.488 GPRESSURE: 1742200 -333.926 52.7635 -58.2062 -140.835 -327.339 89.5284 19.1979 101.462 -153.357 PRESSAVG: 1742200 27.301 -8.73332 16.0712 -8.73329 -49.1138 18.1328 16.0712 18.1328 -7.00342 GPRESSAVG: 1742200 26.4634 -5.90654 17.7608 -7.83607 -50.4718 17.8599 16.787 20.701 -5.04562 TIMING: 1742200 CPU: 5550.32, 0.00322529/step Wall: 5550.32, 0.00322529/step, 2.91871 hours remaining, 238.968750 MB of memory in use. ENERGY: 1742200 3946.8823 20607.7276 14438.9198 256.5970 -203448.8612 2614.8682 0.0000 0.0000 52127.2045 -109456.6616 299.5758 -161583.8661 -109097.3874 299.1503 -303.7683 -271.5406 761965.1187 -9.6054 -9.6847 PRESSURE: 1742400 250.439 -320.743 213.385 -320.744 -48.3312 172.08 213.384 172.08 205.009 GPRESSURE: 1742400 275.301 -303.425 211.877 -247.261 -111.175 185.596 105.797 73.8998 323.115 PRESSAVG: 1742400 44.3425 9.28426 -6.22947 9.28431 -63.2265 -15.2645 -6.22942 -15.2645 8.36728 GPRESSAVG: 1742400 44.3652 6.45107 -7.41827 10.4795 -62.1985 -14.1322 -6.76867 -17.3152 6.50132 TIMING: 1742400 CPU: 5550.96, 0.003201/step Wall: 5550.96, 0.003201/step, 2.89655 hours remaining, 238.968750 MB of memory in use. ENERGY: 1742400 3944.4528 20662.6476 14424.1728 247.6240 -203488.6612 2725.7647 0.0000 0.0000 51925.0843 -109558.9150 298.4142 -161483.9992 -109207.4605 299.4017 135.7056 162.4135 759142.0342 -3.5056 -3.7773 PRESSURE: 1742600 -299.259 -108.817 -238.846 -108.818 -542.159 -273.273 -238.847 -273.273 -460.177 GPRESSURE: 1742600 -311.436 -203.325 -186.695 -164.045 -462.261 -326.037 -105.565 -244.657 -443.29 PRESSAVG: 1742600 42.7956 -57.7476 -6.5611 -57.7476 -36.4646 -41.3133 -6.56116 -41.3134 -4.58 GPRESSAVG: 1742600 41.9062 -57.8857 -6.22657 -59.9822 -36.2927 -43.8841 -4.65499 -42.0363 -3.98254 TIMING: 1742600 CPU: 5551.6, 0.00320693/step Wall: 5551.6, 0.00320693/step, 2.90173 hours remaining, 238.968750 MB of memory in use. ENERGY: 1742600 3995.4056 20547.0899 14427.7233 235.7186 -202945.2967 2351.3610 0.0000 0.0000 51710.4983 -109677.5000 297.1809 -161387.9984 -109314.6147 298.8854 -433.8650 -405.6626 760915.6133 0.5837 0.5436 PRESSURE: 1742800 235.629 26.844 -254.47 26.8433 -83.8712 -164.921 -254.47 -164.92 164.953 GPRESSURE: 1742800 249.554 -75.9712 -334.435 -123.728 -44.6344 -74.6652 -333.665 -135.42 196.013 PRESSAVG: 1742800 88.7541 -28.9665 -33.8315 -28.9664 -64.4771 -50.2594 -33.8315 -50.2593 4.09723 GPRESSAVG: 1742800 88.6134 -28.7438 -33.2049 -29.4356 -64.3629 -49.5598 -35.3392 -48.0095 4.13921 TIMING: 1742800 CPU: 5552.24, 0.00320166/step Wall: 5552.24, 0.00320166/step, 2.89679 hours remaining, 238.968750 MB of memory in use. ENERGY: 1742800 3858.5605 20439.1200 14390.7416 243.5456 -203320.7706 2546.1894 0.0000 0.0000 52166.3307 -109676.2828 299.8006 -161842.6136 -109306.5803 299.2640 105.5703 133.6441 761502.8835 9.4581 9.4632 PRESSURE: 1743000 -328.534 -236.444 136.248 -236.444 -217.819 185.675 136.247 185.676 189.655 GPRESSURE: 1743000 -174.374 -204.771 179.547 -303.852 -265.649 227.844 151.791 39.9892 174.45 PRESSAVG: 1743000 49.1885 -18.9809 -32.8877 -18.9809 -42.9887 -14.9469 -32.8878 -14.9469 12.7794 GPRESSAVG: 1743000 48.9549 -18.1674 -34.2904 -18.8162 -43.6188 -13.9905 -30.5514 -15.5133 13.8793 TIMING: 1743000 CPU: 5552.89, 0.00321326/step Wall: 5552.89, 0.00321326/step, 2.90711 hours remaining, 238.968750 MB of memory in use. ENERGY: 1743000 3988.1095 20406.4218 14434.3575 237.0833 -203521.6077 2639.6280 0.0000 0.0000 52166.2069 -109649.8008 299.7999 -161816.0076 -109282.4124 299.2715 -118.8993 -88.5241 758975.8747 6.3264 6.4051 PRESSURE: 1743200 158.976 -44.2237 -69.3261 -44.2233 -30.2685 63.303 -69.3266 63.3034 162.661 GPRESSURE: 1743200 224.141 -40.4681 -121.257 -19.7151 -5.74978 66.9362 -38.9051 42.0012 153.369 PRESSAVG: 1743200 30.7607 -12.3131 4.62854 -12.3131 -3.95919 -20.7989 4.62855 -20.7989 16.5327 GPRESSAVG: 1743200 31.7757 -12.8242 5.04278 -12.6287 -4.35378 -21.6725 2.90467 -22.2713 16.1056 TIMING: 1743200 CPU: 5553.53, 0.00321828/step Wall: 5553.53, 0.00321828/step, 2.91147 hours remaining, 238.968750 MB of memory in use. ENERGY: 1743200 3925.3448 20558.6329 14357.6011 258.6934 -203793.6970 2795.5432 0.0000 0.0000 52120.1660 -109777.7156 299.5353 -161897.8816 -109410.9606 298.9932 97.1231 123.9203 759391.1512 14.4447 14.5092 PRESSURE: 1743400 -331.336 -45.144 -83.3849 -45.1443 -202.247 61.68 -83.3855 61.6803 -131.106 GPRESSURE: 1743400 -309.649 -120.763 -87.2007 -22.1294 -189.255 17.3089 -41.0216 214.416 -82.0069 PRESSAVG: 1743400 -2.24549 -15.9361 5.52148 -15.9362 20.229 17.5386 5.52147 17.5386 -12.7295 GPRESSAVG: 1743400 -2.38474 -15.717 6.01283 -14.6952 20.4447 17.3567 6.11851 17.7105 -11.7394 TIMING: 1743400 CPU: 5554.17, 0.00321933/step Wall: 5554.17, 0.00321934/step, 2.91225 hours remaining, 238.968750 MB of memory in use. ENERGY: 1743400 3995.9163 20366.0801 14468.0751 236.1916 -203065.8633 2393.8268 0.0000 0.0000 52047.9792 -109557.7943 299.1205 -161605.7735 -109195.8562 298.6559 -221.5630 -193.6370 761427.9535 1.7513 2.1068 PRESSURE: 1743600 64.5869 -3.16757 -136.847 -3.16735 95.735 89.9802 -136.847 89.9808 292.523 GPRESSURE: 1743600 78.5982 68.281 -260.853 -112.497 109.007 68.357 -62.5021 131.814 345.646 PRESSAVG: 1743600 -11.2633 -35.0548 -16.9272 -35.0548 20.515 49.8047 -16.9272 49.8048 8.0335 GPRESSAVG: 1743600 -11.1978 -35.6044 -19.1705 -36.6971 20.5668 50.3438 -15.2336 51.5869 8.04011 TIMING: 1743600 CPU: 5554.82, 0.00323283/step Wall: 5554.82, 0.00323283/step, 2.92428 hours remaining, 238.968750 MB of memory in use. ENERGY: 1743600 3995.3161 20411.4792 14437.0600 246.3839 -203264.7425 2602.3367 0.0000 0.0000 51840.6170 -109731.5496 297.9287 -161572.1667 -109364.8467 298.4596 150.9482 177.7503 760255.3347 5.7617 5.8031 PRESSURE: 1743800 27.7897 275.387 48.2754 275.387 -114.497 3.57532 48.2764 3.57528 289.092 GPRESSURE: 1743800 -27.5349 242.038 50.4493 276.133 33.8567 -28.979 -63.8591 -83.0632 285.657 PRESSAVG: 1743800 38.0255 -28.9234 41.1853 -28.9234 -30.3345 -0.766004 41.1853 -0.765982 10.4645 GPRESSAVG: 1743800 37.246 -28.0111 42.7641 -27.0029 -28.796 -0.575036 37.4317 -3.09083 9.92067 TIMING: 1743800 CPU: 5555.47, 0.00324196/step Wall: 5555.47, 0.00324196/step, 2.93235 hours remaining, 238.968750 MB of memory in use. ENERGY: 1743800 3924.1578 20436.6817 14379.8149 251.6924 -203299.3897 2595.3231 0.0000 0.0000 51843.8478 -109867.8720 297.9473 -161711.7198 -109511.0126 298.3539 67.4616 97.3264 761038.3619 6.0518 6.1236 PRESSURE: 1744000 195.543 -38.9736 -56.5515 -38.9736 116.086 -107.975 -56.5517 -107.975 80.3252 GPRESSURE: 1744000 260.442 -49.2069 40.8397 -64.1806 180.5 -103.578 -17.3333 -105.206 43.1417 PRESSAVG: 1744000 -5.12481 30.9684 -3.41153 30.9684 -7.56593 -58.1878 -3.41154 -58.1877 -4.95762 GPRESSAVG: 1744000 -4.42084 31.3968 -2.79361 29.6345 -9.56849 -59.883 -0.122167 -56.9047 -3.97957 TIMING: 1744000 CPU: 5556.11, 0.00322357/step Wall: 5556.11, 0.00322357/step, 2.91554 hours remaining, 238.968750 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: 1744000 4041.4000 20461.0764 14380.9850 238.6428 -204002.9629 2950.5240 0.0000 0.0000 51980.4626 -109949.8720 298.7324 -161930.3346 -109592.4294 298.6017 130.6515 161.3609 761042.7305 -5.8828 -5.9896 PRESSURE: 1744200 18.3851 -6.96421 104.885 -6.96352 -83.3825 67.4764 104.884 67.477 98.4843 GPRESSURE: 1744200 78.0604 -40.8147 89.8623 38.8827 -34.8383 24.5056 92.9133 175.166 84.6972 PRESSAVG: 1744200 8.68679 -12.3927 -2.11393 -12.3927 -9.97639 14.7583 -2.11396 14.7583 -6.17813 GPRESSAVG: 1744200 8.73935 -11.7638 -3.05228 -12.9619 -9.4749 17.1561 -3.33138 14.8895 -6.91015 TIMING: 1744200 CPU: 5556.75, 0.00319871/step Wall: 5556.75, 0.00319871/step, 2.89288 hours remaining, 238.968750 MB of memory in use. ENERGY: 1744200 3961.9986 20406.6148 14423.6266 260.5248 -203835.3784 2751.8053 0.0000 0.0000 52125.9559 -109904.8524 299.5686 -162030.8083 -109544.1558 298.9027 11.1623 42.6398 760775.4007 -2.4892 -2.5486 LDB: ============= START OF LOAD BALANCING ============== 5569.21 LDB: ============== END OF LOAD BALANCING =============== 5569.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5569.21 LDB: ============= START OF LOAD BALANCING ============== 5569.54 LDB: Largest compute 7060 load 0.040791 is 20.9% of average load 0.195018 LDB: Average compute 0.004430 is 2.3% of average load 0.195018 LDB: TIME 5569.54 LOAD: AVG 0.195018 MAX 0.214676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.992 MB LDB: TIME 5569.54 LOAD: AVG 0.195018 MAX 0.214676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: TIME 5569.54 LOAD: AVG 0.195018 MAX 0.214676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: ============== END OF LOAD BALANCING =============== 5569.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5569.55 PRESSURE: 1744400 213.848 -5.01252 -46.6504 -5.01204 86.8804 -87.5576 -46.651 -87.5582 344.309 GPRESSURE: 1744400 214.873 -1.20157 39.3712 -55.6493 83.4962 -145.859 -20.3269 -229.48 415.831 PRESSAVG: 1744400 74.0667 7.18349 -2.35322 7.1835 -68.7809 41.9945 -2.35328 41.9945 9.29782 GPRESSAVG: 1744400 73.2173 6.71216 -3.3797 8.08852 -68.5701 39.7491 -2.31725 42.5032 9.70348 TIMING: 1744400 CPU: 5557.41, 0.00329496/step Wall: 5557.41, 0.00329496/step, 2.97974 hours remaining, 240.503906 MB of memory in use. ENERGY: 1744400 3895.6995 20457.7158 14390.2761 248.2494 -203889.6234 2970.9853 0.0000 0.0000 51989.5419 -109937.1555 298.7846 -161926.6974 -109574.8335 298.4421 215.0126 238.0667 761258.4150 4.8612 4.7836 PRESSURE: 1744600 -105.059 -205.68 288.303 -205.68 -233.139 74.5582 288.304 74.5578 -203.384 GPRESSURE: 1744600 -129.168 -340.086 295.042 -226.359 -98.2527 115.372 270.671 133.754 -223.13 PRESSAVG: 1744600 31.6664 5.56766 8.67493 5.56759 -20.5011 -10.0969 8.67491 -10.0969 6.29191 GPRESSAVG: 1744600 33.2403 5.09127 9.38749 6.61342 -21.6161 -8.72191 8.31779 -11.0202 6.33154 TIMING: 1744600 CPU: 5558.06, 0.0032393/step Wall: 5558.06, 0.0032393/step, 2.92923 hours remaining, 240.503906 MB of memory in use. ENERGY: 1744600 4123.5928 20551.4770 14382.0008 232.2200 -203834.4916 2746.1333 0.0000 0.0000 52021.2026 -109777.8651 298.9666 -161799.0677 -109417.1708 298.7894 -180.5274 -150.1836 762514.1281 5.8191 5.9852 PRESSURE: 1744800 32.9469 -252.364 176.199 -252.364 -100.343 52.2173 176.199 52.2164 11.9015 GPRESSURE: 1744800 73.4461 -281.087 152.463 -252.27 -17.9358 85.6057 114.225 90.0524 -38.4291 PRESSAVG: 1744800 -33.4452 -80.1691 8.0827 -80.1691 23.9614 62.3262 8.08268 62.3262 -2.83239 GPRESSAVG: 1744800 -33.3679 -80.3328 8.99636 -80.7782 24.6792 60.953 7.83333 64.3686 -4.15271 TIMING: 1744800 CPU: 5558.7, 0.00318944/step Wall: 5558.7, 0.00318944/step, 2.88396 hours remaining, 240.503906 MB of memory in use. ENERGY: 1744800 4018.0446 20585.2836 14431.1661 252.9065 -203698.0496 2670.6455 0.0000 0.0000 52099.7720 -109640.2314 299.4181 -161740.0033 -109280.3898 299.1978 -18.4983 5.6937 762145.1548 -4.1054 -4.2805 PRESSURE: 1745000 -496.666 -79.7761 -80.5335 -79.7768 263.462 -87.6607 -80.5334 -87.6599 -200.469 GPRESSURE: 1745000 -400.336 -61.7577 -124.458 17.7504 256.548 -59.7813 25.7701 -92.2696 -190.427 PRESSAVG: 1745000 -36.2407 -17.9187 3.51967 -17.9187 20.6001 16.1112 3.51976 16.1113 12.0757 GPRESSAVG: 1745000 -37.141 -17.4568 2.43977 -16.8566 19.9822 15.7315 1.45378 15.5932 13.6624 TIMING: 1745000 CPU: 5559.34, 0.00319658/step Wall: 5559.34, 0.00319657/step, 2.89024 hours remaining, 240.503906 MB of memory in use. ENERGY: 1745000 3921.1226 20521.4635 14472.1930 261.1142 -203310.8395 2547.7177 0.0000 0.0000 51710.4800 -109876.7485 297.1808 -161587.2285 -109515.3151 298.6000 -144.5578 -111.4049 763230.8291 -1.1883 -1.1655 PRESSURE: 1745200 283.306 -12.9253 -199.278 -12.9254 187.502 92.695 -199.279 92.695 479.99 GPRESSURE: 1745200 268.973 84.7853 -220.876 3.49377 202.952 40.0324 -151.248 -74.6986 567.414 PRESSAVG: 1745200 37.7402 -34.3214 -9.50914 -34.3215 -32.0053 3.39383 -9.50922 3.39381 14.7648 GPRESSAVG: 1745200 38.2372 -32.8305 -9.90875 -34.7249 -32.1723 4.8761 -6.85402 0.602155 14.6147 TIMING: 1745200 CPU: 5559.98, 0.00323472/step Wall: 5559.98, 0.00323472/step, 2.92455 hours remaining, 240.503906 MB of memory in use. ENERGY: 1745200 4031.9554 20448.9966 14414.6541 251.8362 -203962.2348 2955.5407 0.0000 0.0000 52119.2679 -109739.9839 299.5301 -161859.2518 -109384.4336 298.9313 316.9325 346.4460 758983.1626 6.8332 6.8932 PRESSURE: 1745400 -230.433 87.6381 -133.632 87.6391 -32.3721 -29.4555 -133.632 -29.4537 -453.531 GPRESSURE: 1745400 -185.45 115.854 -135.74 -126.943 18.2735 -12.4595 -68.9271 -31.6843 -474.709 PRESSAVG: 1745400 18.6986 -58.2697 -92.2689 -58.2697 4.97729 19.606 -92.2689 19.6061 -2.05193 GPRESSAVG: 1745400 17.9669 -61.2499 -91.991 -57.7086 4.73953 18.1148 -92.1102 21.8027 -2.16889 TIMING: 1745400 CPU: 5560.63, 0.00320496/step Wall: 5560.63, 0.00320496/step, 2.89746 hours remaining, 240.503906 MB of memory in use. ENERGY: 1745400 3918.0631 20591.4078 14371.6266 257.3186 -203301.7138 2323.7957 0.0000 0.0000 52089.3920 -109750.1100 299.3585 -161839.5021 -109374.4001 299.3651 -238.7785 -213.9619 761151.4942 7.2080 6.8459 PRESSURE: 1745600 -29.1194 184.818 -233.071 184.818 -145.84 -23.821 -233.071 -23.8203 -206.9 GPRESSURE: 1745600 7.68026 207.534 -221.24 171.418 -204.57 -49.0757 -93.9596 46.2497 -95.4855 PRESSAVG: 1745600 36.7936 -52.5069 -7.89929 -52.5071 -33.3326 15.5088 -7.89925 15.5088 4.67881 GPRESSAVG: 1745600 36.4403 -52.2449 -6.94309 -53.0203 -33.4804 15.0238 -8.94528 14.6174 5.14431 TIMING: 1745600 CPU: 5561.26, 0.00318301/step Wall: 5561.26, 0.00318301/step, 2.87744 hours remaining, 240.503906 MB of memory in use. ENERGY: 1745600 3921.2090 20488.2958 14333.4605 252.6198 -203056.5765 2307.2545 0.0000 0.0000 52318.5453 -109435.1916 300.6754 -161753.7368 -109069.5503 299.4742 -127.2866 -97.4583 762315.3589 2.7133 2.7014 PRESSURE: 1745800 -79.8744 128.841 310.509 128.84 -77.9898 -30.2641 310.509 -30.2636 188.208 GPRESSURE: 1745800 -49.8374 47.1245 268.176 149.562 -97.2252 64.7815 188.94 -109.491 275.297 PRESSAVG: 1745800 -12.895 -42.6998 -29.8879 -42.6998 25.9344 -14.7402 -29.8879 -14.7402 -8.35146 GPRESSAVG: 1745800 -12.5584 -41.554 -30.0638 -43.849 26.3238 -12.0651 -28.9767 -14.3076 -8.81238 TIMING: 1745800 CPU: 5561.9, 0.00318153/step Wall: 5561.9, 0.00318153/step, 2.87593 hours remaining, 240.503906 MB of memory in use. ENERGY: 1745800 3956.4141 20573.6096 14432.3214 259.8657 -203275.3371 2730.4500 0.0000 0.0000 51862.1790 -109460.4973 298.0527 -161322.6763 -109102.1998 299.5763 10.1147 42.7447 762320.8898 1.5627 1.6510 PRESSURE: 1746000 -468.782 -59.7816 24.2444 -59.7814 -49.9132 126.683 24.2444 126.682 -530.297 GPRESSURE: 1746000 -379.566 -13.1472 55.9253 -146.071 -134.264 189.392 24.8987 44.1026 -437.838 PRESSAVG: 1746000 4.24249 -29.1094 50.2172 -29.1094 13.7281 -9.20155 50.2172 -9.20154 -4.45197 GPRESSAVG: 1746000 4.65825 -30.8848 50.4363 -28.7765 12.7488 -9.75865 46.9311 -11.7438 -3.96688 TIMING: 1746000 CPU: 5562.54, 0.00318936/step Wall: 5562.54, 0.00318936/step, 2.88283 hours remaining, 240.503906 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: 1746000 3998.5664 20497.0971 14504.4453 249.2125 -203299.6437 2459.4071 0.0000 0.0000 52046.0963 -109544.8191 299.1096 -161590.9153 -109174.1485 299.4819 -349.6641 -317.2229 761361.3944 4.5062 4.4800 PRESSURE: 1746200 -81.9804 -129.706 -136.466 -129.706 70.1926 -379.92 -136.467 -379.92 238.043 GPRESSURE: 1746200 -14.9403 -100.903 -95.218 -1.02662 126.426 -294.86 -115.9 -331.95 191.276 PRESSAVG: 1746200 38.5274 -11.8747 -69.0553 -11.8747 -32.9468 3.58996 -69.0552 3.58982 11.0328 GPRESSAVG: 1746200 38.5877 -11.7161 -70.9381 -7.80047 -32.4166 4.63722 -66.5158 5.06045 10.2895 TIMING: 1746200 CPU: 5563.17, 0.00319328/step Wall: 5563.17, 0.00319328/step, 2.8862 hours remaining, 240.503906 MB of memory in use. ENERGY: 1746200 4007.3092 20389.6704 14402.3091 235.2102 -203405.4297 2675.8842 0.0000 0.0000 52148.1000 -109546.9467 299.6958 -161695.0467 -109189.6162 299.4819 75.4184 100.9208 760435.0188 5.5378 5.4869 PRESSURE: 1746400 182.405 110.84 -227.536 110.84 -90.6243 33.0343 -227.536 33.0356 287.188 GPRESSURE: 1746400 212.005 -61.494 -195.314 163.824 -75.6601 19.5438 -207.512 52.7683 337.823 PRESSAVG: 1746400 9.39451 -33.0966 -67.7768 -33.0966 -37.3294 -10.2815 -67.7767 -10.2816 -28.8005 GPRESSAVG: 1746400 9.70359 -31.5699 -65.7831 -35.9551 -37.12 -11.8469 -66.8953 -7.29716 -28.8382 TIMING: 1746400 CPU: 5563.82, 0.00322126/step Wall: 5563.82, 0.00322126/step, 2.91131 hours remaining, 240.503906 MB of memory in use. ENERGY: 1746400 3980.6257 20524.0249 14419.7219 245.8042 -203938.7597 2960.9971 0.0000 0.0000 52264.0937 -109543.4923 300.3625 -161807.5860 -109179.5989 299.4718 126.3229 158.0560 760886.5402 -18.9118 -18.7515 PRESSURE: 1746600 276.922 61.8678 157.899 61.8678 125.354 51.003 157.899 51.0022 405.963 GPRESSURE: 1746600 269.115 67.1178 151.979 100.202 165.647 83.6539 107.778 -17.3067 450.97 PRESSAVG: 1746600 19.6235 39.6877 -18.4203 39.6878 -6.94259 44.1665 -18.4203 44.1664 -7.87077 GPRESSAVG: 1746600 17.6465 39.7469 -18.8118 38.0049 -6.46799 44.0526 -17.4664 41.5441 -6.86123 TIMING: 1746600 CPU: 5564.46, 0.00319955/step Wall: 5564.46, 0.00319955/step, 2.89151 hours remaining, 240.503906 MB of memory in use. ENERGY: 1746600 3986.1136 20394.9664 14410.9513 254.2557 -203933.0048 3169.5621 0.0000 0.0000 52136.2359 -109580.9198 299.6277 -161717.1558 -109213.8219 299.5175 269.4129 295.2438 761975.6024 1.6034 1.4391 PRESSURE: 1746800 -191.24 50.6523 231.233 50.6526 95.5081 -158.64 231.233 -158.641 -220.989 GPRESSURE: 1746800 -102.826 122.442 227.376 66.9994 52.0713 -117.503 91.1232 19.737 -177.007 PRESSAVG: 1746800 38.7689 10.5815 -16.9565 10.5815 -28.7025 5.05944 -16.9567 5.05938 17.9335 GPRESSAVG: 1746800 41.5615 10.4069 -15.7898 12.6535 -30.3523 6.22473 -18.7238 4.09154 17.1819 TIMING: 1746800 CPU: 5565.1, 0.00320114/step Wall: 5565.1, 0.00320114/step, 2.89277 hours remaining, 240.503906 MB of memory in use. ENERGY: 1746800 3971.7520 20650.2251 14401.6979 257.8799 -203518.5158 2315.4176 0.0000 0.0000 52159.8405 -109761.7028 299.7633 -161921.5433 -109396.2768 299.1878 -105.5735 -75.9206 759577.0472 9.3333 9.4637 PRESSURE: 1747000 -75.5869 106.056 -23.9137 106.056 -43.6329 227.143 -23.9131 227.142 46.1336 GPRESSURE: 1747000 92.8383 22.4793 -9.91074 33.6518 -152.146 222.147 -41.1932 181.122 72.9481 PRESSAVG: 1747000 20.1157 -40.7373 -27.7956 -40.7374 -39.1199 14.8306 -27.7955 14.8306 -13.4878 GPRESSAVG: 1747000 19.6978 -41.826 -28.9907 -40.0748 -38.0872 14.4905 -28.5578 15.3601 -13.3712 TIMING: 1747000 CPU: 5565.74, 0.00320752/step Wall: 5565.74, 0.00320752/step, 2.89835 hours remaining, 240.503906 MB of memory in use. ENERGY: 1747000 3962.7796 20435.4220 14520.0812 275.2981 -203473.3326 2471.9973 0.0000 0.0000 52231.6140 -109576.1404 300.1758 -161807.7544 -109205.3729 299.3420 -24.3621 4.5466 760440.3569 -10.8307 -10.5869 PRESSURE: 1747200 85.7834 -18.7536 -48.8307 -18.7536 511.192 14.7657 -48.8309 14.7671 -363.668 GPRESSURE: 1747200 194.131 42.2885 -0.224902 -49.7415 494.17 -15.3702 40.1213 -1.62342 -374.998 PRESSAVG: 1747200 36.5563 -73.6679 -32.0964 -73.6679 -57.5467 -4.26685 -32.0963 -4.26682 25.073 GPRESSAVG: 1747200 36.7053 -71.4249 -34.1002 -75.5926 -57.2391 -4.14703 -30.1363 -3.68674 24.8751 TIMING: 1747200 CPU: 5566.38, 0.00320762/step Wall: 5566.38, 0.00320762/step, 2.89827 hours remaining, 240.503906 MB of memory in use. ENERGY: 1747200 3961.6460 20425.1036 14473.7709 237.4381 -203687.8267 2654.3953 0.0000 0.0000 51977.5136 -109957.9593 298.7155 -161935.4729 -109598.6918 299.0107 77.7691 104.4343 758270.1091 1.3609 1.4471 PRESSURE: 1747400 -229.121 -12.7253 65.5973 -12.725 -41.1047 83.4842 65.5972 83.4847 30.2866 GPRESSURE: 1747400 -131.686 -91.9876 5.32589 10.278 -75.6917 124.12 24.6515 65.0086 17.2987 PRESSAVG: 1747400 33.8341 2.82885 3.70144 2.82883 -39.5654 18.8536 3.70142 18.8537 8.35531 GPRESSAVG: 1747400 33.9946 2.05058 4.81327 4.7877 -40.4718 18.6766 3.59439 19.1521 9.13956 TIMING: 1747400 CPU: 5567.02, 0.00319852/step Wall: 5567.02, 0.00319852/step, 2.88986 hours remaining, 240.503906 MB of memory in use. ENERGY: 1747400 3923.0174 20455.8828 14373.2993 248.4602 -203566.9287 2582.2826 0.0000 0.0000 52100.4992 -109883.4874 299.4223 -161983.9865 -109514.6359 298.7774 -79.9796 -63.3595 759570.0530 0.8747 0.8874 PRESSURE: 1747600 -378.298 88.1335 -136.665 88.1333 -75.4789 -9.74022 -136.665 -9.74152 186.039 GPRESSURE: 1747600 -357.328 24.73 -123.376 71.5619 19.4387 -32.2722 -74.843 -3.00468 158.435 PRESSAVG: 1747600 20.1002 -25.3933 21.2869 -25.3934 -21.3095 26.8377 21.2869 26.8377 21.2821 GPRESSAVG: 1747600 20.4216 -26.9374 21.2702 -25.7727 -20.778 27.6897 19.5417 26.4798 21.0985 TIMING: 1747600 CPU: 5567.66, 0.00318972/step Wall: 5567.66, 0.00318972/step, 2.88173 hours remaining, 240.503906 MB of memory in use. ENERGY: 1747600 3941.6142 20537.7723 14479.0105 248.3494 -203477.1853 2297.2206 0.0000 0.0000 51978.2825 -109994.9357 298.7199 -161973.2181 -109632.3737 298.5802 -89.2459 -59.8181 758809.3935 6.6909 6.9140 PRESSURE: 1747800 37.1032 -203.732 -94.4277 -203.732 -3.67438 202.387 -94.4288 202.387 182.342 GPRESSURE: 1747800 71.7632 -247.682 -172.52 -157.146 39.4269 187.619 -159.66 267.058 172.375 PRESSAVG: 1747800 8.49224 -76.5047 12.0901 -76.5047 11.071 55.2363 12.0901 55.2362 -17.8383 GPRESSAVG: 1747800 9.03192 -75.4861 13.6708 -78.5605 11.0789 54.4482 13.605 56.259 -18.2931 TIMING: 1747800 CPU: 5568.3, 0.00319018/step Wall: 5568.3, 0.00319018/step, 2.88197 hours remaining, 240.503906 MB of memory in use. ENERGY: 1747800 3989.8888 20508.8537 14396.9517 250.7618 -203898.3977 2668.0095 0.0000 0.0000 52181.7822 -109902.1501 299.8894 -162083.9322 -109546.9111 298.9211 71.9237 94.5218 759418.3135 0.5750 0.6059 PRESSURE: 1748000 72.976 123.596 16.6787 123.596 -200.993 21.2298 16.6786 21.2304 343.144 GPRESSURE: 1748000 232.701 62.7232 57.9376 31.0946 -232.424 20.1885 38.479 -54.9217 283.712 PRESSAVG: 1748000 9.63397 -108.358 26.1215 -108.358 -13.5185 57.6903 26.1215 57.6903 2.9506 GPRESSAVG: 1748000 8.58517 -108.365 25.8617 -108.14 -12.5274 56.3623 25.7826 58.1353 2.69022 TIMING: 1748000 CPU: 5568.93, 0.00316951/step Wall: 5568.93, 0.00316951/step, 2.86312 hours remaining, 240.503906 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: 1748000 3977.9101 20497.8933 14495.4276 221.5429 -203279.7419 2397.1613 0.0000 0.0000 51843.3452 -109846.4614 297.9444 -161689.8067 -109491.7624 298.9728 71.7088 94.6630 759151.9121 -0.3113 -0.4173 PRESSURE: 1748200 305.967 241.685 8.89324 241.685 144.496 124.793 8.89336 124.794 109.538 GPRESSURE: 1748200 358.171 234.188 67.96 204.046 170.971 37.5966 -42.9453 40.2307 116.379 PRESSAVG: 1748200 15.1501 -25.3571 3.09698 -25.3571 -62.4541 -20.5013 3.097 -20.5014 11.8398 GPRESSAVG: 1748200 16.1371 -25.5413 3.18563 -25.726 -63.8637 -21.2933 4.19748 -19.3162 12.4122 TIMING: 1748200 CPU: 5569.57, 0.00319136/step Wall: 5569.57, 0.00319136/step, 2.88269 hours remaining, 240.503906 MB of memory in use. ENERGY: 1748200 3956.3712 20603.8396 14407.0625 254.8951 -203693.2908 2862.1055 0.0000 0.0000 52129.1861 -109479.8308 299.5871 -161609.0169 -109120.1781 298.9669 186.6669 215.1737 760735.1919 -11.8214 -11.7715 LDB: ============= START OF LOAD BALANCING ============== 5582.03 LDB: ============== END OF LOAD BALANCING =============== 5582.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.03 LDB: ============= START OF LOAD BALANCING ============== 5582.35 LDB: Largest compute 7034 load 0.035863 is 18.4% of average load 0.195160 LDB: Average compute 0.004424 is 2.3% of average load 0.195160 LDB: TIME 5582.35 LOAD: AVG 0.19516 MAX 0.215884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.48 MB LDB: TIME 5582.35 LOAD: AVG 0.19516 MAX 0.215884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: TIME 5582.35 LOAD: AVG 0.19516 MAX 0.215884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.48 MB LDB: ============== END OF LOAD BALANCING =============== 5582.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.36 PRESSURE: 1748400 -244.295 -18.5616 -1.72726 -18.5615 95.9921 16.414 -1.72753 16.4143 -5.49175 GPRESSURE: 1748400 -203.511 -6.08403 -41.0323 -1.35772 159.314 -103.088 34.6105 64.0478 2.04484 PRESSAVG: 1748400 2.44625 -11.1509 -55.3273 -11.151 3.34611 -23.4853 -55.3274 -23.4854 8.51693 GPRESSAVG: 1748400 1.02334 -9.92864 -55.4013 -11.6378 4.75993 -24.148 -57.6726 -21.7923 8.49577 TIMING: 1748400 CPU: 5570.23, 0.00328175/step Wall: 5570.23, 0.00328175/step, 2.96415 hours remaining, 240.320312 MB of memory in use. ENERGY: 1748400 3902.1825 20496.8827 14360.0827 239.9496 -203329.9087 2402.9983 0.0000 0.0000 52219.6391 -109708.1739 300.1070 -161927.8130 -109340.3932 299.4590 -51.2651 -14.0509 758444.4144 4.7698 4.7597 PRESSURE: 1748600 -203.667 118.706 1.91201 118.706 -244.662 135.321 1.91214 135.323 -185.409 GPRESSURE: 1748600 -176.298 45.0482 -61.5236 150.085 -210.036 136.596 107.055 159.191 -168.23 PRESSAVG: 1748600 -17.9574 8.48956 11.1875 8.48953 13.7083 -9.68615 11.1875 -9.68613 9.4198 GPRESSAVG: 1748600 -16.5181 8.43704 9.44372 10.3694 12.8281 -7.02243 15.0653 -15.1857 8.82197 TIMING: 1748600 CPU: 5570.87, 0.0032134/step Wall: 5570.87, 0.0032134/step, 2.90224 hours remaining, 240.320312 MB of memory in use. ENERGY: 1748600 3980.0425 20418.1796 14437.3942 246.5932 -203497.7710 2653.0678 0.0000 0.0000 52002.9751 -109759.5187 298.8618 -161762.4937 -109388.2968 298.9333 -211.2458 -184.8549 759968.8872 1.7236 1.7107 PRESSURE: 1748800 -62.9898 35.4828 -309.127 35.4827 -187.033 -203.431 -309.128 -203.432 117.634 GPRESSURE: 1748800 15.1754 21.7183 -305.248 -11.5666 -150.625 -250.69 -131.48 -66.4775 82.6685 PRESSAVG: 1748800 51.5534 32.7984 -14.8914 32.7984 -53.9084 25.4504 -14.8913 25.4505 -12.5688 GPRESSAVG: 1748800 50.5106 30.9665 -13.567 32.3385 -53.0333 26.5425 -17.5742 25.5571 -13.1304 TIMING: 1748800 CPU: 5571.51, 0.00318223/step Wall: 5571.51, 0.00318223/step, 2.87391 hours remaining, 240.320312 MB of memory in use. ENERGY: 1748800 4086.8010 20428.4219 14486.3971 237.3540 -203765.9114 2812.7688 0.0000 0.0000 52008.6893 -109705.4793 298.8947 -161714.1686 -109344.3255 298.8705 -44.1299 -17.5938 760099.8344 -4.9746 -5.2177 PRESSURE: 1749000 -49.3334 217.893 -40.188 217.893 -158.641 49.2764 -40.1878 49.2747 50.9112 GPRESSURE: 1749000 48.1856 207.848 -75.5979 234.549 -157.929 93.336 -131.779 30.2669 44.1989 PRESSAVG: 1749000 39.6967 29.0991 -17.1034 29.0992 -65.3027 18.9004 -17.1034 18.9004 -3.68752 GPRESSAVG: 1749000 41.6503 30.172 -18.0453 27.8079 -67.8126 17.0325 -15.112 22.5902 -2.61892 TIMING: 1749000 CPU: 5572.15, 0.00319981/step Wall: 5572.15, 0.00319981/step, 2.88961 hours remaining, 240.320312 MB of memory in use. ENERGY: 1749000 4062.1703 20443.6365 14424.6800 234.8963 -203097.7320 2512.4392 0.0000 0.0000 51798.6395 -109621.2702 297.6875 -161419.9097 -109259.8133 298.5152 -52.3543 -21.8482 761232.7316 -9.7645 -9.5937 PRESSURE: 1749200 -304.021 -142.994 129.889 -142.994 -196.594 91.6221 129.889 91.6224 -138.123 GPRESSURE: 1749200 -256.498 -126.5 109.434 -95.7576 -173.753 179.679 248.231 -0.222786 -121.268 PRESSAVG: 1749200 9.86812 -28.4496 28.3692 -28.4496 -74.8023 15.621 28.3692 15.621 -1.51985 GPRESSAVG: 1749200 10.3747 -28.4223 30.368 -28.1761 -74.0211 16.6725 26.6839 13.5909 -2.26529 TIMING: 1749200 CPU: 5572.78, 0.00317535/step Wall: 5572.78, 0.00317535/step, 2.86734 hours remaining, 240.320312 MB of memory in use. ENERGY: 1749200 4010.8326 20507.3014 14374.0181 266.4011 -203514.9281 2640.2208 0.0000 0.0000 52009.3637 -109706.7905 298.8985 -161716.1542 -109347.4232 298.2634 -212.9126 -183.8397 761169.0390 -22.1513 -21.9706 PRESSURE: 1749400 8.9711 50.2583 -133.996 50.2586 35.422 99.1542 -133.996 99.1544 201.069 GPRESSURE: 1749400 68.3999 75.642 -170.637 93.8047 44.7477 147.717 -151.425 169.215 213.813 PRESSAVG: 1749400 47.4605 -51.3023 -30.2468 -51.3023 -2.9778 2.7649 -30.2468 2.76487 -0.718362 GPRESSAVG: 1749400 45.4434 -51.6875 -31.4734 -49.6536 -1.35638 1.07391 -28.2593 3.62657 -0.571722 TIMING: 1749400 CPU: 5573.42, 0.00317935/step Wall: 5573.42, 0.00317935/step, 2.87078 hours remaining, 240.320312 MB of memory in use. ENERGY: 1749400 3947.9559 20521.1761 14449.9147 239.7409 -203331.9760 2489.7535 0.0000 0.0000 52037.7187 -109645.7162 299.0615 -161683.4349 -109293.4185 298.7600 81.8207 108.9870 759550.3588 14.5881 14.5051 PRESSURE: 1749600 -131.015 -75.4898 66.6192 -75.4902 -212.52 -338.943 66.6194 -338.943 -174.168 GPRESSURE: 1749600 -160.977 -41.829 36.7283 69.0586 -148.664 -234.932 94.7607 -402.431 -123.823 PRESSAVG: 1749600 -0.349669 -35.4281 -28.9315 -35.4281 3.3022 -1.22599 -28.9315 -1.22608 -24.2832 GPRESSAVG: 1749600 0.3896 -33.4018 -27.9749 -35.8456 2.58502 0.860717 -30.6104 -2.19221 -23.6833 TIMING: 1749600 CPU: 5574.05, 0.0031906/step Wall: 5574.05, 0.0031906/step, 2.88075 hours remaining, 240.320312 MB of memory in use. ENERGY: 1749600 4047.1985 20491.8321 14412.6890 245.3529 -203159.8629 2337.5762 0.0000 0.0000 52028.0105 -109597.2037 299.0057 -161625.2142 -109228.8238 299.0711 -172.5676 -144.4880 761372.3583 -7.1102 -6.9029 PRESSURE: 1749800 -90.4521 59.943 -40.6089 59.9423 -95.8523 22.8694 -40.6078 22.8694 172.289 GPRESSURE: 1749800 -9.09079 68.5081 -66.456 45.8041 -60.2156 12.2391 -51.1358 59.1872 144.701 PRESSAVG: 1749800 56.9279 0.16489 6.94061 0.164925 -13.8756 -2.05546 6.94068 -2.05547 10.9065 GPRESSAVG: 1749800 56.3178 -1.69688 5.82729 -1.30344 -13.6082 -0.972347 8.47575 0.391915 10.6819 TIMING: 1749800 CPU: 5574.7, 0.00321665/step Wall: 5574.7, 0.00321665/step, 2.9041 hours remaining, 240.320312 MB of memory in use. ENERGY: 1749800 4046.8510 20380.0764 14462.5812 263.4340 -203658.4174 2688.8630 0.0000 0.0000 52021.7114 -109794.9004 298.9695 -161816.6118 -109432.7326 299.0909 -4.6718 25.1316 758851.8880 17.9862 17.7971 PRESSURE: 1750000 302.069 -217.295 12.5387 -217.294 -62.8819 46.3679 12.5388 46.3676 302.167 GPRESSURE: 1750000 260.502 -45.3214 -63.9517 -316.611 39.5906 -20.7683 -60.2101 16.9351 340.791 PRESSAVG: 1750000 77.5546 -7.78882 -54.8133 -7.78883 -107.405 -20.9071 -54.8133 -20.907 4.67714 GPRESSAVG: 1750000 79.0371 -6.01452 -53.9698 -7.26724 -108.32 -22.4574 -57.4086 -24.0706 4.3545 TIMING: 1750000 CPU: 5575.33, 0.00318425/step Wall: 5575.33, 0.00318425/step, 2.87467 hours remaining, 240.320312 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: 1750000 3981.0770 20431.9335 14464.5627 262.4282 -203367.8600 2606.9848 0.0000 0.0000 52059.6411 -109561.2327 299.1875 -161620.8738 -109202.3329 299.0108 180.4514 213.6278 759843.8424 -8.3909 -8.3096 PRESSURE: 1750200 352.529 176.642 173.878 176.642 -168.108 -86.1129 173.879 -86.113 140.007 GPRESSURE: 1750200 229.524 24.7116 199.089 133.841 -26.7125 -93.4119 173.046 3.08987 192.877 PRESSAVG: 1750200 38.5274 -57.3008 28.6345 -57.3007 -16.6802 17.5602 28.6344 17.5602 -2.65767 GPRESSAVG: 1750200 36.6956 -58.3478 27.6635 -56.813 -15.215 16.652 29.7972 16.6557 -1.82257 TIMING: 1750200 CPU: 5575.97, 0.00316018/step Wall: 5575.97, 0.00316018/step, 2.85277 hours remaining, 240.320312 MB of memory in use. ENERGY: 1750200 3934.7910 20689.1536 14482.2290 250.3364 -203691.3014 2640.9795 0.0000 0.0000 52247.6721 -109446.1399 300.2681 -161693.8120 -109082.7058 299.3731 108.1429 131.8962 760480.7182 6.3965 6.5527 PRESSURE: 1750400 -212.084 372.942 6.85271 372.943 -341.088 -159.985 6.85172 -159.985 -548.482 GPRESSURE: 1750400 -207.904 273.978 -0.0544198 264.993 -305.982 -240.695 90.7225 -96.5911 -500.288 PRESSAVG: 1750400 -10.9162 -19.9072 6.43996 -19.9073 -24.0707 -28.4193 6.43998 -28.4193 -10.5031 GPRESSAVG: 1750400 -9.72387 -21.0922 10.0048 -20.4669 -23.9624 -27.8705 6.74021 -25.1173 -11.7687 TIMING: 1750400 CPU: 5576.6, 0.00315858/step Wall: 5576.6, 0.00315858/step, 2.85115 hours remaining, 240.320312 MB of memory in use. ENERGY: 1750400 3947.7356 20535.0129 14466.5113 250.3444 -202899.3057 2079.4684 0.0000 0.0000 52195.2037 -109425.0296 299.9666 -161620.2332 -109048.7119 299.5613 -367.2179 -338.0581 762429.2029 -15.1633 -15.1516 PRESSURE: 1750600 285.844 -83.1813 -78.6884 -83.1811 190.021 98.0179 -78.689 98.0186 454.237 GPRESSURE: 1750600 360.44 29.6068 -157.303 33.4662 219.542 77.8803 -31.9662 59.576 449.471 PRESSAVG: 1750600 10.6873 -8.44489 10.5193 -8.44483 -21.3303 -17.5218 10.5194 -17.5218 6.60752 GPRESSAVG: 1750600 10.1122 -6.68118 7.80792 -8.55407 -20.332 -16.8678 11.3496 -19.164 6.78875 TIMING: 1750600 CPU: 5577.23, 0.0031675/step Wall: 5577.23, 0.00316749/step, 2.85902 hours remaining, 240.320312 MB of memory in use. ENERGY: 1750600 3990.2783 20698.6988 14477.5603 265.9619 -203383.9201 2559.5924 0.0000 0.0000 52039.5590 -109352.2694 299.0721 -161391.8284 -108993.2549 299.2505 310.0339 343.1507 759164.0587 -1.3452 -1.1437 PRESSURE: 1750800 164.963 11.9648 162.474 11.964 -227.988 86.3113 162.475 86.3134 -385.674 GPRESSURE: 1750800 153.448 66.4707 218.394 5.77394 -92.2043 48.3041 99.3197 181.72 -432.294 PRESSAVG: 1750800 -19.0502 12.0476 22.1211 12.0476 17.086 15.4099 22.121 15.4099 -5.76104 GPRESSAVG: 1750800 -18.5002 14.4159 21.5916 10.944 16.2061 15.8564 21.9339 16.9711 -5.75806 TIMING: 1750800 CPU: 5577.87, 0.00318663/step Wall: 5577.87, 0.00318663/step, 2.87611 hours remaining, 240.320312 MB of memory in use. ENERGY: 1750800 4012.7443 20493.5675 14532.0167 235.4360 -203282.9072 2457.7156 0.0000 0.0000 52209.1426 -109342.2845 300.0467 -161551.4271 -108986.3620 299.3164 -149.5665 -123.6836 759532.4959 -2.5751 -2.6841 PRESSURE: 1751000 -47.0357 153.629 29.3721 153.631 -267.228 -16.0481 29.372 -16.048 -127.873 GPRESSURE: 1751000 46.2644 132.031 -39.8867 84.2366 -232.48 -111.954 88.8418 2.26237 -168.183 PRESSAVG: 1751000 39.1137 54.8918 -18.6145 54.8917 5.48483 -29.0722 -18.6145 -29.0721 14.1143 GPRESSAVG: 1751000 40.927 51.1319 -18.7086 57.3982 4.29646 -30.6727 -18.892 -29.5706 13.6474 TIMING: 1751000 CPU: 5578.5, 0.00317686/step Wall: 5578.5, 0.00317686/step, 2.86712 hours remaining, 240.320312 MB of memory in use. ENERGY: 1751000 4012.7228 20529.8233 14440.1370 252.4765 -203266.0585 2572.9274 0.0000 0.0000 52163.6375 -109294.3339 299.7851 -161457.9715 -108929.0500 299.5819 -147.3786 -118.1328 760133.5661 19.5709 19.6236 PRESSURE: 1751200 -271.683 -127.842 24.5596 -127.842 -206.575 96.2861 24.5598 96.2849 -170.211 GPRESSURE: 1751200 -191.256 -265.019 66.9877 -70.3823 -104.184 140.654 28.8895 -16.5908 -267.354 PRESSAVG: 1751200 47.231 -16.496 -0.389844 -16.496 -43.521 -41.6842 -0.389842 -41.6841 4.56719 GPRESSAVG: 1751200 45.3362 -16.2569 0.845939 -18.2953 -42.4774 -39.0857 0.4905 -44.043 5.1905 TIMING: 1751200 CPU: 5579.14, 0.00316761/step Wall: 5579.14, 0.00316761/step, 2.8586 hours remaining, 240.320312 MB of memory in use. ENERGY: 1751200 4010.4299 20534.3024 14474.3482 251.9563 -203681.9263 2590.4410 0.0000 0.0000 52399.5042 -109420.9443 301.1407 -161820.4485 -109075.9976 300.3318 -216.1564 -187.5981 759951.6598 2.7590 2.6831 PRESSURE: 1751400 -65.8075 -170.274 -68.4711 -170.273 -2.22912 67.3537 -68.4709 67.3537 257.443 GPRESSURE: 1751400 67.769 -201.847 -46.8 -201.828 -10.359 -2.73657 -128.453 99.2744 235.621 PRESSAVG: 1751400 52.7102 -23.1818 18.8244 -23.1819 -24.745 -24.9471 18.8244 -24.9471 12.0562 GPRESSAVG: 1751400 53.8448 -21.4532 17.7299 -23.0783 -25.8489 -25.9825 16.4633 -24.1799 12.3 TIMING: 1751400 CPU: 5579.77, 0.00316046/step Wall: 5579.77, 0.00316046/step, 2.85196 hours remaining, 240.320312 MB of memory in use. ENERGY: 1751400 4045.8334 20349.6968 14483.4588 253.7093 -203447.7053 2612.4672 0.0000 0.0000 52023.6879 -109678.8521 298.9808 -161702.5400 -109318.9268 299.6471 63.1354 97.6769 760151.9779 13.3405 13.4319 PRESSURE: 1751600 -161.076 72.6226 5.68643 72.6226 -64.9948 -189.328 5.68654 -189.328 19.8293 GPRESSURE: 1751600 -67.6313 45.0745 -30.1614 22.7788 -7.93511 -166.504 -7.44891 -76.1026 -17.2147 PRESSAVG: 1751600 13.0996 -71.1733 -66.8833 -71.1733 -19.9003 26.8187 -66.8832 26.8187 -4.30552 GPRESSAVG: 1751600 13.1325 -71.7009 -67.222 -70.9855 -19.8483 25.2906 -64.6957 28.5332 -4.31013 TIMING: 1751600 CPU: 5580.4, 0.0031737/step Wall: 5580.4, 0.0031737/step, 2.86373 hours remaining, 240.320312 MB of memory in use. ENERGY: 1751600 4004.5341 20478.2524 14435.8409 240.4191 -203491.7105 2720.0014 0.0000 0.0000 51927.8186 -109684.8440 298.4299 -161612.6626 -109322.3929 299.3778 -68.7472 -30.9270 759583.4997 -3.7021 -3.6753 PRESSURE: 1751800 -343.669 75.4783 157.586 75.4788 -96.0099 207.629 157.586 207.629 -260.328 GPRESSURE: 1751800 -246.753 14.8104 51.8987 70.7821 -73.6469 170.192 115.478 170.281 -261.491 PRESSAVG: 1751800 38.1257 -70.7182 -0.224494 -70.7182 3.26096 -14.4431 -0.224525 -14.443 -12.1672 GPRESSAVG: 1751800 37.7541 -70.7287 1.25533 -69.3885 2.68315 -15.4907 -1.79053 -14.4133 -11.6297 TIMING: 1751800 CPU: 5581.04, 0.00316116/step Wall: 5581.04, 0.00316116/step, 2.85224 hours remaining, 240.320312 MB of memory in use. ENERGY: 1751800 3950.4905 20418.4173 14518.7770 247.0838 -203607.2393 2621.4606 0.0000 0.0000 52001.1401 -109849.8699 298.8513 -161851.0101 -109480.7748 298.9466 -233.3358 -193.9636 760064.1070 9.7398 9.6025 PRESSURE: 1752000 8.28935 79.2379 -66.4197 79.2374 -155.548 171.258 -66.4204 171.258 -0.391379 GPRESSURE: 1752000 76.2633 55.2554 -137.7 65.7011 -155.301 144.17 -95.9305 169.816 11.6143 PRESSAVG: 1752000 -13.1775 -22.9891 34.0274 -22.9892 -19.3518 41.082 34.0274 41.0819 21.2916 GPRESSAVG: 1752000 -13.5016 -23.8402 33.2061 -22.2554 -18.4655 43.6873 33.8337 40.5169 20.7101 TIMING: 1752000 CPU: 5581.67, 0.00315412/step Wall: 5581.67, 0.00315412/step, 2.84572 hours remaining, 240.320312 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: 1752000 3940.4952 20583.1741 14446.6339 265.2224 -203448.7725 2675.7546 0.0000 0.0000 51949.1618 -109588.3305 298.5525 -161537.4924 -109225.5216 298.3071 -49.2168 -22.4744 762427.1774 -3.7459 -3.7523 PRESSURE: 1752200 -3.79427 -39.7162 131.892 -39.7153 -203.133 20.0584 131.893 20.0589 -223.602 GPRESSURE: 1752200 73.5054 25.9424 121.81 -81.4166 -253.468 -88.446 103.172 75.0227 -184.872 PRESSAVG: 1752200 21.4666 -38.1436 20.2075 -38.1436 -71.4839 0.359658 20.2075 0.35957 -1.67512 GPRESSAVG: 1752200 20.8627 -39.3263 21.5305 -39.5712 -72.3336 -0.598784 20.4473 -0.552615 -0.360022 TIMING: 1752200 CPU: 5582.3, 0.00317875/step Wall: 5582.3, 0.00317875/step, 2.86777 hours remaining, 240.320312 MB of memory in use. ENERGY: 1752200 3978.7810 20641.3722 14428.4786 250.0984 -203294.4133 2318.4501 0.0000 0.0000 52249.1038 -109428.1292 300.2763 -161677.2330 -109070.6690 299.0618 -143.5098 -121.6113 760984.8401 -17.2308 -17.2770 LDB: ============= START OF LOAD BALANCING ============== 5594.76 LDB: ============== END OF LOAD BALANCING =============== 5594.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5594.76 LDB: ============= START OF LOAD BALANCING ============== 5595.08 LDB: Largest compute 7034 load 0.035024 is 17.9% of average load 0.195211 LDB: Average compute 0.004405 is 2.3% of average load 0.195211 LDB: TIME 5595.08 LOAD: AVG 0.195211 MAX 0.21334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.793 MB LDB: TIME 5595.08 LOAD: AVG 0.195211 MAX 0.21334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.863 MB LDB: TIME 5595.08 LOAD: AVG 0.195211 MAX 0.21334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.863 MB LDB: ============== END OF LOAD BALANCING =============== 5595.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5595.09 PRESSURE: 1752400 -422.364 159.892 -71.6486 159.893 -146.31 -90.7859 -71.6498 -90.7865 -439.803 GPRESSURE: 1752400 -310.937 81.1153 -10.1067 102.56 -198.268 -23.4727 -91.2659 -58.3804 -436.799 PRESSAVG: 1752400 3.28558 -4.91364 36.5397 -4.91362 -24.8442 35.4105 36.5397 35.4105 -22.9571 GPRESSAVG: 1752400 4.50126 -4.74519 36.1577 -5.09763 -25.2495 34.9325 36.4695 37.5242 -23.8703 TIMING: 1752400 CPU: 5582.96, 0.00325957/step Wall: 5582.96, 0.00325957/step, 2.94049 hours remaining, 238.699219 MB of memory in use. ENERGY: 1752400 4050.7201 20597.9384 14340.2873 243.7355 -202943.4619 1951.1362 0.0000 0.0000 52413.7281 -109345.9163 301.2224 -161759.6444 -108974.2525 299.5866 -336.1591 -315.3345 760558.3618 -14.8386 -14.8729 PRESSURE: 1752600 53.8088 -118.976 164.402 -118.976 -116.522 -66.3168 164.402 -66.3165 -335.87 GPRESSURE: 1752600 72.6594 -122.098 88.3844 8.14227 -35.7118 -41.6647 106.103 -7.44058 -366.102 PRESSAVG: 1752600 -7.68637 -48.4888 67.4868 -48.4889 -11.243 30.8105 67.4868 30.8105 1.59463 GPRESSAVG: 1752600 -8.79869 -47.6929 68.0864 -47.5801 -10.7064 31.0521 67.5041 30.5474 1.7441 TIMING: 1752600 CPU: 5583.59, 0.00317774/step Wall: 5583.59, 0.00317774/step, 2.8665 hours remaining, 238.941406 MB of memory in use. ENERGY: 1752600 4114.2680 20682.5211 14450.2502 246.8729 -203026.8955 2389.8218 0.0000 0.0000 51824.5958 -109318.5656 297.8367 -161143.1614 -108955.9173 299.9909 -132.8610 -109.7183 760466.9523 -5.7782 -5.9203 PRESSURE: 1752800 71.0193 -61.1815 127.13 -61.182 117.087 160.718 127.13 160.718 -221.38 GPRESSURE: 1752800 40.9582 -29.9379 195.975 -182.788 144.481 103.636 182.041 183.685 -142.379 PRESSAVG: 1752800 12.1277 -59.1577 34.7777 -59.1576 7.39241 -8.77063 34.7777 -8.7707 -26.9789 GPRESSAVG: 1752800 10.9978 -59.1501 35.3099 -59.9858 7.91985 -8.59649 33.1342 -9.09513 -26.5729 TIMING: 1752800 CPU: 5584.23, 0.0031835/step Wall: 5584.23, 0.0031835/step, 2.87151 hours remaining, 238.941406 MB of memory in use. ENERGY: 1752800 3939.5389 20481.4793 14415.5133 248.6856 -203190.7341 2449.8142 0.0000 0.0000 52250.2549 -109405.4480 300.2829 -161655.7028 -109037.4290 299.7846 -11.0913 14.3536 761569.9388 -2.4863 -2.5518 PRESSURE: 1753000 34.0779 17.4437 -99.4173 17.4437 126.108 -225.066 -99.4166 -225.066 -341.002 GPRESSURE: 1753000 138.399 55.9626 -144.608 -42.8807 41.9021 -201.213 -94.0575 -210.715 -285.799 PRESSAVG: 1753000 -21.0014 -74.6395 -1.72689 -74.6395 34.8171 -49.9094 -1.7269 -49.9094 18.4195 GPRESSAVG: 1753000 -20.8311 -72.6576 -1.19576 -73.7646 34.1532 -51.3482 -1.52948 -50.0194 18.5804 TIMING: 1753000 CPU: 5584.87, 0.00319148/step Wall: 5584.87, 0.00319148/step, 2.87854 hours remaining, 238.941406 MB of memory in use. ENERGY: 1753000 3988.2748 20643.1643 14443.1839 259.4411 -203499.7421 2596.6650 0.0000 0.0000 52223.1516 -109345.8615 300.1272 -161569.0130 -108984.3693 299.9862 -60.2723 -35.1660 759960.8467 10.7450 10.6342 PRESSURE: 1753200 -34.3629 132.131 -293.378 132.131 220.809 88.3478 -293.378 88.3472 434.793 GPRESSURE: 1753200 48.0413 48.1295 -244.529 100.568 206.127 87.2811 -149.527 158.079 455.979 PRESSAVG: 1753200 61.1275 -55.6273 -28.5394 -55.6273 -33.2819 13.1262 -28.5394 13.1262 -3.44341 GPRESSAVG: 1753200 61.7144 -55.7397 -28.6617 -56.6188 -32.1949 13.8418 -26.6034 12.5625 -4.96206 TIMING: 1753200 CPU: 5585.5, 0.0031888/step Wall: 5585.5, 0.0031888/step, 2.87594 hours remaining, 238.941406 MB of memory in use. ENERGY: 1753200 3955.0780 20619.3191 14452.8198 234.8173 -203628.6701 2701.5234 0.0000 0.0000 52261.2244 -109403.8881 300.3460 -161665.1124 -109047.1581 300.1418 207.0799 236.7155 759401.3420 8.1341 8.1858 PRESSURE: 1753400 -236.743 160.869 169.522 160.869 54.0422 -2.6677 169.523 -2.66831 158.149 GPRESSURE: 1753400 -167.202 71.5022 109.613 105.866 36.4223 -51.2005 7.63433 97.4383 202.214 PRESSAVG: 1753400 16.4467 -22.8273 -20.079 -22.8273 -3.73066 11.5758 -20.079 11.5758 -18.11 GPRESSAVG: 1753400 16.4578 -22.731 -20.6427 -20.9201 -5.06095 12.6674 -20.2277 11.6774 -16.8145 TIMING: 1753400 CPU: 5586.14, 0.00316201/step Wall: 5586.14, 0.00316201/step, 2.85161 hours remaining, 238.941406 MB of memory in use. ENERGY: 1753400 4003.9941 20414.4813 14433.2969 243.4384 -202866.9566 2379.1948 0.0000 0.0000 51923.3755 -109469.1757 298.4044 -161392.5512 -109112.4641 300.0211 -8.1840 23.8112 757896.5874 -1.7980 -1.8059 PRESSURE: 1753600 35.7728 -53.6529 91.3314 -53.6533 31.9186 -88.2512 91.3321 -88.2517 176.136 GPRESSURE: 1753600 61.88 -80.0448 119.43 53.6842 118.597 -47.2421 15.5077 -98.0331 152.167 PRESSAVG: 1753600 21.4724 -48.8129 18.7017 -48.8128 -16.3686 -13.5941 18.7017 -13.594 0.145376 GPRESSAVG: 1753600 22.4836 -50.6202 16.4409 -49.2468 -15.4094 -14.6088 18.712 -13.4092 -1.64906 TIMING: 1753600 CPU: 5586.78, 0.00319336/step Wall: 5586.78, 0.00319336/step, 2.8797 hours remaining, 238.941406 MB of memory in use. ENERGY: 1753600 4056.5076 20418.0559 14419.0398 232.2265 -202983.8390 2386.2655 0.0000 0.0000 52014.3156 -109457.4282 298.9270 -161471.7438 -109102.6706 299.6313 81.2760 110.8815 760224.1431 1.7497 1.8084 PRESSURE: 1753800 -260.437 -158.102 -15.0431 -158.102 73.9139 34.4802 -15.0422 34.4795 439.86 GPRESSURE: 1753800 -128.929 -133.964 -57.2737 -183.379 105.495 61.7567 -4.94359 97.5757 361.971 PRESSAVG: 1753800 -30.1796 -40.2651 -73.7892 -40.2651 34.3191 -16.4454 -73.7892 -16.4454 1.17521 GPRESSAVG: 1753800 -30.6005 -37.7006 -72.1895 -42.1818 33.8513 -15.1381 -74.1316 -15.89 2.58795 TIMING: 1753800 CPU: 5587.42, 0.00320015/step Wall: 5587.42, 0.00320015/step, 2.88565 hours remaining, 238.941406 MB of memory in use. ENERGY: 1753800 4001.7110 20634.4281 14454.1273 253.2869 -203403.7093 2511.0653 0.0000 0.0000 52090.2667 -109458.8240 299.3635 -161549.0906 -109095.2834 299.6260 84.4456 112.8455 759187.0906 1.7716 1.9462 PRESSURE: 1754000 -135.496 103.312 290.526 103.312 -118.817 86.3473 290.527 86.348 -533.945 GPRESSURE: 1754000 -56.2821 118.345 149.104 62.0768 -172.236 55.0469 199.418 -65.8932 -486.097 PRESSAVG: 1754000 33.3175 -85.2006 1.49821 -85.2007 -5.45641 -28.8323 1.49822 -28.8324 13.5793 GPRESSAVG: 1754000 33.2228 -84.9895 -0.29846 -84.6618 -5.08065 -28.2402 3.13146 -29.5492 13.4571 TIMING: 1754000 CPU: 5588.05, 0.00316394/step Wall: 5588.05, 0.00316394/step, 2.85281 hours remaining, 238.941406 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: 1754000 4018.0501 20626.5565 14511.0606 240.6336 -203089.1694 2320.2843 0.0000 0.0000 51903.7346 -109468.8497 298.2915 -161372.5843 -109106.2143 299.6569 -262.7524 -238.2048 760259.2373 13.8135 13.8664 PRESSURE: 1754200 -402.566 4.03304 75.1029 4.03263 100.779 121.601 75.1028 121.6 -192.67 GPRESSURE: 1754200 -257.501 142.989 105.283 -29.8467 90.6757 165.729 98.5013 171.563 -234.283 PRESSAVG: 1754200 10.5416 12.9973 23.8733 12.9972 -8.74326 17.1531 23.8732 17.153 -0.495433 GPRESSAVG: 1754200 9.9741 11.7049 24.9567 14.8052 -8.43029 16.8708 21.3331 14.8512 -0.570224 TIMING: 1754200 CPU: 5588.68, 0.00316953/step Wall: 5588.68, 0.00316953/step, 2.85768 hours remaining, 238.941406 MB of memory in use. ENERGY: 1754200 4046.5917 20464.9815 14440.7257 252.3168 -203305.4601 2364.2714 0.0000 0.0000 52183.2547 -109553.3183 299.8979 -161736.5731 -109182.7371 299.6658 -164.8188 -133.7030 758338.1804 0.4343 0.3245 PRESSURE: 1754400 -381.514 14.9509 -165.477 14.9511 -347.825 95.2633 -165.478 95.2626 21.064 GPRESSURE: 1754400 -304.442 -66.2664 -149.542 -33.2848 -311.838 103.649 -129.511 151.372 18.6756 PRESSAVG: 1754400 52.5115 -22.8712 34.9055 -22.8712 -60.161 8.7749 34.9055 8.77498 -23.6526 GPRESSAVG: 1754400 52.1228 -22.7935 34.0821 -25.3465 -60.701 7.58437 38.4515 12.4096 -23.3021 TIMING: 1754400 CPU: 5589.32, 0.00320985/step Wall: 5589.32, 0.00320985/step, 2.89385 hours remaining, 238.941406 MB of memory in use. ENERGY: 1754400 3981.5810 20578.3237 14391.4380 251.7389 -203246.6127 2335.5978 0.0000 0.0000 52168.9050 -109539.0284 299.8154 -161707.9333 -109176.2768 299.5786 -236.0916 -199.2013 757956.6009 -10.4340 -10.6268 PRESSURE: 1754600 -35.8277 -59.177 230.189 -59.1766 29.5703 227.561 230.189 227.562 56.3486 GPRESSURE: 1754600 113.333 51.4708 99.8344 -194.505 6.95183 94.719 265.517 156.523 -3.30091 PRESSAVG: 1754600 0.750062 -31.1318 41.6626 -31.1318 -4.83871 34.9837 41.6626 34.9837 -11.1512 GPRESSAVG: 1754600 1.31218 -28.8002 41.9973 -30.8816 -5.734 33.3904 39.7732 33.7707 -11.3456 TIMING: 1754600 CPU: 5589.96, 0.00320018/step Wall: 5589.96, 0.00320018/step, 2.88496 hours remaining, 238.941406 MB of memory in use. ENERGY: 1754600 3996.9335 20541.2555 14401.5912 256.6742 -203465.2636 2458.2011 0.0000 0.0000 52251.4652 -109559.1429 300.2899 -161810.6081 -109196.6762 299.4809 16.6970 38.9947 760863.8948 -5.0799 -5.2558 PRESSURE: 1754800 -241.903 81.5306 106.149 81.5301 -257.644 -198.934 106.149 -198.935 -167.414 GPRESSURE: 1754800 -292.136 -14.085 39.3363 107.314 -104.812 -143.642 208.704 -226.959 -175.726 PRESSAVG: 1754800 7.02102 24.5507 16.7921 24.5507 -4.55885 -13.8801 16.7921 -13.8801 -11.8373 GPRESSAVG: 1754800 6.25131 22.9683 18.0372 24.4424 -3.09858 -12.6204 16.123 -14.1435 -13.2274 TIMING: 1754800 CPU: 5590.6, 0.00317821/step Wall: 5590.6, 0.00317821/step, 2.86498 hours remaining, 238.941406 MB of memory in use. ENERGY: 1754800 4023.1504 20505.2053 14414.3475 253.7725 -203777.9120 2751.4266 0.0000 0.0000 52197.5022 -109632.5075 299.9798 -161830.0097 -109272.5302 299.5772 -222.3202 -190.8913 759319.2681 -3.1250 -3.3582 PRESSURE: 1755000 -244.805 8.63958 128.013 8.63932 -204.986 -28.3107 128.013 -28.3105 -306.668 GPRESSURE: 1755000 -190.918 31.4975 110.942 68.944 -140.427 3.72136 216.495 -21.5765 -342.406 PRESSAVG: 1755000 -27.431 -15.4038 30.3612 -15.4038 35.7489 -3.74953 30.3612 -3.74957 4.18745 GPRESSAVG: 1755000 -27.2093 -16.3153 29.8068 -15.119 34.8072 -4.70229 31.5857 -3.06852 4.91234 TIMING: 1755000 CPU: 5591.23, 0.00316556/step Wall: 5591.23, 0.00316556/step, 2.8534 hours remaining, 238.941406 MB of memory in use. ENERGY: 1755000 3923.2490 20563.0612 14408.3713 245.8008 -203374.7927 2421.0510 0.0000 0.0000 52257.9471 -109555.3123 300.3271 -161813.2594 -109178.8591 300.0184 -252.1530 -224.5838 760759.4332 4.1684 4.1701 PRESSURE: 1755200 -54.5506 -194.996 -22.0267 -194.996 -204.5 -38.5394 -22.0272 -38.5396 -33.7341 GPRESSURE: 1755200 -7.15244 -222.269 -84.0701 24.6632 -183.854 -50.2421 27.1223 -12.8842 -32.604 PRESSAVG: 1755200 -41.5001 -47.4441 15.3576 -47.4441 43.461 8.62923 15.3577 8.62931 10.741 GPRESSAVG: 1755200 -39.8056 -44.6288 14.9265 -49.3227 42.2792 9.67635 14.9508 7.69711 10.2872 TIMING: 1755200 CPU: 5591.87, 0.00316725/step Wall: 5591.87, 0.00316725/step, 2.85475 hours remaining, 238.941406 MB of memory in use. ENERGY: 1755200 4039.3907 20607.7255 14436.9723 240.8760 -203135.0927 2442.1703 0.0000 0.0000 51825.2615 -109542.6964 297.8405 -161367.9579 -109175.9706 299.5920 -97.5949 -74.5369 759520.1704 4.2340 4.2536 PRESSURE: 1755400 -460.101 30.3474 -309.562 30.3477 -183.335 -307.616 -309.562 -307.617 23.4244 GPRESSURE: 1755400 -376.911 -56.6404 -244.905 -61.343 -174.283 -369.584 -371.049 -191.28 10.7254 PRESSAVG: 1755400 -1.59603 -41.8248 -25.635 -41.8249 -4.40395 -26.7998 -25.635 -26.7997 5.1432 GPRESSAVG: 1755400 -1.76279 -44.6095 -26.9175 -38.053 -4.31647 -27.8789 -26.5355 -25.1743 5.17046 TIMING: 1755400 CPU: 5592.5, 0.00318947/step Wall: 5592.5, 0.00318947/step, 2.8746 hours remaining, 238.941406 MB of memory in use. ENERGY: 1755400 3945.4290 20570.4342 14474.4346 271.3508 -203736.0527 2662.5156 0.0000 0.0000 52024.6212 -109787.2673 298.9862 -161811.8885 -109429.1375 299.4942 -206.6707 -180.1562 761395.2047 -0.2856 -0.3029 PRESSURE: 1755600 -188.135 -28.0839 -71.9945 -28.0845 218.8 -241.175 -71.9941 -241.175 48.1289 GPRESSURE: 1755600 -103.788 -63.9483 28.531 -87.2577 215.618 -238.729 -42.2697 -188.7 61.9216 PRESSAVG: 1755600 -40.9401 -35.909 -12.1749 -35.909 -19.4081 -111.718 -12.1749 -111.718 -1.61423 GPRESSAVG: 1755600 -41.9695 -34.9019 -9.27014 -37.5259 -18.2494 -111.024 -11.4863 -113.04 -1.56089 TIMING: 1755600 CPU: 5593.14, 0.00317618/step Wall: 5593.14, 0.00317617/step, 2.86244 hours remaining, 238.941406 MB of memory in use. ENERGY: 1755600 4060.1003 20429.8035 14480.9245 249.0210 -203487.6874 2586.0034 0.0000 0.0000 52011.4761 -109670.3585 298.9107 -161681.8347 -109311.4577 298.4624 26.2646 57.9174 760935.4437 -20.6541 -20.5933 PRESSURE: 1755800 168.225 -102.016 -93.7648 -102.016 9.01848 113.737 -93.7644 113.736 -97.5928 GPRESSURE: 1755800 233.359 -68.4873 -134.771 -23.9432 -73.8277 76.3001 -50.0777 140.362 -10.0331 PRESSAVG: 1755800 9.16852 -44.2182 -41.4074 -44.2182 43.6776 14.6568 -41.4074 14.6567 -3.83358 GPRESSAVG: 1755800 8.32671 -44.2459 -42.5885 -43.2147 42.6168 14.5607 -43.7086 15.6975 -1.81505 TIMING: 1755800 CPU: 5593.77, 0.0031735/step Wall: 5593.77, 0.0031735/step, 2.85986 hours remaining, 238.941406 MB of memory in use. ENERGY: 1755800 3970.5775 20624.0537 14425.3393 225.8032 -203184.1903 2318.8957 0.0000 0.0000 51998.7875 -109620.7333 298.8377 -161619.5208 -109256.8081 299.1515 26.5503 49.8328 758361.6241 16.3375 16.3762 PRESSURE: 1756000 -56.2577 26.351 35.5182 26.3517 206.599 -117.854 35.5184 -117.855 -320.751 GPRESSURE: 1756000 53.1253 36.6903 -9.76533 72.6872 230.786 -154.563 -38.5595 -103.588 -340.54 PRESSAVG: 1756000 12.243 -64.0574 -5.6545 -64.0573 -17.3281 -10.9512 -5.65455 -10.9512 5.33964 GPRESSAVG: 1756000 14.6492 -64.1262 -6.33986 -65.7308 -17.2854 -11.2266 -1.83016 -13.1116 3.19744 TIMING: 1756000 CPU: 5594.41, 0.00317683/step Wall: 5594.41, 0.00317683/step, 2.86268 hours remaining, 238.941406 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: 1756000 3952.0318 20405.4503 14460.4842 252.0876 -203063.8856 2499.2994 0.0000 0.0000 52057.3063 -109437.2259 299.1741 -161494.5322 -109069.5693 299.6521 -56.8033 -18.8763 761030.8766 0.0848 0.1871 PRESSURE: 1756200 -51.1684 -173.066 -67.6545 -173.066 63.1291 14.7179 -67.655 14.7192 -284.053 GPRESSURE: 1756200 11.6718 -150.968 -2.937 -259.332 56.4843 54.4084 -13.7095 -100.801 -264.304 PRESSAVG: 1756200 39.1681 -93.8758 -43.531 -93.8759 -14.9513 -36.4645 -43.531 -36.4645 -5.26067 GPRESSAVG: 1756200 37.8823 -94.8574 -41.7272 -90.9103 -14.4259 -36.0763 -45.8631 -35.0676 -3.75734 TIMING: 1756200 CPU: 5595.05, 0.00320825/step Wall: 5595.05, 0.00320825/step, 2.89081 hours remaining, 238.941406 MB of memory in use. ENERGY: 1756200 3989.7911 20436.5494 14462.1944 236.4748 -203572.2220 2863.7436 0.0000 0.0000 52214.8318 -109368.6369 300.0794 -161583.4687 -109002.0496 299.7788 -90.6974 -65.3827 761441.7395 6.3187 6.5664 LDB: ============= START OF LOAD BALANCING ============== 5607.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5607.51 LDB: =============== DONE WITH MIGRATION ================ 5607.51 LDB: ============= START OF LOAD BALANCING ============== 5607.83 LDB: Largest compute 7069 load 0.035284 is 18.1% of average load 0.195111 LDB: Average compute 0.004406 is 2.3% of average load 0.195111 LDB: TIME 5607.84 LOAD: AVG 0.195111 MAX 0.215871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.488 MB LDB: TIME 5607.84 LOAD: AVG 0.195111 MAX 0.215871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.492 MB LDB: TIME 5607.84 LOAD: AVG 0.195111 MAX 0.215871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.492 MB LDB: ============== END OF LOAD BALANCING =============== 5607.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5607.84 PRESSURE: 1756400 7.95825 -44.595 12.9781 -44.5956 149.624 4.01988 12.9774 4.01993 160.716 GPRESSURE: 1756400 115.711 22.8658 9.11152 96.4427 99.3777 -42.2675 20.3009 44.6674 163.713 PRESSAVG: 1756400 -18.8152 -58.5756 4.95586 -58.5757 62.8273 -6.95653 4.95586 -6.95655 5.15498 GPRESSAVG: 1756400 -18.5861 -57.3031 4.02907 -61.3096 62.6915 -7.68736 4.47617 -5.66684 4.62382 TIMING: 1756400 CPU: 5595.71, 0.00328267/step Wall: 5595.71, 0.00328266/step, 2.95768 hours remaining, 240.769531 MB of memory in use. ENERGY: 1756400 4020.2457 20498.0721 14393.2478 253.4665 -203350.4112 2542.5661 0.0000 0.0000 52320.3664 -109322.4467 300.6859 -161642.8130 -108964.1116 300.1719 106.0995 126.2673 762390.6219 16.3890 16.2431 PRESSURE: 1756600 -114.25 24.8661 -111.39 24.8667 -72.0297 -112.696 -111.39 -112.696 -153.855 GPRESSURE: 1756600 -15.1032 97.2138 -155.852 -6.48061 -111.061 -108.921 -157.973 -107.482 -131.222 PRESSAVG: 1756600 33.9578 10.4141 -35.4191 10.4141 -52.8474 2.67374 -35.4191 2.67363 5.66187 GPRESSAVG: 1756600 34.4287 9.05247 -38.4394 10.9373 -52.9927 2.9898 -35.0628 1.87839 5.78622 TIMING: 1756600 CPU: 5596.35, 0.00318978/step Wall: 5596.35, 0.00318978/step, 2.87381 hours remaining, 240.968750 MB of memory in use. ENERGY: 1756600 3983.4524 20464.1595 14440.3454 251.5303 -203234.0847 2644.8690 0.0000 0.0000 52166.5354 -109283.1927 299.8018 -161449.7281 -108916.7838 299.7342 -113.3781 -85.7956 759330.5291 -4.4093 -4.2593 PRESSURE: 1756800 122.849 -287.22 127.178 -287.221 -91.8569 -92.4641 127.179 -92.4651 -1.98574 GPRESSURE: 1756800 161.813 -340.313 177.104 -172.474 -82.025 -130.402 9.66926 -92.2848 37.0505 PRESSAVG: 1756800 14.7338 -69.8594 50.2061 -69.8594 -31.7503 36.6272 50.2061 36.6272 15.1297 GPRESSAVG: 1756800 13.9277 -67.4335 52.0428 -71.2998 -30.9317 35.6865 48.9928 37.1505 15.0821 TIMING: 1756800 CPU: 5596.98, 0.00315899/step Wall: 5596.98, 0.00315899/step, 2.84589 hours remaining, 240.968750 MB of memory in use. ENERGY: 1756800 4015.8672 20607.5486 14414.0575 218.7894 -203397.1695 2825.8455 0.0000 0.0000 51894.3593 -109420.7020 298.2376 -161315.0613 -109076.5535 299.3639 9.6688 38.9462 760116.5082 -0.6290 -0.6406 PRESSURE: 1757000 -242.891 129.74 -249.183 129.74 -322.491 110.219 -249.183 110.218 22.9657 GPRESSURE: 1757000 -137.355 155.387 -332.737 191.99 -366.541 113.34 -258.803 196.155 49.7256 PRESSAVG: 1757000 15.6522 -23.5275 -24.5071 -23.5276 -40.3495 -25.2329 -24.5071 -25.2329 -14.3907 GPRESSAVG: 1757000 14.9391 -25.245 -26.1018 -22.2668 -39.7654 -23.0018 -23.1324 -27.0333 -14.0892 TIMING: 1757000 CPU: 5597.61, 0.00317943/step Wall: 5597.61, 0.00317943/step, 2.86414 hours remaining, 240.968750 MB of memory in use. ENERGY: 1757000 3996.2683 20552.3099 14385.4675 235.2924 -203368.5599 2664.7308 0.0000 0.0000 52269.9998 -109264.4913 300.3964 -161534.4910 -108910.3052 299.4386 -180.8054 -151.3902 761120.4689 -13.0294 -12.9718 PRESSURE: 1757200 -382.914 6.0758 -217.543 6.07556 -98.9369 -57.0538 -217.542 -57.0551 154.195 GPRESSURE: 1757200 -373.738 12.7186 -205.559 -16.2989 22.2138 -122.37 -238.013 -45.8997 108.743 PRESSAVG: 1757200 26.4817 -10.488 -28.7731 -10.488 -63.812 13.6734 -28.773 13.6733 11.9896 GPRESSAVG: 1757200 28.5753 -10.0739 -27.8995 -11.1369 -64.5703 13.4189 -29.5872 16.1419 10.8417 TIMING: 1757200 CPU: 5598.25, 0.00320833/step Wall: 5598.25, 0.00320833/step, 2.88999 hours remaining, 240.968750 MB of memory in use. ENERGY: 1757200 4060.6580 20586.5561 14409.4716 238.6609 -202877.4300 2299.6654 0.0000 0.0000 51871.5608 -109410.8571 298.1066 -161282.4179 -109058.5830 299.8276 -109.2184 -80.9269 760119.8417 -8.4469 -8.3844 PRESSURE: 1757400 63.0691 -41.1137 -261.433 -41.1133 185.235 53.0091 -261.433 53.0095 -8.82376 GPRESSURE: 1757400 92.073 -91.592 -283.233 -22.3755 193.885 42.8911 -272.593 35.4951 35.5705 PRESSAVG: 1757400 16.4164 -25.9112 -19.0716 -25.9112 20.4513 -0.213284 -19.0716 -0.213261 8.71985 GPRESSAVG: 1757400 14.8268 -27.3332 -18.325 -23.7345 21.1915 -0.584753 -19.1966 -1.8149 9.40288 TIMING: 1757400 CPU: 5598.9, 0.00321457/step Wall: 5598.9, 0.00321457/step, 2.89544 hours remaining, 240.968750 MB of memory in use. ENERGY: 1757400 3908.6324 20478.5772 14468.6003 248.2238 -203351.0700 2510.0226 0.0000 0.0000 52199.4312 -109537.5823 299.9908 -161737.0135 -109173.0529 299.3079 79.8269 107.1761 758964.9244 15.1959 15.1404 PRESSURE: 1757600 215.699 286.186 -109.172 286.185 -189.082 -150.562 -109.172 -150.562 -20.8806 GPRESSURE: 1757600 332.5 275.156 -168.313 206.91 -163.486 -144.171 7.16831 -111.904 -91.3538 PRESSAVG: 1757600 37.1309 11.4405 -41.8642 11.4404 6.01995 -16.5355 -41.8642 -16.5354 -2.91738 GPRESSAVG: 1757600 36.9093 12.2965 -41.6181 9.9895 5.38198 -17.2176 -39.7885 -15.2902 -2.28364 TIMING: 1757600 CPU: 5599.55, 0.00324802/step Wall: 5599.55, 0.00324802/step, 2.92539 hours remaining, 240.968750 MB of memory in use. ENERGY: 1757600 3980.9113 20515.7071 14505.5702 246.6885 -203632.2256 2612.9768 0.0000 0.0000 52293.9345 -109476.4372 300.5340 -161770.3717 -109109.3023 299.7745 1.9120 25.8866 760268.7504 13.4112 13.3359 PRESSURE: 1757800 -199.673 11.6472 -244.216 11.6472 -397.537 -121.574 -244.216 -121.575 -380.468 GPRESSURE: 1757800 -246.928 -121.063 -185.187 27.7608 -301.976 -170.863 -238.921 -126.83 -345.902 PRESSAVG: 1757800 22.5556 -46.7615 -68.782 -46.7616 -22.6944 38.7458 -68.782 38.7459 21.8457 GPRESSAVG: 1757800 23.61 -46.1221 -67.8969 -50.0055 -22.8944 37.8343 -68.5659 39.5478 20.7319 TIMING: 1757800 CPU: 5600.19, 0.00322363/step Wall: 5600.19, 0.00322363/step, 2.90324 hours remaining, 240.968750 MB of memory in use. ENERGY: 1757800 4021.9388 20503.4081 14470.3388 245.2394 -203313.2998 2417.3795 0.0000 0.0000 52315.1999 -109339.7953 300.6562 -161654.9952 -108974.4338 299.9737 -325.8927 -298.2688 760220.5847 7.2356 7.1492 PRESSURE: 1758000 -184.833 222.223 73.5998 222.222 -52.1472 61.2572 73.6 61.2565 -258.582 GPRESSURE: 1758000 -320.962 116.591 77.6518 148.673 64.6705 32.0932 -37.2053 64.8254 -173.107 PRESSAVG: 1758000 7.25697 -24.601 -40.6291 -24.6009 -2.05278 -28.9186 -40.6291 -28.9186 -7.38645 GPRESSAVG: 1758000 6.97425 -25.6224 -40.4157 -21.9755 -1.58546 -27.7073 -39.8376 -28.3824 -7.2985 TIMING: 1758000 CPU: 5600.83, 0.00320743/step Wall: 5600.83, 0.00320743/step, 2.88847 hours remaining, 240.968750 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: 1758000 3973.7322 20588.4290 14405.2246 251.8635 -203650.5658 2721.1795 0.0000 0.0000 52306.1650 -109403.9720 300.6042 -161710.1370 -109050.5521 300.1270 -165.1875 -143.1328 760762.1215 -0.7274 -0.6366 PRESSURE: 1758200 -298.624 17.7585 -100.693 17.7584 519.925 287.652 -100.693 287.652 23.5418 GPRESSURE: 1758200 -177.176 -87.0738 -140.675 -93.9461 429.245 282.599 -9.18872 163.515 79.028 PRESSAVG: 1758200 -10.9162 0.207283 -35.1529 0.207264 11.3437 -10.9988 -35.1529 -10.9988 9.48207 GPRESSAVG: 1758200 -10.0571 0.609004 -37.2049 0.110527 10.5934 -11.2974 -36.998 -11.5015 9.79206 TIMING: 1758200 CPU: 5601.47, 0.00319594/step Wall: 5601.47, 0.00319594/step, 2.87795 hours remaining, 240.968750 MB of memory in use. ENERGY: 1758200 3966.6426 20563.4558 14394.5755 259.6859 -203707.9290 2868.9203 0.0000 0.0000 52190.0450 -109464.6040 299.9369 -161654.6490 -109097.5421 299.4660 81.6145 110.3658 761602.3905 3.3032 3.4428 PRESSURE: 1758400 3.21652 -98.1008 -96.9405 -98.1006 -294.605 -1.80822 -96.9409 -1.80899 -310.821 GPRESSURE: 1758400 -22.2107 -94.67 -47.6549 -103.207 -154.591 14.2372 -146.245 -198.103 -333.271 PRESSAVG: 1758400 31.8307 -42.2033 -11.3231 -42.2032 -23.8224 58.3119 -11.3231 58.3119 -15.9659 GPRESSAVG: 1758400 31.478 -43.9465 -10.4005 -43.6609 -23.9076 58.7074 -12.4192 57.5678 -15.5774 TIMING: 1758400 CPU: 5602.11, 0.0032034/step Wall: 5602.11, 0.0032034/step, 2.88449 hours remaining, 240.968750 MB of memory in use. ENERGY: 1758400 4071.8697 20588.9976 14326.5983 225.0147 -203751.5673 2744.0763 0.0000 0.0000 52144.2230 -109650.7879 299.6736 -161795.0108 -109292.6895 299.4597 -200.7366 -170.0242 762091.7288 -2.6526 -2.6690 PRESSURE: 1758600 -219.816 55.0356 15.471 55.0353 -287.437 -414.618 15.4705 -414.618 63.572 GPRESSURE: 1758600 -117.647 95.1619 -37.1988 -22.3982 -194.526 -366.058 183.285 -286.038 -25.8069 PRESSAVG: 1758600 -9.47171 -40.7737 -83.704 -40.7737 2.78976 -28.4498 -83.7039 -28.4498 -10.3874 GPRESSAVG: 1758600 -10.5695 -40.1802 -83.2604 -37.5008 3.95356 -28.4938 -82.9732 -28.8138 -10.1087 TIMING: 1758600 CPU: 5602.75, 0.00319351/step Wall: 5602.75, 0.00319351/step, 2.8754 hours remaining, 240.968750 MB of memory in use. ENERGY: 1758600 3943.8485 20530.8678 14441.5037 255.3607 -203185.6828 2367.8233 0.0000 0.0000 51877.5226 -109768.7563 298.1408 -161646.2789 -109413.5816 299.4465 -147.8937 -112.6601 760964.6465 -5.6898 -5.5749 PRESSURE: 1758800 164.663 -90.7944 -216.475 -90.7938 -50.3428 -28.5986 -216.474 -28.5979 -42.699 GPRESSURE: 1758800 207.736 -85.627 -207.337 -113.477 -32.4528 -5.58319 -148.051 41.0542 4.04116 PRESSAVG: 1758800 21.7422 -22.0274 -25.0824 -22.0274 -15.6956 14.681 -25.0824 14.681 -2.66022 GPRESSAVG: 1758800 23.3059 -21.147 -25.2967 -24.84 -16.7013 14.9192 -23.7251 15.6745 -2.92898 TIMING: 1758800 CPU: 5603.39, 0.00317999/step Wall: 5603.39, 0.00317999/step, 2.86306 hours remaining, 240.968750 MB of memory in use. ENERGY: 1758800 3948.6892 20587.6833 14479.0370 247.2381 -203598.7270 2689.3318 0.0000 0.0000 51937.9749 -109708.7727 298.4883 -161646.7476 -109343.2440 299.3655 23.8738 59.7747 760274.5109 1.1288 1.2252 PRESSURE: 1759000 64.7444 85.4278 58.3134 85.4271 -184.194 5.79989 58.314 5.79951 72.8413 GPRESSURE: 1759000 79.9159 108.4 10.5984 248.589 -131.149 27.2401 40.7681 -87.9734 73.9056 PRESSAVG: 1759000 -24.4876 -0.563837 -39.0506 -0.563843 -28.9099 -41.6252 -39.0506 -41.6253 28.2212 GPRESSAVG: 1759000 -24.8479 -0.0950675 -38.9485 1.61864 -28.4069 -41.3518 -39.4759 -42.1836 27.1247 TIMING: 1759000 CPU: 5604.03, 0.00320369/step Wall: 5604.03, 0.00320369/step, 2.88421 hours remaining, 240.968750 MB of memory in use. ENERGY: 1759000 3925.7022 20697.4165 14284.5858 234.7949 -203437.3980 2465.0600 0.0000 0.0000 52076.5976 -109753.2410 299.2849 -161829.8385 -109388.7272 298.6948 -15.5362 7.5573 761242.0854 -8.3921 -8.7100 PRESSURE: 1759200 -177.431 -174.113 64.9232 -174.113 56.0837 -10.6274 64.9232 -10.6266 186.287 GPRESSURE: 1759200 -140.213 -150.633 -5.09367 -165.952 151.962 31.9276 -5.52244 29.0405 146.454 PRESSAVG: 1759200 -4.29286 -3.4962 -53.7346 -3.49611 17.663 17.302 -53.7346 17.3019 5.86548 GPRESSAVG: 1759200 -5.03937 -4.50343 -54.8058 -3.07441 16.5083 16.1227 -52.8152 16.4402 7.53368 TIMING: 1759200 CPU: 5604.67, 0.00322951/step Wall: 5604.67, 0.00322951/step, 2.90728 hours remaining, 240.968750 MB of memory in use. ENERGY: 1759200 4048.1902 20553.8041 14439.8584 270.3012 -203693.6002 2739.8294 0.0000 0.0000 51900.4227 -109741.1943 298.2724 -161641.6170 -109369.4339 299.1795 21.6467 52.7347 758821.0298 6.4119 6.3342 PRESSURE: 1759400 119.413 -86.3757 -110.069 -86.3764 -179.032 224.408 -110.069 224.408 -268.196 GPRESSURE: 1759400 95.1114 -102.653 -5.86736 -74.0762 -54.5275 231.883 -55.1199 275.946 -309.891 PRESSAVG: 1759400 -19.9308 -3.04719 45.8823 -3.0472 -7.9893 34.1371 45.8823 34.1371 -7.10019 GPRESSAVG: 1759400 -19.4103 -2.91537 46.612 -5.39709 -7.65082 34.4757 46.9529 36.0362 -7.96023 TIMING: 1759400 CPU: 5605.31, 0.00318505/step Wall: 5605.31, 0.00318505/step, 2.86708 hours remaining, 240.968750 MB of memory in use. ENERGY: 1759400 3955.8042 20572.9871 14430.1723 239.8996 -203576.5537 2715.0122 0.0000 0.0000 51901.0405 -109761.6378 298.2760 -161662.6782 -109399.5834 298.4236 -109.2717 -89.7690 759499.5882 -11.6734 -11.6738 PRESSURE: 1759600 -49.3752 104.677 -148.49 104.677 -64.7504 -172.016 -148.49 -172.016 114.495 GPRESSURE: 1759600 -86.8798 -65.7065 -118.323 157.782 -6.36001 -200.523 -227.303 -180.461 159.513 PRESSAVG: 1759600 11.693 -2.37736 8.27367 -2.37743 51.1101 32.1661 8.2737 32.1661 -27.0764 GPRESSAVG: 1759600 11.9323 -3.06462 9.20088 -0.659501 51.3266 32.8179 5.50286 32.0739 -27.1969 TIMING: 1759600 CPU: 5605.95, 0.00317825/step Wall: 5605.95, 0.00317825/step, 2.86077 hours remaining, 240.968750 MB of memory in use. ENERGY: 1759600 3965.6538 20576.6748 14455.2505 253.4028 -203315.6206 2411.4523 0.0000 0.0000 51937.2666 -109715.9199 298.4842 -161653.1865 -109352.4619 299.0814 0.1231 22.0909 759450.1130 11.9089 12.0207 PRESSURE: 1759800 161.814 -118.034 361.125 -118.034 229.98 22.4529 361.124 22.4519 -36.0781 GPRESSURE: 1759800 207.806 -103.771 393.054 -111.432 212.902 -26.714 414.875 3.43567 16.0529 PRESSAVG: 1759800 -6.33595 13.4705 21.0318 13.4705 -7.46466 41.954 21.0318 41.9541 -0.898962 GPRESSAVG: 1759800 -7.56789 14.4918 20.8358 13.6095 -8.12039 41.4782 21.9787 40.4658 0.724101 TIMING: 1759800 CPU: 5606.58, 0.00318802/step Wall: 5606.58, 0.00318802/step, 2.86939 hours remaining, 240.968750 MB of memory in use. ENERGY: 1759800 3986.4940 20512.9831 14463.1053 238.6310 -203763.1364 2735.6860 0.0000 0.0000 51986.7313 -109839.5057 298.7685 -161826.2369 -109485.2448 298.6775 118.5718 145.5872 761601.2061 -4.8999 -4.9881 PRESSURE: 1760000 -164.653 16.9597 133.462 16.9591 -9.24791 258.919 133.461 258.92 117.041 GPRESSURE: 1760000 -66.375 66.1646 104.289 -50.5804 4.79164 279.934 46.6899 193.356 144.354 PRESSAVG: 1760000 -50.9666 -34.641 40.9216 -34.6411 40.9344 9.6456 40.9216 9.64556 -15.8782 GPRESSAVG: 1760000 -50.2056 -32.0991 40.233 -36.5931 41.3223 9.04662 41.8919 12.4398 -17.1296 TIMING: 1760000 CPU: 5607.23, 0.00320197/step Wall: 5607.23, 0.00320197/step, 2.88178 hours remaining, 240.968750 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: 1760000 3934.7888 20576.8341 14474.9753 260.3717 -203760.9776 2840.9013 0.0000 0.0000 51797.8146 -109875.2916 297.6828 -161673.1063 -109524.5371 298.4734 -18.9531 27.5902 762116.0988 -8.6368 -8.6709 PRESSURE: 1760200 111.45 -94.5521 -222.527 -94.5516 449.381 125.859 -222.527 125.859 71.8279 GPRESSURE: 1760200 97.2261 -123.348 -175.679 -26.5423 534.71 110.421 -239.14 100.268 76.3892 PRESSAVG: 1760200 33.7715 -45.434 -43.2974 -45.434 20.0616 44.2103 -43.2973 44.2103 -9.41756 GPRESSAVG: 1760200 33.9951 -47.0507 -42.8532 -45.4714 19.5799 44.3291 -43.8611 41.9134 -9.06067 TIMING: 1760200 CPU: 5607.87, 0.00322525/step Wall: 5607.87, 0.00322525/step, 2.90255 hours remaining, 240.968750 MB of memory in use. ENERGY: 1760200 3888.2404 20485.2638 14407.3979 238.4859 -203759.5624 2752.4651 0.0000 0.0000 51777.9363 -110209.7730 297.5685 -161987.7093 -109864.1998 298.6290 210.8863 236.1086 759787.3963 14.8052 14.8381 LDB: ============= START OF LOAD BALANCING ============== 5620.32 LDB: ============== END OF LOAD BALANCING =============== 5620.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5620.33 LDB: ============= START OF LOAD BALANCING ============== 5620.65 LDB: Largest compute 7034 load 0.036629 is 18.8% of average load 0.195108 LDB: Average compute 0.004418 is 2.3% of average load 0.195108 LDB: TIME 5620.65 LOAD: AVG 0.195108 MAX 0.2146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.797 MB LDB: TIME 5620.65 LOAD: AVG 0.195108 MAX 0.2146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.004 MB LDB: TIME 5620.65 LOAD: AVG 0.195108 MAX 0.2146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.004 MB LDB: ============== END OF LOAD BALANCING =============== 5620.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5620.66 PRESSURE: 1760400 101.918 -8.57083 233.815 -8.57214 -99.8824 -51.3966 233.815 -51.3966 13.7578 GPRESSURE: 1760400 106.973 53.9222 229.169 -95.1827 -89.5587 11.3908 267.784 1.28138 70.2839 PRESSAVG: 1760400 7.69257 -32.479 -36.6696 -32.479 28.6464 2.70634 -36.6695 2.70638 -20.9838 GPRESSAVG: 1760400 8.29916 -32.5372 -38.6402 -31.0127 27.9308 1.73812 -36.8494 4.24038 -21.587 TIMING: 1760400 CPU: 5608.52, 0.00325725/step Wall: 5608.52, 0.00325725/step, 2.93116 hours remaining, 241.078125 MB of memory in use. ENERGY: 1760400 3974.5643 20324.9319 14483.8782 247.1211 -203767.1018 2775.6593 0.0000 0.0000 51902.9338 -110058.0132 298.2869 -161960.9470 -109688.4506 298.3450 5.2646 29.2328 759875.5544 5.1184 4.8810 PRESSURE: 1760600 138.346 -243.485 -20.2703 -243.486 124.266 83.8001 -20.2703 83.7994 -271.67 GPRESSURE: 1760600 169.928 -183.449 -132.366 -277.043 192.24 30.9466 -49.0206 36.3206 -273.191 PRESSAVG: 1760600 7.31618 -19.2997 -9.14524 -19.2997 22.7675 36.3888 -9.14524 36.3888 23.9447 GPRESSAVG: 1760600 6.78729 -21.3548 -4.98551 -20.6308 23.6732 38.0061 -10.4851 35.5444 23.4067 TIMING: 1760600 CPU: 5609.17, 0.0032228/step Wall: 5609.17, 0.0032228/step, 2.89998 hours remaining, 241.078125 MB of memory in use. ENERGY: 1760600 3916.8469 20509.7829 14442.7768 244.4537 -203528.1255 2594.9554 0.0000 0.0000 51854.4198 -109964.8900 298.0081 -161819.3098 -109608.3171 298.3079 -3.0194 29.6593 760122.0706 18.0095 17.9557 PRESSURE: 1760800 -82.5961 -16.8766 115.743 -16.8764 -60.4704 61.0521 115.744 61.0538 -168.727 GPRESSURE: 1760800 2.65036 57.2535 90.2386 75.3442 -111.405 35.1398 50.6768 142.281 -114.288 PRESSAVG: 1760800 -29.6859 -44.1885 12.4423 -44.1885 11.257 -2.96754 12.4423 -2.96758 -1.07939 GPRESSAVG: 1760800 -31.5126 -43.3229 9.47889 -43.3482 12.1998 -3.55891 11.6431 -1.81581 -0.192607 TIMING: 1760800 CPU: 5609.8, 0.00319051/step Wall: 5609.8, 0.00319051/step, 2.87075 hours remaining, 241.078125 MB of memory in use. ENERGY: 1760800 3920.5632 20374.6944 14427.1237 246.2089 -203235.2963 2374.1116 0.0000 0.0000 52135.9065 -109756.6880 299.6258 -161892.5945 -109382.3504 298.3303 -103.9311 -74.3473 761393.3609 -6.5028 -6.5018 PRESSURE: 1761000 14.8115 -79.8837 170.665 -79.8855 47.5173 19.992 170.665 19.9927 -43.7444 GPRESSURE: 1761000 4.54165 -160.076 101.24 -18.434 119.609 23.805 226.861 14.9268 -18.5101 PRESSAVG: 1761000 1.5297 4.24 -14.0528 4.24001 -9.114 3.23364 -14.0527 3.2336 8.33618 GPRESSAVG: 1761000 2.674 3.69146 -11.3503 3.18981 -9.99558 3.80492 -13.3892 2.04143 7.74851 TIMING: 1761000 CPU: 5610.44, 0.00318924/step Wall: 5610.44, 0.00318924/step, 2.86943 hours remaining, 241.078125 MB of memory in use. ENERGY: 1761000 3951.9103 20447.4673 14414.7538 235.2878 -203838.7231 2889.2411 0.0000 0.0000 52374.4415 -109525.6213 300.9966 -161900.0628 -109153.5079 299.6439 6.1948 35.2135 760061.0571 0.2506 0.1423 PRESSURE: 1761200 77.625 23.6046 -183.236 23.6045 145.408 284.037 -183.236 284.036 -418.635 GPRESSURE: 1761200 154.145 50.2141 -194.151 114.713 98.9264 333.575 -82.7182 273.792 -353.336 PRESSAVG: 1761200 -20.3508 -1.40873 -50.7074 -1.40872 51.2935 42.5464 -50.7074 42.5465 6.16191 GPRESSAVG: 1761200 -20.7092 -0.203633 -51.6071 -0.0214475 50.931 42.65 -48.9326 43.0326 6.91109 TIMING: 1761200 CPU: 5611.08, 0.00320829/step Wall: 5611.08, 0.00320829/step, 2.88639 hours remaining, 241.078125 MB of memory in use. ENERGY: 1761200 3908.0216 20539.1841 14473.4051 258.1235 -203077.7917 2494.2173 0.0000 0.0000 52026.0327 -109378.8074 298.9943 -161404.8401 -109014.1418 299.6950 -65.2004 -33.4214 760995.6464 12.3682 12.3777 PRESSURE: 1761400 24.803 161.264 32.2604 161.264 -370.055 -91.6335 32.2594 -91.6339 284.572 GPRESSURE: 1761400 49.4057 130.954 90.9485 188.23 -330.419 -57.8376 32.3549 -173.842 285.526 PRESSAVG: 1761400 -61.835 42.7894 -20.017 42.7894 38.8659 39.2155 -20.017 39.2155 -24.626 GPRESSAVG: 1761400 -63.2105 41.7882 -21.7947 42.9545 39.2411 39.4685 -19.8165 37.9048 -23.8269 TIMING: 1761400 CPU: 5611.72, 0.00317459/step Wall: 5611.72, 0.00317459/step, 2.8559 hours remaining, 241.078125 MB of memory in use. ENERGY: 1761400 3947.9392 20546.7350 14439.5204 263.9875 -203234.3503 2610.4392 0.0000 0.0000 52124.6070 -109301.1219 299.5608 -161425.7290 -108930.9477 299.8787 -20.2263 1.5041 761215.1675 -15.8651 -15.9321 PRESSURE: 1761600 -97.703 25.3408 196.523 25.341 421.347 -46.5863 196.523 -46.5857 359.005 GPRESSURE: 1761600 30.4482 -55.7728 136.607 14.1299 493.32 -169.559 91.2594 -48.2682 237.018 PRESSAVG: 1761600 -68.7021 30.4591 34.4804 30.4592 40.6448 36.1402 34.4803 36.1402 -12.2567 GPRESSAVG: 1761600 -68.8473 31.1704 34.681 30.978 42.5554 34.8259 33.2849 37.1384 -13.5481 TIMING: 1761600 CPU: 5612.35, 0.00317397/step Wall: 5612.35, 0.00317397/step, 2.85516 hours remaining, 241.078125 MB of memory in use. ENERGY: 1761600 3897.8412 20397.1863 14369.9967 259.3752 -203137.2498 2494.6779 0.0000 0.0000 52180.2302 -109537.9423 299.8805 -161718.1725 -109165.7551 299.5168 227.5497 253.5953 762306.1288 -13.4380 -13.2800 PRESSURE: 1761800 117.401 -61.2509 -43.6312 -61.2518 -5.34315 245.269 -43.6315 245.27 65.7081 GPRESSURE: 1761800 128.885 -139.266 73.285 -88.3804 31.9569 208.683 -178.028 187.803 97.4625 PRESSAVG: 1761800 -40.3065 -25.8711 -30.2851 -25.8711 62.8234 -0.274996 -30.2851 -0.274973 17.1891 GPRESSAVG: 1761800 -38.8264 -26.6354 -27.7283 -28.4942 61.219 1.09013 -33.5635 -1.79491 17.307 TIMING: 1761800 CPU: 5612.99, 0.00318399/step Wall: 5612.99, 0.00318399/step, 2.864 hours remaining, 241.078125 MB of memory in use. ENERGY: 1761800 3993.7075 20377.0089 14418.0562 258.6036 -202925.8308 2514.3465 0.0000 0.0000 51948.1045 -109416.0036 298.5465 -161364.1081 -109053.3438 299.0251 59.2553 86.1015 761692.4361 13.2353 13.2332 PRESSURE: 1762000 62.2571 61.9488 -125.631 61.9481 -229.395 66.4705 -125.63 66.4696 -29.7542 GPRESSURE: 1762000 63.067 150.919 -126.038 93.3064 -110.453 67.2575 -86.1774 36.4664 -60.3812 PRESSAVG: 1762000 23.3765 -6.43168 2.66693 -6.43173 12.6949 4.37779 2.66697 4.37778 10.1439 GPRESSAVG: 1762000 23.8245 -5.67047 0.751832 -5.38382 12.0263 5.1144 5.269 6.72752 9.93359 TIMING: 1762000 CPU: 5613.63, 0.00318078/step Wall: 5613.63, 0.00318078/step, 2.86094 hours remaining, 241.078125 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: 1762000 3990.0837 20652.0059 14377.7776 229.2088 -202854.1252 2191.2466 0.0000 0.0000 51906.7387 -109507.0638 298.3087 -161413.8025 -109143.5129 299.2762 -65.6307 -35.9224 760133.8995 15.4051 15.2615 PRESSURE: 1762200 -220.386 309.476 -15.0028 309.475 -309.833 1.61744 -15.0029 1.61874 -147.075 GPRESSURE: 1762200 -171.89 220.209 -62.7453 309.653 -263.728 -10.0741 39.7065 1.45034 -139.256 PRESSAVG: 1762200 -0.277919 2.23057 -40.7789 2.23058 -2.13238 -37.6456 -40.7789 -37.6456 8.69373 GPRESSAVG: 1762200 -1.39428 2.10092 -40.547 3.27455 -1.33173 -36.6764 -41.4015 -39.3814 8.97794 TIMING: 1762200 CPU: 5614.27, 0.00321698/step Wall: 5614.27, 0.00321698/step, 2.89331 hours remaining, 241.078125 MB of memory in use. ENERGY: 1762200 3960.3135 20394.4632 14480.4152 253.6390 -203075.4794 2461.3021 0.0000 0.0000 52025.0372 -109500.3092 298.9886 -161525.3465 -109141.3755 299.7425 -225.7646 -191.6246 759632.9859 2.0945 2.0840 PRESSURE: 1762400 41.0681 -237.814 -68.1991 -237.813 -412.577 -85.9017 -68.1975 -85.9013 -319.439 GPRESSURE: 1762400 7.37074 -283.089 -91.9729 -204.748 -293.701 -108.35 26.6215 -83.792 -312.118 PRESSAVG: 1762400 14.1016 29.5637 -13.2666 29.5637 -10.6145 13.6983 -13.2665 13.6982 9.63571 GPRESSAVG: 1762400 13.5621 30.2127 -13.7303 27.4054 -9.88337 12.8258 -14.1299 14.4619 8.93486 TIMING: 1762400 CPU: 5614.91, 0.00322469/step Wall: 5614.91, 0.00322469/step, 2.90007 hours remaining, 241.078125 MB of memory in use. ENERGY: 1762400 4046.4170 20576.3390 14425.5252 247.0108 -203148.3928 2264.0336 0.0000 0.0000 52212.6534 -109376.4138 300.0668 -161589.0673 -109025.9918 299.7349 -230.3159 -199.4828 759225.5977 4.3743 4.2045 PRESSURE: 1762600 -119.264 -39.805 126.878 -39.8046 -16.6183 -114.062 126.877 -114.061 75.9005 GPRESSURE: 1762600 31.4114 11.3106 132.299 -61.832 -3.47471 -205.855 31.9894 12.2442 -11.9073 PRESSAVG: 1762600 8.12235 7.30629 -37.4491 7.30627 45.9508 -17.2101 -37.4491 -17.21 -3.93506 GPRESSAVG: 1762600 8.18658 5.91275 -36.6389 8.7266 45.8035 -16.6746 -38.5287 -16.7738 -4.0025 TIMING: 1762600 CPU: 5615.55, 0.00320012/step Wall: 5615.55, 0.00320012/step, 2.8778 hours remaining, 241.078125 MB of memory in use. ENERGY: 1762600 4064.0197 20459.2344 14391.7116 258.3474 -203656.8433 2964.9964 0.0000 0.0000 52168.7879 -109349.7458 299.8147 -161518.5337 -109001.3406 299.6713 -19.9940 5.3431 761120.2504 16.7127 16.6625 PRESSURE: 1762800 -206.729 83.2626 15.7675 83.2624 186.683 94.8784 15.7677 94.8781 -246.834 GPRESSURE: 1762800 -187.244 -9.71035 -21.512 -55.2202 233.605 139.689 -31.6837 14.8559 -213.234 PRESSAVG: 1762800 -23.9259 34.5021 -29.7389 34.5021 47.4565 -2.28821 -29.739 -2.28814 6.25302 GPRESSAVG: 1762800 -22.9446 35.1433 -28.4331 33.0586 47.7203 -2.87121 -29.8842 -4.057 5.3406 TIMING: 1762800 CPU: 5616.19, 0.00319074/step Wall: 5616.19, 0.00319074/step, 2.86918 hours remaining, 241.078125 MB of memory in use. ENERGY: 1762800 4015.1084 20543.3299 14350.7317 250.5755 -203347.1749 2490.7063 0.0000 0.0000 52318.3465 -109378.3766 300.6743 -161696.7231 -109009.0380 299.4895 -88.9603 -55.6243 761015.7149 9.9278 10.0388 PRESSURE: 1763000 -163.407 -9.7999 -76.3901 -9.80019 106.147 -8.04039 -76.3903 -8.04134 402.753 GPRESSURE: 1763000 -79.8749 58.6283 -147.816 15.1764 89.2522 -73.5203 -108.733 -72.7428 417.945 PRESSAVG: 1763000 -16.7685 86.6809 -68.8179 86.6808 51.4826 -14.7649 -68.8179 -14.7649 -19.8762 GPRESSAVG: 1763000 -16.934 86.8202 -72.7808 88.1288 51.2431 -14.9967 -67.968 -15.8282 -18.8995 TIMING: 1763000 CPU: 5616.83, 0.00317512/step Wall: 5616.83, 0.00317512/step, 2.85497 hours remaining, 241.078125 MB of memory in use. ENERGY: 1763000 3943.8608 20546.0345 14385.7670 257.3370 -203373.5530 2548.2573 0.0000 0.0000 52087.0642 -109605.2322 299.3451 -161692.2964 -109240.8245 299.4710 115.1642 142.4408 761335.6558 4.9459 5.1365 PRESSURE: 1763200 -160.796 -33.4093 80.6148 -33.4099 -174.576 -135.647 80.6148 -135.648 -31.6416 GPRESSURE: 1763200 -136.808 3.43909 160.511 -88.1328 -151.777 -63.2641 93.6637 1.73778 15.653 PRESSAVG: 1763200 10.7453 46.6448 7.14578 46.6448 -20.0035 34.9425 7.14577 34.9426 9.67031 GPRESSAVG: 1763200 11.096 47.0421 10.6923 48.1977 -20.9158 37.2281 6.54738 35.2936 10.288 TIMING: 1763200 CPU: 5617.47, 0.0032002/step Wall: 5617.47, 0.0032002/step, 2.87734 hours remaining, 241.078125 MB of memory in use. ENERGY: 1763200 3982.4326 20376.6041 14357.5214 253.6871 -203296.2673 2619.2716 0.0000 0.0000 51990.9046 -109715.8460 298.7924 -161706.7506 -109345.8579 298.8725 -122.3380 -90.9773 763882.7757 0.1374 0.1561 PRESSURE: 1763400 -305.97 -2.00826 -26.0682 -2.00861 -116.176 95.7362 -26.0683 95.7358 -297.163 GPRESSURE: 1763400 -262.42 -97.2396 -37.8783 -8.51193 -43.2459 62.4579 -13.6408 117.937 -331.82 PRESSAVG: 1763400 -29.529 -8.71871 15.0751 -8.71874 -3.89617 9.96019 15.0751 9.96016 -12.1948 GPRESSAVG: 1763400 -29.7962 -10.799 13.1156 -10.1134 -3.88634 7.86934 15.3904 10.8713 -12.3868 TIMING: 1763400 CPU: 5618.11, 0.00320768/step Wall: 5618.11, 0.00320768/step, 2.88388 hours remaining, 241.078125 MB of memory in use. ENERGY: 1763400 4010.2513 20439.7666 14397.1990 244.2410 -203434.8782 2611.1440 0.0000 0.0000 52088.0354 -109644.2410 299.3507 -161732.2765 -109266.4679 299.1264 -239.7696 -212.4953 762530.5101 -15.2067 -15.3564 PRESSURE: 1763600 16.4897 -140.466 29.2416 -140.466 76.8491 -28.8756 29.2417 -28.8753 72.3455 GPRESSURE: 1763600 30.6694 -263.901 72.8221 -191.321 40.0927 8.77111 -2.97523 48.8295 166.681 PRESSAVG: 1763600 -55.2124 -57.6757 38.5391 -57.6758 64.6321 27.9709 38.539 27.9709 4.6883 GPRESSAVG: 1763600 -54.848 -55.3765 39.5076 -58.2428 64.0965 27.8924 39.1542 27.2365 5.46005 TIMING: 1763600 CPU: 5618.75, 0.0032048/step Wall: 5618.75, 0.0032048/step, 2.88111 hours remaining, 241.078125 MB of memory in use. ENERGY: 1763600 4022.9820 20501.2982 14456.5097 261.5703 -203383.0019 2572.9647 0.0000 0.0000 51979.8179 -109587.8591 298.7287 -161567.6770 -109231.2902 298.9594 55.2281 79.1477 762028.3423 4.7027 4.9028 PRESSURE: 1763800 -34.0324 6.93597 110.691 6.93573 -101.157 105.02 110.691 105.019 -138.014 GPRESSURE: 1763800 9.82257 -114.683 195.675 -83.0125 -47.1667 -27.1564 14.3007 179.192 -150.373 PRESSAVG: 1763800 46.0608 -4.92245 -0.736946 -4.92246 -13.2696 -72.8896 -0.736947 -72.8896 -17.1509 GPRESSAVG: 1763800 45.7371 -4.94528 -0.713238 -5.03748 -12.2346 -72.5282 -2.03743 -70.5096 -17.8948 TIMING: 1763800 CPU: 5619.39, 0.00318367/step Wall: 5619.39, 0.00318367/step, 2.86194 hours remaining, 241.078125 MB of memory in use. ENERGY: 1763800 4061.8670 20490.1108 14409.8571 248.8959 -203217.7517 2466.9041 0.0000 0.0000 52039.1110 -109501.0058 299.0695 -161540.1168 -109143.8468 299.2847 -91.0680 -62.5722 761324.1223 5.2134 5.2026 PRESSURE: 1764000 -131.551 -34.4225 94.9514 -34.4229 42.4993 -164.683 94.9502 -164.683 22.0366 GPRESSURE: 1764000 -94.4011 -53.6866 6.97321 -15.9945 94.042 -116.469 88.4721 -131.52 50.5874 PRESSAVG: 1764000 -50.5741 24.6941 65.4441 24.6941 22.591 -45.7949 65.4441 -45.7949 13.5583 GPRESSAVG: 1764000 -51.5159 24.2117 63.717 25.9347 23.4932 -46.0039 65.7791 -44.1201 13.284 TIMING: 1764000 CPU: 5620.02, 0.00317889/step Wall: 5620.02, 0.00317889/step, 2.85747 hours remaining, 241.078125 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: 1764000 3960.0172 20601.1082 14378.2627 242.1081 -203469.6173 2635.8027 0.0000 0.0000 52158.2856 -109494.0329 299.7544 -161652.3185 -109141.1029 299.4533 -22.3385 16.7428 762314.2344 -4.8083 -4.9129 PRESSURE: 1764200 -308.658 -40.5701 -131.978 -40.5709 -164.057 96.4078 -131.978 96.4086 116.347 GPRESSURE: 1764200 -285.199 47.8913 -27.4502 -68.6419 -160.895 113.861 -127.522 25.6695 168.773 PRESSAVG: 1764200 -89.271 2.96779 34.1137 2.96771 4.89929 45.4146 34.1136 45.4145 4.48415 GPRESSAVG: 1764200 -88.5178 3.8082 36.3193 1.06476 3.743 46.243 35.6268 41.6565 5.08148 TIMING: 1764200 CPU: 5620.66, 0.00318964/step Wall: 5620.66, 0.00318964/step, 2.86695 hours remaining, 241.078125 MB of memory in use. ENERGY: 1764200 3977.8667 20509.3970 14475.8620 258.4284 -203484.8181 2542.5575 0.0000 0.0000 52083.2477 -109637.4588 299.3231 -161720.7065 -109272.4738 299.3900 -118.7894 -92.4402 759824.9057 -26.6292 -26.5644 LDB: ============= START OF LOAD BALANCING ============== 5633.12 LDB: ============== END OF LOAD BALANCING =============== 5633.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5633.12 LDB: ============= START OF LOAD BALANCING ============== 5633.43 LDB: Largest compute 7059 load 0.036914 is 18.9% of average load 0.195093 LDB: Average compute 0.004420 is 2.3% of average load 0.195093 LDB: TIME 5633.44 LOAD: AVG 0.195093 MAX 0.21476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.375 MB LDB: TIME 5633.44 LOAD: AVG 0.195093 MAX 0.21476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.414 MB LDB: TIME 5633.44 LOAD: AVG 0.195093 MAX 0.21476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.414 MB LDB: ============== END OF LOAD BALANCING =============== 5633.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5633.44 PRESSURE: 1764400 -193.464 -82.6845 30.9151 -82.6844 -98.2608 361.4 30.9148 361.401 431.585 GPRESSURE: 1764400 -39.5191 -41.0382 -83.1003 -132.236 -117.126 319.919 198.927 474.114 378.185 PRESSAVG: 1764400 -51.7299 -14.8038 50.5312 -14.8038 3.84811 45.0762 50.5311 45.0762 7.55093 GPRESSAVG: 1764400 -52.1925 -15.5887 49.2313 -14.9076 5.09533 44.517 49.9468 46.9992 6.8587 TIMING: 1764400 CPU: 5621.31, 0.00324002/step Wall: 5621.31, 0.00324002/step, 2.91205 hours remaining, 240.257812 MB of memory in use. ENERGY: 1764400 3906.3447 20456.0171 14395.7418 258.8946 -203368.7939 2740.5608 0.0000 0.0000 51712.2725 -109898.9624 297.1911 -161611.2349 -109544.2740 298.6115 46.6200 73.8464 761795.7390 -13.4436 -13.4128 PRESSURE: 1764600 133.946 348.461 161.194 348.461 60.9952 -107.781 161.194 -107.782 221.417 GPRESSURE: 1764600 186.578 296.207 124.819 276.72 92.4465 -99.4768 247.562 -115.429 208.506 PRESSAVG: 1764600 -9.05404 -8.81733 16.3292 -8.81737 27.0125 -1.20343 16.3292 -1.20348 11.321 GPRESSAVG: 1764600 -8.04078 -11.3805 16.336 -6.46413 25.7026 0.371744 14.6409 -2.94616 11.8984 TIMING: 1764600 CPU: 5621.95, 0.00319276/step Wall: 5621.95, 0.00319276/step, 2.8694 hours remaining, 240.257812 MB of memory in use. ENERGY: 1764600 3975.7599 20472.1575 14432.8814 244.3425 -203711.5407 2707.3117 0.0000 0.0000 52121.7144 -109757.3734 299.5442 -161879.0877 -109395.7420 298.1635 138.7862 162.5102 761595.1601 9.7598 9.8534 PRESSURE: 1764800 50.8472 -64.0164 -128.499 -64.0165 -488.693 -230.507 -128.499 -230.507 27.1099 GPRESSURE: 1764800 71.0283 -68.8192 -130.564 24.6219 -406.006 -78.2499 -194.699 -269.532 15.7191 PRESSAVG: 1764800 10.528 33.5186 7.76461 33.5186 -19.9161 -60.2323 7.76462 -60.2323 7.59516 GPRESSAVG: 1764800 9.87331 33.235 9.22771 33.0854 -18.6632 -61.6522 7.6758 -58.9616 7.783 TIMING: 1764800 CPU: 5622.59, 0.00319262/step Wall: 5622.59, 0.00319262/step, 2.8691 hours remaining, 240.257812 MB of memory in use. ENERGY: 1764800 3902.3375 20363.8575 14373.6740 252.0260 -203415.8430 2473.7110 0.0000 0.0000 52051.7377 -109998.4992 299.1421 -162050.2369 -109640.1803 298.7558 -136.9118 -106.4197 761415.1094 -0.5976 -0.3356 PRESSURE: 1765000 20.0148 7.90657 -102.026 7.90556 -126.076 -102.887 -102.025 -102.886 224.488 GPRESSURE: 1765000 76.0335 -66.0338 -113.366 114.159 -117.773 -43.5059 15.3964 -157.051 248.429 PRESSAVG: 1765000 -6.80626 -9.06488 -49.4614 -9.0649 -2.99217 16.5042 -49.4615 16.5042 -9.63698 GPRESSAVG: 1765000 -6.54784 -7.92521 -50.2679 -7.69513 -3.33885 16.4687 -47.7405 15.595 -9.25526 TIMING: 1765000 CPU: 5623.23, 0.00323747/step Wall: 5623.23, 0.00323747/step, 2.90923 hours remaining, 240.257812 MB of memory in use. ENERGY: 1765000 3945.0988 20422.3170 14462.4103 252.9109 -203443.8695 2566.7859 0.0000 0.0000 51931.9683 -109862.3783 298.4537 -161794.3467 -109503.0469 298.4711 39.4755 68.8967 760823.1335 -6.4785 -6.3806 PRESSURE: 1765200 -370.212 -78.9731 -85.5564 -78.9735 108.876 -123.926 -85.5563 -123.926 411.724 GPRESSURE: 1765200 -297.807 -101.16 -72.7447 -141.47 146.298 -128.484 -105.405 -95.1864 399.853 PRESSAVG: 1765200 -8.0122 -11.4596 -16.5707 -11.4596 -24.345 -42.4027 -16.5707 -42.4028 11.658 GPRESSAVG: 1765200 -8.48239 -12.8241 -15.476 -11.7282 -24.0175 -43.0204 -16.8275 -42.583 11.4377 TIMING: 1765200 CPU: 5623.87, 0.00320479/step Wall: 5623.87, 0.00320479/step, 2.87968 hours remaining, 240.257812 MB of memory in use. ENERGY: 1765200 3902.6763 20481.1127 14489.5618 253.2746 -203136.4310 2373.0872 0.0000 0.0000 51794.7161 -109842.0023 297.6649 -161636.7184 -109475.3590 298.5379 50.1296 82.7813 760802.7019 -6.8997 -7.0207 PRESSURE: 1765400 179.566 -134.958 -172.35 -134.96 -5.69971 305.685 -172.351 305.685 -186.406 GPRESSURE: 1765400 158.154 -133.097 -115.982 -176.109 5.12265 253.263 -249.165 354.275 -90.2621 PRESSAVG: 1765400 18.3568 -15.9094 -10.573 -15.9094 -10.8921 49.9883 -10.573 49.9882 -21.2151 GPRESSAVG: 1765400 18.2521 -13.1583 -9.93762 -17.0163 -11.2768 50.4328 -11.1769 52.3622 -20.2856 TIMING: 1765400 CPU: 5624.51, 0.00318693/step Wall: 5624.51, 0.00318693/step, 2.86346 hours remaining, 240.257812 MB of memory in use. ENERGY: 1765400 3934.7819 20312.2586 14409.5048 230.1391 -203240.6098 2520.5964 0.0000 0.0000 51992.8165 -109840.5124 298.8034 -161833.3289 -109477.1929 298.5429 -4.1797 24.3381 761247.4037 -4.5835 -4.4368 PRESSURE: 1765600 213.335 -154.066 248.116 -154.065 -293.981 -152.225 248.115 -152.225 165.394 GPRESSURE: 1765600 263.111 -172.284 249.133 -79.7349 -261.108 -116.457 210.323 -33.296 161.018 PRESSAVG: 1765600 8.89344 -44.3942 -34.9104 -44.3942 -43.9508 -29.5537 -34.9105 -29.5537 2.22466 GPRESSAVG: 1765600 8.53666 -45.0137 -35.551 -43.5128 -43.6992 -30.0766 -35.8617 -29.5225 2.31128 TIMING: 1765600 CPU: 5625.15, 0.00320962/step Wall: 5625.15, 0.00320962/step, 2.88366 hours remaining, 240.257812 MB of memory in use. ENERGY: 1765600 3901.0325 20452.5582 14391.5218 273.7177 -203205.0495 2394.7546 0.0000 0.0000 51932.9164 -109858.5483 298.4592 -161791.4647 -109495.1691 298.2560 28.2494 54.3404 762356.5510 -10.9442 -10.9504 PRESSURE: 1765800 44.1741 -47.0836 -219.847 -47.0836 -212.592 -12.4671 -219.846 -12.4667 368.159 GPRESSURE: 1765800 -5.68441 66.6391 -332.31 -106.534 -81.5016 0.959738 -172.854 22.073 376.153 PRESSAVG: 1765800 38.7646 2.34827 -14.5835 2.34829 -26.9095 -26.6263 -14.5835 -26.6263 -5.89366 GPRESSAVG: 1765800 40.8538 2.09389 -15.3286 2.47606 -27.8791 -27.03 -13.2469 -28.3435 -6.88917 TIMING: 1765800 CPU: 5625.79, 0.00320068/step Wall: 5625.79, 0.00320068/step, 2.87546 hours remaining, 240.257812 MB of memory in use. ENERGY: 1765800 3957.8098 20484.0086 14532.3679 248.4872 -203670.5736 2845.6190 0.0000 0.0000 51883.2124 -109719.0686 298.1735 -161602.2810 -109363.2832 298.2650 66.5803 96.3223 761696.0041 1.9872 2.0285 PRESSURE: 1766000 -115.451 -6.09464 168.98 -6.09539 -318.144 41.1562 168.98 41.1558 -131.665 GPRESSURE: 1766000 -66.7612 -75.8328 145.743 63.555 -266.829 38.7675 54.7736 -25.2588 -144.511 PRESSAVG: 1766000 18.9896 -23.2565 -10.3611 -23.2566 -36.5403 12.1567 -10.3612 12.1566 -12.4128 GPRESSAVG: 1766000 18.5424 -23.421 -9.38192 -22.9886 -36.1845 13.8082 -11.9397 11.9713 -12.7178 TIMING: 1766000 CPU: 5626.44, 0.00321652/step Wall: 5626.44, 0.00321652/step, 2.88951 hours remaining, 240.257812 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: 1766000 4052.2285 20484.5154 14476.2087 247.3409 -203671.1225 2758.9325 0.0000 0.0000 52093.3262 -109558.5702 299.3811 -161651.8964 -109206.1026 298.9369 -188.4202 -159.3672 761049.2633 -9.9878 -10.1200 PRESSURE: 1766200 129.126 -88.6763 -182.193 -88.6756 333.339 -56.8751 -182.193 -56.8752 259.715 GPRESSURE: 1766200 167.464 23.2664 -200.044 -148.232 373.727 27.1509 -17.1993 -41.581 288.685 PRESSAVG: 1766200 -0.867581 -31.0062 25.4579 -31.0062 -1.06509 7.13375 25.4579 7.13366 -12.6123 GPRESSAVG: 1766200 -1.46819 -29.752 24.6362 -32.1394 -1.2425 7.85356 28.2911 5.83888 -11.6015 TIMING: 1766200 CPU: 5627.08, 0.00320743/step Wall: 5627.08, 0.00320743/step, 2.88116 hours remaining, 240.257812 MB of memory in use. ENERGY: 1766200 3971.6685 20448.8237 14413.2606 247.5180 -203948.8006 3060.0747 0.0000 0.0000 52217.2381 -109590.2170 300.0932 -161807.4551 -109214.1304 299.1630 240.7271 276.6253 761414.8827 -4.8483 -4.7707 PRESSURE: 1766400 -242.48 90.9891 3.23538 90.9902 222.828 47.5089 3.23606 47.5094 188.387 GPRESSURE: 1766400 -197.174 84.0786 112.575 25.3109 321.803 -4.64528 6.73106 -89.2922 125.374 PRESSAVG: 1766400 16.0455 -37.9262 9.59712 -37.9262 12.2286 -19.3951 9.5971 -19.3951 33.8885 GPRESSAVG: 1766400 15.222 -36.7378 11.0379 -40.1968 12.8761 -19.9192 7.40902 -20.4485 33.4782 TIMING: 1766400 CPU: 5627.72, 0.00318194/step Wall: 5627.72, 0.00318194/step, 2.85809 hours remaining, 240.257812 MB of memory in use. ENERGY: 1766400 3998.3734 20416.4388 14384.6274 244.9300 -203925.1679 2898.2722 0.0000 0.0000 52333.8135 -109648.7126 300.7631 -161982.5261 -109271.2215 299.6201 56.2450 83.3347 760928.0562 20.7209 20.5254 PRESSURE: 1766600 -197.781 43.2599 14.0102 43.2603 142.088 13.5159 14.0103 13.5177 208.199 GPRESSURE: 1766600 -124.994 -15.3697 33.8791 38.5231 220.393 9.30483 -191.459 28.0823 133.444 PRESSAVG: 1766600 55.1069 -39.379 -9.10502 -39.379 -15.3675 -26.2794 -9.10495 -26.2794 47.4702 GPRESSAVG: 1766600 55.5001 -41.0618 -10.2564 -38.0252 -15.685 -26.9563 -8.95323 -23.5025 47.675 TIMING: 1766600 CPU: 5628.35, 0.00317416/step Wall: 5628.35, 0.00317416/step, 2.85093 hours remaining, 240.257812 MB of memory in use. ENERGY: 1766600 3966.2903 20340.8257 14480.8014 242.2007 -203663.3268 2776.0428 0.0000 0.0000 52211.3662 -109645.7996 300.0594 -161857.1658 -109275.9210 299.2598 50.8352 76.2811 761311.8316 29.0699 29.1634 PRESSURE: 1766800 65.6523 173.03 102.799 173.03 15.5395 157.702 102.799 157.701 166.287 GPRESSURE: 1766800 183.601 258.493 101.461 155.677 -38.9813 197.168 24.8784 234.678 189.401 PRESSAVG: 1766800 -6.14883 14.82 -5.71175 14.82 -21.7687 -8.43034 -5.7118 -8.43033 -3.75934 GPRESSAVG: 1766800 -5.13749 17.1284 -5.86182 16.242 -22.7149 -8.44955 -5.5107 -10.8789 -4.05167 TIMING: 1766800 CPU: 5628.98, 0.00317403/step Wall: 5628.98, 0.00317403/step, 2.85063 hours remaining, 240.257812 MB of memory in use. ENERGY: 1766800 3968.3946 20653.7347 14425.6782 250.2104 -203546.4470 2704.1232 0.0000 0.0000 52021.1672 -109523.1388 298.9664 -161544.3060 -109170.4773 299.6522 82.4931 111.3404 760768.9364 -10.5590 -10.6347 PRESSURE: 1767000 -217.09 23.7348 -37.1016 23.7364 -26.4381 -156.138 -37.1024 -156.139 148.21 GPRESSURE: 1767000 -200.323 -16.3957 -48.1815 1.43283 54.2747 -133.232 104.313 -116.283 152.913 PRESSAVG: 1767000 -27.4956 -12.2331 -29.7082 -12.2331 -5.48726 33.1632 -29.7082 33.1632 9.72817 GPRESSAVG: 1767000 -28.2731 -13.2144 -29.98 -14.3951 -5.51264 34.2412 -29.6375 36.0305 10.1026 TIMING: 1767000 CPU: 5629.62, 0.00319664/step Wall: 5629.62, 0.00319665/step, 2.87077 hours remaining, 240.257812 MB of memory in use. ENERGY: 1767000 3951.6195 20380.8286 14468.5880 248.5062 -203637.9210 2701.4197 0.0000 0.0000 52122.2337 -109764.7255 299.5472 -161886.9592 -109399.4671 298.8017 -31.7727 2.2882 759967.3444 -7.7516 -7.8944 PRESSURE: 1767200 -294.237 -84.0142 -72.7352 -84.0142 -52.4408 -84.6757 -72.7355 -84.6762 -523.011 GPRESSURE: 1767200 -296.174 45.4808 -30.2519 33.2196 17.9511 -87.9458 -66.2398 -84.7232 -506.221 PRESSAVG: 1767200 1.81288 -6.46457 -11.2067 -6.46455 -19.085 -30.2873 -11.2067 -30.2872 8.70932 GPRESSAVG: 1767200 1.98885 -7.53955 -11.5982 -5.24989 -19.0929 -31.68 -10.8241 -30.443 8.53349 TIMING: 1767200 CPU: 5630.27, 0.00320734/step Wall: 5630.27, 0.00320734/step, 2.88019 hours remaining, 240.257812 MB of memory in use. ENERGY: 1767200 3947.4632 20418.3274 14411.8063 228.1302 -203138.4325 2318.2873 0.0000 0.0000 51963.4325 -109850.9856 298.6346 -161814.4181 -109491.5370 298.7399 -289.8960 -261.4814 760526.2574 -2.8543 -2.8568 PRESSURE: 1767400 -20.8123 150.867 -90.482 150.866 -56.8053 191.261 -90.4829 191.261 211.695 GPRESSURE: 1767400 10.1654 223.499 -77.0942 145.667 -33.8017 223.045 -127.931 164.318 251.358 PRESSAVG: 1767400 74.5251 1.85744 -47.7587 1.85743 -49.6432 -45.6388 -47.7587 -45.6389 -5.28224 GPRESSAVG: 1767400 74.6971 2.553 -48.5242 1.78878 -50.6744 -43.7435 -47.9613 -47.6544 -5.01476 TIMING: 1767400 CPU: 5630.9, 0.00317132/step Wall: 5630.9, 0.00317132/step, 2.84767 hours remaining, 240.257812 MB of memory in use. ENERGY: 1767400 3937.2167 20444.5663 14424.6292 238.3848 -203227.7301 2518.1650 0.0000 0.0000 51848.2914 -109816.4766 297.9728 -161664.7680 -109460.9126 298.3447 44.6923 75.9074 761331.0136 6.5332 6.3360 PRESSURE: 1767600 -626.95 94.3276 18.8417 94.3278 84.1576 18.7935 18.8419 18.7924 34.9985 GPRESSURE: 1767600 -431.999 61.509 -0.301734 170.199 31.8522 81.2464 143.178 -2.51215 -10.9442 PRESSAVG: 1767600 -13.868 -10.5246 -32.2764 -10.5246 35.7916 32.0096 -32.2764 32.0096 -1.55177 GPRESSAVG: 1767600 -12.9614 -11.2014 -31.0463 -9.80817 35.9251 31.193 -31.6894 33.1549 -2.54175 TIMING: 1767600 CPU: 5631.53, 0.00316106/step Wall: 5631.53, 0.00316106/step, 2.83828 hours remaining, 240.257812 MB of memory in use. ENERGY: 1767600 4017.6435 20386.9462 14453.4097 248.3196 -203153.5572 2383.4860 0.0000 0.0000 51826.0684 -109837.6839 297.8451 -161663.7523 -109478.1140 298.5375 -169.2646 -137.0305 760875.4224 6.7906 6.8073 PRESSURE: 1767800 -29.5968 -117.038 -102.413 -117.038 -232.746 -131.849 -102.413 -131.848 -146.808 GPRESSURE: 1767800 -39.1488 -143.152 -98.6645 18.7527 -150.189 -121.308 -58.1247 -215.609 -151.745 PRESSAVG: 1767800 -26.617 21.9652 21.9259 21.9652 20.6377 -13.7508 21.9259 -13.7509 9.16341 GPRESSAVG: 1767800 -27.5437 23.2528 23.5927 23.0351 21.1799 -14.1751 23.0528 -14.9297 9.36051 TIMING: 1767800 CPU: 5632.16, 0.00316277/step Wall: 5632.16, 0.00316277/step, 2.83964 hours remaining, 240.257812 MB of memory in use. ENERGY: 1767800 3984.2621 20371.3065 14368.5678 271.9860 -203388.6658 2575.4183 0.0000 0.0000 52099.7257 -109717.3994 299.4178 -161817.1252 -109349.9502 298.4505 -136.3837 -113.6944 760744.0623 1.0614 0.9989 PRESSURE: 1768000 239.636 55.3726 -56.5015 55.373 -20.5724 -44.9221 -56.5022 -44.9215 -14.7094 GPRESSURE: 1768000 328 -26.6744 -19.3025 82.0704 -10.9068 -61.3936 -23.2977 64.8313 -16.7677 PRESSAVG: 1768000 41.1781 1.3138 -8.75391 1.31379 -62.0934 -12.5375 -8.75393 -12.5374 9.0561 GPRESSAVG: 1768000 41.6032 -1.05287 -10.5128 2.18596 -62.7442 -10.6087 -10.1656 -12.8988 9.06946 TIMING: 1768000 CPU: 5632.8, 0.00318416/step Wall: 5632.8, 0.00318416/step, 2.85867 hours remaining, 240.257812 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: 1768000 3988.2915 20547.1120 14433.1063 224.2549 -203329.6665 2687.6705 0.0000 0.0000 51814.2868 -109634.9445 297.7774 -161449.2313 -109277.6717 298.8609 68.1181 100.1086 760161.8284 -3.9531 -4.0239 PRESSURE: 1768200 122.996 -63.2593 -102.681 -63.2584 100.243 50.8626 -102.681 50.8617 -78.5894 GPRESSURE: 1768200 142.165 -22.0246 -43.084 15.9011 114.419 76.731 -70.2803 129.983 -53.2583 PRESSAVG: 1768200 -5.94993 7.39991 47.7726 7.39988 58.8893 60.7772 47.7726 60.7772 38.9278 GPRESSAVG: 1768200 -6.45751 8.35745 47.5466 6.25199 57.7961 58.4465 45.6336 64.9598 39.8606 TIMING: 1768200 CPU: 5633.44, 0.00318627/step Wall: 5633.44, 0.00318628/step, 2.86039 hours remaining, 240.257812 MB of memory in use. ENERGY: 1768200 3961.1335 20488.8901 14462.4136 247.4941 -203461.1946 2692.0618 0.0000 0.0000 52013.4339 -109595.7677 298.9219 -161609.2016 -109244.8413 298.9266 48.2166 67.7753 760410.3192 30.6224 30.3997 LDB: ============= START OF LOAD BALANCING ============== 5645.89 LDB: ============== END OF LOAD BALANCING =============== 5645.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5645.89 LDB: ============= START OF LOAD BALANCING ============== 5646.21 LDB: Largest compute 7059 load 0.035423 is 18.2% of average load 0.195058 LDB: Average compute 0.004432 is 2.3% of average load 0.195058 LDB: TIME 5646.22 LOAD: AVG 0.195058 MAX 0.214232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.898 MB LDB: TIME 5646.22 LOAD: AVG 0.195058 MAX 0.214232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.898 MB LDB: TIME 5646.22 LOAD: AVG 0.195058 MAX 0.214232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.898 MB LDB: ============== END OF LOAD BALANCING =============== 5646.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5646.22 PRESSURE: 1768400 -114.344 -66.6162 26.4341 -66.6171 -325.194 347.932 26.4348 347.933 -181.948 GPRESSURE: 1768400 -105.211 -37.5018 57.3257 40.5952 -206.268 264.44 -51.7208 209.857 -230.364 PRESSAVG: 1768400 22.8728 34.6845 2.32839 34.6845 -18.5081 9.98031 2.3284 9.98034 -16.1101 GPRESSAVG: 1768400 22.8216 35.0704 2.59482 36.4209 -17.4025 10.6371 3.43763 5.57936 -17.8435 TIMING: 1768400 CPU: 5634.09, 0.00324456/step Wall: 5634.09, 0.00324456/step, 2.91254 hours remaining, 240.769531 MB of memory in use. ENERGY: 1768400 4055.0213 20554.1890 14506.4019 247.5189 -203671.0556 2600.7872 0.0000 0.0000 52111.8349 -109595.3024 299.4874 -161707.1373 -109232.3810 299.4969 -207.1620 -180.6143 760739.1544 -3.9151 -4.1415 PRESSURE: 1768600 243.651 87.382 185.6 87.3825 -77.2638 -88.8987 185.601 -88.8992 73.9297 GPRESSURE: 1768600 287.256 69.1346 260.409 57.4978 -39.2054 1.15319 95.5535 82.711 62.5501 PRESSAVG: 1768600 27.3038 -29.9344 7.10413 -29.9343 -38.7315 -5.72538 7.10418 -5.72537 7.18202 GPRESSAVG: 1768600 26.912 -28.7985 8.11195 -32.9594 -39.2538 -5.47462 6.86515 -3.5065 8.04359 TIMING: 1768600 CPU: 5634.72, 0.00317169/step Wall: 5634.72, 0.00317169/step, 2.84695 hours remaining, 240.972656 MB of memory in use. ENERGY: 1768600 4042.0580 20489.6529 14477.1449 252.5044 -203476.5605 2622.9431 0.0000 0.0000 51916.0311 -109676.2262 298.3621 -161592.2572 -109318.4275 299.4249 80.1057 103.5336 758751.2756 -1.4152 -1.4327 PRESSURE: 1768800 362.038 -131.213 -21.662 -131.212 228.61 8.1936 -21.6628 8.19334 -193.59 GPRESSURE: 1768800 371.295 -141.562 -49.9903 -120.903 235.002 42.9478 44.5227 -17.1737 -146.241 PRESSAVG: 1768800 -20.4142 59.0397 10.9263 59.0397 -12.2389 18.0157 10.9263 18.0158 4.43235 GPRESSAVG: 1768800 -19.765 57.8482 10.457 59.1713 -10.5142 18.1626 12.6654 16.49 1.98783 TIMING: 1768800 CPU: 5635.36, 0.00318232/step Wall: 5635.36, 0.00318232/step, 2.85631 hours remaining, 240.972656 MB of memory in use. ENERGY: 1768800 3928.6698 20533.7587 14417.6625 252.9238 -203871.4429 3176.3726 0.0000 0.0000 51987.5390 -109574.5165 298.7731 -161562.0555 -109203.6589 298.9372 132.3524 153.3519 761336.3553 -9.4069 -9.4305 PRESSURE: 1769000 238.767 -263.774 -103.394 -263.774 -186.914 -94.2858 -103.394 -94.2847 131.485 GPRESSURE: 1769000 257.647 -264.917 -153.434 -257.845 -161.612 -90.5302 -126.009 -133.419 166.225 PRESSAVG: 1769000 3.57721 2.10675 -55.6683 2.10673 -17.2759 13.9822 -55.6683 13.9823 24.7603 GPRESSAVG: 1769000 3.14657 4.58121 -56.6717 2.27248 -18.9966 14.5997 -56.5787 14.9909 26.9265 TIMING: 1769000 CPU: 5635.99, 0.00317692/step Wall: 5635.99, 0.00317692/step, 2.85128 hours remaining, 240.972656 MB of memory in use. ENERGY: 1769000 3996.2457 20434.8949 14389.5952 265.9124 -203565.2652 2808.8126 0.0000 0.0000 52089.8957 -109579.9086 299.3613 -161669.8043 -109225.0766 298.9908 61.1126 87.4198 760658.1489 3.6872 3.6922 PRESSURE: 1769200 -328.748 69.864 -111.371 69.8643 -50.527 62.7186 -111.371 62.7187 -69.4214 GPRESSURE: 1769200 -227.198 7.40213 -129.491 209.042 -94.197 21.1564 -55.8019 64.2821 -26.1812 PRESSAVG: 1769200 69.904 7.13763 -26.1992 7.13765 -30.1936 6.42309 -26.1992 6.42314 -12.808 GPRESSAVG: 1769200 71.609 5.92773 -26.0913 7.32535 -30.5086 6.14946 -23.0741 7.78895 -14.22 TIMING: 1769200 CPU: 5636.63, 0.00317523/step Wall: 5636.63, 0.00317523/step, 2.84959 hours remaining, 240.972656 MB of memory in use. ENERGY: 1769200 3995.8971 20581.3217 14496.7371 252.5109 -203249.6476 2368.0111 0.0000 0.0000 52089.5969 -109465.5727 299.3596 -161555.1696 -109110.1939 299.6349 -149.5654 -115.8587 761109.9545 8.9675 8.9601 PRESSURE: 1769400 -309.347 84.2992 -82.5032 84.2996 -201.678 -100.262 -82.5028 -100.262 -178.424 GPRESSURE: 1769400 -202.302 63.2823 -49.7968 215.194 -193.934 -68.7572 -149.157 -86.9044 -192.984 PRESSAVG: 1769400 30.0751 30.5812 -36.3939 30.5812 -35.9182 34.0299 -36.3939 34.0299 3.24141 GPRESSAVG: 1769400 29.048 30.441 -33.6479 30.3421 -36.344 34.686 -40.2822 33.1412 4.8762 TIMING: 1769400 CPU: 5637.27, 0.00319938/step Wall: 5637.27, 0.00319938/step, 2.87109 hours remaining, 240.972656 MB of memory in use. ENERGY: 1769400 4023.6859 20306.1220 14459.8250 251.3606 -202937.6347 2396.9113 0.0000 0.0000 52113.3041 -109386.4257 299.4959 -161499.7298 -109014.6421 299.4662 -229.8163 -196.4067 762144.4297 -0.8673 -0.8066 PRESSURE: 1769600 122.181 38.3284 114.273 38.3281 -17.4773 25.6184 114.272 25.6191 153.122 GPRESSURE: 1769600 132.542 137.191 121.972 -33.787 122.502 36.7452 25.066 52.4922 81.5032 PRESSAVG: 1769600 11.4375 1.25157 -64.6487 1.25155 20.4223 -15.8378 -64.6487 -15.8378 2.63062 GPRESSAVG: 1769600 11.3553 2.06015 -64.9049 0.329028 20.801 -15.0346 -65.3938 -17.2814 2.76529 TIMING: 1769600 CPU: 5637.91, 0.00320728/step Wall: 5637.91, 0.00320728/step, 2.878 hours remaining, 240.972656 MB of memory in use. ENERGY: 1769600 3997.5707 20501.7037 14419.2976 257.3514 -203334.0121 2902.9883 0.0000 0.0000 51743.1414 -109511.9590 297.3685 -161255.1004 -109153.4987 299.6503 85.9420 112.1824 761077.7680 11.4968 11.6405 PRESSURE: 1769800 -256.641 21.3355 140.945 21.3354 -496.552 -149.361 140.945 -149.36 -134.136 GPRESSURE: 1769800 -271.555 -0.351872 125.816 86.1771 -432.962 -153.425 105.895 -11.2708 -98.4852 PRESSAVG: 1769800 -12.4528 -31.5717 -32.7826 -31.5717 -11.8642 -18.3637 -32.7826 -18.3638 -2.71309 GPRESSAVG: 1769800 -11.2612 -34.7564 -33.4326 -29.2743 -11.6107 -19.7681 -29.6426 -18.0832 -4.26545 TIMING: 1769800 CPU: 5638.55, 0.00318096/step Wall: 5638.55, 0.00318096/step, 2.8542 hours remaining, 240.972656 MB of memory in use. ENERGY: 1769800 4123.6160 20419.5758 14343.0352 255.7986 -202897.0068 2250.1491 0.0000 0.0000 51812.6853 -109692.1468 297.7682 -161504.8321 -109333.8925 299.3039 -295.7762 -267.6676 760127.1475 -9.0101 -9.0458 PRESSURE: 1770000 70.6542 123.473 188.042 123.472 -251.613 270.28 188.042 270.28 -60.8804 GPRESSURE: 1770000 78.4373 25.944 186.535 -22.4416 -233.174 291.113 87.2574 199.029 -4.85453 PRESSAVG: 1770000 -7.12537 -66.0253 41.132 -66.0253 -31.973 -6.22803 41.1319 -6.22797 4.15119 GPRESSAVG: 1770000 -7.69932 -64.0846 40.1286 -68.5444 -31.7975 -6.63484 39.2748 -5.39412 4.72601 TIMING: 1770000 CPU: 5639.18, 0.00317379/step Wall: 5639.18, 0.00317379/step, 2.8476 hours remaining, 240.972656 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: 1770000 4060.8375 20498.6694 14458.0435 256.7683 -203317.6421 2371.9284 0.0000 0.0000 51995.5749 -109675.8201 298.8193 -161671.3950 -109321.0707 298.7501 -80.6129 -53.1971 760363.2918 -11.6491 -11.5903 PRESSURE: 1770200 372.79 68.8079 -46.283 68.8088 -84.5834 290.699 -46.2834 290.698 154.549 GPRESSURE: 1770200 339.481 76.3374 -52.4765 40.1235 21.2665 285.996 39.1753 235.607 153.378 PRESSAVG: 1770200 45.1303 21.49 -22.2258 21.49 -37.3118 18.2753 -22.2257 18.2753 -23.8157 GPRESSAVG: 1770200 45.0685 19.2633 -22.7009 22.6342 -37.9465 20.855 -21.4192 16.3983 -23.2647 TIMING: 1770200 CPU: 5639.82, 0.00320862/step Wall: 5639.82, 0.00320862/step, 2.87867 hours remaining, 240.972656 MB of memory in use. ENERGY: 1770200 3969.8538 20457.3877 14414.9184 235.5115 -203220.3885 2523.1008 0.0000 0.0000 51927.4460 -109692.1702 298.4277 -161619.6163 -109339.9641 298.5074 147.5851 171.3753 760493.6614 -5.3324 -5.3809 PRESSURE: 1770400 37.2869 -151.57 -30.9745 -151.569 80.182 38.5156 -30.9743 38.514 -29.1221 GPRESSURE: 1770400 15.4764 -150.566 47.3599 62.2608 167.584 98.5913 -24.0362 104.476 -6.47318 PRESSAVG: 1770400 51.8453 -8.41542 26.647 -8.41543 -76.4371 3.8208 26.6469 3.82072 -18.6744 GPRESSAVG: 1770400 50.4873 -5.7956 28.4999 -9.18957 -75.8506 3.21126 26.1323 4.41809 -17.8854 TIMING: 1770400 CPU: 5640.46, 0.00317726/step Wall: 5640.46, 0.00317726/step, 2.85035 hours remaining, 240.972656 MB of memory in use. ENERGY: 1770400 3972.4793 20388.1965 14386.5342 242.0910 -203686.3546 2919.1338 0.0000 0.0000 51883.8427 -109894.0772 298.1772 -161777.9198 -109522.2044 298.6543 29.4489 58.8624 759993.6777 -14.4220 -14.4162 PRESSURE: 1770600 -132.763 -74.2177 110.336 -74.217 -45.994 -56.3364 110.337 -56.3352 273.207 GPRESSURE: 1770600 -107.66 -121.671 153.909 -164.686 44.8747 -118.239 101.979 -55.9954 249.696 PRESSAVG: 1770600 -4.35194 -44.3607 55.5087 -44.3607 28.4237 -28.3025 55.5086 -28.3025 25.0576 GPRESSAVG: 1770600 -2.91487 -46.8225 53.3713 -43.1898 28.097 -28.5143 54.863 -27.4499 23.6447 TIMING: 1770600 CPU: 5641.09, 0.00317587/step Wall: 5641.09, 0.00317587/step, 2.84893 hours remaining, 240.972656 MB of memory in use. ENERGY: 1770600 3999.6598 20283.6186 14398.5223 240.7776 -203526.2012 2697.8167 0.0000 0.0000 51968.5296 -109937.2766 298.6639 -161905.8062 -109573.0308 298.2356 31.4833 62.3035 761970.8308 16.3765 16.2756 PRESSURE: 1770800 322.193 -141.479 -33.7221 -141.478 388.673 140.225 -33.7217 140.226 688.004 GPRESSURE: 1770800 366.973 -193.174 -73.658 -98.026 480.88 216.085 63.7428 153.618 627.725 PRESSAVG: 1770800 29.9029 -72.6803 27.9054 -72.6803 -25.5355 29.4569 27.9054 29.457 8.13136 GPRESSAVG: 1770800 29.0258 -69.7225 30.7236 -72.0581 -24.3401 28.1532 27.0643 30.7848 8.05514 TIMING: 1770800 CPU: 5641.74, 0.00324111/step Wall: 5641.74, 0.0032411/step, 2.90727 hours remaining, 240.972656 MB of memory in use. ENERGY: 1770800 3933.9876 20398.9688 14429.0044 226.6771 -203821.6560 3049.8382 0.0000 0.0000 52006.4775 -109776.7025 298.8819 -161783.1800 -109414.8893 298.3600 466.2899 491.8590 761093.7358 4.1663 4.2470 PRESSURE: 1771000 257.064 -72.7924 -87.9945 -72.7926 196.722 198.054 -87.994 198.054 -78.6649 GPRESSURE: 1771000 283.722 -23.2733 -130.659 -142.879 262.627 111.332 -8.30805 169.176 -89.295 PRESSAVG: 1771000 23.1904 -67.6631 86.0867 -67.6631 63.9756 -1.62301 86.0867 -1.62306 -5.98641 GPRESSAVG: 1771000 24.0538 -68.0896 83.9171 -69.3505 63.2874 -0.248176 87.3081 -3.88588 -5.98991 TIMING: 1771000 CPU: 5642.39, 0.00323038/step Wall: 5642.39, 0.00323038/step, 2.89747 hours remaining, 240.972656 MB of memory in use. ENERGY: 1771000 3898.0210 20370.2794 14415.6019 231.6223 -203475.6275 2930.0407 0.0000 0.0000 51908.1204 -109721.9419 298.3167 -161630.0623 -109347.3199 298.2065 125.0406 152.3515 760535.0036 27.0599 27.1171 PRESSURE: 1771200 35.5561 -82.677 21.0719 -82.6774 -0.0709941 74.6349 21.0727 74.6348 -93.818 GPRESSURE: 1771200 91.2116 -79.7149 66.4501 -115.428 9.71494 38.4285 -10.0125 42.7984 -81.7592 PRESSAVG: 1771200 9.48099 -92.4398 62.189 -92.4398 -29.6944 6.25819 62.1891 6.25812 30.9166 GPRESSAVG: 1771200 10.4597 -94.5743 62.5337 -91.8239 -30.0884 6.01609 62.1639 3.43996 30.7887 TIMING: 1771200 CPU: 5643.03, 0.00319775/step Wall: 5643.03, 0.00319775/step, 2.86802 hours remaining, 240.972656 MB of memory in use. ENERGY: 1771200 3986.7161 20435.0486 14440.0042 247.9157 -202877.8313 2308.3157 0.0000 0.0000 51852.6187 -109607.2123 297.9977 -161459.8310 -109255.4829 298.4555 -19.4443 6.3891 760394.0001 3.5677 3.7200 PRESSURE: 1771400 -198.563 124.5 -124.944 124.501 -173.022 131.416 -124.944 131.418 97.6431 GPRESSURE: 1771400 -211.904 71.0845 -156.102 196.943 -177.505 95.9839 -102.817 242.498 194.067 PRESSAVG: 1771400 -18.9384 -33.0981 4.66806 -33.098 -8.74662 80.8935 4.66811 80.8935 -7.50528 GPRESSAVG: 1771400 -20.8758 -31.1278 5.15264 -32.7638 -7.75799 80.7923 4.3162 84.9611 -6.46657 TIMING: 1771400 CPU: 5643.67, 0.00321985/step Wall: 5643.67, 0.00321985/step, 2.88767 hours remaining, 240.972656 MB of memory in use. ENERGY: 1771400 4002.1603 20477.4661 14460.2864 240.4853 -203102.7526 2539.5570 0.0000 0.0000 51932.8497 -109449.9477 298.4588 -161382.7974 -109089.8150 299.2254 -91.3139 -65.1142 761125.0928 -11.7301 -11.7001 PRESSURE: 1771600 -59.1403 47.8361 -167.433 47.8366 -75.5004 -30.5881 -167.434 -30.5886 -31.2703 GPRESSURE: 1771600 55.0717 25.2226 -110.888 136.946 -129.645 65.2897 -167.715 34.749 2.67576 PRESSAVG: 1771600 10.8116 -3.71767 -51.5194 -3.71762 2.51119 28.9035 -51.5194 28.9035 -9.2547 GPRESSAVG: 1771600 12.3016 -4.43793 -51.5003 -4.19951 1.39196 29.3024 -50.2069 28.6151 -8.93804 TIMING: 1771600 CPU: 5644.31, 0.00317092/step Wall: 5644.31, 0.00317092/step, 2.84361 hours remaining, 240.972656 MB of memory in use. ENERGY: 1771600 3958.1536 20294.9703 14405.0723 225.5633 -203001.4481 2352.4669 0.0000 0.0000 52005.5026 -109759.7193 298.8763 -161765.2218 -109399.8184 299.1214 -55.3036 -23.9658 760339.1624 1.3560 1.5852 PRESSURE: 1771800 -216.401 59.8546 85.7782 59.855 -361.811 221.4 85.7779 221.399 -137.206 GPRESSURE: 1771800 -266.38 92.827 -87.6534 -23.4295 -228.717 140.446 237.594 159.563 -139.927 PRESSAVG: 1771800 -16.9728 17.6104 -24.4935 17.6104 -5.7151 51.317 -24.4935 51.317 -13.3303 GPRESSAVG: 1771800 -17.3253 18.8029 -25.8619 16.473 -4.47095 51.9216 -24.1931 49.8671 -14.3025 TIMING: 1771800 CPU: 5644.94, 0.00318023/step Wall: 5644.94, 0.00318023/step, 2.85178 hours remaining, 240.972656 MB of memory in use. ENERGY: 1771800 4010.5761 20422.0511 14421.5150 244.1836 -203280.0452 2641.3561 0.0000 0.0000 51909.4628 -109630.9005 298.3244 -161540.3632 -109270.0960 298.4128 -238.4726 -211.6744 763853.4095 -12.0061 -12.0329 PRESSURE: 1772000 352.127 207.266 -11.1936 207.266 455.406 -8.37187 -11.194 -8.37232 3.02477 GPRESSURE: 1772000 444.061 131.879 -88.1541 225.449 458.879 63.865 25.289 -13.3827 -17.739 PRESSAVG: 1772000 20.4028 -15.3675 -45.3915 -15.3675 13.3929 18.5305 -45.3916 18.5304 7.57409 GPRESSAVG: 1772000 19.7843 -17.257 -47.0292 -14.5444 13.0712 17.8899 -45.669 16.8088 8.43084 TIMING: 1772000 CPU: 5645.58, 0.00318852/step Wall: 5645.58, 0.00318852/step, 2.85904 hours remaining, 240.972656 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: 1772000 3935.5421 20370.8281 14472.3289 246.1845 -203566.7443 2987.8890 0.0000 0.0000 51762.4159 -109791.5558 297.4793 -161553.9718 -109435.1179 298.9440 270.1860 295.0671 761897.8871 13.7899 13.7621 PRESSURE: 1772200 -178.637 -131.903 -25.4242 -131.903 -236.648 -76.3616 -25.4251 -76.3613 -125.35 GPRESSURE: 1772200 -67.6563 -185.771 -76.1351 -29.0926 -261.067 -113.047 -56.2485 78.2565 -124.281 PRESSAVG: 1772200 44.0839 -40.6076 -57.7911 -40.6076 -48.5232 50.5922 -57.7911 50.5922 15.0285 GPRESSAVG: 1772200 47.057 -41.0859 -56.4213 -40.169 -50.186 50.3869 -57.8836 54.4058 14.3244 TIMING: 1772200 CPU: 5646.22, 0.00321188/step Wall: 5646.22, 0.00321188/step, 2.8798 hours remaining, 240.972656 MB of memory in use. ENERGY: 1772200 3919.2077 20442.3611 14403.2109 230.0389 -203076.5563 2201.2986 0.0000 0.0000 52125.1421 -109755.2970 299.5639 -161880.4391 -109388.1483 298.7067 -180.2115 -151.0014 761105.2486 3.5297 3.7318 LDB: ============= START OF LOAD BALANCING ============== 5658.68 LDB: ============== END OF LOAD BALANCING =============== 5658.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5658.68 LDB: ============= START OF LOAD BALANCING ============== 5659 LDB: Largest compute 7034 load 0.038095 is 19.5% of average load 0.195007 LDB: Average compute 0.004451 is 2.3% of average load 0.195007 LDB: TIME 5659 LOAD: AVG 0.195007 MAX 0.219629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.285 MB LDB: TIME 5659 LOAD: AVG 0.195007 MAX 0.219629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.285 MB LDB: TIME 5659 LOAD: AVG 0.195007 MAX 0.217616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.285 MB LDB: ============== END OF LOAD BALANCING =============== 5659 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5659.01 PRESSURE: 1772400 -19.3465 171.543 -63.7382 171.544 -175.631 43.9136 -63.7383 43.9147 -321.178 GPRESSURE: 1772400 3.29499 139.873 -57.4435 236.373 -138.77 34.5438 -62.0925 -124.475 -316.367 PRESSAVG: 1772400 20.4878 -20.8041 7.78339 -20.8041 -17.5705 49.688 7.78339 49.6879 -18.0101 GPRESSAVG: 1772400 18.1247 -21.8177 8.0232 -19.258 -16.0433 50.2144 8.46343 47.4005 -16.9172 TIMING: 1772400 CPU: 5646.87, 0.00325518/step Wall: 5646.87, 0.00325518/step, 2.91845 hours remaining, 240.000000 MB of memory in use. ENERGY: 1772400 3977.1386 20493.2322 14383.7523 230.0795 -203205.4959 2715.3966 0.0000 0.0000 51690.2447 -109715.6519 297.0645 -161405.8967 -109360.4032 298.4921 -172.0520 -150.6141 761830.2517 -5.0309 -4.9452 PRESSURE: 1772600 -278.261 -61.4489 31.4063 -61.4485 -221.511 27.8941 31.4079 27.893 -348.299 GPRESSURE: 1772600 -202.741 22.6121 17.0699 4.5986 -173.873 30.2728 -29.367 -71.2348 -402.462 PRESSAVG: 1772600 12.6154 11.225 30.7413 11.225 -20.0136 9.71096 30.7413 9.71094 -9.64888 GPRESSAVG: 1772600 13.1683 12.19 30.8699 10.686 -20.6275 9.09837 28.187 11.9233 -9.25322 TIMING: 1772600 CPU: 5647.52, 0.00323466/step Wall: 5647.52, 0.00323466/step, 2.89987 hours remaining, 240.000000 MB of memory in use. ENERGY: 1772600 3951.7871 20453.8454 14369.6430 240.0322 -203007.3571 2349.6548 0.0000 0.0000 52107.2228 -109535.1718 299.4609 -161642.3946 -109176.9283 298.6377 -282.6903 -259.6917 762920.8443 -5.6824 -5.5708 PRESSURE: 1772800 -91.4152 10.2521 -55.5305 10.2511 -76.1392 203.695 -55.5306 203.695 -59.4917 GPRESSURE: 1772800 -81.3223 -31.6378 -15.9611 -20.0311 27.3633 250.75 104.236 278.411 -101.847 PRESSAVG: 1772800 36.5663 -1.08152 14.0696 -1.08153 -42.7763 34.5993 14.0697 34.5993 -24.8782 GPRESSAVG: 1772800 36.944 -3.4535 15.9476 -1.31624 -42.2113 33.8576 12.4138 34.8582 -25.2554 TIMING: 1772800 CPU: 5648.16, 0.0032178/step Wall: 5648.16, 0.0032178/step, 2.88458 hours remaining, 240.000000 MB of memory in use. ENERGY: 1772800 3914.4634 20467.1382 14404.7548 233.8218 -202956.3598 2267.3146 0.0000 0.0000 51916.5934 -109752.2735 298.3654 -161668.8669 -109398.3179 298.9458 -75.6820 -51.9353 761758.8221 -10.3627 -10.1742 PRESSURE: 1773000 -151.948 59.0413 -95.6497 59.0418 -30.2777 40.8523 -95.6492 40.8522 232.177 GPRESSURE: 1773000 -100.445 11.1408 -137.93 73.3385 -11.6371 110.608 -77.5037 46.4157 251.76 PRESSAVG: 1773000 -22.7904 -29.7245 -8.49986 -29.7244 3.06099 51.691 -8.49993 51.691 20.4275 GPRESSAVG: 1773000 -22.2716 -25.6601 -10.7098 -31.3317 2.58566 52.514 -6.20153 49.0167 20.2849 TIMING: 1773000 CPU: 5648.8, 0.00317921/step Wall: 5648.8, 0.00317921/step, 2.84981 hours remaining, 240.000000 MB of memory in use. ENERGY: 1773000 4009.1470 20581.2385 14393.1294 248.9927 -203316.7119 2672.4559 0.0000 0.0000 51879.3713 -109532.3771 298.1515 -161411.7484 -109171.9836 298.8380 16.6503 46.5591 761380.0559 0.2327 0.1997 PRESSURE: 1773200 173.782 59.0909 -173.28 59.0915 76.2597 71.0148 -173.28 71.015 241.977 GPRESSURE: 1773200 146.234 88.5053 -100.151 7.01774 190.347 87.0657 -298.37 125.8 230.424 PRESSAVG: 1773200 36.0833 -18.524 -35.8329 -18.5239 18.2303 44.2711 -35.8329 44.2712 8.26733 GPRESSAVG: 1773200 34.9731 -19.4707 -35.2042 -18.5472 19.8872 44.8619 -35.0303 43.6679 7.47458 TIMING: 1773200 CPU: 5649.43, 0.00317513/step Wall: 5649.43, 0.00317513/step, 2.84598 hours remaining, 240.000000 MB of memory in use. ENERGY: 1773200 4021.8544 20407.3843 14486.6595 233.2861 -203520.6993 2762.7130 0.0000 0.0000 52042.8747 -109565.9273 299.0911 -161608.8020 -109208.1812 299.4374 164.0062 189.0019 758116.2426 20.8603 20.7783 PRESSURE: 1773400 -193.113 -24.7581 -159.936 -24.7577 -54.3181 33.2661 -159.935 33.2659 -44.6582 GPRESSURE: 1773400 -101.773 5.00651 -141.487 -21.9885 -131.363 -42.5822 -257.054 155.329 9.26037 PRESSAVG: 1773400 -1.62329 -20.0167 -19.8227 -20.0166 -17.2828 17.3575 -19.8227 17.3575 -12.2843 GPRESSAVG: 1773400 -1.07687 -21.0275 -19.3029 -18.0214 -18.975 17.3453 -19.4669 19.0054 -11.1061 TIMING: 1773400 CPU: 5650.07, 0.00319885/step Wall: 5650.07, 0.00319885/step, 2.86706 hours remaining, 240.000000 MB of memory in use. ENERGY: 1773400 3998.7422 20692.0918 14399.9075 239.9986 -203573.0014 2611.6703 0.0000 0.0000 52268.9511 -109361.6398 300.3904 -161630.5909 -108996.4222 299.6481 -97.3631 -74.6253 759606.0120 -10.3968 -10.3860 PRESSURE: 1773600 -235.135 -131.344 22.3256 -131.344 -92.4298 15.3938 22.3258 15.3925 -20.3108 GPRESSURE: 1773600 -322.287 -37.066 31.5412 -152.581 -16.1889 -9.80329 -2.83616 24.0892 65.6027 PRESSAVG: 1773600 -33.7842 -67.9998 -37.1782 -67.9998 8.38889 21.7022 -37.1782 21.7023 9.12316 GPRESSAVG: 1773600 -34.7474 -66.3026 -36.4489 -68.8047 9.74055 22.4547 -38.3873 20.1106 8.90111 TIMING: 1773600 CPU: 5650.72, 0.0032093/step Wall: 5650.72, 0.0032093/step, 2.87624 hours remaining, 240.000000 MB of memory in use. ENERGY: 1773600 3977.2894 20687.3568 14457.9094 235.3139 -203433.5116 2375.9432 0.0000 0.0000 52089.0436 -109610.6552 299.3564 -161699.6989 -109247.0512 299.8220 -115.9587 -90.9576 761936.8209 -5.4241 -5.3686 PRESSURE: 1773800 -111.718 -173.966 35.2996 -173.966 -151.52 39.258 35.3005 39.2581 -418.352 GPRESSURE: 1773800 -46.5003 -157.316 9.97709 -137.328 -255.509 55.1308 -40.9045 -133.425 -284.093 PRESSAVG: 1773800 49.3991 -29.7135 22.5803 -29.7135 -16.1078 20.3325 22.5804 20.3325 9.58839 GPRESSAVG: 1773800 49.5326 -31.2164 21.0629 -29.4187 -16.4978 20.2124 21.3692 20.8654 9.61381 TIMING: 1773800 CPU: 5651.35, 0.00319502/step Wall: 5651.35, 0.00319502/step, 2.86327 hours remaining, 240.000000 MB of memory in use. ENERGY: 1773800 4038.3639 20561.9930 14438.7803 250.5383 -203737.0936 2620.8942 0.0000 0.0000 52073.4143 -109753.1095 299.2666 -161826.5238 -109385.5461 299.6700 -227.1966 -195.3673 761089.7345 14.2932 14.2162 PRESSURE: 1774000 -349.039 91.2945 -16.584 91.2947 -182.467 -72.2783 -16.5835 -72.2785 12.563 GPRESSURE: 1774000 -273.767 18.9012 10.3466 -34.8516 -162.276 -154.67 -10.5834 -33.0598 -5.57969 PRESSAVG: 1774000 23.8213 -38.5156 51.4617 -38.5155 -48.7379 18.1556 51.4617 18.1557 -1.24385 GPRESSAVG: 1774000 25.5512 -38.5961 51.3696 -40.3143 -49.2259 16.4446 51.6224 18.5367 -2.64356 TIMING: 1774000 CPU: 5652, 0.00320983/step Wall: 5652, 0.00320983/step, 2.87636 hours remaining, 240.000000 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: 1774000 3942.4400 20490.6315 14431.3092 246.1753 -203925.3834 2797.9092 0.0000 0.0000 52157.3628 -109859.5555 299.7491 -162016.9182 -109494.8406 298.8363 -172.9810 -147.2075 761384.2765 -8.7201 -8.7728 PRESSURE: 1774200 269.152 -88.5035 134.795 -88.5037 -314.273 -27.8257 134.795 -27.8249 246.587 GPRESSURE: 1774200 230.668 -106.231 85.2309 -36.299 -211.016 -76.2736 120.68 -0.948276 268.017 PRESSAVG: 1774200 -20.8161 -4.36241 16.5179 -4.36241 34.7644 10.6804 16.5179 10.6806 8.88332 GPRESSAVG: 1774200 -23.2144 -1.60257 16.5103 -3.06893 36.1318 10.9597 18.6394 10.9477 9.69174 TIMING: 1774200 CPU: 5652.64, 0.00320728/step Wall: 5652.64, 0.00320728/step, 2.8739 hours remaining, 240.000000 MB of memory in use. ENERGY: 1774200 4027.1121 20423.5704 14466.7112 255.5049 -203487.2480 2526.3682 0.0000 0.0000 51815.5033 -109972.4780 297.7844 -161787.9813 -109614.0044 298.5035 67.1554 95.8900 760664.1127 7.6105 7.5364 PRESSURE: 1774400 172.785 -14.669 56.4878 -14.6691 -52.7934 145.194 56.488 145.193 -333.99 GPRESSURE: 1774400 70.2461 9.7137 111.623 72.0401 52.3462 123.956 -4.94605 98.8022 -259.347 PRESSAVG: 1774400 -46.9697 -55.1119 42.0543 -55.1119 29.4804 56.91 42.0543 56.91 -9.87005 GPRESSAVG: 1774400 -47.3493 -56.5058 42.0033 -54.0055 29.7201 57.5826 38.945 56.7489 -10.235 TIMING: 1774400 CPU: 5653.28, 0.00319439/step Wall: 5653.28, 0.00319439/step, 2.86218 hours remaining, 240.000000 MB of memory in use. ENERGY: 1774400 4030.6940 20559.0474 14428.5592 243.4320 -203421.3509 2563.8067 0.0000 0.0000 51617.0910 -109978.7207 296.6441 -161595.8117 -109621.0793 298.2584 -71.3325 -45.5850 761370.9537 -9.1198 -9.2881 PRESSURE: 1774600 -44.3668 -18.9599 -107.28 -18.9594 -233.04 212.777 -107.28 212.778 -93.3669 GPRESSURE: 1774600 48.2175 -18.8217 -81.4161 -93.2321 -260.902 268.114 -48.7698 171.655 -67.1304 PRESSAVG: 1774600 -3.08339 16.359 -12.5468 16.359 -7.41175 16.4263 -12.5469 16.4264 -20.5485 GPRESSAVG: 1774600 -2.31102 15.7926 -11.0758 15.0827 -8.29976 16.6592 -13.201 16.1478 -19.8488 TIMING: 1774600 CPU: 5653.92, 0.00320483/step Wall: 5653.92, 0.00320483/step, 2.87135 hours remaining, 240.000000 MB of memory in use. ENERGY: 1774600 4020.7478 20603.0305 14362.3989 243.0039 -203617.7571 2583.8052 0.0000 0.0000 51810.4006 -109994.3703 297.7551 -161804.7709 -109634.3560 298.4576 -123.5911 -93.2715 760382.7594 -10.3479 -10.1532 PRESSURE: 1774800 329.718 50.3557 -136.502 50.3556 422.476 -66.515 -136.503 -66.5156 65.3581 GPRESSURE: 1774800 340.801 39.9947 -43.2735 0.0513028 478.38 -55.1459 -66.7934 10.8007 79.4574 PRESSAVG: 1774800 -9.6552 12.6456 2.45823 12.6457 4.37515 -2.53277 2.45824 -2.53272 -19.296 GPRESSAVG: 1774800 -7.87657 12.6972 2.09448 12.6203 3.96639 -2.94696 3.77939 -2.66194 -20.8738 TIMING: 1774800 CPU: 5654.56, 0.00320674/step Wall: 5654.56, 0.00320674/step, 2.87288 hours remaining, 240.000000 MB of memory in use. ENERGY: 1774800 3960.6620 20319.1922 14422.3049 252.0123 -204085.9742 2967.0656 0.0000 0.0000 52042.1237 -110122.6135 299.0868 -162164.7372 -109764.9144 298.3613 272.5174 299.5464 761450.1392 -8.1920 -8.2613 PRESSURE: 1775000 -208.86 151.621 -31.8589 151.621 -61.8138 -6.46198 -31.8587 -6.4617 129.163 GPRESSURE: 1775000 -183.128 137.093 -120.422 96.3726 0.559522 -40.2423 -6.61287 -113.827 110.345 PRESSAVG: 1775000 -2.54206 5.74826 -7.7311 5.7482 -35.2196 -46.9187 -7.73119 -46.9186 -7.25241 GPRESSAVG: 1775000 -3.45621 6.04301 -7.62846 5.21402 -35.8195 -44.9503 -7.68075 -48.4328 -5.40619 TIMING: 1775000 CPU: 5655.2, 0.0032053/step Wall: 5655.2, 0.0032053/step, 2.87142 hours remaining, 240.000000 MB of memory in use. ENERGY: 1775000 3990.7877 20561.9325 14438.3632 245.5510 -204033.5881 2711.1924 0.0000 0.0000 51968.4142 -110117.3471 298.6632 -162085.7613 -109754.6468 298.2860 -47.1702 -24.0745 760840.2128 -15.0047 -14.8940 PRESSURE: 1775200 -217.752 -78.7199 -74.6766 -78.7207 98.1797 32.7148 -74.6766 32.7141 328.503 GPRESSURE: 1775200 -217.866 -151.645 -136.96 -74.8091 112.663 26.7053 65.012 19.1977 390.485 PRESSAVG: 1775200 28.443 -53.6521 -4.53049 -53.6521 18.9966 -62.0939 -4.53052 -62.0939 -11.0731 GPRESSAVG: 1775200 28.6929 -53.8736 -5.60394 -53.1932 18.6529 -65.2769 -3.08007 -62.2515 -11.4299 TIMING: 1775200 CPU: 5655.84, 0.00318728/step Wall: 5655.84, 0.00318728/step, 2.85509 hours remaining, 240.000000 MB of memory in use. ENERGY: 1775200 3950.0389 20510.2341 14454.4174 256.9844 -203666.5634 2603.1206 0.0000 0.0000 52111.1041 -109780.6638 299.4832 -161891.7679 -109404.3699 298.5197 69.6435 95.0941 758793.5114 12.1222 11.9720 PRESSURE: 1775400 75.5731 -148.767 59.1378 -148.767 254.973 77.7011 59.1378 77.7023 -28.9322 GPRESSURE: 1775400 80.8368 -248.767 42.5365 -159.297 269.444 235.224 37.8773 -38.7322 40.7864 PRESSAVG: 1775400 -24.3445 -37.8929 16.0664 -37.8929 33.0586 -28.2023 16.0664 -28.2022 -16.1171 GPRESSAVG: 1775400 -24.7746 -37.5393 17.7564 -38.1165 33.1483 -26.7339 13.6758 -27.2214 -15.6133 TIMING: 1775400 CPU: 5656.48, 0.00323036/step Wall: 5656.48, 0.00323036/step, 2.8935 hours remaining, 240.000000 MB of memory in use. ENERGY: 1775400 3975.1613 20587.2368 14431.6417 244.3095 -203671.1164 2517.8002 0.0000 0.0000 52037.4021 -109877.5647 299.0597 -161914.9668 -109524.8540 299.3833 100.5379 130.3558 758359.8062 -2.4677 -2.4132 PRESSURE: 1775600 -212.255 55.058 -104.548 55.0577 -40.6399 -133.68 -104.547 -133.681 -215.778 GPRESSURE: 1775600 -93.5354 -15.7138 -164.768 -1.39127 -82.9757 -83.6306 29.2105 -181.244 -203.757 PRESSAVG: 1775600 1.16075 8.43517 50.6795 8.43511 30.4739 27.8087 50.6794 27.8087 11.9322 GPRESSAVG: 1775600 1.20146 5.16083 49.3621 8.47617 30.5333 29.0645 51.6535 27.6205 11.811 TIMING: 1775600 CPU: 5657.12, 0.00318365/step Wall: 5657.12, 0.00318365/step, 2.85148 hours remaining, 240.000000 MB of memory in use. ENERGY: 1775600 4021.3368 20386.1259 14427.4856 263.6524 -203549.9285 2661.0870 0.0000 0.0000 51826.1766 -109964.0641 297.8457 -161790.2407 -109594.6136 298.4621 -156.2244 -126.7559 759696.6070 14.5223 14.5153 PRESSURE: 1775800 -68.7485 -51.2924 33.6725 -51.293 -188.078 105.096 33.6721 105.095 -296.741 GPRESSURE: 1775800 -168.221 -10.2683 137.149 -58.0092 -62.8816 79.2239 -202.535 14.9901 -238.764 PRESSAVG: 1775800 -15.6585 1.92518 -69.9837 1.92522 11.7378 -5.12494 -69.9837 -5.12493 -9.70816 GPRESSAVG: 1775800 -16.3194 2.86649 -69.1345 1.81498 12.8811 -6.52286 -68.8915 -4.90525 -10.4787 TIMING: 1775800 CPU: 5657.76, 0.00321298/step Wall: 5657.76, 0.00321298/step, 2.87758 hours remaining, 240.000000 MB of memory in use. ENERGY: 1775800 4028.9610 20591.6469 14471.8390 239.4742 -203193.8140 2204.1967 0.0000 0.0000 51855.6494 -109802.0468 298.0151 -161657.6963 -109443.7275 298.5172 -184.5225 -156.6220 759915.1696 -4.5429 -4.6390 PRESSURE: 1776000 -363.373 -18.847 -204.999 -18.8465 10.3798 -43.9792 -204.999 -43.9793 64.4114 GPRESSURE: 1776000 -286.966 -56.5349 -188.851 30.4247 15.5677 -80.1599 -216.147 -95.5961 81.331 PRESSAVG: 1776000 -13.3057 4.2691 -15.7964 4.26921 -11.5635 -40.6572 -15.7965 -40.6571 0.599624 GPRESSAVG: 1776000 -12.6326 6.70383 -16.0327 5.12409 -12.4586 -40.3406 -18.1194 -42.1944 0.294597 TIMING: 1776000 CPU: 5658.4, 0.00318521/step Wall: 5658.4, 0.00318521/step, 2.85253 hours remaining, 240.000000 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: 1776000 3976.4869 20444.4621 14440.3537 243.2992 -203726.1206 2717.2729 0.0000 0.0000 52017.0131 -109887.2327 298.9425 -161904.2458 -109530.6808 298.2306 -96.1938 -63.3557 759432.5828 -8.0899 -8.2655 PRESSURE: 1776200 157.194 13.986 -31.0261 13.9845 452.239 -47.1397 -31.026 -47.1399 72.146 GPRESSURE: 1776200 229.207 109.556 2.50416 -107.087 440.952 -125.219 5.9344 74.6203 120.362 PRESSAVG: 1776200 -17.8602 44.6731 -41.7376 44.6732 49.7019 -14.0788 -41.7376 -14.0789 -15.0702 GPRESSAVG: 1776200 -17.7606 45.1042 -42.7239 40.6697 49.7731 -14.2002 -39.7043 -12.1248 -15.1567 TIMING: 1776200 CPU: 5659.04, 0.00319733/step Wall: 5659.04, 0.00319732/step, 2.8632 hours remaining, 240.000000 MB of memory in use. ENERGY: 1776200 3999.1733 20479.5442 14480.5951 253.8056 -203778.9027 2862.2191 0.0000 0.0000 51963.5052 -109740.0603 298.6350 -161703.5654 -109380.1078 299.1170 227.1930 263.5069 759002.2923 5.5905 5.6186 LDB: ============= START OF LOAD BALANCING ============== 5671.49 LDB: ============== END OF LOAD BALANCING =============== 5671.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5671.5 LDB: ============= START OF LOAD BALANCING ============== 5671.82 LDB: Largest compute 7034 load 0.036458 is 18.7% of average load 0.195221 LDB: Average compute 0.004436 is 2.3% of average load 0.195221 LDB: TIME 5671.82 LOAD: AVG 0.195221 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.051 MB LDB: TIME 5671.82 LOAD: AVG 0.195221 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: TIME 5671.82 LOAD: AVG 0.195221 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: ============== END OF LOAD BALANCING =============== 5671.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5671.83 PRESSURE: 1776400 -233.813 46.6697 -136.471 46.6696 129.412 198.557 -136.472 198.557 -68.0254 GPRESSURE: 1776400 -94.776 75.8617 -80.203 117.728 8.25865 217.467 -248.279 282.976 0.116105 PRESSAVG: 1776400 -34.55 -12.4703 -4.56848 -12.4703 -1.44602 79.9011 -4.56849 79.9011 24.9803 GPRESSAVG: 1776400 -35.7439 -12.671 -2.93259 -7.76879 -0.4346 80.5352 -4.08387 80.1915 24.656 TIMING: 1776400 CPU: 5659.69, 0.00327041/step Wall: 5659.69, 0.00327041/step, 2.92847 hours remaining, 241.339844 MB of memory in use. ENERGY: 1776400 4038.1532 20393.5027 14393.9823 256.5578 -203405.0516 2485.2939 0.0000 0.0000 51901.6542 -109935.9074 298.2795 -161837.5616 -109583.1486 298.4119 -57.4754 -28.8004 761727.6658 -3.6719 -3.8408 PRESSURE: 1776600 64.3783 144.993 -136.326 144.993 -130.575 -203.727 -136.325 -203.729 590.049 GPRESSURE: 1776600 35.864 116.421 -103.818 58.2133 -44.6725 -229.215 -132.42 -152.228 627.614 PRESSAVG: 1776600 36.2181 -29.1895 -10.3989 -29.1895 39.4131 -9.96017 -10.3989 -9.96014 -34.6861 GPRESSAVG: 1776600 36.7189 -31.797 -11.315 -30.4485 38.7695 -11.3418 -10.6 -9.42871 -34.2932 TIMING: 1776600 CPU: 5660.33, 0.00316597/step Wall: 5660.33, 0.00316597/step, 2.83477 hours remaining, 241.339844 MB of memory in use. ENERGY: 1776600 3873.1785 20290.7104 14433.2634 234.3285 -203889.2869 2717.0907 0.0000 0.0000 52344.6002 -109996.1153 300.8251 -162340.7154 -109617.7620 298.4229 174.6177 206.2684 759644.2962 13.6484 13.7317 PRESSURE: 1776800 -154.847 -121.445 155.116 -121.445 75.9338 -291.696 155.117 -291.695 118.543 GPRESSURE: 1776800 -15.0088 -163.311 108.604 -217.022 75.7705 -247.689 149.508 -273.195 55.364 PRESSAVG: 1776800 2.06943 -31.9735 -28.5671 -31.9736 4.60858 -14.2701 -28.5671 -14.2702 4.76287 GPRESSAVG: 1776800 3.75069 -29.6111 -29.3988 -35.0375 2.96351 -13.8518 -28.952 -14.495 5.09383 TIMING: 1776800 CPU: 5660.96, 0.00317061/step Wall: 5660.96, 0.00317061/step, 2.83875 hours remaining, 241.339844 MB of memory in use. ENERGY: 1776800 3928.1876 20627.7173 14539.1156 274.4792 -203513.7184 2420.6478 0.0000 0.0000 51865.5532 -109858.0177 298.0720 -161723.5709 -109506.7129 298.3277 13.2098 38.7085 759940.7841 3.8136 3.9360 PRESSURE: 1777000 -418.753 -235.568 -74.3816 -235.568 -82.9626 59.19 -74.3805 59.1906 -262.355 GPRESSURE: 1777000 -459.627 -253.53 -61.5042 -321.769 -15.3679 11.2204 106.74 26.4239 -199.39 PRESSAVG: 1777000 -16.4901 -26.473 -10.0858 -26.4731 30.8733 -54.9774 -10.0858 -54.9774 20.2349 GPRESSAVG: 1777000 -18.2949 -27.6358 -8.87523 -24.916 31.7942 -53.4322 -11.0687 -58.1148 20.9281 TIMING: 1777000 CPU: 5661.6, 0.00319473/step Wall: 5661.6, 0.00319473/step, 2.86017 hours remaining, 241.339844 MB of memory in use. ENERGY: 1777000 4072.2289 20561.5825 14515.3874 246.9843 -203574.7457 2482.1431 0.0000 0.0000 52048.9333 -109647.4863 299.1259 -161696.4196 -109284.4304 298.7182 -254.6901 -224.7948 759798.5355 11.5394 11.4758 PRESSURE: 1777200 291.082 -104.098 -67.6395 -104.098 -93.386 77.7177 -67.639 77.718 -188.644 GPRESSURE: 1777200 330.557 -169.299 27.2769 -142.911 -15.3862 117.766 -97.1992 60.0754 -221.084 PRESSAVG: 1777200 -55.3594 -56.341 29.9661 -56.3411 40.3537 -58.3893 29.9661 -58.3893 -1.1978 GPRESSAVG: 1777200 -54.176 -55.9601 29.0444 -54.8303 40.032 -59.7993 31.8502 -56.3032 -1.40241 TIMING: 1777200 CPU: 5662.24, 0.00318102/step Wall: 5662.24, 0.00318102/step, 2.84772 hours remaining, 241.339844 MB of memory in use. ENERGY: 1777200 3987.1355 20443.7219 14439.4861 251.0238 -203727.7092 2739.3387 0.0000 0.0000 52281.1129 -109585.8902 300.4603 -161867.0032 -109216.4514 299.1498 3.0176 31.3625 761918.9617 -5.4011 -5.1821 PRESSURE: 1777400 -173.534 -21.43 -248.035 -21.4306 83.9755 -73.2376 -248.036 -73.2378 -98.3679 GPRESSURE: 1777400 -68.029 4.35419 -153.162 -4.57767 42.2185 -153.744 -192.629 -138.05 -64.8369 PRESSAVG: 1777400 -12.2222 -33.4983 -35.4354 -33.4982 -19.5046 1.67976 -35.4354 1.67974 1.35884 GPRESSAVG: 1777400 -11.817 -33.6994 -35.2337 -35.4057 -18.9753 2.92599 -37.045 0.299388 0.456532 TIMING: 1777400 CPU: 5662.87, 0.00318116/step Wall: 5662.87, 0.00318116/step, 2.84767 hours remaining, 241.339844 MB of memory in use. ENERGY: 1777400 3944.7779 20682.9823 14473.9594 234.9629 -203366.2363 2412.7271 0.0000 0.0000 51931.7178 -109685.1087 298.4523 -161616.8265 -109312.4566 299.4667 -62.6419 -30.2158 761796.6785 -10.1226 -10.1119 PRESSURE: 1777600 -283.508 79.217 -0.187517 79.2167 -170.198 114.027 -0.188367 114.027 -164.901 GPRESSURE: 1777600 -228.274 163.334 9.22959 42.411 -210.577 113.469 -130.361 232.517 -109.553 PRESSAVG: 1777600 21.1634 3.19431 -3.86284 3.19431 11.3802 21.7284 -3.86284 21.7283 3.00208 GPRESSAVG: 1777600 20.4978 2.16415 -2.58616 3.82754 12.0306 18.7572 -2.66839 25.0006 2.8611 TIMING: 1777600 CPU: 5663.51, 0.00316574/step Wall: 5663.51, 0.00316574/step, 2.83369 hours remaining, 241.339844 MB of memory in use. ENERGY: 1777600 4043.4843 20450.4316 14423.7852 226.9089 -203505.7218 2506.6583 0.0000 0.0000 51949.3873 -109905.0662 298.5538 -161854.4535 -109546.1661 298.8183 -206.2022 -182.8012 760609.0767 11.8486 11.7965 PRESSURE: 1777800 -291.9 -130.861 -178.83 -130.861 38.3425 -167.966 -178.829 -167.966 -33.9873 GPRESSURE: 1777800 -157.823 -139.831 -247.513 10.573 14.6151 -306.49 -179.951 -127.549 -65.5898 PRESSAVG: 1777800 -26.1054 21.1 -27.6992 21.1001 -18.5599 17.165 -27.6992 17.1651 4.67107 GPRESSAVG: 1777800 -25.3547 21.2591 -27.715 22.2782 -19.6853 18.728 -28.2488 14.7026 5.13734 TIMING: 1777800 CPU: 5664.14, 0.00315547/step Wall: 5664.14, 0.00315548/step, 2.82433 hours remaining, 241.339844 MB of memory in use. ENERGY: 1777800 3853.1814 20515.4834 14456.8748 242.7412 -203701.1828 2709.6410 0.0000 0.0000 52049.5091 -109873.7519 299.1292 -161923.2610 -109511.3722 298.3597 -95.8484 -69.5993 760556.6340 -13.3314 -13.3009 PRESSURE: 1778000 -145.065 -38.1137 -61.975 -38.1138 -27.296 133.105 -61.975 133.104 267.359 GPRESSURE: 1778000 -14.4467 -46.3534 -79.8316 48.2068 -85.2752 126.916 -50.1974 76.8554 278.767 PRESSAVG: 1778000 13.3777 3.87156 27.0794 3.87163 -17.6748 -15.8506 27.0794 -15.8506 -0.153857 GPRESSAVG: 1778000 12.945 5.02634 25.2087 2.79396 -18.1608 -16.0508 28.4493 -15.5983 0.236759 TIMING: 1778000 CPU: 5664.77, 0.00317817/step Wall: 5664.77, 0.00317817/step, 2.84446 hours remaining, 241.339844 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: 1778000 3955.0691 20510.1872 14565.8414 226.9258 -203754.0359 2705.5311 0.0000 0.0000 52054.6575 -109735.8239 299.1588 -161790.4814 -109368.6425 298.6459 31.6663 59.6816 761037.0636 -1.4836 -1.6597 PRESSURE: 1778200 -248.288 -31.9255 144.004 -31.9253 26.4274 -97.8785 144.003 -97.878 -225.983 GPRESSURE: 1778200 -260.675 53.9968 191.236 -40.988 78.6652 -59.7214 103.339 -123.194 -179.096 PRESSAVG: 1778200 -15.9693 -14.0588 9.45943 -14.0589 30.162 -32.3689 9.45944 -32.3689 15.6678 GPRESSAVG: 1778200 -16.3072 -16.4094 10.9862 -13.6917 31.1417 -30.6832 7.60049 -33.7908 15.2325 TIMING: 1778200 CPU: 5665.41, 0.00318424/step Wall: 5665.41, 0.00318424/step, 2.84972 hours remaining, 241.339844 MB of memory in use. ENERGY: 1778200 4001.3069 20605.2070 14370.7131 241.9878 -203411.0621 2374.9524 0.0000 0.0000 52056.4704 -109760.4245 299.1693 -161816.8949 -109404.5442 298.3281 -149.2812 -120.3687 760045.3100 9.9535 10.0223 PRESSURE: 1778400 180.126 -100.174 23.2882 -100.175 -256.263 -41.1397 23.2883 -41.1394 -44.8797 GPRESSURE: 1778400 225.087 -64.6492 -28.5301 -60.0362 -167.541 -196.743 -59.4287 4.86633 -73.0171 PRESSAVG: 1778400 -18.821 -19.823 8.30336 -19.823 29.3306 -36.1988 8.30333 -36.1988 11.2217 GPRESSAVG: 1778400 -18.9946 -17.0603 6.60076 -21.06 29.2245 -39.2869 8.66181 -34.1646 11.2969 TIMING: 1778400 CPU: 5666.05, 0.00318895/step Wall: 5666.05, 0.00318895/step, 2.85375 hours remaining, 241.339844 MB of memory in use. ENERGY: 1778400 4010.2896 20455.1051 14455.0922 256.8945 -203799.8979 2812.5252 0.0000 0.0000 52064.6209 -109745.3703 299.2161 -161809.9913 -109383.1781 298.5781 -40.3391 -5.1570 761492.7380 7.2438 7.1756 PRESSURE: 1778600 417.29 -52.4338 80.4344 -52.4341 232.341 -37.4118 80.4349 -37.413 -138.058 GPRESSURE: 1778600 395.433 -78.1208 83.717 -60.4078 283.093 -57.5979 79.1466 -34.325 -79.9622 PRESSAVG: 1778600 27.8607 -67.1544 -9.4157 -67.1543 -10.977 -55.3628 -9.41568 -55.3628 3.38731 GPRESSAVG: 1778600 27.9522 -68.2003 -8.01078 -66.8178 -10.3671 -53.5885 -8.64693 -54.4786 2.51695 TIMING: 1778600 CPU: 5666.68, 0.00318339/step Wall: 5666.68, 0.00318339/step, 2.8486 hours remaining, 241.339844 MB of memory in use. ENERGY: 1778600 3988.0241 20376.3789 14488.3967 252.6826 -203744.9078 2972.6530 0.0000 0.0000 52173.5428 -109493.2295 299.8421 -161666.7724 -109128.7342 298.5988 170.5246 199.5215 760788.5998 6.7570 6.7007 PRESSURE: 1778800 -297.057 -129.646 -224.009 -129.646 69.2985 86.7965 -224.008 86.7969 -131.626 GPRESSURE: 1778800 -233.963 -73.5318 -158.997 -127.835 91.2596 121.103 -163.276 85.6083 -126.88 PRESSAVG: 1778800 52.8678 9.87365 9.29882 9.87363 -0.996181 -39.3347 9.29877 -39.3347 -20.1807 GPRESSAVG: 1778800 53.5642 8.75224 10.2468 8.76647 -2.30342 -38.7474 6.89861 -40.6918 -19.4292 TIMING: 1778800 CPU: 5667.33, 0.00323349/step Wall: 5667.33, 0.00323349/step, 2.89325 hours remaining, 241.339844 MB of memory in use. ENERGY: 1778800 4036.9083 20532.6894 14454.6169 272.9693 -203528.3493 2728.9717 0.0000 0.0000 52026.7741 -109475.4195 298.9986 -161502.1936 -109105.5569 299.0651 -119.7947 -89.8613 760749.7188 10.5637 10.6106 PRESSURE: 1779000 102.564 -237.123 -90.4404 -237.122 -375.927 31.5704 -90.4407 31.5696 113.935 GPRESSURE: 1779000 107.482 -135.924 -74.7802 -314.877 -294.296 147.202 -74.1638 -41.135 125.202 PRESSAVG: 1779000 -22.2223 -19.3009 2.81507 -19.301 5.81917 -30.3338 2.815 -30.3338 4.4186 GPRESSAVG: 1779000 -22.907 -19.6044 1.57938 -17.9834 6.45679 -31.1898 5.35795 -30.4092 4.51221 TIMING: 1779000 CPU: 5667.97, 0.00318427/step Wall: 5667.97, 0.00318427/step, 2.84904 hours remaining, 241.339844 MB of memory in use. ENERGY: 1779000 4011.4514 20505.4962 14489.0258 262.9796 -203358.7703 2541.1025 0.0000 0.0000 52161.9075 -109386.8074 299.7752 -161548.7149 -109020.4476 299.7089 -53.1427 -20.5371 759885.8175 -3.9948 -3.9793 PRESSURE: 1779200 -170.291 47.1907 -20.9598 47.1899 -150.502 66.9059 -20.9603 66.9065 -54.6127 GPRESSURE: 1779200 -147.975 17.5932 -53.0869 56.7125 -187.679 1.97058 -59.362 151.767 28.6107 PRESSAVG: 1779200 13.3933 34.5351 -34.9504 34.5351 -36.3766 -46.0751 -34.9504 -46.0751 30.4326 GPRESSAVG: 1779200 14.106 36.2408 -37.751 33.6784 -37.0209 -46.1155 -35.0537 -44.1835 30.133 TIMING: 1779200 CPU: 5668.61, 0.00320926/step Wall: 5668.61, 0.00320926/step, 2.87122 hours remaining, 241.339844 MB of memory in use. ENERGY: 1779200 4030.1695 20457.1884 14446.1149 243.0157 -203129.1575 2536.9238 0.0000 0.0000 52083.8619 -109331.8833 299.3267 -161415.7452 -108965.4441 299.6715 -125.1355 -102.3477 760883.9229 2.4831 2.4060 PRESSURE: 1779400 40.0659 -116.804 11.1193 -116.805 87.1463 -264.71 11.1184 -264.71 67.3932 GPRESSURE: 1779400 82.161 -163.837 -8.70752 -69.6451 99.1539 -181.945 -75.3852 -210.197 95.9085 PRESSAVG: 1779400 -15.8797 -13.4796 -1.06678 -13.4797 26.3554 -14.0316 -1.0668 -14.0316 16.2196 GPRESSAVG: 1779400 -17.1946 -12.4276 1.52673 -12.1554 27.4249 -14.9373 -1.68441 -14.5305 16.517 TIMING: 1779400 CPU: 5669.25, 0.00319095/step Wall: 5669.25, 0.00319095/step, 2.85466 hours remaining, 241.339844 MB of memory in use. ENERGY: 1779400 3987.4113 20423.3095 14506.6137 250.3395 -203241.0255 2594.2273 0.0000 0.0000 52331.0244 -109148.0999 300.7471 -161479.1243 -108785.4102 299.7604 64.8685 92.4078 760509.5733 8.8984 8.9158 PRESSURE: 1779600 101.373 -129.511 62.5356 -129.512 178.543 90.8905 62.5357 90.8904 60.2986 GPRESSURE: 1779600 40.4501 -44.6743 52.4205 -52.4358 241.404 -29.1395 160.854 32.5825 123.672 PRESSAVG: 1779600 -42.3993 -11.6425 13.0517 -11.6425 45.7806 -23.846 13.0516 -23.846 -21.0298 GPRESSAVG: 1779600 -42.242 -12.2307 12.9571 -13.2374 45.7073 -22.9244 14.053 -24.1994 -20.9175 TIMING: 1779600 CPU: 5669.88, 0.00318799/step Wall: 5669.88, 0.00318799/step, 2.85183 hours remaining, 241.339844 MB of memory in use. ENERGY: 1779600 4004.9581 20503.1833 14546.6671 242.3783 -203539.5537 2690.5902 0.0000 0.0000 52245.7372 -109306.0395 300.2570 -161551.7767 -108941.0706 300.0307 113.4047 135.1752 760142.6796 -5.8828 -5.8174 PRESSURE: 1779800 -53.7067 49.9374 112.169 49.9378 -39.4124 -153.8 112.169 -153.799 136.034 GPRESSURE: 1779800 -3.89315 -28.6545 140.946 -71.8706 42.3357 -79.3985 16.1091 -7.58447 102.563 PRESSAVG: 1779800 -26.8464 -12.8032 29.8168 -12.8033 -5.98506 -12.4614 29.8168 -12.4613 17.8743 GPRESSAVG: 1779800 -26.4268 -15.4165 31.5691 -11.4943 -6.89935 -12.6132 30.1677 -12.2254 18.1469 TIMING: 1779800 CPU: 5670.52, 0.00319261/step Wall: 5670.52, 0.00319261/step, 2.85579 hours remaining, 241.339844 MB of memory in use. ENERGY: 1779800 4046.5738 20564.4344 14510.7367 236.3437 -203284.4476 2605.3101 0.0000 0.0000 52007.1540 -109313.8949 298.8858 -161321.0489 -108952.4764 299.8904 14.3049 47.0019 760544.3059 -4.9857 -5.0597 PRESSURE: 1780000 -39.4951 -30.0045 98.4607 -30.0047 -17.993 -283.081 98.4613 -283.081 33.1488 GPRESSURE: 1780000 22.8915 -147.648 -9.37074 -8.62164 -12.5801 -323.472 143.39 -297.007 60.051 PRESSAVG: 1780000 10.6703 -46.4637 12.1794 -46.4636 29.9187 -47.0317 12.1794 -47.0317 -8.84772 GPRESSAVG: 1780000 10.3703 -43.6484 12.4932 -46.8101 30.3217 -47.9179 11.8327 -47.7232 -8.79759 TIMING: 1780000 CPU: 5671.17, 0.00322055/step Wall: 5671.17, 0.00322055/step, 2.88061 hours remaining, 241.339844 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: 1780000 4139.2898 20483.9383 14532.3812 266.0309 -203630.5724 2752.7529 0.0000 0.0000 52063.8807 -109392.2986 299.2118 -161456.1794 -109025.2274 299.8676 -8.1131 23.4541 760628.4347 10.5804 10.6315 PRESSURE: 1780200 -2.82387 -190.574 295.751 -190.574 138.169 0.3198 295.751 0.319336 -69.9439 GPRESSURE: 1780200 90.9378 -209.294 263.825 -85.8847 48.6951 12.9523 264.636 -2.72345 2.12476 PRESSAVG: 1780200 31.7493 -51.4195 64.0106 -51.4195 5.69183 -4.56337 64.0107 -4.56335 -2.05661 GPRESSAVG: 1780200 32.6743 -51.7448 62.8613 -50.9484 5.46354 -3.34964 64.4544 -5.23387 -2.61928 TIMING: 1780200 CPU: 5671.81, 0.0032243/step Wall: 5671.81, 0.0032243/step, 2.88378 hours remaining, 241.339844 MB of memory in use. ENERGY: 1780200 4012.8068 20681.0691 14441.7880 234.4389 -203488.2764 2415.5358 0.0000 0.0000 52137.1060 -109565.5318 299.6327 -161702.6379 -109196.2665 299.5047 21.8006 47.2526 760605.5067 11.7948 11.8395 LDB: ============= START OF LOAD BALANCING ============== 5684.27 LDB: ============== END OF LOAD BALANCING =============== 5684.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5684.27 LDB: ============= START OF LOAD BALANCING ============== 5684.6 LDB: Largest compute 7070 load 0.035026 is 18.0% of average load 0.195120 LDB: Average compute 0.004422 is 2.3% of average load 0.195120 LDB: TIME 5684.6 LOAD: AVG 0.19512 MAX 0.218548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.773 MB LDB: TIME 5684.6 LOAD: AVG 0.19512 MAX 0.218548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.777 MB LDB: TIME 5684.6 LOAD: AVG 0.19512 MAX 0.214599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.777 MB LDB: ============== END OF LOAD BALANCING =============== 5684.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5684.61 PRESSURE: 1780400 211.824 -18.2131 89.6405 -18.213 407.166 5.45265 89.641 5.4523 2.0801 GPRESSURE: 1780400 164.319 46.7448 89.1998 -8.3727 538.307 0.256205 29.6663 -54.4766 0.819072 PRESSAVG: 1780400 -2.92379 -29.3602 31.4656 -29.3602 25.6187 8.55397 31.4656 8.55394 17.6034 GPRESSAVG: 1780400 -3.46804 -30.4553 33.2816 -29.721 26.7274 8.06088 29.4729 9.20797 16.9626 TIMING: 1780400 CPU: 5672.47, 0.00328719/step Wall: 5672.47, 0.00328719/step, 2.93984 hours remaining, 239.488281 MB of memory in use. ENERGY: 1780400 3960.3474 20546.2000 14379.1556 232.5034 -203238.5736 2635.9626 0.0000 0.0000 52001.6579 -109482.7467 298.8542 -161484.4046 -109131.2255 299.0366 207.0235 234.4817 760455.9890 13.4328 13.4073 PRESSURE: 1780600 -312.179 207.601 -62.4087 207.601 -455.833 60.5474 -62.4075 60.5479 344.28 GPRESSURE: 1780600 -152.916 239.669 -133.624 230.557 -520.914 10.8105 3.82517 63.2241 357.861 PRESSAVG: 1780600 -39.4255 -18.7857 1.53489 -18.7857 29.567 -17.6006 1.53484 -17.6006 -2.26732 GPRESSAVG: 1780600 -38.3946 -16.8973 -0.274678 -21.2825 27.2993 -18.5295 3.69753 -17.3521 -1.68413 TIMING: 1780600 CPU: 5673.12, 0.0032353/step Wall: 5673.12, 0.0032353/step, 2.89326 hours remaining, 239.691406 MB of memory in use. ENERGY: 1780600 3981.6678 20590.9822 14457.6713 236.6898 -203168.7523 2249.4468 0.0000 0.0000 51916.3214 -109735.9730 298.3638 -161652.2944 -109374.3228 299.1306 -141.2440 -105.3233 758717.0300 -4.0419 -4.2598 PRESSURE: 1780800 -115.035 -41.8019 -187.914 -41.8016 -198.785 11.9905 -187.914 11.9901 -238.075 GPRESSURE: 1780800 -124.802 -6.88085 -258.948 -39.7089 -127.261 23.5363 -123.041 52.1644 -203.28 PRESSAVG: 1780800 18.6055 23.7605 12.9225 23.7605 -44.2768 18.327 12.9224 18.3269 -8.02251 GPRESSAVG: 1780800 16.9827 21.2756 12.7613 26.8069 -43.4885 17.9633 11.5741 17.4603 -7.77191 TIMING: 1780800 CPU: 5673.76, 0.00322048/step Wall: 5673.76, 0.00322048/step, 2.87982 hours remaining, 239.691406 MB of memory in use. ENERGY: 1780800 4068.3383 20432.5209 14444.1902 240.3112 -203292.4486 2304.6080 0.0000 0.0000 52059.7468 -109742.7334 299.1881 -161802.4802 -109372.4456 298.8452 -183.9651 -151.7810 759342.6615 -11.2313 -11.4259 PRESSURE: 1781000 113.599 26.2999 180.16 26.3005 -90.6469 88.2011 180.16 88.2019 -12.9446 GPRESSURE: 1781000 137.048 -103.461 250.607 117.341 -37.1969 100.631 86.6829 116.927 -5.83658 PRESSAVG: 1781000 38.1819 -39.3639 1.14114 -39.3639 -63.0517 43.6827 1.14116 43.6827 15.404 GPRESSAVG: 1781000 37.6926 -39.1606 1.576 -40.4963 -62.8196 43.6231 1.26162 44.39 16.1294 TIMING: 1781000 CPU: 5674.4, 0.00318078/step Wall: 5674.4, 0.00318078/step, 2.84415 hours remaining, 239.691406 MB of memory in use. ENERGY: 1781000 3957.8581 20644.5492 14360.2696 265.6663 -203536.3042 2697.2333 0.0000 0.0000 51892.5852 -109718.1425 298.2274 -161610.7277 -109356.5585 298.7770 3.3359 31.3383 761832.3154 -3.1553 -2.9992 PRESSURE: 1781200 -12.8158 257.076 273.572 257.076 -417.455 38.8361 273.573 38.8361 61.9394 GPRESSURE: 1781200 32.2497 227.231 276.192 161.908 -361.563 -48.4763 201.539 -17.686 44.0345 PRESSAVG: 1781200 55.0407 -38.4559 16.7934 -38.4559 -51.1404 37.728 16.7934 37.728 25.3529 GPRESSAVG: 1781200 54.8477 -36.2078 16.529 -39.8473 -50.0543 37.5835 14.4831 38.6461 24.4096 TIMING: 1781200 CPU: 5675.04, 0.00319811/step Wall: 5675.04, 0.00319811/step, 2.85946 hours remaining, 239.691406 MB of memory in use. ENERGY: 1781200 3914.9439 20512.3455 14448.3600 247.7228 -203689.7144 2857.9138 0.0000 0.0000 51758.8638 -109949.5645 297.4589 -161708.4283 -109583.7756 298.1689 -122.7770 -95.0928 761745.4632 9.7511 9.7343 PRESSURE: 1781400 -108.731 -126.961 82.8263 -126.961 -302.456 99.3219 82.8267 99.3218 -450.914 GPRESSURE: 1781400 -63.3165 -52.8597 135.401 -114.223 -246.067 10.3307 22.0185 136.474 -458.717 PRESSAVG: 1781400 45.8896 -49.9187 2.71508 -49.9187 -34.4095 -22.8094 2.71508 -22.8094 -22.8821 GPRESSAVG: 1781400 47.5012 -51.004 3.16179 -47.4869 -35.6099 -23.1188 5.74663 -21.8478 -22.8581 TIMING: 1781400 CPU: 5675.68, 0.00320519/step Wall: 5675.68, 0.00320519/step, 2.86562 hours remaining, 239.691406 MB of memory in use. ENERGY: 1781400 4039.2874 20416.0641 14481.4494 253.8022 -203645.0188 2654.5175 0.0000 0.0000 52025.0933 -109774.8048 298.9889 -161799.8981 -109423.9548 298.1427 -287.3669 -256.0336 760667.5604 -3.8007 -3.6556 PRESSURE: 1781600 -98.466 47.6304 -152.419 47.6306 227.63 99.8877 -152.419 99.888 138.286 GPRESSURE: 1781600 4.97713 51.8319 -261.782 -15.9837 207.213 72.3239 -63.4645 253.3 126.906 PRESSAVG: 1781600 0.262872 -21.2253 -57.8932 -21.2252 -29.8502 -8.68335 -57.8933 -8.68336 -11.4748 GPRESSAVG: 1781600 -0.345227 -22.2254 -57.1623 -22.2628 -28.933 -9.21372 -59.1374 -7.5737 -11.5102 TIMING: 1781600 CPU: 5676.31, 0.00317557/step Wall: 5676.31, 0.00317557/step, 2.83896 hours remaining, 239.691406 MB of memory in use. ENERGY: 1781600 3886.2101 20469.9391 14536.2358 272.2847 -203301.5382 2345.2126 0.0000 0.0000 52020.2975 -109771.3584 298.9614 -161791.6559 -109402.7968 298.5238 89.1500 113.0320 760001.4158 -13.6874 -13.5961 PRESSURE: 1781800 156.66 -181.678 -100.513 -181.679 -259.954 -104.699 -100.513 -104.7 -143.792 GPRESSURE: 1781800 180.042 -189.032 -80.7145 -293.253 -168.755 -72.3391 -97.7358 -207.016 -189.977 PRESSAVG: 1781800 13.7671 -94.7728 41.4247 -94.7729 1.23659 -38.8844 41.4246 -38.8844 -25.7033 GPRESSAVG: 1781800 13.7489 -92.8543 41.6916 -93.9945 0.35179 -38.1184 41.5609 -41.3213 -24.941 TIMING: 1781800 CPU: 5676.95, 0.00317397/step Wall: 5676.95, 0.00317397/step, 2.83735 hours remaining, 239.691406 MB of memory in use. ENERGY: 1781800 4011.7551 20544.3543 14439.8771 239.5053 -203327.7116 2398.6924 0.0000 0.0000 51835.4542 -109858.0732 297.8991 -161693.5274 -109511.1247 298.3834 -82.3620 -59.5636 759584.2484 -3.5665 -3.6134 PRESSURE: 1782000 -91.3251 -118.246 183.107 -118.246 -38.2613 70.9139 183.107 70.9147 521.276 GPRESSURE: 1782000 -74.5858 -93.4434 186.774 -57.2188 97.5173 115.917 96.2003 110.706 451.737 PRESSAVG: 1782000 36.3414 -57.0038 -45.0391 -57.0037 -63.2508 -19.9618 -45.0392 -19.9618 -12.8072 GPRESSAVG: 1782000 37.0958 -57.4181 -46.4575 -56.6106 -63.8379 -20.6776 -44.7291 -20.1802 -13.2634 TIMING: 1782000 CPU: 5677.58, 0.00317484/step Wall: 5677.58, 0.00317485/step, 2.83796 hours remaining, 239.691406 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: 1782000 3928.0088 20541.7703 14404.2465 245.8059 -203580.4149 2525.5662 0.0000 0.0000 52283.6508 -109651.3663 300.4749 -161935.0172 -109282.2669 298.7584 130.5633 158.2227 758707.1360 -13.2389 -13.3351 PRESSURE: 1782200 154.922 62.293 -186.964 62.2935 227.396 106.291 -186.964 106.291 -50.968 GPRESSURE: 1782200 74.1943 -17.8579 -192.276 -102.86 334.345 88.6723 -59.321 155.935 11.5405 PRESSAVG: 1782200 -16.6347 -34.7772 21.0323 -34.7772 6.16539 -30.9505 21.0323 -30.9505 6.03633 GPRESSAVG: 1782200 -16.6698 -35.7476 22.172 -35.8077 7.09162 -30.155 19.7765 -29.5347 5.40068 TIMING: 1782200 CPU: 5678.22, 0.00316165/step Wall: 5678.22, 0.00316164/step, 2.82598 hours remaining, 239.691406 MB of memory in use. ENERGY: 1782200 3980.1380 20510.5863 14477.7907 242.9787 -203756.2088 2771.5675 0.0000 0.0000 52311.8475 -109461.3001 300.6369 -161773.1476 -109097.9098 299.5582 110.4499 140.0265 758593.6523 -1.4777 -1.3925 PRESSURE: 1782400 -47.7211 -130.096 121.347 -130.096 -42.1215 -308.437 121.347 -308.438 -269.637 GPRESSURE: 1782400 -54.0926 -205.109 226.781 -275.944 -24.8297 -280.954 -65.887 -263.574 -202.889 PRESSAVG: 1782400 31.6682 -116.146 -13.4046 -116.146 -16.6755 -8.19863 -13.4046 -8.19874 2.25155 GPRESSAVG: 1782400 30.8131 -114.189 -14.6092 -118.272 -15.2183 -7.08175 -14.2142 -9.06993 1.38602 TIMING: 1782400 CPU: 5678.85, 0.00316366/step Wall: 5678.85, 0.00316366/step, 2.82761 hours remaining, 239.691406 MB of memory in use. ENERGY: 1782400 3980.2935 20573.3001 14488.0886 228.0291 -203380.9977 2497.8361 0.0000 0.0000 52039.4235 -109574.0267 299.0713 -161613.4502 -109218.5247 299.6704 -119.8266 -93.9371 758806.2257 5.7481 5.6603 PRESSURE: 1782600 -266.61 -69.2984 49.2496 -69.2972 -42.9216 349.959 49.2488 349.96 -273.947 GPRESSURE: 1782600 -197.09 -49.6545 80.3598 -19.5261 54.7317 233.886 102.969 278.413 -347.042 PRESSAVG: 1782600 -26.5035 -56.0757 25.2881 -56.0757 54.5812 -1.5523 25.2881 -1.55239 3.00816 GPRESSAVG: 1782600 -26.2476 -57.2214 25.2201 -54.7629 53.4643 -2.26026 28.0205 -2.45724 4.04433 TIMING: 1782600 CPU: 5679.48, 0.00318459/step Wall: 5679.48, 0.00318459/step, 2.84614 hours remaining, 239.691406 MB of memory in use. ENERGY: 1782600 3994.3837 20595.1321 14453.8650 261.9396 -203422.8741 2318.1528 0.0000 0.0000 52108.1751 -109691.2258 299.4664 -161799.4009 -109339.2955 299.5615 -194.4928 -163.1333 758653.1774 10.3620 10.4203 PRESSURE: 1782800 37.5681 -60.6619 -78.917 -60.6617 86.8902 19.8709 -78.9167 19.8712 271.876 GPRESSURE: 1782800 99.2431 -27.4125 -178.051 -113.59 126.039 21.2033 -97.8525 79.1108 251.038 PRESSAVG: 1782800 -15.206 -39.4769 29.4136 -39.4768 22.385 -0.290552 29.4136 -0.290557 12.0895 GPRESSAVG: 1782800 -15.1045 -39.3823 30.6388 -38.8663 22.4242 -0.237719 27.2888 -2.82609 11.9399 TIMING: 1782800 CPU: 5680.12, 0.00319671/step Wall: 5680.12, 0.00319671/step, 2.85679 hours remaining, 239.691406 MB of memory in use. ENERGY: 1782800 4057.5991 20516.4558 14407.1749 249.8798 -203761.4961 2811.8634 0.0000 0.0000 51903.3621 -109815.1609 298.2893 -161718.5230 -109471.2164 299.1180 132.1114 158.7735 759601.9071 6.4229 6.4199 PRESSURE: 1783000 -137.711 -126.626 -48.0068 -126.626 -3.40751 -78.9723 -48.0072 -78.9723 -160.556 GPRESSURE: 1783000 -127.283 -172.105 -108.694 17.2525 52.3198 -185.15 2.98142 -108.701 -141.443 PRESSAVG: 1783000 -46.0092 -88.0186 43.6547 -88.0185 91.323 -0.985266 43.6547 -0.985293 18.367 GPRESSAVG: 1783000 -47.1454 -87.7683 43.5939 -86.8438 91.1932 -1.57988 43.8884 3.22764 19.0488 TIMING: 1783000 CPU: 5680.77, 0.00320557/step Wall: 5680.77, 0.00320557/step, 2.86453 hours remaining, 239.691406 MB of memory in use. ENERGY: 1783000 3967.3948 20475.9881 14565.1440 256.8211 -203573.6022 2533.7408 0.0000 0.0000 51896.2073 -109878.3060 298.2482 -161774.5133 -109516.3837 298.6767 -100.5581 -72.1353 760418.9866 21.2270 21.0322 PRESSURE: 1783200 161.028 -194.615 33.1311 -194.614 -114.638 99.8729 33.1318 99.8734 -196.012 GPRESSURE: 1783200 149.452 -112.826 31.8254 -169.568 -22.458 78.6713 10.2111 81.4267 -192.717 PRESSAVG: 1783200 21.7439 -55.9599 16.2896 -55.9599 -32.7538 8.59688 16.2897 8.59689 11.3463 GPRESSAVG: 1783200 22.331 -56.2164 16.0047 -57.5094 -33.585 7.26317 17.4283 6.76165 10.9067 TIMING: 1783200 CPU: 5681.41, 0.0032014/step Wall: 5681.41, 0.0032014/step, 2.86063 hours remaining, 239.691406 MB of memory in use. ENERGY: 1783200 4006.2991 20419.2835 14441.9008 235.6193 -203244.3928 2453.5296 0.0000 0.0000 52100.3135 -109587.4471 299.4212 -161687.7606 -109227.8272 299.2925 -49.8739 -21.9078 759609.7382 0.1122 -0.1158 PRESSURE: 1783400 335.057 -91.3013 138.92 -91.3007 -74.2331 -75.4587 138.92 -75.4589 577.763 GPRESSURE: 1783400 458.064 -162.933 73.6232 17.6479 -60.8755 -76.4136 11.5869 -117.796 535.26 PRESSAVG: 1783400 47.6978 -33.8131 -19.4771 -33.8131 1.91129 -31.452 -19.477 -31.452 22.0528 GPRESSAVG: 1783400 48.962 -33.7325 -17.9247 -34.1105 1.80603 -31.3479 -22.0572 -30.9135 20.8585 TIMING: 1783400 CPU: 5682.04, 0.00319544/step Wall: 5682.04, 0.00319544/step, 2.85512 hours remaining, 239.691406 MB of memory in use. ENERGY: 1783400 3931.3935 20588.3740 14467.8801 252.7595 -203237.1832 2263.4383 0.0000 0.0000 52041.7387 -109691.5990 299.0846 -161733.3378 -109331.9337 299.2787 279.5290 310.8163 759198.9281 23.8873 23.8755 PRESSURE: 1783600 -140.799 87.2207 -87.3876 87.222 16.9118 53.6034 -87.3887 53.6028 -416.916 GPRESSURE: 1783600 -191.228 89.2469 -49.0492 110.342 90.9208 -99.3853 -73.3093 -2.89475 -359.778 PRESSAVG: 1783600 32.2605 -20.1849 1.94738 -20.1848 -33.7838 -10.8051 1.94735 -10.8051 -7.66717 GPRESSAVG: 1783600 29.6259 -18.6468 0.749357 -18.9989 -34.0591 -10.6723 3.51887 -10.1537 -5.05138 TIMING: 1783600 CPU: 5682.68, 0.00319509/step Wall: 5682.68, 0.00319509/step, 2.85464 hours remaining, 239.691406 MB of memory in use. ENERGY: 1783600 3949.6870 20384.6675 14420.4601 223.0592 -203287.6945 2425.4447 0.0000 0.0000 52127.1335 -109757.2424 299.5754 -161884.3760 -109395.0296 298.8097 -180.2678 -153.3617 760003.3874 -3.0635 -3.1615 PRESSURE: 1783800 -87.6352 -180.968 -150.694 -180.968 -87.2944 86.9818 -150.694 86.9813 -227.721 GPRESSURE: 1783800 -2.22581 -145.41 -190.752 -121.368 -51.7778 45.7213 -104.361 99.8869 -272.55 PRESSAVG: 1783800 29.2975 -53.1607 27.644 -53.1607 -2.37897 16.4361 27.644 16.4361 10.549 GPRESSAVG: 1783800 31.7583 -51.7195 26.8173 -55.0644 -2.35138 18.4473 29.3586 14.1837 8.06907 TIMING: 1783800 CPU: 5683.33, 0.00322826/step Wall: 5683.33, 0.00322826/step, 2.88409 hours remaining, 239.691406 MB of memory in use. ENERGY: 1783800 3922.6262 20484.1405 14439.0230 243.6591 -203420.5063 2659.3514 0.0000 0.0000 51871.3401 -109800.3660 298.1053 -161671.7061 -109440.0428 298.7765 -134.2167 -108.8512 760029.8862 12.4892 12.4920 PRESSURE: 1784000 170.235 47.3238 71.148 47.3231 -5.2442 -7.11132 71.1488 -7.11143 276.229 GPRESSURE: 1784000 168.225 49.4638 164.081 212.289 -17.9898 36.8409 97.4499 93.2134 380.215 PRESSAVG: 1784000 70.2092 -41.3946 -11.7621 -41.3946 -56.5324 22.9384 -11.7621 22.9385 -10.7004 GPRESSAVG: 1784000 69.8572 -44.1492 -9.9832 -39.1878 -56.1939 23.7644 -13.7916 25.5408 -10.4063 TIMING: 1784000 CPU: 5683.97, 0.00321527/step Wall: 5683.97, 0.00321527/step, 2.87231 hours remaining, 239.691406 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: 1784000 3970.7414 20364.2147 14520.1055 244.3107 -203707.1895 2843.4902 0.0000 0.0000 51929.0724 -109835.2547 298.4371 -161764.3271 -109477.1625 298.6406 147.0735 176.8164 760294.8591 0.9921 1.0857 PRESSURE: 1784200 -95.6367 186.326 2.02568 186.326 228.113 -2.33068 2.02551 -2.32997 135.879 GPRESSURE: 1784200 -43.8499 56.9194 -90.3767 -32.7629 281.267 54.3529 9.04423 120.597 130.472 PRESSAVG: 1784200 49.1486 -9.70099 -38.1935 -9.701 -45.9112 41.6763 -38.1935 41.6764 12.5507 GPRESSAVG: 1784200 49.7058 -9.25992 -40.6239 -10.6868 -47.1317 41.1389 -36.8839 38.5229 13.3393 TIMING: 1784200 CPU: 5684.61, 0.00318413/step Wall: 5684.61, 0.00318413/step, 2.84431 hours remaining, 239.691406 MB of memory in use. ENERGY: 1784200 3864.9559 20441.1855 14412.6539 260.0761 -203161.3336 2518.1969 0.0000 0.0000 51768.5710 -109895.6944 297.5147 -161664.2654 -109533.7320 298.2315 89.4516 122.6298 761743.8266 5.2627 5.3045 LDB: ============= START OF LOAD BALANCING ============== 5697.06 LDB: ============== END OF LOAD BALANCING =============== 5697.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5697.07 LDB: ============= START OF LOAD BALANCING ============== 5697.39 LDB: Largest compute 7034 load 0.038344 is 19.7% of average load 0.195081 LDB: Average compute 0.004423 is 2.3% of average load 0.195081 LDB: TIME 5697.39 LOAD: AVG 0.195081 MAX 0.21755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.77 MB LDB: TIME 5697.39 LOAD: AVG 0.195081 MAX 0.21755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.934 MB LDB: TIME 5697.39 LOAD: AVG 0.195081 MAX 0.21755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.934 MB LDB: ============== END OF LOAD BALANCING =============== 5697.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5697.4 PRESSURE: 1784400 -275.204 -36.019 -212.206 -36.018 -24.568 -225.562 -212.205 -225.563 116.959 GPRESSURE: 1784400 -230.978 -27.0027 -201.099 -54.2312 68.733 -212.437 -285.298 -181.743 91.2175 PRESSAVG: 1784400 20.6656 -58.2558 -29.1903 -58.2557 19.8559 -6.41506 -29.1903 -6.41512 29.8322 GPRESSAVG: 1784400 20.3701 -58.5176 -28.7431 -59.752 21.2586 -6.96261 -30.7479 -2.78486 28.8585 TIMING: 1784400 CPU: 5685.26, 0.00326146/step Wall: 5685.26, 0.00326146/step, 2.91321 hours remaining, 240.636719 MB of memory in use. ENERGY: 1784400 4022.9310 20345.4296 14371.4564 243.3520 -203507.5826 2630.0299 0.0000 0.0000 51925.7751 -109968.6086 298.4181 -161894.3838 -109615.9355 298.5205 -60.9377 -23.6758 759875.0933 23.4512 23.4957 PRESSURE: 1784600 295.506 278.89 33.0838 278.89 -146.54 166.088 33.0837 166.089 193.051 GPRESSURE: 1784600 333.302 363.522 123.903 265.636 -168.48 113.524 74.7808 137.113 254.063 PRESSAVG: 1784600 73.7587 61.2359 -16.1941 61.2359 -50.1009 62.9437 -16.1942 62.9437 4.5011 GPRESSAVG: 1784600 72.1659 62.083 -18.2885 60.9623 -50.3927 63.2874 -14.9788 58.2485 6.56744 TIMING: 1784600 CPU: 5685.91, 0.0032184/step Wall: 5685.91, 0.0032184/step, 2.87457 hours remaining, 240.636719 MB of memory in use. ENERGY: 1784600 4004.3632 20370.6999 14369.1264 263.6966 -203614.6082 2595.6936 0.0000 0.0000 51950.7256 -110060.3030 298.5615 -162011.0286 -109692.3864 298.1447 114.0059 139.6286 760613.1664 9.3863 9.4469 PRESSURE: 1784800 -81.7629 231.737 306.437 231.737 108.937 -74.5794 306.438 -74.5799 -54.9329 GPRESSURE: 1784800 -9.40751 118.038 286.246 231.197 82.1353 -18.299 211.13 1.02078 -21.587 PRESSAVG: 1784800 27.7914 42.7194 15.8953 42.7195 -35.5605 -11.9069 15.8953 -11.907 17.9925 GPRESSAVG: 1784800 30.4466 41.3111 18.7189 43.5216 -36.1554 -14.4859 14.9119 -8.64688 16.3774 TIMING: 1784800 CPU: 5686.55, 0.0032022/step Wall: 5686.55, 0.0032022/step, 2.85992 hours remaining, 240.636719 MB of memory in use. ENERGY: 1784800 3900.1245 20289.1065 14404.9226 252.3440 -203783.9290 2723.0837 0.0000 0.0000 52065.1894 -110149.1582 299.2194 -162214.3477 -109785.1495 297.9320 -9.2530 17.0469 758727.7832 3.4078 3.5562 PRESSURE: 1785000 62.9853 -396.245 -3.303 -396.245 -28.8353 -64.8817 -3.30299 -64.8803 507.78 GPRESSURE: 1785000 87.8661 -381.943 4.55741 -332.915 77.9503 49.9915 -123.737 -113.657 464.776 PRESSAVG: 1785000 -1.18046 -8.1255 -7.2366 -8.12554 5.16327 15.3218 -7.23661 15.3219 -20.7816 GPRESSAVG: 1785000 -3.36212 -6.8307 -6.79383 -10.102 7.19697 19.5502 -8.79462 14.9947 -20.225 TIMING: 1785000 CPU: 5687.19, 0.00320814/step Wall: 5687.19, 0.00320814/step, 2.86505 hours remaining, 240.636719 MB of memory in use. ENERGY: 1785000 3991.5442 20507.7788 14349.4997 257.8069 -203060.1567 2317.9527 0.0000 0.0000 51891.0698 -109744.5045 298.2187 -161635.5744 -109386.5851 298.2051 180.6435 210.1974 760228.2146 -5.5996 -5.4634 PRESSURE: 1785200 -144.405 116.43 72.0386 116.43 16.7347 25.4828 72.0383 25.484 9.51819 GPRESSURE: 1785200 -27.7624 177.596 11.0266 158.392 5.17899 55.8049 80.7746 -111.528 -25.7576 PRESSAVG: 1785200 35.0664 -15.2884 -23.9361 -15.2883 -38.1156 11.7289 -23.9363 11.7289 -23.9525 GPRESSAVG: 1785200 35.3838 -14.6067 -24.3173 -13.3405 -38.7166 9.62121 -21.5749 11.9093 -23.6735 TIMING: 1785200 CPU: 5687.83, 0.00319159/step Wall: 5687.83, 0.00319159/step, 2.85009 hours remaining, 240.636719 MB of memory in use. ENERGY: 1785200 3952.2776 20382.9044 14410.1981 251.5765 -203470.4307 2487.9231 0.0000 0.0000 52093.7733 -109891.7777 299.3836 -161985.5510 -109527.0267 298.8172 -39.3839 -16.1137 758963.2417 -9.0006 -9.0021 PRESSURE: 1785400 -393.332 204.683 172.69 204.683 -342.357 -125.469 172.69 -125.469 -719.198 GPRESSURE: 1785400 -384.435 8.70169 134.482 90.6924 -296.446 -120.116 232.893 -134.993 -657.811 PRESSAVG: 1785400 3.61191 -0.171915 38.2731 -0.171961 9.98018 -12.2043 38.2731 -12.2041 2.1159 GPRESSAVG: 1785400 4.48832 -0.805214 35.5061 -2.08492 8.94683 -11.1756 37.4999 -13.5123 2.44307 TIMING: 1785400 CPU: 5688.47, 0.00320097/step Wall: 5688.47, 0.00320097/step, 2.85829 hours remaining, 240.636719 MB of memory in use. ENERGY: 1785400 3934.6398 20214.4270 14492.5350 236.1873 -203020.1517 2036.2501 0.0000 0.0000 52158.4189 -109947.6936 299.7552 -162106.1125 -109569.9845 298.1085 -484.9624 -446.2305 760714.6262 5.2360 5.2927 PRESSURE: 1785600 45.3927 -94.3063 -56.8779 -94.3069 -279.608 205.481 -56.8773 205.481 282.424 GPRESSURE: 1785600 -35.2856 -110.701 -23.4017 -3.8938 -212.755 149.035 20.9097 124.773 374.941 PRESSAVG: 1785600 45.9757 39.5653 16.778 39.5653 -36.0919 -12.8266 16.778 -12.8266 21.6275 GPRESSAVG: 1785600 44.8423 40.0673 18.4191 42.5322 -35.3975 -14.0556 17.8339 -12.9662 22.3422 TIMING: 1785600 CPU: 5689.1, 0.00319093/step Wall: 5689.1, 0.00319093/step, 2.84915 hours remaining, 240.636719 MB of memory in use. ENERGY: 1785600 3936.2670 20462.8207 14434.7624 223.8232 -203394.0656 2519.8863 0.0000 0.0000 51837.3232 -109979.1828 297.9098 -161816.5060 -109624.4826 298.3012 16.0694 42.3001 761194.9290 10.5038 10.5957 PRESSURE: 1785800 221.734 94.0223 -162.564 94.0216 -127.599 107.313 -162.564 107.313 -385.605 GPRESSURE: 1785800 204.258 61.4206 -155.597 175.02 -116.574 121.007 -208.492 60.0705 -301.338 PRESSAVG: 1785800 14.4397 -46.087 7.52019 -46.0871 -21.7392 59.6157 7.52026 59.6157 13.2651 GPRESSAVG: 1785800 14.958 -46.7276 7.79304 -44.874 -21.1743 59.3002 6.91096 59.3052 12.1865 TIMING: 1785800 CPU: 5689.75, 0.00320943/step Wall: 5689.75, 0.00320943/step, 2.86548 hours remaining, 240.636719 MB of memory in use. ENERGY: 1785800 4032.6894 20373.2550 14445.8102 247.5535 -203668.4253 2707.9974 0.0000 0.0000 51945.5579 -109915.5618 298.5318 -161861.1197 -109559.1478 298.1621 -97.1568 -71.2178 761615.3269 1.9885 1.9901 PRESSURE: 1786000 74.7132 -104.764 118.971 -104.763 193.937 5.62375 118.97 5.62481 431.965 GPRESSURE: 1786000 55.5703 -11.4888 101.927 -87.5343 234.783 69.6145 150.915 2.69318 469.986 PRESSAVG: 1786000 62.6447 -53.9995 27.9113 -53.9996 -45.0567 18.5986 27.9114 18.5986 -23.282 GPRESSAVG: 1786000 63.0177 -53.5202 29.9586 -54.1797 -44.3466 20.0658 27.7894 18.0305 -24.219 TIMING: 1786000 CPU: 5690.38, 0.00319109/step Wall: 5690.38, 0.00319109/step, 2.84894 hours remaining, 240.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1786000 3959.8255 20452.0623 14437.1210 233.4110 -203632.2380 2751.9896 0.0000 0.0000 52023.5733 -109774.2552 298.9802 -161797.8285 -109415.3713 298.2645 233.5385 253.4464 759620.5007 -1.8980 -1.8493 PRESSURE: 1786200 -17.1214 -30.5267 58.882 -30.5262 71.5067 104.421 58.8822 104.421 -15.5206 GPRESSURE: 1786200 29.2751 -74.0581 -21.1072 17.6907 215.494 76.0815 128.48 72.0818 -115.511 PRESSAVG: 1786200 -10.8294 -48.0929 51.0752 -48.0929 31.7482 -15.6511 51.0752 -15.6511 1.42701 GPRESSAVG: 1786200 -11.202 -47.4595 50.1444 -50.0927 31.1357 -17.7467 50.6243 -14.8014 2.75657 TIMING: 1786200 CPU: 5691.02, 0.00319505/step Wall: 5691.02, 0.00319505/step, 2.85229 hours remaining, 240.636719 MB of memory in use. ENERGY: 1786200 3934.5386 20422.9658 14397.7758 240.6574 -203909.9287 2805.4995 0.0000 0.0000 52057.2259 -110051.2658 299.1736 -162108.4917 -109675.0362 298.2338 12.9549 43.0860 759865.7077 7.4486 7.5634 PRESSURE: 1786400 -364.941 -159.473 -167.084 -159.472 203.738 197.847 -167.084 197.847 -307.65 GPRESSURE: 1786400 -380.675 -134.928 -316.519 -143.16 221.56 242.89 29.1284 100.41 -230.208 PRESSAVG: 1786400 -11.9372 -53.1955 -8.82004 -53.1956 -29.2644 -26.9691 -8.82007 -26.9691 -5.03228 GPRESSAVG: 1786400 -12.6087 -52.9345 -8.94869 -52.2858 -27.6759 -26.8549 -8.00954 -26.8106 -5.84304 TIMING: 1786400 CPU: 5691.67, 0.0032257/step Wall: 5691.67, 0.0032257/step, 2.87947 hours remaining, 240.636719 MB of memory in use. ENERGY: 1786400 3901.8424 20461.3475 14504.5941 255.9844 -202976.7774 2227.8805 0.0000 0.0000 51636.1327 -109988.9959 296.7536 -161625.1286 -109621.8150 297.4483 -156.2845 -129.7744 761530.0244 -15.4113 -15.3759 PRESSURE: 1786600 -116.381 -103.261 3.8329 -103.261 -53.1392 -23.5927 3.83351 -23.5935 -9.8539 GPRESSURE: 1786600 -102.74 -29.4356 44.2274 18.8259 -45.9277 -44.4324 112.053 -168.418 53.0972 PRESSAVG: 1786600 -16.6339 -63.9501 18.594 -63.9501 49.668 -38.4754 18.5941 -38.4754 5.65779 GPRESSAVG: 1786600 -15.243 -63.4495 17.9475 -64.9466 48.3466 -36.2606 19.0431 -39.7883 5.44793 TIMING: 1786600 CPU: 5692.31, 0.00321874/step Wall: 5692.31, 0.00321874/step, 2.87308 hours remaining, 240.636719 MB of memory in use. ENERGY: 1786600 3992.0547 20456.3290 14500.7843 249.3009 -203672.7319 2722.9658 0.0000 0.0000 51785.6495 -109965.6476 297.6128 -161751.2972 -109605.9172 298.2943 -59.7914 -31.8569 759665.0314 12.8973 12.8505 PRESSURE: 1786800 232.237 147.535 168.879 147.535 -49.526 20.8275 168.879 20.8253 88.0574 GPRESSURE: 1786800 263.081 222.565 176.746 96.741 60.5875 57.1218 217.359 -13.3681 45.3194 PRESSAVG: 1786800 33.9716 -50.1512 47.1929 -50.1512 3.02338 -4.9521 47.1929 -4.95203 18.3945 GPRESSAVG: 1786800 33.1337 -52.7123 46.3411 -48.5728 3.8967 -6.64711 46.0241 -2.81977 18.9203 TIMING: 1786800 CPU: 5692.95, 0.00318686/step Wall: 5692.95, 0.00318686/step, 2.84445 hours remaining, 240.636719 MB of memory in use. ENERGY: 1786800 3973.8264 20425.0428 14429.2228 254.9032 -203225.4105 2505.9765 0.0000 0.0000 51876.3865 -109760.0522 298.1343 -161636.4388 -109399.3740 298.4137 90.2563 122.9960 761703.8322 18.4631 18.6502 PRESSURE: 1787000 -266.338 36.9715 -146.533 36.9711 -128.926 16.3128 -146.533 16.3113 65.8901 GPRESSURE: 1787000 -184.415 162.806 -43.9662 -58.0782 -120.485 -80.3099 -31.4757 -11.5139 89.5603 PRESSAVG: 1787000 47.7504 -18.5938 30.1491 -18.5939 -37.0282 33.4224 30.1491 33.4225 -5.45019 GPRESSAVG: 1787000 47.4688 -15.8204 31.3951 -20.4196 -37.3436 32.7563 32.4757 32.2477 -5.38679 TIMING: 1787000 CPU: 5693.59, 0.0032062/step Wall: 5693.59, 0.0032062/step, 2.86154 hours remaining, 240.636719 MB of memory in use. ENERGY: 1787000 4035.4390 20440.7424 14513.3034 255.1942 -203245.5372 2507.7707 0.0000 0.0000 51957.1239 -109535.9636 298.5983 -161493.0875 -109172.8038 298.6838 -109.7913 -71.7799 762494.7454 1.7573 1.5795 PRESSURE: 1787200 104.097 -199.116 -1.17569 -199.116 164.79 220.746 -1.17544 220.746 42.3334 GPRESSURE: 1787200 197.821 -310.559 61.8288 -116.775 164.434 189.419 9.97606 156.746 53.3744 PRESSAVG: 1787200 95.7948 -39.184 40.3115 -39.1841 -40.3368 3.8916 40.3115 3.89161 -2.88105 GPRESSAVG: 1787200 96.8322 -41.6548 39.4953 -39.2456 -40.1209 4.88336 39.8594 3.91632 -3.71005 TIMING: 1787200 CPU: 5694.23, 0.00319626/step Wall: 5694.23, 0.00319626/step, 2.85249 hours remaining, 240.636719 MB of memory in use. ENERGY: 1787200 3946.2984 20432.8051 14481.1219 266.6176 -203347.4873 2686.2557 0.0000 0.0000 51911.8369 -109622.5517 298.3380 -161534.3886 -109266.6449 299.0829 103.7401 138.5433 760960.4478 17.5256 17.6671 PRESSURE: 1787400 186.302 122.616 -161.959 122.616 -165.012 154.718 -161.959 154.719 -142.937 GPRESSURE: 1787400 244.126 54.7772 -139.647 72.5665 -150.601 270.391 -62.402 48.2894 -138.487 PRESSAVG: 1787400 -2.72692 -1.43093 -12.0837 -1.43093 44.826 -13.767 -12.0837 -13.767 16.358 GPRESSAVG: 1787400 -2.01806 -1.24456 -9.45848 0.96879 45.0456 -13.532 -12.7917 -14.4163 15.7239 TIMING: 1787400 CPU: 5694.88, 0.00323684/step Wall: 5694.88, 0.00323684/step, 2.88852 hours remaining, 240.636719 MB of memory in use. ENERGY: 1787400 3978.0041 20320.9474 14479.5829 235.4498 -203308.8063 2436.4715 0.0000 0.0000 52208.1668 -109650.1839 300.0411 -161858.3507 -109275.8226 299.1854 -40.5488 -14.9874 760489.0894 19.4857 19.5838 PRESSURE: 1787600 128.149 -291.335 199.302 -291.335 156.205 -108.396 199.302 -108.397 238.801 GPRESSURE: 1787600 118.745 -308.122 202.149 -245.219 220.501 -72.5508 62.1266 -87.9398 272.261 PRESSAVG: 1787600 -10.1429 -34.6517 16.6498 -34.6517 -19.5546 6.4352 16.6498 6.43516 2.62059 GPRESSAVG: 1787600 -10.1048 -33.8969 14.8735 -36.91 -19.8009 6.15092 16.2781 6.42735 2.46339 TIMING: 1787600 CPU: 5695.52, 0.00321985/step Wall: 5695.52, 0.00321985/step, 2.87318 hours remaining, 240.636719 MB of memory in use. ENERGY: 1787600 3947.1225 20473.7175 14483.7948 228.8015 -203445.1893 2619.5454 0.0000 0.0000 52003.0641 -109689.1434 298.8623 -161692.2075 -109324.3543 298.6960 174.3850 203.8357 759602.7213 -9.0257 -9.1475 PRESSURE: 1787800 -82.5813 -94.1205 167.352 -94.1199 -39.6389 -12.834 167.351 -12.8344 -612.189 GPRESSURE: 1787800 32.8242 -148.695 189.62 38.3505 -181.631 -47.0275 199.921 -21.8972 -499.13 PRESSAVG: 1787800 44.8894 -21.9194 -44.898 -21.9195 10.4714 -12.3892 -44.898 -12.3893 -1.01061 GPRESSAVG: 1787800 43.7225 -22.7201 -44.8377 -19.1497 10.0503 -12.5251 -44.5475 -10.9005 0.0444825 TIMING: 1787800 CPU: 5696.16, 0.00320541/step Wall: 5696.16, 0.00320541/step, 2.86012 hours remaining, 240.636719 MB of memory in use. ENERGY: 1787800 3988.4926 20430.7216 14496.3676 243.2591 -203160.6997 2288.0550 0.0000 0.0000 51931.2489 -109782.5549 298.4496 -161713.8038 -109422.5590 298.8178 -244.8032 -215.9791 761435.6588 18.1168 17.9391 PRESSURE: 1788000 64.1936 17.625 133.626 17.6251 -5.2266 144.6 133.626 144.6 -66.9836 GPRESSURE: 1788000 108.606 28.708 84.9905 0.558986 69.409 81.3356 154.161 129.753 -86.6795 PRESSAVG: 1788000 52.26 9.27714 -2.06555 9.27706 -53.1615 35.9595 -2.06558 35.9595 -12.5809 GPRESSAVG: 1788000 51.8665 9.43416 -2.76849 9.63256 -52.6426 36.0297 -1.65193 35.77 -13.077 TIMING: 1788000 CPU: 5696.8, 0.00319716/step Wall: 5696.8, 0.00319716/step, 2.85258 hours remaining, 240.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1788000 4058.7694 20448.4170 14440.0954 249.3525 -203329.7600 2463.0326 0.0000 0.0000 51966.6092 -109703.4840 298.6528 -161670.0932 -109346.0449 299.1770 -2.6722 30.4450 760013.2722 -4.4942 -4.6177 PRESSURE: 1788200 116.952 -95.5469 -34.5005 -95.5462 -191.707 83.7084 -34.5012 83.7085 233.301 GPRESSURE: 1788200 77.1476 -169.848 -76.6878 -115.481 -165.575 39.9845 12.0844 0.769393 342.54 PRESSAVG: 1788200 34.3178 -63.497 -6.5557 -63.4971 -80.3806 14.6234 -6.55566 14.6234 17.5783 GPRESSAVG: 1788200 34.6367 -64.691 -5.88808 -64.6179 -81.0221 14.3998 -7.64327 15.16 17.7438 TIMING: 1788200 CPU: 5697.44, 0.00319192/step Wall: 5697.44, 0.00319192/step, 2.84772 hours remaining, 240.636719 MB of memory in use. ENERGY: 1788200 3947.8746 20390.4480 14369.3006 253.8850 -203031.3145 2485.1834 0.0000 0.0000 52182.1982 -109402.4246 299.8918 -161584.6228 -109041.2856 299.7493 52.8485 84.7043 761380.6599 -9.4948 -9.5472 LDB: ============= START OF LOAD BALANCING ============== 5709.9 LDB: ============== END OF LOAD BALANCING =============== 5709.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5709.9 LDB: ============= START OF LOAD BALANCING ============== 5710.22 LDB: Largest compute 7034 load 0.039677 is 20.3% of average load 0.194988 LDB: Average compute 0.004428 is 2.3% of average load 0.194988 LDB: TIME 5710.22 LOAD: AVG 0.194988 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.055 MB LDB: TIME 5710.22 LOAD: AVG 0.194988 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.262 MB LDB: TIME 5710.23 LOAD: AVG 0.194988 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.262 MB LDB: ============== END OF LOAD BALANCING =============== 5710.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5710.23 PRESSURE: 1788400 -60.5875 53.7676 393.231 53.7672 63.0522 15.755 393.232 15.7541 -71.2505 GPRESSURE: 1788400 -53.428 120.832 353.778 47.4247 118.258 22.9846 296.372 -26.3733 -61.4623 PRESSAVG: 1788400 -7.87035 -70.0572 28.0638 -70.0572 -3.67547 43.2553 28.0638 43.2554 19.595 GPRESSAVG: 1788400 -8.0769 -68.3215 25.8142 -71.3119 -3.91304 42.4289 30.0836 41.7046 19.7483 TIMING: 1788400 CPU: 5698.1, 0.00328303/step Wall: 5698.1, 0.00328303/step, 2.92883 hours remaining, 241.339844 MB of memory in use. ENERGY: 1788400 3993.6535 20489.3895 14402.2287 234.2484 -203237.7599 2527.5858 0.0000 0.0000 52118.7795 -109471.8745 299.5273 -161590.6540 -109112.9495 299.4264 -22.9286 1.1226 760060.3310 2.6831 2.5861 PRESSURE: 1788600 233.651 -106.597 -204.785 -106.597 140.607 -261.048 -204.784 -261.049 -39.7964 GPRESSURE: 1788600 281.17 15.4174 -223.933 -221.684 227.477 -155.068 -109.681 -195.861 -70.4687 PRESSAVG: 1788600 60.6475 -2.94733 -38.6792 -2.9474 -26.7296 49.7222 -38.6792 49.7222 13.664 GPRESSAVG: 1788600 61.5463 -3.05344 -36.3472 -2.4623 -25.9588 50.2067 -40.9052 50.0937 12.6273 TIMING: 1788600 CPU: 5698.73, 0.0031915/step Wall: 5698.73, 0.0031915/step, 2.84699 hours remaining, 241.410156 MB of memory in use. ENERGY: 1788600 3953.5635 20424.1843 14391.8911 247.7868 -203502.8614 2708.7488 0.0000 0.0000 52069.3379 -109707.3491 299.2432 -161776.6869 -109338.8952 299.5681 111.4872 146.0593 758905.9336 15.8606 16.0716 PRESSURE: 1788800 192.307 -14.0262 -79.3147 -14.0259 -276.028 73.6256 -79.3161 73.6252 -87.5208 GPRESSURE: 1788800 103.945 76.0956 -91.2709 68.2551 -118.129 44.2159 -137.214 34.7552 -68.961 PRESSAVG: 1788800 22.881 1.77804 -10.9187 1.77803 -23.0822 -55.7317 -10.9187 -55.7318 15.0195 GPRESSAVG: 1788800 22.9747 1.24487 -11.0962 2.29446 -24.5501 -55.0901 -11.2456 -56.5078 15.9717 TIMING: 1788800 CPU: 5699.37, 0.00317003/step Wall: 5699.37, 0.00317003/step, 2.82766 hours remaining, 241.410156 MB of memory in use. ENERGY: 1788800 4025.5088 20459.6908 14370.2838 252.6400 -203204.4947 2545.8560 0.0000 0.0000 51859.1819 -109691.3334 298.0354 -161550.5153 -109336.8012 299.2605 -57.0805 -27.7149 761636.4014 4.9394 4.7988 PRESSURE: 1789000 -149.557 -45.3292 -194.856 -45.3303 3.35566 -50.25 -194.855 -50.2499 180.696 GPRESSURE: 1789000 -60.9607 -19.0661 -180.911 -8.17767 -23.8548 7.40144 -127.901 -12.5015 193.723 PRESSAVG: 1789000 -5.7658 -47.4367 12.7652 -47.4367 45.8806 -20.8753 12.7652 -20.8754 -26.5032 GPRESSAVG: 1789000 -6.68962 -44.6556 14.0067 -48.3489 46.2242 -20.7748 12.8338 -19.9263 -26.061 TIMING: 1789000 CPU: 5700.01, 0.00318577/step Wall: 5700.01, 0.00318577/step, 2.84153 hours remaining, 241.410156 MB of memory in use. ENERGY: 1789000 3939.3129 20451.2599 14472.5360 272.2917 -203022.2090 2370.8012 0.0000 0.0000 51685.1976 -109830.8098 297.0355 -161516.0075 -109476.6126 298.2950 11.4985 36.3024 761327.0467 4.5372 4.4912 PRESSURE: 1789200 -47.3142 -96.9798 13.8974 -96.9799 201.857 -82.0733 13.8977 -82.072 -243.409 GPRESSURE: 1789200 -21.8138 -79.4769 -3.63032 -74.7182 190.497 -84.6618 -79.4665 -107.46 -176.323 PRESSAVG: 1789200 7.10741 -46.5903 12.0553 -46.5902 24.4582 -31.7712 12.0553 -31.7712 9.45864 GPRESSAVG: 1789200 8.09173 -48.5719 11.5085 -47.2941 24.392 -31.1014 13.0419 -29.8855 8.47852 TIMING: 1789200 CPU: 5700.65, 0.00320198/step Wall: 5700.65, 0.00320198/step, 2.85581 hours remaining, 241.410156 MB of memory in use. ENERGY: 1789200 3979.0961 20415.5111 14396.7711 270.7021 -203487.3311 2807.1318 0.0000 0.0000 51903.5314 -109714.5875 298.2903 -161618.1188 -109355.9628 298.4120 -29.6222 -2.5469 761459.3430 13.6748 13.6541 PRESSURE: 1789400 -31.7331 24.9578 -183.846 24.9568 -70.8325 176.986 -183.846 176.986 -114.278 GPRESSURE: 1789400 -60.6925 -79.7228 -68.4571 -0.163226 39.9554 279.263 -80.4947 30.0116 -108.72 PRESSAVG: 1789400 77.2715 -46.9205 -26.8688 -46.9206 -21.5273 -1.26469 -26.8688 -1.26466 6.02794 GPRESSAVG: 1789400 76.6676 -47.6142 -26.3806 -45.551 -21.5597 0.122714 -26.5623 -4.68216 6.83207 TIMING: 1789400 CPU: 5701.28, 0.00318613/step Wall: 5701.28, 0.00318613/step, 2.84149 hours remaining, 241.410156 MB of memory in use. ENERGY: 1789400 3979.0589 20388.0024 14365.8772 270.9429 -202978.0028 2407.3975 0.0000 0.0000 51880.2919 -109686.4320 298.1568 -161566.7239 -109319.7156 298.7951 -72.2813 -43.1523 761746.1565 20.5907 20.6466 PRESSURE: 1789600 -21.6955 92.379 -48.9896 92.3784 -231.962 -302.535 -48.9895 -302.535 -264.077 GPRESSURE: 1789600 -25.4877 134.163 -66.9587 111.151 -134.636 -280.705 13.9996 -174.072 -278.638 PRESSAVG: 1789600 19.1798 -78.9665 -19.7989 -78.9665 -36.7337 -24.064 -19.7989 -24.0641 -8.96597 GPRESSAVG: 1789600 18.1135 -77.1916 -21.1206 -79.5918 -35.2723 -25.4569 -20.1274 -21.9266 -9.52193 TIMING: 1789600 CPU: 5701.92, 0.00317737/step Wall: 5701.92, 0.00317737/step, 2.83351 hours remaining, 241.410156 MB of memory in use. ENERGY: 1789600 3997.7379 20268.8460 14423.7179 253.1790 -202941.3131 2307.3807 0.0000 0.0000 52086.3740 -109604.0775 299.3411 -161690.4515 -109239.0718 298.9566 -172.5783 -146.2539 761784.8213 -8.8400 -8.8936 PRESSURE: 1789800 334.815 141.396 -94.4835 141.396 -97.7577 -184.39 -94.4845 -184.389 -61.4328 GPRESSURE: 1789800 346.581 103.644 -80.057 69.018 -115.278 -154.018 -32.451 -208.411 38.4234 PRESSAVG: 1789800 8.14186 -48.7205 23.7847 -48.7205 -1.46555 -22.3767 23.7847 -22.3768 28.0003 GPRESSAVG: 1789800 8.72865 -48.2661 24.6134 -49.3783 -2.97647 -23.7683 23.7165 -20.3754 28.802 TIMING: 1789800 CPU: 5702.56, 0.00319542/step Wall: 5702.56, 0.00319542/step, 2.84943 hours remaining, 241.410156 MB of memory in use. ENERGY: 1789800 4014.5762 20412.7006 14482.0390 249.8945 -203189.9205 2710.8173 0.0000 0.0000 51805.3094 -109514.5836 297.7258 -161319.8930 -109159.3858 299.1350 58.5414 89.9089 760778.4207 11.5589 11.5181 PRESSURE: 1790000 -265.367 -145.961 -301.745 -145.961 268.77 181.04 -301.745 181.041 -319.863 GPRESSURE: 1790000 -203.359 -176.476 -290.439 -293.489 324.927 159.126 -152.062 208.863 -332.665 PRESSAVG: 1790000 15.7629 -39.2238 0.128829 -39.2238 2.40008 -19.194 0.128804 -19.1941 -5.26766 GPRESSAVG: 1790000 15.4366 -41.6286 -0.256155 -38.8166 2.84709 -18.0485 -0.916983 -19.8732 -4.99403 TIMING: 1790000 CPU: 5703.2, 0.00319144/step Wall: 5703.2, 0.00319144/step, 2.8457 hours remaining, 241.410156 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: 1790000 4068.2828 20482.9374 14448.6657 255.3600 -203352.6176 2507.4525 0.0000 0.0000 52057.5236 -109532.3957 299.1753 -161589.9193 -109171.3081 299.2890 -105.4866 -70.3657 762355.4748 4.2984 4.4299 PRESSURE: 1790200 -18.5012 -79.0724 -20.7333 -79.0726 -172.064 -141.13 -20.7326 -141.128 51.5703 GPRESSURE: 1790200 -22.1779 -35.2573 -34.1101 -37.3914 -165.09 -126.713 112.97 -110.626 121.311 PRESSAVG: 1790200 17.3484 -30.912 -13.4372 -30.912 36.4264 50.6933 -13.4372 50.6934 -27.8075 GPRESSAVG: 1790200 17.8666 -30.3959 -13.8003 -31.8591 36.6628 48.8666 -12.2137 49.8853 -28.0643 TIMING: 1790200 CPU: 5703.84, 0.00321979/step Wall: 5703.84, 0.00321979/step, 2.8708 hours remaining, 241.410156 MB of memory in use. ENERGY: 1790200 3960.2103 20566.5260 14437.6030 235.2772 -203040.1337 2361.9551 0.0000 0.0000 52032.1659 -109446.3962 299.0296 -161478.5621 -109095.2688 299.5638 -46.3317 -21.9858 761103.6083 8.6558 8.8217 PRESSURE: 1790400 110.516 -49.3426 -8.73272 -49.3433 188.523 -42.1169 -8.73308 -42.1172 172.827 GPRESSURE: 1790400 198.078 -88.3187 -49.5251 105.949 148.8 26.2544 -180.934 -137.186 192.678 PRESSAVG: 1790400 46.8573 -19.5403 -45.2559 -19.5403 -47.6424 2.45209 -45.2559 2.45202 -7.64564 GPRESSAVG: 1790400 47.4487 -20.8534 -43.8141 -17.1625 -47.454 4.91351 -46.2679 0.888689 -8.71259 TIMING: 1790400 CPU: 5704.48, 0.00321333/step Wall: 5704.48, 0.00321333/step, 2.86486 hours remaining, 241.410156 MB of memory in use. ENERGY: 1790400 4013.4644 20372.5851 14508.0464 260.4821 -203076.8220 2519.2831 0.0000 0.0000 52127.5250 -109275.4358 299.5776 -161402.9608 -108902.4086 299.1780 157.2886 179.8521 761268.5297 -2.8102 -2.9060 PRESSURE: 1790600 -331.629 -167.621 -40.5429 -167.621 179.832 -60.6094 -40.5429 -60.6089 219.999 GPRESSURE: 1790600 -228.808 -237.477 -57.2465 -26.9452 177.864 -59.4903 -118.235 -137.695 210.175 PRESSAVG: 1790600 11.2858 -10.7285 -78.6426 -10.7285 -51.2838 2.24544 -78.6426 2.24536 20.4965 GPRESSAVG: 1790600 10.4298 -10.2773 -80.2895 -10.2894 -50.6549 0.299963 -76.3549 3.86719 20.5498 TIMING: 1790600 CPU: 5705.12, 0.00320601/step Wall: 5705.12, 0.00320601/step, 2.85816 hours remaining, 241.410156 MB of memory in use. ENERGY: 1790600 4056.9135 20448.1645 14418.2902 245.8774 -203161.2594 2575.1106 0.0000 0.0000 51967.4728 -109449.4304 298.6578 -161416.9032 -109090.3993 299.6419 22.7342 53.0767 761359.5916 -6.5005 -6.5584 PRESSURE: 1790800 175.143 -65.4479 51.9342 -65.4475 5.34308 -11.1542 51.9344 -11.1548 152.676 GPRESSURE: 1790800 194.922 -96.7663 152.092 -84.0718 36.8248 -23.8984 36.6962 167.319 192.177 PRESSAVG: 1790800 -55.324 -45.6681 -6.416 -45.6681 26.5846 41.6675 -6.41605 41.6675 10.5767 GPRESSAVG: 1790800 -55.2499 -46.2283 -6.11787 -46.5623 26.2116 41.8672 -7.6936 43.2747 10.9222 TIMING: 1790800 CPU: 5705.77, 0.00322187/step Wall: 5705.77, 0.00322187/step, 2.87211 hours remaining, 241.410156 MB of memory in use. ENERGY: 1790800 3968.2340 20572.8185 14416.8324 273.0624 -203201.8294 2313.5506 0.0000 0.0000 52278.1362 -109379.1952 300.4432 -161657.3314 -109019.4573 298.8929 111.0543 141.3081 760783.6426 -6.0542 -6.0387 PRESSURE: 1791000 -39.2754 -164.531 103.338 -164.532 261.388 74.4272 103.339 74.4269 190.188 GPRESSURE: 1791000 -16.4831 -107.242 7.76413 -69.6101 240.234 156.926 144.312 -37.7032 244.196 PRESSAVG: 1791000 -69.0027 -27.0851 -5.54976 -27.0851 24.9901 54.617 -5.54978 54.6169 3.67486 GPRESSAVG: 1791000 -69.5436 -26.3774 -6.88917 -28.0186 25.6139 55.0701 -5.84753 52.5866 3.23325 TIMING: 1791000 CPU: 5706.4, 0.00317933/step Wall: 5706.4, 0.00317933/step, 2.83402 hours remaining, 241.410156 MB of memory in use. ENERGY: 1791000 3946.5617 20449.8629 14443.1572 246.3071 -203608.5238 2923.0261 0.0000 0.0000 51931.8083 -109667.8006 298.4528 -161599.6089 -109311.1572 299.4644 137.4336 155.9822 760302.2085 -13.4459 -13.5655 PRESSURE: 1791200 2.07271 -160.728 8.04415 -160.728 165.795 -140.438 8.04493 -140.436 -259.125 GPRESSURE: 1791200 -31.8253 -59.3107 -74.2166 -61.868 148.621 -96.0466 -31.5553 -164.677 -130.027 PRESSAVG: 1791200 29.0044 -64.283 36.0432 -64.283 18.2039 43.5973 36.0432 43.5974 -1.64462 GPRESSAVG: 1791200 29.9001 -63.0267 35.512 -65.9861 15.6664 43.031 36.1511 43.0172 0.231545 TIMING: 1791200 CPU: 5707.04, 0.0031687/step Wall: 5707.04, 0.0031687/step, 2.82436 hours remaining, 241.410156 MB of memory in use. ENERGY: 1791200 4036.1887 20463.9205 14386.1409 241.9511 -203779.0963 2921.5182 0.0000 0.0000 51982.2591 -109747.1178 298.7428 -161729.3769 -109389.6084 298.8743 -30.4192 -4.4104 762036.1714 15.1879 15.2660 PRESSURE: 1791400 122.153 100.465 246.947 100.466 -88.0289 79.0845 246.947 79.0841 -90.9108 GPRESSURE: 1791400 115.015 105.806 245.98 172.042 -53.4504 6.30499 286.719 23.842 -39.3119 PRESSAVG: 1791400 33.1639 -28.982 -59.7028 -28.982 -9.65359 46.7943 -59.7028 46.7942 3.49736 GPRESSAVG: 1791400 32.0816 -29.4119 -58.5944 -25.5336 -7.8037 45.1678 -61.727 46.6798 2.78966 TIMING: 1791400 CPU: 5707.68, 0.00319032/step Wall: 5707.68, 0.00319032/step, 2.84346 hours remaining, 241.410156 MB of memory in use. ENERGY: 1791400 3972.1801 20463.8293 14355.2078 239.7617 -203290.4007 2752.5002 0.0000 0.0000 51835.4635 -109671.4582 297.8991 -161506.9216 -109296.6365 299.1876 -18.9290 7.4177 762638.6522 9.0026 9.0225 PRESSURE: 1791600 -424.302 17.3351 70.6822 17.335 -108.282 -150.694 70.6824 -150.695 -259.341 GPRESSURE: 1791600 -385.575 -115.097 -6.38916 -110.725 -27.8818 -167.575 7.14587 -59.2789 -280.642 PRESSAVG: 1791600 28.736 -37.9601 -52.5434 -37.9601 -47.1544 -42.5612 -52.5433 -42.5611 10.7167 GPRESSAVG: 1791600 29.681 -40.9657 -52.091 -37.6262 -48.0226 -41.0587 -51.7936 -41.7123 10.6379 TIMING: 1791600 CPU: 5708.31, 0.00316822/step Wall: 5708.31, 0.00316822/step, 2.82359 hours remaining, 241.410156 MB of memory in use. ENERGY: 1791600 4054.3729 20569.8671 14401.6078 258.4814 -203536.2750 2637.7505 0.0000 0.0000 51832.4197 -109781.7757 297.8816 -161614.1954 -109418.1666 298.5607 -263.9753 -231.3664 761343.6815 -2.5672 -2.5679 PRESSURE: 1791800 -87.5693 -32.2341 -91.4704 -32.234 255.92 121.419 -91.4712 121.419 168.847 GPRESSURE: 1791800 -57.1269 73.0128 -40.4395 -67.9347 277.858 17.145 -37.1794 81.0039 196.352 PRESSAVG: 1791800 39.0515 -22.6477 -20.2827 -22.6478 -33.0931 26.6597 -20.2827 26.6598 4.38417 GPRESSAVG: 1791800 38.3158 -20.0626 -21.2171 -24.0016 -31.5312 26.2934 -20.582 26.7376 4.04814 TIMING: 1791800 CPU: 5708.94, 0.00316024/step Wall: 5708.94, 0.00316024/step, 2.8163 hours remaining, 241.410156 MB of memory in use. ENERGY: 1791800 3962.4731 20533.0666 14385.2718 241.9345 -203276.6900 2456.6002 0.0000 0.0000 51822.7549 -109874.5889 297.8261 -161697.3438 -109510.5580 298.2711 112.3989 139.0279 760851.8972 3.4475 3.6109 PRESSURE: 1792000 -172.7 -80.015 2.66872 -80.0152 -365.131 56.8995 2.66841 56.9002 -159.509 GPRESSURE: 1792000 -176.072 -51.202 -18.4748 -152.947 -281.757 78.0443 39.4651 69.0263 -153.601 PRESSAVG: 1792000 -56.8025 -52.5649 -35.3235 -52.5649 48.1049 -25.5549 -35.3234 -25.5549 12.2319 GPRESSAVG: 1792000 -57.3715 -51.3284 -33.8504 -54.2149 47.0173 -24.7073 -35.1235 -27.8091 13.9163 TIMING: 1792000 CPU: 5709.58, 0.00318217/step Wall: 5709.58, 0.00318217/step, 2.83567 hours remaining, 241.410156 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: 1792000 3979.7182 20510.6158 14474.9353 245.0235 -203619.9367 2629.3479 0.0000 0.0000 52050.5338 -109729.7623 299.1351 -161780.2960 -109370.9730 298.5890 -232.4467 -203.8101 761297.4072 1.1781 1.1873 PRESSURE: 1792200 150.729 -28.7708 16.5382 -28.7701 72.0452 -150.718 16.5378 -150.718 98.9011 GPRESSURE: 1792200 216.474 2.58563 18.0556 -110.402 138.194 -61.3389 -143.245 -44.9914 38.3374 PRESSAVG: 1792200 -16.1555 -52.9444 2.0162 -52.9444 15.7373 17.2043 2.01622 17.2044 9.33527 GPRESSAVG: 1792200 -16.1117 -53.2254 0.91502 -51.238 16.1719 18.4765 2.46036 18.9362 9.10181 TIMING: 1792200 CPU: 5710.22, 0.0031967/step Wall: 5710.22, 0.0031967/step, 2.84843 hours remaining, 241.410156 MB of memory in use. ENERGY: 1792200 3876.4395 20459.0249 14420.8701 245.6579 -203638.2236 2729.2661 0.0000 0.0000 51941.4033 -109965.5618 298.5080 -161906.9651 -109608.1359 297.9962 107.2250 131.0020 762078.3866 2.9724 3.0540 LDB: ============= START OF LOAD BALANCING ============== 5722.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5722.68 LDB: =============== DONE WITH MIGRATION ================ 5722.68 LDB: ============= START OF LOAD BALANCING ============== 5723 LDB: Largest compute 7034 load 0.037227 is 19.1% of average load 0.195086 LDB: Average compute 0.004429 is 2.3% of average load 0.195086 LDB: TIME 5723 LOAD: AVG 0.195086 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.828 MB LDB: TIME 5723.01 LOAD: AVG 0.195086 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.832 MB LDB: TIME 5723.01 LOAD: AVG 0.195086 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.832 MB LDB: ============== END OF LOAD BALANCING =============== 5723.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5723.01 PRESSURE: 1792400 -185.132 -94.4422 242.63 -94.4431 -62.6194 -87.1087 242.631 -87.1091 86.5264 GPRESSURE: 1792400 -57.2014 -103.915 125.714 -69.986 -117.11 -138.673 309.224 -118.053 108.471 PRESSAVG: 1792400 -30.9062 -72.6006 4.36365 -72.6006 -5.4897 22.603 4.36369 22.6031 -1.85984 GPRESSAVG: 1792400 -29.8412 -72.1494 5.54725 -73.3592 -5.97026 21.9763 2.95393 23.0387 -2.4163 TIMING: 1792400 CPU: 5710.88, 0.00329279/step Wall: 5710.88, 0.00329279/step, 2.93387 hours remaining, 240.000000 MB of memory in use. ENERGY: 1792400 4020.3143 20490.6729 14517.1554 242.7298 -203500.7436 2493.9141 0.0000 0.0000 51871.5716 -109864.3855 298.1066 -161735.9571 -109511.0713 298.0930 -53.7416 -21.9468 762579.4107 -12.7519 -12.7426 PRESSURE: 1792600 23.0062 -12.3365 -156.133 -12.337 22.9061 -92.4933 -156.133 -92.4924 -240.043 GPRESSURE: 1792600 -17.3397 14.3376 -154.382 -93.4104 55.683 -99.9387 -112.554 -83.7811 -171.091 PRESSAVG: 1792600 30.3684 -43.5976 -60.1555 -43.5977 -39.6742 -1.43555 -60.1555 -1.43552 20.4037 GPRESSAVG: 1792600 29.0748 -45.847 -61.3117 -41.8076 -40.2918 -3.55958 -57.713 -1.61566 21.9317 TIMING: 1792600 CPU: 5711.53, 0.00325694/step Wall: 5711.53, 0.00325695/step, 2.90176 hours remaining, 240.000000 MB of memory in use. ENERGY: 1792600 4043.4778 20328.7031 14494.4984 250.1789 -203489.4694 2718.6805 0.0000 0.0000 51873.1262 -109780.8044 298.1156 -161653.9306 -109432.5622 298.3599 -64.7104 -44.2491 762797.2250 3.6993 3.5716 PRESSURE: 1792800 -251.234 0.499046 -216.926 0.498811 -66.6134 132.377 -216.927 132.377 -171.81 GPRESSURE: 1792800 -270.302 9.3343 -317.947 -178.082 -21.1167 64.069 -102.272 142.636 -143.115 PRESSAVG: 1792800 62.2319 -35.4103 -20.2552 -35.4102 -40.9255 -36.6597 -20.2552 -36.6597 8.77758 GPRESSAVG: 1792800 62.2465 -33.6172 -18.4169 -37.9423 -39.4183 -34.2953 -19.4632 -37.2516 7.88088 TIMING: 1792800 CPU: 5712.17, 0.00319546/step Wall: 5712.17, 0.00319546/step, 2.8468 hours remaining, 240.000000 MB of memory in use. ENERGY: 1792800 3965.8510 20409.8052 14464.3109 240.1810 -203501.9334 2562.3776 0.0000 0.0000 51887.9013 -109971.5064 298.2005 -161859.4077 -109616.8996 298.4159 -163.2193 -144.8446 762404.5454 10.0280 10.2363 PRESSURE: 1793000 139.464 -119.472 -99.1815 -119.472 -32.9957 -77.0732 -99.1809 -77.0732 342.125 GPRESSURE: 1793000 271.477 -82.5315 -106.412 -130.57 -13.1584 -17.6662 -259.298 -185.712 272.883 PRESSAVG: 1793000 -3.51646 -37.7836 -38.5639 -37.7836 31.3698 -69.9234 -38.5639 -69.9235 -21.9717 GPRESSAVG: 1793000 -2.88273 -40.0089 -42.2952 -33.2064 30.0022 -72.4879 -39.1263 -70.2104 -21.9163 TIMING: 1793000 CPU: 5712.8, 0.00318769/step Wall: 5712.8, 0.00318769/step, 2.8397 hours remaining, 240.000000 MB of memory in use. ENERGY: 1793000 3950.1216 20491.8790 14500.4711 256.0594 -203820.3413 2743.0299 0.0000 0.0000 51784.0483 -110094.7320 297.6036 -161878.7802 -109739.0239 298.0382 149.5310 177.0673 760566.6676 1.9606 1.7344 PRESSURE: 1793200 -42.9335 269.381 114.833 269.381 -171.931 -178.185 114.833 -178.186 -61.3044 GPRESSURE: 1793200 17.3477 199.932 180.305 181.794 -147.49 -197.604 119.77 -175.634 -65.0534 PRESSAVG: 1793200 21.1916 -33.8732 -38.5252 -33.8733 23.005 -87.6377 -38.5252 -87.6376 -5.41399 GPRESSAVG: 1793200 21.3483 -33.7033 -36.7116 -35.4246 23.3488 -84.2737 -40.0904 -87.7976 -5.6795 TIMING: 1793200 CPU: 5713.45, 0.00322163/step Wall: 5713.45, 0.00322163/step, 2.86976 hours remaining, 240.000000 MB of memory in use. ENERGY: 1793200 4002.5182 20218.8261 14481.6134 252.6107 -203903.7762 2869.2155 0.0000 0.0000 52072.2664 -110006.7259 299.2600 -162078.9923 -109654.3857 298.1509 -92.0564 -65.0654 761908.9748 12.9275 13.0059 PRESSURE: 1793400 143.763 -27.3045 -69.3917 -27.3057 -356.594 84.9594 -69.3918 84.9596 11.0761 GPRESSURE: 1793400 159.257 -54.6314 15.0644 61.181 -367.446 78.0089 -105.871 37.3428 82.65 PRESSAVG: 1793400 -30.2485 37.6558 -62.7938 37.6558 13.7159 8.02773 -62.7938 8.02773 -15.3589 GPRESSAVG: 1793400 -30.1227 38.4948 -63.0972 38.4734 13.0253 6.00425 -62.7067 9.06057 -15.8158 TIMING: 1793400 CPU: 5714.09, 0.00320393/step Wall: 5714.09, 0.00320393/step, 2.85381 hours remaining, 240.000000 MB of memory in use. ENERGY: 1793400 4004.7860 20455.8671 14411.4019 253.8293 -202912.0433 2287.1667 0.0000 0.0000 51676.9902 -109822.0020 296.9884 -161498.9922 -109457.9615 298.3346 -67.2516 -41.8461 761803.6252 -10.6305 -10.9710 PRESSURE: 1793600 -170.674 -57.3399 -264.51 -57.3403 -212.016 -59.458 -264.511 -59.4572 -43.8562 GPRESSURE: 1793600 -100.814 -87.5946 -223.655 -135.222 -240.003 -78.1663 -404.683 20.1963 4.75468 PRESSAVG: 1793600 20.3897 9.11409 -28.6102 9.11406 -14.5826 29.2136 -28.6102 29.2136 -8.7249 GPRESSAVG: 1793600 20.3872 10.2512 -28.1204 7.07142 -14.8246 29.1937 -27.7684 28.2038 -8.32301 TIMING: 1793600 CPU: 5714.73, 0.00320567/step Wall: 5714.73, 0.00320567/step, 2.85518 hours remaining, 240.000000 MB of memory in use. ENERGY: 1793600 3887.8021 20597.6760 14443.7071 230.7150 -203351.4530 2482.9389 0.0000 0.0000 51879.3943 -109829.2196 298.1516 -161708.6139 -109467.2983 298.7717 -142.1821 -112.0208 760755.6043 -0.9726 -0.9201 PRESSURE: 1793800 6.26281 -100.943 -24.0583 -100.943 -269.608 162.513 -24.0577 162.512 67.3957 GPRESSURE: 1793800 33.5435 -127.575 -42.2753 -124.987 -162.092 184.874 -53.1272 118.212 18.6125 PRESSAVG: 1793800 19.1961 -25.3668 -17.2193 -25.3669 -17.9929 -12.1079 -17.2194 -12.1078 -41.709 GPRESSAVG: 1793800 18.608 -24.3393 -17.8757 -26.0364 -17.0103 -11.675 -20.3655 -12.5811 -41.8659 TIMING: 1793800 CPU: 5715.38, 0.00322514/step Wall: 5715.38, 0.00322514/step, 2.87235 hours remaining, 240.000000 MB of memory in use. ENERGY: 1793800 3953.7196 20427.0843 14447.0758 234.8107 -203522.0113 2817.3358 0.0000 0.0000 52064.5894 -109577.3956 299.2159 -161641.9851 -109206.6366 298.6276 -65.3163 -36.6452 762336.4176 -13.5019 -13.4227 PRESSURE: 1794000 -59.559 154.072 -224.224 154.072 -54.2141 170.704 -224.224 170.704 131.869 GPRESSURE: 1794000 -65.1557 137.798 -175.208 175.374 -43.764 202.911 -227.599 168.454 206.501 PRESSAVG: 1794000 32.2472 34.5848 33.5511 34.5848 0.502156 10.2285 33.551 10.2285 27.7866 GPRESSAVG: 1794000 30.8454 33.4931 33.4546 36.0046 0.241177 9.51248 36.5127 10.8125 29.0505 TIMING: 1794000 CPU: 5716.02, 0.0032044/step Wall: 5716.02, 0.0032044/step, 2.8537 hours remaining, 240.000000 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: 1794000 3985.3601 20448.7617 14392.0757 246.1048 -202996.1234 2363.7574 0.0000 0.0000 51933.3646 -109626.6991 298.4618 -161560.0637 -109263.2925 299.1043 6.0321 32.5272 763206.9281 20.1786 20.0457 PRESSURE: 1794200 -77.1831 31.2424 348.916 31.2421 174.693 134.48 348.915 134.479 113.123 GPRESSURE: 1794200 49.4571 -57.5941 217.11 16.0088 160.487 104.165 332.178 62.3297 89.3181 PRESSAVG: 1794200 30.3893 -54.4907 -34.1174 -54.4907 -12.0295 -21.0606 -34.1174 -21.0606 -18.7065 GPRESSAVG: 1794200 32.7695 -55.0434 -35.096 -56.0153 -13.8375 -21.4199 -35.5731 -23.0615 -19.7945 TIMING: 1794200 CPU: 5716.67, 0.00325483/step Wall: 5716.67, 0.00325483/step, 2.89843 hours remaining, 240.000000 MB of memory in use. ENERGY: 1794200 3970.6298 20372.8189 14462.8396 249.8968 -203459.7128 2819.1052 0.0000 0.0000 51922.4957 -109661.9268 298.3993 -161584.4225 -109301.4006 299.3116 70.2110 99.7542 762391.1950 -0.1156 -0.2875 PRESSURE: 1794400 -41.1804 -177.917 -34.471 -177.917 229.158 -112.329 -34.4709 -112.329 -44.1574 GPRESSURE: 1794400 -72.4434 -185.462 -80.0348 -198.596 310.241 -27.7542 49.2257 -151.202 -32.3496 PRESSAVG: 1794400 -41.1554 -18.1719 -2.89251 -18.1719 22.4368 4.90634 -2.89248 4.9064 20.5025 GPRESSAVG: 1794400 -41.8316 -18.3991 -0.708186 -17.0925 23.1273 4.91997 -2.50887 6.13278 20.5362 TIMING: 1794400 CPU: 5717.32, 0.00324199/step Wall: 5717.32, 0.00324199/step, 2.88681 hours remaining, 240.000000 MB of memory in use. ENERGY: 1794400 3962.3488 20316.0850 14349.4362 257.1022 -203328.7541 2683.4437 0.0000 0.0000 52111.1342 -109649.2039 299.4834 -161760.3382 -109284.7544 298.7672 47.9402 68.4826 761855.6207 0.5946 0.6106 PRESSURE: 1794600 -141.311 -66.7826 76.9502 -66.7831 365.88 -182.464 76.9499 -182.465 -15.1711 GPRESSURE: 1794600 -108.701 -118.1 -55.3151 -169.846 344.526 -128.597 125.467 15.1804 54.8228 PRESSAVG: 1794600 -53.0673 -64.5166 -0.601773 -64.5166 49.0347 -6.96817 -0.601757 -6.9682 5.47849 GPRESSAVG: 1794600 -52.3337 -64.0962 -0.799968 -64.9414 49.0324 -6.30469 -1.1087 -5.69106 4.72214 TIMING: 1794600 CPU: 5717.96, 0.00320295/step Wall: 5717.96, 0.00320295/step, 2.85187 hours remaining, 240.000000 MB of memory in use. ENERGY: 1794600 3981.3091 20561.5326 14465.3905 240.5532 -203439.2724 2651.0574 0.0000 0.0000 52112.1142 -109427.3155 299.4890 -161539.4297 -109072.1312 299.2408 69.7995 96.8825 760403.3422 0.4820 0.4736 PRESSURE: 1794800 319.664 -116.805 1.3154 -116.805 -156.819 131.478 1.31597 131.478 154.287 GPRESSURE: 1794800 308.898 -12.3534 3.03471 15.1626 -85.4929 138.182 -64.3002 65.9298 174.816 PRESSAVG: 1794800 8.77169 -42.3975 -36.4453 -42.3976 15.6316 3.86015 -36.4453 3.86008 4.21029 GPRESSAVG: 1794800 7.78316 -41.0834 -37.4548 -41.1791 15.1759 4.15785 -34.9779 1.68214 5.59883 TIMING: 1794800 CPU: 5718.59, 0.00318885/step Wall: 5718.59, 0.00318885/step, 2.83914 hours remaining, 240.000000 MB of memory in use. ENERGY: 1794800 4003.9326 20472.6323 14425.6936 251.7055 -203374.1953 2570.1913 0.0000 0.0000 52254.1436 -109395.8965 300.3053 -161650.0400 -109024.8693 299.9814 105.7104 132.7402 759788.9148 9.5378 9.5193 PRESSURE: 1795000 -199.44 -13.205 4.94074 -13.2052 -93.6775 17.5565 4.94066 17.556 305.861 GPRESSURE: 1795000 -89.5789 -50.7392 -1.88305 -99.8842 -70.533 -34.4258 10.4334 10.6181 251.567 PRESSAVG: 1795000 60.4641 -35.9939 16.311 -35.994 -35.4594 -8.14215 16.311 -8.14211 -6.70308 GPRESSAVG: 1795000 60.4463 -36.6664 17.8256 -36.8605 -35.804 -8.94468 13.1173 -7.68494 -6.125 TIMING: 1795000 CPU: 5719.23, 0.00318695/step Wall: 5719.23, 0.00318695/step, 2.83727 hours remaining, 240.000000 MB of memory in use. ENERGY: 1795000 3950.2496 20506.7582 14345.1473 265.0949 -203054.3586 2528.9942 0.0000 0.0000 52161.0397 -109297.0747 299.7702 -161458.1144 -108920.0446 300.1022 4.2477 30.4851 761144.7145 6.1006 6.1724 PRESSURE: 1795200 -24.8534 -47.9304 -266.603 -47.9295 233.272 -19.5663 -266.602 -19.5673 -47.1885 GPRESSURE: 1795200 154.645 36.3494 -187.347 34.3698 194.167 -38.464 -228.805 -61.2652 -111.568 PRESSAVG: 1795200 13.4597 -48.4704 -22.953 -48.4705 66.2756 -5.90221 -22.953 -5.90227 -4.93388 GPRESSAVG: 1795200 12.3725 -48.1034 -22.6779 -49.9932 67.2811 -5.65961 -20.5668 -5.42755 -5.13598 TIMING: 1795200 CPU: 5719.88, 0.00321796/step Wall: 5719.88, 0.00321796/step, 2.8647 hours remaining, 240.000000 MB of memory in use. ENERGY: 1795200 4000.6995 20568.9567 14396.2967 246.8197 -203241.9330 2476.3728 0.0000 0.0000 51864.7270 -109688.0605 298.0673 -161552.7876 -109319.4052 299.2590 53.7434 79.0813 760383.2518 24.9338 24.8392 PRESSURE: 1795400 -114.839 136.927 -40.9411 136.927 -88.2387 -73.2414 -40.9415 -73.24 -121.087 GPRESSURE: 1795400 -13.1673 29.9979 -45.0267 72.9289 -74.7743 -46.9432 -108.823 -122.699 -124.954 PRESSAVG: 1795400 24.9444 12.3132 -47.4894 12.3132 -11.2704 46.7711 -47.4894 46.7711 18.6525 GPRESSAVG: 1795400 27.4853 11.4862 -49.2353 15.3346 -11.463 48.1493 -48.7128 46.1416 17.1699 TIMING: 1795400 CPU: 5720.52, 0.00321944/step Wall: 5720.52, 0.00321944/step, 2.86584 hours remaining, 240.000000 MB of memory in use. ENERGY: 1795400 4102.7983 20492.4805 14384.0487 235.6432 -203689.4394 2748.7184 0.0000 0.0000 52046.6837 -109679.0666 299.1130 -161725.7504 -109315.7191 299.0389 -108.0550 -70.9652 761224.3486 10.7755 11.0641 PRESSURE: 1795600 196.436 -84.7132 -55.2401 -84.7135 384.526 -108.488 -55.2408 -108.487 482.892 GPRESSURE: 1795600 258.698 -40.8185 -86.5456 -87.1576 397.269 -175.345 62.2339 -40.1845 487.929 PRESSAVG: 1795600 -63.1779 18.1187 -17.3564 18.1187 46.4858 28.5321 -17.3564 28.5321 -1.64074 GPRESSAVG: 1795600 -64.9592 17.9405 -16.3994 17.2741 47.179 26.1601 -16.1248 30.4508 -1.25167 TIMING: 1795600 CPU: 5721.16, 0.0031893/step Wall: 5721.16, 0.0031893/step, 2.83883 hours remaining, 240.000000 MB of memory in use. ENERGY: 1795600 4020.1189 20602.7138 14378.3672 259.0572 -203865.7756 2884.5549 0.0000 0.0000 52205.2463 -109515.7173 300.0243 -161720.9636 -109161.6164 299.3753 354.6178 381.2986 759928.2063 -6.1109 -6.3440 PRESSURE: 1795800 284.719 -20.1845 7.14386 -20.184 183.898 -317.634 7.1434 -317.633 344.551 GPRESSURE: 1795800 299.968 -79.1473 118.371 -26.7447 255.809 -307.596 -2.0179 -221.865 360.15 PRESSAVG: 1795800 -65.576 -10.9894 -17.6574 -10.9895 -1.35973 -46.317 -17.6574 -46.317 10.4905 GPRESSAVG: 1795800 -65.1292 -11.271 -18.0727 -11.3519 -0.960788 -45.9004 -16.5542 -48.4353 9.51257 TIMING: 1795800 CPU: 5721.8, 0.00320485/step Wall: 5721.8, 0.00320486/step, 2.8525 hours remaining, 240.000000 MB of memory in use. ENERGY: 1795800 3907.5371 20711.6879 14397.6357 236.3964 -203864.1211 2914.0467 0.0000 0.0000 52222.0163 -109474.8011 300.1206 -161696.8174 -109115.7004 299.7747 271.0562 305.3091 760913.3880 -18.8151 -18.8591 PRESSURE: 1796000 -43.6973 -52.0653 -126.429 -52.0653 -193.841 108.63 -126.43 108.631 -60.0563 GPRESSURE: 1796000 -69.6232 -115.089 -114.092 -18.2269 -186.128 167.21 -59.9047 47.7747 39.9018 PRESSAVG: 1796000 22.5495 -34.9209 2.88779 -34.9208 19.0938 0.760045 2.88791 0.760049 -3.75063 GPRESSAVG: 1796000 19.4986 -35.2734 1.31874 -34.4284 19.6269 1.22521 0.686784 -0.0784555 -0.634333 TIMING: 1796000 CPU: 5722.44, 0.00323503/step Wall: 5722.44, 0.00323503/step, 2.87918 hours remaining, 240.000000 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: 1796000 4027.4613 20525.0166 14388.9061 230.3859 -203425.1000 2681.2460 0.0000 0.0000 52194.5822 -109377.5018 299.9630 -161572.0841 -109019.6171 299.5452 -99.1981 -71.9497 761236.6586 12.6309 12.8304 PRESSURE: 1796200 -205.232 202.042 -1.44699 202.042 155.065 -154.335 -1.44747 -154.334 251.88 GPRESSURE: 1796200 -203.763 229.648 -42.0631 168.672 176.644 -89.8709 -126.251 -109.096 323.198 PRESSAVG: 1796200 3.00429 -18.2012 -39.7998 -18.2013 2.62063 -16.587 -39.7999 -16.587 -26.0593 GPRESSAVG: 1796200 5.26729 -17.2135 -39.3725 -19.9186 2.32881 -15.5123 -39.0772 -17.6984 -28.5189 TIMING: 1796200 CPU: 5723.09, 0.00322528/step Wall: 5723.09, 0.00322528/step, 2.87032 hours remaining, 240.000000 MB of memory in use. ENERGY: 1796200 4035.6939 20555.1237 14443.0834 240.2325 -203412.5417 2601.1003 0.0000 0.0000 52280.3294 -109256.9786 300.4558 -161537.3080 -108891.0428 299.7739 67.2377 98.6931 760011.6698 -6.8115 -6.9743 LDB: ============= START OF LOAD BALANCING ============== 5735.55 LDB: ============== END OF LOAD BALANCING =============== 5735.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5735.55 LDB: ============= START OF LOAD BALANCING ============== 5735.87 LDB: Largest compute 7070 load 0.038282 is 19.6% of average load 0.195005 LDB: Average compute 0.004422 is 2.3% of average load 0.195005 LDB: TIME 5735.88 LOAD: AVG 0.195005 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.539 MB LDB: TIME 5735.88 LOAD: AVG 0.195005 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.543 MB LDB: TIME 5735.88 LOAD: AVG 0.195005 MAX 0.215457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.543 MB LDB: ============== END OF LOAD BALANCING =============== 5735.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5735.88 PRESSURE: 1796400 -272.837 -113.953 -26.7408 -113.954 -57.3577 -6.90439 -26.7411 -6.90501 -69.5436 GPRESSURE: 1796400 -181.094 -105.059 -94.8736 -212.544 -77.034 -70.6021 -105.238 44.1791 -64.8139 PRESSAVG: 1796400 -22.4942 -13.4495 4.54305 -13.4495 30.8624 -15.0732 4.54312 -15.0731 39.7358 GPRESSAVG: 1796400 -23.0386 -14.6053 4.26082 -12.5571 30.7474 -16.2721 4.60133 -11.8916 40.8532 TIMING: 1796400 CPU: 5723.75, 0.00329304/step Wall: 5723.75, 0.00329304/step, 2.93044 hours remaining, 239.285156 MB of memory in use. ENERGY: 1796400 4017.9053 20572.4591 14467.2165 247.1231 -203086.0545 2302.1554 0.0000 0.0000 52012.5311 -109466.6642 298.9167 -161479.1952 -109099.2840 300.0221 -133.2460 -107.6473 760297.4281 16.0347 16.1873 PRESSURE: 1796600 -44.217 14.6044 153.173 14.6043 97.0627 86.8831 153.173 86.8826 230.087 GPRESSURE: 1796600 -29.8735 -91.4394 146.491 84.8851 144.041 87.7694 274.875 88.6687 253.656 PRESSAVG: 1796600 20.7862 -32.9406 -37.271 -32.9406 -19.8098 -50.3568 -37.2711 -50.3569 -16.1942 GPRESSAVG: 1796600 21.0541 -32.7092 -35.8847 -33.5205 -19.7452 -49.7338 -38.6811 -54.1025 -16.9779 TIMING: 1796600 CPU: 5724.4, 0.00323723/step Wall: 5724.4, 0.00323723/step, 2.88059 hours remaining, 239.527344 MB of memory in use. ENERGY: 1796600 3987.1256 20470.4039 14397.1187 231.3672 -203433.0400 2537.4099 0.0000 0.0000 52242.5398 -109567.0749 300.2386 -161809.6147 -109208.5710 299.5833 94.3110 122.6078 759128.0398 -5.0726 -5.2230 PRESSURE: 1796800 229.343 65.1372 -78.5071 65.1374 472.946 -92.188 -78.5069 -92.1872 -233.196 GPRESSURE: 1796800 218.494 56.9265 -141.626 -12.9289 473.731 -115.018 -11.555 -33.9758 -137.815 PRESSAVG: 1796800 -4.16505 -16.9457 -21.1666 -16.9458 8.43275 8.1049 -21.1665 8.10484 13.1044 GPRESSAVG: 1796800 -4.09337 -16.904 -21.8621 -18.9001 7.3392 8.53924 -20.7197 11.3129 13.8962 TIMING: 1796800 CPU: 5725.04, 0.00322311/step Wall: 5725.04, 0.00322311/step, 2.86785 hours remaining, 239.527344 MB of memory in use. ENERGY: 1796800 3945.5601 20623.2217 14414.7495 256.3831 -203497.2052 2616.2442 0.0000 0.0000 51845.9605 -109795.0859 297.9594 -161641.0465 -109430.2457 299.4178 156.3643 184.8030 759260.8293 5.7907 5.7140 PRESSURE: 1797000 -118.244 -93.6208 -85.5363 -93.6205 -192.493 12.8665 -85.537 12.8661 -127.488 GPRESSURE: 1797000 -132.897 -196.793 -80.0105 145.56 -57.4689 -55.8228 21.6185 45.8426 -176.777 PRESSAVG: 1797000 38.7303 -54.3181 -10.237 -54.3181 -42.6188 -23.7232 -10.2371 -23.7232 -9.64026 GPRESSAVG: 1797000 38.7921 -52.8598 -10.2229 -53.7088 -42.1361 -25.4319 -8.40479 -25.6049 -10.2655 TIMING: 1797000 CPU: 5725.69, 0.00324358/step Wall: 5725.69, 0.00324358/step, 2.88589 hours remaining, 239.527344 MB of memory in use. ENERGY: 1797000 3932.6484 20624.7213 14387.9786 255.2996 -203405.6088 2521.4434 0.0000 0.0000 52010.0995 -109673.4180 298.9028 -161683.5175 -109320.5300 299.2300 -146.0750 -122.3809 760931.0950 -4.5096 -4.5365 PRESSURE: 1797200 273.604 171.472 -75.3584 171.472 120.297 37.2463 -75.3573 37.2455 195.283 GPRESSURE: 1797200 262.714 164.493 -54.2347 105.197 272.666 28.5258 -119.607 51.5002 144.041 PRESSAVG: 1797200 -28.8174 -11.683 -25.4266 -11.683 -5.98577 0.0115163 -25.4266 0.0114281 -13.7545 GPRESSAVG: 1797200 -28.9569 -11.8353 -26.2654 -9.89586 -5.72518 2.7375 -22.7056 0.925914 -14.0301 TIMING: 1797200 CPU: 5726.33, 0.00321057/step Wall: 5726.33, 0.00321057/step, 2.85634 hours remaining, 239.527344 MB of memory in use. ENERGY: 1797200 4067.5595 20520.1974 14479.8124 236.3095 -203422.9239 2480.8421 0.0000 0.0000 51884.5236 -109753.6795 298.1811 -161638.2031 -109385.2415 299.0671 196.3947 226.4736 760482.6550 -16.1859 -16.2374 PRESSURE: 1797400 -365.933 138.555 159.351 138.555 -148.366 -57.9269 159.351 -57.9264 -130.087 GPRESSURE: 1797400 -275.769 108.561 274.044 -41.1758 -123.509 86.4759 81.6329 -93.3092 -171.612 PRESSAVG: 1797400 9.47372 -41.6572 9.3508 -41.6572 9.63398 -15.2842 9.35076 -15.2843 12.2743 GPRESSAVG: 1797400 9.22361 -43.9736 10.6422 -41.3614 9.10467 -16.7623 5.42149 -16.0854 13.1946 TIMING: 1797400 CPU: 5726.97, 0.00321633/step Wall: 5726.97, 0.00321633/step, 2.86128 hours remaining, 239.527344 MB of memory in use. ENERGY: 1797400 4122.3552 20478.3500 14402.2876 258.7149 -203461.9040 2338.5768 0.0000 0.0000 52196.1086 -109665.5108 299.9718 -161861.6194 -109317.7611 298.9434 -214.7952 -190.2965 759802.0097 10.4607 10.5076 PRESSURE: 1797600 45.5535 35.4713 -2.39514 35.471 366.994 -55.3869 -2.39522 -55.3864 267.296 GPRESSURE: 1797600 140.318 42.0659 21.7698 -1.46571 358.199 -120.63 6.11183 -39.6874 243.928 PRESSAVG: 1797600 -18.381 -29.3113 -11.6847 -29.3113 77.2404 11.7356 -11.6846 11.7356 14.486 GPRESSAVG: 1797600 -17.5978 -28.6181 -10.6507 -30.4796 76.5402 12.7269 -13.518 12.1573 14.0835 TIMING: 1797600 CPU: 5727.62, 0.00321677/step Wall: 5727.62, 0.00321677/step, 2.8615 hours remaining, 239.527344 MB of memory in use. ENERGY: 1797600 3960.2834 20511.8489 14451.6696 238.0951 -203791.0015 2697.3244 0.0000 0.0000 52293.0481 -109638.7318 300.5289 -161931.7800 -109272.9319 299.4552 226.6144 247.4815 757602.5290 24.4485 24.3420 PRESSURE: 1797800 190.994 -50.9429 124.309 -50.9428 -65.9427 -300.83 124.309 -300.829 312.991 GPRESSURE: 1797800 262.273 -157.755 -41.7635 -17.7172 -69.5739 -367.544 150.26 -138.198 325.458 PRESSAVG: 1797800 4.08994 -11.095 -15.5843 -11.0949 4.98376 -10.5244 -15.5843 -10.5244 2.42386 GPRESSAVG: 1797800 4.63639 -13.7232 -18.7189 -10.6152 4.1484 -12.3735 -14.6828 -8.04451 2.56086 TIMING: 1797800 CPU: 5728.26, 0.00322386/step Wall: 5728.26, 0.00322386/step, 2.86763 hours remaining, 239.730469 MB of memory in use. ENERGY: 1797800 3934.9664 20694.7333 14441.9115 247.4926 -203457.8039 2848.2614 0.0000 0.0000 51797.3395 -109493.0992 297.6800 -161290.4387 -109144.2935 298.8572 146.0141 172.7190 758899.9012 3.8325 3.7819 PRESSURE: 1798000 129.531 105.867 49.9546 105.866 328.63 -4.88024 49.9551 -4.88049 122.887 GPRESSURE: 1798000 228.52 53.153 -15.5726 53.1719 317.891 85.7704 4.18429 -95.8364 104.313 PRESSAVG: 1798000 3.76936 -2.59794 -0.591767 -2.59793 -2.18664 67.6873 -0.591684 67.6872 -3.34174 GPRESSAVG: 1798000 2.43695 2.18238 0.590614 -4.66202 -1.40961 66.6882 -1.12403 66.8363 -3.08894 TIMING: 1798000 CPU: 5728.91, 0.00322533/step Wall: 5728.91, 0.00322533/step, 2.86876 hours remaining, 239.730469 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: 1798000 3932.3053 20425.9254 14430.2207 255.7014 -203242.9933 2716.6687 0.0000 0.0000 52091.5468 -109390.6250 299.3708 -161482.1718 -109029.1337 299.3053 193.6829 216.9080 760171.4370 -0.5863 -0.6872 PRESSURE: 1798200 272.618 -114.858 58.4293 -114.857 0.795778 177.291 58.429 177.291 183.561 GPRESSURE: 1798200 284.207 -163.432 0.506726 -234.668 91.3845 172.222 134.574 14.2975 175.972 PRESSAVG: 1798200 38.9047 -66.2543 27.8602 -66.2544 -57.5836 15.1944 27.8603 15.1944 -4.18002 GPRESSAVG: 1798200 38.8897 -68.3705 27.0506 -66.1885 -57.8895 17.7444 30.9445 13.6195 -3.85464 TIMING: 1798200 CPU: 5729.55, 0.00320128/step Wall: 5729.55, 0.00320128/step, 2.84719 hours remaining, 239.730469 MB of memory in use. ENERGY: 1798200 4011.8223 20543.7093 14466.9258 249.7342 -203117.9000 2730.2081 0.0000 0.0000 51976.1739 -109139.3263 298.7078 -161115.5003 -108788.2862 299.1614 152.3248 183.8543 761373.5711 -7.6196 -7.6182 PRESSURE: 1798400 12.3747 108.84 -60.0431 108.841 164.178 193.261 -60.0427 193.26 114.675 GPRESSURE: 1798400 103.221 191.325 -133.141 -25.6807 196.356 134.538 -29.3065 215.904 95.7937 PRESSAVG: 1798400 59.7659 -33.203 -43.649 -33.203 -33.933 1.88895 -43.649 1.88889 34.7267 GPRESSAVG: 1798400 60.939 -34.6215 -45.36 -32.2861 -33.7365 1.82521 -43.3452 1.24413 33.7832 TIMING: 1798400 CPU: 5730.19, 0.00319573/step Wall: 5730.19, 0.00319573/step, 2.84207 hours remaining, 239.730469 MB of memory in use. ENERGY: 1798400 3894.2545 20426.6181 14460.6464 244.8225 -203308.4727 2713.8208 0.0000 0.0000 52439.2130 -109129.0975 301.3689 -161568.3105 -108762.9927 300.8605 97.0759 131.7905 759592.3445 20.1865 20.3286 PRESSURE: 1798600 -2.78375 156.648 -137.446 156.648 37.463 37.2649 -137.446 37.2651 -356.804 GPRESSURE: 1798600 69.2193 156.638 -73.7377 228.709 30.0037 -72.8886 -97.2746 69.328 -334.93 PRESSAVG: 1798600 24.1499 -30.4886 -13.9904 -30.4886 -12.8135 9.03981 -13.9903 9.0398 -27.4035 GPRESSAVG: 1798600 24.0745 -27.8923 -12.1466 -29.0097 -13.4396 8.79376 -15.5793 10.4209 -26.6531 TIMING: 1798600 CPU: 5730.83, 0.00318896/step Wall: 5730.83, 0.00318896/step, 2.83587 hours remaining, 239.730469 MB of memory in use. ENERGY: 1798600 4029.6650 20523.1244 14482.3459 250.2034 -203031.1748 2448.8694 0.0000 0.0000 52294.3205 -109002.6462 300.5362 -161296.9667 -108643.8041 300.2195 -107.3750 -78.5691 762223.4475 -5.3557 -5.3394 PRESSURE: 1798800 29.4972 -188.85 -80.518 -188.849 -78.8499 -0.741927 -80.5175 -0.741688 113.936 GPRESSURE: 1798800 -23.2145 -125.552 -64.1645 -160.384 5.52002 -33.9022 -41.811 73.3884 167.608 PRESSAVG: 1798800 34.7961 -73.8931 34.4296 -73.8931 -13.1258 41.948 34.4296 41.948 10.6942 GPRESSAVG: 1798800 34.756 -75.6466 34.0821 -73.8684 -13.0727 40.2464 36.1151 40.3928 10.7511 TIMING: 1798800 CPU: 5731.46, 0.00319174/step Wall: 5731.46, 0.00319174/step, 2.83817 hours remaining, 239.730469 MB of memory in use. ENERGY: 1798800 3969.7240 20350.1951 14486.3839 258.3411 -202683.4236 2201.8502 0.0000 0.0000 52325.9198 -109091.0094 300.7178 -161416.9292 -108719.7666 300.1977 21.5277 49.9711 760456.7489 10.7882 10.8115 PRESSURE: 1799000 -33.143 158.482 39.0612 158.481 181.979 314.258 39.0617 314.259 228.869 GPRESSURE: 1799000 -66.3799 41.718 39.7543 136.477 288.34 351.705 -89.6242 230.66 233.615 PRESSAVG: 1799000 52.7202 -47.3077 9.1343 -47.3078 -9.16292 -16.8979 9.13424 -16.8979 -29.7039 GPRESSAVG: 1799000 50.1371 -45.943 8.53076 -49.2945 -6.38336 -16.3748 6.42313 -15.4483 -29.5631 TIMING: 1799000 CPU: 5732.11, 0.00321424/step Wall: 5732.11, 0.00321424/step, 2.85799 hours remaining, 239.730469 MB of memory in use. ENERGY: 1799000 3956.3998 20494.0324 14522.5149 259.9540 -203159.5527 2659.1803 0.0000 0.0000 52115.4460 -109152.0254 299.5082 -161267.4714 -108780.0397 300.1616 125.9017 151.8585 759549.1587 4.6178 4.7302 PRESSURE: 1799200 -106.694 -123.777 154.451 -123.777 -326.974 134.092 154.451 134.091 -198.084 GPRESSURE: 1799200 -20.479 -66.6758 125.059 -255.182 -304.976 79.3341 115.15 129.64 -211.248 PRESSAVG: 1799200 24.5612 -62.9794 -4.57809 -62.9795 -48.734 41.1175 -4.57817 41.1175 8.35387 GPRESSAVG: 1799200 26.2915 -61.514 -5.29871 -62.5719 -50.8146 42.1298 -4.67166 38.8698 8.95498 TIMING: 1799200 CPU: 5732.75, 0.00319606/step Wall: 5732.75, 0.00319606/step, 2.84165 hours remaining, 239.730469 MB of memory in use. ENERGY: 1799200 3968.9132 20604.7516 14423.4559 249.2929 -202892.5301 2368.7390 0.0000 0.0000 52120.5635 -109156.8139 299.5376 -161277.3774 -108787.0294 299.3877 -210.5837 -178.9010 762608.5797 -5.2730 -5.1894 PRESSURE: 1799400 55.0824 39.7356 117.753 39.7346 49.6489 -86.5507 117.753 -86.5498 -330.296 GPRESSURE: 1799400 136.563 5.85315 190.863 -15.6724 27.7371 -195.837 160.102 8.68422 -315.557 PRESSAVG: 1799400 18.259 -32.5365 -7.23487 -32.5365 -23.3938 21.3076 -7.23495 21.3076 -10.3223 GPRESSAVG: 1799400 19.8678 -35.3879 -5.11062 -32.7405 -23.8577 19.142 -4.88937 21.9434 -11.3336 TIMING: 1799400 CPU: 5733.39, 0.00321073/step Wall: 5733.39, 0.00321073/step, 2.85451 hours remaining, 239.730469 MB of memory in use. ENERGY: 1799400 3954.8530 20578.8755 14393.4017 224.6048 -202981.7054 2433.1085 0.0000 0.0000 52135.9840 -109260.8779 299.6262 -161396.8619 -108889.6896 299.8211 -75.1883 -50.4187 761103.4282 -5.1524 -5.1078 PRESSURE: 1799600 130.565 77.4047 87.2831 77.4041 23.091 278.001 87.2835 278 57.0146 GPRESSURE: 1799600 215.504 93.9446 22.8581 146.168 -1.41967 214.657 91.7886 333.032 80.4757 PRESSAVG: 1799600 38.9932 -42.7854 41.8967 -42.7854 4.95113 9.52658 41.8968 9.52661 25.492 GPRESSAVG: 1799600 38.5427 -40.8916 41.2095 -42.5636 5.78429 8.26479 39.6871 11.772 24.6115 TIMING: 1799600 CPU: 5734.02, 0.00317921/step Wall: 5734.02, 0.00317921/step, 2.82632 hours remaining, 239.730469 MB of memory in use. ENERGY: 1799600 3992.6592 20433.0130 14442.6057 241.3772 -203158.2562 2447.5174 0.0000 0.0000 52275.4713 -109325.6123 300.4279 -161601.0836 -108961.1026 299.9464 70.2234 98.1868 758461.8285 23.1454 22.9795 PRESSURE: 1799800 93.3878 222.453 50.8151 222.453 382.041 160.708 50.8156 160.707 79.3098 GPRESSURE: 1799800 94.756 261.84 10.4264 34.4677 430.5 122.59 -3.97428 126.201 103.21 PRESSAVG: 1799800 8.90335 -23.5195 39.1403 -23.5195 -21.077 -18.6278 39.1403 -18.6278 4.302 GPRESSAVG: 1799800 7.71229 -23.788 39.3022 -24.0444 -21.3472 -15.8315 38.8391 -20.5663 5.27357 TIMING: 1799800 CPU: 5734.66, 0.00319609/step Wall: 5734.66, 0.00319609/step, 2.84115 hours remaining, 239.730469 MB of memory in use. ENERGY: 1799800 3973.0707 20475.3441 14438.9979 246.7630 -203253.5974 2621.3545 0.0000 0.0000 52237.6232 -109260.4440 300.2103 -161498.0672 -108893.7001 299.7352 184.9128 209.4884 760093.1274 -2.6239 -2.7871 PRESSURE: 1800000 310.502 84.4313 -62.6663 84.432 -5.32619 16.824 -62.666 16.8254 255.169 GPRESSURE: 1800000 378.2 247.687 -109.079 131.461 115.207 39.4071 -163.668 102.49 162.234 PRESSAVG: 1800000 -2.82048 21.0871 -23.3817 21.0871 22.8557 32.9556 -23.3816 32.9556 6.70921 GPRESSAVG: 1800000 -2.09385 21.1788 -23.1864 22.6122 23.5631 31.8729 -23.3442 33.3286 5.89783 TIMING: 1800000 CPU: 5735.3, 0.00319975/step Wall: 5735.3, 0.00319975/step, 2.84422 hours remaining, 239.730469 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: 1800000 3983.5194 20587.4628 14452.0368 235.9119 -202816.1428 2283.6594 0.0000 0.0000 52205.3535 -109068.1988 300.0249 -161273.5523 -108704.3598 300.0867 186.7817 218.5469 761231.4650 8.9148 9.1224 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 -56.7689 -33.7418 59.6528 -33.7409 -372.99 -126.923 59.6531 -126.923 -74.6379 GPRESSURE: 1800200 -46.9383 -79.3917 122.349 -68.1918 -386.476 -122.855 -54.1178 -214.307 9.3451 PRESSAVG: 1800200 34.0386 19.5481 15.979 19.5481 -20.697 33.3723 15.979 33.3723 10.7611 GPRESSAVG: 1800200 34.0018 19.4118 15.8818 19.9786 -21.5164 32.6883 17.2048 33.9491 11.1302 TIMING: 1800200 CPU: 5740.04, 0.0236864/step Wall: 5740.04, 0.0236864/step, 21.0532 hours remaining, 239.730469 MB of memory in use. ENERGY: 1800200 4023.1959 20495.5534 14424.9635 236.7612 -202306.0854 1997.3298 0.0000 0.0000 52073.0629 -109055.2187 299.2646 -161128.2816 -108700.4622 300.2570 -168.1322 -141.3563 762461.0299 8.0342 7.8719 LDB: ============= START OF LOAD BALANCING ============== 5752.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5752.49 LDB: =============== DONE WITH MIGRATION ================ 5752.49 LDB: ============= START OF LOAD BALANCING ============== 5752.81 LDB: Largest compute 7070 load 0.036131 is 18.5% of average load 0.195071 LDB: Average compute 0.004406 is 2.3% of average load 0.195071 LDB: TIME 5752.82 LOAD: AVG 0.195071 MAX 0.219094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.023 MB LDB: TIME 5752.82 LOAD: AVG 0.195071 MAX 0.219094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: TIME 5752.82 LOAD: AVG 0.195071 MAX 0.216631 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: ============== END OF LOAD BALANCING =============== 5752.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5752.82 PRESSURE: 1800400 -68.5567 -103.226 44.285 -103.227 -30.4317 13.6483 44.2851 13.6479 43.8146 GPRESSURE: 1800400 42.0871 -28.256 66.9767 -136.756 -77.8136 49.9376 54.8643 -47.4548 42.8531 PRESSAVG: 1800400 33.1809 1.7506 -30.9751 1.75058 -74.9444 70.2836 -30.9751 70.2836 -6.18001 GPRESSAVG: 1800400 32.2444 1.93359 -29.7772 -0.10242 -74.968 69.8605 -31.5324 69.4218 -5.01038 TIMING: 1800400 CPU: 5740.69, 0.0032427/step Wall: 5740.69, 0.0032427/step, 2.88204 hours remaining, 241.281250 MB of memory in use. ENERGY: 1800400 3932.8540 20474.0221 14462.8093 254.0087 -202930.2483 2438.6951 0.0000 0.0000 52237.1486 -109130.7105 300.2076 -161367.8591 -108768.4089 299.8202 -18.3913 2.3755 760365.8809 -15.9812 -15.9113 PRESSURE: 1800600 173.034 -109.223 14.013 -109.223 -405.923 109.143 14.0128 109.143 463.268 GPRESSURE: 1800600 205.331 -72.2909 24.5758 -61.7668 -326.186 82.1171 -26.3247 108.247 448.874 PRESSAVG: 1800600 101.756 -6.1629 -4.0806 -6.16289 -85.124 14.2465 -4.08054 14.2465 9.78933 GPRESSAVG: 1800600 103.437 -5.91096 -4.58313 -4.39588 -84.988 15.0826 -5.07192 15.2741 7.93724 TIMING: 1800600 CPU: 5741.33, 0.003189/step Wall: 5741.33, 0.003189/step, 2.83414 hours remaining, 241.484375 MB of memory in use. ENERGY: 1800600 3972.6146 20558.8995 14431.0067 256.9297 -203017.8858 2429.8502 0.0000 0.0000 52030.6405 -109337.9446 299.0208 -161368.5851 -108975.9707 299.8478 76.7933 109.3398 758795.9867 8.8072 8.7954 PRESSURE: 1800800 -8.11357 42.8409 83.1665 42.8407 -168.235 -83.5072 83.1664 -83.5073 -40.4042 GPRESSURE: 1800800 -18.2914 122.363 105.495 -116.467 -74.9499 -102.923 241.598 -176.325 -24.2235 PRESSAVG: 1800800 104.937 -3.09365 -9.33439 -3.0937 -87.5146 2.54196 -9.33439 2.54199 15.6243 GPRESSAVG: 1800800 103.47 -5.19389 -9.57598 -3.17627 -86.2027 3.58746 -7.03464 -0.264755 15.702 TIMING: 1800800 CPU: 5741.96, 0.00317962/step Wall: 5741.96, 0.00317962/step, 2.82562 hours remaining, 241.484375 MB of memory in use. ENERGY: 1800800 3950.3871 20509.6663 14417.3624 238.8274 -203222.4326 2481.2921 0.0000 0.0000 52195.7022 -109429.1953 299.9694 -161624.8974 -109070.2829 299.7887 -72.2510 -39.1549 760745.3866 11.0156 10.9899 PRESSURE: 1801000 -105.291 103.459 13.7995 103.46 58.8201 -31.7282 13.8005 -31.7287 -240.944 GPRESSURE: 1801000 -43.1607 99.7256 76.1181 35.6217 35.0985 31.4522 1.78928 62.4835 -223.044 PRESSAVG: 1801000 52.6898 -61.6817 20.9481 -61.6817 -7.76311 32.3992 20.9481 32.3992 -4.65469 GPRESSAVG: 1801000 53.3301 -58.6691 20.4785 -64.5363 -9.70472 32.3378 19.1117 35.0108 -3.57059 TIMING: 1801000 CPU: 5742.6, 0.0031885/step Wall: 5742.6, 0.0031885/step, 2.83334 hours remaining, 241.484375 MB of memory in use. ENERGY: 1801000 3949.6066 20419.9767 14409.8198 246.9214 -203555.5754 2627.1535 0.0000 0.0000 52347.0593 -109555.0381 300.8393 -161902.0974 -109192.3650 299.5313 -95.8047 -77.0354 761070.6785 13.4240 13.3516 PRESSURE: 1801200 256.033 74.765 16.0967 74.7653 110.974 226.858 16.097 226.859 -47.268 GPRESSURE: 1801200 236.018 91.2695 -29.0808 125.5 146.133 225.446 39.4068 40.9188 13.0952 PRESSAVG: 1801200 42.8605 -7.97436 55.4437 -7.9744 -95.144 42.7652 55.4437 42.7652 -0.4103 GPRESSAVG: 1801200 43.2708 -9.31218 56.5128 -5.22204 -94.7705 42.8703 56.6556 40.8617 -0.875398 TIMING: 1801200 CPU: 5743.24, 0.00320158/step Wall: 5743.24, 0.00320158/step, 2.84478 hours remaining, 241.484375 MB of memory in use. ENERGY: 1801200 3951.9007 20460.3450 14419.1069 242.4980 -203106.0173 2631.1046 0.0000 0.0000 51894.3689 -109506.6932 298.2377 -161401.0621 -109150.2388 298.8984 106.5798 131.7486 761180.0375 -17.5646 -17.4584 PRESSURE: 1801400 490.439 -37.2239 -46.7664 -37.2238 295.275 242.68 -46.7667 242.679 24.3753 GPRESSURE: 1801400 465.185 -95.0725 18.1102 52.9408 320.271 243.98 -69.4625 104.131 95.568 PRESSAVG: 1801400 11.2007 24.9218 -23.189 24.9219 3.26434 24.9994 -23.189 24.9994 -7.80853 GPRESSAVG: 1801400 10.8237 26.8982 -24.6556 23.2082 4.51096 24.4261 -23.8967 27.3514 -8.33671 TIMING: 1801400 CPU: 5743.88, 0.00319671/step Wall: 5743.88, 0.00319671/step, 2.84028 hours remaining, 241.484375 MB of memory in use. ENERGY: 1801400 4065.6635 20496.7460 14358.9783 249.1945 -203524.1572 2861.3170 0.0000 0.0000 51992.3672 -109499.8909 298.8008 -161492.2581 -109144.4781 299.4212 270.0296 293.6750 760665.7438 2.2188 2.3326 PRESSURE: 1801600 1.31658 -165.687 88.923 -165.688 -190.18 203.008 88.9237 203.007 -60.7109 GPRESSURE: 1801600 -6.07654 -53.2231 93.4034 -43.0454 -228.65 222.692 16.8859 196.406 76.0794 PRESSAVG: 1801600 24.8234 -29.7408 -7.18712 -29.7408 -29.6242 -6.81708 -7.18709 -6.81699 5.90024 GPRESSAVG: 1801600 24.4115 -30.6598 -6.35723 -26.4634 -29.7848 -7.96865 -6.52129 -5.89308 6.28195 TIMING: 1801600 CPU: 5744.52, 0.00319655/step Wall: 5744.52, 0.00319655/step, 2.83996 hours remaining, 241.484375 MB of memory in use. ENERGY: 1801600 4060.0173 20713.9391 14492.3547 248.3091 -203405.4757 2539.5912 0.0000 0.0000 51829.3450 -109521.9193 297.8640 -161351.2643 -109169.9908 299.6848 -83.1913 -52.8824 759810.3626 0.3665 0.3029 PRESSURE: 1801800 -16.4604 134.873 -215.199 134.872 32.521 317.313 -215.199 317.313 -116.6 GPRESSURE: 1801800 -0.80875 99.7182 -181.741 -5.18787 107.072 213.87 -209.72 280.61 -119.789 PRESSAVG: 1801800 1.28965 -63.8476 -4.21971 -63.8475 2.23508 33.7678 -4.21977 33.7678 7.62352 GPRESSAVG: 1801800 1.11212 -65.4698 -4.40973 -64.4623 1.26553 35.8172 -6.20298 30.6874 8.68491 TIMING: 1801800 CPU: 5745.16, 0.00320645/step Wall: 5745.16, 0.00320645/step, 2.84858 hours remaining, 241.484375 MB of memory in use. ENERGY: 1801800 3903.6430 20609.9838 14422.6506 239.5061 -203134.0592 2469.3485 0.0000 0.0000 51985.7027 -109503.2247 298.7625 -161488.9273 -109140.4061 299.5505 -33.5132 -4.5088 760180.5234 3.7161 3.6875 PRESSURE: 1802000 -137.735 312.003 14.2203 312.002 -299.495 -208.536 14.2206 -208.536 8.80981 GPRESSURE: 1802000 -73.45 135.906 -64.5751 204.346 -295.299 -152.635 47.5632 -187.883 12.4645 PRESSAVG: 1802000 16.6466 55.4604 3.08749 55.4605 20.4584 16.2174 3.08747 16.2174 -2.69814 GPRESSAVG: 1802000 16.1942 56.6808 2.41205 51.8723 21.6429 15.2032 4.20284 18.5548 -3.57254 TIMING: 1802000 CPU: 5745.8, 0.00322357/step Wall: 5745.8, 0.00322357/step, 2.86361 hours remaining, 241.484375 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: 1802000 4014.3303 20558.4662 14361.2615 263.2317 -202884.0493 2256.3271 0.0000 0.0000 51935.1936 -109495.2389 298.4723 -161430.4326 -109136.0750 299.1381 -142.8068 -118.7615 760488.9076 11.4689 11.4215 PRESSURE: 1802200 -146.24 -31.7782 -74.0607 -31.7785 -77.6222 -80.1491 -74.0616 -80.15 -75.1479 GPRESSURE: 1802200 -200.311 -3.42719 -75.2105 -156.088 47.5898 -59.4104 -147.7 -0.473336 -46.1839 PRESSAVG: 1802200 17.5632 14.0415 -9.61297 14.0414 -53.6368 -3.42693 -9.61303 -3.42697 1.34935 GPRESSAVG: 1802200 15.667 13.4467 -8.9895 15.2682 -52.5146 -2.62587 -10.3779 -6.27376 1.96703 TIMING: 1802200 CPU: 5746.45, 0.00320937/step Wall: 5746.45, 0.00320937/step, 2.85081 hours remaining, 241.484375 MB of memory in use. ENERGY: 1802200 3988.2643 20552.3308 14463.8766 217.2720 -203180.5585 2439.7166 0.0000 0.0000 51881.8071 -109637.2912 298.1655 -161519.0982 -109277.1724 298.7545 -99.6701 -66.3017 760920.1909 -11.5747 -11.6269 PRESSURE: 1802400 45.9364 -315.884 -132.492 -315.884 112.682 -0.929035 -132.492 -0.928716 -237.997 GPRESSURE: 1802400 56.125 -150.786 -222.315 -279.544 149.787 -26.5025 -89.1386 -99.538 -175.186 PRESSAVG: 1802400 36.3464 -77.8309 -34.4585 -77.8309 -4.06537 -51.3456 -34.4586 -51.3455 -2.51285 GPRESSAVG: 1802400 38.6626 -76.4276 -34.7004 -77.4807 -6.11176 -52.1709 -34.1084 -49.7888 -2.77895 TIMING: 1802400 CPU: 5747.09, 0.00320298/step Wall: 5747.09, 0.00320298/step, 2.84496 hours remaining, 241.484375 MB of memory in use. ENERGY: 1802400 3876.1270 20440.4719 14484.3363 241.2325 -203478.3848 2737.4566 0.0000 0.0000 51985.3268 -109713.4337 298.7604 -161698.7606 -109347.6689 299.1588 -26.4596 10.2419 761321.6135 9.9227 9.9240 PRESSURE: 1802600 493.402 77.0561 -74.9308 77.0554 -37.4819 138.013 -74.9308 138.012 220.776 GPRESSURE: 1802600 493.16 122.494 -137.229 187.51 73.3819 140.636 -91.7967 197.446 203.259 PRESSAVG: 1802600 -9.49284 -19.8117 -11.1402 -19.8118 -2.38485 -2.93533 -11.1402 -2.93538 6.21712 GPRESSAVG: 1802600 -9.77124 -20.5137 -10.1788 -18.9733 -1.62481 -4.656 -11.0912 -1.49059 6.05993 TIMING: 1802600 CPU: 5747.73, 0.00321017/step Wall: 5747.73, 0.00321017/step, 2.85116 hours remaining, 241.484375 MB of memory in use. ENERGY: 1802600 3976.6737 20526.5120 14434.7365 244.1160 -203567.3729 2581.0674 0.0000 0.0000 52067.9410 -109736.3263 299.2352 -161804.2673 -109366.7864 299.2319 225.5653 256.6002 760266.6766 -1.8869 -1.7787 PRESSURE: 1802800 -152.228 -112.954 -138.452 -112.955 51.2203 -109.996 -138.453 -109.996 273.145 GPRESSURE: 1802800 -17.7469 -82.1136 -159.231 -58.6106 71.8265 -39.9205 -170.404 -165.388 188.651 PRESSAVG: 1802800 17.0577 -39.4484 13.507 -39.4485 -54.1819 51.5321 13.507 51.5321 0.96564 GPRESSAVG: 1802800 18.4193 -39.0214 12.5316 -39.4384 -55.2011 54.87 12.3085 48.1717 0.438052 TIMING: 1802800 CPU: 5748.38, 0.00323356/step Wall: 5748.38, 0.00323356/step, 2.87176 hours remaining, 241.484375 MB of memory in use. ENERGY: 1802800 3979.8665 20416.8075 14469.7472 227.7477 -203634.5774 2638.7406 0.0000 0.0000 52096.8653 -109804.8026 299.4014 -161901.6679 -109436.6760 299.0717 57.3791 80.9104 759562.6159 -12.0528 -12.1146 PRESSURE: 1803000 74.6395 56.1116 147.975 56.1114 -76.6957 312.222 147.975 312.222 142.85 GPRESSURE: 1803000 96.0602 122.747 128.449 99.8187 -48.1543 240.393 63.4484 416.273 168.846 PRESSAVG: 1803000 1.45577 -19.3144 6.61791 -19.3145 -18.6813 32.1147 6.6179 32.1147 9.80162 GPRESSAVG: 1803000 2.02665 -18.373 5.87972 -19.3317 -18.4587 30.3883 7.22259 36.4557 8.92119 TIMING: 1803000 CPU: 5749.03, 0.00325046/step Wall: 5749.03, 0.00325046/step, 2.88659 hours remaining, 241.484375 MB of memory in use. ENERGY: 1803000 4043.3365 20297.3633 14504.2846 242.4417 -203552.4868 2566.6083 0.0000 0.0000 52144.1958 -109754.2566 299.6734 -161898.4524 -109376.3800 299.0619 46.9313 72.2507 759500.1248 -2.4746 -2.5036 PRESSURE: 1803200 -239.744 61.4341 238.101 61.4341 -320.213 -121.307 238.101 -121.306 -173.893 GPRESSURE: 1803200 -221.493 62.3965 185.877 88.9584 -266.867 -36.2611 283.554 -174.427 -167.206 PRESSAVG: 1803200 40.2379 -74.586 5.75168 -74.5859 -10.9477 -10.2097 5.75172 -10.2098 -16.5876 GPRESSAVG: 1803200 38.6531 -76.808 6.01149 -73.3869 -9.61659 -9.1837 7.91688 -12.9233 -15.7497 TIMING: 1803200 CPU: 5749.67, 0.00320232/step Wall: 5749.67, 0.00320232/step, 2.84366 hours remaining, 241.484375 MB of memory in use. ENERGY: 1803200 3993.0107 20636.9538 14455.8782 239.5219 -203239.9941 2335.6986 0.0000 0.0000 51956.9691 -109621.9618 298.5974 -161578.9309 -109259.5034 299.0342 -244.6164 -218.5221 759750.2184 4.2342 4.4289 PRESSURE: 1803400 91.252 -23.907 5.54668 -23.9081 -131.435 -314.261 5.54633 -314.261 -110.662 GPRESSURE: 1803400 246.473 68.3933 98.8687 42.027 -276.319 -368.984 -99.5104 -187.619 -36.565 PRESSAVG: 1803400 10.4296 -72.566 20.4296 -72.566 6.57665 -18.6232 20.4297 -18.6233 17.6219 GPRESSAVG: 1803400 11.5031 -73.1352 22.5401 -72.8925 4.82088 -18.8866 18.6118 -16.9825 18.2772 TIMING: 1803400 CPU: 5750.31, 0.00319642/step Wall: 5750.31, 0.00319642/step, 2.83824 hours remaining, 241.484375 MB of memory in use. ENERGY: 1803400 3991.4382 20562.5057 14433.7225 249.3717 -203398.4765 2459.7797 0.0000 0.0000 51982.0648 -109719.5939 298.7416 -161701.6587 -109351.5621 299.2680 -50.2818 -22.1371 760850.5312 11.5427 11.5337 PRESSURE: 1803600 -362.788 64.0146 67.7259 64.0153 75.6427 29.1849 67.7255 29.1849 131.228 GPRESSURE: 1803600 -305.886 115.547 5.2935 -43.825 195.179 -21.4607 145.53 -35.3069 37.1125 PRESSAVG: 1803600 5.30407 -15.1331 -30.3348 -15.1331 -50.3711 22.1573 -30.3348 22.1573 -1.64929 GPRESSAVG: 1803600 4.14765 -13.6259 -31.0661 -18.296 -49.1226 21.0469 -29.0546 20.2267 -2.06875 TIMING: 1803600 CPU: 5750.95, 0.00320663/step Wall: 5750.95, 0.00320663/step, 2.84714 hours remaining, 241.484375 MB of memory in use. ENERGY: 1803600 3953.1814 20567.3410 14501.1195 247.0855 -203004.5286 2028.1897 0.0000 0.0000 51849.3235 -109858.2882 297.9788 -161707.6116 -109483.9090 298.8745 -51.9724 -24.5315 758183.2004 -15.5721 -15.6812 PRESSURE: 1803800 -190.175 -268.876 -57.8464 -268.876 -157.264 246.013 -57.8459 246.013 -115.246 GPRESSURE: 1803800 -130.587 -232.383 -111.07 -123.941 -136.792 304.896 -31.5214 275.855 -116.312 PRESSAVG: 1803800 22.2423 20.4376 -6.8362 20.4376 -11.6495 12.0393 -6.83628 12.0393 1.67454 GPRESSAVG: 1803800 22.4652 19.8293 -6.92602 24.5327 -10.7474 12.2401 -9.94923 11.6854 0.997217 TIMING: 1803800 CPU: 5751.59, 0.00322422/step Wall: 5751.59, 0.00322422/step, 2.86257 hours remaining, 241.484375 MB of memory in use. ENERGY: 1803800 3938.2907 20604.1105 14457.1792 245.0481 -203540.8138 2719.0234 0.0000 0.0000 51783.0912 -109794.0707 297.5981 -161577.1618 -109433.3662 298.8014 -154.2282 -127.8969 760440.4943 4.0891 4.2383 PRESSURE: 1804000 -407.907 156.675 444.699 156.674 4.01591 -130.325 444.699 -130.326 -376.744 GPRESSURE: 1804000 -380.821 26.7745 422.689 231.983 25.0013 -243.249 507.092 -183.824 -342.956 PRESSAVG: 1804000 31.7669 37.8547 15.1181 37.8547 -56.3088 69.9879 15.1181 69.9879 6.04736 GPRESSAVG: 1804000 32.5907 38.5515 14.805 38.6144 -58.001 68.6095 17.0382 71.2194 6.44972 TIMING: 1804000 CPU: 5752.24, 0.0032244/step Wall: 5752.24, 0.0032244/step, 2.86255 hours remaining, 241.484375 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: 1804000 3994.1806 20461.9326 14452.9957 280.2203 -203383.3749 2334.2600 0.0000 0.0000 51978.9652 -109880.8205 298.7238 -161859.7857 -109521.9709 298.3639 -260.2117 -232.9250 760403.6160 -6.1649 -6.3202 PRESSURE: 1804200 103.444 114.695 -193.53 114.696 25.7699 -282.105 -193.53 -282.105 272.227 GPRESSURE: 1804200 159.675 49.6705 -258.307 197.71 93.3881 -271.473 -31.8119 -321.092 241.596 PRESSAVG: 1804200 -12.7393 -10.3441 38.3589 -10.3441 7.22353 8.88232 38.3588 8.88227 -10.3194 GPRESSAVG: 1804200 -12.7095 -10.4611 36.6583 -13.7638 7.2884 7.98985 39.6747 9.82466 -10.4396 TIMING: 1804200 CPU: 5752.89, 0.00324765/step Wall: 5752.89, 0.00324765/step, 2.88301 hours remaining, 241.484375 MB of memory in use. ENERGY: 1804200 4032.7283 20323.3531 14513.4894 260.6766 -203914.1155 2911.6699 0.0000 0.0000 52050.0046 -109822.1936 299.1321 -161872.1982 -109453.9780 298.6696 133.8137 164.8865 760323.9843 -5.2784 -5.2869 LDB: ============= START OF LOAD BALANCING ============== 5765.34 LDB: ============== END OF LOAD BALANCING =============== 5765.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5765.35 LDB: ============= START OF LOAD BALANCING ============== 5765.67 LDB: Largest compute 7071 load 0.039395 is 20.2% of average load 0.194970 LDB: Average compute 0.004422 is 2.3% of average load 0.194970 LDB: TIME 5765.67 LOAD: AVG 0.19497 MAX 0.215597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.125 MB LDB: TIME 5765.67 LOAD: AVG 0.19497 MAX 0.215597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.125 MB LDB: TIME 5765.67 LOAD: AVG 0.19497 MAX 0.215597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.125 MB LDB: ============== END OF LOAD BALANCING =============== 5765.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5765.68 PRESSURE: 1804400 -114.464 -92.6789 54.2711 -92.6776 -226.254 -97.5447 54.2706 -97.5448 -15.0422 GPRESSURE: 1804400 -140.702 -134.081 51.6058 -14.2714 -193.165 -220.713 36.4578 -48.7751 64.8425 PRESSAVG: 1804400 21.5788 -46.0326 11.4518 -46.0326 -7.38823 -41.6099 11.4518 -41.61 -5.90299 GPRESSAVG: 1804400 22.2954 -47.1566 13.6763 -44.0588 -7.7586 -39.9039 9.33097 -43.8071 -6.16114 TIMING: 1804400 CPU: 5753.54, 0.00328331/step Wall: 5753.54, 0.00328331/step, 2.91448 hours remaining, 240.308594 MB of memory in use. ENERGY: 1804400 3987.1886 20490.8749 14472.1449 254.8183 -203483.7674 2367.1319 0.0000 0.0000 51881.5167 -110030.0920 298.1638 -161911.6087 -109671.9062 298.6089 -118.5868 -89.6748 761503.2282 2.7625 2.7919 PRESSURE: 1804600 -355.067 78.8063 220.187 78.8069 154.754 17.3899 220.186 17.3904 -681.057 GPRESSURE: 1804600 -284.45 128.737 170.474 5.63708 129.64 32.494 144.366 51.0669 -629.05 PRESSAVG: 1804600 -24.033 -39.6639 10.8654 -39.664 23.7296 -16.2583 10.8655 -16.2583 0.409093 GPRESSAVG: 1804600 -24.8814 -38.5795 11.4904 -41.9919 24.4693 -17.7451 10.706 -14.8775 0.35017 TIMING: 1804600 CPU: 5754.18, 0.00318379/step Wall: 5754.18, 0.00318379/step, 2.82597 hours remaining, 240.511719 MB of memory in use. ENERGY: 1804600 4059.0991 20351.4672 14458.4752 222.3748 -203291.7281 2320.6340 0.0000 0.0000 51770.4273 -110109.2505 297.5254 -161879.6778 -109748.1719 298.0869 -293.7900 -261.2864 760544.4471 0.0352 -0.0206 PRESSURE: 1804800 -470.006 -90.9896 -89.8091 -90.9893 -241.923 -95.8239 -89.8078 -95.8227 -430.373 GPRESSURE: 1804800 -414.891 10.7695 -62.479 -17.2331 -217.239 -90.485 3.25371 -198.72 -413.686 PRESSAVG: 1804800 -63.1806 -55.2868 4.01731 -55.2867 76.5301 3.03598 4.01737 3.03604 -2.0132 GPRESSAVG: 1804800 -63.4934 -54.7731 2.21668 -52.0824 77.4682 4.9125 4.85778 2.95421 -2.17963 TIMING: 1804800 CPU: 5754.82, 0.00318336/step Wall: 5754.82, 0.00318336/step, 2.82541 hours remaining, 240.511719 MB of memory in use. ENERGY: 1804800 4047.9514 20382.7150 14452.0026 259.2056 -203598.3954 2379.8387 0.0000 0.0000 52208.2113 -109868.4709 300.0413 -162076.6821 -109500.0471 298.3562 -380.7674 -348.6056 761597.4551 3.7788 3.9317 PRESSURE: 1805000 -361.491 38.545 131.262 38.5451 -197.583 -114.94 131.262 -114.94 -148.845 GPRESSURE: 1805000 -264.147 65.5049 50.9276 126.997 -135.458 -165.535 137.663 -69.9856 -190.107 PRESSAVG: 1805000 -14.3103 -91.048 19.7226 -91.048 29.4742 10.2553 19.7226 10.2553 -16.8586 GPRESSAVG: 1805000 -13.5802 -91.7627 19.44 -92.3543 28.8248 8.30019 18.4722 11.406 -17.3401 TIMING: 1805000 CPU: 5755.46, 0.00321057/step Wall: 5755.46, 0.00321057/step, 2.84938 hours remaining, 240.511719 MB of memory in use. ENERGY: 1805000 3935.6608 20323.2971 14481.4304 246.3415 -203522.8816 2362.0204 0.0000 0.0000 52001.3702 -110172.7612 298.8526 -162174.1314 -109802.9350 298.4871 -235.9731 -196.5708 760106.6270 -0.5649 -0.6985 PRESSURE: 1805200 -15.4415 -227.332 -125.548 -227.332 -220.237 -183.614 -125.548 -183.613 86.1171 GPRESSURE: 1805200 -6.24618 -234.391 -124.606 -248.763 -225.06 -88.0366 -84.5338 -121.576 145.265 PRESSAVG: 1805200 5.15509 -64.9117 -1.70309 -64.9117 -24.3409 2.19673 -1.70308 2.19666 2.34254 GPRESSAVG: 1805200 5.05676 -63.828 -1.32845 -67.7063 -25.4905 4.62889 -0.316991 3.42736 3.29824 TIMING: 1805200 CPU: 5756.1, 0.00323037/step Wall: 5756.1, 0.00323037/step, 2.86677 hours remaining, 240.511719 MB of memory in use. ENERGY: 1805200 3925.8320 20543.5528 14479.0162 227.8187 -203434.4117 2373.7683 0.0000 0.0000 51939.1794 -109945.2443 298.4952 -161884.4237 -109588.9087 298.0344 -49.8538 -28.6803 760962.4189 -5.6144 -5.7118 PRESSURE: 1805400 -143.4 48.5907 85.8362 48.5912 -100.894 -87.6383 85.8366 -87.6387 141.372 GPRESSURE: 1805400 -92.1187 118.96 88.8314 17.9561 -104.601 -9.35377 161.238 -87.2105 171.128 PRESSAVG: 1805400 -44.3062 -41.6107 -12.1226 -41.6107 -16.3111 -16.9132 -12.1226 -16.9133 -22.1075 GPRESSAVG: 1805400 -44.9785 -42.4293 -10.0619 -38.9654 -15.655 -18.046 -11.8953 -16.5093 -21.9138 TIMING: 1805400 CPU: 5756.75, 0.00323594/step Wall: 5756.75, 0.00323594/step, 2.87154 hours remaining, 240.511719 MB of memory in use. ENERGY: 1805400 3962.3974 20351.2456 14565.7288 260.7210 -203647.0554 2536.1666 0.0000 0.0000 51973.4686 -109997.3273 298.6922 -161970.7960 -109629.9794 298.1444 -34.3073 -8.5306 762075.0061 -27.5749 -27.5158 PRESSURE: 1805600 -86.8702 -194.394 4.70869 -194.393 3.86334 -33.9552 4.70865 -33.9556 -30.7381 GPRESSURE: 1805600 -23.8138 -207.807 -11.4942 -368.498 58.8032 -58.3066 -30.0896 72.3914 -74.2422 PRESSAVG: 1805600 37.8861 -5.67928 18.7526 -5.67931 -15.0237 -27.2915 18.7526 -27.2916 -5.105 GPRESSAVG: 1805600 37.445 -6.74658 16.2144 -5.85504 -15.5854 -29.1394 18.1339 -26.9337 -4.22336 TIMING: 1805600 CPU: 5757.4, 0.00321517/step Wall: 5757.4, 0.00321517/step, 2.85293 hours remaining, 240.511719 MB of memory in use. ENERGY: 1805600 3946.7943 20413.4243 14516.7095 245.9445 -203510.5673 2568.1824 0.0000 0.0000 51869.9402 -109949.5722 298.0973 -161819.5124 -109587.7728 298.2642 -37.9150 -13.0843 760726.9225 5.9191 5.8788 PRESSURE: 1805800 5.72589 252.26 119.591 252.26 26.7137 192.691 119.592 192.693 -236.954 GPRESSURE: 1805800 27.2077 124.868 159.786 217.648 120.591 85.6161 23.7277 280.973 -264.448 PRESSAVG: 1805800 22.6587 -23.615 11.2132 -23.615 -15.8011 22.3652 11.2132 22.3652 -13.9884 GPRESSAVG: 1805800 23.1753 -22.4903 12.0854 -26.1735 -15.1952 23.1873 12.3669 22.1843 -14.8199 TIMING: 1805800 CPU: 5758.03, 0.00319482/step Wall: 5758.03, 0.00319482/step, 2.83469 hours remaining, 240.769531 MB of memory in use. ENERGY: 1805800 3960.2000 20377.9368 14549.8626 246.4090 -203872.6043 2697.1167 0.0000 0.0000 51827.0421 -110214.0371 297.8507 -162041.0792 -109851.7843 297.9914 -68.1714 -38.8832 761478.7040 -2.3769 -2.2799 PRESSURE: 1806000 232.092 -102.096 -27.0026 -102.097 -123.307 -215.068 -27.0025 -215.067 34.9187 GPRESSURE: 1806000 261.757 -56.9747 -24.4607 -30.3932 -55.7026 -150.217 19.7825 -195.936 36.7952 PRESSAVG: 1806000 4.7877 -41.1056 -41.2539 -41.1056 -5.87417 -6.01635 -41.2539 -6.01632 6.25614 GPRESSAVG: 1806000 5.29506 -42.6668 -40.8447 -37.952 -5.96168 -4.18397 -44.0357 -5.93617 6.65683 TIMING: 1806000 CPU: 5758.67, 0.00318685/step Wall: 5758.67, 0.00318685/step, 2.82744 hours remaining, 240.769531 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: 1806000 3957.5269 20320.6190 14467.5267 234.2657 -203066.6672 2470.8318 0.0000 0.0000 51810.6819 -109805.2152 297.7567 -161615.8971 -109436.2620 297.9529 47.9014 80.9497 761639.3064 1.7232 1.9967 PRESSURE: 1806200 -19.1506 43.6433 -58.1093 43.6437 127.68 256.804 -58.109 256.804 223.645 GPRESSURE: 1806200 113.553 47.0887 -85.6404 -59.9849 118.453 236.477 -5.3226 95.8874 190.244 PRESSAVG: 1806200 25.9133 -42.6493 -66.0392 -42.6493 -27.2572 39.742 -66.0392 39.742 -7.29195 GPRESSAVG: 1806200 24.6294 -41.3089 -65.7888 -42.4472 -26.3079 38.6302 -63.2195 38.0604 -6.33796 TIMING: 1806200 CPU: 5759.31, 0.00321184/step Wall: 5759.31, 0.00321184/step, 2.84944 hours remaining, 240.769531 MB of memory in use. ENERGY: 1806200 3935.4745 20443.8685 14467.4074 261.6030 -203322.6311 2563.9116 0.0000 0.0000 51875.8453 -109774.5210 298.1312 -161650.3662 -109410.4472 298.5649 110.7248 140.7497 760942.6729 -2.8786 -2.6722 PRESSURE: 1806400 -15.473 -83.1051 46.5676 -83.1053 -227.037 -145.428 46.568 -145.429 -513.217 GPRESSURE: 1806400 -82.0223 -97.7145 111.569 -50.0975 -156.978 -138.262 -42.2627 -42.5415 -448.222 PRESSAVG: 1806400 1.26967 -19.0224 23.1661 -19.0224 -9.61749 -35.3918 23.166 -35.3918 9.4373 GPRESSAVG: 1806400 1.48245 -18.7089 21.7285 -19.3674 -9.74294 -35.4057 23.3513 -32.3975 9.40495 TIMING: 1806400 CPU: 5759.95, 0.00317664/step Wall: 5759.95, 0.00317664/step, 2.81803 hours remaining, 240.769531 MB of memory in use. ENERGY: 1806400 3978.8034 20423.7953 14486.2455 250.4921 -203174.4379 2341.8486 0.0000 0.0000 52040.6722 -109652.5809 299.0785 -161693.2531 -109286.2944 298.6171 -251.9090 -229.0740 762556.1997 0.3632 0.3815 PRESSURE: 1806600 -245.979 -76.2618 -56.7504 -76.2623 -230.377 -79.9798 -56.7499 -79.9791 84.2528 GPRESSURE: 1806600 -172.534 -64.6866 -96.5032 -138.356 -146.766 -89.6055 59.6464 -120.481 17.8629 PRESSAVG: 1806600 41.526 -2.98191 63.156 -2.98198 -9.26172 13.0743 63.156 13.0743 10.7519 GPRESSAVG: 1806600 41.4071 -3.67001 63.4292 -3.20742 -8.69053 15.5777 61.7735 9.1846 10.582 TIMING: 1806600 CPU: 5760.59, 0.00321858/step Wall: 5760.59, 0.00321858/step, 2.85506 hours remaining, 240.769531 MB of memory in use. ENERGY: 1806600 4052.9311 20430.7955 14533.7963 237.5619 -203187.7078 2552.5196 0.0000 0.0000 51791.5888 -109588.5145 297.6470 -161380.1033 -109217.5274 298.6196 -130.7012 -100.4790 761786.2131 14.3387 14.4329 PRESSURE: 1806800 327.271 18.7837 51.4147 18.7847 70.7435 -36.0032 51.415 -36.0025 -123.792 GPRESSURE: 1806800 262.396 75.6834 -17.082 110.956 167.605 15.8771 76.3699 0.274754 -67.8874 PRESSAVG: 1806800 -21.9222 -42.4351 69.5221 -42.4351 -1.1551 17.5651 69.5221 17.5652 -0.755848 GPRESSAVG: 1806800 -22.3398 -41.7839 70.0273 -41.0731 -1.65138 15.9883 69.9201 19.2964 0.41644 TIMING: 1806800 CPU: 5761.24, 0.00323297/step Wall: 5761.24, 0.00323297/step, 2.86764 hours remaining, 240.769531 MB of memory in use. ENERGY: 1806800 4041.3452 20284.4063 14496.0037 224.9776 -203722.2078 2930.9945 0.0000 0.0000 52184.4978 -109559.9828 299.9050 -161744.4806 -109193.5215 298.5383 91.4075 120.7048 760383.0324 -7.9444 -7.8582 PRESSURE: 1807000 -9.37891 26.7575 195.653 26.7574 -179.403 285.468 195.653 285.468 -48.4123 GPRESSURE: 1807000 47.7361 -71.706 236.582 -35.5942 -134.712 297.195 134.847 212.908 -55.3351 PRESSAVG: 1807000 91.6884 -16.8166 9.24109 -16.8166 4.27962 46.4119 9.2411 46.4119 -5.23035 GPRESSAVG: 1807000 93.2718 -17.0272 9.76717 -18.675 3.57382 47.1918 9.51888 45.965 -6.3995 TIMING: 1807000 CPU: 5761.88, 0.00321502/step Wall: 5761.88, 0.00321502/step, 2.85155 hours remaining, 240.769531 MB of memory in use. ENERGY: 1807000 3990.2623 20473.9844 14443.4572 245.1673 -203441.3183 2567.4043 0.0000 0.0000 51962.2209 -109758.8218 298.6276 -161721.0427 -109393.4800 298.9233 -79.0646 -47.4369 759301.6806 30.2459 30.1487 PRESSURE: 1807200 -84.2976 -116.487 -20.1348 -116.487 -161.656 70.8559 -20.1349 70.8567 -37.3728 GPRESSURE: 1807200 -149.714 -91.3858 -25.0007 -50.0311 -75.225 108.016 -122.201 58.7418 46.4575 PRESSAVG: 1807200 35.0514 -42.9334 24.414 -42.9334 -11.4585 43.0088 24.414 43.0088 11.1702 GPRESSAVG: 1807200 35.6194 -42.3581 24.3612 -42.3818 -11.4809 43.0234 25.3141 42.23 10.7861 TIMING: 1807200 CPU: 5762.52, 0.00320398/step Wall: 5762.52, 0.00320398/step, 2.84157 hours remaining, 240.769531 MB of memory in use. ENERGY: 1807200 4053.3389 20391.9303 14453.0259 253.2194 -203815.1007 2508.0369 0.0000 0.0000 52451.3995 -109704.1497 301.4389 -162155.5492 -109352.0772 299.1802 -94.4420 -59.4937 760363.3149 11.5877 11.6415 PRESSURE: 1807400 209.567 -57.498 -0.603114 -57.499 -340.539 -31.2485 -0.603671 -31.2478 27.3664 GPRESSURE: 1807400 255.505 -124.431 -148.967 -105.093 -246.161 34.2884 25.8728 8.50975 -26.6357 PRESSAVG: 1807400 69.6261 -47.3402 43.6094 -47.3403 -19.6326 21.3931 43.6093 21.3931 -14.4799 GPRESSAVG: 1807400 68.4028 -48.3541 43.6844 -46.2257 -19.707 22.7064 41.9816 20.5794 -13.9328 TIMING: 1807400 CPU: 5763.16, 0.0031913/step Wall: 5763.16, 0.0031913/step, 2.83015 hours remaining, 240.769531 MB of memory in use. ENERGY: 1807400 3987.8154 20555.6132 14476.8392 243.2825 -203476.8070 2331.5465 0.0000 0.0000 52298.9028 -109582.8074 300.5625 -161881.7102 -109219.0874 299.5679 -34.5355 -5.7638 759996.1028 11.8379 11.5876 PRESSURE: 1807600 81.1854 25.4709 188.303 25.4704 26.5044 -98.8522 188.303 -98.8527 -255.751 GPRESSURE: 1807600 159.311 36.623 170.412 43.8442 57.3459 -93.5398 118.545 28.956 -256.797 PRESSAVG: 1807600 19.5717 9.40005 -59.8299 9.40008 -19.8433 8.55113 -59.8299 8.55112 1.44704 GPRESSAVG: 1807600 19.1428 10.1746 -60.0924 7.39169 -18.4642 6.91775 -60.5156 7.80196 0.439967 TIMING: 1807600 CPU: 5763.8, 0.00319967/step Wall: 5763.8, 0.00319967/step, 2.8374 hours remaining, 240.769531 MB of memory in use. ENERGY: 1807600 4048.4372 20360.1197 14386.2871 269.3769 -203383.3473 2434.7872 0.0000 0.0000 52110.9162 -109773.4230 299.4822 -161884.3391 -109405.2821 299.4911 -49.3539 -13.3800 761480.2906 0.3918 0.3729 PRESSURE: 1807800 -106.724 -116.402 131.975 -116.401 -50.7896 190.872 131.974 190.872 -83.1097 GPRESSURE: 1807800 -38.888 -120.493 148.536 -35.1075 -19.6264 148.084 108.552 171.639 -113.892 PRESSAVG: 1807800 -5.80003 7.64071 4.64773 7.64073 15.5179 -38.2632 4.64776 -38.2632 28.667 GPRESSAVG: 1807800 -4.96148 8.33501 6.01366 9.83192 14.5242 -37.9749 5.46472 -35.4993 28.6387 TIMING: 1807800 CPU: 5764.44, 0.00319202/step Wall: 5764.44, 0.00319202/step, 2.83043 hours remaining, 240.769531 MB of memory in use. ENERGY: 1807800 4024.6416 20541.6474 14477.9922 244.9738 -203886.5104 2710.5907 0.0000 0.0000 52173.4504 -109713.2143 299.8415 -161886.6648 -109358.0838 299.0336 -80.2079 -57.4686 761760.0255 12.7949 12.7338 PRESSURE: 1808000 130.585 69.3579 30.9748 69.3579 115.97 -11.6187 30.9753 -11.6179 -124.134 GPRESSURE: 1808000 135.325 -40.4358 51.3368 100.477 173.41 70.6364 147.378 -56.324 -114.625 PRESSAVG: 1808000 -21.9559 -32.2477 49.8918 -32.2477 -10.0046 -14.1773 49.8918 -14.1774 -11.7796 GPRESSAVG: 1808000 -23.3985 -33.4562 49.3683 -30.995 -9.81047 -15.3919 50.9274 -12.4768 -11.1286 TIMING: 1808000 CPU: 5765.08, 0.00322467/step Wall: 5765.08, 0.00322467/step, 2.8592 hours remaining, 240.769531 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: 1808000 3948.5241 20515.9976 14518.8453 243.7143 -203708.6865 2854.3342 0.0000 0.0000 51936.5509 -109690.7202 298.4801 -161627.2711 -109325.6574 299.0493 40.8070 64.7034 763073.4930 -14.5800 -14.7792 PRESSURE: 1808200 -291.467 -303.748 -8.34385 -303.748 119.318 33.0329 -8.3445 33.0332 158.507 GPRESSURE: 1808200 -179.641 -143.223 93.2997 -261.943 106.119 1.62157 -75.4646 10.8006 146.185 PRESSAVG: 1808200 -10.2318 -16.0789 29.2109 -16.0789 41.4865 -7.78293 29.2109 -7.78293 -17.3671 GPRESSAVG: 1808200 -9.33029 -16.6106 29.2662 -17.393 39.9457 -7.10481 26.7868 -10.0422 -16.748 TIMING: 1808200 CPU: 5765.74, 0.00325332/step Wall: 5765.74, 0.00325332/step, 2.88443 hours remaining, 240.769531 MB of memory in use. ENERGY: 1808200 4052.2346 20444.6959 14410.8738 250.3764 -203703.3260 2790.0991 0.0000 0.0000 51923.3127 -109831.7334 298.4040 -161755.0460 -109475.0437 298.9609 -4.5472 24.2208 760834.0558 4.6292 4.6225 LDB: ============= START OF LOAD BALANCING ============== 5778.19 LDB: ============== END OF LOAD BALANCING =============== 5778.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5778.2 LDB: ============= START OF LOAD BALANCING ============== 5778.52 LDB: Largest compute 7034 load 0.037421 is 19.2% of average load 0.195069 LDB: Average compute 0.004410 is 2.3% of average load 0.195069 LDB: TIME 5778.52 LOAD: AVG 0.195069 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.266 MB LDB: TIME 5778.52 LOAD: AVG 0.195069 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.469 MB LDB: TIME 5778.52 LOAD: AVG 0.195069 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.469 MB LDB: ============== END OF LOAD BALANCING =============== 5778.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5778.53 PRESSURE: 1808400 -44.1805 23.0238 102.22 23.0248 209.964 -68.5186 102.22 -68.5198 -203.708 GPRESSURE: 1808400 38.1886 -43.6686 4.84809 28.0067 190.471 -57.282 85.0683 -135.52 -202.062 PRESSAVG: 1808400 -77.5286 -2.60579 -0.460116 -2.60575 64.2956 8.23364 -0.460105 8.23364 -13.6359 GPRESSAVG: 1808400 -78.1377 -3.71892 -1.52594 -3.07054 65.5283 7.88662 -0.1743 9.27213 -14.8186 TIMING: 1808400 CPU: 5766.39, 0.00327225/step Wall: 5766.39, 0.00327225/step, 2.90103 hours remaining, 239.578125 MB of memory in use. ENERGY: 1808400 4031.9367 20404.9076 14399.8689 245.4840 -203560.0338 2609.2186 0.0000 0.0000 52007.4853 -109861.1328 298.8877 -161868.6180 -109493.8127 298.5459 -12.6414 8.8658 760871.3023 -8.9563 -9.1427 PRESSURE: 1808600 -373.314 -165.426 95.6003 -165.427 -169.311 -59.4636 95.6005 -59.4636 -233.708 GPRESSURE: 1808600 -360.053 -179.642 11.4455 -236.598 -100.276 -89.547 167.305 -9.17359 -207.885 PRESSAVG: 1808600 -50.1321 17.3857 49.5425 17.3857 71.0517 -34.6929 49.5425 -34.6928 1.89084 GPRESSAVG: 1808600 -49.7333 18.0629 50.4891 16.6014 69.6748 -32.3504 49.9428 -36.4228 2.96913 TIMING: 1808600 CPU: 5767.03, 0.00321264/step Wall: 5767.03, 0.00321264/step, 2.848 hours remaining, 239.578125 MB of memory in use. ENERGY: 1808600 4047.2406 20390.5411 14516.9652 248.1045 -203318.6169 2238.8791 0.0000 0.0000 52008.4429 -109868.4435 298.8932 -161876.8864 -109507.5177 298.2283 -258.7779 -222.7383 760834.0051 7.6035 7.6369 PRESSURE: 1808800 376.025 -19.7959 -174.715 -19.7956 32.4525 -174.882 -174.715 -174.881 128.211 GPRESSURE: 1808800 365.697 45.0242 -181.712 85.1579 55.7325 -178.272 -79.3817 -186.748 192.651 PRESSAVG: 1808800 6.20278 -66.2224 -35.8059 -66.2224 25.4975 -7.72429 -35.8059 -7.72427 -7.53768 GPRESSAVG: 1808800 5.80096 -63.026 -35.9685 -66.369 26.7343 -10.8867 -35.3307 -7.51838 -8.29695 TIMING: 1808800 CPU: 5767.68, 0.00323193/step Wall: 5767.68, 0.00323193/step, 2.86492 hours remaining, 239.578125 MB of memory in use. ENERGY: 1808800 3959.3928 20534.6673 14448.4503 253.4252 -203891.2521 2871.6440 0.0000 0.0000 51859.4335 -109964.2390 298.0369 -161823.6726 -109603.1441 298.4076 178.8963 204.6933 760453.0880 8.0542 8.0794 PRESSURE: 1809000 144.99 -253.601 -98.5403 -253.6 -39.3965 -71.4784 -98.5401 -71.478 217.934 GPRESSURE: 1809000 130.034 -189.145 -146.826 -198.819 -61.1039 -46.6253 -76.5464 -121.954 366.647 PRESSAVG: 1809000 37.5859 -14.1439 19.1001 -14.1439 -36.2779 22.5085 19.1001 22.5085 2.26655 GPRESSAVG: 1809000 37.7786 -16.6998 19.0124 -13.2291 -36.0049 24.1493 19.3728 23.2344 1.85877 TIMING: 1809000 CPU: 5768.32, 0.00321669/step Wall: 5768.32, 0.00321669/step, 2.85124 hours remaining, 239.578125 MB of memory in use. ENERGY: 1809000 3991.2493 20493.9880 14502.4544 259.1336 -203548.1718 2583.6047 0.0000 0.0000 52121.3165 -109596.4253 299.5419 -161717.7418 -109232.6666 298.7136 107.8426 145.1922 758604.6525 1.1915 1.2108 PRESSURE: 1809200 140.465 82.4598 169.54 82.4609 112.956 40.8212 169.54 40.8217 318.626 GPRESSURE: 1809200 181.615 67.797 179.085 63.3612 163.006 19.5053 219.388 26.7568 317.063 PRESSAVG: 1809200 57.2382 -21.9717 -48.4594 -21.9717 -50.2171 35.7498 -48.4594 35.7498 -5.14218 GPRESSAVG: 1809200 56.8981 -21.0812 -47.9978 -21.4644 -49.7636 35.5017 -48.3814 36.9856 -5.38774 TIMING: 1809200 CPU: 5768.97, 0.00321809/step Wall: 5768.97, 0.00321809/step, 2.8523 hours remaining, 239.578125 MB of memory in use. ENERGY: 1809200 3969.8716 20583.1793 14428.1784 244.8573 -203525.6244 2789.3204 0.0000 0.0000 51954.9793 -109555.2382 298.5860 -161510.2175 -109193.5145 299.7134 190.6823 220.5613 759693.6349 0.6263 0.5822 PRESSURE: 1809400 126.535 54.5366 -60.7185 54.5362 74.0394 61.4278 -60.7189 61.4282 377.099 GPRESSURE: 1809400 92.7576 33.4081 -31.1851 -90.4327 213.536 65.0758 -196.21 43.7174 363.364 PRESSAVG: 1809400 -45.923 15.6344 -13.8651 15.6345 -41.9905 46.3073 -13.865 46.3073 4.5634 GPRESSAVG: 1809400 -45.7916 14.2549 -14.5191 14.4911 -41.6083 45.0531 -14.5808 46.3692 4.51901 TIMING: 1809400 CPU: 5769.61, 0.00320288/step Wall: 5769.61, 0.00320288/step, 2.83864 hours remaining, 239.578125 MB of memory in use. ENERGY: 1809400 4017.9148 20627.2554 14511.4937 255.9987 -203469.4795 2439.6686 0.0000 0.0000 51999.8601 -109617.2882 298.8439 -161617.1482 -109259.6266 299.3300 192.5579 223.2191 759123.9952 -27.7834 -27.6269 PRESSURE: 1809600 -291.146 272.684 -6.74093 272.684 117.915 -263.704 -6.74063 -263.703 156.483 GPRESSURE: 1809600 -219.387 161.48 -22.2296 154.039 155.681 -164.679 62.3665 -288.265 139.209 PRESSAVG: 1809600 -5.22927 2.71083 -25.3252 2.71082 -39.6227 29.5667 -25.3251 29.5667 11.2111 GPRESSAVG: 1809600 -5.74063 4.6966 -25.4637 2.05276 -39.5888 30.1791 -25.5288 28.7955 11.8554 TIMING: 1809600 CPU: 5770.25, 0.0031982/step Wall: 5770.25, 0.0031982/step, 2.83432 hours remaining, 239.578125 MB of memory in use. ENERGY: 1809600 4010.9402 20557.2606 14518.9601 229.5493 -203333.3971 2489.3549 0.0000 0.0000 51990.5804 -109536.7517 298.7906 -161527.3321 -109166.7641 299.0898 -5.5829 25.1674 759675.5045 -11.2136 -11.1580 PRESSURE: 1809800 2.59438 -129.337 -157.801 -129.337 -39.4929 -420.909 -157.8 -420.909 -478.357 GPRESSURE: 1809800 -13.766 -62.9174 -37.2331 -111.053 15.9094 -474.758 -89.1293 -485.933 -456.694 PRESSAVG: 1809800 1.18647 26.1001 7.30056 26.1001 22.531 -33.5472 7.3005 -33.5472 7.73041 GPRESSAVG: 1809800 1.60636 25.7524 6.62987 26.5513 21.6972 -32.9162 7.1681 -34.1915 8.12385 TIMING: 1809800 CPU: 5770.88, 0.00318884/step Wall: 5770.88, 0.00318884/step, 2.82585 hours remaining, 239.578125 MB of memory in use. ENERGY: 1809800 4002.0238 20535.8522 14526.9657 244.4070 -203344.8780 2290.1443 0.0000 0.0000 52079.1342 -109666.3508 299.2995 -161745.4850 -109305.3860 299.3005 -171.7519 -151.5168 758938.7472 10.4826 10.4758 PRESSURE: 1810000 -72.3533 6.20055 134.576 6.20046 -219.695 191.841 134.576 191.841 -510.553 GPRESSURE: 1810000 -104.664 -30.8395 90.5911 -34.6957 -181.418 238.377 56.8051 258.311 -421.55 PRESSAVG: 1810000 -42.713 38.6553 -26.2365 38.6553 15.1441 -1.38935 -26.2365 -1.38925 -25.8626 GPRESSAVG: 1810000 -42.5021 37.3869 -24.9359 38.768 15.8281 -1.04512 -25.9332 -0.827737 -26.6419 TIMING: 1810000 CPU: 5771.52, 0.00318341/step Wall: 5771.52, 0.00318341/step, 2.82086 hours remaining, 239.578125 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: 1810000 3962.6074 20535.4352 14509.7590 250.5917 -203213.6786 2543.1297 0.0000 0.0000 51920.9652 -109491.1905 298.3905 -161412.1556 -109124.6572 299.1365 -267.5335 -235.8773 761189.7958 -17.8105 -17.7720 PRESSURE: 1810200 -231.772 -118.71 7.97373 -118.71 -192.317 -304.025 7.97373 -304.025 -327.596 GPRESSURE: 1810200 -173.592 -152.864 93.5139 -98.4707 -179.372 -316.171 84.2002 -302.447 -290.401 PRESSAVG: 1810200 -68.5388 1.31603 21.7148 1.31606 79.0531 -10.2873 21.7147 -10.2872 -1.33153 GPRESSAVG: 1810200 -67.9715 1.43398 22.3752 1.857 78.6227 -9.5832 21.4317 -11.1772 -1.25857 TIMING: 1810200 CPU: 5772.15, 0.00317232/step Wall: 5772.15, 0.00317232/step, 2.81085 hours remaining, 239.578125 MB of memory in use. ENERGY: 1810200 3983.0494 20609.5485 14448.2648 248.9482 -202929.4144 2202.2936 0.0000 0.0000 51961.6802 -109475.6297 298.6245 -161437.3099 -109123.4586 299.3327 -250.5618 -214.4548 760026.6853 3.0609 3.1309 PRESSURE: 1810400 212.188 195.685 141.179 195.684 456.324 -91.2204 141.178 -91.2216 -104.75 GPRESSURE: 1810400 217.607 119.305 121.42 107.857 478.633 -220.612 23.8878 -89.5294 -51.889 PRESSAVG: 1810400 1.74906 -11.7379 7.28388 -11.738 -3.59056 -41.5204 7.28393 -41.5204 7.81526 GPRESSAVG: 1810400 2.24877 -10.9583 5.51246 -9.80083 -3.69798 -44.4916 7.56713 -40.8532 7.63288 TIMING: 1810400 CPU: 5772.79, 0.00318101/step Wall: 5772.79, 0.00318101/step, 2.81837 hours remaining, 239.578125 MB of memory in use. ENERGY: 1810400 3955.6927 20648.6330 14490.1265 250.4530 -203650.6174 2773.8252 0.0000 0.0000 52344.7784 -109187.1087 300.8262 -161531.8870 -108817.5189 300.0333 187.9205 214.7838 760913.0982 1.9913 2.0612 PRESSURE: 1810600 379.643 222.464 31.4164 222.463 -11.7011 122.379 31.4166 122.379 -159.568 GPRESSURE: 1810600 332.308 213.245 -69.6967 200.877 93.438 158.091 15.8008 173.482 -141.296 PRESSAVG: 1810600 41.9242 24.7137 -24.064 24.7137 -28.8505 -11.711 -24.064 -11.711 -7.67825 GPRESSAVG: 1810600 39.9969 25.7486 -23.6117 22.6639 -26.7995 -10.4369 -23.8656 -12.0031 -7.44865 TIMING: 1810600 CPU: 5773.43, 0.00317541/step Wall: 5773.43, 0.00317541/step, 2.81323 hours remaining, 239.578125 MB of memory in use. ENERGY: 1810600 3946.1542 20636.6406 14426.8474 237.4251 -203322.9840 2857.0511 0.0000 0.0000 51888.2363 -109330.6294 298.2024 -161218.8657 -108962.1374 299.9836 69.4579 94.8168 761783.2808 1.7985 1.9162 PRESSURE: 1810800 427.826 -75.8781 102.172 -75.8777 -159.207 -37.1677 102.172 -37.1674 52.4641 GPRESSURE: 1810800 430.232 -40.6812 41.2017 -55.2155 -171.842 -77.8541 58.1715 89.3866 146.008 PRESSAVG: 1810800 -5.60379 87.1986 -45.7585 87.1986 -1.07566 -16.3284 -45.7585 -16.3284 -1.77913 GPRESSAVG: 1810800 -4.61559 85.178 -46.0337 87.6472 -2.31436 -15.4355 -46.3694 -17.4504 -1.55976 TIMING: 1810800 CPU: 5774.06, 0.0031878/step Wall: 5774.06, 0.0031878/step, 2.82404 hours remaining, 239.578125 MB of memory in use. ENERGY: 1810800 3961.7945 20488.0409 14447.5860 233.5896 -203492.3601 2574.3411 0.0000 0.0000 52199.9843 -109587.0237 299.9940 -161787.0080 -109215.1380 299.8961 107.0275 134.7993 760941.1819 -2.8195 -2.8299 PRESSURE: 1811000 17.1409 -195.006 -274.554 -195.004 129.329 -131.331 -274.553 -131.332 -229.76 GPRESSURE: 1811000 64.8309 -130.995 -340.963 -161.804 172.427 -129.724 -218.883 -32.1201 -238.88 PRESSAVG: 1811000 87.146 13.2858 -0.318738 13.2859 -70.3236 -40.5432 -0.318812 -40.5433 -0.570639 GPRESSAVG: 1811000 87.8168 12.0791 -0.091665 14.7561 -71.1639 -40.0893 0.721574 -39.5657 -0.309304 TIMING: 1811000 CPU: 5774.7, 0.00318904/step Wall: 5774.7, 0.00318904/step, 2.82496 hours remaining, 239.578125 MB of memory in use. ENERGY: 1811000 4023.3344 20559.1600 14409.0348 247.7219 -203886.8922 3150.7890 0.0000 0.0000 52192.6954 -109304.1567 299.9521 -161496.8521 -108942.6177 299.2964 -27.7634 -0.5408 760006.8283 5.4172 5.4479 PRESSURE: 1811200 155.106 -70.9299 88.1204 -70.93 -20.2076 -58.3252 88.1192 -58.3265 -24.8238 GPRESSURE: 1811200 122.109 30.5393 -80.1955 100.005 3.33076 -69.5103 164.621 -74.0203 79.6909 PRESSAVG: 1811200 41.0569 -6.37602 -60.9873 -6.37599 -55.6229 -33.1577 -60.9873 -33.1576 11.7634 GPRESSAVG: 1811200 41.3813 -3.43003 -60.086 -7.23142 -55.1087 -34.6887 -61.9467 -34.0813 11.5745 TIMING: 1811200 CPU: 5775.34, 0.00320543/step Wall: 5775.34, 0.00320543/step, 2.8393 hours remaining, 239.578125 MB of memory in use. ENERGY: 1811200 3989.5962 20487.3983 14480.6479 236.4757 -203759.7834 2770.2054 0.0000 0.0000 52317.9073 -109477.5527 300.6717 -161795.4601 -109119.0119 299.8330 36.6917 68.3768 760730.7694 -0.9342 -0.7176 PRESSURE: 1811400 219.248 -97.0277 -58.208 -97.027 -319.64 170.137 -58.2084 170.136 -368.342 GPRESSURE: 1811400 237.04 -86.8622 -151.545 -206.15 -246.176 41.9083 -62.6521 168.767 -392 PRESSAVG: 1811400 31.5702 -17.5469 -58.187 -17.5469 -13.9485 40.3734 -58.187 40.3734 -10.3418 GPRESSAVG: 1811400 31.2206 -17.6457 -59.0227 -20.7441 -14.5358 41.6154 -58.2982 41.0585 -9.63409 TIMING: 1811400 CPU: 5775.99, 0.00322507/step Wall: 5775.99, 0.00322507/step, 2.85652 hours remaining, 239.578125 MB of memory in use. ENERGY: 1811400 3973.8646 20464.0498 14495.3828 247.6030 -202843.8087 2231.4139 0.0000 0.0000 51943.6863 -109487.8082 298.5211 -161431.4945 -109125.2434 299.5205 -156.2446 -133.7118 759763.0361 2.4266 2.3502 PRESSURE: 1811600 116.598 -66.6821 -111.766 -66.6812 12.6318 -181.978 -111.766 -181.978 -286.227 GPRESSURE: 1811600 75.2494 27.1203 -111.858 -148.16 52.8582 -164.552 -32.6206 -81.2995 -198.019 PRESSAVG: 1811600 40.813 30.4175 -38.9875 30.4175 -33.4507 -1.03075 -38.9875 -1.03086 15.6228 GPRESSAVG: 1811600 40.2348 30.1444 -38.881 30.5272 -32.5842 -1.37924 -40.2746 -3.43331 15.1054 TIMING: 1811600 CPU: 5776.63, 0.00322353/step Wall: 5776.63, 0.00322353/step, 2.85497 hours remaining, 239.578125 MB of memory in use. ENERGY: 1811600 3906.4118 20758.0760 14481.8234 238.3973 -203336.0836 2665.6179 0.0000 0.0000 52035.1879 -109250.5694 299.0469 -161285.7572 -108891.8889 299.4861 -52.3324 -23.3039 760469.7884 7.6617 7.5853 PRESSURE: 1811800 -89.4907 -80.3626 156.143 -80.362 -194.585 146.654 156.143 146.654 -127.473 GPRESSURE: 1811800 -95.3038 -127.307 154.586 -107.619 -151.562 86.2873 145.209 92.3893 -72.4277 PRESSAVG: 1811800 65.8607 -11.0804 5.59673 -11.0802 -47.9851 56.9979 5.59675 56.9978 6.88978 GPRESSAVG: 1811800 65.9234 -14.5694 7.45204 -7.98223 -47.7241 56.5873 6.36385 58.3969 6.45488 TIMING: 1811800 CPU: 5777.28, 0.0032156/step Wall: 5777.28, 0.0032156/step, 2.84777 hours remaining, 239.578125 MB of memory in use. ENERGY: 1811800 4012.1081 20583.7265 14443.6750 257.3744 -203036.7076 2548.8153 0.0000 0.0000 51936.5517 -109254.4565 298.4801 -161191.0083 -108892.6433 299.6681 -137.1829 -106.4311 762089.6980 8.2551 8.2180 PRESSURE: 1812000 -238.867 -304.179 -50.5007 -304.179 -220.923 -67.9799 -50.5001 -67.9796 -146.587 GPRESSURE: 1812000 -154.694 -176.298 62.2014 -198.408 -182.01 -24.235 -163.047 -85.6751 -179.464 PRESSAVG: 1812000 66.3884 28.358 8.62488 28.3581 -24.0287 17.5821 8.62494 17.5822 -35.6601 GPRESSAVG: 1812000 67.1053 32.1128 8.2761 24.9941 -24.8113 17.3124 9.61085 17.4178 -35.3121 TIMING: 1812000 CPU: 5777.91, 0.00319713/step Wall: 5777.91, 0.00319713/step, 2.83124 hours remaining, 239.578125 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: 1812000 4010.2338 20562.9174 14445.2693 239.0663 -203285.3622 2447.7500 0.0000 0.0000 52244.4755 -109335.6499 300.2497 -161580.1254 -108971.3852 299.7026 -202.1255 -172.0560 760895.1286 2.2332 2.3273 PRESSURE: 1812200 276.923 -197.429 20.1526 -197.43 -1.20936 205.338 20.1518 205.338 7.42992 GPRESSURE: 1812200 232.317 -202.087 36.6168 -173.619 39.2358 178.538 35.5601 301.392 98.6002 PRESSAVG: 1812200 13.9186 -45.0472 16.7262 -45.0472 -18.1845 -39.7085 16.7262 -39.7085 -16.4067 GPRESSAVG: 1812200 15.3236 -47.9381 16.6217 -42.5053 -18.9711 -39.4017 16.3761 -41.6603 -16.6315 TIMING: 1812200 CPU: 5778.56, 0.00320699/step Wall: 5778.56, 0.00320699/step, 2.83979 hours remaining, 239.578125 MB of memory in use. ENERGY: 1812200 3990.4381 20370.8768 14491.2178 244.0950 -203299.0250 2819.3167 0.0000 0.0000 51953.7721 -109429.3085 298.5790 -161383.0806 -109056.6022 299.7360 94.3810 123.3843 760892.6344 -6.8909 -6.7596 LDB: ============= START OF LOAD BALANCING ============== 5791.01 LDB: ============== END OF LOAD BALANCING =============== 5791.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5791.02 LDB: ============= START OF LOAD BALANCING ============== 5791.34 LDB: Largest compute 7034 load 0.037522 is 19.2% of average load 0.195069 LDB: Average compute 0.004421 is 2.3% of average load 0.195069 LDB: TIME 5791.34 LOAD: AVG 0.195069 MAX 0.220709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.383 MB LDB: TIME 5791.34 LOAD: AVG 0.195069 MAX 0.220709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: TIME 5791.34 LOAD: AVG 0.195069 MAX 0.213946 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: ============== END OF LOAD BALANCING =============== 5791.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5791.35 PRESSURE: 1812400 9.25167 -134.055 -65.7786 -134.055 -111.702 -114.553 -65.7789 -114.553 -131.053 GPRESSURE: 1812400 12.3984 -125.186 -84.2831 -105.456 -64.6326 -92.5392 33.4326 -182.991 -108.981 PRESSAVG: 1812400 22.9946 -40.099 -8.42984 -40.0989 -33.1989 8.067 -8.42986 8.06698 9.75351 GPRESSAVG: 1812400 22.3797 -41.3596 -9.18442 -39.0941 -31.7789 8.10667 -8.97053 10.3886 9.62719 TIMING: 1812400 CPU: 5779.21, 0.00327215/step Wall: 5779.21, 0.00327215/step, 2.8973 hours remaining, 241.328125 MB of memory in use. ENERGY: 1812400 3968.3613 20454.3297 14396.5488 238.5642 -203454.5848 2841.2039 0.0000 0.0000 52088.9578 -109466.6191 299.3560 -161555.5769 -109099.4370 298.9351 -77.8346 -53.7384 761649.8780 -0.1503 0.0760 PRESSURE: 1812600 70.1942 8.65549 11.0479 8.65528 -200.549 -42.1268 11.0474 -42.1271 130.195 GPRESSURE: 1812600 50.112 57.399 -50.4462 98.2147 -112.978 -105.6 68.6836 36.5634 143.504 PRESSAVG: 1812600 27.6432 -17.2201 4.93017 -17.2201 -11.985 14.5706 4.93015 14.5706 -13.8142 GPRESSAVG: 1812600 27.22 -14.2221 4.92036 -17.2402 -11.9243 14.8376 6.33371 15.8903 -14.3394 TIMING: 1812600 CPU: 5779.85, 0.00320473/step Wall: 5779.85, 0.00320473/step, 2.83743 hours remaining, 241.328125 MB of memory in use. ENERGY: 1812600 3972.9612 20515.9932 14398.2701 257.0339 -203525.8053 2619.9424 0.0000 0.0000 52177.9664 -109583.6381 299.8675 -161761.6045 -109213.2961 299.2547 -0.0532 26.8793 760036.8433 0.6147 0.3188 PRESSURE: 1812800 28.393 59.7536 -127.562 59.7532 -58.3153 279.88 -127.564 279.88 -20.6211 GPRESSURE: 1812800 -32.1376 -85.9985 -148.255 91.5416 9.61307 297.805 -82.4897 230.598 64.5396 PRESSAVG: 1812800 3.77688 -45.8127 -53.3466 -45.8127 -24.0318 17.9422 -53.3466 17.9422 -2.57362 GPRESSAVG: 1812800 3.71929 -45.585 -53.347 -47.3724 -23.4877 17.2737 -54.2861 16.1306 -3.33983 TIMING: 1812800 CPU: 5780.49, 0.00318866/step Wall: 5780.49, 0.00318866/step, 2.82303 hours remaining, 241.328125 MB of memory in use. ENERGY: 1812800 4012.9037 20389.3308 14474.3466 230.8732 -203606.3120 2630.9753 0.0000 0.0000 52313.4709 -109554.4115 300.6462 -161867.8824 -109181.7850 299.2667 -16.8478 14.0050 759637.6890 -7.6095 -7.7027 PRESSURE: 1813000 -376.942 -155.376 139.799 -155.376 -267.65 -314.625 139.8 -314.626 -175.897 GPRESSURE: 1813000 -347.003 -56.3032 111.969 -100.301 -194.722 -206.633 -29.7876 -148.506 -163.543 PRESSAVG: 1813000 -54.4676 -23.268 -10.324 -23.268 30.7946 9.00601 -10.324 9.00599 -14.5076 GPRESSAVG: 1813000 -53.7618 -22.9411 -10.7801 -22.372 30.598 8.82748 -12.3906 10.3126 -14.8654 TIMING: 1813000 CPU: 5781.13, 0.00320394/step Wall: 5781.13, 0.00320394/step, 2.83638 hours remaining, 241.328125 MB of memory in use. ENERGY: 1813000 4035.3412 20729.7011 14464.4840 244.7786 -203472.9291 2281.0071 0.0000 0.0000 52504.6139 -109213.0032 301.7447 -161717.6171 -108846.8682 300.1595 -273.4962 -235.0893 761191.0598 -12.7269 -12.6764 PRESSURE: 1813200 16.1615 -98.0404 -45.4251 -98.0405 -119.387 390.96 -45.4246 390.96 -140.979 GPRESSURE: 1813200 73.2085 -90.3835 -31.575 -127.58 -99.4595 316.773 -9.46731 288.488 -127.465 PRESSAVG: 1813200 17.8546 -61.4998 24.0076 -61.4998 -2.41363 13.8038 24.0076 13.8037 -5.18486 GPRESSAVG: 1813200 17.3907 -62.2789 23.6069 -63.694 -2.52358 13.8491 27.9103 13.562 -5.04533 TIMING: 1813200 CPU: 5781.77, 0.00320255/step Wall: 5781.77, 0.00320255/step, 2.83497 hours remaining, 241.328125 MB of memory in use. ENERGY: 1813200 3934.7788 20711.6369 14426.2931 250.0634 -203068.3302 2488.0821 0.0000 0.0000 52190.3091 -109067.1669 299.9384 -161257.4760 -108693.0568 300.4104 -81.4015 -51.2388 760320.9332 3.4187 3.2739 PRESSURE: 1813400 -75.1349 111.352 -121.329 111.352 -232.329 -12.7745 -121.328 -12.7762 -71.0719 GPRESSURE: 1813400 -47.166 128.512 -109.787 81.2376 -162.838 69.6941 -125.868 -41.0509 -100.294 PRESSAVG: 1813400 -44.1011 -4.67371 -36.0389 -4.67369 36.3375 -21.6654 -36.0389 -21.6654 17.5614 GPRESSAVG: 1813400 -43.1111 -4.74971 -34.3456 -3.21038 35.1869 -21.5589 -39.1149 -22.0112 17.627 TIMING: 1813400 CPU: 5782.41, 0.00321751/step Wall: 5782.41, 0.00321751/step, 2.84803 hours remaining, 241.328125 MB of memory in use. ENERGY: 1813400 3919.4531 20718.4037 14480.3117 263.8744 -203168.9453 2512.1412 0.0000 0.0000 52132.9260 -109141.8353 299.6086 -161274.7613 -108782.3051 300.2492 -126.1786 -103.4328 761746.2983 3.2660 3.2343 PRESSURE: 1813600 161.386 17.2326 181.477 17.2331 -103.922 -51.3531 181.477 -51.3527 -166.086 GPRESSURE: 1813600 163.572 -36.6375 177.949 -10.0529 23.9209 -61.3391 47.9881 -45.5237 -191.279 PRESSAVG: 1813600 -19.1866 -32.4665 36.0086 -32.4665 28.9219 27.861 36.0085 27.8611 -0.523653 GPRESSAVG: 1813600 -20.9901 -32.128 34.3716 -32.9573 30.2543 27.5566 37.7306 28.7892 -0.410031 TIMING: 1813600 CPU: 5783.06, 0.00320799/step Wall: 5783.06, 0.00320799/step, 2.83943 hours remaining, 241.328125 MB of memory in use. ENERGY: 1813600 4022.3969 20615.2128 14483.7204 276.8818 -203378.5986 2600.0501 0.0000 0.0000 52215.4464 -109164.8903 300.0829 -161380.3367 -108804.5311 300.2253 -36.2072 -1.2620 760897.7929 3.0705 2.9514 PRESSURE: 1813800 -9.96693 136.673 -161.537 136.674 239.898 -209.684 -161.536 -209.684 69.2952 GPRESSURE: 1813800 87.411 33.8069 -192.115 251.19 191.563 -113.902 -130.397 -38.6891 119.178 PRESSAVG: 1813800 70.2708 -33.9874 11.309 -33.9875 -52.0846 40.7793 11.309 40.7793 -25.3678 GPRESSAVG: 1813800 70.9212 -33.1222 10.9453 -33.7046 -53.1356 41.9484 11.6496 40.272 -25.1988 TIMING: 1813800 CPU: 5783.7, 0.00320988/step Wall: 5783.7, 0.00320988/step, 2.84092 hours remaining, 241.328125 MB of memory in use. ENERGY: 1813800 4015.3350 20518.5599 14348.0549 251.3966 -203218.3671 2533.9856 0.0000 0.0000 52461.1645 -109089.8706 301.4950 -161551.0351 -108714.1484 300.0322 99.7422 132.7171 760013.4016 -2.3939 -2.4711 PRESSURE: 1814000 -245.144 11.5759 55.8992 11.5766 156.858 29.822 55.8993 29.8229 132.799 GPRESSURE: 1814000 -197.187 59.9036 6.166 -97.7143 143.187 61.2139 90.8859 -58.9847 189.455 PRESSAVG: 1814000 74.0258 -75.3147 7.58411 -75.3147 -53.385 2.188 7.58414 2.1879 17.2122 GPRESSAVG: 1814000 74.9305 -73.8466 7.11194 -76.8494 -53.9082 0.87576 6.31622 4.11536 16.5646 TIMING: 1814000 CPU: 5784.34, 0.00319625/step Wall: 5784.34, 0.00319625/step, 2.82868 hours remaining, 241.328125 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: 1814000 4005.8414 20782.8832 14403.0190 242.3060 -203024.6424 2280.3532 0.0000 0.0000 52272.6916 -109037.5479 300.4119 -161310.2395 -108674.0144 300.8376 14.8378 45.1516 759692.1671 12.6177 12.5290 PRESSURE: 1814200 231.441 -234.231 -36.5605 -234.231 77.8877 -71.5544 -36.56 -71.5541 -132.527 GPRESSURE: 1814200 228.466 -112.44 -46.8058 -104.854 116.96 -49.3899 -97.496 -167.556 -96.3063 PRESSAVG: 1814200 7.52097 -34.0969 -4.32214 -34.0969 -65.9432 18.7351 -4.32212 18.735 -26.0249 GPRESSAVG: 1814200 6.95139 -36.0702 -2.48436 -34.1308 -66.8579 19.3729 -2.17224 16.4869 -24.9151 TIMING: 1814200 CPU: 5784.98, 0.00319664/step Wall: 5784.98, 0.00319664/step, 2.82884 hours remaining, 241.328125 MB of memory in use. ENERGY: 1814200 3954.6543 20763.4835 14442.1979 245.1431 -203373.8294 2561.4092 0.0000 0.0000 52235.3711 -109171.5702 300.1974 -161406.9413 -108803.6190 300.0647 58.9339 83.0398 761350.1638 -28.1491 -28.2739 PRESSURE: 1814400 261.151 -119.638 72.5693 -119.638 173.588 -302.677 72.569 -302.677 -94.7592 GPRESSURE: 1814400 211.765 -45.8429 64.003 -69.5632 235.212 -245.42 84.9465 -340.176 -43.3643 PRESSAVG: 1814400 60.9786 -49.0266 -41.0458 -49.0266 -85.1877 14.3725 -41.0458 14.3725 -8.62657 GPRESSAVG: 1814400 61.1325 -47.8136 -41.3496 -47.9447 -84.52 13.9065 -41.3024 16.1644 -8.84584 TIMING: 1814400 CPU: 5785.62, 0.00321783/step Wall: 5785.62, 0.00321783/step, 2.84742 hours remaining, 241.328125 MB of memory in use. ENERGY: 1814400 4045.2584 20716.8785 14507.4812 236.5641 -203240.7857 2513.4505 0.0000 0.0000 52110.3524 -109110.8007 299.4789 -161221.1531 -108736.2813 299.8571 113.3264 134.5375 761470.4277 -10.9452 -10.7444 PRESSURE: 1814600 -295.097 5.02095 25.1077 5.02062 -89.2483 117.666 25.1075 117.665 234.503 GPRESSURE: 1814600 -231.855 53.6774 83.8875 94.6128 -21.8359 39.1697 -56.0898 201.354 197.943 PRESSAVG: 1814600 28.8059 -1.14099 -8.63253 -1.14099 -36.5155 31.0291 -8.63252 31.0291 11.7434 GPRESSAVG: 1814600 29.267 -1.97979 -8.48592 -2.37642 -36.6835 31.2451 -9.51749 29.7436 11.4729 TIMING: 1814600 CPU: 5786.26, 0.00320711/step Wall: 5786.26, 0.00320711/step, 2.83776 hours remaining, 241.328125 MB of memory in use. ENERGY: 1814600 4001.7857 20458.3039 14519.5802 257.9263 -203255.9599 2648.0637 0.0000 0.0000 52254.4618 -109115.8384 300.3071 -161370.3002 -108741.8299 299.8479 -49.9474 -18.5828 763019.2076 1.3446 1.3521 PRESSURE: 1814800 537.589 66.9224 29.578 66.9224 232.357 -6.91117 29.5784 -6.9101 781.169 GPRESSURE: 1814800 571.101 4.06504 66.5989 72.9692 263.096 25.749 49.53 165.195 798.204 PRESSAVG: 1814800 7.92353 26.3703 -9.70057 26.3703 -60.818 50.5219 -9.7006 50.5219 -0.347216 GPRESSAVG: 1814800 6.98795 27.3218 -9.50465 25.3588 -60.6107 50.102 -8.77346 51.3061 -0.0735564 TIMING: 1814800 CPU: 5786.9, 0.00320461/step Wall: 5786.9, 0.00320461/step, 2.83537 hours remaining, 241.328125 MB of memory in use. ENERGY: 1814800 3986.7733 20459.6572 14447.3251 265.4144 -203834.9963 3074.9416 0.0000 0.0000 52463.5332 -109137.3516 301.5086 -161600.8847 -108780.5831 299.9010 517.0382 544.1336 760764.5683 -17.7472 -17.8988 PRESSURE: 1815000 -191.798 -238.303 -80.317 -238.303 214.414 -87.4845 -80.3167 -87.4842 252.657 GPRESSURE: 1815000 42.432 -265.16 -162.85 -301.618 117.152 -65.5424 -64.2473 -176.803 208.367 PRESSAVG: 1815000 -11.6424 -50.7701 -55.8081 -50.77 -6.53276 49.523 -55.8081 49.523 1.97926 GPRESSAVG: 1815000 -9.99623 -55.2814 -56.8196 -49.4265 -7.74616 49.2408 -56.0382 49.6857 1.78921 TIMING: 1815000 CPU: 5787.55, 0.00321797/step Wall: 5787.55, 0.00321797/step, 2.84701 hours remaining, 241.328125 MB of memory in use. ENERGY: 1815000 3948.3355 20539.8767 14448.2780 245.2088 -203306.7562 2873.8628 0.0000 0.0000 52282.1544 -108969.0398 300.4663 -161251.1943 -108601.0141 300.6247 91.7578 122.6503 763656.1348 -5.3986 -5.3177 PRESSURE: 1815200 95.7523 -106.117 -48.2676 -106.117 448.472 43.428 -48.2677 43.4266 487.683 GPRESSURE: 1815200 211.424 -77.3247 24.2377 -2.16579 443.169 99.5323 -108.958 -14.2483 439.329 PRESSAVG: 1815200 34.7118 -1.49951 15.8221 -1.49943 6.30085 45.7194 15.8221 45.7194 9.85343 GPRESSAVG: 1815200 34.9101 3.07108 18.0717 -1.78585 7.66606 45.5008 15.0603 45.8058 7.76316 TIMING: 1815200 CPU: 5788.18, 0.00319124/step Wall: 5788.18, 0.00319124/step, 2.82319 hours remaining, 241.328125 MB of memory in use. ENERGY: 1815200 3902.3476 20719.8759 14521.0556 252.5599 -203285.2321 2703.6134 0.0000 0.0000 52276.8802 -108908.8996 300.4359 -161185.7798 -108549.0627 300.3552 343.9692 364.6408 762112.2149 16.9554 16.7798 PRESSURE: 1815400 250.339 -71.887 33.8769 -71.887 -38.7887 -10.1722 33.878 -10.172 -261.797 GPRESSURE: 1815400 123.703 -129.474 4.48484 20.0979 137.042 -2.94131 -104.917 0.657286 -222.913 PRESSAVG: 1815400 33.1091 -7.58915 -72.638 -7.58922 -12.0653 15.4332 -72.6381 15.4333 -0.0153511 GPRESSAVG: 1815400 30.9826 -8.73071 -74.4263 -4.86203 -11.4751 15.5481 -74.8999 16.2575 2.06029 TIMING: 1815400 CPU: 5788.83, 0.00320918/step Wall: 5788.83, 0.00320918/step, 2.83888 hours remaining, 241.328125 MB of memory in use. ENERGY: 1815400 3973.3780 20707.2615 14424.9019 243.9332 -203222.4439 2688.9604 0.0000 0.0000 52176.5175 -109007.4914 299.8592 -161184.0089 -108646.3544 300.3427 -16.7488 12.6107 763534.0040 7.0095 7.1893 PRESSURE: 1815600 -52.2338 55.1523 -37.653 55.1526 -92.1823 -38.6472 -37.6524 -38.6474 -92.0762 GPRESSURE: 1815600 31.4483 153.475 -63.2695 89.9003 36.5303 17.5848 68.7197 -26.3903 -221.467 PRESSAVG: 1815600 8.55017 -7.35854 19.8798 -7.35853 38.2598 -4.42696 19.8798 -4.42697 12.572 GPRESSAVG: 1815600 10.5817 -7.28367 21.3 -8.26527 36.7767 -3.51029 21.895 -4.41596 12.0875 TIMING: 1815600 CPU: 5789.47, 0.00320972/step Wall: 5789.47, 0.00320971/step, 2.83917 hours remaining, 241.328125 MB of memory in use. ENERGY: 1815600 4054.3504 20495.2789 14508.1080 253.0798 -203350.5272 2692.5996 0.0000 0.0000 52317.4901 -109029.6204 300.6693 -161347.1105 -108662.3604 300.2099 -78.8308 -51.1629 760951.1581 19.7940 19.8153 PRESSURE: 1815800 -99.3283 198.259 -38.688 198.259 -127.785 27.3259 -38.6875 27.3263 -139.894 GPRESSURE: 1815800 -24.9651 228.074 -49.9984 101.876 -163.073 8.34389 22.7514 32.3516 -75.8441 PRESSAVG: 1815800 18.9173 17.0319 -12.4992 17.0319 -16.5364 -16.2941 -12.4992 -16.2941 0.969783 GPRESSAVG: 1815800 17.7613 15.8061 -12.6782 17.0109 -16.3915 -17.355 -13.0184 -15.7508 1.95475 TIMING: 1815800 CPU: 5790.11, 0.00319771/step Wall: 5790.11, 0.00319771/step, 2.82837 hours remaining, 241.328125 MB of memory in use. ENERGY: 1815800 3955.5405 20563.1362 14479.8858 244.5391 -202942.8335 2343.7202 0.0000 0.0000 52376.5964 -108979.4154 301.0090 -161356.0118 -108621.0304 300.4700 -122.3357 -87.9606 761460.5226 1.1169 1.1082 PRESSURE: 1816000 34.0164 7.14024 -165.359 7.14016 -450.4 59.5438 -165.359 59.5432 -274.639 GPRESSURE: 1816000 148.711 30.1905 -144.88 31.0764 -489.668 22.293 -209.154 -80.1465 -242.646 PRESSAVG: 1816000 14.6477 -22.4369 -53.8174 -22.437 -9.87714 -3.04153 -53.8175 -3.04147 -3.5243 GPRESSAVG: 1816000 15.9056 -22.4496 -55.0518 -23.3651 -10.2686 -2.31927 -51.3104 -4.43148 -4.18491 TIMING: 1816000 CPU: 5790.76, 0.00325434/step Wall: 5790.76, 0.00325434/step, 2.87828 hours remaining, 241.328125 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: 1816000 3927.4464 20468.4322 14442.0090 250.9726 -202519.8674 2226.3880 0.0000 0.0000 52180.9076 -109023.7117 299.8844 -161204.6193 -108662.1910 300.2266 -230.3408 -194.5342 762260.5732 0.4154 0.4840 PRESSURE: 1816200 271.509 98.5126 197.177 98.5139 -147.45 -15.4771 197.176 -15.4769 120.524 GPRESSURE: 1816200 326.492 51.4335 204.049 -37.882 -63.8241 23.5027 103.308 -128.685 77.0006 PRESSAVG: 1816200 3.85722 -6.50398 -27.9865 -6.50399 15.9823 -28.0278 -27.9865 -28.0279 24.3741 GPRESSAVG: 1816200 2.86501 -5.15196 -27.4141 -7.70255 17.1653 -28.8322 -30.3397 -29.6198 23.9274 TIMING: 1816200 CPU: 5791.4, 0.00322939/step Wall: 5791.4, 0.00322939/step, 2.85603 hours remaining, 241.328125 MB of memory in use. ENERGY: 1816200 4031.9297 20608.7284 14443.5312 240.8696 -203047.3172 2558.7364 0.0000 0.0000 52223.5443 -108939.9775 300.1294 -161163.5218 -108571.6816 300.2324 81.5275 113.2228 761448.8307 14.7379 14.6526 LDB: ============= START OF LOAD BALANCING ============== 5803.86 LDB: ============== END OF LOAD BALANCING =============== 5803.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5803.87 LDB: ============= START OF LOAD BALANCING ============== 5804.19 LDB: Largest compute 7070 load 0.040067 is 20.6% of average load 0.194914 LDB: Average compute 0.004421 is 2.3% of average load 0.194914 LDB: TIME 5804.19 LOAD: AVG 0.194914 MAX 0.218617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.773 MB LDB: TIME 5804.19 LOAD: AVG 0.194914 MAX 0.218617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.773 MB LDB: TIME 5804.2 LOAD: AVG 0.194914 MAX 0.214332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.773 MB LDB: ============== END OF LOAD BALANCING =============== 5804.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5804.2 PRESSURE: 1816400 -391.689 129.442 19.1133 129.443 32.4735 100.305 19.1129 100.305 373.776 GPRESSURE: 1816400 -186.319 105.591 107.526 67.3497 -38.805 145.065 9.17576 180.751 319.912 PRESSAVG: 1816400 23.7238 15.0404 -2.05317 15.0404 -15.1692 -42.0909 -2.05311 -42.091 -9.38924 GPRESSAVG: 1816400 24.4893 15.6595 -1.98505 15.4203 -16.0727 -41.1978 0.18861 -39.7116 -9.82325 TIMING: 1816400 CPU: 5792.07, 0.00331088/step Wall: 5792.07, 0.00331088/step, 2.92792 hours remaining, 240.550781 MB of memory in use. ENERGY: 1816400 4038.3852 20542.3600 14503.0099 247.9775 -203141.0442 2453.5246 0.0000 0.0000 52187.7433 -109168.0438 299.9237 -161355.7872 -108807.1440 300.1843 4.8535 31.5962 762920.2174 -0.2782 -0.4689 PRESSURE: 1816600 -352.482 -116.123 58.9475 -116.123 -522.299 -136.153 58.9482 -136.152 -142.474 GPRESSURE: 1816600 -261.375 -75.3031 117.063 -41.692 -559.248 -161.076 44.5835 43.2142 -112.023 PRESSAVG: 1816600 15.4502 3.28858 13.7561 3.28856 -26.6388 7.36792 13.7561 7.36794 1.15179 GPRESSAVG: 1816600 14.748 1.5587 13.1604 6.37364 -28.1157 6.87908 12.4476 7.13594 3.75802 TIMING: 1816600 CPU: 5792.71, 0.00322669/step Wall: 5792.71, 0.00322669/step, 2.85329 hours remaining, 240.550781 MB of memory in use. ENERGY: 1816600 4022.8316 20584.4690 14526.8337 248.4336 -202803.7896 2346.5398 0.0000 0.0000 52000.3927 -109074.2892 298.8470 -161074.6819 -108724.7275 300.2601 -339.0847 -310.8819 763075.9536 -3.3456 -3.2032 PRESSURE: 1816800 -133.354 -56.2003 118.537 -56.2001 160.023 63.5478 118.537 63.548 -190.107 GPRESSURE: 1816800 -123.006 -96.6379 207.173 -32.2469 212.477 -59.2771 20.654 137.701 -210.881 PRESSAVG: 1816800 80.7521 -35.1239 -50.6216 -35.1238 -70.6822 3.42923 -50.6216 3.4293 3.75907 GPRESSAVG: 1816800 81.3762 -34.0658 -49.9057 -35.8864 -70.3844 3.86826 -50.3348 2.60972 2.27827 TIMING: 1816800 CPU: 5793.36, 0.00323065/step Wall: 5793.36, 0.00323065/step, 2.85661 hours remaining, 240.550781 MB of memory in use. ENERGY: 1816800 4027.0327 20552.2660 14454.5434 249.1845 -202978.0079 2419.8600 0.0000 0.0000 51990.3129 -109284.8084 298.7890 -161275.1213 -108921.3878 299.8519 -54.4790 -40.4698 760589.9974 4.6097 4.4234 PRESSURE: 1817000 -30.2629 52.5286 -86.3326 52.5283 -132.058 -95.3455 -86.3338 -95.3463 -13.1708 GPRESSURE: 1817000 -30.3141 112.804 3.03163 -5.42028 -29.2603 -41.3554 5.75795 -122.7 -20.4809 PRESSAVG: 1817000 22.3056 20.0773 -0.835936 20.0773 -73.2277 -3.92676 -0.835937 -3.92685 -9.47707 GPRESSAVG: 1817000 20.914 19.7669 -1.46177 18.935 -71.527 -3.67004 0.0632722 -2.55352 -10.013 TIMING: 1817000 CPU: 5794, 0.00320712/step Wall: 5794, 0.00320712/step, 2.83563 hours remaining, 240.550781 MB of memory in use. ENERGY: 1817000 3988.7724 20474.5981 14525.0185 234.3030 -203283.1324 2671.7106 0.0000 0.0000 52081.5877 -109307.1421 299.3136 -161388.7298 -108940.1935 299.6234 -58.4972 -26.6851 761522.7207 -20.1330 -20.2087 PRESSURE: 1817200 -343.198 -134.333 -66.4923 -134.333 100.249 -216.631 -66.4918 -216.632 152.305 GPRESSURE: 1817200 -196.907 -90.0484 -113.522 83.1735 86.681 -158.894 -24.5653 -243.067 133.572 PRESSAVG: 1817200 14.7772 -53.7958 -0.758016 -53.7958 -62.8228 -11.5136 -0.757997 -11.5137 -10.8065 GPRESSAVG: 1817200 15.6599 -53.9839 -0.632005 -51.208 -62.6959 -12.2791 -1.67782 -10.1435 -12.1265 TIMING: 1817200 CPU: 5794.63, 0.00317683/step Wall: 5794.63, 0.00317683/step, 2.80867 hours remaining, 240.550781 MB of memory in use. ENERGY: 1817200 4018.5652 20453.5181 14449.2500 249.3322 -203205.4204 2549.5858 0.0000 0.0000 52107.0075 -109378.1615 299.4597 -161485.1690 -109015.1073 299.7863 -30.2147 7.7822 759679.6193 -19.6174 -19.7208 PRESSURE: 1817400 -104.073 116.057 141.498 116.057 -133.781 13.0477 141.498 13.0466 184.198 GPRESSURE: 1817400 -100.195 32.4325 60.8108 -3.64504 -55.5052 -3.87343 202.324 19.1028 188.383 PRESSAVG: 1817400 76.5158 25.0031 -9.09412 25.0031 -92.6173 -32.8689 -9.09408 -32.8689 -25.8135 GPRESSAVG: 1817400 76.5435 24.4525 -10.7621 23.6464 -94.4366 -31.5627 -5.75623 -35.2984 -23.9258 TIMING: 1817400 CPU: 5795.27, 0.00320042/step Wall: 5795.27, 0.00320042/step, 2.82935 hours remaining, 240.550781 MB of memory in use. ENERGY: 1817400 4013.8582 20446.5554 14466.5866 236.8010 -203439.9717 2691.7756 0.0000 0.0000 52173.6051 -109410.7898 299.8424 -161584.3949 -109049.9042 299.7015 -17.8857 10.8944 760619.6041 -13.9716 -13.9397 PRESSURE: 1817600 48.6511 -3.16867 -23.0786 -3.16912 -40.7243 345.896 -23.0784 345.897 -112.47 GPRESSURE: 1817600 77.5095 37.9149 -82.1373 0.490209 37.5907 336.484 -47.7106 238.316 -140.137 PRESSAVG: 1817600 53.3932 -30.9797 20.389 -30.9796 -56.8528 38.6751 20.389 38.6751 12.9762 GPRESSAVG: 1817600 52.6756 -30.7954 22.1591 -32.476 -55.6814 36.7926 17.6552 39.3738 12.0855 TIMING: 1817600 CPU: 5795.92, 0.00320863/step Wall: 5795.92, 0.00320863/step, 2.83643 hours remaining, 240.550781 MB of memory in use. ENERGY: 1817600 3916.0792 20489.8786 14456.0065 264.7099 -203306.4943 2401.1138 0.0000 0.0000 52374.3803 -109404.3260 300.9963 -161778.7063 -109053.9118 299.5419 -34.8478 -8.3456 760347.0551 3.1722 3.0266 PRESSURE: 1817800 180.093 -99.6154 217.585 -99.6152 -269.614 132.992 217.585 132.992 161.738 GPRESSURE: 1817800 205.955 -56.5474 226.581 -64.9695 -201.801 216.405 158.979 95.3912 143.339 PRESSAVG: 1817800 13.0775 15.7384 -26.1602 15.7383 11.0961 2.23844 -26.1602 2.23847 2.93791 GPRESSAVG: 1817800 13.0608 16.8893 -24.8698 17.8863 11.1347 3.92324 -27.1273 2.04898 2.72084 TIMING: 1817800 CPU: 5796.57, 0.00324772/step Wall: 5796.57, 0.00324772/step, 2.87081 hours remaining, 240.550781 MB of memory in use. ENERGY: 1817800 3993.5106 20574.6680 14490.4748 245.2782 -203252.4248 2532.7912 0.0000 0.0000 52094.5119 -109321.1902 299.3879 -161415.7021 -108967.6170 298.9913 24.0725 49.1643 760092.9662 9.0372 8.9721 PRESSURE: 1818000 135.841 -65.0296 3.40814 -65.0294 153.726 51.742 3.40775 51.7422 230.099 GPRESSURE: 1818000 136.853 -31.719 60.7928 -49.6024 212.755 13.2523 28.0877 109.285 242.382 PRESSAVG: 1818000 -8.9603 -0.250409 4.45086 -0.250458 -16.3497 -33.3117 4.45079 -33.3117 -8.72968 GPRESSAVG: 1818000 -8.89585 -0.907582 3.15171 -0.917443 -17.3382 -33.4662 4.32299 -33.6703 -7.88929 TIMING: 1818000 CPU: 5797.21, 0.00322917/step Wall: 5797.21, 0.00322917/step, 2.85423 hours remaining, 240.550781 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: 1818000 3929.3165 20662.4755 14519.5957 244.7783 -203068.5986 2517.3281 0.0000 0.0000 51868.3993 -109326.7051 298.0884 -161195.1043 -108967.4952 299.4501 173.2219 197.3302 759020.8488 -11.3466 -11.3745 PRESSURE: 1818200 103.67 -198.755 15.8978 -198.755 174.651 191.975 15.8974 191.974 -50.7793 GPRESSURE: 1818200 120.938 -116.644 12.4751 -207.452 132.462 277.339 1.76824 234.905 49.5332 PRESSAVG: 1818200 43.0516 -22.4268 -34.1617 -22.4269 -19.0062 -4.79563 -34.1617 -4.7957 13.9206 GPRESSAVG: 1818200 43.4886 -22.0165 -36.5614 -21.7176 -18.8491 -4.63668 -33.3669 -2.97922 13.0692 TIMING: 1818200 CPU: 5797.85, 0.00319118/step Wall: 5797.85, 0.00319118/step, 2.82047 hours remaining, 240.550781 MB of memory in use. ENERGY: 1818200 3991.0228 20450.7024 14418.6903 257.2534 -203272.3343 2732.7931 0.0000 0.0000 52111.4579 -109310.4143 299.4853 -161421.8722 -108946.6168 299.4924 75.8470 100.9777 761587.1063 12.6553 12.5695 PRESSURE: 1818400 -182.373 -230.906 101.02 -230.905 178.886 95.6784 101.019 95.6783 67.9252 GPRESSURE: 1818400 -149.648 -179.422 169.605 -111.704 180.71 20.7267 142.571 42.2366 116.111 PRESSAVG: 1818400 33.277 28.2183 -2.08677 28.2183 -27.4507 -12.6628 -2.0868 -12.6629 -29.7202 GPRESSAVG: 1818400 32.4273 28.0257 -1.49436 26.8961 -27.2891 -13.567 -1.96331 -13.8744 -29.4876 TIMING: 1818400 CPU: 5798.49, 0.00321402/step Wall: 5798.49, 0.00321402/step, 2.84048 hours remaining, 240.550781 MB of memory in use. ENERGY: 1818400 3992.1991 20591.0879 14418.0916 221.5613 -203066.7356 2535.3738 0.0000 0.0000 51931.9259 -109376.4959 298.4535 -161308.4219 -109012.5063 299.4718 21.4795 49.0577 761485.7656 -7.9646 -8.1164 PRESSURE: 1818600 -141.304 151.448 -35.8572 151.448 -0.139481 -48.9806 -35.8568 -48.9804 -288.159 GPRESSURE: 1818600 -84.8865 120.509 -20.5687 225.023 -30.6011 42.2818 -37.4498 53.785 -240.516 PRESSAVG: 1818600 59.171 -11.2532 15.9786 -11.2532 -64.0944 37.9169 15.9786 37.9169 7.74645 GPRESSAVG: 1818600 59.5133 -11.2769 18.2518 -11.549 -64.4505 39.1918 16.7026 38.3148 7.40894 TIMING: 1818600 CPU: 5799.13, 0.0032013/step Wall: 5799.13, 0.0032013/step, 2.82906 hours remaining, 240.550781 MB of memory in use. ENERGY: 1818600 3925.8544 20573.9994 14440.2260 231.4222 -202613.1824 2097.4900 0.0000 0.0000 51901.9201 -109442.2703 298.2810 -161344.1905 -109085.2458 299.0047 -143.2006 -118.6679 763040.3434 0.9410 0.8239 PRESSURE: 1818800 -66.6721 76.3038 -190.155 76.3035 -82.9312 33.2437 -190.155 33.2429 11.0035 GPRESSURE: 1818800 -84.7715 86.3485 -199.256 85.4724 25.058 30.3943 -84.1258 31.9028 15.7205 PRESSAVG: 1818800 -23.6964 8.49637 57.0841 8.49639 25.9543 -1.80908 57.0841 -1.80909 15.6677 GPRESSAVG: 1818800 -24.0748 7.75767 55.0815 10.4399 26.1863 -2.05246 58.0948 -3.29875 16.0636 TIMING: 1818800 CPU: 5799.78, 0.00322186/step Wall: 5799.78, 0.00322186/step, 2.84705 hours remaining, 240.550781 MB of memory in use. ENERGY: 1818800 3902.5480 20372.5590 14413.3026 239.5402 -203139.1794 2572.2923 0.0000 0.0000 52260.4524 -109378.4849 300.3415 -161638.9373 -109026.6528 299.3138 -46.2000 -14.6643 761731.5084 5.9752 6.0584 PRESSURE: 1819000 -272.431 -106.882 -2.76676 -106.881 82.0306 41.5631 -2.76678 41.5628 -13.1415 GPRESSURE: 1819000 -277.08 -216.235 -37.2015 -75.059 151.089 45.7728 124.961 32.3338 20.9723 PRESSAVG: 1819000 -9.84813 -2.66794 34.1874 -2.66795 20.8458 -32.2059 34.1874 -32.2059 -14.1629 GPRESSAVG: 1819000 -9.40316 -1.97695 35.5345 -4.47336 20.9524 -31.7258 34.5065 -34.323 -14.9528 TIMING: 1819000 CPU: 5800.42, 0.00322265/step Wall: 5800.42, 0.00322265/step, 2.84757 hours remaining, 240.550781 MB of memory in use. ENERGY: 1819000 4021.0652 20373.0079 14448.0781 269.6779 -203012.1005 2505.5500 0.0000 0.0000 52201.3543 -109193.3671 300.0019 -161394.7214 -108834.8820 299.9547 -67.8472 -35.0063 762396.6734 -1.0551 -1.1345 PRESSURE: 1819200 78.6555 -111.831 52.6507 -111.832 30.1992 -214.775 52.6513 -214.775 -209.785 GPRESSURE: 1819200 56.5275 -50.9427 136.128 -158.634 62.3885 -255.133 78.6359 -85.1098 -116.524 PRESSAVG: 1819200 -8.3081 -49.8654 106.374 -49.8655 -1.79571 -34.5814 106.374 -34.5815 27.693 GPRESSAVG: 1819200 -9.00756 -50.2467 106.553 -49.6527 -1.11782 -35.9578 106.654 -29.743 27.7002 TIMING: 1819200 CPU: 5801.06, 0.00319222/step Wall: 5801.06, 0.00319222/step, 2.82051 hours remaining, 240.550781 MB of memory in use. ENERGY: 1819200 4025.0374 20427.0321 14383.1795 260.5160 -202846.2852 2703.3275 0.0000 0.0000 51905.1197 -109142.0729 298.2994 -161047.1926 -108786.0366 299.4672 -33.6434 0.7973 762236.5243 5.8631 5.8583 PRESSURE: 1819400 88.1908 123.33 -148.462 123.33 82.1478 -80.9753 -148.461 -80.9752 204.563 GPRESSURE: 1819400 104.161 158.118 -181.041 -31.4399 31.7836 -65.2711 37.9067 -152.636 315.631 PRESSAVG: 1819400 -20.6076 -25.4631 -36.4242 -25.4631 7.39855 -30.2643 -36.4242 -30.2643 22.009 GPRESSAVG: 1819400 -19.5065 -25.1462 -36.692 -25.422 7.51808 -29.1317 -37.9881 -31.1821 20.7268 TIMING: 1819400 CPU: 5801.7, 0.00319849/step Wall: 5801.7, 0.00319849/step, 2.82587 hours remaining, 240.550781 MB of memory in use. ENERGY: 1819400 4024.4296 20303.9397 14475.1411 235.6002 -202836.8476 2635.5905 0.0000 0.0000 52002.0113 -109160.1350 298.8563 -161162.1464 -108801.1218 299.2020 124.9671 150.5254 761601.3302 2.9333 2.9128 PRESSURE: 1819600 17.1928 -33.9617 22.3952 -33.9609 474.7 36.027 22.3951 36.0271 288.434 GPRESSURE: 1819600 129.836 -89.7146 -18.8548 -89.7485 411.66 51.0033 15.9682 -19.2967 313.835 PRESSAVG: 1819600 10.2392 8.58957 -16.8341 8.58957 32.9004 3.2367 -16.8341 3.23671 8.81922 GPRESSAVG: 1819600 10.5076 7.77148 -15.654 6.81761 31.6107 1.40662 -17.2898 2.62743 9.80149 TIMING: 1819600 CPU: 5802.35, 0.00322471/step Wall: 5802.35, 0.00322471/step, 2.84885 hours remaining, 240.550781 MB of memory in use. ENERGY: 1819600 3970.0272 20351.6261 14388.0359 238.0338 -203032.1996 2681.6883 0.0000 0.0000 51997.9713 -109404.8170 298.8331 -161402.7883 -109040.8518 298.7366 260.1087 285.1102 761058.1933 17.3196 17.3066 PRESSURE: 1819800 265.452 121.637 65.1757 121.637 430.642 121.961 65.1755 121.962 22.4777 GPRESSURE: 1819800 277.768 246.841 176.391 124.035 486.789 77.8337 -34.2617 96.233 40.8346 PRESSAVG: 1819800 -9.31525 -7.28283 -2.60224 -7.28286 7.268 0.000383733 -2.60217 0.000312694 7.1531 GPRESSAVG: 1819800 -9.46262 -5.69238 -1.85798 -4.95644 8.34018 1.23604 -3.13883 -1.89405 6.257 TIMING: 1819800 CPU: 5802.99, 0.00324152/step Wall: 5802.99, 0.00324152/step, 2.86352 hours remaining, 240.550781 MB of memory in use. ENERGY: 1819800 4032.6343 20417.5449 14480.1354 249.3560 -203471.3003 2704.8772 0.0000 0.0000 52174.9766 -109411.7758 299.8503 -161586.7524 -109058.8630 299.0079 239.5239 268.4641 759142.5221 1.7020 1.7115 PRESSURE: 1820000 -235.689 -12.73 159.574 -12.7304 -118.084 30.3783 159.575 30.3785 -200.313 GPRESSURE: 1820000 -173.072 23.1994 173.644 53.8176 -127.574 -6.6241 156.305 1.91259 -184.941 PRESSAVG: 1820000 -31.8418 7.28618 4.69126 7.2862 31.6636 35.5783 4.69132 35.5783 -15.1804 GPRESSAVG: 1820000 -32.511 4.2998 2.13158 7.9917 32.3343 35.145 5.88419 36.3505 -14.9329 TIMING: 1820000 CPU: 5803.64, 0.00321588/step Wall: 5803.64, 0.00321588/step, 2.84069 hours remaining, 240.550781 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: 1820000 4018.3585 20541.4411 14468.2982 235.3503 -202965.0714 2255.4771 0.0000 0.0000 52112.5357 -109333.6105 299.4915 -161446.1462 -108976.2492 299.0537 -184.6951 -161.8627 760948.5432 -5.1195 -5.0365 PRESSURE: 1820200 -26.0286 -61.3908 98.3854 -61.3916 4.94808 83.1182 98.385 83.1189 -76.4161 GPRESSURE: 1820200 -49.2123 -74.8938 11.6802 -66.942 34.2579 80.9992 210.128 208.605 -6.61498 PRESSAVG: 1820200 -69.8312 -18.1171 64.8603 -18.1171 72.515 17.1762 64.8603 17.1762 2.31708 GPRESSAVG: 1820200 -69.6047 -15.2561 66.8664 -18.6761 71.4271 19.3197 65.2627 19.1984 3.09447 TIMING: 1820200 CPU: 5804.28, 0.00322462/step Wall: 5804.28, 0.00322462/step, 2.84823 hours remaining, 240.550781 MB of memory in use. ENERGY: 1820200 4034.5227 20455.6787 14516.1360 254.2631 -203277.6659 2621.1880 0.0000 0.0000 52347.0441 -109048.8332 300.8392 -161395.8774 -108694.4492 299.5178 -32.4989 -7.1898 761672.7295 1.6669 1.6390 LDB: ============= START OF LOAD BALANCING ============== 5816.74 LDB: ============== END OF LOAD BALANCING =============== 5816.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5816.74 LDB: ============= START OF LOAD BALANCING ============== 5817.06 LDB: Largest compute 7024 load 0.036097 is 18.5% of average load 0.195092 LDB: Average compute 0.004405 is 2.3% of average load 0.195092 LDB: TIME 5817.07 LOAD: AVG 0.195092 MAX 0.213561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 5817.07 LOAD: AVG 0.195092 MAX 0.213561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: TIME 5817.07 LOAD: AVG 0.195092 MAX 0.213561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: ============== END OF LOAD BALANCING =============== 5817.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5817.07 PRESSURE: 1820400 -280.097 9.88351 -134.353 9.88395 -535.022 35.4397 -134.354 35.4401 -420.788 GPRESSURE: 1820400 -182.209 -70.0265 -126.117 -6.16053 -576.32 -61.4612 -166.362 135.348 -375.432 PRESSAVG: 1820400 -26.9039 -39.4087 -46.5061 -39.4087 26.9718 21.2552 -46.5061 21.2552 2.94723 GPRESSAVG: 1820400 -26.8264 -40.9949 -47.6288 -38.2607 28.0291 22.2954 -45.9899 19.3685 1.32929 TIMING: 1820400 CPU: 5804.94, 0.00328941/step Wall: 5804.94, 0.0032894/step, 2.90528 hours remaining, 240.605469 MB of memory in use. ENERGY: 1820400 3908.2030 20294.3665 14559.0053 250.9057 -202525.6067 2177.2384 0.0000 0.0000 52019.5890 -109316.2988 298.9573 -161335.8878 -108948.1295 299.3499 -411.9692 -377.9868 763257.6302 1.0050 0.8440 PRESSURE: 1820600 -74.0934 35.3355 94.5216 35.3363 130.437 293.123 94.5217 293.123 -307.915 GPRESSURE: 1820600 -96.3297 85.6679 123.819 23.6928 256.754 331.679 22.0347 182.627 -321.414 PRESSAVG: 1820600 4.35772 -42.9963 20.4866 -42.9964 -3.55435 55.5844 20.4866 55.5845 21.0184 GPRESSAVG: 1820600 4.0824 -39.5457 21.2334 -45.0845 -3.67924 54.0502 18.495 56.3483 21.9243 TIMING: 1820600 CPU: 5805.59, 0.00323092/step Wall: 5805.59, 0.00323092/step, 2.85344 hours remaining, 240.808594 MB of memory in use. ENERGY: 1820600 3985.6282 20386.6775 14575.9651 244.3269 -203228.8240 2740.2537 0.0000 0.0000 52222.1315 -109073.8410 300.1213 -161295.9725 -108715.6531 299.4465 -83.8571 -53.6635 762102.9422 7.2739 7.4425 PRESSURE: 1820800 -75.2039 46.753 147.004 46.7535 -233.217 131.294 147.004 131.295 -116.731 GPRESSURE: 1820800 -82.8693 64.2766 108.359 17.1956 -170.979 267.558 71.9352 5.02393 -71.9302 PRESSAVG: 1820800 -37.7478 4.43904 41.135 4.43899 6.22764 -18.8904 41.1349 -18.8904 1.79378 GPRESSAVG: 1820800 -37.229 2.45082 39.8667 6.93379 6.0465 -18.4603 42.1451 -19.4744 1.59077 TIMING: 1820800 CPU: 5806.23, 0.00320596/step Wall: 5806.23, 0.00320596/step, 2.83122 hours remaining, 240.808594 MB of memory in use. ENERGY: 1820800 4037.3172 20651.2003 14471.3326 245.5360 -202626.3376 2250.2445 0.0000 0.0000 51981.9021 -108988.8050 298.7407 -160970.7071 -108639.5440 299.7625 -141.7170 -108.5930 762348.3280 -9.9088 -9.8639 PRESSURE: 1821000 -167.113 77.878 95.2039 77.8782 151.829 5.91612 95.2043 5.91762 455.505 GPRESSURE: 1821000 -13.8782 5.68187 58.0096 17.3212 157.952 -56.1392 168.749 -69.8535 373.774 PRESSAVG: 1821000 57.8045 -52.419 -0.0293479 -52.4189 -50.9716 0.500276 -0.0293948 0.500302 3.62624 GPRESSAVG: 1821000 57.2145 -53.1301 1.54078 -52.9786 -50.6309 0.236401 -0.684522 0.524015 3.56574 TIMING: 1821000 CPU: 5806.87, 0.00320999/step Wall: 5806.87, 0.00320999/step, 2.8346 hours remaining, 240.808594 MB of memory in use. ENERGY: 1821000 3947.5282 20619.4546 14498.9039 243.3075 -203057.6209 2606.1196 0.0000 0.0000 51934.1898 -109208.1174 298.4665 -161142.3072 -108843.0300 299.6304 146.7405 172.6156 760903.8530 3.4864 3.3831 PRESSURE: 1821200 -110.517 -73.6866 -221.975 -73.6854 -299.218 171.571 -221.976 171.57 -363.031 GPRESSURE: 1821200 -101.345 -26.9002 -175.361 -148.312 -271.211 190.781 -125.419 8.35864 -333.767 PRESSAVG: 1821200 -40.5432 -21.2171 23.1844 -21.2171 52.0486 -6.79247 23.1844 -6.79258 6.63901 GPRESSAVG: 1821200 -40.6426 -21.4282 22.5267 -20.2919 51.8109 -8.88951 24.7549 -7.72174 6.85108 TIMING: 1821200 CPU: 5807.51, 0.00320878/step Wall: 5807.51, 0.00320878/step, 2.83336 hours remaining, 240.808594 MB of memory in use. ENERGY: 1821200 3939.8474 20460.1940 14497.9135 267.3114 -202454.9779 2177.0999 0.0000 0.0000 51905.9368 -109206.6749 298.3041 -161112.6117 -108842.4578 299.0562 -257.5888 -235.4408 761043.2924 6.0481 6.0065 PRESSURE: 1821400 -183.622 79.0878 -280.637 79.0872 -278.821 -66.6954 -280.637 -66.6952 -339.094 GPRESSURE: 1821400 -226.276 35.5527 -315.599 28.5267 -277.072 13.53 -240.832 -172.532 -223.686 PRESSAVG: 1821400 23.8372 -4.29684 25.971 -4.29681 -11.6366 -4.6009 25.971 -4.60081 -11.3964 GPRESSAVG: 1821400 22.6331 -4.01732 24.2445 -5.69412 -11.4092 -3.97713 26.9728 -1.23469 -10.6032 TIMING: 1821400 CPU: 5808.15, 0.00317923/step Wall: 5808.15, 0.00317923/step, 2.80708 hours remaining, 240.808594 MB of memory in use. ENERGY: 1821400 3949.8387 20375.0172 14549.0247 260.4812 -202451.8855 2282.5564 0.0000 0.0000 51839.4099 -109195.5574 297.9218 -161034.9674 -108827.0016 299.1861 -267.1792 -242.3444 762284.6382 0.2681 0.2069 PRESSURE: 1821600 5.71157 -112.352 -169.645 -112.352 141.573 20.7755 -169.644 20.7757 385.272 GPRESSURE: 1821600 -36.511 -29.7851 -232.782 -106.645 225.173 -70.326 -41.8669 9.17636 410.927 PRESSAVG: 1821600 46.1042 -7.56648 -37.8807 -7.56651 -23.389 8.20504 -37.8806 8.20499 22.8604 GPRESSAVG: 1821600 46.6486 -6.82673 -36.6062 -7.2958 -23.9778 9.11309 -40.6929 6.54986 22.6723 TIMING: 1821600 CPU: 5808.79, 0.00320491/step Wall: 5808.79, 0.00320491/step, 2.82958 hours remaining, 240.808594 MB of memory in use. ENERGY: 1821600 3966.3106 20297.3979 14575.6264 255.0128 -202720.3836 2520.2966 0.0000 0.0000 52002.5835 -109103.1557 298.8596 -161105.7392 -108741.6160 299.4796 177.5190 199.8632 760871.6927 15.1919 15.1143 PRESSURE: 1821800 100.466 160.726 60.9066 160.725 186.903 321.735 60.9065 321.735 3.88204 GPRESSURE: 1821800 86.2973 16.0173 102.551 199.67 255.05 295.241 96.4599 268.491 42.646 PRESSAVG: 1821800 3.75585 30.9861 24.2621 30.9861 -13.0741 -21.5877 24.262 -21.5876 21.0426 GPRESSAVG: 1821800 3.07122 30.826 23.9264 29.0261 -12.4133 -21.0933 25.6922 -21.817 21.3426 TIMING: 1821800 CPU: 5809.43, 0.003205/step Wall: 5809.43, 0.003205/step, 2.82948 hours remaining, 240.808594 MB of memory in use. ENERGY: 1821800 3967.5041 20180.3240 14497.3152 232.3997 -203205.9454 2637.2857 0.0000 0.0000 52252.0243 -109439.0924 300.2931 -161691.1167 -109069.2757 299.4194 97.0837 127.9977 761347.0804 3.9081 4.0002 PRESSURE: 1822000 19.5587 -23.7362 -171.652 -23.7361 429.982 -41.0631 -171.651 -41.0625 40.3355 GPRESSURE: 1822000 102.108 -164.09 -219.806 -26.3398 506.762 -102.545 -231.932 -91.6956 -25.236 PRESSAVG: 1822000 -34.8634 -42.8069 -11.0181 -42.8069 24.3167 21.5203 -11.0182 21.5203 27.0184 GPRESSAVG: 1822000 -34.5044 -44.4292 -11.2315 -41.0045 23.6959 20.4171 -11.2059 20.6611 27.6359 TIMING: 1822000 CPU: 5810.07, 0.00319253/step Wall: 5810.07, 0.00319253/step, 2.8183 hours remaining, 240.808594 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: 1822000 4018.7464 20554.0408 14541.3108 246.9733 -203416.8679 2652.9540 0.0000 0.0000 52075.9065 -109326.9361 299.2810 -161402.8427 -108966.0791 299.4838 163.2920 194.5447 760234.4117 5.4906 5.6091 PRESSURE: 1822200 -219.841 -23.5673 -31.8915 -23.5671 -279.411 60.4967 -31.8915 60.4963 -153.549 GPRESSURE: 1822200 -170.016 -109.821 -90.3489 -32.7881 -204.541 35.6176 46.241 81.0688 -180.52 PRESSAVG: 1822200 -5.1712 -68.0351 14.1575 -68.0351 19.2544 -3.86516 14.1574 -3.86507 -4.28207 GPRESSAVG: 1822200 -4.74217 -67.0181 13.336 -67.7977 19.4919 -3.76541 13.7326 -3.41238 -4.6569 TIMING: 1822200 CPU: 5810.71, 0.00322156/step Wall: 5810.71, 0.00322156/step, 2.84374 hours remaining, 240.808594 MB of memory in use. ENERGY: 1822200 3931.0393 20544.8039 14500.3583 249.7869 -203348.0239 2245.0493 0.0000 0.0000 52472.7101 -109404.2761 301.5614 -161876.9861 -109034.0704 299.9047 -217.6005 -185.0257 761367.5662 3.2670 3.3643 PRESSURE: 1822400 259.967 -158.966 -24.8006 -158.966 221.514 170.737 -24.7999 170.738 107.255 GPRESSURE: 1822400 384.12 -128.028 -5.37522 1.68889 159.374 97.2076 13.2496 111.11 109.261 PRESSAVG: 1822400 21.575 -39.76 -8.4958 -39.76 -40.9426 -53.1704 -8.49578 -53.1704 -4.05842 GPRESSAVG: 1822400 22.6787 -39.5489 -9.20456 -39.4745 -41.6447 -52.5375 -7.70164 -50.7459 -4.69417 TIMING: 1822400 CPU: 5811.35, 0.00318876/step Wall: 5811.35, 0.00318876/step, 2.81461 hours remaining, 240.808594 MB of memory in use. ENERGY: 1822400 4021.3228 20484.4745 14467.0807 229.2224 -203527.5971 2838.8676 0.0000 0.0000 52026.2351 -109460.3941 298.9955 -161486.6292 -109096.8259 299.1784 196.2455 217.5850 760475.8154 -7.8087 -7.8867 PRESSURE: 1822600 -187.28 109.202 -340.032 109.202 -153.997 231.459 -340.031 231.458 313.336 GPRESSURE: 1822600 -107.219 43.1713 -328.878 87.951 -167.582 240.884 -180.539 237.944 329.321 PRESSAVG: 1822600 -25.5283 -57.8004 63.8959 -57.8004 59.7935 -17.3699 63.8959 -17.3699 -21.0168 GPRESSAVG: 1822600 -25.6283 -57.304 65.9824 -59.1974 60.0464 -17.6465 62.6943 -19.0441 -21.5262 TIMING: 1822600 CPU: 5811.98, 0.00317844/step Wall: 5811.98, 0.00317844/step, 2.80533 hours remaining, 240.808594 MB of memory in use. ENERGY: 1822600 3956.1071 20661.4390 14479.8833 240.0557 -203217.8059 2380.9470 0.0000 0.0000 52057.7608 -109441.6130 299.1767 -161499.3738 -109075.2170 299.2072 -9.3136 18.1733 761327.3402 4.4161 4.2973 PRESSURE: 1822800 382.882 -64.7176 -79.3319 -64.7182 26.6864 28.904 -79.3314 28.9041 12.4591 GPRESSURE: 1822800 341.582 0.374957 -137.368 -70.6915 1.88733 44.2788 -191.699 67.8036 132.784 PRESSAVG: 1822800 -13.5655 -23.4126 37.8393 -23.4126 3.90202 30.5846 37.8393 30.5845 5.75883 GPRESSAVG: 1822800 -13.5208 -23.5187 36.3128 -22.342 2.97181 30.6282 36.3856 32.807 6.9757 TIMING: 1822800 CPU: 5812.62, 0.00318658/step Wall: 5812.62, 0.00318658/step, 2.81233 hours remaining, 240.808594 MB of memory in use. ENERGY: 1822800 3964.9920 20679.8097 14502.1735 240.1159 -203503.8951 2511.7892 0.0000 0.0000 52139.3943 -109465.6204 299.6458 -161605.0147 -109103.9931 299.7751 140.6757 158.7509 759482.4646 -1.3016 -1.1911 PRESSURE: 1823000 230.313 -50.6384 200.83 -50.6391 407.402 40.9763 200.83 40.9761 466.345 GPRESSURE: 1823000 360.583 -74.7665 89.2763 -24.8326 385.339 -39.7743 144.544 78.6218 420.184 PRESSAVG: 1823000 70.6773 -18.964 -17.5802 -18.964 -46.3555 39.0759 -17.5803 39.0759 -0.187625 GPRESSAVG: 1823000 69.9313 -19.2966 -17.1278 -20.1522 -45.937 37.7405 -13.5795 39.9964 0.125206 TIMING: 1823000 CPU: 5813.26, 0.00319741/step Wall: 5813.26, 0.00319741/step, 2.82172 hours remaining, 240.808594 MB of memory in use. ENERGY: 1823000 3963.3727 20511.1508 14517.7698 255.3573 -203309.5285 2716.1248 0.0000 0.0000 51930.4523 -109415.3009 298.4450 -161345.7531 -109061.0545 300.0624 368.0197 388.7021 759959.1929 8.0448 8.0398 PRESSURE: 1823200 -110.956 7.52166 -353.257 7.52138 -251.799 -31.8403 -353.257 -31.8402 -434.091 GPRESSURE: 1823200 -164.216 -48.6549 -408.761 -76.0557 -203.011 14.9482 -153.623 12.6599 -349.688 PRESSAVG: 1823200 10.2621 -50.2585 2.3044 -50.2585 -63.7712 -36.9542 2.30445 -36.9541 2.91905 GPRESSAVG: 1823200 9.48935 -51.5378 3.92725 -48.3816 -62.4686 -35.627 -1.28681 -38.6684 2.14815 TIMING: 1823200 CPU: 5813.9, 0.00321402/step Wall: 5813.9, 0.00321402/step, 2.83619 hours remaining, 240.808594 MB of memory in use. ENERGY: 1823200 4024.8364 20597.0205 14467.3594 254.4469 -203113.2897 2148.4123 0.0000 0.0000 52169.1103 -109452.1039 299.8166 -161621.2143 -109088.2771 299.7157 -265.6154 -238.9715 760860.8886 -16.8634 -16.9437 PRESSURE: 1823400 -40.2869 84.926 -106.615 84.9253 165.906 -136.048 -106.615 -136.049 8.43204 GPRESSURE: 1823400 53.6739 97.2344 -136.282 38.9196 205.69 -107.97 -76.8073 -52.6715 -8.06892 PRESSAVG: 1823400 -41.7618 -40.6278 8.28685 -40.6278 99.3964 -35.0082 8.2869 -35.0082 6.116 GPRESSAVG: 1823400 -41.7439 -40.5892 8.24711 -42.2758 99.2706 -34.9363 9.91585 -33.5507 6.71702 TIMING: 1823400 CPU: 5814.55, 0.00321204/step Wall: 5814.55, 0.00321204/step, 2.83427 hours remaining, 240.808594 MB of memory in use. ENERGY: 1823400 4002.0733 20496.0251 14497.5663 236.2782 -203642.1557 2627.9574 0.0000 0.0000 52164.6824 -109617.5731 299.7911 -161782.2555 -109264.0396 299.3660 44.6838 83.7649 760742.4828 21.2502 21.4146 PRESSURE: 1823600 37.5328 -62.4454 -54.3235 -62.4456 -462.39 79.8192 -54.3234 79.8199 180.14 GPRESSURE: 1823600 77.7715 -122.494 -157.087 -23.1214 -373.705 100.598 -84.8059 -69.8925 146.055 PRESSAVG: 1823600 18.7681 -13.7472 -14.8734 -13.7472 -62.7844 15.3695 -14.8735 15.3696 -11.677 GPRESSAVG: 1823600 19.7991 -12.889 -16.3376 -14.033 -63.0683 15.1447 -15.7063 13.0217 -12.4333 TIMING: 1823600 CPU: 5815.19, 0.00322439/step Wall: 5815.19, 0.00322439/step, 2.84498 hours remaining, 240.808594 MB of memory in use. ENERGY: 1823600 4040.1232 20512.7352 14491.2681 260.4321 -203298.1364 2355.0596 0.0000 0.0000 51966.3190 -109672.1993 298.6511 -161638.5183 -109315.1859 298.8027 -81.5727 -49.9596 761343.8725 -18.5644 -18.5675 PRESSURE: 1823800 -130.367 37.8125 146.311 37.8133 -33.2285 43.2816 146.312 43.2814 84.3531 GPRESSURE: 1823800 -3.11361 146.29 240.209 -93.9224 -51.0584 -5.2304 163.433 113.424 64.6445 PRESSAVG: 1823800 56.0372 -19.9975 -35.2344 -19.9976 -39.6781 -22.279 -35.2344 -22.2791 -28.7838 GPRESSAVG: 1823800 55.3644 -19.6645 -34.3197 -17.9919 -39.9662 -23.449 -34.4383 -23.8789 -28.4459 TIMING: 1823800 CPU: 5815.84, 0.003236/step Wall: 5815.84, 0.003236/step, 2.85505 hours remaining, 240.808594 MB of memory in use. ENERGY: 1823800 3968.4022 20593.6848 14485.3335 247.9355 -202933.5736 2221.8589 0.0000 0.0000 52072.3795 -109343.9790 299.2607 -161416.3585 -108994.5759 299.4293 -26.4142 3.4908 761231.1840 -4.1416 -4.3493 PRESSURE: 1824000 17.928 39.2514 35.4987 39.2514 -26.459 -44.842 35.4992 -44.8425 16.0093 GPRESSURE: 1824000 6.26388 -105.141 81.7581 96.2044 11.7077 -85.0919 11.8897 40.4063 66.2746 PRESSAVG: 1824000 79.003 -3.55766 -36.0763 -3.55766 -34.8419 37.5362 -36.0762 37.5363 -14.9651 GPRESSAVG: 1824000 77.4697 -6.86825 -35.9268 -3.97878 -34.0513 39.7893 -35.9079 40.1461 -13.9853 TIMING: 1824000 CPU: 5816.48, 0.00320155/step Wall: 5816.48, 0.00320155/step, 2.82448 hours remaining, 240.808594 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: 1824000 3963.2524 20567.5410 14449.2944 251.2910 -203372.0271 2557.8777 0.0000 0.0000 52080.5861 -109502.1844 299.3078 -161582.7705 -109137.8337 299.7078 2.4928 28.0821 760683.6939 9.7320 9.8110 PRESSURE: 1824200 163.8 177.16 -84.4864 177.161 -71.7201 56.3142 -84.4856 56.3142 -12.8876 GPRESSURE: 1824200 160.158 146.563 -9.74861 191.221 -36.052 189.955 -8.38866 -19.4518 30.7901 PRESSAVG: 1824200 44.7395 -5.52888 -13.4454 -5.52895 -55.71 49.5201 -13.4455 49.5202 19.1835 GPRESSAVG: 1824200 45.0152 -4.1537 -13.523 -5.8715 -55.7051 49.4946 -14.4148 47.9181 18.8439 TIMING: 1824200 CPU: 5817.12, 0.00320184/step Wall: 5817.12, 0.00320184/step, 2.82455 hours remaining, 240.808594 MB of memory in use. ENERGY: 1824200 3955.7293 20690.0832 14490.2308 255.5866 -203531.7916 2713.9166 0.0000 0.0000 52218.0725 -109208.1725 300.0980 -161426.2450 -108852.6170 299.7374 26.3976 51.6321 760675.9508 2.7377 2.7180 LDB: ============= START OF LOAD BALANCING ============== 5829.57 LDB: ============== END OF LOAD BALANCING =============== 5829.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5829.57 LDB: ============= START OF LOAD BALANCING ============== 5829.89 LDB: Largest compute 7034 load 0.035982 is 18.4% of average load 0.195141 LDB: Average compute 0.004403 is 2.3% of average load 0.195141 LDB: TIME 5829.9 LOAD: AVG 0.195141 MAX 0.215696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.473 MB LDB: TIME 5829.9 LOAD: AVG 0.195141 MAX 0.215696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.477 MB LDB: TIME 5829.9 LOAD: AVG 0.195141 MAX 0.215696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.477 MB LDB: ============== END OF LOAD BALANCING =============== 5829.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5829.9 PRESSURE: 1824400 -126.018 -96.4079 76.7807 -96.4078 19.9684 -126.283 76.7809 -126.284 -2.84978 GPRESSURE: 1824400 -100.832 -50.4772 64.0994 -30.8915 71.4955 -117.486 116.049 -55.1237 6.85093 PRESSAVG: 1824400 31.3248 -35.7008 3.53428 -35.7008 -16.9403 2.04111 3.5343 2.04095 8.11856 GPRESSAVG: 1824400 31.3422 -34.4517 2.18014 -35.0109 -16.0297 2.00696 4.19575 0.563992 8.07298 TIMING: 1824400 CPU: 5817.77, 0.00324113/step Wall: 5817.77, 0.00324113/step, 2.85904 hours remaining, 240.605469 MB of memory in use. ENERGY: 1824400 3938.0245 20635.0086 14442.8192 244.9433 -203308.1637 2628.9813 0.0000 0.0000 52319.6487 -109098.7380 300.6817 -161418.3867 -108730.6422 300.6257 -36.2997 -7.4954 759857.2563 7.5010 7.7951 PRESSURE: 1824600 -30.8017 146.088 -236.665 146.088 -34.5434 99.9102 -236.665 99.9099 3.29248 GPRESSURE: 1824600 4.38023 127.561 -177.496 251.597 -10.3103 93.8853 -248.493 297.54 49.2427 PRESSAVG: 1824600 57.1547 -28.7326 -1.09033 -28.7326 -31.7283 3.99379 -1.09035 3.99378 14.643 GPRESSAVG: 1824600 57.7238 -27.6384 0.107223 -30.308 -32.3501 2.77911 -0.300665 8.08838 14.8223 TIMING: 1824600 CPU: 5818.4, 0.00317972/step Wall: 5818.4, 0.00317972/step, 2.80469 hours remaining, 240.808594 MB of memory in use. ENERGY: 1824600 3985.2830 20622.6473 14477.4425 255.0362 -203251.8136 2637.5783 0.0000 0.0000 52042.6203 -109231.2060 299.0897 -161273.8263 -108872.5847 300.6377 -20.6842 14.4375 761188.3694 13.3565 13.3987 PRESSURE: 1824800 16.9625 -18.0543 269.968 -18.056 -535.697 171.222 269.968 171.223 205.983 GPRESSURE: 1824800 86.0777 -126.183 259.701 -38.1608 -456.005 159.75 240.464 -19.4375 134.121 PRESSAVG: 1824800 44.0209 15.3853 75.4874 15.3853 -70.9241 -16.597 75.4874 -16.597 3.92543 GPRESSAVG: 1824800 43.6001 12.9089 74.7481 16.9221 -70.3623 -14.7156 73.8366 -19.3494 3.82245 TIMING: 1824800 CPU: 5819.04, 0.00319415/step Wall: 5819.04, 0.00319415/step, 2.81724 hours remaining, 240.808594 MB of memory in use. ENERGY: 1824800 3991.5229 20601.7886 14419.1610 229.8195 -202843.6646 2386.9752 0.0000 0.0000 52185.3529 -109029.0445 299.9099 -161214.3974 -108661.7770 299.8276 -104.2507 -78.6022 762652.5057 -7.6593 -7.6466 PRESSURE: 1825000 -49.4166 50.841 139.081 50.8407 67.2013 -115.145 139.08 -115.145 -217.915 GPRESSURE: 1825000 -56.669 37.0048 -13.1644 -11.1294 168.919 -102.107 114.224 -68.3618 -212.606 PRESSAVG: 1825000 16.5899 -63.2223 -29.3032 -63.2224 -2.79931 48.1743 -29.3033 48.1742 -10.5317 GPRESSAVG: 1825000 18.2658 -62.9293 -29.4324 -63.1623 -3.3837 47.4984 -28.8077 49.7896 -11.374 TIMING: 1825000 CPU: 5819.68, 0.00321009/step Wall: 5819.68, 0.00321009/step, 2.83112 hours remaining, 240.808594 MB of memory in use. ENERGY: 1825000 3915.4204 20446.0069 14464.1088 251.4233 -203174.6110 2731.3699 0.0000 0.0000 52436.8786 -108929.4031 301.3555 -161366.2817 -108557.1039 300.4481 -66.7100 -33.4518 761583.9363 1.0863 1.1693 PRESSURE: 1825200 -36.2613 -84.8616 183.177 -84.8612 -48.7532 -164.176 183.177 -164.174 134.156 GPRESSURE: 1825200 37.5768 -60.6541 216.728 -222.988 -4.8084 -68.8667 138.66 -160.013 111.882 PRESSAVG: 1825200 -15.6993 -13.0512 -21.2054 -13.0512 24.235 37.6455 -21.2054 37.6456 -27.223 GPRESSAVG: 1825200 -17.1124 -13.7074 -21.8705 -14.8639 25.1168 36.1557 -19.2111 38.7026 -26.5419 TIMING: 1825200 CPU: 5820.32, 0.00320289/step Wall: 5820.32, 0.00320289/step, 2.8246 hours remaining, 240.808594 MB of memory in use. ENERGY: 1825200 3951.5137 20496.2312 14459.3554 252.2749 -203123.3395 2805.7525 0.0000 0.0000 52166.3473 -108991.8645 299.8007 -161158.2118 -108623.1301 299.9958 16.3805 48.2168 760403.0175 -6.2291 -6.1791 PRESSURE: 1825400 -343.321 7.33279 -243.152 7.33274 68.3081 59.123 -243.153 59.1232 111.336 GPRESSURE: 1825400 -210.303 10.4889 -206.726 10.2945 -9.58516 55.3379 -251.802 2.9103 120.648 PRESSAVG: 1825400 -27.4469 -43.0339 5.98226 -43.0339 -35.365 6.08162 5.98228 6.08165 -13.8569 GPRESSAVG: 1825400 -27.8486 -43.8629 6.80872 -40.4741 -35.856 6.5283 3.94071 3.16968 -12.9532 TIMING: 1825400 CPU: 5820.96, 0.00319869/step Wall: 5820.96, 0.00319869/step, 2.82071 hours remaining, 240.808594 MB of memory in use. ENERGY: 1825400 3912.2300 20642.1317 14475.6854 268.2741 -203048.3067 2557.6082 0.0000 0.0000 52287.9587 -108904.4185 300.4996 -161192.3773 -108533.0138 300.5897 -54.5591 -33.0799 761110.7324 -25.5563 -25.5526 PRESSURE: 1825600 -103.611 101 136.341 101.001 -275.174 158.153 136.342 158.153 -67.9973 GPRESSURE: 1825600 -75.4363 44.122 206.622 125.023 -164.241 95.0533 102.412 8.78979 -125.283 PRESSAVG: 1825600 -4.35039 4.58348 28.3619 4.58349 -20.0865 30.6024 28.3619 30.6024 12.4538 GPRESSAVG: 1825600 -2.29905 6.47279 28.4672 2.44279 -20.6834 30.9227 30.2118 28.5218 11.0179 TIMING: 1825600 CPU: 5821.61, 0.00321652/step Wall: 5821.61, 0.00321652/step, 2.83625 hours remaining, 240.808594 MB of memory in use. ENERGY: 1825600 4009.6178 20388.8898 14437.7237 254.8004 -203044.4059 2507.3228 0.0000 0.0000 52387.9719 -109058.0795 301.0744 -161446.0514 -108689.4730 300.6163 -148.9277 -121.6537 760681.4987 -3.9944 -3.9882 PRESSURE: 1825800 -11.4149 -249.484 -32.7193 -249.484 120.064 2.41346 -32.7194 2.4145 138.64 GPRESSURE: 1825800 -58.0591 -216.805 -112.624 -124.471 200.17 59.9321 8.02829 22.4337 197.054 PRESSAVG: 1825800 22.4706 -26.641 -18.3104 -26.6411 5.18353 -30.1558 -18.3103 -30.1559 -1.52741 GPRESSAVG: 1825800 21.5778 -27.5367 -18.7303 -24.6141 4.37584 -28.6403 -18.0652 -28.0315 0.759774 TIMING: 1825800 CPU: 5822.25, 0.00320879/step Wall: 5822.25, 0.00320879/step, 2.82926 hours remaining, 240.808594 MB of memory in use. ENERGY: 1825800 3992.2618 20676.5289 14507.3317 237.7854 -203078.8477 2439.8240 0.0000 0.0000 52152.9035 -109072.2124 299.7235 -161225.1159 -108715.0965 300.4592 82.4297 113.0551 758814.0846 8.7089 8.9045 PRESSURE: 1826000 49.1943 -59.4175 125.07 -59.4187 290.711 -0.802321 125.07 -0.803744 -227.527 GPRESSURE: 1826000 135.707 -7.20362 153.624 30.3991 329.375 -100.476 49.2123 -7.32575 -250.018 PRESSAVG: 1826000 -39.6885 -22.5823 -20.667 -22.5822 32.3751 15.0395 -20.667 15.0396 -2.48285 GPRESSAVG: 1826000 -40.5989 -21.9347 -20.0203 -23.8958 34.7705 14.1054 -21.8803 13.8674 -3.60608 TIMING: 1826000 CPU: 5822.89, 0.00321187/step Wall: 5822.89, 0.00321187/step, 2.8318 hours remaining, 240.808594 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: 1826000 3930.1651 20451.0586 14461.3676 249.3847 -203032.3440 2381.1131 0.0000 0.0000 52304.8035 -109254.4514 300.5964 -161559.2549 -108873.5631 300.0693 37.4595 71.6879 760555.6999 -3.2654 -3.1448 PRESSURE: 1826200 -45.7773 219.081 -26.5925 219.08 -52.6689 86.0423 -26.5917 86.0425 119.42 GPRESSURE: 1826200 19.7282 219.798 -0.112789 269.579 -21.8937 85.2712 -93.7404 59.6366 117.814 PRESSAVG: 1826200 16.9543 -5.57098 24.7126 -5.57099 -31.5111 25.1644 24.7125 25.1644 23.8797 GPRESSAVG: 1826200 17.9206 -6.52045 25.1564 -4.49555 -32.4594 26.0421 24.5646 25.8715 23.6824 TIMING: 1826200 CPU: 5823.53, 0.00318538/step Wall: 5823.53, 0.00318538/step, 2.80827 hours remaining, 240.808594 MB of memory in use. ENERGY: 1826200 3965.7437 20508.6427 14407.8226 238.4679 -203502.8189 2624.7810 0.0000 0.0000 52315.5732 -109441.7879 300.6583 -161757.3610 -109075.3652 299.5327 6.9911 38.5493 759574.6298 3.1076 3.0479 PRESSURE: 1826400 -12.2722 -173.349 -112.027 -173.349 -147.002 44.7324 -112.027 44.7331 76.8488 GPRESSURE: 1826400 34.4843 -172.039 -40.342 -235.286 -158.872 20.9701 -155.822 27.7175 136.873 PRESSAVG: 1826400 -1.86385 -0.444204 -28.9165 -0.444165 -11.1121 48.8638 -28.9165 48.8638 9.39709 GPRESSAVG: 1826400 -1.81082 -1.24553 -29.6829 -2.24537 -12.1148 48.189 -28.5185 48.0196 10.7526 TIMING: 1826400 CPU: 5824.17, 0.00319939/step Wall: 5824.17, 0.00319939/step, 2.82044 hours remaining, 240.808594 MB of memory in use. ENERGY: 1826400 3993.2779 20491.7677 14436.1346 252.6246 -203119.2774 2538.3204 0.0000 0.0000 51918.6810 -109488.4712 298.3774 -161407.1522 -109119.5567 299.5032 -27.4753 4.1617 761254.8582 -1.1929 -1.0577 PRESSURE: 1826600 395.589 -62.8015 -31.1122 -62.8018 -208.137 -70.1015 -31.1121 -70.1019 113.641 GPRESSURE: 1826600 362.033 -90.3797 15.5184 25.2431 -90.9168 -105.173 -13.1515 -7.27944 137.006 PRESSAVG: 1826600 57.9557 -12.9487 -12.8646 -12.9486 -1.06561 8.28255 -12.8645 8.28266 -19.7143 GPRESSAVG: 1826600 57.1018 -11.3844 -11.3177 -11.1722 -0.242043 7.65168 -13.1376 10.6411 -19.7017 TIMING: 1826600 CPU: 5824.81, 0.00322436/step Wall: 5824.81, 0.00322436/step, 2.84228 hours remaining, 240.808594 MB of memory in use. ENERGY: 1826600 3963.6396 20492.9375 14420.6274 256.0107 -203524.2644 2752.9332 0.0000 0.0000 51950.5735 -109687.5424 298.5607 -161638.1159 -109324.6265 298.8666 100.3644 136.0408 760176.6658 12.3919 12.3860 PRESSURE: 1826800 517.169 126.453 192.581 126.454 311.937 55.5242 192.581 55.5254 205.761 GPRESSURE: 1826800 452.812 119.064 118.269 -10.7234 381.977 34.2578 199.084 -45.2853 283.361 PRESSAVG: 1826800 -55.856 14.7172 32.6571 14.7173 76.5319 34.8327 32.657 34.8327 20.2798 GPRESSAVG: 1826800 -54.8468 14.7346 33.8348 14.0939 76.4959 34.5749 33.2331 33.8247 19.1811 TIMING: 1826800 CPU: 5825.45, 0.0031941/step Wall: 5825.45, 0.0031941/step, 2.81542 hours remaining, 240.808594 MB of memory in use. ENERGY: 1826800 3944.0155 20472.5821 14434.4580 230.6643 -203623.4774 2843.8467 0.0000 0.0000 51879.0122 -109818.8986 298.1494 -161697.9109 -109457.6959 298.8297 344.9556 372.7167 758635.0798 13.6519 13.6101 PRESSURE: 1827000 -166.561 -200.505 -88.6401 -200.505 -175.672 284.14 -88.6402 284.138 -38.3503 GPRESSURE: 1827000 -140.148 -231.958 -58.2757 8.99301 -168.972 284.685 -11.7535 303.705 13.3135 PRESSAVG: 1827000 -4.85015 -4.53474 25.2714 -4.53476 -17.3823 40.6997 25.2714 40.6996 -5.51514 GPRESSAVG: 1827000 -4.76759 -4.14828 23.2024 -3.23739 -17.3946 41.0671 27.1669 39.2589 -5.9407 TIMING: 1827000 CPU: 5826.09, 0.00316775/step Wall: 5826.09, 0.00316775/step, 2.79202 hours remaining, 240.808594 MB of memory in use. ENERGY: 1827000 4031.9063 20373.2022 14474.8012 243.2954 -203181.9132 2365.1152 0.0000 0.0000 51755.5847 -109938.0082 297.4401 -161693.5929 -109589.7700 298.7159 -126.8612 -98.6020 758522.7084 -9.2492 -9.3676 PRESSURE: 1827200 160.204 -178.353 -57.4206 -178.353 -103.403 -69.8628 -57.4213 -69.8638 -62.7508 GPRESSURE: 1827200 200.34 -193.506 -47.85 -142.98 -117.897 -175.594 -70.8451 9.47248 -12.5906 PRESSAVG: 1827200 -88.6489 -11.6279 -55.0147 -11.6279 78.1762 -27.7893 -55.0148 -27.7892 -3.13427 GPRESSAVG: 1827200 -89.5305 -11.3556 -55.3289 -12.3238 78.532 -27.511 -55.5151 -28.7084 -2.8997 TIMING: 1827200 CPU: 5826.73, 0.00319922/step Wall: 5826.73, 0.00319922/step, 2.81958 hours remaining, 240.808594 MB of memory in use. ENERGY: 1827200 3987.3255 20297.8061 14504.6330 243.7702 -203336.9861 2418.7555 0.0000 0.0000 51942.8886 -109941.8072 298.5165 -161884.6958 -109577.0278 298.5336 -1.9832 23.2842 758300.9292 -4.5357 -4.6327 PRESSURE: 1827400 144.462 155.704 126.781 155.704 125.365 117.798 126.782 117.799 -515.802 GPRESSURE: 1827400 158.943 117.919 87.6949 123.974 109.551 74.9204 147.624 162.322 -421.238 PRESSAVG: 1827400 -5.31964 -5.12964 -59.3935 -5.12966 -7.26346 33.385 -59.3935 33.385 13.209 GPRESSAVG: 1827400 -5.23935 -3.87942 -59.6596 -6.33188 -7.57912 33.1787 -60.2961 34.6513 13.2932 TIMING: 1827400 CPU: 5827.37, 0.00321054/step Wall: 5827.37, 0.00321054/step, 2.82937 hours remaining, 240.808594 MB of memory in use. ENERGY: 1827400 4004.9256 20447.4795 14485.8355 221.5309 -203664.0511 2753.5952 0.0000 0.0000 51930.6110 -109820.0734 298.4459 -161750.6844 -109463.0218 298.3258 -81.9919 -50.9146 759772.2536 0.2086 0.1582 PRESSURE: 1827600 35.6989 -68.4595 -237.335 -68.4599 -130.755 20.2382 -237.335 20.2386 -92.6002 GPRESSURE: 1827600 55.0153 -156.949 -222.844 -99.7275 -81.6323 -67.2831 -218.102 28.0624 -89.1145 PRESSAVG: 1827600 9.57282 -35.2003 -12.0731 -35.2003 -38.0546 13.2514 -12.0732 13.2513 -0.5419 GPRESSAVG: 1827600 10.596 -37.5533 -9.88771 -33.7588 -38.5496 13.2413 -15.1351 11.9284 -1.6599 TIMING: 1827600 CPU: 5828.01, 0.00321352/step Wall: 5828.01, 0.00321352/step, 2.83183 hours remaining, 240.808594 MB of memory in use. ENERGY: 1827600 3954.0589 20164.2448 14460.1747 238.9973 -203590.0236 2729.2937 0.0000 0.0000 51925.5767 -110117.6774 298.4170 -162043.2541 -109752.0786 297.6491 -62.5522 -38.5772 760465.9656 -9.6746 -9.8712 PRESSURE: 1827800 -131.483 96.1332 34.699 96.1341 -165.002 -64.865 34.6987 -64.8651 -140.79 GPRESSURE: 1827800 -30.2437 72.2078 25.9855 133.076 -207.764 -10.1388 17.291 40.5369 -116.623 PRESSAVG: 1827800 104.22 -12.511 7.35636 -12.511 -44.1476 17.0081 7.35637 17.0082 7.88457 GPRESSAVG: 1827800 101.602 -11.4911 6.30546 -12.3115 -43.8513 16.5454 8.13959 18.446 9.68889 TIMING: 1827800 CPU: 5828.65, 0.00321665/step Wall: 5828.65, 0.00321665/step, 2.8344 hours remaining, 240.808594 MB of memory in use. ENERGY: 1827800 3884.6743 20371.9365 14485.4233 257.6088 -203629.1840 2592.4156 0.0000 0.0000 52025.3655 -110011.7600 298.9905 -162037.1255 -109655.5467 298.3466 -145.7587 -118.2102 759533.1046 22.6523 22.4800 PRESSURE: 1828000 -216.012 141.78 76.7891 141.78 -348.351 -69.641 76.7891 -69.64 -297.017 GPRESSURE: 1828000 -188.627 177.744 74.6537 50.0439 -253.501 -118.62 62.6633 -20.8803 -332.36 PRESSAVG: 1828000 14.0028 -20.5173 48.9162 -20.5173 -12.3758 25.5792 48.9162 25.5793 6.94607 GPRESSAVG: 1828000 16.7114 -21.6769 48.7703 -20.7025 -12.9572 26.6126 49.6393 25.6929 5.03994 TIMING: 1828000 CPU: 5829.29, 0.00320247/step Wall: 5829.29, 0.00320247/step, 2.82173 hours remaining, 240.808594 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: 1828000 3973.5135 20363.5012 14514.7064 252.3999 -203564.9335 2575.3214 0.0000 0.0000 51895.9468 -109989.5445 298.2467 -161885.4913 -109643.6422 298.1819 -287.1265 -258.1627 760741.2563 2.8577 2.9314 PRESSURE: 1828200 291.276 -101.251 -92.1689 -101.251 -85.7427 -4.14436 -92.1688 -4.14575 -101.075 GPRESSURE: 1828200 251.458 -67.69 -64.3711 -105.535 -46.1675 -64.4997 -78.3294 -97.5656 -29.4055 PRESSAVG: 1828200 38.5561 6.60775 -13.1956 6.60771 -28.5752 -1.47777 -13.1956 -1.4777 -18.2471 GPRESSAVG: 1828200 37.0911 7.47176 -11.8916 6.4319 -27.9912 -1.60971 -13.6678 -2.78223 -17.1612 TIMING: 1828200 CPU: 5829.94, 0.00321726/step Wall: 5829.94, 0.00321726/step, 2.83459 hours remaining, 240.808594 MB of memory in use. ENERGY: 1828200 4073.6901 20415.0512 14414.9723 258.8971 -203196.7684 2495.4542 0.0000 0.0000 51822.8513 -109715.8522 297.8266 -161538.7035 -109355.1510 298.1612 34.8194 58.6284 762540.7858 -2.7554 -2.6871 LDB: ============= START OF LOAD BALANCING ============== 5842.39 LDB: ============== END OF LOAD BALANCING =============== 5842.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.4 LDB: ============= START OF LOAD BALANCING ============== 5842.72 LDB: Largest compute 7034 load 0.038380 is 19.7% of average load 0.195122 LDB: Average compute 0.004416 is 2.3% of average load 0.195122 LDB: TIME 5842.72 LOAD: AVG 0.195122 MAX 0.216181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 5842.72 LOAD: AVG 0.195122 MAX 0.216181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.859 MB LDB: TIME 5842.72 LOAD: AVG 0.195122 MAX 0.216181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.859 MB LDB: ============== END OF LOAD BALANCING =============== 5842.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.73 PRESSURE: 1828400 -34.9979 16.1529 -119.914 16.1538 -413.245 -439.939 -119.914 -439.938 -124.938 GPRESSURE: 1828400 105.966 -10.1419 -85.1479 12.0893 -334.08 -399.884 -28.1279 -413.527 -258.492 PRESSAVG: 1828400 -13.6686 -8.48825 2.12781 -8.48821 -11.5878 -40.0955 2.12787 -40.0955 -24.1683 GPRESSAVG: 1828400 -14.5127 -6.8916 1.21376 -8.18235 -11.0344 -39.8141 3.90466 -39.9585 -23.8991 TIMING: 1828400 CPU: 5830.59, 0.00326628/step Wall: 5830.59, 0.00326628/step, 2.87759 hours remaining, 239.324219 MB of memory in use. ENERGY: 1828400 3975.6204 20509.9794 14518.8701 243.9892 -203313.2067 2559.3961 0.0000 0.0000 51856.6185 -109648.7331 298.0207 -161505.3515 -109292.5236 298.8931 -191.0604 -162.2023 760977.5319 -16.4749 -16.4821 PRESSURE: 1828600 5.49754 -33.7242 92.9763 -33.7245 73.1986 2.84702 92.9757 2.8467 251.098 GPRESSURE: 1828600 27.6777 -51.1433 14.1811 -14.162 68.735 -128.131 123.701 -90.0818 303.956 PRESSAVG: 1828600 31.1477 -7.22202 -36.7366 -7.22207 -1.41451 -33.689 -36.7365 -33.689 -0.119036 GPRESSAVG: 1828600 30.9001 -9.36892 -37.5005 -6.73603 -1.74625 -34.7638 -34.6327 -34.2493 0.205493 TIMING: 1828600 CPU: 5831.23, 0.00321005/step Wall: 5831.23, 0.00321005/step, 2.82787 hours remaining, 239.324219 MB of memory in use. ENERGY: 1828600 3986.6802 20429.9907 14391.9131 243.9763 -203210.2295 2463.4205 0.0000 0.0000 52128.1922 -109566.0565 299.5814 -161694.2487 -109194.0994 298.9349 109.9315 133.4563 760700.9740 9.8714 9.7864 PRESSURE: 1828800 -369.093 -199.954 -44.1091 -199.954 29.4038 167.188 -44.1088 167.187 -262.928 GPRESSURE: 1828800 -301.324 -192.841 -12.3961 -48.5714 -23.5937 181.41 -231.383 109.446 -179.097 PRESSAVG: 1828800 3.36836 -47.7706 6.69649 -47.7706 -17.6391 -36.252 6.69646 -36.2519 -6.37648 GPRESSAVG: 1828800 4.7811 -48.143 6.99197 -47.2603 -17.5919 -34.4273 3.29758 -34.9728 -7.36757 TIMING: 1828800 CPU: 5831.88, 0.0032095/step Wall: 5831.88, 0.0032095/step, 2.82721 hours remaining, 239.324219 MB of memory in use. ENERGY: 1828800 3905.4780 20497.7682 14435.3718 237.0961 -203171.7757 2432.1056 0.0000 0.0000 52041.8776 -109622.0784 299.0854 -161663.9561 -109272.9266 299.1216 -200.8725 -168.0051 760900.8933 -6.8824 -6.7261 PRESSURE: 1829000 -13.889 -95.6474 136.996 -95.647 8.24141 142.576 136.996 142.577 -369.97 GPRESSURE: 1829000 101.534 -0.129871 152.225 8.54316 -37.9704 54.0067 324.65 -15.3772 -327.732 PRESSAVG: 1829000 -28.0341 9.14685 -49.9174 9.14685 43.4304 -9.67628 -49.9174 -9.67622 -9.35721 GPRESSAVG: 1829000 -28.2667 10.7702 -51.3197 7.53859 42.4209 -9.2232 -47.7776 -11.6369 -7.55793 TIMING: 1829000 CPU: 5832.52, 0.00321299/step Wall: 5832.52, 0.00321299/step, 2.83011 hours remaining, 239.324219 MB of memory in use. ENERGY: 1829000 4024.8319 20430.7138 14465.2873 237.6951 -202912.4763 2310.9896 0.0000 0.0000 52010.0268 -109432.9319 298.9023 -161442.9586 -109071.8058 299.6789 -125.2058 -88.0559 758841.6647 2.0131 2.1988 PRESSURE: 1829200 -44.2419 309.184 86.8042 309.184 287.896 -162.921 86.804 -162.92 -46.7714 GPRESSURE: 1829200 55.6728 232.129 61.3796 206.095 277.38 -133.323 -56.5349 -116.622 -42.5309 PRESSAVG: 1829200 -7.50075 0.342216 -18.6591 0.342238 -10.3227 13.7318 -18.6592 13.7318 -14.5158 GPRESSAVG: 1829200 -8.55957 0.460709 -17.9973 1.11941 -9.3074 12.0061 -19.6731 15.1399 -14.5815 TIMING: 1829200 CPU: 5833.16, 0.00321159/step Wall: 5833.16, 0.00321159/step, 2.8287 hours remaining, 239.324219 MB of memory in use. ENERGY: 1829200 3987.3358 20530.2848 14434.5820 267.7690 -203275.3117 2481.2367 0.0000 0.0000 52403.8385 -109170.2649 301.1656 -161574.1034 -108805.4331 299.9173 65.6277 96.8407 760316.0959 -10.7797 -10.8161 PRESSURE: 1829400 66.452 -99.5141 175.6 -99.5132 -406.524 -153.492 175.6 -153.492 157.485 GPRESSURE: 1829400 39.7795 34.3101 166.959 -17.1764 -355.28 -49.6589 147.862 -61.4141 198.87 PRESSAVG: 1829400 12.8989 -0.747444 36.828 -0.747395 -8.32395 -62.3402 36.8281 -62.3401 1.39254 GPRESSAVG: 1829400 13.3694 -0.272775 36.1766 0.100053 -9.34694 -60.8034 36.4349 -60.7973 2.50097 TIMING: 1829400 CPU: 5833.8, 0.00320766/step Wall: 5833.8, 0.00320766/step, 2.82505 hours remaining, 239.324219 MB of memory in use. ENERGY: 1829400 3916.1919 20401.4163 14425.0230 265.3085 -203143.1241 2450.4622 0.0000 0.0000 52369.7403 -109314.9820 300.9696 -161684.7223 -108950.2065 299.5939 -60.8622 -38.8770 759368.1449 1.9892 2.1745 PRESSURE: 1829600 4.95097 -75.7265 -110.965 -75.7264 -174.907 -32.8445 -110.965 -32.8447 -70.6017 GPRESSURE: 1829600 -46.6992 19.7807 -84.4698 -71.3875 -3.27444 -6.94664 61.7831 -87.7324 -95.8463 PRESSAVG: 1829600 -96.4018 22.6288 15.2495 22.6288 81.3988 26.7093 15.2495 26.7093 12.0393 GPRESSAVG: 1829600 -95.9108 19.571 16.2122 24.296 82.307 26.487 17.5956 24.3737 9.99996 TIMING: 1829600 CPU: 5834.45, 0.00322765/step Wall: 5834.45, 0.00322765/step, 2.84248 hours remaining, 239.324219 MB of memory in use. ENERGY: 1829600 4013.4929 20302.2507 14535.4767 231.7143 -203301.8449 2661.5668 0.0000 0.0000 52300.8307 -109256.5127 300.5736 -161557.3434 -108883.0398 299.6704 -80.1859 -48.6066 758693.0072 -0.9879 -1.2013 PRESSURE: 1829800 447.811 -85.8442 -172.954 -85.8434 119.965 -265.997 -172.954 -265.998 236.558 GPRESSURE: 1829800 367.129 -70.232 -97.6197 -29.0101 228.454 -364.425 -171.67 -200.429 273.36 PRESSAVG: 1829800 26.3943 16.3052 -15.3119 16.3052 -17.0067 -75.8114 -15.3118 -75.8115 -18.6035 GPRESSAVG: 1829800 25.8006 17.3749 -15.6146 14.3449 -16.4008 -75.3737 -16.1135 -73.7827 -18.2686 TIMING: 1829800 CPU: 5835.09, 0.00319501/step Wall: 5835.09, 0.00319501/step, 2.81356 hours remaining, 239.324219 MB of memory in use. ENERGY: 1829800 3940.9396 20393.0237 14555.0106 237.9273 -203089.5848 2599.0048 0.0000 0.0000 52124.3712 -109239.3075 299.5595 -161363.6787 -108876.4160 299.8460 268.1114 289.6478 759420.4056 -3.0720 -2.9563 PRESSURE: 1830000 85.6084 -201.615 33.1326 -201.614 490.236 13.6825 33.1321 13.6837 65.4705 GPRESSURE: 1830000 177.914 -196.662 -38.1605 -19.3544 487.534 66.6087 57.7681 -182.918 63.8872 PRESSAVG: 1830000 -45.7479 17.5461 -18.087 17.5461 22.4135 12.1827 -18.087 12.1828 6.49623 GPRESSAVG: 1830000 -45.2936 16.6385 -16.9951 17.717 22.295 10.7449 -20.0411 9.10335 6.64216 TIMING: 1830000 CPU: 5835.72, 0.00318204/step Wall: 5835.72, 0.00318204/step, 2.80197 hours remaining, 239.324219 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: 1830000 4029.6876 20446.6562 14482.2414 248.1537 -203163.7308 2544.7098 0.0000 0.0000 52146.5125 -109265.7696 299.6867 -161412.2820 -108906.9760 299.8292 213.7716 243.1119 758921.7682 -5.6127 -5.4521 PRESSURE: 1830200 -149.751 140.874 67.8995 140.874 -275.338 155.721 67.9 155.72 -558.726 GPRESSURE: 1830200 -171.007 283.26 9.29794 173.941 -242.714 144.858 -95.3955 200.563 -490.013 PRESSAVG: 1830200 53.2384 57.5055 31.0494 57.5055 -52.0034 3.17146 31.0493 3.17142 3.64144 GPRESSAVG: 1830200 54.1403 60.0476 30.424 57.2562 -53.9997 3.10222 32.9705 2.94164 4.21228 TIMING: 1830200 CPU: 5836.36, 0.00319219/step Wall: 5836.36, 0.00319219/step, 2.81072 hours remaining, 239.324219 MB of memory in use. ENERGY: 1830200 3920.1629 20493.0094 14457.4126 245.6981 -202914.6605 2104.6914 0.0000 0.0000 52172.7666 -109520.9195 299.8376 -161693.6861 -109155.4196 299.5713 -327.9383 -301.2447 758888.9166 1.6255 1.4510 PRESSURE: 1830400 -116.473 -205.465 -44.1184 -205.466 269.48 64.1464 -44.1186 64.1461 -210.506 GPRESSURE: 1830400 -25.1739 -215.92 -43.3689 -248.627 199.839 -1.33086 -13.3535 247.65 -138.816 PRESSAVG: 1830400 -24.9997 31.8453 13.1938 31.8453 20.4723 9.44733 13.1938 9.44728 12.3258 GPRESSAVG: 1830400 -24.1983 30.0224 12.7272 30.9758 20.8432 9.74388 14.3911 12.0406 11.0778 TIMING: 1830400 CPU: 5837, 0.00320685/step Wall: 5837, 0.00320685/step, 2.82345 hours remaining, 239.324219 MB of memory in use. ENERGY: 1830400 3850.6463 20438.5658 14534.8856 229.7058 -203201.0973 2575.9407 0.0000 0.0000 52092.3837 -109478.9694 299.3756 -161571.3531 -109116.1326 299.1614 -19.1664 11.9500 759982.3298 2.5994 2.5742 PRESSURE: 1830600 -61.0924 127.342 -156.199 127.341 265.143 0.289134 -156.199 0.287462 605.156 GPRESSURE: 1830600 65.2285 91.2606 -280.716 243.837 268.248 43.6679 -181.907 -59.1708 569.189 PRESSAVG: 1830600 45.5146 49.7183 -30.4589 49.7182 -1.08833 21.181 -30.4589 21.181 9.03998 GPRESSAVG: 1830600 44.284 50.7924 -31.2372 49.2739 -0.386911 23.1315 -31.1665 19.1515 9.45841 TIMING: 1830600 CPU: 5837.65, 0.00321395/step Wall: 5837.65, 0.00321395/step, 2.82952 hours remaining, 239.324219 MB of memory in use. ENERGY: 1830600 3973.1821 20444.3203 14504.2718 247.9795 -203794.8536 2870.6764 0.0000 0.0000 52094.6751 -109659.7485 299.3888 -161754.4235 -109298.4680 299.2758 269.7353 300.8886 759837.6158 17.8221 17.7852 PRESSURE: 1830800 101.386 94.2472 -57.9416 94.2479 -186.694 -2.29958 -57.9412 -2.29928 -267.793 GPRESSURE: 1830800 94.1432 130.168 -1.62399 25.2776 -161.327 59.0409 -33.5908 106.643 -194.005 PRESSAVG: 1830800 21.9663 30.2224 -2.63746 30.2224 -50.6671 21.5628 -2.6374 21.5628 -3.11886 GPRESSAVG: 1830800 22.759 30.2917 -2.18732 31.5764 -51.6491 19.0519 -2.48064 23.162 -2.82611 TIMING: 1830800 CPU: 5838.29, 0.00321778/step Wall: 5838.29, 0.00321778/step, 2.83272 hours remaining, 239.324219 MB of memory in use. ENERGY: 1830800 3973.7064 20461.7390 14437.3145 256.3577 -203299.5866 2680.9676 0.0000 0.0000 51957.6634 -109531.8379 298.6014 -161489.5014 -109172.4422 299.2958 -117.7004 -87.0632 762723.4754 -10.6065 -10.5721 PRESSURE: 1831000 178.487 -92.4203 -109.911 -92.4199 8.7755 98.1321 -109.911 98.1313 204.276 GPRESSURE: 1831000 257.019 -75.6148 -41.9459 -56.6384 59.043 58.2998 -0.852474 -61.1638 165.556 PRESSAVG: 1831000 -5.25305 36.9301 -1.64296 36.9301 15.1739 2.51459 -1.64292 2.51464 0.712611 GPRESSAVG: 1831000 -6.22736 36.5544 0.30912 38.0167 16.0768 2.71758 -2.49106 1.07975 0.524679 TIMING: 1831000 CPU: 5838.93, 0.00321124/step Wall: 5838.93, 0.00321124/step, 2.82678 hours remaining, 239.324219 MB of memory in use. ENERGY: 1831000 4040.5061 20511.2581 14451.6406 248.8162 -203546.1235 2550.9356 0.0000 0.0000 52185.3969 -109557.5700 299.9102 -161742.9669 -109198.5764 299.8156 130.5128 160.5395 760866.3008 3.5445 3.4580 PRESSURE: 1831200 -436.629 -303.04 -170.073 -303.039 -212.219 25.8623 -170.073 25.8627 245.196 GPRESSURE: 1831200 -432.849 -256.622 -130.447 -300.217 -145.952 50.6353 -22.0469 -20.147 241.433 PRESSAVG: 1831200 -23.3715 -40.2607 0.47002 -40.2606 -12.7295 19.4155 0.469978 19.4156 2.29388 GPRESSAVG: 1831200 -22.1492 -42.8199 -0.626347 -39.6172 -13.1999 20.944 -0.14721 19.6062 1.73371 TIMING: 1831200 CPU: 5839.57, 0.00320318/step Wall: 5839.57, 0.00320318/step, 2.81951 hours remaining, 239.324219 MB of memory in use. ENERGY: 1831200 3952.7046 20598.2229 14426.1302 247.4101 -203176.4678 2444.4608 0.0000 0.0000 51979.4904 -109528.0488 298.7268 -161507.5392 -109172.0055 299.1387 -134.5504 -112.4560 763338.9172 -11.2690 -11.2051 PRESSURE: 1831400 -121.564 -39.715 -59.976 -39.7145 75.6112 46.6531 -59.9771 46.6532 -85.4779 GPRESSURE: 1831400 -52.0797 -19.0987 -134.566 -40.9257 133.567 -36.4762 -66.5799 74.8698 -120.464 PRESSAVG: 1831400 32.0775 31.5775 -37.5767 31.5775 -6.76567 24.0363 -37.5768 24.0362 8.62751 GPRESSAVG: 1831400 32.5759 33.564 -39.3972 30.3244 -7.54237 23.8148 -36.6022 23.8623 9.11584 TIMING: 1831400 CPU: 5840.21, 0.00319862/step Wall: 5840.21, 0.00319862/step, 2.81532 hours remaining, 239.324219 MB of memory in use. ENERGY: 1831400 3985.0552 20519.4781 14519.4513 257.7483 -203324.1838 2494.4636 0.0000 0.0000 52070.4451 -109477.5421 299.2496 -161547.9872 -109113.4447 299.2747 -43.8102 -12.9923 762353.9133 11.3131 11.3831 PRESSURE: 1831600 -136.175 -109.02 60.401 -109.019 361.537 -133.13 60.4006 -133.129 -144.297 GPRESSURE: 1831600 -159.526 -130.302 -59.5298 24.6918 408.52 -142.399 73.2755 -173.101 -92.4255 PRESSAVG: 1831600 -48.6718 -12.0287 -39.3647 -12.0288 72.4405 -15.6719 -39.3647 -15.6719 -20.1785 GPRESSAVG: 1831600 -49.899 -10.2522 -38.7505 -11.4625 73.7546 -15.9925 -38.4572 -15.4009 -20.2933 TIMING: 1831600 CPU: 5840.85, 0.00320513/step Wall: 5840.85, 0.00320513/step, 2.82087 hours remaining, 239.324219 MB of memory in use. ENERGY: 1831600 3975.1328 20571.1379 14468.7933 249.5831 -203666.0934 2805.2151 0.0000 0.0000 52218.7101 -109377.5212 300.1016 -161596.2313 -109012.5685 299.8136 27.0217 52.1895 761562.5082 1.1967 1.1874 PRESSURE: 1831800 -54.3053 -152.595 -329.475 -152.594 -307.524 -154.73 -329.476 -154.729 -527.419 GPRESSURE: 1831800 81.3111 -230.095 -293.483 -38.1089 -311.85 -97.732 -265.833 -230.563 -566.539 PRESSAVG: 1831800 -54.2271 -6.60511 -35.1366 -6.60516 35.0722 -73.2928 -35.1366 -73.2927 -10.4798 GPRESSAVG: 1831800 -53.0031 -10.3362 -34.762 -7.44504 33.1343 -74.9245 -37.2944 -72.5046 -9.6383 TIMING: 1831800 CPU: 5841.49, 0.00319221/step Wall: 5841.49, 0.00319221/step, 2.80932 hours remaining, 239.324219 MB of memory in use. ENERGY: 1831800 3931.8020 20353.8862 14440.7283 262.0156 -202692.4334 2272.8497 0.0000 0.0000 52061.5507 -109369.6008 299.1984 -161431.1515 -109001.4608 299.9201 -296.4160 -265.6926 762368.1682 -9.8782 -9.8357 PRESSURE: 1832000 -206.332 -240.652 -184.85 -240.653 -358.529 -125.225 -184.849 -125.226 -404.254 GPRESSURE: 1832000 -279.747 -87.7388 -188.584 -189.16 -327.397 -24.8988 -195.782 -182.62 -250.281 PRESSAVG: 1832000 0.366057 -7.63449 11.9013 -7.63446 -22.2865 -44.5608 11.9013 -44.5609 9.09387 GPRESSAVG: 1832000 -2.14411 -3.59188 11.144 -6.56202 -20.328 -44.6197 15.401 -44.8223 9.33088 TIMING: 1832000 CPU: 5842.13, 0.00319432/step Wall: 5842.13, 0.00319432/step, 2.811 hours remaining, 239.324219 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: 1832000 4064.4901 20557.9568 14437.9569 255.4127 -203469.2045 2616.0971 0.0000 0.0000 52254.8705 -109282.4205 300.3095 -161537.2910 -108927.2939 300.3868 -323.0387 -285.8083 760844.4723 -4.2755 -4.3804 PRESSURE: 1832200 -42.1473 -104.48 339.652 -104.48 -190.134 171.268 339.652 171.269 225.217 GPRESSURE: 1832200 -31.8214 5.74584 334.222 -70.1753 -102.847 156.594 229.611 134.647 226.245 PRESSAVG: 1832200 -19.7959 9.28357 21.405 9.28355 -1.91004 -35.2289 21.405 -35.2288 9.96994 GPRESSAVG: 1832200 -20.0362 7.94899 21.4377 8.14472 -1.37666 -34.9923 18.6054 -34.0691 9.98884 TIMING: 1832200 CPU: 5842.78, 0.0032321/step Wall: 5842.78, 0.0032321/step, 2.84407 hours remaining, 239.324219 MB of memory in use. ENERGY: 1832200 4046.7496 20576.1780 14410.3036 250.8161 -203247.2861 2326.9177 0.0000 0.0000 52312.4562 -109323.8649 300.6404 -161636.3211 -108964.4286 300.5222 -2.3545 30.5257 760982.4003 -3.9120 -3.8080 LDB: ============= START OF LOAD BALANCING ============== 5855.23 LDB: ============== END OF LOAD BALANCING =============== 5855.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5855.24 LDB: ============= START OF LOAD BALANCING ============== 5855.56 LDB: Largest compute 7034 load 0.039348 is 20.2% of average load 0.195008 LDB: Average compute 0.004408 is 2.3% of average load 0.195008 LDB: TIME 5855.56 LOAD: AVG 0.195008 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 5855.56 LOAD: AVG 0.195008 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: TIME 5855.56 LOAD: AVG 0.195008 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: ============== END OF LOAD BALANCING =============== 5855.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5855.57 PRESSURE: 1832400 -197.526 -153.4 51.3735 -153.4 191.686 -68.1817 51.373 -68.182 19.0815 GPRESSURE: 1832400 -155.618 -89.5553 126.563 -70.2999 279.555 -76.7724 34.1902 8.95726 -21.3673 PRESSAVG: 1832400 -87.5076 -13.7592 42.3198 -13.7593 25.1053 -1.314 42.3197 -1.31402 -21.1206 GPRESSAVG: 1832400 -86.1507 -15.421 42.5347 -12.3369 24.6589 -2.3991 41.7264 -0.422902 -21.7195 TIMING: 1832400 CPU: 5843.43, 0.00329073/step Wall: 5843.43, 0.00329073/step, 2.89547 hours remaining, 242.148438 MB of memory in use. ENERGY: 1832400 3983.8564 20535.3884 14358.9109 220.7417 -203269.3607 2788.0883 0.0000 0.0000 51981.8907 -109400.4843 298.7406 -161382.3750 -109032.0310 299.5729 4.4138 34.1900 760761.1634 -27.8410 -27.7371 PRESSURE: 1832600 -28.3683 -55.5792 35.5755 -55.5793 -70.4331 -63.8396 35.5754 -63.8392 316.888 GPRESSURE: 1832600 -61.6429 67.0498 42.7293 -125.406 11.9825 -3.49677 73.1379 -171.585 337.268 PRESSAVG: 1832600 -84.3438 -24.1173 -10.809 -24.1173 43.533 -50.3116 -10.809 -50.3117 7.34441 GPRESSAVG: 1832600 -85.5161 -20.7014 -6.39607 -25.8367 44.0988 -48.9981 -12.678 -51.4541 7.09992 TIMING: 1832600 CPU: 5844.08, 0.00321945/step Wall: 5844.08, 0.00321944/step, 2.83257 hours remaining, 242.148438 MB of memory in use. ENERGY: 1832600 4060.5552 20474.7120 14480.6668 257.4179 -203545.2888 2800.8057 0.0000 0.0000 51976.6283 -109494.5029 298.7104 -161471.1312 -109131.5382 299.4919 72.6956 95.8693 760633.3783 -11.1555 -11.4391 PRESSURE: 1832800 153.37 261.495 58.4758 261.495 -8.32238 57.4969 58.4761 57.4966 -75.1945 GPRESSURE: 1832800 155.895 156.273 85.593 169.39 -14.4184 53.6263 22.2148 -18.7319 -1.80574 PRESSAVG: 1832800 17.982 18.86 -37.6927 18.8601 -11.0226 -14.4264 -37.6928 -14.4264 -11.0414 GPRESSAVG: 1832800 19.4234 16.5628 -42.8171 20.9261 -12.9359 -14.9707 -34.6077 -15.6275 -10.1276 TIMING: 1832800 CPU: 5844.72, 0.0032126/step Wall: 5844.72, 0.0032126/step, 2.82637 hours remaining, 242.148438 MB of memory in use. ENERGY: 1832800 3992.1776 20440.0954 14505.3087 242.6155 -203248.2282 2383.0588 0.0000 0.0000 51828.7428 -109856.2294 297.8605 -161684.9722 -109485.2694 298.4185 23.2843 46.5571 761099.9646 -1.3607 -1.2134 PRESSURE: 1833000 -49.0138 45.4671 154.731 45.4673 134.954 74.0634 154.731 74.0626 -135.726 GPRESSURE: 1833000 -43.7945 -40.7408 86.8444 99.784 238.18 109.73 34.1083 109.032 -135.455 PRESSAVG: 1833000 -78.1291 6.11616 -10.3169 6.11623 74.5001 -15.4639 -10.3169 -15.4639 0.279639 GPRESSAVG: 1833000 -78.3997 5.57332 -9.02727 5.16054 75.9553 -14.7677 -10.165 -14.2325 -0.69775 TIMING: 1833000 CPU: 5845.36, 0.00319687/step Wall: 5845.36, 0.00319687/step, 2.81236 hours remaining, 242.148438 MB of memory in use. ENERGY: 1833000 3958.6492 20249.7273 14447.9116 253.3854 -203560.1473 2532.1778 0.0000 0.0000 52117.3377 -110000.9583 299.5191 -162118.2960 -109626.6669 298.2748 -16.5953 19.6436 759912.4200 -1.1164 -1.0474 PRESSURE: 1833200 -195.07 -37.6834 192.989 -37.6837 -233.726 -0.861262 192.988 -0.862235 -202.097 GPRESSURE: 1833200 -147.676 -83.1914 144.068 -85.0824 -136.514 44.8659 177.222 -29.0904 -242.124 PRESSAVG: 1833200 47.7521 -25.8921 -40.2998 -25.892 -21.6318 -24.9513 -40.2998 -24.9514 -15.1394 GPRESSAVG: 1833200 47.7838 -24.7468 -40.0572 -26.1679 -22.1643 -24.389 -40.6635 -25.7016 -15.1303 TIMING: 1833200 CPU: 5846.01, 0.00322439/step Wall: 5846.01, 0.00322439/step, 2.83639 hours remaining, 242.148438 MB of memory in use. ENERGY: 1833200 3964.3871 20278.0562 14494.7007 245.8636 -203290.4640 2316.4963 0.0000 0.0000 51920.0018 -110070.9584 298.3850 -161990.9602 -109694.8676 298.4155 -210.2979 -175.4378 760864.7375 3.6603 3.4964 PRESSURE: 1833400 -126.319 -192.77 246.444 -192.768 24.8421 2.24875 246.444 2.24821 -6.41366 GPRESSURE: 1833400 -44.4315 -191.585 212.039 -212.987 -24.7533 60.8327 197.746 56.0464 27.1991 PRESSAVG: 1833400 -15.2311 -15.2891 24.4332 -15.289 -16.7306 -6.8589 24.4333 -6.85893 10.9018 GPRESSAVG: 1833400 -16.1671 -14.7308 25.3049 -14.6919 -16.4871 -7.31611 23.1228 -7.97835 11.3364 TIMING: 1833400 CPU: 5846.64, 0.00319482/step Wall: 5846.64, 0.00319482/step, 2.81019 hours remaining, 242.148438 MB of memory in use. ENERGY: 1833400 3941.8533 20515.9865 14387.7385 270.0278 -203324.5771 2358.4666 0.0000 0.0000 51943.5471 -109906.9574 298.5203 -161850.5044 -109536.0024 298.4118 -35.9636 -13.9953 759692.7577 -7.0200 -7.1059 PRESSURE: 1833600 -14.6982 203.428 146.214 203.428 -169.32 -47.7843 146.214 -47.7834 -187.668 GPRESSURE: 1833600 46.8058 237.764 219.917 314.155 -207.228 52.419 233.981 -121.431 -125.128 PRESSAVG: 1833600 -30.3496 -38.5368 -3.41436 -38.5368 47.0914 -43.2025 -3.41432 -43.2025 -5.66402 GPRESSAVG: 1833600 -30.2016 -40.8659 -7.11027 -36.9671 47.2105 -42.0389 -1.41883 -43.1876 -6.04229 TIMING: 1833600 CPU: 5847.29, 0.00322457/step Wall: 5847.29, 0.00322457/step, 2.83619 hours remaining, 242.148438 MB of memory in use. ENERGY: 1833600 4035.4115 20371.7934 14418.7791 240.9949 -203341.6150 2460.7351 0.0000 0.0000 52035.4150 -109778.4860 299.0482 -161813.9010 -109410.3171 298.9885 -123.8952 -95.1832 760154.2770 3.6926 3.6555 PRESSURE: 1833800 -333.011 42.8108 -37.8078 42.8106 -192.096 41.164 -37.8075 41.163 152.521 GPRESSURE: 1833800 -266.032 -13.4537 -196.858 -135.741 -141.423 32.8933 -49.2895 150.293 108.071 PRESSAVG: 1833800 17.027 9.60836 -23.2706 9.60837 -19.5325 -40.8948 -23.2706 -40.8948 2.98117 GPRESSAVG: 1833800 18.1307 12.1795 -21.1951 6.62486 -21.6036 -41.5946 -24.1894 -40.5208 3.38588 TIMING: 1833800 CPU: 5847.93, 0.00320566/step Wall: 5847.93, 0.00320566/step, 2.81938 hours remaining, 242.148438 MB of memory in use. ENERGY: 1833800 3982.8896 20448.9811 14404.2089 244.3538 -203599.9277 2668.4961 0.0000 0.0000 52179.4870 -109671.5109 299.8762 -161850.9980 -109309.8967 299.1568 -124.1955 -99.7949 761504.1820 0.1585 -0.0290 PRESSURE: 1834000 67.7512 123.466 18.3553 123.466 -32.7267 5.43213 18.3553 5.43086 -151.545 GPRESSURE: 1834000 95.5953 59.8335 53.7152 167.55 21.6064 -83.364 118.939 -130.378 -136.541 PRESSAVG: 1834000 -67.8639 18.7579 -33.9824 18.758 2.35491 -10.6823 -33.9824 -10.6824 14.803 GPRESSAVG: 1834000 -69.5118 18.249 -32.8008 19.6746 4.48732 -10.243 -33.6229 -12.8994 14.2536 TIMING: 1834000 CPU: 5848.57, 0.0032139/step Wall: 5848.57, 0.0032139/step, 2.82645 hours remaining, 242.148438 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: 1834000 4076.1043 20640.3986 14360.9922 248.8805 -203647.7942 2764.6748 0.0000 0.0000 52097.5064 -109459.2372 299.4051 -161556.7436 -109091.2889 299.2497 -38.8402 -6.4466 761331.3718 -16.9020 -16.9236 PRESSURE: 1834200 182.309 70.0797 -33.9688 70.0793 217.273 -174.626 -33.9684 -174.625 -716.191 GPRESSURE: 1834200 161.085 15.6167 4.38492 5.14119 256.431 -214.129 37.8522 -168.295 -637.77 PRESSAVG: 1834200 5.1972 -23.2862 -1.7988 -23.2862 3.52723 -7.78507 -1.79878 -7.78505 -2.8164 GPRESSAVG: 1834200 5.59535 -24.8746 -3.39561 -21.873 3.38534 -10.3011 -0.967302 -7.62628 -2.90769 TIMING: 1834200 CPU: 5849.22, 0.00323804/step Wall: 5849.22, 0.00323804/step, 2.8475 hours remaining, 242.148438 MB of memory in use. ENERGY: 1834200 3967.1593 20468.2247 14409.9584 266.1462 -203268.1374 2395.2025 0.0000 0.0000 52085.0856 -109676.3605 299.3337 -161761.4462 -109308.6099 299.0682 -105.5365 -73.4178 760424.7269 1.9693 2.0243 PRESSURE: 1834400 10.7992 18.2386 -211.126 18.2395 -229.193 37.7623 -211.126 37.7612 -114.766 GPRESSURE: 1834400 69.1233 -13.803 -110.584 -32.4007 -221.276 94.7007 -275.589 77.4942 -90.5951 PRESSAVG: 1834400 -11.6659 16.5316 -20.1934 16.5316 20.2467 -21.7035 -20.1934 -21.7035 -13.4108 GPRESSAVG: 1834400 -12.0754 16.1022 -17.6436 15.8367 20.7597 -20.9545 -23.3007 -18.4214 -13.4044 TIMING: 1834400 CPU: 5849.86, 0.00320964/step Wall: 5849.86, 0.00320964/step, 2.82234 hours remaining, 242.148438 MB of memory in use. ENERGY: 1834400 3906.7388 20470.3006 14355.1718 243.5704 -203245.8967 2370.5151 0.0000 0.0000 52262.6665 -109636.9335 300.3543 -161899.6000 -109268.5610 299.2294 -111.0533 -80.9159 760776.1469 -1.6100 -1.5734 PRESSURE: 1834600 -256.778 66.3491 43.3596 66.3496 135.507 22.7203 43.3601 22.7205 244.673 GPRESSURE: 1834600 -265.114 131.44 -13.4648 36.4334 211.609 -27.321 143.207 -239.171 285.598 PRESSAVG: 1834600 -26.8921 -40.386 -28.2412 -40.386 54.6386 -24.4782 -28.2411 -24.4783 -0.591228 GPRESSAVG: 1834600 -26.6054 -38.6001 -30.3291 -39.5397 54.3561 -22.3317 -26.5244 -26.0052 -0.261293 TIMING: 1834600 CPU: 5850.51, 0.00324461/step Wall: 5850.51, 0.00324461/step, 2.85292 hours remaining, 242.148438 MB of memory in use. ENERGY: 1834600 4059.0966 20540.8210 14518.0879 239.8830 -203737.7880 2707.6912 0.0000 0.0000 51852.8066 -109819.4016 297.9988 -161672.2083 -109460.5115 299.3889 41.1342 77.3643 759611.4704 9.0517 9.1631 PRESSURE: 1834800 307.105 7.4219 55.2794 7.42208 121.344 82.0071 55.2786 82.006 -39.7208 GPRESSURE: 1834800 291.421 39.1331 67.4971 44.3272 174.294 179.011 -45.4933 113.915 5.75026 PRESSAVG: 1834800 -68.1435 14.301 -12.8725 14.3011 24.6876 -70.7464 -12.8725 -70.7464 16.2189 GPRESSAVG: 1834800 -69.0395 11.9301 -12.9592 14.3349 25.1976 -71.1406 -14.235 -69.2854 16.1251 TIMING: 1834800 CPU: 5851.16, 0.0032328/step Wall: 5851.16, 0.0032328/step, 2.84235 hours remaining, 242.148438 MB of memory in use. ENERGY: 1834800 4004.0460 20570.1704 14502.8198 244.2904 -203923.8173 2723.1093 0.0000 0.0000 52030.4230 -109848.9583 299.0196 -161879.3813 -109495.9996 299.1489 129.5761 157.1550 758447.4469 -9.0790 -9.2389 PRESSURE: 1835000 99.7885 0.352675 -112.385 0.352918 488.64 -145.585 -112.385 -145.586 -50.1013 GPRESSURE: 1835000 52.9225 27.2599 -150.844 28.1356 567.203 -181.171 -139.259 -120.06 -24.0183 PRESSAVG: 1835000 -63.3937 -17.9398 4.97308 -17.9398 82.9585 -26.3781 4.97315 -26.378 3.11186 GPRESSAVG: 1835000 -62.1216 -15.7842 4.45741 -20.3347 82.1694 -26.4761 5.36285 -27.1819 2.67709 TIMING: 1835000 CPU: 5851.81, 0.00325217/step Wall: 5851.81, 0.00325217/step, 2.8592 hours remaining, 242.148438 MB of memory in use. ENERGY: 1835000 4057.9815 20528.0793 14404.5318 253.0703 -203873.7121 2498.3432 0.0000 0.0000 52234.7051 -109897.0009 300.1936 -162131.7060 -109527.4595 299.0871 179.4423 198.7025 759399.4867 7.5589 7.5750 PRESSURE: 1835200 51.0788 -322.838 -97.2936 -322.839 65.9442 -148.541 -97.2941 -148.541 127.523 GPRESSURE: 1835200 193.241 -279.576 -35.2008 -278.144 -1.63794 -130.043 -92.2557 -118.959 136.817 PRESSAVG: 1835200 -61.4109 -95.0471 -53.7069 -95.0472 62.4899 -61.153 -53.7068 -61.153 5.20474 GPRESSAVG: 1835200 -61.2805 -95.9512 -52.2892 -92.0383 61.6849 -61.729 -53.2423 -62.497 5.75697 TIMING: 1835200 CPU: 5852.46, 0.00325032/step Wall: 5852.46, 0.00325032/step, 2.85739 hours remaining, 242.148438 MB of memory in use. ENERGY: 1835200 4065.8005 20415.1113 14412.1145 252.8803 -204055.4205 2742.4254 0.0000 0.0000 52226.4306 -109940.6578 300.1460 -162167.0884 -109570.1557 299.1956 81.5154 109.4732 759626.8098 2.0946 2.0538 PRESSURE: 1835400 154.956 -87.919 -120.84 -87.9192 173.262 -323.207 -120.84 -323.206 -86.3527 GPRESSURE: 1835400 166.388 -74.3397 -185.212 -92.0141 178.057 -309.104 -70.2506 -398.166 -9.17613 PRESSAVG: 1835400 -16.0768 -30.4085 -24.5803 -30.4085 36.8377 -65.4646 -24.5802 -65.4646 -15.6706 GPRESSAVG: 1835400 -15.4056 -30.4125 -27.1893 -30.1694 37.0133 -65.5151 -24.7241 -64.8298 -16.3516 TIMING: 1835400 CPU: 5853.11, 0.00325755/step Wall: 5853.11, 0.00325756/step, 2.86357 hours remaining, 242.148438 MB of memory in use. ENERGY: 1835400 3988.0792 20453.6812 14419.2405 249.9068 -203696.3352 2673.6183 0.0000 0.0000 52130.9916 -109780.8175 299.5975 -161911.8092 -109421.0532 298.7140 80.6216 111.7560 760312.7025 1.6968 1.7520 PRESSURE: 1835600 -273.499 236.589 -115.577 236.589 -293.72 -42.858 -115.578 -42.8586 -436.473 GPRESSURE: 1835600 -232.164 202.464 -30.0848 43.0892 -284.97 -13.2644 -87.4237 96.0516 -422.948 PRESSAVG: 1835600 -68.2167 -0.18 -77.4184 -0.180059 55.626 -88.2176 -77.4183 -88.2176 6.92382 GPRESSAVG: 1835600 -68.4575 -0.278487 -75.2812 -2.36473 56.809 -91.1881 -76.1803 -86.6778 5.69935 TIMING: 1835600 CPU: 5853.76, 0.00325549/step Wall: 5853.76, 0.00325549/step, 2.86157 hours remaining, 242.148438 MB of memory in use. ENERGY: 1835600 3983.6048 20472.3661 14459.7335 245.0702 -203433.5544 2291.4376 0.0000 0.0000 52259.0755 -109722.2665 300.3336 -161981.3420 -109349.1882 298.6447 -334.5638 -313.3609 761400.3368 -1.8890 -1.9830 PRESSURE: 1835800 20.3638 74.4305 92.5772 74.4306 69.0929 -83.3299 92.5772 -83.3314 211.557 GPRESSURE: 1835800 14.8091 108.531 43.8652 98.1404 89.8449 -96.9915 72.2406 -102.009 270.703 PRESSAVG: 1835800 -19.9095 -4.74369 2.72584 -4.74365 70.2112 7.5068 2.72582 7.50684 5.34762 GPRESSAVG: 1835800 -20.6242 -6.03318 2.07282 -3.18484 68.9507 10.5819 2.62069 5.94045 7.50821 TIMING: 1835800 CPU: 5854.41, 0.00323802/step Wall: 5854.41, 0.00323802/step, 2.84604 hours remaining, 242.148438 MB of memory in use. ENERGY: 1835800 4017.2140 20645.1350 14479.0430 235.6334 -203767.8347 2874.2672 0.0000 0.0000 51854.2261 -109662.3159 298.0070 -161516.5420 -109297.1282 298.9166 100.3380 125.1189 759293.6928 18.5498 18.6116 PRESSURE: 1836000 -11.015 -87.5206 34.5615 -87.5197 -194.002 76.0581 34.5607 76.0569 59.918 GPRESSURE: 1836000 -107.975 -86.789 -83.3182 -119.985 -77.466 79.4226 -93.6694 -90.5289 104.91 PRESSAVG: 1836000 -26.1519 -71.2819 -55.4586 -71.2818 50.8045 -22.8501 -55.4586 -22.8501 13.2832 GPRESSAVG: 1836000 -26.8958 -67.1072 -56.209 -73.9465 51.9631 -22.4074 -57.0118 -24.2522 12.7718 TIMING: 1836000 CPU: 5855.05, 0.00323001/step Wall: 5855.05, 0.00323001/step, 2.83882 hours remaining, 242.148438 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: 1836000 4017.6598 20581.1665 14498.1322 230.7514 -203567.6067 2751.1401 0.0000 0.0000 51805.4094 -109683.3473 297.7264 -161488.7568 -109311.9518 299.1043 -48.3664 -26.8437 760938.5214 12.6453 12.6130 PRESSURE: 1836200 -325.186 276.969 -114.348 276.969 -6.76183 -89.5456 -114.348 -89.545 59.7157 GPRESSURE: 1836200 -216.114 210.997 -198.181 152.403 -20.6218 -22.1271 -31.1552 -136.216 60.3986 PRESSAVG: 1836200 -26.7322 -36.3297 2.30952 -36.3296 20.0771 -3.22285 2.30953 -3.22281 19.5133 GPRESSAVG: 1836200 -25.0709 -40.2574 1.61488 -34.0875 18.2099 -2.11274 3.44823 -1.39536 19.2341 TIMING: 1836200 CPU: 5855.69, 0.00319922/step Wall: 5855.69, 0.00319922/step, 2.81158 hours remaining, 242.148438 MB of memory in use. ENERGY: 1836200 4038.5950 20534.7072 14417.8769 245.9311 -203774.8343 2495.8364 0.0000 0.0000 52230.7802 -109811.1075 300.1710 -162041.8877 -109445.4592 298.7842 -90.7441 -58.7790 759118.3543 4.2861 4.1244 LDB: ============= START OF LOAD BALANCING ============== 5868.15 LDB: ============== END OF LOAD BALANCING =============== 5868.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5868.15 LDB: ============= START OF LOAD BALANCING ============== 5868.47 LDB: Largest compute 7034 load 0.038509 is 19.7% of average load 0.195108 LDB: Average compute 0.004396 is 2.3% of average load 0.195108 LDB: TIME 5868.48 LOAD: AVG 0.195108 MAX 0.215054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 5868.48 LOAD: AVG 0.195108 MAX 0.215054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: TIME 5868.48 LOAD: AVG 0.195108 MAX 0.215054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: ============== END OF LOAD BALANCING =============== 5868.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5868.48 PRESSURE: 1836400 14.8591 -80.2183 409.165 -80.2188 -320.816 58.0325 409.164 58.0325 -355.302 GPRESSURE: 1836400 1.43617 -41.8384 282.74 -109.987 -204.734 55.76 536.093 -5.26112 -355.75 PRESSAVG: 1836400 -11.257 -31.0332 -18.2511 -31.0331 12.7301 18.8058 -18.251 18.8058 -12.129 GPRESSAVG: 1836400 -11.4066 -30.0704 -17.8649 -31.3972 13.1009 16.3827 -17.2529 19.5792 -12.2141 TIMING: 1836400 CPU: 5856.35, 0.00327206/step Wall: 5856.35, 0.00327206/step, 2.87542 hours remaining, 239.953125 MB of memory in use. ENERGY: 1836400 4015.2629 20350.5625 14418.1229 244.4138 -203583.8929 2485.2968 0.0000 0.0000 52162.0242 -109908.2097 299.7759 -162070.2339 -109534.4122 298.9004 -220.4197 -186.3492 759625.1595 -3.5520 -3.5066 PRESSURE: 1836600 38.7606 -36.298 93.7399 -36.2978 166.764 222.971 93.74 222.971 302.248 GPRESSURE: 1836600 62.3645 54.0129 178.15 -53.5428 201.006 256.264 -40.3942 205.055 356.099 PRESSAVG: 1836600 -45.469 -43.2721 39.6067 -43.272 39.6071 -40.7806 39.6066 -40.7806 -12.2741 GPRESSAVG: 1836600 -46.0777 -42.1427 40.7665 -42.0914 40.5379 -41.2299 39.5224 -41.8037 -13.0208 TIMING: 1836600 CPU: 5856.99, 0.00319941/step Wall: 5856.99, 0.00319941/step, 2.81139 hours remaining, 240.132812 MB of memory in use. ENERGY: 1836600 4009.4722 20478.6058 14417.3797 247.8308 -203623.1674 2719.5362 0.0000 0.0000 51738.6281 -110011.7147 297.3426 -161750.3427 -109655.5532 298.2158 169.2573 206.4897 759290.1889 -6.0453 -6.1869 PRESSURE: 1836800 -293.901 -36.825 361.791 -36.8253 -197.248 -101.951 361.79 -101.951 -46.9189 GPRESSURE: 1836800 -302.982 86.8285 299.51 70.3992 -142.56 -150.564 335.178 -17.8391 -6.86685 PRESSAVG: 1836800 -130.664 -16.7428 57.4341 -16.7428 95.7641 -7.15088 57.4342 -7.15088 -16.6655 GPRESSAVG: 1836800 -130.491 -15.9996 57.046 -17.6023 95.1322 -6.60966 54.4897 -7.4855 -16.3689 TIMING: 1836800 CPU: 5857.63, 0.0031966/step Wall: 5857.63, 0.0031966/step, 2.80875 hours remaining, 240.132812 MB of memory in use. ENERGY: 1836800 3931.5808 20498.4770 14443.0801 252.9618 -203334.6966 2403.2966 0.0000 0.0000 51931.9727 -109873.3276 298.4538 -161805.3003 -109508.2561 298.6826 -179.3560 -150.8031 761790.9664 -17.1883 -17.2427 PRESSURE: 1837000 -38.653 38.5754 98.7747 38.5759 325.303 -38.6291 98.7745 -38.6286 299.528 GPRESSURE: 1837000 110.384 -43.5333 181.644 34.3625 303.402 -5.32314 87.0788 15.4866 267.118 PRESSAVG: 1837000 -71.7453 -42.8368 -5.37048 -42.8368 35.5523 -42.5719 -5.37049 -42.5719 11.0995 GPRESSAVG: 1837000 -72.0918 -44.5783 -5.79007 -41.8426 35.9127 -43.7332 -1.93377 -40.0913 11.2927 TIMING: 1837000 CPU: 5858.27, 0.00319947/step Wall: 5858.27, 0.00319946/step, 2.81109 hours remaining, 240.132812 MB of memory in use. ENERGY: 1837000 4090.2009 20343.8621 14496.6978 249.1034 -203503.3729 2759.4912 0.0000 0.0000 51817.3045 -109746.7130 297.7948 -161564.0176 -109380.0224 298.8180 195.3924 226.9678 759854.4526 -8.3645 -8.2955 PRESSURE: 1837200 -435.515 -250.163 243.389 -250.163 -196.482 -0.865365 243.39 -0.864888 26.074 GPRESSURE: 1837200 -360.062 -238.397 254.48 -188.664 -177.777 -26.6391 135.547 20.2887 12.689 PRESSAVG: 1837200 -33.9342 -26.2409 8.96051 -26.241 28.3801 59.0688 8.96054 59.0688 -9.96963 GPRESSAVG: 1837200 -32.7813 -26.4214 10.7189 -27.198 28.5725 61.4557 7.32113 54.5987 -10.2117 TIMING: 1837200 CPU: 5858.91, 0.00321368/step Wall: 5858.91, 0.00321368/step, 2.8234 hours remaining, 240.132812 MB of memory in use. ENERGY: 1837200 3935.1254 20453.2133 14466.4714 248.9325 -203171.6399 2481.7780 0.0000 0.0000 51851.3424 -109734.7770 297.9904 -161586.1194 -109366.3570 299.0926 -201.9745 -175.0502 761048.0346 -5.1746 -4.8068 PRESSURE: 1837400 159.222 -156.974 -172.484 -156.973 -118.343 -12.9933 -172.485 -12.9949 148.256 GPRESSURE: 1837400 199.826 -106.183 -106.282 -73.0163 -155.488 -1.05856 -254.024 -45.1273 202.81 PRESSAVG: 1837400 -19.0429 -97.5841 -10.8042 -97.584 5.23123 -32.5121 -10.8042 -32.5121 14.7903 GPRESSAVG: 1837400 -19.2343 -97.082 -12.6708 -97.1034 4.40011 -35.079 -11.6827 -29.69 15.4042 TIMING: 1837400 CPU: 5859.56, 0.00322892/step Wall: 5859.56, 0.00322892/step, 2.83661 hours remaining, 240.132812 MB of memory in use. ENERGY: 1837400 3938.0148 20503.4667 14433.5275 249.8799 -203488.9492 2523.4141 0.0000 0.0000 52084.8352 -109755.8110 299.3323 -161840.6462 -109401.0595 298.6145 63.0449 82.3828 760339.7834 0.3262 0.1900 PRESSURE: 1837600 -237.979 -86.6283 47.796 -86.6275 276.095 97.8849 47.7971 97.8855 1.77896 GPRESSURE: 1837600 -59.121 -94.8196 65.9376 40.761 196.357 80.296 -31.1688 52.1735 -15.2075 PRESSAVG: 1837600 55.8045 -29.3073 -35.9437 -29.3074 -42.1625 -4.70488 -35.9437 -4.70481 -24.1059 GPRESSAVG: 1837600 57.3279 -29.5503 -35.3536 -28.924 -42.5046 -4.4779 -34.6635 -4.47264 -24.8307 TIMING: 1837600 CPU: 5860.19, 0.00319069/step Wall: 5860.19, 0.00319069/step, 2.80284 hours remaining, 240.132812 MB of memory in use. ENERGY: 1837600 3943.4204 20425.7018 14494.2325 252.3912 -203528.8660 2594.9694 0.0000 0.0000 52182.3799 -109635.7708 299.8929 -161818.1507 -109273.0466 299.3347 13.2985 40.6760 761476.4191 -3.4880 -3.3358 PRESSURE: 1837800 -265.867 -0.70644 -158.24 -0.706373 -12.7537 -110.862 -158.24 -110.863 -115.244 GPRESSURE: 1837800 -260.601 30.6099 -139.074 -100.151 99.8365 -57.3484 -171.561 -131.73 -137.31 PRESSAVG: 1837800 28.1955 -16.9233 -12.782 -16.9233 -21.2986 -37.2204 -12.782 -37.2205 30.3747 GPRESSAVG: 1837800 28.112 -17.8432 -11.6375 -18.5158 -21.4859 -36.337 -12.0114 -37.5553 30.7662 TIMING: 1837800 CPU: 5860.84, 0.00321376/step Wall: 5860.84, 0.00321376/step, 2.82293 hours remaining, 240.335938 MB of memory in use. ENERGY: 1837800 4036.0995 20431.0168 14419.0720 229.3277 -203179.3546 2328.9016 0.0000 0.0000 51870.7594 -109864.1776 298.1020 -161734.9370 -109500.7778 298.4882 -131.2884 -99.3582 761150.6764 12.4239 12.4641 PRESSURE: 1838000 -125.337 229.567 -176.929 229.567 59.2337 135.43 -176.929 135.429 62.7641 GPRESSURE: 1838000 -170.461 54.8406 -153.316 145.338 197.165 99.7677 -71.7031 96.6902 79.6444 PRESSAVG: 1838000 -12.1387 -66.0846 -45.5798 -66.0845 45.1349 21.9315 -45.5797 21.9315 -18.3793 GPRESSAVG: 1838000 -13.3974 -66.6318 -46.891 -64.5131 46.3741 22.8725 -46.1433 22.4293 -18.5725 TIMING: 1838000 CPU: 5861.48, 0.00323158/step Wall: 5861.48, 0.00323158/step, 2.8384 hours remaining, 240.335938 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: 1838000 3933.4014 20421.5874 14436.4927 238.9311 -203188.0289 2406.2479 0.0000 0.0000 51922.1742 -109829.1942 298.3974 -161751.3683 -109467.2489 298.7112 -1.1132 35.4495 759732.0159 4.8723 4.8014 PRESSURE: 1838200 -91.1285 -201.675 31.9428 -201.675 -179.059 -55.7455 31.9424 -55.7443 135.154 GPRESSURE: 1838200 -35.3748 -158.15 21.9847 -203.703 -93.0178 19.4487 143.32 -25.0813 77.2308 PRESSAVG: 1838200 -36.0925 -31.323 -8.66405 -31.3231 47.4526 43.7172 -8.66413 43.7172 5.35993 GPRESSAVG: 1838200 -35.6312 -30.2658 -7.31892 -31.5797 46.5919 43.3121 -8.25172 43.2835 5.16065 TIMING: 1838200 CPU: 5862.13, 0.0032207/step Wall: 5862.13, 0.0032207/step, 2.82867 hours remaining, 240.335938 MB of memory in use. ENERGY: 1838200 4004.9661 20269.3521 14523.0708 238.4690 -203308.7752 2553.3916 0.0000 0.0000 52103.0617 -109616.4640 299.4370 -161719.5257 -109242.1314 298.7219 -45.0111 -17.0539 762346.8535 5.5733 5.3738 PRESSURE: 1838400 -154.211 -124.441 138.878 -124.443 -27.589 -52.5813 138.879 -52.5798 -467.201 GPRESSURE: 1838400 -116.628 -209.104 161.527 -218.975 17.5808 -140.893 122.788 66.1438 -459.65 PRESSAVG: 1838400 2.70629 -59.0123 34.6322 -59.0123 25.43 -19.0616 34.6322 -19.0616 -21.7927 GPRESSAVG: 1838400 1.51899 -60.2277 33.1838 -58.5657 26.179 -19.8681 33.3857 -18.1793 -20.942 TIMING: 1838400 CPU: 5862.77, 0.00321628/step Wall: 5862.77, 0.00321628/step, 2.82461 hours remaining, 240.335938 MB of memory in use. ENERGY: 1838400 3974.4304 20516.2657 14491.9005 239.4424 -203549.4368 2606.1809 0.0000 0.0000 52048.8428 -109672.3740 299.1254 -161721.2168 -109309.1225 298.5171 -216.3336 -186.2326 760973.5446 2.1145 2.2520 PRESSURE: 1838600 -154.043 -73.4203 143.99 -73.4203 110.593 66.0883 143.99 66.0873 416.329 GPRESSURE: 1838600 -115.461 -92.3132 148.384 -83.9073 152.942 160.532 160.49 126.599 417.915 PRESSAVG: 1838600 29.2776 -12.328 12.1662 -12.328 -17.6913 33.0813 12.1662 33.0812 3.35675 GPRESSAVG: 1838600 30.0619 -10.1668 12.4529 -14.2783 -17.6132 35.1947 12.227 33.438 2.33557 TIMING: 1838600 CPU: 5863.42, 0.0032369/step Wall: 5863.42, 0.0032369/step, 2.84254 hours remaining, 240.335938 MB of memory in use. ENERGY: 1838600 3962.7150 20494.3065 14438.7785 242.0286 -203643.4472 2483.1850 0.0000 0.0000 52310.0151 -109712.4185 300.6264 -162022.4336 -109360.0764 299.2425 124.2931 151.7986 760174.6811 4.9810 4.9281 PRESSURE: 1838800 89.9101 -82.6636 1.98737 -82.6634 -258.24 63.2172 1.98731 63.2181 66.4638 GPRESSURE: 1838800 92.6298 -105.847 2.15484 -178.39 -158.339 100.509 27.4606 7.0153 81.7073 PRESSAVG: 1838800 -23.0656 -16.2047 -45.9066 -16.2046 20.4728 54.6007 -45.9065 54.6006 -1.3389 GPRESSAVG: 1838800 -25.2852 -18.4896 -44.2267 -16.3643 22.0025 52.0292 -45.1067 53.198 -0.692016 TIMING: 1838800 CPU: 5864.07, 0.00325282/step Wall: 5864.07, 0.00325282/step, 2.85634 hours remaining, 240.335938 MB of memory in use. ENERGY: 1838800 3973.6887 20436.8065 14415.0879 237.8473 -203306.6684 2526.2647 0.0000 0.0000 52076.7830 -109640.1904 299.2860 -161716.9734 -109278.6469 298.5266 -33.9554 5.3327 761399.6133 -1.3106 -1.3249 PRESSURE: 1839000 -61.0673 -139.213 -92.7133 -139.212 14.0426 -93.7869 -92.7122 -93.7866 81.8456 GPRESSURE: 1839000 -1.96974 -102.324 -83.5757 -108.522 -33.4505 -69.1453 -32.9793 -56.8073 154.235 PRESSAVG: 1839000 -3.2601 -15.5959 -24.4616 -15.5959 12.7898 0.250291 -24.4616 0.250281 30.596 GPRESSAVG: 1839000 -1.20351 -14.3906 -26.5137 -14.3162 11.3727 1.12965 -25.9993 1.15672 30.2387 TIMING: 1839000 CPU: 5864.71, 0.00322646/step Wall: 5864.71, 0.00322646/step, 2.83301 hours remaining, 240.335938 MB of memory in use. ENERGY: 1839000 4050.3800 20268.7665 14504.8850 272.7749 -203603.5977 2923.2492 0.0000 0.0000 52133.5671 -109449.9750 299.6123 -161583.5421 -109077.2097 299.5334 11.6070 39.6049 760868.1052 13.3752 13.4693 PRESSURE: 1839200 -56.0775 -38.6364 91.0963 -38.6355 -76.6367 63.8611 91.0974 63.8622 91.1618 GPRESSURE: 1839200 -54.1793 56.0631 189.73 -55.0833 -59.2722 102.051 136.051 134.006 135.27 PRESSAVG: 1839200 -20.1577 -7.90595 -36.2981 -7.90596 18.7543 43.0829 -36.2981 43.0828 6.54608 GPRESSAVG: 1839200 -21.3229 -7.24898 -35.4765 -7.14507 18.8121 42.7392 -35.7144 44.263 7.34598 TIMING: 1839200 CPU: 5865.36, 0.00324766/step Wall: 5865.36, 0.00324766/step, 2.85145 hours remaining, 240.335938 MB of memory in use. ENERGY: 1839200 3988.2065 20542.1735 14498.4500 236.5433 -203464.1960 2729.8886 0.0000 0.0000 52106.4127 -109362.5216 299.4563 -161468.9342 -109008.1684 299.7122 -13.8508 7.2728 760179.3520 1.7142 1.6117 PRESSURE: 1839400 115.131 81.3349 50.0992 81.3348 -0.128134 3.5374 50.0993 3.53632 393.915 GPRESSURE: 1839400 111.878 67.0637 80.3078 133.495 85.9839 -29.6023 -12.7612 21.1051 379.04 PRESSAVG: 1839400 -15.3143 33.0915 22.5058 33.0916 45.2463 13.3843 22.5058 13.3842 -3.79388 GPRESSAVG: 1839400 -15.0285 31.9151 22.7805 33.7198 45.4253 14.6248 21.7604 11.1822 -4.71217 TIMING: 1839400 CPU: 5866.02, 0.00326543/step Wall: 5866.02, 0.00326543/step, 2.86687 hours remaining, 240.335938 MB of memory in use. ENERGY: 1839400 3958.6660 20505.4389 14471.9073 246.6397 -203301.4758 2569.3553 0.0000 0.0000 51988.3701 -109561.0985 298.7779 -161549.4687 -109201.6955 299.2431 169.6391 192.3008 759995.3150 8.7127 8.5616 PRESSURE: 1839600 152.044 99.329 -170.94 99.3296 -138.889 189.911 -170.94 189.91 273.283 GPRESSURE: 1839600 217.153 156.169 -237.596 -72.0154 -56.137 103.641 -28.6525 160.982 206.654 PRESSAVG: 1839600 -14.0947 -20.7957 -22.933 -20.7958 44.8313 18.7772 -22.933 18.7771 -26.4281 GPRESSAVG: 1839600 -13.0323 -19.3742 -24.6713 -23.1691 43.2878 18.8924 -21.1557 17.5678 -26.1176 TIMING: 1839600 CPU: 5866.65, 0.00318931/step Wall: 5866.65, 0.00318931/step, 2.79986 hours remaining, 240.335938 MB of memory in use. ENERGY: 1839600 3898.0766 20599.3624 14508.2022 249.1881 -203420.7207 2698.7818 0.0000 0.0000 51963.1142 -109503.9954 298.6327 -161467.1096 -109152.7642 298.9421 95.4795 122.5565 760931.6261 1.4362 1.3793 PRESSURE: 1839800 201.66 -52.1748 42.3078 -52.1751 316.829 -83.9849 42.3082 -83.9835 140.231 GPRESSURE: 1839800 165.341 -14.6993 70.2687 16.33 345.957 15.1669 -47.7208 -109.284 231.623 PRESSAVG: 1839800 14.2344 -28.6424 7.31063 -28.6424 44.6511 3.07026 7.31065 3.0702 -19.9594 GPRESSAVG: 1839800 13.6189 -29.6881 8.75904 -28.2128 45.8211 1.41989 6.71767 6.88066 -20.3623 TIMING: 1839800 CPU: 5867.3, 0.00321298/step Wall: 5867.3, 0.00321299/step, 2.82047 hours remaining, 240.335938 MB of memory in use. ENERGY: 1839800 3924.8676 20586.9601 14493.5872 247.0808 -203673.1579 2737.6791 0.0000 0.0000 52197.1334 -109485.8496 299.9776 -161682.9830 -109128.1435 299.3582 219.5730 247.6402 761044.8027 12.9754 13.0259 PRESSURE: 1840000 -143.84 -129.824 108.211 -129.823 186.594 -20.079 108.211 -20.0785 -234.616 GPRESSURE: 1840000 -121.594 -146.74 169.751 -157.267 168.75 -11.7554 117.822 58.0299 -165.673 PRESSAVG: 1840000 -27.0074 -24.8971 -53.178 -24.8971 41.1822 -17.2118 -53.178 -17.2118 4.9809 GPRESSAVG: 1840000 -28.5278 -23.0615 -53.2375 -26.9719 41.8244 -14.9997 -52.4016 -18.1124 5.42767 TIMING: 1840000 CPU: 5867.94, 0.00321579/step Wall: 5867.94, 0.00321579/step, 2.82275 hours remaining, 240.335938 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: 1840000 4008.4446 20508.4771 14511.8547 235.7421 -203201.8898 2380.1236 0.0000 0.0000 52042.5115 -109514.7361 299.0890 -161557.2477 -109144.3507 299.5057 -63.9538 -39.5057 760242.3154 6.3852 6.2414 PRESSURE: 1840200 -169.912 244.045 276.084 244.045 207.604 -125.018 276.084 -125.018 23.2141 GPRESSURE: 1840200 -118.188 146.957 330.2 248.734 295.844 -150.262 208.165 -238.152 -11.2202 PRESSAVG: 1840200 7.91929 -40.9597 57.5949 -40.9598 15.8131 -0.00587652 57.595 -0.00590523 20.1075 GPRESSAVG: 1840200 9.26491 -42.9809 56.1772 -38.3276 14.272 -0.860704 55.0152 -0.74433 20.6139 TIMING: 1840200 CPU: 5868.58, 0.00321001/step Wall: 5868.58, 0.00321001/step, 2.81749 hours remaining, 240.335938 MB of memory in use. ENERGY: 1840200 3975.4873 20549.3179 14514.1040 228.5805 -203194.0046 2415.3589 0.0000 0.0000 52144.2756 -109366.8805 299.6739 -161511.1561 -108992.1588 299.5037 20.3023 55.4786 759227.5785 14.6133 14.7169 LDB: ============= START OF LOAD BALANCING ============== 5881.04 LDB: ============== END OF LOAD BALANCING =============== 5881.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.04 LDB: ============= START OF LOAD BALANCING ============== 5881.36 LDB: Largest compute 7034 load 0.036488 is 18.7% of average load 0.195103 LDB: Average compute 0.004409 is 2.3% of average load 0.195103 LDB: TIME 5881.36 LOAD: AVG 0.195103 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 5881.36 LOAD: AVG 0.195103 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 5881.36 LOAD: AVG 0.195103 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 5881.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.37 PRESSURE: 1840400 -132.953 -125.227 -60.4591 -125.228 -167.65 330.709 -60.4598 330.709 -304.758 GPRESSURE: 1840400 -131.888 -127.275 -93.3768 -141.055 -69.2479 345.256 36.6388 303.924 -324.91 PRESSAVG: 1840400 9.49002 -25.3184 19.6247 -25.3185 10.6926 -43.9479 19.6246 -43.9479 -6.79852 GPRESSAVG: 1840400 8.53638 -23.9464 20.3978 -27.6797 12.4746 -44.5819 21.8632 -45.8523 -6.99204 TIMING: 1840400 CPU: 5869.24, 0.00326779/step Wall: 5869.24, 0.00326779/step, 2.86803 hours remaining, 240.808594 MB of memory in use. ENERGY: 1840400 4097.8056 20484.5986 14463.3670 243.4180 -203487.8878 2450.0349 0.0000 0.0000 52152.3569 -109596.3067 299.7203 -161748.6637 -109231.0052 299.4124 -201.7870 -175.3487 759695.7468 4.4614 4.6730 PRESSURE: 1840600 9.15064 67.4882 -248.789 67.4879 -129.127 -108.222 -248.788 -108.222 421.601 GPRESSURE: 1840600 121.583 83.3893 -264.374 83.2699 -145.391 -187.665 -154.939 -4.14368 425.074 PRESSAVG: 1840600 -38.5171 -51.0645 26.7663 -51.0645 42.2304 28.8176 26.7663 28.8175 -17.9442 GPRESSAVG: 1840600 -37.3484 -50.8222 26.7282 -51.7166 41.5476 29.7438 27.5266 31.8754 -18.5121 TIMING: 1840600 CPU: 5869.88, 0.00321114/step Wall: 5869.88, 0.00321114/step, 2.81813 hours remaining, 241.011719 MB of memory in use. ENERGY: 1840600 3958.4633 20443.7013 14465.1512 238.5653 -203626.2926 2679.7116 0.0000 0.0000 52186.7429 -109653.9570 299.9179 -161840.6999 -109286.1729 298.8386 100.5416 133.7554 760556.0623 -4.7437 -4.7710 PRESSURE: 1840800 -180.67 -189.414 -155.456 -189.413 -56.0418 -234.752 -155.455 -234.753 -193.277 GPRESSURE: 1840800 -143.662 -64.5717 -18.8988 -84.7773 -10.9207 -309.358 -160.73 -140.038 -196.871 PRESSAVG: 1840800 25.6247 -31.0821 35.9223 -31.082 -2.69398 25.9846 35.9223 25.9845 -2.448 GPRESSAVG: 1840800 24.7017 -30.9014 35.4238 -30.581 -1.63617 25.6062 35.0777 24.3295 -2.32763 TIMING: 1840800 CPU: 5870.52, 0.00320062/step Wall: 5870.52, 0.00320062/step, 2.80872 hours remaining, 241.011719 MB of memory in use. ENERGY: 1840800 4052.3944 20647.5534 14485.2216 251.6824 -203746.7643 2801.8140 0.0000 0.0000 51885.6863 -109622.4122 298.1878 -161508.0985 -109264.2810 298.9638 -143.3295 -117.1512 761287.0440 6.8276 6.9126 PRESSURE: 1841000 -467.263 171.41 -175.37 171.409 -346.776 257.206 -175.371 257.205 -377.309 GPRESSURE: 1841000 -495.782 128.759 -117.403 161.084 -270.576 178.954 -178.334 168.423 -335.905 PRESSAVG: 1841000 -27.4785 -33.089 -19.8602 -33.089 32.5024 22.0968 -19.8602 22.0968 9.17335 GPRESSAVG: 1841000 -26.8665 -32.8144 -19.1883 -31.0916 30.9913 21.7452 -20.0859 22.0266 10.2753 TIMING: 1841000 CPU: 5871.15, 0.00316812/step Wall: 5871.15, 0.00316812/step, 2.78002 hours remaining, 241.011719 MB of memory in use. ENERGY: 1841000 4054.8140 20537.8807 14494.3600 243.0869 -203284.2835 2446.1473 0.0000 0.0000 51944.2365 -109563.7581 298.5242 -161507.9947 -109201.4950 299.2070 -397.1163 -367.4209 761512.6908 4.7324 4.8000 PRESSURE: 1841200 -18.9874 36.305 -99.9871 36.3047 -113.189 131.316 -99.9868 131.315 362.121 GPRESSURE: 1841200 7.86478 -1.50813 -87.0126 -13.219 -50.6209 152.402 -128.473 62.1354 361.882 PRESSAVG: 1841200 -31.4954 -19.5343 15.1643 -19.5343 21.7234 14.5418 15.1643 14.5419 21.293 GPRESSAVG: 1841200 -30.9898 -20.3124 15.4736 -19.72 22.1329 13.6603 16.1876 16.0498 20.2945 TIMING: 1841200 CPU: 5871.79, 0.00318965/step Wall: 5871.79, 0.00318965/step, 2.79874 hours remaining, 241.011719 MB of memory in use. ENERGY: 1841200 3934.4052 20439.1244 14550.3621 228.4106 -203624.1193 2623.5054 0.0000 0.0000 52146.7298 -109701.5818 299.6880 -161848.3116 -109336.3958 298.9917 76.6479 106.3753 760338.0527 3.8403 3.8126 PRESSURE: 1841400 -194.822 -243.579 20.8791 -243.579 -24.9056 -15.3496 20.8791 -15.351 -320.589 GPRESSURE: 1841400 -80.8663 -177.234 115.05 -204.307 -35.0224 -31.9505 -10.913 -141.398 -325.544 PRESSAVG: 1841400 -1.16346 -32.8152 23.7473 -32.8152 51.1135 24.0785 23.7473 24.0785 9.11583 GPRESSAVG: 1841400 -1.87866 -32.7343 22.7818 -32.0092 51.2294 24.2985 22.9774 22.3239 9.69441 TIMING: 1841400 CPU: 5872.43, 0.00320652/step Wall: 5872.43, 0.00320652/step, 2.81336 hours remaining, 241.011719 MB of memory in use. ENERGY: 1841400 3979.1736 20511.6686 14439.8286 254.0048 -203350.2570 2426.8084 0.0000 0.0000 51880.9859 -109857.7872 298.1607 -161738.7730 -109482.8278 298.4878 -180.1056 -147.1441 758516.7491 19.6886 19.6817 PRESSURE: 1841600 -95.8119 75.7286 -154.161 75.7286 154.197 240.58 -154.161 240.58 -140.813 GPRESSURE: 1841600 -48.895 44.8986 -106.164 -47.1742 144.879 228.718 -53.948 119.921 -98.7451 PRESSAVG: 1841600 -50.7582 -10.5882 5.7543 -10.5882 74.4051 57.4691 5.75427 57.4691 0.645602 GPRESSAVG: 1841600 -51.0546 -10.4131 6.81777 -13.5983 74.6357 57.3151 4.79982 56.825 0.679086 TIMING: 1841600 CPU: 5873.07, 0.00319971/step Wall: 5873.07, 0.00319971/step, 2.80721 hours remaining, 241.011719 MB of memory in use. ENERGY: 1841600 4033.9959 20677.8027 14405.1409 245.6112 -203820.1475 2729.0000 0.0000 0.0000 51958.7578 -109769.8389 298.6077 -161728.5968 -109407.2711 298.7556 -27.4760 -0.9203 760161.0084 8.0975 8.0867 PRESSURE: 1841800 -48.2077 57.2508 196.35 57.2503 -26.4525 -102.876 196.35 -102.877 399.757 GPRESSURE: 1841800 -96.8903 8.24715 298.527 92.6984 -14.4127 -113.555 82.6949 -126.817 514.983 PRESSAVG: 1841800 -41.0305 -21.7172 28.7414 -21.7172 77.2726 70.908 28.7414 70.9079 4.90269 GPRESSAVG: 1841800 -39.4291 -23.2223 29.4011 -18.8413 76.1226 71.1594 29.8275 71.0181 4.63177 TIMING: 1841800 CPU: 5873.7, 0.00316439/step Wall: 5873.7, 0.00316439/step, 2.77605 hours remaining, 241.011719 MB of memory in use. ENERGY: 1841800 3954.1971 20483.4000 14460.7465 238.8683 -203727.9764 2820.8390 0.0000 0.0000 51971.7468 -109798.1786 298.6823 -161769.9255 -109443.8558 298.6165 108.3656 134.5600 760904.4504 13.7150 13.7751 PRESSURE: 1842000 99.495 3.15967 180.956 3.15871 101.266 -203.116 180.956 -203.116 209.252 GPRESSURE: 1842000 59.0855 42.4558 128.442 -14.7891 195.809 -176.091 166.68 -311.417 241.147 PRESSAVG: 1842000 5.18732 -3.53604 -0.974041 -3.536 25.6774 9.11464 -0.974109 9.11463 -16.3803 GPRESSAVG: 1842000 3.08425 -2.45392 -1.16422 -2.91423 28.0676 9.37223 -2.39518 10.0882 -16.5679 TIMING: 1842000 CPU: 5874.34, 0.00317902/step Wall: 5874.34, 0.00317902/step, 2.78871 hours remaining, 241.011719 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: 1842000 3937.1145 20558.4741 14389.1830 246.4742 -203441.3343 2722.2862 0.0000 0.0000 51966.1285 -109621.6738 298.6501 -161587.8022 -109256.6679 298.8707 136.6708 165.3474 762289.2318 4.8281 4.8613 PRESSURE: 1842200 90.9415 58.7358 161.578 58.7362 -422.167 -18.2471 161.578 -18.2464 -120.505 GPRESSURE: 1842200 130.774 61.5221 215.749 42.024 -324.116 -92.2926 78.5223 7.6838 -154.903 PRESSAVG: 1842200 4.70003 -13.1888 -31.7196 -13.1889 16.3057 10.8545 -31.7195 10.8545 8.36641 GPRESSAVG: 1842200 5.60454 -14.2994 -32.7126 -14.3481 16.0375 12.3694 -30.8999 9.83607 8.06466 TIMING: 1842200 CPU: 5874.97, 0.00316678/step Wall: 5874.97, 0.00316678/step, 2.7778 hours remaining, 241.011719 MB of memory in use. ENERGY: 1842200 4014.5212 20580.0678 14495.6743 257.0703 -203775.6799 2646.3189 0.0000 0.0000 51977.2084 -109804.8190 298.7137 -161782.0275 -109448.9283 298.5486 -150.5766 -116.0818 760364.7817 9.7907 9.9022 PRESSURE: 1842400 226.282 -151.099 87.249 -151.099 -122.444 99.9622 87.2487 99.9619 -216.802 GPRESSURE: 1842400 231.09 -179.217 90.4786 -178.282 -14.4316 154.821 84.4115 42.3983 -222.659 PRESSAVG: 1842400 7.90991 -3.86669 50.7531 -3.86666 15.6356 2.7902 50.7532 2.79019 -15.8074 GPRESSAVG: 1842400 8.23339 -3.69686 49.5721 -2.88581 14.4248 0.922343 51.8138 2.92442 -15.096 TIMING: 1842400 CPU: 5875.61, 0.00319152/step Wall: 5875.61, 0.00319152/step, 2.79932 hours remaining, 241.011719 MB of memory in use. ENERGY: 1842400 3863.8913 20459.2093 14392.4295 254.1011 -203593.6582 2463.0280 0.0000 0.0000 51961.3989 -110199.6000 298.6229 -162160.9990 -109841.5295 298.1315 -37.6548 -2.0002 759413.6505 2.5794 2.5207 PRESSURE: 1842600 207.413 43.3236 154.132 43.3242 71.1304 -90.1284 154.132 -90.1293 197.172 GPRESSURE: 1842600 180.908 148.635 201.192 -68.6928 59.2676 -30.3945 57.0663 -105.902 300.078 PRESSAVG: 1842600 57.933 -19.9677 -3.28765 -19.9677 -90.4405 -12.0785 -3.28775 -12.0786 -14.6969 GPRESSAVG: 1842600 57.2569 -20.8453 -4.19106 -21.2838 -89.5284 -10.9161 -3.79123 -12.2283 -14.5243 TIMING: 1842600 CPU: 5876.25, 0.00320042/step Wall: 5876.25, 0.00320042/step, 2.80695 hours remaining, 241.011719 MB of memory in use. ENERGY: 1842600 3886.3919 20580.0065 14494.9230 237.4376 -203962.2711 2904.1613 0.0000 0.0000 51720.0245 -110139.3263 297.2357 -161859.3508 -109780.5433 297.6422 158.5718 180.0848 761017.8600 -15.7348 -15.5986 PRESSURE: 1842800 -124.118 -53.6945 83.2653 -53.6942 -42.696 -70.8916 83.264 -70.8909 -117.89 GPRESSURE: 1842800 -94.1463 -67.433 132.736 -54.0845 15.4142 7.63134 151.879 -186.265 -103.561 PRESSAVG: 1842800 58.6754 -32.4825 24.0041 -32.4825 -68.0584 -51.3621 24.0041 -51.3621 -52.6519 GPRESSAVG: 1842800 59.6182 -28.6894 24.0276 -31.8719 -67.8928 -50.6047 26.7514 -51.1814 -53.5087 TIMING: 1842800 CPU: 5876.89, 0.00321207/step Wall: 5876.89, 0.00321207/step, 2.81699 hours remaining, 241.011719 MB of memory in use. ENERGY: 1842800 3930.7708 20219.3394 14508.9648 257.2931 -203681.4622 2599.7670 0.0000 0.0000 51916.8720 -110248.4553 298.3670 -162165.3273 -109885.1732 297.6071 -94.9014 -60.7644 762104.5265 -20.6783 -20.5944 PRESSURE: 1843000 213.532 -47.6672 -139.717 -47.6663 379.398 -107.957 -139.716 -107.957 92.9523 GPRESSURE: 1843000 311.943 -87.5985 -166.198 -70.3393 364.87 -110.481 -75.9604 -54.1767 94.3572 PRESSAVG: 1843000 -25.7794 -11.9428 0.737778 -11.9427 -38.0097 -24.5995 0.737771 -24.5995 -18.1398 GPRESSAVG: 1843000 -25.2178 -14.5936 3.71342 -12.3003 -37.7604 -25.7263 -2.6047 -24.5265 -18.3569 TIMING: 1843000 CPU: 5877.53, 0.00317841/step Wall: 5877.53, 0.00317841/step, 2.78729 hours remaining, 241.011719 MB of memory in use. ENERGY: 1843000 3923.5834 20369.2943 14426.0513 260.3689 -204046.9001 2890.0018 0.0000 0.0000 51933.8841 -110243.7164 298.4647 -162177.6005 -109893.2170 297.5812 228.6273 257.0568 759525.2979 -27.3096 -27.1117 PRESSURE: 1843200 -351.357 22.4397 -75.134 22.439 18.167 -131.891 -75.1341 -131.891 63.7603 GPRESSURE: 1843200 -183.406 -88.2159 -156.752 -38.0632 -29.3837 -119.117 -3.69659 -53.7956 24.9847 PRESSAVG: 1843200 54.6178 -62.5162 -29.902 -62.5163 -23.1247 -43.837 -29.9019 -43.8371 -12.9106 GPRESSAVG: 1843200 54.7898 -62.3239 -32.8704 -60.2832 -23.7089 -43.6099 -28.507 -42.3276 -12.2857 TIMING: 1843200 CPU: 5878.17, 0.00318287/step Wall: 5878.17, 0.00318287/step, 2.79103 hours remaining, 241.011719 MB of memory in use. ENERGY: 1843200 3958.2796 20476.3265 14519.3300 240.5830 -203268.0202 2441.7021 0.0000 0.0000 51533.9371 -110097.8619 296.1662 -161631.7991 -109734.9758 298.3326 -89.8098 -62.6017 760590.3721 6.1942 6.2651 PRESSURE: 1843400 69.6657 -104.799 125.26 -104.8 127.636 58.715 125.259 58.7141 57.7011 GPRESSURE: 1843400 70.3913 -28.5301 126.916 -161.556 218.299 -45.5237 159.954 87.5508 42.3019 PRESSAVG: 1843400 3.3861 -62.2316 30.5557 -62.2315 -19.2807 -18.9292 30.5557 -18.9293 20.4904 GPRESSAVG: 1843400 3.02212 -63.0473 31.3 -64.4084 -19.9431 -20.7827 31.8424 -19.4697 20.7966 TIMING: 1843400 CPU: 5878.81, 0.00323541/step Wall: 5878.81, 0.00323541/step, 2.83692 hours remaining, 241.011719 MB of memory in use. ENERGY: 1843400 3883.0468 20493.5962 14492.9273 222.9262 -203477.5213 2704.5861 0.0000 0.0000 51742.8091 -109937.6296 297.3666 -161680.4387 -109582.5209 298.0165 85.0009 110.3307 760689.3897 1.5319 1.2919 PRESSURE: 1843600 202.309 -219.776 -48.9627 -219.776 339.758 169.818 -48.9626 169.818 -232.818 GPRESSURE: 1843600 167.992 -184.214 -35.5076 -133.528 368.586 86.9384 -23.4949 186.191 -136.644 PRESSAVG: 1843600 1.09194 -34.7439 -3.24866 -34.7439 -40.1318 -15.2112 -3.2486 -15.2111 4.23521 GPRESSAVG: 1843600 1.00866 -34.8725 -1.07708 -35.0567 -39.2413 -12.0799 -4.37349 -16.1713 3.43213 TIMING: 1843600 CPU: 5879.46, 0.00321264/step Wall: 5879.46, 0.00321264/step, 2.81677 hours remaining, 241.011719 MB of memory in use. ENERGY: 1843600 3919.7696 20464.1576 14520.9647 228.6664 -203503.3471 2670.9394 0.0000 0.0000 51584.5957 -110114.2538 296.4574 -161698.8496 -109758.7911 297.9426 103.0833 133.3110 760884.7672 -11.6015 -11.6002 PRESSURE: 1843800 -183.321 2.89711 156.659 2.89629 -54.0446 -129.501 156.659 -129.499 -327.456 GPRESSURE: 1843800 -105.442 79.6471 184.134 35.1187 -117.862 13.6678 202.844 -16.7534 -239.395 PRESSAVG: 1843800 9.90033 -65.1096 34.5409 -65.1097 -4.34254 -15.363 34.541 -15.363 0.30852 GPRESSAVG: 1843800 9.57579 -65.353 33.8836 -63.5833 -5.43709 -17.9315 34.51 -15.6866 1.3729 TIMING: 1843800 CPU: 5880.09, 0.00319048/step Wall: 5880.09, 0.00319048/step, 2.79716 hours remaining, 241.011719 MB of memory in use. ENERGY: 1843800 4018.2499 20318.5907 14498.3932 250.5577 -202865.8356 2177.2449 0.0000 0.0000 51534.4413 -110068.3580 296.1691 -161602.7993 -109728.7988 297.5956 -188.2739 -154.2328 761222.6643 1.9554 1.8372 PRESSURE: 1844000 15.5864 -31.3718 98.0611 -31.3715 98.4007 161.384 98.0601 161.384 250.131 GPRESSURE: 1844000 73.0287 -33.1017 6.46548 -18.5702 72.4728 208.65 123.292 125.868 301.943 PRESSAVG: 1844000 -21.4386 -58.3892 30.4481 -58.3892 23.6549 14.5178 30.448 14.5178 5.04529 GPRESSAVG: 1844000 -21.1499 -56.4885 31.0866 -57.3639 24.3555 15.3953 29.6756 14.5033 3.95201 TIMING: 1844000 CPU: 5880.74, 0.00320688/step Wall: 5880.74, 0.00320688/step, 2.81136 hours remaining, 241.011719 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: 1844000 3997.0351 20441.4957 14552.1534 232.9436 -203316.4210 2308.7802 0.0000 0.0000 51703.4532 -110080.5598 297.1405 -161784.0130 -109721.0506 297.9770 121.3728 149.1482 758204.0458 2.4205 2.3859 PRESSURE: 1844200 -288.102 5.47871 -9.29528 5.4786 -288.221 210.341 -9.29637 210.342 -661.346 GPRESSURE: 1844200 -301.434 110.51 -81.2762 29.933 -252.129 259.019 78.8073 37.0379 -613.192 PRESSAVG: 1844200 -38.3456 -11.0231 50.4599 -11.023 9.2875 -26.7217 50.4599 -26.7217 -5.05975 GPRESSAVG: 1844200 -39.6929 -10.0001 49.5477 -11.9996 10.0611 -25.6764 50.7808 -29.0955 -4.91397 TIMING: 1844200 CPU: 5881.37, 0.00319182/step Wall: 5881.37, 0.00319182/step, 2.79799 hours remaining, 241.011719 MB of memory in use. ENERGY: 1844200 4038.4377 20430.0633 14514.1464 254.2699 -202946.0371 1927.8493 0.0000 0.0000 51767.8656 -110013.4048 297.5106 -161781.2704 -109652.4060 298.2849 -412.5564 -388.9186 760059.7040 -11.3726 -11.5153 LDB: ============= START OF LOAD BALANCING ============== 5893.83 LDB: ============== END OF LOAD BALANCING =============== 5893.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5893.83 LDB: ============= START OF LOAD BALANCING ============== 5894.15 LDB: Largest compute 7034 load 0.037519 is 19.2% of average load 0.195134 LDB: Average compute 0.004405 is 2.3% of average load 0.195134 LDB: TIME 5894.15 LOAD: AVG 0.195134 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 5894.15 LOAD: AVG 0.195134 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: TIME 5894.15 LOAD: AVG 0.195134 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: ============== END OF LOAD BALANCING =============== 5894.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5894.16 PRESSURE: 1844400 10.9933 34.8519 -227.184 34.8518 46.552 -168.898 -227.186 -168.898 127.848 GPRESSURE: 1844400 35.5995 90.809 -215.511 -3.98134 50.0612 -186.325 -109.656 -252.982 157.594 PRESSAVG: 1844400 -6.58227 23.2171 -41.784 23.217 7.71336 -22.8649 -41.784 -22.8649 13.9657 GPRESSAVG: 1844400 -4.78061 20.7708 -40.4152 23.6866 5.67301 -23.9411 -41.5129 -20.2798 13.7887 TIMING: 1844400 CPU: 5882.03, 0.00325973/step Wall: 5882.03, 0.00325973/step, 2.85733 hours remaining, 240.808594 MB of memory in use. ENERGY: 1844400 3965.1408 20404.6194 14475.4697 244.2417 -203183.0269 2577.8405 0.0000 0.0000 51621.1471 -109894.5678 296.6674 -161515.7149 -109544.5985 297.8201 61.7979 81.0849 758918.2731 5.0322 4.8937 PRESSURE: 1844600 152.15 -71.811 18.9668 -71.8108 -13.0512 41.2908 18.9667 41.2893 -269.1 GPRESSURE: 1844600 236.692 -118.267 16.9621 -16.395 -21.5035 105.744 -41.9527 16.9147 -266.354 PRESSAVG: 1844600 42.2506 -29.4496 -20.5455 -29.4496 -43.3282 17.7706 -20.5455 17.7705 -3.64125 GPRESSAVG: 1844600 40.9933 -29.0579 -20.7207 -28.0598 -41.3268 18.5616 -22.0536 17.4718 -4.21089 TIMING: 1844600 CPU: 5882.66, 0.00316625/step Wall: 5882.66, 0.00316625/step, 2.77522 hours remaining, 241.027344 MB of memory in use. ENERGY: 1844600 4041.5230 20355.1260 14454.6870 245.2458 -203563.6706 2584.0367 0.0000 0.0000 52065.6472 -109817.4047 299.2220 -161883.0520 -109464.5414 298.2500 -43.3337 -17.0553 759187.6401 -1.5729 -1.5148 PRESSURE: 1844800 26.2878 -213.848 -87.0097 -213.848 -88.3545 -92.8502 -87.0101 -92.8499 160.897 GPRESSURE: 1844800 91.115 -104.508 -145.99 -223.263 -83.6737 -9.54253 -96.2827 -67.6693 173.168 PRESSAVG: 1844800 -8.30217 -9.3429 4.48661 -9.34286 11.4989 36.831 4.4865 36.831 -0.258395 GPRESSAVG: 1844800 -8.7863 -8.90286 4.51005 -9.65087 11.49 36.7972 5.87726 36.365 0.440916 TIMING: 1844800 CPU: 5883.3, 0.00320041/step Wall: 5883.3, 0.00320041/step, 2.80498 hours remaining, 241.230469 MB of memory in use. ENERGY: 1844800 4015.2486 20248.8099 14520.2131 243.6185 -203078.5912 2347.2739 0.0000 0.0000 51889.3209 -109814.1065 298.2086 -161703.4274 -109444.2463 298.6316 32.9434 60.2032 759568.3076 0.9794 1.0482 PRESSURE: 1845000 287.989 -193.124 303.753 -193.125 56.2872 151.645 303.753 151.644 -33.5412 GPRESSURE: 1845000 352.189 -231.866 311.15 -233.969 64.5273 142.92 376.556 59.5263 -23.7565 PRESSAVG: 1845000 39.6124 -27.9831 14.0401 -27.9831 -32.4717 9.26322 14.0401 9.26321 -20.0548 GPRESSAVG: 1845000 40.7811 -28.9665 14.0587 -28.5966 -33.7853 7.13191 12.5994 10.9108 -19.9998 TIMING: 1845000 CPU: 5883.94, 0.00319793/step Wall: 5883.94, 0.00319793/step, 2.80263 hours remaining, 241.230469 MB of memory in use. ENERGY: 1845000 3895.8909 20426.0824 14391.4955 238.1657 -203857.8292 2791.9108 0.0000 0.0000 52117.2025 -109997.0813 299.5183 -162114.2838 -109631.5833 299.0409 103.5783 130.9866 758918.2868 -4.3047 -4.3347 PRESSURE: 1845200 11.0496 16.1702 292.536 16.17 110.955 -69.1881 292.536 -69.1898 378.004 GPRESSURE: 1845200 130.064 -32.2264 339.272 59.8676 54.8188 -41.0964 356.349 -5.66412 395.236 PRESSAVG: 1845200 -42.2374 -16.6253 39.4136 -16.6252 19.0562 14.3336 39.4136 14.3336 8.09371 GPRESSAVG: 1845200 -41.7002 -16.938 39.4836 -17.3209 19.9645 14.195 41.5288 13.2371 5.76452 TIMING: 1845200 CPU: 5884.58, 0.00323081/step Wall: 5884.58, 0.00323081/step, 2.83127 hours remaining, 241.230469 MB of memory in use. ENERGY: 1845200 3936.2515 20321.2297 14444.7848 243.2762 -203409.4663 2563.8592 0.0000 0.0000 52184.6543 -109715.4106 299.9059 -161900.0649 -109350.1470 299.0100 166.6696 193.3727 761027.5012 -5.0292 -5.3237 PRESSURE: 1845400 -212.785 72.6226 -211.662 72.6219 237.173 118.724 -211.662 118.724 102.068 GPRESSURE: 1845400 -103.277 88.4543 -310.992 113.051 253.378 93.0422 -66.9377 36.3948 92.7786 PRESSAVG: 1845400 -9.11922 13.4617 -28.5911 13.4618 34.2022 -1.03864 -28.5912 -1.03866 -4.28163 GPRESSAVG: 1845400 -9.68042 14.0196 -28.7928 14.1399 33.8675 0.571573 -28.4641 -0.72082 -3.2376 TIMING: 1845400 CPU: 5885.23, 0.00320157/step Wall: 5885.23, 0.00320157/step, 2.80547 hours remaining, 241.230469 MB of memory in use. ENERGY: 1845400 4024.1912 20357.1883 14496.8403 238.4101 -203510.6005 2574.2890 0.0000 0.0000 52249.6646 -109570.0170 300.2795 -161819.6816 -109200.1896 298.8609 42.1521 80.9597 759042.5962 6.9338 6.9832 PRESSURE: 1845600 -139.164 -100.397 166.706 -100.398 146.465 189.915 166.706 189.916 -67.1993 GPRESSURE: 1845600 -79.4861 20.9489 132.907 -10.3228 125.721 249.532 91.0869 134.415 -27.4499 PRESSAVG: 1845600 60.0631 -19.3112 -23.004 -19.3112 -27.1278 7.50832 -23.004 7.50828 16.5167 GPRESSAVG: 1845600 59.0386 -20.2321 -23.7582 -17.445 -26.5839 6.44922 -24.429 3.48931 16.8247 TIMING: 1845600 CPU: 5885.87, 0.00320006/step Wall: 5885.87, 0.00320006/step, 2.80396 hours remaining, 241.230469 MB of memory in use. ENERGY: 1845600 3898.9344 20496.7668 14404.7548 229.8694 -202618.0450 2007.4303 0.0000 0.0000 51974.5317 -109605.7577 298.6983 -161580.2894 -109242.0915 299.3463 -19.9661 6.2618 759711.5072 16.4840 16.4265 PRESSURE: 1845800 295.894 -174.09 -61.2368 -174.09 -297.076 -91.6538 -61.2369 -91.6542 421.403 GPRESSURE: 1845800 215.6 -181.207 -51.7698 -152.13 -189.693 -49.9687 -156.397 13.859 468.71 PRESSAVG: 1845800 18.4832 -14.7655 -43.5506 -14.7654 -9.29193 -60.0621 -43.5507 -60.0622 -28.9264 GPRESSAVG: 1845800 19.0625 -13.6597 -43.712 -16.9539 -10.0047 -58.9313 -43.2992 -56.6823 -28.7085 TIMING: 1845800 CPU: 5886.51, 0.003225/step Wall: 5886.51, 0.003225/step, 2.82564 hours remaining, 241.230469 MB of memory in use. ENERGY: 1845800 3962.6132 20464.4701 14384.2602 225.9546 -202933.8198 2135.5169 0.0000 0.0000 52268.6422 -109492.3625 300.3886 -161761.0047 -109134.8745 299.5712 140.0737 164.8727 761125.6059 -6.5784 -6.5502 PRESSURE: 1846000 45.8918 -44.341 -201.538 -44.3413 41.9089 -102.476 -201.538 -102.478 -21.1913 GPRESSURE: 1846000 10.064 -54.3897 -229.076 -23.579 175.748 -144.011 -176.09 26.557 -15.0744 PRESSAVG: 1846000 2.84669 -43.9691 -76.514 -43.9691 -10.038 -12.7466 -76.514 -12.7466 8.19428 GPRESSAVG: 1846000 1.6283 -43.2391 -76.8842 -43.5554 -8.24988 -15.1295 -74.6213 -13.1178 8.08244 TIMING: 1846000 CPU: 5887.15, 0.00321445/step Wall: 5887.15, 0.00321445/step, 2.81622 hours remaining, 241.230469 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: 1846000 4020.3526 20469.8769 14455.9166 233.1319 -203321.0134 2554.1217 0.0000 0.0000 51953.8086 -109633.8050 298.5793 -161587.6137 -109267.8186 299.2579 22.2031 56.9125 760286.6287 0.3343 0.4870 PRESSURE: 1846200 -191.716 -53.5679 -124.555 -53.5676 188.461 9.72667 -124.555 9.72651 -145.412 GPRESSURE: 1846200 -160.293 -38.7665 -91.6023 -44.6639 216.093 -25.3871 -157.951 94.0862 -132.995 PRESSAVG: 1846200 49.2969 10.6908 -19.7457 10.6908 -13.7902 13.9017 -19.7456 13.9017 -8.03039 GPRESSAVG: 1846200 49.0004 11.6759 -19.2398 10.7498 -13.8621 15.1163 -20.5503 14.5318 -8.50073 TIMING: 1846200 CPU: 5887.79, 0.0031941/step Wall: 5887.79, 0.0031941/step, 2.79821 hours remaining, 241.230469 MB of memory in use. ENERGY: 1846200 4019.5241 20353.6513 14500.9344 262.2259 -203618.0068 2764.1673 0.0000 0.0000 52078.0700 -109639.4338 299.2934 -161717.5038 -109285.6629 299.2537 -49.5554 -25.7315 758771.6372 9.1588 8.8792 PRESSURE: 1846400 8.97753 -105.758 49.1284 -105.758 93.175 133.127 49.1283 133.128 155.52 GPRESSURE: 1846400 -5.34818 -61.4398 111.957 -118.767 175.387 82.7554 87.5192 65.781 161.581 PRESSAVG: 1846400 -40.109 -56.0611 -50.6716 -56.0611 26.2326 -0.617532 -50.6716 -0.617599 -7.33231 GPRESSAVG: 1846400 -40.2152 -57.1403 -50.597 -56.8449 25.9562 -1.16407 -49.0366 -0.677012 -7.31696 TIMING: 1846400 CPU: 5888.43, 0.00319495/step Wall: 5888.43, 0.00319495/step, 2.79877 hours remaining, 241.230469 MB of memory in use. ENERGY: 1846400 3956.2745 20461.0210 14466.0886 265.0677 -203441.7324 2482.6058 0.0000 0.0000 51951.5021 -109859.1725 298.5660 -161810.6747 -109499.1809 298.9902 85.8909 110.5401 758393.1760 -7.0696 -7.1920 PRESSURE: 1846600 -353.265 -226.09 -17.9888 -226.09 -40.4774 20.2776 -17.9898 20.277 -514.447 GPRESSURE: 1846600 -380.402 -132.539 32.6579 -238.439 -25.0763 58.9135 -164.493 -9.63899 -420.66 PRESSAVG: 1846600 34.8848 -41.5666 60.0683 -41.5666 -30.5518 -16.2217 60.0683 -16.2217 -9.61899 GPRESSAVG: 1846600 35.5053 -41.3012 58.8556 -39.6721 -32.0382 -16.3586 59.3067 -16.7079 -9.32244 TIMING: 1846600 CPU: 5889.07, 0.00321789/step Wall: 5889.07, 0.00321789/step, 2.81869 hours remaining, 241.230469 MB of memory in use. ENERGY: 1846600 3991.9576 20465.8215 14431.0508 254.5849 -203261.9113 2477.1503 0.0000 0.0000 51982.1749 -109659.1713 298.7423 -161641.3463 -109298.2781 299.1338 -302.7297 -275.3792 759826.2682 -1.7620 -1.9518 PRESSURE: 1846800 261.134 -67.4207 -12.3297 -67.4198 -159.335 -142.908 -12.3306 -142.909 -48.6517 GPRESSURE: 1846800 208.367 22.8147 -72.2483 38.9192 -22.1756 -113.788 12.9265 -106.493 -61.0462 PRESSAVG: 1846800 -14.5284 -28.0798 14.7757 -28.0797 -7.69527 2.18564 14.7757 2.18558 0.475477 GPRESSAVG: 1846800 -14.6527 -26.5213 13.6094 -29.0169 -7.75334 4.4216 13.4757 1.45654 0.728125 TIMING: 1846800 CPU: 5889.72, 0.00320406/step Wall: 5889.72, 0.00320406/step, 2.8064 hours remaining, 241.230469 MB of memory in use. ENERGY: 1846800 3999.1014 20415.0435 14438.1840 243.4604 -203306.4134 2358.8344 0.0000 0.0000 51851.9908 -109999.7990 297.9941 -161851.7897 -109639.5981 298.5505 17.7158 41.7149 759044.5931 -7.2494 -7.2260 PRESSURE: 1847000 94.4399 -16.2451 -81.7165 -16.2444 130.071 -29.0963 -81.7162 -29.0951 -315.593 GPRESSURE: 1847000 125.974 102.785 -68.4454 106.58 135.582 -20.5718 -18.7156 -70.0174 -276.936 PRESSAVG: 1847000 -14.0501 6.69727 -18.1543 6.69728 48.9081 -66.2132 -18.1543 -66.2132 3.10647 GPRESSAVG: 1847000 -14.027 4.61545 -16.2399 7.50438 50.394 -68.5367 -16.294 -68.2842 1.68848 TIMING: 1847000 CPU: 5890.36, 0.00320186/step Wall: 5890.36, 0.00320186/step, 2.8043 hours remaining, 241.230469 MB of memory in use. ENERGY: 1847000 3965.5538 20508.9766 14441.0450 244.6526 -203430.3427 2434.1404 0.0000 0.0000 51956.5711 -109879.4032 298.5951 -161835.9743 -109520.9802 298.4439 -30.3606 -5.1269 759112.9768 12.6548 12.6852 PRESSURE: 1847200 -81.426 90.1972 117.746 90.197 -155.884 -67.617 117.745 -67.6173 395.144 GPRESSURE: 1847200 -11.3733 22.5914 57.9187 92.902 -190.594 -65.4943 -31.2837 121.446 449.776 PRESSAVG: 1847200 26.8065 -19.8424 -8.06211 -19.8424 -34.9649 -28.1223 -8.06208 -28.1223 0.433427 GPRESSAVG: 1847200 27.3443 -18.6744 -7.79136 -20.653 -37.2868 -27.1395 -10.0206 -23.6503 2.25801 TIMING: 1847200 CPU: 5891, 0.00322262/step Wall: 5891, 0.00322262/step, 2.8223 hours remaining, 241.230469 MB of memory in use. ENERGY: 1847200 3990.8422 20264.9472 14379.1804 243.4630 -203598.2207 2662.5077 0.0000 0.0000 52292.3440 -109764.9363 300.5248 -162057.2803 -109401.9541 298.5764 52.6113 82.6028 758468.3756 -2.5750 -2.5615 PRESSURE: 1847400 315.905 -63.6974 -111.63 -63.6974 531.984 198.253 -111.629 198.253 517.921 GPRESSURE: 1847400 318.383 -37.3735 -137.035 -36.9205 626.633 148.337 -106.275 159.908 496.435 PRESSAVG: 1847400 51.3392 -43.0661 39.5473 -43.066 -57.6155 15.5864 39.5473 15.5864 -5.67074 GPRESSAVG: 1847400 50.9726 -43.1606 40.9727 -42.9184 -57.0468 15.7551 37.4438 15.1139 -6.39688 TIMING: 1847400 CPU: 5891.64, 0.0032022/step Wall: 5891.64, 0.0032022/step, 2.80424 hours remaining, 241.230469 MB of memory in use. ENERGY: 1847400 3938.8827 20377.0618 14384.8042 254.2783 -203717.8701 2801.9317 0.0000 0.0000 52160.5357 -109800.3756 299.7673 -161960.9113 -109440.2187 298.9517 455.2697 480.4836 759114.1816 -3.9823 -4.1570 PRESSURE: 1847600 189.944 -76.6967 59.476 -76.6963 90.8078 72.0052 59.4765 72.0064 226.015 GPRESSURE: 1847600 144.712 -111.24 -27.9265 -173.704 142.102 77.6861 -18.8833 166.507 314.146 PRESSAVG: 1847600 -45.2236 -19.3219 -26.2645 -19.3219 41.0505 5.97914 -26.2644 5.97917 -9.12249 GPRESSAVG: 1847600 -44.9771 -18.9458 -27.9951 -20.4137 41.9632 6.53033 -23.2037 3.03397 -10.1361 TIMING: 1847600 CPU: 5892.28, 0.00321814/step Wall: 5892.28, 0.00321814/step, 2.81802 hours remaining, 241.230469 MB of memory in use. ENERGY: 1847600 3951.9883 20378.3465 14457.2370 234.9915 -203153.9523 2402.0177 0.0000 0.0000 51984.9378 -109744.4334 298.7582 -161729.3712 -109399.6482 298.6017 168.9221 200.3200 759595.5059 -4.4318 -4.3833 PRESSURE: 1847800 28.0322 118.136 170.791 118.135 25.3651 162.536 170.791 162.535 251.068 GPRESSURE: 1847800 -8.28444 175.219 107.176 88.6332 104.073 120.803 192.88 202.512 291.585 PRESSAVG: 1847800 -6.43382 -35.0938 9.44639 -35.0939 59.8627 17.9249 9.44643 17.9248 -6.31216 GPRESSAVG: 1847800 -6.36487 -38.7288 10.1886 -33.0081 60.2246 17.7914 9.10047 17.4026 -5.65959 TIMING: 1847800 CPU: 5892.92, 0.00317756/step Wall: 5892.92, 0.00317756/step, 2.78231 hours remaining, 241.230469 MB of memory in use. ENERGY: 1847800 3985.6775 20243.8456 14412.2326 245.4429 -202848.5069 2345.2733 0.0000 0.0000 51823.7482 -109792.2867 297.8318 -161616.0349 -109433.7284 298.7768 101.4883 129.1246 759746.1837 15.7056 16.0667 PRESSURE: 1848000 -157.352 115.335 10.2565 115.334 -212.399 35.9582 10.2557 35.9568 224.516 GPRESSURE: 1848000 -72.3378 174.426 97.982 43.5728 -125.909 -20.8112 -30.9152 5.666 161.329 PRESSAVG: 1848000 -60.8894 -34.008 -2.98546 -34.008 5.30989 -75.4692 -2.98543 -75.4692 -12.1329 GPRESSAVG: 1848000 -61.0303 -32.186 -3.11347 -35.8588 5.55107 -76.9827 -3.48585 -73.1502 -11.9458 TIMING: 1848000 CPU: 5893.56, 0.00319101/step Wall: 5893.56, 0.00319101/step, 2.79391 hours remaining, 241.230469 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: 1848000 4002.9376 20404.5586 14405.0577 252.3462 -203307.7843 2509.6436 0.0000 0.0000 52070.3092 -109662.9314 299.2488 -161733.2405 -109299.0110 299.0144 -48.4120 -12.3062 759389.8833 -22.5708 -22.4750 PRESSURE: 1848200 292.626 -30.4397 6.85508 -30.4398 -210.118 -59.7436 6.85425 -59.7432 18.085 GPRESSURE: 1848200 245.47 -40.7194 22.3757 -72.6903 -154.36 -99.4147 -102.645 -42.1709 88.4154 PRESSAVG: 1848200 31.4561 -21.6665 1.4606 -21.6665 17.0329 43.8439 1.46061 43.8439 -5.03146 GPRESSAVG: 1848200 31.2278 -20.7966 1.13508 -23.2937 16.2738 44.6542 3.66025 42.1931 -4.33752 TIMING: 1848200 CPU: 5894.19, 0.00317758/step Wall: 5894.19, 0.00317758/step, 2.78197 hours remaining, 241.230469 MB of memory in use. ENERGY: 1848200 3923.7569 20514.8018 14464.6442 249.7892 -203339.4746 2550.0884 0.0000 0.0000 52089.2038 -109547.1903 299.3574 -161636.3942 -109178.6081 299.1407 33.5310 59.8418 760207.7941 14.4858 14.3880 LDB: ============= START OF LOAD BALANCING ============== 5906.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5906.65 LDB: =============== DONE WITH MIGRATION ================ 5906.65 LDB: ============= START OF LOAD BALANCING ============== 5906.97 LDB: Largest compute 7034 load 0.038391 is 19.7% of average load 0.195086 LDB: Average compute 0.004427 is 2.3% of average load 0.195086 LDB: TIME 5906.98 LOAD: AVG 0.195086 MAX 0.216479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.875 MB LDB: TIME 5906.98 LOAD: AVG 0.195086 MAX 0.216479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 MB LDB: TIME 5906.98 LOAD: AVG 0.195086 MAX 0.216479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 MB LDB: ============== END OF LOAD BALANCING =============== 5906.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5906.98 PRESSURE: 1848400 -0.414701 -108.671 16.2714 -108.67 -38.9876 -137.971 16.2713 -137.97 143.877 GPRESSURE: 1848400 5.51536 13.8417 -1.93326 -158.063 27.5358 -57.5066 -37.3128 -12.3252 152.252 PRESSAVG: 1848400 -8.14315 -41.2201 -12.3955 -41.22 -20.7552 -15.4289 -12.3955 -15.429 1.71494 GPRESSAVG: 1848400 -8.80932 -40.9231 -14.3349 -38.7771 -18.7725 -14.9126 -12.5276 -14.1887 1.1559 TIMING: 1848400 CPU: 5894.85, 0.00326869/step Wall: 5894.85, 0.00326869/step, 2.86155 hours remaining, 240.039062 MB of memory in use. ENERGY: 1848400 3952.6099 20476.2465 14466.8070 231.8391 -203137.6557 2510.2513 0.0000 0.0000 51985.0234 -109514.8785 298.7586 -161499.9018 -109154.0212 298.9649 34.8250 61.7678 759959.9431 -9.0612 -8.8086 PRESSURE: 1848600 74.625 -21.9413 -271.67 -21.9417 234.514 231.815 -271.67 231.815 81.9817 GPRESSURE: 1848600 73.7595 -22.1089 -313.906 6.79789 232.262 250.008 -298.091 99.3692 175.281 PRESSAVG: 1848600 32.6226 -46.3516 -25.4431 -46.3515 -44.6272 4.42158 -25.4431 4.42157 2.32983 GPRESSAVG: 1848600 32.9096 -46.8174 -24.6193 -47.6391 -46.13 4.98474 -24.9643 6.22232 3.51879 TIMING: 1848600 CPU: 5895.48, 0.00317192/step Wall: 5895.48, 0.00317192/step, 2.77667 hours remaining, 240.242188 MB of memory in use. ENERGY: 1848600 3959.7635 20584.1913 14444.2232 236.3147 -203292.1403 2599.0597 0.0000 0.0000 52035.3408 -109433.2471 299.0478 -161468.5879 -109070.7865 299.6264 130.3736 160.4339 760226.5514 -3.2249 -3.2339 PRESSURE: 1848800 355.2 -98.5354 301.181 -98.5358 -19.0915 112.678 301.181 112.677 -88.9756 GPRESSURE: 1848800 314.04 -76.895 357.45 -20.6771 48.1239 164.59 242.907 16.2314 -36.0126 PRESSAVG: 1848800 11.934 -22.1832 30.2641 -22.1833 -1.79072 24.1687 30.2641 24.1687 -26.3947 GPRESSAVG: 1848800 10.9509 -22.2574 30.561 -24.1825 -0.647778 24.2478 28.1443 23.9627 -27.1307 TIMING: 1848800 CPU: 5896.12, 0.0031889/step Wall: 5896.12, 0.0031889/step, 2.79135 hours remaining, 240.242188 MB of memory in use. ENERGY: 1848800 3991.8060 20633.9276 14512.3579 246.9999 -203653.1914 2558.3498 0.0000 0.0000 52127.7106 -109582.0396 299.5787 -161709.7502 -109219.0731 299.8078 82.3775 108.7170 760284.3656 -5.4171 -5.6092 PRESSURE: 1849000 -287.395 -39.4532 -72.8552 -39.4529 0.141708 0.202532 -72.8543 0.202393 22.4001 GPRESSURE: 1849000 -158.968 -155.818 -75.2411 -217.845 111.754 -2.07243 -35.6186 66.254 -103.621 PRESSAVG: 1849000 110.668 -58.1129 -14.3015 -58.113 -60.45 8.22752 -14.3015 8.22754 -3.93657 GPRESSAVG: 1849000 112.283 -58.1616 -12.9837 -54.9985 -61.233 6.86879 -13.17 7.91622 -4.26499 TIMING: 1849000 CPU: 5896.76, 0.00317997/step Wall: 5896.76, 0.00317997/step, 2.78336 hours remaining, 240.242188 MB of memory in use. ENERGY: 1849000 4003.4803 20538.1659 14465.2741 245.9343 -203408.6110 2358.6951 0.0000 0.0000 52053.9913 -109743.0699 299.1550 -161797.0612 -109383.7639 298.9242 -88.2844 -50.2783 758806.3466 15.4272 15.5949 PRESSURE: 1849200 100.639 -302.913 116.767 -302.914 -343.864 160.009 116.768 160.008 34.0701 GPRESSURE: 1849200 197.12 -268.338 72.6508 -234.373 -288.752 128.24 116.159 82.0898 -12.6141 PRESSAVG: 1849200 28.6294 -55.0207 21.7926 -55.0207 -17.2951 3.89566 21.7926 3.89562 -11.0344 GPRESSAVG: 1849200 28.375 -55.4548 21.025 -56.4281 -16.6049 3.55934 21.2114 5.4066 -11.3837 TIMING: 1849200 CPU: 5897.39, 0.00317134/step Wall: 5897.39, 0.00317134/step, 2.77563 hours remaining, 240.242188 MB of memory in use. ENERGY: 1849200 4026.4606 20528.8414 14402.8008 241.1021 -203255.0163 2408.7466 0.0000 0.0000 51773.6940 -109873.3708 297.5441 -161647.0648 -109509.6920 298.7527 -69.7183 -34.7486 760335.8553 0.1000 0.1288 PRESSURE: 1849400 -80.6696 -59.7831 70.8096 -59.7833 -61.4275 -103.909 70.8088 -103.91 87.3895 GPRESSURE: 1849400 3.83788 104.047 110.887 -50.0036 -55.2625 -96.5285 114.294 -197.773 100.308 PRESSAVG: 1849400 15.7501 -48.4869 -36.5486 -48.4869 -11.0856 -27.5612 -36.5486 -27.5612 -7.9623 GPRESSAVG: 1849400 15.7736 -48.6464 -37.3322 -48.1018 -11.3288 -26.3541 -36.2747 -28.204 -7.27969 TIMING: 1849400 CPU: 5898.03, 0.00318203/step Wall: 5898.03, 0.00318203/step, 2.7848 hours remaining, 240.242188 MB of memory in use. ENERGY: 1849400 3995.3775 20650.5840 14444.1995 241.0472 -203341.5142 2600.4899 0.0000 0.0000 51847.0485 -109562.7675 297.9657 -161409.8160 -109200.5051 298.4856 -18.2359 16.2945 760424.6756 -1.0992 -0.9449 PRESSURE: 1849600 -57.8477 -51.7978 88.846 -51.7981 -261.304 37.9361 88.8462 37.9373 -81.5461 GPRESSURE: 1849600 -11.2873 -107.553 -11.6737 -34.7176 -199.313 27.9909 43.6776 24.5764 -121.316 PRESSAVG: 1849600 4.80231 -48.8653 28.2201 -48.8653 -18.8487 -33.7683 28.2201 -33.7683 20.1307 GPRESSAVG: 1849600 6.07328 -48.0711 30.6334 -49.4167 -18.1514 -34.7249 26.0734 -35.3578 17.9882 TIMING: 1849600 CPU: 5898.66, 0.00316762/step Wall: 5898.66, 0.00316762/step, 2.77202 hours remaining, 240.242188 MB of memory in use. ENERGY: 1849600 4004.7446 20632.6694 14423.9174 264.3803 -203016.3093 2316.2307 0.0000 0.0000 52002.9987 -109371.3682 298.8619 -161374.3670 -109017.7795 299.2220 -133.5659 -110.6387 760790.1108 2.0281 1.9700 PRESSURE: 1849800 -445.678 150.376 43.1596 150.376 264.977 12.7994 43.1602 12.7998 -133.056 GPRESSURE: 1849800 -352.292 139.938 -20.9588 173.411 268.3 34.1635 -3.24283 -2.64076 -143.65 PRESSAVG: 1849800 37.9393 1.08343 -32.6334 1.0834 10.6652 7.28469 -32.6334 7.28469 -4.88208 GPRESSAVG: 1849800 35.4662 0.29778 -34.9506 1.00009 10.4365 8.15925 -29.433 8.57706 -2.29031 TIMING: 1849800 CPU: 5899.29, 0.00316459/step Wall: 5899.29, 0.00316459/step, 2.76919 hours remaining, 240.242188 MB of memory in use. ENERGY: 1849800 3965.6248 20634.7439 14487.5233 229.9541 -203264.2923 2531.0035 0.0000 0.0000 52063.6098 -109351.8328 299.2103 -161415.4426 -108989.5307 299.5751 -104.5853 -75.8806 759406.5885 14.5741 14.5375 PRESSURE: 1850000 166.077 -70.5244 -105.143 -70.5246 -88.8838 -24.9305 -105.143 -24.9306 -101.774 GPRESSURE: 1850000 102.983 -27.9507 -112.813 -95.3631 -55.5606 5.76647 -127.644 29.8798 20.2357 PRESSAVG: 1850000 -3.43186 -14.6314 45.745 -14.6314 -10.0017 -1.11504 45.7449 -1.11496 -10.1288 GPRESSAVG: 1850000 -1.39905 -15.3419 46.7776 -15.6147 -11.1763 -1.60316 45.3479 -2.07992 -10.2063 TIMING: 1850000 CPU: 5899.92, 0.00316243/step Wall: 5899.92, 0.00316243/step, 2.76713 hours remaining, 240.242188 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: 1850000 3999.0664 20510.2366 14423.1631 265.4146 -203125.2121 2511.9478 0.0000 0.0000 52147.7278 -109267.6557 299.6937 -161415.3835 -108900.9577 299.4820 -8.1936 22.5527 759595.6375 -7.8541 -7.5939 PRESSURE: 1850200 -587.744 -26.7883 -19.0831 -26.7878 -99.7228 15.3671 -19.0826 15.3669 102.494 GPRESSURE: 1850200 -487.864 -79.5646 -8.01899 -28.3913 -166.308 -22.8467 -41.92 29.8518 133.661 PRESSAVG: 1850200 68.7815 -4.78102 10.4861 -4.78102 14.4328 -24.9768 10.4861 -24.9768 -2.07166 GPRESSAVG: 1850200 69.5579 -6.97839 12.2141 -2.52985 15.1015 -23.0594 7.63962 -26.0887 -3.08804 TIMING: 1850200 CPU: 5900.56, 0.00318517/step Wall: 5900.56, 0.00318517/step, 2.78685 hours remaining, 240.242188 MB of memory in use. ENERGY: 1850200 3949.3455 20504.0112 14534.8229 239.6787 -203217.9844 2331.6421 0.0000 0.0000 52276.6188 -109381.8651 300.4344 -161658.4839 -109019.5328 299.9488 -194.9911 -173.5037 760356.2202 27.0475 27.1904 PRESSURE: 1850400 -136.254 276.6 -138.916 276.6 -23.0271 -217.843 -138.916 -217.843 -132.596 GPRESSURE: 1850400 -85.2198 255.783 -113.397 253.646 1.11302 -221.65 -191.997 -120.499 -132.143 PRESSAVG: 1850400 5.27188 -35.6856 43.5757 -35.6856 14.194 -43.8428 43.5757 -43.8428 27.8259 GPRESSAVG: 1850400 4.6734 -31.1363 43.1372 -38.364 14.9006 -44.076 45.1725 -43.0881 27.907 TIMING: 1850400 CPU: 5901.2, 0.00318645/step Wall: 5901.2, 0.00318645/step, 2.78779 hours remaining, 240.242188 MB of memory in use. ENERGY: 1850400 3912.9836 20518.4780 14411.1264 245.4921 -202991.5769 2242.5177 0.0000 0.0000 52117.3931 -109543.5860 299.5194 -161660.9791 -109178.3295 299.2770 -97.2924 -72.0831 761054.8528 15.7639 15.8270 PRESSURE: 1850600 467.127 -143.324 47.7346 -143.324 -21.2797 -220.611 47.7333 -220.611 200.846 GPRESSURE: 1850600 398.241 -81.1924 39.8884 -79.5922 18.8302 -273.863 -88.7708 -25.1741 301.027 PRESSAVG: 1850600 15.2095 -31.1243 -30.1765 -31.1244 -27.5122 29.8461 -30.1765 29.846 9.81283 GPRESSAVG: 1850600 15.0122 -33.5398 -31.398 -29.4163 -28.2819 27.4186 -29.8425 30.2181 10.5132 TIMING: 1850600 CPU: 5901.84, 0.00319294/step Wall: 5901.84, 0.00319294/step, 2.79329 hours remaining, 240.242188 MB of memory in use. ENERGY: 1850600 4008.5390 20588.0063 14477.3664 235.0788 -203526.1113 2617.3350 0.0000 0.0000 52009.5236 -109590.2622 298.8994 -161599.7858 -109232.1582 298.9089 215.5644 239.3661 758540.4214 -0.8299 -0.9189 PRESSURE: 1850800 98.8935 -50.5663 -4.6844 -50.5668 -135.692 111.581 -4.68415 111.581 -0.0357741 GPRESSURE: 1850800 94.7216 -94.4643 46.4115 -19.4085 -71.5524 152.956 -179.11 56.2529 23.4506 PRESSAVG: 1850800 1.56325 -1.69492 19.7762 -1.69494 -10.4749 5.00753 19.7761 5.00747 -5.15308 GPRESSAVG: 1850800 1.80495 -0.82095 19.0159 -3.77983 -10.3799 7.00969 19.0112 6.25659 -5.732 TIMING: 1850800 CPU: 5902.48, 0.00321784/step Wall: 5902.48, 0.00321784/step, 2.8149 hours remaining, 240.242188 MB of memory in use. ENERGY: 1850800 3970.6555 20534.0342 14476.8414 246.3551 -203939.7522 2970.6921 0.0000 0.0000 51982.0975 -109759.0764 298.7418 -161741.1739 -109404.9695 298.7178 -12.2781 15.5400 761130.7300 -4.6882 -4.7690 PRESSURE: 1851000 93.9045 -133.578 9.51701 -133.578 84.5919 84.6608 9.51587 84.6602 113.018 GPRESSURE: 1851000 109.292 -206.664 7.45164 -147.471 117.008 36.611 8.46086 2.81535 172.113 PRESSAVG: 1851000 29.6256 12.9447 19.3801 12.9446 37.5183 -18.2036 19.3802 -18.2036 -3.75613 GPRESSAVG: 1851000 28.1901 11.9112 20.4666 14.7196 38.694 -19.0142 19.4039 -18.4219 -3.26679 TIMING: 1851000 CPU: 5903.11, 0.0031667/step Wall: 5903.11, 0.0031667/step, 2.76998 hours remaining, 240.242188 MB of memory in use. ENERGY: 1851000 4056.3706 20442.0754 14440.4948 253.3079 -203730.2126 2631.6272 0.0000 0.0000 51999.1749 -109907.1618 298.8400 -161906.3366 -109549.6219 298.5526 97.1713 132.8040 760434.4055 21.1293 21.2058 PRESSURE: 1851200 157.823 106.427 226.708 106.427 204.957 212.401 226.707 212.401 -147.552 GPRESSURE: 1851200 158.119 78.8243 178.067 21.7346 203.205 109.138 165.909 193.309 -48.2243 PRESSAVG: 1851200 9.34416 19.4079 -8.47282 19.4079 -11.1038 -21.2684 -8.47284 -21.2685 -8.87626 GPRESSAVG: 1851200 10.0444 20.3318 -9.1971 17.8284 -11.7105 -20.8171 -5.77633 -21.8887 -8.37762 TIMING: 1851200 CPU: 5903.75, 0.00316024/step Wall: 5903.75, 0.00316024/step, 2.76416 hours remaining, 240.242188 MB of memory in use. ENERGY: 1851200 3953.7676 20627.5490 14442.7326 235.6781 -203539.0196 2868.2357 0.0000 0.0000 51729.5277 -109681.5290 297.2903 -161411.0567 -109321.5632 298.5401 71.7422 104.3668 760087.6706 -3.5453 -3.3479 PRESSURE: 1851400 -346.422 -37.0509 -46.9991 -37.0508 5.10148 -112.29 -46.9997 -112.29 251.323 GPRESSURE: 1851400 -262.857 -34.2366 14.0311 -42.3051 -41.8438 -33.9333 -97.2657 -108.067 321.948 PRESSAVG: 1851400 39.5221 4.52366 -20.8344 4.52366 -34.2601 -0.612298 -20.8344 -0.612349 -5.80534 GPRESSAVG: 1851400 41.0499 4.58405 -21.1093 3.59835 -34.94 -1.2381 -23.4344 -0.467397 -6.39017 TIMING: 1851400 CPU: 5904.38, 0.00316231/step Wall: 5904.38, 0.00316231/step, 2.76579 hours remaining, 240.242188 MB of memory in use. ENERGY: 1851400 3963.8383 20614.1056 14580.5356 233.5576 -203635.9398 2694.7888 0.0000 0.0000 51961.2565 -109587.8574 298.6221 -161549.1139 -109224.9688 298.8838 -29.9993 5.7491 760954.2280 -0.1811 -0.0934 PRESSURE: 1851600 -12.7993 -19.5289 -155.997 -19.5289 -229.874 9.52652 -155.996 9.52527 201.682 GPRESSURE: 1851600 8.0178 -22.3311 -157.172 -41.9377 -226.851 -83.5677 -159.038 81.468 279.303 PRESSAVG: 1851600 67.1871 -40.373 -12.2082 -40.373 -22.2369 -45.0416 -12.2082 -45.0416 -0.464361 GPRESSAVG: 1851600 66.1808 -38.126 -13.2743 -38.9816 -21.1501 -44.117 -12.5126 -44.5856 -0.431078 TIMING: 1851600 CPU: 5905.01, 0.00316794/step Wall: 5905.01, 0.00316794/step, 2.77054 hours remaining, 240.242188 MB of memory in use. ENERGY: 1851600 3906.8874 20556.9685 14482.5360 246.4642 -203100.7879 2531.6146 0.0000 0.0000 51981.7429 -109394.5741 298.7398 -161376.3170 -109035.6446 299.7970 -13.6636 20.1563 761252.8307 14.8286 14.8665 PRESSURE: 1851800 327.159 -49.7133 166.359 -49.7136 -228.414 222.952 166.359 222.952 162.437 GPRESSURE: 1851800 254.061 -109.528 268.514 71.9204 -115.212 187.18 44.2894 50.8161 212.828 PRESSAVG: 1851800 84.3587 14.6385 -14.7422 14.6385 -63.8105 -19.4202 -14.7421 -19.4202 -19.7495 GPRESSAVG: 1851800 85.1263 13.2404 -13.7378 16.5748 -64.1887 -20.0274 -13.3802 -19.9848 -20.8008 TIMING: 1851800 CPU: 5905.64, 0.00314381/step Wall: 5905.64, 0.00314381/step, 2.74926 hours remaining, 240.242188 MB of memory in use. ENERGY: 1851800 4056.7948 20655.6157 14460.8799 254.9268 -203637.8118 2644.8382 0.0000 0.0000 52271.8128 -109292.9437 300.4068 -161564.7565 -108926.0001 299.5945 87.0609 117.2260 759612.0340 0.2662 0.0456 PRESSURE: 1852000 -451.588 -8.38377 -148.59 -8.38346 -118.521 98.375 -148.59 98.376 -64.4501 GPRESSURE: 1852000 -283.246 -45.863 -147.703 -24.0478 -150.987 81.4571 -101.775 68.1868 -123.481 PRESSAVG: 1852000 13.3288 -22.0595 -1.17054 -22.0596 -0.162721 62.9502 -1.1705 62.9502 9.58467 GPRESSAVG: 1852000 14.0739 -25.3146 -1.09296 -22.7939 -0.180244 63.9485 -2.87596 62.7449 9.06879 TIMING: 1852000 CPU: 5906.27, 0.00316551/step Wall: 5906.27, 0.00316551/step, 2.76807 hours remaining, 240.242188 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: 1852000 4022.0043 20587.0018 14539.0913 218.6000 -203556.4170 2464.2414 0.0000 0.0000 52360.9148 -109364.5634 300.9189 -161725.4782 -108997.9805 300.2916 -211.5198 -185.9048 761192.3532 7.5836 7.6542 PRESSURE: 1852200 304.1 -33.3193 214.141 -33.3197 373.392 -203.096 214.14 -203.096 383.426 GPRESSURE: 1852200 402.866 -180.233 275.919 -30.8789 318.872 -238.335 62.1584 -113.702 414.009 PRESSAVG: 1852200 -45.8474 21.8098 44.1844 21.8098 0.892349 3.42034 44.1843 3.42032 6.29625 GPRESSAVG: 1852200 -47.0437 23.5491 44.0362 23.4215 -0.0889532 3.15146 43.7174 4.78097 8.8299 TIMING: 1852200 CPU: 5906.91, 0.00317689/step Wall: 5906.91, 0.00317689/step, 2.77784 hours remaining, 240.242188 MB of memory in use. ENERGY: 1852200 4030.9775 20611.5590 14465.9317 254.1193 -203410.3880 2752.5409 0.0000 0.0000 52057.6465 -109237.6132 299.1760 -161295.2597 -108869.1283 300.0804 353.6394 378.5823 760534.6245 -12.8863 -12.7676 LDB: ============= START OF LOAD BALANCING ============== 5919.36 LDB: ============== END OF LOAD BALANCING =============== 5919.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5919.37 LDB: ============= START OF LOAD BALANCING ============== 5919.69 LDB: Largest compute 7034 load 0.036329 is 18.6% of average load 0.195170 LDB: Average compute 0.004411 is 2.3% of average load 0.195170 LDB: TIME 5919.69 LOAD: AVG 0.19517 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 5919.69 LOAD: AVG 0.19517 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.496 MB LDB: TIME 5919.69 LOAD: AVG 0.19517 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.496 MB LDB: ============== END OF LOAD BALANCING =============== 5919.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5919.7 PRESSURE: 1852400 191.285 -27.1337 -9.75876 -27.1338 -195.185 -147.55 -9.7577 -147.55 177.29 GPRESSURE: 1852400 101.378 30.5527 -31.7551 -78.2517 -56.8085 -110.732 -16.76 -210.801 216.468 PRESSAVG: 1852400 17.8049 22.2338 -4.34897 22.2338 -2.39301 -73.4577 -4.34895 -73.4578 15.6537 GPRESSAVG: 1852400 17.363 23.3625 -2.44082 20.5856 -1.6184 -73.6789 -2.4548 -73.2906 14.912 TIMING: 1852400 CPU: 5907.56, 0.00326133/step Wall: 5907.56, 0.00326133/step, 2.85149 hours remaining, 241.839844 MB of memory in use. ENERGY: 1852400 3950.4545 20546.7402 14495.3970 242.3105 -203054.3302 2469.8552 0.0000 0.0000 52077.5614 -109272.0114 299.2905 -161349.5729 -108905.3883 299.7258 57.7968 87.0126 761006.7499 10.3552 10.2188 PRESSURE: 1852600 195.138 36.4023 211.51 36.4021 122.856 -35.5774 211.51 -35.5769 477.418 GPRESSURE: 1852600 163.549 -18.7424 137.31 76.6733 244.2 -50.9533 233.841 -103.37 466.076 PRESSAVG: 1852600 11.7567 -1.51667 22.7517 -1.51667 -14.4576 -23.1187 22.7517 -23.1186 11.4695 GPRESSAVG: 1852600 11.6064 -2.57465 21.0373 -2.44472 -13.4516 -22.613 23.0935 -24.6445 10.8153 TIMING: 1852600 CPU: 5908.2, 0.00319545/step Wall: 5908.2, 0.00319545/step, 2.79371 hours remaining, 241.839844 MB of memory in use. ENERGY: 1852600 3904.4390 20471.4523 14486.0323 238.3839 -203359.2241 2688.2181 0.0000 0.0000 52159.8381 -109410.8604 299.7633 -161570.6984 -109042.5302 299.0375 265.1373 291.2749 759789.3852 2.9229 2.9900 PRESSURE: 1852800 -8.46519 -66.789 18.3677 -66.788 -323.723 64.9466 18.3674 64.9461 5.57254 GPRESSURE: 1852800 0.122957 23.1505 33.2818 47.9634 -316.744 -8.11297 33.7892 73.6148 66.5821 PRESSAVG: 1852800 37.9366 34.5784 4.82154 34.5784 -20.4628 29.528 4.82151 29.528 12.4926 GPRESSAVG: 1852800 38.265 35.6446 5.83178 36.0987 -21.6555 28.7467 2.58419 29.9775 13.5195 TIMING: 1852800 CPU: 5908.84, 0.00319734/step Wall: 5908.84, 0.00319734/step, 2.79519 hours remaining, 241.839844 MB of memory in use. ENERGY: 1852800 4004.1680 20586.5199 14504.3706 254.4201 -203142.6551 2574.4336 0.0000 0.0000 51678.8305 -109539.9124 296.9989 -161218.7429 -109179.4221 298.9228 -108.8720 -83.3463 762090.8383 9.9888 10.0430 PRESSURE: 1853000 -176.863 -27.7518 -84.5829 -27.7523 87.5322 -45.4211 -84.5835 -45.4209 165.198 GPRESSURE: 1853000 -93.4253 127.165 -87.1726 -4.83642 48.5644 -13.2926 4.13824 -56.7069 220.301 PRESSAVG: 1853000 52.8716 12.3701 -13.3382 12.37 -12.4103 66.5264 -13.3382 66.5263 -6.47297 GPRESSAVG: 1853000 54.0884 12.053 -14.9627 11.1879 -12.7479 66.4323 -10.6882 67.0526 -7.71449 TIMING: 1853000 CPU: 5909.48, 0.00318816/step Wall: 5909.48, 0.00318816/step, 2.78698 hours remaining, 241.839844 MB of memory in use. ENERGY: 1853000 4051.0238 20369.8340 14474.0975 241.5750 -203436.6090 2942.8754 0.0000 0.0000 51950.8332 -109406.3701 298.5622 -161357.2034 -109050.7141 298.7599 25.2891 58.4802 761208.7336 11.3294 11.2087 PRESSURE: 1853200 -9.53997 28.7174 201.266 28.7185 108.867 -87.9539 201.265 -87.955 491.123 GPRESSURE: 1853200 9.27406 -30.7412 271.999 9.0044 168.484 -31.7372 117.32 -230.144 513.224 PRESSAVG: 1853200 42.2133 -14.0833 -39.5135 -14.0833 -19.5752 12.5396 -39.5134 12.5396 -30.695 GPRESSAVG: 1853200 41.5495 -14.6051 -37.7842 -14.4954 -19.1422 12.9542 -42.422 9.16278 -30.5491 TIMING: 1853200 CPU: 5910.12, 0.00318932/step Wall: 5910.12, 0.00318932/step, 2.78782 hours remaining, 241.839844 MB of memory in use. ENERGY: 1853200 3996.8595 20453.5192 14500.3511 239.5805 -203497.7006 2704.2388 0.0000 0.0000 52067.4397 -109535.7120 299.2323 -161603.1516 -109180.4411 299.2029 196.8168 230.3273 759934.2149 -2.6857 -2.7139 PRESSURE: 1853400 90.0393 199.486 -94.7231 199.486 -224.791 38.9779 -94.7222 38.9774 -180.707 GPRESSURE: 1853400 91.2587 218.05 -111.131 220.059 -131.083 90.6479 -140.116 122.9 -185.572 PRESSAVG: 1853400 -21.0107 2.67355 12.2091 2.67351 16.8442 35.5839 12.2091 35.5839 20.2508 GPRESSAVG: 1853400 -21.0543 2.28941 12.1273 3.29145 16.1204 34.5408 13.6202 39.3539 21.0372 TIMING: 1853400 CPU: 5910.75, 0.00318455/step Wall: 5910.75, 0.00318455/step, 2.78348 hours remaining, 241.839844 MB of memory in use. ENERGY: 1853400 3981.6316 20400.0906 14515.7785 235.3813 -203382.9584 2539.2774 0.0000 0.0000 52208.7787 -109502.0203 300.0446 -161710.7990 -109136.3280 298.8415 -105.1529 -75.1320 760729.9183 5.3614 5.3677 PRESSURE: 1853600 63.2155 244.313 -25.9409 244.313 -363.552 -63.1973 -25.9409 -63.197 -321.139 GPRESSURE: 1853600 71.3391 175.107 -72.4291 149.175 -274.314 -28.5049 83.284 -115.269 -325.622 PRESSAVG: 1853600 29.1839 13.7943 -17.5875 13.7942 -4.21528 46.5193 -17.5875 46.5192 -14.9397 GPRESSAVG: 1853600 30.3172 13.9168 -19.47 11.7684 -3.9969 48.6963 -15.7548 45.5132 -15.5853 TIMING: 1853600 CPU: 5911.39, 0.00318115/step Wall: 5911.39, 0.00318115/step, 2.78033 hours remaining, 241.839844 MB of memory in use. ENERGY: 1853600 3996.0377 20391.2680 14440.2791 255.2757 -203115.2136 2318.6108 0.0000 0.0000 52182.9328 -109530.8096 299.8960 -161713.7424 -109167.2908 299.0290 -207.1584 -176.1990 761056.6452 3.3430 3.5783 PRESSURE: 1853800 -148.754 33.9493 -60.6705 33.9496 -368.746 -289.934 -60.6711 -289.935 21.1708 GPRESSURE: 1853800 -146.138 -25.2633 -27.0858 -46.231 -232.804 -288.92 24.1416 -375.993 -47.2701 PRESSAVG: 1853800 23.6823 4.79828 -17.5431 4.79834 -29.1836 7.88904 -17.5431 7.88912 -2.7811 GPRESSAVG: 1853800 22.621 4.24436 -16.9307 5.8336 -27.3286 5.15322 -20.4792 7.85653 -4.14016 TIMING: 1853800 CPU: 5912.03, 0.00318336/step Wall: 5912.03, 0.00318336/step, 2.78208 hours remaining, 241.839844 MB of memory in use. ENERGY: 1853800 3984.1224 20416.1389 14533.8387 240.0309 -202976.3237 2336.7834 0.0000 0.0000 52164.7925 -109300.6170 299.7918 -161465.4095 -108939.7183 299.0238 -165.4432 -142.0708 762143.9468 -2.7608 -2.9492 PRESSURE: 1854000 113.329 -78.6575 185.464 -78.6569 -43.9275 57.7651 185.464 57.7643 92.2875 GPRESSURE: 1854000 126.035 -5.21104 142.111 -121.791 -46.4068 -16.7696 91.6417 110.804 153.746 PRESSAVG: 1854000 6.75952 -29.8785 -10.5646 -29.8785 0.49585 -37.3385 -10.5647 -37.3386 7.39213 GPRESSAVG: 1854000 6.10678 -30.7743 -10.4595 -28.0291 -0.611987 -37.6934 -10.1982 -37.6814 9.2454 TIMING: 1854000 CPU: 5912.67, 0.00319727/step Wall: 5912.67, 0.00319727/step, 2.79406 hours remaining, 241.839844 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: 1854000 4036.4312 20440.7372 14463.5917 248.7552 -202901.7748 2465.1612 0.0000 0.0000 52052.5587 -109194.5396 299.1468 -161247.0983 -108834.1226 299.9523 53.8963 77.7913 762250.2005 4.8825 4.9134 PRESSURE: 1854200 -21.7201 120.976 252.844 120.976 -228.572 63.0036 252.844 63.003 379.834 GPRESSURE: 1854200 -18.571 93.9858 333.249 125.898 -156.554 28.5789 116.138 18.6136 394.67 PRESSAVG: 1854200 91.4614 -19.3913 -35.1343 -19.3913 -137.418 -32.8435 -35.1343 -32.8436 10.4366 GPRESSAVG: 1854200 91.7531 -18.5415 -35.6973 -19.5227 -137.28 -30.2884 -34.9004 -33.3399 9.62272 TIMING: 1854200 CPU: 5913.3, 0.00319595/step Wall: 5913.3, 0.00319595/step, 2.79273 hours remaining, 241.839844 MB of memory in use. ENERGY: 1854200 4010.5887 20541.4650 14507.5248 260.3260 -203132.1089 2448.3552 0.0000 0.0000 52158.7395 -109205.1096 299.7570 -161363.8491 -108844.9010 299.7901 43.1807 73.1815 760500.3044 -11.8398 -11.9679 PRESSURE: 1854400 158.411 78.6746 109.125 78.674 -389.691 -25.5543 109.125 -25.554 -206.921 GPRESSURE: 1854400 226.795 5.06152 124.663 29.6301 -383.923 13.8989 100.672 -70.0234 -198.906 PRESSAVG: 1854400 8.26989 45.2045 -56.235 45.2045 -50.2228 -64.8067 -56.235 -64.8067 -0.987964 GPRESSAVG: 1854400 7.89355 46.6381 -56.2572 43.2891 -49.736 -66.0567 -55.927 -64.6868 -0.899559 TIMING: 1854400 CPU: 5913.94, 0.00318381/step Wall: 5913.94, 0.00318381/step, 2.78194 hours remaining, 241.839844 MB of memory in use. ENERGY: 1854400 3924.9152 20555.2892 14472.5014 242.5688 -203046.9740 2339.4157 0.0000 0.0000 52243.8839 -109268.3997 300.2463 -161512.2837 -108895.4617 299.1502 -146.0671 -118.6779 760974.7514 -14.3136 -14.2474 PRESSURE: 1854600 -77.43 97.1574 -111.634 97.158 303.713 54.8198 -111.633 54.8199 -317.616 GPRESSURE: 1854600 -1.87018 157.273 -50.1447 186.989 248.558 -20.5995 -215.971 77.7118 -265.758 PRESSAVG: 1854600 47.7106 -1.25551 -28.1914 -1.25554 -44.0874 -6.05478 -28.1914 -6.05473 13.0482 GPRESSAVG: 1854600 48.1054 -1.46046 -29.42 -1.0948 -44.6512 -6.09605 -27.1978 -5.1877 12.6928 TIMING: 1854600 CPU: 5914.58, 0.00317304/step Wall: 5914.58, 0.00317304/step, 2.77236 hours remaining, 241.839844 MB of memory in use. ENERGY: 1854600 4002.2910 20562.1163 14465.6299 268.5299 -203358.2627 2550.2624 0.0000 0.0000 52367.6023 -109141.8309 300.9573 -161509.4332 -108773.2958 299.6649 -30.4443 -6.3569 760626.0965 5.5571 5.3823 PRESSURE: 1854800 -187.667 -11.5979 34.058 -11.5982 41.3047 0.45676 34.058 0.456788 21.9375 GPRESSURE: 1854800 -72.3667 1.71057 21.553 -108.984 74.7523 -70.7379 95.6142 -38.681 -43.9539 PRESSAVG: 1854800 48.6111 30.4249 -17.2936 30.4249 -8.17035 14.7234 -17.2936 14.7234 -20.9551 GPRESSAVG: 1854800 49.6472 29.2134 -15.2857 31.3268 -8.26829 15.5402 -17.6547 13.67 -21.4203 TIMING: 1854800 CPU: 5915.21, 0.00317826/step Wall: 5915.21, 0.00317826/step, 2.77674 hours remaining, 241.839844 MB of memory in use. ENERGY: 1854800 3973.9761 20607.5917 14556.6727 246.7817 -202993.0870 2055.3248 0.0000 0.0000 52200.4517 -109352.2884 299.9967 -161552.7401 -108985.4168 300.2051 -41.4749 -13.8561 760372.9636 6.4952 6.6529 PRESSURE: 1855000 103.251 196.097 -138.463 196.096 -86.4337 72.5144 -138.463 72.5161 -62.5725 GPRESSURE: 1855000 107.445 192.497 -114.298 173.728 -17.9796 89.7584 -108.981 114.921 -68.545 PRESSAVG: 1855000 19.7829 -24.0774 -75.6949 -24.0774 -36.9445 57.1082 -75.695 57.1082 -4.44323 GPRESSAVG: 1855000 20.264 -23.0656 -77.2097 -25.1519 -36.9666 55.8759 -75.6475 56.9159 -4.78299 TIMING: 1855000 CPU: 5915.85, 0.00316996/step Wall: 5915.85, 0.00316996/step, 2.76932 hours remaining, 241.839844 MB of memory in use. ENERGY: 1855000 3977.1973 20649.6962 14438.4578 250.3835 -203343.2542 2568.7641 0.0000 0.0000 52063.4398 -109395.3154 299.2093 -161458.7552 -109034.8126 299.5343 -15.2518 6.9735 759392.0361 -7.2016 -7.1619 PRESSURE: 1855200 -155.543 67.5273 9.55267 67.527 125.582 215.27 9.55285 215.27 -58.9725 GPRESSURE: 1855200 -57.7225 174.243 72.7292 0.289804 175.209 244.853 55.9088 272.568 -110.421 PRESSAVG: 1855200 42.6635 -56.1102 -55.7384 -56.1102 15.6032 18.8688 -55.7385 18.8687 -7.38479 GPRESSAVG: 1855200 41.8438 -56.8987 -54.3376 -54.5573 14.9242 19.9538 -56.5127 21.1151 -6.32695 TIMING: 1855200 CPU: 5916.48, 0.00317456/step Wall: 5916.48, 0.00317456/step, 2.77316 hours remaining, 241.839844 MB of memory in use. ENERGY: 1855200 4078.7154 20460.1789 14424.8877 257.4034 -203605.7221 2626.5228 0.0000 0.0000 52256.1348 -109501.8791 300.3167 -161758.0138 -109135.5807 300.0464 -29.6445 2.3552 760129.9016 16.9606 16.8137 PRESSURE: 1855400 270.989 154.755 -211.694 154.756 84.5089 173.279 -211.694 173.279 135.638 GPRESSURE: 1855400 241.812 175.918 -202.443 110.609 139.167 142.202 -113.12 -23.449 199.264 PRESSAVG: 1855400 14.7016 3.74045 5.13765 3.74036 33.9421 -60.8811 5.13769 -60.8811 14.2021 GPRESSAVG: 1855400 13.6012 5.82333 4.79733 2.95156 35.0367 -60.0564 6.59828 -63.8234 14.114 TIMING: 1855400 CPU: 5917.12, 0.00319061/step Wall: 5917.12, 0.00319061/step, 2.787 hours remaining, 241.839844 MB of memory in use. ENERGY: 1855400 3985.6393 20491.6226 14405.8657 243.9055 -203597.3574 2700.1796 0.0000 0.0000 52349.6009 -109420.5437 300.8539 -161770.1447 -109058.4550 299.5110 163.7120 193.4143 759653.2350 20.9486 20.9173 PRESSURE: 1855600 82.7268 18.065 64.8604 18.0651 -53.5132 -2.86198 64.8598 -2.86209 333.842 GPRESSURE: 1855600 50.8841 22.8452 -56.9532 -3.62442 -24.2478 -23.0048 53.3138 -46.8039 400.462 PRESSAVG: 1855600 9.88257 14.9778 -17.3519 14.9779 12.2526 13.1425 -17.3519 13.1425 19.3473 GPRESSAVG: 1855600 11.4429 13.2933 -17.8144 15.2879 10.4778 11.9277 -17.14 14.5276 18.9138 TIMING: 1855600 CPU: 5917.76, 0.00321364/step Wall: 5917.76, 0.00321364/step, 2.80694 hours remaining, 241.839844 MB of memory in use. ENERGY: 1855600 3905.3895 20665.8822 14518.7859 253.8599 -203217.3952 2407.7206 0.0000 0.0000 51940.1381 -109525.6190 298.5007 -161465.7571 -109162.9605 300.0838 121.0187 142.3663 762233.6158 13.8275 13.6115 PRESSURE: 1855800 -106.753 -21.191 -37.2004 -21.1911 105.458 238.936 -37.2003 238.936 228.637 GPRESSURE: 1855800 29.4194 52.3463 -13.0533 -212.405 143.847 186.149 10.6214 268.241 140.966 PRESSAVG: 1855800 10.3363 14.2976 -39.2433 14.2976 -9.92305 51.9093 -39.2433 51.9093 -39.9726 GPRESSAVG: 1855800 8.54389 14.2071 -39.4253 12.6707 -7.24549 51.6114 -38.182 51.3944 -40.6912 TIMING: 1855800 CPU: 5918.4, 0.00320919/step Wall: 5918.4, 0.00320919/step, 2.80287 hours remaining, 241.839844 MB of memory in use. ENERGY: 1855800 4015.4659 20569.2083 14444.4331 255.0873 -203516.4453 2680.9856 0.0000 0.0000 51921.4308 -109629.8344 298.3932 -161551.2651 -109271.5966 299.2317 75.7806 104.7442 760961.1365 -13.1865 -13.1309 PRESSURE: 1856000 -15.5389 23.8847 11.3914 23.8845 144.128 150.455 11.3911 150.456 145.025 GPRESSURE: 1856000 37.7769 -14.836 39.5833 104.724 126.113 142.95 -54.3312 103.613 205.012 PRESSAVG: 1856000 -3.98582 67.7334 -12.6698 67.7335 0.97833 32.9657 -12.6699 32.9657 8.49569 GPRESSAVG: 1856000 -1.4561 66.4664 -11.021 69.7494 -1.13531 31.6002 -16.3998 36.0817 8.88521 TIMING: 1856000 CPU: 5919.04, 0.00318321/step Wall: 5919.04, 0.00318321/step, 2.78 hours remaining, 241.839844 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: 1856000 4045.6318 20361.1914 14443.6263 242.2485 -203991.3681 2844.0811 0.0000 0.0000 52496.0080 -109558.5810 301.6953 -162054.5890 -109195.6195 299.4252 91.2047 122.9675 760547.3679 1.8294 2.0979 PRESSURE: 1856200 -442.963 -92.8956 -216.279 -92.8957 -92.7316 -123.219 -216.279 -123.22 141.729 GPRESSURE: 1856200 -410.238 -54.0772 -208.624 -92.9704 -17.6521 -102.034 -121.875 -108.527 109.358 PRESSAVG: 1856200 -9.09812 -4.7236 7.03468 -4.72359 34.2382 -19.9788 7.03471 -19.9788 -5.93654 GPRESSAVG: 1856200 -9.37672 -0.856356 5.50545 -6.3758 34.0935 -18.8342 8.16782 -21.3474 -5.32978 TIMING: 1856200 CPU: 5919.68, 0.00320573/step Wall: 5919.68, 0.00320573/step, 2.79949 hours remaining, 241.839844 MB of memory in use. ENERGY: 1856200 4008.1635 20393.3641 14474.4467 209.9442 -203344.5646 2559.0001 0.0000 0.0000 52026.8394 -109672.8065 298.9990 -161699.6459 -109299.4843 299.2360 -131.3217 -106.1775 762266.1503 6.4012 6.4623 LDB: ============= START OF LOAD BALANCING ============== 5932.14 LDB: ============== END OF LOAD BALANCING =============== 5932.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5932.14 LDB: ============= START OF LOAD BALANCING ============== 5932.46 LDB: Largest compute 7059 load 0.036149 is 18.5% of average load 0.195125 LDB: Average compute 0.004405 is 2.3% of average load 0.195125 LDB: TIME 5932.46 LOAD: AVG 0.195125 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.766 MB LDB: TIME 5932.46 LOAD: AVG 0.195125 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.766 MB LDB: TIME 5932.46 LOAD: AVG 0.195125 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.766 MB LDB: ============== END OF LOAD BALANCING =============== 5932.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5932.47 PRESSURE: 1856400 -209.404 -72.597 130.407 -72.5973 260.318 61.5153 130.407 61.5145 389.729 GPRESSURE: 1856400 -75.4164 -47.2479 149.652 -117.633 196.212 110.063 102.941 -25.9463 397.268 PRESSAVG: 1856400 22.7005 -13.6173 -58.2448 -13.6174 -41.7126 42.598 -58.2449 42.598 10.8853 GPRESSAVG: 1856400 22.4355 -16.001 -57.7797 -14.9262 -40.4301 45.7907 -57.9567 40.751 9.91745 TIMING: 1856400 CPU: 5920.33, 0.00326795/step Wall: 5920.33, 0.00326795/step, 2.85365 hours remaining, 239.562500 MB of memory in use. ENERGY: 1856400 3946.0011 20382.8655 14451.8698 259.8878 -203842.6464 2886.0017 0.0000 0.0000 52311.3528 -109604.6676 300.6341 -161916.0204 -109231.7068 299.6232 146.8811 172.6877 759973.7173 -2.7089 -2.6924 PRESSURE: 1856600 25.2061 -152.546 -78.7662 -152.546 -86.5056 -37.2713 -78.7663 -37.2697 -251.58 GPRESSURE: 1856600 13.5631 4.27912 -50.0803 -91.1698 -84.9778 -31.721 -97.2868 -29.3184 -159.533 PRESSAVG: 1856600 13.6531 3.24921 -50.3473 3.2492 -31.0331 2.52473 -50.3473 2.52473 -7.31596 GPRESSAVG: 1856600 11.649 6.08911 -49.4346 5.31092 -30.7808 1.36734 -49.7746 3.51851 -5.50438 TIMING: 1856600 CPU: 5920.98, 0.00323461/step Wall: 5920.98, 0.00323461/step, 2.82435 hours remaining, 239.765625 MB of memory in use. ENERGY: 1856600 4022.5139 20518.2717 14469.0483 239.4767 -203609.0087 2274.1951 0.0000 0.0000 52140.3819 -109945.1211 299.6515 -162085.5030 -109579.3803 299.2097 -104.2933 -76.9825 758864.2286 -8.2320 -8.2121 PRESSURE: 1856800 94.2679 10.1986 12.4122 10.1984 -197.107 -71.5274 12.4125 -71.5285 -313.815 GPRESSURE: 1856800 126.459 -132.791 23.3945 -83.992 -138.355 -88.3495 -0.753371 -137.594 -302.047 PRESSAVG: 1856800 -0.617982 -1.37772 -53.6274 -1.37771 10.3837 -22.8515 -53.6274 -22.8515 -12.5382 GPRESSAVG: 1856800 0.287081 -1.83073 -54.3324 -1.14839 10.3048 -23.4171 -54.3474 -22.3017 -12.8539 TIMING: 1856800 CPU: 5921.63, 0.00325271/step Wall: 5921.63, 0.00325271/step, 2.83998 hours remaining, 239.765625 MB of memory in use. ENERGY: 1856800 4076.0222 20552.5035 14452.3423 261.5685 -203537.3891 2472.8421 0.0000 0.0000 51734.9908 -109987.1197 297.3217 -161722.1105 -109634.0652 298.5108 -138.8847 -104.6480 760639.0117 -0.9242 -0.7540 PRESSURE: 1857000 48.8639 324.029 -37.935 324.029 -19.9236 125.288 -37.9345 125.288 -63.319 GPRESSURE: 1857000 175.279 186.184 -49.6144 317.474 -19.7095 159.124 -17.9224 140.974 -97.4342 PRESSAVG: 1857000 58.601 1.19367 -7.22237 1.19375 -65.612 -26.8198 -7.22239 -26.8198 4.80088 GPRESSAVG: 1857000 59.2971 -0.996897 -7.48383 0.608873 -65.909 -27.9859 -6.80972 -28.1211 4.27573 TIMING: 1857000 CPU: 5922.27, 0.00319127/step Wall: 5922.27, 0.00319127/step, 2.78615 hours remaining, 239.765625 MB of memory in use. ENERGY: 1857000 3977.9529 20468.6706 14396.7170 261.4388 -203541.6788 2561.7721 0.0000 0.0000 51951.2297 -109923.8977 298.5644 -161875.1274 -109566.1626 298.2514 -11.4596 19.3786 759249.7151 -0.7367 -0.7787 PRESSURE: 1857200 -219.932 159.191 141.912 159.19 -60.2152 -157.238 141.912 -157.238 -28.2197 GPRESSURE: 1857200 -148.14 59.6608 120.11 178.301 -56.5876 -118.554 65.595 -70.0518 -8.36744 PRESSAVG: 1857200 -10.2254 0.0635261 -42.4027 0.0635504 -46.8113 -0.525337 -42.4027 -0.525403 3.20095 GPRESSAVG: 1857200 -9.2402 0.401106 -43.0122 -0.362582 -47.6189 -0.19176 -42.5792 0.663488 2.6305 TIMING: 1857200 CPU: 5922.9, 0.00317038/step Wall: 5922.9, 0.00317038/step, 2.76774 hours remaining, 239.765625 MB of memory in use. ENERGY: 1857200 4007.6571 20636.4640 14520.5696 252.7852 -203559.3080 2557.4031 0.0000 0.0000 51968.7731 -109615.6559 298.6653 -161584.4291 -109256.7781 299.0216 -102.7890 -71.0318 760772.4805 -17.9452 -18.0762 PRESSURE: 1857400 -70.0934 174.661 -40.5914 174.662 60.3675 -15.741 -40.5912 -15.7414 223.818 GPRESSURE: 1857400 -10.6516 311.144 -22.6761 75.842 69.7694 31.6819 58.2813 -5.41409 222.071 PRESSAVG: 1857400 29.3763 -3.13783 -5.19451 -3.13781 17.9168 -66.1582 -5.19453 -66.1582 -14.9464 GPRESSAVG: 1857400 27.5153 -1.50117 -5.58421 -2.01261 18.5211 -65.4761 -4.38106 -67.0808 -14.0406 TIMING: 1857400 CPU: 5923.54, 0.00319104/step Wall: 5923.54, 0.00319104/step, 2.7856 hours remaining, 239.765625 MB of memory in use. ENERGY: 1857400 3946.1070 20562.1878 14502.1652 258.3247 -203689.3418 2654.3105 0.0000 0.0000 52121.7439 -109644.5028 299.5444 -161766.2467 -109276.1977 299.6074 71.3639 93.7295 758886.9783 10.7822 10.6653 PRESSURE: 1857600 -253.259 -18.3688 -240.216 -18.3698 131.86 142.226 -240.216 142.227 -48.9971 GPRESSURE: 1857600 -250.856 -125.937 -223.482 10.2854 173.03 176.698 -246.681 87.7852 -26.7211 PRESSAVG: 1857600 -7.42554 -45.0903 -6.84713 -45.0903 14.8043 0.230698 -6.84712 0.230669 13.8689 GPRESSAVG: 1857600 -6.99777 -46.808 -5.38932 -44.3698 13.2927 0.511312 -7.42315 0.575393 14.2278 TIMING: 1857600 CPU: 5924.19, 0.00323193/step Wall: 5924.19, 0.00323193/step, 2.82112 hours remaining, 239.765625 MB of memory in use. ENERGY: 1857600 3922.1824 20693.4072 14395.4324 237.5209 -203180.8202 2374.0276 0.0000 0.0000 52008.0563 -109550.1933 298.8910 -161558.2497 -109194.2716 298.8963 -56.7989 -34.8492 761838.1076 7.0826 6.8409 PRESSURE: 1857800 222.62 -50.0648 31.3992 -50.064 105.869 -16.1701 31.3997 -16.1704 -39.0048 GPRESSURE: 1857800 278.62 6.27551 62.2412 -101.854 81.6976 -30.7688 2.16129 -87.3766 13.1934 PRESSAVG: 1857800 -50.7283 -3.53569 -23.4864 -3.53562 47.9597 -8.67851 -23.4864 -8.67857 4.8922 GPRESSAVG: 1857800 -52.2709 -3.52365 -24.0189 -4.74322 48.7956 -10.1846 -22.3143 -9.24572 5.6836 TIMING: 1857800 CPU: 5924.83, 0.00320178/step Wall: 5924.83, 0.00320178/step, 2.79462 hours remaining, 239.765625 MB of memory in use. ENERGY: 1857800 3969.5183 20575.2062 14479.9550 269.9556 -203386.7065 2503.1940 0.0000 0.0000 52221.6116 -109367.2658 300.1183 -161588.8774 -108990.9431 299.2100 96.4948 124.5038 760942.4179 0.7079 0.7361 PRESSURE: 1858000 -233.378 70.5134 -114.321 70.514 44.2875 -328.433 -114.321 -328.434 -80.0904 GPRESSURE: 1858000 -143.999 -47.7457 -177.053 79.442 72.6033 -269.723 11.35 -321.363 -116.129 PRESSAVG: 1858000 2.67581 -32.3261 -2.10018 -32.3261 -69.7122 -34.9347 -2.10019 -34.9346 -17.1264 GPRESSAVG: 1858000 2.97359 -31.3473 -3.12916 -32.0834 -69.3429 -35.2784 -3.47406 -32.8472 -18.0653 TIMING: 1858000 CPU: 5925.47, 0.00318312/step Wall: 5925.47, 0.00318312/step, 2.77816 hours remaining, 239.765625 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: 1858000 4026.0823 20594.5868 14457.7064 243.2233 -202993.4841 2608.0627 0.0000 0.0000 51963.0360 -109100.7866 298.6323 -161063.8226 -108741.7654 299.8290 -89.7269 -62.5085 762028.6711 -28.0543 -28.1449 PRESSURE: 1858200 -146.575 -131.13 -114.655 -131.13 -239.794 -39.2818 -114.655 -39.282 -40.8764 GPRESSURE: 1858200 -145.157 -121.849 -73.3325 -218.466 -140.764 -70.2472 -33.7844 -143.905 -35.4207 PRESSAVG: 1858200 13.6688 -3.71148 12.8571 -3.71144 -29.175 -29.5792 12.8571 -29.5791 -14.9459 GPRESSAVG: 1858200 15.154 -4.21137 13.5619 -3.27458 -28.5918 -28.9631 14.2176 -30.8009 -16.2558 TIMING: 1858200 CPU: 5926.11, 0.00320084/step Wall: 5926.11, 0.00320084/step, 2.79344 hours remaining, 239.765625 MB of memory in use. ENERGY: 1858200 3986.6380 20666.3019 14553.9736 245.3155 -203378.9635 2499.2568 0.0000 0.0000 52234.2891 -109193.1887 300.1912 -161427.4778 -108827.2990 300.1595 -142.4150 -107.1139 761099.1149 -10.1507 -9.8979 PRESSURE: 1858400 289.114 -228.239 132.088 -228.239 -185.923 -10.8648 132.088 -10.8646 377.306 GPRESSURE: 1858400 236.904 -230.278 86.105 -166.733 -88.0576 -24.1224 142.737 -42.6292 412.997 PRESSAVG: 1858400 -5.50401 -46.8506 1.03034 -46.8506 15.5446 13.5182 1.03031 13.5182 5.16694 GPRESSAVG: 1858400 -5.62126 -47.997 0.271271 -45.898 14.9482 12.6736 0.5963 15.4739 6.10526 TIMING: 1858400 CPU: 5926.74, 0.00318453/step Wall: 5926.74, 0.00318453/step, 2.77904 hours remaining, 239.765625 MB of memory in use. ENERGY: 1858400 3980.2818 20473.5292 14490.9580 245.4905 -203105.2034 2473.8107 0.0000 0.0000 52148.3663 -109292.7669 299.6974 -161441.1332 -108942.3167 299.4902 160.1658 187.2811 761788.9207 5.0692 5.1441 PRESSURE: 1858600 -26.8937 159.941 5.03653 159.941 118.63 173.141 5.03588 173.141 174.498 GPRESSURE: 1858600 28.913 75.6051 69.8008 130.387 92.8713 131.242 -18.0452 85.9693 208.236 PRESSAVG: 1858600 51.1618 42.7411 5.66026 42.7411 -75.8568 -31.2598 5.66022 -31.2598 23.085 GPRESSAVG: 1858600 50.8214 45.7 4.36544 40.7439 -75.4082 -30.6923 6.7259 -33.9783 22.8347 TIMING: 1858600 CPU: 5927.38, 0.00318434/step Wall: 5927.38, 0.00318434/step, 2.77869 hours remaining, 239.765625 MB of memory in use. ENERGY: 1858600 3940.1230 20698.1788 14499.6883 247.6824 -203659.1536 2952.2445 0.0000 0.0000 52006.9694 -109314.2671 298.8848 -161321.2365 -108959.6671 299.6690 88.7449 110.0067 759067.8540 -0.5367 -0.5840 PRESSURE: 1858800 -185.03 -13.3992 52.4983 -13.3989 110.088 -58.2088 52.4984 -58.2094 245.304 GPRESSURE: 1858800 -82.9717 -60.7701 83.2557 -93.1488 101.825 10.7719 16.9871 19.2631 250.651 PRESSAVG: 1858800 16.507 -14.729 26.8509 -14.7291 -32.4508 -28.336 26.8509 -28.336 -1.5322 GPRESSAVG: 1858800 17.766 -13.7687 27.5565 -14.4688 -33.1327 -27.7752 28.6597 -28.1583 -1.31964 TIMING: 1858800 CPU: 5928.02, 0.00318718/step Wall: 5928.02, 0.00318718/step, 2.781 hours remaining, 239.765625 MB of memory in use. ENERGY: 1858800 3866.4345 20521.3355 14477.9589 262.3888 -203263.0001 2351.5703 0.0000 0.0000 52212.7818 -109570.5303 300.0676 -161783.3121 -109201.2564 299.6312 56.7872 89.8349 759081.5055 -5.8253 -5.5621 PRESSURE: 1859000 140.513 -77.8468 43.6254 -77.8479 -405.142 -14.658 43.6258 -14.6576 -258.275 GPRESSURE: 1859000 142.678 -12.3969 4.84588 -109.692 -355.614 -21.0997 -16.8017 -151.173 -231.523 PRESSAVG: 1859000 4.97226 -8.05067 -19.0242 -8.0507 -31.9834 -9.48717 -19.0241 -9.48718 6.26507 GPRESSAVG: 1859000 2.81171 -9.28416 -20.0987 -8.18279 -30.4104 -9.95375 -20.4203 -9.35832 6.8387 TIMING: 1859000 CPU: 5928.65, 0.00317859/step Wall: 5928.65, 0.00317859/step, 2.77332 hours remaining, 239.765625 MB of memory in use. ENERGY: 1859000 4061.4829 20595.9075 14386.0918 238.4459 -203416.5141 2664.5384 0.0000 0.0000 51774.5637 -109695.4838 297.5491 -161470.0476 -109337.7733 299.2859 -174.3015 -148.1531 760598.9702 -6.9153 -6.9200 PRESSURE: 1859200 -287.712 -177.374 -184.77 -177.374 -45.2286 -73.3088 -184.768 -73.3085 39.7234 GPRESSURE: 1859200 -302.806 -86.8264 -281.887 -176.302 -5.69639 -11.8779 -122.817 -77.7686 88.5119 PRESSAVG: 1859200 -29.5137 -41.153 19.5622 -41.153 11.0772 17.5788 19.5622 17.5788 41.6677 GPRESSAVG: 1859200 -27.7475 -39.6877 19.4019 -41.7853 9.59682 17.5339 20.3165 16.5259 41.4988 TIMING: 1859200 CPU: 5929.29, 0.00317895/step Wall: 5929.29, 0.00317895/step, 2.77346 hours remaining, 239.765625 MB of memory in use. ENERGY: 1859200 3951.9438 20515.9392 14446.3631 248.4493 -202701.2462 2225.6044 0.0000 0.0000 51571.0974 -109741.8491 296.3798 -161312.9464 -109384.5610 298.3848 -97.7389 -73.3300 759393.9136 7.7437 7.7827 PRESSURE: 1859400 243.367 74.2838 35.3444 74.2837 -190.497 -237.114 35.3439 -237.114 -227.086 GPRESSURE: 1859400 140.124 52.0566 14.1653 -20.3878 -88.6637 -227.085 38.6619 -116.827 -160.34 PRESSAVG: 1859400 56.6399 -90.6067 20.3154 -90.6067 -74.3251 -5.33904 20.3154 -5.33921 -7.53751 GPRESSAVG: 1859400 56.18 -91.948 21.4952 -91.6826 -74.0992 -4.236 19.1278 -3.63842 -7.56468 TIMING: 1859400 CPU: 5929.92, 0.00317196/step Wall: 5929.92, 0.00317196/step, 2.76718 hours remaining, 239.765625 MB of memory in use. ENERGY: 1859400 3942.3722 20511.8995 14463.4776 242.4580 -202992.6506 2360.0212 0.0000 0.0000 51958.0982 -109514.3239 298.6039 -161472.4221 -109161.1795 298.3303 -58.0723 -36.2934 762489.3642 -8.4076 -8.4946 PRESSURE: 1859600 48.7987 -73.4106 126.404 -73.4109 -553.201 -6.90635 126.405 -6.9075 -144.343 GPRESSURE: 1859600 65.4786 -119.459 166.33 -157.099 -486.359 -33.7538 44.1692 17.1195 -148.445 PRESSAVG: 1859600 5.22053 -22.9447 78.2398 -22.9447 -35.9742 8.20664 78.2398 8.20652 -14.5896 GPRESSAVG: 1859600 5.22004 -24.878 78.6797 -21.7256 -35.1011 8.96624 76.6859 7.20152 -14.9652 TIMING: 1859600 CPU: 5930.55, 0.00315107/step Wall: 5930.55, 0.00315107/step, 2.74878 hours remaining, 239.765625 MB of memory in use. ENERGY: 1859600 3977.8565 20430.0534 14468.9901 246.8220 -203042.0381 2410.1022 0.0000 0.0000 52087.4686 -109420.7452 299.3474 -161508.2138 -109049.1504 299.3491 -216.2485 -189.7753 761332.2386 -15.1144 -14.9488 PRESSURE: 1859800 -486.876 9.60837 -97.8442 9.60846 -213.166 21.5848 -97.8441 21.5855 -39.619 GPRESSURE: 1859800 -390.75 58.1954 -104.29 87.8495 -155.06 56.3068 32.9002 14.7891 -82.9701 PRESSAVG: 1859800 21.4655 -54.8453 -8.93642 -54.8453 -6.71628 -84.1835 -8.93647 -84.1835 7.2828 GPRESSAVG: 1859800 21.1259 -53.8641 -9.35038 -53.2429 -7.12159 -84.5418 -7.69928 -83.1776 8.27243 TIMING: 1859800 CPU: 5931.19, 0.00317432/step Wall: 5931.19, 0.00317432/step, 2.76889 hours remaining, 239.765625 MB of memory in use. ENERGY: 1859800 4039.0142 20348.8315 14413.7349 247.5726 -203199.5733 2427.8456 0.0000 0.0000 52265.8599 -109456.7146 300.3726 -161722.5745 -109090.4594 299.7587 -246.5538 -209.5932 761733.3712 7.3440 7.4256 PRESSURE: 1860000 250.828 -62.3373 -138.661 -62.3365 9.92858 9.29779 -138.661 9.2971 -156.171 GPRESSURE: 1860000 323.69 5.3279 -59.9877 -106.463 38.2666 2.66102 -73.3331 33.1367 -175.566 PRESSAVG: 1860000 -6.78582 -34.5504 -18.0899 -34.5504 -23.1183 -3.67331 -18.0899 -3.67329 8.24163 GPRESSAVG: 1860000 -5.99993 -35.0813 -18.4849 -35.6256 -22.1959 -4.86098 -16.325 -3.37676 6.65595 TIMING: 1860000 CPU: 5931.84, 0.00324131/step Wall: 5931.84, 0.00324131/step, 2.82714 hours remaining, 239.765625 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: 1860000 3966.9901 20472.5863 14437.9666 257.8294 -203258.6018 2773.0026 0.0000 0.0000 51993.8294 -109356.3976 298.8093 -161350.2269 -109001.0098 299.6529 34.8617 62.1301 762247.6189 -7.2208 -7.1800 PRESSURE: 1860200 -307.852 -24.969 150.076 -24.9685 242.333 -75.9757 150.076 -75.9758 348.515 GPRESSURE: 1860200 -205.453 -48.565 172.893 35.1047 175.372 -98.6298 240.726 -69.09 387.539 PRESSAVG: 1860200 60.6809 -38.766 36.0612 -38.766 -15.4176 -0.234642 36.0612 -0.234541 17.6923 GPRESSAVG: 1860200 60.3085 -39.3933 36.2278 -35.9248 -15.7017 0.32939 35.7955 -0.369453 18.337 TIMING: 1860200 CPU: 5932.48, 0.00319422/step Wall: 5932.48, 0.00319422/step, 2.78589 hours remaining, 239.765625 MB of memory in use. ENERGY: 1860200 3967.9638 20359.7872 14434.4535 231.8513 -202564.3286 2328.0588 0.0000 0.0000 51880.3397 -109361.8742 298.1570 -161242.2140 -109003.1602 299.1257 94.3324 119.1524 761747.9766 20.9852 20.9813 LDB: ============= START OF LOAD BALANCING ============== 5944.93 LDB: ============== END OF LOAD BALANCING =============== 5944.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5944.93 LDB: ============= START OF LOAD BALANCING ============== 5945.25 LDB: Largest compute 7034 load 0.036184 is 18.5% of average load 0.195094 LDB: Average compute 0.004415 is 2.3% of average load 0.195094 LDB: TIME 5945.25 LOAD: AVG 0.195094 MAX 0.215615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.023 MB LDB: TIME 5945.26 LOAD: AVG 0.195094 MAX 0.215615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.023 MB LDB: TIME 5945.26 LOAD: AVG 0.195094 MAX 0.215615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.023 MB LDB: ============== END OF LOAD BALANCING =============== 5945.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5945.26 PRESSURE: 1860400 -217.392 -457.063 142.299 -457.063 -436.84 35.111 142.299 35.1127 -45.8944 GPRESSURE: 1860400 -217.624 -421.12 94.7583 -364.847 -443.956 -47.2502 45.9709 90.7789 64.2623 PRESSAVG: 1860400 -25.4879 -85.6661 24.3202 -85.6662 59.8714 -15.9132 24.3202 -15.9132 -10.0426 GPRESSAVG: 1860400 -24.4923 -84.6379 24.23 -88.6815 59.1437 -14.7507 23.8909 -16.8133 -10.0378 TIMING: 1860400 CPU: 5933.13, 0.00325394/step Wall: 5933.13, 0.00325394/step, 2.83779 hours remaining, 240.406250 MB of memory in use. ENERGY: 1860400 3975.8692 20439.0244 14461.3280 242.1013 -202769.0558 2390.0578 0.0000 0.0000 51824.3923 -109436.2828 297.8355 -161260.6751 -109085.3083 299.1867 -233.3754 -199.1060 762491.6222 8.1137 8.2045 PRESSURE: 1860600 8.65054 -18.3675 -20.4326 -18.3669 184.523 13.9358 -20.433 13.9349 -62.1256 GPRESSURE: 1860600 68.1339 -21.9618 -9.296 -60.5739 239.771 52.1778 -112.224 -116.475 -91.8059 PRESSAVG: 1860600 -29.8217 -55.6652 20.4443 -55.6652 16.2038 -30.8701 20.4444 -30.8701 0.0737823 GPRESSAVG: 1860600 -30.3027 -56.9671 19.2703 -54.0994 17.344 -32.9068 19.0631 -30.9779 -0.265587 TIMING: 1860600 CPU: 5933.76, 0.00317809/step Wall: 5933.76, 0.00317809/step, 2.77147 hours remaining, 240.707031 MB of memory in use. ENERGY: 1860600 3949.1541 20409.3983 14580.3726 245.3625 -203074.7620 2614.4980 0.0000 0.0000 51936.8012 -109339.1753 298.4815 -161275.9765 -108970.5031 299.4958 43.6826 72.0331 761135.3315 -4.5147 -4.4081 PRESSURE: 1860800 -61.8923 -192.291 -87.7024 -192.291 -207.535 -1.35513 -87.7027 -1.35502 21.9217 GPRESSURE: 1860800 28.0467 -158.437 -59.5819 -212.111 -180.955 -60.4501 -44.2453 75.6013 -5.69385 PRESSAVG: 1860800 -29.0642 -57.0191 -4.28789 -57.0191 48.6676 -23.654 -4.28787 -23.6539 5.03692 GPRESSAVG: 1860800 -29.8713 -57.0053 -2.85253 -58.6933 47.7141 -23.3586 -5.52352 -23.8014 6.0597 TIMING: 1860800 CPU: 5934.4, 0.00319337/step Wall: 5934.4, 0.00319337/step, 2.78462 hours remaining, 240.773438 MB of memory in use. ENERGY: 1860800 4017.0819 20532.0843 14515.2933 251.6608 -202905.7777 2282.8959 0.0000 0.0000 52094.1082 -109212.6534 299.3856 -161306.7616 -108855.7258 299.6465 -82.5019 -52.8672 762132.6360 8.2134 7.9675 PRESSURE: 1861000 -413.024 99.4923 45.2504 99.4937 113.963 -149.888 45.25 -149.888 100.759 GPRESSURE: 1861000 -366.636 191.611 -11.0151 105.949 196.334 -204.959 -1.92512 -149.171 61.1578 PRESSAVG: 1861000 -33.5154 17.6684 2.47451 17.6684 3.25954 -2.7146 2.47448 -2.71465 15.0013 GPRESSAVG: 1861000 -33.5175 20.0067 0.894783 20.2858 4.47699 -2.06891 6.18947 -3.66332 14.2358 TIMING: 1861000 CPU: 5935.03, 0.00316811/step Wall: 5935.03, 0.00316811/step, 2.76241 hours remaining, 240.773438 MB of memory in use. ENERGY: 1861000 4001.8290 20443.0371 14440.4418 229.1055 -203575.6353 2985.7897 0.0000 0.0000 52395.4285 -109080.0037 301.1172 -161475.4322 -108726.6820 300.0987 -66.1009 -36.3816 762044.3399 -5.0849 -4.9349 PRESSURE: 1861200 -33.4761 -108.941 -126.776 -108.94 -82.1696 -72.6532 -126.776 -72.6539 -176.597 GPRESSURE: 1861200 1.28596 -57.2941 -112.37 -41.012 -98.2069 -194.887 -29.2664 46.5358 -99.2368 PRESSAVG: 1861200 -23.9669 -68.5329 30.6966 -68.5329 40.718 12.526 30.6967 12.526 33.9657 GPRESSAVG: 1861200 -24.3459 -70.4073 31.4824 -70.3719 39.9469 11.195 28.8788 14.2558 34.5839 TIMING: 1861200 CPU: 5935.67, 0.00317282/step Wall: 5935.67, 0.00317282/step, 2.76634 hours remaining, 240.773438 MB of memory in use. ENERGY: 1861200 3974.4788 20557.0882 14442.1483 270.9030 -202878.2281 2485.5639 0.0000 0.0000 52042.0243 -109106.0216 299.0862 -161148.0458 -108747.5382 300.0584 -97.4142 -65.3859 763517.1512 16.9056 16.7283 PRESSURE: 1861400 -194.574 10.8536 -27.8375 10.8531 8.71916 28.1345 -27.8369 28.1347 191.036 GPRESSURE: 1861400 -183.383 -29.0356 -66.4692 -45.6292 177.144 75.028 -68.4925 133.583 94.9633 PRESSAVG: 1861400 -7.92051 -25.5057 31.0226 -25.5058 -21.5941 38.1502 31.0225 38.1502 36.1049 GPRESSAVG: 1861400 -7.83331 -27.5465 31.227 -23.7553 -20.7202 38.3534 32.8944 36.8915 34.41 TIMING: 1861400 CPU: 5936.3, 0.00317335/step Wall: 5936.3, 0.00317335/step, 2.76663 hours remaining, 240.773438 MB of memory in use. ENERGY: 1861400 4034.9116 20658.6528 14383.7959 247.5890 -203195.9894 2559.9882 0.0000 0.0000 51992.0393 -109319.0126 298.7990 -161311.0519 -108958.9137 299.3756 1.7269 29.5750 762132.4830 2.1967 1.9522 PRESSURE: 1861600 144.044 -129.006 139.425 -129.006 117.481 -6.03643 139.424 -6.03694 -182.8 GPRESSURE: 1861600 249.476 -150.42 172.913 -182.998 90.5755 42.9155 178.395 -211.354 -178.642 PRESSAVG: 1861600 -2.66726 -39.3172 17.0725 -39.3172 39.431 -27.1485 17.0724 -27.1485 -1.97142 GPRESSAVG: 1861600 -3.35674 -37.0592 16.5925 -39.5747 38.2064 -28.4765 15.8778 -25.396 -0.0402689 TIMING: 1861600 CPU: 5936.94, 0.00316199/step Wall: 5936.94, 0.00316199/step, 2.75655 hours remaining, 240.914062 MB of memory in use. ENERGY: 1861600 4042.1795 20440.3458 14492.2781 251.2242 -202932.7739 2348.1133 0.0000 0.0000 52041.0259 -109317.6071 299.0805 -161358.6330 -108951.8716 299.1403 26.2417 53.8032 760520.9928 11.5974 11.6031 PRESSURE: 1861800 152.45 145.966 -73.186 145.966 197.316 41.0719 -73.1855 41.072 131.619 GPRESSURE: 1861800 123.751 186.468 -2.23905 205.252 166.744 79.1002 -224.727 -76.8535 278.675 PRESSAVG: 1861800 17.0252 -5.90547 -2.12611 -5.90549 -0.501673 -11.5609 -2.1261 -11.5609 11.3971 GPRESSAVG: 1861800 15.9353 -4.9197 -1.28863 -8.23332 0.856399 -10.2951 -3.57288 -14.3745 10.6071 TIMING: 1861800 CPU: 5937.57, 0.00318391/step Wall: 5937.57, 0.00318391/step, 2.77548 hours remaining, 240.914062 MB of memory in use. ENERGY: 1861800 3914.1874 20427.2511 14562.2769 243.6459 -203094.0914 2379.5112 0.0000 0.0000 52072.6196 -109494.5993 299.2621 -161567.2189 -109130.8268 299.3743 160.4615 189.7234 760411.4148 9.3069 9.1329 PRESSURE: 1862000 -128.117 -54.929 -378.036 -54.9298 106.235 -93.8162 -378.037 -93.8164 -52.8549 GPRESSURE: 1862000 -85.14 -100.67 -426.801 63.859 89.3969 -101.802 -372.525 -47.9048 5.33927 PRESSAVG: 1862000 32.7504 -33.7484 -12.8388 -33.7484 6.16332 44.3828 -12.8388 44.3829 18.6929 GPRESSAVG: 1862000 34.932 -32.3319 -11.6938 -33.2034 5.00462 44.3066 -12.0904 44.5288 17.9999 TIMING: 1862000 CPU: 5938.21, 0.00317616/step Wall: 5938.21, 0.00317616/step, 2.76855 hours remaining, 240.914062 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: 1862000 3997.6814 20404.5940 14486.3444 243.3923 -203221.8039 2361.8452 0.0000 0.0000 52033.0649 -109694.8819 299.0347 -161727.9467 -109337.7555 298.9341 -24.9121 3.1987 760735.6459 19.2022 19.3122 PRESSURE: 1862200 25.2037 42.9269 175.383 42.9261 -371.55 19.7922 175.384 19.7934 60.1803 GPRESSURE: 1862200 -16.0974 151.314 235.368 -78.3971 -273.294 45.0021 167.234 37.7026 92.0404 PRESSAVG: 1862200 10.9625 -4.92962 -6.60031 -4.92961 -48.9564 8.36916 -6.6003 8.36921 0.292132 GPRESSAVG: 1862200 9.61849 -6.05999 -7.91067 -4.81774 -48.8033 7.01192 -6.42191 8.87893 0.659385 TIMING: 1862200 CPU: 5938.84, 0.00317924/step Wall: 5938.84, 0.00317924/step, 2.77106 hours remaining, 240.914062 MB of memory in use. ENERGY: 1862200 3945.3247 20455.4007 14543.4948 246.9889 -203343.9453 2272.5855 0.0000 0.0000 52214.2770 -109665.8737 300.0762 -161880.1507 -109313.8198 298.7081 -95.3885 -65.7837 761506.2446 -12.5673 -12.8418 PRESSURE: 1862400 180.656 -388.912 16.8065 -388.913 -354.683 -74.5683 16.8063 -74.5687 286.027 GPRESSURE: 1862400 282.848 -382.331 19.2437 -362.436 -296.682 -8.70816 0.104442 -145.081 242.534 PRESSAVG: 1862400 101.49 -36.1103 -25.013 -36.1103 -74.0399 -14.0264 -25.013 -14.0263 7.04323 GPRESSAVG: 1862400 102.528 -35.5421 -23.9682 -36.2215 -74.4055 -11.7081 -25.0318 -13.4509 6.56503 TIMING: 1862400 CPU: 5939.48, 0.00318489/step Wall: 5939.48, 0.00318489/step, 2.77581 hours remaining, 240.914062 MB of memory in use. ENERGY: 1862400 3946.7935 20518.0406 14460.7353 239.9889 -203399.5497 2563.9415 0.0000 0.0000 52078.9198 -109591.1301 299.2983 -161670.0498 -109237.3515 299.3305 37.3333 76.2332 760615.1331 11.4976 11.5623 PRESSURE: 1862600 -143.84 -21.6724 -7.78112 -21.6714 82.4265 236.775 -7.78016 236.774 21.8853 GPRESSURE: 1862600 -132.709 76.4908 -62.9936 58.9898 97.0392 139.593 112.611 150.514 65.0082 PRESSAVG: 1862600 34.8336 -27.2377 -15.6418 -27.2378 -18.6786 3.54312 -15.6418 3.54311 -7.66943 GPRESSAVG: 1862600 34.1058 -28.4973 -15.8948 -25.8959 -17.5618 1.56459 -16.2411 3.67131 -7.87715 TIMING: 1862600 CPU: 5940.11, 0.00316928/step Wall: 5940.11, 0.00316929/step, 2.76203 hours remaining, 240.914062 MB of memory in use. ENERGY: 1862600 3992.4953 20583.3087 14488.9377 243.1861 -203463.4408 2560.6986 0.0000 0.0000 51975.2487 -109619.5656 298.7025 -161594.8143 -109267.6689 298.9282 -13.1762 9.7795 759909.5306 2.8285 2.8889 PRESSURE: 1862800 328.29 278.864 -71.2932 278.863 -116.568 -41.145 -71.2932 -41.1434 223.239 GPRESSURE: 1862800 270.544 78.1005 -60.7056 258.756 38.1423 -78.7572 -24.6217 -61.712 221.158 PRESSAVG: 1862800 19.0076 48.6049 -84.3155 48.6048 6.50055 2.22613 -84.3155 2.22609 6.29945 GPRESSAVG: 1862800 18.8717 48.7563 -83.9924 47.1541 6.19115 3.57694 -83.9554 2.60284 6.6761 TIMING: 1862800 CPU: 5940.75, 0.00315376/step Wall: 5940.75, 0.00315376/step, 2.74832 hours remaining, 240.914062 MB of memory in use. ENERGY: 1862800 3974.3402 20470.0078 14439.4643 233.5217 -203523.7220 2585.6552 0.0000 0.0000 52319.3095 -109501.4232 300.6798 -161820.7327 -109139.8323 299.2038 144.9869 176.6149 761259.9368 10.6025 10.5797 PRESSURE: 1863000 32.9647 -113.207 14.3599 -113.207 -99.8901 -107.652 14.3601 -107.652 -297.44 GPRESSURE: 1863000 39.9792 -91.8017 -91.0653 -137.869 -78.0456 -95.9983 59.0042 13.5537 -226.798 PRESSAVG: 1863000 9.46015 13.6301 -22.8403 13.6301 -5.3708 -15.794 -22.8403 -15.794 -10.3197 GPRESSAVG: 1863000 10.1332 14.3997 -23.2338 14.3114 -5.69459 -16.4917 -20.8051 -15.0421 -10.8354 TIMING: 1863000 CPU: 5941.38, 0.00316933/step Wall: 5941.38, 0.00316933/step, 2.76172 hours remaining, 240.914062 MB of memory in use. ENERGY: 1863000 4081.8912 20520.6058 14486.0722 232.9465 -203614.0495 2705.0999 0.0000 0.0000 52298.1159 -109289.3180 300.5580 -161587.4340 -108921.6539 299.6895 -121.4551 -88.2880 761103.8390 -2.0768 -2.1323 PRESSURE: 1863200 280.691 156.298 81.3453 156.298 31.6843 -95.4831 81.3453 -95.4827 35.8396 GPRESSURE: 1863200 235.525 142.166 87.5128 138.487 119.296 29.2529 111.801 -91.047 110.883 PRESSAVG: 1863200 91.8256 -17.1319 -51.4474 -17.1319 -61.0262 78.3016 -51.4474 78.3016 28.2421 GPRESSAVG: 1863200 90.8504 -17.6786 -51.7813 -18.1128 -60.6457 79.4534 -51.4093 77.3361 28.5261 TIMING: 1863200 CPU: 5942.01, 0.00317582/step Wall: 5942.01, 0.00317582/step, 2.7672 hours remaining, 240.914062 MB of memory in use. ENERGY: 1863200 3941.9331 20499.2071 14460.4319 241.5596 -203645.5323 2848.0808 0.0000 0.0000 52307.8364 -109346.4835 300.6139 -161654.3199 -108981.4254 299.5153 116.0717 155.2345 760236.0444 19.6805 19.5769 PRESSURE: 1863400 70.1906 50.0656 -23.3683 50.0652 -246.504 -117.274 -23.3691 -117.274 428.276 GPRESSURE: 1863400 120.698 30.7687 -32.9138 9.99234 -153.335 -77.4299 -87.0754 -30.6933 403.449 PRESSAVG: 1863400 58.876 -31.0191 -44.4659 -31.0191 -16.8693 -10.1094 -44.4658 -10.1094 -10.6166 GPRESSAVG: 1863400 58.3979 -29.9227 -45.2088 -32.0907 -16.6717 -10.9443 -45.3579 -7.86274 -10.0127 TIMING: 1863400 CPU: 5942.64, 0.0031469/step Wall: 5942.64, 0.0031469/step, 2.74183 hours remaining, 240.914062 MB of memory in use. ENERGY: 1863400 3866.3295 20388.2826 14418.4066 252.3578 -203242.0837 2773.2780 0.0000 0.0000 52097.1689 -109446.2604 299.4031 -161543.4293 -109082.4881 299.0780 83.9875 123.6040 763273.9302 10.4634 10.5712 PRESSURE: 1863600 36.2841 -171.66 182.563 -171.66 -71.511 46.6403 182.563 46.6397 153.153 GPRESSURE: 1863600 8.77265 -210.951 257.06 -90.0411 41.4832 57.8477 265.092 112.201 142.31 PRESSAVG: 1863600 -2.34865 35.9505 22.916 35.9505 -20.3793 -9.99745 22.916 -9.99755 10.9276 GPRESSAVG: 1863600 -1.44022 34.0937 22.8537 37.137 -21.0103 -10.0745 22.6816 -11.5502 10.0766 TIMING: 1863600 CPU: 5943.28, 0.00315852/step Wall: 5943.28, 0.00315852/step, 2.75177 hours remaining, 240.914062 MB of memory in use. ENERGY: 1863600 4026.1954 20532.6772 14435.1821 256.6898 -203445.9888 2637.7558 0.0000 0.0000 52132.3513 -109425.1372 299.6053 -161557.4885 -109064.8465 298.8798 39.3087 64.1887 759094.9294 -3.9334 -4.1247 PRESSURE: 1863800 335.354 235.835 59.4379 235.835 -87.2789 83.0791 59.439 83.0787 811.276 GPRESSURE: 1863800 383.498 200.101 74.8261 184.983 -50.5967 150.448 16.5476 -19.8264 814.602 PRESSAVG: 1863800 12.5771 -28.6227 -10.1354 -28.6227 -7.89609 1.12699 -10.1354 1.12694 2.86635 GPRESSAVG: 1863800 11.9452 -26.6875 -9.93017 -29.9479 -8.4543 2.31047 -8.7868 2.82127 3.88524 TIMING: 1863800 CPU: 5943.91, 0.00316023/step Wall: 5943.91, 0.00316023/step, 2.75309 hours remaining, 240.914062 MB of memory in use. ENERGY: 1863800 3868.4209 20387.1038 14423.7277 244.2137 -203541.5485 2794.8336 0.0000 0.0000 52628.1110 -109195.1378 302.4545 -161823.2488 -108832.8518 299.5789 353.1171 382.5011 759392.3533 2.5158 2.4587 PRESSURE: 1864000 105.676 110.431 145.979 110.431 280.756 -61.0527 145.98 -61.0528 -63.505 GPRESSURE: 1864000 162.389 136.662 175.126 139.031 260.748 -90.6529 103.698 -27.2649 1.04513 PRESSAVG: 1864000 -17.3263 -14.9501 16.711 -14.9501 -1.4389 16.0199 16.711 16.02 2.94871 GPRESSAVG: 1864000 -17.6848 -15.9607 18.1149 -13.0605 -0.975392 14.8078 16.0628 13.6163 2.83518 TIMING: 1864000 CPU: 5944.54, 0.00316981/step Wall: 5944.54, 0.00316981/step, 2.76126 hours remaining, 240.914062 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: 1864000 3984.8673 20523.2099 14449.5433 255.3059 -203266.6273 2809.5665 0.0000 0.0000 51938.3086 -109305.8258 298.4902 -161244.1344 -108959.6895 300.3054 107.6424 141.3941 762263.9458 -5.2722 -5.2750 PRESSURE: 1864200 102.948 297.118 -116.946 297.118 88.676 200.923 -116.946 200.924 293.537 GPRESSURE: 1864200 135.682 361.077 -47.3192 277.237 195.066 192.586 -197.561 118.47 222.648 PRESSAVG: 1864200 32.0852 5.32927 -13.0934 5.32924 -39.0379 17.7863 -13.0933 17.7863 34.2215 GPRESSAVG: 1864200 33.8035 7.43417 -13.7988 4.54583 -39.6453 15.4551 -13.7588 19.837 33.3126 TIMING: 1864200 CPU: 5945.17, 0.00315654/step Wall: 5945.17, 0.00315654/step, 2.74952 hours remaining, 240.902344 MB of memory in use. ENERGY: 1864200 4017.5420 20433.7735 14523.4158 224.0328 -203588.7530 2900.1111 0.0000 0.0000 52271.0807 -109218.7969 300.4026 -161489.8777 -108857.6389 300.0124 161.7202 184.4655 760544.6742 9.0896 9.1569 LDB: ============= START OF LOAD BALANCING ============== 5957.63 LDB: ============== END OF LOAD BALANCING =============== 5957.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5957.63 LDB: ============= START OF LOAD BALANCING ============== 5957.95 LDB: Largest compute 7070 load 0.036979 is 19.0% of average load 0.195096 LDB: Average compute 0.004410 is 2.3% of average load 0.195096 LDB: TIME 5957.95 LOAD: AVG 0.195096 MAX 0.215179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.078 MB LDB: TIME 5957.95 LOAD: AVG 0.195096 MAX 0.215179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.172 MB LDB: TIME 5957.95 LOAD: AVG 0.195096 MAX 0.215179 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.172 MB LDB: ============== END OF LOAD BALANCING =============== 5957.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5957.96 PRESSURE: 1864400 -387.481 108.657 -4.11877 108.657 108.787 -276.89 -4.11867 -276.891 -157.213 GPRESSURE: 1864400 -376.963 97.1171 -16.9169 121.753 138.952 -197.645 -57.6974 -200.589 -103.056 PRESSAVG: 1864400 -10.8114 -24.7636 -7.42237 -24.7635 -5.89661 30.9181 -7.42242 30.9182 -20.889 GPRESSAVG: 1864400 -11.6609 -27.6053 -8.79755 -24.1696 -5.86716 33.6721 -6.77184 30.6932 -20.0461 TIMING: 1864400 CPU: 5945.83, 0.00326296/step Wall: 5945.83, 0.00326296/step, 2.84204 hours remaining, 240.105469 MB of memory in use. ENERGY: 1864400 4041.7709 20527.9209 14436.3541 261.6955 -203238.7864 2630.9551 0.0000 0.0000 52323.9167 -109016.1732 300.7063 -161340.0899 -108654.6344 300.2525 -145.3025 -113.6889 761436.7936 -12.5323 -12.5247 PRESSURE: 1864600 -114.811 4.90858 -11.9234 4.90782 235.878 87.137 -11.9229 87.1358 330.77 GPRESSURE: 1864600 -62.1339 -69.4676 81.8963 -0.167635 295.798 96.8199 16.8448 164.863 293.233 PRESSAVG: 1864600 4.88263 -27.4457 29.5583 -27.4458 35.3263 13.7923 29.5583 13.7922 8.19801 GPRESSAVG: 1864600 3.66019 -27.9469 30.9241 -26.217 36.8135 12.4681 28.3002 13.4823 7.55908 TIMING: 1864600 CPU: 5946.47, 0.00320069/step Wall: 5946.47, 0.00320069/step, 2.78763 hours remaining, 240.105469 MB of memory in use. ENERGY: 1864600 3984.1921 20444.5933 14460.9108 234.6815 -203004.2434 2617.9614 0.0000 0.0000 51964.3644 -109297.5397 298.6399 -161261.9042 -108939.6474 299.8302 150.6126 175.6324 762237.1492 16.1356 16.0109 PRESSURE: 1864800 -294.928 23.2928 177.209 23.292 -97.347 -158.677 177.209 -158.678 61.2316 GPRESSURE: 1864800 -160.183 -82.0181 203.068 -21.1519 -170.081 -165.185 48.3176 -113.597 73.1415 PRESSAVG: 1864800 -41.8224 -46.0524 29.2104 -46.0523 34.2996 -25.6918 29.2104 -25.6918 19.6957 GPRESSAVG: 1864800 -41.2711 -45.6863 29.5944 -46.2971 32.6762 -25.3378 29.8642 -24.2915 20.0956 TIMING: 1864800 CPU: 5947.11, 0.00320516/step Wall: 5947.11, 0.00320516/step, 2.79134 hours remaining, 240.105469 MB of memory in use. ENERGY: 1864800 4020.6514 20648.0446 14458.0626 256.7450 -203317.4254 2600.3035 0.0000 0.0000 52148.2971 -109185.3212 299.6970 -161333.6183 -108832.6911 299.7296 -110.3476 -85.7074 761193.1908 4.0576 3.8336 PRESSURE: 1865000 31.8127 -266.732 46.2587 -266.732 -93.9849 -244.46 46.2587 -244.46 -251.062 GPRESSURE: 1865000 105.727 -156.406 -52.5877 -273.87 1.78369 -248.494 107.325 -159.433 -325.005 PRESSAVG: 1865000 -43.5414 -23.1939 -10.9043 -23.1938 66.172 6.53149 -10.9043 6.53153 7.70584 GPRESSAVG: 1865000 -44.0777 -21.9187 -11.7366 -24.806 66.498 7.10464 -9.97368 5.94613 7.73796 TIMING: 1865000 CPU: 5947.75, 0.00320178/step Wall: 5947.75, 0.00320178/step, 2.78821 hours remaining, 240.105469 MB of memory in use. ENERGY: 1865000 4051.6682 20578.4547 14515.8047 251.8676 -203241.6081 2447.0107 0.0000 0.0000 52337.1606 -109059.6417 300.7824 -161396.8023 -108706.5752 300.0952 -104.4116 -72.4979 760378.1812 10.1122 10.0527 PRESSURE: 1865200 -220.666 10.9405 -89.4171 10.9413 -307.665 -113.549 -89.418 -113.55 -429.44 GPRESSURE: 1865200 -294.448 85.9115 -103.371 67.5021 -242.053 -46.4081 -166.267 -82.4609 -337.063 PRESSAVG: 1865200 19.6926 -15.9309 -69.1944 -15.9308 -7.62641 -71.7161 -69.1944 -71.7161 -1.52158 GPRESSAVG: 1865200 21.671 -15.7237 -68.0497 -15.3023 -8.12472 -71.5083 -71.8192 -73.0912 -2.90802 TIMING: 1865200 CPU: 5948.38, 0.0031858/step Wall: 5948.38, 0.0031858/step, 2.77413 hours remaining, 240.105469 MB of memory in use. ENERGY: 1865200 4005.1216 20589.4895 14499.0589 251.1191 -203003.9426 2287.0100 0.0000 0.0000 52318.8386 -109053.3050 300.6771 -161372.1436 -108695.3323 300.6449 -319.2569 -291.1881 759953.6833 3.5149 3.5461 PRESSURE: 1865400 176.751 -17.4228 25.4666 -17.422 -118.915 -80.865 25.4668 -80.8634 -130.935 GPRESSURE: 1865400 50.2752 128.443 71.3638 -43.4362 37.7208 -71.3155 123.234 -125.019 -77.7783 PRESSAVG: 1865400 8.30791 -4.02884 16.1536 -4.02882 6.19694 -15.49 16.1536 -15.4899 -11.1747 GPRESSAVG: 1865400 7.62389 -4.39591 16.9069 -2.22687 5.55413 -16.2621 16.8332 -13.9257 -9.91739 TIMING: 1865400 CPU: 5949.02, 0.00318258/step Wall: 5949.02, 0.00318258/step, 2.77114 hours remaining, 240.105469 MB of memory in use. ENERGY: 1865400 3989.6289 20543.7791 14535.9104 232.8605 -203251.5050 2699.8121 0.0000 0.0000 52221.6744 -109027.8396 300.1187 -161249.5140 -108673.3823 300.5186 -24.3666 3.4059 760409.2183 1.1100 1.0869 PRESSURE: 1865600 163.734 -91.1503 51.763 -91.1494 -94.0417 -29.7549 51.7636 -29.7537 -295.396 GPRESSURE: 1865600 178.411 -210.927 -24.9143 -151.449 -25.4271 -42.0364 57.7489 30.4739 -281.613 PRESSAVG: 1865600 -10.266 -46.4204 41.4194 -46.4204 31.5974 13.8739 41.4194 13.8739 9.95536 GPRESSAVG: 1865600 -10.7296 -48.7095 40.8138 -47.7575 32.4866 13.696 43.621 12.8823 9.95455 TIMING: 1865600 CPU: 5949.65, 0.00316663/step Wall: 5949.65, 0.00316663/step, 2.75708 hours remaining, 240.105469 MB of memory in use. ENERGY: 1865600 3984.6827 20459.1747 14579.8344 248.7728 -203072.5519 2341.7974 0.0000 0.0000 52141.8692 -109316.4207 299.6600 -161458.2899 -108956.4922 300.2900 -75.2344 -42.8762 760863.9123 10.4289 10.5705 PRESSURE: 1865800 209.945 -101.973 5.34994 -101.974 63.236 -40.3509 5.35044 -40.3503 -293.602 GPRESSURE: 1865800 154.055 -37.3729 -38.4586 -114.581 70.9747 -69.1217 32.4996 -95.5232 -166.264 PRESSAVG: 1865800 -6.06361 -48.2012 -24.7287 -48.2012 47.5722 -3.17437 -24.7287 -3.17435 -22.5427 GPRESSAVG: 1865800 -5.05564 -48.2983 -25.4814 -47.3402 46.486 -3.57068 -24.8997 -3.19125 -22.4931 TIMING: 1865800 CPU: 5950.29, 0.00315907/step Wall: 5950.29, 0.00315907/step, 2.75032 hours remaining, 240.105469 MB of memory in use. ENERGY: 1865800 4005.1131 20481.0979 14520.7630 249.9149 -203266.7755 2425.2808 0.0000 0.0000 52267.4076 -109317.1981 300.3815 -161584.6058 -108959.5204 299.9108 -6.8070 19.5886 760077.4518 6.3219 6.3124 PRESSURE: 1866000 -188.193 19.665 -14.2773 19.6645 34.5064 -120.697 -14.2775 -120.697 91.3531 GPRESSURE: 1866000 -239.26 61.3161 -10.3863 68.1557 177.573 -124.752 -2.89983 -100.591 92.1727 PRESSAVG: 1866000 -74.2869 -51.8748 5.11415 -51.8748 90.1734 20.5877 5.11417 20.5877 5.83458 GPRESSAVG: 1866000 -77.2295 -50.7204 6.51232 -51.5703 92.8237 20.9616 4.70581 19.6224 6.06657 TIMING: 1866000 CPU: 5950.92, 0.00319465/step Wall: 5950.92, 0.00319465/step, 2.78112 hours remaining, 240.105469 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: 1866000 3973.5867 20693.5260 14520.1855 229.8225 -203710.7327 2669.3513 0.0000 0.0000 52184.5179 -109439.7428 299.9051 -161624.2606 -109080.5262 299.9598 -20.7779 10.1616 759887.3296 7.2404 7.2203 PRESSURE: 1866200 255.532 105.852 -106.795 105.852 -73.1616 96.8094 -106.796 96.81 -60.6696 GPRESSURE: 1866200 208.448 75.3237 -70.5759 -0.367067 -40.5643 46.2595 -99.0993 208.603 19.5606 PRESSAVG: 1866200 -11.6799 -33.4887 -10.1246 -33.4887 -5.6332 38.9708 -10.1247 38.9708 12.8113 GPRESSAVG: 1866200 -9.86427 -34.8643 -10.3041 -33.7497 -7.62385 38.9776 -9.32367 39.774 13.2556 TIMING: 1866200 CPU: 5951.56, 0.00319861/step Wall: 5951.56, 0.00319861/step, 2.78439 hours remaining, 240.105469 MB of memory in use. ENERGY: 1866200 3991.7792 20603.0759 14476.2683 248.8315 -203081.8553 2509.0346 0.0000 0.0000 51876.3869 -109376.4788 298.1343 -161252.8658 -109011.4930 299.7536 40.5669 62.4816 759953.3450 -1.5006 -1.4108 PRESSURE: 1866400 239.432 -58.3341 207.741 -58.3342 -39.3936 -28.0202 207.74 -28.0199 577.599 GPRESSURE: 1866400 247.343 -83.8613 164.519 20.4214 34.4811 -33.8501 180.054 -32.4749 593.892 PRESSAVG: 1866400 -5.96634 -33.1869 2.03367 -33.1869 27.9224 20.8907 2.03363 20.8907 13.3969 GPRESSAVG: 1866400 -6.54097 -33.4155 0.990606 -32.5975 28.1786 20.7751 -0.782875 21.6633 13.4123 TIMING: 1866400 CPU: 5952.2, 0.00318709/step Wall: 5952.2, 0.00318709/step, 2.77419 hours remaining, 240.105469 MB of memory in use. ENERGY: 1866400 3933.9654 20651.9348 14451.1618 255.0143 -203428.4619 2715.2012 0.0000 0.0000 51929.6356 -109491.5489 298.4403 -161421.1845 -109129.7080 299.4283 259.2124 291.9053 758020.2142 11.7843 11.6833 PRESSURE: 1866600 -208.813 -182.639 -104.197 -182.639 -101.263 8.30338 -104.198 8.30294 -92.3238 GPRESSURE: 1866600 -183.083 -201.094 -137.096 -183.034 -56.0315 -38.8477 36.9442 28.1087 -82.3388 PRESSAVG: 1866600 48.1206 -29.4021 25.1733 -29.402 -78.5888 -7.11007 25.1733 -7.11012 13.6206 GPRESSAVG: 1866600 47.1253 -27.3535 25.4244 -31.7874 -78.3688 -7.21971 27.9665 -5.59086 14.517 TIMING: 1866600 CPU: 5952.84, 0.00320008/step Wall: 5952.84, 0.00320008/step, 2.78531 hours remaining, 240.105469 MB of memory in use. ENERGY: 1866600 3917.1782 20520.1993 14451.3234 276.4389 -203386.8016 2482.9960 0.0000 0.0000 51991.0734 -109747.5922 298.7934 -161738.6656 -109387.6552 299.1931 -134.1333 -107.1510 759939.4385 -5.6158 -5.5755 PRESSURE: 1866800 -187.715 28.6798 -30.1791 28.6797 201.051 71.4541 -30.179 71.454 154.625 GPRESSURE: 1866800 -96.9966 32.9754 45.0634 -111.671 223.975 94.7631 -142.994 71.8963 120.218 PRESSAVG: 1866800 1.80915 -73.2302 7.8852 -73.2303 -13.5786 19.0867 7.88518 19.0867 27.4976 GPRESSAVG: 1866800 3.00538 -73.6797 7.55716 -72.4186 -14.3514 18.7598 6.25484 19.4757 26.57 TIMING: 1866800 CPU: 5953.48, 0.00318806/step Wall: 5953.48, 0.00318806/step, 2.77468 hours remaining, 240.105469 MB of memory in use. ENERGY: 1866800 3992.5305 20581.1230 14506.8717 235.4240 -203044.6593 2322.9890 0.0000 0.0000 51997.2131 -109408.5079 298.8287 -161405.7210 -109041.6313 299.4691 55.9871 82.3990 758580.2673 5.2427 5.0747 PRESSURE: 1867000 -24.8229 105.801 97.444 105.801 -337.418 -80.2981 97.4435 -80.2974 -275.208 GPRESSURE: 1867000 90.2163 -0.23738 83.3556 90.4683 -396.793 -34.398 281.442 -114.317 -238.719 PRESSAVG: 1867000 3.68543 -23.8789 37.8258 -23.879 6.27639 47.3385 37.8258 47.3385 0.0849508 GPRESSAVG: 1867000 2.69412 -26.3544 38.4089 -22.6855 7.2109 47.0014 36.6728 46.8432 0.44659 TIMING: 1867000 CPU: 5954.12, 0.00318368/step Wall: 5954.12, 0.00318368/step, 2.77069 hours remaining, 240.105469 MB of memory in use. ENERGY: 1867000 4018.9539 20407.8960 14505.5639 258.5018 -203005.6615 2136.5135 0.0000 0.0000 52403.5933 -109274.6393 301.1642 -161678.2325 -108903.5979 299.6325 -212.4831 -181.7651 759007.6432 3.3489 3.4505 PRESSURE: 1867200 -111.194 -74.324 -5.82382 -74.3237 -139.875 -94.428 -5.82388 -94.4276 -227.243 GPRESSURE: 1867200 -61.2672 -92.6063 -10.7023 -8.40923 -102.811 -93.9818 166.626 -94.5463 -242.142 PRESSAVG: 1867200 43.8385 17.1289 61.935 17.1288 -8.9524 25.8426 61.9349 25.8427 -20.1552 GPRESSAVG: 1867200 45.0295 21.0909 62.5461 15.5606 -9.21673 26.1014 63.3832 25.0341 -21.4165 TIMING: 1867200 CPU: 5954.75, 0.00319006/step Wall: 5954.75, 0.00319006/step, 2.77606 hours remaining, 240.105469 MB of memory in use. ENERGY: 1867200 3976.5512 20607.1139 14577.2898 247.6605 -203222.0771 2332.0205 0.0000 0.0000 52089.7690 -109391.6722 299.3606 -161481.4412 -109031.2129 299.3371 -159.4371 -135.4067 758271.9183 4.9103 4.7988 PRESSURE: 1867400 77.7857 -68.733 318.647 -68.7333 -27.3764 -263.36 318.647 -263.36 553.143 GPRESSURE: 1867400 6.59332 -40.2809 394.303 -119.06 105.34 -214.531 101.507 -165.63 568.978 PRESSAVG: 1867400 -7.7597 6.16551 -3.93303 6.16554 -14.2209 -29.0696 -3.93301 -29.0696 -0.978875 GPRESSAVG: 1867400 -7.49976 4.609 -3.39214 7.53065 -13.1669 -27.7533 -5.93061 -28.7747 -1.78346 TIMING: 1867400 CPU: 5955.39, 0.00319848/step Wall: 5955.39, 0.00319848/step, 2.78321 hours remaining, 240.105469 MB of memory in use. ENERGY: 1867400 3989.8607 20396.5221 14394.9911 237.0705 -203178.6093 2562.7266 0.0000 0.0000 52211.7722 -109385.6660 300.0618 -161597.4382 -109028.7621 299.6469 201.1840 226.9705 758855.9220 -7.6531 -7.4834 PRESSURE: 1867600 -259.992 -96.8512 -17.0197 -96.8515 169.596 86.8836 -17.0196 86.8837 260.597 GPRESSURE: 1867600 -75.1924 -113.702 146.086 -5.9411 119.961 61.6166 111.308 125.612 227.576 PRESSAVG: 1867600 -21.7495 -8.14872 12.6441 -8.14869 23.9301 19.6498 12.6441 19.6497 10.4513 GPRESSAVG: 1867600 -22.0863 -8.60676 12.8679 -7.87951 22.6524 18.4853 14.4007 21.2392 11.8133 TIMING: 1867600 CPU: 5956.03, 0.00319388/step Wall: 5956.03, 0.00319388/step, 2.77903 hours remaining, 240.105469 MB of memory in use. ENERGY: 1867600 3995.6990 20445.7699 14403.2998 255.0471 -203004.6449 2369.0045 0.0000 0.0000 52115.8973 -109419.9273 299.5108 -161535.8246 -109057.2228 299.2527 56.7337 90.7815 760478.6321 4.2107 4.1264 PRESSURE: 1867800 118.632 87.6227 272.927 87.6225 174.922 82.3593 272.928 82.3596 355.162 GPRESSURE: 1867800 116.103 29.3672 317.149 212.681 284.375 113.659 100.21 -61.6611 319.479 PRESSAVG: 1867800 -35.24 2.43772 8.73074 2.43776 24.9511 13.8404 8.73069 13.8405 -22.5608 GPRESSAVG: 1867800 -36.3684 3.79581 9.04173 3.62139 25.5708 13.7827 8.62236 13.6997 -22.4736 TIMING: 1867800 CPU: 5956.67, 0.0031739/step Wall: 5956.67, 0.0031739/step, 2.76147 hours remaining, 240.105469 MB of memory in use. ENERGY: 1867800 3925.8475 20560.5613 14403.9189 261.1169 -203583.0470 2835.1361 0.0000 0.0000 52281.0728 -109315.3935 300.4600 -161596.4663 -108955.4505 299.6231 216.2390 239.9856 760269.1905 -10.9499 -11.0904 PRESSURE: 1868000 240.138 97.7083 -138.336 97.7087 -153.926 -18.7842 -138.337 -18.7842 -417.202 GPRESSURE: 1868000 300.82 28.2376 -144.689 165.187 -189.665 -0.143409 -54.5726 -51.9283 -370.812 PRESSAVG: 1868000 -28.6551 -39.8829 36.0926 -39.8829 23.0582 -10.1828 36.0926 -10.1829 9.39884 GPRESSAVG: 1868000 -26.9933 -38.398 33.9076 -40.7767 23.2544 -10.4426 37.3169 -12.1803 8.0176 TIMING: 1868000 CPU: 5957.31, 0.0031948/step Wall: 5957.31, 0.0031948/step, 2.77948 hours remaining, 240.105469 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: 1868000 3995.4783 20667.4687 14421.1534 251.9586 -203458.1226 2717.9305 0.0000 0.0000 52191.0709 -109213.0621 299.9428 -161404.1331 -108849.9461 299.5359 -110.3300 -86.5523 760313.3932 1.2673 1.4263 PRESSURE: 1868200 -70.9876 134.747 38.7123 134.747 -128.845 -48.3555 38.712 -48.3558 136.749 GPRESSURE: 1868200 -79.0525 168.733 65.8191 236.196 -51.8519 -34.9327 69.8836 175.319 166.678 PRESSAVG: 1868200 46.0497 16.9903 -33.8158 16.9902 -42.3063 5.41254 -33.8157 5.4125 -4.08002 GPRESSAVG: 1868200 45.7275 16.5859 -33.0251 17.6237 -42.4791 5.4531 -34.491 7.36242 -3.30221 TIMING: 1868200 CPU: 5957.95, 0.00319675/step Wall: 5957.95, 0.00319675/step, 2.78099 hours remaining, 240.105469 MB of memory in use. ENERGY: 1868200 3999.7565 20625.3356 14439.9396 269.0485 -203152.3758 2308.5221 0.0000 0.0000 52162.4639 -109347.3097 299.7784 -161509.7736 -108993.7934 299.6691 -21.0281 11.9246 761088.2268 -0.1122 -0.0179 LDB: ============= START OF LOAD BALANCING ============== 5970.4 LDB: ============== END OF LOAD BALANCING =============== 5970.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5970.4 LDB: ============= START OF LOAD BALANCING ============== 5970.72 LDB: Largest compute 7034 load 0.037512 is 19.2% of average load 0.195142 LDB: Average compute 0.004400 is 2.3% of average load 0.195142 LDB: TIME 5970.73 LOAD: AVG 0.195142 MAX 0.212893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.594 MB LDB: TIME 5970.73 LOAD: AVG 0.195142 MAX 0.212893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.594 MB LDB: TIME 5970.73 LOAD: AVG 0.195142 MAX 0.212893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.594 MB LDB: ============== END OF LOAD BALANCING =============== 5970.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5970.74 PRESSURE: 1868400 167.579 -132.886 77.9402 -132.886 43.7861 70.8262 77.9399 70.8274 255.119 GPRESSURE: 1868400 137.998 -57.1393 55.1562 -146.938 203.073 -5.28468 -13.6019 106.352 228.916 PRESSAVG: 1868400 -14.0667 -13.7367 11.3218 -13.7367 10.0136 16.1231 11.3218 16.1231 4.0907 GPRESSAVG: 1868400 -14.043 -11.8352 9.26205 -16.3654 10.2669 14.3377 9.59312 16.2074 3.72712 TIMING: 1868400 CPU: 5958.6, 0.0032682/step Wall: 5958.6, 0.0032682/step, 2.84297 hours remaining, 239.082031 MB of memory in use. ENERGY: 1868400 4016.5251 20534.3913 14466.0580 245.9326 -203181.5850 2429.6904 0.0000 0.0000 52052.9098 -109436.0777 299.1488 -161488.9876 -109076.0964 299.7282 155.4947 189.9957 759364.2385 0.0125 -0.0164 PRESSURE: 1868600 243.486 68.2388 -59.2165 68.2385 237.832 187.15 -59.2162 187.15 -365.35 GPRESSURE: 1868600 251.388 4.13532 12.4985 118.844 190.879 155.126 -43.9512 114.358 -253.551 PRESSAVG: 1868600 0.118346 -57.4665 14.381 -57.4665 22.0563 45.4553 14.381 45.4553 18.5929 GPRESSAVG: 1868600 0.789702 -61.214 14.7681 -52.815 20.6053 47.8959 15.7378 43.1567 19.4139 TIMING: 1868600 CPU: 5959.24, 0.00318694/step Wall: 5959.24, 0.00318694/step, 2.77211 hours remaining, 239.082031 MB of memory in use. ENERGY: 1868600 3957.6027 20659.5472 14497.0730 238.2383 -203044.7062 2269.6035 0.0000 0.0000 51843.8662 -109578.7753 297.9474 -161422.6415 -109221.4659 298.8551 38.6562 62.9055 759760.3540 13.5892 13.6030 PRESSURE: 1868800 -158.088 -68.3189 -112.757 -68.3191 481.849 -65.1532 -112.757 -65.1518 445.526 GPRESSURE: 1868800 -88.2659 32.0027 -55.8756 -97.8982 510.056 -105.738 -74.9276 -4.79674 426.749 PRESSAVG: 1868800 -20.5807 1.64372 -47.922 1.64374 26.9647 41.5106 -47.922 41.5107 -11.2511 GPRESSAVG: 1868800 -21.9738 3.94926 -47.0859 -2.59266 28.4447 41.5476 -46.115 43.0251 -11.6766 TIMING: 1868800 CPU: 5959.88, 0.00319864/step Wall: 5959.88, 0.00319864/step, 2.7821 hours remaining, 239.082031 MB of memory in use. ENERGY: 1868800 3958.7500 20472.0227 14423.5845 249.5605 -203439.5984 2441.4312 0.0000 0.0000 52133.2229 -109761.0266 299.6103 -161894.2496 -109407.7017 298.9436 256.4292 282.8462 759822.8753 -1.6224 -1.7352 PRESSURE: 1869000 -205.473 85.1343 234.947 85.1341 59.5754 -138.368 234.948 -138.369 -355.605 GPRESSURE: 1869000 -173.99 94.4726 271.304 122.61 54.7777 -97.6702 180.796 -149.128 -315.607 PRESSAVG: 1869000 -40.7953 48.4483 -33.1163 48.4484 76.9059 -7.81295 -33.1163 -7.81294 -18.6101 GPRESSAVG: 1869000 -38.8146 47.1015 -34.5729 49.1379 75.5416 -8.62108 -34.3364 -9.04197 -19.3229 TIMING: 1869000 CPU: 5960.51, 0.00316923/step Wall: 5960.51, 0.00316923/step, 2.75635 hours remaining, 239.082031 MB of memory in use. ENERGY: 1869000 3988.2244 20450.4940 14477.2310 266.3220 -203175.3491 2117.6568 0.0000 0.0000 52174.2461 -109701.1749 299.8461 -161875.4209 -109335.1752 299.1061 -167.1675 -144.9395 761130.2132 5.8335 5.8014 PRESSURE: 1869200 -404.05 -70.3503 -148.923 -70.3503 -182.359 -11.6075 -148.923 -11.606 -350.811 GPRESSURE: 1869200 -408.893 25.1619 -225.139 -67.5042 -138.925 -49.1877 -93.8646 80.498 -304.668 PRESSAVG: 1869200 9.80239 -49.4175 -50.6427 -49.4176 -13.7775 -96.7732 -50.6426 -96.7733 31.3373 GPRESSAVG: 1869200 7.6615 -50.4945 -49.0837 -47.6213 -13.7711 -96.6862 -50.7562 -97.413 33.1627 TIMING: 1869200 CPU: 5961.15, 0.00319929/step Wall: 5961.15, 0.00319929/step, 2.78232 hours remaining, 239.082031 MB of memory in use. ENERGY: 1869200 4017.5895 20561.0237 14492.1689 254.9671 -203599.2447 2475.6697 0.0000 0.0000 51973.5434 -109824.2824 298.6927 -161797.8258 -109470.7028 299.0637 -312.4067 -284.1620 759845.5885 9.1207 9.0177 PRESSURE: 1869400 -89.4571 49.9146 -47.5829 49.9156 -63.1283 10.8329 -47.5823 10.8343 29.2514 GPRESSURE: 1869400 2.51852 57.8698 -11.2518 35.3948 27.216 -51.9062 -52.4611 15.8967 -65.9382 PRESSAVG: 1869400 46.5812 -0.357141 26.7278 -0.357161 -15.4431 -17.3218 26.7279 -17.3219 12.4244 GPRESSAVG: 1869400 46.6715 2.92033 26.1998 -4.63782 -14.5132 -17.3338 26.467 -16.855 11.5913 TIMING: 1869400 CPU: 5961.79, 0.00320564/step Wall: 5961.79, 0.00320563/step, 2.78766 hours remaining, 239.082031 MB of memory in use. ENERGY: 1869400 4013.3650 20467.9085 14480.9757 237.0321 -203464.9606 2319.4408 0.0000 0.0000 52047.1282 -109899.1103 299.1156 -161946.2385 -109537.2380 298.4208 -41.1113 -12.0679 759690.4793 14.5208 14.5832 PRESSURE: 1869600 -436.537 -28.1501 22.15 -28.149 -60.6203 81.2638 22.1487 81.2629 -12.1479 GPRESSURE: 1869600 -315.679 -40.1026 3.06053 -1.57807 -138.63 38.0304 18.9668 179.267 51.4729 PRESSAVG: 1869600 23.6051 -8.68067 38.9216 -8.68065 -15.8812 -22.7644 38.9216 -22.7645 -0.0840416 GPRESSAVG: 1869600 23.4603 -10.0809 38.5188 -6.0492 -16.7728 -23.6734 38.6285 -22.31 1.18015 TIMING: 1869600 CPU: 5962.43, 0.0032159/step Wall: 5962.43, 0.0032159/step, 2.7964 hours remaining, 239.082031 MB of memory in use. ENERGY: 1869600 4102.8146 20501.5021 14496.3205 240.3943 -203561.2310 2567.4069 0.0000 0.0000 51826.1625 -109826.6301 297.8457 -161652.7927 -109473.4200 298.4729 -169.7685 -134.2785 760712.9180 2.5466 2.6225 PRESSURE: 1869800 -7.71226 156.597 -23.4653 156.597 -145.233 27.3786 -23.4658 27.3777 -23.884 GPRESSURE: 1869800 38.799 73.9281 -56.601 169.102 -70.2154 4.80211 -52.8931 25.6578 -50.4709 PRESSAVG: 1869800 -7.56284 -11.9943 38.8401 -11.9944 -21.0832 -44.2533 38.8402 -44.2533 -0.311598 GPRESSAVG: 1869800 -7.46503 -11.3924 39.2582 -12.0108 -19.2221 -42.5573 39.9758 -45.5516 -1.78257 TIMING: 1869800 CPU: 5963.08, 0.00322278/step Wall: 5963.08, 0.00322278/step, 2.8022 hours remaining, 239.082031 MB of memory in use. ENERGY: 1869800 3940.1334 20388.7361 14456.5927 248.1789 -203381.9496 2473.3908 0.0000 0.0000 52240.6311 -109634.2865 300.2276 -161874.9176 -109264.9169 299.0369 -58.9431 -27.2958 760598.5627 -9.6526 -9.4899 PRESSURE: 1870000 145.389 -139.537 89.3247 -139.538 -163.501 -196.116 89.325 -196.117 174.567 GPRESSURE: 1870000 169.012 -61.2715 20.5481 -31.3153 -101.031 -185.922 77.0432 -68.6936 177.853 PRESSAVG: 1870000 -20.2648 -91.6518 0.967777 -91.6518 10.1586 -32.0023 0.967779 -32.0022 -2.0916 GPRESSAVG: 1870000 -19.2642 -92.784 1.15601 -91.4615 10.5917 -33.6031 1.0971 -29.3301 -2.97934 TIMING: 1870000 CPU: 5963.72, 0.00319898/step Wall: 5963.72, 0.00319898/step, 2.78134 hours remaining, 239.082031 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: 1870000 3980.1885 20226.3451 14433.0212 252.5065 -202996.1555 2430.9059 0.0000 0.0000 51954.7449 -109718.4433 298.5846 -161673.1882 -109348.1489 298.7244 52.1518 81.9450 761500.6940 -4.0660 -3.8839 PRESSURE: 1870200 -126.693 -311.777 -87.8936 -311.777 -262.071 107.794 -87.8929 107.794 3.07199 GPRESSURE: 1870200 -113.516 -230.724 -53.7703 -169.035 -205.087 37.2285 -118.105 53.0263 11.8007 PRESSAVG: 1870200 14.5624 -53.6651 -11.6475 -53.6652 -25.6428 -27.8763 -11.6475 -27.8762 -9.63121 GPRESSAVG: 1870200 13.5154 -51.5785 -12.4765 -54.4832 -26.1054 -25.2754 -13.4142 -30.7516 -7.66185 TIMING: 1870200 CPU: 5964.36, 0.00318261/step Wall: 5964.36, 0.00318261/step, 2.76693 hours remaining, 239.082031 MB of memory in use. ENERGY: 1870200 4016.8473 20478.9092 14401.9457 236.3945 -203150.6670 2338.3202 0.0000 0.0000 51858.2247 -109820.0254 298.0299 -161678.2501 -109462.1384 298.6276 -128.5640 -102.2676 759916.8324 -6.9039 -6.7506 PRESSURE: 1870400 -143.081 66.941 70.1921 66.9413 83.9063 -151.3 70.193 -151.298 355.046 GPRESSURE: 1870400 -111.854 63.983 149.51 -18.8742 107.214 -142.915 87.174 -102.37 372.318 PRESSAVG: 1870400 -26.4419 -69.404 -27.994 -69.404 56.8252 47.5968 -27.994 47.5967 18.9677 GPRESSAVG: 1870400 -25.6317 -69.2803 -26.3851 -68.3497 57.0578 44.5478 -26.1544 49.7198 18.1418 TIMING: 1870400 CPU: 5964.99, 0.00317973/step Wall: 5964.99, 0.00317973/step, 2.76425 hours remaining, 239.082031 MB of memory in use. ENERGY: 1870400 3993.9623 20551.7487 14442.2566 238.9788 -203354.3727 2619.5908 0.0000 0.0000 51711.5687 -109796.2669 297.1871 -161507.8356 -109454.4170 298.5998 98.6235 122.5596 760213.8378 16.4503 16.5227 PRESSURE: 1870600 398.602 -165.945 -98.9254 -165.947 275.488 -110.894 -98.9257 -110.893 134.241 GPRESSURE: 1870600 444.822 -186.281 -21.6495 -152.356 204.843 -146.341 -58.2601 -146.598 249.483 PRESSAVG: 1870600 -11.9167 -80.4392 6.66759 -80.4392 33.0124 -8.94926 6.66758 -8.94935 5.43863 GPRESSAVG: 1870600 -11.3683 -81.4801 7.09826 -81.4934 32.5373 -8.58057 6.24344 -9.37196 5.66873 TIMING: 1870600 CPU: 5965.63, 0.00318008/step Wall: 5965.63, 0.00318008/step, 2.76438 hours remaining, 239.082031 MB of memory in use. ENERGY: 1870600 3902.1142 20393.6114 14376.5932 235.7722 -203524.8236 2549.3028 0.0000 0.0000 52468.5819 -109598.8478 301.5377 -162067.4297 -109244.0562 299.3763 269.4438 299.7157 760363.3262 8.8448 8.9459 PRESSURE: 1870800 -38.6191 235.092 108.369 235.092 222.728 -158.098 108.369 -158.098 -162.758 GPRESSURE: 1870800 7.70211 204.581 78.8569 169.274 248.79 -147.059 132.42 -108.913 -135.519 PRESSAVG: 1870800 8.54353 -28.8093 56.4767 -28.8093 51.0295 -23.1069 56.4767 -23.1068 1.72478 GPRESSAVG: 1870800 7.10101 -28.0798 55.8511 -29.3527 52.537 -21.6999 54.0308 -24.375 1.77149 TIMING: 1870800 CPU: 5966.26, 0.00318015/step Wall: 5966.26, 0.00318015/step, 2.76426 hours remaining, 239.082031 MB of memory in use. ENERGY: 1870800 3975.5123 20437.4162 14446.3846 271.6672 -203465.9547 2531.9599 0.0000 0.0000 52233.7463 -109569.2681 300.1881 -161803.0145 -109202.0375 299.8244 7.1171 40.3244 760600.3947 20.4326 20.4698 PRESSURE: 1871000 -185.198 179.676 -34.8013 179.675 -146.941 -61.7138 -34.8004 -61.7151 159.198 GPRESSURE: 1871000 -64.5743 136.671 -87.4438 208.534 -161.854 -45.081 -146.601 -34.58 132.198 PRESSAVG: 1871000 -8.14442 9.10507 21.633 9.10508 11.8946 -30.4109 21.633 -30.411 8.07735 GPRESSAVG: 1871000 -7.5135 9.37954 21.6652 8.89513 11.0936 -33.8567 22.3266 -29.065 8.07916 TIMING: 1871000 CPU: 5966.9, 0.00316812/step Wall: 5966.9, 0.00316812/step, 2.75363 hours remaining, 239.082031 MB of memory in use. ENERGY: 1871000 3954.2186 20792.5938 14490.1128 255.9988 -203512.8564 2494.4167 0.0000 0.0000 51961.3151 -109564.2006 298.6224 -161525.5158 -109201.4493 299.7165 -57.6472 -31.4101 760375.8996 3.9425 3.8864 PRESSURE: 1871200 -73.4262 -26.5991 15.8979 -26.5991 -282.196 -120.401 15.8978 -120.4 -53.8254 GPRESSURE: 1871200 -57.385 -99.2008 31.8691 94.8845 -233.824 -87.2702 79.4143 -70.487 -51.4591 PRESSAVG: 1871200 -6.29628 -31.7186 -25.3615 -31.7187 7.24631 5.2892 -25.3616 5.28918 -20.9182 GPRESSAVG: 1871200 -5.71773 -36.0288 -24.7397 -28.7369 7.49201 8.02807 -25.5945 5.70359 -21.1662 TIMING: 1871200 CPU: 5967.53, 0.00317368/step Wall: 5967.53, 0.00317368/step, 2.75828 hours remaining, 239.082031 MB of memory in use. ENERGY: 1871200 3979.8376 20597.3809 14453.4240 231.3686 -203445.1781 2437.0734 0.0000 0.0000 52166.1223 -109579.9713 299.7994 -161746.0936 -109216.8402 299.6373 -136.4827 -114.2225 759332.2247 -6.6560 -6.4640 PRESSURE: 1871400 411.802 -90.7228 -96.1353 -90.7233 -144.992 -99.7661 -96.1356 -99.7666 148.368 GPRESSURE: 1871400 503.146 -9.44933 -46.1188 -107.938 -107.58 -115.594 36.9324 -9.41089 120.254 PRESSAVG: 1871400 40.962 0.11679 -7.80721 0.116834 18.3882 -10.9636 -7.80722 -10.9636 15.5992 GPRESSAVG: 1871400 41.3474 4.32036 -8.99049 -1.94056 18.2558 -10.8556 -4.38103 -12.5688 15.7735 TIMING: 1871400 CPU: 5968.16, 0.00316511/step Wall: 5968.16, 0.00316511/step, 2.75066 hours remaining, 239.082031 MB of memory in use. ENERGY: 1871400 4075.3276 20452.0146 14447.3432 260.9538 -203724.1413 2666.3051 0.0000 0.0000 52197.0331 -109625.1640 299.9771 -161822.1971 -109260.4020 299.6100 138.3927 171.9397 758637.3022 24.9831 25.1256 PRESSURE: 1871600 -168.381 -188.557 -55.6763 -188.557 50.9165 5.78677 -55.676 5.78733 -497.42 GPRESSURE: 1871600 -90.3081 -180.245 -119.964 -161.141 124.981 -42.7842 -44.1211 -72.5301 -552.854 PRESSAVG: 1871600 7.96561 -66.5104 24.3861 -66.5104 -8.28138 -10.6352 24.3861 -10.6352 -6.86771 GPRESSAVG: 1871600 7.78985 -67.5047 25.3015 -68.288 -8.38566 -8.94909 22.6803 -10.4646 -6.72326 TIMING: 1871600 CPU: 5968.8, 0.00319001/step Wall: 5968.8, 0.00319001/step, 2.77212 hours remaining, 239.082031 MB of memory in use. ENERGY: 1871600 4011.3456 20607.5397 14441.3457 260.9090 -203290.5130 2359.2577 0.0000 0.0000 52107.6846 -109502.4306 299.4636 -161610.1153 -109154.1259 299.5138 -204.9615 -172.7270 759936.2925 -2.3945 -2.4397 PRESSURE: 1871800 15.113 -115.708 -37.4929 -115.708 -43.2865 -151.464 -37.4931 -151.464 159.292 GPRESSURE: 1871800 -44.5497 14.9657 -56.3729 11.6619 65.5699 -110.388 -77.6269 -124.361 194.701 PRESSAVG: 1871800 46.1675 -58.1938 22.8044 -58.1938 -49.1709 -61.3073 22.8045 -61.3073 15.1946 GPRESSAVG: 1871800 45.9399 -58.8377 21.8446 -56.0701 -48.5992 -61.9939 20.5981 -59.5612 14.7205 TIMING: 1871800 CPU: 5969.44, 0.00318817/step Wall: 5969.44, 0.00318817/step, 2.77034 hours remaining, 239.082031 MB of memory in use. ENERGY: 1871800 4084.0754 20583.4527 14461.4627 236.4389 -203043.5650 2219.2965 0.0000 0.0000 52002.1123 -109456.7266 298.8569 -161458.8389 -109102.0559 299.9327 43.7062 71.9070 760326.6255 4.0637 4.0204 PRESSURE: 1872000 -99.5394 -23.0505 -38.5185 -23.0505 189.996 -74.5516 -38.5189 -74.5534 306.365 GPRESSURE: 1872000 4.25926 86.9962 36.6003 66.8265 150.964 -106.941 -83.4974 -62.4884 352.206 PRESSAVG: 1872000 -12.1281 -21.6813 -50.1365 -21.6813 25.7633 21.8953 -50.1365 21.8953 10.3076 GPRESSAVG: 1872000 -11.9888 -18.5644 -50.8246 -22.7159 25.3274 20.8769 -47.042 21.4402 9.87708 TIMING: 1872000 CPU: 5970.08, 0.0031779/step Wall: 5970.08, 0.0031779/step, 2.76125 hours remaining, 239.082031 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: 1872000 3991.6572 20563.5800 14425.0095 219.3916 -203536.8781 2546.0667 0.0000 0.0000 52248.8930 -109542.2802 300.2751 -161791.1732 -109177.3328 299.6895 132.2738 169.1430 759671.1006 7.9809 7.7385 PRESSURE: 1872200 -17.3892 163.641 -62.2634 163.641 3.82276 74.4682 -62.2635 74.4686 20.6784 GPRESSURE: 1872200 8.67542 43.0349 -11.4746 40.4259 85.0646 108.633 25.2505 16.6287 -1.37954 PRESSAVG: 1872200 -14.6827 -14.8089 -19.4901 -14.809 69.6905 -14.1779 -19.4901 -14.178 35.2989 GPRESSAVG: 1872200 -15.4344 -16.7816 -18.6943 -14.3022 69.2384 -14.3445 -20.7858 -13.5815 36.4853 TIMING: 1872200 CPU: 5970.71, 0.00316619/step Wall: 5970.71, 0.00316619/step, 2.75089 hours remaining, 239.082031 MB of memory in use. ENERGY: 1872200 4048.6456 20647.2396 14442.0464 238.1679 -203537.5241 2474.8934 0.0000 0.0000 52170.0362 -109516.4950 299.8219 -161686.5312 -109152.1252 300.2415 2.3706 30.7868 757524.3178 30.1022 30.0965 LDB: ============= START OF LOAD BALANCING ============== 5983.16 LDB: ============== END OF LOAD BALANCING =============== 5983.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5983.16 LDB: ============= START OF LOAD BALANCING ============== 5983.48 LDB: Largest compute 7060 load 0.035134 is 18.0% of average load 0.195218 LDB: Average compute 0.004397 is 2.3% of average load 0.195218 LDB: TIME 5983.48 LOAD: AVG 0.195218 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.363 MB LDB: TIME 5983.48 LOAD: AVG 0.195218 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 MB LDB: TIME 5983.48 LOAD: AVG 0.195218 MAX 0.215736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 MB LDB: ============== END OF LOAD BALANCING =============== 5983.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5983.49 PRESSURE: 1872400 -115.106 116.981 -215.411 116.98 -259.39 -216.337 -215.411 -216.336 -203.8 GPRESSURE: 1872400 -97.6803 106.976 -181.675 27.9338 -189.706 -254.565 -193.529 -187.175 -203.632 PRESSAVG: 1872400 -20.4081 -31.1136 23.8354 -31.1135 5.96619 -39.9653 23.8353 -39.9652 0.799146 GPRESSAVG: 1872400 -19.296 -29.6753 23.9109 -31.882 5.9327 -40.4563 25.6133 -40.9375 -0.565724 TIMING: 1872400 CPU: 5971.35, 0.00321957/step Wall: 5971.35, 0.00321957/step, 2.79709 hours remaining, 239.902344 MB of memory in use. ENERGY: 1872400 3929.1342 20609.8607 14463.3420 270.3906 -203400.4390 2348.3735 0.0000 0.0000 52246.1835 -109533.1545 300.2595 -161779.3380 -109168.0862 299.4500 -192.7653 -163.6726 759623.5088 -4.5476 -4.6430 PRESSURE: 1872600 364.535 11.7641 171.606 11.7643 30.2855 98.9379 171.606 98.9377 -157.804 GPRESSURE: 1872600 276.858 -21.6726 70.4202 51.9177 163.917 131.698 144.762 41.9315 -120.346 PRESSAVG: 1872600 15.1112 -0.756033 -15.9329 -0.756026 -38.7749 -27.3094 -15.9329 -27.3094 1.88137 GPRESSAVG: 1872600 14.3414 -0.709911 -14.1985 0.0371596 -37.9492 -26.4526 -15.9617 -29.5332 1.68031 TIMING: 1872600 CPU: 5971.99, 0.00318116/step Wall: 5971.99, 0.00318116/step, 2.76354 hours remaining, 240.101562 MB of memory in use. ENERGY: 1872600 4027.0023 20533.3080 14518.9152 255.9930 -203275.8142 2449.8310 0.0000 0.0000 52051.9305 -109438.8342 299.1432 -161490.7647 -109074.1820 299.4019 79.0054 106.8098 758330.0918 -7.2608 -7.3092 PRESSURE: 1872800 142.987 -84.4136 59.4888 -84.414 374.681 58.6723 59.4894 58.6723 -21.444 GPRESSURE: 1872800 246.078 -67.1265 94.233 -107.472 315.386 63.8699 -70.3898 249.182 -4.99276 PRESSAVG: 1872800 -31.0892 -66.1481 61.6101 -66.1481 9.58728 -15.1807 61.61 -15.1807 3.53249 GPRESSAVG: 1872800 -31.6224 -67.2294 59.567 -67.4689 8.88567 -15.3568 61.4396 -13.797 4.09529 TIMING: 1872800 CPU: 5972.62, 0.00317345/step Wall: 5972.62, 0.00317345/step, 2.75667 hours remaining, 240.101562 MB of memory in use. ENERGY: 1872800 4046.0782 20492.9741 14461.5802 265.5458 -203707.9973 2651.4465 0.0000 0.0000 52246.1195 -109544.2529 300.2592 -161790.3724 -109177.9484 299.9631 165.4083 185.4902 759285.8555 -5.9898 -6.2138 PRESSURE: 1873000 -200.561 -114.207 -8.17801 -114.207 -65.0552 -325.042 -8.17914 -325.043 98.1654 GPRESSURE: 1873000 -179.529 -70.1963 59.5985 -132.307 67.908 -373.815 31.5036 -74.9952 29.6257 PRESSAVG: 1873000 -59.6725 -59.7955 -37.0042 -59.7955 39.2876 -6.30232 -37.0042 -6.30238 20.717 GPRESSAVG: 1873000 -59.4157 -59.5336 -35.0886 -60.4829 40.3243 -7.14128 -36.5939 -3.14633 19.2979 TIMING: 1873000 CPU: 5973.26, 0.0031745/step Wall: 5973.26, 0.0031745/step, 2.7574 hours remaining, 240.101562 MB of memory in use. ENERGY: 1873000 4005.1138 20617.2871 14524.2777 244.4013 -203363.5233 2493.2403 0.0000 0.0000 51989.3422 -109489.8609 298.7835 -161479.2031 -109115.2356 299.5572 -55.8170 -27.3319 759903.5793 0.1107 0.0688 PRESSURE: 1873200 282.483 -132.151 -201.935 -132.152 -192.658 184.261 -201.935 184.261 216.531 GPRESSURE: 1873200 224.169 -106.34 -211.386 6.86543 -23.6782 161.684 -228.248 262.019 191.871 PRESSAVG: 1873200 50.6016 -35.401 71.5188 -35.401 -11.2448 58.3879 71.5189 58.3879 -8.80668 GPRESSAVG: 1873200 50.4885 -34.5356 69.9511 -32.1504 -11.5115 60.2074 70.9235 55.2113 -7.99562 TIMING: 1873200 CPU: 5973.89, 0.00316518/step Wall: 5973.89, 0.00316518/step, 2.74913 hours remaining, 240.101562 MB of memory in use. ENERGY: 1873200 3913.6223 20532.4742 14535.4141 252.4999 -203502.6229 2821.5137 0.0000 0.0000 51960.7908 -109486.3078 298.6194 -161447.0986 -109117.5133 299.2444 102.1185 130.7873 761348.5692 10.1833 10.3271 PRESSURE: 1873400 220.47 -54.019 236.964 -54.0188 220.831 87.6465 236.964 87.647 597.264 GPRESSURE: 1873400 333.007 -30.4585 201.828 -32.5894 207.496 117.107 246.878 48.3745 591.203 PRESSAVG: 1873400 35.9679 -47.6784 8.48131 -47.6784 -24.8587 122.551 8.48134 122.551 -5.86261 GPRESSAVG: 1873400 35.3102 -47.3597 8.34307 -48.6207 -25.9907 120.766 8.58794 123.778 -3.78533 TIMING: 1873400 CPU: 5974.53, 0.0031752/step Wall: 5974.53, 0.0031752/step, 2.75766 hours remaining, 240.101562 MB of memory in use. ENERGY: 1873400 3920.7418 20385.9700 14490.8273 271.1506 -203732.4923 2752.5241 0.0000 0.0000 52310.9475 -109600.3310 300.6317 -161911.2785 -109228.5525 298.9800 346.1884 377.2353 760801.6566 1.7489 1.8447 PRESSURE: 1873600 290.47 -42.7948 37.7388 -42.795 180.718 -155.588 37.7387 -155.587 458.498 GPRESSURE: 1873600 361.334 -133.15 37.2804 -135.777 188.206 -76.117 61.0015 -211.85 478.38 PRESSAVG: 1873600 41.9981 -36.6289 35.3273 -36.6289 -28.834 7.74484 35.3273 7.7449 -9.78388 GPRESSAVG: 1873600 42.8713 -38.4941 35.2775 -36.2971 -28.0437 8.15972 36.5529 5.21452 -11.474 TIMING: 1873600 CPU: 5975.16, 0.00317929/step Wall: 5975.16, 0.00317929/step, 2.76104 hours remaining, 240.101562 MB of memory in use. ENERGY: 1873600 3903.0843 20610.9297 14460.3362 268.3200 -203587.8958 2620.8807 0.0000 0.0000 51934.8052 -109789.5395 298.4700 -161724.3447 -109424.0427 299.0088 309.8956 342.6396 760355.0149 1.1267 1.1179 PRESSURE: 1873800 -194.803 49.1951 165.978 49.1954 -386.68 52.1105 165.978 52.1102 -168.845 GPRESSURE: 1873800 -80.8561 115.364 159.93 28.8616 -419.631 -34.7633 74.7604 92.3888 -159.393 PRESSAVG: 1873800 6.94269 -69.8859 8.94035 -69.8859 -33.2638 -9.03295 8.94035 -9.0329 -0.603781 GPRESSAVG: 1873800 5.83754 -69.3272 11.373 -69.5196 -33.4206 -9.21274 8.65033 -7.81681 0.425965 TIMING: 1873800 CPU: 5975.8, 0.00318033/step Wall: 5975.8, 0.00318033/step, 2.76176 hours remaining, 240.101562 MB of memory in use. ENERGY: 1873800 4075.2282 20617.2014 14441.4688 244.8925 -203442.5133 2382.7706 0.0000 0.0000 51889.6789 -109791.2729 298.2107 -161680.9518 -109434.9240 298.7210 -250.1093 -219.9603 761601.3862 -8.9750 -9.0524 PRESSURE: 1874000 463.395 -220.31 44.6567 -220.31 -167.304 23.7454 44.6566 23.7459 67.4396 GPRESSURE: 1874000 446.382 -96.4724 40.2678 -179.402 -65.7414 -37.5429 43.1499 34.8704 52.5707 PRESSAVG: 1874000 -17.0069 -56.3587 77.0071 -56.3587 -27.799 -8.98667 77.0071 -8.98671 -7.86163 GPRESSAVG: 1874000 -16.7546 -53.8754 75.5358 -56.58 -27.5585 -8.91731 75.1421 -9.88363 -8.61899 TIMING: 1874000 CPU: 5976.44, 0.00320046/step Wall: 5976.44, 0.00320046/step, 2.77907 hours remaining, 240.101562 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: 1874000 4095.2753 20542.5855 14389.4768 267.5366 -203552.6740 2690.6932 0.0000 0.0000 51715.0283 -109852.0782 297.2070 -161567.1065 -109494.6079 299.0281 121.1770 144.4037 760301.1385 -17.5558 -17.6440 PRESSURE: 1874200 10.9577 29.0515 12.717 29.0521 -139.803 -166.73 12.7177 -166.73 -237.52 GPRESSURE: 1874200 -4.4262 35.6301 -24.1947 85.6083 -147.389 -198.275 -41.4085 -118.642 -144.718 PRESSAVG: 1874200 -14.5559 0.237314 33.1894 0.23736 10.943 -22.7804 33.1895 -22.7804 -10.3806 GPRESSAVG: 1874200 -14.5226 -2.45266 34.1366 2.23158 11.5845 -21.5033 34.0076 -19.6002 -11.0416 TIMING: 1874200 CPU: 5977.07, 0.00317222/step Wall: 5977.07, 0.00317222/step, 2.75437 hours remaining, 240.101562 MB of memory in use. ENERGY: 1874200 3983.8891 20611.7106 14507.6653 241.2758 -203683.4655 2542.0273 0.0000 0.0000 51990.1645 -109806.7329 298.7882 -161796.8974 -109434.7357 298.2121 -122.1218 -98.8445 761772.9417 -4.6645 -4.6599 PRESSURE: 1874400 -78.0904 -74.0751 245.66 -74.0757 -198.8 203.496 245.66 203.496 -9.68821 GPRESSURE: 1874400 -52.9186 -47.5671 258.38 -127.557 -125.19 204.666 45.0083 204.016 -13.8165 PRESSAVG: 1874400 -5.74158 -35.5912 -3.85185 -35.5913 -9.80889 50.3003 -3.85182 50.3003 2.28014 GPRESSAVG: 1874400 -5.71475 -34.6616 -4.30667 -38.7309 -9.18546 50.2189 -5.37298 50.3046 2.0395 TIMING: 1874400 CPU: 5977.71, 0.00317608/step Wall: 5977.71, 0.00317608/step, 2.75754 hours remaining, 240.101562 MB of memory in use. ENERGY: 1874400 3955.6518 20441.5555 14503.9310 238.9577 -203609.7100 2526.8276 0.0000 0.0000 51887.5006 -110055.2858 298.1982 -161942.7864 -109690.0265 298.3206 -95.5262 -63.9750 761162.9612 -4.4234 -4.2869 PRESSURE: 1874600 -273.397 -17.4374 181.711 -17.4382 -474.542 -19.6354 181.712 -19.635 -549.142 GPRESSURE: 1874600 -215.908 -63.2636 100.445 10.4702 -477.008 -43.8706 245.195 -113.686 -528.757 PRESSAVG: 1874600 -70.7178 -56.2239 32.9246 -56.2238 44.0303 39.9117 32.9246 39.9117 1.01346 GPRESSAVG: 1874600 -68.682 -57.7191 32.8441 -55.2732 41.4174 41.5092 35.0643 37.2082 1.61612 TIMING: 1874600 CPU: 5978.35, 0.00320601/step Wall: 5978.35, 0.00320601/step, 2.78335 hours remaining, 240.101562 MB of memory in use. ENERGY: 1874600 3980.6296 20442.7415 14538.1711 243.4786 -203147.9936 2266.7437 0.0000 0.0000 51859.1334 -109817.0958 298.0352 -161676.2291 -109452.8534 298.4727 -432.3601 -407.2245 761596.9713 -8.5580 -8.5495 PRESSURE: 1874800 -82.2153 -271.58 113.607 -271.58 40.1554 169.251 113.607 169.25 -125.5 GPRESSURE: 1874800 -76.4772 -148.019 225.082 -113.554 69.031 262.275 62.8039 291.126 -70.9575 PRESSAVG: 1874800 22.9343 -36.54 6.82547 -36.54 -31.4323 56.5617 6.82549 56.5617 16.8584 GPRESSAVG: 1874800 21.9439 -36.424 6.37024 -36.0526 -30.5774 57.1182 8.41159 58.0016 16.5991 TIMING: 1874800 CPU: 5978.99, 0.00317749/step Wall: 5978.99, 0.00317749/step, 2.75842 hours remaining, 240.101562 MB of memory in use. ENERGY: 1874800 3979.6995 20426.0185 14547.1264 245.8218 -203645.7437 2746.0197 0.0000 0.0000 51992.2530 -109708.8047 298.8002 -161701.0578 -109352.8100 298.8293 -55.8532 -26.1346 762275.4236 2.7868 2.6552 PRESSURE: 1875000 266.69 243.423 107.478 243.424 -77.0158 84.728 107.479 84.7279 23.8401 GPRESSURE: 1875000 151.785 343.811 133.551 243.56 88.9703 50.8354 47.8857 95.9457 44.6601 PRESSAVG: 1875000 46.4205 -47.3066 19.8838 -47.3067 -6.49212 31.1134 19.8838 31.1134 -11.5254 GPRESSAVG: 1875000 46.4593 -45.1162 20.99 -47.6373 -7.02556 29.4503 17.2831 29.3183 -10.956 TIMING: 1875000 CPU: 5979.62, 0.00316237/step Wall: 5979.62, 0.00316237/step, 2.74511 hours remaining, 240.101562 MB of memory in use. ENERGY: 1875000 4027.7817 20641.7618 14548.7729 233.5995 -203689.7837 2744.4336 0.0000 0.0000 51720.0663 -109773.3680 297.2359 -161493.4343 -109423.9150 298.9027 71.1714 95.1385 760388.3528 9.4677 9.4926 PRESSURE: 1875200 -93.2508 -2.68003 -95.8319 -2.68054 -142.467 -59.0775 -95.8323 -59.0783 -285.325 GPRESSURE: 1875200 -118.526 -54.9076 -79.5551 -105.942 -21.0393 32.6693 -162.01 -49.5916 -296.328 PRESSAVG: 1875200 35.0526 -53.8156 -6.08885 -53.8156 -38.9565 20.8388 -6.08888 20.8387 -2.13408 GPRESSAVG: 1875200 35.5976 -56.7412 -7.37791 -53.341 -38.4012 21.3186 -8.19948 23.3079 -2.95498 TIMING: 1875200 CPU: 5980.25, 0.00317042/step Wall: 5980.25, 0.00317042/step, 2.75192 hours remaining, 240.101562 MB of memory in use. ENERGY: 1875200 4023.7953 20519.4938 14515.3428 242.6665 -203514.7507 2609.4774 0.0000 0.0000 51984.6390 -109619.3360 298.7564 -161603.9750 -109255.7120 299.3083 -173.6808 -145.2979 761475.7836 -2.0127 -1.9195 PRESSURE: 1875400 217.58 168.365 -259.819 168.365 320.463 153.976 -259.819 153.975 180.558 GPRESSURE: 1875400 260.328 121.109 -216.878 126.674 344.377 164.974 -164.616 221.672 183.158 PRESSAVG: 1875400 -2.79888 -6.63508 -49.1595 -6.63507 -25.3205 65.703 -49.1595 65.703 16.8576 GPRESSAVG: 1875400 -3.87343 -5.56167 -48.0639 -7.75054 -24.6211 64.8521 -45.1001 64.9691 17.214 TIMING: 1875400 CPU: 5980.89, 0.0031804/step Wall: 5980.89, 0.0031804/step, 2.76041 hours remaining, 240.101562 MB of memory in use. ENERGY: 1875400 3980.5231 20431.3709 14508.0888 234.7283 -203867.6609 2778.4318 0.0000 0.0000 52204.3471 -109730.1709 300.0191 -161934.5180 -109361.7869 298.9712 239.5334 262.6213 758915.5897 -3.7539 -3.7602 PRESSURE: 1875600 -422.602 -272.026 -135.972 -272.025 41.5995 -72.4821 -135.972 -72.4815 -263.042 GPRESSURE: 1875600 -319.342 -258.856 -210.418 -187.93 13.2412 -15.7755 -150.557 45.3086 -251.523 PRESSAVG: 1875600 -21.9281 -15.6934 -68.4809 -15.6935 41.2598 43.8184 -68.481 43.8184 19.9737 GPRESSAVG: 1875600 -19.9854 -14.9282 -68.9596 -16.8858 40.3763 45.8048 -68.9848 44.1015 19.9388 TIMING: 1875600 CPU: 5981.53, 0.00319866/step Wall: 5981.53, 0.00319866/step, 2.77608 hours remaining, 240.101562 MB of memory in use. ENERGY: 1875600 4024.4567 20360.4568 14549.3776 240.7404 -203535.0724 2683.4948 0.0000 0.0000 52041.8842 -109634.6620 299.0854 -161676.5461 -109261.8918 298.9207 -214.6813 -185.8746 761580.4432 13.1018 13.4433 PRESSURE: 1875800 -468.832 -0.511078 -206.445 -0.511471 33.8999 -180.093 -206.445 -180.093 -259.157 GPRESSURE: 1875800 -350.039 23.4566 -148.522 74.0884 -51.6611 -184.161 -152.21 -257.631 -231.571 PRESSAVG: 1875800 -6.39505 -23.0129 2.80506 -23.0128 -28.4941 -29.458 2.805 -29.4581 -17.7486 GPRESSAVG: 1875800 -7.05835 -23.6414 3.2145 -21.836 -29.069 -30.5087 2.31018 -28.1646 -16.0825 TIMING: 1875800 CPU: 5982.17, 0.00320055/step Wall: 5982.17, 0.00320054/step, 2.77754 hours remaining, 240.101562 MB of memory in use. ENERGY: 1875800 3982.8235 20485.2973 14527.0660 259.9506 -202950.5092 1901.4967 0.0000 0.0000 52115.1210 -109678.7541 299.5063 -161793.8752 -109301.7905 298.8604 -231.3629 -211.0904 761389.9121 -17.5459 -17.4033 PRESSURE: 1876000 -2.00303 -33.2761 -137.621 -33.2763 -331.943 -12.7783 -137.622 -12.7773 -25.0643 GPRESSURE: 1876000 23.7955 30.1093 -102.585 105.202 -254.005 32.2872 -144.481 7.62032 -38.3069 PRESSAVG: 1876000 -14.6531 11.3015 15.1144 11.3015 -11.4553 -65.041 15.1145 -65.041 23.3232 GPRESSAVG: 1876000 -14.2179 11.1675 16.4325 12.3389 -11.4073 -65.2819 15.1418 -67.2152 22.8047 TIMING: 1876000 CPU: 5982.8, 0.00315166/step Wall: 5982.8, 0.00315166/step, 2.73494 hours remaining, 240.101562 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: 1876000 3939.4824 20501.6043 14558.2152 238.2601 -203618.6560 2516.7403 0.0000 0.0000 52097.4794 -109766.8742 299.4049 -161864.3537 -109402.4355 298.5199 -119.6699 -89.5054 761363.2954 -0.9284 -0.9402 PRESSURE: 1876200 -405.88 74.9404 -36.0631 74.9405 -317.309 149.736 -36.0623 149.736 45.6272 GPRESSURE: 1876200 -170.753 -52.8676 34.6992 12.5238 -364.307 116.519 -95.5714 23.9686 -36.1719 PRESSAVG: 1876200 32.5754 -32.691 13.9038 -32.691 8.32892 -10.5897 13.9038 -10.5898 5.79641 GPRESSAVG: 1876200 34.1855 -30.717 12.8563 -35.7331 8.5451 -11.9176 12.0905 -12.486 4.57638 TIMING: 1876200 CPU: 5983.43, 0.00317663/step Wall: 5983.43, 0.00317663/step, 2.75643 hours remaining, 240.101562 MB of memory in use. ENERGY: 1876200 4044.8117 20405.4006 14542.9705 248.8381 -203434.7209 2650.4148 0.0000 0.0000 51884.0351 -109658.2502 298.1783 -161542.2853 -109292.3276 298.0760 -225.8539 -190.4107 761365.8575 15.5669 15.7690 LDB: ============= START OF LOAD BALANCING ============== 5995.89 LDB: ============== END OF LOAD BALANCING =============== 5995.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5995.89 LDB: ============= START OF LOAD BALANCING ============== 5996.2 LDB: Largest compute 7034 load 0.036390 is 18.7% of average load 0.195047 LDB: Average compute 0.004425 is 2.3% of average load 0.195047 LDB: TIME 5996.21 LOAD: AVG 0.195047 MAX 0.216295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 5996.21 LOAD: AVG 0.195047 MAX 0.216295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: TIME 5996.21 LOAD: AVG 0.195047 MAX 0.216295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: ============== END OF LOAD BALANCING =============== 5996.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5996.22 PRESSURE: 1876400 243.563 -231.054 107.373 -231.054 320.413 30.0259 107.373 30.0262 194.396 GPRESSURE: 1876400 438.707 -150.908 42.0111 -124.592 201.465 -8.60435 -12.1717 35.7871 173.285 PRESSAVG: 1876400 -11.8305 -19.8377 11.7833 -19.8377 9.80841 16.4014 11.7833 16.4015 -19.4779 GPRESSAVG: 1876400 -12.3185 -21.1592 10.6429 -18.1706 8.93742 18.2566 13.3384 19.0425 -18.5825 TIMING: 1876400 CPU: 5984.08, 0.00323066/step Wall: 5984.08, 0.00323066/step, 2.80314 hours remaining, 241.136719 MB of memory in use. ENERGY: 1876400 3960.5880 20481.1112 14588.1490 243.1072 -204195.9111 3116.1233 0.0000 0.0000 52162.1225 -109644.7099 299.7764 -161806.8323 -109274.6677 298.9727 252.7907 271.1522 759228.6477 -7.1667 -7.3212 PRESSURE: 1876600 -90.0942 -231.502 -22.4343 -231.502 20.6104 163.67 -22.4343 163.671 -388.59 GPRESSURE: 1876600 -156.616 -266.408 100.553 -150.392 139.629 257.666 -163.822 103.312 -353.252 PRESSAVG: 1876600 -21.3249 -55.8126 -49.5487 -55.8125 19.0978 41.4248 -49.5487 41.4248 24.2155 GPRESSAVG: 1876600 -22.9659 -57.6972 -49.0121 -52.8128 21.0729 40.8212 -48.6661 41.4241 24.0733 TIMING: 1876600 CPU: 5984.72, 0.00318314/step Wall: 5984.72, 0.00318314/step, 2.76173 hours remaining, 241.339844 MB of memory in use. ENERGY: 1876600 4034.1871 20530.7783 14517.6804 241.6161 -203699.0840 2735.5986 0.0000 0.0000 52040.6780 -109598.5455 299.0785 -161639.2235 -109238.0476 299.2052 -152.6914 -123.4128 760191.7571 7.3295 7.3934 PRESSURE: 1876800 198.101 -109.177 73.2099 -109.177 -19.5862 31.6711 73.2102 31.6711 120.177 GPRESSURE: 1876800 218.889 -210.821 116.238 -143.197 -81.03 -35.1601 157.268 48.1563 233.358 PRESSAVG: 1876800 8.85426 -95.4851 17.7243 -95.4851 37.5241 16.4412 17.7243 16.4412 -1.95742 GPRESSAVG: 1876800 10.6715 -93.9907 18.5525 -100.179 35.5389 15.8584 17.2212 14.6819 -2.17356 TIMING: 1876800 CPU: 5985.35, 0.0031626/step Wall: 5985.35, 0.0031626/step, 2.74373 hours remaining, 241.339844 MB of memory in use. ENERGY: 1876800 3889.8604 20596.1043 14510.1756 247.5016 -203433.0712 2699.8800 0.0000 0.0000 51898.9981 -109590.5512 298.2643 -161489.5493 -109230.2252 299.0956 99.5640 123.7390 761620.8998 14.8070 14.6790 PRESSURE: 1877000 33.7109 -222.067 219.484 -222.067 -128.4 -13.9515 219.484 -13.9522 55.0939 GPRESSURE: 1877000 -83.8606 -117.287 162.184 -294.243 -29.8368 -65.5225 57.4994 94.2446 163.68 PRESSAVG: 1877000 -8.40639 -32.286 42.5724 -32.286 43.6625 36.5107 42.5724 36.5107 -3.2931 GPRESSAVG: 1877000 -10.0435 -32.6539 43.2179 -31.6146 44.3697 36.9854 40.5676 37.4696 -2.33786 TIMING: 1877000 CPU: 5985.99, 0.00318156/step Wall: 5985.99, 0.00318156/step, 2.76 hours remaining, 241.339844 MB of memory in use. ENERGY: 1877000 3949.1258 20423.3547 14463.5818 242.5842 -202861.7122 2294.0662 0.0000 0.0000 51818.1387 -109670.8608 297.7996 -161488.9995 -109310.9321 298.9715 -13.1984 16.6610 761188.2362 10.6543 10.6628 PRESSURE: 1877200 283.635 75.6022 -37.3783 75.6031 239.917 90.6074 -37.3784 90.6065 22.4552 GPRESSURE: 1877200 307.398 106.476 -83.4538 17.0494 275.543 88.7667 35.8227 162.249 65.986 PRESSAVG: 1877200 -7.25073 1.96778 14.3219 1.96775 -27.4352 31.3511 14.3219 31.3511 1.43028 GPRESSAVG: 1877200 -6.1717 0.810232 11.6641 5.0736 -26.2634 29.6245 16.7972 32.8599 0.0115682 TIMING: 1877200 CPU: 5986.62, 0.00317178/step Wall: 5986.62, 0.00317178/step, 2.75134 hours remaining, 241.339844 MB of memory in use. ENERGY: 1877200 4007.4651 20514.3644 14504.8726 246.5754 -203420.8517 2670.3302 0.0000 0.0000 51940.3676 -109536.8763 298.5020 -161477.2439 -109183.5401 299.1120 182.0021 216.3091 761553.3886 -11.0852 -10.8078 PRESSURE: 1877400 -334.401 5.50581 -134.752 5.50562 -255.788 48.8947 -134.752 48.8947 151.447 GPRESSURE: 1877400 -328.835 -1.22494 -86.5978 -149.215 -129.78 21.4366 -22.6759 110.495 107.734 PRESSAVG: 1877400 -32.8178 -33.461 -35.9341 -33.461 90.4852 24.2327 -35.9341 24.2327 7.00129 GPRESSAVG: 1877400 -33.5411 -32.8993 -34.3398 -35.3869 90.1489 26.643 -36.5614 22.4277 7.47015 TIMING: 1877400 CPU: 5987.25, 0.00317622/step Wall: 5987.25, 0.00317622/step, 2.75502 hours remaining, 241.339844 MB of memory in use. ENERGY: 1877400 4001.6433 20623.6661 14526.0962 249.2260 -203714.1154 2807.1753 0.0000 0.0000 52036.4192 -109469.8895 299.0540 -161506.3087 -109113.3313 298.9885 -146.2472 -116.9605 762149.7642 21.5562 21.3593 PRESSURE: 1877600 -26.412 58.7199 6.67538 58.719 76.2399 -101.931 6.6748 -101.931 -77.7362 GPRESSURE: 1877600 17.0406 106.738 13.7656 46.2196 82.3101 -107.239 96.7044 -149.553 -44.7374 PRESSAVG: 1877600 -73.3345 -44.2323 -29.1283 -44.2323 15.8578 -7.12421 -29.1284 -7.12423 -9.06647 GPRESSAVG: 1877600 -72.933 -43.7226 -30.2483 -43.4264 15.8769 -6.61432 -29.7342 -8.65101 -9.73455 TIMING: 1877600 CPU: 5987.89, 0.00316006/step Wall: 5987.89, 0.00316006/step, 2.74083 hours remaining, 241.339844 MB of memory in use. ENERGY: 1877600 4037.0060 20353.7993 14551.5184 250.3942 -203866.1410 2968.7217 0.0000 0.0000 52181.5862 -109523.1154 299.8883 -161704.7015 -109154.8023 299.3363 -9.3028 18.2044 760601.6606 -22.1811 -22.2635 PRESSURE: 1877800 200.121 0.940912 120.652 0.942177 -176.944 41.191 120.652 41.192 -226.552 GPRESSURE: 1877800 169.062 -55.8927 34.0772 12.5247 -82.1863 85.5143 30.6507 94.2594 -204.37 PRESSAVG: 1877800 -0.727109 -33.173 -55.6225 -33.173 -3.02918 -1.06604 -55.6225 -1.066 30.3065 GPRESSAVG: 1877800 -0.63243 -35.2843 -55.1614 -30.9515 -3.28089 -1.64127 -55.3688 -0.376036 30.7585 TIMING: 1877800 CPU: 5988.52, 0.00315806/step Wall: 5988.52, 0.00315806/step, 2.73891 hours remaining, 241.339844 MB of memory in use. ENERGY: 1877800 3961.6667 20545.8503 14498.6323 244.1194 -203283.0230 2323.5899 0.0000 0.0000 52070.5427 -109638.6215 299.2501 -161709.1643 -109288.5630 299.2823 -67.7917 -39.1647 761633.0106 8.8501 8.9484 PRESSURE: 1878000 -6.67989 105.384 -216.165 105.384 -3.60976 -268.87 -216.164 -268.87 -239.276 GPRESSURE: 1878000 0.525669 58.6915 -258.835 43.6543 35.2332 -279.213 -36.1173 -203.53 -206.247 PRESSAVG: 1878000 -29.2677 -39.1971 -20.8943 -39.1971 43.3883 13.2477 -20.8943 13.2477 24.0185 GPRESSAVG: 1878000 -28.9013 -36.557 -20.563 -42.2259 42.4247 12.7759 -21.4879 12.6788 23.9401 TIMING: 1878000 CPU: 5989.15, 0.0031581/step Wall: 5989.15, 0.0031581/step, 2.73877 hours remaining, 241.339844 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: 1878000 4005.2220 20413.8920 14498.9276 252.3953 -203482.0908 2644.3756 0.0000 0.0000 51936.0357 -109731.2427 298.4771 -161667.2784 -109370.6423 299.0505 -83.1885 -56.8293 761438.7353 12.7130 12.4878 PRESSURE: 1878200 -140.643 -225.499 -61.2777 -225.499 -149.495 14.599 -61.2781 14.5989 -354.934 GPRESSURE: 1878200 -117.749 -249.673 -74.7982 -115.17 -96.4954 78.4163 -78.6098 -98.435 -339.813 PRESSAVG: 1878200 -12.2577 -65.6856 -34.3166 -65.6856 -24.9596 -3.18226 -34.3165 -3.18226 15.8494 GPRESSAVG: 1878200 -12.7858 -67.5082 -33.0609 -63.4341 -24.1207 -3.6886 -34.3072 -2.9354 15.6179 TIMING: 1878200 CPU: 5989.79, 0.00319721/step Wall: 5989.79, 0.00319721/step, 2.77251 hours remaining, 241.339844 MB of memory in use. ENERGY: 1878200 4021.8946 20368.9687 14488.0565 244.3951 -203466.8263 2566.0553 0.0000 0.0000 52004.3302 -109773.1260 298.8696 -161777.4561 -109403.7186 298.8627 -215.0240 -184.6856 761373.7983 -7.1226 -7.0962 PRESSURE: 1878400 576.25 99.8055 -267.181 99.8052 87.4308 43.5949 -267.181 43.594 -27.79 GPRESSURE: 1878400 546.227 114.916 -266.433 56.8901 160.672 50.7004 -225.294 51.8038 6.19926 PRESSAVG: 1878400 14.3588 -14.5394 14.6707 -14.5394 -18.4122 54.0425 14.6706 54.0426 7.17225 GPRESSAVG: 1878400 14.5995 -14.4399 12.2143 -15.8616 -18.4993 53.9556 15.5331 56.0138 7.16248 TIMING: 1878400 CPU: 5990.42, 0.00317289/step Wall: 5990.42, 0.00317289/step, 2.75125 hours remaining, 241.339844 MB of memory in use. ENERGY: 1878400 3920.4146 20456.3095 14515.6855 243.9139 -204018.7119 2927.7960 0.0000 0.0000 52045.0928 -109909.4996 299.1039 -161954.5924 -109541.0781 298.5841 211.9635 237.6995 760553.8027 1.0396 1.0876 PRESSURE: 1878600 -361.557 -131.662 -202.466 -131.661 113.768 -155.468 -202.465 -155.468 -96.2687 GPRESSURE: 1878600 -219.549 2.008 -179.977 -47.4015 112.055 -149.381 -89.5799 -88.4417 -174.233 PRESSAVG: 1878600 23.087 -5.95254 45.9478 -5.95252 18.0106 21.0852 45.9478 21.0852 -6.88739 GPRESSAVG: 1878600 24.5337 -4.96294 47.685 -5.02529 17.1885 21.635 44.448 21.1207 -7.04783 TIMING: 1878600 CPU: 5991.06, 0.00316472/step Wall: 5991.06, 0.00316472/step, 2.74398 hours remaining, 241.339844 MB of memory in use. ENERGY: 1878600 4008.5693 20499.9857 14492.6573 246.8433 -203716.2312 2557.0205 0.0000 0.0000 51845.1890 -110065.9660 297.9550 -161911.1550 -109706.5519 298.4364 -114.6859 -93.9091 761900.9097 11.4034 11.5581 PRESSURE: 1878800 -131.053 5.6196 96.023 5.62013 -76.7301 243.648 96.0234 243.648 -424.578 GPRESSURE: 1878800 -155.858 -63.168 -47.6843 -5.27621 40.1987 200.187 141.614 268.938 -420.327 PRESSAVG: 1878800 -11.8751 -7.55687 26.6166 -7.55688 31.789 74.4572 26.6166 74.4571 -11.8145 GPRESSAVG: 1878800 -13.8568 -7.62692 26.2712 -8.22611 32.6409 73.5342 26.647 74.0659 -10.6737 TIMING: 1878800 CPU: 5991.69, 0.00316571/step Wall: 5991.69, 0.00316571/step, 2.74467 hours remaining, 241.339844 MB of memory in use. ENERGY: 1878800 3989.4661 20386.5342 14555.7009 256.9941 -203823.6606 2754.3418 0.0000 0.0000 51926.3123 -109954.3111 298.4212 -161880.6234 -109588.7842 298.1912 -210.7871 -178.6620 762297.7911 2.6998 2.7034 PRESSURE: 1879000 -183.89 49.3658 -3.47095 49.3658 -183.098 275.407 -3.47033 275.406 152.731 GPRESSURE: 1879000 -129.467 -47.4813 79.4791 -26.8686 -227.209 272.345 0.674617 75.2755 243.455 PRESSAVG: 1879000 -34.0333 -48.5584 21.3304 -48.5584 -18.0368 30.6544 21.3304 30.6544 -21.652 GPRESSAVG: 1879000 -33.1424 -49.5657 21.1887 -49.2378 -19.1992 30.8889 22.2113 27.7236 -21.7387 TIMING: 1879000 CPU: 5992.32, 0.00316923/step Wall: 5992.32, 0.00316923/step, 2.74755 hours remaining, 241.339844 MB of memory in use. ENERGY: 1879000 4015.0145 20422.3500 14505.1627 237.0007 -203533.5652 2537.8851 0.0000 0.0000 51873.1351 -109943.0170 298.1156 -161816.1521 -109587.4546 298.6041 -71.4191 -37.7406 761225.9814 -24.5740 -24.6934 PRESSURE: 1879200 119.727 -180.524 158.955 -180.525 -45.6861 94.8559 158.956 94.8571 53.2356 GPRESSURE: 1879200 257.287 -147.388 141.016 -150.909 -84.6144 136.277 76.67 43.5502 24.2152 PRESSAVG: 1879200 16.1874 -37.4905 12.7119 -37.4905 -11.3072 -12.553 12.712 -12.553 9.27358 GPRESSAVG: 1879200 17.2192 -35.0768 11.5709 -34.9802 -11.6597 -12.5537 12.6402 -11.251 7.86985 TIMING: 1879200 CPU: 5992.96, 0.00316588/step Wall: 5992.96, 0.00316588/step, 2.74447 hours remaining, 241.339844 MB of memory in use. ENERGY: 1879200 4002.6747 20470.4426 14467.1490 246.7154 -203416.4839 2442.4900 0.0000 0.0000 51949.8454 -109837.1668 298.5565 -161787.0122 -109477.7939 298.8496 42.4256 65.6294 761837.4435 4.7179 4.4765 PRESSURE: 1879400 216.377 -42.864 0.477195 -42.8628 5.53161 -48.691 0.477354 -48.6896 43.6454 GPRESSURE: 1879400 224.038 82.0252 -63.6103 -78.717 110.202 -16.3725 -28.4898 49.9814 1.29591 PRESSAVG: 1879400 32.9496 -29.4256 39.134 -29.4256 -22.886 -25.4503 39.134 -25.4504 11.1171 GPRESSAVG: 1879400 33.8933 -30.5484 39.5313 -31.1528 -23.7906 -24.9271 40.1422 -25.1191 11.5273 TIMING: 1879400 CPU: 5993.59, 0.00318078/step Wall: 5993.59, 0.00318078/step, 2.75721 hours remaining, 241.339844 MB of memory in use. ENERGY: 1879400 3971.2619 20626.5770 14518.9732 236.2295 -203644.2836 2583.4047 0.0000 0.0000 52046.6101 -109661.2271 299.1126 -161707.8372 -109304.9502 299.2556 88.5180 111.8454 760895.3287 7.0602 7.2100 PRESSURE: 1879600 208.725 121.056 174.097 121.056 284.007 98.7832 174.098 98.7826 218.022 GPRESSURE: 1879600 290.31 -25.3463 256.017 199.18 269.209 65.9329 78.1278 81.7009 231.306 PRESSAVG: 1879600 -15.546 -38.9888 45.9406 -38.9888 -10.1606 12.3376 45.9406 12.3376 11.2485 GPRESSAVG: 1879600 -17.6638 -40.4782 46.1369 -38.5767 -8.11038 13.2821 44.1534 12.0903 10.8202 TIMING: 1879600 CPU: 5994.23, 0.0031776/step Wall: 5994.23, 0.0031776/step, 2.75427 hours remaining, 241.339844 MB of memory in use. ENERGY: 1879600 3918.1416 20760.3875 14474.2282 241.6344 -203921.2359 2733.3392 0.0000 0.0000 52070.6470 -109722.8580 299.2507 -161793.5049 -109368.0464 299.4250 236.9180 263.6082 760812.0217 -4.8193 -4.9846 PRESSURE: 1879800 -40.5082 -150.274 -26.9688 -150.273 90.1108 12.5286 -26.9688 12.5287 4.97798 GPRESSURE: 1879800 -15.3049 -160.771 -16.7979 -141.288 198.734 -4.05572 -59.3794 77.1078 -41.2911 PRESSAVG: 1879800 -4.76131 -14.2576 -10.7794 -14.2576 -29.027 -23.3136 -10.7793 -23.3136 -17.3556 GPRESSAVG: 1879800 -4.36316 -11.7961 -10.7142 -14.1274 -28.6264 -24.5681 -9.79693 -24.3403 -17.5253 TIMING: 1879800 CPU: 5994.86, 0.00317221/step Wall: 5994.86, 0.00317221/step, 2.74943 hours remaining, 241.339844 MB of memory in use. ENERGY: 1879800 3938.8956 20503.0853 14510.9720 238.2331 -203226.7484 2444.5729 0.0000 0.0000 52146.1060 -109444.8835 299.6844 -161590.9896 -109078.5593 299.3302 18.1936 47.3793 762303.4736 -17.0480 -16.8383 PRESSURE: 1880000 91.8718 -160.094 -185.414 -160.095 97.379 -127.506 -185.415 -127.505 193.55 GPRESSURE: 1880000 96.9607 -133.269 -175.075 -179.702 153.65 -172.559 -101.956 -248.186 227.402 PRESSAVG: 1880000 -17.1983 -40.5174 18.2386 -40.5174 4.84277 -44.3126 18.2386 -44.3126 0.228813 GPRESSAVG: 1880000 -18.0831 -42.981 20.1755 -41.1417 5.30949 -43.7326 17.2062 -44.4436 0.560945 TIMING: 1880000 CPU: 5995.5, 0.00320328/step Wall: 5995.5, 0.00320328/step, 2.77618 hours remaining, 241.339844 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: 1880000 4005.1752 20419.6294 14563.0908 251.5591 -203224.3587 2379.9885 0.0000 0.0000 52043.7172 -109561.1984 299.0960 -161604.9156 -109190.1145 299.5257 127.6004 159.3374 759830.2106 -4.0423 -4.0709 PRESSURE: 1880200 64.5538 -44.4847 30.965 -44.4842 267.602 225.938 30.9654 225.938 401.063 GPRESSURE: 1880200 26.5395 4.94493 -32.1464 34.3772 353.822 190.893 -2.4199 150.535 447.237 PRESSAVG: 1880200 -61.6866 -119.686 6.98914 -119.686 30.7201 -19.926 6.98923 -19.9259 5.70564 GPRESSAVG: 1880200 -60.3765 -120.529 6.44348 -118.296 29.4284 -19.0087 6.9246 -20.1571 5.42644 TIMING: 1880200 CPU: 5996.14, 0.00317105/step Wall: 5996.14, 0.00317105/step, 2.74807 hours remaining, 241.339844 MB of memory in use. ENERGY: 1880200 3987.7166 20494.3957 14503.1376 238.7234 -203580.8335 2780.8527 0.0000 0.0000 51889.2507 -109686.7570 298.2082 -161576.0076 -109335.5321 299.4168 244.4064 275.8660 760828.4981 -8.4203 -8.5072 LDB: ============= START OF LOAD BALANCING ============== 6008.59 LDB: ============== END OF LOAD BALANCING =============== 6008.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6008.59 LDB: ============= START OF LOAD BALANCING ============== 6008.91 LDB: Largest compute 7078 load 0.035093 is 18.0% of average load 0.195129 LDB: Average compute 0.004412 is 2.3% of average load 0.195129 LDB: TIME 6008.91 LOAD: AVG 0.195129 MAX 0.217055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 6008.91 LOAD: AVG 0.195129 MAX 0.217055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: TIME 6008.91 LOAD: AVG 0.195129 MAX 0.217055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: ============== END OF LOAD BALANCING =============== 6008.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6008.92 PRESSURE: 1880400 -99.2399 66.8141 -87.6731 66.8145 -99.1989 103.347 -87.6725 103.348 -211.692 GPRESSURE: 1880400 -41.4502 108.424 -59.8994 0.463815 -84.0025 57.3046 -79.2 169.411 -193.638 PRESSAVG: 1880400 -11.5563 -86.0479 71.4589 -86.048 0.987848 32.4837 71.4589 32.4837 0.882079 GPRESSAVG: 1880400 -12.9635 -84.2645 69.9035 -85.8114 1.25798 30.5499 70.9479 33.9267 1.69117 TIMING: 1880400 CPU: 5996.78, 0.00322267/step Wall: 5996.78, 0.00322266/step, 2.79262 hours remaining, 240.808594 MB of memory in use. ENERGY: 1880400 3933.4214 20534.3518 14523.5248 256.5947 -203200.3653 2559.6595 0.0000 0.0000 51890.5344 -109502.2789 298.2156 -161392.8132 -109146.0407 298.7096 -136.7104 -106.3636 761011.1774 -3.2288 -3.3381 PRESSURE: 1880600 -428.106 -24.6675 103.992 -24.6685 -44.276 36.0048 103.992 36.0052 -133.939 GPRESSURE: 1880600 -360.328 6.49658 85.1773 -64.9188 -19.6679 17.2802 252.49 147.733 -134.59 PRESSAVG: 1880600 -7.51218 -61.7486 -17.2193 -61.7486 14.6604 13.3012 -17.2193 13.3012 -2.19977 GPRESSAVG: 1880600 -7.33275 -59.97 -16.2308 -62.2577 14.4947 14.3123 -15.5263 12.3389 -2.31792 TIMING: 1880600 CPU: 5997.42, 0.00316734/step Wall: 5997.42, 0.00316734/step, 2.7445 hours remaining, 240.808594 MB of memory in use. ENERGY: 1880600 4052.7538 20350.1655 14545.7743 249.5104 -203080.6717 2458.6067 0.0000 0.0000 51913.0692 -109510.7918 298.3451 -161423.8610 -109139.0486 299.2077 -202.1069 -171.5287 761595.7872 1.6495 1.6147 PRESSURE: 1880800 -57.1624 -134.515 -177.862 -134.515 -45.1292 108.491 -177.862 108.49 -109.111 GPRESSURE: 1880800 -12.6823 -94.8617 -139.885 -87.3038 -18.6904 172.233 -259.13 213.98 -111.63 PRESSAVG: 1880800 -28.8085 -54.3285 72.6001 -54.3285 -5.161 -28.1567 72.6001 -28.1565 13.2632 GPRESSAVG: 1880800 -27.8704 -55.099 72.4056 -54.2116 -5.08469 -27.393 71.6634 -26.8945 12.3178 TIMING: 1880800 CPU: 5998.05, 0.00315883/step Wall: 5998.05, 0.00315883/step, 2.73695 hours remaining, 240.808594 MB of memory in use. ENERGY: 1880800 3996.4173 20363.7450 14481.5337 252.0908 -203147.3534 2564.8671 0.0000 0.0000 52182.9980 -109305.7015 299.8964 -161488.6995 -108944.9041 299.5504 -70.4677 -47.6675 761955.7026 -6.9021 -6.8791 PRESSURE: 1881000 -26.1995 132.716 -130.316 132.717 18.5424 31.3507 -130.315 31.3512 265.905 GPRESSURE: 1881000 42.2716 36.5413 7.27769 26.7483 29.5653 31.2331 -112.04 -4.43108 280.023 PRESSAVG: 1881000 13.9868 -0.702511 47.1777 -0.702534 -60.8651 2.27988 47.1778 2.27983 11.4352 GPRESSAVG: 1881000 12.2821 -1.11462 48.4382 -1.67246 -60.1788 2.68895 45.9706 -0.157238 12.3507 TIMING: 1881000 CPU: 5998.68, 0.00316464/step Wall: 5998.68, 0.00316464/step, 2.74181 hours remaining, 240.808594 MB of memory in use. ENERGY: 1881000 3993.9909 20410.7977 14481.1488 252.5629 -203392.5356 2827.7135 0.0000 0.0000 52219.5861 -109206.7357 300.1067 -161426.3218 -108851.6692 299.7116 86.0828 117.2866 763560.4076 -11.8144 -11.8486 PRESSURE: 1881200 35.5218 156.29 88.9913 156.289 -190.329 -136.317 88.9922 -136.317 10.3615 GPRESSURE: 1881200 48.5004 299.047 106.729 134.784 -171.537 -88.393 146.538 -263.453 60.1496 PRESSAVG: 1881200 2.7119 7.57094 31.607 7.57099 22.2399 3.7131 31.607 3.71313 11.5688 GPRESSAVG: 1881200 2.73155 7.54851 29.4157 10.5035 21.8767 2.30728 32.3901 7.04448 11.8135 TIMING: 1881200 CPU: 5999.31, 0.00316551/step Wall: 5999.31, 0.00316551/step, 2.74239 hours remaining, 240.808594 MB of memory in use. ENERGY: 1881200 3996.8290 20464.7490 14475.3678 240.9174 -203098.1898 2519.3307 0.0000 0.0000 52232.5916 -109168.4043 300.1814 -161400.9959 -108807.7273 300.1512 -48.1484 -20.9625 761817.4868 12.1736 12.1406 PRESSURE: 1881400 -101.296 -33.1887 93.0867 -33.1893 -127.763 -4.94495 93.0873 -4.94396 -187.86 GPRESSURE: 1881400 -140.644 -50.6758 140.868 -168.289 -37.3114 30.2791 86.669 -5.7994 -167.634 PRESSAVG: 1881400 -3.89938 -41.4323 -2.00345 -41.4323 -25.095 45.3218 -2.00342 45.3217 -14.1131 GPRESSAVG: 1881400 -3.23045 -43.7669 -1.47132 -42.7072 -25.4276 45.6064 0.0747773 42.5735 -14.617 TIMING: 1881400 CPU: 5999.95, 0.0031781/step Wall: 5999.95, 0.0031781/step, 2.75312 hours remaining, 240.808594 MB of memory in use. ENERGY: 1881400 3932.7361 20440.4043 14423.1090 256.0743 -203007.1164 2387.6849 0.0000 0.0000 52328.9395 -109238.1683 300.7351 -161567.1078 -108871.6157 299.9402 -138.9729 -115.1964 760192.1080 -14.3692 -14.4250 PRESSURE: 1881600 -65.3087 -30.073 -110.843 -30.0734 103.635 0.0635021 -110.843 0.06436 20.5144 GPRESSURE: 1881600 -26.4496 -47.8593 -130.475 -97.6025 72.8209 -6.83978 -59.3813 7.79414 91.8397 PRESSAVG: 1881600 0.181432 5.59482 44.1498 5.59472 -0.976676 -26.0825 44.1498 -26.0824 -2.85388 GPRESSAVG: 1881600 0.287181 7.85105 44.0992 6.1135 -1.81416 -26.4098 42.8816 -23.9532 -2.6396 TIMING: 1881600 CPU: 6000.59, 0.00317959/step Wall: 6000.59, 0.00317959/step, 2.75423 hours remaining, 240.808594 MB of memory in use. ENERGY: 1881600 3877.1646 20247.3751 14484.8488 218.5398 -203316.2015 2638.0561 0.0000 0.0000 52276.5704 -109573.6466 300.4342 -161850.2171 -109207.0610 299.4461 19.6137 46.0703 760671.5968 -1.2164 -1.3889 PRESSURE: 1881800 -229.719 -62.8393 134.629 -62.839 -239.721 81.7394 134.629 81.7408 112.754 GPRESSURE: 1881800 -115.69 -29.2788 162.779 -3.60669 -246.327 21.4559 205.876 -24.0247 74.1431 PRESSAVG: 1881800 46.8873 -5.17999 48.1382 -5.17998 -22.1731 -39.4792 48.1382 -39.4793 27.5382 GPRESSAVG: 1881800 46.6396 -4.45882 48.7232 -4.6161 -21.2057 -40.2185 48.9259 -39.6757 26.7172 TIMING: 1881800 CPU: 6001.22, 0.00317401/step Wall: 6001.22, 0.00317401/step, 2.74922 hours remaining, 240.808594 MB of memory in use. ENERGY: 1881800 4029.6863 20517.3666 14441.8796 250.5302 -202905.7410 2099.0390 0.0000 0.0000 51977.8758 -109589.3635 298.7176 -161567.2392 -109233.6960 299.4279 -118.8956 -95.9578 761268.7336 17.4175 17.3837 PRESSURE: 1882000 330.193 -217.974 255.064 -217.973 -73.7209 -88.7357 255.064 -88.7355 96.7855 GPRESSURE: 1882000 340.277 -156.539 229.049 -143.326 -35.1126 -172.28 49.1954 -20.2199 120.493 PRESSAVG: 1882000 -14.6573 -21.6517 45.6675 -21.6516 26.7896 -38.9907 45.6676 -38.9906 19.4074 GPRESSAVG: 1882000 -14.3345 -19.9448 44.4265 -24.0354 25.8157 -37.4904 42.6263 -41.117 19.9924 TIMING: 1882000 CPU: 6001.86, 0.00318194/step Wall: 6001.86, 0.00318194/step, 2.75591 hours remaining, 240.808594 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: 1882000 4015.4638 20599.3189 14482.2499 245.9817 -203579.9894 2568.3458 0.0000 0.0000 52148.7405 -109519.8887 299.6995 -161668.6293 -109162.0928 299.2790 117.7524 141.8857 760680.6525 10.5132 10.4912 PRESSURE: 1882200 -456.661 53.2818 214.189 53.2825 -488.38 -12.4018 214.188 -12.4018 -306.372 GPRESSURE: 1882200 -410.035 49.5224 241.8 209.169 -416.664 -37.9563 135.608 39.4629 -350.659 PRESSAVG: 1882200 7.33966 -26.3481 9.69536 -26.3479 0.942695 -51.2144 9.69539 -51.2144 9.76741 GPRESSAVG: 1882200 6.93846 -28.7506 11.5381 -23.6049 1.48136 -50.7034 11.9657 -48.6574 9.46091 TIMING: 1882200 CPU: 6002.49, 0.00316996/step Wall: 6002.49, 0.00316996/step, 2.74536 hours remaining, 240.808594 MB of memory in use. ENERGY: 1882200 3961.5059 20419.3433 14371.7532 235.9639 -203005.8214 2239.7070 0.0000 0.0000 52139.7603 -109637.7877 299.6479 -161777.5481 -109272.1509 299.3087 -417.1374 -392.4525 761508.4556 6.0166 5.9602 PRESSURE: 1882400 -213.054 15.1992 -164.396 15.1989 18.6713 -58.7744 -164.395 -58.7739 -252.837 GPRESSURE: 1882400 -213.084 16.6002 -82.2826 -57.6967 46.6519 -172.127 -87.8593 -70.7155 -176.401 PRESSAVG: 1882400 -60.8768 -1.46644 9.0624 -1.46643 14.3781 -3.8758 9.06238 -3.87572 1.08128 GPRESSAVG: 1882400 -60.1718 -1.20444 6.86409 -2.46257 13.1767 -5.04624 8.59683 -3.37262 1.76087 TIMING: 1882400 CPU: 6003.12, 0.00316429/step Wall: 6003.12, 0.00316429/step, 2.74028 hours remaining, 240.808594 MB of memory in use. ENERGY: 1882400 3994.4387 20495.5812 14453.9586 267.5332 -203650.6486 2682.4608 0.0000 0.0000 52031.8041 -109724.8720 299.0275 -161756.6761 -109365.1814 299.1930 -149.0735 -114.2776 761020.1906 -15.1391 -15.0781 PRESSURE: 1882600 200.978 -53.2039 -2.59886 -53.2031 -144.705 198.293 -2.59807 198.293 23.153 GPRESSURE: 1882600 314.787 -31.1213 91.6144 24.37 -121.212 195.85 -168.224 232.493 -4.79099 PRESSAVG: 1882600 27.8702 -64.6027 -9.04762 -64.6026 -10.6116 37.0783 -9.04759 37.0783 -6.09911 GPRESSAVG: 1882600 26.9197 -62.8916 -7.66799 -66.2068 -9.24551 36.7941 -9.80741 36.977 -7.00342 TIMING: 1882600 CPU: 6003.75, 0.00314775/step Wall: 6003.75, 0.00314775/step, 2.72577 hours remaining, 240.808594 MB of memory in use. ENERGY: 1882600 3958.2247 20421.1919 14510.5209 246.8178 -203506.0517 2697.1743 0.0000 0.0000 52009.8117 -109662.3103 298.9011 -161672.1220 -109303.4860 299.1808 26.4754 62.9280 760790.9946 3.7198 3.5569 PRESSURE: 1882800 -145.88 -192.455 7.93704 -192.455 -12.342 18.6566 7.93779 18.6593 -253.092 GPRESSURE: 1882800 -113.276 -117.501 11.8689 -110.696 -31.7856 9.85765 22.3236 50.2301 -162.734 PRESSAVG: 1882800 -20.8103 -18.8032 16.0357 -18.8032 17.6833 24.9991 16.0357 24.999 -1.69823 GPRESSAVG: 1882800 -20.1795 -21.1172 15.7247 -17.9369 16.9054 25.5598 18.1476 25.5859 -1.27642 TIMING: 1882800 CPU: 6004.39, 0.00317228/step Wall: 6004.39, 0.00317228/step, 2.74684 hours remaining, 240.808594 MB of memory in use. ENERGY: 1882800 3993.3385 20541.5059 14455.0859 224.4314 -203467.1902 2697.4122 0.0000 0.0000 52114.0420 -109441.3743 299.5001 -161555.4163 -109079.3850 299.5720 -137.1047 -102.5985 761688.4611 -1.6084 -1.5169 PRESSURE: 1883000 -116.796 -116.214 -143.787 -116.214 -484.703 8.5235 -143.787 8.5232 -236.268 GPRESSURE: 1883000 -114.188 -147.096 -74.5853 -37.7763 -393.49 40.4648 -45.8083 -4.81839 -247.61 PRESSAVG: 1883000 -2.08767 -40.4064 20.8428 -40.4064 12.0761 25.8578 20.8429 25.8578 22.8432 GPRESSAVG: 1883000 -3.06787 -37.5812 20.1968 -41.2202 13.2075 26.3014 20.0173 23.5084 22.3433 TIMING: 1883000 CPU: 6005.02, 0.00316019/step Wall: 6005.02, 0.00316019/step, 2.7362 hours remaining, 240.808594 MB of memory in use. ENERGY: 1883000 3956.2895 20487.0567 14511.7456 232.4363 -203411.0426 2332.9798 0.0000 0.0000 52353.0009 -109537.5337 300.8734 -161890.5346 -109168.5423 299.7164 -279.2555 -251.7628 761593.2518 10.9439 10.8276 PRESSURE: 1883200 132.977 120.407 -60.2977 120.406 68.9948 -105.078 -60.2971 -105.078 -75.2728 GPRESSURE: 1883200 261.211 217.327 -22.878 136.026 2.62441 -65.6936 -75.5243 -23.6485 -56.8755 PRESSAVG: 1883200 12.9468 -37.5113 -20.2639 -37.5113 22.9468 -0.260043 -20.2639 -0.260018 -4.36441 GPRESSAVG: 1883200 12.3755 -40.2615 -20.3423 -37.1055 22.7128 1.05819 -19.0225 -0.192234 -4.23157 TIMING: 1883200 CPU: 6005.65, 0.00317039/step Wall: 6005.65, 0.00317039/step, 2.74485 hours remaining, 240.808594 MB of memory in use. ENERGY: 1883200 4137.3126 20467.8479 14540.4194 248.8660 -203790.9763 2720.9089 0.0000 0.0000 52144.1230 -109531.4986 299.6730 -161675.6215 -109172.6116 299.7332 42.2332 68.9865 760435.3699 10.5097 10.2856 PRESSURE: 1883400 90.9225 126.734 50.1189 126.734 356.402 -54.9784 50.119 -54.9793 -85.0338 GPRESSURE: 1883400 133.264 110.353 -20.0717 -3.51607 254.294 15.574 91.5337 -138.599 24.7778 PRESSAVG: 1883400 1.49458 5.67174 51.913 5.67162 27.1845 -10.4924 51.9131 -10.4924 -2.89885 GPRESSAVG: 1883400 1.32753 7.56069 53.0029 7.22101 26.9318 -13.1291 50.7538 -9.94252 -2.61794 TIMING: 1883400 CPU: 6006.28, 0.00315114/step Wall: 6006.28, 0.00315114/step, 2.72801 hours remaining, 240.808594 MB of memory in use. ENERGY: 1883400 4058.4971 20531.3435 14566.4925 255.3918 -203368.9174 2330.5456 0.0000 0.0000 51991.5963 -109635.0507 298.7964 -161626.6469 -109269.6100 299.2706 120.7637 137.4454 759287.3190 8.5934 8.5471 PRESSURE: 1883600 -296.824 -52.9375 167.52 -52.9374 -311.419 95.006 167.52 95.0046 -368.342 GPRESSURE: 1883600 -212.419 -87.7512 174.583 -173.733 -314.044 38.1105 148.961 71.5795 -372.203 PRESSAVG: 1883600 35.6412 -17.1953 -38.4398 -17.1952 -31.3578 34.6886 -38.4398 34.6886 2.15689 GPRESSAVG: 1883600 36.4739 -20.1784 -38.9168 -17.5833 -32.2393 36.5302 -38.2933 35.6757 2.17744 TIMING: 1883600 CPU: 6006.92, 0.00316423/step Wall: 6006.92, 0.00316423/step, 2.73917 hours remaining, 240.808594 MB of memory in use. ENERGY: 1883600 4060.3918 20485.1830 14538.2796 243.1950 -203372.3294 2413.1259 0.0000 0.0000 51910.0997 -109722.0544 298.3281 -161632.1541 -109374.4400 298.8967 -325.5283 -299.5554 761542.4695 2.1468 2.1373 PRESSURE: 1883800 155.008 -134.245 86.6814 -134.246 -124.68 -163.4 86.6817 -163.401 147.432 GPRESSURE: 1883800 147.186 -157.643 118.172 -46.0744 -70.0241 -177.787 29.5299 -252.808 202.889 PRESSAVG: 1883800 28.6431 -32.656 -35.4984 -32.656 -30.3424 -33.7065 -35.4984 -33.7065 -3.2123 GPRESSAVG: 1883800 27.323 -30.9261 -36.2413 -34.6534 -27.8917 -33.5063 -36.0356 -33.5193 -4.54299 TIMING: 1883800 CPU: 6007.55, 0.00314895/step Wall: 6007.55, 0.00314895/step, 2.72576 hours remaining, 240.808594 MB of memory in use. ENERGY: 1883800 4002.5156 20374.3698 14426.7708 240.9491 -203555.2520 2726.3121 0.0000 0.0000 52077.5422 -109706.7923 299.2904 -161784.3345 -109326.6074 299.0564 59.2537 93.3504 760574.7350 -1.6372 -1.7039 PRESSURE: 1884000 -150.976 -73.7113 -4.71938 -73.7119 283.547 -69.5879 -4.72034 -69.5875 42.3336 GPRESSURE: 1884000 -13.1609 -100.247 -6.8311 59.2376 234.532 2.77314 -31.8286 -173.906 42.6404 PRESSAVG: 1884000 -49.6053 27.39 -4.35383 27.39 86.2423 -20.5732 -4.35392 -20.5732 6.77774 GPRESSAVG: 1884000 -48.3242 25.9022 -4.34612 27.0993 83.7016 -20.745 -2.3594 -21.4088 8.33617 TIMING: 1884000 CPU: 6008.18, 0.00315852/step Wall: 6008.18, 0.00315852/step, 2.73388 hours remaining, 240.808594 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: 1884000 3987.9659 20629.7847 14535.6030 239.6707 -203577.2424 2583.7254 0.0000 0.0000 52012.2223 -109588.2704 298.9150 -161600.4927 -109234.5973 299.3682 58.3014 88.0040 760119.5143 14.4716 14.5712 PRESSURE: 1884200 142.451 142.563 -44.3698 142.564 144.622 120.677 -44.3706 120.677 616.671 GPRESSURE: 1884200 279.259 206.997 -36.7508 64.3993 134.289 163.051 -160.543 44.7721 585.592 PRESSAVG: 1884200 -32.2413 -42.2053 18.5922 -42.2053 23.3305 25.4244 18.5922 25.4244 8.33819 GPRESSAVG: 1884200 -32.1078 -40.3436 18.5641 -42.4406 23.2425 25.6431 17.8409 25.0996 8.30831 TIMING: 1884200 CPU: 6008.81, 0.00317122/step Wall: 6008.81, 0.00317122/step, 2.74469 hours remaining, 240.808594 MB of memory in use. ENERGY: 1884200 3965.4577 20498.2279 14503.9459 243.7934 -203153.9960 2631.4639 0.0000 0.0000 51941.1209 -109369.9863 298.5063 -161311.1072 -109006.0006 299.5571 301.2479 333.0470 760963.5253 -0.1909 -0.1857 LDB: ============= START OF LOAD BALANCING ============== 6021.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6021.27 LDB: =============== DONE WITH MIGRATION ================ 6021.27 LDB: ============= START OF LOAD BALANCING ============== 6021.59 LDB: Largest compute 7024 load 0.035952 is 18.4% of average load 0.195037 LDB: Average compute 0.004423 is 2.3% of average load 0.195037 LDB: TIME 6021.59 LOAD: AVG 0.195037 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 6021.59 LOAD: AVG 0.195037 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: TIME 6021.59 LOAD: AVG 0.195037 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: ============== END OF LOAD BALANCING =============== 6021.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6021.6 PRESSURE: 1884400 -500.687 0.611933 251.746 0.611779 -57.2718 -79.5713 251.746 -79.5718 -124.006 GPRESSURE: 1884400 -443.726 -41.5839 277.497 135.224 -14.7932 -17.8434 131.98 -24.7458 -143.576 PRESSAVG: 1884400 50.52 -6.04704 4.23385 -6.04708 -17.8279 -18.245 4.2339 -18.2448 -5.6439 GPRESSAVG: 1884400 49.8975 -6.4322 6.14028 -5.25798 -16.5736 -17.3627 3.55375 -17.4385 -6.62934 TIMING: 1884400 CPU: 6009.46, 0.00324899/step Wall: 6009.46, 0.00324899/step, 2.81182 hours remaining, 241.375000 MB of memory in use. ENERGY: 1884400 3984.7947 20732.3874 14471.6762 242.2830 -202889.8684 2174.6382 0.0000 0.0000 51873.9653 -109410.1237 298.1204 -161284.0890 -109048.1444 300.1655 -227.3214 -200.6985 762073.3740 9.0161 8.8982 PRESSURE: 1884600 370.082 242.855 88.4092 242.853 184.998 62.6979 88.4082 62.6987 167.253 GPRESSURE: 1884600 370.469 215.168 8.16609 101.377 221.871 94.3725 -20.8035 37.6895 207.73 PRESSAVG: 1884600 21.2137 -6.97689 13.021 -6.97691 29.2494 28.6968 13.021 28.6968 21.6508 GPRESSAVG: 1884600 22.4571 -9.57552 13.3151 -6.54126 27.7821 26.8433 11.2037 31.352 21.9521 TIMING: 1884600 CPU: 6010.1, 0.00318311/step Wall: 6010.1, 0.00318311/step, 2.75463 hours remaining, 241.441406 MB of memory in use. ENERGY: 1884600 3971.7785 20630.4166 14571.2960 256.2876 -203147.6768 2327.7075 0.0000 0.0000 52084.3058 -109305.8848 299.3292 -161390.1906 -108940.5564 299.7358 240.7779 266.6901 759548.6242 24.0380 24.0638 PRESSURE: 1884800 20.3773 -98.6643 -245.724 -98.6631 -192.546 130.104 -245.724 130.102 -187.156 GPRESSURE: 1884800 18.8208 -93.7624 -202.2 -28.6629 -102.761 147.002 -263.04 3.10717 -207.406 PRESSAVG: 1884800 -3.08251 -20.8678 -10.1461 -20.8678 -27.9375 21.6554 -10.1461 21.6554 -10.2077 GPRESSAVG: 1884800 -4.78718 -19.9021 -10.8058 -21.2597 -26.8685 22.1854 -9.18407 19.9063 -9.58648 TIMING: 1884800 CPU: 6010.73, 0.00317853/step Wall: 6010.73, 0.00317853/step, 2.75049 hours remaining, 241.441406 MB of memory in use. ENERGY: 1884800 3993.6927 20747.4406 14539.4238 239.1916 -203352.0515 2343.1707 0.0000 0.0000 52184.1732 -109304.9588 299.9032 -161489.1320 -108949.6307 299.8917 -119.7750 -97.1156 760772.8062 -13.7426 -13.7474 PRESSURE: 1885000 -25.5922 -176.708 82.4571 -176.708 474.77 52.841 82.4575 52.8406 103.893 GPRESSURE: 1885000 35.1867 -190.38 66.1975 -100.716 459.191 50.272 77.1004 5.05551 136.278 PRESSAVG: 1885000 17.981 -41.2769 -33.2702 -41.2769 -20.8112 -23.7592 -33.2702 -23.7592 -1.93734 GPRESSAVG: 1885000 19.7227 -40.5718 -34.1833 -41.8066 -22.7327 -24.7583 -32.0571 -25.3889 -1.90141 TIMING: 1885000 CPU: 6011.37, 0.00319287/step Wall: 6011.37, 0.00319287/step, 2.76272 hours remaining, 241.441406 MB of memory in use. ENERGY: 1885000 3989.6703 20478.7240 14494.0065 234.4311 -204210.9040 3136.1005 0.0000 0.0000 52166.6340 -109711.3376 299.8024 -161877.9716 -109332.6351 299.5413 184.3569 210.2184 759542.7908 -1.5892 -1.6371 PRESSURE: 1885200 72.2709 114.217 20.7585 114.217 -86.6111 -90.3166 20.7597 -90.3168 -314.033 GPRESSURE: 1885200 128.969 -40.7926 35.4589 20.097 -74.4511 -79.7609 55.4144 -144.407 -285.992 PRESSAVG: 1885200 -9.99879 -20.1291 43.429 -20.129 30.4813 2.51602 43.4291 2.516 -4.24715 GPRESSAVG: 1885200 -11.4886 -21.5348 45.9798 -18.6501 31.8761 2.92624 43.1918 4.74418 -4.64239 TIMING: 1885200 CPU: 6012.01, 0.00320714/step Wall: 6012.01, 0.00320715/step, 2.77489 hours remaining, 241.441406 MB of memory in use. ENERGY: 1885200 4010.0877 20408.9199 14524.3187 224.8215 -203280.2769 2375.8560 0.0000 0.0000 52186.5053 -109549.7679 299.9166 -161736.2732 -109177.9623 299.5289 -109.4576 -77.1581 759452.4488 5.4118 5.2484 PRESSURE: 1885400 -78.9346 -26.6225 324.24 -26.6228 -196.673 69.4225 324.24 69.4208 91.9186 GPRESSURE: 1885400 14.6559 -52.6104 325.745 70.7736 -251.855 -35.7051 203.108 -22.0533 136.746 PRESSAVG: 1885400 69.6832 -11.6454 17.3466 -11.6453 -18.039 -7.28556 17.3466 -7.28555 -4.0227 GPRESSAVG: 1885400 69.3067 -9.96558 17.2154 -13.1588 -18.5887 -6.83115 17.0595 -8.5853 -3.35934 TIMING: 1885400 CPU: 6012.66, 0.00321646/step Wall: 6012.66, 0.00321646/step, 2.78278 hours remaining, 241.441406 MB of memory in use. ENERGY: 1885400 3951.7806 20786.0285 14527.5194 242.9109 -203704.7334 2769.3384 0.0000 0.0000 52050.4878 -109376.6677 299.1349 -161427.1556 -109014.4665 299.5751 -61.2295 -33.4844 762204.5663 15.8738 15.7862 PRESSURE: 1885600 271.634 -124.006 -13.6893 -124.006 -183.54 81.9158 -13.69 81.9161 334.946 GPRESSURE: 1885600 305.06 -124.367 40.6837 -164.723 -83.5252 174.901 -124.017 77.3246 306.766 PRESSAVG: 1885600 51.259 -34.7752 12.6358 -34.7752 -22.5648 -29.1031 12.6357 -29.1031 -21.3866 GPRESSAVG: 1885600 50.9475 -34.1021 9.96897 -34.1906 -22.2353 -29.7773 13.5009 -29.4993 -21.7282 TIMING: 1885600 CPU: 6013.3, 0.00319564/step Wall: 6013.3, 0.00319565/step, 2.76459 hours remaining, 241.441406 MB of memory in use. ENERGY: 1885600 3999.7694 20447.8135 14525.8661 236.9150 -203880.8101 2801.4769 0.0000 0.0000 52244.5776 -109624.3916 300.2503 -161868.9693 -109258.2594 298.9778 141.0132 176.1003 760446.3534 2.4359 2.3280 PRESSURE: 1885800 87.0387 14.6422 -174.718 14.6421 -240.732 92.1037 -174.717 92.1043 -234.272 GPRESSURE: 1885800 124.128 41.181 -165.458 -50.4596 -159.623 -39.7575 -144.042 127.191 -254.08 PRESSAVG: 1885800 48.822 2.48256 -64.3849 2.48256 -42.3545 44.6362 -64.3849 44.6362 1.23439 GPRESSAVG: 1885800 50.4702 -0.237897 -63.5838 2.21834 -43.0466 45.6223 -64.7505 46.738 0.716114 TIMING: 1885800 CPU: 6013.93, 0.00316863/step Wall: 6013.93, 0.00316863/step, 2.74104 hours remaining, 241.441406 MB of memory in use. ENERGY: 1885800 4038.0501 20488.1387 14451.2260 235.0918 -203829.0578 2941.7545 0.0000 0.0000 52021.8971 -109652.8996 298.9706 -161674.7967 -109285.7819 299.0954 -129.3216 -96.5250 761085.3642 2.5673 2.7132 PRESSURE: 1886000 430.303 177.143 -128.017 177.143 -141.576 81.9345 -128.017 81.9356 132.466 GPRESSURE: 1886000 414.882 74.6762 10.4142 182.261 -7.31271 170.86 -23.4085 -42.7987 96.6924 PRESSAVG: 1886000 -0.569334 -1.02942 19.785 -1.02942 -5.26596 19.0498 19.7849 19.0498 2.55898 GPRESSAVG: 1886000 -1.86539 1.00582 21.6099 -2.26522 -4.30786 20.0281 18.0927 16.0075 1.93751 TIMING: 1886000 CPU: 6014.57, 0.0031728/step Wall: 6014.57, 0.0031728/step, 2.74448 hours remaining, 241.441406 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: 1886000 3980.1635 20630.8939 14464.3476 239.9148 -203628.4210 2750.7196 0.0000 0.0000 51908.9938 -109653.3878 298.3217 -161562.3816 -109290.2421 299.3819 140.3978 168.0874 760337.8844 -1.0921 -1.4119 PRESSURE: 1886200 -178.062 111.182 -37.6819 111.182 -20.3715 139.975 -37.6826 139.977 -167.887 GPRESSURE: 1886200 -258.991 95.1305 -6.94731 145.662 97.2678 105.244 -135.034 144.178 -109.555 PRESSAVG: 1886200 -9.68985 33.2883 -4.3195 33.2883 20.5036 3.11112 -4.31955 3.11117 -3.567 GPRESSAVG: 1886200 -10.0287 32.0451 -4.2574 35.7214 20.7392 1.99047 -4.64015 3.71301 -3.11481 TIMING: 1886200 CPU: 6015.2, 0.00317447/step Wall: 6015.2, 0.00317447/step, 2.74574 hours remaining, 241.441406 MB of memory in use. ENERGY: 1886200 3979.3657 20601.7660 14486.0985 247.7631 -203433.2767 2495.9538 0.0000 0.0000 51979.3687 -109642.9610 298.7261 -161622.3297 -109274.2019 298.9411 -122.1068 -90.4261 760389.5403 2.4156 2.5319 PRESSURE: 1886400 -177.022 139.352 -54.0039 139.352 89.1285 38.9901 -54.0034 38.9901 -86.695 GPRESSURE: 1886400 -61.7136 106.206 -53.0748 156.47 76.0928 75.5071 -117.442 55.1047 -111.815 PRESSAVG: 1886400 1.31301 36.9048 -31.0719 36.9048 -2.00223 31.886 -31.0719 31.886 13.2137 GPRESSAVG: 1886400 2.31632 37.3891 -32.5994 36.0192 -2.28882 30.1677 -30.6725 31.8472 12.248 TIMING: 1886400 CPU: 6015.83, 0.00317213/step Wall: 6015.83, 0.00317213/step, 2.74354 hours remaining, 241.441406 MB of memory in use. ENERGY: 1886400 3987.3537 20539.1906 14473.8139 251.1772 -203970.2379 2922.1612 0.0000 0.0000 52000.0383 -109796.5031 298.8449 -161796.5413 -109427.8650 298.8344 -58.1961 -32.4787 759134.5026 4.1748 4.0918 PRESSURE: 1886600 -313.164 -14.3485 -138.726 -14.3477 295.854 -130.44 -138.727 -130.44 -158.224 GPRESSURE: 1886600 -214.738 38.4764 -140.99 -31.268 263.371 -126.513 -179.684 -96.3616 -128.17 PRESSAVG: 1886600 8.35904 40.8771 -52.9997 40.8771 -20.0044 18.4069 -52.9997 18.407 32.1725 GPRESSAVG: 1886600 8.71967 42.2055 -54.5532 41.1269 -20.5307 18.9372 -52.7354 20.3487 32.8175 TIMING: 1886600 CPU: 6016.46, 0.00315088/step Wall: 6016.46, 0.00315088/step, 2.72499 hours remaining, 241.441406 MB of memory in use. ENERGY: 1886600 4031.1395 20442.6888 14417.0271 243.0725 -203407.2092 2436.7575 0.0000 0.0000 52197.5989 -109638.9250 299.9803 -161836.5239 -109274.7301 299.3068 -58.5115 -26.5124 760007.6698 6.8424 7.0022 PRESSURE: 1886800 -45.207 46.9484 -188.008 46.9487 -160.764 256.516 -188.007 256.516 -401.688 GPRESSURE: 1886800 -112.129 83.2995 -103.343 31.7511 -111.111 284.461 -174.507 93.9941 -299.104 PRESSAVG: 1886800 -5.22142 26.6131 -33.7106 26.613 2.81066 36.5386 -33.7106 36.5386 -1.12504 GPRESSAVG: 1886800 -7.12226 24.5525 -31.2362 26.8941 3.74174 38.2712 -33.2729 35.64 0.107442 TIMING: 1886800 CPU: 6017.1, 0.00315242/step Wall: 6017.1, 0.00315242/step, 2.72614 hours remaining, 241.441406 MB of memory in use. ENERGY: 1886800 4037.1695 20468.2960 14449.3195 235.2886 -203142.5352 2223.3933 0.0000 0.0000 52269.4567 -109459.6115 300.3933 -161729.0683 -109091.4195 298.9777 -202.5527 -174.1146 760972.7115 -1.1786 -1.0910 PRESSURE: 1887000 -11.8806 -188.634 18.7771 -188.634 -318.088 -83.483 18.7774 -83.4818 561.3 GPRESSURE: 1887000 32.448 -95.0751 -65.997 -111.702 -177.906 -94.9308 27.9303 -5.6161 474.143 PRESSAVG: 1887000 8.0919 -6.90035 -1.60291 -6.90036 -13.6287 7.23413 -1.60282 7.23415 -4.34334 GPRESSAVG: 1887000 10.3967 -4.55727 -4.04144 -4.36162 -15.5561 5.69647 -0.829663 5.18647 -4.60161 TIMING: 1887000 CPU: 6017.73, 0.00316349/step Wall: 6017.73, 0.00316349/step, 2.73554 hours remaining, 241.441406 MB of memory in use. ENERGY: 1887000 3931.4936 20440.8321 14523.8225 241.5606 -203490.7738 2545.1479 0.0000 0.0000 52258.9643 -109548.9528 300.3330 -161807.9171 -109187.9107 299.7194 77.1106 109.5614 759589.1044 -3.2934 -3.2537 PRESSURE: 1887200 41.9523 -113.502 90.4198 -113.501 -226.408 302.177 90.4211 302.177 -36.9174 GPRESSURE: 1887200 22.8116 -130.91 35.2684 -110.883 -160.135 299.833 161.905 255.338 13.2997 PRESSAVG: 1887200 27.4233 -50.7247 2.45225 -50.7247 -43.9383 33.2991 2.45219 33.2991 -21.5634 GPRESSAVG: 1887200 27.8542 -51.0086 3.02878 -54.471 -43.491 33.5355 2.3927 35.0585 -22.4401 TIMING: 1887200 CPU: 6018.36, 0.0031657/step Wall: 6018.36, 0.0031657/step, 2.73728 hours remaining, 241.441406 MB of memory in use. ENERGY: 1887200 3959.0765 20437.5654 14498.2738 252.4730 -203245.6339 2476.9438 0.0000 0.0000 52225.2201 -109396.0813 300.1391 -161621.3014 -109038.0075 299.3873 -73.7909 -41.3411 759984.0366 -12.6928 -12.6923 PRESSURE: 1887400 -17.308 42.3144 7.65018 42.316 -49.1259 -63.2691 7.65025 -63.2688 105.853 GPRESSURE: 1887400 96.7358 72.3806 -16.7178 42.9753 -40.8427 -26.3055 147.142 -124.481 77.3488 PRESSAVG: 1887400 -26.1085 -10.3765 4.84983 -10.3764 8.42291 -12.853 4.8499 -12.8531 14.9346 GPRESSAVG: 1887400 -27.564 -13.2547 5.42573 -7.41639 9.24383 -13.3496 4.73737 -10.8691 15.7361 TIMING: 1887400 CPU: 6019, 0.00318356/step Wall: 6019, 0.00318356/step, 2.75254 hours remaining, 241.441406 MB of memory in use. ENERGY: 1887400 3910.9520 20511.5692 14512.3667 248.1739 -203423.4769 2581.1908 0.0000 0.0000 52165.0377 -109494.1866 299.7932 -161659.2243 -109124.2574 299.3491 13.1396 44.4140 759989.7018 -0.9170 -0.8613 PRESSURE: 1887600 -32.3772 -113.724 302.915 -113.723 294.982 -6.8343 302.915 -6.83447 -87.4246 GPRESSURE: 1887600 -7.41224 -7.40302 264.515 -169.525 323.902 56.0687 284.578 -133.615 -59.6088 PRESSAVG: 1887600 46.2202 -53.5654 -29.2342 -53.5653 -39.5209 37.6279 -29.2342 37.6279 -7.31568 GPRESSAVG: 1887600 46.377 -50.4669 -30.6808 -55.0929 -39.84 38.7045 -28.1989 36.803 -8.12932 TIMING: 1887600 CPU: 6019.63, 0.0031701/step Wall: 6019.63, 0.0031701/step, 2.74073 hours remaining, 241.441406 MB of memory in use. ENERGY: 1887600 3940.9143 20488.5157 14469.1063 263.2599 -203549.3292 2689.4959 0.0000 0.0000 52177.7151 -109520.3220 299.8660 -161698.0371 -109158.9348 299.5248 58.3933 85.6270 760308.6504 -0.2055 -0.5308 PRESSURE: 1887800 518.006 -83.968 39.5132 -83.9678 -70.7483 -124.802 39.5133 -124.802 257.686 GPRESSURE: 1887800 507.442 -59.3507 85.0615 -7.1864 26.9573 -140.508 -37.7509 -129.462 238.035 PRESSAVG: 1887800 12.369 -56.4126 17.8492 -56.4126 -32.0133 -26.8303 17.8492 -26.8303 7.26731 GPRESSAVG: 1887800 12.3754 -55.7605 18.6023 -56.472 -31.6795 -28.3089 15.6308 -27.7791 7.03984 TIMING: 1887800 CPU: 6020.27, 0.00317564/step Wall: 6020.27, 0.00317564/step, 2.74534 hours remaining, 241.441406 MB of memory in use. ENERGY: 1887800 4004.1503 20482.5828 14491.7562 265.3069 -203625.4540 2789.7304 0.0000 0.0000 52010.4441 -109581.4832 298.9047 -161591.9274 -109219.4902 299.2840 234.9813 257.4781 760382.8939 -4.1256 -4.0881 PRESSURE: 1888000 129.674 -0.288081 -202.103 -0.289061 177.444 97.2953 -202.103 97.2951 -202.177 GPRESSURE: 1888000 284.063 -24.7743 -207.582 -26.9506 124.273 49.4345 -159.416 33.7699 -215.999 PRESSAVG: 1888000 72.3689 -0.827983 -74.1342 -0.827977 -39.9827 -70.2442 -74.1341 -70.2442 5.89679 GPRESSAVG: 1888000 72.759 -2.64504 -73.9211 -0.911267 -41.3424 -70.7131 -74.1644 -69.2886 7.64733 TIMING: 1888000 CPU: 6020.9, 0.00318962/step Wall: 6020.9, 0.00318962/step, 2.75725 hours remaining, 241.441406 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: 1888000 3967.7867 20471.0391 14469.5292 222.1314 -203968.3598 2920.9338 0.0000 0.0000 52129.7292 -109787.2105 299.5903 -161916.9396 -109422.0220 298.8617 34.9803 64.1121 761153.1104 12.7610 13.0213 PRESSURE: 1888200 -114.237 -50.0107 -135.813 -50.0107 -184.007 -178.445 -135.813 -178.444 -122.318 GPRESSURE: 1888200 -90.5598 45.9991 -162.771 -101.682 -104.059 -157.584 -186.384 -176.441 -171.246 PRESSAVG: 1888200 43.3395 -39.3841 -8.6599 -39.3841 -10.9753 1.46064 -8.65991 1.46066 0.7972 GPRESSAVG: 1888200 42.0728 -39.3842 -7.90272 -40.2985 -9.63305 3.1066 -8.04148 3.38346 0.248976 TIMING: 1888200 CPU: 6021.54, 0.00317211/step Wall: 6021.54, 0.00317211/step, 2.74194 hours remaining, 241.441406 MB of memory in use. ENERGY: 1888200 4012.1965 20548.9810 14534.3504 245.0787 -203584.2514 2439.8057 0.0000 0.0000 52182.2595 -109621.5796 299.8922 -161803.8391 -109245.5633 298.9503 -140.1873 -121.9550 761757.7555 11.0538 10.8962 LDB: ============= START OF LOAD BALANCING ============== 6033.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6033.99 LDB: =============== DONE WITH MIGRATION ================ 6034 LDB: ============= START OF LOAD BALANCING ============== 6034.31 LDB: Largest compute 7034 load 0.036655 is 18.8% of average load 0.195152 LDB: Average compute 0.004411 is 2.3% of average load 0.195152 LDB: TIME 6034.32 LOAD: AVG 0.195152 MAX 0.214941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.699 MB LDB: TIME 6034.32 LOAD: AVG 0.195152 MAX 0.214941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.703 MB LDB: TIME 6034.32 LOAD: AVG 0.195152 MAX 0.214941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.703 MB LDB: ============== END OF LOAD BALANCING =============== 6034.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6034.33 PRESSURE: 1888400 -131.63 -46.7511 110.211 -46.7508 234.076 237.822 110.211 237.823 19.271 GPRESSURE: 1888400 -52.7896 -5.40639 93.1658 70.2033 242.884 235.758 118.054 167.579 -3.01571 PRESSAVG: 1888400 69.4122 -34.385 -17.575 -34.385 -62.728 8.64476 -17.575 8.64473 11.0681 GPRESSAVG: 1888400 71.1889 -34.5421 -17.2331 -33.5746 -63.8289 8.04486 -17.0876 5.28699 10.6515 TIMING: 1888400 CPU: 6022.19, 0.00325337/step Wall: 6022.19, 0.00325337/step, 2.81199 hours remaining, 240.550781 MB of memory in use. ENERGY: 1888400 4005.8132 20345.7315 14473.2229 231.7832 -203176.2997 2449.3641 0.0000 0.0000 52224.5016 -109445.8833 300.1349 -161670.3849 -109082.9624 299.2371 40.5721 62.3595 760788.6598 5.9174 6.0038 PRESSURE: 1888600 64.1145 24.2 -185.35 24.2003 -150.603 37.601 -185.35 37.6019 -96.2876 GPRESSURE: 1888600 121.478 -36.6159 -134.328 -60.5616 -136.361 28.4093 -95.6191 74.0945 -70.0904 PRESSAVG: 1888600 7.80795 6.59427 -57.8227 6.59424 -30.8234 53.2455 -57.8227 53.2456 -5.17474 GPRESSAVG: 1888600 6.57793 7.84277 -55.9992 7.64654 -29.6829 54.5529 -59.5432 55.3709 -4.95038 TIMING: 1888600 CPU: 6022.83, 0.00320022/step Wall: 6022.83, 0.00320023/step, 2.76588 hours remaining, 240.753906 MB of memory in use. ENERGY: 1888600 3955.4973 20640.8025 14510.7304 256.0181 -203129.1198 2478.4099 0.0000 0.0000 52014.5633 -109273.0982 298.9284 -161287.6615 -108908.4935 299.5875 -60.9253 -28.3242 762621.7274 -9.3967 -9.3518 PRESSURE: 1888800 -220.181 -117.372 355.385 -117.372 -630.416 -166.238 355.385 -166.238 -274.56 GPRESSURE: 1888800 -241.344 -134.118 285.213 -96.9698 -517.477 -181.564 363.202 -215.124 -264.113 PRESSAVG: 1888800 -49.147 -54.4232 64.9217 -54.4233 32.1806 13.3545 64.9217 13.3545 -6.78299 GPRESSAVG: 1888800 -49.089 -58.0305 63.3696 -54.1496 31.8664 12.706 67.1258 12.7859 -6.71275 TIMING: 1888800 CPU: 6023.47, 0.00319753/step Wall: 6023.47, 0.00319753/step, 2.76338 hours remaining, 240.753906 MB of memory in use. ENERGY: 1888800 4042.3049 20613.8277 14532.0740 241.8602 -203236.1554 2382.8793 0.0000 0.0000 52312.1966 -109111.0128 300.6389 -161423.2094 -108751.3582 299.9144 -375.0523 -340.9780 761951.0847 -7.9165 -7.9785 PRESSURE: 1889000 46.7052 74.4968 -112.127 74.4971 280.417 206.623 -112.126 206.623 269.246 GPRESSURE: 1889000 202.403 -49.569 -83.5727 10.5587 251.639 213.579 -149.851 191.702 254.738 PRESSAVG: 1889000 24.8068 -41.7259 0.680566 -41.7259 -1.27183 29.3328 0.680616 29.3328 19.2026 GPRESSAVG: 1889000 25.0204 -39.7802 2.22617 -44.2458 -1.87009 28.3713 0.351043 30.4943 19.6692 TIMING: 1889000 CPU: 6024.11, 0.0031842/step Wall: 6024.11, 0.0031842/step, 2.75168 hours remaining, 240.753906 MB of memory in use. ENERGY: 1889000 4051.9550 20589.1577 14481.6747 267.8441 -203407.8353 2476.3653 0.0000 0.0000 52378.2382 -109162.6003 301.0185 -161540.8386 -108805.6258 299.8168 198.7894 236.2602 759409.1590 14.2459 14.2731 PRESSURE: 1889200 73.6532 -155.005 293.325 -155.005 242.503 126.831 293.325 126.831 -13.6677 GPRESSURE: 1889200 70.2993 -144.041 304.566 -50.7865 293.767 145.785 316.452 122.56 6.56547 PRESSAVG: 1889200 -49.8741 -22.2184 -8.80313 -22.2185 52.9876 17.165 -8.80315 17.165 16.7809 GPRESSAVG: 1889200 -49.8703 -23.3734 -11.271 -20.4517 52.5809 16.6421 -8.60023 17.942 16.8637 TIMING: 1889200 CPU: 6024.74, 0.00318484/step Wall: 6024.74, 0.00318484/step, 2.75206 hours remaining, 240.753906 MB of memory in use. ENERGY: 1889200 3960.5989 20667.4475 14418.2513 228.6787 -203455.4892 2641.7378 0.0000 0.0000 52212.9390 -109325.8361 300.0685 -161538.7751 -108967.0897 300.2414 100.8294 123.5438 759927.3839 6.6314 6.5248 PRESSURE: 1889400 114.734 119.319 206.031 119.319 -10.7944 -0.762533 206.031 -0.761874 465.476 GPRESSURE: 1889400 171.941 -14.0842 199.424 174.813 -31.4617 9.02523 137.637 -60.1861 503.707 PRESSAVG: 1889400 -5.13358 -25.6484 37.8609 -25.6484 -12.413 4.04465 37.8609 4.04464 4.16826 GPRESSAVG: 1889400 -5.19157 -22.6295 39.5398 -25.5455 -12.3704 4.84745 36.9196 0.427007 4.24711 TIMING: 1889400 CPU: 6025.38, 0.00318931/step Wall: 6025.38, 0.00318931/step, 2.75574 hours remaining, 240.753906 MB of memory in use. ENERGY: 1889400 4073.1501 20596.6931 14465.6679 253.0614 -203392.3658 2512.0064 0.0000 0.0000 52104.7270 -109387.0599 299.4466 -161491.7870 -109012.3308 300.0751 189.8052 214.7287 759496.9579 -4.4594 -4.4383 PRESSURE: 1889600 -301.427 -169.163 -11.6194 -169.164 -364.697 56.523 -11.6194 56.5233 -133.694 GPRESSURE: 1889600 -158.462 -161.491 -108.73 -127.13 -416.739 94.4344 55.277 65.5796 -123.194 PRESSAVG: 1889600 -76.2349 -52.4756 24.9511 -52.4756 -7.79577 -1.98464 24.951 -1.98477 -16.996 GPRESSAVG: 1889600 -76.6498 -58.4947 23.8354 -51.8938 -7.41188 -0.84297 26.0991 -0.62679 -17.0821 TIMING: 1889600 CPU: 6026.02, 0.00319231/step Wall: 6026.02, 0.00319231/step, 2.75816 hours remaining, 240.753906 MB of memory in use. ENERGY: 1889600 4041.5384 20750.6275 14545.0508 253.4109 -203206.9079 2289.8977 0.0000 0.0000 51811.6174 -109514.7651 297.7621 -161326.3825 -109148.5690 300.2520 -266.6060 -232.7982 760461.2125 -33.6756 -33.7146 PRESSURE: 1889800 43.4306 15.7949 -69.4564 15.7942 -156.636 34.6655 -69.4569 34.6656 -210.851 GPRESSURE: 1889800 51.3567 83.754 -3.89738 -39.9527 -87.836 91.0894 -138.708 26.6271 -212.24 PRESSAVG: 1889800 18.1679 3.74266 -50.4412 3.74259 -9.7288 -5.62446 -50.4411 -5.62437 -10.5968 GPRESSAVG: 1889800 19.0626 9.80641 -49.9054 0.129134 -8.41125 -4.45809 -52.8087 -7.96231 -12.679 TIMING: 1889800 CPU: 6026.66, 0.00319356/step Wall: 6026.66, 0.00319356/step, 2.75906 hours remaining, 240.753906 MB of memory in use. ENERGY: 1889800 4021.2755 20624.7702 14439.2088 257.2223 -202843.7602 2023.8138 0.0000 0.0000 52077.0058 -109400.4638 299.2873 -161477.4696 -109035.0009 299.4149 -108.0187 -82.9065 761309.6722 -0.7192 -0.6759 PRESSURE: 1890000 -240.533 146.105 -99.5184 146.106 10.1238 189.614 -99.5183 189.615 -444.325 GPRESSURE: 1890000 -216.62 -72.8645 -117.706 134.998 24.573 209.326 -104.966 224.116 -392.361 PRESSAVG: 1890000 -23.6177 -25.6678 -10.4456 -25.6679 -10.5838 37.2642 -10.4456 37.2641 13.8825 GPRESSAVG: 1890000 -25.1323 -27.8258 -11.5969 -24.4935 -12.1557 35.4762 -9.01798 38.9911 17.0915 TIMING: 1890000 CPU: 6027.29, 0.00318119/step Wall: 6027.29, 0.00318119/step, 2.74819 hours remaining, 240.753906 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: 1890000 3996.5242 20616.4391 14522.9893 251.3746 -202940.6830 2051.8591 0.0000 0.0000 52295.8152 -109205.6815 300.5448 -161501.4968 -108845.2864 299.9441 -224.9116 -194.8027 760303.6304 -6.7730 -6.7322 PRESSURE: 1890200 -193.864 -200.904 -13.8055 -200.905 290.919 9.36903 -13.8069 9.36843 -121.469 GPRESSURE: 1890200 -139.006 -169.981 -7.32653 -297.075 282.826 -41.71 43.0415 89.4696 -64.1665 PRESSAVG: 1890200 -54.0028 -46.2169 13.0777 -46.2169 28.9247 3.91539 13.0777 3.91532 4.75713 GPRESSAVG: 1890200 -52.4517 -46.0643 11.7824 -46.818 29.4909 4.18112 16.3177 6.13077 3.09844 TIMING: 1890200 CPU: 6027.93, 0.00317399/step Wall: 6027.93, 0.00317399/step, 2.7418 hours remaining, 240.753906 MB of memory in use. ENERGY: 1890200 4020.6713 20686.9208 14460.4959 273.3659 -203379.0123 2426.8530 0.0000 0.0000 52191.5119 -109319.1935 299.9453 -161510.7054 -108970.3747 299.7892 -8.1380 26.5510 760790.3236 -6.7736 -6.6208 PRESSURE: 1890400 88.9023 -38.2299 154.708 -38.2295 348.345 -227.536 154.708 -227.536 167.082 GPRESSURE: 1890400 116.773 29.3775 131.959 114.105 341.715 -214.493 86.2244 -135.63 236.285 PRESSAVG: 1890400 -63.5563 -54.848 -24.4084 -54.8481 -6.0637 -29.3551 -24.4084 -29.3552 3.57248 GPRESSAVG: 1890400 -64.1769 -54.4623 -22.2642 -53.6996 -6.31693 -30.1903 -28.4375 -31.3221 4.16058 TIMING: 1890400 CPU: 6028.57, 0.00318627/step Wall: 6028.57, 0.00318627/step, 2.75223 hours remaining, 240.753906 MB of memory in use. ENERGY: 1890400 3895.7308 20575.5964 14473.4181 260.2388 -203920.0734 3175.8119 0.0000 0.0000 52215.9458 -109323.3316 300.0858 -161539.2774 -108952.4366 299.7689 201.4430 231.5911 761319.6534 -22.0158 -22.1111 PRESSURE: 1890600 49.1577 30.1967 -249.593 30.1963 -20.0949 180.206 -249.594 180.206 199.337 GPRESSURE: 1890600 42.8302 123.862 -255.413 80.7443 51.9877 122.847 -225.244 34.0267 198.408 PRESSAVG: 1890600 -19.4594 -17.4462 -24.8279 -17.4462 12.6496 52.2408 -24.8279 52.2407 -16.6769 GPRESSAVG: 1890600 -19.7088 -15.8096 -23.6829 -17.6453 14.546 52.7049 -22.0993 52.3148 -17.3727 TIMING: 1890600 CPU: 6029.2, 0.0031677/step Wall: 6029.2, 0.0031677/step, 2.73601 hours remaining, 240.753906 MB of memory in use. ENERGY: 1890600 4029.3959 20579.8320 14497.5252 236.4291 -203284.5080 2511.7392 0.0000 0.0000 52156.3601 -109273.2265 299.7433 -161429.5866 -108908.6891 299.8556 76.1332 97.7421 761827.8042 -7.8289 -7.5118 PRESSURE: 1890800 101.621 -78.1628 -60.0493 -78.1633 158.958 50.7197 -60.0492 50.72 82.3411 GPRESSURE: 1890800 110.555 -32.4853 -113.224 -12.0896 229.693 117.938 -165.666 -49.6052 86.359 PRESSAVG: 1890800 -42.8165 -34.4375 8.36872 -34.4376 54.1642 -12.4122 8.36879 -12.4122 -14.6886 GPRESSAVG: 1890800 -43.0252 -32.7567 7.65282 -34.5514 53.3183 -13.2217 7.92499 -12.4499 -13.7786 TIMING: 1890800 CPU: 6029.84, 0.00321475/step Wall: 6029.84, 0.00321475/step, 2.77647 hours remaining, 240.753906 MB of memory in use. ENERGY: 1890800 3983.7869 20556.7447 14472.7792 239.3974 -203371.6843 2747.5994 0.0000 0.0000 52149.0704 -109222.3063 299.7014 -161371.3767 -108864.0491 299.9414 114.3068 142.2025 761567.8395 -1.1136 -1.1618 PRESSURE: 1891000 -652.009 196.548 -110.312 196.548 58.869 185.791 -110.312 185.792 -240.582 GPRESSURE: 1891000 -501.945 112.938 -101.734 119.946 97.7433 165.251 -182.947 196.202 -327.751 PRESSAVG: 1891000 35.1871 -3.76868 46.0855 -3.76875 7.42689 -0.085109 46.0855 -0.0850316 30.1742 GPRESSAVG: 1891000 36.0816 -7.09408 47.2097 -3.99042 8.1331 -0.51409 46.0543 1.0107 29.0183 TIMING: 1891000 CPU: 6030.48, 0.00319957/step Wall: 6030.48, 0.00319957/step, 2.76319 hours remaining, 240.753906 MB of memory in use. ENERGY: 1891000 4031.0928 20596.2990 14461.2774 272.8684 -203089.7429 2365.8262 0.0000 0.0000 52274.2920 -109088.0870 300.4211 -161362.3790 -108722.3319 300.0638 -277.9071 -243.9842 760651.9032 24.2627 24.4110 PRESSURE: 1891200 -92.1066 104.141 -10.1374 104.141 -273.162 74.3881 -10.1371 74.3877 -114.421 GPRESSURE: 1891200 -77.4753 107.108 -35.877 194.604 -228.369 43.3305 -94.297 151.437 -82.0243 PRESSAVG: 1891200 -35.5106 -7.88045 35.2194 -7.88043 40.404 -1.37053 35.2193 -1.37056 7.39446 GPRESSAVG: 1891200 -34.6171 -5.19279 33.1659 -7.44794 38.5946 -0.969858 35.2264 -0.792645 8.23209 TIMING: 1891200 CPU: 6031.12, 0.00318611/step Wall: 6031.12, 0.00318611/step, 2.75138 hours remaining, 240.753906 MB of memory in use. ENERGY: 1891200 3935.4423 20719.4782 14474.9348 252.3464 -203005.7368 2387.7697 0.0000 0.0000 52223.4606 -109012.3048 300.1289 -161235.7654 -108639.3847 299.8888 -159.8966 -129.2895 761785.1382 4.0960 4.0699 PRESSURE: 1891400 22.9861 -95.4663 98.2785 -95.4657 -125.938 -169.613 98.2777 -169.614 -100.51 GPRESSURE: 1891400 106.05 14.8913 39.7944 -130.627 -101.052 -169.535 76.4022 -95.5642 -131.038 PRESSAVG: 1891400 1.60316 -50.4415 24.7243 -50.4415 -32.0622 29.0937 24.7242 29.0937 2.06303 GPRESSAVG: 1891400 0.436871 -49.2641 24.5887 -52.5729 -30.6453 29.5919 25.9523 25.3045 1.85262 TIMING: 1891400 CPU: 6031.76, 0.00319981/step Wall: 6031.76, 0.00319981/step, 2.76304 hours remaining, 240.753906 MB of memory in use. ENERGY: 1891400 4049.1404 20543.7074 14415.3385 259.5989 -203402.2145 2635.0214 0.0000 0.0000 52338.2661 -109161.1419 300.7887 -161499.4080 -108791.1208 300.1796 -67.8207 -42.0137 760753.5355 -9.4653 -9.4519 PRESSURE: 1891600 306.435 -24.6152 49.4826 -24.6139 -44.4946 -329.951 49.4827 -329.95 85.4086 GPRESSURE: 1891600 431.233 -46.9218 -18.9259 -98.386 -97.4521 -463.153 145.717 -188.168 83.2489 PRESSAVG: 1891600 100.566 -23.5057 -73.0193 -23.5057 -90.4594 -2.99079 -73.0193 -2.99084 20.0424 GPRESSAVG: 1891600 100.969 -26.2108 -72.6 -24.4914 -90.9334 -2.47276 -72.6534 -1.36578 20.3023 TIMING: 1891600 CPU: 6032.4, 0.00317832/step Wall: 6032.4, 0.00317832/step, 2.7443 hours remaining, 240.753906 MB of memory in use. ENERGY: 1891600 3980.4551 20535.3281 14464.0421 257.3626 -203312.6512 2441.0340 0.0000 0.0000 52253.0888 -109381.3405 300.2992 -161634.4292 -109021.6942 299.6260 115.7830 139.0100 758772.1362 10.0495 10.1126 PRESSURE: 1891800 -203.268 72.1862 96.2763 72.1864 -155.185 176.722 96.2766 176.722 -248.402 GPRESSURE: 1891800 -121.632 -50.4945 121.012 142.728 -114.392 261.592 36.2422 247.653 -264.252 PRESSAVG: 1891800 -3.19379 -52.1209 -6.99886 -52.1209 -33.4588 -37.891 -6.99881 -37.891 5.53455 GPRESSAVG: 1891800 -3.25577 -53.0821 -7.85843 -48.3588 -33.5787 -36.8704 -7.80286 -38.5345 5.66594 TIMING: 1891800 CPU: 6033.04, 0.00320135/step Wall: 6033.04, 0.00320135/step, 2.76401 hours remaining, 240.753906 MB of memory in use. ENERGY: 1891800 3993.7099 20509.0271 14446.7596 253.6495 -203093.9190 2382.0283 0.0000 0.0000 52099.1688 -109409.5758 299.4146 -161508.7446 -109046.3815 299.5441 -202.2849 -166.7590 762186.9407 -10.3727 -10.3895 PRESSURE: 1892000 -267.229 -152.648 -251.461 -152.648 -429.828 -106.007 -251.461 -106.008 -259.521 GPRESSURE: 1892000 -279.081 -185.308 -249.726 -162.206 -339.934 -109.792 -241.065 -57.3745 -267.01 PRESSAVG: 1892000 -5.87828 -45.7644 -27.0206 -45.7643 -9.42479 49.1268 -27.0205 49.1268 -17.0007 GPRESSAVG: 1892000 -6.27687 -43.4953 -26.9665 -47.2897 -9.34823 47.1441 -27.706 51.6715 -17.4233 TIMING: 1892000 CPU: 6033.67, 0.00315471/step Wall: 6033.67, 0.00315471/step, 2.72357 hours remaining, 240.753906 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: 1892000 3992.6872 20526.0863 14474.7708 222.2381 -203122.1341 2308.7471 0.0000 0.0000 52133.9990 -109463.6056 299.6148 -161597.6047 -109091.3341 299.2289 -318.8594 -295.3414 761769.5259 -10.7679 -11.0161 PRESSURE: 1892200 33.3258 82.9056 -199.283 82.9061 -41.1617 269.736 -199.283 269.736 121.917 GPRESSURE: 1892200 -4.03068 150.41 -190.236 93.6495 54.3853 218.465 -226.303 189.679 167.243 PRESSAVG: 1892200 -40.1741 -51.3421 -31.4402 -51.3421 23.27 12.5371 -31.4401 12.537 1.81758 GPRESSAVG: 1892200 -40.9488 -50.6928 -30.4644 -52.6812 24.6943 12.0743 -32.0879 13.2406 1.38203 TIMING: 1892200 CPU: 6034.3, 0.00315923/step Wall: 6034.3, 0.00315923/step, 2.7273 hours remaining, 240.753906 MB of memory in use. ENERGY: 1892200 4035.7710 20658.7702 14406.4383 247.3291 -203091.5320 2295.1376 0.0000 0.0000 52053.4752 -109394.6107 299.1520 -161448.0858 -109029.5895 299.5291 38.0269 72.5325 760488.7199 -5.0288 -4.9575 LDB: ============= START OF LOAD BALANCING ============== 6046.75 LDB: ============== END OF LOAD BALANCING =============== 6046.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6046.75 LDB: ============= START OF LOAD BALANCING ============== 6047.07 LDB: Largest compute 7034 load 0.035931 is 18.4% of average load 0.194991 LDB: Average compute 0.004422 is 2.3% of average load 0.194991 LDB: TIME 6047.07 LOAD: AVG 0.194991 MAX 0.213865 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6047.07 LOAD: AVG 0.194991 MAX 0.213865 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 6047.08 LOAD: AVG 0.194991 MAX 0.213865 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 6047.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6047.08 PRESSURE: 1892400 45.376 118.653 351.972 118.652 -375.306 -11.4111 351.972 -11.4107 -201.419 GPRESSURE: 1892400 8.1435 151.454 419.806 144.867 -308.541 46.1964 201.92 -72.0326 -151.485 PRESSAVG: 1892400 46.901 -40.8932 3.21966 -40.8932 -74.9451 38.5331 3.2197 38.533 4.05087 GPRESSAVG: 1892400 47.5716 -43.871 2.82575 -39.7723 -76.4775 40.2369 3.06219 36.748 4.72294 TIMING: 1892400 CPU: 6034.95, 0.00323602/step Wall: 6034.95, 0.00323602/step, 2.7934 hours remaining, 239.527344 MB of memory in use. ENERGY: 1892400 4074.3056 20610.1110 14430.8288 247.9332 -203532.0711 2620.8901 0.0000 0.0000 51960.7805 -109587.2219 298.6193 -161548.0024 -109228.5169 299.0356 -177.1163 -150.6276 761978.5300 -7.9978 -8.0610 PRESSURE: 1892600 -205.032 -22.8301 -24.3474 -22.8303 -126.101 -224.63 -24.3475 -224.629 -166.535 GPRESSURE: 1892600 -200.021 -29.1399 -46.5256 -18.8233 -17.2026 -276.795 41.3547 -160.404 -197.403 PRESSAVG: 1892600 -17.9666 18.0592 41.493 18.0593 27.796 25.552 41.4929 25.5519 15.8562 GPRESSAVG: 1892600 -18.7254 20.7645 42.0908 16.8669 28.7643 26.1026 41.5894 23.6002 15.7531 TIMING: 1892600 CPU: 6035.58, 0.00316965/step Wall: 6035.58, 0.00316965/step, 2.73593 hours remaining, 239.527344 MB of memory in use. ENERGY: 1892600 4067.4580 20604.0959 14426.9038 243.4759 -203841.2841 2874.7636 0.0000 0.0000 52102.3110 -109522.2759 299.4327 -161624.5869 -109161.3362 299.2819 -165.8896 -138.2091 759977.0402 8.5618 8.5973 PRESSURE: 1892800 -139.891 119.593 -37.6464 119.592 -401.974 -1.26462 -37.6465 -1.26509 -600.03 GPRESSURE: 1892800 -94.5086 -10.9584 -42.7378 119.982 -346.105 1.05376 -69.4197 89.6271 -583.725 PRESSAVG: 1892800 -39.8996 -37.4206 22.7364 -37.4206 25.6179 23.9358 22.7364 23.9358 3.60029 GPRESSAVG: 1892800 -39.2961 -38.2321 22.7019 -36.0468 24.8165 22.2821 23.4035 25.4305 3.95862 TIMING: 1892800 CPU: 6036.21, 0.00315822/step Wall: 6036.21, 0.00315822/step, 2.7259 hours remaining, 239.527344 MB of memory in use. ENERGY: 1892800 3964.0765 20558.9907 14361.7653 224.3974 -203128.1032 2375.9266 0.0000 0.0000 51979.3659 -109663.5807 298.7261 -161642.9466 -109297.6004 299.4704 -380.6319 -341.4462 761592.7332 -3.5605 -3.5070 PRESSURE: 1893000 -308.141 -19.9079 21.7729 -19.909 -26.3394 188.458 21.7738 188.458 -275.916 GPRESSURE: 1893000 -290.847 -110.165 37.756 -51.5197 22.3339 170.196 -43.7651 78.3677 -242.26 PRESSAVG: 1893000 41.5119 -59.6146 -1.55799 -59.6146 5.02351 4.30245 -1.55796 4.30248 -10.5568 GPRESSAVG: 1893000 40.7728 -60.2988 -1.13588 -59.5546 5.17664 4.87974 -2.17552 4.89571 -9.50367 TIMING: 1893000 CPU: 6036.84, 0.00316183/step Wall: 6036.84, 0.00316183/step, 2.72883 hours remaining, 239.527344 MB of memory in use. ENERGY: 1893000 3949.8151 20647.9479 14420.2557 224.6497 -203503.1364 2490.4889 0.0000 0.0000 52140.7596 -109629.2195 299.6537 -161769.9790 -109274.2393 298.7402 -203.4656 -170.2578 760622.0485 11.9929 12.1486 PRESSURE: 1893200 -23.0155 63.3441 -41.2456 63.3436 349.24 7.34512 -41.2456 7.34467 177.812 GPRESSURE: 1893200 -68.7688 147.506 -70.1905 63.4674 424.031 -34.828 49.2053 61.9412 209.011 PRESSAVG: 1893200 47.967 -35.0218 8.39384 -35.0218 -23.9696 28.8647 8.39384 28.8647 -17.2496 GPRESSAVG: 1893200 49.2892 -33.2901 8.86223 -36.7822 -24.9578 28.2975 7.74592 29.6465 -18.2855 TIMING: 1893200 CPU: 6037.48, 0.003174/step Wall: 6037.48, 0.003174/step, 2.73916 hours remaining, 239.527344 MB of memory in use. ENERGY: 1893200 3971.7364 20424.6844 14506.4233 237.8106 -203751.2876 2981.8772 0.0000 0.0000 51999.0793 -109629.6764 298.8394 -161628.7557 -109271.7202 299.0069 168.0122 188.0910 759690.7222 2.2493 2.0153 PRESSURE: 1893400 64.8985 -414.104 -96.271 -414.103 -144.794 14.7806 -96.27 14.7805 300.02 GPRESSURE: 1893400 48.9998 -324.495 -69.0459 -316.742 -63.1222 79.7195 -131.013 129.596 300.657 PRESSAVG: 1893400 -9.71773 5.08303 0.970282 5.08305 8.72125 -58.47 0.970286 -58.4699 3.31131 GPRESSAVG: 1893400 -11.0736 4.06337 -0.0727448 7.74304 10.33 -57.8348 2.82825 -57.0708 3.55119 TIMING: 1893400 CPU: 6038.11, 0.0031645/step Wall: 6038.11, 0.0031645/step, 2.73079 hours remaining, 239.527344 MB of memory in use. ENERGY: 1893400 3984.8899 20532.7693 14503.2177 266.2886 -203956.0742 2712.2766 0.0000 0.0000 52356.4096 -109600.2224 300.8930 -161956.6320 -109229.7643 299.2393 73.3750 95.5116 759679.1362 0.7716 0.9359 PRESSURE: 1893600 23.4771 151.967 -268.525 151.967 45.4895 128.368 -268.524 128.367 167.013 GPRESSURE: 1893600 69.9663 44.0315 -296.429 132.468 54.4934 85.7397 -247.592 165.208 211.323 PRESSAVG: 1893600 54.2305 -41.2821 24.4881 -41.2821 -50.6343 -24.5527 24.488 -24.5527 7.8626 GPRESSAVG: 1893600 54.8316 -39.924 24.6643 -43.2595 -50.0086 -24.8091 22.7721 -29.2996 7.37376 TIMING: 1893600 CPU: 6038.75, 0.00319755/step Wall: 6038.75, 0.00319755/step, 2.75913 hours remaining, 239.527344 MB of memory in use. ENERGY: 1893600 4014.6045 20595.0326 14408.5701 240.5005 -203309.9752 2522.4192 0.0000 0.0000 52136.4843 -109392.3641 299.6291 -161528.8483 -109030.6546 299.1654 78.6598 111.9275 760140.7012 3.8196 4.0656 PRESSURE: 1893800 -65.1371 114.064 -196.696 114.064 -414.836 -35.2543 -196.696 -35.2539 -36.8241 GPRESSURE: 1893800 -44.0208 107.988 -196.07 162.067 -352.081 0.492163 -169.503 -147.717 -42.1632 PRESSAVG: 1893800 -16.4776 18.4237 -5.49088 18.4236 4.87784 34.6611 -5.4909 34.6611 -7.98653 GPRESSAVG: 1893800 -15.5962 18.1585 -5.50622 20.0251 4.03534 34.6622 -5.09102 38.0233 -7.50714 TIMING: 1893800 CPU: 6039.39, 0.00317617/step Wall: 6039.39, 0.00317617/step, 2.74051 hours remaining, 239.527344 MB of memory in use. ENERGY: 1893800 4031.1025 20550.9060 14419.5468 260.8943 -203400.1900 2434.6466 0.0000 0.0000 52147.5027 -109555.5912 299.6924 -161703.0939 -109183.8692 299.5258 -172.2657 -146.0883 761088.9792 -6.5288 -6.3560 PRESSURE: 1894000 -61.9228 -69.7184 71.5313 -69.7185 -194.945 -60.7302 71.5309 -60.7309 -94.3355 GPRESSURE: 1894000 -44.4077 69.5436 18.8314 16.7525 -261.042 -107.782 178.624 92.6897 18.9492 PRESSAVG: 1894000 -7.73792 8.04218 -6.35214 8.04218 22.092 20.8636 -6.35212 20.8635 -13.1306 GPRESSAVG: 1894000 -7.42929 8.22115 -6.67184 6.42628 21.7489 19.5846 -5.83504 20.4864 -12.8945 TIMING: 1894000 CPU: 6040.02, 0.00318989/step Wall: 6040.02, 0.00318989/step, 2.75217 hours remaining, 239.527344 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: 1894000 3990.2690 20677.3264 14490.3939 233.7030 -202946.0319 2296.0484 0.0000 0.0000 51941.1180 -109317.1732 298.5063 -161258.2911 -108956.3915 299.6568 -117.0678 -95.5003 760455.7809 0.4078 0.4750 PRESSURE: 1894200 -187.427 180.686 78.0388 180.685 -61.1071 37.8849 78.039 37.8841 -190.223 GPRESSURE: 1894200 -155.571 120.167 88.6048 57.8372 -43.2052 84.8859 110.043 176.952 -149.572 PRESSAVG: 1894200 -4.81554 -4.84773 49.8045 -4.84771 -2.91098 32.3524 49.8045 32.3524 -0.050542 GPRESSAVG: 1894200 -4.44679 -6.20217 50.4124 -5.61554 -3.03325 34.5638 49.9282 31.8309 -0.206254 TIMING: 1894200 CPU: 6040.66, 0.00319591/step Wall: 6040.66, 0.00319591/step, 2.75718 hours remaining, 239.527344 MB of memory in use. ENERGY: 1894200 4046.1475 20541.4257 14525.9961 246.8640 -202990.5016 2330.0366 0.0000 0.0000 51956.7669 -109343.2649 298.5963 -161300.0317 -108981.5153 299.9210 -146.2523 -116.1162 759536.4770 -2.5924 -2.5621 PRESSURE: 1894400 19.3729 -90.2527 8.39265 -90.2525 -214.144 -44.5271 8.39287 -44.5283 55.4944 GPRESSURE: 1894400 24.9377 -83.521 -33.1099 -72.0616 -176.902 -100.711 45.265 105.461 81.8595 PRESSAVG: 1894400 -4.52564 -27.2539 24.3094 -27.254 -0.317408 10.3101 24.3095 10.31 5.61588 GPRESSAVG: 1894400 -5.85189 -27.2778 23.1234 -23.7518 0.55673 8.87915 25.1536 11.4674 5.45957 TIMING: 1894400 CPU: 6041.3, 0.0031951/step Wall: 6041.3, 0.0031951/step, 2.7563 hours remaining, 239.527344 MB of memory in use. ENERGY: 1894400 4024.7216 20595.2115 14442.9211 275.1061 -202886.3987 2383.6151 0.0000 0.0000 51961.7282 -109203.0951 298.6248 -161164.8232 -108842.3571 299.7873 -46.4254 -23.3682 761242.0778 0.2576 0.0548 PRESSURE: 1894600 66.6963 -78.2531 -44.8575 -78.2536 43.266 -102.858 -44.8566 -102.858 -284.521 GPRESSURE: 1894600 92.273 -162.323 -50.1774 -42.6827 66.7055 -109.593 -99.4364 -161.428 -268.016 PRESSAVG: 1894600 5.29454 -22.2344 30.3375 -22.2343 5.58037 -5.45514 30.3375 -5.45513 -8.25531 GPRESSAVG: 1894600 6.79876 -22.2674 31.7027 -21.902 4.11926 -4.45259 29.1885 -5.10964 -7.91336 TIMING: 1894600 CPU: 6041.94, 0.00316579/step Wall: 6041.94, 0.00316579/step, 2.73085 hours remaining, 239.527344 MB of memory in use. ENERGY: 1894600 3939.1045 20489.3670 14465.6514 229.8466 -202949.7069 2411.7412 0.0000 0.0000 52227.5182 -109186.4780 300.1523 -161413.9962 -108820.2382 299.6628 -58.1862 -36.3458 760590.6040 0.8732 1.0016 PRESSURE: 1894800 112.963 94.8531 -58.2124 94.8528 20.0025 -44.2131 -58.2117 -44.2129 252.961 GPRESSURE: 1894800 167.449 141.633 -5.58759 57.2665 106.257 -7.11788 16.8156 -183.943 187.596 PRESSAVG: 1894800 -8.87839 -39.2303 10.4009 -39.2304 33.5283 41.291 10.401 41.2911 -11.5712 GPRESSAVG: 1894800 -9.92202 -39.1291 9.14261 -40.1596 34.1707 39.5092 10.9417 41.0637 -11.4306 TIMING: 1894800 CPU: 6042.57, 0.0031766/step Wall: 6042.57, 0.0031766/step, 2.73999 hours remaining, 239.527344 MB of memory in use. ENERGY: 1894800 3957.7706 20653.9210 14452.3304 246.9983 -202954.0306 2571.2294 0.0000 0.0000 51895.2201 -109176.5609 298.2425 -161071.7810 -108825.4470 299.8265 128.6422 153.7674 761872.7791 4.3596 4.2727 PRESSURE: 1895000 -309.278 35.3307 -74.4679 35.3309 -169.118 113.98 -74.4673 113.981 -423.33 GPRESSURE: 1895000 -264.776 -3.99551 -145.624 47.3143 -188.781 72.8208 95.9984 203.087 -375.148 PRESSAVG: 1895000 27.2391 -6.85247 10.9068 -6.85241 -22.9054 25.0665 10.907 25.0665 14.0255 GPRESSAVG: 1895000 28.433 -6.00132 11.6235 -8.97207 -22.6616 25.7463 11.8504 24.2943 12.9427 TIMING: 1895000 CPU: 6043.21, 0.00319128/step Wall: 6043.21, 0.00319128/step, 2.75248 hours remaining, 239.527344 MB of memory in use. ENERGY: 1895000 3986.0006 20513.2295 14433.3890 240.8877 -203111.6404 2537.3704 0.0000 0.0000 52027.3880 -109373.3752 299.0021 -161400.7632 -109013.8557 299.5858 -300.5752 -276.2353 760752.7090 6.1197 6.2380 PRESSURE: 1895200 321.257 13.9523 48.777 13.9527 76.2828 -61.1791 48.7768 -61.179 134.925 GPRESSURE: 1895200 302.331 88.548 -60.9992 -3.08435 120.636 -81.5221 61.0412 -31.0524 201.877 PRESSAVG: 1895200 39.5922 -22.8551 35.9742 -22.8551 7.59453 14.6489 35.9742 14.6489 3.06479 GPRESSAVG: 1895200 37.5082 -23.7798 35.8902 -21.0136 8.43849 15.7012 35.2416 13.6868 3.75569 TIMING: 1895200 CPU: 6043.84, 0.00317115/step Wall: 6043.84, 0.00317115/step, 2.73494 hours remaining, 239.527344 MB of memory in use. ENERGY: 1895200 3989.0686 20471.0388 14482.9328 235.3193 -203106.4382 2353.5429 0.0000 0.0000 52100.6537 -109473.8823 299.4232 -161574.5360 -109104.8141 299.0412 177.4882 208.2815 759809.0728 16.7505 16.5674 PRESSURE: 1895400 -109.589 109.978 155.397 109.978 -36.8211 -19.7478 155.397 -19.7477 -131.582 GPRESSURE: 1895400 -7.26461 157.079 164.025 243.699 -66.9786 37.6749 140.778 18.0206 -111.417 PRESSAVG: 1895400 12.292 -8.79996 73.0819 -8.79997 -10.6027 -30.7638 73.0819 -30.7637 22.5297 GPRESSAVG: 1895400 13.407 -8.12664 72.751 -10.127 -10.8536 -30.0515 72.0427 -29.9619 22.2631 TIMING: 1895400 CPU: 6044.48, 0.00318127/step Wall: 6044.48, 0.00318127/step, 2.74349 hours remaining, 239.527344 MB of memory in use. ENERGY: 1895400 4005.1192 20568.8069 14452.1380 220.3040 -203036.5129 2416.7045 0.0000 0.0000 51969.9833 -109403.4570 298.6722 -161373.4404 -109055.4201 299.4103 -92.6640 -61.8867 760837.2843 8.0730 8.2722 PRESSURE: 1895600 354.324 -151.357 10.7695 -151.357 41.5052 -1.88217 10.7699 -1.88161 -69.4015 GPRESSURE: 1895600 345.547 -194.416 -73.3968 -84.7702 203.533 87.856 38.6699 -131.202 -128.105 PRESSAVG: 1895600 17.3758 1.24606 53.873 1.24604 -0.0184859 6.67416 53.8731 6.67416 25.1756 GPRESSAVG: 1895600 16.7733 2.59435 51.6179 2.1449 1.20733 5.61098 54.1835 5.51861 23.9661 TIMING: 1895600 CPU: 6045.12, 0.00317955/step Wall: 6045.12, 0.00317955/step, 2.74184 hours remaining, 239.527344 MB of memory in use. ENERGY: 1895600 3998.2107 20302.6609 14482.0473 252.1280 -203439.4312 2667.9979 0.0000 0.0000 52258.5478 -109477.8386 300.3306 -161736.3864 -109124.2334 298.9486 108.8092 140.3251 760620.2923 14.1777 13.9823 PRESSURE: 1895800 -528.48 71.1692 -57.3408 71.1695 -167.507 -17.4262 -57.3405 -17.4267 170.88 GPRESSURE: 1895800 -461.557 141.245 14.6612 -45.9485 -163.324 -48.5114 -89.2899 -8.02263 193.162 PRESSAVG: 1895800 -1.54091 -25.7696 37.4669 -25.7697 -13.6587 -15.3693 37.4669 -15.3693 -4.84068 GPRESSAVG: 1895800 -1.21284 -27.076 38.7908 -28.4208 -15.2741 -15.9642 38.1982 -14.9001 -4.10534 TIMING: 1895800 CPU: 6045.75, 0.00317677/step Wall: 6045.75, 0.00317677/step, 2.73926 hours remaining, 239.527344 MB of memory in use. ENERGY: 1895800 3998.3987 20531.1542 14497.0341 273.9070 -203022.7792 2379.6436 0.0000 0.0000 52057.2230 -109285.4187 299.1736 -161342.6416 -108925.2881 299.5778 -175.0356 -143.9064 761353.5151 -6.6801 -6.8641 PRESSURE: 1896000 53.2066 24.5227 137.622 24.5232 -53.9353 14.2331 137.622 14.2333 -15.0351 GPRESSURE: 1896000 32.8884 53.5926 175.677 -20.9476 -26.3824 -49.0658 6.52148 94.2718 25.3739 PRESSAVG: 1896000 -0.494217 -10.1976 23.4426 -10.1975 -38.5166 -26.2389 23.4426 -26.2389 11.7787 GPRESSAVG: 1896000 -0.472976 -9.64033 22.6791 -8.76948 -38.102 -27.3467 23.9441 -24.5636 11.6184 TIMING: 1896000 CPU: 6046.38, 0.0031595/step Wall: 6046.38, 0.0031595/step, 2.72419 hours remaining, 239.527344 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: 1896000 3953.2483 20450.8217 14468.1303 238.6551 -203053.7135 2363.7966 0.0000 0.0000 52238.6538 -109340.4075 300.2163 -161579.0614 -108977.9777 299.5485 -5.2546 10.6267 762065.8092 -9.0774 -8.9855 PRESSURE: 1896200 82.3585 -106.726 -86.2457 -106.727 -124.225 -207.258 -86.2452 -207.258 269.987 GPRESSURE: 1896200 31.0483 -26.2995 -59.028 -49.645 -5.50042 -183.813 -16.161 -220.265 286.756 PRESSAVG: 1896200 -9.98192 9.36594 36.8701 9.36592 38.2109 18.3249 36.8701 18.3248 -6.75025 GPRESSAVG: 1896200 -12.4554 9.50753 37.6205 11.188 39.0823 19.9306 38.1049 16.8291 -4.76345 TIMING: 1896200 CPU: 6047.02, 0.00318281/step Wall: 6047.02, 0.00318281/step, 2.74411 hours remaining, 239.527344 MB of memory in use. ENERGY: 1896200 4046.1566 20591.2322 14488.7520 239.4337 -203209.9596 2524.3514 0.0000 0.0000 52025.9029 -109294.1308 298.9936 -161320.0337 -108936.8582 299.4466 76.0400 104.1013 761866.3389 7.1596 7.2878 LDB: ============= START OF LOAD BALANCING ============== 6059.47 LDB: ============== END OF LOAD BALANCING =============== 6059.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6059.48 LDB: ============= START OF LOAD BALANCING ============== 6059.8 LDB: Largest compute 7032 load 0.036163 is 18.5% of average load 0.195118 LDB: Average compute 0.004408 is 2.3% of average load 0.195118 LDB: TIME 6059.8 LOAD: AVG 0.195118 MAX 0.215039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 6059.8 LOAD: AVG 0.195118 MAX 0.215039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: TIME 6059.8 LOAD: AVG 0.195118 MAX 0.215039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: ============== END OF LOAD BALANCING =============== 6059.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6059.81 PRESSURE: 1896400 -154.888 -187.616 -6.21108 -187.616 -49.558 -44.5308 -6.21055 -44.5314 -15.6275 GPRESSURE: 1896400 -35.7475 -116.973 -66.3367 -103.913 -36.8966 -41.3811 -15.3124 -98.6291 -69.8587 PRESSAVG: 1896400 -30.0724 24.1437 33.8489 24.1436 54.7578 21.056 33.849 21.056 13.1361 GPRESSAVG: 1896400 -27.837 24.2361 35.2537 22.6489 54.1458 20.3099 31.6796 22.3886 10.92 TIMING: 1896400 CPU: 6047.67, 0.00325793/step Wall: 6047.67, 0.00325793/step, 2.8087 hours remaining, 242.859375 MB of memory in use. ENERGY: 1896400 4063.1425 20580.7874 14483.0341 240.4590 -203404.0721 2453.4744 0.0000 0.0000 52239.4867 -109343.6880 300.2210 -161583.1748 -108976.1607 299.7852 -73.3579 -47.5009 760296.7187 12.6072 12.4096 PRESSURE: 1896600 -554.301 123.615 18.8195 123.616 -177.477 252.855 18.8203 252.854 131.356 GPRESSURE: 1896600 -519.095 44.1751 75.746 84.8531 -68.9434 192.479 27.4269 356.245 74.1643 PRESSAVG: 1896600 6.01497 30.1898 32.297 30.1898 -1.24591 -24.1833 32.2969 -24.1832 14.712 GPRESSAVG: 1896600 5.76111 29.5777 31.0008 30.2 -0.726793 -24.5942 32.7613 -25.1008 14.6658 TIMING: 1896600 CPU: 6048.31, 0.00318571/step Wall: 6048.31, 0.00318571/step, 2.74626 hours remaining, 242.929688 MB of memory in use. ENERGY: 1896600 4013.7729 20435.9906 14477.6603 237.7103 -202935.8609 2209.1061 0.0000 0.0000 52067.1006 -109494.5201 299.2303 -161561.6207 -109129.8940 299.3266 -200.1406 -171.2914 760569.4948 6.4937 6.5667 PRESSURE: 1896800 -156.852 232.591 -96.284 232.591 30.1747 85.2508 -96.2839 85.2519 -94.2657 GPRESSURE: 1896800 -73.6908 314.877 -103.534 122.085 53.1451 25.8081 -155.957 135.343 -123.693 PRESSAVG: 1896800 1.42208 4.54164 29.8512 4.54167 -2.27947 -15.4576 29.8512 -15.4576 23.3141 GPRESSAVG: 1896800 1.11816 3.80972 29.9329 5.02357 -2.59921 -15.9001 30.1871 -14.499 23.9268 TIMING: 1896800 CPU: 6048.94, 0.00317601/step Wall: 6048.94, 0.00317601/step, 2.73772 hours remaining, 242.929688 MB of memory in use. ENERGY: 1896800 3983.3187 20640.6542 14491.5835 231.8273 -202875.2780 2222.0354 0.0000 0.0000 51825.9459 -109479.9130 297.8444 -161305.8589 -109135.0839 298.7847 -73.6476 -48.0796 761837.8129 7.4856 7.4819 PRESSURE: 1897000 139.569 -89.204 212.298 -89.2044 125.832 4.68657 212.298 4.68705 34.5295 GPRESSURE: 1897000 141.951 -142.351 181.973 -61.9062 146.219 -86.767 232.414 69.4082 94.8788 PRESSAVG: 1897000 -2.53362 9.49096 61.3813 9.49093 29.2549 11.3109 61.3813 11.3109 -11.0269 GPRESSAVG: 1897000 -2.46471 10.1254 62.0729 9.90943 28.6453 12.4832 61.9369 12.7906 -10.4978 TIMING: 1897000 CPU: 6049.58, 0.00318712/step Wall: 6049.58, 0.00318712/step, 2.74712 hours remaining, 242.929688 MB of memory in use. ENERGY: 1897000 3904.7937 20669.1869 14410.3857 237.2838 -203361.7291 2697.5931 0.0000 0.0000 52048.5574 -109393.9284 299.1238 -161442.4859 -109038.2004 299.0978 99.9766 127.6830 759434.4136 5.2314 5.2276 PRESSURE: 1897200 182.122 -0.307618 -175.183 -0.307687 -32.9617 -55.327 -175.183 -55.3284 -215.732 GPRESSURE: 1897200 146.25 -6.42366 -142.154 -48.742 33.3898 -56.7614 -240.615 69.3552 -174.183 PRESSAVG: 1897200 35.0796 -39.3744 57.2789 -39.3745 27.8541 48.3717 57.2789 48.3717 11.004 GPRESSAVG: 1897200 36.9724 -37.7908 58.3206 -41.9765 27.1477 47.6391 55.2428 46.9328 9.90717 TIMING: 1897200 CPU: 6050.21, 0.00316688/step Wall: 6050.21, 0.00316688/step, 2.7295 hours remaining, 242.929688 MB of memory in use. ENERGY: 1897200 4088.6244 20536.2717 14454.5989 251.8291 -203110.9131 2525.4558 0.0000 0.0000 52210.1543 -109043.9790 300.0525 -161254.1332 -108678.9830 300.1564 -22.1903 1.8191 761396.9873 24.6459 24.6758 PRESSURE: 1897400 250.253 116.508 131.389 116.508 -153.026 88.3783 131.389 88.378 410.064 GPRESSURE: 1897400 187.824 112.503 133.263 69.3323 10.5872 97.803 151.363 149.047 392.753 PRESSAVG: 1897400 33.8272 -54.6763 50.4276 -54.6763 -5.47832 -26.2204 50.4276 -26.2203 13.7543 GPRESSAVG: 1897400 32.5731 -55.1096 49.4888 -55.3197 -5.30433 -23.3318 51.6488 -28.7126 14.524 TIMING: 1897400 CPU: 6050.85, 0.00318295/step Wall: 6050.85, 0.00318295/step, 2.74317 hours remaining, 242.929688 MB of memory in use. ENERGY: 1897400 3980.1182 20516.4996 14507.8194 245.3924 -203234.2904 2616.6059 0.0000 0.0000 52196.0431 -109171.8119 299.9714 -161367.8550 -108823.6213 299.7747 169.0970 197.0548 760716.2035 14.0344 13.9309 PRESSURE: 1897600 -107.844 -239.642 144.982 -239.642 -19.9333 -69.2712 144.981 -69.2725 -110.995 GPRESSURE: 1897600 -76.3395 -163.769 67.7982 -165.11 54.9417 60.3483 83.6274 74.2943 -113.334 PRESSAVG: 1897600 57.4231 -39.1069 64.7245 -39.1069 -13.819 26.0811 64.7245 26.0811 0.492503 GPRESSAVG: 1897600 55.6301 -38.0469 63.3986 -37.1796 -11.7501 24.6015 65.92 28.4238 -0.170537 TIMING: 1897600 CPU: 6051.48, 0.00316776/step Wall: 6051.48, 0.00316776/step, 2.72991 hours remaining, 242.929688 MB of memory in use. ENERGY: 1897600 3989.0757 20452.5395 14449.2624 245.5718 -203052.8705 2557.6313 0.0000 0.0000 52156.9036 -109201.8863 299.7464 -161358.7899 -108844.1565 300.0112 -79.5908 -44.9106 761180.5276 14.6989 14.5698 PRESSURE: 1897800 -90.8316 180.642 324.792 180.642 -6.1286 -204.705 324.792 -204.704 507.553 GPRESSURE: 1897800 -135.085 114.135 377.035 94.6817 105.681 -186.859 186.436 -207.27 535.23 PRESSAVG: 1897800 0.38853 -63.6908 43.4826 -63.6908 -11.4983 31.5084 43.4826 31.5084 -12.5481 GPRESSAVG: 1897800 1.89985 -66.2315 43.488 -62.9091 -13.2357 32.8925 42.8268 29.5607 -12.4368 TIMING: 1897800 CPU: 6052.12, 0.00316389/step Wall: 6052.12, 0.00316389/step, 2.7264 hours remaining, 242.929688 MB of memory in use. ENERGY: 1897800 3948.8525 20652.5735 14474.0497 246.6809 -203245.8023 2633.5527 0.0000 0.0000 52345.9804 -108944.1125 300.8331 -161290.0929 -108590.0391 299.9004 136.8643 168.6089 761322.7031 -7.8860 -7.9242 PRESSURE: 1898000 266.202 87.0808 200.473 87.0811 176.579 98.266 200.473 98.2662 -158.218 GPRESSURE: 1898000 363.554 -22.6597 151.665 73.3876 222.924 83.2131 60.8173 82.2246 -204.488 PRESSAVG: 1898000 33.9466 0.00159377 16.8716 0.00157167 29.0698 -30.4759 16.8717 -30.4759 6.3535 GPRESSAVG: 1898000 34.855 -1.39876 16.7087 -0.558708 27.215 -32.5366 16.3192 -29.0628 7.30543 TIMING: 1898000 CPU: 6052.75, 0.0031659/step Wall: 6052.75, 0.0031659/step, 2.72795 hours remaining, 242.929688 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: 1898000 3994.0685 20450.0459 14500.2623 238.0692 -203074.8890 2616.9427 0.0000 0.0000 52276.4631 -108999.0373 300.4336 -161275.5004 -108638.6500 300.3958 94.8544 127.3299 758826.9242 23.1233 23.1252 PRESSURE: 1898200 -187.442 168.721 118.478 168.721 -52.8991 101.965 118.478 101.965 58.2841 GPRESSURE: 1898200 -216.558 92.3298 44.2349 154.642 63.5227 149.774 81.5567 98.5298 54.664 PRESSAVG: 1898200 27.7101 -0.715137 -38.9338 -0.715182 -49.4961 3.64347 -38.9338 3.64346 -16.6988 GPRESSAVG: 1898200 25.9003 2.34752 -38.5189 -0.849079 -47.7267 3.12101 -38.3101 2.92934 -17.0743 TIMING: 1898200 CPU: 6053.38, 0.00315771/step Wall: 6053.38, 0.00315771/step, 2.72072 hours remaining, 242.929688 MB of memory in use. ENERGY: 1898200 3940.0127 20527.2133 14435.1992 262.9171 -202593.1894 2228.2912 0.0000 0.0000 52290.3029 -108909.2530 300.5131 -161199.5559 -108542.6944 300.3535 -60.6856 -32.7904 761350.8809 -12.8283 -12.9669 PRESSURE: 1898400 344.278 -117.852 -296.284 -117.852 -271.611 144.768 -296.284 144.769 121.245 GPRESSURE: 1898400 308.463 -151.297 -267.951 -63.0664 -85.7682 85.6074 -371.368 189.417 85.4535 PRESSAVG: 1898400 25.0528 -8.16353 -46.1946 -8.16359 -14.8818 15.1355 -46.1947 15.1354 6.78109 GPRESSAVG: 1898400 24.6122 -10.2181 -46.0061 -7.72268 -14.6153 15.9269 -47.5373 15.9395 6.81728 TIMING: 1898400 CPU: 6054.01, 0.00316135/step Wall: 6054.01, 0.00316135/step, 2.72368 hours remaining, 242.929688 MB of memory in use. ENERGY: 1898400 3821.3327 20476.2180 14468.2605 257.5424 -202918.9996 2741.3470 0.0000 0.0000 52050.3578 -109103.9412 299.1341 -161154.2990 -108734.8751 300.2996 64.6374 102.7161 761035.2513 5.6507 5.6047 PRESSURE: 1898600 160.971 25.6529 -61.133 25.6528 330.107 -116.555 -61.134 -116.555 -147.804 GPRESSURE: 1898600 182.988 13.4514 -7.99024 2.71839 332.198 -163.913 -111.409 -72.8496 -78.6414 PRESSAVG: 1898600 15.6157 -53.2418 22.1622 -53.2417 -8.63457 78.2107 22.1622 78.2107 -4.40796 GPRESSAVG: 1898600 15.778 -51.4949 22.1468 -54.7306 -8.75772 78.0463 23.9941 77.8046 -4.15712 TIMING: 1898600 CPU: 6054.65, 0.00318271/step Wall: 6054.65, 0.00318271/step, 2.7419 hours remaining, 242.929688 MB of memory in use. ENERGY: 1898600 3925.7902 20374.8252 14418.0194 248.6894 -202823.5609 2474.2575 0.0000 0.0000 52166.8953 -109215.0839 299.8039 -161381.9792 -108858.8428 299.8166 114.4247 145.5148 761736.8780 0.8577 0.9544 PRESSURE: 1898800 79.6578 -144.855 44.2439 -144.855 267.332 103.643 44.2441 103.643 176.912 GPRESSURE: 1898800 191.825 -61.4515 0.272589 -150.822 205.236 50.585 38.7465 134.605 221.245 PRESSAVG: 1898800 50.4992 -43.5722 9.5713 -43.5721 -57.486 38.0351 9.57128 38.0351 -8.58704 GPRESSAVG: 1898800 51.5819 -42.9203 9.62133 -42.2929 -58.921 38.1894 9.30819 38.0872 -8.47731 TIMING: 1898800 CPU: 6055.28, 0.00316097/step Wall: 6055.28, 0.00316097/step, 2.723 hours remaining, 242.929688 MB of memory in use. ENERGY: 1898800 4025.0059 20484.5606 14472.5605 251.2803 -203292.9432 2753.2698 0.0000 0.0000 52213.6775 -109092.5886 300.0727 -161306.2661 -108736.7839 300.1432 174.6341 206.1021 759311.4969 -5.1913 -5.2721 PRESSURE: 1899000 141.188 -127.736 33.4042 -127.736 37.5474 160.351 33.4044 160.35 280.19 GPRESSURE: 1899000 273.287 -152.201 -8.54198 -30.6985 -6.80242 196.96 187.616 90.5545 267.084 PRESSAVG: 1899000 -39.7119 21.6891 43.0066 21.6891 20.1312 42.227 43.0067 42.227 -10.4604 GPRESSAVG: 1899000 -40.5863 19.2467 42.3942 22.9848 21.6074 41.7098 42.7847 42.1305 -10.4572 TIMING: 1899000 CPU: 6055.92, 0.00316592/step Wall: 6055.92, 0.00316592/step, 2.72709 hours remaining, 242.929688 MB of memory in use. ENERGY: 1899000 3994.3857 20520.9706 14470.9636 249.2609 -202409.0228 2129.5415 0.0000 0.0000 52046.6245 -108997.2761 299.1127 -161043.9006 -108629.5374 300.5006 152.9751 177.8561 761262.7576 -10.0137 -9.8121 PRESSURE: 1899200 49.2102 -178.863 73.8278 -178.863 55.0066 -36.1343 73.8275 -36.1333 -54.309 GPRESSURE: 1899200 115.168 -155.758 29.7032 -236.351 23.1519 -96.8451 18.788 105.908 2.64961 PRESSAVG: 1899200 -31.1322 6.58562 67.0741 6.5857 -7.23963 33.6657 67.0742 33.6657 5.37647 GPRESSAVG: 1899200 -29.7019 8.12884 66.5786 5.12463 -8.53751 32.2478 68.1579 35.5238 4.96891 TIMING: 1899200 CPU: 6056.55, 0.00316908/step Wall: 6056.55, 0.00316908/step, 2.72963 hours remaining, 242.929688 MB of memory in use. ENERGY: 1899200 4044.0911 20535.9441 14478.5650 258.7270 -203023.5132 2600.8435 0.0000 0.0000 52190.5410 -108914.8015 299.9398 -161105.3425 -108554.1781 300.2649 16.6359 46.9897 760909.4926 -10.9985 -11.0902 PRESSURE: 1899400 147.475 51.4376 -152.752 51.4373 -277.436 142.856 -152.752 142.855 -126.457 GPRESSURE: 1899400 209.113 -74.233 -162.156 -36.3308 -264.256 183.183 -170.914 67.5355 -112.708 PRESSAVG: 1899400 -16.3534 28.9162 66.476 28.9162 -1.98955 -20.3731 66.476 -20.3731 -1.88398 GPRESSAVG: 1899400 -17.4075 27.1489 68.6426 28.2864 -0.96933 -18.0836 61.9435 -20.7 -2.04593 TIMING: 1899400 CPU: 6057.19, 0.0031764/step Wall: 6057.19, 0.0031764/step, 2.73576 hours remaining, 242.929688 MB of memory in use. ENERGY: 1899400 4004.4126 20791.3246 14460.2437 246.0031 -202655.8948 2145.1310 0.0000 0.0000 52100.3519 -108908.4279 299.4214 -161008.7798 -108552.6016 300.5539 -85.4725 -55.9501 760326.0491 -6.7423 -6.8076 PRESSURE: 1899600 303.046 90.8351 -213.929 90.835 -50.1295 -165.132 -213.931 -165.132 139.977 GPRESSURE: 1899600 287.132 32.7163 -269.166 134.293 -11.8766 -159.904 20.4899 -128.035 185.288 PRESSAVG: 1899600 85.1929 5.10493 -2.02963 5.10494 -81.0025 1.57668 -2.02968 1.57669 20.4185 GPRESSAVG: 1899600 85.7463 6.50936 -4.06947 5.65024 -80.9818 1.50572 4.12212 -1.57828 20.2005 TIMING: 1899600 CPU: 6057.82, 0.00316995/step Wall: 6057.82, 0.00316995/step, 2.73003 hours remaining, 242.929688 MB of memory in use. ENERGY: 1899600 4052.0022 20461.2471 14461.3394 254.5177 -203007.8186 2568.5395 0.0000 0.0000 52359.3115 -108850.8612 300.9097 -161210.1727 -108488.9191 300.4943 130.9644 153.5145 760678.4538 8.2030 8.3217 PRESSURE: 1899800 -45.4941 -114.911 -128.139 -114.911 -199.54 -42.8067 -128.139 -42.8065 264.361 GPRESSURE: 1899800 -14.0089 10.8904 -83.4396 -173.33 -101.867 -15.2484 -179.165 45.4768 239.137 PRESSAVG: 1899800 -18.9868 -25.9693 19.6211 -25.9692 27.0324 15.2584 19.6211 15.2584 3.47996 GPRESSAVG: 1899800 -17.9755 -24.8539 20.957 -26.0271 25.6237 12.3675 17.3648 16.4779 4.25615 TIMING: 1899800 CPU: 6058.46, 0.00318721/step Wall: 6058.46, 0.00318721/step, 2.74472 hours remaining, 242.929688 MB of memory in use. ENERGY: 1899800 3981.4124 20501.9271 14449.8264 232.2741 -203137.1302 2756.8725 0.0000 0.0000 52130.5459 -109084.2718 299.5950 -161214.8177 -108718.4930 300.1800 6.4425 41.0868 760707.5341 3.8419 3.9681 WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1900000 -116.013 61.4188 -23.6559 61.4195 -241.273 127.494 -23.6556 127.492 -74.2314 GPRESSURE: 1900000 -63.4144 40.0745 122.234 63.7033 -243.466 147.974 -136.553 72.1291 -23.9197 PRESSAVG: 1900000 40.5386 -20.0361 10.039 -20.0362 -45.1666 47.5532 10.039 47.5532 10.3473 GPRESSAVG: 1900000 41.0741 -22.2557 8.4371 -19.0223 -45.8897 49.248 9.39187 49.7115 10.9363 TIMING: 1900000 CPU: 6061.81, 0.0167566/step Wall: 6061.81, 0.0167566/step, 14.4293 hours remaining, 242.929688 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: 1900000 4032.8863 20393.9040 14504.4822 249.6786 -203237.3454 2466.9300 0.0000 0.0000 52334.9097 -109254.5545 300.7694 -161589.4643 -108890.2867 300.4912 -143.8388 -110.2668 760801.9403 1.9064 2.0402 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 PRESSURE: 1900200 190.491 -66.9713 -136.59 -66.9713 -100.515 92.3959 -136.59 92.3968 492.283 GPRESSURE: 1900200 109.934 -61.9626 -110.878 114.89 65.1281 95.1556 -68.7531 46.4192 491.286 PRESSAVG: 1900200 23.5757 -8.42965 6.48844 -8.42968 -23.2595 25.3627 6.48842 25.3627 7.13074 GPRESSAVG: 1900200 22.2479 -7.61085 8.70553 -10.5038 -20.2706 25.6852 8.43135 22.1804 6.58475 TIMING: 1900200 CPU: 6064.5, 0.013475/step Wall: 6064.5, 0.013475/step, 11.6027 hours remaining, 242.929688 MB of memory in use. ENERGY: 1900200 3987.0077 20607.2595 14426.0434 235.9532 -203376.0060 2692.6666 0.0000 0.0000 52376.8893 -109050.1863 301.0107 -161427.0756 -108694.9090 300.5122 194.0865 222.1161 759755.9379 2.4823 2.8540 LDB: ============= START OF LOAD BALANCING ============== 6076.96 LDB: ============== END OF LOAD BALANCING =============== 6076.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6076.96 LDB: ============= START OF LOAD BALANCING ============== 6077.28 LDB: Largest compute 7071 load 0.036403 is 18.7% of average load 0.195090 LDB: Average compute 0.004400 is 2.3% of average load 0.195090 LDB: TIME 6077.28 LOAD: AVG 0.19509 MAX 0.217111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.078 MB LDB: TIME 6077.28 LOAD: AVG 0.19509 MAX 0.217111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: TIME 6077.28 LOAD: AVG 0.19509 MAX 0.217111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: ============== END OF LOAD BALANCING =============== 6077.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6077.29 PRESSURE: 1900400 229.765 -19.0356 -137.292 -19.037 -83.2436 -203.266 -137.291 -203.267 245.26 GPRESSURE: 1900400 215.22 -82.2371 -196.571 -62.777 0.546013 -150.928 -158.65 -244.312 261.748 PRESSAVG: 1900400 5.81901 -48.5175 13.1844 -48.5174 1.36253 20.3196 13.1844 20.3196 1.89976 GPRESSAVG: 1900400 5.92432 -47.8016 11.0626 -48.7199 0.366491 19.3671 15.2728 22.9422 2.52247 TIMING: 1900400 CPU: 6065.15, 0.00323565/step Wall: 6065.15, 0.00323564/step, 2.78589 hours remaining, 239.324219 MB of memory in use. ENERGY: 1900400 3955.8872 20582.3946 14495.6367 267.3393 -203136.3721 2535.1047 0.0000 0.0000 52247.8349 -109052.1747 300.2690 -161300.0097 -108696.8692 300.4294 130.5936 159.1714 758415.3165 3.0271 2.9378 PRESSURE: 1900600 -249.947 -21.8989 83.3218 -21.8983 -293.609 161.105 83.3211 161.104 -282.154 GPRESSURE: 1900600 -62.8491 -20.8414 20.4243 4.44473 -359.669 178.91 162.963 116.041 -327.645 PRESSAVG: 1900600 4.29654 -34.6327 -42.8765 -34.6327 29.0098 -34.2057 -42.8765 -34.2057 -6.36531 GPRESSAVG: 1900600 5.02998 -36.0896 -43.6324 -31.6316 29.0287 -33.1206 -45.9533 -36.1261 -6.9142 TIMING: 1900600 CPU: 6065.79, 0.00318035/step Wall: 6065.79, 0.00318035/step, 2.7381 hours remaining, 239.363281 MB of memory in use. ENERGY: 1900600 3927.6404 20537.7004 14480.6997 251.6108 -202788.2244 2168.2131 0.0000 0.0000 52291.8735 -109130.4865 300.5221 -161422.3601 -108773.0305 300.1794 -275.2364 -250.0546 761389.9126 8.9804 9.0482 PRESSURE: 1900800 59.1224 11.5138 83.1005 11.5135 165.266 128.83 83.1007 128.83 -790.463 GPRESSURE: 1900800 68.2041 31.2335 7.15025 -98.4032 165.784 48.3843 74.2923 205.097 -688.856 PRESSAVG: 1900800 -18.0289 0.314089 41.855 0.314089 -5.40052 48.0559 41.8551 48.0559 0.675419 GPRESSAVG: 1900800 -17.8674 0.630466 42.2765 -3.94256 -5.84896 48.4138 41.583 48.1953 1.13719 TIMING: 1900800 CPU: 6066.42, 0.00317688/step Wall: 6066.42, 0.00317688/step, 2.73494 hours remaining, 239.363281 MB of memory in use. ENERGY: 1900800 4006.0946 20539.8771 14451.6275 235.9304 -202934.7843 2375.0371 0.0000 0.0000 52327.4647 -108998.7530 300.7267 -161326.2177 -108639.1183 299.4666 -188.6913 -151.6227 760456.1986 -7.5847 -7.5264 PRESSURE: 1901000 147.727 -46.2922 -363.737 -46.2924 -151.765 -51.7482 -363.737 -51.7475 -71.3479 GPRESSURE: 1901000 92.0729 -41.444 -355.569 -44.3181 -115.739 2.78163 -238.808 40.7258 28.2625 PRESSAVG: 1901000 -44.7624 0.993892 -44.3197 0.99388 32.6149 77.6416 -44.3196 77.6415 23.8156 GPRESSAVG: 1901000 -45.2736 1.68828 -42.6468 1.56191 33.37 77.7316 -44.2925 78.626 23.2814 TIMING: 1901000 CPU: 6067.06, 0.00317115/step Wall: 6067.06, 0.00317115/step, 2.72983 hours remaining, 239.363281 MB of memory in use. ENERGY: 1901000 3908.9094 20647.6187 14532.8927 260.9997 -203232.7688 2367.0694 0.0000 0.0000 52314.6068 -109200.6720 300.6528 -161515.2787 -108836.7027 300.1890 -25.1286 1.5320 761294.6512 3.8894 3.7926 PRESSURE: 1901200 -364.103 71.996 -70.6977 71.9971 -111.11 129.177 -70.6976 129.178 -93.2842 GPRESSURE: 1901200 -247.37 -6.69699 -33.681 109.69 -54.8926 189.507 -58.4045 83.9308 -182.967 PRESSAVG: 1901200 -11.34 -4.01096 38.7498 -4.01092 10.3267 22.4636 38.7498 22.4636 -18.3624 GPRESSAVG: 1901200 -11.8866 -4.32628 37.7323 -4.31913 10.8666 23.0222 38.8912 21.2302 -17.3595 TIMING: 1901200 CPU: 6067.69, 0.00318365/step Wall: 6067.69, 0.00318365/step, 2.74041 hours remaining, 239.363281 MB of memory in use. ENERGY: 1901200 3955.8330 20364.6756 14455.4219 242.6732 -202684.7625 2088.6648 0.0000 0.0000 52426.3272 -109151.1668 301.2948 -161577.4940 -108788.2751 300.1526 -189.4992 -161.7432 761367.9281 -6.4586 -6.1265 PRESSURE: 1901400 94.2655 -97.0623 -233.94 -97.0637 70.6862 -35.3112 -233.94 -35.3112 419.109 GPRESSURE: 1901400 144.553 -92.9188 -265.459 -145.809 51.7379 -55.6643 -233.957 16.5971 471.617 PRESSAVG: 1901400 -10.444 -10.6169 11.8735 -10.6168 -8.08442 63.9145 11.8735 63.9145 22.0857 GPRESSAVG: 1901400 -9.52327 -7.21977 11.9254 -10.9807 -7.50888 64.0529 10.8053 63.9389 20.3073 TIMING: 1901400 CPU: 6068.33, 0.00318498/step Wall: 6068.33, 0.00318497/step, 2.74138 hours remaining, 239.363281 MB of memory in use. ENERGY: 1901400 3875.0647 20365.3423 14551.4932 244.0249 -203602.7449 2722.0289 0.0000 0.0000 52414.7915 -109429.9994 301.2285 -161844.7910 -109051.2476 299.9148 194.6870 222.6362 761696.4416 1.1858 1.0917 PRESSURE: 1901600 -139.135 63.2834 -41.712 63.284 -202.195 -32.9791 -41.7127 -32.9798 227.786 GPRESSURE: 1901600 -182.629 122.992 -150.415 121.913 -130.118 37.2272 10.063 -146.731 278.434 PRESSAVG: 1901600 -8.75998 -6.5656 -63.77 -6.56562 29.8804 -9.87495 -63.77 -9.87496 -25.0256 GPRESSAVG: 1901600 -9.08482 -11.0943 -63.8915 -4.11641 29.1316 -10.6986 -62.7976 -8.53645 -24.4239 TIMING: 1901600 CPU: 6068.96, 0.0031619/step Wall: 6068.96, 0.0031619/step, 2.72134 hours remaining, 239.363281 MB of memory in use. ENERGY: 1901600 3955.3913 20571.0911 14562.4065 259.2196 -202836.4402 2125.6052 0.0000 0.0000 51875.1003 -109487.6262 298.1269 -161362.7265 -109127.9873 299.5056 -37.8477 -11.4375 763015.9440 -1.3018 -1.4591 PRESSURE: 1901800 149.762 94.16 -172.15 94.1594 -331.669 -10.64 -172.15 -10.6397 -57.379 GPRESSURE: 1901800 161.362 43.3143 -105.455 34.8382 -304.053 30.7546 -270.926 4.85909 -20.7173 PRESSAVG: 1901800 -2.61282 12.9619 -60.2931 12.9619 -20.5203 -27.275 -60.293 -27.2749 2.32879 GPRESSAVG: 1901800 -1.95472 15.4902 -58.4515 10.6928 -20.4279 -27.032 -60.2915 -28.7189 1.94526 TIMING: 1901800 CPU: 6069.59, 0.00314876/step Wall: 6069.59, 0.00314876/step, 2.70986 hours remaining, 239.363281 MB of memory in use. ENERGY: 1901800 4031.4156 20537.4136 14452.5782 243.8099 -203358.4448 2527.5276 0.0000 0.0000 51871.9237 -109693.7762 298.1087 -161565.6998 -109337.9925 298.8249 -79.7619 -54.4695 761298.4998 -6.9348 -6.8124 PRESSURE: 1902000 -300.932 180.259 90.2395 180.26 150.211 23.5282 90.2402 23.5285 333.586 GPRESSURE: 1902000 -275.112 88.9371 27.5144 135.898 145.399 25.3676 -57.945 -59.9717 393.783 PRESSAVG: 1902000 2.60145 -14.324 -51.3833 -14.324 -38.6548 54.7122 -51.3833 54.7122 6.61943 GPRESSAVG: 1902000 2.27889 -17.4797 -52.4811 -11.2343 -38.861 53.4183 -52.2335 56.8874 7.47588 TIMING: 1902000 CPU: 6070.22, 0.00315441/step Wall: 6070.22, 0.00315441/step, 2.71454 hours remaining, 239.363281 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: 1902000 3957.5922 20691.8909 14432.1898 258.5147 -203223.4553 2395.8638 0.0000 0.0000 52083.8918 -109403.5121 299.3268 -161487.4039 -109039.1640 299.4457 60.9554 88.0234 759816.3185 -9.8113 -9.7021 PRESSURE: 1902200 16.9803 -228.158 29.9809 -228.158 243.269 -0.870307 29.9811 -0.870586 26.4953 GPRESSURE: 1902200 111.185 -90.8898 68.8421 -213.66 146.737 54.6319 119.363 10.1824 125.999 PRESSAVG: 1902200 -10.017 -3.87486 -66.2454 -3.87487 42.2974 43.03 -66.2454 43.03 22.8532 GPRESSAVG: 1902200 -9.00936 -0.883256 -67.0098 -5.66276 41.7461 45.9136 -65.6288 41.5236 22.4089 TIMING: 1902200 CPU: 6070.86, 0.00316714/step Wall: 6070.86, 0.00316714/step, 2.72532 hours remaining, 239.363281 MB of memory in use. ENERGY: 1902200 3990.7720 20357.9227 14460.0689 246.5421 -203537.2560 2669.8249 0.0000 0.0000 52210.0590 -109602.0663 300.0519 -161812.1253 -109230.5937 300.2929 95.5815 127.9734 758670.9340 18.3779 18.3819 PRESSURE: 1902400 -91.256 93.9842 24.8724 93.9844 -206.867 144.008 24.871 144.008 270.168 GPRESSURE: 1902400 -5.49364 45.5786 14.4292 205.658 -215.148 154.383 169.004 184.723 289.379 PRESSAVG: 1902400 3.75807 14.4469 29.8047 14.4469 24.3395 33.7613 29.8047 33.7612 -4.82019 GPRESSAVG: 1902400 4.17232 14.4967 30.5418 14.9417 25.1333 33.1182 31.9872 34.5754 -5.88342 TIMING: 1902400 CPU: 6071.49, 0.00315632/step Wall: 6071.49, 0.00315632/step, 2.71583 hours remaining, 239.363281 MB of memory in use. ENERGY: 1902400 4011.7781 20573.7107 14439.9264 239.3833 -203424.2271 2588.7389 0.0000 0.0000 52335.5389 -109235.1506 300.7731 -161570.6896 -108875.4755 299.4892 -9.3182 22.9122 760309.0476 7.7591 7.8074 PRESSURE: 1902600 43.9136 -8.67059 -103.013 -8.67088 -217.951 130.704 -103.013 130.705 -342.898 GPRESSURE: 1902600 49.4067 -54.2671 -49.6492 -158.903 -149.837 113.755 -108.759 82.0921 -331.244 PRESSAVG: 1902600 -2.07923 -18.2508 -30.247 -18.2508 17.731 -8.59781 -30.247 -8.5978 -7.17964 GPRESSAVG: 1902600 -3.98668 -21.2766 -29.7424 -18.7197 18.433 -10.385 -31.4804 -9.81868 -5.37216 TIMING: 1902600 CPU: 6072.12, 0.00315612/step Wall: 6072.12, 0.00315612/step, 2.71549 hours remaining, 239.363281 MB of memory in use. ENERGY: 1902600 4028.0852 20691.2958 14417.3009 239.4122 -203374.9900 2607.8193 0.0000 0.0000 52174.1737 -109216.9029 299.8457 -161391.0766 -108861.4301 300.3342 -172.3120 -143.8915 762220.3227 2.8240 3.0247 PRESSURE: 1902800 -124.003 -115.571 77.4371 -115.572 -498.244 201.288 77.4376 201.288 -501.152 GPRESSURE: 1902800 -75.8998 -135.882 79.4002 -107.291 -460.162 191.604 26.5544 115.846 -520.608 PRESSAVG: 1902800 23.6513 14.1799 3.97591 14.1799 -17.4828 8.89595 3.97591 8.896 12.8879 GPRESSAVG: 1902800 23.6854 15.3359 2.5947 16.6342 -16.8173 7.98525 5.4706 10.2295 12.5268 TIMING: 1902800 CPU: 6072.75, 0.00317801/step Wall: 6072.75, 0.00317801/step, 2.73415 hours remaining, 239.363281 MB of memory in use. ENERGY: 1902800 3997.7825 20400.0513 14494.9799 231.9484 -203071.4201 2231.8572 0.0000 0.0000 52340.7124 -109374.0883 300.8028 -161714.8008 -108996.1440 300.0250 -374.4661 -352.2232 760704.1177 6.3521 6.4650 PRESSURE: 1903000 -92.4946 67.2072 -164.72 67.2074 -174.649 -152.793 -164.719 -152.793 246.339 GPRESSURE: 1903000 -124.24 57.8479 -202.286 42.1499 -70.0476 -61.6123 -219.906 -130.652 255.882 PRESSAVG: 1903000 -25.634 -34.8047 -33.4463 -34.8047 17.6714 -5.31217 -33.4463 -5.31223 -25.149 GPRESSAVG: 1903000 -23.9535 -33.7576 -32.0709 -37.4574 17.5303 -2.15109 -35.45 -6.94901 -26.0283 TIMING: 1903000 CPU: 6073.39, 0.00315892/step Wall: 6073.39, 0.00315892/step, 2.71755 hours remaining, 239.363281 MB of memory in use. ENERGY: 1903000 3952.4250 20573.6817 14468.2536 257.8625 -203485.2832 2435.3358 0.0000 0.0000 52301.2162 -109496.5085 300.5758 -161797.7247 -109135.9765 299.9053 -6.9350 20.5315 760526.8600 -11.0372 -10.8172 PRESSURE: 1903200 85.7958 -26.7297 226.009 -26.7301 -131.595 123.474 226.009 123.474 348.579 GPRESSURE: 1903200 73.7967 -21.0663 67.7856 -15.4094 -37.219 98.8993 187.516 129.063 385.325 PRESSAVG: 1903200 -28.8068 -37.5891 25.8811 -37.589 28.6322 3.37059 25.8812 3.37051 -18.2368 GPRESSAVG: 1903200 -29.4567 -37.8265 23.6256 -36.7084 28.5053 2.45671 26.4293 4.55642 -18.0986 TIMING: 1903200 CPU: 6074.02, 0.00314721/step Wall: 6074.02, 0.00314721/step, 2.7073 hours remaining, 239.351562 MB of memory in use. ENERGY: 1903200 3971.1629 20519.0793 14483.4722 233.6460 -203527.8704 2773.2080 0.0000 0.0000 52077.7784 -109469.5237 299.2917 -161547.3021 -109099.7729 299.8366 100.9264 140.6342 760696.2596 -6.1371 -6.3500 PRESSURE: 1903400 443.188 48.1751 -49.7174 48.1755 306.353 -15.3369 -49.719 -15.3368 -303.493 GPRESSURE: 1903400 556.179 56.6562 -84.7818 157.185 265.77 9.84055 15.4189 -19.9067 -286.308 PRESSAVG: 1903400 70.8456 -38.1217 12.5017 -38.1217 -9.60832 -15.5052 12.5016 -15.5052 24.0904 GPRESSAVG: 1903400 71.1523 -36.9624 12.7198 -38.3942 -10.6971 -15.8202 11.9091 -17.0827 24.3974 TIMING: 1903400 CPU: 6074.65, 0.00318852/step Wall: 6074.65, 0.00318851/step, 2.74265 hours remaining, 239.363281 MB of memory in use. ENERGY: 1903400 3923.3154 20437.6959 14558.0622 264.1622 -203909.6704 2862.2145 0.0000 0.0000 52319.4422 -109544.7780 300.6806 -161864.2202 -109171.2670 299.4715 148.6826 178.5469 760049.3338 28.4426 28.2842 PRESSURE: 1903600 -343.406 -120.579 -10.2172 -120.579 -100.749 -276.322 -10.217 -276.322 -92.6258 GPRESSURE: 1903600 -345.019 -114.725 -4.38555 -98.7456 -84.2168 -214.604 -85.511 -109.385 -24.802 PRESSAVG: 1903600 -4.97201 -21.7591 27.373 -21.7591 0.119409 -0.728854 27.373 -0.728928 -13.8509 GPRESSAVG: 1903600 -4.93685 -24.4277 28.2572 -22.4485 0.879065 -1.13116 27.4528 3.29552 -14.1851 TIMING: 1903600 CPU: 6075.29, 0.00316148/step Wall: 6075.29, 0.00316148/step, 2.71923 hours remaining, 239.363281 MB of memory in use. ENERGY: 1903600 3946.4362 20627.5925 14481.3762 252.5956 -203083.9600 2361.5754 0.0000 0.0000 51729.2296 -109685.1545 297.2886 -161414.3841 -109335.8777 298.9192 -178.9269 -151.3459 761805.4248 -6.2345 -6.0810 PRESSURE: 1903800 13.6653 -233.184 -94.5553 -233.184 67.5991 35.8305 -94.5552 35.8317 411.321 GPRESSURE: 1903800 61.1143 -125.02 -90.4701 -233.765 123.242 -63.6882 -201.337 -18.7221 395.374 PRESSAVG: 1903800 44.1798 -35.9926 -7.5384 -35.9925 -8.26993 5.86839 -7.53838 5.86839 24.3901 GPRESSAVG: 1903800 43.521 -34.8169 -8.52742 -35.252 -7.93215 7.24604 -9.33107 2.83922 25.0052 TIMING: 1903800 CPU: 6075.92, 0.00318599/step Wall: 6075.92, 0.00318599/step, 2.74013 hours remaining, 239.363281 MB of memory in use. ENERGY: 1903800 4006.0677 20537.9447 14475.4690 239.7995 -203750.6349 2771.5962 0.0000 0.0000 51893.8697 -109825.8881 298.2348 -161719.7578 -109472.8416 298.6636 164.1953 193.2434 761227.3277 20.1000 20.1980 PRESSURE: 1904000 -193.762 3.35542 -48.2184 3.35499 -67.4388 68.4327 -48.2183 68.4341 151.645 GPRESSURE: 1904000 -100.967 -17.4453 -44.7274 23.2069 -4.57588 86.7043 -36.8727 21.491 95.1201 PRESSAVG: 1904000 8.97015 -46.7527 3.91505 -46.7527 -19.2596 -29.3076 3.91499 -29.3076 2.73684 GPRESSAVG: 1904000 8.47358 -45.5272 6.15356 -47.76 -19.2204 -30.6689 3.81051 -28.9305 2.27894 TIMING: 1904000 CPU: 6076.56, 0.00318109/step Wall: 6076.56, 0.00318109/step, 2.73574 hours remaining, 239.363281 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: 1904000 4005.0609 20281.5542 14492.8159 232.5400 -203092.6811 2237.3880 0.0000 0.0000 52283.1598 -109560.1624 300.4720 -161843.3221 -109200.8956 298.5452 -36.5184 -3.4743 760860.0043 -2.5175 -2.8226 PRESSURE: 1904200 -173.362 -18.0827 31.7818 -18.082 212.367 -327.52 31.7821 -327.52 15.7422 GPRESSURE: 1904200 -168.393 -29.4899 28.4188 7.11486 226.347 -283.505 18.1723 -304.835 86.9092 PRESSAVG: 1904200 2.73277 17.2666 44.5553 17.2665 -53.6896 -27.9403 44.5553 -27.9403 23.287 GPRESSAVG: 1904200 4.83175 16.3415 44.7099 17.9138 -54.5954 -27.8467 46.4911 -26.6306 22.7257 TIMING: 1904200 CPU: 6077.2, 0.00318448/step Wall: 6077.2, 0.00318447/step, 2.73847 hours remaining, 239.363281 MB of memory in use. ENERGY: 1904200 4007.8620 20486.2426 14521.8883 245.6967 -203260.6426 2493.8310 0.0000 0.0000 51777.2014 -109727.9206 297.5643 -161505.1220 -109365.4190 299.1111 18.2490 48.2877 761414.8750 -9.2233 -9.0126 LDB: ============= START OF LOAD BALANCING ============== 6089.65 LDB: ============== END OF LOAD BALANCING =============== 6089.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6089.65 LDB: ============= START OF LOAD BALANCING ============== 6089.97 LDB: Largest compute 7070 load 0.037430 is 19.2% of average load 0.195110 LDB: Average compute 0.004405 is 2.3% of average load 0.195110 LDB: TIME 6089.98 LOAD: AVG 0.19511 MAX 0.21694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 6089.98 LOAD: AVG 0.19511 MAX 0.21694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: TIME 6089.98 LOAD: AVG 0.19511 MAX 0.21694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: ============== END OF LOAD BALANCING =============== 6089.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6089.99 PRESSURE: 1904400 68.5073 13.2022 -89.5876 13.2024 126.667 -262.259 -89.5885 -262.259 -56.5777 GPRESSURE: 1904400 116.202 -65.2915 33.6631 -25.3931 120.912 -189.615 -173.087 -295.292 -11.2515 PRESSAVG: 1904400 -4.46507 -31.7031 26.3661 -31.703 17.8646 -45.3851 26.3662 -45.3851 -33.2256 GPRESSAVG: 1904400 -6.06095 -32.3941 25.621 -32.7126 18.3147 -46.0788 27.3584 -46.488 -32.1561 TIMING: 1904400 CPU: 6077.85, 0.00327079/step Wall: 6077.85, 0.00327079/step, 2.81252 hours remaining, 239.894531 MB of memory in use. ENERGY: 1904400 4038.6899 20535.7501 14501.7208 258.3340 -203826.0195 2846.0973 0.0000 0.0000 52030.1187 -109615.3087 299.0178 -161645.4274 -109267.3788 299.0559 46.1989 75.2875 762304.8487 -6.6087 -6.6341 PRESSURE: 1904600 63.2516 -58.3594 8.21175 -58.3601 335.924 191.203 8.21209 191.205 421.821 GPRESSURE: 1904600 87.5557 -133.656 56.2118 -12.8562 407.816 213.868 -33.286 72.6102 421.609 PRESSAVG: 1904600 -20.8678 -13.3976 41.9075 -13.3976 44.0543 12.2248 41.9074 12.2247 25.1918 GPRESSAVG: 1904600 -21.5669 -14.0469 42.7478 -12.3572 44.8495 12.7004 38.8983 12.5558 24.8692 TIMING: 1904600 CPU: 6078.49, 0.00319212/step Wall: 6078.49, 0.00319212/step, 2.74469 hours remaining, 240.097656 MB of memory in use. ENERGY: 1904600 4006.3105 20415.5946 14485.7212 241.3083 -204061.8164 3288.9355 0.0000 0.0000 52011.9267 -109612.0196 298.9133 -161623.9463 -109254.9286 298.8992 273.6654 305.6603 762069.8498 16.1261 16.0506 PRESSURE: 1904800 -87.0949 40.3105 -148.567 40.3103 -78.6636 30.1293 -148.568 30.1292 -272.856 GPRESSURE: 1904800 -73.6271 131.811 -112.43 -27.073 -134.797 4.07027 -168.779 19.985 -141.792 PRESSAVG: 1904800 26.3982 29.6487 14.704 29.6487 -45.006 7.44357 14.7041 7.44349 -12.6219 GPRESSAVG: 1904800 26.9467 30.6204 15.7009 29.3513 -45.3768 7.23717 15.9543 7.81772 -12.5082 TIMING: 1904800 CPU: 6079.13, 0.00320831/step Wall: 6079.13, 0.00320831/step, 2.75843 hours remaining, 240.097656 MB of memory in use. ENERGY: 1904800 3935.1326 20326.1308 14506.5518 256.6708 -203032.0102 2428.6700 0.0000 0.0000 52194.3063 -109384.5479 299.9614 -161578.8542 -109016.2971 299.5268 -146.2047 -116.7384 763921.2138 -10.4099 -10.3128 PRESSURE: 1905000 -225.796 -0.58268 55.0283 -0.583369 -234.117 -41.7805 55.0278 -41.7804 -468.499 GPRESSURE: 1905000 -158.856 -72.3231 1.73854 3.30355 -200.975 -61.4679 31.2988 -18.2924 -469.314 PRESSAVG: 1905000 0.171318 -24.559 29.04 -24.559 -4.92869 49.699 29.04 49.6989 10.0541 GPRESSAVG: 1905000 0.118214 -25.1804 26.2541 -24.9447 -5.00307 50.1076 29.8636 50.8258 10.5426 TIMING: 1905000 CPU: 6079.77, 0.00321264/step Wall: 6079.77, 0.00321264/step, 2.76198 hours remaining, 240.097656 MB of memory in use. ENERGY: 1905000 4017.1915 20542.1191 14475.4866 255.3416 -202999.5781 2167.1743 0.0000 0.0000 52228.0181 -109314.2469 300.1551 -161542.2650 -108949.5426 299.5422 -309.4707 -276.3816 763328.7667 1.7656 1.8859 PRESSURE: 1905200 -37.4031 160.491 -126.663 160.492 219.991 313.687 -126.663 313.687 103.457 GPRESSURE: 1905200 13.6428 125.443 -81.9315 236.566 225.204 289.444 -35.9114 272.689 141.346 PRESSAVG: 1905200 5.578 24.828 -16.3766 24.8281 -8.18853 -33.8254 -16.3766 -33.8254 0.912622 GPRESSAVG: 1905200 4.62201 24.9934 -16.3729 26.6497 -7.68198 -33.4325 -17.4123 -33.72 1.21819 TIMING: 1905200 CPU: 6080.41, 0.00318734/step Wall: 6080.41, 0.00318734/step, 2.74005 hours remaining, 240.097656 MB of memory in use. ENERGY: 1905200 4035.6542 20411.3599 14468.2644 241.6876 -203585.0562 3018.9512 0.0000 0.0000 52133.7393 -109275.3996 299.6133 -161409.1389 -108908.8343 299.4025 95.3485 126.7308 761887.4544 -0.5660 -0.6139 PRESSURE: 1905400 -165.135 -29.7797 9.85399 -29.7791 -194.611 20.5691 9.85332 20.5681 283.738 GPRESSURE: 1905400 -96.2822 -54.5687 66.0741 -112.096 -168.694 15.1133 -107.933 -3.83156 281.388 PRESSAVG: 1905400 18.9066 7.74067 4.73563 7.74066 -4.78385 15.8506 4.73556 15.8506 2.75102 GPRESSAVG: 1905400 19.2767 7.88453 5.59299 7.45548 -4.58242 15.7075 6.47844 15.2802 2.31389 TIMING: 1905400 CPU: 6081.05, 0.00318008/step Wall: 6081.05, 0.00318008/step, 2.73363 hours remaining, 240.097656 MB of memory in use. ENERGY: 1905400 3924.9631 20355.7479 14510.6424 239.2186 -203390.8639 2594.0829 0.0000 0.0000 52187.4431 -109578.7660 299.9220 -161766.2091 -109206.8463 299.2431 -25.3360 5.4707 762024.7905 5.6246 5.6694 PRESSURE: 1905600 -79.0467 -58.0686 -61.6979 -58.0682 -109.986 -136.594 -61.6982 -136.594 -125.643 GPRESSURE: 1905600 -41.0993 13.6648 -22.2319 25.9385 -57.8782 -149.928 -196.907 -79.5403 -99.6016 PRESSAVG: 1905600 65.1693 29.5501 -6.56927 29.5501 -37.249 -35.775 -6.56929 -35.7751 -11.3213 GPRESSAVG: 1905600 66.1898 29.3953 -5.43343 28.235 -37.2239 -34.4049 -9.64971 -34.2769 -12.2242 TIMING: 1905600 CPU: 6081.68, 0.00318142/step Wall: 6081.68, 0.00318142/step, 2.7346 hours remaining, 240.097656 MB of memory in use. ENERGY: 1905600 3915.7160 20436.3076 14458.4371 240.5175 -202899.2935 2466.4953 0.0000 0.0000 51858.0152 -109523.8048 298.0287 -161381.8200 -109160.8121 298.7471 -104.8919 -66.1931 762170.3777 5.5330 5.5806 PRESSURE: 1905800 -37.2074 -90.0033 66.3664 -90.0029 -200.367 72.4566 66.3666 72.4562 -34.1172 GPRESSURE: 1905800 -30.9615 71.4473 7.72345 -66.658 -190.104 73.4006 138.941 77.678 56.1441 PRESSAVG: 1905800 40.0607 19.48 2.37977 19.48 -19.0813 23.0674 2.37977 23.0674 -29.0865 GPRESSAVG: 1905800 38.2474 20.7364 1.8727 19.3776 -18.7035 22.4606 1.68523 20.9328 -27.7947 TIMING: 1905800 CPU: 6082.32, 0.00318557/step Wall: 6082.32, 0.00318556/step, 2.73799 hours remaining, 240.097656 MB of memory in use. ENERGY: 1905800 3982.5371 20559.6789 14437.3939 262.9471 -203428.1563 2648.4187 0.0000 0.0000 52088.5292 -109448.6514 299.3535 -161537.1806 -109092.6075 298.4349 -90.5640 -54.9739 763289.1223 -2.7024 -2.7502 PRESSURE: 1906000 188.454 1.86185 -15.3023 1.86169 -197.456 -150.476 -15.3027 -150.477 94.4984 GPRESSURE: 1906000 224.914 -103.527 -42.9869 -68.8694 -124.343 -25.9445 -23.0487 -165.161 93.5388 PRESSAVG: 1906000 43.4451 -58.5352 14.4882 -58.5352 -10.0178 -12.9567 14.4882 -12.9567 9.82409 GPRESSAVG: 1906000 45.0017 -59.4995 13.5546 -58.7255 -11.2226 -13.0504 16.8022 -12.7914 9.35018 TIMING: 1906000 CPU: 6082.96, 0.00320809/step Wall: 6082.96, 0.00320809/step, 2.75717 hours remaining, 240.097656 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: 1906000 3924.4918 20329.7959 14461.8398 239.1937 -203175.5201 2557.7705 0.0000 0.0000 52040.2132 -109622.2152 299.0758 -161662.4283 -109248.8791 298.7549 28.4987 64.7033 761835.7919 14.4171 14.3764 PRESSURE: 1906200 92.5847 1.1615 -98.0883 1.16224 -192.915 242.149 -98.0883 242.148 -256.539 GPRESSURE: 1906200 106.687 -52.671 -112.658 129.713 -152.611 276.242 -253.701 158.757 -224.286 PRESSAVG: 1906200 -31.6027 -71.8154 -27.3672 -71.8154 39.0772 -20.7448 -27.3672 -20.7447 -3.03491 GPRESSAVG: 1906200 -32.5493 -71.4451 -26.8247 -69.1222 40.6595 -19.9994 -29.2274 -20.2054 -3.34178 TIMING: 1906200 CPU: 6083.6, 0.00320612/step Wall: 6083.6, 0.00320612/step, 2.7553 hours remaining, 240.097656 MB of memory in use. ENERGY: 1906200 3960.8867 20431.4843 14544.2155 239.8469 -203339.9869 2553.4215 0.0000 0.0000 52046.5180 -109563.6138 299.1121 -161610.1319 -109201.9819 298.7050 -118.9563 -90.0699 763368.0336 1.4799 1.5895 PRESSURE: 1906400 -57.4776 -128.456 -36.5134 -128.456 110.502 56.1213 -36.5135 56.1211 -116.242 GPRESSURE: 1906400 -15.4616 -10.0007 -45.1032 -171.536 149.699 12.3388 -1.89811 -10.582 -120.034 PRESSAVG: 1906400 -9.35677 -41.7818 -14.4168 -41.7818 -6.74763 -10.047 -14.4167 -10.047 -12.7309 GPRESSAVG: 1906400 -8.32704 -40.3704 -14.1333 -43.8181 -7.72488 -10.6156 -12.7663 -10.5691 -12.7411 TIMING: 1906400 CPU: 6084.24, 0.00319466/step Wall: 6084.24, 0.00319466/step, 2.74528 hours remaining, 240.097656 MB of memory in use. ENERGY: 1906400 3949.7716 20523.4631 14455.2785 240.2213 -203038.2377 2295.8110 0.0000 0.0000 51871.6690 -109702.0233 298.1072 -161573.6923 -109340.3349 298.5837 -21.0727 4.7345 762364.7733 -9.6118 -9.5977 PRESSURE: 1906600 40.2001 28.3014 54.4459 28.3011 226.469 -16.5305 54.446 -16.5294 395.765 GPRESSURE: 1906600 63.0514 -32.9675 49.1836 2.5599 276.192 -19.6125 -23.1679 -71.0493 416.537 PRESSAVG: 1906600 -32.8667 -64.3284 -49.5192 -64.3284 11.2245 -49.5034 -49.5191 -49.5034 27.2041 GPRESSAVG: 1906600 -34.9028 -64.8654 -48.9909 -64.2414 12.0283 -50.8013 -51.3098 -48.3364 27.6954 TIMING: 1906600 CPU: 6084.88, 0.00318982/step Wall: 6084.88, 0.00318982/step, 2.74094 hours remaining, 240.097656 MB of memory in use. ENERGY: 1906600 3865.8557 20311.5839 14553.0045 226.0367 -203444.1527 2786.3888 0.0000 0.0000 52062.1780 -109639.1050 299.2021 -161701.2830 -109269.1890 298.5204 220.8114 251.9269 761301.6436 1.8540 1.6070 PRESSURE: 1906800 -241.391 -27.2804 31.3507 -27.2802 -294.31 126.493 31.3503 126.493 33.8634 GPRESSURE: 1906800 -231.194 13.0144 50.9502 -42.5726 -273.994 80.5818 -42.5105 34.7179 90.6508 PRESSAVG: 1906800 -36.8041 -1.7702 -39.3636 -1.77019 8.1529 47.2124 -39.3636 47.2123 15.3184 GPRESSAVG: 1906800 -35.2319 -2.83352 -40.1992 -2.01472 7.08188 47.3596 -38.1113 44.8958 14.7568 TIMING: 1906800 CPU: 6085.52, 0.00321053/step Wall: 6085.52, 0.00321053/step, 2.75855 hours remaining, 240.097656 MB of memory in use. ENERGY: 1906800 3962.8090 20427.7056 14545.3228 248.5654 -202621.3952 2261.1064 0.0000 0.0000 51974.8351 -109201.0509 298.7001 -161175.8860 -108839.6585 299.4360 -167.2791 -138.1792 762924.3441 -4.4443 -4.4644 PRESSURE: 1907000 374.288 -159.617 -67.8494 -159.617 -131.23 -68.71 -67.8499 -68.7108 42.7574 GPRESSURE: 1907000 290.499 -190.07 11.9511 -114.213 -31.62 -51.6586 -55.0344 -57.5568 103.652 PRESSAVG: 1907000 27.4659 -36.2221 45.0901 -36.2222 24.0427 55.0531 45.0902 55.0532 4.697 GPRESSAVG: 1907000 26.3573 -37.127 46.2247 -35.2873 24.9124 55.4362 45.5161 57.3168 4.36561 TIMING: 1907000 CPU: 6086.16, 0.00318729/step Wall: 6086.16, 0.00318729/step, 2.73841 hours remaining, 240.097656 MB of memory in use. ENERGY: 1907000 3913.1898 20379.0258 14474.4327 236.5676 -202838.6664 2313.5330 0.0000 0.0000 52317.2081 -109204.7093 300.6677 -161521.9175 -108837.8792 300.0650 95.2720 120.8438 761070.7844 18.7352 18.5451 PRESSURE: 1907200 -78.7156 124.514 -165.039 124.514 277.484 37.5381 -165.04 37.537 -70.6987 GPRESSURE: 1907200 -65.6933 20.5275 -133.361 95.6682 252.834 -14.0632 -173.122 40.6018 32.7569 PRESSAVG: 1907200 -62.9733 -44.4155 -20.0225 -44.4155 11.0004 -0.906789 -20.0225 -0.906883 16.0503 GPRESSAVG: 1907200 -62.2281 -42.2534 -21.6546 -46.0473 9.94415 -1.4017 -21.2096 -0.696363 16.8078 TIMING: 1907200 CPU: 6086.79, 0.0031798/step Wall: 6086.79, 0.0031798/step, 2.7318 hours remaining, 240.097656 MB of memory in use. ENERGY: 1907200 3989.5776 20463.4129 14545.9751 241.9713 -203280.2677 2541.3672 0.0000 0.0000 52120.9059 -109377.0576 299.5396 -161497.9635 -109017.8839 299.1541 42.6899 73.2992 761752.6361 -11.9742 -11.8254 PRESSURE: 1907400 -44.7158 180.46 -188.044 180.46 -233.223 129.894 -188.045 129.893 -179.317 GPRESSURE: 1907400 -56.7871 300.53 -161.868 124.63 -134.507 148.04 -172.548 185.575 -186.687 PRESSAVG: 1907400 5.13609 -18.7838 -14.9426 -18.7837 -12.9727 -25.4815 -14.9427 -25.4815 31.262 GPRESSAVG: 1907400 3.80651 -20.3818 -13.7133 -18.844 -12.57 -25.1021 -14.6598 -27.898 32.1336 TIMING: 1907400 CPU: 6087.43, 0.00318934/step Wall: 6087.43, 0.00318934/step, 2.73982 hours remaining, 240.097656 MB of memory in use. ENERGY: 1907400 4016.3432 20370.0081 14517.2706 259.7632 -203664.0449 2977.7610 0.0000 0.0000 52052.0370 -109470.8619 299.1438 -161522.8989 -109108.1190 299.2486 -152.4188 -125.9939 762688.7882 7.8085 7.7900 PRESSURE: 1907600 -164.887 21.6205 -95.9697 21.6203 -148.427 -97.7513 -95.9705 -97.7518 -415.196 GPRESSURE: 1907600 -152.46 -7.14293 -143.045 -48.1603 -73.3938 -61.088 -129.292 -108.206 -437.915 PRESSAVG: 1907600 -7.81133 -41.2064 -29.2576 -41.2065 23.4288 -6.80401 -29.2576 -6.80399 8.74864 GPRESSAVG: 1907600 -6.21748 -41.8455 -30.0444 -41.2057 23.3197 -6.24467 -26.6145 -4.7658 7.54543 TIMING: 1907600 CPU: 6088.07, 0.00320602/step Wall: 6088.07, 0.00320602/step, 2.75397 hours remaining, 240.097656 MB of memory in use. ENERGY: 1907600 3978.2526 20593.4048 14422.7575 252.4274 -202937.9193 2289.6711 0.0000 0.0000 51975.7015 -109425.7044 298.7051 -161401.4058 -109065.6043 299.0212 -242.8370 -221.2560 763056.4507 8.1220 8.2159 PRESSURE: 1907800 115.466 -76.9381 -131.198 -76.9368 -23.9134 19.1468 -131.197 19.1471 80.1944 GPRESSURE: 1907800 108.174 58.5485 -191.834 -129.392 39.1413 -17.6676 -108.276 16.3146 95.5151 PRESSAVG: 1907800 -66.6608 -72.9976 -14.3241 -72.9976 38.1751 48.4072 -14.3241 48.4072 -18.4373 GPRESSAVG: 1907800 -66.984 -73.4637 -13.3965 -70.676 37.7626 48.1611 -14.4403 48.6793 -18.0544 TIMING: 1907800 CPU: 6088.71, 0.00319946/step Wall: 6088.71, 0.00319946/step, 2.74816 hours remaining, 240.097656 MB of memory in use. ENERGY: 1907800 4043.1004 20415.6649 14489.7890 234.9079 -203006.2580 2703.7660 0.0000 0.0000 51803.2175 -109315.8123 297.7138 -161119.0298 -108967.8728 299.1260 57.2490 80.9433 762257.6238 -15.6410 -15.7586 PRESSURE: 1908000 -182.083 -117.333 -87.806 -117.333 -105.117 62.2789 -87.8059 62.2791 -104.488 GPRESSURE: 1908000 -175.156 -38.9371 -48.2334 -73.8391 -3.82395 59.3971 -185.223 122.944 -98.3566 PRESSAVG: 1908000 -12.724 -82.5213 9.20091 -82.5213 17.1876 -2.38175 9.20099 -2.38182 15.1555 GPRESSAVG: 1908000 -12.4016 -81.4349 7.86449 -82.5812 17.2944 0.0346874 8.70058 -3.49681 14.9157 TIMING: 1908000 CPU: 6089.35, 0.00317647/step Wall: 6089.35, 0.00317647/step, 2.72824 hours remaining, 240.097656 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: 1908000 3984.3776 20225.5774 14474.9758 241.1850 -203058.9183 2728.9651 0.0000 0.0000 52004.6160 -109399.2215 298.8712 -161403.8376 -109033.9065 298.5817 -130.5625 -92.4456 762849.2523 6.5397 6.6029 PRESSURE: 1908200 -223.653 -19.1279 -0.173433 -19.1276 -75.8777 196.915 -0.174038 196.916 404.163 GPRESSURE: 1908200 -124.144 -75.8444 -30.3114 40.9555 -30.4746 80.1559 73.1278 247.946 342.62 PRESSAVG: 1908200 -23.743 -42.805 -9.91238 -42.8049 46.521 12.4707 -9.91237 12.4707 -19.2146 GPRESSAVG: 1908200 -24.1866 -41.2469 -8.92694 -45.4972 48.1452 11.8737 -10.2733 11.876 -19.8419 TIMING: 1908200 CPU: 6089.98, 0.00317114/step Wall: 6089.98, 0.00317113/step, 2.72348 hours remaining, 240.097656 MB of memory in use. ENERGY: 1908200 3973.2954 20449.2548 14423.8167 242.7812 -203703.2727 2814.2254 0.0000 0.0000 52358.8307 -109441.0686 300.9069 -161799.8993 -109077.4465 299.5077 34.8774 62.6673 762049.1507 1.1878 1.3722 LDB: ============= START OF LOAD BALANCING ============== 6102.43 LDB: ============== END OF LOAD BALANCING =============== 6102.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6102.44 LDB: ============= START OF LOAD BALANCING ============== 6102.76 LDB: Largest compute 7072 load 0.035618 is 18.3% of average load 0.195159 LDB: Average compute 0.004402 is 2.3% of average load 0.195159 LDB: TIME 6102.76 LOAD: AVG 0.195159 MAX 0.215028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 6102.76 LOAD: AVG 0.195159 MAX 0.215028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 6102.76 LOAD: AVG 0.195159 MAX 0.215028 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 6102.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6102.77 PRESSURE: 1908400 -431.878 13.4088 255.696 13.4087 -216.629 115.909 255.696 115.909 -259.923 GPRESSURE: 1908400 -439.861 -37.1866 216.582 60.2981 -154.072 98.268 163.549 94.5821 -207.25 PRESSAVG: 1908400 75.0139 -5.25559 9.28128 -5.25564 -30.2795 32.7699 9.28128 32.77 0.951647 GPRESSAVG: 1908400 75.6521 -7.97731 8.60684 -2.85303 -31.385 29.3897 9.69741 35.609 1.64857 TIMING: 1908400 CPU: 6090.63, 0.00323929/step Wall: 6090.63, 0.00323929/step, 2.78183 hours remaining, 240.347656 MB of memory in use. ENERGY: 1908400 3966.6800 20329.3210 14432.8676 257.0718 -202832.8840 2247.0093 0.0000 0.0000 52131.1951 -109468.7392 299.5987 -161599.9343 -109097.6965 299.3053 -302.8100 -267.0608 762843.5439 15.2287 15.3052 PRESSURE: 1908600 34.126 67.1332 -216.569 67.1325 134.044 -125.619 -216.57 -125.619 -51.7786 GPRESSURE: 1908600 93.7786 18.6645 -179.49 65.0036 131.443 -95.3304 -207.717 -51.3295 -24.4478 PRESSAVG: 1908600 10.5196 -6.58895 20.1127 -6.58885 6.64275 -26.7018 20.1127 -26.7018 -23.8976 GPRESSAVG: 1908600 9.57803 -4.28418 20.8731 -8.55358 7.57749 -25.6579 16.3334 -26.4102 -23.7027 TIMING: 1908600 CPU: 6091.27, 0.00321155/step Wall: 6091.27, 0.00321155/step, 2.75783 hours remaining, 240.347656 MB of memory in use. ENERGY: 1908600 3957.3518 20455.3522 14416.7242 234.2875 -203135.5340 2459.5470 0.0000 0.0000 52099.8203 -109512.4510 299.4184 -161612.2713 -109144.8141 299.2776 38.7971 66.9245 761532.6308 -2.2451 -2.1824 PRESSURE: 1908800 -197.469 -25.0273 43.5483 -25.0274 -168.246 143.346 43.5476 143.347 138.676 GPRESSURE: 1908800 -107.236 -45.5265 62.7339 -98.8034 -198.639 165.791 -60.7103 100.934 170.442 PRESSAVG: 1908800 -0.33383 -43.408 23.7715 -43.408 23.5669 18.709 23.7715 18.7089 -5.83687 GPRESSAVG: 1908800 0.44675 -44.8826 21.9502 -42.779 22.137 19.7516 27.3992 19.4588 -4.92622 TIMING: 1908800 CPU: 6091.91, 0.00317936/step Wall: 6091.91, 0.00317936/step, 2.73001 hours remaining, 240.792969 MB of memory in use. ENERGY: 1908800 3964.2058 20534.4005 14340.3494 239.4468 -203373.2436 2521.2807 0.0000 0.0000 52404.7638 -109368.7966 301.1709 -161773.5605 -108999.7135 299.3837 -75.6795 -45.1445 761577.9244 5.7987 5.8859 PRESSURE: 1909000 -185.944 -40.8336 -26.9155 -40.8335 -4.89281 254.508 -26.9163 254.509 33.5184 GPRESSURE: 1909000 -137.121 -126.934 93.833 -17.7719 89.2312 186.556 114.722 195.833 -22.2841 PRESSAVG: 1909000 23.0245 -36.5976 12.8498 -36.5975 -21.6303 6.29174 12.8498 6.29173 16.6597 GPRESSAVG: 1909000 23.3587 -34.9559 14.5999 -39.2581 -21.3972 8.93838 11.5359 4.26331 16.008 TIMING: 1909000 CPU: 6092.55, 0.00319339/step Wall: 6092.55, 0.00319339/step, 2.74188 hours remaining, 240.792969 MB of memory in use. ENERGY: 1909000 3995.8195 20291.2260 14475.8274 232.2183 -202837.5607 2649.3336 0.0000 0.0000 51810.1325 -109383.0034 297.7535 -161193.1359 -109013.4525 298.9772 -52.4393 -23.3912 764751.3850 6.0180 5.9898 PRESSURE: 1909200 -260.089 116.088 53.7229 116.088 175.065 118.498 53.7223 118.497 194.564 GPRESSURE: 1909200 -201.57 4.4733 28.391 70.7827 239.971 168.092 96.7994 150.345 175.92 PRESSAVG: 1909200 40.9539 -27.8366 10.8224 -27.8366 -33.4334 57.9864 10.8224 57.9863 -2.69212 GPRESSAVG: 1909200 40.5932 -31.2565 10.3809 -23.3524 -32.3103 53.8616 10.6173 59.0749 -2.8541 TIMING: 1909200 CPU: 6093.19, 0.00320404/step Wall: 6093.19, 0.00320404/step, 2.75084 hours remaining, 240.792969 MB of memory in use. ENERGY: 1909200 4037.1073 20534.2148 14433.9695 248.5668 -203140.8013 2762.5896 0.0000 0.0000 51895.5816 -109228.7717 298.2446 -161124.3533 -108880.6378 299.1713 36.5135 71.4403 762082.0502 1.6095 1.8096 PRESSURE: 1909400 53.3823 19.8428 -16.0778 19.8432 269.588 68.7847 -16.0775 68.7843 104.39 GPRESSURE: 1909400 104.59 17.3311 29.446 -29.9195 303.115 78.7628 -55.8545 99.1406 107.686 PRESSAVG: 1909400 -27.1349 -30.4541 -16.7889 -30.4541 50.238 4.31654 -16.7889 4.31656 -29.9916 GPRESSAVG: 1909400 -26.4967 -28.987 -15.6979 -32.565 49.9052 3.90046 -16.6143 4.93653 -29.9037 TIMING: 1909400 CPU: 6093.83, 0.00319925/step Wall: 6093.83, 0.00319925/step, 2.74655 hours remaining, 240.792969 MB of memory in use. ENERGY: 1909400 3994.4314 20438.3178 14446.9835 240.6424 -203142.2579 2640.0411 0.0000 0.0000 52180.2179 -109201.6238 299.8804 -161381.8417 -108838.8753 299.1455 142.4532 171.7972 762320.6850 -2.2962 -2.1651 PRESSURE: 1909600 57.1192 -79.7607 94.6746 -79.7612 -189.411 19.9343 94.6745 19.9338 -248.636 GPRESSURE: 1909600 11.872 -187.321 107.818 -152.602 -83.7869 34.1001 31.0213 -23.0887 -230.993 PRESSAVG: 1909600 2.44602 -40.5893 13.6293 -40.5893 -29.2637 7.02364 13.6293 7.02366 -3.1541 GPRESSAVG: 1909600 1.21613 -39.7788 10.9121 -40.2026 -28.9617 6.6055 14.4932 6.69854 -1.88976 TIMING: 1909600 CPU: 6094.47, 0.00320432/step Wall: 6094.47, 0.00320432/step, 2.75073 hours remaining, 240.792969 MB of memory in use. ENERGY: 1909600 3998.3907 20557.4761 14416.5184 255.9981 -203186.1311 2464.4422 0.0000 0.0000 52133.4367 -109359.8690 299.6116 -161493.3057 -108992.6036 299.3939 -126.9760 -100.9694 762062.2785 -9.9906 -9.8784 PRESSURE: 1909800 -262.591 -197.096 8.06269 -197.097 -255.991 115.955 8.06291 115.956 -525.018 GPRESSURE: 1909800 -197.748 -215.137 -71.3133 -239.407 -241.075 116.596 83.5321 120.619 -519.432 PRESSAVG: 1909800 14.9041 -27.5652 -50.0079 -27.5652 -53.4759 33.4558 -50.0079 33.4558 8.89915 GPRESSAVG: 1909800 16.3418 -26.7082 -48.7599 -28.2167 -53.5159 35.8077 -49.3142 32.1896 7.58776 TIMING: 1909800 CPU: 6095.11, 0.00319862/step Wall: 6095.11, 0.00319862/step, 2.74566 hours remaining, 240.792969 MB of memory in use. ENERGY: 1909800 3928.4771 20460.5300 14469.4752 238.3627 -202786.6762 2222.8698 0.0000 0.0000 52161.5983 -109305.3630 299.7734 -161466.9613 -108937.6301 299.2285 -347.8664 -319.4184 761090.5291 -9.8909 -9.8621 PRESSURE: 1910000 -140.972 -7.52553 -38.8263 -7.52501 136.744 24.5255 -38.8263 24.525 -178.544 GPRESSURE: 1910000 -58.042 -4.03214 -84.8194 -9.26861 196.904 -0.284681 -98.2877 89.8786 -220.806 PRESSAVG: 1910000 33.4472 -60.8016 -34.1419 -60.8015 -38.0289 -8.09202 -34.1419 -8.09201 12.5454 GPRESSAVG: 1910000 33.119 -61.2668 -32.6145 -58.7939 -37.9483 -8.80314 -34.589 -4.70379 13.2117 TIMING: 1910000 CPU: 6095.75, 0.00320438/step Wall: 6095.75, 0.00320438/step, 2.75042 hours remaining, 240.792969 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: 1910000 3941.6792 20556.2081 14413.7263 227.0638 -203122.8912 2561.0977 0.0000 0.0000 52098.9024 -109324.2137 299.4131 -161423.1161 -108968.1734 299.2451 -60.9239 -27.3147 760946.0561 2.6546 2.7941 PRESSURE: 1910200 189.783 -150.014 46.1156 -150.015 -107.837 -127.109 46.1157 -127.107 351.928 GPRESSURE: 1910200 250.418 -153.02 -19.5949 -94.6689 -88.5652 -124.83 12.5575 1.28654 345.338 PRESSAVG: 1910200 34.4226 -18.6798 30.8855 -18.6798 5.91287 -4.98663 30.8854 -4.9866 -21.2477 GPRESSAVG: 1910200 34.6156 -18.1912 30.2772 -19.1666 6.4277 -4.56001 32.2457 -8.41818 -21.9292 TIMING: 1910200 CPU: 6096.39, 0.00318853/step Wall: 6096.39, 0.00318853/step, 2.73664 hours remaining, 240.792969 MB of memory in use. ENERGY: 1910200 3986.3218 20548.7715 14440.3686 257.2319 -203094.9004 2683.1563 0.0000 0.0000 52016.3521 -109162.6981 298.9387 -161179.0502 -108798.7477 299.6398 144.6249 169.0636 760974.7562 6.3626 6.3714 PRESSURE: 1910400 -270.36 174.28 -122.344 174.279 -174.844 104.227 -122.345 104.227 -119.516 GPRESSURE: 1910400 -254.839 155.239 -113.408 20.3585 -75.2368 125.748 -124.126 33.0531 -146.562 PRESSAVG: 1910400 26.3618 34.8 -63.4337 34.8 -28.6283 28.5479 -63.4337 28.5479 -7.13278 GPRESSAVG: 1910400 25.9295 34.3396 -64.6226 34.3494 -28.805 27.7863 -66.3736 31.2452 -6.72593 TIMING: 1910400 CPU: 6097.03, 0.00320696/step Wall: 6097.03, 0.00320696/step, 2.75228 hours remaining, 240.792969 MB of memory in use. ENERGY: 1910400 4059.5463 20268.1555 14454.1625 246.5571 -202968.1810 2655.0976 0.0000 0.0000 51974.3568 -109310.3051 298.6973 -161284.6620 -108946.1947 299.9475 -188.2399 -158.8792 761872.3910 -3.1331 -3.2005 PRESSURE: 1910600 50.8477 0.397601 39.0373 0.398059 263.374 60.5811 39.0372 60.5809 82.1853 GPRESSURE: 1910600 -1.93776 0.335751 -46.7568 42.3401 378.7 113.513 -25.0089 -24.6789 101.374 PRESSAVG: 1910600 -7.55367 -3.68749 -18.5412 -3.68749 25.7815 -23.7685 -18.5412 -23.7684 -3.70142 GPRESSAVG: 1910600 -6.05116 -1.77784 -17.1883 -2.64059 24.6284 -22.7824 -17.7047 -25.6976 -4.01424 TIMING: 1910600 CPU: 6097.67, 0.00319946/step Wall: 6097.67, 0.00319946/step, 2.74567 hours remaining, 240.792969 MB of memory in use. ENERGY: 1910600 3960.5546 20468.4501 14457.1223 251.3014 -203167.7316 2580.8280 0.0000 0.0000 52257.8026 -109191.6726 300.3263 -161449.4751 -108831.8726 299.5394 132.1358 159.3787 760004.0421 4.8421 4.8543 PRESSURE: 1910800 -233.692 64.4604 239.197 64.4596 -61.7033 14.3614 239.197 14.3604 266.805 GPRESSURE: 1910800 -85.3659 26.8271 205.924 -82.5349 -120.062 15.5532 256.478 4.07934 248.428 PRESSAVG: 1910800 79.0071 -5.65178 11.7311 -5.65181 -79.3963 -2.94545 11.7311 -2.94549 6.73645 GPRESSAVG: 1910800 78.4693 -6.1636 10.701 -6.83562 -79.6094 -3.70097 12.9555 -3.11385 7.48582 TIMING: 1910800 CPU: 6098.31, 0.00320778/step Wall: 6098.31, 0.00320778/step, 2.75263 hours remaining, 240.792969 MB of memory in use. ENERGY: 1910800 3957.4510 20587.7262 14440.2089 257.7205 -202886.9415 2372.9613 0.0000 0.0000 52000.2941 -109270.5795 298.8464 -161270.8735 -108906.6585 299.2786 -9.5299 14.3335 761554.3973 2.1158 2.1152 PRESSURE: 1911000 42.1018 73.7383 71.2628 73.738 -195.96 49.7774 71.2637 49.7776 193.54 GPRESSURE: 1911000 84.1473 133.567 88.2147 203.674 -47.4699 85.6773 46.3395 66.132 85.7358 PRESSAVG: 1911000 36.583 -15.3149 -24.0685 -15.3148 -50.8648 -15.6181 -24.0686 -15.6182 0.501774 GPRESSAVG: 1911000 35.078 -16.7497 -23.238 -13.842 -49.0771 -14.6104 -22.8909 -14.1166 -0.173832 TIMING: 1911000 CPU: 6098.95, 0.00320163/step Wall: 6098.95, 0.00320163/step, 2.74717 hours remaining, 240.792969 MB of memory in use. ENERGY: 1911000 4026.3844 20526.8443 14513.8402 240.1768 -202998.7285 2488.2797 0.0000 0.0000 52001.6703 -109201.5328 298.8543 -161203.2031 -108842.8010 299.4071 13.2272 40.8044 761763.5307 -4.5933 -4.7243 PRESSURE: 1911200 -293.492 -163.924 184.684 -163.924 -111.461 118.046 184.684 118.046 -348.544 GPRESSURE: 1911200 -301.298 -51.1706 24.577 -173.761 -34.0098 35.6698 248.963 76.3857 -333.576 PRESSAVG: 1911200 43.6062 19.337 0.639449 19.3371 -47.6487 41.5047 0.639449 41.5046 -7.18587 GPRESSAVG: 1911200 43.8857 20.1461 -0.627314 16.8882 -48.831 41.8902 -3.62504 38.2283 -6.52725 TIMING: 1911200 CPU: 6099.59, 0.00319316/step Wall: 6099.59, 0.00319316/step, 2.73973 hours remaining, 240.792969 MB of memory in use. ENERGY: 1911200 4065.6062 20653.6272 14441.8470 237.3547 -202851.8109 2356.9787 0.0000 0.0000 51964.8730 -109131.5242 298.6428 -161096.3971 -108779.1100 300.0970 -251.1656 -222.9610 761380.7243 -3.7428 -3.8242 PRESSURE: 1911400 240.543 -8.17519 231.87 -8.1751 114.996 -179.683 231.869 -179.683 -255.62 GPRESSURE: 1911400 310.751 -45.4409 105.248 -54.3879 176.348 -220.097 268.35 -151.782 -294.341 PRESSAVG: 1911400 10.8082 -16.2618 -17.7549 -16.2618 -30.2634 13.0755 -17.755 13.0755 -2.14171 GPRESSAVG: 1911400 10.1264 -16.3965 -14.3544 -14.2123 -29.6595 12.5628 -16.3116 15.5157 -2.2674 TIMING: 1911400 CPU: 6100.23, 0.00318889/step Wall: 6100.23, 0.00318889/step, 2.73589 hours remaining, 240.792969 MB of memory in use. ENERGY: 1911400 4040.3319 20576.3057 14467.8637 256.2362 -203296.0311 2736.7640 0.0000 0.0000 52139.5058 -109079.0238 299.6465 -161218.5296 -108729.5428 299.8755 33.3063 64.2528 762747.2769 -7.1990 -7.2669 PRESSURE: 1911600 -247.174 -210.273 212.796 -210.274 -40.2504 -84.0943 212.797 -84.0941 429.336 GPRESSURE: 1911600 -202.993 -180.706 228.335 -302.224 37.0282 -75.1089 152.424 -147.747 391.171 PRESSAVG: 1911600 32.0583 -13.0686 -15.2075 -13.0685 -61.2534 -9.79172 -15.2075 -9.79176 10.1825 GPRESSAVG: 1911600 33.2638 -12.6444 -17.9065 -14.9579 -61.7241 -8.81309 -13.6171 -9.85945 8.77633 TIMING: 1911600 CPU: 6100.86, 0.0031634/step Wall: 6100.86, 0.0031634/step, 2.71384 hours remaining, 240.792969 MB of memory in use. ENERGY: 1911600 3919.3725 20523.8836 14512.0647 238.2311 -203456.4217 2763.0925 0.0000 0.0000 52154.8849 -109344.8924 299.7348 -161499.7773 -108982.7724 299.5320 47.3038 75.0686 761119.1020 -6.3375 -6.5613 PRESSURE: 1911800 -151.131 1.75059 62.4 1.74978 298.262 -30.5514 62.3993 -30.551 -294.829 GPRESSURE: 1911800 -97.3561 91.8127 65.6712 -18.5178 234.296 16.1181 -13.6377 30.1076 -201.692 PRESSAVG: 1911800 18.9595 10.5075 39.0773 10.5075 -5.62192 -31.4744 39.0772 -31.4744 10.6648 GPRESSAVG: 1911800 18.8094 9.53175 39.6702 11.9633 -6.23102 -33.2878 38.5134 -30.6729 11.6016 TIMING: 1911800 CPU: 6101.5, 0.00318564/step Wall: 6101.5, 0.00318564/step, 2.73275 hours remaining, 240.792969 MB of memory in use. ENERGY: 1911800 4002.9470 20408.5906 14507.3550 237.1225 -203451.9747 2699.0366 0.0000 0.0000 52363.3326 -109233.5903 300.9328 -161596.9230 -108869.3625 299.2282 -49.2328 -21.5841 762927.4754 8.0008 8.0600 PRESSURE: 1912000 287.756 206.669 -215.628 206.669 237.101 -175.008 -215.627 -175.008 -87.0106 GPRESSURE: 1912000 278.271 202.646 -205.079 134.002 275.19 -113.48 -153.319 -189.812 -36.7257 PRESSAVG: 1912000 44.4816 32.7487 -6.86811 32.7487 -52.1952 13.1225 -6.86815 13.1226 -7.00558 GPRESSAVG: 1912000 43.4035 34.22 -6.62146 31.1455 -52.0727 14.8795 -6.93119 13.4102 -6.6718 TIMING: 1912000 CPU: 6102.15, 0.00324274/step Wall: 6102.15, 0.00324274/step, 2.78155 hours remaining, 240.792969 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: 1912000 3950.7068 20423.1455 14437.3869 254.5384 -203336.3682 2629.2245 0.0000 0.0000 52180.9687 -109460.3973 299.8847 -161641.3660 -109092.4692 299.3649 145.9487 172.2452 762196.5925 -4.9064 -5.1137 PRESSURE: 1912200 352.593 35.2705 -66.3378 35.2702 -183.184 65.8955 -66.3381 65.8951 351.2 GPRESSURE: 1912200 395.902 55.755 -67.8756 38.4896 -105.336 -1.58978 -192.467 -45.3725 328.353 PRESSAVG: 1912200 14.0719 -0.432375 -2.65373 -0.432303 -5.75637 20.5536 -2.65373 20.5536 10.2367 GPRESSAVG: 1912200 14.5394 -0.503951 -2.66868 -0.170072 -5.86706 20.2828 -4.25341 18.2251 9.99723 TIMING: 1912200 CPU: 6102.78, 0.00318893/step Wall: 6102.78, 0.00318893/step, 2.73522 hours remaining, 240.792969 MB of memory in use. ENERGY: 1912200 3983.2974 20403.7798 14407.1788 244.4908 -203428.8285 2640.8690 0.0000 0.0000 52178.6874 -109570.5253 299.8716 -161749.2127 -109201.5473 299.1198 173.5365 206.3064 760020.2603 6.1841 6.2232 LDB: ============= START OF LOAD BALANCING ============== 6115.24 LDB: ============== END OF LOAD BALANCING =============== 6115.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6115.24 LDB: ============= START OF LOAD BALANCING ============== 6115.57 LDB: Largest compute 7070 load 0.037479 is 19.2% of average load 0.195195 LDB: Average compute 0.004391 is 2.2% of average load 0.195195 LDB: TIME 6115.57 LOAD: AVG 0.195195 MAX 0.215284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.586 MB LDB: TIME 6115.57 LOAD: AVG 0.195195 MAX 0.215284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.586 MB LDB: TIME 6115.57 LOAD: AVG 0.195195 MAX 0.215284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.586 MB LDB: ============== END OF LOAD BALANCING =============== 6115.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6115.58 PRESSURE: 1912400 -261.43 270.169 426.932 270.168 188.765 126.347 426.932 126.346 120.596 GPRESSURE: 1912400 -139.985 309.195 373.355 277.022 146.278 93.1408 299.951 143.165 124.729 PRESSAVG: 1912400 -9.4151 30.6821 -4.96035 30.6821 -35.3714 -9.62815 -4.96044 -9.62818 7.14878 GPRESSAVG: 1912400 -9.20763 28.8452 -4.80265 32.1412 -35.6804 -11.1585 -3.5587 -6.37158 6.84868 TIMING: 1912400 CPU: 6103.44, 0.00328796/step Wall: 6103.44, 0.00328796/step, 2.81997 hours remaining, 240.039062 MB of memory in use. ENERGY: 1912400 3965.3943 20519.7611 14476.0783 232.7148 -203596.1875 2770.5808 0.0000 0.0000 52015.6295 -109616.0286 298.9345 -161631.6582 -109263.4332 298.6063 15.9771 43.6738 761231.4991 -12.5459 -12.6798 PRESSURE: 1912600 -111.493 -127.907 -173.977 -127.907 31.6078 73.9523 -173.978 73.952 -120.168 GPRESSURE: 1912600 -79.3105 -79.3958 -143.621 -160.657 75.9468 25.3284 -219.794 157.16 -130.058 PRESSAVG: 1912600 1.30718 35.0692 -40.3544 35.0691 -33.8009 -10.7206 -40.3544 -10.7206 -0.981456 GPRESSAVG: 1912600 0.3631 38.5502 -42.339 33.8214 -33.1586 -11.6378 -41.6691 -10.7586 -0.980538 TIMING: 1912600 CPU: 6104.08, 0.00319769/step Wall: 6104.08, 0.00319769/step, 2.74238 hours remaining, 240.039062 MB of memory in use. ENERGY: 1912600 3936.6801 20476.2442 14403.2879 255.6625 -203269.7039 2480.6975 0.0000 0.0000 52046.2312 -109670.9005 299.1104 -161717.1317 -109299.7931 298.7303 -66.6844 -44.4740 761264.8871 -11.1584 -11.2587 PRESSURE: 1912800 33.3725 142.217 -75.9207 142.216 273.821 122.259 -75.9203 122.258 304.354 GPRESSURE: 1912800 75.2592 9.08713 -166.345 111.825 332.9 195.172 -100.118 223.683 286.065 PRESSAVG: 1912800 3.63688 -41.2378 -68.8698 -41.2377 22.2645 17.3478 -68.8699 17.3478 3.35992 GPRESSAVG: 1912800 3.42176 -44.8055 -67.5067 -39.6773 21.9885 18.1957 -67.4163 15.3964 3.68839 TIMING: 1912800 CPU: 6104.72, 0.00320867/step Wall: 6104.72, 0.00320867/step, 2.75161 hours remaining, 240.039062 MB of memory in use. ENERGY: 1912800 3909.7244 20571.0658 14424.1710 237.5988 -203328.5620 2660.0011 0.0000 0.0000 51986.2333 -109539.7675 298.7656 -161526.0008 -109183.9891 298.9968 203.8491 231.4078 761224.0682 9.7538 9.6996 PRESSURE: 1913000 -404.343 -288.18 -58.17 -288.18 -544.87 -46.3191 -58.1694 -46.3183 -227.892 GPRESSURE: 1913000 -331.117 -288.893 -67.2442 -220.666 -499.726 34.2621 7.86207 -41.8847 -272.232 PRESSAVG: 1913000 -4.45176 -29.5358 -9.67181 -29.5358 8.4049 -0.688228 -9.67173 -0.688221 -10.1454 GPRESSAVG: 1913000 -3.69673 -29.4949 -11.5063 -30.0573 7.62099 0.208584 -9.59063 -0.211263 -10.721 TIMING: 1913000 CPU: 6105.36, 0.00319573/step Wall: 6105.36, 0.00319573/step, 2.74034 hours remaining, 240.039062 MB of memory in use. ENERGY: 1913000 4045.2561 20469.0899 14465.2659 255.4690 -203077.6927 2370.4067 0.0000 0.0000 51990.4455 -109481.7596 298.7898 -161472.2050 -109122.8298 298.8408 -392.3684 -367.6912 762349.2606 -2.0641 -2.2656 PRESSURE: 1913200 11.369 165.233 -193.677 165.233 183.497 -182.803 -193.677 -182.802 163.188 GPRESSURE: 1913200 160.074 40.3201 -250.683 205.29 99.6559 -195.93 -190.791 -89.9297 206.523 PRESSAVG: 1913200 41.4691 -60.5079 -3.54437 -60.5079 -44.1008 -20.6787 -3.5443 -20.6787 -4.99161 GPRESSAVG: 1913200 41.6105 -60.7332 -3.7618 -61.5016 -44.0804 -21.3784 -3.32115 -20.5192 -5.07213 TIMING: 1913200 CPU: 6106, 0.00319387/step Wall: 6106, 0.00319387/step, 2.73856 hours remaining, 240.039062 MB of memory in use. ENERGY: 1913200 3972.5514 20433.2833 14411.4314 238.1035 -203241.9418 2610.5555 0.0000 0.0000 52152.3721 -109423.6446 299.7204 -161576.0167 -109078.9488 299.0764 119.3513 155.4177 760039.8130 -2.5411 -2.5140 PRESSURE: 1913400 234.732 -96.8507 22.7503 -96.8506 59.2105 -147.578 22.7506 -147.576 316.382 GPRESSURE: 1913400 269.549 -212.303 36.2091 -111.955 97.3127 -12.0578 93.5808 -99.232 315.466 PRESSAVG: 1913400 -4.15026 24.0131 29.9095 24.0131 6.80663 -1.99793 29.9096 -1.998 12.3669 GPRESSAVG: 1913400 -5.79752 23.1958 31.69 24.1912 6.98778 -1.62389 29.5301 -2.78069 13.8421 TIMING: 1913400 CPU: 6106.64, 0.00320552/step Wall: 6106.64, 0.00320552/step, 2.74838 hours remaining, 240.039062 MB of memory in use. ENERGY: 1913400 3952.2609 20526.9010 14384.2444 231.1158 -203384.2614 2696.5215 0.0000 0.0000 51971.6609 -109621.5568 298.6818 -161593.2177 -109263.9993 298.4368 203.4416 227.4426 762105.2025 5.0078 5.0108 PRESSURE: 1913600 -204.819 -244.208 126.734 -244.208 86.0959 66.155 126.733 66.1542 -135.149 GPRESSURE: 1913600 -199.138 -213.703 157.703 -215.665 60.542 115.698 112.73 -49.4794 -12.6774 PRESSAVG: 1913600 35.7245 -59.742 13.9206 -59.742 -34.8405 8.08727 13.9206 8.08726 -21.4531 GPRESSAVG: 1913600 36.0683 -58.1038 14.0249 -59.8789 -35.072 8.11831 14.9415 10.9417 -21.6628 TIMING: 1913600 CPU: 6107.28, 0.00319523/step Wall: 6107.28, 0.00319523/step, 2.73938 hours remaining, 240.039062 MB of memory in use. ENERGY: 1913600 3984.0377 20458.7400 14501.7262 278.9794 -203197.5920 2523.6158 0.0000 0.0000 51822.8894 -109627.6036 297.8269 -161450.4930 -109261.0489 298.3925 -84.6240 -50.4244 762094.0664 -6.8564 -6.8888 PRESSURE: 1913800 -66.6525 -177.394 76.8907 -177.395 -71.3851 84.761 76.8898 84.76 47.2995 GPRESSURE: 1913800 -3.24454 -31.1379 40.6952 -250.293 -18.6095 95.8949 130.015 185.049 26.3152 PRESSAVG: 1913800 -5.72426 -39.0595 23.2951 -39.0595 -24.0446 5.12961 23.2951 5.12963 1.84323 GPRESSAVG: 1913800 -5.13769 -39.8091 21.6882 -37.8452 -23.881 3.84927 23.1268 1.97513 1.18091 TIMING: 1913800 CPU: 6107.92, 0.0031738/step Wall: 6107.92, 0.0031738/step, 2.72083 hours remaining, 240.039062 MB of memory in use. ENERGY: 1913800 3936.5949 20430.9209 14442.5715 241.6229 -203236.2391 2693.7246 0.0000 0.0000 51930.2630 -109560.5413 298.4439 -161490.8043 -109207.0465 297.9731 -30.2460 1.4870 762960.4218 -9.3085 -9.2793 PRESSURE: 1914000 188.997 -23.9286 105.35 -23.9289 50.487 -38.6284 105.349 -38.6286 104.696 GPRESSURE: 1914000 190.826 -50.9829 50.1845 -59.4846 79.4808 38.5488 -5.37 3.16325 177.573 PRESSAVG: 1914000 -6.01768 -69.2425 -53.8242 -69.2425 20.6849 -36.719 -53.8241 -36.719 -4.34335 GPRESSAVG: 1914000 -7.33154 -67.3835 -51.677 -69.913 21.4786 -34.9198 -53.8017 -38.0041 -3.72162 TIMING: 1914000 CPU: 6108.55, 0.00318408/step Wall: 6108.55, 0.00318408/step, 2.72947 hours remaining, 240.039062 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: 1914000 3946.2402 20481.0229 14410.3014 246.7135 -203029.8551 2657.5573 0.0000 0.0000 51929.6677 -109358.3520 298.4405 -161288.0197 -109000.7587 298.9309 114.7268 149.2931 761757.2815 3.4413 3.4752 PRESSURE: 1914200 -89.4258 -50.4066 135.463 -50.4057 -99.8662 -223.92 135.464 -223.92 -252.112 GPRESSURE: 1914200 -118.476 -75.2414 137.014 -13.7229 6.94404 -306.514 71.3887 -113.583 -256.955 PRESSAVG: 1914200 -13.2315 -33.6946 50.1998 -33.6946 -40.1162 -26.9078 50.1998 -26.9078 4.06312 GPRESSAVG: 1914200 -11.8135 -33.1413 49.903 -33.5728 -41.5392 -27.4531 50.0657 -24.7881 4.01966 TIMING: 1914200 CPU: 6109.19, 0.00317476/step Wall: 6109.19, 0.00317476/step, 2.7213 hours remaining, 240.039062 MB of memory in use. ENERGY: 1914200 4021.6526 20558.5669 14426.3882 252.0245 -202682.6209 2251.2040 0.0000 0.0000 51968.8847 -109203.9000 298.6659 -161172.7847 -108843.8299 299.0964 -147.1347 -122.8291 759495.9444 -16.4282 -16.4443 PRESSURE: 1914400 236.168 -41.8845 119.538 -41.8844 -119.175 211.804 119.538 211.804 -269.785 GPRESSURE: 1914400 239.979 -81.222 158.54 -82.2221 29.4077 182.271 -35.6809 232.321 -304.753 PRESSAVG: 1914400 -7.83428 -29.9437 26.7263 -29.9437 -41.8471 -25.5418 26.7262 -25.5417 0.318445 GPRESSAVG: 1914400 -7.59094 -30.7736 27.3765 -29.8824 -42.0662 -25.5241 24.3881 -23.8641 0.226193 TIMING: 1914400 CPU: 6109.83, 0.00319304/step Wall: 6109.83, 0.00319304/step, 2.73679 hours remaining, 240.039062 MB of memory in use. ENERGY: 1914400 4023.7146 20321.4369 14438.3400 249.5963 -202710.8582 2361.4964 0.0000 0.0000 51951.1288 -109365.1452 298.5639 -161316.2740 -109016.1286 299.3040 -50.9304 -11.7887 760815.7349 -16.4543 -16.4770 PRESSURE: 1914600 -250.263 -167.859 -90.5547 -167.86 -62.6535 -3.13606 -90.5543 -3.13558 36.6607 GPRESSURE: 1914600 -148.723 -143.867 -16.3882 -210.419 31.9018 21.5886 109.507 -55.4604 -56.9498 PRESSAVG: 1914600 -52.266 -40.3825 21.5445 -40.3826 18.7168 9.38588 21.5445 9.38585 -13.7098 GPRESSAVG: 1914600 -51.2145 -41.0176 21.0771 -40.4149 19.4007 10.1444 24.4937 6.85778 -15.5483 TIMING: 1914600 CPU: 6110.47, 0.00320708/step Wall: 6110.47, 0.00320708/step, 2.74864 hours remaining, 240.039062 MB of memory in use. ENERGY: 1914600 4009.8458 20454.1722 14443.5590 264.9321 -202832.3504 2411.5080 0.0000 0.0000 51998.5396 -109249.7939 298.8363 -161248.3334 -108884.8912 298.4086 -92.0854 -57.9237 762181.4989 -15.7530 -15.7873 PRESSURE: 1914800 235.122 -66.7815 -7.93831 -66.7805 -51.3781 93.2957 -7.9376 93.2949 315.398 GPRESSURE: 1914800 382.232 -30.1538 -74.9391 -74.2065 -101.772 72.7851 -6.95939 89.8495 321.081 PRESSAVG: 1914800 -29.4594 -11.9519 22.4605 -11.9518 47.8005 -50.3574 22.4606 -50.3573 2.43853 GPRESSAVG: 1914800 -30.0412 -13.6287 22.5908 -14.022 47.2757 -50.8039 19.7838 -49.8337 4.11727 TIMING: 1914800 CPU: 6111.1, 0.00318436/step Wall: 6111.1, 0.00318436/step, 2.72899 hours remaining, 240.039062 MB of memory in use. ENERGY: 1914800 3875.3021 20509.4841 14477.0181 257.8045 -202439.0835 2198.9424 0.0000 0.0000 51954.2589 -109166.2733 298.5818 -161120.5322 -108804.1971 298.8954 166.3807 200.5138 762032.7235 6.9265 7.1173 PRESSURE: 1915000 -301.572 55.4496 -19.1402 55.4499 -158.002 50.8623 -19.1402 50.8611 -247.842 GPRESSURE: 1915000 -177.666 139.115 -72.1597 131.433 -149.861 10.3278 35.8735 186.767 -277.769 PRESSAVG: 1915000 -19.131 -35.5441 -4.8217 -35.544 62.646 -22.3095 -4.82163 -22.3094 -11.0468 GPRESSAVG: 1915000 -18.5077 -35.4756 -2.95566 -32.4163 62.718 -22.8167 -3.4484 -20.0154 -11.441 TIMING: 1915000 CPU: 6111.74, 0.00318388/step Wall: 6111.74, 0.00318388/step, 2.72841 hours remaining, 240.039062 MB of memory in use. ENERGY: 1915000 4026.3808 20395.0751 14484.4077 250.9253 -202623.7722 2187.8257 0.0000 0.0000 52107.6618 -109171.4957 299.4634 -161279.1575 -108798.7616 299.7133 -235.8054 -201.7653 763998.4789 10.8227 10.9231 PRESSURE: 1915200 269.339 49.6884 172.556 49.6887 152.995 82.2671 172.556 82.2667 -395.908 GPRESSURE: 1915200 352.343 124.859 45.2373 112.495 40.3065 7.89673 113.386 54.8733 -286.108 PRESSAVG: 1915200 -30.0323 -29.6394 -9.0659 -29.6393 44.9708 10.3371 -9.06594 10.3371 -3.06522 GPRESSAVG: 1915200 -31.4201 -27.0065 -11.1573 -33.2138 45.7073 10.4656 -8.36565 7.82113 -2.12801 TIMING: 1915200 CPU: 6112.38, 0.00318833/step Wall: 6112.38, 0.00318833/step, 2.73205 hours remaining, 240.039062 MB of memory in use. ENERGY: 1915200 4004.8152 20600.5431 14415.3810 276.2649 -203369.6547 2855.4897 0.0000 0.0000 52058.6703 -109158.4905 299.1819 -161217.1607 -108811.0172 299.3647 8.8086 35.5140 762357.3071 3.9578 4.0531 PRESSURE: 1915400 -33.8392 -57.8667 44.675 -57.8667 -142.839 10.5086 44.6754 10.5085 7.00483 GPRESSURE: 1915400 -30.3758 -98.1687 4.36516 51.6398 -101.597 38.3121 22.8166 -13.9354 33.0514 PRESSAVG: 1915400 0.149878 -30.4405 -33.289 -30.4405 -14.9173 -20.7174 -33.2889 -20.7174 11.0233 GPRESSAVG: 1915400 2.177 -31.3292 -34.5603 -29.4826 -15.7516 -19.0002 -33.9324 -21.3691 10.1188 TIMING: 1915400 CPU: 6113.02, 0.00319981/step Wall: 6113.02, 0.00319981/step, 2.7417 hours remaining, 240.039062 MB of memory in use. ENERGY: 1915400 3903.0190 20624.9847 14482.4197 265.7106 -203525.9012 2755.2671 0.0000 0.0000 52254.0905 -109240.4096 300.3050 -161494.5001 -108874.7697 298.9423 -56.5579 -32.9738 761649.5335 -1.2480 -1.1519 PRESSURE: 1915600 -35.4015 -240.617 -33.8772 -240.616 -37.2336 -60.0119 -33.878 -60.0117 -307.989 GPRESSURE: 1915600 -108.998 -214.631 -30.3002 -138.776 68.6649 17.542 -16.9738 2.37415 -262.764 PRESSAVG: 1915600 -29.5241 11.6286 -24.9792 11.6286 68.4279 -29.152 -24.9792 -29.152 -26.2597 GPRESSAVG: 1915600 -30.4469 13.1047 -22.4576 10.3828 68.8075 -29.9076 -23.503 -28.1664 -25.7098 TIMING: 1915600 CPU: 6113.66, 0.00323367/step Wall: 6113.66, 0.00323367/step, 2.77054 hours remaining, 240.039062 MB of memory in use. ENERGY: 1915600 3906.4017 20635.0102 14486.9469 235.7753 -203467.2297 2647.7737 0.0000 0.0000 52325.7163 -109229.6057 300.7166 -161555.3220 -108870.0629 299.8156 -126.8748 -101.0324 762611.7804 4.2147 4.2170 PRESSURE: 1915800 425.412 -214.362 53.0434 -214.362 -252.655 -114.939 53.0427 -114.939 193.198 GPRESSURE: 1915800 420.085 -278.014 29.2473 -358.588 -190.759 -169.848 -30.6153 -81.3612 220.659 PRESSAVG: 1915800 -72.2398 -58.7914 0.554275 -58.7913 39.7167 8.04074 0.554287 8.04069 6.53233 GPRESSAVG: 1915800 -73.2325 -59.9491 -0.333238 -57.5283 41.2881 6.46405 -0.00252614 10.3232 6.45353 TIMING: 1915800 CPU: 6114.31, 0.00321495/step Wall: 6114.31, 0.00321495/step, 2.75432 hours remaining, 240.039062 MB of memory in use. ENERGY: 1915800 4039.3669 20404.8208 14491.5557 267.0291 -203179.1038 2705.9343 0.0000 0.0000 52362.5859 -108907.8110 300.9285 -161270.3969 -108535.8278 299.8165 121.9849 149.9950 761837.1661 -8.6636 -8.4969 PRESSURE: 1916000 41.0657 10.5515 46.1239 10.5508 -43.9666 -115.952 46.1236 -115.952 -422.768 GPRESSURE: 1916000 97.5178 -54.0806 61.0034 86.7297 -43.1447 -194.552 53.6166 -78.9409 -375.864 PRESSAVG: 1916000 -34.4563 -16.9009 32.7605 -16.9009 42.4394 -34.6888 32.7605 -34.6888 14.6238 GPRESSAVG: 1916000 -34.0806 -17.7218 31.8757 -17.1142 41.759 -36.4142 32.5523 -35.8774 14.8985 TIMING: 1916000 CPU: 6114.95, 0.0031935/step Wall: 6114.95, 0.0031935/step, 2.73577 hours remaining, 240.039062 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: 1916000 3986.8924 20655.6979 14506.3599 238.0891 -203175.1897 2597.7369 0.0000 0.0000 52261.9124 -108928.5011 300.3499 -161190.4136 -108550.8371 299.9906 -141.8898 -107.1637 763895.2131 7.5356 7.5256 PRESSURE: 1916200 -65.806 41.0997 -123.343 41.1003 230.061 105.271 -123.344 105.272 -123.029 GPRESSURE: 1916200 -7.21757 19.9195 -235.836 -20.3675 249.434 92.9899 -230.902 -51.1785 -102.126 PRESSAVG: 1916200 38.5095 -10.1836 -57.6462 -10.1837 -26.5809 16.0877 -57.6462 16.0877 14.2473 GPRESSAVG: 1916200 39.4484 -9.81241 -57.9102 -10.4583 -27.6359 17.8733 -58.0729 17.1177 14.5545 TIMING: 1916200 CPU: 6115.59, 0.00320292/step Wall: 6115.59, 0.00320292/step, 2.74366 hours remaining, 240.039062 MB of memory in use. ENERGY: 1916200 4082.1114 20507.8548 14504.9261 242.0045 -203428.6102 2781.1681 0.0000 0.0000 52277.2622 -109033.2830 300.4381 -161310.5453 -108664.7840 300.0884 13.7421 46.6967 760959.0781 8.7253 8.7890 LDB: ============= START OF LOAD BALANCING ============== 6128.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6128.05 LDB: =============== DONE WITH MIGRATION ================ 6128.05 LDB: ============= START OF LOAD BALANCING ============== 6128.37 LDB: Largest compute 7070 load 0.040262 is 20.7% of average load 0.194951 LDB: Average compute 0.004420 is 2.3% of average load 0.194951 LDB: TIME 6128.37 LOAD: AVG 0.194951 MAX 0.215319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 6128.37 LOAD: AVG 0.194951 MAX 0.215319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.973 MB LDB: TIME 6128.37 LOAD: AVG 0.194951 MAX 0.215319 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.973 MB LDB: ============== END OF LOAD BALANCING =============== 6128.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6128.38 PRESSURE: 1916400 -206.112 16.323 -88.8384 16.323 -1.65337 -172.135 -88.8377 -172.135 132.892 GPRESSURE: 1916400 -160.773 -9.92439 -16.0155 -91.6983 18.8583 -209.795 -120.126 -179.247 155.678 PRESSAVG: 1916400 -6.01917 -34.0976 -54.0027 -34.0977 21.7587 -17.2459 -54.0027 -17.2458 -12.1189 GPRESSAVG: 1916400 -6.39457 -35.1181 -53.3474 -34.4873 21.2666 -18.1011 -55.8291 -17.2183 -12.1624 TIMING: 1916400 CPU: 6116.24, 0.00328682/step Wall: 6116.24, 0.00328681/step, 2.81534 hours remaining, 239.585938 MB of memory in use. ENERGY: 1916400 4008.4878 20445.2511 14452.5640 232.3606 -202600.8672 2315.6188 0.0000 0.0000 52243.6687 -108902.9163 300.2451 -161146.5849 -108540.0539 300.0422 -24.9578 4.5875 762649.0648 1.2069 0.9032 PRESSURE: 1916600 -0.74298 69.571 304.245 69.57 258.435 -81.0226 304.245 -81.0222 154.727 GPRESSURE: 1916600 8.01721 134.739 239.303 134.109 343.71 -28.7448 202.716 20.0473 135.439 PRESSAVG: 1916600 6.33391 -29.9437 8.0972 -29.9437 41.6667 -68.0146 8.09712 -68.0147 -24.0231 GPRESSAVG: 1916600 5.61584 -31.5364 8.21686 -29.1555 42.6221 -67.1621 8.55078 -67.0691 -23.9 TIMING: 1916600 CPU: 6116.88, 0.00318703/step Wall: 6116.88, 0.00318703/step, 2.72969 hours remaining, 239.585938 MB of memory in use. ENERGY: 1916600 3990.9159 20663.4354 14503.4386 251.0593 -203139.6308 2691.4259 0.0000 0.0000 52103.0097 -108936.3460 299.4367 -161039.3557 -108580.9576 300.6661 137.4730 162.3887 761744.1985 7.9925 8.1127 PRESSURE: 1916800 4.92147 -120.619 -76.7548 -120.619 48.7079 79.4168 -76.7548 79.4182 -5.92251 GPRESSURE: 1916800 72.0026 -52.1084 -32.1036 33.8382 123.507 28.7215 13.7922 273.181 -60.0133 PRESSAVG: 1916800 -24.9557 15.2897 -37.5356 15.2896 30.4594 -10.0464 -37.5356 -10.0463 25.9302 GPRESSAVG: 1916800 -24.1045 17.7329 -37.6358 15.4252 31.078 -8.88378 -35.8466 -12.7409 24.5936 TIMING: 1916800 CPU: 6117.53, 0.00321805/step Wall: 6117.53, 0.00321805/step, 2.75608 hours remaining, 239.585938 MB of memory in use. ENERGY: 1916800 3994.8131 20553.8271 14549.4986 247.0869 -203073.4535 2706.2635 0.0000 0.0000 52073.7440 -108948.2204 299.2685 -161021.9643 -108582.9649 300.0112 15.9023 45.1654 759902.6565 10.4780 10.5224 PRESSURE: 1917000 -294.964 105.681 159.505 105.681 67.3073 -37.7321 159.506 -37.7318 61.1303 GPRESSURE: 1917000 -255.491 122.403 137.517 74.3464 38.2563 88.2658 173.185 -145.358 118.579 PRESSAVG: 1917000 -6.64068 45.6081 -22.8754 45.6081 -21.9547 -8.90945 -22.8755 -8.90944 20.1547 GPRESSAVG: 1917000 -5.65684 43.6126 -22.9641 46.2244 -23.2643 -11.1681 -26.3249 -7.98704 20.4101 TIMING: 1917000 CPU: 6118.17, 0.0032212/step Wall: 6118.17, 0.0032212/step, 2.7586 hours remaining, 239.585938 MB of memory in use. ENERGY: 1917000 3984.3206 20723.8329 14479.3418 242.1461 -202786.9697 2284.9031 0.0000 0.0000 52130.1427 -108942.2825 299.5926 -161072.4252 -108585.5679 299.7448 -55.5088 -32.8853 760629.8241 -2.8136 -2.8370 PRESSURE: 1917200 74.7491 -87.1387 197.528 -87.1387 -148.764 -73.1512 197.529 -73.1515 -55.6111 GPRESSURE: 1917200 126.993 70.7454 276.889 -131.934 -116.85 -135.446 100.232 27.1349 -38.3333 PRESSAVG: 1917200 39.4661 14.9674 -38.2942 14.9674 -43.3323 0.269947 -38.2941 0.269991 3.0193 GPRESSAVG: 1917200 39.1164 16.3201 -38.8374 13.9719 -43.4454 0.217929 -37.5813 2.72228 3.55647 TIMING: 1917200 CPU: 6118.81, 0.00320274/step Wall: 6118.81, 0.00320274/step, 2.74262 hours remaining, 239.585938 MB of memory in use. ENERGY: 1917200 4114.5658 20658.9009 14389.7909 246.0210 -203306.5886 2675.0131 0.0000 0.0000 52318.4050 -108903.8920 300.6746 -161222.2970 -108537.0180 299.9301 -43.2088 -9.3970 760983.9100 -0.2823 -0.2575 PRESSURE: 1917400 69.1358 -86.1766 -234.48 -86.1766 167.742 54.3279 -234.48 54.3287 -199.678 GPRESSURE: 1917400 75.5234 -122.561 -200.541 -15.5451 215.247 43.0752 -139.937 -62.5693 -176.935 PRESSAVG: 1917400 31.4748 -17.9907 -15.1215 -17.9906 -41.9028 -37.2628 -15.1215 -37.2628 13.8624 GPRESSAVG: 1917400 31.4574 -18.3422 -15.7944 -18.8596 -40.9794 -35.4271 -12.8627 -38.3561 12.7524 TIMING: 1917400 CPU: 6119.45, 0.00321596/step Wall: 6119.45, 0.00321596/step, 2.75376 hours remaining, 239.585938 MB of memory in use. ENERGY: 1917400 4009.6804 20651.0118 14470.7417 237.4891 -203678.6658 2897.3447 0.0000 0.0000 52222.9770 -109189.4211 300.1262 -161412.3981 -108819.3026 300.0250 12.4000 37.9450 761729.7689 1.1448 1.0768 PRESSURE: 1917600 -198.192 -127.679 41.8988 -127.68 -445.988 80.5749 41.8992 80.5758 -153.415 GPRESSURE: 1917600 -205.482 -74.5983 12.7305 -124.107 -391.04 56.1121 174.439 97.9837 -125.261 PRESSAVG: 1917600 9.84118 -60.1795 -20.6368 -60.1795 4.57336 -15.9438 -20.6369 -15.9438 -20.3718 GPRESSAVG: 1917600 7.84015 -60.0213 -19.6691 -59.269 5.8846 -17.5251 -23.0719 -17.6727 -20.0537 TIMING: 1917600 CPU: 6120.1, 0.00321155/step Wall: 6120.1, 0.00321155/step, 2.7498 hours remaining, 239.585938 MB of memory in use. ENERGY: 1917600 4014.3189 20441.2823 14450.2780 255.1388 -203132.5244 2614.6342 0.0000 0.0000 52291.1086 -109065.7636 300.5177 -161356.8722 -108701.4957 299.7346 -265.8653 -240.5943 762241.1508 -1.9857 -2.1096 PRESSURE: 1917800 105.009 37.9244 162.357 37.925 -38.4642 80.1113 162.358 80.1109 -200.984 GPRESSURE: 1917800 88.0462 -78.4058 179.625 56.3355 19.2202 24.667 121.506 146.624 -143.915 PRESSAVG: 1917800 20.0406 -44.8087 -36.9619 -44.8087 2.47237 -45.3817 -36.9619 -45.3816 -7.32736 GPRESSAVG: 1917800 21.936 -44.7896 -38.1739 -44.0772 -0.414865 -45.6001 -35.6411 -42.4391 -6.64262 TIMING: 1917800 CPU: 6120.73, 0.00317584/step Wall: 6120.73, 0.00317584/step, 2.71905 hours remaining, 239.585938 MB of memory in use. ENERGY: 1917800 3990.3627 20562.6459 14490.0634 260.5781 -203416.7142 2510.2724 0.0000 0.0000 52392.7177 -109210.0740 301.1017 -161602.7917 -108847.9557 299.5414 -44.8131 -12.2161 761051.6735 5.0619 4.9595 PRESSURE: 1918000 -42.568 67.412 -17.678 67.4122 -194.336 -23.5723 -17.6777 -23.5695 72.4735 GPRESSURE: 1918000 1.58857 -6.3543 -36.125 79.679 -170.049 -99.2448 -160.149 -106.75 92.3629 PRESSAVG: 1918000 -12.3645 -33.3168 -31.6384 -33.3169 15.7831 13.7712 -31.6383 13.7713 -10.6291 GPRESSAVG: 1918000 -12.4543 -33.121 -30.1657 -36.9042 16.6238 14.2503 -33.2395 11.0957 -11.6776 TIMING: 1918000 CPU: 6121.37, 0.00318383/step Wall: 6121.37, 0.00318383/step, 2.72571 hours remaining, 239.585938 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: 1918000 3974.5449 20605.7147 14473.6622 237.0542 -203143.8819 2498.3325 0.0000 0.0000 51924.4221 -109430.1512 298.4104 -161354.5733 -109070.3460 299.2347 -54.8103 -25.3658 762421.6210 -2.4035 -2.5027 PRESSURE: 1918200 -132.488 -46.403 -33.5808 -46.4038 208.86 42.1343 -33.5811 42.1344 -25.8783 GPRESSURE: 1918200 -119.173 -20.9793 40.7083 -116.188 296.763 -4.14843 -52.3344 112.897 -33.7096 PRESSAVG: 1918200 22.1084 -52.8954 -33.3982 -52.8954 8.76407 -21.4621 -33.3982 -21.4621 -6.3099 GPRESSAVG: 1918200 21.5303 -53.4644 -33.7576 -49.8361 8.65431 -20.9622 -33.3172 -19.0338 -6.04602 TIMING: 1918200 CPU: 6122.01, 0.00320113/step Wall: 6122.01, 0.00320113/step, 2.74034 hours remaining, 239.585938 MB of memory in use. ENERGY: 1918200 3946.4765 20482.0906 14527.4765 241.4358 -203428.0682 2590.4948 0.0000 0.0000 52071.1120 -109568.9820 299.2534 -161640.0940 -109203.8983 299.0461 16.8313 47.9601 761154.0044 8.1875 8.0462 PRESSURE: 1918400 -123.997 -81.4057 163.035 -81.4052 -158.086 -58.6249 163.035 -58.6244 90.3034 GPRESSURE: 1918400 -30.1058 -51.1765 134.178 -31.591 -156.058 -119.447 176.745 -21.6624 67.1793 PRESSAVG: 1918400 -24.8715 -10.9373 10.5764 -10.9374 31.8629 -39.1303 10.5764 -39.1304 12.6219 GPRESSAVG: 1918400 -25.1343 -9.28248 11.1953 -10.9448 32.3234 -38.9126 10.4368 -39.8734 12.376 TIMING: 1918400 CPU: 6122.65, 0.00322154/step Wall: 6122.65, 0.00322154/step, 2.75764 hours remaining, 239.585938 MB of memory in use. ENERGY: 1918400 3984.6726 20530.2105 14406.5437 245.7657 -203018.7105 2266.4476 0.0000 0.0000 52018.8713 -109566.1991 298.9532 -161585.0704 -109209.0214 299.0188 -63.9263 -39.6616 761067.0224 6.5378 6.5217 PRESSURE: 1918600 385.533 119.573 78.5346 119.574 -292.607 16.8611 78.5351 16.8611 92.9117 GPRESSURE: 1918600 423.832 88.5291 122.749 25.5342 -315.863 175.095 -40.48 -21.3111 171.151 PRESSAVG: 1918600 -20.417 -14.1307 -22.4453 -14.1308 17.3757 -21.5027 -22.4453 -21.5027 -25.3428 GPRESSAVG: 1918600 -20.237 -15.225 -21.5971 -15.8098 16.9445 -20.6676 -19.6176 -22.374 -24.7667 TIMING: 1918600 CPU: 6123.29, 0.0032061/step Wall: 6123.29, 0.0032061/step, 2.74425 hours remaining, 239.585938 MB of memory in use. ENERGY: 1918600 3985.5627 20384.4823 14448.1605 245.4620 -203514.1196 2795.3903 0.0000 0.0000 52027.1820 -109627.8798 299.0009 -161655.0619 -109266.2343 298.5647 61.9461 93.0402 761634.4297 -9.4614 -9.3531 PRESSURE: 1918800 40.9792 -61.202 87.6862 -61.203 95.565 -367.138 87.687 -367.138 -50.7201 GPRESSURE: 1918800 110.256 91.7268 42.0211 -41.1563 114.118 -325.98 129.199 -307.743 -58.9481 PRESSAVG: 1918800 25.4455 -6.25322 -31.4052 -6.25327 -36.217 -40.3004 -31.4052 -40.3004 18.3259 GPRESSAVG: 1918800 25.8816 -4.28964 -32.6263 -6.93045 -36.2058 -39.8106 -31.5162 -40.5594 17.6164 TIMING: 1918800 CPU: 6123.93, 0.00317597/step Wall: 6123.93, 0.00317597/step, 2.71828 hours remaining, 239.585938 MB of memory in use. ENERGY: 1918800 3978.6028 20444.2633 14512.1736 235.7922 -203343.3420 2509.3924 0.0000 0.0000 52109.4486 -109553.6691 299.4737 -161663.1177 -109185.2703 298.5007 28.6080 55.1420 760254.6349 2.5181 2.4307 PRESSURE: 1919000 -276.203 46.7258 -77.1146 46.726 -36.0685 -188.607 -77.1152 -188.608 136.284 GPRESSURE: 1919000 -209.253 -47.2011 -99.0955 74.3277 -43.2403 -154.284 -140.566 -288.272 150.139 PRESSAVG: 1919000 0.437011 -16.6937 9.23429 -16.6937 -30.2573 -64.4351 9.23422 -64.435 8.00102 GPRESSAVG: 1919000 1.00779 -17.9931 9.49895 -16.5489 -30.128 -64.5689 9.15715 -65.5502 7.64478 TIMING: 1919000 CPU: 6124.57, 0.00319811/step Wall: 6124.57, 0.00319811/step, 2.73705 hours remaining, 239.585938 MB of memory in use. ENERGY: 1919000 4106.6815 20574.8135 14524.0807 248.3672 -202786.1864 2314.7731 0.0000 0.0000 51782.9095 -109234.5608 297.5971 -161017.4703 -108882.0669 299.1724 -58.6625 -34.1183 761248.1990 -7.2731 -7.1585 PRESSURE: 1919200 75.4395 -57.8135 296.828 -57.8139 -202.581 -72.8707 296.829 -72.8695 -25.1152 GPRESSURE: 1919200 -35.4901 -83.1632 233.477 -101.692 -105.202 -93.1942 244.069 -65.2506 66.9861 PRESSAVG: 1919200 14.106 -32.0641 11.7526 -32.064 1.63112 21.1432 11.7525 21.1433 20.0358 GPRESSAVG: 1919200 14.2356 -30.9043 9.69419 -32.163 0.316922 21.038 11.5832 23.279 20.5597 TIMING: 1919200 CPU: 6125.2, 0.00317275/step Wall: 6125.2, 0.00317275/step, 2.71517 hours remaining, 239.585938 MB of memory in use. ENERGY: 1919200 3967.7897 20475.3236 14458.7894 243.0500 -203286.2156 2620.8887 0.0000 0.0000 51853.4845 -109666.8897 298.0027 -161520.3743 -109302.9056 299.1395 -50.7521 -24.5686 762388.8383 11.9243 11.7041 PRESSURE: 1919400 -201.739 -171.021 91.8553 -171.021 167.804 -119.275 91.8548 -119.275 -171.181 GPRESSURE: 1919400 -83.5244 -208.188 83.6903 -140.261 174.255 -65.7183 89.8013 -181.036 -213.772 PRESSAVG: 1919400 42.2075 -5.08047 -34.2144 -5.08049 -53.3852 -19.0974 -34.2143 -19.0974 -8.71909 GPRESSAVG: 1919400 40.9162 -5.59894 -32.7529 -3.67674 -50.9702 -20.6635 -34.0126 -19.4153 -9.72135 TIMING: 1919400 CPU: 6125.84, 0.00317641/step Wall: 6125.84, 0.00317641/step, 2.71812 hours remaining, 239.585938 MB of memory in use. ENERGY: 1919400 3950.3313 20206.3126 14460.9466 240.4981 -202907.0647 2483.2249 0.0000 0.0000 52149.0542 -109416.6970 299.7013 -161565.7511 -109052.2379 298.5226 -68.3718 -41.0137 761466.4288 -6.6323 -6.5918 PRESSURE: 1919600 7.31358 175.015 58.784 175.016 -219.735 106.805 58.7842 106.806 -396.173 GPRESSURE: 1919600 31.875 121.928 124.9 207.827 -273.354 91.1191 -39.6011 160.074 -285.553 PRESSAVG: 1919600 35.2372 -71.7928 -11.7885 -71.7927 -27.6311 -66.7515 -11.7885 -66.7515 23.6114 GPRESSAVG: 1919600 34.9639 -70.9714 -12.0083 -71.1269 -27.819 -66.3076 -12.137 -66.4198 24.661 TIMING: 1919600 CPU: 6126.48, 0.00318598/step Wall: 6126.48, 0.00318598/step, 2.72614 hours remaining, 239.585938 MB of memory in use. ENERGY: 1919600 3982.8390 20624.6894 14449.8575 251.5798 -203052.4342 2483.5683 0.0000 0.0000 51607.6444 -109652.2558 296.5898 -161259.9002 -109308.6785 298.4656 -202.8650 -175.6771 764108.8947 10.4058 10.6020 PRESSURE: 1919800 23.9291 -92.8364 32.0605 -92.8361 34.7105 -44.5687 32.0603 -44.5684 82.1637 GPRESSURE: 1919800 42.5825 -67.1256 63.2737 -162.762 107.693 -44.705 -43.7594 -226.079 70.8323 PRESSAVG: 1919800 4.68419 -44.6025 -30.6949 -44.6024 -0.257326 -33.7559 -30.6949 -33.756 -8.77678 GPRESSAVG: 1919800 6.32557 -43.8803 -29.1776 -45.6119 -1.70127 -34.697 -30.2603 -34.4376 -8.68835 TIMING: 1919800 CPU: 6127.11, 0.00316084/step Wall: 6127.11, 0.00316084/step, 2.70445 hours remaining, 239.585938 MB of memory in use. ENERGY: 1919800 4082.7279 20557.6821 14489.5388 259.0561 -203616.2928 2979.5907 0.0000 0.0000 51733.4271 -109514.2701 297.3127 -161247.6972 -109164.0129 297.9385 46.9344 73.7027 762466.1148 -1.4500 -1.3547 PRESSURE: 1920000 -240.004 -7.1143 -145.962 -7.11458 33.33 -228.287 -145.963 -228.286 57.7546 GPRESSURE: 1920000 -147.439 -56.7017 -89.0863 10.8737 -32.8101 -275.774 -203.213 -237.972 135.874 PRESSAVG: 1920000 27.1289 -35.3242 2.30502 -35.3241 -24.8748 37.9202 2.30506 37.9202 -2.45411 GPRESSAVG: 1920000 27.1982 -36.4364 2.58051 -35.2171 -23.6158 38.1105 0.411577 39.3246 -3.75198 TIMING: 1920000 CPU: 6127.74, 0.00315389/step Wall: 6127.74, 0.00315389/step, 2.69833 hours remaining, 239.585938 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: 1920000 4045.2002 20392.2159 14424.9317 240.4724 -203344.2936 2615.5642 0.0000 0.0000 51975.3243 -109650.5849 298.7029 -161625.9092 -109302.2460 298.8201 -49.6399 -14.7916 761624.9580 -0.0667 -0.0565 PRESSURE: 1920200 246.141 -131.596 95.675 -131.597 261.676 -75.0923 95.6747 -75.0913 -175.522 GPRESSURE: 1920200 342.696 -197.302 91.9215 -69.6563 246.749 -54.1723 128.985 -15.8126 -162.148 PRESSAVG: 1920200 -15.066 -78.4095 -13.0842 -78.4096 5.2807 -7.66241 -13.0842 -7.66229 11.4329 GPRESSAVG: 1920200 -15.3037 -81.5933 -13.6206 -78.2431 4.22752 -7.37737 -11.3973 -10.2074 12.8158 TIMING: 1920200 CPU: 6128.38, 0.00318379/step Wall: 6128.38, 0.00318379/step, 2.72373 hours remaining, 239.585938 MB of memory in use. ENERGY: 1920200 4037.4746 20424.8420 14531.4309 238.9987 -203605.6555 2838.5574 0.0000 0.0000 51902.6757 -109631.6761 298.2854 -161534.3519 -109279.3899 298.6396 110.7649 142.4321 761290.1647 0.5492 0.5799 LDB: ============= START OF LOAD BALANCING ============== 6140.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6140.83 LDB: =============== DONE WITH MIGRATION ================ 6140.83 LDB: ============= START OF LOAD BALANCING ============== 6141.15 LDB: Largest compute 7068 load 0.038762 is 19.9% of average load 0.195008 LDB: Average compute 0.004387 is 2.2% of average load 0.195008 LDB: TIME 6141.16 LOAD: AVG 0.195008 MAX 0.214702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.836 MB LDB: TIME 6141.16 LOAD: AVG 0.195008 MAX 0.214702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.875 MB LDB: TIME 6141.16 LOAD: AVG 0.195008 MAX 0.214702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.875 MB LDB: ============== END OF LOAD BALANCING =============== 6141.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6141.16 PRESSURE: 1920400 -20.3404 -175.192 -110.794 -175.192 53.4963 -196.766 -110.794 -196.766 149.163 GPRESSURE: 1920400 16.1533 -230.998 -146.439 -68.0472 84.5621 -199.502 -21.1852 -180.783 169.824 PRESSAVG: 1920400 21.4397 -7.98906 -80.5211 -7.98906 -2.11623 -21.8834 -80.521 -21.8834 -7.1928 GPRESSAVG: 1920400 21.5166 -7.11257 -82.4786 -7.79266 -1.61912 -20.2748 -79.5085 -20.6409 -7.2219 TIMING: 1920400 CPU: 6129.03, 0.0032633/step Wall: 6129.03, 0.0032633/step, 2.79157 hours remaining, 240.867188 MB of memory in use. ENERGY: 1920400 3890.4341 20416.6055 14489.3897 240.7769 -203746.9064 2949.3577 0.0000 0.0000 51769.3103 -109991.0321 297.5189 -161760.3425 -109629.3966 298.1721 60.7728 90.1799 761790.0797 4.0436 4.2252 PRESSURE: 1920600 26.7944 22.1775 137.968 22.1772 -258.821 -74.3471 137.968 -74.3472 -307.078 GPRESSURE: 1920600 -18.0336 -5.90505 204.341 79.4192 -258.372 -48.7554 81.6639 -120.907 -182.581 PRESSAVG: 1920600 -10.7241 4.36915 6.65383 4.36922 -14.7726 -43.9129 6.65378 -43.913 8.03381 GPRESSAVG: 1920600 -9.73051 5.53604 7.30983 4.94358 -16.2211 -45.9544 4.28314 -45.3772 8.77895 TIMING: 1920600 CPU: 6129.67, 0.00319065/step Wall: 6129.67, 0.00319066/step, 2.72925 hours remaining, 240.937500 MB of memory in use. ENERGY: 1920600 3921.3090 20479.3716 14463.3668 257.9952 -203314.2533 2387.8559 0.0000 0.0000 51742.4196 -110061.9353 297.3644 -161804.3549 -109704.5920 297.9476 -179.7017 -152.9957 761363.2621 -5.8210 -5.7242 PRESSURE: 1920800 129.007 -141.176 -148.259 -141.175 -26.514 40.5624 -148.26 40.563 -197.05 GPRESSURE: 1920800 173.931 -131.846 -143.701 -60.2094 13.8749 85.8248 -122.923 22.1603 -217.197 PRESSAVG: 1920800 17.1765 -15.9459 -1.73698 -15.9459 18.517 -31.7438 -1.737 -31.7438 11.5393 GPRESSAVG: 1920800 15.8238 -15.8361 -1.37297 -17.6276 21.5574 -32.3232 0.100096 -31.0703 9.41299 TIMING: 1920800 CPU: 6130.31, 0.003201/step Wall: 6130.31, 0.003201/step, 2.73793 hours remaining, 240.937500 MB of memory in use. ENERGY: 1920800 4017.4948 20337.5333 14479.7022 249.0391 -203434.2394 2524.0054 0.0000 0.0000 51802.5719 -110023.8928 297.7101 -161826.4647 -109654.7241 297.9919 -31.5191 -9.7971 761626.6042 15.7443 15.5981 PRESSURE: 1921000 -9.30221 155.018 -33.1065 155.019 -144.558 58.8462 -33.1058 58.8463 -1.38596 GPRESSURE: 1921000 58.6295 159.736 79.9564 167.557 -209.405 -4.35236 -145.432 220.544 79.147 PRESSAVG: 1921000 62.0582 -5.10017 35.5672 -5.10016 -47.1865 22.6444 35.5672 22.6444 30.6824 GPRESSAVG: 1921000 61.0006 -5.61187 35.8156 -5.26625 -48.2679 24.0383 34.3972 23.3628 31.993 TIMING: 1921000 CPU: 6130.94, 0.00318011/step Wall: 6130.94, 0.00318011/step, 2.71988 hours remaining, 240.937500 MB of memory in use. ENERGY: 1921000 3954.7189 20519.7049 14514.4363 248.5733 -203875.6356 2653.0594 0.0000 0.0000 51962.3682 -110022.7746 298.6284 -161985.1428 -109648.6174 298.4880 -51.7487 -23.8761 760461.0931 15.1847 14.9086 PRESSURE: 1921200 247.842 8.3719 149.842 8.37257 -300.983 -65.5296 149.842 -65.5294 276.898 GPRESSURE: 1921200 324.16 -5.88505 225.14 -29.2494 -293.764 -54.9651 175.108 -227.137 290.756 PRESSAVG: 1921200 24.6536 -32.304 -11.1447 -32.3039 -32.7295 -8.12039 -11.1446 -8.12037 -4.47046 GPRESSAVG: 1921200 25.11 -34.3074 -11.1282 -30.0464 -33.546 -8.23078 -11.2985 -6.30796 -3.73386 TIMING: 1921200 CPU: 6131.57, 0.00315568/step Wall: 6131.57, 0.00315568/step, 2.69881 hours remaining, 240.937500 MB of memory in use. ENERGY: 1921200 3935.8903 20362.9224 14425.7897 257.0071 -204005.6885 2912.5600 0.0000 0.0000 51927.5803 -110183.9387 298.4285 -162111.5190 -109817.4234 297.8815 74.5856 107.0509 761852.2641 -4.1821 -4.0566 PRESSURE: 1921400 -9.49407 -38.145 -137.061 -38.1436 144.626 -299.885 -137.061 -299.885 -310.523 GPRESSURE: 1921400 32.9524 39.457 -86.8407 -76.49 134.814 -276.113 -116.335 -159.481 -254.253 PRESSAVG: 1921400 8.66361 -57.9842 11.9569 -57.9842 10.3214 -33.2295 11.9569 -33.2294 -1.54296 GPRESSAVG: 1921400 9.81443 -56.1167 11.4859 -60.252 9.11548 -32.4087 12.218 -35.0683 -1.7903 TIMING: 1921400 CPU: 6132.2, 0.00315412/step Wall: 6132.2, 0.00315412/step, 2.6973 hours remaining, 240.937500 MB of memory in use. ENERGY: 1921400 4050.1330 20608.7876 14506.7885 225.3950 -203714.0786 2469.5401 0.0000 0.0000 51655.8673 -110197.5669 296.8670 -161853.4342 -109842.5405 297.4634 -58.4635 -28.8288 760557.5014 5.8140 5.7132 PRESSURE: 1921600 314.775 53.383 252.147 53.3827 -2.84586 9.58306 252.148 9.58266 -244.963 GPRESSURE: 1921600 359.453 104.002 167.4 -50.1291 -35.358 37.8022 136.759 -29.6513 -187.102 PRESSAVG: 1921600 -10.8219 -50.7637 14.8873 -50.7637 56.9618 -0.967458 14.8873 -0.967507 -2.53955 GPRESSAVG: 1921600 -11.6354 -50.6668 14.5733 -51.5336 58.1763 -0.356077 14.7057 -1.396 -2.61383 TIMING: 1921600 CPU: 6132.84, 0.00319525/step Wall: 6132.84, 0.00319525/step, 2.73229 hours remaining, 240.937500 MB of memory in use. ENERGY: 1921600 3958.2409 20257.5461 14491.0480 236.1035 -203727.0457 2781.2799 0.0000 0.0000 51841.2896 -110161.5377 297.9326 -162002.8273 -109799.4767 298.0209 22.3221 45.6642 760733.2432 14.5334 14.6424 PRESSURE: 1921800 -87.1499 -126.869 -135.161 -126.869 443.823 194.376 -135.161 194.375 -19.9051 GPRESSURE: 1921800 2.71769 -210.013 -134.72 -238.91 461.456 184.984 -82.1075 102.762 -18.5289 PRESSAVG: 1921800 -44.5576 -46.9996 -7.2783 -46.9996 21.1541 -23.7969 -7.27832 -23.7969 -8.87825 GPRESSAVG: 1921800 -45.2262 -47.9693 -5.76624 -45.958 21.4586 -24.5173 -8.13932 -23.7443 -8.24752 TIMING: 1921800 CPU: 6133.49, 0.00321257/step Wall: 6133.49, 0.00321257/step, 2.74693 hours remaining, 240.937500 MB of memory in use. ENERGY: 1921800 3974.5297 20535.4347 14442.2121 245.1055 -203879.1922 2780.4359 0.0000 0.0000 51927.3221 -109974.1522 298.4270 -161901.4744 -109629.8470 297.7628 112.2560 148.5482 761218.6867 -10.7606 -10.6717 PRESSURE: 1922000 -28.9374 -166.233 -0.502076 -166.233 173.757 -96.3797 -0.502424 -96.3791 -125.764 GPRESSURE: 1922000 50.6706 -199.413 -54.5077 -165.7 141.651 -188.468 -162.843 -62.1558 -73.011 PRESSAVG: 1922000 3.73693 -45.7918 -58.3304 -45.7918 -14.3764 0.762523 -58.3304 0.762561 7.30911 GPRESSAVG: 1922000 4.81633 -45.7339 -59.4431 -45.0964 -14.1695 0.161015 -56.2062 2.52381 5.91815 TIMING: 1922000 CPU: 6134.12, 0.00317811/step Wall: 6134.12, 0.00317811/step, 2.71728 hours remaining, 240.937500 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: 1922000 3930.3940 20438.0013 14432.7336 240.2021 -203131.7610 2408.6724 0.0000 0.0000 51806.6389 -109875.1186 297.7335 -161681.7575 -109514.4344 298.4678 6.3521 39.7701 761299.3972 -1.1101 -1.1450 PRESSURE: 1922200 -465.905 -84.2905 12.4274 -84.2899 -186.879 74.5099 12.4279 74.5088 23.3927 GPRESSURE: 1922200 -382.527 -162.841 -49.2458 -125.087 -162.133 42.3945 -69.9242 98.9669 11.0059 PRESSAVG: 1922200 -4.16785 -54.6743 -41.4664 -54.6742 1.11064 -4.0944 -41.4665 -4.09439 0.0882746 GPRESSAVG: 1922200 -4.74722 -55.3491 -40.9906 -54.3243 0.265882 -4.72113 -42.5742 -3.85677 1.35789 TIMING: 1922200 CPU: 6134.76, 0.00319767/step Wall: 6134.76, 0.00319767/step, 2.73383 hours remaining, 240.937500 MB of memory in use. ENERGY: 1922200 3975.0805 20505.8367 14424.1357 231.5030 -203253.4862 2507.0388 0.0000 0.0000 51891.0449 -109718.8466 298.2185 -161609.8915 -109352.6628 298.2495 -209.7970 -177.8845 762201.2395 -0.9896 -1.0411 PRESSURE: 1922400 157.256 -236.188 -168.731 -236.188 148.115 18.5499 -168.731 18.5492 -268.892 GPRESSURE: 1922400 97.6666 -276.009 -134.188 -171.743 192.634 -95.5289 -195.67 -108.855 -182.841 PRESSAVG: 1922400 66.6026 4.10827 -43.3827 4.10833 -52.9067 -22.9284 -43.3827 -22.9284 7.18727 GPRESSAVG: 1922400 67.5719 6.92391 -42.9802 1.89802 -53.5479 -22.0486 -45.3019 -23.0124 7.1947 TIMING: 1922400 CPU: 6135.4, 0.0031838/step Wall: 6135.4, 0.0031838/step, 2.7218 hours remaining, 240.937500 MB of memory in use. ENERGY: 1922400 3968.1400 20468.2029 14429.0956 244.9086 -203464.4732 2709.8033 0.0000 0.0000 52110.3252 -109533.9976 299.4788 -161644.3228 -109178.1814 298.4553 12.1597 35.8197 762173.8218 6.9611 7.0729 PRESSURE: 1922600 469.529 273.559 40.8419 273.56 147.657 -130.408 40.8423 -130.408 -61.5824 GPRESSURE: 1922600 456.539 292.259 40.2428 277.06 235.596 -141.771 -80.3315 -101.588 -52.6422 PRESSAVG: 1922600 65.9764 -17.4254 -12.9786 -17.4254 -38.0629 -78.9583 -12.9786 -78.9583 -32.9993 GPRESSAVG: 1922600 65.3244 -19.6579 -13.1419 -14.9523 -38.3913 -80.616 -10.7274 -77.857 -31.9298 TIMING: 1922600 CPU: 6136.03, 0.00317866/step Wall: 6136.03, 0.00317866/step, 2.71723 hours remaining, 240.937500 MB of memory in use. ENERGY: 1922600 3973.4760 20450.5381 14478.3770 251.7371 -203145.7818 2518.7590 0.0000 0.0000 51758.9643 -109713.9303 297.4595 -161472.8946 -109359.7773 298.7677 185.2012 213.1643 762240.0948 -1.6953 -1.6656 PRESSURE: 1922800 -395.781 15.5195 97.3066 15.5203 145.431 -71.4233 97.3065 -71.4238 20.3094 GPRESSURE: 1922800 -303.823 -127.142 92.6034 57.8671 119.515 -81.4584 52.6262 -87.13 41.2061 PRESSAVG: 1922800 28.1513 8.70375 11.6217 8.70371 -53.9399 41.085 11.6217 41.085 -14.7247 GPRESSAVG: 1922800 27.9854 9.61513 11.6977 5.61909 -52.0817 41.6594 10.7946 39.5592 -17.0939 TIMING: 1922800 CPU: 6136.67, 0.00317486/step Wall: 6136.67, 0.00317486/step, 2.7138 hours remaining, 240.937500 MB of memory in use. ENERGY: 1922800 3989.7942 20697.1908 14461.5782 239.4123 -203481.3742 2614.9549 0.0000 0.0000 51944.5358 -109533.9081 298.5260 -161478.4439 -109181.4555 298.4344 -76.6803 -47.7005 760798.8570 -13.5044 -13.7301 PRESSURE: 1923000 -27.3878 73.6562 -44.1419 73.6548 -234.167 -83.4092 -44.1415 -83.4082 -32.9814 GPRESSURE: 1923000 -106.933 20.8238 -61.8583 30.8594 -91.8439 22.4892 19.892 -116.29 3.50037 PRESSAVG: 1923000 6.37081 -0.159536 4.4676 -0.15955 -76.9366 -46.1758 4.46759 -46.1758 8.60682 GPRESSAVG: 1923000 6.91566 1.11473 4.3018 0.742395 -78.1111 -46.038 5.01713 -45.8281 9.16468 TIMING: 1923000 CPU: 6137.31, 0.00318798/step Wall: 6137.31, 0.00318798/step, 2.72484 hours remaining, 240.937500 MB of memory in use. ENERGY: 1923000 3907.1948 20659.0532 14487.9883 258.3406 -203165.7932 2092.0332 0.0000 0.0000 52177.8891 -109583.2940 299.8670 -161761.1831 -109227.0687 298.8924 -98.1787 -65.0924 762349.3856 -20.6530 -20.6769 PRESSURE: 1923200 71.6913 -67.4553 28.3053 -67.456 -6.14662 6.59202 28.3051 6.59067 192.751 GPRESSURE: 1923200 -26.0007 -73.9693 46.3385 99.1393 105.433 -18.7503 55.6546 -27.0031 255.139 PRESSAVG: 1923200 26.7463 33.3674 -8.4305 33.3673 -37.6497 -50.6859 -8.43048 -50.686 -11.3857 GPRESSAVG: 1923200 25.147 32.369 -5.34474 36.1233 -36.7889 -49.5019 -9.51081 -50.4498 -10.8318 TIMING: 1923200 CPU: 6137.94, 0.00318072/step Wall: 6137.94, 0.00318072/step, 2.71845 hours remaining, 240.937500 MB of memory in use. ENERGY: 1923200 3895.2897 20665.6809 14438.5634 239.2436 -202998.4984 2428.6916 0.0000 0.0000 51843.7734 -109487.2559 297.9469 -161331.0293 -109135.7235 298.9659 86.0985 111.5238 762374.9343 -7.4297 -7.4912 PRESSURE: 1923400 -139.413 9.09788 -154.974 9.09744 -211.518 -14.0538 -154.974 -14.0539 109.601 GPRESSURE: 1923400 -132.175 43.6097 -184.773 8.47975 -211.924 2.67655 -141.846 -31.6766 181.045 PRESSAVG: 1923400 -27.7826 8.26311 -15.1142 8.26314 -21.0774 33.5717 -15.1142 33.5717 -15.8211 GPRESSAVG: 1923400 -28.0948 9.49764 -17.1489 4.94356 -20.8762 31.983 -14.12 33.814 -15.6605 TIMING: 1923400 CPU: 6138.58, 0.00319052/step Wall: 6138.58, 0.00319052/step, 2.72665 hours remaining, 240.937500 MB of memory in use. ENERGY: 1923400 4050.1599 20509.8250 14403.6287 257.3650 -202903.6410 2262.3668 0.0000 0.0000 52035.3490 -109384.9466 299.0479 -161420.2955 -109034.1990 299.3975 -80.4436 -54.3515 762230.3846 -21.5604 -21.5438 PRESSURE: 1923600 31.5754 -195.994 22.2027 -195.995 -105.669 -62.3952 22.2028 -62.3951 -116.902 GPRESSURE: 1923600 70.6987 -112.33 64.2985 -200.852 -94.2807 -54.1167 48.6709 67.3057 -73.1532 PRESSAVG: 1923600 -45.1107 -4.61078 -49.9058 -4.61072 11.5952 48.5445 -49.9058 48.5445 9.18713 GPRESSAVG: 1923600 -43.4277 -5.67755 -49.4618 -4.45211 10.6559 47.4341 -49.8584 50.7301 8.34856 TIMING: 1923600 CPU: 6139.21, 0.00315752/step Wall: 6139.21, 0.00315752/step, 2.69828 hours remaining, 240.937500 MB of memory in use. ENERGY: 1923600 3999.6375 20353.2637 14491.7737 238.7001 -203458.1058 2607.8047 0.0000 0.0000 52181.1014 -109585.8246 299.8855 -161766.9260 -109225.3721 298.9881 -63.6653 -32.2451 760649.9068 -8.1094 -8.1411 PRESSURE: 1923800 102.895 -35.8261 -129.834 -35.8255 -129.873 207.075 -129.835 207.075 562.538 GPRESSURE: 1923800 89.8753 -113.362 -197.742 24.7978 28.0811 217.799 -157.229 123.919 519.546 PRESSAVG: 1923800 -14.7594 56.7794 -31.4463 56.7794 30.6837 -11.1549 -31.4462 -11.1549 0.412603 GPRESSAVG: 1923800 -13.9825 54.9181 -32.5424 59.7752 30.7319 -9.08367 -29.3555 -15.2136 -0.656135 TIMING: 1923800 CPU: 6139.84, 0.00315683/step Wall: 6139.84, 0.00315683/step, 2.69751 hours remaining, 240.937500 MB of memory in use. ENERGY: 1923800 3964.6068 20454.7543 14363.4979 255.2571 -203330.4165 2600.4909 0.0000 0.0000 51887.6197 -109804.1898 298.1989 -161691.8096 -109445.3167 299.0727 178.5199 212.5007 760678.1608 5.4456 5.3644 PRESSURE: 1924000 157.495 -103.718 -12.7614 -103.717 28.8883 -237.767 -12.7611 -237.767 507.456 GPRESSURE: 1924000 203.888 -77.4523 -71.2161 -37.891 72.6961 -174.777 -54.6717 -193.66 497.464 PRESSAVG: 1924000 -51.8827 29.3222 -36.2322 29.3221 37.0047 8.69189 -36.2322 8.69187 11.3975 GPRESSAVG: 1924000 -52.4978 29.7043 -35.653 27.3923 38.0428 6.48754 -36.2644 9.44579 11.6619 TIMING: 1924000 CPU: 6140.48, 0.00319224/step Wall: 6140.48, 0.00319224/step, 2.72759 hours remaining, 240.937500 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: 1924000 3955.7298 20380.3722 14395.8153 259.9381 -203343.1353 2645.1694 0.0000 0.0000 51803.7160 -109902.3945 297.7167 -161706.1105 -109543.7978 298.6438 231.2796 258.0160 761487.8727 -1.1602 -0.9310 PRESSURE: 1924200 -268.258 -85.0402 118.619 -85.0409 -291.232 -252.541 118.62 -252.542 255.478 GPRESSURE: 1924200 -250.202 -133.112 135.342 73.016 -277.304 -169.503 78.9064 -295.219 313.1 PRESSAVG: 1924200 -3.20621 -33.9601 -2.86985 -33.96 16.7083 7.68406 -2.8698 7.6841 -17.7217 GPRESSAVG: 1924200 -4.29722 -35.5589 -4.14753 -31.636 17.1429 7.53607 -3.9327 8.00378 -17.6979 TIMING: 1924200 CPU: 6141.12, 0.00317902/step Wall: 6141.12, 0.00317902/step, 2.71612 hours remaining, 240.937500 MB of memory in use. ENERGY: 1924200 3988.5753 20336.8775 14520.5916 252.4484 -203513.1714 2467.3679 0.0000 0.0000 52022.0121 -109925.2987 298.9712 -161947.3108 -109566.2658 298.3207 -101.3371 -71.4687 760366.6764 -1.4065 -1.6174 LDB: ============= START OF LOAD BALANCING ============== 6153.57 LDB: ============== END OF LOAD BALANCING =============== 6153.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6153.57 LDB: ============= START OF LOAD BALANCING ============== 6153.89 LDB: Largest compute 7071 load 0.036268 is 18.6% of average load 0.195062 LDB: Average compute 0.004390 is 2.3% of average load 0.195062 LDB: TIME 6153.89 LOAD: AVG 0.195062 MAX 0.213172 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 6153.89 LOAD: AVG 0.195062 MAX 0.213172 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 6153.89 LOAD: AVG 0.195062 MAX 0.213172 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 6153.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6153.9 PRESSURE: 1924400 69.4964 -44.5816 101.799 -44.5815 430.815 168.466 101.799 168.465 146.871 GPRESSURE: 1924400 168.238 -52.1616 6.54737 -109.804 382.106 248.334 141.928 60.0981 190.008 PRESSAVG: 1924400 17.684 37.3179 -6.72673 37.3179 9.77831 0.599723 -6.72678 0.599731 12.8758 GPRESSAVG: 1924400 17.4885 39.0443 -6.66029 38.2432 8.27017 2.44115 -9.28653 1.74613 14.3148 TIMING: 1924400 CPU: 6141.77, 0.00324699/step Wall: 6141.77, 0.00324699/step, 2.77402 hours remaining, 240.867188 MB of memory in use. ENERGY: 1924400 4016.4270 20413.5295 14421.6146 233.4829 -203851.9073 2934.9910 0.0000 0.0000 51947.4058 -109884.4565 298.5425 -161831.8623 -109521.2950 298.4588 215.7275 246.7836 759828.0960 13.4461 13.3578 PRESSURE: 1924600 143.818 -126.592 -7.4286 -126.591 -104.427 290.153 -7.42818 290.152 -287.048 GPRESSURE: 1924600 117.189 -166.454 41.4742 -50.0614 -97.2613 354.36 -118.581 211.476 -197.961 PRESSAVG: 1924600 -26.818 11.6005 -33.6753 11.6006 -9.48628 74.1928 -33.6753 74.1929 1.33355 GPRESSAVG: 1924600 -26.2611 10.3463 -31.7974 9.04759 -8.63352 73.6378 -32.2943 73.7337 0.622172 TIMING: 1924600 CPU: 6142.4, 0.00317275/step Wall: 6142.4, 0.00317275/step, 2.71041 hours remaining, 240.867188 MB of memory in use. ENERGY: 1924600 4003.6629 20483.5138 14457.4363 241.6417 -203205.9426 2423.2085 0.0000 0.0000 51820.2347 -109776.2446 297.8116 -161596.4793 -109421.0085 298.3921 -82.5524 -59.3446 760920.9521 -11.6569 -11.4241 PRESSURE: 1924800 -209.099 -225.174 -15.4535 -225.175 -300.356 28.2887 -15.4533 28.2884 -634.757 GPRESSURE: 1924800 -276.736 -145.078 -101.24 -132.547 -203.563 108.194 30.2505 -19.5106 -569.396 PRESSAVG: 1924800 -1.80652 -57.6641 -47.2964 -57.6641 21.7377 36.3379 -47.2965 36.3379 4.01984 GPRESSAVG: 1924800 -2.50503 -56.9754 -49.7806 -56.8739 22.0714 37.6906 -45.0331 35.2213 4.09126 TIMING: 1924800 CPU: 6143.04, 0.00319235/step Wall: 6143.04, 0.00319235/step, 2.72698 hours remaining, 240.867188 MB of memory in use. ENERGY: 1924800 4005.6112 20509.7440 14398.5165 247.9395 -203568.9614 2571.3120 0.0000 0.0000 52001.6816 -109834.1567 298.8544 -161835.8383 -109480.1583 298.5890 -381.4042 -349.8980 759283.7287 7.9837 7.8859 PRESSURE: 1925000 -199.682 9.79146 106.991 9.79164 221.12 -63.7813 106.991 -63.7808 121.192 GPRESSURE: 1925000 -106.08 -81.8693 37.3218 41.9902 232.573 -35.1362 130.263 -74.5686 95.8607 PRESSAVG: 1925000 -18.3082 -6.06236 6.19908 -6.06244 36.2734 39.2631 6.19908 39.263 22.5496 GPRESSAVG: 1925000 -17.6958 -5.57675 8.17386 -5.05606 35.6569 36.5893 6.20003 40.4798 22.1644 TIMING: 1925000 CPU: 6143.67, 0.0031652/step Wall: 6143.67, 0.0031652/step, 2.70361 hours remaining, 240.867188 MB of memory in use. ENERGY: 1925000 3981.0876 20626.9839 14431.0947 242.4821 -203497.7996 2774.8107 0.0000 0.0000 52107.2148 -109334.1257 299.4609 -161441.3406 -108986.2221 299.4295 47.5430 74.1180 760540.4319 13.5049 13.3751 PRESSURE: 1925200 -210.15 42.6636 151.796 42.6642 -238.054 -16.468 151.796 -16.4674 -628.304 GPRESSURE: 1925200 -156.404 22.1422 172.322 28.9497 -284.427 -123.569 56.9682 -36.8158 -575.692 PRESSAVG: 1925200 -17.4308 -44.4151 -20.5114 -44.4152 6.49497 5.12664 -20.5114 5.12667 -22.0618 GPRESSAVG: 1925200 -16.6233 -44.4661 -21.8373 -43.9359 5.58604 5.89726 -22.6854 5.40016 -22.279 TIMING: 1925200 CPU: 6144.31, 0.00319328/step Wall: 6144.31, 0.00319328/step, 2.72742 hours remaining, 240.867188 MB of memory in use. ENERGY: 1925200 4039.9179 20660.2062 14431.1070 247.7452 -203818.4761 2523.5791 0.0000 0.0000 52497.9872 -109417.9334 301.7067 -161915.9207 -109035.7535 299.9819 -358.8357 -338.8409 761033.7456 -10.9992 -11.1054 PRESSURE: 1925400 -60.8955 -133.573 473.03 -133.573 -405.294 -82.9906 473.03 -82.9886 70.1639 GPRESSURE: 1925400 -110.901 -67.9745 438.93 -27.3063 -331.823 -64.0969 444.839 -125.219 127.424 PRESSAVG: 1925400 24.8241 7.53767 -16.5647 7.53774 -28.7456 3.31697 -16.5647 3.31693 -11.5455 GPRESSAVG: 1925400 24.5765 7.50249 -15.9565 7.33645 -28.02 3.40837 -15.1701 2.20812 -11.8585 TIMING: 1925400 CPU: 6144.95, 0.00319724/step Wall: 6144.95, 0.00319724/step, 2.73062 hours remaining, 240.867188 MB of memory in use. ENERGY: 1925400 3984.8107 20741.5947 14426.6314 257.2811 -203331.9578 2326.6342 0.0000 0.0000 52297.0567 -109297.9489 300.5519 -161595.0056 -108942.9664 299.9630 -132.0085 -105.1000 760016.5331 -5.1556 -5.1007 PRESSURE: 1925600 -80.4331 -133.267 200.244 -133.266 -160.906 -190.653 200.244 -190.652 624.163 GPRESSURE: 1925600 -27.5693 10.9824 238.844 -101.883 -89.3698 -209.025 124.328 -138.82 581.568 PRESSAVG: 1925600 2.9798 8.3297 22.3532 8.32965 -4.26446 2.77823 22.3532 2.77833 18.3079 GPRESSAVG: 1925600 2.74742 7.67752 22.8169 7.87015 -4.98094 4.4507 20.977 1.88374 19.5276 TIMING: 1925600 CPU: 6145.59, 0.00318419/step Wall: 6145.59, 0.00318419/step, 2.7193 hours remaining, 240.867188 MB of memory in use. ENERGY: 1925600 3940.2314 20403.3161 14504.5436 252.1543 -203121.6179 2329.3286 0.0000 0.0000 52297.9026 -109394.1414 300.5568 -161692.0440 -109032.4770 300.0699 127.6079 154.8762 761293.9177 5.6744 5.7647 PRESSURE: 1925800 119.482 60.3506 -66.9573 60.3498 141.423 -166.501 -66.9573 -166.501 155.209 GPRESSURE: 1925800 191.301 71.3463 -58.2364 -12.4376 193.885 -188.556 -33.8734 -182.317 133.2 PRESSAVG: 1925800 30.1939 23.1317 10.8876 23.1317 -9.83803 -13.3077 10.8875 -13.3076 31.3268 GPRESSAVG: 1925800 30.8297 23.8206 10.3455 21.7289 -8.50107 -14.5883 12.4459 -13.1311 29.0153 TIMING: 1925800 CPU: 6146.22, 0.00316653/step Wall: 6146.22, 0.00316653/step, 2.70404 hours remaining, 240.867188 MB of memory in use. ENERGY: 1925800 3964.3723 20470.5350 14424.6396 221.4491 -203656.5898 3016.6246 0.0000 0.0000 51904.6558 -109654.3132 298.2968 -161558.9691 -109290.2206 299.4523 138.7051 172.7955 761968.4820 17.2275 17.1146 PRESSURE: 1926000 68.1657 -164.653 125.025 -164.653 -343.512 22.2133 125.025 22.2133 77.4863 GPRESSURE: 1926000 165.663 -122.193 78.0159 -213.753 -246.01 -54.2726 232.985 74.72 -41.9659 PRESSAVG: 1926000 -10.6983 -1.33578 -31.0934 -1.33582 -13.7272 -2.13318 -31.0935 -2.13316 -0.756738 GPRESSAVG: 1926000 -10.7067 -0.766429 -30.2506 -1.60644 -14.2964 -3.04933 -31.9855 -1.00912 -0.23588 TIMING: 1926000 CPU: 6146.86, 0.00317635/step Wall: 6146.86, 0.00317634/step, 2.71225 hours remaining, 240.867188 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: 1926000 4023.6461 20642.4669 14469.9502 234.8335 -203331.7623 2485.9003 0.0000 0.0000 51924.0268 -109550.9384 298.4081 -161474.9652 -109195.8972 299.0778 -65.9534 -40.7710 762304.8521 -8.3941 -8.4130 PRESSURE: 1926200 148.933 101.927 -146.409 101.927 69.9037 -257.291 -146.409 -257.29 74.1367 GPRESSURE: 1926200 219.333 28.7898 -115.273 39.7298 85.8143 -286.702 -186.302 -268.546 80.5876 PRESSAVG: 1926200 32.4749 -43.8931 -45.9581 -43.893 -11.4192 -9.51903 -45.958 -9.51898 -15.1732 GPRESSAVG: 1926200 31.5518 -46.2767 -46.0605 -40.5191 -12.0027 -10.1957 -45.8653 -9.96556 -13.6626 TIMING: 1926200 CPU: 6147.49, 0.00319123/step Wall: 6147.49, 0.00319123/step, 2.72478 hours remaining, 240.867188 MB of memory in use. ENERGY: 1926200 3969.1463 20308.3977 14440.0685 236.6993 -203256.5932 2508.4637 0.0000 0.0000 52284.8277 -109508.9900 300.4816 -161793.8177 -109139.8515 299.6417 97.6577 128.5784 760370.0945 1.9609 1.9622 PRESSURE: 1926400 441.546 56.498 -168.89 56.4983 73.6069 4.27458 -168.889 4.27533 -343.557 GPRESSURE: 1926400 483.614 37.204 -235.326 -76.1133 116.047 -73.8531 -20.2045 56.185 -345.279 PRESSAVG: 1926400 67.6543 -0.170384 -67.3275 -0.170404 -20.8686 -18.0777 -67.3274 -18.0778 33.3265 GPRESSAVG: 1926400 68.3628 2.58402 -68.5836 -6.15451 -21.2901 -16.5712 -67.6763 -20.0129 33.0363 TIMING: 1926400 CPU: 6148.14, 0.00322019/step Wall: 6148.14, 0.00322019/step, 2.74933 hours remaining, 240.867188 MB of memory in use. ENERGY: 1926400 4075.3084 20762.5409 14429.8082 249.6352 -203372.9742 2605.6476 0.0000 0.0000 51661.9083 -109588.1256 296.9017 -161250.0339 -109232.8361 298.7398 57.1987 84.7939 761219.5801 26.7040 26.7030 PRESSURE: 1926600 -63.6036 -49.8046 -262.898 -49.805 -107.961 -3.55559 -262.898 -3.55689 122.172 GPRESSURE: 1926600 -5.66924 -38.8354 -213.684 -71.5403 5.88851 -91.1262 -178.444 -3.6626 50.1262 PRESSAVG: 1926600 25.4435 -70.2366 -47.124 -70.2366 -14.3443 22.3366 -47.124 22.3366 -9.42282 GPRESSAVG: 1926600 26.133 -70.6146 -46.4594 -67.1987 -14.2888 22.7638 -45.0412 22.3095 -10.1844 TIMING: 1926600 CPU: 6148.77, 0.00318152/step Wall: 6148.77, 0.00318151/step, 2.71613 hours remaining, 240.867188 MB of memory in use. ENERGY: 1926600 4007.3147 20550.2154 14425.3234 253.6713 -203332.4173 2632.5503 0.0000 0.0000 52076.5330 -109386.8091 299.2846 -161463.3421 -109029.7072 298.7144 -16.4642 16.7818 761581.0125 0.5588 0.5533 PRESSURE: 1926800 -66.4249 4.28174 186.105 4.2824 -25.771 -144.944 186.105 -144.944 127.834 GPRESSURE: 1926800 -9.24188 -15.9081 263.166 98.0606 9.19382 -142.556 135.735 -210.879 119.893 PRESSAVG: 1926800 25.4458 -20.8655 -2.23299 -20.8655 -39.0389 -24.1872 -2.23296 -24.1872 31.4745 GPRESSAVG: 1926800 23.9462 -21.1653 -1.39019 -21.6993 -37.4024 -23.8536 -4.78717 -22.4348 31.1673 TIMING: 1926800 CPU: 6149.42, 0.00320778/step Wall: 6149.42, 0.00320778/step, 2.73838 hours remaining, 240.867188 MB of memory in use. ENERGY: 1926800 3966.3294 20510.5401 14378.4521 256.1071 -203820.7915 3007.7114 0.0000 0.0000 52042.3740 -109659.2775 299.0882 -161701.6515 -109295.9581 299.1662 11.8795 39.9482 760601.6013 5.9605 5.9037 PRESSURE: 1927000 -210.781 -89.3076 50.2448 -89.3076 -372.28 -25.2367 50.2446 -25.2357 -65.7966 GPRESSURE: 1927000 -222.594 -94.5953 52.7496 -61.1819 -322.363 -30.2741 98.8577 -24.804 -31.0399 PRESSAVG: 1927000 -12.3541 30.6138 -25.1189 30.6138 6.51262 -92.7678 -25.119 -92.7677 18.8227 GPRESSAVG: 1927000 -12.3001 29.6819 -25.1127 31.1432 5.94116 -94.3392 -25.111 -90.5249 19.1527 TIMING: 1927000 CPU: 6150.06, 0.00319858/step Wall: 6150.06, 0.00319858/step, 2.73035 hours remaining, 240.867188 MB of memory in use. ENERGY: 1927000 3974.6485 20426.8735 14466.8999 235.6540 -203320.0328 2385.5155 0.0000 0.0000 52122.4379 -109708.0035 299.5484 -161830.4414 -109336.6753 298.8814 -216.2858 -191.9989 761988.5573 4.3271 4.2646 PRESSURE: 1927200 264.664 -44.6791 95.6444 -44.6795 323.67 -140.719 95.6438 -140.718 -4.33254 GPRESSURE: 1927200 308.208 -101.06 50.589 -16.0276 410.781 -58.828 155.929 -225.008 -36.9162 PRESSAVG: 1927200 27.8135 -50.8972 -5.53475 -50.8972 7.66395 -11.9526 -5.53472 -11.9526 -7.24776 GPRESSAVG: 1927200 28.1423 -52.153 -7.10487 -50.0822 7.52441 -12.3744 -2.80092 -13.4421 -7.26032 TIMING: 1927200 CPU: 6150.69, 0.00318103/step Wall: 6150.69, 0.00318103/step, 2.71519 hours remaining, 240.867188 MB of memory in use. ENERGY: 1927200 3942.6249 20452.0851 14438.9220 240.6328 -204023.5158 3182.8372 0.0000 0.0000 52110.8377 -109655.5761 299.4817 -161766.4138 -109297.8733 299.0788 194.6673 227.3575 760530.5755 9.4099 9.4688 PRESSURE: 1927400 79.081 -91.3481 -91.769 -91.349 32.3343 -146.731 -91.7689 -146.731 96.1401 GPRESSURE: 1927400 80.5394 -79.162 -42.949 -29.95 162.279 -249.643 -135.019 -211.684 44.3625 PRESSAVG: 1927400 3.45901 -43.7406 -33.4687 -43.7407 -2.14828 -49.4301 -33.4687 -49.43 -5.12833 GPRESSAVG: 1927400 3.87284 -41.3031 -31.0265 -43.3805 -1.89444 -51.4694 -35.4613 -47.3287 -4.94785 TIMING: 1927400 CPU: 6151.34, 0.00322562/step Wall: 6151.34, 0.00322562/step, 2.75307 hours remaining, 240.867188 MB of memory in use. ENERGY: 1927400 4071.1246 20551.4551 14413.4225 265.8425 -203626.4495 2791.1771 0.0000 0.0000 51770.6434 -109762.7843 297.5266 -161533.4277 -109400.0815 298.4463 69.1851 95.7270 762508.7329 -1.2725 -0.9898 PRESSURE: 1927600 209.741 -56.3719 113.705 -56.3723 -427.899 -40.6823 113.704 -40.6818 124.669 GPRESSURE: 1927600 181.092 -19.5811 138.114 -181.078 -301.522 -31.7144 -108.768 -103.584 108.172 PRESSAVG: 1927600 33.6903 -0.869246 -39.7177 -0.869231 -12.9538 -62.9787 -39.7177 -62.9788 -19.1763 GPRESSAVG: 1927600 33.0723 -0.983041 -40.2837 -1.726 -13.3849 -59.8085 -41.3548 -64.1462 -18.3837 TIMING: 1927600 CPU: 6151.98, 0.00321049/step Wall: 6151.98, 0.00321049/step, 2.73998 hours remaining, 240.867188 MB of memory in use. ENERGY: 1927600 4029.8695 20377.5251 14451.5593 243.0802 -203257.6737 2445.9369 0.0000 0.0000 51890.5087 -109819.1940 298.2155 -161709.7027 -109451.5249 297.6143 -31.1629 -4.0861 762065.6645 0.5200 0.4346 PRESSURE: 1927800 206.79 158.069 23.7954 158.068 144.757 -47.2383 23.7951 -47.2388 -336.279 GPRESSURE: 1927800 219.344 17.1069 -20.1525 176.947 150.394 -34.3168 117.86 -135.168 -272.788 PRESSAVG: 1927800 19.5495 -63.0737 -70.5622 -63.0738 -46.6332 -24.7842 -70.5622 -24.7842 26.5008 GPRESSAVG: 1927800 19.5056 -62.3317 -71.9337 -63.5921 -46.1748 -25.7899 -69.4628 -25.3025 25.7655 TIMING: 1927800 CPU: 6152.62, 0.00319371/step Wall: 6152.62, 0.00319371/step, 2.72547 hours remaining, 240.867188 MB of memory in use. ENERGY: 1927800 4044.5467 20377.9604 14447.8693 240.6759 -203591.4348 2876.2049 0.0000 0.0000 51750.4054 -109853.7723 297.4103 -161604.1777 -109491.6394 297.4101 5.0892 32.3165 761879.2674 -0.1943 -0.3012 PRESSURE: 1928000 -221.301 -50.4874 277.577 -50.4882 -411.036 5.43529 277.577 5.43453 -103.953 GPRESSURE: 1928000 -161.415 -103.021 257.579 -42.6144 -313.356 70.7729 262.482 -137.383 -145.444 PRESSAVG: 1928000 49.4842 -15.9675 -5.29929 -15.9675 -58.0332 -37.5467 -5.29933 -37.5467 -6.3272 GPRESSAVG: 1928000 49.5034 -19.1647 -5.24093 -14.5284 -58.0593 -38.3807 -5.17124 -37.4871 -6.35112 TIMING: 1928000 CPU: 6153.26, 0.00320502/step Wall: 6153.26, 0.00320502/step, 2.73495 hours remaining, 240.867188 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: 1928000 3967.4691 20459.2142 14371.4412 242.3897 -202990.1361 2438.0899 0.0000 0.0000 51807.3106 -109704.2214 297.7373 -161511.5320 -109355.0006 297.9446 -245.4302 -206.7384 762161.4439 -4.9587 -4.9690 PRESSURE: 1928200 -218.369 -11.2917 -185.781 -11.2916 -217.039 -65.6603 -185.781 -65.6597 -168.683 GPRESSURE: 1928200 -180.112 -118.727 -153.828 105.003 -227.745 -72.1674 -145.865 -52.0897 -121.462 PRESSAVG: 1928200 22.0313 12.6605 -12.1296 12.6605 11.0606 0.535127 -12.1296 0.535092 -13.4244 GPRESSAVG: 1928200 21.9439 15.6928 -12.1943 12.2215 9.58958 2.75036 -12.1397 -0.76694 -12.7338 TIMING: 1928200 CPU: 6153.9, 0.00320132/step Wall: 6153.9, 0.00320132/step, 2.73162 hours remaining, 240.867188 MB of memory in use. ENERGY: 1928200 4017.5033 20393.2764 14453.5425 259.5595 -203336.2184 2622.4906 0.0000 0.0000 51964.6124 -109625.2336 298.6413 -161589.8460 -109265.9906 298.1448 -201.3636 -176.4396 761622.3418 6.5558 6.2666 LDB: ============= START OF LOAD BALANCING ============== 6166.36 LDB: ============== END OF LOAD BALANCING =============== 6166.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6166.36 LDB: ============= START OF LOAD BALANCING ============== 6166.68 LDB: Largest compute 7071 load 0.038840 is 19.9% of average load 0.195211 LDB: Average compute 0.004396 is 2.3% of average load 0.195211 LDB: TIME 6166.68 LOAD: AVG 0.195211 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 6166.68 LOAD: AVG 0.195211 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: TIME 6166.68 LOAD: AVG 0.195211 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: ============== END OF LOAD BALANCING =============== 6166.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6166.69 PRESSURE: 1928400 -79.5681 -62.4439 -138.696 -62.4435 -149.295 -256.835 -138.696 -256.835 230.744 GPRESSURE: 1928400 -113.877 -40.5522 -173.364 -85.502 -32.1611 -274.669 56.8707 -239.344 239.21 PRESSAVG: 1928400 58.5511 3.46998 3.5469 3.47004 -37.1784 -35.558 3.54691 -35.558 31.2776 GPRESSAVG: 1928400 57.5079 2.97033 4.07838 5.27003 -36.0678 -36.8862 6.41194 -33.0365 31.1721 TIMING: 1928400 CPU: 6154.55, 0.00326731/step Wall: 6154.55, 0.00326731/step, 2.78774 hours remaining, 240.039062 MB of memory in use. ENERGY: 1928400 4001.1445 20397.3455 14366.6618 237.2023 -203140.3153 2562.0768 0.0000 0.0000 52155.8797 -109420.0047 299.7406 -161575.8844 -109061.3788 298.4864 0.6271 31.0574 760847.5031 17.5501 17.5374 PRESSURE: 1928600 -156.878 -70.7222 158.47 -70.722 -34.0603 -50.8815 158.47 -50.8823 240.346 GPRESSURE: 1928600 -105.203 15.2348 169.01 -45.2972 -98.1112 -6.69556 94.126 -95.8425 322.639 PRESSAVG: 1928600 17.3963 -55.3356 37.0731 -55.3356 -41.3979 12.9112 37.0732 12.9112 -18.3151 GPRESSAVG: 1928600 17.5281 -54.3815 37.5986 -56.3498 -41.258 12.3786 32.8339 12.956 -18.3085 TIMING: 1928600 CPU: 6155.19, 0.00318155/step Wall: 6155.19, 0.00318155/step, 2.71439 hours remaining, 240.039062 MB of memory in use. ENERGY: 1928600 3945.6394 20465.8799 14399.4931 258.8057 -203023.4854 2417.2663 0.0000 0.0000 52105.2885 -109431.1124 299.4498 -161536.4009 -109060.8661 299.2185 16.4693 39.7752 762458.0849 -14.1056 -14.0128 PRESSURE: 1928800 150.23 12.3308 122.243 12.3308 -96.1075 243.514 122.242 243.512 -31.9921 GPRESSURE: 1928800 168.442 -33.6223 144.487 20.7064 -53.8123 271.078 -22.0077 238.498 -12.4235 PRESSAVG: 1928800 7.94425 -58.8446 17.9585 -58.8446 -19.2524 -10.5318 17.9584 -10.5319 16.7979 GPRESSAVG: 1928800 8.22954 -62.4233 17.179 -59.7477 -19.2054 -10.0143 18.8228 -10.8777 16.5418 TIMING: 1928800 CPU: 6155.83, 0.00319026/step Wall: 6155.83, 0.00319026/step, 2.72165 hours remaining, 240.039062 MB of memory in use. ENERGY: 1928800 3972.5927 20446.4237 14374.9242 226.6032 -203412.4276 2615.3947 0.0000 0.0000 52329.0724 -109447.4167 300.7359 -161776.4891 -109087.1075 298.7622 7.3767 34.0687 761391.1725 1.8299 1.8553 PRESSURE: 1929000 273.943 188.635 -243.809 188.634 -236.464 31.7574 -243.809 31.7576 -238.415 GPRESSURE: 1929000 266.841 176.837 -212.496 187.776 -153.797 -42.3073 -127.609 -28.3795 -225.148 PRESSAVG: 1929000 -29.2459 -13.9855 4.00341 -13.9856 28.4442 -36.1808 4.00335 -36.1807 19.2782 GPRESSAVG: 1929000 -29.3437 -12.4477 4.49491 -13.1208 29.2538 -36.9564 4.35455 -37.1675 17.7113 TIMING: 1929000 CPU: 6156.46, 0.00318167/step Wall: 6156.46, 0.00318167/step, 2.71414 hours remaining, 240.039062 MB of memory in use. ENERGY: 1929000 4000.8309 20439.3151 14436.9621 247.0900 -202933.9132 2251.9538 0.0000 0.0000 51981.7069 -109576.0544 298.7396 -161557.7614 -109211.9671 299.3075 -66.9784 -37.3683 761207.8334 6.1589 5.8738 PRESSURE: 1929200 -227.965 5.52845 136.766 5.52784 -11.7927 -174.813 136.766 -174.812 -98.5184 GPRESSURE: 1929200 -250.54 -103.078 83.9832 31.6631 -1.43939 -146 110.101 -71.5655 12.6229 PRESSAVG: 1929200 -29.146 7.96996 -42.4506 7.96995 -2.85106 -48.8094 -42.4506 -48.8095 10.1694 GPRESSAVG: 1929200 -29.9454 7.59038 -41.2485 7.86839 -3.12405 -47.5036 -42.875 -48.5058 11.4964 TIMING: 1929200 CPU: 6157.1, 0.00318943/step Wall: 6157.1, 0.00318943/step, 2.72059 hours remaining, 240.039062 MB of memory in use. ENERGY: 1929200 4032.1697 20506.5184 14341.8660 234.3801 -203297.2972 2782.6082 0.0000 0.0000 52054.8506 -109344.9042 299.1599 -161399.7548 -108985.9791 299.0345 -112.7587 -79.7856 762328.0569 -7.2759 -7.1910 PRESSURE: 1929400 15.1461 -42.5959 -89.6367 -42.597 120.244 246.384 -89.6371 246.383 222.77 GPRESSURE: 1929400 183.776 -107.009 -91.2509 -75.0531 29.3914 208.431 -84.7503 189.046 225.132 PRESSAVG: 1929400 -63.2026 21.8025 43.958 21.8025 -15.5607 -61.9055 43.958 -61.9055 -12.9404 GPRESSAVG: 1929400 -61.3337 22.8547 42.5613 19.7862 -17.3191 -64.6169 45.1366 -62.2187 -13.2262 TIMING: 1929400 CPU: 6157.74, 0.00317309/step Wall: 6157.74, 0.00317309/step, 2.70647 hours remaining, 240.039062 MB of memory in use. ENERGY: 1929400 3961.1090 20433.4979 14414.7562 255.6573 -203349.3867 2606.2889 0.0000 0.0000 52120.8073 -109557.2700 299.5390 -161678.0773 -109190.1650 298.8844 119.3868 146.0998 761477.4881 -30.5679 -30.6263 PRESSURE: 1929600 84.7238 232.569 -104.987 232.569 -64.6908 -103.623 -104.986 -103.624 183.123 GPRESSURE: 1929600 106.69 303.273 -130.835 302.531 -9.24944 -187.174 37.069 -91.6863 174.149 PRESSAVG: 1929600 60.6464 -25.2831 9.12998 -25.2832 -30.2932 -53.5379 9.12999 -53.5378 -1.73043 GPRESSAVG: 1929600 59.5841 -25.3283 9.45857 -22.8762 -28.9403 -52.5883 10.5305 -50.9152 -1.37075 TIMING: 1929600 CPU: 6158.38, 0.00320187/step Wall: 6158.38, 0.00320187/step, 2.73084 hours remaining, 240.039062 MB of memory in use. ENERGY: 1929600 3961.4734 20533.8205 14410.2745 237.9169 -203803.2782 2868.6444 0.0000 0.0000 52052.6201 -109738.5285 299.1471 -161791.1485 -109376.2996 298.7603 67.7186 90.5298 761908.2868 9.5409 9.7577 PRESSURE: 1929800 184.936 -222.374 -87.8136 -222.375 141.699 -108.216 -87.8143 -108.217 352.763 GPRESSURE: 1929800 195.509 -110.419 -127.645 -258.561 198.474 -99.8025 -143.12 -110.009 354.255 PRESSAVG: 1929800 13.5134 -30.2245 -21.9151 -30.2246 -9.18851 -27.343 -21.915 -27.343 18.5477 GPRESSAVG: 1929800 13.5068 -31.8648 -23.6947 -31.78 -8.67672 -25.5259 -22.497 -31.5901 18.2242 TIMING: 1929800 CPU: 6159.02, 0.0031962/step Wall: 6159.02, 0.0031962/step, 2.72583 hours remaining, 240.039062 MB of memory in use. ENERGY: 1929800 3939.5663 20689.4310 14425.3376 240.8424 -203740.7834 2819.7396 0.0000 0.0000 52027.9445 -109597.9219 299.0053 -161625.8664 -109235.8607 298.9351 226.4661 249.4128 761288.4020 7.6242 7.6848 PRESSURE: 1930000 47.8805 -152.746 -164.752 -152.746 268.591 -340.773 -164.751 -340.773 -70.6609 GPRESSURE: 1930000 8.44956 -109.456 -201.988 -135.118 377.413 -267.986 -120.728 -232.831 -60.6426 PRESSAVG: 1930000 26.2093 19.1314 4.41765 19.1313 -11.0359 14.3492 4.41772 14.3492 5.47885 GPRESSAVG: 1930000 25.5779 20.6143 6.46941 18.015 -10.5367 13.9422 2.70469 15.253 5.32513 TIMING: 1930000 CPU: 6159.66, 0.00320018/step Wall: 6159.66, 0.00320018/step, 2.72904 hours remaining, 240.039062 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: 1930000 3985.8956 20573.3585 14387.1038 247.8314 -203585.6544 2880.9477 0.0000 0.0000 51918.4104 -109592.1072 298.3758 -161510.5175 -109232.1568 298.7236 81.9370 108.4068 759718.3694 6.8841 6.7888 PRESSURE: 1930200 -124.454 -138.982 -216.022 -138.983 -377.783 47.0174 -216.022 47.0178 73.666 GPRESSURE: 1930200 -76.0644 38.4902 -186.722 -98.1281 -335.235 47.4653 -161.229 86.3097 76.7321 PRESSAVG: 1930200 42.799 -14.6573 22.7397 -14.6574 -9.20024 -36.4079 22.7397 -36.4079 43.0079 GPRESSAVG: 1930200 43.6722 -15.4124 21.8831 -14.0819 -10.4356 -37.4562 24.7024 -33.521 42.8801 TIMING: 1930200 CPU: 6160.3, 0.00320366/step Wall: 6160.3, 0.00320366/step, 2.73183 hours remaining, 240.039062 MB of memory in use. ENERGY: 1930200 4028.8578 20602.4476 14341.6565 240.3087 -203148.5630 2389.0572 0.0000 0.0000 51964.8536 -109581.3815 298.6427 -161546.2351 -109219.5457 298.4453 -142.8571 -111.5226 761359.5912 25.5356 25.3723 PRESSURE: 1930400 233.549 -115.386 204.067 -115.386 -77.0549 60.5185 204.067 60.5186 -9.98627 GPRESSURE: 1930400 307.115 -77.8956 261.934 -97.7802 -171.133 27.5792 166.139 16.5996 82.5148 PRESSAVG: 1930400 80.1144 -35.4042 -20.8244 -35.4042 -49.4288 -5.36961 -20.8244 -5.36956 1.73828 GPRESSAVG: 1930400 79.4783 -35.5952 -21.7187 -34.5537 -49.8521 -4.30007 -20.2344 -7.51018 2.70466 TIMING: 1930400 CPU: 6160.94, 0.00320368/step Wall: 6160.94, 0.00320368/step, 2.73167 hours remaining, 240.039062 MB of memory in use. ENERGY: 1930400 3934.0223 20472.6126 14390.7956 253.4772 -203257.3802 2801.2854 0.0000 0.0000 52100.4161 -109304.7711 299.4218 -161405.1871 -108949.8848 299.3634 48.8359 72.8323 761279.7286 10.8080 10.7769 PRESSURE: 1930600 132.226 3.5811 -117.654 3.58099 227.358 -67.0678 -117.655 -67.0689 183.303 GPRESSURE: 1930600 238.852 118.734 -23.3207 126.179 258.361 -47.7494 -126.989 8.61661 130.211 PRESSAVG: 1930600 67.0198 59.7082 39.789 59.7082 -40.5509 21.0122 39.789 21.0122 2.18306 GPRESSAVG: 1930600 67.2852 58.8403 41.3802 59.8326 -40.1983 21.6111 38.6414 21.5793 0.730476 TIMING: 1930600 CPU: 6161.57, 0.00317575/step Wall: 6161.57, 0.00317575/step, 2.70768 hours remaining, 240.039062 MB of memory in use. ENERGY: 1930600 4059.5470 20555.1209 14486.1593 262.8409 -203298.5540 2686.7062 0.0000 0.0000 52176.6278 -109071.5519 299.8598 -161248.1797 -108696.8279 300.0082 180.9621 209.1414 760717.0484 9.5507 9.2725 PRESSURE: 1930800 495.679 0.502553 177.2 0.502347 -380.058 102.905 177.2 102.904 114.065 GPRESSURE: 1930800 464.782 -42.0497 189.385 9.73136 -283.54 24.8663 163.723 -68.7166 133.465 PRESSAVG: 1930800 39.1174 -0.0380002 0.802631 -0.0380924 -58.8392 -26.371 0.802613 -26.3709 -31.8597 GPRESSAVG: 1930800 38.5367 0.814682 -1.13176 -0.233391 -57.4355 -26.4239 1.95613 -28.6447 -32.4159 TIMING: 1930800 CPU: 6162.21, 0.00318657/step Wall: 6162.21, 0.00318657/step, 2.71673 hours remaining, 240.039062 MB of memory in use. ENERGY: 1930800 4063.0343 20609.4027 14498.4140 262.7923 -202815.0222 2472.6935 0.0000 0.0000 52047.1863 -108861.4990 299.1159 -160908.6853 -108498.6613 299.6954 76.5621 104.9022 762082.7391 -17.1938 -17.1049 PRESSURE: 1931000 -65.8351 -295.155 -15.2644 -295.155 71.1692 -76.8845 -15.2638 -76.8832 104.094 GPRESSURE: 1931000 -105.02 -226.063 6.71128 -269.462 127.082 -96.6414 -28.2977 -109.923 163.22 PRESSAVG: 1931000 96.0214 -32.52 -7.21339 -32.5201 -72.4897 0.33544 -7.21338 0.335412 28.6157 GPRESSAVG: 1931000 95.4956 -31.1692 -9.3352 -33.5545 -74.1983 -0.72323 -6.62463 1.7259 30.9081 TIMING: 1931000 CPU: 6162.85, 0.0031945/step Wall: 6162.85, 0.0031945/step, 2.72331 hours remaining, 240.039062 MB of memory in use. ENERGY: 1931000 3968.9308 20825.4390 14464.3635 233.0811 -203008.7375 2631.0452 0.0000 0.0000 52335.8454 -108550.0326 300.7748 -160885.8779 -108201.7424 300.5946 36.4760 61.7605 761197.5233 17.3825 17.4018 PRESSURE: 1931200 152.084 -18.3916 24.4746 -18.3915 109.507 -4.58402 24.4745 -4.5845 72.8494 GPRESSURE: 1931200 231.507 42.791 56.4962 -16.3604 136.919 -2.20079 43.7234 -9.14249 29.8761 PRESSAVG: 1931200 37.9438 -100.487 -15.7195 -100.487 -35.3176 -5.33339 -15.7195 -5.33342 5.34271 GPRESSAVG: 1931200 38.4454 -102.663 -13.6454 -99.8169 -34.8458 -4.20749 -17.0749 -5.8112 4.45504 TIMING: 1931200 CPU: 6163.48, 0.00317861/step Wall: 6163.48, 0.00317861/step, 2.70959 hours remaining, 240.039062 MB of memory in use. ENERGY: 1931200 3972.1947 20781.6997 14462.2830 255.9915 -202849.3526 2676.6508 0.0000 0.0000 52175.5149 -108525.0181 299.8534 -160700.5329 -108172.1197 301.1083 111.4800 132.7673 761047.1627 2.6563 2.6849 PRESSURE: 1931400 8.53929 -27.7717 21.9636 -27.7717 153.959 -118.004 21.9634 -118.005 274.969 GPRESSURE: 1931400 24.2397 -6.27611 -47.9796 -22.5639 243.198 -78.015 19.0553 72.6205 288.286 PRESSAVG: 1931400 12.5617 -30.7108 -36.274 -30.7107 -32.895 7.03283 -36.274 7.03281 -18.4327 GPRESSAVG: 1931400 12.7488 -31.9861 -36.1625 -31.0838 -32.7243 7.43867 -36.7944 9.17043 -19.2096 TIMING: 1931400 CPU: 6164.12, 0.00317959/step Wall: 6164.12, 0.00317959/step, 2.71025 hours remaining, 240.039062 MB of memory in use. ENERGY: 1931400 4030.7991 20537.2745 14489.6132 223.7964 -202976.7732 2921.2213 0.0000 0.0000 52187.9530 -108586.1157 299.9249 -160774.0687 -108228.5822 300.9043 145.8226 185.2411 764374.1168 -12.9220 -13.0617 PRESSURE: 1931600 158.617 2.47792 -123.654 2.47835 -122.265 -188.955 -123.655 -188.955 -137.9 GPRESSURE: 1931600 73.318 -36.9959 -127.481 -42.5834 19.008 -88.5431 -123.1 -229.301 -113.872 PRESSAVG: 1931600 -6.35092 -29.7546 11.0418 -29.7546 24.8919 20.2593 11.0418 20.2593 20.9998 GPRESSAVG: 1931600 -8.10874 -30.0556 11.0077 -29.6437 24.8797 20.2365 12.024 20.4016 22.5277 TIMING: 1931600 CPU: 6164.76, 0.00317698/step Wall: 6164.76, 0.00317698/step, 2.70784 hours remaining, 240.039062 MB of memory in use. ENERGY: 1931600 3948.2211 20551.0150 14510.3794 233.1335 -202912.4325 2683.6298 0.0000 0.0000 52508.9315 -108477.1222 301.7696 -160986.0537 -108096.7792 300.9334 -33.8492 -7.1819 763249.9906 13.1802 13.0996 PRESSURE: 1931800 -392.199 -148.267 -119.289 -148.267 -515.785 161.564 -119.289 161.564 -180.853 GPRESSURE: 1931800 -412.014 -118.951 -103.119 -54.0473 -391.358 68.6636 -309.164 170.21 -186.037 PRESSAVG: 1931800 -41.4264 -47.1804 1.93052 -47.1804 32.8239 0.0344209 1.93061 0.0344627 8.61983 GPRESSAVG: 1931800 -41.3155 -43.2701 2.33296 -48.8904 32.0882 0.205665 1.81972 -1.21087 9.08865 TIMING: 1931800 CPU: 6165.39, 0.00318707/step Wall: 6165.39, 0.00318707/step, 2.71627 hours remaining, 240.039062 MB of memory in use. ENERGY: 1931800 4035.5078 20423.0856 14499.1511 256.7087 -201967.5842 1877.1169 0.0000 0.0000 52493.2692 -108382.7448 301.6795 -160876.0140 -108008.4510 300.8773 -362.9459 -329.8029 764327.1712 0.0058 -0.0462 PRESSURE: 1932000 -302.668 100.883 -62.1991 100.884 -213.186 -1.23627 -62.1993 -1.23625 -142.949 GPRESSURE: 1932000 -306.037 105.403 -26.0303 64.9072 -181.254 -14.0719 -41.5872 -58.3609 -79.8706 PRESSAVG: 1932000 -29.3446 13.8831 26.3416 13.8832 12.7899 40.4855 26.3415 40.4855 -10.944 GPRESSAVG: 1932000 -28.2379 11.6265 26.6614 14.5975 12.4188 40.74 25.1765 39.6332 -12.1933 TIMING: 1932000 CPU: 6166.03, 0.00318297/step Wall: 6166.03, 0.00318297/step, 2.7126 hours remaining, 240.039062 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: 1932000 4009.8059 20652.0066 14442.9237 249.4307 -202371.2577 2320.3561 0.0000 0.0000 52324.4573 -108372.2776 300.7094 -160696.7348 -108018.9135 300.7843 -219.6012 -189.0539 763324.6578 -9.1662 -9.3374 PRESSURE: 1932200 -364.472 -56.9114 370.204 -56.9114 -517.096 182.53 370.204 182.528 -193.423 GPRESSURE: 1932200 -307.166 28.4986 371.521 -149.258 -482.785 194.286 233.059 168.739 -193.307 PRESSAVG: 1932200 45.839 -17.7251 68.7617 -17.7252 -50.4657 32.1353 68.7617 32.1352 -1.11021 GPRESSAVG: 1932200 44.2437 -18.5735 68.0703 -17.2108 -49.1276 31.1769 70.2549 32.2644 -0.77186 TIMING: 1932200 CPU: 6166.67, 0.00319353/step Wall: 6166.67, 0.00319353/step, 2.72142 hours remaining, 240.039062 MB of memory in use. ENERGY: 1932200 4016.9107 20705.3933 14440.6849 259.7610 -202698.4330 2493.2919 0.0000 0.0000 52241.3402 -108541.0511 300.2317 -160782.3913 -108175.6526 300.8951 -358.3305 -327.7527 764324.0920 -1.9123 -1.8853 LDB: ============= START OF LOAD BALANCING ============== 6179.13 LDB: ============== END OF LOAD BALANCING =============== 6179.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6179.13 LDB: ============= START OF LOAD BALANCING ============== 6179.45 LDB: Largest compute 7034 load 0.036953 is 18.9% of average load 0.195133 LDB: Average compute 0.004388 is 2.2% of average load 0.195133 LDB: TIME 6179.45 LOAD: AVG 0.195133 MAX 0.214641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.07 MB LDB: TIME 6179.46 LOAD: AVG 0.195133 MAX 0.214641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: TIME 6179.46 LOAD: AVG 0.195133 MAX 0.214641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: ============== END OF LOAD BALANCING =============== 6179.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6179.46 PRESSURE: 1932400 266.914 -154.474 -133.07 -154.475 134.719 -173.338 -133.069 -173.338 -341.728 GPRESSURE: 1932400 311.216 -77.8258 -143.747 -158.189 162.744 -171.99 -60.2728 -198.212 -311.741 PRESSAVG: 1932400 61.7335 -43.4182 8.89929 -43.4182 -51.3312 -10.3849 8.89921 -10.385 2.23586 GPRESSAVG: 1932400 63.7081 -42.2185 9.12896 -41.1507 -51.9346 -12.0677 7.23684 -9.98074 1.3528 TIMING: 1932400 CPU: 6167.33, 0.00329045/step Wall: 6167.33, 0.00329045/step, 2.80383 hours remaining, 239.835938 MB of memory in use. ENERGY: 1932400 4048.8344 20635.3023 14459.4878 275.7286 -202815.5250 2747.1904 0.0000 0.0000 51960.9547 -108688.0269 298.6203 -160648.9816 -108337.1655 299.9187 19.9685 54.0731 764741.2789 4.2127 4.3754 PRESSURE: 1932600 -76.9098 -48.0348 -23.9896 -48.035 -333.882 212.71 -23.9903 212.71 21.8047 GPRESSURE: 1932600 -190.165 9.29618 -99.2421 9.2576 -257.936 250.593 29.9457 304.208 137.218 PRESSAVG: 1932600 -12.9972 48.7275 -25.6887 48.7274 -4.87346 64.0174 -25.6887 64.0175 6.91945 GPRESSAVG: 1932600 -13.0337 48.4813 -24.7687 46.7828 -5.23046 66.1357 -24.082 64.6752 7.91706 TIMING: 1932600 CPU: 6167.96, 0.00319009/step Wall: 6167.96, 0.00319009/step, 2.71813 hours remaining, 240.039062 MB of memory in use. ENERGY: 1932600 4052.6059 20684.5755 14541.1781 244.2565 -202930.8859 2600.0960 0.0000 0.0000 51990.5591 -108817.6147 298.7905 -160808.1738 -108464.4730 300.0366 -129.6625 -103.6274 763894.9641 -3.6504 -3.4490 PRESSURE: 1932800 117.834 -141.839 156.66 -141.839 -222.962 -206.111 156.659 -206.111 63.9042 GPRESSURE: 1932800 278.124 -61.6294 164.142 -22.856 -221.642 -258.934 20.0905 -37.3279 0.753003 PRESSAVG: 1932800 53.9249 -2.01471 6.04409 -2.01464 -42.3585 -34.1736 6.04399 -34.1735 14.9506 GPRESSAVG: 1932800 54.2807 -0.414354 5.91612 -0.202064 -42.5895 -34.0394 3.281 -34.086 14.3227 TIMING: 1932800 CPU: 6168.61, 0.00321046/step Wall: 6168.61, 0.00321046/step, 2.73531 hours remaining, 240.039062 MB of memory in use. ENERGY: 1932800 3969.2736 20489.1132 14472.2095 228.7823 -202800.7248 2700.4470 0.0000 0.0000 52005.7784 -108935.1207 298.8779 -160940.8991 -108573.6281 299.6290 -13.7412 19.0783 764291.7299 8.8390 8.6713 PRESSURE: 1933000 -201.831 -223.788 73.2806 -223.788 10.1923 -6.17448 73.2802 -6.17453 316.941 GPRESSURE: 1933000 -141.16 -190.831 5.50425 -330.445 -36.5967 -0.113482 167.747 -18.0087 371.835 PRESSAVG: 1933000 13.4484 -39.9083 -61.8958 -39.9082 -38.365 18.7714 -61.8958 18.7714 9.21285 GPRESSAVG: 1933000 12.6213 -40.891 -62.9384 -39.1128 -38.3758 18.8075 -61.0126 17.603 10.1186 TIMING: 1933000 CPU: 6169.25, 0.00319737/step Wall: 6169.25, 0.00319737/step, 2.72398 hours remaining, 240.039062 MB of memory in use. ENERGY: 1933000 4054.2700 20690.4442 14362.0382 258.3308 -203020.2433 2801.1599 0.0000 0.0000 52098.7542 -108755.2460 299.4123 -160854.0002 -108400.1861 299.9781 41.7675 64.6926 764443.3528 -5.2346 -5.2120 PRESSURE: 1933200 -106.492 -177.208 -206.435 -177.209 53.2567 108.656 -206.435 108.654 215.396 GPRESSURE: 1933200 -81.5087 -112.77 -172.183 -142.777 61.3557 139.23 -305.818 -165.785 277.605 PRESSAVG: 1933200 10.26 -21.0911 12.6469 -21.0911 11.0902 35.7737 12.6469 35.7738 1.49623 GPRESSAVG: 1933200 10.1227 -22.4435 13.1075 -22.5625 11.0575 34.1673 13.2666 36.6018 1.86958 TIMING: 1933200 CPU: 6169.89, 0.00320487/step Wall: 6169.89, 0.00320487/step, 2.73019 hours remaining, 240.039062 MB of memory in use. ENERGY: 1933200 4015.9488 20595.6716 14450.9849 251.5362 -202633.8511 2445.8102 0.0000 0.0000 52240.8343 -108633.0650 300.2288 -160873.8992 -108282.3258 300.6088 54.0535 85.8174 763877.0440 7.6155 7.6833 PRESSURE: 1933400 42.7907 -35.059 -140.427 -35.0594 83.1769 14.7998 -140.427 14.8005 -504.352 GPRESSURE: 1933400 95.4497 24.5154 -44.6321 45.3214 84.5206 34.826 -183.183 -77.4345 -485.821 PRESSAVG: 1933400 -16.0381 13.0268 -19.7953 13.0268 -9.91307 -4.90466 -19.7952 -4.90469 1.65059 GPRESSAVG: 1933400 -14.387 14.0393 -20.6485 12.1981 -10.0067 -4.00172 -18.4385 -5.33863 0.52638 TIMING: 1933400 CPU: 6170.52, 0.00318581/step Wall: 6170.52, 0.00318581/step, 2.71378 hours remaining, 240.039062 MB of memory in use. ENERGY: 1933400 4021.1548 20635.3722 14464.3236 236.6567 -202962.6767 2656.6967 0.0000 0.0000 52321.5511 -108626.9217 300.6927 -160948.4727 -108272.4975 300.4559 -126.1282 -101.9501 762887.5219 -8.1002 -7.9558 PRESSURE: 1933600 -0.324766 27.5733 -28.9912 27.5732 -35.6694 51.9849 -28.9922 51.9838 69.8505 GPRESSURE: 1933600 -49.7173 -44.9913 -90.3364 23.3149 -13.2004 -14.3979 -28.7772 216.611 169.466 PRESSAVG: 1933600 51.0123 8.76942 -6.09757 8.76939 -43.0067 -18.9064 -6.09751 -18.9064 1.35756 GPRESSAVG: 1933600 49.8348 6.1654 -6.84286 9.04961 -41.7601 -18.4069 -7.27964 -19.48 1.27043 TIMING: 1933600 CPU: 6171.16, 0.00319169/step Wall: 6171.16, 0.00319169/step, 2.71861 hours remaining, 240.039062 MB of memory in use. ENERGY: 1933600 4016.2090 20691.7352 14436.2664 259.4326 -203087.3633 2435.6267 0.0000 0.0000 52440.1429 -108807.9504 301.3742 -161248.0933 -108440.2588 300.0893 11.2854 35.5162 760443.9440 3.1210 3.1150 PRESSURE: 1933800 -233.199 -170.799 -192.604 -170.798 -109.937 58.8822 -192.603 58.8824 -378.192 GPRESSURE: 1933800 -113.746 12.6986 -82.0811 -198.16 -217.043 20.7319 -99.7188 -64.7477 -314.165 PRESSAVG: 1933800 26.2272 40.4029 -1.51136 40.403 3.24042 -32.8741 -1.51139 -32.874 -20.3117 GPRESSAVG: 1933800 26.958 43.0044 -0.277976 39.2098 1.3242 -34.0914 -0.914941 -31.5195 -19.0861 TIMING: 1933800 CPU: 6171.8, 0.00320777/step Wall: 6171.8, 0.00320777/step, 2.73213 hours remaining, 240.039062 MB of memory in use. ENERGY: 1933800 4014.9525 20700.0667 14441.0701 256.1342 -203009.1051 2541.8393 0.0000 0.0000 52160.6357 -108894.4067 299.7679 -161055.0424 -108548.6875 300.5780 -240.4424 -214.9849 760381.6010 3.0520 3.0653 PRESSURE: 1934000 -228.714 -39.4083 -163.632 -39.4084 -430.229 250.944 -163.632 250.943 30.1705 GPRESSURE: 1934000 -230.527 -89.2466 -242.532 -97.0191 -361.237 248.603 -140.125 173.359 68.5442 PRESSAVG: 1934000 -9.38008 -2.77126 -57.9516 -2.77127 -2.95106 35.3352 -57.9517 35.3352 -3.52711 GPRESSAVG: 1934000 -11.2068 -1.4461 -57.4286 -2.91096 -1.23096 35.0839 -60.7581 35.2224 -3.48231 TIMING: 1934000 CPU: 6172.44, 0.00320303/step Wall: 6172.44, 0.00320303/step, 2.72791 hours remaining, 240.039062 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: 1934000 4067.0190 20519.9300 14506.1955 243.5017 -202875.6268 2398.6495 0.0000 0.0000 52198.0217 -108942.3093 299.9827 -161140.3311 -108573.5694 300.2753 -209.5907 -174.4065 761213.5192 -5.2861 -5.3067 PRESSURE: 1934200 565.025 31.7431 27.9989 31.7425 98.4936 -29.0984 27.9993 -29.0976 145.847 GPRESSURE: 1934200 555.935 -27.6848 42.1999 34.1933 166.078 -132.59 23.9346 -122.013 179.578 PRESSAVG: 1934200 47.7988 -19.4182 -35.1945 -19.4182 -40.335 56.1768 -35.1945 56.1767 -0.602252 GPRESSAVG: 1934200 49.9904 -20.555 -35.8217 -16.9573 -41.7078 56.9748 -32.6513 57.0058 -1.83324 TIMING: 1934200 CPU: 6173.08, 0.00319787/step Wall: 6173.08, 0.00319787/step, 2.72334 hours remaining, 240.039062 MB of memory in use. ENERGY: 1934200 4021.1578 20621.4490 14505.8834 243.2256 -203114.2034 2667.8480 0.0000 0.0000 52160.7209 -108893.9188 299.7684 -161054.6397 -108532.3891 300.2343 269.7886 300.5304 763064.9028 2.2872 2.1498 PRESSURE: 1934400 421.314 -26.1064 142.396 -26.1068 332.931 202.631 142.397 202.63 82.4108 GPRESSURE: 1934400 445.228 45.3685 144.258 -206.473 372.619 145.098 36.5477 111.83 137.075 PRESSAVG: 1934400 -22.2602 -41.6719 -5.8806 -41.6719 1.35575 72.0826 -5.88054 72.0826 1.06944 GPRESSAVG: 1934400 -22.0021 -39.7719 -6.81064 -45.0054 1.79922 74.3331 -7.50967 69.2694 0.828153 TIMING: 1934400 CPU: 6173.72, 0.00319985/step Wall: 6173.72, 0.00319985/step, 2.72485 hours remaining, 240.039062 MB of memory in use. ENERGY: 1934400 3998.8575 20595.3446 14473.6567 237.2927 -203307.9955 2862.6925 0.0000 0.0000 52245.3422 -108894.8093 300.2547 -161140.1516 -108538.6532 299.6952 278.8851 318.3075 761599.8865 -6.6117 -6.4583 PRESSURE: 1934600 517.183 -4.53514 4.67685 -4.53528 -58.4335 21.4103 4.67783 21.4098 70.7307 GPRESSURE: 1934600 436.447 -120.34 -45.9046 -49.6199 52.0801 -37.947 19.2048 122.441 131.545 PRESSAVG: 1934600 4.67739 32.272 -26.9595 32.272 -5.37655 32.2307 -26.9595 32.2306 -1.69004 GPRESSAVG: 1934600 4.04164 29.8957 -25.2002 33.7844 -5.72963 29.7667 -28.2115 32.9886 -0.906278 TIMING: 1934600 CPU: 6174.36, 0.00316567/step Wall: 6174.36, 0.00316567/step, 2.69557 hours remaining, 240.039062 MB of memory in use. ENERGY: 1934600 3962.3711 20454.2760 14473.1182 250.8163 -203305.0568 2851.2754 0.0000 0.0000 52445.8675 -108867.3324 301.4071 -161313.1998 -108492.0789 300.0740 176.4933 206.6905 762681.7483 -0.7964 -0.8648 PRESSURE: 1934800 99.7451 113.163 -60.0006 113.164 -38.8434 6.93886 -60.0008 6.93823 302.533 GPRESSURE: 1934800 101.696 54.9163 -92.8597 60.3257 0.763909 10.2543 -48.4588 62.575 341.405 PRESSAVG: 1934800 24.1186 6.07026 -59.886 6.07021 22.3371 -13.1721 -59.886 -13.1721 7.30258 GPRESSAVG: 1934800 23.9311 5.401 -60.5018 8.20348 22.9019 -13.9248 -57.1447 -12.9898 6.87042 TIMING: 1934800 CPU: 6174.99, 0.00318635/step Wall: 6174.99, 0.00318635/step, 2.713 hours remaining, 240.039062 MB of memory in use. ENERGY: 1934800 4004.0674 20548.7479 14418.0755 248.3081 -202863.4906 2612.4164 0.0000 0.0000 52345.8238 -108686.0516 300.8322 -161031.8754 -108331.8822 300.1531 121.1449 147.9551 763192.7742 17.9194 17.9011 PRESSURE: 1935000 17.3199 32.0973 181.143 32.0967 -153.539 166.833 181.143 166.832 304.582 GPRESSURE: 1935000 103.763 -40.8263 77.2887 97.161 -166.638 136.856 140.928 200.5 311.134 PRESSAVG: 1935000 47.2282 5.60517 -60.1987 5.60511 34.023 24.6828 -60.1988 24.6827 -8.23026 GPRESSAVG: 1935000 46.5425 6.10227 -60.4596 4.45341 33.7855 25.5115 -62.313 24.0903 -7.25418 TIMING: 1935000 CPU: 6175.63, 0.00316942/step Wall: 6175.63, 0.00316942/step, 2.69841 hours remaining, 240.039062 MB of memory in use. ENERGY: 1935000 4041.6315 20535.5865 14440.2989 244.2871 -202759.3941 2455.0320 0.0000 0.0000 52392.0168 -108650.5412 301.0976 -161042.5580 -108282.1214 300.4608 56.1211 82.7530 761944.5629 24.3403 24.3580 PRESSURE: 1935200 40.6274 -98.1865 -183.346 -98.1874 -4.68402 -3.24819 -183.347 -3.24806 -34.8218 GPRESSURE: 1935200 -8.9631 -148.244 -113.643 -105.606 98.5804 51.5078 -268.019 -60.6807 -9.23932 PRESSAVG: 1935200 -15.3614 -33.4364 -59.3181 -33.4364 -7.96537 26.1799 -59.3181 26.18 -13.42 GPRESSAVG: 1935200 -15.7515 -31.6027 -58.659 -33.5185 -7.2368 27.003 -58.9158 28.3532 -13.7781 TIMING: 1935200 CPU: 6176.27, 0.00321239/step Wall: 6176.27, 0.00321239/step, 2.73482 hours remaining, 240.039062 MB of memory in use. ENERGY: 1935200 3981.3605 20561.3791 14471.8887 246.4281 -202411.7425 2316.2877 0.0000 0.0000 52214.3885 -108620.0100 300.0768 -160834.3984 -108254.0226 300.3995 0.3739 26.7927 762811.4952 -12.2489 -12.2554 PRESSURE: 1935400 -375.805 239.203 -136.44 239.203 -212.543 151.421 -136.44 151.42 134.355 GPRESSURE: 1935400 -304.867 250.859 -168.842 229.888 -152.624 248.352 -157.836 104.192 85.7208 PRESSAVG: 1935400 38.438 7.78292 -46.0689 7.78282 -35.1271 3.81428 -46.0689 3.81431 25.0535 GPRESSAVG: 1935400 38.9886 6.94462 -45.6627 8.58609 -36.3789 2.44832 -46.9198 3.12963 25.2404 TIMING: 1935400 CPU: 6176.91, 0.003184/step Wall: 6176.91, 0.003184/step, 2.71047 hours remaining, 240.039062 MB of memory in use. ENERGY: 1935400 3990.9497 20528.2962 14464.2648 250.6215 -202544.0851 2212.9752 0.0000 0.0000 52455.0305 -108641.9471 301.4598 -161096.9776 -108286.2625 300.6636 -151.3311 -123.9234 761881.4043 9.4548 9.2834 PRESSURE: 1935600 122.244 -17.5824 -71.8524 -17.5826 -81.8752 -33.9447 -71.8523 -33.9455 -238.499 GPRESSURE: 1935600 149.037 -95.3562 -34.4268 14.7156 -44.6295 -11.831 78.4288 150.516 -202.577 PRESSAVG: 1935600 45.8998 -30.9642 -48.0675 -30.9642 -36.7008 21.1892 -48.0675 21.1891 6.11321 GPRESSAVG: 1935600 44.7109 -30.6933 -48.5625 -32.2241 -35.7612 21.8316 -47.6981 23.0595 6.63095 TIMING: 1935600 CPU: 6177.54, 0.00316833/step Wall: 6177.54, 0.00316833/step, 2.69695 hours remaining, 240.039062 MB of memory in use. ENERGY: 1935600 3996.4454 20334.8740 14485.4098 263.4071 -202619.2472 2285.7294 0.0000 0.0000 52400.6031 -108852.7784 301.1470 -161253.3815 -108487.2835 300.3317 -66.0433 -32.7232 761981.9046 5.1041 5.1935 PRESSURE: 1935800 94.7681 -98.4594 -171.26 -98.4595 37.1574 -37.2543 -171.26 -37.2551 200.427 GPRESSURE: 1935800 200.564 -160.784 -160.006 -136.317 18.7181 19.2782 -86.2304 10.6632 214.634 PRESSAVG: 1935800 -9.75118 -51.2468 -31.915 -51.2468 42.9399 -4.63995 -31.9151 -4.63996 7.54567 GPRESSAVG: 1935800 -8.75708 -51.8049 -31.0403 -51.6861 41.8532 -4.17558 -31.1326 -7.14305 7.54388 TIMING: 1935800 CPU: 6178.19, 0.00323103/step Wall: 6178.19, 0.00323103/step, 2.75015 hours remaining, 240.039062 MB of memory in use. ENERGY: 1935800 4019.0270 20406.8517 14484.5641 228.7084 -202830.2507 2641.5331 0.0000 0.0000 52131.5234 -108918.0431 299.6006 -161049.5665 -108559.9319 300.4257 110.7842 144.6388 763380.2297 13.5781 13.5467 PRESSURE: 1936000 264.016 -371.837 -176.232 -371.838 151.417 -128.822 -176.233 -128.823 396.953 GPRESSURE: 1936000 282.634 -340.814 -111.173 -262.889 288.414 -64.9562 -240.44 -106.058 339.161 PRESSAVG: 1936000 -2.40764 -17.2274 -28.4301 -17.2274 -5.11103 -5.73496 -28.4301 -5.73497 -28.1996 GPRESSAVG: 1936000 -2.32141 -20.7823 -29.4524 -15.2907 -4.30177 -6.31316 -29.5536 -3.08176 -28.9761 TIMING: 1936000 CPU: 6178.83, 0.00320402/step Wall: 6178.83, 0.00320402/step, 2.72697 hours remaining, 240.039062 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: 1936000 3983.7092 20406.4463 14386.3748 238.3822 -203354.7288 3106.6383 0.0000 0.0000 52351.5701 -108881.6080 300.8652 -161233.1781 -108514.4610 300.2296 270.7952 303.4029 761600.9051 -11.9061 -11.8664 PRESSURE: 1936200 190.685 -237.113 111.727 -237.114 353.356 14.335 111.727 14.3349 414.577 GPRESSURE: 1936200 269.14 -197.463 202.939 13.6065 364.503 58.5973 89.5705 135.868 380.3 PRESSAVG: 1936200 -1.67125 0.521212 -29.134 0.521246 29.7206 -19.8675 -29.134 -19.8675 -4.40129 GPRESSAVG: 1936200 -1.38936 4.72331 -27.6427 -0.837581 29.798 -18.7752 -28.9525 -22.723 -4.17851 TIMING: 1936200 CPU: 6179.47, 0.00318641/step Wall: 6179.47, 0.00318641/step, 2.71181 hours remaining, 240.039062 MB of memory in use. ENERGY: 1936200 3916.2852 20729.6161 14526.0717 245.9609 -203181.4354 2733.6429 0.0000 0.0000 52293.6529 -108736.2058 300.5323 -161029.8586 -108380.8039 300.1921 319.5392 337.9812 762895.4237 7.8827 8.0767 LDB: ============= START OF LOAD BALANCING ============== 6191.92 LDB: ============== END OF LOAD BALANCING =============== 6191.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6191.92 LDB: ============= START OF LOAD BALANCING ============== 6192.24 LDB: Largest compute 7070 load 0.037958 is 19.5% of average load 0.195122 LDB: Average compute 0.004408 is 2.3% of average load 0.195122 LDB: TIME 6192.24 LOAD: AVG 0.195122 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 6192.24 LOAD: AVG 0.195122 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 6192.24 LOAD: AVG 0.195122 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 6192.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6192.25 PRESSURE: 1936400 -58.5145 -177.15 -93.9063 -177.151 54.128 -189.92 -93.9065 -189.918 6.21299 GPRESSURE: 1936400 -49.1927 -173.957 -33.0834 -14.9407 22.7346 -170.528 56.0914 -172.472 90.0616 PRESSAVG: 1936400 33.0787 2.40467 -41.2587 2.40469 -45.145 -45.1988 -41.2587 -45.1988 -23.535 GPRESSAVG: 1936400 31.4316 1.89884 -41.4854 3.30198 -44.729 -46.9001 -41.7521 -44.4226 -22.5385 TIMING: 1936400 CPU: 6180.11, 0.00323348/step Wall: 6180.11, 0.00323348/step, 2.75169 hours remaining, 241.375000 MB of memory in use. ENERGY: 1936400 4005.2872 20607.3089 14557.6032 246.2377 -202968.5871 2657.1111 0.0000 0.0000 52303.1802 -108591.8587 300.5871 -160895.0388 -108228.5139 300.3154 0.6088 21.2012 761313.1331 -11.8671 -11.9453 PRESSURE: 1936600 -109.16 22.4901 63.2394 22.4911 -146.073 238.305 63.2398 238.306 -50.2713 GPRESSURE: 1936600 -129.54 -17.4241 98.7016 -69.7615 -50.4164 199.272 -2.23405 264.971 -28.2283 PRESSAVG: 1936600 -24.0582 -32.3141 -25.6368 -32.3141 14.2644 -30.5225 -25.6368 -30.5226 -14.9236 GPRESSAVG: 1936600 -22.7121 -35.7137 -25.4743 -33.0717 14.7687 -29.6284 -24.5112 -28.1818 -16.163 TIMING: 1936600 CPU: 6180.75, 0.00316556/step Wall: 6180.75, 0.00316556/step, 2.69372 hours remaining, 241.578125 MB of memory in use. ENERGY: 1936600 4035.4510 20505.9708 14435.1988 236.4809 -202653.0619 2540.3892 0.0000 0.0000 52078.5760 -108820.9953 299.2963 -160899.5713 -108453.3234 300.0575 -101.8345 -69.3948 762630.2374 -8.2392 -8.0355 PRESSURE: 1936800 22.4786 160.818 -101.093 160.818 347.565 -44.0715 -101.094 -44.0717 -69.1008 GPRESSURE: 1936800 63.1028 86.5849 -35.1342 44.2542 317.624 -84.7798 -21.3989 -104.19 6.69908 PRESSAVG: 1936800 -23.6499 26.1218 39.9955 26.1218 56.5142 28.0069 39.9956 28.0069 -1.10139 GPRESSAVG: 1936800 -23.291 29.0404 40.137 24.8553 55.7812 25.4901 41.268 25.1316 -0.614744 TIMING: 1936800 CPU: 6181.38, 0.00315578/step Wall: 6181.38, 0.00315578/step, 2.68522 hours remaining, 241.578125 MB of memory in use. ENERGY: 1936800 3976.8015 20563.1649 14466.3173 242.3926 -202940.1211 2641.6852 0.0000 0.0000 52074.4571 -108975.3024 299.2726 -161049.7595 -108616.1475 300.1910 100.3143 129.1421 762022.7094 10.5876 10.6252 PRESSURE: 1937000 -0.150278 90.0515 -12.0267 90.051 98.2646 -35.3168 -12.0264 -35.316 174.889 GPRESSURE: 1937000 -100.344 149.676 -125.45 33.7979 220.885 34.5751 -59.5687 -7.46616 216.481 PRESSAVG: 1937000 -48.2933 -28.8826 -12.1118 -28.8825 53.3217 -44.4252 -12.1117 -44.4252 18.8683 GPRESSAVG: 1937000 -49.5068 -29.4969 -14.0789 -28.9518 53.695 -42.6559 -12.4649 -43.6599 19.1692 TIMING: 1937000 CPU: 6182.01, 0.00316477/step Wall: 6182.01, 0.00316477/step, 2.6927 hours remaining, 241.578125 MB of memory in use. ENERGY: 1937000 3969.9939 20523.6039 14492.8108 237.7259 -202837.7356 2361.0661 0.0000 0.0000 52198.1282 -109054.4069 299.9834 -161252.5351 -108701.1579 299.6366 91.0013 112.3404 763556.5033 7.9656 7.7858 PRESSURE: 1937200 -38.0147 -94.8846 130.808 -94.8849 20.9939 -68.6628 130.807 -68.6627 117.631 GPRESSURE: 1937200 -32.3688 -117.593 186.584 -138.583 101.305 -48.3908 91.2714 -68.3633 112.326 PRESSAVG: 1937200 -38.2432 -43.8541 23.86 -43.8542 59.6164 -27.4168 23.86 -27.4168 5.02492 GPRESSAVG: 1937200 -37.9083 -41.7785 25.5097 -43.0568 58.8712 -25.3622 22.6907 -26.9762 5.14935 TIMING: 1937200 CPU: 6182.64, 0.00316222/step Wall: 6182.64, 0.00316222/step, 2.69035 hours remaining, 241.578125 MB of memory in use. ENERGY: 1937200 3957.5841 20566.0094 14532.7926 241.8803 -203043.6810 2569.3545 0.0000 0.0000 52104.8368 -109071.2232 299.4472 -161176.0600 -108712.4068 299.0616 33.5368 60.4207 763123.0009 8.7994 8.7041 PRESSURE: 1937400 279.928 -129.371 -450.875 -129.371 158.687 99.3705 -450.875 99.3702 198.093 GPRESSURE: 1937400 357.071 -164.681 -310.682 -152.604 169.16 123.935 -349.917 109.827 206.997 PRESSAVG: 1937400 35.9885 -20.6608 -25.2139 -20.6608 -9.69519 -17.4309 -25.2138 -17.4308 -25.5963 GPRESSAVG: 1937400 36.1277 -23.2744 -24.2284 -19.3082 -9.1694 -19.6411 -24.1604 -17.5574 -25.4004 TIMING: 1937400 CPU: 6183.28, 0.00316782/step Wall: 6183.28, 0.00316782/step, 2.69494 hours remaining, 241.578125 MB of memory in use. ENERGY: 1937400 4012.5248 20484.4015 14453.0120 237.2581 -203137.3877 2760.6932 0.0000 0.0000 52172.6419 -109016.8561 299.8369 -161189.4981 -108653.5864 299.6108 212.2361 244.4092 762823.5623 0.2323 0.5193 PRESSURE: 1937600 -261.276 -132.259 -81.6285 -132.259 -157.459 38.124 -81.6281 38.1246 161.318 GPRESSURE: 1937600 -177.321 -163.698 -24.1358 -175.431 -138.073 53.0844 -71.534 -15.8396 133.468 PRESSAVG: 1937600 -20.7176 -55.5362 -14.8932 -55.5362 27.8153 -20.7614 -14.8932 -20.7615 -2.1154 GPRESSAVG: 1937600 -21.2035 -56.0719 -15.7603 -55.1191 28.4019 -20.1828 -16.9815 -22.3531 -2.10979 TIMING: 1937600 CPU: 6183.91, 0.0031756/step Wall: 6183.91, 0.0031756/step, 2.70138 hours remaining, 241.578125 MB of memory in use. ENERGY: 1937600 4001.4416 20408.8884 14439.1589 244.3966 -202553.3240 2378.5412 0.0000 0.0000 51950.9875 -109129.9098 298.5630 -161080.8973 -108755.1472 299.1161 -85.8055 -60.6423 763362.5679 1.6608 1.6962 PRESSURE: 1937800 -30.3614 123.159 244.961 123.158 54.6128 -225.665 244.961 -225.665 236.994 GPRESSURE: 1937800 11.5811 73.4713 220.273 75.8099 135.802 -363.184 208.394 -158.269 202 PRESSAVG: 1937800 -77.0817 -51.5164 -33.7595 -51.5163 12.9725 -30.8232 -33.7595 -30.8232 14.6602 GPRESSAVG: 1937800 -76.9073 -50.7375 -34.1968 -53.3275 12.1066 -30.2373 -33.9941 -31.0707 14.8839 TIMING: 1937800 CPU: 6184.54, 0.00316114/step Wall: 6184.54, 0.00316114/step, 2.6889 hours remaining, 241.578125 MB of memory in use. ENERGY: 1937800 3972.1934 20352.4261 14522.0881 243.2988 -203180.9843 2843.6704 0.0000 0.0000 52203.7279 -109043.5795 300.0155 -161247.3074 -108672.9597 299.7703 87.0819 116.4610 765153.8600 -16.4830 -16.6389 PRESSURE: 1938000 575.911 -53.3454 -86.8156 -53.3452 273.286 -11.1503 -86.8149 -11.1514 177.284 GPRESSURE: 1938000 513.104 -20.6477 -102.07 -96.4021 398.617 -5.63305 -90.1555 67.3697 188.81 PRESSAVG: 1938000 42.0548 -56.3962 13.938 -56.3962 -69.4885 -16.8894 13.938 -16.8894 -14.7664 GPRESSAVG: 1938000 42.7731 -55.4023 14.4804 -54.3955 -69.5103 -19.0181 14.9251 -14.5148 -15.4884 TIMING: 1938000 CPU: 6185.17, 0.00314453/step Wall: 6185.17, 0.00314453/step, 2.6746 hours remaining, 241.578125 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: 1938000 3964.4350 20326.0704 14499.0960 246.5275 -203111.2826 2884.2695 0.0000 0.0000 52039.6172 -109151.2671 299.0724 -161190.8843 -108792.3229 299.9785 342.1603 366.8434 762922.7031 -14.0667 -14.0752 PRESSURE: 1938200 483.248 89.8034 74.0515 89.8029 359.68 -68.1939 74.0513 -68.1932 40.0539 GPRESSURE: 1938200 496.077 -3.77999 -11.8811 29.2571 379.823 -9.41995 7.27946 46.3835 76.0864 PRESSAVG: 1938200 -2.24573 -62.1822 21.5756 -62.1821 15.2167 -48.6515 21.5757 -48.6516 -9.38833 GPRESSAVG: 1938200 -2.87912 -63.6948 22.013 -63.601 14.4131 -47.9951 21.5086 -49.1355 -8.05093 TIMING: 1938200 CPU: 6185.81, 0.00318425/step Wall: 6185.81, 0.00318425/step, 2.70821 hours remaining, 241.578125 MB of memory in use. ENERGY: 1938200 4025.7406 20366.8169 14435.1968 265.0557 -203325.7891 2873.4588 0.0000 0.0000 52368.6587 -108990.8616 300.9634 -161359.5203 -108628.7561 299.5507 294.3274 317.3289 762136.3048 1.1942 1.1610 PRESSURE: 1938400 -83.5213 -51.6652 -60.8432 -51.6656 -191.676 50.4012 -60.8427 50.401 33.1935 GPRESSURE: 1938400 41.9638 -16.5046 -132.749 -61.5868 -264.761 -97.895 -145.051 158.105 44.5704 PRESSAVG: 1938400 21.6574 25.0043 -0.121706 25.0042 -25.2406 -33.3537 -0.121732 -33.3537 -4.48313 GPRESSAVG: 1938400 22.6402 25.9706 -0.810137 24.5432 -25.3035 -32.3859 0.00646944 -32.8596 -5.13264 TIMING: 1938400 CPU: 6186.45, 0.00318334/step Wall: 6186.45, 0.00318334/step, 2.70726 hours remaining, 241.578125 MB of memory in use. ENERGY: 1938400 3994.1903 20378.6387 14511.5971 232.8479 -203022.1465 2670.8175 0.0000 0.0000 52512.1381 -108721.9168 301.7880 -161234.0549 -108351.7966 300.2356 -80.6678 -59.4089 762921.9984 -2.6888 -2.5986 PRESSURE: 1938600 -216.6 -206.074 37.7606 -206.074 -191.169 103.95 37.7606 103.949 -138.273 GPRESSURE: 1938600 -224.109 -175.635 -13.1784 -165.637 -94.8146 133.419 -36.0121 89.8429 -151.436 PRESSAVG: 1938600 15.3072 -33.2451 -22.2707 -33.2451 23.1435 -2.15158 -22.2706 -2.15162 19.6863 GPRESSAVG: 1938600 16.0427 -33.9703 -21.6015 -30.9892 22.723 -3.06195 -23.1209 -4.89181 19.5067 TIMING: 1938600 CPU: 6187.08, 0.0031697/step Wall: 6187.08, 0.0031697/step, 2.69548 hours remaining, 241.578125 MB of memory in use. ENERGY: 1938600 4027.4233 20612.8093 14489.4218 230.6053 -202682.0623 2418.0774 0.0000 0.0000 52106.4597 -108797.2654 299.4565 -160903.7252 -108431.7312 300.1173 -182.0139 -156.7867 763251.1940 19.3790 19.4242 PRESSURE: 1938800 48.2426 81.4419 28.052 81.4422 249.337 95.8601 28.0514 95.8613 336.468 GPRESSURE: 1938800 38.8993 18.5592 18.6398 43.3907 367.115 56.889 33.8266 111.273 315.966 PRESSAVG: 1938800 -2.58434 -23.7643 19.0477 -23.7643 29.0163 -34.2092 19.0476 -34.2093 -4.61354 GPRESSAVG: 1938800 -4.10109 -22.1405 17.8502 -23.8874 30.0532 -35.5253 22.2729 -33.6775 -3.73776 TIMING: 1938800 CPU: 6187.71, 0.00315055/step Wall: 6187.71, 0.00315055/step, 2.67902 hours remaining, 241.578125 MB of memory in use. ENERGY: 1938800 3874.7603 20381.2342 14512.6466 229.3160 -203256.6723 2877.0445 0.0000 0.0000 52392.7352 -108988.9356 301.1018 -161381.6708 -108626.0956 300.0788 211.3491 240.6602 762189.9020 7.2728 7.4048 PRESSURE: 1939000 291.347 -3.36899 -6.48091 -3.36914 162.622 23.7378 -6.4807 23.7368 -256.535 GPRESSURE: 1939000 406.911 -33.4715 -92.5324 -60.5341 83.0657 65.1705 9.6841 -42.3199 -202.923 PRESSAVG: 1939000 -58.3797 -61.7906 9.71546 -61.7907 44.4036 0.290284 9.71542 0.290268 10.9191 GPRESSAVG: 1939000 -57.9047 -64.0084 11.0214 -63.5612 44.2534 1.09101 5.50011 1.04013 10.4996 TIMING: 1939000 CPU: 6188.34, 0.00317082/step Wall: 6188.34, 0.00317082/step, 2.69608 hours remaining, 241.578125 MB of memory in use. ENERGY: 1939000 3993.8854 20630.1570 14530.0710 230.8430 -203288.8578 2640.3221 0.0000 0.0000 52258.6953 -109004.8840 300.3314 -161263.5793 -108636.2793 300.2149 65.8115 95.6843 761987.4127 -1.0190 -1.0506 PRESSURE: 1939200 -89.7631 13.7934 -170.568 13.7928 -142.983 9.04387 -170.569 9.04311 -87.6572 GPRESSURE: 1939200 -11.2356 15.5143 -113.717 -91.7431 -84.1738 -17.8224 -137.107 83.8293 -139.777 PRESSAVG: 1939200 -19.439 -30.809 27.3874 -30.8089 25.7614 -48.83 27.3874 -48.83 23.3138 GPRESSAVG: 1939200 -19.6958 -30.667 24.6922 -29.0326 25.265 -51.3754 29.9732 -49.9709 23.9193 TIMING: 1939200 CPU: 6188.98, 0.00318388/step Wall: 6188.98, 0.00318388/step, 2.70701 hours remaining, 241.578125 MB of memory in use. ENERGY: 1939200 3954.1589 20458.3766 14502.4392 258.0770 -202971.7550 2309.0964 0.0000 0.0000 52441.5042 -109048.1027 301.3820 -161489.6069 -108675.0660 299.8281 -106.8011 -78.3956 761719.0468 9.8787 9.8295 PRESSURE: 1939400 49.4109 -209.218 51.3743 -209.217 -668.72 -164.684 51.3739 -164.684 -170.391 GPRESSURE: 1939400 53.0571 -225.25 40.8074 -173.044 -590.243 -168.597 69.7833 -172.584 -152.231 PRESSAVG: 1939400 2.11436 -24.4674 -22.5886 -24.4674 10.211 -28.6668 -22.5886 -28.6668 30.2615 GPRESSAVG: 1939400 1.77788 -24.5141 -19.8346 -25.9026 10.8769 -26.5157 -23.6374 -26.5706 30.568 TIMING: 1939400 CPU: 6189.62, 0.00317411/step Wall: 6189.62, 0.00317411/step, 2.69853 hours remaining, 241.578125 MB of memory in use. ENERGY: 1939400 4028.5344 20540.5832 14473.0159 246.4275 -202860.5455 2489.9149 0.0000 0.0000 52352.2845 -108729.7852 300.8693 -161082.0697 -108367.5358 300.2110 -263.2335 -229.8056 763556.7534 14.1956 14.4076 PRESSURE: 1939600 1.06442 -168.568 205.601 -168.568 408.509 -213.606 205.601 -213.607 -146.927 GPRESSURE: 1939600 109.021 -318.986 231.035 -226.162 327.5 -211.772 212.767 -196.588 -92.6645 PRESSAVG: 1939600 5.79071 5.36541 53.5438 5.36543 -14.1973 -30.123 53.5438 -30.1229 -8.23409 GPRESSAVG: 1939600 6.0578 3.3798 54.1574 5.45223 -14.111 -30.2314 52.7859 -29.667 -8.31886 TIMING: 1939600 CPU: 6190.24, 0.00314503/step Wall: 6190.24, 0.00314503/step, 2.67363 hours remaining, 241.578125 MB of memory in use. ENERGY: 1939600 4038.5118 20564.3009 14485.5686 248.0672 -203157.0996 2820.4448 0.0000 0.0000 52512.6292 -108487.5771 301.7908 -161000.2063 -108119.4687 300.8733 87.5489 114.6189 762448.6414 -5.5469 -5.4574 PRESSURE: 1939800 -167.176 -211.26 -4.83165 -211.26 -137.544 -65.3101 -4.83144 -65.3117 121.718 GPRESSURE: 1939800 -130.919 -124.368 65.0445 -129.529 -31.7549 -28.4759 -17.5948 -127.092 69.2316 PRESSAVG: 1939800 -21.4458 -28.0235 19.8973 -28.0235 78.4372 2.06757 19.8973 2.06757 -5.31689 GPRESSAVG: 1939800 -21.132 -24.8161 19.8448 -29.5869 78.4544 4.13534 21.3117 0.963997 -6.33669 TIMING: 1939800 CPU: 6190.87, 0.00315119/step Wall: 6190.87, 0.00315119/step, 2.67868 hours remaining, 241.578125 MB of memory in use. ENERGY: 1939800 3982.7532 20556.6891 14504.0900 247.8374 -202983.3697 2720.0890 0.0000 0.0000 52350.4866 -108621.4245 300.8590 -160971.9111 -108251.1710 301.0422 -61.0008 -31.1475 763840.4902 17.2248 16.9952 PRESSURE: 1940000 14.0121 -47.6789 237.142 -47.6786 85.3553 -127.356 237.142 -127.356 -85.5366 GPRESSURE: 1940000 103.455 -82.7565 185.006 35.6407 60.5686 -98.0914 248.049 -103.781 -68.5364 PRESSAVG: 1940000 -93.2785 -8.6667 41.8044 -8.66664 59.8883 -13.0579 41.8043 -13.0579 -19.9499 GPRESSAVG: 1940000 -92.9201 -9.73971 38.793 -7.89717 59.5464 -13.5715 41.9671 -14.2747 -19.9036 TIMING: 1940000 CPU: 6191.5, 0.00314069/step Wall: 6191.5, 0.00314069/step, 2.66959 hours remaining, 241.578125 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: 1940000 4042.8424 20621.6210 14514.2594 238.5649 -203026.3956 2624.0323 0.0000 0.0000 52431.6301 -108553.4455 301.3253 -160985.0755 -108184.8461 300.8054 4.6103 31.8292 762486.4644 -17.7800 -17.7591 PRESSURE: 1940200 -225.979 120.566 101.112 120.567 83.3405 176.932 101.112 176.932 130.671 GPRESSURE: 1940200 -240.3 39.0119 127.244 83.3504 162.251 141.262 7.47054 125.446 162.147 PRESSAVG: 1940200 -2.61097 18.7922 18.8948 18.7921 39.2328 -22.5395 18.8947 -22.5395 15.8918 GPRESSAVG: 1940200 -2.8527 18.4397 20.3886 21.3427 39.1503 -23.3369 17.5123 -19.8947 16.2507 TIMING: 1940200 CPU: 6192.13, 0.00315965/step Wall: 6192.13, 0.00315965/step, 2.68553 hours remaining, 241.578125 MB of memory in use. ENERGY: 1940200 4038.1607 20624.8772 14477.3968 267.8038 -202862.8185 2425.3223 0.0000 0.0000 52260.3842 -108768.8735 300.3411 -161029.2577 -108400.6910 300.7577 -3.9890 28.0328 762625.9984 17.5045 17.5161 LDB: ============= START OF LOAD BALANCING ============== 6204.59 LDB: ============== END OF LOAD BALANCING =============== 6204.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6204.59 LDB: ============= START OF LOAD BALANCING ============== 6204.91 LDB: Largest compute 7070 load 0.036165 is 18.5% of average load 0.195118 LDB: Average compute 0.004404 is 2.3% of average load 0.195118 LDB: TIME 6204.91 LOAD: AVG 0.195118 MAX 0.214569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 6204.91 LOAD: AVG 0.195118 MAX 0.214569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 6204.91 LOAD: AVG 0.195118 MAX 0.214569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 6204.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6204.92 PRESSURE: 1940400 -546.205 -80.2783 -96.5977 -80.2789 -441.229 -116.785 -96.5979 -116.785 -232.324 GPRESSURE: 1940400 -411.871 -28.3698 -44.8066 -183.543 -423.81 -128.606 -4.46479 -7.05463 -283.268 PRESSAVG: 1940400 -9.92153 -0.625098 24.374 -0.625133 30.1438 -10.663 24.374 -10.663 22.3441 GPRESSAVG: 1940400 -9.39254 -1.30104 25.0718 -2.94989 30.2589 -8.9378 26.1246 -13.79 21.433 TIMING: 1940400 CPU: 6192.79, 0.00325354/step Wall: 6192.79, 0.00325354/step, 2.76514 hours remaining, 241.000000 MB of memory in use. ENERGY: 1940400 4028.6968 20662.3735 14470.7972 247.1721 -203208.3080 2650.4043 0.0000 0.0000 52404.7474 -108744.1168 301.1708 -161148.8642 -108377.5110 300.3622 -406.5857 -372.9833 763972.2995 14.1888 14.0998 PRESSURE: 1940600 256.175 111.04 -152.805 111.04 111.973 -82.4418 -152.805 -82.4415 -93.058 GPRESSURE: 1940600 276.455 55.6667 -161.137 91.1418 153.427 -89.5295 50.0744 -67.4139 -85.3046 PRESSAVG: 1940600 -1.55755 -25.7473 29.015 -25.7473 -34.1348 -12.3126 29.0151 -12.3126 -24.8836 GPRESSAVG: 1940600 -1.44088 -26.0951 29.1392 -24.1889 -34.4837 -13.785 28.5478 -9.75107 -24.6971 TIMING: 1940600 CPU: 6193.42, 0.00317805/step Wall: 6193.42, 0.00317805/step, 2.70081 hours remaining, 241.000000 MB of memory in use. ENERGY: 1940600 4006.8030 20570.5015 14503.3376 253.9137 -203342.4605 2745.5720 0.0000 0.0000 52385.1178 -108877.2149 301.0580 -161262.3327 -108511.3776 300.4258 91.6964 114.8594 761810.4096 -20.1920 -20.2072 PRESSURE: 1940800 -356.857 125.661 61.6633 125.662 -89.1472 214.769 61.6639 214.769 49.6812 GPRESSURE: 1940800 -277.938 139.304 36.6134 102.01 -92.4066 134.041 123.815 213.83 58.9836 PRESSAVG: 1940800 -18.0977 23.016 -17.2977 23.0159 55.536 -12.3554 -17.2977 -12.3554 14.0818 GPRESSAVG: 1940800 -19.7334 23.2193 -18.7548 22.921 56.157 -13.2744 -16.6856 -13.6357 14.6683 TIMING: 1940800 CPU: 6194.05, 0.00316633/step Wall: 6194.05, 0.00316633/step, 2.69068 hours remaining, 241.000000 MB of memory in use. ENERGY: 1940800 4011.7531 20637.1625 14529.6084 244.8758 -203243.4093 2558.4786 0.0000 0.0000 52293.8916 -108967.6394 300.5337 -161261.5309 -108601.2298 300.2698 -132.1078 -103.7871 762427.3425 17.1734 17.0306 PRESSURE: 1941000 101.295 -232.471 37.3159 -232.471 266.548 -29.1715 37.3159 -29.1721 130.704 GPRESSURE: 1941000 160.805 -190.793 19.9346 -196.386 344.818 -76.4395 92.9454 -55.0159 100.608 PRESSAVG: 1941000 -41.4137 -20.3693 -20.4378 -20.3692 9.32121 -36.8562 -20.4378 -36.8562 18.3126 GPRESSAVG: 1941000 -40.1583 -20.7086 -18.3615 -19.1415 8.72824 -36.3274 -20.3882 -36.2258 17.5408 TIMING: 1941000 CPU: 6194.68, 0.00315355/step Wall: 6194.68, 0.00315355/step, 2.67964 hours remaining, 241.000000 MB of memory in use. ENERGY: 1941000 3947.6537 20445.7639 14474.6885 245.8606 -203363.3509 3019.2831 0.0000 0.0000 52243.5024 -108986.5986 300.2441 -161230.1011 -108634.9500 300.2181 166.1824 202.0772 760957.7679 -4.5933 -4.6298 PRESSURE: 1941200 25.3015 4.0526 69.1042 4.05252 139.437 -54.9907 69.1035 -54.9903 -94.457 GPRESSURE: 1941200 59.9952 61.2602 -1.07623 -87.4736 105.627 -7.25386 -6.46673 -113.594 7.54777 PRESSAVG: 1941200 -22.4038 -25.8825 -37.6274 -25.8825 71.1716 -5.37437 -37.6274 -5.37443 21.9947 GPRESSAVG: 1941200 -22.4874 -22.7771 -39.2204 -27.9656 70.6383 -4.7689 -39.4737 -6.49048 23.2717 TIMING: 1941200 CPU: 6195.32, 0.00317013/step Wall: 6195.32, 0.00317012/step, 2.69355 hours remaining, 241.000000 MB of memory in use. ENERGY: 1941200 3911.2995 20485.0564 14481.2342 240.0720 -202892.3244 2522.8300 0.0000 0.0000 52122.6920 -109129.1403 299.5498 -161251.8323 -108752.9007 299.5898 23.4271 57.7232 761960.3114 23.5875 23.8075 PRESSURE: 1941400 406.899 -102.244 -16.1765 -102.245 -93.7931 -105.098 -16.1751 -105.098 255.732 GPRESSURE: 1941400 420.526 -80.1945 101.907 -133.895 -26.8678 -39.9603 -74.5385 -55.6014 263.801 PRESSAVG: 1941400 -16.2265 -21.6997 4.28524 -21.6996 14.9789 6.10315 4.28521 6.10309 -17.7442 GPRESSAVG: 1941400 -15.7775 -22.0974 5.90094 -20.5141 14.8091 5.27399 5.45533 8.72656 -18.3945 TIMING: 1941400 CPU: 6195.96, 0.00319261/step Wall: 6195.96, 0.00319261/step, 2.71247 hours remaining, 241.000000 MB of memory in use. ENERGY: 1941400 3935.7681 20354.7218 14534.5926 241.7894 -203284.8734 2915.2348 0.0000 0.0000 52146.4135 -109156.3532 299.6862 -161302.7667 -108779.1956 299.3087 189.6126 219.1533 762941.2178 -6.3306 -6.4543 PRESSURE: 1941600 61.078 123.554 -71.3835 123.555 -213.102 -31.6269 -71.3836 -31.6275 -9.93069 GPRESSURE: 1941600 31.9748 95.4064 -30.1698 37.9621 -133.478 -48.3687 -137.342 -44.379 17.7578 PRESSAVG: 1941600 -44.6712 -21.8349 -40.9592 -21.8349 59.9721 11.6576 -40.9592 11.6577 -6.31571 GPRESSAVG: 1941600 -45.8732 -25.0893 -40.4887 -22.7818 60.0006 11.6407 -42.8805 10.6597 -5.59088 TIMING: 1941600 CPU: 6196.59, 0.00318447/step Wall: 6196.59, 0.00318447/step, 2.70539 hours remaining, 241.000000 MB of memory in use. ENERGY: 1941600 3957.1012 20380.4776 14431.6582 257.0532 -202761.3916 2508.5257 0.0000 0.0000 52294.7710 -108931.8047 300.5388 -161226.5757 -108564.3269 299.5431 -53.9848 -27.9151 764221.1815 2.9951 2.8455 PRESSURE: 1941800 -16.2277 -13.3534 -80.4105 -13.3544 64.7441 92.0882 -80.4109 92.0872 -97.7716 GPRESSURE: 1941800 64.8181 -104.585 -65.466 92.4136 75.5618 44.0771 -64.4034 117.888 -94.8385 PRESSAVG: 1941800 -32.1521 -76.1935 -15.0208 -76.1935 41.1378 -45.2741 -15.0208 -45.2742 -17.5687 GPRESSAVG: 1941800 -32.8653 -73.2149 -16.7616 -75.671 41.8637 -45.3063 -13.4901 -44.2597 -17.705 TIMING: 1941800 CPU: 6197.24, 0.00320995/step Wall: 6197.24, 0.00320995/step, 2.72685 hours remaining, 241.000000 MB of memory in use. ENERGY: 1941800 3938.2144 20407.0444 14455.1672 225.3620 -202713.6767 2453.8219 0.0000 0.0000 52162.2595 -109071.8072 299.7772 -161234.0668 -108708.6718 299.6070 -16.4184 15.1805 764043.9050 -2.8610 -2.9022 PRESSURE: 1942000 -48.2204 -122.243 170.326 -122.243 -23.0001 -180.283 170.326 -180.283 87.4529 GPRESSURE: 1942000 61.2096 -130.663 115.829 -160.088 -7.45417 -183.256 60.3623 -150.058 36.175 PRESSAVG: 1942000 -10.6716 -74.7991 -54.0552 -74.799 11.5507 -13.5311 -54.0552 -13.5312 22.7939 GPRESSAVG: 1942000 -9.54306 -75.1326 -53.2863 -75.291 11.0548 -13.807 -53.6495 -15.0508 22.1551 TIMING: 1942000 CPU: 6197.87, 0.00318598/step Wall: 6197.87, 0.00318598/step, 2.70631 hours remaining, 241.000000 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: 1942000 3956.9103 20542.2870 14481.3001 242.6454 -203112.3100 2783.8352 0.0000 0.0000 52107.5480 -108997.7839 299.4628 -161105.3320 -108634.7919 299.7530 5.4108 29.9768 763768.2323 7.8910 7.8889 PRESSURE: 1942200 -134.265 -285.88 96.3001 -285.88 -214.663 -72.5294 96.3003 -72.529 137.842 GPRESSURE: 1942200 -126.866 -190.192 202.069 -365.282 -113.434 -89.6279 102.91 -47.6003 127.828 PRESSAVG: 1942200 -18.4664 -113.378 -31.5408 -113.378 -17.224 21.342 -31.5407 21.342 10.9909 GPRESSAVG: 1942200 -19.4585 -113.618 -31.684 -113.949 -16.2167 22.1761 -31.6604 21.9923 10.9684 TIMING: 1942200 CPU: 6198.52, 0.00322011/step Wall: 6198.52, 0.00322011/step, 2.73513 hours remaining, 241.000000 MB of memory in use. ENERGY: 1942200 3953.0159 20580.6657 14376.6176 258.1668 -202713.1085 2458.6489 0.0000 0.0000 52244.6920 -108841.3017 300.2510 -161085.9937 -108477.5375 300.0308 -70.3618 -37.4909 764265.4519 -8.2332 -8.2356 PRESSURE: 1942400 -88.2976 -180.321 110.8 -180.321 20.302 133.556 110.8 133.556 -14.0517 GPRESSURE: 1942400 -39.5963 -172.408 81.6795 -115.156 -6.04987 208.434 -22.5482 195.954 28.7448 PRESSAVG: 1942400 -36.6083 -86.7264 13.9849 -86.7263 17.5599 56.4338 13.9848 56.4338 -14.5159 GPRESSAVG: 1942400 -36.3905 -85.7124 14.1195 -86.1488 17.2562 57.4812 11.9209 56.0111 -14.8972 TIMING: 1942400 CPU: 6199.16, 0.00318978/step Wall: 6199.16, 0.00318978/step, 2.70918 hours remaining, 241.000000 MB of memory in use. ENERGY: 1942400 4095.1570 20624.4527 14451.3204 233.4780 -203226.1761 2785.4836 0.0000 0.0000 52266.0229 -108770.2614 300.3736 -161036.2843 -108411.3398 300.6594 -27.3491 -5.6338 763597.6186 -11.1881 -11.3438 PRESSURE: 1942600 43.6462 -14.6102 44.6747 -14.61 -208.587 29.4327 44.6747 29.4327 -61.3948 GPRESSURE: 1942600 115.133 70.9727 56.6399 -109.572 -251.433 -60.3621 70.6522 51.7427 -9.50934 PRESSAVG: 1942600 -5.62513 -43.2252 -22.6503 -43.2251 13.7897 46.225 -22.6504 46.225 -7.3509 GPRESSAVG: 1942600 -4.12355 -44.139 -24.7829 -42.3992 12.969 44.4753 -20.3272 44.229 -7.98835 TIMING: 1942600 CPU: 6199.8, 0.00319807/step Wall: 6199.8, 0.00319807/step, 2.71605 hours remaining, 241.000000 MB of memory in use. ENERGY: 1942600 3996.9792 20543.8408 14451.3812 247.8035 -202617.3124 2484.7292 0.0000 0.0000 52108.1164 -108784.4622 299.4661 -160892.5786 -108415.0003 300.4547 -75.4452 -48.6031 763281.9428 0.2712 0.2857 PRESSURE: 1942800 241.714 -120.121 -137.313 -120.121 0.399235 -14.4481 -137.313 -14.4487 174.97 GPRESSURE: 1942800 311.974 -41.488 -109.74 -144.564 -13.9031 21.8529 -161.457 -51.0821 208.784 PRESSAVG: 1942800 -13.1603 -84.9732 -39.5094 -84.9732 -3.11871 31.7095 -39.5094 31.7095 -2.72907 GPRESSAVG: 1942800 -14.0021 -84.5219 -38.0701 -85.3612 -2.2847 32.7244 -40.7915 31.1876 -2.17216 TIMING: 1942800 CPU: 6200.43, 0.00318244/step Wall: 6200.43, 0.00318244/step, 2.70259 hours remaining, 241.000000 MB of memory in use. ENERGY: 1942800 3996.0998 20600.4572 14399.1783 240.9110 -203128.8755 2770.8315 0.0000 0.0000 52117.7317 -109003.6660 299.5213 -161121.3976 -108652.6876 299.8248 139.0277 168.9515 761520.4807 -6.3360 -6.1530 PRESSURE: 1943000 89.284 99.5307 -204.73 99.53 11.6893 29.0533 -204.731 29.0539 298.378 GPRESSURE: 1943000 174.913 69.5064 -113.961 -21.8415 -13.8913 62.2359 -279.907 13.2782 309.761 PRESSAVG: 1943000 -69.7307 -48.1794 -34.2046 -48.1794 30.5449 20.0201 -34.2046 20.0201 -9.31369 GPRESSAVG: 1943000 -69.2752 -49.5157 -33.2646 -49.1418 29.2545 19.294 -32.6168 23.5129 -8.94638 TIMING: 1943000 CPU: 6201.06, 0.00316254/step Wall: 6201.06, 0.00316254/step, 2.68552 hours remaining, 241.000000 MB of memory in use. ENERGY: 1943000 4001.8922 20434.0939 14442.5367 244.3581 -202925.7447 2430.7644 0.0000 0.0000 52154.8180 -109217.2814 299.7345 -161372.0994 -108861.4188 299.3704 133.1170 156.9276 761516.6867 -16.1665 -16.3224 PRESSURE: 1943200 68.6535 -3.31509 33.0483 -3.31546 60.7894 -49.6576 33.0491 -49.6571 145.668 GPRESSURE: 1943200 123.018 -56.921 145.47 77.5227 151.837 -9.70471 -50.4857 2.58601 116.833 PRESSAVG: 1943200 -8.19859 -68.0558 2.02318 -68.0558 42.5634 -39.8131 2.02324 -39.813 6.57797 GPRESSAVG: 1943200 -9.86651 -68.8094 1.06549 -65.2796 44.9439 -39.5688 0.262966 -39.9126 5.69982 TIMING: 1943200 CPU: 6201.7, 0.00318881/step Wall: 6201.7, 0.00318881/step, 2.70766 hours remaining, 241.000000 MB of memory in use. ENERGY: 1943200 3920.3867 20551.4173 14436.0847 254.1041 -203250.0586 2568.3021 0.0000 0.0000 52227.2064 -109292.5574 300.1505 -161519.7638 -108929.9848 299.4584 91.7037 130.5627 761671.8381 13.6476 13.5924 PRESSURE: 1943400 -328.838 101.578 -158.469 101.578 9.01159 -95.0465 -158.468 -95.0448 188.221 GPRESSURE: 1943400 -262.143 170.825 -151.349 105.27 -15.3285 -47.0337 -127.413 38.6845 224.807 PRESSAVG: 1943400 20.1088 -0.609234 -11.4518 -0.609183 0.750582 -68.7519 -11.4519 -68.752 -13.7091 GPRESSAVG: 1943400 20.7237 1.21143 -9.53255 -1.76776 -1.39861 -69.2091 -8.71099 -69.8583 -12.6685 TIMING: 1943400 CPU: 6202.34, 0.00319087/step Wall: 6202.34, 0.00319087/step, 2.70923 hours remaining, 241.000000 MB of memory in use. ENERGY: 1943400 4024.0005 20704.0246 14346.8645 249.0800 -203650.6982 2861.2928 0.0000 0.0000 52083.9937 -109381.4422 299.3274 -161465.4359 -109025.1332 299.6466 -43.8686 -17.5550 759874.0397 2.3834 2.2189 PRESSURE: 1943600 43.056 -69.125 -38.8596 -69.1247 -256.662 147.367 -38.8609 147.366 -60.5113 GPRESSURE: 1943600 78.5643 -177.555 -22.6849 -109.61 -266.255 107.914 -184.694 53.4508 -7.04657 PRESSAVG: 1943600 -52.1543 -21.4851 -49.3327 -21.485 -7.61941 -68.7847 -49.3327 -68.7847 -7.33559 GPRESSAVG: 1943600 -50.2911 -22.5824 -50.7189 -22.5762 -8.51639 -69.4062 -53.2519 -70.6495 -8.55655 TIMING: 1943600 CPU: 6202.97, 0.00315204/step Wall: 6202.97, 0.00315204/step, 2.67608 hours remaining, 241.000000 MB of memory in use. ENERGY: 1943600 4006.3607 20513.4980 14374.6274 245.2270 -203065.9411 2407.5079 0.0000 0.0000 52185.0301 -109333.6900 299.9081 -161518.7201 -108975.2901 299.5902 -91.3725 -64.9123 762057.9531 -22.3698 -22.4547 PRESSURE: 1943800 271.64 73.1591 124.557 73.16 313.742 -174.162 124.557 -174.162 442.833 GPRESSURE: 1943800 311.647 136.553 148.645 7.38395 367.786 -184.133 177.397 -70.3847 437.665 PRESSAVG: 1943800 9.95143 -23.3248 -10.3797 -23.3249 -43.4132 -22.8773 -10.3796 -22.8772 1.69173 GPRESSAVG: 1943800 7.69143 -22.7529 -10.6323 -25.9442 -41.5776 -22.2581 -9.64906 -21.4798 1.98957 TIMING: 1943800 CPU: 6203.6, 0.00317265/step Wall: 6203.6, 0.00317265/step, 2.6934 hours remaining, 241.000000 MB of memory in use. ENERGY: 1943800 3974.0709 20435.5116 14411.9445 228.7559 -203456.3617 2987.4524 0.0000 0.0000 51949.0082 -109469.6183 298.5517 -161418.6265 -109112.8694 299.0999 342.7384 372.3660 760302.5287 -10.5900 -10.6322 PRESSURE: 1944000 360.338 -240.586 -163.353 -240.587 -68.1486 18.7934 -163.353 18.7924 12.1073 GPRESSURE: 1944000 311.883 -243.29 -161.372 -217.648 10.1981 -68.1539 -54.2044 61.2096 86.1096 PRESSAVG: 1944000 29.1911 2.82829 -13.2023 2.82828 -42.0216 -26.1624 -13.2023 -26.1624 7.19721 GPRESSAVG: 1944000 30.157 1.31107 -12.8242 5.79652 -41.9396 -27.2192 -12.3767 -24.254 6.66273 TIMING: 1944000 CPU: 6204.24, 0.00316897/step Wall: 6204.24, 0.00316897/step, 2.6901 hours remaining, 241.000000 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: 1944000 3997.9572 20566.7768 14428.8862 252.9185 -203190.9483 2641.3973 0.0000 0.0000 51968.8851 -109334.1272 298.6659 -161303.0123 -108984.7473 298.9778 101.4321 136.0637 761159.3108 -1.8778 -1.7066 PRESSURE: 1944200 68.4444 85.9737 -248.553 85.9739 -169.099 -147.846 -248.552 -147.846 -144.639 GPRESSURE: 1944200 111.027 37.4134 -181.116 116.166 -199.061 -132.849 -268.507 -92.6931 -75.1018 PRESSAVG: 1944200 41.4121 -12.9232 13.5779 -12.9231 -42.2784 -13.6582 13.5779 -13.6582 17.0639 GPRESSAVG: 1944200 41.6814 -10.8144 12.0588 -11.8545 -43.8477 -12.5301 13.374 -15.0305 18.4146 TIMING: 1944200 CPU: 6204.88, 0.00319325/step Wall: 6204.88, 0.00319325/step, 2.71054 hours remaining, 241.000000 MB of memory in use. ENERGY: 1944200 3988.8403 20509.8220 14402.7628 250.3386 -202898.9597 2282.3479 0.0000 0.0000 52236.6247 -109228.2234 300.2046 -161464.8481 -108859.8935 299.4698 -81.7645 -54.3788 761581.0937 5.3992 5.4161 LDB: ============= START OF LOAD BALANCING ============== 6217.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6217.33 LDB: =============== DONE WITH MIGRATION ================ 6217.34 LDB: ============= START OF LOAD BALANCING ============== 6217.65 LDB: Largest compute 7070 load 0.037343 is 19.1% of average load 0.195111 LDB: Average compute 0.004395 is 2.3% of average load 0.195111 LDB: TIME 6217.66 LOAD: AVG 0.195111 MAX 0.214953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.77 MB LDB: TIME 6217.66 LOAD: AVG 0.195111 MAX 0.214953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.77 MB LDB: TIME 6217.66 LOAD: AVG 0.195111 MAX 0.214953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.77 MB LDB: ============== END OF LOAD BALANCING =============== 6217.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6217.66 PRESSURE: 1944400 -18.346 -55.7868 -54.7123 -55.7859 206.854 -72.4485 -54.7126 -72.449 -274.806 GPRESSURE: 1944400 46.6678 -134.576 -24.9991 -53.4377 116.16 -20.9269 -58.8383 50.218 -155.239 PRESSAVG: 1944400 15.279 -7.21727 -41.0527 -7.21731 -17.4382 -3.76865 -41.0528 -3.76868 -24.9476 GPRESSAVG: 1944400 16.0472 -8.2544 -40.0267 -7.8123 -17.3439 -2.9223 -40.4738 -3.7691 -26.2422 TIMING: 1944400 CPU: 6205.53, 0.00326065/step Wall: 6205.53, 0.00326065/step, 2.76757 hours remaining, 239.769531 MB of memory in use. ENERGY: 1944400 3967.3944 20655.4446 14441.0612 252.8220 -203163.0445 2409.2553 0.0000 0.0000 52093.0267 -109344.0403 299.3793 -161437.0670 -108988.4654 299.3375 -28.7660 2.5295 761843.4920 -9.0356 -9.1796 PRESSURE: 1944600 59.6722 -11.1528 -318.92 -11.1527 27.7406 -30.9099 -318.919 -30.9109 39.0174 GPRESSURE: 1944600 145.602 27.0083 -260.44 -13.1254 107.651 4.14327 -264.445 -112.03 -29.4243 PRESSAVG: 1944600 23.5181 -16.8045 -29.6004 -16.8045 -38.0129 -5.13652 -29.6004 -5.13644 -7.09687 GPRESSAVG: 1944600 23.6951 -16.5007 -30.41 -17.8394 -38.8714 -6.61004 -28.755 -4.7161 -6.10983 TIMING: 1944600 CPU: 6206.17, 0.00318149/step Wall: 6206.17, 0.00318149/step, 2.7002 hours remaining, 239.769531 MB of memory in use. ENERGY: 1944600 4029.0828 20444.4728 14507.1200 257.6089 -203493.0459 2807.9589 0.0000 0.0000 51965.7957 -109481.0068 298.6481 -161446.8025 -109121.1053 299.3638 42.1434 74.6096 760667.4178 -7.1972 -7.0954 PRESSURE: 1944800 424.146 -152.322 246.021 -152.322 252.61 135.166 246.021 135.167 209.682 GPRESSURE: 1944800 401.402 -111.174 224.538 -144.682 345.224 106.052 313.939 9.1749 216.327 PRESSAVG: 1944800 4.12862 0.955612 -15.3587 0.95561 20.6396 -77.6228 -15.3587 -77.6227 8.24049 GPRESSAVG: 1944800 2.58058 1.41891 -14.8289 1.16188 23.3069 -76.3186 -15.6778 -80.7604 7.44938 TIMING: 1944800 CPU: 6206.8, 0.00319228/step Wall: 6206.8, 0.00319228/step, 2.70918 hours remaining, 239.769531 MB of memory in use. ENERGY: 1944800 4005.9479 20561.5171 14442.0154 263.6449 -203349.3498 2715.4516 0.0000 0.0000 51768.9432 -109591.8296 297.5168 -161360.7729 -109232.3935 298.8561 295.4794 320.9843 760618.9621 11.0029 11.1123 PRESSURE: 1945000 -274.274 -15.9212 273.427 -15.9211 179.334 -73.7503 273.427 -73.751 -131.987 GPRESSURE: 1945000 -245.012 -121.59 278.544 -53.1282 179.661 -3.46786 215.202 -94.8993 -76.7019 PRESSAVG: 1945000 18.6562 -6.93446 -51.4285 -6.93445 -14.6309 18.1872 -51.4284 18.1872 -27.7865 GPRESSAVG: 1945000 19.2485 -8.27108 -51.5421 -5.27103 -16.412 17.8946 -50.1596 18.238 -26.7878 TIMING: 1945000 CPU: 6207.44, 0.00318/step Wall: 6207.44, 0.00318/step, 2.69858 hours remaining, 239.769531 MB of memory in use. ENERGY: 1945000 3971.6866 20626.6529 14480.6605 259.2526 -203090.8942 2480.7554 0.0000 0.0000 52073.5502 -109198.3360 299.2674 -161271.8862 -108829.4981 299.1389 -75.6423 -47.3507 762079.5541 -7.9204 -7.9838 PRESSURE: 1945200 310.099 -129.015 170.331 -129.015 43.2938 44.7683 170.331 44.7685 -160.308 GPRESSURE: 1945200 263.389 20.7769 37.2999 -122.676 39.417 28.2881 178.285 -119.443 -43.8449 PRESSAVG: 1945200 -4.49913 -87.3357 -10.2691 -87.3358 7.4871 13.5211 -10.2691 13.5211 6.20644 GPRESSAVG: 1945200 -4.86939 -84.98 -9.00579 -90.6569 6.98979 11.0109 -12.8772 15.8671 6.55809 TIMING: 1945200 CPU: 6208.08, 0.003196/step Wall: 6208.08, 0.003196/step, 2.71198 hours remaining, 239.769531 MB of memory in use. ENERGY: 1945200 3975.4942 20440.9482 14451.5515 249.8815 -203443.2818 2712.3024 0.0000 0.0000 52165.3612 -109447.7428 299.7950 -161613.1040 -109082.3163 299.2472 64.3615 86.3205 762131.0544 3.0648 2.8928 PRESSURE: 1945400 -597.115 274.515 -123.216 274.515 114.811 117.34 -123.216 117.339 -314.98 GPRESSURE: 1945400 -461.009 249.879 -119.909 248.156 80.9372 55.9502 -57.468 -16.6614 -330.251 PRESSAVG: 1945400 20.8651 1.484 -10.1819 1.48404 -36.3073 4.61574 -10.1818 4.61577 1.15321 GPRESSAVG: 1945400 22.0503 0.551855 -11.0694 3.88423 -35.5744 5.8786 -9.03083 2.25822 -0.295141 TIMING: 1945400 CPU: 6208.72, 0.00320366/step Wall: 6208.72, 0.00320366/step, 2.71831 hours remaining, 239.769531 MB of memory in use. ENERGY: 1945400 4034.1096 20402.6660 14510.7059 252.4084 -202815.7041 2328.0922 0.0000 0.0000 51787.3617 -109500.3602 297.6227 -161287.7219 -109135.0469 298.5065 -265.7612 -236.7742 760156.3796 -4.7630 -4.6064 PRESSURE: 1945600 208.966 -92.003 44.5733 -92.0032 -134.197 81.3721 44.5737 81.3739 -225.578 GPRESSURE: 1945600 136.162 -47.7829 5.13391 -137.89 -15.4068 35.9716 9.4427 91.677 -194.422 PRESSAVG: 1945600 -29.106 -29.6497 -15.9107 -29.6496 0.0525625 13.3056 -15.9107 13.3056 17.6234 GPRESSAVG: 1945600 -28.994 -29.6261 -16.7609 -30.8235 0.517045 13.6261 -17.5111 16.204 18.0251 TIMING: 1945600 CPU: 6209.36, 0.00320277/step Wall: 6209.36, 0.00320277/step, 2.71738 hours remaining, 239.769531 MB of memory in use. ENERGY: 1945600 3954.2103 20562.3227 14498.7098 260.1786 -202945.5358 2305.6861 0.0000 0.0000 51698.7996 -109665.6287 297.1137 -161364.4283 -109311.0102 298.5932 -50.2696 -24.5558 761406.4992 -3.8100 -3.4840 PRESSURE: 1945800 -27.6335 -140.951 -30.1097 -140.95 20.255 117.271 -30.1103 117.271 -376.603 GPRESSURE: 1945800 -42.3489 -124.222 30.1562 -214.654 59.9306 80.67 -53.3075 -87.7144 -318.761 PRESSAVG: 1945800 -30.6978 -27.3025 42.7757 -27.3025 -22.1155 -54.5459 42.7756 -54.5459 -4.99415 GPRESSAVG: 1945800 -31.4474 -26.6275 44.9755 -28.7987 -20.5807 -53.0282 42.4799 -55.6696 -5.20749 TIMING: 1945800 CPU: 6210, 0.00318996/step Wall: 6210, 0.00318996/step, 2.70633 hours remaining, 239.769531 MB of memory in use. ENERGY: 1945800 4059.9004 20395.1896 14561.4512 268.3187 -202906.4638 2287.4779 0.0000 0.0000 51906.9175 -109427.2085 298.3098 -161334.1260 -109068.9783 298.5353 -127.9938 -100.3930 761436.8949 -19.2691 -19.0785 PRESSURE: 1946000 -80.048 49.8417 -265.163 49.8416 -17.2804 -253.459 -265.163 -253.459 113.061 GPRESSURE: 1946000 70.0175 80.5435 -214.516 73.0285 -22.587 -163.946 -221.368 -267.547 61.4372 PRESSAVG: 1946000 -55.6319 -56.7909 -37.2261 -56.7908 53.8024 -57.0451 -37.2261 -57.045 25.1501 GPRESSAVG: 1946000 -53.8575 -57.872 -37.9447 -56.248 52.7377 -57.0515 -36.0727 -56.3275 24.3876 TIMING: 1946000 CPU: 6210.64, 0.00320789/step Wall: 6210.64, 0.00320789/step, 2.72136 hours remaining, 239.769531 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: 1946000 3996.8968 20456.3620 14446.9722 248.1291 -203509.9673 2634.1797 0.0000 0.0000 52303.0677 -109424.3599 300.5864 -161727.4276 -109064.2093 299.5041 5.2444 36.2892 760367.9242 7.7735 7.7559 PRESSURE: 1946200 74.5025 -126.314 108.009 -126.313 -91.4133 187.339 108.01 187.339 -109.821 GPRESSURE: 1946200 91.8117 -111.876 115.013 -78.1849 -19.2377 185.53 66.8546 192.721 -114.122 PRESSAVG: 1946200 -0.837088 -29.3089 -61.9892 -29.3088 14.5394 0.726363 -61.9891 0.726341 5.65324 GPRESSAVG: 1946200 -1.3815 -27.1551 -63.9224 -28.9946 15.0725 -0.319302 -60.4163 1.46852 5.31013 TIMING: 1946200 CPU: 6211.28, 0.0031943/step Wall: 6211.28, 0.0031943/step, 2.70965 hours remaining, 239.769531 MB of memory in use. ENERGY: 1946200 3992.1312 20673.2956 14432.2474 243.0233 -203268.7874 2501.9191 0.0000 0.0000 52192.4462 -109233.7246 299.9507 -161426.1709 -108880.4709 299.7982 -42.2438 -13.8493 759900.1179 6.4519 6.3337 PRESSURE: 1946400 69.7457 15.1544 -253.954 15.155 81.7639 78.2629 -253.955 78.2638 144.711 GPRESSURE: 1946400 65.4628 -15.1899 -170.61 6.58268 129.567 64.7358 -307.523 15.9086 185.009 PRESSAVG: 1946400 -39.6447 -66.585 -40.4968 -66.5849 12.1871 45.5476 -40.4968 45.5475 -3.51251 GPRESSAVG: 1946400 -39.7273 -69.8158 -39.9471 -66.185 11.0476 45.3878 -42.0991 44.1923 -2.81399 TIMING: 1946400 CPU: 6211.92, 0.00318488/step Wall: 6211.92, 0.00318488/step, 2.70149 hours remaining, 239.769531 MB of memory in use. ENERGY: 1946400 4105.0206 20309.9613 14379.4117 246.6206 -203637.2527 3076.1695 0.0000 0.0000 52316.4062 -109203.6627 300.6631 -161520.0689 -108826.8399 299.7732 98.7402 126.6793 760202.2165 -10.3234 -10.4979 PRESSURE: 1946600 -78.2076 -113.164 -59.4789 -113.164 -92.1092 75.9763 -59.4792 75.9767 109.154 GPRESSURE: 1946600 26.2181 -68.5573 -123.746 -150.858 -115.44 138.404 92.4675 -72.576 113.376 PRESSAVG: 1946600 -41.2198 -9.33351 -19.898 -9.3335 11.6966 0.114001 -19.898 0.114038 24.2539 GPRESSAVG: 1946600 -41.3727 -9.14115 -18.4676 -9.17641 11.7223 0.394707 -18.1724 -1.80984 24.4676 TIMING: 1946600 CPU: 6212.55, 0.00318059/step Wall: 6212.55, 0.00318059/step, 2.69767 hours remaining, 239.769531 MB of memory in use. ENERGY: 1946600 4045.4544 20391.3190 14459.0609 237.3761 -203172.9772 2796.5316 0.0000 0.0000 52139.8661 -109103.3690 299.6485 -161243.2351 -108730.3052 299.6976 -20.3875 8.0515 761751.1729 -1.7564 -1.7276 PRESSURE: 1946800 -265.451 61.2989 162.495 61.2987 261.534 29.1788 162.494 29.1788 -470.711 GPRESSURE: 1946800 -205.48 50.1161 135.005 57.7807 171.005 83.6628 59.519 28.946 -365.675 PRESSAVG: 1946800 -60.1121 -43.6989 -3.4455 -43.6989 69.2762 -26.7035 -3.44549 -26.7035 -11.1979 GPRESSAVG: 1946800 -59.8323 -43.4873 -4.32171 -44.6814 68.713 -24.3691 -4.21814 -26.0968 -10.6051 TIMING: 1946800 CPU: 6213.19, 0.00318899/step Wall: 6213.19, 0.00318899/step, 2.70462 hours remaining, 239.769531 MB of memory in use. ENERGY: 1946800 3989.5980 20594.4458 14483.6221 247.1028 -202882.2722 2261.1425 0.0000 0.0000 52126.7469 -109179.6140 299.5731 -161306.3609 -108811.9394 299.4912 -158.2093 -133.3831 762086.9682 -0.6779 -0.5748 PRESSURE: 1947000 -199.951 -206.155 147.782 -206.156 -236.546 110.585 147.782 110.585 -96.8436 GPRESSURE: 1947000 -237.944 -177.086 144.908 -138.088 -150.061 161.475 64.7712 91.1055 -54.9941 PRESSAVG: 1947000 -34.6956 -29.6265 -25.8476 -29.6264 43.1385 42.9902 -25.8476 42.9902 -1.12046 GPRESSAVG: 1947000 -34.8668 -30.3764 -25.1433 -28.5745 44.1031 40.5309 -26.6389 43.7195 -1.8699 TIMING: 1947000 CPU: 6213.82, 0.00316483/step Wall: 6213.82, 0.00316483/step, 2.68395 hours remaining, 239.769531 MB of memory in use. ENERGY: 1947000 4023.5418 20400.8880 14445.5285 245.0900 -203152.1283 2844.3971 0.0000 0.0000 52308.4399 -108884.2431 300.6173 -161192.6830 -108504.2177 299.8593 -177.7799 -147.6663 762827.0146 2.4408 2.4555 PRESSURE: 1947200 141.258 -45.9143 -33.8923 -45.9145 -349.114 161.605 -33.8918 161.604 -50.6953 GPRESSURE: 1947200 73.221 45.0852 -139.466 -67.5553 -198.374 92.1145 -28.2587 200.151 -43.8521 PRESSAVG: 1947200 -65.0855 -19.4054 -25.2734 -19.4054 83.0943 50.0895 -25.2734 50.0895 6.17578 GPRESSAVG: 1947200 -64.1245 -17.282 -25.9913 -18.7382 82.4667 48.7662 -25.9874 50.5483 6.25613 TIMING: 1947200 CPU: 6214.46, 0.00317778/step Wall: 6214.46, 0.00317778/step, 2.69476 hours remaining, 239.769531 MB of memory in use. ENERGY: 1947200 4008.3012 20490.1606 14529.1043 254.4821 -202919.4215 2512.3823 0.0000 0.0000 52048.8184 -109076.1726 299.1253 -161124.9910 -108709.4664 299.8675 -86.1837 -56.3350 763482.3345 8.0615 8.1994 PRESSURE: 1947400 150.945 194.655 15.8146 194.655 -45.9051 -49.8743 15.8147 -49.8747 -122.624 GPRESSURE: 1947400 179.002 178.758 -20.5235 155.522 -28.6387 2.38618 -118.517 -88.3871 -76.4306 PRESSAVG: 1947400 -2.76461 -15.3839 -7.27255 -15.3839 4.24194 -27.2703 -7.27256 -27.2703 11.8436 GPRESSAVG: 1947400 -1.91887 -18.3573 -5.42942 -15.4483 4.80346 -27.6173 -5.40017 -27.3675 11.0219 TIMING: 1947400 CPU: 6215.1, 0.00321809/step Wall: 6215.1, 0.00321809/step, 2.72876 hours remaining, 239.769531 MB of memory in use. ENERGY: 1947400 3975.9372 20627.8496 14461.2186 238.7609 -202793.5709 2589.5496 0.0000 0.0000 52002.9457 -108897.3093 298.8616 -160900.2550 -108528.6711 299.6620 -5.8616 24.6442 762080.2870 4.4403 4.6355 PRESSURE: 1947600 123.23 -32.0828 -154.252 -32.0836 -72.097 245.411 -154.252 245.41 -248.72 GPRESSURE: 1947600 185.065 -23.8704 -85.1584 -134.261 -128.391 245.177 -73.5141 257.853 -168.024 PRESSAVG: 1947600 -11.607 -30.0139 -56.8933 -30.0139 41.4521 21.7933 -56.8933 21.7932 23.8551 GPRESSAVG: 1947600 -12.2548 -28.945 -57.9892 -29.4624 41.5326 23.1446 -57.4626 20.5522 25.1644 TIMING: 1947600 CPU: 6215.74, 0.00319537/step Wall: 6215.74, 0.00319537/step, 2.70932 hours remaining, 239.769531 MB of memory in use. ENERGY: 1947600 3942.8012 20569.3042 14544.2823 240.2559 -203021.2989 2646.7347 0.0000 0.0000 52459.2902 -108618.6304 301.4843 -161077.9206 -108263.5784 300.3851 -65.8622 -37.1167 762690.3722 17.9001 18.1474 PRESSURE: 1947800 -2.82115 10.4281 -28.5998 10.4286 120.913 -72.5544 -28.5993 -72.5556 -10.4168 GPRESSURE: 1947800 58.5107 -31.8476 -16.83 91.7896 37.0126 -39.8342 59.7692 -164.627 74.3383 PRESSAVG: 1947800 -26.6603 -7.4298 -24.2615 -7.42987 26.5878 -30.6214 -24.2614 -30.6214 9.51756 GPRESSAVG: 1947800 -26.8043 -5.19979 -24.0489 -7.6826 26.3403 -30.1686 -24.2784 -30.2986 9.67345 TIMING: 1947800 CPU: 6216.38, 0.00319312/step Wall: 6216.38, 0.00319312/step, 2.70723 hours remaining, 239.769531 MB of memory in use. ENERGY: 1947800 4072.4388 20575.4890 14463.8451 250.5324 -202590.1301 2482.6080 0.0000 0.0000 52196.1752 -108549.0416 299.9721 -160745.2168 -108191.9090 301.2344 35.8917 56.6205 764105.6742 3.1484 3.0698 PRESSURE: 1948000 -21.4715 -89.3955 77.2506 -89.3954 251.296 180.121 77.251 180.121 56.9383 GPRESSURE: 1948000 85.996 29.3773 72.8122 -52.0452 182.11 147.898 83.973 108.248 98.4136 PRESSAVG: 1948000 -29.3978 -19.5175 -27.1585 -19.5175 24.0243 12.6691 -27.1584 12.6692 -4.5629 GPRESSAVG: 1948000 -28.5526 -21.2714 -26.1993 -18.5101 22.6686 12.8575 -26.5059 12.3556 -4.07733 TIMING: 1948000 CPU: 6217.02, 0.0031768/step Wall: 6217.02, 0.0031768/step, 2.69322 hours remaining, 239.769531 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: 1948000 4053.5009 20495.5082 14465.2498 263.9269 -203049.1258 2739.3940 0.0000 0.0000 52301.4880 -108730.0578 300.5774 -161031.5459 -108356.6221 300.5050 95.5876 122.1732 761885.1985 -3.3121 -3.3205 PRESSURE: 1948200 16.5839 132.244 44.5049 132.243 -21.0734 186.812 44.505 186.812 -271.381 GPRESSURE: 1948200 29.7955 77.5463 133.1 124.625 -37.3185 167.738 33.1281 135.286 -169.731 PRESSAVG: 1948200 -68.5366 -16.36 58.4653 -16.36 59.039 -5.47619 58.4653 -5.47617 -1.56259 GPRESSAVG: 1948200 -68.3539 -14.9277 56.7492 -16.8347 59.4225 -6.8274 59.3961 -4.54658 -2.26763 TIMING: 1948200 CPU: 6217.65, 0.00317623/step Wall: 6217.65, 0.00317623/step, 2.69256 hours remaining, 239.769531 MB of memory in use. ENERGY: 1948200 3986.5995 20611.7975 14373.6013 258.0444 -202592.0489 2410.8734 0.0000 0.0000 52218.6851 -108732.4477 300.1015 -160951.1327 -108367.3156 300.1650 -91.9567 -59.0845 764515.7715 -3.6867 -3.7330 LDB: ============= START OF LOAD BALANCING ============== 6230.1 LDB: ============== END OF LOAD BALANCING =============== 6230.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6230.11 LDB: ============= START OF LOAD BALANCING ============== 6230.42 LDB: Largest compute 7070 load 0.037621 is 19.3% of average load 0.195082 LDB: Average compute 0.004409 is 2.3% of average load 0.195082 LDB: TIME 6230.43 LOAD: AVG 0.195082 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.797 MB LDB: TIME 6230.43 LOAD: AVG 0.195082 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 6230.43 LOAD: AVG 0.195082 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 6230.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6230.43 PRESSURE: 1948400 512.872 128.425 84.5923 128.425 99.6866 -155.757 84.5924 -155.757 247.218 GPRESSURE: 1948400 478.337 34.7159 38.8927 126.387 203.285 -175.783 198.964 -187.302 258.168 PRESSAVG: 1948400 30.5661 -11.3435 19.3682 -11.3434 -38.2889 -5.7282 19.3682 -5.72811 -13.5477 GPRESSAVG: 1948400 30.335 -12.3747 19.5492 -10.5996 -38.1223 -4.16027 18.867 -5.05074 -13.0488 TIMING: 1948400 CPU: 6218.3, 0.00323972/step Wall: 6218.3, 0.00323972/step, 2.7462 hours remaining, 240.929688 MB of memory in use. ENERGY: 1948400 4004.3710 20474.4120 14538.9881 257.9654 -203430.4560 2893.0956 0.0000 0.0000 52434.4661 -108827.1578 301.3416 -161261.6239 -108463.0724 300.3340 286.5922 313.2636 761277.6918 -7.0902 -6.9454 PRESSURE: 1948600 82.1374 73.9941 -174.572 73.9942 8.1517 -147.722 -174.573 -147.723 -159.637 GPRESSURE: 1948600 140.597 216.356 -21.3719 -76.5225 -34.0508 -67.692 -186.588 -149.313 -102.301 PRESSAVG: 1948600 46.7354 -3.34766 4.78573 -3.34767 -76.2089 0.337987 4.78581 0.337954 -6.51576 GPRESSAVG: 1948600 46.0807 -0.717433 3.77355 -6.29077 -74.4103 -1.17696 5.96834 -1.0123 -6.82623 TIMING: 1948600 CPU: 6218.93, 0.00315787/step Wall: 6218.93, 0.00315787/step, 2.67665 hours remaining, 240.929688 MB of memory in use. ENERGY: 1948600 4054.8981 20462.8223 14484.0322 254.0425 -202840.8849 2375.7143 0.0000 0.0000 52274.1358 -108935.2397 300.4202 -161209.3755 -108562.4195 300.0961 -23.1160 1.4150 762733.7323 -11.9964 -11.7186 PRESSURE: 1948800 20.787 -196.308 18.5066 -196.308 -233.131 -128.358 18.5078 -128.357 84.1077 GPRESSURE: 1948800 103.778 -222.501 -48.4837 -215.326 -241.605 -166.173 19.8484 -80.6374 87.8353 PRESSAVG: 1948800 51.0463 -41.5659 -12.6329 -41.5659 -51.3951 -6.56243 -12.6328 -6.56244 12.1369 GPRESSAVG: 1948800 49.5633 -41.8206 -11.5738 -40.2291 -51.1734 -6.11242 -11.9937 -5.54591 13.308 TIMING: 1948800 CPU: 6219.57, 0.00318475/step Wall: 6219.57, 0.00318475/step, 2.69926 hours remaining, 240.929688 MB of memory in use. ENERGY: 1948800 4031.1280 20565.1065 14475.0384 228.5218 -202979.3430 2696.9004 0.0000 0.0000 52351.4509 -108631.1970 300.8645 -160982.6479 -108265.1151 300.0780 -42.7454 -16.6637 761290.2365 3.9294 3.8993 PRESSURE: 1949000 117.684 -73.5918 -63.8581 -73.5914 82.919 308.887 -63.8592 308.889 -449.745 GPRESSURE: 1949000 137.348 -27.382 -140.973 -6.08885 -11.3828 330.486 -55.9239 225.799 -319.95 PRESSAVG: 1949000 8.35762 -41.5955 -54.9924 -41.5956 -16.9447 1.64314 -54.9924 1.64316 7.86251 GPRESSAVG: 1949000 9.38472 -42.2211 -54.816 -39.6385 -17.8726 1.63564 -56.4607 2.58572 7.47279 TIMING: 1949000 CPU: 6220.2, 0.00317522/step Wall: 6220.2, 0.00317522/step, 2.691 hours remaining, 240.929688 MB of memory in use. ENERGY: 1949000 4027.6201 20670.8128 14461.0968 253.3200 -202735.4740 2463.4182 0.0000 0.0000 52290.8734 -108568.3327 300.5164 -160859.2061 -108208.0673 300.8912 -83.0472 -64.6616 763018.4363 -0.2415 -0.3383 PRESSURE: 1949200 268.743 -58.4442 385.115 -58.4451 305.976 -77.3465 385.114 -77.3456 430.894 GPRESSURE: 1949200 288.124 -176.672 309.947 -14.3439 316.348 -131.231 299.41 -31.9155 483.363 PRESSAVG: 1949200 10.4668 -23.7171 13.2407 -23.7171 -38.5615 32.7542 13.2407 32.7542 2.04339 GPRESSAVG: 1949200 11.7884 -25.6245 11.9426 -23.4891 -38.815 32.6887 13.0931 31.2638 0.529692 TIMING: 1949200 CPU: 6220.84, 0.00318181/step Wall: 6220.84, 0.00318181/step, 2.69641 hours remaining, 240.929688 MB of memory in use. ENERGY: 1949200 3986.2154 20620.5465 14507.1500 255.7107 -203630.0264 3121.9816 0.0000 0.0000 52394.5423 -108743.8800 301.1122 -161138.4223 -108374.3948 300.4077 335.2043 362.6116 761834.4629 -8.6838 -8.8323 PRESSURE: 1949400 64.5652 65.6461 107.768 65.6466 117.895 -173.687 107.768 -173.687 -393.335 GPRESSURE: 1949400 60.4463 -51.55 178.899 76.2437 94.4337 -32.5801 78.4623 -176.06 -258.198 PRESSAVG: 1949400 23.112 -48.1278 61.7425 -48.1278 -10.6717 -11.8232 61.7425 -11.8232 11.239 GPRESSAVG: 1949400 22.46 -47.1769 60.5651 -50.2755 -10.9564 -11.368 62.4349 -10.7576 12.3526 TIMING: 1949400 CPU: 6221.48, 0.00319151/step Wall: 6221.48, 0.00319151/step, 2.70445 hours remaining, 240.929688 MB of memory in use. ENERGY: 1949400 4024.3170 20776.5014 14533.8520 250.6334 -203070.9196 2526.4170 0.0000 0.0000 52158.3887 -108800.8100 299.7550 -160959.1987 -108446.7325 300.6765 -70.2917 -34.4394 760491.3776 7.8931 7.9521 PRESSURE: 1949600 -46.797 84.1474 -83.2467 84.1477 -67.4658 -68.6353 -83.2463 -68.6353 -47.9427 GPRESSURE: 1949600 -6.56354 11.7402 -98.9253 43.3877 -20.8657 -28.0105 -3.15587 -39.2021 -51.2208 PRESSAVG: 1949600 17.9489 -71.8098 36.7851 -71.8098 -32.9093 20.1547 36.7851 20.1546 -17.4101 GPRESSAVG: 1949600 16.8434 -71.8177 38.0496 -71.9574 -31.746 19.9131 35.6939 19.5325 -17.7958 TIMING: 1949600 CPU: 6222.12, 0.00319798/step Wall: 6222.12, 0.00319798/step, 2.70975 hours remaining, 240.929688 MB of memory in use. ENERGY: 1949600 4018.0534 20654.3697 14520.8212 275.1620 -203155.2541 2408.3646 0.0000 0.0000 52522.5078 -108755.9754 301.8476 -161278.4832 -108391.8100 300.4008 -54.0685 -26.2167 762539.2746 -10.7901 -10.8995 PRESSURE: 1949800 -104.817 53.0969 -87.891 53.0976 187.363 142.075 -87.8905 142.074 454.675 GPRESSURE: 1949800 -14.5664 -34.8965 -11.3688 93.746 159.559 78.2491 -151.796 201.213 461.668 PRESSAVG: 1949800 -33.8074 -28.1531 3.79009 -28.1531 5.39952 -18.8792 3.79006 -18.8792 24.5811 GPRESSAVG: 1949800 -32.9418 -29.1362 5.15663 -27.9573 5.10904 -19.2234 4.91634 -18.2589 24.3278 TIMING: 1949800 CPU: 6222.76, 0.00319556/step Wall: 6222.76, 0.00319557/step, 2.70753 hours remaining, 240.929688 MB of memory in use. ENERGY: 1949800 4006.8133 20664.8698 14530.1128 254.6863 -202896.1277 2602.4206 0.0000 0.0000 51913.4527 -108923.7722 298.3473 -160837.2249 -108558.9795 300.5473 179.0738 202.2203 763336.4071 -1.2756 -1.1683 PRESSURE: 1950000 -145.983 149.059 203.322 149.058 175.74 15.4262 203.323 15.4267 86.0657 GPRESSURE: 1950000 -94.0743 178.322 265.793 109.758 113.065 -27.6366 53.9705 85.9177 173.475 PRESSAVG: 1950000 -46.5644 -7.85492 28.5116 -7.85493 33.1652 -44.9387 28.5116 -44.9388 -19.4005 GPRESSAVG: 1950000 -45.5487 -6.37674 27.1913 -7.28068 31.1595 -43.3933 26.8861 -45.6615 -18.7798 TIMING: 1950000 CPU: 6223.39, 0.00317223/step Wall: 6223.39, 0.00317223/step, 2.68759 hours remaining, 240.929688 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: 1950000 3909.3375 20661.7932 14448.7345 231.2430 -203162.0412 2703.2023 0.0000 0.0000 52261.2552 -108946.4755 300.3462 -161207.7306 -108587.0240 300.2924 38.6075 64.1552 761484.9936 -10.9332 -11.0563 PRESSURE: 1950200 -92.4772 -225.339 -4.8487 -225.338 195.095 16.3625 -4.84838 16.3634 -252.853 GPRESSURE: 1950200 -24.6393 -254.674 18.6638 -204.823 212.722 -63.8123 -119.788 94.4452 -242.089 PRESSAVG: 1950200 -4.85697 -43.7853 27.6089 -43.7853 43.483 -67.2628 27.6089 -67.2628 1.50903 GPRESSAVG: 1950200 -4.15153 -44.1294 29.5876 -43.1572 43.502 -66.4519 26.3071 -68.3934 0.419576 TIMING: 1950200 CPU: 6224.02, 0.00316266/step Wall: 6224.02, 0.00316266/step, 2.6793 hours remaining, 240.929688 MB of memory in use. ENERGY: 1950200 3972.6869 20442.8410 14450.5506 253.9656 -203063.7635 2324.6717 0.0000 0.0000 52467.8080 -109151.2396 301.5332 -161619.0477 -108775.1802 300.7011 -50.0783 -18.0021 760904.9985 13.3784 13.2567 PRESSURE: 1950400 -218.535 114.81 -120.01 114.809 -225.587 62.6801 -120.01 62.6797 -81.4715 GPRESSURE: 1950400 -214.977 233.272 -175.066 142.066 -192.261 52.4749 49.9096 -40.3734 -20.4616 PRESSAVG: 1950400 9.98893 -23.4724 17.2509 -23.4724 -13.4321 -10.0275 17.2509 -10.0275 28.3367 GPRESSAVG: 1950400 9.67183 -23.3529 15.5304 -25.0479 -13.0239 -11.3815 19.483 -10.2563 27.7917 TIMING: 1950400 CPU: 6224.65, 0.00316276/step Wall: 6224.65, 0.00316276/step, 2.67921 hours remaining, 240.929688 MB of memory in use. ENERGY: 1950400 4027.8614 20469.1244 14508.0564 241.8716 -202391.8262 1952.9269 0.0000 0.0000 52219.2438 -108972.7418 300.1047 -161191.9856 -108596.3530 299.6785 -175.1979 -142.5666 762110.1675 8.2979 8.1465 PRESSURE: 1950600 10.4768 -121.571 69.8969 -121.572 -74.2281 -56.8385 69.8973 -56.8384 297.517 GPRESSURE: 1950600 32.6506 -49.9099 -2.90224 -157.021 -12.5846 -52.1269 -106.36 -95.4528 322.925 PRESSAVG: 1950600 -21.1883 -0.985027 -48.6001 -0.984989 5.76885 -6.89478 -48.6001 -6.89476 -18.5414 GPRESSAVG: 1950600 -21.8894 -0.946631 -48.8998 0.39742 6.91309 -7.55448 -48.7935 -5.38355 -18.7899 TIMING: 1950600 CPU: 6225.3, 0.00320534/step Wall: 6225.3, 0.00320534/step, 2.7151 hours remaining, 240.929688 MB of memory in use. ENERGY: 1950600 3901.6106 20392.8500 14503.8336 230.3708 -202900.9104 2681.3562 0.0000 0.0000 52060.2546 -109130.6347 299.1910 -161190.8893 -108772.7713 299.3176 77.9219 114.3305 762684.9737 -11.3203 -11.2554 PRESSURE: 1950800 -13.8989 126.681 56.3715 126.681 85.3221 128.915 56.3716 128.914 -208.884 GPRESSURE: 1950800 37.7081 11.9016 79.1773 195.709 47.6275 168.564 -70.837 19.4164 -145.261 PRESSAVG: 1950800 5.19869 -6.13838 -6.61629 -6.13837 -14.4076 -10.2476 -6.61629 -10.2476 11.2272 GPRESSAVG: 1950800 6.22872 -5.88926 -5.38658 -6.8069 -15.4765 -8.66358 -4.94661 -12.5318 11.5031 TIMING: 1950800 CPU: 6225.94, 0.00322235/step Wall: 6225.94, 0.00322235/step, 2.72933 hours remaining, 240.929688 MB of memory in use. ENERGY: 1950800 4017.9422 20478.4149 14493.9372 238.9632 -202774.5717 2464.6197 0.0000 0.0000 52170.6124 -108910.0821 299.8252 -161080.6945 -108552.0337 299.6494 -45.8203 -19.9752 763023.9996 0.6727 0.7518 PRESSURE: 1951000 -2.12331 49.9264 134.338 49.927 352.527 -260.431 134.338 -260.431 137.346 GPRESSURE: 1951000 159.969 126.158 185.735 88.0313 279.457 -144.494 23.5188 -326.619 121.451 PRESSAVG: 1951000 -6.27529 14.3239 -23.5083 14.3238 4.23268 1.41118 -23.5083 1.41119 -3.44273 GPRESSAVG: 1951000 -7.01136 13.2808 -23.5443 13.6509 4.19109 3.6894 -26.9897 1.14505 -3.25365 TIMING: 1951000 CPU: 6226.58, 0.00317578/step Wall: 6226.58, 0.00317578/step, 2.68971 hours remaining, 240.929688 MB of memory in use. ENERGY: 1951000 4007.5050 20654.3910 14509.4791 241.6468 -203017.9842 2564.6038 0.0000 0.0000 52183.8849 -108856.4737 299.9015 -161040.3586 -108495.9668 300.1838 162.5832 186.9592 761962.5801 -1.8284 -2.0246 PRESSURE: 1951200 87.3175 -66.7304 -90.9047 -66.73 -191.832 36.3132 -90.9048 36.313 377.241 GPRESSURE: 1951200 80.2681 -68.4004 -89.4539 57.3222 -39.2958 79.9804 -45.5365 -105.22 317.012 PRESSAVG: 1951200 -7.73657 -7.18311 -14.944 -7.18313 50.3952 -28.9966 -14.9441 -28.9966 6.9623 GPRESSAVG: 1951200 -8.68421 -6.21008 -16.5166 -6.59026 51.5578 -31.066 -14.1794 -29.1372 7.21123 TIMING: 1951200 CPU: 6227.21, 0.003174/step Wall: 6227.21, 0.003174/step, 2.68803 hours remaining, 240.929688 MB of memory in use. ENERGY: 1951200 4087.8132 20509.2931 14570.7640 264.9737 -203386.5749 2742.5408 0.0000 0.0000 52221.7258 -108989.4644 300.1190 -161211.1902 -108627.7237 300.0547 90.9087 119.3282 761165.1675 16.5403 16.6949 PRESSURE: 1951400 -150.279 69.1739 -17.8676 69.1726 -349.598 -79.3171 -17.8671 -79.317 63.2748 GPRESSURE: 1951400 -170.587 -62.2205 25.3341 23.5759 -333.715 -115.1 -64.4487 -23.1601 138.414 PRESSAVG: 1951400 107.713 -68.2281 46.4084 -68.2281 -58.4983 -11.9345 46.4084 -11.9345 2.21003 GPRESSAVG: 1951400 107.609 -67.7374 47.5261 -69.2661 -58.3379 -13.6078 47.9099 -9.23862 2.61579 TIMING: 1951400 CPU: 6227.85, 0.00318764/step Wall: 6227.85, 0.00318764/step, 2.6994 hours remaining, 240.929688 MB of memory in use. ENERGY: 1951400 3971.7826 20675.8247 14458.2947 258.1219 -202477.2929 2384.3770 0.0000 0.0000 51927.1731 -108801.7188 298.4262 -160728.8919 -108426.2469 300.2919 -145.5342 -121.9627 761920.0298 17.1415 17.2957 PRESSURE: 1951600 -30.0759 5.88602 -58.5521 5.88562 30.4622 -103.658 -58.5514 -103.659 -25.2436 GPRESSURE: 1951600 100.389 15.5512 -154.91 -10.4349 -9.5513 -98.1323 66.2596 -100.236 -19.6968 PRESSAVG: 1951600 -26.1792 -33.7336 -0.144825 -33.7336 20.7617 -23.114 -0.144837 -23.1139 6.11755 GPRESSAVG: 1951600 -24.0886 -35.1955 -2.09521 -32.5539 20.4485 -22.8534 0.528206 -25.0764 3.8393 TIMING: 1951600 CPU: 6228.49, 0.00318764/step Wall: 6228.49, 0.00318764/step, 2.69922 hours remaining, 240.929688 MB of memory in use. ENERGY: 1951600 3987.1200 20599.6460 14418.6666 230.6559 -202594.6440 2397.2030 0.0000 0.0000 52310.7466 -108650.6059 300.6306 -160961.3525 -108280.1299 300.2772 -8.2858 23.7135 762460.8707 0.2334 0.0664 PRESSURE: 1951800 179.866 -99.1131 -29.2441 -99.1144 64.2551 160.024 -29.2447 160.023 39.114 GPRESSURE: 1951800 149.893 -121.118 -53.6974 -128.336 116.365 210.324 -33.8633 170.79 111.269 PRESSAVG: 1951800 41.1381 2.90542 0.471548 2.90548 -33.2121 -16.6851 0.471542 -16.685 23.7744 GPRESSAVG: 1951800 40.5111 3.40515 0.992454 2.76601 -33.7876 -17.0061 0.365754 -15.9648 25.339 TIMING: 1951800 CPU: 6229.13, 0.00320943/step Wall: 6229.13, 0.00320943/step, 2.7175 hours remaining, 240.929688 MB of memory in use. ENERGY: 1951800 4035.9473 20558.7766 14550.6685 238.5895 -202960.3648 2602.6379 0.0000 0.0000 52208.0484 -108765.6966 300.0404 -160973.7450 -108397.8195 300.5805 94.4117 125.8424 762397.1420 10.5668 10.6875 PRESSURE: 1952000 226.875 -102.178 124.073 -102.177 127.322 -80.6611 124.073 -80.6611 272.868 GPRESSURE: 1952000 362.966 -105.829 134.237 -97.7564 73.5417 -185.985 120.138 -133.259 260.128 PRESSAVG: 1952000 12.3001 -34.3307 37.513 -34.3307 -56.329 -3.08933 37.513 -3.08936 -7.54899 GPRESSAVG: 1952000 11.796 -35.1563 36.8591 -35.8461 -56.4532 -3.99102 39.1667 -4.36986 -7.33679 TIMING: 1952000 CPU: 6229.77, 0.00323175/step Wall: 6229.77, 0.00323175/step, 2.73622 hours remaining, 240.929688 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: 1952000 4049.3864 20598.2158 14468.2693 266.2661 -203027.6828 2541.3254 0.0000 0.0000 52317.9941 -108786.2257 300.6722 -161104.2198 -108429.8038 300.4599 209.0218 232.2118 763064.1276 -17.1926 -17.3313 PRESSURE: 1952200 -43.6216 43.3822 -80.8594 43.3824 -222.932 -1.06291 -80.8597 -1.06204 17.1127 GPRESSURE: 1952200 102.277 -126.244 -91.679 44.448 -217.456 35.5131 -7.1606 -124.877 -39.944 PRESSAVG: 1952200 9.82613 -77.0007 -1.25176 -77.0006 -28.2992 -32.6074 -1.25173 -32.6074 13.2312 GPRESSAVG: 1952200 12.1312 -76.6263 -0.409981 -75.0993 -28.0209 -32.4387 -1.58723 -32.669 10.7362 TIMING: 1952200 CPU: 6230.42, 0.0032361/step Wall: 6230.42, 0.0032361/step, 2.73972 hours remaining, 240.929688 MB of memory in use. ENERGY: 1952200 3926.3741 20612.6341 14494.1286 243.9156 -202870.1424 2328.8458 0.0000 0.0000 52371.0587 -108893.1855 300.9772 -161264.2443 -108525.3657 300.1017 -83.1471 -51.7075 761736.7253 -1.7473 -1.7178 LDB: ============= START OF LOAD BALANCING ============== 6242.88 LDB: ============== END OF LOAD BALANCING =============== 6242.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6242.88 LDB: ============= START OF LOAD BALANCING ============== 6243.2 LDB: Largest compute 7071 load 0.037869 is 19.4% of average load 0.195065 LDB: Average compute 0.004392 is 2.3% of average load 0.195065 LDB: TIME 6243.2 LOAD: AVG 0.195065 MAX 0.215281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.461 MB LDB: TIME 6243.2 LOAD: AVG 0.195065 MAX 0.215281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.465 MB LDB: TIME 6243.2 LOAD: AVG 0.195065 MAX 0.215281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.465 MB LDB: ============== END OF LOAD BALANCING =============== 6243.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6243.21 PRESSURE: 1952400 -309.4 -357.521 -167.459 -357.521 -43.6988 -112.361 -167.46 -112.361 222.408 GPRESSURE: 1952400 -241.501 -179.467 -92.385 -274.685 -80.7914 -40.5772 -156.115 -0.526419 270.564 PRESSAVG: 1952400 42.4688 -62.9968 -3.85544 -62.9968 -20.2845 1.80565 -3.85548 1.80561 1.66061 GPRESSAVG: 1952400 41.1039 -62.3193 -4.65468 -63.7447 -21.0559 3.14284 -3.99908 2.37283 3.57846 TIMING: 1952400 CPU: 6231.07, 0.00325767/step Wall: 6231.07, 0.00325768/step, 2.7578 hours remaining, 240.296875 MB of memory in use. ENERGY: 1952400 3995.5702 20700.6373 14422.8617 250.6606 -203426.1479 2508.2182 0.0000 0.0000 52502.4818 -109045.7182 301.7325 -161548.2000 -108680.1368 300.2390 -43.5638 -17.2428 761844.4943 7.9483 7.8755 PRESSURE: 1952600 -183.072 -81.6318 420.951 -81.6322 -79.9101 103.592 420.952 103.593 120.075 GPRESSURE: 1952600 -102.78 84.9484 305.864 -49.9162 -79.9605 123.05 234.69 35.8532 127.308 PRESSAVG: 1952600 -9.85697 -64.7902 40.3609 -64.7902 -4.7734 -16.6647 40.3609 -16.6646 -1.03601 GPRESSAVG: 1952600 -10.152 -65.2277 39.7224 -63.2436 -4.89268 -17.0608 38.5846 -18.0653 -0.819183 TIMING: 1952600 CPU: 6231.71, 0.00320602/step Wall: 6231.71, 0.00320602/step, 2.7139 hours remaining, 240.296875 MB of memory in use. ENERGY: 1952600 4044.5179 20653.7596 14564.7622 234.9436 -203248.5859 2585.0736 0.0000 0.0000 52078.5711 -109086.9579 299.2963 -161165.5291 -108714.4441 300.1285 -47.6356 -18.4775 763137.9097 -5.2221 -5.2880 PRESSURE: 1952800 -20.3294 -9.89062 -313.213 -9.89086 -318.005 -37.5992 -313.213 -37.5988 104.705 GPRESSURE: 1952800 -4.72085 -5.92223 -320.648 21.091 -192.186 -47.2199 -201.271 -98.426 60.0442 PRESSAVG: 1952800 -12.5238 -38.5441 -39.7611 -38.5441 -17.262 -6.69725 -39.7611 -6.69728 -0.244971 GPRESSAVG: 1952800 -13.1269 -37.799 -38.9798 -38.3758 -16.1882 -7.97024 -38.8281 -2.5995 -0.629531 TIMING: 1952800 CPU: 6232.36, 0.00322432/step Wall: 6232.36, 0.00322432/step, 2.7292 hours remaining, 240.296875 MB of memory in use. ENERGY: 1952800 4008.4254 20336.4646 14438.1203 261.2495 -202821.5829 2521.8805 0.0000 0.0000 52009.9177 -109245.5249 298.9017 -161255.4427 -108874.9109 299.7235 -77.8766 -45.6210 762914.2587 -10.0103 -9.9816 PRESSURE: 1953000 -323.027 -103.378 133.801 -103.378 -223.7 191.518 133.801 191.518 75.1424 GPRESSURE: 1953000 -283.265 -131.254 42.2873 -91.0604 -148.835 191.841 108.09 193.437 53.4758 PRESSAVG: 1953000 3.65553 -25.1325 -8.26695 -25.1325 -0.744215 -7.16133 -8.26693 -7.16133 14.784 GPRESSAVG: 1953000 4.09659 -23.7569 -8.33472 -27.7176 -0.21059 -6.6635 -6.72592 -9.72566 14.5327 TIMING: 1953000 CPU: 6233.01, 0.00323538/step Wall: 6233.01, 0.00323538/step, 2.73839 hours remaining, 240.296875 MB of memory in use. ENERGY: 1953000 4004.8455 20541.9529 14470.6115 238.0321 -203376.2414 2628.2335 0.0000 0.0000 52212.3769 -109280.1891 300.0652 -161492.5660 -108907.4249 299.6818 -157.1949 -126.2079 763071.9803 5.8984 6.1396 PRESSURE: 1953200 -1.74769 78.3673 -143.197 78.3672 -18.5707 -79.0986 -143.197 -79.0993 -197.719 GPRESSURE: 1953200 65.294 19.4695 -159.098 58.3674 -33.4151 -38.455 -140.106 -24.322 -149.723 PRESSAVG: 1953200 -0.778671 -74.5302 -14.2094 -74.5302 17.6915 -46.9982 -14.2094 -46.9983 8.03644 GPRESSAVG: 1953200 -0.438443 -76.2596 -13.3757 -73.3752 16.2576 -48.24 -16.7418 -45.5386 8.67798 TIMING: 1953200 CPU: 6233.64, 0.00318728/step Wall: 6233.64, 0.00318728/step, 2.69751 hours remaining, 240.296875 MB of memory in use. ENERGY: 1953200 3969.7555 20465.5758 14484.0261 253.4534 -203437.5298 2735.7713 0.0000 0.0000 52357.5812 -109171.3665 300.8997 -161528.9478 -108789.1119 299.4692 -72.6792 -39.2814 762252.4010 8.3164 8.1657 PRESSURE: 1953400 56.6575 -82.4138 65.1367 -82.4145 164.712 -212.05 65.1371 -212.048 103.005 GPRESSURE: 1953400 100.352 -187.973 95.9408 -87.6678 195.081 -207.561 133.566 -233.942 101.645 PRESSAVG: 1953400 11.8624 19.7535 7.89442 19.7535 -14.0088 33.5332 7.89444 33.5333 0.70729 GPRESSAVG: 1953400 10.3713 20.0611 7.2914 20.1314 -13.5567 34.2163 8.88515 34.7353 1.05037 TIMING: 1953400 CPU: 6234.29, 0.00321036/step Wall: 6234.29, 0.00321036/step, 2.71686 hours remaining, 240.296875 MB of memory in use. ENERGY: 1953400 3980.0661 20517.0894 14455.8689 252.8287 -203380.2017 2801.7305 0.0000 0.0000 52220.3416 -109152.2765 300.1110 -161372.6181 -108785.1625 298.9781 108.1249 132.3591 761073.1044 -0.4797 -0.7117 PRESSURE: 1953600 -80.1328 49.4702 119.343 49.4697 68.6213 146.722 119.344 146.723 34.2786 GPRESSURE: 1953600 22.5525 -35.7413 169.044 35.8874 53.1889 164.346 84.8672 184.863 51.1106 PRESSAVG: 1953600 38.4027 -42.6818 -6.66117 -42.6818 -9.12127 77.2295 -6.66118 77.2296 1.6289 GPRESSAVG: 1953600 38.8762 -43.4992 -5.37432 -42.5007 -10.0935 77.523 -6.1725 74.2566 1.76262 TIMING: 1953600 CPU: 6234.93, 0.00323037/step Wall: 6234.93, 0.00323037/step, 2.73361 hours remaining, 240.296875 MB of memory in use. ENERGY: 1953600 4016.9083 20540.7659 14486.0739 257.4739 -203113.2062 2540.5458 0.0000 0.0000 52165.8598 -109105.5786 299.7979 -161271.4384 -108755.6894 299.4312 7.5890 42.2840 762069.2075 10.3034 10.1818 PRESSURE: 1953800 134.81 -67.1891 -401.307 -67.1884 64.0096 -33.0616 -401.307 -33.0611 83.8936 GPRESSURE: 1953800 183.537 -34.3766 -308.4 -28.8138 109.417 -32.0524 -279.092 47.8561 70.2704 PRESSAVG: 1953800 37.4238 22.0997 -37.0977 22.0996 -2.97458 -20.3394 -37.0977 -20.3393 -8.1397 GPRESSAVG: 1953800 37.3322 20.9328 -37.7173 23.2642 -2.25718 -20.1921 -35.5665 -20.2964 -9.12667 TIMING: 1953800 CPU: 6235.57, 0.00318335/step Wall: 6235.57, 0.00318335/step, 2.69365 hours remaining, 240.296875 MB of memory in use. ENERGY: 1953800 3975.4623 20476.3127 14473.0320 231.2554 -203216.5698 2683.5251 0.0000 0.0000 52297.9790 -109079.0032 300.5572 -161376.9822 -108717.1962 299.8431 94.2379 121.0749 761366.4527 8.7699 8.6494 PRESSURE: 1954000 203.657 71.7087 222 71.7079 -88.7274 121.995 222 121.995 -130.41 GPRESSURE: 1954000 247.773 89.6238 264.849 76.2402 -66.1465 106.54 203.897 76.4028 -107.218 PRESSAVG: 1954000 48.9752 -9.64439 27.337 -9.64442 -63.2321 -67.0322 27.337 -67.0322 8.76212 GPRESSAVG: 1954000 49.1982 -6.88555 26.2932 -10.9893 -64.0292 -66.8602 24.9781 -67.826 8.73392 TIMING: 1954000 CPU: 6236.21, 0.00319341/step Wall: 6236.21, 0.00319341/step, 2.70198 hours remaining, 240.296875 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: 1954000 4007.4826 20618.7100 14536.0914 249.6846 -203394.1194 2549.7663 0.0000 0.0000 51955.7855 -109476.5988 298.5906 -161432.3844 -109117.1661 299.2310 -5.1602 24.8028 760694.4543 -1.8316 -2.0323 PRESSURE: 1954200 6.83808 75.885 47.7834 75.8856 106.797 -101.778 47.7829 -101.78 159.341 GPRESSURE: 1954200 100.648 -26.2292 -12.7326 73.4414 76.6421 -209.492 107.258 -66.5393 171.365 PRESSAVG: 1954200 -0.618135 -39.0074 -28.4056 -39.0074 45.4135 -65.6096 -28.4055 -65.6096 -19.108 GPRESSAVG: 1954200 -0.528869 -40.8207 -26.9826 -38.4579 45.9588 -65.9851 -28.1137 -65.0768 -19.7012 TIMING: 1954200 CPU: 6236.84, 0.00319064/step Wall: 6236.84, 0.00319064/step, 2.69946 hours remaining, 240.296875 MB of memory in use. ENERGY: 1954200 3943.4201 20505.4237 14454.0858 242.6712 -203026.5898 2631.5177 0.0000 0.0000 51780.8975 -109468.5739 297.5855 -161249.4714 -109109.8304 298.8146 90.9920 116.2185 761535.8379 8.5624 8.5762 PRESSURE: 1954400 10.8551 -12.0223 -123.755 -12.0221 -196.314 -73.5349 -123.755 -73.535 -47.3339 GPRESSURE: 1954400 84.1669 13.9713 -231.878 -155.052 -157.854 1.06364 9.05285 -33.3595 -58.8695 PRESSAVG: 1954400 12.6111 -7.46055 -44.5005 -7.46044 -4.08661 -10.675 -44.5006 -10.675 -4.11275 GPRESSAVG: 1954400 11.2699 -7.89472 -44.7449 -7.84865 -3.02595 -9.87525 -44.0785 -11.6944 -4.41959 TIMING: 1954400 CPU: 6237.48, 0.00319811/step Wall: 6237.48, 0.00319811/step, 2.7056 hours remaining, 240.296875 MB of memory in use. ENERGY: 1954400 3982.6255 20392.0147 14470.7811 248.7700 -203362.2018 2470.3818 0.0000 0.0000 52317.8386 -109479.7902 300.6713 -161797.6288 -109118.3835 298.2697 -77.5977 -44.1856 761910.5107 1.4706 1.2748 PRESSURE: 1954600 250.034 -237.363 -198.421 -237.363 280.563 -85.8226 -198.42 -85.8232 128.428 GPRESSURE: 1954600 182.752 -203.81 -187.466 -182.524 370.474 -69.4632 -192.142 -60.3087 186.6 PRESSAVG: 1954600 -5.58938 -20.7558 -71.0407 -20.7558 18.0223 11.7454 -71.0407 11.7454 12.4233 GPRESSAVG: 1954600 -5.9092 -22.1551 -69.2261 -18.3521 17.4018 11.2581 -72.5085 13.0201 13.0265 TIMING: 1954600 CPU: 6238.13, 0.00321676/step Wall: 6238.13, 0.00321676/step, 2.7212 hours remaining, 240.296875 MB of memory in use. ENERGY: 1954600 3986.1943 20566.6892 14400.4925 248.9642 -203363.1256 2690.9480 0.0000 0.0000 52074.0097 -109395.8276 299.2700 -161469.8374 -109030.0767 298.8432 219.6750 246.6086 760078.5448 8.2854 8.1730 PRESSURE: 1954800 -142.607 112.303 279.508 112.302 71.0657 -70.6166 279.507 -70.6163 -3.26119 GPRESSURE: 1954800 -73.0682 126.629 233.56 241.586 34.2512 18.1 190.855 -130.335 47.3698 PRESSAVG: 1954800 -33.7576 -27.3985 5.55869 -27.3986 19.3055 -11.8754 5.55869 -11.8753 2.47377 GPRESSAVG: 1954800 -32.0864 -27.3795 4.63215 -28.4346 18.5028 -12.3158 7.28428 -12.0313 1.37254 TIMING: 1954800 CPU: 6238.77, 0.00321758/step Wall: 6238.77, 0.00321758/step, 2.72171 hours remaining, 240.296875 MB of memory in use. ENERGY: 1954800 4071.5253 20440.1007 14486.7441 249.8859 -203055.2834 2449.2882 0.0000 0.0000 51874.6458 -109483.0934 298.1243 -161357.7392 -109127.6062 298.5952 -24.9341 2.8509 762002.0308 -3.9928 -4.0704 PRESSURE: 1955000 34.1141 215.713 19.4292 215.713 0.808667 -174.551 19.4288 -174.55 -119.927 GPRESSURE: 1955000 96.9832 120.21 -74.6004 122.337 14.1433 -217.589 -60.7261 -133.899 -132.386 PRESSAVG: 1955000 35.6866 -10.0114 -14.3576 -10.0114 -9.38559 -37.5273 -14.3575 -37.5273 -12.9949 GPRESSAVG: 1955000 34.662 -8.71627 -15.4634 -10.4382 -8.99658 -36.7221 -13.873 -38.2096 -12.5145 TIMING: 1955000 CPU: 6239.41, 0.00319254/step Wall: 6239.41, 0.00319254/step, 2.70036 hours remaining, 240.296875 MB of memory in use. ENERGY: 1955000 3972.6264 20472.0654 14466.5413 229.1943 -203596.4100 2857.3673 0.0000 0.0000 51823.9648 -109774.6506 297.8330 -161598.6154 -109425.2838 298.6160 -28.3348 -7.0865 762179.0424 4.4354 4.3836 PRESSURE: 1955200 527.231 152.681 111.669 152.681 163.506 -24.7104 111.667 -24.7101 68.5116 GPRESSURE: 1955200 507.531 114.992 157.102 73.236 213.241 -51.4446 68.7152 31.4132 110.177 PRESSAVG: 1955200 22.1115 -26.6083 9.4835 -26.6084 -15.7763 19.1029 9.48357 19.103 -1.52856 GPRESSAVG: 1955200 23.9524 -24.6039 9.981 -27.9967 -16.6128 19.4255 8.25468 17.7146 -3.03207 TIMING: 1955200 CPU: 6240.04, 0.0031679/step Wall: 6240.04, 0.0031679/step, 2.67934 hours remaining, 240.296875 MB of memory in use. ENERGY: 1955200 3994.1992 20369.3155 14490.8065 257.2154 -203938.2406 3024.8393 0.0000 0.0000 52038.7537 -109763.1109 299.0674 -161801.8646 -109401.1436 298.3952 253.0829 276.9830 762239.0221 1.6022 1.4358 PRESSURE: 1955400 72.6201 -171.594 33.3768 -171.594 -37.3389 132.411 33.376 132.41 -71.1391 GPRESSURE: 1955400 64.1212 -122.158 18.7875 -204.942 30.9386 118.03 153.104 163.752 -46.4951 PRESSAVG: 1955400 24.9556 -24.3276 -35.5883 -24.3277 -35.6927 37.1145 -35.5884 37.1145 18.2136 GPRESSAVG: 1955400 22.1284 -27.3053 -35.1857 -22.9615 -34.6007 37.7081 -33.4757 37.4603 19.1156 TIMING: 1955400 CPU: 6240.68, 0.00318133/step Wall: 6240.68, 0.00318133/step, 2.69052 hours remaining, 240.296875 MB of memory in use. ENERGY: 1955400 3974.7495 20488.6376 14487.4558 250.1808 -203385.2895 2654.4797 0.0000 0.0000 51900.5474 -109629.2387 298.2732 -161529.7861 -109276.2378 298.2812 -11.9526 16.1882 762395.4551 2.4922 2.2144 PRESSURE: 1955600 130.91 -212.097 -100.259 -212.097 91.9344 131.023 -100.259 131.024 78.5 GPRESSURE: 1955600 143.21 -223.571 -157.075 -244.713 93.6944 138.746 -77.8878 110.067 141.72 PRESSAVG: 1955600 -7.70727 -36.5729 -15.3247 -36.5728 32.2383 29.4741 -15.3248 29.4741 7.55855 GPRESSAVG: 1955600 -6.33226 -34.805 -16.2644 -37.8651 31.5466 28.4425 -16.8986 30.3763 7.28822 TIMING: 1955600 CPU: 6241.32, 0.00318505/step Wall: 6241.32, 0.00318505/step, 2.69349 hours remaining, 240.296875 MB of memory in use. ENERGY: 1955600 3967.8979 20339.2038 14589.4324 260.2665 -203227.9812 2629.8426 0.0000 0.0000 51853.8238 -109587.5142 298.0046 -161441.3380 -109213.9371 298.3052 100.4480 126.2084 761957.3040 10.6965 10.8342 PRESSURE: 1955800 -218.846 47.8925 -50.726 47.8918 3.59156 -83.6329 -50.7261 -83.6329 8.5586 GPRESSURE: 1955800 -105.358 24.9613 -63.4429 60.2076 -76.5042 -153.318 80.5908 -78.569 35.0186 PRESSAVG: 1955800 10.5873 -35.9664 7.75466 -35.9664 -24.2808 -70.1995 7.75466 -70.1995 -14.9973 GPRESSAVG: 1955800 10.6289 -36.8718 8.89438 -35.5865 -24.3934 -70.6059 7.22713 -71.5969 -15.0758 TIMING: 1955800 CPU: 6241.96, 0.0032097/step Wall: 6241.96, 0.0032097/step, 2.71416 hours remaining, 240.296875 MB of memory in use. ENERGY: 1955800 3999.1251 20397.1630 14513.2253 252.5449 -202936.5672 2481.8959 0.0000 0.0000 51925.5573 -109367.0556 298.4169 -161292.6129 -109013.5243 298.4341 -68.8984 -48.9480 762349.9925 -9.5636 -9.6134 PRESSURE: 1956000 -133.733 -4.75183 117.535 -4.75185 -144.723 -207.69 117.534 -207.689 267.075 GPRESSURE: 1956000 -115.049 67.291 141.507 -97.7251 -56.5663 -228.418 37.1765 -231.612 227.819 PRESSAVG: 1956000 -4.24451 6.22375 0.2594 6.22376 -10.4772 -12.175 0.259444 -12.175 16.5559 GPRESSAVG: 1956000 -4.55779 6.55582 -1.83588 7.62232 -8.44116 -12.5383 0.310208 -10.5137 15.1477 TIMING: 1956000 CPU: 6242.6, 0.00320463/step Wall: 6242.6, 0.00320463/step, 2.70969 hours remaining, 240.296875 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: 1956000 3927.5939 20377.1771 14533.4754 256.7976 -203545.5190 2828.7355 0.0000 0.0000 52064.8252 -109556.9144 299.2173 -161621.7396 -109196.2742 298.9390 -3.7933 18.7345 761500.3482 0.6114 0.7163 PRESSURE: 1956200 64.55 -114.464 221.311 -114.464 70.8305 116.724 221.31 116.722 -358.674 GPRESSURE: 1956200 91.6502 -93.6877 197.644 -23.7365 53.7442 102.13 262.946 92.1928 -284.614 PRESSAVG: 1956200 37.1835 9.8778 -44.7703 9.87778 -2.01652 -31.1429 -44.7703 -31.1428 19.9767 GPRESSAVG: 1956200 38.1133 10.5556 -42.6408 9.27116 -4.15959 -29.7784 -44.5372 -32.6647 20.8948 TIMING: 1956200 CPU: 6243.24, 0.00318471/step Wall: 6243.24, 0.00318471/step, 2.69268 hours remaining, 240.296875 MB of memory in use. ENERGY: 1956200 3993.7866 20334.9279 14500.2709 248.2274 -203256.3906 2624.7766 0.0000 0.0000 52146.0145 -109408.3869 299.6839 -161554.4013 -109042.1427 299.1269 -74.4311 -46.4064 762148.1547 18.3812 18.2828 LDB: ============= START OF LOAD BALANCING ============== 6255.69 LDB: ============== END OF LOAD BALANCING =============== 6255.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6255.69 LDB: ============= START OF LOAD BALANCING ============== 6256.01 LDB: Largest compute 7071 load 0.037443 is 19.2% of average load 0.195110 LDB: Average compute 0.004399 is 2.3% of average load 0.195110 LDB: TIME 6256.02 LOAD: AVG 0.19511 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 6256.02 LOAD: AVG 0.19511 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 6256.02 LOAD: AVG 0.19511 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 6256.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6256.02 PRESSURE: 1956400 45.0194 -73.7433 -257.526 -73.7434 -210.82 -57.5415 -257.526 -57.5418 35.1174 GPRESSURE: 1956400 161.816 -162.975 -256.548 -17.6217 -167.713 6.41851 -266.126 -95.6045 -41.7299 PRESSAVG: 1956400 34.2515 -32.338 -33.6055 -32.338 -17.6587 41.4724 -33.6055 41.4724 21.7352 GPRESSAVG: 1956400 33.6611 -34.3743 -33.6057 -29.8523 -16.6128 41.4543 -31.5238 40.8201 21.6321 TIMING: 1956400 CPU: 6243.89, 0.00325819/step Wall: 6243.89, 0.00325818/step, 2.75461 hours remaining, 240.039062 MB of memory in use. ENERGY: 1956400 3949.2079 20639.4616 14466.9011 244.1698 -202868.8481 2261.1704 0.0000 0.0000 51769.7894 -109538.1480 297.5217 -161307.9374 -109185.4365 298.2257 -43.5611 -15.8754 762981.2067 12.7760 12.8935 PRESSURE: 1956600 58.144 -90.7016 -25.2199 -90.7023 621.43 -160.526 -25.2206 -160.524 525.253 GPRESSURE: 1956600 143.415 -168.062 -92.0652 -65.1637 563.003 -229.068 -28.5588 -142.309 586.051 PRESSAVG: 1956600 -13.3476 -24.554 -30.0207 -24.554 7.42659 6.92525 -30.0207 6.92515 25.1291 GPRESSAVG: 1956600 -13.4913 -23.6898 -31.5404 -26.9313 8.15041 5.84537 -30.4697 7.80778 24.5058 TIMING: 1956600 CPU: 6244.53, 0.00321751/step Wall: 6244.53, 0.00321751/step, 2.72005 hours remaining, 240.039062 MB of memory in use. ENERGY: 1956600 3925.7908 20285.7983 14542.8436 242.8530 -203327.3614 2821.5271 0.0000 0.0000 51969.4556 -109539.0931 298.6692 -161508.5487 -109183.1188 298.4043 401.6090 430.8228 760803.0094 6.4027 6.3883 PRESSURE: 1956800 -200.586 -217.503 51.005 -217.502 -109.517 60.7933 51.0045 60.7934 -10.4087 GPRESSURE: 1956800 -272.53 -149.246 -30.0997 -267.993 -90.6158 27.5417 14.4296 89.6012 119.226 PRESSAVG: 1956800 -21.5974 -23.1946 -0.400821 -23.1946 3.37517 9.98881 -0.400792 9.9889 5.48427 GPRESSAVG: 1956800 -21.365 -22.4263 -0.525514 -21.904 2.62705 10.5915 -2.46325 9.92237 6.23385 TIMING: 1956800 CPU: 6245.17, 0.00320203/step Wall: 6245.17, 0.00320203/step, 2.70678 hours remaining, 240.039062 MB of memory in use. ENERGY: 1956800 3967.4979 20461.5092 14471.8189 241.6460 -202561.5010 2022.5063 0.0000 0.0000 51793.2811 -109603.2416 297.6567 -161396.5226 -109249.6351 298.3735 -106.8372 -81.3067 763002.6963 -4.2460 -4.1680 PRESSURE: 1957000 63.7824 117.076 101.45 117.075 -22.1394 -67.8575 101.45 -67.8572 223.32 GPRESSURE: 1957000 95.7736 43.0587 124.268 84.2488 -2.57114 -43.7394 -53.8695 -158.257 240.276 PRESSAVG: 1957000 40.9934 23.7724 28.7872 23.7724 0.252612 -24.5439 28.7872 -24.5439 -1.97326 GPRESSAVG: 1957000 41.8026 23.8905 31.2999 22.3853 0.674304 -24.9579 28.0867 -24.8552 -3.05463 TIMING: 1957000 CPU: 6245.81, 0.00317883/step Wall: 6245.81, 0.00317883/step, 2.68699 hours remaining, 240.039062 MB of memory in use. ENERGY: 1957000 3970.2692 20385.5229 14479.3601 262.5992 -203399.4527 2837.2829 0.0000 0.0000 51711.7568 -109752.6615 297.1882 -161464.4183 -109392.6639 298.2997 88.3210 111.1595 761222.6381 13.0909 13.1408 PRESSURE: 1957200 352.431 -36.1751 71.7838 -36.1741 159.215 187.736 71.7831 187.735 280.874 GPRESSURE: 1957200 373.125 -122.75 90.6495 -24.2258 272.08 174.774 80.5383 195.901 243.448 PRESSAVG: 1957200 -8.47225 12.6449 -34.5737 12.645 23.967 -10.7233 -34.5736 -10.7234 10.5509 GPRESSAVG: 1957200 -8.81965 13.6828 -35.5515 12.3165 23.1148 -10.0404 -33.9124 -9.95401 11.8918 TIMING: 1957200 CPU: 6246.44, 0.00318226/step Wall: 6246.44, 0.00318226/step, 2.68972 hours remaining, 240.039062 MB of memory in use. ENERGY: 1957200 3888.9173 20388.0099 14516.8002 260.8882 -203366.5914 2850.3532 0.0000 0.0000 51848.5357 -109613.0869 297.9742 -161461.6226 -109255.6524 298.2463 264.1736 296.2177 759850.8514 8.6819 8.7290 PRESSURE: 1957400 -280.277 -12.4578 -52.1868 -12.4571 -114.502 -42.0634 -52.1857 -42.0643 -231.7 GPRESSURE: 1957400 -241.877 -21.5208 -26.591 -101.909 -66.6257 -9.12186 12.9257 -90.8259 -248.096 PRESSAVG: 1957400 55.6696 30.6529 -25.4977 30.6529 -25.8728 18.6209 -25.4977 18.6209 -0.0490519 GPRESSAVG: 1957400 55.8455 29.3142 -25.7286 29.8644 -25.3749 19.6249 -26.676 16.0056 -0.914681 TIMING: 1957400 CPU: 6247.08, 0.0031991/step Wall: 6247.08, 0.0031991/step, 2.70377 hours remaining, 240.039062 MB of memory in use. ENERGY: 1957400 4018.3613 20468.1826 14429.2642 246.1686 -203242.1524 2485.7194 0.0000 0.0000 51869.0231 -109725.4332 298.0920 -161594.4563 -109366.4181 298.5512 -208.8267 -185.5328 761870.5434 9.9159 9.8520 PRESSURE: 1957600 -177.893 -3.01117 156.671 -3.01135 120.032 11.6522 156.672 11.6521 -213.82 GPRESSURE: 1957600 -54.6898 -102.427 111.368 -13.0269 97.1811 -57.8247 75.9112 67.0646 -254.005 PRESSAVG: 1957600 -2.08968 -48.9533 -9.25609 -48.9533 2.20282 0.807934 -9.25608 0.807967 -0.301326 GPRESSAVG: 1957600 -3.08337 -50.106 -9.92197 -48.5835 2.57251 -0.561861 -7.4056 3.08711 -0.0518156 TIMING: 1957600 CPU: 6247.73, 0.00322428/step Wall: 6247.73, 0.00322428/step, 2.72487 hours remaining, 240.039062 MB of memory in use. ENERGY: 1957600 4014.1147 20508.3385 14502.1545 246.7929 -203980.6589 2903.1463 0.0000 0.0000 52180.6176 -109625.4944 299.8827 -161806.1120 -109277.0825 298.3943 -90.5607 -70.5046 762265.6594 -0.0627 -0.1876 PRESSURE: 1957800 -13.669 95.1437 -225.737 95.1446 -349.715 -218.227 -225.738 -218.227 -101.264 GPRESSURE: 1957800 8.62139 54.62 -174.821 71.3706 -328.796 -247.021 -169.17 -136.784 -51.1204 PRESSAVG: 1957800 -41.6997 3.64132 14.0879 3.64132 16.9386 -0.205258 14.0879 -0.205267 -3.16118 GPRESSAVG: 1957800 -40.9855 4.25587 14.0861 5.13063 16.911 -1.53351 12.7471 0.704866 -3.45642 TIMING: 1957800 CPU: 6248.37, 0.00319252/step Wall: 6248.37, 0.00319252/step, 2.69786 hours remaining, 240.039062 MB of memory in use. ENERGY: 1957800 4023.7180 20234.8998 14491.4312 250.2332 -203357.7548 2818.1694 0.0000 0.0000 51788.7383 -109750.5649 297.6306 -161539.3031 -109398.3191 298.2540 -154.8825 -123.7650 763016.3827 -9.3075 -9.1770 PRESSURE: 1958000 -66.2769 104.733 -114.799 104.734 -7.90366 11.3097 -114.799 11.3094 42.0607 GPRESSURE: 1958000 43.5945 85.6714 -131.06 114.378 -14.3823 15.8905 -119.264 116.387 24.9996 PRESSAVG: 1958000 1.72243 -10.6955 -41.3858 -10.6954 -30.5828 -54.5315 -41.3858 -54.5315 27.3391 GPRESSAVG: 1958000 2.23367 -10.4146 -41.7406 -11.4367 -30.8116 -51.8299 -38.4048 -54.7205 27.6033 TIMING: 1958000 CPU: 6249, 0.0031857/step Wall: 6249, 0.0031857/step, 2.69192 hours remaining, 240.039062 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: 1958000 3967.9729 20424.3385 14507.0870 267.1828 -203671.1070 2857.8596 0.0000 0.0000 51809.8054 -109836.8608 297.7517 -161646.6662 -109477.8981 298.6420 -10.7066 18.0706 762983.3606 -0.5071 -0.3249 PRESSURE: 1958200 182.211 45.3725 248.201 45.3716 103.756 -192.678 248.202 -192.68 104.616 GPRESSURE: 1958200 267.503 93.2427 222.744 21.2157 164.406 -178.25 196.778 -202.159 42.7431 PRESSAVG: 1958200 -43.4525 46.9445 15.6482 46.9445 51.4288 -26.6627 15.6482 -26.6628 -7.57178 GPRESSAVG: 1958200 -44.053 48.2826 16.1227 45.0649 51.5033 -29.4342 13.3317 -26.2321 -6.47334 TIMING: 1958200 CPU: 6249.64, 0.00317801/step Wall: 6249.64, 0.00317801/step, 2.68525 hours remaining, 240.039062 MB of memory in use. ENERGY: 1958200 3970.2938 20441.6341 14470.5000 251.0253 -203857.1601 2984.0772 0.0000 0.0000 51859.8860 -109879.7439 298.0395 -161739.6298 -109519.5315 297.5625 130.1944 158.2173 762593.6008 0.1348 0.3257 PRESSURE: 1958400 -84.019 -45.9868 -2.90743 -45.9872 97.9919 -44.808 -2.90732 -44.8077 347.417 GPRESSURE: 1958400 -16.3491 -69.8714 88.0041 8.28674 106.209 -43.1846 58.8709 42.8337 365.934 PRESSAVG: 1958400 -54.8976 -0.27853 34.5334 -0.278518 52.0198 -20.4835 34.5334 -20.4836 9.95801 GPRESSAVG: 1958400 -53.7639 -0.741452 34.6383 0.664888 50.9481 -17.783 35.7441 -23.2403 9.99978 TIMING: 1958400 CPU: 6250.27, 0.00317115/step Wall: 6250.27, 0.00317115/step, 2.67927 hours remaining, 240.039062 MB of memory in use. ENERGY: 1958400 3995.7044 20393.0537 14471.1074 235.7298 -203574.2351 2835.4002 0.0000 0.0000 51754.1976 -109889.0421 297.4321 -161643.2396 -109525.6803 297.6334 120.4634 151.9312 762933.8435 2.3601 2.3947 PRESSURE: 1958600 -299.375 -126.628 -20.2791 -126.628 48.3217 -62.3643 -20.2795 -62.3653 83.471 GPRESSURE: 1958600 -225.875 -203.873 -78.8413 -77.23 90.3781 -109.384 56.7373 -93.3339 41.5863 PRESSAVG: 1958600 38.0593 -56.5035 22.1339 -56.5035 -49.0179 13.5826 22.1339 13.5826 -3.44388 GPRESSAVG: 1958600 38.34 -57.8355 22.0535 -54.9469 -49.5826 11.8103 23.9656 14.406 -3.58336 TIMING: 1958600 CPU: 6250.92, 0.00320698/step Wall: 6250.92, 0.00320697/step, 2.70936 hours remaining, 240.039062 MB of memory in use. ENERGY: 1958600 4038.8987 20366.5186 14509.5259 248.1913 -203532.9309 2856.2878 0.0000 0.0000 51841.3603 -109672.1484 297.9330 -161513.5087 -109306.1214 297.9540 -55.8607 -31.3037 763153.5036 -4.8008 -4.9420 PRESSURE: 1958800 -386.326 40.6909 83.5266 40.6909 108.833 83.6699 83.5254 83.6704 -3.89098 GPRESSURE: 1958800 -363.19 62.1184 59.8464 -23.9748 133.291 121.195 114.89 124.165 13.3862 PRESSAVG: 1958800 26.0186 4.50347 -6.64395 4.50346 11.0799 -31.9214 -6.64396 -31.9214 -7.24491 GPRESSAVG: 1958800 25.0276 5.15375 -6.86915 3.47699 12.9277 -30.4167 -9.18211 -31.5578 -8.77672 TIMING: 1958800 CPU: 6251.56, 0.0032055/step Wall: 6251.56, 0.0032055/step, 2.70793 hours remaining, 240.039062 MB of memory in use. ENERGY: 1958800 4001.9061 20471.2838 14482.4107 228.7270 -202895.5377 2359.3785 0.0000 0.0000 51904.5708 -109447.2608 298.2963 -161351.8316 -109090.3082 297.8263 -93.7945 -72.1709 762831.5829 9.9512 9.7262 PRESSURE: 1959000 -209.865 65.1089 10.945 65.1086 -79.8438 135.857 10.9454 135.856 -128.866 GPRESSURE: 1959000 -108.955 93.4077 12.3888 -2.50689 -66.1869 189.079 -17.1538 155.628 -152.091 PRESSAVG: 1959000 -54.4601 -18.5808 13.9489 -18.5809 14.0736 -9.91751 13.9488 -9.91756 -8.06008 GPRESSAVG: 1959000 -54.9469 -18.1304 14.164 -16.8736 13.1056 -10.2818 15.2111 -9.22305 -6.53409 TIMING: 1959000 CPU: 6252.2, 0.00321403/step Wall: 6252.2, 0.00321403/step, 2.71496 hours remaining, 240.039062 MB of memory in use. ENERGY: 1959000 4036.9267 20540.4919 14489.0614 246.8417 -203326.4201 2675.5533 0.0000 0.0000 51900.4251 -109437.1201 298.2725 -161337.5452 -109085.3299 298.9837 -139.5251 -109.0776 763037.4201 -16.1489 -16.1251 PRESSURE: 1959200 84.4253 -52.4159 -101.183 -52.4168 -33.7267 7.24914 -101.182 7.24929 161.032 GPRESSURE: 1959200 198.394 -14.9273 -77.9559 -15.7016 -33.2085 -38.2358 -173.772 -42.6514 145.487 PRESSAVG: 1959200 16.4424 37.0187 43.9127 37.0187 -14.2492 58.934 43.9126 58.934 4.73376 GPRESSAVG: 1959200 17.3177 36.9077 43.9489 36.6149 -14.4027 60.1345 42.9851 57.9712 4.22778 TIMING: 1959200 CPU: 6252.84, 0.00318728/step Wall: 6252.84, 0.00318728/step, 2.69219 hours remaining, 240.039062 MB of memory in use. ENERGY: 1959200 3988.3470 20520.5774 14451.3769 273.3652 -203643.5587 2894.2892 0.0000 0.0000 52118.8777 -109396.7254 299.5279 -161515.6031 -109039.6105 299.0772 70.5768 103.5574 762853.2488 2.3090 2.3809 PRESSURE: 1959400 36.1044 14.1503 125.243 14.1507 -103.414 -171.804 125.243 -171.804 -104.804 GPRESSURE: 1959400 52.4941 4.42971 166.033 62.0084 -6.02635 -129.4 84.4026 -90.7462 -139.131 PRESSAVG: 1959400 17.4853 -14.4755 -62.806 -14.4755 -35.4205 -60.0059 -62.806 -60.0059 -16.2681 GPRESSAVG: 1959400 16.8712 -16.3118 -63.9618 -12.7363 -34.4302 -63.1406 -64.9801 -58.8382 -16.7931 TIMING: 1959400 CPU: 6253.47, 0.00317118/step Wall: 6253.47, 0.00317118/step, 2.67842 hours remaining, 240.039062 MB of memory in use. ENERGY: 1959400 3996.4898 20355.5622 14522.3650 246.9854 -203438.8141 2725.1398 0.0000 0.0000 52161.2005 -109431.0713 299.7711 -161592.2718 -109070.9917 298.8920 -57.3713 -30.8879 762579.5215 -11.4011 -11.4507 PRESSURE: 1959600 195.84 29.2154 116.267 29.2153 70.642 -88.4723 116.268 -88.4725 71.6718 GPRESSURE: 1959600 205.052 -50.474 86.4653 -44.086 105.678 -99.8244 172.228 -62.2667 137.055 PRESSAVG: 1959600 -7.29104 -53.2802 -5.28756 -53.2802 23.5695 40.7659 -5.28752 40.7658 -4.30013 GPRESSAVG: 1959600 -6.81305 -52.7232 -6.85555 -55.0811 22.5259 42.336 -2.0716 40.6001 -3.21877 TIMING: 1959600 CPU: 6254.11, 0.00319164/step Wall: 6254.11, 0.00319164/step, 2.69552 hours remaining, 240.039062 MB of memory in use. ENERGY: 1959600 4020.4649 20335.2788 14483.7574 237.8855 -203169.7135 2429.5860 0.0000 0.0000 52269.0920 -109393.6489 300.3912 -161662.7409 -109018.6468 299.1371 112.7180 149.2619 760340.0357 3.9928 4.1647 PRESSURE: 1959800 89.3325 351.733 238.504 351.732 66.3934 -155.865 238.504 -155.866 89.5144 GPRESSURE: 1959800 124.751 255.421 224.885 304.402 85.7039 -174.168 170.127 -32.5861 111.369 PRESSAVG: 1959800 -6.27265 0.404527 41.8038 0.404479 -3.43974 38.748 41.8037 38.748 19.796 GPRESSAVG: 1959800 -6.52022 1.4145 43.8404 0.422009 -3.49165 38.0685 39.5072 39.0774 20.0761 TIMING: 1959800 CPU: 6254.74, 0.00317272/step Wall: 6254.74, 0.00317272/step, 2.67936 hours remaining, 240.039062 MB of memory in use. ENERGY: 1959800 4024.0128 20580.3432 14493.6232 250.1370 -202868.3796 2478.3989 0.0000 0.0000 52055.8104 -108986.0540 299.1655 -161041.8644 -108632.8230 299.9320 81.7468 107.2744 761828.4047 3.3612 3.3548 PRESSURE: 1960000 208.678 3.68497 -169.214 3.6855 32.8091 119.242 -169.214 119.242 129.844 GPRESSURE: 1960000 189.287 -18.5862 -174.888 1.71364 156.92 112.624 -125.307 108.513 110.678 PRESSAVG: 1960000 14.1266 -45.7129 -6.92878 -45.7129 -25.2595 -14.4323 -6.92881 -14.4323 7.51559 GPRESSAVG: 1960000 13.9377 -45.9243 -4.57319 -44.4473 -24.6355 -15.5977 -5.58747 -11.8267 7.27947 TIMING: 1960000 CPU: 6255.38, 0.00318713/step Wall: 6255.38, 0.00318713/step, 2.69135 hours remaining, 240.039062 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: 1960000 4018.2084 20500.3658 14516.1983 251.3238 -202938.7820 2508.4191 0.0000 0.0000 52135.1923 -109009.0743 299.6217 -161144.2666 -108648.5636 299.8792 123.7770 152.2946 761896.1138 -1.2058 -1.1395 PRESSURE: 1960200 -13.0216 -45.9724 -14.24 -45.9734 -20.5386 -9.62514 -14.2411 -9.62579 -314.397 GPRESSURE: 1960200 23.2688 114.926 17.9895 -200.215 25.2824 -51.8784 41.6647 -22.5988 -304.009 PRESSAVG: 1960200 -19.3245 -5.2084 75.7948 -5.2084 -11.04 0.849123 75.7949 0.849008 -3.98272 GPRESSAVG: 1960200 -19.5446 -5.72449 74.1499 -5.32032 -11.8135 5.43106 76.1137 -1.90081 -3.48402 TIMING: 1960200 CPU: 6256.02, 0.00318599/step Wall: 6256.02, 0.00318599/step, 2.69021 hours remaining, 240.039062 MB of memory in use. ENERGY: 1960200 4016.1554 20531.7422 14491.1877 247.2580 -203002.2028 2352.3835 0.0000 0.0000 52222.9580 -109140.5181 300.1261 -161363.4761 -108772.4077 299.5975 -115.9858 -85.1525 762214.9155 -11.4491 -11.6140 LDB: ============= START OF LOAD BALANCING ============== 6268.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6268.47 LDB: =============== DONE WITH MIGRATION ================ 6268.48 LDB: ============= START OF LOAD BALANCING ============== 6268.79 LDB: Largest compute 7070 load 0.035201 is 18.0% of average load 0.195209 LDB: Average compute 0.004408 is 2.3% of average load 0.195209 LDB: TIME 6268.8 LOAD: AVG 0.195209 MAX 0.213932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6268.8 LOAD: AVG 0.195209 MAX 0.213932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 6268.8 LOAD: AVG 0.195209 MAX 0.213932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 6268.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6268.81 PRESSURE: 1960400 -83.9552 -47.7666 -10.3785 -47.7668 102.267 -64.2175 -10.3786 -64.2178 2.55675 GPRESSURE: 1960400 -84.3712 -45.5778 -92.4051 -21.2564 199.549 -64.8403 11.4154 -24.3971 -13.4402 PRESSAVG: 1960400 38.1346 -56.4375 -6.19617 -56.4375 -19.8428 6.45707 -6.19621 6.45708 2.26554 GPRESSAVG: 1960400 36.9442 -55.3623 -7.88732 -55.3566 -18.1795 4.37549 -7.09343 7.52097 2.40098 TIMING: 1960400 CPU: 6256.67, 0.00325504/step Wall: 6256.67, 0.00325504/step, 2.74834 hours remaining, 239.527344 MB of memory in use. ENERGY: 1960400 3991.4805 20577.1368 14481.3343 250.1730 -203158.4781 2537.3020 0.0000 0.0000 52297.4890 -109023.5624 300.5544 -161321.0514 -108656.9522 299.9829 6.9562 33.9125 761328.3440 6.8524 7.0553 PRESSURE: 1960600 -65.6967 81.5841 14.4219 81.5842 -129.532 10.5837 14.422 10.583 -147.83 GPRESSURE: 1960600 -4.28594 157.414 -31.0672 38.8203 -170.794 14.747 -11.9391 89.3222 -86.6061 PRESSAVG: 1960600 -14.1355 -46.0531 45.2924 -46.0531 1.47689 11.2538 45.2924 11.2537 -8.75924 GPRESSAVG: 1960600 -11.8795 -45.8968 46.5185 -47.9872 0.2952 10.3826 44.7178 11.1809 -10.4074 TIMING: 1960600 CPU: 6257.31, 0.00319093/step Wall: 6257.31, 0.00319093/step, 2.69403 hours remaining, 239.527344 MB of memory in use. ENERGY: 1960600 4009.6827 20715.1308 14590.8529 236.6205 -202927.2617 2379.4370 0.0000 0.0000 52099.2510 -108896.2867 299.4151 -160995.5377 -108547.5517 300.1697 -114.3530 -87.2286 762732.9992 -7.1393 -7.3306 PRESSURE: 1960800 -95.3273 -89.5879 -84.4545 -89.5875 -3.73702 194.998 -84.4545 194.999 20.931 GPRESSURE: 1960800 -174.348 -181.125 -70.322 -78.583 130.95 179.05 -3.49652 276.572 41.3364 PRESSAVG: 1960800 -2.20858 -42.7425 -24.535 -42.7424 -8.54673 42.1728 -24.535 42.1728 44.2593 GPRESSAVG: 1960800 -2.81894 -43.9584 -24.4414 -40.8059 -9.35999 44.8029 -23.6251 41.0748 45.445 TIMING: 1960800 CPU: 6257.95, 0.00320372/step Wall: 6257.95, 0.00320372/step, 2.70465 hours remaining, 239.527344 MB of memory in use. ENERGY: 1960800 3972.8567 20777.1505 14471.5058 249.4164 -203538.3960 2865.5896 0.0000 0.0000 52133.2770 -109068.5999 299.6107 -161201.8769 -108705.2913 300.1164 -26.0444 -0.6870 764330.3346 11.1680 11.0887 PRESSURE: 1961000 -378.123 -92.7741 -21.2718 -92.7745 28.7391 42.4515 -21.2719 42.4514 -173.755 GPRESSURE: 1961000 -325.953 -180.632 -100.849 -94.3096 -37.7236 23.8123 -5.90879 115.168 -97.7464 PRESSAVG: 1961000 17.1483 -48.921 23.1489 -48.921 -41.0361 -16.3552 23.1489 -16.3552 -27.2853 GPRESSAVG: 1961000 17.7565 -49.6094 23.6558 -49.2913 -41.7731 -18.4744 22.7547 -17.2487 -26.9133 TIMING: 1961000 CPU: 6258.59, 0.00320419/step Wall: 6258.59, 0.00320419/step, 2.70487 hours remaining, 239.527344 MB of memory in use. ENERGY: 1961000 4037.3183 20434.1002 14489.1527 232.8824 -203111.2383 2579.6172 0.0000 0.0000 52063.1796 -109274.9879 299.2078 -161338.1675 -108916.9709 299.2880 -174.3794 -153.8075 764208.8780 -17.0577 -16.9766 PRESSURE: 1961200 189.049 -239.532 -39.6007 -239.533 -143.399 -12.761 -39.6013 -12.7619 96.8701 GPRESSURE: 1961200 88.9465 -151.725 -37.391 -146.42 -14.2743 -99.7742 -146.302 25.5237 125.077 PRESSAVG: 1961200 -31.9855 -56.3471 9.3959 -56.3471 27.9519 69.7448 9.39586 69.7448 3.43229 GPRESSAVG: 1961200 -32.4708 -53.4654 9.73868 -58.2566 30.3837 68.5905 9.33666 73.1898 1.67643 TIMING: 1961200 CPU: 6259.23, 0.00320257/step Wall: 6259.23, 0.00320257/step, 2.70332 hours remaining, 239.527344 MB of memory in use. ENERGY: 1961200 4075.0724 20831.5741 14514.2041 245.9978 -202993.4478 2417.1355 0.0000 0.0000 51631.9652 -109277.4987 296.7296 -160909.4639 -108917.3229 299.1500 47.5069 66.5830 763784.9299 -0.2004 -0.1369 PRESSURE: 1961400 24.6037 -100.883 -79.7337 -100.883 275.572 104.499 -79.7343 104.498 -224.533 GPRESSURE: 1961400 61.8531 -44.7069 -116.781 0.301031 315.511 134.375 -94.157 -34.6863 -227.49 PRESSAVG: 1961400 -92.0416 -12.0938 -5.52897 -12.0938 99.5636 64.2212 -5.52888 64.2212 4.05396 GPRESSAVG: 1961400 -91.7175 -12.6037 -7.7696 -10.0461 98.1205 66.1802 -3.78364 61.3849 5.74131 TIMING: 1961400 CPU: 6259.87, 0.00319733/step Wall: 6259.87, 0.00319733/step, 2.69872 hours remaining, 239.527344 MB of memory in use. ENERGY: 1961400 3963.2722 20552.4649 14570.9709 250.9527 -203394.5440 2682.1754 0.0000 0.0000 52228.0492 -109146.6586 300.1553 -161374.7079 -108774.8598 299.5396 25.2144 49.9580 762332.7182 3.8587 4.0481 PRESSURE: 1961600 -282.174 -98.0318 188.473 -98.0322 -65.0709 6.19687 188.474 6.19591 262.626 GPRESSURE: 1961600 -57.3332 -15.9888 220.38 0.306162 -81.316 43.9891 89.0765 66.2388 149.173 PRESSAVG: 1961600 -0.170658 65.9881 29.504 65.9881 -4.13224 67.1051 29.504 67.1052 -20.5555 GPRESSAVG: 1961600 -0.265571 67.0945 30.4294 65.4116 -3.05474 65.7873 29.565 68.3473 -20.8045 TIMING: 1961600 CPU: 6260.51, 0.00318656/step Wall: 6260.51, 0.00318656/step, 2.68945 hours remaining, 239.527344 MB of memory in use. ENERGY: 1961600 4084.0529 20557.6003 14514.4748 254.8597 -203245.1432 2336.6161 0.0000 0.0000 52176.4166 -109321.1228 299.8586 -161497.5394 -108955.8355 299.5787 -28.2061 3.5080 761257.7208 -8.2861 -8.0416 PRESSURE: 1961800 -157.195 -266.198 277.392 -266.198 -26.8645 -282.198 277.393 -282.199 -337.94 GPRESSURE: 1961800 -125.823 -210.115 278.5 -234.346 -7.51252 -300.543 122.003 -243.417 -303.24 PRESSAVG: 1961800 2.55663 -60.4514 -47.3575 -60.4514 -12.5664 12.2362 -47.3575 12.2362 -0.722907 GPRESSAVG: 1961800 3.18736 -62.5384 -48.0364 -60.4693 -13.3367 11.4159 -48.9684 12.4869 -0.851113 TIMING: 1961800 CPU: 6261.14, 0.0031796/step Wall: 6261.14, 0.0031796/step, 2.6834 hours remaining, 239.527344 MB of memory in use. ENERGY: 1961800 4043.8596 20805.2772 14532.1415 245.9913 -203379.9456 2462.5226 0.0000 0.0000 52045.5350 -109244.6184 299.1064 -161290.1534 -108891.9678 299.4234 -173.9999 -145.5249 762448.4751 -3.5776 -3.6668 PRESSURE: 1962000 -390.042 55.1979 -310.409 55.199 276.084 -129.798 -310.409 -129.797 235.679 GPRESSURE: 1962000 -359.478 111.792 -289.766 21.7687 281.024 -94.7832 -175.828 -106.717 286.933 PRESSAVG: 1962000 32.8845 -67.2592 13.4007 -67.2592 -4.35743 -25.3488 13.4007 -25.3489 -3.12538 GPRESSAVG: 1962000 32.5855 -67.9209 13.1995 -66.9038 -3.59837 -24.1387 13.9124 -26.3133 -4.34167 TIMING: 1962000 CPU: 6261.77, 0.00316115/step Wall: 6261.77, 0.00316115/step, 2.66766 hours remaining, 239.527344 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: 1962000 4033.0957 20682.8940 14567.1511 237.7047 -203578.4332 2708.0972 0.0000 0.0000 52108.6596 -109240.8308 299.4692 -161349.4904 -108877.9212 299.4678 40.5738 69.4930 761146.2288 8.4672 8.2151 PRESSURE: 1962200 4.91859 133.518 139.019 133.518 -89.6207 33.5054 139.018 33.5056 -320.775 GPRESSURE: 1962200 -1.58924 116.562 119.318 89.2641 -54.9148 -5.81291 38.9053 16.9776 -276.145 PRESSAVG: 1962200 59.0942 -32.2799 50.3227 -32.28 -14.8086 4.04159 50.3227 4.04163 -13.0371 GPRESSAVG: 1962200 58.2266 -31.5407 52.1272 -31.9377 -15.179 3.97497 48.9058 4.0517 -11.5539 TIMING: 1962200 CPU: 6262.41, 0.00317181/step Wall: 6262.41, 0.00317181/step, 2.67648 hours remaining, 239.527344 MB of memory in use. ENERGY: 1962200 4005.3886 20490.8392 14479.5371 232.7528 -203384.5472 2551.5980 0.0000 0.0000 52066.8248 -109557.6067 299.2288 -161624.4315 -109194.4388 299.0684 -135.1590 -110.8831 761482.5234 10.4162 10.4979 PRESSURE: 1962400 -212.66 22.652 9.17492 22.6523 66.1267 153.566 9.17404 153.566 255.465 GPRESSURE: 1962400 -159.535 -47.8738 -56.0768 -15.8468 53.8664 144.024 110.379 175.298 290.461 PRESSAVG: 1962400 -30.8841 21.7371 39.6957 21.7371 -9.61091 28.7402 39.6958 28.7402 35.186 GPRESSAVG: 1962400 -29.9491 20.2693 38.6439 20.5181 -10.1179 28.8328 39.7387 29.4137 34.3006 TIMING: 1962400 CPU: 6263.05, 0.00318426/step Wall: 6263.05, 0.00318426/step, 2.68681 hours remaining, 239.527344 MB of memory in use. ENERGY: 1962400 4025.0759 20539.2800 14507.0522 243.6111 -203593.5439 2775.5898 0.0000 0.0000 51946.2762 -109556.6586 298.5360 -161502.9348 -109202.8963 299.5858 36.3106 61.5973 762790.7630 -1.7697 -1.9221 PRESSURE: 1962600 -179.112 -6.94017 -86.405 -6.93988 122.756 188.997 -86.4057 188.997 -71.126 GPRESSURE: 1962600 -138.752 60.1539 -54.6097 -13.0017 187.355 136.964 45.1572 267.221 -72.8455 PRESSAVG: 1962600 5.49299 4.84179 21.8357 4.84181 7.69748 2.53694 21.8356 2.537 -18.4071 GPRESSAVG: 1962600 3.85875 5.52094 21.5079 5.18823 8.43791 3.3525 24.2269 0.982606 -16.9782 TIMING: 1962600 CPU: 6263.69, 0.003197/step Wall: 6263.69, 0.003197/step, 2.69738 hours remaining, 239.527344 MB of memory in use. ENERGY: 1962600 4017.4380 20396.9574 14528.0239 258.7890 -203402.6145 2568.4855 0.0000 0.0000 52009.5949 -109623.3257 298.8999 -161632.9206 -109262.3245 299.3024 -42.4942 -8.0808 761156.3418 -1.7389 -1.5605 PRESSURE: 1962800 -93.019 -59.4834 -0.828772 -59.4824 -402.943 84.7263 -0.827819 84.7279 7.827 GPRESSURE: 1962800 -144.365 -22.4148 -102.462 -94.5306 -338.011 159.059 -107.96 94.9947 70.0287 PRESSAVG: 1962800 24.4028 9.22619 -25.2136 9.22619 -11.1142 52.0086 -25.2136 52.0087 11.6121 GPRESSAVG: 1962800 25.3168 10.0337 -23.5595 9.07848 -12.0299 50.7652 -26.8988 52.6232 11.5043 TIMING: 1962800 CPU: 6264.32, 0.00318408/step Wall: 6264.32, 0.00318408/step, 2.6863 hours remaining, 239.527344 MB of memory in use. ENERGY: 1962800 4058.4551 20582.8776 14513.1491 246.6552 -203379.0675 2386.6447 0.0000 0.0000 52179.5153 -109411.7706 299.8764 -161591.2859 -109046.1807 299.3528 -162.7116 -137.4491 761811.3555 8.3002 8.2638 PRESSURE: 1963000 -85.2054 -119.758 -98.0076 -119.758 375.295 88.2448 -98.0082 88.2453 210.037 GPRESSURE: 1963000 -30.4032 -200.359 -67.325 -159.023 439.985 110.044 -47.0724 -23.6601 170.671 PRESSAVG: 1963000 14.6595 -18.1855 16.593 -18.1855 7.86672 48.6993 16.593 48.6993 16.3342 GPRESSAVG: 1963000 15.3896 -16.8043 16.8907 -19.0613 7.9107 48.6463 17.5159 48.5111 15.7745 TIMING: 1963000 CPU: 6264.96, 0.00318776/step Wall: 6264.96, 0.00318776/step, 2.68923 hours remaining, 239.527344 MB of memory in use. ENERGY: 1963000 3985.9843 20417.1872 14441.1933 246.7590 -203189.5800 2653.5220 0.0000 0.0000 52112.0137 -109332.9206 299.4885 -161444.9343 -108961.0701 299.2561 166.7087 193.4176 760102.8341 12.9535 13.0249 PRESSURE: 1963200 148.411 138.69 52.4213 138.689 52.0844 192.661 52.4208 192.661 53.1206 GPRESSURE: 1963200 255.673 251.253 -18.9812 43.6714 65.0507 280.837 -11.578 210.371 21.1627 PRESSAVG: 1963200 2.99333 27.2365 0.824975 27.2364 7.57201 39.1963 0.824973 39.1963 -14.4498 GPRESSAVG: 1963200 1.82179 25.8549 -0.661891 26.3009 8.01713 41.9819 1.96467 38.0697 -14.2113 TIMING: 1963200 CPU: 6265.6, 0.00322167/step Wall: 6265.6, 0.00322167/step, 2.71766 hours remaining, 239.527344 MB of memory in use. ENERGY: 1963200 4061.4180 20521.7152 14526.0382 243.8786 -203331.6392 2565.0130 0.0000 0.0000 52202.1702 -109211.4060 300.0066 -161413.5762 -108846.6804 299.9703 84.5387 113.9620 759441.9088 -1.2948 -1.4574 PRESSURE: 1963400 -122.452 -110.428 83.5183 -110.428 -10.4647 -96.1628 83.519 -96.1628 324.657 GPRESSURE: 1963400 -86.829 -146.053 123.911 -264.58 10.9334 -120.594 60.3507 -59.6956 345.762 PRESSAVG: 1963400 -14.9267 -38.929 31.6524 -38.929 -49.4451 77.6715 31.6524 77.6716 16.7862 GPRESSAVG: 1963400 -13.4869 -39.4726 33.025 -38.139 -50.6262 76.2411 28.9429 80.8538 16.2732 TIMING: 1963400 CPU: 6266.24, 0.00318251/step Wall: 6266.24, 0.00318251/step, 2.68445 hours remaining, 239.527344 MB of memory in use. ENERGY: 1963400 4029.0603 20506.4809 14480.9863 238.9388 -203241.9195 2694.2212 0.0000 0.0000 52233.3537 -109058.8783 300.1858 -161292.2320 -108689.7843 299.9235 63.9135 89.9555 760875.6182 -15.8619 -15.9466 PRESSURE: 1963600 23.5863 40.5543 349.595 40.5537 -188.605 188.211 349.596 188.211 275.135 GPRESSURE: 1963600 90.8514 80.7458 340.126 48.9192 -93.1876 241.714 370.779 30.0256 181.031 PRESSAVG: 1963600 31.3619 -51.4724 26.0904 -51.4723 0.506825 -8.92138 26.0904 -8.92146 -2.67778 GPRESSAVG: 1963600 31.3915 -50.5825 27.7528 -51.6245 0.3621 -8.67199 25.2184 -10.9886 -2.88422 TIMING: 1963600 CPU: 6266.87, 0.00315655/step Wall: 6266.87, 0.00315655/step, 2.66238 hours remaining, 239.527344 MB of memory in use. ENERGY: 1963600 3997.3317 20626.1641 14476.9833 256.0258 -203265.8636 2699.7269 0.0000 0.0000 52127.9115 -109081.7202 299.5798 -161209.6317 -108720.3607 300.1254 36.7054 59.5651 761589.5799 9.7303 9.6231 PRESSURE: 1963800 8.06309 -34.6203 82.2692 -34.6212 -106.762 104.692 82.2692 104.693 -165.58 GPRESSURE: 1963800 44.7581 -40.2499 73.6815 -98.58 -104.386 89.2576 221.503 178.97 -118.721 PRESSAVG: 1963800 3.66249 -42.1344 9.31163 -42.1344 -28.661 30.842 9.31162 30.8421 23.4085 GPRESSAVG: 1963800 3.00948 -41.2236 6.29204 -40.8239 -28.1316 29.9559 12.265 29.7277 23.6347 TIMING: 1963800 CPU: 6267.51, 0.00317039/step Wall: 6267.51, 0.00317039/step, 2.67388 hours remaining, 239.527344 MB of memory in use. ENERGY: 1963800 3961.4299 20391.2685 14475.0210 258.7395 -203368.4413 2935.1970 0.0000 0.0000 52051.3511 -109295.4342 299.1398 -161346.7853 -108932.2726 299.2865 -88.0928 -59.4498 763816.7241 -0.5300 -0.4958 PRESSURE: 1964000 -464.55 14.3942 -33.3255 14.3945 21.7312 106.834 -33.3249 106.834 -236.381 GPRESSURE: 1964000 -429.155 71.3175 20.9775 -28.6254 30.5683 43.0604 -187.412 40.2907 -181.151 PRESSAVG: 1964000 -34.3602 -56.0408 -14.514 -56.0407 23.8897 9.718 -14.5139 9.71798 24.4799 GPRESSAVG: 1964000 -34.8695 -56.0192 -15.3953 -56.1755 23.0255 11.2075 -14.4023 10.9389 25.5671 TIMING: 1964000 CPU: 6268.14, 0.00318554/step Wall: 6268.14, 0.00318554/step, 2.68647 hours remaining, 239.527344 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: 1964000 3953.4426 20412.5853 14396.8752 223.7427 -202669.9096 2447.5051 0.0000 0.0000 51894.8336 -109340.9250 298.2403 -161235.7586 -108980.2236 298.9317 -226.3998 -193.2458 763403.7384 4.6698 4.5744 PRESSURE: 1964200 36.1303 69.4744 164.282 69.4745 -149.061 -370.209 164.282 -370.21 178.919 GPRESSURE: 1964200 100.237 118.217 150.553 3.41496 -137.815 -320.963 130.546 -228.353 203.546 PRESSAVG: 1964200 -4.62178 6.60704 -6.52115 6.60709 -3.84867 -12.7007 -6.52112 -12.7006 -7.95779 GPRESSAVG: 1964200 -4.78746 8.2078 -5.74213 5.32702 -2.29616 -13.4421 -6.654 -11.4799 -8.95234 TIMING: 1964200 CPU: 6268.78, 0.00316753/step Wall: 6268.78, 0.00316753/step, 2.67111 hours remaining, 239.527344 MB of memory in use. ENERGY: 1964200 3992.2583 20441.9464 14471.6989 233.9981 -203256.7725 2640.1399 0.0000 0.0000 52092.3804 -109384.3505 299.3756 -161476.7309 -109017.8742 298.8572 21.9960 55.3227 762116.7334 -5.4761 -5.3453 LDB: ============= START OF LOAD BALANCING ============== 6281.23 LDB: ============== END OF LOAD BALANCING =============== 6281.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6281.23 LDB: ============= START OF LOAD BALANCING ============== 6281.55 LDB: Largest compute 7071 load 0.036751 is 18.8% of average load 0.195118 LDB: Average compute 0.004399 is 2.3% of average load 0.195118 LDB: TIME 6281.55 LOAD: AVG 0.195118 MAX 0.215182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 6281.56 LOAD: AVG 0.195118 MAX 0.215182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 6281.56 LOAD: AVG 0.195118 MAX 0.215182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 6281.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6281.56 PRESSURE: 1964400 -4.32907 47.4388 -242.833 47.4388 -4.41637 -21.4824 -242.833 -21.4827 -249.69 GPRESSURE: 1964400 -8.72069 101.694 -218.75 171.929 72.7621 3.9074 -165.252 -22.5368 -255.995 PRESSAVG: 1964400 27.4204 -12.5614 -12.8123 -12.5615 -4.77555 1.62134 -12.8123 1.62132 -3.7874 GPRESSAVG: 1964400 27.3467 -14.604 -12.0545 -12.7699 -5.44349 1.46072 -13.3705 1.346 -2.41809 TIMING: 1964400 CPU: 6269.43, 0.00324918/step Wall: 6269.43, 0.00324918/step, 2.73978 hours remaining, 239.835938 MB of memory in use. ENERGY: 1964400 4020.6351 20593.8341 14465.8091 247.1664 -203293.8097 2575.0736 0.0000 0.0000 52081.7840 -109309.5074 299.3147 -161391.2913 -108939.8568 299.3199 -86.1452 -63.9847 760598.3378 6.2858 6.4950 PRESSURE: 1964600 -47.1271 -59.7053 -1.44446 -59.7057 -101.5 172.735 -1.44372 172.735 -255.062 GPRESSURE: 1964600 -28.7294 -24.7204 47.1704 -0.327583 -62.336 180.614 79.2911 187.166 -239.753 PRESSAVG: 1964600 -15.7955 11.0917 12.6864 11.0917 22.2465 38.1216 12.6864 38.1216 -8.34875 GPRESSAVG: 1964600 -14.424 11.1531 10.5997 11.0142 21.5727 37.366 15.801 36.3775 -8.39034 TIMING: 1964600 CPU: 6270.07, 0.00321034/step Wall: 6270.07, 0.00321034/step, 2.70686 hours remaining, 240.039062 MB of memory in use. ENERGY: 1964600 3992.0052 20579.1246 14457.3831 231.6210 -203079.4375 2374.4460 0.0000 0.0000 52112.8012 -109332.0566 299.4930 -161444.8577 -108961.1698 299.6494 -134.5633 -110.2729 759869.5991 -0.6326 -0.4139 PRESSURE: 1964800 60.3726 6.26212 -3.66108 6.26295 -73.4006 -14.3113 -3.66115 -14.3118 -155.619 GPRESSURE: 1964800 150.156 -104.142 36.4933 -3.81383 -54.3147 -7.81211 122.715 0.722166 -167.508 PRESSAVG: 1964800 19.0771 1.69721 23.8789 1.69728 -7.8019 -41.2915 23.8789 -41.2915 -0.999102 GPRESSAVG: 1964800 19.1008 2.40102 25.5187 3.83112 -7.35769 -41.0407 20.2443 -39.2593 -0.826843 TIMING: 1964800 CPU: 6270.71, 0.00321115/step Wall: 6270.71, 0.00321115/step, 2.70735 hours remaining, 240.039062 MB of memory in use. ENERGY: 1964800 3914.2872 20586.8710 14473.3161 254.4179 -203236.2822 2748.2071 0.0000 0.0000 52106.8229 -109152.3601 299.4586 -161259.1829 -108787.3672 299.6935 -56.2157 -23.8889 760611.8017 3.4254 3.6388 PRESSURE: 1965000 -266.171 99.5164 -52.5738 99.5172 42.7587 7.66099 -52.574 7.66105 -223.44 GPRESSURE: 1965000 -182.893 129.378 -94.1797 206.73 103.404 -17.8639 -1.31878 -62.4099 -260.843 PRESSAVG: 1965000 16.716 23.8487 36.0205 23.8486 2.50033 5.00438 36.0205 5.00437 -15.6151 GPRESSAVG: 1965000 15.6034 23.3167 35.4254 21.1202 3.61186 4.98094 34.9218 6.38145 -15.9133 TIMING: 1965000 CPU: 6271.35, 0.00319215/step Wall: 6271.35, 0.00319215/step, 2.69116 hours remaining, 240.039062 MB of memory in use. ENERGY: 1965000 3995.3417 20566.4404 14508.4744 238.7823 -202600.9170 2420.5014 0.0000 0.0000 52056.5489 -108814.8278 299.1697 -160871.3767 -108454.0121 299.7630 -148.9506 -113.4441 761493.8883 1.2004 1.1007 PRESSURE: 1965200 36.7173 147.99 165.499 147.988 -229.132 -104.684 165.497 -104.685 -22.5279 GPRESSURE: 1965200 81.5389 82.8627 146.493 85.8993 -207.368 -195.155 163.768 -179.711 -7.48899 PRESSAVG: 1965200 -19.147 -49.8166 41.2945 -49.8166 25.1882 -6.76125 41.2945 -6.76127 3.89395 GPRESSAVG: 1965200 -17.9272 -51.4591 42.2375 -47.5102 24.0791 -6.21211 42.5924 -9.603 3.90571 TIMING: 1965200 CPU: 6271.99, 0.00318524/step Wall: 6271.99, 0.00318524/step, 2.68516 hours remaining, 240.039062 MB of memory in use. ENERGY: 1965200 3968.1924 20431.5280 14449.4690 236.7890 -202901.1453 2640.9846 0.0000 0.0000 52432.7144 -108741.4679 301.3315 -161174.1823 -108371.5195 300.7332 -71.6477 -44.4395 762362.0508 3.3117 3.3525 PRESSURE: 1965400 -27.82 -4.49316 -214.493 -4.49294 -71.2426 -57.5902 -214.492 -57.5912 37.6369 GPRESSURE: 1965400 -3.97577 -48.4135 -154.975 4.52822 93.0938 22.9023 -187.318 -39.5621 -55.4719 PRESSAVG: 1965400 -13.0896 16.3634 10.8791 16.3633 11.9848 -7.15264 10.879 -7.15267 -12.2826 GPRESSAVG: 1965400 -13.5791 17.7293 9.95053 15.8283 12.5914 -7.47721 11.3713 -5.20524 -12.3602 TIMING: 1965400 CPU: 6272.62, 0.00318179/step Wall: 6272.62, 0.00318179/step, 2.68207 hours remaining, 240.039062 MB of memory in use. ENERGY: 1965400 3926.4096 20356.8018 14520.5876 259.4796 -202494.3346 2249.6404 0.0000 0.0000 52261.1357 -108920.2799 300.3455 -161181.4156 -108564.0273 300.4008 -20.4752 11.2154 762883.1843 -4.4625 -4.4493 PRESSURE: 1965600 49.6025 -178.176 174.715 -178.176 -105.683 129.459 174.715 129.457 -69.7297 GPRESSURE: 1965600 89.9321 -140.14 12.8965 -136.993 -103.973 60.5434 120.497 73.8751 -16.4146 PRESSAVG: 1965600 34.5258 -17.3517 -21.2885 -17.3517 -76.5732 20.5694 -21.2886 20.5693 30.0326 GPRESSAVG: 1965600 35.4529 -18.494 -21.2016 -16.0134 -77.5547 20.2481 -21.0803 17.9666 30.8417 TIMING: 1965600 CPU: 6273.26, 0.00318606/step Wall: 6273.26, 0.00318606/step, 2.68549 hours remaining, 240.039062 MB of memory in use. ENERGY: 1965600 4036.9656 20475.5604 14553.4338 248.7595 -202773.1820 2314.6425 0.0000 0.0000 52254.4110 -108889.4092 300.3068 -161143.8202 -108530.1497 300.2376 -41.9368 -10.1518 761861.8450 -4.0049 -3.7534 PRESSURE: 1965800 -255.137 4.27273 125.456 4.2722 -13.1908 -83.8843 125.456 -83.8844 -332.564 GPRESSURE: 1965800 -278.169 -8.10107 101.049 41.0074 -9.77866 -89.85 141.186 -52.6365 -242.108 PRESSAVG: 1965800 46.8551 -33.5772 6.25388 -33.5772 -44.4348 28.3153 6.25384 28.3154 13.3415 GPRESSAVG: 1965800 46.7307 -32.1578 5.0064 -34.7335 -42.1502 27.7958 6.12081 30.4473 11.5897 TIMING: 1965800 CPU: 6273.9, 0.00321238/step Wall: 6273.9, 0.00321238/step, 2.7075 hours remaining, 240.039062 MB of memory in use. ENERGY: 1965800 4007.5873 20734.7633 14478.2358 259.0782 -202762.5528 2428.6334 0.0000 0.0000 52145.4036 -108708.8513 299.6804 -160854.2549 -108358.0809 300.3912 -200.2973 -176.6850 762271.4470 5.2539 5.3900 PRESSURE: 1966000 35.4144 -114.982 -16.022 -114.982 107 -62.126 -16.0224 -62.1256 -119.181 GPRESSURE: 1966000 116.146 -101.352 -17.4024 -103.844 85.4452 -166.914 -16.4236 -38.336 -89.0059 PRESSAVG: 1966000 -39.6634 -50.1958 2.25512 -50.1959 32.0968 -46.9837 2.25511 -46.9836 -1.27906 GPRESSAVG: 1966000 -39.9235 -49.9161 3.32654 -49.6023 31.262 -45.5491 1.00166 -48.6535 -0.346912 TIMING: 1966000 CPU: 6274.54, 0.00319/step Wall: 6274.54, 0.00319/step, 2.68846 hours remaining, 240.039062 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: 1966000 3937.4333 20682.5066 14458.9628 232.8374 -202872.7653 2450.4829 0.0000 0.0000 52302.1258 -108808.4165 300.5810 -161110.5423 -108440.1795 300.0375 7.7446 37.5284 760875.2314 -2.9485 -3.0028 PRESSURE: 1966200 -26.1178 71.616 -46.4495 71.6155 27.0753 -174.129 -46.4494 -174.13 -61.791 GPRESSURE: 1966200 7.98187 182.711 23.3842 52.1172 76.3022 -125.328 -157.724 -150.134 -44.1794 PRESSAVG: 1966200 -10.7177 -15.7305 4.8401 -15.7305 25.8709 -3.78723 4.83999 -3.7873 25.6334 GPRESSAVG: 1966200 -11.4662 -17.2069 5.23109 -16.0794 26.571 -4.46126 7.70618 -2.61863 25.5105 TIMING: 1966200 CPU: 6275.17, 0.00315146/step Wall: 6275.17, 0.00315146/step, 2.65581 hours remaining, 240.039062 MB of memory in use. ENERGY: 1966200 3999.7153 20713.9202 14534.7912 253.3198 -203407.4810 2738.6246 0.0000 0.0000 52348.4887 -108818.6212 300.8475 -161167.1099 -108461.1119 300.7869 -20.2778 13.3682 758863.5895 13.5955 13.5384 PRESSURE: 1966400 -494.841 -92.0979 82.6262 -92.0977 -76.3559 161.926 82.6261 161.926 -10.8703 GPRESSURE: 1966400 -284.792 -172.22 30.6953 -174.976 -81.1318 86.0756 46.3756 96.3954 -126.47 PRESSAVG: 1966400 22.802 -37.5711 -22.5639 -37.5711 -12.6155 -40.4661 -22.5639 -40.466 9.06183 GPRESSAVG: 1966400 23.9109 -34.5617 -21.6817 -40.0766 -13.5304 -39.451 -26.6257 -41.3651 8.34582 TIMING: 1966400 CPU: 6275.8, 0.00314305/step Wall: 6275.8, 0.00314305/step, 2.64854 hours remaining, 240.039062 MB of memory in use. ENERGY: 1966400 3999.7189 20536.2826 14541.8525 234.1080 -202911.8953 2307.1669 0.0000 0.0000 52403.8274 -108888.9390 301.1655 -161292.7664 -108521.7129 300.9637 -194.0224 -164.1313 762315.4869 6.4161 6.2421 PRESSURE: 1966600 144.374 -135.606 167.785 -135.606 166.556 261.568 167.785 261.569 264.183 GPRESSURE: 1966600 153.736 -55.0574 184.672 -96.3887 135.483 230.642 106.077 433.642 362.585 PRESSAVG: 1966600 -28.1494 -73.3722 -28.2451 -73.3722 52.726 -3.69056 -28.2451 -3.69046 -7.34719 GPRESSAVG: 1966600 -29.4172 -74.2306 -29.2023 -71.648 53.7603 -4.53596 -26.8067 -4.75636 -7.35376 TIMING: 1966600 CPU: 6276.43, 0.003154/step Wall: 6276.43, 0.003154/step, 2.65759 hours remaining, 240.039062 MB of memory in use. ENERGY: 1966600 4003.3748 20587.7854 14524.8603 257.1617 -202914.4138 2676.2495 0.0000 0.0000 52062.9953 -108801.9868 299.2067 -160864.9821 -108443.3406 300.0995 191.7042 217.2683 762383.3409 5.7431 5.6631 PRESSURE: 1966800 68.0625 52.97 47.9414 52.97 -197.747 -177.435 47.9418 -177.435 -71.6934 GPRESSURE: 1966800 106.3 187.675 43.6577 6.12956 -192.339 -137.866 -27.7645 -90.4586 -44.8032 PRESSAVG: 1966800 -19.0041 -47.3646 23.3844 -47.3646 61.0942 3.93566 23.3844 3.93564 10.3276 GPRESSAVG: 1966800 -17.8443 -48.6599 21.9801 -47.1323 59.9304 5.16832 24.8712 5.43383 10.2878 TIMING: 1966800 CPU: 6277.06, 0.00313555/step Wall: 6277.06, 0.00313555/step, 2.64188 hours remaining, 240.039062 MB of memory in use. ENERGY: 1966800 4008.6706 20648.6139 14493.1010 254.6247 -202667.6005 2344.5768 0.0000 0.0000 51931.1728 -108986.8408 298.4492 -160918.0136 -108640.0176 299.7243 -67.1260 -43.6139 761387.9334 17.4726 17.4579 PRESSURE: 1967000 -95.9287 99.0677 -26.6377 99.0667 1.5993 17.4044 -26.6381 17.4042 509.428 GPRESSURE: 1967000 1.81781 79.7653 -24.8339 204.198 -63.4501 19.2187 -109.739 -100.01 571.283 PRESSAVG: 1967000 -27.5799 -53.2427 41.9261 -53.2427 28.3649 -16.1064 41.9261 -16.1064 -1.60659 GPRESSAVG: 1967000 -27.6645 -52.3084 42.7642 -52.3018 28.6719 -17.1267 41.3293 -17.263 -1.6921 TIMING: 1967000 CPU: 6277.69, 0.0031502/step Wall: 6277.69, 0.0031502/step, 2.65404 hours remaining, 240.039062 MB of memory in use. ENERGY: 1967000 3973.4040 20348.7087 14479.6663 255.7206 -202951.8509 2508.1991 0.0000 0.0000 52177.4667 -109208.6854 299.8646 -161386.1522 -108838.9121 299.9797 138.3661 169.8836 761606.4975 -0.2738 -0.2282 PRESSURE: 1967200 -286.9 -121.825 53.7378 -121.824 -84.0658 -289.814 53.7382 -289.814 116.063 GPRESSURE: 1967200 -235.488 -63.1224 99.1529 -46.6906 -24.6677 -171.388 67.8897 -398.848 80.5903 PRESSAVG: 1967200 -38.759 -27.8037 -23.0502 -27.8037 53.9402 25.2122 -23.0502 25.2123 -5.77794 GPRESSAVG: 1967200 -38.4852 -26.6393 -23.7965 -31.0207 53.394 27.1508 -23.2831 26.0506 -5.32797 TIMING: 1967200 CPU: 6278.32, 0.00314727/step Wall: 6278.32, 0.00314727/step, 2.6514 hours remaining, 240.039062 MB of memory in use. ENERGY: 1967200 4013.2251 20529.1572 14402.7338 274.7928 -202826.0551 2215.4676 0.0000 0.0000 52226.4443 -109164.2343 300.1461 -161390.6786 -108810.1343 299.1092 -84.9676 -59.8552 762562.2624 3.1344 3.1936 PRESSURE: 1967400 32.1286 -29.9822 -19.5897 -29.9824 -54.2965 -98.3551 -19.5898 -98.356 -252.312 GPRESSURE: 1967400 54.353 -87.2757 35.7727 -7.5176 -29.6056 -135.444 -49.7017 -189.97 -205.237 PRESSAVG: 1967400 -25.9174 -21.8456 42.6305 -21.8456 15.4061 -29.9399 42.6305 -29.9399 14.6081 GPRESSAVG: 1967400 -26.6862 -24.7112 43.283 -17.4134 15.9868 -30.6908 43.8409 -31.6903 14.2826 TIMING: 1967400 CPU: 6278.95, 0.0031569/step Wall: 6278.95, 0.0031569/step, 2.65934 hours remaining, 240.039062 MB of memory in use. ENERGY: 1967400 3940.8145 20322.9502 14483.1162 234.3509 -203032.1209 2642.5555 0.0000 0.0000 52018.4377 -109389.8960 298.9507 -161408.3337 -109031.2607 299.1810 -91.4932 -60.1632 762308.5872 1.3656 1.1944 PRESSURE: 1967600 -386.104 -26.9129 -262.038 -26.9128 -56.1615 -80.6595 -262.037 -80.6593 -50.2553 GPRESSURE: 1967600 -391.129 53.0136 -343.538 -2.3336 15.1299 -73.6479 -291.042 30.6075 -28.965 PRESSAVG: 1967600 9.41689 -53.2033 4.0496 -53.2032 -27.7658 -34.76 4.04963 -34.7599 13.4399 GPRESSAVG: 1967600 10.2281 -52.3098 3.21484 -55.5545 -27.5792 -35.3583 3.6237 -33.0715 13.09 TIMING: 1967600 CPU: 6279.58, 0.00316974/step Wall: 6279.58, 0.00316974/step, 2.66998 hours remaining, 240.039062 MB of memory in use. ENERGY: 1967600 3979.8456 20536.8281 14487.0249 249.6715 -202860.5998 2356.3939 0.0000 0.0000 51833.1209 -109417.7149 297.8857 -161250.8358 -109062.8169 298.7815 -164.1736 -134.9879 763110.5899 -1.6363 -1.4203 PRESSURE: 1967800 28.6176 161.906 16.1908 161.906 95.1134 -156.227 16.1915 -156.228 1.60893 GPRESSURE: 1967800 50.8555 186.317 -71.5573 152.25 68.2941 -126.622 163.484 -173.308 78.6883 PRESSAVG: 1967800 -25.3578 19.7558 -4.88374 19.7558 23.447 -69.7803 -4.8837 -69.7802 9.37198 GPRESSAVG: 1967800 -25.9149 20.8068 -4.91156 18.8367 23.6731 -68.6325 -3.53353 -69.2211 8.79683 TIMING: 1967800 CPU: 6280.21, 0.00316435/step Wall: 6280.21, 0.00316435/step, 2.66526 hours remaining, 240.039062 MB of memory in use. ENERGY: 1967800 4009.0959 20458.1541 14485.9313 263.8732 -203248.8950 2749.6458 0.0000 0.0000 52039.8823 -109242.3126 299.0739 -161282.1949 -108887.7051 299.2630 41.7800 65.9460 762854.9370 2.4871 2.1850 PRESSURE: 1968000 74.4514 -0.457711 -193.651 -0.458507 16.4643 -165.924 -193.652 -165.923 -164.818 GPRESSURE: 1968000 86.0697 -104.363 -241.313 -60.1605 -4.53988 -180.325 -112.975 -194.299 -70.9124 PRESSAVG: 1968000 -46.3488 -50.7003 43.3338 -50.7003 40.29 -39.4943 43.3338 -39.4943 6.07608 GPRESSAVG: 1968000 -45.8528 -51.6191 43.9176 -50.3899 39.1587 -40.0608 42.8873 -39.5891 7.16735 TIMING: 1968000 CPU: 6280.85, 0.00315584/step Wall: 6280.85, 0.00315584/step, 2.65792 hours remaining, 240.039062 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: 1968000 3936.5238 20390.9315 14436.6801 250.7075 -203258.5821 2750.5947 0.0000 0.0000 51955.9978 -109537.1468 298.5918 -161493.1446 -109168.3154 299.1169 -24.6341 3.5392 764563.0040 0.0057 0.1578 PRESSURE: 1968200 182.57 -65.0972 -55.0566 -65.0961 210.514 -110.779 -55.0563 -110.78 62.0396 GPRESSURE: 1968200 178.337 86.9668 49.2031 -23.0809 264.65 -58.7221 -99.0032 -168.577 83.779 PRESSAVG: 1968200 -8.73497 -25.1088 -0.0417164 -25.1088 -2.55722 -18.432 -0.0416993 -18.4319 -9.10183 GPRESSAVG: 1968200 -7.83417 -24.3508 1.24894 -23.7521 -2.80455 -18.4061 -1.74887 -18.6634 -9.98188 TIMING: 1968200 CPU: 6281.47, 0.00314307/step Wall: 6281.47, 0.00314307/step, 2.64699 hours remaining, 240.039062 MB of memory in use. ENERGY: 1968200 4054.5319 20432.0663 14473.6611 237.7050 -203712.6406 3196.1630 0.0000 0.0000 51859.8838 -109458.6295 298.0395 -161318.5133 -109105.9534 298.7680 151.7078 175.5885 763922.0371 -6.7980 -6.8735 LDB: ============= START OF LOAD BALANCING ============== 6293.93 LDB: ============== END OF LOAD BALANCING =============== 6293.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6293.93 LDB: ============= START OF LOAD BALANCING ============== 6294.24 LDB: Largest compute 7070 load 0.037713 is 19.3% of average load 0.195181 LDB: Average compute 0.004402 is 2.3% of average load 0.195181 LDB: TIME 6294.25 LOAD: AVG 0.195181 MAX 0.21704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 6294.25 LOAD: AVG 0.195181 MAX 0.21704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.387 MB LDB: TIME 6294.25 LOAD: AVG 0.195181 MAX 0.21704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.387 MB LDB: ============== END OF LOAD BALANCING =============== 6294.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6294.25 PRESSURE: 1968400 41.8655 -221.883 123.593 -221.883 24.6319 52.6461 123.593 52.6458 -179.205 GPRESSURE: 1968400 7.79 -217.679 47.8376 -253.701 54.9234 21.4317 167.68 48.6276 -98.4816 PRESSAVG: 1968400 -7.80752 -10.4875 25.3047 -10.4875 29.9988 4.9538 25.3047 4.95384 -23.9578 GPRESSAVG: 1968400 -9.01316 -10.3693 25.6616 -10.6351 32.1273 6.86481 26.0509 3.54876 -25.1465 TIMING: 1968400 CPU: 6282.12, 0.0032214/step Wall: 6282.12, 0.0032214/step, 2.71277 hours remaining, 240.867188 MB of memory in use. ENERGY: 1968400 3898.7048 20635.0898 14455.7362 253.5083 -203428.6432 2645.0090 0.0000 0.0000 51769.2129 -109771.3822 297.5184 -161540.5951 -109402.7871 298.6725 -37.5693 -11.9228 762139.2034 -0.5888 -0.6774 PRESSURE: 1968600 21.8607 -268.905 58.5789 -268.905 -261.706 -65.6224 58.5793 -65.6221 301.638 GPRESSURE: 1968600 6.1536 -117.808 9.34145 -220.612 -175.451 -17.2248 83.5591 -55.932 309.067 PRESSAVG: 1968600 -36.8752 -13.426 43.4319 -13.426 63.5299 30.0347 43.4319 30.0347 15.4414 GPRESSAVG: 1968600 -37.224 -12.0372 41.9329 -15.1655 62.2124 27.9074 44.6871 31.7387 16.8047 TIMING: 1968600 CPU: 6282.75, 0.0031691/step Wall: 6282.75, 0.0031691/step, 2.66855 hours remaining, 240.867188 MB of memory in use. ENERGY: 1968600 3915.0717 20612.4529 14460.6285 248.6151 -203692.4955 2916.3729 0.0000 0.0000 51902.3332 -109637.0212 298.2834 -161539.3544 -109286.7772 298.6064 20.5975 46.5898 761447.1246 14.0320 13.9311 PRESSURE: 1968800 -245.483 200.438 -181.57 200.438 -60.5278 -84.4335 -181.57 -84.434 -89.0719 GPRESSURE: 1968800 -207.741 45.7396 -131.205 233.534 24.469 -187.63 -222.399 -96.3014 -114.414 PRESSAVG: 1968800 50.6166 -29.1063 -10.8237 -29.1062 -37.2201 -9.93146 -10.8237 -9.93146 -11.666 GPRESSAVG: 1968800 50.8145 -32.1533 -9.01218 -28.1603 -37.3915 -11.4997 -12.0135 -9.94981 -11.9435 TIMING: 1968800 CPU: 6283.39, 0.00318395/step Wall: 6283.39, 0.00318395/step, 2.68088 hours remaining, 240.867188 MB of memory in use. ENERGY: 1968800 3980.2788 20439.6104 14573.7777 263.3547 -203440.5638 2634.2243 0.0000 0.0000 51954.1099 -109595.2080 298.5810 -161549.3179 -109229.3332 299.1519 -131.6944 -99.2286 761721.2879 0.5768 0.4932 PRESSURE: 1969000 -116.086 -79.6698 -92.2327 -79.6691 50.6614 -6.7122 -92.2327 -6.71184 -144.323 GPRESSURE: 1969000 -8.47538 -73.0916 -98.9733 -113.795 50.0153 -60.0597 1.66839 97.3559 -153.998 PRESSAVG: 1969000 -14.9794 12.2765 -53.0449 12.2765 12.0893 35.4959 -53.0449 35.4959 -20.8381 GPRESSAVG: 1969000 -15.9438 15.5944 -53.9019 10.7959 12.9892 37.8375 -51.9838 37.1089 -20.3659 TIMING: 1969000 CPU: 6284.03, 0.00317985/step Wall: 6284.03, 0.00317985/step, 2.67726 hours remaining, 240.867188 MB of memory in use. ENERGY: 1969000 4012.6268 20493.2125 14542.2684 249.4589 -203336.7485 2573.1998 0.0000 0.0000 52112.5421 -109353.4400 299.4915 -161465.9821 -108984.9724 298.6688 -69.9157 -37.4860 760994.9035 -7.9094 -7.7735 PRESSURE: 1969200 -174.677 -80.6011 17.6376 -80.6017 -114.729 -19.7898 17.6374 -19.7898 -413.979 GPRESSURE: 1969200 -135.506 -60.9389 25.1546 -21.8951 -52.4087 -0.894129 -206.039 -67.8688 -418.489 PRESSAVG: 1969200 -22.0173 -56.1492 -16.6676 -56.1492 74.5899 0.519685 -16.6676 0.519665 15.3176 GPRESSAVG: 1969200 -20.7047 -58.5704 -16.5371 -57.2545 72.7974 -0.874273 -18.5019 -2.39266 15.6023 TIMING: 1969200 CPU: 6284.66, 0.003162/step Wall: 6284.66, 0.003162/step, 2.66205 hours remaining, 240.867188 MB of memory in use. ENERGY: 1969200 4057.3226 20447.0481 14529.5171 237.5274 -203012.9200 2345.8660 0.0000 0.0000 52040.1727 -109355.4661 299.0756 -161395.6388 -108993.0656 299.4459 -234.4618 -202.1344 762349.3602 22.6301 22.5650 PRESSURE: 1969400 154.327 49.4118 -30.3473 49.4124 45.9284 -19.636 -30.3478 -19.6363 110.126 GPRESSURE: 1969400 162.052 133.05 24.7499 -55.6674 154.178 2.07304 -16.9226 94.1863 88.8366 PRESSAVG: 1969400 -29.1525 -23.0038 -74.1374 -23.0038 8.47644 56.9191 -74.1374 56.9191 3.60558 GPRESSAVG: 1969400 -29.4047 -23.1894 -73.2925 -20.9428 10.0755 58.2396 -74.3529 57.1214 2.37872 TIMING: 1969400 CPU: 6285.29, 0.00317793/step Wall: 6285.29, 0.00317793/step, 2.67529 hours remaining, 240.867188 MB of memory in use. ENERGY: 1969400 3968.7983 20665.7562 14450.6436 266.0665 -203473.3182 2626.9246 0.0000 0.0000 52068.6083 -109426.5206 299.2390 -161495.1289 -109071.0824 298.9674 103.4604 135.0222 762451.4340 -5.6902 -5.6502 PRESSURE: 1969600 -66.016 -135.13 15.1965 -135.129 73.4078 -16.8318 15.197 -16.8315 -407.358 GPRESSURE: 1969600 -18.3942 -192.907 41.4391 -113.596 119.754 -45.83 -31.7247 77.9572 -415.399 PRESSAVG: 1969600 -29.1704 -40.6549 -8.74589 -40.6549 54.6478 37.5968 -8.74588 37.5967 2.72894 GPRESSAVG: 1969600 -29.1496 -41.5887 -10.4023 -42.388 52.8985 36.9239 -8.3729 40.2201 4.88373 TIMING: 1969600 CPU: 6285.93, 0.00318599/step Wall: 6285.93, 0.00318599/step, 2.68189 hours remaining, 240.867188 MB of memory in use. ENERGY: 1969600 4077.2253 20504.6795 14497.7159 223.0283 -203287.0373 2469.4121 0.0000 0.0000 52096.2774 -109418.6988 299.3980 -161514.9762 -109059.2584 299.2090 -133.3220 -104.6798 762484.0953 9.4021 9.5442 PRESSURE: 1969800 -287.886 -267.315 -218.139 -267.315 -262.469 165.137 -218.14 165.138 -141.768 GPRESSURE: 1969800 -256.272 -218.259 -202.829 -213.923 -239.085 143.78 -256.807 203.468 -113.342 PRESSAVG: 1969800 -54.2838 -33.8417 3.00344 -33.8416 37.8738 35.8275 3.00345 35.8275 8.63594 GPRESSAVG: 1969800 -52.9514 -32.1507 2.62593 -33.2027 38.0116 35.3903 4.55175 34.1983 6.99844 TIMING: 1969800 CPU: 6286.57, 0.0031784/step Wall: 6286.57, 0.0031784/step, 2.67533 hours remaining, 240.867188 MB of memory in use. ENERGY: 1969800 4026.3218 20618.4763 14498.2967 234.5017 -203410.0709 2601.7973 0.0000 0.0000 51913.6550 -109517.0221 298.3485 -161430.6771 -109160.5508 298.7124 -230.7074 -202.8995 763197.3459 -2.5914 -2.6471 PRESSURE: 1970000 293.046 -145.013 112.12 -145.013 -4.72639 350.458 112.12 350.456 4.05319 GPRESSURE: 1970000 197.299 -25.8626 109.065 -124.312 178.499 276.528 7.43895 359.537 13.2043 PRESSAVG: 1970000 96.3462 -58.2947 -26.9069 -58.2947 -61.005 4.0028 -26.9069 4.00277 -12.5149 GPRESSAVG: 1970000 95.0702 -59.9767 -26.1123 -57.1944 -60.2401 4.27757 -27.6383 4.77018 -11.7023 TIMING: 1970000 CPU: 6287.2, 0.00318795/step Wall: 6287.2, 0.00318795/step, 2.68319 hours remaining, 240.867188 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: 1970000 3982.2675 20658.5163 14493.6687 240.9906 -203825.8611 3082.5151 0.0000 0.0000 52011.6982 -109356.2048 298.9119 -161367.9030 -109001.2272 299.1537 97.4576 129.6675 762375.2625 7.6088 7.7093 PRESSURE: 1970200 -89.7994 63.0687 72.0214 63.0689 -205.638 45.4235 72.0207 45.4237 -254.327 GPRESSURE: 1970200 -170.262 -13.2281 20.0473 -12.5333 -96.2451 50.317 -13.5757 33.0739 -206.744 PRESSAVG: 1970200 3.3408 -19.7082 26.3178 -19.7082 -2.61476 22.7902 26.3179 22.7902 -8.22307 GPRESSAVG: 1970200 2.60547 -16.5975 24.8727 -21.0892 -2.082 23.1569 25.7249 21.3413 -7.27309 TIMING: 1970200 CPU: 6287.85, 0.00321243/step Wall: 6287.85, 0.00321243/step, 2.70362 hours remaining, 240.867188 MB of memory in use. ENERGY: 1970200 4003.6594 20591.5816 14566.2292 230.0965 -203288.1273 2577.5287 0.0000 0.0000 51935.6214 -109383.4106 298.4747 -161319.0320 -109030.0175 298.7905 -183.2548 -157.7505 761737.4744 -2.4990 -2.2499 PRESSURE: 1970400 -136.782 242.593 -191.447 242.593 -72.2401 138.346 -191.446 138.346 -35.7486 GPRESSURE: 1970400 -21.8793 237.198 -257.953 207.15 -149.093 97.4113 7.9721 140.034 13.1065 PRESSAVG: 1970400 -6.85892 9.00163 31.955 9.00164 13.0224 60.2076 31.955 60.2076 5.78034 GPRESSAVG: 1970400 -6.37609 6.87228 34.0526 9.25224 12.1995 58.7608 31.6364 60.0543 5.84957 TIMING: 1970400 CPU: 6288.49, 0.00319363/step Wall: 6288.49, 0.00319363/step, 2.68761 hours remaining, 240.867188 MB of memory in use. ENERGY: 1970400 4019.0370 20337.4545 14494.3649 252.2559 -203400.2141 2642.8803 0.0000 0.0000 52180.2343 -109473.9871 299.8805 -161654.2214 -109113.4614 298.9090 -81.5902 -52.6220 761452.4467 3.9813 3.8910 PRESSURE: 1970600 -312.388 126.806 -9.65597 126.806 -429.508 -172.529 -9.65553 -172.528 -191.717 GPRESSURE: 1970600 -287.311 179.815 -19.1057 36.2003 -323.149 -201.61 -54.0912 -126.773 -250.068 PRESSAVG: 1970600 -31.0793 18.647 -55.558 18.647 34.2143 20.9293 -55.558 20.9293 29.5112 GPRESSAVG: 1970600 -29.7466 18.842 -56.3855 20.3534 33.4914 20.9463 -52.9228 20.4751 29.1471 TIMING: 1970600 CPU: 6289.12, 0.00318794/step Wall: 6289.12, 0.00318794/step, 2.68265 hours remaining, 240.867188 MB of memory in use. ENERGY: 1970600 3969.8849 20503.5217 14546.4896 246.5969 -203314.8485 2320.1767 0.0000 0.0000 52163.6594 -109564.5195 299.7853 -161728.1788 -109204.9542 299.2544 -311.2044 -286.8424 762480.4226 10.8821 10.9640 PRESSURE: 1970800 -207.506 -46.7757 -38.1552 -46.776 -105.654 -9.21309 -38.1552 -9.21412 -443.2 GPRESSURE: 1970800 -171.629 -103.622 -127.649 50.297 -36.9975 -53.2421 4.96104 10.9095 -463.79 PRESSAVG: 1970800 2.91572 -12.2527 -40.1999 -12.2527 -6.8895 -17.3483 -40.1999 -17.3483 -14.2111 GPRESSAVG: 1970800 2.17967 -10.9599 -40.3457 -14.0385 -6.35817 -15.7407 -39.605 -18.1365 -14.015 TIMING: 1970800 CPU: 6289.76, 0.00317761/step Wall: 6289.76, 0.00317761/step, 2.67378 hours remaining, 240.867188 MB of memory in use. ENERGY: 1970800 3996.9769 20578.8764 14428.9580 238.4973 -203628.3667 2795.4680 0.0000 0.0000 51980.9336 -109608.6563 298.7351 -161589.5900 -109248.9099 298.4782 -252.1201 -224.1389 761613.7424 -6.0616 -6.0645 PRESSURE: 1971000 76.658 -113.211 286.894 -113.211 -124.625 -12.9205 286.894 -12.9213 360.832 GPRESSURE: 1971000 148.092 -80.9492 275.669 -112.937 -42.9477 58.7435 190.004 -60.4067 303.081 PRESSAVG: 1971000 -42.3075 -0.143324 53.8806 -0.143378 -11.0788 -12.7501 53.8806 -12.7502 -16.9038 GPRESSAVG: 1971000 -43.7475 -0.652808 53.3781 1.16152 -10.8324 -13.7268 51.5412 -10.0366 -15.9366 TIMING: 1971000 CPU: 6290.39, 0.00316945/step Wall: 6290.39, 0.00316945/step, 2.66674 hours remaining, 240.867188 MB of memory in use. ENERGY: 1971000 3980.4345 20465.6797 14485.4065 235.0868 -203529.3710 2687.8298 0.0000 0.0000 52209.0730 -109465.8607 300.0463 -161674.9337 -109101.7377 299.1113 104.2883 136.0752 760822.0345 -23.4300 -23.5055 PRESSURE: 1971200 17.3291 -342.693 -8.91011 -342.694 -238.755 -119.836 -8.90891 -119.836 -101.641 GPRESSURE: 1971200 28.2865 -222.94 61.1306 -330.965 -194.371 -86.0815 181.187 -120.342 -85.5211 PRESSAVG: 1971200 -47.5018 -18.9364 28.535 -18.9364 70.0337 -9.65626 28.535 -9.65632 34.2511 GPRESSAVG: 1971200 -45.4855 -20.9757 28.834 -18.8085 69.3487 -9.55809 30.1068 -10.7582 32.9606 TIMING: 1971200 CPU: 6291.03, 0.00319658/step Wall: 6291.03, 0.00319658/step, 2.68939 hours remaining, 240.867188 MB of memory in use. ENERGY: 1971200 3996.3734 20658.6923 14398.3952 254.5310 -203325.4013 2338.8015 0.0000 0.0000 52084.4703 -109594.1377 299.3302 -161678.6080 -109236.6389 299.0678 -107.6890 -83.8685 761026.8239 18.9277 18.9413 PRESSURE: 1971400 8.28875 -37.1578 -68.3718 -37.1577 -380.846 -37.2199 -68.3727 -37.2194 261.293 GPRESSURE: 1971400 -1.35399 -68.1124 -38.4689 -47.6416 -200.225 -137.772 41.4568 20.5396 178.598 PRESSAVG: 1971400 -56.9781 -41.0905 -26.1264 -41.0904 35.1098 -6.94861 -26.1263 -6.94863 3.67415 GPRESSAVG: 1971400 -59.0481 -40.7347 -25.8837 -41.0965 36.5302 -5.96084 -28.999 -7.56033 4.43441 TIMING: 1971400 CPU: 6291.67, 0.00318509/step Wall: 6291.67, 0.00318509/step, 2.67955 hours remaining, 240.867188 MB of memory in use. ENERGY: 1971400 3942.3248 20493.9585 14507.8496 233.4122 -203155.5596 2579.6639 0.0000 0.0000 52150.1781 -109248.1725 299.7078 -161398.3506 -108886.5196 299.2183 -37.0880 -7.6602 762411.8318 -6.0647 -6.0278 PRESSURE: 1971600 268.116 209.856 56.456 209.855 -1.18516 63.2893 56.4558 63.2888 333.642 GPRESSURE: 1971600 350.114 201.259 -104.397 178.963 70.1461 94.9567 315.722 81.5549 279.995 PRESSAVG: 1971600 -6.9645 -43.8138 4.21722 -43.8139 2.69958 -22.54 4.2172 -22.5399 20.4866 GPRESSAVG: 1971600 -5.89944 -43.1205 3.28481 -44.911 1.69944 -22.1003 6.81366 -20.9413 20.8087 TIMING: 1971600 CPU: 6292.3, 0.00317654/step Wall: 6292.3, 0.00317654/step, 2.67218 hours remaining, 240.867188 MB of memory in use. ENERGY: 1971600 3889.0193 20443.8945 14493.8734 237.6360 -203268.6337 2688.7990 0.0000 0.0000 52405.0445 -109110.3670 301.1725 -161515.4115 -108753.3674 299.5717 200.1910 233.4184 761859.4824 5.4072 5.5362 PRESSURE: 1971800 -185.98 -216.854 -195.725 -216.854 13.9767 118.166 -195.725 118.167 76.049 GPRESSURE: 1971800 -203.033 -231.839 -256.1 -183.312 100.626 80.6967 -85.845 160.532 86.85 PRESSAVG: 1971800 -33.8846 -39.7272 11.1386 -39.7273 12.2908 32.7096 11.1386 32.7095 -6.52939 GPRESSAVG: 1971800 -32.1328 -39.8669 12.2308 -39.2581 11.568 31.2498 11.6098 32.6512 -7.29202 TIMING: 1971800 CPU: 6292.94, 0.0031697/step Wall: 6292.94, 0.0031697/step, 2.66625 hours remaining, 240.867188 MB of memory in use. ENERGY: 1971800 3994.8048 20550.4533 14500.9762 241.3231 -203285.6060 2559.3687 0.0000 0.0000 52040.1060 -109398.5739 299.0752 -161438.6799 -109043.1318 299.1815 -31.9847 -5.1855 760359.5656 -9.3744 -9.2856 PRESSURE: 1972000 -113.472 107.811 70.3006 107.81 35.693 10.0832 70.3005 10.083 -2.74177 GPRESSURE: 1972000 -109.479 94.6482 98.5363 69.3039 119.68 -14.5859 83.9522 73.2335 13.9735 PRESSAVG: 1972000 -77.9107 18.7894 0.731453 18.7894 58.633 28.9659 0.731497 28.966 8.16095 GPRESSAVG: 1972000 -79.0813 20.0754 2.19436 20.3918 60.1075 29.6943 -1.74572 29.4672 7.53339 TIMING: 1972000 CPU: 6293.57, 0.00316654/step Wall: 6293.57, 0.00316654/step, 2.66341 hours remaining, 240.867188 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: 1972000 4064.1180 20304.5369 14476.5455 249.6377 -203363.2189 2613.9884 0.0000 0.0000 52283.1237 -109371.2688 300.4718 -161654.3925 -109008.3731 299.3756 -26.8402 8.0582 760168.9296 -3.7056 -3.8135 PRESSURE: 1972200 -245.501 -34.2114 86.0482 -34.2121 -140.165 -153.25 86.0488 -153.25 127.754 GPRESSURE: 1972200 -173.374 -87.8327 59.3756 -60.9997 -86.696 -66.4125 53.7921 -204.743 94.338 PRESSAVG: 1972200 -35.7048 24.2761 -11.7801 24.2761 9.33697 -22.2739 -11.78 -22.274 22.4209 GPRESSAVG: 1972200 -35.0724 22.6085 -13.9326 22.4257 8.25954 -23.4405 -9.97687 -22.742 22.9623 TIMING: 1972200 CPU: 6294.21, 0.00318118/step Wall: 6294.21, 0.00318118/step, 2.67555 hours remaining, 240.867188 MB of memory in use. ENERGY: 1972200 3988.2841 20463.6403 14417.5559 249.6229 -202938.0008 2297.2839 0.0000 0.0000 52169.9761 -109351.6376 299.8216 -161521.6137 -108987.4572 299.3546 -85.9707 -55.2439 759908.1900 -1.3156 -1.2835 LDB: ============= START OF LOAD BALANCING ============== 6306.66 LDB: ============== END OF LOAD BALANCING =============== 6306.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6306.66 LDB: ============= START OF LOAD BALANCING ============== 6306.98 LDB: Largest compute 7070 load 0.036719 is 18.8% of average load 0.195229 LDB: Average compute 0.004376 is 2.2% of average load 0.195229 LDB: TIME 6306.99 LOAD: AVG 0.195229 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 6306.99 LOAD: AVG 0.195229 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 6306.99 LOAD: AVG 0.195229 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 6306.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6307 PRESSURE: 1972400 -3.03581 135.542 115.43 135.542 230.763 -18.2282 115.431 -18.2278 143.348 GPRESSURE: 1972400 -14.2377 41.1627 125.183 74.2026 280.958 -66.2202 93.0769 33.3731 182.683 PRESSAVG: 1972400 7.70758 19.9819 6.49076 19.9818 1.04169 14.0067 6.49083 14.0068 -22.5928 GPRESSAVG: 1972400 7.5965 19.8261 7.7362 20.5242 0.977539 13.1902 3.60699 15.5364 -23.028 TIMING: 1972400 CPU: 6294.86, 0.0032611/step Wall: 6294.86, 0.0032611/step, 2.74258 hours remaining, 242.015625 MB of memory in use. ENERGY: 1972400 3966.6151 20502.7627 14489.6736 266.7319 -203131.1934 2424.1418 0.0000 0.0000 52008.4066 -109472.8616 298.8930 -161481.2681 -109105.0264 299.3551 123.6918 149.8012 760101.3251 -4.6145 -4.8180 PRESSURE: 1972600 111.622 -132.569 -90.1357 -132.57 -222.059 98.1775 -90.1355 98.1786 268.597 GPRESSURE: 1972600 150.351 -96.7275 -112.798 -78.1231 -192.496 43.5693 -143.725 36.3905 286.64 PRESSAVG: 1972600 -8.02892 -34.3239 -14.5014 -34.3239 -6.08785 -17.6661 -14.5014 -17.6661 15.7464 GPRESSAVG: 1972600 -10.795 -31.6668 -14.0135 -36.118 -4.31807 -15.71 -14.1471 -19.6934 17.0092 TIMING: 1972600 CPU: 6295.49, 0.00316641/step Wall: 6295.49, 0.00316641/step, 2.66277 hours remaining, 242.218750 MB of memory in use. ENERGY: 1972600 3976.9831 20438.3288 14459.2240 251.4167 -202984.1791 2345.1700 0.0000 0.0000 51977.5482 -109535.5083 298.7157 -161513.0566 -109165.3621 299.0013 52.7199 81.4983 760259.4415 0.5432 0.6320 PRESSURE: 1972800 186.866 35 -3.69823 35.0001 94.0597 -80.9145 -3.69836 -80.9148 7.00865 GPRESSURE: 1972800 307.48 -22.2505 27.0267 64.1246 120.59 -15.4367 -5.96283 -89.8106 -43.9331 PRESSAVG: 1972800 -1.47956 -15.23 -21.4304 -15.23 -29.3826 61.0907 -21.4304 61.0907 11.2295 GPRESSAVG: 1972800 2.27014 -16.5981 -22.9925 -14.7693 -32.2086 60.843 -20.1612 61.109 10.4213 TIMING: 1972800 CPU: 6296.12, 0.0031562/step Wall: 6296.12, 0.0031562/step, 2.65402 hours remaining, 242.218750 MB of memory in use. ENERGY: 1972800 4038.1563 20526.4983 14483.6903 244.3532 -203540.8173 2712.8946 0.0000 0.0000 52348.6066 -109186.6179 300.8482 -161535.2245 -108827.0186 299.7050 95.9782 128.0457 760458.7637 -6.5442 -6.5057 PRESSURE: 1973000 174.196 155.913 -38.8047 155.912 10.8419 -162.821 -38.8045 -162.82 483.083 GPRESSURE: 1973000 218.127 212.312 -38.146 103.619 52.4044 -96.7855 -17.5412 -7.35721 471.926 PRESSAVG: 1973000 -4.48719 16.099 17.6109 16.099 -7.42507 -5.78027 17.6108 -5.78028 -16.4015 GPRESSAVG: 1973000 -5.22762 15.9272 18.7231 18.3896 -7.13946 -5.53188 15.9893 -4.28096 -15.7827 TIMING: 1973000 CPU: 6296.76, 0.00316776/step Wall: 6296.76, 0.00316776/step, 2.66356 hours remaining, 242.218750 MB of memory in use. ENERGY: 1973000 4013.2658 20485.4314 14401.5452 238.5544 -203055.3924 2582.6608 0.0000 0.0000 52170.1367 -109163.7981 299.8225 -161333.9348 -108800.1563 299.8018 222.7070 247.4858 761128.6200 -9.4379 -9.3833 PRESSURE: 1973200 -163.799 -97.0734 -38.2921 -97.0737 -11.9494 212.567 -38.2914 212.565 275.42 GPRESSURE: 1973200 -22.4061 -57.9159 -32.5297 -118.226 7.81456 154.319 -81.6807 172.856 207.66 PRESSAVG: 1973200 -35.1273 10.5647 14.7203 10.5647 21.2113 21.06 14.7203 21.06 21.0909 GPRESSAVG: 1973200 -35.8295 10.6236 13.6421 8.27678 22.0203 20.0885 16.5869 18.8739 20.8546 TIMING: 1973200 CPU: 6297.39, 0.00317076/step Wall: 6297.39, 0.00317076/step, 2.66591 hours remaining, 242.218750 MB of memory in use. ENERGY: 1973200 3998.2520 20419.7583 14443.6511 256.4941 -202835.9550 2269.4065 0.0000 0.0000 52228.7717 -109219.6213 300.1595 -161448.3930 -108855.9281 299.7475 33.2238 64.3561 762313.8758 2.3916 2.3485 PRESSURE: 1973400 -208.15 -160.303 26.8864 -160.303 70.2455 300.616 26.8862 300.614 42.1153 GPRESSURE: 1973400 -152.236 -96.4277 129.003 -76.939 46.3815 236.343 -41.7165 306.873 85.4244 PRESSAVG: 1973400 -11.9526 -6.914 17.8205 -6.91395 15.8933 32.6285 17.8205 32.6284 10.6499 GPRESSAVG: 1973400 -11.9681 -7.76774 16.8308 -6.52009 14.9991 32.2483 17.1546 31.2734 11.6408 TIMING: 1973400 CPU: 6298.03, 0.00319661/step Wall: 6298.03, 0.00319661/step, 2.68746 hours remaining, 242.218750 MB of memory in use. ENERGY: 1973400 4027.5708 20532.9009 14455.2769 239.4992 -202895.7494 2384.0339 0.0000 0.0000 52035.2384 -109221.2292 299.0472 -161256.4676 -108867.5623 299.5033 -31.9299 -6.8099 762003.6674 4.8635 4.8906 PRESSURE: 1973600 290.642 -26.3631 -100.876 -26.3638 392.145 353.608 -100.876 353.608 15.0892 GPRESSURE: 1973600 163.704 -63.3753 43.4321 -82.536 493.117 341.036 -177.153 301.648 102.27 PRESSAVG: 1973600 22.3875 36.5225 -0.802133 36.5226 -47.5891 38.7104 -0.802169 38.7104 21.8234 GPRESSAVG: 1973600 21.8148 36.8499 0.765086 37.5176 -47.4016 38.9593 -0.839112 39.9579 22.3594 TIMING: 1973600 CPU: 6298.67, 0.00316974/step Wall: 6298.67, 0.00316974/step, 2.6647 hours remaining, 242.218750 MB of memory in use. ENERGY: 1973600 3973.1614 20586.0725 14575.4071 254.8739 -203115.1473 2479.1065 0.0000 0.0000 51782.3034 -109464.2224 297.5936 -161246.5258 -109106.9664 299.4308 232.6257 253.0304 760965.3856 -1.1260 -1.0758 PRESSURE: 1973800 155.788 -97.0846 -162.443 -97.0833 -130.889 72.4469 -162.444 72.4468 70.6114 GPRESSURE: 1973800 110.814 -141.158 -123.695 -62.8134 -102.69 50.7951 -73.9476 -6.62911 160.769 PRESSAVG: 1973800 -0.766512 -0.288358 -4.42044 -0.288318 23.7604 -3.47014 -4.42045 -3.47023 -22.282 GPRESSAVG: 1973800 -0.861615 -2.07012 -5.10647 -1.49628 24.2911 -2.35656 -4.74757 -4.33429 -22.0728 TIMING: 1973800 CPU: 6299.29, 0.00313939/step Wall: 6299.29, 0.00313939/step, 2.63901 hours remaining, 242.218750 MB of memory in use. ENERGY: 1973800 3983.3892 20573.3700 14465.1602 231.4268 -203327.1414 2615.0548 0.0000 0.0000 52099.4959 -109359.2446 299.4165 -161458.7405 -109001.3672 298.6864 31.8368 56.2975 760198.2347 0.2373 0.4522 PRESSURE: 1974000 62.4132 79.2453 -59.7091 79.2453 202.527 -39.5475 -59.7089 -39.5475 47.3196 GPRESSURE: 1974000 85.502 154.307 -76.6355 86.4073 170.485 -31.4655 -0.103528 -259.962 130.117 PRESSAVG: 1974000 40.7037 22.8216 55.458 22.8216 -60.0471 -23.9737 55.458 -23.9737 -18.5378 GPRESSAVG: 1974000 41.67 24.1493 56.0026 23.3596 -60.6702 -25.3486 55.5643 -21.6602 -18.653 TIMING: 1974000 CPU: 6299.92, 0.00314992/step Wall: 6299.92, 0.00314992/step, 2.64768 hours remaining, 242.218750 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: 1974000 3989.6583 20485.3193 14434.1185 253.7930 -203723.5792 2887.9366 0.0000 0.0000 51943.8879 -109728.8656 298.5222 -161672.7535 -109368.1407 299.1929 104.0866 128.7015 761740.5006 -12.6271 -12.5511 PRESSURE: 1974200 -37.3316 86.5436 -19.326 86.5439 77.2708 -157.2 -19.3264 -157.2 -84.9858 GPRESSURE: 1974200 -50.5469 80.8705 -39.9798 15.4433 150.765 -139.498 -1.3116 -157.879 -71.5465 PRESSAVG: 1974200 10.6034 5.80324 15.3849 5.80325 8.8563 45.191 15.3849 45.191 16.7699 GPRESSAVG: 1974200 11.3328 7.00403 14.6656 4.80679 8.55739 43.6131 17.0654 44.9117 16.8092 TIMING: 1974200 CPU: 6300.56, 0.00317061/step Wall: 6300.56, 0.00317061/step, 2.6649 hours remaining, 242.218750 MB of memory in use. ENERGY: 1974200 3967.2887 20547.5309 14361.2153 243.6724 -203409.9403 2534.6196 0.0000 0.0000 52015.8770 -109739.7365 298.9360 -161755.6135 -109374.9697 299.1076 -15.0155 9.5571 761372.9971 12.0765 12.2331 PRESSURE: 1974400 108.482 -0.880676 -93.589 -0.88057 154.716 8.07871 -93.5897 8.07947 -32.7012 GPRESSURE: 1974400 176.427 -45.4815 -123.765 -1.05004 148.497 -29.1082 -141.882 33.7451 -9.72446 PRESSAVG: 1974400 -9.04858 6.19305 -37.0098 6.19298 2.44648 -41.7705 -37.0097 -41.7705 4.92149 GPRESSAVG: 1974400 -8.30062 5.48123 -35.5485 6.58281 2.27319 -39.152 -39.8181 -43.2462 4.60496 TIMING: 1974400 CPU: 6301.2, 0.00321229/step Wall: 6301.2, 0.00321229/step, 2.69975 hours remaining, 242.218750 MB of memory in use. ENERGY: 1974400 4059.5672 20476.3679 14424.7566 242.3137 -203492.6975 2715.3403 0.0000 0.0000 51847.8783 -109726.4735 297.9705 -161574.3518 -109360.3910 298.8481 76.8322 105.0664 761005.8792 -0.5602 -0.4742 PRESSURE: 1974600 397.212 -143.449 57.6461 -143.449 213.245 125.109 57.6456 125.109 263.777 GPRESSURE: 1974600 379.426 -167.362 117.45 -19.9834 341.239 242.81 88.4227 60.0398 236.112 PRESSAVG: 1974600 -14.2395 -47.1473 -27.026 -47.1473 55.1648 -27.376 -27.026 -27.376 -4.02975 GPRESSAVG: 1974600 -14.0691 -46.3657 -28.0805 -46.7173 55.4816 -27.453 -25.5955 -25.5889 -4.59486 TIMING: 1974600 CPU: 6301.84, 0.00318935/step Wall: 6301.84, 0.00318935/step, 2.6803 hours remaining, 242.218750 MB of memory in use. ENERGY: 1974600 3977.4152 20678.8589 14421.3818 255.0937 -203693.6677 2899.9587 0.0000 0.0000 51946.0181 -109514.9413 298.5345 -161460.9594 -109159.0399 299.0551 291.4115 318.9255 760260.0838 12.2985 12.2726 PRESSURE: 1974800 -261.054 -0.0791962 -78.1478 -0.0791425 115.518 85.2933 -78.1474 85.2932 -388.729 GPRESSURE: 1974800 -129.413 -69.8473 -95.7311 26.8801 38.1307 41.4465 -48.1896 44.5151 -361.483 PRESSAVG: 1974800 -4.45821 -13.3996 8.26725 -13.3997 -20.3501 -36.5105 8.26726 -36.5104 15.9633 GPRESSAVG: 1974800 -5.4212 -14.2227 8.44404 -14.019 -20.1054 -38.0456 8.55027 -36.9668 16.381 TIMING: 1974800 CPU: 6302.48, 0.00318807/step Wall: 6302.48, 0.00318807/step, 2.67904 hours remaining, 242.218750 MB of memory in use. ENERGY: 1974800 3992.9746 20517.2024 14379.6415 243.7987 -203787.1708 2826.0049 0.0000 0.0000 52104.1280 -109723.4207 299.4431 -161827.5487 -109357.5508 299.3476 -178.0884 -150.9217 759672.5154 -2.9483 -3.0485 PRESSURE: 1975000 344.274 -154.155 -83.0983 -154.155 271.377 -36.7968 -83.0981 -36.7968 251.317 GPRESSURE: 1975000 399.662 -131.107 -63.494 -18.8621 230.319 -23.159 20.3429 -6.26697 333.799 PRESSAVG: 1975000 19.6695 43.213 -65.1133 43.213 -30.1203 -32.4524 -65.1134 -32.4524 33.5065 GPRESSAVG: 1975000 21.1346 44.1765 -65.002 43.4077 -30.7708 -32.1607 -66.0421 -32.1091 32.6213 TIMING: 1975000 CPU: 6303.11, 0.00319122/step Wall: 6303.11, 0.00319122/step, 2.68151 hours remaining, 242.218750 MB of memory in use. ENERGY: 1975000 3908.4696 20488.1436 14451.1047 232.9825 -203483.6575 2641.2490 0.0000 0.0000 51893.4626 -109868.2456 298.2324 -161761.7081 -109505.0586 298.4103 288.9896 321.2601 759974.5806 7.6852 7.6617 PRESSURE: 1975200 -109.893 -94.4636 34.5064 -94.4635 -157.485 225.757 34.5056 225.757 173.587 GPRESSURE: 1975200 -72.7912 -137.748 -38.0941 -115.652 -109.051 265.004 59.0219 249.97 205.835 PRESSAVG: 1975200 62.1639 24.2024 34.3873 24.2024 -32.4036 -53.225 34.3873 -53.2251 8.46762 GPRESSAVG: 1975200 59.612 21.9017 33.1104 23.9024 -32.4294 -52.421 34.8317 -53.5954 10.5938 TIMING: 1975200 CPU: 6303.75, 0.00319164/step Wall: 6303.75, 0.00319164/step, 2.68169 hours remaining, 242.218750 MB of memory in use. ENERGY: 1975200 4007.7898 20492.1826 14441.2008 251.9074 -203283.2783 2433.1062 0.0000 0.0000 51936.2822 -109720.8095 298.4785 -161657.0916 -109366.8818 298.4642 -31.2636 7.9975 761881.6528 12.7426 12.5921 PRESSURE: 1975400 -180.291 -81.4433 -9.32744 -81.4438 100.582 -137.877 -9.32738 -137.877 -132.062 GPRESSURE: 1975400 -203.597 -82.5267 2.65682 -12.9755 125.298 -164.366 -58.4285 0.898448 -49.1062 PRESSAVG: 1975400 -8.37342 -22.5207 48.4735 -22.5207 -22.7267 -17.9144 48.4735 -17.9144 -23.449 GPRESSAVG: 1975400 -8.18227 -22.7455 50.0783 -20.369 -22.6809 -17.3998 46.3711 -17.5167 -23.4968 TIMING: 1975400 CPU: 6304.39, 0.00319958/step Wall: 6304.39, 0.00319958/step, 2.68818 hours remaining, 242.218750 MB of memory in use. ENERGY: 1975400 3991.9547 20483.8623 14385.2127 263.0302 -203562.8051 3036.8532 0.0000 0.0000 51805.5450 -109596.3470 297.7272 -161401.8920 -109242.4997 298.5574 -70.5904 -42.4684 762249.0240 -18.1830 -18.1200 PRESSURE: 1975600 64.7831 -81.8248 -76.1626 -81.8238 -60.455 -315.794 -76.162 -315.795 345.084 GPRESSURE: 1975600 208.007 -66.9531 -36.8674 46.0875 -21.2042 -294.051 -65.7081 -334.818 262.947 PRESSAVG: 1975600 14.5725 -1.53077 17.7019 -1.53082 -15.2394 -20.9281 17.7019 -20.9281 -18.6984 GPRESSAVG: 1975600 15.4326 -1.36617 16.0094 -1.97665 -15.1184 -22.7527 19.5094 -21.2345 -19.7776 TIMING: 1975600 CPU: 6305.03, 0.00317294/step Wall: 6305.03, 0.00317294/step, 2.66563 hours remaining, 242.218750 MB of memory in use. ENERGY: 1975600 4004.2584 20568.4523 14388.3434 243.7591 -203896.8500 2798.7054 0.0000 0.0000 52272.4367 -109620.8947 300.4104 -161893.3314 -109256.1343 298.9579 116.4706 149.9166 761550.1018 -6.4551 -6.4878 PRESSURE: 1975800 -136.088 -121.035 -144.781 -121.035 -114.517 -147.436 -144.782 -147.437 -168.122 GPRESSURE: 1975800 -155.939 -70.8456 -103.789 -134.068 -117.521 -155.862 -119.077 -14.1185 -74.7146 PRESSAVG: 1975800 -17.1721 -15.0355 16.4897 -15.0355 -7.16639 -39.1157 16.4897 -39.1157 -22.8327 GPRESSAVG: 1975800 -16.962 -12.6951 17.5826 -15.7566 -7.15534 -36.6559 16.8184 -39.5219 -23.0485 TIMING: 1975800 CPU: 6305.66, 0.00318552/step Wall: 6305.66, 0.00318553/step, 2.67602 hours remaining, 242.218750 MB of memory in use. ENERGY: 1975800 3950.8434 20505.0202 14470.8236 244.5147 -203412.0558 2479.8484 0.0000 0.0000 52294.7544 -109466.2511 300.5387 -161761.0055 -109105.4553 298.8222 -139.5758 -116.0585 762436.4783 -15.7237 -15.7219 PRESSURE: 1976000 283.027 -113.646 -134.807 -113.646 -106.723 138.63 -134.808 138.63 -144.309 GPRESSURE: 1976000 245.031 -105.848 -116.831 -53.0742 -66.9032 131.473 -94.1228 117.128 -85.0241 PRESSAVG: 1976000 26.927 19.5693 -23.403 19.5693 -11.0606 10.9286 -23.403 10.9286 1.86847 GPRESSAVG: 1976000 25.3736 17.3313 -24.3541 18.3721 -9.57391 11.2413 -22.4985 9.41326 2.19035 TIMING: 1976000 CPU: 6306.3, 0.00316712/step Wall: 6306.3, 0.00316712/step, 2.66038 hours remaining, 242.218750 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: 1976000 3946.4436 20495.8007 14442.4354 250.7919 -203452.6097 2830.9355 0.0000 0.0000 52030.4677 -109455.7349 299.0198 -161486.2026 -109097.6159 298.8677 10.6650 31.0347 762015.6353 5.9116 5.9967 PRESSURE: 1976200 -263.08 153.516 4.98308 153.516 -47.2154 42.27 4.98301 42.2705 66.5131 GPRESSURE: 1976200 -173.977 64.3311 -70.3174 -12.6374 3.01503 25.9366 95.7961 34.1569 18.3187 PRESSAVG: 1976200 33.2593 -26.0376 5.40491 -26.0376 -17.4848 -31.361 5.40494 -31.3611 -21.8195 GPRESSAVG: 1976200 34.6145 -25.7054 6.45813 -26.1827 -17.7597 -31.6696 3.44321 -30.2544 -22.5025 TIMING: 1976200 CPU: 6306.93, 0.00316118/step Wall: 6306.93, 0.00316118/step, 2.65522 hours remaining, 242.218750 MB of memory in use. ENERGY: 1976200 4014.7824 20485.3741 14443.2556 225.0222 -203061.5081 2278.6910 0.0000 0.0000 52061.1723 -109553.2104 299.1963 -161614.3827 -109189.4770 298.8369 -81.2608 -50.8809 759981.0707 -2.0150 -1.8826 LDB: ============= START OF LOAD BALANCING ============== 6319.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6319.38 LDB: =============== DONE WITH MIGRATION ================ 6319.38 LDB: ============= START OF LOAD BALANCING ============== 6319.7 LDB: Largest compute 7071 load 0.034324 is 17.6% of average load 0.195217 LDB: Average compute 0.004384 is 2.2% of average load 0.195217 LDB: TIME 6319.7 LOAD: AVG 0.195217 MAX 0.217213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.02 MB LDB: TIME 6319.7 LOAD: AVG 0.195217 MAX 0.217213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.02 MB LDB: TIME 6319.7 LOAD: AVG 0.195217 MAX 0.217213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.02 MB LDB: ============== END OF LOAD BALANCING =============== 6319.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6319.71 PRESSURE: 1976400 -19.858 -136.15 -56.4192 -136.15 47.0257 -32.7888 -56.4195 -32.7898 77.1935 GPRESSURE: 1976400 -25.0197 -126.075 29.9828 -193.736 41.4843 10.5942 -25.5961 69.711 161.944 PRESSAVG: 1976400 13.1542 38.2925 6.3799 38.2926 25.4938 -2.74076 6.37994 -2.74074 -23.2043 GPRESSAVG: 1976400 13.2008 37.2606 7.25583 40.5322 24.7794 -3.55539 7.25182 -1.87509 -23.0318 TIMING: 1976400 CPU: 6307.57, 0.00321144/step Wall: 6307.57, 0.00321144/step, 2.69725 hours remaining, 241.031250 MB of memory in use. ENERGY: 1976400 4007.1926 20460.0491 14495.8880 237.0983 -203061.3402 2320.7560 0.0000 0.0000 51964.5034 -109575.8529 298.6407 -161540.3563 -109203.5005 298.8346 34.7871 59.4696 761355.9206 5.1479 4.9828 PRESSURE: 1976600 -341.062 108.323 142.136 108.323 -256.051 53.2162 142.136 53.2173 149.356 GPRESSURE: 1976600 -267.035 151.742 39.6822 59.9874 -212.14 -1.72844 113.489 43.814 141.582 PRESSAVG: 1976600 42.9776 10.0111 -26.3591 10.0111 -17.7857 20.2046 -26.3591 20.2046 6.23523 GPRESSAVG: 1976600 43.7747 9.54603 -26.8214 10.0223 -18.7112 21.7401 -24.205 19.6662 6.55625 TIMING: 1976600 CPU: 6308.2, 0.00315712/step Wall: 6308.2, 0.00315712/step, 2.65146 hours remaining, 241.234375 MB of memory in use. ENERGY: 1976600 3965.4848 20408.0790 14474.3321 229.3351 -203007.8701 2466.4577 0.0000 0.0000 52142.0930 -109322.0884 299.6613 -161464.1813 -108960.8527 299.3305 -149.2523 -112.5308 761247.0215 10.4757 10.5399 PRESSURE: 1976800 42.699 82.9324 -182.849 82.9324 -236.843 3.80816 -182.85 3.80993 -227.461 GPRESSURE: 1976800 -74.4511 -82.4584 -96.6294 103.085 -126.183 39.2508 -198.376 -75.9619 -150.416 PRESSAVG: 1976800 -9.66415 -69.1771 -10.1003 -69.1771 -3.32369 -44.6702 -10.1003 -44.6701 -16.9077 GPRESSAVG: 1976800 -10.2272 -68.414 -11.994 -68.1111 -2.88855 -46.1826 -12.3276 -44.0615 -16.5917 TIMING: 1976800 CPU: 6308.83, 0.00314207/step Wall: 6308.83, 0.00314207/step, 2.63864 hours remaining, 241.234375 MB of memory in use. ENERGY: 1976800 3988.0084 20563.6288 14430.5479 242.6001 -202989.6344 2375.3154 0.0000 0.0000 52299.8228 -109089.7110 300.5678 -161389.5339 -108723.7690 299.4844 -140.5352 -117.0166 761191.8029 -9.9652 -9.9025 PRESSURE: 1977000 -263.371 31.2701 -263.8 31.2691 24.6367 42.4064 -263.801 42.4069 -161.8 GPRESSURE: 1977000 -152.577 46.5363 -244.049 16.9533 27.9885 46.0855 -251.285 73.0733 -191.796 PRESSAVG: 1977000 4.59645 20.4694 -35.2682 20.4693 -14.2346 -54.1901 -35.2682 -54.1902 -7.35764 GPRESSAVG: 1977000 4.24493 20.9155 -33.8219 17.3532 -14.2052 -52.7502 -35.0686 -56.2704 -7.29068 TIMING: 1977000 CPU: 6309.47, 0.00319188/step Wall: 6309.47, 0.00319188/step, 2.68029 hours remaining, 241.234375 MB of memory in use. ENERGY: 1977000 4040.1464 20538.9431 14464.4962 257.9605 -202899.6512 2406.4729 0.0000 0.0000 52206.4913 -108985.1408 300.0314 -161191.6321 -108620.0595 300.1966 -133.5112 -105.4612 763986.0384 -5.6653 -5.7503 PRESSURE: 1977200 108.814 -37.4872 -33.9714 -37.487 -11.7233 -30.3092 -33.9714 -30.3095 -488.572 GPRESSURE: 1977200 15.2243 -36.445 -52.9672 -72.8513 131.003 13.9999 36.0457 -59.8513 -444.758 PRESSAVG: 1977200 -10.0151 -47.9022 -30.9151 -47.9022 -2.1897 24.8715 -30.9151 24.8716 -6.47412 GPRESSAVG: 1977200 -10.0575 -47.6185 -30.4554 -47.2209 -1.88009 23.0057 -30.3005 26.727 -6.44137 TIMING: 1977200 CPU: 6310.11, 0.00320221/step Wall: 6310.11, 0.00320221/step, 2.68879 hours remaining, 241.234375 MB of memory in use. ENERGY: 1977200 4050.5060 20417.7834 14478.0420 266.4302 -202892.2135 2588.1681 0.0000 0.0000 52145.5306 -108945.7532 299.6811 -161091.2838 -108580.5707 300.2003 -130.4938 -99.5102 763840.0962 -6.2263 -6.1263 PRESSURE: 1977400 267.03 -218.011 139.931 -218.011 365.37 -126.476 139.931 -126.475 0.977295 GPRESSURE: 1977400 294.186 -158.845 128.822 -110.542 377.814 -136.791 151.409 -86.2754 38.8525 PRESSAVG: 1977400 -4.99574 -22.4 -27.4117 -22.3999 -5.97046 -3.25975 -27.4117 -3.25978 13.1871 GPRESSAVG: 1977400 -4.38662 -21.3083 -28.7678 -22.9678 -7.11309 -1.59218 -27.2329 -3.99007 13.6089 TIMING: 1977400 CPU: 6310.75, 0.00318112/step Wall: 6310.75, 0.00318112/step, 2.6709 hours remaining, 241.234375 MB of memory in use. ENERGY: 1977400 4056.5508 20575.6524 14513.5893 240.3241 -203216.6239 2751.1521 0.0000 0.0000 52088.8865 -108990.4687 299.3555 -161079.3552 -108630.1087 300.3732 211.1258 236.9508 761543.6538 0.7403 0.7030 PRESSURE: 1977600 -168.928 5.7172 -148.016 5.71712 -100.322 280.901 -148.015 280.9 -191.932 GPRESSURE: 1977600 -39.1537 71.3352 -95.9127 52.3311 -126.699 331.037 -156.24 267.11 -180.616 PRESSAVG: 1977600 1.45722 -25.6773 -48.1679 -25.6773 8.15347 -41.5078 -48.1679 -41.5078 18.6268 GPRESSAVG: 1977600 0.114541 -25.7517 -48.0345 -25.7763 10.4763 -41.8378 -50.4427 -39.8046 17.7413 TIMING: 1977600 CPU: 6311.39, 0.00320414/step Wall: 6311.39, 0.00320414/step, 2.69006 hours remaining, 241.234375 MB of memory in use. ENERGY: 1977600 3981.6922 20294.0001 14421.2131 255.1429 -203113.7498 2655.9403 0.0000 0.0000 52300.4709 -109205.2903 300.5715 -161505.7612 -108837.3433 299.4519 -153.7274 -115.4898 762672.8058 9.4125 9.4440 PRESSURE: 1977800 -119.318 24.3056 176.096 24.3056 -87.5687 -91.3758 176.097 -91.3753 -291.405 GPRESSURE: 1977800 -109.491 24.0735 213.549 33.8141 -14.1716 -120.666 92.1283 31.5933 -284.022 PRESSAVG: 1977800 -9.03197 -42.0076 -13.043 -42.0076 23.1893 -20.2965 -13.043 -20.2964 -13.4625 GPRESSAVG: 1977800 -7.35343 -41.8204 -12.7149 -41.7387 21.3375 -20.3576 -12.5859 -21.8197 -13.1893 TIMING: 1977800 CPU: 6312.02, 0.00317543/step Wall: 6312.02, 0.00317543/step, 2.66577 hours remaining, 241.234375 MB of memory in use. ENERGY: 1977800 4063.4119 20543.6973 14505.7232 235.1710 -202470.5957 2085.8357 0.0000 0.0000 52159.1282 -108877.6285 299.7592 -161036.7566 -108513.1424 300.5068 -166.0974 -135.8949 762374.2336 0.2316 0.2649 PRESSURE: 1978000 -182.912 -102.92 -114.307 -102.92 -194.459 -24.8608 -114.307 -24.86 133.182 GPRESSURE: 1978000 -168.913 -56.3145 -116.238 -46.085 -89.5949 -14.1693 -72.1092 -8.3879 126.929 PRESSAVG: 1978000 69.22 -7.59553 -0.0966662 -7.59558 -23.4468 -64.5592 -0.0966711 -64.5593 -14.6695 GPRESSAVG: 1978000 68.2306 -8.66379 -0.412581 -7.72342 -22.7063 -64.145 0.410064 -65.5752 -14.3408 TIMING: 1978000 CPU: 6312.67, 0.00322097/step Wall: 6312.67, 0.00322097/step, 2.70382 hours remaining, 241.234375 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: 1978000 4057.0301 20489.1523 14408.6708 241.0121 -203155.2928 2727.0282 0.0000 0.0000 52167.2129 -109065.1864 299.8057 -161232.3993 -108717.2006 300.2378 -81.3965 -43.8596 761029.4922 10.3679 10.3945 PRESSURE: 1978200 102.011 -198.591 13.3621 -198.591 108.077 -13.3259 13.3624 -13.3251 15.5626 GPRESSURE: 1978200 210.035 -106.714 -47.258 -114.537 54.0138 -106.843 -99.9242 4.18072 46.4466 PRESSAVG: 1978200 -10.0452 -120.021 13.3214 -120.021 14.696 8.01902 13.3214 8.01909 -3.72874 GPRESSAVG: 1978200 -9.09366 -119.936 14.4172 -120.403 15.077 7.24085 12.8222 8.98659 -4.76585 TIMING: 1978200 CPU: 6313.31, 0.00324353/step Wall: 6313.31, 0.00324353/step, 2.72259 hours remaining, 241.234375 MB of memory in use. ENERGY: 1978200 4035.9155 20501.8965 14492.4820 251.2583 -202843.0782 2394.6773 0.0000 0.0000 52139.2537 -109027.5949 299.6450 -161166.8486 -108666.7716 299.9506 75.2167 103.4986 760872.7912 0.3074 0.4058 PRESSURE: 1978400 126.529 -48.9263 -25.0238 -48.9267 -112.497 -9.05048 -25.024 -9.05015 10.6318 GPRESSURE: 1978400 109.315 -106.698 33.6888 -103.084 -114.351 11.1827 -41.7007 -46.684 95.5932 PRESSAVG: 1978400 -18.985 -65.8475 -9.25551 -65.8476 82.3767 47.1893 -9.25553 47.1893 12.3298 GPRESSAVG: 1978400 -19.2061 -65.8967 -9.76062 -65.9332 82.7692 47.4722 -7.84853 46.098 12.2897 TIMING: 1978400 CPU: 6313.96, 0.00320271/step Wall: 6313.96, 0.00320271/step, 2.68814 hours remaining, 241.234375 MB of memory in use. ENERGY: 1978400 4001.5682 20423.6944 14446.9346 253.6452 -203180.4885 2751.8988 0.0000 0.0000 52195.6888 -109107.0584 299.9693 -161302.7472 -108732.2673 300.1642 8.2212 30.1856 761968.3972 25.2405 25.2842 PRESSURE: 1978600 -311.601 -135.278 39.7686 -135.278 83.8879 -227.332 39.7683 -227.331 -176.723 GPRESSURE: 1978600 -157.472 -86.3519 68.6032 -55.6712 23.0753 -138.511 -20.3302 -145.936 -202.99 PRESSAVG: 1978600 -45.6386 7.03967 -72.8808 7.03969 5.65287 -31.9403 -72.8809 -31.9403 -15.7394 GPRESSAVG: 1978600 -45.6306 8.35004 -73.6295 7.65559 4.64397 -31.9469 -73.8357 -29.0683 -14.687 TIMING: 1978600 CPU: 6314.59, 0.00316647/step Wall: 6314.59, 0.00316647/step, 2.65755 hours remaining, 241.234375 MB of memory in use. ENERGY: 1978600 3999.6115 20543.8371 14474.1860 238.5969 -203135.4109 2599.5678 0.0000 0.0000 52143.8482 -109135.7635 299.6714 -161279.6116 -108763.0557 299.5880 -134.8123 -112.4624 762960.0707 -18.5750 -18.5579 PRESSURE: 1978800 -197.47 94.9424 -5.62295 94.9436 17.8326 -210.538 -5.62241 -210.537 188.11 GPRESSURE: 1978800 -104.294 18.8332 11.5164 74.6519 -15.9318 -247.312 -41.2313 -75.7352 221.172 PRESSAVG: 1978800 26.1669 -16.546 10.6268 -16.546 -25.7129 -25.99 10.6268 -25.99 -7.03598 GPRESSAVG: 1978800 27.5839 -15.7794 10.302 -17.2762 -25.5357 -25.5905 11.1615 -26.6677 -8.45148 TIMING: 1978800 CPU: 6315.22, 0.00317024/step Wall: 6315.22, 0.00317024/step, 2.66053 hours remaining, 241.234375 MB of memory in use. ENERGY: 1978800 3995.1105 20470.4323 14441.4323 272.5002 -202856.8483 2491.8330 0.0000 0.0000 52249.9896 -108935.5506 300.2814 -161185.5401 -108583.6002 300.1167 2.8241 33.6487 762136.6836 -2.1940 -2.1344 PRESSURE: 1979000 255.383 210.796 92.7135 210.796 246.039 -174.52 92.7135 -174.52 161.081 GPRESSURE: 1979000 301.48 15.2404 18.9097 163.388 248.524 -230.618 46.6632 -177.254 206.774 PRESSAVG: 1979000 8.60909 3.24242 36.9462 3.24235 -87.3542 3.61549 36.9461 3.61558 -14.5136 GPRESSAVG: 1979000 7.26557 0.284369 38.8961 2.7891 -87.1621 3.04892 35.3275 1.53231 -13.8578 TIMING: 1979000 CPU: 6315.85, 0.00314958/step Wall: 6315.85, 0.00314958/step, 2.64302 hours remaining, 241.234375 MB of memory in use. ENERGY: 1979000 3957.1221 20562.1386 14411.3367 237.2157 -202795.6414 2621.4094 0.0000 0.0000 52148.6547 -108857.7642 299.6990 -161006.4189 -108497.8060 299.8249 220.8343 252.2593 762531.8263 -31.0862 -31.2514 PRESSURE: 1979200 -107.541 34.0255 225.317 34.0256 121.31 178.658 225.317 178.657 -246.971 GPRESSURE: 1979200 -50.0399 72.3026 243.857 -63.4149 174.573 139.714 173.73 191.546 -262.874 PRESSAVG: 1979200 14.7289 0.583213 18.6497 0.583193 14.9351 19.7746 18.6496 19.7746 -16.8307 GPRESSAVG: 1979200 14.9998 1.83345 16.7481 4.03832 15.0403 18.5351 18.7565 19.1982 -16.4345 TIMING: 1979200 CPU: 6316.49, 0.00318303/step Wall: 6316.49, 0.00318303/step, 2.67092 hours remaining, 241.234375 MB of memory in use. ENERGY: 1979200 3964.3200 20516.4344 14477.2944 236.6110 -202572.8955 2461.4239 0.0000 0.0000 51889.9736 -109026.8382 298.2124 -160916.8118 -108656.5546 299.7674 -77.7341 -46.1137 764288.6332 4.2778 4.5352 PRESSURE: 1979400 188.198 -123.355 19.2623 -123.354 -231.13 75.0818 19.2613 75.0802 98.7382 GPRESSURE: 1979400 221.918 20.4325 63.9855 -183.32 -191.474 147.313 29.303 105.808 114.387 PRESSAVG: 1979400 22.1041 -12.3902 29.249 -12.3902 34.9471 47.512 29.249 47.512 20.1302 GPRESSAVG: 1979400 22.2826 -11.8636 28.5127 -14.5902 35.3518 49.5782 29.5352 49.8806 19.3906 TIMING: 1979400 CPU: 6317.12, 0.00315737/step Wall: 6317.12, 0.00315737/step, 2.64921 hours remaining, 241.234375 MB of memory in use. ENERGY: 1979400 3976.0968 20554.3885 14438.2686 243.5814 -202881.6713 2448.1267 0.0000 0.0000 52169.5059 -109051.7034 299.8189 -161221.2093 -108694.3331 299.6955 18.6021 48.2770 760727.7865 25.7272 25.6750 PRESSURE: 1979600 -234.214 -25.6581 64.23 -25.659 -191.097 -94.2942 64.2311 -94.2935 -107.831 GPRESSURE: 1979600 -210.699 -122.697 -28.7724 -141.47 -135.328 -75.2934 -109.385 -100.523 -92.1318 PRESSAVG: 1979600 65.7182 -23.0955 5.45343 -23.0955 -55.4369 20.3715 5.45342 20.3716 -0.980552 GPRESSAVG: 1979600 65.9075 -23.4562 6.21498 -23.3644 -56.6745 20.9136 6.19896 19.0339 -0.322627 TIMING: 1979600 CPU: 6317.75, 0.00313772/step Wall: 6317.75, 0.00313772/step, 2.63255 hours remaining, 241.234375 MB of memory in use. ENERGY: 1979600 4074.9932 20449.1872 14478.2014 250.4073 -202832.7325 2384.5294 0.0000 0.0000 51730.5693 -109464.8447 297.2963 -161195.4140 -109112.3717 299.1157 -177.7142 -146.0530 761077.3652 3.1003 2.9701 PRESSURE: 1979800 -111.922 -140.268 61.8327 -140.268 -517.237 -199.479 61.8319 -199.48 -174.079 GPRESSURE: 1979800 -193.285 -220.77 15.0176 -86.9602 -338.924 -204.724 54.198 -198.857 -198.76 PRESSAVG: 1979800 33.371 -14.2537 -11.4279 -14.2536 -59.5116 -8.7345 -11.4279 -8.7345 -10.3355 GPRESSAVG: 1979800 32.5698 -14.1687 -11.495 -15.4632 -58.2168 -10.8101 -11.087 -9.98908 -11.3418 TIMING: 1979800 CPU: 6318.38, 0.00313557/step Wall: 6318.38, 0.00313557/step, 2.63057 hours remaining, 241.234375 MB of memory in use. ENERGY: 1979800 4036.9542 20487.9799 14412.9059 239.5415 -203157.2409 2648.9705 0.0000 0.0000 51656.7945 -109674.0944 296.8723 -161330.8889 -109315.8978 298.4466 -267.7459 -243.6566 761482.6303 -12.1587 -12.3296 PRESSURE: 1980000 -64.0649 70.6318 262.21 70.6327 -348.758 -115.183 262.209 -115.184 159.846 GPRESSURE: 1980000 10.9863 5.34594 138.573 89.1051 -360.571 -73.9919 202.866 -120.606 176.03 PRESSAVG: 1980000 41.7183 -26.9209 -17.6018 -26.9209 -43.0241 8.40506 -17.6019 8.4051 1.24552 GPRESSAVG: 1980000 42.0705 -26.6083 -18.429 -25.6516 -45.0454 9.25401 -16.4099 8.88367 2.15787 TIMING: 1980000 CPU: 6319.01, 0.00314956/step Wall: 6319.01, 0.00314956/step, 2.64213 hours remaining, 241.234375 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: 1980000 3927.0903 20425.4238 14419.1114 249.1352 -202919.0695 2369.5762 0.0000 0.0000 51818.8367 -109709.8960 297.8036 -161528.7327 -109339.7919 298.2492 -84.3257 -57.8516 760965.3594 -0.0201 -0.2723 PRESSURE: 1980200 -26.9144 -83.3111 29.2293 -83.3115 27.5187 -105.932 29.2294 -105.931 -260.9 GPRESSURE: 1980200 -28.1955 -134.02 34.7237 -74.5518 123.661 -83.917 144.246 -71.8888 -256.797 PRESSAVG: 1980200 41.0197 -30.4454 -8.30332 -30.4453 -78.5265 -28.1486 -8.3033 -28.1486 -1.62655 GPRESSAVG: 1980200 40.5792 -28.9317 -6.07919 -31.1119 -77.74 -27.4415 -10.9145 -28.3889 -1.65187 TIMING: 1980200 CPU: 6319.63, 0.00313129/step Wall: 6319.63, 0.00313129/step, 2.62663 hours remaining, 241.234375 MB of memory in use. ENERGY: 1980200 3909.8316 20404.7653 14397.3533 245.2471 -203517.3273 2651.9504 0.0000 0.0000 52110.5380 -109797.6416 299.4800 -161908.1796 -109429.8409 298.5456 -86.7654 -53.7771 760823.5231 -13.0445 -12.9376 LDB: ============= START OF LOAD BALANCING ============== 6332.08 LDB: ============== END OF LOAD BALANCING =============== 6332.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6332.08 LDB: ============= START OF LOAD BALANCING ============== 6332.4 LDB: Largest compute 7071 load 0.036264 is 18.6% of average load 0.195122 LDB: Average compute 0.004386 is 2.2% of average load 0.195122 LDB: TIME 6332.4 LOAD: AVG 0.195122 MAX 0.21699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.961 MB LDB: TIME 6332.4 LOAD: AVG 0.195122 MAX 0.21699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.164 MB LDB: TIME 6332.4 LOAD: AVG 0.195122 MAX 0.21699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.164 MB LDB: ============== END OF LOAD BALANCING =============== 6332.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6332.41 PRESSURE: 1980400 221.538 -54.8464 -49.2833 -54.8476 37.2303 -231.312 -49.2827 -231.312 136.916 GPRESSURE: 1980400 291.206 -123.262 -57.4458 -127.593 49.957 -166.189 -59.106 -121.649 153.274 PRESSAVG: 1980400 30.2192 21.594 12.6379 21.594 4.58677 8.96689 12.6379 8.96696 15.2694 GPRESSAVG: 1980400 30.0884 17.9476 13.5188 20.6497 5.22314 8.82773 13.3692 11.7346 14.3019 TIMING: 1980400 CPU: 6320.27, 0.00321591/step Wall: 6320.27, 0.00321591/step, 2.69743 hours remaining, 240.347656 MB of memory in use. ENERGY: 1980400 4010.1985 20501.7786 14454.6228 250.7279 -203554.3520 2720.1213 0.0000 0.0000 51912.7228 -109704.1801 298.3431 -161616.9029 -109342.4865 298.8387 131.8949 164.8124 759094.5096 16.6918 16.5378 PRESSURE: 1980600 -653.283 -62.3228 -412.449 -62.3228 -395.688 93.9313 -412.449 93.9315 -232.754 GPRESSURE: 1980600 -513.622 -186.073 -375.801 -79.4637 -348.115 117.416 -338.533 88.0746 -356.053 PRESSAVG: 1980600 -50.1657 20.4949 -5.01394 20.4949 17.8556 36.6594 -5.01388 36.6594 0.805713 GPRESSAVG: 1980600 -49.3923 22.766 -7.09222 22.3364 17.664 37.6349 -5.03994 34.2079 -0.0383545 TIMING: 1980600 CPU: 6320.9, 0.00313553/step Wall: 6320.9, 0.00313553/step, 2.62984 hours remaining, 240.347656 MB of memory in use. ENERGY: 1980600 3986.7490 20431.4017 14385.0418 270.5425 -202970.6450 2157.1941 0.0000 0.0000 51775.4965 -109964.2195 297.5545 -161739.7160 -109603.5362 298.3407 -427.2416 -405.9298 761496.8216 -10.5014 -10.5889 PRESSURE: 1980800 137.757 194.923 -64.3064 194.922 320.482 106.392 -64.3053 106.393 -134.206 GPRESSURE: 1980800 155.486 163.656 -91.3543 197.1 375.272 175.33 26.3146 -8.49254 -152.263 PRESSAVG: 1980800 -39.0763 -17.9174 -17.2744 -17.9174 6.93715 49.4667 -17.2744 49.4667 2.74221 GPRESSAVG: 1980800 -39.9356 -20.6639 -16.1664 -17.4158 6.93407 49.1393 -17.6416 48.9358 3.50895 TIMING: 1980800 CPU: 6321.53, 0.00313132/step Wall: 6321.53, 0.00313132/step, 2.62614 hours remaining, 240.347656 MB of memory in use. ENERGY: 1980800 3983.5037 20404.0758 14449.8652 235.9085 -203599.0650 2917.2242 0.0000 0.0000 51694.9044 -109913.5831 297.0913 -161608.4875 -109554.7878 298.0913 108.0109 126.1648 762083.9173 -9.7990 -9.8308 PRESSURE: 1981000 -39.9356 165.283 -168.473 165.283 41.7296 -76.8517 -168.473 -76.8516 219.544 GPRESSURE: 1981000 -79.5208 209.581 -111.547 218.005 160.505 -107.059 -100.503 -9.47945 227.004 PRESSAVG: 1981000 -9.92978 -2.5683 25.9632 -2.56827 9.12508 32.5959 25.9631 32.5958 2.08962 GPRESSAVG: 1981000 -9.76356 0.373901 27.2641 -3.57907 8.49009 31.8556 26.1855 33.0006 2.22173 TIMING: 1981000 CPU: 6322.16, 0.00315233/step Wall: 6322.16, 0.00315233/step, 2.64358 hours remaining, 240.347656 MB of memory in use. ENERGY: 1981000 3914.0357 20540.1475 14381.7322 253.9891 -203768.1559 2938.0486 0.0000 0.0000 51922.5914 -109817.6114 298.3998 -161740.2029 -109460.6338 298.3662 73.7793 102.6628 761535.7699 0.4283 0.3161 PRESSURE: 1981200 -417.506 59.9937 99.9119 59.9939 -179.497 112.93 99.9122 112.93 -531.156 GPRESSURE: 1981200 -278.792 156.1 158.582 145.725 -115.44 165.682 73.4786 102.695 -645.929 PRESSAVG: 1981200 -16.038 -13.9431 -9.68079 -13.9431 5.28364 -14.3996 -9.68081 -14.3995 25.7272 GPRESSAVG: 1981200 -15.6115 -15.326 -10.1227 -13.4396 5.45572 -14.4924 -9.96385 -12.1518 25.1872 TIMING: 1981200 CPU: 6322.79, 0.00314151/step Wall: 6322.79, 0.00314151/step, 2.63433 hours remaining, 240.347656 MB of memory in use. ENERGY: 1981200 3974.3369 20404.3029 14399.6278 244.9842 -203083.2709 2389.7946 0.0000 0.0000 51878.5774 -109791.6471 298.1469 -161670.2245 -109425.0207 298.3019 -376.0531 -346.7205 762790.3253 4.9909 5.0105 PRESSURE: 1981400 -166.099 115.483 5.50115 115.484 -126.597 -88.2981 5.50117 -88.2973 -291.029 GPRESSURE: 1981400 -80.537 128.379 64.7295 163.529 -203.495 -111.04 -41.5842 -223.964 -199.311 PRESSAVG: 1981400 -9.49388 17.8818 22.5935 17.8818 -29.7059 30.953 22.5935 30.953 -9.9749 GPRESSAVG: 1981400 -9.93249 19.1852 21.367 17.8118 -29.6287 29.6871 20.8876 30.403 -9.39256 TIMING: 1981400 CPU: 6323.42, 0.00314616/step Wall: 6323.42, 0.00314616/step, 2.63805 hours remaining, 240.347656 MB of memory in use. ENERGY: 1981400 4066.7662 20419.6244 14332.1736 258.2500 -203346.4036 2559.9783 0.0000 0.0000 51930.2147 -109779.3963 298.4437 -161709.6111 -109406.5744 298.3594 -194.5749 -161.1142 763525.3713 -16.3916 -16.3179 PRESSURE: 1981600 -240.879 172.625 97.1131 172.625 -176.533 -93.9598 97.1136 -93.9598 -31.651 GPRESSURE: 1981600 -169.941 126.658 191.25 126.206 -234.122 -111.381 137.509 -81.0427 36.4235 PRESSAVG: 1981600 11.984 -13.2043 -41.6953 -13.2043 5.16114 -8.80364 -41.6952 -8.80366 17.1584 GPRESSAVG: 1981600 11.6986 -16.1787 -40.8558 -10.7807 3.87062 -5.91735 -39.5463 -10.7073 18.6369 TIMING: 1981600 CPU: 6324.05, 0.00316515/step Wall: 6324.05, 0.00316515/step, 2.6538 hours remaining, 240.347656 MB of memory in use. ENERGY: 1981600 4038.5532 20520.3193 14417.8857 237.9653 -203412.4756 2746.7723 0.0000 0.0000 52024.5194 -109426.4605 298.9856 -161450.9799 -109070.8342 298.8071 -149.6875 -122.5465 762523.7733 11.4345 11.4020 PRESSURE: 1981800 -223.717 5.54887 118.018 5.54889 -282.109 -24.2076 118.018 -24.208 -673.595 GPRESSURE: 1981800 -128.846 -85.1912 130.146 -56.9417 -283.251 28.1317 44.8503 70.2454 -688.824 PRESSAVG: 1981800 -25.7998 12.4664 31.4677 12.4663 25.1659 15.1013 31.4677 15.1013 -12.8169 GPRESSAVG: 1981800 -26.3172 15.402 32.7616 11.576 27.5 14.7743 31.3815 16.3743 -14.2094 TIMING: 1981800 CPU: 6324.69, 0.00318193/step Wall: 6324.69, 0.00318193/step, 2.6677 hours remaining, 240.347656 MB of memory in use. ENERGY: 1981800 4079.5275 20393.0017 14503.6111 243.0861 -202983.2004 2115.6010 0.0000 0.0000 52186.2155 -109462.1574 299.9149 -161648.3729 -109104.5617 299.6324 -393.1405 -366.9738 763503.6599 -4.4836 -4.3422 PRESSURE: 1982000 -45.5504 16.9054 -33.3936 16.9065 180.491 74.8584 -33.3936 74.858 -132.412 GPRESSURE: 1982000 0.0275718 39.9953 15.323 70.2538 196.036 43.2896 63.0478 115.492 -112.239 PRESSAVG: 1982000 -45.1146 -39.2385 -8.39866 -39.2386 62.9299 66.7151 -8.39872 66.7151 -25.1861 GPRESSAVG: 1982000 -44.4464 -38.9959 -9.45508 -40.4012 61.4847 65.3109 -11.1305 68.5156 -24.8444 TIMING: 1982000 CPU: 6325.32, 0.0031784/step Wall: 6325.32, 0.0031784/step, 2.66456 hours remaining, 240.347656 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: 1982000 4024.7545 20387.5885 14432.6374 254.3078 -203390.1622 2795.2929 0.0000 0.0000 51854.9143 -109640.6668 298.0109 -161495.5811 -109281.9282 298.9001 0.8428 27.9416 762141.5023 -2.4570 -2.6020 PRESSURE: 1982200 -324.622 -11.8776 -93.6676 -11.8781 -238.254 -133.265 -93.6663 -133.265 -178.094 GPRESSURE: 1982200 -245.66 -37.4836 -52.5793 12.9204 -190.748 -86.6598 -61.3042 -144.023 -231.48 PRESSAVG: 1982200 -34.8964 29.7376 13.5085 29.7376 -10.2944 5.63165 13.5085 5.63168 12.4654 GPRESSAVG: 1982200 -35.9999 29.6519 13.7027 30.2291 -8.87468 5.50245 15.3429 3.11704 11.7493 TIMING: 1982200 CPU: 6325.96, 0.00317471/step Wall: 6325.96, 0.00317471/step, 2.66129 hours remaining, 240.347656 MB of memory in use. ENERGY: 1982200 4070.8591 20366.2077 14451.0629 248.0281 -202970.4325 2451.1818 0.0000 0.0000 51935.4829 -109447.6099 298.4739 -161383.0928 -109080.5864 298.9506 -246.9897 -222.6294 762420.8145 -10.9085 -11.0418 PRESSURE: 1982400 -369.461 23.3247 134.393 23.3246 101.742 -144.963 134.393 -144.963 147.655 GPRESSURE: 1982400 -328.93 81.713 98.6338 -7.08837 111.704 -187.227 114.116 18.5978 190.013 PRESSAVG: 1982400 3.7297 22.8364 -0.156981 22.8365 -10.2859 -0.849144 -0.156922 -0.849097 12.9957 GPRESSAVG: 1982400 4.57356 21.6931 -1.60177 22.2467 -11.3717 -1.13905 -1.05775 -2.60766 13.0196 TIMING: 1982400 CPU: 6326.59, 0.00316775/step Wall: 6326.59, 0.00316775/step, 2.65528 hours remaining, 240.347656 MB of memory in use. ENERGY: 1982400 4065.7283 20407.7854 14483.1246 260.1762 -203757.8399 2904.5599 0.0000 0.0000 51935.6364 -109700.8290 298.4748 -161636.4654 -109341.4035 298.6580 -40.0214 -9.0711 762245.7364 2.1465 2.0738 PRESSURE: 1982600 372.53 -201.672 246.385 -201.672 202.133 -31.0659 246.384 -31.0651 -137.706 GPRESSURE: 1982600 352.01 -125.446 295.941 -75.238 261.9 -59.4878 229.453 -125.673 -76.5459 PRESSAVG: 1982600 13.3293 6.31117 14.4383 6.31122 1.57866 5.10476 14.4383 5.1047 -15.8043 GPRESSAVG: 1982600 12.3377 7.83735 16.1942 6.56431 2.54672 6.46089 13.4686 4.61316 -15.8902 TIMING: 1982600 CPU: 6327.22, 0.00317588/step Wall: 6327.22, 0.00317588/step, 2.66192 hours remaining, 240.347656 MB of memory in use. ENERGY: 1982600 4034.0709 20450.0075 14471.0212 254.9842 -203157.8236 2469.1537 0.0000 0.0000 51788.6045 -109689.9817 297.6298 -161478.5862 -109323.1053 299.0691 145.6524 179.1212 761625.9379 -0.2988 -0.3353 PRESSURE: 1982800 -203.445 -79.3684 0.751675 -79.3687 -63.7072 -115.769 0.751481 -115.77 -34.5448 GPRESSURE: 1982800 -186.778 -108.075 -84.6164 -194.822 31.6825 -194.693 59.8429 -70.0791 -60.1096 PRESSAVG: 1982800 -47.5108 -33.0528 33.3048 -33.0528 56.4497 -16.6119 33.3048 -16.6119 -1.72674 GPRESSAVG: 1982800 -46.7695 -33.5363 33.0845 -30.9781 55.7849 -18.9449 36.493 -14.2927 -2.44045 TIMING: 1982800 CPU: 6327.86, 0.00316694/step Wall: 6327.86, 0.00316694/step, 2.65425 hours remaining, 240.347656 MB of memory in use. ENERGY: 1982800 4033.0485 20378.4704 14495.9431 244.3546 -203669.9348 2671.0217 0.0000 0.0000 52169.2069 -109677.8896 299.8171 -161847.0965 -109318.5514 298.4895 -100.5657 -71.7352 762472.0754 2.4041 2.1916 PRESSURE: 1983000 11.566 47.9261 -221.651 47.9261 198.317 -89.5028 -221.651 -89.5026 -262.595 GPRESSURE: 1983000 53.6019 -27.4888 -195.522 -16.1114 143.772 -4.92296 -239.548 104.086 -169.691 PRESSAVG: 1983000 -123.341 -6.77956 -1.25117 -6.77953 76.1773 -19.2118 -1.25122 -19.2119 7.63215 GPRESSAVG: 1983000 -123.932 -8.58115 -1.55271 -7.2174 76.3854 -18.7298 -1.45741 -17.954 8.03419 TIMING: 1983000 CPU: 6328.49, 0.0031417/step Wall: 6328.49, 0.0031417/step, 2.63292 hours remaining, 240.347656 MB of memory in use. ENERGY: 1983000 3999.6252 20399.1373 14486.9332 250.0333 -203255.0752 2713.4465 0.0000 0.0000 51874.8409 -109531.0586 298.1254 -161405.8996 -109180.0277 299.3119 -17.5705 9.2274 763760.9269 -13.1772 -13.1706 PRESSURE: 1983200 100.711 -59.1199 202.987 -59.1199 -146.301 213.226 202.988 213.226 -135.806 GPRESSURE: 1983200 29.0084 -101.301 266.124 -131.062 -76.8714 178.166 6.88648 274.801 -66.5728 PRESSAVG: 1983200 -6.13837 -4.79305 11.1831 -4.793 12.2507 27.3475 11.1831 27.3475 24.3691 GPRESSAVG: 1983200 -6.21476 -4.78257 9.83078 -7.81976 12.3553 27.1667 9.25806 27.3014 24.7116 TIMING: 1983200 CPU: 6329.12, 0.00316146/step Wall: 6329.12, 0.00316146/step, 2.6493 hours remaining, 240.347656 MB of memory in use. ENERGY: 1983200 3976.5658 20536.1759 14519.1020 234.9568 -203687.9975 2785.2674 0.0000 0.0000 52105.8666 -109530.0630 299.4531 -161635.9296 -109164.8210 298.7463 -60.4653 -38.1453 764237.8085 10.1605 10.2840 PRESSURE: 1983400 -103.06 132.199 -248.703 132.198 -49.4301 43.7417 -248.704 43.7408 -296.844 GPRESSURE: 1983400 -100.228 93.5371 -230.668 122.253 -92.4003 136 -193.08 24.9514 -181.162 PRESSAVG: 1983400 -20.1449 -50.1671 2.09831 -50.1671 41.877 28.3857 2.09831 28.3856 -19.0274 GPRESSAVG: 1983400 -19.6888 -48.6106 2.63502 -51.4522 41.817 28.897 4.19901 27.5179 -19.3754 TIMING: 1983400 CPU: 6329.75, 0.00316197/step Wall: 6329.75, 0.00316197/step, 2.64956 hours remaining, 240.347656 MB of memory in use. ENERGY: 1983400 3956.0697 20560.4986 14530.5085 260.4800 -203427.2876 2555.9809 0.0000 0.0000 52018.8699 -109544.8800 298.9532 -161563.7499 -109181.4740 298.9915 -149.7781 -124.5966 762108.9456 0.9016 0.9176 PRESSURE: 1983600 174.474 -219.315 -67.1296 -219.315 190.058 -137.305 -67.1304 -137.306 367.112 GPRESSURE: 1983600 277.407 -287.924 -63.3709 -211.545 187.17 -157.753 21.5941 -136.587 337.432 PRESSAVG: 1983600 -19.8027 -53.0833 -45.5885 -53.0832 10.3065 14.2523 -45.5885 14.2523 24.9505 GPRESSAVG: 1983600 -19.6986 -52.5596 -44.9585 -50.8678 9.76201 12.8649 -46.8975 12.7888 25.3537 TIMING: 1983600 CPU: 6330.38, 0.0031497/step Wall: 6330.38, 0.0031497/step, 2.6391 hours remaining, 240.347656 MB of memory in use. ENERGY: 1983600 4023.8312 20258.4501 14537.9153 236.3373 -203221.6106 2653.9920 0.0000 0.0000 51970.9023 -109540.1824 298.6775 -161511.0847 -109183.3678 298.8723 243.8812 267.3363 761511.3210 5.1514 5.1390 PRESSURE: 1983800 -513.123 124.688 64.1179 124.688 207.953 235.771 64.118 235.771 -167.267 GPRESSURE: 1983800 -400.97 118.113 22.6486 5.93478 246.689 240.055 25.7876 145.368 -257.844 PRESSAVG: 1983800 -40.5732 -29.0334 5.03483 -29.0334 0.21295 -41.3287 5.03482 -41.3287 14.1073 GPRESSAVG: 1983800 -41.1794 -29.8008 5.86512 -28.5405 -0.113357 -39.7368 4.69795 -39.9494 14.5052 TIMING: 1983800 CPU: 6331.01, 0.00314427/step Wall: 6331.01, 0.00314427/step, 2.63437 hours remaining, 240.347656 MB of memory in use. ENERGY: 1983800 3974.3186 20439.0369 14496.2054 249.9311 -203529.2640 2642.1811 0.0000 0.0000 52246.6342 -109480.9566 300.2621 -161727.5907 -109117.7952 298.7397 -157.4788 -137.3747 762133.6549 -8.7510 -8.9292 PRESSURE: 1984000 -85.7213 108.908 58.9594 108.907 69.1034 76.9622 58.9586 76.9623 -323.818 GPRESSURE: 1984000 -140.451 63.5259 35.6797 19.9016 120.451 178.79 27.571 -0.455807 -250.347 PRESSAVG: 1984000 -13.8763 -7.13618 16.0221 -7.13612 -19.5736 4.22189 16.0221 4.22186 -12.3017 GPRESSAVG: 1984000 -14.2068 -7.69674 14.6193 -6.41847 -18.9361 5.30437 17.1881 4.23285 -12.5626 TIMING: 1984000 CPU: 6331.64, 0.00315262/step Wall: 6331.64, 0.00315262/step, 2.64119 hours remaining, 240.347656 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: 1984000 3949.8262 20547.2633 14486.2272 250.7940 -202922.5990 2223.2235 0.0000 0.0000 52107.8148 -109357.4500 299.4643 -161465.2648 -108989.0698 299.0180 -113.4785 -90.1158 761282.7074 -15.2505 -15.2352 PRESSURE: 1984200 -123.566 149.587 136.078 149.586 3.83566 -40.1369 136.078 -40.1362 -17.3156 GPRESSURE: 1984200 -154.989 159.108 141.814 142.016 31.2004 11.8782 60.5592 -159.643 57.1254 PRESSAVG: 1984200 1.81113 19.7886 -44.1872 19.7885 37.3784 33.229 -44.1872 33.2289 -17.437 GPRESSAVG: 1984200 3.46981 20.165 -45.4007 18.0965 36.211 30.9678 -45.394 32.6821 -17.8341 TIMING: 1984200 CPU: 6332.28, 0.00318651/step Wall: 6332.28, 0.00318651/step, 2.66941 hours remaining, 240.347656 MB of memory in use. ENERGY: 1984200 3941.1245 20537.9377 14432.2282 254.1834 -203414.4958 2578.6582 0.0000 0.0000 52159.6917 -109510.6720 299.7625 -161670.3637 -109155.9150 299.3082 -45.6821 -22.2211 761511.3850 7.2508 7.2822 LDB: ============= START OF LOAD BALANCING ============== 6344.73 LDB: ============== END OF LOAD BALANCING =============== 6344.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6344.73 LDB: ============= START OF LOAD BALANCING ============== 6345.05 LDB: Largest compute 7024 load 0.036535 is 18.7% of average load 0.195165 LDB: Average compute 0.004397 is 2.3% of average load 0.195165 LDB: TIME 6345.05 LOAD: AVG 0.195165 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 6345.05 LOAD: AVG 0.195165 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 6345.05 LOAD: AVG 0.195165 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 6345.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6345.06 PRESSURE: 1984400 -10.3865 8.66154 168.315 8.66031 78.5068 -223.22 168.315 -223.221 -94.3003 GPRESSURE: 1984400 -2.47233 73.1752 258.778 -44.2179 90.9147 -119.333 214.23 -124.608 -38.4295 PRESSAVG: 1984400 18.7904 34.3964 38.5336 34.3964 -16.3919 4.58573 38.5336 4.58568 -0.821323 GPRESSAVG: 1984400 18.3947 33.7473 38.9507 35.4761 -14.6252 5.06541 38.6171 6.12407 -2.2254 TIMING: 1984400 CPU: 6332.93, 0.0032395/step Wall: 6332.93, 0.0032395/step, 2.71362 hours remaining, 241.378906 MB of memory in use. ENERGY: 1984400 4017.9239 20433.7946 14476.9485 249.0131 -202979.2740 2462.1110 0.0000 0.0000 51768.9520 -109570.5310 297.5169 -161339.4830 -109202.4917 298.5877 -8.7267 16.6709 761033.6401 0.5257 0.5147 PRESSURE: 1984600 88.5404 125.835 72.8919 125.836 -84.2686 95.5026 72.8914 95.5022 -133.589 GPRESSURE: 1984600 -7.16016 54.9456 75.2088 139.987 -25.3363 35.7618 16.7833 86.0838 -12.7264 PRESSAVG: 1984600 -16.6196 -14.4655 3.76458 -14.4656 44.1513 28.5852 3.76457 28.5852 1.14363 GPRESSAVG: 1984600 -16.4635 -15.4601 4.1148 -13.4485 43.2162 28.9317 5.94237 28.4191 1.96678 TIMING: 1984600 CPU: 6333.56, 0.00316014/step Wall: 6333.56, 0.00316015/step, 2.64697 hours remaining, 241.582031 MB of memory in use. ENERGY: 1984600 3987.4612 20375.4487 14520.1405 249.5292 -203451.8925 2518.9935 0.0000 0.0000 51979.7759 -109820.5435 298.7285 -161800.3194 -109464.3967 298.3494 -43.1058 -15.0743 761837.4099 9.5584 9.5732 PRESSURE: 1984800 -160.046 106.328 243.446 106.328 -289.777 -269.284 243.447 -269.282 -604.814 GPRESSURE: 1984800 -103.429 163.789 328.696 62.4874 -232.151 -328.798 241.792 -223.942 -609.428 PRESSAVG: 1984800 -34.5639 -13.326 24.6997 -13.326 18.7208 -68.1287 24.6996 -68.1287 -16.808 GPRESSAVG: 1984800 -35.1816 -11.0462 24.2047 -14.2599 19.3008 -68.8521 22.5451 -67.8324 -16.9069 TIMING: 1984800 CPU: 6334.19, 0.00317578/step Wall: 6334.19, 0.00317578/step, 2.65989 hours remaining, 241.582031 MB of memory in use. ENERGY: 1984800 3924.6223 20387.7834 14483.2320 231.1259 -203669.2627 2527.5612 0.0000 0.0000 52333.9300 -109781.0079 300.7638 -162114.9379 -109407.1867 298.6207 -351.5458 -315.0026 762790.6834 -10.8837 -10.9292 PRESSURE: 1985000 -135.475 212.695 9.51322 212.694 -294.349 -157.134 9.51463 -157.134 328.724 GPRESSURE: 1985000 -45.8762 145.848 131.37 219.594 -197.019 -187.19 110.632 68.8325 241.364 PRESSAVG: 1985000 -68.4209 23.9067 38.7714 23.9067 37.4712 1.09794 38.7714 1.09792 -3.50157 GPRESSAVG: 1985000 -67.9803 21.7346 39.4477 23.5442 37.0189 2.67144 38.0358 -0.543474 -4.06793 TIMING: 1985000 CPU: 6334.83, 0.00316201/step Wall: 6334.83, 0.00316201/step, 2.64818 hours remaining, 241.582031 MB of memory in use. ENERGY: 1985000 3907.6307 20382.2923 14418.5971 236.5826 -203187.3965 2305.1051 0.0000 0.0000 52093.9919 -109843.1968 299.3849 -161937.1886 -109480.9131 298.4649 -33.6999 -0.5105 760623.1192 -11.4837 -11.6764 PRESSURE: 1985200 158.335 74.6887 -188.943 74.6891 81.9729 -114.935 -188.944 -114.936 -148.759 GPRESSURE: 1985200 150.052 30.1083 -172.036 159.242 88.2931 -75.4586 -72.4742 -117.865 -100.454 PRESSAVG: 1985200 -25.4331 -21.8973 20.6023 -21.8972 15.1355 -14.2133 20.6023 -14.2134 17.3435 GPRESSAVG: 1985200 -24.7323 -22.1483 20.1518 -20.8059 14.1662 -11.5952 22.5273 -14.8262 16.8285 TIMING: 1985200 CPU: 6335.45, 0.00314315/step Wall: 6335.45, 0.00314315/step, 2.63221 hours remaining, 241.582031 MB of memory in use. ENERGY: 1985200 3895.5351 20494.2041 14438.3892 226.1141 -203679.1359 2865.4446 0.0000 0.0000 51811.8822 -109947.5666 297.7636 -161759.4488 -109582.8557 298.2395 30.5163 45.9637 760699.8585 2.3486 2.0875 PRESSURE: 1985400 62.0341 104.888 -42.4174 104.888 -66.1545 302.388 -42.4175 302.388 -88.1811 GPRESSURE: 1985400 61.6696 102.91 20.1807 -32.7978 -44.9906 200.938 62.0701 125.096 -15.6269 PRESSAVG: 1985400 14.8485 -14.1809 5.39335 -14.1809 28.0911 10.3065 5.3933 10.3064 -5.46654 GPRESSAVG: 1985400 13.4056 -13.1492 5.71041 -14.7736 27.5564 6.16344 4.83196 11.4472 -3.51957 TIMING: 1985400 CPU: 6336.08, 0.00314396/step Wall: 6336.08, 0.00314396/step, 2.63272 hours remaining, 241.582031 MB of memory in use. ENERGY: 1985400 3923.2165 20445.4402 14520.8565 257.9811 -203728.2201 2779.2510 0.0000 0.0000 52081.9190 -109719.5558 299.3155 -161801.4748 -109350.0423 297.8814 -30.7672 0.3507 759300.3131 12.4910 12.4808 PRESSURE: 1985600 319.47 -1.88191 -125.96 -1.88143 98.854 -149.604 -125.96 -149.604 371.203 GPRESSURE: 1985600 502.739 -0.112645 -104.858 -117.129 72.8981 -215.824 -70.8538 -106.209 314.384 PRESSAVG: 1985600 -48.6337 -35.8779 56.3184 -35.8778 25.3385 -20.9541 56.3184 -20.954 3.88394 GPRESSAVG: 1985600 -48.5822 -34.6547 55.0677 -36.6765 27.0371 -19.3672 58.4167 -19.4087 1.83651 TIMING: 1985600 CPU: 6336.72, 0.00317638/step Wall: 6336.72, 0.00317638/step, 2.65969 hours remaining, 241.582031 MB of memory in use. ENERGY: 1985600 3952.2722 20444.7992 14534.5394 239.6665 -203333.7008 2626.9608 0.0000 0.0000 51877.4580 -109658.0047 298.1405 -161535.4627 -109304.7510 298.6787 263.1757 296.6737 761045.4121 -6.4704 -6.5695 PRESSURE: 1985800 -248.021 -200.301 60.1924 -200.3 152.196 176.382 60.192 176.382 -659.873 GPRESSURE: 1985800 -186.582 -139.137 -4.08437 -141.587 95.7074 112.118 -47.02 95.2818 -585.423 PRESSAVG: 1985800 8.47482 -44.2674 21.0377 -44.2674 -5.59045 -27.1458 21.0377 -27.1458 -12.1253 GPRESSAVG: 1985800 7.95695 -44.67 23.9649 -44.0822 -6.55722 -29.0248 15.6498 -27.8872 -10.7954 TIMING: 1985800 CPU: 6337.35, 0.0031709/step Wall: 6337.35, 0.0031709/step, 2.65493 hours remaining, 241.582031 MB of memory in use. ENERGY: 1985800 3971.0856 20509.0543 14497.2350 237.2455 -203073.5996 2323.4617 0.0000 0.0000 51915.9488 -109619.5687 298.3617 -161535.5174 -109262.3580 299.0447 -251.8995 -225.4327 762359.0267 -3.0803 -3.1319 PRESSURE: 1986000 -285.709 -272.868 -254.295 -272.869 -232.532 -34.502 -254.295 -34.5029 -441.215 GPRESSURE: 1986000 -210.232 -73.0367 -344.287 -175.771 -241.373 -98.6486 -69.252 32.2498 -435.613 PRESSAVG: 1986000 -32.9207 -18.5181 -25.9052 -18.5181 12.3339 33.2073 -25.9052 33.2074 8.11239 GPRESSAVG: 1986000 -31.3938 -19.77 -28.1628 -19.5066 12.2434 34.6413 -20.5478 30.8997 6.70934 TIMING: 1986000 CPU: 6337.99, 0.00318421/step Wall: 6337.99, 0.00318421/step, 2.66589 hours remaining, 241.582031 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: 1986000 4070.3659 20548.5662 14461.1250 236.9751 -203169.0776 2423.6847 0.0000 0.0000 52060.2421 -109368.1186 299.1909 -161428.3607 -109003.8396 299.1167 -319.8186 -295.7392 762289.8608 -4.1581 -4.1470 PRESSURE: 1986200 35.4178 40.9134 50.8076 40.914 44.1868 18.4741 50.8073 18.4739 233.857 GPRESSURE: 1986200 152.834 112.439 24.5613 39.709 -9.37741 -37.9213 55.1107 54.2724 232.94 PRESSAVG: 1986200 -28.4411 -6.73409 1.18107 -6.73413 34.7523 18.7252 1.18096 18.7251 -8.18987 GPRESSAVG: 1986200 -29.0543 -6.33397 0.550028 -5.83649 33.8576 18.1612 -0.915921 22.3377 -7.11705 TIMING: 1986200 CPU: 6338.62, 0.00317667/step Wall: 6338.62, 0.00317667/step, 2.65941 hours remaining, 241.582031 MB of memory in use. ENERGY: 1986200 3974.0060 20424.5699 14443.8186 251.6843 -202843.5316 2297.0971 0.0000 0.0000 52001.0475 -109451.3082 298.8507 -161452.3556 -109088.4381 299.3200 104.4873 125.4655 762217.2937 -0.6262 -0.7713 PRESSURE: 1986400 -163.242 -12.6721 -57.6548 -12.672 -127.929 62.4661 -57.6555 62.4653 -99.2655 GPRESSURE: 1986400 -175.868 23.04 -77.4857 -55.6905 -63.9385 9.16609 -95.7618 39.0961 -94.9976 PRESSAVG: 1986400 -7.51192 -2.13421 -16.5319 -2.13421 -30.7764 13.1507 -16.5319 13.1508 11.0678 GPRESSAVG: 1986400 -8.15499 -2.3394 -15.4452 -2.37094 -29.7081 13.1957 -15.3744 12.2363 10.073 TIMING: 1986400 CPU: 6339.26, 0.00317601/step Wall: 6339.26, 0.00317601/step, 2.65867 hours remaining, 241.582031 MB of memory in use. ENERGY: 1986400 4047.7766 20533.3671 14522.0794 247.0200 -202931.9028 2392.6855 0.0000 0.0000 52031.4819 -109157.4923 299.0256 -161188.9742 -108804.1005 299.5333 -130.1452 -111.6015 763270.8057 -9.0735 -9.2634 PRESSURE: 1986600 309.624 162.756 -57.5901 162.756 -61.5497 50.2099 -57.5906 50.2108 -272.318 GPRESSURE: 1986600 401.352 149.238 -3.00011 120.927 -66.2924 160.153 -211.231 20.3594 -265.832 PRESSAVG: 1986600 -9.23936 -30.4828 18.0519 -30.4828 3.91085 -31.6793 18.0519 -31.6793 -9.38947 GPRESSAVG: 1986600 -9.41892 -28.4382 17.1033 -31.616 2.50967 -30.7783 16.5291 -34.115 -7.75884 TIMING: 1986600 CPU: 6339.89, 0.00317117/step Wall: 6339.89, 0.00317117/step, 2.65444 hours remaining, 241.582031 MB of memory in use. ENERGY: 1986600 4013.7683 20597.7512 14470.3582 230.1212 -203645.5080 2709.3236 0.0000 0.0000 52442.9656 -109181.2199 301.3904 -161624.1855 -108820.5625 300.3185 -8.0815 23.0760 761754.5693 -4.9060 -4.8894 PRESSURE: 1986800 260.658 -104.201 -71.1411 -104.2 235.927 -12.6354 -71.1411 -12.6365 251.108 GPRESSURE: 1986800 249.665 -82.2382 -93.7756 -102.696 310.307 -49.7698 37.4592 -46.3596 291.669 PRESSAVG: 1986800 17.8087 -2.47158 11.9658 -2.47164 33.9415 34.3975 11.9657 34.3975 -16.273 GPRESSAVG: 1986800 18.6196 -3.96554 11.6746 -1.55992 34.9738 34.2448 11.8581 36.4414 -18.1874 TIMING: 1986800 CPU: 6340.53, 0.00316091/step Wall: 6340.53, 0.00316091/step, 2.64568 hours remaining, 241.582031 MB of memory in use. ENERGY: 1986800 3953.3475 20347.2492 14556.5332 249.7391 -203680.0030 2827.7716 0.0000 0.0000 52516.1623 -109229.2001 301.8111 -161745.3624 -108857.2905 300.2692 249.2311 283.8802 760287.8143 11.8257 11.8020 PRESSURE: 1987000 34.0671 71.7867 34.4891 71.7871 -228.193 -40.2597 34.4886 -40.2602 -507.794 GPRESSURE: 1987000 -21.2788 90.7479 74.3882 12.689 -192.441 -58.0681 5.85466 5.78429 -398.44 PRESSAVG: 1987000 -5.28146 -25.2422 3.99003 -25.2422 27.8115 -13.1791 3.9901 -13.1791 -4.88769 GPRESSAVG: 1987000 -5.61656 -27.251 5.58341 -24.6394 27.5369 -14.1897 4.1063 -12.5127 -3.88759 TIMING: 1987000 CPU: 6341.16, 0.00315888/step Wall: 6341.16, 0.00315888/step, 2.64381 hours remaining, 241.582031 MB of memory in use. ENERGY: 1987000 3982.7401 20624.0543 14447.2762 241.5096 -202840.0875 2405.4944 0.0000 0.0000 51930.5063 -109208.5066 298.4453 -161139.0130 -108857.9154 299.4417 -233.9732 -204.0532 762604.3212 5.8808 6.0109 PRESSURE: 1987200 90.5291 61.5746 -0.594203 61.575 -45.4296 -246.932 -0.593901 -246.932 -62.8632 GPRESSURE: 1987200 71.5458 167.356 65.836 29.6103 11.2634 -134.628 -54.5629 -119.813 -36.6351 PRESSAVG: 1987200 -37.1308 -23.4841 -11.8069 -23.4841 43.48 -25.7626 -11.8069 -25.7626 -21.0501 GPRESSAVG: 1987200 -36.8675 -21.2674 -13.746 -23.9701 44.1614 -26.0885 -10.4025 -26.2968 -22.0322 TIMING: 1987200 CPU: 6341.79, 0.00316523/step Wall: 6341.79, 0.00316523/step, 2.64894 hours remaining, 241.582031 MB of memory in use. ENERGY: 1987200 3966.2909 20597.1771 14445.6474 254.4662 -203342.6756 2630.8690 0.0000 0.0000 52135.5611 -109312.6639 299.6238 -161448.2250 -108954.4377 299.4442 -5.9212 15.3914 761891.6922 -4.9003 -4.9128 PRESSURE: 1987400 -128.866 44.4489 204.511 44.4487 -186.16 93.468 204.511 93.4675 1.14689 GPRESSURE: 1987400 -122.209 76.2676 168.389 -26.7982 -127.653 150.662 119.579 -76.2687 29.6997 PRESSAVG: 1987400 -47.6684 -8.49596 24.4077 -8.49601 54.1251 -9.22536 24.4077 -9.22544 -15.8328 GPRESSAVG: 1987400 -47.7599 -6.48651 25.1197 -8.47692 53.8866 -7.08084 21.2481 -9.64763 -15.3713 TIMING: 1987400 CPU: 6342.42, 0.00315342/step Wall: 6342.42, 0.00315342/step, 2.63889 hours remaining, 241.582031 MB of memory in use. ENERGY: 1987400 3972.8926 20477.2830 14567.8873 250.0263 -203149.4060 2412.2654 0.0000 0.0000 52188.7946 -109280.2566 299.9297 -161469.0513 -108907.9035 299.5120 -104.6265 -73.3874 760974.2212 -3.1253 -3.0815 PRESSURE: 1987600 -131.169 156 82.6004 155.999 -78.1502 53.2574 82.6012 53.2576 583.517 GPRESSURE: 1987600 -25.9873 66.3569 175.462 192.324 -90.4753 -3.62514 152.069 85.4264 584.356 PRESSAVG: 1987600 -70.6252 -58.0062 -27.0484 -58.0061 63.165 -18.6396 -27.0484 -18.6396 -0.66718 GPRESSAVG: 1987600 -70.0185 -60.2969 -25.479 -57.5793 62.6227 -20.1831 -25.6377 -19.2567 -0.756195 TIMING: 1987600 CPU: 6343.06, 0.00317711/step Wall: 6343.06, 0.00317711/step, 2.65854 hours remaining, 241.582031 MB of memory in use. ENERGY: 1987600 3978.5834 20402.9249 14511.1089 245.0922 -202652.3098 2463.6183 0.0000 0.0000 51970.0257 -109080.9565 298.6725 -161050.9822 -108718.5119 299.6424 124.7328 155.9644 763311.7104 -2.7091 -2.7173 PRESSURE: 1987800 265.454 10.4651 -96.9753 10.4654 282.236 -52.6763 -96.9753 -52.6767 332.76 GPRESSURE: 1987800 293.453 117.8 -82.343 14.3682 264.231 -49.1574 -58.4676 45.3786 428.045 PRESSAVG: 1987800 -69.5274 11.3387 -18.5246 11.3386 61.1086 -11.1903 -18.5247 -11.1903 -5.85726 GPRESSAVG: 1987800 -68.8746 12.5187 -17.6473 12.9577 60.9991 -11.5293 -19.0724 -10.086 -5.9061 TIMING: 1987800 CPU: 6343.69, 0.00315736/step Wall: 6343.69, 0.00315737/step, 2.64184 hours remaining, 241.582031 MB of memory in use. ENERGY: 1987800 3971.0805 20599.2135 14457.1229 238.4141 -203510.0534 2882.6664 0.0000 0.0000 52214.2369 -109147.3190 300.0759 -161361.5559 -108781.3664 299.7990 293.4832 328.5764 762244.2677 -4.7587 -4.5939 PRESSURE: 1988000 -172.004 134.647 28.941 134.648 -149.042 -106.665 28.9407 -106.666 -311.636 GPRESSURE: 1988000 -142.87 31.2768 59.839 171.01 -70.2523 -101.762 -97.7347 -106.283 -330.922 PRESSAVG: 1988000 -10.1955 -11.9584 0.950564 -11.9584 21.2989 -35.6311 0.950646 -35.6311 28.6436 GPRESSAVG: 1988000 -11.2302 -12.1027 -0.700106 -13.9069 22.7953 -33.7131 0.936484 -34.7041 28.3555 TIMING: 1988000 CPU: 6344.32, 0.0031612/step Wall: 6344.32, 0.0031612/step, 2.64487 hours remaining, 241.582031 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: 1988000 3951.8586 20324.6376 14463.2339 244.3500 -202749.6761 2174.2135 0.0000 0.0000 52359.1645 -109232.2180 300.9088 -161591.3825 -108861.7488 300.1670 -210.8941 -181.3480 762804.7155 13.2490 13.3069 PRESSURE: 1988200 297.567 138.129 27.8075 138.129 349.045 -310.535 27.8079 -310.537 441.858 GPRESSURE: 1988200 297.352 53.6542 76.0648 42.0002 396.489 -315.302 -23.4652 -255.758 468.179 PRESSAVG: 1988200 2.19908 -53.1865 7.56191 -53.1865 -22.6144 -10.2753 7.56186 -10.2753 -15.5762 GPRESSAVG: 1988200 2.79981 -54.4963 7.63895 -52.7355 -23.1697 -11.0755 7.51725 -12.452 -15.9951 TIMING: 1988200 CPU: 6344.95, 0.00315879/step Wall: 6344.95, 0.00315879/step, 2.64268 hours remaining, 241.582031 MB of memory in use. ENERGY: 1988200 4013.1974 20613.1606 14516.5082 262.8535 -203503.2588 3017.1056 0.0000 0.0000 51900.4698 -109179.9637 298.2727 -161080.4335 -108827.6527 299.2750 362.8233 387.3403 761379.1120 -11.9972 -12.1216 LDB: ============= START OF LOAD BALANCING ============== 6357.4 LDB: ============== END OF LOAD BALANCING =============== 6357.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6357.41 LDB: ============= START OF LOAD BALANCING ============== 6357.72 LDB: Largest compute 7071 load 0.034066 is 17.5% of average load 0.195163 LDB: Average compute 0.004389 is 2.2% of average load 0.195163 LDB: TIME 6357.73 LOAD: AVG 0.195163 MAX 0.215399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 6357.73 LOAD: AVG 0.195163 MAX 0.215399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 6357.73 LOAD: AVG 0.195163 MAX 0.215399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 6357.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6357.74 PRESSURE: 1988400 7.71001 -75.7198 -23.9987 -75.7192 6.03514 49.7262 -23.9983 49.7251 -236.188 GPRESSURE: 1988400 -61.4029 16.0889 -39.8921 -130.287 69.7591 71.514 56.2596 -14.5813 -162.67 PRESSAVG: 1988400 -32.2329 9.75157 35.1731 9.7515 57.2135 -1.86491 35.1732 -1.86481 -1.30656 GPRESSAVG: 1988400 -31.8436 9.99978 35.042 11.6272 55.7492 -1.03452 36.2212 0.900886 -0.3222 TIMING: 1988400 CPU: 6345.6, 0.003235/step Wall: 6345.6, 0.003235/step, 2.70626 hours remaining, 240.664062 MB of memory in use. ENERGY: 1988400 3984.0482 20607.7608 14415.9846 256.1500 -203151.9762 2570.1571 0.0000 0.0000 52040.4341 -109277.4414 299.0771 -161317.8755 -108911.0706 299.4858 -74.1475 -51.4381 762731.5151 7.8913 7.8611 PRESSURE: 1988600 -248.965 -158.12 124.598 -158.121 362.399 -88.3835 124.599 -88.3837 244.95 GPRESSURE: 1988600 -93.5183 -226.208 33.9957 -92.1595 304.725 -173.978 145.082 -74.3578 238.291 PRESSAVG: 1988600 -20.6846 -33.9443 37.0636 -33.9443 40.1815 24.1291 37.0636 24.1292 -27.2987 GPRESSAVG: 1988600 -20.3288 -32.8974 37.6896 -35.5134 39.2806 22.7292 37.729 20.78 -26.599 TIMING: 1988600 CPU: 6346.23, 0.00317294/step Wall: 6346.23, 0.00317294/step, 2.65416 hours remaining, 240.867188 MB of memory in use. ENERGY: 1988600 4024.2912 20472.3038 14482.6131 249.5346 -202914.7414 2440.0833 0.0000 0.0000 52111.7500 -109134.1654 299.4869 -161245.9154 -108775.5762 299.2745 119.4613 149.8328 763672.7582 -2.6006 -2.5491 PRESSURE: 1988800 -184.215 52.8713 82.1957 52.8709 -105.368 -22.2975 82.1955 -22.2973 197.874 GPRESSURE: 1988800 -112.63 28.5936 67.1667 -69.7633 -68.2757 -7.65086 61.9435 -79.5571 175.458 PRESSAVG: 1988800 39.4695 -65.1389 50.4784 -65.1389 -11.9472 -34.1974 50.4784 -34.1973 -13.7465 GPRESSAVG: 1988800 41.2055 -66.0799 50.7052 -65.739 -12.4148 -33.8384 49.6597 -32.6328 -14.963 TIMING: 1988800 CPU: 6346.87, 0.00316453/step Wall: 6346.87, 0.00316453/step, 2.64695 hours remaining, 240.867188 MB of memory in use. ENERGY: 1988800 4094.7989 20311.0337 14460.2623 255.1506 -202975.9140 2573.8089 0.0000 0.0000 52034.7425 -109246.1172 299.0444 -161280.8596 -108885.2484 299.3796 -30.5695 -1.8160 762688.6396 4.5919 4.6092 PRESSURE: 1989000 18.3067 -165.268 29.9518 -165.268 117.539 -287.672 29.9507 -287.671 306.016 GPRESSURE: 1989000 78.6107 -125.088 4.23608 -198.325 175.477 -269.282 77.6066 -333.413 301.275 PRESSAVG: 1989000 12.7361 -7.2167 -26.1674 -7.21666 -1.58649 -52.193 -26.1674 -52.1929 -22.2361 GPRESSAVG: 1989000 9.57597 -7.85809 -26.4376 -6.25457 0.674505 -51.7349 -25.0989 -53.7436 -21.3436 TIMING: 1989000 CPU: 6347.5, 0.00316478/step Wall: 6347.5, 0.00316478/step, 2.64699 hours remaining, 240.867188 MB of memory in use. ENERGY: 1989000 4008.4032 20419.3926 14408.6935 253.4586 -203033.2448 2515.2801 0.0000 0.0000 52018.1058 -109409.9110 298.9488 -161428.0168 -109047.4292 299.1127 147.2873 185.1209 762123.5677 -3.6955 -3.6977 PRESSURE: 1989200 155.924 153.244 114.686 153.243 25.8985 -102.115 114.687 -102.116 354.305 GPRESSURE: 1989200 143.378 118.88 172.742 136.531 73.4573 -39.8882 -56.7309 -38.9209 399.074 PRESSAVG: 1989200 39.761 18.9338 -6.08377 18.9339 -36.5713 21.5929 -6.08377 21.5929 -11.9452 GPRESSAVG: 1989200 40.9797 19.2592 -6.1139 18.058 -36.5775 20.8969 -8.89937 23.6537 -13.0573 TIMING: 1989200 CPU: 6348.13, 0.00316451/step Wall: 6348.13, 0.00316451/step, 2.64659 hours remaining, 240.867188 MB of memory in use. ENERGY: 1989200 3903.3533 20447.0671 14403.9343 239.6926 -203177.3614 2647.9611 0.0000 0.0000 52016.4780 -109518.8751 298.9394 -161535.3530 -109154.7273 298.4136 178.7092 205.3032 763023.1965 -2.9185 -2.8850 PRESSURE: 1989400 -217.698 -39.1126 -143.84 -39.1127 -528.462 -30.5292 -143.841 -30.5295 -573.354 GPRESSURE: 1989400 -224.398 0.422046 -202.157 -61.8233 -463.829 -11.3728 -60.9444 -93.9196 -535.545 PRESSAVG: 1989400 -21.9232 19.322 -5.3981 19.322 23.5705 -7.74527 -5.39806 -7.74517 -3.35289 GPRESSAVG: 1989400 -21.4824 19.355 -5.25165 20.62 22.4244 -7.0915 -3.89209 -7.21241 -2.43772 TIMING: 1989400 CPU: 6348.76, 0.00315942/step Wall: 6348.76, 0.00315942/step, 2.64215 hours remaining, 240.867188 MB of memory in use. ENERGY: 1989400 3971.9128 20420.0755 14365.7114 265.3696 -202911.0150 2149.7430 0.0000 0.0000 52386.5313 -109351.6714 301.0661 -161738.2027 -108980.0779 299.2238 -439.8379 -407.9243 763259.5615 -0.5685 -0.4986 PRESSURE: 1989600 -230 -37.4437 93.408 -37.4448 48.9059 138.366 93.4082 138.367 -34.0618 GPRESSURE: 1989600 -197.8 -86.9815 155.324 -76.5203 123.589 88.5818 99.3004 115.464 -46.2603 PRESSAVG: 1989600 36.3382 -24.8951 29.0054 -24.8952 -40.8624 37.8521 29.0054 37.8521 8.25723 GPRESSAVG: 1989600 37.2985 -24.4799 29.0892 -27.7433 -40.2917 37.1897 28.2893 38.1826 6.71313 TIMING: 1989600 CPU: 6349.39, 0.00315115/step Wall: 6349.39, 0.00315115/step, 2.63506 hours remaining, 240.867188 MB of memory in use. ENERGY: 1989600 3956.4743 20612.5410 14481.9423 229.4556 -203566.1845 2668.4248 0.0000 0.0000 52175.3219 -109442.0245 299.8523 -161617.3465 -109084.4624 299.3804 -71.7185 -40.1571 762245.3980 1.2443 1.2400 PRESSURE: 1989800 57.2446 -4.32025 165.656 -4.3204 53.7918 -157.934 165.656 -157.935 -34.5265 GPRESSURE: 1989800 46.1826 -145.849 164.944 103.198 39.3345 -112.738 137.438 -227.259 87.9442 PRESSAVG: 1989800 -30.7768 -14.6909 13.3131 -14.6909 19.5026 47.4682 13.3132 47.4682 -15.1372 GPRESSAVG: 1989800 -32.1785 -17.1919 13.2507 -10.8479 19.3828 48.4735 12.9321 47.6837 -13.6084 TIMING: 1989800 CPU: 6350.03, 0.00315177/step Wall: 6350.03, 0.00315177/step, 2.63541 hours remaining, 240.867188 MB of memory in use. ENERGY: 1989800 3975.3131 20343.6420 14421.8470 232.3899 -203367.9252 2573.3942 0.0000 0.0000 52135.2073 -109686.1318 299.6218 -161821.3390 -109324.3297 299.0861 25.5033 57.8204 761014.6450 -8.8038 -8.8014 PRESSURE: 1990000 81.5931 -104.927 -118.03 -104.928 83.7256 -165.581 -118.03 -165.583 249.185 GPRESSURE: 1990000 237.508 -133.673 -100.302 -102.209 47.1969 -216.101 -84.1849 -189.498 210.574 PRESSAVG: 1990000 -2.70107 2.84247 3.29643 2.84247 15.9277 15.0056 3.29642 15.0056 6.15554 GPRESSAVG: 1990000 -1.55998 6.33351 3.52289 0.0123425 15.4736 15.1137 2.71537 12.5265 5.15287 TIMING: 1990000 CPU: 6350.66, 0.00316235/step Wall: 6350.66, 0.00316235/step, 2.64408 hours remaining, 240.867188 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: 1990000 3880.7184 20269.7897 14383.9803 243.1483 -203383.9236 2795.6064 0.0000 0.0000 51936.8026 -109873.8779 298.4815 -161810.6805 -109511.1539 298.3820 138.1678 165.0930 760571.8038 6.4607 6.3555 PRESSURE: 1990200 209.264 -35.536 151.79 -35.5369 -107.728 175.137 151.791 175.138 -128.672 GPRESSURE: 1990200 183.332 51.2344 92.1935 36.4868 -113.528 196.406 226.042 204 -19.3738 PRESSAVG: 1990200 4.59299 -30.6728 -6.16475 -30.6728 45.0487 53.0904 -6.16474 53.0903 -2.03745 GPRESSAVG: 1990200 4.10678 -32.1211 -6.02645 -31.6632 45.1912 51.578 -4.97797 54.5117 -2.07382 TIMING: 1990200 CPU: 6351.29, 0.0031482/step Wall: 6351.29, 0.0031482/step, 2.63207 hours remaining, 240.867188 MB of memory in use. ENERGY: 1990200 4023.5937 20382.6787 14389.6737 236.2766 -203389.6472 2695.4218 0.0000 0.0000 51917.3378 -109744.6648 298.3697 -161662.0026 -109382.7015 298.4953 -9.0451 16.8102 762232.0822 15.8681 15.7414 PRESSURE: 1990400 -56.1974 142.182 -95.6879 142.183 329.47 -78.4709 -95.688 -78.472 286.251 GPRESSURE: 1990400 -41.9373 48.9826 -91.5708 198.414 382.886 -56.3338 -72.6513 -53.6745 303.299 PRESSAVG: 1990400 40.6466 -31.9977 32.2011 -31.9977 -4.80755 -2.88112 32.2011 -2.88117 6.87316 GPRESSAVG: 1990400 40.4525 -32.8476 32.7192 -30.1067 -4.12819 -2.37085 33.2621 -2.42973 6.57769 TIMING: 1990400 CPU: 6351.92, 0.00316729/step Wall: 6351.92, 0.00316729/step, 2.64786 hours remaining, 240.867188 MB of memory in use. ENERGY: 1990400 3886.6854 20552.9475 14373.1295 247.3875 -203361.0671 2781.7308 0.0000 0.0000 51816.4704 -109702.7161 297.7900 -161519.1865 -109348.2351 298.4386 186.5079 214.7490 760873.2610 14.2374 14.3007 PRESSURE: 1990600 269.106 67.7505 95.4104 67.7508 85.2307 -34.7548 95.4106 -34.7569 112.955 GPRESSURE: 1990600 346.271 9.42655 111.932 105.733 106.685 51.6778 149.674 -80.1331 92.4158 PRESSAVG: 1990600 -24.1776 -33.421 12.9969 -33.421 -17.5522 27.7338 12.9969 27.7337 2.3849 GPRESSAVG: 1990600 -23.7008 -32.2719 11.5124 -33.3366 -18.3121 28.5084 13.622 27.7231 3.16814 TIMING: 1990600 CPU: 6352.55, 0.00313846/step Wall: 6352.55, 0.00313846/step, 2.62358 hours remaining, 240.867188 MB of memory in use. ENERGY: 1990600 3931.7832 20388.5334 14364.0910 255.1827 -203738.9268 2885.1260 0.0000 0.0000 52216.8750 -109697.3354 300.0911 -161914.2104 -109326.2930 298.5599 155.7640 181.7907 760762.0591 -13.1150 -12.9483 PRESSURE: 1990800 -7.01162 17.7382 -172.656 17.7382 209.6 -126.045 -172.657 -126.043 72.346 GPRESSURE: 1990800 43.1601 -44.0002 -139.634 -91.8195 192.834 -166.494 -170.698 -94.135 118.45 PRESSAVG: 1990800 30.6814 -11.3265 22.0635 -11.3265 -24.0894 38.2189 22.0636 38.2189 28.6764 GPRESSAVG: 1990800 30.1231 -13.7757 23.6523 -12.066 -23.4062 36.3047 18.3279 38.2585 28.5493 TIMING: 1990800 CPU: 6353.18, 0.00314265/step Wall: 6353.18, 0.00314265/step, 2.6269 hours remaining, 240.867188 MB of memory in use. ENERGY: 1990800 4050.7407 20481.3314 14468.7723 248.4703 -203905.3483 2709.3137 0.0000 0.0000 52055.5322 -109891.1877 299.1639 -161946.7199 -109539.3476 298.8812 91.6450 118.1481 759938.5253 11.7561 11.7554 PRESSURE: 1991000 -175.497 19.68 -109.923 19.6798 -182.486 -41.2629 -109.923 -41.2623 61.0677 GPRESSURE: 1991000 -108.117 -26.0207 -167.881 83.6915 -110.468 -21.985 -243.752 71.8412 -12.9043 PRESSAVG: 1991000 -21.1469 12.7231 34.7887 12.7231 20.3074 6.80381 34.7887 6.80373 8.32566 GPRESSAVG: 1991000 -21.6359 14.6717 33.3849 11.7432 20.6042 8.04347 36.2273 7.76733 8.75184 TIMING: 1991000 CPU: 6353.8, 0.00313/step Wall: 6353.8, 0.00313/step, 2.61616 hours remaining, 240.867188 MB of memory in use. ENERGY: 1991000 4003.4389 20367.2076 14489.0718 234.6606 -203751.0378 2570.1977 0.0000 0.0000 52049.3270 -110037.1341 299.1282 -162086.4612 -109683.8045 298.3527 -98.9717 -77.1631 761557.0412 2.4954 2.5734 PRESSURE: 1991200 -154.613 -2.27545 215.764 -2.27414 123.941 -26.145 215.763 -26.1445 114.371 GPRESSURE: 1991200 -127.8 -20.5442 255.351 -131.164 171.089 -59.9488 194.032 -118.194 122.704 PRESSAVG: 1991200 -49.5778 -28.1883 10.9333 -28.1883 41.5553 -12.4259 10.9334 -12.4259 -21.7848 GPRESSAVG: 1991200 -50.0628 -27.3405 11.0108 -29.6524 41.8802 -12.1643 10.9934 -13.0596 -22.0665 TIMING: 1991200 CPU: 6354.44, 0.0031602/step Wall: 6354.44, 0.0031602/step, 2.64122 hours remaining, 240.867188 MB of memory in use. ENERGY: 1991200 4042.7251 20529.4372 14440.0233 244.9438 -204056.8334 2597.5022 0.0000 0.0000 52136.8851 -110065.3167 299.6314 -162202.2018 -109694.7155 298.1648 27.8994 55.3314 760139.3306 -9.9357 -10.0830 PRESSURE: 1991400 248.792 124.324 -132.339 124.323 135.306 25.7563 -132.339 25.7566 392.254 GPRESSURE: 1991400 268.706 128.792 -121.893 136.338 217.166 99.5085 -92.2439 -48.3958 379.08 PRESSAVG: 1991400 21.2244 -37.7211 23.2518 -37.7212 -1.57003 -0.00382458 23.2518 -0.00380085 -7.28963 GPRESSAVG: 1991400 21.9945 -37.3042 22.983 -37.0094 -1.27322 0.0134524 23.058 -0.64093 -8.22014 TIMING: 1991400 CPU: 6355.07, 0.00315299/step Wall: 6355.07, 0.00315298/step, 2.63502 hours remaining, 240.867188 MB of memory in use. ENERGY: 1991400 3923.8148 20286.8102 14562.0464 217.8839 -203532.2689 2601.1212 0.0000 0.0000 51788.6097 -110151.9828 297.6299 -161940.5925 -109792.1309 297.8525 258.7837 288.3175 760705.8186 4.1216 4.1670 PRESSURE: 1991600 -72.6344 172.723 -52.7758 172.723 135.798 280.381 -52.7751 280.381 13.0123 GPRESSURE: 1991600 13.0292 124.978 -90.1112 29.9497 113.448 257.085 7.20005 219.796 43.8704 PRESSAVG: 1991600 34.9615 18.7462 -9.57493 18.7462 -26.9917 11.6454 -9.5749 11.6454 -22.9893 GPRESSAVG: 1991600 33.7809 17.9607 -7.21124 20.7782 -27.4161 10.7212 -9.29609 11.733 -21.7452 TIMING: 1991600 CPU: 6355.7, 0.0031648/step Wall: 6355.7, 0.0031648/step, 2.64472 hours remaining, 240.867188 MB of memory in use. ENERGY: 1991600 3961.6985 20524.3263 14428.7192 231.2587 -203845.2773 2830.1482 0.0000 0.0000 51853.9828 -110015.1437 298.0056 -161869.1265 -109654.5628 297.3974 25.3920 56.7824 761449.6780 -5.0065 -5.1268 PRESSURE: 1991800 155.917 -48.8125 54.9892 -48.8126 -133.28 140.81 54.9885 140.809 172.973 GPRESSURE: 1991800 113.281 23.8188 116.867 -47.8837 -45.1802 103.251 -35.9593 102.586 206.489 PRESSAVG: 1991800 10.5698 -36.2394 -7.08336 -36.2394 -17.1197 80.4613 -7.08335 80.4612 13.0233 GPRESSAVG: 1991800 10.8888 -36.83 -9.74746 -35.7088 -17.3699 80.08 -6.25149 79.3073 12.3813 TIMING: 1991800 CPU: 6356.33, 0.00314725/step Wall: 6356.33, 0.00314725/step, 2.62988 hours remaining, 240.867188 MB of memory in use. ENERGY: 1991800 3984.0269 20545.3343 14454.4044 249.5497 -203503.9623 2566.5121 0.0000 0.0000 51823.1415 -109880.9935 297.8283 -161704.1349 -109524.5891 298.2826 65.2032 91.5301 763810.0424 2.1578 1.9667 PRESSURE: 1992000 -96.7237 71.8508 -108.79 71.8516 112.829 126.113 -108.791 126.114 -11.9374 GPRESSURE: 1992000 -32.0909 34.4208 -128.378 27.1901 142.943 114.149 -142.291 142.883 -27.3319 PRESSAVG: 1992000 -31.8253 -18.8327 -8.92792 -18.8327 -7.58401 34.4377 -8.92789 34.4377 11.0387 GPRESSAVG: 1992000 -30.917 -16.4653 -8.01502 -20.797 -6.53736 35.7746 -10.7262 36.6952 9.25558 TIMING: 1992000 CPU: 6356.96, 0.00315334/step Wall: 6356.96, 0.00315334/step, 2.63479 hours remaining, 240.867188 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: 1992000 3988.5703 20535.0729 14464.2400 241.3041 -203705.3608 2750.4692 0.0000 0.0000 51952.2048 -109773.4994 298.5700 -161725.7043 -109411.8700 298.6355 1.3892 27.8402 762486.4142 -9.4569 -9.3996 PRESSURE: 1992200 240.233 -171.358 -34.7781 -171.358 94.1981 -181.507 -34.7778 -181.508 57.4119 GPRESSURE: 1992200 233.216 -125.676 -72.3315 -148.168 150.137 -259.849 -70.0214 -151.56 106.066 PRESSAVG: 1992200 -45.2972 -42.4628 -52.5883 -42.4627 69.3171 -21.298 -52.5883 -21.298 -31.1033 GPRESSAVG: 1992200 -47.2517 -43.0507 -52.2228 -40.1733 69.6196 -20.6772 -52.5769 -21.7059 -29.5569 TIMING: 1992200 CPU: 6357.59, 0.00315769/step Wall: 6357.59, 0.00315769/step, 2.63825 hours remaining, 240.867188 MB of memory in use. ENERGY: 1992200 3961.5650 20514.0455 14405.7792 245.1551 -203897.7611 2997.4068 0.0000 0.0000 51955.5997 -109818.2099 298.5895 -161773.8096 -109444.2377 298.5780 130.6143 163.1397 762577.4126 -2.3611 -2.3963 LDB: ============= START OF LOAD BALANCING ============== 6370.04 LDB: ============== END OF LOAD BALANCING =============== 6370.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6370.04 LDB: ============= START OF LOAD BALANCING ============== 6370.36 LDB: Largest compute 7071 load 0.036488 is 18.7% of average load 0.195207 LDB: Average compute 0.004373 is 2.2% of average load 0.195207 LDB: TIME 6370.36 LOAD: AVG 0.195207 MAX 0.215449 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 6370.36 LOAD: AVG 0.195207 MAX 0.215449 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 6370.36 LOAD: AVG 0.195207 MAX 0.215449 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 6370.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6370.37 PRESSURE: 1992400 -56.017 -158.048 -249.201 -158.048 152.383 1.64553 -249.202 1.64449 398.92 GPRESSURE: 1992400 155.571 -170.029 -263.942 -251.559 142.989 85.7934 -235.625 49.2355 283.095 PRESSAVG: 1992400 8.2591 14.1417 -63.1172 14.1418 47.848 -25.1266 -63.1172 -25.1266 -0.537344 GPRESSAVG: 1992400 9.27355 13.965 -62.1149 13.8141 46.7258 -26.8228 -63.2451 -24.2588 -0.750116 TIMING: 1992400 CPU: 6358.23, 0.00322151/step Wall: 6358.23, 0.00322151/step, 2.69139 hours remaining, 241.437500 MB of memory in use. ENERGY: 1992400 4057.7790 20495.4328 14391.0002 243.0780 -203872.0273 2861.8088 0.0000 0.0000 51993.5089 -109829.4196 298.8074 -161822.9285 -109465.5306 299.0164 165.0955 193.8850 760068.7652 18.5232 18.4164 PRESSURE: 1992600 -56.1271 28.4415 -62.9269 28.4419 -148.428 30.5334 -62.9267 30.5335 -138.406 GPRESSURE: 1992600 -127.157 96.3322 -54.769 -46.898 -68.1597 48.7643 -147.104 -24.0015 -57.2027 PRESSAVG: 1992600 -41.5771 -27.0048 28.3217 -27.0048 48.0334 11.2572 28.3217 11.2572 -17.9198 GPRESSAVG: 1992600 -42.0041 -28.8099 27.7805 -27.609 47.6968 10.2313 30.0291 10.925 -16.7885 TIMING: 1992600 CPU: 6358.87, 0.00317191/step Wall: 6358.87, 0.00317191/step, 2.64978 hours remaining, 241.437500 MB of memory in use. ENERGY: 1992600 3898.4860 20697.9978 14406.1962 221.5911 -203140.3877 2331.2340 0.0000 0.0000 51802.6202 -109782.2624 297.7104 -161584.8826 -109422.8900 298.7405 -114.3204 -84.1732 761576.7796 -3.8212 -3.6986 PRESSURE: 1992800 -15.5762 -24.3956 -57.0945 -24.3964 -59.348 -242.602 -57.0952 -242.604 20.53 GPRESSURE: 1992800 21.4771 11.0891 -55.038 40.0452 -41.8531 -229.392 -47.5469 -191.207 61.0695 PRESSAVG: 1992800 -12.1581 -30.3629 4.16958 -30.363 17.1155 -16.8648 4.16954 -16.8648 -13.3014 GPRESSAVG: 1992800 -10.5941 -27.4963 4.46198 -31.8506 16.0022 -16.9746 4.03923 -16.3807 -14.2028 TIMING: 1992800 CPU: 6359.51, 0.00318728/step Wall: 6359.51, 0.00318728/step, 2.66244 hours remaining, 241.437500 MB of memory in use. ENERGY: 1992800 3895.9886 20518.0860 14453.1504 225.8803 -203528.7179 2458.7905 0.0000 0.0000 52049.8452 -109926.9769 299.1312 -161976.8222 -109574.9513 297.9805 -18.1314 13.5645 760575.7754 -2.7813 -2.9316 PRESSURE: 1993000 -34.1683 -99.289 -35.2066 -99.2897 54.3805 -171.978 -35.2063 -171.977 -225.846 GPRESSURE: 1993000 82.1287 -8.72611 2.94426 -97.7523 8.43238 -92.3447 8.02547 -233.468 -226.435 PRESSAVG: 1993000 9.50157 -68.7404 34.1267 -68.7404 31.4388 -4.4358 34.1267 -4.43577 4.61267 GPRESSAVG: 1993000 8.6752 -69.9244 34.1041 -67.8167 33.4653 -2.93204 34.8323 -4.75262 3.09155 TIMING: 1993000 CPU: 6360.14, 0.0031783/step Wall: 6360.14, 0.0031783/step, 2.65477 hours remaining, 241.437500 MB of memory in use. ENERGY: 1993000 4038.9936 20498.5853 14407.7977 252.8448 -203471.7238 2491.7772 0.0000 0.0000 51928.3694 -109853.3557 298.4331 -161781.7251 -109485.7290 298.7779 -68.5447 -45.2912 760523.4384 15.1843 15.0774 PRESSURE: 1993200 341.647 41.9683 34.6609 41.9677 -40.5656 -51.692 34.6612 -51.6902 311.03 GPRESSURE: 1993200 328.578 52.9958 116.204 -1.17188 84.9721 116.047 64.6882 15.9971 286.846 PRESSAVG: 1993200 -21.2897 -37.8719 11.895 -37.8719 35.8801 37.47 11.8951 37.47 -20.4317 GPRESSAVG: 1993200 -21.9386 -38.9149 11.1202 -37.2075 35.0658 38.5657 9.35055 36.2184 -19.4287 TIMING: 1993200 CPU: 6360.77, 0.00315276/step Wall: 6360.77, 0.00315276/step, 2.63326 hours remaining, 241.437500 MB of memory in use. ENERGY: 1993200 3903.2497 20493.1553 14386.1322 245.6485 -203883.3661 2915.0363 0.0000 0.0000 52015.0816 -109925.0626 298.9314 -161940.1442 -109564.1237 298.4388 204.0369 233.4653 760427.1791 -1.9471 -2.1005 PRESSURE: 1993400 -244.566 71.2258 -301.375 71.2257 -323.582 -133.284 -301.376 -133.285 23.5958 GPRESSURE: 1993400 -168.261 28.0442 -282.835 53.5436 -272.497 -218.627 -212.72 -2.91231 -3.0975 PRESSAVG: 1993400 44.1666 -48.637 -2.36686 -48.6371 -54.7433 -43.1122 -2.36684 -43.1122 -7.7339 GPRESSAVG: 1993400 44.4018 -47.6472 -2.98537 -48.9727 -54.8497 -44.0772 -1.6631 -40.0629 -7.27731 TIMING: 1993400 CPU: 6361.41, 0.00317013/step Wall: 6361.41, 0.00317013/step, 2.64759 hours remaining, 241.437500 MB of memory in use. ENERGY: 1993400 4035.6897 20350.6998 14485.7631 267.7581 -203893.5620 2582.5573 0.0000 0.0000 52114.6317 -110056.4623 299.5035 -162171.0940 -109691.2769 298.2409 -181.5175 -147.9518 761246.7579 -6.1035 -5.9084 PRESSURE: 1993600 -37.7962 -13.9398 -20.1882 -13.9399 -201.436 24.7606 -20.1882 24.7607 267.739 GPRESSURE: 1993600 9.39757 74.8303 32.1536 71.316 -134.765 -32.1616 -26.153 -55.2025 237.961 PRESSAVG: 1993600 11.971 -54.2884 -5.74924 -54.2884 2.64236 -21.6891 -5.7492 -21.6891 25.9858 GPRESSAVG: 1993600 12.1158 -54.7834 -4.11892 -54.7255 1.92349 -22.1254 -4.13884 -23.2035 26.3073 TIMING: 1993600 CPU: 6362.04, 0.00316575/step Wall: 6362.04, 0.00316575/step, 2.64375 hours remaining, 241.437500 MB of memory in use. ENERGY: 1993600 3964.4551 20467.6650 14453.0178 238.1669 -204047.7658 2995.1887 0.0000 0.0000 52010.9439 -109918.3284 298.9076 -161929.2723 -109550.2878 298.3506 9.5024 37.5311 761565.9948 13.5331 13.4489 PRESSURE: 1993800 61.6296 -20.4083 130.269 -20.4076 1.37608 211.9 130.269 211.901 -89.7956 GPRESSURE: 1993800 102.716 -85.4429 161.842 -20.8516 56.0947 172.006 100.144 174.853 -116.566 PRESSAVG: 1993800 -5.48503 -5.8067 0.626486 -5.80663 3.49068 -1.03832 0.626446 -1.0383 -2.60189 GPRESSAVG: 1993800 -5.82241 -8.23046 0.0897098 -5.02716 3.56632 -1.15963 -1.36296 -3.10752 -2.90405 TIMING: 1993800 CPU: 6362.67, 0.00317229/step Wall: 6362.67, 0.00317229/step, 2.64904 hours remaining, 241.437500 MB of memory in use. ENERGY: 1993800 3978.1926 20331.6808 14535.2376 263.2105 -203623.8366 2593.7595 0.0000 0.0000 52071.9770 -109849.7787 299.2584 -161921.7557 -109488.7091 298.6579 -8.9300 14.0814 761143.5031 -1.5321 -1.7200 PRESSURE: 1994000 21.5523 -41.6391 23.8449 -41.6389 -109.998 -190.477 23.8447 -190.477 -440.837 GPRESSURE: 1994000 42.6022 14.3415 13.7665 92.864 -72.5787 -200.469 60.0009 -180.805 -400.762 PRESSAVG: 1994000 1.41235 -30.6824 -12.4715 -30.6825 -10.0987 -81.1612 -12.4716 -81.1613 -22.7088 GPRESSAVG: 1994000 0.822666 -29.0974 -12.9346 -31.8723 -10.332 -81.3403 -12.5798 -80.7497 -21.7927 TIMING: 1994000 CPU: 6363.31, 0.00317308/step Wall: 6363.31, 0.00317308/step, 2.64952 hours remaining, 241.437500 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: 1994000 3972.2408 20581.2790 14447.8862 250.3690 -203391.3749 2594.4026 0.0000 0.0000 51829.2746 -109715.9227 297.8636 -161545.1973 -109372.8814 298.5517 -176.4275 -143.5795 761524.3608 -10.4651 -10.4340 PRESSURE: 1994200 -147.741 -51.3902 -78.868 -51.3895 -191.377 14.4687 -78.8668 14.4701 -388.513 GPRESSURE: 1994200 -130.356 -182.905 -45.9742 31.2509 -153.691 -83.8506 -7.48136 54.4797 -366.74 PRESSAVG: 1994200 24.9229 -75.9105 35.0959 -75.9105 -11.0724 -38.7929 35.0959 -38.7929 5.4413 GPRESSAVG: 1994200 25.0143 -75.0405 33.8071 -73.7682 -10.5088 -38.6716 37.5868 -38.4787 5.01018 TIMING: 1994200 CPU: 6363.94, 0.00317711/step Wall: 6363.94, 0.00317711/step, 2.65271 hours remaining, 241.437500 MB of memory in use. ENERGY: 1994200 4013.3175 20437.7171 14451.6349 254.3741 -203468.8039 2676.5270 0.0000 0.0000 51896.3545 -109738.8787 298.2491 -161635.2332 -109388.7111 298.6366 -242.5436 -216.9290 762522.2063 6.4306 6.5052 PRESSURE: 1994400 -252.123 -86.2277 -170.392 -86.2273 135.361 -48.2062 -170.391 -48.2064 71.4717 GPRESSURE: 1994400 -227.146 -24.1914 -93.2231 -210.258 181.913 -115.619 -161.446 -33.8333 93.9189 PRESSAVG: 1994400 -47.4894 -59.3601 39.9273 -59.3601 -12.3786 -17.368 39.9273 -17.368 -1.66554 GPRESSAVG: 1994400 -46.7898 -58.3763 42.3213 -62.303 -12.2331 -17.5219 38.9316 -17.1216 -3.05069 TIMING: 1994400 CPU: 6364.57, 0.00314552/step Wall: 6364.57, 0.00314552/step, 2.62616 hours remaining, 241.437500 MB of memory in use. ENERGY: 1994400 4037.2539 20584.3019 14523.5169 236.8854 -203495.9891 2533.3286 0.0000 0.0000 51811.4757 -109769.2266 297.7613 -161580.7023 -109416.7155 299.0974 -15.0968 16.2288 758474.4069 -20.5112 -20.6912 PRESSURE: 1994600 -122.934 -277.982 28.9605 -277.982 40.5771 179.66 28.9596 179.662 15.3884 GPRESSURE: 1994600 -55.5094 -247.124 14.8405 -299.195 27.4782 153.721 -40.9567 56.6843 59.7282 PRESSAVG: 1994600 24.8405 -92.0034 33.7854 -92.0034 -33.2151 -13.8264 33.7854 -13.8264 -19.0996 GPRESSAVG: 1994600 24.3758 -94.2481 33.7993 -90.2093 -34.5075 -12.3986 32.0346 -14.0699 -16.8706 TIMING: 1994600 CPU: 6365.21, 0.0031607/step Wall: 6365.21, 0.0031607/step, 2.63866 hours remaining, 241.437500 MB of memory in use. ENERGY: 1994600 4038.1818 20423.6065 14416.9115 248.0533 -203333.8412 2335.8946 0.0000 0.0000 52022.3259 -109848.8675 298.9730 -161871.1934 -109488.3248 298.7206 -22.3230 10.5656 759685.4809 -9.1581 -9.0008 PRESSURE: 1994800 91.8948 -300.846 -178.638 -300.846 -208.074 -50.2304 -178.637 -50.2299 101.23 GPRESSURE: 1994800 136.048 -213.976 -231.498 -243.372 -92.2423 -116.885 -195.876 -72.4722 28.9221 PRESSAVG: 1994800 40.5728 -18.0365 12.3154 -18.0365 -36.2972 -40.5914 12.3154 -40.5914 14.3051 GPRESSAVG: 1994800 42.5208 -17.323 11.9809 -18.6232 -36.9052 -40.0047 12.8983 -41.6217 13.4945 TIMING: 1994800 CPU: 6365.84, 0.00317151/step Wall: 6365.84, 0.00317151/step, 2.64751 hours remaining, 241.437500 MB of memory in use. ENERGY: 1994800 4000.9384 20522.3529 14405.1904 251.3187 -203038.0443 2249.5034 0.0000 0.0000 51837.8842 -109770.8562 297.9130 -161608.7404 -109411.3242 299.1692 -4.9830 24.2425 760101.5080 6.1936 6.3700 PRESSURE: 1995000 48.1473 -118.7 202.445 -118.701 176.175 329.086 202.445 329.087 -12.2051 GPRESSURE: 1995000 35.4448 -113.817 186.145 -93.8594 231.705 405.884 224.371 228.351 36.3332 PRESSAVG: 1995000 -22.1055 -47.1899 34.3691 -47.1899 17.8374 -7.95325 34.3691 -7.95331 17.3702 GPRESSAVG: 1995000 -23.315 -45.955 34.9461 -46.4037 19.8373 -8.6108 34.3256 -9.5605 16.4386 TIMING: 1995000 CPU: 6366.47, 0.00317487/step Wall: 6366.47, 0.00317487/step, 2.65014 hours remaining, 241.437500 MB of memory in use. ENERGY: 1995000 3949.9963 20662.1165 14460.8479 272.7425 -203388.9133 2454.2806 0.0000 0.0000 51921.1445 -109667.7850 298.3915 -161588.9295 -109314.8271 298.6956 70.7058 101.1609 760958.4152 4.3674 4.3203 PRESSURE: 1995200 -202.624 -96.0694 -78.5631 -96.0705 -326.142 -48.0482 -78.5627 -48.0495 161.392 GPRESSURE: 1995200 -208.35 -13.7061 20.2592 -145.641 -151.573 -14.7743 64.7714 58.482 77.7053 PRESSAVG: 1995200 56.6151 -55.7403 67.3714 -55.7404 -75.7277 5.77986 67.3714 5.77983 23.2674 GPRESSAVG: 1995200 56.0561 -56.746 66.8536 -54.9033 -76.1826 6.04729 68.4895 7.64404 24.3158 TIMING: 1995200 CPU: 6367.11, 0.00315103/step Wall: 6367.11, 0.00315103/step, 2.63006 hours remaining, 241.437500 MB of memory in use. ENERGY: 1995200 4037.7080 20374.4678 14453.9535 240.0270 -203404.5051 2591.1901 0.0000 0.0000 52056.8299 -109650.3288 299.1713 -161707.1587 -109292.8577 298.8189 -122.4578 -94.0727 760955.4944 1.3849 1.3964 PRESSURE: 1995400 78.6469 13.5069 -66.7593 13.5071 69.8428 172.007 -66.7584 172.007 653.66 GPRESSURE: 1995400 39.0972 46.6808 -30.5538 -114.632 108.74 220.673 135.51 27.2977 730.436 PRESSAVG: 1995400 5.21172 -49.047 7.28181 -49.0469 9.71389 17.9288 7.28184 17.9289 -1.02111 GPRESSAVG: 1995400 6.4941 -48.5857 6.22918 -50.7409 9.55616 15.5711 7.85712 19.5315 -2.20544 TIMING: 1995400 CPU: 6367.74, 0.00316744/step Wall: 6367.74, 0.00316744/step, 2.64358 hours remaining, 241.437500 MB of memory in use. ENERGY: 1995400 3911.9170 20513.4661 14406.6249 243.5477 -203566.0887 2854.8100 0.0000 0.0000 51853.8971 -109781.8259 298.0051 -161635.7230 -109424.9232 298.3412 267.3833 292.7578 762263.8672 4.6348 4.6149 PRESSURE: 1995600 147.462 -80.2471 19.1627 -80.2464 -22.1263 -112.228 19.1628 -112.229 179.644 GPRESSURE: 1995600 155.985 -55.7098 9.3257 -21.9624 36.4782 -56.2131 -49.1586 -98.5052 204.032 PRESSAVG: 1995600 32.9579 -46.0609 -50.8901 -46.0608 7.70125 23.5888 -50.8901 23.5888 4.26825 GPRESSAVG: 1995600 33.3198 -46.0624 -49.5862 -46.018 7.45545 26.7676 -51.3741 21.1925 4.82824 TIMING: 1995600 CPU: 6368.37, 0.00317271/step Wall: 6368.37, 0.00317271/step, 2.6478 hours remaining, 241.437500 MB of memory in use. ENERGY: 1995600 4045.7779 20248.3149 14343.1256 250.0903 -203402.1172 2603.9743 0.0000 0.0000 52107.4225 -109803.4116 299.4621 -161910.8341 -109432.9214 298.7595 101.6598 132.1650 762774.5903 14.9758 15.2012 PRESSURE: 1995800 -38.9774 74.4796 15.9156 74.4801 -105.955 148.364 15.9159 148.363 247.998 GPRESSURE: 1995800 -53.5965 46.7026 -21.7209 -45.4235 5.66717 122.419 -18.1612 109.496 218.314 PRESSAVG: 1995800 -29.7712 -39.5861 6.85007 -39.5861 44.3282 10.8638 6.85009 10.8638 -6.72792 GPRESSAVG: 1995800 -30.5751 -39.813 4.66261 -39.1974 45.6459 8.72247 7.78141 12.1579 -7.1842 TIMING: 1995800 CPU: 6369, 0.00315663/step Wall: 6369, 0.00315663/step, 2.63421 hours remaining, 241.437500 MB of memory in use. ENERGY: 1995800 4018.9525 20404.3523 14409.0733 248.8601 -203712.8002 2793.0119 0.0000 0.0000 51953.5335 -109885.0166 298.5777 -161838.5500 -109533.4572 298.3685 34.3552 56.7948 761676.6517 2.6097 2.6289 PRESSURE: 1996000 -65.3993 57.8849 -221.155 57.8854 30.4836 27.3012 -221.155 27.3012 -358.254 GPRESSURE: 1996000 -83.3443 -12.9328 -115.956 117.524 66.5002 -10.4436 -68.366 -29.6222 -287.016 PRESSAVG: 1996000 -29.9864 -27.1351 -34.3806 -27.1351 25.2835 47.1984 -34.3806 47.1985 15.9672 GPRESSAVG: 1996000 -29.5969 -27.877 -33.0499 -27.6888 24.7663 46.3164 -35.3428 47.9192 16.087 TIMING: 1996000 CPU: 6369.63, 0.00313312/step Wall: 6369.63, 0.00313312/step, 2.61442 hours remaining, 241.437500 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: 1996000 3905.5146 20351.0145 14376.3199 241.3221 -203287.1661 2642.6668 0.0000 0.0000 51805.5172 -109964.8110 297.7270 -161770.3281 -109602.5508 298.1784 -131.0567 -101.2867 764799.1391 3.7547 3.7521 PRESSURE: 1996200 -19.909 -6.0116 -208.706 -6.01153 156.117 105.057 -208.707 105.057 315.664 GPRESSURE: 1996200 157.275 10.5169 -200.951 -94.4759 103.668 182.101 -243.943 102.04 258.796 PRESSAVG: 1996200 10.2516 -66.9992 -16.0796 -66.9992 25.6035 -1.20947 -16.0796 -1.20935 -3.43078 GPRESSAVG: 1996200 11.4528 -66.7751 -16.703 -69.0903 25.4536 2.21508 -16.6774 -2.10429 -4.09899 TIMING: 1996200 CPU: 6370.26, 0.00316099/step Wall: 6370.26, 0.00316099/step, 2.63749 hours remaining, 241.437500 MB of memory in use. ENERGY: 1996200 3957.3207 20273.2145 14377.5766 275.1536 -204180.9322 3209.7353 0.0000 0.0000 51823.1963 -110264.7352 297.8286 -162087.9315 -109903.6612 298.3187 150.6241 173.2462 760955.9761 10.8081 10.9358 LDB: ============= START OF LOAD BALANCING ============== 6382.72 LDB: ============== END OF LOAD BALANCING =============== 6382.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6382.72 LDB: ============= START OF LOAD BALANCING ============== 6383.03 LDB: Largest compute 7074 load 0.036425 is 18.7% of average load 0.195160 LDB: Average compute 0.004390 is 2.2% of average load 0.195160 LDB: TIME 6383.04 LOAD: AVG 0.19516 MAX 0.216315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.75 MB LDB: TIME 6383.04 LOAD: AVG 0.19516 MAX 0.216315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.914 MB LDB: TIME 6383.04 LOAD: AVG 0.19516 MAX 0.216315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.914 MB LDB: ============== END OF LOAD BALANCING =============== 6383.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.04 PRESSURE: 1996400 24.7745 -81.6464 -179.387 -81.6466 -123.532 82.5716 -179.387 82.5699 85.9282 GPRESSURE: 1996400 22.5643 -75.7299 -84.4992 -24.7835 -6.1774 115.477 -187.296 95.8478 47.1488 PRESSAVG: 1996400 -19.5259 -18.2043 1.91408 -18.2043 11.5489 24.8142 1.91406 24.8142 -13.2781 GPRESSAVG: 1996400 -19.9383 -17.5107 2.81802 -17.1968 10.6377 22.7877 1.83896 26.2588 -11.8738 TIMING: 1996400 CPU: 6370.91, 0.00322992/step Wall: 6370.91, 0.00322992/step, 2.69483 hours remaining, 241.488281 MB of memory in use. ENERGY: 1996400 3959.2163 20360.6431 14399.2136 256.4325 -204036.1819 2754.6352 0.0000 0.0000 52098.3987 -110207.6425 299.4102 -162306.0413 -109848.6584 297.9483 -4.2765 21.1786 761150.4817 -7.0850 -7.0581 PRESSURE: 1996600 -207.801 20.1696 -157.21 20.1694 -182.197 146.256 -157.21 146.256 -44.058 GPRESSURE: 1996600 -195.061 -78.5488 -186.643 120.824 -174.251 36.9524 -49.7003 260.654 32.9931 PRESSAVG: 1996600 -44.4815 16.1022 -13.3569 16.1022 28.0051 2.59221 -13.357 2.59226 39.9241 GPRESSAVG: 1996600 -45.9026 14.6694 -15.273 17.0904 28.7888 3.74641 -10.8301 -1.45942 40.553 TIMING: 1996600 CPU: 6371.54, 0.00312886/step Wall: 6371.54, 0.00312886/step, 2.61034 hours remaining, 241.488281 MB of memory in use. ENERGY: 1996600 4018.2493 20403.1000 14426.6774 258.2425 -203392.8591 2462.3069 0.0000 0.0000 51725.9021 -110098.3809 297.2695 -161824.2830 -109736.6344 297.7851 -144.6855 -112.1062 761160.9415 7.8159 7.8130 PRESSURE: 1996800 14.2354 -112.702 -26.3987 -112.702 -834.138 -239.153 -26.3988 -239.153 -122.697 GPRESSURE: 1996800 70.4564 9.54439 12.9464 -8.37935 -722.743 -297.537 -132.239 -188.947 -198.123 PRESSAVG: 1996800 56.7824 -11.6263 22.0774 -11.6263 -25.5558 8.96532 22.0774 8.96531 -18.3068 GPRESSAVG: 1996800 58.6493 -12.7923 23.1046 -9.17457 -26.7656 8.14892 22.1922 12.502 -19.145 TIMING: 1996800 CPU: 6372.16, 0.00314003/step Wall: 6372.16, 0.00314003/step, 2.61949 hours remaining, 241.488281 MB of memory in use. ENERGY: 1996800 3970.7788 20426.8448 14373.9636 244.8166 -202952.1384 2210.5969 0.0000 0.0000 51880.0487 -109845.0891 298.1554 -161725.1378 -109491.0092 298.1406 -314.2000 -283.4701 761845.0980 4.3066 4.2462 PRESSURE: 1997000 -117.465 30.5778 132.474 30.5782 14.4349 125.788 132.473 125.788 254.771 GPRESSURE: 1997000 -90.4699 64.4247 125.254 10.8437 128.483 111.727 4.43244 95.6345 208.787 PRESSAVG: 1997000 36.3991 -20.3662 27.4777 -20.3662 -12.1805 -21.2407 27.4778 -21.2407 29.1696 GPRESSAVG: 1997000 35.7129 -17.7262 27.044 -21.9058 -10.8097 -19.9339 23.6605 -22.2431 28.3007 TIMING: 1997000 CPU: 6372.79, 0.00315852/step Wall: 6372.79, 0.00315852/step, 2.63473 hours remaining, 241.488281 MB of memory in use. ENERGY: 1997000 4012.8727 20480.2231 14419.4332 262.2718 -203445.8334 2599.2756 0.0000 0.0000 51993.1030 -109678.6539 298.8051 -161671.7569 -109326.0872 298.9430 50.5803 82.2669 762242.4741 17.7961 17.7346 PRESSURE: 1997200 -439.73 -139.343 -23.3774 -139.343 -386.682 168.734 -23.378 168.733 246.152 GPRESSURE: 1997200 -354.492 -138.763 10.1777 12.9837 -357.665 185.628 84.7195 133.798 232.048 PRESSAVG: 1997200 -24.957 -23.7584 -2.34884 -23.7584 -21.9745 20.387 -2.34885 20.387 -3.35087 GPRESSAVG: 1997200 -25.416 -26.4947 -2.47443 -24.1879 -22.3255 18.8221 0.607429 19.116 -2.65581 TIMING: 1997200 CPU: 6373.43, 0.00317479/step Wall: 6373.43, 0.00317479/step, 2.64813 hours remaining, 241.488281 MB of memory in use. ENERGY: 1997200 3977.6996 20497.8397 14405.3739 238.9308 -203668.9431 2684.7227 0.0000 0.0000 52275.8533 -109588.5230 300.4300 -161864.3763 -109225.9196 299.2745 -193.4198 -160.0363 760682.5365 -16.7608 -16.7991 PRESSURE: 1997400 -92.9281 -33.3878 -122.943 -33.3878 -25.3437 -252.927 -122.943 -252.929 -237.412 GPRESSURE: 1997400 9.21587 -51.3837 -162.287 -79.1174 -8.04788 -132.159 56.0213 -64.6363 -265.01 PRESSAVG: 1997400 16.987 -42.146 16.3395 -42.1459 -44.5134 -19.882 16.3396 -19.882 13.5159 GPRESSAVG: 1997400 16.8659 -40.1172 18.0233 -42.3089 -44.6912 -20.3084 15.3807 -18.313 14.0386 TIMING: 1997400 CPU: 6374.06, 0.00317546/step Wall: 6374.06, 0.00317546/step, 2.64851 hours remaining, 241.488281 MB of memory in use. ENERGY: 1997400 4018.2311 20517.8414 14420.8819 254.2137 -203600.7530 2656.5631 0.0000 0.0000 52049.5856 -109683.4362 299.1297 -161733.0218 -109324.8590 299.0205 -118.5614 -87.9472 759762.1513 -4.6702 -4.5955 PRESSURE: 1997600 111.896 -37.5404 25.0454 -37.5398 184.382 40.2428 25.0459 40.243 244.11 GPRESSURE: 1997600 167.513 -62.1362 10.3565 -33.5154 229.785 138.385 33.7417 -46.2174 223.06 PRESSAVG: 1997600 -52.6271 -25.65 17.6758 -25.65 64.7931 -18.2525 17.6758 -18.2524 1.83995 GPRESSAVG: 1997600 -51.6558 -24.9953 17.3836 -26.5511 63.6345 -17.284 17.8891 -20.4749 2.13896 TIMING: 1997600 CPU: 6374.7, 0.00317141/step Wall: 6374.7, 0.00317141/step, 2.64496 hours remaining, 241.488281 MB of memory in use. ENERGY: 1997600 3938.0091 20476.4182 14435.6802 245.6159 -203625.8463 2648.7924 0.0000 0.0000 52046.4908 -109834.8397 299.1119 -161881.3305 -109477.9194 299.1028 180.1295 206.7860 760473.1025 4.6687 4.7059 PRESSURE: 1997800 78.6514 -8.66792 -148.378 -8.66824 -363.179 151.264 -148.379 151.264 89.6138 GPRESSURE: 1997800 171.49 -73.2077 -133.175 19.5571 -306.356 195.549 -53.095 155.442 -10.769 PRESSAVG: 1997800 62.6863 -48.7353 10.1226 -48.7353 -21.2026 27.1763 10.1226 27.1761 15.3536 GPRESSAVG: 1997800 62.8059 -50.01 9.81558 -47.2336 -20.0722 27.1186 9.48513 27.7777 14.1998 TIMING: 1997800 CPU: 6375.33, 0.00314673/step Wall: 6375.33, 0.00314673/step, 2.6242 hours remaining, 241.488281 MB of memory in use. ENERGY: 1997800 3903.8765 20547.3434 14406.0637 242.5743 -203532.8980 2478.9993 0.0000 0.0000 52071.8548 -109882.1861 299.2577 -161954.0409 -109530.7899 298.5497 -64.9712 -48.5449 759567.8279 18.9458 18.9779 PRESSURE: 1998000 171.636 -37.7666 -192.167 -37.767 137.297 -51.8937 -192.167 -51.893 66.0084 GPRESSURE: 1998000 229.406 4.99047 -234.596 -68.0777 109.425 -46.8287 -161.409 -216.394 128.298 PRESSAVG: 1998000 36.31 -36.3793 -6.26597 -36.3793 -20.9047 31.9591 -6.26599 31.9591 0.551879 GPRESSAVG: 1998000 35.4853 -38.3737 -5.03461 -35.1336 -22.1774 33.8726 -6.71722 30.0647 2.54153 TIMING: 1998000 CPU: 6375.96, 0.00314824/step Wall: 6375.96, 0.00314824/step, 2.62529 hours remaining, 241.488281 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: 1998000 3952.4843 20418.8492 14455.6276 251.8649 -203355.9966 2375.3192 0.0000 0.0000 52002.9003 -109898.9512 298.8614 -161901.8514 -109532.6909 298.4165 124.9805 155.7099 758629.8269 5.3191 5.2831 PRESSURE: 1998200 181.268 -101.813 -121.383 -101.812 -161.254 -99.9168 -121.381 -99.9159 120.006 GPRESSURE: 1998200 121.912 -152.112 -180.243 -74.1021 13.6407 -90.5449 -148.327 -27.951 87.6943 PRESSAVG: 1998200 -35.8065 -27.6367 40.8087 -27.6367 0.395499 -0.694271 40.8087 -0.694253 -2.26136 GPRESSAVG: 1998200 -36.2823 -23.3437 39.6622 -29.1736 1.75466 -1.16283 39.9018 1.79152 -2.89299 TIMING: 1998200 CPU: 6376.59, 0.00314716/step Wall: 6376.59, 0.00314716/step, 2.6242 hours remaining, 241.488281 MB of memory in use. ENERGY: 1998200 3985.3329 20525.4347 14432.3906 230.9502 -203945.5516 2852.7014 0.0000 0.0000 51877.6419 -110041.0998 298.1415 -161918.7417 -109679.1871 298.5985 46.6738 74.4158 760419.1024 -12.5575 -12.4736 PRESSURE: 1998400 228.407 -159.633 89.6358 -159.632 133.781 -163.174 89.6363 -163.173 159.609 GPRESSURE: 1998400 219.941 -95.3855 67.2852 -111.47 222.495 -185.115 164.181 -80.1805 149.064 PRESSAVG: 1998400 -21.7037 -97.0044 21.4751 -97.0045 27.114 39.6144 21.4751 39.6144 -15.959 GPRESSAVG: 1998400 -20.6839 -98.3166 22.1516 -97.3834 27.0389 37.8514 22.434 39.2527 -16.9333 TIMING: 1998400 CPU: 6377.22, 0.00316294/step Wall: 6377.22, 0.00316294/step, 2.63719 hours remaining, 241.488281 MB of memory in use. ENERGY: 1998400 4011.7230 20551.9941 14456.4311 254.9111 -203830.1982 2687.8561 0.0000 0.0000 51865.2749 -110002.0078 298.0704 -161867.2827 -109639.3343 298.4393 173.9326 197.1671 761031.8539 -3.5163 -3.5261 PRESSURE: 1998600 -168.909 -60.5291 -36.6428 -60.5298 404.87 38.0306 -36.6418 38.0309 -2.16094 GPRESSURE: 1998600 -90.5178 -207.001 -38.7742 -41.6901 372.64 26.5372 54.8487 -31.3114 37.6847 PRESSAVG: 1998600 43.8925 -52.8654 -37.3388 -52.8654 -58.311 -12.8307 -37.3388 -12.8307 -0.770188 GPRESSAVG: 1998600 44.784 -54.04 -37.5736 -52.0755 -59.4985 -12.5876 -36.5228 -14.3781 -0.933919 TIMING: 1998600 CPU: 6377.86, 0.00318767/step Wall: 6377.86, 0.00318767/step, 2.65763 hours remaining, 241.488281 MB of memory in use. ENERGY: 1998600 3960.1697 20458.1234 14473.5701 239.2880 -203909.7780 2898.6128 0.0000 0.0000 51789.2559 -110090.7581 297.6336 -161880.0141 -109744.2120 298.1461 77.9334 106.6023 759921.5591 -5.0629 -5.2161 PRESSURE: 1998800 -32.7612 30.1884 -129.833 30.1881 -95.4588 -55.6422 -129.833 -55.6418 293.204 GPRESSURE: 1998800 106.744 110.29 -109.029 93.4089 -108.771 -49.7373 -151.75 10.9705 257.034 PRESSAVG: 1998800 15.5222 -33.1061 -31.3432 -33.106 -10.2367 22.2914 -31.3432 22.2913 26.8775 GPRESSAVG: 1998800 14.9797 -32.1945 -30.9966 -31.6607 -11.0459 23.0489 -31.9721 21.8085 28.2486 TIMING: 1998800 CPU: 6378.49, 0.00317806/step Wall: 6378.49, 0.00317806/step, 2.64944 hours remaining, 241.488281 MB of memory in use. ENERGY: 1998800 3998.9536 20554.5413 14446.5601 232.1512 -203919.4201 2711.4735 0.0000 0.0000 51776.7948 -110198.9455 297.5620 -161975.7403 -109843.0400 298.1298 54.9947 85.0024 759527.5328 10.7210 10.7275 PRESSURE: 1999000 147.531 -91.1609 -132.37 -91.1603 -282.82 73.3131 -132.37 73.312 -234.196 GPRESSURE: 1999000 104.661 -97.8961 -208.886 -140.219 -229.7 28.2784 -145.586 138.872 -166.965 PRESSAVG: 1999000 15.3112 -25.0923 15.7878 -25.0923 5.62131 12.8962 15.7877 12.8963 14.8852 GPRESSAVG: 1999000 15.3289 -27.4427 16.1192 -25.1267 7.31689 11.6592 16.2525 16.253 13.6913 TIMING: 1999000 CPU: 6379.13, 0.00318344/step Wall: 6379.13, 0.00318344/step, 2.65375 hours remaining, 241.488281 MB of memory in use. ENERGY: 1999000 4007.8532 20353.0689 14409.2537 241.4094 -203784.6192 2435.0661 0.0000 0.0000 52140.8909 -110197.0768 299.6544 -162337.9678 -109829.7033 298.8585 -123.1618 -97.3344 761214.4766 11.9392 12.1124 PRESSURE: 1999200 70.2599 119.651 -163.367 119.65 -178.606 -26.3153 -163.367 -26.3167 -48.2135 GPRESSURE: 1999200 86.4277 4.83329 -72.4611 112.141 -201.343 -12.0097 -67.579 -4.81804 46.6453 PRESSAVG: 1999200 -23.7458 -39.7254 1.30089 -39.7254 39.4164 10.0989 1.30093 10.0989 7.82817 GPRESSAVG: 1999200 -24.6937 -39.0568 1.11073 -39.2979 39.8774 9.92571 0.27159 6.10231 8.48316 TIMING: 1999200 CPU: 6379.77, 0.00320164/step Wall: 6379.77, 0.00320164/step, 2.66875 hours remaining, 241.488281 MB of memory in use. ENERGY: 1999200 4016.9560 20516.1913 14476.4740 246.8118 -203759.1336 2261.7825 0.0000 0.0000 51769.7302 -110471.1877 297.5214 -162240.9179 -110117.9104 298.0741 -52.1866 -22.7567 757828.1551 7.8329 7.8890 PRESSURE: 1999400 -31.0568 -17.6254 172.652 -17.6249 461.544 126.173 172.653 126.174 462.966 GPRESSURE: 1999400 53.5435 50.5628 158.112 -14.797 471.564 122.817 190.33 252.919 455.137 PRESSAVG: 1999400 -13.7481 -0.155707 -20.8991 -0.155732 15.7967 -19.8637 -20.8992 -19.8636 12.1265 GPRESSAVG: 1999400 -13.569 3.31882 -22.5433 -0.863983 15.0177 -19.0058 -18.2908 -17.0814 12.5906 TIMING: 1999400 CPU: 6380.41, 0.00319482/step Wall: 6380.41, 0.00319482/step, 2.66288 hours remaining, 241.488281 MB of memory in use. ENERGY: 1999400 3944.3288 20452.2764 14413.7760 223.6414 -204147.8101 2623.2341 0.0000 0.0000 51994.6726 -110495.8808 298.8141 -162490.5534 -110132.5387 297.7117 297.8178 326.7481 757457.8909 4.7250 4.6798 PRESSURE: 1999600 -201.899 -138.099 210.518 -138.098 -8.95157 -53.6201 210.517 -53.6201 87.8414 GPRESSURE: 1999600 -204.03 -124.111 137.613 -184.779 15.8429 -81.8046 129.306 -108.649 142.943 PRESSAVG: 1999600 -32.1873 -5.62222 -18.8485 -5.62222 52.8041 -31.6682 -18.8486 -31.6682 1.56559 GPRESSAVG: 1999600 -31.4475 -6.87878 -19.0468 -7.05914 53.3628 -32.2226 -20.7572 -30.5067 0.426228 TIMING: 1999600 CPU: 6381.05, 0.00318151/step Wall: 6381.05, 0.00318151/step, 2.65162 hours remaining, 241.488281 MB of memory in use. ENERGY: 1999600 4026.1562 20525.5799 14462.8663 249.2334 -204125.9823 2673.6883 0.0000 0.0000 51869.6046 -110318.8535 298.0953 -162188.4581 -109957.8632 298.6520 -41.0030 -15.0813 758754.6948 7.3941 7.4472 PRESSURE: 1999800 147.788 -117.474 -173.125 -117.473 -133.612 -119.098 -173.125 -119.098 205.531 GPRESSURE: 1999800 115.145 -89.1368 -101.641 -150.433 -65.491 -125.867 -129.588 -93.4187 254.815 PRESSAVG: 1999800 33.3512 -1.90052 -11.2367 -1.90048 -40.2674 -46.7582 -11.2367 -46.7581 -13.5803 GPRESSAVG: 1999800 33.6958 -2.60143 -8.74614 -2.41886 -39.4102 -45.7848 -11.2436 -50.3028 -14.7241 TIMING: 1999800 CPU: 6381.68, 0.00319186/step Wall: 6381.68, 0.00319186/step, 2.66006 hours remaining, 241.488281 MB of memory in use. ENERGY: 1999800 3962.1812 20718.6260 14438.2172 237.5693 -203792.4581 2616.2271 0.0000 0.0000 51672.1826 -110147.4547 296.9607 -161819.6373 -109787.3021 298.2175 73.2358 101.4895 759413.9564 -6.8321 -6.8128 PRESSURE: 2000000 -275.613 66.3924 -163.89 66.3915 -198.843 -231.329 -163.89 -231.33 323.553 GPRESSURE: 2000000 -277.054 73.477 -215.644 -63.158 -70.8757 -255.97 -122.539 -177.429 279.248 PRESSAVG: 2000000 2.96243 -42.7434 -3.84863 -42.7435 -13.1754 -8.58755 -3.8486 -8.58761 -11.8038 GPRESSAVG: 2000000 3.62074 -40.0969 -4.99524 -43.8308 -15.2908 -7.79646 -2.98672 -8.19562 -10.5814 TIMING: 2000000 CPU: 6382.32, 0.00319353/step Wall: 6382.32, 0.00319353/step, 2.66127 hours remaining, 241.488281 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: 2000000 3908.9491 20495.9705 14345.2965 238.0733 -203305.3484 2332.4931 0.0000 0.0000 51806.7347 -110177.8313 297.7340 -161984.5660 -109811.8419 298.2712 -50.3006 -22.8940 759621.6413 -7.3390 -7.4172 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 242.749 63.9886 110.755 63.989 -287.656 -21.5417 110.755 -21.5412 290.411 GPRESSURE: 2000200 188.469 61.9124 176.966 -47.3523 -144.66 -44.0373 100.682 -41.2565 282.113 PRESSAVG: 2000200 5.37849 -36.191 20.2494 -36.191 -23.4633 -60.9104 20.2494 -60.9103 6.81376 GPRESSAVG: 2000200 5.2021 -38.5285 22.7579 -35.0536 -22.6946 -62.4636 20.9281 -58.7082 6.72645 TIMING: 2000200 CPU: 6384.62, 0.0114664/step Wall: 6384.62, 0.0114664/step, 9.55471 hours remaining, 241.488281 MB of memory in use. ENERGY: 2000200 3971.7754 20531.1690 14343.9459 245.0408 -203492.3210 2572.7318 0.0000 0.0000 51728.5066 -110099.1516 297.2844 -161827.6582 -109732.1363 297.9892 81.8345 108.6409 760233.0400 -3.7570 -3.5887 LDB: ============= START OF LOAD BALANCING ============== 6397.07 LDB: ============== END OF LOAD BALANCING =============== 6397.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6397.07 LDB: ============= START OF LOAD BALANCING ============== 6397.39 LDB: Largest compute 7024 load 0.035961 is 18.4% of average load 0.195256 LDB: Average compute 0.004370 is 2.2% of average load 0.195256 LDB: TIME 6397.39 LOAD: AVG 0.195256 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 6397.39 LOAD: AVG 0.195256 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 6397.39 LOAD: AVG 0.195256 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 6397.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6397.4 PRESSURE: 2000400 58.8998 -168.207 11.3619 -168.207 -187.234 -14.2489 11.3619 -14.2487 116.732 GPRESSURE: 2000400 61.9798 -197.461 59.0335 -167.536 -159.061 -75.5685 -123.544 -43.7768 153.32 PRESSAVG: 2000400 67.8183 -21.3722 3.54345 -21.3722 -46.831 -15.6815 3.54348 -15.6815 29.3695 GPRESSAVG: 2000400 66.9669 -20.9844 0.53916 -21.4669 -46.3699 -15.2991 3.8639 -16.7197 29.4934 TIMING: 2000400 CPU: 6385.26, 0.00323062/step Wall: 6385.26, 0.00323062/step, 2.69183 hours remaining, 240.292969 MB of memory in use. ENERGY: 2000400 3999.5033 20406.8515 14426.4032 241.3874 -203246.4664 2318.9082 0.0000 0.0000 51908.2357 -109945.1769 298.3173 -161853.4126 -109586.0618 298.2293 -3.8673 18.7463 760668.8639 16.7856 16.6968 PRESSURE: 2000600 219.285 58.7458 57.6768 58.7449 -223.696 128.431 57.6765 128.43 -329.942 GPRESSURE: 2000600 260.828 112.776 11.6227 157.667 -185.596 204.115 50.8822 105.3 -337.248 PRESSAVG: 2000600 22.5137 -24.7425 -14.8804 -24.7425 -27.2024 48.9564 -14.8804 48.9565 -5.58673 GPRESSAVG: 2000600 23.7288 -24.0966 -15.0127 -23.5445 -27.379 49.9802 -15.2963 47.9545 -6.17074 TIMING: 2000600 CPU: 6385.89, 0.00313591/step Wall: 6385.89, 0.00313591/step, 2.61274 hours remaining, 240.292969 MB of memory in use. ENERGY: 2000600 3967.9925 20414.5575 14347.3864 237.3188 -203292.4823 2319.6457 0.0000 0.0000 51956.4135 -110049.1678 298.5942 -162005.5813 -109680.1408 298.3198 -111.4511 -87.3384 760467.3201 -3.4251 -3.2736 PRESSURE: 2000800 -303.181 100.338 21.0626 100.339 -321.953 102.04 21.062 102.04 -71.6218 GPRESSURE: 2000800 -292.165 67.1257 28.1496 -8.18361 -231.322 45.3233 56.2893 198.892 -103.594 PRESSAVG: 2000800 36.425 18.3092 8.87836 18.3092 -18.3923 35.0022 8.87832 35.0021 7.43336 GPRESSAVG: 2000800 36.5377 17.7441 9.11409 17.191 -18.2256 34.3476 10.4214 35.377 7.12451 TIMING: 2000800 CPU: 6386.52, 0.00315411/step Wall: 6386.52, 0.00315411/step, 2.62773 hours remaining, 240.292969 MB of memory in use. ENERGY: 2000800 3955.8388 20441.7363 14407.4800 263.7602 -203572.6494 2545.7063 0.0000 0.0000 51997.3253 -109960.8025 298.8293 -161958.1278 -109605.5893 298.2512 -232.2520 -209.0268 762266.0390 8.4887 8.4789 PRESSURE: 2001000 -133.081 -115.785 -52.7094 -115.784 -342.012 112.971 -52.7094 112.971 -103.914 GPRESSURE: 2001000 -100.31 16.3958 -30.42 -128.558 -414.848 129.458 -101.246 94.4981 2.80737 PRESSAVG: 2001000 14.7185 -0.206891 24.9056 -0.206858 -7.72673 38.4436 24.9055 38.4437 4.43734 GPRESSAVG: 2001000 14.4985 1.29337 25.5461 -0.0277172 -8.65709 36.9358 23.8162 37.9194 5.53833 TIMING: 2001000 CPU: 6387.15, 0.00316282/step Wall: 6387.15, 0.00316282/step, 2.6348 hours remaining, 240.292969 MB of memory in use. ENERGY: 2001000 3957.1188 20543.6816 14463.4411 262.0021 -203233.4686 2303.2392 0.0000 0.0000 51727.9052 -109976.0807 297.2810 -161703.9859 -109621.9301 298.2496 -193.0025 -170.7835 762254.6794 3.8097 3.7932 PRESSURE: 2001200 -384.361 137.496 158.248 137.495 -261.078 -97.6576 158.248 -97.6566 50.1268 GPRESSURE: 2001200 -418.711 84.0451 246.436 160.429 -178.396 -129.432 240.99 -15.6612 77.6067 PRESSAVG: 2001200 33.5859 -21.8719 32.0241 -21.872 7.478 -12.2347 32.0241 -12.2346 14.895 GPRESSAVG: 2001200 33.8362 -23.8825 32.4749 -19.2287 8.06727 -12.3795 30.2282 -10.7422 13.9088 TIMING: 2001200 CPU: 6387.79, 0.00317783/step Wall: 6387.79, 0.00317783/step, 2.64713 hours remaining, 240.292969 MB of memory in use. ENERGY: 2001200 3985.3533 20435.0036 14443.6954 260.6114 -202943.9310 2172.3535 0.0000 0.0000 51593.0645 -110053.8494 296.5061 -161646.9138 -109686.7930 298.0707 -198.4375 -173.1665 762577.5675 18.6530 18.6041 PRESSURE: 2001400 93.1687 -37.7941 -109.172 -37.7936 -414.832 -143.375 -109.172 -143.375 -93.7472 GPRESSURE: 2001400 52.0729 49.5956 -124.447 87.1012 -322.807 -86.2954 -122.093 -22.5154 -28.4618 PRESSAVG: 2001400 -28.5629 -73.2188 -0.474811 -73.2188 24.2601 32.6015 -0.474799 32.6015 -35.5357 GPRESSAVG: 2001400 -28.828 -73.9255 -0.380408 -74.5983 23.8551 32.8411 -0.0429237 33.8158 -34.6533 TIMING: 2001400 CPU: 6388.42, 0.00315982/step Wall: 6388.42, 0.00315982/step, 2.63196 hours remaining, 240.292969 MB of memory in use. ENERGY: 2001400 3901.7995 20434.8339 14346.1314 240.0570 -203351.6623 2457.0285 0.0000 0.0000 52177.5595 -109794.2524 299.8652 -161971.8119 -109435.8024 298.3185 -138.4703 -99.7320 761129.0609 -13.2795 -13.2087 PRESSURE: 2001600 111.882 134.695 -0.953113 134.695 -264.336 251.586 -0.953085 251.586 -167.693 GPRESSURE: 2001600 116.73 119.928 -66.4489 15.7562 -241.064 142.488 -128.877 112.914 -122.346 PRESSAVG: 2001600 35.9124 -33.3629 -26.9132 -33.363 13.4021 -10.4812 -26.9132 -10.4812 -12.7271 GPRESSAVG: 2001600 35.4234 -33.6314 -28.8581 -33.8052 13.3113 -9.04082 -26.7512 -13.9577 -12.2965 TIMING: 2001600 CPU: 6389.05, 0.00315033/step Wall: 6389.05, 0.00315033/step, 2.62387 hours remaining, 240.292969 MB of memory in use. ENERGY: 2001600 3956.8577 20585.5927 14427.7799 269.5407 -203676.6670 2774.0654 0.0000 0.0000 52065.7271 -109597.1036 299.2224 -161662.8307 -109243.1288 298.9215 -106.7158 -82.2266 760964.6989 12.1958 12.1461 PRESSURE: 2001800 135.318 -272.592 -149.219 -272.592 -219.87 14.4893 -149.22 14.4895 -235.051 GPRESSURE: 2001800 74.5442 -292.746 -139.749 -318.701 -135.545 74.5418 -107.924 -6.01566 -191.81 PRESSAVG: 2001800 72.7895 -52.1656 -8.98963 -52.1656 -48.466 -15.3272 -8.98961 -15.3272 -11.9669 GPRESSAVG: 2001800 73.1067 -50.6949 -6.46309 -51.5566 -48.261 -15.4202 -10.8167 -13.3203 -12.5933 TIMING: 2001800 CPU: 6389.68, 0.00316322/step Wall: 6389.68, 0.00316322/step, 2.63444 hours remaining, 240.292969 MB of memory in use. ENERGY: 2001800 4005.3518 20406.6040 14484.4308 259.2876 -203525.9720 2604.5217 0.0000 0.0000 52078.9115 -109686.8647 299.2982 -161765.7762 -109323.1560 298.9248 -106.5343 -84.2704 759174.2409 4.1189 4.0841 PRESSURE: 2002000 -28.6038 193.084 -94.0798 193.083 -387.24 290.318 -94.0803 290.319 -516.001 GPRESSURE: 2002000 54.0567 -3.61704 -47.1908 126.931 -456.979 334.281 -25.8071 268.76 -452.017 PRESSAVG: 2002000 3.12791 10.9053 -2.98955 10.9053 26.6408 50.3372 -2.98953 50.3372 12.2954 GPRESSAVG: 2002000 3.09784 9.48623 -4.06709 9.6192 26.2595 50.542 -0.674729 49.6398 12.3995 TIMING: 2002000 CPU: 6390.31, 0.00315619/step Wall: 6390.31, 0.00315619/step, 2.6284 hours remaining, 240.292969 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: 2002000 4015.9537 20351.0296 14438.1709 237.2247 -203291.9565 2286.9649 0.0000 0.0000 52011.6023 -109951.0104 298.9114 -161962.6127 -109600.9509 298.8051 -310.6151 -284.9798 759296.8178 14.0214 13.9189 PRESSURE: 2002200 -17.6047 -161.424 159.165 -161.424 -66.7768 -69.1825 159.166 -69.1845 -253.206 GPRESSURE: 2002200 41.6175 -205.611 220.826 -138.327 30.9392 -141.448 96.0203 -77.5763 -318.781 PRESSAVG: 2002200 32.656 -23.335 28.8998 -23.3351 26.7716 -52.1151 28.8998 -52.115 33.7081 GPRESSAVG: 2002200 34.7883 -23.4594 28.7173 -22.4071 26.2612 -51.8609 28.2229 -52.0052 32.382 TIMING: 2002200 CPU: 6390.94, 0.00315058/step Wall: 6390.94, 0.00315058/step, 2.62356 hours remaining, 240.292969 MB of memory in use. ENERGY: 2002200 4012.5860 20245.4328 14344.6062 248.4792 -203296.5507 2472.5391 0.0000 0.0000 52182.4065 -109790.5010 299.8930 -161972.9075 -109413.5924 297.8925 -112.5291 -82.0748 759445.4399 31.0452 31.1438 PRESSURE: 2002400 -188.73 95.3058 -79.8162 95.3062 -80.9779 164.699 -79.8169 164.698 51.0251 GPRESSURE: 2002400 -151.744 176.665 -66.401 85.4296 -91.0225 160.34 -59.8912 156.716 100.243 PRESSAVG: 2002400 -8.52249 -25.5922 29.868 -25.5921 28.2415 -34.005 29.868 -34.005 2.40226 GPRESSAVG: 2002400 -11.6549 -25.0331 30.6591 -24.6832 31.1372 -32.7982 29.9863 -33.8778 2.8728 TIMING: 2002400 CPU: 6391.58, 0.00318128/step Wall: 6391.58, 0.00318128/step, 2.64894 hours remaining, 240.292969 MB of memory in use. ENERGY: 2002400 4016.9545 20639.6166 14398.6411 263.8575 -203034.3547 2200.5134 0.0000 0.0000 51777.4838 -109737.2878 297.5659 -161514.7716 -109385.6196 298.5256 -72.8943 -47.5076 760818.6121 7.3737 7.4517 PRESSURE: 2002600 -146.182 -222.22 -76.5657 -222.22 -299.613 67.7004 -76.5651 67.699 -64.1991 GPRESSURE: 2002600 -115.84 -165.742 -9.49551 -307.533 -287.332 -13.6719 -7.80071 158.287 -49.1837 PRESSAVG: 2002600 8.26393 -60.7 50.7776 -60.7 -18.3751 -21.1569 50.7776 -21.1569 -3.19742 GPRESSAVG: 2002600 8.77155 -58.8297 50.1754 -64.6565 -20.0692 -21.6557 52.4869 -22.1675 -2.02788 TIMING: 2002600 CPU: 6392.21, 0.0031719/step Wall: 6392.21, 0.0031719/step, 2.64096 hours remaining, 240.292969 MB of memory in use. ENERGY: 2002600 4115.4333 20535.7752 14398.2568 259.3117 -203663.4667 2623.8968 0.0000 0.0000 51796.9227 -109933.8703 297.6776 -161730.7930 -109570.4850 298.8435 -169.9980 -150.7852 760385.3413 -4.4362 -4.4418 PRESSURE: 2002800 189.659 -142.628 21.179 -142.627 143.644 -49.8904 21.1787 -49.8911 130.163 GPRESSURE: 2002800 188.733 -110.812 53.2594 -250.136 186.545 -33.8016 3.49309 -85.6166 179.83 PRESSAVG: 2002800 84.6725 -46.581 5.2109 -46.581 -27.6829 17.5849 5.21094 17.5849 8.29945 GPRESSAVG: 2002800 84.8957 -48.3218 5.60709 -43.852 -27.2564 16.5168 4.34291 18.5329 8.6392 TIMING: 2002800 CPU: 6392.85, 0.00319174/step Wall: 6392.85, 0.00319174/step, 2.6573 hours remaining, 240.292969 MB of memory in use. ENERGY: 2002800 3964.7208 20551.2910 14373.5303 236.8045 -203506.8393 2546.3985 0.0000 0.0000 51904.0886 -109930.0058 298.2935 -161834.0944 -109574.5977 298.4444 154.4883 185.0362 758761.9115 21.7630 22.0929 PRESSURE: 2003000 -313.018 -67.6469 97.611 -67.6467 252.859 75.0031 97.6111 75.0017 203.374 GPRESSURE: 2003000 -170.761 -210.179 173.857 -58.8016 242.148 26.1277 104.521 168.689 171.807 PRESSAVG: 2003000 10.9693 -50.1842 29.344 -50.1842 24.1546 66.5804 29.344 66.5804 -1.57309 GPRESSAVG: 2003000 11.2846 -49.9732 29.5633 -51.0552 24.3433 67.7303 29.9443 66.8939 -2.31231 TIMING: 2003000 CPU: 6393.49, 0.00317279/step Wall: 6393.49, 0.00317279/step, 2.64134 hours remaining, 240.292969 MB of memory in use. ENERGY: 2003000 3948.9474 20424.9442 14458.1668 242.3231 -203683.6076 2893.6854 0.0000 0.0000 51891.0392 -109824.5015 298.2185 -161715.5407 -109469.0082 298.3353 47.7383 81.0647 761173.6799 11.1836 11.1052 PRESSURE: 2003200 -245.868 -82.5187 114.867 -82.5183 -32.3712 -79.2619 114.868 -79.263 4.65501 GPRESSURE: 2003200 -124.593 -91.3716 108.995 -152.556 -54.2646 -39.9776 109.041 -30.0498 -1.76809 PRESSAVG: 2003200 -31.5428 -66.0558 22.3536 -66.0558 38.9598 43.1188 22.3535 43.1189 17.8565 GPRESSAVG: 2003200 -30.8142 -65.9769 21.1137 -66.828 37.0694 42.4856 23.1992 42.0502 18.8861 TIMING: 2003200 CPU: 6394.12, 0.00316126/step Wall: 6394.12, 0.00316126/step, 2.63158 hours remaining, 240.292969 MB of memory in use. ENERGY: 2003200 3969.2683 20457.8883 14410.8919 258.2401 -203280.9780 2324.4740 0.0000 0.0000 52187.0251 -109673.1903 299.9196 -161860.2154 -109298.9121 298.6032 -91.1947 -60.2087 760417.8113 8.4245 8.3804 PRESSURE: 2003400 -246.887 102.978 -27.8457 102.977 -308.884 38.2591 -27.8462 38.2605 -182.637 GPRESSURE: 2003400 -281.748 22.7575 -54.621 91.0303 -261.25 15.9548 -31.4704 144.034 -117.696 PRESSAVG: 2003400 -27.93 -28.1491 -6.42717 -28.149 46.0747 -21.1246 -6.42723 -21.1246 13.7911 GPRESSAVG: 2003400 -28.6491 -27.7736 -6.4982 -27.0702 47.7371 -20.7526 -6.47725 -19.8532 13.2259 TIMING: 2003400 CPU: 6394.76, 0.00318317/step Wall: 6394.76, 0.00318317/step, 2.64963 hours remaining, 240.292969 MB of memory in use. ENERGY: 2003400 4012.8061 20625.6836 14402.2631 217.0968 -203269.1386 2254.4457 0.0000 0.0000 52118.9040 -109637.9392 299.5281 -161756.8433 -109275.6515 298.5628 -246.1359 -220.2316 760839.3553 10.6453 10.7713 PRESSURE: 2003600 -218.346 79.3628 -97.2282 79.3626 -101.058 63.7555 -97.2284 63.7566 -97.6079 GPRESSURE: 2003600 -269.594 -6.78037 -179.734 83.3913 16.6211 51.8405 -58.2938 -34.759 -51.7566 PRESSAVG: 2003600 5.31617 20.1992 41.7338 20.1993 42.3743 -19.3138 41.7338 -19.3138 -43.358 GPRESSAVG: 2003600 4.41287 19.554 42.9407 20.2541 43.1604 -21.4196 39.1017 -19.1466 -43.5124 TIMING: 2003600 CPU: 6395.39, 0.00318692/step Wall: 6395.39, 0.00318692/step, 2.65258 hours remaining, 240.292969 MB of memory in use. ENERGY: 2003600 3946.4761 20554.9306 14363.1641 237.4066 -203135.0271 2569.6849 0.0000 0.0000 51971.8326 -109491.5324 298.6828 -161463.3649 -109135.3396 299.2100 -139.0039 -101.5763 761580.9436 1.4441 1.3536 PRESSURE: 2003800 -331.857 71.7922 -169.902 71.792 -328.537 69.2424 -169.903 69.2414 203.806 GPRESSURE: 2003800 -387.982 102.982 -265.95 24.5071 -209.888 102.467 -184.882 17.6961 231.769 PRESSAVG: 2003800 -47.4515 11.6153 44.2968 11.6154 49.1531 11.7854 44.2968 11.7854 2.69167 GPRESSAVG: 2003800 -45.6509 10.7559 42.3845 11.7534 48.7442 14.0018 44.0128 10.0183 1.73837 TIMING: 2003800 CPU: 6396.03, 0.00318215/step Wall: 6396.03, 0.00318215/step, 2.64843 hours remaining, 240.292969 MB of memory in use. ENERGY: 2003800 3986.5158 20533.9051 14339.2667 259.7427 -202970.6625 2393.9196 0.0000 0.0000 52133.1039 -109324.2087 299.6097 -161457.3126 -108954.9112 299.2758 -152.1961 -122.0339 762127.2455 1.4644 1.6105 PRESSURE: 2004000 485.02 -97.2964 -126.653 -97.2966 474.615 -58.6004 -126.653 -58.6009 340.931 GPRESSURE: 2004000 585.263 -65.3043 -198.748 -145.59 437.712 3.8666 -85.6391 -117.138 368.043 PRESSAVG: 2004000 35.8475 2.71814 3.00519 2.71812 -35.8174 -20.5094 3.00517 -20.5095 -1.50046 GPRESSAVG: 2004000 36.2042 3.14532 3.13238 1.88034 -36.0682 -22.6333 5.93701 -17.7265 -0.824633 TIMING: 2004000 CPU: 6396.67, 0.0031855/step Wall: 6396.67, 0.0031855/step, 2.65105 hours remaining, 240.292969 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: 2004000 3937.2864 20427.5002 14419.6872 245.5987 -202768.7678 2468.0081 0.0000 0.0000 52068.7354 -109201.9518 299.2397 -161270.6871 -108840.2857 299.1424 433.5219 463.6730 760076.6435 -0.4901 -0.2295 PRESSURE: 2004200 -425.863 -2.47997 -105.79 -2.48011 -91.158 -213.872 -105.791 -213.872 -46.2815 GPRESSURE: 2004200 -356.266 -40.2298 -146.885 79.0542 -91.0696 -191.267 -48.3154 -178.05 -17.4471 PRESSAVG: 2004200 11.2175 43.0941 -51.2656 43.094 -9.88109 -24.9127 -51.2657 -24.9127 5.09334 GPRESSAVG: 2004200 11.6761 42.4969 -50.2173 44.2198 -11.5723 -24.129 -50.2497 -24.4796 6.276 TIMING: 2004200 CPU: 6397.31, 0.0032054/step Wall: 6397.31, 0.0032054/step, 2.66743 hours remaining, 240.292969 MB of memory in use. ENERGY: 2004200 4034.0701 20474.8758 14386.0171 242.3752 -203167.4254 2611.1684 0.0000 0.0000 52165.2949 -109253.6240 299.7947 -161418.9189 -108896.3737 299.5437 -187.7675 -154.9276 761332.0125 2.1433 2.1266 LDB: ============= START OF LOAD BALANCING ============== 6409.76 LDB: ============== END OF LOAD BALANCING =============== 6409.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6409.76 LDB: ============= START OF LOAD BALANCING ============== 6410.08 LDB: Largest compute 7069 load 0.034516 is 17.7% of average load 0.195143 LDB: Average compute 0.004366 is 2.2% of average load 0.195143 LDB: TIME 6410.09 LOAD: AVG 0.195143 MAX 0.217524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.516 MB LDB: TIME 6410.09 LOAD: AVG 0.195143 MAX 0.217524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.719 MB LDB: TIME 6410.09 LOAD: AVG 0.195143 MAX 0.217524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.719 MB LDB: ============== END OF LOAD BALANCING =============== 6410.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6410.09 PRESSURE: 2004400 176.613 -164.923 -237.679 -164.922 -52.1763 43.845 -237.679 43.8439 201.355 GPRESSURE: 2004400 157.662 -201.282 -185.396 -170.088 -39.8437 -34.8177 -21.4828 87.7457 300.842 PRESSAVG: 2004400 -4.94873 -3.2487 -38.4384 -3.24876 -22.9911 32.6889 -38.4384 32.689 4.78447 GPRESSAVG: 2004400 -4.99833 -4.24694 -37.0241 -3.01282 -21.1069 35.2565 -38.794 30.0593 3.4941 TIMING: 2004400 CPU: 6397.96, 0.00325209/step Wall: 6397.96, 0.00325209/step, 2.7061 hours remaining, 241.316406 MB of memory in use. ENERGY: 2004400 3953.7753 20393.0689 14383.2001 249.7518 -202842.3519 2568.0277 0.0000 0.0000 52025.4679 -109269.0601 298.9911 -161294.5281 -108910.5028 299.5176 108.5972 139.5534 762548.2384 -7.7185 -7.5370 PRESSURE: 2004600 -114.563 -93.1259 -1.0949 -93.1253 -11.5674 118.151 -1.09501 118.15 357.004 GPRESSURE: 2004600 -104.892 -35.6079 -68.6868 9.04747 70.8221 56.7166 31.3254 101.037 341.039 PRESSAVG: 2004600 -24.1291 -47.8511 -3.40558 -47.8511 24.6625 -7.55978 -3.40556 -7.5598 -12.3546 GPRESSAVG: 2004600 -26.1425 -44.8008 -5.42525 -49.7897 26.6533 -10.6861 -4.13378 -6.30319 -12.2899 TIMING: 2004600 CPU: 6398.6, 0.00319369/step Wall: 6398.6, 0.00319369/step, 2.65733 hours remaining, 241.515625 MB of memory in use. ENERGY: 2004600 3989.4241 20427.8085 14415.9923 242.4136 -202919.3914 2690.6307 0.0000 0.0000 51962.0713 -109191.0509 298.6267 -161153.1222 -108830.9977 299.3699 76.9580 102.3232 761370.6888 -3.9404 -3.9263 PRESSURE: 2004800 -170.732 33.3935 13.2486 33.3938 189.74 -230.534 13.2486 -230.534 91.7465 GPRESSURE: 2004800 -76.8676 23.3773 -33.2538 -49.7952 125.266 -184.606 88.7645 -191.003 118.793 PRESSAVG: 2004800 -59.4096 -10.1835 37.7584 -10.1835 42.9758 -69.1577 37.7583 -69.1577 1.7235 GPRESSAVG: 2004800 -58.2992 -11.1141 38.7478 -8.81785 40.5215 -68.8946 36.6617 -70.3708 3.47903 TIMING: 2004800 CPU: 6399.24, 0.00318861/step Wall: 6399.24, 0.00318861/step, 2.65292 hours remaining, 241.515625 MB of memory in use. ENERGY: 2004800 3920.9944 20393.3421 14400.4526 255.8660 -203142.4191 2597.3890 0.0000 0.0000 52216.3349 -109358.0401 300.0880 -161574.3749 -108991.4650 299.0374 36.9182 55.7305 761499.6618 -4.9034 -4.7662 PRESSURE: 2005000 -109.158 -29.0135 22.3965 -29.0135 -18.5125 4.08212 22.3963 4.08221 -5.7336 GPRESSURE: 2005000 -29.4772 -131.369 8.35665 -28.3291 26.364 -16.7741 -76.3429 -78.4037 -44.7332 PRESSAVG: 2005000 -44.0457 -40.8941 3.38989 -40.8941 30.3697 -1.90816 3.3899 -1.90808 7.33515 GPRESSAVG: 2005000 -43.7751 -42.7097 3.2812 -41.7704 30.7991 0.191934 3.31142 -2.37092 6.52441 TIMING: 2005000 CPU: 6399.86, 0.00314648/step Wall: 6399.86, 0.00314648/step, 2.6177 hours remaining, 241.515625 MB of memory in use. ENERGY: 2005000 4062.2555 20428.1313 14453.3336 257.0069 -202860.7903 2362.7305 0.0000 0.0000 51981.7460 -109315.5865 298.7398 -161297.3325 -108942.3551 299.3252 -44.4680 -15.9488 760562.9727 -2.1136 -2.1505 PRESSURE: 2005200 -162.985 -43.1772 -158.005 -43.1774 -360.754 -117.212 -158.005 -117.212 -285.371 GPRESSURE: 2005200 -112.057 -62.8466 -103.878 34.8496 -270.382 -65.2124 -118.886 -55.2242 -344.997 PRESSAVG: 2005200 -8.86608 19.6499 -3.5836 19.6499 1.92667 -4.06913 -3.58364 -4.06917 2.88179 GPRESSAVG: 2005200 -10.1039 19.7654 -2.93162 20.7635 1.77788 -4.95067 -3.98055 -2.49269 4.11221 TIMING: 2005200 CPU: 6400.5, 0.00317754/step Wall: 6400.5, 0.00317754/step, 2.64336 hours remaining, 241.515625 MB of memory in use. ENERGY: 2005200 4056.4986 20447.0261 14427.2525 261.8544 -202828.2388 2424.5120 0.0000 0.0000 52076.8064 -109134.2888 299.2861 -161211.0952 -108774.4807 299.6436 -269.7034 -242.4785 763800.5112 -1.3525 -1.4046 PRESSURE: 2005400 217.827 -131.018 336.096 -131.018 40.9511 -8.17488 336.097 -8.17487 220.639 GPRESSURE: 2005400 310.332 5.01057 217.046 -219.309 63.2491 35.7754 225.744 54.7311 200.432 PRESSAVG: 2005400 19.1641 -28.6847 6.41368 -28.6847 -38.0216 10.0905 6.41362 10.0905 -12.9645 GPRESSAVG: 2005400 20.5206 -26.0288 5.64754 -28.8539 -37.8906 11.7775 7.94142 8.69446 -14.3504 TIMING: 2005400 CPU: 6401.14, 0.00318239/step Wall: 6401.14, 0.00318239/step, 2.64722 hours remaining, 241.515625 MB of memory in use. ENERGY: 2005400 3951.1302 20498.3125 14447.8880 254.3928 -203543.0116 2894.5207 0.0000 0.0000 52395.5013 -109101.2661 301.1177 -161496.7675 -108728.8590 299.8161 159.8056 191.3376 762813.2005 -10.6073 -10.5735 PRESSURE: 2005600 57.5106 202.118 -18.4595 202.118 -189.575 -172.957 -18.46 -172.958 -240.699 GPRESSURE: 2005600 56.585 116.504 22.1527 211.455 -99.7817 -211.807 -46.4691 -57.4548 -248.349 PRESSAVG: 2005600 -0.163355 -52.6448 -15.1526 -52.6447 -2.63384 -11.8366 -15.1526 -11.8366 -6.1221 GPRESSAVG: 2005600 -0.788885 -55.4198 -14.1773 -51.688 -3.20448 -14.1237 -15.1929 -12.4529 -5.41921 TIMING: 2005600 CPU: 6401.77, 0.00316809/step Wall: 6401.77, 0.00316809/step, 2.63514 hours remaining, 241.515625 MB of memory in use. ENERGY: 2005600 4037.7896 20515.7545 14360.8571 253.3764 -203155.2505 2244.0726 0.0000 0.0000 52462.0427 -109281.3577 301.5001 -161743.4004 -108921.4972 300.2323 -124.2546 -97.1819 762811.2480 -2.9731 -3.1375 PRESSURE: 2005800 -236.341 78.4678 149.207 78.4675 -156.38 27.0539 149.208 27.0538 152.384 GPRESSURE: 2005800 -163.736 67.2153 170.973 69.6657 -58.3345 -17.1069 36.5609 71.4107 61.0755 PRESSAVG: 2005800 -7.77882 -9.17362 -29.9189 -9.17364 29.4322 2.78733 -29.9189 2.78731 -7.85832 GPRESSAVG: 2005800 -8.22407 -9.57826 -30.125 -8.78642 30.0039 3.69119 -30.5592 4.7434 -7.96282 TIMING: 2005800 CPU: 6402.4, 0.00314218/step Wall: 6402.4, 0.00314218/step, 2.61342 hours remaining, 241.515625 MB of memory in use. ENERGY: 2005800 4052.2123 20756.5053 14390.8823 240.4546 -203338.4004 2540.6211 0.0000 0.0000 52153.4721 -109204.2528 299.7267 -161357.7249 -108843.7506 300.2637 -80.1123 -53.6649 760931.6999 4.5983 4.6057 PRESSURE: 2006000 317.674 -186.02 27.5572 -186.021 -8.12756 -38.6681 27.5573 -38.6682 221.955 GPRESSURE: 2006000 380.089 -156.916 10.5083 -225.771 34.3132 -140.145 -125.455 -68.1967 189.75 PRESSAVG: 2006000 -46.2454 -22.929 6.22783 -22.9289 38.7618 -22.0196 6.22788 -22.0196 -11.7237 GPRESSAVG: 2006000 -46.016 -19.9041 3.68053 -24.9686 38.4119 -23.3746 6.02294 -22.752 -12.422 TIMING: 2006000 CPU: 6403.03, 0.00316666/step Wall: 6403.03, 0.00316666/step, 2.6336 hours remaining, 241.515625 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: 2006000 4072.3049 20744.3138 14405.1266 255.0289 -203631.0314 2692.1416 0.0000 0.0000 52266.2486 -109195.8669 300.3748 -161462.1156 -108834.4308 300.3269 177.1670 201.3838 761094.8007 -6.4024 -6.6754 PRESSURE: 2006200 -214.899 265.588 -134.861 265.588 -11.857 -20.9648 -134.86 -20.9654 -9.27261 GPRESSURE: 2006200 -202.613 238.029 -48.6427 250.352 64.7077 -74.0722 -190.028 27.0646 -4.55032 PRESSAVG: 2006200 12.1229 -0.256411 37.8608 -0.256367 -23.9576 72.7498 37.8609 72.7499 17.7177 GPRESSAVG: 2006200 10.9759 -0.0664903 39.4615 -0.856775 -24.0928 72.5783 38.2767 73.7225 18.8563 TIMING: 2006200 CPU: 6403.67, 0.00317162/step Wall: 6403.67, 0.00317162/step, 2.63755 hours remaining, 241.515625 MB of memory in use. ENERGY: 2006200 4039.4408 20723.6668 14457.3396 260.8742 -203145.9348 2508.6188 0.0000 0.0000 51986.6177 -109169.3768 298.7678 -161155.9946 -108810.0522 300.6370 -78.6763 -47.4851 761557.0173 1.9610 1.9131 PRESSURE: 2006400 -109.16 184.892 -120.609 184.892 -305.214 -110.611 -120.609 -110.61 -270.267 GPRESSURE: 2006400 -102.453 51.5686 -15.8777 89.5961 -254.055 -128.263 -222.91 -96.2874 -253.677 PRESSAVG: 2006400 -7.171 14.2791 22.9714 14.2792 -23.123 -25.8436 22.9714 -25.8436 0.706366 GPRESSAVG: 2006400 -6.16597 13.9473 23.2281 16.1909 -22.1061 -24.9133 23.7008 -26.657 -1.25768 TIMING: 2006400 CPU: 6404.31, 0.00320602/step Wall: 6404.31, 0.00320602/step, 2.66599 hours remaining, 241.515625 MB of memory in use. ENERGY: 2006400 3999.4162 20671.4394 14442.1463 275.7232 -202627.3239 2150.5778 0.0000 0.0000 51829.9301 -109258.0909 297.8673 -161088.0210 -108886.6221 300.1412 -228.2139 -203.3953 762557.8110 -9.8625 -9.8433 PRESSURE: 2006600 384.904 24.2889 -83.3117 24.2877 344.439 -90.2496 -83.3119 -90.2493 223.027 GPRESSURE: 2006600 421.934 186.739 -31.1943 -58.8903 406.102 -212.531 -37.7599 -41.0693 209.632 PRESSAVG: 2006600 -34.3878 20.1714 6.05961 20.1714 -1.30843 -65.4152 6.05962 -65.4152 -15.3643 GPRESSAVG: 2006600 -34.7244 19.1057 6.29579 20.2174 -1.70312 -68.0024 6.25284 -66.1959 -14.4259 TIMING: 2006600 CPU: 6404.95, 0.00322732/step Wall: 6404.95, 0.00322732/step, 2.68352 hours remaining, 241.515625 MB of memory in use. ENERGY: 2006600 4105.1028 20677.8700 14385.4691 274.1979 -203449.0517 2569.4722 0.0000 0.0000 52114.1581 -109322.7816 299.5008 -161436.9397 -108975.2461 299.5439 317.4569 345.8893 759256.3774 -17.0202 -16.9511 PRESSURE: 2006800 -19.1541 202.351 190.594 202.351 168.252 41.1728 190.594 41.1723 92.3588 GPRESSURE: 2006800 55.2615 100.432 260.078 146.334 164.01 123.969 66.5024 3.6888 131.309 PRESSAVG: 2006800 -7.65371 7.72253 40.9351 7.72246 3.78728 -10.926 40.9351 -10.9259 0.52381 GPRESSAVG: 2006800 -6.72488 6.46272 42.4787 7.7232 3.64417 -9.55168 39.8607 -9.76689 0.487271 TIMING: 2006800 CPU: 6405.59, 0.00317318/step Wall: 6405.59, 0.00317318/step, 2.63832 hours remaining, 241.515625 MB of memory in use. ENERGY: 2006800 3981.1956 20424.3778 14422.3095 244.2304 -203440.3860 2650.4279 0.0000 0.0000 52286.7728 -109431.0719 300.4928 -161717.8447 -109068.2082 299.4600 80.4856 116.8601 759465.4051 -1.1142 -0.8645 PRESSURE: 2007000 -198.635 -12.3934 -267.917 -12.3934 5.1324 -67.0066 -267.918 -67.0064 280.492 GPRESSURE: 2007000 -125.097 -2.53586 -212.124 -38.499 21.6311 -37.561 -353.485 -55.8051 267.882 PRESSAVG: 2007000 4.70217 -29.4908 47.9746 -29.4909 -5.13897 -54.4199 47.9746 -54.4198 -2.09304 GPRESSAVG: 2007000 3.87334 -28.9157 45.659 -30.6952 -5.31619 -54.3019 50.2939 -55.2304 -1.91781 TIMING: 2007000 CPU: 6406.22, 0.00315186/step Wall: 6406.22, 0.00315186/step, 2.62042 hours remaining, 241.515625 MB of memory in use. ENERGY: 2007000 3986.2348 20488.6387 14460.8970 252.0588 -203275.6223 2701.8908 0.0000 0.0000 51882.3898 -109503.5124 298.1688 -161385.9022 -109136.1081 299.0717 28.9964 54.8053 760465.9000 -0.8433 -1.1202 PRESSURE: 2007200 -600.602 -99.9474 52.9115 -99.9481 -112.222 246.292 52.9114 246.292 49.3367 GPRESSURE: 2007200 -532.902 -203.333 25.0534 -53.9968 -41.1829 303.521 25.8546 206.589 -25.0527 PRESSAVG: 2007200 -30.1722 -3.82113 -12.2369 -3.82121 58.0872 -1.18371 -12.2369 -1.18367 14.5246 GPRESSAVG: 2007200 -29.4024 -2.65822 -11.5676 -3.26505 57.3332 0.432443 -13.9826 -1.03862 13.9729 TIMING: 2007200 CPU: 6406.84, 0.00312107/step Wall: 6406.84, 0.00312107/step, 2.59465 hours remaining, 241.515625 MB of memory in use. ENERGY: 2007200 3944.7735 20646.6522 14398.8561 246.9252 -203573.0860 2641.7031 0.0000 0.0000 52064.2345 -109629.9413 299.2139 -161694.1758 -109266.9163 299.0071 -221.1622 -199.7125 760611.0551 14.1465 13.9679 PRESSURE: 2007400 139.412 -8.95654 -114.821 -8.95572 184.7 65.846 -114.821 65.8446 188.355 GPRESSURE: 2007400 206.019 20.4666 -42.3147 -2.77597 216.997 -28.3028 -147.262 53.945 178.636 PRESSAVG: 2007400 7.55338 -14.8319 -17.3228 -14.832 -29.0935 23.8171 -17.3227 23.8171 19.9578 GPRESSAVG: 2007400 6.63678 -16.4348 -17.5091 -14.6705 -29.0261 24.6386 -18.736 22.602 20.2965 TIMING: 2007400 CPU: 6407.47, 0.0031421/step Wall: 6407.47, 0.0031421/step, 2.61196 hours remaining, 241.515625 MB of memory in use. ENERGY: 2007400 3842.9542 20523.1855 14366.9123 253.7609 -203152.1463 2512.4619 0.0000 0.0000 52028.9562 -109623.9152 299.0111 -161652.8714 -109258.6380 298.9642 170.8225 200.5509 759231.7150 -0.5274 -0.6976 PRESSURE: 2007600 -299.371 72.0112 -24.5396 72.0105 -51.127 90.0158 -24.5391 90.0169 -232.216 GPRESSURE: 2007600 -186.492 -16.4362 -14.2139 149.492 -27.2134 150.793 -67.2594 137.354 -280.128 PRESSAVG: 2007600 -5.71702 -36.9888 -19.9135 -36.9889 -12.2626 2.96667 -19.9135 2.96673 -1.61591 GPRESSAVG: 2007600 -5.60332 -36.4419 -20.9752 -36.4568 -11.5999 0.861431 -17.6196 6.1389 -2.40981 TIMING: 2007600 CPU: 6408.1, 0.00315586/step Wall: 6408.1, 0.00315586/step, 2.62322 hours remaining, 241.515625 MB of memory in use. ENERGY: 2007600 3948.9103 20652.4006 14406.0852 262.0225 -203005.4706 2236.3168 0.0000 0.0000 52084.7813 -109414.9541 299.3320 -161499.7353 -109049.9336 299.2859 -194.2379 -164.6110 761328.5987 -6.5319 -6.5377 PRESSURE: 2007800 48.1981 21.252 121.127 21.252 -320.28 222.308 121.127 222.307 -282.596 GPRESSURE: 2007800 45.1213 -49.1515 129.987 -25.9202 -267.287 290.794 119.777 17.9348 -256.204 PRESSAVG: 2007800 19.2373 -29.8484 4.98173 -29.8483 -20.2303 57.6612 4.98175 57.6613 4.73093 GPRESSAVG: 2007800 19.0608 -28.7703 5.37599 -31.0966 -20.727 58.9438 4.02438 56.0527 5.56037 TIMING: 2007800 CPU: 6408.73, 0.00316256/step Wall: 6408.73, 0.00316256/step, 2.62862 hours remaining, 241.515625 MB of memory in use. ENERGY: 2007800 4076.2005 20655.8989 14445.1008 267.7817 -203004.3715 2193.7070 0.0000 0.0000 52057.2766 -109308.4060 299.1739 -161365.6826 -108943.6148 299.7065 -184.8926 -159.4568 759817.0185 1.2460 1.2981 PRESSURE: 2008000 55.6996 18.4439 158.053 18.4452 -342.683 -64.8803 158.053 -64.8804 -81.4542 GPRESSURE: 2008000 88.614 61.9485 84.2207 -67.9561 -257.414 -121.75 182.991 -138.983 -122.212 PRESSAVG: 2008000 -36.9759 -27.4863 -8.36941 -27.4863 12.5184 -31.5314 -8.36941 -31.5313 7.55785 GPRESSAVG: 2008000 -36.6698 -27.4332 -6.47246 -25.3017 12.0183 -32.824 -9.97405 -31.2327 7.49555 TIMING: 2008000 CPU: 6409.36, 0.00313262/step Wall: 6409.36, 0.00313262/step, 2.60356 hours remaining, 241.515625 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: 2008000 3908.2081 20530.7020 14436.2626 235.2720 -203034.6840 2327.7947 0.0000 0.0000 52333.1620 -109263.2827 300.7594 -161596.4447 -108892.5505 300.0608 -122.8127 -97.0041 760610.0776 -5.6332 -5.7186 PRESSURE: 2008200 -123.25 -137.831 -62.5388 -137.831 -180.389 194.451 -62.5379 194.451 -322.199 GPRESSURE: 2008200 -78.2872 -129.874 15.0586 -144.623 -153.425 275.301 -73.3308 177.604 -313.593 PRESSAVG: 2008200 45.4551 -34.8988 -10.5021 -34.8988 4.07996 3.40076 -10.5021 3.40074 19.2291 GPRESSAVG: 2008200 44.9489 -35.3375 -11.5394 -36.5319 3.15711 6.4573 -8.6605 3.70417 20.4443 TIMING: 2008200 CPU: 6409.99, 0.00313512/step Wall: 6409.99, 0.00313512/step, 2.60546 hours remaining, 241.515625 MB of memory in use. ENERGY: 2008200 4023.8605 20325.9500 14386.4121 257.6514 -203135.5647 2379.4118 0.0000 0.0000 52397.2112 -109365.0677 301.1275 -161762.2790 -108982.2829 299.9055 -208.6125 -181.7687 762450.4409 22.9214 22.8501 LDB: ============= START OF LOAD BALANCING ============== 6422.44 LDB: ============== END OF LOAD BALANCING =============== 6422.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6422.44 LDB: ============= START OF LOAD BALANCING ============== 6422.76 LDB: Largest compute 7071 load 0.035667 is 18.3% of average load 0.195250 LDB: Average compute 0.004388 is 2.2% of average load 0.195250 LDB: TIME 6422.76 LOAD: AVG 0.19525 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.859 MB LDB: TIME 6422.76 LOAD: AVG 0.19525 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.93 MB LDB: TIME 6422.76 LOAD: AVG 0.19525 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.93 MB LDB: ============== END OF LOAD BALANCING =============== 6422.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6422.77 PRESSURE: 2008400 -38.2394 -97.3946 252.017 -97.3942 134.842 0.548659 252.017 0.549021 -19.6472 GPRESSURE: 2008400 -15.7045 -35.0863 192.463 -157.239 203.949 8.70248 143.215 -64.4365 -43.0883 PRESSAVG: 2008400 -71.3193 -12.7216 4.0948 -12.7216 66.3587 36.5045 4.09483 36.5045 -7.93189 GPRESSAVG: 2008400 -71.4596 -13.4645 2.69496 -11.2928 68.2379 35.2806 3.87929 34.0364 -9.6246 TIMING: 2008400 CPU: 6410.63, 0.0032323/step Wall: 6410.63, 0.0032323/step, 2.68604 hours remaining, 240.230469 MB of memory in use. ENERGY: 2008400 3970.3601 20502.8662 14454.3131 256.8394 -203016.9630 2489.0024 0.0000 0.0000 52085.3941 -109258.1877 299.3355 -161343.5818 -108899.7252 299.6232 25.6517 48.3854 761925.5200 -4.2975 -4.2821 PRESSURE: 2008600 -8.97336 -113.217 -141.396 -113.217 31.3863 -67.7527 -141.395 -67.7536 -190.535 GPRESSURE: 2008600 -21.9772 -154.291 -88.4003 -55.8378 83.0797 6.00446 -123.774 18.5719 -139.809 PRESSAVG: 2008600 0.557035 -20.39 2.11055 -20.3899 24.3448 48.2064 2.11056 48.2063 6.26332 GPRESSAVG: 2008600 -0.708049 -19.202 4.82046 -21.7358 23.6887 48.5987 0.0389723 50.1324 7.52899 TIMING: 2008600 CPU: 6411.27, 0.00316941/step Wall: 6411.27, 0.00316941/step, 2.63361 hours remaining, 240.230469 MB of memory in use. ENERGY: 2008600 3917.9257 20442.8584 14344.2560 237.1681 -203140.9635 2780.8393 0.0000 0.0000 52177.6709 -109240.2452 299.8658 -161417.9161 -108872.1725 299.8994 -56.0407 -26.2356 761420.6522 10.3884 10.1699 PRESSURE: 2008800 -32.2032 126.722 24.4636 126.722 183.178 166.233 24.4637 166.233 31.0615 GPRESSURE: 2008800 14.6603 137.528 -35.0526 47.1144 167.478 184.768 75.0561 176.09 87.1939 PRESSAVG: 2008800 42.5619 31.2518 12.6431 31.2519 -36.8103 3.37065 12.6431 3.37067 -19.8164 GPRESSAVG: 2008800 43.2272 30.7971 10.3172 32.602 -37.2482 2.48276 14.9611 3.46803 -19.4587 TIMING: 2008800 CPU: 6411.9, 0.00315995/step Wall: 6411.9, 0.00315995/step, 2.62557 hours remaining, 240.230469 MB of memory in use. ENERGY: 2008800 3984.5606 20599.6538 14472.5068 241.5831 -203494.0657 2498.2875 0.0000 0.0000 52249.3506 -109448.1233 300.2777 -161697.4739 -109094.3641 299.4910 60.6787 89.7775 762226.9772 -4.6883 -4.4932 PRESSURE: 2009000 -141.226 -36.1215 181.167 -36.1219 -145.871 53.3749 181.166 53.3747 62.1058 GPRESSURE: 2009000 -88.6836 -74.1097 120.726 29.0734 -119.824 49.0866 252.982 36.7189 86.3917 PRESSAVG: 2009000 -7.1696 -57.6932 -54.4707 -57.6932 -11.5996 66.6371 -54.4707 66.6371 -2.3775 GPRESSAVG: 2009000 -6.86428 -58.958 -54.3625 -57.1862 -10.7662 67.8065 -53.168 67.0827 -3.01712 TIMING: 2009000 CPU: 6412.53, 0.00315909/step Wall: 6412.53, 0.00315909/step, 2.62468 hours remaining, 240.230469 MB of memory in use. ENERGY: 2009000 3961.6545 20529.7443 14505.9881 245.6232 -203353.8956 2755.0277 0.0000 0.0000 51933.5033 -109422.3546 298.4626 -161355.8579 -109056.8360 299.1343 -74.9971 -40.7053 762538.5599 -7.0489 -6.8825 PRESSURE: 2009200 554.013 -100.136 53.6655 -100.137 94.1649 -234.436 53.6653 -234.436 373.431 GPRESSURE: 2009200 522.063 -156 110.529 -195.473 149.959 -180.524 -70.873 -155.297 430.5 PRESSAVG: 2009200 74.9845 -49.3142 -3.96258 -49.3141 -72.7536 15.8274 -3.9626 15.8275 20.232 GPRESSAVG: 2009200 75.2787 -46.0899 -3.58842 -49.6219 -73.5057 15.9778 -4.27928 15.235 19.933 TIMING: 2009200 CPU: 6413.17, 0.0031694/step Wall: 6413.17, 0.0031694/step, 2.63307 hours remaining, 240.230469 MB of memory in use. ENERGY: 2009200 3951.8663 20641.0353 14441.6180 257.3648 -204156.6639 3067.9469 0.0000 0.0000 52200.7401 -109596.0924 299.9984 -161796.8325 -109240.0336 299.4331 340.5364 367.5071 759633.0375 7.4876 7.2353 PRESSURE: 2009400 -126.536 -4.51948 83.1927 -4.52005 162.79 207.255 83.1939 207.255 -164.161 GPRESSURE: 2009400 -133.173 48.4259 148.573 -113.867 189.692 242.055 147.185 22.5089 -100.615 PRESSAVG: 2009400 30.2909 -18.1499 -12.9421 -18.1498 -21.1697 5.4172 -12.9422 5.41716 17.1896 GPRESSAVG: 2009400 30.2566 -21.3947 -10.9639 -17.0153 -21.8457 4.12535 -13.7511 6.36075 17.7924 TIMING: 2009400 CPU: 6413.81, 0.00320198/step Wall: 6413.81, 0.00320198/step, 2.65996 hours remaining, 240.230469 MB of memory in use. ENERGY: 2009400 4002.5730 20665.0876 14410.1376 250.1101 -203562.1243 2617.5877 0.0000 0.0000 52059.6699 -109556.9584 299.1876 -161616.6283 -109204.3730 299.3408 -42.6356 -14.6987 759866.3015 8.7703 8.7344 PRESSURE: 2009600 228.799 -69.0903 -188.965 -69.0897 -73.0122 213.76 -188.966 213.76 -379.228 GPRESSURE: 2009600 207.615 -125.099 -202.617 -72.6082 15.3121 168.707 -293.529 79.1437 -359.811 PRESSAVG: 2009600 67.5372 3.27446 21.0235 3.2745 -85.1599 -27.8708 21.0235 -27.8708 -0.603599 GPRESSAVG: 2009600 67.8113 3.93284 20.023 0.930505 -84.0302 -27.4335 20.4427 -28.2539 -1.21803 TIMING: 2009600 CPU: 6414.45, 0.00320447/step Wall: 6414.45, 0.00320446/step, 2.66184 hours remaining, 240.230469 MB of memory in use. ENERGY: 2009600 3935.6667 20531.8709 14533.6282 248.0397 -203153.3223 2518.8631 0.0000 0.0000 51972.0680 -109413.1856 298.6842 -161385.2536 -109054.4125 299.4385 -74.4802 -45.6277 761070.1358 -6.0754 -5.8123 PRESSURE: 2009800 -260.409 -25.2529 67.2432 -25.2525 -111.693 -239.58 67.2431 -239.58 255.151 GPRESSURE: 2009800 -129.967 -96.5736 49.8522 -77.4381 -149.173 -190.427 69.286 -311.136 225.73 PRESSAVG: 2009800 -25.0143 -0.343168 -19.3537 -0.343171 1.62406 -24.1085 -19.3536 -24.1084 -0.645818 GPRESSAVG: 2009800 -24.7052 0.000501408 -17.0587 0.024642 1.36744 -24.2208 -20.208 -25.5107 -0.79508 TIMING: 2009800 CPU: 6415.09, 0.00323638/step Wall: 6415.09, 0.00323638/step, 2.68817 hours remaining, 240.230469 MB of memory in use. ENERGY: 2009800 4011.3780 20607.8445 14455.1145 252.7493 -203084.0625 2332.9717 0.0000 0.0000 52117.7636 -109306.2410 299.5215 -161424.0045 -108948.9514 299.7293 -38.9835 -17.8034 762063.5606 -8.0120 -8.0443 PRESSURE: 2010000 439.365 -175.557 -192.759 -175.559 204.385 -93.6307 -192.759 -93.6305 46.0994 GPRESSURE: 2010000 392.77 -94.3446 -253.918 -204.765 265.875 -116.732 -104.515 -167.457 107.557 PRESSAVG: 2010000 45.7544 -93.0137 32.8153 -93.0136 -67.3335 -45.7588 32.8153 -45.7588 15.6489 GPRESSAVG: 2010000 45.8603 -92.0278 31.4777 -92.8066 -67.8753 -46.0851 33.6547 -43.8163 15.6282 TIMING: 2010000 CPU: 6415.73, 0.00319873/step Wall: 6415.73, 0.00319873/step, 2.65673 hours remaining, 240.230469 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: 2010000 3961.5704 20421.6451 14466.1708 251.0881 -203059.6300 2694.8951 0.0000 0.0000 52008.2008 -109256.0597 298.8918 -161264.2605 -108905.0392 299.6811 229.9500 255.4006 762524.9479 -1.9767 -2.1290 PRESSURE: 2010200 -82.2221 -256.919 37.4384 -256.918 -185.566 -55.9481 37.4379 -55.9478 -23.5403 GPRESSURE: 2010200 -60.79 -304.418 112.799 -208.421 -102.299 -50.8535 73.0789 -40.873 -46.2079 PRESSAVG: 2010200 -10.1236 -32.8564 -32.7617 -32.8563 -7.70709 -4.52187 -32.7618 -4.52195 -7.57032 GPRESSAVG: 2010200 -11.0504 -34.4561 -32.676 -31.4653 -6.14584 -3.42202 -34.1287 -5.02796 -8.63511 TIMING: 2010200 CPU: 6416.37, 0.00317981/step Wall: 6416.37, 0.00317981/step, 2.64083 hours remaining, 240.230469 MB of memory in use. ENERGY: 2010200 3948.1219 20480.9207 14432.5213 263.5092 -202668.9667 2125.9197 0.0000 0.0000 52140.1333 -109277.8406 299.6501 -161417.9739 -108911.0593 299.2060 -97.1096 -69.7658 761213.0261 -8.4670 -8.6105 PRESSURE: 2010400 429.868 -82.3724 67.3328 -82.3728 -183.094 -30.2053 67.3331 -30.2056 370.286 GPRESSURE: 2010400 410.156 -42.4997 91.289 -55.0034 -107.473 -93.3082 31.0617 58.1529 402.056 PRESSAVG: 2010400 42.3048 -33.573 79.9526 -33.573 -27.9673 51.0711 79.9525 51.0711 0.388852 GPRESSAVG: 2010400 42.7801 -32.1959 77.7747 -34.8338 -29.5144 50.0972 81.6915 51.1884 2.22269 TIMING: 2010400 CPU: 6417.01, 0.00319138/step Wall: 6417.01, 0.00319138/step, 2.65026 hours remaining, 240.230469 MB of memory in use. ENERGY: 2010400 4089.9063 20448.4411 14456.8826 233.5604 -203022.2471 2575.2186 0.0000 0.0000 52032.1101 -109186.1279 299.0293 -161218.2380 -108824.6456 299.4976 205.6866 234.9130 761832.7026 4.9088 5.1628 PRESSURE: 2010600 -391.441 284.021 -120.595 284.022 -318.444 130.018 -120.594 130.018 31.6421 GPRESSURE: 2010600 -412.03 232.483 -63.8394 332.212 -249.176 166.19 -14.5695 165.503 34.9699 PRESSAVG: 2010600 10.3925 23.5729 47.9054 23.5729 -7.63811 76.9546 47.9055 76.9545 25.2533 GPRESSAVG: 2010600 9.06552 22.1403 49.3099 24.2091 -6.56279 77.2385 49.8286 76.321 25.9032 TIMING: 2010600 CPU: 6417.65, 0.00320798/step Wall: 6417.65, 0.00320798/step, 2.66387 hours remaining, 240.230469 MB of memory in use. ENERGY: 2010600 3964.6025 20465.6611 14582.6841 258.7802 -203204.9404 2529.0768 0.0000 0.0000 52056.3253 -109347.8102 299.1684 -161404.1355 -108984.5093 299.8144 -226.0810 -208.7456 762505.0107 9.3359 9.4686 PRESSURE: 2010800 349.365 299.042 -153.356 299.041 120.548 -193.44 -153.355 -193.439 185.978 GPRESSURE: 2010800 326.015 217.887 -106.324 247.903 168.215 -236.677 -72.2024 -49.5597 225.35 PRESSAVG: 2010800 41.9942 -32.7354 -0.810637 -32.7355 6.03925 5.16935 -0.81059 5.16934 17.3127 GPRESSAVG: 2010800 42.4005 -31.8738 -0.467296 -33.834 5.99752 5.29903 -3.22455 6.92054 16.4735 TIMING: 2010800 CPU: 6418.29, 0.003189/step Wall: 6418.29, 0.003189/step, 2.64793 hours remaining, 240.230469 MB of memory in use. ENERGY: 2010800 4083.7085 20724.0672 14531.2850 247.6934 -203633.3243 2765.4579 0.0000 0.0000 52073.5948 -109207.5175 299.2677 -161281.1122 -108851.4394 299.7816 218.6302 239.8601 759100.3912 21.7821 21.6238 PRESSURE: 2011000 -4.20209 153.421 -87.734 153.421 -84.7197 -138.318 -87.7342 -138.317 40.8719 GPRESSURE: 2011000 45.8248 169.157 -167.862 242.057 -46.401 -202.011 -5.48493 -158.443 27.7868 PRESSAVG: 2011000 19.8708 5.69723 72.9721 5.69722 -22.7594 -65.9153 72.972 -65.9153 15.4622 GPRESSAVG: 2011000 20.854 6.14988 72.7083 5.8423 -22.7399 -66.9965 73.4159 -67.1026 14.129 TIMING: 2011000 CPU: 6418.93, 0.00319716/step Wall: 6418.93, 0.00319716/step, 2.65453 hours remaining, 240.230469 MB of memory in use. ENERGY: 2011000 3955.6214 20646.0827 14531.4561 240.7043 -203326.0805 2586.4797 0.0000 0.0000 52249.0598 -109116.6764 300.2761 -161365.7362 -108746.4653 299.8483 -16.0166 9.0702 761410.8171 4.1912 4.0810 PRESSURE: 2011200 -214.746 106.116 -343.897 106.116 54.4183 34.9217 -343.898 34.9223 -7.43384 GPRESSURE: 2011200 -52.7947 141.303 -245.71 101.429 -45.7609 118.086 -264.442 185.689 31.435 PRESSAVG: 2011200 -17.9074 -7.60072 46.8913 -7.60075 -23.06 48.0955 46.8913 48.0954 -15.9831 GPRESSAVG: 2011200 -18.5457 -6.29316 47.3148 -8.59764 -23.5119 47.7836 47.4935 51.1877 -15.206 TIMING: 2011200 CPU: 6419.57, 0.00319213/step Wall: 6419.57, 0.00319213/step, 2.65017 hours remaining, 240.230469 MB of memory in use. ENERGY: 2011200 3977.8405 20509.0520 14524.0452 234.1851 -203216.2506 2542.6910 0.0000 0.0000 52317.6797 -109110.7571 300.6704 -161428.4368 -108738.6179 299.5336 -55.9207 -22.3735 760684.0154 -18.9835 -19.0878 PRESSURE: 2011400 -264.198 -27.9791 -48.9497 -27.9791 -172.996 249.667 -48.9496 249.666 -121.124 GPRESSURE: 2011400 -199.625 -37.3913 -75.8864 -167.313 -127.069 303.985 -11.5017 177.59 -146.243 PRESSAVG: 2011400 8.74701 -46.6189 16.2299 -46.6189 -2.12223 61.197 16.2299 61.1969 -2.31185 GPRESSAVG: 2011400 8.53774 -49.7601 15.1152 -44.3044 -2.79889 63.1754 15.1622 59.2478 -1.11924 TIMING: 2011400 CPU: 6420.2, 0.00317889/step Wall: 6420.2, 0.00317889/step, 2.63901 hours remaining, 240.230469 MB of memory in use. ENERGY: 2011400 4083.5064 20508.3038 14470.8326 248.5803 -202977.9222 2280.1316 0.0000 0.0000 52071.1219 -109315.4455 299.2535 -161386.5674 -108952.6939 299.4457 -186.1058 -157.6457 761554.2637 1.4376 1.5399 PRESSURE: 2011600 -211.133 113.495 179.743 113.495 -1.2534 -10.1699 179.743 -10.1695 -73.5427 GPRESSURE: 2011600 -95.517 98.8505 131.821 32.3055 -59.6929 -23.08 82.2797 -112.376 -44.2847 PRESSAVG: 2011600 19.9511 -70.0314 53.9771 -70.0314 -14.5827 -14.4374 53.977 -14.4374 7.38352 GPRESSAVG: 2011600 21.2011 -69.2552 54.3172 -71.3745 -14.3483 -15.1453 52.3001 -16.5181 5.98279 TIMING: 2011600 CPU: 6420.83, 0.00313763/step Wall: 6420.83, 0.00313763/step, 2.60458 hours remaining, 240.230469 MB of memory in use. ENERGY: 2011600 4035.8388 20285.6498 14474.9431 253.1327 -203344.4419 2528.1255 0.0000 0.0000 52227.6884 -109539.0636 300.1532 -161766.7520 -109174.1343 298.9887 -95.3098 -66.4982 761376.4591 4.2506 4.2785 PRESSURE: 2011800 -130.344 -144.555 122.098 -144.556 197.123 -206.987 122.099 -206.987 -70.4031 GPRESSURE: 2011800 -60.43 -107.69 158.235 -151.951 71.713 -271.996 60.8379 -129.41 61.5402 PRESSAVG: 2011800 -35.5374 -20.2365 24.9044 -20.2366 5.4284 -20.3072 24.9044 -20.3071 -4.75896 GPRESSAVG: 2011800 -36.8852 -19.8487 23.9733 -20.377 5.56854 -22.5566 25.098 -19.2083 -3.184 TIMING: 2011800 CPU: 6421.46, 0.00313038/step Wall: 6421.46, 0.00313038/step, 2.59839 hours remaining, 240.230469 MB of memory in use. ENERGY: 2011800 4032.0043 20430.1981 14425.7181 252.5381 -202829.0028 2283.0809 0.0000 0.0000 52031.4594 -109374.0039 299.0255 -161405.4632 -109009.9911 299.5913 -1.2078 24.2744 760802.9772 -11.6227 -11.5002 PRESSURE: 2012000 -25.2698 -50.0847 -129.836 -50.0847 -225.45 -28.8273 -129.836 -28.8273 -217.008 GPRESSURE: 2012000 -34.5147 -48.2105 -95.5654 -93.3659 -157.68 -27.7886 -210.587 -13.0345 -182.78 PRESSAVG: 2012000 1.5475 -2.20646 20.5793 -2.20647 9.86185 35.2511 20.5793 35.251 28.2195 GPRESSAVG: 2012000 1.66069 -0.879757 21.2948 -2.43411 10.7784 37.2689 22.4189 36.3661 27.1243 TIMING: 2012000 CPU: 6422.09, 0.00315922/step Wall: 6422.09, 0.00315922/step, 2.62215 hours remaining, 240.230469 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: 2012000 4076.9756 20349.1183 14419.8194 225.8354 -202870.8949 2266.7362 0.0000 0.0000 52078.4997 -109453.9106 299.2959 -161532.4102 -109088.1962 299.2830 -155.9091 -124.9917 760176.8029 13.2096 13.1878 PRESSURE: 2012200 -236.497 146.018 -39.7868 146.017 -190.289 305.275 -39.7866 305.273 77.0686 GPRESSURE: 2012200 -202.833 27.9083 -92.9328 133.6 -156.295 384.507 -4.66357 199.76 103.778 PRESSAVG: 2012200 8.02542 -51.047 -11.4058 -51.047 3.59992 3.07092 -11.4058 3.07092 14.2591 GPRESSAVG: 2012200 8.17177 -52.7229 -11.3724 -51.5849 3.08213 2.62201 -12.448 2.9117 14.5027 TIMING: 2012200 CPU: 6422.72, 0.00317194/step Wall: 6422.72, 0.00317194/step, 2.63253 hours remaining, 240.230469 MB of memory in use. ENERGY: 2012200 3941.8975 20407.0043 14449.4103 252.1221 -203042.8608 2396.5064 0.0000 0.0000 52186.6084 -109409.3119 299.9172 -161595.9202 -109042.8124 299.4415 -116.5727 -85.1165 762187.0054 8.6281 8.5855 LDB: ============= START OF LOAD BALANCING ============== 6435.17 LDB: ============== END OF LOAD BALANCING =============== 6435.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6435.17 LDB: ============= START OF LOAD BALANCING ============== 6435.49 LDB: Largest compute 7071 load 0.036590 is 18.7% of average load 0.195211 LDB: Average compute 0.004396 is 2.3% of average load 0.195211 LDB: TIME 6435.49 LOAD: AVG 0.195211 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 6435.5 LOAD: AVG 0.195211 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: TIME 6435.5 LOAD: AVG 0.195211 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: ============== END OF LOAD BALANCING =============== 6435.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6435.5 PRESSURE: 2012400 83.801 -46.0223 -135.656 -46.0225 125.379 -119.832 -135.655 -119.833 -157.798 GPRESSURE: 2012400 113.228 -178.735 -202.191 -101.652 131.884 -116.331 -157.248 -217.847 -118.972 PRESSAVG: 2012400 -34.8883 -75.4783 -31.9242 -75.4782 22.1836 -0.461786 -31.9242 -0.461785 11.33 GPRESSAVG: 2012400 -35.903 -75.2956 -29.9322 -74.5328 23.0058 -0.0459167 -31.7085 -1.42725 11.0423 TIMING: 2012400 CPU: 6423.37, 0.00322489/step Wall: 6423.37, 0.00322489/step, 2.6763 hours remaining, 240.550781 MB of memory in use. ENERGY: 2012400 3974.2239 20574.4795 14416.3497 253.6890 -203541.1915 2671.9859 0.0000 0.0000 52131.6182 -109518.8454 299.6011 -161650.4636 -109170.1734 299.7253 17.1275 42.0468 759539.2994 -0.4583 -0.6183 PRESSURE: 2012600 -160.685 177.447 -61.2285 177.447 -133.779 -158.581 -61.2296 -158.581 -196.863 GPRESSURE: 2012600 -148.047 154.083 24.9069 64.5671 -46.2663 -183.739 -27.7607 -143.382 -207.558 PRESSAVG: 2012600 -31.3676 0.69709 -26.5896 0.697144 13.2354 36.0087 -26.5896 36.0087 25.0813 GPRESSAVG: 2012600 -30.8083 0.853891 -30.5256 -2.08558 12.6444 36.4953 -22.4474 34.3999 25.1964 TIMING: 2012600 CPU: 6424, 0.003151/step Wall: 6424, 0.003151/step, 2.6148 hours remaining, 240.753906 MB of memory in use. ENERGY: 2012600 4006.4937 20397.8936 14441.9271 249.9945 -202969.7883 2506.6695 0.0000 0.0000 51951.1395 -109415.6703 298.5639 -161366.8099 -109056.7049 299.3922 -163.7755 -133.9569 759473.5238 2.3164 2.3442 PRESSURE: 2012800 -136.064 55.5892 88.4092 55.5895 -140.944 -194.227 88.4091 -194.229 -259.815 GPRESSURE: 2012800 -98.1038 43.6787 -14.4376 146.023 -144.903 -66.1674 131.345 -274.362 -200.178 PRESSAVG: 2012800 30.7285 -37.0035 -43.4112 -37.0036 -17.3965 -48.8877 -43.4113 -48.8877 -19.9088 GPRESSAVG: 2012800 31.6801 -34.6496 -41.7664 -34.1496 -17.8525 -48.7333 -47.4014 -48.4172 -20.3137 TIMING: 2012800 CPU: 6424.63, 0.0031644/step Wall: 6424.63, 0.0031644/step, 2.62575 hours remaining, 240.753906 MB of memory in use. ENERGY: 2012800 3944.5496 20311.2346 14447.8050 263.5724 -202636.8089 2233.6482 0.0000 0.0000 52026.1011 -109409.8979 298.9947 -161435.9990 -109038.3761 299.5393 -178.9410 -147.7283 760088.4887 -2.1923 -2.1621 PRESSURE: 2013000 -112.518 84.5263 235.513 84.5259 101.959 -63.7544 235.514 -63.7542 230.861 GPRESSURE: 2013000 -83.4485 69.6749 257.641 122.363 97.8293 -7.75318 99.1485 113.909 303.005 PRESSAVG: 2013000 17.7994 -9.26904 -18.0689 -9.26911 8.17726 35.4751 -18.0689 35.4751 12.6079 GPRESSAVG: 2013000 17.5391 -10.5917 -18.0227 -9.67078 8.15423 35.7208 -17.5445 34.9022 12.8401 TIMING: 2013000 CPU: 6425.26, 0.00317432/step Wall: 6425.26, 0.00317432/step, 2.63381 hours remaining, 240.753906 MB of memory in use. ENERGY: 2013000 3899.7943 20436.7002 14425.8336 233.4127 -203140.0390 2510.8272 0.0000 0.0000 52030.8341 -109602.6367 299.0219 -161633.4709 -109234.7321 299.1173 73.4339 105.7951 760236.7677 12.8615 12.8445 PRESSURE: 2013200 129.654 9.55207 -128.421 9.55177 -97.1258 -92.9031 -128.421 -92.9027 -178.744 GPRESSURE: 2013200 196.991 65.5366 -14.6126 -106.946 -103.169 -75.2682 -110.215 -179.922 -153.345 PRESSAVG: 2013200 -39.0125 -43.3065 35.4498 -43.3064 6.2731 58.4393 35.4499 58.4393 40.8867 GPRESSAVG: 2013200 -38.6537 -43.9781 36.123 -43.8283 6.09003 58.3738 35.3474 59.9933 40.9493 TIMING: 2013200 CPU: 6425.9, 0.00320175/step Wall: 6425.9, 0.00320175/step, 2.65639 hours remaining, 240.753906 MB of memory in use. ENERGY: 2013200 3969.9510 20511.6866 14472.5001 254.1061 -203447.8191 2334.2965 0.0000 0.0000 52132.9234 -109772.3554 299.6086 -161905.2787 -109401.7864 298.8109 -48.7383 -19.8412 760049.4868 2.7158 2.7952 PRESSURE: 2013400 98.8792 141.403 -127.372 141.404 25.9002 24.574 -127.371 24.5743 185.106 GPRESSURE: 2013400 71.1304 124.016 -112.754 74.5314 141.838 48.4312 -107.911 59.9245 167.32 PRESSAVG: 2013400 -33.4783 5.44356 -30.3658 5.44354 79.1718 -24.3667 -30.3658 -24.3668 -18.5646 GPRESSAVG: 2013400 -34.7729 4.76202 -31.4236 7.48965 80.2016 -26.6853 -28.9975 -25.0452 -18.6354 TIMING: 2013400 CPU: 6426.54, 0.00319248/step Wall: 6426.54, 0.00319248/step, 2.64851 hours remaining, 240.753906 MB of memory in use. ENERGY: 2013400 4014.6821 20486.3544 14424.7203 233.4010 -203659.8203 2627.5009 0.0000 0.0000 52168.4927 -109704.6689 299.8130 -161873.1616 -109349.2170 299.1202 103.2951 126.7629 760663.8919 9.0430 8.9311 PRESSURE: 2013600 -139.142 -83.0504 90.5499 -83.0497 -243.213 -150.828 90.5483 -150.829 160.198 GPRESSURE: 2013600 -79.0546 -118.508 115.496 -174.572 -239.374 -100.781 -48.7915 -14.1787 169.132 PRESSAVG: 2013600 -44.3728 1.67911 -11.7387 1.67909 58.308 2.85783 -11.7388 2.85779 4.27323 GPRESSAVG: 2013600 -42.6679 3.10413 -10.3612 -0.529367 57.9012 4.98103 -12.0241 2.11523 3.23377 TIMING: 2013600 CPU: 6427.18, 0.00316093/step Wall: 6427.18, 0.00316093/step, 2.62217 hours remaining, 240.753906 MB of memory in use. ENERGY: 2013600 4042.0601 20359.5018 14469.3433 248.2428 -203282.4777 2493.2396 0.0000 0.0000 52148.1184 -109521.9717 299.6960 -161670.0901 -109155.3838 299.2423 -74.0525 -49.7655 761756.2926 6.0695 6.1557 PRESSURE: 2013800 56.2503 22.3587 93.2544 22.3596 -147.596 -90.8456 93.2541 -90.845 23.5354 GPRESSURE: 2013800 71.238 -134.094 77.562 -132.428 -109.5 -207.382 153.131 -3.56331 48.0712 PRESSAVG: 2013800 -24.8825 -7.24045 -59.3952 -7.24046 -17.9995 38.3026 -59.3951 38.3026 -11.4061 GPRESSAVG: 2013800 -25.6999 -6.22541 -61.7021 -6.04439 -18.94 37.4408 -58.9878 39.0976 -10.0776 TIMING: 2013800 CPU: 6427.81, 0.00318278/step Wall: 6427.81, 0.00318277/step, 2.64011 hours remaining, 240.753906 MB of memory in use. ENERGY: 2013800 4005.7253 20456.2374 14438.5441 254.1723 -203284.7968 2492.8465 0.0000 0.0000 52210.6078 -109426.6634 300.0551 -161637.2712 -109063.8578 299.4139 -22.6033 3.2697 760683.4285 -18.0960 -18.2392 PRESSURE: 2014000 24.304 33.4239 -213.541 33.4237 287.009 -30.4894 -213.54 -30.488 454.628 GPRESSURE: 2014000 130.698 59.0527 -214.531 74.3078 305.43 16.2275 -70.0794 -12.0777 425.247 PRESSAVG: 2014000 35.8272 12.1406 -8.74266 12.1406 41.6743 -9.96252 -8.74273 -9.96245 0.62519 GPRESSAVG: 2014000 36.789 8.14389 -7.54079 13.9697 42.1625 -9.2424 -10.0717 -9.57967 -0.471309 TIMING: 2014000 CPU: 6428.45, 0.00320406/step Wall: 6428.45, 0.00320406/step, 2.65759 hours remaining, 240.753906 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: 2014000 3930.9538 20451.4141 14413.2233 256.2343 -203499.6137 2827.8349 0.0000 0.0000 52184.4639 -109435.4893 299.9048 -161619.9532 -109084.3246 299.7331 255.3135 287.1250 760263.2562 26.0422 26.1601 PRESSURE: 2014200 -135.064 157.733 -37.4068 157.732 69.5792 183.298 -37.4081 183.298 208.317 GPRESSURE: 2014200 -89.4312 132.096 -102.103 261.108 141.042 211.1 66.1985 50.2043 216.406 PRESSAVG: 2014200 -42.0527 -19.0307 -12.1615 -19.0307 19.7274 7.54828 -12.1615 7.54827 11.5171 GPRESSAVG: 2014200 -43.4277 -15.2479 -11.7094 -19.8597 20.9135 7.61174 -12.4268 6.13458 12.3265 TIMING: 2014200 CPU: 6429.1, 0.003222/step Wall: 6429.1, 0.003222/step, 2.67229 hours remaining, 240.753906 MB of memory in use. ENERGY: 2014200 3999.1428 20292.0358 14442.9840 248.7676 -202989.6109 2563.3455 0.0000 0.0000 51942.4369 -109500.8983 298.5139 -161443.3352 -109143.7351 299.7069 47.6106 89.3387 760549.3818 -3.6027 -3.3959 PRESSURE: 2014400 234.215 160.583 215.956 160.583 -334.732 105.376 215.957 105.376 76.5115 GPRESSURE: 2014400 108.072 68.5161 185.203 268.882 -192.441 165.597 119.761 156.67 138.862 PRESSAVG: 2014400 -1.95982 26.7944 44.3732 26.7945 1.24854 29.1154 44.3732 29.1153 -17.0462 GPRESSAVG: 2014400 -2.04748 24.5397 43.6272 27.0064 -0.865725 30.2906 45.5343 29.6445 -15.0558 TIMING: 2014400 CPU: 6429.74, 0.00321655/step Wall: 6429.74, 0.00321655/step, 2.66759 hours remaining, 240.753906 MB of memory in use. ENERGY: 2014400 3966.8497 20345.7284 14417.2637 251.7730 -203510.5087 2507.3390 0.0000 0.0000 52266.4323 -109755.1226 300.3759 -162021.5549 -109394.2639 299.2037 -8.0018 18.1644 759593.9076 -5.9192 -5.9897 PRESSURE: 2014600 -14.6197 13.2589 109.224 13.2595 134.914 -75.7333 109.224 -75.7334 -784.198 GPRESSURE: 2014600 -55.0552 -16.6731 177.67 -47.532 182.703 -113.443 56.7395 -37.7696 -705.446 PRESSAVG: 2014600 34.2881 10.1693 -0.123345 10.1693 -75.3777 57.9458 -0.123319 57.9458 -2.77005 GPRESSAVG: 2014600 33.643 10.4963 2.99468 9.55044 -74.237 57.2543 -0.530254 58.0762 -3.3202 TIMING: 2014600 CPU: 6430.38, 0.00320077/step Wall: 6430.38, 0.00320077/step, 2.65433 hours remaining, 240.753906 MB of memory in use. ENERGY: 2014600 4041.3430 20441.2371 14434.9913 218.5033 -203244.6227 2243.8899 0.0000 0.0000 52324.1831 -109540.4748 300.7078 -161864.6579 -109178.1856 299.3481 -221.3013 -192.5993 759437.6453 -14.6199 -14.6381 PRESSURE: 2014800 -181.151 -48.1179 54.1968 -48.1176 -208.279 125.934 54.1959 125.934 262.144 GPRESSURE: 2014800 -92.5865 -126.401 63.9406 57.1573 -119.797 157.048 98.9062 110.458 169.633 PRESSAVG: 2014800 51.8698 6.30505 35.1409 6.30506 -8.88751 -39.1985 35.141 -39.1986 27.3621 GPRESSAVG: 2014800 51.7649 6.63915 31.8514 5.76619 -9.32524 -39.9595 35.7183 -36.8075 27.9283 TIMING: 2014800 CPU: 6431.02, 0.00322035/step Wall: 6431.02, 0.00322035/step, 2.67038 hours remaining, 240.753906 MB of memory in use. ENERGY: 2014800 4023.2168 20568.6205 14443.9707 237.0854 -203238.4907 2490.3865 0.0000 0.0000 52018.9148 -109456.2960 298.9534 -161475.2108 -109116.8489 299.4915 -42.4287 -14.2503 758874.4388 23.4481 23.4560 PRESSURE: 2015000 -173.746 42.8443 0.215065 42.8448 -320.933 -168.026 0.214404 -168.025 -111.973 GPRESSURE: 2015000 -169.835 75.5531 14.7955 18.4867 -259.106 -164.046 99.5021 -181.353 -81.295 PRESSAVG: 2015000 24.6542 18.3888 56.4346 18.3888 -15.7785 -9.53356 56.4346 -9.53356 7.78548 GPRESSAVG: 2015000 25.6423 20.2344 58.2747 16.6897 -16.4536 -7.10317 56.2636 -12.8565 7.36816 TIMING: 2015000 CPU: 6431.67, 0.0032341/step Wall: 6431.67, 0.0032341/step, 2.68161 hours remaining, 240.753906 MB of memory in use. ENERGY: 2015000 4051.1109 20499.5014 14498.9594 232.6625 -203036.6751 2322.9600 0.0000 0.0000 51990.6810 -109440.7998 298.7912 -161431.4808 -109086.6374 299.3035 -202.2172 -170.0785 760770.2288 5.5537 5.5189 PRESSURE: 2015200 -36.8751 7.2247 75.9571 7.22519 19.6372 -103.916 75.9566 -103.916 356.287 GPRESSURE: 2015200 -38.6358 -86.7413 -12.4065 109.704 96.1338 -146.532 185.663 -46.9387 370.675 PRESSAVG: 2015200 -40.0002 -21.8993 39.2495 -21.8993 24.9842 41.2315 39.2495 41.2314 -12.3805 GPRESSAVG: 2015200 -39.0524 -25.1172 38.63 -19.8082 24.757 38.466 37.634 41.9437 -13.5493 TIMING: 2015200 CPU: 6432.32, 0.00325785/step Wall: 6432.32, 0.00325785/step, 2.70112 hours remaining, 240.753906 MB of memory in use. ENERGY: 2015200 4014.7382 20295.4638 14531.2155 254.9565 -204018.0298 2964.6679 0.0000 0.0000 52272.6504 -109684.3374 300.4116 -161956.9878 -109331.0859 299.1623 113.0165 142.7245 760324.8409 -9.1322 -9.2816 PRESSURE: 2015400 -14.9801 -252.858 185.081 -252.858 -103.018 -197.254 185.081 -197.253 408.744 GPRESSURE: 2015400 -81.2702 -251.436 235.618 -355.497 -66.6692 -221.569 140.485 -33.8416 518.333 PRESSAVG: 2015400 2.5816 -96.2209 15.0437 -96.2208 14.584 0.15149 15.0438 0.151447 17.0864 GPRESSAVG: 2015400 2.72016 -93.7571 14.8233 -96.5522 14.3592 0.0648009 14.9868 1.50297 17.0244 TIMING: 2015400 CPU: 6432.97, 0.00325887/step Wall: 6432.97, 0.00325887/step, 2.70178 hours remaining, 240.753906 MB of memory in use. ENERGY: 2015400 3917.6590 20509.0254 14393.8418 224.2133 -203233.0153 2561.9526 0.0000 0.0000 51891.0175 -109735.3057 298.2184 -161626.3232 -109378.0045 299.2560 96.9151 123.4644 761400.6614 11.4173 11.3679 PRESSURE: 2015600 5.2985 -277.031 -135.961 -277.031 -617.205 -19.1297 -135.961 -19.1293 -522.852 GPRESSURE: 2015600 6.81262 -339.822 -173.387 -186.431 -595.017 84.5229 -169.425 15.6475 -458.269 PRESSAVG: 2015600 -18.2482 -12.8886 3.22529 -12.8885 23.9493 -14.9962 3.22535 -14.9963 -14.2872 GPRESSAVG: 2015600 -20.7101 -14.4538 2.65193 -11.99 25.6154 -14.4951 4.2683 -14.0862 -13.3831 TIMING: 2015600 CPU: 6433.62, 0.00322076/step Wall: 6433.62, 0.00322076/step, 2.67001 hours remaining, 240.753906 MB of memory in use. ENERGY: 2015600 4024.6766 20513.4807 14426.3775 252.6935 -202793.1030 2124.4522 0.0000 0.0000 51895.1409 -109556.2817 298.2421 -161451.4226 -109192.2602 298.5074 -378.2529 -348.8248 761935.2935 -2.8620 -2.8260 PRESSURE: 2015800 -214.141 275.067 236.283 275.067 -274.841 182.985 236.284 182.986 302.521 GPRESSURE: 2015800 -110.327 228.44 229.187 108.94 -232.566 178.532 33.2105 44.8287 263.329 PRESSAVG: 2015800 -2.55873 -35.1814 31.3372 -35.1815 -21.9652 -0.778054 31.3372 -0.778048 19.6804 GPRESSAVG: 2015800 -0.405311 -34.9024 31.6792 -34.4071 -24.0861 -1.00521 30.4615 -2.51227 19.8633 TIMING: 2015800 CPU: 6434.26, 0.00321139/step Wall: 6434.26, 0.00321139/step, 2.66207 hours remaining, 240.753906 MB of memory in use. ENERGY: 2015800 4031.9715 20372.5998 14434.9632 244.1785 -203412.3977 2699.9267 0.0000 0.0000 51921.2699 -109707.4881 298.3923 -161628.7580 -109332.9663 298.9372 -62.1536 -26.5214 762382.3379 -1.6145 -1.5427 PRESSURE: 2016000 -100.899 161.191 -16.9596 161.19 -95.7189 50.6906 -16.9603 50.6911 34.1051 GPRESSURE: 2016000 36.1927 118.902 25.2596 128.854 -126.236 125.817 -137.969 193.305 24.6682 PRESSAVG: 2016000 -19.331 0.17117 -25.7968 0.171193 5.6429 22.3175 -25.7967 22.3175 -8.70079 GPRESSAVG: 2016000 -19.3898 -1.42663 -24.0269 -1.02418 6.32651 22.3132 -26.2662 23.0223 -9.28549 TIMING: 2016000 CPU: 6434.9, 0.00321238/step Wall: 6434.9, 0.00321238/step, 2.66271 hours remaining, 240.753906 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: 2016000 3976.2956 20557.9262 14405.6747 257.4223 -202923.4600 2433.2728 0.0000 0.0000 51691.9222 -109600.9461 297.0742 -161292.8683 -109231.0362 299.0374 -54.1711 -21.7915 763458.9490 -7.4630 -7.4496 PRESSURE: 2016200 95.2935 -265.332 -116.63 -265.332 -201.222 223.394 -116.63 223.394 -150.007 GPRESSURE: 2016200 99.1891 -339.8 -107.774 -186.003 -169.355 137.333 -88.5026 133.735 -88.4263 PRESSAVG: 2016200 -35.9292 3.79547 19.3835 3.79543 8.73311 13.8195 19.3836 13.8196 5.67289 GPRESSAVG: 2016200 -36.0213 6.91573 19.876 2.58736 8.75723 14.8176 18.332 12.5529 6.67151 TIMING: 2016200 CPU: 6435.55, 0.00322076/step Wall: 6435.55, 0.00322076/step, 2.66947 hours remaining, 240.753906 MB of memory in use. ENERGY: 2016200 3960.9666 20428.3647 14450.2249 253.0208 -203220.9327 2487.9714 0.0000 0.0000 51925.6342 -109714.7502 298.4173 -161640.3844 -109352.3919 298.8319 -85.3118 -52.8639 760331.3174 -7.1744 -6.8642 LDB: ============= START OF LOAD BALANCING ============== 6448 LDB: ============== END OF LOAD BALANCING =============== 6448 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6448.01 LDB: ============= START OF LOAD BALANCING ============== 6448.32 LDB: Largest compute 7074 load 0.034785 is 17.8% of average load 0.195151 LDB: Average compute 0.004393 is 2.3% of average load 0.195151 LDB: TIME 6448.33 LOAD: AVG 0.195151 MAX 0.213778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 6448.33 LOAD: AVG 0.195151 MAX 0.213778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 6448.33 LOAD: AVG 0.195151 MAX 0.213778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 6448.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6448.34 PRESSURE: 2016400 -36.2097 -21.2322 110.274 -21.232 -380.904 -227.18 110.274 -227.182 -25.2539 GPRESSURE: 2016400 -103.877 137.049 89.7522 -100.694 -210.835 -242.643 15.5374 -6.40001 -65.847 PRESSAVG: 2016400 33.7961 27.5797 -44.6036 27.5798 -21.4095 10.1106 -44.6037 10.1105 -0.20373 GPRESSAVG: 2016400 34.0424 28.0729 -48.3119 26.4968 -19.9173 9.96586 -40.9075 9.5531 -2.41332 TIMING: 2016400 CPU: 6436.2, 0.00325885/step Wall: 6436.2, 0.00325885/step, 2.70086 hours remaining, 241.320312 MB of memory in use. ENERGY: 2016400 3972.7716 20674.9192 14418.6916 263.4552 -203557.7425 2477.6416 0.0000 0.0000 52032.6153 -109717.6479 299.0322 -161750.2633 -109359.7136 298.8238 -147.4557 -126.8529 762289.3755 4.0610 3.9039 PRESSURE: 2016600 21.601 -68.4163 -128.079 -68.4158 140.439 -119.078 -128.079 -119.076 215.735 GPRESSURE: 2016600 30.2478 -64.1653 -76.3448 -66.4496 164.806 -140.439 -274.405 -275.027 272.802 PRESSAVG: 2016600 -9.18829 27.0924 -0.786974 27.0924 2.00032 0.747827 -0.786944 0.747787 -4.87189 GPRESSAVG: 2016600 -7.69442 25.5887 0.585301 28.3329 0.112728 -0.664811 -3.73607 0.567238 -4.24821 TIMING: 2016600 CPU: 6436.84, 0.00322573/step Wall: 6436.84, 0.00322573/step, 2.67323 hours remaining, 241.523438 MB of memory in use. ENERGY: 2016600 4022.6234 20618.2610 14412.2763 248.8494 -203724.4778 2879.8035 0.0000 0.0000 51886.8762 -109655.7880 298.1946 -161542.6642 -109289.2504 299.3101 125.9249 155.9520 761107.7915 -4.0200 -3.9433 PRESSURE: 2016800 -26.9328 53.1107 -130.727 53.1109 149.911 -172.847 -130.728 -172.847 270.019 GPRESSURE: 2016800 -10.821 47.6302 -135.75 -1.40686 258.86 -212.731 -40.6503 102.58 231.829 PRESSAVG: 2016800 -12.8531 -1.29323 11.6232 -1.29324 -22.8213 21.2779 11.6232 21.2778 20.7576 GPRESSAVG: 2016800 -14.1568 0.424682 12.7515 -1.9556 -21.8887 22.5087 13.286 22.4727 21.3325 TIMING: 2016800 CPU: 6437.49, 0.00322387/step Wall: 6437.49, 0.00322387/step, 2.67152 hours remaining, 241.523438 MB of memory in use. ENERGY: 2016800 3964.9492 20485.4418 14349.0718 245.9097 -203437.4984 2865.7461 0.0000 0.0000 51942.4900 -109583.8899 298.5142 -161526.3798 -109229.2654 298.8842 130.9991 159.9559 763238.2261 -4.9723 -4.9043 PRESSURE: 2017000 113.314 -89.2685 69.4899 -89.2692 62.6374 161.813 69.4887 161.814 -4.62739 GPRESSURE: 2017000 262.636 -92.2422 126.396 -80.9415 11.9449 150.595 -13.3875 268.054 -9.11752 PRESSAVG: 2017000 4.87672 34.83 49.221 34.83 17.5511 24.6593 49.221 24.6593 2.00101 GPRESSAVG: 2017000 6.16348 33.9946 48.7394 36.8836 16.5972 24.6082 48.5966 27.2617 1.85204 TIMING: 2017000 CPU: 6438.13, 0.00318947/step Wall: 6438.13, 0.00318947/step, 2.64283 hours remaining, 241.523438 MB of memory in use. ENERGY: 2017000 3979.0991 20446.1153 14455.1808 256.4544 -203483.3991 2884.2741 0.0000 0.0000 52277.6607 -109184.6147 300.4404 -161462.2754 -108819.0982 299.1900 57.1080 88.4878 761273.8112 8.1430 8.2042 PRESSURE: 2017200 170.117 -129.43 398.533 -129.429 -296.976 283.267 398.534 283.266 -254.826 GPRESSURE: 2017200 180.125 -108.727 443.359 -92.2006 -289.328 213.212 341.084 201.162 -202.892 PRESSAVG: 2017200 55.7481 -42.6867 -21.837 -42.6866 -16.1798 19.6469 -21.837 19.6468 4.87368 GPRESSAVG: 2017200 55.239 -44.7498 -21.5161 -42.6577 -15.2822 18.9986 -21.5582 17.7312 4.54131 TIMING: 2017200 CPU: 6438.77, 0.00321345/step Wall: 6438.77, 0.00321345/step, 2.66252 hours remaining, 241.523438 MB of memory in use. ENERGY: 2017200 4050.4556 20736.1996 14375.1324 234.9853 -203487.8892 2664.3845 0.0000 0.0000 52187.8131 -109238.9187 299.9241 -161426.7318 -108877.8239 299.9066 -127.2284 -104.0317 760889.0102 14.8140 14.8327 PRESSURE: 2017400 84.6321 106.42 -204.54 106.42 -82.2592 -2.01634 -204.541 -2.01678 -350.473 GPRESSURE: 2017400 98.3553 134.827 -211.93 56.7603 75.4039 23.8111 -243.607 -45.9258 -425.351 PRESSAVG: 2017400 32.4527 -1.56103 -19.1828 -1.56106 -39.536 -2.43462 -19.1828 -2.43458 -8.72569 GPRESSAVG: 2017400 32.6967 -0.379608 -19.8732 -1.73605 -39.6654 -3.43505 -21.2968 -4.62024 -9.01938 TIMING: 2017400 CPU: 6439.41, 0.00320816/step Wall: 6439.41, 0.00320816/step, 2.65796 hours remaining, 241.523438 MB of memory in use. ENERGY: 2017400 3958.4001 20756.5356 14412.1611 230.7712 -202710.0390 2085.0640 0.0000 0.0000 51871.6590 -109395.4480 298.1071 -161267.1070 -109024.2905 299.7450 -116.0334 -83.8639 761349.9374 -5.2697 -5.3294 PRESSURE: 2017600 -292.392 40.4774 129.592 40.477 -393.783 76.3565 129.592 76.3551 -62.2223 GPRESSURE: 2017600 -259.817 109.823 110.913 39.3984 -333.747 163.366 0.610358 126.95 -64.1443 PRESSAVG: 2017600 -0.134452 22.897 -16.0287 22.8969 -21.7583 11.1852 -16.0287 11.1852 11.4604 GPRESSAVG: 2017600 -0.709245 22.3341 -15.9313 21.7423 -21.9927 11.5588 -13.3075 12.0424 11.9527 TIMING: 2017600 CPU: 6440.05, 0.00319852/step Wall: 6440.05, 0.00319852/step, 2.6498 hours remaining, 241.523438 MB of memory in use. ENERGY: 2017600 3981.3707 20273.0397 14361.4753 263.1815 -202915.9570 2318.6592 0.0000 0.0000 52099.2415 -109618.9892 299.4151 -161718.2307 -109255.6148 298.7461 -249.4660 -219.2359 763157.7361 -3.4774 -3.5831 PRESSURE: 2017800 134.785 -79.1395 19.0874 -79.14 268.267 18.9213 19.0873 18.9193 176.763 GPRESSURE: 2017800 117.128 -60.5581 -13.4863 -105.409 304.762 81.8919 98.4357 -53.1869 239.968 PRESSAVG: 2017800 -9.60043 -8.84778 17.7888 -8.84778 49.5189 29.1941 17.7887 29.1941 -5.78064 GPRESSAVG: 2017800 -9.52576 -7.26566 18.9042 -8.36348 49.0235 28.1809 17.2136 30.4648 -5.28914 TIMING: 2017800 CPU: 6440.69, 0.00317753/step Wall: 6440.69, 0.00317753/step, 2.63223 hours remaining, 241.523438 MB of memory in use. ENERGY: 2017800 3949.5107 20502.7459 14368.6101 266.9685 -203413.6894 2652.4668 0.0000 0.0000 51956.3314 -109717.0559 298.5938 -161673.3874 -109347.7082 299.0511 193.2715 220.6191 760328.3897 11.3793 11.4029 PRESSURE: 2018000 -49.7426 86.8449 92.7575 86.8453 -134.56 -0.338267 92.7572 -0.337743 -15.8222 GPRESSURE: 2018000 51.6664 53.4543 118.352 40.3669 -92.3927 3.81629 203.799 -109.588 -60.5242 PRESSAVG: 2018000 -18.685 -1.08146 5.78884 -1.0815 14.5552 61.1107 5.78885 61.1107 2.59131 GPRESSAVG: 2018000 -19.1418 -1.20497 4.72305 1.33524 15.8809 63.6945 5.64991 59.3871 1.33049 TIMING: 2018000 CPU: 6441.32, 0.00317056/step Wall: 6441.32, 0.00317056/step, 2.62628 hours remaining, 241.523438 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: 2018000 3987.5107 20522.0438 14378.0818 254.5433 -202861.9560 2257.1156 0.0000 0.0000 51943.0882 -109519.5726 298.5176 -161462.6608 -109161.8161 298.6007 -66.7082 -33.7501 761751.1413 -0.5128 -0.6435 PRESSURE: 2018200 6.19181 8.93992 66.8754 8.93956 -257.895 -58.7226 66.8755 -58.7238 -246.708 GPRESSURE: 2018200 143.944 4.09022 73.3358 -37.3269 -257.242 -14.4808 42.5976 99.1506 -324.418 PRESSAVG: 2018200 46.9772 6.81221 31.8068 6.81224 4.29304 7.86053 31.8069 7.86043 -2.31321 GPRESSAVG: 2018200 47.7393 5.38963 32.3782 2.03603 3.67552 7.95577 31.2777 7.68923 -2.51395 TIMING: 2018200 CPU: 6441.96, 0.00319407/step Wall: 6441.96, 0.00319407/step, 2.64558 hours remaining, 241.523438 MB of memory in use. ENERGY: 2018200 4036.1250 20715.0334 14347.4321 250.3678 -203357.1195 2562.5167 0.0000 0.0000 51919.2500 -109526.3945 298.3806 -161445.6445 -109155.8333 298.9195 -166.1368 -145.9054 761574.9915 16.3190 16.3003 PRESSURE: 2018400 -4.07446 159.455 13.6288 159.454 132.286 206.787 13.6291 206.787 -147.843 GPRESSURE: 2018400 76.1316 154.092 30.8175 125.049 133.142 131.362 -98.3796 61.9479 -150.938 PRESSAVG: 2018400 36.2576 -34.5569 2.63682 -34.5569 -26.1676 39.0094 2.63679 39.0094 17.6565 GPRESSAVG: 2018400 37.0076 -34.1221 2.07266 -31.8075 -26.8991 39.6564 1.54139 38.9987 17.7345 TIMING: 2018400 CPU: 6442.6, 0.00317897/step Wall: 6442.6, 0.00317896/step, 2.63289 hours remaining, 241.523438 MB of memory in use. ENERGY: 2018400 4074.5334 20480.7007 14468.7244 252.6585 -203950.3671 2833.6819 0.0000 0.0000 52258.0934 -109581.9748 300.3280 -161840.0682 -109213.5340 299.3276 -6.5439 19.4450 761005.5409 9.2488 9.2810 PRESSURE: 2018600 -105.066 116.641 -191.827 116.641 -497.561 -98.5538 -191.826 -98.555 -114.067 GPRESSURE: 2018600 -29.9487 98.3295 -147.636 9.34751 -495.518 32.6697 -3.96586 -70.492 -101.705 PRESSAVG: 2018600 12.6075 -70.779 -43.3961 -70.779 -45.8998 -13.6198 -43.3961 -13.6198 -2.85551 GPRESSAVG: 2018600 12.5303 -69.6839 -44.4451 -72.2558 -45.9983 -15.0717 -40.044 -14.3053 -2.39511 TIMING: 2018600 CPU: 6443.23, 0.00319148/step Wall: 6443.23, 0.00319148/step, 2.64308 hours remaining, 241.523438 MB of memory in use. ENERGY: 2018600 3975.8613 20734.5041 14390.3653 248.2636 -203194.5316 2248.8015 0.0000 0.0000 52060.4662 -109536.2695 299.1922 -161596.7357 -109174.2771 299.4679 -238.8981 -209.0570 760865.1281 -12.0493 -11.9543 PRESSURE: 2018800 -94.2466 222.782 118.989 222.782 -36.4349 -69.114 118.989 -69.1149 281.081 GPRESSURE: 2018800 -51.8216 133.279 146.634 327.252 14.2475 4.19217 125.083 -9.14427 275.442 PRESSAVG: 2018800 -1.38848 -16.1413 13.3912 -16.1413 -16.476 35.2019 13.3912 35.2019 -1.05116 GPRESSAVG: 2018800 -2.27778 -16.6349 13.0853 -15.8673 -15.802 35.9273 11.7327 35.4333 -0.505592 TIMING: 2018800 CPU: 6443.88, 0.00321319/step Wall: 6443.88, 0.00321319/step, 2.66087 hours remaining, 241.523438 MB of memory in use. ENERGY: 2018800 3938.2856 20642.5567 14411.9348 237.0089 -203130.1465 2385.1961 0.0000 0.0000 52064.3380 -109450.8265 299.2145 -161515.1644 -109093.9839 299.8490 50.1333 79.2893 760441.7270 -6.3052 -6.1951 PRESSURE: 2019000 -403.892 62.908 299.523 62.9073 -168.121 207.438 299.523 207.438 -222.447 GPRESSURE: 2019000 -313.076 -77.5855 333.729 -28.3608 -192.029 190.857 273.635 266.65 -202.377 PRESSAVG: 2019000 -14.7808 -12.9885 50.4402 -12.9885 -7.13036 32.9689 50.4401 32.9689 9.16208 GPRESSAVG: 2019000 -12.7561 -12.0613 50.4167 -13.0837 -7.46524 31.8257 50.7658 35.8777 8.03045 TIMING: 2019000 CPU: 6444.51, 0.0031875/step Wall: 6444.51, 0.0031875/step, 2.63943 hours remaining, 241.523438 MB of memory in use. ENERGY: 2019000 4012.7068 20578.2991 14423.3846 251.8277 -202995.0700 2006.0868 0.0000 0.0000 52141.3322 -109581.4327 299.6570 -161722.7650 -109221.1190 299.7345 -264.8201 -235.8273 761087.6803 -4.2497 -4.0636 PRESSURE: 2019200 150.656 9.35451 -145.485 9.35404 -68.0169 -13.4732 -145.487 -13.4729 33.8324 GPRESSURE: 2019200 138.345 105.714 -43.452 -106.896 5.22321 -34.6314 -238.937 -110.034 73.5015 PRESSAVG: 2019200 0.944879 -16.3636 25.6784 -16.3636 27.3873 39.2637 25.6784 39.2638 0.752369 GPRESSAVG: 2019200 1.04378 -15.6512 27.1666 -17.127 26.9444 38.6054 22.4249 37.4411 1.71489 TIMING: 2019200 CPU: 6445.15, 0.00317734/step Wall: 6445.15, 0.00317734/step, 2.63084 hours remaining, 241.523438 MB of memory in use. ENERGY: 2019200 3981.9113 20644.5520 14351.7907 258.7996 -203430.6761 2391.6409 0.0000 0.0000 52425.2740 -109376.7077 301.2888 -161801.9817 -109021.6656 299.5342 38.8238 72.3565 760115.0094 9.6948 9.9010 PRESSURE: 2019400 97.0205 18.7558 -13.797 18.757 -246.198 -182.171 -13.7965 -182.171 116.477 GPRESSURE: 2019400 64.7055 -97.7124 -62.5777 171.203 -29.1613 -184.425 167.098 -81.6688 35.8473 PRESSAVG: 2019400 -13.8462 -20.7474 -7.62265 -20.7474 35.4232 23.2764 -7.6226 23.2764 -0.222147 GPRESSAVG: 2019400 -16.2535 -22.3609 -8.20725 -17.5394 38.4437 23.7307 -4.83911 24.3147 -0.738493 TIMING: 2019400 CPU: 6445.79, 0.00317726/step Wall: 6445.79, 0.00317726/step, 2.6306 hours remaining, 241.523438 MB of memory in use. ENERGY: 2019400 3989.9431 20511.9299 14403.9294 224.5668 -203680.2264 2671.0436 0.0000 0.0000 52286.6089 -109592.2047 300.4919 -161878.8136 -109233.9976 300.1278 -10.9001 23.7972 758847.3308 7.1183 7.1506 PRESSURE: 2019600 -400.887 -106.049 46.7507 -106.049 -92.4787 21.8248 46.7504 21.8264 -170.276 GPRESSURE: 2019600 -278.457 -91.5683 78.7987 -20.5607 -159.078 6.90127 4.94385 -24.5563 -118.65 PRESSAVG: 2019600 -42.0503 -7.06433 -17.7835 -7.06431 64.3177 -27.5065 -17.7834 -27.5064 -22.6702 GPRESSAVG: 2019600 -41.8427 -6.68507 -20.1616 -9.31863 63.1564 -26.4063 -17.8887 -28.0108 -21.5983 TIMING: 2019600 CPU: 6446.42, 0.00316954/step Wall: 6446.42, 0.00316954/step, 2.62403 hours remaining, 241.523438 MB of memory in use. ENERGY: 2019600 4027.3785 20614.3681 14342.7588 240.8524 -203384.8211 2406.5059 0.0000 0.0000 52114.9551 -109638.0023 299.5054 -161752.9574 -109280.7574 299.0155 -221.2138 -185.3950 760941.9795 -0.1342 -0.0948 PRESSURE: 2019800 221.708 135.439 -12.0374 135.44 253.609 -31.2821 -12.0381 -31.2818 -161.518 GPRESSURE: 2019800 322.675 110.039 -28.2898 117.931 235.799 -1.98021 27.3018 -177.103 -148.025 PRESSAVG: 2019800 42.452 -43.1835 -102.157 -43.1835 -40.0019 -10.6071 -102.157 -10.6071 -19.8801 GPRESSAVG: 2019800 43.0327 -42.2466 -100.431 -44.0325 -41.1346 -10.2564 -102.568 -10.6128 -19.3837 TIMING: 2019800 CPU: 6447.05, 0.00317442/step Wall: 6447.05, 0.00317441/step, 2.62789 hours remaining, 241.523438 MB of memory in use. ENERGY: 2019800 4008.2702 20672.5893 14457.4162 235.4081 -203586.1202 2620.7766 0.0000 0.0000 52037.7303 -109553.9294 299.0616 -161591.6597 -109192.7736 299.4576 104.6000 136.8164 761468.0593 -5.8100 -5.8285 PRESSURE: 2020000 -365.302 -23.3459 17.3652 -23.3453 -82.5539 -76.333 17.3661 -76.3325 46.4962 GPRESSURE: 2020000 -322.208 -89.4578 -18.2969 122.769 -96.6278 -42.4709 34.2731 -57.1193 92.5343 PRESSAVG: 2020000 39.1326 -24.059 -28.3174 -24.059 -44.3331 28.1431 -28.3173 28.1432 -8.42621 GPRESSAVG: 2020000 38.349 -24.0324 -26.393 -22.6589 -43.582 29.0575 -30.2718 28.0643 -8.74629 TIMING: 2020000 CPU: 6447.69, 0.00317525/step Wall: 6447.69, 0.00317525/step, 2.6284 hours remaining, 241.523438 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: 2020000 4010.3549 20498.8530 14413.8899 261.4912 -203245.7230 2447.5533 0.0000 0.0000 51853.5865 -109759.9941 298.0033 -161613.5806 -109388.3294 299.5328 -133.7867 -108.7672 763201.3242 -4.5422 -4.6598 PRESSURE: 2020200 -388.377 60.6234 -175.352 60.6231 -187.256 5.76278 -175.351 5.76232 141.671 GPRESSURE: 2020200 -279.43 29.3092 -181.217 69.7064 -168.598 42.6781 -153.687 -42.7545 91.2017 PRESSAVG: 2020200 -62.1179 -45.3289 40.4206 -45.3289 37.5751 74.5982 40.4207 74.5982 9.06614 GPRESSAVG: 2020200 -60.0236 -44.523 39.4568 -45.4513 35.9342 72.7908 40.0422 73.5441 9.02501 TIMING: 2020200 CPU: 6448.33, 0.00318289/step Wall: 6448.33, 0.00318289/step, 2.63454 hours remaining, 241.523438 MB of memory in use. ENERGY: 2020200 4051.3041 20525.0381 14455.3905 251.8629 -203383.4341 2350.5124 0.0000 0.0000 52196.4583 -109552.8678 299.9738 -161749.3261 -109194.3871 299.2082 -144.6538 -118.9419 761008.8297 -5.1589 -5.0215 LDB: ============= START OF LOAD BALANCING ============== 6460.78 LDB: ============== END OF LOAD BALANCING =============== 6460.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6460.78 LDB: ============= START OF LOAD BALANCING ============== 6461.1 LDB: Largest compute 7024 load 0.035405 is 18.1% of average load 0.195201 LDB: Average compute 0.004366 is 2.2% of average load 0.195201 LDB: TIME 6461.1 LOAD: AVG 0.195201 MAX 0.215037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 6461.1 LOAD: AVG 0.195201 MAX 0.215037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 6461.1 LOAD: AVG 0.195201 MAX 0.215037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 6461.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6461.11 PRESSURE: 2020400 -87.2559 -37.5069 -104.391 -37.5075 138.599 -169.258 -104.391 -169.258 -189.853 GPRESSURE: 2020400 31.8634 -185.352 -13.4587 -112.861 170.291 -148.835 -100.895 -81.2491 -265.352 PRESSAVG: 2020400 12.5815 1.03303 40.3967 1.03301 -16.9796 -18.096 40.3967 -18.0959 11.9924 GPRESSAVG: 2020400 11.2356 -0.0122555 39.9331 0.727336 -13.8733 -17.449 40.9893 -16.8955 10.0512 TIMING: 2020400 CPU: 6448.98, 0.00324873/step Wall: 6448.98, 0.00324873/step, 2.68886 hours remaining, 240.039062 MB of memory in use. ENERGY: 2020400 3957.0087 20620.2692 14475.5429 245.8506 -203363.7821 2615.5107 0.0000 0.0000 52065.0783 -109384.5217 299.2187 -161449.6000 -109014.8277 299.1483 -46.1697 -21.0657 762512.6399 2.5314 2.4712 PRESSURE: 2020600 226.28 173.49 -88.0491 173.49 -206.877 224.713 -88.0477 224.712 -321.529 GPRESSURE: 2020600 209.194 132.939 -61.6162 95.5007 -180.113 187.432 -78.5829 170.681 -251.802 PRESSAVG: 2020600 -25.9009 -61.4633 18.1058 -61.4635 -51.3854 -54.1709 18.1058 -54.1708 -12.4856 GPRESSAVG: 2020600 -26.6857 -62.9519 18.0773 -60.1423 -51.7905 -54.6198 17.6367 -53.1582 -10.7874 TIMING: 2020600 CPU: 6449.61, 0.00319152/step Wall: 6449.61, 0.00319152/step, 2.64133 hours remaining, 240.039062 MB of memory in use. ENERGY: 2020600 4022.6875 20556.3088 14420.3985 263.3489 -203476.3039 2719.8415 0.0000 0.0000 52043.5720 -109450.1468 299.0951 -161493.7188 -109096.0590 299.1453 -100.7090 -74.2405 762961.6726 -29.9240 -29.7545 PRESSURE: 2020800 -194.492 -72.6441 -142.312 -72.6444 311.081 -82.8789 -142.311 -82.8789 -216.55 GPRESSURE: 2020800 -95.4761 -6.26332 -101.169 -46.793 273.069 -130.517 -228.265 -44.3418 -201.358 PRESSAVG: 2020800 38.5381 16.3001 8.06011 16.3002 -8.57174 49.7896 8.06006 49.7896 -33.6148 GPRESSAVG: 2020800 38.5094 19.6029 8.44099 14.2092 -7.89766 49.5349 9.07477 49.7525 -34.1543 TIMING: 2020800 CPU: 6450.25, 0.0031732/step Wall: 6450.25, 0.0031732/step, 2.626 hours remaining, 240.039062 MB of memory in use. ENERGY: 2020800 4016.4350 20668.2769 14420.7479 259.4801 -202975.0878 2218.6328 0.0000 0.0000 51915.9507 -109475.5645 298.3617 -161391.5152 -109122.5684 299.1781 -33.3202 -7.9217 759759.4746 -1.2162 -1.1808 PRESSURE: 2021000 -107.525 -1.08928 -12.5069 -1.08881 -126.107 64.8026 -12.5069 64.8028 64.2604 GPRESSURE: 2021000 -44.866 22.2941 -45.6041 88.2302 -95.6608 167.063 -6.42458 76.8193 63.6691 PRESSAVG: 2021000 -23.9924 -0.868268 31.2612 -0.868216 36.5526 28.839 31.2613 28.839 -14.7257 GPRESSAVG: 2021000 -22.9855 -2.57642 31.1386 -1.67651 35.0399 30.0424 31.5266 26.4788 -14.155 TIMING: 2021000 CPU: 6450.88, 0.00315199/step Wall: 6450.88, 0.00315199/step, 2.60827 hours remaining, 240.039062 MB of memory in use. ENERGY: 2021000 3965.5896 20589.9059 14472.8295 241.1380 -203476.4856 2511.3934 0.0000 0.0000 52029.4196 -109666.2096 299.0138 -161695.6292 -109311.6140 299.3462 -56.4574 -25.6192 761746.8659 -0.7218 -0.7002 PRESSURE: 2021200 -248.689 -77.8384 330.371 -77.8389 68.3485 239.282 330.371 239.283 137.705 GPRESSURE: 2021200 -201.487 -168.519 287.883 -37.7241 119.79 187.724 202.654 281.102 133.464 PRESSAVG: 2021200 -23.8609 9.08066 13.9485 9.08072 3.46222 55.4785 13.9485 55.4785 -1.78518 GPRESSAVG: 2021200 -24.4977 7.84876 12.8517 11.2014 4.58462 55.3761 12.6738 57.3671 -2.1135 TIMING: 2021200 CPU: 6451.51, 0.00317523/step Wall: 6451.51, 0.00317523/step, 2.62733 hours remaining, 240.039062 MB of memory in use. ENERGY: 2021200 3913.1443 20619.8383 14364.9844 262.4625 -203641.2158 2648.1396 0.0000 0.0000 52026.2730 -109806.3737 298.9957 -161832.6467 -109446.4362 298.6941 -14.2118 17.2552 760873.5870 -7.3946 -7.3422 PRESSURE: 2021400 -147.417 -250.12 -106.389 -250.12 351.224 -45.6993 -106.388 -45.6984 147.794 GPRESSURE: 2021400 -114.735 -236.021 -94.4703 -283.074 353.73 -91.6076 -21.9656 -21.0655 196.402 PRESSAVG: 2021400 -50.7631 -74.7724 39.2649 -74.7725 46.627 -17.2239 39.2649 -17.224 11.1209 GPRESSAVG: 2021400 -49.5918 -73.2225 40.5139 -75.8712 45.4006 -17.952 40.4537 -17.4835 11.1 TIMING: 2021400 CPU: 6452.15, 0.00316842/step Wall: 6452.15, 0.00316842/step, 2.62152 hours remaining, 240.039062 MB of memory in use. ENERGY: 2021400 3995.2713 20497.3700 14366.3867 264.0547 -203975.7550 2822.6953 0.0000 0.0000 52269.4660 -109760.5110 300.3933 -162029.9770 -109397.7935 298.6500 117.2004 145.1322 759760.8279 2.3282 2.3029 PRESSURE: 2021600 -300.851 -43.0972 40.4394 -43.0978 -96.717 -313.887 40.4391 -313.887 -213.577 GPRESSURE: 2021600 -299.485 -17.6105 5.24697 8.98079 -63.0241 -280.571 39.4654 -299.915 -180.454 PRESSAVG: 2021600 -72.3471 -65.0411 32.093 -65.0411 41.3096 12.6355 32.093 12.6355 -2.85992 GPRESSAVG: 2021600 -72.4946 -66.6415 31.5396 -63.2699 41.1276 12.6332 30.0016 12.7966 -2.27926 TIMING: 2021600 CPU: 6452.78, 0.00317604/step Wall: 6452.78, 0.00317604/step, 2.62764 hours remaining, 240.039062 MB of memory in use. ENERGY: 2021600 3957.6337 20443.8161 14372.5927 243.5263 -203278.1665 2465.3269 0.0000 0.0000 51961.3062 -109833.9645 298.6223 -161795.2707 -109464.5628 298.4372 -203.7150 -180.9876 762568.6838 -11.2992 -11.2154 PRESSURE: 2021800 -156.935 145.542 32.3722 145.542 11.1648 -70.235 32.3719 -70.2357 -480.522 GPRESSURE: 2021800 -170.055 69.9718 104.554 105.094 -18.4753 -109.581 11.1426 -7.50117 -362.767 PRESSAVG: 2021800 -10.0589 -55.2282 73.6158 -55.2282 -5.45079 -8.5296 73.6159 -8.52958 -2.08835 GPRESSAVG: 2021800 -10.4724 -52.4256 75.174 -58.4254 -5.5036 -8.74729 74.4502 -8.89685 -1.46428 TIMING: 2021800 CPU: 6453.42, 0.00317231/step Wall: 6453.42, 0.00317231/step, 2.62438 hours remaining, 240.039062 MB of memory in use. ENERGY: 2021800 3955.9161 20641.0407 14418.5774 269.1625 -203634.2281 2479.3052 0.0000 0.0000 52215.6889 -109654.5373 300.0843 -161870.2261 -109291.1639 298.8683 -208.7642 -183.7657 760891.4157 -5.8660 -5.8134 PRESSURE: 2022000 154.889 -96.0926 -98.0797 -96.0923 -246.325 -228.449 -98.0799 -228.449 177.221 GPRESSURE: 2022000 116.963 -88.3599 -58.055 -89.6424 -108.691 -161.784 -27.0456 -186.404 171.101 PRESSAVG: 2022000 -28.7651 -15.5451 9.36494 -15.5451 -12.5454 -18.0103 9.36497 -18.0103 -13.7026 GPRESSAVG: 2022000 -28.7547 -18.9595 7.39814 -12.4692 -11.4996 -18.651 10.4517 -17.916 -13.9807 TIMING: 2022000 CPU: 6454.06, 0.00320252/step Wall: 6454.06, 0.00320252/step, 2.6492 hours remaining, 240.039062 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: 2022000 3914.1102 20411.1550 14473.6018 221.3466 -203312.4651 2646.3497 0.0000 0.0000 51871.3650 -109774.5367 298.1054 -161645.9017 -109416.7140 298.9644 28.5953 59.7910 762157.8228 -18.3377 -18.0783 PRESSURE: 2022200 -531.162 -140.329 206.869 -140.329 13.7042 -40.8125 206.868 -40.8121 264.538 GPRESSURE: 2022200 -477.284 -112.375 178.65 -4.02241 61.9833 -14.8521 142.093 -38.3291 235.607 PRESSAVG: 2022200 12.3906 -9.13381 -9.67063 -9.13386 10.0355 -33.0213 -9.67066 -33.0212 15.7019 GPRESSAVG: 2022200 12.4091 -7.42704 -9.52564 -10.0286 9.53481 -31.5718 -11.5794 -32.5612 16.0954 TIMING: 2022200 CPU: 6454.7, 0.00320196/step Wall: 6454.7, 0.00320196/step, 2.64855 hours remaining, 240.039062 MB of memory in use. ENERGY: 2022200 3953.2013 20494.4093 14315.7529 247.2713 -203395.9200 2512.1458 0.0000 0.0000 52110.4311 -109762.7083 299.4794 -161873.1394 -109407.9062 298.7179 -84.3067 -59.8979 760996.7946 12.7093 12.6798 PRESSURE: 2022400 78.9346 -65.2619 71.6455 -65.2621 183.112 214.711 71.6456 214.711 -124.711 GPRESSURE: 2022400 123.277 24.9794 51.1151 -64.3615 238.313 212.402 217.173 149.42 -125.859 PRESSAVG: 2022400 -24.2289 26.1769 2.11981 26.1768 15.2388 35.9711 2.11977 35.9711 16.599 GPRESSAVG: 2022400 -24.3895 26.8845 2.82402 25.2645 16.2536 34.9223 3.70735 35.4232 15.7629 TIMING: 2022400 CPU: 6455.33, 0.00317841/step Wall: 6455.33, 0.00317841/step, 2.6289 hours remaining, 240.039062 MB of memory in use. ENERGY: 2022400 4018.7526 20521.0917 14359.3498 244.6105 -203792.8431 2841.5930 0.0000 0.0000 51924.1451 -109883.3004 298.4088 -161807.4455 -109524.5072 298.8709 45.7784 78.5769 761043.8834 2.5363 2.5423 PRESSURE: 2022600 110.458 -153.228 -159.509 -153.229 -419.243 55.748 -159.509 55.7477 -227.06 GPRESSURE: 2022600 15.8227 -182.66 -191.154 -161.131 -356.822 112.137 -237.904 0.32288 -117.887 PRESSAVG: 2022600 -42.2894 -52.6835 50.0466 -52.6835 19.1909 40.7599 50.0466 40.7598 20.8291 GPRESSAVG: 2022600 -42.4368 -53.2361 47.8226 -50.3901 19.9096 41.4545 48.6025 41.7789 19.9087 TIMING: 2022600 CPU: 6455.97, 0.00319629/step Wall: 6455.97, 0.00319629/step, 2.64351 hours remaining, 240.039062 MB of memory in use. ENERGY: 2022600 3977.7721 20581.6915 14342.6242 246.1984 -203204.8658 2412.5189 0.0000 0.0000 51900.0237 -109744.0371 298.2701 -161644.0608 -109383.8518 298.5104 -178.6150 -152.9624 762105.9311 -0.7564 -0.8728 PRESSURE: 2022800 188.844 -152.636 49.8011 -152.636 -98.5862 -28.047 49.8012 -28.0478 32.6978 GPRESSURE: 2022800 204.854 -78.1414 130.273 -221.1 0.00181762 -35.4283 32.8358 -25.2494 0.759747 PRESSAVG: 2022800 36.6792 -61.205 7.3996 -61.205 -19.6872 12.8622 7.39958 12.8622 2.3097 GPRESSAVG: 2022800 36.5926 -62.7932 10.3366 -60.8882 -20.2915 12.9299 7.61323 10.8625 2.76815 TIMING: 2022800 CPU: 6456.61, 0.00320395/step Wall: 6456.61, 0.00320395/step, 2.64966 hours remaining, 240.039062 MB of memory in use. ENERGY: 2022800 4013.6787 20599.4384 14501.7542 244.1544 -203563.9191 2520.0564 0.0000 0.0000 52175.2137 -109509.6233 299.8517 -161684.8369 -109143.8370 299.5660 40.9851 68.5386 760990.7358 6.4339 6.3564 PRESSURE: 2023000 -228.288 146.194 -4.25534 146.193 42.9234 2.7738 -4.25525 2.77443 -412.911 GPRESSURE: 2023000 -152.493 83.0078 -3.97827 60.7928 19.9044 55.8957 89.3747 50.5048 -395.885 PRESSAVG: 2023000 26.5687 -71.2222 -40.3972 -71.2222 16.0384 -0.709597 -40.3972 -0.709579 -4.69355 GPRESSAVG: 2023000 27.1121 -69.4376 -41.4088 -72.5898 15.0512 -1.436 -39.6263 0.146973 -3.9043 TIMING: 2023000 CPU: 6457.25, 0.00318788/step Wall: 6457.25, 0.00318788/step, 2.6362 hours remaining, 240.039062 MB of memory in use. ENERGY: 2023000 4044.1241 20410.4745 14403.8788 254.6942 -203268.7554 2295.4885 0.0000 0.0000 52209.9649 -109650.1304 300.0514 -161860.0953 -109278.5531 299.1910 -199.4253 -176.1579 760203.2057 12.6379 12.7530 PRESSURE: 2023200 427.575 -64.3437 -24.8341 -64.3427 -262.502 -248.491 -24.8344 -248.492 159.414 GPRESSURE: 2023200 358.804 -47.6949 -44.9454 -18.1985 -175.25 -320.385 -135.819 -238.906 206.528 PRESSAVG: 2023200 61.7395 -111.746 -23.2837 -111.746 -57.9599 18.7989 -23.2837 18.7988 -3.34747 GPRESSAVG: 2023200 61.6793 -111.238 -23.3039 -111.055 -57.428 19.2235 -22.5506 19.5504 -4.30922 TIMING: 2023200 CPU: 6457.89, 0.00318358/step Wall: 6457.89, 0.00318358/step, 2.63247 hours remaining, 240.039062 MB of memory in use. ENERGY: 2023200 3984.5739 20602.1814 14468.3348 229.7808 -203177.2932 2435.3115 0.0000 0.0000 52038.1216 -109418.9893 299.0638 -161457.1108 -109059.3146 299.6267 108.1625 130.0276 760485.3865 0.1440 -0.0193 PRESSURE: 2023400 -251.536 -15.3689 -178.387 -15.3687 -328.01 108.968 -178.386 108.967 -394.144 GPRESSURE: 2023400 -190.297 -120.917 -202.087 -27.3849 -287.608 91.7268 -280.175 111.605 -416.777 PRESSAVG: 2023400 97.1186 -31.3444 -55.7295 -31.3444 -60.1305 -7.97008 -55.7295 -7.9701 -10.2715 GPRESSAVG: 2023400 97.4685 -31.9835 -55.6544 -33.0063 -60.5975 -8.2616 -56.0215 -8.49637 -10.2189 TIMING: 2023400 CPU: 6458.53, 0.00321034/step Wall: 6458.53, 0.00321034/step, 2.65441 hours remaining, 240.039062 MB of memory in use. ENERGY: 2023400 4019.8156 20530.4235 14400.0010 232.0611 -202630.5648 1921.2233 0.0000 0.0000 51936.2540 -109590.7862 298.4784 -161527.0402 -109233.4491 299.1256 -324.5634 -298.2274 762717.4191 8.9055 8.8840 PRESSURE: 2023600 9.57122 -153.562 191.444 -153.563 -65.7179 -142.227 191.444 -142.227 12.9855 GPRESSURE: 2023600 168.131 -79.6428 141.983 -118.2 -162.12 -182.728 161.821 -151.747 12.2394 PRESSAVG: 2023600 27.1531 -18.1432 12.703 -18.1432 -15.5322 -23.9727 12.703 -23.9727 4.84922 GPRESSAVG: 2023600 27.0211 -16.9164 12.121 -19.1929 -15.1572 -24.9536 10.4469 -22.4982 4.88399 TIMING: 2023600 CPU: 6459.17, 0.00321114/step Wall: 6459.17, 0.00321114/step, 2.6549 hours remaining, 240.039062 MB of memory in use. ENERGY: 2023600 3998.8354 20611.5025 14499.8851 243.9522 -203677.1507 2650.5828 0.0000 0.0000 52003.1859 -109669.2068 298.8630 -161672.3927 -109309.1618 299.5771 -14.3871 6.0835 760816.0356 5.4900 5.5826 PRESSURE: 2023800 -173.158 -18.6036 -141.416 -18.6047 67.0122 -23.0651 -141.416 -23.0663 65.8593 GPRESSURE: 2023800 -51.693 41.4642 -75.8194 -65.6298 58.0522 72.6517 -194.625 -1.48274 56.6824 PRESSAVG: 2023800 9.98336 -7.07325 -4.45847 -7.07327 47.3737 -22.0343 -4.45846 -22.0343 4.44523 GPRESSAVG: 2023800 10.5204 -9.56427 -4.11761 -4.53649 45.92 -20.4369 -1.96092 -21.6897 5.70851 TIMING: 2023800 CPU: 6459.81, 0.00320896/step Wall: 6459.81, 0.00320896/step, 2.65292 hours remaining, 240.039062 MB of memory in use. ENERGY: 2023800 4006.8984 20586.5083 14387.9517 251.0272 -203160.6122 2430.1314 0.0000 0.0000 51953.5535 -109544.5417 298.5778 -161498.0952 -109183.1645 299.4331 -13.4287 21.0139 760932.5468 20.6008 20.7163 PRESSURE: 2024000 62.8746 -10.5087 39.4771 -10.5081 217.4 209.328 39.4775 209.329 -126.801 GPRESSURE: 2024000 53.4254 -40.6433 68.108 -81.6476 274.972 74.3188 23.0833 122.708 -91.9548 PRESSAVG: 2024000 -31.3748 -43.6398 -9.34361 -43.6399 31.063 1.81627 -9.34358 1.81629 -3.86613 GPRESSAVG: 2024000 -32.2932 -44.2465 -9.10021 -45.5861 32.3313 2.15225 -10.3084 -0.656977 -4.52651 TIMING: 2024000 CPU: 6460.45, 0.00320292/step Wall: 6460.45, 0.00320292/step, 2.64774 hours remaining, 240.039062 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: 2024000 3960.4251 20586.4741 14423.7933 266.6899 -203604.4003 2752.9188 0.0000 0.0000 52031.1598 -109582.9392 299.0238 -161614.0991 -109218.8424 299.2707 51.1577 78.8142 760053.6949 -1.3927 -1.4961 PRESSURE: 2024200 -62.1436 117.004 -3.89915 117.003 77.6554 -103.08 -3.89889 -103.08 -26.2979 GPRESSURE: 2024200 7.92523 138.543 -66.536 25.1158 62.4912 -76.6797 -20.6831 -140.919 23.7921 PRESSAVG: 2024200 -38.8509 -14.8038 -3.33976 -14.8038 -13.8514 4.71153 -3.33977 4.71153 6.17443 GPRESSAVG: 2024200 -39.749 -12.8529 -5.09255 -14.0382 -13.3682 5.22766 -3.54647 4.04267 7.09901 TIMING: 2024200 CPU: 6461.09, 0.00318759/step Wall: 6461.09, 0.00318759/step, 2.6349 hours remaining, 240.039062 MB of memory in use. ENERGY: 2024200 4032.7438 20496.7540 14420.7132 226.0129 -203771.4007 2699.1324 0.0000 0.0000 52351.8349 -109544.2095 300.8667 -161896.0444 -109179.3684 299.0158 -3.5954 31.4028 760439.7690 -15.5093 -15.3394 LDB: ============= START OF LOAD BALANCING ============== 6473.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6473.55 LDB: =============== DONE WITH MIGRATION ================ 6473.55 LDB: ============= START OF LOAD BALANCING ============== 6473.87 LDB: Largest compute 7024 load 0.035773 is 18.3% of average load 0.195151 LDB: Average compute 0.004391 is 2.2% of average load 0.195151 LDB: TIME 6473.87 LOAD: AVG 0.195151 MAX 0.217205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 6473.87 LOAD: AVG 0.195151 MAX 0.217205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 6473.87 LOAD: AVG 0.195151 MAX 0.217205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 6473.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6473.88 PRESSURE: 2024400 -14.5163 -63.3988 -141.46 -63.3991 -16.3916 217.458 -141.46 217.458 394.252 GPRESSURE: 2024400 -38.3706 -163.176 -116.158 -53.6776 111.155 136.063 -220.666 300.201 394.908 PRESSAVG: 2024400 -9.37142 -55.2978 -36.797 -55.2978 -2.59266 35.0576 -36.797 35.0576 -16.6476 GPRESSAVG: 2024400 -8.64249 -57.1711 -34.6237 -52.7697 -2.35407 33.5096 -36.6123 36.3126 -17.8229 TIMING: 2024400 CPU: 6461.75, 0.00326544/step Wall: 6461.75, 0.00326544/step, 2.69906 hours remaining, 240.808594 MB of memory in use. ENERGY: 2024400 4028.3026 20595.5732 14437.2005 257.1841 -203769.8480 2817.9632 0.0000 0.0000 52097.5441 -109536.0802 299.4053 -161633.6244 -109172.3908 299.1260 121.1147 155.8974 761472.7713 -9.5372 -9.6065 PRESSURE: 2024600 -214.561 232.563 -197.893 232.562 117.538 -93.4499 -197.892 -93.4498 -80.1292 GPRESSURE: 2024600 -225.87 124.506 -178.669 182.977 166.764 -101.763 -80.5957 -37.0537 -3.70117 PRESSAVG: 2024600 -53.3705 -25.3377 -9.59452 -25.3377 54.6924 2.58773 -9.59445 2.58761 3.59714 GPRESSAVG: 2024600 -54.0254 -23.7234 -11.3958 -29.0345 53.1524 4.14267 -7.93423 1.74226 5.67129 TIMING: 2024600 CPU: 6462.38, 0.00319172/step Wall: 6462.38, 0.00319172/step, 2.63795 hours remaining, 241.011719 MB of memory in use. ENERGY: 2024600 3974.8333 20557.1903 14446.6619 261.8710 -203445.7483 2720.7297 0.0000 0.0000 51709.9097 -109774.5524 297.1776 -161484.4620 -109418.4487 298.7083 -59.0507 -20.9357 761517.4266 1.6397 1.5994 PRESSURE: 2024800 -308.22 -58.8667 18.4466 -58.8671 -85.1178 272.162 18.4467 272.161 -436.489 GPRESSURE: 2024800 -306.099 -187.747 27.7738 137.755 -62.7911 268.716 -6.5637 167.883 -388.623 PRESSAVG: 2024800 -49.2533 18.2805 -27.8273 18.2805 42.3692 -8.6804 -27.8273 -8.68044 -7.27299 GPRESSAVG: 2024800 -48.5043 16.3749 -25.3143 20.4395 43.2325 -9.51933 -29.4519 -9.69234 -8.68005 TIMING: 2024800 CPU: 6463.02, 0.00320346/step Wall: 6463.02, 0.00320346/step, 2.64748 hours remaining, 241.011719 MB of memory in use. ENERGY: 2024800 3973.1989 20598.0186 14429.7728 259.4113 -203501.1161 2522.0085 0.0000 0.0000 52066.5611 -109652.1450 299.2272 -161718.7060 -109279.3394 298.5290 -276.6089 -252.5043 761727.0062 -4.7190 -4.6506 PRESSURE: 2025000 335.382 -97.1815 -88.5091 -97.1813 -109.665 -107.322 -88.509 -107.321 -179.786 GPRESSURE: 2025000 347.926 -201.704 -43.5641 -20.6603 40.0229 -153.174 -66.2016 -112.907 -251.521 PRESSAVG: 2025000 -5.4523 -0.864497 -2.78937 -0.864541 12.5559 -10.817 -2.78942 -10.817 19.8911 GPRESSAVG: 2025000 -6.82416 1.04507 -3.9588 -2.0745 13.5437 -9.28475 -1.8385 -10.1571 20.2516 TIMING: 2025000 CPU: 6463.66, 0.00317945/step Wall: 6463.66, 0.00317945/step, 2.62746 hours remaining, 241.011719 MB of memory in use. ENERGY: 2025000 4015.2587 20436.5232 14400.5357 245.3078 -203669.1736 2806.9270 0.0000 0.0000 51996.6408 -109767.9805 298.8254 -161764.6213 -109401.7950 298.4753 15.3102 45.4760 760901.9017 8.9982 8.9904 PRESSURE: 2025200 98.4802 -12.694 105.818 -12.6937 147.38 -153.556 105.818 -153.555 332.411 GPRESSURE: 2025200 174.736 -54.2436 -33.2688 45.9272 104.056 -137.714 -2.50799 -197.445 381.357 PRESSAVG: 2025200 10.8876 -20.4034 -28.4468 -20.4034 -14.3971 -39.1826 -28.4467 -39.1826 -13.1317 GPRESSAVG: 2025200 11.6781 -22.3758 -29.2335 -19.4227 -14.6514 -39.8294 -29.6549 -39.191 -14.0726 TIMING: 2025200 CPU: 6464.3, 0.00321437/step Wall: 6464.3, 0.00321437/step, 2.65614 hours remaining, 241.011719 MB of memory in use. ENERGY: 2025200 3885.6777 20580.4646 14419.8170 258.5362 -203720.1428 2739.0033 0.0000 0.0000 52086.3538 -109750.2903 299.3410 -161836.6440 -109377.4453 298.7008 192.7571 220.0498 761138.8930 -5.5471 -5.6819 PRESSURE: 2025400 128.634 -81.0515 -175.752 -81.0513 389.723 35.0152 -175.753 35.0155 421.43 GPRESSURE: 2025400 258.227 -114.083 -263.918 -39.9578 342.879 80.5633 -215.34 20.3418 420.517 PRESSAVG: 2025400 -43.6506 -5.72452 -57.7389 -5.72454 41.9789 -39.8118 -57.7389 -39.8118 -3.89416 GPRESSAVG: 2025400 -42.1746 -4.19173 -57.2971 -6.00443 39.8836 -40.5858 -57.5963 -38.1612 -3.06688 TIMING: 2025400 CPU: 6464.94, 0.00318769/step Wall: 6464.94, 0.00318769/step, 2.63392 hours remaining, 241.011719 MB of memory in use. ENERGY: 2025400 3893.1675 20697.0477 14398.0393 230.1964 -203935.8499 2787.9542 0.0000 0.0000 52171.4115 -109758.0333 299.8298 -161929.4448 -109396.8551 298.8327 313.2622 340.5407 760990.6021 -1.8553 -1.7860 PRESSURE: 2025600 -223.956 204.953 146.821 204.954 -210.645 141.139 146.821 141.14 -314.803 GPRESSURE: 2025600 -183.992 196.655 140.219 150.81 -182.509 72.7509 115.542 239.546 -320.076 PRESSAVG: 2025600 2.90598 -68.1455 -52.5924 -68.1455 5.50165 38.6709 -52.5923 38.6708 13.4943 GPRESSAVG: 2025600 2.10348 -70.7203 -52.7186 -68.5163 7.45571 39.3066 -54.168 38.937 12.3458 TIMING: 2025600 CPU: 6465.58, 0.00319624/step Wall: 6465.58, 0.00319624/step, 2.6408 hours remaining, 241.011719 MB of memory in use. ENERGY: 2025600 4016.2913 20492.2201 14533.8090 251.2247 -203508.9808 2589.8276 0.0000 0.0000 51745.6656 -109879.9425 297.3831 -161625.6081 -109511.9439 298.3966 -249.8014 -228.8588 762749.8515 7.3006 7.3017 PRESSURE: 2025800 -58.1955 66.9211 -180.639 66.9191 -454.626 -322.394 -180.64 -322.396 130.854 GPRESSURE: 2025800 -3.25808 126.151 -134.483 120.015 -375.078 -412.591 -192.749 -283.537 75.0966 PRESSAVG: 2025800 40.8583 -26.6148 -22.1333 -26.6148 -43.3065 1.04748 -22.1332 1.04751 -11.0196 GPRESSAVG: 2025800 40.5901 -22.9781 -19.1998 -27.544 -44.074 -0.310466 -22.0246 -0.105239 -10.3421 TIMING: 2025800 CPU: 6466.22, 0.0031914/step Wall: 6466.22, 0.0031914/step, 2.63663 hours remaining, 241.011719 MB of memory in use. ENERGY: 2025800 4000.1930 20536.2235 14437.1768 246.4319 -203458.1182 2495.9002 0.0000 0.0000 51989.6132 -109752.5798 298.7850 -161742.1930 -109380.5670 298.5479 -127.3226 -101.0799 761847.7350 -4.4893 -4.6086 PRESSURE: 2026000 71.9467 -21.1222 27.2095 -21.123 -48.007 21.764 27.2083 21.7636 49.9975 GPRESSURE: 2026000 85.7393 -84.7347 -33.1637 68.6668 -41.9417 38.3863 48.2827 -151.244 105.549 PRESSAVG: 2026000 33.6933 -54.6083 -44.1188 -54.6084 -40.4543 -74.667 -44.1189 -74.6669 11.4135 GPRESSAVG: 2026000 32.9626 -56.7403 -45.6073 -54.601 -40.805 -74.0729 -42.9839 -75.0359 11.9128 TIMING: 2026000 CPU: 6466.86, 0.00319482/step Wall: 6466.86, 0.00319482/step, 2.63927 hours remaining, 241.011719 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: 2026000 3982.8486 20474.3090 14460.7587 234.4219 -203804.7615 2754.8117 0.0000 0.0000 52241.2499 -109656.3618 300.2312 -161897.6117 -109295.7965 298.7188 24.6457 49.7822 759789.2580 1.5508 1.3568 PRESSURE: 2026200 -133.77 11.9964 59.2897 11.9958 -33.6599 6.15118 59.2906 6.15128 106.543 GPRESSURE: 2026200 -169.852 5.52871 53.506 -49.7999 27.071 7.60752 101.792 5.63897 169.959 PRESSAVG: 2026200 -0.0876427 -42.3992 -8.66338 -42.3992 -0.901385 25.7668 -8.66346 25.7667 6.84503 GPRESSAVG: 2026200 0.943949 -41.1242 -10.6629 -42.1213 -1.24898 24.723 -6.58985 26.7438 6.8863 TIMING: 2026200 CPU: 6467.49, 0.00318718/step Wall: 6467.49, 0.00318718/step, 2.63279 hours remaining, 241.011719 MB of memory in use. ENERGY: 2026200 3955.0945 20510.5318 14401.8836 261.4152 -203553.6053 2666.3622 0.0000 0.0000 52159.2634 -109599.0545 299.7600 -161758.3179 -109242.0164 299.2008 -20.2956 9.0595 761173.1621 1.9520 2.1938 PRESSURE: 2026400 30.3185 -22.2293 -14.4564 -22.2294 -172.534 -40.0851 -14.4558 -40.0848 -211.088 GPRESSURE: 2026400 110.103 -5.66899 -44.6668 42.4734 -186.569 -56.7902 -31.3872 -28.7463 -189.973 PRESSAVG: 2026400 -31.8548 -41.8365 3.41055 -41.8365 31.3853 38.6156 3.41058 38.6156 15.462 GPRESSAVG: 2026400 -32.4975 -41.762 4.71527 -42.1268 32.0046 37.9476 3.66759 39.0175 15.5833 TIMING: 2026400 CPU: 6468.13, 0.00317318/step Wall: 6468.13, 0.00317318/step, 2.62105 hours remaining, 241.011719 MB of memory in use. ENERGY: 2026400 4002.5885 20475.2225 14377.9987 230.2467 -203481.1408 2792.7323 0.0000 0.0000 51933.8667 -109668.4855 298.4646 -161602.3522 -109303.9719 298.7422 -117.7677 -88.8131 762803.6220 4.9975 5.0301 PRESSURE: 2026600 -387.175 -152.677 1.51472 -152.677 -297.178 -229.595 1.51455 -229.595 -190.106 GPRESSURE: 2026600 -253.192 -116.77 -39.1933 -222.118 -377.754 -203.04 21.0406 -206.493 -147.413 PRESSAVG: 2026600 -19.5941 -21.9504 -43.5182 -21.9504 -6.00622 69.9659 -43.5181 69.966 -30.1742 GPRESSAVG: 2026600 -18.3154 -22.4336 -44.1774 -20.0335 -7.50152 73.2897 -43.9357 67.1174 -29.7817 TIMING: 2026600 CPU: 6468.77, 0.00318458/step Wall: 6468.77, 0.00318458/step, 2.63028 hours remaining, 241.011719 MB of memory in use. ENERGY: 2026600 3965.0895 20521.4447 14433.6672 259.7910 -203673.5381 2813.1709 0.0000 0.0000 52297.3700 -109383.0048 300.5537 -161680.3749 -109019.2211 298.7626 -291.4866 -259.4529 763166.3840 -18.5915 -18.5329 PRESSURE: 2026800 -400.681 -111.96 -11.9333 -111.959 -275.464 32.9927 -11.9328 32.9924 152.994 GPRESSURE: 2026800 -391.465 -172.086 -103.162 25.9258 -212.329 -15.6215 87.457 57.128 161.541 PRESSAVG: 2026800 -10.7412 -20.5004 23.4776 -20.5004 4.70132 2.97559 23.4776 2.97554 -2.29938 GPRESSAVG: 2026800 -11.5663 -19.6878 25.02 -21.6625 6.03261 0.837197 22.5545 3.0054 -2.92888 TIMING: 2026800 CPU: 6469.41, 0.00321381/step Wall: 6469.41, 0.00321381/step, 2.65425 hours remaining, 241.011719 MB of memory in use. ENERGY: 2026800 3980.9583 20569.2362 14364.4106 244.4064 -202907.4978 2494.4705 0.0000 0.0000 52049.6186 -109204.3972 299.1299 -161254.0158 -108836.3368 299.4884 -174.3838 -147.4175 763956.8250 -2.7797 -2.8208 PRESSURE: 2027000 -79.2227 -122.735 80.3371 -122.734 -213.273 47.3379 80.3366 47.3366 -28.9663 GPRESSURE: 2027000 -71.5421 1.76913 112.23 -225.736 -119.385 64.9588 -36.6373 40.1303 -40.8059 PRESSAVG: 2027000 17.1062 9.13356 -46.9787 9.13356 16.1401 32.0968 -46.9786 32.0968 -4.1859 GPRESSAVG: 2027000 16.4116 8.34455 -48.2236 8.71847 17.2546 31.8226 -47.862 35.3015 -4.43949 TIMING: 2027000 CPU: 6470.05, 0.00321313/step Wall: 6470.05, 0.00321313/step, 2.65351 hours remaining, 241.011719 MB of memory in use. ENERGY: 2027000 4012.8211 20441.1296 14396.5853 255.2388 -203219.3597 2666.2653 0.0000 0.0000 52198.8136 -109248.5060 299.9873 -161447.3196 -108888.6733 300.0804 -107.1539 -77.2443 764435.3451 9.6868 9.7422 PRESSURE: 2027200 -65.9164 -133.753 182.651 -133.754 204.141 -151.056 182.651 -151.057 -324.672 GPRESSURE: 2027200 7.16936 -202.389 186.924 -16.9169 226.815 -229.649 83.5128 -161.118 -356.92 PRESSAVG: 2027200 32.1075 -17.6119 9.65045 -17.6119 -45.9895 14.4846 9.65049 14.4846 -0.347929 GPRESSAVG: 2027200 32.9967 -17.6776 8.17336 -16.8908 -47.2831 15.7128 11.5126 11.4334 -0.082173 TIMING: 2027200 CPU: 6470.69, 0.00320584/step Wall: 6470.69, 0.00320584/step, 2.64732 hours remaining, 241.011719 MB of memory in use. ENERGY: 2027200 3999.3034 20614.1215 14540.0576 272.2168 -203106.7396 2580.9624 0.0000 0.0000 51991.4969 -109108.5811 298.7958 -161100.0780 -108747.1242 299.6840 -62.1491 -40.9786 763132.8769 -4.7433 -4.7895 PRESSURE: 2027400 -117.621 -5.41397 -34.3152 -5.41472 -161.538 123.86 -34.3159 123.861 121.299 GPRESSURE: 2027400 -86.0222 -7.48569 -16.3616 29.127 -148.887 65.7193 -11.3071 228.12 156.254 PRESSAVG: 2027400 61.0368 -29.5892 -35.3665 -29.5892 -63.8242 -19.1138 -35.3665 -19.1138 -9.3977 GPRESSAVG: 2027400 60.3312 -30.5903 -32.666 -28.8418 -63.4583 -20.5909 -36.3598 -17.6089 -9.14954 TIMING: 2027400 CPU: 6471.34, 0.00322401/step Wall: 6471.34, 0.00322401/step, 2.66213 hours remaining, 241.011719 MB of memory in use. ENERGY: 2027400 4048.9981 20734.8357 14449.3503 261.2203 -203009.9417 2474.5476 0.0000 0.0000 51806.8387 -109234.1511 297.7346 -161040.9897 -108879.2423 299.5225 -52.6199 -26.2183 762283.8564 -4.0617 -4.0922 PRESSURE: 2027600 -162.268 34.3306 -142.154 34.3303 17.3427 -43.1291 -142.154 -43.1287 91.5393 GPRESSURE: 2027600 -203.703 -110.95 -116.206 67.2856 70.8871 -10.0867 -8.52464 -26.3561 163.332 PRESSAVG: 2027600 74.4275 -24.8693 -31.5979 -24.8693 -59.3052 7.22589 -31.5979 7.22582 -6.40451 GPRESSAVG: 2027600 74.0387 -24.3438 -32.8939 -25.8692 -59.311 8.89874 -32.533 7.35431 -5.62143 TIMING: 2027600 CPU: 6471.98, 0.00320337/step Wall: 6471.98, 0.00320337/step, 2.64492 hours remaining, 241.011719 MB of memory in use. ENERGY: 2027600 3969.0418 20600.9561 14451.6670 241.7187 -203033.8695 2463.3335 0.0000 0.0000 51877.1631 -109429.9894 298.1388 -161307.1525 -109066.8873 299.5358 -17.7952 10.1720 762525.7864 2.9059 3.0354 PRESSURE: 2027800 -116.599 -60.2519 264.595 -60.2516 -334.498 49.7194 264.595 49.7193 23.4741 GPRESSURE: 2027800 -99.2892 -74.4403 252.584 -72.9978 -222.303 84.3302 357.887 49.705 -4.64515 PRESSAVG: 2027800 37.3632 -19.9138 9.52862 -19.9139 -44.4775 -10.4874 9.52868 -10.4874 10.135 GPRESSAVG: 2027800 37.4332 -19.5004 10.2695 -20.6237 -43.8769 -11.199 9.54542 -10.3942 9.63992 TIMING: 2027800 CPU: 6472.62, 0.00319326/step Wall: 6472.62, 0.00319326/step, 2.63639 hours remaining, 241.011719 MB of memory in use. ENERGY: 2027800 3963.1469 20452.1483 14399.6760 218.0226 -203326.7251 2622.3717 0.0000 0.0000 52227.9625 -109443.3970 300.1548 -161671.3595 -109071.5767 299.3247 -142.5408 -108.7459 763138.6263 1.0069 1.0654 PRESSURE: 2028000 -516.549 80.8398 -89.9485 80.8401 -342.341 -113.894 -89.9471 -113.895 -82.6421 GPRESSURE: 2028000 -438.208 39.5939 -20.9671 36.3475 -271.065 -95.2398 -53.5201 -183.164 -173.219 PRESSAVG: 2028000 -37.825 -14.745 -5.0866 -14.745 10.9832 0.874781 -5.08658 0.874797 1.81169 GPRESSAVG: 2028000 -37.2391 -15.7564 -2.96182 -15.6277 10.6591 1.53819 -5.81342 1.52042 1.6122 TIMING: 2028000 CPU: 6473.26, 0.0032071/step Wall: 6473.26, 0.0032071/step, 2.64764 hours remaining, 241.011719 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: 2028000 4018.3118 20670.0334 14422.2713 233.8933 -203546.4343 2500.5643 0.0000 0.0000 52188.4136 -109512.9466 299.9275 -161701.3601 -109151.8016 299.5664 -313.8440 -294.1639 762748.5634 -8.3434 -8.3226 PRESSURE: 2028200 314.905 44.8543 114.828 44.8544 40.2859 49.8152 114.828 49.8163 -351.533 GPRESSURE: 2028200 244.753 46.4015 133.942 58.6036 139.122 22.0802 140.88 -24.9981 -287.699 PRESSAVG: 2028200 23.4689 32.0336 -12.3409 32.0336 -31.6591 -36.6669 -12.3409 -36.6669 16.2541 GPRESSAVG: 2028200 24.0128 35.1377 -13.8429 32.112 -31.908 -36.3448 -9.30445 -38.2341 16.9134 TIMING: 2028200 CPU: 6473.9, 0.00318741/step Wall: 6473.9, 0.00318741/step, 2.63121 hours remaining, 241.011719 MB of memory in use. ENERGY: 2028200 3955.2686 20518.9411 14409.2833 223.8751 -203588.6874 2807.8260 0.0000 0.0000 52130.8380 -109542.6552 299.5966 -161673.4932 -109176.0521 299.8027 1.2192 32.0587 761132.2551 2.6879 3.0061 LDB: ============= START OF LOAD BALANCING ============== 6486.35 LDB: ============== END OF LOAD BALANCING =============== 6486.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6486.35 LDB: ============= START OF LOAD BALANCING ============== 6486.67 LDB: Largest compute 7024 load 0.036091 is 18.5% of average load 0.195033 LDB: Average compute 0.004392 is 2.3% of average load 0.195033 LDB: TIME 6486.67 LOAD: AVG 0.195033 MAX 0.218171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.16 MB LDB: TIME 6486.67 LOAD: AVG 0.195033 MAX 0.218171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.16 MB LDB: TIME 6486.67 LOAD: AVG 0.195033 MAX 0.215432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.16 MB LDB: ============== END OF LOAD BALANCING =============== 6486.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6486.68 PRESSURE: 2028400 -31.0049 -234.381 -164.196 -234.381 95.4959 80.1091 -164.196 80.1097 -117.163 GPRESSURE: 2028400 -15.9897 -230.522 -258.902 -51.7715 141.771 120.166 3.6308 39.1773 -97.3227 PRESSAVG: 2028400 36.7234 -30.7308 12.1045 -30.7308 -1.97517 -6.5018 12.1045 -6.50181 -0.463951 GPRESSAVG: 2028400 35.2518 -31.8335 11.7829 -30.4995 -1.12202 -7.29529 11.9882 -5.8009 0.162925 TIMING: 2028400 CPU: 6474.54, 0.00324555/step Wall: 6474.54, 0.00324555/step, 2.67902 hours remaining, 240.097656 MB of memory in use. ENERGY: 2028400 4004.9251 20617.1233 14407.9040 249.2815 -203409.8646 2555.0421 0.0000 0.0000 51968.8818 -109606.7067 298.6659 -161575.5885 -109251.2973 299.1025 -17.5574 9.4861 762593.3883 11.4281 11.4309 PRESSURE: 2028600 172.713 -99.5482 540.987 -99.5496 317.147 -110.985 540.986 -110.984 200.978 GPRESSURE: 2028600 227.814 -126.695 575.65 -74.0987 359.93 -131.76 280.873 -8.5055 202.622 PRESSAVG: 2028600 61.4573 5.34648 22.344 5.34649 -65.5293 -14.566 22.3441 -14.566 -8.45346 GPRESSAVG: 2028600 62.1581 3.97186 23.0142 6.08668 -65.8738 -14.3716 19.8351 -13.0404 -8.7285 TIMING: 2028600 CPU: 6475.19, 0.00322764/step Wall: 6475.19, 0.00322764/step, 2.66406 hours remaining, 240.097656 MB of memory in use. ENERGY: 2028600 3888.2488 20428.5343 14463.5139 229.6072 -203764.6041 2901.0785 0.0000 0.0000 52250.0930 -109603.5283 300.2820 -161853.6214 -109240.1356 299.3005 230.2789 263.4553 762660.6845 -4.1752 -4.1481 PRESSURE: 2028800 -211.433 68.0499 94.1957 68.0496 -143.711 228.42 94.1957 228.421 -61.5556 GPRESSURE: 2028800 -173.1 29.5882 120.542 28.2389 -95.0437 260.843 141.465 104.377 -45.4996 PRESSAVG: 2028800 68.0078 0.338535 -5.19058 0.338615 -36.849 8.76225 -5.1905 8.76229 3.20168 GPRESSAVG: 2028800 67.1981 0.259205 -5.83903 1.99524 -37.5753 7.66242 -4.5371 6.50036 4.52916 TIMING: 2028800 CPU: 6475.83, 0.00319003/step Wall: 6475.83, 0.00319003/step, 2.63284 hours remaining, 240.097656 MB of memory in use. ENERGY: 2028800 3949.5900 20513.5737 14425.1950 263.2618 -203458.2173 2682.8958 0.0000 0.0000 52019.5119 -109604.1892 298.9569 -161623.7011 -109234.9135 299.0871 -138.9001 -104.5479 762615.2937 11.4535 11.3840 PRESSURE: 2029000 -108.812 202.571 -88.0294 202.57 -220.083 63.6051 -88.0295 63.6056 -356.611 GPRESSURE: 2029000 -13.2867 78.2398 -84.9544 180.979 -245.078 -9.76956 -147.323 -3.03854 -369.389 PRESSAVG: 2029000 -1.63399 9.10467 8.41876 9.10471 -49.8918 58.9195 8.41873 58.9194 -0.602254 GPRESSAVG: 2029000 -2.30393 10.0683 8.29626 7.90966 -50.0027 60.0825 9.53325 59.6347 -0.300427 TIMING: 2029000 CPU: 6476.47, 0.00320365/step Wall: 6476.47, 0.00320366/step, 2.64391 hours remaining, 240.097656 MB of memory in use. ENERGY: 2029000 4030.1886 20464.7442 14476.7574 236.5637 -203366.2662 2494.8256 0.0000 0.0000 52106.5757 -109556.6110 299.4572 -161663.1867 -109193.3889 299.0943 -228.5020 -209.2513 762139.9735 -17.3760 -17.5357 PRESSURE: 2029200 -388.208 -88.697 -140.238 -88.6968 -504.226 -48.1598 -140.238 -48.1596 104.925 GPRESSURE: 2029200 -280.418 -156.601 -116.853 -27.6821 -504.026 -19.6997 -126.554 -125.077 83.7245 PRESSAVG: 2029200 14.683 2.75224 6.87468 2.75225 23.8551 -14.2004 6.87467 -14.2004 6.84251 GPRESSAVG: 2029200 15.6576 2.13253 7.3987 2.88291 22.6956 -14.9157 7.22477 -12.789 6.84119 TIMING: 2029200 CPU: 6477.11, 0.00318094/step Wall: 6477.11, 0.00318094/step, 2.62498 hours remaining, 240.097656 MB of memory in use. ENERGY: 2029200 3977.6727 20670.9327 14442.3017 243.6223 -203636.5852 2528.0631 0.0000 0.0000 52092.4205 -109681.5722 299.3759 -161773.9927 -109321.5431 299.2113 -262.5030 -233.5732 760624.4579 15.1269 15.0648 PRESSURE: 2029400 0.435807 94.3756 -77.1466 94.3743 25.5793 45.6334 -77.1467 45.6327 546.496 GPRESSURE: 2029400 71.7163 23.6625 -72.1458 13.3762 128.605 122.734 -171.563 67.8061 477.912 PRESSAVG: 2029400 1.10019 -57.2256 -34.5112 -57.2256 47.5443 25.5525 -34.5112 25.5525 6.1788 GPRESSAVG: 2029400 0.428545 -56.8294 -35.3951 -57.5685 49.8986 26.1227 -36.5343 25.6739 4.88886 TIMING: 2029400 CPU: 6477.75, 0.00320149/step Wall: 6477.75, 0.00320149/step, 2.64176 hours remaining, 240.097656 MB of memory in use. ENERGY: 2029400 3839.6414 20489.3070 14405.1952 247.3370 -203767.5564 2990.3196 0.0000 0.0000 51979.2897 -109816.4666 298.7257 -161795.7563 -109450.4029 298.7550 190.8369 226.0778 760153.4352 18.2744 18.4053 PRESSURE: 2029600 -164.192 -47.6195 20.8477 -47.6204 -227.324 9.80341 20.8475 9.80357 -89.2653 GPRESSURE: 2029600 -178.008 14.1998 -72.6997 -42.1105 -163.553 14.8103 183.391 -4.4922 -48.8799 PRESSAVG: 2029600 -31.5385 19.8911 -1.13201 19.8911 61.238 -55.8082 -1.13204 -55.8082 -6.83804 GPRESSAVG: 2029600 -31.0626 19.268 -0.143386 17.8683 60.4022 -55.1647 0.480365 -56.34 -6.08677 TIMING: 2029600 CPU: 6478.38, 0.00319733/step Wall: 6478.38, 0.00319733/step, 2.63815 hours remaining, 240.097656 MB of memory in use. ENERGY: 2029600 3936.0051 20429.5632 14408.1924 256.4133 -203363.6050 2559.2012 0.0000 0.0000 51932.9282 -109841.3015 298.4593 -161774.2297 -109482.1620 298.0426 -160.2606 -130.1469 761125.4785 7.6205 7.7510 PRESSURE: 2029800 -251.196 -344.586 -179.961 -344.586 -365.771 102.287 -179.961 102.287 88.0467 GPRESSURE: 2029800 -288.565 -349.189 -220.119 -276.562 -216.7 65.2435 -273.327 103.239 46.4357 PRESSAVG: 2029800 20.9349 -9.03843 7.25661 -9.03841 -17.9974 40.2158 7.25662 40.2158 13.5864 GPRESSAVG: 2029800 20.7311 -8.17519 7.31396 -7.66432 -17.4932 40.5953 4.95148 38.9539 12.6344 TIMING: 2029800 CPU: 6479.03, 0.0032071/step Wall: 6479.03, 0.0032071/step, 2.64604 hours remaining, 240.097656 MB of memory in use. ENERGY: 2029800 3958.0515 20658.8999 14471.4912 262.4419 -203521.0377 2586.9285 0.0000 0.0000 52076.8487 -109506.3762 299.2864 -161583.2248 -109140.4196 298.9486 -176.3066 -152.9431 761384.1260 5.5079 5.2908 PRESSURE: 2030000 4.76411 28.6239 -139.596 28.6234 -325 250.84 -139.596 250.839 -423.166 GPRESSURE: 2030000 86.791 -40.1953 -147.732 13.5207 -336.652 234.303 31.7004 252.22 -413.16 PRESSAVG: 2030000 -23.3983 -44.9465 -0.286556 -44.9465 -13.2068 14.6291 -0.28657 14.6291 -8.42871 GPRESSAVG: 2030000 -22.4948 -44.6024 -0.443538 -44.8642 -13.967 13.7317 2.51305 14.0188 -8.247 TIMING: 2030000 CPU: 6479.67, 0.00319845/step Wall: 6479.67, 0.00319845/step, 2.63872 hours remaining, 240.097656 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: 2030000 4010.0319 20532.4852 14480.9638 232.3126 -203566.9065 2656.2373 0.0000 0.0000 52116.4416 -109538.4341 299.5139 -161654.8757 -109178.2598 299.2020 -247.8006 -221.0070 762316.1895 -15.0113 -14.9029 PRESSURE: 2030200 3.68552 48.7029 -135.465 48.7023 -94.8519 -49.3839 -135.465 -49.3844 447.33 GPRESSURE: 2030200 -62.7158 122.473 -131.778 -147.372 103.002 -24.6199 -182.992 41.3571 410.69 PRESSAVG: 2030200 23.1053 -55.3407 -9.33919 -55.3407 -21.5794 19.1824 -9.33915 19.1825 7.60148 GPRESSAVG: 2030200 21.5289 -54.8885 -8.85314 -56.5755 -20.0861 19.6489 -10.0221 22.213 8.28658 TIMING: 2030200 CPU: 6480.3, 0.00317861/step Wall: 6480.3, 0.00317861/step, 2.62218 hours remaining, 240.097656 MB of memory in use. ENERGY: 2030200 4026.6668 20445.2613 14410.9757 251.6578 -203486.2544 2773.7862 0.0000 0.0000 52168.0580 -109409.8486 299.8105 -161577.9067 -109051.8569 299.6676 118.7211 150.3254 761972.9248 3.0424 3.2431 PRESSURE: 2030400 -344.141 81.2979 149.116 81.298 -5.80663 -121.817 149.117 -121.817 -219.375 GPRESSURE: 2030400 -249.014 -92.7815 111.561 90.9544 -98.8314 -152.212 40.2019 -109.871 -154.621 PRESSAVG: 2030400 -6.33346 -41.3583 -20.047 -41.3582 -1.28429 7.52681 -20.0469 7.52675 13.4242 GPRESSAVG: 2030400 -4.91777 -41.6778 -20.0445 -39.1324 -3.59187 6.8148 -20.7318 5.64672 14.075 TIMING: 2030400 CPU: 6480.94, 0.00319961/step Wall: 6480.94, 0.00319961/step, 2.63932 hours remaining, 240.097656 MB of memory in use. ENERGY: 2030400 3930.2762 20604.1794 14432.2966 258.1150 -203837.2196 2743.4442 0.0000 0.0000 52304.2025 -109564.7058 300.5930 -161868.9083 -109200.6116 299.4357 -189.7741 -167.4888 759368.1292 1.9355 1.8551 PRESSURE: 2030600 249.264 116.491 87.4332 116.491 40.6037 -160.585 87.433 -160.585 204.061 GPRESSURE: 2030600 236.043 140.84 9.33396 129.473 157.096 -142.274 10.8262 -136.68 184.106 PRESSAVG: 2030600 3.79047 0.66622 37.0806 0.666196 3.2741 31.0237 37.0806 31.0237 7.50699 GPRESSAVG: 2030600 3.54844 -1.44177 37.7596 -0.466645 5.51151 30.6627 35.1084 30.4872 5.65171 TIMING: 2030600 CPU: 6481.59, 0.00323514/step Wall: 6481.59, 0.00323514/step, 2.66845 hours remaining, 240.097656 MB of memory in use. ENERGY: 2030600 3984.3265 20403.4627 14429.6138 241.8605 -203534.1066 2902.4127 0.0000 0.0000 52140.3491 -109432.0814 299.6513 -161572.4305 -109061.3175 299.2565 164.6428 192.4150 761958.6358 4.8572 4.9039 PRESSURE: 2030800 -170.511 61.6274 -5.01783 61.6276 -87.9831 -47.2804 -5.01902 -47.2815 -27.159 GPRESSURE: 2030800 -229.316 119.262 88.7007 148.382 30.9081 -59.1594 34.3569 -99.341 -5.6101 PRESSAVG: 2030800 65.9723 -21.6875 27.3276 -21.6875 -23.7654 -48.8511 27.3276 -48.8512 11.0933 GPRESSAVG: 2030800 64.508 -18.9067 26.6994 -21.7937 -24.4024 -48.7393 29.3691 -48.8479 12.7156 TIMING: 2030800 CPU: 6482.23, 0.00321528/step Wall: 6482.23, 0.00321528/step, 2.6519 hours remaining, 240.097656 MB of memory in use. ENERGY: 2030800 3957.1605 20554.0827 14471.4000 255.4736 -203498.0624 2600.4734 0.0000 0.0000 52234.4790 -109424.9932 300.1923 -161659.4721 -109063.9499 299.0823 -95.2177 -68.0061 761529.5832 17.7667 17.6071 PRESSURE: 2031000 -251.634 -62.3264 145.234 -62.3258 -157.536 -24.8521 145.233 -24.8521 325.68 GPRESSURE: 2031000 -133.758 -81.5611 78.822 -52.6426 -182.805 -10.1227 39.4545 -42.4003 312.478 PRESSAVG: 2031000 16.115 -30.3032 28.515 -30.3032 31.9841 -39.1355 28.5151 -39.1355 6.49842 GPRESSAVG: 2031000 16.8153 -31.8387 26.9845 -30.249 31.0002 -37.1702 28.2406 -39.6843 6.59917 TIMING: 2031000 CPU: 6482.87, 0.00318952/step Wall: 6482.87, 0.00318952/step, 2.63047 hours remaining, 240.097656 MB of memory in use. ENERGY: 2031000 4018.2510 20600.0170 14417.3745 245.9373 -203532.2017 2854.8245 0.0000 0.0000 52010.5297 -109385.2677 298.9052 -161395.7973 -109032.6148 299.7723 -27.8301 -1.3620 761307.8510 18.1992 18.1382 PRESSURE: 2031200 -346.081 -110.345 100.647 -110.345 -111.197 -271.078 100.647 -271.079 22.8776 GPRESSURE: 2031200 -240.16 -136.231 100.15 -191.805 -139.827 -275.493 26.5545 -96.588 28.3548 PRESSAVG: 2031200 0.275786 -66.8499 -45.4575 -66.8498 -47.4453 -47.3361 -45.4575 -47.336 -24.6661 GPRESSAVG: 2031200 1.54398 -65.9498 -43.9663 -65.7373 -47.5352 -47.5544 -46.9559 -45.5034 -25.2686 TIMING: 2031200 CPU: 6483.51, 0.00318063/step Wall: 6483.51, 0.00318063/step, 2.62296 hours remaining, 240.097656 MB of memory in use. ENERGY: 2031200 3888.3379 20560.5333 14433.7023 238.7991 -202943.2818 2244.2516 0.0000 0.0000 52070.0628 -109507.5947 299.2474 -161577.6575 -109135.8938 299.6944 -144.8001 -117.2107 763713.5091 -23.9452 -23.7533 PRESSURE: 2031400 378.51 45.0825 18.3646 45.0825 49.6845 -130.232 18.3642 -130.232 229.506 GPRESSURE: 2031400 350.816 42.1607 59.0071 44.6121 206.889 -202.546 42.1103 -120.806 182.613 PRESSAVG: 2031400 17.3787 -61.3731 -28.8708 -61.3731 4.7512 11.6172 -28.8709 11.6172 8.41071 GPRESSAVG: 2031400 16.9492 -61.42 -29.0064 -61.7798 5.48687 11.9981 -27.9926 10.4607 8.92533 TIMING: 2031400 CPU: 6484.15, 0.00321352/step Wall: 6484.15, 0.00321352/step, 2.6499 hours remaining, 240.097656 MB of memory in use. ENERGY: 2031400 3982.8865 20314.8688 14455.1711 248.8970 -203686.9623 2759.4141 0.0000 0.0000 52416.1629 -109509.5620 301.2364 -161925.7248 -109139.1776 299.2697 219.2337 246.7728 761123.5325 10.1802 10.4538 PRESSURE: 2031600 181.682 -134.062 159.965 -134.063 426.512 -89.4915 159.965 -89.4918 -64.4582 GPRESSURE: 2031600 216.119 -115.03 140.108 -112.605 498.485 -51.124 208.758 -58.1879 -85.2711 PRESSAVG: 2031600 -42.9028 -49.1252 11.7891 -49.1251 38.0431 13.3915 11.7891 13.3915 -6.02116 GPRESSAVG: 2031600 -43.8725 -51.498 12.0728 -49.1798 38.7632 12.9617 13.1776 11.8589 -6.05486 TIMING: 2031600 CPU: 6484.79, 0.00318891/step Wall: 6484.79, 0.00318891/step, 2.62943 hours remaining, 240.097656 MB of memory in use. ENERGY: 2031600 3970.9823 20603.0065 14543.1607 230.6981 -203237.0301 2582.6464 0.0000 0.0000 51904.7537 -109401.7824 298.2973 -161306.5362 -109049.8151 299.4418 181.2453 209.7778 761452.7258 -3.6269 -3.7214 PRESSURE: 2031800 3.75675 -149.649 117.077 -149.648 6.90218 136.555 117.077 136.554 -271.584 GPRESSURE: 2031800 10.298 -78.7255 24.5431 -80.6154 43.7104 180.264 251.674 81.8481 -220.809 PRESSAVG: 2031800 -27.4646 -72.6536 52.7157 -72.6535 22.6472 -13.3867 52.7157 -13.3867 0.182616 GPRESSAVG: 2031800 -27.3234 -70.1825 51.8503 -72.8479 22.4999 -13.5082 50.9959 -13.539 -0.158529 TIMING: 2031800 CPU: 6485.43, 0.00322006/step Wall: 6485.43, 0.00322006/step, 2.65494 hours remaining, 240.097656 MB of memory in use. ENERGY: 2031800 4052.1411 20472.9500 14404.1705 247.6872 -203265.4015 2564.8725 0.0000 0.0000 52104.6693 -109418.9110 299.4463 -161523.5803 -109063.4634 298.8596 -86.9751 -55.6001 760539.5935 -1.5449 -1.6607 PRESSURE: 2032000 -349.795 -84.6992 98.3611 -84.6998 -252.957 -5.72911 98.362 -5.72925 -21.7381 GPRESSURE: 2032000 -274.003 -211.845 126.394 -37.9995 -97.7826 6.46505 0.893598 -162.217 -161.627 PRESSAVG: 2032000 -6.30094 -62.1918 25.8893 -62.1918 -0.147021 -12.4181 25.8893 -12.4181 4.07543 GPRESSAVG: 2032000 -6.2545 -60.2974 26.7524 -62.3934 0.302518 -13.7471 25.7005 -10.2861 4.22726 TIMING: 2032000 CPU: 6486.08, 0.00323179/step Wall: 6486.08, 0.00323179/step, 2.66443 hours remaining, 240.097656 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: 2032000 3949.4375 20537.6926 14488.2506 232.2599 -202648.3643 2228.2316 0.0000 0.0000 51957.3887 -109255.1033 298.5998 -161212.4921 -108885.0158 299.3019 -208.1632 -177.8041 761767.7860 -0.7908 -0.5749 PRESSURE: 2032200 -148.978 -65.4806 -32.578 -65.4802 -290.064 52.7758 -32.5783 52.7766 41.7067 GPRESSURE: 2032200 -183.962 -61.943 20.1426 30.94 -148.61 -24.9117 -10.541 -21.4523 29.4724 PRESSAVG: 2032200 -6.05177 -47.742 19.3597 -47.742 13.468 13.8056 19.3597 13.8056 1.73966 GPRESSAVG: 2032200 -4.08805 -50.4264 20.503 -45.4142 12.0461 15.4612 18.8352 13.2052 1.9094 TIMING: 2032200 CPU: 6486.73, 0.00325623/step Wall: 6486.73, 0.00325624/step, 2.6844 hours remaining, 240.097656 MB of memory in use. ENERGY: 2032200 3932.6895 20592.5363 14521.1514 251.3026 -203327.8931 2671.9524 0.0000 0.0000 52053.7436 -109304.5173 299.1536 -161358.2609 -108950.6951 299.1601 -132.4451 -101.0333 762669.5694 3.0520 3.2892 LDB: ============= START OF LOAD BALANCING ============== 6499.19 LDB: ============== END OF LOAD BALANCING =============== 6499.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6499.19 LDB: ============= START OF LOAD BALANCING ============== 6499.51 LDB: Largest compute 7034 load 0.036042 is 18.5% of average load 0.195249 LDB: Average compute 0.004378 is 2.2% of average load 0.195249 LDB: TIME 6499.51 LOAD: AVG 0.195249 MAX 0.214689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.66 MB LDB: TIME 6499.51 LOAD: AVG 0.195249 MAX 0.214689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: TIME 6499.51 LOAD: AVG 0.195249 MAX 0.214689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: ============== END OF LOAD BALANCING =============== 6499.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6499.52 PRESSURE: 2032400 -520.493 92.1011 -223.218 92.1014 416.058 -250.593 -223.219 -250.593 30.6373 GPRESSURE: 2032400 -466.592 66.735 -160.369 175.931 434.215 -269.221 -188.162 -208.258 59.9544 PRESSAVG: 2032400 1.1426 -28.936 -27.0131 -28.936 63.6807 -27.2707 -27.0132 -27.2706 -11.4131 GPRESSAVG: 2032400 0.731575 -29.2147 -27.5121 -30.2909 64.6916 -27.4671 -26.713 -28.9641 -11.1768 TIMING: 2032400 CPU: 6487.38, 0.00328339/step Wall: 6487.38, 0.00328339/step, 2.70661 hours remaining, 240.976562 MB of memory in use. ENERGY: 2032400 4070.1668 20494.3255 14460.6233 251.2509 -203403.3003 2681.1753 0.0000 0.0000 51941.8608 -109503.8978 298.5106 -161445.7585 -109140.2184 299.0236 -24.5990 9.1926 763379.2029 17.8034 18.0821 PRESSURE: 2032600 -212.819 50.8823 116.019 50.882 -171.022 256.951 116.018 256.951 -460.69 GPRESSURE: 2032600 -241.519 -22.4417 137.767 -5.66198 -91.0228 315.721 156.596 144.367 -420.465 PRESSAVG: 2032600 -91.9918 -9.81197 -25.466 -9.81193 28.5352 -10.0189 -25.466 -10.0188 12.4609 GPRESSAVG: 2032600 -91.4853 -7.15425 -25.4962 -11.0494 28.4208 -10.0596 -24.591 -7.94245 11.8452 TIMING: 2032600 CPU: 6488.02, 0.00318379/step Wall: 6488.02, 0.00318379/step, 2.62433 hours remaining, 240.976562 MB of memory in use. ENERGY: 2032600 3994.9476 20559.5572 14508.0010 252.8346 -203081.2001 2377.8717 0.0000 0.0000 51938.3041 -109449.6838 298.4901 -161387.9879 -109086.4265 299.1964 -281.5105 -251.0022 763388.9848 -16.9986 -17.0731 PRESSURE: 2032800 -388.965 -224.3 62.4647 -224.301 -605.422 193.749 62.4647 193.749 -155.392 GPRESSURE: 2032800 -360.991 -172.731 101.624 -301.176 -491.803 236.936 -36.2513 186.869 -188.626 PRESSAVG: 2032800 -3.89209 -41.0983 -16.618 -41.0983 -15.1031 27.9804 -16.618 27.9803 -26.3048 GPRESSAVG: 2032800 -3.60382 -44.178 -17.054 -40.8407 -15.2829 27.7149 -17.1146 28.8451 -25.4841 TIMING: 2032800 CPU: 6488.66, 0.00320348/step Wall: 6488.66, 0.00320348/step, 2.64038 hours remaining, 240.976562 MB of memory in use. ENERGY: 2032800 4027.3141 20395.5601 14431.4042 245.1832 -203082.2922 2372.2533 0.0000 0.0000 52191.1038 -109419.4736 299.9430 -161610.5773 -109052.6367 298.9450 -383.2599 -347.1402 762080.9257 -15.1000 -14.7903 PRESSURE: 2033000 -187.353 -207.31 182.207 -207.31 -52.269 -51.2662 182.207 -51.2657 -136.088 GPRESSURE: 2033000 -174.904 -211.609 213.327 -156.239 24.8071 -83.0673 90.2234 -45.3176 -150.917 PRESSAVG: 2033000 55.8511 -45.4088 38.2367 -45.4088 -82.8276 4.86445 38.2367 4.86442 12.2743 GPRESSAVG: 2033000 55.6829 -45.8893 39.8263 -44.9857 -82.6398 4.25156 37.5102 5.02536 11.8036 TIMING: 2033000 CPU: 6489.3, 0.00318735/step Wall: 6489.3, 0.00318735/step, 2.6269 hours remaining, 240.976562 MB of memory in use. ENERGY: 2033000 3912.8465 20590.3189 14412.0946 249.1078 -203612.8936 2857.1195 0.0000 0.0000 52046.9141 -109544.4922 299.1143 -161591.4063 -109166.3853 299.2402 -125.2368 -100.3380 761060.6295 -4.9007 -5.0511 PRESSURE: 2033200 -15.1289 44.0495 60.6218 44.0504 -98.9526 -128.482 60.6217 -128.482 -57.3109 GPRESSURE: 2033200 -36.9344 -55.5949 77.5896 -59.8528 -36.2167 -129.739 11.6003 -28.9697 -10.2858 PRESSAVG: 2033200 4.62787 5.6109 -33.4716 5.61087 -43.1101 25.4496 -33.4716 25.4496 0.267287 GPRESSAVG: 2033200 4.51521 5.7035 -35.0465 5.77371 -43.2163 26.3841 -32.9043 23.7886 0.690111 TIMING: 2033200 CPU: 6489.94, 0.00320784/step Wall: 6489.94, 0.00320784/step, 2.64361 hours remaining, 240.976562 MB of memory in use. ENERGY: 2033200 3984.0426 20428.4569 14454.5586 240.8620 -203586.8392 2629.3598 0.0000 0.0000 52428.5873 -109420.9721 301.3078 -161849.5594 -109046.1151 299.2876 -57.1308 -27.8123 760775.6203 -12.7383 -12.6703 PRESSURE: 2033400 -175.358 109.609 -164.988 109.608 197.71 76.2719 -164.988 76.2718 14.0727 GPRESSURE: 2033400 -110.995 163.668 -86.4149 6.94531 139.347 99.0986 -77.5892 -64.4336 83.1328 PRESSAVG: 2033400 -16.9671 0.340559 -47.1373 0.340529 10.1103 -66.1701 -47.1372 -66.1701 19.8674 GPRESSAVG: 2033400 -17.1124 1.1822 -45.5565 -0.200912 9.98384 -65.7114 -46.9484 -65.5599 19.9769 TIMING: 2033400 CPU: 6490.59, 0.00326714/step Wall: 6490.59, 0.00326714/step, 2.6923 hours remaining, 240.976562 MB of memory in use. ENERGY: 2033400 3981.6464 20578.5118 14474.8695 252.8947 -203618.8036 2753.4703 0.0000 0.0000 52052.7620 -109524.6490 299.1479 -161577.4109 -109160.6055 299.0604 12.1417 37.1614 759654.7412 4.3369 4.2828 PRESSURE: 2033600 -229.689 144.189 15.7719 144.188 -218.404 -182.352 15.7723 -182.352 138.7 GPRESSURE: 2033600 -185.436 92.7378 7.38315 124.742 -113.426 -103.605 -78.551 -293.321 78.5681 PRESSAVG: 2033600 8.49817 -30.6171 -101.356 -30.6171 5.65258 -68.1989 -101.356 -68.1988 4.47547 GPRESSAVG: 2033600 8.59098 -32.7919 -103.802 -28.5079 6.82798 -69.0881 -101.101 -68.7659 3.37721 TIMING: 2033600 CPU: 6491.24, 0.00320943/step Wall: 6491.24, 0.00320943/step, 2.64457 hours remaining, 240.976562 MB of memory in use. ENERGY: 2033600 4007.0066 20596.4594 14473.3987 229.4157 -203350.3506 2497.7934 0.0000 0.0000 51961.2896 -109584.9873 298.6222 -161546.2768 -109228.1814 299.0702 -103.1312 -73.4313 760391.0014 6.2087 6.2654 PRESSURE: 2033800 192.484 30.8492 -61.1132 30.8487 334.696 -130.463 -61.1132 -130.464 461.753 GPRESSURE: 2033800 246.575 77.2181 -98.7181 -60.5698 408.771 -165.944 -31.7835 -114.899 428.219 PRESSAVG: 2033800 30.8815 -54.5171 -28.4844 -54.5171 -65.9776 16.5431 -28.4843 16.5431 11.4616 GPRESSAVG: 2033800 30.4478 -52.0487 -27.4459 -55.0687 -66.4901 15.6005 -28.5689 19.8038 11.9489 TIMING: 2033800 CPU: 6491.88, 0.00322185/step Wall: 6491.88, 0.00322185/step, 2.65462 hours remaining, 240.976562 MB of memory in use. ENERGY: 2033800 3969.5736 20598.0306 14488.0437 258.6420 -203824.7572 2937.8434 0.0000 0.0000 52034.0138 -109538.6100 299.0402 -161572.6239 -109170.4186 299.1006 329.6444 361.1881 760528.3583 -7.8782 -8.0311 PRESSURE: 2034000 261.043 46.6146 90.6907 46.6142 139.031 -191.679 90.6916 -191.679 -173.854 GPRESSURE: 2034000 333.677 -1.80137 63.3194 105.55 104.48 -130.852 70.8661 -21.7523 -129.332 PRESSAVG: 2034000 16.1116 -59.7028 14.2868 -59.7028 -36.8893 12.1673 14.2868 12.1673 38.3161 GPRESSAVG: 2034000 16.3937 -60.5082 14.7919 -57.359 -37.0906 12.9917 14.1468 11.1313 37.9557 TIMING: 2034000 CPU: 6492.52, 0.00319013/step Wall: 6492.52, 0.00319013/step, 2.62831 hours remaining, 240.976562 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: 2034000 4104.8535 20512.6954 14495.6671 248.3731 -203083.3898 2586.5835 0.0000 0.0000 51929.2127 -109206.0046 298.4379 -161135.2173 -108855.5014 298.9033 75.4067 102.9416 760195.4883 5.8461 5.7529 PRESSURE: 2034200 2.66939 39.3897 9.76874 39.3897 89.5753 -112.211 9.7698 -112.211 -406.973 GPRESSURE: 2034200 31.1393 26.4698 25.5096 11.6707 168.162 -210.333 0.596602 -61.8793 -425.533 PRESSAVG: 2034200 28.0057 -50.5479 48.1092 -50.5479 -27.4155 -15.4087 48.1093 -15.4087 20.9775 GPRESSAVG: 2034200 28.6244 -49.3983 48.6182 -53.0496 -28.5798 -14.9323 48.3602 -16.578 21.8938 TIMING: 2034200 CPU: 6493.17, 0.00325569/step Wall: 6493.17, 0.00325569/step, 2.68215 hours remaining, 240.976562 MB of memory in use. ENERGY: 2034200 4043.0982 20538.7858 14409.6025 243.9828 -203252.9590 2505.0963 0.0000 0.0000 52264.0340 -109248.3593 300.3621 -161512.3933 -108893.7999 299.4339 -104.9094 -75.4104 759732.6318 7.1892 7.3128 PRESSURE: 2034400 -376.455 -21.8537 -138.022 -21.8532 -177.457 113.77 -138.022 113.768 64.1679 GPRESSURE: 2034400 -311.138 -153.958 -112.057 -30.1307 -150.298 120.467 -7.32357 100.588 47.4955 PRESSAVG: 2034400 -35.4244 -47.4714 -10.6257 -47.4714 71.599 -16.804 -10.6257 -16.804 -22.8107 GPRESSAVG: 2034400 -35.3043 -49.1718 -12.0754 -49.2627 71.7546 -16.0699 -10.6567 -16.1409 -22.3103 TIMING: 2034400 CPU: 6493.81, 0.00320933/step Wall: 6493.81, 0.00320933/step, 2.64377 hours remaining, 240.976562 MB of memory in use. ENERGY: 2034400 4050.8189 20462.3238 14429.4223 249.9006 -202918.7057 2448.7920 0.0000 0.0000 52136.9512 -109140.4969 299.6318 -161277.4482 -108774.5699 299.6941 -163.2481 -137.9800 761758.9847 4.4546 4.7133 PRESSURE: 2034600 -567.098 -46.5447 78.6974 -46.5452 -183.775 132.757 78.6971 132.758 -441.513 GPRESSURE: 2034600 -505.243 16.9272 148.133 -32.4541 -164.046 170.828 113.232 28.5393 -460.572 PRESSAVG: 2034600 -9.77132 -27.6568 -11.2712 -27.6568 62.1371 16.9227 -11.2712 16.9227 -12.1567 GPRESSAVG: 2034600 -10.0267 -26.106 -9.64787 -25.8073 63.8441 17.9647 -10.9656 16.0103 -13.7221 TIMING: 2034600 CPU: 6494.45, 0.00319213/step Wall: 6494.45, 0.00319213/step, 2.62943 hours remaining, 240.976562 MB of memory in use. ENERGY: 2034600 3998.7708 20649.1874 14436.7869 233.8060 -203062.6980 2507.5830 0.0000 0.0000 52137.0376 -109099.5263 299.6323 -161236.5639 -108731.6182 299.6373 -397.4620 -376.6204 762700.8297 13.4030 13.3651 PRESSURE: 2034800 -157.858 -277.791 -84.7356 -277.791 -84.1509 99.84 -84.7362 99.8413 333.625 GPRESSURE: 2034800 -138.849 -260.192 -77.0315 -125.063 -14.684 134.533 -45.9483 183.411 325.122 PRESSAVG: 2034800 -3.11846 -17.7037 -26.3457 -17.7037 16.7425 9.66433 -26.3457 9.66423 0.0544923 GPRESSAVG: 2034800 -3.55741 -16.8995 -27.3937 -17.79 15.952 8.95055 -26.0283 10.3926 0.672656 TIMING: 2034800 CPU: 6495.1, 0.00322568/step Wall: 6495.1, 0.00322568/step, 2.65689 hours remaining, 240.976562 MB of memory in use. ENERGY: 2034800 3995.5958 20527.9068 14490.2145 237.2222 -203026.0485 2592.3227 0.0000 0.0000 52161.6420 -109021.1445 299.7737 -161182.7865 -108656.0350 299.8126 30.5387 57.1963 761650.1476 4.5595 4.3557 PRESSURE: 2035000 -83.0122 -17.7536 58.774 -17.7548 -300.45 -219.4 58.7736 -219.4 -171.793 GPRESSURE: 2035000 -24.5835 -56.4052 42.1888 -132.181 -278.805 -227.435 115.785 -166.251 -177.086 PRESSAVG: 2035000 5.22458 -31.0389 30.4355 -31.0389 24.5207 38.0689 30.4354 38.0689 3.41435 GPRESSAVG: 2035000 5.11878 -31.964 30.6391 -30.5186 24.3907 36.437 28.8413 39.1659 3.63122 TIMING: 2035000 CPU: 6495.74, 0.00323812/step Wall: 6495.74, 0.00323813/step, 2.66696 hours remaining, 240.976562 MB of memory in use. ENERGY: 2035000 4038.5695 20426.8025 14460.7182 230.1484 -202713.6159 2419.1658 0.0000 0.0000 52269.0822 -108869.1293 300.3911 -161138.2115 -108508.8428 299.9635 -185.0852 -160.1581 763154.7763 11.0532 11.0469 PRESSURE: 2035200 32.9736 123.4 -35.1797 123.401 -147.154 43.6172 -35.1798 43.6164 64.5857 GPRESSURE: 2035200 85.8229 -14.6571 10.1233 80.3765 -139.697 55.9902 124.539 -61.867 82.9319 PRESSAVG: 2035200 17.9134 4.75176 54.9333 4.75176 -51.2315 9.97784 54.9334 9.97788 12.6999 GPRESSAVG: 2035200 17.576 4.8757 54.9759 3.10818 -50.7415 12.0294 57.8767 9.61335 12.5399 TIMING: 2035200 CPU: 6496.38, 0.00320562/step Wall: 6496.38, 0.00320562/step, 2.64 hours remaining, 240.976562 MB of memory in use. ENERGY: 2035200 4010.3269 20688.6732 14422.0860 242.5911 -202789.4993 2575.2851 0.0000 0.0000 52006.2532 -108844.2837 298.8807 -160850.5370 -108494.2080 299.8590 -16.5316 9.6858 762821.0439 -6.8727 -6.8752 PRESSURE: 2035400 -229.952 -12.1106 72.8501 -12.1097 -6.12467 333.498 72.8503 333.497 135.188 GPRESSURE: 2035400 -195.58 5.18631 117.46 -35.6516 38.2462 283.56 12.3615 219.635 131.631 PRESSAVG: 2035400 10.1152 3.90482 31.7075 3.9048 25.0206 1.58844 31.7076 1.5884 10.3935 GPRESSAVG: 2035400 10.6752 7.05465 32.3221 2.8514 24.7849 0.253304 28.6086 -1.21838 10.5307 TIMING: 2035400 CPU: 6497.03, 0.00321617/step Wall: 6497.03, 0.00321617/step, 2.64852 hours remaining, 240.976562 MB of memory in use. ENERGY: 2035400 3922.4217 20628.3352 14488.2084 236.2509 -202401.0376 2172.3457 0.0000 0.0000 52264.9276 -108688.5481 300.3673 -160953.4756 -108331.2606 300.1645 -33.6293 -8.5675 762746.1065 15.1764 15.3303 PRESSURE: 2035600 99.5061 -67.8513 99.8073 -67.8519 61.0099 -238.867 99.8078 -238.868 55.7861 GPRESSURE: 2035600 103.866 -164.079 87.098 23.7627 134.113 -288.744 158.046 -134.493 40.1709 PRESSAVG: 2035600 -60.7812 -12.2035 7.28542 -12.2035 70.9 2.43463 7.28544 2.43455 -2.47344 GPRESSAVG: 2035600 -62.5464 -15.2342 5.97337 -10.2972 71.4303 1.0157 10.2661 3.36398 -1.71127 TIMING: 2035600 CPU: 6497.67, 0.00322035/step Wall: 6497.67, 0.00322035/step, 2.65178 hours remaining, 240.976562 MB of memory in use. ENERGY: 2035600 3906.6306 20439.1446 14471.8703 258.7909 -203002.7627 2746.8652 0.0000 0.0000 52382.9929 -108796.4681 301.0458 -161179.4610 -108436.0989 300.3914 72.1007 92.7168 762381.1565 2.5485 2.3909 PRESSURE: 2035800 532.457 171.407 -83.8925 171.406 136.993 15.4812 -83.8934 15.4807 363.705 GPRESSURE: 2035800 519.909 82.7117 -155.166 187.794 195.937 -42.7884 -93.6963 -5.27451 384.931 PRESSAVG: 2035800 21.7315 25.1597 -1.71881 25.1597 -3.50969 -50.0614 -1.71874 -50.0614 -26.7079 GPRESSAVG: 2035800 21.5074 25.3947 -2.40533 23.1663 -3.60619 -47.5898 -4.00776 -48.6393 -27.4491 TIMING: 2035800 CPU: 6498.31, 0.00320291/step Wall: 6498.31, 0.00320291/step, 2.63724 hours remaining, 240.976562 MB of memory in use. ENERGY: 2035800 4000.8962 20599.4339 14477.6981 256.4846 -202861.8058 2730.8661 0.0000 0.0000 52155.0172 -108641.4098 299.7356 -160796.4269 -108282.1825 300.2611 344.3850 366.9255 762313.8646 -2.8287 -3.1826 PRESSURE: 2036000 -81.4371 -35.2159 52.0717 -35.215 -262.026 -30.3688 52.0722 -30.3688 136.503 GPRESSURE: 2036000 22.0585 -68.5778 167.515 -27.5914 -213.944 -44.3489 129.724 36.6724 71.4112 PRESSAVG: 2036000 22.6968 -17.6133 23.1703 -17.6134 1.28871 38.867 23.1703 38.867 -4.0468 GPRESSAVG: 2036000 23.9207 -19.4141 24.3804 -14.8916 2.05202 37.8174 25.6786 36.3507 -5.70558 TIMING: 2036000 CPU: 6498.96, 0.00321929/step Wall: 6498.96, 0.00321929/step, 2.65055 hours remaining, 240.976562 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: 2036000 3978.7119 20370.2034 14507.2997 242.1978 -203209.3276 2747.7839 0.0000 0.0000 52215.0195 -109148.1114 300.0804 -161363.1309 -108777.3092 299.6923 -68.9869 -40.1582 762860.4108 6.6462 6.7557 PRESSURE: 2036200 -17.6273 -102.085 -51.6979 -102.084 184.735 -71.9845 -51.6982 -71.9851 -105.034 GPRESSURE: 2036200 30.694 -111.099 -115.975 -37.9813 170.932 -59.5681 -12.4611 -47.8275 -68.3255 PRESSAVG: 2036200 28.3801 -13.6251 13.1977 -13.6252 -33.6294 20.1976 13.1976 20.1975 -2.10013 GPRESSAVG: 2036200 27.7337 -13.2961 12.821 -13.4759 -34.458 21.2265 13.1397 20.4745 -0.721246 TIMING: 2036200 CPU: 6499.6, 0.00320326/step Wall: 6499.6, 0.00320326/step, 2.63717 hours remaining, 240.976562 MB of memory in use. ENERGY: 2036200 4020.4063 20607.9906 14475.3562 253.5446 -203264.2560 2775.5967 0.0000 0.0000 52142.0636 -108989.2980 299.6612 -161131.3616 -108635.9836 299.6744 20.6914 44.4335 762970.6101 -2.4498 -2.4819 LDB: ============= START OF LOAD BALANCING ============== 6512.06 LDB: ============== END OF LOAD BALANCING =============== 6512.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.06 LDB: ============= START OF LOAD BALANCING ============== 6512.39 LDB: Largest compute 7034 load 0.037819 is 19.4% of average load 0.195221 LDB: Average compute 0.004388 is 2.2% of average load 0.195221 LDB: TIME 6512.39 LOAD: AVG 0.195221 MAX 0.213725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.871 MB LDB: TIME 6512.39 LOAD: AVG 0.195221 MAX 0.213725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: TIME 6512.39 LOAD: AVG 0.195221 MAX 0.213725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.871 MB LDB: ============== END OF LOAD BALANCING =============== 6512.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.4 PRESSURE: 2036400 -7.50875 -7.16767 38.3605 -7.16849 112.329 188.261 38.3604 188.262 -232.515 GPRESSURE: 2036400 -22.9206 -48.7921 53.5638 -101.17 125.668 123.579 -67.7968 205.584 -148.031 PRESSAVG: 2036400 -17.1063 -57.3731 57.1769 -57.3731 1.46178 39.7931 57.1769 39.7931 9.13693 GPRESSAVG: 2036400 -17.1242 -58.1702 56.7539 -57.9519 0.853398 38.4579 57.4023 41.7027 9.56391 TIMING: 2036400 CPU: 6500.26, 0.00331678/step Wall: 6500.26, 0.00331678/step, 2.73045 hours remaining, 240.156250 MB of memory in use. ENERGY: 2036400 4028.6008 20508.2447 14416.4532 243.8484 -202929.9931 2668.6883 0.0000 0.0000 51943.8643 -109120.2934 298.5221 -161064.1577 -108767.7919 299.2054 -42.5649 -15.0947 763351.6190 -2.1692 -2.2356 PRESSURE: 2036600 183.452 -42.4381 -7.38732 -42.4384 -260.035 8.60836 -7.38734 8.60886 282.795 GPRESSURE: 2036600 180.839 -53.0268 -42.8635 -109.856 -73.881 86.1104 -41.4554 -19.1579 193.708 PRESSAVG: 2036600 6.80297 -84.3588 -10.5832 -84.3588 4.26119 -18.7013 -10.5832 -18.7013 25.5808 GPRESSAVG: 2036600 6.79116 -82.9361 -10.0449 -87.2097 4.26384 -17.5075 -10.762 -19.449 25.3562 TIMING: 2036600 CPU: 6500.91, 0.0032334/step Wall: 6500.91, 0.0032334/step, 2.66163 hours remaining, 240.156250 MB of memory in use. ENERGY: 2036600 3934.7820 20418.3755 14449.3151 256.8522 -203123.9171 2710.4440 0.0000 0.0000 52330.8832 -109023.2651 300.7463 -161354.1483 -108663.3680 299.4432 68.7376 100.2219 763168.9471 12.2150 12.1371 PRESSURE: 2036800 156.942 74.0347 122.049 74.0342 234.146 -15.2315 122.049 -15.2304 194.793 GPRESSURE: 2036800 235.157 77.8317 196.216 141.816 223.938 -1.33458 128.364 -39.542 203.168 PRESSAVG: 2036800 16.8103 -41.4741 17.8129 -41.4742 4.69346 41.2243 17.8129 41.2243 0.134686 GPRESSAVG: 2036800 16.2677 -42.5349 18.8982 -37.8627 4.12358 39.7215 17.5901 42.1773 1.40908 TIMING: 2036800 CPU: 6501.55, 0.00320194/step Wall: 6501.55, 0.00320194/step, 2.63555 hours remaining, 240.156250 MB of memory in use. ENERGY: 2036800 3888.2415 20532.7508 14383.2794 245.3570 -203002.2797 2843.9925 0.0000 0.0000 51950.1730 -109158.4855 298.5584 -161108.6585 -108804.6041 299.9968 195.2938 220.7544 765894.6636 7.2128 7.2668 PRESSURE: 2037000 -129.012 -59.2573 -114.636 -59.257 -43.9712 16.1505 -114.636 16.1504 -91.9853 GPRESSURE: 2037000 17.1049 -94.5014 -151.296 -57.4074 -46.9552 -73.1069 -159.374 18.9681 -148.389 PRESSAVG: 2037000 -32.3493 -30.1796 18.8586 -30.1795 11.474 7.44358 18.8586 7.44361 3.95661 GPRESSAVG: 2037000 -31.1831 -28.8742 17.1154 -33.4673 11.5763 8.76174 20.2792 6.28287 2.82381 TIMING: 2037000 CPU: 6502.19, 0.00319945/step Wall: 6502.19, 0.00319945/step, 2.63333 hours remaining, 240.156250 MB of memory in use. ENERGY: 2037000 3969.7023 20559.7051 14439.9164 250.1269 -203260.2883 2800.6132 0.0000 0.0000 52017.9313 -109222.2930 298.9478 -161240.2244 -108860.3015 299.0784 -88.3229 -59.4132 763854.9038 -5.6395 -5.5943 PRESSURE: 2037200 211.746 34.3421 232.256 34.3415 248.077 104.533 232.256 104.532 639.005 GPRESSURE: 2037200 271.315 0.458199 146.562 88.6278 281.009 34.7459 242.869 63.9097 625.323 PRESSAVG: 2037200 23.1881 -65.4084 33.5747 -65.4084 4.41926 41.3155 33.5747 41.3155 -21.6568 GPRESSAVG: 2037200 23.245 -66.3735 34.6692 -63.9373 4.3746 39.9618 29.7042 41.4723 -21.7417 TIMING: 2037200 CPU: 6502.82, 0.00316961/step Wall: 6502.82, 0.00316961/step, 2.60859 hours remaining, 240.156250 MB of memory in use. ENERGY: 2037200 3920.5427 20378.5121 14403.6402 231.7589 -203615.0339 3052.1956 0.0000 0.0000 52296.2212 -109332.1633 300.5471 -161628.3845 -108961.9214 299.1591 366.2759 392.5490 762484.5656 1.9835 1.9593 PRESSURE: 2037400 -20.0492 -219.422 222.551 -219.422 -78.9451 109.192 222.551 109.192 -225.625 GPRESSURE: 2037400 20.3108 -254.935 207.294 -196.754 -17.6226 206.093 59.1647 84.3553 -232.209 PRESSAVG: 2037400 6.59908 -78.1736 5.41771 -78.1736 45.6565 23.6506 5.4177 23.6506 0.342753 GPRESSAVG: 2037400 6.11175 -78.9499 6.03714 -77.4155 45.0549 24.8455 5.29459 21.2043 0.961976 TIMING: 2037400 CPU: 6503.46, 0.00318529/step Wall: 6503.46, 0.00318529/step, 2.62131 hours remaining, 240.156250 MB of memory in use. ENERGY: 2037400 3956.4951 20530.1729 14411.3587 237.8448 -203019.3181 2587.4825 0.0000 0.0000 51913.7316 -109382.2325 298.3489 -161295.9641 -109018.4193 298.7419 -108.2065 -76.5071 761954.1518 17.5328 17.3762 PRESSURE: 2037600 331.254 177.64 53.123 177.641 -138.694 249.599 53.1225 249.598 228.142 GPRESSURE: 2037600 262.618 110.079 105.601 160.268 76.1487 165.537 -4.52307 271.266 183.271 PRESSAVG: 2037600 -7.80987 -62.1148 31.6606 -62.1147 -15.9425 -1.71771 31.6606 -1.71766 -11.7038 GPRESSAVG: 2037600 -8.23985 -58.5074 32.1459 -64.4326 -15.0117 -1.83799 32.9363 3.60415 -11.8744 TIMING: 2037600 CPU: 6504.11, 0.0032455/step Wall: 6504.11, 0.0032455/step, 2.67069 hours remaining, 240.156250 MB of memory in use. ENERGY: 2037600 3906.6846 20433.7240 14486.4702 238.7579 -203235.3783 2587.1231 0.0000 0.0000 52047.0535 -109535.5650 299.1151 -161582.6185 -109170.3426 298.5387 140.2338 174.0125 763016.4872 -11.8187 -11.7086 PRESSURE: 2037800 277.661 -160.474 69.5727 -160.474 388.715 -113.693 69.5729 -113.691 -12.985 GPRESSURE: 2037800 391.235 -122.806 28.1967 -24.9062 404.371 -80.572 135.839 -70.098 -46.1132 PRESSAVG: 2037800 94.2133 -28.9479 2.44969 -28.9479 -45.2394 -6.09993 2.4497 -6.09994 8.45411 GPRESSAVG: 2037800 94.8645 -31.1731 1.53015 -26.3008 -46.3808 -5.60703 2.54566 -9.43633 8.87869 TIMING: 2037800 CPU: 6504.74, 0.00318903/step Wall: 6504.74, 0.00318903/step, 2.62404 hours remaining, 240.156250 MB of memory in use. ENERGY: 2037800 3961.0795 20619.1798 14400.8681 239.3554 -203739.0010 3025.5189 0.0000 0.0000 52097.6014 -109395.3979 299.4056 -161492.9993 -109043.0602 298.8452 217.7972 249.8309 759822.4085 19.1427 19.1208 PRESSURE: 2038000 231.523 64.5979 -124.989 64.5981 57.4201 -207.319 -124.989 -207.319 -139 GPRESSURE: 2038000 324.848 137.032 -116.822 -47.5062 11.0276 -69.6378 -11.2065 -250.113 -106.38 PRESSAVG: 2038000 52.9262 -60.2984 -10.0977 -60.2984 -43.7537 -16.1816 -10.0977 -16.1817 -17.8294 GPRESSAVG: 2038000 51.8512 -59.9134 -10.262 -61.4358 -43.2362 -15.86 -8.26015 -15.0863 -17.5999 TIMING: 2038000 CPU: 6505.38, 0.00318857/step Wall: 6505.38, 0.00318857/step, 2.62349 hours remaining, 240.156250 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: 2038000 3946.6674 20666.5049 14472.2942 241.2305 -203445.3736 2879.6476 0.0000 0.0000 51821.6885 -109417.3405 297.8200 -161239.0290 -109065.6401 299.0612 49.9809 76.4987 761268.6349 -2.8856 -2.9950 PRESSURE: 2038200 -11.3125 -70.2775 301.614 -70.2773 -188.564 116.316 301.614 116.317 251.125 GPRESSURE: 2038200 55.8782 -87.8061 288.996 -68.9569 -71.8533 105.267 189.004 103.148 144.921 PRESSAVG: 2038200 13.0513 -41.9081 9.94674 -41.9081 -51.7674 -5.22605 9.94673 -5.22611 16.6736 GPRESSAVG: 2038200 13.5357 -44.3624 10.4757 -40.8818 -50.9863 -5.71252 9.46656 -5.31445 15.5047 TIMING: 2038200 CPU: 6506.03, 0.00322025/step Wall: 6506.03, 0.00322025/step, 2.64937 hours remaining, 240.156250 MB of memory in use. ENERGY: 2038200 3910.9600 20558.6235 14517.3684 246.9988 -203400.7490 2667.8097 0.0000 0.0000 52173.4597 -109325.5288 299.8416 -161498.9885 -108954.5511 298.9902 17.0829 42.9819 762524.8882 -7.3475 -7.3153 PRESSURE: 2038400 -261.502 -7.43325 -125.491 -7.43253 126.671 -60.0394 -125.491 -60.0386 -557.555 GPRESSURE: 2038400 -254.239 -68.2216 -197.683 -82.73 193.889 -18.8056 128.71 -65.4335 -530.292 PRESSAVG: 2038400 -19.2551 -50.8779 23.8401 -50.878 24.5405 -9.86862 23.8401 -9.86852 -25.9667 GPRESSAVG: 2038400 -19.8746 -52.4233 24.7144 -51.9775 24.9719 -10.0567 23.0898 -9.7166 -25.6088 TIMING: 2038400 CPU: 6506.66, 0.00318899/step Wall: 6506.66, 0.00318899/step, 2.62347 hours remaining, 240.156250 MB of memory in use. ENERGY: 2038400 4025.8766 20540.0786 14468.9946 239.1220 -203065.0402 2459.2233 0.0000 0.0000 51869.5407 -109462.2044 298.0950 -161331.7451 -109101.7013 298.6379 -230.7956 -196.8806 761643.9227 -6.8938 -6.8372 PRESSURE: 2038600 149.433 -220.792 -112.886 -220.792 -61.2046 59.1981 -112.886 59.1975 26.1059 GPRESSURE: 2038600 148.466 -153.629 -84.0349 -99.4323 -14.1994 12.0796 -180.434 51.668 94.7323 PRESSAVG: 2038600 -53.5327 -50.9028 24.5954 -50.9028 40.2267 -8.27835 24.5954 -8.27839 -7.76331 GPRESSAVG: 2038600 -52.153 -48.3656 23.515 -49.5459 39.8942 -8.06973 22.9799 -9.74923 -9.10964 TIMING: 2038600 CPU: 6507.3, 0.00319244/step Wall: 6507.3, 0.00319244/step, 2.62614 hours remaining, 240.156250 MB of memory in use. ENERGY: 2038600 4034.5782 20660.8100 14452.7950 259.7306 -203638.8156 2817.8678 0.0000 0.0000 52062.3554 -109350.6786 299.2031 -161413.0340 -108998.9122 299.0387 38.1113 76.3328 760908.1875 -7.0231 -7.1228 PRESSURE: 2038800 167.431 -184.51 -119.829 -184.511 4.18778 320.494 -119.829 320.495 -68.1919 GPRESSURE: 2038800 185.719 -171.338 -183.423 -148.582 49.4564 294.573 -12.4436 304.521 -47.6632 PRESSAVG: 2038800 -8.82376 -50.1822 -13.3629 -50.1821 15.8909 -13.0576 -13.3629 -13.0577 -26.2704 GPRESSAVG: 2038800 -10.4865 -48.826 -13.8325 -50.8345 15.9209 -12.3315 -12.1693 -12.1289 -24.8426 TIMING: 2038800 CPU: 6507.94, 0.00320928/step Wall: 6507.94, 0.00320928/step, 2.63981 hours remaining, 240.156250 MB of memory in use. ENERGY: 2038800 3986.4242 20642.6270 14357.2453 232.0663 -203728.5407 2622.3181 0.0000 0.0000 52142.4366 -109745.4232 299.6633 -161887.8599 -109377.9019 298.7432 34.4758 62.5040 762698.5657 -6.4011 -6.4694 PRESSURE: 2039000 462.418 -56.0618 -13.178 -56.0616 280.22 -258.108 -13.1772 -258.108 264.206 GPRESSURE: 2039000 500.193 32.2734 -96.3631 -110.284 328.296 -259.999 59.691 -218.583 263.331 PRESSAVG: 2039000 -49.0751 -81.102 -5.94593 -81.102 69.1915 -20.3823 -5.94593 -20.3824 24.7638 GPRESSAVG: 2039000 -48.3364 -80.9202 -8.11575 -84.4373 68.6421 -21.4554 -5.36844 -20.5653 24.2539 TIMING: 2039000 CPU: 6508.58, 0.00318397/step Wall: 6508.58, 0.00318397/step, 2.61881 hours remaining, 240.156250 MB of memory in use. ENERGY: 2039000 3872.2843 20610.9061 14478.7155 245.3184 -204116.9895 3024.3217 0.0000 0.0000 52123.2254 -109762.2180 299.5529 -161885.4434 -109393.7926 299.0267 335.6147 363.9397 759649.9171 14.9601 14.8532 PRESSURE: 2039200 129.786 22.5994 128.238 22.6001 224.388 -44.0344 128.237 -44.0346 -91.369 GPRESSURE: 2039200 79.8253 43.0927 49.4083 -118.64 305.319 -136.433 159.799 43.1585 -46.8698 PRESSAVG: 2039200 -43.9186 -90.8845 31.7248 -90.8844 30.8448 -4.71861 31.7248 -4.71861 9.50531 GPRESSAVG: 2039200 -43.4376 -90.0469 34.5652 -90.3523 30.7883 -6.99759 28.8933 -2.97088 8.63034 TIMING: 2039200 CPU: 6509.22, 0.00317512/step Wall: 6509.22, 0.00317512/step, 2.61136 hours remaining, 240.156250 MB of memory in use. ENERGY: 2039200 3961.9226 20785.9399 14443.1219 241.2677 -204008.1321 2974.6839 0.0000 0.0000 51965.7962 -109635.3999 298.6481 -161601.1960 -109279.7603 299.1304 87.6016 112.7582 761225.7440 -1.1895 -1.3396 PRESSURE: 2039400 216.859 -209.708 -188.601 -209.708 345.864 -242.818 -188.601 -242.818 503.363 GPRESSURE: 2039400 289.529 -300.947 -168.145 -68.0058 414.636 -134.087 -45.0369 -149.472 448.975 PRESSAVG: 2039400 8.49322 -68.1349 -11.5464 -68.1349 15.4406 26.3126 -11.5464 26.3126 -29.2429 GPRESSAVG: 2039400 7.1056 -70.0908 -11.7626 -64.113 15.4584 28.5306 -12.0873 25.0219 -27.9874 TIMING: 2039400 CPU: 6509.86, 0.00322872/step Wall: 6509.86, 0.00322872/step, 2.65526 hours remaining, 240.156250 MB of memory in use. ENERGY: 2039400 4044.0404 20640.7358 14520.3624 249.2922 -204169.0464 3204.6969 0.0000 0.0000 51785.7510 -109724.1679 297.6134 -161509.9188 -109369.5765 298.5690 355.3621 384.3802 761461.0981 -1.7697 -1.8078 PRESSURE: 2039600 -211.259 -97.5809 -93.1028 -97.581 -156.887 -59.8508 -93.103 -59.8503 -39.4085 GPRESSURE: 2039600 -187.83 21.6582 -137.457 -221.382 -50.6081 -25.1544 -135.755 -34.0948 -66.4476 PRESSAVG: 2039600 40.3784 -20.3248 5.55547 -20.3247 -13.6238 -13.8879 5.55552 -13.8879 -21.3997 GPRESSAVG: 2039600 41.0348 -20.8716 6.16644 -20.712 -12.8152 -13.5986 7.80735 -15.0703 -22.844 TIMING: 2039600 CPU: 6510.5, 0.00319141/step Wall: 6510.5, 0.00319141/step, 2.6244 hours remaining, 240.156250 MB of memory in use. ENERGY: 2039600 3978.0107 20506.0159 14390.7857 232.4541 -203281.9779 2470.5341 0.0000 0.0000 52203.3349 -109500.8425 300.0133 -161704.1774 -109135.2530 298.8221 -135.8516 -101.6287 762960.9687 1.7850 1.7919 PRESSURE: 2039800 -302.388 -35.897 -139.874 -35.896 -255.044 28.1825 -139.875 28.1817 -583.179 GPRESSURE: 2039800 -216.999 -118.031 -144.979 -63.0753 -263.126 71.7134 -175.644 111.678 -583.64 PRESSAVG: 2039800 20.5899 -30.1401 -12.8914 -30.1401 -7.99841 -18.1182 -12.8914 -18.1182 6.48915 GPRESSAVG: 2039800 20.3879 -29.9725 -13.2369 -30.8931 -8.52163 -20.172 -12.8177 -16.8489 6.55327 TIMING: 2039800 CPU: 6511.14, 0.00321616/step Wall: 6511.14, 0.00321616/step, 2.64457 hours remaining, 240.156250 MB of memory in use. ENERGY: 2039800 4002.6603 20644.9831 14428.6348 249.6754 -203345.2050 2391.8183 0.0000 0.0000 52052.0921 -109575.3411 299.1441 -161627.4333 -109217.6316 298.7697 -380.2035 -354.5880 761516.9108 6.3602 6.1399 PRESSURE: 2040000 -352.343 -10.4048 -53.9294 -10.4054 -231.472 156.882 -53.9293 156.882 -84.8413 GPRESSURE: 2040000 -309.691 -69.0577 -52.4117 2.46739 -193.153 214.547 -138.007 49.5285 -87.2356 PRESSAVG: 2040000 11.3787 -3.39485 21.6192 -3.39481 51.1178 -45.1404 21.6191 -45.1404 -1.13529 GPRESSAVG: 2040000 12.6356 -3.72386 21.8021 -3.63235 49.9369 -43.9929 20.4457 -42.7517 -0.962918 TIMING: 2040000 CPU: 6511.79, 0.00323007/step Wall: 6511.79, 0.00323007/step, 2.65584 hours remaining, 240.156250 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: 2040000 3979.9499 20726.0821 14447.5865 245.1898 -202982.8995 2426.6867 0.0000 0.0000 51808.6857 -109348.7188 297.7452 -161157.4045 -108989.5061 298.7474 -222.8854 -196.6932 762327.3099 20.4537 20.5365 PRESSURE: 2040200 -164.887 -195.333 119.989 -195.333 12.8393 -88.2082 119.989 -88.2097 192.815 GPRESSURE: 2040200 -133.635 -295.895 63.9039 -187.595 135.887 -155.506 97.4557 -122.558 131.23 PRESSAVG: 2040200 51.9312 -45.8267 -13.1809 -45.8267 18.5271 -29.7045 -13.1809 -29.7045 -44.253 GPRESSAVG: 2040200 51.0276 -45.0093 -12.2346 -46.0697 19.0672 -29.9639 -13.7112 -32.5348 -43.721 TIMING: 2040200 CPU: 6512.43, 0.00322095/step Wall: 6512.43, 0.00322095/step, 2.64816 hours remaining, 240.156250 MB of memory in use. ENERGY: 2040200 3952.1497 20579.4636 14463.4197 253.7015 -203043.2159 2424.0956 0.0000 0.0000 52087.4595 -109282.9262 299.3473 -161370.3858 -108917.7185 299.1479 13.5890 44.4943 762385.5087 8.7351 8.7913 LDB: ============= START OF LOAD BALANCING ============== 6524.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6524.89 LDB: =============== DONE WITH MIGRATION ================ 6524.89 LDB: ============= START OF LOAD BALANCING ============== 6525.21 LDB: Largest compute 7073 load 0.036415 is 18.7% of average load 0.195099 LDB: Average compute 0.004413 is 2.3% of average load 0.195099 LDB: TIME 6525.22 LOAD: AVG 0.195099 MAX 0.213803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6525.22 LOAD: AVG 0.195099 MAX 0.213803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 6525.22 LOAD: AVG 0.195099 MAX 0.213803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 6525.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6525.22 PRESSURE: 2040400 -272.71 -207.102 62.6583 -207.103 -81.6502 -50.7086 62.6573 -50.7092 34.3218 GPRESSURE: 2040400 -156.132 -154.074 108.218 -158.258 -41.3921 -126.795 6.31058 12.555 -79.6966 PRESSAVG: 2040400 -1.47718 -47.4681 1.31381 -47.4681 57.2834 -12.2171 1.31376 -12.2171 0.712737 GPRESSAVG: 2040400 -0.827683 -46.3006 0.777868 -47.8618 57.413 -11.5681 1.93963 -12.8051 -0.12355 TIMING: 2040400 CPU: 6513.09, 0.00326461/step Wall: 6513.09, 0.00326461/step, 2.68388 hours remaining, 239.527344 MB of memory in use. ENERGY: 2040400 4000.2768 20543.1601 14489.3732 264.1020 -203210.0496 2556.9771 0.0000 0.0000 52052.4952 -109303.6652 299.1464 -161356.1604 -108939.6855 299.3312 -106.6793 -92.4069 762432.8922 18.8397 18.8206 PRESSURE: 2040600 44.5998 -310.269 -183.284 -310.269 -66.8505 -19.9088 -183.284 -19.9081 181.452 GPRESSURE: 2040600 65.9163 -201.431 -197.86 -228.623 8.17357 -50.4581 -151.018 89.2017 165.635 PRESSAVG: 2040600 25.4058 -47.8872 -14.6875 -47.8871 -19.9451 -12.2925 -14.6875 -12.2924 -4.57355 GPRESSAVG: 2040600 24.6005 -47.9474 -17.1204 -47.1422 -19.0864 -11.906 -12.4054 -12.602 -4.27388 TIMING: 2040600 CPU: 6513.72, 0.00318883/step Wall: 6513.72, 0.00318883/step, 2.6214 hours remaining, 239.527344 MB of memory in use. ENERGY: 2040600 4020.3233 20699.6941 14492.4285 257.8378 -203439.0822 2791.7205 0.0000 0.0000 51923.6353 -109253.4426 298.4058 -161177.0779 -108889.6441 299.3804 53.0670 79.9082 761258.2804 0.2957 0.4134 PRESSURE: 2040800 -209.863 62.2685 -69.6455 62.269 -332.107 -116.197 -69.6453 -116.197 -506.549 GPRESSURE: 2040800 -222.077 16.6677 -130.543 -20.0947 -285.49 -150.462 -14.8965 -70.6306 -440.822 PRESSAVG: 2040800 36.1009 -45.6457 20.57 -45.6457 16.1563 -12.1584 20.57 -12.1584 4.8997 GPRESSAVG: 2040800 35.493 -46.589 20.7575 -44.6806 15.678 -14.3626 21.22 -10.7952 6.16859 TIMING: 2040800 CPU: 6514.36, 0.00319596/step Wall: 6514.36, 0.00319596/step, 2.62708 hours remaining, 239.527344 MB of memory in use. ENERGY: 2040800 3954.4433 20359.3952 14513.0754 241.6577 -202984.1666 2403.4702 0.0000 0.0000 52040.8404 -109471.2842 299.0794 -161512.1246 -109094.7028 299.2113 -349.5065 -316.1296 761775.0565 19.0523 19.1132 PRESSURE: 2041000 -204.646 20.4328 -72.8083 20.4339 -110.487 149.261 -72.8081 149.26 -217.8 GPRESSURE: 2041000 -158.567 -13.0846 -39.9609 -41.2001 -89.2077 176.255 -48.352 113.062 -201.559 PRESSAVG: 2041000 -6.17873 -10.6619 58.7437 -10.6619 -61.4922 7.94587 58.7436 7.94592 1.43543 GPRESSAVG: 2041000 -7.18017 -8.36634 61.075 -14.2286 -59.4301 10.8037 58.2444 6.46873 0.44682 TIMING: 2041000 CPU: 6515, 0.00316933/step Wall: 6515, 0.00316933/step, 2.60501 hours remaining, 239.527344 MB of memory in use. ENERGY: 2041000 4067.1023 20464.4609 14475.3240 241.3718 -203082.0722 2509.3626 0.0000 0.0000 52084.8933 -109239.5573 299.3326 -161324.4506 -108878.0117 298.8598 -177.6443 -149.7779 762278.2738 -22.0785 -22.0545 PRESSURE: 2041200 451.795 -29.2633 168.811 -29.2626 242.727 -5.57242 168.811 -5.57141 38.7235 GPRESSURE: 2041200 373.345 10.1439 173.522 -19.146 302.239 22.9289 86.5248 -64.5066 137.714 PRESSAVG: 2041200 59.2811 -33.9362 44.9284 -33.9361 -44.0546 -1.02214 44.9285 -1.02221 19.0883 GPRESSAVG: 2041200 60.4994 -34.9107 43.1756 -32.8055 -44.7792 -1.09777 44.4297 -1.4148 18.7861 TIMING: 2041200 CPU: 6515.63, 0.00315096/step Wall: 6515.63, 0.00315096/step, 2.58974 hours remaining, 239.527344 MB of memory in use. ENERGY: 2041200 3986.5801 20589.5597 14497.5310 240.6215 -203816.7839 2962.9241 0.0000 0.0000 52070.7612 -109468.8063 299.2514 -161539.5675 -109103.4360 298.8953 244.4152 271.0993 761149.9341 11.4383 11.5021 PRESSURE: 2041400 -148.852 -8.57876 -22.6004 -8.5789 -33.7152 -16.6238 -22.5998 -16.6238 -271.568 GPRESSURE: 2041400 -184.685 89.6259 -35.1691 -112.739 79.7688 2.86556 -134.356 -40.5302 -258.641 PRESSAVG: 2041400 50.4113 -43.8315 7.23378 -43.8315 -43.9535 6.50337 7.2338 6.50342 -16.9335 GPRESSAVG: 2041400 50.1543 -43.2793 7.5852 -43.7229 -44.6617 3.567 7.79891 6.73779 -14.5675 TIMING: 2041400 CPU: 6516.27, 0.00320564/step Wall: 6516.27, 0.00320564/step, 2.6345 hours remaining, 239.527344 MB of memory in use. ENERGY: 2041400 3973.1308 20643.8443 14410.4376 239.9061 -203397.4261 2675.4813 0.0000 0.0000 52001.5257 -109453.1004 298.8535 -161454.6261 -109091.0877 299.1685 -151.3786 -121.1857 761977.3907 -3.4919 -3.0250 PRESSURE: 2041600 -56.4893 -94.3528 -189.695 -94.3532 -133.882 46.6034 -189.695 46.6033 -81.972 GPRESSURE: 2041600 -42.6646 -81.0227 -252.988 -180.372 -66.7338 -71.2014 -132.581 -71.3752 -92.6879 PRESSAVG: 2041600 42.388 -26.3935 -16.0437 -26.3935 -31.1931 0.374844 -16.0437 0.374868 5.5834 GPRESSAVG: 2041600 43.7269 -30.273 -16.2919 -25.125 -29.6716 1.58719 -13.2837 1.82095 3.01079 TIMING: 2041600 CPU: 6516.91, 0.00319658/step Wall: 6516.91, 0.00319658/step, 2.62688 hours remaining, 239.527344 MB of memory in use. ENERGY: 2041600 3973.2399 20465.2950 14465.9618 234.7224 -203010.7857 2346.3734 0.0000 0.0000 52057.7033 -109467.4900 299.1763 -161525.1932 -109105.5935 298.8794 -90.7809 -67.3621 761729.6471 5.5928 5.6887 PRESSURE: 2041800 -79.3837 86.1521 -52.0228 86.153 -360.198 -65.7677 -52.0228 -65.7668 285.151 GPRESSURE: 2041800 -48.4822 0.648991 10.1456 65.8614 -294.178 68.2952 -299.712 -102.795 256.428 PRESSAVG: 2041800 -1.01829 -7.70459 -44.5407 -7.70449 0.807214 27.3998 -44.5407 27.3997 -10.4074 GPRESSAVG: 2041800 -2.38024 -5.16598 -43.7979 -7.09205 1.13797 29.238 -47.8805 25.0771 -9.03667 TIMING: 2041800 CPU: 6517.55, 0.0032071/step Wall: 6517.55, 0.0032071/step, 2.63535 hours remaining, 239.527344 MB of memory in use. ENERGY: 2041800 3886.9492 20450.5214 14479.2688 244.2321 -203171.8754 2520.6101 0.0000 0.0000 52125.3384 -109464.9554 299.5650 -161590.2938 -109097.5535 298.7938 -51.4768 -28.7438 763006.4403 -3.5395 -3.4263 PRESSURE: 2042000 304.228 -56.2023 33.3327 -56.2019 -329.8 -170.134 33.3328 -170.133 226.842 GPRESSURE: 2042000 310.443 -39.714 96.4924 -80.735 -304.792 -164.271 11.3243 -76.1044 258.21 PRESSAVG: 2042000 21.9893 12.9192 -21.2688 12.9191 -6.40724 19.3419 -21.2687 19.3419 -6.6587 GPRESSAVG: 2042000 21.6572 14.095 -21.1113 10.3716 -8.61498 18.3583 -23.092 22.0847 -5.00901 TIMING: 2042000 CPU: 6518.19, 0.00319851/step Wall: 6518.19, 0.00319851/step, 2.62811 hours remaining, 239.527344 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: 2042000 3995.8978 20459.4117 14473.0877 270.0835 -203362.0006 2604.7358 0.0000 0.0000 51913.7306 -109645.0536 298.3489 -161558.7841 -109287.3172 298.6109 67.0901 87.9536 762221.4609 2.9745 2.6778 PRESSURE: 2042200 228.4 105.857 -274.653 105.857 126.778 -235.736 -274.654 -235.736 -331.384 GPRESSURE: 2042200 269.49 48.204 -252.776 -25.6884 62.8219 -220.458 -279.278 -212.051 -228.557 PRESSAVG: 2042200 10.7501 -101.455 16.2985 -101.455 8.03315 18.2987 16.2985 18.2987 2.57603 GPRESSAVG: 2042200 12.2732 -101.249 16.2618 -100.956 8.99712 17.4805 17.4838 19.4125 0.369004 TIMING: 2042200 CPU: 6518.83, 0.00320544/step Wall: 6518.83, 0.00320544/step, 2.63363 hours remaining, 239.527344 MB of memory in use. ENERGY: 2042200 3958.8995 20636.8015 14438.6626 257.4621 -203417.2654 2750.5033 0.0000 0.0000 52076.8388 -109298.0977 299.2863 -161374.9365 -108930.5503 299.0595 7.9313 34.5850 760909.7848 7.1198 7.2131 PRESSURE: 2042400 91.9882 37.8662 -30.3506 37.8665 -350.202 77.0074 -30.3501 77.0074 -263.938 GPRESSURE: 2042400 53.1531 184.556 8.95439 77.0582 -232.399 80.3423 51.7608 -17.9673 -266.425 PRESSAVG: 2042400 -18.1259 -36.2197 -22.1326 -36.2197 10.8303 22.1186 -22.1326 22.1185 -20.9321 GPRESSAVG: 2042400 -18.3428 -37.437 -21.1125 -35.9353 10.3097 22.0879 -23.0604 19.4581 -19.9073 TIMING: 2042400 CPU: 6519.47, 0.00320293/step Wall: 6519.47, 0.00320293/step, 2.63139 hours remaining, 239.527344 MB of memory in use. ENERGY: 2042400 4004.1028 20611.8391 14517.4266 242.5969 -203416.5257 2551.8205 0.0000 0.0000 52113.0103 -109375.7295 299.4942 -161488.7398 -109000.4269 299.4138 -174.0505 -148.5568 761324.2048 -9.4092 -9.3134 PRESSURE: 2042600 -222.876 202.326 -116.69 202.325 -653.453 -129.771 -116.691 -129.771 214.392 GPRESSURE: 2042600 -291.178 207.423 -92.2413 70.9617 -489.316 -174.017 -78.6779 -16.3133 210.171 PRESSAVG: 2042600 -33.3096 64.9362 -10.7635 64.9362 58.6932 41.3066 -10.7635 41.3066 2.94169 GPRESSAVG: 2042600 -35.1456 65.6241 -11.2263 63.0635 61.4011 42.4497 -8.15586 43.3111 2.7809 TIMING: 2042600 CPU: 6520.11, 0.00317564/step Wall: 6520.11, 0.00317564/step, 2.60879 hours remaining, 239.527344 MB of memory in use. ENERGY: 2042600 3905.1738 20492.8689 14485.2464 223.8431 -203086.3251 2512.2705 0.0000 0.0000 52112.0581 -109354.8643 299.4887 -161466.9224 -108981.5453 299.3952 -220.6455 -190.1077 762282.0290 9.4418 9.6788 PRESSURE: 2042800 25.3715 -238.232 86.4105 -238.232 67.8682 -113.106 86.412 -113.107 -292.897 GPRESSURE: 2042800 8.81132 -261.415 111.602 -154.701 96.1366 -69.2652 102.88 -132.031 -204.602 PRESSAVG: 2042800 -18.603 -2.15262 -49.5332 -2.15266 -19.8683 40.9336 -49.5332 40.9336 12.9084 GPRESSAVG: 2042800 -16.6241 -1.30872 -49.1593 0.01631 -21.6551 40.1931 -49.6754 41.6232 12.6863 TIMING: 2042800 CPU: 6520.74, 0.00318878/step Wall: 6520.74, 0.00318878/step, 2.6194 hours remaining, 239.527344 MB of memory in use. ENERGY: 2042800 4060.7314 20349.1231 14476.2896 236.0297 -203165.2202 2700.9275 0.0000 0.0000 51975.4716 -109366.6473 298.7037 -161342.1189 -109002.9932 299.0482 -66.5523 -33.2181 762257.9204 -8.5209 -8.5310 PRESSURE: 2043000 -543.202 33.3931 199.029 33.3925 -38.6437 424.888 199.03 424.887 31.9931 GPRESSURE: 2043000 -433.439 -6.49809 128.19 -41.2018 -45.5594 391.435 112.541 290.866 22.656 PRESSAVG: 2043000 30.5953 -29.2064 11.7748 -29.2065 -24.6445 -3.29839 11.7749 -3.29837 -7.38992 GPRESSAVG: 2043000 29.3971 -31.1176 9.85689 -31.1085 -24.6182 -3.88189 10.961 -5.87879 -6.83163 TIMING: 2043000 CPU: 6521.38, 0.00319229/step Wall: 6521.38, 0.00319229/step, 2.62211 hours remaining, 239.527344 MB of memory in use. ENERGY: 2043000 3970.0410 20404.8382 14481.9103 246.8931 -203138.2455 2445.6166 0.0000 0.0000 52204.3484 -109384.5980 300.0191 -161588.9463 -109021.7520 299.0464 -183.2841 -152.1142 760644.1680 -0.4797 -0.6843 PRESSURE: 2043200 71.5941 -88.016 163.074 -88.0162 -10.2262 64.3601 163.074 64.3597 -214.042 GPRESSURE: 2043200 27.7807 -29.4514 201.377 -22.3841 87.348 53.224 152.498 256.305 -193.169 PRESSAVG: 2043200 -25.1618 -3.65217 -5.23082 -3.65208 -9.37913 10.9822 -5.23085 10.9821 -13.5854 GPRESSAVG: 2043200 -26.2326 -1.75656 -4.70807 -3.43887 -8.99658 10.5159 -6.86449 12.0983 -13.4983 TIMING: 2043200 CPU: 6522.02, 0.00318277/step Wall: 6522.02, 0.00318277/step, 2.61411 hours remaining, 239.527344 MB of memory in use. ENERGY: 2043200 4013.1601 20494.3311 14443.4540 249.7051 -203508.2275 2775.8734 0.0000 0.0000 51959.3566 -109572.3471 298.6111 -161531.7037 -109197.6939 298.7299 -50.8913 -26.0135 762037.1987 -16.0421 -16.2425 PRESSURE: 2043400 -115.949 -112.8 -78.6598 -112.799 -127.244 -62.442 -78.6592 -62.4412 -53.0803 GPRESSURE: 2043400 46.0367 -92.9132 -172.644 -93.7799 -185.097 -125.562 -2.76502 72.4827 -93.0285 PRESSAVG: 2043400 80.4669 -6.0112 1.49993 -6.01121 -60.518 19.4266 1.49997 19.4266 2.45449 GPRESSAVG: 2043400 81.4437 -7.60263 1.35021 -5.60199 -60.6419 19.9087 3.14923 22.6507 1.52883 TIMING: 2043400 CPU: 6522.66, 0.00318311/step Wall: 6522.66, 0.00318311/step, 2.61422 hours remaining, 239.527344 MB of memory in use. ENERGY: 2043400 3932.4786 20606.1403 14515.3779 254.2641 -203434.4876 2632.9711 0.0000 0.0000 51884.4945 -109608.7610 298.1809 -161493.2555 -109239.5275 298.8263 -98.7578 -77.3630 759890.9165 7.4678 7.4435 PRESSURE: 2043600 -26.5218 4.11743 -105.309 4.1171 -49.8493 196.238 -105.31 196.237 -173.006 GPRESSURE: 2043600 75.893 67.1451 -133.315 -33.4355 -59.0907 215.609 -217.051 69.1453 -187.105 PRESSAVG: 2043600 -19.8082 -14.6023 -0.988873 -14.6023 -28.0698 5.94747 -0.988908 5.94745 -11.1859 GPRESSAVG: 2043600 -18.6266 -14.8903 -0.969344 -14.6819 -30.324 5.85659 -1.15265 3.68084 -9.89112 TIMING: 2043600 CPU: 6523.29, 0.00319188/step Wall: 6523.29, 0.00319188/step, 2.62124 hours remaining, 239.527344 MB of memory in use. ENERGY: 2043600 3997.5497 20437.7508 14463.4980 250.8173 -203299.6192 2663.8029 0.0000 0.0000 51685.1686 -109801.0318 297.0354 -161486.2005 -109428.6376 298.5406 -83.1256 -56.7676 762473.8118 -19.6880 -19.6139 PRESSURE: 2043800 257.451 272.029 -115.605 272.029 231.56 246.681 -115.606 246.682 24.2721 GPRESSURE: 2043800 384.213 139.8 -60.2328 141.297 209.055 189.084 17.5469 106.176 9.1533 PRESSAVG: 2043800 87.561 50.6472 2.83686 50.6471 -38.052 30.6391 2.83685 30.6391 -7.94244 GPRESSAVG: 2043800 86.3173 51.498 3.76698 50.5441 -35.7503 31.2936 3.8919 28.4783 -9.13601 TIMING: 2043800 CPU: 6523.93, 0.00318378/step Wall: 6523.93, 0.00318378/step, 2.61442 hours remaining, 239.527344 MB of memory in use. ENERGY: 2043800 3924.2603 20417.6171 14464.2117 264.7431 -203599.4184 2931.0242 0.0000 0.0000 51868.9843 -109728.5777 298.0918 -161597.5619 -109355.9580 298.6175 171.0943 200.8070 762784.0802 13.8555 13.8104 PRESSURE: 2044000 -153.408 75.4639 112.055 75.4642 -107.846 -42.6373 112.055 -42.637 -213.808 GPRESSURE: 2044000 -183.396 139.289 36.7842 151.442 -116.343 -78.2814 96.2585 30.6424 -88.9796 PRESSAVG: 2044000 32.0901 30.8677 -7.0139 30.8678 8.48955 16.0136 -7.01385 16.0136 -3.61429 GPRESSAVG: 2044000 32.3191 30.2288 -7.39578 31.7821 8.33107 16.043 -8.20716 18.1025 -2.97073 TIMING: 2044000 CPU: 6524.57, 0.00319786/step Wall: 6524.57, 0.00319786/step, 2.62579 hours remaining, 239.527344 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: 2044000 3993.4988 20605.3787 14471.8635 237.2384 -203697.2591 2728.0079 0.0000 0.0000 52021.1440 -109640.1279 298.9662 -161661.2719 -109265.4683 298.6483 -158.3539 -129.5727 761397.3250 12.3218 12.5598 PRESSURE: 2044200 -491.429 -12.2065 46.1645 -12.2056 -155.67 -140.594 46.1636 -140.595 -209.15 GPRESSURE: 2044200 -393.253 -25.3408 -24.1868 -43.144 -136.109 -116.729 36.5747 -149.96 -236.696 PRESSAVG: 2044200 18.582 -9.45323 -32.5893 -9.4532 -14.4454 -18.6127 -32.5893 -18.6127 17.9143 GPRESSAVG: 2044200 18.3125 -7.90434 -31.9557 -11.3895 -14.6538 -18.5725 -30.2211 -18.9163 18.1621 TIMING: 2044200 CPU: 6525.2, 0.0031695/step Wall: 6525.2, 0.0031695/step, 2.60233 hours remaining, 239.527344 MB of memory in use. ENERGY: 2044200 3941.4257 20587.7714 14491.2705 236.2924 -203541.1484 2537.6472 0.0000 0.0000 51985.1645 -109761.5767 298.7595 -161746.7412 -109400.2312 298.7124 -285.4163 -255.3526 761952.2719 7.3503 7.2736 LDB: ============= START OF LOAD BALANCING ============== 6537.66 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6537.66 LDB: =============== DONE WITH MIGRATION ================ 6537.66 LDB: ============= START OF LOAD BALANCING ============== 6537.98 LDB: Largest compute 7067 load 0.036626 is 18.8% of average load 0.195170 LDB: Average compute 0.004396 is 2.3% of average load 0.195170 LDB: TIME 6537.98 LOAD: AVG 0.19517 MAX 0.21529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6537.99 LOAD: AVG 0.19517 MAX 0.21529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 6537.99 LOAD: AVG 0.19517 MAX 0.21529 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 6537.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6537.99 PRESSURE: 2044400 -27.4036 185.369 20.1788 185.368 -8.46401 -7.77891 20.1788 -7.77701 -184.869 GPRESSURE: 2044400 79.3635 154.669 -8.76544 168.924 -22.8511 39.7549 -79.7935 -41.1053 -216.501 PRESSAVG: 2044400 18.1362 -5.71168 -32.0107 -5.71174 -12.8987 -51.4842 -32.0108 -51.4842 -7.69922 GPRESSAVG: 2044400 18.0832 -7.85753 -32.2282 -3.84479 -13.1875 -49.8182 -34.0452 -51.157 -8.18895 TIMING: 2044400 CPU: 6525.86, 0.00325988/step Wall: 6525.86, 0.00325988/step, 2.67636 hours remaining, 240.808594 MB of memory in use. ENERGY: 2044400 3940.0677 20366.0328 14473.8226 248.3315 -203401.4291 2492.6492 0.0000 0.0000 52132.0608 -109748.4646 299.6037 -161880.5253 -109379.0151 298.3837 -73.5790 -53.3296 762459.1750 -0.8206 -1.0977 PRESSURE: 2044600 155.115 -127.18 -93.0255 -127.179 63.1383 92.0146 -93.0251 92.015 153.292 GPRESSURE: 2044600 256.711 -158.327 -106.629 -53.0673 41.7757 87.1503 -88.708 151.623 142.518 PRESSAVG: 2044600 52.34 -21.2932 -65.1753 -21.2932 9.75757 -3.62421 -65.1753 -3.6242 -2.00382 GPRESSAVG: 2044600 51.2776 -18.3524 -66.3278 -22.7143 11.0392 -5.76367 -63.3671 -3.11373 -2.76918 TIMING: 2044600 CPU: 6526.5, 0.00320213/step Wall: 6526.5, 0.00320213/step, 2.62877 hours remaining, 240.808594 MB of memory in use. ENERGY: 2044600 3923.3497 20575.6126 14590.6866 239.9242 -203947.8926 2919.4130 0.0000 0.0000 52112.4631 -109586.4435 299.4910 -161698.9066 -109221.4441 299.0185 123.8486 147.0015 760698.2400 20.0312 19.8492 PRESSURE: 2044800 337.475 -229.176 -170.948 -229.176 231.933 -80.3745 -170.949 -80.3744 175.669 GPRESSURE: 2044800 427.446 -213.091 -34.591 -125.588 183.985 -22.2613 -314.816 -111.078 211.06 PRESSAVG: 2044800 68.7011 -56.4332 -81.4622 -56.4332 -4.85499 -16.7309 -81.4622 -16.7308 12.9522 GPRESSAVG: 2044800 71.2267 -57.8586 -79.6851 -56.195 -8.53726 -15.7254 -82.7383 -14.9035 13.5778 TIMING: 2044800 CPU: 6527.14, 0.00319967/step Wall: 6527.14, 0.00319967/step, 2.62657 hours remaining, 240.808594 MB of memory in use. ENERGY: 2044800 4018.3809 20525.7030 14483.1954 249.0579 -203829.1768 2653.6615 0.0000 0.0000 52316.2827 -109582.8953 300.6624 -161899.1780 -109211.2334 299.3375 248.3591 274.1636 760098.0667 25.5994 25.4224 PRESSURE: 2045000 -285.403 140.997 124.561 140.997 -139.261 -40.1301 124.56 -40.1299 -339.224 GPRESSURE: 2045000 -254.843 147.925 140.978 208.701 -164.713 -68.8312 89.7401 -61.5466 -251.113 PRESSAVG: 2045000 33.3809 -18.3303 -25.3279 -18.3304 -67.8185 -61.914 -25.3279 -61.914 11.1599 GPRESSAVG: 2045000 32.0325 -16.8885 -26.6452 -18.9107 -65.6002 -62.5061 -24.0648 -62.9422 10.4292 TIMING: 2045000 CPU: 6527.78, 0.00320616/step Wall: 6527.78, 0.00320616/step, 2.63172 hours remaining, 241.066406 MB of memory in use. ENERGY: 2045000 4015.4781 20684.0093 14490.9608 229.6125 -203574.9063 2528.6891 0.0000 0.0000 52047.6454 -109578.5111 299.1185 -161626.1565 -109221.4018 299.4833 -254.6290 -223.5563 760226.4464 -7.7592 -7.7128 PRESSURE: 2045200 -67.2798 -250.929 81.5302 -250.931 197.644 217.319 81.5307 217.319 125.753 GPRESSURE: 2045200 -35.7581 -138.063 99.0424 -185.238 204.273 175.635 62.0993 181.902 184.821 PRESSAVG: 2045200 25.4736 -21.533 -16.544 -21.533 -7.07141 -19.2864 -16.544 -19.2864 6.60389 GPRESSAVG: 2045200 25.9918 -23.4951 -16.0609 -20.5265 -6.34119 -18.4309 -18.6418 -21.7972 5.29693 TIMING: 2045200 CPU: 6528.42, 0.00318858/step Wall: 6528.42, 0.00318858/step, 2.61712 hours remaining, 241.066406 MB of memory in use. ENERGY: 2045200 3948.6683 20446.0920 14590.3058 253.4148 -203993.8478 2979.2903 0.0000 0.0000 52141.9131 -109634.1635 299.6603 -161776.0766 -109262.9064 299.1421 85.3722 117.7787 760031.5838 8.3354 8.3159 PRESSURE: 2045400 -53.815 135.58 -233.562 135.581 214.476 -169.621 -233.562 -169.622 -235.096 GPRESSURE: 2045400 30.5857 171.785 -200.063 -1.04528 209.231 -131.151 -80.6476 -175.966 -236.351 PRESSAVG: 2045400 28.4879 -3.53997 34.054 -3.53996 -39.935 26.682 34.0539 26.682 -27.5498 GPRESSAVG: 2045400 27.5658 -2.49978 33.5605 -3.9404 -40.2991 25.2812 35.7205 26.652 -26.7122 TIMING: 2045400 CPU: 6529.05, 0.00317999/step Wall: 6529.05, 0.00317999/step, 2.60989 hours remaining, 241.066406 MB of memory in use. ENERGY: 2045400 3972.2131 20604.3982 14531.7567 260.0627 -203965.4609 2794.7885 0.0000 0.0000 51953.7095 -109848.5321 298.5787 -161802.2417 -109492.9097 298.8683 -24.8118 1.1550 759933.4252 -12.9990 -13.1485 PRESSURE: 2045600 -102.56 -115.1 179.405 -115.1 69.7187 63.1 179.406 63.1003 -335.256 GPRESSURE: 2045600 -19.1137 -74.0505 116.666 -12.7632 57.5329 110.373 273.191 -33.524 -307.663 PRESSAVG: 2045600 36.3843 4.35141 -44.7621 4.35141 -62.3574 -5.66133 -44.7622 -5.66125 4.80473 GPRESSAVG: 2045600 36.6169 3.94159 -43.6186 5.27385 -62.3919 -5.31052 -44.9467 -3.87035 5.29851 TIMING: 2045600 CPU: 6529.69, 0.00318292/step Wall: 6529.69, 0.00318292/step, 2.61211 hours remaining, 241.066406 MB of memory in use. ENERGY: 2045600 3985.0120 20386.1471 14400.4485 246.3189 -203973.8578 2926.5503 0.0000 0.0000 52289.8190 -109739.5621 300.5103 -162029.3811 -109373.7559 298.4425 -122.6991 -89.7479 760975.5874 -7.0561 -6.8255 PRESSURE: 2045800 -325.201 -381.063 56.0478 -381.063 -6.14365 173.805 56.0484 173.805 -88.25 GPRESSURE: 2045800 -269.644 -328.547 125.691 -336.962 85.2788 117.005 -133.139 160.917 -129.731 PRESSAVG: 2045800 14.4849 13.1215 -6.66174 13.1214 -26.4081 -17.4901 -6.66174 -17.4901 3.29755 GPRESSAVG: 2045800 15.0222 11.9967 -7.08622 12.1166 -26.1943 -17.0936 -8.55164 -18.1223 2.98398 TIMING: 2045800 CPU: 6530.33, 0.00319527/step Wall: 6530.33, 0.00319527/step, 2.62208 hours remaining, 241.066406 MB of memory in use. ENERGY: 2045800 4040.3165 20522.8814 14470.5786 256.9200 -204030.5177 3027.5927 0.0000 0.0000 52142.7808 -109569.4478 299.6653 -161712.2285 -109196.8065 299.5739 -139.8649 -104.6989 760650.5838 -2.8752 -2.7294 PRESSURE: 2046000 237.41 -70.3642 -67.0314 -70.3644 477.517 -336.688 -67.0317 -336.689 127.109 GPRESSURE: 2046000 251.74 28.3235 -128.545 -114.353 413.108 -393.437 -69.9191 -251.903 245.587 PRESSAVG: 2046000 26.3164 -47.5654 -22.3781 -47.5654 -59.2959 -47.481 -22.3781 -47.481 -5.75531 GPRESSAVG: 2046000 26.4777 -45.705 -22.6333 -48.1137 -59.4872 -46.4094 -20.0884 -48.1001 -5.58037 TIMING: 2046000 CPU: 6530.97, 0.00320318/step Wall: 6530.97, 0.00320318/step, 2.62839 hours remaining, 241.066406 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: 2046000 4069.5467 20547.7942 14466.5138 243.4851 -203529.0254 2548.6765 0.0000 0.0000 52236.3361 -109416.6729 300.2029 -161653.0090 -109059.0926 299.2553 280.6785 303.4785 759806.6281 -12.9116 -12.8633 PRESSURE: 2046200 248.964 -24.4953 -92.5468 -24.4953 49.17 -79.9607 -92.5476 -79.9613 293.45 GPRESSURE: 2046200 325.036 -34.8392 -72.5609 100.341 66.859 -98.5606 -191.608 -196.359 272.516 PRESSAVG: 2046200 1.01007 -20.1603 -51.9876 -20.1603 -6.69997 -45.2212 -51.9876 -45.2211 13.0633 GPRESSAVG: 2046200 1.05178 -21.4092 -51.8689 -20.6348 -7.13694 -45.1517 -55.0608 -44.8381 12.7727 TIMING: 2046200 CPU: 6531.61, 0.00320047/step Wall: 6531.61, 0.00320047/step, 2.62598 hours remaining, 241.066406 MB of memory in use. ENERGY: 2046200 3964.7846 20552.1560 14477.3633 239.1480 -203403.6826 2553.9238 0.0000 0.0000 52047.7055 -109568.6014 299.1189 -161616.3069 -109205.9688 299.2871 197.1949 221.4702 760389.6790 2.4578 2.2292 PRESSURE: 2046400 62.3118 66.9478 -189.053 66.9472 -240.685 -146.029 -189.053 -146.029 448.122 GPRESSURE: 2046400 4.47186 40.1248 -98.7045 76.7442 -115.273 -110.204 41.4095 -112.654 461.295 PRESSAVG: 2046400 59.7422 -45.6218 -20.7761 -45.6218 -42.2579 -28.8328 -20.7761 -28.8328 -12.6171 GPRESSAVG: 2046400 58.5379 -44.3052 -20.7078 -44.5803 -41.5318 -30.4626 -17.0217 -27.9958 -11.4808 TIMING: 2046400 CPU: 6532.25, 0.00319923/step Wall: 6532.25, 0.00319923/step, 2.62479 hours remaining, 241.066406 MB of memory in use. ENERGY: 2046400 3974.4636 20568.3393 14438.2864 253.3040 -202985.1585 2138.8016 0.0000 0.0000 51971.6204 -109640.3434 298.6816 -161611.9637 -109276.7347 298.7267 89.9165 116.8314 760109.3111 1.6224 1.8418 PRESSURE: 2046600 -181.655 110.781 166.641 110.78 84.2924 30.8631 166.64 30.8642 -13.3016 GPRESSURE: 2046600 -139.287 27.091 213.27 12.4544 108.592 -34.5622 89.0996 35.1279 40.0114 PRESSAVG: 2046600 17.8746 -24.1986 -8.51549 -24.1986 3.31426 -33.4274 -8.51551 -33.4273 7.46718 GPRESSAVG: 2046600 17.6501 -25.897 -6.71315 -24.2513 3.60313 -32.3164 -10.9578 -34.2455 7.27163 TIMING: 2046600 CPU: 6532.88, 0.00318372/step Wall: 6532.88, 0.00318372/step, 2.61189 hours remaining, 241.066406 MB of memory in use. ENERGY: 2046600 3981.9934 20376.4442 14474.2158 258.7294 -203340.4744 2653.2942 0.0000 0.0000 51961.0281 -109634.7694 298.6207 -161595.7975 -109270.5607 298.8613 -36.8881 3.1056 760833.8370 9.5520 9.5083 PRESSURE: 2046800 -1.655 46.883 41.4908 46.8824 -236.357 205.729 41.4905 205.73 208.155 GPRESSURE: 2046800 -18.2474 -9.57279 35.4773 52.3846 -118.419 202.727 -20.363 178.508 210.072 PRESSAVG: 2046800 25.3436 -20.9249 6.05887 -20.9249 -40.1363 -20.1973 6.05884 -20.1974 -1.30588 GPRESSAVG: 2046800 25.3401 -20.677 4.71741 -22.0353 -39.3298 -20.9683 7.2961 -20.0277 -2.04996 TIMING: 2046800 CPU: 6533.52, 0.00319365/step Wall: 6533.52, 0.00319365/step, 2.61986 hours remaining, 241.066406 MB of memory in use. ENERGY: 2046800 3979.4688 20597.9136 14471.0574 244.8310 -203484.8103 2509.9220 0.0000 0.0000 52063.6583 -109617.9593 299.2106 -161681.6176 -109254.7385 298.8614 -9.9525 24.4684 761090.5788 -5.3662 -5.3465 PRESSURE: 2047000 17.7187 220.689 -47.8233 220.69 -535.204 3.47573 -47.823 3.47572 402.109 GPRESSURE: 2047000 7.52017 206.779 -87.7463 120.313 -415.058 -49.6675 29.6287 -86.3466 372.326 PRESSAVG: 2047000 38.7472 25.7265 14.5154 25.7265 -21.1968 -49.2857 14.5154 -49.2857 -24.6252 GPRESSAVG: 2047000 40.1016 25.5396 14.3179 28.2693 -22.4573 -51.0784 14.2564 -49.3235 -24.3838 TIMING: 2047000 CPU: 6534.17, 0.00322742/step Wall: 6534.17, 0.00322742/step, 2.64738 hours remaining, 241.066406 MB of memory in use. ENERGY: 2047000 3991.3743 20723.4212 14481.8213 243.9837 -203281.7714 2410.6302 0.0000 0.0000 51907.4413 -109523.0993 298.3128 -161430.5406 -109165.6189 299.1364 -38.4587 -11.7375 758186.1690 -2.3583 -2.2465 PRESSURE: 2047200 -56.0751 -71.3022 -10.5326 -71.3012 196.805 151.392 -10.5327 151.391 -295.763 GPRESSURE: 2047200 20.0983 -34.5848 -54.9725 -61.3716 130.544 108.607 -109.92 63.3834 -231.456 PRESSAVG: 2047200 28.6396 9.72566 -24.2114 9.7256 -61.0123 17.2674 -24.2115 17.2673 3.09352 GPRESSAVG: 2047200 28.3125 12.184 -25.7444 8.92871 -61.7264 19.4775 -24.6512 16.26 4.40895 TIMING: 2047200 CPU: 6534.81, 0.00320299/step Wall: 6534.81, 0.00320299/step, 2.62716 hours remaining, 241.066406 MB of memory in use. ENERGY: 2047200 4041.9043 20463.9903 14480.3287 258.3297 -203472.2488 2533.7475 0.0000 0.0000 52232.5543 -109461.3940 300.1812 -161693.9484 -109082.1924 299.7695 -51.6778 -26.9379 760288.7944 -9.7597 -9.6683 PRESSURE: 2047400 -172.496 -91.1274 -194.368 -91.1272 23.1593 47.9181 -194.367 47.9168 305.244 GPRESSURE: 2047400 -108.434 11.7685 -165.882 -58.8753 -11.8136 98.0116 -25.4612 163.606 360.488 PRESSAVG: 2047400 17.5699 -32.1928 -40.7499 -32.1927 -2.56952 -16.0438 -40.7498 -16.0438 -3.94918 GPRESSAVG: 2047400 18.1087 -32.8235 -39.298 -33.3451 -0.937236 -17.5786 -39.7193 -15.5864 -5.75683 TIMING: 2047400 CPU: 6535.45, 0.00319092/step Wall: 6535.45, 0.00319092/step, 2.61709 hours remaining, 241.066406 MB of memory in use. ENERGY: 2047400 3916.9167 20439.9186 14383.6973 254.5900 -203169.0511 2608.5301 0.0000 0.0000 52096.5510 -109468.8474 299.3996 -161565.3984 -109103.2421 299.3964 51.9690 80.0802 760322.6288 3.6837 3.8049 PRESSURE: 2047600 -192.755 227.492 9.09496 227.492 47.9299 -46.0659 9.09519 -46.0659 -164.787 GPRESSURE: 2047600 -120.655 243.398 -57.0315 277.945 24.2049 -96.5316 -49.3646 -39.7576 -128.944 PRESSAVG: 2047600 46.6046 12.0912 -24.4671 12.0912 6.12401 -25.0359 -24.467 -25.0359 3.84156 GPRESSAVG: 2047600 46.8254 10.3055 -26.2507 12.6824 6.18603 -21.8344 -24.4986 -26.34 3.64588 TIMING: 2047600 CPU: 6536.09, 0.0031881/step Wall: 6536.09, 0.0031881/step, 2.6146 hours remaining, 241.066406 MB of memory in use. ENERGY: 2047600 3967.3784 20588.7471 14383.1173 245.3894 -203163.0286 2521.4352 0.0000 0.0000 52066.2961 -109390.6650 299.2257 -161456.9611 -109031.6708 299.2199 -103.2042 -75.1314 760678.4439 18.8567 18.8858 PRESSURE: 2047800 -0.481142 229.606 -66.4392 229.606 -291.134 105.138 -66.4386 105.139 -353.142 GPRESSURE: 2047800 -4.93457 165.613 33.5754 78.7377 -234.537 57.8702 -214.017 159.473 -312.396 PRESSAVG: 2047800 36.4605 33.7507 35.4754 33.7507 -35.8558 25.586 35.4753 25.5861 -20.3408 GPRESSAVG: 2047800 36.1475 33.0827 38.4178 35.3548 -36.461 21.9617 33.9456 26.748 -20.1482 TIMING: 2047800 CPU: 6536.72, 0.00317851/step Wall: 6536.72, 0.00317851/step, 2.60655 hours remaining, 241.066406 MB of memory in use. ENERGY: 2047800 3932.9726 20325.6158 14421.6151 249.5615 -202854.0504 2391.1633 0.0000 0.0000 52086.5989 -109446.5233 299.3424 -161533.1222 -109085.4205 298.8124 -214.9190 -183.9556 761495.8821 -6.5787 -6.8206 PRESSURE: 2048000 147.917 72.4164 122.429 72.4163 161.32 63.8425 122.429 63.8422 -396.407 GPRESSURE: 2048000 203.442 60.8534 94.049 163.786 172.02 50.7531 38.1473 8.10914 -379.364 PRESSAVG: 2048000 23.7769 8.12408 -31.5727 8.12404 -14.8106 18.4724 -31.5727 18.4724 -26.2848 GPRESSAVG: 2048000 22.6615 7.39278 -32.7447 6.29784 -14.9977 18.9411 -30.0099 17.7097 -25.5286 TIMING: 2048000 CPU: 6537.36, 0.00319463/step Wall: 6537.36, 0.00319463/step, 2.6196 hours remaining, 241.066406 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: 2048000 4021.1931 20453.4182 14402.8092 246.2091 -203366.5321 2635.5373 0.0000 0.0000 52147.7280 -109459.6372 299.6937 -161607.3652 -109099.9305 299.2819 -29.0565 -1.3007 761739.7437 -5.7728 -5.9549 PRESSURE: 2048200 -248.563 54.5592 110.712 54.5589 -214.726 -85.2961 110.712 -85.2968 -203.159 GPRESSURE: 2048200 -278.079 37.815 131.641 -39.5083 -153.124 -90.2889 26.0768 -37.2256 -148.344 PRESSAVG: 2048200 33.3648 -27.058 -1.17289 -27.058 24.2185 -33.5557 -1.17285 -33.5557 -25.3493 GPRESSAVG: 2048200 35.5528 -22.7918 -2.76263 -29.7076 23.0824 -33.483 -1.96715 -33.2233 -26.1403 TIMING: 2048200 CPU: 6538, 0.0032078/step Wall: 6538, 0.0032078/step, 2.63021 hours remaining, 241.066406 MB of memory in use. ENERGY: 2048200 3945.6515 20529.1136 14453.2019 248.2681 -203359.8162 2446.9474 0.0000 0.0000 52026.0269 -109710.6069 298.9943 -161736.6338 -109345.3111 299.0622 -222.1493 -193.1822 762894.6431 10.7446 10.8316 LDB: ============= START OF LOAD BALANCING ============== 6550.46 LDB: ============== END OF LOAD BALANCING =============== 6550.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6550.46 LDB: ============= START OF LOAD BALANCING ============== 6550.78 LDB: Largest compute 7066 load 0.035523 is 18.2% of average load 0.195139 LDB: Average compute 0.004392 is 2.3% of average load 0.195139 LDB: TIME 6550.78 LOAD: AVG 0.195139 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.051 MB LDB: TIME 6550.78 LOAD: AVG 0.195139 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.09 MB LDB: TIME 6550.78 LOAD: AVG 0.195139 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.09 MB LDB: ============== END OF LOAD BALANCING =============== 6550.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6550.79 PRESSURE: 2048400 -236.32 -95.9854 -35.8564 -95.9852 -179.515 -103.274 -35.8564 -103.274 118.756 GPRESSURE: 2048400 -164.851 -177.902 -111.608 -148.077 -104.372 -34.5754 -33.9767 -79.0067 53.4776 PRESSAVG: 2048400 -14.2661 -14.2673 -16.6638 -14.2673 4.61581 -8.19967 -16.6638 -8.19976 12.4637 GPRESSAVG: 2048400 -15.7171 -16.8812 -14.832 -12.7854 5.77001 -8.37698 -18.3555 -5.53714 13.1013 TIMING: 2048400 CPU: 6538.65, 0.00325801/step Wall: 6538.65, 0.00325801/step, 2.6712 hours remaining, 239.511719 MB of memory in use. ENERGY: 2048400 3981.6313 20389.5579 14476.0849 234.3609 -203322.0029 2528.2075 0.0000 0.0000 52066.6061 -109645.5543 299.2275 -161712.1604 -109285.7490 298.9144 -99.0263 -71.9154 761433.7725 0.9378 1.0514 PRESSURE: 2048600 44.7987 -0.0041789 210.938 -0.00503459 233.187 31.8248 210.937 31.8255 -19.5689 GPRESSURE: 2048600 121.501 -109.135 184.483 141.501 181.59 5.19306 285.395 -13.7575 44.5662 PRESSAVG: 2048600 -16.4581 12.9678 -34.1131 12.9677 -4.87574 -39.0628 -34.1131 -39.0628 21.6196 GPRESSAVG: 2048600 -16.035 11.3841 -34.1773 13.2355 -5.25585 -37.7788 -32.1812 -40.6738 21.6711 TIMING: 2048600 CPU: 6539.29, 0.00319609/step Wall: 6539.29, 0.00319609/step, 2.62026 hours remaining, 239.511719 MB of memory in use. ENERGY: 2048600 3955.7395 20462.7657 14408.6729 246.6301 -203630.8894 2722.4703 0.0000 0.0000 52003.7896 -109830.8212 298.8665 -161834.6109 -109474.8614 298.6136 86.1388 115.8859 759350.4196 0.0953 0.1268 PRESSURE: 2048800 -100.711 131.234 31.4831 131.236 280.907 -68.3779 31.4832 -68.3767 310.45 GPRESSURE: 2048800 -93.9068 132.391 82.1899 54.763 310.988 -10.3611 -44.5566 55.1883 348.28 PRESSAVG: 2048800 -58.7793 -31.3117 -56.294 -31.3117 89.6459 20.6642 -56.2941 20.6642 -0.181062 GPRESSAVG: 2048800 -58.9924 -29.9349 -56.2572 -30.3846 90.3131 19.0969 -58.618 20.6649 -0.247078 TIMING: 2048800 CPU: 6539.93, 0.00320237/step Wall: 6539.93, 0.00320237/step, 2.62523 hours remaining, 239.511719 MB of memory in use. ENERGY: 2048800 3977.4544 20365.9200 14396.0042 234.9597 -203874.2612 2930.5946 0.0000 0.0000 51865.5691 -110103.7592 298.0721 -161969.3283 -109744.7486 298.3410 163.5488 188.4536 759367.8046 10.2285 10.3579 PRESSURE: 2049000 -16.4401 76.5558 -184.781 76.5555 -315.43 66.7475 -184.781 66.7477 16.734 GPRESSURE: 2049000 -20.6812 3.45587 -210.287 39.5297 -283.844 14.8513 -184.469 87.0754 56.0785 PRESSAVG: 2049000 -16.6881 4.78492 -79.4698 4.78488 6.36252 11.4683 -79.4698 11.4684 16.7657 GPRESSAVG: 2049000 -16.747 7.06436 -80.8493 3.40187 6.64671 11.8157 -76.2648 9.52728 17.0234 TIMING: 2049000 CPU: 6540.57, 0.00321057/step Wall: 6540.57, 0.00321057/step, 2.63178 hours remaining, 239.511719 MB of memory in use. ENERGY: 2049000 3973.7340 20547.5560 14455.2405 241.7651 -203891.6024 2858.5797 0.0000 0.0000 51795.9966 -110018.7306 297.6723 -161814.7272 -109665.1767 297.9139 -105.0454 -82.8156 761310.1798 2.1467 2.3077 PRESSURE: 2049200 -381.311 63.8439 -12.7667 63.8448 -229.826 -53.964 -12.7667 -53.9645 128.536 GPRESSURE: 2049200 -256.972 78.1095 47.1256 110.821 -292.993 -106.26 12.2907 -46.5981 157.118 PRESSAVG: 2049200 -24.397 -66.1599 -56.4994 -66.1599 40.123 -11.068 -56.4994 -11.0681 -14.0332 GPRESSAVG: 2049200 -25.1267 -67.921 -56.5375 -64.994 40.2103 -12.1265 -56.4531 -7.88694 -13.9107 TIMING: 2049200 CPU: 6541.22, 0.00322587/step Wall: 6541.22, 0.00322587/step, 2.64414 hours remaining, 239.511719 MB of memory in use. ENERGY: 2049200 3966.1805 20430.1477 14429.6329 246.7925 -203781.9845 2611.7189 0.0000 0.0000 52027.4891 -110070.0230 299.0027 -162097.5121 -109709.6895 298.5227 -160.8670 -130.9490 760318.5806 0.5643 0.3910 PRESSURE: 2049400 -214.404 -168.374 -53.4866 -168.374 -300.417 -45.5417 -53.4863 -45.5407 190.129 GPRESSURE: 2049400 -196.037 -87.3128 -95.472 -103.753 -291.695 -13.8062 -59.4509 8.63955 254.469 PRESSAVG: 2049400 22.1904 -6.34219 23.3544 -6.3422 11.7159 21.7953 23.3544 21.7953 -18.9474 GPRESSAVG: 2049400 23.6228 -6.43503 23.9998 -5.59455 11.5042 22.7338 23.0619 20.4455 -19.977 TIMING: 2049400 CPU: 6541.86, 0.00318882/step Wall: 6541.86, 0.00318882/step, 2.61359 hours remaining, 239.511719 MB of memory in use. ENERGY: 2049400 3972.3460 20408.2341 14411.1901 262.0067 -203653.0599 2528.5132 0.0000 0.0000 52004.0097 -110066.7603 298.8678 -162070.7700 -109698.2345 298.1756 -108.2307 -77.7542 761232.1982 4.9863 5.0500 PRESSURE: 2049600 168.124 -88.6821 -96.6402 -88.6818 317.515 -160.333 -96.6407 -160.333 -246.709 GPRESSURE: 2049600 164.623 -169.219 -95.6538 -94.152 332.339 -100.937 -108.764 -120.43 -162.872 PRESSAVG: 2049600 3.98124 -7.67376 -31.0071 -7.67367 -11.8042 -28.3889 -31.0071 -28.3889 12.8359 GPRESSAVG: 2049600 3.19243 -8.02009 -30.6948 -9.48609 -12.3938 -27.201 -30.1667 -28.9193 13.8968 TIMING: 2049600 CPU: 6542.49, 0.0031588/step Wall: 6542.49, 0.0031588/step, 2.58882 hours remaining, 239.511719 MB of memory in use. ENERGY: 2049600 3973.7903 20484.4249 14446.5659 278.5085 -204349.7952 3124.1383 0.0000 0.0000 51863.5813 -110178.7860 298.0607 -162042.3673 -109817.2803 298.0963 79.6433 111.3632 760440.3837 1.6710 1.5652 PRESSURE: 2049800 -58.9803 -322.708 -63.0433 -322.708 -82.3253 266.085 -63.0433 266.086 -215.16 GPRESSURE: 2049800 42.5607 -283.173 10.5282 -294.815 -43.2704 319.648 -115.527 68.4399 -276.641 PRESSAVG: 2049800 -18.9192 -25.9841 -40.0536 -25.9842 49.8502 1.13767 -40.0535 1.13765 -15.8439 GPRESSAVG: 2049800 -18.4234 -25.9304 -41.1479 -24.5487 49.9246 1.43067 -40.7039 2.24378 -16.4624 TIMING: 2049800 CPU: 6543.13, 0.00319003/step Wall: 6543.13, 0.00319003/step, 2.61423 hours remaining, 239.511719 MB of memory in use. ENERGY: 2049800 3985.8997 20252.2740 14475.0063 247.0727 -203842.4413 2883.8833 0.0000 0.0000 51855.9431 -110142.3622 298.0168 -161998.3054 -109777.6415 298.1007 -118.8218 -92.4502 762519.4539 5.0290 5.0129 PRESSURE: 2050000 -208.032 113.757 -258.031 113.757 184.176 -137.898 -258.032 -137.898 280.477 GPRESSURE: 2050000 -235.235 119.441 -206.664 38.1898 250.118 -73.1429 -209.609 -103.508 314.826 PRESSAVG: 2050000 40.9238 -26.7003 6.62773 -26.7003 -5.11865 25.986 6.62772 25.986 -6.52658 GPRESSAVG: 2050000 40.0459 -25.9154 8.26251 -27.8924 -5.05473 27.409 4.14917 25.4761 -6.1843 TIMING: 2050000 CPU: 6543.76, 0.00317974/step Wall: 6543.76, 0.00317974/step, 2.60562 hours remaining, 239.511719 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: 2050000 3997.9317 20397.7267 14477.4021 248.1635 -203994.1717 2998.5103 0.0000 0.0000 51907.1555 -109967.2819 298.3111 -161874.4374 -109624.7030 297.9140 85.5402 109.9030 759586.6126 9.7595 9.6023 PRESSURE: 2050200 495.048 -87.0449 -233.484 -87.0456 -137.864 -91.7836 -233.484 -91.7838 176.393 GPRESSURE: 2050200 537.162 -20.4951 -151.72 -171.32 -121.721 -235.863 -214.277 84.3302 166.796 PRESSAVG: 2050200 13.9896 -35.4115 1.15427 -35.4116 -30.9455 34.693 1.15424 34.693 26.0358 GPRESSAVG: 2050200 14.6122 -35.492 0.769707 -34.0834 -30.8563 31.7532 1.83634 35.3376 24.7692 TIMING: 2050200 CPU: 6544.4, 0.00317163/step Wall: 6544.4, 0.00317163/step, 2.5988 hours remaining, 239.511719 MB of memory in use. ENERGY: 2050200 3946.7302 20408.9085 14465.2004 252.5150 -203367.4168 2590.1124 0.0000 0.0000 51910.3386 -109793.6117 298.3294 -161703.9503 -109434.2343 298.4317 177.8592 194.0792 761460.0282 3.0266 2.8417 PRESSURE: 2050400 -148.126 -108.468 -196.956 -108.468 -16.7393 -260.663 -196.956 -260.662 83.0326 GPRESSURE: 2050400 -145.33 -92.0476 -243.819 15.9251 60.7444 -196.851 -105.362 -205.728 72.4924 PRESSAVG: 2050400 23.2123 -9.69587 -19.477 -9.69589 -25.511 49.2601 -19.4769 49.2601 3.74532 GPRESSAVG: 2050400 23.2966 -10.0128 -20.3786 -10.2842 -25.3523 49.1382 -20.0919 50.1914 3.97459 TIMING: 2050400 CPU: 6545.03, 0.00318318/step Wall: 6545.03, 0.00318318/step, 2.60809 hours remaining, 239.511719 MB of memory in use. ENERGY: 2050400 3969.6305 20393.6931 14337.1012 244.5952 -203510.5647 2751.1038 0.0000 0.0000 51951.2589 -109863.1819 298.5646 -161814.4408 -109491.7933 298.4876 -27.2777 -4.0309 762307.5205 0.4822 0.6396 PRESSURE: 2050600 -234.429 -17.1563 -42.5218 -17.1566 253.811 222.783 -42.5221 222.784 -157.092 GPRESSURE: 2050600 -234.822 -40.5286 -75.818 -69.0112 351.089 133.028 21.8566 273.666 -164.579 PRESSAVG: 2050600 -16.2381 -3.82267 -22.5775 -3.8226 20.3937 39.4045 -22.5775 39.4044 28.4032 GPRESSAVG: 2050600 -17.1126 -4.11803 -22.16 -3.92953 21.2278 40.3161 -21.1629 39.9458 28.7708 TIMING: 2050600 CPU: 6545.67, 0.00316976/step Wall: 6545.67, 0.00316976/step, 2.59691 hours remaining, 239.511719 MB of memory in use. ENERGY: 2050600 3954.4174 20368.8446 14359.7666 234.3269 -203490.6859 2856.3261 0.0000 0.0000 51831.2986 -109885.7057 297.8752 -161717.0043 -109518.1918 298.1026 -45.9033 -16.1042 763227.3238 10.8529 10.9620 PRESSURE: 2050800 -311.108 -180.86 20.1222 -180.858 -253.069 34.6787 20.1215 34.6782 -258.029 GPRESSURE: 2050800 -292.879 -94.8179 30.9003 -190.619 -227.311 44.9674 -15.5262 52.1816 -216.182 PRESSAVG: 2050800 24.936 -46.0683 11.5951 -46.0683 6.60413 34.494 11.5951 34.4939 13.9767 GPRESSAVG: 2050800 25.8565 -47.6093 10.7076 -44.9766 5.83309 33.7732 9.40527 33.453 13.0319 TIMING: 2050800 CPU: 6546.31, 0.00318713/step Wall: 6546.31, 0.00318713/step, 2.61097 hours remaining, 239.511719 MB of memory in use. ENERGY: 2050800 3902.7650 20580.2960 14388.5767 250.3687 -203319.9714 2514.9145 0.0000 0.0000 51912.0387 -109771.0117 298.3392 -161683.0505 -109417.9657 298.3173 -274.0687 -245.4574 763388.8812 15.1723 14.9072 PRESSURE: 2051000 -34.2404 -215.678 227.999 -215.678 -97.3031 94.9403 227.999 94.9404 106.573 GPRESSURE: 2051000 46.3406 -178.313 104.163 -253.879 -79.2845 81.309 205.324 88.672 119.475 PRESSAVG: 2051000 10.5623 -58.2147 -13.637 -58.2147 0.488032 55.7198 -13.637 55.7197 -19.4869 GPRESSAVG: 2051000 11.3516 -55.9054 -11.5515 -57.6227 0.816717 56.8361 -13.4751 53.2267 -19.9551 TIMING: 2051000 CPU: 6546.94, 0.00317421/step Wall: 6546.94, 0.00317421/step, 2.6002 hours remaining, 239.511719 MB of memory in use. ENERGY: 2051000 4039.3220 20397.5552 14471.9047 258.1917 -203782.3631 2763.5029 0.0000 0.0000 51845.9381 -110005.9484 297.9593 -161851.8865 -109648.3758 298.2879 -8.3234 28.8436 761718.0561 -2.8122 -2.5956 PRESSURE: 2051200 23.0315 152.453 -220.257 152.452 -337.944 -93.2265 -220.257 -93.2265 159.359 GPRESSURE: 2051200 93.6406 77.1564 -246.302 158.025 -234.076 -77.9782 -80.1776 -56.7399 108.231 PRESSAVG: 2051200 -7.04647 -42.1195 30.6416 -42.1195 -4.98669 50.1174 30.6415 50.1174 4.65853 GPRESSAVG: 2051200 -7.30102 -43.4138 28.599 -43.4226 -4.95146 49.6255 31.7549 51.5584 5.13639 TIMING: 2051200 CPU: 6547.58, 0.00319399/step Wall: 6547.58, 0.00319399/step, 2.61623 hours remaining, 239.511719 MB of memory in use. ENERGY: 2051200 4018.6124 20599.8284 14376.3046 224.5638 -203742.3728 2714.5945 0.0000 0.0000 51696.6503 -110111.8188 297.1014 -161808.4691 -109756.7525 297.8451 -51.8512 -10.7347 762327.1058 -2.4582 -2.3720 PRESSURE: 2051400 -225.492 219.845 -80.3291 219.844 108.451 97.5817 -80.3292 97.5817 31.3565 GPRESSURE: 2051400 -108.15 96.2594 -82.2427 240.878 79.2314 105.145 -43.085 105.995 29.5054 PRESSAVG: 2051400 3.1141 -1.56874 -5.88817 -1.56876 15.39 5.42114 -5.88812 5.4211 -3.6988 GPRESSAVG: 2051400 3.97803 0.634227 -5.29375 -2.95572 14.9181 4.64666 -6.37817 5.88739 -4.22287 TIMING: 2051400 CPU: 6548.21, 0.00316964/step Wall: 6548.21, 0.00316964/step, 2.59611 hours remaining, 239.511719 MB of memory in use. ENERGY: 2051400 3902.1265 20517.6135 14385.3631 263.9524 -203675.2087 2736.4108 0.0000 0.0000 51723.4209 -110146.3216 297.2552 -161869.7425 -109784.9697 297.8601 -28.5612 0.1956 763709.6314 4.9351 4.8911 PRESSURE: 2051600 -138.719 -62.3837 -175.678 -62.3843 263.965 190.935 -175.677 190.935 -73.6361 GPRESSURE: 2051600 -163.72 85.7138 -227.386 -89.0627 248.675 179.696 -107.664 219.783 46.5837 PRESSAVG: 2051600 11.9615 -14.8689 -36.2154 -14.8689 1.9222 15.6556 -36.2153 15.6557 10.6845 GPRESSAVG: 2051600 10.6925 -14.458 -36.8055 -13.5191 1.57865 16.8928 -34.5637 15.2664 12.1064 TIMING: 2051600 CPU: 6548.85, 0.00317639/step Wall: 6548.85, 0.00317639/step, 2.60146 hours remaining, 239.511719 MB of memory in use. ENERGY: 2051600 3913.2410 20637.3106 14447.0188 251.0520 -203768.9651 2773.0078 0.0000 0.0000 51679.0019 -110068.3330 296.9999 -161747.3349 -109715.4072 297.5492 17.2033 43.8462 762180.9701 8.1894 8.1258 PRESSURE: 2051800 185.053 202.972 -182.705 202.973 -53.587 -92.6543 -182.706 -92.6542 -394.874 GPRESSURE: 2051800 175.187 157.074 -182.321 144.096 -26.8896 -109.875 -127.423 -112.436 -327.353 PRESSAVG: 2051800 16.5698 -31.8537 -33.2046 -31.8537 -17.5978 -31.1833 -33.2046 -31.1833 -10.7905 GPRESSAVG: 2051800 16.7392 -35.237 -33.1846 -32.5406 -16.6065 -30.9376 -34.8052 -30.839 -11.7125 TIMING: 2051800 CPU: 6549.49, 0.00320362/step Wall: 6549.49, 0.00320362/step, 2.62359 hours remaining, 239.511719 MB of memory in use. ENERGY: 2051800 3978.3109 20451.8524 14413.0026 227.2870 -203698.5594 2628.9310 0.0000 0.0000 51903.1890 -110095.9864 298.2883 -161999.1754 -109738.8734 297.9871 -87.8027 -59.6854 762653.2301 -3.9395 -3.8599 PRESSURE: 2052000 -42.9819 -65.8177 157.214 -65.8183 -206.78 -221.543 157.214 -221.543 -20.1255 GPRESSURE: 2052000 24.6564 49.3482 172.528 -19.328 -143.432 -338.104 30.0531 -215.587 -65.2831 PRESSAVG: 2052000 0.941318 -27.3675 -34.7404 -27.3675 -7.21195 2.76415 -34.7404 2.76409 20.7738 GPRESSAVG: 2052000 1.16141 -24.795 -34.5607 -26.9494 -7.42245 1.18525 -34.6234 5.20099 20.7483 TIMING: 2052000 CPU: 6550.13, 0.00319078/step Wall: 6550.13, 0.00319078/step, 2.6129 hours remaining, 239.511719 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: 2052000 4089.0914 20546.3685 14531.6114 252.5699 -203731.3661 2839.3513 0.0000 0.0000 51676.6429 -109795.7308 296.9864 -161472.3736 -109448.8305 298.1362 -89.9623 -61.3529 760780.7312 4.8344 4.8291 PRESSURE: 2052200 29.2417 110.352 -183.53 110.352 -242.568 195.421 -183.531 195.421 -323.337 GPRESSURE: 2052200 78.2498 51.4707 -151.503 -8.2554 -377.114 171.787 -136.286 55.7706 -173.566 PRESSAVG: 2052200 82.5572 9.11289 -34.6667 9.11292 -56.151 -5.99925 -34.6667 -5.9993 -21.7464 GPRESSAVG: 2052200 81.4832 5.31154 -35.9687 9.70156 -56.3634 -6.0819 -33.323 -9.95416 -20.4709 TIMING: 2052200 CPU: 6550.76, 0.00317804/step Wall: 6550.76, 0.00317804/step, 2.60228 hours remaining, 239.511719 MB of memory in use. ENERGY: 2052200 3973.4819 20477.0471 14446.0097 239.5657 -203724.0630 2796.9876 0.0000 0.0000 52006.6672 -109784.3039 298.8830 -161790.9711 -109419.3463 298.4111 -178.8879 -157.4769 763732.9983 1.5533 1.5496 LDB: ============= START OF LOAD BALANCING ============== 6563.22 LDB: ============== END OF LOAD BALANCING =============== 6563.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6563.22 LDB: ============= START OF LOAD BALANCING ============== 6563.54 LDB: Largest compute 7071 load 0.035022 is 17.9% of average load 0.195192 LDB: Average compute 0.004380 is 2.2% of average load 0.195192 LDB: TIME 6563.54 LOAD: AVG 0.195192 MAX 0.213214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.539 MB LDB: TIME 6563.54 LOAD: AVG 0.195192 MAX 0.213214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: TIME 6563.54 LOAD: AVG 0.195192 MAX 0.213214 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: ============== END OF LOAD BALANCING =============== 6563.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6563.55 PRESSURE: 2052400 91.8474 24.0027 -27.1169 24.0024 92.036 -6.92757 -27.1179 -6.92763 -269.549 GPRESSURE: 2052400 128.313 -8.68603 -83.1426 63.4652 128.838 24.4881 -19.4301 -82.8736 -250.738 PRESSAVG: 2052400 7.8993 16.5142 -17.0862 16.5142 44.7031 34.1535 -17.0863 34.1535 -0.677705 GPRESSAVG: 2052400 8.7657 19.9124 -16.8658 15.9128 44.5502 35.2996 -18.3496 33.919 -1.58456 TIMING: 2052400 CPU: 6551.41, 0.00325496/step Wall: 6551.41, 0.00325496/step, 2.66509 hours remaining, 239.312500 MB of memory in use. ENERGY: 2052400 3996.3671 20317.2365 14448.3338 246.6639 -203654.2659 2862.5877 0.0000 0.0000 51860.4486 -109922.6282 298.0427 -161783.0769 -109559.8979 298.4249 -28.5550 2.1378 761994.2578 17.3082 17.2438 PRESSURE: 2052600 -105.173 -194.228 3.33046 -194.228 -103.617 243.269 3.32998 243.269 -138.165 GPRESSURE: 2052600 -109.736 -286.389 39.5993 -151.017 -60.0891 161.008 0.737253 198.31 -96.5822 PRESSAVG: 2052600 -24.5523 -18.1668 -12.1822 -18.1668 38.3931 10.4659 -12.1822 10.4659 5.09466 GPRESSAVG: 2052600 -23.9645 -19.7482 -10.5489 -16.5664 38.4219 9.4571 -11.1342 12.0503 5.09989 TIMING: 2052600 CPU: 6552.06, 0.0032091/step Wall: 6552.06, 0.0032091/step, 2.62736 hours remaining, 239.312500 MB of memory in use. ENERGY: 2052600 3951.1896 20451.9900 14448.1480 262.3138 -203618.6802 2578.9336 0.0000 0.0000 51902.0082 -110024.0969 298.2816 -161926.1052 -109655.6343 297.7189 -115.6517 -88.8023 763789.8873 6.3118 6.5191 PRESSURE: 2052800 -37.4041 -78.4145 230.838 -78.4146 26.2358 310.697 230.838 310.697 107.517 GPRESSURE: 2052800 -138.578 -29.2205 245.619 -47.045 188.38 387.204 251.8 191.137 113.501 PRESSAVG: 2052800 -23.9357 15.3716 0.437151 15.3716 23.7005 37.6076 0.437149 37.6075 -5.52859 GPRESSAVG: 2052800 -24.6261 13.4333 -0.241607 15.0595 24.0599 39.7196 0.0338093 36.5969 -4.98341 TIMING: 2052800 CPU: 6552.7, 0.00320223/step Wall: 6552.7, 0.00320223/step, 2.62156 hours remaining, 239.312500 MB of memory in use. ENERGY: 2052800 4041.9658 20522.9478 14439.2434 258.9986 -203925.5408 2935.6420 0.0000 0.0000 51966.9843 -109759.7588 298.6550 -161726.7431 -109398.6811 298.2740 32.1161 54.4344 762326.2928 -1.9213 -1.8499 PRESSURE: 2053000 154.514 12.4832 -95.0842 12.4823 -185.53 65.0258 -95.0851 65.0245 -557.778 GPRESSURE: 2053000 108.226 9.5825 -48.4455 58.788 -42.2455 100.163 -115.616 196.016 -570.073 PRESSAVG: 2053000 -16.1989 20.942 -32.8784 20.942 2.62438 -23.931 -32.8784 -23.931 -8.60012 GPRESSAVG: 2053000 -14.7019 20.838 -31.8576 22.089 2.01662 -25.0595 -33.5317 -23.566 -9.52 TIMING: 2053000 CPU: 6553.34, 0.00319486/step Wall: 6553.34, 0.00319486/step, 2.61535 hours remaining, 239.312500 MB of memory in use. ENERGY: 2053000 4108.8158 20535.0913 14419.4225 234.5112 -203649.2064 2743.8192 0.0000 0.0000 51919.2379 -109688.3086 298.3806 -161607.5465 -109328.3305 298.6289 -196.2647 -168.0308 763762.3487 -7.3915 -7.4018 PRESSURE: 2053200 58.9382 259.298 5.90067 259.298 219.775 -220.789 5.9004 -220.789 652.071 GPRESSURE: 2053200 97.4833 182.781 -13.5588 252.265 317.705 -140.291 -35.304 -147.503 599.851 PRESSAVG: 2053200 -25.6893 14.069 -44.5857 14.0691 16.8229 -35.2672 -44.5857 -35.2671 -18.7568 GPRESSAVG: 2053200 -28.0192 15.5462 -45.4467 11.0778 17.9254 -33.5278 -44.7131 -33.557 -17.5666 TIMING: 2053200 CPU: 6553.97, 0.00318392/step Wall: 6553.97, 0.00318392/step, 2.60621 hours remaining, 239.312500 MB of memory in use. ENERGY: 2053200 3908.7542 20339.9783 14443.8916 248.4901 -203635.7067 2930.9371 0.0000 0.0000 51824.0340 -109939.6214 297.8334 -161763.6554 -109570.9135 297.9263 310.2613 338.3464 764113.0810 -9.2077 -9.2201 PRESSURE: 2053400 -341.164 126.87 -5.1685 126.87 -12.5347 -107.2 -5.16837 -107.2 -51.6823 GPRESSURE: 2053400 -260.31 150.678 86.1531 19.231 -23.0513 -102.727 -103.52 -115.08 -55.3702 PRESSAVG: 2053400 13.18 -2.06413 -49.5933 -2.06415 29.5071 8.02873 -49.5933 8.02874 21.6928 GPRESSAVG: 2053400 15.3999 0.0839156 -49.0928 -1.21119 28.6979 5.24228 -49.8283 8.8099 20.7931 TIMING: 2053400 CPU: 6554.61, 0.00319951/step Wall: 6554.61, 0.00319951/step, 2.6188 hours remaining, 239.312500 MB of memory in use. ENERGY: 2053400 4027.4592 20629.4270 14397.1778 240.1635 -203584.9977 2671.5023 0.0000 0.0000 51793.2634 -109826.0045 297.6566 -161619.2680 -109462.6971 298.0697 -135.1269 -112.9107 763642.9930 21.4600 21.6303 PRESSURE: 2053600 -146.459 -62.6517 -197.104 -62.6513 -381.007 94.858 -197.105 94.8582 174.99 GPRESSURE: 2053600 -107.308 -60.3624 -190.03 15.8545 -325.148 186.482 -132.315 163.12 176.782 PRESSAVG: 2053600 -52.9686 -22.0208 3.27451 -22.0207 37.7463 28.5489 3.2745 28.5488 -4.87084 GPRESSAVG: 2053600 -54.4839 -23.9629 0.478193 -21.7087 38.3535 28.7111 6.27516 26.5474 -3.99909 TIMING: 2053600 CPU: 6555.25, 0.00317916/step Wall: 6555.25, 0.00317916/step, 2.60196 hours remaining, 239.312500 MB of memory in use. ENERGY: 2053600 4047.3015 20288.4400 14453.4143 247.6140 -203233.7161 2499.3983 0.0000 0.0000 52146.1984 -109551.3495 299.6849 -161697.5479 -109176.5466 298.7030 -117.4919 -85.2245 764040.9645 -6.6977 -6.7098 PRESSURE: 2053800 145.219 52.4884 27.2678 52.4887 18.6948 -155.561 27.2673 -155.563 430.175 GPRESSURE: 2053800 152.958 94.8917 99.0052 85.1638 160.971 -44.9485 -80.5833 -53.5612 367.531 PRESSAVG: 2053800 4.87658 28.6254 -22.3135 28.6254 -21.9833 -8.87542 -22.3135 -8.87544 16.901 GPRESSAVG: 2053800 5.3814 29.3949 -21.3996 27.1237 -22.9501 -7.04637 -24.8284 -7.92205 17.0694 TIMING: 2053800 CPU: 6555.88, 0.00317553/step Wall: 6555.88, 0.00317553/step, 2.59882 hours remaining, 239.312500 MB of memory in use. ENERGY: 2053800 4032.5575 20427.1712 14497.9679 246.0210 -203919.2003 3032.4556 0.0000 0.0000 52055.2844 -109627.7426 299.1624 -161683.0271 -109268.9484 298.9932 198.0295 227.1535 760637.2542 -0.0686 -0.1664 PRESSURE: 2054000 107.101 1.44177 -152.082 1.44152 -187.932 -50.2186 -152.083 -50.2184 110.124 GPRESSURE: 2054000 45.2281 -65.1809 -205.689 7.32741 -85.3914 -50.7753 -93.2728 -95.4674 131.93 PRESSAVG: 2054000 66.2364 -13.6256 -70.9173 -13.6256 7.72946 0.0547935 -70.9173 0.0548258 -5.08919 GPRESSAVG: 2054000 66.3473 -15.5912 -70.6706 -11.5562 9.55768 -1.06228 -70.0572 0.0475262 -7.16298 TIMING: 2054000 CPU: 6556.51, 0.00315125/step Wall: 6556.51, 0.00315125/step, 2.57877 hours remaining, 239.312500 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: 2054000 4011.8564 20603.5806 14451.0573 260.9521 -203597.2632 2739.8988 0.0000 0.0000 52088.3198 -109441.5981 299.3523 -161529.9179 -109077.2422 299.0729 9.7644 30.5888 763276.9811 22.9589 22.9140 PRESSURE: 2054200 -10.4002 -39.9384 15.7064 -39.9379 -393.419 69.2155 15.7065 69.2139 31.6588 GPRESSURE: 2054200 -14.1061 -122.42 -29.5118 15.0973 -337.075 83.3765 13.429 116.912 72.1986 PRESSAVG: 2054200 47.4774 -29.0276 5.00318 -29.0276 -77.1343 24.4836 5.00314 24.4836 -29.3095 GPRESSAVG: 2054200 48.4371 -28.1657 4.44627 -29.3055 -78.5238 24.3906 3.84936 21.036 -28.3249 TIMING: 2054200 CPU: 6557.15, 0.00317342/step Wall: 6557.15, 0.00317342/step, 2.59674 hours remaining, 239.312500 MB of memory in use. ENERGY: 2054200 4064.0941 20479.8877 14443.3617 250.5616 -203083.1879 2408.2006 0.0000 0.0000 52165.3834 -109271.6989 299.7952 -161437.0822 -108914.0112 299.1899 -124.0535 -92.9943 763095.3149 -19.6554 -19.4706 PRESSURE: 2054400 -408.116 165.661 54.2913 165.662 -255.261 -29.3672 54.2905 -29.3669 -18.4682 GPRESSURE: 2054400 -423.542 245.223 101.937 47.5356 -177.332 -10.2883 -14.6709 -219.979 -4.91123 PRESSAVG: 2054400 -5.51383 -55.849 -8.64815 -55.849 -3.72186 13.9593 -8.64813 13.9593 -6.70544 GPRESSAVG: 2054400 -6.16485 -56.3811 -5.7865 -57.0936 -3.02571 13.3314 -8.76618 17.379 -6.12849 TIMING: 2054400 CPU: 6557.79, 0.00320204/step Wall: 6557.79, 0.00320204/step, 2.61998 hours remaining, 239.312500 MB of memory in use. ENERGY: 2054400 4024.9153 20453.6336 14458.2658 238.1816 -203339.2166 2539.6982 0.0000 0.0000 52027.4798 -109597.0422 299.0026 -161624.5221 -109228.1271 299.0850 -227.2817 -201.9284 761583.9610 -5.3137 -5.1063 PRESSURE: 2054600 344.948 -45.8681 -207.545 -45.8688 158.71 199.779 -207.544 199.779 59.1641 GPRESSURE: 2054600 364.916 -113.012 -176.984 -129.118 253.461 226.261 -103.79 103.693 8.25644 PRESSAVG: 2054600 32.591 18.0769 -19.4593 18.0769 -12.1039 3.50225 -19.4593 3.50238 5.84879 GPRESSAVG: 2054600 32.8358 18.5043 -21.9293 18.3437 -10.5844 4.62042 -19.0397 -0.289154 4.5419 TIMING: 2054600 CPU: 6558.43, 0.00319423/step Wall: 6558.43, 0.00319423/step, 2.61341 hours remaining, 239.312500 MB of memory in use. ENERGY: 2054600 4064.1166 20631.5180 14468.0007 229.7538 -203533.4783 2733.8179 0.0000 0.0000 52130.7765 -109275.4947 299.5963 -161406.2713 -108910.0120 299.3255 187.6073 208.8778 761395.6745 8.7786 8.9311 PRESSURE: 2054800 -8.98915 63.7532 -184.531 63.7521 -142.818 99.8734 -184.532 99.8741 198.096 GPRESSURE: 2054800 56.9557 92.6953 -18.2746 97.4761 -69.0137 175.577 -87.0417 179.325 159.679 PRESSAVG: 2054800 43.0552 6.02207 -27.9093 6.02203 -34.7228 36.9979 -27.9093 36.9979 17.5621 GPRESSAVG: 2054800 44.056 7.84669 -27.8753 6.07221 -37.167 38.9503 -24.9154 38.6704 18.5938 TIMING: 2054800 CPU: 6559.05, 0.00313347/step Wall: 6559.05, 0.00313347/step, 2.56353 hours remaining, 239.312500 MB of memory in use. ENERGY: 2054800 3984.3059 20442.5544 14564.4628 231.6896 -203328.9734 2592.4687 0.0000 0.0000 52254.2750 -109259.2170 300.3060 -161513.4921 -108886.9940 299.6905 15.4297 49.2069 761447.2424 8.6315 8.4942 PRESSURE: 2055000 49.2386 -128.588 117.792 -128.589 -204.266 -29.3932 117.793 -29.3935 84.4845 GPRESSURE: 2055000 123.883 -159.755 72.2938 -200.902 -241.647 -43.7996 118.497 -148.372 133.027 PRESSAVG: 2055000 -42.5397 -55.3236 -9.55673 -55.3236 19.9922 -14.1423 -9.55674 -14.1423 -4.10686 GPRESSAVG: 2055000 -43.778 -56.4959 -9.32233 -55.3527 20.9787 -16.3965 -10.8451 -12.7365 -3.88378 TIMING: 2055000 CPU: 6559.69, 0.00317022/step Wall: 6559.69, 0.00317022/step, 2.59342 hours remaining, 239.312500 MB of memory in use. ENERGY: 2055000 3932.9007 20434.2092 14423.8987 259.9548 -203258.3954 2744.2968 0.0000 0.0000 52224.4116 -109238.7236 300.1344 -161463.1352 -108857.3970 299.8832 -23.5143 5.0878 762927.9471 -8.8848 -8.8944 PRESSURE: 2055200 213.344 19.2743 -26.2658 19.2741 270.574 130.15 -26.2656 130.15 62.5109 GPRESSURE: 2055200 156.339 -43.3773 -52.4122 -21.1289 381.774 172.121 51.7284 106.696 101.32 PRESSAVG: 2055200 -22.7782 -48.995 -6.12311 -48.995 7.26085 28.8089 -6.12316 28.8091 35.7996 GPRESSAVG: 2055200 -22.7824 -48.8311 -5.31176 -49.0546 8.02815 28.54 -6.30605 28.0494 35.3134 TIMING: 2055200 CPU: 6560.33, 0.00319585/step Wall: 6560.33, 0.00319585/step, 2.61421 hours remaining, 239.312500 MB of memory in use. ENERGY: 2055200 3934.4790 20389.0138 14494.0440 239.6852 -203500.1494 2704.5204 0.0000 0.0000 52051.4093 -109686.9977 299.1402 -161738.4070 -109323.6231 298.9681 182.1429 213.1443 760101.4806 6.7608 6.8531 PRESSURE: 2055400 -64.7921 -55.1977 18.5645 -55.1977 73.7713 125.514 18.5642 125.515 69.3545 GPRESSURE: 2055400 -2.49345 -76.0181 -13.5065 -62.5034 75.3174 185.994 -187.247 35.9235 70.9319 PRESSAVG: 2055400 -0.819383 -27.6303 -3.89551 -27.6303 17.5208 53.0826 -3.8955 53.0825 -0.548733 GPRESSAVG: 2055400 -0.895482 -28.3033 -4.35002 -28.2721 17.7863 53.8727 -4.39169 54.3201 -1.09235 TIMING: 2055400 CPU: 6560.96, 0.00317971/step Wall: 6560.96, 0.00317971/step, 2.60083 hours remaining, 239.312500 MB of memory in use. ENERGY: 2055400 3959.9038 20615.8361 14455.7782 250.4446 -203355.4598 2762.9283 0.0000 0.0000 51968.3977 -109342.1712 298.6631 -161310.5689 -108983.3539 298.8681 26.1112 47.9186 762136.9282 5.3842 5.2661 PRESSURE: 2055600 23.2789 177.518 56.1454 177.519 -456.624 127.357 56.146 127.357 -467.102 GPRESSURE: 2055600 46.957 163.267 63.8797 142.187 -497.623 154.941 176.385 84.9165 -369.929 PRESSAVG: 2055600 -68.4474 -6.15385 -21.9275 -6.15385 -24.0597 3.20676 -21.9274 3.20677 -10.971 GPRESSAVG: 2055600 -69.1705 -6.36692 -22.5208 -5.3964 -23.5081 3.02475 -20.4395 2.07578 -10.4617 TIMING: 2055600 CPU: 6561.6, 0.00318814/step Wall: 6561.6, 0.00318814/step, 2.60755 hours remaining, 239.312500 MB of memory in use. ENERGY: 2055600 3988.2997 20352.8476 14537.4110 246.2754 -202667.3361 2190.4862 0.0000 0.0000 51977.9057 -109374.1104 298.7177 -161352.0161 -109003.7301 299.2163 -300.1490 -273.5317 762918.5474 -34.4927 -34.3801 PRESSURE: 2055800 248.176 -33.4092 252.295 -33.4092 81.6751 -430.579 252.295 -430.579 -100.14 GPRESSURE: 2055800 266.539 43.5505 132.784 11.9678 47.7582 -378.659 68.5594 -420.985 -15.7177 PRESSAVG: 2055800 -5.94536 4.90088 -25.3553 4.90092 -30.1663 -24.7586 -25.3553 -24.7585 18.4099 GPRESSAVG: 2055800 -5.37493 5.34238 -25.0226 4.59969 -31.0777 -23.4461 -26.8282 -25.3051 18.9199 TIMING: 2055800 CPU: 6562.23, 0.0031588/step Wall: 6562.23, 0.0031588/step, 2.58337 hours remaining, 239.312500 MB of memory in use. ENERGY: 2055800 3895.6838 20566.3589 14419.8938 248.8619 -203169.4562 2539.9819 0.0000 0.0000 51992.6932 -109505.9828 298.8027 -161498.6759 -109133.6659 299.0963 76.5705 99.5265 763096.2847 -5.9006 -5.8442 PRESSURE: 2056000 36.0439 -167.113 114.203 -167.112 -107.047 -90.4526 114.204 -90.4526 -311.098 GPRESSURE: 2056000 102.708 -121.138 195.36 -207.224 -124.144 -114.638 -3.95554 -187.585 -276.049 PRESSAVG: 2056000 3.39242 27.0246 -12.8235 27.0246 0.464337 -24.1551 -12.8235 -24.155 4.53764 GPRESSAVG: 2056000 3.25899 26.0185 -11.8299 29.2498 1.77836 -26.5101 -11.9456 -23.9637 3.3457 TIMING: 2056000 CPU: 6562.87, 0.00318518/step Wall: 6562.87, 0.00318518/step, 2.60477 hours remaining, 239.312500 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: 2056000 4015.6919 20368.8025 14461.3905 252.8174 -203422.8667 2483.4227 0.0000 0.0000 52107.4786 -109733.2630 299.4624 -161840.7417 -109364.6117 298.5932 -127.3669 -99.1616 762845.5141 2.7981 2.7944 PRESSURE: 2056200 5.30567 57.4071 134.54 57.4064 44.1617 120.445 134.54 120.443 -191.676 GPRESSURE: 2056200 -56.2529 107.764 186.273 123.708 103.796 62.3879 55.6055 76.5887 -106.043 PRESSAVG: 2056200 12.195 -60.976 -13.6673 -60.976 -21.0168 -5.60909 -13.6672 -5.6091 -15.652 GPRESSAVG: 2056200 11.9561 -59.0884 -15.2321 -63.7746 -21.2697 -5.61687 -12.9057 -3.87276 -15.1793 TIMING: 2056200 CPU: 6563.5, 0.00317538/step Wall: 6563.5, 0.00317538/step, 2.59657 hours remaining, 239.312500 MB of memory in use. ENERGY: 2056200 4000.9524 20731.2726 14451.2315 264.1989 -203596.8876 2621.3290 0.0000 0.0000 51951.9289 -109575.9743 298.5684 -161527.9032 -109211.0587 298.7941 -47.4029 -19.5001 762139.7208 -8.1579 -8.1643 LDB: ============= START OF LOAD BALANCING ============== 6575.96 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6575.96 LDB: =============== DONE WITH MIGRATION ================ 6575.96 LDB: ============= START OF LOAD BALANCING ============== 6576.28 LDB: Largest compute 7071 load 0.036522 is 18.7% of average load 0.195184 LDB: Average compute 0.004383 is 2.2% of average load 0.195184 LDB: TIME 6576.28 LOAD: AVG 0.195184 MAX 0.211842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.336 MB LDB: TIME 6576.28 LOAD: AVG 0.195184 MAX 0.211842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: TIME 6576.28 LOAD: AVG 0.195184 MAX 0.211842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: ============== END OF LOAD BALANCING =============== 6576.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6576.29 Info: useSync: 0 useProxySync: 0 PRESSURE: 2056400 -138.908 -119.821 -12.7043 -119.822 24.8311 -71.7052 -12.7045 -71.7059 94.4493 GPRESSURE: 2056400 -59.4773 38.1297 -36.2321 -78.5809 94.4591 -64.9055 -70.5928 -37.9925 22.3043 PRESSAVG: 2056400 63.3705 -21.8969 -8.66361 -21.8969 -37.9133 54.9667 -8.66362 54.9667 24.9455 GPRESSAVG: 2056400 63.8526 -23.2156 -8.68464 -21.2287 -37.6182 57.1205 -8.70579 53.2324 24.2025 TIMING: 2056400 CPU: 6564.15, 0.00324641/step Wall: 6564.15, 0.00324641/step, 2.65448 hours remaining, 241.625000 MB of memory in use. ENERGY: 2056400 3906.9696 20495.0148 14489.9750 249.6369 -203700.9065 2822.8301 0.0000 0.0000 51994.5221 -109741.9580 298.8132 -161736.4801 -109376.5889 298.7044 -6.5427 19.0954 761858.4783 16.8009 16.8123 PRESSURE: 2056600 -102.138 -131.881 5.3449 -131.881 213.968 44.1648 5.34528 44.1654 -6.02068 GPRESSURE: 2056600 -22.0851 -125.377 13.2396 8.56341 180.197 10.3005 11.3856 38.018 34.125 PRESSAVG: 2056600 27.9485 -0.32204 14.6376 -0.322007 -25.1984 -12.7662 14.6377 -12.7662 -5.30226 GPRESSAVG: 2056600 29.3723 0.580125 16.2692 -0.47006 -27.2795 -14.4862 12.7772 -11.7484 -4.9368 TIMING: 2056600 CPU: 6564.79, 0.00317929/step Wall: 6564.79, 0.00317929/step, 2.59943 hours remaining, 241.625000 MB of memory in use. ENERGY: 2056600 4024.2582 20465.7588 14468.7229 250.9009 -203765.5448 2838.8869 0.0000 0.0000 52014.5511 -109702.4660 298.9283 -161717.0171 -109340.9546 298.6979 35.2700 64.0790 760782.6094 -0.8507 -0.9480 PRESSURE: 2056800 170.584 22.0038 -68.7756 22.0035 84.7637 51.9202 -68.7761 51.9196 317.252 GPRESSURE: 2056800 149.852 -69.2074 -141.983 -12.8342 114.526 56.4182 -20.249 25.3467 376.008 PRESSAVG: 2056800 -32.4735 -40.8001 23.0327 -40.8001 4.47878 -9.77317 23.0327 -9.77316 1.67103 GPRESSAVG: 2056800 -32.8455 -40.8189 21.8131 -40.0171 3.62937 -9.22967 25.7906 -9.29877 2.76473 TIMING: 2056800 CPU: 6565.43, 0.00319773/step Wall: 6565.43, 0.00319773/step, 2.61432 hours remaining, 241.625000 MB of memory in use. ENERGY: 2056800 3991.1551 20681.3739 14468.7583 230.5887 -203881.1135 2716.3320 0.0000 0.0000 52118.0776 -109674.8278 299.5233 -161792.9054 -109309.7796 298.8432 190.8666 213.4621 760162.8412 -8.7746 -8.8171 PRESSURE: 2057000 -566.185 -62.0218 -93.7438 -62.0219 -164 -161.025 -93.7434 -161.024 -10.4063 GPRESSURE: 2057000 -494.438 10.1398 -96.2981 -76.6775 -98.9985 -105.882 -120.607 -63.2178 -71.0685 PRESSAVG: 2057000 -7.22925 -48.0326 -20.993 -48.0326 -15.3969 -9.83271 -20.9931 -9.83271 2.8608 GPRESSAVG: 2057000 -7.20441 -49.1318 -20.3377 -49.588 -14.0515 -8.98002 -22.8369 -10.3957 2.15544 TIMING: 2057000 CPU: 6566.06, 0.00316871/step Wall: 6566.06, 0.00316871/step, 2.59042 hours remaining, 241.625000 MB of memory in use. ENERGY: 2057000 4055.0076 20433.3093 14501.4337 257.9875 -203761.1314 2640.5036 0.0000 0.0000 52321.4610 -109551.4286 300.6922 -161872.8896 -109191.0394 299.1033 -246.8637 -221.5017 761010.4525 -6.5885 -6.3668 PRESSURE: 2057200 -231.212 -233.444 125.576 -233.444 -259.378 -126.337 125.575 -126.337 -253.943 GPRESSURE: 2057200 -197.082 -226.694 107.738 -172.244 -188.071 -140.089 80.5549 -88.8182 -263.06 PRESSAVG: 2057200 17.9918 -69.6512 -49.9242 -69.6512 -6.24259 20.7812 -49.9243 20.7814 5.37717 GPRESSAVG: 2057200 17.7551 -69.1407 -49.7577 -68.0378 -5.64261 20.1855 -48.3705 20.9806 5.77171 TIMING: 2057200 CPU: 6566.7, 0.00318445/step Wall: 6566.7, 0.00318445/step, 2.60311 hours remaining, 241.625000 MB of memory in use. ENERGY: 2057200 4052.1866 20464.4966 14439.6352 237.5363 -203154.5974 2285.0189 0.0000 0.0000 51912.8873 -109762.8366 298.3441 -161675.7239 -109405.4795 299.1506 -248.1774 -216.0712 762618.4994 5.7088 5.9614 PRESSURE: 2057400 375.771 111.309 -82.6313 111.31 -168.446 -141.315 -82.6316 -141.316 563.441 GPRESSURE: 2057400 424.239 -36.8207 -98.2746 130.528 -102.932 -116.602 -115.614 -226.058 549.078 PRESSAVG: 2057400 -77.6931 -66.6868 3.51745 -66.6868 23.464 42.2982 3.51746 42.2983 19.6791 GPRESSAVG: 2057400 -76.3596 -67.2867 3.73924 -67.8773 22.3923 40.8247 2.09101 43.4018 19.4023 TIMING: 2057400 CPU: 6567.33, 0.00316145/step Wall: 6567.33, 0.00316145/step, 2.58414 hours remaining, 241.625000 MB of memory in use. ENERGY: 2057400 3938.7845 20449.5028 14523.0269 246.1528 -203807.8631 2766.3860 0.0000 0.0000 52200.0886 -109683.9215 299.9946 -161884.0101 -109316.9989 298.7344 256.9219 290.1285 760950.6966 -11.5167 -11.5217 PRESSURE: 2057600 66.8224 96.9358 137.083 96.9358 98.2483 145.089 137.084 145.088 317.083 GPRESSURE: 2057600 144.017 186.235 129.797 86.7621 100.868 66.2565 101.533 193.741 334.568 PRESSAVG: 2057600 12.3124 -47.3193 -69.3961 -47.3192 -9.68209 18.9462 -69.3961 18.9462 3.36341 GPRESSAVG: 2057600 11.7691 -47.2842 -71.3073 -46.7549 -7.50039 19.387 -69.6058 16.8678 2.49467 TIMING: 2057600 CPU: 6567.97, 0.00316794/step Wall: 6567.97, 0.00316794/step, 2.58926 hours remaining, 241.625000 MB of memory in use. ENERGY: 2057600 4068.6814 20579.4047 14408.4753 246.1299 -203840.3432 2706.9124 0.0000 0.0000 52148.9515 -109681.7881 299.7007 -161830.7397 -109328.5123 298.9266 160.7179 193.1510 759784.9806 1.9979 2.2545 PRESSURE: 2057800 -166.1 44.9244 83.7981 44.9257 -69.2402 46.6716 83.7981 46.6714 -235.371 GPRESSURE: 2057800 -152.301 94.7393 148.913 48.991 -4.10083 -71.7331 50.7629 109.226 -240.481 PRESSAVG: 2057800 -6.99928 2.28354 -34.0793 2.28349 -38.9342 -25.0532 -34.0793 -25.0532 -14.7619 GPRESSAVG: 2057800 -8.93118 2.97408 -31.9049 2.801 -39.0001 -24.0222 -34.1466 -23.3989 -12.7711 TIMING: 2057800 CPU: 6568.6, 0.003159/step Wall: 6568.6, 0.003159/step, 2.58178 hours remaining, 241.625000 MB of memory in use. ENERGY: 2057800 4044.0331 20496.3019 14527.5516 239.0812 -203418.0806 2661.8648 0.0000 0.0000 51826.9930 -109622.2548 297.8504 -161449.2478 -109268.1667 299.3192 -156.9038 -132.2942 761287.8876 -20.2318 -20.2341 PRESSURE: 2058000 -384.285 -63.3292 -242.447 -63.3292 -124.675 42.6261 -242.447 42.6266 -105.374 GPRESSURE: 2058000 -298.058 -19.7661 -267.103 -98.6539 -141.097 6.28326 -195.7 37.6391 -88.8732 PRESSAVG: 2058000 -41.9573 -17.9048 -7.59914 -17.9048 -4.48497 -9.35775 -7.59911 -9.3577 -7.18159 GPRESSAVG: 2058000 -40.1409 -18.9209 -7.51447 -18.2768 -4.24837 -10.8706 -7.94686 -9.05359 -8.97652 TIMING: 2058000 CPU: 6569.24, 0.00319912/step Wall: 6569.24, 0.00319912/step, 2.61439 hours remaining, 241.625000 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: 2058000 3966.2995 20317.0349 14562.9560 260.1508 -203281.1153 2534.4519 0.0000 0.0000 52248.1250 -109392.0973 300.2707 -161640.2223 -109028.2961 299.3579 -204.7784 -176.0095 763009.0753 -17.8746 -17.7886 PRESSURE: 2058200 11.0242 -192.199 -68.6582 -192.199 -187.341 178.975 -68.6576 178.974 2.59168 GPRESSURE: 2058200 134.088 -192.932 -97.8025 -156.289 -238.094 200.724 -92.3447 69.5004 -5.48205 PRESSAVG: 2058200 -22.119 -77.1176 -12.3095 -77.1177 12.823 83.3785 -12.3095 83.3785 -4.6818 GPRESSAVG: 2058200 -23.0263 -76.1553 -13.0126 -77.9036 13.1904 84.0056 -10.7249 81.9426 -4.43122 TIMING: 2058200 CPU: 6569.88, 0.00320874/step Wall: 6569.88, 0.00320874/step, 2.62208 hours remaining, 241.625000 MB of memory in use. ENERGY: 2058200 3953.1162 20441.7159 14519.6245 234.4389 -202890.7624 2401.1316 0.0000 0.0000 51906.1963 -109434.5390 298.3056 -161340.7353 -109067.9580 299.4667 -57.9084 -36.4959 762600.8610 -4.6593 -4.7557 PRESSURE: 2058400 201.967 150.153 -211.371 150.153 296.292 -74.8168 -211.371 -74.8162 -165.189 GPRESSURE: 2058400 153.409 130.804 -263.97 226.808 339.017 -185.423 -217.517 -144.649 -82.2625 PRESSAVG: 2058400 53.5411 -31.5856 -1.25811 -31.5856 -41.3973 -26.8391 -1.25813 -26.839 -26.2747 GPRESSAVG: 2058400 55.1139 -31.7185 -0.479069 -31.3725 -42.399 -27.1912 -2.86025 -26.7958 -26.7423 TIMING: 2058400 CPU: 6570.51, 0.0031793/step Wall: 6570.51, 0.0031793/step, 2.59784 hours remaining, 241.625000 MB of memory in use. ENERGY: 2058400 3919.3305 20573.0023 14519.5490 247.4065 -203096.2547 2287.1752 0.0000 0.0000 52224.9772 -109324.8140 300.1377 -161549.7912 -108959.7147 299.4319 111.0235 136.7212 762352.1034 -4.7103 -4.6758 PRESSURE: 2058600 -17.7652 99.4954 -120.067 99.4948 44.7046 79.6991 -120.067 79.6984 157.432 GPRESSURE: 2058600 135.98 48.0336 -153.8 17.92 -4.17068 71.0001 -70.4728 72.6017 144.165 PRESSAVG: 2058600 24.3233 -0.173355 11.3824 -0.17339 -56.1347 -14.5893 11.3824 -14.5893 -2.13466 GPRESSAVG: 2058600 24.4384 0.539315 10.1439 -2.72593 -56.1597 -15.1029 12.2257 -12.483 -1.42436 TIMING: 2058600 CPU: 6571.15, 0.00316496/step Wall: 6571.15, 0.00316496/step, 2.58595 hours remaining, 241.625000 MB of memory in use. ENERGY: 2058600 3918.2700 20358.1077 14471.0568 253.4197 -203005.7033 2550.3094 0.0000 0.0000 52162.7945 -109291.7451 299.7803 -161454.5396 -108926.2142 299.6537 61.4570 91.9916 762122.5471 -11.3154 -11.0486 PRESSURE: 2058800 79.5608 197.819 13.0974 197.819 -62.9309 -56.1058 13.0983 -56.1048 341.135 GPRESSURE: 2058800 197.922 222.023 14.7222 34.6787 -100.184 -28.0623 0.707827 -69.9011 329.254 PRESSAVG: 2058800 9.54812 3.78431 -8.68902 3.78434 -22.9231 4.31281 -8.68901 4.31281 -3.43318 GPRESSAVG: 2058800 10.1221 3.00473 -9.02075 6.85779 -23.7332 3.7359 -8.66091 1.26111 -2.79012 TIMING: 2058800 CPU: 6571.78, 0.00317529/step Wall: 6571.78, 0.00317529/step, 2.59421 hours remaining, 241.625000 MB of memory in use. ENERGY: 2058800 4048.0591 20284.9898 14501.4888 242.7506 -203252.7704 2755.3717 0.0000 0.0000 52389.6947 -109030.4156 301.0843 -161420.1103 -108658.2569 300.3810 119.2550 142.3308 764464.1228 -5.6027 -5.4671 PRESSURE: 2059000 18.491 0.063176 -342.239 0.063652 209.493 -85.191 -342.238 -85.1906 10.3801 GPRESSURE: 2059000 95.8851 76.9442 -365.649 62.2039 239.71 -36.5271 -312.527 -89.1965 -16.2107 PRESSAVG: 2059000 -23.7967 -9.01374 -15.5355 -9.01373 -2.95328 -25.5573 -15.5355 -25.5573 8.43067 GPRESSAVG: 2059000 -24.398 -9.34517 -15.6216 -9.59192 -0.887353 -24.0366 -15.5957 -22.3298 7.92691 TIMING: 2059000 CPU: 6572.42, 0.00316878/step Wall: 6572.42, 0.00316878/step, 2.58872 hours remaining, 241.625000 MB of memory in use. ENERGY: 2059000 4015.0749 20416.6323 14477.2954 235.2537 -202915.5839 2677.7365 0.0000 0.0000 52108.0327 -108985.5585 299.4656 -161093.5912 -108631.7951 300.0809 79.4548 106.4615 763732.9293 -6.1064 -5.7861 PRESSURE: 2059200 292.408 -140.155 147.468 -140.156 184.265 -44.4832 147.468 -44.4832 -178.373 GPRESSURE: 2059200 333.17 -181.551 211.739 -224.39 303.942 -173.524 163.256 -99.9187 -245.896 PRESSAVG: 2059200 3.19758 -18.0447 -40.8652 -18.0448 37.3062 19.7661 -40.8653 19.7661 0.278519 GPRESSAVG: 2059200 3.11652 -17.0784 -40.5323 -20.5091 37.6539 18.5422 -41.8535 17.7531 0.491925 TIMING: 2059200 CPU: 6573.05, 0.00317201/step Wall: 6573.05, 0.00317201/step, 2.59118 hours remaining, 241.625000 MB of memory in use. ENERGY: 2059200 3945.9867 20432.9725 14430.0970 253.0840 -203133.7145 2813.7913 0.0000 0.0000 52112.5362 -109145.2468 299.4915 -161257.7830 -108786.0091 299.2667 99.4335 130.4053 763120.4934 13.5941 13.7541 PRESSURE: 2059400 177.254 -249.143 -87.9848 -249.142 -180.505 -88.2872 -87.9845 -88.2859 -4.24767 GPRESSURE: 2059400 211.95 -135.459 15.2244 -217.681 -109.133 -15.3411 -135.901 -86.4744 -37.6933 PRESSAVG: 2059400 -14.3242 -39.4928 19.2747 -39.4928 -0.135933 16.4013 19.2747 16.4013 18.2346 GPRESSAVG: 2059400 -13.7341 -37.3439 20.4286 -38.729 -0.315509 16.876 20.1674 16.6101 17.6945 TIMING: 2059400 CPU: 6573.68, 0.00316954/step Wall: 6573.68, 0.00316954/step, 2.58898 hours remaining, 241.625000 MB of memory in use. ENERGY: 2059400 3959.6176 20637.6401 14443.4122 234.0359 -202980.9025 2632.4825 0.0000 0.0000 51986.7317 -109086.9825 298.7685 -161073.7142 -108728.1517 299.0841 -2.4995 21.7079 763104.0524 1.2581 1.2150 PRESSURE: 2059600 219.833 16.6397 -44.0408 16.6399 -246.205 80.9247 -44.0401 80.9257 6.75738 GPRESSURE: 2059600 253.398 8.60463 -42.3206 -35.773 -236.551 118.502 21.8008 -11.8998 40.1079 PRESSAVG: 2059600 39.1965 6.92307 39.7308 6.92305 -20.4706 62.2887 39.7308 62.2887 14.1065 GPRESSAVG: 2059600 40.038 4.36141 39.7067 7.44311 -22.3264 62.5059 40.0628 62.9315 15.1701 TIMING: 2059600 CPU: 6574.32, 0.00317498/step Wall: 6574.32, 0.00317498/step, 2.59325 hours remaining, 241.625000 MB of memory in use. ENERGY: 2059600 4040.8929 20445.9343 14437.5138 225.8683 -203302.7177 2691.3956 0.0000 0.0000 52055.1980 -109405.9149 299.1619 -161461.1129 -109035.6248 299.0908 -6.5380 18.9851 761499.3913 10.9441 10.9606 PRESSURE: 2059800 -484.539 163.214 47.0577 163.215 -152.17 -123.851 47.0574 -123.851 21.9934 GPRESSURE: 2059800 -445.313 21.4808 63.1823 139.315 -81.4435 -28.2578 68.4161 -83.6093 -7.45643 PRESSAVG: 2059800 26.0798 -21.7465 18.7731 -21.7466 -0.76161 33.624 18.773 33.6239 12.5563 GPRESSAVG: 2059800 25.5302 -21.9776 20.7138 -20.7237 0.517332 35.6218 18.2468 34.2652 11.8299 TIMING: 2059800 CPU: 6574.95, 0.00316328/step Wall: 6574.95, 0.00316328/step, 2.58352 hours remaining, 241.625000 MB of memory in use. ENERGY: 2059800 3962.2012 20552.2630 14449.3515 252.1203 -202784.7305 2360.2794 0.0000 0.0000 51838.9897 -109369.5253 297.9194 -161208.5151 -109026.1923 298.7694 -204.9050 -178.0708 763660.1366 12.6248 12.6258 PRESSURE: 2060000 209.727 130.149 0.891076 130.149 386.754 -107.429 0.891395 -107.428 166.566 GPRESSURE: 2060000 216.878 24.418 -93.76 69.7279 502.798 -37.4198 120.008 -192.896 142.824 PRESSAVG: 2060000 36.0401 3.37208 34.398 3.37203 -36.8632 -40.2803 34.3981 -40.2804 3.30767 GPRESSAVG: 2060000 34.6844 3.2403 31.2734 1.7019 -35.8216 -42.3108 35.8968 -40.2924 3.71525 TIMING: 2060000 CPU: 6575.59, 0.00316452/step Wall: 6575.59, 0.00316452/step, 2.58435 hours remaining, 241.625000 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: 2060000 3975.1281 20435.5303 14476.2036 258.0622 -203842.7647 3135.7615 0.0000 0.0000 52276.7141 -109285.3650 300.4350 -161562.0791 -108907.4380 299.2176 254.3491 287.4998 761190.4264 0.8282 0.8593 PRESSURE: 2060200 -310.926 -158.214 -66.205 -158.214 16.7584 -121.7 -66.2056 -121.7 -150.048 GPRESSURE: 2060200 -306.295 7.96574 -103.903 -59.1303 -66.0372 -84.4662 -50.5265 -104.189 8.5934 PRESSAVG: 2060200 37.3782 8.38311 31.091 8.38311 -10.9828 -44.6405 31.0909 -44.6404 10.3318 GPRESSAVG: 2060200 37.8545 11.0594 32.1152 8.52161 -11.8621 -43.2444 31.1061 -45.9963 11.1378 TIMING: 2060200 CPU: 6576.22, 0.00316736/step Wall: 6576.22, 0.00316736/step, 2.5865 hours remaining, 241.625000 MB of memory in use. ENERGY: 2060200 4014.5146 20625.5719 14490.0571 248.4946 -203478.0507 2770.0344 0.0000 0.0000 52131.7501 -109197.6282 299.6019 -161329.3783 -108842.7533 300.1057 -148.0718 -121.2463 762253.7910 12.2424 12.3767 LDB: ============= START OF LOAD BALANCING ============== 6588.67 LDB: ============== END OF LOAD BALANCING =============== 6588.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.68 LDB: ============= START OF LOAD BALANCING ============== 6588.99 LDB: Largest compute 7071 load 0.037810 is 19.4% of average load 0.195246 LDB: Average compute 0.004406 is 2.3% of average load 0.195246 LDB: TIME 6589 LOAD: AVG 0.195246 MAX 0.212948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.715 MB LDB: TIME 6589 LOAD: AVG 0.195246 MAX 0.212948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.719 MB LDB: TIME 6589 LOAD: AVG 0.195246 MAX 0.212948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.719 MB LDB: ============== END OF LOAD BALANCING =============== 6589 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6589 PRESSURE: 2060400 434.098 161.65 -143.374 161.65 -0.96392 -53.7492 -143.373 -53.7502 -148.915 GPRESSURE: 2060400 417.108 23.1864 -125.473 175.604 -4.34374 -6.97819 -116.502 -155.326 -30.6735 PRESSAVG: 2060400 55.644 0.438811 -46.5613 0.438792 11.5879 17.1289 -46.5613 17.1288 -5.88026 GPRESSAVG: 2060400 56.5549 -1.59549 -46.7069 2.17615 11.8259 17.4242 -47.2386 16.5646 -7.06766 TIMING: 2060400 CPU: 6576.87, 0.00325027/step Wall: 6576.87, 0.00325027/step, 2.65402 hours remaining, 241.578125 MB of memory in use. ENERGY: 2060400 3956.4212 20535.5445 14570.8201 263.6481 -203409.2354 2791.0281 0.0000 0.0000 52244.2594 -109047.5140 300.2485 -161291.7735 -108685.6458 300.1424 94.7394 127.3637 761590.0474 20.4506 20.4377 PRESSURE: 2060600 -49.286 66.511 126.768 66.5108 -240.842 43.4976 126.768 43.4977 -358.484 GPRESSURE: 2060600 -26.0664 65.7037 157.561 35.7413 -209.789 192.642 149.971 131.385 -330.605 PRESSAVG: 2060600 -9.88763 -39.9713 -3.35405 -39.9713 -0.59437 42.4331 -3.35404 42.4331 -26.1204 GPRESSAVG: 2060600 -9.83651 -38.4827 -3.19757 -41.4129 -0.650539 41.6494 -4.05473 41.1734 -26.0844 TIMING: 2060600 CPU: 6577.51, 0.00318338/step Wall: 6577.51, 0.00318338/step, 2.59923 hours remaining, 241.648438 MB of memory in use. ENERGY: 2060600 4023.2871 20668.9851 14480.5963 245.4028 -203197.6116 2758.8352 0.0000 0.0000 51707.3995 -109313.1058 297.1631 -161020.5052 -108969.7989 299.3741 -216.2039 -188.8200 762586.2809 -12.2008 -12.1905 PRESSURE: 2060800 -128.087 -50.1794 22.5934 -50.1794 -128.519 50.3815 22.593 50.3804 -377.555 GPRESSURE: 2060800 -149.169 -120.014 35.3746 65.6767 -89.4167 111.152 199.68 70.8438 -310.791 PRESSAVG: 2060800 -14.5357 20.4257 -37.9466 20.4256 -32.7646 43.1433 -37.9467 43.1434 -25.1655 GPRESSAVG: 2060800 -15.2078 19.3882 -36.578 21.1881 -33.9541 42.9392 -38.2383 45.3384 -23.8966 TIMING: 2060800 CPU: 6578.14, 0.00317141/step Wall: 6578.14, 0.00317141/step, 2.58928 hours remaining, 241.648438 MB of memory in use. ENERGY: 2060800 3997.5847 20798.1759 14466.5326 248.0832 -203269.2784 2494.4856 0.0000 0.0000 51796.3884 -109468.0281 297.6746 -161264.4165 -109116.7493 299.2806 -211.3870 -183.1257 760842.1754 -24.1553 -24.3528 PRESSURE: 2061000 53.8994 73.0505 1.40403 73.0509 188.196 -10.9665 1.40495 -10.9672 -28.713 GPRESSURE: 2061000 135.148 -95.955 -64.0955 166.877 151.743 -69.4702 -91.541 -60.8213 3.91103 PRESSAVG: 2061000 -30.7844 26.5732 -0.922825 26.5731 -43.2975 57.801 -0.92284 57.8009 24.0788 GPRESSAVG: 2061000 -29.5566 27.7402 -2.74687 27.5021 -43.9141 59.4482 -1.66523 55.1585 23.0173 TIMING: 2061000 CPU: 6578.78, 0.00317893/step Wall: 6578.78, 0.00317893/step, 2.59524 hours remaining, 241.648438 MB of memory in use. ENERGY: 2061000 3952.8549 20465.3574 14457.2490 236.5674 -203555.6653 2921.2973 0.0000 0.0000 52020.7304 -109501.6088 298.9639 -161522.3393 -109135.3763 299.0516 71.1275 96.9340 760179.6189 -16.6677 -16.8178 PRESSURE: 2061200 -93.6505 -57.7587 120.801 -57.7591 -144.18 84.7953 120.801 84.7962 78.2751 GPRESSURE: 2061200 -120.164 -45.3581 111.364 -85.905 2.93737 99.3107 2.86638 73.775 40.3683 PRESSAVG: 2061200 0.202101 18.6934 -19.55 18.6933 9.50973 -15.0531 -19.55 -15.0531 16.2961 GPRESSAVG: 2061200 -1.54034 17.1116 -19.2198 18.5847 11.8342 -17.15 -19.7632 -12.8234 15.8287 TIMING: 2061200 CPU: 6579.42, 0.00319876/step Wall: 6579.42, 0.00319876/step, 2.61126 hours remaining, 241.648438 MB of memory in use. ENERGY: 2061200 3968.2727 20546.3170 14497.5625 251.0003 -203417.4002 2474.8900 0.0000 0.0000 52059.0150 -109620.3427 299.1839 -161679.3578 -109257.3291 298.9587 -53.1852 -25.6195 759992.9480 8.6693 8.7075 PRESSURE: 2061400 109.203 105.886 -179.03 105.886 -431.105 -66.3206 -179.03 -66.3208 -281.175 GPRESSURE: 2061400 88.5813 117.091 -145.685 -15.1506 -350.131 -89.2453 -34.8719 -62.89 -254.896 PRESSAVG: 2061400 38.6085 -30.0527 17.4165 -30.0527 -8.2155 -39.9896 17.4164 -39.9895 2.97802 GPRESSAVG: 2061400 39.3936 -31.3054 17.0735 -29.2738 -8.57976 -39.448 17.3991 -41.3193 2.30828 TIMING: 2061400 CPU: 6580.05, 0.00317941/step Wall: 6580.05, 0.00317941/step, 2.59528 hours remaining, 241.648438 MB of memory in use. ENERGY: 2061400 3976.3782 20537.5063 14542.4034 228.3499 -202797.1805 2174.9699 0.0000 0.0000 51911.6946 -109425.8782 298.3372 -161337.5728 -109075.4869 299.1281 -201.0260 -172.1483 762227.5305 11.1237 11.0407 PRESSURE: 2061600 65.2971 161.459 157.984 161.459 -13.1249 216.739 157.984 216.74 33.84 GPRESSURE: 2061600 134.471 165.124 142.266 145.933 23.3 231.085 130.467 361.879 -4.98633 PRESSAVG: 2061600 9.39693 -3.92482 -5.97103 -3.92488 -55.4095 -30.9322 -5.971 -30.9322 -13.2337 GPRESSAVG: 2061600 9.30766 -1.70838 -6.29018 -6.87105 -56.3336 -30.9237 -3.90972 -29.0385 -12.1364 TIMING: 2061600 CPU: 6580.68, 0.00316621/step Wall: 6580.68, 0.00316621/step, 2.58433 hours remaining, 241.648438 MB of memory in use. ENERGY: 2061600 4004.9919 20401.9362 14478.0114 236.1446 -203650.3318 2738.0242 0.0000 0.0000 52310.9514 -109480.2720 300.6318 -161791.2235 -109112.0325 299.2586 28.6707 50.9282 760455.6238 -19.7488 -19.7208 PRESSURE: 2061800 -149.281 -81.7813 173.102 -81.7808 264.289 17.4899 173.103 17.4903 -18.9327 GPRESSURE: 2061800 -96.6536 34.0434 106.709 -102.711 354.535 13.9848 105.067 -46.4453 -74.702 PRESSAVG: 2061800 -61.8892 -47.2476 -27.1068 -47.2476 31.7744 21.7495 -27.1067 21.7494 3.13081 GPRESSAVG: 2061800 -62.0049 -47.7276 -26.207 -46.3485 32.4095 22.9507 -27.138 21.1248 2.49244 TIMING: 2061800 CPU: 6581.32, 0.0031555/step Wall: 6581.32, 0.0031555/step, 2.57542 hours remaining, 241.648438 MB of memory in use. ENERGY: 2061800 3978.0317 20517.6394 14318.4092 252.1959 -203353.8688 2708.2554 0.0000 0.0000 52109.3912 -109469.9460 299.4734 -161579.3372 -109120.4150 298.9607 32.0248 61.0597 762405.7014 -8.9947 -9.0343 PRESSURE: 2062000 -142.476 -288.849 217.04 -288.849 -190.024 369.699 217.039 369.699 -364.232 GPRESSURE: 2062000 -153.318 -204.849 268.855 -284.918 -5.88581 427.26 149.098 324.425 -438.999 PRESSAVG: 2062000 -61.5625 -8.38756 13.0048 -8.38759 39.9311 -5.60382 13.0048 -5.60392 -17.6221 GPRESSAVG: 2062000 -62.0422 -10.0969 12.7969 -6.32835 39.8291 -8.01197 10.8112 -4.87782 -17.2453 TIMING: 2062000 CPU: 6581.95, 0.00315898/step Wall: 6581.95, 0.00315898/step, 2.57808 hours remaining, 241.648438 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: 2062000 4027.2522 20563.0779 14431.4420 232.2177 -202708.0299 2190.9870 0.0000 0.0000 52098.5136 -109164.5394 299.4109 -161263.0530 -108808.6022 299.5082 -232.2439 -199.4010 762028.1340 -13.0845 -13.1528 PRESSURE: 2062200 393.949 -285.108 116.24 -285.108 313.754 -89.0418 116.239 -89.0422 298.321 GPRESSURE: 2062200 410.293 -208.526 145.427 -252.073 357.443 -110.974 171.49 -140.655 313.114 PRESSAVG: 2062200 43.6179 -2.31036 -0.313353 -2.31035 -13.8579 -21.9518 -0.313415 -21.9519 -3.99353 GPRESSAVG: 2062200 44.0183 -0.26574 -0.714496 -2.9895 -14.4706 -20.7135 1.10218 -23.561 -3.76262 TIMING: 2062200 CPU: 6582.58, 0.00315978/step Wall: 6582.58, 0.00315978/step, 2.57855 hours remaining, 241.648438 MB of memory in use. ENERGY: 2062200 3899.3340 20572.8831 14430.2671 251.3615 -203383.7645 2891.8031 0.0000 0.0000 52403.0120 -108935.1037 301.1608 -161338.1157 -108568.6092 299.8719 335.3417 360.2834 759999.2900 8.5888 8.5950 PRESSURE: 2062400 -448.023 39.8529 131.279 39.8529 -244.627 -68.8147 131.279 -68.8156 59.3082 GPRESSURE: 2062400 -373.77 70.0365 123.263 62.9619 -209.02 -23.217 162.062 -63.8854 27.9356 PRESSAVG: 2062400 28.867 -7.6289 3.22176 -7.62885 -4.26137 -8.83272 3.22169 -8.83268 6.5848 GPRESSAVG: 2062400 28.7485 -6.98875 2.00709 -8.92321 -4.04445 -8.66409 4.16421 -8.57375 6.59633 TIMING: 2062400 CPU: 6583.21, 0.00316876/step Wall: 6583.21, 0.00316876/step, 2.58571 hours remaining, 241.648438 MB of memory in use. ENERGY: 2062400 4050.6322 20575.2530 14482.3275 228.3948 -203131.4613 2610.7338 0.0000 0.0000 52401.7142 -108782.4058 301.1534 -161184.1201 -108422.1695 300.4624 -211.1139 -184.9514 763208.5461 10.3968 10.4335 PRESSURE: 2062600 -342.441 99.3476 58.4 99.3488 -53.7771 111.743 58.4005 111.742 -277.964 GPRESSURE: 2062600 -243.487 98.4269 18.8054 225.234 -103.195 109.315 9.13545 -1.64107 -242.344 PRESSAVG: 2062600 -14.026 2.42683 73.8691 2.42677 -18.5799 2.03087 73.869 2.03086 0.623276 GPRESSAVG: 2062600 -14.0178 2.6195 74.2736 2.05631 -18.8414 2.14012 72.6956 2.18125 0.252259 TIMING: 2062600 CPU: 6583.85, 0.00315935/step Wall: 6583.85, 0.00315935/step, 2.57786 hours remaining, 241.648438 MB of memory in use. ENERGY: 2062600 4122.1529 20568.5428 14451.5627 247.1595 -202881.2640 2465.2324 0.0000 0.0000 52273.0511 -108753.5627 300.4139 -161026.6138 -108387.4128 299.9563 -224.7274 -196.3422 763622.2757 -10.6609 -10.8690 PRESSURE: 2062800 74.7664 25.164 -120.762 25.1645 -65.4161 -21.9278 -120.762 -21.928 -534.988 GPRESSURE: 2062800 87.9122 25.6641 -62.6688 -77.4411 34.6246 -50.0523 1.93661 23.0655 -542.003 PRESSAVG: 2062800 -38.5546 17.5775 13.7804 17.5774 36.8917 1.33146 13.7804 1.33148 18.1205 GPRESSAVG: 2062800 -37.7597 15.1515 13.9829 19.3054 35.3355 0.398195 15.679 1.66107 18.7816 TIMING: 2062800 CPU: 6584.48, 0.0031533/step Wall: 6584.48, 0.0031533/step, 2.57275 hours remaining, 241.648438 MB of memory in use. ENERGY: 2062800 4055.5870 20727.4416 14474.8744 257.8893 -203007.1697 2308.3836 0.0000 0.0000 52319.5669 -108863.4269 300.6813 -161182.9937 -108493.3940 300.4885 -175.2126 -139.8220 763806.4346 5.4859 5.4525 PRESSURE: 2063000 -59.4785 25.8525 121.723 25.8522 -206.98 -2.08187 121.723 -2.08161 135.645 GPRESSURE: 2063000 -35.5305 88.6369 140.871 -2.47752 -202.931 -67.6658 234.844 -64.5334 180.358 PRESSAVG: 2063000 -50.7044 -29.5902 -8.55288 -29.5901 31.5411 -20.026 -8.55294 -20.0259 -1.52131 GPRESSAVG: 2063000 -51.163 -29.1978 -9.94122 -30.7609 33.1899 -17.7935 -10.006 -18.8261 -2.53643 TIMING: 2063000 CPU: 6585.11, 0.0031599/step Wall: 6585.11, 0.0031599/step, 2.57795 hours remaining, 241.648438 MB of memory in use. ENERGY: 2063000 3999.3825 20590.9120 14532.2750 247.3309 -203109.9493 2692.2821 0.0000 0.0000 52146.1521 -108901.6147 299.6847 -161047.7668 -108545.4235 300.5436 -43.6046 -19.3677 762615.7325 -6.8949 -6.8365 PRESSURE: 2063200 76.006 -64.1154 62.6691 -64.1147 264.501 143.586 62.669 143.586 372.456 GPRESSURE: 2063200 131.701 -60.0615 2.46415 5.36476 240.102 156.761 -18.8263 33.134 411.283 PRESSAVG: 2063200 -26.9744 -28.9653 32.7408 -28.9653 20.4542 -26.0823 32.7408 -26.0823 7.4832 GPRESSAVG: 2063200 -27.7079 -28.2249 33.8881 -30.2711 20.6779 -26.1596 34.8096 -27.5711 7.88695 TIMING: 2063200 CPU: 6585.74, 0.00317452/step Wall: 6585.74, 0.00317452/step, 2.5897 hours remaining, 241.648438 MB of memory in use. ENERGY: 2063200 3956.3432 20606.4790 14463.8385 236.1444 -203523.8726 2999.0005 0.0000 0.0000 52410.2285 -108851.8385 301.2023 -161262.0670 -108487.1338 300.4773 237.6545 261.0286 760437.6363 0.3210 0.2857 PRESSURE: 2063400 -77.275 -49.536 -73.4943 -49.5355 -85.0222 142.086 -73.4945 142.086 218.374 GPRESSURE: 2063400 -81.8228 -33.6924 -39.1934 -6.23344 12.6916 13.6319 -11.1383 192.055 181.82 PRESSAVG: 2063400 16.3875 -37.8582 19.426 -37.8581 -16.6924 -42.1231 19.4259 -42.1231 5.65604 GPRESSAVG: 2063400 17.1799 -38.808 20.2446 -35.6283 -16.1206 -41.28 18.6546 -44.8286 4.82035 TIMING: 2063400 CPU: 6586.37, 0.00314014/step Wall: 6586.37, 0.00314014/step, 2.56148 hours remaining, 241.648438 MB of memory in use. ENERGY: 2063400 4008.4183 20585.8343 14438.4872 221.0411 -203002.2473 2531.9504 0.0000 0.0000 52164.7108 -109051.8052 299.7913 -161216.5160 -108702.4905 300.6499 18.6924 37.5628 762586.2673 1.7837 1.9599 PRESSURE: 2063600 -346.801 -34.1891 244.606 -34.1902 -244.126 -45.6811 244.607 -45.6815 -516.547 GPRESSURE: 2063600 -301.843 -104.013 342.718 27.5779 -229.773 25.0648 134.813 -40.825 -471.55 PRESSAVG: 2063600 38.6043 -25.0204 -17.6463 -25.0204 -57.6864 -72.5848 -17.6464 -72.5849 36.8746 GPRESSAVG: 2063600 40.3687 -26.8832 -18.4596 -25.2005 -59.7159 -72.9144 -19.3713 -69.5816 36.9667 TIMING: 2063600 CPU: 6587, 0.00314958/step Wall: 6587, 0.00314958/step, 2.56901 hours remaining, 241.648438 MB of memory in use. ENERGY: 2063600 4047.2635 20742.2150 14415.6069 243.1694 -202914.0189 2285.4060 0.0000 0.0000 52109.8078 -109070.5504 299.4758 -161180.3582 -108709.1830 300.5388 -369.1581 -334.3887 762146.3480 5.9308 5.8732 PRESSURE: 2063800 111.019 -150.349 -257.465 -150.349 -189.895 -11.9526 -257.466 -11.9514 315.646 GPRESSURE: 2063800 142.148 -165.122 -226.527 -170.957 -113.656 -21.7987 -225.765 -32.5166 294.979 PRESSAVG: 2063800 14.648 -6.6821 -4.25981 -6.68207 -17.9464 -32.0086 -4.25983 -32.0087 -6.04359 GPRESSAVG: 2063800 12.9616 -6.44137 -2.89145 -5.3906 -16.1201 -32.0751 -4.85499 -33.9341 -6.40933 TIMING: 2063800 CPU: 6587.63, 0.00315195/step Wall: 6587.63, 0.00315195/step, 2.57077 hours remaining, 241.648438 MB of memory in use. ENERGY: 2063800 3903.8756 20595.3473 14514.6012 245.7890 -203043.6213 2364.2649 0.0000 0.0000 52289.2257 -109130.5177 300.5069 -161419.7433 -108765.0678 300.2611 78.9234 107.8239 761427.7808 -3.1140 -3.1893 PRESSURE: 2064000 315.909 81.5984 163.986 81.5983 -57.3097 -8.7081 163.986 -8.70753 -34.1799 GPRESSURE: 2064000 312.28 16.7462 54.2368 59.0948 -70.7196 33.2706 153.925 51.8292 71.9265 PRESSAVG: 2064000 -2.1791 41.627 -12.1671 41.627 -32.3897 -34.3458 -12.1671 -34.3458 -6.05841 GPRESSAVG: 2064000 -0.686874 42.5424 -13.5985 40.1427 -34.2974 -33.4144 -13.0739 -31.3513 -5.88012 TIMING: 2064000 CPU: 6588.27, 0.0031796/step Wall: 6588.27, 0.0031796/step, 2.59314 hours remaining, 241.648438 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: 2064000 3894.4443 20629.6662 14484.5574 231.9998 -203243.8340 2545.5934 0.0000 0.0000 52327.4096 -109130.1633 300.7263 -161457.5729 -108763.1869 300.3201 74.8066 104.4956 761480.3634 -13.5424 -13.6215 PRESSURE: 2064200 89.7749 119.789 116.59 119.79 -9.54559 21.878 116.589 21.8783 81.6201 GPRESSURE: 2064200 167.385 113.316 207.838 78.1846 -36.5977 75.833 85.3812 -71.7972 117.806 PRESSAVG: 2064200 18.9216 -14.8828 -46.9611 -14.8828 -12.2566 -44.7049 -46.9611 -44.7049 7.69359 GPRESSAVG: 2064200 16.9727 -14.3011 -46.5396 -14.4856 -11.4193 -46.7565 -46.1139 -46.2371 8.42957 TIMING: 2064200 CPU: 6588.9, 0.00317458/step Wall: 6588.9, 0.00317458/step, 2.58887 hours remaining, 241.648438 MB of memory in use. ENERGY: 2064200 3998.4404 20525.6672 14461.1403 224.9785 -203482.2921 2650.7410 0.0000 0.0000 52312.2203 -109309.1043 300.6390 -161621.3246 -108947.6014 300.1500 53.9498 82.8645 760983.3116 4.7862 4.6610 LDB: ============= START OF LOAD BALANCING ============== 6601.36 LDB: ============== END OF LOAD BALANCING =============== 6601.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6601.36 LDB: ============= START OF LOAD BALANCING ============== 6601.68 LDB: Largest compute 7070 load 0.038384 is 19.7% of average load 0.195104 LDB: Average compute 0.004414 is 2.3% of average load 0.195104 LDB: TIME 6601.68 LOAD: AVG 0.195104 MAX 0.215651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 6601.68 LOAD: AVG 0.195104 MAX 0.215651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: TIME 6601.68 LOAD: AVG 0.195104 MAX 0.215651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.898 MB LDB: ============== END OF LOAD BALANCING =============== 6601.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6601.69 PRESSURE: 2064400 127.946 -13.493 -303.366 -13.4926 -27.1072 -114.146 -303.366 -114.147 -58.3751 GPRESSURE: 2064400 137.955 -83.6773 -343.991 -40.1943 5.20319 -213.641 -306.299 -106.607 -20.4258 PRESSAVG: 2064400 14.4425 16.5894 -23.5855 16.5894 -27.186 -44.4259 -23.5855 -44.4259 0.0899493 GPRESSAVG: 2064400 16.2254 12.2563 -22.761 17.8977 -27.7611 -44.0252 -22.0239 -44.4991 -1.01265 TIMING: 2064400 CPU: 6589.55, 0.00324645/step Wall: 6589.55, 0.00324645/step, 2.6473 hours remaining, 239.835938 MB of memory in use. ENERGY: 2064400 4075.1477 20570.4206 14464.3094 259.8064 -202697.3009 2213.5760 0.0000 0.0000 51827.3285 -109286.7123 297.8524 -161114.0408 -108923.6066 299.7720 14.1545 40.9106 760921.1351 -4.2179 -4.1828 PRESSURE: 2064600 -210.095 7.01867 380.935 7.01937 -295.618 84.0983 380.934 84.0987 -184.48 GPRESSURE: 2064600 -159.326 -13.8178 411.87 -72.1095 -252.333 128.555 312.094 -20.084 -160.378 PRESSAVG: 2064600 62.3894 19.3726 -5.51248 19.3727 -35.8009 -29.9179 -5.51246 -29.9179 21.9953 GPRESSAVG: 2064600 61.7698 23.3289 -5.5676 15.5072 -35.3303 -29.615 -7.11564 -30.7645 22.6139 TIMING: 2064600 CPU: 6590.18, 0.00316357/step Wall: 6590.18, 0.00316357/step, 2.57954 hours remaining, 239.835938 MB of memory in use. ENERGY: 2064600 4002.6505 20555.5102 14500.8345 232.1198 -203206.9418 2249.5120 0.0000 0.0000 52459.3867 -109206.9283 301.4848 -161666.3149 -108842.2440 299.1443 -230.0644 -190.6793 761458.4873 16.1946 16.3511 PRESSURE: 2064800 -91.0014 215.798 -53.9706 215.797 284.863 54.9476 -53.9697 54.9474 38.4231 GPRESSURE: 2064800 -128.403 187.164 6.55154 194.407 394.066 52.7914 -84.4927 25.6391 27.1139 PRESSAVG: 2064800 3.41309 -17.7402 -9.72412 -17.7402 -17.7224 -26.2803 -9.72408 -26.2802 12.2674 GPRESSAVG: 2064800 2.38676 -16.9209 -8.77065 -15.3583 -17.082 -25.8876 -8.82142 -25.7767 12.6796 TIMING: 2064800 CPU: 6590.82, 0.00316831/step Wall: 6590.82, 0.00316831/step, 2.58323 hours remaining, 239.835938 MB of memory in use. ENERGY: 2064800 4034.5231 20741.5191 14468.1092 253.6673 -203313.6028 2574.7891 0.0000 0.0000 52095.2584 -109145.7365 299.3922 -161240.9949 -108784.3126 300.2124 77.4281 97.5923 762161.3280 -0.6806 -0.6719 PRESSURE: 2065000 -95.5955 -87.012 -73.0592 -87.0116 -310.37 -235.839 -73.0596 -235.839 22.1106 GPRESSURE: 2065000 -36.7887 -159.588 -53.4849 4.03461 -279.949 -181.111 -59.7122 -206.445 -1.67378 PRESSAVG: 2065000 -34.5861 4.4568 -22.5581 4.45679 12.128 0.497269 -22.5581 0.497319 -1.16591 GPRESSAVG: 2065000 -35.208 3.01333 -24.7846 5.10532 12.6486 -0.133365 -21.4335 2.96625 -1.47333 TIMING: 2065000 CPU: 6591.46, 0.00319549/step Wall: 6591.46, 0.00319549/step, 2.60521 hours remaining, 239.835938 MB of memory in use. ENERGY: 2065000 4032.6693 20620.4841 14486.2284 239.3795 -203415.4171 2583.8879 0.0000 0.0000 52170.8607 -109281.9072 299.8267 -161452.7679 -108921.2317 299.8327 -127.9516 -106.1372 764313.5993 -7.8747 -8.0109 PRESSURE: 2065200 41.0077 41.3301 -194.95 41.3308 31.6199 -12.0472 -194.949 -12.0482 -27.5359 GPRESSURE: 2065200 107.456 6.87987 -295.439 0.549653 41.3909 -41.9256 -119.649 -37.7362 -16.7323 PRESSAVG: 2065200 -1.18331 4.14099 17.2527 4.14102 29.093 -17.3059 17.2527 -17.3059 4.7705 GPRESSAVG: 2065200 -0.315719 2.73732 17.4611 2.04473 28.6809 -16.6892 16.4865 -19.288 4.72317 TIMING: 2065200 CPU: 6592.09, 0.00317638/step Wall: 6592.09, 0.00317638/step, 2.58945 hours remaining, 239.835938 MB of memory in use. ENERGY: 2065200 3966.7713 20589.5528 14361.2119 243.0906 -203394.5706 2760.2599 0.0000 0.0000 52115.9684 -109357.7157 299.5112 -161473.6841 -108989.5036 299.9046 15.0306 44.0380 763570.5516 10.8934 11.0294 PRESSURE: 2065400 -344.176 8.20464 163.875 8.20439 -234.806 104.399 163.876 104.399 -306.973 GPRESSURE: 2065400 -321.579 -62.6751 202.876 9.2161 -245.409 72.5505 138.627 -18.5034 -239.666 PRESSAVG: 2065400 16.623 -3.90911 1.87995 -3.90911 -13.1443 61.3991 1.8799 61.3992 -26.9191 GPRESSAVG: 2065400 17.5251 -3.9197 4.19181 -2.72261 -14.4444 61.9138 3.08624 61.2881 -26.553 TIMING: 2065400 CPU: 6592.73, 0.00317239/step Wall: 6592.73, 0.00317239/step, 2.58603 hours remaining, 239.835938 MB of memory in use. ENERGY: 2065400 4068.8587 20630.7513 14443.6537 242.5036 -203501.9480 2723.9975 0.0000 0.0000 52155.8836 -109236.2998 299.7406 -161392.1833 -108872.3133 299.7469 -295.3183 -268.8846 763313.5324 -7.8135 -7.8241 PRESSURE: 2065600 -56.2202 262.239 -81.9251 262.239 -143.615 -5.2564 -81.9247 -5.25558 -278.879 GPRESSURE: 2065600 -119.583 201.439 -18.0017 304.01 -53.1863 -48.8919 -236.392 2.26712 -217.158 PRESSAVG: 2065600 -27.8093 -50.3529 -10.8793 -50.353 55.4663 26.3605 -10.8793 26.3606 3.60132 GPRESSAVG: 2065600 -28.7352 -48.1127 -11.7461 -51.4678 56.8225 25.0382 -11.4609 25.7209 3.43319 TIMING: 2065600 CPU: 6593.36, 0.0031822/step Wall: 6593.36, 0.0031822/step, 2.59385 hours remaining, 239.835938 MB of memory in use. ENERGY: 2065600 4001.1747 20580.2051 14445.1628 233.9676 -203184.4945 2643.2196 0.0000 0.0000 51789.9972 -109490.7674 297.6378 -161280.7647 -109123.6581 299.9230 -159.5716 -129.9759 762153.1287 10.4194 10.5068 PRESSURE: 2065800 289.374 -40.9605 197.118 -40.9606 300.637 -125.163 197.119 -125.162 -325.79 GPRESSURE: 2065800 332.393 63.6716 210.901 -22.6029 332.789 -128.003 96.5413 -126.059 -314.999 PRESSAVG: 2065800 45.4831 -43.2728 2.67082 -43.2729 -6.10224 -44.1881 2.67082 -44.1881 -9.42127 GPRESSAVG: 2065800 45.3438 -44.6763 1.67806 -42.7086 -5.44125 -43.1643 3.00737 -43.2586 -9.80628 TIMING: 2065800 CPU: 6594, 0.00319015/step Wall: 6594, 0.00319015/step, 2.60015 hours remaining, 239.835938 MB of memory in use. ENERGY: 2065800 3980.2876 20563.5061 14462.3351 232.1966 -203368.1050 2722.7663 0.0000 0.0000 51971.2947 -109435.7185 298.6797 -161407.0131 -109070.7032 299.0285 88.0734 116.7277 761549.7795 9.9865 10.0321 PRESSURE: 2066000 -477.697 -64.743 4.21781 -64.7433 130.122 74.9769 4.21806 74.9756 -332.138 GPRESSURE: 2066000 -389.673 -96.1016 -12.7307 -161.124 94.4388 98.5674 76.7944 84.5061 -289.669 PRESSAVG: 2066000 4.20074 -43.3673 -7.57807 -43.3674 15.4295 -23.8806 -7.57811 -23.8806 -4.83907 GPRESSAVG: 2066000 5.45862 -41.8904 -6.92036 -43.7316 14.105 -22.9931 -9.11735 -23.1855 -4.94015 TIMING: 2066000 CPU: 6594.64, 0.00317615/step Wall: 6594.64, 0.00317615/step, 2.58856 hours remaining, 239.835938 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: 2066000 4008.5921 20620.5814 14443.2707 241.2827 -203567.1750 2631.4648 0.0000 0.0000 52210.2310 -109411.7524 300.0529 -161621.9833 -109054.4632 299.8906 -226.5711 -194.9677 763066.5788 4.9304 4.8745 PRESSURE: 2066200 -237.946 -245.053 -13.3272 -245.053 -129.977 -28.0409 -13.3267 -28.0409 -208.281 GPRESSURE: 2066200 -159.755 -233.069 -133.159 -174.371 -49.4207 -42.1965 14.3908 -178.045 -287.574 PRESSAVG: 2066200 -1.89082 -53.9667 -1.1364 -53.9667 -17.0341 27.3749 -1.13641 27.3748 14.7795 GPRESSAVG: 2066200 -2.43926 -54.2863 -1.23001 -54.0855 -16.3931 25.4872 0.581171 27.2595 14.4239 TIMING: 2066200 CPU: 6595.27, 0.00319186/step Wall: 6595.27, 0.00319186/step, 2.60119 hours remaining, 239.835938 MB of memory in use. ENERGY: 2066200 4041.9458 20435.7197 14404.7712 251.6809 -203555.8748 2513.8005 0.0000 0.0000 52258.1917 -109649.7652 300.3285 -161907.9568 -109288.6216 299.4685 -192.0679 -165.5833 763495.5329 -1.3818 -1.4695 PRESSURE: 2066400 -307.272 -45.5632 71.1892 -45.5622 -338.313 -88.5695 71.1895 -88.5709 -354.926 GPRESSURE: 2066400 -251.026 -24.2418 43.0563 -102.571 -293.52 -149.578 -25.6175 -41.6142 -378.97 PRESSAVG: 2066400 -26.5922 -83.2863 -55.8875 -83.2863 -18.3504 -66.7768 -55.8875 -66.7768 11.2385 GPRESSAVG: 2066400 -26.5054 -83.8825 -57.5119 -81.7234 -18.4185 -66.9067 -56.1538 -65.2112 10.9898 TIMING: 2066400 CPU: 6595.91, 0.00318771/step Wall: 6595.91, 0.00318771/step, 2.59763 hours remaining, 239.835938 MB of memory in use. ENERGY: 2066400 4049.0765 20618.4387 14381.0784 251.4314 -203439.1039 2697.4980 0.0000 0.0000 51877.7875 -109563.7932 298.1424 -161441.5808 -109203.1992 299.1490 -333.5036 -307.8387 763827.7094 -11.2347 -11.3113 PRESSURE: 2066600 89.8953 64.062 32.0058 64.0618 -16.9585 13.1344 32.0055 13.1344 249.235 GPRESSURE: 2066600 77.5626 245.089 116.337 24.9953 66.3235 -32.1059 168.061 33.8084 269.879 PRESSAVG: 2066600 -6.95437 -20.7444 7.88867 -20.7444 -20.147 18.6135 7.88871 18.6136 -3.32527 GPRESSAVG: 2066600 -6.22902 -21.5975 8.28121 -21.3744 -21.1604 19.398 9.46538 17.3581 -2.65309 TIMING: 2066600 CPU: 6596.55, 0.00319785/step Wall: 6596.55, 0.00319785/step, 2.60571 hours remaining, 239.835938 MB of memory in use. ENERGY: 2066600 3989.7347 20624.8528 14436.6049 261.0298 -204088.7526 3149.2644 0.0000 0.0000 51953.9513 -109673.3147 298.5801 -161627.2661 -109308.3748 299.3105 107.3907 137.9217 761929.6383 -10.1422 -10.0142 PRESSURE: 2066800 -94.3838 -16.7134 50.567 -16.7139 -479.262 -355.141 50.5672 -355.141 40.3775 GPRESSURE: 2066800 -9.13835 3.57241 68.0953 -43.1047 -476.466 -440.339 -11.9513 -297.93 23.7454 PRESSAVG: 2066800 -12.9694 -38.8824 42.4219 -38.8824 -23.1506 15.5766 42.4219 15.5766 -31.9941 GPRESSAVG: 2066800 -14.6307 -37.9193 45.0563 -38.469 -22.1181 15.3983 41.3141 14.4822 -30.8764 TIMING: 2066800 CPU: 6597.19, 0.00319759/step Wall: 6597.19, 0.00319759/step, 2.60533 hours remaining, 239.835938 MB of memory in use. ENERGY: 2066800 4054.4204 20715.0309 14474.1062 260.1452 -203791.1744 2683.3455 0.0000 0.0000 51942.9307 -109661.1955 298.5167 -161604.1263 -109312.0971 298.9242 -177.7560 -153.9528 762432.1561 -22.7047 -22.5417 PRESSURE: 2067000 -161.569 20.2017 -149.476 20.2025 -155.487 103.76 -149.476 103.76 -169.113 GPRESSURE: 2067000 -69.3523 -17.995 -160.863 -69.9844 -199.798 83.9311 -264.982 78.3488 -129.992 PRESSAVG: 2067000 11.9143 -33.1821 37.3936 -33.1821 11.335 52.9078 37.3936 52.9077 -13.2566 GPRESSAVG: 2067000 12.8048 -33.3804 34.2248 -35.7715 11.102 53.9297 36.8388 51.7987 -13.4702 TIMING: 2067000 CPU: 6597.83, 0.0031904/step Wall: 6597.83, 0.0031904/step, 2.59929 hours remaining, 239.835938 MB of memory in use. ENERGY: 2067000 3982.9376 20801.5875 14459.5522 231.0019 -203455.4409 2511.0086 0.0000 0.0000 51961.0586 -109508.2944 298.6209 -161469.3530 -109149.2040 299.4996 -162.0565 -133.0474 762629.0114 3.3309 3.4789 PRESSURE: 2067200 223.645 124.607 70.7185 124.606 134.635 -11.5428 70.7183 -11.5438 232.77 GPRESSURE: 2067200 254.063 215.181 113.93 87.1316 203.299 -37.3243 41.878 78.2046 213.856 PRESSAVG: 2067200 -9.64037 -18.8937 -24.6248 -18.8937 -14.2971 20.4469 -24.6249 20.447 9.08026 GPRESSAVG: 2067200 -8.50744 -17.8327 -23.8038 -17.8439 -15.0768 19.7796 -23.9161 23.2193 8.56961 TIMING: 2067200 CPU: 6598.47, 0.00318024/step Wall: 6598.47, 0.00318024/step, 2.59084 hours remaining, 239.835938 MB of memory in use. ENERGY: 2067200 4000.8862 20640.0042 14393.2951 260.9798 -203688.4431 2728.6880 0.0000 0.0000 52166.7563 -109497.8334 299.8031 -161664.5897 -109140.3830 299.2624 197.0165 223.7395 760887.7895 -4.9524 -5.0049 PRESSURE: 2067400 45.5123 -167.276 189.427 -167.276 27.8958 230.767 189.428 230.766 -464.512 GPRESSURE: 2067400 131.626 -129.861 199.275 -99.5139 53.693 249.764 132.66 255.946 -494.668 PRESSAVG: 2067400 -4.96177 -38.33 12.7056 -38.33 4.02212 -5.11969 12.7057 -5.11979 -6.78787 GPRESSAVG: 2067400 -5.65986 -37.0624 13.4049 -36.6635 4.04048 -5.1796 11.7359 -5.14919 -6.32271 TIMING: 2067400 CPU: 6599.1, 0.00318991/step Wall: 6599.1, 0.00318991/step, 2.59853 hours remaining, 239.835938 MB of memory in use. ENERGY: 2067400 4008.5527 20429.6155 14456.8053 273.7772 -203668.2877 2795.6595 0.0000 0.0000 52030.0757 -109673.8019 299.0176 -161703.8776 -109305.9456 299.1816 -130.3680 -103.1165 761589.4807 -2.5758 -2.6474 PRESSURE: 2067600 -88.8973 -39.3179 -40.6475 -39.3187 -170.795 -5.00568 -40.6488 -5.0056 285.499 GPRESSURE: 2067600 -43.785 -75.455 37.4365 -184.637 -126.848 -60.482 -19.6109 8.16244 281.355 PRESSAVG: 2067600 35.4372 12.9661 26.3855 12.9661 -12.2677 10.2345 26.3855 10.2345 14.4528 GPRESSAVG: 2067600 35.054 11.4879 25.3792 9.58167 -12.3572 7.28519 27.6676 9.8048 14.7686 TIMING: 2067600 CPU: 6599.74, 0.00317986/step Wall: 6599.74, 0.00317985/step, 2.59017 hours remaining, 239.835938 MB of memory in use. ENERGY: 2067600 3949.8259 20451.5172 14502.3018 261.4734 -203576.6497 2606.7052 0.0000 0.0000 52093.6545 -109711.1716 299.3829 -161804.8261 -109339.4810 299.3742 8.6023 36.9073 760553.6270 12.5408 12.4884 PRESSURE: 2067800 -196.919 -39.4842 -44.104 -39.4845 -171.181 -94.8991 -44.1045 -94.8985 182.012 GPRESSURE: 2067800 -184.799 9.22497 84.5809 -30.0955 -107.112 -102.368 28.2814 -25.2465 187.81 PRESSAVG: 2067800 -31.2712 -4.45954 33.8993 -4.45959 14.9756 2.22242 33.8993 2.22244 2.75856 GPRESSAVG: 2067800 -31.7359 -3.4977 36.1972 -3.38364 14.3049 5.22432 33.5217 0.216152 3.3856 TIMING: 2067800 CPU: 6600.38, 0.00318855/step Wall: 6600.38, 0.00318855/step, 2.59707 hours remaining, 239.835938 MB of memory in use. ENERGY: 2067800 3922.4963 20434.1918 14415.8716 252.8457 -203449.1586 2467.8601 0.0000 0.0000 52100.3859 -109855.5072 299.4216 -161955.8931 -109483.2546 298.9854 -62.0293 -34.7004 762262.7027 -4.5123 -4.6818 PRESSURE: 2068000 -235.796 -97.145 -140.546 -97.1444 -4.68376 -0.287803 -140.546 -0.287097 -313.159 GPRESSURE: 2068000 -161.492 -190.473 -166.03 -177.029 -27.1868 -68.5688 -181.299 45.9815 -285.085 PRESSAVG: 2068000 23.8195 -72.8331 -2.83261 -72.8331 -34.8654 33.0857 -2.83261 33.0857 8.33081 GPRESSAVG: 2068000 25.0256 -73.6017 -4.82885 -71.9987 -36.5377 31.8462 -4.24937 33.4851 8.67974 TIMING: 2068000 CPU: 6601.01, 0.00318223/step Wall: 6601.01, 0.00318223/step, 2.59175 hours remaining, 239.835938 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: 2068000 3975.1045 20295.2986 14481.4231 265.9440 -203475.7449 2422.8190 0.0000 0.0000 52275.6932 -109759.4625 300.4291 -162035.1557 -109390.1398 298.9089 -184.5462 -157.9212 760790.7613 -0.9050 -0.9441 PRESSURE: 2068200 -95.4647 -87.0533 176.336 -87.0528 -220.274 -94.2388 176.336 -94.239 8.79825 GPRESSURE: 2068200 -106.836 -102.324 206.506 -13.6204 -157.688 -197.109 131.628 -29.5095 28.1356 PRESSAVG: 2068200 -4.7699 -4.18944 55.6976 -4.18949 47.6132 61.9594 55.6976 61.9594 -0.887578 GPRESSAVG: 2068200 -6.4151 -5.1293 55.9394 -3.6088 50.3688 62.889 55.4645 63.0229 -1.78899 TIMING: 2068200 CPU: 6601.66, 0.00321012/step Wall: 6601.66, 0.00321012/step, 2.61429 hours remaining, 239.835938 MB of memory in use. ENERGY: 2068200 3987.3261 20573.4818 14467.0771 254.3703 -203691.5126 2554.3112 0.0000 0.0000 51872.0131 -109982.9330 298.1092 -161854.9461 -109621.7685 298.6790 -102.3136 -78.7963 760911.9030 13.9852 14.0549 LDB: ============= START OF LOAD BALANCING ============== 6614.11 LDB: ============== END OF LOAD BALANCING =============== 6614.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6614.11 LDB: ============= START OF LOAD BALANCING ============== 6614.44 LDB: Largest compute 7034 load 0.036132 is 18.5% of average load 0.195131 LDB: Average compute 0.004381 is 2.2% of average load 0.195131 LDB: TIME 6614.44 LOAD: AVG 0.195131 MAX 0.213258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 6614.44 LOAD: AVG 0.195131 MAX 0.213258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 6614.44 LOAD: AVG 0.195131 MAX 0.213258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 6614.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6614.45 PRESSURE: 2068400 -214.147 -58.3311 -189.746 -58.3315 106.848 278.959 -189.746 278.96 -53.8638 GPRESSURE: 2068400 -108.834 -78.5517 -196.668 -141.207 98.9233 214.676 -168.412 302.217 -57.9968 PRESSAVG: 2068400 -11.6568 -48.8228 13.8846 -48.8228 -8.01098 46.3602 13.8846 46.3603 -10.1874 GPRESSAVG: 2068400 -11.0912 -46.7118 13.8012 -50.7539 -8.31643 43.93 15.4504 47.0833 -10.4726 TIMING: 2068400 CPU: 6602.31, 0.00329383/step Wall: 6602.31, 0.00329383/step, 2.68228 hours remaining, 239.835938 MB of memory in use. ENERGY: 2068400 3990.2248 20515.2030 14501.6742 242.2122 -203808.5398 2681.5517 0.0000 0.0000 52074.4663 -109803.2076 299.2727 -161877.6739 -109439.1486 298.6357 -53.7210 -22.6359 760842.5232 -9.9517 -9.9601 PRESSURE: 2068600 90.1358 -173.996 33.3424 -173.995 562.127 96.0519 33.3434 96.0523 -160.522 GPRESSURE: 2068600 41.5855 -195.512 10.8891 -157.995 642.645 160.395 46.5787 190.23 -130.499 PRESSAVG: 2068600 -84.7761 -72.6075 -42.489 -72.6076 53.0947 48.246 -42.489 48.2461 -3.6173 GPRESSAVG: 2068600 -84.7671 -73.3062 -40.4411 -71.0077 52.841 50.0067 -44.3291 45.9529 -3.02672 TIMING: 2068600 CPU: 6602.95, 0.00319819/step Wall: 6602.95, 0.00319819/step, 2.60422 hours remaining, 239.835938 MB of memory in use. ENERGY: 2068600 4006.9404 20509.3476 14489.5100 258.3491 -203975.4613 2874.9440 0.0000 0.0000 52137.8445 -109698.5258 299.6369 -161836.3703 -109340.6900 298.7408 163.9136 184.5772 761916.8281 -11.7662 -11.6509 PRESSURE: 2068800 9.0722 -69.6241 87.4275 -69.6246 -91.7089 -192.487 87.4268 -192.487 -196.466 GPRESSURE: 2068800 75.273 -86.865 -2.96077 -6.9647 -16.7567 -192.989 37.1069 -207.582 -245.807 PRESSAVG: 2068800 -17.5006 -41.0047 -4.20823 -41.0047 51.0868 -19.884 -4.20819 -19.8841 -3.25346 GPRESSAVG: 2068800 -16.8598 -41.6936 -5.84804 -40.5936 51.4902 -19.0555 -2.63513 -19.7007 -3.78595 TIMING: 2068800 CPU: 6603.59, 0.00316369/step Wall: 6603.59, 0.00316369/step, 2.57595 hours remaining, 239.835938 MB of memory in use. ENERGY: 2068800 4049.2154 20440.0413 14444.4689 257.7690 -203556.6821 2787.1154 0.0000 0.0000 51865.8435 -109712.2286 298.0737 -161578.0721 -109347.1465 299.0379 -93.0341 -62.4302 762353.8986 10.1109 10.2815 PRESSURE: 2069000 -33.9711 158.849 -101.189 158.849 -173.434 30.49 -101.19 30.4889 -421.788 GPRESSURE: 2069000 -18.4943 257.485 -89.2277 118.26 -151.133 21.4856 -80.8577 140.862 -400.043 PRESSAVG: 2069000 37.1506 -30.4876 -17.9636 -30.4876 -34.7761 -8.34361 -17.9636 -8.34359 -4.73151 GPRESSAVG: 2069000 36.1154 -29.816 -17.1566 -31.1749 -35.2329 -7.78617 -19.5253 -8.84975 -3.33791 TIMING: 2069000 CPU: 6604.22, 0.00318916/step Wall: 6604.22, 0.00318916/step, 2.59651 hours remaining, 239.835938 MB of memory in use. ENERGY: 2069000 4039.4890 20615.5706 14450.5743 260.9011 -203591.4937 2463.7326 0.0000 0.0000 52032.7438 -109728.4823 299.0329 -161761.2261 -109367.5028 299.0979 -209.7313 -189.8901 762336.8396 -0.7857 -0.8185 PRESSURE: 2069200 -83.8844 8.3055 -82.3545 8.30538 208.803 -78.101 -82.3546 -78.1013 -139.309 GPRESSURE: 2069200 14.5681 -58.7096 -160.172 7.92022 186.105 -7.39294 -55.1159 -32.5336 -123.658 PRESSAVG: 2069200 -42.9244 30.7406 -28.61 30.7405 86.8746 -23.5501 -28.61 -23.5501 -2.69681 GPRESSAVG: 2069200 -40.955 31.7774 -29.1167 30.1389 84.4931 -25.1362 -28.0835 -22.5362 -2.5914 TIMING: 2069200 CPU: 6604.86, 0.00319268/step Wall: 6604.86, 0.00319268/step, 2.59919 hours remaining, 239.835938 MB of memory in use. ENERGY: 2069200 4068.4359 20582.5130 14434.0206 253.5723 -203430.9208 2753.6256 0.0000 0.0000 51708.6258 -109630.1277 297.1702 -161338.7535 -109264.0331 298.7348 -4.7970 25.6717 762715.8540 13.7511 13.6489 PRESSURE: 2069400 -125.057 -8.07379 -292.246 -8.07354 23.2212 39.4941 -292.246 39.4938 117.513 GPRESSURE: 2069400 -64.3134 18.5171 -304.521 143.883 85.15 6.28145 -232.148 144.534 87.5671 PRESSAVG: 2069400 -13.5959 10.6992 8.80524 10.6992 27.8679 0.0215093 8.80526 0.0215101 -2.69801 GPRESSAVG: 2069400 -16.8388 9.97068 8.29976 12.1629 30.523 0.341754 11.4027 -1.27525 -1.4186 TIMING: 2069400 CPU: 6605.51, 0.0032383/step Wall: 6605.51, 0.0032383/step, 2.63616 hours remaining, 239.835938 MB of memory in use. ENERGY: 2069400 4017.4981 20602.3204 14432.9315 237.1573 -203144.7676 2414.0013 0.0000 0.0000 51646.8166 -109794.0424 296.8150 -161440.8590 -109437.5115 298.8835 5.2258 36.1346 761945.1894 3.8580 4.0885 PRESSURE: 2069600 116.768 282.37 45.3414 282.371 23.7102 93.4145 45.341 93.4152 171.059 GPRESSURE: 2069600 185.744 132.496 58.1723 166.957 49.3161 135.033 19.46 27.4153 144.211 PRESSAVG: 2069600 -48.6122 -4.45267 24.9917 -4.45261 57.9274 36.8503 24.9918 36.8503 -6.39697 GPRESSAVG: 2069600 -47.0234 -4.2104 26.6184 -8.03636 58.0849 36.6048 24.54 35.97 -8.30079 TIMING: 2069600 CPU: 6606.15, 0.00318927/step Wall: 6606.15, 0.00318927/step, 2.59606 hours remaining, 239.835938 MB of memory in use. ENERGY: 2069600 3914.4452 20474.3373 14484.4157 267.1519 -203744.9713 2763.5048 0.0000 0.0000 52132.9741 -109708.1422 299.6089 -161841.1164 -109350.2022 298.7935 103.8458 126.4237 759479.6832 0.9728 0.9202 PRESSURE: 2069800 373.4 49.2606 30.197 49.2603 142.64 -70.6471 30.1956 -70.6474 222.085 GPRESSURE: 2069800 425.934 78.4913 38.5244 142.881 122.897 -66.6029 -0.948452 62.4792 263.768 PRESSAVG: 2069800 -4.87488 -33.6154 28.3936 -33.6153 21.5779 -8.54164 28.3936 -8.54156 -13.6585 GPRESSAVG: 2069800 -4.38036 -33.7297 28.072 -31.333 20.8766 -8.13248 27.7822 -7.55673 -13.3144 TIMING: 2069800 CPU: 6606.78, 0.00316548/step Wall: 6606.78, 0.00316548/step, 2.57652 hours remaining, 239.835938 MB of memory in use. ENERGY: 2069800 3987.5052 20640.9647 14423.5978 239.5296 -203791.5880 2749.9150 0.0000 0.0000 52110.0576 -109640.0182 299.4772 -161750.0758 -109274.3473 298.7202 246.0415 270.8664 759516.0989 1.0148 1.0606 PRESSURE: 2070000 28.6862 -127.782 12.8331 -127.782 345.555 277.927 12.8329 277.926 -359.331 GPRESSURE: 2070000 108.441 -67.5384 -63.7254 -108.047 398.472 261.355 -73.3493 304.92 -415.688 PRESSAVG: 2070000 21.0062 -114.596 -56.4237 -114.596 -47.1741 12.6323 -56.4237 12.6323 -14.6815 GPRESSAVG: 2070000 19.4081 -114.028 -57.3939 -112.998 -45.9465 12.7485 -55.8394 14.6294 -14.1194 TIMING: 2070000 CPU: 6607.42, 0.00318022/step Wall: 6607.42, 0.00318022/step, 2.58834 hours remaining, 239.835938 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: 2070000 4005.8680 20518.5459 14428.8085 266.8894 -203650.2238 2630.9289 0.0000 0.0000 52271.8229 -109527.3602 300.4069 -161799.1831 -109163.7302 299.0819 4.9702 30.4080 761445.4311 -13.6165 -13.5526 PRESSURE: 2070200 -70.6454 18.5244 84.2663 18.5251 -56.0797 -16.6435 84.2657 -16.643 54.0996 GPRESSURE: 2070200 32.5727 14.5714 -75.8202 11.2695 10.4569 -9.59527 77.1109 -27.2109 -20.0647 PRESSAVG: 2070200 -23.2171 -22.2283 -9.07977 -22.2283 2.94845 30.4631 -9.07978 30.463 -6.50269 GPRESSAVG: 2070200 -21.4031 -21.8248 -7.95557 -23.0648 2.28664 30.5742 -12.2434 26.9915 -7.75273 TIMING: 2070200 CPU: 6608.05, 0.00317335/step Wall: 6608.05, 0.00317335/step, 2.58258 hours remaining, 239.835938 MB of memory in use. ENERGY: 2070200 3993.0201 20560.8084 14434.7241 262.0124 -203424.5733 2652.4773 0.0000 0.0000 51910.9804 -109610.5505 298.3331 -161521.5309 -109257.2736 298.9973 -24.2085 7.6550 761227.9945 -8.9238 -8.9564 PRESSURE: 2070400 299.366 13.9164 -55.7038 13.9173 -134.528 -318.158 -55.7031 -318.159 -149.426 GPRESSURE: 2070400 265.659 6.67055 23.4848 46.2281 -61.9385 -248.016 -66.452 -125.611 -91.2091 PRESSAVG: 2070400 2.27737 0.831946 -40.5854 0.831971 -4.3589 65.4882 -40.5854 65.4882 -4.2099 GPRESSAVG: 2070400 2.19191 1.29946 -42.5294 0.815799 -5.38237 65.2654 -38.4503 68.2143 -2.41887 TIMING: 2070400 CPU: 6608.69, 0.00318002/step Wall: 6608.69, 0.00318002/step, 2.58783 hours remaining, 239.835938 MB of memory in use. ENERGY: 2070400 4005.4147 20308.4644 14486.6595 236.6590 -203258.5234 2545.6314 0.0000 0.0000 51960.6957 -109714.9987 298.6188 -161675.6944 -109356.0407 298.3699 5.1374 37.5038 762092.7827 -2.0971 -1.8698 PRESSURE: 2070600 -166.913 -59.719 -59.5309 -59.7181 -337.861 276.761 -59.5317 276.76 91.8783 GPRESSURE: 2070600 -74.7053 -159.189 -66.746 -46.7172 -312.532 218.736 -122.258 262.635 44.1055 PRESSAVG: 2070600 -48.9113 23.4129 0.60715 23.4129 22.5215 44.5017 0.607078 44.5016 2.0589 GPRESSAVG: 2070600 -50.507 21.5859 2.03697 24.6313 23.4238 43.0566 -0.307386 44.7857 2.02742 TIMING: 2070600 CPU: 6609.33, 0.00318875/step Wall: 6609.33, 0.00318875/step, 2.59476 hours remaining, 239.835938 MB of memory in use. ENERGY: 2070600 3986.9712 20459.4563 14402.9398 251.3712 -203073.8806 2403.2575 0.0000 0.0000 51760.1034 -109809.7812 297.4660 -161569.8846 -109453.8469 298.1903 -137.6320 -114.3771 762768.6463 -8.1103 -8.3519 PRESSURE: 2070800 29.7328 146.735 5.97749 146.735 167.423 -137.713 5.97795 -137.714 183.863 GPRESSURE: 2070800 114.353 137.795 -39.9882 -38.4451 131.468 -132.191 -37.9497 -127.984 231.503 PRESSAVG: 2070800 -5.57889 -33.3078 23.2363 -33.3078 -17.3232 36.7774 23.2363 36.7774 -0.132593 GPRESSAVG: 2070800 -4.01902 -31.0904 23.18 -34.3422 -18.0677 38.2787 21.5887 36.8573 -1.33061 TIMING: 2070800 CPU: 6609.96, 0.00318314/step Wall: 6609.96, 0.00318314/step, 2.59002 hours remaining, 239.835938 MB of memory in use. ENERGY: 2070800 4075.4196 20421.9502 14471.2027 237.1996 -203631.9205 2893.3547 0.0000 0.0000 51811.5102 -109721.2834 297.7615 -161532.7937 -109363.4046 298.5592 127.0060 159.1079 761150.8255 -7.6782 -7.8058 PRESSURE: 2071000 -120.004 -75.2015 -73.9702 -75.2013 -149.68 83.9223 -73.9698 83.9224 -160.177 GPRESSURE: 2071000 -5.25785 -218.018 -93.3604 -92.1171 -168.019 48.4188 -45.8769 6.50473 -177.323 PRESSAVG: 2071000 56.0675 -115.843 -0.820418 -115.843 -20.5621 77.1014 -0.820413 77.1014 12.5116 GPRESSAVG: 2071000 54.3876 -116.013 -2.79591 -117.685 -20.59 75.8027 2.45499 75.6985 14.0459 TIMING: 2071000 CPU: 6610.59, 0.00315664/step Wall: 6610.59, 0.00315664/step, 2.56828 hours remaining, 239.835938 MB of memory in use. ENERGY: 2071000 4068.6770 20432.9199 14450.3179 237.2829 -203528.8249 2653.2764 0.0000 0.0000 51976.9737 -109709.3771 298.7124 -161686.3508 -109349.3565 298.4034 -143.2870 -116.8666 761513.4049 16.0057 15.9478 PRESSURE: 2071200 -4.34466 112.071 -115.603 112.071 124.494 -51.0367 -115.604 -51.0367 174.527 GPRESSURE: 2071200 37.7516 150.108 -128.905 -17.6481 147.365 -85.5206 -36.793 55.6016 193.343 PRESSAVG: 2071200 -44.8911 -64.46 -4.04386 -64.4599 67.8259 32.7076 -4.04389 32.7077 -3.0619 GPRESSAVG: 2071200 -45.9207 -65.8477 -3.64641 -64.7846 68.8641 33.4327 -4.57802 34.3728 -3.22402 TIMING: 2071200 CPU: 6611.23, 0.0031846/step Wall: 6611.23, 0.0031846/step, 2.59085 hours remaining, 239.835938 MB of memory in use. ENERGY: 2071200 3907.2118 20253.5399 14428.4110 253.0224 -203290.3321 2737.1287 0.0000 0.0000 52004.1209 -109706.8974 298.8684 -161711.0183 -109345.2647 298.7149 98.2257 126.1531 762101.6337 6.6243 6.5731 PRESSURE: 2071400 144.411 -147.421 303.711 -147.421 36.028 328.182 303.711 328.182 -33.9932 GPRESSURE: 2071400 95.6748 -46.5325 310.206 -175.291 160.412 294.345 159.209 279.141 3.56577 PRESSAVG: 2071400 -48.0226 -29.6075 22.5065 -29.6075 53.4106 76.6155 22.5066 76.6156 -14.9385 GPRESSAVG: 2071400 -47.2859 -27.5956 24.0502 -28.1579 52.0795 76.8606 21.6966 75.856 -14.6527 TIMING: 2071400 CPU: 6611.87, 0.0031718/step Wall: 6611.87, 0.0031718/step, 2.58026 hours remaining, 239.835938 MB of memory in use. ENERGY: 2071400 3943.5199 20386.2399 14426.9871 263.2023 -203888.7435 3034.3089 0.0000 0.0000 51934.2413 -109900.2440 298.4668 -161834.4854 -109531.5475 298.3917 48.8152 86.5509 763019.7554 -3.1835 -3.2864 PRESSURE: 2071600 -99.8896 130.683 46.1979 130.682 -249.294 -246.924 46.1989 -246.924 96.2083 GPRESSURE: 2071600 -51.5486 60.2741 52.7447 91.5957 -255.481 -269.519 161.203 -270.755 143.421 PRESSAVG: 2071600 -92.0359 -60.3741 -4.992 -60.3741 81.0657 19.4895 -4.99197 19.4895 6.9966 GPRESSAVG: 2071600 -91.9174 -62.1726 -4.0728 -59.6252 81.257 19.7892 -7.3346 19.1015 5.91124 TIMING: 2071600 CPU: 6612.5, 0.00316937/step Wall: 6612.5, 0.00316937/step, 2.57811 hours remaining, 239.835938 MB of memory in use. ENERGY: 2071600 4032.5982 20491.9701 14430.9174 255.6729 -203197.5143 2320.8132 0.0000 0.0000 52060.1251 -109605.4175 299.1903 -161665.5426 -109251.6584 298.2958 -84.3250 -54.5361 762075.6426 -1.3245 -1.5831 PRESSURE: 2071800 -114.986 -115.483 -114.351 -115.483 -266.549 -18.0854 -114.35 -18.0844 -363.439 GPRESSURE: 2071800 -85.7764 -93.0971 -122.704 -118.95 -292.31 -100.945 -225.805 -13.0458 -287.038 PRESSAVG: 2071800 33.2149 -16.5952 39.0533 -16.5952 -54.778 16.9001 39.0533 16.9002 -3.27056 GPRESSAVG: 2071800 31.4845 -18.2379 37.7138 -17.0942 -53.4536 16.1032 39.2725 18.1381 -3.05864 TIMING: 2071800 CPU: 6613.12, 0.00312952/step Wall: 6613.12, 0.00312952/step, 2.54552 hours remaining, 239.835938 MB of memory in use. ENERGY: 2071800 3983.7838 20534.0084 14464.8499 212.9024 -203450.7126 2549.2603 0.0000 0.0000 52045.7650 -109660.1428 299.1077 -161705.9078 -109299.5784 298.5822 -248.3245 -221.7083 761485.5063 -8.2779 -8.3426 PRESSURE: 2072000 140.913 26.0795 -104.222 26.0795 82.858 150.789 -104.222 150.789 41.6578 GPRESSURE: 2072000 160.402 38.2476 -183.979 -68.8799 92.2619 183.093 -81.5238 7.65086 85.2722 PRESSAVG: 2072000 52.6479 -38.0362 -14.3357 -38.0363 20.2242 53.5147 -14.3357 53.5147 -12.6827 GPRESSAVG: 2072000 54.0964 -36.3998 -14.1993 -37.7342 18.9761 54.9363 -12.2341 49.6346 -12.8834 TIMING: 2072000 CPU: 6613.76, 0.0031641/step Wall: 6613.76, 0.00316411/step, 2.57347 hours remaining, 239.835938 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: 2072000 3990.6035 20591.6673 14422.3365 243.6627 -203351.7554 2689.0888 0.0000 0.0000 51863.3990 -109550.9974 298.0597 -161414.3965 -109188.6218 298.9029 88.4763 112.6454 763526.3924 20.0631 20.0630 PRESSURE: 2072200 -147.83 266.121 -111.78 266.121 250.85 74.4237 -111.781 74.425 -234.585 GPRESSURE: 2072200 -141.208 267.333 -99.1908 258.127 294.391 126.482 -3.01874 104.872 -193.134 PRESSAVG: 2072200 -24.2384 9.21133 43.3435 9.21137 6.38246 28.2319 43.3435 28.232 6.86478 GPRESSAVG: 2072200 -24.3391 8.07763 44.2487 9.11764 6.19359 25.9872 43.0105 30.4123 7.23135 TIMING: 2072200 CPU: 6614.39, 0.00317092/step Wall: 6614.39, 0.00317092/step, 2.57884 hours remaining, 239.835938 MB of memory in use. ENERGY: 2072200 3967.9068 20614.8834 14426.0278 255.5506 -203577.7903 2675.6332 0.0000 0.0000 52213.3483 -109424.4401 300.0708 -161637.7884 -109058.5103 299.1325 -43.8554 -13.3171 761653.6259 -3.6637 -3.6380 LDB: ============= START OF LOAD BALANCING ============== 6626.85 LDB: ============== END OF LOAD BALANCING =============== 6626.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6626.85 LDB: ============= START OF LOAD BALANCING ============== 6627.16 LDB: Largest compute 7071 load 0.035394 is 18.1% of average load 0.195095 LDB: Average compute 0.004403 is 2.3% of average load 0.195095 LDB: TIME 6627.17 LOAD: AVG 0.195095 MAX 0.215267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 6627.17 LOAD: AVG 0.195095 MAX 0.215267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 6627.17 LOAD: AVG 0.195095 MAX 0.215267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 6627.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6627.17 PRESSURE: 2072400 99.7584 -63.5073 47.9872 -63.5062 44.7692 117.711 47.9876 117.71 -348.061 GPRESSURE: 2072400 157.707 -41.473 90.4857 -33.3332 54.7818 25.9547 6.54415 157.089 -340.689 PRESSAVG: 2072400 -24.3764 -69.8369 23.8708 -69.8368 -7.23082 15.6589 23.8708 15.6589 -2.91898 GPRESSAVG: 2072400 -24.4386 -67.3715 22.8535 -67.7296 -5.67802 16.866 22.9697 15.6538 -4.45646 TIMING: 2072400 CPU: 6615.04, 0.0032302/step Wall: 6615.04, 0.0032302/step, 2.62687 hours remaining, 240.609375 MB of memory in use. ENERGY: 2072400 3988.1422 20448.0408 14429.3073 239.1109 -203521.6238 2753.2119 0.0000 0.0000 52264.1429 -109399.6678 300.3627 -161663.8107 -109036.0307 299.4167 -67.8445 -42.7332 762325.0894 -11.5088 -11.5244 PRESSURE: 2072600 134.46 -0.881057 191.097 -0.881056 108.245 154.868 191.098 154.869 451.755 GPRESSURE: 2072600 168.558 1.99293 247.822 -15.9303 195.591 208.859 194.901 108.175 409.637 PRESSAVG: 2072600 -13.0214 -89.1045 30.2088 -89.1045 -23.0755 -10.7572 30.2088 -10.7573 11.0749 GPRESSAVG: 2072600 -13.4793 -88.8305 31.3939 -90.4577 -22.9116 -10.5223 30.9573 -10.0141 11.667 TIMING: 2072600 CPU: 6615.67, 0.00316399/step Wall: 6615.67, 0.00316399/step, 2.57285 hours remaining, 240.609375 MB of memory in use. ENERGY: 2072600 3969.6784 20487.3830 14456.8817 249.6655 -203331.0180 2875.0075 0.0000 0.0000 51909.9980 -109382.4039 298.3275 -161292.4019 -109014.2726 299.5604 231.4867 257.9287 762667.0860 -8.3407 -8.2413 PRESSURE: 2072800 -117.237 -216.617 67.6298 -216.618 -231.892 67.669 67.6289 67.6688 -323.126 GPRESSURE: 2072800 -8.10774 -140.62 120.83 -272.543 -267.476 41.2414 142.513 35.9786 -299.959 PRESSAVG: 2072800 -4.38233 5.72183 -16.5285 5.72181 -12.3045 63.8153 -16.5285 63.8153 -0.887827 GPRESSAVG: 2072800 -3.85643 6.03075 -17.5062 5.06282 -12.8406 63.3693 -16.4823 62.8966 -0.580973 TIMING: 2072800 CPU: 6616.31, 0.00318027/step Wall: 6616.31, 0.00318027/step, 2.58591 hours remaining, 240.609375 MB of memory in use. ENERGY: 2072800 4052.3408 20676.8688 14395.7899 242.0553 -203169.2034 2532.2315 0.0000 0.0000 51824.8994 -109445.0176 297.8384 -161269.9170 -109087.4113 299.0451 -224.0851 -191.8474 762312.7078 -5.8582 -5.7593 PRESSURE: 2073000 209.999 172.261 -276.971 172.26 261.153 39.8332 -276.971 39.8333 -20.0622 GPRESSURE: 2073000 222.369 235.116 -100.442 229.986 301.235 148.878 -318.327 -58.8739 6.05901 PRESSAVG: 2073000 87.8635 -60.5409 -51.3443 -60.541 -63.7783 11.7205 -51.3443 11.7205 5.61361 GPRESSAVG: 2073000 86.6157 -61.9631 -51.4019 -60.8544 -62.8039 10.5229 -51.762 10.4498 5.69335 TIMING: 2073000 CPU: 6616.95, 0.00320279/step Wall: 6616.95, 0.00320279/step, 2.60405 hours remaining, 240.609375 MB of memory in use. ENERGY: 2073000 3949.7570 20647.1067 14487.2993 256.3241 -203826.8302 3001.0731 0.0000 0.0000 52167.3803 -109317.8898 299.8067 -161485.2700 -108952.9302 299.6506 150.3631 176.5546 763794.6944 9.8996 9.8350 PRESSURE: 2073200 182.457 -133.408 -99.4888 -133.408 119.842 88.2514 -99.4878 88.2512 341.487 GPRESSURE: 2073200 173.944 -93.1015 -97.6495 -54.7467 128.172 35.8481 -40.1955 34.0624 433.135 PRESSAVG: 2073200 -66.3086 -84.8803 5.514 -84.8803 38.5542 9.29693 5.51396 9.29687 23.4158 GPRESSAVG: 2073200 -65.1512 -83.856 3.67329 -85.5748 37.8107 10.5607 7.71087 10.2328 22.9159 TIMING: 2073200 CPU: 6617.58, 0.00318003/step Wall: 6617.58, 0.00318003/step, 2.58537 hours remaining, 240.609375 MB of memory in use. ENERGY: 2073200 4048.1073 20517.6343 14481.3034 268.5826 -203181.8363 2709.5645 0.0000 0.0000 52030.6222 -109126.0220 299.0207 -161156.6442 -108763.7421 299.6808 214.5955 245.0838 762047.3105 -1.4462 -1.4749 PRESSURE: 2073400 -327.329 -200.008 -21.6547 -200.008 48.5849 189.591 -21.6551 189.59 95.2567 GPRESSURE: 2073400 -302.756 -195.573 -55.1065 -222.756 94.8289 181.169 63.154 203.027 108.59 PRESSAVG: 2073400 12.461 -66.2285 1.52701 -66.2285 15.9733 14.437 1.52703 14.437 13.9316 GPRESSAVG: 2073400 12.5919 -67.8817 2.2538 -65.3719 16.0881 13.6397 0.508776 14.9657 13.993 TIMING: 2073400 CPU: 6618.22, 0.00317542/step Wall: 6618.22, 0.00317542/step, 2.58144 hours remaining, 240.609375 MB of memory in use. ENERGY: 2073400 3963.0577 20495.8890 14484.4804 236.6973 -203262.9741 2595.3730 0.0000 0.0000 52197.7686 -109289.7080 299.9813 -161487.4766 -108933.1531 299.7392 -61.1624 -33.1125 760546.5910 14.1220 14.2243 PRESSURE: 2073600 71.1284 75.1261 -202.14 75.1253 123.021 -46.7356 -202.139 -46.7357 556.78 GPRESSURE: 2073600 94.1413 112.702 -88.7609 8.55867 196.007 -9.14355 -310.501 0.203 535.428 PRESSAVG: 2073600 -67.5037 -3.75876 76.1764 -3.75872 63.2559 30.9762 76.1765 30.9761 3.05652 GPRESSAVG: 2073600 -67.8171 -1.67715 78.1085 -3.32057 63.4318 30.9264 73.4096 30.0119 2.01261 TIMING: 2073600 CPU: 6618.86, 0.003191/step Wall: 6618.86, 0.003191/step, 2.59393 hours remaining, 240.609375 MB of memory in use. ENERGY: 2073600 4005.2573 20376.3706 14489.7845 248.2777 -203275.5976 2680.0849 0.0000 0.0000 52141.7706 -109334.0521 299.6595 -161475.8226 -108978.0739 299.2601 250.3098 275.1919 760906.1628 -0.3971 -0.7909 PRESSURE: 2073800 163.235 1.68062 296.805 1.68011 121.149 -106.289 296.804 -106.29 77.8681 GPRESSURE: 2073800 122.774 26.9204 304.488 -75.3771 168.442 -173.191 147.164 -51.1165 156.477 PRESSAVG: 2073800 -46.6179 13.2198 -7.87985 13.2199 55.403 18.1503 -7.8798 18.1504 -15.8643 GPRESSAVG: 2073800 -46.4001 10.7597 -9.12598 14.2752 54.1912 17.8344 -6.99648 19.4389 -14.8216 TIMING: 2073800 CPU: 6619.49, 0.00317653/step Wall: 6619.49, 0.00317653/step, 2.58199 hours remaining, 240.609375 MB of memory in use. ENERGY: 2073800 3995.9625 20446.7002 14426.3821 243.9572 -203167.4411 2408.6295 0.0000 0.0000 52244.2601 -109401.5494 300.2485 -161645.8095 -109034.9367 299.8702 120.7508 149.2310 762189.1907 -2.3597 -2.3435 PRESSURE: 2074000 68.7925 -247.302 16.2713 -247.302 351.301 62.1391 16.2718 62.1382 -198.568 GPRESSURE: 2074000 132.784 -180.782 60.3468 -120.677 330.201 43.7783 34.8583 75.0721 -196.41 PRESSAVG: 2074000 -60.9038 -51.6782 -18.7019 -51.6782 68.8134 -9.22481 -18.7019 -9.22479 -2.67864 GPRESSAVG: 2074000 -61.4496 -48.5062 -17.6207 -52.418 69.8907 -9.05619 -16.6047 -8.90229 -3.22287 TIMING: 2074000 CPU: 6620.13, 0.0031937/step Wall: 6620.13, 0.0031937/step, 2.59577 hours remaining, 240.609375 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: 2074000 4041.0616 20650.5891 14399.1700 266.4816 -203203.5079 2631.7089 0.0000 0.0000 51933.2661 -109281.2307 298.4612 -161214.4968 -108920.9252 299.5544 73.8420 88.8585 761692.9069 1.7436 1.7394 PRESSURE: 2074200 210.514 76.7954 55.1459 76.796 330.014 40.2059 55.1463 40.2061 -14.162 GPRESSURE: 2074200 305.36 61.0698 113.792 -92.4234 274.306 75.9318 59.2603 -106.219 9.36894 PRESSAVG: 2074200 -37.8453 -19.6484 35.7011 -19.6483 55.9867 50.8355 35.7011 50.8355 -0.85473 GPRESSAVG: 2074200 -37.2191 -19.6906 35.7854 -21.7223 54.6531 50.3345 34.2496 50.3829 -0.131642 TIMING: 2074200 CPU: 6620.77, 0.00318155/step Wall: 6620.77, 0.00318155/step, 2.58571 hours remaining, 240.609375 MB of memory in use. ENERGY: 2074200 4046.9013 20570.6558 14442.7101 237.6528 -203406.1068 2699.9598 0.0000 0.0000 52143.7488 -109264.4782 299.6708 -161408.2270 -108916.7802 299.9032 175.4553 196.3450 760677.6736 5.7622 5.7675 PRESSURE: 2074400 -184.183 85.7948 -68.4236 85.7947 -38.4871 -4.16373 -68.4234 -4.16396 -81.9853 GPRESSURE: 2074400 -118.756 49.1172 -35.808 40.6909 -36.6782 10.2968 -79.2183 146.415 -67.9612 PRESSAVG: 2074400 -44.257 -26.6567 -54.4033 -26.6567 34.1562 62.7448 -54.4033 62.7447 -20.5731 GPRESSAVG: 2074400 -44.5419 -28.1697 -55.776 -26.2246 35.2808 63.348 -54.769 62.2393 -21.459 TIMING: 2074400 CPU: 6621.4, 0.00315588/step Wall: 6621.4, 0.00315588/step, 2.56468 hours remaining, 240.609375 MB of memory in use. ENERGY: 2074400 3963.9963 20500.3355 14486.8425 246.3686 -203241.0224 2569.5816 0.0000 0.0000 52275.4210 -109198.4769 300.4276 -161473.8979 -108836.3867 299.7693 -101.5518 -74.4650 762447.9032 -10.2246 -10.2400 PRESSURE: 2074600 296.175 26.9189 -3.22781 26.919 -396.379 -67.5837 -3.22835 -67.5837 9.59039 GPRESSURE: 2074600 369.761 61.5676 39.815 -22.0658 -412.271 -152.406 -6.60153 -21.1125 20.2884 PRESSAVG: 2074600 -25.8513 -37.3592 13.7884 -37.3592 33.7276 35.4398 13.7884 35.4398 4.7892 GPRESSAVG: 2074600 -26.2485 -36.0688 14.891 -38.0344 34.7629 34.1039 15.8884 34.3124 4.1378 TIMING: 2074600 CPU: 6622.03, 0.00316374/step Wall: 6622.03, 0.00316374/step, 2.57089 hours remaining, 240.609375 MB of memory in use. ENERGY: 2074600 3976.9922 20345.6715 14427.2189 262.1122 -203236.6191 2718.7061 0.0000 0.0000 52169.6963 -109336.2218 299.8200 -161505.9182 -108962.9367 299.7172 -30.2044 -7.4071 761970.9360 4.2218 4.2174 PRESSURE: 2074800 -86.6275 7.19162 -120.386 7.1935 36.5456 286.45 -120.385 286.451 192.129 GPRESSURE: 2074800 -81.3935 37.6444 -124.957 -52.2231 45.0215 338.439 -138.719 299.633 251.118 PRESSAVG: 2074800 -30.4489 1.26581 16.9645 1.26583 45.2581 19.9423 16.9645 19.9424 12.9959 GPRESSAVG: 2074800 -30.0191 1.30359 17.3551 0.0613343 44.771 21.9147 14.9152 20.0911 13.9823 TIMING: 2074800 CPU: 6622.67, 0.00318036/step Wall: 6622.67, 0.00318036/step, 2.58422 hours remaining, 240.609375 MB of memory in use. ENERGY: 2074800 3945.0737 20460.3425 14563.2087 218.7300 -203108.2489 2469.2101 0.0000 0.0000 52254.1387 -109197.5453 300.3053 -161451.6840 -108834.9380 299.7401 47.3489 71.5818 761950.2490 9.2684 9.5781 PRESSURE: 2075000 -152.995 -50.017 13.063 -50.0169 -134.556 -64.0543 13.0634 -64.0545 -267.452 GPRESSURE: 2075000 -199.05 -70.636 77.089 60.5904 -71.7043 -16.5749 64.9913 -132.957 -202.842 PRESSAVG: 2075000 -11.555 -21.447 3.0518 -21.4469 21.4879 1.67493 3.05176 1.67494 17.6103 GPRESSAVG: 2075000 -12.5615 -21.2828 1.84134 -19.9613 22.0722 0.608237 3.3778 3.66823 17.5635 TIMING: 2075000 CPU: 6623.3, 0.00317287/step Wall: 6623.3, 0.00317287/step, 2.57796 hours remaining, 240.609375 MB of memory in use. ENERGY: 2075000 4061.6693 20674.5950 14571.7460 221.3116 -202711.9408 2183.0173 0.0000 0.0000 51761.5983 -109238.0033 297.4746 -160999.6016 -108889.7691 300.0234 -185.0008 -157.8654 761157.9446 9.1811 9.0247 PRESSURE: 2075200 41.14 77.0668 -357.053 77.0666 54.0638 -41.9905 -357.053 -41.9898 0.982685 GPRESSURE: 2075200 85.2536 -44.3498 -280.42 -71.8963 132.005 -53.8703 -313.751 -24.6918 -49.1159 PRESSAVG: 2075200 -17.4438 -19.3353 -67.1906 -19.3353 10.0827 2.23448 -67.1905 2.23447 -8.26917 GPRESSAVG: 2075200 -17.6384 -21.9836 -67.8902 -20.6885 10.5821 1.25118 -64.3108 0.134221 -8.8556 TIMING: 2075200 CPU: 6623.94, 0.00317188/step Wall: 6623.94, 0.00317187/step, 2.57697 hours remaining, 240.609375 MB of memory in use. ENERGY: 2075200 3974.5905 20500.2117 14486.7583 238.6789 -203245.7666 2621.9011 0.0000 0.0000 52028.4885 -109395.1377 299.0084 -161423.6262 -109017.5999 299.4954 32.0622 56.0474 762394.5689 -5.2101 -5.3040 PRESSURE: 2075400 46.0561 6.26018 -24.3694 6.25906 36.2565 236.442 -24.37 236.441 -79.57 GPRESSURE: 2075400 29.0503 -32.0905 -59.9903 59.5724 75.7269 202.647 100.587 365.262 -20.5644 PRESSAVG: 2075400 -27.0752 -48.0817 18.4933 -48.0817 20.9566 38.5061 18.4933 38.5061 7.16737 GPRESSAVG: 2075400 -26.7563 -47.1169 19.5238 -46.2973 20.2447 38.3396 16.181 41.0464 7.88666 TIMING: 2075400 CPU: 6624.57, 0.00317445/step Wall: 6624.57, 0.00317445/step, 2.57888 hours remaining, 240.609375 MB of memory in use. ENERGY: 2075400 4095.9250 20406.3650 14489.3382 250.2411 -203411.8984 2691.6834 0.0000 0.0000 52033.3537 -109444.9920 299.0364 -161478.3457 -109077.2024 299.3582 0.9142 28.0709 761299.7370 0.3496 0.4583 PRESSURE: 2075600 -11.3052 7.02303 -143.787 7.02396 -219.681 5.56414 -143.787 5.56492 -409.784 GPRESSURE: 2075600 -2.05483 -49.8513 -191.467 -73.9066 -226.145 61.1708 -124.192 20.0365 -328.2 PRESSAVG: 2075600 26.856 1.09888 -19.1147 1.09886 -18.264 -3.96722 -19.1146 -3.9672 12.3591 GPRESSAVG: 2075600 27.8771 1.76193 -20.9585 1.70159 -19.3336 -2.15488 -17.1544 -4.70518 12.0331 TIMING: 2075600 CPU: 6625.22, 0.00322372/step Wall: 6625.22, 0.00322372/step, 2.61874 hours remaining, 240.609375 MB of memory in use. ENERGY: 2075600 4092.1832 20474.9922 14516.4228 253.9075 -203267.4019 2447.7031 0.0000 0.0000 52051.6550 -109430.5381 299.1416 -161482.1931 -109079.6844 299.1255 -213.5903 -185.4664 761205.9728 6.9837 6.8589 PRESSURE: 2075800 -122.037 86.3158 149.065 86.3144 -67.7019 88.9474 149.066 88.9474 -731.69 GPRESSURE: 2075800 -112.785 175.02 114.226 21.5329 -17.4658 68.3931 -19.5448 81.4883 -702.855 PRESSAVG: 2075800 -5.59997 -19.7496 6.25482 -19.7496 13.1846 5.61146 6.25478 5.61145 -15.1863 GPRESSAVG: 2075800 -5.77797 -18.2603 6.66424 -21.2251 14.0481 6.00436 4.52151 4.85775 -15.1494 TIMING: 2075800 CPU: 6625.85, 0.0031658/step Wall: 6625.85, 0.0031658/step, 2.57151 hours remaining, 240.609375 MB of memory in use. ENERGY: 2075800 3980.8186 20609.5694 14496.1516 245.6116 -203348.5327 2501.0981 0.0000 0.0000 51987.2952 -109527.9883 298.7717 -161515.2835 -109157.4766 299.3545 -307.1428 -277.7018 761258.4849 -2.5339 -2.2931 PRESSURE: 2076000 417.948 -73.0707 -82.3484 -73.071 390.786 142.201 -82.3479 142.2 11.5209 GPRESSURE: 2076000 446.335 -81.6848 -208.907 4.2378 439.884 92.3224 -29.2554 165.355 39.4815 PRESSAVG: 2076000 17.24 22.8194 6.43017 22.8194 37.5715 17.2322 6.43011 17.2322 1.46094 GPRESSAVG: 2076000 15.7266 20.5095 6.79179 24.4881 38.3151 16.2039 6.47671 19.4314 1.47552 TIMING: 2076000 CPU: 6626.49, 0.00318177/step Wall: 6626.49, 0.00318177/step, 2.58431 hours remaining, 240.609375 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: 2076000 4033.1726 20598.2876 14444.0866 248.5070 -203541.0159 2792.7014 0.0000 0.0000 52218.8837 -109205.3771 300.1026 -161424.2607 -108850.8290 299.8484 273.4185 308.5669 760843.0641 18.7575 18.5057 PRESSURE: 2076200 245.884 105.621 -16.8172 105.621 287.904 -27.383 -16.8174 -27.3822 -313.796 GPRESSURE: 2076200 290.26 168.263 -50.607 159.993 259.704 45.5742 94.8145 -125.234 -244.699 PRESSAVG: 2076200 -17.3259 -30.992 15.1979 -30.992 -11.5827 -16.2172 15.1978 -16.2172 -20.1782 GPRESSAVG: 2076200 -16.6831 -27.9752 15.4577 -32.358 -13.0952 -15.4346 15.4298 -18.0274 -19.4654 TIMING: 2076200 CPU: 6627.13, 0.00322513/step Wall: 6627.13, 0.00322513/step, 2.61934 hours remaining, 240.609375 MB of memory in use. ENERGY: 2076200 3924.9356 20522.2417 14505.2806 269.3376 -203042.4791 2489.8210 0.0000 0.0000 52137.8064 -109193.0561 299.6367 -161330.8625 -108831.3279 299.6685 73.3307 101.7549 760795.9771 -16.3623 -16.4146 LDB: ============= START OF LOAD BALANCING ============== 6639.59 LDB: ============== END OF LOAD BALANCING =============== 6639.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6639.59 LDB: ============= START OF LOAD BALANCING ============== 6639.91 LDB: Largest compute 7070 load 0.036283 is 18.6% of average load 0.195273 LDB: Average compute 0.004389 is 2.2% of average load 0.195273 LDB: TIME 6639.91 LOAD: AVG 0.195273 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.129 MB LDB: TIME 6639.91 LOAD: AVG 0.195273 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.129 MB LDB: TIME 6639.91 LOAD: AVG 0.195273 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.129 MB LDB: ============== END OF LOAD BALANCING =============== 6639.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6639.92 PRESSURE: 2076400 -248.273 -0.51279 213.022 -0.51369 -334.409 -47.6384 213.021 -47.6379 -97.6355 GPRESSURE: 2076400 -239.211 38.7652 236.95 -9.21594 -183.23 -37.9768 73.5006 60.9525 -176.066 PRESSAVG: 2076400 21.091 -61.9059 3.08041 -61.906 24.941 -2.57215 3.08043 -2.57213 -12.0264 GPRESSAVG: 2076400 20.3278 -62.5229 4.6055 -61.9806 26.5759 -4.51041 3.83393 -1.85241 -12.7756 TIMING: 2076400 CPU: 6627.78, 0.00326597/step Wall: 6627.78, 0.00326597/step, 2.65233 hours remaining, 241.578125 MB of memory in use. ENERGY: 2076400 4068.4761 20609.8456 14463.5392 243.8041 -203051.2136 2380.3974 0.0000 0.0000 52028.0776 -109257.0735 299.0061 -161285.1511 -108901.2555 299.7603 -226.7724 -199.5025 763344.3221 11.3352 11.3760 PRESSURE: 2076600 275.369 -136.7 -80.2276 -136.7 117.191 -155.617 -80.2265 -155.617 38.8704 GPRESSURE: 2076600 275.07 -154.362 -47.6802 12.2086 177.469 -206.84 -24.3868 -26.7922 54.4053 PRESSAVG: 2076600 -3.42387 -21.1403 62.0474 -21.1403 7.5712 -23.8157 62.0474 -23.8157 9.12554 GPRESSAVG: 2076600 -3.46905 -23.1182 61.7528 -19.5526 7.0446 -23.7635 59.607 -24.448 9.68717 TIMING: 2076600 CPU: 6628.42, 0.00318219/step Wall: 6628.42, 0.00318219/step, 2.58412 hours remaining, 241.781250 MB of memory in use. ENERGY: 2076600 4028.2886 20481.5818 14482.6545 253.0849 -203390.5063 2642.2539 0.0000 0.0000 52211.5486 -109291.0941 300.0605 -161502.6427 -108932.5487 299.1350 143.8101 168.9816 760337.2470 4.4243 4.4209 PRESSURE: 2076800 263.409 163.042 75.0262 163.042 202.66 45.4498 75.025 45.4506 174.332 GPRESSURE: 2076800 325.048 223.75 68.7871 100.405 250.066 46.6768 124.12 -31.122 181.463 PRESSAVG: 2076800 -14.7195 -7.50215 28.0687 -7.50221 -15.2651 42.2404 28.0686 42.2404 14.7565 GPRESSAVG: 2076800 -12.9949 -6.4349 27.5525 -7.39636 -15.7418 43.8402 30.3784 41.5224 13.8036 TIMING: 2076800 CPU: 6629.05, 0.00316335/step Wall: 6629.05, 0.00316335/step, 2.56864 hours remaining, 241.781250 MB of memory in use. ENERGY: 2076800 4171.0686 20448.5844 14403.1007 264.6588 -203375.8239 2660.8913 0.0000 0.0000 52065.8787 -109361.6414 299.2233 -161427.5201 -109004.3373 299.3972 213.4668 252.1922 760519.6089 -5.0760 -4.9777 PRESSURE: 2077000 -191.004 33.5047 7.20219 33.5044 7.9023 161.537 7.20184 161.537 13.674 GPRESSURE: 2077000 -160.725 -18.5934 -126.923 45.2287 97.3779 125.173 -7.00903 127.779 -21.7549 PRESSAVG: 2077000 1.1169 22.1506 36.2897 22.1505 36.3328 22.6285 36.2897 22.6285 -8.95349 GPRESSAVG: 2077000 1.69897 20.4495 35.2057 22.6987 35.4828 21.2197 36.1031 20.838 -8.6682 TIMING: 2077000 CPU: 6629.69, 0.00316549/step Wall: 6629.69, 0.00316549/step, 2.5702 hours remaining, 241.781250 MB of memory in use. ENERGY: 2077000 3974.2898 20593.1906 14447.6756 259.7918 -203262.8544 2399.7338 0.0000 0.0000 52298.1039 -109290.0689 300.5579 -161588.1728 -108925.4068 299.7108 -56.4758 -28.3672 762640.9140 9.4987 9.5045 PRESSURE: 2077200 64.7382 -60.5401 77.327 -60.5408 449.865 309.879 77.3265 309.879 -134.584 GPRESSURE: 2077200 149.176 -73.0486 139.61 -179.826 481.068 307.691 21.2298 298.408 -172.524 PRESSAVG: 2077200 7.50497 -4.9648 56.2847 -4.96478 -21.0918 -44.9161 56.2846 -44.9162 13.156 GPRESSAVG: 2077200 6.89499 -4.47536 56.7879 -4.95037 -19.0583 -46.4083 53.7643 -40.2288 12.3785 TIMING: 2077200 CPU: 6630.32, 0.00317532/step Wall: 6630.32, 0.00317532/step, 2.57801 hours remaining, 241.781250 MB of memory in use. ENERGY: 2077200 4038.7936 20528.0511 14501.7803 261.8127 -203307.9010 2729.2564 0.0000 0.0000 51985.6204 -109262.5866 298.7621 -161248.2070 -108895.9008 299.8322 126.6732 152.5730 762110.7806 -0.1436 0.0718 PRESSURE: 2077400 66.5444 -22.0012 -40.398 -22.0019 -26.4377 61.5998 -40.3985 61.5994 -207.415 GPRESSURE: 2077400 10.3229 -36.4862 -30.7632 -31.9067 25.9759 81.8944 70.0255 60.1657 -122.933 PRESSAVG: 2077400 -12.2549 -30.0974 8.17513 -30.0974 -20.549 73.9851 8.17507 73.985 -17.0318 GPRESSAVG: 2077400 -13.0791 -27.0767 9.17808 -30.0967 -20.4385 75.1597 7.41846 70.6997 -15.9455 TIMING: 2077400 CPU: 6630.95, 0.00316566/step Wall: 6630.95, 0.00316566/step, 2.56999 hours remaining, 241.781250 MB of memory in use. ENERGY: 2077400 3982.3651 20539.0794 14414.4441 260.9335 -203195.5915 2586.4941 0.0000 0.0000 52268.2249 -109144.0504 300.3862 -161412.2753 -108778.8516 299.7266 -55.7693 -28.8782 761689.9261 -16.6119 -16.4877 PRESSURE: 2077600 -55.4279 -39.03 -3.53655 -39.0302 -192.163 175.292 -3.53627 175.291 -69.2962 GPRESSURE: 2077600 -40.99 17.6777 30.2483 5.49859 -112.759 182.547 4.78478 203.055 -59.8252 PRESSAVG: 2077600 25.548 -10.6837 48.7238 -10.6837 -8.07335 8.44151 48.7238 8.44148 17.0848 GPRESSAVG: 2077600 25.9241 -14.1055 47.5363 -12.2938 -8.94261 7.79873 48.3428 7.89537 18.0006 TIMING: 2077600 CPU: 6631.59, 0.00318749/step Wall: 6631.59, 0.00318749/step, 2.58754 hours remaining, 241.781250 MB of memory in use. ENERGY: 2077600 3966.9236 20535.3887 14529.7068 238.4345 -202854.5242 2193.4927 0.0000 0.0000 52147.9158 -109242.6621 299.6948 -161390.5779 -108874.9292 300.0230 -105.6291 -71.1913 760851.4839 11.5198 11.6607 PRESSURE: 2077800 233.693 159.031 96.4984 159.032 3.24525 136.138 96.4975 136.137 28.9483 GPRESSURE: 2077800 236.514 218.904 192.891 -31.7286 56.2259 117.321 65.3259 45.5862 64.2533 PRESSAVG: 2077800 -23.748 0.375939 21.4052 0.376024 22.4799 -39.0434 21.4052 -39.0434 -11.7128 GPRESSAVG: 2077800 -23.311 0.531973 21.9093 0.546462 22.5178 -38.1751 25.6697 -38.0477 -12.9205 TIMING: 2077800 CPU: 6632.22, 0.00315841/step Wall: 6632.22, 0.00315841/step, 2.56375 hours remaining, 241.781250 MB of memory in use. ENERGY: 2077800 3968.0270 20528.1909 14446.1736 244.4942 -203517.6436 2672.6274 0.0000 0.0000 52164.9700 -109493.1605 299.7928 -161658.1305 -109121.4633 299.5280 88.6287 118.9979 758946.3197 -4.3270 -4.5712 PRESSURE: 2078000 82.5073 112.238 140.288 112.237 134.091 142.499 140.289 142.499 -36.1026 GPRESSURE: 2078000 136.976 132.654 128.856 15.9979 137.794 105.153 135.543 204.113 -7.90648 PRESSAVG: 2078000 -0.0776814 -49.7232 39.4274 -49.7232 7.98383 56.209 39.4274 56.209 -23.2374 GPRESSAVG: 2078000 -0.788461 -48.5317 40.3314 -51.1366 7.09909 54.9195 36.8654 56.3431 -22.677 TIMING: 2078000 CPU: 6632.86, 0.0031897/step Wall: 6632.86, 0.0031897/step, 2.58897 hours remaining, 241.781250 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: 2078000 4020.8912 20581.7055 14418.2498 241.5300 -203504.3141 2662.3685 0.0000 0.0000 52083.6188 -109495.9504 299.3253 -161579.5692 -109129.5807 299.4199 60.1653 88.9543 761655.4654 -5.1104 -5.4555 PRESSURE: 2078200 -531.222 96.4277 -109.554 96.4281 -299.327 -204.223 -109.554 -204.222 -263.907 GPRESSURE: 2078200 -513.041 58.2964 -189.507 97.4462 -230.593 -160.474 -68.9201 -84.9818 -273.069 PRESSAVG: 2078200 0.761419 -17.5569 59.8117 -17.5569 -0.531626 52.0028 59.8117 52.0028 -3.53994 GPRESSAVG: 2078200 2.28389 -17.8366 58.5363 -17.1362 -1.06869 51.563 58.9776 51.9842 -4.59413 TIMING: 2078200 CPU: 6633.49, 0.00315554/step Wall: 6633.49, 0.00315554/step, 2.56107 hours remaining, 241.781250 MB of memory in use. ENERGY: 2078200 4068.7944 20674.5911 14390.9209 238.6454 -203483.5022 2469.6498 0.0000 0.0000 52155.0089 -109485.8918 299.7356 -161640.9007 -109118.1985 299.1043 -364.8186 -338.9008 761379.9764 -1.1034 -1.1263 PRESSURE: 2078400 377.85 -148.959 58.6276 -148.959 121.227 107.402 58.6279 107.4 -227.275 GPRESSURE: 2078400 300.504 -115.892 103.679 -4.00335 212.908 81.1686 184.487 100.122 -155.201 PRESSAVG: 2078400 -7.40211 2.19591 68.7026 2.19588 3.2271 37.4639 68.7026 37.4638 -0.479077 GPRESSAVG: 2078400 -9.76488 2.95302 68.5944 2.32537 3.65705 38.0663 68.0182 38.0554 1.7691 TIMING: 2078400 CPU: 6634.13, 0.00317787/step Wall: 6634.13, 0.00317787/step, 2.57902 hours remaining, 241.781250 MB of memory in use. ENERGY: 2078400 3965.3218 20774.1467 14322.6009 249.3241 -203415.7343 2539.0955 0.0000 0.0000 51950.5883 -109614.6570 298.5607 -161565.2452 -109244.0964 299.1184 90.6009 119.4036 759918.5926 -1.5514 -1.4462 PRESSURE: 2078600 207.323 145.73 -141.051 145.729 -128.087 246.436 -141.051 246.436 252.636 GPRESSURE: 2078600 215.259 31.072 -189.054 114.473 -109.803 222.264 60.666 214.288 305.379 PRESSAVG: 2078600 8.12634 -36.6662 7.42302 -36.6663 18.5844 50.1416 7.42301 50.1416 -25.5035 GPRESSAVG: 2078600 8.63894 -37.4487 7.70048 -35.5741 18.697 51.0366 9.0975 49.4117 -25.7062 TIMING: 2078600 CPU: 6634.76, 0.00317798/step Wall: 6634.76, 0.00317798/step, 2.57893 hours remaining, 241.781250 MB of memory in use. ENERGY: 2078600 3997.7246 20597.9793 14410.3144 252.5964 -203650.7003 2661.7784 0.0000 0.0000 52063.9039 -109666.4033 299.2120 -161730.3072 -109305.4562 298.9987 110.6242 136.9449 759504.6746 0.4024 0.5432 PRESSURE: 2078800 188.812 132.988 -109.674 132.989 -161.178 99.1532 -109.674 99.1537 476.181 GPRESSURE: 2078800 182.505 103.552 -84.3642 78.5638 -109.303 83.215 -135.209 -62.1259 520.209 PRESSAVG: 2078800 -9.43732 -34.8124 -21.0594 -34.8123 -11.1232 27.8107 -21.0594 27.8108 23.9045 GPRESSAVG: 2078800 -9.50962 -33.6164 -21.695 -35.6939 -9.71494 26.714 -21.5364 29.0482 22.4084 TIMING: 2078800 CPU: 6635.39, 0.00315493/step Wall: 6635.39, 0.00315493/step, 2.56005 hours remaining, 241.781250 MB of memory in use. ENERGY: 2078800 3934.5206 20637.4318 14453.6979 238.5316 -203380.7529 2530.9636 0.0000 0.0000 52095.2455 -109490.3618 299.3921 -161585.6073 -109126.7528 298.8827 167.9386 197.8038 761139.9239 1.1146 1.0613 PRESSURE: 2079000 -278.363 -139.979 230.628 -139.979 -40.7881 123.059 230.627 123.059 -292.511 GPRESSURE: 2079000 -200.708 -79.7925 227.932 -125.282 -116.442 115.1 182.863 45.4447 -203.405 PRESSAVG: 2079000 11.2037 -52.9687 -27.439 -52.9687 18.9212 13.6717 -27.4389 13.6717 -9.59408 GPRESSAVG: 2079000 12.6862 -55.4638 -26.4089 -50.3005 16.243 14.309 -26.9982 10.9314 -8.0244 TIMING: 2079000 CPU: 6636.03, 0.0031573/step Wall: 6636.03, 0.0031573/step, 2.5618 hours remaining, 241.781250 MB of memory in use. ENERGY: 2079000 3957.6669 20524.1479 14421.7780 262.8292 -203261.5976 2578.7333 0.0000 0.0000 52123.4745 -109392.9678 299.5543 -161516.4423 -109029.2242 299.1639 -203.8875 -173.5185 762766.0534 6.8436 6.9683 PRESSURE: 2079200 -172.095 60.5804 -60.2736 60.5803 -77.5383 82.0513 -60.2736 82.0524 117.517 GPRESSURE: 2079200 -137.931 -66.4395 -51.6427 -19.1188 23.2817 119.848 -65.4817 86.9375 63.7358 PRESSAVG: 2079200 -25.4845 -49.0369 54.0741 -49.0369 -37.4602 42.922 54.0742 42.922 -10.2336 GPRESSAVG: 2079200 -25.6795 -47.521 53.0923 -49.4965 -36.4811 43.1671 55.1522 43.5028 -11.2985 TIMING: 2079200 CPU: 6636.66, 0.00319104/step Wall: 6636.66, 0.00319105/step, 2.589 hours remaining, 241.781250 MB of memory in use. ENERGY: 2079200 3951.7749 20403.6638 14469.5032 266.7917 -203317.5466 2654.0573 0.0000 0.0000 52206.8144 -109364.9414 300.0333 -161571.7558 -108988.7607 299.4881 -44.0388 -16.9712 761965.3565 -24.3928 -24.4863 PRESSURE: 2079400 -309.454 107.359 -35.6821 107.358 -267.505 -79.0581 -35.6822 -79.0578 226.83 GPRESSURE: 2079400 -254.056 52.3019 -5.8436 54.1808 -223.921 61.2711 -15.0443 -3.79693 198.06 PRESSAVG: 2079400 24.6658 -76.7651 2.40909 -76.7651 45.9673 -2.48326 2.40903 -2.4833 -9.73803 GPRESSAVG: 2079400 25.3113 -73.3284 2.15125 -78.9544 46.1004 -0.826801 2.7544 -1.09965 -10.3493 TIMING: 2079400 CPU: 6637.29, 0.00314943/step Wall: 6637.29, 0.00314943/step, 2.55506 hours remaining, 241.781250 MB of memory in use. ENERGY: 2079400 3952.8189 20626.2966 14453.3849 249.6159 -203433.5182 2699.1668 0.0000 0.0000 52309.4582 -109142.7770 300.6232 -161452.2351 -108781.9257 299.7504 -116.7097 -93.3057 761134.7629 20.2984 20.3541 PRESSURE: 2079600 -43.0605 -57.439 178.671 -57.4382 -416.408 13.1931 178.671 13.1936 -235.525 GPRESSURE: 2079600 -3.6956 12.4462 233.105 -115.834 -375.789 37.1132 179.254 40.0313 -256.253 PRESSAVG: 2079600 36.465 9.44994 -5.58409 9.44992 -13.7177 57.8023 -5.58411 57.8023 -24.7101 GPRESSAVG: 2079600 35.0668 8.52751 -4.02358 10.5883 -12.6001 56.7045 -5.67578 58.2302 -24.6635 TIMING: 2079600 CPU: 6637.92, 0.00315659/step Wall: 6637.92, 0.00315659/step, 2.56069 hours remaining, 241.781250 MB of memory in use. ENERGY: 2079600 4046.4433 20708.5538 14481.6369 232.9425 -202982.5112 2401.2078 0.0000 0.0000 52359.7370 -108751.9900 300.9121 -161111.7270 -108386.6875 300.6397 -231.6645 -211.9124 762883.7214 -0.6543 -0.7323 PRESSURE: 2079800 281.752 -111.484 239.318 -111.484 273.428 -74.2934 239.318 -74.2934 -228.159 GPRESSURE: 2079800 355.38 -39.2802 239.623 -138.289 299.569 -136.782 166.534 -134.458 -242.848 PRESSAVG: 2079800 16.4138 -55.2532 14.8984 -55.2531 -6.03922 -43.6676 14.8985 -43.6678 29.4288 GPRESSAVG: 2079800 16.0919 -56.359 14.8364 -53.7659 -6.02692 -44.4202 14.5851 -43.6244 30.4545 TIMING: 2079800 CPU: 6638.56, 0.00317335/step Wall: 6638.56, 0.00317335/step, 2.57411 hours remaining, 241.781250 MB of memory in use. ENERGY: 2079800 4016.6555 20563.5774 14558.8075 235.0890 -203219.9764 2624.0665 0.0000 0.0000 52458.7351 -108763.0453 301.4811 -161221.7804 -108390.2805 300.9052 109.0069 137.3668 761954.6779 13.2678 13.5065 PRESSURE: 2080000 -62.237 -82.8626 93.1317 -82.8625 -442.358 -40.1037 93.1321 -40.1028 -244.777 GPRESSURE: 2080000 -105.419 -79.0536 125.267 -180.43 -255.245 -32.8973 225.253 -152.178 -294.278 PRESSAVG: 2080000 68.1688 -41.7752 -42.1355 -41.7752 -26.5428 33.3651 -42.1355 33.3651 -19.893 GPRESSAVG: 2080000 69.3138 -40.4733 -42.4961 -46.1541 -28.1615 33.8898 -43.2726 31.5792 -19.6602 TIMING: 2080000 CPU: 6639.19, 0.00316584/step Wall: 6639.19, 0.00316584/step, 2.56785 hours remaining, 241.781250 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: 2080000 4059.2603 20482.8909 14570.9606 241.4154 -202740.6957 2549.7868 0.0000 0.0000 52023.4456 -108812.9361 298.9795 -160836.3818 -108448.6868 300.4835 -249.7905 -218.3139 762475.9662 7.2444 7.1641 PRESSURE: 2080200 106.499 -58.8062 11.088 -58.8055 83.985 237.481 11.0877 237.481 41.7661 GPRESSURE: 2080200 142.431 30.6408 -28.941 20.3737 115.524 355.913 88.5869 184.603 66.7681 PRESSAVG: 2080200 10.7532 -40.9562 -36.7803 -40.9562 14.4795 31.0672 -36.7803 31.0672 4.54733 GPRESSAVG: 2080200 10.604 -41.4396 -35.7779 -39.5726 15.8346 31.4883 -36.848 29.4332 3.02992 TIMING: 2080200 CPU: 6639.83, 0.00317842/step Wall: 6639.83, 0.00317842/step, 2.57788 hours remaining, 241.781250 MB of memory in use. ENERGY: 2080200 4001.4638 20643.2794 14489.0374 238.0819 -202865.9489 2791.8655 0.0000 0.0000 51948.8137 -108753.4072 298.5505 -160702.2209 -108394.4926 300.0758 77.4166 108.2410 761744.3287 9.9267 9.8228 LDB: ============= START OF LOAD BALANCING ============== 6652.28 LDB: ============== END OF LOAD BALANCING =============== 6652.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6652.28 LDB: ============= START OF LOAD BALANCING ============== 6652.6 LDB: Largest compute 7074 load 0.035446 is 18.2% of average load 0.195276 LDB: Average compute 0.004408 is 2.3% of average load 0.195276 LDB: TIME 6652.61 LOAD: AVG 0.195276 MAX 0.214737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.445 MB LDB: TIME 6652.61 LOAD: AVG 0.195276 MAX 0.214737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: TIME 6652.61 LOAD: AVG 0.195276 MAX 0.214737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: ============== END OF LOAD BALANCING =============== 6652.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6652.61 PRESSURE: 2080400 88.662 70.9778 -212.878 70.9779 214.103 -88.3808 -212.878 -88.3792 80.1432 GPRESSURE: 2080400 225.654 -64.1855 -122.303 47.1851 201.777 -1.36416 -183.48 -54.6319 54.7474 PRESSAVG: 2080400 27.3116 23.0126 -6.42962 23.0125 -28.1731 -12.8465 -6.4296 -12.8464 29.8719 GPRESSAVG: 2080400 28.0413 24.3277 -8.43264 22.7865 -29.6563 -12.9115 -6.4602 -12.2994 30.7128 TIMING: 2080400 CPU: 6640.48, 0.00324064/step Wall: 6640.48, 0.00324064/step, 2.62816 hours remaining, 240.039062 MB of memory in use. ENERGY: 2080400 3993.4733 20532.9854 14488.3042 247.3606 -202826.4290 2520.3331 0.0000 0.0000 52249.6842 -108794.2882 300.2797 -161043.9723 -108439.7420 300.1484 127.6361 160.7260 760886.7553 9.6701 9.6993 PRESSURE: 2080600 173.697 -21.0629 -133.724 -21.0631 -98.7328 -114.417 -133.724 -114.416 -100.654 GPRESSURE: 2080600 156.342 -96.345 -192.441 -105.667 -50.668 -113.109 -118.098 -123.305 -36.6442 PRESSAVG: 2080600 7.59016 -18.7145 13.7506 -18.7146 -12.803 -22.6877 13.7506 -22.6877 3.45298 GPRESSAVG: 2080600 6.50827 -19.532 13.6782 -18.7419 -11.7484 -23.4496 14.503 -20.8247 3.66618 TIMING: 2080600 CPU: 6641.11, 0.00316223/step Wall: 6641.11, 0.00316223/step, 2.56439 hours remaining, 240.039062 MB of memory in use. ENERGY: 2080600 3994.8929 20590.6425 14453.0610 233.3409 -202913.1463 2553.4189 0.0000 0.0000 52214.2823 -108873.5079 300.0762 -161087.7902 -108507.2184 300.1885 -8.5634 23.0098 761452.4615 -0.5866 -0.5247 PRESSURE: 2080800 -24.9023 78.8882 147.21 78.8877 -70.9143 88.0085 147.209 88.0092 -124.649 GPRESSURE: 2080800 2.25152 144.806 189.103 -31.1681 -60.3531 70.8482 192.689 7.05298 -79.2466 PRESSAVG: 2080800 54.1448 18.7503 -0.672069 18.7503 12.9989 4.54143 -0.672071 4.54143 -10.4815 GPRESSAVG: 2080800 53.3668 18.5634 0.93685 19.8992 13.7359 2.4294 -2.47451 4.14882 -10.5986 TIMING: 2080800 CPU: 6641.74, 0.00316237/step Wall: 6641.74, 0.00316237/step, 2.56433 hours remaining, 240.039062 MB of memory in use. ENERGY: 2080800 3974.7894 20579.4520 14491.3929 245.6524 -203080.0698 2427.7289 0.0000 0.0000 52261.2558 -109099.7985 300.3462 -161361.0542 -108738.9665 300.5646 -73.4886 -45.7827 760557.5991 18.8874 18.8347 PRESSURE: 2081000 -25.8262 -161.227 -368.017 -161.227 220.317 -108.736 -368.016 -108.736 193.024 GPRESSURE: 2081000 127.4 -155.845 -289.605 -134.44 191.727 -33.3128 -292.227 19.5525 149.192 PRESSAVG: 2081000 -28.5229 -42.2682 -7.18183 -42.2682 37.177 -32.1257 -7.18183 -32.1258 12.1356 GPRESSAVG: 2081000 -26.9221 -43.2135 -8.91311 -44.0767 36.4973 -31.8045 -5.76351 -29.5642 12.1249 TIMING: 2081000 CPU: 6642.38, 0.00318099/step Wall: 6642.38, 0.00318099/step, 2.57926 hours remaining, 240.039062 MB of memory in use. ENERGY: 2081000 3986.2591 20491.4491 14461.0674 259.1539 -203640.0398 2907.7691 0.0000 0.0000 52320.1799 -109214.1614 300.6848 -161534.3413 -108844.2641 300.1933 129.1717 156.1063 759105.6084 6.9299 7.2333 PRESSURE: 2081200 -120.554 -86.3637 58.7474 -86.3635 -29.3715 100.67 58.7467 100.67 131.395 GPRESSURE: 2081200 -36.1142 -63.5923 100.4 -55.5118 -2.76468 69.4385 -36.8107 -30.337 108.937 PRESSAVG: 2081200 0.23807 17.6915 -19.3401 17.6916 -1.01457 22.9645 -19.3401 22.9645 -4.65066 GPRESSAVG: 2081200 -0.456243 17.9395 -18.3837 20.9836 -0.111392 25.1861 -19.2214 19.3488 -4.26306 TIMING: 2081200 CPU: 6643.01, 0.00317285/step Wall: 6643.01, 0.00317286/step, 2.57248 hours remaining, 240.039062 MB of memory in use. ENERGY: 2081200 4034.5709 20638.6048 14505.8935 241.5792 -203451.2464 2742.5567 0.0000 0.0000 52067.0086 -109221.0326 299.2298 -161288.0411 -108854.6169 299.9816 -6.1770 23.3527 759099.3573 -1.8091 -1.6102 PRESSURE: 2081400 -189.608 -33.8305 -41.4058 -33.8307 -294.285 191.686 -41.4052 191.684 -123.517 GPRESSURE: 2081400 -146.318 -37.0577 -56.2874 -54.8861 -175.933 136.912 5.47954 74.8533 -198.977 PRESSAVG: 2081400 11.1433 -45.2066 4.6148 -45.2065 8.16351 -22.1356 4.61479 -22.1356 28.1183 GPRESSAVG: 2081400 10.3634 -45.815 6.17176 -45.5386 8.45748 -23.5362 3.42292 -21.4827 28.6862 TIMING: 2081400 CPU: 6643.65, 0.00318141/step Wall: 6643.65, 0.00318141/step, 2.57924 hours remaining, 240.039062 MB of memory in use. ENERGY: 2081400 3975.1105 20564.3308 14382.4856 248.1951 -203032.3514 2177.8745 0.0000 0.0000 52256.0980 -109428.2569 300.3165 -161684.3549 -109067.9144 299.7015 -202.4700 -173.7427 760699.8277 15.8084 15.8357 PRESSURE: 2081600 -59.5831 -0.938976 -118.386 -0.938278 -51.1192 195.02 -118.386 195.02 -516.868 GPRESSURE: 2081600 -123.827 68.8071 -124.556 -32.9849 0.947035 139.229 -49.5563 146.791 -430.371 PRESSAVG: 2081600 21.6205 -68.2931 17.6902 -68.2931 -8.22658 -0.0738182 17.6902 -0.0738513 -3.48878 GPRESSAVG: 2081600 22.1233 -65.3596 17.4324 -69.0505 -8.74743 1.56241 17.965 -0.723791 -3.51319 TIMING: 2081600 CPU: 6644.28, 0.00316401/step Wall: 6644.28, 0.00316401/step, 2.56496 hours remaining, 240.039062 MB of memory in use. ENERGY: 2081600 3995.8464 20697.7059 14369.4341 239.1041 -203129.3271 2315.1319 0.0000 0.0000 51965.9967 -109546.1079 298.6493 -161512.1046 -109194.7485 299.3605 -209.1900 -184.4171 761055.8926 3.3017 3.2876 PRESSURE: 2081800 -391.526 138.019 -225.532 138.019 12.4914 30.9608 -225.533 30.961 -20.3272 GPRESSURE: 2081800 -236.46 261.365 -199.442 9.53016 15.0872 70.2049 -162.282 29.9425 -87.9293 PRESSAVG: 2081800 -6.89361 28.7315 16.1906 28.7315 -24.354 27.7415 16.1906 27.7415 10.3394 GPRESSAVG: 2081800 -5.23839 25.9448 15.5388 28.8502 -24.9584 26.8362 15.4122 28.9213 9.52921 TIMING: 2081800 CPU: 6644.91, 0.00316212/step Wall: 6644.91, 0.00316212/step, 2.56325 hours remaining, 240.039062 MB of memory in use. ENERGY: 2081800 4027.4533 20532.8955 14381.0073 233.4790 -202871.6452 2432.0347 0.0000 0.0000 51902.9578 -109361.8176 298.2870 -161264.7755 -108987.4718 299.1685 -133.1205 -103.1006 761393.0197 -6.9694 -6.8892 PRESSURE: 2082000 -194.527 -223.475 -216.204 -223.475 -81.5523 175.435 -216.204 175.435 -500.956 GPRESSURE: 2082000 -177.549 -139.065 -262.816 -163.343 -55.293 221.504 -63.0897 191.98 -448.543 PRESSAVG: 2082000 46.4356 18.3356 -46.3292 18.3356 14.0427 -35.5743 -46.3292 -35.5742 17.2358 GPRESSAVG: 2082000 45.1312 19.1963 -46.7494 16.6453 15.3803 -36.1802 -45.564 -34.5148 17.6649 TIMING: 2082000 CPU: 6645.54, 0.00315541/step Wall: 6645.54, 0.00315541/step, 2.55764 hours remaining, 240.039062 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: 2082000 3980.9970 20402.8146 14401.3130 251.6213 -203415.3199 2522.6753 0.0000 0.0000 52334.1755 -109521.7233 300.7652 -161855.8987 -109149.1464 299.4102 -259.0120 -227.1284 761268.5328 25.9047 26.0588 PRESSURE: 2082200 -247.593 -165.519 -79.7618 -165.52 -28.4331 -339.002 -79.7617 -339.002 161.994 GPRESSURE: 2082200 -166.248 -218.42 -27.0985 -149.565 -35.454 -358.969 -142.015 -305.879 189.776 PRESSAVG: 2082200 27.6923 4.85603 16.8543 4.85606 -13.8277 -27.9073 16.8544 -27.9073 -10.5211 GPRESSAVG: 2082200 28.1699 4.14156 17.9098 7.20374 -13.7762 -27.5673 16.3443 -29.92 -11.2796 TIMING: 2082200 CPU: 6646.17, 0.003144/step Wall: 6646.17, 0.003144/step, 2.54821 hours remaining, 240.039062 MB of memory in use. ENERGY: 2082200 3910.7734 20498.2317 14481.5791 252.8979 -203464.7090 2615.0177 0.0000 0.0000 51979.3311 -109726.8780 298.7259 -161706.2091 -109365.1103 299.1023 -38.0109 -3.9754 762000.8236 1.1145 1.0380 PRESSURE: 2082400 80.2109 249.933 47.7383 249.933 -3.18066 -133.859 47.739 -133.858 104.801 GPRESSURE: 2082400 191.22 231.357 -57.3907 152.528 -5.88661 -125.733 147.62 -14.9766 88.8913 PRESSAVG: 2082400 37.8417 -6.22842 -51.6018 -6.22844 -13.6712 -69.2842 -51.6018 -69.2842 -18.0268 GPRESSAVG: 2082400 38.7887 -6.40394 -52.6001 -7.11589 -14.797 -67.8135 -50.8971 -66.623 -17.2997 TIMING: 2082400 CPU: 6646.8, 0.00314906/step Wall: 6646.8, 0.00314906/step, 2.55214 hours remaining, 240.039062 MB of memory in use. ENERGY: 2082400 4016.1331 20502.2359 14430.9230 230.3638 -203139.4669 2455.9972 0.0000 0.0000 51947.2004 -109556.6134 298.5413 -161503.8138 -109192.1660 298.7771 60.6106 91.4081 761570.8639 2.0479 2.2307 PRESSURE: 2082600 -149.708 89.1988 -143.751 89.1994 141.185 -12.3477 -143.75 -12.348 -135.58 GPRESSURE: 2082600 -54.8524 8.84983 -61.398 -14.0959 64.0723 -80.6833 -42.9269 -130.55 -65.0581 PRESSAVG: 2082600 29.586 1.43752 -14.6859 1.43752 25.9381 -16.1277 -14.6859 -16.1277 -19.9404 GPRESSAVG: 2082600 28.3307 1.75904 -14.2461 2.74844 26.6626 -17.6101 -14.8739 -18.8554 -19.4215 TIMING: 2082600 CPU: 6647.43, 0.00314644/step Wall: 6647.43, 0.00314644/step, 2.54984 hours remaining, 240.039062 MB of memory in use. ENERGY: 2082600 4031.7754 20547.4799 14389.7976 240.7568 -203441.2157 2545.6698 0.0000 0.0000 52463.6489 -109222.0872 301.5093 -161685.7362 -108859.7618 299.9269 -48.0342 -18.6127 762567.4744 11.8612 11.8573 PRESSURE: 2082800 -19.0443 -116.844 -108.58 -116.844 -205.824 163.089 -108.58 163.089 -118.711 GPRESSURE: 2082800 25.7929 -196.221 13.8392 -93.9911 -82.3582 130.734 -4.34618 163.253 -183.447 PRESSAVG: 2082800 -49.6345 -11.8363 -79.8639 -11.8362 48.9401 2.97475 -79.8639 2.97478 3.42679 GPRESSAVG: 2082800 -49.2737 -12.8075 -78.9917 -11.3699 50.0339 2.84855 -79.5583 3.29724 2.83493 TIMING: 2082800 CPU: 6648.06, 0.00315416/step Wall: 6648.06, 0.00315416/step, 2.55592 hours remaining, 240.039062 MB of memory in use. ENERGY: 2082800 4001.2940 20410.8230 14443.6289 254.1694 -203531.3066 2919.2487 0.0000 0.0000 52330.2774 -109171.8651 300.7428 -161502.1425 -108807.4513 299.6598 -114.5264 -80.0041 762268.7400 0.9108 1.1984 PRESSURE: 2083000 88.503 -143.254 55.8025 -143.254 188.309 155.588 55.8019 155.588 295.782 GPRESSURE: 2083000 32.0913 -128.142 -48.891 -119.024 259.092 196.285 141.979 105.226 355.514 PRESSAVG: 2083000 -26.0483 -32.8757 29.9449 -32.8757 -3.61846 -34.014 29.945 -34.0141 -2.72075 GPRESSAVG: 2083000 -27.4811 -31.5263 27.1505 -32.4619 -3.01735 -31.846 28.6905 -36.2944 -2.53673 TIMING: 2083000 CPU: 6648.69, 0.00315615/step Wall: 6648.69, 0.00315615/step, 2.55736 hours remaining, 240.039062 MB of memory in use. ENERGY: 2083000 3898.9015 20493.7720 14476.6542 228.5398 -203403.7763 2721.9967 0.0000 0.0000 52287.0591 -109296.8531 300.4944 -161583.9122 -108930.3008 299.5684 190.8644 215.5655 762156.6466 -10.7958 -11.0117 PRESSURE: 2083200 37.882 -139.487 -18.8582 -139.487 8.82081 -215.361 -18.8579 -215.36 96.0148 GPRESSURE: 2083200 147.102 -66.813 97.596 34.3459 9.88541 -248.038 108.42 -78.1502 62.4069 PRESSAVG: 2083200 -27.2714 -75.7923 2.44428 -75.7923 -18.608 -13.856 2.44428 -13.856 -19.413 GPRESSAVG: 2083200 -26.2924 -76.0799 4.32693 -75.3433 -19.7729 -14.0605 5.49692 -11.2222 -19.5975 TIMING: 2083200 CPU: 6649.33, 0.00315985/step Wall: 6649.33, 0.00315985/step, 2.56018 hours remaining, 240.039062 MB of memory in use. ENERGY: 2083200 3996.9090 20429.9832 14387.9339 263.2666 -203766.1991 2897.8916 0.0000 0.0000 52339.9294 -109450.2853 300.7983 -161790.2148 -109092.5754 299.3847 47.5725 73.1314 761410.9247 -21.7641 -21.8876 PRESSURE: 2083400 -13.0331 -353.288 172.456 -353.288 201.192 116.244 172.455 116.243 361.511 GPRESSURE: 2083400 65.3742 -380.366 194.719 -347.535 277.022 88.0034 173.396 131.595 312.193 PRESSAVG: 2083400 39.9578 -68.6585 15.0064 -68.6585 -60.9014 -13.5452 15.0063 -13.5452 20.9376 GPRESSAVG: 2083400 40.621 -67.9752 14.1759 -69.5292 -61.8691 -14.1795 14.6952 -15.1774 20.7458 TIMING: 2083400 CPU: 6649.96, 0.00315475/step Wall: 6649.96, 0.00315475/step, 2.55587 hours remaining, 240.039062 MB of memory in use. ENERGY: 2083400 3932.1541 20496.3353 14433.0675 260.5723 -203459.2104 2733.5789 0.0000 0.0000 52183.1793 -109420.3231 299.8974 -161603.5024 -109057.2144 299.7035 183.2233 218.1964 761140.8704 -0.0020 -0.1674 PRESSURE: 2083600 -82.9605 14.6075 89.789 14.6079 -184.492 81.6854 89.7896 81.6863 28.7725 GPRESSURE: 2083600 -169.666 -55.1979 20.3005 0.110409 -63.5641 3.36929 144.904 117.511 65.638 PRESSAVG: 2083600 23.0006 -72.4158 15.2101 -72.4158 -8.0141 38.8445 15.21 38.8444 0.328626 GPRESSAVG: 2083600 21.4788 -71.4837 14.564 -74.4906 -8.02021 40.4386 17.3467 38.7156 1.61781 TIMING: 2083600 CPU: 6650.59, 0.00316529/step Wall: 6650.59, 0.00316529/step, 2.56424 hours remaining, 240.039062 MB of memory in use. ENERGY: 2083600 3982.2284 20659.8740 14423.8922 256.9441 -203444.0646 2694.0361 0.0000 0.0000 52019.0118 -109408.0781 298.9540 -161427.0899 -109044.3821 299.5822 -79.5601 -55.8639 762554.3535 5.1050 5.0255 PRESSURE: 2083800 -74.7649 -72.4831 -49.4781 -72.483 199.498 -361.539 -49.4776 -361.539 -103.16 GPRESSURE: 2083800 -66.0287 -158.373 26.3553 -142.533 289.966 -294.474 -40.2517 -417.711 -123.831 PRESSAVG: 2083800 3.28033 -50.757 33.5785 -50.757 15.9939 46.4389 33.5785 46.4389 14.6942 GPRESSAVG: 2083800 4.56218 -52.3153 34.4403 -49.7079 15.8935 44.8206 29.7629 46.2242 13.5083 TIMING: 2083800 CPU: 6651.22, 0.00315534/step Wall: 6651.22, 0.00315534/step, 2.556 hours remaining, 240.039062 MB of memory in use. ENERGY: 2083800 3980.6433 20546.8727 14325.7477 260.9832 -203604.1808 2857.6642 0.0000 0.0000 52211.4712 -109420.7983 300.0600 -161632.2696 -109053.0618 299.8379 7.1911 33.3689 762613.8208 11.3228 11.3213 PRESSURE: 2084000 -351.527 -91.3308 -94.5924 -91.3307 -95.4297 7.73585 -94.5929 7.7363 327.801 GPRESSURE: 2084000 -272.372 -96.4985 -46.9695 -11.4524 -129.73 52.8102 25.683 -22.2096 357.858 PRESSAVG: 2084000 -8.49152 -62.749 4.45473 -62.7491 10.1897 3.97673 4.45466 3.97668 10.8223 GPRESSAVG: 2084000 -8.56875 -63.6393 3.29234 -60.7616 9.53871 3.97063 6.28065 3.95098 11.0716 TIMING: 2084000 CPU: 6651.86, 0.00317723/step Wall: 6651.86, 0.00317723/step, 2.57356 hours remaining, 240.039062 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: 2084000 3967.0675 20603.3799 14423.5740 248.6066 -203546.4845 2727.9472 0.0000 0.0000 52047.9569 -109527.9524 299.1203 -161575.9094 -109163.4505 299.4715 -39.7185 -14.7480 762098.9010 4.1735 4.0139 PRESSURE: 2084200 -167.864 24.7855 172.906 24.785 -68.2719 16.9111 172.906 16.9111 11.9577 GPRESSURE: 2084200 -74.3869 -11.6398 88.6821 38.7653 17.5527 -8.31874 115.756 130.971 -77.4759 PRESSAVG: 2084200 -15.5729 -79.309 -25.3633 -79.309 2.08965 16.378 -25.3633 16.378 8.52392 GPRESSAVG: 2084200 -14.1463 -78.4094 -24.8043 -81.3482 2.01606 15.6833 -26.0594 18.5229 7.55848 TIMING: 2084200 CPU: 6652.49, 0.00315076/step Wall: 6652.49, 0.00315076/step, 2.55194 hours remaining, 240.039062 MB of memory in use. ENERGY: 2084200 3979.4755 20413.3895 14433.6820 244.5008 -203185.8530 2520.5777 0.0000 0.0000 52116.7351 -109477.4923 299.5156 -161594.2274 -109110.1984 298.9463 -74.7262 -44.7700 762516.8489 -1.6531 -1.5239 LDB: ============= START OF LOAD BALANCING ============== 6664.94 LDB: ============== END OF LOAD BALANCING =============== 6664.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6664.94 LDB: ============= START OF LOAD BALANCING ============== 6665.26 LDB: Largest compute 7073 load 0.035749 is 18.3% of average load 0.195182 LDB: Average compute 0.004395 is 2.3% of average load 0.195182 LDB: TIME 6665.26 LOAD: AVG 0.195182 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 6665.26 LOAD: AVG 0.195182 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 6665.26 LOAD: AVG 0.195182 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 6665.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6665.27 PRESSURE: 2084400 266.142 -292.462 71.8884 -292.462 130.252 -67.772 71.8887 -67.7725 70.3989 GPRESSURE: 2084400 342.889 -115.296 51.2898 -351.735 103.254 -68.9517 173.436 -36.5658 74.3124 PRESSAVG: 2084400 1.9052 -34.3152 -49.5329 -34.3151 -30.166 15.6955 -49.5328 15.6955 19.8448 GPRESSAVG: 2084400 0.475433 -32.9802 -49.3499 -35.7075 -29.6033 17.3956 -49.3894 14.3382 20.8812 TIMING: 2084400 CPU: 6653.14, 0.00324084/step Wall: 6653.14, 0.00324084/step, 2.62472 hours remaining, 242.089844 MB of memory in use. ENERGY: 2084400 3978.9944 20567.1504 14509.4825 251.8311 -203247.3166 2769.3579 0.0000 0.0000 51750.1798 -109420.3205 297.4090 -161170.5003 -109064.0311 298.8207 155.5976 173.4850 761199.3143 -2.8054 -2.7489 PRESSURE: 2084600 -119.372 -109.23 -59.1873 -109.23 -247.26 -41.7366 -59.1875 -41.737 50.9949 GPRESSURE: 2084600 -42.8138 -103.348 -64.8079 16.9189 -318.015 -95.4594 -105.947 -71.7309 120.116 PRESSAVG: 2084600 -5.82501 -9.2315 -42.9655 -9.23148 4.20446 24.6118 -42.9656 24.6118 -7.564 GPRESSAVG: 2084600 -5.48264 -10.7891 -42.7448 -6.22069 3.98884 23.1658 -43.3737 25.6357 -7.86246 TIMING: 2084600 CPU: 6653.77, 0.0031559/step Wall: 6653.77, 0.0031559/step, 2.55576 hours remaining, 242.160156 MB of memory in use. ENERGY: 2084600 3994.2413 20612.4101 14461.5234 249.0324 -203452.3370 2559.0715 0.0000 0.0000 51944.8786 -109631.1798 298.5279 -161576.0583 -109272.0195 298.8739 -105.2121 -80.2374 762180.7927 -3.0615 -3.1188 PRESSURE: 2084800 57.5363 -65.8738 -105.831 -65.8736 48.6286 -68.3762 -105.832 -68.377 239.156 GPRESSURE: 2084800 25.9235 -45.982 -8.19985 -231.42 66.998 -22.2341 -122.774 91.1889 324.192 PRESSAVG: 2084800 -15.8561 -28.6761 -12.2922 -28.6761 -14.2219 -11.5094 -12.2922 -11.5094 11.0367 GPRESSAVG: 2084800 -18.5386 -26.0326 -10.409 -31.9829 -12.6516 -9.74389 -13.2055 -11.3481 12.3228 TIMING: 2084800 CPU: 6654.4, 0.00315125/step Wall: 6654.4, 0.00315125/step, 2.55181 hours remaining, 242.160156 MB of memory in use. ENERGY: 2084800 3936.5807 20584.0185 14482.8502 261.3597 -203798.9992 2585.4511 0.0000 0.0000 52398.5949 -109550.1441 301.1354 -161948.7390 -109186.7027 298.7171 115.1071 139.0378 761648.9598 -6.3471 -6.2891 PRESSURE: 2085000 -224.711 183.561 -67.4444 183.561 1.37335 60.3135 -67.4443 60.3143 660.975 GPRESSURE: 2085000 -174.611 156.304 -8.5701 17.5291 93.4931 71.6592 -192.627 107.168 602.861 PRESSAVG: 2085000 -48.1023 0.0878113 -34.6246 0.0878726 23.3728 33.4246 -34.6246 33.4247 -2.32682 GPRESSAVG: 2085000 -45.6482 -4.31061 -37.0621 3.18479 23.0223 31.8911 -31.9911 32.6888 -3.96791 TIMING: 2085000 CPU: 6655.03, 0.00314586/step Wall: 6655.03, 0.00314586/step, 2.54727 hours remaining, 242.160156 MB of memory in use. ENERGY: 2085000 3967.0405 20417.2596 14439.9608 251.3907 -203868.2301 2918.7091 0.0000 0.0000 52177.8483 -109696.0211 299.8668 -161873.8693 -109328.4531 299.1623 145.8792 173.9144 762586.8004 -9.0188 -8.8646 PRESSURE: 2085200 -71.1051 50.7779 80.062 50.779 -1.56107 -211.836 80.0613 -211.835 -58.9268 GPRESSURE: 2085200 -151.047 -59.1191 11.8803 171.563 207.235 -261.472 46.2728 -117.298 -104.987 PRESSAVG: 2085200 -37.8629 -32.5062 -54.2483 -32.5062 59.0571 5.52518 -54.2484 5.5252 26.7886 GPRESSAVG: 2085200 -38.8149 -29.7279 -55.1003 -32.8385 60.2222 5.27575 -57.1072 6.63539 26.4864 TIMING: 2085200 CPU: 6655.66, 0.00316848/step Wall: 6655.66, 0.00316848/step, 2.56541 hours remaining, 242.160156 MB of memory in use. ENERGY: 2085200 3926.6995 20540.2484 14389.4504 261.7023 -203719.3739 2748.4783 0.0000 0.0000 51961.9747 -109890.8202 298.6262 -161852.7949 -109532.5505 298.6813 -43.8643 -16.2663 761135.4148 15.9943 15.9646 PRESSURE: 2085400 71.9056 17.776 -176.488 17.7762 170.082 269.115 -176.488 269.115 645.161 GPRESSURE: 2085400 86.6262 97.0852 -97.9369 60.6713 224.243 273.071 -112.338 228.348 672.933 PRESSAVG: 2085400 -121.974 -30.8476 -6.50298 -30.8476 100.687 12.809 -6.50298 12.8089 23.1883 GPRESSAVG: 2085400 -121.969 -32.2509 -4.88979 -30.2861 100.158 12.8911 -4.66816 12.253 23.8254 TIMING: 2085400 CPU: 6656.29, 0.00314345/step Wall: 6656.29, 0.00314345/step, 2.54497 hours remaining, 242.160156 MB of memory in use. ENERGY: 2085400 3971.0949 20572.6913 14400.5906 247.9270 -203837.2804 2961.6276 0.0000 0.0000 52091.1531 -109592.1958 299.3686 -161683.3489 -109230.2233 298.9321 295.7162 327.9340 760803.7032 0.6336 0.6715 PRESSURE: 2085600 -289.77 246.155 89.223 246.156 -344.347 219.801 89.2229 219.801 -118.08 GPRESSURE: 2085600 -249.247 195.982 84.903 225.417 -272.092 244.037 -1.25805 104.782 -144.852 PRESSAVG: 2085600 -6.05256 -28.1641 -30.6335 -28.1641 -21.2737 31.1522 -30.6335 31.1521 -4.63159 GPRESSAVG: 2085600 -5.96674 -28.7349 -31.0117 -29.0068 -22.7939 31.3967 -31.0591 29.4349 -3.34455 TIMING: 2085600 CPU: 6656.92, 0.00314047/step Wall: 6656.92, 0.00314047/step, 2.54238 hours remaining, 242.160156 MB of memory in use. ENERGY: 2085600 3994.6771 20571.9545 14440.5530 254.6915 -203700.8618 2508.0611 0.0000 0.0000 52323.9303 -109606.9944 300.7063 -161930.9247 -109233.8359 299.4881 -250.7325 -222.0635 759736.2207 -10.6526 -10.7017 PRESSURE: 2085800 -90.4358 -83.3628 -92.5282 -83.3628 50.3277 -95.7789 -92.5278 -95.7791 -334.017 GPRESSURE: 2085800 -45.4299 -70.0571 -70.9551 -20.6001 93.7379 -56.7495 -198.414 -173.544 -330.565 PRESSAVG: 2085800 14.5769 -24.2921 -46.7168 -24.2921 17.5851 20.7862 -46.7168 20.7861 16.48 GPRESSAVG: 2085800 15.1882 -22.0934 -48.2086 -25.302 18.7415 20.8626 -45.817 21.0257 14.2948 TIMING: 2085800 CPU: 6657.54, 0.00313913/step Wall: 6657.54, 0.00313913/step, 2.54113 hours remaining, 242.160156 MB of memory in use. ENERGY: 2085800 4059.1256 20622.3051 14567.7757 244.7041 -203280.5932 2469.9174 0.0000 0.0000 52021.3438 -109295.4214 298.9674 -161316.7652 -108929.3936 299.8381 -124.7085 -94.0858 761322.3246 16.2140 16.0749 PRESSURE: 2086000 211.834 -152.45 -82.5393 -152.45 -289.485 -117.916 -82.5396 -117.916 -12.3051 GPRESSURE: 2086000 229.384 -187.972 -61.366 -143.78 -275.299 -105.1 -71.6981 -40.1161 22.55 PRESSAVG: 2086000 -57.5875 -48.7787 8.26387 -48.7787 44.8883 -9.26203 8.26389 -9.262 3.23201 GPRESSAVG: 2086000 -56.8014 -51.8569 9.41276 -48.6956 43.6241 -9.01426 5.7009 -9.45917 3.61829 TIMING: 2086000 CPU: 6658.18, 0.00316142/step Wall: 6658.18, 0.00316142/step, 2.55899 hours remaining, 242.160156 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: 2086000 4023.6932 20746.3794 14548.8195 249.8201 -203519.1851 2667.1306 0.0000 0.0000 51890.3151 -109393.0273 298.2144 -161283.3424 -109037.3132 299.8023 -29.9851 -7.7884 760387.9805 -3.1557 -3.1863 PRESSURE: 2086200 -464.095 -96.4481 -29.8352 -96.4475 -71.2246 -10.6784 -29.8357 -10.6788 -382.63 GPRESSURE: 2086200 -451.104 24.4167 -11.0106 -30.2179 -123.632 8.18542 -68.0667 46.6285 -282.576 PRESSAVG: 2086200 -17.5682 -25.4769 28.4627 -25.4769 -12.9695 34.866 28.4626 34.8661 -0.381539 GPRESSAVG: 2086200 -18.3477 -25.2807 27.9784 -25.9107 -12.0849 34.1802 30.6834 35.2354 -1.02609 TIMING: 2086200 CPU: 6658.8, 0.00312871/step Wall: 6658.8, 0.00312871/step, 2.53234 hours remaining, 242.160156 MB of memory in use. ENERGY: 2086200 4069.7853 20652.6025 14459.8778 257.8538 -203732.1456 2735.6695 0.0000 0.0000 52174.2570 -109382.0998 299.8462 -161556.3568 -109014.6402 299.3004 -305.9830 -285.7707 761378.9400 -10.3064 -10.4862 PRESSURE: 2086400 -186.191 -20.8244 28.5005 -20.8245 175.187 -33.474 28.5001 -33.4748 -0.17763 GPRESSURE: 2086400 -45.2025 -158.545 70.4301 -68.3064 128.23 -77.4253 22.546 -1.59666 -12.2205 PRESSAVG: 2086400 -13.7559 -30.427 45.8137 -30.427 34.721 4.95194 45.8137 4.95193 -16.996 GPRESSAVG: 2086400 -14.4276 -29.426 44.8269 -32.1588 35.3268 4.88367 45.9914 6.09342 -16.7184 TIMING: 2086400 CPU: 6659.43, 0.00313595/step Wall: 6659.43, 0.00313595/step, 2.53803 hours remaining, 242.160156 MB of memory in use. ENERGY: 2086400 4015.2716 20627.4133 14466.6314 229.2298 -203562.7452 2834.1400 0.0000 0.0000 52031.5862 -109358.4730 299.0262 -161390.0592 -108991.3763 300.0383 -3.7274 23.6023 761225.2541 1.3230 1.3936 PRESSURE: 2086600 -79.643 -73.9411 18.7981 -73.9402 -240.082 11.7697 18.7972 11.769 -415.353 GPRESSURE: 2086600 -46.2484 -52.086 9.06936 -188.327 -141.513 -9.087 1.39249 -79.8507 -441.677 PRESSAVG: 2086600 18.1131 11.5565 -36.2778 11.5565 1.69244 37.213 -36.2778 37.2129 26.4497 GPRESSAVG: 2086600 18.9039 10.9467 -34.349 12.5115 1.35971 38.5011 -37.8635 34.5189 25.6926 TIMING: 2086600 CPU: 6660.06, 0.00313826/step Wall: 6660.06, 0.00313826/step, 2.53973 hours remaining, 242.160156 MB of memory in use. ENERGY: 2086600 4053.3988 20553.2116 14462.4976 251.9585 -203402.0526 2756.6592 0.0000 0.0000 52118.5638 -109205.7630 299.5261 -161324.3268 -108846.6951 299.6252 -245.0258 -209.8131 761880.2166 15.4184 15.3187 PRESSURE: 2086800 63.6982 -141.628 59.1243 -141.629 -0.247188 126.317 59.1245 126.318 -234.449 GPRESSURE: 2086800 118.265 -179.309 -15.7267 -126.056 35.425 134.57 128.665 213.228 -233.914 PRESSAVG: 2086800 -22.9325 -55.5505 11.8851 -55.5505 45.9755 10.1881 11.8851 10.1881 -8.31728 GPRESSAVG: 2086800 -22.5021 -54.0168 9.53656 -54.6522 45.0813 8.32466 14.0099 9.90262 -7.78248 TIMING: 2086800 CPU: 6660.69, 0.00315259/step Wall: 6660.69, 0.00315259/step, 2.55115 hours remaining, 242.160156 MB of memory in use. ENERGY: 2086800 4042.1498 20675.2308 14379.5297 232.1615 -203267.2567 2571.6757 0.0000 0.0000 52391.8039 -108974.7053 301.0964 -161366.5092 -108614.8316 299.8236 -56.9992 -26.7414 760785.0055 4.9086 4.9322 PRESSURE: 2087000 -188.76 -97.8865 -245.878 -97.8859 19.5571 -152.651 -245.877 -152.651 112.068 GPRESSURE: 2087000 -190.452 -104.941 -207.456 -124.093 71.0271 -143.496 -176.777 -51.0721 127.985 PRESSAVG: 2087000 -69.5096 -50.8833 10.8499 -50.8833 20.7251 47.8218 10.8499 47.8217 22.8919 GPRESSAVG: 2087000 -70.3262 -52.5244 13.7976 -52.4805 20.1884 47.5788 10.5571 49.5928 24.1193 TIMING: 2087000 CPU: 6661.32, 0.00315317/step Wall: 6661.32, 0.00315317/step, 2.55144 hours remaining, 242.160156 MB of memory in use. ENERGY: 2087000 4038.2618 20375.8459 14456.5243 248.5909 -202896.9298 2568.2896 0.0000 0.0000 52206.8539 -109002.5634 300.0335 -161209.4173 -108631.4645 300.3699 -19.0449 2.8532 762806.9531 -8.6309 -8.6728 PRESSURE: 2087200 54.316 -43.0981 18.6777 -43.0984 -290.256 107.742 18.6775 107.74 -310.742 GPRESSURE: 2087200 115.6 -3.13469 28.7808 -19.3006 -241.535 106.502 -56.5581 130.745 -318.234 PRESSAVG: 2087200 -31.489 -77.1385 11.0485 -77.1385 70.8468 -12.2035 11.0484 -12.2035 -1.99032 GPRESSAVG: 2087200 -31.5007 -78.5014 9.95894 -74.8407 70.9616 -11.884 10.9017 -11.5099 -1.91888 TIMING: 2087200 CPU: 6661.95, 0.00317713/step Wall: 6661.95, 0.00317713/step, 2.57065 hours remaining, 242.160156 MB of memory in use. ENERGY: 2087200 4058.7487 20456.2098 14433.1284 251.0857 -203298.1618 2691.5105 0.0000 0.0000 52387.3265 -109020.1522 301.0707 -161407.4787 -108653.6549 300.1839 -182.2273 -148.0560 760787.4365 12.4558 12.5140 PRESSURE: 2087400 -32.757 68.0049 -181.52 68.0048 82.295 169.344 -181.522 169.343 349.106 GPRESSURE: 2087400 62.291 29.726 -130.618 16.2132 148.386 62.716 -165.445 168.744 300.118 PRESSAVG: 2087400 -41.1165 -5.64824 25.1516 -5.64823 14.6833 70.1438 25.1516 70.1438 -8.64412 GPRESSAVG: 2087400 -41.1958 -3.94953 24.8014 -5.81595 16.1099 71.0144 24.6998 67.8001 -9.52276 TIMING: 2087400 CPU: 6662.59, 0.00316822/step Wall: 6662.59, 0.00316822/step, 2.56326 hours remaining, 242.160156 MB of memory in use. ENERGY: 2087400 4064.8923 20464.6783 14495.5831 255.0115 -203526.7060 2649.7501 0.0000 0.0000 52161.5987 -109435.1920 299.7734 -161596.7906 -109074.9373 299.8081 132.8815 170.2650 759342.2306 -11.6925 -11.5362 PRESSURE: 2087600 48.6608 155.658 2.15267 155.657 106.38 233.145 2.15279 233.146 -121.922 GPRESSURE: 2087600 -34.628 184.144 38.7973 117.378 212.172 221.147 -15.7958 174.126 -66.6491 PRESSAVG: 2087600 -26.0045 -60.6093 53.3478 -60.6093 20.4075 -0.261586 53.3479 -0.261493 15.0888 GPRESSAVG: 2087600 -25.663 -60.068 54.9364 -59.6192 19.7703 0.0153134 54.2855 2.32585 15.1214 TIMING: 2087600 CPU: 6663.22, 0.00316177/step Wall: 6663.22, 0.00316177/step, 2.55787 hours remaining, 242.160156 MB of memory in use. ENERGY: 2087600 3961.5684 20704.4666 14541.2270 267.1332 -203608.2928 2767.3589 0.0000 0.0000 52116.8462 -109249.6924 299.5162 -161366.5387 -108891.1982 299.6672 11.0396 36.9649 760586.6568 3.1639 3.0762 PRESSURE: 2087800 -319.377 -117.857 -14.8486 -117.857 136.974 -100.2 -14.8467 -100.2 -59.9702 GPRESSURE: 2087800 -160.295 -91.519 -57.9409 -45.3863 128.686 -48.1069 -24.5164 -83.0715 -118.923 PRESSAVG: 2087800 -3.37864 3.02216 10.1813 3.02213 30.0244 0.585165 10.1813 0.585189 -5.00758 GPRESSAVG: 2087800 -3.63048 3.50625 9.3944 1.62705 29.2984 1.83743 8.71365 -1.22961 -4.10153 TIMING: 2087800 CPU: 6663.85, 0.00316343/step Wall: 6663.85, 0.00316343/step, 2.55904 hours remaining, 242.160156 MB of memory in use. ENERGY: 2087800 3886.2889 20667.6977 14531.0319 252.8022 -203318.5308 2419.9756 0.0000 0.0000 52115.0834 -109445.6510 299.5061 -161560.7344 -109086.1520 299.3193 -80.7911 -50.1772 760236.4163 7.2127 7.1888 PRESSURE: 2088000 -154.293 55.7645 -155.368 55.7643 88.5423 4.97874 -155.368 4.9778 -9.64408 GPRESSURE: 2088000 -122.224 96.4612 -206.651 74.6354 124.446 -46.4336 -178.617 200.375 -5.2154 PRESSAVG: 2088000 -10.7252 7.99977 17.1709 7.99975 -6.74238 -24.8312 17.1708 -24.8312 1.9757 GPRESSAVG: 2088000 -11.0541 8.16657 16.3353 8.11976 -5.5121 -27.7673 16.3885 -23.5492 1.21295 TIMING: 2088000 CPU: 6664.49, 0.00316336/step Wall: 6664.49, 0.00316336/step, 2.55881 hours remaining, 242.160156 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: 2088000 3982.7294 20453.4921 14482.6387 251.9021 -203230.1294 2377.9860 0.0000 0.0000 52177.6203 -109503.7608 299.8655 -161681.3810 -109130.2615 299.4459 -25.1317 -0.9980 763428.8541 -5.1640 -5.1178 PRESSURE: 2088200 -104.166 -348.468 -133.116 -348.468 -9.30908 -3.21719 -133.116 -3.21675 -385.179 GPRESSURE: 2088200 -65.9058 -285.441 -195.34 -222.388 24.8079 -142.675 -84.1163 15.5356 -406.131 PRESSAVG: 2088200 -36.9622 -41.1972 14.7156 -41.1971 69.3403 47.4167 14.7155 47.4167 -12.9838 GPRESSAVG: 2088200 -37.6587 -42.1022 14.2262 -40.1167 69.1207 47.4121 15.1479 47.887 -13.0843 TIMING: 2088200 CPU: 6665.12, 0.00316609/step Wall: 6665.12, 0.0031661/step, 2.56084 hours remaining, 242.160156 MB of memory in use. ENERGY: 2088200 3988.8698 20503.0510 14514.5141 243.4088 -203519.0746 2602.4202 0.0000 0.0000 51973.9499 -109692.8608 298.6950 -161666.8107 -109327.4081 298.6846 -166.2180 -149.0763 762550.5889 6.4648 6.1259 LDB: ============= START OF LOAD BALANCING ============== 6677.57 LDB: ============== END OF LOAD BALANCING =============== 6677.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6677.57 LDB: ============= START OF LOAD BALANCING ============== 6677.89 LDB: Largest compute 7070 load 0.037124 is 19.0% of average load 0.195182 LDB: Average compute 0.004398 is 2.3% of average load 0.195182 LDB: TIME 6677.89 LOAD: AVG 0.195182 MAX 0.214739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 6677.89 LOAD: AVG 0.195182 MAX 0.214739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 6677.89 LOAD: AVG 0.195182 MAX 0.214739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 6677.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6677.9 PRESSURE: 2088400 -84.2681 -15.4487 -125.324 -15.449 89.0884 184.934 -125.324 184.934 208.245 GPRESSURE: 2088400 -131.401 -25.189 -70.9889 23.7719 137.97 177.867 -204.898 199.795 284.859 PRESSAVG: 2088400 -67.4879 -41.3475 -1.25044 -41.3475 55.762 77.7671 -1.25037 77.7672 -1.76342 GPRESSAVG: 2088400 -66.2319 -41.1797 0.971816 -42.1769 55.1064 78.689 -0.99914 75.6636 -2.11204 TIMING: 2088400 CPU: 6665.77, 0.00323493/step Wall: 6665.77, 0.00323493/step, 2.61634 hours remaining, 240.859375 MB of memory in use. ENERGY: 2088400 3853.5179 20756.9573 14427.3693 247.8056 -203663.5580 2697.3639 0.0000 0.0000 52011.3001 -109669.2439 298.9097 -161680.5439 -109309.7967 298.7981 71.0216 97.1425 760609.9937 -4.4965 -4.4125 PRESSURE: 2088600 -639.228 -36.7395 53.8716 -36.7407 -187.996 16.5272 53.8709 16.5274 119.148 GPRESSURE: 2088600 -544.886 -123.839 -37.5205 45.4921 -217.033 50.5465 89.9836 61.7342 99.5001 PRESSAVG: 2088600 37.7813 -80.8668 4.05467 -80.8669 5.14741 20.3409 4.05464 20.341 -13.2875 GPRESSAVG: 2088600 36.7799 -83.4714 2.57143 -77.9137 4.62944 20.9216 6.33086 19.9625 -12.0519 TIMING: 2088600 CPU: 6666.4, 0.00315148/step Wall: 6666.4, 0.00315148/step, 2.54867 hours remaining, 241.062500 MB of memory in use. ENERGY: 2088600 3957.0032 20585.3154 14476.6410 241.8233 -203294.6635 2406.6157 0.0000 0.0000 52060.6846 -109566.5803 299.1935 -161627.2649 -109202.9580 298.7726 -236.0254 -220.8063 760936.9718 9.8804 9.7858 PRESSURE: 2088800 -343.061 -29.3461 1.03023 -29.3463 262.764 23.205 1.03078 23.2055 220.063 GPRESSURE: 2088800 -207.051 57.7555 17.3113 -14.9145 136.555 -18.7979 -100.326 38.1244 257.557 PRESSAVG: 2088800 -45.4305 -8.16852 -4.42836 -8.16846 31.3722 48.1521 -4.42836 48.152 16.7662 GPRESSAVG: 2088800 -44.0263 -4.25108 -4.16885 -9.65976 30.2782 48.073 -6.73846 50.486 16.7848 TIMING: 2088800 CPU: 6667.02, 0.00312853/step Wall: 6667.02, 0.00312853/step, 2.52994 hours remaining, 241.062500 MB of memory in use. ENERGY: 2088800 3971.5911 20508.8807 14564.0243 258.1933 -203677.5966 2721.8745 0.0000 0.0000 52074.8555 -109578.1772 299.2749 -161653.0327 -109216.5368 298.8610 46.5886 62.3538 761889.5487 0.9026 1.0122 PRESSURE: 2089000 -424.391 -33.0444 127.297 -33.0443 -241.969 57.1959 127.296 57.1954 -219.418 GPRESSURE: 2089000 -277.879 39.5907 110.952 29.5385 -182.26 163.164 63.4069 -79.9762 -312.282 PRESSAVG: 2089000 10.4469 -6.64318 -16.2313 -6.64318 -44.2755 -36.9289 -16.2312 -36.9289 16.82 GPRESSAVG: 2089000 9.95013 -9.76567 -16.4266 -6.16332 -42.4553 -36.6861 -16.7577 -38.7825 15.7944 TIMING: 2089000 CPU: 6667.65, 0.00313859/step Wall: 6667.65, 0.00313859/step, 2.5379 hours remaining, 241.062500 MB of memory in use. ENERGY: 2089000 4054.1531 20276.5685 14414.5525 244.0311 -203369.3970 2657.2801 0.0000 0.0000 51975.6196 -109747.1920 298.7046 -161722.8116 -109391.9769 298.6325 -295.2595 -257.4739 760737.5036 -5.6696 -5.5702 PRESSURE: 2089200 -72.4431 -12.4247 -256.262 -12.4247 -216.563 163.797 -256.262 163.798 -289.356 GPRESSURE: 2089200 -117.367 -84.1079 -289.061 81.248 -99.0499 160.838 -173.4 150.786 -285.898 PRESSAVG: 2089200 14.5358 -20.1614 13.3024 -20.1613 1.63594 -13.4305 13.3025 -13.4305 -21.4924 GPRESSAVG: 2089200 11.8184 -20.2924 13.2622 -19.4177 2.60522 -13.0048 14.1659 -11.2934 -20.2138 TIMING: 2089200 CPU: 6668.28, 0.00314584/step Wall: 6668.28, 0.00314584/step, 2.54358 hours remaining, 241.062500 MB of memory in use. ENERGY: 2089200 3953.7908 20454.3010 14454.4897 256.7062 -203441.2769 2491.9777 0.0000 0.0000 51899.9543 -109930.0571 298.2698 -161830.0114 -109568.9116 298.4446 -192.7874 -167.4384 761392.1395 -1.7735 -1.9301 PRESSURE: 2089400 487.615 42.4775 147.227 42.4767 -404.666 76.7337 147.227 76.7337 -227.744 GPRESSURE: 2089400 453.505 63.9294 60.9734 -68.0612 -343.024 114.222 99.1499 -10.4144 -169.129 PRESSAVG: 2089400 65.4076 -27.3878 60.6709 -27.3879 1.26903 -18.2987 60.6709 -18.2986 -1.50507 GPRESSAVG: 2089400 67.923 -26.833 61.2122 -29.5364 0.192308 -18.4828 59.7486 -20.3743 -2.77215 TIMING: 2089400 CPU: 6668.91, 0.00315164/step Wall: 6668.91, 0.00315164/step, 2.5481 hours remaining, 241.062500 MB of memory in use. ENERGY: 2089400 4055.5282 20565.8980 14466.1519 218.3505 -203525.9712 2819.6110 0.0000 0.0000 51704.0987 -109696.3329 297.1442 -161400.4316 -109333.2711 298.6880 -48.2651 -19.5493 761265.0080 21.7239 21.7811 PRESSURE: 2089600 -500.428 -56.8859 -5.00563 -56.8861 -200.127 6.5952 -5.00439 6.59454 75.2281 GPRESSURE: 2089600 -432.325 -130.756 -38.265 -126.211 -201.622 -41.9643 105.28 1.18465 83.7698 PRESSAVG: 2089600 15.78 -65.9171 9.28706 -65.917 -28.8964 7.20769 9.28714 7.20777 4.0644 GPRESSAVG: 2089600 16.1248 -65.0527 8.20393 -66.2448 -29.7919 8.08339 11.1616 6.03086 4.22046 TIMING: 2089600 CPU: 6669.54, 0.0031434/step Wall: 6669.54, 0.0031434/step, 2.54127 hours remaining, 241.062500 MB of memory in use. ENERGY: 2089600 3922.0615 20499.2218 14516.2255 256.8866 -203323.1445 2552.8959 0.0000 0.0000 51688.0150 -109887.8382 297.0517 -161575.8532 -109517.9154 298.3631 -208.4424 -183.3923 761741.7787 -3.0173 -3.1489 PRESSURE: 2089800 645.313 -189.108 153.837 -189.107 198.422 67.7679 153.838 67.7675 374.152 GPRESSURE: 2089800 610.147 -211.333 151.902 -97.7269 286.762 109.867 115.476 64.8807 388.612 PRESSAVG: 2089800 22.3843 -73.4705 24.6073 -73.4704 -27.3016 51.1769 24.6073 51.1769 -21.6709 GPRESSAVG: 2089800 21.0327 -72.8649 25.997 -71.0563 -26.4792 49.4051 21.9081 53.749 -20.9942 TIMING: 2089800 CPU: 6670.17, 0.00315153/step Wall: 6670.17, 0.00315153/step, 2.54766 hours remaining, 241.062500 MB of memory in use. ENERGY: 2089800 3937.5572 20509.3449 14467.1522 250.1471 -204028.7994 2860.4904 0.0000 0.0000 52289.9320 -109714.1756 300.5110 -162004.1076 -109346.8563 298.5375 405.9622 428.5070 759681.6395 -8.8627 -8.8136 PRESSURE: 2090000 -21.3959 -149.672 14.9832 -149.672 305.006 -20.4017 14.9835 -20.4026 257.056 GPRESSURE: 2090000 40.5844 -112.764 -3.70939 -114.268 308.56 -14.8065 -42.7799 -33.2802 290.259 PRESSAVG: 2090000 26.7789 -48.8624 34.2937 -48.8624 -27.4129 2.54277 34.2936 2.54278 27.1442 GPRESSAVG: 2090000 27.2562 -47.6757 32.0494 -51.0691 -27.7548 3.40078 35.045 1.69132 27.4275 TIMING: 2090000 CPU: 6670.8, 0.00315066/step Wall: 6670.8, 0.00315066/step, 2.54678 hours remaining, 241.062500 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: 2090000 3960.3073 20391.2265 14451.6162 245.1088 -203536.7963 2782.6255 0.0000 0.0000 52013.4159 -109692.4962 298.9218 -161705.9121 -109329.0712 298.9544 180.2221 213.1345 760203.9941 8.8367 8.9763 PRESSURE: 2090200 -87.1343 -247.562 -338.268 -247.562 -49.8536 -142 -338.269 -141.999 -515.7 GPRESSURE: 2090200 -52.8171 -261.369 -342.303 -213.608 11.4462 -104.309 -247.364 -146.515 -534.333 PRESSAVG: 2090200 -18.7606 -27.3794 -27.9065 -27.3793 30.4409 -5.82013 -27.9065 -5.82002 14.989 GPRESSAVG: 2090200 -16.5552 -30.2679 -25.4931 -26.2322 29.9437 -7.09103 -26.7954 -6.13452 13.5993 TIMING: 2090200 CPU: 6671.43, 0.0031695/step Wall: 6671.43, 0.0031695/step, 2.56184 hours remaining, 241.062500 MB of memory in use. ENERGY: 2090200 3918.1388 20588.3812 14469.2477 275.1802 -203324.2688 2470.5631 0.0000 0.0000 51961.8954 -109640.8625 298.6257 -161602.7579 -109284.9489 298.5361 -217.5626 -191.9013 762400.5088 8.8898 8.9959 PRESSURE: 2090400 209.212 -142.022 -61.1149 -142.023 -43.0481 170.751 -61.1148 170.749 384.994 GPRESSURE: 2090400 286.736 -2.68533 -126.635 -218.601 -21.6846 269.801 -9.03326 -2.79948 339.147 PRESSAVG: 2090400 11.2647 -17.2254 -13.4 -17.2253 18.6692 18.7549 -13.4 18.7548 -4.94704 GPRESSAVG: 2090400 9.1231 -14.8649 -13.9626 -17.043 19.5525 20.5425 -12.6998 19.2282 -4.7414 TIMING: 2090400 CPU: 6672.07, 0.00317363/step Wall: 6672.07, 0.00317363/step, 2.565 hours remaining, 241.062500 MB of memory in use. ENERGY: 2090400 4009.2911 20427.0649 14458.7834 262.5909 -203359.8897 2628.2447 0.0000 0.0000 52140.2144 -109433.7003 299.6505 -161573.9148 -109063.8157 298.7797 183.7194 201.3993 761200.8601 8.3290 7.9781 PRESSURE: 2090600 -90.0786 153.317 -199.556 153.317 -179.331 148.011 -199.555 148.012 391.652 GPRESSURE: 2090600 -107.951 151.246 -212.911 84.542 -99.551 109.176 -134.174 108.735 433.713 PRESSAVG: 2090600 34.4714 11.7168 -23.5747 11.7169 12.3083 28.9818 -23.5746 28.9818 -1.66136 GPRESSAVG: 2090600 34.9642 8.63875 -23.4831 12.2047 11.9664 28.9653 -22.5033 28.8538 -1.28001 TIMING: 2090600 CPU: 6672.7, 0.00315909/step Wall: 6672.7, 0.00315909/step, 2.55307 hours remaining, 241.062500 MB of memory in use. ENERGY: 2090600 3993.1198 20534.4869 14453.3580 248.3983 -203330.8871 2530.9782 0.0000 0.0000 52252.9052 -109317.6407 300.2982 -161570.5459 -108953.0074 299.1831 40.7475 75.4039 760753.8326 15.0395 15.2169 PRESSURE: 2090800 -112.93 -215.05 -230.121 -215.05 131.013 -230.877 -230.12 -230.877 377.507 GPRESSURE: 2090800 -47.7513 -206.733 -152.216 -212.259 182.359 -234.887 -178.713 -287.986 328.32 PRESSAVG: 2090800 -12.6427 -25.9827 -63.0287 -25.9827 -11.2144 1.72015 -63.0287 1.72022 10.9443 GPRESSAVG: 2090800 -12.6364 -23.147 -62.5494 -26.3566 -10.6145 0.418787 -65.1367 0.817567 10.3614 TIMING: 2090800 CPU: 6673.34, 0.00319011/step Wall: 6673.34, 0.00319011/step, 2.57796 hours remaining, 241.062500 MB of memory in use. ENERGY: 2090800 3974.4128 20530.0269 14458.9604 256.5159 -203045.2153 2507.3030 0.0000 0.0000 51970.8982 -109347.0981 298.6775 -161317.9963 -108991.3171 299.7201 131.8635 154.3094 761354.1006 -4.3043 -4.2965 PRESSURE: 2091000 -200.1 -69.3505 21.1405 -69.3497 -66.35 196.977 21.1405 196.978 55.623 GPRESSURE: 2091000 -132.846 -77.7494 74.6736 -129.613 -43.4686 178.34 -13.9301 52.5623 57.6339 PRESSAVG: 2091000 25.6085 -39.3362 51.0901 -39.3362 -35.51 13.1067 51.0901 13.1067 18.9071 GPRESSAVG: 2091000 25.8484 -39.9573 50.123 -40.4232 -36.1732 14.4401 49.8511 12.0501 18.8882 TIMING: 2091000 CPU: 6673.97, 0.00319065/step Wall: 6673.97, 0.00319065/step, 2.57822 hours remaining, 241.062500 MB of memory in use. ENERGY: 2091000 4018.0198 20473.9970 14488.7592 239.7021 -203100.9805 2553.9677 0.0000 0.0000 51964.4560 -109362.0787 298.6404 -161326.5347 -109001.0849 299.2419 -70.2756 -39.5601 761960.7779 3.0019 2.8544 PRESSURE: 2091200 184.161 -39.4645 -31.5143 -39.4646 91.5294 53.1405 -31.5148 53.1398 64.0815 GPRESSURE: 2091200 185.822 87.2984 12.9675 63.5083 201.445 97.485 -137.162 51.0267 8.91397 PRESSAVG: 2091200 31.1087 -13.441 -26.0208 -13.441 -3.68081 23.6575 -26.0208 23.6574 9.32596 GPRESSAVG: 2091200 30.8204 -12.384 -27.048 -12.2205 -3.49278 22.6213 -23.9558 23.7696 9.31583 TIMING: 2091200 CPU: 6674.61, 0.00318098/step Wall: 6674.61, 0.00318098/step, 2.57023 hours remaining, 241.062500 MB of memory in use. ENERGY: 2091200 3946.8756 20575.0671 14494.1613 244.6482 -203365.0276 2613.9665 0.0000 0.0000 52102.1137 -109388.1954 299.4316 -161490.3090 -109032.3466 299.4197 113.2574 132.0601 761231.0001 12.2513 12.2145 PRESSURE: 2091400 598.232 239.812 181.801 239.811 -186.177 97.7263 181.8 97.7265 254.358 GPRESSURE: 2091400 526.958 92.4253 151.704 318.401 -116.374 104.833 200.043 -29.3881 330.661 PRESSAVG: 2091400 59.8138 13.1741 21.3737 13.1741 27.3695 -7.14478 21.3737 -7.14478 6.2406 GPRESSAVG: 2091400 59.4738 12.8912 22.6387 13.5814 27.4555 -7.39358 20.4998 -7.12933 6.03025 TIMING: 2091400 CPU: 6675.25, 0.00318815/step Wall: 6675.25, 0.00318815/step, 2.57585 hours remaining, 241.062500 MB of memory in use. ENERGY: 2091400 3927.6243 20568.9851 14531.3129 254.1615 -203542.7477 2678.0590 0.0000 0.0000 52035.1645 -109547.4404 299.0468 -161582.6049 -109176.6427 299.0101 222.1377 247.0815 759517.1312 31.1413 30.9865 PRESSURE: 2091600 -121.441 -156.266 55.4017 -156.266 -290.189 -56.2449 55.4012 -56.2443 -409.32 GPRESSURE: 2091600 -208.462 -93.871 26.6596 -105.732 -200.142 -30.5709 56.1168 -81.1486 -327.702 PRESSAVG: 2091600 62.4687 -0.759787 -42.0897 -0.759743 -34.1692 -11.2893 -42.0896 -11.2893 -20.7628 GPRESSAVG: 2091600 63.2839 -1.66166 -42.7448 -0.526127 -36.1192 -8.84656 -40.6338 -10.486 -19.371 TIMING: 2091600 CPU: 6675.88, 0.00316268/step Wall: 6675.88, 0.00316268/step, 2.5551 hours remaining, 241.062500 MB of memory in use. ENERGY: 2091600 3980.8166 20587.0399 14518.8325 238.5384 -203284.1859 2256.3970 0.0000 0.0000 52050.1305 -109652.4311 299.1328 -161702.5616 -109285.3479 299.0020 -273.6499 -245.4351 759641.3498 2.5122 2.5979 PRESSURE: 2091800 61.4564 101.463 224.993 101.463 -112.079 51.6055 224.993 51.6048 -163.028 GPRESSURE: 2091800 88.0161 162.216 334.101 115.287 -45.3376 -35.7767 157.598 48.2656 -175.237 PRESSAVG: 2091800 30.0235 -2.61186 -3.27416 -2.61181 32.8603 29.6296 -3.27406 29.6296 -3.02686 GPRESSAVG: 2091800 29.2072 -2.28561 -3.56178 -3.28162 34.4383 26.5939 -3.93228 29.4682 -3.83167 TIMING: 2091800 CPU: 6676.52, 0.00317529/step Wall: 6676.52, 0.00317529/step, 2.56511 hours remaining, 241.062500 MB of memory in use. ENERGY: 2091800 4016.6803 20444.4428 14478.5049 243.0842 -203500.6137 2530.4792 0.0000 0.0000 52168.7692 -109618.6532 299.8146 -161787.4224 -109249.8100 298.8563 -71.2168 -44.1861 760379.0240 19.9523 19.9379 PRESSURE: 2092000 88.0594 22.2658 -69.5279 22.2656 -266.936 -117.584 -69.529 -117.583 -79.9154 GPRESSURE: 2092000 45.1196 -69.4151 -55.644 19.2111 -139.956 -154.09 -184.597 -137.393 -73.2427 PRESSAVG: 2092000 -7.52399 10.2095 0.532301 10.2095 15.1929 -20.2264 0.532297 -20.2264 0.123264 GPRESSAVG: 2092000 -7.73124 11.1319 1.03852 9.57546 15.7208 -19.4395 -0.691462 -18.2703 -0.327733 TIMING: 2092000 CPU: 6677.15, 0.00316349/step Wall: 6677.15, 0.00316349/step, 2.5554 hours remaining, 241.062500 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: 2092000 4001.1462 20530.9584 14518.7392 237.1878 -204002.5403 2941.3073 0.0000 0.0000 52103.1547 -109670.0467 299.4375 -161773.2013 -109325.4664 299.2560 -86.2639 -56.0265 760239.2817 2.5974 2.5540 PRESSURE: 2092200 147.167 227.871 25.8838 227.872 -280.03 -108.522 25.8845 -108.521 22.1985 GPRESSURE: 2092200 161.263 77.482 102.502 335.98 -157.235 -49.7912 121.93 -76.2422 -11.7145 PRESSAVG: 2092200 -16.4164 15.314 29.0577 15.3141 2.12797 -84.9308 29.0577 -84.9308 -3.96034 GPRESSAVG: 2092200 -16.1133 13.1283 29.6149 17.8228 0.629694 -84.9497 27.8166 -86.1016 -2.72288 TIMING: 2092200 CPU: 6677.78, 0.00314324/step Wall: 6677.78, 0.00314324/step, 2.53886 hours remaining, 241.062500 MB of memory in use. ENERGY: 2092200 4044.7927 20524.9494 14513.8755 246.5306 -203703.0810 2640.8898 0.0000 0.0000 52069.1272 -109662.9159 299.2420 -161732.0430 -109308.0433 299.0094 -36.8880 -2.5620 760599.7350 -6.0829 -6.0688 LDB: ============= START OF LOAD BALANCING ============== 6690.23 LDB: ============== END OF LOAD BALANCING =============== 6690.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6690.23 LDB: ============= START OF LOAD BALANCING ============== 6690.54 LDB: Largest compute 7070 load 0.036198 is 18.5% of average load 0.195176 LDB: Average compute 0.004400 is 2.3% of average load 0.195176 LDB: TIME 6690.55 LOAD: AVG 0.195176 MAX 0.213713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 6690.55 LOAD: AVG 0.195176 MAX 0.213713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.383 MB LDB: TIME 6690.55 LOAD: AVG 0.195176 MAX 0.213713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.383 MB LDB: ============== END OF LOAD BALANCING =============== 6690.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6690.55 PRESSURE: 2092400 -6.77133 -45.3622 -97.2516 -45.3616 -216.101 -32.0924 -97.2508 -32.0932 50.0196 GPRESSURE: 2092400 -23.8766 59.5911 -115.934 14.353 -111.004 -88.6123 -72.1098 -27.9187 62.153 PRESSAVG: 2092400 15.258 -31.0946 5.00751 -31.0945 -24.0578 -41.9438 5.0075 -41.9439 5.1502 GPRESSAVG: 2092400 15.2635 -30.6001 4.82509 -29.9242 -22.99 -41.4133 7.97787 -42.8523 3.98888 TIMING: 2092400 CPU: 6678.42, 0.00320401/step Wall: 6678.42, 0.00320401/step, 2.58778 hours remaining, 240.406250 MB of memory in use. ENERGY: 2092400 4040.3099 20474.6108 14433.3926 246.5852 -203589.1047 2701.9485 0.0000 0.0000 51782.3983 -109909.8594 297.5942 -161692.2577 -109540.7390 298.8624 -57.6176 -24.2425 761085.9663 -1.2165 -1.2459 PRESSURE: 2092600 -268.742 -170.929 97.3545 -170.93 -65.2861 13.3884 97.3548 13.3875 -14.7768 GPRESSURE: 2092600 -174.944 -249.567 139.156 -249.451 -23.5258 86.9352 181.506 20.4468 -68.8418 PRESSAVG: 2092600 -3.43077 -27.9998 -13.3588 -27.9998 5.55099 15.0405 -13.3588 15.0405 -5.04491 GPRESSAVG: 2092600 -3.68317 -26.1863 -14.9338 -30.4714 4.78277 15.4613 -14.1631 16.5847 -4.06504 TIMING: 2092600 CPU: 6679.05, 0.00316771/step Wall: 6679.05, 0.00316771/step, 2.55828 hours remaining, 240.406250 MB of memory in use. ENERGY: 2092600 4048.6813 20562.9336 14520.2035 249.0702 -203253.4568 2423.5007 0.0000 0.0000 51542.4198 -109906.6476 296.2150 -161449.0674 -109559.5397 298.3733 -116.2684 -89.1040 761118.2614 -0.9749 -0.9885 PRESSURE: 2092800 259.285 -79.7118 -37.5923 -79.7122 -55.7798 128.284 -37.5922 128.284 58.0309 GPRESSURE: 2092800 280.044 -88.1769 -63.2332 -16.3944 -70.5637 51.0434 -95.7232 143.79 119.26 PRESSAVG: 2092800 -13.8074 -57.3782 -3.04133 -57.3782 -4.05895 24.6289 -3.04132 24.6289 -14.5974 GPRESSAVG: 2092800 -13.6095 -60.6973 -2.49065 -56.4707 -3.76271 24.9524 -2.67083 22.825 -15.3737 TIMING: 2092800 CPU: 6679.69, 0.00317019/step Wall: 6679.69, 0.00317019/step, 2.5601 hours remaining, 240.406250 MB of memory in use. ENERGY: 2092800 3937.9470 20435.6704 14431.7708 240.3201 -203469.9097 2711.7368 0.0000 0.0000 51643.2299 -110069.2347 296.7944 -161712.4646 -109702.0460 297.9755 87.1787 109.5800 760988.2245 -10.8212 -10.9153 PRESSURE: 2093000 -346.917 -79.7361 -19.5977 -79.7359 22.412 -6.21365 -19.5976 -6.21376 -37.9703 GPRESSURE: 2093000 -263.408 88.1925 12.3115 -223.461 36.9771 73.5952 -60.0086 22.595 -41.5491 PRESSAVG: 2093000 -21.9725 -47.1354 30.2655 -47.1354 11.0534 50.151 30.2655 50.151 -12.1502 GPRESSAVG: 2093000 -21.7138 -43.1659 29.6757 -48.3295 10.8485 51.3703 29.9741 49.9079 -12.2779 TIMING: 2093000 CPU: 6680.32, 0.00318679/step Wall: 6680.32, 0.00318679/step, 2.57333 hours remaining, 240.406250 MB of memory in use. ENERGY: 2093000 3938.9064 20480.2399 14441.6804 236.0227 -203625.2272 2688.0420 0.0000 0.0000 51862.4642 -109977.8717 298.0543 -161840.3358 -109628.1667 297.8774 -120.8251 -89.3268 761193.0909 -7.6898 -7.7144 PRESSURE: 2093200 106.424 219.595 -169.569 219.594 135.122 29.2622 -169.569 29.2614 -177.202 GPRESSURE: 2093200 175.551 244.333 -229.739 223.529 195.197 41.0571 -156.495 154.713 -230.299 PRESSAVG: 2093200 -29.4175 -42.2226 -27.1767 -42.2226 11.022 5.74927 -27.1767 5.74925 -24.641 GPRESSAVG: 2093200 -29.5556 -45.2773 -26.4227 -40.2242 11.1202 5.47736 -27.2012 4.04142 -24.9088 TIMING: 2093200 CPU: 6680.96, 0.00317444/step Wall: 6680.96, 0.00317444/step, 2.56318 hours remaining, 240.406250 MB of memory in use. ENERGY: 2093200 3919.9201 20643.6415 14506.0079 242.5612 -203738.9649 2751.4090 0.0000 0.0000 51834.8638 -109840.5614 297.8957 -161675.4252 -109490.5078 298.4213 21.4479 46.8164 760038.0655 -14.3455 -14.4481 PRESSURE: 2093400 -81.4277 -131.302 389.576 -131.302 -156.804 -92.2272 389.576 -92.2273 -99.0144 GPRESSURE: 2093400 -103.312 -133.254 344.74 -175.552 -95.6836 -63.5971 384.121 -85.4651 -52.1508 PRESSAVG: 2093400 -61.2793 -52.1563 7.19863 -52.1562 16.3534 23.0504 7.19867 23.0504 -6.93146 GPRESSAVG: 2093400 -61.9273 -52.6645 7.25828 -53.4687 17.157 23.998 8.40594 24.911 -7.00487 TIMING: 2093400 CPU: 6681.59, 0.00314321/step Wall: 6681.59, 0.00314321/step, 2.53779 hours remaining, 240.406250 MB of memory in use. ENERGY: 2093400 3993.5089 20435.7057 14511.1496 247.3850 -203785.3163 2661.6936 0.0000 0.0000 52230.1608 -109705.7126 300.1675 -161935.8734 -109322.1983 298.7364 -112.4153 -83.7153 761738.0252 -17.2858 -17.2584 PRESSURE: 2093600 -98.7855 150.493 223.492 150.493 -4.07562 39.6422 223.493 39.6423 -21.6619 GPRESSURE: 2093600 22.1531 158.528 204.966 148.672 13.747 20.0244 275.478 71.6696 -70.7703 PRESSAVG: 2093600 -38.2335 3.23143 32.9119 3.23142 54.1222 -19.6695 32.912 -19.6694 6.5309 GPRESSAVG: 2093600 -37.563 4.18912 34.6246 3.58656 53.3717 -20.5394 31.6376 -19.8444 6.00915 TIMING: 2093600 CPU: 6682.22, 0.00314467/step Wall: 6682.22, 0.00314467/step, 2.53879 hours remaining, 240.406250 MB of memory in use. ENERGY: 2093600 4005.6554 20420.3531 14513.2125 260.6361 -203320.4786 2731.8273 0.0000 0.0000 51607.9559 -109780.8383 296.5916 -161388.7942 -109428.6469 298.5250 -41.5077 -11.6234 761462.4285 7.4732 7.2726 PRESSURE: 2093800 -20.4698 -69.1142 -87.6307 -69.1141 55.4706 -137.496 -87.6301 -137.497 -41.8699 GPRESSURE: 2093800 -16.7913 50.9238 -113.833 -28.4134 107.113 -183.404 -213.794 -27.6164 -24.6855 PRESSAVG: 2093800 -11.3227 9.21787 0.614918 9.21786 -26.2588 -27.7561 0.614893 -27.7561 -2.04479 GPRESSAVG: 2093800 -9.59075 9.08538 -0.269491 10.2414 -27.8619 -27.0127 1.52601 -26.2956 -2.52693 TIMING: 2093800 CPU: 6682.84, 0.00313743/step Wall: 6682.84, 0.00313743/step, 2.53278 hours remaining, 240.406250 MB of memory in use. ENERGY: 2093800 4023.9641 20471.8740 14415.1128 249.8275 -203436.6175 2730.7515 0.0000 0.0000 51781.0214 -109764.0663 297.5862 -161545.0877 -109409.1043 298.1958 -2.2897 21.8786 761496.2702 -13.2088 -13.3265 PRESSURE: 2094000 36.2143 10.6408 -191.116 10.6407 110.34 16.8056 -191.118 16.8048 -13.2247 GPRESSURE: 2094000 54.6512 -70.1276 -149.229 57.8377 140.824 4.27681 -57.4076 -136.814 13.3469 PRESSAVG: 2094000 -42.4758 -69.2548 15.3271 -69.2548 53.0995 -27.2841 15.3271 -27.284 6.17368 GPRESSAVG: 2094000 -44.6723 -68.8038 16.1922 -68.5702 55.8268 -27.9924 13.6343 -28.6326 6.58634 TIMING: 2094000 CPU: 6683.47, 0.00314882/step Wall: 6683.47, 0.00314882/step, 2.5418 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2094000 3950.5670 20419.8408 14463.9093 233.0548 -203748.4868 2965.5601 0.0000 0.0000 51839.6127 -109875.9421 297.9230 -161715.5548 -109505.9094 298.4023 44.4431 69.6075 761398.0744 5.5991 5.9136 PRESSURE: 2094200 -56.0323 -60.5092 -1.75638 -60.5092 24.0176 -153.566 -1.75659 -153.568 -307.534 GPRESSURE: 2094200 67.3487 -28.1211 79.2416 -146.855 -8.3542 -138.347 -20.6302 -15.2796 -318.22 PRESSAVG: 2094200 -28.3343 -56.6224 -2.76798 -56.6225 42.2571 16.8356 -2.76796 16.8356 -27.9915 GPRESSAVG: 2094200 -27.7285 -55.8216 -3.82131 -59.2064 40.3992 16.616 -1.27975 18.416 -26.4828 TIMING: 2094200 CPU: 6684.1, 0.0031568/step Wall: 6684.1, 0.0031568/step, 2.54806 hours remaining, 240.406250 MB of memory in use. ENERGY: 2094200 4084.0538 20435.3414 14479.9738 248.2320 -203603.4869 2823.5056 0.0000 0.0000 51855.7471 -109676.6332 298.0157 -161532.3803 -109324.6298 298.4495 -113.1828 -86.4084 762569.3690 -4.6896 -4.6040 PRESSURE: 2094400 -324.428 50.5737 69.1359 50.5739 224.102 -137.763 69.136 -137.762 170.022 GPRESSURE: 2094400 -307.305 -0.995426 88.0229 -56.7553 275.986 -63.7403 140.419 -205.046 172.107 PRESSAVG: 2094400 -48.227 -74.4426 -4.61457 -74.4426 26.46 7.79925 -4.61457 7.79927 0.408883 GPRESSAVG: 2094400 -47.6553 -75.4769 -4.63651 -72.0307 27.5303 10.2399 -5.3792 5.21253 -1.46123 TIMING: 2094400 CPU: 6684.73, 0.00312802/step Wall: 6684.73, 0.00312802/step, 2.52466 hours remaining, 240.406250 MB of memory in use. ENERGY: 2094400 3884.6561 20439.5121 14453.7210 234.8296 -203771.3865 2870.7323 0.0000 0.0000 52287.2872 -109600.6482 300.4958 -161887.9354 -109226.9047 299.0282 23.2322 46.9294 761322.3619 -7.1194 -7.1954 PRESSURE: 2094600 -22.1515 -210.191 55.2268 -210.192 98.3631 172.813 55.2272 172.813 200.201 GPRESSURE: 2094600 -8.30051 -160.827 15.8342 -307.672 176.235 116.503 -55.9487 159.231 195.383 PRESSAVG: 2094600 -6.42605 12.224 32.8189 12.2239 43.1049 65.5477 32.8189 65.5477 6.85262 GPRESSAVG: 2094600 -8.34183 12.8073 33.8083 10.3168 42.6698 62.114 29.1509 67.7321 9.43723 TIMING: 2094600 CPU: 6685.36, 0.00314051/step Wall: 6685.36, 0.00314051/step, 2.53457 hours remaining, 240.406250 MB of memory in use. ENERGY: 2094600 4003.4763 20601.2381 14501.9743 242.6075 -203996.5472 3183.6885 0.0000 0.0000 52035.5719 -109427.9907 299.0491 -161463.5626 -109067.5925 299.1407 92.1377 121.1058 760899.1133 14.5105 14.5884 PRESSURE: 2094800 -142.701 123.785 5.64444 123.785 37.2629 54.2947 5.64354 54.2939 -33.2821 GPRESSURE: 2094800 -77.2796 219.942 1.56442 175.061 19.1109 -1.64811 -20.5455 41.8939 -15.3846 PRESSAVG: 2094800 15.4195 -5.94337 4.65076 -5.94338 34.1161 34.628 4.65068 34.6279 30.1305 GPRESSAVG: 2094800 18.3689 -6.31173 5.2739 -6.35859 32.3073 34.5345 4.35793 36.2597 28.5119 TIMING: 2094800 CPU: 6685.99, 0.0031486/step Wall: 6685.99, 0.0031486/step, 2.54092 hours remaining, 240.406250 MB of memory in use. ENERGY: 2094800 3940.2844 20600.2247 14461.6792 240.2433 -203314.6466 2774.3527 0.0000 0.0000 52235.3898 -109062.4725 300.1975 -161297.8623 -108698.7134 299.8220 -46.2400 -24.5178 760960.6039 26.5554 26.3960 PRESSURE: 2095000 -34.9025 -65.4326 -53.4801 -65.4319 -332.791 56.7151 -53.4799 56.7149 -440.07 GPRESSURE: 2095000 -49.077 -150.742 -37.1037 78.699 -251.987 18.9575 51.4909 34.5391 -448.876 PRESSAVG: 2095000 21.7916 -8.73825 35.5841 -8.73829 19.0496 -17.7101 35.5841 -17.71 1.17353 GPRESSAVG: 2095000 19.7968 -10.3268 31.9836 -8.59265 19.2841 -15.4309 39.5612 -19.4699 2.65904 TIMING: 2095000 CPU: 6686.62, 0.00317832/step Wall: 6686.62, 0.00317832/step, 2.56472 hours remaining, 240.406250 MB of memory in use. ENERGY: 2095000 3943.7240 20613.7774 14466.7656 235.2959 -203546.8065 2659.9418 0.0000 0.0000 52602.4201 -109024.8817 302.3068 -161627.3018 -108648.8249 300.3541 -269.2544 -249.9799 760801.5998 14.0049 13.9133 PRESSURE: 2095200 -397.289 68.9346 -155.412 68.9343 -304.275 -194.243 -155.413 -194.243 -499.345 GPRESSURE: 2095200 -367.733 92.8425 -78.1873 230.826 -241.34 -131.768 -21.66 -251.413 -494.66 PRESSAVG: 2095200 36.9316 -19.1748 -22.8917 -19.1748 -17.1878 -31.7015 -22.8917 -31.7016 4.92059 GPRESSAVG: 2095200 36.0042 -17.3066 -20.389 -19.2128 -16.0663 -31.92 -22.0143 -31.9364 4.84925 TIMING: 2095200 CPU: 6687.25, 0.00315406/step Wall: 6687.25, 0.00315406/step, 2.54498 hours remaining, 240.406250 MB of memory in use. ENERGY: 2095200 4003.6638 20554.5391 14467.3066 253.9446 -203203.2560 2618.6574 0.0000 0.0000 52290.6943 -109014.4502 300.5153 -161305.1445 -108659.1640 300.0991 -400.3030 -367.9111 761691.1848 8.2215 8.2624 PRESSURE: 2095400 32.0361 112.522 -63.5887 112.522 174.24 13.1987 -63.5885 13.1992 -28.9938 GPRESSURE: 2095400 97.3937 94.5795 -125.237 91.9541 252.549 57.0724 -90.1586 -54.4191 -75.0715 PRESSAVG: 2095400 23.8829 -73.2195 35.2148 -73.2195 -22.7077 9.30806 35.2148 9.30801 -12.0522 GPRESSAVG: 2095400 25.1326 -73.4359 34.1028 -73.0574 -22.0667 9.78 33.2575 8.12123 -13.7687 TIMING: 2095400 CPU: 6687.88, 0.00313807/step Wall: 6687.88, 0.00313807/step, 2.5319 hours remaining, 240.406250 MB of memory in use. ENERGY: 2095400 4018.1959 20613.8507 14502.8555 247.8624 -203145.5980 2576.7173 0.0000 0.0000 52198.1712 -108987.9450 299.9836 -161186.1163 -108615.7036 300.2825 59.0940 91.6236 761696.2705 -3.6257 -3.5676 PRESSURE: 2095600 167.306 -19.6525 155.646 -19.6522 -66.8054 5.67876 155.646 5.67846 336.781 GPRESSURE: 2095600 212.503 -38.2605 214.204 -18.2658 -8.01244 -8.70568 48.4958 55.1617 307.74 PRESSAVG: 2095600 19.1993 16.517 -32.0374 16.517 9.64353 -16.7977 -32.0374 -16.7978 -14.4803 GPRESSAVG: 2095600 19.4559 16.9006 -32.16 16.8035 9.45413 -19.7654 -32.1918 -16.0762 -14.5702 TIMING: 2095600 CPU: 6688.51, 0.00313199/step Wall: 6688.51, 0.00313199/step, 2.52682 hours remaining, 240.406250 MB of memory in use. ENERGY: 2095600 3967.8794 20550.1534 14461.0919 236.0053 -203354.7823 2719.3196 0.0000 0.0000 52306.1687 -109114.1640 300.6043 -161420.3326 -108757.1520 299.7410 145.7607 170.7435 761541.6103 4.7875 4.7799 PRESSURE: 2095800 211.223 -214.478 327.781 -214.479 -342.009 -314.646 327.781 -314.645 -207.051 GPRESSURE: 2095800 297.686 -165.607 308.404 -184.923 -289.863 -266.953 235.465 -121.858 -266.131 PRESSAVG: 2095800 50.7133 12.5644 -37.8102 12.5644 -42.1268 4.96058 -37.8103 4.96053 -19.758 GPRESSAVG: 2095800 50.4483 11.4961 -36.0289 12.5862 -42.6673 6.02032 -38.2546 4.86516 -19.2021 TIMING: 2095800 CPU: 6689.13, 0.00313333/step Wall: 6689.13, 0.00313333/step, 2.52773 hours remaining, 240.406250 MB of memory in use. ENERGY: 2095800 4030.0192 20491.0179 14474.7450 253.0329 -203040.4074 2449.4171 0.0000 0.0000 52154.7557 -109187.4196 299.7341 -161342.1753 -108833.4909 299.8075 -112.6123 -86.1024 762545.5605 -3.7239 -3.8070 PRESSURE: 2096000 126.989 6.2412 -209.611 6.24218 -164.156 -5.08602 -209.611 -5.08535 -250.997 GPRESSURE: 2096000 26.4455 -46.7139 -226.582 -37.7765 -84.1875 -102.009 -166.551 44.0648 -146.962 PRESSAVG: 2096000 46.2104 -33.26 49.5197 -33.26 -4.55469 -67.8418 49.5196 -67.8418 11.6664 GPRESSAVG: 2096000 45.958 -34.7289 50.1295 -31.8366 -3.98266 -67.1002 49.8946 -65.2195 11.3259 TIMING: 2096000 CPU: 6689.76, 0.0031297/step Wall: 6689.76, 0.0031297/step, 2.52462 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2096000 4010.7584 20502.3748 14469.9777 242.2942 -203486.8864 2756.1860 0.0000 0.0000 52236.4134 -109268.8819 300.2034 -161505.2953 -108901.7933 299.6982 -96.0549 -68.2346 761539.8419 17.7740 17.7671 PRESSURE: 2096200 -39.6799 -45.0396 -19.9881 -45.0384 242.479 279.58 -19.9882 279.579 240.687 GPRESSURE: 2096200 -46.4516 -88.2569 62.1401 -158.149 349.921 348.539 3.94549 209.237 200.992 PRESSAVG: 2096200 -10.0177 -50.0541 -33.6349 -50.0541 -29.85 15.0693 -33.6349 15.0693 -7.65352 GPRESSAVG: 2096200 -10.959 -47.8251 -33.9684 -54.2038 -29.0305 12.2893 -33.1099 15.416 -7.94591 TIMING: 2096200 CPU: 6690.39, 0.00315154/step Wall: 6690.39, 0.00315154/step, 2.54207 hours remaining, 240.406250 MB of memory in use. ENERGY: 2096200 4023.5522 20637.0019 14461.5355 235.7542 -203270.1813 2584.9718 0.0000 0.0000 52214.9304 -109112.4351 300.0799 -161327.3655 -108757.8153 299.9624 147.8285 168.1537 762433.0286 -15.8404 -15.9785 LDB: ============= START OF LOAD BALANCING ============== 6702.84 LDB: ============== END OF LOAD BALANCING =============== 6702.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6702.84 LDB: ============= START OF LOAD BALANCING ============== 6703.16 LDB: Largest compute 7034 load 0.035846 is 18.4% of average load 0.195182 LDB: Average compute 0.004413 is 2.3% of average load 0.195182 LDB: TIME 6703.16 LOAD: AVG 0.195182 MAX 0.214482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.945 MB LDB: TIME 6703.16 LOAD: AVG 0.195182 MAX 0.214482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.109 MB LDB: TIME 6703.16 LOAD: AVG 0.195182 MAX 0.214482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.109 MB LDB: ============== END OF LOAD BALANCING =============== 6703.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6703.17 PRESSURE: 2096400 -216.233 160.586 -150.904 160.586 -193.055 88.6163 -150.903 88.6158 -23.792 GPRESSURE: 2096400 -184.851 245.86 -166.801 153.93 -109.823 108.491 -154.616 88.5948 -38.8495 PRESSAVG: 2096400 11.9124 -22.6689 -27.8738 -22.6688 65.3081 48.2458 -27.8738 48.2458 -6.15535 GPRESSAVG: 2096400 11.5002 -23.5664 -29.8151 -21.0937 65.4891 51.6761 -27.8237 44.9142 -5.21677 TIMING: 2096400 CPU: 6691.03, 0.00321291/step Wall: 6691.03, 0.00321291/step, 2.59139 hours remaining, 241.031250 MB of memory in use. ENERGY: 2096400 3949.9549 20550.2644 14591.1163 248.1747 -203025.0532 2581.0527 0.0000 0.0000 51954.8446 -109149.6456 298.5852 -161104.4902 -108789.7210 299.8257 -144.3601 -111.1744 761936.9414 23.6884 23.9242 PRESSURE: 2096600 237.491 -45.6002 -59.095 -45.5995 56.2816 -31.9787 -59.0949 -31.978 147.343 GPRESSURE: 2096600 305.401 47.8524 7.81995 -53.3568 19.7491 4.68322 -181.346 -21.4199 191.458 PRESSAVG: 2096600 -10.731 -5.20489 -25.6705 -5.20484 32.5761 8.22226 -25.6705 8.22227 -2.53851 GPRESSAVG: 2096600 -10.2692 -3.42928 -24.4709 -5.31906 31.4407 6.13696 -28.5438 9.52304 -2.07201 TIMING: 2096600 CPU: 6691.67, 0.00316147/step Wall: 6691.67, 0.00316147/step, 2.54972 hours remaining, 241.234375 MB of memory in use. ENERGY: 2096600 3998.6351 20521.3669 14447.5328 233.2759 -203070.1941 2533.0660 0.0000 0.0000 52017.9272 -109318.3901 298.9477 -161336.3173 -108955.5021 299.6040 147.0384 172.2028 760967.4501 6.4355 6.3665 PRESSURE: 2096800 37.5091 -135.449 -151.653 -135.449 -448.014 -134.333 -151.653 -134.333 258.465 GPRESSURE: 2096800 -79.9487 -144.477 -109.046 -142.313 -308.97 -211.36 -86.2631 -31.6355 305.281 PRESSAVG: 2096800 -20.4487 -8.29135 -23.9521 -8.29135 1.47937 -7.74111 -23.9521 -7.74109 -10.9601 GPRESSAVG: 2096800 -20.3722 -8.60256 -24.994 -8.15865 1.02098 -7.17309 -22.2376 -6.08753 -11.1349 TIMING: 2096800 CPU: 6692.3, 0.00316246/step Wall: 6692.3, 0.00316246/step, 2.55035 hours remaining, 241.234375 MB of memory in use. ENERGY: 2096800 3999.8664 20380.5438 14478.5581 231.0469 -203360.1579 2573.1300 0.0000 0.0000 52209.2033 -109487.8094 300.0470 -161697.0128 -109124.2238 298.8276 -50.6798 -27.8790 761300.6104 -9.9765 -10.1620 PRESSURE: 2097000 4.35658 99.741 -102.867 99.7422 -191.84 -57.8722 -102.866 -57.8724 185.067 GPRESSURE: 2097000 -13.0164 -13.5653 -119.875 112.553 -70.75 14.2018 -261.374 -33.8561 163.412 PRESSAVG: 2097000 -0.962249 10.6196 -1.38204 10.6195 23.9984 -36.7033 -1.38201 -36.7034 37.8971 GPRESSAVG: 2097000 -1.1096 10.5992 0.0983184 11.0429 25.038 -36.7024 -3.44584 -39.0695 36.8249 TIMING: 2097000 CPU: 6692.93, 0.00315239/step Wall: 6692.93, 0.00315239/step, 2.54206 hours remaining, 241.234375 MB of memory in use. ENERGY: 2097000 3954.8146 20561.6099 14465.9625 239.7027 -203386.5526 2473.3677 0.0000 0.0000 52137.9488 -109553.1464 299.6375 -161691.0952 -109182.6301 299.1255 -0.8053 26.5484 761933.2995 20.3111 20.2511 PRESSURE: 2097200 -487.445 -75.7023 107.27 -75.7028 345.23 2.70301 107.271 2.70248 -141.611 GPRESSURE: 2097200 -480.166 -114.173 66.5317 -160.267 330.005 -86.5646 118.596 91.2071 -43.2001 PRESSAVG: 2097200 -61.0478 -27.7975 -30.8342 -27.7974 41.3089 -13.114 -30.8341 -13.114 -13.4778 GPRESSAVG: 2097200 -60.204 -28.264 -31.6324 -27.1909 41.1993 -13.7262 -31.679 -11.6976 -13.2948 TIMING: 2097200 CPU: 6693.56, 0.00315156/step Wall: 6693.56, 0.00315155/step, 2.5412 hours remaining, 241.234375 MB of memory in use. ENERGY: 2097200 3958.9536 20384.5545 14480.0491 253.9702 -203302.2022 2522.1510 0.0000 0.0000 52306.5828 -109395.9410 300.6067 -161702.5239 -109025.2349 299.1059 -94.6087 -64.4539 760879.4178 -11.0723 -10.7665 PRESSURE: 2097400 222.831 -94.6344 -74.7061 -94.6349 369.455 -95.8242 -74.7065 -95.8257 397.765 GPRESSURE: 2097400 270.335 -180.306 14.9906 -36.8861 366.762 -146.21 -35.2566 -111.175 413.314 PRESSAVG: 2097400 -14.3775 -24.5514 24.7741 -24.5514 32.5666 -21.1546 24.7741 -21.1545 6.14907 GPRESSAVG: 2097400 -13.2047 -25.3483 25.2754 -25.1087 30.8513 -20.4735 26.8719 -21.2665 5.95456 TIMING: 2097400 CPU: 6694.18, 0.00312759/step Wall: 6694.18, 0.00312759/step, 2.52171 hours remaining, 241.234375 MB of memory in use. ENERGY: 2097400 4001.2574 20387.3166 14501.7069 248.0273 -203319.1759 2696.9943 0.0000 0.0000 52048.3003 -109435.5732 299.1223 -161483.8735 -109080.9574 298.9472 330.0172 350.1373 761551.4161 8.1127 7.8671 PRESSURE: 2097600 93.0967 -21.0423 2.68544 -21.0418 -38.1029 -54.8543 2.68629 -54.8554 -245.837 GPRESSURE: 2097600 127.881 -25.7585 -9.67367 -34.1938 -4.31236 -21.206 -65.391 -105.425 -247.954 PRESSAVG: 2097600 6.49749 -38.6258 43.8066 -38.6259 37.3866 -9.67933 43.8066 -9.67937 5.57468 GPRESSAVG: 2097600 5.84204 -37.1146 43.8443 -39.7489 38.5933 -9.84868 45.3187 -10.3143 5.51548 TIMING: 2097600 CPU: 6694.82, 0.00315431/step Wall: 6694.82, 0.00315431/step, 2.54307 hours remaining, 241.234375 MB of memory in use. ENERGY: 2097600 4015.4648 20584.9067 14452.4512 262.0900 -202997.6570 2276.2609 0.0000 0.0000 52195.2741 -109211.2093 299.9670 -161406.4834 -108851.5928 299.3593 -63.6143 -41.4618 759960.4087 16.4862 16.6503 PRESSURE: 2097800 136.369 -7.65306 -31.1695 -7.6531 1.24306 -113.555 -31.1702 -113.555 174.206 GPRESSURE: 2097800 130.324 -71.1904 -74.8573 -67.951 48.1142 -108.78 3.80972 65.2647 209.431 PRESSAVG: 2097800 4.33516 -42.9224 30.8309 -42.9224 14.4648 25.4434 30.8309 25.4434 14.6128 GPRESSAVG: 2097800 3.29147 -43.3236 30.6441 -42.6933 16.0753 26.0625 31.0351 26.0142 14.5164 TIMING: 2097800 CPU: 6695.44, 0.00314057/step Wall: 6695.44, 0.00314057/step, 2.53182 hours remaining, 241.234375 MB of memory in use. ENERGY: 2097800 3944.4223 20410.7210 14518.0391 258.2851 -203416.0718 2763.9390 0.0000 0.0000 52327.9702 -109192.6950 300.7296 -161520.6652 -108823.4553 299.5265 103.9391 129.2898 760308.7913 11.1376 11.2944 PRESSURE: 2098000 -110.257 54.9119 70.7444 54.9115 -94.3008 -43.4239 70.7445 -43.4245 366.523 GPRESSURE: 2098000 -20.5841 -94.6273 81.4631 -17.5687 -49.9026 -89.6805 232.36 -86.3281 314.328 PRESSAVG: 2098000 21.851 1.71297 -28.2493 1.71295 2.94863 -15.7959 -28.2493 -15.7959 -17.6958 GPRESSAVG: 2098000 23.3354 0.613818 -28.9138 1.30191 1.0879 -16.3386 -25.6001 -14.6186 -17.4847 TIMING: 2098000 CPU: 6696.07, 0.00314967/step Wall: 6696.07, 0.00314967/step, 2.53899 hours remaining, 241.492188 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: 2098000 3914.7807 20682.6351 14498.9431 246.2324 -202816.6048 2574.6612 0.0000 0.0000 52078.4149 -108820.9373 299.2954 -160899.3522 -108463.2209 299.7915 53.9886 81.2803 761493.9170 2.3680 2.3129 PRESSURE: 2098200 484.367 -87.2784 -55.0151 -87.278 161.542 262.961 -55.0149 262.961 167.642 GPRESSURE: 2098200 406.003 -138.993 -50.6622 -83.0057 264.771 276.696 -158.585 162.084 222.021 PRESSAVG: 2098200 17.1089 -51.201 12.2932 -51.201 -31.4104 30.8729 12.2932 30.8728 16.3583 GPRESSAVG: 2098200 15.4915 -50.4344 11.9308 -51.6714 -30.1377 31.5054 9.52535 27.1931 16.1868 TIMING: 2098200 CPU: 6696.7, 0.00315008/step Wall: 6696.7, 0.00315008/step, 2.53914 hours remaining, 241.492188 MB of memory in use. ENERGY: 2098200 3917.1317 20419.0784 14389.4087 254.7522 -203208.0106 2756.5612 0.0000 0.0000 52351.1530 -109119.9255 300.8628 -161471.0784 -108750.3144 299.9860 271.1836 297.5983 759266.0624 0.6856 0.5135 PRESSURE: 2098400 -339.507 -18.2243 -64.5166 -18.225 -109.463 141.523 -64.5158 141.524 -282.834 GPRESSURE: 2098400 -246.341 -106.144 -39.8728 20.6134 -165.472 160.894 61.4444 229.646 -250.42 PRESSAVG: 2098400 34.7244 2.75163 29.7509 2.75161 16.4497 20.1418 29.751 20.1419 -13.7213 GPRESSAVG: 2098400 34.3773 2.92936 31.0744 3.80306 15.8753 19.3016 29.1254 23.391 -13.4044 TIMING: 2098400 CPU: 6697.33, 0.00315045/step Wall: 6697.33, 0.00315045/step, 2.53926 hours remaining, 241.492188 MB of memory in use. ENERGY: 2098400 3983.1304 20511.9200 14475.5056 273.6474 -203001.7541 2601.2843 0.0000 0.0000 51893.8649 -109262.4014 298.2348 -161156.2663 -108896.7470 299.1825 -243.9344 -220.7442 763974.1469 12.4843 12.2827 PRESSURE: 2098600 -378.232 -162.48 191.07 -162.48 -150.617 135.054 191.07 135.054 19.9107 GPRESSURE: 2098600 -234.933 -198.633 285.556 -50.6256 -144.158 126.541 112.217 -27.3181 -48.4574 PRESSAVG: 2098600 -25.1009 9.85406 29.6321 9.85409 -13.6509 25.5563 29.6322 25.5563 15.6588 GPRESSAVG: 2098600 -24.319 12.5621 29.8566 9.73078 -13.9776 25.739 29.7682 23.9714 15.1178 TIMING: 2098600 CPU: 6697.96, 0.0031516/step Wall: 6697.96, 0.0031516/step, 2.54002 hours remaining, 241.492188 MB of memory in use. ENERGY: 2098600 4022.0381 20368.7496 14352.7069 243.0696 -202760.5189 2258.1723 0.0000 0.0000 52196.1245 -109319.6579 299.9718 -161515.7824 -108958.0399 299.0699 -169.6463 -142.5159 762406.3296 -7.6977 -7.7263 PRESSURE: 2098800 -191.518 19.1944 -34.6976 19.1939 101.975 -274.767 -34.6986 -274.767 -160.386 GPRESSURE: 2098800 -197.49 -2.53808 -80.5797 15.0522 118.3 -347.146 38.1286 -127.614 -97.0154 PRESSAVG: 2098800 37.6709 -24.3615 -14.3416 -24.3615 -47.2993 11.5264 -14.3416 11.5264 1.97145 GPRESSAVG: 2098800 39.3663 -28.0285 -16.2048 -23.0225 -48.6648 9.94438 -13.2651 12.5542 1.71019 TIMING: 2098800 CPU: 6698.59, 0.00313499/step Wall: 6698.59, 0.00313499/step, 2.52645 hours remaining, 241.492188 MB of memory in use. ENERGY: 2098800 3982.4302 20577.6815 14527.0470 256.3673 -202933.9955 2626.0581 0.0000 0.0000 51903.3423 -109061.0691 298.2892 -160964.4114 -108697.0611 299.4082 -83.3093 -58.7349 760737.5483 -2.5523 -2.5294 PRESSURE: 2099000 -35.2743 55.5697 -154.872 55.5698 129.896 92.7709 -154.872 92.7701 -179.224 GPRESSURE: 2099000 -71.6015 8.73432 -114.146 64.4784 198.564 193.402 -159.577 86.5341 -121.675 PRESSAVG: 2099000 20.6661 -7.66351 8.73115 -7.66344 -23.1349 23.045 8.73115 23.0449 6.04939 GPRESSAVG: 2099000 18.794 -5.09454 9.37076 -11.7679 -21.6919 24.9014 10.4162 23.3361 6.39536 TIMING: 2099000 CPU: 6699.22, 0.00314617/step Wall: 6699.22, 0.00314617/step, 2.53529 hours remaining, 241.492188 MB of memory in use. ENERGY: 2099000 3948.8660 20476.0629 14484.8459 246.7763 -203189.3062 2472.4894 0.0000 0.0000 52279.1032 -109281.1624 300.4487 -161560.2656 -108914.7507 299.8642 -28.2007 1.7627 761321.1226 1.1935 1.1658 PRESSURE: 2099200 -320.591 -78.6674 368.368 -78.6668 -85.0051 -121.891 368.369 -121.89 206.141 GPRESSURE: 2099200 -256.526 -38.5317 362.862 -56.2789 -51.8239 2.08763 234.891 -57.2924 186.564 PRESSAVG: 2099200 35.9276 -37.7623 -18.3065 -37.7623 -65.1688 28.8924 -18.3064 28.8924 1.954 GPRESSAVG: 2099200 36.3413 -37.7744 -18.132 -35.9606 -64.7589 28.2413 -21.4382 27.9507 1.42094 TIMING: 2099200 CPU: 6699.85, 0.00315446/step Wall: 6699.85, 0.00315446/step, 2.54179 hours remaining, 241.492188 MB of memory in use. ENERGY: 2099200 4080.6575 20433.3669 14488.6189 244.4137 -202850.0089 2410.6006 0.0000 0.0000 51908.6006 -109283.7507 298.3194 -161192.3513 -108917.3176 299.0650 -66.4852 -40.5953 761226.8181 -9.0958 -8.9989 PRESSURE: 2099400 197.866 31.1027 -103.836 31.1022 -0.652431 -270.162 -103.836 -270.161 -158.233 GPRESSURE: 2099400 146.535 -10.0407 -5.96726 145.247 92.3247 -308.631 -98.3568 -127.681 -125.875 PRESSAVG: 2099400 -53.9572 -77.9032 -19.0919 -77.9032 47.4964 -17.7054 -19.092 -17.7054 -0.229233 GPRESSAVG: 2099400 -53.9472 -80.8943 -18.8919 -75.1045 46.9809 -16.8518 -17.5185 -18.8594 -0.264275 TIMING: 2099400 CPU: 6700.48, 0.00316959/step Wall: 6700.48, 0.00316959/step, 2.55381 hours remaining, 241.492188 MB of memory in use. ENERGY: 2099400 4015.8680 20398.7760 14442.9623 241.5516 -203448.4134 2800.4145 0.0000 0.0000 52334.2133 -109214.6276 300.7654 -161548.8410 -108853.2117 298.9590 12.9936 37.6617 761202.7973 -2.2300 -2.4102 PRESSURE: 2099600 -274.735 0.255776 -117.162 0.254772 -698.783 -99.2059 -117.161 -99.2055 145.685 GPRESSURE: 2099600 -284.039 -71.9789 -33.1888 49.0303 -567.34 -108.309 -182.516 -145.075 101.843 PRESSAVG: 2099600 -39.1212 -27.1422 -10.8395 -27.1422 25.8082 -5.05628 -10.8394 -5.05622 -8.89185 GPRESSAVG: 2099600 -39.003 -27.5313 -11.2213 -28.1859 26.2931 -4.88226 -9.39989 -5.03141 -9.13299 TIMING: 2099600 CPU: 6701.13, 0.00320231/step Wall: 6701.13, 0.00320231/step, 2.58 hours remaining, 241.492188 MB of memory in use. ENERGY: 2099600 4101.7335 20339.7004 14464.5645 246.1152 -203103.7617 2397.9563 0.0000 0.0000 52168.8675 -109384.8242 299.8152 -161553.6917 -109031.1788 299.3816 -275.9444 -249.8453 762158.6101 -7.4016 -7.2810 PRESSURE: 2099800 35.0854 15.0609 14.5164 15.0618 -324.164 -11.2066 14.5164 -11.2053 308.281 GPRESSURE: 2099800 91.9547 46.531 147.845 -5.6013 -224.698 56.1056 21.988 23.7877 239.782 PRESSAVG: 2099800 1.67044 -54.8125 -40.65 -54.8124 -14.5595 11.1126 -40.65 11.1126 17.7747 GPRESSAVG: 2099800 1.79623 -51.7899 -41.2957 -55.1683 -15.7449 9.8424 -40.1511 12.0001 18.9627 TIMING: 2099800 CPU: 6701.76, 0.00319135/step Wall: 6701.76, 0.00319135/step, 2.57098 hours remaining, 241.492188 MB of memory in use. ENERGY: 2099800 4023.7539 20360.5889 14518.8897 248.2181 -203489.2546 2684.7490 0.0000 0.0000 52207.9973 -109445.0578 300.0401 -161653.0551 -109084.3712 299.6490 6.4008 35.6793 761670.2600 1.6286 1.6713 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100000 -443.651 -58.633 -134.764 -58.633 -455.379 145.186 -134.764 145.186 -129.205 GPRESSURE: 2100000 -372.506 -76.0316 -76.2859 20.4529 -442.185 112.676 -189.089 15.0143 -118.939 PRESSAVG: 2100000 -3.35722 -89.234 -51.9712 -89.2339 5.08109 2.49504 -51.9712 2.495 6.27039 GPRESSAVG: 2100000 -3.15545 -89.6682 -51.5354 -90.5732 5.67413 4.00246 -52.8362 2.23483 5.28533 TIMING: 2100000 CPU: 6705.95, 0.0209561/step Wall: 6705.95, 0.0209561/step, 16.8813 hours remaining, 241.546875 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: 2100000 3997.3930 20466.4656 14475.1965 258.4448 -203231.1731 2460.0323 0.0000 0.0000 52013.6216 -109560.0193 298.9230 -161573.6409 -109201.6782 299.0079 -342.7450 -311.2100 761270.8808 2.6648 2.6013 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 PRESSURE: 2100200 -22.1304 -33.5375 -172.23 -33.5374 105.323 -197.641 -172.229 -197.641 -138.983 GPRESSURE: 2100200 6.45772 -17.2192 -183.307 57.0456 96.8056 -198.125 -144.669 -139.429 -69.883 PRESSAVG: 2100200 -0.13093 -61.1798 -88.4992 -61.1798 14.4125 23.2058 -88.4993 23.2057 1.15445 GPRESSAVG: 2100200 0.18921 -60.4543 -87.6577 -61.361 13.4775 19.3663 -89.2343 23.3926 1.9316 TIMING: 2100200 CPU: 6707.55, 0.00799344/step Wall: 6707.55, 0.00799344/step, 6.43871 hours remaining, 241.546875 MB of memory in use. ENERGY: 2100200 4043.5976 20513.7247 14478.1848 253.0506 -203431.2781 2563.6230 0.0000 0.0000 52079.3991 -109499.6983 299.3010 -161579.0974 -109126.3894 299.2632 -18.5966 11.1268 761641.1397 5.1453 5.1994 LDB: ============= START OF LOAD BALANCING ============== 6720.01 LDB: ============== END OF LOAD BALANCING =============== 6720.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6720.01 LDB: ============= START OF LOAD BALANCING ============== 6720.33 LDB: Largest compute 7071 load 0.036099 is 18.5% of average load 0.195174 LDB: Average compute 0.004408 is 2.3% of average load 0.195174 LDB: TIME 6720.33 LOAD: AVG 0.195174 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.367 MB LDB: TIME 6720.33 LOAD: AVG 0.195174 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.367 MB LDB: TIME 6720.33 LOAD: AVG 0.195174 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.367 MB LDB: ============== END OF LOAD BALANCING =============== 6720.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6720.34 PRESSURE: 2100400 193.521 -96.1361 163.184 -96.1359 179.648 -64.3705 163.184 -64.3716 -237.943 GPRESSURE: 2100400 210.585 -155.266 200.827 -71.407 224.643 2.92847 99.3102 88.1488 -216.553 PRESSAVG: 2100400 -3.32278 -78.8743 -22.1022 -78.8743 -33.2291 48.9176 -22.1022 48.9175 0.819554 GPRESSAVG: 2100400 -4.06015 -78.8118 -23.1467 -77.9828 -32.2764 49.6044 -21.2314 50.8915 0.168157 TIMING: 2100400 CPU: 6708.2, 0.00323132/step Wall: 6708.2, 0.00323132/step, 2.60265 hours remaining, 241.046875 MB of memory in use. ENERGY: 2100400 3951.2669 20502.1584 14451.4314 238.6767 -203505.6171 2653.8277 0.0000 0.0000 52086.7939 -109621.4622 299.3435 -161708.2561 -109261.4351 298.9133 45.0751 72.8917 761448.6815 -11.9108 -12.0561 PRESSURE: 2100600 66.7943 -150.177 -73.5182 -150.178 96.8763 -83.1878 -73.5181 -83.1882 -115.493 GPRESSURE: 2100600 142.851 10.0297 -52.4028 -169.591 118.14 -132.637 -46.3809 -113.604 -118.862 PRESSAVG: 2100600 20.0125 -62.0407 -67.2794 -62.0407 -22.1424 2.99472 -67.2794 2.9947 8.40828 GPRESSAVG: 2100600 21.0174 -62.1069 -66.0758 -61.5467 -23.4309 4.67958 -68.6727 0.948824 9.0995 TIMING: 2100600 CPU: 6708.83, 0.00317069/step Wall: 6708.83, 0.00317069/step, 2.55364 hours remaining, 241.250000 MB of memory in use. ENERGY: 2100600 3993.7297 20540.9775 14453.5713 238.3103 -203775.7922 2927.9606 0.0000 0.0000 52011.6744 -109609.5685 298.9118 -161621.2429 -109253.8811 299.0717 16.0594 47.3763 761095.7687 2.0928 2.2287 PRESSURE: 2100800 485.535 -117.545 -19.105 -117.545 147.599 -103.722 -19.1047 -103.721 -266.446 GPRESSURE: 2100800 437.619 -53.1575 -61.6345 -192.723 234.552 -38.3586 -196.365 -9.12677 -254.646 PRESSAVG: 2100800 -64.7236 -42.4063 -45.7248 -42.4063 -7.11968 -5.12232 -45.7248 -5.12233 -24.1835 GPRESSAVG: 2100800 -66.1922 -42.7345 -45.4701 -43.2752 -6.79933 -6.41339 -46.6173 -4.1104 -23.6829 TIMING: 2100800 CPU: 6709.46, 0.00314513/step Wall: 6709.46, 0.00314513/step, 2.53288 hours remaining, 241.250000 MB of memory in use. ENERGY: 2100800 4001.1470 20506.7392 14465.5195 238.1052 -204148.2320 3045.5857 0.0000 0.0000 52323.4103 -109567.7250 300.7034 -161891.1354 -109209.6890 298.8838 122.2294 139.1751 761489.3449 -32.0089 -32.2248 PRESSURE: 2101000 71.1128 56.312 -311.54 56.3119 420.046 -36.0235 -311.539 -36.0243 151.023 GPRESSURE: 2101000 129.905 122.825 -293.524 196.716 318.376 -14.3136 -294.072 24.8405 280.713 PRESSAVG: 2101000 35.4846 -18.486 -50.4491 -18.486 19.9849 14.8974 -50.4491 14.8974 0.178378 GPRESSAVG: 2101000 35.1911 -18.7475 -50.465 -18.7837 20.3159 15.6278 -49.1602 11.1491 0.323062 TIMING: 2101000 CPU: 6710.1, 0.00316865/step Wall: 6710.1, 0.00316865/step, 2.55165 hours remaining, 241.250000 MB of memory in use. ENERGY: 2101000 4009.9710 20704.4467 14412.9267 245.3047 -203513.7372 2759.9767 0.0000 0.0000 51970.4406 -109410.6707 298.6748 -161381.1113 -109046.2611 299.3872 214.0608 242.9982 761777.8928 18.5493 18.6100 PRESSURE: 2101200 191.206 -15.3774 -112.553 -15.3772 -18.8657 43.5417 -112.553 43.5426 -21.1678 GPRESSURE: 2101200 222.381 162.336 -150.537 47.2004 40.3255 15.8033 -17.9253 68.2269 -43.6713 PRESSAVG: 2101200 -8.96322 -82.7612 5.84614 -82.7612 14.322 24.7807 5.84616 24.7807 7.27289 GPRESSAVG: 2101200 -8.11222 -82.1334 5.31408 -80.8517 14.1702 24.631 4.4693 26.3168 6.17626 TIMING: 2101200 CPU: 6710.73, 0.00316496/step Wall: 6710.73, 0.00316496/step, 2.54849 hours remaining, 241.250000 MB of memory in use. ENERGY: 2101200 3967.5467 20551.7475 14473.2225 258.6002 -203608.5037 2839.7311 0.0000 0.0000 52133.0166 -109384.6392 299.6092 -161517.6558 -109011.2480 299.5426 50.3908 73.0118 761554.1692 4.2106 4.0781 PRESSURE: 2101400 -0.0352045 29.6295 -0.359721 29.6298 109.492 216.635 -0.360223 216.636 -265.138 GPRESSURE: 2101400 -1.3817 -83.6501 54.2235 18.1486 114.736 130.375 13.9028 219.022 -179.489 PRESSAVG: 2101400 -28.7543 -39.3044 -49.2075 -39.3044 65.0297 -0.527155 -49.2074 -0.527207 -11.8941 GPRESSAVG: 2101400 -31.1156 -39.6875 -48.7919 -40.0414 65.9792 -1.68302 -47.546 0.404286 -10.5938 TIMING: 2101400 CPU: 6711.37, 0.00318212/step Wall: 6711.37, 0.00318212/step, 2.56213 hours remaining, 241.250000 MB of memory in use. ENERGY: 2101400 4070.1836 20552.3780 14465.6698 265.5117 -203507.2307 2593.7203 0.0000 0.0000 52327.9583 -109231.8091 300.7295 -161559.7674 -108880.0663 299.7074 -51.8937 -22.0451 760387.9123 8.1271 8.0899 PRESSURE: 2101600 118.102 -77.0213 18.8482 -77.021 -18.142 191.512 18.8485 191.512 261.896 GPRESSURE: 2101600 66.8772 -56.7463 22.4047 -73.318 62.8809 146.515 -64.7513 228.484 315.091 PRESSAVG: 2101600 -48.2468 -1.56503 25.635 -1.56502 37.9613 -14.7288 25.635 -14.7288 -3.57381 GPRESSAVG: 2101600 -46.8549 -1.34688 24.9453 -2.98449 38.0796 -13.7137 25.7348 -16.526 -5.18796 TIMING: 2101600 CPU: 6712, 0.0031576/step Wall: 6712, 0.0031576/step, 2.54222 hours remaining, 241.250000 MB of memory in use. ENERGY: 2101600 4033.2362 20724.1994 14507.2012 238.1385 -203613.7143 2719.2680 0.0000 0.0000 52146.7694 -109244.9017 299.6882 -161391.6711 -108894.7630 299.9777 120.6186 148.2830 759151.9200 -4.6198 -4.6544 PRESSURE: 2101800 -378.798 68.7055 -329.672 68.7051 -412.523 -170.413 -329.672 -170.413 200.167 GPRESSURE: 2101800 -270.322 -5.98913 -256.27 102.317 -385.903 -193.414 -296.8 -77.502 169.783 PRESSAVG: 2101800 -16.2802 -30.4911 -48.5561 -30.4911 0.0194089 -27.7784 -48.5561 -27.7784 10.148 GPRESSAVG: 2101800 -16.5087 -32.1057 -47.8593 -29.7028 -0.0743937 -25.8263 -50.3469 -29.2607 10.5491 TIMING: 2101800 CPU: 6712.63, 0.00315003/step Wall: 6712.63, 0.00315003/step, 2.53595 hours remaining, 241.250000 MB of memory in use. ENERGY: 2101800 3993.9173 20624.6846 14496.5005 245.3739 -203211.5016 2656.6271 0.0000 0.0000 52132.3204 -109062.0778 299.6052 -161194.3982 -108703.2637 300.0183 -197.0512 -162.1475 762238.1435 -2.0376 -2.0113 PRESSURE: 2102000 -192.355 -95.6286 -130.768 -95.6285 -1.72838 -31.9754 -130.768 -31.9756 25.2596 GPRESSURE: 2102000 -186.109 -178.924 -82.6873 -149.262 16.3031 -44.7439 -56.9617 -9.12529 85.8475 PRESSAVG: 2102000 -26.1893 -30.4561 -19.3323 -30.4561 18.7722 -19.5368 -19.3323 -19.5368 5.91778 GPRESSAVG: 2102000 -25.1864 -30.0507 -18.7818 -29.6207 18.1995 -21.5518 -18.0512 -18.7945 5.63331 TIMING: 2102000 CPU: 6713.26, 0.00316484/step Wall: 6713.26, 0.00316484/step, 2.5477 hours remaining, 241.250000 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: 2102000 3953.5763 20663.1681 14448.4554 230.7690 -203056.9034 2453.0356 0.0000 0.0000 52265.9992 -109041.8996 300.3734 -161307.8988 -108682.2608 300.5350 -56.2745 -27.9863 762159.8199 -0.4998 -0.4512 PRESSURE: 2102200 -1.39498 -115.085 47.2467 -115.085 3.76677 80.6864 47.2468 80.6861 54.9449 GPRESSURE: 2102200 89.9079 -73.535 -34.8985 -38.0793 -0.486839 86.9915 -33.6067 214.261 56.164 PRESSAVG: 2102200 -24.9753 16.6887 3.6123 16.6886 37.6092 -13.548 3.61231 -13.5479 -0.265028 GPRESSAVG: 2102200 -25.6225 17.5053 2.0139 15.6802 38.7245 -12.394 4.08078 -12.7283 0.0707422 TIMING: 2102200 CPU: 6713.9, 0.00317287/step Wall: 6713.9, 0.00317287/step, 2.55398 hours remaining, 241.250000 MB of memory in use. ENERGY: 2102200 3980.9416 20558.9665 14415.0366 233.8107 -203275.9636 2660.8212 0.0000 0.0000 52483.5709 -108942.8160 301.6238 -161426.3870 -108572.7852 301.0434 19.1056 48.5284 761217.8621 4.1229 4.3909 PRESSURE: 2102400 206.455 216.35 -50.3699 216.349 -69.2414 -72.6175 -50.3699 -72.6175 -11.6408 GPRESSURE: 2102400 258.789 197.242 9.50494 143.61 -62.4633 -77.9536 51.744 -67.1617 42.6945 PRESSAVG: 2102400 57.5464 -10.1532 -54.8043 -10.1532 -8.61862 25.1553 -54.8043 25.1553 -20.5636 GPRESSAVG: 2102400 57.3098 -8.40537 -53.6799 -10.5886 -9.44072 24.2603 -55.6539 25.736 -19.5239 TIMING: 2102400 CPU: 6714.53, 0.003169/step Wall: 6714.53, 0.003169/step, 2.55069 hours remaining, 241.250000 MB of memory in use. ENERGY: 2102400 3971.9269 20608.1442 14481.3786 264.8839 -203162.4959 2726.0639 0.0000 0.0000 52141.6329 -108968.4656 299.6587 -161110.0984 -108605.1224 300.2384 41.8577 79.6735 759826.6298 9.4547 9.4484 PRESSURE: 2102600 -169.712 148.002 -56.6912 148.002 -115.562 51.6023 -56.6907 51.6013 177.28 GPRESSURE: 2102600 -145.245 41.835 -100.086 67.1614 -69.06 37.2484 -60.4323 -53.6825 187.727 PRESSAVG: 2102600 3.6423 -21.2894 -15.9625 -21.2894 10.1768 -39.7364 -15.9624 -39.7364 -16.2842 GPRESSAVG: 2102600 3.77108 -24.0697 -15.917 -18.2264 10.0651 -40.0112 -16.0536 -40.8836 -16.9667 TIMING: 2102600 CPU: 6715.16, 0.00316443/step Wall: 6715.16, 0.00316443/step, 2.54684 hours remaining, 241.250000 MB of memory in use. ENERGY: 2102600 4026.9383 20492.4075 14531.0592 251.3984 -203003.0331 2637.8555 0.0000 0.0000 51992.7289 -109070.6452 298.8029 -161063.3741 -108710.6605 300.4935 -35.9979 -8.8595 760739.3854 -0.8217 -1.0435 PRESSURE: 2102800 54.5898 70.3052 -51.7283 70.3052 -125.563 97.1988 -51.7272 97.1969 173.675 GPRESSURE: 2102800 30.0699 212.142 76.1903 48.8791 -114.594 91.1971 -187.543 177.299 252.279 PRESSAVG: 2102800 12.4617 16.9832 -5.11661 16.9832 14.3237 0.875267 -5.11654 0.875208 2.78263 GPRESSAVG: 2102800 12.0917 16.5886 -4.65083 15.6795 15.6245 0.472199 -5.80927 0.635839 2.65323 TIMING: 2102800 CPU: 6715.79, 0.0031642/step Wall: 6715.79, 0.0031642/step, 2.54648 hours remaining, 241.250000 MB of memory in use. ENERGY: 2102800 4016.3687 20673.9551 14512.7045 231.3574 -203489.1082 2742.4837 0.0000 0.0000 52213.6686 -109098.5703 300.0727 -161312.2388 -108739.9231 299.9883 34.2340 55.9185 760972.1406 9.8560 10.1231 PRESSURE: 2103000 -137.192 -65.6983 -159.641 -65.6986 125.676 198.9 -159.64 198.901 -182.18 GPRESSURE: 2103000 -61.3124 28.1899 -138.984 73.4486 174.987 158.886 -134.367 207.229 -228.024 PRESSAVG: 2103000 -12.1738 14.418 -60.1238 14.418 20.013 48.3519 -60.1238 48.3519 32.9462 GPRESSAVG: 2103000 -11.899 17.7109 -60.7666 14.5435 19.9245 47.4681 -57.8818 50.7182 32.758 TIMING: 2103000 CPU: 6716.43, 0.00316649/step Wall: 6716.43, 0.00316649/step, 2.54814 hours remaining, 241.250000 MB of memory in use. ENERGY: 2103000 3936.4114 20608.3768 14560.9584 240.9725 -203309.0255 2748.0412 0.0000 0.0000 52176.2637 -109038.0014 299.8577 -161214.2652 -108664.3218 300.4532 -64.5651 -38.1165 761737.7988 13.5951 13.5945 PRESSURE: 2103200 42.2789 -116.505 12.8838 -116.506 99.771 46.5607 12.8829 46.5609 -125.117 GPRESSURE: 2103200 97.7283 -65.2149 26.4771 -161.851 73.9973 98.274 -18.8779 62.0763 -79.2261 PRESSAVG: 2103200 19.9068 -6.88013 -41.076 -6.88009 -35.3326 46.0349 -41.0761 46.0349 -12.6779 GPRESSAVG: 2103200 19.4304 -9.09859 -41.3044 -9.29754 -37.1688 48.5757 -42.6124 43.8165 -10.3976 TIMING: 2103200 CPU: 6717.06, 0.00317101/step Wall: 6717.06, 0.00317101/step, 2.55161 hours remaining, 241.250000 MB of memory in use. ENERGY: 2103200 4005.5985 20613.7613 14452.2514 265.8734 -203141.0911 2480.2704 0.0000 0.0000 52164.6947 -109158.6414 299.7912 -161323.3361 -108795.8512 300.2033 5.6443 30.8332 761933.0079 -9.3679 -9.3787 PRESSURE: 2103400 -245.518 45.1723 -99.2407 45.1721 150.885 65.8124 -99.241 65.812 -156.94 GPRESSURE: 2103400 -129.617 76.0984 -196.49 65.3587 174.266 64.7496 -8.06884 75.9051 -211.189 PRESSAVG: 2103400 26.2847 -2.31065 -17.2739 -2.31065 -24.911 14.705 -17.2739 14.705 17.8961 GPRESSAVG: 2103400 27.4555 -1.99342 -17.7062 -1.1187 -23.7202 13.9889 -18.7915 14.0667 15.3372 TIMING: 2103400 CPU: 6717.7, 0.00317421/step Wall: 6717.7, 0.00317421/step, 2.554 hours remaining, 241.250000 MB of memory in use. ENERGY: 2103400 4041.2427 20688.6075 14417.6816 258.3740 -203465.8782 2700.2786 0.0000 0.0000 51938.2719 -109421.4220 298.4900 -161359.6939 -109060.7378 299.5482 -83.8573 -55.5135 762937.9495 6.4233 6.3575 PRESSURE: 2103600 -379.154 5.51665 -126.901 5.51687 -302.99 -42.5159 -126.901 -42.5161 51.3401 GPRESSURE: 2103600 -287.007 78.6075 -141.778 24.8496 -252.85 -47.5344 -68.6783 -19.8382 5.91797 PRESSAVG: 2103600 -10.8363 -4.26003 -28.9673 -4.26003 -4.45078 -28.9341 -28.9672 -28.9341 15.4302 GPRESSAVG: 2103600 -10.7156 -3.80932 -27.7479 -3.08538 -5.32363 -29.1784 -26.5811 -27.7391 16.1964 TIMING: 2103600 CPU: 6718.33, 0.00314149/step Wall: 6718.33, 0.00314149/step, 2.5275 hours remaining, 241.250000 MB of memory in use. ENERGY: 2103600 4033.1749 20651.4397 14422.7845 245.8945 -203424.3022 2842.0306 0.0000 0.0000 52008.1732 -109220.8048 298.8917 -161228.9780 -108864.1778 299.3216 -210.2679 -177.9795 765402.4649 0.0477 0.0524 PRESSURE: 2103800 -233.933 -79.3109 -64.3853 -79.3117 0.921094 124.553 -64.3854 124.554 337.661 GPRESSURE: 2103800 -120.37 -84.8459 -118.276 -16.4156 -8.06455 141.699 -177.946 195.598 311.883 PRESSAVG: 2103800 22.005 -12.5905 19.5181 -12.5905 -46.0822 -32.0778 19.518 -32.0777 -2.85159 GPRESSAVG: 2103800 21.9291 -10.8609 19.0611 -15.096 -45.5307 -30.7321 17.5845 -30.8919 -3.31357 TIMING: 2103800 CPU: 6718.96, 0.00317877/step Wall: 6718.96, 0.00317877/step, 2.55732 hours remaining, 241.250000 MB of memory in use. ENERGY: 2103800 3997.2018 20444.8061 14418.8197 239.1563 -203337.3192 2743.1011 0.0000 0.0000 52367.0190 -109127.2153 300.9540 -161494.2343 -108767.2755 299.9528 34.8831 61.1494 764580.4602 -8.9763 -8.9717 PRESSURE: 2104000 154.91 62.9523 122.396 62.9518 -63.3411 -81.0086 122.397 -81.009 46.1128 GPRESSURE: 2104000 202.819 169.876 202.265 -134.74 64.3261 -109.71 167.06 -60.0884 -40.8606 PRESSAVG: 2104000 28.7856 14.0314 -9.84622 14.0314 -21.1139 -35.2677 -9.84624 -35.2677 -26.2593 GPRESSAVG: 2104000 28.5373 14.1307 -9.18331 14.8281 -19.7487 -37.611 -8.98272 -35.7922 -27.3198 TIMING: 2104000 CPU: 6719.59, 0.00316902/step Wall: 6719.59, 0.00316902/step, 2.5493 hours remaining, 241.250000 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: 2104000 4002.9149 20573.3933 14321.4740 231.2852 -203147.4981 2648.2209 0.0000 0.0000 52231.2973 -109138.9126 300.1740 -161370.2098 -108786.4990 299.5427 45.8940 75.4284 763454.5452 -6.1959 -6.1771 PRESSURE: 2104200 -53.8749 -80.5417 39.8078 -80.5416 -118.747 -110.319 39.8077 -110.318 -212.623 GPRESSURE: 2104200 -72.3052 -12.7317 14.0388 -121.107 -21.8794 -48.5206 39.2635 -21.7975 -217.172 PRESSAVG: 2104200 -0.272956 -36.843 1.25551 -36.843 28.3687 -18.3212 1.25548 -18.3211 13.7628 GPRESSAVG: 2104200 0.195152 -39.5649 0.379985 -36.4841 26.8096 -18.0917 0.547803 -16.0405 15.0027 TIMING: 2104200 CPU: 6720.23, 0.00316391/step Wall: 6720.23, 0.00316391/step, 2.54502 hours remaining, 241.250000 MB of memory in use. ENERGY: 2104200 4048.3349 20630.9721 14469.9848 264.1180 -202917.6685 2536.4161 0.0000 0.0000 51978.5151 -108989.3276 298.7212 -160967.8427 -108621.7429 300.4112 -128.4151 -103.7855 763820.2761 13.9529 14.0025 LDB: ============= START OF LOAD BALANCING ============== 6732.68 LDB: ============== END OF LOAD BALANCING =============== 6732.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6732.68 LDB: ============= START OF LOAD BALANCING ============== 6733 LDB: Largest compute 7070 load 0.036415 is 18.7% of average load 0.195072 LDB: Average compute 0.004409 is 2.3% of average load 0.195072 LDB: TIME 6733 LOAD: AVG 0.195072 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.285 MB LDB: TIME 6733 LOAD: AVG 0.195072 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.488 MB LDB: TIME 6733 LOAD: AVG 0.195072 MAX 0.216045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.488 MB LDB: ============== END OF LOAD BALANCING =============== 6733.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6733.01 PRESSURE: 2104400 -227.673 -202.966 -90.7194 -202.966 -139.995 -30.0886 -90.7205 -30.0876 -212.476 GPRESSURE: 2104400 -327.049 -232.224 -30.0456 -137.619 -24.5891 -110.144 -25.811 61.432 -151.001 PRESSAVG: 2104400 -42.7872 -20.771 -51.9844 -20.771 64.8654 17.66 -51.9844 17.66 -1.27534 GPRESSAVG: 2104400 -43.7337 -20.066 -51.2263 -21.4189 65.8452 17.4267 -52.6125 13.4923 -1.68962 TIMING: 2104400 CPU: 6720.88, 0.00323969/step Wall: 6720.88, 0.00323969/step, 2.60579 hours remaining, 240.296875 MB of memory in use. ENERGY: 2104400 4072.0106 20699.6411 14423.8362 252.3306 -202730.1949 2311.9801 0.0000 0.0000 51943.1163 -109027.2800 298.5178 -160970.3963 -108666.1938 299.7758 -193.3811 -167.5464 766511.4471 6.9343 6.8073 PRESSURE: 2104600 134.573 -30.8186 -50.6737 -30.8194 308.511 92.9252 -50.674 92.9245 138.004 GPRESSURE: 2104600 183.831 30.807 -20.0088 -96.3921 337.6 213.368 -37.7232 3.56856 150.04 PRESSAVG: 2104600 24.6163 -28.4563 -38.5876 -28.4563 -19.0854 16.7556 -38.5877 16.7556 -7.19904 GPRESSAVG: 2104600 24.3613 -29.0882 -40.6697 -27.9719 -20.7037 17.6711 -35.558 18.4714 -5.43064 TIMING: 2104600 CPU: 6721.51, 0.0031838/step Wall: 6721.51, 0.0031838/step, 2.56066 hours remaining, 240.296875 MB of memory in use. ENERGY: 2104600 3972.9522 20579.2162 14424.9226 251.2991 -203279.7828 2881.8945 0.0000 0.0000 52091.8494 -109077.6488 299.3726 -161169.4982 -108712.3697 299.9935 193.6962 223.8239 761811.3062 -0.5561 -0.5910 PRESSURE: 2104800 -39.8992 -56.7424 -64.2876 -56.7416 -3.29573 -143.293 -64.2867 -143.293 -86.4546 GPRESSURE: 2104800 25.6107 0.0575484 -4.55018 57.9523 20.9221 -165.812 -78.0209 -165.102 -89.3786 PRESSAVG: 2104800 19.6719 -13.0493 3.75555 -13.0493 -4.39917 -34.3242 3.7555 -34.3241 11.8472 GPRESSAVG: 2104800 21.1596 -12.6099 3.98787 -12.1597 -4.74093 -34.1264 2.38411 -33.5525 10.6309 TIMING: 2104800 CPU: 6722.15, 0.00317527/step Wall: 6722.15, 0.00317527/step, 2.55363 hours remaining, 240.296875 MB of memory in use. ENERGY: 2104800 3974.2453 20630.1651 14413.5712 266.1089 -203344.9206 2602.5180 0.0000 0.0000 52219.6584 -109238.6537 300.1071 -161458.3121 -108873.0193 300.1576 -43.2165 -14.2819 762260.2591 9.0400 9.0165 PRESSURE: 2105000 124.646 7.16831 -167.517 7.16705 -582.643 175.324 -167.516 175.324 -11.3201 GPRESSURE: 2105000 156.634 62.1037 -218.076 -11.3599 -447.989 165.352 -124.636 -15.4131 -82.6889 PRESSAVG: 2105000 -0.911985 -38.4216 29.1556 -38.4216 -16.8579 -28.5923 29.1556 -28.5923 7.57482 GPRESSAVG: 2105000 -0.794142 -37.3553 28.6309 -38.1454 -16.8457 -29.6476 30.842 -30.9519 7.46992 TIMING: 2105000 CPU: 6722.78, 0.00313848/step Wall: 6722.78, 0.00313848/step, 2.52386 hours remaining, 240.296875 MB of memory in use. ENERGY: 2105000 4002.8195 20562.1738 14383.3024 226.4860 -203053.9691 2518.6638 0.0000 0.0000 52053.3256 -109307.1979 299.1512 -161360.5235 -108943.1569 299.7820 -156.4391 -124.6813 762237.9079 -3.3983 -3.3900 PRESSURE: 2105200 298.67 -232.988 -52.3352 -232.987 -11.888 -45.8709 -52.3356 -45.871 186.485 GPRESSURE: 2105200 258.766 -266.711 -22.5889 -255.715 65.2441 8.33652 -42.0755 -43.7079 221.295 PRESSAVG: 2105200 74.5076 6.17588 4.47502 6.17585 -61.8623 4.74248 4.47501 4.74255 -18.7607 GPRESSAVG: 2105200 72.219 6.31099 6.65237 4.66187 -60.2442 6.11449 3.6545 4.91365 -18.5105 TIMING: 2105200 CPU: 6723.41, 0.00315285/step Wall: 6723.41, 0.00315285/step, 2.53524 hours remaining, 240.296875 MB of memory in use. ENERGY: 2105200 3928.8528 20589.3975 14432.2862 251.7656 -203585.1335 2854.7300 0.0000 0.0000 52417.3584 -109110.7430 301.2433 -161528.1014 -108740.7433 299.6493 157.7555 181.7681 760055.6012 -2.0385 -2.1786 PRESSURE: 2105400 136.827 -95.6359 41.7172 -95.6353 139.28 152.571 41.7171 152.571 -24.7541 GPRESSURE: 2105400 231.672 -89.7575 73.7774 3.53347 73.1258 126.782 -33.5021 268.536 2.05758 PRESSAVG: 2105400 58.5101 -54.6493 48.1847 -54.6493 -32.6975 16.6421 48.1847 16.6421 -3.92448 GPRESSAVG: 2105400 58.4756 -54.3642 47.7853 -52.5694 -32.9184 15.6028 45.818 18.917 -3.64247 TIMING: 2105400 CPU: 6724.04, 0.003176/step Wall: 6724.04, 0.003176/step, 2.55368 hours remaining, 240.296875 MB of memory in use. ENERGY: 2105400 3993.6551 20651.0210 14471.9023 249.6777 -203379.7520 2602.8272 0.0000 0.0000 52107.6489 -109303.0199 299.4634 -161410.6688 -108945.7971 300.1195 83.7840 102.2851 760778.9125 7.2960 7.3049 PRESSURE: 2105600 33.1705 113.44 -288.029 113.441 -88.9793 -80.9357 -288.029 -80.9356 -91.9824 GPRESSURE: 2105600 179.818 -39.0842 -414.466 65.3123 -105.696 -67.8027 -85.6609 -139.083 -131.979 PRESSAVG: 2105600 17.2997 3.63955 20.3121 3.63965 7.94056 -19.8007 20.3121 -19.8006 7.5316 GPRESSAVG: 2105600 18.333 2.89977 19.7233 2.2838 8.30651 -18.7314 21.064 -23.9579 6.36385 TIMING: 2105600 CPU: 6724.67, 0.00316166/step Wall: 6724.67, 0.00316166/step, 2.54197 hours remaining, 240.296875 MB of memory in use. ENERGY: 2105600 4070.5012 20472.3752 14461.8843 243.4587 -202671.0522 2174.8812 0.0000 0.0000 51837.3621 -109410.5896 297.9100 -161247.9518 -109047.0703 299.8784 -49.2637 -19.2858 761421.0383 10.9240 11.0011 PRESSURE: 2105800 155.333 76.5514 86.5407 76.5527 80.0939 -129.711 86.5407 -129.711 177.441 GPRESSURE: 2105800 118.039 183.304 89.2802 37.2987 174.119 -214.921 272.415 -163.36 187.815 PRESSAVG: 2105800 44.4273 8.40425 63.1787 8.40421 -49.5996 13.8792 63.1788 13.8793 -14.6497 GPRESSAVG: 2105800 44.0649 9.94504 63.0212 10.1081 -49.5304 11.8861 65.7433 16.0116 -14.2913 TIMING: 2105800 CPU: 6725.31, 0.00317827/step Wall: 6725.31, 0.00317827/step, 2.55515 hours remaining, 240.296875 MB of memory in use. ENERGY: 2105800 3981.0178 20560.3110 14413.7122 213.6387 -203111.4297 2383.9197 0.0000 0.0000 52299.2082 -109259.6222 300.5643 -161558.8304 -108900.1264 299.3455 137.6225 159.9909 762138.5994 -6.6073 -6.5856 PRESSURE: 2106000 32.2 71.908 -102.507 71.9069 -96.126 148.71 -102.507 148.711 -104.892 GPRESSURE: 2106000 52.5692 -1.57752 -168.255 56.0049 -102.035 249.82 -85.034 90.0028 -37.5493 PRESSAVG: 2106000 80.2675 -7.97226 15.1795 -7.97223 -69.2107 15.7013 15.1794 15.7013 10.2172 GPRESSAVG: 2106000 79.6558 -9.36771 16.5271 -8.45571 -68.7705 18.5191 11.5254 14.708 11.1944 TIMING: 2106000 CPU: 6725.94, 0.00316908/step Wall: 6725.94, 0.00316908/step, 2.54759 hours remaining, 240.296875 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: 2106000 3965.5595 20659.1936 14472.0026 244.4497 -203244.1074 2334.3807 0.0000 0.0000 52405.1983 -109163.3230 301.1734 -161568.5213 -108803.1100 299.8770 -56.2726 -29.0049 760643.9506 7.0913 7.3599 PRESSURE: 2106200 203.445 -36.1251 270.707 -36.1248 9.74065 48.9593 270.708 48.9597 190.225 GPRESSURE: 2106200 251.228 12.9266 305.701 -27.6569 3.86169 15.1102 320.239 -118.476 227.445 PRESSAVG: 2106200 38.2458 -15.3504 42.7536 -15.3504 -40.9624 51.1431 42.7536 51.1431 26.7081 GPRESSAVG: 2106200 37.477 -14.3409 42.5913 -17.1765 -39.8348 48.7627 43.4771 52.6285 25.6412 TIMING: 2106200 CPU: 6726.58, 0.00317321/step Wall: 6726.58, 0.00317321/step, 2.55073 hours remaining, 240.296875 MB of memory in use. ENERGY: 2106200 3970.4414 20547.4082 14445.1755 246.1192 -203200.2671 2536.0416 0.0000 0.0000 52422.8517 -109032.2295 301.2748 -161455.0812 -108668.7881 300.2172 134.4700 160.8449 761034.4505 7.9972 7.7611 PRESSURE: 2106400 -374.516 230.497 88.1503 230.497 -332.816 -158.594 88.1507 -158.594 -533.311 GPRESSURE: 2106400 -349.439 78.2555 140.649 219.827 -285.932 -128.132 8.36424 -88.1827 -502.045 PRESSAVG: 2106400 29.3644 -1.53902 6.48459 -1.53901 -60.0208 10.3557 6.48446 10.3556 -7.83387 GPRESSAVG: 2106400 31.3657 -2.72807 6.36294 -1.28542 -62.0331 10.4145 6.39629 9.95457 -8.39238 TIMING: 2106400 CPU: 6727.21, 0.00318567/step Wall: 6727.21, 0.00318567/step, 2.56057 hours remaining, 240.296875 MB of memory in use. ENERGY: 2106400 4106.7145 20495.1571 14518.7621 256.6854 -202808.6296 2144.9440 0.0000 0.0000 52280.9992 -109005.3675 300.4596 -161286.3667 -108653.9521 300.3213 -413.5479 -379.1388 762013.3743 -12.8301 -13.0199 PRESSURE: 2106600 183.281 -27.4126 327.031 -27.4121 327.992 33.2525 327.031 33.2538 125.71 GPRESSURE: 2106600 175.542 -35.368 252.819 -124.233 427.123 47.5377 267.913 36.3968 116.479 PRESSAVG: 2106600 87.9447 -58.7559 26.6357 -58.7558 -38.8563 1.77492 26.6357 1.77495 -11.6988 GPRESSAVG: 2106600 87.7489 -59.4222 25.3198 -55.8728 -38.9268 2.27218 28.3881 2.05851 -11.7448 TIMING: 2106600 CPU: 6727.85, 0.00317419/step Wall: 6727.85, 0.00317419/step, 2.55116 hours remaining, 240.296875 MB of memory in use. ENERGY: 2106600 4016.1061 20561.9440 14520.4695 237.3471 -203707.1383 2956.7062 0.0000 0.0000 52275.7970 -109138.7684 300.4297 -161414.5653 -108782.8531 300.2977 212.3277 239.7147 760254.3802 12.4632 12.3591 PRESSURE: 2106800 -291.757 -13.6675 -52.5544 -13.6676 -303.215 51.6831 -52.554 51.6822 297.218 GPRESSURE: 2106800 -239.827 84.813 -35.8248 -66.0553 -224.375 15.2469 -77.2813 9.20412 261.757 PRESSAVG: 2106800 16.3451 -14.2012 -5.19072 -14.2012 -30.4378 39.981 -5.1907 39.981 -23.6303 GPRESSAVG: 2106800 16.4565 -13.9058 -4.0466 -15.6996 -30.1071 40.7081 -7.37646 39.3528 -23.7371 TIMING: 2106800 CPU: 6728.48, 0.00317558/step Wall: 6728.48, 0.00317558/step, 2.55211 hours remaining, 240.296875 MB of memory in use. ENERGY: 2106800 3953.7812 20642.1095 14470.2738 264.0378 -203131.3300 2349.2154 0.0000 0.0000 52258.6088 -109193.3035 300.3309 -161451.9123 -108834.3925 300.4298 -99.2512 -67.4819 760865.8032 -12.5743 -12.4626 PRESSURE: 2107000 121.614 -103.057 -155.367 -103.056 -114.893 -113.176 -155.367 -113.175 -138.135 GPRESSURE: 2107000 157.11 -148.685 -78.1309 -67.043 -156.661 -27.1437 -103.899 -65.5746 -59.7741 PRESSAVG: 2107000 72.5316 -29.5478 -2.0313 -29.5478 -57.9046 2.02641 -2.03132 2.02644 42.4271 GPRESSAVG: 2107000 72.8122 -29.3639 -3.12664 -29.3467 -58.0983 0.377836 -0.00997161 5.8684 42.2207 TIMING: 2107000 CPU: 6729.12, 0.00317865/step Wall: 6729.12, 0.00317865/step, 2.5544 hours remaining, 240.296875 MB of memory in use. ENERGY: 2107000 3947.6497 20396.2010 14522.5373 241.2180 -202829.5967 2366.2397 0.0000 0.0000 52151.1327 -109204.6182 299.7133 -161355.7509 -108834.5397 299.6580 -43.8047 -19.7749 761265.6394 19.0180 18.9782 PRESSURE: 2107200 71.7366 121.892 73.9675 121.892 264.457 -111.898 73.9672 -111.897 227.804 GPRESSURE: 2107200 164.562 167.005 88.7741 114.373 295.307 -88.2972 -54.406 -193.66 182.278 PRESSAVG: 2107200 69.9178 -30.4034 -26.4597 -30.4034 -46.6576 -63.875 -26.4597 -63.8749 -29.6283 GPRESSAVG: 2107200 69.2881 -28.6178 -25.8203 -30.9086 -46.2215 -61.1012 -28.6006 -66.6932 -28.8386 TIMING: 2107200 CPU: 6729.75, 0.0031654/step Wall: 6729.75, 0.0031654/step, 2.54358 hours remaining, 240.296875 MB of memory in use. ENERGY: 2107200 4044.4257 20569.6547 14442.9950 240.6407 -203689.5965 2832.8823 0.0000 0.0000 52288.0122 -109270.9860 300.4999 -161558.9982 -108910.6368 299.7155 187.9991 214.0490 762305.9536 -2.1227 -1.9240 PRESSURE: 2107400 -358.81 238.953 -51.5532 238.953 -312.515 63.1954 -51.553 63.1959 -142.452 GPRESSURE: 2107400 -319.491 85.6331 -95.3647 224.565 -245.056 10.7795 63.0871 163.675 -151.586 PRESSAVG: 2107400 34.4076 -29.9064 -17.5541 -29.9064 -2.63089 -12.6179 -17.5541 -12.6179 8.67533 GPRESSAVG: 2107400 32.9168 -29.0339 -17.4986 -29.8979 -1.8635 -14.954 -17.7111 -12.2449 9.40308 TIMING: 2107400 CPU: 6730.39, 0.00316226/step Wall: 6730.39, 0.00316226/step, 2.54088 hours remaining, 240.296875 MB of memory in use. ENERGY: 2107400 4009.1492 20314.4302 14482.8073 259.7645 -203049.8322 2379.6603 0.0000 0.0000 52298.2382 -109305.7825 300.5587 -161604.0207 -108945.4353 299.9666 -271.2588 -238.7112 762823.0555 13.4840 13.4854 PRESSURE: 2107600 -175.163 -17.1415 -281.497 -17.141 -122.275 -100.208 -281.496 -100.207 -24.106 GPRESSURE: 2107600 -80.4725 -162.283 -345.069 -75.7224 -118.318 -82.7938 -244.384 -58.999 -33.3181 PRESSAVG: 2107600 6.88181 1.60249 -38.8054 1.60253 -81.1801 -23.0251 -38.8054 -23.0252 -16.8828 GPRESSAVG: 2107600 7.96309 -0.610335 -38.9802 1.93287 -80.3453 -22.1239 -35.8316 -20.9792 -18.671 TIMING: 2107600 CPU: 6731.02, 0.00315829/step Wall: 6731.02, 0.00315829/step, 2.53751 hours remaining, 240.296875 MB of memory in use. ENERGY: 2107600 3999.0491 20536.9000 14474.5855 263.6737 -203256.1659 2576.9423 0.0000 0.0000 52415.3669 -108989.6484 301.2318 -161405.0153 -108634.2016 300.3175 -107.1814 -77.3695 762702.4909 -30.3937 -30.3511 PRESSURE: 2107800 196.327 87.69 127.552 87.6891 -118.094 2.0048 127.552 2.00354 -32.425 GPRESSURE: 2107800 203.156 76.4007 135.101 118.284 -83.6364 31.2766 3.60388 -16.6317 -6.31185 PRESSAVG: 2107800 91.7481 -14.1453 20.6384 -14.1453 -64.9418 35.0753 20.6384 35.0753 2.85826 GPRESSAVG: 2107800 93.1705 -12.9456 21.7205 -12.038 -66.8666 35.7827 19.3761 34.4986 2.85943 TIMING: 2107800 CPU: 6731.65, 0.00317476/step Wall: 6731.65, 0.00317476/step, 2.55057 hours remaining, 240.296875 MB of memory in use. ENERGY: 2107800 3867.3972 20676.2711 14497.5435 253.2444 -202850.7530 2453.1749 0.0000 0.0000 52301.0597 -108802.0622 300.5749 -161103.1219 -108435.3476 300.6375 15.2693 37.7361 762326.5141 9.8882 9.7211 PRESSURE: 2108000 -508.042 -24.2017 -37.4791 -24.2012 -240.732 4.31345 -37.4787 4.3136 216.195 GPRESSURE: 2108000 -475.599 -157.488 -11.5773 -63.4889 -220.497 -0.60014 -72.5905 -50.6857 256.613 PRESSAVG: 2108000 -0.281716 -71.1289 -29.0503 -71.129 -23.2441 15.5613 -29.0503 15.5614 -23.2577 GPRESSAVG: 2108000 -2.65507 -71.2292 -31.2964 -73.5734 -23.1601 14.5492 -29.4355 13.4869 -21.7451 TIMING: 2108000 CPU: 6732.28, 0.00316005/step Wall: 6732.28, 0.00316005/step, 2.53858 hours remaining, 240.296875 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: 2108000 3945.9478 20771.9543 14516.3656 251.8042 -202832.6755 2248.1759 0.0000 0.0000 52139.0447 -108959.3831 299.6438 -161098.4278 -108597.1497 300.4801 -177.5264 -146.4944 765149.6018 -15.5945 -15.8534 PRESSURE: 2108200 -37.8634 -15.6375 29.754 -15.6372 21.2896 -231.976 29.7544 -231.976 -228.951 GPRESSURE: 2108200 -1.36736 17.7024 81.1865 13.5031 -12.6394 -189.117 -51.3789 -177.444 -153.609 PRESSAVG: 2108200 4.80491 -55.9842 -1.36198 -55.9842 -16.9268 20.3675 -1.36207 20.3675 -2.54705 GPRESSAVG: 2108200 4.19237 -54.7017 -1.05169 -56.5481 -16.6979 19.9982 -2.32533 21.7936 -2.4636 TIMING: 2108200 CPU: 6732.91, 0.00314816/step Wall: 6732.91, 0.00314816/step, 2.52885 hours remaining, 240.296875 MB of memory in use. ENERGY: 2108200 3996.8929 20579.0302 14477.4525 259.5820 -202928.8065 2331.0487 0.0000 0.0000 52274.3821 -109010.4181 300.4216 -161284.8002 -108651.0678 300.6643 -81.8414 -55.8719 762544.9776 -4.8896 -4.9897 LDB: ============= START OF LOAD BALANCING ============== 6745.37 LDB: ============== END OF LOAD BALANCING =============== 6745.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.37 LDB: ============= START OF LOAD BALANCING ============== 6745.68 LDB: Largest compute 7067 load 0.037335 is 19.1% of average load 0.195126 LDB: Average compute 0.004396 is 2.3% of average load 0.195126 LDB: TIME 6745.69 LOAD: AVG 0.195126 MAX 0.216354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 6745.69 LOAD: AVG 0.195126 MAX 0.216354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.27 MB LDB: TIME 6745.69 LOAD: AVG 0.195126 MAX 0.216354 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.27 MB LDB: ============== END OF LOAD BALANCING =============== 6745.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.69 PRESSURE: 2108400 226.401 114.096 -51.3967 114.095 -141.575 -22.768 -51.3966 -22.7676 -118.93 GPRESSURE: 2108400 125.698 30.7225 -80.9973 118.461 75.0877 -28.1774 36.2161 0.50757 -160.589 PRESSAVG: 2108400 59.4547 -41.2898 -31.5614 -41.2898 -39.6739 -35.7159 -31.5614 -35.7159 -8.43051 GPRESSAVG: 2108400 59.095 -41.8301 -31.6857 -41.5735 -37.6472 -34.542 -30.0479 -37.0261 -9.65806 TIMING: 2108400 CPU: 6733.56, 0.00322468/step Wall: 6733.56, 0.00322468/step, 2.59013 hours remaining, 241.320312 MB of memory in use. ENERGY: 2108400 4040.6486 20631.2397 14484.0134 229.8270 -203293.6547 2794.4515 0.0000 0.0000 52145.3192 -108968.1554 299.6799 -161113.4746 -108611.8488 300.1137 -11.3678 13.3989 760633.0577 3.7834 3.9299 PRESSURE: 2108600 -47.2986 -124.107 -55.2879 -124.108 6.3023 -122.792 -55.2887 -122.792 -130.952 GPRESSURE: 2108600 -50.4267 -106.517 -94.5115 -118.514 52.2254 -162.332 -56.7441 -198.808 -92.3624 PRESSAVG: 2108600 81.7623 -6.18179 7.4644 -6.18177 -83.862 34.8146 7.46437 34.8146 40.0103 GPRESSAVG: 2108600 82.7235 -5.92748 8.41113 -5.92526 -84.9354 35.1759 7.12719 34.4148 40.849 TIMING: 2108600 CPU: 6734.19, 0.00314812/step Wall: 6734.19, 0.00314812/step, 2.52846 hours remaining, 241.523438 MB of memory in use. ENERGY: 2108600 4037.8296 20329.8688 14574.6273 241.4413 -203028.0162 2579.8972 0.0000 0.0000 52075.2313 -109189.1206 299.2771 -161264.3519 -108824.1934 300.0870 -57.3160 -30.1879 762280.9482 12.6369 12.8790 PRESSURE: 2108800 92.6449 211.005 -137.391 211.005 -95.6496 40.2197 -137.391 40.2194 243.745 GPRESSURE: 2108800 160.278 146.484 -142.355 135.787 -80.3571 46.9619 -143.58 40.2059 246.483 PRESSAVG: 2108800 54.2453 -5.23093 -6.13822 -5.23091 -14.4929 27.3683 -6.13818 27.3682 -9.66997 GPRESSAVG: 2108800 55.7432 -6.21474 -6.7999 -5.71274 -14.9382 24.9696 -4.79154 30.3454 -11.0378 TIMING: 2108800 CPU: 6734.82, 0.00316255/step Wall: 6734.82, 0.00316255/step, 2.53988 hours remaining, 241.523438 MB of memory in use. ENERGY: 2108800 3980.0298 20525.9904 14484.6802 245.8616 -203183.6791 2726.3814 0.0000 0.0000 52219.9304 -109000.8054 300.1087 -161220.7357 -108642.2551 300.1571 80.2468 108.8012 761619.1593 10.0275 9.9224 PRESSURE: 2109000 14.3269 -163.271 98.8272 -163.27 339.03 -108.96 98.8274 -108.959 90.4158 GPRESSURE: 2109000 48.1026 -130.066 57.3889 -90.4156 394.684 -91.9818 56.5397 -190.579 88.4897 PRESSAVG: 2109000 0.739987 2.86812 20.1024 2.8681 -2.06446 18.2203 20.1024 18.2202 -2.68883 GPRESSAVG: 2109000 -0.914574 3.1013 20.0791 6.20664 -2.14244 18.5786 18.8004 17.6415 -1.42398 TIMING: 2109000 CPU: 6735.45, 0.00315516/step Wall: 6735.45, 0.00315516/step, 2.53377 hours remaining, 241.523438 MB of memory in use. ENERGY: 2109000 3967.2079 20691.6594 14478.2796 240.0479 -203491.3956 2757.5615 0.0000 0.0000 52369.9850 -108986.6543 300.9710 -161356.6393 -108633.1500 299.9852 147.9242 177.0921 761558.5740 -1.3378 -1.4937 PRESSURE: 2109200 179.867 -108.154 -43.2371 -108.155 285.154 -197.917 -43.2364 -197.917 1.13823 GPRESSURE: 2109200 146.417 -115.53 -70.7279 -120.274 333.698 -158.01 33.8935 -179.76 56.797 PRESSAVG: 2109200 19.509 -41.2466 -6.18794 -41.2466 -40.7444 7.07907 -6.18797 7.07914 17.8545 GPRESSAVG: 2109200 20.8587 -39.3255 -5.61266 -42.5142 -40.7537 8.20776 -6.36314 5.27414 16.2941 TIMING: 2109200 CPU: 6736.08, 0.00314821/step Wall: 6736.08, 0.00314821/step, 2.52801 hours remaining, 241.523438 MB of memory in use. ENERGY: 2109200 3981.7281 20625.6663 14495.5873 248.3598 -203723.8022 3013.3147 0.0000 0.0000 52417.7447 -108941.4012 301.2455 -161359.1459 -108586.4464 300.5798 155.3865 178.9707 763624.7336 -1.1269 -1.2003 PRESSURE: 2109400 -142.832 44.2609 -107.279 44.2606 -271.335 134.807 -107.28 134.808 88.7558 GPRESSURE: 2109400 -39.2893 9.04694 -70.6645 -2.01695 -293.795 122.472 -186.886 125.004 87.7992 PRESSAVG: 2109400 60.1869 22.5551 -58.403 22.5551 -45.5025 48.3406 -58.403 48.3406 -10.599 GPRESSAVG: 2109400 58.995 18.8513 -57.8772 24.4738 -45.4608 48.6017 -57.8962 46.9893 -9.63456 TIMING: 2109400 CPU: 6736.72, 0.0031672/step Wall: 6736.72, 0.0031672/step, 2.54308 hours remaining, 241.523438 MB of memory in use. ENERGY: 2109400 3957.8580 20538.6698 14452.5660 245.6594 -203188.7245 2478.1704 0.0000 0.0000 52402.5184 -109113.2825 301.1580 -161515.8009 -108743.8525 300.6666 -108.4704 -81.7618 762718.2449 1.3618 1.2999 PRESSURE: 2109600 175.762 -149.352 -91.1771 -149.353 -340.652 -10.6874 -91.1774 -10.6878 267.245 GPRESSURE: 2109600 111.434 -82.1158 1.40923 -75.1757 -215.808 -33.5216 -76.3579 139.861 291.578 PRESSAVG: 2109600 96.8504 -6.9977 -47.785 -6.99776 -98.5954 2.84744 -47.785 2.84744 -6.14813 GPRESSAVG: 2109600 96.554 -5.244 -48.1872 -6.53897 -99.3492 1.26829 -50.8499 5.29527 -5.00337 TIMING: 2109600 CPU: 6737.35, 0.00316711/step Wall: 6737.35, 0.00316711/step, 2.54284 hours remaining, 241.523438 MB of memory in use. ENERGY: 2109600 3995.2931 20603.2026 14517.7280 259.6443 -203484.5305 2807.2345 0.0000 0.0000 52192.6059 -109108.8222 299.9516 -161301.4280 -108750.5409 300.1231 34.1181 62.4015 762452.0438 -2.6311 -2.5995 PRESSURE: 2109800 7.66166 265.148 -85.6463 265.148 224.409 126.26 -85.6467 126.26 575.888 GPRESSURE: 2109800 92.4588 236.658 -182.551 186.688 203.967 132.538 38.6434 129.704 595.612 PRESSAVG: 2109800 28.2544 -36.2358 12.3202 -36.2358 -43.7269 -20.1446 12.3202 -20.1446 19.6455 GPRESSAVG: 2109800 27.3148 -34.6372 12.1827 -39.3306 -42.8433 -18.9373 15.1259 -20.1506 19.2894 TIMING: 2109800 CPU: 6737.98, 0.00314096/step Wall: 6737.98, 0.00314096/step, 2.52167 hours remaining, 241.523438 MB of memory in use. ENERGY: 2109800 3975.0978 20581.3008 14541.2130 259.5175 -203899.9777 2933.4127 0.0000 0.0000 52212.6454 -109396.7907 300.0668 -161609.4360 -109031.1436 300.1321 269.3194 297.3459 760765.0535 1.3910 1.2536 PRESSURE: 2110000 -344.408 131.722 -142.024 131.722 -333.687 -54.6394 -142.024 -54.6399 -212.194 GPRESSURE: 2110000 -278.219 83.6446 -165.121 222.966 -340.227 -23.0739 -215.32 77.0808 -191.336 PRESSAVG: 2110000 71.5611 45.48 13.7767 45.48 -56.4814 25.5108 13.7767 25.5108 -40.734 GPRESSAVG: 2110000 73.5903 42.0515 14.3481 47.9643 -57.9686 24.3718 13.0611 25.7677 -41.3771 TIMING: 2110000 CPU: 6738.61, 0.00316456/step Wall: 6738.61, 0.00316456/step, 2.54044 hours remaining, 241.523438 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: 2110000 4027.4196 20690.6157 14528.4435 261.0114 -203424.5414 2421.3091 0.0000 0.0000 52057.3287 -109438.4134 299.1742 -161495.7421 -109073.2596 300.0654 -296.7628 -269.9273 761225.3839 -8.5514 -8.5851 PRESSURE: 2110200 -11.1593 -64.9765 235.836 -64.9759 -1.59028 43.2363 235.835 43.2365 68.9527 GPRESSURE: 2110200 -27.0115 -101.825 210.513 42.9419 30.8204 -55.6708 320.647 -76.3846 140.706 PRESSAVG: 2110200 24.8611 -4.63812 -0.897505 -4.63805 -33.6925 28.7888 -0.897486 28.7887 2.06483 GPRESSAVG: 2110200 24.4527 -3.4304 -1.77712 -5.38985 -33.7211 28.7412 -1.20329 27.8062 2.32676 TIMING: 2110200 CPU: 6739.24, 0.00316865/step Wall: 6739.24, 0.00316865/step, 2.54355 hours remaining, 241.523438 MB of memory in use. ENERGY: 2110200 4060.3486 20619.6777 14479.4801 236.7217 -203761.5467 2809.0429 0.0000 0.0000 52029.9204 -109526.3553 299.0167 -161556.2757 -109164.4515 299.4458 18.7344 48.1716 761980.8121 -2.2555 -2.3139 PRESSURE: 2110400 -18.1439 -161.7 -87.0582 -161.7 -187.055 79.1193 -87.0578 79.1199 -168.569 GPRESSURE: 2110400 10.4533 -134.626 -153.03 -107.258 -35.3645 94.8436 66.4654 50.7713 -246.542 PRESSAVG: 2110400 36.9116 -32.5865 -37.5056 -32.5866 -22.605 -30.1998 -37.5055 -30.1999 5.88892 GPRESSAVG: 2110400 36.7104 -31.0612 -36.9307 -33.6029 -21.9732 -29.1225 -37.8364 -29.8708 5.22716 TIMING: 2110400 CPU: 6739.87, 0.0031458/step Wall: 6739.87, 0.0031458/step, 2.52503 hours remaining, 241.523438 MB of memory in use. ENERGY: 2110400 4038.8924 20647.4514 14495.8467 259.7950 -203688.6883 2671.2904 0.0000 0.0000 52006.4834 -109568.9291 298.8820 -161575.4124 -109201.2969 299.6490 -124.5893 -90.4844 762638.5777 6.7318 6.6548 PRESSURE: 2110600 -17.8961 -171.899 -259.514 -171.9 -336.212 -168.444 -259.514 -168.445 242.628 GPRESSURE: 2110600 74.6049 -195.223 -215.307 -165.65 -280.113 -107.025 -267.235 -73.2832 186.831 PRESSAVG: 2110600 4.6997 -8.35243 -8.24954 -8.35235 29.2247 -27.9272 -8.24957 -27.9272 10.3479 GPRESSAVG: 2110600 4.10329 -9.29095 -9.99393 -8.21763 31.1978 -27.7576 -6.77206 -27.7698 9.7089 TIMING: 2110600 CPU: 6740.5, 0.00314985/step Wall: 6740.5, 0.00314985/step, 2.52811 hours remaining, 241.523438 MB of memory in use. ENERGY: 2110600 4052.3114 20469.9773 14536.2753 245.5519 -203743.2741 2675.4831 0.0000 0.0000 52187.0446 -109576.6305 299.9197 -161763.6751 -109209.8386 299.5536 -37.1599 -6.2257 761942.0894 14.7574 15.0033 PRESSURE: 2110800 60.5944 49.8607 -131.928 49.8613 54.0895 258.135 -131.928 258.135 -186.724 GPRESSURE: 2110800 2.95048 111.517 -29.6151 -80.3647 169.906 260.398 -104.887 176.718 -160.237 PRESSAVG: 2110800 64.8222 -61.5903 -35.5112 -61.5903 -34.2414 25.7674 -35.5112 25.7675 28.0593 GPRESSAVG: 2110800 65.1272 -60.7996 -33.0134 -63.5898 -36.6665 25.7296 -36.1009 24.7092 29.619 TIMING: 2110800 CPU: 6741.13, 0.00315288/step Wall: 6741.13, 0.00315288/step, 2.53036 hours remaining, 241.523438 MB of memory in use. ENERGY: 2110800 3992.6872 20641.5987 14476.5688 250.4717 -203767.7044 2657.1114 0.0000 0.0000 52127.8645 -109621.4022 299.5796 -161749.2666 -109264.2571 299.3642 -24.0134 4.2064 761556.4779 19.5467 19.3599 PRESSURE: 2111000 -100.361 148.711 9.42792 148.71 -60.524 102.727 9.42825 102.726 -240.892 GPRESSURE: 2111000 -59.5438 216.642 -87.3892 89.9424 12.4409 31.6657 -22.9244 31.0814 -266.712 PRESSAVG: 2111000 -21.1745 -0.344192 -59.5928 -0.344195 -1.88388 29.1928 -59.5929 29.1928 18.1901 GPRESSAVG: 2111000 -21.1463 -0.386376 -60.8899 2.60783 -1.51456 28.8848 -59.9208 27.496 17.505 TIMING: 2111000 CPU: 6741.77, 0.00319234/step Wall: 6741.77, 0.00319234/step, 2.56185 hours remaining, 241.523438 MB of memory in use. ENERGY: 2111000 3948.5186 20573.0693 14433.4520 258.0921 -203580.5290 2642.9938 0.0000 0.0000 52249.8342 -109474.5690 300.2805 -161724.4032 -109116.7760 299.2874 -133.9257 -104.6050 762442.0448 -1.6228 -1.7186 PRESSURE: 2111200 264.304 -189.248 51.9389 -189.248 -167.884 151.279 51.9381 151.279 40.7291 GPRESSURE: 2111200 272.242 -264.6 32.1021 -95.9326 2.50058 196.309 -42.7158 185.292 -36.1667 PRESSAVG: 2111200 20.5941 -50.8567 -40.5258 -50.8567 -24.6634 36.0873 -40.5258 36.0873 -39.0852 GPRESSAVG: 2111200 19.8808 -50.9547 -37.8559 -51.8932 -24.5279 37.198 -43.1139 38.4479 -38.7179 TIMING: 2111200 CPU: 6742.41, 0.00316711/step Wall: 6742.41, 0.00316711/step, 2.54143 hours remaining, 241.523438 MB of memory in use. ENERGY: 2111200 4036.1642 20582.0607 14451.5467 246.3765 -203685.3977 2681.2715 0.0000 0.0000 52213.3119 -109474.6662 300.0706 -161687.9780 -109121.4755 299.5607 45.7163 79.5254 760687.3635 -14.3848 -14.4550 PRESSURE: 2111400 59.7649 215.811 -246.237 215.811 -153.264 -68.8276 -246.237 -68.8274 86.8342 GPRESSURE: 2111400 12.1031 194.28 -179.748 259.329 -54.6958 -99.2797 -111.95 -103.556 115.855 PRESSAVG: 2111400 63.3964 -41.773 -11.1625 -41.7729 -45.3545 48.5246 -11.1625 48.5246 23.2083 GPRESSAVG: 2111400 62.5458 -41.4542 -12.7482 -40.4935 -45.5364 47.9663 -8.27839 47.6429 22.8788 TIMING: 2111400 CPU: 6743.04, 0.00316586/step Wall: 6743.04, 0.00316586/step, 2.54025 hours remaining, 241.523438 MB of memory in use. ENERGY: 2111400 3954.0932 20632.7166 14475.5891 240.2971 -203782.4064 2835.0333 0.0000 0.0000 51987.3275 -109657.3496 298.7719 -161644.6771 -109292.6759 299.6440 -2.2216 24.4208 761290.2411 13.7500 13.2961 PRESSURE: 2111600 219.027 84.7687 127.836 84.769 -74.8273 -48.9232 127.835 -48.9228 -41.2515 GPRESSURE: 2111600 236.612 91.1101 130.786 -7.29298 -34.6008 6.18798 120.739 11.3603 -16.2233 PRESSAVG: 2111600 67.6603 -23.1918 -32.5009 -23.1918 -63.906 6.66668 -32.5009 6.66664 1.07656 GPRESSAVG: 2111600 67.9634 -20.9159 -32.5959 -25.6916 -64.6334 6.65858 -33.5251 6.56565 1.50622 TIMING: 2111600 CPU: 6743.68, 0.00318563/step Wall: 6743.68, 0.00318563/step, 2.55594 hours remaining, 241.523438 MB of memory in use. ENERGY: 2111600 4100.0590 20694.1298 14374.4851 245.9671 -203294.8747 2375.2293 0.0000 0.0000 52166.8530 -109338.1513 299.8036 -161505.0043 -108977.0262 298.8378 34.3161 61.9294 761237.1334 1.6103 1.6121 PRESSURE: 2111800 -318.053 -112.549 -170.7 -112.55 -299.435 -106.476 -170.7 -106.477 23.7393 GPRESSURE: 2111800 -258.636 -130.243 -233.855 -76.5803 -217.159 -96.6495 -231.251 -57.0741 -32.5506 PRESSAVG: 2111800 74.7064 -21.1048 -66.0835 -21.1047 -72.9832 -23.7411 -66.0834 -23.7412 -6.99786 GPRESSAVG: 2111800 76.0715 -24.3312 -65.231 -19.729 -72.9002 -25.604 -65.5775 -20.8277 -8.32071 TIMING: 2111800 CPU: 6744.31, 0.00317316/step Wall: 6744.31, 0.00317316/step, 2.54576 hours remaining, 241.523438 MB of memory in use. ENERGY: 2111800 4008.5518 20412.3171 14498.3266 243.1566 -203353.1750 2507.4839 0.0000 0.0000 52198.1428 -109485.1962 299.9834 -161683.3390 -109117.3586 299.7272 -197.9162 -169.4487 760214.9075 -1.7582 -1.7165 PRESSURE: 2112000 180.081 -232.034 -105.326 -232.033 12.6777 -25.9446 -105.326 -25.9457 -184.303 GPRESSURE: 2112000 124.698 -261.033 -48.1733 -284.187 148.841 34.2734 -59.1172 -126.498 -196.265 PRESSAVG: 2112000 -19.4606 -30.1005 -37.1453 -30.1004 5.65704 13.3991 -37.1453 13.399 -13.4633 GPRESSAVG: 2112000 -21.7452 -30.4874 -37.527 -28.5231 6.64542 15.4713 -37.5399 10.395 -12.3509 TIMING: 2112000 CPU: 6744.94, 0.00316958/step Wall: 6744.94, 0.00316958/step, 2.54271 hours remaining, 241.523438 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: 2112000 3925.2627 20594.9468 14496.1973 239.9655 -203302.6525 2687.0266 0.0000 0.0000 51979.2754 -109379.9781 298.7256 -161359.2536 -109008.0656 299.4899 2.8186 25.7581 761974.9396 -9.0890 -9.1502 PRESSURE: 2112200 340.678 -9.63104 -47.3861 -9.63062 -169.254 -94.259 -47.3854 -94.2581 -253.313 GPRESSURE: 2112200 295.273 -97.3233 42.7799 7.86222 -85.7156 -113.476 -37.7933 -23.8499 -207.796 PRESSAVG: 2112200 16.9622 -63.5343 -29.8587 -63.5344 19.6309 -13.6649 -29.8587 -13.6649 -19.9293 GPRESSAVG: 2112200 16.4899 -61.4571 -31.4005 -64.7837 19.3571 -14.6853 -28.5064 -12.2264 -18.9764 TIMING: 2112200 CPU: 6745.58, 0.00318067/step Wall: 6745.58, 0.00318067/step, 2.55143 hours remaining, 241.523438 MB of memory in use. ENERGY: 2112200 3943.5685 20496.4054 14439.5501 253.4080 -203306.0586 2641.3530 0.0000 0.0000 51957.1705 -109574.6031 298.5986 -161531.7736 -109211.8794 299.1400 -27.2964 0.5870 762393.7729 5.5546 5.6235 LDB: ============= START OF LOAD BALANCING ============== 6758.03 LDB: ============== END OF LOAD BALANCING =============== 6758.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6758.04 LDB: ============= START OF LOAD BALANCING ============== 6758.36 LDB: Largest compute 7071 load 0.035257 is 18.1% of average load 0.195252 LDB: Average compute 0.004398 is 2.3% of average load 0.195252 LDB: TIME 6758.36 LOAD: AVG 0.195252 MAX 0.220339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.07 MB LDB: TIME 6758.36 LOAD: AVG 0.195252 MAX 0.220339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.141 MB LDB: TIME 6758.36 LOAD: AVG 0.195252 MAX 0.213554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.141 MB LDB: ============== END OF LOAD BALANCING =============== 6758.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6758.37 PRESSURE: 2112400 -301.666 -251.72 76.9585 -251.72 -374.317 163.155 76.9588 163.156 -34.2103 GPRESSURE: 2112400 -334.852 -227.676 117.588 -169.472 -272.055 192.919 -4.78577 155.79 -38.0885 PRESSAVG: 2112400 28.4043 -36.9816 -11.7321 -36.9816 5.0926 -9.20447 -11.7321 -9.2044 -9.77828 GPRESSAVG: 2112400 29.6883 -37.0333 -10.5508 -35.6286 5.30274 -7.27989 -11.507 -9.39995 -11.076 TIMING: 2112400 CPU: 6746.23, 0.00325476/step Wall: 6746.23, 0.00325476/step, 2.61068 hours remaining, 240.039062 MB of memory in use. ENERGY: 2112400 4039.1640 20537.9799 14416.0617 234.7378 -203124.6191 2358.7497 0.0000 0.0000 52074.9524 -109462.9735 299.2755 -161537.9259 -109102.4789 298.8914 -236.7310 -214.9987 762985.4327 7.9062 7.9717 PRESSURE: 2112600 369.717 -33.7545 86.8768 -33.7544 232.756 -61.2975 86.877 -61.2985 70.8142 GPRESSURE: 2112600 407.365 -23.8876 47.059 -82.7798 173.357 18.8763 -60.7064 -128.877 178.164 PRESSAVG: 2112600 -15.7702 -42.8013 -22.1029 -42.8014 4.79193 -23.2893 -22.1029 -23.2894 21.2748 GPRESSAVG: 2112600 -14.4118 -44.7991 -24.6746 -43.228 2.83799 -23.6904 -22.8425 -24.6569 22.2191 TIMING: 2112600 CPU: 6746.87, 0.00320113/step Wall: 6746.87, 0.00320113/step, 2.56748 hours remaining, 240.242188 MB of memory in use. ENERGY: 2112600 3934.3592 20529.6340 14540.6577 223.9597 -203265.0859 2497.0750 0.0000 0.0000 51889.2827 -109650.1176 298.2084 -161539.4003 -109287.2939 298.9549 224.4291 252.9618 760364.3652 3.4322 3.5484 PRESSURE: 2112800 113.979 -156.772 231.733 -156.773 15.1076 73.9372 231.732 73.9375 -241.675 GPRESSURE: 2112800 104.635 -129.083 204.374 -184.031 137.502 98.0468 238.616 105.13 -279.311 PRESSAVG: 2112800 27.739 21.2082 31.1934 21.2081 -34.8905 -8.99861 31.1935 -8.99866 8.13823 GPRESSAVG: 2112800 26.7309 23.2187 32.6506 20.8197 -33.8123 -8.90316 29.1899 -8.07427 7.90171 TIMING: 2112800 CPU: 6747.51, 0.00321824/step Wall: 6747.51, 0.00321825/step, 2.58103 hours remaining, 240.242188 MB of memory in use. ENERGY: 2112800 3995.0979 20498.6687 14424.9137 240.1246 -203323.1686 2461.8589 0.0000 0.0000 52036.8228 -109665.6820 299.0563 -161702.5048 -109301.9469 298.5342 -37.5295 -12.3912 760350.9289 0.3289 0.2734 PRESSURE: 2113000 103.378 -7.65531 -48.3991 -7.65573 54.099 112.593 -48.4006 112.593 1.68897 GPRESSURE: 2113000 51.9412 99.02 3.82999 -88.0419 83.6836 67.6611 155.879 131.562 92.2682 PRESSAVG: 2113000 -25.2863 -66.9719 12.8618 -66.9719 20.5302 45.2053 12.8619 45.2053 1.99016 GPRESSAVG: 2113000 -24.4823 -69.1395 14.3678 -67.9594 19.9171 45.6058 15.1722 45.3379 2.40928 TIMING: 2113000 CPU: 6748.16, 0.00320346/step Wall: 6748.16, 0.00320346/step, 2.569 hours remaining, 240.242188 MB of memory in use. ENERGY: 2113000 3965.7087 20571.4858 14446.4483 247.8294 -203449.2951 2683.7910 0.0000 0.0000 52049.6471 -109484.3848 299.1300 -161534.0319 -109119.2249 299.0481 53.0552 75.9643 759509.7733 -0.9220 -0.7186 PRESSURE: 2113200 340.629 -113.813 -9.30653 -113.814 -441.38 67.7945 -9.30596 67.7944 338.565 GPRESSURE: 2113200 355.661 -112.729 23.1744 7.13381 -389.214 96.8071 63.2559 -56.9289 333.462 PRESSAVG: 2113200 22.1484 -56.2073 3.73018 -56.2073 -29.5691 12.1676 3.73014 12.1675 9.46784 GPRESSAVG: 2113200 21.7129 -54.5186 2.42681 -55.4481 -28.6545 12.9488 4.41242 9.13898 8.51714 TIMING: 2113200 CPU: 6748.79, 0.00319118/step Wall: 6748.79, 0.00319118/step, 2.55897 hours remaining, 240.242188 MB of memory in use. ENERGY: 2113200 3979.0211 20738.9184 14452.6591 235.3424 -203327.6667 2553.1755 0.0000 0.0000 51962.7253 -109405.8249 298.6305 -161368.5502 -109053.2618 299.7933 79.2710 99.9693 759598.3275 0.6824 0.5252 PRESSURE: 2113400 -17.0799 -293.543 -27.8384 -293.543 -125.552 14.5148 -27.8386 14.5147 593.088 GPRESSURE: 2113400 66.4172 -235.375 -12.8944 -295.894 -155.868 53.0454 -168.181 -84.3852 597.943 PRESSAVG: 2113400 57.4884 -91.8187 -43.8095 -91.8188 -62.3844 0.404706 -43.8095 0.404765 -10.5065 GPRESSAVG: 2113400 57.2303 -91.2816 -42.2694 -93.2132 -61.5721 -2.27818 -46.7661 2.44462 -10.7989 TIMING: 2113400 CPU: 6749.43, 0.00320344/step Wall: 6749.43, 0.00320344/step, 2.56863 hours remaining, 240.242188 MB of memory in use. ENERGY: 2113400 3931.9304 20585.3573 14431.7755 231.2060 -203095.3435 2409.2915 0.0000 0.0000 52266.2025 -109239.5802 300.3746 -161505.7827 -108866.8241 299.5716 150.1520 169.4973 762099.3592 -5.1342 -5.0469 PRESSURE: 2113600 -326.045 27.2055 -116.351 27.2054 70.4159 101.937 -116.351 101.938 306.466 GPRESSURE: 2113600 -147.752 -48.893 -121.754 28.4465 17.4265 133.072 -46.0322 -16.568 262.928 PRESSAVG: 2113600 -2.2772 -17.546 -35.561 -17.546 35.3111 -12.8643 -35.561 -12.8643 14.6285 GPRESSAVG: 2113600 -3.3486 -16.1266 -36.4021 -17.5734 35.0473 -11.145 -34.03 -14.2823 15.8446 TIMING: 2113600 CPU: 6750.07, 0.00318745/step Wall: 6750.07, 0.00318745/step, 2.55563 hours remaining, 240.242188 MB of memory in use. ENERGY: 2113600 3978.0361 20631.7773 14554.4546 233.7045 -202911.3403 2471.6236 0.0000 0.0000 51869.7803 -109171.9639 298.0963 -161041.7442 -108820.4449 299.6914 16.9455 44.2008 761688.9386 15.8875 15.8478 PRESSURE: 2113800 -8.54578 -118.838 70.6202 -118.838 139.804 -288.416 70.6203 -288.417 -349.2 GPRESSURE: 2113800 7.43788 -114.629 55.2163 -159.458 157.088 -276.048 119.747 -237.129 -288.894 PRESSAVG: 2113800 16.1683 17.1057 1.26394 17.1057 -72.767 35.5418 1.26398 35.5418 -16.0546 GPRESSAVG: 2113800 17.0089 15.1138 -0.246109 18.0015 -73.8127 35.7085 2.73812 35.4451 -15.657 TIMING: 2113800 CPU: 6750.71, 0.00316652/step Wall: 6750.71, 0.00316652/step, 2.53867 hours remaining, 240.242188 MB of memory in use. ENERGY: 2113800 4066.2889 20541.3370 14467.7960 253.4531 -203233.1684 2527.0038 0.0000 0.0000 52104.9520 -109272.3376 299.4479 -161377.2896 -108903.7252 299.4704 -72.6473 -41.4563 761526.3886 -24.2178 -24.1536 PRESSURE: 2114000 -207.562 -41.7362 84.5559 -41.7356 146.909 186.616 84.5561 186.615 122.632 GPRESSURE: 2114000 -249.657 -17.2337 -27.3718 -108.454 143.936 238.355 -85.9561 87.7992 235.485 PRESSAVG: 2114000 -21.338 -31.9951 41.0396 -31.995 15.1551 -17.3895 41.0397 -17.3896 21.3446 GPRESSAVG: 2114000 -20.8354 -33.5715 42.4649 -31.9402 14.8815 -17.4106 39.2031 -15.312 21.2173 TIMING: 2114000 CPU: 6751.34, 0.00317004/step Wall: 6751.34, 0.00317004/step, 2.54132 hours remaining, 240.242188 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: 2114000 4013.1856 20602.5168 14407.9842 253.5039 -203256.1574 2768.1011 0.0000 0.0000 51978.0602 -109232.8055 298.7186 -161210.8657 -108874.3469 299.6671 20.6596 43.2546 762277.1242 5.0539 5.0878 PRESSURE: 2114200 -175.81 -27.3075 61.2846 -27.3073 -59.5361 17.1011 61.2849 17.1004 54.5516 GPRESSURE: 2114200 -114.794 62.7098 -5.03375 -47.5598 7.41691 -90.8174 154.995 53.9037 12.5335 PRESSAVG: 2114200 -51.7533 -19.653 -2.71258 -19.653 7.3279 3.0895 -2.71261 3.08947 -13.1716 GPRESSAVG: 2114200 -51.7453 -19.1125 -3.54522 -18.4644 7.55066 2.43026 -3.48309 -0.108305 -13.0668 TIMING: 2114200 CPU: 6751.97, 0.00317263/step Wall: 6751.97, 0.00317263/step, 2.54321 hours remaining, 240.242188 MB of memory in use. ENERGY: 2114200 3983.5591 20538.9866 14472.5953 243.2971 -203502.1803 2622.9189 0.0000 0.0000 52403.7961 -109237.0273 301.1653 -161640.8234 -108870.5604 299.9767 -60.2650 -31.6145 761593.8032 -19.1990 -19.0871 PRESSURE: 2114400 98.9244 137.458 115.881 137.458 -9.45843 -371.191 115.881 -371.191 237.353 GPRESSURE: 2114400 117.626 138.416 61.4462 178.267 83.6167 -389.743 155.575 -294.284 202.652 PRESSAVG: 2114400 2.61083 -9.91462 29.4339 -9.91463 -2.65865 -57.6095 29.4339 -57.6095 -34.1382 GPRESSAVG: 2114400 0.876408 -8.95218 29.7251 -11.1627 -1.1964 -57.889 30.9591 -55.2554 -33.7175 TIMING: 2114400 CPU: 6752.61, 0.00318695/step Wall: 6752.61, 0.00318695/step, 2.55451 hours remaining, 240.242188 MB of memory in use. ENERGY: 2114400 3970.6531 20626.7801 14393.0138 230.1210 -203275.5858 2694.1184 0.0000 0.0000 52080.4106 -109280.4889 299.3068 -161360.8995 -108921.0324 299.6435 108.9395 134.6316 760790.5494 -11.3953 -11.3458 PRESSURE: 2114600 -40.9027 150.43 -87.0362 150.43 57.9273 91.1609 -87.0367 91.1608 14.9001 GPRESSURE: 2114600 43.5729 96.6533 -60.1574 178.841 73.0978 147.229 -168.845 197.287 -16.6304 PRESSAVG: 2114600 41.3915 23.1679 -4.65126 23.1679 -32.3614 12.1988 -4.65123 12.1988 41.5825 GPRESSAVG: 2114600 43.4607 23.4941 -2.79985 22.568 -33.8943 13.4292 -5.68649 11.9176 41.4237 TIMING: 2114600 CPU: 6753.25, 0.00319795/step Wall: 6753.25, 0.00319795/step, 2.56316 hours remaining, 240.242188 MB of memory in use. ENERGY: 2114600 3986.3543 20495.5890 14505.6588 247.0876 -202942.7983 2320.2471 0.0000 0.0000 52069.6401 -109318.2212 299.2449 -161387.8613 -108954.3090 299.4199 10.6416 33.3468 760087.6326 16.8709 16.9967 PRESSURE: 2114800 221.075 -138.204 278.785 -138.203 -43.7732 -82.482 278.786 -82.4822 183.396 GPRESSURE: 2114800 330.348 -155.479 231.458 -74.9958 -72.2693 -54.5429 203.589 -24.5838 191.397 PRESSAVG: 2114800 7.55299 8.55169 -37.6157 8.55172 -17.3235 52.4723 -37.6157 52.4722 8.50724 GPRESSAVG: 2114800 7.2419 7.65293 -38.3204 10.7917 -17.0959 51.828 -37.8734 53.6985 8.46534 TIMING: 2114800 CPU: 6753.89, 0.00321384/step Wall: 6753.89, 0.00321384/step, 2.57572 hours remaining, 240.242188 MB of memory in use. ENERGY: 2114800 3932.4000 20526.6756 14443.4555 221.1477 -203122.7228 2617.9131 0.0000 0.0000 52149.8790 -109231.2518 299.7061 -161381.1309 -108859.8255 298.8258 120.2325 149.8254 762460.9843 -0.4211 -0.4629 PRESSURE: 2115000 -332.691 69.4273 -219.316 69.4269 -427.506 96.7006 -219.315 96.7009 -72.4801 GPRESSURE: 2115000 -239.258 99.6143 -343.536 51.2874 -364.008 101.453 -110.207 1.31114 -136.954 PRESSAVG: 2115000 -16.4482 -11.4708 -37.5991 -11.4708 23.0654 0.0610412 -37.5991 0.0610577 1.35327 GPRESSAVG: 2115000 -16.4298 -10.1504 -37.7331 -15.005 23.872 -0.988013 -36.0275 -1.61148 1.03779 TIMING: 2115000 CPU: 6754.53, 0.00318569/step Wall: 6754.53, 0.00318569/step, 2.55298 hours remaining, 240.242188 MB of memory in use. ENERGY: 2115000 3974.6307 20542.1084 14428.1020 263.0562 -202774.9767 2184.4618 0.0000 0.0000 52448.3441 -108934.2733 301.4214 -161382.6175 -108566.0117 299.9113 -277.5591 -246.7399 763151.1086 2.6568 2.8267 PRESSURE: 2115200 -162.162 -258.719 -116.827 -258.719 -332.914 116.273 -116.827 116.272 -121.07 GPRESSURE: 2115200 -115.525 -95.8954 -142.863 -199.56 -294.504 -57.8865 -270.206 296.819 -122.3 PRESSAVG: 2115200 42.528 -12.2182 2.37007 -12.2183 -31.5057 50.2632 2.37006 50.2631 -11.5147 GPRESSAVG: 2115200 43.1885 -12.9125 2.17543 -11.7457 -32.0099 48.9733 0.135671 51.2976 -11.0186 TIMING: 2115200 CPU: 6755.17, 0.00317959/step Wall: 6755.17, 0.00317959/step, 2.54791 hours remaining, 240.242188 MB of memory in use. ENERGY: 2115200 3982.6047 20681.3323 14426.7402 253.0626 -202874.0570 2270.2203 0.0000 0.0000 52491.9060 -108768.1909 301.6717 -161260.0970 -108411.2300 301.0278 -205.3818 -177.4429 763262.3732 -0.1641 0.0533 PRESSURE: 2115400 -62.2599 150.344 60.6479 150.344 614.547 186.038 60.6472 186.037 64.7111 GPRESSURE: 2115400 63.549 133.538 112.654 250.416 561.872 209.138 -15.1138 30.9453 52.2726 PRESSAVG: 2115400 6.06199 10.9135 -30.5401 10.9136 25.2589 37.2307 -30.54 37.2308 -23.302 GPRESSAVG: 2115400 5.18196 12.7752 -28.5352 10.5517 25.2142 40.3757 -31.3212 37.1948 -22.9907 TIMING: 2115400 CPU: 6755.8, 0.00317954/step Wall: 6755.8, 0.00317954/step, 2.5477 hours remaining, 240.242188 MB of memory in use. ENERGY: 2115400 4062.9620 20524.3282 14395.1083 263.0727 -202942.0385 2343.6057 0.0000 0.0000 52646.6344 -108706.3271 302.5609 -161352.9615 -108345.3741 301.0960 205.6662 225.8980 760741.0278 2.6730 2.4685 PRESSURE: 2115600 69.0045 -1.46346 4.91565 -1.46324 31.3721 -38.3815 4.91557 -38.3821 424.318 GPRESSURE: 2115600 169.438 -13.4347 -20.1671 -135.692 21.9858 -123.51 92.4589 4.2631 428.809 PRESSAVG: 2115600 37.3235 -61.1245 -22.3713 -61.1244 -51.8747 16.3699 -22.3712 16.3698 -3.12354 GPRESSAVG: 2115600 38.3805 -64.3931 -23.7326 -57.5044 -52.5772 15.6905 -21.1209 16.4008 -3.29667 TIMING: 2115600 CPU: 6756.44, 0.00318779/step Wall: 6756.44, 0.00318779/step, 2.55413 hours remaining, 240.242188 MB of memory in use. ENERGY: 2115600 4083.9997 20558.9356 14423.2802 247.9425 -203412.4763 3027.7666 0.0000 0.0000 52324.7335 -108745.8182 300.7110 -161070.5516 -108383.5563 300.8427 174.8982 206.7444 762919.9534 -5.8916 -5.8311 PRESSURE: 2115800 -228.297 45.8884 -10.1754 45.8881 33.5723 18.9545 -10.1744 18.9556 31.515 GPRESSURE: 2115800 -169.405 41.686 -63.7618 43.7337 64.4339 11.5511 20.7932 85.2897 40.365 PRESSAVG: 2115800 31.383 -14.1748 5.60513 -14.1747 -9.40445 -4.57326 5.60511 -4.57319 -9.34327 GPRESSAVG: 2115800 31.8169 -12.6172 4.16629 -17.8705 -9.48753 -5.48529 5.73704 -4.64517 -9.95698 TIMING: 2115800 CPU: 6757.08, 0.00318619/step Wall: 6757.08, 0.00318619/step, 2.55267 hours remaining, 240.242188 MB of memory in use. ENERGY: 2115800 4010.8251 20667.8540 14426.0751 260.5773 -203070.1336 2580.3712 0.0000 0.0000 52585.0127 -108539.4182 302.2068 -161124.4309 -108174.2546 301.3785 -54.4034 -21.5355 761541.7854 4.2118 4.1241 PRESSURE: 2116000 -291.626 80.8245 156.626 80.8241 -126.937 104.481 156.626 104.48 212.096 GPRESSURE: 2116000 -262.04 56.1651 15.7543 44.6495 -64.4602 94.3778 155.414 95.0053 200.275 PRESSAVG: 2116000 -2.8504 -14.8648 -22.4225 -14.8648 -1.99042 5.68883 -22.4225 5.68872 -7.41605 GPRESSAVG: 2116000 -3.13392 -15.2322 -22.4095 -13.7157 -3.026 6.02864 -21.8443 5.19953 -6.22656 TIMING: 2116000 CPU: 6757.71, 0.00315734/step Wall: 6757.71, 0.00315734/step, 2.52938 hours remaining, 240.242188 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: 2116000 4093.3263 20522.1249 14422.8898 260.5579 -203240.8917 2869.7813 0.0000 0.0000 52454.3467 -108617.8647 301.4559 -161072.2113 -108253.5345 301.1521 -68.8224 -42.0751 761125.9779 -4.0856 -4.1288 PRESSURE: 2116200 171.343 192.563 7.64719 192.562 50.5672 -47.4257 7.64724 -47.426 83.032 GPRESSURE: 2116200 219.295 152.255 175.994 94.5605 19.0787 66.6021 76.4484 23.1452 165.145 PRESSAVG: 2116200 54.4849 26.8174 -6.76133 26.8174 -37.7476 9.09318 -6.76138 9.09321 25.5218 GPRESSAVG: 2116200 53.1093 26.1241 -5.42835 27.0775 -35.5855 8.54363 -6.88705 9.14148 24.1374 TIMING: 2116200 CPU: 6758.34, 0.0031641/step Wall: 6758.34, 0.0031641/step, 2.53462 hours remaining, 240.242188 MB of memory in use. ENERGY: 2116200 4006.4446 20622.8561 14494.4570 235.5575 -203435.5831 2902.0243 0.0000 0.0000 52161.2574 -109012.9862 299.7715 -161174.2436 -108654.4039 301.1963 101.6475 134.5064 761791.2323 14.0863 13.8871 LDB: ============= START OF LOAD BALANCING ============== 6770.8 LDB: ============== END OF LOAD BALANCING =============== 6770.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6770.8 LDB: ============= START OF LOAD BALANCING ============== 6771.12 LDB: Largest compute 7072 load 0.035055 is 18.0% of average load 0.195244 LDB: Average compute 0.004367 is 2.2% of average load 0.195244 LDB: TIME 6771.12 LOAD: AVG 0.195244 MAX 0.21398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6771.12 LOAD: AVG 0.195244 MAX 0.21398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 6771.12 LOAD: AVG 0.195244 MAX 0.21398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 6771.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6771.13 PRESSURE: 2116400 150.142 32.3874 -11.2703 32.387 -119.137 222.289 -11.2706 222.288 252.828 GPRESSURE: 2116400 147.92 11.8422 -46.7838 -29.8899 -114.481 241.638 -34.7611 227.554 312.363 PRESSAVG: 2116400 26.0791 7.6682 4.72848 7.66816 -17.7109 19.1011 4.72847 19.1011 -21.2809 GPRESSAVG: 2116400 26.5858 7.65428 4.3329 8.51746 -19.3688 19.6643 5.26581 18.6925 -20.0107 TIMING: 2116400 CPU: 6759, 0.00326699/step Wall: 6759, 0.00326699/step, 2.61686 hours remaining, 242.089844 MB of memory in use. ENERGY: 2116400 3944.8574 20654.9825 14447.7010 255.8505 -203466.5662 2908.2865 0.0000 0.0000 52176.1639 -109078.7244 299.8571 -161254.8883 -108713.9496 300.2634 94.6110 115.2670 762327.5053 -4.3042 -4.2646 PRESSURE: 2116600 -44.7424 -22.5706 133.53 -22.5722 -17.9163 79.8776 133.53 79.8775 153.112 GPRESSURE: 2116600 40.5877 -71.3658 70.9468 44.2493 -28.1007 163.313 10.8459 80.6235 160.374 PRESSAVG: 2116600 28.4642 -17.1152 5.44921 -17.1152 -22.4968 -21.1225 5.44918 -21.1225 -11.0484 GPRESSAVG: 2116600 28.788 -16.8936 4.12797 -20.5852 -21.6974 -20.8902 4.68146 -21.7351 -12.4079 TIMING: 2116600 CPU: 6759.64, 0.00320016/step Wall: 6759.64, 0.00320016/step, 2.56315 hours remaining, 242.089844 MB of memory in use. ENERGY: 2116600 4095.1203 20763.6196 14467.2292 236.9441 -203242.9295 2886.3214 0.0000 0.0000 52073.2270 -108720.4681 299.2656 -160793.6951 -108357.8337 300.6119 30.1512 57.6202 762366.9431 -1.6937 -1.7724 PRESSURE: 2116800 30.3478 19.324 -28.9725 19.3239 157.048 144.778 -28.9718 144.779 311.925 GPRESSURE: 2116800 46.5201 -31.4738 -67.3484 10.8887 271.757 113.244 185.884 58.1885 262.133 PRESSAVG: 2116800 20.8517 -43.5477 35.5635 -43.5478 -11.1414 -51.8632 35.5635 -51.8632 -21.3259 GPRESSAVG: 2116800 20.3995 -43.1725 38.3551 -40.9646 -12.1542 -53.269 36.4102 -49.3829 -20.5693 TIMING: 2116800 CPU: 6760.27, 0.00317882/step Wall: 6760.27, 0.00317882/step, 2.54588 hours remaining, 242.089844 MB of memory in use. ENERGY: 2116800 4029.8268 20614.5849 14497.9608 245.5139 -203061.3307 2688.5642 0.0000 0.0000 52329.3986 -108655.4814 300.7378 -160984.8800 -108289.4909 301.0518 166.4405 193.4702 761275.7033 -3.8719 -4.1080 PRESSURE: 2117000 118.738 -33.2073 -130.135 -33.2072 -181.649 -350.113 -130.135 -350.113 -97.4325 GPRESSURE: 2117000 172.072 64.2263 -46.7796 5.06152 -155.541 -336.164 -165.213 -257.942 -117.828 PRESSAVG: 2117000 25.6238 -50.3332 8.41671 -50.3332 -8.26955 -43.1705 8.4167 -43.1704 7.92152 GPRESSAVG: 2117000 25.1092 -49.1729 6.69091 -49.602 -6.96688 -39.6184 7.37847 -44.4683 7.64649 TIMING: 2117000 CPU: 6760.91, 0.00317891/step Wall: 6760.91, 0.00317891/step, 2.54578 hours remaining, 242.089844 MB of memory in use. ENERGY: 2117000 3989.8321 20652.8562 14408.9485 248.8866 -203217.9587 2564.3674 0.0000 0.0000 52729.8073 -108623.2605 303.0389 -161353.0678 -108254.1816 301.6188 -53.4476 -33.7658 762034.9742 8.4253 8.5963 PRESSURE: 2117200 -141.028 -72.9875 -66.4766 -72.9868 366.644 59.9919 -66.4772 59.9921 -11.8827 GPRESSURE: 2117200 -123.794 -112.61 -48.6117 -167.401 422.246 16.979 -52.6227 31.5068 -7.62524 PRESSAVG: 2117200 46.4475 -62.5498 12.2691 -62.5499 -57.076 -107.395 12.2691 -107.395 -5.08529 GPRESSAVG: 2117200 46.3006 -62.832 12.6246 -64.0794 -56.5988 -108.94 13.2105 -108.092 -5.23361 TIMING: 2117200 CPU: 6761.55, 0.00322128/step Wall: 6761.55, 0.00322128/step, 2.57953 hours remaining, 242.089844 MB of memory in use. ENERGY: 2117200 4065.2388 20600.5246 14508.1891 274.7282 -203513.0493 2899.5477 0.0000 0.0000 52526.7052 -108638.1156 301.8717 -161164.8208 -108282.9942 301.6208 71.2444 96.9424 761474.5699 -5.2379 -5.1772 PRESSURE: 2117400 466.483 -331.446 92.1104 -331.446 159.687 4.15507 92.1101 4.1555 218.653 GPRESSURE: 2117400 479.012 -276.962 112.202 -302.846 197.12 -50.8051 107.875 148.482 263.033 PRESSAVG: 2117400 66.3194 -40.5756 -2.1638 -40.5756 -58.2994 -26.6081 -2.16382 -26.6081 8.51696 GPRESSAVG: 2117400 67.0267 -40.632 -3.47141 -40.3378 -59.1833 -29.0469 -2.34034 -23.0638 8.70991 TIMING: 2117400 CPU: 6762.19, 0.0032114/step Wall: 6762.19, 0.0032114/step, 2.57144 hours remaining, 242.089844 MB of memory in use. ENERGY: 2117400 3913.7422 20625.3713 14511.0689 224.9418 -203365.8752 2694.4037 0.0000 0.0000 52454.9019 -108941.4454 301.4590 -161396.3473 -108581.1438 301.0602 281.6077 313.0553 761482.0440 5.5123 5.5178 PRESSURE: 2117600 34.6475 39.6492 -60.8022 39.6488 67.3227 -65.9603 -60.8013 -65.9606 -189.542 GPRESSURE: 2117600 28.9028 -9.77237 -54.7671 149.954 92.9739 -46.0825 -16.4744 -159.19 -137.867 PRESSAVG: 2117600 11.8804 -33.5145 -16.935 -33.5145 -20.7495 -11.7096 -16.9349 -11.7096 -2.23426 GPRESSAVG: 2117600 10.326 -34.2036 -16.6802 -31.8578 -19.7468 -10.526 -16.1049 -14.4061 -2.29823 TIMING: 2117600 CPU: 6762.83, 0.003182/step Wall: 6762.83, 0.003182/step, 2.54772 hours remaining, 242.089844 MB of memory in use. ENERGY: 2117600 3989.9088 20495.0819 14445.2904 243.9468 -203376.0586 2710.8345 0.0000 0.0000 52521.8621 -108969.1340 301.8439 -161490.9962 -108610.6592 300.3999 -29.1906 -5.3303 763349.5229 -3.7011 -3.9064 PRESSURE: 2117800 -76.1729 49.5568 32.5793 49.5569 -40.356 77.8926 32.5792 77.894 -46.4084 GPRESSURE: 2117800 -75.0948 18.1487 10.0423 111.341 -26.997 95.1247 68.2372 75.6716 10.0345 PRESSAVG: 2117800 -9.80666 -31.0142 -14.9568 -31.0142 -22.6601 16.7214 -14.9568 16.7214 -11.0212 GPRESSAVG: 2117800 -8.07356 -32.415 -14.5929 -30.7084 -23.6649 17.4379 -16.329 16.8564 -11.4649 TIMING: 2117800 CPU: 6763.47, 0.00318342/step Wall: 6763.47, 0.00318341/step, 2.54868 hours remaining, 242.089844 MB of memory in use. ENERGY: 2117800 4003.1837 20545.2708 14380.6478 266.1950 -203351.2746 2658.8630 0.0000 0.0000 52383.8750 -109113.2393 301.0508 -161497.1143 -108756.8652 300.4317 -54.3124 -30.6858 763513.9875 -14.4960 -14.4011 PRESSURE: 2118000 -235.267 -155.899 -137.985 -155.899 -127.271 158.739 -137.985 158.739 34.1723 GPRESSURE: 2118000 -171.233 -250.459 -119.135 -120.104 -188.158 114.085 -181.412 104.125 119.316 PRESSAVG: 2118000 52.67 -9.14412 4.59983 -9.14404 -22.4461 -7.34139 4.59981 -7.34137 -5.23065 GPRESSAVG: 2118000 51.3958 -6.93772 5.97423 -10.4266 -22.3859 -7.82665 4.83487 -7.1823 -3.31616 TIMING: 2118000 CPU: 6764.1, 0.00317678/step Wall: 6764.1, 0.00317678/step, 2.54319 hours remaining, 242.089844 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: 2118000 3976.9723 20325.0120 14526.1831 255.7810 -203531.3138 3021.5712 0.0000 0.0000 52413.2229 -109012.5713 301.2195 -161425.7942 -108645.6537 300.2923 -109.4553 -80.0250 762821.2984 8.3311 8.5646 PRESSURE: 2118200 -174.437 77.9149 35.0123 77.9151 -369.888 -46.1659 35.012 -46.166 -496.21 GPRESSURE: 2118200 -98.0528 24.5058 -17.4594 -128.059 -400.004 -125.637 15.6734 80.577 -458.531 PRESSAVG: 2118200 41.6491 2.69941 25.6144 2.69938 -82.2059 -6.67612 25.6144 -6.67615 -13.4536 GPRESSAVG: 2118200 41.6122 -0.122102 24.8947 1.38878 -82.1154 -6.69327 26.1257 -6.42454 -13.552 TIMING: 2118200 CPU: 6764.74, 0.00318403/step Wall: 6764.74, 0.00318403/step, 2.54882 hours remaining, 242.089844 MB of memory in use. ENERGY: 2118200 3955.2409 20648.0650 14453.7722 257.1163 -203263.6205 2693.5839 0.0000 0.0000 52225.7576 -109030.0847 300.1421 -161255.8423 -108665.1612 300.4323 -346.8446 -318.8624 764211.5598 -18.0035 -18.0184 PRESSURE: 2118400 255.5 88.9077 183.411 88.9082 -212.888 481.533 183.41 481.533 -81.5967 GPRESSURE: 2118400 303.426 148.903 200.869 92.3685 -237.201 392.58 145 444.148 5.94789 PRESSAVG: 2118400 45.8752 -42.4992 -8.37122 -42.4991 -76.0982 11.6174 -8.37124 11.6175 10.4435 GPRESSAVG: 2118400 46.6389 -40.501 -9.45811 -39.2264 -75.2796 11.6607 -8.40492 10.9498 9.08836 TIMING: 2118400 CPU: 6765.37, 0.00316398/step Wall: 6765.37, 0.00316398/step, 2.53259 hours remaining, 242.089844 MB of memory in use. ENERGY: 2118400 4035.1492 20571.4169 14454.0717 249.3182 -203193.6790 2764.0058 0.0000 0.0000 52098.0178 -109021.6993 299.4080 -161119.7171 -108664.6799 300.0569 -12.9949 24.0575 763268.3595 -6.5932 -6.5174 PRESSURE: 2118600 -101.564 86.592 175.564 86.5921 15.3447 87.6116 175.565 87.6117 -8.00281 GPRESSURE: 2118600 -74.4903 101.36 98.6094 267.521 1.30264 185.443 228.992 40.283 69.5454 PRESSAVG: 2118600 34.3715 11.8683 40.9082 11.8684 -21.6805 32.5561 40.9082 32.5562 -12.1907 GPRESSAVG: 2118600 34.1696 12.2311 41.4883 11.3116 -21.7273 33.4424 40.6922 32.9754 -11.7831 TIMING: 2118600 CPU: 6766.01, 0.00317316/step Wall: 6766.01, 0.00317316/step, 2.53976 hours remaining, 242.089844 MB of memory in use. ENERGY: 2118600 4025.7386 20560.8383 14430.3335 244.7368 -203419.0651 2780.8384 0.0000 0.0000 52206.2574 -109170.3222 300.0301 -161376.5796 -108810.2861 299.5250 -31.4073 -1.2141 762098.8327 0.1667 0.2197 PRESSURE: 2118800 -95.3585 -196.113 88.5126 -196.113 -271.944 -288.494 88.5126 -288.495 425.012 GPRESSURE: 2118800 -72.4998 -131.373 96.7454 -247.62 -275.429 -293.156 -47.5941 -172.434 487.924 PRESSAVG: 2118800 29.2972 -21.4482 17.0384 -21.4481 -66.7107 23.381 17.0384 23.381 5.41047 GPRESSAVG: 2118800 28.0036 -20.3994 17.6612 -22.3732 -66.1081 22.9416 18.9021 25.0379 5.87563 TIMING: 2118800 CPU: 6766.65, 0.00321713/step Wall: 6766.65, 0.00321713/step, 2.57477 hours remaining, 242.089844 MB of memory in use. ENERGY: 2118800 3847.5411 20453.6475 14438.4892 265.8472 -202949.0394 2348.8598 0.0000 0.0000 52201.0130 -109393.6416 299.9999 -161594.6546 -109028.5497 299.6598 19.2367 46.6650 762837.2913 -10.6677 -10.7430 PRESSURE: 2119000 -33.5428 96.5686 38.5638 96.5699 -212.796 199.109 38.5638 199.11 -379.032 GPRESSURE: 2119000 -65.6777 62.5613 -111.08 45.929 -218.783 149.157 89.2034 113.949 -275.442 PRESSAVG: 2119000 80.002 39.1379 -9.39617 39.1379 -27.8821 5.41522 -9.39619 5.41521 12.3636 GPRESSAVG: 2119000 80.9613 37.8468 -9.25175 37.7791 -28.6786 6.02105 -11.552 4.62555 12.129 TIMING: 2119000 CPU: 6767.29, 0.00320799/step Wall: 6767.29, 0.00320799/step, 2.56728 hours remaining, 242.089844 MB of memory in use. ENERGY: 2119000 3974.7753 20530.2926 14417.7456 236.2497 -202816.9321 2444.4927 0.0000 0.0000 51793.7404 -109419.6359 297.6593 -161213.3763 -109057.1973 298.9117 -208.4570 -186.6344 763607.1025 21.4945 21.4706 PRESSURE: 2119200 23.0042 -70.6784 8.06468 -70.678 -279.416 51.9471 8.06444 51.9465 103.746 GPRESSURE: 2119200 95.7511 65.2066 -21.1113 -162.516 -284.379 69.3706 11.5193 75.9033 124.243 PRESSAVG: 2119200 36.3725 20.8614 1.13365 20.8614 -48.1292 39.6896 1.13365 39.6896 0.340684 GPRESSAVG: 2119200 36.7324 20.5763 -0.608119 20.7493 -47.7516 39.4856 0.833189 39.8641 -0.287983 TIMING: 2119200 CPU: 6767.92, 0.00316623/step Wall: 6767.92, 0.00316623/step, 2.53369 hours remaining, 242.089844 MB of memory in use. ENERGY: 2119200 3954.3226 20448.8581 14408.2084 237.4343 -203471.2754 2698.4162 0.0000 0.0000 52092.4619 -109631.5738 299.3761 -161724.0358 -109273.0307 298.8345 -50.8887 -21.4616 762916.2233 -3.8054 -3.7691 PRESSURE: 2119400 -97.9512 -93.6718 -144.117 -93.6723 53.0718 -65.5778 -144.117 -65.5765 307.573 GPRESSURE: 2119400 -43.2992 -85.3123 -221.535 99.6415 54.9165 -36.5448 -106.087 92.7583 327.084 PRESSAVG: 2119400 -3.20551 -14.1822 19.8916 -14.1822 -6.99867 -1.19361 19.8915 -1.19359 -3.00438 GPRESSAVG: 2119400 -3.52495 -12.0741 21.3405 -13.4685 -6.67263 -0.560601 18.4825 -2.42591 -2.6987 TIMING: 2119400 CPU: 6768.56, 0.0031777/step Wall: 6768.56, 0.0031777/step, 2.54269 hours remaining, 242.089844 MB of memory in use. ENERGY: 2119400 3958.0326 20519.7839 14412.5193 241.2505 -203666.5495 2751.5069 0.0000 0.0000 52199.4627 -109583.9935 299.9910 -161783.4562 -109221.0944 299.1383 87.5646 112.9003 761130.0572 -4.4029 -4.2988 PRESSURE: 2119600 -92.7214 -51.4387 -23.2963 -51.439 -30.4895 -94.6099 -23.2967 -94.6099 -38.9155 GPRESSURE: 2119600 -163.45 43.3829 -63.3232 -26.9344 87.5136 -59.0271 -44.4362 -52.4692 14.6407 PRESSAVG: 2119600 13.2129 26.7872 -44.2254 26.7873 37.3982 20.0516 -44.2254 20.0516 -12.2342 GPRESSAVG: 2119600 12.5403 26.5376 -42.7138 28.5003 37.2786 18.4408 -43.7655 19.5094 -11.3496 TIMING: 2119600 CPU: 6769.2, 0.0031815/step Wall: 6769.2, 0.0031815/step, 2.54556 hours remaining, 242.089844 MB of memory in use. ENERGY: 2119600 4026.5528 20526.9803 14467.5350 257.8871 -203208.6467 2556.3266 0.0000 0.0000 52094.4884 -109278.8766 299.3877 -161373.3650 -108920.9047 299.9436 -54.0421 -20.4321 761182.5550 12.7923 12.8231 PRESSURE: 2119800 296.81 -201.766 -50.2278 -201.766 -280.199 48.9926 -50.2284 48.9923 -99.3832 GPRESSURE: 2119800 278.22 -224.302 31.996 -291.119 -124.746 37.9933 -40.6792 7.44572 -162.207 PRESSAVG: 2119800 -8.40112 3.30128 0.977902 3.30121 -43.134 -2.19566 0.977885 -2.19567 -12.3361 GPRESSAVG: 2119800 -7.72964 2.10035 -0.360682 3.60793 -42.5606 -2.92315 0.456338 -0.337641 -13.5828 TIMING: 2119800 CPU: 6769.83, 0.00319099/step Wall: 6769.83, 0.00319099/step, 2.55297 hours remaining, 242.089844 MB of memory in use. ENERGY: 2119800 3924.3158 20558.9338 14421.1183 258.7544 -202958.8786 2428.5219 0.0000 0.0000 52199.0041 -109168.2304 299.9884 -161367.2345 -108793.9670 299.9034 -27.5907 -2.9111 761547.7221 -21.2904 -21.2910 PRESSURE: 2120000 -74.4932 -101.249 -17.633 -101.25 232.07 26.8388 -17.6328 26.8375 -35.5632 GPRESSURE: 2120000 -79.164 -126.724 -38.1017 -69.5379 301.266 127.818 66.0757 41.6887 -12.3236 PRESSAVG: 2120000 27.851 -55.8882 17.0237 -55.8882 -32.1988 -6.98568 17.0236 -6.98568 -5.28872 GPRESSAVG: 2120000 27.058 -54.7746 17.2844 -58.0333 -32.1718 -5.50903 19.579 -7.04044 -5.41891 TIMING: 2120000 CPU: 6770.48, 0.00322357/step Wall: 6770.48, 0.00322357/step, 2.57886 hours remaining, 242.089844 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: 2120000 3874.6137 20564.3699 14365.1872 247.1628 -203006.4712 2600.2737 0.0000 0.0000 52166.0629 -109188.8011 299.7991 -161354.8640 -108820.8991 299.3807 40.6713 69.9262 763480.7569 -3.2122 -3.5109 PRESSURE: 2120200 -226.934 -211.169 311.165 -211.169 -124.735 4.0764 311.165 4.07606 -100.637 GPRESSURE: 2120200 -135.632 -130.34 256.96 -194.512 -94.8739 22.1882 264.8 101.945 -116.659 PRESSAVG: 2120200 30.1289 -6.47111 -49.5521 -6.47113 -19.9659 11.4085 -49.552 11.4085 20.8521 GPRESSAVG: 2120200 31.2506 -5.40812 -49.9321 -8.84028 -20.9772 10.3971 -51.6459 11.7016 21.3194 TIMING: 2120200 CPU: 6771.12, 0.00319675/step Wall: 6771.12, 0.00319675/step, 2.55722 hours remaining, 242.089844 MB of memory in use. ENERGY: 2120200 3990.5595 20386.1100 14448.1379 253.8715 -202774.7265 2434.4716 0.0000 0.0000 52330.2465 -108931.3295 300.7426 -161261.5760 -108572.0308 299.6003 -150.7688 -115.7216 762756.2454 10.3384 10.5309 LDB: ============= START OF LOAD BALANCING ============== 6783.57 LDB: ============== END OF LOAD BALANCING =============== 6783.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6783.58 LDB: ============= START OF LOAD BALANCING ============== 6783.89 LDB: Largest compute 7034 load 0.035648 is 18.3% of average load 0.195085 LDB: Average compute 0.004403 is 2.3% of average load 0.195085 LDB: TIME 6783.9 LOAD: AVG 0.195085 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.988 MB LDB: TIME 6783.9 LOAD: AVG 0.195085 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.152 MB LDB: TIME 6783.9 LOAD: AVG 0.195085 MAX 0.212757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.152 MB LDB: ============== END OF LOAD BALANCING =============== 6783.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6783.9 PRESSURE: 2120400 -189.668 -7.35218 6.55875 -7.35217 -298.087 72.9074 6.55793 72.9077 16.1735 GPRESSURE: 2120400 -136.485 31.4347 58.6378 61.4115 -259.863 36.3973 -157.735 -15.9914 22.2465 PRESSAVG: 2120400 90.6789 -40.1832 70.9144 -40.1832 -99.7312 -23.3233 70.9144 -23.3233 -17.9457 GPRESSAVG: 2120400 89.2317 -39.5607 70.2189 -37.7685 -97.8927 -23.5135 72.4867 -22.6434 -18.1916 TIMING: 2120400 CPU: 6771.77, 0.00325521/step Wall: 6771.77, 0.00325521/step, 2.60381 hours remaining, 239.835938 MB of memory in use. ENERGY: 2120400 4018.5555 20498.0374 14465.6875 273.1053 -202837.3154 2450.7720 0.0000 0.0000 52099.3706 -109031.7871 299.4158 -161131.1577 -108670.1691 299.8871 -157.1938 -124.7005 761571.7168 -8.9993 -8.9509 PRESSURE: 2120600 -158.609 -21.2076 -7.3538 -21.2091 102.177 160.817 -7.35506 160.815 -336.846 GPRESSURE: 2120600 -43.4744 22.4741 13.4267 -2.66163 42.2912 196.129 62.6891 139.013 -305.803 PRESSAVG: 2120600 24.0913 -77.7254 8.03835 -77.7253 -34.649 17.8847 8.03831 17.8847 -20.2336 GPRESSAVG: 2120600 24.2589 -76.4866 10.0404 -78.7725 -35.3638 18.559 6.74469 17.2811 -20.1298 TIMING: 2120600 CPU: 6772.41, 0.00318671/step Wall: 6772.41, 0.00318671/step, 2.54884 hours remaining, 240.039062 MB of memory in use. ENERGY: 2120600 3907.5313 20561.7752 14495.1485 233.4856 -202743.3635 2291.7513 0.0000 0.0000 52169.9748 -109083.6968 299.8216 -161253.6716 -108717.0576 299.7940 -131.0924 -102.3287 762211.9339 -10.2637 -10.4116 PRESSURE: 2120800 62.0424 -125.144 72.3133 -125.144 54.6646 -35.7634 72.313 -35.7642 -64.2542 GPRESSURE: 2120800 -63.2297 -28.7134 74.9899 -62.1024 219.086 -38.6907 -51.4155 -48.124 -18.5744 PRESSAVG: 2120800 -11.7287 -40.848 21.8735 -40.848 0.514666 -17.4655 21.8735 -17.4655 27.8039 GPRESSAVG: 2120800 -11.006 -42.9161 21.095 -39.8042 0.245568 -17.616 23.5903 -18.3092 27.6908 TIMING: 2120800 CPU: 6773.04, 0.00318898/step Wall: 6773.04, 0.00318898/step, 2.55047 hours remaining, 240.039062 MB of memory in use. ENERGY: 2120800 4000.1083 20485.5245 14419.4437 226.0661 -203195.3976 2688.9922 0.0000 0.0000 52180.9863 -109194.2764 299.8848 -161375.2627 -108837.0112 299.7637 17.4843 45.7607 760981.0785 5.5299 5.6435 PRESSURE: 2121000 -151.426 37.5484 125.264 37.5482 233.769 -32.5458 125.265 -32.5455 11.0789 GPRESSURE: 2121000 -86.845 34.175 139.211 16.6905 178.472 -3.86337 95.6917 3.39907 55.5177 PRESSAVG: 2121000 41.2965 -87.2397 -4.88243 -87.2396 -10.1251 5.29584 -4.88244 5.2959 6.09514 GPRESSAVG: 2121000 40.3568 -89.3098 -3.74654 -88.1181 -9.80194 6.41839 -8.06405 6.15376 6.58081 TIMING: 2121000 CPU: 6773.68, 0.00319251/step Wall: 6773.68, 0.00319251/step, 2.55312 hours remaining, 240.039062 MB of memory in use. ENERGY: 2121000 4061.4621 20515.8679 14369.2020 239.5808 -203515.9503 3046.1569 0.0000 0.0000 52193.1987 -109090.4819 299.9550 -161283.6806 -108734.8889 299.6756 31.1407 49.0481 761309.8918 12.4222 12.3786 PRESSURE: 2121200 -130.485 253.741 -14.716 253.741 -295.574 -56.131 -14.7166 -56.1301 -436.801 GPRESSURE: 2121200 -65.1127 207.102 39.5019 210.5 -240.783 -2.26318 2.44989 44.1991 -461.956 PRESSAVG: 2121200 36.9185 -68.2152 -27.0646 -68.2152 -72.8345 -4.31368 -27.0646 -4.31369 14.8969 GPRESSAVG: 2121200 37.7628 -67.6254 -28.9775 -67.2645 -72.6256 -3.84475 -25.3908 -5.98438 13.514 TIMING: 2121200 CPU: 6774.32, 0.00320151/step Wall: 6774.32, 0.00320151/step, 2.56014 hours remaining, 240.039062 MB of memory in use. ENERGY: 2121200 3965.1560 20419.4694 14474.5962 248.8399 -203451.0394 2724.9009 0.0000 0.0000 52547.2544 -109070.8226 301.9898 -161618.0770 -108695.6542 299.9089 -287.6202 -255.9506 760982.3124 -7.0064 -7.1162 PRESSURE: 2121400 -270.574 -106.33 275.148 -106.331 -231.661 -19.7748 275.147 -19.7738 106.443 GPRESSURE: 2121400 -199.24 -144.301 200.56 -158.226 -183.342 55.2249 307.109 0.400772 84.5635 PRESSAVG: 2121400 -2.3349 -63.7271 -23.4851 -63.7271 -14.2255 -4.84317 -23.4851 -4.84318 -5.21424 GPRESSAVG: 2121400 -1.98749 -62.636 -21.8879 -65.3574 -14.5821 -6.02039 -22.6181 -3.86951 -5.05054 TIMING: 2121400 CPU: 6774.96, 0.00320621/step Wall: 6774.96, 0.00320621/step, 2.56372 hours remaining, 240.039062 MB of memory in use. ENERGY: 2121400 4006.2915 20538.2623 14515.1231 235.2725 -203458.3974 2717.0263 0.0000 0.0000 52346.2465 -109100.1752 300.8346 -161446.4217 -108741.9667 300.2116 -131.9308 -99.3393 759279.0719 -7.2582 -7.2067 PRESSURE: 2121600 -39.9468 163.566 254.349 163.566 -314.414 27.0886 254.349 27.089 -56.5067 GPRESSURE: 2121600 27.0829 185.225 250.081 75.2441 -372.862 -12.3124 273.371 139.371 14.8535 PRESSAVG: 2121600 18.7898 17.236 79.7688 17.236 -29.7057 -3.75377 79.7688 -3.75386 -20.4398 GPRESSAVG: 2121600 19.5806 16.605 80.014 17.9143 -30.526 -2.66443 79.0911 -5.84451 -20.0807 TIMING: 2121600 CPU: 6775.6, 0.00319345/step Wall: 6775.6, 0.00319345/step, 2.55334 hours remaining, 240.039062 MB of memory in use. ENERGY: 2121600 3988.5928 20669.5614 14475.7561 268.1574 -203030.8113 2350.0447 0.0000 0.0000 52174.1175 -109104.5814 299.8454 -161278.6989 -108746.3659 300.2714 -136.9558 -110.3086 762346.6940 -10.4519 -10.3420 PRESSURE: 2121800 -313.076 12.7795 -13.2024 12.7785 -356.849 -148.354 -13.2016 -148.354 96.1766 GPRESSURE: 2121800 -267.887 -70.9083 -83.1181 105.033 -284.742 -169.431 -15.4616 -144.668 49.146 PRESSAVG: 2121800 28.8247 4.71612 -18.8255 4.71609 -70.4467 35.0393 -18.8255 35.0393 -20.3539 GPRESSAVG: 2121800 28.69 5.88011 -20.1179 1.98791 -69.5764 34.2893 -18.1452 38.0621 -20.8024 TIMING: 2121800 CPU: 6776.25, 0.00321032/step Wall: 6776.25, 0.00321032/step, 2.56665 hours remaining, 240.039062 MB of memory in use. ENERGY: 2121800 4027.0068 20644.8398 14499.7225 234.7505 -202973.7470 2316.5721 0.0000 0.0000 52010.4732 -109240.3821 298.9049 -161250.8553 -108877.9719 299.5161 -191.2496 -167.8276 761647.1580 -20.6586 -20.5629 PRESSURE: 2122000 -252.434 -226.426 -185.744 -226.426 -402.965 17.7025 -185.743 17.7024 89.1324 GPRESSURE: 2122000 -209.431 -231.747 -188.302 -220.333 -380.76 -83.1369 -217.771 89.3837 111.427 PRESSAVG: 2122000 6.27892 -5.00423 -20.7125 -5.0043 0.898502 16.0534 -20.7125 16.0535 -14.9364 GPRESSAVG: 2122000 5.22688 -6.91047 -20.8615 0.0730103 0.287016 16.2234 -22.1743 15.1887 -13.0982 TIMING: 2122000 CPU: 6776.88, 0.00319352/step Wall: 6776.88, 0.00319352/step, 2.55304 hours remaining, 240.039062 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: 2122000 4066.8349 20590.8968 14497.4747 244.6140 -202982.6485 2228.6759 0.0000 0.0000 52234.3392 -109119.8130 300.1915 -161354.1523 -108757.2803 300.0894 -188.7555 -159.5882 760452.4166 -2.5863 -2.5281 PRESSURE: 2122200 128.25 -2.0627 10.283 -2.0636 42.4034 -143.423 10.2831 -143.423 -147.609 GPRESSURE: 2122200 171.56 62.0225 36.5019 26.5772 113.237 -131.514 -0.554199 -208.62 -187.529 PRESSAVG: 2122200 -18.9336 5.51343 -25.9127 5.51343 -23.1636 10.5982 -25.9127 10.5983 4.71413 GPRESSAVG: 2122200 -18.4442 4.92232 -24.9117 5.17982 -23.2962 9.49807 -25.9966 9.71034 4.27419 TIMING: 2122200 CPU: 6777.52, 0.0031999/step Wall: 6777.52, 0.0031999/step, 2.55797 hours remaining, 240.039062 MB of memory in use. ENERGY: 2122200 4052.8956 20531.2235 14431.1651 232.7285 -203226.5976 2447.4908 0.0000 0.0000 52211.2176 -109319.8765 300.0586 -161531.0941 -108948.2059 299.7871 7.6817 32.4228 760481.6469 -12.4610 -12.4887 PRESSURE: 2122400 -19.4093 -34.4763 -19.653 -34.4766 -5.22512 185.118 -19.6539 185.118 388.231 GPRESSURE: 2122400 122.073 82.0259 -114.585 42.1237 -17.3207 162.12 69.9067 159.837 367.552 PRESSAVG: 2122400 64.7989 26.3058 13.4206 26.3057 -50.0675 14.1674 13.4206 14.1674 12.7846 GPRESSAVG: 2122400 65.8238 28.3603 12.8293 23.7652 -50.4497 13.9605 13.8152 13.6022 12.0453 TIMING: 2122400 CPU: 6778.16, 0.00319082/step Wall: 6778.16, 0.00319082/step, 2.55053 hours remaining, 240.039062 MB of memory in use. ENERGY: 2122400 4004.7065 20564.4571 14493.9738 259.2832 -203250.8381 2596.3459 0.0000 0.0000 51999.5490 -109332.5226 298.8421 -161332.0717 -108976.8034 299.4581 121.1989 157.4349 761700.4424 9.1720 9.1398 PRESSURE: 2122600 226.025 -57.269 59.356 -57.269 153.832 -9.90266 59.3568 -9.90455 -175.204 GPRESSURE: 2122600 232.617 -35.5709 -41.1795 3.88625 92.3092 -0.995807 132.473 38.0385 -43.1159 PRESSAVG: 2122600 19.1728 14.8573 9.18908 14.8573 -5.63555 18.3173 9.18917 18.3172 -24.8367 GPRESSAVG: 2122600 17.744 14.3728 9.71025 16.9498 -5.74151 19.8593 10.2313 17.7898 -23.5025 TIMING: 2122600 CPU: 6778.8, 0.00318341/step Wall: 6778.8, 0.00318341/step, 2.54443 hours remaining, 240.039062 MB of memory in use. ENERGY: 2122600 3975.4409 20543.1844 14496.6133 250.0897 -203322.4116 2563.7117 0.0000 0.0000 52081.6127 -109411.7590 299.3137 -161493.3717 -109056.8165 299.9354 68.2178 93.9368 760559.9897 -3.7665 -3.8333 PRESSURE: 2122800 -167.863 -21.2494 -108.093 -21.2507 96.1133 127.766 -108.093 127.764 214.034 GPRESSURE: 2122800 -88.972 -47.1455 -187.845 -71.4044 71.6842 77.8091 55.0036 26.0405 244.798 PRESSAVG: 2122800 43.2642 -43.0593 -13.0794 -43.0593 14.2124 -27.2999 -13.0794 -27.2998 9.0082 GPRESSAVG: 2122800 43.2425 -43.1291 -13.821 -44.5143 14.9486 -29.0285 -13.0265 -25.2671 8.35287 TIMING: 2122800 CPU: 6779.43, 0.00317718/step Wall: 6779.43, 0.00317718/step, 2.53927 hours remaining, 240.039062 MB of memory in use. ENERGY: 2122800 4018.2765 20555.6191 14492.6585 254.5590 -204154.4453 3294.7203 0.0000 0.0000 52043.8745 -109494.7373 299.0969 -161538.6118 -109133.1147 299.3821 47.4281 75.8366 761538.1220 22.1616 22.1813 PRESSURE: 2123000 -161.012 -101.215 -202.526 -101.215 -188.918 1.90493 -202.526 1.90453 12.3915 GPRESSURE: 2123000 -166.194 -167.555 -172.079 -64.9271 -138.811 -78.2609 -171.36 115.981 57.691 PRESSAVG: 2123000 38.634 1.06405 -33.6235 1.06398 -54.2573 -75.4536 -33.6234 -75.4535 12.4845 GPRESSAVG: 2123000 38.7313 1.68007 -33.5947 -0.400747 -53.074 -75.4209 -33.7456 -75.0051 11.4804 TIMING: 2123000 CPU: 6780.07, 0.00316241/step Wall: 6780.07, 0.00316241/step, 2.52729 hours remaining, 240.039062 MB of memory in use. ENERGY: 2123000 4032.4387 20619.6899 14484.9884 228.0787 -203454.7824 2651.4395 0.0000 0.0000 52094.4096 -109343.7375 299.3873 -161438.1471 -108981.1853 299.4470 -112.5127 -82.4379 761911.5198 -1.0463 -0.9541 PRESSURE: 2123200 27.0112 63.5598 218.922 63.5601 173.924 -85.9098 218.922 -85.9103 215.952 GPRESSURE: 2123200 101.265 42.8176 192.633 91.9626 229.146 -176.892 323.134 -51.4498 135.507 PRESSAVG: 2123200 84.4374 -44.893 -35.4384 -44.8929 -37.6279 -19.4202 -35.4384 -19.4203 -25.5625 GPRESSAVG: 2123200 84.0234 -46.3977 -34.3342 -42.2032 -38.338 -20.7517 -35.0212 -17.5376 -24.7382 TIMING: 2123200 CPU: 6780.7, 0.00318031/step Wall: 6780.7, 0.00318031/step, 2.54142 hours remaining, 240.039062 MB of memory in use. ENERGY: 2123200 4024.5142 20793.1912 14540.2575 266.1143 -203826.6555 2824.2774 0.0000 0.0000 52047.7428 -109330.5581 299.1191 -161378.3009 -108974.6152 298.9286 138.9625 155.3058 760198.1783 7.0823 6.9824 PRESSURE: 2123400 -8.93588 -154.195 -381.462 -154.196 -11.5705 63.0669 -381.462 63.0661 76.7793 GPRESSURE: 2123400 2.25156 -167.188 -259.82 -67.393 -20.6821 83.9502 -308.803 -126.949 158.736 PRESSAVG: 2123400 -51.4438 -84.6606 -46.1069 -84.6607 17.2301 -75.4778 -46.1071 -75.4778 7.7009 GPRESSAVG: 2123400 -50.5488 -85.5572 -46.1025 -83.4225 16.7741 -74.5479 -45.1759 -79.5231 7.47599 TIMING: 2123400 CPU: 6781.34, 0.00318254/step Wall: 6781.34, 0.00318254/step, 2.54302 hours remaining, 240.039062 MB of memory in use. ENERGY: 2123400 4016.2853 20505.8309 14511.5383 252.1051 -204036.1903 2994.5158 0.0000 0.0000 52516.6204 -109239.2944 301.8137 -161755.9148 -108866.5213 299.8022 18.7576 46.7685 761205.8724 -8.8376 -8.7662 PRESSURE: 2123600 -103.691 -21.9227 -44.5115 -21.9234 -241.441 -27.8374 -44.5118 -27.8373 200.813 GPRESSURE: 2123600 -43.3912 -120.935 38.4255 -59.6087 -208.448 -2.58506 -58.0945 0.730988 185.136 PRESSAVG: 2123600 -43.2277 -25.7103 -32.9872 -25.7103 -4.58548 -28.494 -32.9872 -28.494 -0.0770755 GPRESSAVG: 2123600 -43.4902 -23.8755 -34.3565 -28.8147 -4.56161 -28.041 -34.2044 -25.6485 -0.286839 TIMING: 2123600 CPU: 6781.97, 0.00317706/step Wall: 6781.97, 0.00317706/step, 2.53847 hours remaining, 240.039062 MB of memory in use. ENERGY: 2123600 3975.9172 20616.7116 14464.8812 243.9405 -203842.2920 3074.9898 0.0000 0.0000 52154.9826 -109310.8691 299.7354 -161465.8516 -108950.0125 299.5650 -48.1064 -22.2345 761779.6945 -15.9634 -16.1129 PRESSURE: 2123800 221.695 278.383 0.888884 278.382 25.3101 -136.707 0.88992 -136.706 -179.09 GPRESSURE: 2123800 347.367 257.14 33.9581 293.946 -55.0515 -226.79 32.2009 -180.241 -151.309 PRESSAVG: 2123800 52.2797 -28.947 2.68087 -28.947 1.0773 -22.2421 2.68091 -22.2421 3.89947 GPRESSAVG: 2123800 52.0407 -28.3415 3.02141 -30.8912 1.20977 -21.6539 2.65205 -25.3521 4.27186 TIMING: 2123800 CPU: 6782.61, 0.0031711/step Wall: 6782.61, 0.0031711/step, 2.53353 hours remaining, 240.039062 MB of memory in use. ENERGY: 2123800 4062.6255 20631.5457 14464.1621 258.8093 -203727.8584 2868.1567 0.0000 0.0000 52154.9474 -109287.6117 299.7352 -161442.5591 -108931.1977 299.7167 22.6384 47.0024 761233.7797 19.0855 19.1741 PRESSURE: 2124000 135.584 27.1736 -291.573 27.1741 120.478 -276.885 -291.572 -276.886 -91.9834 GPRESSURE: 2124000 153.38 50.501 -315.41 82.8299 93.4307 -270.708 -241.505 -202.18 14.2485 PRESSAVG: 2124000 30.5432 -51.722 -55.979 -51.7221 5.59422 -17.3712 -55.9791 -17.3712 -19.618 GPRESSAVG: 2124000 32.1984 -53.352 -55.409 -46.7758 4.42808 -16.8952 -55.5044 -14.0571 -19.8001 TIMING: 2124000 CPU: 6783.25, 0.00318454/step Wall: 6783.25, 0.00318454/step, 2.5441 hours remaining, 240.039062 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: 2124000 4079.4998 20585.6187 14493.1633 261.4661 -203473.9045 2634.4425 0.0000 0.0000 52288.4073 -109131.3069 300.5022 -161419.7142 -108750.4542 300.0604 54.6931 87.0197 760156.4770 5.5065 5.6088 PRESSURE: 2124200 215.276 55.2053 -200.045 55.2065 230.805 152.405 -200.045 152.405 102.694 GPRESSURE: 2124200 293.57 -166.091 -200.774 -63.0568 254.337 223.329 -213.038 -51.9326 112.807 PRESSAVG: 2124200 -4.42195 -41.2028 -62.5676 -41.2028 -3.37714 -38.3956 -62.5676 -38.3956 -0.88092 GPRESSAVG: 2124200 -5.71254 -39.5196 -62.9955 -43.2461 -2.02215 -39.0845 -61.9974 -40.5444 -0.476741 TIMING: 2124200 CPU: 6783.88, 0.00316338/step Wall: 6783.88, 0.00316338/step, 2.52702 hours remaining, 240.039062 MB of memory in use. ENERGY: 2124200 4052.9065 20569.8252 14562.5636 241.6730 -203554.0222 2775.8495 0.0000 0.0000 52079.6621 -109271.5424 299.3025 -161351.2045 -108906.0243 300.1296 182.9250 220.2383 761416.8125 -2.8933 -2.7371 LDB: ============= START OF LOAD BALANCING ============== 6796.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6796.33 LDB: =============== DONE WITH MIGRATION ================ 6796.33 LDB: ============= START OF LOAD BALANCING ============== 6796.65 LDB: Largest compute 7034 load 0.034599 is 17.7% of average load 0.195164 LDB: Average compute 0.004399 is 2.3% of average load 0.195164 LDB: TIME 6796.65 LOAD: AVG 0.195164 MAX 0.211917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 6796.66 LOAD: AVG 0.195164 MAX 0.211917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 6796.66 LOAD: AVG 0.195164 MAX 0.211917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 6796.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6796.66 PRESSURE: 2124400 86.0098 -35.5356 -100.044 -35.5356 -115.714 -75.2831 -100.045 -75.2824 -383.743 GPRESSURE: 2124400 86.7232 19.1879 -80.0772 6.21172 -68.5867 -6.0293 -48.8531 -119.152 -328.045 PRESSAVG: 2124400 -13.6021 -0.801944 -83.598 -0.801894 -7.75122 4.565 -83.5981 4.56506 13.1 GPRESSAVG: 2124400 -13.2152 -3.47567 -82.539 -0.51575 -7.10386 6.86214 -84.1501 2.68846 12.688 TIMING: 2124400 CPU: 6784.53, 0.00324214/step Wall: 6784.53, 0.00324214/step, 2.58975 hours remaining, 239.835938 MB of memory in use. ENERGY: 2124400 3979.2768 20427.3899 14502.4561 252.5393 -203157.3822 2575.2272 0.0000 0.0000 52079.5891 -109340.9039 299.3021 -161420.4930 -108980.4332 299.6517 -137.8154 -103.3030 762676.4535 -2.7511 -2.5437 PRESSURE: 2124600 345.99 160.543 -292.307 160.543 -183.825 135.544 -292.307 135.545 166.823 GPRESSURE: 2124600 228.4 98.81 -279.698 168.26 -45.2113 97.7362 -238.393 141.316 213.259 PRESSAVG: 2124600 -19.3569 -27.4565 -51.7399 -27.4565 -5.23107 -16.2691 -51.7398 -16.2691 -19.1025 GPRESSAVG: 2124600 -19.3552 -24.5657 -52.0171 -27.8827 -6.09971 -18.2357 -50.2498 -14.4875 -18.9756 TIMING: 2124600 CPU: 6785.16, 0.00317204/step Wall: 6785.16, 0.00317204/step, 2.53358 hours remaining, 240.039062 MB of memory in use. ENERGY: 2124600 3962.4143 20566.1192 14522.2574 236.6017 -203474.8197 2602.9108 0.0000 0.0000 52186.3094 -109398.2071 299.9154 -161584.5165 -109027.5786 299.4599 109.6625 132.1495 761256.6704 -14.5635 -14.8102 PRESSURE: 2124800 472.565 181.162 133.101 181.162 51.786 203.709 133.101 203.709 188.213 GPRESSURE: 2124800 547.549 96.0976 64.4148 171.794 65.6691 126.046 188.596 296.93 168.695 PRESSAVG: 2124800 -8.82538 38.6717 -8.74421 38.6717 -66.8533 13.4133 -8.74422 13.4133 29.961 GPRESSAVG: 2124800 -8.41853 37.4334 -7.20925 37.5652 -66.8127 13.205 -12.5474 13.0353 30.3593 TIMING: 2124800 CPU: 6785.79, 0.00315731/step Wall: 6785.79, 0.00315731/step, 2.52164 hours remaining, 240.039062 MB of memory in use. ENERGY: 2124800 4072.8454 20589.2231 14522.2266 254.8637 -203290.5863 2692.3499 0.0000 0.0000 51822.7364 -109336.3412 297.8260 -161159.0776 -108970.5396 299.3571 237.5214 260.6379 761715.6738 -15.2392 -14.9573 PRESSURE: 2125000 366.1 -99.467 59.6367 -99.4662 78.3385 -74.2247 59.6373 -74.2249 50.3467 GPRESSURE: 2125000 432.397 -74.4894 36.5381 -13.1999 97.6343 -39.9471 -70.6988 -160.522 32.9865 PRESSAVG: 2125000 43.9951 -23.2563 -19.7525 -23.2563 -47.6423 -31.5215 -19.7525 -31.5215 3.62527 GPRESSAVG: 2125000 44.0759 -22.3938 -20.3527 -21.0817 -47.4371 -32.2932 -18.7587 -29.9206 3.597 TIMING: 2125000 CPU: 6786.43, 0.00317473/step Wall: 6786.43, 0.00317473/step, 2.53537 hours remaining, 240.039062 MB of memory in use. ENERGY: 2125000 4012.6172 20654.5811 14560.9817 247.8922 -203891.4329 2811.8453 0.0000 0.0000 52402.8916 -109200.6238 301.1601 -161603.5155 -108831.9809 299.8150 164.9282 187.6725 761886.0430 -0.0073 0.0786 PRESSURE: 2125200 153.732 -52.02 -4.03262 -52.02 -228.47 100.626 -4.03265 100.626 -162.088 GPRESSURE: 2125200 171.222 57.1304 -5.06584 72.0114 -145.096 9.56403 17.6443 63.9882 -170.983 PRESSAVG: 2125200 51.7499 -0.278716 -10.6863 -0.278778 -57.4062 16.3528 -10.6863 16.3528 -9.41479 GPRESSAVG: 2125200 51.2241 1.32717 -12.9776 0.237358 -56.9446 16.8359 -9.60226 13.6265 -9.86945 TIMING: 2125200 CPU: 6787.07, 0.00320207/step Wall: 6787.07, 0.00320207/step, 2.55703 hours remaining, 240.039062 MB of memory in use. ENERGY: 2125200 4013.6812 20673.9856 14509.1719 244.3696 -203459.3352 2642.8394 0.0000 0.0000 52169.3867 -109205.9009 299.8182 -161375.2875 -108846.9819 299.8902 -78.9420 -48.2857 763014.7436 -5.0237 -5.1966 PRESSURE: 2125400 -156.989 -138.367 -72.4347 -138.367 -235.069 -11.882 -72.4348 -11.8823 51.5325 GPRESSURE: 2125400 -157.089 -154.985 -86.6161 -33.9993 -161.163 -0.732037 94.9215 -54.1308 54.6971 PRESSAVG: 2125400 64.6771 32.6487 28.4989 32.6487 -77.3077 -8.22699 28.4989 -8.22702 3.11739 GPRESSAVG: 2125400 65.7489 30.2785 29.008 32.1769 -78.108 -8.03993 30.3956 -7.49674 3.00162 TIMING: 2125400 CPU: 6787.7, 0.00318436/step Wall: 6787.7, 0.00318436/step, 2.54271 hours remaining, 240.039062 MB of memory in use. ENERGY: 2125400 3928.2558 20667.1857 14534.1869 260.2523 -204137.8870 3038.4385 0.0000 0.0000 52451.6954 -109257.8724 301.4406 -161709.5678 -108889.6696 300.0893 -113.5085 -87.8516 761705.8130 -3.1711 -3.1192 PRESSURE: 2125600 -245.333 -137.06 -272.185 -137.06 54.7218 -150.541 -272.186 -150.542 141.101 GPRESSURE: 2125600 -213.431 -188.927 -266.292 -60.4181 69.2192 -22.2462 -358.392 -111.141 190.715 PRESSAVG: 2125600 24.7423 -29.0648 -18.4874 -29.0648 -9.62641 -10.0401 -18.4874 -10.0402 8.63472 GPRESSAVG: 2125600 23.1953 -27.8491 -18.2047 -28.9167 -7.24579 -8.9703 -19.7972 -11.69 7.78235 TIMING: 2125600 CPU: 6788.34, 0.00317897/step Wall: 6788.34, 0.00317897/step, 2.53823 hours remaining, 240.039062 MB of memory in use. ENERGY: 2125600 3993.9773 20575.7680 14445.4748 252.0170 -203662.2852 2674.1546 0.0000 0.0000 52398.9877 -109321.9059 301.1377 -161720.8936 -108963.1336 300.0184 -16.5035 15.5010 760716.4232 7.9169 7.9106 PRESSURE: 2125800 -273.376 -34.5464 308.311 -34.5457 -284.746 5.95643 308.311 5.95654 -422.233 GPRESSURE: 2125800 -251.19 -18.4764 214.453 12.3732 -121.659 16.0437 287.733 -60.2073 -514.433 PRESSAVG: 2125800 20.6189 -33.6274 -74.8358 -33.6273 -23.5813 -21.9058 -74.8358 -21.9058 7.03595 GPRESSAVG: 2125800 21.4781 -32.6406 -75.2454 -34.9397 -24.4818 -22.175 -73.7325 -20.9044 7.32355 TIMING: 2125800 CPU: 6788.98, 0.00318056/step Wall: 6788.98, 0.00318056/step, 2.53932 hours remaining, 240.039062 MB of memory in use. ENERGY: 2125800 4002.4154 20720.1643 14534.7683 235.4068 -203387.1665 2482.6593 0.0000 0.0000 52210.4996 -109201.2529 300.0545 -161411.7525 -108837.9677 299.8963 -326.7851 -295.7608 762349.2303 1.3579 1.4399 PRESSURE: 2126000 -75.097 -262.924 91.823 -262.924 -206.533 189.633 91.8234 189.632 -429.558 GPRESSURE: 2126000 -62.827 -238.035 21.4825 -252.425 -178.614 108.117 109.451 139.675 -383.784 PRESSAVG: 2126000 102.667 -4.04145 -15.4044 -4.04152 -46.1328 -6.75917 -15.4045 -6.75916 -4.33277 GPRESSAVG: 2126000 102.868 -3.07283 -15.008 -4.33296 -46.8784 -7.44303 -16.9089 -6.91516 -3.88595 TIMING: 2126000 CPU: 6789.62, 0.00319341/step Wall: 6789.62, 0.00319341/step, 2.5494 hours remaining, 240.039062 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: 2126000 4012.7069 20631.5836 14495.3191 242.1154 -203518.0204 2537.7964 0.0000 0.0000 52427.4937 -109171.0052 301.3015 -161598.4989 -108801.2955 299.8480 -237.0626 -208.4085 761437.4239 17.4005 17.3678 PRESSURE: 2126200 160.937 189.375 219.252 189.374 -235.466 -132.117 219.253 -132.116 305.553 GPRESSURE: 2126200 188.506 12.8529 190.404 136.368 -183.999 -151.271 55.1672 -224.062 310.259 PRESSAVG: 2126200 12.4261 -41.018 54.5226 -41.0181 -39.16 -11.1208 54.5226 -11.1209 -2.84033 GPRESSAVG: 2126200 11.5396 -42.6351 56.5259 -39.926 -39.4794 -10.6384 53.745 -11.9618 -1.71366 TIMING: 2126200 CPU: 6790.25, 0.00317746/step Wall: 6790.25, 0.00317746/step, 2.5365 hours remaining, 240.039062 MB of memory in use. ENERGY: 2126200 4003.4141 20678.2557 14454.2101 250.5247 -203034.4404 2453.3113 0.0000 0.0000 52138.4016 -109056.3229 299.6401 -161194.7244 -108696.8456 299.8228 77.0080 104.9221 763313.0707 -9.8581 -9.8845 PRESSURE: 2126400 -386.504 52.0494 -102.176 52.0494 -308.168 316.874 -102.175 316.874 -378.747 GPRESSURE: 2126400 -259.431 54.9118 -135.66 -81.5504 -323.394 328.983 -120.68 347.197 -394.377 PRESSAVG: 2126400 11.5372 -21.4316 44.1599 -21.4317 -16.2954 32.8118 44.1599 32.8118 -3.55961 GPRESSAVG: 2126400 13.7171 -20.6618 42.085 -23.9162 -16.8699 32.1913 44.9596 32.1565 -4.68506 TIMING: 2126400 CPU: 6790.89, 0.00318504/step Wall: 6790.89, 0.00318504/step, 2.54237 hours remaining, 240.039062 MB of memory in use. ENERGY: 2126400 4000.0082 20585.0447 14471.8760 250.6365 -203174.0515 2401.8479 0.0000 0.0000 52336.3527 -109128.2855 300.7777 -161464.6382 -108761.5193 300.1420 -357.8065 -325.7340 764230.7896 -2.7726 -2.6126 PRESSURE: 2126600 -99.9855 159.804 66.1426 159.805 197.002 -26.9832 66.143 -26.9825 212.641 GPRESSURE: 2126600 -6.78737 98.8111 124.465 110.735 185.141 25.3685 54.584 -24.1637 202.77 PRESSAVG: 2126600 38.9688 -40.3236 1.56026 -40.3236 -3.70845 50.0097 1.5603 50.0097 1.38029 GPRESSAVG: 2126600 38.0431 -40.5392 4.18577 -40.2047 -3.236 49.4348 1.75596 52.3726 1.85816 TIMING: 2126600 CPU: 6791.52, 0.00317083/step Wall: 6791.52, 0.00317083/step, 2.53085 hours remaining, 240.039062 MB of memory in use. ENERGY: 2126600 4013.8417 20477.0453 14454.9337 254.2989 -203438.3661 2771.9557 0.0000 0.0000 52182.6774 -109283.6134 299.8946 -161466.2908 -108918.0167 300.2818 103.2192 127.0413 760988.3091 12.2136 12.2217 PRESSURE: 2126800 64.1793 66.5854 27.5859 66.585 140.773 205.567 27.5851 205.567 -313.627 GPRESSURE: 2126800 24.8738 53.8613 -36.1409 -14.5608 235.077 224.38 107.211 231.231 -303.189 PRESSAVG: 2126800 42.7036 -17.8652 -21.6813 -17.8652 -33.8361 48.3325 -21.6812 48.3324 -12.8376 GPRESSAVG: 2126800 41.0045 -18.6681 -24.4866 -17.0453 -33.04 48.9324 -21.7093 48.7655 -12.6974 TIMING: 2126800 CPU: 6792.16, 0.00317828/step Wall: 6792.16, 0.00317828/step, 2.53662 hours remaining, 240.039062 MB of memory in use. ENERGY: 2126800 3927.6447 20652.1301 14466.8070 265.0264 -203308.6933 2519.3889 0.0000 0.0000 52125.0944 -109352.6019 299.5636 -161477.6963 -108997.6776 299.7519 -36.2250 -14.4128 762091.3164 -1.3234 -1.5776 PRESSURE: 2127000 -299.689 -118.811 21.2759 -118.81 -220.979 131.144 21.2757 131.142 -21.5693 GPRESSURE: 2127000 -174.6 -96.6359 -5.22551 -47.1784 -232.926 42.4595 1.87358 156.503 -46.3982 PRESSAVG: 2127000 23.755 -45.9284 -8.24644 -45.9284 -73.7919 6.80442 -8.24649 6.80445 0.28728 GPRESSAVG: 2127000 24.6843 -41.5943 -6.9165 -46.3236 -73.0934 6.55385 -6.01739 6.47265 -0.553022 TIMING: 2127000 CPU: 6792.79, 0.00316476/step Wall: 6792.79, 0.00316476/step, 2.52566 hours remaining, 240.039062 MB of memory in use. ENERGY: 2127000 4012.4664 20553.6198 14469.0754 251.8281 -203048.2721 2416.7343 0.0000 0.0000 51976.0860 -109368.4619 298.7073 -161344.5480 -108999.6112 299.1325 -180.7459 -151.3080 762158.7092 -16.5832 -16.3207 PRESSURE: 2127200 -262.957 -202.167 -79.69 -202.167 -36.3904 84.1032 -79.6908 84.1026 -31.9215 GPRESSURE: 2127200 -144.958 -59.6664 -31.0056 -171.263 -57.5737 85.1844 -150.954 64.2052 -31.6575 PRESSAVG: 2127200 44.0234 -48.3098 -19.8873 -48.3098 2.4478 -4.76932 -19.8872 -4.76945 20.8884 GPRESSAVG: 2127200 43.9338 -48.9051 -19.0116 -49.1887 1.06132 -5.20267 -22.5932 -4.48025 22.0803 TIMING: 2127200 CPU: 6793.42, 0.00316243/step Wall: 6793.42, 0.00316243/step, 2.52362 hours remaining, 240.039062 MB of memory in use. ENERGY: 2127200 3977.1155 20539.8086 14444.5978 253.7801 -203575.2311 2629.4967 0.0000 0.0000 52200.7777 -109529.6546 299.9986 -161730.4323 -109161.8656 299.4557 -110.4230 -78.0632 760600.8601 22.4532 22.3585 PRESSURE: 2127400 214.985 -13.5128 -69.5325 -13.5133 162.085 97.94 -69.5334 97.9397 37.1227 GPRESSURE: 2127400 223.652 -3.19218 -74.7232 -1.58015 160.171 147.237 177.517 30.3614 113.171 PRESSAVG: 2127400 -31.5914 -16.1209 -4.66202 -16.1208 -15.8188 3.03845 -4.66204 3.03842 20.7077 GPRESSAVG: 2127400 -31.4718 -19.8244 -4.46956 -12.7351 -16.057 3.04683 -4.4888 2.95938 21.1705 TIMING: 2127400 CPU: 6794.06, 0.00317661/step Wall: 6794.06, 0.00317661/step, 2.53476 hours remaining, 240.039062 MB of memory in use. ENERGY: 2127400 3925.8615 20611.9196 14466.8699 236.2678 -203420.3177 2570.7903 0.0000 0.0000 52241.9495 -109366.6591 300.2352 -161608.6086 -108991.0095 299.4772 138.0642 165.6646 762072.6951 -8.9008 -8.7861 PRESSURE: 2127600 -193.145 50.8684 -30.2139 50.8692 102.17 -99.5228 -30.2137 -99.5234 243.421 GPRESSURE: 2127600 -54.1733 167.901 -6.14706 123.016 66.4589 -85.4291 -97.1705 -33.2963 231.278 PRESSAVG: 2127600 34.8348 -37.7182 -15.2116 -37.7182 -6.45145 26.7333 -15.2116 26.7333 22.6701 GPRESSAVG: 2127600 35.1375 -35.8961 -17.9823 -40.2508 -5.21681 27.9637 -15.3102 26.0375 21.1802 TIMING: 2127600 CPU: 6794.69, 0.00317396/step Wall: 6794.69, 0.00317396/step, 2.53247 hours remaining, 240.039062 MB of memory in use. ENERGY: 2127600 3929.1552 20543.6211 14442.7044 240.8781 -203529.2919 2666.0591 0.0000 0.0000 52251.2943 -109455.5798 300.2889 -161706.8741 -109090.1249 299.2858 50.8154 81.1879 761015.6030 17.0178 17.0336 PRESSURE: 2127800 -22.3564 -53.0379 69.7141 -53.0382 -82.6498 3.89266 69.7146 3.89213 208.814 GPRESSURE: 2127800 59.2026 -17.2969 66.0554 68.1071 -13.657 -85.802 104.801 69.1142 163.307 PRESSAVG: 2127800 3.5807 -5.19231 16.6807 -5.1923 -0.952503 48.917 16.6807 48.9169 29.6482 GPRESSAVG: 2127800 2.18385 -5.40136 19.473 -5.1171 -0.484233 47.517 18.2026 49.4081 30.1774 TIMING: 2127800 CPU: 6795.33, 0.00317749/step Wall: 6795.33, 0.00317749/step, 2.53511 hours remaining, 240.039062 MB of memory in use. ENERGY: 2127800 3970.8988 20556.3469 14425.0866 250.9345 -203615.8307 2629.2549 0.0000 0.0000 52278.7176 -109504.5914 300.4465 -161783.3090 -109137.8989 299.4491 34.6027 69.6175 761330.0965 10.7588 10.6257 PRESSURE: 2128000 -194.318 2.1256 -209.801 2.12625 373.534 16.0353 -209.802 16.0356 278.588 GPRESSURE: 2128000 -197.224 -85.2276 -238.563 25.7404 474.585 11.7586 -111.136 76.6725 276.681 PRESSAVG: 2128000 8.34461 -17.7568 -20.3006 -17.7567 -9.24175 16.5986 -20.3006 16.5986 16.9657 GPRESSAVG: 2128000 8.39327 -18.7586 -21.5431 -16.5224 -9.81726 15.6081 -21.6477 19.0111 16.8006 TIMING: 2128000 CPU: 6795.97, 0.0031865/step Wall: 6795.97, 0.0031865/step, 2.54212 hours remaining, 240.039062 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: 2128000 3986.4964 20476.1959 14455.5153 241.0159 -203808.1364 2816.4918 0.0000 0.0000 52069.2740 -109763.1471 299.2428 -161832.4211 -109405.2517 298.7607 152.6015 184.6806 758776.6600 5.3562 5.1255 PRESSURE: 2128200 16.9891 17.5807 -94.1213 17.5813 -56.9811 70.5114 -94.1216 70.5122 -385.802 GPRESSURE: 2128200 94.6796 17.3051 -121.982 98.8826 -71.0105 130.057 -75.7111 113.558 -349.435 PRESSAVG: 2128200 13.8835 27.4734 -18.6262 27.4734 -26.4855 12.7577 -18.6263 12.7578 4.6023 GPRESSAVG: 2128200 14.9987 28.2516 -18.2596 27.9873 -25.8621 15.2181 -16.0932 9.19351 2.75918 TIMING: 2128200 CPU: 6796.6, 0.00317494/step Wall: 6796.6, 0.00317493/step, 2.53272 hours remaining, 240.039062 MB of memory in use. ENERGY: 2128200 4088.4321 20601.2981 14556.6520 240.1501 -203782.5614 2984.1348 0.0000 0.0000 51699.1154 -109612.7788 297.1155 -161311.8942 -109252.2286 299.0189 -141.9312 -108.5888 761571.5192 -2.6666 -2.7014 LDB: ============= START OF LOAD BALANCING ============== 6809.05 LDB: ============== END OF LOAD BALANCING =============== 6809.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6809.06 LDB: ============= START OF LOAD BALANCING ============== 6809.38 LDB: Largest compute 7024 load 0.035943 is 18.4% of average load 0.195212 LDB: Average compute 0.004404 is 2.3% of average load 0.195212 LDB: TIME 6809.38 LOAD: AVG 0.195212 MAX 0.213425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 6809.38 LOAD: AVG 0.195212 MAX 0.213425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 6809.38 LOAD: AVG 0.195212 MAX 0.213425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 6809.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6809.39 PRESSURE: 2128400 143.956 -46.5966 40.8612 -46.5959 53.8185 164.052 40.8618 164.052 -353.043 GPRESSURE: 2128400 195.703 -90.868 16.3416 -21.7455 -24.6437 177.791 -107.944 244.484 -259.221 PRESSAVG: 2128400 17.0334 -15.5504 -47.8246 -15.5505 -1.12871 2.68678 -47.8246 2.68681 10.0722 GPRESSAVG: 2128400 16.1261 -15.5569 -46.1484 -16.5899 -1.3948 3.68734 -50.4409 3.43811 11.3916 TIMING: 2128400 CPU: 6797.25, 0.00324663/step Wall: 6797.25, 0.00324663/step, 2.58973 hours remaining, 240.039062 MB of memory in use. ENERGY: 2128400 4028.3251 20528.3842 14456.3665 259.2411 -203552.9815 2883.4215 0.0000 0.0000 51840.1991 -109557.0440 297.9263 -161397.2431 -109195.6173 299.8011 -51.7561 -29.3872 760561.8385 8.6589 8.7076 PRESSURE: 2128600 -182.173 -287.885 -227.029 -287.885 -173.699 -141.776 -227.029 -141.776 -183.785 GPRESSURE: 2128600 -188.574 -128.785 -191.623 -142.931 -75.5688 -89.7588 -263.446 -151.57 -173.778 PRESSAVG: 2128600 -10.6251 -38.4526 -47.5055 -38.4526 48.4976 2.46052 -47.5055 2.46053 15.1218 GPRESSAVG: 2128600 -10.6968 -39.0944 -47.6278 -38.2607 50.2948 1.44739 -45.951 4.08678 13.6256 TIMING: 2128600 CPU: 6797.89, 0.00318598/step Wall: 6797.89, 0.00318598/step, 2.54118 hours remaining, 240.242188 MB of memory in use. ENERGY: 2128600 3970.7492 20653.1370 14537.7830 259.7346 -203497.7411 2677.6290 0.0000 0.0000 51894.8463 -109503.8621 298.2404 -161398.7083 -109153.0307 299.2174 -179.8853 -145.9735 759865.6651 17.6648 17.7412 PRESSURE: 2128800 -338.817 -232.655 -83.9907 -232.655 -375.438 139.001 -83.9903 139 -706.481 GPRESSURE: 2128800 -308.335 -159.087 -170.226 -219.146 -259.618 202.391 25.534 100.158 -767.507 PRESSAVG: 2128800 72.8655 -57.9045 18.7308 -57.9045 -72.5692 18.7885 18.7307 18.7885 7.18063 GPRESSAVG: 2128800 73.5131 -56.6275 18.4934 -60.3924 -74.217 17.5713 18.7065 18.3482 7.73047 TIMING: 2128800 CPU: 6798.52, 0.00317603/step Wall: 6798.52, 0.00317603/step, 2.53306 hours remaining, 240.242188 MB of memory in use. ENERGY: 2128800 4022.5757 20416.4699 14541.2475 257.1563 -203538.7506 2549.2608 0.0000 0.0000 52058.6742 -109693.3662 299.1819 -161752.0405 -109327.0831 298.4227 -473.5787 -445.1534 761412.2304 2.4923 2.3422 PRESSURE: 2129000 -246.394 -19.7657 -162.15 -19.7663 -231.518 -104.27 -162.15 -104.27 -253.564 GPRESSURE: 2129000 -217.253 -46.8646 -201.052 182.334 -289.09 -136.501 -125.083 -31.993 -160.198 PRESSAVG: 2129000 12.7721 -0.426949 -3.06911 -0.426999 -65.2253 -35.7104 -3.06914 -35.7105 -1.29946 GPRESSAVG: 2129000 12.7208 -1.27367 -2.92135 0.45131 -66.2373 -35.0097 -3.96614 -36.1056 -0.296494 TIMING: 2129000 CPU: 6799.16, 0.00318027/step Wall: 6799.16, 0.00318027/step, 2.53626 hours remaining, 240.242188 MB of memory in use. ENERGY: 2129000 4008.4458 20581.2561 14517.6845 250.7167 -203589.7979 2524.3194 0.0000 0.0000 51977.8966 -109729.4788 298.7177 -161707.3754 -109366.0183 298.9094 -243.8256 -222.1803 761827.3207 -17.9175 -17.9377 PRESSURE: 2129200 2.16615 1.91656 76.8249 1.91699 -263.137 273.936 76.8249 273.936 484.827 GPRESSURE: 2129200 19.5561 -190.017 81.3697 -7.03727 -144.89 323.17 -53.2872 220.426 419.946 PRESSAVG: 2129200 42.4049 -45.4771 3.01797 -45.4771 -64.1617 22.6341 3.01796 22.634 4.79487 GPRESSAVG: 2129200 41.1983 -47.7885 2.97831 -44.1974 -62.2525 22.2656 4.07162 25.6493 4.34889 TIMING: 2129200 CPU: 6799.79, 0.00317859/step Wall: 6799.79, 0.00317859/step, 2.53475 hours remaining, 240.242188 MB of memory in use. ENERGY: 2129200 3926.0855 20691.7090 14473.5103 254.2463 -203669.9150 2506.5760 0.0000 0.0000 52024.3032 -109793.4847 298.9844 -161817.7879 -109425.6939 298.6404 74.6187 98.2039 762669.0695 -5.6540 -5.5685 PRESSURE: 2129400 67.5594 -68.8847 -72.7329 -68.8859 -242.196 226.94 -72.7341 226.939 -150.585 GPRESSURE: 2129400 49.6377 88.4981 -105.138 -28.3079 -128.856 245.138 -100.531 170.519 -149.996 PRESSAVG: 2129400 45.9084 -16.6871 -10.6881 -16.6871 -39.8593 73.6386 -10.6882 73.6387 14.4228 GPRESSAVG: 2129400 46.4005 -13.2536 -11.1937 -15.8388 -39.9301 73.799 -12.0597 69.6201 14.233 TIMING: 2129400 CPU: 6800.44, 0.00320463/step Wall: 6800.44, 0.00320463/step, 2.55534 hours remaining, 240.242188 MB of memory in use. ENERGY: 2129400 4007.8137 20558.9255 14425.5724 248.2798 -203774.7301 2579.8079 0.0000 0.0000 52202.0094 -109752.3215 300.0057 -161954.3309 -109370.3730 299.4174 -108.4073 -76.4049 760842.7910 6.8240 6.9011 PRESSURE: 2129600 546.145 151.417 104.365 151.417 -17.7384 143.83 104.365 143.83 20.3927 GPRESSURE: 2129600 545.398 112.97 133.692 168.628 -15.4617 203.788 -4.37412 157.321 84.8998 PRESSAVG: 2129600 31.49 -25.7428 17.3706 -25.7428 -21.3207 30.2931 17.3706 30.2931 10.5415 GPRESSAVG: 2129600 31.7123 -28.9091 17.4927 -26.5626 -22.7459 30.9085 20.1882 30.1664 11.7376 TIMING: 2129600 CPU: 6801.07, 0.00317526/step Wall: 6801.07, 0.00317526/step, 2.53174 hours remaining, 240.242188 MB of memory in use. ENERGY: 2129600 3949.7358 20731.2709 14498.2824 249.9027 -203903.8313 2574.1904 0.0000 0.0000 52116.6732 -109783.7759 299.5152 -161900.4491 -109429.7369 298.5872 182.9330 204.9454 759284.2619 6.9036 6.9014 PRESSURE: 2129800 203.011 -194.813 152.612 -194.813 -52.1991 77.9384 152.612 77.938 177.033 GPRESSURE: 2129800 287.504 -301.194 211.561 -250.158 -9.55703 116.808 156.74 103.708 126.824 PRESSAVG: 2129800 -19.781 -48.0881 4.25349 -48.0882 24.2935 -25.7692 4.25353 -25.7692 -4.68147 GPRESSAVG: 2129800 -20.0909 -44.7548 4.13257 -48.474 24.9482 -25.3606 2.08868 -25.571 -5.24992 TIMING: 2129800 CPU: 6801.71, 0.00319405/step Wall: 6801.71, 0.00319405/step, 2.54654 hours remaining, 240.242188 MB of memory in use. ENERGY: 2129800 4034.9925 20522.8251 14471.4378 227.7740 -204287.3494 3035.7451 0.0000 0.0000 52179.6675 -109814.9074 299.8773 -161994.5749 -109460.5670 298.6820 109.2815 134.9237 759599.1386 -0.0563 -0.1308 PRESSURE: 2130000 -447.924 -67.5007 -54.7395 -67.5007 -438.337 183.106 -54.7401 183.106 90.9355 GPRESSURE: 2130000 -410.376 -181.318 -35.2149 -42.5317 -307.879 163.258 31.8016 281.101 17.5889 PRESSAVG: 2130000 -13.9893 -50.6461 -14.7401 -50.6461 47.3016 41.5874 -14.7402 41.5874 -6.55434 GPRESSAVG: 2130000 -13.8075 -54.5836 -15.5363 -52.3738 48.1999 41.6666 -13.7333 42.3618 -7.09318 TIMING: 2130000 CPU: 6802.34, 0.00315939/step Wall: 6802.34, 0.00315939/step, 2.51873 hours remaining, 240.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2130000 3987.3317 20581.5461 14557.1695 261.4314 -203203.0423 2219.1240 0.0000 0.0000 52032.5145 -109563.9251 299.0316 -161596.4396 -109194.6079 298.6934 -265.1083 -233.5554 762288.4696 8.9193 9.0997 PRESSURE: 2130200 41.4742 15.7891 288.098 15.7895 408.546 256.293 288.098 256.293 -44.6106 GPRESSURE: 2130200 182.369 61.3532 301.12 -126.079 346.31 202.984 85.9303 212.979 -28.8925 PRESSAVG: 2130200 -10.6666 -48.0469 -34.9063 -48.0468 -6.58274 69.1195 -34.9062 69.1194 9.13856 GPRESSAVG: 2130200 -11.3011 -47.922 -34.6791 -47.4735 -6.40893 67.4919 -34.9939 69.0902 9.38161 TIMING: 2130200 CPU: 6802.97, 0.0031637/step Wall: 6802.97, 0.0031637/step, 2.522 hours remaining, 240.242188 MB of memory in use. ENERGY: 2130200 4014.7278 20404.3414 14490.8199 280.3644 -203672.2124 2837.8689 0.0000 0.0000 51991.0013 -109653.0886 298.7930 -161644.0899 -109298.0605 298.9401 135.1366 166.5956 760258.4159 -2.7036 -2.7761 PRESSURE: 2130400 253.092 279.852 -107.273 279.852 -270.395 316.672 -107.273 316.671 263.945 GPRESSURE: 2130400 236.853 213.83 -68.8119 217.68 -208.264 336.713 -174.445 241.688 290.438 PRESSAVG: 2130400 77.7172 -28.5029 38.4865 -28.5029 -68.5818 23.0837 38.4865 23.0837 -5.10639 GPRESSAVG: 2130400 78.0398 -27.4246 38.3131 -26.485 -69.0026 23.4468 37.6879 21.784 -5.32151 TIMING: 2130400 CPU: 6803.6, 0.00314658/step Wall: 6803.6, 0.00314658/step, 2.50818 hours remaining, 240.242188 MB of memory in use. ENERGY: 2130400 4026.2037 20470.5475 14461.0948 249.9578 -203763.1453 2649.5785 0.0000 0.0000 52264.8651 -109640.8980 300.3669 -161905.7631 -109284.0503 299.3389 82.2141 106.3424 759040.0255 1.3430 1.2386 PRESSURE: 2130600 -264.675 51.6404 -120.213 51.6398 67.1513 18.052 -120.212 18.0529 -422.747 GPRESSURE: 2130600 -254.337 79.898 -119.312 90.4948 96.5966 23.5303 -72.1472 -130.411 -376.817 PRESSAVG: 2130600 22.7054 17.8395 31.8151 17.8396 -9.35435 11.1854 31.8151 11.1854 22.4654 GPRESSAVG: 2130600 23.4926 19.4709 31.6391 16.2792 -10.4258 12.6533 33.9845 12.9186 22.3218 TIMING: 2130600 CPU: 6804.24, 0.00318145/step Wall: 6804.24, 0.00318145/step, 2.53579 hours remaining, 240.242188 MB of memory in use. ENERGY: 2130600 4049.7994 20581.9116 14499.8719 242.2652 -203438.0139 2403.9355 0.0000 0.0000 52018.2235 -109642.0068 298.9494 -161660.2303 -109285.9036 298.6923 -206.7568 -178.1858 761060.1924 11.9388 11.7962 PRESSURE: 2130800 -127.459 -12.7046 -28.8509 -12.7048 -1.8659 -185.385 -28.8512 -185.386 -131.851 GPRESSURE: 2130800 -94.4573 24.3358 -33.4553 -23.1104 44.1812 -260.532 43.4892 -190.348 -147.834 PRESSAVG: 2130800 45.2225 -20.1868 9.41768 -20.1868 -72.4345 13.3266 9.41768 13.3266 -5.58084 GPRESSAVG: 2130800 44.2584 -21.9329 9.34672 -19.9796 -71.2141 11.2644 8.73364 14.0193 -5.94473 TIMING: 2130800 CPU: 6804.87, 0.00317614/step Wall: 6804.87, 0.00317614/step, 2.53138 hours remaining, 240.242188 MB of memory in use. ENERGY: 2130800 4015.4020 20573.5780 14434.9359 238.9332 -204051.2676 2928.0031 0.0000 0.0000 52217.6235 -109642.7919 300.0954 -161860.4154 -109279.9552 298.9525 -87.0586 -66.0368 762430.1698 -10.9309 -10.9668 PRESSURE: 2131000 -186.837 -62.5463 -5.40413 -62.5475 -88.3687 9.94854 -5.40483 9.94822 46.5983 GPRESSURE: 2131000 -137.643 -30.8854 35.5521 -87.0312 -94.6445 -2.05106 -27.1232 -126.206 77.2847 PRESSAVG: 2131000 63.6626 -38.2889 -116.143 -38.2889 -49.8233 12.0687 -116.143 12.0686 -18.0367 GPRESSAVG: 2131000 65.5155 -35.7744 -114.297 -38.088 -51.118 13.3017 -117.138 10.2542 -18.7431 TIMING: 2131000 CPU: 6805.51, 0.00315243/step Wall: 6805.51, 0.00315243/step, 2.51231 hours remaining, 240.242188 MB of memory in use. ENERGY: 2131000 3899.8015 20519.5464 14447.3819 258.4317 -203265.3809 2433.4392 0.0000 0.0000 52236.7362 -109470.0441 300.2052 -161706.7803 -109102.2074 299.0110 -76.2025 -51.6675 763913.0740 -1.3991 -1.4486 PRESSURE: 2131200 -15.6816 -35.1198 -86.2254 -35.1192 165.106 -98.1115 -86.2252 -98.111 21.6452 GPRESSURE: 2131200 -4.86197 -1.07032 -27.4018 22.4243 156.301 -143.035 -17.6597 -63.0849 94.2684 PRESSAVG: 2131200 55.9618 -15.7099 -19.179 -15.7099 -59.6659 28.5219 -19.1791 28.5219 -0.361561 GPRESSAVG: 2131200 56.1297 -17.1794 -20.9461 -14.3185 -61.152 28.4957 -18.1107 28.2029 0.523563 TIMING: 2131200 CPU: 6806.14, 0.00316704/step Wall: 6806.14, 0.00316704/step, 2.52378 hours remaining, 240.242188 MB of memory in use. ENERGY: 2131200 3956.8298 20482.0371 14464.3392 252.1185 -203631.6632 2908.3051 0.0000 0.0000 52061.7496 -109506.2839 299.1996 -161568.0335 -109141.6346 299.2139 57.0232 81.9026 762684.5484 -1.3552 -1.4996 PRESSURE: 2131400 175.035 -86.4147 -214.359 -86.4141 -244.397 -131.852 -214.359 -131.852 -271.554 GPRESSURE: 2131400 192.343 7.27168 -149.88 -59.5072 -225.855 -236.549 -210.482 -129.927 -205.731 PRESSAVG: 2131400 32.3744 33.4801 5.47651 33.4801 -14.295 -11.9465 5.47652 -11.9465 0.720813 GPRESSAVG: 2131400 31.0807 35.1194 5.16618 32.0017 -13.4321 -13.5327 5.06906 -11.4894 0.778646 TIMING: 2131400 CPU: 6806.77, 0.00315947/step Wall: 6806.77, 0.00315947/step, 2.51757 hours remaining, 240.242188 MB of memory in use. ENERGY: 2131400 4002.8733 20471.7678 14470.1673 251.7346 -203395.8583 2601.2166 0.0000 0.0000 52225.5991 -109372.4995 300.1412 -161598.0986 -109010.3043 299.4886 -113.6383 -79.7479 762255.6398 6.2667 6.1424 PRESSURE: 2131600 -279.76 -194.965 179.15 -194.965 1.78057 268.966 179.15 268.966 35.9148 GPRESSURE: 2131600 -241.031 -142.888 120.065 -202.585 13.8112 235.209 137.874 247.368 85.9552 PRESSAVG: 2131600 -13.4062 45.4103 -3.37394 45.4103 -2.55373 -33.9394 -3.37388 -33.9393 -5.68992 GPRESSAVG: 2131600 -13.2125 43.4055 -2.88122 45.7693 -2.40777 -33.3719 -4.57396 -34.1845 -5.93456 TIMING: 2131600 CPU: 6807.4, 0.00315008/step Wall: 6807.4, 0.00315008/step, 2.50992 hours remaining, 240.242188 MB of memory in use. ENERGY: 2131600 4040.3161 20508.8863 14497.6421 240.5823 -203330.8054 2627.2910 0.0000 0.0000 52070.4344 -109345.6531 299.2495 -161416.0875 -108985.8294 299.6038 -80.6883 -47.0883 761758.2787 -7.2166 -7.1849 PRESSURE: 2131800 80.2909 -36.8988 -26.1119 -36.8982 98.5175 -196.784 -26.1116 -196.784 69.1493 GPRESSURE: 2131800 85.2883 -127.726 -67.7303 -89.9549 126.683 -214.332 -68.9534 -113.41 102.695 PRESSAVG: 2131800 -15.8865 -6.33877 7.23105 -6.33881 16.6323 10.6639 7.23105 10.6639 17.8358 GPRESSAVG: 2131800 -16.5276 -6.1897 8.14886 -8.06961 17.5209 10.81 7.07049 13.6829 17.535 TIMING: 2131800 CPU: 6808.03, 0.00315405/step Wall: 6808.03, 0.00315405/step, 2.5129 hours remaining, 240.242188 MB of memory in use. ENERGY: 2131800 3981.9705 20570.7544 14437.9153 244.3389 -203202.7286 2548.9901 0.0000 0.0000 51867.6145 -109551.1449 298.0839 -161418.7594 -109192.9840 299.3770 82.6526 104.8888 763010.0501 6.1939 6.1761 PRESSURE: 2132000 -83.5331 -76.2994 133.97 -76.2991 -134.71 -127.593 133.969 -127.594 200.512 GPRESSURE: 2132000 -23.7596 7.49226 134.138 -176.831 -156.39 -130.833 90.3953 -33.0981 227.241 PRESSAVG: 2132000 -4.9112 -46.3577 -49.3379 -46.3576 -36.5761 -39.4058 -49.3379 -39.4058 21.0305 GPRESSAVG: 2132000 -4.03152 -46.814 -52.2004 -42.9012 -36.761 -38.5845 -47.7443 -40.5387 20.6443 TIMING: 2132000 CPU: 6808.67, 0.0031764/step Wall: 6808.67, 0.0031764/step, 2.53053 hours remaining, 240.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2132000 4094.0422 20635.1677 14414.0699 239.5525 -203914.3051 3044.2548 0.0000 0.0000 51970.9571 -109516.2609 298.6778 -161487.2180 -109164.7011 298.9208 -5.9105 15.6974 762846.8957 -6.8189 -6.7161 PRESSURE: 2132200 -42.7459 -48.4479 -19.5155 -48.4477 -8.51389 145.391 -19.5155 145.391 -95.0681 GPRESSURE: 2132200 6.86162 26.6331 24.1901 -41.1385 -8.37877 72.4499 -62.3322 -12.0311 -63.6134 PRESSAVG: 2132200 36.8059 -24.2223 -31.1082 -24.2223 41.1104 -22.7758 -31.1082 -22.7759 -6.23938 GPRESSAVG: 2132200 36.194 -25.137 -27.175 -25.8647 40.9318 -23.3436 -34.2754 -24.8862 -5.65303 TIMING: 2132200 CPU: 6809.3, 0.00318548/step Wall: 6809.3, 0.00318548/step, 2.53759 hours remaining, 240.242188 MB of memory in use. ENERGY: 2132200 3946.9103 20347.5525 14464.6071 257.7512 -203704.1165 2823.1029 0.0000 0.0000 52155.7946 -109708.3979 299.7401 -161864.1925 -109344.1840 298.5809 -48.7760 -21.7102 761978.9272 23.8923 23.8243 LDB: ============= START OF LOAD BALANCING ============== 6821.76 LDB: ============== END OF LOAD BALANCING =============== 6821.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6821.76 LDB: ============= START OF LOAD BALANCING ============== 6822.08 LDB: Largest compute 7070 load 0.035141 is 18.0% of average load 0.195157 LDB: Average compute 0.004397 is 2.3% of average load 0.195157 LDB: TIME 6822.09 LOAD: AVG 0.195157 MAX 0.214819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6822.09 LOAD: AVG 0.195157 MAX 0.214819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 6822.09 LOAD: AVG 0.195157 MAX 0.214819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 6822.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6822.1 PRESSURE: 2132400 184.331 197.539 101.39 197.54 58.8888 249.605 101.389 249.606 178.803 GPRESSURE: 2132400 274.722 202.742 19.8345 346.021 69.4014 273.386 213.026 180.739 172.284 PRESSAVG: 2132400 37.0043 -7.3674 0.598111 -7.3674 -49.876 73.705 0.59811 73.705 -24.2791 GPRESSAVG: 2132400 37.4562 -6.6883 -0.383672 -7.04696 -50.4069 73.4377 1.87829 73.8877 -24.3537 TIMING: 2132400 CPU: 6809.96, 0.00327945/step Wall: 6809.96, 0.00327945/step, 2.61227 hours remaining, 241.578125 MB of memory in use. ENERGY: 2132400 3967.0988 20420.0105 14525.0114 241.7680 -203771.0901 2871.0818 0.0000 0.0000 51794.0522 -109952.0673 297.6611 -161746.1196 -109596.9062 298.0891 140.6742 172.1359 762852.6292 -12.3836 -12.4348 PRESSURE: 2132600 13.0042 -22.5553 -18.0297 -22.5545 -149.418 -31.8553 -18.0301 -31.8564 -216.095 GPRESSURE: 2132600 -51.0108 -16.041 -88.7291 -116.32 -55.3018 -22.2828 -131.183 -17.9276 -168.208 PRESSAVG: 2132600 19.7812 18.3616 -19.7043 18.3615 -54.5654 -20.0473 -19.7043 -20.0474 25.1174 GPRESSAVG: 2132600 19.6089 19.8775 -21.7298 17.5681 -54.0678 -18.4727 -19.4276 -18.5918 25.2956 TIMING: 2132600 CPU: 6810.6, 0.00318452/step Wall: 6810.6, 0.00318452/step, 2.53647 hours remaining, 241.648438 MB of memory in use. ENERGY: 2132600 4036.7506 20415.9436 14471.0646 237.3304 -203855.3401 2819.4107 0.0000 0.0000 52135.1013 -109739.7388 299.6211 -161874.8401 -109382.6612 298.3478 -117.5031 -91.5068 761661.9401 -3.2222 -3.0544 PRESSURE: 2132800 228.066 123.784 7.78675 123.783 33.0832 -4.86249 7.7862 -4.86084 -33.9463 GPRESSURE: 2132800 293.585 23.6139 42.8028 211.359 114.84 -64.0442 -92.4906 -49.2961 -84.1774 PRESSAVG: 2132800 17.683 -33.4724 39.4388 -33.4724 -59.0061 -14.4356 39.4388 -14.4356 22.763 GPRESSAVG: 2132800 18.3895 -33.3398 40.1022 -34.2485 -60.0207 -15.3993 38.1279 -16.8015 22.8521 TIMING: 2132800 CPU: 6811.23, 0.00314596/step Wall: 6811.23, 0.00314596/step, 2.50558 hours remaining, 241.648438 MB of memory in use. ENERGY: 2132800 3889.3270 20426.5109 14487.9584 255.6660 -203134.9868 2534.5723 0.0000 0.0000 51902.7107 -109638.2415 298.2856 -161540.9522 -109275.9403 298.7652 75.7344 108.0826 762774.6433 -6.1867 -6.2597 PRESSURE: 2133000 -103.21 64.1203 34.7946 64.1201 -73.5931 -105.596 34.7951 -105.596 -455.742 GPRESSURE: 2133000 -107.246 25.082 80.6986 -36.1291 -32.2422 -104.593 36.1447 88.5995 -410.568 PRESSAVG: 2133000 10.0391 -22.9647 -1.72572 -22.9647 15.9129 37.2932 -1.72567 37.2932 18.8536 GPRESSAVG: 2133000 8.83763 -24.753 -1.83789 -21.3406 16.913 37.1202 1.13069 40.3241 18.4766 TIMING: 2133000 CPU: 6811.86, 0.00315974/step Wall: 6811.86, 0.00315974/step, 2.51638 hours remaining, 241.648438 MB of memory in use. ENERGY: 2133000 4061.0557 20359.3813 14439.1716 243.1703 -202981.1191 2149.4759 0.0000 0.0000 51947.2903 -109781.5741 298.5418 -161728.8644 -109414.4335 299.0273 -210.8485 -183.3519 762054.9046 14.9352 14.7424 PRESSURE: 2133200 -163.995 -186.203 293.496 -186.203 -201.22 93.7301 293.497 93.7299 161.99 GPRESSURE: 2133200 -106.996 -259.254 325.119 -148.121 -165.861 66.7837 203.378 92.3838 151.704 PRESSAVG: 2133200 34.2103 -51.9048 8.97019 -51.9049 -17.4778 20.2917 8.9702 20.2917 -4.44897 GPRESSAVG: 2133200 35.4632 -50.3613 8.80869 -52.066 -17.4607 19.786 7.42314 22.2429 -4.91522 TIMING: 2133200 CPU: 6812.49, 0.0031452/step Wall: 6812.49, 0.0031452/step, 2.50463 hours remaining, 241.648438 MB of memory in use. ENERGY: 2133200 3918.5850 20224.0939 14457.8542 230.2929 -203177.7731 2401.3876 0.0000 0.0000 52119.2450 -109826.3146 299.5300 -161945.5596 -109460.0136 298.3182 -67.7416 -40.3843 762168.6554 4.0945 4.3624 PRESSURE: 2133400 -226.391 78.1168 -21.8265 78.117 -66.8986 158.831 -21.8263 158.832 25.7963 GPRESSURE: 2133400 -240.383 94.2239 21.74 -45.2638 58.8601 155.08 152.963 102.11 -6.85898 PRESSAVG: 2133400 -9.23288 -10.3986 35.1629 -10.3986 -49.6379 48.9365 35.1628 48.9365 0.66829 GPRESSAVG: 2133400 -9.02446 -11.8852 35.9904 -10.5219 -50.3217 49.2599 36.6347 45.6487 0.753988 TIMING: 2133400 CPU: 6813.12, 0.00316068/step Wall: 6813.12, 0.00316068/step, 2.51678 hours remaining, 241.648438 MB of memory in use. ENERGY: 2133400 3969.6958 20495.7020 14420.9418 253.5562 -203195.1168 2555.5426 0.0000 0.0000 51999.3831 -109500.2954 298.8412 -161499.6785 -109140.2298 298.4946 -89.1644 -62.7938 763858.5555 -19.4008 -19.5307 PRESSURE: 2133600 -73.2584 -145.711 39.9409 -145.71 -21.3822 105.75 39.9416 105.749 -69.8122 GPRESSURE: 2133600 -61.6835 -74.3482 -11.6436 -32.2818 -68.9133 30.4079 -128.226 168.239 41.7328 PRESSAVG: 2133600 -27.2503 -69.9747 -4.48864 -69.9747 54.0738 29.8287 -4.48867 29.8288 8.81767 GPRESSAVG: 2133600 -28.1145 -69.3278 -5.59773 -70.4175 54.0627 30.028 -4.08645 30.4968 9.56941 TIMING: 2133600 CPU: 6813.75, 0.00316402/step Wall: 6813.75, 0.00316402/step, 2.51926 hours remaining, 241.648438 MB of memory in use. ENERGY: 2133600 3932.5592 20435.4451 14503.5290 242.2362 -203112.3025 2417.9469 0.0000 0.0000 51836.2272 -109744.3589 297.9035 -161580.5861 -109380.5636 299.0329 -54.8176 -29.6213 761098.9448 11.8804 11.8392 PRESSURE: 2133800 196.415 48.744 -181.135 48.7441 213.993 50.3683 -181.136 50.3679 62.5656 GPRESSURE: 2133800 199.4 26.5131 -223.059 61.2513 207.899 93.0699 -90.8278 13.3952 142.998 PRESSAVG: 2133800 60.2291 -43.3278 8.40189 -43.3279 -50.7235 1.91563 8.40186 1.91564 24.474 GPRESSAVG: 2133800 61.6282 -43.5622 6.70089 -44.4864 -51.8342 1.44119 4.98103 3.86511 24.0448 TIMING: 2133800 CPU: 6814.39, 0.00317068/step Wall: 6814.39, 0.00317068/step, 2.52439 hours remaining, 241.648438 MB of memory in use. ENERGY: 2133800 3908.3214 20657.0226 14442.5053 239.2198 -203675.9461 2953.6776 0.0000 0.0000 51971.3278 -109503.8717 298.6799 -161475.1994 -109145.6178 298.5997 157.6577 183.4323 762213.7000 11.3265 11.2796 PRESSURE: 2134000 -21.9521 21.6975 22.8585 21.6964 4.16138 -0.259033 22.8581 -0.259188 -96.1668 GPRESSURE: 2134000 -42.7587 -12.266 56.6084 5.06669 102.949 37.0438 127.63 20.5882 -93.1728 PRESSAVG: 2134000 -43.0337 -22.6242 20.4307 -22.6242 53.9556 8.28649 20.4306 8.28648 20.6611 GPRESSAVG: 2134000 -45.202 -22.1239 22.6677 -22.6269 57.1688 8.59974 22.0964 5.7318 19.9356 TIMING: 2134000 CPU: 6815.02, 0.00317392/step Wall: 6815.02, 0.00317392/step, 2.52679 hours remaining, 241.648438 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: 2134000 4072.9136 20594.4257 14488.2927 246.5249 -203386.6528 2737.6112 0.0000 0.0000 52033.1099 -109213.7746 299.0350 -161246.8846 -108853.8407 299.2228 -37.9858 -10.9942 763492.9813 10.5276 10.6341 PRESSURE: 2134200 -240.013 3.39872 -95.074 3.3989 -64.9313 -11.3181 -95.0729 -11.3178 40.6798 GPRESSURE: 2134200 -185.259 13.9965 -177.136 121.106 -2.61868 -10.279 -64.016 94.7251 14.1668 PRESSAVG: 2134200 -12.2461 -59.2632 -6.3859 -59.2631 3.87323 -28.2885 -6.38588 -28.2884 -28.9256 GPRESSAVG: 2134200 -10.6983 -59.2525 -6.91318 -57.8588 2.49478 -28.9813 -5.6059 -26.1205 -29.2241 TIMING: 2134200 CPU: 6815.65, 0.00316102/step Wall: 6815.65, 0.00316102/step, 2.51634 hours remaining, 241.648438 MB of memory in use. ENERGY: 2134200 3976.2205 20508.4892 14432.4089 243.6627 -203283.9864 2835.8603 0.0000 0.0000 52019.0112 -109268.3336 298.9540 -161287.3448 -108900.6065 299.5071 -88.0881 -57.9035 763949.9604 -12.4328 -12.4759 PRESSURE: 2134400 -68.5417 50.5877 -132.144 50.5879 111.502 -245.435 -132.144 -245.436 -234.775 GPRESSURE: 2134400 24.0293 3.25811 -77.8568 28.9763 40.4596 -227.832 -39.9131 -256.875 -192.096 PRESSAVG: 2134400 -36.7767 -25.2229 9.46247 -25.2228 42.1096 27.0018 9.46246 27.0018 0.730188 GPRESSAVG: 2134400 -37.2435 -23.522 8.82444 -27.3187 41.8636 28.2251 9.88241 25.9624 1.59796 TIMING: 2134400 CPU: 6816.29, 0.00317753/step Wall: 6816.29, 0.00317753/step, 2.52932 hours remaining, 241.648438 MB of memory in use. ENERGY: 2134400 3991.4057 20528.4145 14496.1528 216.0124 -203523.8259 2891.8185 0.0000 0.0000 51940.1620 -109459.8599 298.5008 -161400.0219 -109107.4255 298.6238 -63.9381 -42.5358 763359.6783 2.0211 2.0727 PRESSURE: 2134600 -9.93773 -167.573 20.0461 -167.574 -21.8261 -151.474 20.0458 -151.474 527.275 GPRESSURE: 2134600 -37.983 -134.331 25.3272 -215.473 93.4558 -163.381 122.46 -204.702 533.516 PRESSAVG: 2134600 10.6017 -33.2968 -4.97448 -33.2969 -2.21142 -2.93937 -4.97453 -2.93938 -14.1569 GPRESSAVG: 2134600 10.0856 -34.356 -3.33639 -31.3242 -1.85781 -1.73493 -6.26152 -3.74072 -14.3704 TIMING: 2134600 CPU: 6816.93, 0.00319449/step Wall: 6816.93, 0.00319449/step, 2.54264 hours remaining, 241.648438 MB of memory in use. ENERGY: 2134600 3934.2026 20496.0713 14535.3862 232.2629 -203816.4495 3000.0957 0.0000 0.0000 52201.8617 -109416.5690 300.0048 -161618.4307 -109051.9444 298.9991 165.1704 196.3297 762265.0210 -1.9222 -2.0475 PRESSURE: 2134800 32.1299 34.405 168.08 34.4046 214.009 7.46308 168.079 7.46312 -233.704 GPRESSURE: 2134800 2.6319 88.0652 151.693 40.588 219.567 -13.5132 53.9631 67.4869 -124.033 PRESSAVG: 2134800 38.1018 -32.0142 -5.36211 -32.0142 53.6195 -26.176 -5.36211 -26.1759 13.2886 GPRESSAVG: 2134800 38.0367 -32.9556 -6.30962 -31.7344 52.7113 -26.4541 -4.71626 -28.6981 14.4226 TIMING: 2134800 CPU: 6817.56, 0.00317448/step Wall: 6817.56, 0.00317448/step, 2.52654 hours remaining, 241.648438 MB of memory in use. ENERGY: 2134800 3985.8399 20592.0208 14410.2016 263.6714 -203266.8126 2694.8012 0.0000 0.0000 52189.2813 -109130.9965 299.9325 -161320.2778 -108774.9019 299.3376 4.1452 32.7223 763246.6695 35.0033 35.0568 PRESSURE: 2135000 -489.48 -114.607 -63.3001 -114.606 -677.414 -37.4951 -63.2994 -37.495 -314.339 GPRESSURE: 2135000 -452.582 -101.037 31.2281 -27.4896 -628.865 -122.586 -3.73542 59.6968 -301.587 PRESSAVG: 2135000 -22.2096 -30.5212 -20.6607 -30.5212 6.32652 -19.4309 -20.6606 -19.4309 -4.86147 GPRESSAVG: 2135000 -21.7439 -29.2109 -20.5828 -29.1826 6.0701 -20.4103 -23.0277 -15.9262 -4.69085 TIMING: 2135000 CPU: 6818.19, 0.00315341/step Wall: 6818.19, 0.00315341/step, 2.50959 hours remaining, 241.648438 MB of memory in use. ENERGY: 2135000 3972.3915 20581.3109 14533.7428 235.5552 -202637.6853 2169.1375 0.0000 0.0000 51883.5568 -109261.9906 298.1755 -161145.5474 -108895.4531 299.3849 -493.7445 -461.0114 765227.2693 -6.9148 -6.7882 PRESSURE: 2135200 -321.923 -17.5272 20.2815 -17.5266 -10.8209 33.596 20.2819 33.5956 -30.1837 GPRESSURE: 2135200 -277.767 -52.4384 15.5152 -22.3651 8.9595 44.3068 49.6415 65.655 -15.555 PRESSAVG: 2135200 40.5646 -20.8612 15.9483 -20.8612 -43.9814 -19.1749 15.9484 -19.1748 10.3665 GPRESSAVG: 2135200 40.8256 -21.6841 16.7289 -22.3827 -43.4166 -17.7845 18.9072 -20.7907 9.86281 TIMING: 2135200 CPU: 6818.83, 0.00316444/step Wall: 6818.83, 0.00316444/step, 2.51819 hours remaining, 241.648438 MB of memory in use. ENERGY: 2135200 3938.4336 20560.5285 14509.7813 244.8451 -203301.8547 2704.8657 0.0000 0.0000 52036.8553 -109306.5451 299.0565 -161343.4005 -108954.3969 298.9837 -120.9758 -94.7876 766131.2825 2.3166 2.4240 PRESSURE: 2135400 66.5022 -140.812 221.658 -140.812 -142.86 -138.394 221.657 -138.393 -86.6294 GPRESSURE: 2135400 168.057 -108.321 178.027 -105.46 -101.951 -248.289 187.672 -73.4957 -152 PRESSAVG: 2135400 9.59982 -15.8248 15.0527 -15.8249 30.9655 -14.2129 15.0528 -14.2129 8.54478 GPRESSAVG: 2135400 9.99322 -14.2221 14.3785 -17.8136 30.6913 -15.6545 12.2377 -11.7618 8.35805 TIMING: 2135400 CPU: 6819.46, 0.00318851/step Wall: 6819.46, 0.00318851/step, 2.53717 hours remaining, 241.648438 MB of memory in use. ENERGY: 2135400 4019.2122 20489.4235 14507.3402 252.3708 -203786.1672 3006.1288 0.0000 0.0000 52108.4639 -109403.2277 299.4681 -161511.6916 -109053.3126 299.0070 -54.3292 -28.6313 763985.2255 16.3700 16.3475 PRESSURE: 2135600 203.447 140.506 -31.9697 140.506 71.1695 -80.8351 -31.9696 -80.8348 126.454 GPRESSURE: 2135600 185.266 157.981 -18.8265 36.2706 146.006 -106.229 -69.2055 -151.35 148.278 PRESSAVG: 2135600 -7.07096 -75.9145 -2.84081 -75.9145 -14.8472 -4.16826 -2.84071 -4.16821 -14.4667 GPRESSAVG: 2135600 -8.0582 -75.9353 -2.14914 -76.8155 -14.8142 -2.46659 -0.0971952 -8.58675 -13.8239 TIMING: 2135600 CPU: 6820.1, 0.0031781/step Wall: 6820.1, 0.00317811/step, 2.52871 hours remaining, 241.648438 MB of memory in use. ENERGY: 2135600 4029.1669 20619.0185 14458.3407 239.8738 -203109.5738 2571.6432 0.0000 0.0000 52081.5875 -109109.9433 299.3136 -161191.5307 -108749.3147 298.6790 133.6901 159.8502 763783.8745 -12.1283 -12.2321 PRESSURE: 2135800 -286.047 -82.6622 -149.027 -82.6624 -467.481 -23.4945 -149.027 -23.4943 -91.4826 GPRESSURE: 2135800 -290.923 -186.451 -195.306 2.41792 -317.181 -93.9885 -94.2071 -5.05789 -119.017 PRESSAVG: 2135800 37.1985 5.50716 -13.1203 5.50718 -5.2276 55.2115 -13.1203 55.2116 29.6792 GPRESSAVG: 2135800 36.7048 1.32325 -13.8237 8.76279 -4.11742 55.5821 -16.2125 57.5929 29.4304 TIMING: 2135800 CPU: 6820.74, 0.00320004/step Wall: 6820.74, 0.00320004/step, 2.54598 hours remaining, 241.648438 MB of memory in use. ENERGY: 2135800 3908.3419 20405.5624 14494.7487 242.6899 -202966.1417 2430.9824 0.0000 0.0000 52368.9585 -109114.8579 300.9651 -161483.8164 -108740.0921 299.7287 -281.6703 -242.3741 764054.5667 20.5500 20.6726 PRESSURE: 2136000 5.7596 4.85387 50.2702 4.85393 -243.381 206.465 50.2699 206.465 130.042 GPRESSURE: 2136000 -5.91403 -28.7183 10.9939 8.43362 -215.895 92.432 135.277 101.087 156.881 PRESSAVG: 2136000 17.6282 -23.2652 -56.6592 -23.2653 -20.0712 53.7516 -56.6592 53.7515 -28.7244 GPRESSAVG: 2136000 18.1705 -20.2463 -56.3595 -25.7331 -20.3472 53.641 -56.1921 51.2324 -29.0283 TIMING: 2136000 CPU: 6821.37, 0.00317138/step Wall: 6821.37, 0.00317138/step, 2.52301 hours remaining, 241.648438 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: 2136000 4023.8516 20589.4561 14504.7359 240.7307 -203100.9469 2637.4910 0.0000 0.0000 52119.6907 -108984.9910 299.5326 -161104.6817 -108623.5442 299.8412 -35.8600 -21.6426 763253.5369 -10.3892 -10.4017 PRESSURE: 2136200 175.035 -138.487 69.3147 -138.487 -160.873 135.988 69.3142 135.988 259.695 GPRESSURE: 2136200 276.961 -142.832 69.4257 41.5309 -203.873 56.9698 230.283 175.596 305.513 PRESSAVG: 2136200 -5.85482 -57.0012 13.6516 -57.0012 -30.8073 7.02907 13.6516 7.02903 -3.82022 GPRESSAVG: 2136200 -4.65251 -56.1288 13.8365 -56.9722 -32.8111 4.94774 15.9226 8.80227 -2.30399 TIMING: 2136200 CPU: 6822.01, 0.00318918/step Wall: 6822.01, 0.00318918/step, 2.53699 hours remaining, 241.648438 MB of memory in use. ENERGY: 2136200 4011.1192 20335.0446 14557.8966 248.5605 -203207.8387 2870.4023 0.0000 0.0000 52334.3307 -108850.4849 300.7661 -161184.8156 -108471.4673 299.9135 91.2859 126.2004 763651.4337 -13.4941 -13.2559 LDB: ============= START OF LOAD BALANCING ============== 6834.46 LDB: ============== END OF LOAD BALANCING =============== 6834.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6834.47 LDB: ============= START OF LOAD BALANCING ============== 6834.78 LDB: Largest compute 7034 load 0.036176 is 18.5% of average load 0.195153 LDB: Average compute 0.004401 is 2.3% of average load 0.195153 LDB: TIME 6834.78 LOAD: AVG 0.195153 MAX 0.214431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.707 MB LDB: TIME 6834.79 LOAD: AVG 0.195153 MAX 0.214431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: TIME 6834.79 LOAD: AVG 0.195153 MAX 0.214431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: ============== END OF LOAD BALANCING =============== 6834.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6834.79 PRESSURE: 2136400 -341.541 -88.4695 -64.7655 -88.4695 -330.456 -40.0928 -64.7652 -40.0936 -99.7169 GPRESSURE: 2136400 -270.972 -83.7333 -87.489 -24.5908 -328.954 -73.7334 -83.739 -31.2124 -67.7665 PRESSAVG: 2136400 51.7397 -64.8546 9.41394 -64.8546 -45.7912 -9.22229 9.41397 -9.22222 8.39125 GPRESSAVG: 2136400 50.631 -65.1257 8.17027 -64.7623 -43.776 -8.79988 8.49988 -7.30609 7.2299 TIMING: 2136400 CPU: 6822.66, 0.00322761/step Wall: 6822.66, 0.00322761/step, 2.56739 hours remaining, 241.378906 MB of memory in use. ENERGY: 2136400 4087.6590 20547.0800 14527.9995 221.4942 -203201.3479 2572.2387 0.0000 0.0000 52534.7038 -108710.1727 301.9177 -161244.8765 -108344.3813 300.0312 -257.2377 -222.5643 762240.0770 4.7799 4.6950 PRESSURE: 2136600 245.317 -191.109 -45.5322 -191.109 -70.7459 -14.9431 -45.5318 -14.9434 -322.621 GPRESSURE: 2136600 268.554 -238.744 10.0295 -145.969 -27.4055 -8.28132 -70.1342 75.5676 -302.628 PRESSAVG: 2136600 20.8152 -34.8596 49.3685 -34.8596 13.7231 -26.1337 49.3685 -26.1337 -3.68942 GPRESSAVG: 2136600 21.9707 -37.8113 50.8404 -33.0517 13.1114 -24.5407 47.2301 -25.2006 -3.51955 TIMING: 2136600 CPU: 6823.29, 0.00318665/step Wall: 6823.29, 0.00318665/step, 2.53463 hours remaining, 241.582031 MB of memory in use. ENERGY: 2136600 3949.1906 20567.2780 14523.7448 248.8799 -203184.3715 2608.4550 0.0000 0.0000 52306.6319 -108980.1915 300.6069 -161286.8233 -108610.5838 300.8618 -49.3500 -20.4932 763732.7305 10.2830 10.5208 PRESSURE: 2136800 -134.65 -32.8902 -8.98757 -32.8899 43.7397 -179.214 -8.98658 -179.215 -45.2397 GPRESSURE: 2136800 -61.9944 -32.195 -2.35595 -96.1672 -30.1214 -200.129 -57.461 -220.086 15.492 PRESSAVG: 2136800 -53.1179 -40.4019 -45.7569 -40.4019 43.9896 -33.2464 -45.7569 -33.2464 6.39227 GPRESSAVG: 2136800 -54.538 -35.7906 -46.9416 -40.5811 45.2589 -34.0251 -42.0814 -33.4806 6.28149 TIMING: 2136800 CPU: 6823.92, 0.00314023/step Wall: 6823.92, 0.00314023/step, 2.49753 hours remaining, 241.582031 MB of memory in use. ENERGY: 2136800 3988.5657 20677.0588 14514.2449 264.1601 -203261.1650 2889.7702 0.0000 0.0000 52039.9928 -108887.3727 299.0746 -160927.3654 -108532.2949 300.2732 -45.3834 -25.5412 763143.7637 -0.9120 -0.9992 PRESSURE: 2137000 -159.721 12.4584 -240.945 12.4582 303.372 -21.7411 -240.945 -21.7414 156.938 GPRESSURE: 2137000 -10.1972 60.1558 -215.961 43.0377 259.142 17.159 -307.967 -244.958 108.464 PRESSAVG: 2137000 -57.7171 -9.245 -55.4312 -9.24505 79.6091 -39.3279 -55.4312 -39.3279 6.03645 GPRESSAVG: 2137000 -57.4969 -11.8455 -55.6483 -9.82417 79.1929 -38.555 -56.9754 -42.2181 5.76039 TIMING: 2137000 CPU: 6824.55, 0.00315119/step Wall: 6824.55, 0.00315119/step, 2.50607 hours remaining, 241.582031 MB of memory in use. ENERGY: 2137000 3963.1205 20594.1907 14491.6676 244.2934 -202920.2998 2344.8011 0.0000 0.0000 52423.6870 -108858.5394 301.2796 -161282.2264 -108485.6092 300.5371 100.1964 119.1364 764465.7508 9.3095 9.1521 PRESSURE: 2137200 304.038 24.0307 -99.469 24.0312 83.6662 130.144 -99.4698 130.144 153.029 GPRESSURE: 2137200 200.366 -64.2104 -109.83 98.152 219.954 200.099 -29.7026 45.5416 202.415 PRESSAVG: 2137200 -34.9545 -46.9859 -59.7064 -46.9859 53.7472 -25.8796 -59.7064 -25.8797 7.00767 GPRESSAVG: 2137200 -34.6108 -45.4314 -59.413 -48.8133 53.7603 -26.2113 -61.5908 -26.6726 6.89276 TIMING: 2137200 CPU: 6825.19, 0.00317007/step Wall: 6825.19, 0.00317007/step, 2.52091 hours remaining, 241.582031 MB of memory in use. ENERGY: 2137200 3974.2210 20593.2618 14486.4529 251.6414 -203375.8620 2828.8654 0.0000 0.0000 52038.3577 -109203.0618 299.0652 -161241.4195 -108848.9251 299.9716 180.2444 207.5784 762521.8650 8.6001 8.6808 PRESSURE: 2137400 -143.73 -275.01 -130.092 -275.01 80.9763 238.851 -130.091 238.851 115.733 GPRESSURE: 2137400 -122.225 -146.746 -194.906 -304.597 105.482 183.247 -34.7155 193.677 149.599 PRESSAVG: 2137400 -52.0265 -81.9163 -28.7495 -81.9164 25.2267 -8.47615 -28.7495 -8.47608 1.60565 GPRESSAVG: 2137400 -52.8133 -81.525 -27.1067 -81.4967 25.6631 -9.30246 -27.3711 -6.21717 1.74755 TIMING: 2137400 CPU: 6825.82, 0.00317661/step Wall: 6825.82, 0.00317661/step, 2.52594 hours remaining, 241.582031 MB of memory in use. ENERGY: 2137400 3922.2345 20505.9506 14511.4373 236.4681 -203395.0706 2793.4674 0.0000 0.0000 52114.2227 -109311.2900 299.5012 -161425.5127 -108950.8916 299.3861 17.6598 44.2853 764203.2472 -8.3980 -8.4676 PRESSURE: 2137600 -135.942 51.0393 103.491 51.0393 -126.83 -18.9033 103.492 -18.9037 338.107 GPRESSURE: 2137600 -64.1189 36.7352 168.697 10.3713 -96.5863 -19.6543 60.8719 -28.0618 299.876 PRESSAVG: 2137600 -65.019 -44.7611 14.3389 -44.7611 43.4856 -9.68622 14.339 -9.68619 -6.06211 GPRESSAVG: 2137600 -65.2619 -45.1945 12.2471 -43.8658 43.3 -9.32322 14.8691 -10.8195 -5.99053 TIMING: 2137600 CPU: 6826.46, 0.00318558/step Wall: 6826.46, 0.00318558/step, 2.53289 hours remaining, 241.582031 MB of memory in use. ENERGY: 2137600 3930.5555 20548.3010 14426.3429 242.3489 -203295.3113 2707.3165 0.0000 0.0000 52257.9670 -109182.4794 300.3273 -161440.4464 -108819.3134 299.3477 25.1117 46.3902 762729.2276 -9.1985 -9.3175 PRESSURE: 2137800 84.2507 -134.904 31.7601 -134.904 67.9281 -233.79 31.7604 -233.79 405.637 GPRESSURE: 2137800 166.313 -136.871 42.8999 -196.735 81.1725 -154.249 -103.44 -79.8018 384.772 PRESSAVG: 2137800 -2.47342 35.3823 44.9577 35.3823 5.36775 26.4757 44.9577 26.4756 -6.24971 GPRESSAVG: 2137800 -1.72598 34.1795 46.2731 34.9353 5.1027 27.2995 44.194 26.7799 -6.65232 TIMING: 2137800 CPU: 6827.09, 0.00317216/step Wall: 6827.09, 0.00317216/step, 2.52205 hours remaining, 241.582031 MB of memory in use. ENERGY: 2137800 3967.3741 20492.9086 14517.7830 251.4556 -203378.8463 2997.4207 0.0000 0.0000 52058.4737 -109093.4305 299.1808 -161151.9042 -108727.8946 299.8017 185.9385 210.7524 763299.3427 -1.1185 -1.0919 PRESSURE: 2138000 68.1452 21.8181 56.2055 21.8174 127.914 -262.49 56.2049 -262.49 68.1371 GPRESSURE: 2138000 137.764 19.3989 57.4888 -0.69239 96.2523 -278.671 123.492 -122.066 109.099 PRESSAVG: 2138000 -8.95736 -24.5501 -8.8353 -24.5501 -32.3868 -7.36922 -8.83542 -7.36918 22.6982 GPRESSAVG: 2138000 -7.80682 -24.7636 -8.77824 -22.9731 -33.8184 -8.57065 -9.04201 -6.65689 23.2681 TIMING: 2138000 CPU: 6827.73, 0.00320059/step Wall: 6827.73, 0.00320059/step, 2.54447 hours remaining, 241.582031 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: 2138000 4000.3208 20735.6570 14466.8628 243.7673 -203006.3983 2495.1382 0.0000 0.0000 51949.8893 -109114.7629 298.5567 -161064.6522 -108763.7664 299.8192 88.0654 114.3719 762867.1977 -6.2153 -6.1190 PRESSURE: 2138200 217.274 87.1758 -86.8558 87.1757 160.985 -32.4125 -86.8564 -32.4123 -115.214 GPRESSURE: 2138200 287.646 101.005 -62.762 33.1322 167.75 -39.7701 10.2668 -196.356 -95.6493 PRESSAVG: 2138200 12.7498 -21.92 -38.1642 -21.9199 -7.86901 -8.01879 -38.1642 -8.01882 5.92507 GPRESSAVG: 2138200 11.8853 -21.9806 -38.8776 -23.3607 -6.79683 -7.90279 -37.7398 -7.31737 6.0234 TIMING: 2138200 CPU: 6828.37, 0.00319519/step Wall: 6828.37, 0.00319519/step, 2.54 hours remaining, 241.582031 MB of memory in use. ENERGY: 2138200 3927.6975 20504.6667 14481.9410 248.4716 -203534.6078 2926.8612 0.0000 0.0000 52015.1227 -109429.8471 298.9316 -161444.9698 -109058.5062 299.8390 87.6818 119.9155 763039.1414 3.6020 3.7040 PRESSURE: 2138400 -34.5617 -282.35 -167.914 -282.35 -152.085 -143.545 -167.914 -143.545 -177.378 GPRESSURE: 2138400 91.2337 -248.235 -129.98 -209.472 -139.617 -127.78 -193.47 -148.166 -252.607 PRESSAVG: 2138400 36.6619 18.8033 -50.89 18.8033 -26.0935 -8.88284 -50.89 -8.88278 -1.48919 GPRESSAVG: 2138400 36.8025 18.4554 -50.9369 19.095 -25.861 -8.93049 -52.5513 -11.866 -1.88427 TIMING: 2138400 CPU: 6829.01, 0.00318061/step Wall: 6829.01, 0.00318061/step, 2.52823 hours remaining, 241.582031 MB of memory in use. ENERGY: 2138400 3992.4698 20538.8538 14454.2578 253.2234 -203025.9434 2513.4574 0.0000 0.0000 51701.9452 -109571.7360 297.1318 -161273.6812 -109219.5277 299.0266 -121.3415 -100.3300 763035.5741 3.0264 3.0191 PRESSURE: 2138600 -72.8179 -195.513 -97.1775 -195.512 104.091 -41.1482 -97.178 -41.1495 -217.357 GPRESSURE: 2138600 -52.7342 -95.5257 -173.738 -176.955 79.7589 -81.5707 -140.272 180.432 -116.004 PRESSAVG: 2138600 -28.442 20.3009 -3.07789 20.3009 37.9136 3.29287 -3.07791 3.29288 -5.51808 GPRESSAVG: 2138600 -27.295 20.6802 -3.86109 21.237 36.4515 3.69069 -1.18017 5.82853 -5.37098 TIMING: 2138600 CPU: 6829.64, 0.00315966/step Wall: 6829.64, 0.00315966/step, 2.51141 hours remaining, 241.582031 MB of memory in use. ENERGY: 2138600 3949.4487 20581.9837 14433.0731 237.7860 -203337.0609 2564.5785 0.0000 0.0000 51957.7355 -109612.4554 298.6018 -161570.1910 -109255.0021 298.5554 -62.0280 -29.6598 762338.4804 1.3178 1.2619 PRESSURE: 2138800 -333.625 101.812 47.3379 101.811 -480.489 -59.4991 47.3382 -59.4986 215.146 GPRESSURE: 2138800 -373.105 -32.4523 125.529 20.0292 -381.488 -24.203 85.2121 88.9995 219.12 PRESSAVG: 2138800 -46.511 -30.3622 8.60366 -30.3622 36.9213 -21.3374 8.60362 -21.3375 22.1897 GPRESSAVG: 2138800 -46.582 -29.0466 10.6999 -33.6924 38.2837 -20.1143 7.38696 -21.6896 21.0602 TIMING: 2138800 CPU: 6830.28, 0.00319967/step Wall: 6830.28, 0.00319967/step, 2.54302 hours remaining, 241.582031 MB of memory in use. ENERGY: 2138800 4055.5652 20521.3647 14476.1870 253.8207 -203747.6785 2831.0281 0.0000 0.0000 52010.4185 -109599.2942 298.9046 -161609.7128 -109242.1705 299.0974 -199.6561 -178.4909 763138.3295 4.2000 4.2539 PRESSURE: 2139000 62.1501 1.69834 244.692 1.69836 568.052 9.38337 244.692 9.38222 67.0705 GPRESSURE: 2139000 39.5409 58.6094 260.96 -64.1015 564.277 -8.81982 297.381 -4.78999 168.027 PRESSAVG: 2139000 4.78883 -3.041 -60.3166 -3.04104 29.7032 15.0678 -60.3166 15.0679 -1.21517 GPRESSAVG: 2139000 3.7479 -6.25942 -62.0319 1.60892 30.3266 13.6699 -60.4476 14.8185 -0.554884 TIMING: 2139000 CPU: 6830.92, 0.00318932/step Wall: 6830.92, 0.00318932/step, 2.53463 hours remaining, 241.582031 MB of memory in use. ENERGY: 2139000 3890.2891 20645.8705 14460.9434 245.4860 -203404.5563 2734.4830 0.0000 0.0000 51879.4834 -109548.0008 298.1521 -161427.4843 -109187.2215 298.5662 232.4241 257.2816 761666.2114 11.0923 11.1732 PRESSURE: 2139200 -718.72 -18.527 -390.222 -18.5263 -321.718 -25.8115 -390.223 -25.8116 -594.826 GPRESSURE: 2139200 -690.517 28.774 -350.215 -62.5692 -355.16 -14.0016 -202.762 15.7425 -513.199 PRESSAVG: 2139200 51.0907 1.30718 -4.62704 1.30718 31.0252 -2.95729 -4.62706 -2.95723 0.59734 GPRESSAVG: 2139200 52.3966 3.65812 -3.96368 -2.75695 28.6126 -0.709821 -5.40523 -5.12601 1.87492 TIMING: 2139200 CPU: 6831.55, 0.00316878/step Wall: 6831.55, 0.00316878/step, 2.51813 hours remaining, 241.582031 MB of memory in use. ENERGY: 2139200 4012.1959 20466.2101 14420.1771 264.9101 -202978.5733 2329.2727 0.0000 0.0000 51816.0560 -109669.7513 297.7876 -161485.8074 -109304.3542 298.4743 -545.0881 -519.6253 762725.5536 27.5711 27.6280 PRESSURE: 2139400 -189.896 -110.303 56.1136 -110.304 -100.712 442.95 56.1137 442.95 171.555 GPRESSURE: 2139400 -107.489 -120.614 101.905 -39.5941 -11.499 356.409 37.2535 291.652 71.6481 PRESSAVG: 2139400 -60.9614 -2.5531 -50.1307 -2.55307 31.867 81.5603 -50.1307 81.5603 16.1754 GPRESSAVG: 2139400 -62.4141 -0.728564 -50.577 -0.980611 33.4604 80.7824 -48.5779 80.6941 16.3146 TIMING: 2139400 CPU: 6832.19, 0.00318404/step Wall: 6832.19, 0.00318404/step, 2.53007 hours remaining, 241.582031 MB of memory in use. ENERGY: 2139400 3932.0648 20480.0577 14444.5737 245.8088 -203360.1452 2422.5930 0.0000 0.0000 51989.5733 -109845.4740 298.7848 -161835.0473 -109482.9965 298.3145 -39.6843 -15.7800 760824.1125 -4.3063 -4.2130 PRESSURE: 2139600 -110.208 -270.76 -114.172 -270.76 -201.236 -32.9752 -114.171 -32.9761 -99.8405 GPRESSURE: 2139600 9.08627 -188.269 -130.245 -250.416 -215.308 -58.1151 -193.422 -165.644 -138.972 PRESSAVG: 2139600 17.5207 -36.8081 -35.0586 -36.8081 -26.9186 4.82184 -35.0586 4.8218 10.3389 GPRESSAVG: 2139600 18.5781 -39.2504 -35.3655 -34.412 -26.2261 3.26124 -36.2432 6.17637 8.49686 TIMING: 2139600 CPU: 6832.83, 0.00318095/step Wall: 6832.83, 0.00318095/step, 2.52744 hours remaining, 241.582031 MB of memory in use. ENERGY: 2139600 3925.5787 20604.3596 14466.7029 262.7288 -203297.0102 2376.2006 0.0000 0.0000 51863.8538 -109797.5857 298.0623 -161661.4395 -109434.4893 298.3316 -137.0946 -115.0646 760010.4368 0.3137 0.2830 PRESSURE: 2139800 -104.217 39.5632 61.6684 39.5628 10.4158 -313.206 61.6691 -313.206 -214.928 GPRESSURE: 2139800 -94.2412 39.4007 8.96719 -33.7292 68.7104 -234.604 -75.6186 -392.489 -188.223 PRESSAVG: 2139800 -0.807295 -46.5227 -2.3585 -46.5226 -1.66519 -17.4855 -2.35847 -17.4856 -14.7628 GPRESSAVG: 2139800 -1.61976 -46.443 -3.81395 -48.5626 -1.59429 -14.3533 -2.78699 -18.8675 -13.4978 TIMING: 2139800 CPU: 6833.46, 0.00317627/step Wall: 6833.46, 0.00317627/step, 2.52355 hours remaining, 241.582031 MB of memory in use. ENERGY: 2139800 3997.3178 20414.8225 14412.4183 245.6765 -203808.0960 2727.7953 0.0000 0.0000 52107.0818 -109902.9839 299.4601 -162010.0657 -109534.8225 298.8973 -102.9096 -71.2513 759688.5850 -5.7451 -5.5706 PRESSURE: 2140000 6.20712 47.5984 -199.317 47.5976 -199.284 -33.7339 -199.319 -33.7337 -177.473 GPRESSURE: 2140000 15.8494 -44.4562 -222.633 30.1468 -148.673 -39.838 -159.686 -85.4754 -142.59 PRESSAVG: 2140000 -60.3895 -66.5034 10.1804 -66.5033 72.403 -73.8225 10.1805 -73.8226 13.6798 GPRESSAVG: 2140000 -61.1354 -66.0716 10.6225 -66.4175 72.7535 -76.4841 13.8826 -73.4615 13.3244 TIMING: 2140000 CPU: 6834.1, 0.00321481/step Wall: 6834.1, 0.00321481/step, 2.55399 hours remaining, 241.582031 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: 2140000 3988.2304 20573.0831 14434.2871 237.9126 -203812.0112 2707.9941 0.0000 0.0000 51999.8313 -109870.6726 298.8437 -161870.5039 -109510.0218 298.0531 -123.5164 -91.8046 760956.6802 8.5644 8.3142 PRESSURE: 2140200 -179.225 -88.1461 -1.47115 -88.1469 87.3755 -121.324 -1.47052 -121.324 33.7603 GPRESSURE: 2140200 -77.4722 -49.4444 -38.5553 -139.187 114.544 -113.416 -151.992 -89.9661 -10.6645 PRESSAVG: 2140200 -17.0399 -47.549 -26.0038 -47.549 16.0447 25.9726 -26.0038 25.9725 2.30838 GPRESSAVG: 2140200 -16.5775 -47.0611 -25.7845 -49.3574 15.2302 26.5675 -27.8387 29.1806 2.94303 TIMING: 2140200 CPU: 6834.74, 0.00317319/step Wall: 6834.74, 0.00317319/step, 2.52075 hours remaining, 241.582031 MB of memory in use. ENERGY: 2140200 3966.5082 20458.4453 14451.5634 260.5987 -203402.5851 2498.7510 0.0000 0.0000 51794.2008 -109972.5176 297.6620 -161766.7185 -109608.8950 298.0299 -19.3632 8.8025 762063.6115 0.4377 0.5319 LDB: ============= START OF LOAD BALANCING ============== 6847.19 LDB: ============== END OF LOAD BALANCING =============== 6847.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6847.2 LDB: ============= START OF LOAD BALANCING ============== 6847.51 LDB: Largest compute 7034 load 0.034235 is 17.5% of average load 0.195238 LDB: Average compute 0.004392 is 2.2% of average load 0.195238 LDB: TIME 6847.52 LOAD: AVG 0.195238 MAX 0.215343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 6847.52 LOAD: AVG 0.195238 MAX 0.215343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 6847.52 LOAD: AVG 0.195238 MAX 0.215343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 6847.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6847.52 PRESSURE: 2140400 116.817 -192.321 -50.949 -192.32 -204.414 128.055 -50.9476 128.055 -74.5864 GPRESSURE: 2140400 106.298 -123.904 18.9297 -110.322 -196.688 188.209 -50.8867 86.4318 -14.554 PRESSAVG: 2140400 7.34235 -44.1522 16.9193 -44.1522 61.009 -43.5468 16.9193 -43.5468 10.3102 GPRESSAVG: 2140400 7.1177 -46.4982 15.9716 -41.615 61.42 -44.5848 15.1891 -43.6212 10.4992 TIMING: 2140400 CPU: 6835.39, 0.0032498/step Wall: 6835.39, 0.0032498/step, 2.58143 hours remaining, 240.808594 MB of memory in use. ENERGY: 2140400 4013.3591 20535.3710 14453.7306 242.2530 -203865.8384 2754.0743 0.0000 0.0000 51954.4326 -109912.6179 298.5828 -161867.0505 -109554.6128 298.3183 -54.0613 -34.9813 760938.5772 26.2205 26.3456 PRESSURE: 2140600 -8.32453 60.8739 170.242 60.8739 252.513 50.3384 170.243 50.3376 97.3867 GPRESSURE: 2140600 127.933 31.3501 120.798 95.8611 209.45 33.3938 247.584 -64.0348 85.664 PRESSAVG: 2140600 -0.591459 19.7805 11.8499 19.7805 35.2709 -33.3152 11.8498 -33.3152 -7.30891 GPRESSAVG: 2140600 -1.6759 21.2291 12.318 19.057 36.6647 -32.5424 10.8469 -34.6018 -7.79467 TIMING: 2140600 CPU: 6836.02, 0.00317655/step Wall: 6836.02, 0.00317655/step, 2.52306 hours remaining, 241.007812 MB of memory in use. ENERGY: 2140600 4054.8078 20447.5198 14450.2857 265.3312 -203855.8582 2848.0426 0.0000 0.0000 51872.1546 -109917.7165 298.1100 -161789.8710 -109568.4119 298.4071 113.8582 141.0156 761133.6056 9.1235 9.0647 PRESSURE: 2140800 -159.458 -104.633 -28.6096 -104.632 -119.943 68.4544 -28.6093 68.4549 -113.419 GPRESSURE: 2140800 -53.3364 -12.2851 -0.786177 -102.28 -104.709 23.8823 -122.061 -18.6522 -151.263 PRESSAVG: 2140800 62.8901 -23.3694 -32.3418 -23.3694 -24.9102 -49.592 -32.3419 -49.5921 4.80226 GPRESSAVG: 2140800 66.0222 -23.096 -31.0443 -23.0526 -26.7627 -50.2936 -30.4708 -50.1601 3.44655 TIMING: 2140800 CPU: 6836.66, 0.00318059/step Wall: 6836.66, 0.00318059/step, 2.5261 hours remaining, 241.007812 MB of memory in use. ENERGY: 2140800 3986.8538 20338.4031 14473.1585 242.5227 -203319.6329 2438.0593 0.0000 0.0000 51658.7414 -110181.8941 296.8835 -161840.6355 -109814.9291 297.5122 -130.9400 -103.1029 761602.8267 14.2607 14.2354 PRESSURE: 2141000 -300.138 144.098 79.8567 144.098 -56.0716 -31.4245 79.8574 -31.4249 207.92 GPRESSURE: 2141000 -148.361 153.894 103.675 -0.835951 -43.5896 -72.9568 111.364 18.7858 131.091 PRESSAVG: 2141000 1.14214 -62.1137 -31.4552 -62.1137 -28.2169 -6.83632 -31.4552 -6.83629 -12.766 GPRESSAVG: 2141000 -0.0721854 -60.3041 -33.0146 -63.757 -27.205 -4.98376 -32.2414 -8.04446 -12.267 TIMING: 2141000 CPU: 6837.29, 0.00316009/step Wall: 6837.29, 0.00316009/step, 2.50964 hours remaining, 241.007812 MB of memory in use. ENERGY: 2141000 3981.5830 20490.2140 14551.5241 232.9970 -203690.2670 2786.0260 0.0000 0.0000 51902.2665 -109745.6565 298.2830 -161647.9230 -109387.6671 297.6406 -49.4300 -20.2867 762870.3300 -13.2802 -13.1814 PRESSURE: 2141200 410.799 -163.535 213.172 -163.536 64.054 138.852 213.172 138.852 -130.919 GPRESSURE: 2141200 394.792 -153.731 176.539 -103.306 114.403 162.472 260.878 127.204 -88.1209 PRESSAVG: 2141200 -11.8299 11.1382 48.9101 11.1382 6.72783 13.9745 48.9102 13.9745 -0.883229 GPRESSAVG: 2141200 -12.6617 10.4163 49.4617 13.2244 6.95334 12.3116 47.5932 17.8242 -0.0983348 TIMING: 2141200 CPU: 6837.92, 0.00314508/step Wall: 6837.92, 0.00314508/step, 2.49754 hours remaining, 241.007812 MB of memory in use. ENERGY: 2141200 4068.5636 20318.7114 14487.6447 244.9949 -203487.6870 2653.3298 0.0000 0.0000 51844.7837 -109869.6590 297.9527 -161714.4427 -109510.4596 298.1058 114.6445 140.3581 760644.7315 -1.9951 -1.9356 PRESSURE: 2141400 228.94 29.5605 11.2913 29.5603 -405.146 -107.231 11.2913 -107.231 -380.02 GPRESSURE: 2141400 246.91 53.6231 -13.7244 -1.20844 -325.048 -72.064 109.937 -79.1632 -410.265 PRESSAVG: 2141400 -6.41015 23.584 28.2244 23.584 -0.0822493 -33.5275 28.2244 -33.5274 9.33939 GPRESSAVG: 2141400 -5.93197 21.5266 27.8107 24.8498 -0.332535 -33.2119 31.8035 -36.8326 9.37936 TIMING: 2141400 CPU: 6838.56, 0.00321526/step Wall: 6838.56, 0.00321526/step, 2.5531 hours remaining, 241.007812 MB of memory in use. ENERGY: 2141400 3942.1620 20323.1925 14486.1959 261.6483 -202992.5393 2477.0828 0.0000 0.0000 51682.1354 -109820.1226 297.0179 -161502.2579 -109452.0478 297.7568 -185.4088 -162.8009 762867.7873 0.9490 1.0383 PRESSURE: 2141600 177.204 -6.59792 -12.366 -6.59826 12.4506 104.14 -12.3661 104.14 -314.018 GPRESSURE: 2141600 194.675 4.46843 -55.6094 -48.3816 36.6383 143.556 29.9351 -10.7131 -275.99 PRESSAVG: 2141600 -22.0083 -44.2479 47.0446 -44.2479 11.3636 -63.3559 47.0446 -63.3559 5.62023 GPRESSAVG: 2141600 -21.2367 -43.4843 47.4679 -45.9478 9.95506 -63.3899 45.7319 -62.2682 5.92805 TIMING: 2141600 CPU: 6839.2, 0.00318034/step Wall: 6839.2, 0.00318034/step, 2.52519 hours remaining, 241.007812 MB of memory in use. ENERGY: 2141600 3968.4396 20449.5250 14464.3314 242.2623 -203645.5395 2718.5394 0.0000 0.0000 52099.9012 -109702.5406 299.4188 -161802.4418 -109326.9420 297.7659 -41.4543 -14.8923 763466.5365 -1.6748 -1.7845 PRESSURE: 2141800 139.046 -173.929 56.9337 -173.929 221.026 142.695 56.9344 142.693 62.3406 GPRESSURE: 2141800 155.782 -16.6868 43.6608 -179.667 260.003 125.783 -78.0955 212.329 103.978 PRESSAVG: 2141800 -1.73263 -56.9869 25.8455 -56.9869 -0.86305 7.71179 25.8455 7.71177 -0.459705 GPRESSAVG: 2141800 -1.95478 -57.4331 25.6967 -53.9301 -0.448867 8.48151 25.4617 7.83615 -0.388902 TIMING: 2141800 CPU: 6839.84, 0.00321323/step Wall: 6839.84, 0.00321323/step, 2.55113 hours remaining, 241.007812 MB of memory in use. ENERGY: 2141800 4004.4750 20516.9747 14460.9862 259.9571 -203773.0499 2821.4583 0.0000 0.0000 52220.3794 -109488.8192 300.1112 -161709.1986 -109130.5228 298.7612 140.8042 173.2543 761183.6252 -1.0185 -0.9308 PRESSURE: 2142000 101.934 -154.507 112.052 -154.508 141.918 48.821 112.051 48.8216 76.4179 GPRESSURE: 2142000 191.629 -144.067 130.295 15.5559 167.675 54.0362 18.3258 38.6189 52.7217 PRESSAVG: 2142000 -25.8126 -20.7513 -41.383 -20.7512 37.1596 40.494 -41.383 40.494 12.9366 GPRESSAVG: 2142000 -24.6922 -21.1052 -39.6442 -22.5067 38.3901 39.1521 -43.9416 41.8523 11.5635 TIMING: 2142000 CPU: 6840.48, 0.00317488/step Wall: 6840.48, 0.00317488/step, 2.5205 hours remaining, 241.007812 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: 2142000 4060.7238 20624.4391 14533.5154 231.5165 -203481.1154 2761.8305 0.0000 0.0000 51795.3366 -109473.7536 297.6685 -161269.0902 -109116.5863 299.1949 106.7569 137.3419 761647.7254 8.0945 8.4205 PRESSURE: 2142200 104.943 212.799 134.447 212.799 287.509 -144.85 134.447 -144.85 289.143 GPRESSURE: 2142200 113.314 116.422 127.621 204.086 333.736 6.79157 116.217 -173.646 326.63 PRESSAVG: 2142200 -45.3967 -40.7409 12.1251 -40.7409 1.95869 39.9051 12.1251 39.9052 -15.8346 GPRESSAVG: 2142200 -45.6785 -40.2467 10.574 -40.3231 0.324266 39.9925 15.3507 38.3377 -13.8693 TIMING: 2142200 CPU: 6841.12, 0.00319306/step Wall: 6841.12, 0.00319306/step, 2.53476 hours remaining, 241.007812 MB of memory in use. ENERGY: 2142200 3892.1290 20594.1253 14445.3881 257.1665 -203436.1989 2685.8319 0.0000 0.0000 51995.1667 -109566.3915 298.8169 -161561.5581 -109202.6877 299.0296 227.1984 257.8932 762497.5927 -19.7576 -19.7412 PRESSURE: 2142400 62.1515 -156.87 -17.9748 -156.871 90.0002 181.703 -17.9749 181.703 424.286 GPRESSURE: 2142400 150.051 -141.301 -58.7154 -80.2953 47.2367 161.648 -47.6177 156.337 471.762 PRESSAVG: 2142400 70.3825 -34.2488 1.06026 -34.2487 -43.6761 19.5475 1.0603 19.5476 -2.95123 GPRESSAVG: 2142400 69.4227 -33.1501 4.22403 -33.7531 -42.125 20.4833 -1.03226 18.4052 -3.3436 TIMING: 2142400 CPU: 6841.75, 0.00317916/step Wall: 6841.75, 0.00317916/step, 2.52354 hours remaining, 241.007812 MB of memory in use. ENERGY: 2142400 3913.9686 20456.9474 14505.2977 252.3508 -203588.6315 2798.6909 0.0000 0.0000 52039.5281 -109621.8479 299.0719 -161661.3760 -109256.4902 299.1631 192.1458 223.0166 761742.1913 7.9184 7.9847 PRESSURE: 2142600 -8.09814 189.589 241.818 189.589 286.299 131.679 241.818 131.678 380.398 GPRESSURE: 2142600 92.4917 168.005 172.448 98.845 300.228 200.208 216.788 7.45193 340.123 PRESSAVG: 2142600 -16.037 -56.2239 -54.4363 -56.224 -20.0487 -14.4289 -54.4363 -14.4288 7.21906 GPRESSAVG: 2142600 -15.4253 -55.9191 -58.9746 -56.8706 -19.9615 -14.4005 -53.4735 -13.8958 6.62489 TIMING: 2142600 CPU: 6842.39, 0.00320253/step Wall: 6842.39, 0.00320253/step, 2.54192 hours remaining, 241.007812 MB of memory in use. ENERGY: 2142600 3958.3514 20333.1985 14503.1003 263.8321 -203543.8698 2665.1522 0.0000 0.0000 52019.8959 -109800.3394 298.9591 -161820.2353 -109435.9779 298.8046 219.5330 244.2811 760398.4423 -9.6222 -9.5873 PRESSURE: 2142800 32.4754 -229.883 -95.8609 -229.883 -4.82519 -223.623 -95.8604 -223.624 -334.539 GPRESSURE: 2142800 74.3521 -211.157 -119.623 -196.597 -58.2038 -227.101 15.0812 -93.9833 -231.232 PRESSAVG: 2142800 84.1028 -15.7746 -37.897 -15.7746 -64.2637 -36.0452 -37.897 -36.0452 9.145 GPRESSAVG: 2142800 83.7614 -17.6985 -34.2073 -15.5307 -63.5274 -34.8905 -38.1799 -36.6012 9.03839 TIMING: 2142800 CPU: 6843.03, 0.00318766/step Wall: 6843.03, 0.00318766/step, 2.52994 hours remaining, 241.007812 MB of memory in use. ENERGY: 2142800 3961.3864 20276.6048 14471.5955 234.8207 -203626.9929 2793.3340 0.0000 0.0000 52091.7090 -109797.5425 299.3718 -161889.2515 -109437.0609 298.4038 -102.2962 -71.6947 762478.8877 9.6614 9.7575 PRESSURE: 2143000 31.8614 -328.648 36.3306 -328.648 -181.918 210.819 36.3302 210.818 -350.636 GPRESSURE: 2143000 100.91 -246.216 19.3748 -332.002 -139.41 241.682 5.15073 224.306 -390.228 PRESSAVG: 2143000 17.7881 -63.1391 -88.0392 -63.1392 -7.56035 -74.7638 -88.0392 -74.7638 10.4211 GPRESSAVG: 2143000 17.5418 -61.1382 -91.0854 -62.8662 -8.10929 -73.4827 -88.1113 -74.9447 11.0081 TIMING: 2143000 CPU: 6843.66, 0.00317623/step Wall: 6843.66, 0.00317623/step, 2.52069 hours remaining, 241.007812 MB of memory in use. ENERGY: 2143000 3943.1164 20377.4903 14403.6313 253.6471 -203614.7382 2535.4579 0.0000 0.0000 52306.8968 -109794.4984 300.6085 -162101.3952 -109426.3840 298.0450 -166.8975 -142.9095 761671.5354 6.8829 6.8135 PRESSURE: 2143200 -107.405 25.0357 -8.92416 25.0358 17.1377 180.349 -8.92375 180.35 -90.0652 GPRESSURE: 2143200 27.9777 65.2526 -91.8518 41.5243 3.38998 128.416 20.0966 263.606 -99.9548 PRESSAVG: 2143200 -54.7441 -38.2609 -17.7554 -38.2609 63.8435 -5.83215 -17.7553 -5.83229 20.0464 GPRESSAVG: 2143200 -53.6749 -37.2823 -16.022 -40.2562 63.0534 -7.71345 -17.9116 -4.28195 18.9888 TIMING: 2143200 CPU: 6844.3, 0.0031985/step Wall: 6844.3, 0.0031985/step, 2.53819 hours remaining, 241.007812 MB of memory in use. ENERGY: 2143200 4066.5841 20419.9642 14424.6571 259.7180 -203669.8497 2833.0020 0.0000 0.0000 51986.1657 -109679.7586 298.7652 -161665.9243 -109318.5168 298.1479 -60.1107 -22.8623 762238.8026 9.7153 9.4558 PRESSURE: 2143400 170.9 38.2413 -30.9115 38.2408 -290.698 74.1189 -30.9113 74.1185 -89.688 GPRESSURE: 2143400 108.718 33.0499 -37.8347 36.8795 -200.61 69.174 94.1158 53.951 -39.759 PRESSAVG: 2143400 22.4789 -29.9541 -44.5448 -29.9541 -43.9133 3.64437 -44.5449 3.64441 -12.3864 GPRESSAVG: 2143400 22.1776 -32.35 -45.5836 -29.3092 -45.3554 2.52312 -44.2686 5.50784 -10.4094 TIMING: 2143400 CPU: 6844.95, 0.00320506/step Wall: 6844.95, 0.00320506/step, 2.54321 hours remaining, 241.007812 MB of memory in use. ENERGY: 2143400 4029.8778 20452.9535 14463.5172 266.2948 -203566.5649 2886.9821 0.0000 0.0000 51797.1993 -109669.7402 297.6792 -161466.9395 -109313.2745 298.6161 -69.8286 -43.8839 761408.2367 -11.2736 -11.1958 PRESSURE: 2143600 154.938 -141.389 -80.5426 -141.389 20.0306 40.6097 -80.543 40.6091 249.979 GPRESSURE: 2143600 134.395 -122.827 -59.7385 -160.666 175.762 105.688 -85.5431 1.17064 205.22 PRESSAVG: 2143600 47.0857 -73.0842 15.3223 -73.0842 -63.5672 9.37873 15.3223 9.37876 12.9278 GPRESSAVG: 2143600 46.7969 -70.2875 16.7855 -72.3335 -60.7919 9.98432 17.3638 7.48001 10.392 TIMING: 2143600 CPU: 6845.58, 0.00316336/step Wall: 6845.58, 0.00316336/step, 2.50995 hours remaining, 241.007812 MB of memory in use. ENERGY: 2143600 3925.0995 20386.3625 14427.4633 260.4576 -203473.4467 2780.5984 0.0000 0.0000 52081.9454 -109611.5200 299.3157 -161693.4655 -109240.6273 298.1791 141.6493 171.7924 761729.9168 -1.1846 -1.2010 PRESSURE: 2143800 -197.825 36.0852 224.958 36.0845 -72.5153 89.4949 224.957 89.4939 -49.1627 GPRESSURE: 2143800 -141.454 109.368 204.631 42.7081 -97.0761 105.323 96.5996 49.7109 -17.9849 PRESSAVG: 2143800 31.344 -59.9101 -16.0212 -59.91 34.8386 27.9571 -16.0212 27.9572 5.92887 GPRESSAVG: 2143800 29.5807 -60.257 -17.1428 -60.6594 35.3165 29.4485 -18.6824 26.6298 6.79237 TIMING: 2143800 CPU: 6846.21, 0.00315534/step Wall: 6846.21, 0.00315534/step, 2.50341 hours remaining, 241.007812 MB of memory in use. ENERGY: 2143800 3942.6834 20393.3413 14403.5618 261.0866 -203078.3269 2438.8049 0.0000 0.0000 51747.3425 -109891.5063 297.3927 -161638.8489 -109531.9835 298.5313 -106.5011 -85.5049 763011.1093 24.0371 23.8965 PRESSURE: 2144000 -293.891 -137.088 19.6409 -137.087 226.003 139.448 19.641 139.449 -38.1378 GPRESSURE: 2144000 -186.718 -150.694 54.3763 -66.0799 188.067 89.5165 -34.3135 94.7075 -22.2681 PRESSAVG: 2144000 7.70473 -36.4959 33.352 -36.4959 -21.8968 21.0658 33.352 21.0659 -1.88779 GPRESSAVG: 2144000 8.21417 -39.2277 33.3731 -34.0501 -23.1638 19.6813 33.2436 22.7839 -0.63983 TIMING: 2144000 CPU: 6846.85, 0.00319027/step Wall: 6846.85, 0.00319027/step, 2.53094 hours remaining, 241.007812 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: 2144000 3947.7927 20440.4435 14443.8173 275.3610 -203474.2891 2841.7641 0.0000 0.0000 51888.5129 -109636.5975 298.2040 -161525.1104 -109275.4850 297.9082 -35.3418 -6.9730 762000.8783 -5.3600 -5.1965 PRESSURE: 2144200 286.235 -93.9388 193.267 -93.9382 -87.5105 5.90221 193.267 5.9019 536.789 GPRESSURE: 2144200 224.111 -27.9647 140.442 -87.0496 15.9528 16.9132 174.016 -4.60833 576.097 PRESSAVG: 2144200 12.8305 -34.7124 10.3033 -34.7123 22.5283 13.1055 10.3033 13.1055 31.2431 GPRESSAVG: 2144200 12.4458 -33.322 10.2345 -38.2416 24.339 14.6464 10.7414 12.9997 29.8613 TIMING: 2144200 CPU: 6847.48, 0.00318437/step Wall: 6847.48, 0.00318437/step, 2.52609 hours remaining, 241.007812 MB of memory in use. ENERGY: 2144200 3963.3158 20405.7677 14481.8274 244.8942 -203320.3546 2985.5034 0.0000 0.0000 51523.7091 -109715.3370 296.1075 -161239.0461 -109363.8378 298.3421 245.1712 272.0535 762204.2941 22.2006 22.2153 LDB: ============= START OF LOAD BALANCING ============== 6859.94 LDB: ============== END OF LOAD BALANCING =============== 6859.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6859.94 LDB: ============= START OF LOAD BALANCING ============== 6860.25 LDB: Largest compute 7072 load 0.036698 is 18.8% of average load 0.195305 LDB: Average compute 0.004393 is 2.2% of average load 0.195305 LDB: TIME 6860.26 LOAD: AVG 0.195305 MAX 0.214546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 6860.26 LOAD: AVG 0.195305 MAX 0.214546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: TIME 6860.26 LOAD: AVG 0.195305 MAX 0.214546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: ============== END OF LOAD BALANCING =============== 6860.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6860.26 PRESSURE: 2144400 -511.906 12.3038 -73.7756 12.3038 231.815 -68.9736 -73.776 -68.9736 -107.831 GPRESSURE: 2144400 -409.204 14.0959 -114.472 22.0892 235.541 -76.5103 -14.4144 -169.248 -122.669 PRESSAVG: 2144400 3.7438 -73.3322 13.1184 -73.3322 -8.44436 27.5243 13.1183 27.5243 10.0057 GPRESSAVG: 2144400 4.16201 -72.8845 13.4064 -73.9932 -10.2295 25.8513 14.6117 28.7189 11.3255 TIMING: 2144400 CPU: 6848.13, 0.00322266/step Wall: 6848.13, 0.00322266/step, 2.55629 hours remaining, 240.093750 MB of memory in use. ENERGY: 2144400 3945.0935 20385.6189 14421.7247 262.8256 -203207.4851 2394.0624 0.0000 0.0000 52148.1829 -109649.9771 299.6963 -161798.1600 -109292.4801 298.2706 -129.3073 -98.7772 762767.2649 1.7684 1.7527 PRESSURE: 2144600 104.227 85.379 58.3208 85.3786 -99.7249 36.5715 58.3206 36.5709 -97.4546 GPRESSURE: 2144600 224.265 -97.8611 107.772 39.7765 -148.967 43.6763 -120.235 16.5215 -90.8657 PRESSAVG: 2144600 49.3588 -41.8001 -13.254 -41.8002 -53.0963 5.82767 -13.254 5.82773 1.32458 GPRESSAVG: 2144600 49.9775 -42.4166 -12.0898 -41.2407 -52.789 6.8271 -15.2379 5.1137 0.469895 TIMING: 2144600 CPU: 6848.76, 0.00317559/step Wall: 6848.76, 0.00317559/step, 2.51877 hours remaining, 240.296875 MB of memory in use. ENERGY: 2144600 3892.1586 20357.0163 14371.8320 244.5134 -203395.3611 2742.3175 0.0000 0.0000 51995.9929 -109791.5305 298.8217 -161787.5234 -109423.7317 298.0494 -30.9842 -5.1893 764353.8896 -0.8043 -0.7805 PRESSURE: 2144800 -13.2175 49.9913 -111.525 49.9919 227.993 -22.8912 -111.525 -22.8903 124.952 GPRESSURE: 2144800 18.5434 71.7216 -206.065 40.4273 241.003 38.5819 -21.6339 13.5606 161.966 PRESSAVG: 2144800 31.0507 -38.8686 8.62737 -38.8686 -5.08754 -19.2684 8.62735 -19.2685 -25.6076 GPRESSAVG: 2144800 31.0274 -37.3652 7.50146 -39.7173 -5.61354 -19.8467 9.11934 -19.7046 -24.6792 TIMING: 2144800 CPU: 6849.4, 0.00318041/step Wall: 6849.4, 0.00318041/step, 2.52242 hours remaining, 240.296875 MB of memory in use. ENERGY: 2144800 4013.1963 20419.7650 14455.7871 232.5224 -203533.1443 2917.1051 0.0000 0.0000 51948.3863 -109546.3822 298.5481 -161494.7685 -109186.3041 298.4707 113.2423 140.5043 764344.2500 0.1185 0.2449 PRESSURE: 2145000 -334.713 -123.625 -18.714 -123.625 -252.752 206.512 -18.7141 206.512 -37.0831 GPRESSURE: 2145000 -346.551 -51.3861 -28.1488 -80.6099 -140.1 119.285 44.8899 230.981 -74.4207 PRESSAVG: 2145000 15.0738 -45.0771 21.0683 -45.077 -0.458495 -33.5619 21.0684 -33.5619 -0.927639 GPRESSAVG: 2145000 14.1296 -47.9558 21.7779 -44.4367 0.618537 -31.8571 21.019 -33.0568 -1.1113 TIMING: 2145000 CPU: 6850.04, 0.0031882/step Wall: 6850.04, 0.0031882/step, 2.52842 hours remaining, 240.296875 MB of memory in use. ENERGY: 2145000 3953.2339 20450.4685 14457.8929 227.9249 -203045.5008 2380.5708 0.0000 0.0000 51992.5168 -109582.8931 298.8017 -161575.4099 -109215.2435 299.0672 -208.1827 -187.0238 764121.2694 4.5625 4.5456 PRESSURE: 2145200 -41.4676 -64.6037 -165.958 -64.6036 -111.443 -180.152 -165.959 -180.152 -296.134 GPRESSURE: 2145200 -69.3942 6.24583 -117.141 -40.6732 -66.3187 -240.945 -143.572 -202.468 -224.823 PRESSAVG: 2145200 47.0708 -26.0052 -32.2976 -26.0053 9.05034 -47.3674 -32.2975 -47.3675 -19.5819 GPRESSAVG: 2145200 47.3208 -22.5837 -31.6852 -25.9513 9.28344 -48.1927 -32.4077 -49.2204 -19.4522 TIMING: 2145200 CPU: 6850.67, 0.00316018/step Wall: 6850.67, 0.00316018/step, 2.50602 hours remaining, 240.296875 MB of memory in use. ENERGY: 2145200 4041.9630 20323.4501 14443.5600 272.6054 -203361.0081 2720.7654 0.0000 0.0000 51952.3922 -109606.2720 298.5711 -161558.6642 -109243.4812 298.6367 -149.6814 -120.1788 764361.9223 12.1798 12.3840 PRESSURE: 2145400 28.0722 -190.129 53.0977 -190.129 235.12 49.183 53.0977 49.1809 -442.576 GPRESSURE: 2145400 110.882 -171.776 -1.46977 -173.198 198.195 16.0571 16.2868 -27.3695 -404.087 PRESSAVG: 2145400 8.13601 -40.249 -32.454 -40.2491 -11.3614 -41.9095 -32.4541 -41.9096 15.244 GPRESSAVG: 2145400 7.90003 -40.4822 -34.5214 -40.1657 -10.5475 -41.4453 -32.2307 -41.3368 14.9946 TIMING: 2145400 CPU: 6851.3, 0.00313944/step Wall: 6851.3, 0.00313944/step, 2.4894 hours remaining, 240.296875 MB of memory in use. ENERGY: 2145400 3993.3277 20410.6701 14442.3804 280.5401 -203357.6466 2686.4940 0.0000 0.0000 51906.6353 -109637.5989 298.3081 -161544.2343 -109274.2601 299.0312 -59.7948 -31.6698 762884.4496 4.0062 4.1157 PRESSURE: 2145600 158.224 -75.6152 -31.9361 -75.6147 -10.4959 133.409 -31.9356 133.408 98.8894 GPRESSURE: 2145600 195.551 21.5933 51.6661 -35.6499 55.1601 32.0555 113.49 175.728 71.805 PRESSAVG: 2145600 -12.9166 -16.5092 -9.43637 -16.5092 12.4619 12.8614 -9.43638 12.8614 -4.91937 GPRESSAVG: 2145600 -12.2229 -17.4942 -10.1305 -16.9908 10.9017 12.4105 -7.80695 13.7208 -4.0043 TIMING: 2145600 CPU: 6851.93, 0.00315589/step Wall: 6851.93, 0.00315589/step, 2.50227 hours remaining, 240.296875 MB of memory in use. ENERGY: 2145600 3979.4332 20499.8043 14482.6590 279.6290 -203324.9567 2719.5996 0.0000 0.0000 51813.1201 -109550.7113 297.7707 -161363.8315 -109183.2769 299.0825 82.2059 107.5052 762922.4556 -1.7914 -1.7751 PRESSURE: 2145800 -161.401 -133.736 54.0133 -133.737 -213.132 -113.593 54.0139 -113.593 -89.6279 GPRESSURE: 2145800 -147.133 -226.537 52.4573 -162.288 -129.451 -83.5816 -122.929 -131.378 -74.1801 PRESSAVG: 2145800 -40.1784 -59.7376 5.0568 -59.7375 16.484 -35.4224 5.05681 -35.4224 4.82231 GPRESSAVG: 2145800 -40.9113 -60.0389 8.3005 -60.1165 18.274 -37.5533 5.89234 -33.5907 3.69273 TIMING: 2145800 CPU: 6852.56, 0.00315772/step Wall: 6852.56, 0.00315772/step, 2.50355 hours remaining, 240.296875 MB of memory in use. ENERGY: 2145800 3965.2200 20377.7221 14481.8393 232.3189 -203366.0240 2570.8951 0.0000 0.0000 52121.5643 -109616.4643 299.5433 -161738.0286 -109261.6371 298.8226 -154.7203 -116.9215 760622.0656 -6.2907 -6.3149 PRESSURE: 2146000 330.337 -162.398 212.258 -162.398 386.945 81.5067 212.258 81.5081 441.898 GPRESSURE: 2146000 378.005 -139.856 126.824 -168.779 399.217 55.9317 191.438 -41.037 459.209 PRESSAVG: 2146000 6.11712 -4.65348 -8.15601 -4.6535 5.11329 -56.9395 -8.15609 -56.9395 0.983914 GPRESSAVG: 2146000 5.73505 -6.11035 -9.65226 -2.83529 4.35149 -54.8718 -9.62927 -59.7037 2.16589 TIMING: 2146000 CPU: 6853.19, 0.00314062/step Wall: 6853.19, 0.00314062/step, 2.48981 hours remaining, 240.296875 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: 2146000 3991.2482 20528.9325 14455.0244 244.2454 -203873.8420 3003.7887 0.0000 0.0000 52096.5969 -109554.0059 299.3999 -161650.6028 -109200.6151 299.0753 386.3930 412.1438 760983.6796 4.0714 4.0841 PRESSURE: 2146200 -190.408 -16.9955 -41.9637 -16.996 -180.088 -348.848 -41.9632 -348.848 106.336 GPRESSURE: 2146200 9.90279 -101.949 4.0056 -89.5112 -261.366 -352.379 -41.6809 -321.009 71.419 PRESSAVG: 2146200 35.5154 -82.4762 -14.431 -82.4762 -49.8669 -68.9011 -14.431 -68.9011 -18.9839 GPRESSAVG: 2146200 36.534 -81.5417 -13.9282 -83.5056 -50.7432 -69.0266 -16.112 -68.7228 -19.2235 TIMING: 2146200 CPU: 6853.82, 0.00317448/step Wall: 6853.82, 0.00317448/step, 2.51648 hours remaining, 240.296875 MB of memory in use. ENERGY: 2146200 4067.1108 20405.0320 14442.6569 233.6485 -203006.8334 2461.0116 0.0000 0.0000 51903.1403 -109494.2333 298.2881 -161397.3736 -109135.1706 298.6505 -88.0532 -60.0146 763226.1618 -11.1118 -11.1442 PRESSURE: 2146400 -239.522 -71.5046 223.972 -71.5048 113.995 -143.682 223.971 -143.682 12.4256 GPRESSURE: 2146400 -120.914 -51.3225 85.7017 -148.365 -12.3188 -70.908 230.269 -58.9824 97.9034 PRESSAVG: 2146400 1.97455 -71.2951 -4.92893 -71.2951 24.9888 -3.54097 -4.92891 -3.54099 15.5113 GPRESSAVG: 2146400 2.13023 -72.2031 -5.43712 -70.501 25.6713 -3.51808 -4.8662 -3.07621 14.2397 TIMING: 2146400 CPU: 6854.46, 0.00317024/step Wall: 6854.46, 0.00317024/step, 2.51295 hours remaining, 240.296875 MB of memory in use. ENERGY: 2146400 3972.7569 20484.7160 14368.6356 262.6166 -203017.1196 2417.8825 0.0000 0.0000 51997.9842 -109512.5277 298.8331 -161510.5118 -109161.5508 298.8546 -37.7005 -11.7763 761599.7947 14.1582 14.0137 PRESSURE: 2146600 21.9196 -10.0135 -121.768 -10.0139 140.413 -101.327 -121.769 -101.326 121.412 GPRESSURE: 2146600 147.374 -24.0426 -145.762 -12.8371 64.516 -30.44 -92.843 -21.7458 150.459 PRESSAVG: 2146600 -29.7951 -79.2296 -7.45021 -79.2296 36.3745 38.7356 -7.45022 38.7356 -1.21385 GPRESSAVG: 2146600 -29.6533 -79.8081 -7.31774 -77.187 35.0385 38.6279 -6.43321 38.9863 -0.108668 TIMING: 2146600 CPU: 6855.09, 0.00315214/step Wall: 6855.09, 0.00315214/step, 2.49842 hours remaining, 240.296875 MB of memory in use. ENERGY: 2146600 3904.1648 20618.2682 14474.1098 248.9864 -203015.3872 2477.8380 0.0000 0.0000 51964.6556 -109327.3645 298.6416 -161292.0200 -108975.7564 299.1558 94.5815 120.7832 762384.5592 1.7885 1.7588 PRESSURE: 2146800 -51.7015 5.14771 76.7038 5.14794 -78.1783 118.255 76.7035 118.254 -282.971 GPRESSURE: 2146800 -62.7321 79.948 44.2515 -38.7482 -9.44187 81.7024 -9.22347 82.5537 -244.194 PRESSAVG: 2146800 -44.6093 -70.0386 29.4649 -70.0386 27.0691 49.8322 29.4649 49.8322 -3.39123 GPRESSAVG: 2146800 -46.2067 -68.0801 28.9146 -73.0756 28.332 49.4986 29.3968 50.5003 -2.94891 TIMING: 2146800 CPU: 6855.72, 0.00316165/step Wall: 6855.72, 0.00316165/step, 2.50578 hours remaining, 240.296875 MB of memory in use. ENERGY: 2146800 3948.4163 20377.4307 14466.9762 245.2976 -202553.6647 2404.3941 0.0000 0.0000 51912.7561 -109198.3937 298.3433 -161111.1498 -108832.0979 299.2837 -137.6169 -105.4560 762303.6632 -6.9771 -6.9412 PRESSURE: 2147000 -327.157 30.7913 200.947 30.7921 140.723 29.4392 200.947 29.4397 461.688 GPRESSURE: 2147000 -214.8 89.4106 170.795 9.2944 175.184 -8.40515 155.487 -6.82876 425.816 PRESSAVG: 2147000 -45.0374 -50.0786 18.8582 -50.0785 35.7132 -7.52201 18.8583 -7.52204 3.23807 GPRESSAVG: 2147000 -44.4476 -51.6452 20.1945 -47.9955 35.6602 -5.22685 16.5606 -6.95614 2.54251 TIMING: 2147000 CPU: 6856.35, 0.00316911/step Wall: 6856.35, 0.00316911/step, 2.51152 hours remaining, 240.296875 MB of memory in use. ENERGY: 2147000 4025.0171 20338.9756 14447.4034 241.6021 -202789.6388 2509.8683 0.0000 0.0000 52094.7737 -109131.9985 299.3894 -161226.7722 -108776.6383 299.4235 91.7514 128.7337 762439.9649 -2.0287 -2.0816 PRESSURE: 2147200 -114.574 -91.246 97.8011 -91.2468 -234.214 -297.394 97.8006 -297.393 213.892 GPRESSURE: 2147200 -37.234 -101.395 114.312 -149.836 -246.566 -267.331 272.503 -230.595 224.956 PRESSAVG: 2147200 22.5825 -25.1001 0.359286 -25.1001 -5.72715 -32.2554 0.35924 -32.2554 12.9165 GPRESSAVG: 2147200 21.7512 -24.0615 -0.0852499 -25.8828 -5.52459 -34.4733 2.00907 -33.021 13.1597 TIMING: 2147200 CPU: 6856.99, 0.0031597/step Wall: 6856.99, 0.0031597/step, 2.50389 hours remaining, 240.296875 MB of memory in use. ENERGY: 2147200 3895.0956 20443.8166 14394.1472 252.6461 -203114.9842 2654.1392 0.0000 0.0000 52426.2641 -109048.8753 301.2945 -161475.1395 -108683.7069 300.0107 -44.9653 -19.6146 762543.7469 9.9239 9.7954 PRESSURE: 2147400 -341.897 -62.6237 -155.222 -62.6248 -174.657 -36.801 -155.223 -36.8019 -200.135 GPRESSURE: 2147400 -434.933 -88.6443 -192.434 -10.9532 -60.935 -127.998 -217.941 -23.8929 -143.154 PRESSAVG: 2147400 7.61636 -20.8393 -9.15183 -20.8393 21.7731 11.6114 -9.15182 11.6114 2.71572 GPRESSAVG: 2147400 7.61273 -19.2028 -9.44001 -21.6192 21.734 12.0468 -9.81424 12.3294 2.68692 TIMING: 2147400 CPU: 6857.62, 0.00316167/step Wall: 6857.62, 0.00316167/step, 2.50527 hours remaining, 240.296875 MB of memory in use. ENERGY: 2147400 3976.7642 20512.2147 14404.9182 246.6383 -202398.2973 2379.3169 0.0000 0.0000 51956.8251 -108921.6199 298.5966 -160878.4450 -108567.2798 299.9410 -238.8964 -213.0073 764396.3460 10.7017 10.6779 PRESSURE: 2147600 86.2437 63.8529 105.15 63.8522 331.776 40.5272 105.15 40.5268 -97.5585 GPRESSURE: 2147600 180.787 12.1651 95.9462 54.7006 337.878 83.6879 96.2303 82.16 -116.846 PRESSAVG: 2147600 7.45842 -18.14 -7.38095 -18.1399 9.69408 -43.8807 -7.38091 -43.8808 -10.9139 GPRESSAVG: 2147600 6.85413 -18.3503 -7.30692 -18.6002 9.79346 -44.5988 -5.91414 -44.368 -10.3945 TIMING: 2147600 CPU: 6858.26, 0.00318769/step Wall: 6858.26, 0.00318769/step, 2.52571 hours remaining, 240.296875 MB of memory in use. ENERGY: 2147600 3947.4184 20428.9137 14497.4347 247.4529 -203152.9336 2571.6341 0.0000 0.0000 52446.3931 -109013.6868 301.4101 -161460.0799 -108638.5661 300.4352 106.8204 133.9396 762682.0495 2.0795 2.0844 PRESSURE: 2147800 3.92731 -166.371 -4.22783 -166.371 -154.102 -238.178 -4.22741 -238.178 -161.834 GPRESSURE: 2147800 74.2025 -118.038 70.7584 -93.0145 -208.038 -233.625 132.516 -233.874 -83.137 PRESSAVG: 2147800 -25.5228 -63.8639 -14.5504 -63.8639 11.8674 -38.1849 -14.5504 -38.1848 7.17377 GPRESSAVG: 2147800 -22.9141 -64.8084 -14.9688 -62.9739 10.6912 -37.6804 -15.3896 -37.3461 6.23992 TIMING: 2147800 CPU: 6858.9, 0.00321711/step Wall: 6858.9, 0.00321711/step, 2.54884 hours remaining, 240.296875 MB of memory in use. ENERGY: 2147800 3943.3744 20602.7476 14410.7414 247.8401 -202648.6602 2231.8983 0.0000 0.0000 52150.4588 -109061.5996 299.7094 -161212.0584 -108698.6706 299.7703 -104.0029 -72.3243 764123.0816 -2.1606 -1.9943 PRESSURE: 2148000 3.04779 -59.0853 -127.463 -59.0861 -106.914 197.63 -127.463 197.63 22.6102 GPRESSURE: 2148000 34.6776 -117.21 -191.587 38.7041 -108.118 255.404 -102.456 52.9648 91.8923 PRESSAVG: 2148000 16.4985 -75.9448 -33.8661 -75.9448 -54.8426 2.78135 -33.8661 2.78137 -11.2024 GPRESSAVG: 2148000 14.2895 -75.2803 -33.7152 -78.1342 -54.4039 0.763589 -33.1097 3.336 -9.87475 TIMING: 2148000 CPU: 6859.54, 0.00318676/step Wall: 6859.54, 0.00318676/step, 2.52462 hours remaining, 240.296875 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: 2148000 3980.8216 20422.6501 14518.4492 264.1604 -203266.9814 2865.3382 0.0000 0.0000 52173.3034 -109042.2584 299.8407 -161215.5618 -108688.5699 299.5684 -27.0853 6.1507 763615.8783 -16.5155 -16.6631 PRESSURE: 2148200 -166.754 -222.662 115.984 -222.662 -285.626 -70.4368 115.983 -70.4378 -271.328 GPRESSURE: 2148200 -117.28 -288.479 141.1 -231.09 -275.887 -85.5017 52.8177 -10.6371 -235.222 PRESSAVG: 2148200 40.0087 -4.11005 -27.9936 -4.11009 -32.6 18.5528 -27.9935 18.5528 -2.88508 GPRESSAVG: 2148200 41.5864 -5.99685 -28.7474 -2.72612 -33.8509 19.6064 -29.6595 17.7706 -3.52392 TIMING: 2148200 CPU: 6860.17, 0.00317957/step Wall: 6860.17, 0.00317957/step, 2.51875 hours remaining, 240.296875 MB of memory in use. ENERGY: 2148200 3980.8186 20636.4772 14431.0385 241.0123 -202805.3677 2312.3090 0.0000 0.0000 51890.9724 -109312.7397 298.2181 -161203.7121 -108956.1485 299.3539 -241.2361 -209.4633 762626.3864 1.5079 1.4039 LDB: ============= START OF LOAD BALANCING ============== 6872.63 LDB: ============== END OF LOAD BALANCING =============== 6872.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6872.63 LDB: ============= START OF LOAD BALANCING ============== 6872.95 LDB: Largest compute 7073 load 0.036764 is 18.8% of average load 0.195287 LDB: Average compute 0.004396 is 2.3% of average load 0.195287 LDB: TIME 6872.95 LOAD: AVG 0.195287 MAX 0.213614 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.957 MB LDB: TIME 6872.95 LOAD: AVG 0.195287 MAX 0.213614 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.996 MB LDB: TIME 6872.95 LOAD: AVG 0.195287 MAX 0.213614 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.996 MB LDB: ============== END OF LOAD BALANCING =============== 6872.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6872.96 PRESSURE: 2148400 10.143 -14.1038 11.2905 -14.1035 -321.061 -79.6395 11.2907 -79.639 199.925 GPRESSURE: 2148400 59.3228 34.6804 59.9694 67.7094 -225.151 -98.5563 24.3972 20.6228 122.804 PRESSAVG: 2148400 8.9872 -33.2074 15.7188 -33.2074 -43.439 -27.1715 15.7188 -27.1715 13.8205 GPRESSAVG: 2148400 6.67323 -32.8684 15.9304 -32.2034 -41.8637 -24.8905 17.4746 -29.0888 14.8187 TIMING: 2148400 CPU: 6860.82, 0.00324568/step Wall: 6860.82, 0.00324567/step, 2.57094 hours remaining, 239.527344 MB of memory in use. ENERGY: 2148400 3945.2384 20421.9310 14500.3008 255.2275 -203432.9260 2696.9081 0.0000 0.0000 52198.3207 -109414.9996 299.9845 -161613.3202 -109054.2903 299.1252 -36.9975 -14.3414 762072.4491 -6.8771 -6.7906 PRESSURE: 2148600 42.6994 -45.4561 -36.3936 -45.4564 -257.087 -157.671 -36.3936 -157.67 -324.036 GPRESSURE: 2148600 125.146 -34.7804 9.05425 -9.30182 -193.046 -162.854 6.14584 -137.745 -383.452 PRESSAVG: 2148600 85.4641 -42.5832 25.8766 -42.5832 -71.0879 -23.491 25.8767 -23.491 31.0995 GPRESSAVG: 2148600 87.2941 -40.5292 27.1793 -44.34 -70.9526 -24.8254 23.4296 -22.1286 29.5058 TIMING: 2148600 CPU: 6861.45, 0.00316512/step Wall: 6861.45, 0.00316512/step, 2.50695 hours remaining, 239.730469 MB of memory in use. ENERGY: 2148600 4002.7431 20488.9708 14513.5296 260.0326 -203256.1347 2664.4374 0.0000 0.0000 52078.4029 -109248.0184 299.2953 -161326.4213 -108891.5180 298.8762 -179.4745 -150.4508 761708.3723 15.1585 15.2824 PRESSURE: 2148800 -63.5241 119.403 -76.1507 119.402 30.8588 67.9197 -76.1497 67.9206 78.3361 GPRESSURE: 2148800 -18.6607 52.1076 17.6427 109.872 40.4619 147.351 -24.0776 62.6709 115.616 PRESSAVG: 2148800 61.8438 -26.5102 12.8438 -26.5101 35.4162 22.9052 12.8438 22.9052 -2.8367 GPRESSAVG: 2148800 61.4274 -25.9298 13.1743 -25.3449 34.3676 22.2567 12.4654 23.1636 -1.23036 TIMING: 2148800 CPU: 6862.08, 0.00313804/step Wall: 6862.08, 0.00313804/step, 2.48533 hours remaining, 239.730469 MB of memory in use. ENERGY: 2148800 3991.5302 20514.1305 14485.5674 250.6591 -203630.1843 2969.4303 0.0000 0.0000 51958.4002 -109460.4666 298.6056 -161418.8669 -109096.1810 299.0103 15.2236 45.8057 761253.4676 31.4744 31.5215 PRESSURE: 2149000 183.271 37.7565 28.5794 37.756 -261.772 -103.076 28.5798 -103.076 -9.34129 GPRESSURE: 2149000 84.4358 12.7142 31.2262 -38.3307 -138.29 -134.495 -72.0229 -83.6003 48.4768 PRESSAVG: 2149000 -26.7207 -43.3717 20.6963 -43.3717 34.0167 -1.62348 20.6964 -1.62342 14.9646 GPRESSAVG: 2149000 -26.5662 -44.6306 19.6814 -43.6674 34.0678 -2.566 21.3843 -1.33428 14.8414 TIMING: 2149000 CPU: 6862.72, 0.00318798/step Wall: 6862.72, 0.00318797/step, 2.5247 hours remaining, 239.730469 MB of memory in use. ENERGY: 2149000 4016.0944 20435.3255 14491.4979 254.6304 -203621.0391 2650.1960 0.0000 0.0000 51986.5403 -109786.7546 298.7674 -161773.2950 -109431.3200 298.4885 -29.2807 -1.7924 760551.5519 7.4202 7.4477 PRESSURE: 2149200 259.932 152.193 -175.324 152.193 12.5836 68.5797 -175.324 68.5804 -260.382 GPRESSURE: 2149200 193.013 222.103 -267.159 72.8705 88.7355 -24.8815 -73.1628 159.858 -194.657 PRESSAVG: 2149200 -27.6281 -15.7275 -16.0259 -15.7275 43.3407 -12.9565 -16.026 -12.9565 -16.1102 GPRESSAVG: 2149200 -29.2569 -14.397 -14.6306 -17.0521 44.8276 -14.0625 -15.4341 -12.0339 -15.6768 TIMING: 2149200 CPU: 6863.36, 0.00320647/step Wall: 6863.36, 0.00320647/step, 2.53917 hours remaining, 239.730469 MB of memory in use. ENERGY: 2149200 4087.1620 20596.8051 14468.5662 228.5561 -203854.8455 2732.5197 0.0000 0.0000 51949.0608 -109792.1756 298.5520 -161741.2364 -109444.8160 298.4463 4.0443 29.0303 759822.0850 -0.1325 -0.0354 PRESSURE: 2149400 113.593 -173.941 97.8299 -173.941 121.891 -109.653 97.8296 -109.654 419.392 GPRESSURE: 2149400 113.634 -88.385 106.501 -227.647 183.959 -44.9265 19.1034 -37.3509 426.642 PRESSAVG: 2149400 47.4397 -14.0196 46.2574 -14.0197 -19.5059 8.96507 46.2574 8.96505 -14.2501 GPRESSAVG: 2149400 47.0394 -14.7522 45.9334 -13.3685 -18.2477 11.3121 47.1349 6.77316 -14.968 TIMING: 2149400 CPU: 6864, 0.00319109/step Wall: 6864, 0.00319109/step, 2.52681 hours remaining, 239.730469 MB of memory in use. ENERGY: 2149400 4005.2635 20490.6871 14494.7234 251.4041 -203699.9043 2771.3383 0.0000 0.0000 51727.2974 -109959.1904 297.2775 -161686.4878 -109597.7077 298.3924 218.2921 241.4121 759804.1588 4.5612 4.6079 PRESSURE: 2149600 -438.084 -122.986 -47.6326 -122.987 -523.653 13.1516 -47.6325 13.1509 199.794 GPRESSURE: 2149600 -292.321 -78.3239 21.1175 -154.702 -565.738 91.3116 -65.0092 103.772 165.61 PRESSAVG: 2149600 19.8625 -29.364 -15.5494 -29.364 -60.248 -26.8525 -15.5494 -26.8525 -12.8287 GPRESSAVG: 2149600 21.2409 -28.0917 -14.4627 -28.8677 -62.0058 -28.3521 -17.4569 -25.6013 -12.6197 TIMING: 2149600 CPU: 6864.64, 0.00318177/step Wall: 6864.64, 0.00318177/step, 2.51926 hours remaining, 239.730469 MB of memory in use. ENERGY: 2149600 4026.7724 20499.1158 14471.5078 249.3201 -203553.8224 2445.7019 0.0000 0.0000 52129.4504 -109731.9541 299.5887 -161861.4045 -109370.1502 298.3656 -253.9812 -230.8164 760971.3360 -17.7381 -17.7949 PRESSURE: 2149800 -23.1526 -11.3678 -12.9493 -11.3668 73.551 148.467 -12.9486 148.467 -32.1393 GPRESSURE: 2149800 -19.9021 -71.7341 15.6578 -28.6095 22.5734 63.0178 6.06636 21.5452 99.8194 PRESSAVG: 2149800 40.9172 -16.4095 5.32492 -16.4095 -28.9442 -13.2552 5.32495 -13.2551 15.0484 GPRESSAVG: 2149800 40.8801 -20.0666 4.72427 -13.9558 -28.3871 -12.3333 5.14313 -15.1717 14.7389 TIMING: 2149800 CPU: 6865.27, 0.00319497/step Wall: 6865.27, 0.00319497/step, 2.52953 hours remaining, 239.730469 MB of memory in use. ENERGY: 2149800 4007.0252 20740.8024 14545.2748 245.3275 -203749.9133 2583.1382 0.0000 0.0000 51799.4526 -109828.8927 297.6922 -161628.3452 -109467.8559 298.0266 6.0863 34.1636 759861.4710 9.0071 9.0773 PRESSURE: 2150000 -162.589 -66.7975 145.966 -66.7972 -3.55045 -24.6979 145.965 -24.6978 -218.338 GPRESSURE: 2150000 -129.43 -174.533 200.56 -91.5684 8.82674 -32.3887 -13.8157 193.961 -182.045 PRESSAVG: 2150000 8.72665 20.9287 -76.8337 20.9287 -44.6445 23.9184 -76.8336 23.9184 -28.7563 GPRESSAVG: 2150000 7.87965 22.5334 -77.9424 20.1004 -43.2118 25.3667 -75.7278 24.5424 -29.0351 TIMING: 2150000 CPU: 6865.91, 0.0031964/step Wall: 6865.91, 0.0031964/step, 2.53048 hours remaining, 239.730469 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: 2150000 4083.9568 20376.3456 14576.3224 245.7323 -203180.8230 2319.8163 0.0000 0.0000 51985.6223 -109593.0273 298.7621 -161578.6496 -109237.3030 298.0832 -128.1591 -100.8828 759672.9544 -21.5581 -21.4558 PRESSURE: 2150200 -164.05 -76.8452 -21.9121 -76.8451 -95.757 -188.039 -21.9119 -188.039 -465.254 GPRESSURE: 2150200 -104.902 -145.704 201.747 21.9182 -102.158 -175.68 -117.039 -126.926 -437.548 PRESSAVG: 2150200 38.7543 13.2046 -18.8475 13.2046 23.6442 8.3826 -18.8476 8.38269 3.37176 GPRESSAVG: 2150200 39.8069 14.1351 -17.3391 11.7362 21.8365 7.68534 -21.5078 10.2244 4.06115 TIMING: 2150200 CPU: 6866.55, 0.00317394/step Wall: 6866.55, 0.00317394/step, 2.51253 hours remaining, 239.730469 MB of memory in use. ENERGY: 2150200 3966.4943 20354.0801 14424.8926 261.5847 -203089.5576 2612.0591 0.0000 0.0000 51960.0535 -109510.3934 298.6151 -161470.4469 -109150.3805 298.9528 -241.6872 -214.8693 761699.0121 21.9234 21.9015 PRESSURE: 2150400 -239.479 33.4093 183.404 33.4088 -198.141 -7.4136 183.403 -7.41329 129.277 GPRESSURE: 2150400 -206.55 -71.4005 153.475 50.7347 -128.792 34.1477 270.468 -86.3109 92.3213 PRESSAVG: 2150400 14.9749 -69.127 -33.5763 -69.1269 -44.6078 -4.73503 -33.5763 -4.73503 19.9257 GPRESSAVG: 2150400 15.7355 -69.5427 -34.1314 -68.5074 -45.0608 -5.20804 -33.1877 -6.35949 19.7056 TIMING: 2150400 CPU: 6867.18, 0.00315888/step Wall: 6867.18, 0.00315888/step, 2.50043 hours remaining, 239.730469 MB of memory in use. ENERGY: 2150400 3949.2210 20581.2248 14461.2965 255.2383 -203193.1565 2399.6738 0.0000 0.0000 52139.1114 -109407.3907 299.6442 -161546.5021 -109045.2818 299.1899 -102.7811 -81.0068 760121.9145 -3.2357 -3.2065 PRESSURE: 2150600 -388.603 -270.677 -1.33081 -270.677 -178.074 -268.135 -1.33076 -268.136 -216.311 GPRESSURE: 2150600 -369.112 -254.428 29.9549 -177.79 -122.081 -188.267 -97.7368 -251.146 -185.57 PRESSAVG: 2150600 53.0535 -50.6182 16.9983 -50.6183 -55.9503 -11.3702 16.9984 -11.3702 1.64256 GPRESSAVG: 2150600 52.9075 -48.5029 16.2766 -50.8898 -55.394 -10.3368 17.0432 -11.2669 1.09525 TIMING: 2150600 CPU: 6867.82, 0.0031759/step Wall: 6867.82, 0.0031759/step, 2.51373 hours remaining, 239.730469 MB of memory in use. ENERGY: 2150600 4052.5907 20475.3419 14465.2307 251.4049 -203027.3602 2260.9098 0.0000 0.0000 52121.8146 -109400.0676 299.5448 -161521.8822 -109048.7380 299.3447 -260.9960 -225.5877 761231.4472 -0.4181 -0.4638 PRESSURE: 2150800 -459.484 -34.1403 -260.735 -34.1402 -277.142 279.785 -260.735 279.785 -525.89 GPRESSURE: 2150800 -446.258 -63.2765 -314.884 -36.5673 -275.505 171.757 -210.094 194.386 -469.648 PRESSAVG: 2150800 -4.47549 -55.6005 -19.35 -55.6005 -12.6853 -25.3072 -19.35 -25.3072 -32.2258 GPRESSAVG: 2150800 -4.43141 -56.6498 -18.4965 -54.8782 -12.0097 -24.6515 -18.4041 -26.1364 -32.3961 TIMING: 2150800 CPU: 6868.45, 0.00319511/step Wall: 6868.45, 0.00319511/step, 2.52875 hours remaining, 239.730469 MB of memory in use. ENERGY: 2150800 4143.7802 20576.7497 14471.2703 266.3009 -203559.1839 2602.2879 0.0000 0.0000 52131.1205 -109367.6744 299.5983 -161498.7949 -109011.7838 299.6006 -420.8386 -397.1368 761385.4218 -16.4622 -16.2790 PRESSURE: 2151000 -21.7215 26.34 -179.126 26.3401 66.2338 159.944 -179.127 159.944 -270.783 GPRESSURE: 2151000 87.2594 -70.1295 -140.826 42.836 50.5777 179.864 -145.9 144.737 -261.834 PRESSAVG: 2151000 -39.8965 -40.6854 28.079 -40.6854 23.3632 -30.1529 28.079 -30.153 -21.2629 GPRESSAVG: 2151000 -40.476 -40.1991 26.3661 -41.4165 22.6374 -31.6435 29.8312 -30.0094 -20.1096 TIMING: 2151000 CPU: 6869.09, 0.00318935/step Wall: 6869.09, 0.00318935/step, 2.52402 hours remaining, 239.730469 MB of memory in use. ENERGY: 2151000 3987.1334 20537.0361 14484.0647 255.8176 -203503.2499 2839.4553 0.0000 0.0000 51850.4584 -109549.2844 297.9853 -161399.7429 -109181.2631 298.3981 -75.4235 -41.3323 762034.7446 -12.5987 -12.6494 PRESSURE: 2151200 13.0941 -159.304 38.0947 -159.304 -334.294 -50.2694 38.0945 -50.2682 -123.51 GPRESSURE: 2151200 38.4252 -137.386 192.474 -61.0887 -257.967 -13.5135 -160.882 86.2318 -151.351 PRESSAVG: 2151200 -14.1648 16.7451 45.4414 16.7451 28.0042 62.7732 45.4414 62.7731 5.32822 GPRESSAVG: 2151200 -14.2069 16.732 47.953 16.5255 28.0803 63.8267 42.1694 61.1417 5.15209 TIMING: 2151200 CPU: 6869.73, 0.00319304/step Wall: 6869.73, 0.00319304/step, 2.52676 hours remaining, 239.730469 MB of memory in use. ENERGY: 2151200 3973.5237 20604.4167 14503.0958 257.9313 -203599.9616 2718.4229 0.0000 0.0000 52117.9453 -109424.6261 299.5225 -161542.5714 -109060.0580 298.7907 -148.2366 -123.6311 761634.0499 6.3892 6.3418 PRESSURE: 2151400 22.0088 -84.6641 113.646 -84.6631 -59.213 -204.609 113.645 -204.609 -70.6362 GPRESSURE: 2151400 -13.7954 -138.734 150.734 -110.239 8.50259 -140.819 207.907 -62.8405 -45.3826 PRESSAVG: 2151400 -42.2977 -30.2698 -11.1321 -30.2698 56.3842 6.9166 -11.1321 6.91664 -23.0066 GPRESSAVG: 2151400 -42.3929 -30.9897 -12.2666 -28.8559 56.8891 5.67889 -10.9156 8.68541 -23.1248 TIMING: 2151400 CPU: 6870.37, 0.00317193/step Wall: 6870.37, 0.00317193/step, 2.50988 hours remaining, 239.730469 MB of memory in use. ENERGY: 2151400 3971.5147 20572.5546 14465.2627 244.1032 -203141.4101 2554.0071 0.0000 0.0000 51996.6899 -109337.2779 298.8257 -161333.9678 -108969.1359 299.3343 -35.9468 -16.8918 763795.9020 -2.9734 -2.8762 PRESSURE: 2151600 13.6601 -23.8792 77.3108 -23.8786 -64.5286 14.8302 77.31 14.8307 -158.123 GPRESSURE: 2151600 129.226 -71.4074 25.7854 -93.561 -17.4225 -10.6862 137.248 -13.3598 -240.014 PRESSAVG: 2151600 -10.1148 -74.2834 47.5978 -74.2834 37.053 -4.06102 47.5978 -4.06107 4.39604 GPRESSAVG: 2151600 -9.53687 -74.6334 46.6652 -76.6274 36.5304 -4.57606 50.8627 -3.95426 3.7693 TIMING: 2151600 CPU: 6871, 0.00317157/step Wall: 6871, 0.00317157/step, 2.50942 hours remaining, 239.730469 MB of memory in use. ENERGY: 2151600 4030.1770 20425.2078 14497.5176 262.5537 -203132.8337 2436.2348 0.0000 0.0000 52204.7865 -109276.3564 300.0216 -161481.1429 -108923.2309 299.1445 -69.6638 -42.7368 761782.1342 10.4448 10.2543 PRESSURE: 2151800 -278.204 -16.3423 8.37599 -16.3422 118.923 -39.2187 8.37601 -39.2187 -59.1473 GPRESSURE: 2151800 -266.157 -43.5569 101.796 16.5416 130.992 86.4907 16.0233 -126.169 -5.09202 PRESSAVG: 2151800 19.9346 -4.75337 -46.4936 -4.75335 16.5058 -60.2903 -46.4935 -60.2903 2.19865 GPRESSAVG: 2151800 17.2768 -5.03376 -45.4377 -2.75209 17.5592 -58.328 -47.8513 -60.9864 3.92967 TIMING: 2151800 CPU: 6871.63, 0.00317025/step Wall: 6871.63, 0.00317025/step, 2.50819 hours remaining, 239.730469 MB of memory in use. ENERGY: 2151800 4048.8276 20406.1991 14525.9908 246.8829 -203223.4736 2594.4442 0.0000 0.0000 51944.6331 -109456.4959 298.5265 -161401.1290 -109110.4611 299.4075 -72.8095 -46.7525 760862.9356 12.8797 12.9219 PRESSURE: 2152000 -112.927 -323.383 150.558 -323.382 -161.301 -147.18 150.558 -147.179 235.747 GPRESSURE: 2152000 -95.8903 -252.189 68.4729 -305.296 -96.7737 -89.6733 108.26 -158.865 262.486 PRESSAVG: 2152000 -6.16661 -33.891 2.35478 -33.8909 21.5821 -7.33778 2.35476 -7.33787 6.14056 GPRESSAVG: 2152000 -4.89083 -32.7867 1.41481 -33.6523 20.5812 -9.08357 0.362105 -6.4196 5.73474 TIMING: 2152000 CPU: 6872.27, 0.00319526/step Wall: 6872.27, 0.00319526/step, 2.52781 hours remaining, 239.730469 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: 2152000 4020.3713 20416.7796 14539.2543 254.9217 -203440.2826 2554.4382 0.0000 0.0000 52070.0860 -109584.4315 299.2475 -161654.5175 -109227.0730 299.1639 -12.8271 23.2741 761227.1915 7.1854 7.1417 PRESSURE: 2152200 96.9315 -182.157 206.855 -182.156 437.485 -170.853 206.855 -170.853 48.6413 GPRESSURE: 2152200 113.627 -90.739 191.913 -109.63 464.537 -152.679 160.368 -160.834 113.86 PRESSAVG: 2152200 -72.1972 -11.2826 57.352 -11.2826 71.1203 7.75176 57.352 7.75177 10.2063 GPRESSAVG: 2152200 -73.1687 -11.1904 58.21 -12.7455 71.9832 8.44808 58.3728 6.69689 10.3247 TIMING: 2152200 CPU: 6872.91, 0.0031785/step Wall: 6872.91, 0.0031785/step, 2.51437 hours remaining, 239.730469 MB of memory in use. ENERGY: 2152200 3960.4438 20431.8717 14466.9365 236.9929 -203437.7494 2578.1780 0.0000 0.0000 51953.5042 -109809.8224 298.5775 -161763.3266 -109449.7854 299.0592 194.3527 230.6748 758953.3993 3.0431 3.0464 LDB: ============= START OF LOAD BALANCING ============== 6885.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6885.36 LDB: =============== DONE WITH MIGRATION ================ 6885.37 LDB: ============= START OF LOAD BALANCING ============== 6885.69 LDB: Largest compute 7071 load 0.036797 is 18.8% of average load 0.195257 LDB: Average compute 0.004392 is 2.2% of average load 0.195257 LDB: TIME 6885.69 LOAD: AVG 0.195257 MAX 0.212651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 6885.69 LOAD: AVG 0.195257 MAX 0.212651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 6885.69 LOAD: AVG 0.195257 MAX 0.212651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 6885.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6885.7 PRESSURE: 2152400 -442.548 178.121 -162.034 178.121 -18.227 120.598 -162.033 120.597 -109.736 GPRESSURE: 2152400 -339.575 165.062 -153.611 86.0799 -45.7697 90.1747 -228.36 129.747 -120.9 PRESSAVG: 2152400 15.7108 -36.9955 26.879 -36.9955 31.3309 -6.64297 26.8791 -6.643 18.6785 GPRESSAVG: 2152400 17.5915 -37.5008 27.1552 -36.5579 30.1649 -7.51234 23.5803 -5.10921 17.8763 TIMING: 2152400 CPU: 6873.56, 0.00326219/step Wall: 6873.56, 0.00326219/step, 2.5804 hours remaining, 240.550781 MB of memory in use. ENERGY: 2152400 4053.4046 20460.7082 14403.6855 254.2670 -203357.4563 2572.4153 0.0000 0.0000 51736.4500 -109876.5256 297.3301 -161612.9756 -109518.2406 298.6865 -190.1701 -168.7482 760844.6516 21.9067 21.8776 PRESSURE: 2152600 162.167 -431.031 -97.8137 -431.031 5.46384 12.5385 -97.8132 12.5391 -113.945 GPRESSURE: 2152600 166.32 -454.692 -125.098 -269.091 57.016 51.4826 -187 14.2898 -80.5453 PRESSAVG: 2152600 31.1183 -75.5513 -50.3664 -75.5513 -3.59626 34.1892 -50.3665 34.1893 9.77698 GPRESSAVG: 2152600 30.2301 -75.5541 -51.8037 -75.6743 -3.41229 32.9681 -46.8541 35.2395 10.4731 TIMING: 2152600 CPU: 6874.2, 0.00318459/step Wall: 6874.2, 0.00318459/step, 2.51884 hours remaining, 240.750000 MB of memory in use. ENERGY: 2152600 4021.2423 20636.4560 14482.8716 237.6710 -203254.9349 2415.8498 0.0000 0.0000 51774.0586 -109686.7856 297.5462 -161460.8441 -109319.3405 298.0233 17.8952 47.5969 761433.0859 12.4330 12.4303 PRESSURE: 2152800 -83.2653 -22.2781 -66.4346 -22.2776 92.1918 -176.384 -66.4348 -176.384 -2.3962 GPRESSURE: 2152800 13.4462 74.183 -51.1673 53.5207 102.433 -134.956 -61.9012 -244.338 -37.8426 PRESSAVG: 2152800 -25.4841 -51.4581 -9.79381 -51.4582 -12.2338 9.55989 -9.79379 9.55985 -19.8334 GPRESSAVG: 2152800 -24.5651 -51.424 -8.69993 -52.1412 -12.922 11.6808 -10.4397 9.43094 -19.8258 TIMING: 2152800 CPU: 6874.84, 0.00320868/step Wall: 6874.84, 0.00320868/step, 2.53771 hours remaining, 240.750000 MB of memory in use. ENERGY: 2152800 3987.9701 20479.9471 14493.3284 237.5743 -203207.6189 2396.1191 0.0000 0.0000 52252.1618 -109360.5181 300.2939 -161612.6800 -108995.5077 299.3729 2.1768 26.0123 761696.0290 -19.1838 -19.1043 PRESSURE: 2153000 -367.997 -202.806 1.74754 -202.806 29.5608 126.676 1.748 126.676 -222.197 GPRESSURE: 2153000 -278.422 -217.849 37.6372 -167.198 0.340308 39.0273 -12.3623 302.226 -192.938 PRESSAVG: 2153000 3.42493 -36.9591 -55.3912 -36.9591 -28.4477 4.71376 -55.3912 4.71375 7.92124 GPRESSAVG: 2153000 2.89453 -37.4381 -54.7824 -36.5959 -27.4384 1.95619 -55.4311 3.48497 8.13407 TIMING: 2153000 CPU: 6875.48, 0.00318779/step Wall: 6875.48, 0.00318779/step, 2.52101 hours remaining, 240.750000 MB of memory in use. ENERGY: 2153000 4011.3103 20551.7149 14444.8057 249.5124 -203313.1262 2478.3934 0.0000 0.0000 51922.6008 -109654.7887 298.3999 -161577.3895 -109297.4227 299.2725 -186.8779 -157.0064 761946.3775 -5.7005 -5.4699 PRESSURE: 2153200 -138.659 42.8089 -283.165 42.8084 -228.984 -73.9171 -283.165 -73.9166 -0.329859 GPRESSURE: 2153200 -94.3903 87.3808 -250.347 69.8675 -214.426 -34.7996 -255.972 -139.639 48.0614 PRESSAVG: 2153200 9.4192 -63.7469 -16.4528 -63.7468 10.8517 9.55303 -16.4528 9.55299 -14.1909 GPRESSAVG: 2153200 9.02192 -64.0839 -16.5988 -64.4314 10.2826 11.458 -16.3638 8.76312 -13.2994 TIMING: 2153200 CPU: 6876.12, 0.00318981/step Wall: 6876.12, 0.00318981/step, 2.52243 hours remaining, 240.750000 MB of memory in use. ENERGY: 2153200 4061.8247 20302.3437 14397.9377 236.3744 -203383.0934 2730.8165 0.0000 0.0000 51935.9087 -109717.8878 298.4764 -161653.7965 -109359.0571 298.7795 -122.6576 -86.9184 760385.1298 2.0267 2.0017 PRESSURE: 2153400 201.815 -2.3435 61.8917 -2.34376 1.19593 -24.7316 61.892 -24.7311 -16.4826 GPRESSURE: 2153400 247.203 36.7426 -18.5292 -75.4542 29.1328 -92.4551 96.3094 85.0801 -12.8005 PRESSAVG: 2153400 -32.1431 4.62578 -18.4741 4.62576 1.668 20.9481 -18.4741 20.9481 -4.52062 GPRESSAVG: 2153400 -30.8335 3.12497 -19.5108 4.50616 1.2948 20.2712 -18.4712 21.3534 -6.2511 TIMING: 2153400 CPU: 6876.75, 0.00316807/step Wall: 6876.75, 0.00316807/step, 2.50506 hours remaining, 240.750000 MB of memory in use. ENERGY: 2153400 3952.0921 20373.9921 14454.2403 251.5073 -203797.8064 3068.1555 0.0000 0.0000 51943.7344 -109754.0847 298.5214 -161697.8192 -109402.8814 298.8199 62.1761 87.8449 761004.6120 -11.6652 -11.9299 PRESSURE: 2153600 -130.447 192.431 -24.871 192.431 152.374 51.4918 -24.8705 51.4922 191.403 GPRESSURE: 2153600 0.36148 155.49 -79.5959 210.539 138.773 115.984 22.4666 -33.3903 147.21 PRESSAVG: 2153600 35.7829 -19.9611 4.50455 -19.9611 -16.4015 -9.31497 4.50455 -9.31497 6.62867 GPRESSAVG: 2153600 35.2216 -18.427 4.56582 -20.4957 -14.9263 -7.28492 3.81228 -10.71 5.49478 TIMING: 2153600 CPU: 6877.38, 0.00317893/step Wall: 6877.38, 0.00317893/step, 2.51347 hours remaining, 240.750000 MB of memory in use. ENERGY: 2153600 3961.5563 20512.1176 14447.4403 249.0081 -203818.7053 2835.0083 0.0000 0.0000 52087.8520 -109725.7227 299.3496 -161813.5747 -109369.7710 298.8143 71.1099 95.4481 760287.9940 8.6700 8.5967 PRESSURE: 2153800 168.79 -136.162 -69.7667 -136.161 -13.6542 120.093 -69.766 120.094 95.6583 GPRESSURE: 2153800 87.9671 -115.562 -100.626 -118.139 78.0805 95.8977 16.4226 92.0791 165.602 PRESSAVG: 2153800 29.9373 -30.0378 -4.83289 -30.0378 5.71249 8.72384 -4.83284 8.72376 -5.35718 GPRESSAVG: 2153800 28.6223 -28.8215 -3.30158 -29.8563 4.6752 7.59564 -4.51839 9.75617 -3.72462 TIMING: 2153800 CPU: 6878.02, 0.00315348/step Wall: 6878.02, 0.00315348/step, 2.49317 hours remaining, 240.750000 MB of memory in use. ENERGY: 2153800 3994.0220 20577.0638 14513.3351 234.4937 -203775.6366 2806.5902 0.0000 0.0000 51943.0121 -109707.1197 298.5172 -161650.1319 -109350.2747 299.2712 83.5981 110.5499 760015.0847 10.0976 9.8576 PRESSURE: 2154000 344.55 269.051 -194.179 269.051 -98.2386 -82.7301 -194.179 -82.7298 -172.773 GPRESSURE: 2154000 309.118 331.115 -178.559 165.619 23.3081 -91.3736 -157.025 -154.858 -170.229 PRESSAVG: 2154000 41.8978 0.131856 6.40912 0.131867 27.233 31.2285 6.40911 31.2286 18.1132 GPRESSAVG: 2154000 42.014 -1.1635 5.43072 0.862476 27.4554 30.9957 6.91705 31.8122 17.9442 TIMING: 2154000 CPU: 6878.65, 0.00317824/step Wall: 6878.65, 0.00317824/step, 2.51257 hours remaining, 240.750000 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: 2154000 3921.7110 20274.4786 14356.8282 249.3475 -203351.0620 2752.8593 0.0000 0.0000 51894.1735 -109901.6640 298.2365 -161795.8374 -109530.2986 298.7605 24.5127 54.0658 760951.6232 29.0813 29.1378 PRESSURE: 2154200 311.233 -14.8408 -83.0424 -14.8401 391.692 -24.9074 -83.0419 -24.9072 -16.6162 GPRESSURE: 2154200 276.012 65.1432 -157.178 -95.0906 457.824 -136.164 -41.0711 -84.0308 56.1242 PRESSAVG: 2154200 -22.0129 11.9858 51.2387 11.9858 23.6683 -5.55547 51.2387 -5.55548 10.898 GPRESSAVG: 2154200 -21.6016 14.435 51.6279 12.4511 22.4188 -4.35878 52.2256 -5.53001 11.6171 TIMING: 2154200 CPU: 6879.28, 0.00316053/step Wall: 6879.28, 0.00316053/step, 2.4984 hours remaining, 240.750000 MB of memory in use. ENERGY: 2154200 3972.9379 20507.3007 14365.6492 250.4638 -203457.4851 2865.4175 0.0000 0.0000 51850.9107 -109644.8054 297.9879 -161495.7161 -109297.1382 298.0948 228.7696 263.3199 760456.4134 4.1845 4.1448 PRESSURE: 2154400 -20.722 -202.666 99.1693 -202.666 -241.076 -3.12271 99.1697 -3.12343 87.72 GPRESSURE: 2154400 -6.31713 -245.33 97.5644 -56.3396 -140.914 -55.2394 18.7075 30.4351 83.1275 PRESSAVG: 2154400 13.8374 -31.8459 -2.43928 -31.8458 32.4088 -5.76695 -2.43933 -5.76696 3.77163 GPRESSAVG: 2154400 13.7858 -33.0906 -2.88409 -30.885 33.224 -7.67624 -3.87341 -6.0297 2.98637 TIMING: 2154400 CPU: 6879.92, 0.00316843/step Wall: 6879.92, 0.00316843/step, 2.50447 hours remaining, 240.750000 MB of memory in use. ENERGY: 2154400 3933.3380 20459.5808 14418.8335 234.8275 -202932.4795 2448.8294 0.0000 0.0000 51892.2766 -109544.7938 298.2256 -161437.0704 -109193.3877 298.9914 -58.0260 -21.3679 761335.2549 16.6726 16.6654 PRESSURE: 2154600 377.045 -215.225 21.7928 -215.225 310.824 -114.833 21.7931 -114.833 315.843 GPRESSURE: 2154600 384.03 -121.049 49.6225 -238.123 380.328 -79.7804 63.027 -95.5575 315.498 PRESSAVG: 2154600 -0.499658 -37.8122 41.5637 -37.8123 7.83544 25.7 41.5637 25.7 24.4859 GPRESSAVG: 2154600 -0.167023 -39.1702 40.2481 -38.9118 7.00641 26.9127 42.1063 25.0767 24.7754 TIMING: 2154600 CPU: 6880.55, 0.00317566/step Wall: 6880.55, 0.00317566/step, 2.51001 hours remaining, 240.750000 MB of memory in use. ENERGY: 2154600 3955.4717 20572.3671 14491.9258 241.5214 -203542.0900 2877.7246 0.0000 0.0000 51848.7192 -109554.3602 297.9753 -161403.0794 -109195.8684 298.7755 334.5709 359.9519 760972.0916 10.6072 10.5383 PRESSURE: 2154800 113.254 22.0566 22.9849 22.0564 -467.231 196.578 22.9854 196.578 -170.089 GPRESSURE: 2154800 114.812 74.4651 60.0306 74.74 -385.336 242.824 40.7575 163.893 -167.295 PRESSAVG: 2154800 62.7441 -15.641 -7.35573 -15.641 -79.5712 -7.66883 -7.35571 -7.6689 18.363 GPRESSAVG: 2154800 62.682 -16.1921 -5.91162 -15.6927 -78.5802 -7.94852 -8.0079 -6.99953 17.7595 TIMING: 2154800 CPU: 6881.19, 0.00319119/step Wall: 6881.19, 0.00319119/step, 2.5221 hours remaining, 240.750000 MB of memory in use. ENERGY: 2154800 3926.4966 20395.5109 14423.8450 260.5694 -203666.9388 2873.6126 0.0000 0.0000 52225.2205 -109561.6839 300.1391 -161786.9044 -109189.4995 298.5591 -174.6886 -145.9396 762365.4245 0.5119 0.6204 PRESSURE: 2155000 -72.2328 -38.4003 -12.0566 -38.3996 -270.555 21.2699 -12.0564 21.2697 -7.22065 GPRESSURE: 2155000 -108.439 19.658 91.5724 58.3767 -183.338 20.0004 -145.911 -9.94434 25.9917 PRESSAVG: 2155000 -1.37434 -46.746 -13.2381 -46.746 13.803 -48.6875 -13.2382 -48.6875 -19.9963 GPRESSAVG: 2155000 -1.89123 -45.0645 -12.0498 -45.3061 14.3509 -48.6576 -13.1141 -48.094 -20.1748 TIMING: 2155000 CPU: 6881.83, 0.00318184/step Wall: 6881.83, 0.00318184/step, 2.51454 hours remaining, 240.750000 MB of memory in use. ENERGY: 2155000 3920.0258 20375.6819 14477.0509 257.4954 -202732.7642 2367.6221 0.0000 0.0000 51840.0428 -109494.8452 297.9254 -161334.8881 -109132.8217 298.7842 -116.6696 -88.5951 762474.6098 -2.5225 -2.5717 PRESSURE: 2155200 106.045 79.038 76.6698 79.0368 14.0756 -169.872 76.6696 -169.871 362.545 GPRESSURE: 2155200 162.26 74.0862 -21.9254 4.20193 82.9635 -160.496 134.014 -117.592 301.376 PRESSAVG: 2155200 65.4825 -27.0789 3.36283 -27.0789 -41.4277 -23.9753 3.36284 -23.9753 1.91916 GPRESSAVG: 2155200 66.9335 -29.0024 4.17298 -26.607 -42.975 -24.812 1.32767 -24.648 1.97872 TIMING: 2155200 CPU: 6882.46, 0.00318901/step Wall: 6882.46, 0.00318901/step, 2.52003 hours remaining, 240.750000 MB of memory in use. ENERGY: 2155200 3980.6319 20495.9678 14569.2475 231.7567 -203437.0213 2914.7118 0.0000 0.0000 51761.1104 -109483.5951 297.4718 -161244.7055 -109113.2737 298.6585 160.8886 182.2000 762291.1190 8.6580 8.6458 PRESSURE: 2155400 115.253 -101.774 44.2093 -101.773 -322.838 -81.8412 44.209 -81.8415 -199.34 GPRESSURE: 2155400 127.836 -39.9065 95.9811 -115.607 -258.584 -37.8726 23.091 88.163 -192.119 PRESSAVG: 2155400 17.7187 -7.2317 6.98829 -7.2317 13.1186 -1.82029 6.98827 -1.82027 19.935 GPRESSAVG: 2155400 15.9033 -5.39176 4.66317 -8.41568 13.6693 -0.259718 10.0285 -3.13741 20.8662 TIMING: 2155400 CPU: 6883.1, 0.0031898/step Wall: 6883.1, 0.0031898/step, 2.52047 hours remaining, 240.750000 MB of memory in use. ENERGY: 2155400 3949.1187 20540.7424 14547.6776 233.0275 -203038.8634 2419.1502 0.0000 0.0000 51887.8530 -109461.2940 298.2002 -161349.1470 -109105.5527 298.7879 -135.6416 -107.6226 762719.6501 16.9241 16.8129 PRESSURE: 2155600 -80.5235 15.2757 -43.7644 15.2757 37.9301 -329.572 -43.7635 -329.571 -31.3336 GPRESSURE: 2155600 -117.623 14.039 -84.4261 95.1722 92.9125 -313.165 -46.4782 -205.744 29.4157 PRESSAVG: 2155600 26.6787 -29.7762 -35.7262 -29.7762 -51.263 -5.02392 -35.7262 -5.02397 -1.08833 GPRESSAVG: 2155600 26.3439 -28.9549 -34.8256 -28.8531 -50.9754 -5.28124 -36.8823 -4.03583 -0.778184 TIMING: 2155600 CPU: 6883.74, 0.00317157/step Wall: 6883.74, 0.00317157/step, 2.50589 hours remaining, 240.750000 MB of memory in use. ENERGY: 2155600 3962.6243 20496.5078 14530.8983 243.1191 -203677.9413 2781.6780 0.0000 0.0000 52105.8737 -109557.2402 299.4532 -161663.1138 -109193.7261 298.4320 -24.6423 1.5683 760914.3511 -8.5575 -8.4699 PRESSURE: 2155800 60.2958 -0.376742 164.512 -0.376264 -51.1214 -108.921 164.512 -108.922 -220.158 GPRESSURE: 2155800 208.589 -67.4601 101.101 42.9942 -19.8013 -54.2038 292.893 -56.612 -314.902 PRESSAVG: 2155800 52.3816 -27.9134 -6.34964 -27.9134 -46.897 12.4686 -6.34977 12.4686 -32.2062 GPRESSAVG: 2155800 53.9922 -28.3626 -5.98853 -28.321 -48.5006 11.5285 -6.53151 13.3526 -32.3068 TIMING: 2155800 CPU: 6884.37, 0.00316597/step Wall: 6884.37, 0.00316597/step, 2.5013 hours remaining, 240.750000 MB of memory in use. ENERGY: 2155800 3919.9254 20457.5743 14481.8620 218.5269 -202914.8605 2336.1782 0.0000 0.0000 51852.3016 -109648.4920 297.9959 -161500.7936 -109284.8825 297.9341 -70.3278 -42.0381 763009.7576 -8.9072 -8.9384 PRESSURE: 2156000 438.839 120.811 -44.5664 120.811 239.96 -238.35 -44.5667 -238.35 345.354 GPRESSURE: 2156000 459.603 7.83105 -176.872 94.2545 289.755 -261.467 45.0789 -171.114 357.627 PRESSAVG: 2156000 4.65822 36.9035 26.0099 36.9035 -87.2822 15.8029 26.01 15.8029 20.0035 GPRESSAVG: 2156000 3.25492 35.7833 24.7154 36.7887 -86.1534 16.1285 27.3138 14.5813 20.6018 TIMING: 2156000 CPU: 6885.01, 0.00320272/step Wall: 6885.01, 0.00320272/step, 2.53015 hours remaining, 240.750000 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: 2156000 3991.4942 20370.2138 14480.1303 242.2000 -203709.3517 2988.0632 0.0000 0.0000 51840.4104 -109796.8399 297.9276 -161637.2503 -109452.7433 297.8237 341.3842 368.9952 760742.8082 -20.8735 -20.7655 PRESSURE: 2156200 -387.18 210.553 -118.351 210.554 -101.604 -80.9937 -118.35 -80.9939 -469.922 GPRESSURE: 2156200 -317.031 146.668 -157.49 145.592 -103.325 -70.5364 -98.0163 64.7758 -467.484 PRESSAVG: 2156200 25.2498 13.1019 4.77677 13.1019 -52.4714 23.7316 4.77677 23.7317 -14.6786 GPRESSAVG: 2156200 25.758 12.9302 6.05204 12.4806 -51.9689 23.7846 3.33725 24.1742 -16.045 TIMING: 2156200 CPU: 6885.65, 0.00320621/step Wall: 6885.65, 0.00320621/step, 2.53273 hours remaining, 240.750000 MB of memory in use. ENERGY: 2156200 4022.0678 20454.7341 14438.8068 242.4575 -203577.2664 2668.3410 0.0000 0.0000 51785.9791 -109964.8801 297.6147 -161750.8592 -109607.5301 298.0396 -319.5686 -295.9468 761461.4905 -13.9667 -14.0853 LDB: ============= START OF LOAD BALANCING ============== 6898.11 LDB: ============== END OF LOAD BALANCING =============== 6898.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6898.11 LDB: ============= START OF LOAD BALANCING ============== 6898.43 LDB: Largest compute 7071 load 0.037492 is 19.2% of average load 0.195270 LDB: Average compute 0.004360 is 2.2% of average load 0.195270 LDB: TIME 6898.43 LOAD: AVG 0.19527 MAX 0.215795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.094 MB LDB: TIME 6898.43 LOAD: AVG 0.19527 MAX 0.215795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: TIME 6898.43 LOAD: AVG 0.19527 MAX 0.215795 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: ============== END OF LOAD BALANCING =============== 6898.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6898.44 Info: useSync: 0 useProxySync: 0 PRESSURE: 2156400 173.321 -179.553 -22.6984 -179.553 97.3914 -48.6335 -22.699 -48.6336 -121.784 GPRESSURE: 2156400 141.827 -88.3641 -71.334 -180.597 213.198 -103.346 -136.857 85.3019 -130.216 PRESSAVG: 2156400 33.5497 15.2848 -6.06678 15.2848 -50.9674 49.2342 -6.06671 49.2342 -2.83587 GPRESSAVG: 2156400 33.2358 16.4975 -6.88754 16.3457 -52.0027 48.4881 -3.91937 50.2691 -0.886644 TIMING: 2156400 CPU: 6886.3, 0.00325719/step Wall: 6886.3, 0.00325719/step, 2.57282 hours remaining, 240.550781 MB of memory in use. ENERGY: 2156400 3968.3915 20323.1155 14458.7746 261.0709 -203653.7000 2683.3423 0.0000 0.0000 51914.6386 -110044.3667 298.3541 -161959.0053 -109675.7466 297.6927 49.6427 74.9360 761500.2278 -6.7512 -6.5512 PRESSURE: 2156600 -357.327 -150.124 186.232 -150.124 260.848 7.53939 186.232 7.53931 137.303 GPRESSURE: 2156600 -190.852 -186.154 258.095 -218.284 172.09 -59.326 51.8655 49.4564 156.071 PRESSAVG: 2156600 -30.7582 -59.6139 56.088 -59.6139 35.8736 18.8751 56.088 18.8751 -12.3825 GPRESSAVG: 2156600 -28.911 -59.3286 57.5804 -60.6447 35.9633 18.3085 53.5432 17.7975 -13.7967 TIMING: 2156600 CPU: 6886.95, 0.00321829/step Wall: 6886.95, 0.00321829/step, 2.54191 hours remaining, 240.550781 MB of memory in use. ENERGY: 2156600 4025.2929 20290.6134 14442.3656 245.0209 -203367.8762 2586.6732 0.0000 0.0000 51834.4087 -109943.5014 297.8931 -161777.9101 -109588.3373 297.2341 13.6078 45.7697 761987.0182 -2.4224 -2.2481 PRESSURE: 2156800 139.859 -31.5799 -82.3735 -31.5797 281.764 -124.997 -82.3741 -124.999 496.592 GPRESSURE: 2156800 340.633 -118.067 -159.366 -25.4878 252.411 -179.979 -159.079 -126.718 414.042 PRESSAVG: 2156800 -8.86954 -13.222 41.7191 -13.2219 36.3802 17.6366 41.7191 17.6366 27.823 GPRESSAVG: 2156800 -9.13123 -17.5604 40.5413 -9.32953 36.6157 18.2543 43.1193 16.4247 27.4859 TIMING: 2156800 CPU: 6887.59, 0.00321235/step Wall: 6887.59, 0.00321235/step, 2.53704 hours remaining, 240.550781 MB of memory in use. ENERGY: 2156800 3920.3010 20335.2901 14444.9516 243.7490 -203193.6788 2693.7127 0.0000 0.0000 51700.1460 -109855.5283 297.1214 -161555.6744 -109498.8987 297.9856 306.0720 335.6954 759880.9146 18.4445 18.3235 PRESSURE: 2157000 -104.292 -58.3528 -28.059 -58.3521 203.957 51.4936 -28.059 51.4938 -340.112 GPRESSURE: 2157000 -113.318 -63.8822 79.7947 2.19709 185.193 -25.8177 2.76896 -30.8661 -247.551 PRESSAVG: 2157000 44.1233 -26.9764 -6.96439 -26.9764 -12.0114 -44.8743 -6.96435 -44.8742 -14.3444 GPRESSAVG: 2157000 43.5053 -24.191 -7.70275 -30.5726 -11.8085 -44.7591 -6.60697 -44.4601 -13.8118 TIMING: 2157000 CPU: 6888.23, 0.00318879/step Wall: 6888.23, 0.00318879/step, 2.51826 hours remaining, 240.550781 MB of memory in use. ENERGY: 2157000 3927.5446 20460.6496 14456.0959 242.7358 -203087.7586 2246.6544 0.0000 0.0000 51829.6171 -109924.4611 297.8655 -161754.0782 -109567.7191 297.6358 -80.1489 -58.5586 761288.9416 5.9225 5.9617 PRESSURE: 2157200 -136.932 -169.48 -92.8432 -169.48 -203.89 -316.665 -92.8431 -316.666 273.312 GPRESSURE: 2157200 -77.1303 -202.749 -163.61 -184.942 -205.995 -291.116 -2.90328 -274.012 310.589 PRESSAVG: 2157200 21.5578 -20.5475 8.08195 -20.5475 3.96681 -58.9108 8.08201 -58.9108 18.1554 GPRESSAVG: 2157200 21.1953 -21.1798 8.80833 -20.4559 4.57578 -57.5199 8.93431 -59.6687 18.3319 TIMING: 2157200 CPU: 6888.86, 0.00317838/step Wall: 6888.86, 0.00317838/step, 2.50986 hours remaining, 240.550781 MB of memory in use. ENERGY: 2157200 3948.6058 20446.6364 14492.7893 263.8214 -203485.2374 2613.3520 0.0000 0.0000 51854.9885 -109865.0440 298.0113 -161720.0325 -109510.5383 298.1599 -22.5035 9.1544 760012.4892 14.5600 14.7010 PRESSURE: 2157400 231.426 60.3824 -42.55 60.3822 -8.93559 -42.8138 -42.5504 -42.8145 -178.616 GPRESSURE: 2157400 252.329 161.812 -11.269 -23.9228 59.5185 -47.1996 -28.1558 -60.8715 -175.484 PRESSAVG: 2157400 11.0838 3.24722 65.7047 3.2472 -19.4451 21.3074 65.7047 21.3073 3.42747 GPRESSAVG: 2157400 10.9862 6.13933 65.0727 0.871184 -19.9654 20.1606 65.5123 22.823 3.71131 TIMING: 2157400 CPU: 6889.5, 0.00316916/step Wall: 6889.5, 0.00316917/step, 2.50241 hours remaining, 240.550781 MB of memory in use. ENERGY: 2157400 3948.6295 20447.0402 14439.6783 242.6519 -203646.3334 2954.9342 0.0000 0.0000 51859.8345 -109753.5647 298.0392 -161613.3993 -109388.5746 297.7509 14.6247 45.4543 761287.1365 -1.6446 -1.7559 PRESSURE: 2157600 185.183 -91.3252 212.523 -91.3252 -192.8 -30.467 212.523 -30.4672 130.953 GPRESSURE: 2157600 181.775 -196.833 215.108 -107.439 -91.8704 -118.701 142.802 12.072 115.622 PRESSAVG: 2157600 -23.1911 -24.0086 43.6022 -24.0086 12.7631 -2.38321 43.6022 -2.38317 4.25972 GPRESSAVG: 2157600 -23.8177 -27.103 44.6866 -23.3033 13.3963 -0.979281 42.0472 -3.23794 4.86119 TIMING: 2157600 CPU: 6890.14, 0.00322341/step Wall: 6890.14, 0.00322341/step, 2.54506 hours remaining, 240.550781 MB of memory in use. ENERGY: 2157600 4012.8883 20330.9309 14482.6517 253.9746 -203420.9281 2667.5334 0.0000 0.0000 52055.9143 -109617.0350 299.1661 -161672.9492 -109256.4181 298.3126 41.1121 68.5090 759818.4695 -2.0561 -1.8534 PRESSURE: 2157800 -413.485 -80.879 -9.76618 -80.8793 -76.5321 35.2937 -9.76583 35.2931 290.473 GPRESSURE: 2157800 -309.64 -44.1048 -47.6461 65.3922 -68.9225 17.9869 58.6497 172.386 279.059 PRESSAVG: 2157800 24.2783 -25.2574 -0.591404 -25.2574 -29.2653 -11.2549 -0.591475 -11.2548 -12.2208 GPRESSAVG: 2157800 24.5225 -24.1553 -2.35244 -24.0994 -28.2896 -12.3117 0.870564 -10.161 -14.1476 TIMING: 2157800 CPU: 6890.78, 0.00320143/step Wall: 6890.78, 0.00320143/step, 2.52753 hours remaining, 240.550781 MB of memory in use. ENERGY: 2157800 3955.8672 20362.3641 14401.7379 254.6121 -203149.1613 2447.9825 0.0000 0.0000 52045.8007 -109680.7969 299.1079 -161726.5975 -109321.3066 298.1359 -66.5147 -33.1679 760566.4362 -5.7359 -5.9715 PRESSURE: 2158000 76.5912 -3.40557 32.0079 -3.40504 77.9192 2.18095 32.008 2.18108 169.252 GPRESSURE: 2158000 -35.5428 46.1335 -12.1938 104.818 283.13 -88.4056 12.7307 63.9392 155.088 PRESSAVG: 2158000 36.4788 -37.8285 71.9145 -37.8285 -42.8253 24.4894 71.9144 24.4895 9.72036 GPRESSAVG: 2158000 36.3827 -38.7274 73.0385 -36.3511 -42.6719 25.3544 68.6236 23.0831 10.3418 TIMING: 2158000 CPU: 6891.42, 0.00317879/step Wall: 6891.42, 0.00317879/step, 2.50948 hours remaining, 240.550781 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: 2158000 3957.9922 20547.8503 14451.4507 227.7796 -203939.4664 2825.4650 0.0000 0.0000 52327.8234 -109601.1052 300.7287 -161928.9286 -109238.1355 298.4560 107.9208 134.2251 758740.8809 1.1246 1.3509 PRESSURE: 2158200 85.2456 159.888 11.6818 159.887 -214.928 3.39894 11.6829 3.39885 -116.392 GPRESSURE: 2158200 83.2703 102.533 46.6713 135.166 -151.522 -49.763 7.70852 34.0331 -100.029 PRESSAVG: 2158200 1.49988 29.3478 -19.1225 29.3477 8.65783 -24.7922 -19.1225 -24.7922 15.4578 GPRESSAVG: 2158200 1.90909 30.1142 -18.5934 27.533 7.7867 -26.4809 -16.6195 -22.3844 15.3948 TIMING: 2158200 CPU: 6892.05, 0.00317227/step Wall: 6892.05, 0.00317226/step, 2.50415 hours remaining, 240.550781 MB of memory in use. ENERGY: 2158200 3949.5513 20418.0710 14512.4645 233.6375 -203229.0555 2478.5536 0.0000 0.0000 52113.2367 -109523.5409 299.4955 -161636.7776 -109159.4292 299.5102 -82.0246 -56.0935 760935.0356 8.5385 8.3635 PRESSURE: 2158400 320.297 188.929 129.809 188.928 -387.629 190.64 129.809 190.64 24.6015 GPRESSURE: 2158400 398.96 264.712 76.9026 258.103 -327.665 189.957 63.5425 85.5005 -20.7372 PRESSAVG: 2158400 27.9174 -19.8656 5.55881 -19.8655 -1.56449 14.3794 5.55885 14.3794 -2.45976 GPRESSAVG: 2158400 27.7481 -19.0255 4.89877 -18.3947 -0.968354 13.093 4.07558 13.4348 -2.51346 TIMING: 2158400 CPU: 6892.69, 0.0032153/step Wall: 6892.69, 0.0032153/step, 2.53795 hours remaining, 240.550781 MB of memory in use. ENERGY: 2158400 4008.5663 20461.3732 14475.1480 242.6881 -203407.9327 2438.9274 0.0000 0.0000 52197.4724 -109583.7574 299.9796 -161781.2298 -109219.4652 299.1534 -14.2436 16.8529 760737.6495 7.9644 8.0888 PRESSURE: 2158600 450.886 -185.26 95.2366 -185.259 -29.6061 -303.059 95.2362 -303.06 -41.9928 GPRESSURE: 2158600 477.875 -154.797 181.986 -255.309 65.0736 -276.768 144.299 -220.789 -95.2853 PRESSAVG: 2158600 16.9461 -2.13398 -18.5384 -2.13391 -69.1042 17.603 -18.5384 17.6029 1.14406 GPRESSAVG: 2158600 16.3464 -3.12739 -18.9492 -3.67607 -69.8779 19.1304 -16.6681 17.413 1.96 TIMING: 2158600 CPU: 6893.34, 0.00320781/step Wall: 6893.34, 0.00320781/step, 2.53186 hours remaining, 240.550781 MB of memory in use. ENERGY: 2158600 4010.0333 20615.7785 14448.7658 238.0106 -203475.6638 2690.1803 0.0000 0.0000 52041.3850 -109431.5103 299.0826 -161472.8953 -109068.9020 298.9094 126.4292 149.2212 761769.4382 -17.0047 -17.1905 PRESSURE: 2158800 -0.377923 76.2859 80.293 76.286 -42.0248 -105.342 80.2923 -105.341 94.8118 GPRESSURE: 2158800 31.0367 2.95219 27.3638 78.5479 -14.2998 -97.6357 -81.0268 -127.622 126.42 PRESSAVG: 2158800 0.0486385 8.80358 40.0694 8.80359 -15.3561 -19.9224 40.0694 -19.9224 9.1429 GPRESSAVG: 2158800 1.07577 8.04799 39.7542 9.58166 -16.5094 -21.4503 39.9222 -18.6622 8.70181 TIMING: 2158800 CPU: 6893.97, 0.00318429/step Wall: 6893.97, 0.00318429/step, 2.51311 hours remaining, 240.550781 MB of memory in use. ENERGY: 2158800 3940.0167 20482.7291 14558.2726 248.3429 -203139.0499 2513.9726 0.0000 0.0000 51920.4411 -109475.2749 298.3875 -161395.7160 -109109.3101 298.4320 17.4697 47.7189 760655.4820 -2.0549 -2.2439 PRESSURE: 2159000 -328.479 147.635 194.133 147.636 -434.291 -116.108 194.133 -116.11 -298.398 GPRESSURE: 2159000 -323.806 123.33 181.82 156.796 -363.323 -52.0272 145.961 -92.3662 -286.794 PRESSAVG: 2159000 -11.4375 31.867 -22.6979 31.867 -27.698 -26.373 -22.6979 -26.3731 -15.634 GPRESSAVG: 2159000 -12.2728 32.4376 -24.0166 30.611 -26.3847 -22.9459 -24.278 -29.7313 -15.6172 TIMING: 2159000 CPU: 6894.61, 0.00319209/step Wall: 6894.61, 0.00319209/step, 2.51909 hours remaining, 240.550781 MB of memory in use. ENERGY: 2159000 3951.1166 20727.9494 14463.0393 272.0394 -202754.1333 2320.1863 0.0000 0.0000 51779.9879 -109239.8145 297.5803 -161019.8024 -108871.1307 298.7843 -353.7227 -324.6408 761795.1076 -18.2565 -18.0916 PRESSURE: 2159200 -28.7965 -50.0965 -218.543 -50.097 -362.962 -206.582 -218.543 -206.583 -58.1743 GPRESSURE: 2159200 75.6776 -28.1074 -188.473 -20.4977 -470.86 -210.671 -270.323 -242.453 66.8896 PRESSAVG: 2159200 68.2252 -15.0481 -29.6907 -15.0482 -32.1265 4.99857 -29.6908 4.99856 14.6367 GPRESSAVG: 2159200 69.1847 -16.3856 -29.0007 -15.389 -33.1076 2.61835 -29.0994 5.14591 14.8486 TIMING: 2159200 CPU: 6895.25, 0.00320196/step Wall: 6895.25, 0.00320196/step, 2.5267 hours remaining, 240.550781 MB of memory in use. ENERGY: 2159200 4004.4338 20502.4091 14421.7370 246.1929 -202792.7603 2349.5091 0.0000 0.0000 52157.2283 -109111.2501 299.7483 -161268.4784 -108746.1834 299.4736 -149.9777 -109.4310 760937.4503 16.9118 16.9752 PRESSURE: 2159400 -179.029 -134.411 32.5794 -134.41 -415.835 -93.3044 32.5792 -93.3039 2.60221 GPRESSURE: 2159400 -186.879 -257.702 1.93699 -168.088 -294.61 -16.4939 206.572 -212.661 -35.9217 PRESSAVG: 2159400 -17.4798 13.5904 -42.8376 13.5904 -1.2903 -2.11377 -42.8376 -2.11386 -7.67727 GPRESSAVG: 2159400 -17.9772 15.759 -42.3169 14.1971 -1.09744 -1.50617 -41.7982 -0.221795 -7.28837 TIMING: 2159400 CPU: 6895.89, 0.00317901/step Wall: 6895.89, 0.00317901/step, 2.50841 hours remaining, 240.550781 MB of memory in use. ENERGY: 2159400 4160.5337 20560.2653 14473.8531 261.1444 -202770.7844 2357.0969 0.0000 0.0000 51790.8191 -109167.0719 297.6425 -160957.8910 -108811.1301 299.7631 -197.4205 -172.4701 761788.6727 -8.8158 -8.7877 PRESSURE: 2159600 72.0834 -66.2859 -233.957 -66.2859 192.856 -273.535 -233.957 -273.535 -274.725 GPRESSURE: 2159600 133.291 7.65787 -180.333 -5.99357 253.553 -268.757 -267.213 -180.331 -313.88 PRESSAVG: 2159600 -39.9091 -10.0938 25.9154 -10.0938 16.7503 -0.184753 25.9154 -0.184776 -4.11534 GPRESSAVG: 2159600 -37.7642 -10.7339 24.4247 -8.9763 16.6389 0.253967 23.4032 -1.6132 -5.84801 TIMING: 2159600 CPU: 6896.52, 0.00317415/step Wall: 6896.52, 0.00317415/step, 2.50441 hours remaining, 240.550781 MB of memory in use. ENERGY: 2159600 4027.2328 20504.9568 14439.4610 242.9971 -203809.5764 3103.3140 0.0000 0.0000 52229.1722 -109262.4424 300.1618 -161491.6145 -108895.2860 299.1819 -3.2619 24.3214 760383.7154 -9.0914 -8.9911 PRESSURE: 2159800 101.764 69.1604 56.4824 69.1611 127.62 -1.34371 56.4832 -1.34297 -54.0452 GPRESSURE: 2159800 53.0256 164.799 68.0507 -64.0919 178.819 -91.7879 64.2641 -91.2565 15.4728 PRESSAVG: 2159800 21.7933 -0.86039 -2.89667 -0.860398 19.5611 -42.4413 -2.89671 -42.4413 20.6713 GPRESSAVG: 2159800 19.3665 -0.151769 -1.96688 -4.06564 19.836 -44.809 -1.39697 -41.3869 22.5159 TIMING: 2159800 CPU: 6897.16, 0.00318959/step Wall: 6897.16, 0.00318959/step, 2.51641 hours remaining, 240.550781 MB of memory in use. ENERGY: 2159800 4027.9428 20652.1657 14491.1594 264.4589 -203618.0815 2807.2437 0.0000 0.0000 51958.6423 -109416.4687 298.6070 -161375.1109 -109045.1572 299.8223 58.4464 82.4392 760479.1128 20.6752 20.5728 PRESSURE: 2160000 -138.939 -182.796 -5.20129 -182.795 -108.267 99.9315 -5.20084 99.9319 147.779 GPRESSURE: 2160000 -125.155 -120.763 -47.9553 -108.991 26.5692 127.291 -52.8394 -57.0942 65.4368 PRESSAVG: 2160000 -10.8649 -35.729 -36.5138 -35.729 -10.1547 -14.6098 -36.5138 -14.6098 -19.9791 GPRESSAVG: 2160000 -10.9227 -37.407 -37.472 -33.3674 -8.53302 -11.9834 -34.4706 -14.9672 -20.7366 TIMING: 2160000 CPU: 6897.8, 0.0031822/step Wall: 6897.8, 0.0031822/step, 2.5104 hours remaining, 240.550781 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: 2160000 4007.4862 20677.5183 14506.1343 245.5475 -203677.6000 2626.4771 0.0000 0.0000 52079.7086 -109534.7280 299.3028 -161614.4366 -109176.8128 299.1338 -33.1422 -11.0498 759810.0579 -13.6662 -13.3974 PRESSURE: 2160200 -314.988 -168.113 235.498 -168.113 -222.14 122.776 235.498 122.775 13.3897 GPRESSURE: 2160200 -238.609 -85.9401 260.494 -71.7608 -254.195 191.173 223.724 36.7808 40.8244 PRESSAVG: 2160200 -20.8453 -1.82577 22.6871 -1.82576 13.6752 29.2718 22.687 29.2719 6.36621 GPRESSAVG: 2160200 -19.5464 -0.931037 24.5004 -2.40795 12.5163 26.1827 20.1283 29.602 6.20183 TIMING: 2160200 CPU: 6898.44, 0.00320695/step Wall: 6898.44, 0.00320695/step, 2.52975 hours remaining, 240.550781 MB of memory in use. ENERGY: 2160200 3915.1371 20586.9877 14459.5574 232.8020 -203379.9540 2640.4699 0.0000 0.0000 52336.0648 -109208.9351 300.7761 -161544.9999 -108851.6571 299.7893 -174.5793 -150.6598 762277.1767 -0.2680 -0.2761 LDB: ============= START OF LOAD BALANCING ============== 6910.89 LDB: ============== END OF LOAD BALANCING =============== 6910.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6910.89 LDB: ============= START OF LOAD BALANCING ============== 6911.21 LDB: Largest compute 7071 load 0.037301 is 19.1% of average load 0.195212 LDB: Average compute 0.004366 is 2.2% of average load 0.195212 LDB: TIME 6911.22 LOAD: AVG 0.195212 MAX 0.21561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.863 MB LDB: TIME 6911.22 LOAD: AVG 0.195212 MAX 0.21561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: TIME 6911.22 LOAD: AVG 0.195212 MAX 0.21561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: ============== END OF LOAD BALANCING =============== 6911.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6911.23 PRESSURE: 2160400 248.605 -30.1747 -95.0194 -30.1758 322.595 140.752 -95.0188 140.753 -102.947 GPRESSURE: 2160400 275.344 -69.2107 -44.0885 -44.526 353.764 127.12 -57.1529 8.66582 -54.2992 PRESSAVG: 2160400 -28.13 -2.71944 -8.87288 -2.71949 52.4403 29.3912 -8.87287 29.3911 -15.6232 GPRESSAVG: 2160400 -29.2196 -3.61216 -10.3738 -2.04127 52.7353 30.9952 -8.42965 25.673 -14.7524 TIMING: 2160400 CPU: 6899.09, 0.00325682/step Wall: 6899.09, 0.00325682/step, 2.56891 hours remaining, 238.812500 MB of memory in use. ENERGY: 2160400 4005.2362 20544.4839 14403.1024 260.6771 -203668.2460 3077.0101 0.0000 0.0000 52127.1035 -109250.6329 299.5752 -161377.7364 -108896.1004 299.8699 156.0843 191.6029 761428.5717 2.8957 2.9211 PRESSURE: 2160600 -124.12 140.594 -73.9507 140.593 52.5625 -1.88772 -73.9502 -1.88824 257.966 GPRESSURE: 2160600 -20.6252 180.633 -48.6477 63.3317 87.3062 18.5165 -29.3302 19.3189 229.731 PRESSAVG: 2160600 30.547 -36.3585 9.86327 -36.3584 -23.7723 37.0156 9.8633 37.0155 7.0548 GPRESSAVG: 2160600 30.6141 -38.0033 11.2115 -35.9462 -22.6222 37.3141 9.95684 37.4629 6.09016 TIMING: 2160600 CPU: 6899.73, 0.00317989/step Wall: 6899.73, 0.00317989/step, 2.50805 hours remaining, 238.812500 MB of memory in use. ENERGY: 2160600 4025.8819 20545.9449 14462.0674 240.9989 -203545.5921 2657.3649 0.0000 0.0000 52126.9491 -109486.3850 299.5743 -161613.3342 -109123.5859 299.4405 62.1364 98.8040 761416.6376 4.6098 4.6940 PRESSURE: 2160800 -408.257 -71.739 54.9939 -71.739 -187.184 139.187 54.9927 139.187 -266.779 GPRESSURE: 2160800 -370.896 -141.991 -10.1073 -98.3372 -136.346 138.335 60.1884 145.695 -242.693 PRESSAVG: 2160800 30.4289 -41.7913 1.0665 -41.7913 -48.9319 -8.85423 1.06646 -8.85422 -11.2833 GPRESSAVG: 2160800 31.1393 -40.8195 -0.986135 -42.0184 -50.3453 -9.29419 1.52666 -6.21603 -10.7578 TIMING: 2160800 CPU: 6900.36, 0.00317815/step Wall: 6900.36, 0.00317815/step, 2.5065 hours remaining, 238.812500 MB of memory in use. ENERGY: 2160800 3895.2976 20545.4927 14504.5461 240.9297 -203284.8823 2467.1585 0.0000 0.0000 52184.7828 -109446.6749 299.9067 -161631.4577 -109073.6999 299.1788 -287.4065 -249.9784 762770.0965 -9.9288 -9.9879 PRESSURE: 2161000 -279.71 -119.07 -197.293 -119.07 69.0178 -94.3561 -197.292 -94.357 -200.763 GPRESSURE: 2161000 -274.544 -56.3495 -196.663 -64.62 81.1197 -100.452 -269.656 -70.186 -149.269 PRESSAVG: 2161000 -12.4323 -41.8857 1.46675 -41.8856 8.6142 5.07309 1.46664 5.07309 12.7006 GPRESSAVG: 2161000 -11.9964 -42.0581 2.79181 -42.9943 8.7737 5.30933 -0.533654 4.51528 12.9344 TIMING: 2161000 CPU: 6901, 0.00317522/step Wall: 6901, 0.00317522/step, 2.50402 hours remaining, 238.812500 MB of memory in use. ENERGY: 2161000 3908.1206 20655.6102 14418.6136 251.2400 -203194.3113 2533.4227 0.0000 0.0000 52141.1877 -109286.1164 299.6561 -161427.3041 -108922.4295 299.5571 -137.1518 -114.2311 760765.8439 2.9609 3.2372 PRESSURE: 2161200 -295.612 152.852 2.66507 152.852 -147.245 -125.152 2.66484 -125.153 64.2182 GPRESSURE: 2161200 -112.195 256.546 -46.3662 28.9346 -180.286 -183.128 -22.9249 5.26286 0.0426869 PRESSAVG: 2161200 -17.9011 8.84983 -23.9385 8.84978 42.6004 -9.8821 -23.9384 -9.88205 14.1756 GPRESSAVG: 2161200 -16.2755 9.40714 -23.9142 8.62918 41.1471 -8.90634 -22.1466 -10.072 13.8695 TIMING: 2161200 CPU: 6901.63, 0.00317013/step Wall: 6901.63, 0.00317013/step, 2.49982 hours remaining, 238.812500 MB of memory in use. ENERGY: 2161200 3968.0628 20796.2364 14421.7128 234.8487 -203019.5098 2422.6944 0.0000 0.0000 51991.0500 -109184.9047 298.7933 -161175.9548 -108825.5558 299.5031 -126.2129 -97.4795 762073.7370 12.9583 12.9137 PRESSURE: 2161400 -129.912 -12.9229 -137.846 -12.9232 43.6673 -68.8678 -137.845 -68.8683 -340.422 GPRESSURE: 2161400 -119.668 -42.7629 -130.365 -75.555 121.466 -150.847 70.5978 -92.2316 -346.386 PRESSAVG: 2161400 -18.2654 -50.1988 -32.1291 -50.1988 23.0546 -52.1652 -32.1291 -52.1652 -2.72073 GPRESSAVG: 2161400 -20.5528 -48.4383 -32.2588 -50.9186 24.8992 -52.455 -31.8503 -52.8418 -1.56175 TIMING: 2161400 CPU: 6902.27, 0.00322198/step Wall: 6902.27, 0.00322198/step, 2.54053 hours remaining, 238.812500 MB of memory in use. ENERGY: 2161400 4031.5003 20547.0881 14444.2750 257.6449 -203539.9341 2864.5574 0.0000 0.0000 51882.8743 -109511.9942 298.1716 -161394.8684 -109150.0300 299.1176 -142.2224 -114.8626 761237.6897 0.6895 0.9282 PRESSURE: 2161600 -306.067 -56.3421 -27.544 -56.3433 -127.707 -15.6058 -27.5433 -15.6062 -154.859 GPRESSURE: 2161600 -327.298 -45.2696 -60.47 -59.6341 -56.7087 27.3438 -113.039 -151.873 -111.592 PRESSAVG: 2161600 -17.7499 -11.0309 -35.7711 -11.0309 34.095 9.29311 -35.7712 9.2931 -2.42278 GPRESSAVG: 2161600 -17.4166 -11.503 -35.8482 -10.8574 34.6477 8.56341 -39.1762 10.2396 -3.50054 TIMING: 2161600 CPU: 6902.91, 0.00316711/step Wall: 6902.91, 0.00316711/step, 2.49709 hours remaining, 238.812500 MB of memory in use. ENERGY: 2161600 4046.5937 20483.7067 14462.3424 258.6859 -203356.9044 2577.6558 0.0000 0.0000 51931.9551 -109595.9648 298.4537 -161527.9199 -109230.9376 299.3001 -196.2110 -165.1996 761657.4140 4.6408 4.5768 PRESSURE: 2161800 -59.6353 15.5934 -99.0881 15.5928 184.683 75.4802 -99.0882 75.4803 4.12888 GPRESSURE: 2161800 28.9278 101.591 -77.603 39.7489 164.026 -53.2273 5.10956 24.278 38.6647 PRESSAVG: 2161800 31.8992 -45.1784 -7.54159 -45.1784 0.222614 -24.7436 -7.54158 -24.7438 7.31352 GPRESSAVG: 2161800 31.9893 -46.7938 -7.39191 -45.0949 -0.532642 -24.589 -5.44976 -26.2398 7.76386 TIMING: 2161800 CPU: 6903.54, 0.00315066/step Wall: 6903.54, 0.00315066/step, 2.48394 hours remaining, 238.812500 MB of memory in use. ENERGY: 2161800 4058.6644 20466.2911 14429.5682 245.6108 -203867.5334 2947.2372 0.0000 0.0000 51911.7390 -109808.4226 298.3375 -161720.1617 -109439.2039 299.2655 43.0590 77.2063 760388.1205 13.1451 13.0735 PRESSURE: 2162000 -68.2016 53.0912 -66.0442 53.0919 90.6657 35.2385 -66.0444 35.2389 -161.173 GPRESSURE: 2162000 -56.0605 19.8382 -77.6391 -33.4335 145.709 29.5548 160.739 -111.296 -134.278 PRESSAVG: 2162000 -5.93666 -32.9105 7.89334 -32.9105 4.53802 41.1293 7.89334 41.1294 -21.5604 GPRESSAVG: 2162000 -5.39132 -33.0755 8.84971 -31.0403 5.20249 41.2198 9.7103 39.8546 -23.287 TIMING: 2162000 CPU: 6904.17, 0.00317198/step Wall: 6904.17, 0.00317198/step, 2.50057 hours remaining, 238.812500 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: 2162000 3907.9110 20611.3268 14390.1838 262.5320 -203737.6069 2526.3978 0.0000 0.0000 52394.4810 -109644.7745 301.1118 -162039.2555 -109277.4949 298.7653 -46.2363 -14.8765 761799.6052 -7.6530 -7.8253 PRESSURE: 2162200 -77.7781 -42.3655 44.1003 -42.3659 -85.1288 -12.1549 44.1002 -12.1549 -262.93 GPRESSURE: 2162200 -43.4256 54.5564 34.7051 -151.647 -49.9576 -97.2984 51.6859 98.5105 -237.002 PRESSAVG: 2162200 6.51956 -31.1412 -9.49583 -31.1412 -7.8462 0.250408 -9.49587 0.250428 -31.7599 GPRESSAVG: 2162200 6.28801 -30.063 -11.0003 -31.8212 -8.36398 0.454589 -11.146 2.6933 -30.2989 TIMING: 2162200 CPU: 6904.81, 0.00316988/step Wall: 6904.81, 0.00316988/step, 2.49875 hours remaining, 238.812500 MB of memory in use. ENERGY: 2162200 3987.1444 20538.8570 14489.3198 265.5820 -203281.7093 2353.0524 0.0000 0.0000 51959.4724 -109688.2814 298.6118 -161647.7537 -109333.2024 298.9840 -141.9455 -110.1285 761353.0645 -11.0288 -10.7916 PRESSURE: 2162400 62.8375 -350.133 -174.047 -350.132 -64.7274 -9.94287 -174.046 -9.94238 52.1575 GPRESSURE: 2162400 99.9806 -397.267 -244.99 -386.338 -58.9904 -81.8719 -131.108 208.097 93.9044 PRESSAVG: 2162400 36.037 -13.1754 -10.4929 -13.1754 -70.5633 15.8587 -10.493 15.8587 14.655 GPRESSAVG: 2162400 37.2336 -13.9583 -9.63166 -12.7871 -71.0129 13.5557 -8.36523 17.6867 14.3335 TIMING: 2162400 CPU: 6905.45, 0.00320457/step Wall: 6905.45, 0.00320457/step, 2.52592 hours remaining, 238.812500 MB of memory in use. ENERGY: 2162400 4042.8805 20589.5945 14473.2898 238.8040 -203797.1370 2735.9618 0.0000 0.0000 52053.9676 -109662.6388 299.1549 -161716.6064 -109304.8087 298.5767 16.7559 44.9649 760829.2979 -6.6238 -6.4819 PRESSURE: 2162600 124.183 125.176 25.8709 125.176 71.8542 -75.0475 25.8711 -75.047 -20.0868 GPRESSURE: 2162600 159.419 2.0448 15.906 129.431 161.402 -70.8469 -102.547 -84.3525 -79.2397 PRESSAVG: 2162600 20.2442 -53.1815 33.6818 -53.1814 38.6825 -8.84824 33.6819 -8.84818 5.43308 GPRESSAVG: 2162600 19.0435 -53.3114 33.925 -53.315 38.9454 -5.03087 31.2111 -11.4891 6.70206 TIMING: 2162600 CPU: 6906.09, 0.00320206/step Wall: 6906.09, 0.00320206/step, 2.52375 hours remaining, 238.812500 MB of memory in use. ENERGY: 2162600 3942.0462 20432.3016 14506.8697 261.8263 -203923.1888 2978.7056 0.0000 0.0000 52090.4059 -109711.0336 299.3643 -161801.4395 -109345.7633 298.7915 58.6501 80.5272 759985.8199 21.4533 21.5636 PRESSURE: 2162800 87.329 -3.06823 98.1291 -3.06796 24.5782 -211.953 98.1295 -211.953 162.465 GPRESSURE: 2162800 138.109 53.1039 169.155 61.5047 40.6827 -168.724 -51.4019 -183.627 180.472 PRESSAVG: 2162800 -41.2034 -70.0235 22.8692 -70.0235 1.38006 -8.51799 22.8692 -8.51799 -0.221976 GPRESSAVG: 2162800 -40.5687 -71.4408 23.2493 -69.785 1.31818 -9.49472 21.5157 -7.49215 -0.248728 TIMING: 2162800 CPU: 6906.72, 0.0031586/step Wall: 6906.72, 0.0031586/step, 2.48933 hours remaining, 238.812500 MB of memory in use. ENERGY: 2162800 4006.7673 20653.9019 14450.4021 250.7050 -203623.9641 2624.7281 0.0000 0.0000 52005.5124 -109631.9473 298.8764 -161637.4598 -109283.7094 298.9431 91.4574 119.7545 762270.1739 -13.3484 -13.1664 PRESSURE: 2163000 -263.846 -32.1107 -177.52 -32.1108 -309.026 -232.352 -177.52 -232.353 -75.3024 GPRESSURE: 2163000 -164.481 -32.9053 -160.507 50.5951 -236.268 -189.653 -47.9983 -196.334 -151.114 PRESSAVG: 2163000 -19.087 -24.1384 -18.6226 -24.1384 28.0081 -28.4154 -18.6227 -28.4154 17.2635 GPRESSAVG: 2163000 -19.6831 -21.4477 -20.9428 -25.4294 30.1442 -29.2085 -14.7422 -28.3359 15.9965 TIMING: 2163000 CPU: 6907.36, 0.0031772/step Wall: 6907.36, 0.0031772/step, 2.50381 hours remaining, 238.812500 MB of memory in use. ENERGY: 2163000 3883.6049 20400.8991 14458.1357 257.1487 -203233.0273 2464.5810 0.0000 0.0000 52149.7513 -109618.9066 299.7053 -161768.6579 -109255.2569 298.9687 -216.0581 -183.9542 762797.1134 8.7282 8.8192 PRESSURE: 2163200 184.082 -187.274 -21.8164 -187.274 11.4697 -3.10611 -21.816 -3.10602 -151.585 GPRESSURE: 2163200 112.632 -96.1745 -96.3527 -167.176 45.2885 -21.8156 -105.273 189.408 -42.6416 PRESSAVG: 2163200 -9.01895 -6.36473 -6.67909 -6.36478 26.2062 -5.96712 -6.67909 -5.96706 0.985986 GPRESSAVG: 2163200 -8.07448 -7.95327 -4.57306 -6.3259 24.5878 -6.90305 -11.0821 -5.95346 0.809586 TIMING: 2163200 CPU: 6908, 0.00320494/step Wall: 6908, 0.00320494/step, 2.5255 hours remaining, 238.812500 MB of memory in use. ENERGY: 2163200 3987.3901 20597.2810 14491.7862 247.2008 -203669.5973 2632.4037 0.0000 0.0000 52096.4398 -109617.0957 299.3990 -161713.5356 -109263.8799 299.1565 14.6555 38.4262 759604.2789 6.0578 5.7743 PRESSURE: 2163400 211.271 81.9666 -49.9865 81.968 261.25 -37.9558 -49.9857 -37.9565 241.595 GPRESSURE: 2163400 183.938 56.704 -87.0246 38.5591 274.022 -71.7149 15.6041 51.1493 340.275 PRESSAVG: 2163400 3.77002 1.42499 -41.1616 1.42503 6.92876 34.0817 -41.1616 34.0818 1.12542 GPRESSAVG: 2163400 2.60787 2.77016 -42.7786 1.28062 7.37366 34.5519 -39.5317 32.3313 1.95585 TIMING: 2163400 CPU: 6908.63, 0.00318183/step Wall: 6908.63, 0.00318183/step, 2.50711 hours remaining, 238.812500 MB of memory in use. ENERGY: 2163400 4073.5491 20476.3946 14469.7309 260.8914 -203988.8772 2865.4679 0.0000 0.0000 52280.4262 -109562.4170 300.4563 -161842.8432 -109197.5257 299.4013 238.0387 266.0782 759537.5859 3.9414 3.9791 PRESSURE: 2163600 -240.575 -112.201 -325.925 -112.201 -434.813 -85.7267 -325.925 -85.7262 -135.118 GPRESSURE: 2163600 -118.123 -92.7568 -339.671 -158.027 -426.756 17.3148 -170.845 -48.6222 -187.13 PRESSAVG: 2163600 -15.5602 -24.0853 26.1933 -24.0853 -24.114 2.00842 26.1932 2.00839 11.9152 GPRESSAVG: 2163600 -14.311 -23.5406 26.1534 -24.5499 -25.3961 2.22595 26.5319 1.81347 11.9092 TIMING: 2163600 CPU: 6909.28, 0.00322647/step Wall: 6909.28, 0.00322647/step, 2.5421 hours remaining, 238.812500 MB of memory in use. ENERGY: 2163600 4014.6472 20683.8417 14491.9196 234.9708 -202902.6119 2319.8632 0.0000 0.0000 51639.1697 -109518.1997 296.7710 -161157.3694 -109172.1927 298.8920 -270.1685 -244.0030 763892.1065 -9.2530 -9.2660 PRESSURE: 2163800 1.91876 -67.7109 -50.7116 -67.7112 -8.5952 -36.7392 -50.7108 -36.7399 16.7391 GPRESSURE: 2163800 -4.01191 -95.6419 -68.4211 -111.447 47.8532 -32.7756 35.0728 -43.8827 45.1827 PRESSAVG: 2163800 67.1743 -39.3692 -22.3333 -39.3692 -14.6863 -41.8865 -22.3333 -41.8865 0.727797 GPRESSAVG: 2163800 65.641 -40.8991 -20.2032 -38.598 -13.3463 -43.2928 -21.1272 -39.2563 0.146307 TIMING: 2163800 CPU: 6909.92, 0.00321733/step Wall: 6909.92, 0.00321733/step, 2.53472 hours remaining, 238.812500 MB of memory in use. ENERGY: 2163800 4035.6563 20545.5880 14409.1862 257.0247 -203093.7631 2496.7989 0.0000 0.0000 51905.4378 -109444.0711 298.3013 -161349.5090 -109091.9912 299.2432 3.3542 29.6747 761881.1446 17.7386 17.4803 PRESSURE: 2164000 -525.274 78.9636 100.366 78.9631 -96.8685 -159.876 100.366 -159.875 89.9345 GPRESSURE: 2164000 -434.133 68.4967 14.511 135.014 -11.3013 -147.682 139.812 -204.312 -6.18687 PRESSAVG: 2164000 -52.2157 -29.4333 -37.7354 -29.4333 0.270095 57.6598 -37.7353 57.6598 9.42224 GPRESSAVG: 2164000 -51.6454 -28.5223 -38.9628 -30.2941 -0.424584 59.6243 -39.2603 56.6889 9.63682 TIMING: 2164000 CPU: 6910.57, 0.00324123/step Wall: 6910.57, 0.00324123/step, 2.55337 hours remaining, 238.812500 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: 2164000 4033.9432 20382.8463 14446.3375 232.5311 -203487.0652 2627.2111 0.0000 0.0000 52317.8664 -109446.3296 300.6715 -161764.1960 -109068.3856 298.8978 -177.4028 -150.5403 760886.8143 -14.1745 -14.1444 PRESSURE: 2164200 -282.787 -54.5063 78.5191 -54.5053 -122.603 -24.4063 78.5183 -24.4059 198.229 GPRESSURE: 2164200 -172.838 -109.313 16.6893 -126.475 -223.38 -25.837 118.69 72.9898 269.632 PRESSAVG: 2164200 -2.76663 -67.4587 28.8567 -67.4587 21.9378 -14.5533 28.8568 -14.5533 -1.11429 GPRESSAVG: 2164200 -3.42822 -68.8458 30.3565 -66.936 22.6369 -16.8947 29.4193 -14.6979 -0.872751 TIMING: 2164200 CPU: 6911.22, 0.00323625/step Wall: 6911.22, 0.00323625/step, 2.54927 hours remaining, 238.812500 MB of memory in use. ENERGY: 2164200 4039.9281 20540.9734 14444.7532 253.0057 -203184.8241 2544.8669 0.0000 0.0000 52154.7069 -109206.5900 299.7338 -161361.2969 -108854.3595 299.4079 -69.0536 -42.1951 763978.7121 6.0190 6.1120 LDB: ============= START OF LOAD BALANCING ============== 6923.67 LDB: ============== END OF LOAD BALANCING =============== 6923.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6923.68 LDB: ============= START OF LOAD BALANCING ============== 6923.99 LDB: Largest compute 7071 load 0.037568 is 19.2% of average load 0.195157 LDB: Average compute 0.004389 is 2.2% of average load 0.195157 LDB: TIME 6924 LOAD: AVG 0.195157 MAX 0.21481 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 6924 LOAD: AVG 0.195157 MAX 0.21481 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 6924 LOAD: AVG 0.195157 MAX 0.21481 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 6924 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6924.01 PRESSURE: 2164400 -181.514 -47.8832 -152.819 -47.8832 -186.276 -256.086 -152.819 -256.086 4.71399 GPRESSURE: 2164400 -16.462 -41.8994 -139.89 44.5272 -156.01 -265.375 -144.776 -145.963 -94.4452 PRESSAVG: 2164400 -19.6692 -115.396 19.098 -115.396 -3.48594 3.00743 19.0981 3.00746 12.7798 GPRESSAVG: 2164400 -18.0468 -113.473 18.7967 -112.959 -4.72104 3.91896 18.7263 3.55655 12.2363 TIMING: 2164400 CPU: 6911.87, 0.00326701/step Wall: 6911.87, 0.00326701/step, 2.57331 hours remaining, 240.808594 MB of memory in use. ENERGY: 2164400 3970.3023 20525.5387 14471.3260 244.5860 -203220.7894 2533.2814 0.0000 0.0000 52165.6358 -109310.1192 299.7966 -161475.7549 -108945.4831 299.3224 -121.0254 -88.9725 764947.4540 -3.4584 -3.5105 PRESSURE: 2164600 166.103 -88.0526 111.101 -88.0524 -384.752 205.491 111.101 205.49 276.122 GPRESSURE: 2164600 214.694 -135.957 197.076 -113.716 -265.54 188.089 34.8334 96.7438 208.078 PRESSAVG: 2164600 -5.82573 -18.3234 -84.2229 -18.3233 30.4696 3.94808 -84.2229 3.94806 -20.6043 GPRESSAVG: 2164600 -6.50987 -18.7408 -83.9955 -20.2709 32.8174 5.55453 -83.2176 2.07714 -21.6471 TIMING: 2164600 CPU: 6912.51, 0.00322011/step Wall: 6912.51, 0.00322011/step, 2.5362 hours remaining, 241.011719 MB of memory in use. ENERGY: 2164600 4034.1045 20580.1445 14478.7413 250.3080 -203616.5163 2738.1043 0.0000 0.0000 52288.6735 -109246.4403 300.5037 -161535.1137 -108876.6706 299.5363 19.1578 52.4105 762989.0473 1.3465 1.5534 PRESSURE: 2164800 452.185 -98.2516 -113.588 -98.2523 -28.0377 86.7862 -113.588 86.7862 115.403 GPRESSURE: 2164800 431.276 -91.2571 -124.891 -76.4302 15.5525 77.7067 -112.433 -22.0253 149.911 PRESSAVG: 2164800 14.5423 2.34137 13.8923 2.34143 -40.6995 14.6333 13.8923 14.6334 -9.62393 GPRESSAVG: 2164800 14.2498 0.829487 12.3492 1.60891 -41.96 12.7395 13.713 15.8859 -8.24694 TIMING: 2164800 CPU: 6913.15, 0.00318929/step Wall: 6913.15, 0.00318929/step, 2.51174 hours remaining, 241.011719 MB of memory in use. ENERGY: 2164800 3941.8215 20618.6497 14467.1145 246.6353 -203636.2381 2999.2355 0.0000 0.0000 52084.4457 -109278.3358 299.3300 -161362.7815 -108926.4668 299.3716 179.8504 198.9133 761216.1739 -11.9271 -11.9857 PRESSURE: 2165000 107.784 -71.9317 -136.018 -71.9317 -251.333 66.1985 -136.018 66.1999 -186.728 GPRESSURE: 2165000 108.671 -110.342 -100.554 -46.9642 -178.224 75.8137 -17.1965 131.867 -167.223 PRESSAVG: 2165000 -14.2745 7.83785 -72.0387 7.83783 38.0494 40.5374 -72.0387 40.5374 10.1792 GPRESSAVG: 2165000 -15.1318 7.38237 -71.4448 7.48886 39.115 40.6636 -70.9001 40.5765 10.1942 TIMING: 2165000 CPU: 6913.79, 0.00321067/step Wall: 6913.79, 0.00321067/step, 2.5284 hours remaining, 241.011719 MB of memory in use. ENERGY: 2165000 4011.4227 20552.7147 14485.5013 262.4017 -203546.6899 2633.5096 0.0000 0.0000 52151.0606 -109450.0794 299.7129 -161601.1399 -109083.0764 299.5955 -110.0921 -78.9251 760800.5462 11.3180 11.3925 PRESSURE: 2165200 -46.6764 70.5954 -134.83 70.5957 201.684 -160.539 -134.831 -160.539 165.365 GPRESSURE: 2165200 125.839 151.517 -163.788 80.4353 165.596 -180.797 -95.374 -170.966 128.844 PRESSAVG: 2165200 -7.95028 -46.8439 -67.4222 -46.8439 -37.2123 19.5897 -67.4221 19.5898 -10.7608 GPRESSAVG: 2165200 -6.5204 -45.3576 -68.0916 -46.3525 -38.0815 19.8082 -67.1329 17.3386 -11.3767 TIMING: 2165200 CPU: 6914.44, 0.00321568/step Wall: 6914.44, 0.00321568/step, 2.53217 hours remaining, 241.011719 MB of memory in use. ENERGY: 2165200 3975.8662 20518.0744 14475.9189 254.3503 -203523.3367 2718.3578 0.0000 0.0000 52081.8571 -109498.9120 299.3151 -161580.7691 -109133.5834 298.9290 106.7908 140.0932 762013.0838 -18.6411 -18.6595 PRESSURE: 2165400 -614.768 15.0887 -105.065 15.0875 -354.436 43.7818 -105.066 43.783 -594.625 GPRESSURE: 2165400 -596.711 33.6624 -126.019 109.849 -365.372 94.6983 -164.834 85.748 -541.151 PRESSAVG: 2165400 28.7073 -24.299 -7.58047 -24.299 -11.2092 2.42583 -7.58045 2.4259 -15.2201 GPRESSAVG: 2165400 27.5235 -24.3298 -8.12033 -23.4218 -11.1131 3.26601 -9.59742 3.44626 -14.3487 TIMING: 2165400 CPU: 6915.07, 0.00318855/step Wall: 6915.07, 0.00318855/step, 2.51063 hours remaining, 241.011719 MB of memory in use. ENERGY: 2165400 4013.7531 20707.5466 14506.8188 247.3347 -203641.6945 2708.3737 0.0000 0.0000 51984.7064 -109473.1611 298.7568 -161457.8675 -109108.0170 299.1161 -521.2764 -501.0780 762522.3108 0.7594 0.6872 PRESSURE: 2165600 271.612 -37.1891 -88.2153 -37.1887 -195.406 67.4784 -88.2154 67.4791 48.0793 GPRESSURE: 2165600 264.084 -71.3176 -181.957 -66.0291 -143.384 10.7716 -90.6255 57.2244 72.3593 PRESSAVG: 2165600 -42.0591 50.8098 -33.5326 50.8098 64.3005 5.11533 -33.5326 5.11535 -18.3835 GPRESSAVG: 2165600 -41.1113 51.3688 -32.1642 51.0993 63.9417 3.74809 -33.4066 5.82305 -19.339 TIMING: 2165600 CPU: 6915.72, 0.00320593/step Wall: 6915.72, 0.00320593/step, 2.52414 hours remaining, 241.011719 MB of memory in use. ENERGY: 2165600 3890.1921 20588.2956 14511.5953 258.5909 -203533.6138 2673.9383 0.0000 0.0000 52205.5522 -109405.4495 300.0260 -161611.0017 -109039.3129 299.5784 41.4287 64.3533 761362.4558 1.2860 1.1638 PRESSURE: 2165800 -313.206 -42.7958 -134.793 -42.7949 124.049 15.6705 -134.792 15.671 -25.7414 GPRESSURE: 2165800 -279.062 -74.1156 -110.529 -103.78 175.824 53.8663 -129.933 56.5312 -42.5553 PRESSAVG: 2165800 -48.4816 33.4573 10.0202 33.4573 78.8136 31.195 10.0203 31.195 -13.4783 GPRESSAVG: 2165800 -48.4411 31.6852 11.2391 33.5081 79.0228 31.2775 8.34658 32.2391 -13.7882 TIMING: 2165800 CPU: 6916.36, 0.00320639/step Wall: 6916.36, 0.00320639/step, 2.52432 hours remaining, 241.011719 MB of memory in use. ENERGY: 2165800 4042.8099 20498.0124 14434.4805 236.4488 -203530.7876 2739.2735 0.0000 0.0000 52130.3271 -109449.4354 299.5937 -161579.7625 -109093.5874 299.3471 -71.6328 -48.5974 760541.5218 5.6179 5.5978 PRESSURE: 2166000 -434.303 56.2866 -3.62406 56.2866 -330.598 171.501 -3.62386 171.501 -362.46 GPRESSURE: 2166000 -442.046 95.2528 60.1881 -31.6808 -276.826 97.8426 -23.0139 32.0837 -303.379 PRESSAVG: 2166000 2.43309 29.2354 -71.5643 29.2354 -13.9696 -69.5656 -71.5643 -69.5656 5.78964 GPRESSAVG: 2166000 2.01388 30.2675 -72.542 28.1771 -14.9311 -69.7575 -70.7077 -69.9268 7.10117 TIMING: 2166000 CPU: 6917, 0.0032245/step Wall: 6917, 0.0032245/step, 2.5384 hours remaining, 241.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 3992.4497 20526.6334 14412.9085 248.0009 -203208.1960 2419.9195 0.0000 0.0000 52039.9980 -109568.2859 299.0746 -161608.2839 -109193.4966 299.0686 -375.7868 -340.7501 761375.9183 -1.9156 -1.9387 PRESSURE: 2166200 -249.913 -20.1995 -93.9629 -20.1991 -267.853 93.2331 -93.9628 93.2332 -326.06 GPRESSURE: 2166200 -295.902 -68.2514 -242.986 -57.0341 -196.34 83.9235 -132.785 16.7666 -227.589 PRESSAVG: 2166200 -5.34597 20.7165 -17.7839 20.7165 32.8818 22.1902 -17.7839 22.1902 -9.82882 GPRESSAVG: 2166200 -4.5166 20.6937 -18.7271 21.1121 34.0369 21.5104 -16.993 22.1772 -11.7105 TIMING: 2166200 CPU: 6917.64, 0.0032073/step Wall: 6917.64, 0.0032073/step, 2.52468 hours remaining, 241.011719 MB of memory in use. ENERGY: 2166200 4096.2480 20552.1478 14377.8133 247.9900 -203332.8841 2542.1423 0.0000 0.0000 52017.4647 -109499.0781 298.9451 -161516.5428 -109141.5881 298.6872 -281.2751 -239.9439 762690.9690 5.9023 5.9366 PRESSURE: 2166400 280.981 183.535 -192.013 183.535 300.016 44.5411 -192.013 44.5415 411.184 GPRESSURE: 2166400 318.97 134.236 -169.438 198.897 338.387 29.9975 -163.784 -24.2052 418.953 PRESSAVG: 2166400 13.2954 -14.8582 -20.4733 -14.8581 -37.3926 58.9101 -20.4732 58.9101 1.74112 GPRESSAVG: 2166400 12.6364 -16.4678 -19.1652 -12.1257 -36.8882 59.3333 -18.0959 58.9978 2.78407 TIMING: 2166400 CPU: 6918.29, 0.00325097/step Wall: 6918.29, 0.00325097/step, 2.55887 hours remaining, 241.011719 MB of memory in use. ENERGY: 2166400 3948.5650 20371.1717 14447.4042 245.0201 -203559.7519 2833.9571 0.0000 0.0000 52152.1221 -109561.5116 299.7190 -161713.6337 -109195.2926 299.1590 330.7271 358.7701 761234.7325 -7.4520 -7.1559 PRESSURE: 2166600 -232.411 -49.753 -84.7578 -49.7514 -316.512 172.253 -84.7573 172.254 42.0614 GPRESSURE: 2166600 -202.406 -6.28335 3.33615 70.5468 -243.35 127.007 -39.0448 133.718 20.4555 PRESSAVG: 2166600 7.84017 -4.12366 7.88298 -4.12368 -42.4291 -4.11358 7.88298 -4.11358 -5.22434 GPRESSAVG: 2166600 8.69819 -3.90551 6.13818 -4.7458 -43.8706 -2.49083 6.05746 -5.56213 -4.82814 TIMING: 2166600 CPU: 6918.93, 0.00320413/step Wall: 6918.93, 0.00320413/step, 2.52183 hours remaining, 241.011719 MB of memory in use. ENERGY: 2166600 3995.8397 20555.6797 14440.9637 251.3579 -203293.3987 2730.2824 0.0000 0.0000 51877.7143 -109441.5609 298.1419 -161319.2752 -109071.9421 298.7622 -168.9537 -141.7666 763412.3091 -13.2711 -13.3335 PRESSURE: 2166800 -182.526 210.916 331.639 210.916 -418.615 -33.0692 331.639 -33.0701 -171.824 GPRESSURE: 2166800 -98.0678 234.536 294.758 137.406 -422.154 0.200313 171.028 20.7983 -153.419 PRESSAVG: 2166800 40.5585 -11.4137 -0.786938 -11.4137 -9.97352 27.3507 -0.786909 27.3508 -6.97021 GPRESSAVG: 2166800 40.3176 -10.7945 -0.327193 -13.1025 -10.0586 26.2605 -1.57777 26.044 -6.63112 TIMING: 2166800 CPU: 6919.57, 0.00319894/step Wall: 6919.57, 0.00319894/step, 2.51756 hours remaining, 241.011719 MB of memory in use. ENERGY: 2166800 4047.8635 20353.0081 14454.8988 255.4278 -203220.8512 2403.2460 0.0000 0.0000 52349.2390 -109357.1681 300.8518 -161706.4071 -108985.5244 299.2915 -257.6550 -224.5469 762571.9572 7.8716 7.8760 PRESSURE: 2167000 87.7568 71.4163 -59.2764 71.4168 63.0886 -94.5011 -59.2768 -94.5007 7.82994 GPRESSURE: 2167000 160.471 76.7246 -133.545 92.5073 -6.11037 -174.102 -60.1499 -59.2255 97.575 PRESSAVG: 2167000 -51.956 -7.47191 42.0092 -7.47188 72.8095 -11.3817 42.0092 -11.3817 23.3167 GPRESSAVG: 2167000 -51.8533 -6.21614 42.3716 -9.2927 73.2054 -11.4268 43.9656 -9.60322 22.4489 TIMING: 2167000 CPU: 6920.21, 0.00318222/step Wall: 6920.21, 0.00318222/step, 2.50423 hours remaining, 241.011719 MB of memory in use. ENERGY: 2167000 4036.3079 20602.9702 14422.6641 241.7380 -203114.7440 2409.5679 0.0000 0.0000 52046.6750 -109354.8209 299.1130 -161401.4959 -108998.0465 299.5122 52.8918 83.9784 761682.9311 14.7234 14.6003 PRESSURE: 2167200 -239.975 68.8296 -12.1482 68.8285 -243.423 -235.539 -12.147 -235.538 256.628 GPRESSURE: 2167200 -217.966 -77.6431 -107.771 -21.7986 -207.881 -232.304 30.7658 -275.526 280.955 PRESSAVG: 2167200 -24.7052 1.75114 -35.6349 1.75108 6.59664 11.5427 -35.6349 11.5426 6.02875 GPRESSAVG: 2167200 -24.4898 0.672638 -35.936 3.24748 5.77417 10.6698 -35.8911 10.5585 6.77325 TIMING: 2167200 CPU: 6920.84, 0.00315595/step Wall: 6920.84, 0.00315595/step, 2.48339 hours remaining, 241.011719 MB of memory in use. ENERGY: 2167200 4057.2124 20501.6452 14452.4534 235.2268 -203670.8079 2677.9058 0.0000 0.0000 52141.4779 -109604.8864 299.6578 -161746.3643 -109244.4769 299.5778 -75.5902 -48.2975 760436.2235 -4.0266 -3.9808 PRESSURE: 2167400 -26.8321 -83.5547 79.0465 -83.5543 -43.5262 -168.843 79.0469 -168.843 -401.684 GPRESSURE: 2167400 -99.1921 -105.599 72.5719 -115.633 39.2623 -178.995 116.707 -50.2334 -322.033 PRESSAVG: 2167400 -31.4601 13.7849 -44.7032 13.7849 3.32159 37.1915 -44.7032 37.1915 -1.0255 GPRESSAVG: 2167400 -32.5189 13.0391 -44.4317 14.5297 3.98353 35.9987 -45.2944 37.5361 -0.850306 TIMING: 2167400 CPU: 6921.47, 0.00315554/step Wall: 6921.47, 0.00315554/step, 2.48289 hours remaining, 241.011719 MB of memory in use. ENERGY: 2167400 4081.9592 20563.2874 14458.2941 245.5821 -203690.4193 2737.7373 0.0000 0.0000 52066.9251 -109536.6340 299.2293 -161603.5591 -109171.4172 298.8454 -157.3476 -127.3211 761647.5332 -9.7213 -9.7952 PRESSURE: 2167600 9.32555 -83.0999 -340.195 -83.0998 -226.76 51.0072 -340.195 51.007 199.693 GPRESSURE: 2167600 96.9207 -73.4955 -298.973 -131.825 -254.33 -57.3329 -297.905 -1.70955 214.247 PRESSAVG: 2167600 -3.60835 61.1475 -39.2481 61.1474 -7.59278 -42.0942 -39.2481 -42.0941 25.3966 GPRESSAVG: 2167600 -3.26351 60.4167 -38.045 60.6484 -7.92265 -39.0087 -39.3081 -43.3508 25.2302 TIMING: 2167600 CPU: 6922.11, 0.00316927/step Wall: 6922.11, 0.00316927/step, 2.49351 hours remaining, 241.011719 MB of memory in use. ENERGY: 2167600 4057.7923 20563.8044 14454.5910 247.8371 -203788.4450 2878.9992 0.0000 0.0000 51925.1666 -109660.2544 298.4146 -161585.4210 -109301.4298 299.2328 -5.9138 18.9456 759995.2650 4.7318 4.6814 PRESSURE: 2167800 -319.635 -112.886 -71.4702 -112.886 -317.181 48.9723 -71.47 48.9721 48.5188 GPRESSURE: 2167800 -291.041 -190.613 -101.271 -145.912 -332.793 100.027 -143.557 -40.8742 122.361 PRESSAVG: 2167800 -18.7405 -0.105891 -9.37812 -0.10596 -16.0537 -17.0658 -9.3781 -17.0659 8.44646 GPRESSAVG: 2167800 -17.4154 2.20061 -12.2235 -0.566042 -17.1902 -17.9856 -8.63484 -16.1001 7.89198 TIMING: 2167800 CPU: 6922.74, 0.00316081/step Wall: 6922.74, 0.00316081/step, 2.48668 hours remaining, 241.011719 MB of memory in use. ENERGY: 2167800 4056.2016 20561.8224 14434.0228 257.8588 -203194.1260 2469.7361 0.0000 0.0000 51811.0317 -109603.4525 297.7587 -161414.4843 -109246.4836 299.0536 -196.0990 -167.1579 761565.0643 -8.7826 -8.9046 PRESSURE: 2168000 20.8268 -36.324 102.377 -36.3244 -32.2763 -171.542 102.377 -171.542 96.5947 GPRESSURE: 2168000 79.5356 -43.7901 50.7802 76.6394 -22.8131 -158.241 109.83 -168.884 128.488 PRESSAVG: 2168000 0.045369 3.90228 2.65054 3.90231 7.89291 -22.8639 2.65053 -22.8639 -0.374331 GPRESSAVG: 2168000 -1.18642 3.16452 4.00857 3.8098 8.47057 -23.6482 2.87782 -22.6938 0.408031 TIMING: 2168000 CPU: 6923.37, 0.00316325/step Wall: 6923.37, 0.00316325/step, 2.48842 hours remaining, 241.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2168000 4043.0864 20713.3737 14420.6932 255.5455 -203326.0350 2552.4206 0.0000 0.0000 51656.4654 -109684.4502 296.8704 -161340.9156 -109324.5145 298.5045 28.3817 61.7369 759672.7827 2.5213 2.5641 PRESSURE: 2168200 -244.216 -281.385 -57.028 -281.384 -262.574 239.254 -57.0287 239.254 -179.132 GPRESSURE: 2168200 -129.291 -227.598 -68.0368 -266.249 -304.636 258.705 30.744 382.022 -175.213 PRESSAVG: 2168200 -14.8303 -8.3805 -7.16108 -8.38054 -25.8456 -18.0678 -7.16105 -18.0677 16.8586 GPRESSAVG: 2168200 -14.7119 -9.00532 -7.13305 -8.08635 -25.844 -17.927 -8.86692 -18.2249 16.9077 TIMING: 2168200 CPU: 6924.01, 0.00317636/step Wall: 6924.01, 0.00317636/step, 2.49856 hours remaining, 241.011719 MB of memory in use. ENERGY: 2168200 3947.7993 20566.9001 14414.9262 236.6161 -203212.0734 2671.8138 0.0000 0.0000 51660.8986 -109713.1193 296.8959 -161374.0179 -109348.7734 298.4954 -228.6411 -203.0469 762364.5364 -7.9391 -7.8828 LDB: ============= START OF LOAD BALANCING ============== 6936.46 LDB: ============== END OF LOAD BALANCING =============== 6936.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6936.46 LDB: ============= START OF LOAD BALANCING ============== 6936.78 LDB: Largest compute 7072 load 0.034671 is 17.8% of average load 0.195188 LDB: Average compute 0.004374 is 2.2% of average load 0.195188 LDB: TIME 6936.78 LOAD: AVG 0.195188 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 6936.78 LOAD: AVG 0.195188 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 6936.78 LOAD: AVG 0.195188 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 6936.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6936.79 PRESSURE: 2168400 161.937 26.1012 -24.7051 26.1008 548.611 155.068 -24.7047 155.069 144.156 GPRESSURE: 2168400 261.698 53.8989 -70.3586 11.7461 510.522 76.5206 -27.6989 212.055 175.715 PRESSAVG: 2168400 19.9848 -26.4258 42.19 -26.4258 13.5604 -22.6223 42.1901 -22.6223 8.66704 GPRESSAVG: 2168400 19.6501 -26.9311 41.5324 -26.5306 15.2149 -23.4719 41.0432 -22.2624 7.74491 TIMING: 2168400 CPU: 6924.65, 0.00323109/step Wall: 6924.65, 0.00323109/step, 2.54143 hours remaining, 241.832031 MB of memory in use. ENERGY: 2168400 4005.8276 20399.5378 14441.3627 242.8503 -203533.8941 2988.8127 0.0000 0.0000 51756.4420 -109699.0609 297.4450 -161455.5029 -109338.4180 298.2556 284.9013 315.9786 760531.8922 14.0708 14.2033 PRESSURE: 2168600 231.066 -10.7687 -113.546 -10.7691 -569.697 193.352 -113.546 193.353 163.756 GPRESSURE: 2168600 291.156 45.4783 -74.5435 143.681 -602.754 220.582 53.2223 113.752 191.909 PRESSAVG: 2168600 19.3937 -3.3406 -28.4707 -3.34059 21.9514 -21.7452 -28.4707 -21.7452 6.82294 GPRESSAVG: 2168600 19.4503 -2.61491 -27.8219 -2.98111 21.683 -19.9005 -25.0175 -21.5619 6.66717 TIMING: 2168600 CPU: 6925.29, 0.00317542/step Wall: 6925.29, 0.00317542/step, 2.49747 hours remaining, 241.832031 MB of memory in use. ENERGY: 2168600 3996.0481 20572.4707 14470.6434 244.0634 -203048.8974 2162.8487 0.0000 0.0000 52288.2353 -109314.5879 300.5012 -161602.8232 -108957.1585 298.8666 -58.2917 -39.8964 761845.7861 16.0560 15.9335 PRESSURE: 2168800 15.2018 -143.907 -335.55 -143.907 -334.251 -78.2644 -335.55 -78.2644 -527.429 GPRESSURE: 2168800 1.40403 -106.547 -315.901 -99.1575 -212.546 -43.7061 -295.845 -62.452 -539.787 PRESSAVG: 2168800 20.9069 -7.82265 -9.1301 -7.82263 11.4808 -48.8498 -9.1301 -48.8497 21.1928 GPRESSAVG: 2168800 19.8114 -6.11798 -8.98492 -9.69275 11.8667 -48.7017 -11.6391 -49.3274 22.6623 TIMING: 2168800 CPU: 6925.93, 0.00319611/step Wall: 6925.93, 0.00319611/step, 2.51357 hours remaining, 241.832031 MB of memory in use. ENERGY: 2168800 4055.8811 20597.8367 14438.0435 241.1911 -203403.5059 2532.3585 0.0000 0.0000 52060.1793 -109478.0157 299.1906 -161538.1950 -109107.4921 299.6568 -282.1594 -250.3097 761110.8024 17.8602 18.1134 PRESSURE: 2169000 -219.854 -117.985 -57.3928 -117.984 -138.148 29.5075 -57.3911 29.5085 24.0966 GPRESSURE: 2169000 -167.572 -74.4608 -140.611 -160.469 -52.6986 115.822 39.815 -45.4688 -35.7967 PRESSAVG: 2169000 -45.2969 -31.5225 -49.561 -31.5225 42.4161 -7.03523 -49.561 -7.03519 -23.7703 GPRESSAVG: 2169000 -44.8757 -34.2417 -50.1605 -28.5669 42.6662 -9.6787 -48.866 -6.94979 -24.3257 TIMING: 2169000 CPU: 6926.57, 0.00319899/step Wall: 6926.57, 0.00319899/step, 2.51565 hours remaining, 241.832031 MB of memory in use. ENERGY: 2169000 3943.6606 20548.4245 14471.1301 240.2311 -202921.5961 2338.9606 0.0000 0.0000 51841.6307 -109537.5586 297.9346 -161379.1893 -109179.6856 298.6895 -111.3017 -85.3559 762165.5177 -8.8837 -8.8451 PRESSURE: 2169200 332.722 184.557 -80.5494 184.558 115.17 125.525 -80.5505 125.526 138.987 GPRESSURE: 2169200 346.982 38.387 -36.1793 115.991 158.988 129.658 12.2568 -64.6036 160.15 PRESSAVG: 2169200 30.2773 26.1409 30.8065 26.141 -14.3491 11.1179 30.8065 11.118 12.5522 GPRESSAVG: 2169200 31.4182 26.1226 31.4614 22.6874 -15.3191 11.3106 29.996 11.0352 13.2101 TIMING: 2169200 CPU: 6927.2, 0.00318698/step Wall: 6927.2, 0.00318698/step, 2.50603 hours remaining, 241.832031 MB of memory in use. ENERGY: 2169200 4009.5647 20544.4928 14552.2683 255.9464 -203333.4643 2653.1438 0.0000 0.0000 51681.5248 -109636.5235 297.0144 -161318.0483 -109278.6431 298.4159 195.6264 222.0399 761392.7636 9.4935 9.7697 PRESSURE: 2169400 -104.281 -3.90995 -35.2451 -3.90932 -77.8482 -127.339 -35.2452 -127.34 -89.4493 GPRESSURE: 2169400 -17.2931 -48.8571 -72.311 7.28038 -132.315 -181.764 38.8183 -70.2927 -50.9882 PRESSAVG: 2169400 21.8844 -7.78576 39.6699 -7.78573 -49.452 -48.566 39.67 -48.566 23.5332 GPRESSAVG: 2169400 22.3615 -7.48985 37.9785 -4.98731 -48.3482 -47.8142 42.0236 -48.9306 22.0485 TIMING: 2169400 CPU: 6927.84, 0.0031806/step Wall: 6927.84, 0.0031806/step, 2.50084 hours remaining, 241.832031 MB of memory in use. ENERGY: 2169400 3902.7154 20459.4505 14436.9395 262.7359 -203032.2391 2570.3857 0.0000 0.0000 51916.7059 -109483.3061 298.3660 -161400.0119 -109117.4124 298.5032 -90.5261 -66.8656 761631.1638 -1.3448 -1.3128 PRESSURE: 2169600 -31.3639 -46.1243 -31.2128 -46.1242 -104.61 325.6 -31.212 325.6 -82.6454 GPRESSURE: 2169600 -0.210345 -145.15 -1.1745 -105.578 -66.7333 296.107 -28.0377 367.64 -74.9037 PRESSAVG: 2169600 -21.6261 -39.3998 54.6824 -39.3998 9.51695 -18.7202 54.6824 -18.7203 8.85517 GPRESSAVG: 2169600 -23.2091 -38.4201 57.6009 -41.3987 9.12693 -17.8454 53.6897 -18.6344 10.2906 TIMING: 2169600 CPU: 6928.47, 0.00314961/step Wall: 6928.47, 0.00314961/step, 2.4763 hours remaining, 241.832031 MB of memory in use. ENERGY: 2169600 3944.2954 20467.3452 14485.6560 268.0595 -203110.9752 2381.5103 0.0000 0.0000 52169.8569 -109394.2518 299.8209 -161564.1087 -109036.3355 299.2037 -72.8732 -47.2825 762559.4432 -1.0846 -1.2638 PRESSURE: 2169800 -196.623 -155.076 39.0746 -155.075 -314.346 -113.806 39.0735 -113.806 301.457 GPRESSURE: 2169800 -134.393 -155.973 -21.4501 -175.693 -274.985 -96.6514 36.2781 -218.277 277.648 PRESSAVG: 2169800 41.2499 -76.5361 -3.55538 -76.5362 -55.4224 -11.5129 -3.55534 -11.513 -14.8493 GPRESSAVG: 2169800 41.8787 -76.5741 -4.36891 -76.4974 -55.121 -9.96623 -3.44443 -12.3785 -15.3637 TIMING: 2169800 CPU: 6929.1, 0.00314654/step Wall: 6929.1, 0.00314654/step, 2.4737 hours remaining, 241.832031 MB of memory in use. ENERGY: 2169800 4051.3966 20624.8106 14452.3866 240.7624 -202711.3438 2319.8981 0.0000 0.0000 51712.1239 -109309.9656 297.1903 -161022.0895 -108957.6935 299.3381 -69.8371 -43.9100 761145.3023 -9.6739 -9.5353 PRESSURE: 2170000 -31.5048 40.5064 112.354 40.5071 304.722 -97.943 112.354 -97.9441 197.144 GPRESSURE: 2170000 86.9657 22.8817 159.982 -35.9785 282.046 -49.0458 74.0668 48.3557 183.613 PRESSAVG: 2170000 15.1994 -62.9892 -81.2661 -62.9892 -5.46392 -26.285 -81.2661 -26.2851 -23.5446 GPRESSAVG: 2170000 15.6436 -63.2513 -81.1447 -61.9663 -5.93633 -27.9328 -82.0876 -25.1013 -23.3774 TIMING: 2170000 CPU: 6929.73, 0.00316162/step Wall: 6929.73, 0.00316162/step, 2.48539 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2170000 3931.4322 20398.1217 14433.6235 254.5077 -203275.0967 2712.4612 0.0000 0.0000 52220.7479 -109324.2025 300.1134 -161544.9504 -108963.8215 299.3290 156.7871 184.2085 761928.4191 -4.6031 -4.5567 PRESSURE: 2170200 71.4266 -67.4792 -231.343 -67.4792 -37.9975 -169.565 -231.343 -169.565 -382.69 GPRESSURE: 2170200 69.9267 -59.9765 -220.546 -152.559 42.2724 -193.498 -163.671 -48.8801 -364.444 PRESSAVG: 2170200 8.43975 21.196 -23.4999 21.196 -11.1347 10.4314 -23.4999 10.4315 -2.20112 GPRESSAVG: 2170200 7.6448 21.427 -23.4544 22.2685 -10.253 8.49198 -21.2759 11.405 -2.63577 TIMING: 2170200 CPU: 6930.36, 0.00315675/step Wall: 6930.36, 0.00315675/step, 2.48138 hours remaining, 241.832031 MB of memory in use. ENERGY: 2170200 3865.8620 20326.8456 14478.7837 231.9253 -203585.8906 2765.3774 0.0000 0.0000 52284.6141 -109632.4825 300.4804 -161917.0966 -109251.4733 298.6337 -116.4203 -84.0816 763729.0834 -1.6320 -1.7480 PRESSURE: 2170400 -251.874 28.3681 180.25 28.3682 329.645 67.2843 180.25 67.2842 336.537 GPRESSURE: 2170400 -184.603 60.7763 134.345 80.4644 403.287 88.8221 79.2516 8.75746 297.681 PRESSAVG: 2170400 -13.484 -22.4379 -8.83263 -22.4379 25.501 -26.7177 -8.8326 -26.7177 -5.31366 GPRESSAVG: 2170400 -13.0079 -22.836 -10.444 -23.5559 24.9479 -24.6794 -9.77532 -28.5205 -5.00564 TIMING: 2170400 CPU: 6931, 0.00318742/step Wall: 6931, 0.00318742/step, 2.50531 hours remaining, 241.832031 MB of memory in use. ENERGY: 2170400 3924.8315 20421.2625 14405.7823 227.0338 -203516.6914 2848.9559 0.0000 0.0000 52065.7445 -109623.0809 299.2225 -161688.8254 -109251.5776 298.5268 138.1029 172.1216 762407.2213 2.2345 2.3115 PRESSURE: 2170600 -286.116 55.714 -66.6852 55.7147 -296.563 -78.6155 -66.6854 -78.6159 -126.063 GPRESSURE: 2170600 -202.13 -22.01 -34.6996 64.1825 -343.879 -82.1488 -39.8083 -19.7927 -76.9358 PRESSAVG: 2170600 -7.7526 -19.1823 64.9261 -19.1822 0.0559781 12.1719 64.9261 12.1718 -28.2134 GPRESSAVG: 2170600 -8.12367 -20.3071 67.6435 -19.7061 -0.131868 12.6302 63.5036 12.6593 -27.7458 TIMING: 2170600 CPU: 6931.64, 0.00320361/step Wall: 6931.64, 0.00320361/step, 2.51786 hours remaining, 241.832031 MB of memory in use. ENERGY: 2170600 3942.4198 20509.4389 14497.7669 263.9098 -203190.7467 2438.7388 0.0000 0.0000 51845.8575 -109692.6150 297.9589 -161538.4725 -109340.0181 298.3168 -236.2475 -207.6483 763577.1668 -11.9700 -12.0005 PRESSURE: 2170800 -102.321 118.53 121.395 118.531 35.3765 176.798 121.395 176.798 -301.241 GPRESSURE: 2170800 -103.067 91.3418 68.1032 83.4173 -19.7938 115.617 107.065 107.81 -168.29 PRESSAVG: 2170800 -12.6047 45.7067 6.03041 45.7068 13.1716 16.0845 6.03042 16.0845 -5.79679 GPRESSAVG: 2170800 -12.9111 45.9893 5.74029 46.0901 13.3827 13.5467 4.3031 15.0631 -5.44624 TIMING: 2170800 CPU: 6932.28, 0.00316797/step Wall: 6932.28, 0.00316797/step, 2.48967 hours remaining, 241.832031 MB of memory in use. ENERGY: 2170800 3883.6434 20433.5520 14417.1886 241.4265 -203561.9194 2862.8618 0.0000 0.0000 52382.1213 -109341.1258 301.0408 -161723.2472 -108977.8867 298.8087 -122.7286 -97.0505 762743.5713 -1.7433 -1.6582 PRESSURE: 2171000 -476.773 82.8188 93.6376 82.8177 -139.819 34.0209 93.6368 34.0206 -101.727 GPRESSURE: 2171000 -427.69 105.295 124.283 72.4846 -153.252 -1.2478 201.823 214.15 -67.215 PRESSAVG: 2171000 -76.5335 -24.9464 -0.278599 -24.9464 76.5154 32.9403 -0.278616 32.9403 14.6752 GPRESSAVG: 2171000 -76.5769 -24.266 -1.11587 -26.8413 76.5243 34.4948 1.44567 34.7145 15.3788 TIMING: 2171000 CPU: 6932.91, 0.00315889/step Wall: 6932.91, 0.00315889/step, 2.48236 hours remaining, 241.832031 MB of memory in use. ENERGY: 2171000 3959.9616 20615.4601 14514.5714 228.6640 -203280.7958 2643.9592 0.0000 0.0000 52069.8327 -109248.3467 299.2460 -161318.1794 -108888.9800 299.4281 -239.4399 -216.0524 762811.0397 4.8857 5.1087 PRESSURE: 2171200 -447.51 34.4527 144.002 34.4531 39.0463 256.12 144.003 256.12 -2.07291 GPRESSURE: 2171200 -431.8 -45.6981 114.415 -8.36794 73.3511 315.597 67.6546 144.135 18.4879 PRESSAVG: 2171200 -23.3198 -1.93955 -3.1259 -1.93957 33.0087 30.4895 -3.12588 30.4895 -28.8242 GPRESSAVG: 2171200 -22.6388 -1.92308 -4.76742 -1.69369 32.0341 31.0244 -1.02541 29.3372 -28.8311 TIMING: 2171200 CPU: 6933.54, 0.00318608/step Wall: 6933.54, 0.00318608/step, 2.50355 hours remaining, 241.832031 MB of memory in use. ENERGY: 2171200 4002.7845 20418.8323 14487.1480 225.2596 -203256.9866 2658.6735 0.0000 0.0000 52196.6548 -109267.6339 299.9749 -161464.2887 -108897.8698 298.8773 -136.8455 -113.3202 764450.7570 -6.3785 -6.4786 PRESSURE: 2171400 129.776 -177.424 -1.01287 -177.424 -54.9725 -0.117365 -1.01302 -0.116702 -106.731 GPRESSURE: 2171400 99.7176 -76.0615 -7.98904 -128.45 92.4629 -21.2396 -92.4112 -121.548 -118.239 PRESSAVG: 2171400 -32.2214 8.38957 -33.011 8.38959 37.4475 -0.92603 -33.011 -0.926107 49.6539 GPRESSAVG: 2171400 -32.7439 8.78537 -32.6888 12.5917 38.6264 -0.346795 -33.1859 -1.60483 48.9653 TIMING: 2171400 CPU: 6934.18, 0.00319322/step Wall: 6934.18, 0.00319322/step, 2.50898 hours remaining, 241.832031 MB of memory in use. ENERGY: 2171400 3970.4980 20469.8988 14354.4133 253.1035 -203296.2920 2766.7218 0.0000 0.0000 52166.7108 -109314.9458 299.8028 -161481.6566 -108959.4166 299.3258 -10.6426 24.6473 764194.0373 18.2933 18.2826 PRESSURE: 2171600 13.5346 -55.1251 -15.2183 -55.1256 89.0121 29.348 -15.2178 29.3477 260.809 GPRESSURE: 2171600 99.8678 -80.102 99.1869 13.0242 118.758 -38.876 6.78914 55.218 222.711 PRESSAVG: 2171600 25.368 9.03218 -13.5346 9.03219 -25.0141 20.286 -13.5345 20.286 -18.9264 GPRESSAVG: 2171600 25.7338 9.5251 -12.165 7.10786 -24.203 18.0798 -14.5848 22.4348 -20.3772 TIMING: 2171600 CPU: 6934.82, 0.00319267/step Wall: 6934.82, 0.00319267/step, 2.50837 hours remaining, 241.832031 MB of memory in use. ENERGY: 2171600 3989.0032 20492.3519 14436.3473 246.1574 -203284.5445 2641.3536 0.0000 0.0000 52157.8579 -109321.4732 299.7519 -161479.3312 -108966.2001 299.3209 121.1185 147.1122 761658.3276 -6.1908 -6.2821 PRESSURE: 2171800 45.4337 136.486 -128.547 136.486 169.45 -87.2114 -128.547 -87.2106 0.689904 GPRESSURE: 2171800 116.899 114.805 -148.486 91.5683 186.948 -173.465 -56.4187 -3.13207 -11.0889 PRESSAVG: 2171800 -2.14321 35.558 62.6235 35.558 33.4971 7.83166 62.6235 7.83171 13.4662 GPRESSAVG: 2171800 -3.05223 34.7743 61.514 35.1186 33.6338 8.78955 63.8336 7.43586 14.3598 TIMING: 2171800 CPU: 6935.45, 0.00315413/step Wall: 6935.45, 0.00315413/step, 2.47792 hours remaining, 241.832031 MB of memory in use. ENERGY: 2171800 4061.6234 20418.3020 14474.4926 239.8591 -203133.9148 2607.8807 0.0000 0.0000 51901.4004 -109430.3567 298.2781 -161331.7571 -109076.0333 299.2144 71.8580 97.5862 762635.9932 14.9400 14.9804 PRESSURE: 2172000 -76.5691 50.2191 -251.195 50.2189 111.068 -73.61 -251.195 -73.6087 -60.8022 GPRESSURE: 2172000 43.2447 83.9567 -230.853 63.4298 95.8678 -177.071 -267.225 73.553 -73.3075 PRESSAVG: 2172000 46.7376 46.2098 -38.4568 46.2097 -8.92611 -27.1411 -38.4568 -27.1411 22.0166 GPRESSAVG: 2172000 47.5959 45.5609 -37.8241 45.7601 -9.74006 -25.8607 -37.8108 -24.0541 21.8655 TIMING: 2172000 CPU: 6936.08, 0.00314964/step Wall: 6936.08, 0.00314964/step, 2.47422 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2172000 3897.7891 20443.4733 14524.0711 239.1098 -202982.3280 2530.8599 0.0000 0.0000 51919.2927 -109427.7319 298.3809 -161347.0247 -109067.0258 298.7396 -8.7678 21.9350 763623.5367 19.9427 19.9071 PRESSURE: 2172200 -141.101 387.164 -28.6399 387.164 -35.198 -41.5769 -28.6405 -41.5763 -619.634 GPRESSURE: 2172200 -81.1645 287.314 7.30164 259.366 -57.9383 -70.0483 -37.8255 -22.6843 -568.17 PRESSAVG: 2172200 -43.2657 2.72528 -108.852 2.72533 25.0458 -34.7141 -108.852 -34.7141 -11.8789 GPRESSAVG: 2172200 -43.5394 2.70811 -110.244 4.3291 25.0354 -35.6492 -109.29 -37.7035 -11.3258 TIMING: 2172200 CPU: 6936.71, 0.00316092/step Wall: 6936.71, 0.00316092/step, 2.4829 hours remaining, 241.832031 MB of memory in use. ENERGY: 2172200 4015.8467 20483.9352 14482.3477 237.5883 -202516.2418 2030.8705 0.0000 0.0000 51795.9346 -109469.7189 297.6719 -161265.6535 -109113.4476 298.4328 -265.3109 -235.7577 762864.6014 -10.0329 -9.9433 LDB: ============= START OF LOAD BALANCING ============== 6949.17 LDB: ============== END OF LOAD BALANCING =============== 6949.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6949.17 LDB: ============= START OF LOAD BALANCING ============== 6949.49 LDB: Largest compute 7072 load 0.036195 is 18.5% of average load 0.195241 LDB: Average compute 0.004373 is 2.2% of average load 0.195241 LDB: TIME 6949.49 LOAD: AVG 0.195241 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 6949.49 LOAD: AVG 0.195241 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: TIME 6949.49 LOAD: AVG 0.195241 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: ============== END OF LOAD BALANCING =============== 6949.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6949.5 PRESSURE: 2172400 69.9568 68.5801 -34.9605 68.5806 -227.364 98.9056 -34.9601 98.9058 -31.0033 GPRESSURE: 2172400 170.954 -16.6826 -18.885 -27.1245 -187.683 73.8395 -15.4791 -34.3068 -77.279 PRESSAVG: 2172400 35.6935 19.3202 -28.7181 19.3202 9.59576 38.7996 -28.7182 38.7996 -2.01129 GPRESSAVG: 2172400 36.1162 18.1798 -26.919 18.2534 10.351 38.6254 -30.7001 38.5077 -3.19055 TIMING: 2172400 CPU: 6937.36, 0.00323319/step Wall: 6937.36, 0.00323319/step, 2.53949 hours remaining, 240.296875 MB of memory in use. ENERGY: 2172400 4032.3011 20483.2158 14513.1891 259.4958 -203145.3981 2575.8971 0.0000 0.0000 52025.4289 -109255.8703 298.9909 -161281.2992 -108900.6552 298.9369 -62.8035 -31.3363 762982.5483 14.4260 14.4255 PRESSURE: 2172600 112.578 243.054 110.197 243.053 334.067 -85.3449 110.198 -85.3435 55.3846 GPRESSURE: 2172600 151.555 239.935 120.61 206.32 327.949 -91.5185 103.815 54.3758 111.577 PRESSAVG: 2172600 -24.354 -0.0922138 14.9553 -0.0922546 0.155904 92.2514 14.9553 92.2514 -4.26235 GPRESSAVG: 2172600 -24.8913 1.56879 14.3572 -1.15017 -0.0571353 92.3873 15.8358 91.7716 -3.72534 TIMING: 2172600 CPU: 6938, 0.0031763/step Wall: 6938, 0.0031763/step, 2.49463 hours remaining, 240.296875 MB of memory in use. ENERGY: 2172600 4038.2623 20471.9201 14510.6445 214.8563 -203294.0170 2796.4935 0.0000 0.0000 51936.3406 -109325.4997 298.4789 -161261.8403 -108971.1048 298.8880 167.3432 197.0270 763590.8683 -9.4868 -9.5579 PRESSURE: 2172800 -52.2974 -30.8024 -65.917 -30.8032 -522.287 230.344 -65.9171 230.343 -221.028 GPRESSURE: 2172800 -3.26588 -48.8523 -71.0358 22.543 -468.858 241.374 -46.516 246.058 -222.264 PRESSAVG: 2172800 72.9294 -43.7469 -35.5056 -43.7469 -39.8023 38.923 -35.5056 38.923 -13.0146 GPRESSAVG: 2172800 73.0085 -43.8053 -36.8425 -43.9903 -40.4512 40.8493 -35.0077 38.8413 -13.1367 TIMING: 2172800 CPU: 6938.63, 0.00315953/step Wall: 6938.63, 0.00315953/step, 2.48128 hours remaining, 240.296875 MB of memory in use. ENERGY: 2172800 4023.6207 20226.7071 14551.1999 260.7662 -202875.3838 2404.5795 0.0000 0.0000 52011.3188 -109397.1916 298.9098 -161408.5104 -109029.7824 298.8029 -265.2041 -231.4625 763927.0992 6.7042 6.4735 PRESSURE: 2173000 -141.95 -197.769 48.403 -197.769 -224.349 -206.988 48.4032 -206.987 -48.0992 GPRESSURE: 2173000 -149.545 -234.218 -38.6505 -133.972 -181.332 -156.478 154.366 -75.2314 7.7757 PRESSAVG: 2173000 33.7994 -36.6968 2.5243 -36.6968 -32.734 11.374 2.52432 11.3739 -10.1512 GPRESSAVG: 2173000 33.4355 -36.9178 4.51669 -35.8524 -32.4609 10.4522 3.7156 12.3412 -10.0065 TIMING: 2173000 CPU: 6939.26, 0.00315823/step Wall: 6939.26, 0.00315823/step, 2.48009 hours remaining, 240.296875 MB of memory in use. ENERGY: 2173000 3993.2470 20374.4603 14569.2103 271.4038 -203557.8738 2934.1963 0.0000 0.0000 51970.4560 -109444.9000 298.6749 -161415.3561 -109084.5278 299.1696 -138.1329 -107.7004 762183.2629 -3.0286 -3.0106 PRESSURE: 2173200 198.783 -147.978 -149.667 -147.979 262.937 22.8342 -149.667 22.8351 155.272 GPRESSURE: 2173200 216.638 -84.5071 -146.496 -46.0752 306.338 -39.1141 -177.938 24.3277 169.41 PRESSAVG: 2173200 -21.7368 19.0652 35.9784 19.0652 -13.511 -20.3973 35.9783 -20.3973 21.6756 GPRESSAVG: 2173200 -20.7773 21.7979 36.3244 18.8292 -13.7741 -21.0969 34.6651 -20.007 20.3084 TIMING: 2173200 CPU: 6939.89, 0.00313585/step Wall: 6939.89, 0.00313585/step, 2.46234 hours remaining, 240.296875 MB of memory in use. ENERGY: 2173200 3989.7540 20555.8013 14520.3699 255.9506 -203396.5820 2738.2399 0.0000 0.0000 51908.7374 -109427.7290 298.3202 -161336.4665 -109072.4445 298.7280 205.6644 230.7954 761052.7413 -4.5241 -4.7477 PRESSURE: 2173400 533.362 -146.258 -68.8268 -146.258 182.535 -67.4413 -68.8272 -67.4403 34.5824 GPRESSURE: 2173400 437.823 -102.528 -35.5499 -196.551 300.062 32.8155 -90.1163 -195.275 93.7315 PRESSAVG: 2173400 -32.3326 -16.1934 3.10585 -16.1934 14.7106 14.2282 3.10591 14.2283 4.90333 GPRESSAVG: 2173400 -33.0303 -18.4787 3.76403 -16.3909 15.0862 14.6395 0.470791 11.7377 5.24645 TIMING: 2173400 CPU: 6940.52, 0.00315041/step Wall: 6940.52, 0.00315041/step, 2.4736 hours remaining, 240.296875 MB of memory in use. ENERGY: 2173400 3979.5951 20445.7136 14492.1865 255.7057 -203487.3356 2912.4350 0.0000 0.0000 52201.3720 -109200.3277 300.0020 -161401.6997 -108837.7092 299.4556 250.1597 277.2054 762013.9573 -4.2396 -4.2326 PRESSURE: 2173600 -13.3382 -81.1923 -150.221 -81.1913 88.2582 20.7627 -150.222 20.762 -353.448 GPRESSURE: 2173600 16.1981 -12.4931 -102.893 -45.1312 116.472 -13.8307 -63.1085 22.1493 -324.553 PRESSAVG: 2173600 53.6565 3.27809 -21.0147 3.27807 -11.1338 -22.7189 -21.0148 -22.719 -0.641083 GPRESSAVG: 2173600 51.9057 5.35591 -22.3411 3.36126 -10.9072 -22.562 -15.9123 -22.0261 0.53445 TIMING: 2173600 CPU: 6941.15, 0.00317789/step Wall: 6941.15, 0.00317789/step, 2.495 hours remaining, 240.296875 MB of memory in use. ENERGY: 2173600 4074.0379 20562.8486 14579.5263 239.6272 -203431.0047 2716.0260 0.0000 0.0000 51943.6994 -109315.2394 298.5212 -161258.9387 -108956.5840 299.4844 -92.8426 -63.9609 762552.0054 13.9605 13.8443 PRESSURE: 2173800 209.342 -200.894 -105.802 -200.894 69.8481 8.26541 -105.802 8.26534 606.286 GPRESSURE: 2173800 270.083 -211.257 -73.1248 -175.753 55.9661 -30.6034 -63.6807 70.0087 650.65 PRESSAVG: 2173800 26.3074 -27.0612 41.3739 -27.0612 -11.3039 -9.82268 41.3739 -9.82275 -1.90267 GPRESSAVG: 2173800 28.9686 -30.7069 41.2068 -26.0423 -11.6124 -11.7913 38.4829 -7.84946 -3.87639 TIMING: 2173800 CPU: 6941.79, 0.00318782/step Wall: 6941.79, 0.00318782/step, 2.50262 hours remaining, 240.296875 MB of memory in use. ENERGY: 2173800 3912.7742 20423.7427 14592.7582 241.3087 -203399.3071 2772.4478 0.0000 0.0000 52207.8935 -109248.3821 300.0395 -161456.2756 -108882.0704 299.2509 295.1587 325.5666 759579.8349 4.3669 4.4933 PRESSURE: 2174000 -9.61176 -119.179 -18.5078 -119.18 -270.574 -13.9599 -18.5085 -13.9605 -197.997 GPRESSURE: 2174000 33.746 -131.92 -28.0003 -167.056 -307.779 -22.5015 41.1336 24.2004 -136.886 PRESSAVG: 2174000 22.3918 -106.084 -2.53878 -106.084 8.27076 55.3241 -2.53873 55.324 20.315 GPRESSAVG: 2174000 21.1969 -105.497 -3.27092 -106.942 7.59525 54.7513 -1.58251 53.2315 21.9482 TIMING: 2174000 CPU: 6942.43, 0.00318043/step Wall: 6942.43, 0.00318042/step, 2.49663 hours remaining, 240.296875 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: 2174000 4012.6171 20600.6415 14539.4756 258.3414 -203225.3366 2578.6184 0.0000 0.0000 51892.0097 -109343.6327 298.2241 -161235.6424 -108977.7649 299.7843 -159.3940 -136.9729 761054.7438 16.9925 16.9134 PRESSURE: 2174200 269.196 -239.674 212.256 -239.675 -193.733 -123.889 212.255 -123.89 35.8627 GPRESSURE: 2174200 143.219 -251.676 180.701 -209.159 -36.0328 -188.758 90.5795 -153.405 92.223 PRESSAVG: 2174200 35.3545 -40.5535 -60.2254 -40.5534 -42.4344 14.4807 -60.2253 14.4808 -18.6609 GPRESSAVG: 2174200 33.8249 -39.236 -59.062 -40.4563 -40.5555 14.66 -61.1807 15.5698 -18.6368 TIMING: 2174200 CPU: 6943.06, 0.00316528/step Wall: 6943.06, 0.00316528/step, 2.48457 hours remaining, 240.296875 MB of memory in use. ENERGY: 2174200 4050.6321 20455.3844 14537.5730 236.8823 -203294.1039 2503.4851 0.0000 0.0000 52018.0306 -109492.1165 298.9483 -161510.1471 -109126.7560 299.9717 37.1087 66.4698 761476.1875 -8.5803 -8.4558 PRESSURE: 2174400 229.697 113.992 1.65629 113.992 -296.114 -40.2954 1.65591 -40.2954 24.7238 GPRESSURE: 2174400 185.201 83.6437 -92.1973 158.328 -138.471 34.4972 -17.5129 -23.1923 0.633479 PRESSAVG: 2174400 -24.1663 -6.65321 -27.0483 -6.65322 51.018 -53.0279 -27.0483 -53.0281 6.3274 GPRESSAVG: 2174400 -24.5382 -6.16152 -26.4805 -8.1091 51.1627 -50.9795 -27.7008 -54.5484 7.3347 TIMING: 2174400 CPU: 6943.69, 0.00316392/step Wall: 6943.69, 0.00316392/step, 2.48333 hours remaining, 240.296875 MB of memory in use. ENERGY: 2174400 4007.7920 20472.4954 14488.5341 244.8682 -203358.4050 2596.2810 0.0000 0.0000 52184.4719 -109363.9623 299.9049 -161548.4343 -109004.9639 299.3369 -13.8979 15.7879 760501.8448 11.0597 11.3197 PRESSURE: 2174600 324.709 -149.264 36.7834 -149.264 464.883 98.8713 36.7832 98.872 30.8088 GPRESSURE: 2174600 327.715 -257.417 49.3235 -285.184 431.121 79.9814 97.5804 -169.278 129.377 PRESSAVG: 2174600 74.8259 -50.201 -0.389328 -50.2009 -60.8726 3.22722 -0.389384 3.22726 -14.1668 GPRESSAVG: 2174600 75.6448 -53.0265 -0.572224 -47.7335 -60.4959 2.21763 0.817143 2.19791 -16.0786 TIMING: 2174600 CPU: 6944.32, 0.00314978/step Wall: 6944.32, 0.00314978/step, 2.47205 hours remaining, 240.296875 MB of memory in use. ENERGY: 2174600 3949.6631 20528.5118 14412.7305 237.2597 -203318.0096 2687.0864 0.0000 0.0000 52004.9684 -109497.7898 298.8733 -161502.7582 -109142.8560 299.2550 273.4672 296.0709 759782.0059 -0.0712 -0.3099 PRESSURE: 2174800 429.359 60.054 -1.12371 60.0549 -20.1534 -29.4835 -1.12276 -29.4836 249.452 GPRESSURE: 2174800 411.114 25.632 -41.5603 13.1692 117.65 -35.8553 -14.3018 -29.3073 224.412 PRESSAVG: 2174800 17.9099 -27.7616 -56.2197 -27.7616 -5.20394 -15.9666 -56.2198 -15.9667 12.782 GPRESSAVG: 2174800 17.9318 -27.653 -56.2468 -30.1405 -6.34514 -15.7735 -58.9405 -16.951 13.6589 TIMING: 2174800 CPU: 6944.96, 0.00318327/step Wall: 6944.96, 0.00318327/step, 2.49816 hours remaining, 240.296875 MB of memory in use. ENERGY: 2174800 3953.6399 20555.0810 14425.7986 240.2016 -203287.0794 2867.6049 0.0000 0.0000 51832.7803 -109411.9731 297.8837 -161244.7535 -109051.4685 299.1607 219.5525 251.0588 760891.1261 8.4960 8.4152 PRESSURE: 2175000 -344.762 -141.848 115.259 -141.849 52.3549 287.584 115.258 287.583 163.185 GPRESSURE: 2175000 -218.329 21.7384 203.525 -76.3889 -43.8767 175.153 128.292 370.985 219.054 PRESSAVG: 2175000 57.4531 -33.0714 20.0537 -33.0714 -34.1457 20.0971 20.0537 20.097 15.4087 GPRESSAVG: 2175000 57.8358 -30.7252 20.3365 -31.2451 -34.688 21.1339 21.5257 22.3735 15.5037 TIMING: 2175000 CPU: 6945.59, 0.00315002/step Wall: 6945.59, 0.00315002/step, 2.47189 hours remaining, 240.296875 MB of memory in use. ENERGY: 2175000 3974.5487 20477.5514 14531.6727 222.3619 -203211.7452 2509.7381 0.0000 0.0000 51886.9479 -109608.9244 298.1950 -161495.8723 -109246.1602 298.6431 -43.0740 -14.3838 761503.9558 12.9054 12.8838 PRESSURE: 2175200 122.341 16.5023 -133.041 16.5029 -317.419 100.493 -133.041 100.492 -43.7557 GPRESSURE: 2175200 131.369 -3.97423 -78.9422 -71.0846 -279.534 96.3013 -36.3529 82.4024 -18.645 PRESSAVG: 2175200 -21.0533 21.3588 3.52382 21.3589 4.82281 14.607 3.5238 14.607 -0.629029 GPRESSAVG: 2175200 -20.709 19.439 2.38695 20.8898 5.60817 11.7868 4.8735 13.0841 -1.57081 TIMING: 2175200 CPU: 6946.22, 0.00317789/step Wall: 6946.22, 0.00317789/step, 2.49359 hours remaining, 240.296875 MB of memory in use. ENERGY: 2175200 4004.5490 20510.5601 14519.2064 260.5515 -203730.9959 2851.7288 0.0000 0.0000 51891.3698 -109693.0303 298.2204 -161584.4001 -109323.7044 298.5648 -79.6111 -55.6032 760213.9383 -5.6198 -5.5572 PRESSURE: 2175400 -64.8315 -164.121 -98.5166 -164.12 123.446 -38.253 -98.5174 -38.2533 -238.754 GPRESSURE: 2175400 13.5563 -111.948 -139.548 -124.801 248.466 -53.7353 -66.1248 18.8498 -342.991 PRESSAVG: 2175400 17.3312 -63.7444 21.6983 -63.7444 -4.86493 0.406107 21.6984 0.406157 -33.4911 GPRESSAVG: 2175400 16.9621 -62.574 20.731 -62.5591 -5.44817 1.48895 20.757 1.59387 -32.5001 TIMING: 2175400 CPU: 6946.86, 0.00318142/step Wall: 6946.86, 0.00318142/step, 2.49617 hours remaining, 240.296875 MB of memory in use. ENERGY: 2175400 4035.2828 20487.2322 14435.6963 246.5315 -203240.8318 2563.2963 0.0000 0.0000 51930.1223 -109542.6703 298.4431 -161472.7926 -109189.1464 298.4022 -60.0465 -26.9895 760638.0286 -7.0083 -6.9954 PRESSURE: 2175600 -62.6892 -63.0514 54.4999 -63.0503 78.2451 102.532 54.5006 102.531 -279.317 GPRESSURE: 2175600 -13.1206 58.3005 -40.1229 -90.2515 43.6767 97.6455 -89.6634 59.1677 -198.169 PRESSAVG: 2175600 -13.7829 7.23839 -49.5755 7.23845 5.42611 11.4156 -49.5755 11.4156 3.58513 GPRESSAVG: 2175600 -14.5717 5.29991 -47.6937 6.02835 7.14551 12.3997 -49.3034 10.5363 3.07023 TIMING: 2175600 CPU: 6947.49, 0.0031491/step Wall: 6947.49, 0.0031491/step, 2.47065 hours remaining, 240.296875 MB of memory in use. ENERGY: 2175600 3980.8895 20649.3879 14464.0533 222.7460 -203674.9751 2630.8319 0.0000 0.0000 52119.8142 -109607.2523 299.5333 -161727.0665 -109240.2480 298.7659 -87.9204 -55.8708 759605.8393 -1.5906 -1.4520 PRESSURE: 2175800 -443.945 -176.334 -56.1607 -176.334 -156.65 -153.424 -56.16 -153.423 -20.303 GPRESSURE: 2175800 -380.805 -101.11 0.463258 -258.648 -209.663 -117.636 -37.6715 -82.4395 41.3074 PRESSAVG: 2175800 -21.5267 -39.8912 -49.5625 -39.8911 60.483 35.2626 -49.5625 35.2625 21.1911 GPRESSAVG: 2175800 -20.5738 -38.9831 -50.459 -38.9931 58.7363 33.8532 -50.8796 35.2679 21.6391 TIMING: 2175800 CPU: 6948.12, 0.00316257/step Wall: 6948.12, 0.00316257/step, 2.48104 hours remaining, 240.296875 MB of memory in use. ENERGY: 2175800 4057.8651 20752.4408 14452.1523 235.7824 -203524.9320 2600.7393 0.0000 0.0000 51947.7269 -109478.2252 298.5443 -161425.9521 -109117.0619 299.3515 -206.9662 -183.0534 761270.4572 20.0491 19.9339 PRESSURE: 2176000 64.9191 255.746 -66.0276 255.746 36.2422 -81.2396 -66.0287 -81.24 716.652 GPRESSURE: 2176000 112.693 192.369 3.62305 189.197 52.0132 -128.264 -34.9165 3.10579 726.078 PRESSAVG: 2176000 1.95498 0.28488 26.1947 0.284937 -25.4179 -48.4871 26.1946 -48.4872 1.16873 GPRESSAVG: 2176000 2.14609 -0.762627 27.974 -1.601 -25.1375 -46.8225 28.3338 -47.2809 0.882549 TIMING: 2176000 CPU: 6948.75, 0.00315041/step Wall: 6948.75, 0.00315041/step, 2.47132 hours remaining, 240.296875 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: 2176000 4035.5464 20549.1639 14505.9362 262.3812 -203619.1298 2899.9844 0.0000 0.0000 51949.7042 -109416.4135 298.5557 -161366.1176 -109060.8106 299.0444 272.6045 296.9281 760637.7282 -7.4314 -7.3696 PRESSURE: 2176200 -196.511 -190.64 167.717 -190.64 -306.454 61.6669 167.718 61.6668 10.075 GPRESSURE: 2176200 -152.228 -155.563 44.2195 -102.638 -214.472 61.866 143.848 30.8573 -59.4152 PRESSAVG: 2176200 44.7091 -58.8505 12.3311 -58.8505 -29.0704 -10.3522 12.3311 -10.3522 -22.9903 GPRESSAVG: 2176200 44.709 -57.7311 10.7556 -56.2278 -29.0056 -10.7051 12.4282 -9.69163 -23.2976 TIMING: 2176200 CPU: 6949.39, 0.00315898/step Wall: 6949.39, 0.00315898/step, 2.47787 hours remaining, 240.296875 MB of memory in use. ENERGY: 2176200 3959.9362 20427.2254 14434.1266 248.0378 -203086.6729 2457.4814 0.0000 0.0000 52425.5023 -109134.3633 301.2901 -161559.8656 -108765.6366 299.4553 -164.2968 -142.0382 761760.3263 -2.4505 -2.5314 LDB: ============= START OF LOAD BALANCING ============== 6961.84 LDB: ============== END OF LOAD BALANCING =============== 6961.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6961.84 LDB: ============= START OF LOAD BALANCING ============== 6962.16 LDB: Largest compute 7026 load 0.034737 is 17.8% of average load 0.195178 LDB: Average compute 0.004389 is 2.2% of average load 0.195178 LDB: TIME 6962.16 LOAD: AVG 0.195178 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 6962.16 LOAD: AVG 0.195178 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 6962.16 LOAD: AVG 0.195178 MAX 0.214038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 6962.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6962.17 PRESSURE: 2176400 -246.332 83.3631 -124.878 83.3619 2.92926 -86.4692 -124.879 -86.4687 311.253 GPRESSURE: 2176400 -248.856 124.47 -69.7191 39.7423 76.7031 -147.38 -130.269 -114.312 325.338 PRESSAVG: 2176400 21.4033 18.8982 4.26429 18.8982 -27.2119 25.971 4.26426 25.9711 -4.07448 GPRESSAVG: 2176400 22.6521 21.5692 4.82318 17.9288 -28.6659 26.7001 3.42253 23.9559 -4.29674 TIMING: 2176400 CPU: 6950.03, 0.00324159/step Wall: 6950.03, 0.00324159/step, 2.54249 hours remaining, 240.406250 MB of memory in use. ENERGY: 2176400 4000.9217 20553.2140 14512.0289 263.0672 -203179.9523 2706.2348 0.0000 0.0000 52103.2105 -109041.2752 299.4379 -161144.4857 -108679.6656 300.4482 22.6166 51.0614 761359.9172 -3.2943 -3.4368 PRESSURE: 2176600 -48.6216 -235.259 -2.37843 -235.259 -221.552 -342.948 -2.37846 -342.947 -233.766 GPRESSURE: 2176600 6.95201 -189.765 47.9093 -156.913 -205.369 -326.197 -56.2685 -235.762 -195.929 PRESSAVG: 2176600 44.2979 22.6586 -63.443 22.6585 -23.643 -61.7296 -63.443 -61.7296 12.6505 GPRESSAVG: 2176600 43.4027 21.0092 -63.0728 21.9996 -22.2828 -61.5932 -63.2692 -59.6099 11.9308 TIMING: 2176600 CPU: 6950.67, 0.00316551/step Wall: 6950.67, 0.00316551/step, 2.48264 hours remaining, 240.609375 MB of memory in use. ENERGY: 2176600 3940.3143 20662.1709 14523.5659 234.9395 -203068.4023 2524.7375 0.0000 0.0000 51959.0865 -109223.5877 298.6096 -161182.6742 -108865.1840 299.7617 -167.9797 -131.4487 761899.7839 11.1018 11.0169 PRESSURE: 2176800 -88.2383 34.812 -145.746 34.8127 -312.301 28.9953 -145.746 28.9945 -33.5476 GPRESSURE: 2176800 18.5698 15.2302 -89.4616 57.7328 -316.464 46.0784 -154.654 -51.0234 -48.8719 PRESSAVG: 2176800 -23.9531 -7.40167 12.5621 -7.40165 11.786 -14.2606 12.5621 -14.2606 -36.5526 GPRESSAVG: 2176800 -23.9581 -8.71192 10.132 -7.53464 10.9538 -14.0798 13.8283 -15.8147 -36.144 TIMING: 2176800 CPU: 6951.3, 0.0031706/step Wall: 6951.3, 0.0031706/step, 2.48646 hours remaining, 240.609375 MB of memory in use. ENERGY: 2176800 4024.5542 20525.8445 14518.8000 246.4482 -202894.0358 2350.1545 0.0000 0.0000 52060.0147 -109168.2196 299.1896 -161228.2344 -108794.1623 299.5638 -144.6957 -115.5888 760874.1145 -16.2399 -16.3828 PRESSURE: 2177000 -70.2348 -257.452 45.6824 -257.453 -137.27 -34.8386 45.6832 -34.8383 -20.3816 GPRESSURE: 2177000 -46.4 -227.832 16.5923 -189.661 -86.6303 -7.88157 2.25724 -33.9155 -3.73136 PRESSAVG: 2177000 11.0636 -46.8369 -16.5285 -46.8369 -19.5616 6.04003 -16.5286 6.03995 13.8182 GPRESSAVG: 2177000 11.4076 -45.3104 -14.7707 -48.1515 -20.8961 3.99394 -16.7258 6.04505 14.741 TIMING: 2177000 CPU: 6951.93, 0.00316721/step Wall: 6951.93, 0.00316721/step, 2.48362 hours remaining, 240.609375 MB of memory in use. ENERGY: 2177000 4054.5465 20586.9972 14502.6996 257.5340 -203298.1115 2660.4455 0.0000 0.0000 52306.6327 -108929.2560 300.6069 -161235.8887 -108562.3817 299.9160 -75.9621 -45.5872 760610.5992 1.7734 1.7508 PRESSURE: 2177200 -124.645 -178.998 158.784 -178.998 141.984 -48.5243 158.783 -48.5237 -296.855 GPRESSURE: 2177200 -116.678 -291.832 172.365 -95.7963 132.645 -129.895 13.4111 -35.3107 -220.908 PRESSAVG: 2177200 -14.4406 -57.1171 -5.41053 -57.117 16.2947 -16.3728 -5.41066 -16.3728 -6.21442 GPRESSAVG: 2177200 -16.7198 -59.7273 -7.23463 -53.5569 19.6461 -15.2971 -5.76342 -17.0151 -8.07532 TIMING: 2177200 CPU: 6952.57, 0.00315881/step Wall: 6952.57, 0.00315881/step, 2.47686 hours remaining, 240.609375 MB of memory in use. ENERGY: 2177200 3986.2953 20683.5536 14602.7511 249.1234 -203024.7095 2372.6258 0.0000 0.0000 52207.9426 -108922.4175 300.0398 -161130.3602 -108556.5454 300.2036 -93.1719 -68.3139 759760.8452 -1.4534 -1.7163 PRESSURE: 2177400 88.1368 -150.121 200.78 -150.121 4.23143 -53.3074 200.78 -53.3064 107.861 GPRESSURE: 2177400 208.096 -106.606 201.742 -155.199 27.194 31.733 104.593 -104.226 40.2496 PRESSAVG: 2177400 27.8425 -11.2133 -14.0114 -11.2134 10.8663 -7.53765 -14.0114 -7.53771 9.54714 GPRESSAVG: 2177400 29.4495 -9.02604 -13.5009 -12.9551 9.35444 -6.29645 -13.3403 -8.9316 10.0389 TIMING: 2177400 CPU: 6953.21, 0.00321362/step Wall: 6953.21, 0.00321362/step, 2.51966 hours remaining, 240.609375 MB of memory in use. ENERGY: 2177400 4073.2620 20702.0273 14465.7782 251.4349 -203073.5982 2614.1811 0.0000 0.0000 52197.7865 -108769.1283 299.9814 -160966.9147 -108408.1006 300.3586 66.7429 91.8466 762315.1158 16.0853 16.2809 PRESSURE: 2177600 -21.2829 113.318 51.6113 113.317 -52.0516 -70.6865 51.6119 -70.6872 -535.53 GPRESSURE: 2177600 -78.3602 -40.8041 10.052 212.364 84.8965 -84.858 68.4285 31.8465 -520.961 PRESSAVG: 2177600 6.3189 3.15714 64.5534 3.15708 43.1636 -30.8273 64.5533 -30.8273 15.6087 GPRESSAVG: 2177600 5.48031 1.51241 65.0565 3.15665 43.5649 -33.0831 66.5718 -27.9856 17.2331 TIMING: 2177600 CPU: 6953.85, 0.00321098/step Wall: 6953.85, 0.00321098/step, 2.51741 hours remaining, 240.609375 MB of memory in use. ENERGY: 2177600 3972.1867 20505.8486 14458.8595 242.6463 -203083.5406 2473.1551 0.0000 0.0000 52308.3661 -109122.4784 300.6169 -161430.8445 -108747.2649 300.3717 -202.9548 -171.4750 762687.7487 21.6971 22.0928 PRESSURE: 2177800 223.345 -198.038 -9.01477 -198.039 268.645 0.28239 -9.01506 0.281583 -102.032 GPRESSURE: 2177800 276.872 -246.93 -51.9513 -238.271 246.975 -2.10737 108.393 14.7918 -34.553 PRESSAVG: 2177800 -0.529139 -32.8263 52.4436 -32.8262 -19.9247 -28.3341 52.4435 -28.3341 -5.63619 GPRESSAVG: 2177800 -0.381544 -31.9005 52.2913 -32.3756 -20.0107 -27.1485 50.2692 -30.1607 -5.8844 TIMING: 2177800 CPU: 6954.49, 0.00318667/step Wall: 6954.49, 0.00318667/step, 2.49817 hours remaining, 240.609375 MB of memory in use. ENERGY: 2177800 3992.5346 20562.0662 14471.2282 276.7497 -203125.4358 2621.0753 0.0000 0.0000 52005.0021 -109196.7797 298.8735 -161201.7818 -108841.5511 299.9074 129.9860 163.0980 760444.9012 -8.6967 -8.7589 PRESSURE: 2178000 -89.7037 27.7605 -15.0623 27.7599 322.281 -187.718 -15.0624 -187.718 305.414 GPRESSURE: 2178000 -37.6999 57.3853 -66.2346 41.1299 328.949 -163.321 75.2626 -126.309 328.506 PRESSAVG: 2178000 -5.59347 -66.7883 -31.8625 -66.7882 38.3266 -37.9183 -31.8625 -37.9182 -4.8985 GPRESSAVG: 2178000 -5.69534 -66.7971 -31.598 -66.2794 38.7134 -38.8874 -31.559 -37.8187 -5.30819 TIMING: 2178000 CPU: 6955.13, 0.00318728/step Wall: 6955.13, 0.00318728/step, 2.49847 hours remaining, 240.609375 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: 2178000 3942.9041 20562.9306 14515.8753 239.8260 -203603.0127 3029.6780 0.0000 0.0000 52222.2913 -109089.5075 300.1222 -161311.7987 -108730.5699 299.4925 179.3304 206.5851 760911.0545 9.2782 9.2366 PRESSURE: 2178200 109.026 -89.7248 114.129 -89.7248 -172.69 -93.2095 114.128 -93.2099 49.9991 GPRESSURE: 2178200 82.3475 17.8077 43.826 -20.4188 -82.5312 -129.79 123.029 -51.6908 60.087 PRESSAVG: 2178200 -1.78329 39.8264 5.58965 39.8264 47.1596 -51.6483 5.5896 -51.6483 4.6904 GPRESSAVG: 2178200 -1.86486 40.7095 6.45664 40.3217 47.293 -50.5304 4.85384 -50.7689 4.90826 TIMING: 2178200 CPU: 6955.76, 0.00316678/step Wall: 6955.76, 0.00316678/step, 2.48223 hours remaining, 240.609375 MB of memory in use. ENERGY: 2178200 3942.5188 20553.6671 14510.7320 241.2806 -203194.8976 2552.7835 0.0000 0.0000 52264.1621 -109129.7535 300.3629 -161393.9155 -108763.0991 299.7245 -4.5547 19.9678 761978.2797 16.6889 16.7788 PRESSURE: 2178400 -310.064 -114.845 98.0475 -114.845 -93.5639 -154.883 98.048 -154.883 95.8425 GPRESSURE: 2178400 -155.493 -105.777 45.3318 -94.1925 -131.852 -159.706 131.845 -116.533 74.6486 PRESSAVG: 2178400 -5.24546 -19.8894 -20.5218 -19.8894 20.3416 -15.3505 -20.5218 -15.3504 31.8789 GPRESSAVG: 2178400 -5.41643 -20.4238 -20.587 -20.3021 21.3108 -15.4288 -18.8006 -16.5918 31.4498 TIMING: 2178400 CPU: 6956.39, 0.00315266/step Wall: 6956.39, 0.00315266/step, 2.47099 hours remaining, 240.609375 MB of memory in use. ENERGY: 2178400 3985.0926 20440.9664 14468.6219 270.6563 -203044.1015 2335.0379 0.0000 0.0000 52295.1725 -109248.5539 300.5411 -161543.7263 -108882.6652 299.6451 -102.5951 -70.8987 762362.0108 15.6583 15.7814 PRESSURE: 2178600 -375.123 -63.5457 6.68212 -63.5453 -68.3442 -52.8292 6.68233 -52.8296 -64.6195 GPRESSURE: 2178600 -448.544 22.6227 92.5314 -117.161 -45.2012 -55.0126 11.6395 -179.331 59.2277 PRESSAVG: 2178600 -42.8747 -22.1589 -40.2837 -22.1589 1.11145 6.95032 -40.2837 6.95028 -8.37101 GPRESSAVG: 2178600 -42.0374 -23.2505 -38.8282 -22.3244 0.123751 7.36111 -42.5464 7.79738 -8.40358 TIMING: 2178600 CPU: 6957.02, 0.00316785/step Wall: 6957.02, 0.00316785/step, 2.48271 hours remaining, 240.609375 MB of memory in use. ENERGY: 2178600 3933.4074 20536.5147 14502.9098 255.8592 -202714.8538 2194.9412 0.0000 0.0000 51850.9688 -109440.2527 297.9882 -161291.2215 -109074.2766 299.4062 -169.3623 -144.8390 762634.2771 -16.7114 -16.7724 PRESSURE: 2178800 114.824 -19.7783 -76.0315 -19.7772 150.364 90.3578 -76.0319 90.358 -2.38299 GPRESSURE: 2178800 145.185 -111.238 -33.9898 -93.392 221.685 179.879 -109.637 -46.8998 1.62939 PRESSAVG: 2178800 -83.9185 -17.2825 -21.9774 -17.2826 82.2336 -14.5585 -21.9775 -14.5585 34.0139 GPRESSAVG: 2178800 -82.4354 -16.135 -21.7008 -19.5962 81.2241 -14.4363 -20.0797 -15.6126 33.6823 TIMING: 2178800 CPU: 6957.65, 0.00314926/step Wall: 6957.65, 0.00314926/step, 2.46797 hours remaining, 240.609375 MB of memory in use. ENERGY: 2178800 3949.0712 20578.6398 14399.8164 248.6843 -203098.9312 2453.7540 0.0000 0.0000 51957.9104 -109511.0551 298.6028 -161468.9655 -109150.2381 298.6844 87.6017 122.8329 762452.5107 10.7763 10.8236 PRESSURE: 2179000 158.985 50.3893 98.3519 50.3897 424.571 133.309 98.3517 133.309 205.464 GPRESSURE: 2179000 227.4 62.8109 205.845 127.583 395.013 169.612 74.033 112.519 244.298 PRESSAVG: 2179000 -18.0947 -53.6597 38.2533 -53.6598 -4.83155 -22.78 38.2533 -22.78 -14.9979 GPRESSAVG: 2179000 -18.3916 -52.4143 37.3451 -50.1092 -5.07482 -24.7928 36.4805 -21.894 -14.8668 TIMING: 2179000 CPU: 6958.29, 0.00316996/step Wall: 6958.29, 0.00316996/step, 2.48402 hours remaining, 240.609375 MB of memory in use. ENERGY: 2179000 3984.0468 20555.4986 14459.1547 238.8128 -203527.1790 2385.9464 0.0000 0.0000 52257.9009 -109645.8188 300.3269 -161903.7196 -109278.2623 298.8888 263.0069 288.9036 760739.1819 -12.6414 -12.7777 PRESSURE: 2179200 108.308 86.0826 75.8302 86.0823 -98.0106 49.5426 75.8293 49.5422 -131.996 GPRESSURE: 2179200 81.7769 147.044 57.3608 30.2576 -12.3872 39.8694 130.101 189.156 -120.479 PRESSAVG: 2179200 52.808 14.9919 23.1253 14.9919 -12.5473 -43.2923 23.1253 -43.2922 -13.0043 GPRESSAVG: 2179200 50.9579 15.4168 22.505 14.2311 -11.5473 -43.0606 25.3602 -43.2436 -12.7717 TIMING: 2179200 CPU: 6958.92, 0.00317615/step Wall: 6958.92, 0.00317615/step, 2.48869 hours remaining, 240.609375 MB of memory in use. ENERGY: 2179200 4029.4091 20565.6596 14401.9197 246.0069 -203421.7277 2685.1460 0.0000 0.0000 51901.5893 -109591.9971 298.2791 -161493.5864 -109229.0830 298.8856 -40.5665 -17.0299 761862.6767 9.0855 8.8797 PRESSURE: 2179400 -410.578 -57.6202 208.957 -57.6196 -291.078 -51.9969 208.957 -51.9975 257.622 GPRESSURE: 2179400 -342.35 -23.0403 91.9431 -105.796 -209.385 -25.0882 234.891 -135.89 183.963 PRESSAVG: 2179400 -11.3933 -42.4001 -0.787394 -42.4001 -38.5118 -54.3036 -0.78734 -54.3037 -2.95184 GPRESSAVG: 2179400 -12.1202 -42.9912 -0.79539 -46.4029 -37.425 -52.7224 -1.84157 -54.0802 -2.95412 TIMING: 2179400 CPU: 6959.55, 0.00315404/step Wall: 6959.55, 0.00315404/step, 2.47119 hours remaining, 240.609375 MB of memory in use. ENERGY: 2179400 3998.8162 20645.6104 14454.6578 262.8019 -203706.0712 2841.9934 0.0000 0.0000 52019.2779 -109482.9136 298.9555 -161502.1915 -109112.6105 299.0266 -148.0110 -122.5909 762133.5363 -17.6190 -17.4998 PRESSURE: 2179600 -91.8857 -177.542 -123.765 -177.543 -110.984 -84.9649 -123.765 -84.9656 307.057 GPRESSURE: 2179600 -86.2571 -266.88 -146.107 -193.668 -66.9988 -111.308 -128.045 -161.997 336.566 PRESSAVG: 2179600 28.9583 -41.9438 -36.0036 -41.9439 -63.6951 -49.5904 -36.0036 -49.5904 12.351 GPRESSAVG: 2179600 30.5825 -42.291 -36.1482 -39.3678 -65.8174 -49.6128 -37.4354 -51.0394 12.8628 TIMING: 2179600 CPU: 6960.18, 0.0031583/step Wall: 6960.18, 0.0031583/step, 2.47435 hours remaining, 240.609375 MB of memory in use. ENERGY: 2179600 4010.8789 20461.9611 14458.6509 250.3731 -203774.5264 2689.8810 0.0000 0.0000 52220.8844 -109681.8970 300.1141 -161902.7814 -109315.2846 299.1439 34.7291 61.1034 760660.1458 -7.4619 -7.4574 PRESSURE: 2179800 146.31 -250.641 -0.31595 -250.64 -246.735 -19.9199 -0.315274 -19.9205 -21.8552 GPRESSURE: 2179800 178.026 -102.364 -5.63253 -177.914 -116.185 -53.3256 1.12742 55.3439 -73.0243 PRESSAVG: 2179800 64.2553 -10.0245 -28.9772 -10.0246 -66.3795 -1.76203 -28.9772 -1.762 -23.0645 GPRESSAVG: 2179800 64.0772 -10.6648 -28.9855 -7.89797 -66.2318 -3.78945 -27.1137 1.01533 -22.6412 TIMING: 2179800 CPU: 6960.82, 0.00316231/step Wall: 6960.82, 0.00316231/step, 2.47732 hours remaining, 240.609375 MB of memory in use. ENERGY: 2179800 4034.4498 20625.5614 14463.7286 236.4688 -203863.9145 2883.4980 0.0000 0.0000 51978.2340 -109641.9738 298.7196 -161620.2079 -109271.6531 299.4112 -40.7602 -3.7277 761779.5216 -8.3962 -8.2653 PRESSURE: 2180000 202.028 -72.3669 271.652 -72.3662 51.9167 -67.2046 271.652 -67.2046 -30.0205 GPRESSURE: 2180000 108.074 -20.3315 293.845 -88.1713 127.218 -110.517 163.067 -24.8085 45.4713 PRESSAVG: 2180000 26.1499 -19.7316 -52.4519 -19.7315 -39.3488 7.81502 -52.4519 7.81499 7.6159 GPRESSAVG: 2180000 25.6209 -16.58 -53.1867 -23.9377 -38.7907 9.35346 -54.9353 5.39837 7.60696 TIMING: 2180000 CPU: 6961.45, 0.00316203/step Wall: 6961.45, 0.00316203/step, 2.47692 hours remaining, 240.609375 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: 2180000 4021.1159 20597.9150 14546.9444 241.3885 -203452.3999 2500.0624 0.0000 0.0000 52047.1248 -109497.8491 299.1155 -161544.9738 -109141.4647 299.2516 74.6414 93.5879 760429.7327 -1.8610 -1.8543 PRESSURE: 2180200 -55.669 -260.286 -77.1649 -260.286 175.297 -41.3615 -77.1648 -41.3619 86.1334 GPRESSURE: 2180200 -20.9399 -260.193 -31.583 -150.996 198.93 -12.3591 -164.351 66.1188 106.302 PRESSAVG: 2180200 -23.4412 -36.0044 -12.438 -36.0044 -9.74014 -19.8293 -12.438 -19.8294 -2.66358 GPRESSAVG: 2180200 -22.6415 -39.3252 -11.4773 -31.2945 -9.57031 -18.5289 -10.1308 -18.0512 -3.93954 TIMING: 2180200 CPU: 6962.08, 0.00315934/step Wall: 6962.08, 0.00315934/step, 2.47464 hours remaining, 240.609375 MB of memory in use. ENERGY: 2180200 3945.6744 20631.5554 14500.0342 262.7920 -203265.2752 2394.3482 0.0000 0.0000 52046.5036 -109484.3674 299.1120 -161530.8710 -109125.1950 299.7980 68.5870 94.7642 761110.4445 -11.9483 -12.0504 LDB: ============= START OF LOAD BALANCING ============== 6974.53 LDB: ============== END OF LOAD BALANCING =============== 6974.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6974.53 LDB: ============= START OF LOAD BALANCING ============== 6974.85 LDB: Largest compute 7071 load 0.035255 is 18.1% of average load 0.195194 LDB: Average compute 0.004371 is 2.2% of average load 0.195194 LDB: TIME 6974.85 LOAD: AVG 0.195194 MAX 0.218581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 6974.85 LOAD: AVG 0.195194 MAX 0.218581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.191 MB LDB: TIME 6974.85 LOAD: AVG 0.195194 MAX 0.215723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.191 MB LDB: ============== END OF LOAD BALANCING =============== 6974.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6974.86 PRESSURE: 2180400 -147.424 84.8794 -303.684 84.8798 -62.0137 26.4216 -303.682 26.4219 -121.958 GPRESSURE: 2180400 -134.65 39.6113 -307.091 -0.566775 -56.1173 42.7181 -255.413 -13.7435 -49.8014 PRESSAVG: 2180400 4.79621 -40.7517 9.77507 -40.7516 -37.0925 21.986 9.77508 21.9861 5.16874 GPRESSAVG: 2180400 5.16897 -39.5516 9.38199 -43.711 -37.6848 21.7628 9.68503 19.077 5.47508 TIMING: 2180400 CPU: 6962.73, 0.003221/step Wall: 6962.73, 0.003221/step, 2.52276 hours remaining, 241.578125 MB of memory in use. ENERGY: 2180400 3967.0397 20459.5789 14430.6888 240.2361 -203316.9012 2490.0746 0.0000 0.0000 52114.0568 -109615.2262 299.5002 -161729.2831 -109248.9060 299.0102 -110.4654 -80.1895 762506.5180 -9.0425 -9.0136 PRESSURE: 2180600 3.55985 -135.048 -214.564 -135.048 83.945 -198.079 -214.563 -198.078 28.8044 GPRESSURE: 2180600 68.3326 18.6258 -199.115 -187.792 68.0086 -163.028 -271.814 -164.548 55.8137 PRESSAVG: 2180600 5.97405 -94.2105 -22.3063 -94.2105 -20.1233 6.47814 -22.3062 6.47815 11.5169 GPRESSAVG: 2180600 5.34426 -92.7586 -22.2124 -93.2516 -20.1232 4.77329 -21.7399 8.39823 12.498 TIMING: 2180600 CPU: 6963.35, 0.00313002/step Wall: 6963.35, 0.00313002/step, 2.45133 hours remaining, 241.781250 MB of memory in use. ENERGY: 2180600 3970.8341 20411.4472 14467.6405 226.8697 -203363.5490 2582.5436 0.0000 0.0000 52134.2089 -109570.0050 299.6160 -161704.2140 -109206.6302 298.8623 38.7697 64.0516 761233.5926 -0.8775 -0.7603 PRESSURE: 2180800 -291.497 281.034 51.5621 281.035 170.323 -296.93 51.5614 -296.93 -43.5266 GPRESSURE: 2180800 -230.672 283.912 31.7714 110.456 216.878 -194.823 59.706 -158.827 -70.0627 PRESSAVG: 2180800 -43.9519 -1.73015 -27.0388 -1.73016 36.6982 -72.4448 -27.0388 -72.4449 8.8088 GPRESSAVG: 2180800 -43.5557 -3.01558 -27.8887 -2.996 36.2153 -71.449 -28.045 -69.8553 8.94347 TIMING: 2180800 CPU: 6963.98, 0.00315183/step Wall: 6963.98, 0.00315183/step, 2.46823 hours remaining, 241.781250 MB of memory in use. ENERGY: 2180800 4010.9746 20519.0839 14489.7517 257.1279 -203667.0609 2633.6382 0.0000 0.0000 52139.4335 -109617.0510 299.6460 -161756.4845 -109253.0077 298.7662 -54.9001 -27.9522 761392.6608 0.5184 0.5344 PRESSURE: 2181000 66.5742 -203.685 -163.058 -203.686 -332.686 -70.3888 -163.057 -70.3883 -261.279 GPRESSURE: 2181000 -103.127 -148.703 -132.185 -181.565 -181.824 -45.0559 -166.025 -155.736 -168.313 PRESSAVG: 2181000 -23.9127 -44.9318 -68.191 -44.9319 26.9187 -42.9956 -68.191 -42.9956 39.6716 GPRESSAVG: 2181000 -24.3634 -44.7407 -66.5578 -44.1952 27.5077 -43.6721 -69.4721 -46.1854 39.825 TIMING: 2181000 CPU: 6964.62, 0.00317249/step Wall: 6964.62, 0.00317249/step, 2.48424 hours remaining, 241.781250 MB of memory in use. ENERGY: 2181000 3963.2024 20481.5019 14443.7160 257.6592 -203343.7266 2417.0684 0.0000 0.0000 52202.7188 -109577.8599 300.0097 -161780.5787 -109197.6275 299.2672 -175.7971 -151.0883 760480.7037 14.2259 14.3231 PRESSURE: 2181200 159.656 -188.141 -152.534 -188.14 -24.0432 -69.4443 -152.535 -69.4438 -431.271 GPRESSURE: 2181200 167.358 -194.136 -14.3673 -194.696 8.56037 2.86282 -154.506 0.161757 -390.615 PRESSAVG: 2181200 2.07729 -35.5353 11.4502 -35.5353 -24.4507 12.0059 11.4502 12.0059 -2.78418 GPRESSAVG: 2181200 1.16248 -37.5458 12.2659 -34.3416 -23.8893 11.578 12.9476 14.8751 -2.64897 TIMING: 2181200 CPU: 6965.24, 0.00314197/step Wall: 6965.24, 0.00314197/step, 2.46016 hours remaining, 241.781250 MB of memory in use. ENERGY: 2181200 3953.4608 20512.2671 14491.1937 248.3197 -204016.6112 2987.0332 0.0000 0.0000 51940.7757 -109883.5610 298.5044 -161824.3367 -109521.4474 299.2086 -98.5528 -71.5656 761064.4086 -8.3859 -8.4586 PRESSURE: 2181400 -319.048 56.3619 111.361 56.3613 -93.7261 136.491 111.361 136.491 -490.709 GPRESSURE: 2181400 -253.493 73.9993 46.1797 77.8836 -139.726 79.0309 136.843 52.0602 -418.787 PRESSAVG: 2181400 -60.597 -1.48507 27.1774 -1.4851 -8.80344 24.4713 27.1775 24.4714 -0.849824 GPRESSAVG: 2181400 -59.7543 -0.608693 24.14 -2.87558 -8.30718 24.2303 26.3277 22.0477 -1.99037 TIMING: 2181400 CPU: 6965.88, 0.00316362/step Wall: 6965.88, 0.00316361/step, 2.47693 hours remaining, 241.781250 MB of memory in use. ENERGY: 2181400 4033.7594 20302.9701 14523.7129 235.6305 -203444.8766 2430.7264 0.0000 0.0000 51936.6562 -109981.4213 298.4807 -161918.0774 -109632.3285 298.2211 -301.1610 -270.6686 762545.6401 -23.4168 -23.3506 PRESSURE: 2181600 156.295 -23.2572 -134.542 -23.2574 -90.1494 -50.6311 -134.541 -50.6312 83.3122 GPRESSURE: 2181600 243.788 16.5793 -112.167 -137.369 -81.7983 11.0676 -176.693 32.1308 75.1342 PRESSAVG: 2181600 -23.3507 18.2543 -36.3092 18.2544 20.989 35.9093 -36.3092 35.9093 13.1896 GPRESSAVG: 2181600 -23.0157 18.1612 -34.5255 18.9482 20.1663 35.9313 -36.8152 36.0143 13.4433 TIMING: 2181600 CPU: 6966.51, 0.00316592/step Wall: 6966.51, 0.00316592/step, 2.47857 hours remaining, 241.781250 MB of memory in use. ENERGY: 2181600 3996.4127 20456.8940 14619.3040 255.5785 -203592.7315 2540.2242 0.0000 0.0000 51841.5517 -109882.7664 297.9341 -161724.3181 -109523.5014 298.2962 49.8194 79.0414 760299.3075 3.6093 3.5313 PRESSURE: 2181800 -27.5487 34.1227 29.9418 34.1225 -218.971 25.9754 29.9425 25.9758 -38.3194 GPRESSURE: 2181800 21.0029 25.4328 90.2898 26.7547 -119.561 -0.992585 106.981 95.6745 -108.923 PRESSAVG: 2181800 -17.6354 -22.2962 48.287 -22.2962 4.54186 -10.1603 48.2869 -10.1603 -19.5477 GPRESSAVG: 2181800 -17.9515 -19.6522 47.1368 -23.4851 5.54655 -9.26898 48.6429 -9.53863 -20.0769 TIMING: 2181800 CPU: 6967.15, 0.0031714/step Wall: 6967.15, 0.0031714/step, 2.48268 hours remaining, 241.781250 MB of memory in use. ENERGY: 2181800 3977.7547 20526.2323 14479.4981 237.2407 -203292.3638 2603.5199 0.0000 0.0000 51831.4222 -109636.6958 297.8759 -161468.1180 -109280.8255 298.7185 -94.9464 -69.1604 759997.6616 -10.8804 -10.8273 PRESSURE: 2182000 -495.889 237.174 -101.004 237.174 -14.6196 -164.287 -101.003 -164.288 87.4521 GPRESSURE: 2182000 -401.504 268.111 -76.6919 137.238 -67.881 -137.113 -80.1442 -256.445 126.015 PRESSAVG: 2182000 7.10928 54.4481 -37.3308 54.448 -20.3071 13.6755 -37.3308 13.6755 -16.0793 GPRESSAVG: 2182000 8.09963 54.7342 -35.8548 52.4535 -20.8049 12.9679 -37.8416 13.4764 -16.6856 TIMING: 2182000 CPU: 6967.78, 0.00318707/step Wall: 6967.78, 0.00318707/step, 2.49477 hours remaining, 241.781250 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: 2182000 4074.3026 20529.8222 14482.5529 244.0902 -203557.7335 2671.4600 0.0000 0.0000 52133.8519 -109421.6537 299.6140 -161555.5057 -109052.5649 299.2738 -141.0189 -114.4568 762566.3592 -9.7591 -9.7970 PRESSURE: 2182200 4.29956 -56.4144 120.205 -56.4141 -173.6 262.954 120.205 262.954 -83.8728 GPRESSURE: 2182200 -20.9765 -91.6605 150.562 -269.047 -48.4292 249.816 268.258 315.491 -96.1852 PRESSAVG: 2182200 24.0393 -31.4507 22.3553 -31.4507 -55.9512 11.7606 22.3553 11.7607 28.154 GPRESSAVG: 2182200 23.0515 -33.7573 21.9449 -29.4073 -55.8344 11.2893 22.472 11.9814 28.7217 TIMING: 2182200 CPU: 6968.42, 0.00318085/step Wall: 6968.42, 0.00318085/step, 2.48972 hours remaining, 241.781250 MB of memory in use. ENERGY: 2182200 3970.0392 20595.8253 14499.6701 257.7268 -203102.7616 2508.2300 0.0000 0.0000 51715.6340 -109555.6363 297.2105 -161271.2703 -109195.9170 299.4126 -84.3909 -55.1970 761129.2598 -1.2526 -1.3537 PRESSURE: 2182400 50.9313 45.3139 -64.9376 45.3134 153.064 178.735 -64.937 178.735 74.447 GPRESSURE: 2182400 94.9575 -115.432 -206.412 33.5551 106.751 164 14.0473 182.147 156.882 PRESSAVG: 2182400 11.7834 2.34647 12.6383 2.34639 48.438 31.7838 12.6382 31.7838 -31.7282 GPRESSAVG: 2182400 11.7529 2.69397 11.2444 1.0352 47.7285 31.2485 13.6042 32.3014 -31.5054 TIMING: 2182400 CPU: 6969.06, 0.00318988/step Wall: 6969.06, 0.00318988/step, 2.49661 hours remaining, 241.781250 MB of memory in use. ENERGY: 2182400 3949.0103 20531.4974 14419.9699 243.5678 -203524.5268 2673.3067 0.0000 0.0000 52093.7733 -109613.4012 299.3836 -161707.1745 -109244.1592 299.0198 92.8141 119.5300 760300.0015 9.4978 9.3254 PRESSURE: 2182600 146.179 160.546 58.2065 160.545 52.6521 -149.667 58.2072 -149.666 1.08171 GPRESSURE: 2182600 156.233 123.259 43.6458 92.5716 -26.3428 -115.759 2.67671 -117.008 146.93 PRESSAVG: 2182600 68.7655 -7.98536 -5.0822 -7.98529 -34.8618 11.6684 -5.08224 11.6684 -4.69351 GPRESSAVG: 2182600 68.6248 -7.49959 -5.21458 -6.69683 -35.4349 12.4637 -5.97959 11.9305 -3.66787 TIMING: 2182600 CPU: 6969.69, 0.00318195/step Wall: 6969.69, 0.00318195/step, 2.49023 hours remaining, 241.781250 MB of memory in use. ENERGY: 2182600 4018.5626 20524.8486 14397.5042 225.5647 -203755.9225 2894.5216 0.0000 0.0000 52075.5516 -109619.3692 299.2789 -161694.9208 -109255.3342 299.4156 66.6378 92.2734 763454.5832 9.7367 9.8407 PRESSURE: 2182800 -62.5005 92.0635 40.2121 92.0624 -150.618 -76.2132 40.2124 -76.2132 -288.652 GPRESSURE: 2182800 -150.394 116.006 92.0296 63.3668 -89.2513 -39.6279 141.742 59.1915 -176.02 PRESSAVG: 2182800 -28.4414 47.4506 -10.074 47.4506 -13.8972 7.28197 -10.074 7.28193 13.0016 GPRESSAVG: 2182800 -27.8732 47.0795 -10.334 46.6726 -14.1992 8.67522 -11.042 5.87627 12.4993 TIMING: 2182800 CPU: 6970.32, 0.00314991/step Wall: 6970.32, 0.00314991/step, 2.46498 hours remaining, 241.781250 MB of memory in use. ENERGY: 2182800 4086.4770 20456.6861 14492.9222 262.8515 -203141.5047 2405.1106 0.0000 0.0000 51826.0396 -109611.4177 297.8450 -161437.4573 -109249.8969 298.7890 -167.2567 -138.5553 762376.8554 -9.7790 -9.8577 PRESSURE: 2183000 -106.107 -37.8395 -129.513 -37.8385 51.6016 -143.914 -129.513 -143.914 -138.9 GPRESSURE: 2183000 -0.0174987 -110.056 -206.481 -10.8943 -7.9122 -101.631 -57.2511 -117.422 -117.758 PRESSAVG: 2183000 28.0333 -21.6574 -6.95345 -21.6575 -32.602 14.2272 -6.95343 14.2271 -3.62057 GPRESSAVG: 2183000 28.3079 -19.2136 -7.49481 -22.8332 -32.5715 11.8477 -7.0881 19.2694 -3.76053 TIMING: 2183000 CPU: 6970.96, 0.00317792/step Wall: 6970.96, 0.00317792/step, 2.48672 hours remaining, 241.781250 MB of memory in use. ENERGY: 2183000 3991.7733 20468.1440 14496.0341 245.3778 -203709.0154 2790.8193 0.0000 0.0000 51995.3178 -109721.5489 298.8178 -161716.8668 -109358.2592 298.8614 -64.4686 -41.8959 761962.0982 -2.7298 -2.6747 PRESSURE: 2183200 -114.538 -136.408 46.6413 -136.408 -129.404 -138.009 46.64 -138.009 201.586 GPRESSURE: 2183200 -103.056 -76.9542 86.8385 -178.394 -31.0166 -68.463 -40.303 -60.7909 193.327 PRESSAVG: 2183200 15.1614 -6.83446 -0.947803 -6.83443 -19.1002 -27.5082 -0.947873 -27.5082 -10.3896 GPRESSAVG: 2183200 14.1129 -8.81824 -0.143168 -6.07621 -18.9047 -25.3595 -0.399717 -32.5065 -9.42806 TIMING: 2183200 CPU: 6971.59, 0.00316417/step Wall: 6971.59, 0.00316417/step, 2.47579 hours remaining, 241.781250 MB of memory in use. ENERGY: 2183200 4036.9449 20549.2980 14438.6443 246.0803 -203475.1699 2666.6548 0.0000 0.0000 51872.7587 -109664.7888 298.1135 -161537.5475 -109307.1394 298.9997 -14.1187 19.7515 760742.0110 -4.7761 -4.7400 PRESSURE: 2183400 -44.1017 -168.539 -201.423 -168.539 -131.12 -139.197 -201.424 -139.197 36.6409 GPRESSURE: 2183400 30.3153 -182.878 -275.946 -124.513 -129.036 -214.185 -250.979 -15.5732 45.0084 PRESSAVG: 2183400 38.2186 -24.4099 -11.3617 -24.4098 -26.3342 -36.8136 -11.3617 -36.8136 3.58627 GPRESSAVG: 2183400 38.9243 -23.2908 -10.0802 -24.0384 -25.3484 -37.2664 -13.6943 -34.2457 2.19802 TIMING: 2183400 CPU: 6972.22, 0.00314236/step Wall: 6972.22, 0.00314236/step, 2.45855 hours remaining, 241.781250 MB of memory in use. ENERGY: 2183400 4004.7021 20382.0527 14364.8393 249.1755 -203772.0314 2727.4086 0.0000 0.0000 52370.9497 -109672.9035 300.9766 -162043.8532 -109303.2166 298.7735 -46.1937 -17.9040 761129.7051 5.1569 5.2580 PRESSURE: 2183600 -193.844 -6.63518 106.666 -6.63354 -309.217 -56.1282 106.666 -56.1286 -205.288 GPRESSURE: 2183600 -151.536 -61.2762 44.2299 98.5805 -293.935 -53.3202 192.715 -116.635 -172.663 PRESSAVG: 2183600 18.0662 -60.952 -39.4126 -60.952 -29.3691 -14.5405 -39.4126 -14.5404 -10.4439 GPRESSAVG: 2183600 17.7494 -60.9073 -39.9088 -61.229 -28.733 -15.878 -36.0403 -15.7946 -10.745 TIMING: 2183600 CPU: 6972.85, 0.00314978/step Wall: 6972.85, 0.00314978/step, 2.46418 hours remaining, 241.781250 MB of memory in use. ENERGY: 2183600 4053.5173 20431.6563 14483.5434 242.5707 -203918.7721 2662.8863 0.0000 0.0000 52211.8447 -109832.7534 300.0622 -162044.5981 -109473.4651 299.0251 -236.1162 -206.0445 760697.2058 -7.2489 -7.2429 PRESSURE: 2183800 150.734 -61.6883 4.69478 -61.6894 242.753 -121.563 4.69424 -121.564 217.623 GPRESSURE: 2183800 222.721 44.0046 22.2316 -68.5861 194.066 -186.183 -164.067 -61.6434 277.917 PRESSAVG: 2183800 1.72472 -61.4796 -56.8251 -61.4797 -79.2846 -27.0341 -56.825 -27.034 -1.51019 GPRESSAVG: 2183800 1.71013 -61.8718 -57.6656 -61.4676 -80.3456 -25.8998 -56.6818 -27.8964 -0.497263 TIMING: 2183800 CPU: 6973.48, 0.00314882/step Wall: 6973.48, 0.00314882/step, 2.46325 hours remaining, 241.781250 MB of memory in use. ENERGY: 2183800 3944.4146 20559.7255 14479.6598 258.2576 -203974.3340 2982.2216 0.0000 0.0000 52147.7950 -109602.2599 299.6941 -161750.0550 -109244.4543 298.7680 203.7033 231.5679 759683.6476 -26.3567 -26.3776 PRESSURE: 2184000 33.3246 -108.314 -11.8873 -108.315 -120.33 -67.9902 -11.8876 -67.9896 -99.2381 GPRESSURE: 2184000 95.1059 -83.7921 8.43295 -21.7552 -163.279 37.2178 -14.065 93.7901 -49.4176 PRESSAVG: 2184000 64.1031 17.5961 -6.00764 17.5961 -64.4153 -18.4003 -6.00766 -18.4004 -15.7805 GPRESSAVG: 2184000 64.9506 19.3903 -4.48676 18.992 -65.392 -17.16 -6.90223 -17.515 -15.7912 TIMING: 2184000 CPU: 6974.11, 0.00315478/step Wall: 6974.11, 0.00315478/step, 2.46774 hours remaining, 241.781250 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: 2184000 3935.5190 20603.4956 14527.1534 250.9346 -202915.6289 2277.5139 0.0000 0.0000 51870.2189 -109450.7935 298.0989 -161321.0124 -109086.8539 299.2173 -62.0811 -39.1968 761863.4945 -5.3642 -5.4109 PRESSURE: 2184200 136.985 -140.323 69.73 -140.323 139.267 107.839 69.7297 107.838 10.3372 GPRESSURE: 2184200 215.059 -150.909 47.0839 -69.474 203.93 6.0286 58.7675 20.0461 -44.6788 PRESSAVG: 2184200 -6.33287 10.3822 -11.0578 10.3823 -18.4499 -12.0633 -11.0579 -12.0633 5.84336 GPRESSAVG: 2184200 -7.11475 9.82456 -13.0174 10.3695 -17.2788 -11.9039 -8.99258 -13.1776 5.41531 TIMING: 2184200 CPU: 6974.74, 0.00316407/step Wall: 6974.74, 0.00316407/step, 2.47483 hours remaining, 241.781250 MB of memory in use. ENERGY: 2184200 3928.6120 20479.7900 14469.3251 257.4947 -203176.4514 2582.0732 0.0000 0.0000 51834.8484 -109624.3081 297.8956 -161459.1565 -109262.7683 298.7684 95.5298 124.7700 761363.6257 -6.3131 -6.3261 LDB: ============= START OF LOAD BALANCING ============== 6987.2 LDB: ============== END OF LOAD BALANCING =============== 6987.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6987.2 LDB: ============= START OF LOAD BALANCING ============== 6987.52 LDB: Largest compute 7072 load 0.037612 is 19.3% of average load 0.195253 LDB: Average compute 0.004383 is 2.2% of average load 0.195253 LDB: TIME 6987.52 LOAD: AVG 0.195253 MAX 0.214034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.457 MB LDB: TIME 6987.52 LOAD: AVG 0.195253 MAX 0.214034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.457 MB LDB: TIME 6987.52 LOAD: AVG 0.195253 MAX 0.214034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.457 MB LDB: ============== END OF LOAD BALANCING =============== 6987.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6987.53 PRESSURE: 2184400 -115.544 -135.988 -212.321 -135.989 191.207 -324.275 -212.32 -324.276 -38.1058 GPRESSURE: 2184400 5.56924 -178.218 -179.76 -19.6736 62.9033 -401.337 -242.65 -213.5 62.866 PRESSAVG: 2184400 31.1798 -8.19777 -33.1305 -8.19778 -13.8116 -42.0401 -33.1305 -42.0401 29.3974 GPRESSAVG: 2184400 33.4819 -10.0668 -30.127 -8.65458 -15.8856 -44.0433 -35.7906 -42.4423 29.4685 TIMING: 2184400 CPU: 6975.39, 0.00324553/step Wall: 6975.39, 0.00324553/step, 2.53837 hours remaining, 239.457031 MB of memory in use. ENERGY: 2184400 4015.3224 20478.7161 14421.8519 232.4530 -203538.5750 2724.1173 0.0000 0.0000 51771.6595 -109894.4547 297.5324 -161666.1142 -109531.0796 298.3503 12.5190 43.7795 761710.0300 15.5885 15.6882 PRESSURE: 2184600 -694.78 -148.961 76.7874 -148.961 233.194 -133.267 76.788 -133.266 -233.281 GPRESSURE: 2184600 -583.523 -13.5855 46.978 -62.4981 181.018 -56.5681 39.0106 -69.5737 -208.797 PRESSAVG: 2184600 -63.4679 11.2649 -15.7501 11.2649 71.3998 0.0299139 -15.7501 0.0299754 -12.4279 GPRESSAVG: 2184600 -64.3397 12.5711 -18.8994 10.6445 72.4041 2.4591 -13.8333 0.552019 -12.5463 TIMING: 2184600 CPU: 6976.02, 0.00315674/step Wall: 6976.02, 0.00315674/step, 2.46875 hours remaining, 239.457031 MB of memory in use. ENERGY: 2184600 4043.5214 20403.4682 14422.8583 233.1323 -203524.3867 2554.1282 0.0000 0.0000 52065.5475 -109801.7308 299.2214 -161867.2783 -109449.5225 298.3939 -231.6223 -203.7672 760316.8766 -1.4987 -1.4940 PRESSURE: 2184800 -9.38619 57.1274 -175.322 57.1287 7.81435 109.177 -175.323 109.178 -141.811 GPRESSURE: 2184800 17.4682 -61.9292 -184.011 32.4113 50.0605 77.2383 -174.807 179.523 -130.435 PRESSAVG: 2184800 -11.3388 -35.6584 4.85557 -35.6584 79.0632 12.9744 4.85556 12.9745 -4.60831 GPRESSAVG: 2184800 -11.5598 -34.7184 7.07953 -35.9777 79.1649 11.2757 3.31451 13.7781 -4.39278 TIMING: 2184800 CPU: 6976.66, 0.00318196/step Wall: 6976.66, 0.00318196/step, 2.48829 hours remaining, 239.457031 MB of memory in use. ENERGY: 2184800 3928.1993 20505.1217 14461.8560 238.9633 -203509.4864 2701.6941 0.0000 0.0000 52006.7120 -109666.9399 298.8833 -161673.6519 -109300.6246 298.9632 -47.7944 -20.9686 762107.4234 21.0387 21.0708 PRESSURE: 2185000 62.7943 -99.742 -27.2547 -99.7424 -574.598 25.3609 -27.2539 25.3623 115.386 GPRESSURE: 2185000 78.2183 -22.4268 44.2046 -117.352 -492.374 81.5851 -74.9633 69.2203 95.45 PRESSAVG: 2185000 -16.957 8.0695 -66.581 8.06953 -15.1796 9.03083 -66.581 9.03083 32.0728 GPRESSAVG: 2185000 -18.0706 8.09122 -64.0939 9.13609 -13.9488 10.626 -66.2335 9.78668 31.7038 TIMING: 2185000 CPU: 6977.29, 0.00315892/step Wall: 6977.29, 0.00315892/step, 2.4701 hours remaining, 239.457031 MB of memory in use. ENERGY: 2185000 3910.5267 20520.0514 14475.0107 258.3798 -203492.7691 2635.3299 0.0000 0.0000 51839.0434 -109854.4272 297.9197 -161693.4707 -109494.6453 298.7410 -132.1391 -106.2354 762421.0678 -0.0212 -0.1052 PRESSURE: 2185200 50.4703 -102.252 -18.117 -102.251 -164.155 -204.48 -18.1164 -204.48 17.8389 GPRESSURE: 2185200 125.325 -163.878 56.8813 -144.03 -140.338 -173.042 -44.6136 -182.04 -11.7683 PRESSAVG: 2185200 -6.53741 -21.1793 -2.91423 -21.1793 12.6419 -3.36918 -2.91418 -3.36916 7.64807 GPRESSAVG: 2185200 -6.14052 -20.3392 -4.89513 -22.2858 11.7639 -4.98256 -3.01424 -2.74709 8.33572 TIMING: 2185200 CPU: 6977.92, 0.00315752/step Wall: 6977.92, 0.00315752/step, 2.46883 hours remaining, 239.457031 MB of memory in use. ENERGY: 2185200 3882.3783 20418.4412 14443.1605 240.8912 -203573.0370 2584.2379 0.0000 0.0000 52004.1034 -109999.8246 298.8683 -162003.9280 -109639.1206 298.3180 -31.9485 -8.9274 762225.4102 4.5842 4.6530 PRESSURE: 2185400 -248.968 -259.674 -86.6759 -259.675 -289.146 -65.1936 -86.6765 -65.1944 -97.8525 GPRESSURE: 2185400 -252.065 -51.7704 -76.1211 -349.688 -207.749 -87.0085 -130.254 -24.3354 -101.961 PRESSAVG: 2185400 -7.1959 40.6223 -50.5663 40.6223 -23.5402 56.8085 -50.5663 56.8085 -5.45919 GPRESSAVG: 2185400 -6.17636 38.6619 -51.0871 41.2777 -23.5529 57.9057 -48.6695 54.4387 -6.67757 TIMING: 2185400 CPU: 6978.56, 0.00315762/step Wall: 6978.56, 0.00315762/step, 2.46874 hours remaining, 239.457031 MB of memory in use. ENERGY: 2185400 3990.1278 20537.5938 14428.6347 260.3559 -203282.5867 2338.6622 0.0000 0.0000 51975.6098 -109751.6025 298.7045 -161727.2123 -109384.1685 298.2985 -211.9887 -187.2584 763590.3749 -12.0651 -12.1356 PRESSURE: 2185600 36.9761 -165.151 -135.926 -165.152 -236.211 -16.2279 -135.926 -16.227 2.13481 GPRESSURE: 2185600 154.972 -240.707 -136.595 -90.1845 -165.006 -1.49886 6.21318 37.5831 -81.8544 PRESSAVG: 2185600 -16.3331 -7.1055 -7.77925 -7.10557 0.128635 55.1707 -7.77927 55.1707 8.79344 GPRESSAVG: 2185600 -16.4368 -6.90696 -6.97569 -7.90545 -0.46541 54.7207 -9.92827 58.2186 9.23691 TIMING: 2185600 CPU: 6979.18, 0.00314724/step Wall: 6979.18, 0.00314724/step, 2.46044 hours remaining, 239.457031 MB of memory in use. ENERGY: 2185600 3988.9863 20541.9434 14399.6021 251.3661 -203634.6636 2890.5989 0.0000 0.0000 51887.6674 -109674.4994 298.1991 -161562.1668 -109318.5971 298.6860 -65.7000 -30.6296 761183.7188 -2.4703 -2.5551 PRESSURE: 2185800 97.0935 25.9057 -134.156 25.9045 -77.635 48.7273 -134.156 48.7277 -117.672 GPRESSURE: 2185800 144.195 -78.7188 -86.3844 31.1136 -84.2869 90.2055 -135.76 49.0074 -70.6272 PRESSAVG: 2185800 85.4079 -28.7203 -17.0088 -28.7204 -27.9202 2.67407 -17.0088 2.67402 26.8298 GPRESSAVG: 2185800 84.8752 -27.5972 -16.716 -27.2941 -28.0642 3.56545 -16.2271 -0.719229 27.9887 TIMING: 2185800 CPU: 6979.81, 0.0031471/step Wall: 6979.81, 0.0031471/step, 2.46016 hours remaining, 239.457031 MB of memory in use. ENERGY: 2185800 4039.8873 20547.1509 14406.5937 254.0392 -203706.6844 2935.6352 0.0000 0.0000 51779.2224 -109744.1558 297.5759 -161523.3782 -109389.0152 298.6990 -32.7379 -3.5730 762321.3801 28.1059 28.2665 PRESSURE: 2186000 25.8073 87.7301 -228.284 87.7299 -141.413 -61.6599 -228.284 -61.6595 225.199 GPRESSURE: 2186000 44.1846 131.717 -229.783 75.7716 -50.5633 -78.5078 -67.7227 64.3101 195.083 PRESSAVG: 2186000 18.9711 0.159868 -2.70775 0.159932 60.0226 26.4545 -2.70772 26.4545 -4.52866 GPRESSAVG: 2186000 18.3236 -2.46154 -3.29679 1.25291 61.9772 25.2432 -1.51872 27.1145 -5.87707 TIMING: 2186000 CPU: 6980.45, 0.00315566/step Wall: 6980.45, 0.00315566/step, 2.46668 hours remaining, 239.457031 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: 2186000 3938.5621 20450.7572 14395.6270 237.1963 -203535.8277 2831.0282 0.0000 0.0000 51901.5303 -109781.1266 298.2788 -161682.6569 -109419.0481 297.8789 36.5309 62.9016 763392.9900 24.8217 24.8079 PRESSURE: 2186200 414.955 -50.726 186.104 -50.7269 134.911 -53.352 186.103 -53.3519 123.448 GPRESSURE: 2186200 447.687 -72.8842 135.633 35.873 172.416 100.097 167.118 -109.85 126.594 PRESSAVG: 2186200 -23.4857 64.2999 -2.25988 64.2999 -6.13031 38.305 -2.25989 38.3051 2.05313 GPRESSAVG: 2186200 -22.2297 63.4753 -3.49715 64.0532 -7.67101 39.4918 -2.17574 40.106 2.32554 TIMING: 2186200 CPU: 6981.08, 0.00317647/step Wall: 6981.08, 0.00317648/step, 2.48277 hours remaining, 239.457031 MB of memory in use. ENERGY: 2186200 3981.7369 20385.8833 14452.1249 256.7796 -203735.7444 2850.3941 0.0000 0.0000 51957.1576 -109851.6680 298.5985 -161808.8256 -109494.3956 298.3686 224.4382 248.8989 762025.0448 -9.1876 -9.1917 PRESSURE: 2186400 24.2778 -42.5762 60.522 -42.5759 51.516 12.049 60.5214 12.0485 77.296 GPRESSURE: 2186400 117.838 -55.6514 35.347 40.5234 109.316 43.711 53.923 58.9595 5.35078 PRESSAVG: 2186400 -12.6786 19.0686 61.8674 19.0686 -24.6033 41.7722 61.8674 41.7724 -6.25654 GPRESSAVG: 2186400 -14.0661 20.9156 61.9643 17.6111 -24.0218 40.0424 61.064 40.8832 -6.31589 TIMING: 2186400 CPU: 6981.72, 0.00317803/step Wall: 6981.72, 0.00317803/step, 2.48381 hours remaining, 239.457031 MB of memory in use. ENERGY: 2186400 3955.9418 20233.6547 14536.5730 255.2767 -203432.2105 2665.5676 0.0000 0.0000 51893.6895 -109891.5071 298.2337 -161785.1966 -109529.7873 297.9465 51.0299 77.5019 762981.1406 -14.5128 -14.8013 PRESSURE: 2186600 -2.92562 -127.196 96.6163 -127.196 0.63537 41.3435 96.6168 41.3431 -136.795 GPRESSURE: 2186600 53.4725 -88.265 127.538 -36.9293 72.6522 40.8106 34.7612 126.192 -173.557 PRESSAVG: 2186600 -36.2322 13.4524 -21.3373 13.4524 25.2535 -8.93418 -21.3372 -8.93419 7.34058 GPRESSAVG: 2186600 -33.9999 13.2469 -20.8249 13.0323 24.9353 -8.2779 -20.9938 -9.07364 5.59453 TIMING: 2186600 CPU: 6982.35, 0.00317678/step Wall: 6982.35, 0.00317678/step, 2.48265 hours remaining, 239.457031 MB of memory in use. ENERGY: 2186600 3958.0477 20317.1651 14486.4554 245.3387 -203330.6778 2540.6811 0.0000 0.0000 51998.9191 -109784.0706 298.8385 -161782.9897 -109421.5799 298.5105 -46.3616 -15.8106 762373.2270 -1.2127 -1.1567 PRESSURE: 2186800 434.3 17.2599 -23.628 17.2604 363.75 -215.204 -23.6271 -215.206 -71.9096 GPRESSURE: 2186800 347.676 80.462 -5.07577 -35.5468 374.174 -261.876 80.1368 -168.832 79.14 PRESSAVG: 2186800 21.7227 10.7525 -54.2362 10.7525 -19.9467 -67.8134 -54.2362 -67.8134 -0.615289 GPRESSAVG: 2186800 20.6122 11.1812 -53.9706 9.18063 -19.4937 -68.8666 -54.9598 -67.2784 0.382581 TIMING: 2186800 CPU: 6982.98, 0.00315214/step Wall: 6982.98, 0.00315214/step, 2.46322 hours remaining, 239.457031 MB of memory in use. ENERGY: 2186800 3966.5040 20382.0988 14526.4319 236.9220 -203800.1617 2819.6000 0.0000 0.0000 52131.4948 -109737.1103 299.6004 -161868.6051 -109372.5502 298.1959 242.0469 266.9967 760802.1015 0.3869 0.5004 PRESSURE: 2187000 -69.8646 -4.24629 -51.1236 -4.24556 -58.6268 -361.712 -51.1233 -361.712 250.652 GPRESSURE: 2187000 -100.307 -92.0191 -148.406 31.6381 13.7739 -309.132 61.8935 -310.872 282.766 PRESSAVG: 2187000 47.0725 42.6809 -20.482 42.6809 18.2699 26.6857 -20.4819 26.6857 -4.89833 GPRESSAVG: 2187000 47.4459 41.0816 -19.1334 45.4666 17.8337 27.2104 -19.4696 26.912 -4.51045 TIMING: 2187000 CPU: 6983.61, 0.00316543/step Wall: 6983.61, 0.00316543/step, 2.47343 hours remaining, 239.457031 MB of memory in use. ENERGY: 2187000 3990.3911 20526.0726 14548.1822 261.4887 -203433.1511 2670.0280 0.0000 0.0000 51848.2541 -109588.7345 297.9726 -161436.9886 -109233.8359 298.8886 40.7201 65.4109 762319.1764 20.1480 20.2564 PRESSURE: 2187200 -688.344 -41.9754 -241.71 -41.9764 -53.1213 -152.268 -241.71 -152.269 -165.134 GPRESSURE: 2187200 -541.301 -44.6207 -226.788 29.8928 -117.778 -224.469 -289.467 -60.9437 -168.031 PRESSAVG: 2187200 -1.18398 -78.4175 -65.3687 -78.4175 16.0926 14.2103 -65.3686 14.2103 -0.549594 GPRESSAVG: 2187200 -0.213025 -78.0746 -66.7726 -78.295 15.6899 13.4413 -67.4063 12.7322 -0.994698 TIMING: 2187200 CPU: 6984.24, 0.00313983/step Wall: 6984.24, 0.00313983/step, 2.45325 hours remaining, 239.457031 MB of memory in use. ENERGY: 2187200 4119.3931 20468.8082 14559.1297 251.0859 -203118.5452 2256.7526 0.0000 0.0000 52085.0716 -109378.3041 299.3336 -161463.3756 -109014.0414 299.2985 -302.1996 -275.7032 761891.3463 4.7863 4.8274 PRESSURE: 2187400 -169.184 -60.2062 -13.5244 -60.205 -261.737 -106.577 -13.5244 -106.578 -271.354 GPRESSURE: 2187400 -127.861 -47.9523 -51.0462 -0.902521 -265.331 -141.174 84.5213 -103.261 -233.751 PRESSAVG: 2187400 -21.7276 -37.9117 -7.43467 -37.9117 23.3953 -46.0928 -7.43469 -46.0928 -4.23808 GPRESSAVG: 2187400 -22.4375 -36.0553 -7.00416 -37.4535 23.5581 -46.5896 -7.80977 -43.5892 -3.47378 TIMING: 2187400 CPU: 6984.87, 0.00315236/step Wall: 6984.87, 0.00315237/step, 2.46287 hours remaining, 239.457031 MB of memory in use. ENERGY: 2187400 4085.9247 20491.6616 14446.3592 263.4272 -203276.3740 2590.0241 0.0000 0.0000 51884.7762 -109514.2009 298.1825 -161398.9771 -109153.9831 299.2058 -234.0918 -208.9811 760769.2097 -0.8568 -0.7844 PRESSURE: 2187600 -167.007 -75.1471 -106.445 -75.147 -103.189 13.5475 -106.445 13.549 113.792 GPRESSURE: 2187600 -122.278 -136.138 -14.3262 -84.4057 -64.6338 48.0628 2.46405 53.3087 102.047 PRESSAVG: 2187600 30.9275 -49.9578 -5.79666 -49.9578 -25.0126 -22.8432 -5.79666 -22.8431 -3.94779 GPRESSAVG: 2187600 31.8243 -51.5236 -6.0022 -52.1662 -24.086 -20.636 -4.52486 -26.1308 -5.41897 TIMING: 2187600 CPU: 6985.5, 0.003149/step Wall: 6985.5, 0.003149/step, 2.46007 hours remaining, 239.457031 MB of memory in use. ENERGY: 2187600 4039.5899 20422.3861 14441.6357 251.1414 -203081.9780 2352.5761 0.0000 0.0000 52169.5550 -109405.0937 299.8191 -161574.6487 -109041.4380 299.3183 -52.1349 -28.2883 761507.7049 0.6557 0.7731 PRESSURE: 2187800 -172.131 52.318 85.5718 52.3176 -165.681 -81.737 85.5725 -81.7364 -134.976 GPRESSURE: 2187800 -137.786 56.0104 126.094 13.1502 -59.6448 -130.986 -2.30185 -207.724 -202.567 PRESSAVG: 2187800 31.9493 -50.4001 1.7199 -50.4001 -4.06906 -47.351 1.71984 -47.3509 -6.30115 GPRESSAVG: 2187800 31.1294 -48.6215 1.39975 -49.5538 -4.58428 -49.4434 1.50098 -44.8956 -5.20469 TIMING: 2187800 CPU: 6986.13, 0.00314062/step Wall: 6986.13, 0.00314062/step, 2.45335 hours remaining, 239.457031 MB of memory in use. ENERGY: 2187800 4123.9670 20573.4330 14469.7971 250.9340 -203792.4605 2988.6119 0.0000 0.0000 52142.8528 -109242.8647 299.6657 -161385.7175 -108885.7190 299.5861 -157.5960 -133.3329 760930.3953 7.1930 7.1135 PRESSURE: 2188000 -500.07 -49.1736 140.499 -49.1733 -77.7695 -151.777 140.5 -151.777 -53.6691 GPRESSURE: 2188000 -490.561 -21.886 123.407 -18.0299 -58.3909 -109.247 166.271 -141.039 -4.31274 PRESSAVG: 2188000 44.0076 -0.76304 17.9166 -0.763014 9.12185 -29.0871 17.9166 -29.087 19.1876 GPRESSAVG: 2188000 44.732 -1.84721 20.1074 2.10683 8.64522 -27.9435 16.3779 -30.559 19.3187 TIMING: 2188000 CPU: 6986.76, 0.00313601/step Wall: 6986.76, 0.00313601/step, 2.44957 hours remaining, 239.457031 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: 2188000 3966.1283 20431.7617 14460.6029 247.1040 -203135.2227 2525.4959 0.0000 0.0000 52353.7463 -109150.3836 300.8777 -161504.1298 -108781.3708 300.0957 -210.5027 -184.4214 760620.0581 24.1057 24.2320 PRESSURE: 2188200 -401.114 103.665 280.433 103.665 -83.1413 3.3051 280.433 3.30446 -162.43 GPRESSURE: 2188200 -305.923 66.497 305.863 94.3071 -30.1608 -34.9929 240.973 7.33267 -219.735 PRESSAVG: 2188200 45.9222 -6.27552 49.2777 -6.27556 -46.9428 -23.5967 49.2777 -23.5967 -5.07126 GPRESSAVG: 2188200 45.7018 -7.40327 48.9497 -8.31013 -45.7362 -25.1255 50.0122 -22.7885 -6.09284 TIMING: 2188200 CPU: 6987.38, 0.00312273/step Wall: 6987.38, 0.00312273/step, 2.43902 hours remaining, 239.457031 MB of memory in use. ENERGY: 2188200 4071.0590 20583.5131 14470.1369 250.6285 -203003.8364 2463.3030 0.0000 0.0000 51978.3501 -109186.8458 298.7203 -161165.1960 -108842.5881 299.7454 -215.5617 -185.2730 761595.7231 -2.0306 -2.0424 LDB: ============= START OF LOAD BALANCING ============== 6999.83 LDB: ============== END OF LOAD BALANCING =============== 6999.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6999.83 LDB: ============= START OF LOAD BALANCING ============== 7000.15 LDB: Largest compute 7071 load 0.036457 is 18.7% of average load 0.195352 LDB: Average compute 0.004382 is 2.2% of average load 0.195352 LDB: TIME 7000.15 LOAD: AVG 0.195352 MAX 0.213242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.512 MB LDB: TIME 7000.15 LOAD: AVG 0.195352 MAX 0.213242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: TIME 7000.15 LOAD: AVG 0.195352 MAX 0.213242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: ============== END OF LOAD BALANCING =============== 7000.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7000.16 PRESSURE: 2188400 -124.066 -72.8543 262.795 -72.854 -18.5491 102.926 262.794 102.926 -497.287 GPRESSURE: 2188400 -70.9512 -179.257 267.348 -21.382 5.10278 73.1885 229.66 155.432 -490.638 PRESSAVG: 2188400 -15.9235 41.1564 -13.6647 41.1564 -56.9672 -20.0028 -13.6647 -20.0028 15.8019 GPRESSAVG: 2188400 -15.9995 41.9677 -14.6466 40.7874 -57.1042 -18.008 -13.4465 -20.9556 16.1309 TIMING: 2188400 CPU: 6988.02, 0.00320011/step Wall: 6988.02, 0.00320011/step, 2.49929 hours remaining, 241.886719 MB of memory in use. ENERGY: 2188400 4080.0577 20526.6636 14505.8739 243.6913 -202928.9038 2579.2806 0.0000 0.0000 51732.8998 -109260.4369 297.3097 -160993.3367 -108900.6855 299.6091 -213.3009 -185.4953 762452.2192 -19.0296 -18.9909 PRESSURE: 2188600 167.099 136.4 92.4119 136.4 -341.97 -34.8971 92.4119 -34.898 268.512 GPRESSURE: 2188600 92.6823 156.171 53.126 34.198 -228.33 -46.1836 143.778 -1.99839 323.861 PRESSAVG: 2188600 20.3205 31.7426 -28.3396 31.7427 0.319774 -9.69924 -28.3397 -9.69923 12.6104 GPRESSAVG: 2188600 19.1153 34.0994 -28.5063 32.0814 1.04425 -10.6062 -25.8702 -7.61334 12.8789 TIMING: 2188600 CPU: 6988.65, 0.00313154/step Wall: 6988.65, 0.00313154/step, 2.44556 hours remaining, 242.089844 MB of memory in use. ENERGY: 2188600 3920.9361 20570.7040 14457.4882 225.1570 -203644.5153 2974.4718 0.0000 0.0000 52119.3404 -109376.4179 299.5306 -161495.7583 -109008.5193 299.3240 31.2138 62.7380 760983.3343 11.0836 11.0128 PRESSURE: 2188800 -151.84 -1.16306 -4.59289 -1.16283 326.672 -57.1803 -4.59272 -57.1808 -29.7864 GPRESSURE: 2188800 -120.566 119.912 -34.0163 103.99 288.448 -102.768 62.8272 -96.1921 46.0178 PRESSAVG: 2188800 -39.2955 -0.978274 2.60721 -0.978299 11.3586 11.0211 2.60719 11.0211 4.09957 GPRESSAVG: 2188800 -38.3377 -0.0860527 3.63945 -0.993428 9.2155 9.59988 0.613839 11.153 5.34702 TIMING: 2188800 CPU: 6989.27, 0.00312703/step Wall: 6989.27, 0.00312703/step, 2.44187 hours remaining, 242.089844 MB of memory in use. ENERGY: 2188800 3980.0980 20385.1012 14454.5544 249.2739 -203216.8821 2653.0986 0.0000 0.0000 52286.4752 -109208.2810 300.4911 -161494.7562 -108845.9784 299.2919 48.3486 71.3001 761322.8606 -7.9458 -7.9251 PRESSURE: 2189000 -192.97 -59.5917 222.241 -59.5917 -172.88 91.2391 222.241 91.2388 139.018 GPRESSURE: 2189000 -136.403 -63.4409 156.577 -26.2197 -87.8878 115.282 296.416 177.067 67.4341 PRESSAVG: 2189000 48.3945 8.78323 -7.03259 8.78322 -48.7163 12.0104 -7.03256 12.0105 23.6523 GPRESSAVG: 2189000 48.1176 7.32652 -8.6709 10.0234 -47.4851 13.7207 -6.37269 10.0647 22.3535 TIMING: 2189000 CPU: 6989.9, 0.00313372/step Wall: 6989.9, 0.00313372/step, 2.44691 hours remaining, 242.089844 MB of memory in use. ENERGY: 2189000 3969.3775 20587.2757 14501.1954 234.6010 -202895.4636 2357.8643 0.0000 0.0000 52244.4863 -109000.6635 300.2498 -161245.1497 -108639.5102 299.9654 -75.6107 -52.2855 761582.4508 7.7768 7.6620 PRESSURE: 2189200 -8.25365 -159.774 -39.0431 -159.773 -64.9397 -155.051 -39.0426 -155.052 -28.2826 GPRESSURE: 2189200 68.9279 -110.128 -179.095 -98.0126 29.2498 -148.481 30.7005 -120.691 -100.492 PRESSAVG: 2189200 -26.2724 -6.83515 -59.2429 -6.83514 15.2402 42.0882 -59.2429 42.0882 12.011 GPRESSAVG: 2189200 -26.5896 -7.39099 -58.546 -8.40958 14.744 42.8968 -58.7666 40.9071 12.6399 TIMING: 2189200 CPU: 6990.53, 0.00315491/step Wall: 6990.53, 0.00315491/step, 2.46328 hours remaining, 242.089844 MB of memory in use. ENERGY: 2189200 4017.8284 20435.4885 14569.0533 248.2645 -203176.6495 2798.4122 0.0000 0.0000 52317.8005 -108789.8022 300.6711 -161107.6027 -108437.9565 300.4716 -33.8253 -0.7714 762715.3598 0.3262 0.2647 PRESSURE: 2189400 -194.279 -82.2802 -114.583 -82.28 -227.057 -224.375 -114.583 -224.374 80.2884 GPRESSURE: 2189400 -131.361 -194.852 -149.709 -122.185 -181.656 -349.276 -162.591 -148.63 71.3065 PRESSAVG: 2189400 -43.6204 -40.3978 -15.8948 -40.3978 44.9074 35.135 -15.8949 35.1349 6.42987 GPRESSAVG: 2189400 -43.2937 -41.918 -14.6481 -39.5206 46.3812 35.6791 -16.6995 35.4793 4.64598 TIMING: 2189400 CPU: 6991.16, 0.00314065/step Wall: 6991.16, 0.00314065/step, 2.45198 hours remaining, 242.089844 MB of memory in use. ENERGY: 2189400 3985.9938 20547.0152 14475.1358 250.1997 -202494.2197 2052.5221 0.0000 0.0000 52374.4512 -108808.9019 300.9967 -161183.3531 -108440.9850 300.0039 -113.6826 -80.5703 762239.4341 2.5723 2.5778 PRESSURE: 2189600 -346.094 173.878 219.627 173.878 -23.5231 17.9695 219.626 17.9701 -43.9284 GPRESSURE: 2189600 -332.662 133.513 121.134 123.18 -56.3402 51.852 269.73 -6.67737 50.3445 PRESSAVG: 2189600 -37.5188 -19.7548 18.9775 -19.7548 46.078 48.3236 18.9775 48.3236 -19.5181 GPRESSAVG: 2189600 -37.9312 -18.5663 18.4215 -21.6052 43.9487 46.5307 20.0874 49.9201 -16.9707 TIMING: 2189600 CPU: 6991.79, 0.00315561/step Wall: 6991.79, 0.00315561/step, 2.46348 hours remaining, 242.089844 MB of memory in use. ENERGY: 2189600 4007.8443 20406.6909 14583.5007 243.4330 -202608.1182 2435.2138 0.0000 0.0000 52240.6777 -108690.7578 300.2279 -160931.4355 -108335.4428 300.4392 -137.8485 -112.8859 763513.9152 -3.6530 -3.6511 PRESSURE: 2189800 389.052 -155.334 24.7384 -155.335 49.8177 -15.6116 24.7386 -15.6124 -17.3611 GPRESSURE: 2189800 436.915 -91.9629 -55.3824 -67.4756 35.7329 -37.6184 65.3703 -25.3023 23.1361 PRESSAVG: 2189800 -8.19962 -19.8687 26.1102 -19.8687 -26.3175 7.06179 26.1102 7.06175 -13.0311 GPRESSAVG: 2189800 -8.83667 -19.37 26.2632 -16.558 -25.4601 6.60272 25.1043 6.8021 -14.0301 TIMING: 2189800 CPU: 6992.43, 0.00317159/step Wall: 6992.43, 0.00317159/step, 2.47578 hours remaining, 242.089844 MB of memory in use. ENERGY: 2189800 4048.9111 20586.3210 14492.6954 233.5355 -203211.3408 2706.2548 0.0000 0.0000 52289.6765 -108853.9466 300.5095 -161143.6231 -108492.5365 300.2999 140.5029 165.2612 763165.2340 -15.8494 -16.1090 PRESSURE: 2190000 63.9269 -172.937 -134.309 -172.937 101.484 186.225 -134.309 186.225 79.8677 GPRESSURE: 2190000 46.247 -282.271 -81.5172 -33.7704 169.627 161.654 -146.46 141.289 101.381 PRESSAVG: 2190000 -10.8453 -73.9918 -20.7907 -73.9918 35.1521 51.3109 -20.7907 51.311 19.7027 GPRESSAVG: 2190000 -11.9772 -75.526 -20.0729 -76.3343 35.3968 52.2611 -21.4234 49.9613 20.7321 TIMING: 2190000 CPU: 6993.05, 0.00313957/step Wall: 6993.05, 0.00313957/step, 2.45061 hours remaining, 242.089844 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: 2190000 3958.7195 20414.4744 14477.6791 254.6468 -202899.5332 2570.1437 0.0000 0.0000 52206.9245 -109016.9453 300.0339 -161223.8697 -108653.2956 300.0103 81.7594 105.7517 761950.8581 14.6698 14.7172 PRESSURE: 2190200 37.3499 -242.013 -115.017 -242.013 135.933 -96.924 -115.017 -96.9251 33.7526 GPRESSURE: 2190200 138.561 -160.339 -89.9592 -125.049 136.928 -95.0463 -22.4631 -164.237 15.961 PRESSAVG: 2190200 -0.336051 -8.76183 -14.363 -8.76173 -46.1987 50.344 -14.363 50.344 22.5236 GPRESSAVG: 2190200 1.05157 -8.05292 -14.7812 -6.05849 -46.2471 51.1682 -13.8049 50.4768 21.2044 TIMING: 2190200 CPU: 6993.69, 0.00315763/step Wall: 6993.69, 0.00315763/step, 2.46453 hours remaining, 242.089844 MB of memory in use. ENERGY: 2190200 3922.7862 20477.5775 14459.1959 220.2993 -203001.0013 2794.2109 0.0000 0.0000 51934.2699 -109192.6616 298.4670 -161126.9315 -108820.6428 299.2115 69.0117 97.1497 763026.8169 -8.0037 -7.9970 PRESSURE: 2190400 309.763 -24.7679 -104.24 -24.7674 198.164 -170.393 -104.241 -170.393 357.214 GPRESSURE: 2190400 293.934 -46.6908 -51.8674 -38.6784 223.738 -149.309 -248.432 -247.242 461.724 PRESSAVG: 2190400 -31.6483 -17.4734 17.1369 -17.4734 43.0454 -14.6799 17.1369 -14.68 -11.7465 GPRESSAVG: 2190400 -32.1731 -18.5813 17.3131 -21.4356 43.2681 -15.5259 17.8266 -15.6198 -11.2651 TIMING: 2190400 CPU: 6994.31, 0.00314443/step Wall: 6994.31, 0.00314443/step, 2.45406 hours remaining, 242.089844 MB of memory in use. ENERGY: 2190400 3934.8050 20437.6583 14511.7158 232.1617 -203419.3744 2932.5390 0.0000 0.0000 51900.8375 -109469.6572 298.2748 -161370.4947 -109103.6652 298.7054 288.3804 326.4654 761325.4594 -0.1165 -0.0567 PRESSURE: 2190600 17.7202 -84.7222 52.0132 -84.7218 -105.987 135.469 52.0136 135.469 -135.749 GPRESSURE: 2190600 105.075 -147.065 -46.0024 -83.8753 -95.6009 161.563 73.7549 168.704 -119.533 PRESSAVG: 2190600 5.84352 -26.9412 20.7877 -26.9411 -0.016463 -9.24133 20.7878 -9.24141 23.8674 GPRESSAVG: 2190600 4.66736 -26.6033 20.9643 -25.4999 1.23125 -8.34479 20.3552 -8.66824 23.7248 TIMING: 2190600 CPU: 6994.94, 0.00314841/step Wall: 6994.94, 0.00314841/step, 2.45698 hours remaining, 242.089844 MB of memory in use. ENERGY: 2190600 4049.7245 20364.2022 14513.9675 264.9580 -203061.1841 2491.5896 0.0000 0.0000 52081.7070 -109295.0354 299.3143 -161376.7423 -108931.0346 298.6877 -74.6717 -36.6863 763258.5432 9.8981 9.8745 PRESSURE: 2190800 -506.404 24.4422 -117.077 24.4428 -350.023 -126.163 -117.077 -126.163 -560.924 GPRESSURE: 2190800 -477.495 62.6309 -124.645 -0.848192 -325.337 -22.6807 29.316 -183.806 -525.442 PRESSAVG: 2190800 -55.0232 -25.4447 -74.1518 -25.4447 38.4764 -8.60505 -74.1518 -8.60509 1.84171 GPRESSAVG: 2190800 -53.8296 -25.3073 -76.5001 -23.8919 36.1573 -9.85546 -70.796 -5.04843 1.88659 TIMING: 2190800 CPU: 6995.58, 0.00316558/step Wall: 6995.58, 0.00316558/step, 2.47021 hours remaining, 242.089844 MB of memory in use. ENERGY: 2190800 4094.7677 20359.9415 14442.8484 238.1554 -203038.8532 2584.9475 0.0000 0.0000 52056.2143 -109261.9783 299.1678 -161318.1926 -108895.5672 299.4109 -472.4503 -442.7580 763137.2278 -4.9017 -5.2619 PRESSURE: 2191000 238.327 -32.8507 -161.124 -32.8501 130.907 49.5846 -161.125 49.5841 192.219 GPRESSURE: 2191000 237.92 -97.3331 -130.231 -30.5606 189.282 69.6109 -192.145 31.223 216.489 PRESSAVG: 2191000 4.25088 -2.59452 -22.382 -2.59449 4.85946 -21.244 -22.382 -21.2439 20.3504 GPRESSAVG: 2191000 3.66507 -1.44494 -18.7629 -4.07233 5.09354 -21.9953 -26.2014 -25.4881 20.432 TIMING: 2191000 CPU: 6996.21, 0.00314372/step Wall: 6996.21, 0.00314372/step, 2.45298 hours remaining, 242.089844 MB of memory in use. ENERGY: 2191000 4006.0915 20464.9024 14487.2170 239.9546 -203600.7650 2892.2436 0.0000 0.0000 52101.6556 -109408.7003 299.4289 -161510.3559 -109046.8811 299.5806 187.1513 214.5637 761755.6375 9.8203 9.7302 PRESSURE: 2191200 -23.31 21.2751 22.9628 21.2746 -163.548 -39.6896 22.9631 -39.6891 -278.638 GPRESSURE: 2191200 34.7176 -58.5746 -37.1463 5.19599 -124.656 -66.0062 57.719 22.0875 -291.568 PRESSAVG: 2191200 -4.05781 -21.0867 -9.51413 -21.0866 4.66265 47.53 -9.51408 47.5301 5.16539 GPRESSAVG: 2191200 -3.64874 -21.2307 -10.9418 -21.3622 4.99913 50.1716 -7.92421 47.4994 4.31425 TIMING: 2191200 CPU: 6996.83, 0.00312757/step Wall: 6996.83, 0.00312757/step, 2.4402 hours remaining, 242.089844 MB of memory in use. ENERGY: 2191200 4030.7202 20454.1419 14487.4749 251.4884 -203782.4705 3083.6431 0.0000 0.0000 51989.6040 -109485.3981 298.7850 -161475.0021 -109132.4401 298.8966 -155.1653 -127.1687 760571.1649 1.9234 1.8882 PRESSURE: 2191400 31.904 82.5206 -106.172 82.5211 -3.72821 -18.3141 -106.172 -18.3146 165.422 GPRESSURE: 2191400 145.623 3.28337 -158.204 -7.25582 28.3312 42.9185 -94.4138 33.7757 103.466 PRESSAVG: 2191400 38.7458 -14.0599 3.97483 -14.0599 -3.29751 15.6204 3.97491 15.6205 -2.80127 GPRESSAVG: 2191400 39.2655 -14.8211 3.75137 -13.807 -4.43488 14.2914 3.81691 14.73 -1.66408 TIMING: 2191400 CPU: 6997.46, 0.00314648/step Wall: 6997.46, 0.00314648/step, 2.45478 hours remaining, 242.089844 MB of memory in use. ENERGY: 2191400 4024.4075 20581.0677 14486.6745 238.1669 -203550.9384 3079.8348 0.0000 0.0000 51723.3434 -109417.4435 297.2548 -161140.7869 -109055.1810 298.4809 64.5325 92.4736 760954.0211 10.8823 11.0555 PRESSURE: 2191600 -294.507 5.02802 -155.71 5.02778 -463.191 64.2273 -155.71 64.2274 -24.9365 GPRESSURE: 2191600 -247.81 78.4438 -42.6422 136.892 -455.619 50.2622 -155.603 128.873 8.23517 PRESSAVG: 2191600 -40.1745 -38.6675 -11.5236 -38.6675 36.5024 -19.4257 -11.5236 -19.4257 30.0872 GPRESSAVG: 2191600 -40.4749 -38.4117 -10.4131 -38.2938 37.6209 -19.5705 -13.261 -16.6794 29.4366 TIMING: 2191600 CPU: 6998.09, 0.00314066/step Wall: 6998.09, 0.00314066/step, 2.45006 hours remaining, 242.089844 MB of memory in use. ENERGY: 2191600 4078.0415 20582.6354 14499.5947 240.2735 -203361.2751 2694.1190 0.0000 0.0000 52140.2433 -109126.3679 299.6507 -161266.6112 -108766.2197 299.1306 -260.8783 -231.7312 761580.3956 8.8050 8.8609 PRESSURE: 2191800 58.2205 189.288 3.24485 189.289 -121.903 58.3722 3.24493 58.3716 -300.871 GPRESSURE: 2191800 107.724 177.776 -18.1915 320.967 -110.153 68.4792 -62.6853 38.9961 -281.424 PRESSAVG: 2191800 19.5743 -18.1419 -63.0464 -18.142 -34.7734 10.1579 -63.0464 10.1579 -8.93736 GPRESSAVG: 2191800 19.4182 -20.3821 -64.6337 -17.1732 -36.0577 9.40106 -62.237 11.1965 -7.23078 TIMING: 2191800 CPU: 6998.72, 0.00315607/step Wall: 6998.72, 0.00315607/step, 2.46191 hours remaining, 242.089844 MB of memory in use. ENERGY: 2191800 4011.4879 20550.5903 14500.9698 240.7673 -202784.0561 2277.6561 0.0000 0.0000 52120.0677 -109082.5170 299.5347 -161202.5847 -108715.4009 300.0240 -121.5178 -94.6180 762542.1812 -8.0455 -7.9568 PRESSURE: 2192000 -123.297 24.3808 -129.996 24.3807 -77.418 13.7346 -129.997 13.7345 405.699 GPRESSURE: 2192000 -123.712 -35.3459 -48.844 68.251 -57.9184 44.9766 -71.709 -13.1118 464.167 PRESSAVG: 2192000 -63.9888 10.4133 -13.2036 10.4134 24.9626 -55.3527 -13.2036 -55.3526 1.7877 GPRESSAVG: 2192000 -63.4611 11.8378 -12.7358 9.01184 25.6396 -55.4625 -13.1066 -58.1833 0.441383 TIMING: 2192000 CPU: 6999.36, 0.00317997/step Wall: 6999.36, 0.00317997/step, 2.48038 hours remaining, 242.089844 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: 2192000 4023.2766 20603.4647 14586.8422 232.0997 -203356.1765 2800.0774 0.0000 0.0000 52113.6326 -108996.7833 299.4978 -161110.4158 -108632.6296 299.7820 68.3279 94.1788 761161.5162 -12.4128 -12.4600 PRESSURE: 2192200 110.876 -277.762 17.2509 -277.763 62.0695 151.656 17.2507 151.655 178.319 GPRESSURE: 2192200 117.657 -322.37 28.0014 -10.1084 123.534 141.052 -52.8443 124.835 194.709 PRESSAVG: 2192200 23.1186 -78.8259 1.68335 -78.8259 -10.4783 -51.9875 1.68337 -51.9874 1.45905 GPRESSAVG: 2192200 22.6007 -76.9536 0.861917 -78.0123 -10.1046 -51.1415 3.19985 -51.9704 2.24181 TIMING: 2192200 CPU: 6999.98, 0.00313828/step Wall: 6999.98, 0.00313828/step, 2.44768 hours remaining, 242.089844 MB of memory in use. ENERGY: 2192200 4020.6732 20674.6489 14459.6953 245.0148 -203482.8949 2856.6203 0.0000 0.0000 52140.9850 -109085.2574 299.6550 -161226.2424 -108730.8504 299.9106 117.0881 145.2999 761602.7284 4.6998 4.9126 LDB: ============= START OF LOAD BALANCING ============== 7012.43 LDB: ============== END OF LOAD BALANCING =============== 7012.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7012.44 LDB: ============= START OF LOAD BALANCING ============== 7012.75 LDB: Largest compute 7026 load 0.036999 is 18.9% of average load 0.195275 LDB: Average compute 0.004394 is 2.3% of average load 0.195275 LDB: TIME 7012.75 LOAD: AVG 0.195275 MAX 0.214776 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.246 MB LDB: TIME 7012.76 LOAD: AVG 0.195275 MAX 0.214776 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.246 MB LDB: TIME 7012.76 LOAD: AVG 0.195275 MAX 0.214776 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.246 MB LDB: ============== END OF LOAD BALANCING =============== 7012.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7012.76 PRESSURE: 2192400 113.62 18.1321 134.775 18.1329 94.6914 -114.143 134.775 -114.143 403.536 GPRESSURE: 2192400 117.909 10.6251 92.8791 35.2405 194.332 -72.5923 133.526 -101.162 383.575 PRESSAVG: 2192400 0.405676 14.8677 26.1565 14.8676 9.39293 -13.0006 26.1566 -13.0006 6.07778 GPRESSAVG: 2192400 1.91245 14.7374 25.3684 14.4019 9.56997 -12.9807 22.7486 -12.3669 4.13067 TIMING: 2192400 CPU: 7000.63, 0.00321242/step Wall: 7000.63, 0.00321242/step, 2.50533 hours remaining, 240.039062 MB of memory in use. ENERGY: 2192400 3985.2960 20378.1250 14469.8321 238.2093 -203220.4417 2724.9678 0.0000 0.0000 51976.2752 -109447.7362 298.7084 -161424.0114 -109091.8914 299.4378 203.9491 231.9384 761729.3747 5.2921 5.2044 PRESSURE: 2192600 -20.1274 393.39 -98.8116 393.39 310.545 59.958 -98.8112 59.9579 -260.55 GPRESSURE: 2192600 -21.9108 420.282 -122.215 348.96 394.024 63.5983 -61.3251 -10.0921 -237.644 PRESSAVG: 2192600 8.91708 -26.2607 -17.4341 -26.2607 29.5922 4.23928 -17.4341 4.23923 16.3289 GPRESSAVG: 2192600 8.60015 -26.6848 -15.068 -27.0975 28.5504 4.56599 -15.2165 3.66797 18.5419 TIMING: 2192600 CPU: 7001.26, 0.00316/step Wall: 7001.26, 0.00316/step, 2.46428 hours remaining, 240.039062 MB of memory in use. ENERGY: 2192600 3981.0638 20377.0220 14430.0795 223.1572 -203188.8187 2699.8606 0.0000 0.0000 51918.0231 -109559.6126 298.3736 -161477.6357 -109195.7163 299.2167 9.9556 44.8232 761077.2398 18.2794 18.5641 PRESSURE: 2192800 -241.062 -219.522 -111.83 -219.522 -11.2853 -6.37089 -111.83 -6.37068 430.59 GPRESSURE: 2192800 -84.3073 -177.469 -131.449 -156.48 -178.726 71.4401 -111.908 -18.3474 531.216 PRESSAVG: 2192800 -5.24805 4.42004 -59.2582 4.42004 18.5719 30.2769 -59.2582 30.2768 -26.6903 GPRESSAVG: 2192800 -5.88125 4.56923 -58.8532 4.26305 18.6852 29.9077 -60.9921 31.1151 -27.3564 TIMING: 2192800 CPU: 7001.89, 0.00316101/step Wall: 7001.89, 0.00316101/step, 2.46488 hours remaining, 240.039062 MB of memory in use. ENERGY: 2192800 3951.9899 20464.4899 14488.1408 243.4078 -203338.1926 2695.2719 0.0000 0.0000 51661.6330 -109833.2593 296.9001 -161494.8923 -109482.5889 298.2124 59.4145 89.3941 763122.2605 -4.4555 -4.8508 PRESSURE: 2193000 132.665 -326.217 -120.448 -326.216 175.289 -95.6899 -120.447 -95.6894 72.8438 GPRESSURE: 2193000 117.561 -154.33 -126.61 -290.352 272.945 -25.9166 -57.7866 -232.227 74.0717 PRESSAVG: 2193000 30.1431 -17.5918 9.91406 -17.5919 -25.6708 2.08484 9.91407 2.08487 -1.2323 GPRESSAVG: 2193000 30.1889 -17.5973 8.53181 -16.9073 -26.1468 2.90271 10.6785 1.98996 -1.13241 TIMING: 2193000 CPU: 7002.52, 0.00315592/step Wall: 7002.52, 0.00315592/step, 2.46074 hours remaining, 240.039062 MB of memory in use. ENERGY: 2193000 3915.8218 20449.8882 14470.0385 243.9521 -203476.6488 2669.6937 0.0000 0.0000 52069.1903 -109658.0641 299.2424 -161727.2544 -109287.3692 298.4440 126.9326 154.8592 760992.8037 1.0800 0.9699 PRESSURE: 2193200 -193.803 93.0089 -20.2844 93.0087 -235.076 64.7766 -20.2838 64.776 -393.941 GPRESSURE: 2193200 -186.956 34.1752 -78.0598 99.0301 -179.558 95.0829 -113.753 126.737 -365.696 PRESSAVG: 2193200 3.53703 -63.7061 27.6624 -63.7061 41.5789 48.2592 27.6625 48.2592 25.3601 GPRESSAVG: 2193200 3.79397 -63.0841 27.6276 -65.7408 42.8993 48.1488 28.2689 45.7525 23.5382 TIMING: 2193200 CPU: 7003.15, 0.00314516/step Wall: 7003.15, 0.00314516/step, 2.45218 hours remaining, 240.039062 MB of memory in use. ENERGY: 2193200 4016.3011 20603.2648 14492.4775 272.5014 -203082.7559 2221.7851 0.0000 0.0000 51734.4506 -109741.9755 297.3186 -161476.4261 -109386.9251 299.0840 -274.2734 -244.0702 760947.8077 23.4920 23.4105 PRESSURE: 2193400 45.838 -64.1592 -177.729 -64.1598 17.0343 -104.396 -177.728 -104.397 -393.17 GPRESSURE: 2193400 20.9189 -100.961 -128.214 -109.043 67.8006 -198.085 -261.025 27.993 -333.379 PRESSAVG: 2193400 -44.3958 -39.9416 52.7013 -39.9416 24.7178 -18.0236 52.7013 -18.0236 -29.0627 GPRESSAVG: 2193400 -44.2912 -40.2287 51.8594 -39.7551 23.7944 -18.3032 52.258 -15.9323 -27.8194 TIMING: 2193400 CPU: 7003.78, 0.00314083/step Wall: 7003.78, 0.00314083/step, 2.44862 hours remaining, 240.039062 MB of memory in use. ENERGY: 2193400 3980.0553 20555.1466 14437.0983 248.0560 -203622.7706 2589.9788 0.0000 0.0000 52121.9607 -109690.4748 299.5456 -161812.4356 -109323.1542 298.8260 -110.0992 -81.5531 759747.9693 -16.2469 -16.1054 PRESSURE: 2193600 -292.323 -156.233 30.6428 -156.232 -428.294 73.2057 30.6421 73.2072 55.9094 GPRESSURE: 2193600 -238.067 -139.39 1.22644 -163.798 -360.591 137.069 135.771 8.0454 1.42161 PRESSAVG: 2193600 30.5176 -29.8432 36.2556 -29.8432 -11.9015 29.909 36.2556 29.9091 5.36095 GPRESSAVG: 2193600 29.0947 -29.8843 37.6574 -30.794 -11.0139 27.5871 35.6882 29.9692 6.1092 TIMING: 2193600 CPU: 7004.41, 0.00316736/step Wall: 7004.41, 0.00316736/step, 2.46913 hours remaining, 240.039062 MB of memory in use. ENERGY: 2193600 4017.6029 20515.6401 14441.6585 245.8144 -203266.4622 2436.3568 0.0000 0.0000 52002.6849 -109606.7045 298.8601 -161609.3894 -109246.5489 299.2084 -221.5691 -199.0789 759615.9367 7.9924 8.0633 PRESSURE: 2193800 0.990004 -60.1132 174.038 -60.1131 -10.6269 -68.0588 174.036 -68.0595 19.5867 GPRESSURE: 2193800 41.1959 -119.318 66.7525 32.5701 79.5843 -79.9771 181.308 -109.623 -12.6299 PRESSAVG: 2193800 23.6962 23.7987 63.2796 23.7987 -35.7014 27.2152 63.2796 27.2152 0.18754 GPRESSAVG: 2193800 23.6428 21.3192 63.6628 25.2715 -34.5827 28.729 65.3821 26.7746 -0.387049 TIMING: 2193800 CPU: 7005.04, 0.00315502/step Wall: 7005.04, 0.00315502/step, 2.45934 hours remaining, 240.039062 MB of memory in use. ENERGY: 2193800 3910.1113 20538.4864 14454.2039 259.8247 -203687.8961 2669.8464 0.0000 0.0000 51995.5602 -109859.8631 298.8192 -161855.4233 -109499.7377 299.0425 3.3166 36.0501 757974.0848 -3.9392 -3.7757 PRESSURE: 2194000 -66.0926 10.1134 78.4371 10.1137 160.216 85.308 78.4376 85.3088 -136.191 GPRESSURE: 2194000 68.79 -38.0247 -16.4621 -15.0454 63.4004 66.5104 164.902 23.962 -88.3122 PRESSAVG: 2194000 26.2086 -48.861 8.19555 -48.861 -28.2171 -12.9118 8.19557 -12.9119 32.3526 GPRESSAVG: 2194000 27.7422 -47.417 7.44963 -47.1467 -30.7005 -12.0545 5.87971 -12.388 33.5377 TIMING: 2194000 CPU: 7005.67, 0.00313857/step Wall: 7005.67, 0.00313857/step, 2.44634 hours remaining, 240.039062 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: 2194000 4068.1436 20515.1387 14451.7545 236.9367 -203336.6760 2585.3423 0.0000 0.0000 51836.8625 -109642.4978 297.9072 -161479.3603 -109279.3048 298.7613 -14.0226 14.6261 760838.7783 10.1147 10.1931 PRESSURE: 2194200 145.682 -92.1068 96.6156 -92.1067 51.0121 -207.055 96.616 -207.054 -6.52324 GPRESSURE: 2194200 136.454 -22.8482 137.768 -149.346 115.937 -223.083 135.239 -208.306 15.9995 PRESSAVG: 2194200 32.2622 -1.25395 38.8621 -1.25402 -72.3344 6.38213 38.8621 6.38208 4.66777 GPRESSAVG: 2194200 31.4028 -0.599682 37.6319 -3.04863 -70.987 4.6097 38.7786 5.51851 4.97489 TIMING: 2194200 CPU: 7006.3, 0.00314761/step Wall: 7006.3, 0.00314761/step, 2.45321 hours remaining, 240.039062 MB of memory in use. ENERGY: 2194200 3978.8107 20470.5292 14437.9656 235.1819 -203372.8212 2571.5792 0.0000 0.0000 52189.1901 -109489.5645 299.9320 -161678.7546 -109111.4614 299.4978 63.3902 89.4633 760762.6899 -11.8015 -11.5365 PRESSURE: 2194400 -49.3096 -124.298 -174.912 -124.298 -452.739 214.202 -174.913 214.201 -286.386 GPRESSURE: 2194400 -82.1352 -79.0871 -177.927 -127.29 -382.119 213.578 -125.418 219.027 -251.135 PRESSAVG: 2194400 135.612 -9.33875 4.99011 -9.33878 -101.865 20.0655 4.99008 20.0655 -7.1236 GPRESSAVG: 2194400 136.223 -11.8371 6.43288 -8.8234 -101.603 20.2047 8.03275 22.3531 -8.37059 TIMING: 2194400 CPU: 7006.93, 0.00314548/step Wall: 7006.93, 0.00314548/step, 2.45138 hours remaining, 240.039062 MB of memory in use. ENERGY: 2194400 4098.7836 20557.5248 14479.7933 252.5830 -202958.2469 2239.1891 0.0000 0.0000 52146.4235 -109183.9496 299.6862 -161330.3731 -108825.7862 299.7672 -262.8115 -238.4633 761993.4599 8.8745 8.7498 PRESSURE: 2194600 -350.587 -132.99 107.559 -132.989 43.6717 51.4221 107.559 51.4213 -250.363 GPRESSURE: 2194600 -261.033 -39.2811 97.4843 -170.143 29.2374 45.3091 89.1632 35.8879 -219.179 PRESSAVG: 2194600 54.3405 27.4646 12.5523 27.4645 -49.4553 39.8922 12.5523 39.8923 -19.9541 GPRESSAVG: 2194600 54.3848 30.1207 11.1045 26.4074 -50.0249 40.2266 11.8275 38.8578 -19.5588 TIMING: 2194600 CPU: 7007.56, 0.00316384/step Wall: 7007.56, 0.00316384/step, 2.46551 hours remaining, 240.039062 MB of memory in use. ENERGY: 2194600 4036.4724 20487.1956 14450.9646 243.2624 -203028.8408 2587.0566 0.0000 0.0000 52341.8790 -108882.0103 300.8095 -161223.8893 -108518.7239 300.1408 -185.7593 -150.3248 761113.3059 -5.0230 -5.0663 PRESSURE: 2194800 -31.9035 -26.9827 94.7266 -26.9831 -141.389 65.234 94.7264 65.2341 77.0643 GPRESSURE: 2194800 60.5994 -84.1303 53.317 -88.1453 -152.517 40.1508 11.7423 18.9976 62.8287 PRESSAVG: 2194800 -7.38392 -42.2193 2.12975 -42.2194 -25.0683 39.0072 2.12969 39.0072 18.5032 GPRESSAVG: 2194800 -7.5234 -42.7871 3.07205 -42.191 -23.3733 38.5888 1.92484 39.2483 16.5916 TIMING: 2194800 CPU: 7008.19, 0.00315784/step Wall: 7008.19, 0.00315784/step, 2.46066 hours remaining, 240.039062 MB of memory in use. ENERGY: 2194800 3948.7338 20624.3366 14425.3996 274.6756 -202771.3143 2392.9092 0.0000 0.0000 52299.9227 -108805.3369 300.5684 -161105.2596 -108442.4159 300.0533 -32.0760 -9.6964 761361.7746 -4.6497 -4.7684 PRESSURE: 2195000 261.614 -122.056 40.2293 -122.055 122.804 162.425 40.23 162.425 -37.4337 GPRESSURE: 2195000 208.378 -117.099 34.5001 -136.925 202.677 160.215 103.87 130.235 15.6827 PRESSAVG: 2195000 27.4419 -40.8467 23.8761 -40.8467 25.9362 9.3387 23.8762 9.33867 -9.50164 GPRESSAVG: 2195000 28.1774 -41.267 23.326 -41.9618 23.4187 9.05413 22.9467 8.74925 -7.98865 TIMING: 2195000 CPU: 7008.83, 0.00317149/step Wall: 7008.83, 0.00317149/step, 2.47112 hours remaining, 240.039062 MB of memory in use. ENERGY: 2195000 4060.5250 20371.2896 14436.0074 234.1205 -203003.5143 2762.1510 0.0000 0.0000 52284.0236 -108855.3972 300.4770 -161139.4209 -108490.5268 300.8490 115.6614 142.2457 760136.3556 14.6255 14.5358 PRESSURE: 2195200 -55.2576 21.3363 179.924 21.3364 -450.312 -140.993 179.924 -140.993 -14.6941 GPRESSURE: 2195200 -56.3298 27.4007 151.91 -33.9444 -439.334 -35.6988 178.173 -190.465 55.266 PRESSAVG: 2195200 32.0722 4.17564 14.1019 4.17567 -49.9785 2.28363 14.1019 2.2836 7.00425 GPRESSAVG: 2195200 31.5904 3.53993 15.5013 6.69834 -48.8439 3.49229 15.0451 1.3057 6.22382 TIMING: 2195200 CPU: 7009.46, 0.00314958/step Wall: 7009.46, 0.00314958/step, 2.45387 hours remaining, 240.039062 MB of memory in use. ENERGY: 2195200 4029.7587 20478.4419 14460.3431 253.8101 -202772.6718 2503.7830 0.0000 0.0000 52239.3819 -108807.1530 300.2204 -161046.5350 -108439.7092 300.1908 -173.4213 -146.7994 762530.3948 -3.6340 -3.6766 PRESSURE: 2195400 -213.986 -39.8277 13.2969 -39.8278 95.237 -76.6061 13.2975 -76.6059 28.2951 GPRESSURE: 2195400 -87.7037 12.8228 -1.50076 24.7287 116.803 -108.759 84.4302 -50.9284 -39.7012 PRESSAVG: 2195400 -35.285 -16.5547 35.6959 -16.5547 22.7562 34.138 35.6958 34.1379 6.14492 GPRESSAVG: 2195400 -34.4052 -14.0757 34.5631 -16.709 21.2691 32.7724 35.8328 34.6242 6.8658 TIMING: 2195400 CPU: 7010.09, 0.00315651/step Wall: 7010.09, 0.00315651/step, 2.45909 hours remaining, 240.039062 MB of memory in use. ENERGY: 2195400 4010.5972 20431.2337 14410.1243 258.0175 -202547.2352 2454.2091 0.0000 0.0000 51928.8075 -109054.2461 298.4356 -160983.0536 -108692.8247 299.3708 -30.1513 -3.5341 761839.7580 -2.1280 -2.0901 PRESSURE: 2195600 -209.216 -54.2858 50.588 -54.2859 159.946 48.4073 50.5875 48.4063 230.132 GPRESSURE: 2195600 -84.7751 90.4244 82.5698 -7.14309 181.932 55.5222 -4.60472 -3.67096 190.59 PRESSAVG: 2195600 17.3959 -10.0279 26.0511 -10.0279 -18.4271 7.22488 26.0511 7.22497 6.56692 GPRESSAVG: 2195600 17.4223 -10.1879 27.2239 -13.1181 -17.8832 8.71842 25.3859 8.56059 5.92106 TIMING: 2195600 CPU: 7010.72, 0.00317153/step Wall: 7010.72, 0.00317153/step, 2.47062 hours remaining, 240.039062 MB of memory in use. ENERGY: 2195600 3980.2868 20488.0447 14506.4742 255.6753 -203305.2726 2679.0481 0.0000 0.0000 52296.6823 -109099.0612 300.5498 -161395.7435 -108721.9590 300.1301 60.2871 95.9158 760070.3597 1.8452 1.8200 PRESSURE: 2195800 245.826 188.842 11.1772 188.842 -0.483112 57.7284 11.1767 57.7282 -132.204 GPRESSURE: 2195800 257.252 -1.76975 -29.2856 169.984 96.7708 60.7648 98.3755 130.812 -164.45 PRESSAVG: 2195800 -18.2049 43.2957 19.7653 43.2957 5.44525 7.55847 19.7653 7.55844 13.1273 GPRESSAVG: 2195800 -18.6426 42.2457 18.5535 46.5827 5.32074 6.74323 20.4011 5.90704 13.8982 TIMING: 2195800 CPU: 7011.36, 0.00318425/step Wall: 7011.36, 0.00318425/step, 2.48035 hours remaining, 240.039062 MB of memory in use. ENERGY: 2195800 4012.1645 20412.0130 14464.8672 234.7263 -202843.0496 2353.2874 0.0000 0.0000 52217.6546 -109148.3366 300.0956 -161365.9911 -108783.4450 299.4842 37.7132 63.1910 761890.6842 0.1226 0.1921 PRESSURE: 2196000 -177.693 35.3782 -65.8305 35.3782 11.7351 22.2325 -65.8302 22.2336 -102.865 GPRESSURE: 2196000 -146.347 35.224 -76.8196 -76.2936 26.1146 79.8838 10.2727 145.123 -65.4236 PRESSAVG: 2196000 -16.2312 10.7552 35.8516 10.7553 -10.8351 -0.185718 35.8516 -0.185625 17.4714 GPRESSAVG: 2196000 -16.962 10.325 35.6388 9.54307 -10.48 0.129904 34.5592 -0.0741773 17.5907 TIMING: 2196000 CPU: 7011.99, 0.00314194/step Wall: 7011.99, 0.00314194/step, 2.44722 hours remaining, 240.039062 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: 2196000 3980.7041 20426.3895 14462.0468 243.1224 -202847.8257 2343.9946 0.0000 0.0000 52182.2364 -109209.3319 299.8920 -161391.5683 -108848.9307 299.8696 -89.6076 -61.8853 761836.0022 -3.1983 -3.2838 PRESSURE: 2196200 -31.8305 -12.8231 1.95719 -12.8221 -274.417 -74.6746 1.9574 -74.6741 -90.1308 GPRESSURE: 2196200 -16.8507 -59.0942 43.5333 -124.456 -211.563 -3.87473 -51.0596 -100.42 -79.3703 PRESSAVG: 2196200 -10.249 -35.271 44.0943 -35.271 -8.51498 -10.3816 44.0944 -10.3816 5.23788 GPRESSAVG: 2196200 -9.56989 -35.5453 44.6689 -34.7946 -8.97176 -8.84474 44.3727 -8.523 5.74764 TIMING: 2196200 CPU: 7012.62, 0.00316708/step Wall: 7012.62, 0.00316708/step, 2.46662 hours remaining, 240.039062 MB of memory in use. ENERGY: 2196200 3953.0702 20529.6641 14418.8566 253.9605 -203015.6546 2574.4593 0.0000 0.0000 52014.9714 -109270.6724 298.9308 -161285.6438 -108917.3484 299.6979 -132.1262 -102.5947 761448.6785 -4.5087 -4.2647 LDB: ============= START OF LOAD BALANCING ============== 7025.08 LDB: ============== END OF LOAD BALANCING =============== 7025.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7025.08 LDB: ============= START OF LOAD BALANCING ============== 7025.4 LDB: Largest compute 7072 load 0.037757 is 19.3% of average load 0.195211 LDB: Average compute 0.004377 is 2.2% of average load 0.195211 LDB: TIME 7025.4 LOAD: AVG 0.195211 MAX 0.215191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.07 MB LDB: TIME 7025.4 LOAD: AVG 0.195211 MAX 0.215191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.074 MB LDB: TIME 7025.4 LOAD: AVG 0.195211 MAX 0.215191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.074 MB LDB: ============== END OF LOAD BALANCING =============== 7025.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7025.41 PRESSURE: 2196400 173.731 44.8625 2.4128 44.8618 -286.391 415.245 2.41223 415.244 189.935 GPRESSURE: 2196400 118.14 42.6953 -42.293 93.9173 -235.636 401.901 -102.621 383.553 288.861 PRESSAVG: 2196400 9.16994 -30.942 12.8636 -30.9419 -47.3979 2.69861 12.8637 2.6986 0.292457 GPRESSAVG: 2196400 8.37823 -32.1422 13.1465 -30.3848 -45.8671 1.22874 11.7699 1.70095 -0.992621 TIMING: 2196400 CPU: 7013.27, 0.00323791/step Wall: 7013.27, 0.00323791/step, 2.52161 hours remaining, 241.832031 MB of memory in use. ENERGY: 2196400 4088.8995 20375.6395 14488.3144 243.2307 -203414.8899 2813.6388 0.0000 0.0000 52024.5020 -109380.6649 298.9855 -161405.1669 -109021.7188 299.4240 25.7582 57.1216 760982.1581 -12.6452 -12.8272 PRESSURE: 2196600 -226.534 -17.2105 88.6208 -17.2111 124.14 -26.4589 88.62 -26.4581 -21.0842 GPRESSURE: 2196600 -132.907 88.9887 155.378 -17.5503 55.0104 64.1226 113.851 -86.9002 45.2987 PRESSAVG: 2196600 -6.0869 -30.608 33.0138 -30.6079 19.6744 -34.0933 33.0138 -34.0933 18.5801 GPRESSAVG: 2196600 -5.05158 -28.3302 32.0843 -30.3115 18.4218 -33.7867 35.3203 -33.3733 19.4921 TIMING: 2196600 CPU: 7013.91, 0.00317648/step Wall: 7013.91, 0.00317648/step, 2.47359 hours remaining, 242.035156 MB of memory in use. ENERGY: 2196600 4076.4651 20287.1760 14533.4619 240.8547 -203220.0819 2609.0568 0.0000 0.0000 52164.2126 -109308.8548 299.7884 -161473.0674 -108938.0553 299.5135 -41.1594 -10.8660 761898.0320 10.7225 10.9541 PRESSURE: 2196800 -77.393 -121.304 30.3445 -121.304 15.5031 -84.9604 30.3443 -84.9611 340.631 GPRESSURE: 2196800 -43.4872 20.8106 21.0712 37.5819 75.3687 -118.039 -60.4643 -6.01462 319.252 PRESSAVG: 2196800 15.6277 -16.3451 64.4788 -16.3452 0.430033 20.6712 64.4788 20.6713 -7.58308 GPRESSAVG: 2196800 15.4132 -16.9141 64.7268 -16.5461 1.18908 20.6367 63.0186 21.5097 -8.22674 TIMING: 2196800 CPU: 7014.54, 0.00316329/step Wall: 7014.54, 0.00316329/step, 2.46315 hours remaining, 242.035156 MB of memory in use. ENERGY: 2196800 3932.1014 20678.8334 14423.4264 254.4844 -203568.2852 2848.7012 0.0000 0.0000 52064.0217 -109366.7167 299.2126 -161430.7384 -109007.9832 299.3487 92.9138 117.0445 762301.5717 2.8249 2.7918 PRESSURE: 2197000 -259.65 263.219 115.144 263.219 -228.532 78.0799 115.144 78.0796 -177.284 GPRESSURE: 2197000 -187.902 279.712 68.7295 148.711 -230.299 124.561 97.8347 82.8104 -163.597 PRESSAVG: 2197000 -51.8639 22.9059 5.1008 22.906 40.401 -46.716 5.10084 -46.7161 -11.9113 GPRESSAVG: 2197000 -51.3433 23.0868 5.24653 23.4798 40.1986 -46.4395 6.87282 -47.8751 -12.3649 TIMING: 2197000 CPU: 7015.17, 0.00315738/step Wall: 7015.17, 0.00315738/step, 2.45837 hours remaining, 242.035156 MB of memory in use. ENERGY: 2197000 4056.5945 20515.1739 14439.4706 238.2683 -202839.8936 2231.6497 0.0000 0.0000 51883.8027 -109474.9338 298.1769 -161358.7366 -109113.1344 299.1688 -221.8221 -193.9325 763995.9298 -7.7914 -7.8365 PRESSURE: 2197200 99.8872 57.9857 109.167 57.9866 -161.393 -68.9519 109.167 -68.9516 -2.90674 GPRESSURE: 2197200 177.252 6.33508 181.224 -1.55934 -142.264 -66.6051 103.289 -50.218 -3.73938 PRESSAVG: 2197200 -6.54833 -23.0925 -24.3484 -23.0925 20.0172 -15.0623 -24.3483 -15.0623 25.4907 GPRESSAVG: 2197200 -7.89656 -22.2957 -25.9182 -25.1808 19.6401 -14.8702 -24.7002 -15.6333 26.9493 TIMING: 2197200 CPU: 7015.8, 0.00313892/step Wall: 7015.8, 0.00313892/step, 2.44382 hours remaining, 242.035156 MB of memory in use. ENERGY: 2197200 3990.3841 20471.2200 14475.3364 253.5653 -203254.5726 2730.0169 0.0000 0.0000 52180.5935 -109153.4563 299.8826 -161334.0499 -108791.1326 299.4646 -21.4708 10.4165 762682.2615 12.9865 12.8976 PRESSURE: 2197400 153.223 -143.743 -182.671 -143.743 354.993 46.3761 -182.671 46.375 -114.415 GPRESSURE: 2197400 299.008 -69.2354 -162.251 -128.874 316.627 22.5781 -198.312 52.8018 -146.639 PRESSAVG: 2197400 -5.06819 -75.878 -12.205 -75.8779 48.4206 -7.16663 -12.205 -7.16665 3 GPRESSAVG: 2197400 -2.5668 -75.3672 -10.8697 -76.5422 46.1832 -8.07265 -12.416 -5.87467 1.99561 TIMING: 2197400 CPU: 7016.42, 0.00313561/step Wall: 7016.42, 0.00313561/step, 2.44107 hours remaining, 242.035156 MB of memory in use. ENERGY: 2197400 3988.2642 20474.8700 14520.9671 235.9524 -203468.8617 3054.6846 0.0000 0.0000 52144.6457 -109049.4778 299.6760 -161194.1235 -108687.7158 299.6644 131.2670 156.3321 762628.7742 15.4508 15.2040 PRESSURE: 2197600 -418.291 98.7401 -80.7932 98.7398 -154.219 -65.7959 -80.7934 -65.7948 -262.071 GPRESSURE: 2197600 -376.813 87.7592 -98.961 35.2945 -122.018 86.0439 -40.8657 -38.0948 -257.756 PRESSAVG: 2197600 1.01238 -38.1467 12.0429 -38.1467 -25.5535 -53.9385 12.0429 -53.9384 3.58264 GPRESSAVG: 2197600 -1.4332 -39.8299 12.5093 -36.3808 -23.7095 -53.1096 9.59683 -55.9688 4.17096 TIMING: 2197600 CPU: 7017.06, 0.00318694/step Wall: 7017.06, 0.00318694/step, 2.48086 hours remaining, 242.035156 MB of memory in use. ENERGY: 2197600 4022.0115 20818.8043 14499.9796 229.7165 -202898.2803 2313.8113 0.0000 0.0000 52044.1715 -108969.7856 299.0986 -161013.9570 -108606.7240 300.3005 -278.1936 -252.1959 762465.1769 -6.9862 -6.9906 PRESSURE: 2197800 -58.7022 -9.85017 83.4166 -9.84958 40.188 -55.4442 83.4165 -55.4441 -175.575 GPRESSURE: 2197800 14.1428 -0.204686 47.6041 -34.4875 57.2313 3.52525 -10.54 -132.263 -179.423 PRESSAVG: 2197800 65.4757 -7.67672 -12.2325 -7.67673 -12.6154 -23.0655 -12.2324 -23.0655 29.2819 GPRESSAVG: 2197800 64.6322 -6.73484 -12.1814 -9.3607 -12.9389 -23.4703 -11.2525 -22.566 30.0764 TIMING: 2197800 CPU: 7017.7, 0.00316653/step Wall: 7017.7, 0.00316653/step, 2.46479 hours remaining, 242.035156 MB of memory in use. ENERGY: 2197800 4051.4494 20504.8878 14467.2258 219.3158 -202856.2349 2547.1189 0.0000 0.0000 52133.6545 -108932.5826 299.6128 -161066.2371 -108565.1815 300.1246 -64.6964 -36.0164 763232.0110 27.3807 27.2566 PRESSURE: 2198000 -43.0053 130.806 -170.519 130.806 -174.868 85.1354 -170.519 85.1359 -21.2702 GPRESSURE: 2198000 -35.6419 241.428 -166.926 127.669 -50.4672 109.403 -169.456 35.6219 -70.369 PRESSAVG: 2198000 10.5472 -7.54624 13.3138 -7.54616 -33.4387 -16.4442 13.3138 -16.4441 -9.14244 GPRESSAVG: 2198000 12.3194 -7.53923 13.0692 -5.70421 -32.8844 -18.2336 13.489 -14.87 -11.0256 TIMING: 2198000 CPU: 7018.33, 0.00315977/step Wall: 7018.33, 0.00315977/step, 2.45936 hours remaining, 242.035156 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: 2198000 3975.8130 20510.9055 14540.0589 240.0000 -203057.0374 2748.0622 0.0000 0.0000 52110.6794 -108931.5184 299.4808 -161042.1978 -108576.1349 299.7472 -79.7146 -52.1594 762144.6412 -10.6780 -10.5302 PRESSURE: 2198200 -44.2268 -152.701 22.6897 -152.702 13.8321 151.88 22.6903 151.878 -19.8099 GPRESSURE: 2198200 -21.527 -240.079 -67.1121 -208.758 38.5027 159.125 -54.5409 220.554 15.1899 PRESSAVG: 2198200 41.888 -22.8968 -29.8506 -22.8967 -90.402 -32.3598 -29.8507 -32.3598 -3.04485 GPRESSAVG: 2198200 41.4784 -23.2135 -30.4873 -23.9163 -90.7783 -29.3869 -29.681 -32.6514 -1.87149 TIMING: 2198200 CPU: 7018.96, 0.00316575/step Wall: 7018.96, 0.00316575/step, 2.46383 hours remaining, 242.035156 MB of memory in use. ENERGY: 2198200 3974.6625 20646.0502 14475.3561 249.2817 -203122.9516 2578.9098 0.0000 0.0000 52193.4570 -109005.2343 299.9565 -161198.6913 -108655.1208 300.4968 -16.7348 10.7219 762893.6806 -17.1863 -17.0571 PRESSURE: 2198400 73.7743 49.5746 53.6536 49.5757 -73.9892 131.806 53.6544 131.806 -157.382 GPRESSURE: 2198400 43.2467 113.256 151.101 -0.456171 12.1081 129.834 87.6023 119.043 -119.963 PRESSAVG: 2198400 40.8613 -41.4256 8.65542 -41.4257 -46.3586 7.18071 8.65538 7.18068 -11.2981 GPRESSAVG: 2198400 41.2345 -41.8742 9.96003 -42.6516 -46.6421 5.41677 7.01545 7.29869 -11.3727 TIMING: 2198400 CPU: 7019.59, 0.00315898/step Wall: 7019.59, 0.00315898/step, 2.45839 hours remaining, 242.035156 MB of memory in use. ENERGY: 2198400 4091.6376 20540.3090 14367.8686 266.2857 -203648.4303 2869.4381 0.0000 0.0000 52321.7127 -109191.1786 300.6936 -161512.8913 -108826.4000 299.5504 -52.5323 -21.5359 762738.3930 -5.5985 -5.5934 PRESSURE: 2198600 402.965 -220.876 -51.2515 -220.876 -114.913 -128.654 -51.2514 -128.653 11.5628 GPRESSURE: 2198600 467.19 -191.66 -106.98 -269.792 -85.9752 -110.561 148.481 -148.298 0.704629 PRESSAVG: 2198600 59.4858 -64.7196 63.6115 -64.7195 -63.2839 -9.49247 63.6115 -9.49246 12.6297 GPRESSAVG: 2198600 59.8026 -65.0145 63.1564 -64.6512 -62.9157 -9.31247 64.6227 -10.8431 12.1778 TIMING: 2198600 CPU: 7020.22, 0.00315066/step Wall: 7020.22, 0.00315066/step, 2.45174 hours remaining, 242.035156 MB of memory in use. ENERGY: 2198600 3941.3838 20544.1838 14401.8588 240.0463 -203350.8587 2796.0874 0.0000 0.0000 52095.2419 -109332.0568 299.3921 -161427.2986 -108960.2218 299.4128 99.8718 127.3065 761622.6102 2.9439 3.0216 PRESSURE: 2198800 201.149 -187.564 24.8572 -187.565 77.0391 17.6711 24.8569 17.6716 -123.207 GPRESSURE: 2198800 283.171 -167.603 34.08 -178.701 102.917 46.0072 -26.4159 49.3138 -131.84 PRESSAVG: 2198800 50.8051 -63.3938 32.7079 -63.3937 -11.7716 -62.9289 32.7078 -62.9288 5.22114 GPRESSAVG: 2198800 51.5291 -65.4523 32.4333 -60.4327 -12.0279 -63.1045 34.1474 -58.3401 5.62952 TIMING: 2198800 CPU: 7020.85, 0.00314437/step Wall: 7020.85, 0.00314437/step, 2.44667 hours remaining, 242.035156 MB of memory in use. ENERGY: 2198800 3933.2876 20649.3338 14528.9959 246.1219 -203401.9219 2654.3161 0.0000 0.0000 52197.1965 -109192.6702 299.9780 -161389.8667 -108830.8792 299.1187 51.6603 84.7496 761453.0517 14.7516 15.0436 PRESSURE: 2199000 172.269 -195.114 -259.329 -195.114 -117.566 -83.6712 -259.329 -83.6705 502.595 GPRESSURE: 2199000 168.245 -191.561 -127.441 -164.439 -7.90589 -110.681 -281.387 -130.904 488.027 PRESSAVG: 2199000 -16.6746 -81.2259 7.29632 -81.2259 19.2556 -63.8929 7.29637 -63.8929 14.6433 GPRESSAVG: 2199000 -17.6134 -80.1904 7.71195 -80.4336 20.1732 -64.563 5.70756 -65.0652 14.1618 TIMING: 2199000 CPU: 7021.48, 0.00316701/step Wall: 7021.48, 0.00316701/step, 2.46411 hours remaining, 242.035156 MB of memory in use. ENERGY: 2199000 3950.6878 20535.2899 14477.6155 232.4245 -203423.5808 2821.7572 0.0000 0.0000 51966.1210 -109439.6850 298.6500 -161405.8060 -109071.7518 299.4942 185.7659 216.1220 763015.5880 5.7414 5.5739 PRESSURE: 2199200 -41.9686 -136.862 68.6427 -136.862 86.9803 -176.842 68.6429 -176.842 -143.979 GPRESSURE: 2199200 58.1375 -138.605 86.0456 -177.657 62.9755 -150.687 95.6772 -234.171 -136.621 PRESSAVG: 2199200 33.6261 -71.2422 33.3094 -71.2423 1.25001 -13.8305 33.3094 -13.8305 3.93229 GPRESSAVG: 2199200 32.4315 -69.4718 33.9944 -72.8178 1.45715 -12.4691 32.7661 -15.5747 5.30143 TIMING: 2199200 CPU: 7022.12, 0.00316765/step Wall: 7022.12, 0.00316765/step, 2.46443 hours remaining, 242.035156 MB of memory in use. ENERGY: 2199200 4054.6937 20420.3200 14515.0102 247.6840 -203318.2969 2777.3622 0.0000 0.0000 51956.0040 -109347.2229 298.5919 -161303.2269 -108990.0986 299.2337 -32.9892 -5.1694 762051.4695 12.9361 13.0634 PRESSURE: 2199400 -226.248 -196.812 -101.29 -196.813 -6.45122 -117.698 -101.291 -117.698 139.208 GPRESSURE: 2199400 -141.98 -162.098 -249.119 -284.739 38.8112 -109.544 -112.288 -182.194 103.536 PRESSAVG: 2199400 -4.1978 -39.9303 35.4475 -39.9303 15.6366 -34.2532 35.4475 -34.2532 0.216356 GPRESSAVG: 2199400 -3.04542 -41.0224 34.6493 -41.1344 14.2165 -35.2702 33.9181 -32.6914 0.155665 TIMING: 2199400 CPU: 7022.75, 0.00317087/step Wall: 7022.75, 0.00317087/step, 2.46676 hours remaining, 242.035156 MB of memory in use. ENERGY: 2199400 3979.9311 20520.3540 14441.1402 252.9792 -203265.2770 2583.5464 0.0000 0.0000 52145.4529 -109341.8732 299.6806 -161487.3261 -108978.5194 299.4002 -31.1637 0.1224 764088.7042 3.8850 3.7756 PRESSURE: 2199600 -237.346 6.37439 10.7213 6.37336 -30.2485 -220.059 10.7207 -220.059 -82.2454 GPRESSURE: 2199600 -128.167 127.837 59.2402 -86.793 -34.0624 -235.655 -3.37783 -260.936 -90.2566 PRESSAVG: 2199600 -14.0354 33.0292 47.8329 33.0292 30.8567 12.7784 47.8329 12.7784 0.531961 GPRESSAVG: 2199600 -14.0589 33.9142 46.0682 34.7445 32.1362 11.9286 48.702 11.8637 -0.0633948 TIMING: 2199600 CPU: 7023.38, 0.00316407/step Wall: 7023.38, 0.00316407/step, 2.46129 hours remaining, 242.035156 MB of memory in use. ENERGY: 2199600 3996.3319 20557.8038 14480.2618 246.2631 -203106.5469 2525.5968 0.0000 0.0000 51928.5821 -109371.7074 298.4343 -161300.2895 -109002.1170 299.1396 -116.6133 -84.1621 763953.6663 5.7844 6.0046 PRESSURE: 2199800 11.2577 247.526 37.9615 247.526 41.2906 -138.123 37.9615 -138.124 -83.1763 GPRESSURE: 2199800 19.9615 81.9605 51.6918 222.093 73.6985 -180.896 -22.0424 -95.7615 -43.7428 PRESSAVG: 2199800 -27.0663 31.3315 50.4146 31.3315 -32.3411 -33.4494 50.4146 -33.4493 -6.00773 GPRESSAVG: 2199800 -26.8141 29.6702 51.8631 32.0953 -31.8648 -33.0575 51.5635 -33.0738 -6.2892 TIMING: 2199800 CPU: 7024.02, 0.00317202/step Wall: 7024.02, 0.00317202/step, 2.4673 hours remaining, 242.035156 MB of memory in use. ENERGY: 2199800 3986.4196 20488.1970 14497.2218 258.0143 -203615.1197 2874.8051 0.0000 0.0000 52255.6845 -109254.7773 300.3141 -161510.4618 -108885.2714 299.4681 -10.2093 16.6391 761381.5271 -21.8051 -21.6560 WRITING COORDINATES TO DCD FILE MD.2.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 8.15949 156.461 -53.4145 156.461 -95.2911 134.588 -53.4139 134.587 20.7515 GPRESSURE: 2200000 23.3578 84.8848 -39.6511 52.815 -61.7125 155.772 -41.5827 112.353 57.2993 PRESSAVG: 2200000 -15.4503 -4.93741 13.4054 -4.93745 2.42511 -24.5868 13.4054 -24.5868 -8.15057 GPRESSAVG: 2200000 -15.0343 -5.15287 13.8083 -7.10867 1.55096 -23.2427 12.3004 -25.5974 -7.89825 TIMING: 2200000 CPU: 7024.67, 0.00326983/step Wall: 7024.67, 0.00326983/step, 2.5432 hours remaining, 242.160156 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: 2200000 3963.1314 20704.4276 14447.0904 239.0454 -203156.7170 2579.1619 0.0000 0.0000 52013.5881 -109210.2722 298.9228 -161223.8603 -108843.5670 299.2463 -22.1267 6.3149 765011.2978 -7.0586 -7.1272 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 PRESSURE: 2200200 -78.2764 44.1929 93.084 44.1927 31.4046 -119.349 93.0834 -119.347 -704.76 GPRESSURE: 2200200 23.1979 41.1899 56.972 72.1368 16.1291 -134.408 42.3338 -271.343 -705.767 PRESSAVG: 2200200 26.5928 8.55876 34.752 8.55874 -13.4148 -6.55267 34.752 -6.55264 4.53714 GPRESSAVG: 2200200 26.8784 10.2378 34.1873 9.83851 -13.5469 -5.99856 34.6053 -5.80486 4.07624 TIMING: 2200200 CPU: 7025.31, 0.00320137/step Wall: 7025.31, 0.00320137/step, 2.48978 hours remaining, 242.160156 MB of memory in use. ENERGY: 2200200 4000.7181 20743.2736 14455.3998 237.3389 -203162.5916 2597.4787 0.0000 0.0000 52201.1905 -108927.1919 300.0010 -161128.3825 -108565.7217 299.6905 -250.5440 -222.1466 762789.2258 5.9051 5.8026 LDB: ============= START OF LOAD BALANCING ============== 7037.77 LDB: ============== END OF LOAD BALANCING =============== 7037.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7037.77 LDB: ============= START OF LOAD BALANCING ============== 7038.09 LDB: Largest compute 7026 load 0.037029 is 19.0% of average load 0.195341 LDB: Average compute 0.004370 is 2.2% of average load 0.195341 LDB: TIME 7038.09 LOAD: AVG 0.195341 MAX 0.21745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7038.09 LOAD: AVG 0.195341 MAX 0.21745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 7038.09 LOAD: AVG 0.195341 MAX 0.21745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 7038.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7038.1 PRESSURE: 2200400 -171.826 4.03336 92.9178 4.03318 5.99299 243.022 92.9178 243.023 281.995 GPRESSURE: 2200400 -110.978 36.1098 68.5107 48.5949 91.1784 353.666 149.259 96.9311 207.791 PRESSAVG: 2200400 83.0694 -54.0017 62.912 -54.0017 -50.8745 -4.83381 62.912 -4.83385 -15.1278 GPRESSAVG: 2200400 82.0289 -56.923 63.7446 -52.7501 -49.9392 -5.75249 61.6497 -6.69774 -14.9466 TIMING: 2200400 CPU: 7025.96, 0.00323858/step Wall: 7025.96, 0.00323858/step, 2.51853 hours remaining, 240.550781 MB of memory in use. ENERGY: 2200400 3993.9293 20598.4533 14487.9850 237.3115 -202853.5315 2406.5826 0.0000 0.0000 51996.8574 -109132.4124 298.8267 -161129.2698 -108767.0526 299.7066 38.7206 62.6638 762094.7965 5.6890 5.7144 PRESSURE: 2200600 -171.037 12.4947 -346.381 12.4941 8.87045 -14.6615 -346.381 -14.6617 -302.966 GPRESSURE: 2200600 -123.971 -69.4953 -346.913 68.0352 26.8655 -27.75 -253.681 -43.2293 -283.75 PRESSAVG: 2200600 -12.4896 -46.4261 13.9131 -46.4261 42.957 -28.6763 13.9131 -28.6762 15.9462 GPRESSAVG: 2200600 -11.9188 -45.4437 13.0844 -48.2302 42.0656 -27.7627 16.3171 -28.3235 16.2746 TIMING: 2200600 CPU: 7026.59, 0.00315017/step Wall: 7026.59, 0.00315017/step, 2.4496 hours remaining, 240.753906 MB of memory in use. ENERGY: 2200600 4061.9182 20680.9347 14477.0590 265.7380 -203108.4335 2588.2404 0.0000 0.0000 52001.1030 -109033.4401 298.8511 -161034.5431 -108669.0355 299.3538 -155.0442 -126.9515 761740.3905 15.4712 15.4738 PRESSURE: 2200800 18.3036 92.6275 -55.8462 92.6278 35.1984 -116.876 -55.8471 -116.877 -199.225 GPRESSURE: 2200800 97.2001 63.5276 55.5029 -21.805 2.83064 -153.15 -51.308 -30.7759 -185.029 PRESSAVG: 2200800 75.6172 0.617923 23.2135 0.618011 -43.2914 -45.152 23.2135 -45.1521 -28.5182 GPRESSAVG: 2200800 75.6199 2.10831 24.1913 -1.32079 -43.2165 -45.446 22.4492 -44.9611 -28.4383 TIMING: 2200800 CPU: 7027.22, 0.00316453/step Wall: 7027.22, 0.00316453/step, 2.4606 hours remaining, 240.753906 MB of memory in use. ENERGY: 2200800 4018.9714 20499.1910 14589.8936 277.5615 -203082.5417 2680.3897 0.0000 0.0000 52145.6674 -108870.8671 299.6819 -161016.5344 -108503.5250 299.7072 -48.5742 -28.3329 761979.2886 1.2692 1.3217 PRESSURE: 2201000 216.212 -210.13 39.2731 -210.13 72.2743 -150.981 39.2737 -150.983 150.603 GPRESSURE: 2201000 128.919 -227.81 53.1512 -196.801 269.169 -196.959 -2.75068 -3.35501 139.798 PRESSAVG: 2201000 84.4769 -38.1966 5.23607 -38.1966 -97.3966 8.9801 5.23614 8.98008 -8.86848 GPRESSAVG: 2201000 84.2817 -38.5334 3.52603 -36.5114 -96.5909 8.55895 7.4658 9.53348 -9.62687 TIMING: 2201000 CPU: 7027.86, 0.0031845/step Wall: 7027.86, 0.0031845/step, 2.47595 hours remaining, 240.753906 MB of memory in use. ENERGY: 2201000 4063.2942 20568.8276 14543.6535 242.1925 -203670.0063 3113.9189 0.0000 0.0000 52246.1917 -108891.9280 300.2596 -161138.1197 -108540.6505 299.7962 146.3631 179.2955 761457.6171 -7.2627 -7.3120 PRESSURE: 2201200 183.883 -26.7586 -100.372 -26.7585 -26.8825 -343.94 -100.371 -343.939 325.098 GPRESSURE: 2201200 174.727 55.4109 3.39612 -111.618 31.8404 -407.897 -87.3829 -317.633 355.132 PRESSAVG: 2201200 69.2644 -8.68427 29.1297 -8.68423 -87.5877 -30.914 29.1296 -30.9141 4.90093 GPRESSAVG: 2201200 68.9497 -9.88276 30.2765 -8.38349 -87.8271 -31.5236 28.5042 -31.5731 5.61815 TIMING: 2201200 CPU: 7028.49, 0.0031549/step Wall: 7028.49, 0.0031549/step, 2.45276 hours remaining, 240.753906 MB of memory in use. ENERGY: 2201200 4007.2784 20626.6500 14459.9616 256.2355 -203171.4514 2674.5799 0.0000 0.0000 52407.1868 -108739.5591 301.1848 -161146.7459 -108377.6056 300.9196 160.6992 187.2332 760771.4157 -4.4741 -4.4198 PRESSURE: 2201400 164.778 -84.7006 -55.0036 -84.6996 243.774 92.1341 -55.0044 92.134 342.565 GPRESSURE: 2201400 186.707 -214.287 -52.3966 -166.863 340.582 17.4243 -17.0302 141.896 315.657 PRESSAVG: 2201400 16.5777 6.0475 50.8646 6.04751 -3.85659 -65.5282 50.8646 -65.5282 -6.31996 GPRESSAVG: 2201400 17.2111 6.00531 50.3183 4.59033 -4.40081 -64.0581 51.3856 -65.52 -6.09628 TIMING: 2201400 CPU: 7029.12, 0.00315941/step Wall: 7029.12, 0.00315941/step, 2.45609 hours remaining, 240.753906 MB of memory in use. ENERGY: 2201400 3930.6223 20568.3565 14416.1065 240.7494 -203317.2146 2829.3667 0.0000 0.0000 52414.3805 -108917.6328 301.2262 -161332.0133 -108555.0196 300.5433 250.3722 280.9821 761573.9505 2.1337 2.2380 PRESSURE: 2201600 -51.0033 -114.794 84.9859 -114.794 -194.267 -66.1219 84.9854 -66.1219 -252.345 GPRESSURE: 2201600 -84.8119 -173.012 59.2988 -103.365 -99.438 -73.2705 162.704 -83.8921 -220.984 PRESSAVG: 2201600 47.8373 -33.3054 -0.442665 -33.3053 -46.9207 7.38786 -0.442713 7.38792 11.5695 GPRESSAVG: 2201600 47.6625 -31.9518 0.233722 -32.3356 -45.7625 6.21509 -3.11959 8.01766 11.1094 TIMING: 2201600 CPU: 7029.76, 0.00317222/step Wall: 7029.76, 0.00317222/step, 2.46587 hours remaining, 240.753906 MB of memory in use. ENERGY: 2201600 4020.4340 20524.1676 14519.1897 242.2964 -203016.4817 2518.6155 0.0000 0.0000 52179.7713 -109012.0073 299.8779 -161191.7786 -108650.8780 299.8602 -165.8720 -135.0779 763318.0756 4.1620 4.3364 PRESSURE: 2201800 152.222 58.8876 210.003 58.8867 0.678966 -69.9286 210.003 -69.9277 -17.1042 GPRESSURE: 2201800 110.073 23.224 291.868 4.41011 30.285 -63.1172 24.1609 -55.4009 66.9774 PRESSAVG: 2201800 27.5369 -35.7277 19.201 -35.7277 -21.4334 -9.03303 19.201 -9.0331 6.26675 GPRESSAVG: 2201800 27.2934 -35.0514 19.1213 -37.5972 -22.5119 -8.0141 21.5068 -9.95439 7.22701 TIMING: 2201800 CPU: 7030.39, 0.00317867/step Wall: 7030.39, 0.00317867/step, 2.47071 hours remaining, 240.753906 MB of memory in use. ENERGY: 2201800 3967.5780 20422.6295 14420.8867 231.7723 -203049.9338 2483.5258 0.0000 0.0000 52471.0598 -109052.4818 301.5519 -161523.5416 -108680.6929 300.2018 45.2657 69.1119 761348.2595 4.1234 4.0028 PRESSURE: 2202000 -142.056 60.0114 62.0529 60.0124 -225.03 -129.089 62.053 -129.091 -309.521 GPRESSURE: 2202000 -97.685 -48.4807 41.231 3.28799 -222.128 -133.697 8.39463 -69.8706 -292.453 PRESSAVG: 2202000 59.8484 3.41907 30.8545 3.41908 -40.6938 -13.3565 30.8545 -13.3565 12.5435 GPRESSAVG: 2202000 58.5869 2.44044 30.1711 4.96937 -40.1767 -14.6573 28.8067 -11.8027 12.9147 TIMING: 2202000 CPU: 7031.03, 0.00318669/step Wall: 7031.03, 0.00318669/step, 2.47676 hours remaining, 240.753906 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: 2202000 3880.6791 20612.6775 14401.3859 235.7648 -203056.6841 2493.8432 0.0000 0.0000 52355.9356 -109076.3982 300.8903 -161432.3337 -108720.4997 300.5038 -225.5359 -204.0887 762627.7342 10.5661 10.4417 PRESSURE: 2202200 46.3826 -31.2102 100.074 -31.2109 -20.4408 -37.7438 100.074 -37.7428 69.36 GPRESSURE: 2202200 110.186 -61.5341 25.8753 -29.5689 -63.3295 -49.5894 148.102 -106.738 125.515 PRESSAVG: 2202200 -41.4524 -28.721 11.553 -28.721 15.4674 -16.7607 11.5531 -16.7607 12.997 GPRESSAVG: 2202200 -42.398 -30.0267 11.2869 -27.7271 15.411 -15.2654 13.5321 -18.3803 13.702 TIMING: 2202200 CPU: 7031.67, 0.00317903/step Wall: 7031.67, 0.00317903/step, 2.47064 hours remaining, 240.753906 MB of memory in use. ENERGY: 2202200 4011.8836 20509.4584 14387.1454 240.7076 -202970.8221 2423.9278 0.0000 0.0000 52198.3205 -109199.3789 299.9845 -161397.6993 -108834.9031 299.4976 31.7672 57.4570 761469.9898 -4.3293 -4.4283 PRESSURE: 2202400 -100.672 -101.598 -75.9 -101.597 86.335 -48.1354 -75.9003 -48.1364 261.554 GPRESSURE: 2202400 -72.7761 -84.7669 -43.0401 -112.711 117.955 -57.0287 -144.664 -52.647 278.912 PRESSAVG: 2202400 29.0103 30.8726 62.2569 30.8725 -81.5245 -14.3721 62.2569 -14.372 0.217828 GPRESSAVG: 2202400 30.8008 32.8502 62.64 29.8864 -81.7991 -14.1903 62.6186 -14.685 -1.13684 TIMING: 2202400 CPU: 7032.3, 0.00317238/step Wall: 7032.3, 0.00317238/step, 2.46529 hours remaining, 240.753906 MB of memory in use. ENERGY: 2202400 3941.3849 20457.3130 14483.1705 244.2872 -203407.0871 2841.0043 0.0000 0.0000 52215.8281 -109224.0990 300.0851 -161439.9271 -108867.2268 299.4858 82.4057 108.0304 763407.2037 -17.4321 -17.3784 PRESSURE: 2202600 -74.1983 -99.9054 -54.8004 -99.9052 -126.327 -62.8933 -54.7998 -62.8926 -459.544 GPRESSURE: 2202600 -80.8358 -69.437 -97.8093 -20.2473 -73.7716 -68.1559 -92.9552 -105.275 -418.784 PRESSAVG: 2202600 57.8211 5.46795 -16.3148 5.4679 -13.2118 -26.2159 -16.3148 -26.216 1.66116 GPRESSAVG: 2202600 56.3905 3.35925 -15.662 5.57108 -11.5303 -28.0397 -17.9166 -25.1018 1.23619 TIMING: 2202600 CPU: 7032.94, 0.00318876/step Wall: 7032.94, 0.00318876/step, 2.47784 hours remaining, 240.753906 MB of memory in use. ENERGY: 2202600 4078.8955 20484.7809 14432.1311 245.5889 -203233.3155 2662.5213 0.0000 0.0000 52201.1898 -109128.2080 300.0010 -161329.3978 -108778.5848 299.7637 -220.0232 -191.1305 762105.9213 15.4235 15.3655 PRESSURE: 2202800 -133.424 105.901 82.3551 105.902 86.758 -39.9487 82.3549 -39.9491 126.647 GPRESSURE: 2202800 -26.3218 84.2744 57.2092 127.404 39.9261 -73.2294 83.983 -8.58847 153.878 PRESSAVG: 2202800 10.0324 -3.67961 -3.90515 -3.67958 3.40037 -78.1235 -3.90519 -78.1235 -13.3268 GPRESSAVG: 2202800 11.7446 -4.85526 -2.84571 -2.53419 2.0178 -77.1359 -3.88269 -77.147 -12.6171 TIMING: 2202800 CPU: 7033.57, 0.00317573/step Wall: 7033.57, 0.00317573/step, 2.46754 hours remaining, 240.753906 MB of memory in use. ENERGY: 2202800 3983.1251 20418.5458 14490.1409 251.9587 -203489.6584 3014.9057 0.0000 0.0000 52368.7061 -108962.2762 300.9637 -161330.9823 -108608.5396 299.7988 26.6604 55.8275 762666.0319 0.0353 0.3818 PRESSURE: 2203000 340.557 20.2331 154.111 20.2345 408.068 23.0411 154.111 23.0415 405.778 GPRESSURE: 2203000 343.591 16.528 97.9344 140.608 497.735 60.9929 114.186 149.492 388.454 PRESSAVG: 2203000 -10.2822 24.6759 -7.60239 24.6759 35.6885 -49.7412 -7.60237 -49.7412 0.625061 GPRESSAVG: 2203000 -11.4419 26.2414 -7.85 24.4317 35.4404 -49.9243 -7.18889 -50.9702 2.05261 TIMING: 2203000 CPU: 7034.21, 0.00317731/step Wall: 7034.21, 0.00317731/step, 2.46859 hours remaining, 240.753906 MB of memory in use. ENERGY: 2203000 3913.2020 20445.9584 14539.1431 244.6416 -203355.2464 2930.9612 0.0000 0.0000 52041.1276 -109240.2126 299.0811 -161281.3402 -108878.7056 299.8473 384.8013 409.9267 762897.8181 8.6771 8.6837 PRESSURE: 2203200 132.6 -71.4736 -12.8027 -71.4736 178.894 136.54 -12.8025 136.541 413.345 GPRESSURE: 2203200 208.191 41.6955 -54.9935 -79.1909 254.268 95.6396 91.3173 86.5644 342.736 PRESSAVG: 2203200 29.2642 -4.71354 -9.6028 -4.71344 -12.612 -16.9315 -9.60287 -16.9315 -8.33231 GPRESSAVG: 2203200 28.4769 -5.04492 -10.3721 -4.57136 -11.2759 -14.653 -9.89682 -15.8726 -9.07409 TIMING: 2203200 CPU: 7034.84, 0.00316864/step Wall: 7034.84, 0.00316864/step, 2.46168 hours remaining, 240.753906 MB of memory in use. ENERGY: 2203200 3962.8371 20333.0661 14499.1200 228.1365 -203420.7970 2972.3415 0.0000 0.0000 52132.7365 -109292.5593 299.6076 -161425.2958 -108937.4823 299.7233 241.6131 268.3984 762432.7207 2.7733 2.7090 PRESSURE: 2203400 111.527 -4.04558 51.5631 -4.0454 -114.505 -46.536 51.5632 -46.5355 -240.903 GPRESSURE: 2203400 203.789 -82.9765 17.7582 18.436 -119.239 -82.3563 57.3151 -130.61 -243.629 PRESSAVG: 2203400 20.947 -11.2085 -12.9917 -11.2085 -11.026 -17.992 -12.9916 -17.992 12.0933 GPRESSAVG: 2203400 21.2924 -11.7499 -14.1879 -11.5051 -11.5177 -18.1568 -11.1644 -18.8861 12.3982 TIMING: 2203400 CPU: 7035.48, 0.00318126/step Wall: 7035.48, 0.00318126/step, 2.47131 hours remaining, 240.753906 MB of memory in use. ENERGY: 2203400 4073.2475 20468.0121 14527.4032 238.5694 -203377.2078 2610.6461 0.0000 0.0000 52085.4042 -109373.9251 299.3355 -161459.3293 -109017.5355 299.6069 -81.2939 -53.0263 761887.6404 7.3381 7.3910 PRESSURE: 2203600 34.3829 -14.6086 46.4086 -14.6095 -97.4034 78.6838 46.4086 78.6841 -235.855 GPRESSURE: 2203600 133.771 -52.0441 12.7711 43.739 -96.9617 98.9104 43.526 118.998 -249.216 PRESSAVG: 2203600 13.6584 -8.45456 7.15931 -8.45459 -35.9735 -23.8987 7.15935 -23.8987 -6.62394 GPRESSAVG: 2203600 13.1314 -8.75017 8.08179 -9.06623 -34.8214 -26.31 6.17438 -23.424 -7.16097 TIMING: 2203600 CPU: 7036.12, 0.00317686/step Wall: 7036.12, 0.00317686/step, 2.46771 hours remaining, 240.753906 MB of memory in use. ENERGY: 2203600 3964.3347 20442.5517 14377.4696 262.3419 -202812.8168 2360.6097 0.0000 0.0000 51974.8836 -109430.6256 298.7004 -161405.5093 -109072.1424 298.9916 -99.6250 -70.8025 762214.3109 -9.6464 -9.6170 PRESSURE: 2203800 -38.7324 -119.604 204.823 -119.604 290.755 110.746 204.822 110.745 449.176 GPRESSURE: 2203800 76.1527 -225.829 277.842 -137.995 260.738 101.966 135.879 256.041 447.51 PRESSAVG: 2203800 24.2868 -27.7709 9.15293 -27.7709 -10.8762 -47.5694 9.15294 -47.5694 2.48215 GPRESSAVG: 2203800 25.8694 -26.3962 8.68031 -27.8895 -11.4404 -48.5165 9.22322 -47.2533 2.38053 TIMING: 2203800 CPU: 7036.75, 0.00315603/step Wall: 7036.75, 0.00315603/step, 2.45136 hours remaining, 240.753906 MB of memory in use. ENERGY: 2203800 3957.8284 20591.8195 14406.9699 258.8258 -203123.9339 2717.8033 0.0000 0.0000 51928.8219 -109261.8650 298.4357 -161190.6869 -108905.3219 299.4595 233.7326 261.4669 761931.7769 5.2976 5.6032 PRESSURE: 2204000 -616.918 -17.1851 211.256 -17.1847 -373.487 14.1839 211.255 14.1843 -201.997 GPRESSURE: 2204000 -504.15 17.3043 324.978 -53.2761 -344.863 -26.7081 102.656 -39.356 -263.538 PRESSAVG: 2204000 -3.32507 32.9318 41.3399 32.9319 -14.0528 8.07883 41.3399 8.07889 7.40409 GPRESSAVG: 2204000 -3.35552 30.4172 42.6177 33.6426 -14.7591 10.2675 37.3507 7.2458 8.0873 TIMING: 2204000 CPU: 7037.38, 0.00316155/step Wall: 7037.38, 0.00316155/step, 2.45547 hours remaining, 240.753906 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: 2204000 4060.8937 20552.0915 14422.6118 248.0006 -202577.8331 2157.2191 0.0000 0.0000 52005.8634 -109131.1530 298.8784 -161137.0164 -108769.9667 299.5591 -397.4671 -370.8501 763085.6863 -3.3246 -3.3424 PRESSURE: 2204200 -110.417 -2.18656 -159.645 -2.18671 181.758 -159.141 -159.644 -159.142 94.7675 GPRESSURE: 2204200 -23.3772 9.04568 -147.883 -47.0394 193.206 -85.3286 -166.21 -66.363 85.6833 PRESSAVG: 2204200 0.19792 -1.02686 -3.83988 -1.02682 60.9288 -3.71283 -3.83986 -3.71278 -1.56163 GPRESSAVG: 2204200 -0.472071 0.97531 -3.25657 -1.96378 61.6802 -4.20018 0.0652999 -1.54323 -1.51082 TIMING: 2204200 CPU: 7038.01, 0.00316352/step Wall: 7038.01, 0.00316352/step, 2.45683 hours remaining, 240.753906 MB of memory in use. ENERGY: 2204200 4037.1445 20416.6624 14477.7671 233.9374 -202918.5923 2475.9982 0.0000 0.0000 52100.4408 -109176.6418 299.4219 -161277.0826 -108811.2042 299.7911 55.3698 85.1705 763055.9177 19.8550 19.8991 LDB: ============= START OF LOAD BALANCING ============== 7050.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7050.46 LDB: =============== DONE WITH MIGRATION ================ 7050.47 LDB: ============= START OF LOAD BALANCING ============== 7050.79 LDB: Largest compute 7075 load 0.036563 is 18.7% of average load 0.195134 LDB: Average compute 0.004394 is 2.3% of average load 0.195134 LDB: TIME 7050.79 LOAD: AVG 0.195134 MAX 0.216454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 7050.79 LOAD: AVG 0.195134 MAX 0.216454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 7050.79 LOAD: AVG 0.195134 MAX 0.216454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 7050.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7050.8 PRESSURE: 2204400 -113.8 -124.453 85.5341 -124.452 54.7333 -71.9551 85.5342 -71.9544 -115.795 GPRESSURE: 2204400 -153.665 -146.143 162.76 -37.5269 105.867 -4.46506 -96.2065 -69.926 -35.5487 PRESSAVG: 2204400 8.82553 25.4382 0.431748 25.4382 4.57581 46.2013 0.431732 46.2012 -2.9588 GPRESSAVG: 2204400 8.88626 24.1555 0.230883 26.9185 3.47211 44.8535 1.0134 45.1562 -2.4546 TIMING: 2204400 CPU: 7038.66, 0.00324348/step Wall: 7038.66, 0.00324348/step, 2.51874 hours remaining, 240.867188 MB of memory in use. ENERGY: 2204400 4036.1485 20524.5786 14422.2718 229.2085 -202864.0373 2584.2142 0.0000 0.0000 51851.1609 -109216.4548 297.9893 -161067.6157 -108862.6969 299.4544 -58.2874 -27.7824 764725.0653 3.4808 3.3013 PRESSURE: 2204600 103.414 113.899 -3.93559 113.9 -336.699 172.742 -3.9352 172.743 -199.493 GPRESSURE: 2204600 98.0616 142.288 -62.6308 109.772 -308.722 161.226 90.5786 290.332 -132.875 PRESSAVG: 2204600 17.7853 30.7894 29.6068 30.7894 -15.3356 21.4239 29.6068 21.4238 -17.3957 GPRESSAVG: 2204600 16.6257 29.3483 27.6484 28.3064 -13.3318 24.213 30.5287 21.8905 -18.0809 TIMING: 2204600 CPU: 7039.29, 0.00317291/step Wall: 7039.29, 0.00317291/step, 2.46377 hours remaining, 241.070312 MB of memory in use. ENERGY: 2204600 3933.6149 20461.4097 14363.1099 255.3629 -203122.0996 2562.1765 0.0000 0.0000 52133.4754 -109412.9502 299.6118 -161546.4256 -109054.3656 299.4067 -144.2592 -114.5120 762353.2943 -4.9820 -4.9290 PRESSURE: 2204800 -188.83 24.6041 -19.0812 24.6046 -1.18366 -72.0449 -19.0817 -72.0452 63.4607 GPRESSURE: 2204800 -64.0973 46.3647 -83.8464 -66.5164 -38.9646 -29.8956 -20.6054 -25.3159 51.0959 PRESSAVG: 2204800 29.2006 30.0309 12.1394 30.0309 -31.6349 28.7864 12.1394 28.7865 0.106061 GPRESSAVG: 2204800 31.1908 32.2746 13.1258 29.3274 -33.402 27.0169 11.0864 29.4594 0.238879 TIMING: 2204800 CPU: 7039.93, 0.00318681/step Wall: 7039.93, 0.00318681/step, 2.47438 hours remaining, 241.070312 MB of memory in use. ENERGY: 2204800 4044.1878 20379.5579 14456.7536 237.1600 -202830.5079 2358.5426 0.0000 0.0000 52074.8799 -109279.4262 299.2751 -161354.3061 -108917.8444 299.2624 -42.1843 -17.3220 761723.2710 -0.7761 -0.6574 PRESSURE: 2205000 -94.2071 -189.416 2.10586 -189.415 -278.347 337.747 2.1065 337.747 -26.9984 GPRESSURE: 2205000 -127.228 -12.4336 -30.0917 -229.474 -163.701 434.609 42.2328 267.571 -46.5317 PRESSAVG: 2205000 66.7216 -15.5245 -20.857 -15.5245 -63.9672 60.0221 -20.8569 60.0222 20.1996 GPRESSAVG: 2205000 66.0861 -16.2711 -19.3317 -14.3033 -63.5467 59.9834 -22.6446 59.6343 20.287 TIMING: 2205000 CPU: 7040.57, 0.00317972/step Wall: 7040.57, 0.00317972/step, 2.4687 hours remaining, 241.070312 MB of memory in use. ENERGY: 2205000 3945.4847 20401.8685 14447.6011 227.8269 -202657.3926 2217.0760 0.0000 0.0000 52291.1162 -109126.4192 300.5178 -161417.5354 -108764.2725 299.3174 -133.1842 -112.4869 762505.0742 7.6513 7.6088 PRESSURE: 2205200 124.989 88.9234 -35.929 88.9227 -171.669 23.6625 -35.9287 23.663 -73.4227 GPRESSURE: 2205200 270.019 64.8272 -71.9303 63.6474 -208.423 -26.8927 -134.729 -1.30863 -90.4292 PRESSAVG: 2205200 47.1741 -34.8678 -36.6039 -34.8677 -24.9759 32.2936 -36.6038 32.2937 -28.9808 GPRESSAVG: 2205200 45.7442 -35.3834 -36.4728 -35.0139 -23.413 32.3323 -35.6913 31.0614 -29.1182 TIMING: 2205200 CPU: 7041.2, 0.0031802/step Wall: 7041.2, 0.0031802/step, 2.46889 hours remaining, 241.070312 MB of memory in use. ENERGY: 2205200 4006.5389 20543.5374 14383.1065 246.3868 -203140.0926 2571.4236 0.0000 0.0000 52252.8116 -109136.2877 300.2976 -161389.0993 -108779.4391 299.9547 -40.0343 -9.6109 759214.4819 -2.2608 -2.2623 PRESSURE: 2205400 19.9661 17.2644 245.281 17.264 89.5291 -168.447 245.281 -168.448 9.25181 GPRESSURE: 2205400 20.0961 32.3216 315.734 140.945 138.331 -142.367 79.6268 -167.557 69.3069 PRESSAVG: 2205400 7.89895 68.6859 -38.0771 68.6858 -27.0295 -16.374 -38.0771 -16.374 9.90998 GPRESSAVG: 2205400 8.39017 69.8337 -38.7987 68.8337 -27.4497 -15.9301 -38.4704 -16.9027 10.0209 TIMING: 2205400 CPU: 7041.84, 0.00315672/step Wall: 7041.84, 0.00315672/step, 2.45049 hours remaining, 241.070312 MB of memory in use. ENERGY: 2205400 3971.1133 20569.2862 14437.9190 220.8804 -203045.3710 2648.1479 0.0000 0.0000 51835.7712 -109362.2530 297.9009 -161198.0242 -109003.4410 299.5536 39.5823 75.9115 761307.5184 -3.0735 -3.0129 PRESSURE: 2205600 -0.308455 27.263 -3.50855 27.2629 -292.17 -184.913 -3.50879 -184.913 66.417 GPRESSURE: 2205600 34.6467 -14.0903 11.06 103.405 -325.096 -75.5979 -44.2384 -275.397 125.131 PRESSAVG: 2205600 54.8415 19.6625 20.3983 19.6625 -32.0163 -20.6767 20.3983 -20.6768 14.2438 GPRESSAVG: 2205600 56.1173 18.9066 18.581 19.7869 -34.2863 -21.9599 22.8586 -20.3615 14.6839 TIMING: 2205600 CPU: 7042.47, 0.00319574/step Wall: 7042.47, 0.00319574/step, 2.4806 hours remaining, 241.070312 MB of memory in use. ENERGY: 2205600 3992.1794 20641.4045 14432.6868 261.6302 -203087.2890 2390.2755 0.0000 0.0000 52109.0558 -109260.0568 299.4715 -161369.1126 -108900.2100 299.0575 -75.3537 -55.1062 761709.4075 12.3563 12.1717 PRESSURE: 2205800 -190.096 -23.2172 -4.92783 -23.2169 -232.286 -107.271 -4.92776 -107.271 96.4677 GPRESSURE: 2205800 -206.223 -133.682 70.139 68.0913 -190.033 -140.169 -35.7932 -46.0318 143.334 PRESSAVG: 2205800 22.0246 12.4456 -22.9769 12.4456 -38.7322 -50.6976 -22.977 -50.6976 2.71668 GPRESSAVG: 2205800 21.2652 11.731 -22.6358 13.4782 -36.8019 -48.8355 -24.0613 -50.5138 1.48895 TIMING: 2205800 CPU: 7043.11, 0.00318846/step Wall: 7043.11, 0.00318846/step, 2.47478 hours remaining, 241.070312 MB of memory in use. ENERGY: 2205800 3993.6040 20655.6795 14444.7539 247.0637 -202920.3783 2376.7335 0.0000 0.0000 52151.8654 -109050.6783 299.7175 -161202.5436 -108689.0265 299.6205 -108.6381 -84.3072 762184.1517 -4.6636 -4.6826 PRESSURE: 2206000 -245.606 181.833 -87.0923 181.833 314.786 45.9517 -87.0925 45.9518 170.24 GPRESSURE: 2206000 -195.979 61.3706 -73.7669 18.5037 228.097 101.583 -83.4393 -113.536 300.737 PRESSAVG: 2206000 -8.69917 29.1462 -41.2093 29.1462 5.04774 -56.8156 -41.2093 -56.8157 -2.9764 GPRESSAVG: 2206000 -8.67141 27.5625 -40.6084 27.4252 4.69344 -56.7111 -43.2384 -56.972 -2.78781 TIMING: 2206000 CPU: 7043.75, 0.00316361/step Wall: 7043.75, 0.00316361/step, 2.45532 hours remaining, 241.070312 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: 2206000 3996.1626 20343.9813 14429.8066 250.9264 -202891.3903 2459.4340 0.0000 0.0000 52468.3660 -108942.7135 301.5364 -161411.0795 -108575.2125 300.2207 79.8068 110.9518 762103.4800 -2.2093 -2.2553 PRESSURE: 2206200 75.6507 -180.263 -278.674 -180.263 149.665 3.4251 -278.674 3.4248 -2.29535 GPRESSURE: 2206200 145.394 -298.528 -271.008 -54.2803 112.738 -13.1147 -256.489 2.52974 59.2701 PRESSAVG: 2206200 6.27847 22.1424 -11.3218 22.1424 -21.3944 -15.7604 -11.3219 -15.7603 -1.42072 GPRESSAVG: 2206200 6.15444 25.15 -10.476 23.2758 -22.3227 -16.5687 -9.70069 -16.4266 -0.896134 TIMING: 2206200 CPU: 7044.38, 0.0031977/step Wall: 7044.38, 0.0031977/step, 2.48159 hours remaining, 241.070312 MB of memory in use. ENERGY: 2206200 4036.7735 20521.8565 14494.4141 232.2835 -203258.2533 2693.3167 0.0000 0.0000 52484.1715 -108795.4375 301.6273 -161279.6090 -108425.0383 300.5515 74.3400 105.8006 762740.3933 -5.5122 -5.6881 PRESSURE: 2206400 208.689 -211.706 -22.245 -211.705 155.009 -170.583 -22.2472 -170.583 -144.698 GPRESSURE: 2206400 253.41 -129.751 -98.6912 -170.983 209.596 -193.919 -30.0853 -129.277 -174.188 PRESSAVG: 2206400 -6.58052 -34.2626 78.3044 -34.2626 24.5277 -39.5824 78.3044 -39.5824 4.44227 GPRESSAVG: 2206400 -7.12439 -33.4797 78.1549 -33.6936 25.3455 -39.641 77.5894 -39.5543 4.07051 TIMING: 2206400 CPU: 7045.02, 0.00320113/step Wall: 7045.02, 0.00320113/step, 2.48407 hours remaining, 241.070312 MB of memory in use. ENERGY: 2206400 4045.6173 20425.9512 14425.5810 250.7684 -203382.0185 3065.7403 0.0000 0.0000 52450.3365 -108718.0238 301.4328 -161168.3603 -108350.1138 301.1198 73.0000 96.2727 764209.1714 7.4631 7.4305 PRESSURE: 2206600 -9.67616 13.8022 -129.13 13.8028 -68.4229 -157.861 -129.13 -157.861 121.379 GPRESSURE: 2206600 58.144 93.3203 -51.8014 -55.9105 -14.6057 -183.641 -55.0623 -100.98 84.8213 PRESSAVG: 2206600 -0.496108 36.6116 -37.9258 36.6116 -3.2298 -49.8664 -37.9258 -49.8664 10.5895 GPRESSAVG: 2206600 -0.164278 37.0613 -37.0764 35.2852 -2.73971 -47.5469 -36.2597 -48.094 10.34 TIMING: 2206600 CPU: 7045.66, 0.00318256/step Wall: 7045.66, 0.00318256/step, 2.46949 hours remaining, 241.070312 MB of memory in use. ENERGY: 2206600 3948.4789 20481.5448 14417.3098 250.1579 -202987.1834 2578.8732 0.0000 0.0000 52345.4658 -108965.3531 300.8301 -161310.8189 -108588.8249 300.6267 14.4267 42.7865 762790.7673 2.2879 2.4787 PRESSURE: 2206800 85.3457 94.8029 0.597746 94.802 35.0838 -177.568 0.59788 -177.568 36.7869 GPRESSURE: 2206800 77.5017 72.5039 14.3479 -31.1694 76.1146 -183.323 -8.94595 -151.655 89.617 PRESSAVG: 2206800 -39.8791 7.28649 -60.7552 7.28651 0.351635 -93.8867 -60.7551 -93.8867 -13.9615 GPRESSAVG: 2206800 -38.7562 5.1185 -61.1381 8.74112 -0.272109 -95.083 -61.2875 -95.6361 -14.519 TIMING: 2206800 CPU: 7046.3, 0.00317696/step Wall: 7046.3, 0.00317696/step, 2.46497 hours remaining, 241.070312 MB of memory in use. ENERGY: 2206800 3947.1406 20305.4865 14425.9639 259.5838 -203106.4805 2850.0627 0.0000 0.0000 52049.4804 -109268.7626 299.1291 -161318.2430 -108892.4961 299.7455 52.4055 81.0777 761367.4705 -17.8297 -17.8491 PRESSURE: 2207000 -496.083 -210.622 -260.982 -210.62 -235.236 -148.876 -260.982 -148.875 -16.8662 GPRESSURE: 2207000 -417.557 -83.9109 -243.752 -60.6958 -244.442 -182.27 -240.733 -62.3318 -6.32319 PRESSAVG: 2207000 -15.207 1.85747 -30.4936 1.85758 16.9617 -13.9775 -30.4936 -13.9775 14.5664 GPRESSAVG: 2207000 -16.2295 1.4577 -30.9929 1.24212 17.5154 -13.6965 -30.8327 -13.3856 15.296 TIMING: 2207000 CPU: 7046.93, 0.00317902/step Wall: 7046.93, 0.00317902/step, 2.46639 hours remaining, 241.070312 MB of memory in use. ENERGY: 2207000 3995.9182 20463.2984 14451.4210 248.8434 -202920.4959 2255.4266 0.0000 0.0000 52195.6192 -109309.9692 299.9689 -161505.5884 -108940.4700 299.5190 -249.3950 -222.7739 762583.7734 5.4404 5.5273 PRESSURE: 2207200 9.21923 -39.8356 -234.641 -39.8349 390.922 207.466 -234.641 207.466 156.216 GPRESSURE: 2207200 100.801 -95.6752 -281.061 79.8544 366.808 254.738 -91.9386 147.26 169.058 PRESSAVG: 2207200 -40.6798 39.3436 -38.5663 39.3436 67.0838 -26.3147 -38.5663 -26.3146 5.8002 GPRESSAVG: 2207200 -38.8855 40.5707 -39.8757 38.759 66.786 -26.17 -34.4646 -28.0378 4.26465 TIMING: 2207200 CPU: 7047.57, 0.00319132/step Wall: 7047.57, 0.00319132/step, 2.47575 hours remaining, 241.070312 MB of memory in use. ENERGY: 2207200 3936.6451 20382.9410 14375.8304 247.2954 -203268.9397 2728.5862 0.0000 0.0000 52061.6651 -109535.9764 299.1991 -161597.6415 -109170.5429 299.3946 185.4524 212.2223 761176.7435 10.7348 10.7217 PRESSURE: 2207400 46.1659 59.7166 24.6294 59.7164 -19.8915 25.7401 24.6299 25.7399 -398.822 GPRESSURE: 2207400 34.3425 112.494 20.441 71.0881 38.7491 -28.1779 -99.8425 -67.5563 -358.556 PRESSAVG: 2207400 -46.0744 -4.72817 -19.6976 -4.72814 5.98754 -2.85696 -19.6976 -2.85701 -11.1546 GPRESSAVG: 2207400 -46.4312 -4.29263 -20.1912 -5.79079 5.10774 -1.54925 -22.2294 -1.18945 -9.77356 TIMING: 2207400 CPU: 7048.21, 0.00318236/step Wall: 7048.21, 0.00318236/step, 2.46862 hours remaining, 241.070312 MB of memory in use. ENERGY: 2207400 3901.5275 20301.8764 14449.1074 254.7480 -203041.3946 2579.3642 0.0000 0.0000 52132.9460 -109421.8252 299.6088 -161554.7712 -109051.3285 298.7132 -124.1826 -95.1549 762921.9381 -17.0805 -17.0323 PRESSURE: 2207600 -214.046 217.533 119.557 217.532 65.18 -130.745 119.556 -130.745 -47.7364 GPRESSURE: 2207600 -171.462 155.557 54.2851 87.4891 58.9054 -146.389 59.9118 -204.575 4.13096 PRESSAVG: 2207600 -40.4965 58.5384 -3.3475 58.5384 52.6963 -43.3495 -3.34745 -43.3495 9.23253 GPRESSAVG: 2207600 -41.7231 58.2498 -1.66868 60.822 53.202 -44.344 -3.40257 -44.5312 9.66479 TIMING: 2207600 CPU: 7048.84, 0.00316095/step Wall: 7048.84, 0.00316095/step, 2.45185 hours remaining, 241.070312 MB of memory in use. ENERGY: 2207600 3988.6858 20489.0036 14433.0562 259.8247 -203047.1859 2568.2526 0.0000 0.0000 51990.0802 -109318.2828 298.7877 -161308.3630 -108962.1341 299.3917 -65.5340 -36.1418 762214.8510 7.1441 7.0479 PRESSURE: 2207800 -175.405 -18.324 -208.759 -18.3239 -283.474 -215.118 -208.759 -215.118 -301.838 GPRESSURE: 2207800 -198.25 74.9039 -223.41 -25.849 -239.862 -95.7146 -276.072 -174.18 -237.053 PRESSAVG: 2207800 27.4106 43.6797 -49.3164 43.6797 38.6131 -50.9276 -49.3164 -50.9276 9.66029 GPRESSAVG: 2207800 28.1586 43.096 -49.9406 43.116 38.7907 -49.8518 -49.2276 -49.8308 8.70481 TIMING: 2207800 CPU: 7049.48, 0.00319155/step Wall: 7049.48, 0.00319155/step, 2.4754 hours remaining, 241.070312 MB of memory in use. ENERGY: 2207800 3898.9059 20469.4246 14451.2625 242.1311 -202989.5351 2431.9479 0.0000 0.0000 51955.6713 -109540.1918 298.5900 -161495.8631 -109183.6055 299.3345 -253.5724 -225.0548 762597.2052 25.2280 25.2180 PRESSURE: 2208000 28.2844 0.35693 317.879 0.357533 63.8891 -98.0446 317.879 -98.0437 251.918 GPRESSURE: 2208000 29.321 163.633 329.404 61.1167 110.825 -236.156 213.429 -110.878 278.58 PRESSAVG: 2208000 -31.4943 8.11959 -28.4288 8.11954 -2.07311 -63.4856 -28.4288 -63.4856 -21.5019 GPRESSAVG: 2208000 -31.9467 7.91429 -28.1062 8.33254 -2.55788 -67.4981 -29.6414 -62.7763 -20.2066 TIMING: 2208000 CPU: 7050.11, 0.00318473/step Wall: 7050.11, 0.00318473/step, 2.46993 hours remaining, 241.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2208000 4000.7747 20419.2145 14458.4175 252.7832 -203299.0864 2643.0840 0.0000 0.0000 52011.4758 -109513.3367 298.9107 -161524.8125 -109164.4067 299.2520 114.6971 139.5752 762136.8372 -18.3564 -18.2371 PRESSURE: 2208200 -16.9131 -13.2235 91.2688 -13.2222 -26.5354 -234.499 91.2685 -234.499 -367.163 GPRESSURE: 2208200 66.5654 -58.3982 47.2128 -11.9386 -74.6705 -249.506 170.584 -220.702 -309.427 PRESSAVG: 2208200 -52.1434 10.2327 -13.734 10.2328 45.5626 -78.617 -13.7339 -78.6169 0.278368 GPRESSAVG: 2208200 -51.8968 12.4549 -13.4208 10.6177 45.6902 -76.1189 -13.1647 -77.4897 -0.625246 TIMING: 2208200 CPU: 7050.75, 0.00318932/step Wall: 7050.75, 0.00318932/step, 2.47332 hours remaining, 241.070312 MB of memory in use. ENERGY: 2208200 3944.1760 20571.8144 14473.8874 223.1315 -202834.5982 2351.8689 0.0000 0.0000 51667.6176 -109602.1024 296.9345 -161269.7200 -109245.4839 299.0975 -136.8706 -105.8441 761030.0508 -2.1008 -2.2773 LDB: ============= START OF LOAD BALANCING ============== 7063.21 LDB: ============== END OF LOAD BALANCING =============== 7063.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7063.21 LDB: ============= START OF LOAD BALANCING ============== 7063.53 LDB: Largest compute 7076 load 0.038115 is 19.5% of average load 0.195202 LDB: Average compute 0.004369 is 2.2% of average load 0.195202 LDB: TIME 7063.53 LOAD: AVG 0.195202 MAX 0.218086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 7063.53 LOAD: AVG 0.195202 MAX 0.218086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 7063.53 LOAD: AVG 0.195202 MAX 0.21752 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 7063.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7063.54 PRESSURE: 2208400 56.5937 -308.953 -155.313 -308.952 28.9952 86.4905 -155.312 86.4895 294.871 GPRESSURE: 2208400 52.6436 -246.175 -184.445 -302.164 108.173 37.2344 -22.2535 144.346 288.498 PRESSAVG: 2208400 -45.7114 -26.7937 -57.7956 -26.7937 60.5101 -37.7946 -57.7956 -37.7946 -9.31545 GPRESSAVG: 2208400 -45.9368 -27.6539 -59.8251 -27.0516 61.7113 -37.9905 -56.4613 -40.2213 -9.90472 TIMING: 2208400 CPU: 7051.41, 0.00326399/step Wall: 7051.41, 0.00326399/step, 2.53104 hours remaining, 242.660156 MB of memory in use. ENERGY: 2208400 3952.1851 20348.3023 14500.5244 241.0689 -203430.4076 2608.0789 0.0000 0.0000 52205.6777 -109574.5702 300.0267 -161780.2479 -109207.7349 298.9646 126.8200 149.7716 759611.8434 1.8278 1.9566 PRESSURE: 2208600 329.081 145.518 320.245 145.518 105.518 -21.6801 320.245 -21.6806 18.4196 GPRESSURE: 2208600 284.671 83.7341 208.897 108.447 141.661 25.9112 240.719 0.0316788 115.629 PRESSAVG: 2208600 5.49027 -30.7869 4.95238 -30.7868 -3.35721 -24.6405 4.95239 -24.6406 -5.43256 GPRESSAVG: 2208600 5.84505 -31.7626 6.77734 -32.5512 -4.82675 -24.2449 3.4404 -24.1346 -4.72516 TIMING: 2208600 CPU: 7052.04, 0.00316464/step Wall: 7052.04, 0.00316464/step, 2.45382 hours remaining, 242.863281 MB of memory in use. ENERGY: 2208600 4071.1794 20409.3535 14449.0259 243.4342 -203823.3148 2955.9323 0.0000 0.0000 51837.0985 -109857.2911 297.9085 -161694.3895 -109502.3740 298.7038 151.0061 180.6535 761056.2703 -1.0998 -1.2356 PRESSURE: 2208800 -49.8788 -229.514 -196.869 -229.514 -127.066 5.03028 -196.869 5.03039 -64.7889 GPRESSURE: 2208800 -19.6073 -236.896 -219.834 -159.156 -148.544 -11.3095 -233.881 -6.69989 5.93287 PRESSAVG: 2208800 -26.0343 13.4645 -55.6081 13.4644 6.68001 5.44525 -55.6081 5.4453 -26.3474 GPRESSAVG: 2208800 -26.6082 12.9973 -57.48 15.1513 6.97837 3.7203 -53.5912 6.8063 -26.1844 TIMING: 2208800 CPU: 7052.67, 0.00317336/step Wall: 7052.67, 0.00317336/step, 2.46041 hours remaining, 242.863281 MB of memory in use. ENERGY: 2208800 4018.3993 20443.3649 14468.2337 249.2668 -203315.4590 2527.1098 0.0000 0.0000 51845.3133 -109763.7712 297.9557 -161609.0845 -109410.0042 298.6701 -80.5780 -54.0730 761535.0354 -15.2339 -15.2714 PRESSURE: 2209000 -155.648 -151.532 -206.328 -151.532 -203.211 21.9812 -206.328 21.981 -117.617 GPRESSURE: 2209000 -115.995 -105.956 -205.151 -78.4328 -172.726 56.9474 -186.836 149.879 -107.576 PRESSAVG: 2209000 4.12643 -57.7217 -20.1439 -57.7218 7.59359 -15.5835 -20.1438 -15.5836 5.91005 GPRESSAVG: 2209000 5.56449 -55.4299 -18.4388 -59.0661 7.14676 -14.0151 -21.423 -17.5917 4.48337 TIMING: 2209000 CPU: 7053.31, 0.00316923/step Wall: 7053.31, 0.00316923/step, 2.45703 hours remaining, 242.863281 MB of memory in use. ENERGY: 2209000 4040.3731 20233.6595 14546.6889 249.0653 -203596.1322 2471.8848 0.0000 0.0000 52082.8301 -109971.6305 299.3207 -162054.4606 -109609.7630 298.4681 -158.8255 -132.0993 761614.1315 5.8767 5.7315 PRESSURE: 2209200 112.122 -98.2132 -179.188 -98.2135 169.441 -276.025 -179.189 -276.025 115.177 GPRESSURE: 2209200 152.782 -120.167 -133.4 -19.2614 205.1 -255.593 -209.204 -280.919 158.456 PRESSAVG: 2209200 -35.3562 -20.7211 -48.2854 -20.7212 19.2249 8.71304 -48.2853 8.71303 -18.1042 GPRESSAVG: 2209200 -36.0629 -21.6766 -48.3384 -19.0889 19.5672 8.31024 -48.5757 8.9712 -17.4384 TIMING: 2209200 CPU: 7053.94, 0.00317371/step Wall: 7053.94, 0.00317371/step, 2.46033 hours remaining, 242.863281 MB of memory in use. ENERGY: 2209200 3961.6690 20397.9684 14487.3019 248.3650 -203710.4115 2783.3901 0.0000 0.0000 51808.1201 -110023.5969 297.7420 -161831.7171 -109660.8141 297.5876 132.2465 172.1128 760135.2098 -11.4118 -11.3114 PRESSURE: 2209400 -92.2249 9.10362 -43.8962 9.10432 -14.5238 289.525 -43.896 289.525 203.7 GPRESSURE: 2209400 -12.5096 -35.139 -42.1575 19.0239 36.2145 236.174 -23.2277 380.825 156.139 PRESSAVG: 2209400 17.2559 7.18219 -28.2778 7.18219 24.3513 -40.8071 -28.2778 -40.8071 -13.9535 GPRESSAVG: 2209400 17.6996 6.44495 -29.3853 7.36044 24.6812 -40.9 -25.6077 -39.0185 -14.5607 TIMING: 2209400 CPU: 7054.58, 0.00316916/step Wall: 7054.58, 0.00316916/step, 2.45662 hours remaining, 242.863281 MB of memory in use. ENERGY: 2209400 3948.4732 20397.2268 14406.2316 244.7225 -203512.4281 2800.1853 0.0000 0.0000 51598.1554 -110117.4333 296.5353 -161715.5887 -109772.8155 297.6674 32.3171 59.9480 759964.1596 9.2179 9.2733 PRESSURE: 2209600 -20.727 -226.479 -31.6584 -226.479 -47.5786 -37.1706 -31.659 -37.1706 50.3521 GPRESSURE: 2209600 -23.3916 -305.042 -86.0629 -259.396 -34.5598 -92.1556 -131.008 -57.7321 107.074 PRESSAVG: 2209600 4.12825 -53.868 -32.6745 -53.868 -9.48089 28.607 -32.6744 28.607 0.713564 GPRESSAVG: 2209600 4.03995 -55.8258 -32.2113 -54.0059 -9.44349 27.9437 -36.0212 28.7661 1.11599 TIMING: 2209600 CPU: 7055.21, 0.00316755/step Wall: 7055.21, 0.00316755/step, 2.4552 hours remaining, 242.863281 MB of memory in use. ENERGY: 2209600 3953.4291 20378.3469 14428.4474 255.3396 -203818.9746 2543.9747 0.0000 0.0000 52290.9129 -109968.5239 300.5166 -162259.4368 -109607.1062 298.0890 -5.9845 16.3743 760420.0572 -1.5464 -1.4292 PRESSURE: 2209800 -75.624 -118.944 -156.862 -118.943 -40.8302 -274.416 -156.861 -274.416 223.825 GPRESSURE: 2209800 -1.995 -97.7563 -103.835 -216.643 4.89011 -272.609 -128.561 -251.456 196.553 PRESSAVG: 2209800 -31.7297 -27.9431 -47.4173 -27.943 23.2548 -10.2052 -47.4174 -10.2053 -10.3776 GPRESSAVG: 2209800 -32.1852 -24.9023 -46.5722 -28.9301 23.8443 -10.2969 -46.9451 -10.0948 -10.3657 TIMING: 2209800 CPU: 7055.84, 0.0031688/step Wall: 7055.84, 0.0031688/step, 2.456 hours remaining, 242.863281 MB of memory in use. ENERGY: 2209800 4009.7748 20337.8181 14524.9211 221.4491 -203698.6334 2793.7930 0.0000 0.0000 51745.8889 -110064.9883 297.3843 -161810.8772 -109704.0992 297.8043 35.7902 66.4827 761208.4971 -6.2842 -6.2355 PRESSURE: 2210000 -308.178 34.3669 -89.7977 34.3668 22.8927 89.9841 -89.7977 89.9841 -39.2475 GPRESSURE: 2210000 -276.845 22.112 -51.5646 -64.6528 9.86584 43.2773 -66.8912 217.026 37.371 PRESSAVG: 2210000 -25.6767 -38.2328 -59.8452 -38.2328 5.20536 -63.2285 -59.8452 -63.2286 15.8135 GPRESSAVG: 2210000 -24.7386 -39.7238 -59.6998 -37.2789 3.61315 -62.1718 -60.7359 -64.1828 16.8912 TIMING: 2210000 CPU: 7056.48, 0.00316567/step Wall: 7056.48, 0.00316567/step, 2.45339 hours remaining, 242.863281 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: 2210000 3937.7560 20374.8175 14430.5887 236.1292 -203458.1851 2558.2838 0.0000 0.0000 51869.8891 -110050.7207 298.0970 -161920.6098 -109693.6086 297.7056 -108.1775 -76.5361 761863.7975 -1.5526 -1.4114 PRESSURE: 2210200 -195.54 -8.4138 -50.9766 -8.4145 61.3589 24.9346 -50.9765 24.9345 -336.077 GPRESSURE: 2210200 -89.4866 -42.2206 -84.2341 -68.232 94.2064 56.515 11.6124 7.17457 -413.062 PRESSAVG: 2210200 -29.2543 -18.8493 -68.6625 -18.8493 56.5896 17.3246 -68.6626 17.3246 11.2353 GPRESSAVG: 2210200 -29.5356 -19.6605 -68.4406 -17.7627 58.6239 16.5006 -67.1611 17.3634 9.30935 TIMING: 2210200 CPU: 7057.11, 0.00317033/step Wall: 7057.11, 0.00317033/step, 2.45683 hours remaining, 242.863281 MB of memory in use. ENERGY: 2210200 3967.8011 20399.7552 14456.7693 257.6963 -203515.3599 2644.5265 0.0000 0.0000 51768.0997 -110020.7118 297.5120 -161788.8115 -109658.3722 297.9162 -156.7528 -136.1139 762455.6020 12.8569 12.7992 PRESSURE: 2210400 -77.4127 -93.5919 235.787 -93.5913 51.3032 97.7548 235.787 97.7549 -226.471 GPRESSURE: 2210400 51.2594 -131.987 210.992 -109.583 -16.3072 105.484 155.698 131.619 -192.411 PRESSAVG: 2210400 -2.1246 -14.1276 -7.27617 -14.1276 -1.61395 1.65 -7.27612 1.64992 7.00454 GPRESSAVG: 2210400 -0.799232 -9.60916 -7.41447 -17.8785 -3.76751 2.66031 -7.74502 0.41488 7.88129 TIMING: 2210400 CPU: 7057.75, 0.00318212/step Wall: 7057.75, 0.00318212/step, 2.46579 hours remaining, 242.863281 MB of memory in use. ENERGY: 2210400 3933.7842 20501.6639 14412.9661 259.5242 -203991.5052 2869.6826 0.0000 0.0000 51913.6720 -110100.2122 298.3486 -162013.8842 -109736.4379 298.2717 -84.1936 -52.4862 761067.1889 1.0887 1.1048 PRESSURE: 2210600 111.222 21.7321 182.943 21.7318 61.0198 82.3941 182.942 82.3945 -40.5495 GPRESSURE: 2210600 153.664 -5.75774 213.848 74.6591 94.9983 148.09 195.041 65.4695 -3.98407 PRESSAVG: 2210600 33.1546 -42.2486 0.807091 -42.2487 -42.431 37.2077 0.807086 37.2078 -7.31041 GPRESSAVG: 2210600 31.8486 -45.2692 0.752095 -39.5367 -40.3636 36.3791 1.2448 37.3431 -7.62868 TIMING: 2210600 CPU: 7058.38, 0.00317162/step Wall: 7058.38, 0.00317162/step, 2.45747 hours remaining, 242.863281 MB of memory in use. ENERGY: 2210600 3918.8428 20349.8510 14430.2787 234.3574 -204020.3207 2938.8779 0.0000 0.0000 51992.9094 -110155.2035 298.8040 -162148.1130 -109791.4823 297.7078 43.8973 81.5593 761638.6808 -5.5289 -5.3812 PRESSURE: 2210800 174.611 33.9536 -108.042 33.9531 1.49476 -147.823 -108.041 -147.822 -79.9141 GPRESSURE: 2210800 134.883 88.9393 -80.2631 55.2828 108.795 -166.449 -68.7262 -53.5762 -62.8278 PRESSAVG: 2210800 27.9186 -27.9292 10.021 -27.9292 -33.78 41.0978 10.021 41.0978 7.17169 GPRESSAVG: 2210800 27.8873 -27.2845 9.21102 -29.3945 -33.8497 39.5676 10.0837 44.4298 7.25323 TIMING: 2210800 CPU: 7059.02, 0.00317394/step Wall: 7059.02, 0.00317394/step, 2.4591 hours remaining, 242.863281 MB of memory in use. ENERGY: 2210800 3968.6947 20420.6673 14425.9606 248.1252 -203580.7672 2662.3120 0.0000 0.0000 51709.2189 -110145.7884 297.1736 -161855.0074 -109780.8591 297.8919 32.0637 60.2833 761732.6022 0.4368 0.4303 PRESSURE: 2211000 -201.065 -81.0114 -84.2486 -81.011 -75.0232 137.466 -84.2501 137.466 127.998 GPRESSURE: 2211000 -232.135 91.2711 -40.7741 -18.3604 39.4598 109.769 -82.5116 252.854 108.511 PRESSAVG: 2211000 38.7762 -8.19565 -41.1552 -8.19562 -67.0365 14.3723 -41.1552 14.3724 2.82293 GPRESSAVG: 2211000 39.5432 -6.65292 -40.7649 -7.83389 -68.9663 15.534 -41.9159 13.0475 3.7611 TIMING: 2211000 CPU: 7059.65, 0.00318741/step Wall: 7059.65, 0.00318741/step, 2.46936 hours remaining, 242.863281 MB of memory in use. ENERGY: 2211000 3978.2831 20560.4424 14397.4268 237.4064 -203490.7524 2572.1377 0.0000 0.0000 51655.3885 -110089.6674 296.8642 -161745.0559 -109737.6975 298.2342 -49.3637 -28.0545 761751.3184 -8.4791 -8.5540 PRESSURE: 2211200 -224.414 99.7495 219.926 99.7489 -488.535 -197.911 219.925 -197.913 520.667 GPRESSURE: 2211200 -106.256 122.241 132.743 66.052 -435.946 -257.808 146.806 -81.6676 426.842 PRESSAVG: 2211200 14.4444 -39.7907 -3.38078 -39.7906 -29.6247 3.46591 -3.3808 3.46585 15.8533 GPRESSAVG: 2211200 13.8014 -41.3226 -3.20865 -38.8517 -27.6131 3.16237 -3.08815 3.92147 14.8801 TIMING: 2211200 CPU: 7060.29, 0.00316856/step Wall: 7060.29, 0.00316856/step, 2.45458 hours remaining, 242.863281 MB of memory in use. ENERGY: 2211200 4018.6951 20300.6150 14408.6833 262.1249 -203432.7479 2482.7288 0.0000 0.0000 52031.5009 -109928.3999 299.0258 -161959.9009 -109563.2102 298.3546 -64.0940 -38.4534 762613.4248 0.2243 0.3561 PRESSURE: 2211400 262.143 -130.136 82.0502 -130.135 -64.234 -9.91819 82.051 -9.91819 86.2918 GPRESSURE: 2211400 370.255 -24.5495 127.277 -54.7191 12.3509 -62.4318 121.535 -63.7966 -9.29427 PRESSAVG: 2211400 81.0139 -57.778 42.4737 -57.7781 -86.314 -13.0099 42.4737 -13.0099 8.8739 GPRESSAVG: 2211400 80.946 -57.467 42.4444 -59.4528 -87.4569 -13.7779 40.6936 -11.2788 10.3457 TIMING: 2211400 CPU: 7060.92, 0.0031706/step Wall: 7060.92, 0.0031706/step, 2.45598 hours remaining, 242.863281 MB of memory in use. ENERGY: 2211400 4021.8100 20161.6093 14407.1030 240.2791 -203686.6526 2882.3649 0.0000 0.0000 52108.8165 -109864.6697 299.4701 -161973.4862 -109504.1134 298.1956 94.7335 124.4372 761137.8345 1.1912 1.2783 PRESSURE: 2211600 28.5506 -29.4034 199.815 -29.4028 -318.723 -119.128 199.815 -119.127 265.028 GPRESSURE: 2211600 84.5606 9.18659 266.281 -45.5949 -339.068 -84.1107 271.195 -127.025 307.562 PRESSAVG: 2211600 57.1243 -57.9389 13.2398 -57.9389 -37.5309 6.67925 13.2398 6.67925 -3.80304 GPRESSAVG: 2211600 57.0334 -57.1664 14.227 -58.6876 -35.863 8.1475 15.5022 3.67792 -4.77495 TIMING: 2211600 CPU: 7061.55, 0.00316658/step Wall: 7061.55, 0.00316658/step, 2.45269 hours remaining, 242.863281 MB of memory in use. ENERGY: 2211600 4058.8999 20335.4834 14395.0824 246.3371 -203619.4066 2606.9571 0.0000 0.0000 52178.1715 -109798.4752 299.8687 -161976.6467 -109449.8989 298.2540 -8.3816 17.6848 760516.4284 5.2634 5.4652 PRESSURE: 2211800 -47.8116 86.9447 230.274 86.9447 -15.0173 163.128 230.273 163.13 -102.297 GPRESSURE: 2211800 -95.1387 4.11276 184.916 60.5441 -40.947 254.77 209.304 148.73 30.7819 PRESSAVG: 2211800 30.1711 -12.6007 71.2163 -12.6007 22.2972 -4.19137 71.2163 -4.1913 -19.1504 GPRESSAVG: 2211800 30.3727 -11.6245 70.5966 -12.0107 20.5982 -3.82092 69.6556 -3.25522 -18.1322 TIMING: 2211800 CPU: 7062.2, 0.00320457/step Wall: 7062.2, 0.00320457/step, 2.48194 hours remaining, 242.863281 MB of memory in use. ENERGY: 2211800 3930.2579 20589.0230 14393.9357 250.2742 -203436.4095 2702.8124 0.0000 0.0000 51932.0872 -109638.0191 298.4544 -161570.1063 -109278.2622 298.8220 -55.0421 -35.1013 761062.9182 11.1060 10.9463 PRESSURE: 2212000 205.004 -149.733 -255.058 -149.733 139.269 -41.6137 -255.059 -41.6146 565.432 GPRESSURE: 2212000 334.724 -119.294 -330.976 -134.588 202.692 -9.27965 -335.209 -6.70943 472.232 PRESSAVG: 2212000 62.6743 -14.6677 1.965 -14.6677 -52.9378 33.6671 1.96497 33.667 -12.2777 GPRESSAVG: 2212000 61.5823 -16.99 1.78104 -15.0731 -51.507 33.6831 0.460182 32.287 -12.6894 TIMING: 2212000 CPU: 7062.83, 0.00318332/step Wall: 7062.83, 0.00318332/step, 2.4653 hours remaining, 242.863281 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: 2212000 3924.5389 20485.7770 14427.6636 228.2421 -203583.4583 2778.1519 0.0000 0.0000 52010.0554 -109729.0294 298.9025 -161739.0848 -109363.7167 299.1541 303.2351 336.5492 760389.2914 -0.8471 -0.8714 PRESSURE: 2212200 -296.876 235.377 71.3668 235.377 180.287 -94.0938 71.3664 -94.0934 -33.653 GPRESSURE: 2212200 -224.025 160.997 72.5807 198.596 174.96 -115.988 117.16 -99.6971 -14.6006 PRESSAVG: 2212200 1.91912 -55.9457 36.6364 -55.9457 -16.289 16.4473 36.6364 16.4474 -0.299914 GPRESSAVG: 2212200 2.115 -55.7254 36.8739 -55.222 -16.6954 16.0216 39.8999 18.0922 -0.481658 TIMING: 2212200 CPU: 7063.47, 0.00318275/step Wall: 7063.47, 0.00318275/step, 2.46469 hours remaining, 242.863281 MB of memory in use. ENERGY: 2212200 4003.3144 20506.9471 14372.1858 245.1580 -202923.8945 2181.3858 0.0000 0.0000 51836.2555 -109778.6480 297.9037 -161614.9034 -109419.2396 298.8576 -50.0807 -21.2220 760967.6998 -4.8899 -5.0207 LDB: ============= START OF LOAD BALANCING ============== 7075.92 LDB: ============== END OF LOAD BALANCING =============== 7075.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7075.92 LDB: ============= START OF LOAD BALANCING ============== 7076.24 LDB: Largest compute 7076 load 0.035520 is 18.2% of average load 0.195280 LDB: Average compute 0.004377 is 2.2% of average load 0.195280 LDB: TIME 7076.24 LOAD: AVG 0.19528 MAX 0.213129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 7076.24 LOAD: AVG 0.19528 MAX 0.213129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: TIME 7076.25 LOAD: AVG 0.19528 MAX 0.213129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: ============== END OF LOAD BALANCING =============== 7076.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7076.25 PRESSURE: 2212400 200.169 -73.1346 25.3557 -73.1345 -81.5424 42.7464 25.3565 42.7461 293.436 GPRESSURE: 2212400 197.256 -197.214 34.6838 -107.844 40.2728 -93.2096 -1.31692 68.3608 273.16 PRESSAVG: 2212400 -13.692 29.1977 -1.0051 29.1978 24.0884 -22.5069 -1.00511 -22.5069 -0.516261 GPRESSAVG: 2212400 -12.9034 28.1381 -1.952 28.4105 23.6529 -23.0407 -2.93431 -23.7343 -0.544836 TIMING: 2212400 CPU: 7064.12, 0.00323744/step Wall: 7064.12, 0.00323744/step, 2.50686 hours remaining, 240.347656 MB of memory in use. ENERGY: 2212400 3916.2471 20412.7161 14401.0839 253.3341 -203522.8945 2719.1091 0.0000 0.0000 52161.3723 -109659.0320 299.7721 -161820.4043 -109286.1846 298.8420 137.3542 170.2296 760026.7458 3.2934 3.4016 PRESSURE: 2212600 294.619 105.863 227.501 105.864 213.265 -96.3564 227.501 -96.3567 134.302 GPRESSURE: 2212600 311.944 187.217 240.45 274.866 228.357 -17.9355 248.849 -12.4913 171.553 PRESSAVG: 2212600 -26.7956 -49.3683 -23.487 -49.3683 12.585 -23.4737 -23.487 -23.4736 16.5404 GPRESSAVG: 2212600 -28.2352 -46.0262 -23.7178 -49.2121 13.3992 -24.0111 -19.4437 -22.2684 16.7203 TIMING: 2212600 CPU: 7064.75, 0.0031832/step Wall: 7064.75, 0.0031832/step, 2.46468 hours remaining, 240.347656 MB of memory in use. ENERGY: 2212600 3957.6966 20579.8122 14396.3222 241.2243 -203719.5317 2766.8716 0.0000 0.0000 52014.2525 -109763.3523 298.9266 -161777.6048 -109402.5385 299.1283 214.0621 237.2847 761370.0723 0.7766 0.6281 PRESSURE: 2212800 -167.141 -93.2508 -33.212 -93.2513 -71.0242 -370.996 -33.2123 -370.996 -420.036 GPRESSURE: 2212800 -50.8168 -242.058 56.5186 -45.0317 -42.3441 -338.78 -26.5616 -287.084 -474.61 PRESSAVG: 2212800 74.7974 -16.7315 4.95679 -16.7315 -45.3251 13.045 4.95673 13.0449 -22.9413 GPRESSAVG: 2212800 75.2553 -19.4916 5.33898 -15.6005 -45.6124 14.8677 4.03355 13.3112 -23.9781 TIMING: 2212800 CPU: 7065.38, 0.00315307/step Wall: 7065.38, 0.00315307/step, 2.44118 hours remaining, 240.347656 MB of memory in use. ENERGY: 2212800 4004.0905 20414.5216 14443.1395 249.2438 -203252.1130 2335.4552 0.0000 0.0000 52088.8409 -109716.8215 299.3553 -161805.6624 -109349.0002 298.7514 -219.4004 -189.2569 761013.7300 2.1770 1.8882 PRESSURE: 2213000 94.1729 -25.2023 -87.8344 -25.2017 -343.838 -18.2187 -87.8345 -18.2198 -223.899 GPRESSURE: 2213000 106.996 121.907 -151.761 -66.8092 -322.364 28.5203 -6.5065 -44.146 -154.335 PRESSAVG: 2213000 13.0057 -41.7585 78.0501 -41.7585 16.7953 11.8952 78.0501 11.8951 29.9577 GPRESSAVG: 2213000 14.5942 -40.2337 77.2409 -42.4861 15.7527 13.3904 79.2023 10.9676 29.7234 TIMING: 2213000 CPU: 7066.02, 0.003175/step Wall: 7066.02, 0.003175/step, 2.45798 hours remaining, 240.347656 MB of memory in use. ENERGY: 2213000 3978.9834 20371.1344 14462.3924 252.1693 -203289.4473 2556.0957 0.0000 0.0000 52150.7526 -109517.9196 299.7111 -161668.6721 -109142.9295 299.1766 -157.8545 -123.2342 763199.8343 19.9196 20.0234 PRESSURE: 2213200 -49.0924 -166.751 -24.6733 -166.751 -435.634 118.364 -24.6736 118.365 -442.881 GPRESSURE: 2213200 -22.7011 -137.416 -84.6111 -130.327 -421.056 218.742 -102.153 52.9289 -381.58 PRESSAVG: 2213200 -2.36423 -66.8035 69.7535 -66.8034 -7.74059 54.9888 69.7535 54.9887 -9.94258 GPRESSAVG: 2213200 -4.19065 -65.9394 71.8623 -68.6271 -6.41059 54.238 65.4811 56.313 -9.61721 TIMING: 2213200 CPU: 7066.65, 0.00316976/step Wall: 7066.65, 0.00316976/step, 2.45375 hours remaining, 240.347656 MB of memory in use. ENERGY: 2213200 3937.2047 20488.8802 14384.0409 234.1537 -203205.9399 2286.9839 0.0000 0.0000 52238.3023 -109636.3740 300.2142 -161874.6763 -109266.8374 299.3649 -309.2025 -275.1123 761434.3364 -6.6825 -6.7395 PRESSURE: 2213400 -129.338 67.5295 62.9602 67.5295 45.0257 233.384 62.9608 233.384 -61.3202 GPRESSURE: 2213400 -124.442 77.6278 10.721 9.5457 15.4274 152.947 134.905 303.019 21.6902 PRESSAVG: 2213400 46.797 -51.605 10.0381 -51.605 -14.5131 28.8797 10.0381 28.8797 -14.8928 GPRESSAVG: 2213400 47.0175 -55.1866 7.37774 -49.5051 -16.5959 26.2485 12.8806 28.1263 -13.9411 TIMING: 2213400 CPU: 7067.29, 0.00317581/step Wall: 7067.29, 0.00317581/step, 2.45826 hours remaining, 240.347656 MB of memory in use. ENERGY: 2213400 3996.8954 20445.7874 14432.5045 252.2660 -203521.6177 2619.2869 0.0000 0.0000 52275.8008 -109499.0767 300.4297 -161774.8775 -109135.0696 299.7163 -48.5443 -29.1083 760352.0737 5.7970 5.4935 PRESSURE: 2213600 19.7354 11.3919 -16.1805 11.3915 131.253 159.856 -16.18 159.856 -146.278 GPRESSURE: 2213600 111.528 135.698 -8.58114 -51.6669 117.962 215.38 -50.6648 145.822 -142.392 PRESSAVG: 2213600 57.1381 -40.0673 -39.1737 -40.0673 -11.5358 35.4372 -39.1737 35.4372 -0.94804 GPRESSAVG: 2213600 58.5884 -36.4843 -37.8098 -40.791 -10.9768 35.5687 -41.4762 36.3996 -2.96848 TIMING: 2213600 CPU: 7067.92, 0.00318224/step Wall: 7067.92, 0.00318224/step, 2.46305 hours remaining, 240.347656 MB of memory in use. ENERGY: 2213600 3915.7510 20472.4218 14425.1915 255.8191 -203646.4052 2526.9138 0.0000 0.0000 52198.0705 -109852.2375 299.9830 -162050.3080 -109497.3769 299.2655 1.5701 29.0324 761341.2445 14.8847 14.8811 PRESSURE: 2213800 194.203 -143.658 148.194 -143.658 22.0034 -201.864 148.194 -201.864 -104.061 GPRESSURE: 2213800 174.691 -205.594 110.929 -60.2824 102.422 -265.058 41.4402 -91.5237 -74.0455 PRESSAVG: 2213800 99.1124 -3.87996 -19.7112 -3.87996 0.829759 6.15037 -19.7113 6.15037 -6.64448 GPRESSAVG: 2213800 98.2147 -6.83409 -20.1763 -2.45021 0.777515 7.43625 -19.9555 5.47773 -5.8977 TIMING: 2213800 CPU: 7068.56, 0.00317446/step Wall: 7068.56, 0.00317446/step, 2.45685 hours remaining, 240.347656 MB of memory in use. ENERGY: 2213800 3973.5500 20548.1463 14448.7999 240.8111 -203720.1500 2679.9382 0.0000 0.0000 51818.4426 -110010.4619 297.8013 -161828.9045 -109652.6657 298.5227 37.3819 67.6890 760907.4089 31.0992 31.0315 PRESSURE: 2214000 -17.5022 46.9381 -87.9267 46.9381 -81.2432 48.1959 -87.9268 48.1966 -268.552 GPRESSURE: 2214000 54.4157 65.659 -43.2292 23.0163 -6.95926 12.5988 -48.3953 101.002 -310.047 PRESSAVG: 2214000 44.2181 2.2788 60.7984 2.27879 -4.53845 38.7484 60.7984 38.7484 -0.938627 GPRESSAVG: 2214000 44.3852 2.42976 61.3447 1.52419 -4.21869 37.3004 63.9049 39.1891 -1.3317 TIMING: 2214000 CPU: 7069.19, 0.00316708/step Wall: 7069.19, 0.00316708/step, 2.45097 hours remaining, 240.347656 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: 2214000 4001.0411 20317.7785 14382.5929 240.2805 -203783.4934 2760.0745 0.0000 0.0000 51905.2730 -110176.4529 298.3003 -162081.7259 -109813.7481 298.5715 -122.4324 -87.5300 760288.0067 12.9137 12.9449 PRESSURE: 2214200 -249.957 0.202704 -34.6702 0.201597 139.521 -172.006 -34.6708 -172.006 -7.02775 GPRESSURE: 2214200 -144.877 -78.0008 19.7731 94.3642 138.65 -119.62 -135.668 -218.094 2.80297 PRESSAVG: 2214200 18.8675 -11.4099 -7.61694 -11.4099 4.53955 -18.2718 -7.61696 -18.2717 -5.54146 GPRESSAVG: 2214200 18.2317 -12.8611 -7.22305 -8.24434 4.54659 -15.656 -9.78476 -19.1617 -4.25194 TIMING: 2214200 CPU: 7069.82, 0.0031505/step Wall: 7069.82, 0.0031505/step, 2.43796 hours remaining, 240.347656 MB of memory in use. ENERGY: 2214200 3933.4128 20408.5890 14398.8501 244.5933 -203380.5869 2408.9057 0.0000 0.0000 51968.9641 -110017.2719 298.6664 -161986.2360 -109647.0317 298.7688 -39.1544 -1.1416 758133.6959 5.9552 6.1754 PRESSURE: 2214400 64.5191 -13.3548 38.9957 -13.3546 -91.5349 -151.161 38.9958 -151.162 -289.641 GPRESSURE: 2214400 50.3435 97.7135 21.7409 -40.8362 -17.0845 -213.917 0.952028 -78.859 -254.111 PRESSAVG: 2214400 11.1371 -20.103 27.8415 -20.1031 -13.8142 0.232802 27.8415 0.232774 -2.9085 GPRESSAVG: 2214400 12.8243 -17.6546 26.609 -22.4483 -14.6285 -1.90935 27.1902 0.501821 -4.10653 TIMING: 2214400 CPU: 7070.46, 0.00319338/step Wall: 7070.46, 0.00319338/step, 2.47097 hours remaining, 240.347656 MB of memory in use. ENERGY: 2214400 3990.6926 20548.5013 14341.8347 276.3258 -203523.0922 2554.6804 0.0000 0.0000 51897.7546 -109913.3028 298.2571 -161811.0574 -109553.6425 298.4908 -105.5522 -73.6175 760767.2283 -1.8619 -1.9703 PRESSURE: 2214600 -175.677 -100.071 5.412 -100.071 -246.672 51.6068 5.41289 51.6069 -213.83 GPRESSURE: 2214600 -130.562 -53.2974 -89.0285 -114.663 -198.904 40.3382 15.6409 83.5936 -205.713 PRESSAVG: 2214600 -31.289 -49.9975 9.04402 -49.9976 43.3884 0.0320023 9.04409 0.0320135 -12.185 GPRESSAVG: 2214600 -33.5905 -49.9247 9.09506 -52.2167 44.758 -0.687737 10.5392 0.858387 -11.5248 TIMING: 2214600 CPU: 7071.1, 0.00317201/step Wall: 7071.1, 0.00317201/step, 2.45425 hours remaining, 240.347656 MB of memory in use. ENERGY: 2214600 3970.4089 20364.5867 14386.2818 266.2250 -203514.8853 2385.1264 0.0000 0.0000 52080.6842 -110061.5722 299.3084 -162142.2564 -109694.6791 298.2207 -212.0597 -178.3929 761227.0110 -0.0285 -0.1191 PRESSURE: 2214800 158.912 -66.4994 400.367 -66.4984 -164.363 -187.172 400.367 -187.171 -456.697 GPRESSURE: 2214800 157.487 -20.8132 453.341 -16.6415 -190.727 -157.982 277.529 -128.178 -339.924 PRESSAVG: 2214800 0.446353 -27.1658 22.1697 -27.1658 3.70423 -17.0228 22.1697 -17.0227 9.7145 GPRESSAVG: 2214800 2.05434 -26.2633 24.1031 -25.0215 3.90228 -15.7597 19.7037 -16.3013 8.64051 TIMING: 2214800 CPU: 7071.73, 0.00319614/step Wall: 7071.73, 0.00319614/step, 2.47275 hours remaining, 240.347656 MB of memory in use. ENERGY: 2214800 4054.4576 20351.6861 14416.9731 246.6714 -203608.2269 2360.3195 0.0000 0.0000 52307.1567 -109870.9624 300.6099 -162178.1192 -109506.7353 298.8706 -154.0494 -124.3883 761432.4460 4.6217 4.8657 PRESSURE: 2215000 129.248 109.038 157.948 109.037 129.469 194.739 157.948 194.74 -191.491 GPRESSURE: 2215000 114.674 -25.1804 205.416 123.024 151.086 182.255 136.832 155.111 -107.47 PRESSAVG: 2215000 7.75474 -43.7796 32.7949 -43.7796 -2.54211 -14.6193 32.795 -14.6193 -10.898 GPRESSAVG: 2215000 9.3614 -46.3011 31.8234 -44.2156 -4.79515 -17.3042 34.8918 -17.2574 -10.71 TIMING: 2215000 CPU: 7072.38, 0.00320806/step Wall: 7072.38, 0.00320806/step, 2.48179 hours remaining, 240.347656 MB of memory in use. ENERGY: 2215000 4031.0215 20361.3017 14372.4859 245.0039 -203458.0684 2406.0079 0.0000 0.0000 52123.2150 -109919.0325 299.5528 -162042.2475 -109562.2713 298.4740 22.4090 52.7634 758794.1700 -1.8951 -2.0479 PRESSURE: 2215200 -108.845 -57.8132 -127.144 -57.8127 -173.218 -47.6984 -127.144 -47.6982 -238.403 GPRESSURE: 2215200 -16.8965 -85.9035 -151.523 96.2508 -184.291 -186.785 -67.9286 102.381 -227.227 PRESSAVG: 2215200 -17.2858 -8.75141 39.5528 -8.75136 26.1859 -20.9478 39.5528 -20.9479 19.3854 GPRESSAVG: 2215200 -19.4069 -8.21246 40.2773 -8.63462 27.4251 -18.0139 38.9892 -20.4516 20.1437 TIMING: 2215200 CPU: 7073.01, 0.00319151/step Wall: 7073.01, 0.00319151/step, 2.46881 hours remaining, 240.347656 MB of memory in use. ENERGY: 2215200 4030.6318 20524.6986 14451.6800 236.9345 -203835.1418 2726.0941 0.0000 0.0000 51914.8773 -109950.2255 298.3555 -161865.1028 -109597.2698 298.1611 -173.4888 -142.8050 759118.4152 9.4285 9.3873 PRESSURE: 2215400 208.238 -62.5583 37.2711 -62.5574 0.362794 93.6507 37.2717 93.6506 -58.5971 GPRESSURE: 2215400 199.314 57.9371 53.1058 -98.872 7.48914 56.1175 0.295783 232.448 37.8841 PRESSAVG: 2215400 31.3973 -63.4083 -7.06808 -63.4083 -28.071 25.3381 -7.06806 25.3381 -7.55832 GPRESSAVG: 2215400 32.604 -61.3795 -8.07483 -62.6495 -29.0065 23.8689 -5.01963 26.4569 -7.52775 TIMING: 2215400 CPU: 7073.65, 0.00317218/step Wall: 7073.65, 0.00317218/step, 2.45368 hours remaining, 240.347656 MB of memory in use. ENERGY: 2215400 3948.5517 20399.7850 14404.7321 235.0003 -203357.6563 2568.6804 0.0000 0.0000 51748.7953 -110052.1114 297.4010 -161800.9068 -109697.4880 298.1813 50.0012 81.5626 759176.9857 -1.4107 -1.3101 PRESSURE: 2215600 226.429 57.9751 101.615 57.9755 -50.252 -23.9404 101.614 -23.9393 593.775 GPRESSURE: 2215600 101.925 -67.9767 29.9576 69.3826 125.737 -67.482 163.885 46.7959 600.996 PRESSAVG: 2215600 -0.2034 -44.8814 35.1069 -44.8813 -34.3653 27.7069 35.1069 27.7069 14.8845 GPRESSAVG: 2215600 -0.751823 -46.4322 36.014 -44.713 -32.9535 26.8203 34.9997 27.7889 13.4959 TIMING: 2215600 CPU: 7074.29, 0.00318808/step Wall: 7074.29, 0.00318808/step, 2.4658 hours remaining, 240.347656 MB of memory in use. ENERGY: 2215600 3990.7974 20512.7863 14482.0858 251.5832 -203570.1624 2473.8623 0.0000 0.0000 51752.7219 -110106.3255 297.4236 -161859.0474 -109745.8838 297.7702 256.6505 276.2196 760612.9903 -6.5614 -6.7365 PRESSURE: 2215800 -143.285 -68.3761 -33.3603 -68.3766 -274.225 106.881 -33.3598 106.881 -30.4267 GPRESSURE: 2215800 -112.481 -180.349 89.2186 -179.723 -190.182 115.2 -18.3131 140.42 -72.3728 PRESSAVG: 2215800 -7.26931 -12.4349 15.9653 -12.4349 -9.45832 11.0887 15.9653 11.0887 16.6986 GPRESSAVG: 2215800 -7.11776 -12.0877 15.6634 -14.5088 -9.73207 12.8184 14.523 11.1461 16.7334 TIMING: 2215800 CPU: 7074.92, 0.00315077/step Wall: 7074.92, 0.00315077/step, 2.43677 hours remaining, 240.347656 MB of memory in use. ENERGY: 2215800 4029.7073 20487.9801 14413.2392 261.4860 -203752.7802 2712.9581 0.0000 0.0000 51763.0065 -110084.4030 297.4827 -161847.4095 -109728.8661 297.9994 -149.3122 -125.0121 761591.7920 -0.0097 -0.0388 PRESSURE: 2216000 -2.87476 -94.4065 192.202 -94.4051 116.094 -107.59 192.202 -107.589 -292.433 GPRESSURE: 2216000 61.7126 -58.0873 168.986 -129.287 174.978 -90.9063 7.89718 79.4295 -350.554 PRESSAVG: 2216000 36.5775 -2.62684 68.3912 -2.62681 -62.778 23.4149 68.3912 23.4149 13.1858 GPRESSAVG: 2216000 35.6258 -3.78004 69.8929 -1.00814 -63.615 24.2042 67.8654 24.3633 14.5422 TIMING: 2216000 CPU: 7075.55, 0.00317172/step Wall: 7075.55, 0.00317172/step, 2.45279 hours remaining, 240.347656 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: 2216000 3962.0708 20413.7596 14448.6186 251.6960 -203869.9420 2686.7193 0.0000 0.0000 52202.4754 -109904.6022 300.0083 -162107.0777 -109554.9981 298.2667 -59.7379 -37.9544 760235.7998 -4.3382 -4.4824 PRESSURE: 2216200 243.916 29.7054 -20.5685 29.7057 219.764 254.606 -20.5695 254.606 268.856 GPRESSURE: 2216200 337.563 189.199 46.5781 80.8834 83.2164 233.159 -17.8053 146.867 400.796 PRESSAVG: 2216200 -22.7788 -1.6347 67.9307 -1.63474 -8.14565 -47.0163 67.9307 -47.0163 -15.498 GPRESSAVG: 2216200 -21.7855 0.0377372 66.2196 -3.32683 -8.12592 -47.5075 68.7776 -48.3885 -15.8035 TIMING: 2216200 CPU: 7076.18, 0.00317042/step Wall: 7076.18, 0.00317042/step, 2.45162 hours remaining, 240.347656 MB of memory in use. ENERGY: 2216200 3954.7345 20461.7940 14509.3618 258.8020 -203362.6645 2612.7718 0.0000 0.0000 51818.3783 -109746.8221 297.8009 -161565.2004 -109405.5132 298.2996 244.1784 273.8585 762152.6559 -15.4742 -15.2383 LDB: ============= START OF LOAD BALANCING ============== 7088.64 LDB: ============== END OF LOAD BALANCING =============== 7088.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7088.64 LDB: ============= START OF LOAD BALANCING ============== 7088.96 LDB: Largest compute 7076 load 0.037104 is 19.0% of average load 0.195325 LDB: Average compute 0.004375 is 2.2% of average load 0.195325 LDB: TIME 7088.96 LOAD: AVG 0.195325 MAX 0.213422 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.402 MB LDB: TIME 7088.96 LOAD: AVG 0.195325 MAX 0.213422 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.605 MB LDB: TIME 7088.96 LOAD: AVG 0.195325 MAX 0.213422 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.605 MB LDB: ============== END OF LOAD BALANCING =============== 7088.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7088.97 PRESSURE: 2216400 -415.43 -170.18 -45.5603 -170.179 -55.9216 26.3743 -45.56 26.3752 -117.67 GPRESSURE: 2216400 -268.398 -211.43 53.2413 -159.372 -90.94 -57.1876 32.3491 49.254 -145.667 PRESSAVG: 2216400 -0.92707 -37.2806 33.5733 -37.2805 30.2549 12.3213 33.5734 12.3214 -5.44348 GPRESSAVG: 2216400 0.110172 -38.2497 34.8355 -35.5419 29.7818 10.3556 33.4827 12.5738 -5.8869 TIMING: 2216400 CPU: 7076.84, 0.00325154/step Wall: 7076.84, 0.00325154/step, 2.51416 hours remaining, 241.117188 MB of memory in use. ENERGY: 2216400 3972.1659 20341.5303 14486.9788 257.7980 -203459.3163 2488.4130 0.0000 0.0000 51880.3582 -110032.0721 298.1571 -161912.4303 -109671.1351 298.3770 -196.3405 -168.3351 760644.4674 7.9615 8.0017 PRESSURE: 2216600 169.156 27.3054 -271.319 27.3048 -144.894 -61.5274 -271.318 -61.5279 98.6463 GPRESSURE: 2216600 100.35 -12.1325 -242.557 15.8373 -15.7811 -33.957 -262.561 -95.311 129.096 PRESSAVG: 2216600 20.121 -14.7788 -10.7307 -14.7788 19.6033 4.65764 -10.7307 4.65753 20.4554 GPRESSAVG: 2216600 18.6244 -16.0877 -10.1287 -15.6686 21.8305 6.25028 -12.8704 5.27771 20.0415 TIMING: 2216600 CPU: 7077.47, 0.00318817/step Wall: 7077.47, 0.00318817/step, 2.46499 hours remaining, 241.320312 MB of memory in use. ENERGY: 2216600 3907.6881 20268.9752 14381.3522 253.5628 -203492.8141 2731.7354 0.0000 0.0000 51933.0268 -110016.4736 298.4598 -161949.5004 -109657.9461 297.7209 40.9692 71.2217 761622.2099 20.0599 20.1655 PRESSURE: 2216800 -125.485 69.6145 318.898 69.6158 -271.158 103.885 318.898 103.886 -201.012 GPRESSURE: 2216800 -176.423 39.3998 361.218 125.886 -234.287 8.99132 320.259 96.3799 -122.677 PRESSAVG: 2216800 -1.25836 -24.079 25.3266 -24.079 2.71132 10.5743 25.3266 10.5743 -13.4215 GPRESSAVG: 2216800 -1.08927 -21.9063 23.9781 -24.5385 2.03459 9.51111 26.9056 11.4239 -13.2308 TIMING: 2216800 CPU: 7078.11, 0.0031823/step Wall: 7078.11, 0.0031823/step, 2.46027 hours remaining, 241.320312 MB of memory in use. ENERGY: 2216800 4045.8226 20245.4472 14465.5964 252.4095 -203370.3251 2402.7786 0.0000 0.0000 52090.7710 -109867.5000 299.3664 -161958.2710 -109504.4025 298.6614 -199.2182 -177.7958 760688.7140 -3.9895 -4.0952 PRESSURE: 2217000 -650.027 47.7691 -113.208 47.7698 94.0421 109.621 -113.207 109.621 415.636 GPRESSURE: 2217000 -555.155 123.052 -177.761 31.3336 34.5595 100.636 -119.382 -23.195 468.392 PRESSAVG: 2217000 -18.2711 -27.3341 79.5548 -27.3342 0.343939 -19.9277 79.5548 -19.9277 19.1133 GPRESSAVG: 2217000 -17.7049 -28.5258 78.1991 -25.9173 0.116182 -18.405 79.7934 -20.6739 19.1847 TIMING: 2217000 CPU: 7078.75, 0.00319109/step Wall: 7078.75, 0.00319109/step, 2.46689 hours remaining, 241.320312 MB of memory in use. ENERGY: 2217000 3933.7440 20358.2615 14444.9092 251.7331 -203419.3617 2646.1123 0.0000 0.0000 51742.9594 -110041.6421 297.3675 -161784.6015 -109677.4660 298.7705 -46.7831 -17.4013 762520.4579 0.3954 0.5320 PRESSURE: 2217200 6.24951 -48.0414 -65.3129 -48.0411 -104.063 -166.308 -65.313 -166.309 114.625 GPRESSURE: 2217200 30.7995 88.4511 -18.4033 -135.917 -112.324 -77.1335 43.9289 -239.39 167.894 PRESSAVG: 2217200 -44.1486 -0.378526 42.7153 -0.378516 36.0727 8.14912 42.7154 8.14905 5.01081 GPRESSAVG: 2217200 -44.6853 -0.0363977 44.2968 -0.324938 35.7341 7.31698 42.6506 8.39673 6.14536 TIMING: 2217200 CPU: 7079.38, 0.00317947/step Wall: 7079.38, 0.00317947/step, 2.45773 hours remaining, 241.320312 MB of memory in use. ENERGY: 2217200 3972.2228 20567.8216 14420.2649 236.3021 -203425.6120 2391.6829 0.0000 0.0000 51884.0793 -109953.2383 298.1785 -161837.3177 -109602.2163 297.9617 5.6040 28.7895 761146.1330 -1.0217 -0.9353 PRESSURE: 2217400 76.426 -96.2402 -63.0669 -96.2397 149.71 23.4578 -63.0677 23.4574 -556.518 GPRESSURE: 2217400 133.574 -211.382 3.30429 -78.726 109.823 69.1129 -107.197 9.85836 -495.353 PRESSAVG: 2217400 8.34958 -15.4393 13.4151 -15.4393 5.62599 17.6326 13.4151 17.6326 18.8223 GPRESSAVG: 2217400 10.126 -15.3752 12.6043 -16.6918 4.76641 16.5614 13.6146 17.0836 18.3014 TIMING: 2217400 CPU: 7080.02, 0.00318904/step Wall: 7080.02, 0.00318904/step, 2.46495 hours remaining, 241.320312 MB of memory in use. ENERGY: 2217400 4040.0886 20486.9300 14423.4860 237.4360 -203817.6865 2726.6310 0.0000 0.0000 51977.2105 -109925.9044 298.7137 -161903.1149 -109560.7058 298.3068 -110.1271 -83.9854 760910.4595 10.9326 11.0646 PRESSURE: 2217600 55.8962 297.074 150.972 297.073 4.80866 -140.11 150.972 -140.11 -65.0723 GPRESSURE: 2217600 67.9521 310.141 92.6892 236.807 125.726 -163.843 103.252 -67.7962 -124.616 PRESSAVG: 2217600 -4.84014 -6.57205 -3.09722 -6.57207 -19.7363 5.06056 -3.09717 5.06062 -23.0545 GPRESSAVG: 2217600 -5.85016 -8.36969 -2.59673 -4.14592 -18.4207 5.71227 -2.7833 5.27648 -23.3974 TIMING: 2217600 CPU: 7080.66, 0.0031838/step Wall: 7080.66, 0.0031838/step, 2.46072 hours remaining, 241.320312 MB of memory in use. ENERGY: 2217600 4024.1098 20372.3096 14440.9694 247.8798 -203133.0183 2392.0576 0.0000 0.0000 51794.5195 -109861.1725 297.6638 -161655.6920 -109500.5109 298.2261 -1.4558 23.0206 761120.6810 -15.8770 -15.8894 PRESSURE: 2217800 -420.419 -19.9691 65.7276 -19.9695 -130.313 44.193 65.7272 44.1938 -90.9322 GPRESSURE: 2217800 -576.641 52.4889 194.577 -41.0755 3.08308 112.527 93.9466 124.523 -3.07939 PRESSAVG: 2217800 -2.51014 3.78392 32.0689 3.78386 -11.9652 -31.7949 32.0689 -31.795 14.6589 GPRESSAVG: 2217800 -3.45239 6.23592 33.2836 3.03154 -11.7033 -31.5855 31.6564 -31.7915 15.7999 TIMING: 2217800 CPU: 7081.3, 0.00321068/step Wall: 7081.3, 0.00321068/step, 2.48132 hours remaining, 241.320312 MB of memory in use. ENERGY: 2217800 4028.3616 20385.8740 14323.8160 259.7326 -203312.9690 2491.0330 0.0000 0.0000 51827.7731 -109996.3787 297.8549 -161824.1517 -109635.9557 298.3000 -213.8881 -192.2125 762347.9355 0.0612 0.2147 PRESSURE: 2218000 -195.064 -101.997 114.236 -101.997 -287.971 -145.686 114.237 -145.685 -254.174 GPRESSURE: 2218000 -101.143 -62.5608 59.3821 -164.123 -299.178 -267.29 -58.4939 -153.088 -235.492 PRESSAVG: 2218000 17.6774 47.4121 27.598 47.4121 23.7632 1.22562 27.598 1.22564 -11.6718 GPRESSAVG: 2218000 17.8901 46.8132 25.4721 46.4937 23.9729 5.23195e-05 27.4581 2.20373 -12.7877 TIMING: 2218000 CPU: 7081.94, 0.00318334/step Wall: 7081.94, 0.00318334/step, 2.46002 hours remaining, 241.320312 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: 2218000 4056.9914 20361.2597 14464.7980 233.8043 -203615.1688 2726.0302 0.0000 0.0000 51922.4155 -109849.8697 298.3988 -161772.2853 -109485.6136 298.7773 -245.7363 -211.9378 760205.2842 9.9229 9.6918 PRESSURE: 2218200 -559.824 110.498 18.7665 110.498 -80.9321 76.9932 18.7659 76.9928 -176.003 GPRESSURE: 2218200 -417.063 147.979 -49.8195 129.341 -152.431 -12.7522 117.234 133.298 -153.216 PRESSAVG: 2218200 91.2951 -17.4449 -7.44538 -17.4449 -76.7537 -13.9121 -7.44537 -13.9121 5.03735 GPRESSAVG: 2218200 91.9293 -16.9315 -7.58628 -18.3877 -77.8745 -13.1372 -5.49423 -16.0716 4.98224 TIMING: 2218200 CPU: 7082.58, 0.00319444/step Wall: 7082.58, 0.00319445/step, 2.46842 hours remaining, 241.320312 MB of memory in use. ENERGY: 2218200 4065.3253 20539.5890 14425.1669 263.6891 -203483.6920 2473.0336 0.0000 0.0000 51807.8344 -109909.0537 297.7403 -161716.8881 -109552.9635 298.3575 -272.2529 -240.9031 759678.7542 6.5263 6.3457 PRESSURE: 2218400 -369.31 -265.217 43.2787 -265.218 -76.5195 175.106 43.2782 175.105 -133.798 GPRESSURE: 2218400 -360.043 -232.068 66.7824 -310.168 32.2553 309.952 -132.024 203.531 -176.507 PRESSAVG: 2218400 14.6724 15.84 42.9258 15.84 -8.66972 -3.36702 42.9258 -3.36705 7.19654 GPRESSAVG: 2218400 13.9926 14.6846 44.0585 18.6566 -7.60176 -3.65194 41.7491 -2.0626 6.9028 TIMING: 2218400 CPU: 7083.21, 0.00319128/step Wall: 7083.21, 0.00319128/step, 2.46579 hours remaining, 241.320312 MB of memory in use. ENERGY: 2218400 3987.2895 20501.6884 14408.3455 252.1977 -203804.7716 2670.4806 0.0000 0.0000 52280.1969 -109704.5732 300.4550 -161984.7700 -109344.3550 298.7667 -193.2092 -168.0983 761310.7486 4.3997 4.4312 PRESSURE: 2218600 -74.6539 165.3 -254.825 165.3 -143.556 -176.723 -254.825 -176.722 -2.84851 GPRESSURE: 2218600 -2.05525 100.983 -161.145 255.796 -135.654 -158.61 -274.215 -184.044 14.4725 PRESSAVG: 2218600 64.1698 4.95308 -3.7057 4.9531 -30.7873 33.4533 -3.70568 33.4532 6.25726 GPRESSAVG: 2218600 64.9366 5.81018 -3.43808 4.42635 -31.6262 33.0764 -4.04831 34.4311 6.74908 TIMING: 2218600 CPU: 7083.86, 0.00320913/step Wall: 7083.86, 0.00320913/step, 2.47941 hours remaining, 241.320312 MB of memory in use. ENERGY: 2218600 4015.5011 20432.9173 14344.3383 254.7096 -203393.0871 2535.0543 0.0000 0.0000 52019.7402 -109790.8263 298.9582 -161810.5665 -109431.5809 298.8057 -73.6863 -41.0791 761201.7498 13.2133 13.3531 PRESSURE: 2218800 -62.9632 -146.426 80.9345 -146.427 -7.67763 66.6907 80.934 66.6899 -207.267 GPRESSURE: 2218800 48.8444 -197.25 0.346445 -30.7739 -64.0828 -7.75958 155.374 52.7107 -181.816 PRESSAVG: 2218800 35.7451 -28.1417 -53.949 -28.1417 -13.1304 -0.369885 -53.9489 -0.369913 -22.2997 GPRESSAVG: 2218800 36.3893 -24.8804 -53.8495 -28.9987 -14.123 0.643018 -53.8022 -3.56196 -21.6459 TIMING: 2218800 CPU: 7084.5, 0.00319874/step Wall: 7084.5, 0.00319874/step, 2.4712 hours remaining, 241.320312 MB of memory in use. ENERGY: 2218800 3965.8909 20528.6668 14460.3299 247.7325 -203490.3207 2535.5970 0.0000 0.0000 51976.8604 -109775.2432 298.7117 -161752.1036 -109419.7521 298.5313 -92.6358 -65.6847 761499.6655 0.1050 0.2068 PRESSURE: 2219000 -290.416 -56.9903 110.304 -56.9908 -263.759 188.922 110.303 188.922 -39.3361 GPRESSURE: 2219000 -275.732 -121.66 51.2538 -88.0248 -213.482 238.539 166.68 208.486 -37.6965 PRESSAVG: 2219000 43.5938 -22.566 34.9756 -22.5659 -39.9329 30.4049 34.9756 30.4049 -1.96498 GPRESSAVG: 2219000 42.1992 -27.1162 34.7418 -22.4717 -38.467 31.1424 33.4255 32.9543 -2.44295 TIMING: 2219000 CPU: 7085.14, 0.00320828/step Wall: 7085.14, 0.00320828/step, 2.4784 hours remaining, 241.320312 MB of memory in use. ENERGY: 2219000 3957.3120 20390.7867 14439.8763 258.3435 -203132.3944 2479.1719 0.0000 0.0000 51896.7027 -109710.2012 298.2511 -161606.9040 -109337.9104 299.4134 -197.8372 -175.6367 762447.3851 0.5653 0.4298 PRESSURE: 2219200 -338.153 48.5866 12.9511 48.5879 250.669 -61.191 12.9497 -61.1904 -40.162 GPRESSURE: 2219200 -355.365 79.9678 20.1288 -42.8527 296.582 -60.1993 -85.2054 -135.213 33.0132 PRESSAVG: 2219200 43.2166 -46.9996 56.8751 -46.9996 -19.4937 9.92764 56.8751 9.92763 24.1128 GPRESSAVG: 2219200 43.8212 -47.258 56.2657 -46.3399 -19.901 9.03822 58.3191 10.4255 23.5162 TIMING: 2219200 CPU: 7085.77, 0.00318804/step Wall: 7085.77, 0.00318804/step, 2.46258 hours remaining, 241.320312 MB of memory in use. ENERGY: 2219200 4016.7061 20352.0272 14458.9968 245.9653 -203524.8405 2646.2476 0.0000 0.0000 52173.1463 -109631.7512 299.8398 -161804.8975 -109276.9404 299.0478 -42.5485 -8.5899 761139.7678 15.9452 15.8121 PRESSURE: 2219400 126.267 -68.051 -25.2798 -68.0495 30.4763 -41.863 -25.2796 -41.8631 -295.592 GPRESSURE: 2219400 102.264 -164.607 -33.8837 -25.2089 74.184 -52.0401 -72.6053 3.85338 -249.255 PRESSAVG: 2219400 15.8947 -14.3109 7.35596 -14.3109 -32.0049 -49.9547 7.35599 -49.9547 -7.04853 GPRESSAVG: 2219400 14.9974 -12.7562 7.81022 -16.5726 -32.1263 -49.1547 6.09382 -50.1467 -5.82062 TIMING: 2219400 CPU: 7086.42, 0.0032035/step Wall: 7086.42, 0.0032035/step, 2.47435 hours remaining, 241.320312 MB of memory in use. ENERGY: 2219400 3981.2887 20427.7143 14509.6200 246.1069 -203558.0055 2704.5571 0.0000 0.0000 52151.6748 -109537.0436 299.7164 -161688.7184 -109167.4692 299.2321 -46.2829 -24.2689 761329.0792 -7.7196 -7.6499 PRESSURE: 2219600 369.919 119.37 -68.906 119.37 66.5415 116.561 -68.9057 116.561 -550.845 GPRESSURE: 2219600 310.049 81.9682 -86.146 189.199 132.179 113.296 -112.824 198.523 -455.792 PRESSAVG: 2219600 28.8896 12.4505 -31.5595 12.4506 -6.9423 4.35027 -31.5595 4.35028 -7.63094 GPRESSAVG: 2219600 28.0968 12.339 -32.0873 15.2322 -6.16634 5.28867 -29.6366 2.26734 -8.08738 TIMING: 2219600 CPU: 7087.05, 0.00318963/step Wall: 7087.05, 0.00318963/step, 2.46346 hours remaining, 241.320312 MB of memory in use. ENERGY: 2219600 3984.8766 20350.2879 14434.1622 235.4516 -203828.2761 2892.2409 0.0000 0.0000 52338.9966 -109592.2603 300.7929 -161931.2569 -109231.1781 299.4824 -38.1281 -4.5215 760941.9817 4.7721 4.6144 PRESSURE: 2219800 360.682 -54.4299 -156.486 -54.4299 -379.642 -106.844 -156.485 -106.844 120.83 GPRESSURE: 2219800 371.951 -95.9064 -165.937 -73.5008 -290.072 -179.303 -174.087 -97.4553 108.615 PRESSAVG: 2219800 50.1196 -5.37987 -28.0141 -5.37989 -98.6046 -14.6575 -28.0141 -14.6575 -16.4874 GPRESSAVG: 2219800 50.8367 -6.82588 -28.7599 -5.86982 -100.259 -16.4468 -26.4268 -13.7252 -15.75 TIMING: 2219800 CPU: 7087.69, 0.00317853/step Wall: 7087.69, 0.00317853/step, 2.45471 hours remaining, 241.320312 MB of memory in use. ENERGY: 2219800 3923.9052 20501.7084 14464.4708 239.5378 -203229.1100 2624.6412 0.0000 0.0000 52000.1433 -109474.7033 298.8455 -161474.8466 -109109.0150 299.0475 33.9567 63.4981 763854.2554 -21.6575 -21.7242 PRESSURE: 2220000 28.0155 196.577 217.711 196.577 -398.596 93.5252 217.71 93.5245 -286.418 GPRESSURE: 2220000 25.9589 307.196 146.443 1.66142 -381.943 98.1853 225.985 19.2143 -198.537 PRESSAVG: 2220000 43.3349 10.2334 -25.3589 10.2334 -55.3072 29.1634 -25.3589 29.1634 -4.92128 GPRESSAVG: 2220000 41.9093 10.0233 -26.3679 10.6929 -54.0593 27.9469 -25.9558 29.5472 -4.871 TIMING: 2220000 CPU: 7088.33, 0.00319978/step Wall: 7088.33, 0.00319978/step, 2.47094 hours remaining, 241.320312 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: 2220000 3993.3393 20496.9249 14455.8992 249.3715 -203365.8869 2792.7689 0.0000 0.0000 51810.1151 -109567.4681 297.7534 -161377.5831 -109211.9654 298.7133 -218.9996 -184.8404 760361.6908 -5.6312 -5.6737 PRESSURE: 2220200 -127.265 -102.336 -61.0015 -102.338 -258.605 -125.146 -61.0018 -125.148 -198.582 GPRESSURE: 2220200 -53.7321 -136.21 -92.1123 -166.946 -248.45 -122.364 56.5639 -69.6047 -197.817 PRESSAVG: 2220200 7.10939 2.84539 20.6821 2.84542 -35.0556 -11.1459 20.6821 -11.1459 7.43091 GPRESSAVG: 2220200 7.71289 6.56085 21.9509 0.480549 -35.1372 -10.2304 19.634 -9.22232 6.34692 TIMING: 2220200 CPU: 7088.97, 0.0032068/step Wall: 7088.97, 0.0032068/step, 2.47618 hours remaining, 241.320312 MB of memory in use. ENERGY: 2220200 4003.8453 20261.2549 14417.5062 252.8381 -203122.2430 2559.5675 0.0000 0.0000 51887.7768 -109739.4543 298.1998 -161627.2311 -109376.3630 298.8094 -194.8174 -166.6665 762042.9032 -6.8384 -7.0258 LDB: ============= START OF LOAD BALANCING ============== 7101.43 LDB: ============== END OF LOAD BALANCING =============== 7101.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7101.43 LDB: ============= START OF LOAD BALANCING ============== 7101.75 LDB: Largest compute 7076 load 0.036480 is 18.7% of average load 0.195262 LDB: Average compute 0.004385 is 2.2% of average load 0.195262 LDB: TIME 7101.75 LOAD: AVG 0.195262 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 7101.75 LOAD: AVG 0.195262 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 7101.76 LOAD: AVG 0.195262 MAX 0.213491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 7101.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7101.76 PRESSURE: 2220400 -256.736 -146.938 170.947 -146.938 46.6916 -232.173 170.946 -232.174 -677.213 GPRESSURE: 2220400 -157.724 -130.887 266.973 -85.5101 -11.4855 -75.7314 134.123 -215.581 -629.128 PRESSAVG: 2220400 45.2905 -52.5685 20.6135 -52.5684 -35.8916 -40.5264 20.6135 -40.5264 7.24495 GPRESSAVG: 2220400 45.8787 -53.8968 21.1773 -51.0971 -36.3751 -39.6653 22.4192 -41.024 7.45633 TIMING: 2220400 CPU: 7089.63, 0.00328135/step Wall: 7089.63, 0.00328135/step, 2.53357 hours remaining, 240.093750 MB of memory in use. ENERGY: 2220400 4012.0912 20290.4337 14428.1354 238.4138 -202810.3854 2120.8530 0.0000 0.0000 52107.4169 -109613.0414 299.4620 -161720.4583 -109250.8287 298.5020 -295.7524 -266.1127 762410.9912 5.5479 5.6533 PRESSURE: 2220600 228.76 -211.501 -140.718 -211.5 69.9891 38.3274 -140.718 38.3276 130.307 GPRESSURE: 2220600 226.741 -197.5 -110.56 -74.2252 51.2793 133.734 -332.117 -116.371 215.486 PRESSAVG: 2220600 -1.02106 -12.4042 3.18366 -12.4042 -44.4727 -0.309697 3.18369 -0.309772 3.63543 GPRESSAVG: 2220600 -1.83949 -12.0007 2.79541 -12.2159 -44.3413 -0.437351 1.07102 -2.27997 3.90567 TIMING: 2220600 CPU: 7090.27, 0.00319637/step Wall: 7090.27, 0.00319637/step, 2.46777 hours remaining, 240.296875 MB of memory in use. ENERGY: 2220600 3995.5680 20380.2745 14384.9319 260.8363 -203492.1027 2674.3473 0.0000 0.0000 52158.5198 -109637.6248 299.7557 -161796.1446 -109275.4225 298.9745 143.0185 164.5023 762416.7989 -13.9528 -14.0917 PRESSURE: 2220800 52.8422 53.2101 18.6874 53.2102 22.2686 26.4344 18.6876 26.4339 -281.553 GPRESSURE: 2220800 108.941 -24.5813 19.3709 -24.3578 -4.88216 124.232 41.8326 -19.414 -233.524 PRESSAVG: 2220800 11.6937 -81.3768 4.92749 -81.3767 6.34679 -53.8564 4.92753 -53.8564 18.1716 GPRESSAVG: 2220800 11.6087 -81.5414 5.88721 -82.8017 7.07541 -54.936 6.11941 -52.5912 18.2484 TIMING: 2220800 CPU: 7090.9, 0.00319541/step Wall: 7090.9, 0.00319541/step, 2.46686 hours remaining, 240.296875 MB of memory in use. ENERGY: 2220800 3992.4348 20488.1853 14444.2371 237.5698 -203267.0777 2527.0182 0.0000 0.0000 52096.9660 -109480.6666 299.4020 -161577.6326 -109112.8827 299.2925 -68.8140 -43.1549 761093.0044 12.0707 12.3108 PRESSURE: 2221000 8.35695 14.6684 -169.929 14.6684 394.289 128.501 -169.929 128.5 162.363 GPRESSURE: 2221000 35.947 44.2224 -223.584 -35.6793 433.997 223.729 -209.361 216.873 179.025 PRESSAVG: 2221000 9.51864 -79.6791 -22.9212 -79.6791 -39.5155 -0.604461 -22.9211 -0.604438 -9.68791 GPRESSAVG: 2221000 10.3542 -81.0794 -23.7767 -79.2359 -40.9267 0.628403 -23.2015 -0.968155 -9.43337 TIMING: 2221000 CPU: 7091.55, 0.00320244/step Wall: 7091.55, 0.00320244/step, 2.47211 hours remaining, 240.296875 MB of memory in use. ENERGY: 2221000 4016.3693 20581.6072 14431.1641 247.8790 -203543.0405 2824.1674 0.0000 0.0000 51885.6743 -109556.1791 298.1877 -161441.8534 -109199.6208 298.9895 188.3363 216.3228 761544.7155 -13.2283 -13.3353 PRESSURE: 2221200 161.426 108.757 83.568 108.757 -353.454 58.9067 83.568 58.9066 -81.2281 GPRESSURE: 2221200 167.963 102.694 43.8302 106.896 -255.406 54.4219 197.6 -5.72511 -104.088 PRESSAVG: 2221200 20.5218 -4.36358 34.7385 -4.3635 -7.77565 -10.2474 34.7385 -10.2474 4.21743 GPRESSAVG: 2221200 19.9791 -4.29889 35.9025 -4.03897 -5.6862 -11.4717 33.9266 -10.204 3.16449 TIMING: 2221200 CPU: 7092.19, 0.00320219/step Wall: 7092.19, 0.00320219/step, 2.47173 hours remaining, 240.296875 MB of memory in use. ENERGY: 2221200 4011.5574 20398.1592 14529.9705 257.0942 -203166.1291 2268.1588 0.0000 0.0000 52186.2082 -109514.9808 299.9149 -161701.1891 -109140.9304 299.1910 -91.0852 -63.8437 763534.6618 5.6545 5.8191 PRESSURE: 2221400 -179.775 -124.395 222.51 -124.394 -180.794 -27.6009 222.51 -27.6006 -15.4445 GPRESSURE: 2221400 -172.235 -144.447 298.876 -44.2756 -154.144 -62.8509 172.511 57.4242 42.3273 PRESSAVG: 2221400 69.2771 -27.1218 48.086 -27.1217 -58.7049 -35.7746 48.086 -35.7747 -9.3715 GPRESSAVG: 2221400 69.5976 -27.4506 48.6099 -25.1435 -59.7916 -34.426 48.2037 -36.4872 -8.29886 TIMING: 2221400 CPU: 7092.83, 0.00320761/step Wall: 7092.83, 0.00320761/step, 2.47574 hours remaining, 240.296875 MB of memory in use. ENERGY: 2221400 3974.1657 20552.8897 14347.3861 238.2308 -203647.5161 2807.7542 0.0000 0.0000 52109.2809 -109617.8087 299.4728 -161727.0895 -109249.0351 299.2972 -125.3380 -94.6838 763013.9419 0.4002 0.5024 PRESSURE: 2221600 119.339 100.437 -16.6804 100.437 -15.4025 -78.5379 -16.6797 -78.5377 34.2212 GPRESSURE: 2221600 209.96 207.123 -84.8924 44.0364 18.3929 -77.3103 -124.969 -121.852 -8.38377 PRESSAVG: 2221600 52.6421 -19.4265 -22.0785 -19.4264 -20.7673 -30.3505 -22.0785 -30.3505 -10.1208 GPRESSAVG: 2221600 52.6327 -18.6965 -22.1735 -20.8208 -21.0885 -31.4228 -22.6969 -29.1142 -9.67192 TIMING: 2221600 CPU: 7093.46, 0.00317757/step Wall: 7093.46, 0.00317757/step, 2.45238 hours remaining, 240.296875 MB of memory in use. ENERGY: 2221600 4008.1965 20515.9400 14462.6030 255.0213 -203526.2222 2466.1612 0.0000 0.0000 52096.6565 -109721.6438 299.4002 -161818.3002 -109357.3839 298.8143 46.0525 73.3232 761704.9875 7.2513 7.2908 PRESSURE: 2221800 219.74 -135.027 95.1517 -135.027 104.294 83.6958 95.1514 83.6965 7.79969 GPRESSURE: 2221800 209.196 -146.054 69.2481 -104.526 143.043 49.815 -13.7519 83.7547 61.0553 PRESSAVG: 2221800 1.01027 -48.1318 7.76878 -48.1318 8.17075 -9.82427 7.76884 -9.82428 -9.93865 GPRESSAVG: 2221800 0.695861 -49.599 5.98019 -46.3749 8.47637 -10.2693 8.6783 -8.61967 -9.9641 TIMING: 2221800 CPU: 7094.1, 0.00317485/step Wall: 7094.1, 0.00317485/step, 2.4501 hours remaining, 240.296875 MB of memory in use. ENERGY: 2221800 3987.2254 20579.1771 14445.9414 229.7342 -203413.3285 2759.4450 0.0000 0.0000 51649.6666 -109762.1388 296.8313 -161411.8054 -109419.4416 298.8322 110.6114 137.7648 761011.4588 -0.2525 -0.2640 PRESSURE: 2222000 150.102 -201.308 -26.3395 -201.308 163.991 -256.058 -26.3396 -256.057 133.471 GPRESSURE: 2222000 217.014 -154.117 43.6778 -79.3161 108.869 -286.929 11.4915 -248.486 201.572 PRESSAVG: 2222000 3.61248 -29.9752 6.83084 -29.9753 5.00581 -52.2882 6.83087 -52.2882 -3.51234 GPRESSAVG: 2222000 4.67072 -29.1174 6.89898 -31.7036 4.00801 -51.392 8.91137 -53.6417 -3.53969 TIMING: 2222000 CPU: 7094.74, 0.00319358/step Wall: 7094.74, 0.00319359/step, 2.46438 hours remaining, 240.296875 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: 2222000 3938.3188 20428.2460 14394.3317 258.0278 -203661.4697 2624.6829 0.0000 0.0000 52095.3848 -109922.4777 299.3929 -162017.8625 -109553.9568 298.6481 149.1881 175.8184 759403.1345 1.7020 1.7130 PRESSURE: 2222200 -526.821 3.91479 152.073 3.91537 75.9431 230.592 152.072 230.593 -735.06 GPRESSURE: 2222200 -345.568 -69.9385 17.786 4.49032 -37.2531 211.276 173.278 198.299 -712.558 PRESSAVG: 2222200 34.2044 -68.8926 -4.84988 -68.8926 -43.1463 -51.6798 -4.84991 -51.6797 -15.0508 GPRESSAVG: 2222200 34.0931 -69.1618 -3.58673 -69.9473 -42.4335 -52.4744 -8.07791 -52.4255 -15.6978 TIMING: 2222200 CPU: 7095.37, 0.00318661/step Wall: 7095.37, 0.00318661/step, 2.45882 hours remaining, 240.296875 MB of memory in use. ENERGY: 2222200 4068.5287 20516.9169 14415.9092 253.3296 -203264.9749 2465.1531 0.0000 0.0000 51969.4577 -109575.6797 298.6692 -161545.1375 -109214.8951 299.0529 -395.3127 -365.1264 761249.0572 -7.9976 -8.0127 PRESSURE: 2222400 177.824 37.0821 -115.295 37.0827 -122.272 -219.949 -115.295 -219.949 -122.86 GPRESSURE: 2222400 204.246 57.929 -134.137 117.707 -80.3512 -275.969 -57.303 -160.789 -114.858 PRESSAVG: 2222400 20.2197 -20.0026 -21.0948 -20.0026 -1.20835 -21.1094 -21.0948 -21.1094 19.1001 GPRESSAVG: 2222400 19.0604 -19.6457 -21.6514 -20.5187 -1.6377 -21.3436 -19.4292 -21.8377 20.6188 TIMING: 2222400 CPU: 7096.02, 0.00320687/step Wall: 7096.02, 0.00320687/step, 2.47428 hours remaining, 240.296875 MB of memory in use. ENERGY: 2222400 3946.4536 20650.7030 14472.0812 254.1291 -203249.0743 2374.6753 0.0000 0.0000 52032.0637 -109518.9685 299.0290 -161551.0322 -109165.5381 299.6349 -22.4360 3.0122 762342.4204 12.7038 12.6805 PRESSURE: 2222600 -482.549 -341.832 -136.239 -341.832 117.766 -106.532 -136.239 -106.533 -103.181 GPRESSURE: 2222600 -343.39 -276.824 -65.78 -232.858 42.7138 -84.202 -105.079 -69.9549 -86.868 PRESSAVG: 2222600 23.2775 -68.346 -15.2577 -68.346 11.6148 -21.3409 -15.2576 -21.341 -11.2994 GPRESSAVG: 2222600 24.3329 -66.1334 -14.6817 -66.6847 12.4557 -19.838 -16.7394 -19.1642 -12.7661 TIMING: 2222600 CPU: 7096.66, 0.00321528/step Wall: 7096.66, 0.00321528/step, 2.48058 hours remaining, 240.296875 MB of memory in use. ENERGY: 2222600 4040.0660 20802.8195 14522.6530 245.2351 -203417.9725 2360.6484 0.0000 0.0000 51973.1132 -109473.4374 298.6902 -161446.5505 -109128.7541 300.0116 -155.9878 -129.1815 759972.9609 7.8643 8.0075 PRESSURE: 2222800 110.839 0.732912 -64.8182 0.732764 83.8603 -115.188 -64.8176 -115.188 -158.7 GPRESSURE: 2222800 85.0645 42.4908 -38.6272 -60.7934 181.983 -160.088 -70.348 -183.813 -158.369 PRESSAVG: 2222800 35.7124 -19.5702 -6.42311 -19.5702 18.5502 -22.0482 -6.42313 -22.0481 0.602602 GPRESSAVG: 2222800 35.9908 -19.909 -5.35284 -20.3804 18.8853 -23.4684 -5.81215 -21.2964 -0.0491365 TIMING: 2222800 CPU: 7097.3, 0.00320617/step Wall: 7097.3, 0.00320617/step, 2.47339 hours remaining, 240.296875 MB of memory in use. ENERGY: 2222800 4117.5856 20605.8434 14370.8476 243.6689 -203493.8468 2644.4698 0.0000 0.0000 52199.6300 -109311.8016 299.9920 -161511.4316 -108956.6730 299.7940 11.9997 36.2261 760927.3915 18.2884 18.2757 PRESSURE: 2223000 -1.03407 174.019 -63.6925 174.02 -126.587 -12.3106 -63.6933 -12.3098 207.818 GPRESSURE: 2223000 93.7187 226.389 2.32455 253.324 -148.193 20.2753 -83.3866 9.67471 203.986 PRESSAVG: 2223000 28.7231 -31.6171 18.1887 -31.6171 -38.9805 -25.881 18.1887 -25.8811 7.09696 GPRESSAVG: 2223000 30.0579 -33.786 15.2506 -29.9402 -40.3043 -25.0973 18.1821 -29.3038 7.48617 TIMING: 2223000 CPU: 7097.94, 0.00319485/step Wall: 7097.94, 0.00319485/step, 2.46447 hours remaining, 240.296875 MB of memory in use. ENERGY: 2223000 4020.8842 20522.6123 14425.0251 253.8634 -203766.8466 2854.6119 0.0000 0.0000 52042.9295 -109646.9202 299.0914 -161689.8497 -109288.6901 299.1443 26.7324 49.8375 761323.2456 -1.0535 -0.9201 PRESSURE: 2223200 18.6041 -26.6206 213.595 -26.62 207.143 153.77 213.595 153.769 -36.2853 GPRESSURE: 2223200 47.1664 25.4196 239.629 -46.2426 265.789 5.55583 137.328 96.8166 -28.6449 PRESSAVG: 2223200 -15.8809 -24.6682 1.93391 -24.6681 10.1601 69.0906 1.93398 69.0905 3.98465 GPRESSAVG: 2223200 -17.5483 -24.1346 3.3939 -24.7009 11.4025 67.9482 1.11235 70.4039 4.43122 TIMING: 2223200 CPU: 7098.58, 0.00320035/step Wall: 7098.58, 0.00320035/step, 2.46854 hours remaining, 240.296875 MB of memory in use. ENERGY: 2223200 4039.4155 20437.2061 14425.7848 258.9539 -203938.7811 2896.4895 0.0000 0.0000 52181.8473 -109699.0840 299.8898 -161880.9313 -109339.7960 298.9833 63.1540 94.7702 760187.7978 -0.5787 -0.5715 PRESSURE: 2223400 55.4529 -213.858 -122.466 -213.858 129.641 -52.5929 -122.466 -52.5934 -197.575 GPRESSURE: 2223400 84.8798 -189.105 -14.9083 -6.77474 155.515 -142.86 -104.407 -78.5395 -180.853 PRESSAVG: 2223400 83.3669 -51.2604 22.0088 -51.2604 -64.242 30.0443 22.0088 30.0443 19.6351 GPRESSAVG: 2223400 84.1382 -50.5082 21.0961 -50.7441 -63.765 31.8489 22.6199 29.9766 18.5892 TIMING: 2223400 CPU: 7099.22, 0.00321053/step Wall: 7099.22, 0.00321053/step, 2.47621 hours remaining, 240.296875 MB of memory in use. ENERGY: 2223400 4009.6851 20421.0010 14404.4107 248.0465 -203771.1732 2799.6468 0.0000 0.0000 52210.6967 -109677.6863 300.0556 -161888.3831 -109312.4204 299.3121 -4.1602 19.8473 759671.8473 12.9200 12.9874 PRESSURE: 2223600 447.855 -114.455 -230.082 -114.454 6.69362 132.245 -230.081 132.245 368.039 GPRESSURE: 2223600 428.881 -101.939 -192.477 -73.8272 48.7729 101.888 -272.227 125.675 421.356 PRESSAVG: 2223600 37.4625 -29.1754 19.2765 -29.1754 5.28679 35.6401 19.2765 35.6401 21.9731 GPRESSAVG: 2223600 36.4948 -28.2303 18.5718 -29.309 5.09889 33.5874 19.0264 37.1908 22.6628 TIMING: 2223600 CPU: 7099.86, 0.0031989/step Wall: 7099.86, 0.0031989/step, 2.46706 hours remaining, 240.296875 MB of memory in use. ENERGY: 2223600 3956.8362 20574.0186 14415.1007 244.3562 -203796.8320 2746.5698 0.0000 0.0000 52008.8139 -109851.1366 298.8954 -161859.9505 -109480.9631 299.2421 274.1959 299.6700 758901.5528 21.5741 21.4188 PRESSURE: 2223800 -4.50699 79.0885 -149.331 79.0887 -187.696 65.5964 -149.33 65.5958 -160.239 GPRESSURE: 2223800 56.0989 -25.493 -164.941 -56.9822 -197.231 57.1202 -60.7631 7.74273 -157.382 PRESSAVG: 2223800 39.2686 -38.9901 -15.8612 -38.9901 -73.1824 -2.12812 -15.8612 -2.12814 13.95 GPRESSAVG: 2223800 40.8408 -39.5168 -15.0104 -39.9448 -73.8637 -0.619989 -15.5302 -3.03448 13.3209 TIMING: 2223800 CPU: 7100.5, 0.00318096/step Wall: 7100.5, 0.00318096/step, 2.45305 hours remaining, 240.296875 MB of memory in use. ENERGY: 2223800 4040.4195 20528.6544 14379.9893 249.7495 -203501.7625 2390.3449 0.0000 0.0000 52020.6062 -109891.9987 298.9631 -161912.6050 -109530.1058 299.2097 -117.4807 -99.5046 758670.8749 -6.6546 -6.5673 PRESSURE: 2224000 -15.0284 4.81412 74.7795 4.81315 -91.7788 -156.344 74.7794 -156.345 253.524 GPRESSURE: 2224000 23.5712 42.479 132.737 -100.796 -59.9797 -120.585 101.523 -106.251 258.488 PRESSAVG: 2224000 57.3141 -49.3939 27.0998 -49.394 8.89518 30.2851 27.0998 30.285 12.168 GPRESSAVG: 2224000 57.0246 -48.6497 27.2409 -50.1116 9.45908 29.4167 26.4248 33.064 12.5325 TIMING: 2224000 CPU: 7101.14, 0.00321103/step Wall: 7101.14, 0.00321103/step, 2.47606 hours remaining, 240.296875 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: 2224000 3998.2511 20586.1964 14383.0442 237.8569 -203949.7247 2666.2976 0.0000 0.0000 52229.1234 -109848.9552 300.1615 -162078.0786 -109491.1623 299.2599 48.9057 74.0266 759787.5316 26.1257 26.3387 PRESSURE: 2224200 75.2261 -34.7353 -76.3028 -34.7342 4.27459 120.376 -76.3049 120.375 188.582 GPRESSURE: 2224200 145.283 -178.582 -27.0652 69.3838 27.6249 171.167 -97.0785 67.6047 174.201 PRESSAVG: 2224200 6.78341 -34.3506 -1.23352 -34.3507 20.5765 42.7266 -1.23353 42.7266 -10.9776 GPRESSAVG: 2224200 6.56788 -36.7166 -1.75945 -32.7019 21.3599 42.4633 -1.70786 39.6736 -11.1349 TIMING: 2224200 CPU: 7101.78, 0.00321359/step Wall: 7101.78, 0.00321359/step, 2.47786 hours remaining, 240.296875 MB of memory in use. ENERGY: 2224200 3882.4058 20559.3186 14382.6477 257.3065 -203219.6155 2337.4456 0.0000 0.0000 52100.9750 -109699.5162 299.4250 -161800.4912 -109334.6601 299.1594 89.3607 115.7030 759520.5544 5.4608 5.5976 LDB: ============= START OF LOAD BALANCING ============== 7114.24 LDB: ============== END OF LOAD BALANCING =============== 7114.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7114.24 LDB: ============= START OF LOAD BALANCING ============== 7114.56 LDB: Largest compute 7025 load 0.036964 is 18.9% of average load 0.195219 LDB: Average compute 0.004383 is 2.2% of average load 0.195219 LDB: TIME 7114.56 LOAD: AVG 0.195219 MAX 0.219538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 7114.56 LOAD: AVG 0.195219 MAX 0.219538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.371 MB LDB: TIME 7114.56 LOAD: AVG 0.195219 MAX 0.217457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.371 MB LDB: ============== END OF LOAD BALANCING =============== 7114.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7114.57 PRESSURE: 2224400 -10.6605 -13.8005 -323.149 -13.7998 -365.267 184.56 -323.149 184.561 -91.4605 GPRESSURE: 2224400 -28.861 4.05362 -260.514 -172.698 -221.213 201.654 -288.542 162.888 -121.003 PRESSAVG: 2224400 43.7989 8.85923 -28.2416 8.85918 -52.8352 -34.8065 -28.2416 -34.8066 -13.0255 GPRESSAVG: 2224400 43.3622 10.6013 -27.1976 8.46279 -52.9758 -35.1714 -26.0281 -34.7055 -12.5207 TIMING: 2224400 CPU: 7102.44, 0.00327075/step Wall: 7102.44, 0.00327075/step, 2.52175 hours remaining, 239.324219 MB of memory in use. ENERGY: 2224400 3992.5505 20358.1150 14397.0725 256.2726 -203051.9641 2453.0863 0.0000 0.0000 51785.2259 -109809.6413 297.6104 -161594.8672 -109449.5097 298.8538 -155.7961 -123.6921 761681.8872 -7.3540 -7.3781 PRESSURE: 2224600 -171.554 92.307 55.4549 92.3066 -53.6976 17.2979 55.4559 17.2972 -37.3277 GPRESSURE: 2224600 -52.0782 84.8989 -26.2479 218.174 -69.9195 74.9228 75.3334 -0.0295704 -47.2625 PRESSAVG: 2224600 -31.0894 22.4931 -59.8172 22.493 30.8665 2.93558 -59.8171 2.9355 3.21112 GPRESSAVG: 2224600 -30.7202 21.4899 -59.8843 23.0476 30.0911 4.8525 -61.47 4.24161 3.71597 TIMING: 2224600 CPU: 7103.07, 0.00319416/step Wall: 7103.07, 0.00319416/step, 2.46252 hours remaining, 239.324219 MB of memory in use. ENERGY: 2224600 3926.8721 20569.5420 14392.1854 236.4977 -203465.0499 2462.2815 0.0000 0.0000 52112.4881 -109765.1832 299.4912 -161877.6712 -109399.1829 298.5260 -87.5266 -56.4201 760810.4785 0.9961 1.0289 PRESSURE: 2224800 -304.563 115.126 -5.31654 115.125 -394.956 -60.9323 -5.31696 -60.933 139.572 GPRESSURE: 2224800 -193.547 32.4635 -30.5958 52.6837 -424.236 -109.192 43.046 -107.575 133.213 PRESSAVG: 2224800 46.858 -46.012 1.10171 -46.012 -1.76359 -64.3579 1.10168 -64.3579 8.93971 GPRESSAVG: 2224800 47.6257 -46.2503 -0.253994 -45.3501 -1.15701 -66.1833 2.44184 -64.9366 7.29172 TIMING: 2224800 CPU: 7103.71, 0.00318845/step Wall: 7103.71, 0.00318845/step, 2.45794 hours remaining, 239.324219 MB of memory in use. ENERGY: 2224800 4022.3641 20288.4801 14413.5773 269.1909 -203531.9657 2629.6842 0.0000 0.0000 52159.6533 -109749.0158 299.7622 -161908.6691 -109375.8960 298.5715 -186.6490 -161.5236 761104.8082 18.0114 17.9201 PRESSURE: 2225000 -340.291 22.4733 -12.3138 22.4727 -416.462 -209.696 -12.3132 -209.696 117.291 GPRESSURE: 2225000 -399.711 -33.9813 121.426 -85.7779 -310.371 -146.196 53.9791 -105.646 152.44 PRESSAVG: 2225000 8.71572 22.1755 -7.41056 22.1754 -30.6333 -70.2472 -7.41053 -70.2472 2.68798 GPRESSAVG: 2225000 7.59269 23.7349 -5.70065 17.8466 -30.7859 -70.298 -7.40319 -71.3766 3.64502 TIMING: 2225000 CPU: 7104.35, 0.00317092/step Wall: 7104.35, 0.00317092/step, 2.44425 hours remaining, 239.324219 MB of memory in use. ENERGY: 2225000 4052.7368 20483.1293 14481.9631 227.5900 -203361.1656 2404.5166 0.0000 0.0000 52166.6131 -109544.6166 299.8022 -161711.2297 -109181.4033 299.0586 -213.1537 -185.8805 761280.7104 -6.4099 -6.5161 PRESSURE: 2225200 -54.312 -55.2272 -269.589 -55.2276 -355.129 -126.864 -269.588 -126.864 12.64 GPRESSURE: 2225200 -49.4251 -110.622 -265.414 -53.8074 -224.11 -62.2919 -87.8139 -95.7767 -20.5659 PRESSAVG: 2225200 -14.8783 14.3453 -45.9657 14.3453 -38.0512 -32.5737 -45.9657 -32.5736 20.704 GPRESSAVG: 2225200 -15.0811 12.7394 -45.9275 17.7794 -38.3101 -30.5207 -47.8981 -33.0713 21.3271 TIMING: 2225200 CPU: 7104.98, 0.00318393/step Wall: 7104.98, 0.00318393/step, 2.45411 hours remaining, 239.324219 MB of memory in use. ENERGY: 2225200 4035.6383 20401.3834 14403.1231 229.8376 -203645.2390 2675.1158 0.0000 0.0000 52167.4620 -109732.6789 299.8071 -161900.1409 -109368.7356 299.0141 -132.2670 -98.0336 760301.1373 -10.7418 -10.6880 PRESSURE: 2225400 -305.591 49.8491 -55.8837 49.8491 -122.533 -115.765 -55.8838 -115.765 -440.84 GPRESSURE: 2225400 -322.298 118.968 -97.3644 13.2436 -75.6376 -193.437 -130.777 -55.0427 -386.478 PRESSAVG: 2225400 21.243 -2.60598 -67.9198 -2.606 -52.7916 -21.5841 -67.9198 -21.5841 5.23252 GPRESSAVG: 2225400 21.1678 -0.750276 -66.9874 -3.44238 -52.875 -24.6639 -65.994 -19.1228 5.55901 TIMING: 2225400 CPU: 7105.62, 0.00316678/step Wall: 7105.62, 0.00316678/step, 2.44071 hours remaining, 239.324219 MB of memory in use. ENERGY: 2225400 4013.8908 20646.8063 14349.9198 233.6819 -203522.1408 2645.9477 0.0000 0.0000 51880.6000 -109751.2942 298.1585 -161631.8942 -109394.5308 298.9251 -289.6545 -261.4712 760900.0685 -8.7720 -8.7161 PRESSURE: 2225600 -263.825 -65.7282 65.7931 -65.7282 -163.106 -76.1857 65.7939 -76.1862 -555.32 GPRESSURE: 2225600 -271.981 -78.1971 41.5388 -72.1297 -84.1289 -107.259 108.81 9.08179 -551.132 PRESSAVG: 2225600 -0.462267 -10.0978 22.8194 -10.0977 -2.13897 2.62923 22.8194 2.62929 6.90808 GPRESSAVG: 2225600 -0.666431 -10.4615 21.1812 -10.4135 -0.967423 3.98299 21.5955 3.21751 6.05192 TIMING: 2225600 CPU: 7106.25, 0.00318431/step Wall: 7106.25, 0.00318431/step, 2.45405 hours remaining, 239.324219 MB of memory in use. ENERGY: 2225600 4040.6960 20472.5657 14417.2700 223.7901 -203149.0698 2231.8422 0.0000 0.0000 52126.8979 -109636.0079 299.5740 -161762.9057 -109274.1092 298.9335 -327.4169 -302.4139 761099.1993 1.4356 1.4727 PRESSURE: 2225800 -344.106 12.6318 -6.31202 12.6329 -88.2928 -311.895 -6.31175 -311.895 -234.036 GPRESSURE: 2225800 -234.517 76.3618 111.748 -17.7808 -106.942 -302.71 -148.755 -276.708 -253.925 PRESSAVG: 2225800 24.9592 -16.4997 8.0659 -16.4997 -6.811 -13.2906 8.06588 -13.2907 22.1372 GPRESSAVG: 2225800 25.0012 -17.4608 10.3502 -15.6433 -7.20908 -12.7438 6.74796 -13.9481 21.6307 TIMING: 2225800 CPU: 7106.9, 0.00323156/step Wall: 7106.9, 0.00323156/step, 2.49027 hours remaining, 239.324219 MB of memory in use. ENERGY: 2225800 3951.8426 20528.1852 14418.8495 247.2894 -203280.8602 2311.7887 0.0000 0.0000 52093.7678 -109729.1370 299.3836 -161822.9048 -109365.3682 298.7811 -222.1450 -198.4614 761760.0161 13.4285 13.1410 PRESSURE: 2226000 -42.6473 -336.829 198.836 -336.829 93.1969 120.855 198.836 120.854 231.191 GPRESSURE: 2226000 -21.0522 -333.987 197.655 -184.474 71.7437 32.868 121.951 123.3 306.241 PRESSAVG: 2226000 52.684 -4.16255 26.3173 -4.16262 -8.36827 -4.30948 26.3173 -4.3095 25.698 GPRESSAVG: 2226000 52.9838 -2.96794 25.7727 -2.01014 -8.7535 -4.91089 27.6818 -2.92311 26.2769 TIMING: 2226000 CPU: 7107.54, 0.00320503/step Wall: 7107.54, 0.00320503/step, 2.46965 hours remaining, 239.324219 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: 2226000 4001.1097 20535.3889 14376.9581 249.9593 -203490.7326 2605.4622 0.0000 0.0000 51923.7312 -109798.1231 298.4064 -161721.8543 -109454.9993 298.7386 93.9136 118.9774 758999.2619 23.3379 23.5024 PRESSURE: 2226200 217.695 14.9741 -154.077 14.9745 76.2466 30.7913 -154.078 30.7908 7.53937 GPRESSURE: 2226200 168.321 -84.9768 -13.9652 -31.8191 149.283 -22.1599 -128.938 149.414 35.9302 PRESSAVG: 2226200 -28.1169 -61.1857 34.3263 -61.1856 9.42078 -13.8358 34.3262 -13.8359 8.38159 GPRESSAVG: 2226200 -28.3978 -61.0468 33.4635 -64.8728 9.84281 -13.9619 35.033 -14.6304 8.50688 TIMING: 2226200 CPU: 7108.18, 0.00319888/step Wall: 7108.18, 0.00319888/step, 2.46474 hours remaining, 239.324219 MB of memory in use. ENERGY: 2226200 3963.7479 20549.0935 14425.4946 231.4805 -203895.9224 2800.4547 0.0000 0.0000 52374.7478 -109550.9033 300.9984 -161925.6512 -109184.8756 299.5454 100.4937 117.8447 759714.9641 -3.4382 -3.3494 PRESSURE: 2226400 -119.396 -34.8623 -334.794 -34.8623 143.798 -120.787 -334.794 -120.787 -102.213 GPRESSURE: 2226400 -85.5705 -36.5911 -294.924 -26.8051 194.007 -103.154 -243.074 -170.608 -111.984 PRESSAVG: 2226400 -26.3226 -70.4529 -4.31798 -70.453 -12.4012 9.47882 -4.31797 9.47875 -9.73537 GPRESSAVG: 2226400 -26.7982 -71.7747 -4.73106 -68.7828 -11.0532 11.2006 -3.69283 8.37122 -10.2655 TIMING: 2226400 CPU: 7108.82, 0.00320564/step Wall: 7108.82, 0.00320564/step, 2.46976 hours remaining, 239.324219 MB of memory in use. ENERGY: 2226400 4009.7106 20404.0066 14476.9304 246.2198 -203486.1452 2651.3800 0.0000 0.0000 51919.4145 -109778.4832 298.3816 -161697.8977 -109423.4023 298.6333 -25.9369 -1.1828 759608.5533 -16.1531 -16.0390 PRESSURE: 2226600 -44.6801 63.2061 20.4174 63.2055 -189.107 -100.954 20.4175 -100.954 456.659 GPRESSURE: 2226600 -3.3694 35.9626 -41.0803 59.8745 -143.72 -68.4435 -16.6231 -103.901 468.378 PRESSAVG: 2226600 27.1077 14.8105 -36.4041 14.8105 6.50728 22.8975 -36.404 22.8975 12.1536 GPRESSAVG: 2226600 28.0281 14.1528 -37.068 14.1196 4.691 22.2569 -35.5769 23.8607 12.7478 TIMING: 2226600 CPU: 7109.46, 0.00321244/step Wall: 7109.46, 0.00321244/step, 2.47483 hours remaining, 239.324219 MB of memory in use. ENERGY: 2226600 4018.1707 20545.2760 14405.7863 245.3245 -203266.7992 2437.0247 0.0000 0.0000 52063.2163 -109552.0007 299.2080 -161615.2170 -109192.1539 299.3627 74.2907 107.0959 757880.3973 15.2562 15.1557 PRESSURE: 2226800 179.434 -39.4195 189.97 -39.42 334.515 -142.601 189.969 -142.601 178.2 GPRESSURE: 2226800 178.104 -25.0237 143.435 70.726 402.078 -111.931 140.346 -129.86 180.58 PRESSAVG: 2226800 -58.791 -30.3071 36.8588 -30.3071 74.4457 -40.1364 36.8588 -40.1365 -8.22732 GPRESSAVG: 2226800 -60.76 -28.7345 36.3771 -29.2502 75.5245 -40.0295 36.4151 -40.0907 -7.65864 TIMING: 2226800 CPU: 7110.1, 0.00319991/step Wall: 7110.1, 0.00319991/step, 2.465 hours remaining, 239.324219 MB of memory in use. ENERGY: 2226800 3932.0246 20451.8429 14417.8651 229.5859 -203430.5762 2731.0449 0.0000 0.0000 51951.8624 -109716.3504 298.5681 -161668.2129 -109350.6856 298.9426 230.7164 253.5873 759527.9897 2.4758 2.3686 PRESSURE: 2227000 44.6107 -96.0259 -81.2652 -96.0264 -58.117 -189.572 -81.2655 -189.572 190.787 GPRESSURE: 2227000 171.664 -73.2055 -19.5273 -130.588 17.1847 -103.657 -30.4181 -257.028 86.6038 PRESSAVG: 2227000 34.699 -16.9681 -45.4259 -16.9681 -59.418 26.9855 -45.4259 26.9856 10.3825 GPRESSAVG: 2227000 36.6551 -19.1533 -44.309 -17.1189 -61.1142 25.5277 -47.3811 27.6092 9.4405 TIMING: 2227000 CPU: 7110.75, 0.00321472/step Wall: 7110.75, 0.00321472/step, 2.47623 hours remaining, 239.324219 MB of memory in use. ENERGY: 2227000 3903.5183 20457.0737 14413.0581 249.8040 -203384.0370 2702.3031 0.0000 0.0000 51867.4758 -109790.8041 298.0831 -161658.2799 -109436.8584 298.7991 59.0935 91.8174 761707.0414 -4.7788 -5.0062 PRESSURE: 2227200 295.4 90.3051 -132.487 90.3042 162.497 123.037 -132.488 123.037 361.58 GPRESSURE: 2227200 359.403 -3.50113 -111.019 135.144 248.061 136.878 -86.1681 239.923 284.669 PRESSAVG: 2227200 45.1304 -84.7592 -49.3408 -84.7592 -47.3305 -30.1855 -49.3408 -30.1855 1.32842 GPRESSAVG: 2227200 43.1472 -82.86 -49.579 -84.6398 -45.3563 -31.4027 -48.7283 -30.7802 2.0856 TIMING: 2227200 CPU: 7111.39, 0.0032153/step Wall: 7111.39, 0.0032153/step, 2.47649 hours remaining, 239.324219 MB of memory in use. ENERGY: 2227200 3933.8851 20392.2366 14386.5081 245.1571 -203237.8699 2752.6373 0.0000 0.0000 51779.8518 -109747.5938 297.5795 -161527.4456 -109383.1128 298.2872 273.1591 297.3778 762908.7516 -0.2905 -0.0412 PRESSURE: 2227400 181.851 73.0814 32.7961 73.0822 324.29 9.84434 32.7953 9.84397 -106.447 GPRESSURE: 2227400 177.35 182.575 18.4337 -1.70008 337.189 21.1121 17.4924 98.8008 -36.1351 PRESSAVG: 2227400 58.3815 17.3478 -46.4326 17.3477 -20.4574 -8.14506 -46.4325 -8.14505 22.9016 GPRESSAVG: 2227400 59.87 18.4336 -46.395 19.0247 -21.7107 -6.23463 -46.8727 -9.72578 22.2144 TIMING: 2227400 CPU: 7112.03, 0.00319576/step Wall: 7112.03, 0.00319576/step, 2.46127 hours remaining, 239.324219 MB of memory in use. ENERGY: 2227400 3998.8569 20415.7081 14421.2867 251.0573 -203500.3250 2905.2190 0.0000 0.0000 51836.1838 -109672.0133 297.9033 -161508.1971 -109310.7040 298.6720 133.2311 159.4678 761330.9979 20.2752 20.1246 PRESSURE: 2227600 -61.5071 68.1234 40.7091 68.1239 11.6413 56.7706 40.7098 56.771 149.825 GPRESSURE: 2227600 -70.3151 131.442 41.3263 82.4139 46.5639 160.078 -32.464 68.3763 233.298 PRESSAVG: 2227600 -8.49945 15.6653 6.56104 15.6653 -15.1808 66.7742 6.56106 66.774 -15.5607 GPRESSAVG: 2227600 -9.13899 13.609 6.73499 13.2197 -14.6007 68.3325 7.70165 67.0898 -15.6252 TIMING: 2227600 CPU: 7112.66, 0.00317512/step Wall: 7112.66, 0.00317512/step, 2.44519 hours remaining, 239.324219 MB of memory in use. ENERGY: 2227600 4060.7266 20423.7113 14321.1154 257.6187 -203025.7561 2294.9047 0.0000 0.0000 51800.4563 -109867.2230 297.6979 -161667.6793 -109502.2567 299.0972 33.3198 69.8491 761067.6301 -13.0803 -13.1216 PRESSURE: 2227800 -377.967 -125.057 -296.837 -125.057 -107.473 -113.133 -296.838 -113.134 390.526 GPRESSURE: 2227800 -450.121 -49.9266 -330.301 -231.185 33.4007 -15.9952 -359.571 -161.758 401.608 PRESSAVG: 2227800 7.41147 -6.93152 19.7209 -6.93154 37.1021 30.5603 19.7209 30.5603 9.30345 GPRESSAVG: 2227800 6.8536 -7.32466 19.8734 -5.49006 38.1018 28.739 20.1198 33.6592 8.80964 TIMING: 2227800 CPU: 7113.3, 0.0031795/step Wall: 7113.3, 0.0031795/step, 2.44839 hours remaining, 239.324219 MB of memory in use. ENERGY: 2227800 3945.5556 20393.2030 14378.9173 244.1530 -203338.9912 2415.4476 0.0000 0.0000 52133.9356 -109827.7791 299.6144 -161961.7147 -109466.0625 298.3073 -31.6382 -5.0374 761330.3655 17.9390 17.9217 PRESSURE: 2228000 -107.08 -90.3495 -218.122 -90.3493 33.6807 -234.667 -218.122 -234.667 204.028 GPRESSURE: 2228000 -92.8784 -61.2365 -229.564 -43.6158 141.522 -58.0774 -256.139 -227.777 163.878 PRESSAVG: 2228000 -53.4026 -40.5859 -3.03544 -40.5859 46.9943 21.1626 -3.03544 21.1626 18.7085 GPRESSAVG: 2228000 -54.1226 -39.8271 -2.6479 -41.2788 47.6715 21.8022 -2.83052 19.7217 18.9741 TIMING: 2228000 CPU: 7113.94, 0.00318155/step Wall: 7113.94, 0.00318155/step, 2.44979 hours remaining, 239.324219 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: 2228000 3832.5898 20490.5180 14486.4745 247.6655 -203043.7499 2214.0117 0.0000 0.0000 51881.8635 -109890.6268 298.1658 -161772.4904 -109532.2919 298.6034 43.5427 70.8407 760296.5268 4.1001 4.1743 PRESSURE: 2228200 -456.977 -145.97 -36.352 -145.969 -94.9996 49.379 -36.3519 49.3787 79.8493 GPRESSURE: 2228200 -490.134 -188.988 -47.2937 -158.23 -74.8958 -53.7776 11.5157 106.656 162.49 PRESSAVG: 2228200 -29.8522 -16.4122 53.2859 -16.4121 69.3462 27.9156 53.286 27.9156 23.0169 GPRESSAVG: 2228200 -29.2255 -15.2869 51.3874 -16.321 69.1363 26.5872 52.9808 27.1924 22.6963 TIMING: 2228200 CPU: 7114.57, 0.00316546/step Wall: 7114.57, 0.00316546/step, 2.43723 hours remaining, 239.324219 MB of memory in use. ENERGY: 2228200 3954.5539 20580.7963 14379.8670 272.4117 -203333.1624 2359.0586 0.0000 0.0000 51898.5840 -109887.8908 298.2619 -161786.4748 -109535.2235 298.5001 -157.3757 -134.1798 761110.6730 20.8370 20.8690 LDB: ============= START OF LOAD BALANCING ============== 7127.02 LDB: ============== END OF LOAD BALANCING =============== 7127.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7127.02 LDB: ============= START OF LOAD BALANCING ============== 7127.34 LDB: Largest compute 7076 load 0.036333 is 18.6% of average load 0.195286 LDB: Average compute 0.004413 is 2.3% of average load 0.195286 LDB: TIME 7127.35 LOAD: AVG 0.195286 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.66 MB LDB: TIME 7127.35 LOAD: AVG 0.195286 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.73 MB LDB: TIME 7127.35 LOAD: AVG 0.195286 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.73 MB LDB: ============== END OF LOAD BALANCING =============== 7127.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7127.35 PRESSURE: 2228400 540.331 -147.043 330.47 -147.042 267.932 -155.027 330.471 -155.026 8.51909 GPRESSURE: 2228400 548.028 -139.015 298.345 -260.665 268.585 -124.426 284.268 -128.471 75.5656 PRESSAVG: 2228400 -9.64004 -15.7454 27.5505 -15.7454 12.4479 44.6099 27.5504 44.61 13.4545 GPRESSAVG: 2228400 -8.94773 -17.6438 28.7192 -16.5699 10.7109 45.1908 27.4546 46.4268 14.7281 TIMING: 2228400 CPU: 7115.22, 0.00323761/step Wall: 7115.22, 0.00323761/step, 2.4926 hours remaining, 239.894531 MB of memory in use. ENERGY: 2228400 3919.3657 20534.3126 14299.1726 270.2883 -203782.4756 2878.1522 0.0000 0.0000 52048.1231 -109833.0611 299.1213 -161881.1841 -109477.7923 298.8696 272.2605 297.3931 759649.5461 5.4208 5.4971 PRESSURE: 2228600 303.161 35.4956 50.0263 35.4944 84.861 -113.63 50.0262 -113.63 213.666 GPRESSURE: 2228600 290.424 39.9923 78.1115 161.444 98.8832 5.0283 156.393 -186.466 290.508 PRESSAVG: 2228600 -67.5982 -37.8562 -14.8848 -37.8562 39.1697 65.353 -14.8849 65.353 1.28829 GPRESSAVG: 2228600 -67.1479 -36.3245 -14.3453 -36.8029 38.9381 65.959 -15.2354 64.5349 0.972882 TIMING: 2228600 CPU: 7115.86, 0.00319882/step Wall: 7115.86, 0.00319882/step, 2.46256 hours remaining, 239.894531 MB of memory in use. ENERGY: 2228600 3973.5405 20439.0755 14299.6826 232.8358 -203663.3858 2860.5335 0.0000 0.0000 51967.5573 -109890.1606 298.6583 -161857.7179 -109527.6203 299.0125 200.5627 226.6050 759483.9436 -9.0468 -9.0790 PRESSURE: 2228800 327.27 44.0927 -127.586 44.0939 419.727 12.5231 -127.586 12.5237 83.9484 GPRESSURE: 2228800 362.996 50.6183 -87.7538 111.569 386.523 -87.7753 -50.6283 126.611 149.888 PRESSAVG: 2228800 30.7778 -21.423 -13.2329 -21.4231 -26.0724 47.5852 -13.2329 47.5852 -2.02546 GPRESSAVG: 2228800 31.1141 -21.6746 -13.5733 -21.7117 -24.7658 46.2391 -10.482 47.3781 -3.17887 TIMING: 2228800 CPU: 7116.5, 0.00320477/step Wall: 7116.5, 0.00320477/step, 2.46696 hours remaining, 239.894531 MB of memory in use. ENERGY: 2228800 3956.6063 20463.2910 14337.4242 238.0569 -204014.2868 2991.7578 0.0000 0.0000 52097.8160 -109929.3346 299.4069 -162027.1506 -109578.2460 298.7411 276.9818 299.8022 759442.9346 0.8933 1.0565 PRESSURE: 2229000 -194.094 -62.1217 -87.7252 -62.123 -52.6759 -252.577 -87.7264 -252.577 -30.4957 GPRESSURE: 2229000 -201.647 -113.845 -213.183 -66.5348 46.2622 -223.646 -148.259 -256.264 -18.1823 PRESSAVG: 2229000 0.588345 -60.5574 -44.0164 -60.5574 0.252139 -9.5157 -44.0163 -9.5157 -3.33953 GPRESSAVG: 2229000 -0.11228 -58.9918 -43.8895 -62.3395 0.702666 -9.71699 -45.6992 -9.08295 -2.73536 TIMING: 2229000 CPU: 7117.14, 0.00319391/step Wall: 7117.14, 0.00319391/step, 2.45842 hours remaining, 239.894531 MB of memory in use. ENERGY: 2229000 3997.5571 20569.2930 14430.0114 237.8953 -203776.5774 2611.1474 0.0000 0.0000 52110.3034 -109820.3698 299.4786 -161930.6732 -109456.5486 298.6181 -92.4220 -57.8556 760022.7458 -0.8330 -0.7150 PRESSURE: 2229200 -13.6691 309.7 96.8257 309.701 59.2363 143.796 96.8257 143.796 108.962 GPRESSURE: 2229200 -61.6718 235.782 109.655 297.373 152.345 113.386 139.419 215.055 154.485 PRESSAVG: 2229200 32.4799 49.0765 6.93772 49.0765 2.51034 9.06457 6.93775 9.0645 -2.47717 GPRESSAVG: 2229200 31.6454 47.7335 6.51139 49.8751 3.27297 9.48729 7.4475 7.62043 -2.47882 TIMING: 2229200 CPU: 7117.78, 0.00319844/step Wall: 7117.78, 0.00319844/step, 2.46174 hours remaining, 239.894531 MB of memory in use. ENERGY: 2229200 3993.3570 20418.0165 14335.7874 235.0310 -203761.7030 2930.5216 0.0000 0.0000 52131.4183 -109717.5712 299.6000 -161848.9895 -109353.8010 298.9629 51.5099 81.7197 761297.5531 10.8377 10.8132 PRESSURE: 2229400 -260.637 -38.5785 44.3669 -38.5787 232.013 19.3325 44.3667 19.3313 92.6549 GPRESSURE: 2229400 -281.645 -25.2447 -78.5448 -110.086 254.509 -22.793 123.512 143.332 181.812 PRESSAVG: 2229400 26.5835 -60.9202 -9.93222 -60.9202 12.0395 15.0099 -9.93228 15.0099 9.80248 GPRESSAVG: 2229400 27.0103 -62.143 -10.0072 -59.2843 10.9939 15.5066 -10.3071 13.3286 10.0056 TIMING: 2229400 CPU: 7118.41, 0.00315771/step Wall: 7118.41, 0.00315771/step, 2.43021 hours remaining, 239.894531 MB of memory in use. ENERGY: 2229400 3999.0202 20473.8597 14376.6082 252.0503 -203718.6509 2954.6222 0.0000 0.0000 51957.7731 -109704.7171 298.6020 -161662.4902 -109346.3589 299.0704 21.3437 51.5588 762556.2173 16.1418 16.0033 PRESSURE: 2229600 62.512 78.8951 25.6883 78.895 299.001 100.678 25.6887 100.679 23.5703 GPRESSURE: 2229600 111.722 57.562 125.158 -13.102 269.089 155.66 -39.0778 19.7588 89.3505 PRESSAVG: 2229600 36.6732 18.3986 19.2165 18.3986 -29.0056 -21.1766 19.2165 -21.1766 16.899 GPRESSAVG: 2229600 37.2705 19.9005 19.6141 16.8456 -29.9559 -21.1376 19.4519 -19.108 16.5743 TIMING: 2229600 CPU: 7119.05, 0.00318572/step Wall: 7119.05, 0.00318572/step, 2.45159 hours remaining, 239.894531 MB of memory in use. ENERGY: 2229600 4045.1565 20409.7825 14376.1095 241.0911 -203759.2115 2896.5935 0.0000 0.0000 52078.1537 -109712.3248 299.2939 -161790.4785 -109344.8031 299.0180 128.3612 156.7204 761254.1456 8.1889 7.9630 PRESSURE: 2229800 35.6735 204.468 -81.9445 204.468 248.775 25.785 -81.9443 25.7858 312.82 GPRESSURE: 2229800 142.258 134.423 -56.8702 223.2 248.686 34.4572 -82.9429 -18.359 295.702 PRESSAVG: 2229800 -26.5113 23.9477 28.2913 23.9478 -8.05199 16.6038 28.2913 16.6038 5.28706 GPRESSAVG: 2229800 -26.297 22.9496 28.0861 25.0325 -7.48431 16.0468 28.0247 17.0179 4.57697 TIMING: 2229800 CPU: 7119.68, 0.00317151/step Wall: 7119.68, 0.00317151/step, 2.44047 hours remaining, 239.894531 MB of memory in use. ENERGY: 2229800 3991.1912 20360.5676 14317.5186 236.5990 -203517.3032 2809.9265 0.0000 0.0000 51925.2286 -109876.2716 298.4150 -161801.5002 -109509.7814 299.0087 199.0894 228.8821 762176.5141 -9.7587 -9.7348 PRESSURE: 2230000 -25.1033 -132.395 49.9946 -132.394 -59.1182 -15.0922 49.9949 -15.0928 216.99 GPRESSURE: 2230000 6.83939 -37.201 82.7815 -158.116 -23.2076 56.748 0.0441195 -0.382292 221.987 PRESSAVG: 2230000 -16.0171 21.7018 -45.4229 21.7018 -15.9438 21.6187 -45.4228 21.6187 -8.41257 GPRESSAVG: 2230000 -16.2983 20.7145 -46.2532 21.6632 -17.1961 20.802 -47.9749 21.343 -6.71206 TIMING: 2230000 CPU: 7120.31, 0.00315245/step Wall: 7120.31, 0.00315245/step, 2.42563 hours remaining, 239.894531 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: 2230000 3897.5412 20432.0159 14424.2827 247.6961 -203935.7020 2710.1815 0.0000 0.0000 52354.7516 -109869.2329 300.8835 -162223.9846 -109499.6105 298.9023 44.2560 68.5395 759311.1202 -13.4578 -13.4021 PRESSURE: 2230200 -132.045 -96.9584 63.2262 -96.9586 127.808 -110.741 63.2257 -110.742 382.575 GPRESSURE: 2230200 -27.6693 -98.9546 91.3476 113.164 75.4019 -67.7101 121.102 -147.099 405.898 PRESSAVG: 2230200 -17.9881 5.25015 18.2931 5.25019 1.75023 13.8647 18.2932 13.8647 8.64011 GPRESSAVG: 2230200 -17.4642 5.60343 19.6796 7.06745 3.15143 11.91 21.1011 14.9486 7.25454 TIMING: 2230200 CPU: 7120.94, 0.00316976/step Wall: 7120.94, 0.00316976/step, 2.43878 hours remaining, 239.894531 MB of memory in use. ENERGY: 2230200 3946.0175 20582.5277 14376.0717 237.1793 -203745.8157 2705.7632 0.0000 0.0000 52109.5764 -109788.6799 299.4745 -161898.2563 -109430.3859 299.1458 126.1126 151.2103 760056.1411 -2.5326 -2.3528 PRESSURE: 2230400 -7.82869 80.1443 96.1362 80.1454 -314.927 -103.802 96.1361 -103.802 6.30822 GPRESSURE: 2230400 59.0653 81.6923 46.5924 56.2192 -359.127 -1.74143 237.819 -217.468 82.5516 PRESSAVG: 2230400 27.0621 -35.5477 9.85515 -35.5477 42.5296 -34.1998 9.85513 -34.1998 18.279 GPRESSAVG: 2230400 26.8522 -33.6023 8.62308 -37.4567 42.0573 -31.5783 10.503 -33.8135 19.1347 TIMING: 2230400 CPU: 7121.58, 0.0032009/step Wall: 7121.58, 0.0032009/step, 2.46256 hours remaining, 239.894531 MB of memory in use. ENERGY: 2230400 3968.1906 20379.1457 14372.9017 267.4172 -203291.6608 2560.4192 0.0000 0.0000 52019.1295 -109724.4570 298.9547 -161743.5865 -109360.4856 299.3554 -105.4824 -72.5035 760780.2442 29.2902 29.3481 PRESSURE: 2230600 147.469 -128.673 -3.74919 -128.673 -25.3691 221.415 -3.74944 221.414 133.707 GPRESSURE: 2230600 148.6 -122.193 16.4553 -127.523 -18.1715 132.729 -82.5089 220.127 224.452 PRESSAVG: 2230600 32.1324 -41.3655 10.114 -41.3655 -25.4332 62.5247 10.1139 62.5247 21.0476 GPRESSAVG: 2230600 32.1884 -43.2052 12.1138 -40.4206 -25.3765 62.5838 7.67246 60.0916 21.0418 TIMING: 2230600 CPU: 7122.22, 0.00317464/step Wall: 7122.22, 0.00317464/step, 2.44218 hours remaining, 239.894531 MB of memory in use. ENERGY: 2230600 3878.4326 20482.0302 14417.6016 245.1151 -203367.0665 2648.2528 0.0000 0.0000 51893.6390 -109801.9952 298.2335 -161695.6342 -109435.9050 299.2157 85.2692 118.2937 759786.6422 9.2489 9.2846 PRESSURE: 2230800 95.4447 184.861 -229.019 184.861 -242.891 278.594 -229.018 278.594 -146.908 GPRESSURE: 2230800 136.409 168.463 -335.613 124.548 -220.783 236.127 -95.9454 236.494 -126.922 PRESSAVG: 2230800 68.8809 -13.3302 11.7407 -13.3302 -79.284 59.5392 11.7407 59.5392 0.944663 GPRESSAVG: 2230800 69.0218 -12.6947 12.0353 -12.7037 -80.3888 59.6549 13.2389 60.0457 1.6254 TIMING: 2230800 CPU: 7122.86, 0.00319563/step Wall: 7122.86, 0.00319563/step, 2.45815 hours remaining, 239.894531 MB of memory in use. ENERGY: 2230800 4024.7241 20446.0967 14428.9511 244.8229 -203682.1384 2610.1970 0.0000 0.0000 52266.6282 -109660.7184 300.3770 -161927.3466 -109294.1914 298.8278 -98.1181 -70.4322 758876.2072 -3.1528 -3.2472 PRESSURE: 2231000 -267.35 -288.038 -210.039 -288.039 -489.824 126.667 -210.038 126.668 16.1348 GPRESSURE: 2231000 -227.112 -295.608 -199.544 -186.43 -492.65 81.1663 -53.2303 113.058 54.4464 PRESSAVG: 2231000 2.22163 -3.15471 -0.399887 -3.15468 20.6304 41.2125 -0.399829 41.2124 8.11564 GPRESSAVG: 2231000 1.41041 -2.20206 -0.775338 -4.94715 21.2284 40.1212 -0.155211 42.8285 7.75951 TIMING: 2231000 CPU: 7123.5, 0.00319222/step Wall: 7123.5, 0.00319222/step, 2.45535 hours remaining, 239.894531 MB of memory in use. ENERGY: 2231000 3998.4547 20689.1353 14415.2129 240.4281 -203406.8020 2388.3995 0.0000 0.0000 51980.5849 -109694.5866 298.7331 -161675.1715 -109337.6761 299.3267 -247.0128 -221.7718 761207.5372 10.3226 10.1328 PRESSURE: 2231200 -185.503 80.3067 -43.6197 80.3067 75.0756 286.157 -43.6192 286.157 -185.502 GPRESSURE: 2231200 -98.3796 -48.0096 11.3245 15.4952 108.867 296.151 -68.2487 272.979 -218.77 PRESSAVG: 2231200 55.5994 6.0101 -21.2962 6.01015 7.67891 31.6634 -21.2962 31.6633 0.238355 GPRESSAVG: 2231200 55.4914 4.27434 -21.2412 6.25456 7.9653 32.2855 -22.3132 31.0492 -0.0946888 TIMING: 2231200 CPU: 7124.13, 0.00317339/step Wall: 7124.13, 0.00317339/step, 2.44069 hours remaining, 239.894531 MB of memory in use. ENERGY: 2231200 3961.4221 20568.2334 14423.0731 229.3960 -203854.4366 2699.2917 0.0000 0.0000 52304.1067 -109668.9135 300.5924 -161973.0202 -109295.2937 299.6780 -98.6431 -69.4276 760612.2550 21.1722 21.1207 PRESSURE: 2231400 -95.0192 -105.244 9.69257 -105.243 -32.9157 59.3965 9.69315 59.3958 -452.87 GPRESSURE: 2231400 -19.8989 -98.8186 -54.5983 -32.0871 -59.2365 6.15515 11.2082 -34.7007 -430.897 PRESSAVG: 2231400 -1.11636 -11.5004 41.7339 -11.5004 8.3368 27.0487 41.7339 27.0487 -3.01457 GPRESSAVG: 2231400 -0.83892 -10.8046 40.5313 -10.8758 7.59828 27.5853 42.9116 28.1935 -2.79826 TIMING: 2231400 CPU: 7124.77, 0.00318341/step Wall: 7124.77, 0.00318341/step, 2.44822 hours remaining, 239.894531 MB of memory in use. ENERGY: 2231400 3897.0031 20635.8904 14397.5064 238.2864 -203455.0447 2456.1666 0.0000 0.0000 52072.3697 -109757.8221 299.2606 -161830.1918 -109398.2282 299.4606 -193.6017 -170.0108 761593.3090 1.4020 1.3204 PRESSURE: 2231600 66.3127 -266.126 -204.223 -266.126 159.024 -244.555 -204.223 -244.554 -428.749 GPRESSURE: 2231600 42.6533 -316.78 -114.556 -233.746 198.306 -246.83 -87.4668 -137.879 -357.993 PRESSAVG: 2231600 37.3718 -39.2754 -12.3919 -39.2755 -18.7746 31.9132 -12.392 31.9132 30.9932 GPRESSAVG: 2231600 37.1148 -37.2506 -10.6545 -38.8511 -18.0107 29.391 -12.8693 30.8155 30.5924 TIMING: 2231600 CPU: 7125.41, 0.00320257/step Wall: 7125.41, 0.00320257/step, 2.46278 hours remaining, 239.894531 MB of memory in use. ENERGY: 2231600 4073.0768 20626.3733 14461.6576 245.9449 -203729.8767 2659.4667 0.0000 0.0000 52151.7612 -109511.5962 299.7169 -161663.3574 -109150.3154 299.5241 -67.8044 -39.0112 761469.2265 16.5301 16.5655 PRESSURE: 2231800 -318.136 -177.555 33.9736 -177.555 207.538 155.718 33.9736 155.718 -12.9109 GPRESSURE: 2231800 -247.183 -74.828 -20.364 -173.829 175.039 132.257 25.8839 91.3269 34.8987 PRESSAVG: 2231800 -81.196 -3.38617 -3.82292 -3.38618 42.4063 5.64936 -3.82294 5.64931 -21.4806 GPRESSAVG: 2231800 -81.6408 -4.17872 -5.89633 -3.50544 41.5412 6.03443 -2.60249 6.37591 -20.3501 TIMING: 2231800 CPU: 7126.05, 0.00320056/step Wall: 7126.05, 0.00320056/step, 2.46105 hours remaining, 239.894531 MB of memory in use. ENERGY: 2231800 3986.8651 20556.7177 14473.2912 235.3568 -203173.5481 2536.4817 0.0000 0.0000 52035.3950 -109349.4406 299.0481 -161384.8356 -108998.9551 299.8342 -41.1697 -12.4149 762517.8575 -20.0901 -20.1499 PRESSURE: 2232000 -102.199 -55.808 156.57 -55.8075 -474.103 99.1921 156.57 99.1926 -269.009 GPRESSURE: 2232000 -78.8968 -72.4774 175.623 -144.855 -457.35 37.386 206.822 158.547 -212.021 PRESSAVG: 2232000 61.077 -5.29181 8.09745 -5.2918 -88.2211 -0.439445 8.09743 -0.439545 12.0969 GPRESSAVG: 2232000 61.8487 -4.58678 8.42851 -5.4396 -87.2115 -0.253137 7.36693 -2.24241 10.7967 TIMING: 2232000 CPU: 7126.68, 0.00316546/step Wall: 7126.68, 0.00316546/step, 2.43389 hours remaining, 239.894531 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: 2232000 3886.9569 20679.4960 14409.1472 261.0500 -202810.5970 2192.7205 0.0000 0.0000 52135.7090 -109245.5174 299.6246 -161381.2264 -108872.7119 299.5180 -281.7703 -249.4227 762868.4110 -5.0158 -4.8553 PRESSURE: 2232200 122.31 -3.84899 24.286 -3.84973 246.041 -139.645 24.2862 -139.646 -82.2837 GPRESSURE: 2232200 127.245 -61.95 72.6195 8.60378 282.181 -173.427 4.33712 -211.036 -50.5251 PRESSAVG: 2232200 46.7643 -13.8111 -4.36257 -13.8111 7.81276 -59.6954 -4.36248 -59.6953 -1.02736 GPRESSAVG: 2232200 45.9315 -15.5218 -4.74782 -15.5455 8.20927 -58.3053 -5.64191 -57.6591 -1.14298 TIMING: 2232200 CPU: 7127.31, 0.00314783/step Wall: 7127.31, 0.00314783/step, 2.42016 hours remaining, 239.894531 MB of memory in use. ENERGY: 2232200 4000.9403 20557.8620 14420.2498 248.0540 -203545.0438 2871.5302 0.0000 0.0000 52257.7603 -109188.6471 300.3261 -161446.4074 -108826.6643 299.5893 95.3556 119.6334 761489.9966 17.8499 17.6659 LDB: ============= START OF LOAD BALANCING ============== 7139.76 LDB: ============== END OF LOAD BALANCING =============== 7139.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7139.77 LDB: ============= START OF LOAD BALANCING ============== 7140.08 LDB: Largest compute 7060 load 0.036285 is 18.6% of average load 0.195280 LDB: Average compute 0.004366 is 2.2% of average load 0.195280 LDB: TIME 7140.09 LOAD: AVG 0.19528 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.949 MB LDB: TIME 7140.09 LOAD: AVG 0.19528 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.152 MB LDB: TIME 7140.09 LOAD: AVG 0.19528 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.152 MB LDB: ============== END OF LOAD BALANCING =============== 7140.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7140.09 PRESSURE: 2232400 302.168 -161.63 4.9943 -161.631 232.103 54.5458 4.99503 54.547 -179.204 GPRESSURE: 2232400 307.523 -66.677 -2.88503 -126.384 352.274 32.563 117.379 142.446 -198.122 PRESSAVG: 2232400 8.08855 22.5164 25.8985 22.5164 12.8925 -28.3392 25.8985 -28.3392 12.6501 GPRESSAVG: 2232400 7.52925 24.67 25.8864 23.4957 13.2234 -31.3381 27.6463 -29.7473 13.0296 TIMING: 2232400 CPU: 7127.96, 0.00323113/step Wall: 7127.96, 0.00323113/step, 2.48402 hours remaining, 240.664062 MB of memory in use. ENERGY: 2232400 4027.4558 20561.7567 14395.3776 264.3800 -203643.8860 2842.5866 0.0000 0.0000 52465.0352 -109087.2941 301.5173 -161552.3294 -108733.2624 300.2896 118.3561 153.8918 761207.3790 11.2104 11.2608 PRESSURE: 2232600 -178.755 25.749 79.9366 25.749 20.8303 -60.944 79.9361 -60.9445 -46.1191 GPRESSURE: 2232600 -183.038 66.4156 33.5156 -100.455 58.1698 -25.7118 68.535 -100.256 -15.8276 PRESSAVG: 2232600 65.2502 -24.7217 4.78787 -24.7217 -47.3335 -60.7224 4.78791 -60.7223 1.69925 GPRESSAVG: 2232600 65.6091 -25.3325 3.79087 -24.8011 -48.1478 -58.2684 3.63904 -61.2923 1.72329 TIMING: 2232600 CPU: 7128.59, 0.00318611/step Wall: 7128.59, 0.00318611/step, 2.44924 hours remaining, 240.867188 MB of memory in use. ENERGY: 2232600 3959.1643 20447.9759 14492.7335 232.7126 -203425.4616 2603.5039 0.0000 0.0000 52360.0012 -109329.3701 300.9136 -161689.3713 -108955.6248 300.1865 -68.0146 -46.8987 763570.8413 6.5387 6.3949 PRESSURE: 2232800 43.1814 5.37413 -117.579 5.37434 -74.2263 80.406 -117.579 80.4064 199.966 GPRESSURE: 2232800 148.553 -48.7296 -106.584 39.3329 -36.9672 13.5238 49.0112 255.624 145.518 PRESSAVG: 2232800 24.3483 -9.19057 -81.0439 -9.19052 -47.8555 8.85253 -81.0439 8.85253 -10.2497 GPRESSAVG: 2232800 24.2795 -11.1598 -79.792 -8.72209 -48.8802 7.64326 -81.1076 8.56944 -9.50965 TIMING: 2232800 CPU: 7129.23, 0.00317247/step Wall: 7129.23, 0.00317247/step, 2.43857 hours remaining, 240.867188 MB of memory in use. ENERGY: 2232800 3993.5420 20549.4420 14445.9786 251.4642 -203307.9672 2754.6037 0.0000 0.0000 52241.8469 -109071.0897 300.2346 -161312.9366 -108713.1723 300.2292 56.3070 85.7014 763488.1941 -11.2523 -11.3701 PRESSURE: 2233000 -62.0501 -110.699 76.9465 -110.699 4.81564 100.28 76.9458 100.28 -17.2447 GPRESSURE: 2233000 150.978 -33.9871 137.664 -17.8302 -103.649 130.65 30.8859 58.9902 -40.7865 PRESSAVG: 2233000 29.9776 -36.7314 54.3105 -36.7314 -45.7012 -7.44911 54.3105 -7.44898 -17.989 GPRESSAVG: 2233000 29.7061 -34.3651 55.9088 -37.2095 -45.5938 -7.29457 53.5375 -5.02733 -18.5286 TIMING: 2233000 CPU: 7129.86, 0.00317016/step Wall: 7129.86, 0.00317016/step, 2.43662 hours remaining, 240.867188 MB of memory in use. ENERGY: 2233000 4023.6011 20463.6836 14408.5481 262.5625 -203209.7897 2630.3441 0.0000 0.0000 52158.0710 -109262.9794 299.7532 -161421.0504 -108889.1833 299.5670 -24.8264 2.1807 764150.0455 -11.2375 -11.4721 PRESSURE: 2233200 -464.844 80.9607 243.112 80.9595 -89.3135 124.539 243.113 124.539 287.606 GPRESSURE: 2233200 -393.623 34.2583 129.086 65.7375 12.4977 66.6482 212.125 18.1779 212.309 PRESSAVG: 2233200 1.45465 41.3989 23.3621 41.3989 -27.7576 43.6012 23.3621 43.6013 -0.566847 GPRESSAVG: 2233200 2.57521 39.8055 21.6373 39.977 -28.4392 43.0821 23.7237 42.6102 -0.750732 TIMING: 2233200 CPU: 7130.49, 0.00315221/step Wall: 7130.49, 0.00315221/step, 2.42265 hours remaining, 240.867188 MB of memory in use. ENERGY: 2233200 4077.2018 20378.6270 14388.0509 248.5173 -202795.5925 2378.1944 0.0000 0.0000 51762.1057 -109562.8955 297.4775 -161325.0011 -109205.1043 298.9227 -88.8504 -56.2719 763525.4834 -8.9566 -8.8716 PRESSURE: 2233400 -48.7941 49.5834 -245.035 49.5836 -8.08384 -182.633 -245.036 -182.634 -306.273 GPRESSURE: 2233400 -14.6114 -0.554623 -240.36 -42.0468 -15.1202 -157.306 -156.95 -167.015 -259.244 PRESSAVG: 2233400 6.17791 -11.9609 -22.5784 -11.9609 -5.26796 -25.4211 -22.5784 -25.4211 5.77368 GPRESSAVG: 2233400 5.18376 -12.4761 -20.6037 -10.3931 -4.61238 -24.1008 -22.9919 -23.8677 6.33314 TIMING: 2233400 CPU: 7131.12, 0.00315151/step Wall: 7131.12, 0.00315151/step, 2.42193 hours remaining, 240.867188 MB of memory in use. ENERGY: 2233400 3991.9662 20471.1881 14456.9653 251.8077 -203157.7299 2467.9568 0.0000 0.0000 51776.1355 -109741.7102 297.5582 -161517.8457 -109383.6863 298.5830 -121.0503 -96.3254 760517.5557 2.2279 2.3015 PRESSURE: 2233600 -116.508 -217.071 -126.568 -217.071 100.241 135.195 -126.568 135.196 -163.408 GPRESSURE: 2233600 -30.2207 -198.611 -84.2619 -157.742 68.6535 205.222 -110.416 118.797 -129.206 PRESSAVG: 2233600 -15.7383 -43.3726 29.1522 -43.3726 29.4454 -1.92519 29.1523 -1.92529 2.3017 GPRESSAVG: 2233600 -16.178 -43.1752 27.2348 -45.5322 29.2063 -4.12941 30.0598 -4.30028 3.00718 TIMING: 2233600 CPU: 7131.76, 0.00316219/step Wall: 7131.76, 0.00316219/step, 2.42997 hours remaining, 240.867188 MB of memory in use. ENERGY: 2233600 4007.0764 20361.7160 14418.1667 239.9553 -203574.6743 2663.5754 0.0000 0.0000 52154.1370 -109730.0474 299.7305 -161884.1844 -109360.8639 298.9430 -59.8918 -30.2577 761714.8559 5.3363 5.3451 PRESSURE: 2233800 -154.961 272.522 -15.0954 272.523 -110.241 -321.346 -15.094 -321.346 90.4099 GPRESSURE: 2233800 -105.435 243.145 70.7737 221.789 -56.8056 -305.249 20.3503 -207.411 78.7987 PRESSAVG: 2233800 8.19409 5.35729 56.175 5.35736 -29.1219 4.79728 56.175 4.79721 0.582015 GPRESSAVG: 2233800 6.9894 6.95311 58.15 6.99194 -27.4874 6.692 54.2388 4.07642 0.700558 TIMING: 2233800 CPU: 7132.39, 0.00317412/step Wall: 7132.39, 0.00317412/step, 2.43896 hours remaining, 240.867188 MB of memory in use. ENERGY: 2233800 4003.7441 20549.3226 14317.3333 214.1274 -203513.7234 2631.8237 0.0000 0.0000 52075.6068 -109721.7654 299.2792 -161797.3723 -109356.4345 298.9451 -58.2642 -27.8141 761516.8745 -6.7819 -6.5991 PRESSURE: 2234000 113 97.2343 114.571 97.2341 1.2024 183.437 114.571 183.436 33.582 GPRESSURE: 2234000 231.431 -10.0377 66.2096 197.975 -35.8395 134.355 150.69 300.07 29.0376 PRESSAVG: 2234000 6.11493 10.0878 37.9912 10.0878 35.3562 -3.21209 37.9912 -3.21206 1.90251 GPRESSAVG: 2234000 7.08991 8.974 36.4523 11.1003 34.1801 -3.30612 39.9351 -2.24318 2.55238 TIMING: 2234000 CPU: 7133.03, 0.00318622/step Wall: 7133.03, 0.00318622/step, 2.44808 hours remaining, 240.867188 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: 2234000 3869.8250 20690.0801 14400.8479 250.0964 -203376.5839 2566.3280 0.0000 0.0000 51907.0130 -109692.3935 298.3103 -161599.4065 -109330.7165 298.5264 49.2616 74.8763 761913.9223 14.4579 14.6075 PRESSURE: 2234200 41.4648 -138.711 71.3945 -138.712 80.0743 130.176 71.3947 130.175 66.089 GPRESSURE: 2234200 115.914 -29.805 71.816 -282.06 142.495 139.575 202.142 71.1102 -14.5795 PRESSAVG: 2234200 -20.2124 -25.8421 14.3147 -25.8421 62.8046 -41.9868 14.3147 -41.9868 12.3632 GPRESSAVG: 2234200 -20.5221 -25.2222 13.5365 -26.9196 63.2161 -41.6693 13.0465 -42.8796 12.0135 TIMING: 2234200 CPU: 7133.68, 0.00323798/step Wall: 7133.68, 0.00323798/step, 2.48767 hours remaining, 240.867188 MB of memory in use. ENERGY: 2234200 3947.1860 20729.6604 14425.3330 242.2333 -203571.2973 2570.1884 0.0000 0.0000 52037.4942 -109619.2019 299.0602 -161656.6961 -109251.2003 299.1220 62.5427 81.2763 760334.8031 18.3185 18.2359 PRESSURE: 2234400 490.953 208.372 37.2479 208.373 250.317 92.551 37.2479 92.5519 264.841 GPRESSURE: 2234400 416.392 82.5113 38.2851 332.749 345.064 45.8337 24.7793 137.687 315.78 PRESSAVG: 2234400 1.02377 -8.91934 33.576 -8.91931 4.79166 25.2706 33.5759 25.2707 47.0782 GPRESSAVG: 2234400 2.03335 -10.5397 32.8758 -6.6095 4.1935 24.687 33.8664 26.0922 45.7606 TIMING: 2234400 CPU: 7134.32, 0.00319757/step Wall: 7134.32, 0.00319757/step, 2.45644 hours remaining, 240.867188 MB of memory in use. ENERGY: 2234400 4014.6236 20503.8745 14448.6372 227.8367 -203351.2313 2350.0757 0.0000 0.0000 52115.0422 -109691.1414 299.5059 -161806.1836 -109317.7654 298.7693 335.3703 359.0787 759173.5560 17.6312 17.3291 PRESSURE: 2234600 -66.904 -7.32412 69.1474 -7.32386 -131.527 -88.4364 69.1476 -88.4378 -174.293 GPRESSURE: 2234600 -76.1248 -114.384 41.2594 16.0291 -49.5489 -82.3231 70.5968 -110.938 -157.346 PRESSAVG: 2234600 -47.1766 14.2456 38.6041 14.2456 71.8682 -0.914287 38.6041 -0.914375 -1.34187 GPRESSAVG: 2234600 -48.2185 14.2364 39.5596 12.6247 72.8117 -1.46953 40.1478 -0.888241 -0.855548 TIMING: 2234600 CPU: 7134.96, 0.00320673/step Wall: 7134.96, 0.00320673/step, 2.4633 hours remaining, 240.867188 MB of memory in use. ENERGY: 2234600 3968.8349 20469.2142 14403.4997 267.5218 -203351.2264 2487.1862 0.0000 0.0000 52011.8091 -109743.1605 298.9126 -161754.9697 -109389.7832 298.6410 -124.2415 -94.3398 760219.5094 7.7832 7.9126 PRESSURE: 2234800 -106.987 -63.3064 13.3878 -63.3057 -394.981 -145.398 13.3881 -145.397 8.25703 GPRESSURE: 2234800 -88.4499 -93.1152 81.5664 -92.2369 -281.656 -135.235 -107.829 -34.172 -36.8691 PRESSAVG: 2234800 5.54001 -10.7243 23.3966 -10.7242 3.2584 -33.9837 23.3965 -33.9837 15.2519 GPRESSAVG: 2234800 5.18845 -9.87462 24.8194 -11.2904 3.975 -33.226 19.8596 -34.0246 14.8586 TIMING: 2234800 CPU: 7135.59, 0.00317925/step Wall: 7135.59, 0.00317925/step, 2.44202 hours remaining, 240.867188 MB of memory in use. ENERGY: 2234800 3962.0060 20469.2575 14424.7451 229.8513 -203745.9686 2813.0881 0.0000 0.0000 51910.1315 -109936.8891 298.3282 -161847.0206 -109578.8581 298.3913 -164.5704 -135.6583 762699.5149 8.0168 8.0074 PRESSURE: 2235000 -683.901 93.3718 95.909 93.3721 -126.48 -71.7396 95.9089 -71.7392 -207.081 GPRESSURE: 2235000 -567.96 45.0147 134.297 150.221 -105.109 -28.0196 -24.9187 -229.743 -265.19 PRESSAVG: 2235000 10.0752 2.85671 -0.582559 2.85669 17.03 -4.30525 -0.582497 -4.30525 13.2984 GPRESSAVG: 2235000 10.5536 1.45886 -1.54413 3.85739 16.1354 -6.069 2.13291 -4.67675 13.3308 TIMING: 2235000 CPU: 7136.23, 0.00316266/step Wall: 7136.23, 0.00316266/step, 2.4291 hours remaining, 240.867188 MB of memory in use. ENERGY: 2235000 3982.5786 20532.6473 14394.9590 234.9951 -203476.6429 2504.6322 0.0000 0.0000 51938.2484 -109888.5824 298.4898 -161826.8308 -109527.4309 298.2797 -339.1541 -312.7527 762873.9051 13.4678 13.3399 PRESSURE: 2235200 123.736 -2.07146 -231.739 -2.07245 326.425 -176.224 -231.739 -176.225 254.98 GPRESSURE: 2235200 159.787 149.557 -163.312 27.7765 395.928 -172.212 -236.897 -184.584 249.647 PRESSAVG: 2235200 0.969233 3.78459 42.9288 3.78456 -4.12306 -41.2731 42.9288 -41.2731 8.6388 GPRESSAVG: 2235200 0.589398 4.55583 42.8965 3.50704 -2.65894 -38.3771 42.9902 -42.0918 7.54608 TIMING: 2235200 CPU: 7136.86, 0.00316359/step Wall: 7136.86, 0.00316359/step, 2.42964 hours remaining, 240.867188 MB of memory in use. ENERGY: 2235200 3917.5569 20387.0038 14473.5555 232.6988 -203866.0307 2778.5921 0.0000 0.0000 52025.9713 -110050.6523 298.9940 -162076.6236 -109687.3486 298.0984 235.0468 268.4541 760066.5105 1.8283 1.8255 PRESSURE: 2235400 -285.803 159.773 -70.6732 159.773 -114.841 170.496 -70.6737 170.496 -206.496 GPRESSURE: 2235400 -225.184 172.375 -42.955 66.6087 -73.6612 90.5464 -107.565 146.307 -222.48 PRESSAVG: 2235400 -39.0253 9.80436 -27.333 9.80432 92.9856 -24.6558 -27.333 -24.6558 -6.22397 GPRESSAVG: 2235400 -36.7944 9.92216 -27.0118 11.075 90.9979 -27.4696 -26.3144 -23.2664 -6.55698 TIMING: 2235400 CPU: 7137.49, 0.00317921/step Wall: 7137.49, 0.00317921/step, 2.44145 hours remaining, 240.867188 MB of memory in use. ENERGY: 2235400 3952.3282 20395.4705 14368.6671 245.2256 -203051.2543 2250.2108 0.0000 0.0000 51942.4074 -109896.9447 298.5137 -161839.3521 -109534.1826 298.1687 -202.3802 -173.7750 760408.4964 15.9121 15.8822 PRESSURE: 2235600 -289.173 44.4201 148.698 44.4203 -92.2217 43.8289 148.698 43.8288 -625.701 GPRESSURE: 2235600 -229.883 88.3124 169.221 -64.8157 -133.432 67.4382 117.399 80.2999 -571.703 PRESSAVG: 2235600 -43.9524 1.80602 -19.8103 1.80599 46.6873 -61.6537 -19.8103 -61.6537 -23.5848 GPRESSAVG: 2235600 -45.6816 1.1148 -20.0145 1.56583 47.0084 -59.7858 -21.324 -64.777 -22.5394 TIMING: 2235600 CPU: 7138.13, 0.0031967/step Wall: 7138.13, 0.0031967/step, 2.45471 hours remaining, 240.867188 MB of memory in use. ENERGY: 2235600 4028.6106 20569.6099 14473.3559 245.8787 -203283.0138 2452.7950 0.0000 0.0000 51550.4729 -109962.2909 296.2613 -161512.7638 -109612.1205 298.1542 -335.6985 -311.6728 761819.1684 -6.9499 -7.0708 PRESSURE: 2235800 120.128 -4.92491 61.5549 -4.92511 -17.8264 23.0241 61.5554 23.0252 -25.6568 GPRESSURE: 2235800 128.157 3.95178 55.9502 76.7094 11.242 105.971 123.122 125.374 7.67236 PRESSAVG: 2235800 -4.38904 7.77704 -16.0685 7.77705 0.439893 -24.644 -16.0685 -24.6439 -1.57961 GPRESSAVG: 2235800 -4.73899 6.46381 -15.8554 7.97168 -0.0759395 -23.8761 -14.3069 -24.0365 -0.713711 TIMING: 2235800 CPU: 7138.77, 0.00317002/step Wall: 7138.77, 0.00317002/step, 2.43404 hours remaining, 240.867188 MB of memory in use. ENERGY: 2235800 3978.2435 20624.4210 14455.6948 234.6131 -203860.2163 2557.9200 0.0000 0.0000 51933.4281 -110075.8958 298.4621 -162009.3239 -109715.1901 297.1072 25.5484 49.0236 762668.8186 -1.8429 -1.8429 PRESSURE: 2236000 -147.058 18.2477 -25.883 18.2464 -165.204 -482.72 -25.882 -482.721 -34.4181 GPRESSURE: 2236000 -147.935 -40.8664 -15.275 -59.0519 -102.045 -443.676 -93.5048 -388.416 -32.6567 PRESSAVG: 2236000 16.7001 -11.0453 18.3057 -11.0452 -22.2338 -35.5602 18.3058 -35.5601 -12.9937 GPRESSAVG: 2236000 16.3852 -9.9161 17.4532 -13.2233 -21.6948 -36.103 16.8273 -34.1903 -13.1134 TIMING: 2236000 CPU: 7139.4, 0.00318075/step Wall: 7139.4, 0.00318075/step, 2.44211 hours remaining, 240.867188 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: 2236000 4030.6098 20664.6887 14370.8378 263.4547 -203426.7642 2320.7423 0.0000 0.0000 51985.0536 -109791.3773 298.7588 -161776.4309 -109423.3481 298.6908 -115.5598 -94.2123 760344.5934 -6.1758 -6.1410 PRESSURE: 2236200 -80.3625 43.8388 103.251 43.8384 245.496 206.19 103.251 206.191 -165.826 GPRESSURE: 2236200 -32.7259 56.7682 133.68 31.974 199.897 265.697 -25.3661 -55.0596 -84.1523 PRESSAVG: 2236200 31.8581 7.76388 -28.6261 7.76381 4.29586 -38.4664 -28.6262 -38.4664 -7.36493 GPRESSAVG: 2236200 32.5789 8.36459 -26.2233 8.47975 3.63272 -37.1306 -30.7583 -37.9215 -7.15 TIMING: 2236200 CPU: 7140.04, 0.00317299/step Wall: 7140.04, 0.00317299/step, 2.43598 hours remaining, 240.867188 MB of memory in use. ENERGY: 2236200 3952.6390 20443.4009 14494.5362 241.4930 -203539.5493 2595.7352 0.0000 0.0000 52123.7791 -109687.9659 299.5561 -161811.7450 -109324.3330 299.2012 -0.2308 27.6730 761597.6344 9.5963 9.6872 LDB: ============= START OF LOAD BALANCING ============== 7152.49 LDB: ============== END OF LOAD BALANCING =============== 7152.49 LDB: =============== DONE WITH MIGRATION ================ 7152.49 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 7152.81 LDB: Largest compute 7060 load 0.036183 is 18.5% of average load 0.195301 LDB: Average compute 0.004375 is 2.2% of average load 0.195301 LDB: TIME 7152.81 LOAD: AVG 0.195301 MAX 0.21663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.18 MB LDB: TIME 7152.81 LOAD: AVG 0.195301 MAX 0.21663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.18 MB LDB: TIME 7152.81 LOAD: AVG 0.195301 MAX 0.21663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.18 MB LDB: ============== END OF LOAD BALANCING =============== 7152.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7152.82 PRESSURE: 2236400 368.425 -179.279 -26.2778 -179.279 492.342 -26.3943 -26.2776 -26.3937 32.1233 GPRESSURE: 2236400 461.187 -244.567 10.3887 -167.662 506.511 -3.36669 -51.9746 66.2617 20.2551 PRESSAVG: 2236400 -44.2022 -35.8647 7.48659 -35.8647 38.8371 2.26833 7.48654 2.26836 3.21417 GPRESSAVG: 2236400 -43.2416 -35.5336 6.33891 -35.4632 38.9078 1.46785 8.52648 1.23687 2.75133 TIMING: 2236400 CPU: 7140.68, 0.00323259/step Wall: 7140.68, 0.00323259/step, 2.48155 hours remaining, 240.296875 MB of memory in use. ENERGY: 2236400 3918.9885 20485.7466 14352.3147 247.6539 -204035.4841 3052.6555 0.0000 0.0000 52088.5232 -109889.6017 299.3535 -161978.1249 -109535.5966 299.0964 297.6302 329.3179 761136.1982 -0.7170 -0.5275 PRESSURE: 2236600 -147.962 11.9747 -202.359 11.9743 -305.669 29.7478 -202.361 29.7484 168.852 GPRESSURE: 2236600 -137.225 -36.0442 -184.241 12.6102 -259.13 8.69147 -176.82 38.7541 186.457 PRESSAVG: 2236600 -44.7671 -66.8224 -17.9095 -66.8224 1.43309 -9.23181 -17.9094 -9.23181 -17.9154 GPRESSAVG: 2236600 -45.1083 -69.3891 -18.6795 -66.6648 1.70179 -10.4633 -16.026 -7.28463 -18.1629 TIMING: 2236600 CPU: 7141.32, 0.00320059/step Wall: 7141.32, 0.00320059/step, 2.45681 hours remaining, 240.296875 MB of memory in use. ENERGY: 2236600 3954.4628 20555.4151 14454.7040 236.5272 -203383.6854 2439.8635 0.0000 0.0000 51811.0383 -109931.6745 297.7587 -161742.7128 -109569.9621 298.6026 -94.9265 -69.9661 761929.0757 -20.4165 -20.5231 PRESSURE: 2236800 -37.6577 -64.4588 -149.239 -64.4596 -110.867 121.869 -149.24 121.868 -36.9623 GPRESSURE: 2236800 44.5361 -138.171 -184.615 -197.867 -1.24057 138.435 -150.569 59.7452 -136.213 PRESSAVG: 2236800 49.4928 -61.7478 -66.2043 -61.7477 -49.0531 -69.5745 -66.2042 -69.5746 37.7962 GPRESSAVG: 2236800 49.2061 -58.2012 -67.5659 -61.952 -48.9261 -68.9362 -65.9948 -72.2538 37.9532 TIMING: 2236800 CPU: 7141.96, 0.00315275/step Wall: 7141.96, 0.00315275/step, 2.41991 hours remaining, 240.296875 MB of memory in use. ENERGY: 2236800 4000.4327 20671.2411 14421.5607 253.7538 -203623.5617 2598.9435 0.0000 0.0000 51798.5389 -109879.0910 297.6869 -161677.6299 -109520.7174 298.1714 -61.8289 -30.9725 761816.1799 12.7453 12.7444 PRESSURE: 2237000 -255.954 -27.6916 -87.1235 -27.6925 -190.79 139.256 -87.1232 139.256 -242.133 GPRESSURE: 2237000 -198.905 17.5908 -55.9038 66.6715 -158.776 205.538 -76.7744 190.464 -260.173 PRESSAVG: 2237000 -41.6935 31.4633 -39.2037 31.4633 5.39531 -32.8372 -39.2037 -32.8372 -32.3344 GPRESSAVG: 2237000 -40.317 30.1004 -36.6712 30.9836 4.69291 -31.6915 -39.5944 -30.9069 -32.7139 TIMING: 2237000 CPU: 7142.59, 0.00316506/step Wall: 7142.59, 0.00316506/step, 2.42918 hours remaining, 240.296875 MB of memory in use. ENERGY: 2237000 3943.6685 20607.4186 14477.7743 264.5170 -203921.0528 2684.6487 0.0000 0.0000 51953.2489 -109989.7769 298.5760 -161943.0258 -109633.4161 298.1175 -229.6260 -205.9514 762352.5227 -22.8775 -22.7793 PRESSURE: 2237200 -38.7506 89.0384 52.148 89.04 -230.735 169.957 52.1486 169.957 -343.915 GPRESSURE: 2237200 -60.515 164.562 6.4533 83.1317 -189.844 171.884 -48.2197 179.809 -304.164 PRESSAVG: 2237200 5.20899 -0.872618 31.0284 -0.872573 10.2005 -19.4192 31.0285 -19.4192 -4.76509 GPRESSAVG: 2237200 2.95159 -0.757212 29.642 1.97386 10.7784 -20.7609 30.6588 -19.2442 -3.11706 TIMING: 2237200 CPU: 7143.23, 0.0032046/step Wall: 7143.23, 0.0032046/step, 2.45935 hours remaining, 240.296875 MB of memory in use. ENERGY: 2237200 3940.4026 20572.8198 14387.2014 272.9073 -203586.2019 2412.4955 0.0000 0.0000 51997.0464 -110003.3290 298.8277 -162000.3754 -109647.6013 298.4272 -204.4667 -184.8409 759815.1283 3.5481 3.5377 PRESSURE: 2237400 389.15 67.4358 53.5753 67.4358 104.265 -61.9634 53.5756 -61.963 118.745 GPRESSURE: 2237400 391.733 -56.8108 98.7331 65.3291 222.648 -5.9167 91.005 -220.832 106.009 PRESSAVG: 2237400 -18.1066 46.7467 26.1847 46.7467 25.1931 -38.6093 26.1848 -38.6093 19.05 GPRESSAVG: 2237400 -17.2808 47.1321 26.9787 44.2006 25.2582 -38.078 24.4271 -38.2394 17.8169 TIMING: 2237400 CPU: 7143.87, 0.00320443/step Wall: 7143.87, 0.00320443/step, 2.45905 hours remaining, 240.296875 MB of memory in use. ENERGY: 2237400 3960.4610 20574.2726 14380.3363 234.1935 -203677.2245 2572.5732 0.0000 0.0000 52146.2474 -109809.1404 299.6852 -161955.3878 -109448.1229 298.8314 204.0533 240.1297 759487.4585 8.7122 8.5981 PRESSURE: 2237600 131.406 140.204 17.3452 140.204 42.6066 117.448 17.3448 117.446 252.003 GPRESSURE: 2237600 127.945 161.188 131.462 116.33 97.4705 61.2766 -73.104 91.8008 291.479 PRESSAVG: 2237600 10.6048 -5.63796 40.4896 -5.63795 -60.6648 -10.0273 40.4896 -10.0272 16.6704 GPRESSAVG: 2237600 10.8528 -6.80768 38.9861 -6.45848 -60.6348 -10.5188 42.6838 -12.6496 16.2517 TIMING: 2237600 CPU: 7144.5, 0.00314241/step Wall: 7144.5, 0.00314241/step, 2.41128 hours remaining, 240.296875 MB of memory in use. ENERGY: 2237600 3867.8637 20473.8355 14387.2770 250.2886 -202879.1881 2174.9228 0.0000 0.0000 52057.6066 -109667.3939 299.1758 -161725.0005 -109312.1873 298.9513 142.0052 172.2980 760204.4089 -11.1299 -11.1768 PRESSURE: 2237800 105.447 -94.1935 -26.9818 -94.1944 18.5709 443.999 -26.9829 443.999 -154.431 GPRESSURE: 2237800 163.162 -62.1428 -98.3248 -14.1819 40.4417 422.833 -33.1481 401.238 -160.347 PRESSAVG: 2237800 74.2932 -36.3741 -32.4099 -36.3742 -63.6086 -9.74504 -32.4099 -9.74499 -9.20508 GPRESSAVG: 2237800 72.0493 -35.0439 -31.9314 -34.446 -63.1365 -9.43707 -32.4404 -7.4986 -7.07845 TIMING: 2237800 CPU: 7145.13, 0.00315459/step Wall: 7145.13, 0.00315459/step, 2.42045 hours remaining, 240.296875 MB of memory in use. ENERGY: 2237800 3992.7224 20319.4189 14422.3814 243.1476 -203294.9290 2550.2931 0.0000 0.0000 51960.1077 -109806.8580 298.6155 -161766.9657 -109443.5404 298.6651 -10.1375 14.4188 760421.0417 0.4932 0.6115 PRESSURE: 2238000 -121.1 -111.015 -250.446 -111.016 46.5628 9.61616 -250.446 9.61696 58.4532 GPRESSURE: 2238000 -66.5562 -5.46792 -248.274 -85.217 35.9002 -56.9897 -160.419 -103.068 93.8768 PRESSAVG: 2238000 -40.6562 -9.54572 -28.483 -9.54572 33.4144 -13.381 -28.4831 -13.3811 12.4791 GPRESSAVG: 2238000 -37.3968 -9.64881 -27.7401 -10.575 30.8314 -11.9554 -29.18 -17.192 11.2791 TIMING: 2238000 CPU: 7145.76, 0.00315115/step Wall: 7145.76, 0.00315115/step, 2.41763 hours remaining, 240.296875 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: 2238000 3977.6961 20539.2569 14396.5462 233.9702 -203486.5434 2648.2722 0.0000 0.0000 51948.7837 -109742.0181 298.5504 -161690.8018 -109384.0874 298.8806 -5.3614 21.0736 761117.0835 1.7458 1.5712 PRESSURE: 2238200 293.964 -8.69438 9.05067 -8.6946 24.3143 295.022 9.05099 295.02 18.8705 GPRESSURE: 2238200 259.215 -9.45325 -112.649 -45.0218 108.257 287.547 59.5262 350.442 46.1877 PRESSAVG: 2238200 -4.39359 -67.7461 -29.2842 -67.7461 30.4072 -23.7158 -29.2841 -23.7157 -21.4509 GPRESSAVG: 2238200 -5.64325 -67.8135 -29.9124 -68.7163 31.5901 -25.9446 -29.2291 -19.7476 -21.8318 TIMING: 2238200 CPU: 7146.39, 0.00315272/step Wall: 7146.39, 0.00315272/step, 2.41866 hours remaining, 240.296875 MB of memory in use. ENERGY: 2238200 4051.9110 20484.6195 14402.5815 247.3834 -203748.1467 2854.9527 0.0000 0.0000 52201.2938 -109505.4048 300.0016 -161706.6986 -109147.8381 299.2173 112.3830 137.8867 759482.6546 1.5209 1.3717 PRESSURE: 2238400 -100.659 -252.036 -40.2685 -252.036 -260.15 -118.31 -40.2683 -118.311 20.6731 GPRESSURE: 2238400 -139.893 -170.442 -26.7925 -66.4812 -175.642 -159.171 -7.88951 -82.3085 53.6675 PRESSAVG: 2238400 -2.66045 -33.9199 1.47758 -33.9199 -4.31671 -12.0126 1.47757 -12.0125 -1.69889 GPRESSAVG: 2238400 -3.44305 -32.6438 1.45142 -33.1822 -4.02884 -9.56025 2.33778 -12.8675 -1.0105 TIMING: 2238400 CPU: 7147.02, 0.0031452/step Wall: 7147.02, 0.0031452/step, 2.41272 hours remaining, 240.296875 MB of memory in use. ENERGY: 2238400 4004.4385 20534.1153 14442.7472 245.4583 -203348.5497 2652.1020 0.0000 0.0000 51825.2704 -109644.4181 297.8405 -161469.6885 -109286.5375 299.1035 -113.3786 -87.2894 761581.3930 -2.8920 -2.8275 PRESSURE: 2238600 -219.368 -89.6754 -80.6998 -89.6752 92.0617 -222.521 -80.6996 -222.52 487.862 GPRESSURE: 2238600 -110.694 -104.413 -130.385 -12.6652 8.22465 -136.7 -139.659 -143.707 564.212 PRESSAVG: 2238600 -46.2842 32.6495 -35.2573 32.6495 53.6337 -12.1804 -35.2573 -12.1804 11.8761 GPRESSAVG: 2238600 -46.9492 28.7107 -34.7667 34.7768 53.9843 -13.2002 -38.2893 -11.1827 12.0274 TIMING: 2238600 CPU: 7147.65, 0.00316616/step Wall: 7147.65, 0.00316616/step, 2.42862 hours remaining, 240.296875 MB of memory in use. ENERGY: 2238600 3874.2648 20472.7957 14336.9571 249.8087 -203433.6391 2736.4079 0.0000 0.0000 52376.3186 -109387.0863 301.0074 -161763.4049 -109012.0509 299.1905 120.1851 153.9143 762171.3670 6.4085 6.3542 PRESSURE: 2238800 85.5105 85.5602 -146.91 85.5598 -62.7536 90.5298 -146.91 90.5301 185.855 GPRESSURE: 2238800 141.944 82.2966 -106.848 96.5254 -0.285982 6.63931 -118.869 -65.5396 154.566 PRESSAVG: 2238800 -29.7569 -1.33363 -18.0395 -1.33369 43.6442 -77.6178 -18.0395 -77.6177 23.5416 GPRESSAVG: 2238800 -29.1078 2.19868 -18.3041 -3.57586 42.7887 -78.646 -17.5999 -78.4285 23.2434 TIMING: 2238800 CPU: 7148.28, 0.00314812/step Wall: 7148.28, 0.00314812/step, 2.41461 hours remaining, 240.296875 MB of memory in use. ENERGY: 2238800 3990.4008 20515.5631 14388.4455 256.1221 -203694.4629 2823.5377 0.0000 0.0000 52308.0856 -109412.3080 300.6153 -161720.3937 -109046.5341 299.7481 69.5374 98.7411 762716.2258 12.4763 12.3081 PRESSURE: 2239000 107.022 -149.128 -238.043 -149.128 -51.4483 -76.1408 -238.043 -76.1416 359.086 GPRESSURE: 2239000 152.891 -136.204 -229.516 -128.015 66.5715 -94.9708 -158.36 6.16451 278.027 PRESSAVG: 2239000 33.9657 -88.1186 23.0285 -88.1187 -28.7389 -25.9751 23.0285 -25.975 14.2695 GPRESSAVG: 2239000 32.1956 -89.3838 23.8393 -88.0918 -26.3262 -25.276 23.2801 -26.8705 13.4388 TIMING: 2239000 CPU: 7148.91, 0.0031645/step Wall: 7148.91, 0.0031645/step, 2.42699 hours remaining, 240.296875 MB of memory in use. ENERGY: 2239000 3969.8287 20470.6489 14429.8083 250.3684 -203421.7014 2732.7352 0.0000 0.0000 52080.5799 -109487.7320 299.3078 -161568.3119 -109128.5473 299.3888 138.2200 165.8300 761922.8994 6.4988 6.4361 PRESSURE: 2239200 66.9272 -226.388 15.7077 -226.388 156.08 36.2378 15.7079 36.2375 250.058 GPRESSURE: 2239200 186.112 -157.904 -60.9477 -165.106 103.579 66.1884 103.146 62.3273 260.576 PRESSAVG: 2239200 41.5377 -92.6689 -9.35049 -92.6689 -11.1768 -30.9466 -9.35049 -30.9466 23.2122 GPRESSAVG: 2239200 43.5765 -90.7964 -9.76263 -91.3188 -13.652 -30.0934 -8.50372 -29.8417 23.3991 TIMING: 2239200 CPU: 7149.55, 0.00317408/step Wall: 7149.55, 0.00317408/step, 2.43417 hours remaining, 240.296875 MB of memory in use. ENERGY: 2239200 3930.7557 20508.7311 14504.9163 241.7625 -203256.6971 2425.1542 0.0000 0.0000 52013.6769 -109631.7005 298.9233 -161645.3774 -109259.6018 299.6167 157.6884 183.4223 760278.9728 17.8577 17.7745 PRESSURE: 2239400 -232.179 -70.0849 68.1728 -70.0848 -145.981 -64.9643 68.1723 -64.9656 180.063 GPRESSURE: 2239400 -186.098 23.7959 41.5168 -39.7853 -124.328 -58.2455 114.635 -89.6091 182.48 PRESSAVG: 2239400 -10.5311 -22.742 6.00259 -22.742 14.5247 -76.928 6.00263 -76.9281 -18.6417 GPRESSAVG: 2239400 -9.80756 -25.0633 6.93959 -23.6853 15.4385 -78.1647 4.2669 -76.6672 -20.0205 TIMING: 2239400 CPU: 7150.18, 0.00315658/step Wall: 7150.18, 0.00315658/step, 2.42057 hours remaining, 240.296875 MB of memory in use. ENERGY: 2239400 3965.7553 20723.7331 14568.8338 247.2463 -203578.6803 2539.6684 0.0000 0.0000 52097.8519 -109435.5916 299.4071 -161533.4435 -109079.0227 299.0002 -66.0321 -42.6487 760406.2217 -4.8827 -4.7965 PRESSURE: 2239600 12.5901 36.2611 -137.292 36.2607 42.6017 -113.688 -137.291 -113.688 -12.7988 GPRESSURE: 2239600 -14.9026 -3.2164 -135.539 -11.3801 141.578 -190.304 -91.4073 -29.7777 4.8482 PRESSAVG: 2239600 -28.5647 -38.106 -25.123 -38.1061 -4.83252 -29.5813 -25.1231 -29.5814 15.9548 GPRESSAVG: 2239600 -29.0675 -38.2205 -26.6106 -37.7641 -5.32865 -28.5262 -23.7213 -33.0221 17.4149 TIMING: 2239600 CPU: 7150.81, 0.0031444/step Wall: 7150.81, 0.0031444/step, 2.41106 hours remaining, 240.296875 MB of memory in use. ENERGY: 2239600 4049.3477 20555.1190 14522.3601 242.8633 -203817.2723 2813.9353 0.0000 0.0000 52233.5658 -109400.0811 300.1870 -161633.6469 -109034.4378 300.3908 14.1310 43.8412 761449.3952 -5.8141 -5.6604 PRESSURE: 2239800 -0.4952 -91.0474 -106.865 -91.0468 -135.304 -229.734 -106.864 -229.735 -144.525 GPRESSURE: 2239800 59.8914 -64.8266 -132.956 -27.5007 -121.966 -182.503 -91.1083 -109.883 -116.408 PRESSAVG: 2239800 -26.2922 -42.8216 30.2785 -42.8217 -0.838098 -1.55654 30.2785 -1.55659 20.0406 GPRESSAVG: 2239800 -25.2161 -41.1285 29.2274 -41.9834 -1.48088 -0.823922 31.5961 1.76448 19.7488 TIMING: 2239800 CPU: 7151.45, 0.00317882/step Wall: 7151.45, 0.00317882/step, 2.43727 hours remaining, 240.296875 MB of memory in use. ENERGY: 2239800 4043.7442 20598.5185 14514.2957 256.0638 -203221.7594 2522.3902 0.0000 0.0000 52072.9578 -109213.7891 299.2640 -161286.7468 -108862.8283 299.6240 -93.4414 -59.4940 762149.5279 -2.3632 -2.3160 PRESSURE: 2240000 -42.3517 -29.2095 -131.74 -29.2093 -75.1908 -177.15 -131.739 -177.151 259.609 GPRESSURE: 2240000 -4.48608 -3.27741 -70.4314 -23.5509 -22.2495 -190.278 -242.899 -345.098 244.151 PRESSAVG: 2240000 24.1171 4.88228 -33.1989 4.88227 45.8088 -117.797 -33.199 -117.797 5.74308 GPRESSAVG: 2240000 23.1631 4.61767 -32.2708 3.56588 47.5114 -118.186 -33.8589 -118.494 4.62621 TIMING: 2240000 CPU: 7152.08, 0.00319343/step Wall: 7152.08, 0.00319343/step, 2.4483 hours remaining, 240.296875 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: 2240000 3994.8859 20468.6059 14482.6552 252.1249 -203776.6003 3069.0112 0.0000 0.0000 52145.7075 -109363.6097 299.6821 -161509.3172 -109006.6149 300.2071 47.3556 72.4718 762602.8378 25.2230 25.1002 PRESSURE: 2240200 -104.983 26.8344 150.214 26.8344 -222.429 128.102 150.214 128.101 -39.2983 GPRESSURE: 2240200 -82.1355 -37.5875 147.484 -32.1326 -216.535 125.799 159.364 105.573 11.854 PRESSAVG: 2240200 19.8258 7.31547 -57.4147 7.31548 -22.747 -18.7017 -57.4147 -18.7017 -41.9765 GPRESSAVG: 2240200 18.488 7.75194 -58.2251 9.0892 -22.1297 -18.3615 -58.6498 -18.5084 -41.2421 TIMING: 2240200 CPU: 7152.72, 0.00317272/step Wall: 7152.72, 0.00317272/step, 2.43224 hours remaining, 240.296875 MB of memory in use. ENERGY: 2240200 3960.5800 20478.2445 14474.2896 249.0282 -202815.3727 2122.4380 0.0000 0.0000 52196.1032 -109334.6891 299.9717 -161530.7923 -108972.3535 299.7408 -122.2368 -95.6056 762463.2923 -14.9659 -14.9613 LDB: ============= START OF LOAD BALANCING ============== 7165.17 LDB: ============== END OF LOAD BALANCING =============== 7165.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7165.17 LDB: ============= START OF LOAD BALANCING ============== 7165.49 LDB: Largest compute 7060 load 0.037626 is 19.3% of average load 0.195184 LDB: Average compute 0.004388 is 2.2% of average load 0.195184 LDB: TIME 7165.5 LOAD: AVG 0.195184 MAX 0.215387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.445 MB LDB: TIME 7165.5 LOAD: AVG 0.195184 MAX 0.215387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.539 MB LDB: TIME 7165.5 LOAD: AVG 0.195184 MAX 0.215387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.539 MB LDB: ============== END OF LOAD BALANCING =============== 7165.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7165.5 PRESSURE: 2240400 -173.739 -7.06075 -276.154 -7.06138 -37.8286 23.5324 -276.153 23.5326 -219.102 GPRESSURE: 2240400 -183.319 -57.0244 -225.289 -11.7561 10.1828 61.0859 -234.401 1.70533 -180.88 PRESSAVG: 2240400 29.408 -51.7763 -48.5942 -51.7763 -43.7066 -4.21301 -48.5943 -4.21297 -10.757 GPRESSAVG: 2240400 30.8636 -52.6379 -47.048 -53.3417 -44.3699 -4.4614 -47.774 -3.45556 -11.0105 TIMING: 2240400 CPU: 7153.37, 0.00324914/step Wall: 7153.37, 0.00324914/step, 2.49064 hours remaining, 241.117188 MB of memory in use. ENERGY: 2240400 3981.8843 20601.0872 14487.6083 251.8403 -203182.1058 2565.7780 0.0000 0.0000 52251.2049 -109042.7029 300.2884 -161293.9078 -108684.0474 300.2132 -143.5567 -118.0055 762290.4322 -8.3519 -8.1723 PRESSURE: 2240600 71.1061 -80.8089 -22.2106 -80.8091 220.246 -69.5391 -22.2095 -69.5405 408.627 GPRESSURE: 2240600 78.2477 -90.1255 -1.77264 -221.83 211.627 -143.141 -129.218 20.5261 491.096 PRESSAVG: 2240600 -12.2368 -1.83567 -31.5315 -1.83568 41.7917 -67.1635 -31.5316 -67.1634 1.31383 GPRESSAVG: 2240600 -12.3257 -1.23355 -33.0431 -2.12123 41.1114 -67.7538 -31.3286 -66.8695 1.86497 TIMING: 2240600 CPU: 7154, 0.00316091/step Wall: 7154, 0.00316091/step, 2.42284 hours remaining, 241.316406 MB of memory in use. ENERGY: 2240600 3964.2048 20459.9749 14521.9042 288.8579 -203572.9198 2677.2517 0.0000 0.0000 52299.4486 -109361.2777 300.5656 -161660.7263 -108990.2379 299.8334 233.3264 260.3236 761389.9577 10.2896 10.2169 PRESSURE: 2240800 -126.387 0.350319 302.558 0.351245 174.09 242.635 302.559 242.635 230.011 GPRESSURE: 2240800 -68.2064 -27.812 242.912 92.1282 174.18 149.139 379.14 148.2 239.835 PRESSAVG: 2240800 -7.1207 -50.0531 -44.1344 -50.0532 -9.53084 -19.7977 -44.1344 -19.7978 2.41125 GPRESSAVG: 2240800 -8.75111 -52.0105 -42.9299 -48.5557 -8.48282 -21.6238 -42.6034 -19.8201 2.65975 TIMING: 2240800 CPU: 7154.63, 0.00316557/step Wall: 7154.63, 0.00316557/step, 2.42623 hours remaining, 241.316406 MB of memory in use. ENERGY: 2240800 3961.0719 20667.4058 14498.7923 224.5401 -203265.4300 2575.5169 0.0000 0.0000 52136.4819 -109201.6212 299.6291 -161338.1030 -108845.9127 300.0528 92.5715 115.2693 761286.5278 -4.7468 -4.8581 PRESSURE: 2241000 -185.413 112.668 122.148 112.668 178.998 -360.601 122.147 -360.601 183.094 GPRESSURE: 2241000 -81.666 22.8374 210.388 273.729 193.051 -290.741 2.03415 -285.664 147.679 PRESSAVG: 2241000 -36.9037 17.3281 5.68815 17.3281 54.5951 7.00384 5.68821 7.0039 1.61291 GPRESSAVG: 2241000 -36.2464 17.3326 4.41833 18.3211 54.4843 10.0192 5.19825 5.90508 0.98296 TIMING: 2241000 CPU: 7155.27, 0.00317265/step Wall: 7155.27, 0.00317265/step, 2.43149 hours remaining, 241.316406 MB of memory in use. ENERGY: 2241000 3989.1997 20571.8502 14424.1542 238.9675 -203374.5633 2630.9367 0.0000 0.0000 52067.8445 -109451.6105 299.2346 -161519.4551 -109084.6026 299.8054 58.8927 86.3544 761903.8066 6.4348 6.4069 PRESSURE: 2241200 6.33087 95.593 -74.7113 95.5929 -368.804 -129.999 -74.7113 -129.999 -41.259 GPRESSURE: 2241200 -33.4933 -92.5335 -51.5741 76.3583 -312.179 -141.301 -163.636 -168.701 22.3031 PRESSAVG: 2241200 1.22851 -61.8464 -26.1765 -61.8463 -26.6509 -57.6459 -26.1765 -57.646 3.99755 GPRESSAVG: 2241200 0.0134856 -62.2938 -27.1131 -64.0353 -26.3978 -58.3759 -27.3792 -55.8959 4.61766 TIMING: 2241200 CPU: 7155.9, 0.00317392/step Wall: 7155.9, 0.00317392/step, 2.43228 hours remaining, 241.316406 MB of memory in use. ENERGY: 2241200 3929.7485 20514.5130 14411.7413 238.2873 -203212.4272 2445.5023 0.0000 0.0000 52002.0814 -109670.5535 298.8567 -161672.6349 -109302.8906 299.4644 -134.5774 -107.7898 761566.4901 -7.1416 -7.2555 PRESSURE: 2241400 -343.73 -101.18 -109.115 -101.18 -272.748 -168.989 -109.115 -168.99 94.4829 GPRESSURE: 2241400 -270.916 -39.8438 -98.5528 -22.3039 -242.725 -31.8915 -208.905 -152.978 83.1916 PRESSAVG: 2241400 5.67542 -14.51 -80.5136 -14.51 -26.5436 -71.2744 -80.5136 -71.2744 6.43685 GPRESSAVG: 2241400 6.49501 -14.1461 -79.3424 -11.8192 -26.3809 -70.5383 -80.0681 -73.6141 6.10728 TIMING: 2241400 CPU: 7156.54, 0.00317018/step Wall: 7156.54, 0.00317018/step, 2.42923 hours remaining, 241.316406 MB of memory in use. ENERGY: 2241400 4072.5667 20701.5754 14381.9792 256.8748 -203530.9544 2587.0093 0.0000 0.0000 51647.6061 -109883.3429 296.8195 -161530.9490 -109547.8162 298.7147 -173.9987 -143.4833 762741.9377 -4.8104 -4.5929 PRESSURE: 2241600 -249.551 -13.1364 47.9862 -13.1358 64.7462 163.16 47.9864 163.16 -157.217 GPRESSURE: 2241600 -152.125 54.238 162.952 -42.7324 71.2366 181.197 3.87105 157.563 -160.36 PRESSAVG: 2241600 19.2047 -26.0369 -31.3562 -26.0369 -27.5173 -13.6325 -31.3562 -13.6324 -10.1716 GPRESSAVG: 2241600 19.0498 -22.7581 -29.8653 -28.3757 -27.875 -14.2092 -31.2234 -12.4037 -9.96096 TIMING: 2241600 CPU: 7157.17, 0.00318356/step Wall: 7157.17, 0.00318356/step, 2.43932 hours remaining, 241.316406 MB of memory in use. ENERGY: 2241600 3948.8652 20362.7032 14456.1993 255.6570 -203582.0330 2565.7361 0.0000 0.0000 52192.7627 -109800.1095 299.9525 -161992.8722 -109432.0478 298.4624 -114.0072 -80.4160 762155.5708 -6.1614 -6.2620 PRESSURE: 2241800 123.756 -37.3066 -77.9413 -37.3072 77.1894 -98.1494 -77.9412 -98.1491 -29.1855 GPRESSURE: 2241800 182.564 -50.6197 -36.2792 -66.5986 45.7206 4.76249 -53.7646 -182.46 32.1524 PRESSAVG: 2241800 1.12118 -54.1307 -18.5092 -54.1307 8.03539 34.7359 -18.5093 34.7359 -16.3773 GPRESSAVG: 2241800 2.90837 -57.2352 -19.5004 -54.0768 6.1372 35.2167 -19.3956 35.702 -16.0856 TIMING: 2241800 CPU: 7157.8, 0.00315291/step Wall: 7157.8, 0.00315291/step, 2.41566 hours remaining, 241.316406 MB of memory in use. ENERGY: 2241800 3991.9869 20482.8943 14412.2861 248.5885 -203693.7053 2644.4765 0.0000 0.0000 51810.8132 -110102.6598 297.7575 -161913.4730 -109748.6183 298.3279 57.2533 86.8123 761795.6371 -2.4069 -2.3467 PRESSURE: 2242000 -138.138 58.749 -315.661 58.7484 53.6057 10.4702 -315.661 10.4699 -188.225 GPRESSURE: 2242000 -107.013 35.096 -375.347 -5.39026 80.5532 109.747 -231.817 -93.4646 -184.653 PRESSAVG: 2242000 21.7455 24.0224 -53.6105 24.0224 -37.1251 -16.6837 -53.6105 -16.6837 28.1846 GPRESSAVG: 2242000 20.6548 23.4682 -53.7369 25.4726 -35.1686 -17.6641 -54.1176 -16.6436 27.0181 TIMING: 2242000 CPU: 7158.43, 0.003133/step Wall: 7158.43, 0.003133/step, 2.40022 hours remaining, 241.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2242000 3968.3138 20535.7177 14383.4168 248.0739 -203625.9833 2588.7469 0.0000 0.0000 51873.5107 -110028.2036 298.1178 -161901.7143 -109667.9588 297.9318 -90.9193 -70.3709 761585.6330 4.2684 4.1681 PRESSURE: 2242200 -152.44 68.4608 -201.889 68.4601 -213.959 -108.441 -201.89 -108.442 34.123 GPRESSURE: 2242200 -128.739 93.1021 -172.698 173.948 -254.301 -56.7757 -132.177 -228.767 116.087 PRESSAVG: 2242200 -15.7197 -10.6056 4.63862 -10.6056 31.2083 -39.7479 4.63863 -39.7478 1.91622 GPRESSAVG: 2242200 -15.5059 -10.0075 5.6894 -10.0499 30.3054 -39.5356 4.80949 -41.071 2.01335 TIMING: 2242200 CPU: 7159.06, 0.00316633/step Wall: 7159.06, 0.00316633/step, 2.42559 hours remaining, 241.316406 MB of memory in use. ENERGY: 2242200 4010.2172 20509.6178 14409.0002 237.5757 -203767.0958 2585.0178 0.0000 0.0000 51961.6288 -110054.0382 298.6242 -162015.6671 -109691.4966 298.3610 -110.7586 -88.9844 760276.4408 5.8016 5.6043 PRESSURE: 2242400 112.023 -249.573 -47.4314 -249.573 -28.3542 -162.015 -47.4306 -162.017 22.5482 GPRESSURE: 2242400 116.792 -139.089 -80.8546 -246.601 29.9888 -241.176 -58.3157 -36.3452 8.93347 PRESSAVG: 2242400 20.1038 -32.1814 -47.5915 -32.1814 44.1768 10.525 -47.5915 10.5251 -8.40763 GPRESSAVG: 2242400 18.9906 -32.4647 -48.3623 -33.0633 44.4841 9.10182 -45.7132 12.3989 -7.85329 TIMING: 2242400 CPU: 7159.7, 0.00317117/step Wall: 7159.7, 0.00317117/step, 2.42911 hours remaining, 241.316406 MB of memory in use. ENERGY: 2242400 3906.1736 20500.8642 14346.9105 226.2525 -203621.6977 2536.2677 0.0000 0.0000 52038.7185 -110066.5107 299.0672 -162105.2292 -109706.4530 298.3721 35.4056 51.9046 760599.9455 18.6243 18.5404 PRESSURE: 2242600 168.422 40.8012 36.7471 40.801 222.118 150.68 36.7467 150.681 316.319 GPRESSURE: 2242600 194.999 -96.2201 83.0723 50.8267 280.958 83.3265 -41.5052 197.607 296.353 PRESSAVG: 2242600 60.9298 -20.3799 -15.8145 -20.3799 -18.4082 35.0418 -15.8145 35.0418 -9.50734 GPRESSAVG: 2242600 61.0833 -20.6751 -18.5119 -20.3483 -18.4413 36.1028 -15.9007 34.5092 -9.44338 TIMING: 2242600 CPU: 7160.33, 0.00316063/step Wall: 7160.33, 0.00316063/step, 2.42087 hours remaining, 241.316406 MB of memory in use. ENERGY: 2242600 3987.9478 20453.2950 14444.1132 254.8231 -204028.3134 3019.3086 0.0000 0.0000 51751.3084 -110117.5173 297.4155 -161868.8257 -109751.1821 297.9184 235.6197 257.4367 758597.0343 11.0047 11.0662 PRESSURE: 2242800 -339.546 -187.287 72.2075 -187.288 -431.411 50.8416 72.2072 50.8401 729.712 GPRESSURE: 2242800 -179.961 -227.064 90.5499 -150.201 -461.501 106.485 97.0448 101.263 679.505 PRESSAVG: 2242800 58.0302 -9.68941 50.9833 -9.68945 -62.6739 25.1483 50.9834 25.1482 2.98924 GPRESSAVG: 2242800 59.0134 -9.96648 54.0005 -8.83786 -64.4281 26.2664 50.0134 22.275 3.59638 TIMING: 2242800 CPU: 7160.96, 0.00316112/step Wall: 7160.96, 0.00316112/step, 2.42107 hours remaining, 241.316406 MB of memory in use. ENERGY: 2242800 3845.5895 20409.3939 14356.9082 246.2846 -203607.3142 2580.5104 0.0000 0.0000 52090.8108 -110077.8170 299.3666 -162168.6277 -109709.4571 298.0006 -13.7485 12.6812 760351.5702 -0.5515 -0.6061 PRESSURE: 2243000 -0.166466 29.8017 72.6975 29.8011 128.454 -145.997 72.6972 -145.997 -135.094 GPRESSURE: 2243000 50.305 133.107 74.2801 27.1237 160.411 -261.264 -9.42691 45.1509 -140.13 PRESSAVG: 2243000 -52.1871 -13.0685 10.6415 -13.0686 64.1595 -15.7823 10.6415 -15.7823 21.0185 GPRESSAVG: 2243000 -53.1072 -13.4717 11.3067 -14.1773 64.7866 -15.7383 9.30509 -16.2876 20.6493 TIMING: 2243000 CPU: 7161.6, 0.00317513/step Wall: 7161.6, 0.00317513/step, 2.43162 hours remaining, 241.316406 MB of memory in use. ENERGY: 2243000 3869.0160 20382.5237 14393.8234 259.2953 -203459.5889 2731.2025 0.0000 0.0000 51966.5343 -109857.1938 298.6524 -161823.7281 -109485.6662 298.3016 -2.2689 23.5289 761212.7382 10.9970 10.7762 PRESSURE: 2243200 -48.267 -21.2273 -332.835 -21.2283 -248.806 66.318 -332.835 66.3183 85.1467 GPRESSURE: 2243200 -70.2754 -45.8748 -275.458 -33.6138 -139.394 64.7728 -273.023 55.8326 66.2646 PRESSAVG: 2243200 -17.7781 -68.1453 -30.3928 -68.1453 17.3408 27.7353 -30.3928 27.7353 -8.37554 GPRESSAVG: 2243200 -17.9607 -68.4055 -30.6852 -68.9877 18.4612 27.5745 -28.0982 29.605 -9.68689 TIMING: 2243200 CPU: 7162.23, 0.0031672/step Wall: 7162.23, 0.0031672/step, 2.42537 hours remaining, 241.316406 MB of memory in use. ENERGY: 2243200 3997.7974 20414.0406 14427.0046 255.3797 -203255.6831 2388.3451 0.0000 0.0000 51962.5544 -109810.5613 298.6295 -161773.1157 -109456.1430 298.6371 -70.6422 -47.8017 760866.7139 -2.9376 -3.0621 PRESSURE: 2243400 -129.69 -194.178 -81.1534 -194.176 300.595 -43.7594 -81.1529 -43.7591 -14.8972 GPRESSURE: 2243400 -47.0586 -223.219 -54.3797 -179.872 315.289 -32.9558 -197.114 -82.9525 -41.24 PRESSAVG: 2243400 -6.85366 -45.4015 -5.72868 -45.4015 6.12078 -32.5031 -5.72862 -32.5031 -3.78512 GPRESSAVG: 2243400 -5.36892 -45.4446 -6.04817 -44.7879 4.51862 -33.0713 -5.76412 -30.3659 -3.85208 TIMING: 2243400 CPU: 7162.86, 0.00315691/step Wall: 7162.86, 0.00315692/step, 2.41732 hours remaining, 241.316406 MB of memory in use. ENERGY: 2243400 3930.6113 20436.4329 14422.0288 246.3755 -203747.1117 2692.4659 0.0000 0.0000 52086.1895 -109933.0079 299.3400 -162019.1974 -109569.7782 298.4069 52.0025 75.6633 760078.2805 -1.5060 -1.5675 PRESSURE: 2243600 -42.2826 23.7391 152.374 23.7387 -192.925 266.387 152.374 266.387 146.406 GPRESSURE: 2243600 -82.589 89.233 147.607 -80.4316 -140.261 316.521 92.5544 253.498 214.867 PRESSAVG: 2243600 4.77446 -46.3353 -32.7438 -46.3354 -36.8945 -10.2168 -32.7438 -10.2168 -12.0922 GPRESSAVG: 2243600 3.64491 -45.7104 -32.7771 -47.041 -37.9216 -8.61172 -33.6884 -12.6314 -10.2968 TIMING: 2243600 CPU: 7163.5, 0.00316521/step Wall: 7163.5, 0.00316521/step, 2.42349 hours remaining, 241.316406 MB of memory in use. ENERGY: 2243600 4042.5281 20479.1420 14483.7615 243.9975 -203524.5441 2620.1438 0.0000 0.0000 51957.0029 -109697.9682 298.5976 -161654.9711 -109334.7122 298.8047 -29.6006 -2.6608 761066.4376 -14.7374 -14.8578 PRESSURE: 2243800 -243.464 84.2207 94.7598 84.2206 -194.882 -62.747 94.7584 -62.7476 -262.198 GPRESSURE: 2243800 -231.838 83.3708 140.314 76.512 -95.3292 -109.093 92.2248 -48.8732 -270.94 PRESSAVG: 2243800 31.0216 -56.3058 71.5625 -56.3058 -38.0063 43.6674 71.5624 43.6675 5.28533 GPRESSAVG: 2243800 29.6766 -57.1045 71.0049 -54.0352 -35.7319 42.8766 70.9342 42.7658 4.81307 TIMING: 2243800 CPU: 7164.13, 0.00317005/step Wall: 7164.13, 0.00317005/step, 2.42703 hours remaining, 241.316406 MB of memory in use. ENERGY: 2243800 4034.0694 20341.0822 14424.7100 266.0716 -203114.2107 2456.8249 0.0000 0.0000 52085.8869 -109505.5656 299.3383 -161591.4526 -109139.3030 299.5154 -233.5147 -199.3690 761983.9622 -0.5665 -0.4141 PRESSURE: 2244000 -156.985 -142.284 -3.05388 -142.284 -335.324 -99.7395 -3.0519 -99.7392 483.612 GPRESSURE: 2244000 -138.181 -52.9632 -15.7012 -147.927 -220.246 -174.861 -62.9555 -34.7886 437.116 PRESSAVG: 2244000 -22.8094 -40.5036 30.7538 -40.5036 -20.2967 -9.4879 30.7539 -9.48791 -12.3527 GPRESSAVG: 2244000 -20.1001 -38.0943 30.6784 -42.1334 -20.9832 -10.9868 30.3314 -8.21731 -13.7762 TIMING: 2244000 CPU: 7164.76, 0.00316238/step Wall: 7164.76, 0.00316238/step, 2.42098 hours remaining, 241.316406 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: 2244000 3999.2225 20419.3870 14427.1971 256.2184 -203525.3056 2720.2936 0.0000 0.0000 52002.8403 -109700.1467 298.8610 -161702.9870 -109329.2384 298.9429 -2.8988 26.2297 762001.1558 -18.4863 -18.2865 PRESSURE: 2244200 -334.047 -80.576 -74.5675 -80.5756 408.491 -48.2104 -74.5677 -48.2121 80.7887 GPRESSURE: 2244200 -219.911 32.0104 -49.4552 -48.5181 346.514 11.7462 -60.1329 -95.0687 122.729 PRESSAVG: 2244200 -0.359685 -56.9657 18.6199 -56.9657 36.2046 36.2461 18.6198 36.246 0.765755 GPRESSAVG: 2244200 -1.41966 -56.6014 19.2474 -57.0689 35.6061 38.2285 18.3904 35.6408 2.33491 TIMING: 2244200 CPU: 7165.39, 0.0031437/step Wall: 7165.39, 0.0031437/step, 2.4065 hours remaining, 241.316406 MB of memory in use. ENERGY: 2244200 3940.0976 20611.4381 14486.3924 251.8839 -203624.0511 2765.2291 0.0000 0.0000 52116.1120 -109452.8981 299.5120 -161569.0101 -109093.1898 299.0353 51.7442 83.1109 761180.8354 12.2035 12.1738 LDB: ============= START OF LOAD BALANCING ============== 7177.84 LDB: ============== END OF LOAD BALANCING =============== 7177.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7177.84 LDB: ============= START OF LOAD BALANCING ============== 7178.16 LDB: Largest compute 7060 load 0.035331 is 18.1% of average load 0.195267 LDB: Average compute 0.004386 is 2.2% of average load 0.195267 LDB: TIME 7178.16 LOAD: AVG 0.195267 MAX 0.215411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 7178.16 LOAD: AVG 0.195267 MAX 0.215411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.988 MB LDB: TIME 7178.16 LOAD: AVG 0.195267 MAX 0.215411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.988 MB LDB: ============== END OF LOAD BALANCING =============== 7178.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.17 PRESSURE: 2244400 -103.853 71.6381 -21.3559 71.6384 118.347 -75.9023 -21.356 -75.9023 4.98287 GPRESSURE: 2244400 -61.5586 104.107 -79.7803 -26.494 146.562 -114.208 -100.943 -140.233 -9.74469 PRESSAVG: 2244400 -53.6965 -83.527 23.9478 -83.5269 60.2736 11.4243 23.9477 11.4243 1.22141 GPRESSAVG: 2244400 -54.5989 -84.7062 23.9094 -82.7969 59.873 11.1045 24.765 11.6252 2.0526 TIMING: 2244400 CPU: 7166.04, 0.00322112/step Wall: 7166.04, 0.00322112/step, 2.46559 hours remaining, 241.117188 MB of memory in use. ENERGY: 2244400 3963.7366 20513.9190 14497.0983 255.2148 -203022.7135 2407.0170 0.0000 0.0000 52054.8374 -109330.8903 299.1599 -161385.7278 -108968.6191 299.4195 6.4923 25.0864 761588.7901 2.5995 2.4422 PRESSURE: 2244600 -147.457 -63.0903 -60.8376 -63.0898 -481.619 -105.032 -60.8377 -105.033 88.2749 GPRESSURE: 2244600 -64.1777 -200.066 -62.7304 -259.906 -449.478 -87.7564 55.7178 -154.242 59.404 PRESSAVG: 2244600 21.4 -108.229 24.6238 -108.229 -46.7565 -51.3236 24.6237 -51.3236 -18.1604 GPRESSAVG: 2244600 22.4938 -109.808 24.8892 -108.516 -47.1935 -50.5445 25.2087 -51.4017 -18.7236 TIMING: 2244600 CPU: 7166.67, 0.00315328/step Wall: 7166.67, 0.00315328/step, 2.41348 hours remaining, 241.187500 MB of memory in use. ENERGY: 2244600 3927.9299 20646.8763 14501.3635 257.5027 -203048.0955 2524.7304 0.0000 0.0000 52161.3634 -109028.3291 299.7721 -161189.6926 -108673.4321 299.7878 -180.2669 -151.4174 762420.9281 -14.5056 -14.4744 PRESSURE: 2244800 -43.5974 140.91 282.505 140.909 173.574 46.4235 282.506 46.4244 -55.429 GPRESSURE: 2244800 -25.4604 50.1486 346.967 87.5024 173.254 111.145 234.922 85.4728 -3.4744 PRESSAVG: 2244800 89.5924 -72.5602 20.8202 -72.5602 -79.0469 -46.6626 20.8202 -46.6626 23.2379 GPRESSAVG: 2244800 88.391 -69.648 19.7547 -74.5937 -77.9818 -47.7079 21.067 -45.0082 23.6831 TIMING: 2244800 CPU: 7167.3, 0.00314687/step Wall: 7167.3, 0.00314687/step, 2.4084 hours remaining, 241.187500 MB of memory in use. ENERGY: 2244800 3931.8828 20531.0012 14503.7649 232.9988 -202984.7684 2587.2718 0.0000 0.0000 52104.9947 -109092.8542 299.4481 -161197.8489 -108724.1823 300.1494 24.8493 48.1063 761675.8534 11.2611 11.3641 PRESSURE: 2245000 -34.5484 -17.2552 178.718 -17.2562 -226.58 -14.0589 178.718 -14.0576 232.722 GPRESSURE: 2245000 9.20684 -84.5047 211.905 -23.6204 -179.819 16.3599 138.728 -33.5656 212.735 PRESSAVG: 2245000 20.2614 -61.3312 36.5193 -61.3312 -31.8983 -56.9733 36.5192 -56.9733 -4.26632 GPRESSAVG: 2245000 20.0876 -64.8617 35.2088 -57.943 -30.974 -55.7766 39.1707 -58.5403 -5.02619 TIMING: 2245000 CPU: 7167.93, 0.0031566/step Wall: 7167.93, 0.0031566/step, 2.41567 hours remaining, 241.187500 MB of memory in use. ENERGY: 2245000 3984.9542 20477.8699 14487.5437 230.0612 -203258.6635 2699.3451 0.0000 0.0000 52180.6074 -109198.2819 299.8827 -161378.8894 -108837.7942 300.0035 -9.4689 14.0411 761578.4007 -5.3011 -5.3042 PRESSURE: 2245200 126.549 -105.324 9.61262 -105.325 215.769 -20.243 9.61251 -20.2425 251.482 GPRESSURE: 2245200 221.718 -42.5089 43.201 -125.106 151.704 -7.19063 41.2425 143.998 271.131 PRESSAVG: 2245200 -15.0702 -84.4383 31.8381 -84.4383 -4.26241 -26.5327 31.838 -26.5327 -10.4356 GPRESSAVG: 2245200 -14.1153 -80.6307 32.3 -87.8582 -5.39803 -28.874 29.1431 -24.4211 -9.9775 TIMING: 2245200 CPU: 7168.56, 0.00315116/step Wall: 7168.56, 0.00315116/step, 2.41134 hours remaining, 241.187500 MB of memory in use. ENERGY: 2245200 3931.1259 20656.3938 14517.4196 243.7959 -203122.3312 2404.3727 0.0000 0.0000 51969.7375 -109399.4859 298.6708 -161369.2234 -109033.0478 299.7013 197.9330 214.8511 761675.7662 -9.9227 -9.8303 PRESSURE: 2245400 184.833 -90.3856 -138.222 -90.3846 308.541 -81.2564 -138.223 -81.2571 -52.9901 GPRESSURE: 2245400 316.149 -58.3611 -212.871 -110.459 227.588 -16.5734 -83.8445 -162.328 -4.65238 PRESSAVG: 2245400 64.7828 -32.5606 -37.3523 -32.5605 -74.3964 39.2171 -37.3523 39.2171 14.5792 GPRESSAVG: 2245400 64.215 -31.5627 -36.1044 -32.076 -74.1679 40.556 -36.7452 36.8644 15.1573 TIMING: 2245400 CPU: 7169.19, 0.00314238/step Wall: 7169.19, 0.00314238/step, 2.40445 hours remaining, 241.187500 MB of memory in use. ENERGY: 2245400 3929.0986 20587.2847 14523.4313 255.4440 -203144.4757 2592.6071 0.0000 0.0000 51815.1941 -109441.4159 297.7826 -161256.6101 -109078.0858 299.0609 146.7947 179.6948 761181.1645 1.6552 1.7348 PRESSURE: 2245600 51.0016 -126.547 -20.5534 -126.546 -114.064 -113.875 -20.5542 -113.874 -52.8685 GPRESSURE: 2245600 37.7204 -99.4909 39.6699 42.8406 22.7956 -97.3639 -67.0427 -128.781 -102.198 PRESSAVG: 2245600 -23.3194 -32.0078 -70.2945 -32.0078 -18.6375 -20.692 -70.2945 -20.6919 -9.03917 GPRESSAVG: 2245600 -23.4027 -34.619 -70.3766 -29.4698 -17.171 -18.5061 -69.3555 -20.6628 -10.5111 TIMING: 2245600 CPU: 7169.81, 0.00313951/step Wall: 7169.81, 0.00313951/step, 2.40207 hours remaining, 241.187500 MB of memory in use. ENERGY: 2245600 4050.2217 20472.4548 14517.2130 248.1875 -203494.5439 2641.9679 0.0000 0.0000 52200.9986 -109363.5003 299.9999 -161564.4989 -109003.7710 299.1833 -38.6438 -13.8941 761297.1735 -16.9987 -17.0282 PRESSURE: 2245800 -139.458 -207.466 2.83216 -207.467 44.3566 121.612 2.83232 121.612 45.3726 GPRESSURE: 2245800 -24.6106 -154.136 14.3282 -221.459 12.1771 97.893 178.911 120.902 14.5042 PRESSAVG: 2245800 14.1548 -73.3376 3.16221 -73.3376 -0.680977 -1.05709 3.16218 -1.05715 -14.6473 GPRESSAVG: 2245800 13.992 -73.4239 3.36501 -74.8077 -1.54352 -1.29327 3.41798 -1.62663 -13.3196 TIMING: 2245800 CPU: 7170.44, 0.00313835/step Wall: 7170.44, 0.00313835/step, 2.40101 hours remaining, 241.187500 MB of memory in use. ENERGY: 2245800 4009.7402 20451.2409 14463.7648 241.6627 -203637.2406 2672.9007 0.0000 0.0000 52026.9871 -109770.9442 298.9998 -161797.9313 -109420.4317 299.4766 -16.5764 0.6902 761890.4494 -0.3912 -0.2904 PRESSURE: 2246000 260.691 20.74 -43.6407 20.7406 100.361 3.50816 -43.6405 3.50775 451.042 GPRESSURE: 2246000 291.477 -86.6858 -18.8033 -42.6625 250.123 30.4596 -32.3623 -8.9434 353.207 PRESSAVG: 2246000 2.19904 -16.2484 17.7911 -16.2485 48.5482 -0.226256 17.7912 -0.226198 -5.25171 GPRESSAVG: 2246000 3.19185 -14.2915 17.2063 -15.5644 48.9246 -2.07896 16.2591 0.311011 -6.52968 TIMING: 2246000 CPU: 7171.07, 0.00312872/step Wall: 7171.07, 0.00312872/step, 2.39347 hours remaining, 241.187500 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: 2246000 3988.9546 20477.9318 14392.6221 239.1212 -203403.1615 2599.0987 0.0000 0.0000 51951.1929 -109754.2403 298.5642 -161705.4331 -109384.6516 298.6005 270.6979 298.2690 761767.1038 15.1652 15.1956 PRESSURE: 2246200 127.385 -33.1227 -83.6097 -33.1236 203.265 83.852 -83.609 83.8529 334.977 GPRESSURE: 2246200 158.424 -102.68 -62.0984 -105.993 296.319 -34.4978 -78.3295 11.472 301.708 PRESSAVG: 2246200 32.2965 -15.5227 6.37175 -15.5227 -67.9865 -0.700128 6.37173 -0.700088 -12.8124 GPRESSAVG: 2246200 31.2514 -16.474 7.5467 -16.3826 -67.9402 0.228096 6.10633 0.643521 -12.1004 TIMING: 2246200 CPU: 7171.69, 0.00312856/step Wall: 7171.69, 0.00312856/step, 2.39318 hours remaining, 241.187500 MB of memory in use. ENERGY: 2246200 3977.3460 20618.6985 14449.9809 241.5943 -203518.3268 2830.9143 0.0000 0.0000 51811.5017 -109588.2912 297.7614 -161399.7929 -109234.8395 298.9864 221.8754 252.1507 760042.5491 -16.1674 -16.2631 PRESSURE: 2246400 33.1115 -30.1886 -17.2922 -30.1876 77.7649 -193.919 -17.2925 -193.919 -539.392 GPRESSURE: 2246400 22.6514 -96.9462 111.208 1.36653 -12.6775 -165.055 -17.3749 -249.107 -358.001 PRESSAVG: 2246400 -30.0276 -41.5939 25.3714 -41.5939 76.7106 -55.099 25.3714 -55.0989 -7.18746 GPRESSAVG: 2246400 -28.5655 -42.7594 23.7176 -42.6119 75.8579 -54.6274 26.2525 -57.1694 -7.88199 TIMING: 2246400 CPU: 7172.32, 0.00313849/step Wall: 7172.32, 0.00313849/step, 2.4006 hours remaining, 241.187500 MB of memory in use. ENERGY: 2246400 4066.5075 20426.2195 14408.8757 246.3374 -203799.8221 2824.4834 0.0000 0.0000 52127.9848 -109699.4139 299.5802 -161827.3987 -109337.6911 299.2236 -142.8384 -116.0090 761428.2192 13.1652 13.1368 PRESSURE: 2246600 -117.832 51.5186 77.0871 51.5173 236.894 -141.666 77.087 -141.668 -212.182 GPRESSURE: 2246600 -119.899 99.6801 23.0437 36.4329 277.589 -173.929 -30.0337 -253.097 -172.089 PRESSAVG: 2246600 18.1213 -1.11785 -3.93406 -1.11789 -30.6417 -42.4486 -3.93405 -42.4487 8.06724 GPRESSAVG: 2246600 18.735 -0.537148 -2.47208 1.80915 -31.0623 -43.927 -4.93663 -40.7086 8.20537 TIMING: 2246600 CPU: 7172.95, 0.00315957/step Wall: 7172.95, 0.00315957/step, 2.41654 hours remaining, 241.187500 MB of memory in use. ENERGY: 2246600 4033.1021 20595.9462 14423.0007 257.7534 -203442.8546 2441.2985 0.0000 0.0000 51976.7301 -109715.0236 298.7110 -161691.7537 -109348.3276 298.5335 -31.0399 -4.7993 760694.1566 -1.4844 -1.3740 PRESSURE: 2246800 284.925 75.9614 60.2307 75.9611 111.74 21.3054 60.2306 21.3047 566.98 GPRESSURE: 2246800 187.358 -5.11611 30.9227 124.68 284.88 -54.1713 55.7612 -8.36146 575.927 PRESSAVG: 2246800 -36.5033 -19.4916 -46.4744 -19.4916 74.5304 -36.6544 -46.4744 -36.6544 2.23957 GPRESSAVG: 2246800 -38.1214 -20.7257 -45.6317 -20.6057 76.2338 -37.4481 -46.4304 -35.1283 1.96642 TIMING: 2246800 CPU: 7173.58, 0.00315664/step Wall: 7173.58, 0.00315664/step, 2.41413 hours remaining, 241.187500 MB of memory in use. ENERGY: 2246800 3910.0750 20593.0689 14446.5315 236.5919 -203780.0915 2700.2501 0.0000 0.0000 52078.5228 -109815.0513 299.2960 -161893.5741 -109456.2899 298.8257 321.2152 349.3883 759172.9432 13.4222 13.3596 PRESSURE: 2247000 -79.9216 -82.092 -118.503 -82.0934 95.1164 16.8285 -118.502 16.8296 35.1804 GPRESSURE: 2247000 -30.8209 -36.4421 -64.3462 -81.4272 151.707 38.7112 -47.0944 39.2202 29.6971 PRESSAVG: 2247000 38.1081 -21.4839 1.23203 -21.4839 -39.803 16.6911 1.23203 16.6913 -2.92892 GPRESSAVG: 2247000 38.2909 -19.7418 1.77623 -23.9346 -40.3741 18.5147 1.0976 13.9359 -2.64438 TIMING: 2247000 CPU: 7174.22, 0.00318156/step Wall: 7174.22, 0.00318156/step, 2.43301 hours remaining, 241.187500 MB of memory in use. ENERGY: 2247000 4018.9482 20731.4542 14507.7062 233.8505 -204044.0713 2863.1253 0.0000 0.0000 52028.5793 -109660.4075 299.0090 -161688.9868 -109303.0143 299.3586 16.7918 50.1943 759665.3356 -1.5413 -1.5759 PRESSURE: 2247200 -134.629 133.33 78.4481 133.33 -193.736 46.2218 78.4483 46.2223 -147.918 GPRESSURE: 2247200 -54.2154 131.711 56.6599 176.059 -159.27 45.9303 117.102 -100.922 -171.076 PRESSAVG: 2247200 -8.06035 -7.2869 11.5543 -7.28688 41.6247 -19.7503 11.5543 -19.7503 -11.6238 GPRESSAVG: 2247200 -6.82501 -7.24649 9.72775 -5.96376 40.0053 -20.3798 10.7877 -16.6518 -11.4417 TIMING: 2247200 CPU: 7174.85, 0.00315404/step Wall: 7174.85, 0.00315404/step, 2.41179 hours remaining, 241.187500 MB of memory in use. ENERGY: 2247200 3999.4911 20614.4237 14452.9470 266.5541 -203493.6407 2426.5850 0.0000 0.0000 52106.0762 -109627.5635 299.4543 -161733.6397 -109260.3887 299.2041 -158.7610 -128.1870 759811.9472 7.3135 7.2462 PRESSURE: 2247400 -41.3356 135.313 6.76192 135.313 33.5819 -331.391 6.76176 -331.39 -172.125 GPRESSURE: 2247400 31.7332 87.29 10.6548 147.878 1.42899 -328.702 -38.1967 -370.685 -130.3 PRESSAVG: 2247400 65.9003 -75.7486 2.3175 -75.7486 -33.2815 -51.97 2.31754 -51.9699 14.8501 GPRESSAVG: 2247400 66.0073 -78.035 1.97404 -74.1792 -33.1604 -52.0729 3.1136 -54.808 14.8084 TIMING: 2247400 CPU: 7175.48, 0.00313595/step Wall: 7175.48, 0.00313595/step, 2.39778 hours remaining, 241.187500 MB of memory in use. ENERGY: 2247400 4022.6649 20562.5769 14427.0374 252.0888 -203721.4325 2607.5403 0.0000 0.0000 52205.7748 -109643.7493 300.0273 -161849.5242 -109292.2856 299.2443 -59.9596 -32.3793 758845.9111 15.8230 15.8851 PRESSURE: 2247600 46.6621 -82.4945 107.708 -82.4948 -60.4315 -59.6054 107.708 -59.6059 156.227 GPRESSURE: 2247600 117.404 -131.667 91.0423 -62.5598 -27.2222 -19.2273 38.0534 -87.579 133.41 PRESSAVG: 2247600 35.7936 -36.0177 11.3331 -36.0177 -65.2315 1.23282 11.3331 1.23285 -10.647 GPRESSAVG: 2247600 35.6052 -36.3833 10.4365 -36.9032 -64.9794 1.50556 10.7059 2.70146 -10.6107 TIMING: 2247600 CPU: 7176.11, 0.00317516/step Wall: 7176.11, 0.00317516/step, 2.42758 hours remaining, 241.187500 MB of memory in use. ENERGY: 2247600 3983.2619 20629.8586 14451.0177 260.3531 -203756.0416 2732.8153 0.0000 0.0000 52003.1075 -109695.6274 298.8626 -161698.7349 -109321.9245 299.1473 47.4857 74.5303 761185.5242 -13.3616 -13.3283 PRESSURE: 2247800 -144.043 59.0879 14.7736 59.0888 -345.841 151.438 14.7743 151.438 160.336 GPRESSURE: 2247800 -122.804 93.7051 -78.9628 32.8073 -319.675 -15.5922 69.1387 91.5086 202.286 PRESSAVG: 2247800 29.6119 8.83819 -9.51505 8.83819 -32.93 -52.6878 -9.51502 -52.6878 -5.70302 GPRESSAVG: 2247800 29.3663 10.1729 -8.27767 8.39247 -32.861 -52.2352 -10.0409 -52.0731 -5.17262 TIMING: 2247800 CPU: 7176.74, 0.00314956/step Wall: 7176.74, 0.00314956/step, 2.40784 hours remaining, 241.187500 MB of memory in use. ENERGY: 2247800 3951.6512 20677.8795 14503.2583 256.2046 -203364.4349 2412.6288 0.0000 0.0000 51914.1558 -109648.6567 298.3514 -161562.8125 -109287.2851 299.4682 -109.8493 -80.0646 761678.6992 -3.0070 -2.8891 PRESSURE: 2248000 56.905 116.061 -100.799 116.061 97.9947 -130.405 -100.8 -130.406 -112.787 GPRESSURE: 2248000 124.868 40.4637 -143.443 38.4029 109.669 -170.132 -7.75456 -116.976 -119.882 PRESSAVG: 2248000 23.4532 -33.1487 4.06952 -33.1487 -12.7088 49.3722 4.06942 49.3723 14.1132 GPRESSAVG: 2248000 23.5722 -33.8666 2.93906 -33.1472 -14.2441 49.3718 5.81637 48.3241 15.2324 TIMING: 2248000 CPU: 7177.37, 0.00314521/step Wall: 7177.37, 0.00314521/step, 2.40434 hours remaining, 241.187500 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: 2248000 3962.9787 20685.9288 14458.7804 250.0696 -203709.7836 2648.8956 0.0000 0.0000 51956.7206 -109746.4099 298.5960 -161703.1305 -109387.2222 298.9689 14.0377 38.2186 759990.6152 8.2859 8.1868 PRESSURE: 2248200 -242.251 -133.029 -161.149 -133.029 -220.851 -117.704 -161.149 -117.703 -352.789 GPRESSURE: 2248200 -137.545 -89.0737 -59.7952 -21.1468 -132.005 -165.125 -171.964 -92.8226 -447.83 PRESSAVG: 2248200 10.1261 20.3446 -23.9285 20.3445 -8.01128 -64.8142 -23.9286 -64.8142 35.1844 GPRESSAVG: 2248200 9.48756 22.3122 -22.3452 20.8741 -5.12345 -65.6492 -23.3141 -65.2484 32.8638 TIMING: 2248200 CPU: 7178, 0.00315458/step Wall: 7178, 0.00315458/step, 2.41132 hours remaining, 241.187500 MB of memory in use. ENERGY: 2248200 3918.2447 20547.0907 14411.5054 239.4814 -203971.5581 2607.4348 0.0000 0.0000 52297.1210 -109950.6801 300.5523 -162247.8011 -109587.3457 298.5776 -271.9638 -239.1266 759627.5498 12.4331 12.4093 LDB: ============= START OF LOAD BALANCING ============== 7190.46 LDB: ============== END OF LOAD BALANCING =============== 7190.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.46 LDB: ============= START OF LOAD BALANCING ============== 7190.77 LDB: Largest compute 7076 load 0.037153 is 19.0% of average load 0.195385 LDB: Average compute 0.004383 is 2.2% of average load 0.195385 LDB: TIME 7190.78 LOAD: AVG 0.195385 MAX 0.21707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 7190.78 LOAD: AVG 0.195385 MAX 0.21707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 7190.78 LOAD: AVG 0.195385 MAX 0.21707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 7190.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.78 PRESSURE: 2248400 -191.207 150.811 33.4632 150.81 -68.5932 -51.8609 33.463 -51.8618 -480.901 GPRESSURE: 2248400 -187.91 113.795 -22.7745 56.6826 -72.948 -121.198 -151.615 -148.242 -416.544 PRESSAVG: 2248400 -5.56975 -30.6271 -52.9457 -30.6272 45.9746 8.50498 -52.9457 8.50495 14.1193 GPRESSAVG: 2248400 -5.06189 -31.8058 -52.6671 -32.0776 44.2013 7.97199 -55.1625 10.8238 15.6418 TIMING: 2248400 CPU: 7178.65, 0.00322915/step Wall: 7178.65, 0.00322915/step, 2.46815 hours remaining, 241.433594 MB of memory in use. ENERGY: 2248400 4087.4065 20428.5304 14483.1401 214.8718 -203506.2295 2487.6327 0.0000 0.0000 52068.2850 -109736.3630 299.2371 -161804.6480 -109366.4836 298.7148 -246.9007 -225.8006 760085.0324 18.1747 18.2604 PRESSURE: 2248600 233.282 -155.755 -66.5447 -155.755 -10.9589 70.1168 -66.5453 70.116 -116.505 GPRESSURE: 2248600 233.942 -266.93 -71.5056 -171.192 57.479 100.29 -69.1989 10.0629 -109.553 PRESSAVG: 2248600 -5.75537 -20.56 -4.33623 -20.56 -26.503 63.4538 -4.33623 63.4539 -19.1165 GPRESSAVG: 2248600 -6.49406 -22.0148 -6.01756 -18.9868 -25.0987 65.2322 -5.88192 60.166 -20.5418 TIMING: 2248600 CPU: 7179.28, 0.00315458/step Wall: 7179.28, 0.00315458/step, 2.41097 hours remaining, 241.503906 MB of memory in use. ENERGY: 2248600 4012.9306 20714.8123 14384.4463 246.8059 -203855.9675 2759.8544 0.0000 0.0000 52007.0325 -109730.0856 298.8851 -161737.1181 -109367.7351 298.6952 35.2726 60.6226 759778.8022 -17.1249 -17.3782 PRESSURE: 2248800 15.5167 182.835 -189.44 182.835 348.336 57.2554 -189.439 57.2559 88.4677 GPRESSURE: 2248800 124.705 130.207 -180.992 160.922 300.276 16.1105 -58.6693 33.4787 113.909 PRESSAVG: 2248800 -16.3651 -81.1336 9.54891 -81.1337 0.537606 38.2171 9.5489 38.2171 11.423 GPRESSAVG: 2248800 -15.7459 -79.9841 10.2902 -82.3202 -1.04537 39.2761 10.9047 37.33 11.6189 TIMING: 2248800 CPU: 7179.91, 0.00316105/step Wall: 7179.91, 0.00316105/step, 2.41575 hours remaining, 241.503906 MB of memory in use. ENERGY: 2248800 4013.7702 20453.4448 14431.6272 241.8371 -203573.8870 2672.2057 0.0000 0.0000 52038.4712 -109722.5307 299.0658 -161761.0020 -109363.3233 298.7810 150.7735 179.6300 759894.8390 -1.4682 -1.7241 PRESSURE: 2249000 -331.694 215.794 -44.0718 215.794 -635.202 -257.661 -44.0722 -257.66 -255.472 GPRESSURE: 2249000 -317.436 53.5316 79.4531 183.376 -540.437 -282.139 -151.964 -237.301 -278.607 PRESSAVG: 2249000 -1.08959 -12.0893 41.6395 -12.0892 -45.4359 14.3599 41.6395 14.36 -30.995 GPRESSAVG: 2249000 -0.891665 -12.3173 42.5855 -10.612 -46.1132 13.5644 41.214 17.6554 -30.4456 TIMING: 2249000 CPU: 7180.55, 0.00317306/step Wall: 7180.55, 0.00317306/step, 2.42475 hours remaining, 241.503906 MB of memory in use. ENERGY: 2249000 3978.7131 20444.2409 14472.7155 246.1039 -203251.7018 2294.3421 0.0000 0.0000 52021.5306 -109794.0557 298.9685 -161815.5863 -109436.7294 298.9823 -407.4560 -378.8267 759836.0827 -25.8402 -25.8168 PRESSURE: 2249200 -59.5117 88.7733 -27.6509 88.7723 -89.8776 46.6032 -27.6506 46.604 -220.779 GPRESSURE: 2249200 -66.3961 45.1872 -104.313 39.4634 39.5511 -32.6611 -30.2009 -57.9478 -253.271 PRESSAVG: 2249200 -19.64 -41.6055 -31.1465 -41.6055 24.6028 -26.3267 -31.1464 -26.3267 -21.1474 GPRESSAVG: 2249200 -18.5742 -40.2161 -33.8694 -42.7921 24.6041 -26.037 -30.1545 -28.4286 -22.7675 TIMING: 2249200 CPU: 7181.18, 0.00317273/step Wall: 7181.18, 0.00317273/step, 2.42431 hours remaining, 241.503906 MB of memory in use. ENERGY: 2249200 4011.5672 20482.3287 14355.1099 232.5848 -203372.6021 2526.0355 0.0000 0.0000 51932.1626 -109832.8133 298.4549 -161764.9759 -109464.7758 298.9188 -123.3895 -93.3720 759334.8116 -5.3949 -5.5792 PRESSURE: 2249400 285.791 -160.785 -48.2984 -160.785 236.919 -277.382 -48.2979 -277.384 -13.6362 GPRESSURE: 2249400 296.405 -187.041 -61.2666 -144.507 270.536 -225.795 -51.6893 -262.984 23.9067 PRESSAVG: 2249400 -37.9079 -78.3789 31.7355 -78.3789 6.14369 31.5578 31.7355 31.5578 -14.1945 GPRESSAVG: 2249400 -40.1844 -79.7592 32.1097 -78.3823 7.72824 30.3468 31.3941 32.3188 -13.4165 TIMING: 2249400 CPU: 7181.81, 0.00314995/step Wall: 7181.81, 0.00314995/step, 2.40674 hours remaining, 241.503906 MB of memory in use. ENERGY: 2249400 4031.8414 20549.3788 14377.6490 246.5399 -203671.6704 2732.4739 0.0000 0.0000 51923.0549 -109810.7327 298.4025 -161733.7875 -109453.8062 298.6815 169.6911 196.9491 759947.1080 -15.3196 -15.2909 PRESSURE: 2249600 150.426 5.83859 40.5159 5.83842 224.524 25.5774 40.5161 25.5779 378.357 GPRESSURE: 2249600 234.931 -66.2953 38.7747 -112.544 235.255 41.4399 -70.9172 11.6006 370.283 PRESSAVG: 2249600 -50.3363 -32.3579 9.35043 -32.3578 31.9614 5.70229 9.35046 5.70229 39.073 GPRESSAVG: 2249600 -49.1023 -31.8021 9.70745 -31.182 31.2508 7.94721 12.177 6.16043 38.3005 TIMING: 2249600 CPU: 7182.44, 0.00315511/step Wall: 7182.44, 0.00315511/step, 2.41051 hours remaining, 241.503906 MB of memory in use. ENERGY: 2249600 4030.2897 20592.1818 14461.7245 252.9978 -203775.2508 2591.2808 0.0000 0.0000 52057.4949 -109789.2814 299.1751 -161846.7763 -109422.5350 298.9378 251.1024 280.1563 759899.8732 6.8994 6.8163 PRESSURE: 2249800 -179.724 44.5849 -115.199 44.5846 -24.6195 -174.235 -115.198 -174.236 -48.2918 GPRESSURE: 2249800 -141.404 9.3267 -119.828 63.2862 -57.6134 -110.721 -158.725 -183.692 11.5154 PRESSAVG: 2249800 -74.7515 -53.5297 -45.9113 -53.5297 34.5485 2.38732 -45.9114 2.38729 -0.703763 GPRESSAVG: 2249800 -75.6173 -51.3562 -45.4457 -54.0666 35.0241 1.03474 -47.4225 3.11196 -0.577678 TIMING: 2249800 CPU: 7183.07, 0.00315761/step Wall: 7183.07, 0.00315761/step, 2.41224 hours remaining, 241.503906 MB of memory in use. ENERGY: 2249800 4005.1328 20461.4387 14487.3455 258.1502 -203385.2492 2478.6632 0.0000 0.0000 51992.1812 -109702.3377 298.7998 -161694.5189 -109336.7025 298.8090 -84.2118 -62.5008 759113.8059 -13.6356 -13.7236 PRESSURE: 2250000 99.3519 59.5266 -6.50104 59.5267 -17.8439 -52.1451 -6.50097 -52.1455 574.196 GPRESSURE: 2250000 139.868 12.133 -35.6579 10.6515 42.3231 47.824 52.6547 -104.386 544.605 PRESSAVG: 2250000 16.2572 -9.76152 2.9497 -9.76153 -9.81361 -6.75186 2.94975 -6.75187 -19.6988 GPRESSAVG: 2250000 16.7564 -9.94284 3.52112 -10.7683 -11.2151 -7.17538 2.36808 -7.70922 -18.9965 TIMING: 2250000 CPU: 7183.7, 0.00314755/step Wall: 7183.7, 0.00314755/step, 2.40438 hours remaining, 241.503906 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: 2250000 4132.2241 20558.8467 14368.7846 241.2554 -204123.1340 2955.0813 0.0000 0.0000 52138.3714 -109728.5707 299.6399 -161866.9421 -109367.7093 299.4632 218.5679 242.2653 760345.6446 -4.4184 -4.4851 PRESSURE: 2250200 -64.8583 -37.0785 51.1853 -37.0788 -498.169 -140.779 51.1846 -140.78 -113.91 GPRESSURE: 2250200 47.4197 -137.536 99.9204 12.8069 -530.237 -109.302 -70.3121 -156.783 -127.041 PRESSAVG: 2250200 2.4331 -37.8512 -1.21832 -37.8512 1.35104 -28.3208 -1.2183 -28.3207 2.83222 GPRESSAVG: 2250200 2.11248 -39.5708 -2.10437 -36.2631 2.16824 -27.6948 -0.624087 -25.4424 2.22676 TIMING: 2250200 CPU: 7184.33, 0.00314139/step Wall: 7184.33, 0.00314139/step, 2.3995 hours remaining, 241.503906 MB of memory in use. ENERGY: 2250200 4059.4986 20390.3394 14437.8220 246.8789 -203812.7713 2627.9658 0.0000 0.0000 52206.5641 -109843.7025 300.0318 -162050.2666 -109482.3763 298.8066 -225.6457 -203.2859 760215.5420 2.2055 2.1692 PRESSURE: 2250400 475.973 -140.327 215.058 -140.327 276.371 135.551 215.058 135.551 110.938 GPRESSURE: 2250400 506.247 -99.7175 274.448 -85.2042 384.271 72.7083 259.439 156.963 60.6072 PRESSAVG: 2250400 43.224 -36.3596 26.7384 -36.3596 -5.92634 -22.1056 26.7384 -22.1055 -9.80263 GPRESSAVG: 2250400 42.4438 -34.9832 25.8322 -37.8171 -4.40148 -22.0408 26.7215 -24.6885 -10.0458 TIMING: 2250400 CPU: 7184.96, 0.00314931/step Wall: 7184.96, 0.00314931/step, 2.40537 hours remaining, 241.503906 MB of memory in use. ENERGY: 2250400 3921.9037 20356.9201 14382.7056 253.4125 -203440.2957 2659.9510 0.0000 0.0000 52076.2613 -109789.1414 299.2830 -161865.4027 -109424.7502 298.5354 287.7607 317.0419 759677.2978 9.1650 9.3322 PRESSURE: 2250600 -331.643 136.368 285.473 136.369 162.59 -55.2255 285.474 -55.2268 122.112 GPRESSURE: 2250600 -218.166 156.653 321.775 73.9467 198.764 -38.0773 340.517 15.6041 57.881 PRESSAVG: 2250600 28.8048 -47.4406 -15.4731 -47.4406 -55.7367 -24.6015 -15.4731 -24.6015 -8.88319 GPRESSAVG: 2250600 30.0648 -48.1161 -15.5783 -47.2138 -57.0196 -23.8513 -15.2141 -25.7805 -8.28252 TIMING: 2250600 CPU: 7185.59, 0.00315896/step Wall: 7185.59, 0.00315896/step, 2.41257 hours remaining, 241.503906 MB of memory in use. ENERGY: 2250600 3904.0264 20354.9082 14473.7984 251.5519 -203052.5027 2307.7536 0.0000 0.0000 52039.1837 -109721.2804 299.0699 -161760.4641 -109345.7779 298.9669 -15.6470 12.8262 761137.6151 -11.9384 -11.7458 PRESSURE: 2250800 -127.803 12.8991 -57.3685 12.8987 165.403 -93.3011 -57.3681 -93.3009 -207.934 GPRESSURE: 2250800 -39.4603 53.1302 21.1954 25.9659 195.115 -120.441 -144.086 -39.952 -243.055 PRESSAVG: 2250800 -11.9924 -20.8447 37.857 -20.8448 39.4325 -2.4867 37.857 -2.48673 -8.18886 GPRESSAVG: 2250800 -11.7131 -19.9813 39.5997 -22.3721 39.0138 -2.22776 36.3998 -0.223054 -8.95338 TIMING: 2250800 CPU: 7186.22, 0.0031504/step Wall: 7186.22, 0.0031504/step, 2.40585 hours remaining, 241.503906 MB of memory in use. ENERGY: 2250800 4029.2715 20439.1347 14455.4983 228.9403 -203379.8879 2376.6759 0.0000 0.0000 51911.8939 -109938.4733 298.3384 -161850.3672 -109567.2814 298.6163 -56.7779 -29.1334 760397.9791 6.4171 6.1158 PRESSURE: 2251000 -185.973 -41.6396 -78.4811 -41.6395 153.329 6.40089 -78.4806 6.40146 -70.488 GPRESSURE: 2251000 -151.885 -57.5067 -51.9521 28.1078 178.031 44.8881 -11.5593 -45.8572 -30.8529 PRESSAVG: 2251000 -52.3779 -21.035 -62.3989 -21.035 55.262 7.47326 -62.399 7.4732 3.39991 GPRESSAVG: 2251000 -51.4637 -21.7261 -65.3983 -18.1952 54.8868 7.3685 -62.1665 5.84049 3.11665 TIMING: 2251000 CPU: 7186.85, 0.00315519/step Wall: 7186.85, 0.00315519/step, 2.40934 hours remaining, 241.503906 MB of memory in use. ENERGY: 2251000 3918.6040 20412.7979 14470.2823 228.1950 -203394.6314 2460.9976 0.0000 0.0000 52044.3873 -109859.3674 299.0998 -161903.7546 -109493.4748 298.1664 -34.3771 -1.5690 759043.5969 2.0947 2.1799 PRESSURE: 2251200 -255.433 22.3552 -295.557 22.3553 -339.489 -89.5141 -295.557 -89.5135 300.688 GPRESSURE: 2251200 -246.629 -9.23046 -245.39 80.9138 -234.051 -35.6112 -287.288 -44.7712 263.93 PRESSAVG: 2251200 -0.2684 -29.6304 -13.2461 -29.6304 5.59401 -30.1176 -13.2461 -30.1176 -3.0397 GPRESSAVG: 2251200 -1.22072 -28.6312 -11.6602 -30.9796 5.86224 -31.2792 -13.3394 -29.9598 -2.83042 TIMING: 2251200 CPU: 7187.49, 0.00316169/step Wall: 7187.49, 0.00316169/step, 2.41413 hours remaining, 241.503906 MB of memory in use. ENERGY: 2251200 3969.9561 20588.4704 14503.8787 256.7344 -203324.7859 2252.7397 0.0000 0.0000 51813.9725 -109939.0341 297.7756 -161753.0066 -109583.3470 298.1691 -98.0783 -72.2502 760183.9217 0.7620 0.6037 PRESSURE: 2251400 -165.752 66.7427 51.0293 66.7415 -186.168 109.207 51.0291 109.206 -20.5881 GPRESSURE: 2251400 -59.62 160.847 163.561 0.481052 -212.437 70.8198 -50.9315 8.23639 -17.6663 PRESSAVG: 2251400 -39.5174 -45.2395 -10.7751 -45.2395 -8.49023 -29.1633 -10.7751 -29.1634 -5.9944 GPRESSAVG: 2251400 -39.8356 -44.8124 -12.2415 -45.7262 -8.64549 -29.1197 -10.7134 -30.1955 -5.63672 TIMING: 2251400 CPU: 7188.12, 0.00315335/step Wall: 7188.12, 0.00315335/step, 2.40758 hours remaining, 241.503906 MB of memory in use. ENERGY: 2251400 4039.7526 20463.2334 14435.2454 247.9405 -202954.2767 2093.6893 0.0000 0.0000 51896.6845 -109777.7310 298.2510 -161674.4155 -109425.5836 298.5905 -124.1691 -96.5745 761054.2161 -18.0007 -18.0393 PRESSURE: 2251600 535.954 322.347 -89.4046 322.346 -122.987 125.474 -89.4042 125.475 106.956 GPRESSURE: 2251600 587.242 271.129 10.0164 224.528 -111.533 34.135 -181.858 207.346 141.412 PRESSAVG: 2251600 38.8362 -21.6751 -4.60805 -21.6752 9.50667 -20.7836 -4.60803 -20.7836 6.29908 GPRESSAVG: 2251600 39.3181 -22.8448 -2.47035 -19.5693 8.83009 -20.1178 -6.40178 -18.2187 6.40818 TIMING: 2251600 CPU: 7188.75, 0.00315657/step Wall: 7188.75, 0.00315657/step, 2.40986 hours remaining, 241.503906 MB of memory in use. ENERGY: 2251600 3955.8405 20507.4924 14403.7696 261.6844 -203320.8978 2459.9263 0.0000 0.0000 51997.7139 -109734.4706 298.8316 -161732.1846 -109385.7449 298.9511 173.3075 205.7071 760061.8260 18.2140 18.1855 PRESSURE: 2251800 32.2106 30.3745 87.9132 30.3743 -118.665 181.806 87.9137 181.806 -44.399 GPRESSURE: 2251800 0.708885 0.387876 18.7442 -131.67 -13.8394 185.579 126.967 175.641 -40.1932 PRESSAVG: 2251800 16.9673 -33.3446 -38.3013 -33.3446 -44.6677 -27.5018 -38.3013 -27.5018 -15.3768 GPRESSAVG: 2251800 16.1059 -31.6271 -39.1603 -34.6735 -43.5289 -27.5761 -35.2281 -28.6916 -16.1345 TIMING: 2251800 CPU: 7189.38, 0.00316168/step Wall: 7189.38, 0.00316168/step, 2.41359 hours remaining, 241.503906 MB of memory in use. ENERGY: 2251800 3969.1963 20456.0123 14465.9567 240.5617 -203194.3230 2336.7849 0.0000 0.0000 52034.1193 -109691.6919 299.0408 -161725.8112 -109334.4944 298.6204 -43.6179 -17.7746 761093.9099 -14.3591 -14.5192 PRESSURE: 2252000 401.594 -314.372 -98.539 -314.372 174.409 76.7818 -98.5388 76.7811 471.94 GPRESSURE: 2252000 439.521 -278.583 -91.5302 -303.127 177.45 74.4812 -206.587 58.6012 521.725 PRESSAVG: 2252000 24.1682 -103.882 8.12908 -103.882 -22.7626 -8.68969 8.12911 -8.68971 -4.51903 GPRESSAVG: 2252000 24.8776 -103.308 6.96361 -103.818 -22.7929 -6.89146 5.98687 -8.86465 -4.88655 TIMING: 2252000 CPU: 7190.01, 0.00316328/step Wall: 7190.01, 0.00316328/step, 2.41464 hours remaining, 241.503906 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: 2252000 3946.1564 20544.2320 14443.6452 230.6907 -204136.4470 3034.6412 0.0000 0.0000 52087.1044 -109849.9772 299.3453 -161937.0815 -109493.1296 298.2517 349.3142 379.5654 759495.0958 -1.0378 -0.9340 PRESSURE: 2252200 14.7182 -175.987 -239.8 -175.987 -48.9244 -112.198 -239.8 -112.198 217.794 GPRESSURE: 2252200 55.1117 -211.547 -149.053 -127.868 -18.1699 -137.959 -221.559 -89.7947 241.822 PRESSAVG: 2252200 32.7939 -95.2416 10.6399 -95.2416 -67.8884 -5.18564 10.6399 -5.18564 7.53337 GPRESSAVG: 2252200 33.7813 -98.472 12.3461 -94.2815 -69.6734 -5.9402 11.5119 -5.05639 7.83566 TIMING: 2252200 CPU: 7190.64, 0.00314354/step Wall: 7190.64, 0.00314354/step, 2.3994 hours remaining, 241.503906 MB of memory in use. ENERGY: 2252200 3920.2351 20278.2092 14493.3989 254.1320 -203420.3778 2620.0518 0.0000 0.0000 52084.4198 -109769.9311 299.3299 -161854.3508 -109404.4388 298.3139 61.1958 92.9212 763376.0765 -9.1871 -9.3521 LDB: ============= START OF LOAD BALANCING ============== 7203.09 LDB: ============== END OF LOAD BALANCING =============== 7203.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7203.09 LDB: ============= START OF LOAD BALANCING ============== 7203.41 LDB: Largest compute 7076 load 0.036624 is 18.8% of average load 0.195292 LDB: Average compute 0.004395 is 2.3% of average load 0.195292 LDB: TIME 7203.41 LOAD: AVG 0.195292 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.617 MB LDB: TIME 7203.41 LOAD: AVG 0.195292 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.82 MB LDB: TIME 7203.41 LOAD: AVG 0.195292 MAX 0.215803 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.82 MB LDB: ============== END OF LOAD BALANCING =============== 7203.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7203.42 PRESSURE: 2252400 81.3595 137.351 122.001 137.351 14.5579 -64.2364 122.001 -64.2368 -9.58637 GPRESSURE: 2252400 99.9061 7.97296 84.4003 98.9331 40.497 -92.0655 94.409 -68.8735 11.6368 PRESSAVG: 2252400 -24.9522 -104.298 29.4775 -104.298 -19.9612 -4.31415 29.4775 -4.31413 11.6068 GPRESSAVG: 2252400 -26.5047 -101.573 27.7912 -106.297 -18.9654 -4.76069 30.1419 -3.48326 11.8665 TIMING: 2252400 CPU: 7191.28, 0.00320433/step Wall: 7191.28, 0.00320433/step, 2.44562 hours remaining, 239.621094 MB of memory in use. ENERGY: 2252400 3929.3350 20410.6011 14381.5796 259.5173 -203204.1156 2499.5935 0.0000 0.0000 51955.6983 -109767.7908 298.5901 -161723.4891 -109414.3800 298.3632 28.7770 50.6800 761525.7988 -11.1022 -11.2012 PRESSURE: 2252600 -45.7618 -67.7289 -58.2625 -67.729 29.7553 -76.818 -58.2619 -76.8177 358.26 GPRESSURE: 2252600 -44.7744 25.5351 -110.744 -60.1043 117.913 -80.5746 -111.971 -84.4345 361.127 PRESSAVG: 2252600 27.8318 -88.3646 -25.5097 -88.3646 0.539814 22.2047 -25.5097 22.2048 -1.40967 GPRESSAVG: 2252600 27.7487 -89.6977 -26.0819 -87.6384 -0.233207 21.7064 -26.9345 22.6055 -0.375341 TIMING: 2252600 CPU: 7191.91, 0.00316118/step Wall: 7191.91, 0.00316118/step, 2.41251 hours remaining, 239.824219 MB of memory in use. ENERGY: 2252600 3977.3255 20360.6674 14452.4229 238.0172 -202839.1592 2266.3682 0.0000 0.0000 51950.8309 -109593.5271 298.5621 -161544.3580 -109230.0702 298.6967 114.0847 144.7552 761252.5164 8.9873 9.0467 PRESSURE: 2252800 -391.584 106.804 -323.595 106.803 -493.655 -5.41365 -323.595 -5.41246 119.503 GPRESSURE: 2252800 -399.407 -44.6875 -287.233 163.923 -391.727 -39.9848 -299.94 -125.092 114.824 PRESSAVG: 2252800 41.3894 -32.7479 -18.7072 -32.748 -7.6682 -27.2091 -18.7073 -27.2091 1.31792 GPRESSAVG: 2252800 41.7388 -33.1734 -17.7705 -32.1925 -7.70951 -26.7474 -18.2974 -29.0433 1.62266 TIMING: 2252800 CPU: 7192.55, 0.0031549/step Wall: 7192.55, 0.0031549/step, 2.40754 hours remaining, 239.824219 MB of memory in use. ENERGY: 2252800 3979.3399 20547.8700 14405.2718 250.9009 -203190.7952 2203.7202 0.0000 0.0000 51948.0622 -109855.6303 298.5462 -161803.6924 -109497.1965 298.7012 -255.2453 -225.4366 761784.7350 11.6797 11.8840 PRESSURE: 2253000 108.204 127.683 -151.422 127.682 103.715 31.9736 -151.422 31.9737 -133.481 GPRESSURE: 2253000 159.147 89.4015 -113.322 -29.1676 89.4061 -35.7977 -120.605 -70.0928 -84.8835 PRESSAVG: 2253000 28.0798 -46.0966 -5.24782 -46.0966 -41.2577 -82.6189 -5.24777 -82.6189 -5.30838 GPRESSAVG: 2253000 28.326 -45.5599 -3.43412 -46.9499 -40.3579 -82.6865 -5.49628 -81.6357 -6.42459 TIMING: 2253000 CPU: 7193.17, 0.00313897/step Wall: 7193.17, 0.00313897/step, 2.39521 hours remaining, 239.824219 MB of memory in use. ENERGY: 2253000 3974.9810 20428.7866 14403.7236 264.0768 -203381.8446 2506.2318 0.0000 0.0000 52025.0287 -109779.0160 298.9886 -161804.0447 -109413.6868 298.6833 26.1464 54.5564 759657.9000 -6.1621 -6.1522 PRESSURE: 2253200 129.685 -320.408 54.4721 -320.407 -50.5904 -309.164 54.4713 -309.164 -171.278 GPRESSURE: 2253200 77.2105 -297.222 35.9353 -179.166 136.779 -222.228 -10.7335 -262.232 -222.577 PRESSAVG: 2253200 12.5909 -38.918 58.2705 -38.9179 -26.7266 -39.0471 58.2705 -39.0471 -4.33781 GPRESSAVG: 2253200 11.5926 -38.4752 56.0877 -38.7429 -26.0019 -38.2232 60.6013 -40.7395 -3.91025 TIMING: 2253200 CPU: 7193.81, 0.00318351/step Wall: 7193.81, 0.00318351/step, 2.42902 hours remaining, 239.824219 MB of memory in use. ENERGY: 2253200 3947.1159 20476.1745 14404.7839 237.4480 -203098.4611 2434.4585 0.0000 0.0000 51864.4137 -109734.0665 298.0655 -161598.4803 -109364.7164 298.9819 -30.7276 -2.8624 759546.2513 -6.1578 -6.1065 PRESSURE: 2253400 -2.84269 -38.2041 -50.6169 -38.2038 113.928 85.8219 -50.6155 85.823 -130.026 GPRESSURE: 2253400 34.4348 -61.6518 -172.591 -115.102 72.7961 172.389 14.2846 -25.6449 -46.1448 PRESSAVG: 2253400 27.8401 -0.574113 35.3032 -0.57417 -2.30683 2.32168 35.3032 2.32166 13.1984 GPRESSAVG: 2253400 28.8448 -0.473169 35.815 -1.2873 -4.62583 1.71732 32.9855 4.56544 13.92 TIMING: 2253400 CPU: 7194.44, 0.00315631/step Wall: 7194.44, 0.00315631/step, 2.40809 hours remaining, 239.824219 MB of memory in use. ENERGY: 2253400 4066.9188 20393.8919 14488.9738 250.2899 -203330.2696 2571.6414 0.0000 0.0000 51966.3418 -109592.2120 298.6513 -161558.5538 -109241.3213 298.9821 -6.3136 20.3620 760426.2200 12.9106 12.7130 PRESSURE: 2253600 7.34354 -54.1625 1.21736 -54.1617 -366.347 99.3397 1.2168 99.3398 -14.3697 GPRESSURE: 2253600 -38.3117 -35.6429 48.7122 -96.8456 -289.41 -19.1355 -106.685 124.923 47.8679 PRESSAVG: 2253600 -35.0271 -69.5055 -30.4091 -69.5055 38.5969 -23.7494 -30.4091 -23.7493 15.3257 GPRESSAVG: 2253600 -36.1322 -69.5991 -31.0925 -69.5399 39.6876 -25.2782 -29.1985 -25.3102 15.1955 TIMING: 2253600 CPU: 7195.08, 0.00317006/step Wall: 7195.08, 0.00317006/step, 2.41841 hours remaining, 239.824219 MB of memory in use. ENERGY: 2253600 3952.2736 20305.6687 14438.8981 238.3271 -202973.5170 2262.4637 0.0000 0.0000 52223.7054 -109552.1804 300.1304 -161775.8858 -109173.7869 299.1999 -124.4578 -93.2845 759443.4796 6.2985 6.2503 PRESSURE: 2253800 17.5006 145.515 65.8287 145.515 -5.80287 -26.0339 65.8289 -26.0331 4.98187 GPRESSURE: 2253800 14.3381 112.349 50.5508 130.37 120.49 -6.24902 47.1106 -64.1822 -12.7973 PRESSAVG: 2253800 -13.3013 -69.5993 -51.0515 -69.5994 13.7471 -2.91549 -51.0515 -2.91551 -1.02154 GPRESSAVG: 2253800 -11.4989 -69.8549 -49.3162 -67.9743 14.1214 -2.498 -50.3164 -3.05087 -2.03804 TIMING: 2253800 CPU: 7195.7, 0.00314518/step Wall: 7195.7, 0.00314518/step, 2.39925 hours remaining, 239.824219 MB of memory in use. ENERGY: 2253800 3959.5985 20502.0196 14410.3986 263.9861 -203254.1664 2644.4701 0.0000 0.0000 51884.8793 -109588.8142 298.1831 -161473.6936 -109226.9534 299.6738 5.5599 40.6769 760852.5689 -0.1919 0.1948 PRESSURE: 2254000 80.9712 209.765 34.3155 209.764 -11.0846 290.643 34.3163 290.642 -93.9671 GPRESSURE: 2254000 -16.2219 158.622 19.3416 239.105 47.1671 278.77 109.299 224.524 13.8678 PRESSAVG: 2254000 -10.3447 -97.7203 -10.458 -97.7203 31.5005 4.53682 -10.458 4.53679 -0.28256 GPRESSAVG: 2254000 -11.0885 -97.4513 -9.87363 -99.7152 32.1678 5.61556 -12.0002 4.50403 0.101255 TIMING: 2254000 CPU: 7196.34, 0.00319056/step Wall: 7196.34, 0.00319056/step, 2.43368 hours remaining, 239.824219 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: 2254000 3897.7321 20574.8999 14452.9811 245.3895 -203499.0889 2646.5656 0.0000 0.0000 52036.3704 -109645.1502 299.0537 -161681.5207 -109284.5119 299.4576 -8.0268 14.9377 760613.2749 6.9577 7.0602 PRESSURE: 2254200 -190.755 59.1472 -118.793 59.1468 -269.58 -36.1338 -118.794 -36.1344 -115.495 GPRESSURE: 2254200 -232.359 56.8716 -171.666 -35.3897 -184.701 -102.644 -15.2534 -69.5643 -87.9152 PRESSAVG: 2254200 3.37179 -60.425 1.74518 -60.425 -4.77669 -47.8542 1.74521 -47.8542 -23.494 GPRESSAVG: 2254200 2.20576 -60.5649 0.745846 -58.9664 -4.99705 -48.8528 2.63786 -45.5064 -22.2446 TIMING: 2254200 CPU: 7196.98, 0.00318763/step Wall: 7196.98, 0.00318763/step, 2.43127 hours remaining, 239.824219 MB of memory in use. ENERGY: 2254200 4062.4432 20648.8397 14436.9542 227.7113 -203438.9632 2516.5939 0.0000 0.0000 52078.6192 -109467.8018 299.2965 -161546.4210 -109107.6671 299.3619 -191.9435 -168.3249 762130.1858 -8.2996 -8.3453 PRESSURE: 2254400 4.54619 -234.695 25.5981 -234.694 -232.639 -175.169 25.5983 -175.169 102.817 GPRESSURE: 2254400 25.8438 -202.799 55.7387 -190.426 -148.615 -250.968 -56.7758 -256.072 93.5761 PRESSAVG: 2254400 -11.3166 -66.9113 -56.3011 -66.9113 25.1834 -6.51976 -56.301 -6.51977 1.97036 GPRESSAVG: 2254400 -10.1904 -66.1613 -54.1932 -67.4852 23.5514 -6.58462 -58.4531 -8.01933 2.99063 TIMING: 2254400 CPU: 7197.61, 0.0031565/step Wall: 7197.61, 0.0031565/step, 2.40736 hours remaining, 239.824219 MB of memory in use. ENERGY: 2254400 3960.2576 20605.7007 14463.3685 231.9330 -203271.9193 2526.2150 0.0000 0.0000 52169.6489 -109314.7956 299.8197 -161484.4445 -108957.2373 299.6563 -41.7588 -9.7318 760077.8738 5.2791 5.4505 PRESSURE: 2254600 -289.616 -317.533 -336.571 -317.533 -122.369 92.7299 -336.571 92.7305 -275.056 GPRESSURE: 2254600 -198.163 -345.342 -226.33 -193.777 -138.281 114.144 -326.186 127.482 -271.893 PRESSAVG: 2254600 -15.109 -61.7664 -18.7003 -61.7665 13.1605 -65.3666 -18.7003 -65.3666 29.9093 GPRESSAVG: 2254600 -14.2882 -61.284 -21.0051 -61.2419 13.9328 -64.7157 -16.9396 -65.0301 28.1443 TIMING: 2254600 CPU: 7198.24, 0.00314767/step Wall: 7198.24, 0.00314767/step, 2.40045 hours remaining, 239.824219 MB of memory in use. ENERGY: 2254600 4067.5486 20503.1950 14502.7684 240.9111 -203401.7387 2537.4915 0.0000 0.0000 52349.0816 -109200.7425 300.8509 -161549.8241 -108841.5636 299.6922 -229.0138 -202.7793 761219.9399 9.3203 9.2630 PRESSURE: 2254800 -188.909 -93.3333 -280.186 -93.3329 -191.945 137.894 -280.186 137.893 -127.03 GPRESSURE: 2254800 -246.87 -109.369 -306.558 -20.1355 -115.514 107.798 -318.016 166.741 -58.9275 PRESSAVG: 2254800 17.7292 -102.077 -9.95133 -102.077 -7.52838 -17.9362 -9.9513 -17.9362 -8.62948 GPRESSAVG: 2254800 16.951 -102.755 -11.5046 -102.82 -6.52303 -16.5174 -9.49169 -17.6464 -8.69495 TIMING: 2254800 CPU: 7198.88, 0.00316937/step Wall: 7198.88, 0.00316937/step, 2.41682 hours remaining, 239.824219 MB of memory in use. ENERGY: 2254800 3988.3133 20395.4987 14483.3915 248.3998 -203180.9214 2355.8693 0.0000 0.0000 52177.5262 -109531.9226 299.8650 -161709.4489 -109158.0536 299.5093 -169.2946 -140.4370 761314.8953 0.5238 0.5777 PRESSURE: 2255000 27.9862 -234.968 -42.8899 -234.969 -119.895 92.6881 -42.8902 92.6886 -142.449 GPRESSURE: 2255000 93.0737 -147.064 -24.1732 -189.21 -66.9652 100.954 -165.31 27.3699 -169.152 PRESSAVG: 2255000 23.8883 -22.3997 -9.46649 -22.3998 -41.6199 -14.548 -9.46655 -14.5482 8.49149 GPRESSAVG: 2255000 24.8985 -23.1897 -7.49439 -22.8886 -42.7544 -14.0683 -9.99933 -12.8289 8.68045 TIMING: 2255000 CPU: 7199.5, 0.00313678/step Wall: 7199.5, 0.00313678/step, 2.3918 hours remaining, 239.824219 MB of memory in use. ENERGY: 2255000 3954.5865 20507.4775 14426.9759 255.7027 -203274.3162 2509.8619 0.0000 0.0000 52050.0231 -109569.6887 299.1322 -161619.7118 -109204.6990 299.2428 -78.1195 -47.6810 760491.8485 -3.0800 -3.0585 PRESSURE: 2255200 2.24346 85.067 92.2056 85.0673 -15.4647 -245.594 92.2052 -245.594 24.6259 GPRESSURE: 2255200 -24.0135 61.0415 130.213 23.2129 6.0253 -255.894 158.778 -180.799 104.199 PRESSAVG: 2255200 11.7235 -52.2402 -48.6334 -52.2401 43.7691 -86.3242 -48.6333 -86.3242 -8.52663 GPRESSAVG: 2255200 9.88411 -51.2757 -50.6181 -53.9517 44.1493 -87.5278 -48.8087 -89.0318 -7.27758 TIMING: 2255200 CPU: 7200.13, 0.00312903/step Wall: 7200.13, 0.00312903/step, 2.38571 hours remaining, 239.824219 MB of memory in use. ENERGY: 2255200 3972.1933 20728.4994 14357.7364 250.4503 -203543.7502 2552.2339 0.0000 0.0000 51966.1480 -109716.4889 298.6502 -161682.6369 -109363.7608 299.4766 3.8015 28.7369 761444.7255 15.6554 15.5853 PRESSURE: 2255400 -283.712 -5.22381 81.4286 -5.22442 -106.717 -59.599 81.4284 -59.6004 -348.405 GPRESSURE: 2255400 -144.568 -29.65 105.101 0.693549 -143.002 -35.3647 14.8608 1.87979 -373.381 PRESSAVG: 2255400 27.7395 -77.9053 -35.8908 -77.9053 -39.7106 14.61 -35.8909 14.61 2.49666 GPRESSAVG: 2255400 28.9152 -79.1478 -35.374 -74.1756 -41.2086 13.1725 -34.9801 16.9683 2.8546 TIMING: 2255400 CPU: 7200.76, 0.00313808/step Wall: 7200.76, 0.00313808/step, 2.39244 hours remaining, 239.824219 MB of memory in use. ENERGY: 2255400 3919.3570 20565.0127 14438.5939 226.9363 -203062.2046 2284.5428 0.0000 0.0000 51924.9967 -109702.7653 298.4137 -161627.7620 -109345.4183 298.7898 -246.2780 -220.3171 761973.2115 -3.1581 -3.1463 PRESSURE: 2255600 -245.005 88.1635 98.9528 88.1631 131.84 279.368 98.9521 279.367 -137.923 GPRESSURE: 2255600 -153.673 147.993 30.4871 32.7094 114.999 235.801 38.9473 250.133 -115.444 PRESSAVG: 2255600 19.1991 -28.09 -5.16725 -28.0901 16.0052 -15.5103 -5.1672 -15.5103 -6.05134 GPRESSAVG: 2255600 18.9468 -25.8568 -4.66151 -30.4256 16.8264 -14.0484 -4.7239 -17.3867 -7.31851 TIMING: 2255600 CPU: 7201.38, 0.00312749/step Wall: 7201.38, 0.00312749/step, 2.38419 hours remaining, 239.824219 MB of memory in use. ENERGY: 2255600 3981.5606 20537.7378 14433.7598 267.4108 -203645.0462 2820.1246 0.0000 0.0000 52041.9863 -109562.4663 299.0860 -161604.4526 -109197.5433 299.1330 -83.6959 -51.3725 761843.3124 9.7177 9.4849 PRESSURE: 2255800 -199.736 -13.7891 150.084 -13.7888 -211.325 217.593 150.085 217.592 -183.823 GPRESSURE: 2255800 -113.113 56.409 277.382 -138.65 -232.199 238.313 233.268 193.19 -155.175 PRESSAVG: 2255800 -3.16962 -63.2787 40.0798 -63.2787 18.8331 96.252 40.0798 96.2521 0.972122 GPRESSAVG: 2255800 -3.95938 -64.7421 41.4335 -60.4918 18.6628 96.2342 38.7607 97.5472 1.78681 TIMING: 2255800 CPU: 7202.01, 0.00312184/step Wall: 7202.01, 0.00312184/step, 2.37971 hours remaining, 239.824219 MB of memory in use. ENERGY: 2255800 4022.0561 20614.6800 14428.8475 251.3045 -203030.7302 2332.9607 0.0000 0.0000 51897.0922 -109483.7893 298.2533 -161380.8815 -109119.7753 299.4242 -198.2950 -166.8289 763326.5010 5.5452 5.4967 PRESSURE: 2256000 -111.622 9.86046 50.4193 9.86106 33.5512 -144.432 50.4193 -144.431 17.8562 GPRESSURE: 2256000 -61.7523 40.7058 -25.5534 -72.6157 -16.8816 -136.012 -176.867 -123.648 82.9003 PRESSAVG: 2256000 3.14956 -37.9161 -30.0701 -37.9161 -43.5537 -26.2029 -30.0701 -26.2029 -18.2196 GPRESSAVG: 2256000 4.09856 -37.0466 -31.2722 -40.6427 -43.2893 -27.2803 -30.149 -28.3907 -19.2217 TIMING: 2256000 CPU: 7202.63, 0.00313519/step Wall: 7202.63, 0.00313519/step, 2.38971 hours remaining, 239.824219 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: 2256000 4050.7586 20416.5858 14404.6367 236.6138 -203244.2754 2560.8114 0.0000 0.0000 51970.2904 -109604.5787 298.6740 -161574.8691 -109245.6176 299.0286 -20.0717 1.4222 763837.9921 -19.5413 -19.4708 PRESSURE: 2256200 60.8676 -235.121 -173.327 -235.121 4.80548 -113.247 -173.326 -113.249 -70.0748 GPRESSURE: 2256200 6.24393 -250.176 -91.048 -196.233 92.0421 -81.3987 -73.669 45.4743 7.50718 PRESSAVG: 2256200 58.9631 -44.7767 26.1256 -44.7766 -50.8796 -18.3757 26.1256 -18.3756 8.26561 GPRESSAVG: 2256200 57.8212 -44.4811 24.9349 -41.8324 -49.5511 -18.4332 27.4728 -16.1723 8.03423 TIMING: 2256200 CPU: 7203.26, 0.00312846/step Wall: 7203.26, 0.00312846/step, 2.38441 hours remaining, 239.824219 MB of memory in use. ENERGY: 2256200 3980.8396 20528.1715 14353.8705 227.5967 -203679.3696 2738.0360 0.0000 0.0000 51861.7640 -109989.0914 298.0503 -161850.8554 -109633.4055 298.5546 -1.4673 35.2644 761026.4350 5.4497 5.4348 LDB: ============= START OF LOAD BALANCING ============== 7215.71 LDB: ============== END OF LOAD BALANCING =============== 7215.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7215.71 LDB: ============= START OF LOAD BALANCING ============== 7216.02 LDB: Largest compute 7057 load 0.035405 is 18.1% of average load 0.195200 LDB: Average compute 0.004397 is 2.3% of average load 0.195200 LDB: TIME 7216.02 LOAD: AVG 0.1952 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.855 MB LDB: TIME 7216.02 LOAD: AVG 0.1952 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: TIME 7216.02 LOAD: AVG 0.1952 MAX 0.21444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: ============== END OF LOAD BALANCING =============== 7216.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7216.03 PRESSURE: 2256400 -447.355 -41.1718 109.865 -41.171 -327.495 -29.8612 109.865 -29.8615 -257.427 GPRESSURE: 2256400 -410.768 -32.2816 87.8231 -19.9488 -257.792 12.9498 -62.7714 -39.9289 -281.332 PRESSAVG: 2256400 -6.41419 -74.1009 12.2944 -74.1009 -30.0035 -41.5511 12.2944 -41.5512 -7.46388 GPRESSAVG: 2256400 -6.2396 -73.203 13.3242 -75.3323 -30.6771 -39.4813 10.2456 -42.8125 -6.49115 TIMING: 2256400 CPU: 7203.9, 0.00318444/step Wall: 7203.9, 0.00318444/step, 2.42689 hours remaining, 239.312500 MB of memory in use. ENERGY: 2256400 3929.5059 20450.0588 14424.6551 239.8200 -203432.1579 2421.6684 0.0000 0.0000 51810.2001 -110156.2497 297.7539 -161966.4497 -109796.3474 297.5647 -344.0921 -316.6306 762073.2397 -14.6272 -14.4693 PRESSURE: 2256600 21.3022 -122.673 -88.5591 -122.673 -122.296 -128.184 -88.559 -128.185 -288.9 GPRESSURE: 2256600 77.6738 -107.037 -52.7272 -100.345 -118.638 -63.2862 -162.897 -174.886 -269.822 PRESSAVG: 2256600 52.9387 -38.3959 25.0287 -38.3959 -74.3761 -12.6103 25.0287 -12.6103 -14.5643 GPRESSAVG: 2256600 53.6258 -40.3214 24.5951 -37.3631 -75.2412 -14.3637 26.6659 -11.8408 -14.6215 TIMING: 2256600 CPU: 7204.52, 0.00313966/step Wall: 7204.52, 0.00313966/step, 2.3926 hours remaining, 239.515625 MB of memory in use. ENERGY: 2256600 3905.8960 20500.5454 14430.3174 251.2460 -203972.9607 2923.5568 0.0000 0.0000 51908.5372 -110052.8619 298.3191 -161961.3990 -109694.3561 297.8867 -129.9647 -103.5953 761445.6474 -12.0006 -12.0790 PRESSURE: 2256800 -7.35137 -45.1627 25.6506 -45.1624 -122.679 -89.4095 25.6501 -89.4094 -83.9496 GPRESSURE: 2256800 28.1092 -164.961 -47.2025 6.81066 -60.5023 -159.985 -7.68 -90.6068 -84.3492 PRESSAVG: 2256800 14.8181 -35.6115 -10.3376 -35.6115 -42.7823 5.47902 -10.3376 5.47902 9.29524 GPRESSAVG: 2256800 15.925 -37.0796 -10.4623 -36.9345 -42.9331 5.67138 -11.1698 5.5477 8.51379 TIMING: 2256800 CPU: 7205.15, 0.00313954/step Wall: 7205.15, 0.00313954/step, 2.39233 hours remaining, 239.515625 MB of memory in use. ENERGY: 2256800 4040.1484 20592.4475 14393.0246 231.7055 -203344.4753 2381.6126 0.0000 0.0000 51934.4430 -109771.0938 298.4680 -161705.5368 -109407.8791 298.1798 -71.3266 -38.9141 761403.9780 -6.2230 -6.1648 PRESSURE: 2257000 -239.136 -196.462 -166.215 -196.462 -236.388 -308.66 -166.216 -308.66 -274.465 GPRESSURE: 2257000 -176.282 -212.66 -254.352 -142.217 -174.191 -265.897 -92.2509 -284.899 -294.978 PRESSAVG: 2257000 -33.9933 -27.5464 31.1461 -27.5463 15.5855 -27.7846 31.1462 -27.7846 -14.4518 GPRESSAVG: 2257000 -32.438 -27.8507 31.1263 -28.1938 15.0754 -29.3676 32.2815 -26.2065 -15.3961 TIMING: 2257000 CPU: 7205.79, 0.00318102/step Wall: 7205.79, 0.00318102/step, 2.42376 hours remaining, 239.515625 MB of memory in use. ENERGY: 2257000 4020.0452 20518.1383 14432.1967 245.3499 -203596.5866 2471.2632 0.0000 0.0000 52194.7362 -109714.8571 299.9639 -161909.5933 -109350.3620 299.0015 -249.9966 -215.1505 759849.9185 -10.9532 -10.9196 PRESSURE: 2257200 -3.69674 -114.927 49.8688 -114.927 155.839 8.82141 49.8681 8.82236 2.13324 GPRESSURE: 2257200 18.1085 -153.905 -7.10117 8.69931 250.369 9.43217 153.714 -43.837 -15.0005 PRESSAVG: 2257200 -2.10922 -58.3683 1.03755 -58.3683 -3.96858 -68.093 1.03758 -68.0931 12.5863 GPRESSAVG: 2257200 -4.73587 -57.1237 2.22286 -56.9511 -1.80868 -66.3012 0.78813 -67.6136 12.9645 TIMING: 2257200 CPU: 7206.42, 0.00314618/step Wall: 7206.42, 0.00314618/step, 2.39704 hours remaining, 239.515625 MB of memory in use. ENERGY: 2257200 3845.7936 20469.3080 14405.4095 243.0387 -203582.7546 2692.7341 0.0000 0.0000 52263.2477 -109663.2231 300.3576 -161926.4707 -109292.0872 298.8301 51.4251 84.4923 759976.1987 2.1695 2.1400 PRESSURE: 2257400 -255.046 127.183 29.5527 127.183 15.5008 31.5764 29.5522 31.5768 -365.479 GPRESSURE: 2257400 -195.475 1.15572 25.9616 50.2092 24.7513 97.9934 -39.3558 -22.2958 -352.242 PRESSAVG: 2257400 36.4212 -0.0238218 6.98132 -0.0238509 -12.5254 -52.5055 6.98127 -52.5056 -5.7644 GPRESSAVG: 2257400 38.0133 -0.0202253 4.43846 -0.0719302 -13.3687 -52.5626 7.86263 -54.4193 -6.6202 TIMING: 2257400 CPU: 7207.05, 0.00314508/step Wall: 7207.05, 0.00314508/step, 2.39603 hours remaining, 239.515625 MB of memory in use. ENERGY: 2257400 4028.2274 20570.1742 14457.8394 242.2280 -203390.7771 2590.9023 0.0000 0.0000 51858.2112 -109643.1947 298.0299 -161501.4059 -109277.7477 298.9415 -201.6747 -174.3221 760004.1331 6.0438 6.0081 PRESSURE: 2257600 268.025 -69.8953 125.119 -69.8958 -98.1236 -148.804 125.12 -148.805 227.17 GPRESSURE: 2257600 285.366 -42.6212 160.159 -233.154 9.96136 -131.351 -5.33286 -212.032 207.481 PRESSAVG: 2257600 45.4063 -42.6812 0.558352 -42.6812 -35.1771 -16.2848 0.558317 -16.2847 4.92797 GPRESSAVG: 2257600 45.3591 -43.4693 0.56987 -43.1038 -36.0183 -16.2414 0.0784998 -17.1106 5.60397 TIMING: 2257600 CPU: 7207.68, 0.00318179/step Wall: 7207.68, 0.00318179/step, 2.42382 hours remaining, 239.515625 MB of memory in use. ENERGY: 2257600 4008.6536 20618.4681 14314.1355 238.9112 -203697.4556 2724.3749 0.0000 0.0000 52024.4906 -109768.4216 298.9855 -161792.9122 -109400.2647 298.9911 132.3569 167.6026 758735.2881 5.0524 4.9816 PRESSURE: 2257800 8.55227 -61.4451 221.459 -61.4457 -165.779 -218.427 221.46 -218.429 -190.21 GPRESSURE: 2257800 78.469 -94.1935 221.274 -69.3176 -167.137 -151.021 154.657 -139.764 -163.989 PRESSAVG: 2257800 24.6355 -14.0316 -8.01235 -14.0316 -25.1899 -51.2316 -8.01235 -51.2316 13.1057 GPRESSAVG: 2257800 24.2178 -13.7794 -5.68768 -13.3099 -25.7576 -50.1915 -10.7087 -49.5618 14.0062 TIMING: 2257800 CPU: 7208.31, 0.00315718/step Wall: 7208.31, 0.00315718/step, 2.4049 hours remaining, 239.515625 MB of memory in use. ENERGY: 2257800 3974.9696 20783.2593 14386.5349 263.7650 -203319.2562 2247.2599 0.0000 0.0000 51709.2523 -109954.2152 297.1738 -161663.4676 -109602.4888 299.1480 -115.8124 -84.2188 758519.5359 4.1838 4.1555 PRESSURE: 2258000 -442.163 -25.5047 -85.422 -25.5053 33.6279 126.506 -85.4222 126.507 54.1248 GPRESSURE: 2258000 -306.443 19.5365 -102.446 -172.773 86.6678 191.622 21.3851 61.9417 -44.1336 PRESSAVG: 2258000 36.2299 -50.614 -50.3552 -50.614 -16.1854 -27.6747 -50.3552 -27.6748 5.14219 GPRESSAVG: 2258000 35.6249 -48.7977 -50.3621 -53.2548 -15.208 -29.3938 -48.1038 -27.6283 4.49218 TIMING: 2258000 CPU: 7208.94, 0.00313545/step Wall: 7208.94, 0.00313545/step, 2.38817 hours remaining, 239.515625 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: 2258000 4041.7261 20515.1723 14424.2829 244.7973 -203621.9028 2596.1281 0.0000 0.0000 51842.6453 -109957.1506 297.9404 -161799.7960 -109590.5508 298.1140 -118.1369 -87.9695 758783.9112 8.3955 8.3030 PRESSURE: 2258200 -360.727 111.79 118.203 111.791 -206.939 -298.748 118.202 -298.748 -206.036 GPRESSURE: 2258200 -313.291 87.756 72.3748 -5.52688 -166.716 -244.11 15.132 -354.287 -199.823 PRESSAVG: 2258200 57.5606 -77.5849 -33.558 -77.5849 -51.4097 -68.2819 -33.5579 -68.2819 30.2013 GPRESSAVG: 2258200 57.2408 -79.2362 -34.6334 -78.1583 -50.7552 -70.379 -32.6312 -67.923 29.6347 TIMING: 2258200 CPU: 7209.57, 0.00313233/step Wall: 7209.57, 0.00313233/step, 2.38562 hours remaining, 239.515625 MB of memory in use. ENERGY: 2258200 4008.7811 20519.5224 14385.3521 248.3789 -203345.5919 2350.9123 0.0000 0.0000 52078.1139 -109754.5312 299.2936 -161832.6451 -109381.2463 298.6678 -257.9008 -226.6101 759818.4841 12.1174 12.0401 PRESSURE: 2258400 141.858 -29.1 156.377 -29.0998 -115.499 98.7862 156.377 98.7852 503.712 GPRESSURE: 2258400 142.754 15.7726 191.653 -18.7502 -98.5448 35.9276 97.614 114.023 576.768 PRESSAVG: 2258400 11.5831 -36.1174 -42.2229 -36.1174 17.6509 -66.1198 -42.223 -66.1197 -40.6735 GPRESSAVG: 2258400 11.8728 -36.0728 -41.2208 -32.6287 16.4736 -63.7716 -43.1004 -67.0697 -39.4713 TIMING: 2258400 CPU: 7210.2, 0.00314418/step Wall: 7210.2, 0.00314418/step, 2.39447 hours remaining, 239.515625 MB of memory in use. ENERGY: 2258400 3977.8414 20650.5451 14456.7948 258.6954 -203698.0179 2502.1681 0.0000 0.0000 51923.0332 -109928.9399 298.4024 -161851.9731 -109575.1688 298.4564 176.6901 206.9924 758399.8099 -3.8132 -3.7083 PRESSURE: 2258600 -180.941 10.0346 44.3788 10.0347 -203.022 11.9363 44.3787 11.9371 -253.043 GPRESSURE: 2258600 -99.2623 -67.3714 57.4118 -36.3369 -155.034 -24.9839 14.386 -82.1623 -286.813 PRESSAVG: 2258600 47.9442 -48.1397 42.017 -48.1397 -13.4855 -26.529 42.017 -26.529 16.1996 GPRESSAVG: 2258600 48.8704 -48.0712 41.6637 -48.8844 -13.287 -26.4463 41.6404 -26.4319 14.9895 TIMING: 2258600 CPU: 7210.83, 0.00317617/step Wall: 7210.83, 0.00317617/step, 2.41865 hours remaining, 239.515625 MB of memory in use. ENERGY: 2258600 4018.1305 20419.1645 14451.1530 251.3785 -203758.1679 2453.7820 0.0000 0.0000 52316.3502 -109848.2092 300.6628 -162164.5593 -109481.2824 298.4812 -212.3355 -180.3697 759682.4711 16.8861 16.8577 PRESSURE: 2258800 -147.681 -189.2 -165.033 -189.2 33.4073 -56.8783 -165.034 -56.8778 -106.315 GPRESSURE: 2258800 -39.7985 -165.197 -144.097 -109.409 24.5061 -65.4014 -49.5831 22.3409 -105.114 PRESSAVG: 2258800 16.9116 -45.9821 -10.1062 -45.9822 -18.3172 -15.3395 -10.1061 -15.3394 -4.30317 GPRESSAVG: 2258800 16.8579 -46.2035 -10.0434 -46.0451 -18.8279 -16.0281 -11.0642 -14.8806 -3.90493 TIMING: 2258800 CPU: 7211.46, 0.00316878/step Wall: 7211.46, 0.00316878/step, 2.41285 hours remaining, 239.515625 MB of memory in use. ENERGY: 2258800 4021.4090 20553.8321 14401.9346 247.9444 -203575.0541 2728.7044 0.0000 0.0000 51813.2152 -109808.0143 297.7713 -161621.2295 -109449.6990 298.4609 -73.5295 -40.1355 760254.1617 -1.9029 -1.9583 PRESSURE: 2259000 142.325 317.003 -86.5674 317.002 -394.443 -389.629 -86.5676 -389.63 -35.7233 GPRESSURE: 2259000 125.063 400.881 -132.96 308.381 -333.351 -325.632 -113.902 -244.562 -9.93713 PRESSAVG: 2259000 69.7815 -26.6013 -28.7998 -26.6014 -67.2818 -53.9553 -28.7999 -53.9554 14.2838 GPRESSAVG: 2259000 68.7264 -25.9945 -28.818 -26.653 -67.4023 -52.5165 -26.9997 -53.466 15.4246 TIMING: 2259000 CPU: 7212.09, 0.00314077/step Wall: 7212.09, 0.00314077/step, 2.39135 hours remaining, 239.515625 MB of memory in use. ENERGY: 2259000 3958.3700 20742.1653 14391.2578 232.0302 -203725.9948 2739.0986 0.0000 0.0000 52018.7566 -109644.3162 298.9525 -161663.0728 -109289.4219 298.8620 -95.9472 -72.7417 761111.7081 5.5945 5.5829 PRESSURE: 2259200 -418.463 -63.872 172.853 -63.8722 -254.198 39.3543 172.854 39.3546 -195.865 GPRESSURE: 2259200 -349.207 -47.9293 92.3998 -47.07 -291.962 102.663 105.12 -91.1206 -153.489 PRESSAVG: 2259200 26.1187 -30.4349 2.28156 -30.4349 -51.2895 7.91543 2.28157 7.91539 3.12268 GPRESSAVG: 2259200 26.565 -30.7838 0.49032 -30.885 -50.601 7.91341 1.83457 7.16235 1.68403 TIMING: 2259200 CPU: 7212.72, 0.00314989/step Wall: 7212.72, 0.00314989/step, 2.39812 hours remaining, 239.515625 MB of memory in use. ENERGY: 2259200 4023.9359 20558.1754 14443.8544 240.3713 -203168.0093 2106.3555 0.0000 0.0000 52182.6743 -109612.6425 299.8945 -161795.3168 -109248.5692 299.2633 -289.5088 -264.8861 762255.0756 -7.3494 -7.4507 PRESSURE: 2259400 -182.358 -106.086 59.7507 -106.087 -517.442 129.897 59.7511 129.896 -38.9723 GPRESSURE: 2259400 -100.542 -2.74006 74.9404 -97.717 -441.623 107.578 74.1294 47.9338 -110.497 PRESSAVG: 2259400 -1.07203 0.627278 -47.008 0.627267 15.5539 22.5511 -47.0081 22.551 -10.6625 GPRESSAVG: 2259400 -0.588078 0.329964 -44.4801 -0.165214 14.654 20.7134 -47.2547 20.4687 -9.90048 TIMING: 2259400 CPU: 7213.36, 0.00316712/step Wall: 7213.36, 0.00316712/step, 2.41106 hours remaining, 239.515625 MB of memory in use. ENERGY: 2259400 4013.4970 20606.7067 14242.8180 239.1627 -203319.4711 2298.1534 0.0000 0.0000 52149.2668 -109769.8664 299.7026 -161919.1333 -109406.0179 298.9162 -246.2573 -217.5538 761789.4260 1.2732 1.3885 PRESSURE: 2259600 314.891 104.91 -82.4394 104.91 -7.60695 118.83 -82.4387 118.83 -27.5796 GPRESSURE: 2259600 286.494 110.699 -50.812 24.9334 86.1811 -24.4968 -31.9231 117.402 -16.5951 PRESSAVG: 2259600 54.4228 8.02417 -11.0961 8.02422 -57.7485 -0.141168 -11.0962 -0.141164 7.42644 GPRESSAVG: 2259600 55.019 9.91273 -8.83827 8.97159 -56.6381 -1.15651 -10.5712 3.81155 6.03854 TIMING: 2259600 CPU: 7213.99, 0.00314326/step Wall: 7213.99, 0.00314326/step, 2.39272 hours remaining, 239.515625 MB of memory in use. ENERGY: 2259600 4077.3536 20454.3281 14445.3685 262.2012 -203536.7449 2721.6569 0.0000 0.0000 51869.0118 -109706.8248 298.0919 -161575.8365 -109348.2893 298.9376 93.2350 118.6934 762869.6627 1.3669 1.4731 PRESSURE: 2259800 -138.808 -169.068 -221.197 -169.068 -8.44466 -161.067 -221.197 -161.068 307.158 GPRESSURE: 2259800 -85.6672 -63.6899 -207.404 -131.096 56.3259 -182.226 -230.749 -88.4635 293.291 PRESSAVG: 2259800 4.99475 -0.475597 -59.0764 -0.475535 -33.6364 -31.033 -59.0764 -31.0329 -1.31522 GPRESSAVG: 2259800 3.10808 -2.16227 -62.1583 -1.58766 -33.4804 -30.2218 -58.3723 -31.8999 0.420054 TIMING: 2259800 CPU: 7214.62, 0.00316552/step Wall: 7214.62, 0.00316552/step, 2.40949 hours remaining, 239.515625 MB of memory in use. ENERGY: 2259800 3948.0600 20661.5341 14409.9443 236.7165 -203708.0894 2617.2426 0.0000 0.0000 52230.4792 -109604.1126 300.1693 -161834.5918 -109253.1233 299.3112 53.3019 87.9832 762036.4441 -9.9856 -9.9841 PRESSURE: 2260000 -228.022 169.485 -72.7577 169.485 -228.491 -140.182 -72.7581 -140.181 109.556 GPRESSURE: 2260000 -106.672 134.569 39.8559 178.575 -212.051 -161.55 -31.2572 22.4617 49.1261 PRESSAVG: 2260000 35.7191 -27.0046 -45.2529 -27.0046 -24.2812 -5.19009 -45.2529 -5.19008 -11.3897 GPRESSAVG: 2260000 37.2897 -29.3904 -45.3337 -25.7019 -24.3512 -2.6003 -44.149 -6.01438 -12.5512 TIMING: 2260000 CPU: 7215.25, 0.00316427/step Wall: 7215.25, 0.00316427/step, 2.40836 hours remaining, 239.515625 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: 2260000 4000.6698 20455.4683 14424.0585 236.9273 -203893.0835 2942.5437 0.0000 0.0000 52142.1442 -109691.2717 299.6616 -161833.4159 -109316.1352 298.9056 -115.6521 -89.8656 762387.6783 0.0161 0.1291 PRESSURE: 2260200 196.755 -157.972 122.366 -157.972 -58.125 -53.5431 122.366 -53.5426 110.74 GPRESSURE: 2260200 253.052 -87.0849 114.29 -115.412 -74.574 -74.2345 74.3263 -39.8136 149.733 PRESSAVG: 2260200 77.8991 -35.0859 -34.7207 -35.0859 -49.5054 -4.66648 -34.7207 -4.66644 11.0732 GPRESSAVG: 2260200 77.629 -31.9191 -34.9586 -35.5764 -50.7003 -5.89091 -35.5542 -5.29375 12.15 TIMING: 2260200 CPU: 7215.88, 0.0031337/step Wall: 7215.88, 0.0031337/step, 2.38492 hours remaining, 239.515625 MB of memory in use. ENERGY: 2260200 3975.8629 20652.3787 14434.7010 263.9945 -203727.0293 2825.1930 0.0000 0.0000 51767.6612 -109807.2380 297.5095 -161574.8992 -109445.9289 298.7948 83.1231 109.4039 760775.4303 13.1556 13.0262 LDB: ============= START OF LOAD BALANCING ============== 7228.33 LDB: ============== END OF LOAD BALANCING =============== 7228.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7228.33 LDB: ============= START OF LOAD BALANCING ============== 7228.65 LDB: Largest compute 7060 load 0.037101 is 19.0% of average load 0.195264 LDB: Average compute 0.004373 is 2.2% of average load 0.195264 LDB: TIME 7228.65 LOAD: AVG 0.195264 MAX 0.212777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.336 MB LDB: TIME 7228.65 LOAD: AVG 0.195264 MAX 0.212777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: TIME 7228.65 LOAD: AVG 0.195264 MAX 0.212777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: ============== END OF LOAD BALANCING =============== 7228.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7228.66 PRESSURE: 2260400 61.4262 22.7712 318.448 22.7709 -93.9585 -155.89 318.448 -155.89 -203.177 GPRESSURE: 2260400 64.2961 63.4146 259.457 -94.8066 -78.963 -153.438 333.555 -175.38 -124.428 PRESSAVG: 2260400 48.8441 -73.6712 14.1944 -73.6712 -65.2061 -30.7776 14.1945 -30.7776 -4.09546 GPRESSAVG: 2260400 48.8977 -73.9063 14.9488 -74.4835 -66.7469 -31.2763 13.2853 -32.1184 -3.54153 TIMING: 2260400 CPU: 7216.52, 0.00321665/step Wall: 7216.52, 0.00321665/step, 2.44787 hours remaining, 241.117188 MB of memory in use. ENERGY: 2260400 4015.1402 20639.5134 14326.0418 233.7065 -203892.5799 2864.3560 0.0000 0.0000 52098.8167 -109715.0053 299.4126 -161813.8220 -109350.6344 298.9197 -78.5699 -46.3649 763450.9080 -6.8192 -7.1302 PRESSURE: 2260600 20.9293 -58.4284 -197.442 -58.4275 -319.461 -41.8966 -197.443 -41.8957 347.998 GPRESSURE: 2260600 -54.6986 -79.5046 -117.843 -39.9894 -149.775 -75.2239 -144.836 -53.7729 335.214 PRESSAVG: 2260600 11.0814 -83.4611 -1.53725 -83.4611 10.6679 -77.0979 -1.53722 -77.0979 22.9116 GPRESSAVG: 2260600 10.1496 -84.7081 -0.479157 -82.1022 12.6004 -76.4205 -0.47664 -75.6609 22.3783 TIMING: 2260600 CPU: 7217.15, 0.0031547/step Wall: 7217.15, 0.0031547/step, 2.40055 hours remaining, 241.117188 MB of memory in use. ENERGY: 2260600 4008.4277 20588.1628 14433.9578 258.2739 -203407.7723 2521.5846 0.0000 0.0000 52043.6543 -109553.7112 299.0956 -161597.3655 -109199.1990 298.9573 16.4887 43.5801 760972.9430 14.8870 15.0428 PRESSURE: 2260800 -162.981 -234.063 65.1414 -234.064 210.939 22.418 65.1414 22.4179 70.1255 GPRESSURE: 2260800 -56.4729 -207.87 93.1975 -213.254 190.693 62.9358 5.28692 -106.946 60.8155 PRESSAVG: 2260800 -11.6691 -73.4235 -48.2564 -73.4235 -3.01645 2.24625 -48.2564 2.24628 -15.9457 GPRESSAVG: 2260800 -11.178 -73.9176 -50.2672 -73.687 -2.77598 1.98675 -48.0735 1.34552 -16.5496 TIMING: 2260800 CPU: 7217.78, 0.00314843/step Wall: 7217.78, 0.00314843/step, 2.3956 hours remaining, 241.117188 MB of memory in use. ENERGY: 2260800 4008.3928 20490.1425 14353.6541 275.9312 -203620.3688 2651.2076 0.0000 0.0000 52356.7222 -109484.3183 300.8948 -161841.0406 -109120.1769 299.0922 39.3611 65.0118 762185.5107 -10.2104 -10.1679 PRESSURE: 2261000 137.953 -116 -227.912 -116 23.6115 -281.216 -227.911 -281.215 32.1885 GPRESSURE: 2261000 228.085 -146.456 -322.198 -67.6046 9.9459 -246.968 -204.023 -340.533 31.6179 PRESSAVG: 2261000 41.2492 -49.6829 -33.8353 -49.6828 -44.0536 -20.5225 -33.8353 -20.5225 19.4173 GPRESSAVG: 2261000 42.5376 -47.7632 -33.8895 -50.3314 -44.7721 -20.9131 -34.836 -21.1221 19.2806 TIMING: 2261000 CPU: 7218.42, 0.00317424/step Wall: 7218.42, 0.00317424/step, 2.41507 hours remaining, 241.117188 MB of memory in use. ENERGY: 2261000 3907.3185 20580.4986 14409.6032 233.6790 -203135.9103 2457.4407 0.0000 0.0000 52219.4465 -109327.9239 300.1059 -161547.3704 -108948.9040 299.5913 64.5842 89.8831 761709.2520 5.5376 5.6820 PRESSURE: 2261200 -95.9029 96.7126 -263.576 96.7125 -67.8833 13.0757 -263.577 13.0755 295.621 GPRESSURE: 2261200 34.4278 132.052 -285.711 -75.3183 -99.3242 67.0175 -233.143 -15.0286 256.031 PRESSAVG: 2261200 34.5241 -81.3105 -45.5725 -81.3104 -14.1709 -22.3977 -45.5726 -22.3977 -22.1029 GPRESSAVG: 2261200 33.0524 -84.3706 -43.4572 -79.3248 -13.4039 -21.6629 -45.0317 -21.8153 -21.0702 TIMING: 2261200 CPU: 7219.05, 0.00315809/step Wall: 7219.05, 0.00315809/step, 2.4026 hours remaining, 241.117188 MB of memory in use. ENERGY: 2261200 3995.3691 20718.4511 14386.1687 265.1231 -203600.6526 2719.8974 0.0000 0.0000 52099.6882 -109415.9550 299.4176 -161515.6432 -109063.2900 299.6293 43.9449 63.7116 762250.6550 -0.5832 -0.4739 PRESSURE: 2261400 -333.214 -173.884 191.493 -173.884 29.9798 202.036 191.494 202.037 -247.896 GPRESSURE: 2261400 -179.316 -186.899 208.881 -151.057 -103.361 88.148 61.9867 226.015 -181.609 PRESSAVG: 2261400 47.3555 -104.751 13.3933 -104.751 -28.3775 39.2882 13.3933 39.2882 5.3662 GPRESSAVG: 2261400 48.6333 -104.75 13.6648 -107.043 -29.8001 37.8183 11.0179 39.2401 5.35478 TIMING: 2261400 CPU: 7219.68, 0.00317636/step Wall: 7219.68, 0.00317636/step, 2.41633 hours remaining, 241.117188 MB of memory in use. ENERGY: 2261400 3947.6461 20546.0885 14353.6078 261.4717 -203203.7067 2498.0738 0.0000 0.0000 51984.9977 -109611.8212 298.7585 -161596.8189 -109254.4845 298.7098 -183.7103 -154.7622 762947.4640 8.1147 8.0627 PRESSURE: 2261600 -29.0969 185.231 238.933 185.232 -215.733 166.923 238.933 166.924 -243.056 GPRESSURE: 2261600 61.4669 227.599 249.088 107.686 -259.955 127.408 228.781 214.218 -202.712 PRESSAVG: 2261600 34.341 -59.058 64.6033 -59.0579 -23.1069 46.6547 64.6033 46.6547 -10.7609 GPRESSAVG: 2261600 34.1963 -57.8419 64.1667 -58.6436 -22.6723 47.3274 64.6474 44.6207 -10.8981 TIMING: 2261600 CPU: 7220.32, 0.00318313/step Wall: 7220.32, 0.00318313/step, 2.4213 hours remaining, 241.117188 MB of memory in use. ENERGY: 2261600 4010.0328 20541.8860 14397.2239 271.4155 -203490.7858 2675.0330 0.0000 0.0000 51987.6952 -109607.4993 298.7740 -161595.1945 -109238.6736 299.0362 -162.6289 -133.7333 762747.8035 0.1577 0.2086 PRESSURE: 2261800 -565.644 -116.394 104.961 -116.394 -227.587 78.5551 104.961 78.5549 -131.983 GPRESSURE: 2261800 -457.897 -136.601 -17.3373 -89.7657 -219.143 208.31 153.451 -89.7815 -154.589 PRESSAVG: 2261800 11.0002 -88.2597 -14.0488 -88.2597 -34.7227 1.41478 -14.0487 1.41478 21.5536 GPRESSAVG: 2261800 11.5809 -88.1811 -15.334 -88.3629 -34.1694 0.0296636 -11.1339 4.63727 20.461 TIMING: 2261800 CPU: 7220.95, 0.00315159/step Wall: 7220.95, 0.00315159/step, 2.39713 hours remaining, 241.117188 MB of memory in use. ENERGY: 2261800 4010.3548 20576.5850 14465.5931 227.1462 -203428.1862 2544.1204 0.0000 0.0000 52079.2166 -109525.1702 299.3000 -161604.3868 -109170.2813 298.6070 -308.4049 -277.2095 762053.5679 -0.7230 -0.7092 PRESSURE: 2262000 381.286 -78.4387 351.898 -78.4384 84.593 32.8059 351.897 32.806 -9.5729 GPRESSURE: 2262000 374.139 -134.468 310.326 -151.238 141.869 37.9458 381.043 16.4054 20.0101 PRESSAVG: 2262000 2.93238 -40.4718 -17.0974 -40.4718 4.95931 -2.47967 -17.0973 -2.47964 -18.6624 GPRESSAVG: 2262000 2.1197 -42.0028 -16.2305 -41.0099 4.01477 -2.07138 -19.895 -1.95619 -16.8679 TIMING: 2262000 CPU: 7221.58, 0.00315078/step Wall: 7221.58, 0.00315078/step, 2.39634 hours remaining, 241.117188 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: 2262000 3928.2596 20616.8672 14461.9509 257.8157 -203851.8894 2828.6896 0.0000 0.0000 52334.1548 -109424.1517 300.7651 -161758.3064 -109059.6914 299.5402 152.1022 178.6725 760766.2227 -3.5902 -3.5778 PRESSURE: 2262200 -46.8265 -51.1052 163.101 -51.1055 -166.915 -184.513 163.101 -184.513 169.156 GPRESSURE: 2262200 44.2167 95.9315 251.98 -49.9626 -196.343 -176.541 98.7905 -154.178 190.203 PRESSAVG: 2262200 4.92832 -44.7112 10.0341 -44.7112 -6.88951 20.428 10.034 20.4279 9.63844 GPRESSAVG: 2262200 5.61559 -42.7046 12.8897 -45.5605 -6.54169 19.3165 9.9734 18.3435 8.47905 TIMING: 2262200 CPU: 7222.21, 0.00315948/step Wall: 7222.21, 0.00315948/step, 2.40279 hours remaining, 241.117188 MB of memory in use. ENERGY: 2262200 4035.4645 20787.4990 14339.3651 246.0971 -203469.1898 2730.7917 0.0000 0.0000 51909.4335 -109420.5389 298.3242 -161329.9724 -109066.4926 299.8980 -14.8620 12.6923 761991.7794 2.5591 2.5177 PRESSURE: 2262400 29.4283 28.132 -27.7588 28.1324 188.399 -99.5635 -27.7591 -99.5634 422.865 GPRESSURE: 2262400 116.762 -0.272806 1.14438 5.2215 223.035 -50.8879 -15.8591 32.2724 392.891 PRESSAVG: 2262400 48.4896 -63.9808 -43.6932 -63.9808 -29.2715 -34.2581 -43.6933 -34.258 3.40276 GPRESSAVG: 2262400 50.1919 -64.3851 -45.2317 -63.088 -30.7278 -33.6161 -43.7435 -33.1425 3.50284 TIMING: 2262400 CPU: 7222.84, 0.00315062/step Wall: 7222.84, 0.00315062/step, 2.39587 hours remaining, 241.117188 MB of memory in use. ENERGY: 2262400 3992.2076 20505.6090 14392.1356 254.3095 -203808.2248 2767.0858 0.0000 0.0000 52148.7158 -109748.1615 299.6994 -161896.8773 -109381.7566 299.5082 213.5641 244.2290 759187.6260 7.5403 7.6556 PRESSURE: 2262600 431.497 64.9396 -145.51 64.9389 -72.7042 275.866 -145.511 275.866 17.3105 GPRESSURE: 2262600 388.812 70.4098 -227.616 -49.9491 69.8729 296.079 -149.428 332.449 3.62987 PRESSAVG: 2262600 17.6174 -81.3973 -7.41624 -81.3973 0.77672 16.0477 -7.41627 16.0477 -30.6291 GPRESSAVG: 2262600 15.4912 -81.3687 -8.89001 -80.2521 1.32617 15.4583 -6.29131 17.4646 -28.7709 TIMING: 2262600 CPU: 7223.47, 0.00313078/step Wall: 7223.47, 0.00313078/step, 2.38061 hours remaining, 241.117188 MB of memory in use. ENERGY: 2262600 3979.7950 20528.2659 14456.7681 231.1459 -203436.6659 2631.3541 0.0000 0.0000 51974.3293 -109635.0076 298.6972 -161609.3369 -109272.6132 298.8193 125.3678 154.1049 761200.4547 -4.0783 -3.9845 PRESSURE: 2262800 20.7272 -100.584 102.895 -100.583 19.8304 -8.05761 102.895 -8.05629 97.8075 GPRESSURE: 2262800 95.9418 -138.611 70.192 -65.4551 -3.90911 -20.7616 10.7743 9.87337 139.233 PRESSAVG: 2262800 22.1445 -30.1792 -19.1272 -30.1791 11.0822 23.8609 -19.1273 23.8609 6.16222 GPRESSAVG: 2262800 22.5847 -29.3478 -20.5297 -32.5609 11.9421 25.0318 -18.0656 20.6686 4.83904 TIMING: 2262800 CPU: 7224.1, 0.00313676/step Wall: 7224.1, 0.00313676/step, 2.38498 hours remaining, 241.117188 MB of memory in use. ENERGY: 2262800 3967.6941 20478.2448 14451.4775 251.5241 -203529.1189 2744.2576 0.0000 0.0000 52127.0351 -109508.8857 299.5748 -161635.9207 -109133.7680 299.5239 46.1217 77.0886 761917.7169 13.1296 13.1219 PRESSURE: 2263000 -88.357 -161.225 -149.889 -161.224 150.165 -26.3376 -149.89 -26.3375 -193.094 GPRESSURE: 2263000 -9.21172 -148.157 -33.6618 -98.3371 145.693 -38.1296 -30.3082 -8.72419 -181.427 PRESSAVG: 2263000 1.41062 -23.7967 -21.32 -23.7967 19.1978 -30.2184 -21.32 -30.2183 -20.1941 GPRESSAVG: 2263000 0.105755 -25.7902 -19.2377 -21.9547 19.7054 -31.1366 -21.933 -27.3541 -19.8103 TIMING: 2263000 CPU: 7224.73, 0.00315057/step Wall: 7224.73, 0.00315057/step, 2.39531 hours remaining, 241.117188 MB of memory in use. ENERGY: 2263000 4007.1553 20737.1123 14398.3610 233.7523 -203247.4429 2538.0839 0.0000 0.0000 51903.2002 -109429.7779 298.2884 -161332.9781 -109071.7967 299.6398 -43.7621 -14.9817 760447.5420 0.1381 0.0003 PRESSURE: 2263200 -3.42258 12.4643 -212.604 12.464 164.044 108.702 -212.603 108.701 418.755 GPRESSURE: 2263200 177.691 105.101 -270.765 84.6373 207.34 185.288 -198.54 83.0011 305.92 PRESSAVG: 2263200 8.53681 7.68489 4.27976 7.68489 1.58872 -35.5981 4.27974 -35.5982 21.7729 GPRESSAVG: 2263200 9.52164 8.95964 4.05013 9.13645 1.8 -34.3118 5.07428 -37.2448 21.2364 TIMING: 2263200 CPU: 7225.36, 0.00315603/step Wall: 7225.36, 0.00315603/step, 2.39929 hours remaining, 241.117188 MB of memory in use. ENERGY: 2263200 4004.6995 20610.7682 14460.0915 254.4775 -203376.3629 2540.6490 0.0000 0.0000 52125.3690 -109380.3083 299.5652 -161505.6773 -109016.4159 299.3691 193.1256 230.3168 760684.4010 10.6328 10.8527 PRESSURE: 2263400 236.67 207.183 -104.932 207.184 -394.122 -155.516 -104.932 -155.515 -292.796 GPRESSURE: 2263400 284.912 172.876 -133.037 171.116 -297.646 -93.8654 -118.871 -166.681 -329.303 PRESSAVG: 2263400 16.4903 -29.4484 -44.5856 -29.4482 -10.9759 -40.007 -44.5856 -40.007 -7.31606 GPRESSAVG: 2263400 16.9258 -30.2858 -45.6161 -31.0092 -12.8791 -41.4814 -45.9527 -38.5561 -6.69263 TIMING: 2263400 CPU: 7225.99, 0.00314816/step Wall: 7225.99, 0.00314816/step, 2.39313 hours remaining, 241.117188 MB of memory in use. ENERGY: 2263400 4103.9398 20562.9011 14398.2744 240.7172 -203278.3415 2288.3595 0.0000 0.0000 51989.1797 -109694.9697 298.7825 -161684.1494 -109328.7608 299.4400 -150.0826 -114.0122 761350.8196 -0.6006 -0.8820 PRESSURE: 2263600 209.372 43.7026 34.8107 43.7024 68.5037 -150.709 34.8112 -150.709 -104.642 GPRESSURE: 2263600 278.243 -3.75019 65.9594 -34.4035 72.753 -184.785 39.3184 -137.483 -77.0535 PRESSAVG: 2263600 26.061 -51.5846 0.974425 -51.5846 -38.0426 40.5508 0.974406 40.5508 6.87915 GPRESSAVG: 2263600 25.1265 -49.542 0.892711 -53.8353 -36.3025 41.6429 3.23571 40.2839 6.3845 TIMING: 2263600 CPU: 7226.62, 0.0031529/step Wall: 7226.62, 0.0031529/step, 2.39655 hours remaining, 241.117188 MB of memory in use. ENERGY: 2263600 4021.8975 20473.9793 14388.6532 263.1154 -203826.7856 2557.2875 0.0000 0.0000 52477.2032 -109644.6495 301.5872 -162121.8527 -109282.4980 299.1158 57.7447 91.3140 759236.9772 -1.7008 -1.5972 PRESSURE: 2263800 71.5952 1.5099 -79.9122 1.50966 -228.196 -155.101 -79.9122 -155.1 -436.281 GPRESSURE: 2263800 81.0944 -54.9765 -15.833 45.5622 -205.151 -214.73 -136.356 -135.917 -408.404 PRESSAVG: 2263800 59.49 -21.5315 30.5914 -21.5316 -59.0087 -16.5242 30.5913 -16.5242 -6.2835 GPRESSAVG: 2263800 60.2307 -24.3517 31.6224 -20.4203 -60.579 -15.0043 26.9004 -17.7576 -5.53612 TIMING: 2263800 CPU: 7227.26, 0.00318815/step Wall: 7227.26, 0.00318815/step, 2.42317 hours remaining, 241.117188 MB of memory in use. ENERGY: 2263800 3974.5663 20755.5177 14501.2763 255.6371 -203815.7022 2583.3312 0.0000 0.0000 52190.4486 -109554.9251 299.9392 -161745.3737 -109198.1096 299.5965 -197.6272 -177.4868 759744.4599 -1.9341 -1.9615 PRESSURE: 2264000 -298.746 -18.5299 2.66914 -18.5299 -59.2226 3.24871 2.66975 3.24804 13.9353 GPRESSURE: 2264000 -216.569 26.6358 2.70008 -4.05003 -10.3848 -72.6161 -47.5478 65.0922 -31.5654 PRESSAVG: 2264000 4.3242 -75.9435 -1.62197 -75.9435 1.82448 -3.54389 -1.62205 -3.54385 -14.2713 GPRESSAVG: 2264000 3.66005 -73.0225 -1.58273 -76.5594 2.03328 -5.97079 -1.39284 -2.07605 -13.9726 TIMING: 2264000 CPU: 7227.89, 0.00319046/step Wall: 7227.89, 0.00319046/step, 2.42475 hours remaining, 241.117188 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: 2264000 4037.0166 20695.9703 14504.8685 260.7428 -203401.8047 2619.8072 0.0000 0.0000 51900.1696 -109383.2296 298.2710 -161283.3992 -109025.7775 299.6303 -114.6778 -86.1730 760713.1330 -2.7075 -2.7598 PRESSURE: 2264200 -196.398 -180.431 -68.7557 -180.431 -88.5315 -84.5808 -68.7554 -84.5803 8.34938 GPRESSURE: 2264200 -193.898 -177.191 -134.821 -210.056 -13.9641 -45.7311 74.757 -74.6147 28.8861 PRESSAVG: 2264200 -43.0514 -100.336 -2.99903 -100.336 -9.1665 5.19443 -2.99909 5.1944 34.8193 GPRESSAVG: 2264200 -43.7746 -102.598 -3.37867 -98.9422 -8.41152 5.88325 -0.776962 4.03831 34.173 TIMING: 2264200 CPU: 7228.53, 0.00317868/step Wall: 7228.53, 0.00317868/step, 2.41562 hours remaining, 241.117188 MB of memory in use. ENERGY: 2264200 3999.6790 20685.2020 14461.4999 281.8756 -203186.4527 2456.2336 0.0000 0.0000 51980.6224 -109321.3401 298.7334 -161301.9625 -108964.4807 299.5182 -92.1935 -59.6588 762631.1213 -5.7995 -6.0044 LDB: ============= START OF LOAD BALANCING ============== 7240.98 LDB: ============== END OF LOAD BALANCING =============== 7240.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7240.98 LDB: ============= START OF LOAD BALANCING ============== 7241.3 LDB: Largest compute 7060 load 0.035638 is 18.3% of average load 0.195159 LDB: Average compute 0.004379 is 2.2% of average load 0.195159 LDB: TIME 7241.3 LOAD: AVG 0.195159 MAX 0.211785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.031 MB LDB: TIME 7241.3 LOAD: AVG 0.195159 MAX 0.211785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.031 MB LDB: TIME 7241.3 LOAD: AVG 0.195159 MAX 0.211785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.031 MB LDB: ============== END OF LOAD BALANCING =============== 7241.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7241.31 PRESSURE: 2264400 -193.323 -212.043 124.421 -212.044 120.009 97.4593 124.422 97.46 -68.5108 GPRESSURE: 2264400 -119.371 -131.673 167.863 -276.748 145.855 130.411 -57.2729 61.286 -81.6473 PRESSAVG: 2264400 -55.0123 -109.521 -39.7005 -109.521 94.1604 10.9387 -39.7004 10.9386 -2.00877 GPRESSAVG: 2264400 -55.0265 -110.748 -38.2672 -110.041 92.2943 11.6527 -42.1863 10.3547 -0.777553 TIMING: 2264400 CPU: 7229.18, 0.00323181/step Wall: 7229.18, 0.00323181/step, 2.45582 hours remaining, 240.039062 MB of memory in use. ENERGY: 2264400 3982.6000 20572.2239 14411.3550 221.1797 -203492.1902 2643.6865 0.0000 0.0000 52267.0913 -109394.0538 300.3797 -161661.1451 -109028.5722 299.8988 -47.2749 -18.3876 763421.8253 12.3798 12.1634 PRESSURE: 2264600 -259.001 103.502 -19.1057 103.503 -187.289 -5.25396 -19.1058 -5.2533 -303.093 GPRESSURE: 2264600 -228.202 71.8596 -11.0851 109.787 -166.435 85.369 34.2834 -106.966 -265.069 PRESSAVG: 2264600 39.5713 -63.1283 -7.6779 -63.1282 -42.1711 13.3337 -7.6779 13.3336 17.888 GPRESSAVG: 2264600 40.3656 -62.4561 -7.86116 -61.4792 -42.4169 13.0208 -9.19456 13.3035 17.4371 TIMING: 2264600 CPU: 7229.81, 0.00316135/step Wall: 7229.81, 0.00316135/step, 2.4021 hours remaining, 240.039062 MB of memory in use. ENERGY: 2264600 4036.5731 20428.7748 14469.8176 229.0573 -203095.0773 2283.5519 0.0000 0.0000 52244.9838 -109402.3187 300.2526 -161647.3025 -109037.6776 299.6819 -249.7943 -219.9019 761892.1580 5.0961 5.1286 PRESSURE: 2264800 -4.94828 107.618 -80.2891 107.619 -300.346 13.0866 -80.2888 13.087 -416.37 GPRESSURE: 2264800 9.942 32.291 -86.918 193.439 -218 8.15955 12.608 -63.836 -421.56 PRESSAVG: 2264800 50.5907 -48.7564 -63.3544 -48.7563 -40.1957 -3.36159 -63.3544 -3.36155 -12.9658 GPRESSAVG: 2264800 50.1582 -49.7357 -62.9642 -49.6435 -39.0624 -4.40302 -62.151 0.0519661 -13.5121 TIMING: 2264800 CPU: 7230.44, 0.00318278/step Wall: 7230.44, 0.00318278/step, 2.41821 hours remaining, 240.039062 MB of memory in use. ENERGY: 2264800 3963.0361 20518.8493 14507.3422 224.6831 -202904.0644 2346.5465 0.0000 0.0000 51900.2759 -109443.3312 298.2716 -161343.6071 -109084.0284 299.6664 -240.5547 -209.8727 762842.9830 -0.8569 -0.8054 PRESSURE: 2265000 38.6599 -18.3628 -115.504 -18.3639 74.8681 140.994 -115.504 140.994 445.589 GPRESSURE: 2265000 52.7898 24.3998 -164.964 -10.1164 146.899 92.3801 -247.779 74.4182 453.483 PRESSAVG: 2265000 -13.6912 -48.8425 -45.4984 -48.8426 45.3699 5.31658 -45.4983 5.31659 -15.0142 GPRESSAVG: 2265000 -13.0877 -49.3603 -45.1814 -49.398 45.6563 6.47742 -44.5893 0.681478 -16.0139 TIMING: 2265000 CPU: 7231.07, 0.00314991/step Wall: 7231.07, 0.00314991/step, 2.39306 hours remaining, 240.039062 MB of memory in use. ENERGY: 2265000 3905.9908 20471.2637 14402.4419 245.4784 -203323.8181 2341.5472 0.0000 0.0000 52229.3905 -109727.7057 300.1630 -161957.0961 -109361.8398 298.8138 186.3724 217.7239 760607.0086 5.5548 5.5182 PRESSURE: 2265200 -21.1219 136.829 144.175 136.829 305.493 -83.0301 144.175 -83.0293 -405.591 GPRESSURE: 2265200 -6.86042 173.291 148.995 140.959 312.943 -146.718 140.962 -214.094 -332.448 PRESSAVG: 2265200 -29.0345 -40.2693 15.4934 -40.2692 52.5078 5.97965 15.4935 5.97972 24.6878 GPRESSAVG: 2265200 -29.9602 -38.2946 13.8604 -39.0955 51.9154 5.52484 14.5607 9.29392 25.8127 TIMING: 2265200 CPU: 7231.71, 0.00317476/step Wall: 7231.71, 0.00317476/step, 2.41176 hours remaining, 240.039062 MB of memory in use. ENERGY: 2265200 4105.9240 20378.9825 14385.5199 249.0878 -203532.5828 2715.2054 0.0000 0.0000 52080.8107 -109617.0524 299.3091 -161697.8631 -109256.4930 298.9704 -40.4066 -8.7886 762170.9353 16.0537 15.9227 PRESSURE: 2265400 109.377 -186.942 79.6934 -186.942 -496.579 -66.6934 79.6935 -66.6942 -13.8741 GPRESSURE: 2265400 73.4866 -249.469 70.6362 -149.632 -355.812 -36.7954 45.4277 89.6663 -15.3641 PRESSAVG: 2265400 5.01611 -101.004 26.166 -101.004 32.4834 -16.2795 26.166 -16.2795 9.51521 GPRESSAVG: 2265400 3.61945 -101.584 26.7066 -102.663 33.5164 -17.4509 26.4352 -16.6309 9.83836 TIMING: 2265400 CPU: 7232.35, 0.00318806/step Wall: 7232.35, 0.00318806/step, 2.42168 hours remaining, 240.039062 MB of memory in use. ENERGY: 2265400 4052.5206 20510.3872 14412.5322 246.8331 -202857.5416 2086.3420 0.0000 0.0000 52074.0382 -109474.8884 299.2702 -161548.9265 -109114.3018 299.4437 -133.6921 -99.2299 759663.2170 15.6716 15.6581 PRESSURE: 2265600 -329.937 87.8026 -71.3289 87.803 -87.2427 20.6398 -71.3293 20.6396 -377.4 GPRESSURE: 2265600 -318.055 51.5802 -69.4534 146.114 -0.247887 -0.0238638 -93.8079 55.0816 -373.894 PRESSAVG: 2265600 34.5352 -39.895 20.009 -39.895 -5.38576 46.0747 20.0089 46.0746 -14.3445 GPRESSAVG: 2265600 35.0192 -39.4241 18.888 -39.1422 -6.73907 47.293 22.2353 45.0733 -13.21 TIMING: 2265600 CPU: 7232.99, 0.00320065/step Wall: 7232.99, 0.00320065/step, 2.43107 hours remaining, 240.039062 MB of memory in use. ENERGY: 2265600 4026.3035 20423.5462 14390.3283 255.1312 -203396.8726 2388.1486 0.0000 0.0000 52352.8158 -109560.5990 300.8724 -161913.4148 -109192.2632 299.0128 -264.8599 -230.7324 760530.0078 4.9350 5.0234 PRESSURE: 2265800 11.9949 -48.5989 228.892 -48.5994 14.0203 55.5031 228.892 55.5036 72.1391 GPRESSURE: 2265800 74.3147 -83.5716 291.582 -143.501 20.1262 8.48473 89.7153 33.2164 100.068 PRESSAVG: 2265800 26.0316 -36.0779 -7.88147 -36.0779 -2.0743 22.7804 -7.88141 22.7804 -3.33765 GPRESSAVG: 2265800 26.7118 -37.8193 -6.52792 -35.9055 -2.07352 22.2323 -10.8495 24.1755 -4.31138 TIMING: 2265800 CPU: 7233.62, 0.00317201/step Wall: 7233.62, 0.003172/step, 2.40914 hours remaining, 240.039062 MB of memory in use. ENERGY: 2265800 4003.5228 20484.1262 14395.0253 243.6679 -203643.5722 2903.6501 0.0000 0.0000 51910.4022 -109703.1777 298.3298 -161613.5799 -109345.5679 299.2405 32.7181 64.8364 761597.3195 6.8732 6.7756 PRESSURE: 2266000 11.7191 10.3658 -178.86 10.3651 145.326 200.21 -178.86 200.21 113.828 GPRESSURE: 2266000 0.993222 -66.9466 -257.041 44.2099 247.053 197.227 -49.1494 196.344 88.4198 PRESSAVG: 2266000 -4.90633 -48.4912 50.9698 -48.4912 23.3621 62.4609 50.9699 62.4608 3.20866 GPRESSAVG: 2266000 -4.26689 -47.6303 49.4419 -50.6595 23.6195 62.4687 52.6901 62.9918 2.44687 TIMING: 2266000 CPU: 7234.25, 0.00316679/step Wall: 7234.25, 0.00316679/step, 2.405 hours remaining, 240.039062 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: 2266000 3973.8316 20622.5590 14304.6157 245.9979 -203696.0854 2878.1786 0.0000 0.0000 51828.7148 -109842.1877 297.8603 -161670.9025 -109484.5343 299.1943 90.2908 112.1555 761175.4937 7.2215 7.2665 PRESSURE: 2266200 98.3374 -205.31 -44.5106 -205.31 -10.9988 -97.0984 -44.5103 -97.0986 93.8877 GPRESSURE: 2266200 98.0971 -223.976 -21.1147 -185.273 23.6329 -58.7009 28.177 -58.1661 137.474 PRESSAVG: 2266200 8.33989 -30.3452 9.97155 -30.3452 20.846 -12.4432 9.97152 -12.4432 6.20668 GPRESSAVG: 2266200 8.85462 -30.1502 11.5602 -28.8667 20.8539 -12.8843 11.7536 -13.3913 6.45208 TIMING: 2266200 CPU: 7234.89, 0.00317334/step Wall: 7234.89, 0.00317334/step, 2.4098 hours remaining, 240.039062 MB of memory in use. ENERGY: 2266200 4060.0066 20555.7167 14327.7739 247.2465 -203943.6444 3028.3664 0.0000 0.0000 52017.6321 -109706.9021 298.9460 -161724.5342 -109354.0415 298.8008 60.4088 86.4013 763562.3482 11.7975 12.0535 PRESSURE: 2266400 72.6544 -106.715 32.2152 -106.714 -204.636 -551.237 32.2156 -551.236 -207.906 GPRESSURE: 2266400 43.802 -110.145 -5.04539 -70.256 -185.348 -476.582 3.21057 -392.506 -126.133 PRESSAVG: 2266400 8.44873 -23.9717 -6.96531 -23.9717 17.548 -3.50372 -6.96535 -3.50371 1.25382 GPRESSAVG: 2266400 7.75325 -23.6108 -8.40301 -24.9101 17.8911 -3.66288 -9.94401 -2.81597 2.40327 TIMING: 2266400 CPU: 7235.53, 0.00320075/step Wall: 7235.53, 0.00320075/step, 2.43044 hours remaining, 240.039062 MB of memory in use. ENERGY: 2266400 3958.0534 20471.2480 14455.3507 252.2599 -203660.9383 2687.3329 0.0000 0.0000 52011.2052 -109825.4882 298.9091 -161836.6934 -109458.2475 298.6637 -113.2958 -89.2265 760443.3929 9.0835 9.3492 PRESSURE: 2266600 -494.284 -179.721 -50.5395 -179.721 -114.013 160.723 -50.5404 160.723 108.095 GPRESSURE: 2266600 -402.421 -159.067 -80.4765 -206.836 -197.46 85.3762 -34.9448 209.977 188.791 PRESSAVG: 2266600 -11.4204 -76.1896 -48.1303 -76.1896 -6.43195 -31.42 -48.1303 -31.42 8.12495 GPRESSAVG: 2266600 -10.4295 -75.4665 -46.3671 -75.5754 -6.60315 -30.623 -46.8215 -32.9818 7.72328 TIMING: 2266600 CPU: 7236.17, 0.00318326/step Wall: 7236.17, 0.00318326/step, 2.41698 hours remaining, 240.039062 MB of memory in use. ENERGY: 2266600 4008.5632 20423.6017 14398.3022 243.3991 -203088.8695 2304.5094 0.0000 0.0000 52027.1774 -109683.3165 299.0009 -161710.4938 -109317.8479 298.6358 -166.7341 -137.0300 764242.0742 -3.2425 -3.1031 PRESSURE: 2266800 -227.134 47.8113 9.07721 47.8114 -306.369 103.082 9.07723 103.082 210.672 GPRESSURE: 2266800 -178.301 10.5511 68.1081 23.1497 -297.059 89.2567 102.622 156.867 243.743 PRESSAVG: 2266800 -31.0536 -76.078 -23.2766 -76.078 38.794 -26.5025 -23.2766 -26.5026 -8.33947 GPRESSAVG: 2266800 -32.6707 -76.5291 -25.0979 -77.5526 40.7015 -27.5988 -23.1058 -25.1762 -8.1948 TIMING: 2266800 CPU: 7236.81, 0.00320186/step Wall: 7236.81, 0.00320186/step, 2.43093 hours remaining, 240.039062 MB of memory in use. ENERGY: 2266800 3940.5037 20551.7776 14426.1052 228.4867 -202656.1042 2238.9988 0.0000 0.0000 51887.7215 -109382.5106 298.1994 -161270.2322 -109021.2919 298.7512 -107.6102 -77.2059 763039.1340 -0.1997 -0.0547 PRESSURE: 2267000 -587.216 -17.0684 -38.7865 -17.0681 -271.284 -126.244 -38.7858 -126.244 -265.287 GPRESSURE: 2267000 -582.215 36.7952 -58.4739 -40.8294 -209.937 -130.168 -74.8187 -47.6405 -242.657 PRESSAVG: 2267000 -34.6103 -11.0536 13.2587 -11.0536 46.4417 -21.6747 13.2587 -21.6747 -9.28298 GPRESSAVG: 2267000 -34.7928 -12.2128 15.1893 -10.2315 46.5371 -20.776 11.5331 -21.2975 -9.48171 TIMING: 2267000 CPU: 7237.44, 0.00317414/step Wall: 7237.44, 0.00317414/step, 2.4097 hours remaining, 240.039062 MB of memory in use. ENERGY: 2267000 4085.6479 20510.3059 14328.2666 244.9316 -202769.0466 2205.3770 0.0000 0.0000 51976.5152 -109418.0023 298.7097 -161394.5175 -109050.9751 299.2394 -374.5958 -344.9365 761838.7021 0.8495 0.7542 PRESSURE: 2267200 339.531 -110.651 -82.0852 -110.651 35.0983 -27.9607 -82.0848 -27.9592 -1.90981 GPRESSURE: 2267200 330.706 -103.697 -86.5925 -61.3489 74.2197 80.6691 12.0172 -41.7408 54.62 PRESSAVG: 2267200 -41.7061 -71.0356 4.4498 -71.0356 45.0306 -5.43173 4.4498 -5.43164 -15.4069 GPRESSAVG: 2267200 -43.1958 -71.6337 3.09619 -70.8365 45.1109 -6.58304 5.35645 -6.60241 -14.0294 TIMING: 2267200 CPU: 7238.09, 0.00322048/step Wall: 7238.09, 0.00322048/step, 2.4447 hours remaining, 240.039062 MB of memory in use. ENERGY: 2267200 3965.9169 20612.9009 14325.8474 233.4685 -203344.2578 2642.4376 0.0000 0.0000 52297.4317 -109266.2548 300.5541 -161563.6865 -108902.2984 299.7462 124.2400 153.1819 762059.3005 -4.0275 -4.0381 PRESSURE: 2267400 130.288 -44.3518 -159.37 -44.3527 -202.403 135.503 -159.371 135.504 54.9404 GPRESSURE: 2267400 260.295 -27.386 -88.9042 -135.393 -136.498 226.927 -187.471 99.5968 -58.5145 PRESSAVG: 2267400 24.6892 -77.4808 12.3159 -77.4809 -39.2447 6.08183 12.3159 6.08179 0.959081 GPRESSAVG: 2267400 27.3124 -76.6989 12.4608 -77.9083 -40.1833 6.6324 13.7664 5.26485 -0.796034 TIMING: 2267400 CPU: 7238.73, 0.00320807/step Wall: 7238.73, 0.00320807/step, 2.43511 hours remaining, 240.039062 MB of memory in use. ENERGY: 2267400 4048.3704 20656.7172 14408.4401 237.7157 -203201.6724 2515.5051 0.0000 0.0000 52012.5337 -109322.3901 298.9167 -161334.9238 -108961.3843 299.6364 -5.7249 21.7609 761874.8023 -4.5321 -4.5556 PRESSURE: 2267600 -32.7986 76.4325 -248.036 76.4326 -6.46553 93.8924 -248.036 93.8919 326.529 GPRESSURE: 2267600 105.025 33.5315 -257.638 32.1576 -21.7069 138.339 -277.119 76.211 294.438 PRESSAVG: 2267600 66.6212 -82.6543 0.0971869 -82.6543 -55.4852 -19.1216 0.0972672 -19.1216 -0.276467 GPRESSAVG: 2267600 65.7219 -82.9751 0.651357 -81.0844 -54.2932 -19.0507 -3.25824 -17.9926 -0.140475 TIMING: 2267600 CPU: 7239.36, 0.0031788/step Wall: 7239.36, 0.0031788/step, 2.41271 hours remaining, 240.039062 MB of memory in use. ENERGY: 2267600 3985.6582 20643.7609 14406.8098 244.1949 -203459.0745 2633.0134 0.0000 0.0000 52132.3994 -109413.2379 299.6056 -161545.6373 -109067.3976 299.4439 95.7551 125.9186 761400.9215 3.6199 3.7628 PRESSURE: 2267800 -31.0228 -348.255 -12.7811 -348.254 -22.0514 30.2162 -12.7809 30.2175 -76.8704 GPRESSURE: 2267800 -52.7814 -376.118 14.6084 -331.016 25.9316 108.067 -63.877 -2.50875 -36.4484 PRESSAVG: 2267800 22.1167 -69.2476 -18.3939 -69.2475 -12.6066 32.3388 -18.3939 32.3388 6.81181 GPRESSAVG: 2267800 22.4799 -69.0955 -19.78 -70.0713 -13.7317 32.0594 -17.5751 33.7153 7.53518 TIMING: 2267800 CPU: 7240, 0.00321044/step Wall: 7240, 0.00321044/step, 2.43655 hours remaining, 240.039062 MB of memory in use. ENERGY: 2267800 3987.2923 20679.9741 14439.9751 270.4903 -203149.6671 2506.0426 0.0000 0.0000 51983.5056 -109282.3870 298.7499 -161265.8927 -108923.0216 299.3058 -43.3149 -21.0994 761238.5032 5.4406 5.4278 PRESSURE: 2268000 28.5568 -238.56 97.5752 -238.56 -273.944 85.7747 97.5746 85.7748 39.2782 GPRESSURE: 2268000 -13.0365 -225.308 55.9889 -267.454 -196.635 44.164 144.096 15.8852 91.3758 PRESSAVG: 2268000 -21.5903 -74.0128 26.436 -74.0128 32.701 73.8996 26.436 73.8996 -7.58226 GPRESSAVG: 2268000 -21.6229 -74.5477 27.889 -73.906 32.3529 73.9056 25.9677 71.6728 -7.06673 TIMING: 2268000 CPU: 7240.64, 0.00318026/step Wall: 7240.64, 0.00318026/step, 2.41346 hours remaining, 240.039062 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: 2268000 4034.0198 20682.0829 14363.8764 247.5439 -203321.4423 2449.9084 0.0000 0.0000 51959.0666 -109584.9442 298.6095 -161544.0109 -109223.6314 299.4503 -68.7032 -39.4319 759417.8641 1.1762 1.2211 PRESSURE: 2268200 135.775 -375.328 -130.636 -375.327 -25.683 -124.531 -130.636 -124.53 223.265 GPRESSURE: 2268200 223.761 -322.986 -156.627 -394.017 22.9058 -152.795 -205.598 -33.6267 189.969 PRESSAVG: 2268200 59.3893 -73.0128 21.0934 -73.0128 -31.1354 -7.63013 21.0934 -7.63018 45.6887 GPRESSAVG: 2268200 59.729 -73.0106 19.9019 -73.3723 -30.0345 -9.64677 22.5149 -4.48669 44.0675 TIMING: 2268200 CPU: 7241.27, 0.003149/step Wall: 7241.27, 0.003149/step, 2.38957 hours remaining, 240.039062 MB of memory in use. ENERGY: 2268200 3967.3677 20504.2946 14349.4909 255.8195 -203334.4966 2504.2248 0.0000 0.0000 52043.4813 -109709.8177 299.0946 -161753.2991 -109337.6412 299.1514 111.1191 145.5454 759569.8015 24.6475 24.5873 LDB: ============= START OF LOAD BALANCING ============== 7253.72 LDB: ============== END OF LOAD BALANCING =============== 7253.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7253.72 LDB: ============= START OF LOAD BALANCING ============== 7254.04 LDB: Largest compute 7076 load 0.034818 is 17.8% of average load 0.195392 LDB: Average compute 0.004412 is 2.3% of average load 0.195392 LDB: TIME 7254.04 LOAD: AVG 0.195392 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 7254.04 LOAD: AVG 0.195392 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 7254.04 LOAD: AVG 0.195392 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 7254.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7254.05 PRESSURE: 2268400 217.449 -64.2124 87.0344 -64.212 -39.6838 -17.626 87.0347 -17.6249 -462.648 GPRESSURE: 2268400 190.313 -37.1577 90.9751 -68.4578 -65.3812 -11.2675 75.2147 -159.61 -318.14 PRESSAVG: 2268400 42.4987 -53.5868 0.588185 -53.5868 -57.0229 -12.0329 0.588192 -12.0329 25.3224 GPRESSAVG: 2268400 42.8081 -52.8674 0.924763 -55.1654 -58.1964 -10.9667 0.564861 -13.8443 26.1742 TIMING: 2268400 CPU: 7241.91, 0.00321855/step Wall: 7241.91, 0.00321855/step, 2.44216 hours remaining, 239.527344 MB of memory in use. ENERGY: 2268400 3945.3772 20564.0446 14418.7176 251.7471 -203024.7809 2260.3285 0.0000 0.0000 51774.1740 -109810.3918 297.5469 -161584.5658 -109440.8696 298.7393 -94.9611 -64.4027 759391.4908 3.5994 3.5953 PRESSURE: 2268600 63.6821 94.6278 114.048 94.628 -709.235 -209.801 114.048 -209.8 -326.884 GPRESSURE: 2268600 3.49618 82.096 180.537 166.139 -570.606 -142.721 147.565 -205.847 -318.46 PRESSAVG: 2268600 60.8854 -75.2808 50.8312 -75.2807 -34.9548 -2.75207 50.8312 -2.75208 -21.5158 GPRESSAVG: 2268600 59.7906 -74.6007 52.6632 -74.8209 -34.1552 -1.3721 50.7787 -3.00344 -21.0985 TIMING: 2268600 CPU: 7242.55, 0.00318233/step Wall: 7242.55, 0.00318233/step, 2.41451 hours remaining, 239.730469 MB of memory in use. ENERGY: 2268600 3993.3025 20577.0049 14385.3700 237.7688 -203088.8599 2323.7685 0.0000 0.0000 52059.8240 -109511.8212 299.1885 -161571.6451 -109154.8854 299.1082 -324.1458 -295.1900 761212.6717 1.4716 1.5123 PRESSURE: 2268800 143.555 134.661 -104.787 134.662 196.217 194.18 -104.786 194.181 82.5009 GPRESSURE: 2268800 90.9632 83.0375 -74.2304 15.0075 225.66 164.85 -59.0727 96.4767 179.023 PRESSAVG: 2268800 13.0169 -54.7778 56.8409 -54.7778 -41.6576 -10.4327 56.8409 -10.4328 -18.3888 GPRESSAVG: 2268800 14.0852 -58.3674 56.4832 -53.8434 -42.3943 -11.8286 56.2369 -10.7998 -19.2793 TIMING: 2268800 CPU: 7243.18, 0.00316457/step Wall: 7243.18, 0.00316457/step, 2.40085 hours remaining, 239.730469 MB of memory in use. ENERGY: 2268800 3964.1595 20526.6336 14416.1356 240.4334 -203583.9681 2817.7649 0.0000 0.0000 51985.9085 -109632.9325 298.7637 -161618.8410 -109271.2542 299.4941 140.7576 165.2151 759541.0840 -15.6765 -15.8628 PRESSURE: 2269000 44.0617 -95.2133 92.9307 -95.2131 -266.144 -37.8608 92.9306 -37.8602 57.0644 GPRESSURE: 2269000 28.6763 -136.935 42.8245 -37.0864 -192.42 17.859 174.929 -48.8103 63.6579 PRESSAVG: 2269000 13.9501 -104.275 12.6147 -104.275 -7.99625 16.7423 12.6147 16.7422 -4.85151 GPRESSAVG: 2269000 14.1012 -103.098 12.3591 -102.603 -8.86824 16.8551 13.3835 16.6507 -4.34493 TIMING: 2269000 CPU: 7243.82, 0.00319854/step Wall: 7243.82, 0.00319854/step, 2.42645 hours remaining, 239.730469 MB of memory in use. ENERGY: 2269000 3948.6652 20508.1409 14492.0371 253.5985 -203314.8015 2414.4931 0.0000 0.0000 52086.2291 -109611.6376 299.3403 -161697.8667 -109240.0295 299.1843 -55.0060 -33.3620 761290.6174 0.3674 0.2960 PRESSURE: 2269200 109.891 -60.0158 -187.136 -60.0167 204.374 -152.009 -187.136 -152.008 -79.4235 GPRESSURE: 2269200 169.436 23.4312 -240.281 -101.11 265.903 -199.106 -133.315 -82.8949 -124.149 PRESSAVG: 2269200 32.3192 -79.4187 4.33437 -79.4187 -74.3719 -33.471 4.33429 -33.4709 -16.2768 GPRESSAVG: 2269200 33.2145 -77.7305 2.4599 -83.2513 -74.5204 -33.269 4.21245 -33.5561 -16.4588 TIMING: 2269200 CPU: 7244.45, 0.00315151/step Wall: 7244.45, 0.00315151/step, 2.3906 hours remaining, 239.730469 MB of memory in use. ENERGY: 2269200 3977.1779 20558.5302 14428.4776 270.1886 -203323.5183 2663.4367 0.0000 0.0000 52018.6922 -109407.0151 298.9521 -161425.7073 -109055.1448 299.2746 78.2805 103.7300 762585.2606 -19.4432 -19.2549 PRESSURE: 2269400 327.932 -233.259 -192.493 -233.258 123.552 -66.6076 -192.494 -66.6066 236.901 GPRESSURE: 2269400 253.939 -118.843 -218.456 -134.524 243.838 -48.325 -192.453 -198.074 269.523 PRESSAVG: 2269400 31.8967 -71.348 -17.8406 -71.348 1.48887 -10.1711 -17.8407 -10.1711 4.4665 GPRESSAVG: 2269400 30.7251 -71.8314 -17.0022 -68.6067 2.5844 -10.4829 -17.2938 -10.4368 4.18995 TIMING: 2269400 CPU: 7245.09, 0.00316231/step Wall: 7245.09, 0.00316231/step, 2.39861 hours remaining, 239.730469 MB of memory in use. ENERGY: 2269400 3979.1071 20600.8620 14430.5468 243.0603 -203251.2202 2803.8656 0.0000 0.0000 52022.9830 -109170.7955 298.9768 -161193.7785 -108813.6986 299.5451 229.4614 255.7668 762797.5923 12.6174 12.4998 PRESSURE: 2269600 333.238 -102.577 65.507 -102.576 -167.556 87.9673 65.5071 87.9663 -159.01 GPRESSURE: 2269600 312.701 -129.711 47.0268 -135.41 -75.4519 105.922 0.68087 99.2443 -163.745 PRESSAVG: 2269600 6.17357 -57.6243 40.2232 -57.6243 14.4735 50.8299 40.2232 50.83 -5.30611 GPRESSAVG: 2269600 6.0634 -56.9998 41.575 -61.3536 14.9112 51.8942 38.0465 48.7141 -5.75375 TIMING: 2269600 CPU: 7245.72, 0.00316823/step Wall: 7245.72, 0.00316823/step, 2.40293 hours remaining, 239.730469 MB of memory in use. ENERGY: 2269600 3897.7464 20467.7427 14410.3884 252.3262 -202995.9424 2684.3203 0.0000 0.0000 52173.3973 -109110.0211 299.8412 -161283.4184 -108739.6044 299.6543 2.2242 24.5013 761487.9776 5.1136 5.0736 PRESSURE: 2269800 264.755 -77.6563 -57.8162 -77.6572 452.024 179.356 -57.8167 179.358 -143.758 GPRESSURE: 2269800 234.221 -102.738 67.8869 -162.607 552.054 161.289 -78.5053 121.017 -131.152 PRESSAVG: 2269800 -2.23191 -80.6599 -3.7691 -80.6599 -29.0284 14.503 -3.76908 14.5031 9.08177 GPRESSAVG: 2269800 -1.93008 -79.4152 -2.9868 -78.8942 -29.5838 12.5854 -2.98929 17.9605 9.0655 TIMING: 2269800 CPU: 7246.35, 0.00315316/step Wall: 7246.35, 0.00315316/step, 2.39132 hours remaining, 239.730469 MB of memory in use. ENERGY: 2269800 4023.4208 20517.4037 14453.5106 234.8802 -203289.3390 2927.2006 0.0000 0.0000 51960.4095 -109172.5136 298.6172 -161132.9231 -108825.5631 299.4289 191.0073 218.3744 760190.9450 -7.3929 -7.4828 PRESSURE: 2270000 93.084 -84.7683 115.318 -84.7689 89.7782 -157.522 115.318 -157.523 -162.874 GPRESSURE: 2270000 87.7827 -77.9535 116.253 -54.5254 78.1406 -167.984 92.4888 -98.9484 -52.9623 PRESSAVG: 2270000 75.7221 -47.5921 -34.5635 -47.5922 22.8347 27.6425 -34.5635 27.6426 13.7218 GPRESSAVG: 2270000 75.8399 -51.1386 -35.974 -44.5914 22.6962 29.8361 -33.0052 26.0334 13.725 TIMING: 2270000 CPU: 7246.99, 0.00317225/step Wall: 7246.99, 0.00317225/step, 2.40562 hours remaining, 239.730469 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: 2270000 3865.2006 20540.2379 14476.3793 249.2859 -203005.6755 2518.9761 0.0000 0.0000 52112.1186 -109243.4770 299.4891 -161355.5956 -108869.1611 299.6676 6.6626 37.6537 760658.5051 37.4262 37.4204 PRESSURE: 2270200 73.284 -124.252 27.5109 -124.253 120.288 -236.26 27.5111 -236.26 -96.488 GPRESSURE: 2270200 118.288 -142.527 97.5322 -149.818 162.312 -163.653 -117.018 -142.5 -112.001 PRESSAVG: 2270200 21.077 -75.9089 21.7068 -75.9089 -42.2521 -17.6138 21.7068 -17.6138 -25.2898 GPRESSAVG: 2270200 21.651 -73.1402 21.6921 -78.7082 -41.6727 -18.9429 20.991 -15.98 -26.2128 TIMING: 2270200 CPU: 7247.61, 0.0031466/step Wall: 7247.61, 0.0031466/step, 2.386 hours remaining, 239.730469 MB of memory in use. ENERGY: 2270200 4023.5173 20518.4175 14425.8437 250.7222 -202802.4791 2381.1063 0.0000 0.0000 52021.2438 -109181.6283 298.9668 -161202.8720 -108837.5887 299.6919 32.3613 56.1996 759718.2593 -15.4883 -15.4115 PRESSURE: 2270400 278.731 -140.878 -207.038 -140.877 -201.713 81.1029 -207.038 81.1027 177.57 GPRESSURE: 2270400 312.442 -147.087 -190.131 -198.229 -119.464 72.2979 -237.075 185.778 153.317 PRESSAVG: 2270400 -0.838224 -49.0815 -42.641 -49.0815 -7.87068 10.3231 -42.641 10.3231 1.55954 GPRESSAVG: 2270400 -1.32327 -49.1499 -41.4889 -49.341 -7.89535 10.9143 -42.1055 10.1473 2.3642 TIMING: 2270400 CPU: 7248.25, 0.00315881/step Wall: 7248.25, 0.00315881/step, 2.39508 hours remaining, 239.730469 MB of memory in use. ENERGY: 2270400 3933.2512 20334.7905 14447.4267 255.5918 -203092.1388 2459.5621 0.0000 0.0000 52348.0913 -109313.4252 300.8452 -161661.5166 -108943.6357 299.6038 84.8628 115.4317 761294.9841 -2.3831 -2.2848 PRESSURE: 2270600 96.2924 80.132 22.5003 80.1328 156.988 169.836 22.5 169.835 -199.009 GPRESSURE: 2270600 67.5043 -40.2654 10.7839 87.3288 219.621 169.427 -50.2177 72.0601 -132 PRESSAVG: 2270600 4.26608 -71.0114 -7.61904 -71.0114 -10.3992 12.9451 -7.619 12.9451 -11.3669 GPRESSAVG: 2270600 3.61343 -72.0688 -7.67728 -69.7295 -10.5034 12.4213 -8.90604 11.8271 -10.3967 TIMING: 2270600 CPU: 7248.88, 0.00316452/step Wall: 7248.88, 0.00316452/step, 2.39923 hours remaining, 239.730469 MB of memory in use. ENERGY: 2270600 3958.0352 20519.2364 14433.9432 233.5425 -203144.1210 2730.2708 0.0000 0.0000 51987.6392 -109281.4538 298.7737 -161269.0930 -108923.3269 299.4951 18.0904 51.7082 761718.4333 -5.8334 -5.7622 PRESSURE: 2270800 151.57 -24.3407 120.386 -24.34 -49.0646 -15.6233 120.386 -15.6237 -96.6496 GPRESSURE: 2270800 199.369 -47.7497 61.9675 -33.9122 -33.9014 33.7653 102.11 -44.7686 -87.7212 PRESSAVG: 2270800 6.80439 -27.4343 -15.7967 -27.4343 -27.1361 42.1197 -15.7966 42.1197 1.79985 GPRESSAVG: 2270800 7.32513 -27.936 -15.0722 -27.3578 -28.2055 41.9534 -15.3087 42.3473 1.77507 TIMING: 2270800 CPU: 7249.51, 0.00315865/step Wall: 7249.51, 0.00315865/step, 2.39461 hours remaining, 239.730469 MB of memory in use. ENERGY: 2270800 3892.0463 20423.6218 14441.3977 252.6491 -203100.5401 2561.5222 0.0000 0.0000 52101.7619 -109427.5411 299.4295 -161529.3030 -109061.6672 299.3127 1.9521 25.9154 761096.6449 -6.1773 -6.3684 PRESSURE: 2271000 -81.1869 -19.3999 161.124 -19.3995 402.835 10.4762 161.123 10.4767 349.337 GPRESSURE: 2271000 35.4082 -141.401 128.976 -37.9251 391.386 -8.65868 123.415 60.2286 321.843 PRESSAVG: 2271000 -33.306 -32.4658 -42.5897 -32.4658 28.4758 -8.72613 -42.5897 -8.72613 3.11613 GPRESSAVG: 2271000 -33.0177 -32.8145 -43.6506 -33.3662 28.6907 -8.72956 -42.6656 -6.78611 2.61741 TIMING: 2271000 CPU: 7250.14, 0.0031584/step Wall: 7250.14, 0.0031584/step, 2.39424 hours remaining, 239.730469 MB of memory in use. ENERGY: 2271000 3953.1773 20454.5072 14367.2521 238.4054 -203090.0516 2546.9494 0.0000 0.0000 52256.2732 -109273.4869 300.3175 -161529.7601 -108915.1310 299.2233 223.6615 249.5457 759741.2152 -0.5714 -0.5699 PRESSURE: 2271200 168.755 58.1545 -353.998 58.1549 333.923 151.877 -353.998 151.876 -58.9123 GPRESSURE: 2271200 181.133 -57.7673 -347.044 131.609 310.721 203.799 -361.373 167.668 39.1746 PRESSAVG: 2271200 -12.5863 -85.399 11.7386 -85.3989 31.0825 -11.0801 11.7386 -11.08 -5.56306 GPRESSAVG: 2271200 -13.8546 -85.7204 13.221 -83.4666 31.5207 -10.8336 11.0716 -10.5833 -5.03132 TIMING: 2271200 CPU: 7250.77, 0.00315681/step Wall: 7250.77, 0.00315681/step, 2.39287 hours remaining, 239.730469 MB of memory in use. ENERGY: 2271200 3972.7115 20454.0579 14449.9153 269.9547 -203202.7432 2414.8830 0.0000 0.0000 52255.8539 -109385.3669 300.3151 -161641.2208 -109021.6133 299.4642 147.9222 177.0094 760616.9268 4.3111 4.2116 PRESSURE: 2271400 293.331 -86.4434 -50.6131 -86.444 60.2187 126.436 -50.6124 126.437 438.093 GPRESSURE: 2271400 290.257 -51.5989 -14.7799 -84.3264 57.6869 61.7772 -47.0575 125.119 526.064 PRESSAVG: 2271400 31.7016 -51.143 0.246989 -51.1431 -39.5504 62.6298 0.246946 62.6299 14.0346 GPRESSAVG: 2271400 32.1453 -51.7582 -0.922987 -52.8913 -38.731 63.6478 0.741806 61.5157 13.1165 TIMING: 2271400 CPU: 7251.41, 0.00318676/step Wall: 7251.41, 0.00318676/step, 2.41539 hours remaining, 239.730469 MB of memory in use. ENERGY: 2271400 3990.3676 20412.4521 14462.0451 225.7056 -203375.0121 2667.9022 0.0000 0.0000 52287.9628 -109328.5768 300.4996 -161616.5395 -108957.3275 300.0030 263.8810 291.3362 761323.5292 2.0620 2.1769 PRESSURE: 2271600 155.166 -6.65874 -68.7181 -6.65837 103.024 -2.63903 -68.7178 -2.63785 -238.511 GPRESSURE: 2271600 185.497 72.8209 -82.4522 -75.9481 111.076 -57.0975 66.8387 44.5343 -225.135 PRESSAVG: 2271600 -7.67242 -72.5764 35.5901 -72.5763 25.3537 24.9645 35.5901 24.9646 -10.2908 GPRESSAVG: 2271600 -7.87803 -70.7596 36.0805 -74.8381 23.544 23.3397 37.4326 26.2951 -8.71857 TIMING: 2271600 CPU: 7252.05, 0.00319126/step Wall: 7252.05, 0.00319126/step, 2.41862 hours remaining, 239.730469 MB of memory in use. ENERGY: 2271600 4009.5435 20470.4271 14510.6637 249.5745 -203665.1106 2743.4175 0.0000 0.0000 52158.1340 -109523.3502 299.7535 -161681.4843 -109169.4959 299.1494 6.5597 23.8126 761104.2453 2.4635 2.3158 PRESSURE: 2271800 -24.4092 -40.194 -28.2536 -40.1936 -601.045 -141.377 -28.2533 -141.376 53.9345 GPRESSURE: 2271800 7.77213 -50.3546 -133.969 47.1746 -527.872 -163.072 -33.3875 -26.6729 36.7931 PRESSAVG: 2271800 26.1849 -46.785 6.89877 -46.7849 -2.10054 7.8334 6.89884 7.8334 -2.91216 GPRESSAVG: 2271800 26.0646 -46.6494 7.7887 -43.9535 -1.91287 10.2341 4.12635 5.42394 -3.06702 TIMING: 2271800 CPU: 7252.68, 0.00317303/step Wall: 7252.68, 0.00317303/step, 2.40463 hours remaining, 239.730469 MB of memory in use. ENERGY: 2271800 3995.5315 20423.1659 14417.5736 228.7868 -203110.2112 2640.8079 0.0000 0.0000 51969.5038 -109434.8417 298.6695 -161404.3455 -109060.1391 298.7906 -190.5066 -161.1022 764436.0413 7.0574 7.0282 PRESSURE: 2272000 -232.664 93.2329 102.917 93.2333 -31.9765 27.4112 102.916 27.4124 -310.004 GPRESSURE: 2272000 -326.725 60.6987 182.677 -56.0649 77.0435 -3.4876 28.8085 -53.1737 -224.269 PRESSAVG: 2272000 -10.8337 -37.9196 -12.8199 -37.9196 -17.2204 28.1404 -12.82 28.1405 8.42751 GPRESSAVG: 2272000 -12.006 -39.6081 -13.733 -39.0755 -15.8777 27.1616 -11.9613 30.0596 8.08756 TIMING: 2272000 CPU: 7253.32, 0.00317544/step Wall: 7253.32, 0.00317544/step, 2.40628 hours remaining, 239.730469 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: 2272000 3973.3107 20499.3992 14485.2782 276.0465 -203284.1808 2616.2371 0.0000 0.0000 52063.4053 -109370.5038 299.2091 -161433.9091 -109014.8186 299.0152 -191.5483 -157.9834 762924.1626 -6.5422 -6.5987 PRESSURE: 2272200 -78.932 -56.8409 -119.342 -56.8409 82.9148 -215.644 -119.341 -215.644 -50.0964 GPRESSURE: 2272200 50.364 15.6787 -191.955 -70.6233 11.657 -233.738 -29.0241 -168.76 -19.8702 PRESSAVG: 2272200 -4.34016 -43.0929 -52.9247 -43.0929 -3.78335 39.731 -52.9248 39.731 -2.12522 GPRESSAVG: 2272200 -1.90554 -40.5598 -51.7147 -43.5025 -5.50346 40.4136 -53.2183 38.7364 -2.71673 TIMING: 2272200 CPU: 7253.95, 0.00317549/step Wall: 7253.95, 0.00317549/step, 2.40614 hours remaining, 239.730469 MB of memory in use. ENERGY: 2272200 4004.0204 20407.6065 14462.7918 231.3438 -203215.4330 2523.3509 0.0000 0.0000 51882.4191 -109703.9006 298.1690 -161586.3196 -109343.5738 299.0699 -15.3712 14.0503 764002.5682 -3.4162 -3.3752 LDB: ============= START OF LOAD BALANCING ============== 7266.41 LDB: ============== END OF LOAD BALANCING =============== 7266.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7266.41 LDB: ============= START OF LOAD BALANCING ============== 7266.73 LDB: Largest compute 7059 load 0.034606 is 17.7% of average load 0.195280 LDB: Average compute 0.004392 is 2.2% of average load 0.195280 LDB: TIME 7266.73 LOAD: AVG 0.19528 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 7266.73 LOAD: AVG 0.19528 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 7266.73 LOAD: AVG 0.19528 MAX 0.212798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 7266.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7266.74 PRESSURE: 2272400 -63.639 -73.5297 -125.97 -73.5298 -61.8389 -62.027 -125.971 -62.0263 48.3569 GPRESSURE: 2272400 -11.2621 -150.24 -119.216 -27.9788 -124.202 -33.7218 -67.3875 -171.404 126.448 PRESSAVG: 2272400 39.0622 -37.956 -69.3538 -37.956 -14.9322 -24.2309 -69.3538 -24.231 13.8511 GPRESSAVG: 2272400 38.599 -40.2645 -72.3982 -36.1265 -13.4461 -24.855 -68.4114 -22.5514 13.3583 TIMING: 2272400 CPU: 7254.6, 0.00322996/step Wall: 7254.6, 0.00322996/step, 2.44723 hours remaining, 241.117188 MB of memory in use. ENERGY: 2272400 3971.6095 20367.5517 14397.6371 242.1084 -203486.2576 2725.7725 0.0000 0.0000 51887.6341 -109893.9442 298.1989 -161781.5783 -109529.0754 298.1535 -25.7070 -3.0055 761777.6517 12.6603 12.8371 PRESSURE: 2272600 307.51 241.901 154.725 241.901 -29.2993 -2.4294 154.725 -2.42989 -282.112 GPRESSURE: 2272600 304.839 280.175 223.908 0.113516 -7.57214 60.647 29.8294 -7.22111 -209.848 PRESSAVG: 2272600 23.2066 -7.28131 -30.5 -7.28134 1.79036 20.0975 -30.5 20.0975 7.17786 GPRESSAVG: 2272600 22.7737 -8.38602 -29.7012 -10.0112 2.06476 21.0316 -28.8436 19.1105 7.44196 TIMING: 2272600 CPU: 7255.23, 0.00316289/step Wall: 7255.23, 0.00316289/step, 2.39624 hours remaining, 241.117188 MB of memory in use. ENERGY: 2272600 4006.7461 20298.7367 14472.6811 246.1861 -203176.7526 2605.1425 0.0000 0.0000 51822.5199 -109724.7402 297.8247 -161547.2601 -109362.9497 298.3233 -1.3005 29.1397 762785.2129 10.7249 10.7602 PRESSURE: 2272800 -76.5279 -49.7888 -70.6673 -49.7886 -221.311 117.592 -70.6674 117.592 -50.9255 GPRESSURE: 2272800 -88.1181 -65.0111 -90.326 106.258 -134.03 111.045 -157.322 106.614 -46.1615 PRESSAVG: 2272800 -19.5404 -10.7486 -3.87029 -10.7486 -11.0866 -63.5152 -3.87031 -63.5151 1.7246 GPRESSAVG: 2272800 -19.2783 -11.4053 -3.2282 -8.75712 -11.6425 -65.7288 -6.05195 -63.7376 1.49997 TIMING: 2272800 CPU: 7255.86, 0.00314569/step Wall: 7255.86, 0.00314569/step, 2.38303 hours remaining, 241.117188 MB of memory in use. ENERGY: 2272800 3943.4758 20481.1930 14420.7440 246.7173 -203198.5031 2604.3201 0.0000 0.0000 51846.5957 -109655.4573 297.9631 -161502.0530 -109283.7564 298.6206 -116.2547 -89.4366 763420.0983 -9.6341 -9.8069 PRESSURE: 2273000 -172.107 -153.818 155.041 -153.818 -227.836 200.413 155.042 200.412 102.132 GPRESSURE: 2273000 -190.657 -130.323 192.971 1.17094 -103.625 216.59 156.938 187.562 74.4422 PRESSAVG: 2273000 -12.1337 -12.8314 -29.5056 -12.8314 27.9989 -4.15291 -29.5056 -4.15293 -9.56315 GPRESSAVG: 2273000 -14.0113 -10.665 -30.4109 -12.044 28.9333 -3.12602 -27.8824 -4.62796 -8.85783 TIMING: 2273000 CPU: 7256.5, 0.00317694/step Wall: 7256.5, 0.00317694/step, 2.40653 hours remaining, 241.117188 MB of memory in use. ENERGY: 2273000 4007.8009 20433.9630 14421.2276 274.3543 -203263.8297 2622.6381 0.0000 0.0000 51739.8136 -109764.0323 297.3494 -161503.8459 -109402.0186 298.0911 -99.2704 -73.2801 763034.2112 2.1007 2.0214 PRESSURE: 2273200 117.848 -36.6495 -116.097 -36.6493 -43.5722 -219.273 -116.096 -219.273 166.15 GPRESSURE: 2273200 145.96 -58.0937 -120.16 -139.508 -48.4992 -155.484 -205.402 -213.38 236.911 PRESSAVG: 2273200 -44.4989 27.8197 -3.04612 27.8196 -9.74992 1.55446 -3.04611 1.55441 12.8961 GPRESSAVG: 2273200 -42.4905 28.2643 -2.65277 26.0677 -10.3482 2.69224 -5.30667 0.549525 11.7198 TIMING: 2273200 CPU: 7257.13, 0.00315491/step Wall: 7257.13, 0.00315491/step, 2.38967 hours remaining, 241.117188 MB of memory in use. ENERGY: 2273200 3978.5232 20509.1563 14394.6314 262.8729 -203860.3500 3123.1039 0.0000 0.0000 51945.7557 -109646.3065 298.5330 -161592.0622 -109288.0143 298.7362 80.1420 111.4572 761746.2155 -13.7842 -13.7063 PRESSURE: 2273400 154.226 -242.268 153.564 -242.269 300.569 2.25179 153.565 2.25181 -274.48 GPRESSURE: 2273400 298.181 -143.378 129.191 -116.873 271.357 -12.9003 34.7708 -32.9923 -303.229 PRESSAVG: 2273400 8.20036 -12.5478 13.1803 -12.5478 23.4434 61.9345 13.1803 61.9345 0.377788 GPRESSAVG: 2273400 7.65599 -13.5994 13.036 -12.9242 23.0347 59.2233 13.3752 64.9212 1.08474 TIMING: 2273400 CPU: 7257.76, 0.00316141/step Wall: 7257.76, 0.00316141/step, 2.39442 hours remaining, 241.117188 MB of memory in use. ENERGY: 2273400 3933.8328 20451.1924 14451.9752 241.6519 -203508.8990 2616.3832 0.0000 0.0000 52255.6970 -109558.1665 300.3142 -161813.8635 -109190.8277 299.7042 60.1052 88.7694 759710.1509 10.6738 10.5918 PRESSURE: 2273600 344.51 183.072 178.479 183.072 360.386 232.594 178.478 232.596 78.5454 GPRESSURE: 2273600 452.885 128.828 230.493 165.834 325.706 165.458 77.7538 123.334 92.4563 PRESSAVG: 2273600 31.7903 -51.1524 -2.70126 -51.1524 2.25524 2.42792 -2.70128 2.42796 9.96855 GPRESSAVG: 2273600 31.3945 -51.9442 -2.71748 -51.7541 2.73093 5.92711 -3.18143 0.660599 10.0728 TIMING: 2273600 CPU: 7258.39, 0.00314933/step Wall: 7258.39, 0.00314933/step, 2.3851 hours remaining, 241.117188 MB of memory in use. ENERGY: 2273600 3943.1117 20556.2039 14444.7619 239.2052 -203579.1801 2704.9753 0.0000 0.0000 52139.7936 -109551.1285 299.6481 -161690.9221 -109177.0713 299.3653 261.1472 290.3492 759142.2776 14.6714 14.7327 PRESSURE: 2273800 -162.039 -92.531 -21.794 -92.5309 -15.8509 163.648 -21.7954 163.648 90.6 GPRESSURE: 2273800 -120.123 -13.9263 -16.5199 -160.599 8.46936 174.892 -63.889 153.18 107.562 PRESSAVG: 2273800 -19.9022 -63.9591 6.14305 -63.9591 9.49409 -50.238 6.14304 -50.2381 -15.7514 GPRESSAVG: 2273800 -18.2595 -61.9095 7.16502 -64.253 7.75777 -51.4488 5.95857 -49.1017 -15.4711 TIMING: 2273800 CPU: 7259.02, 0.00314701/step Wall: 7259.02, 0.00314701/step, 2.38316 hours remaining, 241.117188 MB of memory in use. ENERGY: 2273800 3962.4271 20533.2928 14463.6167 249.8512 -203749.1219 2813.0295 0.0000 0.0000 52029.9732 -109696.9314 299.0170 -161726.9046 -109345.3205 299.0706 -29.0965 -1.3637 760745.1208 -8.7199 -8.6576 PRESSURE: 2274000 20.2658 15.0017 -133.972 15.0029 -237.3 -124.53 -133.972 -124.531 101.246 GPRESSURE: 2274000 6.74969 65.9958 -117.812 -66.0819 -169.584 -63.7905 -102.207 -84.67 116.938 PRESSAVG: 2274000 1.14472 20.1885 -23.8744 20.1885 52.5778 -60.8545 -23.8744 -60.8544 5.0825 GPRESSAVG: 2274000 0.15587 17.9365 -24.2569 21.8631 55.1021 -60.8779 -21.1019 -62.2804 3.66975 TIMING: 2274000 CPU: 7259.65, 0.00313405/step Wall: 7259.65, 0.00313405/step, 2.37318 hours remaining, 241.117188 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: 2274000 4015.7248 20528.5595 14456.6561 255.2589 -203990.2636 2843.3463 0.0000 0.0000 52223.4666 -109667.2514 300.1290 -161890.7180 -109306.6349 299.6836 -38.5963 -15.2987 758823.9830 19.6017 19.6426 PRESSURE: 2274200 -261.219 68.2578 115.571 68.2576 -243.161 141.902 115.572 141.901 -121.737 GPRESSURE: 2274200 -156.592 143.733 26.5147 76.2664 -246.388 114.33 54.8416 54.4088 -155.807 PRESSAVG: 2274200 -10.3364 -31.5612 11.7729 -31.5612 -1.70608 1.3815 11.773 1.38144 13.5338 GPRESSAVG: 2274200 -9.6654 -29.8355 11.1528 -33.9125 -2.22975 0.829958 9.95811 1.0595 13.596 TIMING: 2274200 CPU: 7260.28, 0.00315541/step Wall: 7260.28, 0.00315541/step, 2.38917 hours remaining, 241.117188 MB of memory in use. ENERGY: 2274200 4053.5121 20514.0751 14458.1510 246.2060 -203233.4056 2098.4793 0.0000 0.0000 52164.7096 -109698.2727 299.7913 -161862.9822 -109325.7280 299.1871 -208.7057 -186.2624 759564.7907 0.4971 0.5669 PRESSURE: 2274400 -366.112 -276.321 -91.1965 -276.322 -260.429 43.3946 -91.1967 43.3939 -324.789 GPRESSURE: 2274400 -305.81 -184.892 -74.3713 -87.7845 -193.421 36.0486 0.515694 73.8692 -360.184 PRESSAVG: 2274400 60.734 9.33042 27.3458 9.33043 -72.8394 -1.19094 27.3457 -1.1909 9.22421 GPRESSAVG: 2274400 60.6405 8.4 29.3098 11.4043 -72.9226 -0.677703 27.5347 1.51956 9.3639 TIMING: 2274400 CPU: 7260.91, 0.00315879/step Wall: 7260.91, 0.00315879/step, 2.39156 hours remaining, 241.117188 MB of memory in use. ENERGY: 2274400 4102.9596 20462.9632 14406.9271 258.3434 -203518.6233 2450.6415 0.0000 0.0000 51953.7896 -109882.9989 298.5791 -161836.7885 -109531.5629 298.7451 -317.1096 -286.4716 761497.6003 -0.9604 -0.9727 PRESSURE: 2274600 2.2025 -113.709 8.914 -113.71 -4.85306 -22.7915 8.9144 -22.7908 -149.475 GPRESSURE: 2274600 62.6305 -76.3035 28.5029 -189.574 34.7564 38.1784 -54.4789 -13.4742 -154.734 PRESSAVG: 2274600 65.0296 -11.4186 -69.4178 -11.4186 -28.7131 9.18518 -69.4177 9.18526 -14.0985 GPRESSAVG: 2274600 64.0303 -9.37368 -71.9597 -13.4745 -28.1893 9.44788 -69.257 8.14164 -13.5666 TIMING: 2274600 CPU: 7261.54, 0.00316338/step Wall: 7261.54, 0.00316338/step, 2.39485 hours remaining, 241.117188 MB of memory in use. ENERGY: 2274600 3995.0481 20518.1881 14407.8597 235.7713 -203722.0901 2663.8854 0.0000 0.0000 52174.9317 -109726.4058 299.8500 -161901.3375 -109360.3704 298.6703 -50.7085 -19.1157 761851.8452 7.4060 7.4248 PRESSURE: 2274800 286.287 -60.7642 133.008 -60.7652 463.414 141.532 133.008 141.531 436.23 GPRESSURE: 2274800 302.399 -6.76924 176.978 -57.4019 500.992 14.7653 69.5108 88.7227 472.307 PRESSAVG: 2274800 -0.298039 -35.8332 29.1269 -35.8332 14.6472 12.9749 29.1268 12.9749 -11.6176 GPRESSAVG: 2274800 -1.06856 -36.7698 29.0137 -34.6148 14.6196 11.8733 28.453 12.702 -10.7085 TIMING: 2274800 CPU: 7262.18, 0.00318744/step Wall: 7262.18, 0.00318744/step, 2.41289 hours remaining, 241.117188 MB of memory in use. ENERGY: 2274800 4003.2445 20594.8189 14419.8772 246.1769 -204235.4051 3025.1533 0.0000 0.0000 52170.0135 -109776.1209 299.8218 -161946.1344 -109411.4322 299.2544 395.3104 425.2329 760016.7345 0.9105 0.9475 PRESSURE: 2275000 -515.417 -196.743 418.02 -196.743 367.963 -20.236 418.02 -20.2352 228.99 GPRESSURE: 2275000 -375.397 -188.741 310.46 -197.163 273.63 -62.3764 447.242 54.3252 298.455 PRESSAVG: 2275000 15.6039 -27.7741 26.699 -27.7741 -2.74878 -9.64096 26.699 -9.641 25.7502 GPRESSAVG: 2275000 17.76 -27.6473 28.0084 -28.3999 -3.21337 -8.50768 27.3914 -9.63995 23.5016 TIMING: 2275000 CPU: 7262.82, 0.00318916/step Wall: 7262.82, 0.00318916/step, 2.41402 hours remaining, 241.117188 MB of memory in use. ENERGY: 2275000 3993.5717 20724.7664 14435.4573 253.7798 -203786.7476 2658.0151 0.0000 0.0000 52021.0644 -109700.0929 298.9658 -161721.1573 -109337.6634 299.4154 27.1787 65.5629 762613.3367 12.8684 12.6828 PRESSURE: 2275200 3.52164 100.169 268.339 100.169 -275.695 -27.1715 268.339 -27.1716 -268.79 GPRESSURE: 2275200 -13.7182 57.1729 248.405 167.922 -163.749 -100.329 390.18 -101.867 -290.497 PRESSAVG: 2275200 -17.4757 -28.2995 -8.17803 -28.2995 46.978 1.05292 -8.17804 1.05292 -9.81758 GPRESSAVG: 2275200 -18.179 -30.0853 -8.66555 -29.3123 46.3639 0.510175 -6.65851 0.958413 -8.39103 TIMING: 2275200 CPU: 7263.45, 0.00316207/step Wall: 7263.45, 0.00316207/step, 2.39334 hours remaining, 241.117188 MB of memory in use. ENERGY: 2275200 4067.2435 20520.7626 14451.0570 246.2741 -203830.6428 2816.6424 0.0000 0.0000 52201.7366 -109526.9267 300.0041 -161728.6633 -109170.1444 299.8297 -180.3211 -155.9881 761077.9632 6.5616 6.5980 PRESSURE: 2275400 108.661 -18.8719 -110.458 -18.8727 -261.479 -140.667 -110.459 -140.667 -204.976 GPRESSURE: 2275400 97.201 31.3981 -146.387 17.9696 -245.008 -117.596 -54.3349 -135.742 -138.377 PRESSAVG: 2275400 23.2133 -39.5186 18.3135 -39.5186 -47.5315 -7.3853 18.3135 -7.38524 10.3854 GPRESSAVG: 2275400 22.7473 -38.5417 18.4992 -37.2796 -46.651 -6.05355 17.0606 -8.1534 9.96133 TIMING: 2275400 CPU: 7264.09, 0.00321789/step Wall: 7264.09, 0.00321789/step, 2.43541 hours remaining, 241.117188 MB of memory in use. ENERGY: 2275400 4070.5406 20513.3448 14501.8423 248.9557 -203285.7540 2593.1356 0.0000 0.0000 52041.5997 -109316.3354 299.0838 -161357.9351 -108947.5137 300.0290 -119.2645 -95.3945 762191.9650 -4.6443 -4.6475 PRESSURE: 2275600 -354.95 102.623 -118.088 102.623 -269.752 95.7867 -118.087 95.7865 -163.388 GPRESSURE: 2275600 -176.704 179.696 -39.4759 158.119 -301.246 62.133 -26.7921 -33.5595 -194.663 PRESSAVG: 2275600 49.0517 -48.0295 -46.2501 -48.0295 -55.995 -30.1402 -46.2501 -30.1402 -3.90714 GPRESSAVG: 2275600 49.652 -47.5934 -47.3283 -48.5382 -55.5384 -29.8238 -45.7319 -29.7722 -4.40067 TIMING: 2275600 CPU: 7264.74, 0.00320909/step Wall: 7264.74, 0.00320909/step, 2.42857 hours remaining, 241.117188 MB of memory in use. ENERGY: 2275600 4006.2739 20373.7701 14418.4623 270.9733 -203650.1746 2785.7357 0.0000 0.0000 52340.7718 -109454.1875 300.8031 -161794.9594 -109087.1982 299.8249 -262.6967 -224.2044 762127.2458 -3.6168 -3.4290 PRESSURE: 2275800 207.693 -86.3868 58.1646 -86.3864 169.186 217.916 58.1645 217.916 753.8 GPRESSURE: 2275800 191.869 -182.346 13.0481 -52.4307 184.591 258.543 120.883 88.0984 812.951 PRESSAVG: 2275800 32.5455 -10.5582 44.0486 -10.5582 -7.15772 27.1341 44.0485 27.1341 22.89 GPRESSAVG: 2275800 32.0987 -10.8484 43.5767 -11.1233 -7.34829 28.1019 43.4236 25.2313 23.3389 TIMING: 2275800 CPU: 7265.37, 0.00319009/step Wall: 7265.37, 0.00319009/step, 2.41401 hours remaining, 241.117188 MB of memory in use. ENERGY: 2275800 3988.0693 20429.2885 14439.3500 233.8628 -203198.3021 2659.3891 0.0000 0.0000 52112.2832 -109336.0593 299.4900 -161448.3425 -108967.9045 299.6418 376.8931 396.4704 762174.6999 16.0926 16.0298 PRESSURE: 2276000 -0.0111496 -105.829 108.937 -105.829 -121.901 163.809 108.936 163.808 -60.8156 GPRESSURE: 2276000 -33.5316 -87.8814 129.913 -36.7499 -69.4514 123.556 -7.03993 206.006 3.44387 PRESSAVG: 2276000 -1.61211 25.9216 16.9332 25.9216 -7.41644 -65.6321 16.9333 -65.6321 -1.2817 GPRESSAVG: 2276000 -1.7407 27.6169 17.3396 27.1223 -7.38589 -66.1204 16.0647 -64.8134 -1.42046 TIMING: 2276000 CPU: 7266.01, 0.00317292/step Wall: 7266.01, 0.00317292/step, 2.40084 hours remaining, 241.117188 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: 2276000 3958.1602 20537.2236 14464.5126 266.1131 -202888.3984 2437.8158 0.0000 0.0000 51897.1727 -109327.4004 298.2538 -161224.5731 -108979.6663 299.8613 -60.9092 -33.1797 761926.8162 -3.4367 -3.5157 PRESSURE: 2276200 -174.308 -169.29 16.4092 -169.29 1.71445 -154.008 16.4092 -154.006 -57.355 GPRESSURE: 2276200 -106.225 -151.669 51.3246 -212.555 38.829 -175.625 -151.015 -131.206 -33.6605 PRESSAVG: 2276200 26.1766 -35.5365 -30.5508 -35.5365 -12.1657 20.5274 -30.5508 20.5275 25.6375 GPRESSAVG: 2276200 25.0002 -36.5233 -31.282 -35.7362 -12.1475 19.9756 -28.8767 21.9037 26.3943 TIMING: 2276200 CPU: 7266.64, 0.00316999/step Wall: 7266.64, 0.00316999/step, 2.39845 hours remaining, 241.117188 MB of memory in use. ENERGY: 2276200 3904.0234 20411.0854 14419.2224 234.2222 -202967.1660 2325.0213 0.0000 0.0000 52266.8046 -109406.7867 300.3780 -161673.5913 -109044.5162 299.6325 -76.6496 -33.6855 761286.1366 13.2161 13.0823 LDB: ============= START OF LOAD BALANCING ============== 7279.09 LDB: ============== END OF LOAD BALANCING =============== 7279.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7279.1 LDB: ============= START OF LOAD BALANCING ============== 7279.41 LDB: Largest compute 7057 load 0.034996 is 17.9% of average load 0.195256 LDB: Average compute 0.004393 is 2.2% of average load 0.195256 LDB: TIME 7279.42 LOAD: AVG 0.195256 MAX 0.212313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 7279.42 LOAD: AVG 0.195256 MAX 0.212313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 7279.42 LOAD: AVG 0.195256 MAX 0.212313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 7279.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7279.42 PRESSURE: 2276400 -347.676 -303.987 -108.055 -303.986 -113.462 125.986 -108.055 125.986 -81.7326 GPRESSURE: 2276400 -282.823 -300.259 -132.572 -296.192 -88.9174 135.087 -88.0394 79.8609 -104.751 PRESSAVG: 2276400 9.03914 -81.4682 0.59601 -81.4681 1.67022 -23.2249 0.59599 -23.2249 -6.83626 GPRESSAVG: 2276400 10.3686 -82.1456 1.86184 -81.9797 1.58119 -22.0589 -0.312561 -25.2326 -7.25231 TIMING: 2276400 CPU: 7267.29, 0.0032277/step Wall: 7267.29, 0.0032277/step, 2.44194 hours remaining, 240.605469 MB of memory in use. ENERGY: 2276400 3950.2936 20530.4828 14415.0027 251.1519 -203147.2677 2639.8468 0.0000 0.0000 51926.2179 -109434.2719 298.4207 -161360.4899 -109072.5047 299.3730 -180.9567 -158.8303 760732.4148 1.2910 1.5658 PRESSURE: 2276600 114.142 -218.563 -186.871 -218.563 57.2832 -92.7458 -186.871 -92.7455 292.729 GPRESSURE: 2276600 133.704 -214.798 -204.596 -281.285 172.591 -64.8498 -100.009 -105.549 246.732 PRESSAVG: 2276600 32.9638 -85.4632 -27.8195 -85.4633 12.9846 -25.8813 -27.8196 -25.8813 -8.74649 GPRESSAVG: 2276600 32.4187 -86.4727 -27.4497 -84.7714 13.3609 -28.5924 -28.1012 -23.9017 -8.40879 TIMING: 2276600 CPU: 7267.92, 0.00318721/step Wall: 7267.92, 0.00318721/step, 2.41112 hours remaining, 240.675781 MB of memory in use. ENERGY: 2276600 3959.0320 20423.9430 14378.5661 222.9570 -203498.3442 2670.7784 0.0000 0.0000 52153.1360 -109689.9317 299.7248 -161843.0677 -109327.2633 299.2569 154.7183 184.3421 761875.6986 12.4007 12.4569 PRESSURE: 2276800 -178.936 -98.1491 -211.599 -98.1493 -139.306 -231.212 -211.598 -231.212 -224.006 GPRESSURE: 2276800 -168.928 12.3075 -168.261 -255.674 -69.1896 -174.958 -70.669 -130.307 -223.105 PRESSAVG: 2276800 -41.8919 -20.6864 11.2542 -20.6864 5.36623 5.3483 11.2542 5.34836 21.0328 GPRESSAVG: 2276800 -40.9665 -18.9998 9.89994 -21.9044 5.35217 8.28564 13.6155 6.054 20.7711 TIMING: 2276800 CPU: 7268.56, 0.00318566/step Wall: 7268.56, 0.00318566/step, 2.40977 hours remaining, 240.675781 MB of memory in use. ENERGY: 2276800 3943.9492 20583.7881 14342.3391 245.9709 -203335.9104 2604.4484 0.0000 0.0000 52024.1631 -109591.2516 298.9836 -161615.4147 -109238.4926 299.1352 -180.7496 -153.7410 762913.5660 -5.1643 -4.9477 PRESSURE: 2277000 306.636 -109.336 29.1508 -109.336 -78.8642 -306.661 29.1511 -306.661 -121.56 GPRESSURE: 2277000 274.205 -62.29 -32.8996 -114.83 25.8102 -239.827 59.662 -127.022 -127.179 PRESSAVG: 2277000 -2.80973 -17.9743 10.6618 -17.9742 8.0539 -20.3014 10.6618 -20.3014 -24.5737 GPRESSAVG: 2277000 -3.76236 -17.2044 9.39248 -17.795 9.62087 -21.6812 10.0639 -19.2867 -25.0498 TIMING: 2277000 CPU: 7269.19, 0.00316303/step Wall: 7269.19, 0.00316303/step, 2.39248 hours remaining, 240.675781 MB of memory in use. ENERGY: 2277000 3942.1123 20426.2191 14366.9068 255.1975 -202979.4678 2400.8035 0.0000 0.0000 51929.0250 -109659.2035 298.4368 -161588.2285 -109293.8157 299.2988 35.4039 57.6121 763544.6902 -6.4432 -6.3971 PRESSURE: 2277200 -241.824 156.716 151.596 156.716 -196.624 46.2168 151.597 46.2167 -126.891 GPRESSURE: 2277200 -230.977 109.706 141.943 21.5544 -183.089 -34.4287 184.479 -30.2533 -78.8098 PRESSAVG: 2277200 -52.9233 -41.08 -5.5301 -41.08 82.4906 -46.5873 -5.53013 -46.5875 -16.9853 GPRESSAVG: 2277200 -52.9852 -41.8968 -4.26574 -40.429 82.1168 -46.6725 -7.51744 -47.1444 -16.1631 TIMING: 2277200 CPU: 7269.82, 0.00314926/step Wall: 7269.82, 0.00314926/step, 2.38189 hours remaining, 240.675781 MB of memory in use. ENERGY: 2277200 3923.5455 20432.3178 14427.6078 245.7076 -202886.6538 2313.2201 0.0000 0.0000 52191.9989 -109352.2561 299.9481 -161544.2550 -108978.5142 299.0042 -188.4465 -164.2919 763574.1526 4.1940 4.3228 PRESSURE: 2277400 155.056 -167.295 362.62 -167.295 -125.42 -169.909 362.619 -169.908 -142.798 GPRESSURE: 2277400 198.23 -10.1706 292.159 -212.753 -133.7 -153.549 403.096 -157.787 -94.1616 PRESSAVG: 2277400 -45.6665 -50.4135 59.0482 -50.4134 37.5652 -68.9602 59.0482 -68.9603 23.1942 GPRESSAVG: 2277400 -44.7958 -50.8301 59.7545 -51.4225 37.1613 -68.1283 60.5483 -69.5243 22.4093 TIMING: 2277400 CPU: 7270.46, 0.00315459/step Wall: 7270.46, 0.00315459/step, 2.38574 hours remaining, 240.675781 MB of memory in use. ENERGY: 2277400 3963.4362 20391.0811 14389.1400 243.4840 -203451.1048 2747.0772 0.0000 0.0000 52303.8030 -109413.0834 300.5907 -161716.8864 -109049.9591 299.3903 -37.7203 -9.8773 761907.9602 5.0310 4.9249 PRESSURE: 2277600 -30.5098 -170.772 -26.3997 -170.772 71.8678 -35.3497 -26.3987 -35.3499 -190.772 GPRESSURE: 2277600 7.81918 -253.811 -49.3593 -17.5595 78.3245 -38.3608 79.077 38.9175 -163.195 PRESSAVG: 2277600 17.5285 -26.0174 -21.3682 -26.0174 -6.27962 -7.94149 -21.3682 -7.94142 1.96647 GPRESSAVG: 2277600 17.7958 -25.233 -22.5361 -24.9717 -7.06887 -7.87911 -20.9676 -7.19892 2.06013 TIMING: 2277600 CPU: 7271.09, 0.00315215/step Wall: 7271.09, 0.00315215/step, 2.38373 hours remaining, 240.675781 MB of memory in use. ENERGY: 2277600 3915.8228 20480.5929 14397.5634 265.9126 -202905.5946 2461.1821 0.0000 0.0000 52154.4450 -109230.0758 299.7323 -161384.5208 -108880.5568 299.7340 -49.8047 -25.6836 764037.5231 4.4051 4.2624 PRESSURE: 2277800 -247.065 -38.4017 -21.4358 -38.4021 -222.611 -237.873 -21.436 -237.874 126.869 GPRESSURE: 2277800 -215.32 11.5955 -58.0864 -76.7191 -110.416 -103.989 -42.7412 -392.282 107.938 PRESSAVG: 2277800 64.9881 8.91102 40.5255 8.91106 -21.8281 -74.4662 40.5255 -74.4662 2.42889 GPRESSAVG: 2277800 63.9463 8.66429 39.9242 7.16314 -21.3015 -74.7603 38.2689 -78.298 3.37113 TIMING: 2277800 CPU: 7271.71, 0.00313845/step Wall: 7271.71, 0.00313845/step, 2.37319 hours remaining, 240.675781 MB of memory in use. ENERGY: 2277800 3895.1685 20458.5194 14474.0842 256.4212 -203124.1221 2516.3446 0.0000 0.0000 52282.6784 -109240.9058 300.4693 -161523.5842 -108876.4333 299.7269 -114.2691 -72.5992 762039.1676 15.1963 15.3387 PRESSURE: 2278000 275.743 27.9178 132.356 27.9174 311.704 -56.2998 132.355 -56.2993 32.809 GPRESSURE: 2278000 270.537 41.6006 102.957 66.7068 338.795 -16.8206 288.682 -25.3105 86.7552 PRESSAVG: 2278000 50.2941 -23.6443 27.7146 -23.6442 28.8703 -98.1868 27.7145 -98.1867 12.7762 GPRESSAVG: 2278000 51.9928 -24.9516 28.3424 -21.8369 28.2016 -98.8011 31.0279 -95.2802 11.5958 TIMING: 2278000 CPU: 7272.34, 0.00314558/step Wall: 7272.34, 0.00314558/step, 2.37841 hours remaining, 240.675781 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: 2278000 4030.9467 20625.3767 14532.1389 236.0731 -203312.1933 2688.0435 0.0000 0.0000 52052.6137 -109147.0008 299.1471 -161199.6145 -108793.6004 299.9834 206.7517 232.0289 761784.1477 30.6469 30.5967 PRESSURE: 2278200 -31.8642 -13.5051 239.527 -13.5047 127.965 -169.889 239.526 -169.89 76.6338 GPRESSURE: 2278200 -45.2487 -2.64023 260.025 -81.9219 173.131 -139.221 140.028 -106.835 133.362 PRESSAVG: 2278200 42.7331 -9.16771 10.9038 -9.16779 -33.8767 -10.0905 10.9038 -10.0905 1.45671 GPRESSAVG: 2278200 41.3828 -8.42595 11.3581 -10.3534 -32.8099 -9.97387 10.0345 -9.41348 1.34191 TIMING: 2278200 CPU: 7272.98, 0.00317897/step Wall: 7272.98, 0.00317897/step, 2.40348 hours remaining, 240.675781 MB of memory in use. ENERGY: 2278200 3985.9393 20340.5150 14409.0216 236.6281 -203178.3271 2641.7121 0.0000 0.0000 52199.8970 -109364.6139 299.9935 -161564.5109 -109004.9767 299.4835 57.5781 87.0814 761711.3819 3.4377 3.3049 PRESSURE: 2278400 120.913 -153.063 57.823 -153.063 -247.225 -215.732 57.8235 -215.731 -112.152 GPRESSURE: 2278400 151.713 -116.728 88.0891 -145.657 -187.878 -203.817 58.4043 -222.027 -128.489 PRESSAVG: 2278400 -0.54981 -51.6838 -15.0462 -51.6839 12.2547 -26.6334 -15.0463 -26.6333 -12.462 GPRESSAVG: 2278400 -0.22721 -51.9464 -16.1973 -51.4812 12.1007 -27.345 -15.7921 -25.6638 -11.9884 TIMING: 2278400 CPU: 7273.61, 0.00314355/step Wall: 7273.61, 0.00314355/step, 2.37652 hours remaining, 240.675781 MB of memory in use. ENERGY: 2278400 4031.1387 20434.2415 14371.9765 254.8709 -203280.5559 2848.3818 0.0000 0.0000 52241.6842 -109098.2622 300.2337 -161339.9464 -108740.5881 299.5739 -79.4879 -54.8849 762893.8975 -0.2524 -0.0383 PRESSURE: 2278600 223.983 21.4918 -180.008 21.4915 237.194 406.339 -180.008 406.339 214.438 GPRESSURE: 2278600 313.541 21.8496 -131.146 15.5729 191.355 379.374 -156.823 353.693 264.776 PRESSAVG: 2278600 25.3467 -59.2472 18.3812 -59.2472 -34.2133 10.3494 18.3813 10.3494 19.5719 GPRESSAVG: 2278600 26.2774 -60.0207 20.2785 -58.8541 -34.5637 10.4533 19.7003 7.50763 19.0007 TIMING: 2278600 CPU: 7274.24, 0.00315529/step Wall: 7274.24, 0.00315529/step, 2.38522 hours remaining, 240.675781 MB of memory in use. ENERGY: 2278600 3995.5753 20462.3349 14405.4835 224.4165 -202875.1689 2506.2499 0.0000 0.0000 52048.3148 -109232.7940 299.1224 -161281.1089 -108866.6339 299.9093 225.2049 256.5573 760889.5706 3.5685 3.5715 PRESSURE: 2278800 76.7573 -228.161 11.5849 -228.16 325.845 -270.471 11.5854 -270.471 24.403 GPRESSURE: 2278800 150.811 -225.096 86.4928 -187.621 269.664 -219.86 -129.837 -135.966 82.8664 PRESSAVG: 2278800 -12.3863 -20.3351 -22.9008 -20.3352 52.1222 -68.507 -22.9009 -68.507 17.374 GPRESSAVG: 2278800 -13.0791 -21.0316 -22.472 -18.7641 51.9319 -67.8238 -26.0808 -67.494 18.1364 TIMING: 2278800 CPU: 7274.87, 0.00316229/step Wall: 7274.87, 0.00316229/step, 2.39034 hours remaining, 240.675781 MB of memory in use. ENERGY: 2278800 4033.4369 20476.5322 14457.8846 244.3513 -203596.1376 2781.4879 0.0000 0.0000 52340.6024 -109261.8422 300.8022 -161602.4447 -108902.6328 299.9916 142.3352 167.7805 761213.8863 19.0366 18.9964 PRESSURE: 2279000 -153.317 -33.4711 95.9158 -33.47 -277.364 30.551 95.9156 30.5507 53.4683 GPRESSURE: 2279000 -89.8224 -5.61517 158.164 1.46866 -319.335 20.287 109.397 142.309 101.496 PRESSAVG: 2279000 47.7088 -12.0235 -6.51499 -12.0235 -64.2285 3.28651 -6.51486 3.28649 14.1346 GPRESSAVG: 2279000 46.1476 -9.9692 -8.58798 -12.8055 -63.6943 1.63791 -4.42505 4.61056 15.1382 TIMING: 2279000 CPU: 7275.5, 0.00316087/step Wall: 7275.5, 0.00316087/step, 2.38909 hours remaining, 240.675781 MB of memory in use. ENERGY: 2279000 3977.3520 20475.4180 14470.0346 242.9906 -203130.8616 2394.4395 0.0000 0.0000 52302.4248 -109268.2021 300.5828 -161570.6269 -108909.3143 300.3736 -125.7375 -102.5540 761031.6492 -0.7950 -0.8028 PRESSURE: 2279200 -115.828 -101.26 -1.29106 -101.26 -62.9054 4.24888 -1.29073 4.24919 -331.655 GPRESSURE: 2279200 -136.399 -81.1884 -16.7372 -259.296 -32.9296 -80.5227 97.0283 24.2945 -265.609 PRESSAVG: 2279200 56.2272 -13.7766 -3.85232 -13.7766 -63.0586 -10.5681 -3.85239 -10.568 -7.80507 GPRESSAVG: 2279200 57.2601 -15.9412 -3.51981 -13.4901 -63.1218 -9.467 -3.94015 -11.8576 -8.44147 TIMING: 2279200 CPU: 7276.13, 0.00314881/step Wall: 7276.13, 0.00314881/step, 2.3798 hours remaining, 240.675781 MB of memory in use. ENERGY: 2279200 3910.7618 20490.9798 14475.7783 249.8991 -203014.4035 2381.3616 0.0000 0.0000 52136.5670 -109369.0560 299.6296 -161505.6230 -109011.6530 299.8667 -170.1295 -144.9790 759402.8730 -4.8788 -4.7677 PRESSURE: 2279400 105.451 -196.938 -33.0972 -196.938 85.9766 -7.2517 -33.0967 -7.25409 61.9164 GPRESSURE: 2279400 158.174 -166.584 -38.0577 -160.108 137.254 -46.1037 -64.2955 -116.704 53.6804 PRESSAVG: 2279400 54.3325 -78.3421 2.58843 -78.3421 -36.8628 -35.4389 2.58846 -35.439 -5.72584 GPRESSAVG: 2279400 53.751 -77.4592 3.59828 -78.6963 -35.7386 -36.2897 2.30852 -36.1551 -5.87108 TIMING: 2279400 CPU: 7276.77, 0.00318198/step Wall: 7276.77, 0.00318198/step, 2.4047 hours remaining, 240.675781 MB of memory in use. ENERGY: 2279400 3997.1748 20476.0323 14405.9084 248.0542 -203036.2947 2567.1326 0.0000 0.0000 52006.1965 -109335.7960 298.8803 -161341.9925 -108974.9150 299.4836 84.4480 116.3692 760631.5331 3.9146 4.0471 PRESSURE: 2279600 110.996 156.419 35.6792 156.419 -213.336 48.2068 35.6793 48.2074 432.12 GPRESSURE: 2279600 121.014 105.99 51.6463 175.201 -130.161 -54.8473 -44.5628 -59.705 425.196 PRESSAVG: 2279600 3.87878 -66.7055 -50.7006 -66.7055 -32.734 -39.4612 -50.7006 -39.4612 24.1438 GPRESSAVG: 2279600 4.73251 -68.1796 -50.2574 -64.0169 -32.6503 -39.7051 -50.6763 -39.7527 22.6774 TIMING: 2279600 CPU: 7277.4, 0.00317549/step Wall: 7277.4, 0.00317549/step, 2.39961 hours remaining, 240.675781 MB of memory in use. ENERGY: 2279600 4001.3146 20445.2086 14478.4683 235.2443 -203148.1447 2577.6946 0.0000 0.0000 52293.8040 -109116.4103 300.5332 -161410.2143 -108741.6953 299.4867 109.9265 138.6830 758856.9229 -1.5705 -1.7468 PRESSURE: 2279800 30.2751 -55.5521 102.565 -55.5524 39.826 -3.70855 102.566 -3.70871 -832.184 GPRESSURE: 2279800 39.0723 -8.68758 82.9957 76.4868 142.418 26.8482 108.142 110.54 -863.75 PRESSAVG: 2279800 32.8609 -79.4665 -44.7228 -79.4665 -5.24077 32.4489 -44.7228 32.4489 -10.027 GPRESSAVG: 2279800 32.7672 -78.3324 -46.1269 -79.8542 -6.08121 31.5086 -44.8475 33.7596 -9.3197 TIMING: 2279800 CPU: 7278.04, 0.00316176/step Wall: 7278.04, 0.00316176/step, 2.38906 hours remaining, 240.675781 MB of memory in use. ENERGY: 2279800 4002.6304 20630.0781 14428.9258 263.4566 -203169.1304 2452.4296 0.0000 0.0000 52246.7168 -109144.8931 300.2626 -161391.6099 -108783.3280 299.9621 -254.0278 -227.4197 760939.2731 5.8644 5.7888 PRESSURE: 2280000 300.506 -34.0164 -57.5518 -34.0172 214.317 -93.7915 -57.5523 -93.7913 206.599 GPRESSURE: 2280000 304.936 -96.1332 -59.3364 52.788 249.112 58.5146 -48.3113 -33.2142 248.18 PRESSAVG: 2280000 12.5815 -25.0946 -43.1024 -25.0946 -11.5526 9.2875 -43.1023 9.28754 -17.0974 GPRESSAVG: 2280000 10.1256 -25.2898 -41.8387 -26.2219 -10.8806 11.321 -42.4485 8.07764 -15.3224 TIMING: 2280000 CPU: 7278.67, 0.00316023/step Wall: 7278.67, 0.00316023/step, 2.38773 hours remaining, 240.675781 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: 2280000 3998.7586 20604.5789 14471.4258 242.8333 -203342.9903 2628.3897 0.0000 0.0000 52066.6506 -109330.3534 299.2278 -161397.0040 -108974.3238 299.8069 240.4739 267.4094 760048.2178 -5.3561 -5.3591 PRESSURE: 2280200 -218.603 -141.329 -237.275 -141.33 -404.125 117.422 -237.276 117.422 -367.497 GPRESSURE: 2280200 -253.448 -179.47 -273.645 -192.787 -321.841 81.4948 -167.239 106.646 -345.854 PRESSAVG: 2280200 -28.5898 1.17813 12.7772 1.17811 35.7992 -20.94 12.7771 -20.9401 -7.85225 GPRESSAVG: 2280200 -27.3556 2.7604 11.8469 0.530689 35.8382 -21.4149 12.1172 -20.3782 -9.89234 TIMING: 2280200 CPU: 7279.3, 0.00315487/step Wall: 7279.3, 0.00315487/step, 2.38351 hours remaining, 240.675781 MB of memory in use. ENERGY: 2280200 4046.6520 20570.9581 14401.5622 255.9727 -202800.2335 2178.5187 0.0000 0.0000 52050.0095 -109296.5602 299.1321 -161346.5698 -108943.4283 299.5543 -330.0750 -307.0480 761030.4281 -0.2143 -0.4699 LDB: ============= START OF LOAD BALANCING ============== 7291.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7291.75 LDB: =============== DONE WITH MIGRATION ================ 7291.76 LDB: ============= START OF LOAD BALANCING ============== 7292.07 LDB: Largest compute 7057 load 0.036207 is 18.5% of average load 0.195310 LDB: Average compute 0.004385 is 2.2% of average load 0.195310 LDB: TIME 7292.08 LOAD: AVG 0.19531 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7292.08 LOAD: AVG 0.19531 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: TIME 7292.08 LOAD: AVG 0.19531 MAX 0.215451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: ============== END OF LOAD BALANCING =============== 7292.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7292.09 PRESSURE: 2280400 80.0185 -102.731 -100.614 -102.731 159.735 -21.3728 -100.615 -21.3743 -63.4294 GPRESSURE: 2280400 115.094 -100.937 3.79114 -117.833 152.638 -14.9418 -90.2264 -116.231 -29.1314 PRESSAVG: 2280400 27.9772 4.88384 19.8109 4.88388 -44.1591 11.5698 19.8108 11.5698 -18.3262 GPRESSAVG: 2280400 27.8123 4.6613 20.7208 2.46055 -44.8227 11.3686 21.3694 11.3285 -17.1472 TIMING: 2280400 CPU: 7279.95, 0.00325038/step Wall: 7279.95, 0.00325038/step, 2.45548 hours remaining, 240.605469 MB of memory in use. ENERGY: 2280400 4088.3068 20529.4584 14386.9738 227.3329 -203056.6385 2354.3372 0.0000 0.0000 52116.7980 -109353.4314 299.5160 -161470.2293 -109001.5132 299.9250 58.7749 79.5336 760693.9929 -11.5027 -11.3859 PRESSURE: 2280600 -264.99 79.0596 -141.259 79.06 -194.29 25.0418 -141.258 25.0411 -350.048 GPRESSURE: 2280600 -157.016 62.7685 -152.212 19.9965 -145.081 126.072 -108.789 165.014 -413.535 PRESSAVG: 2280600 63.3968 -42.0204 -40.0466 -42.0204 -20.3301 24.5417 -40.0466 24.5417 -4.29518 GPRESSAVG: 2280600 62.8903 -41.9028 -41.028 -40.404 -20.3274 24.6469 -40.1387 24.69 -3.78001 TIMING: 2280600 CPU: 7280.58, 0.00316046/step Wall: 7280.58, 0.00316046/step, 2.38738 hours remaining, 240.605469 MB of memory in use. ENERGY: 2280600 4066.4773 20480.9658 14476.1054 234.8253 -202798.5614 2414.1620 0.0000 0.0000 51830.3440 -109295.6816 297.8697 -161126.0256 -108930.7481 299.4293 -269.7763 -238.5441 762178.9040 12.9239 12.9276 PRESSURE: 2280800 335.094 -179.772 -321.48 -179.772 243.396 -66.4798 -321.48 -66.4802 -117.944 GPRESSURE: 2280800 312.696 -125.567 -306.286 -32.1677 264.836 15.0415 -311.893 -77.1622 -30.4675 PRESSAVG: 2280800 25.3431 -33.3521 -42.1786 -33.352 -16.3948 4.44855 -42.1786 4.44854 -3.25793 GPRESSAVG: 2280800 26.6604 -33.3864 -41.1376 -32.6601 -16.6902 5.22676 -44.1494 2.06343 -4.17242 TIMING: 2280800 CPU: 7281.21, 0.00316009/step Wall: 7281.21, 0.00316009/step, 2.38692 hours remaining, 240.605469 MB of memory in use. ENERGY: 2280800 4032.7405 20515.8900 14364.3676 245.0157 -203605.5764 2906.3880 0.0000 0.0000 52405.7937 -109135.3810 301.1768 -161541.1747 -108767.9763 299.9441 153.5154 182.3546 758578.0175 1.8968 1.9326 PRESSURE: 2281000 58.2379 -36.1292 33.5331 -36.1291 56.2907 400.67 33.5332 400.671 -80.0639 GPRESSURE: 2281000 156.501 -107.405 59.338 -5.95427 84.774 308.068 34.7354 327.57 -134.083 PRESSAVG: 2281000 79.4182 -19.0903 -61.5914 -19.0904 -57.1747 18.1088 -61.5914 18.1088 2.08553 GPRESSAVG: 2281000 79.2604 -18.7677 -61.463 -19.4727 -55.8987 16.3876 -61.0282 19.438 1.37893 TIMING: 2281000 CPU: 7281.84, 0.00315217/step Wall: 7281.84, 0.00315217/step, 2.38077 hours remaining, 240.605469 MB of memory in use. ENERGY: 2281000 4039.7528 20488.9978 14489.3644 233.8316 -203109.6661 2505.0456 0.0000 0.0000 52175.3964 -109177.2776 299.8527 -161352.6740 -108798.6233 300.2955 11.4882 35.7304 759420.1855 8.1097 8.2469 PRESSURE: 2281200 -255.903 -240.88 83.4327 -240.881 112.611 51.3577 83.433 51.3585 235.798 GPRESSURE: 2281200 -136.293 -238.955 160.463 -262.847 135.853 87.2038 74.6848 185.995 183.949 PRESSAVG: 2281200 -18.4241 -14.6682 -2.01734 -14.6682 -2.41308 -9.14347 -2.01737 -9.14357 -15.5971 GPRESSAVG: 2281200 -17.6523 -15.6344 -2.75068 -15.612 -3.22583 -6.91377 -1.15214 -10.7117 -15.3864 TIMING: 2281200 CPU: 7282.48, 0.00316913/step Wall: 7282.48, 0.00316913/step, 2.3934 hours remaining, 240.605469 MB of memory in use. ENERGY: 2281200 4055.6012 20393.4224 14471.3305 239.4416 -203399.3220 2476.8725 0.0000 0.0000 52365.7797 -109396.8741 300.9469 -161762.6539 -109028.7507 299.7451 30.8355 61.1694 759512.1015 -12.1448 -12.0882 PRESSURE: 2281400 -169.149 -180.433 302.917 -180.433 75.4851 42.1626 302.916 42.1612 4.25278 GPRESSURE: 2281400 -90.4555 -89.9171 289.775 -110.209 118.444 84.6141 233.289 31.3766 -20.5995 PRESSAVG: 2281400 90.089 -27.0684 41.0154 -27.0684 -34.7195 42.9412 41.0154 42.9413 14.4234 GPRESSAVG: 2281400 89.0283 -28.8728 43.1166 -26.6076 -34.5822 41.3746 39.2816 43.3681 15.4323 TIMING: 2281400 CPU: 7283.11, 0.00317233/step Wall: 7283.11, 0.00317233/step, 2.39564 hours remaining, 240.605469 MB of memory in use. ENERGY: 2281400 4043.7500 20536.6329 14451.9682 250.5704 -203376.1078 2416.0024 0.0000 0.0000 52167.7217 -109509.4622 299.8086 -161677.1839 -109145.6956 299.4036 -29.8036 2.4629 759963.7707 23.2643 23.2928 PRESSURE: 2281600 236.974 -7.99028 -224.88 -7.99045 10.9769 32.8343 -224.881 32.8337 -248.879 GPRESSURE: 2281600 246.075 -23.6208 -83.8984 -21.6507 -3.45153 -25.1993 -129.4 -24.0297 -163.22 PRESSAVG: 2281600 49.1086 -27.2381 6.54662 -27.2382 -39.7448 -12.368 6.5466 -12.368 -13.1108 GPRESSAVG: 2281600 50.2298 -25.7902 4.3901 -26.7628 -40.0495 -13.2491 8.53124 -9.18145 -13.5313 TIMING: 2281600 CPU: 7283.75, 0.00316812/step Wall: 7283.75, 0.00316812/step, 2.39228 hours remaining, 240.605469 MB of memory in use. ENERGY: 2281600 4029.8241 20514.7022 14404.5331 223.6296 -203484.2010 2654.0360 0.0000 0.0000 52247.8248 -109409.6512 300.2690 -161657.4760 -109058.3027 299.5592 -0.3097 26.4681 760866.9573 -1.2490 -1.1170 PRESSURE: 2281800 -251.534 -172.103 -131.403 -172.102 -106.631 -110.647 -131.402 -110.646 -58.4576 GPRESSURE: 2281800 -207.574 -109.182 -164.054 -121.411 -68.9723 -94.5965 -64.6566 -198.409 -49.5518 PRESSAVG: 2281800 16.479 -47.8186 -86.1359 -47.8186 -57.3838 -0.758211 -86.1359 -0.758189 -5.69777 GPRESSAVG: 2281800 16.2895 -44.6286 -84.3447 -48.0008 -57.9566 -1.45851 -89.1342 -0.883825 -4.84707 TIMING: 2281800 CPU: 7284.38, 0.00316806/step Wall: 7284.38, 0.00316806/step, 2.39206 hours remaining, 240.605469 MB of memory in use. ENERGY: 2281800 3998.3896 20638.3420 14496.6688 234.6511 -203000.5139 2259.3257 0.0000 0.0000 52135.4092 -109237.7275 299.6229 -161373.1367 -108867.8152 299.6975 -138.8741 -108.6994 760769.6251 -15.5342 -15.5047 PRESSURE: 2282000 -193.671 -23.8163 66.5582 -23.8159 -233.522 22.1454 66.5587 22.146 438.688 GPRESSURE: 2282000 -139.171 41.694 185.818 -137.967 -22.0859 3.30501 26.9038 -56.7994 257.13 PRESSAVG: 2282000 -0.998421 -48.4047 6.78546 -48.4047 9.94468 3.99069 6.78551 3.99071 6.90892 GPRESSAVG: 2282000 -1.01112 -50.7555 4.66757 -48.943 10.7526 4.87022 9.66377 0.428152 6.81219 TIMING: 2282000 CPU: 7285.01, 0.00317391/step Wall: 7285.01, 0.00317391/step, 2.3963 hours remaining, 240.605469 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: 2282000 3988.1280 20526.0116 14483.9313 257.2645 -203097.6783 2661.4003 0.0000 0.0000 52079.3167 -109101.6259 299.3005 -161180.9426 -108742.9233 300.4186 3.8316 31.9579 760129.0444 5.2851 5.5179 PRESSURE: 2282200 -192.635 -22.6543 -308.779 -22.6542 126.421 199.643 -308.779 199.644 25.8398 GPRESSURE: 2282200 -184.137 -22.1399 -330.186 -51.4911 123.543 208.64 -158.749 140.914 79.4611 PRESSAVG: 2282200 12.8582 -16.7822 20.5747 -16.7821 -31.8109 44.9917 20.5746 44.9918 18.5286 GPRESSAVG: 2282200 12.541 -16.6652 22.4778 -16.1126 -31.2705 46.3016 21.2005 47.66 18.7967 TIMING: 2282200 CPU: 7285.65, 0.00317053/step Wall: 7285.65, 0.00317053/step, 2.39358 hours remaining, 240.605469 MB of memory in use. ENERGY: 2282200 3991.8459 20521.2792 14359.6126 248.0578 -203441.2865 2658.1405 0.0000 0.0000 52444.3948 -109217.9559 301.3987 -161662.3506 -108849.7902 299.9589 -13.4580 6.2890 761531.2723 -0.1414 0.0224 PRESSURE: 2282400 28.3502 49.7325 -125.732 49.7316 153.863 -29.497 -125.733 -29.495 -266.908 GPRESSURE: 2282400 46.893 6.05034 -156.016 170.197 200.108 -35.6079 -87.7469 -82.1887 -224.701 PRESSAVG: 2282400 58.2471 28.3922 -50.1341 28.3923 -46.9225 23.8509 -50.1341 23.8509 -20.7069 GPRESSAVG: 2282400 58.2116 25.9366 -52.2762 30.2605 -46.1624 22.4121 -50.0186 21.8239 -21.4375 TIMING: 2282400 CPU: 7286.28, 0.00315843/step Wall: 7286.28, 0.00315843/step, 2.38426 hours remaining, 240.605469 MB of memory in use. ENERGY: 2282400 3996.4128 20403.0412 14430.1235 246.1811 -202986.2350 2366.3718 0.0000 0.0000 52380.6546 -109163.4500 301.0323 -161544.1046 -108800.3951 299.8483 -28.2314 7.4332 759974.7459 -3.1275 -3.1294 PRESSURE: 2282600 -147.323 -55.8306 87.4159 -55.8323 -370.7 -57.5981 87.4154 -57.5985 -7.71059 GPRESSURE: 2282600 -125.671 -126.826 115.182 -72.669 -307.553 -122.276 36.154 -74.0121 -1.07866 PRESSAVG: 2282600 -8.70125 -34.2402 -15.1836 -34.2401 -8.1371 1.41992 -15.1836 1.41986 -5.91776 GPRESSAVG: 2282600 -8.55279 -33.4262 -14.3721 -33.9559 -9.48503 3.38718 -14.919 0.466915 -5.01744 TIMING: 2282600 CPU: 7286.91, 0.0031506/step Wall: 7286.91, 0.0031506/step, 2.37818 hours remaining, 240.605469 MB of memory in use. ENERGY: 2282600 4041.7186 20524.1701 14376.2813 255.2075 -202776.3869 2174.8240 0.0000 0.0000 52359.5465 -109044.6389 300.9110 -161404.1854 -108676.8152 300.0741 -175.2446 -144.7678 760690.9072 -7.5854 -7.6851 PRESSURE: 2282800 -293.326 -13.0546 -34.9381 -13.0543 59.5989 204.75 -34.9386 204.749 72.0768 GPRESSURE: 2282800 -203.5 -80.1855 -0.371351 -167.948 53.0376 249.664 -66.9085 117.411 62.0962 PRESSAVG: 2282800 20.215 -26.846 -10.356 -26.846 7.28866 -30.6885 -10.356 -30.6885 12.5235 GPRESSAVG: 2282800 20.6814 -24.4511 -9.76514 -28.6434 7.34238 -31.3518 -12.7415 -29.4262 11.6827 TIMING: 2282800 CPU: 7287.54, 0.00316874/step Wall: 7287.54, 0.00316874/step, 2.39169 hours remaining, 240.605469 MB of memory in use. ENERGY: 2282800 4039.5606 20522.7435 14483.2167 258.8107 -203136.5846 2545.6514 0.0000 0.0000 52202.7951 -109083.8067 300.0102 -161286.6018 -108725.2155 300.1148 -53.8834 -29.4555 761946.1035 13.3424 13.2355 PRESSURE: 2283000 -60.7356 -119.319 -162.449 -119.32 -210.226 90.011 -162.449 90.0098 370.572 GPRESSURE: 2283000 -38.8035 -155.183 -105.236 -60.6228 -151.438 99.3805 -199.626 25.8951 372.727 PRESSAVG: 2283000 -7.92432 31.9501 -25.8146 31.9501 -29.5352 -0.598974 -25.8146 -0.598972 0.0729644 GPRESSAVG: 2283000 -8.35503 31.3224 -25.7888 30.6171 -30.0115 -1.50215 -25.0633 0.0880507 1.23321 TIMING: 2283000 CPU: 7288.18, 0.00319237/step Wall: 7288.18, 0.00319237/step, 2.40935 hours remaining, 240.605469 MB of memory in use. ENERGY: 2283000 4022.4630 20566.8271 14492.0729 237.0608 -202852.2722 2231.7134 0.0000 0.0000 52232.8357 -109069.2994 300.1828 -161302.1351 -108697.4016 300.0544 33.2037 60.8284 761544.8889 -12.4622 -12.3778 PRESSURE: 2283200 -634.777 78.5108 -325.779 78.5102 -61.3353 -263.047 -325.779 -263.047 91.5235 GPRESSURE: 2283200 -566.63 146.878 -356.909 58.6571 -31.7691 -209.699 -304.333 -26.0037 74.4089 PRESSAVG: 2283200 -28.5136 -59.4459 19.836 -59.4459 48.5612 -16.6838 19.836 -16.6838 -4.15934 GPRESSAVG: 2283200 -27.5876 -60.7652 19.6249 -56.8531 48.0962 -14.8635 20.4785 -16.503 -5.02242 TIMING: 2283200 CPU: 7288.82, 0.00320976/step Wall: 7288.82, 0.00320976/step, 2.4223 hours remaining, 240.605469 MB of memory in use. ENERGY: 2283200 4056.8538 20517.2427 14529.8748 269.8228 -202866.7742 2277.5089 0.0000 0.0000 52401.0469 -108814.4243 301.1495 -161215.4712 -108444.1229 300.7789 -201.5296 -174.6635 760699.6921 5.2961 5.1621 PRESSURE: 2283400 -298.982 -28.0137 -143.387 -28.014 -30.831 -43.3174 -143.387 -43.3167 -171.151 GPRESSURE: 2283400 -232.966 -60.0823 -20.5927 -77.048 -36.3204 -95.9121 -168.104 -0.789305 -125.494 PRESSAVG: 2283400 -47.5963 14.1705 -13.5397 14.1704 48.6236 -5.93387 -13.5396 -5.93387 -2.53524 GPRESSAVG: 2283400 -47.4973 15.2182 -13.1489 12.0693 48.9187 -7.74126 -14.6731 -4.5875 -2.4279 TIMING: 2283400 CPU: 7289.45, 0.00314724/step Wall: 7289.45, 0.00314724/step, 2.37494 hours remaining, 240.605469 MB of memory in use. ENERGY: 2283400 3993.5357 20660.8779 14549.6389 242.0756 -202778.5305 2244.2594 0.0000 0.0000 52389.3118 -108698.8312 301.0821 -161088.1430 -108341.2879 301.3455 -166.9880 -131.5936 761025.1118 -0.5026 -0.3355 PRESSURE: 2283600 -130.227 88.0812 68.5692 88.0806 39.8665 -231.243 68.5682 -231.243 -174.854 GPRESSURE: 2283600 -80.9909 81.2393 101.86 154.544 48.3947 -183.614 -30.4612 -205.062 -143.503 PRESSAVG: 2283600 66.6887 10.7335 -61.2016 10.7336 22.1315 14.6477 -61.2016 14.6476 0.699286 GPRESSAVG: 2283600 66.2054 9.91202 -61.8108 13.3758 22.2735 13.7708 -58.7709 14.0788 0.70394 TIMING: 2283600 CPU: 7290.08, 0.00315485/step Wall: 7290.08, 0.00315485/step, 2.38051 hours remaining, 240.605469 MB of memory in use. ENERGY: 2283600 4104.7611 20553.7534 14425.5182 234.6934 -203165.5759 2591.2645 0.0000 0.0000 52505.3968 -108750.1885 301.7492 -161255.5853 -108391.5770 301.3352 -88.4048 -58.6998 761396.9666 29.8398 29.7276 PRESSURE: 2283800 54.2198 -207.954 -317.717 -207.954 81.5527 109.271 -317.716 109.272 44.155 GPRESSURE: 2283800 134.683 -104.747 -345.556 -286.268 120.697 112.138 -246.798 239.415 18.5865 PRESSAVG: 2283800 43.6925 -24.8191 -27.9097 -24.8191 -31.7761 39.0438 -27.9098 39.0439 12.9658 GPRESSAVG: 2283800 42.143 -24.1435 -28.9224 -26.2792 -30.4704 41.129 -27.5125 37.1942 12.4857 TIMING: 2283800 CPU: 7290.72, 0.00315356/step Wall: 7290.72, 0.00315356/step, 2.37936 hours remaining, 240.605469 MB of memory in use. ENERGY: 2283800 4011.2045 20613.1017 14453.4752 250.7506 -203284.8251 2680.6586 0.0000 0.0000 52603.0697 -108672.5648 302.3106 -161275.6345 -108300.8631 301.4240 59.9758 91.3221 758837.3259 8.2940 8.0528 PRESSURE: 2284000 203.115 9.15485 43.9057 9.15445 -0.474059 388.808 43.9056 388.808 552.757 GPRESSURE: 2284000 292.043 29.364 34.1886 -31.9605 -21.407 412.417 30.5239 212.758 555.502 PRESSAVG: 2284000 4.50402 -24.581 -47.3023 -24.581 -36.7198 47.644 -47.3023 47.644 -16.6668 GPRESSAVG: 2284000 6.1716 -24.0573 -46.3108 -25.1229 -39.1458 47.1959 -48.5453 48.0522 -16.5093 TIMING: 2284000 CPU: 7291.35, 0.00314853/step Wall: 7291.35, 0.00314853/step, 2.37539 hours remaining, 240.605469 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: 2284000 4096.8396 20664.6686 14442.0080 237.9827 -202928.2287 2543.3011 0.0000 0.0000 52302.9080 -108640.5207 300.5855 -160943.4286 -108276.5595 301.4739 251.7993 275.3792 761462.8239 -16.2942 -16.4945 PRESSURE: 2284200 -2.18924 75.8013 -158.142 75.8017 61.1343 -255.435 -158.141 -255.436 -113.874 GPRESSURE: 2284200 55.2725 188.009 -126.744 24.591 97.1466 -208.625 -79.6451 -311.288 -118.686 PRESSAVG: 2284200 -17.9436 -58.774 -11.5725 -58.7739 1.31972 6.33086 -11.5726 6.33068 2.62662 GPRESSAVG: 2284200 -18.9729 -58.0637 -11.0191 -57.2 2.20482 6.89704 -10.7819 6.8109 3.08997 TIMING: 2284200 CPU: 7291.97, 0.00313822/step Wall: 7291.97, 0.00313822/step, 2.36744 hours remaining, 240.605469 MB of memory in use. ENERGY: 2284200 3996.3173 20501.0818 14441.3474 244.8884 -202836.1034 2383.2686 0.0000 0.0000 52364.5082 -108904.6918 300.9395 -161269.2000 -108538.8058 300.9233 -18.3096 11.2443 761314.9111 -4.6658 -4.5594 LDB: ============= START OF LOAD BALANCING ============== 7304.42 LDB: ============== END OF LOAD BALANCING =============== 7304.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7304.43 LDB: ============= START OF LOAD BALANCING ============== 7304.74 LDB: Largest compute 7077 load 0.034274 is 17.6% of average load 0.195259 LDB: Average compute 0.004402 is 2.3% of average load 0.195259 LDB: TIME 7304.74 LOAD: AVG 0.195259 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.734 MB LDB: TIME 7304.74 LOAD: AVG 0.195259 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: TIME 7304.74 LOAD: AVG 0.195259 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: ============== END OF LOAD BALANCING =============== 7304.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7304.75 PRESSURE: 2284400 114.822 107.014 -117.168 107.014 -239.327 -86.2096 -117.169 -86.208 50.6913 GPRESSURE: 2284400 40.4709 122.23 14.204 161.618 -100.088 -84.695 -145.14 -69.0236 81.3286 PRESSAVG: 2284400 44.6886 45.2971 39.1651 45.297 -66.0773 -40.0198 39.1651 -40.0198 -1.80852 GPRESSAVG: 2284400 43.7539 46.7707 40.2011 42.8472 -65.2855 -41.2956 37.8547 -38.4948 -1.93741 TIMING: 2284400 CPU: 7292.61, 0.00320522/step Wall: 7292.61, 0.00320522/step, 2.4178 hours remaining, 239.324219 MB of memory in use. ENERGY: 2284400 4039.9666 20699.9585 14432.3261 252.7187 -203304.9595 2563.4066 0.0000 0.0000 52411.5617 -108905.0214 301.2100 -161316.5831 -108537.9645 301.2645 -24.6046 7.2371 759054.6712 -7.7324 -7.8230 PRESSURE: 2284600 -154.998 -41.6153 -197.126 -41.6157 116.355 -103.539 -197.126 -103.539 1.28365 GPRESSURE: 2284600 -178.639 18.8003 -155.646 -80.7137 192.735 -153.655 -192.333 -14.7079 31.1146 PRESSAVG: 2284600 37.7319 39.8187 9.70539 39.8187 -6.30481 -28.0048 9.70544 -28.0048 -6.39266 GPRESSAVG: 2284600 37.9614 36.7655 7.77736 40.5169 -7.62497 -26.6216 11.1894 -29.3556 -5.80564 TIMING: 2284600 CPU: 7293.24, 0.00312589/step Wall: 7293.24, 0.00312589/step, 2.35779 hours remaining, 239.324219 MB of memory in use. ENERGY: 2284600 4004.4867 20479.7079 14535.7903 271.4232 -203508.1659 2787.2890 0.0000 0.0000 52425.5980 -109003.8708 301.2906 -161429.4688 -108632.2611 301.0387 -12.4532 15.0704 760583.2417 8.3448 8.1769 PRESSURE: 2284800 -168.303 37.4927 -43.5227 37.4926 15.8605 145.276 -43.5234 145.275 39.9929 GPRESSURE: 2284800 -100.725 68.6303 -30.3173 11.3334 85.6471 136.516 56.8717 0.869325 1.38025 PRESSAVG: 2284800 -36.4371 43.421 48.9891 43.421 24.0917 -69.3388 48.989 -69.3389 10.903 GPRESSAVG: 2284800 -36.0954 42.9508 48.4379 44.3552 24.2206 -68.9229 49.388 -71.8259 10.3959 TIMING: 2284800 CPU: 7293.87, 0.00313974/step Wall: 7293.87, 0.00313974/step, 2.36806 hours remaining, 239.324219 MB of memory in use. ENERGY: 2284800 4011.8742 20633.7313 14449.5759 236.4629 -203427.4759 2607.2588 0.0000 0.0000 52326.6575 -109161.9153 300.7220 -161488.5728 -108788.9669 301.1932 -37.4831 -4.5658 759600.0944 -0.4808 -0.4930 PRESSURE: 2285000 37.0771 -212.287 88.611 -212.287 -57.3452 -34.517 88.6116 -34.5184 -65.7175 GPRESSURE: 2285000 80.1361 -104.145 72.4613 -194.382 -24.6147 3.77154 242.507 -140.583 -33.6263 PRESSAVG: 2285000 -16.3392 -6.22653 11.7326 -6.22648 -5.55234 9.47835 11.7326 9.47836 31.2147 GPRESSAVG: 2285000 -14.9807 -4.54962 13.4247 -6.12739 -5.80578 8.63695 12.0082 11.2965 30.7113 TIMING: 2285000 CPU: 7294.49, 0.00312939/step Wall: 7294.49, 0.00312939/step, 2.36008 hours remaining, 239.324219 MB of memory in use. ENERGY: 2285000 4094.9353 20507.3315 14414.5896 220.9897 -203058.7308 2629.8864 0.0000 0.0000 52135.3030 -109055.6954 299.6223 -161190.9983 -108690.4514 300.4379 -28.6619 7.2984 761838.7942 3.1077 3.3083 PRESSURE: 2285200 331.647 -61.4416 31.7336 -61.4407 -305.45 -104.631 31.7332 -104.633 401.348 GPRESSURE: 2285200 358.288 24.8273 -35.9074 26.8093 -314.917 -117.294 -27.1408 -44.5604 469.096 PRESSAVG: 2285200 -10.2698 0.683025 -13.5912 0.682998 -8.6328 0.457772 -13.5912 0.457814 -11.3917 GPRESSAVG: 2285200 -11.5866 -0.917682 -14.3896 1.7395 -7.16508 0.662707 -14.41 2.93741 -10.9207 TIMING: 2285200 CPU: 7295.12, 0.00314447/step Wall: 7295.12, 0.00314447/step, 2.37128 hours remaining, 239.324219 MB of memory in use. ENERGY: 2285200 3986.8465 20506.3210 14378.6171 234.3002 -203486.0377 2936.0595 0.0000 0.0000 52383.3812 -109060.5122 301.0480 -161443.8934 -108692.5634 300.0540 142.5147 170.8222 763570.2475 -10.0981 -9.8908 PRESSURE: 2285400 -104.931 -3.82279 144.332 -3.82305 -122.264 -66.6023 144.332 -66.6031 -408.246 GPRESSURE: 2285400 -25.4677 -13.0002 140.822 23.323 -121.362 -28.8871 262.268 -105.001 -420.668 PRESSAVG: 2285400 37.0485 -20.6343 -25.4113 -20.6343 -37.107 33.4042 -25.4112 33.4041 -12.2465 GPRESSAVG: 2285400 38.6722 -22.0279 -24.6859 -19.8122 -37.2776 33.3488 -25.8328 31.5167 -13.6471 TIMING: 2285400 CPU: 7295.75, 0.00314132/step Wall: 7295.75, 0.00314132/step, 2.36873 hours remaining, 239.324219 MB of memory in use. ENERGY: 2285400 3992.5667 20696.0107 14352.8971 237.2718 -203328.3238 2782.2190 0.0000 0.0000 52241.7374 -109025.6211 300.2340 -161267.3585 -108663.2895 300.7086 -211.8138 -189.1658 762163.0384 -4.1017 -4.0842 PRESSURE: 2285600 45.2562 -120.136 -274.001 -120.136 -116.051 -144.485 -274.002 -144.485 -88.9162 GPRESSURE: 2285600 70.4488 7.75067 -292.2 47.1791 -107.381 -220.868 -165.231 -195.22 -40.2121 PRESSAVG: 2285600 18.019 -17.2693 -7.88919 -17.2693 3.36993 44.436 -7.88919 44.4361 9.46719 GPRESSAVG: 2285600 16.351 -15.5924 -8.50371 -19.2517 4.32669 42.3761 -8.66436 47.3465 10.4492 TIMING: 2285600 CPU: 7296.38, 0.00314219/step Wall: 7296.38, 0.00314219/step, 2.36921 hours remaining, 239.324219 MB of memory in use. ENERGY: 2285600 3943.5006 20516.3129 14374.1291 252.6856 -203203.1775 2566.5530 0.0000 0.0000 52440.4660 -109109.5302 301.3761 -161549.9962 -108735.4492 300.6633 -53.2368 -25.7146 762367.5710 10.2854 10.3756 PRESSURE: 2285800 283.084 160.563 -98.3891 160.563 125.946 91.5842 -98.3889 91.5841 195.941 GPRESSURE: 2285800 340.245 46.8333 -106.213 149.044 75.7149 193.909 -104.899 -61.8492 253.124 PRESSAVG: 2285800 52.7678 -36.8411 10.0833 -36.8411 0.0504553 15.7401 10.0832 15.7401 -10.8182 GPRESSAVG: 2285800 53.4337 -38.7768 8.49844 -37.6088 -1.04967 16.7125 10.9106 15.0303 -10.4324 TIMING: 2285800 CPU: 7297.01, 0.00316819/step Wall: 7297.01, 0.00316819/step, 2.38864 hours remaining, 239.324219 MB of memory in use. ENERGY: 2285800 3941.6584 20612.5303 14430.2803 239.1705 -203518.0263 2549.9561 0.0000 0.0000 52647.2844 -109097.1464 302.5647 -161744.4308 -108726.7027 300.3914 201.6573 223.0282 760280.1607 14.0000 13.9839 PRESSURE: 2286000 357.488 -239.168 258.444 -239.169 -46.91 -118.009 258.444 -118.009 -233.118 GPRESSURE: 2286000 324.595 -139.876 280.629 -171.265 -23.6477 -94.0935 203.501 -209.515 -160.161 PRESSAVG: 2286000 39.3167 -23.9777 -71.099 -23.9778 -82.5484 -16.7186 -71.099 -16.7185 7.92583 GPRESSAVG: 2286000 39.1967 -21.6153 -68.4265 -23.1342 -82.0909 -16.8573 -72.4254 -18.6861 7.1854 TIMING: 2286000 CPU: 7297.64, 0.00315393/step Wall: 7297.64, 0.00315393/step, 2.37771 hours remaining, 239.324219 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: 2286000 4037.6651 20624.5738 14417.0637 241.3826 -203241.7473 2679.6735 0.0000 0.0000 52101.0261 -109140.3625 299.4253 -161241.3886 -108780.0567 300.3100 25.8199 46.9286 761476.1774 -11.7686 -11.9029 PRESSURE: 2286200 43.5177 126.434 60.5847 126.435 -267.686 -16.7473 60.5852 -16.7475 -30.4199 GPRESSURE: 2286200 45.9846 -14.7244 -39.5987 38.6696 -198.092 -8.14459 141.401 -43.8163 -12.6569 PRESSAVG: 2286200 21.9714 -32.3378 -14.3355 -32.3378 2.56775 54.6959 -14.3355 54.6959 38.2338 GPRESSAVG: 2286200 21.7893 -33.9913 -14.7507 -31.6901 3.10071 54.3826 -12.9294 53.3675 37.4669 TIMING: 2286200 CPU: 7298.28, 0.00316057/step Wall: 7298.28, 0.00316057/step, 2.38254 hours remaining, 239.324219 MB of memory in use. ENERGY: 2286200 4073.6766 20560.0418 14488.2110 234.8831 -203632.3934 2973.6452 0.0000 0.0000 52344.7456 -108957.1900 300.8260 -161301.9356 -108588.5571 300.7146 -84.8629 -54.9216 761888.9572 20.9243 20.7856 PRESSURE: 2286400 -151.119 188.039 17.4315 188.039 -358.012 -148.87 17.4317 -148.869 -123.477 GPRESSURE: 2286400 -94.9043 266.594 -65.339 149.84 -283.616 -117.354 -71.7122 -57.4393 -171.424 PRESSAVG: 2286400 10.6623 -5.96604 -2.28961 -5.96604 -3.32563 -18.1596 -2.2896 -18.1596 -23.1042 GPRESSAVG: 2286400 10.6227 -2.54549 -1.84655 -8.12012 -4.53928 -16.4524 -4.88181 -14.9847 -21.6267 TIMING: 2286400 CPU: 7298.91, 0.00318938/step Wall: 7298.91, 0.00318938/step, 2.40409 hours remaining, 239.324219 MB of memory in use. ENERGY: 2286400 4080.4927 20642.8014 14445.8353 240.5418 -203482.8125 2778.8744 0.0000 0.0000 52331.0356 -108963.2313 300.7472 -161294.2669 -108587.5932 300.8144 -210.8693 -183.3148 763128.1978 -5.2559 -5.1811 PRESSURE: 2286600 -49.7869 -46.803 -139.794 -46.8025 329.392 282.654 -139.795 282.654 384.231 GPRESSURE: 2286600 -47.9237 -123.781 -149.411 39.1683 306.395 261.153 -12.7406 142.848 481.479 PRESSAVG: 2286600 -6.59006 -15.3178 -4.7213 -15.3179 -42.6729 30.0042 -4.72132 30.0041 0.512018 GPRESSAVG: 2286600 -5.55268 -18.4132 -5.19212 -11.8486 -42.7089 25.9108 -4.57985 30.76 -0.864956 TIMING: 2286600 CPU: 7299.55, 0.00316314/step Wall: 7299.55, 0.00316314/step, 2.38413 hours remaining, 239.324219 MB of memory in use. ENERGY: 2286600 4041.0929 20564.0362 14428.0055 220.1158 -203642.3477 3059.8310 0.0000 0.0000 52167.4891 -109161.7770 299.8073 -161329.2662 -108796.4028 300.2630 221.2786 246.6500 761867.8466 -16.2503 -16.3755 PRESSURE: 2286800 -136.368 17.5612 -155.108 17.5611 -289.859 -123.077 -155.108 -123.078 -329.817 GPRESSURE: 2286800 -196.58 -131.618 -128.885 -45.1955 -170.336 -93.8867 15.9786 -96.2717 -312.574 PRESSAVG: 2286800 18.5652 -94.5188 -76.9182 -94.5189 -48.1845 28.7494 -76.9182 28.7494 -1.89775 GPRESSAVG: 2286800 17.6822 -93.1392 -74.5563 -97.0813 -47.9786 32.5846 -75.4256 25.8444 -1.07425 TIMING: 2286800 CPU: 7300.18, 0.00316738/step Wall: 7300.18, 0.00316738/step, 2.38715 hours remaining, 239.324219 MB of memory in use. ENERGY: 2286800 4018.9478 20640.5907 14400.1485 241.2698 -202850.1968 2222.5821 0.0000 0.0000 52178.6404 -109148.0175 299.8714 -161326.6578 -108781.8135 299.6175 -252.0146 -226.4970 761900.7535 -10.5057 -10.4569 PRESSURE: 2287000 -153.876 -194.965 82.447 -194.965 -166.706 104.411 82.4471 104.411 339.831 GPRESSURE: 2287000 -35.8071 -153.236 16.5409 -156.599 -100.07 16.1813 53.0796 64.2123 261.602 PRESSAVG: 2287000 -73.1738 -65.6314 -19.6674 -65.6314 10.2002 14.2434 -19.6675 14.2434 -17.1439 GPRESSAVG: 2287000 -72.6515 -66.9878 -22.7975 -64.8695 9.78744 12.4298 -20.2215 14.3603 -17.1235 TIMING: 2287000 CPU: 7300.81, 0.00316037/step Wall: 7300.81, 0.00316037/step, 2.38169 hours remaining, 239.324219 MB of memory in use. ENERGY: 2287000 4034.8690 20699.5608 14354.8754 245.1598 -203652.6835 2826.7949 0.0000 0.0000 52217.8497 -109273.5740 300.0967 -161491.4237 -108915.3307 299.8827 6.4162 41.9082 760177.4530 -26.7058 -26.6625 PRESSURE: 2287200 -263.972 -60.6159 194.354 -60.6152 41.8068 9.39582 194.354 9.39565 -475.858 GPRESSURE: 2287200 -236.745 -119.133 216.599 -107.696 46.6574 18.7157 121.778 19.7331 -425.433 PRESSAVG: 2287200 8.38897 -17.0103 -37.2575 -17.0103 -23.8026 46.1455 -37.2576 46.1455 10.1229 GPRESSAVG: 2287200 7.3606 -17.8605 -37.0399 -17.8441 -23.3442 48.7481 -37.8508 47.7873 10.4786 TIMING: 2287200 CPU: 7301.45, 0.00318213/step Wall: 7301.45, 0.00318213/step, 2.39791 hours remaining, 239.324219 MB of memory in use. ENERGY: 2287200 4056.2848 20649.7265 14383.2002 238.5310 -203102.5545 2373.3453 0.0000 0.0000 52223.6740 -109177.7928 300.1302 -161401.4667 -108807.8187 300.2780 -232.6744 -205.1735 760737.6348 -1.7636 -1.8350 PRESSURE: 2287400 60.6192 -14.5183 -61.8551 -14.5181 -88.5153 -146.202 -61.8548 -146.203 556.642 GPRESSURE: 2287400 113.489 -16.719 74.3729 -2.46232 -76.9845 -231.769 -130.581 -13.4992 572.392 PRESSAVG: 2287400 -44.1383 -6.49369 21.5798 -6.49362 32.4194 -53.4137 21.5799 -53.4138 -10.3716 GPRESSAVG: 2287400 -43.4195 -3.47798 21.8142 -5.93199 32.43 -56.1465 22.5716 -53.551 -11.2966 TIMING: 2287400 CPU: 7302.08, 0.00313999/step Wall: 7302.08, 0.00313999/step, 2.36599 hours remaining, 239.324219 MB of memory in use. ENERGY: 2287400 3931.5733 20662.4974 14430.2880 247.2064 -203260.9078 2505.8861 0.0000 0.0000 52174.3477 -109309.1087 299.8467 -161483.4564 -108937.8656 299.8526 176.2486 202.9655 759579.6642 -7.3635 -7.4287 PRESSURE: 2287600 81.0224 181.297 206.242 181.296 19.4038 -61.9211 206.242 -61.923 -69.0602 GPRESSURE: 2287600 133.474 158.942 209.323 104.129 -15.732 -63.9043 126.54 89.8897 -7.31746 PRESSAVG: 2287600 -7.8113 21.9689 13.2965 21.9689 -19.2667 -33.1572 13.2966 -33.1572 -4.56075 GPRESSAVG: 2287600 -6.9558 21.2607 13.7882 21.6606 -20.6539 -32.2491 11.4358 -34.6522 -4.38692 TIMING: 2287600 CPU: 7302.7, 0.0031445/step Wall: 7302.7, 0.0031445/step, 2.3692 hours remaining, 239.324219 MB of memory in use. ENERGY: 2287600 3988.0768 20447.8745 14363.2241 255.7998 -203423.3744 2628.3171 0.0000 0.0000 52300.6451 -109439.4369 300.5725 -161740.0820 -109075.4593 299.7061 10.4553 36.8082 760373.4020 -10.5463 -10.6655 PRESSURE: 2287800 -43.7183 -336.485 -100.399 -336.485 29.1623 166.978 -100.399 166.977 -53.179 GPRESSURE: 2287800 1.33367 -190.115 -52.9757 -265.436 80.9558 163.548 -97.2761 -0.599889 -42.9191 PRESSAVG: 2287800 102.032 -51.2157 -31.97 -51.2157 -88.7248 3.79312 -31.97 3.79303 -37.2406 GPRESSAVG: 2287800 100.246 -52.8451 -32.0988 -49.8836 -86.3039 3.66493 -30.295 4.92329 -37.64 TIMING: 2287800 CPU: 7303.34, 0.00317431/step Wall: 7303.34, 0.00317431/step, 2.39149 hours remaining, 239.324219 MB of memory in use. ENERGY: 2287800 3968.1605 20651.7569 14380.6345 246.8162 -203374.1646 2685.3337 0.0000 0.0000 51954.0944 -109487.3684 298.5809 -161441.4628 -109118.9805 299.3112 -22.5783 13.1235 762407.6113 -7.9776 -7.8992 PRESSURE: 2288000 26.4782 -77.152 91.0628 -77.1518 56.2793 -205.77 91.0631 -205.769 -269.089 GPRESSURE: 2288000 -36.6151 63.2097 98.5951 -83.772 159.346 -153.445 96.3401 -50.4123 -234.883 PRESSAVG: 2288000 4.94302 -31.0391 -23.4036 -31.0391 -4.76463 6.5445 -23.4036 6.54444 -15.9141 GPRESSAVG: 2288000 4.16341 -31.6799 -20.4491 -30.3372 -4.93796 6.45781 -25.3124 5.74758 -14.2674 TIMING: 2288000 CPU: 7303.97, 0.00316373/step Wall: 7303.97, 0.00316373/step, 2.38335 hours remaining, 239.324219 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: 2288000 3934.0263 20480.8263 14332.5674 249.1883 -203437.1662 2616.7507 0.0000 0.0000 52424.8746 -109398.9326 301.2865 -161823.8072 -109028.0478 300.0927 -62.1105 -37.3841 761583.5719 -5.2452 -5.0140 PRESSURE: 2288200 -65.6805 99.1138 -212.428 99.113 127.812 -21.5647 -212.428 -21.5659 -204.87 GPRESSURE: 2288200 48.1001 -85.5983 -126.124 62.746 87.4251 32.6639 -252.793 -5.86615 -181.208 PRESSAVG: 2288200 -16.8123 9.86775 4.23499 9.86777 12.0956 -41.5945 4.23497 -41.5945 21.1562 GPRESSAVG: 2288200 -16.0934 10.656 1.84704 7.43688 12.1416 -41.2394 7.28674 -41.3145 20.7916 TIMING: 2288200 CPU: 7304.61, 0.0031741/step Wall: 7304.61, 0.0031741/step, 2.39098 hours remaining, 239.324219 MB of memory in use. ENERGY: 2288200 3971.3213 20550.9943 14453.1439 244.5353 -203379.2150 2468.9519 0.0000 0.0000 52035.1267 -109655.1416 299.0466 -161690.2683 -109294.3770 299.3557 -47.5794 -15.2277 759843.2797 5.4798 5.6133 LDB: ============= START OF LOAD BALANCING ============== 7317.06 LDB: ============== END OF LOAD BALANCING =============== 7317.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7317.07 LDB: ============= START OF LOAD BALANCING ============== 7317.39 LDB: Largest compute 7031 load 0.035385 is 18.1% of average load 0.195306 LDB: Average compute 0.004377 is 2.2% of average load 0.195306 LDB: TIME 7317.39 LOAD: AVG 0.195306 MAX 0.215855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 7317.39 LOAD: AVG 0.195306 MAX 0.215855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 7317.39 LOAD: AVG 0.195306 MAX 0.215855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 7317.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7317.4 PRESSURE: 2288400 -611.926 153.682 11.4349 153.682 306.36 3.94195 11.4345 3.94231 101.399 GPRESSURE: 2288400 -490.521 38.178 60.0937 212.466 214.946 -15.2468 110.777 89.2313 152.219 PRESSAVG: 2288400 -25.2844 6.36907 5.95901 6.36909 6.63498 -1.66173 5.95904 -1.6618 -7.81912 GPRESSAVG: 2288400 -24.419 5.2996 5.96216 5.91322 4.67073 -2.23502 5.64774 -0.899263 -6.81214 TIMING: 2288400 CPU: 7305.26, 0.00326524/step Wall: 7305.26, 0.00326524/step, 2.45945 hours remaining, 241.578125 MB of memory in use. ENERGY: 2288400 3989.6433 20650.4495 14420.7596 238.2887 -203375.3217 2580.2312 0.0000 0.0000 51926.1563 -109569.7931 298.4203 -161495.9495 -109205.5963 299.0193 -68.0559 -41.1187 760166.7494 -8.8228 -8.8535 PRESSURE: 2288600 -39.4768 169.066 -2.35926 169.067 -247.823 14.0823 -2.35955 14.0827 163.443 GPRESSURE: 2288600 -53.3809 158.059 -25.399 135.315 -156.602 -35.7083 -79.4724 198.129 167.219 PRESSAVG: 2288600 7.95791 -43.8637 -25.3442 -43.8637 8.86621 -26.1345 -25.3442 -26.1345 -28.4751 GPRESSAVG: 2288600 8.34328 -41.9584 -23.882 -43.6087 9.7859 -26.3021 -27.6504 -26.2729 -29.9114 TIMING: 2288600 CPU: 7305.91, 0.00322945/step Wall: 7305.91, 0.00322945/step, 2.43232 hours remaining, 241.781250 MB of memory in use. ENERGY: 2288600 3998.1915 20690.8221 14369.6740 244.6146 -203610.4677 2621.8408 0.0000 0.0000 51925.4313 -109759.8934 298.4162 -161685.3247 -109392.5648 299.0043 -41.2855 -14.2546 759581.8305 -3.8837 -3.9274 PRESSURE: 2288800 -148.012 -231.195 112.726 -231.194 -310.584 -73.0683 112.727 -73.0685 -512.948 GPRESSURE: 2288800 -129.809 -174.62 185.544 -83.5108 -267.763 32.7123 114.632 -9.95694 -475.65 PRESSAVG: 2288800 2.66133 -43.0439 27.9776 -43.0439 -19.9964 6.27975 27.9776 6.27972 -2.81132 GPRESSAVG: 2288800 2.10912 -43.1977 27.1097 -40.237 -19.418 6.93109 28.4833 7.44739 -2.45603 TIMING: 2288800 CPU: 7306.54, 0.00318263/step Wall: 7306.54, 0.00318263/step, 2.39688 hours remaining, 241.781250 MB of memory in use. ENERGY: 2288800 4094.7260 20443.7156 14279.5947 267.6166 -203138.4699 2315.4837 0.0000 0.0000 51965.4890 -109771.8444 298.6464 -161737.3333 -109399.4611 298.6001 -323.8478 -291.0740 763056.4603 -6.7154 -6.5883 PRESSURE: 2289000 -127.194 128.696 -193.77 128.696 149.869 -53.8967 -193.771 -53.896 -52.7745 GPRESSURE: 2289000 -42.5727 134.477 -92.0489 87.3687 165.26 -61.655 -158.727 -122.313 -74.3383 PRESSAVG: 2289000 -21.3844 0.422432 80.7469 0.422353 27.5116 17.2717 80.7469 17.2717 18.2501 GPRESSAVG: 2289000 -22.1556 -1.76593 79.7796 -1.77839 27.5746 16.9891 79.1772 17.106 18.896 TIMING: 2289000 CPU: 7307.17, 0.0031547/step Wall: 7307.17, 0.00315469/step, 2.37566 hours remaining, 241.781250 MB of memory in use. ENERGY: 2289000 3998.0078 20481.5513 14350.1621 254.2263 -203514.5995 2565.5297 0.0000 0.0000 52003.6999 -109861.4223 298.8660 -161865.1222 -109505.9367 298.3638 -10.0330 16.1162 761446.8722 8.1258 8.1050 PRESSURE: 2289200 189.175 -1.5214 167.054 -1.52109 -315.364 -251.274 167.055 -251.274 -475.972 GPRESSURE: 2289200 142.312 17.7184 93.359 11.7666 -260.424 -260.333 281.832 -119.267 -411.793 PRESSAVG: 2289200 41.925 -16.477 17.1902 -16.477 19.003 0.460759 17.1902 0.460825 6.7406 GPRESSAVG: 2289200 42.83 -14.7159 17.9481 -16.9431 18.3489 -0.337412 17.6736 -0.405397 6.65233 TIMING: 2289200 CPU: 7307.8, 0.0031533/step Wall: 7307.8, 0.0031533/step, 2.37444 hours remaining, 241.781250 MB of memory in use. ENERGY: 2289200 3999.6551 20483.2611 14394.3169 266.7454 -203612.8629 2670.0145 0.0000 0.0000 52050.2799 -109748.5900 299.1337 -161798.8699 -109379.9040 299.0146 -200.7203 -176.6350 761652.3517 22.5562 22.6104 PRESSURE: 2289400 -171.642 -27.3952 -92.5041 -27.3952 -239.334 32.7126 -92.5033 32.7115 34.9653 GPRESSURE: 2289400 -61.6077 -41.5063 -88.1762 4.88871 -194.276 46.6405 -50.4854 38.1129 -14.3346 PRESSAVG: 2289400 1.40853 -35.006 -2.35881 -35.006 -4.07605 35.8055 -2.35877 35.8056 -11.2757 GPRESSAVG: 2289400 2.30386 -35.4255 -4.3486 -34.6256 -5.19183 35.9812 0.65362 34.5208 -11.3199 TIMING: 2289400 CPU: 7308.44, 0.00316685/step Wall: 7308.44, 0.00316685/step, 2.38446 hours remaining, 241.781250 MB of memory in use. ENERGY: 2289400 4055.9632 20423.1450 14374.5657 234.3902 -203457.2263 2700.5178 0.0000 0.0000 52115.3358 -109553.3086 299.5076 -161668.6444 -109183.1450 298.9238 -125.3370 -90.0728 762612.0596 -4.6477 -4.7360 PRESSURE: 2289600 58.3712 70.2492 67.9493 70.2491 221.372 -81.258 67.9486 -81.2575 169.205 GPRESSURE: 2289600 77.695 60.8517 50.8138 109.958 208.508 -134.965 -56.5612 167.413 256.726 PRESSAVG: 2289600 20.2214 -41.6218 86.9238 -41.6218 -16.6402 34.1899 86.9238 34.1899 20.531 GPRESSAVG: 2289600 19.5926 -41.4149 88.7217 -41.6495 -15.6568 35.8709 83.2625 34.9928 20.2123 TIMING: 2289600 CPU: 7309.07, 0.00318075/step Wall: 7309.07, 0.00318075/step, 2.39475 hours remaining, 241.781250 MB of memory in use. ENERGY: 2289600 4082.0468 20642.7281 14446.0901 256.6093 -203987.8709 3061.1312 0.0000 0.0000 52028.2321 -109471.0333 299.0070 -161499.2654 -109118.0123 299.1004 149.6493 180.9763 760376.4312 8.0374 8.0494 PRESSURE: 2289800 126.293 33.5232 -96.4013 33.523 89.3464 -26.3659 -96.4007 -26.3658 1.49323 GPRESSURE: 2289800 126.102 125.766 -118.178 46.8416 148.28 -5.55544 86.0445 -59.2287 6.04919 PRESSAVG: 2289800 7.57382 -5.95353 -9.06182 -5.95351 21.7216 28.4736 -9.06183 28.4737 15.6343 GPRESSAVG: 2289800 6.47829 -8.50627 -9.3733 -5.86813 22.3924 25.9299 -8.06329 27.237 16.02 TIMING: 2289800 CPU: 7309.71, 0.00317782/step Wall: 7309.71, 0.00317782/step, 2.39237 hours remaining, 241.781250 MB of memory in use. ENERGY: 2289800 3922.7384 20628.2194 14394.2287 212.4952 -203924.4034 2827.8833 0.0000 0.0000 52544.5216 -109394.3169 301.9741 -161938.8384 -109027.3676 299.8503 72.3776 93.4769 759705.3896 14.9766 14.9636 PRESSURE: 2290000 -101.823 174.679 203.786 174.679 -40.596 155.815 203.786 155.816 -9.41962 GPRESSURE: 2290000 -77.7341 170.938 229.246 207.97 56.8658 216.344 262.407 123.598 -46.0322 PRESSAVG: 2290000 -45.7952 -0.514089 67.9998 -0.514128 -3.27495 24.2099 67.9997 24.2099 1.33121 GPRESSAVG: 2290000 -46.1775 2.58083 66.2996 0.296912 -3.16082 25.4473 70.3456 23.656 1.19774 TIMING: 2290000 CPU: 7310.34, 0.00316711/step Wall: 7310.34, 0.00316711/step, 2.38413 hours remaining, 241.781250 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: 2290000 4022.2520 20661.4854 14426.7485 245.6152 -203501.2335 2559.7932 0.0000 0.0000 52401.0581 -109184.2810 301.1496 -161585.3391 -108820.5569 300.1935 -50.6130 -22.3002 760343.2077 -15.9130 -16.0469 PRESSURE: 2290200 -354.852 -164.123 -53.6228 -164.124 -152.347 1.36697 -53.6231 1.36759 -32.836 GPRESSURE: 2290200 -281.144 -112.19 -57.1695 -100.268 -149.571 18.8253 -17.9479 70.7362 -44.4869 PRESSAVG: 2290200 -18.9432 7.73989 36.7297 7.73989 -16.4131 23.605 36.7298 23.6051 12.85 GPRESSAVG: 2290200 -17.6038 5.46056 39.3063 6.93383 -17.5846 25.0591 34.8096 25.477 12.698 TIMING: 2290200 CPU: 7310.97, 0.00314783/step Wall: 7310.97, 0.00314783/step, 2.36945 hours remaining, 241.781250 MB of memory in use. ENERGY: 2290200 4026.8732 20673.2965 14369.9105 240.5734 -202763.0063 2072.1586 0.0000 0.0000 52029.1946 -109350.9995 299.0125 -161380.1941 -108974.6977 300.0560 -180.0119 -158.4006 761466.4433 -7.5021 -7.4968 PRESSURE: 2290400 23.5257 -75.8625 18.9011 -75.8613 380.968 -238.462 18.9018 -238.461 -153.926 GPRESSURE: 2290400 86.7599 -28.8263 39.9082 -81.3893 317.04 -232.708 -39.7527 -92.4735 -50.6788 PRESSAVG: 2290400 29.2784 4.53453 63.7081 4.53453 -62.8284 67.2178 63.7082 67.218 5.48096 GPRESSAVG: 2290400 29.5766 5.29118 62.878 5.57368 -62.8483 65.0454 62.768 67.2766 5.44069 TIMING: 2290400 CPU: 7311.6, 0.00316171/step Wall: 7311.6, 0.00316171/step, 2.37972 hours remaining, 241.781250 MB of memory in use. ENERGY: 2290400 4018.8597 20584.2386 14393.0117 254.3696 -203138.6404 2244.3227 0.0000 0.0000 52219.6451 -109424.1932 300.1070 -161643.8383 -109053.0360 299.4234 83.5226 117.7070 759807.9948 -9.3563 -9.2770 PRESSURE: 2290600 -40.3205 -10.1087 -19.7048 -10.1086 315.371 -64.8909 -19.7048 -64.8901 -100.535 GPRESSURE: 2290600 31.396 40.2991 -59.5779 57.2987 299.286 51.8441 -16.4433 -176.357 -47.7145 PRESSAVG: 2290600 52.7021 -14.8598 -15.9365 -14.8598 -21.902 56.5231 -15.9365 56.5231 -2.86757 GPRESSAVG: 2290600 52.0544 -15.9554 -17.6684 -15.5397 -22.0612 57.4024 -14.8138 54.1892 -1.60982 TIMING: 2290600 CPU: 7312.24, 0.00316423/step Wall: 7312.24, 0.00316423/step, 2.38144 hours remaining, 241.781250 MB of memory in use. ENERGY: 2290600 4006.7380 20640.7177 14425.6933 244.8046 -203660.5462 2830.1306 0.0000 0.0000 52188.5615 -109323.9005 299.9284 -161512.4620 -108951.2694 300.3092 58.1716 94.3225 758142.2926 9.3109 9.4611 PRESSURE: 2290800 -478.41 -216.824 -105.492 -216.824 -270.773 -11.5436 -105.493 -11.542 -272.656 GPRESSURE: 2290800 -437.235 -264.728 -89.2512 -169.584 -251.256 49.07 -206.617 47.9975 -254.95 PRESSAVG: 2290800 51.1507 -73.9999 -12.8409 -74 -17.9087 -11.8545 -12.8409 -11.8544 1.63147 GPRESSAVG: 2290800 51.8344 -73.8872 -11.0627 -71.637 -18.2303 -13.1153 -12.4848 -10.3354 0.95238 TIMING: 2290800 CPU: 7312.87, 0.0031613/step Wall: 7312.87, 0.0031613/step, 2.37905 hours remaining, 241.781250 MB of memory in use. ENERGY: 2290800 3997.6596 20689.1258 14439.6672 236.9441 -203043.9677 2250.9951 0.0000 0.0000 52046.7911 -109382.7849 299.1136 -161429.5759 -109019.1526 300.0393 -340.6128 -314.4802 760806.4851 11.6245 11.5188 PRESSURE: 2291000 -141.855 -94.6101 -176 -94.6103 -306.709 68.3811 -175.999 68.382 40.9107 GPRESSURE: 2291000 -97.8531 -13.4393 -216.981 -103.823 -230.595 103.52 -150.345 -56.6727 3.16562 PRESSAVG: 2291000 -20.1835 -85.2432 1.29112 -85.2432 31.7943 43.6092 1.2911 43.6091 -3.19072 GPRESSAVG: 2291000 -20.2419 -86.3639 0.981953 -87.6697 31.9612 44.4477 -0.657029 44.844 -3.53262 TIMING: 2291000 CPU: 7313.5, 0.00315934/step Wall: 7313.5, 0.00315934/step, 2.3774 hours remaining, 241.781250 MB of memory in use. ENERGY: 2291000 3959.7123 20711.0352 14428.6245 246.3672 -203298.9776 2449.7959 0.0000 0.0000 52171.5090 -109331.9334 299.8304 -161503.4424 -108963.6535 299.4708 -135.8845 -108.4274 762336.4517 2.8067 2.7289 PRESSURE: 2291200 -122.225 -94.7011 5.86174 -94.7013 -159.24 -92.0946 5.86212 -92.0949 124.421 GPRESSURE: 2291200 -112.797 -75.2753 49.5667 -94.475 -89.6607 -59.4707 92.5578 -90.1186 137.725 PRESSAVG: 2291200 42.7681 -2.27988 -32.1966 -2.27987 -22.9657 77.3007 -32.1966 77.3006 2.05553 GPRESSAVG: 2291200 42.2299 0.05892 -32.4688 -2.01634 -22.8721 75.6914 -28.9471 75.3103 2.92147 TIMING: 2291200 CPU: 7314.14, 0.00318182/step Wall: 7314.14, 0.00318182/step, 2.39414 hours remaining, 241.781250 MB of memory in use. ENERGY: 2291200 4053.8921 20578.2399 14478.9674 239.7966 -203624.0145 2779.2796 0.0000 0.0000 52215.0676 -109278.7713 300.0807 -161493.8389 -108927.5528 299.6727 -52.3481 -21.5776 759295.4337 7.2860 7.4264 PRESSURE: 2291400 -257.637 -50.8938 101.376 -50.8937 -329.496 8.06895 101.377 8.06918 67.7869 GPRESSURE: 2291400 -169.87 -126.637 106.639 -16.0072 -285.579 -1.59315 115.247 114.859 31.6792 PRESSAVG: 2291400 66.8371 -53.2908 -50.8493 -53.2908 -25.0401 -2.03666 -50.8493 -2.03668 20.3385 GPRESSAVG: 2291400 67.6869 -55.7201 -49.6976 -51.0062 -25.3063 -1.7019 -52.6488 -0.167501 20.66 TIMING: 2291400 CPU: 7314.78, 0.00320589/step Wall: 7314.78, 0.00320589/step, 2.41208 hours remaining, 241.781250 MB of memory in use. ENERGY: 2291400 3946.3452 20535.2724 14485.1257 217.9864 -203394.1448 2489.2788 0.0000 0.0000 52329.4080 -109390.7284 300.7378 -161720.1364 -109024.7876 299.6988 -173.1153 -141.2566 760699.8255 20.7119 21.0135 PRESSURE: 2291600 33.4744 -39.4881 284.683 -39.4885 -149.951 -29.3713 284.682 -29.3705 65.1734 GPRESSURE: 2291600 18.3157 -102.422 216.863 -7.40423 -141.294 -59.7707 374.548 -61.2595 145.522 PRESSAVG: 2291600 38.0046 -65.6956 -8.75618 -65.6955 -63.8849 52.1064 -8.75623 52.1063 15.581 GPRESSAVG: 2291600 36.9073 -64.4467 -9.17188 -65.1854 -62.0977 52.9198 -9.08978 51.6757 15.2929 TIMING: 2291600 CPU: 7315.41, 0.00318018/step Wall: 7315.41, 0.00318018/step, 2.39256 hours remaining, 241.781250 MB of memory in use. ENERGY: 2291600 3938.1691 20612.2287 14394.3254 231.2230 -203232.0947 2688.9421 0.0000 0.0000 52188.1254 -109179.0809 299.9259 -161367.2063 -108817.2048 300.2010 -17.1010 7.5144 762297.9066 -3.4331 -3.2992 PRESSURE: 2291800 50.8088 -113.05 259.369 -113.05 34.7151 -43.8519 259.369 -43.8514 -29.5684 GPRESSURE: 2291800 144.021 -107.346 208.41 -20.4117 4.84612 -91.8362 163.789 -51.7249 -19.165 PRESSAVG: 2291800 76.9886 -36.3382 19.3819 -36.3382 -104.084 -2.9267 19.3819 -2.9267 10.0589 GPRESSAVG: 2291800 77.1128 -36.7476 19.0091 -38.1341 -104.774 -2.91747 21.0549 -3.33989 10.4697 TIMING: 2291800 CPU: 7316.05, 0.00315919/step Wall: 7316.05, 0.00315919/step, 2.37659 hours remaining, 241.781250 MB of memory in use. ENERGY: 2291800 3924.1283 20472.0427 14471.3898 227.5518 -202946.3731 2481.2392 0.0000 0.0000 52040.6126 -109329.4088 299.0781 -161370.0214 -108964.6394 299.6536 18.6518 43.2340 762827.3474 -5.6789 -5.7305 PRESSURE: 2292000 25.5084 -10.8841 -3.67252 -10.8851 168.249 157.805 -3.6713 157.804 -95.7359 GPRESSURE: 2292000 109.786 -69.7717 -103.682 48.5641 125.712 243.154 74.0791 40.991 -63.0645 PRESSAVG: 2292000 -4.82452 -84.0816 48.4099 -84.0816 -7.36394 -33.743 48.4099 -33.743 14.7761 GPRESSAVG: 2292000 -3.9774 -82.3902 49.4235 -83.8292 -7.75022 -32.4196 47.659 -34.6566 15.1889 TIMING: 2292000 CPU: 7316.68, 0.00316288/step Wall: 7316.68, 0.00316288/step, 2.37919 hours remaining, 241.781250 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: 2292000 3997.0020 20568.1746 14376.1739 239.0020 -203253.6057 2617.3219 0.0000 0.0000 52166.3683 -109289.5630 299.8008 -161455.9313 -108930.5478 299.4192 32.6738 57.4779 762776.0579 0.8625 1.1538 PRESSURE: 2292200 160.05 232.166 49.8799 232.165 75.8772 -32.4811 49.8799 -32.4819 41.766 GPRESSURE: 2292200 111.041 159.215 42.211 158.497 201.48 -154.906 37.3275 -75.7568 49.7232 PRESSAVG: 2292200 0.618196 -31.2802 -42.0214 -31.2802 27.1932 -36.1531 -42.0213 -36.1531 1.60694 GPRESSAVG: 2292200 -1.17299 -31.3114 -41.6654 -31.3878 29.0196 -36.6689 -41.3822 -36.2433 1.2065 TIMING: 2292200 CPU: 7317.31, 0.00316175/step Wall: 7317.31, 0.00316175/step, 2.37816 hours remaining, 241.781250 MB of memory in use. ENERGY: 2292200 3965.1281 20490.5480 14378.9444 253.1074 -203275.8833 2888.0211 0.0000 0.0000 51884.5935 -109415.5407 298.1815 -161300.1343 -109049.5334 299.5338 92.5644 120.7479 761320.0707 9.8061 9.6844 LDB: ============= START OF LOAD BALANCING ============== 7329.76 LDB: ============== END OF LOAD BALANCING =============== 7329.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7329.77 LDB: ============= START OF LOAD BALANCING ============== 7330.08 LDB: Largest compute 7057 load 0.035555 is 18.2% of average load 0.195236 LDB: Average compute 0.004398 is 2.3% of average load 0.195236 LDB: TIME 7330.08 LOAD: AVG 0.195236 MAX 0.218938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 7330.09 LOAD: AVG 0.195236 MAX 0.218938 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 7330.09 LOAD: AVG 0.195236 MAX 0.216972 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 7330.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7330.09 PRESSURE: 2292400 -57.338 -365.182 200.791 -365.182 201.514 -52.4956 200.79 -52.4948 -355.515 GPRESSURE: 2292400 22.4429 -233.989 194.673 -270.377 197.534 -143.936 172.76 -79.554 -357.323 PRESSAVG: 2292400 -14.8863 -37.8861 -12.9815 -37.8862 34.834 -34.0431 -12.9814 -34.0431 15.9392 GPRESSAVG: 2292400 -13.5718 -36.6782 -13.9465 -38.1373 33.8786 -33.8186 -13.3518 -33.7981 15.8103 TIMING: 2292400 CPU: 7317.96, 0.00322582/step Wall: 7317.96, 0.00322582/step, 2.42618 hours remaining, 240.039062 MB of memory in use. ENERGY: 2292400 4066.7363 20644.5908 14477.2361 246.6331 -203300.4927 2614.9424 0.0000 0.0000 51851.5773 -109398.7766 297.9917 -161250.3538 -109044.9004 299.6496 -70.4462 -45.7819 761399.8532 11.9623 12.0390 PRESSURE: 2292600 10.3341 -144.123 187.173 -144.122 -533.751 60.1931 187.174 60.1926 147.579 GPRESSURE: 2292600 19.3039 -284.38 160.453 -68.958 -523.515 114.171 231.406 46.9327 201.803 PRESSAVG: 2292600 23.3679 -95.105 -35.5552 -95.105 -24.6423 28.4531 -35.5552 28.4531 7.44437 GPRESSAVG: 2292600 22.687 -95.9365 -36.4312 -94.1554 -25.6754 28.0144 -34.9469 29.0982 8.08707 TIMING: 2292600 CPU: 7318.59, 0.00318645/step Wall: 7318.59, 0.00318645/step, 2.39639 hours remaining, 240.039062 MB of memory in use. ENERGY: 2292600 3969.0293 20659.1475 14403.0608 241.2868 -203234.0256 2535.6857 0.0000 0.0000 51915.8862 -109509.9293 298.3613 -161425.8154 -109154.2524 299.5679 -125.2794 -100.8026 761772.2150 2.0566 1.6996 PRESSURE: 2292800 42.8837 -86.2165 -173.458 -86.2157 -115.53 -0.05866 -173.458 -0.0587723 474.751 GPRESSURE: 2292800 63.1483 21.0875 -219.987 -103.082 -50.5773 -106.182 -156.951 -35.556 480.894 PRESSAVG: 2292800 12.9552 -75.2932 -58.4395 -75.2932 -28.1726 29.5795 -58.4396 29.5796 14.7373 GPRESSAVG: 2292800 13.7535 -76.2643 -56.6554 -77.5459 -27.9194 29.6065 -59.3562 30.1434 13.9021 TIMING: 2292800 CPU: 7319.23, 0.00316474/step Wall: 7319.23, 0.00316474/step, 2.37989 hours remaining, 240.039062 MB of memory in use. ENERGY: 2292800 3923.0406 20601.4034 14438.7807 261.9321 -203501.7549 2630.7204 0.0000 0.0000 52145.1572 -109500.7205 299.6789 -161645.8776 -109142.9054 299.6498 134.0347 164.4883 761400.9287 -0.1600 -0.0880 PRESSURE: 2293000 261.312 115.049 -137.854 115.049 18.8646 105.359 -137.853 105.359 -651.561 GPRESSURE: 2293000 212.326 26.9388 -167.91 125.423 76.9667 17.0556 -18.7693 -22.3503 -578.488 PRESSAVG: 2293000 -33.887 -40.3515 -28.1502 -40.3515 22.8306 -2.06965 -28.1502 -2.06962 -9.21374 GPRESSAVG: 2293000 -35.3073 -39.1974 -27.3033 -38.2878 24.4235 -0.820664 -26.8751 -4.14082 -8.93918 TIMING: 2293000 CPU: 7319.87, 0.00319114/step Wall: 7319.87, 0.00319114/step, 2.39956 hours remaining, 240.039062 MB of memory in use. ENERGY: 2293000 4108.2811 20585.7777 14391.8719 253.2330 -203671.9624 2649.9882 0.0000 0.0000 52186.4718 -109496.3387 299.9164 -161682.8105 -109143.3612 299.4158 -123.7946 -96.3981 762692.1310 -6.7567 -6.6077 PRESSURE: 2293200 -44.2124 -43.6021 43.9613 -43.602 -163.445 -392.022 43.9609 -392.022 246.498 GPRESSURE: 2293200 -46.9774 -10.7937 11.3798 -215.361 -89.1403 -293.57 89.8698 -300.288 280.052 PRESSAVG: 2293200 -12.4184 -27.272 -7.92494 -27.272 10.0786 -7.19182 -7.92492 -7.19178 -16.367 GPRESSAVG: 2293200 -11.9023 -27.8196 -8.907 -27.4517 8.86517 -7.56778 -8.92748 -8.17103 -15.8977 TIMING: 2293200 CPU: 7320.51, 0.00320707/step Wall: 7320.51, 0.00320707/step, 2.41136 hours remaining, 240.039062 MB of memory in use. ENERGY: 2293200 3994.2627 20304.1064 14425.6458 243.0995 -203443.6177 2695.2733 0.0000 0.0000 52089.9635 -109691.2664 299.3617 -161781.2299 -109328.2095 299.1012 12.9467 47.9780 760956.3358 -6.2356 -6.3116 PRESSURE: 2293400 371.858 -48.1285 -52.8778 -48.1282 389.078 181.453 -52.8785 181.453 580.717 GPRESSURE: 2293400 409.669 -79.953 -102.334 -2.96797 397.585 209.317 43.0711 13.3212 611.024 PRESSAVG: 2293400 -4.47143 -50.8692 -79.7021 -50.8693 -18.4688 45.1714 -79.7021 45.1714 -19.7279 GPRESSAVG: 2293400 -4.98418 -51.1333 -79.1396 -49.6568 -18.5478 45.4939 -79.5036 47.5699 -19.2591 TIMING: 2293400 CPU: 7321.14, 0.00316195/step Wall: 7321.14, 0.00316195/step, 2.37726 hours remaining, 240.039062 MB of memory in use. ENERGY: 2293400 3895.7380 20470.5616 14371.3841 245.4574 -203548.5181 2658.7200 0.0000 0.0000 51917.1296 -109989.5275 298.3685 -161906.6571 -109628.9312 298.4190 447.2177 472.7591 759424.2586 -14.2227 -14.2637 PRESSURE: 2293600 -234.669 -112.527 -3.94278 -112.525 -266.148 -142.525 -3.94277 -142.526 -96.8721 GPRESSURE: 2293600 -146.966 105.203 -22.1472 -150.638 -276.854 -70.5671 -5.59026 -186.02 -107.069 PRESSAVG: 2293600 -4.6364 -85.711 53.1047 -85.711 13.1239 3.96072 53.1047 3.96071 16.7672 GPRESSAVG: 2293600 -4.3663 -85.7456 52.2469 -87.0321 12.7383 1.68555 52.1322 4.60836 16.0303 TIMING: 2293600 CPU: 7321.78, 0.0031851/step Wall: 7321.78, 0.0031851/step, 2.39449 hours remaining, 240.039062 MB of memory in use. ENERGY: 2293600 4030.4990 20498.4613 14392.3761 253.0152 -203376.3204 2347.4682 0.0000 0.0000 51987.6734 -109866.8271 298.7739 -161854.5006 -109504.3703 298.6083 -199.2295 -176.9633 760198.1500 8.4183 8.1341 PRESSURE: 2293800 81.2798 185.433 -28.3217 185.433 -288.994 36.4707 -28.3213 36.4709 -233.786 GPRESSURE: 2293800 107.395 94.9681 -93.7802 182.312 -211.669 5.43962 -31.241 127.972 -253.756 PRESSAVG: 2293800 -36.5545 -12.6852 -18.3264 -12.6853 4.18059 -23.8486 -18.3264 -23.8487 -16.7215 GPRESSAVG: 2293800 -35.3851 -13.2651 -18.0353 -10.9566 4.551 -23.3802 -16.8962 -24.3728 -18.0486 TIMING: 2293800 CPU: 7322.41, 0.00319146/step Wall: 7322.41, 0.00319146/step, 2.39909 hours remaining, 240.039062 MB of memory in use. ENERGY: 2293800 4047.9345 20591.9224 14370.1864 254.1522 -203557.1341 2449.9072 0.0000 0.0000 52156.8239 -109686.2075 299.7460 -161843.0314 -109325.3660 298.9686 -147.1666 -119.3431 760466.3471 -16.3651 -16.2942 PRESSURE: 2294000 -324.399 4.59778 10.6143 4.59795 -7.33479 241.304 10.6131 241.304 -10.8904 GPRESSURE: 2294000 -201.427 -18.9391 5.00463 16.1435 -83.6141 286.738 1.28926 108.076 43.9627 PRESSAVG: 2294000 16.6389 -23.1324 -43.0523 -23.1324 10.8543 23.0492 -43.0523 23.0492 5.62625 GPRESSAVG: 2294000 15.6564 -22.733 -43.4242 -25.6114 9.81585 23.3684 -42.1714 21.393 7.64585 TIMING: 2294000 CPU: 7323.05, 0.00318721/step Wall: 7323.05, 0.00318721/step, 2.39572 hours remaining, 240.039062 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: 2294000 3924.1621 20435.3435 14325.6707 233.0603 -203510.7020 2327.0567 0.0000 0.0000 52459.3471 -109806.0615 301.4846 -162265.4086 -109429.8738 298.8719 -114.2081 -80.3595 760878.2264 11.0398 11.0394 PRESSURE: 2294200 143.795 -41.1294 -106.365 -41.1293 -240.394 -10.05 -106.365 -10.0501 -100.347 GPRESSURE: 2294200 135.427 74.1533 -75.9373 -202.929 -182.379 8.92438 -193.589 5.25413 -54.8742 PRESSAVG: 2294200 -48.6941 -21.9823 12.3203 -21.9822 21.7185 22.4311 12.3203 22.4311 -4.55 GPRESSAVG: 2294200 -48.8883 -20.7205 12.5433 -23.3821 21.8791 21.9645 10.6281 23.0049 -4.94504 TIMING: 2294200 CPU: 7323.69, 0.00317812/step Wall: 7323.69, 0.00317812/step, 2.38871 hours remaining, 240.039062 MB of memory in use. ENERGY: 2294200 3887.0331 20510.3249 14312.0411 227.4022 -203233.6490 2432.0166 0.0000 0.0000 52082.1032 -109782.7280 299.3166 -161864.8312 -109415.5160 298.7670 -65.6486 -33.9420 762415.8154 -10.5085 -10.6514 PRESSURE: 2294400 -63.342 62.3614 -90.9964 62.3613 156.213 -166.416 -90.9971 -166.417 -327.854 GPRESSURE: 2294400 -16.7509 9.99878 -20.7256 21.0025 103.422 -119.699 -122.536 -230.461 -242.806 PRESSAVG: 2294400 15.6214 -40.6892 -13.2581 -40.6892 -17.5466 -2.58545 -13.2581 -2.58549 -13.0229 GPRESSAVG: 2294400 16.3807 -41.128 -14.3551 -39.157 -17.4898 -1.23874 -13.4398 -3.33634 -13.7738 TIMING: 2294400 CPU: 7324.32, 0.00314623/step Wall: 7324.32, 0.00314623/step, 2.36456 hours remaining, 240.039062 MB of memory in use. ENERGY: 2294400 3973.5227 20533.7759 14368.3294 242.6305 -203113.8848 2548.4599 0.0000 0.0000 51929.2185 -109517.9480 298.4379 -161447.1664 -109169.2527 298.5784 -78.3275 -52.0451 762937.3318 -4.9827 -4.9610 PRESSURE: 2294600 -390.538 -7.52174 -20.4846 -7.52203 -30.9733 108.45 -20.4849 108.45 -167.124 GPRESSURE: 2294600 -268.142 -12.1464 -85.6919 2.89348 -22.3743 140.735 -46.5972 81.7802 -207.242 PRESSAVG: 2294600 -13.5611 -17.9661 24.8656 -17.9661 -13.0445 4.90651 24.8657 4.90659 6.15408 GPRESSAVG: 2294600 -13.81 -18.3838 25.5249 -18.0632 -13.3662 4.34903 24.2632 7.67373 6.94426 TIMING: 2294600 CPU: 7324.95, 0.00317522/step Wall: 7324.95, 0.00317522/step, 2.38618 hours remaining, 240.039062 MB of memory in use. ENERGY: 2294600 4051.7196 20471.1898 14347.8636 223.2836 -203097.1928 2403.0876 0.0000 0.0000 52021.5521 -109578.4965 298.9686 -161600.0486 -109224.0108 298.9242 -196.2117 -165.9193 763786.4810 -6.8172 -6.7440 PRESSURE: 2294800 -123.513 -88.7408 125.66 -88.7405 -341.63 -30.9337 125.659 -30.9337 -80.2696 GPRESSURE: 2294800 -131.153 -168.921 122.944 -222.778 -243.85 -45.1494 187.299 49.4533 -75.7395 PRESSAVG: 2294800 10.5145 -51.4837 37.925 -51.4837 7.71075 40.4054 37.925 40.4055 17.1595 GPRESSAVG: 2294800 10.0514 -52.5927 38.9968 -50.1886 9.36304 40.9973 38.8533 39.4439 15.8996 TIMING: 2294800 CPU: 7325.59, 0.00318753/step Wall: 7325.59, 0.00318754/step, 2.39526 hours remaining, 240.039062 MB of memory in use. ENERGY: 2294800 4057.8814 20530.0550 14423.7556 239.3485 -203181.0190 2627.4371 0.0000 0.0000 51920.7500 -109381.7914 298.3893 -161302.5414 -109023.2173 299.0614 -181.8043 -150.2478 762810.1482 11.7949 11.7714 PRESSURE: 2295000 -160.985 -3.56275 -195.65 -3.56335 41.9494 -3.29337 -195.65 -3.29362 -28.6954 GPRESSURE: 2295000 -206.284 -49.9962 -157.188 -19.5858 85.1458 -23.1801 -125.064 75.7556 69.1273 PRESSAVG: 2295000 2.34786 -100.073 14.2645 -100.073 -18.9609 17.0406 14.2645 17.0406 -1.91909 GPRESSAVG: 2295000 2.76216 -100.159 14.2309 -99.319 -21.3018 16.8258 15.3041 15.9458 -0.173447 TIMING: 2295000 CPU: 7326.22, 0.00315933/step Wall: 7326.22, 0.00315933/step, 2.37388 hours remaining, 240.039062 MB of memory in use. ENERGY: 2295000 4032.5809 20588.3944 14461.8701 252.7840 -203311.6149 2423.7236 0.0000 0.0000 52253.3868 -109298.8751 300.3009 -161552.2619 -108946.7024 299.6617 -49.2435 -17.3368 760849.2643 -6.1774 -6.2377 PRESSURE: 2295200 -196.312 110.984 102.554 110.985 -510.978 -54.263 102.554 -54.2628 -344.008 GPRESSURE: 2295200 -134.79 64.7048 232.154 -38.5735 -501.493 -42.0432 50.2223 -44.3434 -332.615 PRESSAVG: 2295200 66.9895 -56.0045 19.6777 -56.0046 -33.555 -6.82958 19.6777 -6.82954 11.1802 GPRESSAVG: 2295200 66.1488 -54.6542 18.5371 -58.0298 -32.7242 -6.81186 20.3746 -6.16172 11.3747 TIMING: 2295200 CPU: 7326.86, 0.00317947/step Wall: 7326.86, 0.00317947/step, 2.38884 hours remaining, 240.039062 MB of memory in use. ENERGY: 2295200 3984.0017 20536.6572 14453.9481 244.4587 -202852.6138 2237.3780 0.0000 0.0000 52257.2287 -109138.9414 300.3230 -161396.1702 -108777.1522 300.0070 -350.4327 -322.9661 762723.8220 14.8716 14.9331 PRESSURE: 2295400 -21.7738 -70.0274 -61.2253 -70.0275 -12.8787 -166.118 -61.226 -166.117 83.8612 GPRESSURE: 2295400 -34.1414 -0.764624 -161.916 -79.2668 92.2753 -227.601 3.38848 -184.607 63.4924 PRESSAVG: 2295400 56.2448 -44.1039 -28.8776 -44.1039 -27.9481 -8.58516 -28.8777 -8.58512 -19.8467 GPRESSAVG: 2295400 57.0587 -43.7456 -27.6932 -44.7798 -27.0345 -10.1032 -29.5364 -7.82352 -21.1795 TIMING: 2295400 CPU: 7327.49, 0.00314488/step Wall: 7327.49, 0.00314488/step, 2.36267 hours remaining, 240.039062 MB of memory in use. ENERGY: 2295400 4005.7750 20528.5840 14470.0190 273.0458 -203113.0802 2476.0551 0.0000 0.0000 52126.0169 -109233.5843 299.5689 -161359.6012 -108882.4118 299.6602 16.4029 40.5421 760484.3480 2.8167 2.9482 PRESSURE: 2295600 -8.45207 -96.6583 165.735 -96.6583 95.9876 -116.684 165.735 -116.683 341.126 GPRESSURE: 2295600 73.4415 -121.903 162.824 -42.0315 117.49 -149.63 114.431 -140.718 312.352 PRESSAVG: 2295600 -46.6169 -56.1243 6.40647 -56.1243 39.0925 -68.8159 6.40645 -68.8159 -9.25958 GPRESSAVG: 2295600 -46.1091 -58.5429 7.60573 -53.0779 39.4112 -67.1675 3.83331 -69.9449 -9.91618 TIMING: 2295600 CPU: 7328.12, 0.0031476/step Wall: 7328.12, 0.0031476/step, 2.36455 hours remaining, 240.039062 MB of memory in use. ENERGY: 2295600 3936.6996 20600.0125 14387.7722 238.2601 -203106.8029 2663.3312 0.0000 0.0000 52190.4978 -109090.2294 299.9395 -161280.7273 -108721.4337 300.1964 142.8873 167.7611 761712.3064 -5.5947 -5.5380 PRESSURE: 2295800 138.248 22.3448 -15.0399 22.3457 92.0182 -80.4441 -15.0392 -80.4439 -28.8203 GPRESSURE: 2295800 23.7184 74.5805 87.2498 26.789 202.997 47.8929 -27.7734 -274.887 44.6505 PRESSAVG: 2295800 0.915013 -24.7767 50.367 -24.7767 11.0321 -10.8697 50.367 -10.8697 19.6372 GPRESSAVG: 2295800 1.59848 -23.8519 50.3875 -25.9021 9.58958 -11.5096 51.7266 -11.2174 21.2301 TIMING: 2295800 CPU: 7328.75, 0.00318056/step Wall: 7328.75, 0.00318056/step, 2.38913 hours remaining, 240.039062 MB of memory in use. ENERGY: 2295800 3999.5632 20466.6100 14413.9309 240.6067 -203641.1163 2846.5462 0.0000 0.0000 52388.8095 -109285.0498 301.0792 -161673.8593 -108919.1326 299.8194 67.1487 90.4553 760535.4400 10.5281 10.8060 PRESSURE: 2296000 217.967 121.921 -151.306 121.92 -291.247 174.732 -151.306 174.73 -398.953 GPRESSURE: 2296000 122.237 114.477 -270.338 -30.882 -259.435 178.022 -2.08619 187.653 -256.044 PRESSAVG: 2296000 -10.95 -32.565 14.3254 -32.5651 11.3828 29.4133 14.3254 29.4133 -4.50052 GPRESSAVG: 2296000 -11.5755 -33.1263 14.0366 -32.045 11.6986 29.604 14.9 29.4045 -4.45974 TIMING: 2296000 CPU: 7329.39, 0.00318347/step Wall: 7329.39, 0.00318347/step, 2.39114 hours remaining, 240.039062 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: 2296000 4051.2949 20532.9204 14399.1746 259.2711 -202949.8669 2487.1845 0.0000 0.0000 51973.1308 -109246.8907 298.6903 -161220.0215 -108887.7036 299.9148 -157.4111 -131.0807 764818.1022 -1.3559 -1.4456 PRESSURE: 2296200 -69.5563 -296.225 247.291 -296.225 -94.8521 108.521 247.29 108.52 -20.461 GPRESSURE: 2296200 -24.1636 -223.357 226.284 -283.058 -29.1114 145.916 142.339 20.4831 -40.6619 PRESSAVG: 2296200 56.0183 -26.7866 6.58347 -26.7865 -66.1106 38.2645 6.58349 38.2645 7.08591 GPRESSAVG: 2296200 56.4739 -27.549 6.44081 -26.7594 -66.3265 38.308 5.79893 39.7963 6.50397 TIMING: 2296200 CPU: 7330.03, 0.00320921/step Wall: 7330.03, 0.00320921/step, 2.41029 hours remaining, 240.039062 MB of memory in use. ENERGY: 2296200 3972.1108 20551.4922 14347.6948 254.9054 -203309.4594 2643.2718 0.0000 0.0000 52184.7140 -109355.2705 299.9063 -161539.9845 -108986.9012 299.3334 -61.6232 -31.3123 762567.6822 -1.0021 -1.1162 LDB: ============= START OF LOAD BALANCING ============== 7342.49 LDB: ============== END OF LOAD BALANCING =============== 7342.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7342.49 LDB: ============= START OF LOAD BALANCING ============== 7342.81 LDB: Largest compute 7076 load 0.034743 is 17.8% of average load 0.195140 LDB: Average compute 0.004421 is 2.3% of average load 0.195140 LDB: TIME 7342.81 LOAD: AVG 0.19514 MAX 0.214231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 7342.81 LOAD: AVG 0.19514 MAX 0.214231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.875 MB LDB: TIME 7342.81 LOAD: AVG 0.19514 MAX 0.214231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.875 MB LDB: ============== END OF LOAD BALANCING =============== 7342.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7342.82 PRESSURE: 2296400 134.591 143.615 -171.377 143.615 -265.052 36.5295 -171.377 36.5292 -169.918 GPRESSURE: 2296400 79.3078 230.115 -98.43 153.189 -197.922 75.2009 -74.3237 -64.9443 -104.039 PRESSAVG: 2296400 -18.9089 -34.4451 7.48949 -34.4451 43.3288 17.5938 7.48943 17.5938 -17.5641 GPRESSAVG: 2296400 -19.8653 -33.8825 7.43279 -33.301 43.7715 18.4258 9.11329 15.9286 -17.5753 TIMING: 2296400 CPU: 7330.68, 0.00325786/step Wall: 7330.68, 0.00325787/step, 2.44666 hours remaining, 240.609375 MB of memory in use. ENERGY: 2296400 3921.5909 20685.5252 14346.9567 232.2506 -203221.3540 2512.7221 0.0000 0.0000 52034.1118 -109488.1966 299.0408 -161522.3084 -109123.6081 299.8290 -100.1263 -74.2177 762179.5169 2.2853 2.1103 PRESSURE: 2296600 -49.6569 2.56085 165.608 2.56086 103.099 40.7591 165.609 40.7585 -15.9871 GPRESSURE: 2296600 -10.6147 -54.0952 214.46 -82.7039 78.1125 30.5887 286.101 68.3606 38.5362 PRESSAVG: 2296600 4.47953 -65.3208 -16.1113 -65.3208 1.067 13.3196 -16.1112 13.3196 -0.455571 GPRESSAVG: 2296600 4.60119 -63.3587 -16.2843 -66.449 1.37352 11.3755 -18.0747 13.8253 -0.266473 TIMING: 2296600 CPU: 7331.31, 0.00316284/step Wall: 7331.31, 0.00316284/step, 2.37512 hours remaining, 240.609375 MB of memory in use. ENERGY: 2296600 4051.1189 20474.1096 14377.8255 275.3464 -203113.9602 2260.6137 0.0000 0.0000 52022.4872 -109652.4588 298.9739 -161674.9460 -109285.4623 299.4719 12.4849 35.3447 760871.0925 1.6970 1.9027 PRESSURE: 2296800 -318.348 -226.916 -117.321 -226.917 -61.1881 -50.7013 -117.321 -50.7018 -145.093 GPRESSURE: 2296800 -160.763 -102.115 -230.509 -272.29 -36.5845 -54.0405 -71.5119 -91.5552 -217.917 PRESSAVG: 2296800 -17.0551 -85.3079 -50.1721 -85.3079 16.0106 -46.5131 -50.1721 -46.5131 12.2209 GPRESSAVG: 2296800 -15.8903 -85.6278 -51.1714 -86.9694 15.1841 -44.4987 -48.0752 -47.6326 11.8607 TIMING: 2296800 CPU: 7331.95, 0.00316753/step Wall: 7331.95, 0.00316753/step, 2.37846 hours remaining, 240.609375 MB of memory in use. ENERGY: 2296800 3965.3194 20676.8155 14417.6893 241.4025 -203124.4053 2227.2092 0.0000 0.0000 52173.9228 -109422.0468 299.8443 -161595.9696 -109062.3392 299.3934 -174.8764 -138.4216 760781.1229 3.7255 3.7182 PRESSURE: 2297000 211.298 -67.7845 8.94433 -67.7838 35.422 -38.9877 8.94498 -38.9884 476.202 GPRESSURE: 2297000 238.565 22.5236 -71.9629 -148.347 130.325 -49.8171 9.393 -72.6326 441.658 PRESSAVG: 2297000 -23.5468 -50.1655 -33.36 -50.1655 -32.1434 -44.1357 -33.3599 -44.1356 -2.13351 GPRESSAVG: 2297000 -24.4048 -51.6982 -30.3817 -50.0166 -30.4552 -45.1843 -35.151 -43.5203 -2.72591 TIMING: 2297000 CPU: 7332.59, 0.00320056/step Wall: 7332.59, 0.00320056/step, 2.40309 hours remaining, 240.609375 MB of memory in use. ENERGY: 2297000 3999.3739 20589.4905 14353.3194 246.4026 -203439.1783 2874.1723 0.0000 0.0000 52178.7190 -109197.7005 299.8718 -161376.4195 -108836.3917 299.8441 240.9741 270.1824 761260.3603 -19.2746 -19.1953 PRESSURE: 2297200 -402.85 -178.509 134.368 -178.509 1.09346 137.604 134.369 137.604 342.368 GPRESSURE: 2297200 -317.796 -132.76 249.503 -90.3882 31.6027 140.658 162.482 116.225 338.668 PRESSAVG: 2297200 -4.92553 -23.3301 -26.9767 -23.3301 -8.28507 -24.424 -26.9767 -24.424 -1.00993 GPRESSAVG: 2297200 -5.3332 -23.8383 -28.1148 -21.7253 -9.67309 -23.6601 -26.1629 -25.1806 0.595029 TIMING: 2297200 CPU: 7333.22, 0.00317744/step Wall: 7333.22, 0.00317743/step, 2.38555 hours remaining, 240.609375 MB of memory in use. ENERGY: 2297200 4018.1671 20531.0514 14410.6449 239.0602 -202927.3350 2367.6671 0.0000 0.0000 52196.2639 -109164.4805 299.9726 -161360.7443 -108806.9229 299.8062 -19.7963 17.4913 760584.8758 -4.7402 -4.8038 PRESSURE: 2297400 243.969 21.733 -249.232 21.7323 80.2679 43.4818 -249.232 43.4813 -135.848 GPRESSURE: 2297400 349.567 5.78438 -224.372 96.8954 71.3579 94.2602 -299.328 -20.9726 -146.904 PRESSAVG: 2297400 -5.17313 -57.0273 -36.2151 -57.0274 4.71334 -6.77682 -36.215 -6.7768 -8.10077 GPRESSAVG: 2297400 -3.33674 -55.9884 -37.725 -58.0761 4.19832 -6.69377 -37.438 -5.49459 -9.78621 TIMING: 2297400 CPU: 7333.86, 0.00318049/step Wall: 7333.86, 0.00318049/step, 2.38766 hours remaining, 240.609375 MB of memory in use. ENERGY: 2297400 3998.1604 20559.5795 14402.8972 250.4503 -203319.8221 2498.5828 0.0000 0.0000 52347.4713 -109262.6805 300.8416 -161610.1518 -108899.3664 300.2712 62.7961 91.3405 760424.0700 -2.8535 -2.9749 PRESSURE: 2297600 -78.9413 -19.7728 -317.765 -19.7727 -320.673 -8.40591 -317.765 -8.40484 -52.8239 GPRESSURE: 2297600 -135.867 -88.4664 -243.701 -152.969 -256.917 -49.3208 -284.728 -139.396 18.5428 PRESSAVG: 2297600 83.5087 -19.8225 -11.5032 -19.8225 -43.9796 -28.3468 -11.5032 -28.3468 4.12848 GPRESSAVG: 2297600 81.7355 -18.384 -11.3722 -18.7115 -42.5517 -28.2196 -12.3319 -30.7859 4.63375 TIMING: 2297600 CPU: 7334.49, 0.00316562/step Wall: 7334.49, 0.00316562/step, 2.37633 hours remaining, 240.609375 MB of memory in use. ENERGY: 2297600 4022.2566 20597.4070 14398.5903 239.1977 -203129.2541 2603.3738 0.0000 0.0000 52046.5892 -109221.8395 299.1125 -161268.4287 -108868.0809 300.1923 -150.8127 -124.7470 762939.8431 14.5525 14.6058 PRESSURE: 2297800 117.074 -52.0661 42.909 -52.0654 -108.653 -20.963 42.9096 -20.9639 466.965 GPRESSURE: 2297800 110.531 -104.438 56.7895 -20.751 -16.5149 36.7275 -63.2899 2.3258 457.237 PRESSAVG: 2297800 -13.4072 -14.349 -19.6758 -14.349 15.5836 -18.594 -19.6758 -18.5939 18.4204 GPRESSAVG: 2297800 -12.8432 -16.425 -19.1458 -13.8437 14.4564 -19.9992 -18.0853 -16.5337 18.8965 TIMING: 2297800 CPU: 7335.13, 0.0031925/step Wall: 7335.13, 0.0031925/step, 2.39632 hours remaining, 240.609375 MB of memory in use. ENERGY: 2297800 3959.5266 20746.7902 14354.1656 235.3944 -203399.5990 2772.2071 0.0000 0.0000 52077.8086 -109253.7065 299.2919 -161331.5151 -108894.0789 300.0763 158.4620 183.7509 761348.7546 6.8656 6.8365 PRESSURE: 2298000 -534.406 36.9454 131.771 36.9452 80.9576 7.69554 131.772 7.69532 -137.291 GPRESSURE: 2298000 -369.346 -96.2966 148.845 39.7071 22.3811 -8.21445 314.516 77.4192 -172.392 PRESSAVG: 2298000 26.2046 -13.9679 -53.2551 -13.968 -18.7647 -34.5354 -53.2552 -34.5354 5.97316 GPRESSAVG: 2298000 27.0405 -12.5823 -53.4401 -15.3366 -17.6546 -33.21 -54.4647 -33.4538 4.33206 TIMING: 2298000 CPU: 7335.77, 0.00318682/step Wall: 7335.77, 0.00318682/step, 2.39189 hours remaining, 240.609375 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: 2298000 4044.4288 20570.5922 14363.2950 242.9176 -203095.3911 2253.9031 0.0000 0.0000 52149.1153 -109471.1391 299.7017 -161620.2545 -109111.6492 299.3182 -196.9131 -173.1191 762972.8371 4.4710 4.5727 PRESSURE: 2298200 -207.675 83.8105 63.2302 83.8101 -62.2233 163.826 63.2296 163.826 285.041 GPRESSURE: 2298200 -133.269 44.5356 -2.83709 137.312 0.488774 146.896 -37.7083 19.119 240.026 PRESSAVG: 2298200 -2.0986 -5.96768 19.4043 -5.96774 -4.74687 19.629 19.4044 19.6291 -3.67477 GPRESSAVG: 2298200 -2.89344 -6.13163 19.2434 -5.29658 -5.74698 17.5741 21.4777 18.6459 -1.5413 TIMING: 2298200 CPU: 7336.4, 0.0031695/step Wall: 7336.4, 0.0031695/step, 2.37871 hours remaining, 240.609375 MB of memory in use. ENERGY: 2298200 4082.2487 20428.0586 14365.1698 236.5715 -203588.2130 2822.0191 0.0000 0.0000 52131.3034 -109522.8420 299.5993 -161654.1454 -109165.1557 299.2695 5.0477 35.7485 763073.6867 -3.5067 -3.3939 PRESSURE: 2298400 -195.731 106.938 -85.0539 106.938 -16.0588 -145.571 -85.0533 -145.57 -440.859 GPRESSURE: 2298400 -192.312 -1.72003 -32.5598 147.683 -7.7716 -105.963 -145.303 -204.077 -367.691 PRESSAVG: 2298400 9.07761 -16.6232 -14.5555 -16.6233 54.2545 -70.1664 -14.5555 -70.1664 -10.7476 GPRESSAVG: 2298400 9.38886 -16.6906 -14.537 -18.0892 55.4063 -69.1324 -16.6708 -70.5725 -12.4007 TIMING: 2298400 CPU: 7337.03, 0.00315452/step Wall: 7337.03, 0.00315452/step, 2.36729 hours remaining, 240.609375 MB of memory in use. ENERGY: 2298400 3976.7128 20562.7037 14376.7637 253.2602 -203488.4197 2619.4495 0.0000 0.0000 52073.3335 -109626.1962 299.2662 -161699.5297 -109262.3375 299.4913 -217.5493 -189.2585 763998.0629 17.5281 17.4648 PRESSURE: 2298600 261.603 98.5754 -296.839 98.5759 429.938 57.29 -296.839 57.2904 55.7551 GPRESSURE: 2298600 235.798 -33.625 -257.238 115.034 518.664 133.177 -200.157 -35.3477 75.5645 PRESSAVG: 2298600 -36.3965 -72.7622 1.4989 -72.7623 36.9204 -15.9612 1.49892 -15.9611 25.8077 GPRESSAVG: 2298600 -36.6583 -72.2644 2.25623 -71.0047 36.5781 -13.9446 3.70104 -17.2106 26.1888 TIMING: 2298600 CPU: 7337.67, 0.00316697/step Wall: 7337.67, 0.00316697/step, 2.37646 hours remaining, 240.609375 MB of memory in use. ENERGY: 2298600 3916.1272 20550.9091 14284.1647 220.7240 -203662.6020 2851.0210 0.0000 0.0000 52224.2728 -109615.3832 300.1336 -161839.6560 -109247.3690 298.9566 249.0987 276.6755 762580.2145 8.7772 8.7029 PRESSURE: 2298800 -85.1564 -287.614 123.519 -287.614 317.456 -174.453 123.518 -174.453 225.655 GPRESSURE: 2298800 -3.57389 -220.14 52.4187 -281.732 400.095 -234.725 -7.93243 -104.813 154.608 PRESSAVG: 2298800 8.31233 -52.465 -7.43205 -52.465 -38.347 17.6694 -7.43211 17.6693 -9.67727 GPRESSAVG: 2298800 9.07264 -53.1863 -9.63073 -53.7073 -38.8986 16.084 -10.0126 17.9806 -9.51412 TIMING: 2298800 CPU: 7338.3, 0.00318449/step Wall: 7338.3, 0.00318449/step, 2.38943 hours remaining, 240.609375 MB of memory in use. ENERGY: 2298800 3932.7992 20395.4308 14378.4235 244.5066 -204240.6021 3289.3694 0.0000 0.0000 52319.3678 -109680.7048 300.6801 -162000.0726 -109304.4696 299.0603 152.6516 183.7099 763377.7983 -13.2373 -13.1134 PRESSURE: 2299000 332.966 -27.269 -46.7604 -27.2688 -227.05 84.5397 -46.7601 84.5402 339.509 GPRESSURE: 2299000 287.577 -68.0979 -73.911 104.887 -78.2266 22.5699 18.2941 74.4855 325.862 PRESSAVG: 2299000 -15.6156 -49.6746 31.5127 -49.6746 3.65796 1.17098 31.5126 1.17105 11.6732 GPRESSAVG: 2299000 -17.1725 -47.6431 33.484 -50.7752 5.5611 0.727306 31.8002 2.00946 11.5487 TIMING: 2299000 CPU: 7338.94, 0.00315911/step Wall: 7338.94, 0.00315911/step, 2.37021 hours remaining, 240.609375 MB of memory in use. ENERGY: 2299000 4013.8031 20523.0690 14368.2598 216.0197 -203807.7533 2852.7012 0.0000 0.0000 52269.9291 -109563.9715 300.3960 -161833.9005 -109207.5486 298.9340 148.4750 178.4045 763448.4195 -0.0948 -0.0209 PRESSURE: 2299200 -145.756 -54.0282 122.895 -54.0283 -176.094 -238.594 122.896 -238.594 304.653 GPRESSURE: 2299200 -162.713 -26.4229 125.368 -4.25869 -109.546 -203.056 161.816 -173.838 334.185 PRESSAVG: 2299200 -16.3081 -21.7507 36.0796 -21.7507 22.7093 43.5019 36.0796 43.5019 3.95803 GPRESSAVG: 2299200 -15.5003 -25.5818 37.6867 -18.7594 21.0991 43.4434 35.6156 43.9536 4.47135 TIMING: 2299200 CPU: 7339.57, 0.00315932/step Wall: 7339.57, 0.00315932/step, 2.3702 hours remaining, 240.609375 MB of memory in use. ENERGY: 2299200 3960.1773 20571.7974 14320.1627 241.1378 -203684.1650 2563.5752 0.0000 0.0000 52250.7925 -109776.5221 300.2860 -162027.3146 -109419.0673 298.8762 -5.7322 20.6418 760690.5250 3.4531 3.3567 PRESSURE: 2299400 13.274 -213.359 -36.0846 -213.358 -328.545 -101.301 -36.0847 -101.3 -431.077 GPRESSURE: 2299400 -46.3712 -217.055 40.5089 -137.911 -217.565 -135.215 -63.2863 -57.8094 -376.221 PRESSAVG: 2299400 24.9145 -84.0353 8.35957 -84.0353 -29.0468 -5.05839 8.35952 -5.05845 -1.19422 GPRESSAVG: 2299400 24.7869 -84.2105 6.24601 -82.4746 -28.5415 -5.19093 9.52103 -2.67637 -1.57469 TIMING: 2299400 CPU: 7340.2, 0.0031682/step Wall: 7340.2, 0.0031682/step, 2.37668 hours remaining, 240.609375 MB of memory in use. ENERGY: 2299400 3980.2808 20569.3872 14375.5583 240.9601 -203141.4382 2386.2110 0.0000 0.0000 52097.1764 -109491.8645 299.4032 -161589.0410 -109130.5885 298.8639 -248.7828 -213.3856 762779.7822 -1.7755 -1.7764 PRESSURE: 2299600 -59.6009 -121.726 -61.5693 -121.725 -49.8782 82.4784 -61.5695 82.4801 -100.276 GPRESSURE: 2299600 -34.4935 -134.686 -6.26594 -83.6098 -1.81925 63.3427 -57.3773 26.7649 -84.1186 PRESSAVG: 2299600 58.4097 -46.2401 24.0644 -46.2401 -92.5438 24.0439 24.0645 24.0439 -15.8512 GPRESSAVG: 2299600 59.3232 -43.8084 24.3134 -49.7246 -94.0292 25.6654 24.2842 21.49 -15.2192 TIMING: 2299600 CPU: 7340.84, 0.00320478/step Wall: 7340.84, 0.00320477/step, 2.40394 hours remaining, 240.609375 MB of memory in use. ENERGY: 2299600 3979.6579 20433.1920 14332.9537 258.9152 -203161.8671 2492.0200 0.0000 0.0000 52235.2627 -109429.8656 300.1968 -161665.1283 -109060.2490 299.0697 -69.9183 -40.1438 762877.6006 -16.6618 -16.6418 PRESSURE: 2299800 100.382 199.52 102.702 199.52 -15.5991 -127.598 102.702 -127.597 334.885 GPRESSURE: 2299800 131.274 140.18 107.176 200.042 48.3436 -38.2845 77.3842 -127.187 324.381 PRESSAVG: 2299800 23.8705 -37.3171 -38.7394 -37.3171 -22.1305 -3.05694 -38.7393 -3.05699 30.1182 GPRESSAVG: 2299800 23.9623 -39.5282 -37.5316 -36.1228 -21.7706 -4.3522 -40.5415 -2.5006 29.4951 TIMING: 2299800 CPU: 7341.48, 0.00317514/step Wall: 7341.48, 0.00317514/step, 2.38153 hours remaining, 240.609375 MB of memory in use. ENERGY: 2299800 3897.4660 20571.1704 14404.0383 234.4250 -203479.1801 2894.1753 0.0000 0.0000 52179.6831 -109298.2221 299.8774 -161477.9052 -108936.4616 299.2956 139.8895 167.9997 762394.3345 10.6194 10.5623 WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2300000 -12.645 98.6731 26.1538 98.6727 308.259 113.875 26.1537 113.875 40.749 GPRESSURE: 2300000 14.0545 1.7932 40.7052 62.1867 356.686 25.8081 -4.15036 104.33 55.9769 PRESSAVG: 2300000 14.2161 9.90644 -68.3795 9.90646 -69.201 35.5445 -68.3795 35.5446 -27.1061 GPRESSAVG: 2300000 13.7808 11.128 -69.898 8.29659 -68.8812 37.6172 -65.8802 32.5412 -26.4433 TIMING: 2300000 CPU: 7342.14, 0.00329875/step Wall: 7342.14, 0.00329875/step, 2.47406 hours remaining, 240.734375 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: 2300000 3987.3667 20602.6895 14403.9970 257.3163 -202900.8106 2595.0906 0.0000 0.0000 51849.5581 -109204.7924 297.9801 -161054.3505 -108847.2441 299.6345 112.1210 142.2390 762311.5342 -27.3636 -27.1812 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 PRESSURE: 2300200 -224.909 -134.319 43.5406 -134.319 175.156 -211.885 43.5396 -211.886 -186.838 GPRESSURE: 2300200 -219.029 -195.171 -35.7277 -133.51 160.963 -167.315 16.6756 -282.171 -85.6033 PRESSAVG: 2300200 26.035 -22.5828 -46.0557 -22.5827 -53.1312 -0.0906672 -46.0556 -0.090694 12.8578 GPRESSAVG: 2300200 26.0888 -22.4897 -45.9376 -21.2115 -53.1477 -2.70674 -45.9821 3.11185 13.0859 TIMING: 2300200 CPU: 7342.78, 0.00322315/step Wall: 7342.78, 0.00322315/step, 2.41719 hours remaining, 240.734375 MB of memory in use. ENERGY: 2300200 3939.7784 20419.1016 14495.7823 228.3307 -202927.4755 2379.3260 0.0000 0.0000 52241.8891 -109223.2675 300.2349 -161465.1566 -108850.0484 299.8290 -78.8635 -47.8897 762092.6520 -4.7462 -4.6577 LDB: ============= START OF LOAD BALANCING ============== 7355.24 LDB: ============== END OF LOAD BALANCING =============== 7355.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7355.24 LDB: ============= START OF LOAD BALANCING ============== 7355.56 LDB: Largest compute 7027 load 0.033847 is 17.3% of average load 0.195230 LDB: Average compute 0.004389 is 2.2% of average load 0.195230 LDB: TIME 7355.57 LOAD: AVG 0.19523 MAX 0.213809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 7355.57 LOAD: AVG 0.19523 MAX 0.213809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: TIME 7355.57 LOAD: AVG 0.19523 MAX 0.213809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: ============== END OF LOAD BALANCING =============== 7355.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7355.57 PRESSURE: 2300400 -251.114 104.431 192.58 104.431 -108.107 -109.968 192.581 -109.968 -151.287 GPRESSURE: 2300400 -149.227 220.85 210.645 90.8286 -113.559 -116.659 217.733 -1.15389 -176.229 PRESSAVG: 2300400 15.2052 -11.5051 -21.4039 -11.5051 -8.85754 -29.8957 -21.4039 -29.8958 5.92021 GPRESSAVG: 2300400 15.2759 -12.0051 -19.735 -11.3153 -8.81423 -29.858 -21.905 -30.6005 5.91464 TIMING: 2300400 CPU: 7343.44, 0.00328531/step Wall: 7343.44, 0.00328531/step, 2.46362 hours remaining, 240.605469 MB of memory in use. ENERGY: 2300400 4001.7250 20513.5353 14444.5230 232.2120 -203155.7564 2324.6660 0.0000 0.0000 52528.9037 -109110.1914 301.8843 -161639.0951 -108749.6027 299.7708 -170.1693 -146.3387 763258.0236 4.0893 4.1254 PRESSURE: 2300600 -1.17601 -148.969 67.5661 -148.969 214.161 117.67 67.566 117.669 219.997 GPRESSURE: 2300600 88.6836 -137.219 46.4048 -68.0532 211.133 139.082 59.2066 198.445 218.932 PRESSAVG: 2300600 9.57028 31.0695 -46.5451 31.0696 -41.0385 7.34395 -46.545 7.34398 -8.39763 GPRESSAVG: 2300600 9.68851 31.3112 -47.5778 32.0169 -41.3494 7.93632 -47.9764 7.69946 -8.11774 TIMING: 2300600 CPU: 7344.08, 0.00319001/step Wall: 7344.08, 0.00319001/step, 2.39198 hours remaining, 240.808594 MB of memory in use. ENERGY: 2300600 3901.4453 20637.4351 14432.8282 246.3864 -203285.4423 2742.1804 0.0000 0.0000 52454.8290 -108870.3380 301.4586 -161325.1670 -108511.4824 300.3333 144.3275 172.9163 761658.5871 -13.2886 -13.2595 PRESSURE: 2300800 14.7001 -46.038 -50.4631 -46.0383 -8.93995 95.6454 -50.4627 95.6456 -142.371 GPRESSURE: 2300800 106.56 78.5529 -74.5364 27.8137 -15.667 77.3979 -20.5964 100.632 -149.47 PRESSAVG: 2300800 43.9137 -55.5673 -10.4333 -55.5673 -48.3862 11.1004 -10.4334 11.1003 -16.4326 GPRESSAVG: 2300800 44.2081 -55.2621 -8.50291 -56.5634 -49.3232 13.0949 -10.3115 10.934 -16.0561 TIMING: 2300800 CPU: 7344.71, 0.00318547/step Wall: 7344.71, 0.00318546/step, 2.38839 hours remaining, 240.808594 MB of memory in use. ENERGY: 2300800 3987.5065 20346.9503 14433.4612 237.9661 -203044.2660 2510.3406 0.0000 0.0000 52226.1313 -109301.9100 300.1443 -161528.0413 -108938.3584 300.0872 -45.5370 -19.5255 762812.5762 -6.9683 -7.0571 PRESSURE: 2301000 -148.624 -34.0737 -191.098 -34.0735 -450.554 45.1083 -191.098 45.1088 71.5544 GPRESSURE: 2301000 -149.536 -101.077 -141.34 -86.2309 -358.386 24.3869 -155.611 96.0064 70.744 PRESSAVG: 2301000 56.3934 -7.57874 -29.0342 -7.57876 -71.4422 56.2618 -29.0342 56.2618 -4.88056 GPRESSAVG: 2301000 56.3023 -9.75355 -30.7217 -6.47799 -71.0457 54.9856 -27.8401 56.6463 -4.83259 TIMING: 2301000 CPU: 7345.35, 0.00318286/step Wall: 7345.35, 0.00318286/step, 2.38626 hours remaining, 240.808594 MB of memory in use. ENERGY: 2301000 3954.9387 20550.4509 14491.3485 253.6261 -202802.8153 2239.8448 0.0000 0.0000 51903.0248 -109409.5816 298.2874 -161312.6064 -109044.7434 299.6123 -175.8744 -145.7260 762057.3362 -6.6431 -6.5253 PRESSURE: 2301200 143.857 48.6716 -25.5789 48.6717 -67.0863 50.574 -25.5785 50.575 -81.0905 GPRESSURE: 2301200 76.2612 -3.19895 -17.7364 54.2175 51.7749 74.1209 4.93614 -90.0852 -53.6381 PRESSAVG: 2301200 31.1409 14.6412 10.0123 14.6412 -22.9676 40.0178 10.0123 40.0179 24.8584 GPRESSAVG: 2301200 30.3198 18.4876 9.28314 11.1672 -21.9723 42.2804 10.1486 38.3253 24.6102 TIMING: 2301200 CPU: 7345.99, 0.00320397/step Wall: 7345.99, 0.00320397/step, 2.40191 hours remaining, 240.808594 MB of memory in use. ENERGY: 2301200 3968.7075 20483.9932 14435.8134 240.0539 -203000.3335 2377.9958 0.0000 0.0000 52098.3069 -109395.4627 299.4097 -161493.7696 -109027.3763 299.7212 -1.4398 24.7993 761431.0161 11.0105 10.9859 PRESSURE: 2301400 -226.261 -36.3347 -11.298 -36.3341 6.60605 -36.5853 -11.2983 -36.5857 67.8959 GPRESSURE: 2301400 -167.948 107.791 60.0179 -11.1101 -19.8115 -42.1478 -24.2001 -7.1517 91.7758 PRESSAVG: 2301400 64.7216 -54.7284 -35.4854 -54.7284 -43.4149 -27.2748 -35.4853 -27.2747 3.42404 GPRESSAVG: 2301400 66.0543 -57.0974 -34.5978 -49.8938 -45.0236 -30.3014 -37.4125 -25.0984 3.64544 TIMING: 2301400 CPU: 7346.63, 0.00318116/step Wall: 7346.63, 0.00318116/step, 2.38463 hours remaining, 240.808594 MB of memory in use. ENERGY: 2301400 4029.9912 20726.9159 14385.1359 234.3538 -203052.6947 2600.7159 0.0000 0.0000 51791.1526 -109284.4293 297.6445 -161075.5819 -108923.9847 299.7180 -50.5864 -31.9947 764384.5894 8.2436 8.2254 PRESSURE: 2301600 -129.903 -98.4407 -94.07 -98.4408 341.087 -237.47 -94.0696 -237.471 164.727 GPRESSURE: 2301600 40.6749 -133.924 -72.6701 -160.239 247.15 -273.372 -3.83006 -302.712 166.672 PRESSAVG: 2301600 106.067 -38.3722 2.45352 -38.3722 -94.4992 -59.0459 2.45352 -59.0459 15.8495 GPRESSAVG: 2301600 105.171 -37.8111 1.00833 -41.2118 -93.4102 -57.465 4.3019 -58.6719 15.3388 TIMING: 2301600 CPU: 7347.27, 0.00319723/step Wall: 7347.27, 0.00319723/step, 2.39651 hours remaining, 240.808594 MB of memory in use. ENERGY: 2301600 4040.3672 20506.4781 14432.0932 247.2756 -203563.9736 2627.2699 0.0000 0.0000 52578.9838 -109131.5057 302.1721 -161710.4895 -108756.8622 300.1622 125.3038 151.4990 760666.6069 9.1390 9.0332 PRESSURE: 2301800 -264.792 81.8557 157.784 81.855 -91.3897 -42.1637 157.783 -42.1638 -88.0302 GPRESSURE: 2301800 -227.809 40.8144 130.579 76.0268 -66.8877 22.91 160.096 -50.1505 -60.7117 PRESSAVG: 2301800 43.4834 -79.0521 28.2453 -79.0521 -12.0809 24.5688 28.2453 24.5687 9.11979 GPRESSAVG: 2301800 44.4887 -81.4774 29.419 -77.3149 -13.9798 24.9016 26.7418 23.0895 9.80257 TIMING: 2301800 CPU: 7347.9, 0.00318684/step Wall: 7347.9, 0.00318684/step, 2.38853 hours remaining, 240.808594 MB of memory in use. ENERGY: 2301800 3990.8907 20523.0643 14305.7840 246.5536 -202805.2106 2224.7638 0.0000 0.0000 52309.2815 -109204.8727 300.6222 -161514.1542 -108833.0601 299.9519 -148.0708 -118.4695 761514.0284 13.5074 13.4371 PRESSURE: 2302000 -90.4952 -222.419 -59.4492 -222.419 117.56 -112.77 -59.45 -112.772 -199.649 GPRESSURE: 2302000 -96.5869 -253.395 -151.376 -277.066 210.947 -97.9861 -6.27892 -123.702 -165.027 PRESSAVG: 2302000 57.0465 -52.8649 41.1518 -52.8649 -14.9726 -22.3602 41.1518 -22.3603 -7.47385 GPRESSAVG: 2302000 55.9907 -50.2326 38.3966 -55.5469 -13.0489 -23.7672 42.97 -23.1933 -8.25114 TIMING: 2302000 CPU: 7348.54, 0.00319071/step Wall: 7348.54, 0.0031907/step, 2.39126 hours remaining, 240.808594 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: 2302000 3999.7150 20585.4990 14428.8305 238.6330 -203132.2872 2479.8489 0.0000 0.0000 52142.1227 -109257.6381 299.6615 -161399.7607 -108901.2025 299.8527 -57.5282 -16.8890 760266.3110 11.5334 11.5635 PRESSURE: 2302200 11.5137 1.32915 -97.9614 1.3285 83.4555 82.6203 -97.9616 82.6199 -393.052 GPRESSURE: 2302200 36.3757 -56.8958 -145.081 23.6586 60.8019 54.8517 -69.3856 65.8361 -299.638 PRESSAVG: 2302200 -24.3287 -36.7627 -5.8634 -36.7627 33.1833 -49.6985 -5.86343 -49.6986 4.53653 GPRESSAVG: 2302200 -23.5136 -38.2651 -5.25247 -36.232 32.287 -48.1182 -9.03008 -48.6169 5.24384 TIMING: 2302200 CPU: 7349.18, 0.00318212/step Wall: 7349.18, 0.00318212/step, 2.38464 hours remaining, 240.808594 MB of memory in use. ENERGY: 2302200 3961.3019 20596.1358 14354.3835 238.0661 -203183.9983 2495.0642 0.0000 0.0000 52099.1755 -109439.8713 299.4147 -161539.0468 -109081.4479 299.7309 -99.3609 -67.4869 761330.8608 4.4637 4.6724 PRESSURE: 2302400 -229.738 -47.1864 -48.1783 -47.185 -29.5803 365.367 -48.1781 365.367 -141.029 GPRESSURE: 2302400 -218.256 -14.3743 3.93386 -86.3627 43.2442 230.204 -67.745 347.429 -141.814 PRESSAVG: 2302400 -5.39609 19.7966 5.97276 19.7966 62.429 -7.77822 5.97282 -7.77819 -26.0859 GPRESSAVG: 2302400 -4.43408 20.8225 7.06041 21.1135 62.4106 -7.76392 7.40674 -9.82576 -27.219 TIMING: 2302400 CPU: 7349.82, 0.00318729/step Wall: 7349.82, 0.00318729/step, 2.38834 hours remaining, 240.808594 MB of memory in use. ENERGY: 2302400 3988.0996 20518.0758 14370.5635 250.0146 -203312.6490 2215.5559 0.0000 0.0000 52334.9728 -109635.3667 300.7698 -161970.3396 -109265.0495 299.2941 -133.4488 -105.6087 759480.3206 10.3157 10.2525 PRESSURE: 2302600 -134.825 238.706 -11.5967 238.705 -287.683 -95.9683 -11.5972 -95.9679 -397.589 GPRESSURE: 2302600 -104.985 158.363 37.3277 28.0367 -229.95 -71.9465 -118.483 -51.7127 -368.207 PRESSAVG: 2302600 -11.1444 -13.2523 23.1973 -13.2523 37.7039 -79.8302 23.1974 -79.8303 -31.2487 GPRESSAVG: 2302600 -11.6649 -12.4983 24.2413 -15.6035 38.4971 -81.0183 23.919 -78.9229 -30.7535 TIMING: 2302600 CPU: 7350.45, 0.00318378/step Wall: 7350.45, 0.00318378/step, 2.38554 hours remaining, 240.808594 MB of memory in use. ENERGY: 2302600 3976.8876 20377.7368 14266.0203 241.2941 -203381.0066 2580.6719 0.0000 0.0000 52252.4493 -109685.9466 300.2955 -161938.3959 -109321.2114 298.9623 -273.3656 -234.3806 761881.7214 -1.5631 -1.3071 PRESSURE: 2302800 204.377 42.293 -98.3774 42.2929 39.926 -19.8618 -98.3772 -19.8624 257.574 GPRESSURE: 2302800 217.976 -18.0108 -19.6331 24.8935 59.7844 -55.4468 -67.0367 80.003 309.955 PRESSAVG: 2302800 77.1505 -2.51651 18.512 -2.51649 -83.2931 -37.4356 18.512 -37.4357 13.2164 GPRESSAVG: 2302800 76.4305 -1.4704 18.2051 -2.32233 -83.0691 -37.1484 18.2712 -35.2684 13.0298 TIMING: 2302800 CPU: 7351.1, 0.00322315/step Wall: 7351.1, 0.00322315/step, 2.41485 hours remaining, 240.808594 MB of memory in use. ENERGY: 2302800 4021.0513 20467.5566 14393.8979 258.6631 -203263.4391 2462.4942 0.0000 0.0000 52039.1574 -109620.6186 299.0698 -161659.7760 -109262.2039 298.6854 167.2925 195.9052 759412.6385 2.3579 2.1304 PRESSURE: 2303000 -194.49 -123.396 -120.304 -123.397 145.012 75.8927 -120.305 75.8924 100.338 GPRESSURE: 2303000 -199.109 -172.376 -53.9473 -173.409 176.609 -11.3252 -137.618 60.4999 151.701 PRESSAVG: 2303000 16.2971 -124.602 -48.4037 -124.602 -23.1792 -19.1592 -48.4037 -19.1592 -11.1344 GPRESSAVG: 2303000 17.7001 -125.981 -48.5841 -123.499 -24.8709 -18.1208 -47.3191 -20.2041 -10.9127 TIMING: 2303000 CPU: 7351.74, 0.00320734/step Wall: 7351.74, 0.00320734/step, 2.40283 hours remaining, 240.808594 MB of memory in use. ENERGY: 2303000 3856.0080 20497.3670 14394.3435 249.6083 -203132.7851 2429.2378 0.0000 0.0000 51960.8995 -109745.3209 298.6200 -161706.2205 -109375.5665 298.8200 16.9534 43.0668 760472.0333 -6.0055 -6.0279 PRESSURE: 2303200 264.955 -163.395 -270.917 -163.396 71.5726 -98.7572 -270.917 -98.7566 -455.226 GPRESSURE: 2303200 257.855 -206.653 -308.825 -216.282 102.834 -84.1497 -169.686 -145.163 -395.081 PRESSAVG: 2303200 22.841 -82.029 -59.7944 -82.029 30.5805 -0.561861 -59.7944 -0.561862 11.0082 GPRESSAVG: 2303200 22.7141 -81.6056 -61.1266 -82.8311 32.1617 -1.17007 -59.0313 -1.36138 9.97594 TIMING: 2303200 CPU: 7352.38, 0.0031896/step Wall: 7352.38, 0.0031896/step, 2.38936 hours remaining, 240.808594 MB of memory in use. ENERGY: 2303200 4007.3818 20524.4212 14393.5521 249.6429 -203667.1948 2903.4614 0.0000 0.0000 51895.6700 -109693.0655 298.2451 -161588.7355 -109338.7149 299.1442 -39.5661 -11.4639 759828.9614 21.4766 21.6172 PRESSURE: 2303400 -201.01 -292.754 -21.2916 -292.754 -85.6807 40.129 -21.2924 40.1298 -249.761 GPRESSURE: 2303400 -100.345 -243.203 -9.11959 -186.463 -145.225 68.8936 -27.9044 32.6643 -228.786 PRESSAVG: 2303400 46.2522 -93.7219 -24.3808 -93.7219 -36.2713 14.4274 -24.3807 14.4275 -28.1436 GPRESSAVG: 2303400 45.4977 -93.7824 -23.7476 -94.1482 -37.0296 14.5431 -24.9773 13.031 -26.6679 TIMING: 2303400 CPU: 7353.01, 0.00316907/step Wall: 7353.01, 0.00316907/step, 2.37381 hours remaining, 240.808594 MB of memory in use. ENERGY: 2303400 4009.3833 20536.6296 14430.5240 231.8996 -203105.0734 2325.7638 0.0000 0.0000 51953.5440 -109617.3292 298.5777 -161570.8732 -109254.3786 298.9316 -178.8173 -158.1186 760751.7035 -6.0542 -6.0666 PRESSURE: 2303600 -584.881 40.1761 158.453 40.1772 110.041 187.177 158.453 187.177 -126.236 GPRESSURE: 2303600 -452.358 -3.27161 171.508 112.242 91.1509 126.592 66.2046 207.73 -149.178 PRESSAVG: 2303600 75.146 -51.4302 -27.7434 -51.4303 -66.7053 17.391 -27.7433 17.3911 -9.49031 GPRESSAVG: 2303600 76.9479 -53.1007 -26.5976 -49.3718 -67.3298 16.7386 -27.7837 19.0683 -10.331 TIMING: 2303600 CPU: 7353.64, 0.00315919/step Wall: 7353.64, 0.00315919/step, 2.36623 hours remaining, 240.808594 MB of memory in use. ENERGY: 2303600 3998.9090 20477.9817 14415.4954 263.4633 -203273.3386 2404.9760 0.0000 0.0000 52147.4889 -109565.0242 299.6923 -161712.5131 -109198.3424 299.1406 -200.3583 -170.1284 761262.8431 -0.3499 -0.2376 PRESSURE: 2303800 -176.87 -71.0503 296.454 -71.0508 -9.43423 34.6484 296.455 34.6496 -479.493 GPRESSURE: 2303800 -113.954 -0.767234 445.285 -50.1639 -66.7773 2.55241 233.51 119.399 -398.767 PRESSAVG: 2303800 -16.9173 -73.0038 -43.7084 -73.0037 33.5767 2.45031 -43.7084 2.45032 -16.5925 GPRESSAVG: 2303800 -16.7492 -71.8273 -44.4194 -73.0173 33.5136 2.97563 -43.9279 0.555957 -16.7925 TIMING: 2303800 CPU: 7354.28, 0.00316491/step Wall: 7354.28, 0.00316491/step, 2.37034 hours remaining, 240.808594 MB of memory in use. ENERGY: 2303800 4064.2506 20475.1918 14350.9083 262.1345 -203767.8744 2759.0991 0.0000 0.0000 52242.3240 -109613.9661 300.2374 -161856.2901 -109252.1221 299.0562 -221.9325 -193.1663 760017.9562 0.0223 -0.0094 PRESSURE: 2304000 328.274 -77.6253 10.8258 -77.6241 272.02 77.3875 10.8261 77.3886 185.635 GPRESSURE: 2304000 354.686 -21.6207 15.9194 -54.9641 356.548 51.7621 62.1135 99.0895 147.693 PRESSAVG: 2304000 -36.1993 -59.7316 -34.5236 -59.7315 44.6041 53.7582 -34.5236 53.7583 6.61271 GPRESSAVG: 2304000 -38.0902 -59.9135 -33.8861 -61.2116 45.4489 54.3027 -36.6937 55.3335 7.73169 TIMING: 2304000 CPU: 7354.91, 0.00318428/step Wall: 7354.91, 0.00318428/step, 2.38467 hours remaining, 240.808594 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: 2304000 3944.4730 20683.3596 14491.4146 261.1052 -203471.7115 2803.3180 0.0000 0.0000 51838.4786 -109449.5625 297.9164 -161288.0411 -109102.5542 299.3275 261.9764 286.3089 759869.1820 5.0058 5.0302 PRESSURE: 2304200 -283.338 -26.4054 139.773 -26.4053 -11.1909 -13.7907 139.774 -13.7921 -54.8496 GPRESSURE: 2304200 -249.443 79.6729 198.57 70.9249 -56.5371 -23.246 28.0145 -9.53578 41.5142 PRESSAVG: 2304200 6.9663 -20.0106 24.4162 -20.0105 1.1387 56.2991 24.4163 56.2991 26.4159 GPRESSAVG: 2304200 7.85701 -20.2062 23.679 -20.8033 1.20103 55.4886 26.985 57.2375 25.9405 TIMING: 2304200 CPU: 7355.54, 0.00313474/step Wall: 7355.54, 0.00313474/step, 2.3474 hours remaining, 240.808594 MB of memory in use. ENERGY: 2304200 4025.9203 20528.0796 14377.5713 240.0522 -203371.4577 2326.9126 0.0000 0.0000 52170.1576 -109702.7641 299.8226 -161872.9216 -109333.9310 299.6119 -116.4595 -88.1552 760989.3547 11.5070 11.6662 LDB: ============= START OF LOAD BALANCING ============== 7367.99 LDB: ============== END OF LOAD BALANCING =============== 7367.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7367.99 LDB: ============= START OF LOAD BALANCING ============== 7368.3 LDB: Largest compute 7076 load 0.034233 is 17.5% of average load 0.195241 LDB: Average compute 0.004381 is 2.2% of average load 0.195241 LDB: TIME 7368.31 LOAD: AVG 0.195241 MAX 0.213671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 7368.31 LOAD: AVG 0.195241 MAX 0.213671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: TIME 7368.31 LOAD: AVG 0.195241 MAX 0.213671 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: ============== END OF LOAD BALANCING =============== 7368.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.31 PRESSURE: 2304400 2.89279 -151.886 134.908 -151.886 199.469 142.846 134.908 142.844 -108.064 GPRESSURE: 2304400 23.5768 -111.869 80.6827 -87.328 276.545 148.814 100.431 176.937 -114.471 PRESSAVG: 2304400 4.28966 -81.4365 30.1602 -81.4365 -17.1624 117.223 30.1602 117.223 -7.40253 GPRESSAVG: 2304400 4.91064 -82.1545 28.4743 -79.0489 -16.6358 117.592 30.4398 115.676 -8.05546 TIMING: 2304400 CPU: 7356.18, 0.00319975/step Wall: 7356.18, 0.00319975/step, 2.3959 hours remaining, 241.628906 MB of memory in use. ENERGY: 2304400 4015.2311 20355.0007 14396.2196 255.1525 -203562.6238 2751.8670 0.0000 0.0000 52020.4502 -109768.7028 298.9622 -161789.1530 -109400.6662 298.7827 31.4327 61.8837 760734.2142 -6.7584 -6.5935 PRESSURE: 2304600 194.314 -148.203 -254.833 -148.203 -55.036 -34.6971 -254.833 -34.6969 224.024 GPRESSURE: 2304600 244.888 -63.6804 -221.429 -67.9196 22.6609 -30.6972 -206.362 -111.533 177.696 PRESSAVG: 2304600 9.44234 -58.4497 14.5752 -58.4497 -11.4157 48.7091 14.5752 48.709 -18.3088 GPRESSAVG: 2304600 9.6654 -56.9502 16.312 -58.2363 -11.8442 49.8491 14.0283 49.1665 -17.9679 TIMING: 2304600 CPU: 7356.81, 0.00314693/step Wall: 7356.81, 0.00314693/step, 2.35618 hours remaining, 241.832031 MB of memory in use. ENERGY: 2304600 3952.1890 20556.8196 14442.6516 244.3097 -203590.2208 2526.9330 0.0000 0.0000 51978.8331 -109888.4849 298.7231 -161867.3181 -109522.4900 298.8564 121.1007 148.4150 759859.4978 -6.7607 -6.7156 PRESSURE: 2304800 -351.685 -88.5503 -156.051 -88.5505 -269.302 168.232 -156.051 168.233 -128.326 GPRESSURE: 2304800 -322.425 -87.6313 -232.084 -83.9114 -249.504 169.762 -170.775 136.841 -82.119 PRESSAVG: 2304800 -32.7984 -26.3492 -14.5338 -26.3492 15.1236 59.6937 -14.5338 59.6937 -31.8693 GPRESSAVG: 2304800 -34.0544 -26.2591 -13.9538 -28.4607 14.9482 57.4456 -14.7793 61.0742 -30.5671 TIMING: 2304800 CPU: 7357.44, 0.00316825/step Wall: 7357.44, 0.00316825/step, 2.37197 hours remaining, 241.832031 MB of memory in use. ENERGY: 2304800 4000.2885 20455.9800 14459.5344 248.6951 -203465.1674 2538.2987 0.0000 0.0000 51881.5815 -109880.7891 298.1642 -161762.3707 -109521.6745 298.2372 -249.7709 -218.0160 759936.1241 -16.5147 -16.5577 PRESSURE: 2305000 -113.277 -290.869 -26.9238 -290.869 120.403 65.0632 -26.924 65.0641 186.069 GPRESSURE: 2305000 -28.4894 -250.068 -129.137 -196.456 150.825 26.7302 43.327 -71.0831 159.662 PRESSAVG: 2305000 -12.0572 -49.1582 0.602687 -49.1582 15.1521 11.9749 0.602683 11.9749 22.7274 GPRESSAVG: 2305000 -10.9473 -49.5125 0.74042 -48.0636 16.1527 12.4332 -1.67302 10.2849 20.6199 TIMING: 2305000 CPU: 7358.08, 0.00319151/step Wall: 7358.08, 0.00319151/step, 2.3892 hours remaining, 241.832031 MB of memory in use. ENERGY: 2305000 3899.2458 20455.8462 14515.7054 255.8475 -203500.4472 2560.6522 0.0000 0.0000 51918.1883 -109894.9617 298.3745 -161813.1500 -109529.5304 298.4300 64.3984 93.9993 761063.1553 8.6074 8.6084 PRESSURE: 2305200 174.188 -242.988 68.5106 -242.988 36.8891 -23.7967 68.5108 -23.7972 -361.23 GPRESSURE: 2305200 149.909 -180.344 60.2332 -350.946 81.0628 -55.0821 -0.0439538 -42.3344 -284.343 PRESSAVG: 2305200 4.93079 -60.0199 -34.0423 -60.0198 1.60192 16.1083 -34.0423 16.1083 5.02788 GPRESSAVG: 2305200 5.36922 -60.0634 -34.1135 -61.649 -0.0509894 17.2069 -31.6701 15.1991 6.07232 TIMING: 2305200 CPU: 7358.71, 0.00315629/step Wall: 7358.71, 0.00315629/step, 2.36266 hours remaining, 241.832031 MB of memory in use. ENERGY: 2305200 3959.7684 20421.8909 14471.2033 232.2867 -203077.7919 2429.2615 0.0000 0.0000 51836.2113 -109727.1699 297.9034 -161563.3812 -109357.8474 298.6358 -50.0512 -17.7905 762383.7246 3.8535 3.7968 PRESSURE: 2305400 23.9293 -56.0389 121.121 -56.0385 156.898 -59.3426 121.12 -59.3426 -548.819 GPRESSURE: 2305400 25.569 -120.095 84.5087 -8.55383 188.033 -153.537 171.112 37.3828 -493.844 PRESSAVG: 2305400 -41.4868 -39.5146 32.33 -39.5147 56.0614 19.3036 32.33 19.3036 -0.570726 GPRESSAVG: 2305400 -43.1479 -40.5486 32.3204 -38.5367 57.1422 19.072 33.222 19.5759 -0.0197682 TIMING: 2305400 CPU: 7359.34, 0.00313761/step Wall: 7359.34, 0.00313761/step, 2.3485 hours remaining, 241.832031 MB of memory in use. ENERGY: 2305400 4037.0239 20446.9860 14479.4092 243.4923 -203742.9216 2846.4234 0.0000 0.0000 51983.8849 -109705.7020 298.7521 -161689.5869 -109346.8158 298.3604 -122.6638 -93.4139 761156.6663 4.6680 4.6582 PRESSURE: 2305600 -159.526 139.24 212.757 139.241 -513.377 8.1321 212.757 8.1317 -408.145 GPRESSURE: 2305600 -192.967 76.8691 169.48 194.498 -445.714 69.9947 66.358 -2.97152 -372.464 PRESSAVG: 2305600 24.1375 -76.5071 59.4234 -76.5071 -68.0961 -14.9413 59.4234 -14.9414 -16.8993 GPRESSAVG: 2305600 25.0009 -76.3254 56.8835 -76.3028 -68.7815 -16.0368 57.9751 -15.8554 -17.8516 TIMING: 2305600 CPU: 7359.97, 0.00316511/step Wall: 7359.97, 0.00316511/step, 2.36891 hours remaining, 241.832031 MB of memory in use. ENERGY: 2305600 3986.8531 20463.4705 14416.4020 260.6980 -203190.7690 2518.1053 0.0000 0.0000 51924.6471 -109620.5929 298.4117 -161545.2400 -109255.8659 298.9975 -360.3493 -337.0481 762993.5267 -20.2859 -20.5441 PRESSURE: 2305800 -121.71 -223.559 -32.0397 -223.56 -237.562 -227.679 -32.0389 -227.679 141.7 GPRESSURE: 2305800 -33.7199 -202.94 -57.2871 -230.954 -189.435 -136.295 62.5206 -227.58 101.542 PRESSAVG: 2305800 -15.124 -81.4665 39.3174 -81.4665 34.595 12.99 39.3174 12.9902 24.542 GPRESSAVG: 2305800 -15.2762 -82.1069 39.511 -81.1925 35.1706 14.7629 40.9269 14.0665 23.8835 TIMING: 2305800 CPU: 7360.61, 0.00317648/step Wall: 7360.61, 0.00317648/step, 2.37724 hours remaining, 241.832031 MB of memory in use. ENERGY: 2305800 4016.5803 20518.8888 14403.7896 235.8920 -203430.4706 2768.8976 0.0000 0.0000 51934.0221 -109552.4001 298.4655 -161486.4222 -109197.3744 299.0977 -72.5239 -40.5376 761657.5755 14.6710 14.5927 PRESSURE: 2306000 -144.098 -80.2703 -246.598 -80.2702 25.9351 114.899 -246.6 114.899 1.39534 GPRESSURE: 2306000 -111.231 -29.3207 -217.409 -40.4909 -26.8416 124.417 -392.568 67.2737 117.67 PRESSAVG: 2306000 -0.0592755 -35.6432 79.1608 -35.6432 16.4163 16.9991 79.1608 16.9991 4.985 GPRESSAVG: 2306000 -0.0117659 -37.0701 79.5121 -35.8003 16.176 17.7008 76.9142 16.703 5.52843 TIMING: 2306000 CPU: 7361.25, 0.00320534/step Wall: 7361.25, 0.00320534/step, 2.39866 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 3967.1186 20321.8520 14490.7359 246.4475 -203405.4807 2678.1399 0.0000 0.0000 51901.9320 -109799.2549 298.2811 -161701.1869 -109436.0415 298.5642 -38.9224 -6.8011 762471.1029 7.1140 7.2309 PRESSURE: 2306200 -40.5313 -4.83629 104.761 -4.83624 -60.6241 187.004 104.761 187.003 88.467 GPRESSURE: 2306200 -71.4083 97.0209 105.916 46.5625 47.5842 215.284 87.5238 181.718 99.6563 PRESSAVG: 2306200 3.94485 59.679 -12.8749 59.6789 -38.6073 -1.77396 -12.8749 -1.77395 -13.0268 GPRESSAVG: 2306200 4.70096 61.2476 -11.6848 58.8916 -39.9494 -1.94169 -11.0738 -1.13464 -12.8682 TIMING: 2306200 CPU: 7361.89, 0.00320674/step Wall: 7361.89, 0.00320674/step, 2.39953 hours remaining, 241.832031 MB of memory in use. ENERGY: 2306200 3965.7596 20727.2336 14373.5302 237.9718 -203504.6641 2812.4367 0.0000 0.0000 51717.1279 -109670.6044 297.2190 -161387.7323 -109309.7968 298.7759 -4.2295 25.2774 762798.2859 -15.8964 -16.0389 PRESSURE: 2306400 -222.66 125.597 -129.034 125.596 -430.894 -148.983 -129.034 -148.983 -14.753 GPRESSURE: 2306400 -163.634 136.042 -49.984 62.0733 -416.837 -100.302 -187.226 -10.9478 -1.1272 PRESSAVG: 2306400 -54.9914 -44.2776 -16.7342 -44.2776 33.2116 31.5321 -16.7341 31.5322 -0.744156 GPRESSAVG: 2306400 -55.5975 -42.7057 -17.4609 -44.963 33.7826 30.2425 -17.1941 32.9061 0.0915493 TIMING: 2306400 CPU: 7362.52, 0.00316086/step Wall: 7362.52, 0.00316086/step, 2.36502 hours remaining, 241.832031 MB of memory in use. ENERGY: 2306400 4017.3034 20615.4911 14351.5751 240.9741 -203299.3240 2466.9038 0.0000 0.0000 51995.8178 -109611.2588 298.8207 -161607.0766 -109253.2221 299.2158 -222.7689 -193.8660 762030.7567 -7.5080 -7.2411 PRESSURE: 2306600 -117.893 85.7531 25.3513 85.7528 -104.357 32.0693 25.3511 32.0695 325.795 GPRESSURE: 2306600 33.5507 62.8525 25.8915 147.48 -146.356 73.2787 33.5817 -29.9768 277.244 PRESSAVG: 2306600 13.9013 -25.3461 -13.1704 -25.3461 32.8646 104.856 -13.1705 104.856 5.72632 GPRESSAVG: 2306600 14.5515 -27.9773 -13.9172 -25.3327 33.3906 104.084 -12.2618 104.852 4.81321 TIMING: 2306600 CPU: 7363.15, 0.00315847/step Wall: 7363.15, 0.00315847/step, 2.36307 hours remaining, 241.832031 MB of memory in use. ENERGY: 2306600 3973.8752 20550.5330 14408.9311 245.5790 -203561.3063 2640.6791 0.0000 0.0000 52210.4291 -109531.2799 300.0541 -161741.7090 -109164.6775 299.3471 34.5152 54.8129 761742.3880 17.4974 17.5851 PRESSURE: 2306800 -346.951 -0.537992 20.6635 -0.537277 -121.865 84.359 20.6632 84.3584 -229.758 GPRESSURE: 2306800 -202.9 -71.6107 84.705 -159.969 -174.848 63.865 -27.752 56.2434 -252.934 PRESSAVG: 2306800 -40.9347 -70.0649 -2.2526 -70.0649 33.1349 13.7197 -2.2526 13.7196 9.63346 GPRESSAVG: 2306800 -42.0019 -68.6249 -0.696613 -70.1562 33.7659 15.3277 -3.44917 11.8542 10.461 TIMING: 2306800 CPU: 7363.78, 0.00314423/step Wall: 7363.78, 0.00314423/step, 2.35224 hours remaining, 241.832031 MB of memory in use. ENERGY: 2306800 3953.3948 20563.9467 14408.6620 243.1788 -203519.4288 2558.9791 0.0000 0.0000 52085.1897 -109706.0777 299.3343 -161791.2674 -109357.3613 299.2956 -232.8582 -210.2271 761118.1849 0.6112 0.7417 PRESSURE: 2307000 -163.815 -143.989 -20.0001 -143.989 101.812 -0.539976 -19.9994 -0.539451 -74.2461 GPRESSURE: 2307000 -60.1813 -173.855 -45.9907 -112.73 76.2411 -72.9274 10.2245 11.4322 -70.1582 PRESSAVG: 2307000 -64.4404 -43.255 16.4882 -43.2549 66.3145 -19.2415 16.4881 -19.2415 -18.9078 GPRESSAVG: 2307000 -64.2258 -43.0705 15.2747 -44.327 65.2663 -20.6482 17.6416 -17.5935 -17.6731 TIMING: 2307000 CPU: 7364.42, 0.00318688/step Wall: 7364.42, 0.00318688/step, 2.38396 hours remaining, 241.832031 MB of memory in use. ENERGY: 2307000 4047.0187 20443.8327 14420.4190 249.8607 -203789.7862 2766.7662 0.0000 0.0000 52025.9965 -109835.8924 298.9941 -161861.8888 -109479.3025 298.9744 -45.4165 -18.0328 760812.0975 -5.6779 -5.5442 PRESSURE: 2307200 -255.868 -39.6323 318.625 -39.6319 -88.1849 -24.2353 318.625 -24.2346 -222.963 GPRESSURE: 2307200 -184.704 -4.3324 235.675 49.7172 -66.8586 51.0679 271.881 -158.89 -247.217 PRESSAVG: 2307200 29.4728 -35.423 2.89681 -35.4229 10.3056 -14.6843 2.89678 -14.6843 -2.75913 GPRESSAVG: 2307200 30.5099 -35.4747 4.54174 -34.5004 10.9674 -12.9694 3.26026 -17.4805 -4.28002 TIMING: 2307200 CPU: 7365.05, 0.00314581/step Wall: 7365.05, 0.00314581/step, 2.35306 hours remaining, 241.832031 MB of memory in use. ENERGY: 2307200 4040.6303 20476.2357 14479.1335 249.8736 -203717.8424 2680.7387 0.0000 0.0000 51896.4643 -109894.7663 298.2497 -161791.2306 -109535.1727 298.7812 -189.0054 -166.2601 759817.4850 12.3398 12.3991 PRESSURE: 2307400 -20.4826 -16.3753 138.536 -16.375 -219.007 -27.08 138.536 -27.0794 -233.728 GPRESSURE: 2307400 -79.4309 -7.49205 187.344 -28.5221 -65.1507 3.95636 73.0211 134.489 -246.135 PRESSAVG: 2307400 29.0759 -33.3826 29.7464 -33.3826 -14.0894 -30.8011 29.7464 -30.8011 -0.21712 GPRESSAVG: 2307400 29.1722 -32.7746 28.6962 -33.1779 -14.0783 -32.68 28.8138 -27.6879 -0.446185 TIMING: 2307400 CPU: 7365.69, 0.00318188/step Wall: 7365.69, 0.00318188/step, 2.37987 hours remaining, 241.832031 MB of memory in use. ENERGY: 2307400 3888.3276 20509.0316 14488.3755 241.7410 -203336.6940 2385.8222 0.0000 0.0000 52007.4692 -109815.9269 298.8876 -161823.3961 -109456.0523 298.6188 -157.7390 -130.2390 759783.8579 4.9231 4.8826 PRESSURE: 2307600 -347.969 187.872 -132.777 187.873 -141.388 64.3555 -132.776 64.3547 -7.83848 GPRESSURE: 2307600 -205.331 204.08 -143.678 232.993 -173.98 123.154 -109.265 -60.4076 -36.6224 PRESSAVG: 2307600 -9.48396 7.62569 17.2683 7.62565 -2.55129 -6.69237 17.2683 -6.69246 19.9594 GPRESSAVG: 2307600 -9.24941 7.92462 17.4105 9.6004 -2.32007 -5.6113 18.9446 -7.57376 19.1119 TIMING: 2307600 CPU: 7366.33, 0.00320672/step Wall: 7366.33, 0.00320672/step, 2.39827 hours remaining, 241.832031 MB of memory in use. ENERGY: 2307600 3990.8769 20563.5507 14479.1869 257.7884 -203293.3717 2599.7179 0.0000 0.0000 51811.9749 -109590.2761 297.7641 -161402.2510 -109232.8204 298.7429 -165.7317 -138.6443 759972.8911 2.6414 2.5141 PRESSURE: 2307800 -125.316 -140.885 9.79433 -140.885 -168.166 17.9168 9.79382 17.9155 -353.654 GPRESSURE: 2307800 -74.974 -156.869 97.6818 -48.4328 -146.266 39.1872 -16.1827 -44.7964 -328.052 PRESSAVG: 2307800 -3.86429 7.25613 -18.7223 7.2562 64.9241 3.07146 -18.7222 3.07144 -16.4595 GPRESSAVG: 2307800 -5.49144 6.49353 -18.1329 6.42485 64.285 1.6689 -20.5258 1.61594 -13.9861 TIMING: 2307800 CPU: 7366.96, 0.00316676/step Wall: 7366.96, 0.00316676/step, 2.36821 hours remaining, 241.832031 MB of memory in use. ENERGY: 2307800 4024.2439 20604.2473 14451.4089 236.0626 -203493.0262 2388.4822 0.0000 0.0000 52265.7390 -109522.8422 300.3719 -161788.5812 -109161.4088 299.8386 -215.7120 -183.0974 761005.0965 14.8668 14.9358 PRESSURE: 2308000 -357.864 -116.854 -150.082 -116.854 -252.983 -24.5684 -150.082 -24.5673 -305.46 GPRESSURE: 2308000 -248.234 -11.0167 -183.509 -122.007 -189.528 -26.2278 -202.546 -14.2798 -386.688 PRESSAVG: 2308000 45.0169 -36.8698 10.9531 -36.8698 -55.4853 -13.5991 10.9532 -13.5992 21.6675 GPRESSAVG: 2308000 46.365 -36.9977 10.8444 -38.3129 -55.2107 -11.6323 10.963 -12.5696 20.4728 TIMING: 2308000 CPU: 7367.6, 0.00317781/step Wall: 7367.6, 0.00317781/step, 2.3763 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 4060.8179 20271.3237 14540.0600 252.4561 -203271.9056 2441.7081 0.0000 0.0000 52096.6920 -109608.8479 299.4004 -161705.5399 -109240.4325 299.4538 -305.4359 -274.8166 759919.1398 3.7330 3.8757 PRESSURE: 2308200 -167.067 -51.8054 8.15815 -51.8052 -67.371 51.0351 8.15823 51.0365 12.892 GPRESSURE: 2308200 -176.625 2.96245 88.9604 -120.986 -29.8574 -8.63455 -1.09646 32.1449 63.6058 PRESSAVG: 2308200 -52.4912 -68.3239 -0.976384 -68.3239 19.5914 5.76214 -0.976369 5.76221 3.31269 GPRESSAVG: 2308200 -53.5246 -67.0184 -1.32815 -69.1672 20.6279 5.97062 -1.59923 5.26633 3.54347 TIMING: 2308200 CPU: 7368.23, 0.00319367/step Wall: 7368.23, 0.00319367/step, 2.38798 hours remaining, 241.832031 MB of memory in use. ENERGY: 2308200 3998.0239 20497.6786 14458.3147 251.0239 -203617.9920 2617.2279 0.0000 0.0000 52001.8895 -109793.8335 298.8556 -161795.7230 -109443.7403 299.0527 -73.8486 -47.6255 759101.8420 -9.8624 -9.7844 LDB: ============= START OF LOAD BALANCING ============== 7380.69 LDB: ============== END OF LOAD BALANCING =============== 7380.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7380.69 LDB: ============= START OF LOAD BALANCING ============== 7381.01 LDB: Largest compute 7057 load 0.035742 is 18.3% of average load 0.195257 LDB: Average compute 0.004378 is 2.2% of average load 0.195257 LDB: TIME 7381.01 LOAD: AVG 0.195257 MAX 0.213128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 7381.01 LOAD: AVG 0.195257 MAX 0.213128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: TIME 7381.01 LOAD: AVG 0.195257 MAX 0.213128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.609 MB LDB: ============== END OF LOAD BALANCING =============== 7381.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.02 PRESSURE: 2308400 -243.395 11.9061 4.14782 11.9056 -603.632 -99.0289 4.14743 -99.0277 -199.067 GPRESSURE: 2308400 -321.985 -66.9437 74.8075 33.9684 -555.182 -110.457 -13.7603 -120.794 -97.4253 PRESSAVG: 2308400 -17.3655 -28.7089 -24.5358 -28.7089 15.8376 -63.9995 -24.5358 -63.9995 2.28925 GPRESSAVG: 2308400 -17.2547 -29.5835 -22.8709 -27.0552 15.1173 -65.3208 -25.373 -63.4168 2.47486 TIMING: 2308400 CPU: 7368.88, 0.00323259/step Wall: 7368.88, 0.00323259/step, 2.4169 hours remaining, 240.347656 MB of memory in use. ENERGY: 2308400 4036.4742 20536.5399 14399.6382 241.5621 -203047.0092 2219.6460 0.0000 0.0000 51813.1033 -109800.0455 297.7706 -161613.1488 -109452.2742 298.5110 -348.6982 -324.8641 760504.6496 0.2538 0.1125 PRESSURE: 2308600 62.4173 -271.925 151.468 -271.925 -186.277 -8.80858 151.468 -8.80788 78.8727 GPRESSURE: 2308600 156.758 -200.676 210.282 -283.476 -148.771 32.2769 78.0675 -3.46506 30.6905 PRESSAVG: 2308600 -18.378 -39.5167 -28.6428 -39.5166 45.897 10.5393 -28.6428 10.5393 -7.77737 GPRESSAVG: 2308600 -16.7956 -38.2485 -29.8315 -40.3422 44.6318 12.1261 -27.4959 11.8148 -7.96259 TIMING: 2308600 CPU: 7369.52, 0.00317242/step Wall: 7369.52, 0.00317242/step, 2.37174 hours remaining, 240.347656 MB of memory in use. ENERGY: 2308600 3886.4294 20479.8726 14366.5553 237.5165 -203608.0839 2569.0905 0.0000 0.0000 52287.9987 -109780.6209 300.4998 -162068.6196 -109419.4404 298.5253 -14.9956 12.8926 759452.5174 6.5806 6.6245 PRESSURE: 2308800 195.67 50.4015 3.8939 50.401 -110.552 78.9427 3.89371 78.9436 -72.5388 GPRESSURE: 2308800 132.978 11.1646 -52.1016 116.288 -53.3934 86.3608 23.7031 26.8628 15.7281 PRESSAVG: 2308800 33.0995 -2.0108 37.0501 -2.01078 -17.9056 -28.4461 37.0501 -28.4461 -16.2431 GPRESSAVG: 2308800 32.287 -2.48784 37.5201 -1.13012 -16.2341 -30.5776 36.1907 -28.4628 -17.0747 TIMING: 2308800 CPU: 7370.15, 0.00318234/step Wall: 7370.15, 0.00318234/step, 2.37897 hours remaining, 240.347656 MB of memory in use. ENERGY: 2308800 3994.5960 20506.7313 14366.3658 248.8962 -203262.8860 2589.5161 0.0000 0.0000 51794.1047 -109762.6758 297.6614 -161556.7805 -109392.5791 298.3710 4.1928 31.7709 760586.9828 -0.3497 -0.3406 PRESSURE: 2309000 -432.959 -43.0357 110.351 -43.0362 -274.135 -23.6737 110.351 -23.6739 201.69 GPRESSURE: 2309000 -404.291 14.3859 190.815 -88.6758 -191.171 -7.39879 109.189 -13.7603 169.189 PRESSAVG: 2309000 67.0394 -21.9402 -0.600671 -21.9401 -15.7754 -28.6181 -0.600683 -28.6182 30.0757 GPRESSAVG: 2309000 67.3043 -22.9421 -1.68784 -22.7018 -16.2735 -27.0405 0.642097 -30.4672 30.9049 TIMING: 2309000 CPU: 7370.78, 0.00314352/step Wall: 7370.78, 0.00314352/step, 2.34978 hours remaining, 240.347656 MB of memory in use. ENERGY: 2309000 3994.5603 20483.1729 14434.9111 255.3079 -203043.9123 2094.1840 0.0000 0.0000 51922.0210 -109859.7550 298.3966 -161781.7760 -109494.7815 298.6182 -168.4680 -142.0909 761081.5026 27.1132 27.3119 PRESSURE: 2309200 -53.8412 -205.511 166.726 -205.511 47.0272 3.48353 166.726 3.48392 -123.659 GPRESSURE: 2309200 -0.632898 -130.054 248.516 -142.096 89.5308 64.3903 196.729 55.386 -126.209 PRESSAVG: 2309200 23.0536 -48.2564 -10.0882 -48.2564 -55.8358 13.2145 -10.0882 13.2144 6.23228 GPRESSAVG: 2309200 24.1811 -46.5105 -10.2275 -46.5271 -56.0879 13.541 -11.1196 14.2151 5.33278 TIMING: 2309200 CPU: 7371.41, 0.00315849/step Wall: 7371.41, 0.00315849/step, 2.36079 hours remaining, 240.347656 MB of memory in use. ENERGY: 2309200 4013.4636 20380.5590 14457.1917 252.7058 -203217.8040 2265.8449 0.0000 0.0000 51918.3789 -109929.6601 298.3756 -161848.0390 -109563.9057 298.3017 -43.4911 -12.4372 759684.8536 -8.8500 -8.8580 PRESSURE: 2309400 64.0786 116.257 -39.7859 116.256 -97.5423 230.237 -39.7856 230.236 -79.3212 GPRESSURE: 2309400 127.268 36.7979 -31.8593 115.49 -129.98 167.172 -95.8428 122.706 -26.7976 PRESSAVG: 2309400 -5.74079 19.368 59.4671 19.368 10.0587 17.4384 59.4671 17.4384 -5.68637 GPRESSAVG: 2309400 -5.68511 17.7776 61.3181 17.0992 9.59687 18.4248 59.254 16.6658 -5.13011 TIMING: 2309400 CPU: 7372.04, 0.00313025/step Wall: 7372.04, 0.00313025/step, 2.33951 hours remaining, 240.347656 MB of memory in use. ENERGY: 2309400 4029.7558 20529.8714 14484.3799 246.4658 -203751.1216 2694.6055 0.0000 0.0000 52109.4427 -109656.6005 299.4737 -161766.0432 -109294.5622 298.6378 -37.5950 -9.8366 758653.6795 -0.4561 -0.4061 PRESSURE: 2309600 335.528 69.0254 42.8619 69.0238 225.217 -101.141 42.8612 -101.142 285.154 GPRESSURE: 2309600 383.963 132.222 21.5008 123.973 186.316 -111.077 -66.6864 -94.4457 356.313 PRESSAVG: 2309600 56.9106 -41.8637 44.7634 -41.8637 -36.1965 -22.9225 44.7634 -22.9225 3.34002 GPRESSAVG: 2309600 56.6909 -42.714 43.9802 -39.0262 -35.668 -24.9312 42.6875 -20.6307 3.40305 TIMING: 2309600 CPU: 7372.67, 0.00315875/step Wall: 7372.67, 0.00315875/step, 2.36064 hours remaining, 240.347656 MB of memory in use. ENERGY: 2309600 3959.7291 20564.8894 14491.4533 255.5289 -203602.7433 2642.5753 0.0000 0.0000 52063.8077 -109624.7595 299.2114 -161688.5672 -109275.9957 299.0047 281.9664 308.8638 760286.3123 8.0180 8.1420 PRESSURE: 2309800 -192.727 91.8028 -177.908 91.8027 -1.52348 198.53 -177.908 198.532 -259.698 GPRESSURE: 2309800 -40.3134 -32.9996 -142.791 90.7655 -4.80056 175.75 -37.9234 261.043 -335.033 PRESSAVG: 2309800 33.9438 -18.5002 20.9396 -18.5002 -49.0836 26.9759 20.9395 26.976 12.7803 GPRESSAVG: 2309800 33.6841 -16.3737 22.5482 -20.229 -48.4703 27.5875 22.2339 25.2068 12.231 TIMING: 2309800 CPU: 7373.3, 0.00316947/step Wall: 7373.3, 0.00316947/step, 2.36847 hours remaining, 240.347656 MB of memory in use. ENERGY: 2309800 3973.4312 20570.9177 14431.5209 235.0227 -203165.7389 2562.9341 0.0000 0.0000 51995.9779 -109395.9343 298.8216 -161391.9122 -109033.1120 299.2161 -151.3163 -126.7158 760991.3711 -0.7865 -0.8517 PRESSURE: 2310000 -108.596 -200.716 -49.0774 -200.716 -171.402 -88.8532 -49.077 -88.8533 -26.6575 GPRESSURE: 2310000 -16.3436 -221.045 -46.8102 -248.156 -256.104 -17.2091 26.8816 -64.0725 66.7703 PRESSAVG: 2310000 79.6946 -50.1711 34.6508 -50.171 -62.1144 18.98 34.6509 18.98 21.3862 GPRESSAVG: 2310000 80.7281 -50.762 33.2854 -49.9604 -62.8145 20.4107 36.1348 19.0801 21.4068 TIMING: 2310000 CPU: 7373.94, 0.00317664/step Wall: 7373.94, 0.00317664/step, 2.37365 hours remaining, 240.347656 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: 2310000 4004.5286 20514.1331 14400.4958 244.9078 -203376.2039 2532.0370 0.0000 0.0000 52119.2177 -109560.8839 299.5299 -161680.1015 -109200.6644 299.9449 -102.2185 -68.5589 760127.4287 12.9888 13.1068 PRESSURE: 2310200 -11.9095 -147.507 -24.9028 -147.506 -159.283 -17.0765 -24.9023 -17.0764 -261.94 GPRESSURE: 2310200 43.7387 -186.468 -39.2499 -136.659 -138.799 -133.676 -9.52039 70.5838 -270.797 PRESSAVG: 2310200 41.4196 -29.8195 5.27977 -29.8195 -77.5977 -57.8718 5.27976 -57.8718 -6.90677 GPRESSAVG: 2310200 40.715 -31.3172 6.41839 -27.6316 -76.8685 -59.8559 1.99516 -56.6578 -7.12943 TIMING: 2310200 CPU: 7374.59, 0.00323783/step Wall: 7374.59, 0.00323783/step, 2.4192 hours remaining, 240.347656 MB of memory in use. ENERGY: 2310200 3951.4331 20654.0884 14421.6095 254.1189 -202769.6228 2145.0662 0.0000 0.0000 52105.1282 -109238.1786 299.4489 -161343.3067 -108878.9742 298.9726 -144.3774 -121.9524 761452.3386 -14.3616 -14.4277 PRESSURE: 2310400 389.683 -51.9603 -73.6624 -51.9603 60.95 12.4105 -73.6629 12.4097 46.6614 GPRESSURE: 2310400 391.081 -62.6318 -74.7558 -143.762 73.8656 20.3988 33.7254 -90.5027 117.271 PRESSAVG: 2310400 13.5556 -89.9784 16.8729 -89.9784 -17.697 28.3694 16.873 28.3693 -1.34238 GPRESSAVG: 2310400 12.5027 -90.9555 14.8952 -93.7313 -16.9216 27.6739 19.6651 27.1272 -0.487308 TIMING: 2310400 CPU: 7375.22, 0.00318517/step Wall: 7375.22, 0.00318517/step, 2.37967 hours remaining, 240.347656 MB of memory in use. ENERGY: 2310400 4028.2705 20546.1611 14454.6558 249.5165 -203697.9224 2876.1021 0.0000 0.0000 51978.6253 -109564.5910 298.7219 -161543.2162 -109208.4168 299.4447 165.7647 194.0724 762143.5254 -1.8279 -1.6354 PRESSURE: 2310600 14.5322 209.611 228.719 209.611 -81.4269 117.94 228.72 117.94 -53.9753 GPRESSURE: 2310600 65.0712 265.567 197.124 151.692 -38.8773 7.68539 185.946 88.5143 -59.457 PRESSAVG: 2310600 -5.48184 10.2302 64.941 10.2302 -23.5877 -31 64.941 -31 1.05616 GPRESSAVG: 2310600 -4.1722 13.4552 64.7664 9.4746 -25.8152 -28.9752 65.5387 -30.5559 2.16541 TIMING: 2310600 CPU: 7375.86, 0.00315574/step Wall: 7375.86, 0.00315574/step, 2.35751 hours remaining, 240.347656 MB of memory in use. ENERGY: 2310600 3999.4118 20402.3450 14396.1633 252.1299 -203515.4033 2709.7929 0.0000 0.0000 52221.4896 -109534.0708 300.1176 -161755.5604 -109176.1886 299.5100 -40.2900 -11.0877 761821.3401 -9.3378 -9.2740 PRESSURE: 2310800 -172.483 121.439 80.1483 121.439 91.0318 94.6934 80.149 94.6942 -79.9849 GPRESSURE: 2310800 -72.0246 149.943 155.18 146.461 149.754 106.071 34.4129 80.924 -166.446 PRESSAVG: 2310800 32.7113 -15.4907 40.3202 -15.4906 -32.5204 16.6961 40.3202 16.6962 -0.697814 GPRESSAVG: 2310800 34.9146 -18.128 39.9655 -13.3455 -31.9885 15.102 39.7821 17.5456 -4.16208 TIMING: 2310800 CPU: 7376.49, 0.00316869/step Wall: 7376.49, 0.00316869/step, 2.36701 hours remaining, 240.347656 MB of memory in use. ENERGY: 2310800 4034.1707 20591.4794 14493.6695 253.2491 -203188.3394 2389.2146 0.0000 0.0000 51923.7649 -109502.7912 298.4066 -161426.5561 -109140.5972 299.5529 -53.8121 -29.5724 760575.6341 -0.1690 -0.4120 PRESSURE: 2311000 509.337 -131.131 86.5299 -131.13 42.4333 144.341 86.5307 144.341 13.2713 GPRESSURE: 2311000 597.636 -106.445 218.634 -75.2524 -5.59946 37.358 28.2698 205.257 61.7306 PRESSAVG: 2311000 17.6127 18.6766 2.80539 18.6766 23.5173 33.455 2.80547 33.455 18.6256 GPRESSAVG: 2311000 15.3251 20.0727 4.47146 18.2524 24.1877 34.7732 2.7066 32.92 20.373 TIMING: 2311000 CPU: 7377.13, 0.00319921/step Wall: 7377.13, 0.00319921/step, 2.38963 hours remaining, 240.347656 MB of memory in use. ENERGY: 2311000 3943.2950 20427.0346 14444.3261 241.5799 -203716.5830 2705.7102 0.0000 0.0000 52008.3539 -109946.2833 298.8927 -161954.6372 -109579.9826 299.1313 188.3471 217.9225 761513.5138 19.9185 19.9619 PRESSURE: 2311200 192.83 253.087 -185.999 253.088 -2.97066 -3.19468 -185.999 -3.19483 128.962 GPRESSURE: 2311200 274.981 243.378 -162.203 102.059 -3.66547 12.3016 -131.95 7.27932 133.986 PRESSAVG: 2311200 66.9328 -49.8951 7.74424 -49.8951 -80.987 -9.54734 7.74424 -9.5473 -31.7457 GPRESSAVG: 2311200 66.8933 -52.108 7.50289 -48.7051 -80.5784 -9.54759 7.7816 -8.46054 -31.9968 TIMING: 2311200 CPU: 7377.76, 0.00314486/step Wall: 7377.76, 0.00314486/step, 2.34886 hours remaining, 240.347656 MB of memory in use. ENERGY: 2311200 3903.1918 20454.9847 14454.9148 249.8391 -203578.7090 2755.9958 0.0000 0.0000 51689.9911 -110069.7917 297.0631 -161759.7828 -109717.2192 298.0966 106.2738 135.1008 760698.2465 -15.2667 -15.2273 PRESSURE: 2311400 -194.289 92.5091 -147.567 92.509 160.79 4.78416 -147.567 4.78351 -389.384 GPRESSURE: 2311400 -156.521 75.3661 -178.572 24.3808 213.692 5.96249 -68.4226 -123.005 -420.446 PRESSAVG: 2311400 10.7575 -10.3578 -10.5878 -10.3577 -36.061 20.4558 -10.5879 20.4558 -12.7969 GPRESSAVG: 2311400 12.0014 -9.03851 -10.6942 -12.337 -37.5556 20.0827 -7.8547 18.9206 -12.7209 TIMING: 2311400 CPU: 7378.39, 0.00314416/step Wall: 7378.39, 0.00314416/step, 2.34817 hours remaining, 240.347656 MB of memory in use. ENERGY: 2311400 3937.8710 20380.3157 14441.3559 246.9244 -203655.3633 2693.2735 0.0000 0.0000 51889.0557 -110066.5671 298.2071 -161955.6227 -109692.4114 297.8977 -140.9610 -121.0919 759475.8805 -12.7001 -12.7584 PRESSURE: 2311600 -205.837 94.0773 199.092 94.0766 296.651 -133.044 199.092 -133.044 113.112 GPRESSURE: 2311600 -114.515 -38.1959 188.197 266.161 318.969 -75.7984 225.967 -139.67 92.9057 PRESSAVG: 2311600 -18.2923 -45.6801 -21.36 -45.6801 4.45154 -18.1723 -21.3601 -18.1722 16.1739 GPRESSAVG: 2311600 -19.5042 -45.5089 -21.047 -44.0369 6.20879 -17.6157 -24.5835 -17.6423 15.8349 TIMING: 2311600 CPU: 7379.02, 0.00315955/step Wall: 7379.02, 0.00315955/step, 2.35948 hours remaining, 240.347656 MB of memory in use. ENERGY: 2311600 4036.8431 20396.2903 14484.4470 222.0341 -203660.7487 2681.0340 0.0000 0.0000 51904.5959 -109935.5043 298.2964 -161840.1002 -109578.5310 298.1467 67.9751 99.1198 761578.9142 0.7777 0.8465 PRESSURE: 2311800 73.9243 -80.2256 50.6787 -80.2253 131.984 164.601 50.6787 164.601 305.758 GPRESSURE: 2311800 93.2432 -62.3278 79.9712 -78.379 167.788 217.749 94.8032 69.0711 330.172 PRESSAVG: 2311800 59.8167 -10.6431 -1.90502 -10.6432 -64.2418 -18.1225 -1.9051 -18.1225 -0.250932 GPRESSAVG: 2311800 59.8938 -8.89066 -2.37864 -10.5785 -65.0751 -20.1535 -2.58409 -17.9623 0.0557999 TIMING: 2311800 CPU: 7379.65, 0.00317449/step Wall: 7379.65, 0.00317449/step, 2.37046 hours remaining, 240.347656 MB of memory in use. ENERGY: 2311800 3974.6806 20455.8534 14480.6422 233.8616 -203758.3222 2833.8105 0.0000 0.0000 51873.5353 -109905.9386 298.1179 -161779.4739 -109550.6684 298.3565 170.5553 197.0678 762117.4802 -1.5587 -1.7085 PRESSURE: 2312000 22.2124 35.5732 78.9209 35.5729 171.174 87.4129 78.9203 87.4138 -167.959 GPRESSURE: 2312000 76.5802 -97.177 128.409 -51.3351 257.418 -48.5404 -64.8124 59.4713 -201.738 PRESSAVG: 2312000 -7.5127 -17.7432 -40.8805 -17.7432 -25.5124 -6.65651 -40.8805 -6.65654 6.14141 GPRESSAVG: 2312000 -6.48636 -17.7186 -42.0581 -18.2847 -25.9171 -5.69171 -40.6713 -6.51527 5.68758 TIMING: 2312000 CPU: 7380.29, 0.00316896/step Wall: 7380.29, 0.00316896/step, 2.36615 hours remaining, 240.347656 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: 2312000 3943.4790 20364.5622 14478.2643 232.1724 -203211.6997 2418.9057 0.0000 0.0000 51887.7261 -109886.5900 298.1995 -161774.3161 -109526.3137 297.9751 8.4760 44.0870 759464.2632 -8.9612 -8.9053 PRESSURE: 2312200 -139.745 67.416 18.389 67.416 -169.559 -24.6976 18.3898 -24.6978 -144.926 GPRESSURE: 2312200 -72.9522 -24.0457 -40.7595 -0.398888 -109.878 12.2585 140.365 138.943 -180.475 PRESSAVG: 2312200 27.972 -28.7249 -1.56276 -28.7249 -55.8954 4.45792 -1.56279 4.45791 -5.82255 GPRESSAVG: 2312200 27.3402 -30.1909 -0.631245 -29.9537 -55.5763 5.3041 -0.161325 3.83701 -5.89357 TIMING: 2312200 CPU: 7380.92, 0.00317969/step Wall: 7380.92, 0.00317969/step, 2.37399 hours remaining, 240.347656 MB of memory in use. ENERGY: 2312200 4049.7458 20466.2458 14447.3214 234.2588 -203358.5915 2462.7969 0.0000 0.0000 51886.2916 -109811.9312 298.1912 -161698.2228 -109457.2701 298.4883 -151.4103 -121.1018 761256.3618 -11.2486 -11.3766 LDB: ============= START OF LOAD BALANCING ============== 7393.38 LDB: ============== END OF LOAD BALANCING =============== 7393.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7393.38 LDB: ============= START OF LOAD BALANCING ============== 7393.7 LDB: Largest compute 7074 load 0.037388 is 19.2% of average load 0.195226 LDB: Average compute 0.004401 is 2.3% of average load 0.195226 LDB: TIME 7393.7 LOAD: AVG 0.195226 MAX 0.216883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 7393.7 LOAD: AVG 0.195226 MAX 0.216883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 7393.7 LOAD: AVG 0.195226 MAX 0.216883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 7393.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7393.71 PRESSURE: 2312400 -122.135 -258.783 172.564 -258.784 59.6395 -79.2337 172.563 -79.2324 -120.477 GPRESSURE: 2312400 -32.7428 -154.82 188.325 -285.072 43.5549 -134.457 184.087 -63.7092 -105.405 PRESSAVG: 2312400 3.67711 -37.1262 -7.40358 -37.1261 -22.6254 24.6074 -7.40362 24.6075 26.4263 GPRESSAVG: 2312400 3.72937 -38.2992 -6.62068 -34.8549 -22.3135 24.026 -7.57316 25.2532 25.8978 TIMING: 2312400 CPU: 7381.57, 0.00325154/step Wall: 7381.57, 0.00325154/step, 2.42745 hours remaining, 240.039062 MB of memory in use. ENERGY: 2312400 4000.4059 20428.9535 14382.6644 233.0052 -203734.6410 2747.8536 0.0000 0.0000 52326.4219 -109615.3365 300.7207 -161941.7584 -109247.9199 299.0755 -60.9905 -31.5310 760830.4045 2.4927 2.4379 PRESSURE: 2312600 -131.088 27.2801 -18.1939 27.2805 -315.357 87.8518 -18.1934 87.8517 18.7889 GPRESSURE: 2312600 -81.837 4.03144 -106.157 37.6891 -291.139 24.9852 -22.3958 5.91247 33.4061 PRESSAVG: 2312600 44.0296 -65.4117 9.57732 -65.4117 -24.7687 18.6807 9.57734 18.6807 -16.0132 GPRESSAVG: 2312600 44.6339 -64.5446 7.69647 -65.9277 -25.4742 18.7559 8.59691 19.0615 -15.9239 TIMING: 2312600 CPU: 7382.21, 0.00318519/step Wall: 7382.21, 0.00318519/step, 2.37774 hours remaining, 240.242188 MB of memory in use. ENERGY: 2312600 3940.5704 20631.8280 14357.0191 237.1418 -203530.5725 2696.5221 0.0000 0.0000 52036.9412 -109630.5500 299.0570 -161667.4912 -109261.7097 299.0856 -142.5520 -113.1899 761847.4123 1.0826 1.0786 PRESSURE: 2312800 -32.9539 -96.1961 -121.771 -96.1963 160.98 -84.0758 -121.771 -84.0758 -281.861 GPRESSURE: 2312800 -66.1401 13.3519 -124.53 -66.1611 234.817 -79.4863 -209.218 -23.0445 -271.422 PRESSAVG: 2312800 -38.4763 -47.9673 19.3537 -47.9674 58.0902 1.90788 19.3537 1.90774 6.03662 GPRESSAVG: 2312800 -38.8997 -47.6329 20.9286 -48.7268 57.5538 1.20902 17.3797 2.50086 6.99522 TIMING: 2312800 CPU: 7382.85, 0.00317283/step Wall: 7382.85, 0.00317283/step, 2.36834 hours remaining, 240.242188 MB of memory in use. ENERGY: 2312800 4016.5058 20798.9707 14530.7849 236.8724 -203569.2637 2482.1326 0.0000 0.0000 52092.4099 -109411.5873 299.3758 -161503.9972 -109055.9742 299.4185 -51.2782 -34.2483 759788.9475 8.5502 8.5498 PRESSURE: 2313000 -49.7175 36.3622 42.5692 36.3614 9.42537 72.2032 42.569 72.2031 126.444 GPRESSURE: 2313000 24.8738 -51.8878 -0.847985 47.5387 35.6269 8.08072 59.2145 177.785 105.205 PRESSAVG: 2313000 1.90905 -74.1861 -46.426 -74.186 25.9868 34.8332 -46.426 34.8332 -1.1134 GPRESSAVG: 2313000 1.46169 -75.7789 -47.1355 -74.2872 26.2338 36.072 -44.4846 33.5212 -1.2074 TIMING: 2313000 CPU: 7383.48, 0.00316709/step Wall: 7383.48, 0.00316709/step, 2.36388 hours remaining, 240.242188 MB of memory in use. ENERGY: 2313000 3931.2650 20477.0390 14380.3620 233.4110 -203365.4421 2637.1907 0.0000 0.0000 51947.9936 -109758.1808 298.5458 -161706.1744 -109400.7548 299.0944 28.7174 55.2352 761091.9945 8.9275 8.8294 PRESSURE: 2313200 -77.9256 -29.0563 -13.3431 -29.0564 -69.4492 90.6988 -13.3434 90.699 662.573 GPRESSURE: 2313200 -33.0183 -0.310331 -0.663861 -8.33719 33.2033 166.755 34.0756 2.626 618.982 PRESSAVG: 2313200 -10.7538 -51.9953 -4.49082 -51.9954 40.5669 27.2636 -4.49085 27.2636 1.59017 GPRESSAVG: 2313200 -11.2425 -49.6656 -3.63082 -51.7324 40.9065 27.4797 -3.19659 28.6682 1.79191 TIMING: 2313200 CPU: 7384.12, 0.00318288/step Wall: 7384.12, 0.00318288/step, 2.37549 hours remaining, 240.242188 MB of memory in use. ENERGY: 2313200 3897.4168 20397.3010 14438.2026 236.4992 -203413.1618 2618.4990 0.0000 0.0000 52047.5889 -109777.6542 299.1182 -161825.2432 -109411.0765 298.8621 171.7327 206.3891 760951.8204 10.4678 10.4853 PRESSURE: 2313400 31.7432 214.78 84.4297 214.78 130.669 -237.983 84.43 -237.983 129.572 GPRESSURE: 2313400 -1.28551 195.03 98.9926 172.307 129.651 -336.921 40.4833 -168.675 241.083 PRESSAVG: 2313400 -78.6077 -108.637 11.2929 -108.637 28.9225 25.3016 11.293 25.3017 8.07131 GPRESSAVG: 2313400 -78.5292 -109.063 9.5249 -110.146 28.3886 25.0147 9.99284 24.3024 8.59448 TIMING: 2313400 CPU: 7384.75, 0.00316726/step Wall: 7384.75, 0.00316726/step, 2.36366 hours remaining, 240.242188 MB of memory in use. ENERGY: 2313400 3946.7464 20466.5024 14394.6163 230.9323 -204028.6199 2996.0593 0.0000 0.0000 52018.2419 -109975.5213 298.9496 -161993.7632 -109611.2119 298.5472 97.3283 123.1494 760009.9041 -13.8713 -13.8487 PRESSURE: 2313600 -494.784 17.817 44.5274 17.8167 -251.349 -34.1975 44.527 -34.1982 -731.207 GPRESSURE: 2313600 -413.658 1.45909 -69.8231 131.55 -278.879 -21.7268 56.4632 -19.9413 -691.241 PRESSAVG: 2313600 -36.205 -80.3446 8.36097 -80.3446 22.7546 -48.717 8.36095 -48.7171 6.56024 GPRESSAVG: 2313600 -34.2247 -80.9702 9.60757 -80.0987 21.8909 -49.2315 9.35905 -48.8065 5.74578 TIMING: 2313600 CPU: 7385.38, 0.00316003/step Wall: 7385.38, 0.00316003/step, 2.35808 hours remaining, 240.242188 MB of memory in use. ENERGY: 2313600 4115.7097 20611.4585 14471.7550 243.3128 -203401.5992 2351.8801 0.0000 0.0000 51824.3667 -109783.1163 297.8353 -161607.4830 -109422.3511 298.8743 -492.4465 -461.2596 761306.5838 -2.2967 -2.1960 PRESSURE: 2313800 -46.8497 -100.485 284.382 -100.485 -369.021 35.1651 284.382 35.1649 -314.015 GPRESSURE: 2313800 -69.5048 -71.989 236.546 -158.708 -276.113 80.6021 229.382 5.55158 -296.529 PRESSAVG: 2313800 -38.6288 -50.7413 2.30408 -50.7413 -11.6173 -7.32939 2.30409 -7.32942 -10.2417 GPRESSAVG: 2313800 -40.5215 -50.7807 3.33661 -50.8262 -9.99981 -9.16812 0.226367 -5.25104 -10.8678 TIMING: 2313800 CPU: 7386.01, 0.00316201/step Wall: 7386.01, 0.00316201/step, 2.35938 hours remaining, 240.242188 MB of memory in use. ENERGY: 2313800 3992.8600 20458.6088 14545.8921 251.5664 -203192.3520 2244.6790 0.0000 0.0000 51856.0097 -109842.7360 298.0172 -161698.7457 -109478.0468 298.8796 -243.2955 -214.0490 761171.3822 -20.1626 -20.4631 PRESSURE: 2314000 98.9871 -85.6239 9.26506 -85.6235 -103.84 -59.3132 9.265 -59.3131 -13.7666 GPRESSURE: 2314000 112.252 -2.36301 -8.34573 -41.2237 -75.4805 -132.521 -15.5189 2.30373 33.3054 PRESSAVG: 2314000 42.9917 -42.9297 49.8583 -42.9297 7.5084 -3.28572 49.8584 -3.28577 20.0423 GPRESSAVG: 2314000 43.3323 -41.5512 47.8055 -43.974 8.21049 -0.673764 52.1429 -5.60633 19.4029 TIMING: 2314000 CPU: 7386.64, 0.00313303/step Wall: 7386.64, 0.00313304/step, 2.33759 hours remaining, 240.242188 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: 2314000 3986.1112 20550.1808 14454.3832 234.5116 -203313.1891 2523.1557 0.0000 0.0000 51813.4425 -109751.4042 297.7726 -161564.8467 -109386.8820 298.7262 -6.2065 23.3591 760651.1375 23.5141 23.6486 PRESSURE: 2314200 58.0113 -83.876 -25.4106 -83.8763 257.558 186.916 -25.4099 186.915 88.4913 GPRESSURE: 2314200 156.628 -71.4303 -25.7982 -80.1834 288.698 109.849 -15.7524 148.41 53.3336 PRESSAVG: 2314200 0.57409 -25.7677 -13.0867 -25.7677 9.61045 -0.261986 -13.0867 -0.261917 9.58613 GPRESSAVG: 2314200 0.498622 -25.7181 -11.7024 -25.5272 8.9747 0.281188 -13.932 0.656062 10.4846 TIMING: 2314200 CPU: 7387.27, 0.00316217/step Wall: 7387.27, 0.00316217/step, 2.35915 hours remaining, 240.242188 MB of memory in use. ENERGY: 2314200 3933.8516 20355.6267 14541.2358 242.3577 -204177.7921 3230.7990 0.0000 0.0000 51919.7742 -109954.1471 298.3837 -161873.9213 -109587.1662 298.2212 134.6870 166.2200 760993.9817 6.5902 6.6526 PRESSURE: 2314400 48.8972 135.021 -52.867 135.021 -208.76 -39.7621 -52.8671 -39.7624 -272.625 GPRESSURE: 2314400 145.74 -30.1344 -56.834 33.7255 -291.357 -12.6395 -75.9275 -37.7088 -211.572 PRESSAVG: 2314400 23.0564 -54.7934 3.02337 -54.7935 1.7509 45.6423 3.0234 45.6423 14.841 GPRESSAVG: 2314400 23.9229 -55.8509 2.16447 -52.9305 -0.347648 44.2637 3.42979 47.8582 15.0622 TIMING: 2314400 CPU: 7387.91, 0.00319267/step Wall: 7387.91, 0.00319267/step, 2.38173 hours remaining, 240.242188 MB of memory in use. ENERGY: 2314400 4096.8987 20360.7125 14363.9204 242.9528 -203945.9089 2747.2845 0.0000 0.0000 52055.2841 -110078.8560 299.1624 -162134.1401 -109721.0084 298.2784 -144.1624 -119.0633 760635.6599 13.2161 12.8792 PRESSURE: 2314600 -27.5356 -222.107 1.61147 -222.107 44.6296 -109.144 1.61202 -109.144 48.6049 GPRESSURE: 2314600 -22.7688 -144.316 -16.6088 -156.789 87.113 -73.0813 114.233 -97.3301 88.9983 PRESSAVG: 2314600 -38.6153 -35.6547 9.45051 -35.6547 32.1438 24.2092 9.45051 24.2091 -14.5472 GPRESSAVG: 2314600 -39.7091 -34.4209 10.2108 -35.0799 34.4602 25.4135 11.6603 21.3668 -15.3375 TIMING: 2314600 CPU: 7388.54, 0.00316438/step Wall: 7388.54, 0.00316438/step, 2.36045 hours remaining, 240.242188 MB of memory in use. ENERGY: 2314600 3936.3210 20314.0751 14449.2154 255.6797 -203518.0599 2634.1183 0.0000 0.0000 51814.1723 -110114.4780 297.7768 -161928.6503 -109757.7991 297.8482 21.8996 51.1142 763723.6368 -7.0062 -6.8621 PRESSURE: 2314800 -13.9281 -99.2507 116.217 -99.251 90.389 104.913 116.217 104.914 -149.901 GPRESSURE: 2314800 20.7729 -152.412 120.512 -74.0313 101.858 178.745 -123.51 -80.2073 -110.2 PRESSAVG: 2314800 61.7323 -5.63254 7.81105 -5.63254 6.37767 -31.3277 7.81104 -31.3276 -19.4061 GPRESSAVG: 2314800 62.1274 -4.72787 7.09619 -7.0952 6.65014 -32.159 5.26107 -30.8023 -19.6949 TIMING: 2314800 CPU: 7389.18, 0.00316751/step Wall: 7389.18, 0.00316751/step, 2.36261 hours remaining, 240.242188 MB of memory in use. ENERGY: 2314800 3974.9930 20292.9639 14525.8270 259.4321 -203717.1904 2710.4465 0.0000 0.0000 51999.6817 -109953.8463 298.8429 -161953.5280 -109590.9123 297.9216 -24.4800 4.1436 761018.3688 16.2346 16.3609 PRESSURE: 2315000 73.2718 13.8716 118.493 13.8709 34.288 130.88 118.493 130.88 -168.14 GPRESSURE: 2315000 114.479 97.1741 71.143 -1.7396 19.5879 79.3773 157.928 203.935 -117.466 PRESSAVG: 2315000 24.5161 -45.2524 -12.6024 -45.2524 -47.2803 37.7303 -12.6023 37.7303 -3.04454 GPRESSAVG: 2315000 24.561 -46.0697 -12.1671 -46.4848 -48.7808 38.7929 -14.1798 38.6142 -1.89655 TIMING: 2315000 CPU: 7389.81, 0.00318055/step Wall: 7389.81, 0.00318055/step, 2.37216 hours remaining, 240.242188 MB of memory in use. ENERGY: 2315000 4038.7478 20470.4381 14471.9518 241.6250 -203543.7200 2474.0481 0.0000 0.0000 51979.7077 -109867.2016 298.7281 -161846.9094 -109493.6468 298.4483 -20.1935 5.5337 760649.3237 -8.6029 -8.7054 PRESSURE: 2315200 -29.3038 -144.891 -257.816 -144.89 -14.9246 -111.659 -257.815 -111.659 -203.611 GPRESSURE: 2315200 -55.6305 -140.758 -194.815 -94.3444 70.9736 -99.3734 -316.61 -137.126 -184.704 PRESSAVG: 2315200 37.4117 -64.254 -30.5868 -64.2539 -39.0308 36.4179 -30.5868 36.418 1.47272 GPRESSAVG: 2315200 36.5422 -64.6509 -31.5952 -62.7071 -38.0585 36.6469 -27.677 35.5941 1.4597 TIMING: 2315200 CPU: 7390.44, 0.00315156/step Wall: 7390.44, 0.00315156/step, 2.35036 hours remaining, 240.242188 MB of memory in use. ENERGY: 2315200 4092.0015 20540.1099 14488.9933 233.7639 -203904.2859 2599.0644 0.0000 0.0000 52052.7344 -109897.6186 299.1478 -161950.3529 -109531.0150 298.2208 -82.6130 -56.4535 760660.0116 -0.0488 -0.0189 PRESSURE: 2315400 -79.2144 181.664 -13.5401 181.665 79.7778 -74.8772 -13.5399 -74.877 -410.171 GPRESSURE: 2315400 -40.2404 139.486 108.07 124.966 84.8055 -133.408 -49.618 -58.9864 -381.799 PRESSAVG: 2315400 29.8566 -0.629886 -29.5798 -0.629881 7.95609 -6.67368 -29.5798 -6.67379 -4.29844 GPRESSAVG: 2315400 29.1619 -0.21621 -26.8283 -0.425778 8.57466 -7.05342 -32.2213 -6.64439 -4.13464 TIMING: 2315400 CPU: 7391.08, 0.00316058/step Wall: 7391.08, 0.00316058/step, 2.35692 hours remaining, 240.242188 MB of memory in use. ENERGY: 2315400 4032.4446 20525.9430 14517.7711 263.7332 -203746.4372 2681.3270 0.0000 0.0000 51887.8620 -109837.3562 298.2003 -161725.2183 -109478.1682 298.4407 -136.5359 -112.4112 761195.6848 11.1714 11.2006 PRESSURE: 2315600 75.8431 -219.409 -34.2573 -219.408 79.4628 -4.9593 -34.2565 -4.9605 146.269 GPRESSURE: 2315600 38.0392 -50.5207 8.91364 -233.031 103.233 65.4646 -145.206 40.7962 239.83 PRESSAVG: 2315600 46.755 6.58431 67.3045 6.58429 -53.1975 60.962 67.3045 60.9619 9.49825 GPRESSAVG: 2315600 46.5602 6.69325 66.1415 6.19917 -53.7801 61.9722 67.0009 61.6005 10.6702 TIMING: 2315600 CPU: 7391.71, 0.00315738/step Wall: 7391.71, 0.00315738/step, 2.35436 hours remaining, 240.242188 MB of memory in use. ENERGY: 2315600 4089.3433 20673.3212 14447.2062 254.1535 -203375.5457 2553.4090 0.0000 0.0000 51651.9672 -109706.1452 296.8446 -161358.1125 -109346.5393 298.8142 100.5249 127.0341 761278.5590 1.0186 1.1501 PRESSURE: 2315800 150.664 42.2895 -153.86 42.289 99.2061 191.616 -153.86 191.616 51.8617 GPRESSURE: 2315800 165.689 27.7143 -139.168 73.1543 173.159 155.6 5.12424 77.4203 41.2279 PRESSAVG: 2315800 15.5536 -19.234 16.2004 -19.234 35.9581 -14.7495 16.2004 -14.7495 -17.0668 GPRESSAVG: 2315800 18.4682 -19.953 14.9662 -19.9049 35.0037 -15.1557 16.4976 -15.5558 -18.1408 TIMING: 2315800 CPU: 7392.34, 0.00316343/step Wall: 7392.34, 0.00316343/step, 2.35869 hours remaining, 240.242188 MB of memory in use. ENERGY: 2315800 4039.6891 20440.2604 14514.8916 232.8130 -203394.5929 2563.0680 0.0000 0.0000 52175.7386 -109428.1323 299.8547 -161603.8709 -109071.6551 298.9262 100.5774 126.6921 758764.6074 11.4816 11.7770 PRESSURE: 2316000 186.289 -12.0211 -107.004 -12.0205 128.388 -63.5516 -107.004 -63.5524 -66.0213 GPRESSURE: 2316000 292.011 16.993 -85.2914 -23.8751 121.506 -172.248 -80.1909 -26.6116 -85.6522 PRESSAVG: 2316000 -23.3675 -17.5203 -2.44865 -17.5203 35.0066 -6.61432 -2.44855 -6.61433 15.389 GPRESSAVG: 2316000 -25.5808 -15.8419 -1.32278 -17.415 36.0944 -7.81201 -2.67747 -7.90097 16.8498 TIMING: 2316000 CPU: 7392.97, 0.00315431/step Wall: 7392.97, 0.00315431/step, 2.35172 hours remaining, 240.242188 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: 2316000 3905.9471 20584.0267 14495.8654 253.3149 -203669.4854 2739.6853 0.0000 0.0000 52057.5493 -109633.0967 299.1755 -161690.6460 -109266.9009 299.0210 82.8853 109.2882 761344.9609 9.0093 9.1211 PRESSURE: 2316200 141.958 -60.5429 -171.651 -60.5436 267.246 -199.868 -171.651 -199.868 77.3415 GPRESSURE: 2316200 202.18 -51.5643 -163.24 3.24805 226.63 -187.084 -252.097 -195.867 121.281 PRESSAVG: 2316200 4.98253 -46.2296 -16.4068 -46.2296 13.2323 17.7867 -16.4067 17.7868 -24.5074 GPRESSAVG: 2316200 6.59969 -46.3194 -15.9198 -45.9533 12.8551 19.6765 -16.0145 17.488 -26.0758 TIMING: 2316200 CPU: 7393.61, 0.00319865/step Wall: 7393.61, 0.00319865/step, 2.38459 hours remaining, 240.242188 MB of memory in use. ENERGY: 2316200 3991.5414 20647.8350 14561.5898 233.9247 -203806.1279 2777.7620 0.0000 0.0000 52000.2198 -109593.2553 298.8460 -161593.4751 -109234.0652 299.2048 162.1821 183.3638 760945.4117 -2.0975 -2.2070 LDB: ============= START OF LOAD BALANCING ============== 7406.07 LDB: ============== END OF LOAD BALANCING =============== 7406.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.07 LDB: ============= START OF LOAD BALANCING ============== 7406.38 LDB: Largest compute 7075 load 0.034813 is 17.8% of average load 0.195171 LDB: Average compute 0.004406 is 2.3% of average load 0.195171 LDB: TIME 7406.39 LOAD: AVG 0.195171 MAX 0.214296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 7406.39 LOAD: AVG 0.195171 MAX 0.214296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: TIME 7406.39 LOAD: AVG 0.195171 MAX 0.214296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: ============== END OF LOAD BALANCING =============== 7406.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.39 PRESSURE: 2316400 73.9266 18.4961 -99.2328 18.4944 -170.331 155.028 -99.233 155.028 422.687 GPRESSURE: 2316400 72.5251 91.1628 -115.271 -28.1861 -80.15 147.214 -50.6405 155.951 406.965 PRESSAVG: 2316400 17.6602 -36.4695 -17.9677 -36.4695 -12.8695 8.60151 -17.9677 8.60147 -6.99477 GPRESSAVG: 2316400 16.2267 -37.8013 -18.809 -37.2776 -11.8575 7.54627 -17.6781 9.57969 -6.85507 TIMING: 2316400 CPU: 7394.26, 0.00323504/step Wall: 7394.26, 0.00323504/step, 2.41155 hours remaining, 239.527344 MB of memory in use. ENERGY: 2316400 4039.9824 20525.3006 14504.4238 232.2801 -203840.5262 2818.4410 0.0000 0.0000 52135.6313 -109584.4669 299.6242 -161720.0982 -109217.3392 299.3933 108.7607 133.1133 759085.2248 -0.7347 -0.8286 PRESSURE: 2316600 -528.988 -160.715 -141.223 -160.714 -268.998 205.699 -141.223 205.7 -7.13625 GPRESSURE: 2316600 -425.98 -89.7389 -224.034 -138.916 -237.894 241.722 -51.5688 69.8801 -59.2477 PRESSAVG: 2316600 -19.6943 -1.76294 6.591 -1.76296 -43.1724 26.9969 6.59102 26.9969 14.6705 GPRESSAVG: 2316600 -18.3495 -2.46732 5.48826 -2.33311 -43.7489 27.3519 8.63536 24.9821 14.3562 TIMING: 2316600 CPU: 7394.89, 0.00316607/step Wall: 7394.89, 0.00316607/step, 2.35995 hours remaining, 239.527344 MB of memory in use. ENERGY: 2316600 4000.1692 20538.2256 14428.9440 238.6324 -203284.4351 2252.3817 0.0000 0.0000 52276.6576 -109549.4245 300.4347 -161826.0821 -109189.4222 299.6003 -268.3740 -241.0406 761535.1015 -16.0654 -15.9141 PRESSURE: 2316800 266.018 -151.619 9.50442 -151.619 -77.333 81.5966 9.5045 81.5971 -124.674 GPRESSURE: 2316800 248.966 -38.8815 -3.49168 -149.676 32.7269 90.4436 -156.679 -0.119821 -136.13 PRESSAVG: 2316800 16.5586 -15.8199 -16.9203 -15.8199 -24.6048 3.25264 -16.9203 3.25269 12.0614 GPRESSAVG: 2316800 15.5655 -13.6186 -14.9566 -14.8875 -23.9466 -0.243635 -20.3895 6.08908 12.3002 TIMING: 2316800 CPU: 7395.52, 0.00316713/step Wall: 7395.52, 0.00316713/step, 2.36056 hours remaining, 239.527344 MB of memory in use. ENERGY: 2316800 4086.0644 20600.6439 14452.0397 258.1998 -203914.0223 2875.5061 0.0000 0.0000 52277.7642 -109363.8043 300.4410 -161641.5685 -109007.8414 299.6031 21.3370 48.5211 760434.2409 1.3384 1.3064 PRESSURE: 2317000 135.745 110.441 -129.634 110.441 -182.101 23.372 -129.633 23.3721 -103.021 GPRESSURE: 2317000 196.669 72.7246 -164.147 81.2956 -121.159 -2.0052 -73.136 1.51225 -121.385 PRESSAVG: 2317000 15.5118 -22.0921 50.3729 -22.0922 -25.2262 -20.1745 50.373 -20.1745 -6.18984 GPRESSAVG: 2317000 15.043 -21.5234 50.3673 -24.1888 -26.2258 -17.8306 52.5589 -22.0525 -5.63744 TIMING: 2317000 CPU: 7396.16, 0.00319824/step Wall: 7396.16, 0.00319824/step, 2.38358 hours remaining, 239.527344 MB of memory in use. ENERGY: 2317000 4015.6748 20470.5936 14423.5692 243.0143 -203395.1430 2573.8651 0.0000 0.0000 52307.0638 -109361.3622 300.6094 -161668.4260 -108997.3834 299.8642 -49.7925 -15.2918 761050.6085 -5.3014 -5.6067 PRESSURE: 2317200 172.388 41.0388 -20.4758 41.0388 382.097 -51.3215 -20.476 -51.3224 175.633 GPRESSURE: 2317200 197.881 209.586 8.25288 -38.4608 410.639 -40.2481 -136.77 17.3918 223.645 PRESSAVG: 2317200 23.8959 3.94654 -20.0738 3.94651 -2.32122 9.89242 -20.0738 9.89245 -14.244 GPRESSAVG: 2317200 23.8409 1.9936 -19.9878 5.49845 -1.44709 10.5553 -20.2302 10.917 -14.5961 TIMING: 2317200 CPU: 7396.81, 0.00321252/step Wall: 7396.81, 0.00321252/step, 2.39404 hours remaining, 239.527344 MB of memory in use. ENERGY: 2317200 3993.5455 20589.9893 14497.0604 254.1012 -204071.8411 2866.3823 0.0000 0.0000 52316.0484 -109554.7140 300.6610 -161870.7623 -109184.0602 300.0788 243.3728 277.3883 758871.7780 2.4436 2.5992 PRESSURE: 2317400 -51.0099 298.49 27.406 298.49 -460.57 208.747 27.406 208.746 5.41437 GPRESSURE: 2317400 -26.96 176.17 -15.3284 302.399 -435.317 103.211 -14.4782 178.409 24.1519 PRESSAVG: 2317400 17.3462 -24.8512 4.4019 -24.8512 8.92367 29.21 4.40185 29.2101 16.644 GPRESSAVG: 2317400 18.1335 -23.7236 2.7884 -24.4561 7.53773 28.9023 4.86054 29.7669 17.5115 TIMING: 2317400 CPU: 7397.44, 0.00318859/step Wall: 7397.44, 0.00318859/step, 2.37603 hours remaining, 239.527344 MB of memory in use. ENERGY: 2317400 3914.9027 20548.2643 14522.9647 233.7471 -203469.0745 2567.2080 0.0000 0.0000 52200.0214 -109481.9662 299.9942 -161681.9876 -109120.3828 299.8607 -168.7217 -146.0418 761669.9686 14.3046 14.3942 PRESSURE: 2317600 11.5737 -46.4132 -137.078 -46.4137 -8.79604 -124.919 -137.078 -124.92 0.284476 GPRESSURE: 2317600 60.0348 -33.7976 -182.969 -32.6846 80.2659 -37.0937 -49.3235 -250.861 -35.7015 PRESSAVG: 2317600 -38.436 -9.2661 -0.604309 -9.26603 22.3073 31.1853 -0.604243 31.1854 16.0211 GPRESSAVG: 2317600 -38.4153 -9.7656 -0.0850329 -8.84497 23.4059 29.8153 -0.656098 33.0741 15.0716 TIMING: 2317600 CPU: 7398.08, 0.00319385/step Wall: 7398.08, 0.00319385/step, 2.37977 hours remaining, 239.527344 MB of memory in use. ENERGY: 2317600 3964.2660 20677.2061 14475.0851 234.8930 -203400.6563 2551.4400 0.0000 0.0000 51967.3871 -109530.3790 298.6573 -161497.7661 -109171.3601 299.4451 1.0207 34.8664 761374.0983 -0.0359 0.0207 PRESSURE: 2317800 -18.885 -31.9618 108.657 -31.962 -129.117 87.5497 108.657 87.5499 -252.638 GPRESSURE: 2317800 13.2279 -0.255304 247.969 34.8373 -120.838 123.644 -90.0729 101.396 -211.335 PRESSAVG: 2317800 -2.05192 22.3559 -3.2544 22.3559 4.21644 7.35988 -3.25438 7.35989 25.2109 GPRESSAVG: 2317800 -1.99767 24.6548 -1.85221 20.9074 3.3965 9.07074 -4.29915 5.62287 25.5853 TIMING: 2317800 CPU: 7398.72, 0.00321211/step Wall: 7398.72, 0.00321211/step, 2.3932 hours remaining, 239.527344 MB of memory in use. ENERGY: 2317800 3994.9818 20633.2215 14515.1265 253.4087 -203278.0642 2484.7689 0.0000 0.0000 52049.1708 -109347.3860 299.1273 -161396.5568 -108990.2425 299.6157 -133.5467 -106.3151 760543.2127 9.1251 8.9947 PRESSURE: 2318000 -14.364 310.092 -10.9069 310.092 362.813 74.6351 -10.9066 74.6358 -323.364 GPRESSURE: 2318000 41.0773 183.855 -47.8533 142.632 345.215 -15.9208 -19.6379 101.053 -295.195 PRESSAVG: 2318000 74.5276 -16.2857 -39.5624 -16.2856 -69.5459 29.5151 -39.5623 29.5151 9.62854 GPRESSAVG: 2318000 74.185 -17.5255 -41.2961 -16.7357 -68.725 26.7572 -39.8509 30.2456 9.34388 TIMING: 2318000 CPU: 7399.38, 0.00326475/step Wall: 7399.38, 0.00326476/step, 2.43224 hours remaining, 239.527344 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: 2318000 4077.4832 20518.1732 14451.2552 253.9689 -203373.3783 2458.7110 0.0000 0.0000 52205.5934 -109408.1934 300.0263 -161613.7868 -109049.7006 300.3642 8.3615 30.3658 761559.5143 4.8701 4.9346 PRESSURE: 2318200 321.087 -6.35199 -13.7262 -6.35193 -376.296 -25.2452 -13.7275 -25.2453 258.878 GPRESSURE: 2318200 225.24 -36.2478 -34.3841 -0.749236 -227.756 -68.0709 88.0812 65.966 286.608 PRESSAVG: 2318200 60.9158 -23.7165 -1.43552 -23.7165 -55.2247 -33.5909 -1.43555 -33.591 9.4138 GPRESSAVG: 2318200 60.8822 -24.4307 1.0897 -23.3659 -55.6068 -31.2531 0.437842 -34.1741 9.10749 TIMING: 2318200 CPU: 7400.03, 0.00324154/step Wall: 7400.03, 0.00324154/step, 2.41477 hours remaining, 239.527344 MB of memory in use. ENERGY: 2318200 3987.6596 20477.0588 14499.8136 250.6601 -203953.6419 2875.4505 0.0000 0.0000 52434.0227 -109428.9766 301.3390 -161862.9992 -109057.0126 300.4250 67.8898 94.6972 761080.1330 5.0349 4.7943 PRESSURE: 2318400 151.898 -22.9476 -148.776 -22.9473 -284.327 -12.5528 -148.776 -12.5533 70.0336 GPRESSURE: 2318400 179.727 -1.63315 -196.975 -181.063 -215.92 -26.1877 -186.968 60.1541 41.0231 PRESSAVG: 2318400 60.4649 -59.0125 -61.5088 -59.0125 -32.3282 2.22187 -61.5088 2.22178 6.04751 GPRESSAVG: 2318400 60.3061 -59.7687 -64.0686 -57.7277 -33.2253 2.50165 -64.4722 3.44299 6.23337 TIMING: 2318400 CPU: 7400.67, 0.00320401/step Wall: 7400.67, 0.00320401/step, 2.38663 hours remaining, 239.527344 MB of memory in use. ENERGY: 2318400 4085.9193 20571.7250 14431.4556 245.9854 -203620.6841 2600.1296 0.0000 0.0000 52435.3805 -109250.0886 301.3469 -161685.4691 -108887.5798 300.1715 -20.7984 1.6101 760461.8997 11.3947 11.1047 PRESSURE: 2318600 -74.434 155.468 89.1949 155.468 -163.87 -103.96 89.1947 -103.959 34.2841 GPRESSURE: 2318600 -51.3001 209.425 74.5026 76.237 -125.387 -107.167 125.192 -38.9324 59.1647 PRESSAVG: 2318600 19.5115 13.2778 -22.1318 13.2778 -10.1598 24.5896 -22.1318 24.5896 -13.0879 GPRESSAVG: 2318600 19.3777 13.678 -20.7091 12.8949 -10.874 24.0622 -19.4378 22.963 -12.2222 TIMING: 2318600 CPU: 7401.3, 0.00316282/step Wall: 7401.3, 0.00316282/step, 2.35577 hours remaining, 239.527344 MB of memory in use. ENERGY: 2318600 3975.7671 20623.0786 14454.3632 239.3588 -203152.1175 2442.4837 0.0000 0.0000 52059.0170 -109358.0492 299.1839 -161417.0662 -108997.2319 299.9423 -68.0066 -39.1741 760459.8443 -1.2454 -1.2395 PRESSURE: 2318800 -26.4981 -213.87 42.2796 -213.87 80.429 3.30339 42.2801 3.30335 -181.763 GPRESSURE: 2318800 1.91061 -285.418 14.787 -39.9917 96.1358 -57.5795 87.8789 109.569 -147.747 PRESSAVG: 2318800 -20.4411 -4.74563 -57.2121 -4.74568 34.4969 -7.39166 -57.2121 -7.39158 30.5196 GPRESSAVG: 2318800 -20.3322 -2.8607 -56.3518 -3.47244 36.1404 -7.37714 -58.3386 -9.56034 29.2393 TIMING: 2318800 CPU: 7401.93, 0.00317374/step Wall: 7401.93, 0.00317374/step, 2.36373 hours remaining, 239.527344 MB of memory in use. ENERGY: 2318800 4039.0114 20598.0312 14455.0674 231.3013 -203251.1117 2615.8043 0.0000 0.0000 51949.7787 -109362.1173 298.5561 -161311.8960 -109004.1286 299.5474 -42.6107 -16.5669 760617.7675 14.8585 15.0158 PRESSURE: 2319000 221.68 10.3361 -50.2391 10.3363 -27.1526 232.622 -50.2399 232.622 363.877 GPRESSURE: 2319000 251.78 -17.7183 52.1258 -59.9348 35.8545 219.663 -90.7673 278.614 331.931 PRESSAVG: 2319000 68.3291 -49.5058 -30.1233 -49.5058 -48.861 -24.5585 -30.1234 -24.5586 4.43518 GPRESSAVG: 2319000 68.8696 -47.7046 -28.6022 -50.9753 -49.3134 -24.6466 -30.3436 -22.9326 3.68452 TIMING: 2319000 CPU: 7402.57, 0.00316131/step Wall: 7402.57, 0.00316131/step, 2.3543 hours remaining, 239.527344 MB of memory in use. ENERGY: 2319000 4015.4832 20492.7318 14499.2302 238.8763 -204007.0982 3125.7398 0.0000 0.0000 51840.2666 -109794.7703 297.9267 -161635.0369 -109448.9863 299.5034 186.1351 206.5217 760630.0692 7.9678 7.7469 PRESSURE: 2319200 395.235 30.9848 68.1038 30.9847 135.762 11.8394 68.103 11.8408 -24.3126 GPRESSURE: 2319200 347.322 -84.9684 103.167 59.5364 215.485 0.139424 -7.32605 85.9412 10.4881 PRESSAVG: 2319200 97.7949 -34.9455 32.9551 -34.9455 -147.481 24.1273 32.9551 24.1274 -8.99742 GPRESSAVG: 2319200 97.0159 -37.3846 31.551 -34.4575 -147.411 23.784 32.7103 24.028 -8.7824 TIMING: 2319200 CPU: 7403.2, 0.00317269/step Wall: 7403.2, 0.00317269/step, 2.3626 hours remaining, 239.527344 MB of memory in use. ENERGY: 2319200 3955.6272 20346.6103 14421.7779 252.8144 -203718.8441 2803.7477 0.0000 0.0000 52023.2788 -109914.9878 298.9785 -161938.2666 -109551.8380 298.8197 168.8949 191.0984 761783.5532 -19.5611 -19.7260 PRESSURE: 2319400 -220.04 -181.759 -44.1953 -181.759 192.325 -157.646 -44.1948 -157.646 -41.1036 GPRESSURE: 2319400 -116.333 -253.065 -169.553 -15.2931 182.451 -123.256 65.2778 -59.6616 -45.2959 PRESSAVG: 2319400 14.1744 -112.187 31.4442 -112.187 -35.2457 43.9151 31.4442 43.9151 -2.85888 GPRESSAVG: 2319400 14.7122 -114.249 31.0093 -113.555 -36.5809 45.5494 31.8111 43.0908 -1.59499 TIMING: 2319400 CPU: 7403.84, 0.00317547/step Wall: 7403.84, 0.00317547/step, 2.36449 hours remaining, 239.527344 MB of memory in use. ENERGY: 2319400 3990.5542 20301.6808 14452.9700 252.2980 -203760.4645 2830.2856 0.0000 0.0000 52093.1254 -109839.5506 299.3799 -161932.6760 -109474.4228 298.7230 -22.9398 6.9408 760632.2677 -7.9767 -7.8212 PRESSURE: 2319600 -49.6963 3.97554 23.5796 3.97483 -145.217 -39.806 23.5783 -39.8065 -490.007 GPRESSURE: 2319600 -16.3713 50.826 -4.21846 21.4061 -162.248 -49.4606 18.4453 2.7245 -418.257 PRESSAVG: 2319600 -0.151501 -26.9748 6.70551 -26.9748 9.91669 0.270571 6.70551 0.270657 26.7977 GPRESSAVG: 2319600 -0.335363 -24.7624 5.93107 -25.1028 11.2295 -0.506904 5.16811 0.272066 26.0944 TIMING: 2319600 CPU: 7404.47, 0.00316387/step Wall: 7404.47, 0.00316387/step, 2.35567 hours remaining, 239.527344 MB of memory in use. ENERGY: 2319600 3979.1259 20502.8528 14394.1830 240.2095 -203571.6691 2536.0611 0.0000 0.0000 51942.8002 -109976.4366 298.5160 -161919.2367 -109622.1890 298.5259 -228.3071 -198.9588 760265.2712 12.1876 12.3295 PRESSURE: 2319800 -104.728 -99.9975 -38.1107 -99.9978 155.087 -15.3336 -38.1109 -15.3328 214.204 GPRESSURE: 2319800 13.2157 10.5851 -78.2887 -224.013 131.622 -14.7963 3.04383 -81.5956 202.555 PRESSAVG: 2319800 62.3413 -29.9362 51.3603 -29.9362 -40.5628 -63.1334 51.3602 -63.1333 -20.4833 GPRESSAVG: 2319800 62.323 -29.0444 50.5614 -30.0809 -41.3448 -62.8828 51.5122 -61.8219 -20.3419 TIMING: 2319800 CPU: 7405.1, 0.00316967/step Wall: 7405.1, 0.00316967/step, 2.35982 hours remaining, 239.527344 MB of memory in use. ENERGY: 2319800 4002.2921 20366.5249 14400.3142 223.8894 -203716.4516 2657.6912 0.0000 0.0000 52008.4710 -110057.2688 298.8934 -162065.7399 -109692.0820 298.3556 88.1876 115.7975 759978.3588 0.4317 0.2121 PRESSURE: 2320000 74.0725 15.4285 179.585 15.4281 -244.741 -167.312 179.585 -167.312 19.7157 GPRESSURE: 2320000 49.4385 99.7812 118.631 66.9373 -164.871 -255.164 191.506 -73.9139 34.5741 PRESSAVG: 2320000 71.4744 -91.4526 -0.146684 -91.4525 -51.2715 -1.43913 -0.14669 -1.43911 -4.22239 GPRESSAVG: 2320000 72.4174 -93.4996 2.70806 -89.6848 -52.6288 -1.37191 0.259507 -2.93084 -4.05678 TIMING: 2320000 CPU: 7405.74, 0.00319698/step Wall: 7405.74, 0.00319698/step, 2.37997 hours remaining, 239.527344 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: 2320000 3987.0010 20478.6676 14415.4985 259.5377 -203923.1765 2627.1422 0.0000 0.0000 52047.2950 -110108.0344 299.1165 -162155.3294 -109739.5502 298.2167 -50.3175 -26.9530 759923.7068 5.3269 5.2439 PRESSURE: 2320200 136.696 166.912 19.9563 166.912 -39.6048 128.054 19.9559 128.055 539.915 GPRESSURE: 2320200 241.068 -7.2227 -69.9121 173.588 -103.215 205.813 66.6942 104.534 578.38 PRESSAVG: 2320200 65.4934 -39.9108 18.7762 -39.9108 -103.651 -25.597 18.7762 -25.597 -9.54562 GPRESSAVG: 2320200 66.8205 -40.6711 17.871 -39.6663 -103.629 -25.5705 20.305 -25.8337 -10.3643 TIMING: 2320200 CPU: 7406.37, 0.00315909/step Wall: 7406.37, 0.00315909/step, 2.35159 hours remaining, 239.527344 MB of memory in use. ENERGY: 2320200 3943.6880 20408.1303 14435.7499 252.7559 -203535.4197 2638.0607 0.0000 0.0000 51701.2070 -110155.8280 297.1275 -161857.0350 -109802.6562 297.7947 212.3355 238.7442 760562.7117 -15.9010 -15.7241 LDB: ============= START OF LOAD BALANCING ============== 7418.83 LDB: ============== END OF LOAD BALANCING =============== 7418.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7418.83 LDB: ============= START OF LOAD BALANCING ============== 7419.16 LDB: Largest compute 7057 load 0.034222 is 17.5% of average load 0.195330 LDB: Average compute 0.004396 is 2.3% of average load 0.195330 LDB: TIME 7419.16 LOAD: AVG 0.19533 MAX 0.21147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 7419.16 LOAD: AVG 0.19533 MAX 0.21147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 7419.16 LOAD: AVG 0.19533 MAX 0.21147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 7419.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7419.17 PRESSURE: 2320400 42.8354 -84.5365 204.172 -84.5355 -151.192 11.8212 204.172 11.8226 204.594 GPRESSURE: 2320400 26.3542 -2.32544 173.06 -126.822 -19.514 117.271 167.99 -34.7309 185.896 PRESSAVG: 2320400 37.9374 -33.6528 -23.2763 -33.6528 -53.0876 -24.5678 -23.2763 -24.5677 20.1657 GPRESSAVG: 2320400 36.1514 -30.9801 -23.2018 -37.5301 -51.8144 -25.3314 -25.3775 -23.3538 20.7675 TIMING: 2320400 CPU: 7407.03, 0.00329875/step Wall: 7407.03, 0.00329875/step, 2.45537 hours remaining, 240.039062 MB of memory in use. ENERGY: 2320400 3887.9381 20499.5530 14469.3912 238.3335 -203508.8155 2523.4868 0.0000 0.0000 51801.3496 -110088.7632 297.7031 -161890.1129 -109728.4051 297.8669 32.0792 64.2453 760760.8556 1.6718 1.7015 PRESSURE: 2320600 29.0226 -46.5891 -102.507 -46.5895 45.2904 -277.896 -102.508 -277.896 286.965 GPRESSURE: 2320600 83.875 -55.6178 -131.378 -63.9533 61.0651 -197.238 -157.959 -277.386 311.713 PRESSAVG: 2320600 11.8815 -39.9321 26.0455 -39.9321 -38.4267 8.29127 26.0455 8.29131 12.3552 GPRESSAVG: 2320600 12.1217 -39.525 26.1632 -38.6834 -38.4282 8.43703 27.2136 8.98323 12.0706 TIMING: 2320600 CPU: 7407.69, 0.00325888/step Wall: 7407.69, 0.00325888/step, 2.42551 hours remaining, 240.242188 MB of memory in use. ENERGY: 2320600 3933.7947 20266.6364 14506.4526 271.6277 -203586.8648 2532.1829 0.0000 0.0000 52018.0516 -110058.1188 298.9485 -162076.1704 -109701.4148 298.2078 120.4260 152.2176 759065.6358 -4.7300 -4.7453 PRESSURE: 2320800 15.3891 213.621 -60.6312 213.62 41.8096 -22.4105 -60.6312 -22.4105 318.267 GPRESSURE: 2320800 102.661 142.723 -50.8522 230.416 72.8941 -64.7021 -43.6224 10.3139 300.947 PRESSAVG: 2320800 44.5699 -42.9808 29.3023 -42.9807 -62.7598 -4.25656 29.3023 -4.25656 2.76468 GPRESSAVG: 2320800 44.0949 -45.2114 27.3761 -41.3645 -61.9539 -5.04163 30.2025 -4.60112 2.71784 TIMING: 2320800 CPU: 7408.33, 0.00320393/step Wall: 7408.33, 0.00320393/step, 2.38444 hours remaining, 240.242188 MB of memory in use. ENERGY: 2320800 3963.9228 20395.3431 14445.3554 241.1514 -204106.5560 2838.5883 0.0000 0.0000 52284.6525 -109937.5425 300.4806 -162222.1950 -109574.8385 298.5454 125.1552 158.8338 760066.8134 -5.1417 -5.0470 PRESSURE: 2321000 117.438 -48.1226 51.5413 -48.1226 -7.87471 -39.4954 51.5414 -39.4951 -190.15 GPRESSURE: 2321000 92.4832 -22.9556 62.9422 -100.641 37.3973 -18.1919 35.4957 34.4906 -117.55 PRESSAVG: 2321000 41.7873 -46.5765 107.358 -46.5765 -20.1554 -30.4573 107.358 -30.4573 -13.7628 GPRESSAVG: 2321000 41.627 -43.8619 108.847 -47.5753 -19.7946 -30.6542 106.108 -29.3067 -14.6594 TIMING: 2321000 CPU: 7408.96, 0.00317587/step Wall: 7408.96, 0.00317587/step, 2.36338 hours remaining, 240.242188 MB of memory in use. ENERGY: 2321000 4029.5528 20546.6860 14451.8919 272.8704 -203825.9125 2743.3668 0.0000 0.0000 51810.3134 -109971.2312 297.7546 -161781.5446 -109628.5177 298.6031 -26.8624 4.1102 760515.2638 2.6230 2.3910 PRESSURE: 2321200 -11.8373 11.7473 77.6117 11.7468 39.9099 -57.072 77.6123 -57.0723 23.6358 GPRESSURE: 2321200 62.6069 2.48052 95.1474 48.568 14.3914 3.65288 -0.685706 -69.0721 54.1659 PRESSAVG: 2321200 50.145 -80.4336 7.61307 -80.4336 -20.2625 -24.1333 7.61303 -24.1334 -15.1962 GPRESSAVG: 2321200 50.3818 -84.0549 9.06411 -79.3349 -20.9935 -23.8593 8.12062 -26.5205 -14.5456 TIMING: 2321200 CPU: 7409.6, 0.00321455/step Wall: 7409.6, 0.00321455/step, 2.39199 hours remaining, 240.242188 MB of memory in use. ENERGY: 2321200 3986.5342 20394.1488 14462.3293 234.7047 -203582.4308 2366.0500 0.0000 0.0000 52145.8323 -109992.8315 299.6828 -162138.6637 -109633.9940 298.7145 17.2361 43.7214 759419.2648 4.8954 4.9476 PRESSURE: 2321400 -329.043 55.3133 -29.6097 55.3132 101.111 -201.53 -29.6089 -201.53 116.093 GPRESSURE: 2321400 -294.662 7.36652 20.3253 48.1208 140.478 -235.218 -34.3931 -30.3691 120.572 PRESSAVG: 2321400 -18.7515 -59.7811 -19.8136 -59.781 19.3606 -1.352 -19.8137 -1.35201 -2.27458 GPRESSAVG: 2321400 -18.2527 -58.8737 -21.4137 -60.3491 17.6503 -1.7879 -21.8585 -0.365913 -1.1847 TIMING: 2321400 CPU: 7410.24, 0.00318548/step Wall: 7410.24, 0.00318548/step, 2.37017 hours remaining, 240.242188 MB of memory in use. ENERGY: 2321400 3983.6755 20362.1953 14503.0871 241.2311 -203397.8329 2443.2213 0.0000 0.0000 51560.7302 -110303.6924 296.3202 -161864.4227 -109938.6054 298.2236 -37.2798 -11.2040 760801.2096 -0.5552 -0.5957 PRESSURE: 2321600 -375.442 171.764 125.419 171.764 173.616 -112.289 125.419 -112.29 108.472 GPRESSURE: 2321600 -323.052 194.132 71.7225 99.9943 174.346 -114.832 96.3344 -169.215 137.017 PRESSAVG: 2321600 -15.07 -53.3229 -13.4817 -53.3228 -17.0266 -78.098 -13.4817 -78.098 -15.398 GPRESSAVG: 2321600 -14.8874 -52.8879 -13.0029 -54.4247 -15.939 -78.2625 -13.2459 -78.2365 -16.7011 TIMING: 2321600 CPU: 7410.88, 0.00317673/step Wall: 7410.88, 0.00317673/step, 2.36349 hours remaining, 240.242188 MB of memory in use. ENERGY: 2321600 3989.8814 20369.7924 14439.3954 229.1287 -203656.7632 2510.1950 0.0000 0.0000 51820.6464 -110297.7239 297.8140 -162118.3703 -109943.3395 297.5267 -31.1177 -3.8961 759495.7765 -15.8315 -15.8425 PRESSURE: 2321800 -186.448 -156.875 -225.248 -156.875 -234.342 95.2494 -225.247 95.2496 108.158 GPRESSURE: 2321800 -136.524 -41.2065 -299.136 -234.829 -230.834 51.712 -201.752 45.3932 148.084 PRESSAVG: 2321800 -9.45075 -26.7329 26.366 -26.7329 55.5392 -55.9679 26.366 -55.9678 23.5282 GPRESSAVG: 2321800 -10.5823 -26.2676 26.3976 -27.7247 56.5877 -59.2637 28.1054 -54.6529 24.5518 TIMING: 2321800 CPU: 7411.52, 0.00320585/step Wall: 7411.52, 0.00320585/step, 2.38498 hours remaining, 240.242188 MB of memory in use. ENERGY: 2321800 3942.0670 20427.0088 14480.9269 265.0376 -203614.2266 2468.7701 0.0000 0.0000 51790.2091 -110240.2070 297.6390 -162030.4162 -109887.6851 298.1156 -104.2105 -73.0912 760064.8827 23.2055 23.5191 PRESSURE: 2322000 405.888 9.24194 4.28181 9.24136 33.0416 139.345 4.28256 139.346 -66.3863 GPRESSURE: 2322000 483.944 65.4302 -18.0334 9.5944 30.1821 126.166 -138.77 -7.60624 -76.3254 PRESSAVG: 2322000 12.0817 28.8265 -62.2142 28.8265 -20.7826 -27.119 -62.2141 -27.119 15.3514 GPRESSAVG: 2322000 14.4203 29.5162 -62.9848 29.3249 -22.5118 -23.4334 -62.7241 -26.7065 14.6052 TIMING: 2322000 CPU: 7412.17, 0.00323545/step Wall: 7412.17, 0.00323545/step, 2.40682 hours remaining, 240.242188 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: 2322000 3975.5541 20424.2835 14441.0330 227.2994 -203797.3374 2669.0151 0.0000 0.0000 51774.4892 -110285.6631 297.5487 -162060.1523 -109923.4539 297.4943 124.1811 145.9336 760949.5864 2.2168 2.1712 PRESSURE: 2322200 316.667 72.5918 43.129 72.5922 -294.406 99.0683 43.1294 99.0681 -54.1607 GPRESSURE: 2322200 262.321 158.216 113.709 -53.0469 -158.871 110.791 101.143 140.646 -50.948 PRESSAVG: 2322200 0.70058 -6.22334 -7.83786 -6.22332 -40.5357 -18.5164 -7.83787 -18.5164 -16.3911 GPRESSAVG: 2322200 -1.86703 -7.4563 -7.53733 -5.29948 -38.7406 -19.1173 -6.58429 -19.2072 -15.2173 TIMING: 2322200 CPU: 7412.8, 0.00319829/step Wall: 7412.8, 0.0031983/step, 2.379 hours remaining, 240.242188 MB of memory in use. ENERGY: 2322200 3985.8412 20335.2527 14426.4590 261.0379 -203141.1585 2134.4017 0.0000 0.0000 51719.7853 -110278.3807 297.2343 -161998.1661 -109927.8746 297.6038 -10.6335 17.5005 761555.3397 -18.7421 -18.6083 PRESSURE: 2322400 -291.04 -171.404 -59.395 -171.405 -270.027 39.3603 -59.3953 39.3608 9.61956 GPRESSURE: 2322400 -290.597 -206.31 -45.1404 -195.321 -208.441 20.8079 -32.5342 -15.8315 20.3976 PRESSAVG: 2322400 6.4287 7.55071 -15.2696 7.55075 -16.7011 -17.494 -15.2696 -17.4939 23.7958 GPRESSAVG: 2322400 7.08691 8.27899 -14.7831 7.83525 -17.4291 -18.2212 -17.51 -16.983 24.1226 TIMING: 2322400 CPU: 7413.45, 0.00321077/step Wall: 7413.45, 0.00321076/step, 2.38809 hours remaining, 240.242188 MB of memory in use. ENERGY: 2322400 4006.1497 20356.2440 14533.5635 236.0932 -203440.0936 2533.2512 0.0000 0.0000 51746.7546 -110028.0374 297.3893 -161774.7920 -109673.0941 297.5265 -183.8158 -159.5469 761698.2991 4.5078 4.5935 PRESSURE: 2322600 -286.004 84.4117 -21.4163 84.4109 -23.5955 211.926 -21.4166 211.926 -94.3631 GPRESSURE: 2322600 -161.655 66.1806 -8.77083 42.4858 -112.855 104.083 -94.7259 -80.3862 -21.3876 PRESSAVG: 2322600 -40.9012 -7.66597 20.9604 -7.66599 -0.466441 -6.5455 20.9603 -6.54549 3.70625 GPRESSAVG: 2322600 -39.7513 -8.3872 21.1378 -9.65257 -0.209964 -5.98896 20.8085 -8.50239 3.32324 TIMING: 2322600 CPU: 7414.09, 0.00319692/step Wall: 7414.09, 0.00319692/step, 2.37762 hours remaining, 240.242188 MB of memory in use. ENERGY: 2322600 3888.1313 20403.6175 14403.1933 234.5006 -203731.1912 2715.6705 0.0000 0.0000 52069.0502 -110017.0278 299.2415 -162086.0780 -109659.1916 298.3610 -134.6543 -98.6326 761477.7714 -12.5538 -12.2127 PRESSURE: 2322800 -218.801 -86.7432 -25.8958 -86.7433 140.134 -3.19517 -25.8956 -3.19464 219.158 GPRESSURE: 2322800 -157.492 47.6302 27.6075 -107.787 153.42 81.3687 -198.936 66.7803 242.724 PRESSAVG: 2322800 -7.18297 28.1947 8.88948 28.1947 -0.571257 -4.42289 8.88949 -4.42288 -3.70549 GPRESSAVG: 2322800 -7.4514 28.3338 8.80735 29.4973 -0.955192 -4.0127 10.1053 -4.16791 -3.75481 TIMING: 2322800 CPU: 7414.72, 0.00317159/step Wall: 7414.72, 0.00317159/step, 2.3586 hours remaining, 240.242188 MB of memory in use. ENERGY: 2322800 3888.2212 20397.9633 14392.9074 243.0950 -203651.7281 2784.3961 0.0000 0.0000 51938.0185 -110007.1265 298.4885 -161945.1450 -109650.3687 298.1995 46.8304 79.5508 760305.7290 -3.8199 -4.0538 PRESSURE: 2323000 124.233 111.615 120.334 111.615 199.248 -354.67 120.335 -354.671 -133.085 GPRESSURE: 2323000 141.93 -26.8308 131.575 -48.4555 253.361 -299.452 58.3256 -224.577 -119.662 PRESSAVG: 2323000 38.7354 25.3756 20.2622 25.3755 -44.2616 -23.1903 20.2621 -23.1903 3.59906 GPRESSAVG: 2323000 38.568 24.3996 19.3693 27.2778 -44.8118 -23.5514 20.3227 -21.3309 4.09651 TIMING: 2323000 CPU: 7415.35, 0.00315883/step Wall: 7415.35, 0.00315883/step, 2.34894 hours remaining, 240.242188 MB of memory in use. ENERGY: 2323000 3976.2167 20390.0410 14394.9675 269.7822 -203539.9900 2468.1762 0.0000 0.0000 52050.7846 -109990.0219 299.1366 -162040.8065 -109624.3277 298.4014 63.4655 91.8764 759521.5383 -0.6424 -0.7158 PRESSURE: 2323200 -89.2987 -93.8744 80.7028 -93.8751 264.067 23.2757 80.7031 23.2737 -456.835 GPRESSURE: 2323200 -113.837 -125.103 114.629 -9.25253 378.279 70.9701 57.7725 35.4164 -487.393 PRESSAVG: 2323200 -23.4141 -8.97121 -20.5698 -8.97122 72.8652 34.4315 -20.5698 34.4316 12.5963 GPRESSAVG: 2323200 -23.5206 -9.90374 -20.5479 -9.45627 72.8421 33.3417 -20.8872 34.7162 12.6182 TIMING: 2323200 CPU: 7415.98, 0.00314957/step Wall: 7415.98, 0.00314957/step, 2.34188 hours remaining, 240.242188 MB of memory in use. ENERGY: 2323200 3921.3156 20394.9219 14476.3851 246.4808 -203750.3002 2687.7445 0.0000 0.0000 52173.5969 -109849.8555 299.8424 -162023.4524 -109481.6269 298.6168 -94.0222 -74.3171 759192.3384 20.6825 20.6466 PRESSURE: 2323400 -187.924 -80.2914 -38.9013 -80.2922 -102.14 -55.9179 -38.9007 -55.918 36.8843 GPRESSURE: 2323400 -158.386 -67.5015 -19.355 -133.253 -143.521 -178.794 -16.9332 9.25502 138.473 PRESSAVG: 2323400 -43.357 8.80955 -11.9849 8.80955 4.27779 -18.8846 -11.9849 -18.8845 -6.30447 GPRESSAVG: 2323400 -43.4922 12.9701 -11.1918 7.21603 4.78131 -18.3393 -12.1594 -18.9575 -6.67196 TIMING: 2323400 CPU: 7416.61, 0.00313282/step Wall: 7416.61, 0.00313282/step, 2.32925 hours remaining, 240.242188 MB of memory in use. ENERGY: 2323400 3933.3432 20579.9283 14507.3783 250.8258 -204154.7489 2982.4159 0.0000 0.0000 52063.7459 -109837.1115 299.2111 -161900.8574 -109484.1877 298.6097 -84.3932 -54.4780 759647.3455 -15.1279 -15.1276 PRESSURE: 2323600 51.0609 -13.0873 42.1701 -13.0884 -114.79 133.933 42.1707 133.933 -63.0814 GPRESSURE: 2323600 60.0137 -57.3118 85.7779 69.0593 -124.952 33.7734 7.89123 105.95 8.89827 PRESSAVG: 2323600 25.0257 0.0355038 -8.79989 0.0354918 -1.02471 9.6613 -8.79989 9.66136 -16.9512 GPRESSAVG: 2323600 24.6109 -1.41343 -7.89248 0.440658 -1.29012 10.1755 -9.32286 9.14643 -16.6228 TIMING: 2323600 CPU: 7417.24, 0.00317254/step Wall: 7417.24, 0.00317254/step, 2.35861 hours remaining, 240.242188 MB of memory in use. ENERGY: 2323600 3946.9897 20476.3866 14405.0135 259.6261 -203279.5473 2529.9008 0.0000 0.0000 51885.2358 -109776.3950 298.1852 -161661.6308 -109417.4684 298.7759 -42.2702 -18.6800 760554.6477 2.3499 2.2327 PRESSURE: 2323800 17.1939 59.5667 179.32 59.5664 -305.88 71.1049 179.32 71.105 158.974 GPRESSURE: 2323800 90.9018 53.3632 129.796 203.017 -307.017 44.112 240.425 103.204 162.113 PRESSAVG: 2323800 -29.371 44.8319 39.9513 44.832 -2.59585 -27.4506 39.9513 -27.4506 -21.5414 GPRESSAVG: 2323800 -28.8423 43.1404 38.3679 45.2034 -2.96534 -28.2849 39.6861 -27.6304 -22.3106 TIMING: 2323800 CPU: 7417.88, 0.00317154/step Wall: 7417.88, 0.00317155/step, 2.35769 hours remaining, 240.242188 MB of memory in use. ENERGY: 2323800 3931.8240 20421.8475 14441.0777 270.5911 -203176.2622 2357.4277 0.0000 0.0000 51961.6035 -109791.8907 298.6240 -161753.4942 -109429.3411 298.7814 -43.2372 -18.0005 762405.9421 -17.8361 -18.0394 PRESSURE: 2324000 -113.687 -127.042 182.626 -127.042 -64.6059 48.6558 182.626 48.6555 -325.964 GPRESSURE: 2324000 -113.567 -108.122 125.556 -110.126 -47.1181 4.55167 48.0505 166.285 -253.668 PRESSAVG: 2324000 1.84415 -30.363 -4.26893 -30.363 -33.1576 16.7497 -4.26886 16.7497 29.3219 GPRESSAVG: 2324000 1.8301 -29.2864 -3.00799 -30.6944 -33.0102 17.6354 -5.00218 17.9368 29.4708 TIMING: 2324000 CPU: 7418.51, 0.00314747/step Wall: 7418.51, 0.00314747/step, 2.33962 hours remaining, 240.242188 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: 2324000 3981.6588 20475.4473 14518.7254 251.0503 -203308.7927 2290.6118 0.0000 0.0000 51938.1559 -109853.1432 298.4893 -161791.2992 -109502.0299 299.0721 -168.0858 -138.1178 759082.5830 -0.6638 -0.5698 PRESSURE: 2324200 -166.678 -80.8357 -90.3373 -80.8356 -367.378 114.813 -90.3369 114.812 209.739 GPRESSURE: 2324200 -135.442 -17.9893 -48.5873 -123.027 -337.322 35.2399 -16.7442 54.3287 239.929 PRESSAVG: 2324200 10.2451 -12.5735 -16.6982 -12.5735 -1.92316 16.3658 -16.6982 16.3658 -9.72841 GPRESSAVG: 2324200 10.3588 -13.1647 -17.6673 -11.911 -1.51418 15.0342 -14.8955 15.5368 -9.18471 TIMING: 2324200 CPU: 7419.14, 0.00314277/step Wall: 7419.14, 0.00314277/step, 2.33595 hours remaining, 240.242188 MB of memory in use. ENERGY: 2324200 4049.8059 20324.4498 14494.8522 257.7774 -203336.7982 2643.5620 0.0000 0.0000 51641.7102 -109924.6406 296.7856 -161566.3508 -109573.0850 298.1813 -108.1057 -77.6114 760385.0548 -0.4688 -0.1134 LDB: ============= START OF LOAD BALANCING ============== 7431.59 LDB: ============== END OF LOAD BALANCING =============== 7431.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7431.59 LDB: ============= START OF LOAD BALANCING ============== 7431.9 LDB: Largest compute 7060 load 0.036073 is 18.5% of average load 0.195305 LDB: Average compute 0.004372 is 2.2% of average load 0.195305 LDB: TIME 7431.91 LOAD: AVG 0.195305 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 7431.91 LOAD: AVG 0.195305 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 7431.91 LOAD: AVG 0.195305 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 7431.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7431.91 PRESSURE: 2324400 -229.416 -163.63 161.852 -163.63 -74.4259 95.9649 161.851 95.9644 138.469 GPRESSURE: 2324400 -86.9413 -132.372 91.5277 -241.897 -55.015 -0.774834 107.939 23.4554 75.4579 PRESSAVG: 2324400 29.8012 -26.5045 -9.42534 -26.5046 -39.7573 21.9982 -9.42529 21.9982 -12.0082 GPRESSAVG: 2324400 29.7024 -27.0929 -9.0268 -27.0135 -38.3905 23.3167 -9.89458 21.498 -13.3576 TIMING: 2324400 CPU: 7419.78, 0.00321529/step Wall: 7419.78, 0.00321529/step, 2.38968 hours remaining, 241.578125 MB of memory in use. ENERGY: 2324400 3980.2593 20439.3463 14444.2233 244.6106 -203250.9208 2501.4914 0.0000 0.0000 51583.7502 -110057.2397 296.4525 -161640.9899 -109711.3189 298.1090 -55.1241 -22.1661 760536.7557 -7.3214 -7.3486 PRESSURE: 2324600 331.182 84.4165 -50.0355 84.4166 -17.5629 16.4552 -50.0344 16.4548 282.708 GPRESSURE: 2324600 438.225 105.614 -75.3811 58.9619 28.9135 -26.8429 91.9898 79.9117 207.515 PRESSAVG: 2324600 38.7222 -2.86306 19.5809 -2.86308 -67.0787 16.5714 19.5809 16.5715 10.6413 GPRESSAVG: 2324600 37.9502 -1.42752 16.9024 -3.02095 -68.4699 17.803 20.4974 17.1242 12.7699 TIMING: 2324600 CPU: 7420.41, 0.00315486/step Wall: 7420.41, 0.00315486/step, 2.34459 hours remaining, 241.648438 MB of memory in use. ENERGY: 2324600 3988.1386 20331.2461 14506.8528 261.0449 -203868.0266 2834.0931 0.0000 0.0000 52025.8280 -109920.8231 298.9931 -161946.6512 -109559.9213 298.3907 198.7757 224.8843 759260.7283 -5.9050 -5.9166 PRESSURE: 2324800 7.45782 148.262 86.5751 148.261 18.6778 -116.007 86.5757 -116.007 118.528 GPRESSURE: 2324800 64.2007 24.4629 12.1656 94.3073 29.6316 -88.7276 166.602 -130.449 120.497 PRESSAVG: 2324800 17.8923 16.1287 -12.1978 16.1288 -34.1367 -18.9645 -12.1978 -18.9646 6.91296 GPRESSAVG: 2324800 18.7632 13.3709 -8.76439 16.161 -34.9897 -21.1819 -12.3015 -16.8786 6.59132 TIMING: 2324800 CPU: 7421.04, 0.003147/step Wall: 7421.04, 0.003147/step, 2.33857 hours remaining, 241.648438 MB of memory in use. ENERGY: 2324800 4014.4872 20348.7187 14402.4478 222.9234 -203653.6773 2695.0218 0.0000 0.0000 51874.8362 -110095.2423 298.1254 -161970.0785 -109731.0506 298.3692 48.2212 71.4432 760534.2016 -3.1105 -3.2117 PRESSURE: 2325000 57.02 -140.557 57.604 -140.557 -24.6234 -118.35 57.6047 -118.35 291.357 GPRESSURE: 2325000 124.019 -155.939 108.783 -141.548 -92.7561 -135.557 -184.63 -97.0384 390.204 PRESSAVG: 2325000 43.3387 1.89394 38.6708 1.89393 -36.8072 -8.97808 38.6707 -8.97802 0.177604 GPRESSAVG: 2325000 43.2384 3.40879 37.967 -0.334895 -36.3589 -8.86125 35.1773 -12.538 0.203035 TIMING: 2325000 CPU: 7421.67, 0.00313493/step Wall: 7421.67, 0.00313493/step, 2.32943 hours remaining, 241.648438 MB of memory in use. ENERGY: 2325000 3981.3455 20423.0854 14374.3120 236.1500 -203674.9777 2724.3800 0.0000 0.0000 51801.2802 -110134.4246 297.7027 -161935.7048 -109779.5649 298.0516 107.9180 140.4890 760205.9492 2.2364 2.3608 PRESSURE: 2325200 76.4185 -95.0663 249.155 -95.066 395.595 85.229 249.155 85.2287 174.109 GPRESSURE: 2325200 17.2654 -56.1503 314.784 -61.5224 489.059 37.401 203.092 17.0623 224.432 PRESSAVG: 2325200 32.4749 -54.3553 52.4436 -54.3553 -66.0826 -27.9973 52.4436 -27.9973 -2.22296 GPRESSAVG: 2325200 33.0639 -54.6227 52.7239 -51.1864 -65.2546 -24.8887 56.1626 -28.1851 -3.45378 TIMING: 2325200 CPU: 7422.3, 0.0031816/step Wall: 7422.3, 0.0031816/step, 2.36393 hours remaining, 241.648438 MB of memory in use. ENERGY: 2325200 3914.1555 20366.7684 14404.5485 247.4022 -203752.4364 2985.8246 0.0000 0.0000 51768.0201 -110065.7172 297.5115 -161833.7373 -109701.9865 297.7394 215.3744 243.5854 759300.1716 -11.9436 -11.8815 PRESSURE: 2325400 -102.887 -18.6841 -278.318 -18.684 310.024 -347.153 -278.319 -347.152 105.33 GPRESSURE: 2325400 8.87986 26.1617 -276.796 -77.0546 309.366 -316.043 -236.506 -174.674 81.3156 PRESSAVG: 2325400 38.4838 1.27882 -10.5693 1.27885 -53.3087 15.3065 -10.5694 15.3064 -15.8932 GPRESSAVG: 2325400 38.5933 2.21173 -11.1857 -1.64724 -54.0405 13.1464 -11.1514 17.8383 -14.8082 TIMING: 2325400 CPU: 7422.95, 0.00322038/step Wall: 7422.95, 0.00322038/step, 2.39256 hours remaining, 241.648438 MB of memory in use. ENERGY: 2325400 3988.9523 20322.6951 14451.3469 239.0968 -203366.8896 2680.7745 0.0000 0.0000 51693.4361 -109990.5878 297.0829 -161684.0239 -109633.1153 297.5897 104.1559 133.1870 760823.5913 -10.2394 -10.0852 PRESSURE: 2325600 -24.598 16.6487 -99.7719 16.6488 -370.026 168.713 -99.772 168.713 128.531 GPRESSURE: 2325600 -6.66962 41.874 -159.666 -8.34427 -351.933 130.697 -5.43435 33.3553 181.29 PRESSAVG: 2325600 55.3294 -21.105 -39.1583 -21.1051 -47.5487 -3.35765 -39.1583 -3.3577 16.0642 GPRESSAVG: 2325600 55.8229 -20.1139 -39.65 -20.0476 -46.871 -3.52602 -39.419 -3.23348 14.8983 TIMING: 2325600 CPU: 7423.59, 0.00320834/step Wall: 7423.59, 0.00320834/step, 2.38344 hours remaining, 241.648438 MB of memory in use. ENERGY: 2325600 3903.3585 20545.3192 14401.6881 242.6215 -202864.7889 2171.8113 0.0000 0.0000 51805.5830 -109794.4074 297.7274 -161599.9904 -109445.8580 298.2467 -88.6978 -59.1041 761229.7434 7.9483 7.9501 PRESSURE: 2325800 -129.097 -101.972 117.278 -101.972 -319.116 -444.677 117.279 -444.678 -12.6217 GPRESSURE: 2325800 -182.418 -134.335 89.8695 -91.8773 -160.741 -467.61 281.929 -281.726 -25.154 PRESSAVG: 2325800 38.1793 -23.5021 22.9152 -23.5021 -60.3231 -13.0597 22.9151 -13.0596 -21.8185 GPRESSAVG: 2325800 37.4796 -25.7553 23.1477 -23.0451 -59.8674 -12.6471 22.2963 -12.5301 -21.818 TIMING: 2325800 CPU: 7424.24, 0.00325128/step Wall: 7424.24, 0.00325128/step, 2.41516 hours remaining, 241.648438 MB of memory in use. ENERGY: 2325800 4061.0288 20497.0590 14387.4997 232.3528 -203245.2571 2547.8619 0.0000 0.0000 51919.7980 -109599.6569 298.3838 -161519.4549 -109242.9382 298.4460 -153.6118 -122.7710 760734.4657 -14.6541 -14.7353 PRESSURE: 2326000 -188.887 29.4316 -133.108 29.4317 -376.442 -56.0357 -133.107 -56.0358 -479.652 GPRESSURE: 2326000 -121.941 208.488 -162.142 30.0118 -363.931 -66.6053 -157.186 -3.65814 -466.048 PRESSAVG: 2326000 43.2073 -7.71196 -5.88175 -7.71198 -37.8622 -14.3216 -5.8818 -14.3216 3.82087 GPRESSAVG: 2326000 42.4414 -6.44391 -5.4719 -8.40317 -37.8665 -13.9531 -5.88343 -16.4884 5.16292 TIMING: 2326000 CPU: 7424.88, 0.00320455/step Wall: 7424.88, 0.00320455/step, 2.38027 hours remaining, 241.648438 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: 2326000 3998.5991 20473.6154 14428.3755 244.4042 -202946.9767 2213.7103 0.0000 0.0000 52171.5976 -109416.6746 299.8309 -161588.2722 -109064.5335 298.9960 -348.3271 -317.3065 760647.3253 3.0553 3.2460 PRESSURE: 2326200 160.289 -145.066 -197.593 -145.066 124.051 29.4621 -197.592 29.4624 341.163 GPRESSURE: 2326200 223.375 33.9521 -208.382 -212.28 119.092 76.7679 -88.1954 78.5639 356.832 PRESSAVG: 2326200 -12.6046 -16.3105 -30.178 -16.3105 -20.2475 -20.4091 -30.1779 -20.4091 16.7678 GPRESSAVG: 2326200 -12.4502 -17.008 -29.6505 -15.6948 -19.6376 -21.178 -30.1938 -17.377 16.3875 TIMING: 2326200 CPU: 7425.51, 0.00317692/step Wall: 7425.51, 0.00317692/step, 2.35957 hours remaining, 241.648438 MB of memory in use. ENERGY: 2326200 3912.0639 20313.5291 14380.0199 249.3900 -203380.0979 2521.3270 0.0000 0.0000 52443.4464 -109560.3216 301.3932 -162003.7680 -109193.8980 299.1094 208.5010 233.0999 760240.0078 -5.3614 -5.2334 PRESSURE: 2326400 -88.5488 -145.141 -27.9369 -145.142 -72.7772 -20.8328 -27.9375 -20.8332 -106.853 GPRESSURE: 2326400 18.7746 -147.924 74.0995 -283.589 -27.8437 -13.9873 -91.74 -33.0975 -162.945 PRESSAVG: 2326400 46.3159 -28.4189 -31.827 -28.4189 -16.2362 -5.83946 -31.8271 -5.83942 19.2432 GPRESSAVG: 2326400 48.465 -29.0256 -32.4507 -30.1575 -18.2085 -5.50781 -30.5448 -6.56019 18.7471 TIMING: 2326400 CPU: 7426.15, 0.00316557/step Wall: 7426.15, 0.00316557/step, 2.35097 hours remaining, 241.648438 MB of memory in use. ENERGY: 2326400 4009.3370 20288.1169 14401.7568 258.6230 -203307.2104 2686.0883 0.0000 0.0000 51868.5199 -109794.7686 298.0891 -161663.2886 -109431.1029 298.8631 -89.3929 -57.3381 761021.3206 16.4410 16.3345 PRESSURE: 2326600 -213.048 -6.5418 -45.8203 -6.5415 -53.4863 -32.2986 -45.8195 -32.2984 -187.779 GPRESSURE: 2326600 -135.216 41.1247 -72.1665 38.6207 -87.2325 -133.075 -20.6648 3.97973 -140.482 PRESSAVG: 2326600 0.666626 -61.4063 9.59557 -61.4063 18.9093 -1.21875 9.59553 -1.21873 -7.71046 GPRESSAVG: 2326600 -0.228644 -59.8584 9.42232 -61.21 18.4471 -0.932983 11.6603 -0.998136 -6.49395 TIMING: 2326600 CPU: 7426.78, 0.0031685/step Wall: 7426.78, 0.0031685/step, 2.35296 hours remaining, 241.648438 MB of memory in use. ENERGY: 2326600 3934.2568 20369.8988 14360.3464 234.8383 -203161.2365 2424.9036 0.0000 0.0000 51996.5979 -109840.3948 298.8252 -161836.9927 -109478.0225 298.2619 -151.4380 -120.9769 761334.4664 3.9552 3.9082 PRESSURE: 2326800 -188.216 149.436 56.9323 149.435 -124.564 -266.905 56.9318 -266.905 -37.7168 GPRESSURE: 2326800 -157.38 163.871 -29.6803 140.364 -102.556 -258.335 4.47464 -250.581 -24.8645 PRESSAVG: 2326800 45.3322 -28.2067 9.89488 -28.2067 -47.2572 11.2197 9.89484 11.2196 17.9881 GPRESSAVG: 2326800 44.9199 -28.9624 10.818 -26.6421 -46.2478 10.8567 6.40717 8.75456 16.9324 TIMING: 2326800 CPU: 7427.41, 0.00316299/step Wall: 7427.41, 0.00316299/step, 2.3487 hours remaining, 241.648438 MB of memory in use. ENERGY: 2326800 3925.1178 20380.7536 14451.3553 239.9643 -203092.8045 2382.5659 0.0000 0.0000 52150.9651 -109562.0826 299.7123 -161713.0477 -109206.8565 298.8801 -116.8321 -94.9332 760665.3826 5.3543 5.2015 PRESSURE: 2327000 216.924 101.836 -3.6627 101.836 -314.658 78.6077 -3.66296 78.6067 3.82313 GPRESSURE: 2327000 245.52 167.322 10.7148 20.8272 -277.568 23.2701 -154.611 73.0902 19.4324 PRESSAVG: 2327000 29.0305 -37.354 -19.9249 -37.3541 -24.6884 -19.9577 -19.9249 -19.9577 5.22468 GPRESSAVG: 2327000 29.3158 -39.3442 -22.2877 -36.3171 -23.8797 -20.1548 -20.4868 -18.208 4.30001 TIMING: 2327000 CPU: 7428.05, 0.0031664/step Wall: 7428.05, 0.0031664/step, 2.35105 hours remaining, 241.648438 MB of memory in use. ENERGY: 2327000 4001.6334 20183.8635 14427.2180 236.7890 -203594.3830 2866.8751 0.0000 0.0000 52026.8131 -109851.1908 298.9988 -161878.0038 -109496.9435 298.1589 -31.3037 -4.2050 760859.1250 3.1889 3.2454 PRESSURE: 2327200 25.2374 -190.021 51.585 -190.021 -177.342 101.285 51.5839 101.285 24.6614 GPRESSURE: 2327200 60.5548 -120.645 55.7113 -159.647 -106.235 91.4303 2.15033 77.4635 21.8394 PRESSAVG: 2327200 116.557 -5.54334 8.10641 -5.54341 -93.3003 -34.8971 8.10643 -34.8971 -9.96763 GPRESSAVG: 2327200 115.828 -4.56838 10.3659 -6.40131 -93.3264 -34.3042 9.67934 -35.1915 -9.28021 TIMING: 2327200 CPU: 7428.68, 0.00316839/step Wall: 7428.68, 0.00316839/step, 2.35236 hours remaining, 241.648438 MB of memory in use. ENERGY: 2327200 4055.0812 20289.8114 14367.7886 253.1978 -203451.6408 3098.1546 0.0000 0.0000 51729.5397 -109658.0675 297.2904 -161387.6072 -109295.8077 298.8015 -42.4809 -7.9469 761226.0420 4.4297 4.4070 PRESSURE: 2327400 15.8102 79.1803 145.582 79.1801 -30.7599 24.8249 145.582 24.8248 41.3394 GPRESSURE: 2327400 52.9457 10.6556 94.3438 11.5303 -24.9171 -25.522 98.0954 -3.80685 95.5866 PRESSAVG: 2327400 41.4954 -40.4522 -11.2254 -40.4522 -38.6182 2.77361 -11.2254 2.77364 4.81014 GPRESSAVG: 2327400 41.0091 -39.64 -12.0043 -40.7232 -38.6735 2.55186 -11.7568 3.5041 4.90838 TIMING: 2327400 CPU: 7429.31, 0.00314751/step Wall: 7429.31, 0.00314751/step, 2.33668 hours remaining, 241.648438 MB of memory in use. ENERGY: 2327400 3987.2809 20490.6123 14383.5979 241.9375 -203032.1048 2463.2978 0.0000 0.0000 52012.1230 -109453.2554 298.9144 -161465.3784 -109093.5952 299.1091 8.7965 41.2051 760946.2793 2.5625 2.4146 PRESSURE: 2327600 26.0761 90.3212 174.552 90.3212 -119.756 47.7977 174.551 47.7978 -267.772 GPRESSURE: 2327600 34.4253 -52.6456 203.632 32.8845 -66.3646 107.679 175.073 14.6345 -243.48 PRESSAVG: 2327600 39.86 -43.6381 12.908 -43.6381 -26.9688 24.7825 12.908 24.7825 -6.87211 GPRESSAVG: 2327600 41.0164 -44.2479 12.8285 -44.6977 -28.4757 25.4286 12.5776 24.1984 -7.02651 TIMING: 2327600 CPU: 7429.94, 0.00316332/step Wall: 7429.94, 0.00316332/step, 2.34823 hours remaining, 241.648438 MB of memory in use. ENERGY: 2327600 3923.0451 20370.4134 14472.9466 251.2043 -203063.8539 2555.3860 0.0000 0.0000 52007.3238 -109483.5347 298.8868 -161490.8585 -109120.3126 299.5304 -120.4841 -91.8064 761522.7161 2.0064 1.8381 PRESSURE: 2327800 148.162 -95.5982 -25.1133 -95.5968 31.9689 -82.5466 -25.1124 -82.5466 -132.333 GPRESSURE: 2327800 169.228 -161.86 -72.4123 -95.0815 7.53466 -84.3444 -87.9786 -102.318 -28.7151 PRESSAVG: 2327800 31.4698 2.68802 -14.6295 2.68803 -9.85126 15.1672 -14.6295 15.1671 13.9124 GPRESSAVG: 2327800 30.8255 1.18241 -14.5848 4.75689 -8.75205 14.5724 -13.69 15.8384 13.8055 TIMING: 2327800 CPU: 7430.58, 0.00317942/step Wall: 7430.58, 0.00317942/step, 2.36002 hours remaining, 241.648438 MB of memory in use. ENERGY: 2327800 3934.2806 20375.0565 14479.3777 239.6184 -203010.9924 2600.3283 0.0000 0.0000 51974.0450 -109408.2859 298.6956 -161382.3309 -109048.0567 299.5060 15.9328 49.3494 760737.1964 11.8437 11.9597 PRESSURE: 2328000 19.2852 -33.1773 60.0368 -33.1776 -137.837 303.386 60.0369 303.386 -91.5807 GPRESSURE: 2328000 6.75499 -42.6546 154.367 -184.041 -70.6594 358.542 -65.0669 157.359 -44.6647 PRESSAVG: 2328000 20.725 -36.9423 32.7645 -36.9422 -40.8227 81.3432 32.7645 81.3432 -16.1116 GPRESSAVG: 2328000 19.598 -33.1729 32.2889 -39.1845 -40.5224 81.6243 30.9837 81.8674 -15.5005 TIMING: 2328000 CPU: 7431.23, 0.00324754/step Wall: 7431.23, 0.00324754/step, 2.41039 hours remaining, 241.648438 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: 2328000 4001.2633 20643.7811 14473.2557 268.4524 -203053.2443 2494.6015 0.0000 0.0000 51693.6031 -109478.2873 297.0838 -161171.8904 -109126.8215 299.4442 -70.0441 -36.1897 763073.0600 -12.0698 -12.1417 PRESSURE: 2328200 -74.6654 193.05 46.6049 193.05 227.39 26.6159 46.6061 26.6159 36.2039 GPRESSURE: 2328200 -18.8326 132.185 50.018 58.6534 326.877 -12.1308 -87.7433 81.4693 -42.1151 PRESSAVG: 2328200 15.9021 -49.9595 -65.4149 -49.9595 -11.5352 48.9827 -65.4149 48.9827 20.2353 GPRESSAVG: 2328200 17.5717 -53.286 -65.8309 -47.3319 -12.351 48.2685 -63.9404 47.9068 19.5923 TIMING: 2328200 CPU: 7431.86, 0.00318076/step Wall: 7431.86, 0.00318076/step, 2.36065 hours remaining, 241.648438 MB of memory in use. ENERGY: 2328200 3962.6718 20440.4732 14430.9772 233.4114 -203480.7576 2866.4389 0.0000 0.0000 51964.2305 -109582.5546 298.6391 -161546.7851 -109233.5154 298.9039 62.9762 88.6431 761494.6202 8.2007 8.2710 LDB: ============= START OF LOAD BALANCING ============== 7444.32 LDB: ============== END OF LOAD BALANCING =============== 7444.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.32 LDB: ============= START OF LOAD BALANCING ============== 7444.64 LDB: Largest compute 7031 load 0.035247 is 18.1% of average load 0.195270 LDB: Average compute 0.004392 is 2.2% of average load 0.195270 LDB: TIME 7444.65 LOAD: AVG 0.19527 MAX 0.212317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 7444.65 LOAD: AVG 0.19527 MAX 0.212317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: TIME 7444.65 LOAD: AVG 0.19527 MAX 0.212317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: ============== END OF LOAD BALANCING =============== 7444.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.66 PRESSURE: 2328400 -96.9214 -232.614 -47.6257 -232.614 -14.4825 38.6854 -47.6244 38.6836 329.908 GPRESSURE: 2328400 -187.733 -185.039 14.1769 -184.028 74.1581 23.2324 -180.13 107.073 416.647 PRESSAVG: 2328400 -61.1256 -58.2277 6.58268 -58.2278 87.9108 42.2463 6.58261 42.2463 -3.3954 GPRESSAVG: 2328400 -62.917 -57.417 7.47238 -59.3112 88.2808 42.6329 4.7392 40.84 -2.21769 TIMING: 2328400 CPU: 7432.52, 0.00327227/step Wall: 7432.52, 0.00327227/step, 2.42839 hours remaining, 241.320312 MB of memory in use. ENERGY: 2328400 4008.6380 20454.6904 14419.0957 216.3112 -203466.7060 2792.2602 0.0000 0.0000 51911.1133 -109664.5973 298.3339 -161575.7105 -109300.0672 298.7474 72.8348 101.0242 761838.8104 7.7966 7.7154 PRESSURE: 2328600 354.122 -104.237 -111.244 -104.239 -2.34777 -283.286 -111.243 -283.287 -175.059 GPRESSURE: 2328600 398.169 -186.4 -139.911 -166.019 23.3993 -263.97 -66.0955 -204.832 -176.796 PRESSAVG: 2328600 46.6544 -85.7391 2.1503 -85.7391 -14.0705 -4.66443 2.15037 -4.66444 2.7899 GPRESSAVG: 2328600 47.3869 -86.6299 0.925821 -86.4376 -15.3894 -3.128 4.27547 -0.791685 3.12983 TIMING: 2328600 CPU: 7433.16, 0.00321163/step Wall: 7433.16, 0.00321163/step, 2.38321 hours remaining, 241.320312 MB of memory in use. ENERGY: 2328600 4036.2378 20379.7052 14469.2107 232.3625 -203334.7024 2580.0943 0.0000 0.0000 51896.3558 -109740.7362 298.2491 -161637.0920 -109375.0401 298.6465 58.9048 81.5907 761437.2360 11.7913 11.7091 PRESSURE: 2328800 210.521 25.7437 28.4669 25.7426 157.447 236.668 28.4676 236.668 -313.703 GPRESSURE: 2328800 127.821 89.3844 -61.5974 138.923 242.036 273.056 -82.8838 127.8 -230.123 PRESSAVG: 2328800 17.2066 -94.4462 15.1788 -94.4463 -39.027 13.2947 15.1787 13.2947 -24.1121 GPRESSAVG: 2328800 17.9899 -94.28 15.7066 -94.0679 -38.7599 11.8618 13.2383 12.1774 -24.7424 TIMING: 2328800 CPU: 7433.8, 0.00319373/step Wall: 7433.8, 0.00319373/step, 2.36975 hours remaining, 241.320312 MB of memory in use. ENERGY: 2328800 3960.1034 20387.2405 14452.7385 243.9670 -203582.2889 2617.9671 0.0000 0.0000 52142.8651 -109777.4072 299.6658 -161920.2723 -109411.6548 298.7608 18.0885 46.5782 760365.9001 -15.3108 -15.1708 PRESSURE: 2329000 220.903 43.1257 -12.1 43.1249 -94.8971 -231.514 -12.0998 -231.515 -200.224 GPRESSURE: 2329000 264.363 -29.79 -71.1634 -3.24866 -36.1177 -235.444 25.758 -123.341 -233.489 PRESSAVG: 2329000 -27.5939 -35.9605 -41.9157 -35.9605 26.38 -17.9479 -41.9158 -17.9479 17.6073 GPRESSAVG: 2329000 -28.6867 -35.9222 -43.6615 -36.1281 26.6586 -18.8289 -38.0423 -18.1938 18.0707 TIMING: 2329000 CPU: 7434.44, 0.00320727/step Wall: 7434.44, 0.00320727/step, 2.37962 hours remaining, 241.320312 MB of memory in use. ENERGY: 2329000 4021.5789 20511.0463 14430.1796 245.6398 -203398.8882 2571.4930 0.0000 0.0000 51914.9830 -109703.9675 298.3561 -161618.9505 -109344.4635 299.0556 -24.7392 -1.7479 761870.2961 5.4645 5.3476 PRESSURE: 2329200 -63.0123 -207.676 -83.8908 -207.676 -356.244 -116.62 -83.8912 -116.62 284.892 GPRESSURE: 2329200 -105.247 -272.202 -85.8097 -253.542 -271.899 -177.372 90.657 -169.267 308.369 PRESSAVG: 2329200 52.0617 -43.2643 10.7603 -43.2643 -25.5233 0.020574 10.7602 0.020613 -21.4448 GPRESSAVG: 2329200 52.2429 -43.2278 13.1396 -43.1255 -24.0382 0.580248 8.53638 -2.39683 -23.1633 TIMING: 2329200 CPU: 7435.09, 0.00323135/step Wall: 7435.09, 0.00323135/step, 2.3973 hours remaining, 241.320312 MB of memory in use. ENERGY: 2329200 4071.0417 20560.8239 14398.8397 247.7232 -203699.1396 2770.8704 0.0000 0.0000 52023.8203 -109626.0203 298.9816 -161649.8406 -109269.0225 299.1235 -44.7879 -22.9258 761807.0708 1.6979 1.6804 PRESSURE: 2329400 -159.532 -214.682 -177.591 -214.682 19.581 420.678 -177.591 420.678 -291.187 GPRESSURE: 2329400 -161.116 -203.526 -171.622 -256.536 41.1663 274.56 -85.3966 317.865 -217.672 PRESSAVG: 2329400 -3.08146 -63.5541 -3.68083 -63.5541 -4.36816 -30.0075 -3.6808 -30.0074 -7.95453 GPRESSAVG: 2329400 -4.71259 -64.1884 -5.91418 -64.6058 -4.72124 -29.6805 -2.80822 -30.1363 -5.73725 TIMING: 2329400 CPU: 7435.73, 0.00320467/step Wall: 7435.73, 0.00320467/step, 2.37733 hours remaining, 241.320312 MB of memory in use. ENERGY: 2329400 4025.7170 20514.2714 14454.0104 255.8287 -203629.4982 2725.4454 0.0000 0.0000 52034.4135 -109619.8118 299.0425 -161654.2253 -109257.4505 299.2483 -143.7128 -112.5403 761043.9435 -5.1347 -5.0570 PRESSURE: 2329600 -319.105 135.869 19.0344 135.87 -221.922 26.9359 19.0342 26.9365 17.291 GPRESSURE: 2329600 -244.939 53.0315 24.3199 164.601 -209.623 30.6556 27.4624 -57.7898 12.2351 PRESSAVG: 2329600 -0.0221097 -57.9816 15.24 -57.9816 -10.4197 33.0367 15.2401 33.0368 12.8905 GPRESSAVG: 2329600 0.931766 -58.9123 16.4382 -57.5787 -10.8252 32.0268 16.3523 34.9945 11.8157 TIMING: 2329600 CPU: 7436.37, 0.00319534/step Wall: 7436.37, 0.00319534/step, 2.37023 hours remaining, 241.320312 MB of memory in use. ENERGY: 2329600 4046.7731 20594.3710 14496.7927 231.3432 -203755.1639 2742.7076 0.0000 0.0000 51938.9131 -109704.2632 298.4936 -161643.1763 -109346.0080 299.3823 -174.5786 -147.4425 762683.7411 0.8162 0.6408 PRESSURE: 2329800 182.024 83.8326 26.1509 83.8335 28.827 3.7421 26.151 3.74107 -104.285 GPRESSURE: 2329800 177.225 113.88 37.9051 75.872 50.8382 -40.745 -60.2729 -27.1257 -51.741 PRESSAVG: 2329800 -32.3312 -38.6453 -9.33759 -38.6454 8.26574 -13.7254 -9.3376 -13.7254 30.7392 GPRESSAVG: 2329800 -32.4979 -35.3229 -8.49457 -39.2533 8.16922 -11.4817 -12.1478 -15.0333 31.1449 TIMING: 2329800 CPU: 7437, 0.00315935/step Wall: 7437, 0.00315935/step, 2.34336 hours remaining, 241.320312 MB of memory in use. ENERGY: 2329800 3983.9444 20427.2078 14445.2975 245.8495 -204274.7768 3013.6908 0.0000 0.0000 52016.0400 -110142.7469 298.9369 -162158.7868 -109776.6763 298.4555 35.5220 58.7741 760340.7238 2.2246 2.2721 PRESSURE: 2330000 116.291 38.3632 75.3955 38.3628 -282.199 -370.017 75.3958 -370.017 15.6772 GPRESSURE: 2330000 147.073 90.4103 103.17 -104.747 -279.036 -313.781 58.5317 -212.29 68.2262 PRESSAVG: 2330000 51.7396 -25.0574 23.7006 -25.0574 -36.627 -28.4799 23.7006 -28.48 11.8894 GPRESSAVG: 2330000 51.5984 -26.0278 21.699 -25.5149 -36.2016 -31.0474 23.5152 -27.4814 11.9394 TIMING: 2330000 CPU: 7437.64, 0.00317952/step Wall: 7437.64, 0.00317952/step, 2.35814 hours remaining, 241.320312 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: 2330000 3962.9056 20406.8117 14458.7377 261.5674 -203866.8464 2557.7100 0.0000 0.0000 52089.0745 -110130.0395 299.3566 -162219.1140 -109766.5532 298.3400 -50.0770 -21.2455 762275.7905 9.0007 9.1121 PRESSURE: 2330200 -211.71 -61.7602 -16.286 -61.761 346.727 297.874 -16.286 297.873 173.907 GPRESSURE: 2330200 -40.2659 11.1115 -42.1505 9.5607 247.764 272.769 100.117 160.77 188.048 PRESSAVG: 2330200 -5.26782 -16.1739 15.5015 -16.1739 -3.32313 -7.70314 15.5015 -7.70317 -7.31072 GPRESSAVG: 2330200 -3.9817 -16.5613 16.2255 -14.3919 -4.68438 -7.12704 16.6398 -8.29369 -6.87266 TIMING: 2330200 CPU: 7438.27, 0.00317539/step Wall: 7438.27, 0.00317539/step, 2.3549 hours remaining, 241.320312 MB of memory in use. ENERGY: 2330200 3901.8809 20508.6743 14471.2426 237.2528 -204042.9057 2889.1056 0.0000 0.0000 52000.0289 -110034.7206 298.8449 -162034.7496 -109673.3462 298.4550 102.9746 131.8487 760169.5528 -5.3006 -5.1796 PRESSURE: 2330400 40.6585 -20.5842 158.424 -20.584 -24.0575 -186.636 158.424 -186.636 39.2721 GPRESSURE: 2330400 141.027 -109.933 137.761 16.1878 13.4637 -244.081 174.098 -29.2549 -11.885 PRESSAVG: 2330400 8.49249 1.55372 3.52132 1.55366 28.4929 29.1754 3.52133 29.1754 -7.1679 GPRESSAVG: 2330400 8.08364 1.03234 4.66763 1.53959 29.5267 29.7384 3.64154 28.1844 -7.71025 TIMING: 2330400 CPU: 7438.91, 0.00319386/step Wall: 7438.91, 0.00319386/step, 2.36843 hours remaining, 241.320312 MB of memory in use. ENERGY: 2330400 3953.2607 20457.6137 14453.7680 250.7713 -203916.1437 2801.9808 0.0000 0.0000 51889.7124 -110109.0368 298.2109 -161998.7492 -109745.6758 298.1180 18.6243 47.5352 760443.3647 9.9392 9.9667 PRESSURE: 2330600 83.3767 -135.734 -5.41471 -135.734 -138.361 165.929 -5.41437 165.929 230.33 GPRESSURE: 2330600 71.7328 -15.2659 -14.9788 -163.075 -156.208 113.743 90.1568 125.238 344.103 PRESSAVG: 2330600 -30.627 41.2106 -21.2477 41.2106 30.5933 19.474 -21.2477 19.4739 14.3653 GPRESSAVG: 2330600 -31.7297 41.6089 -22.1599 41.1812 29.5039 19.9349 -22.9192 20.3267 16.0366 TIMING: 2330600 CPU: 7439.55, 0.00319678/step Wall: 7439.55, 0.00319678/step, 2.37042 hours remaining, 241.320312 MB of memory in use. ENERGY: 2330600 4000.4579 20467.6672 14462.5702 240.3451 -204049.8143 2872.4301 0.0000 0.0000 51981.3746 -110024.9693 298.7377 -162006.3439 -109662.3438 298.5437 58.4485 86.5423 759228.5954 4.7772 4.6036 PRESSURE: 2330800 -204.425 -170.565 -1.39258 -170.564 -534.647 35.6814 -1.39332 35.6816 -13.0392 GPRESSURE: 2330800 -72.0253 -43.0956 -13.3604 -35.0491 -430.057 22.4855 154.165 -4.23697 -148.096 PRESSAVG: 2330800 17.0476 -64.7752 10.3718 -64.7752 15.7052 -56.7969 10.3718 -56.7969 8.20598 GPRESSAVG: 2330800 17.3446 -62.8002 11.1245 -64.471 17.9383 -57.4138 12.5096 -56.8737 6.18257 TIMING: 2330800 CPU: 7440.19, 0.00319123/step Wall: 7440.19, 0.00319124/step, 2.36612 hours remaining, 241.320312 MB of memory in use. ENERGY: 2330800 3878.3023 20497.6013 14443.1129 251.4146 -203414.9818 2203.2031 0.0000 0.0000 52083.2675 -110058.0802 299.3233 -162141.3477 -109697.4595 298.6113 -250.7037 -216.7260 760640.6381 13.6529 13.8218 PRESSURE: 2331000 142.623 75.7019 55.9854 75.7019 -106.405 -49.007 55.9854 -49.0066 -119.026 GPRESSURE: 2331000 135.668 -2.59137 16.69 32.1537 -15.9594 -104.261 -15.4903 25.0973 -123.984 PRESSAVG: 2331000 22.1503 -0.245314 -3.00702 -0.245316 -31.9043 -0.419814 -3.00705 -0.419779 -2.99283 GPRESSAVG: 2331000 22.4566 -2.14786 -3.06944 -1.50484 -33.8361 -0.21265 -4.25853 -0.412298 -1.99233 TIMING: 2331000 CPU: 7440.82, 0.00317443/step Wall: 7440.82, 0.00317443/step, 2.35349 hours remaining, 241.320312 MB of memory in use. ENERGY: 2331000 3994.6319 20371.9356 14487.7162 258.3713 -203359.0094 2467.1257 0.0000 0.0000 51680.0335 -110099.1953 297.0059 -161779.2288 -109729.6496 298.0644 -27.6026 -1.4251 761585.7278 -4.2489 -4.4573 PRESSURE: 2331200 -1.54297 -51.9859 142.228 -51.986 176.714 -56.2963 142.229 -56.2955 35.0986 GPRESSURE: 2331200 50.6717 -61.2167 59.8048 -3.46323 205.551 -69.3888 161.645 -67.4108 39.0909 PRESSAVG: 2331200 18.1979 50.286 48.7108 50.2861 -4.83017 -0.915471 48.7107 -0.915446 10.5418 GPRESSAVG: 2331200 18.6928 53.0931 47.4344 50.6394 -4.86478 0.548102 45.5758 -2.34721 10.0096 TIMING: 2331200 CPU: 7441.46, 0.00320481/step Wall: 7441.46, 0.00320481/step, 2.37583 hours remaining, 241.320312 MB of memory in use. ENERGY: 2331200 3952.1821 20462.6994 14423.8291 238.0278 -203754.8174 2792.4815 0.0000 0.0000 51954.5948 -109931.0026 298.5838 -161885.5974 -109576.6236 298.7733 70.0899 98.4380 759725.3903 7.9698 7.9459 PRESSURE: 2331400 477.684 30.6646 9.16188 30.6644 68.4232 -0.742826 9.16235 -0.741949 173.582 GPRESSURE: 2331400 582.281 44.2725 18.3127 9.28605 85.7397 -28.6138 88.246 46.4625 130.142 PRESSAVG: 2331400 19.3554 -48.5453 35.5783 -48.5452 5.51977 -54.5292 35.5783 -54.5292 0.640579 GPRESSAVG: 2331400 19.5639 -49.1923 35.9816 -48.7627 4.90783 -56.2277 39.3707 -53.7106 1.50176 TIMING: 2331400 CPU: 7442.1, 0.00316537/step Wall: 7442.1, 0.00316537/step, 2.34642 hours remaining, 241.320312 MB of memory in use. ENERGY: 2331400 3902.0701 20485.7049 14391.8894 240.5878 -203770.5099 2836.9467 0.0000 0.0000 52109.4169 -109803.8943 299.4735 -161913.3112 -109436.6156 298.5185 239.8964 266.0544 760711.7643 8.5053 8.6578 PRESSURE: 2331600 212.021 -135.106 120.97 -135.106 -183.741 -244.858 120.971 -244.858 -88.8751 GPRESSURE: 2331600 270.566 -116.417 180.05 -80.9028 -114.809 -88.4934 29.5971 -228.338 -148.218 PRESSAVG: 2331600 16.2675 -59.2038 9.26575 -59.2037 -5.90264 -29.2872 9.26579 -29.2872 -2.48674 GPRESSAVG: 2331600 16.5789 -60.6535 9.80991 -58.019 -5.50164 -28.0044 9.5185 -28.8769 -3.53512 TIMING: 2331600 CPU: 7442.72, 0.00314292/step Wall: 7442.72, 0.00314292/step, 2.3296 hours remaining, 241.320312 MB of memory in use. ENERGY: 2331600 4041.6368 20334.0479 14412.6899 262.2088 -203700.5082 2787.3670 0.0000 0.0000 51811.2723 -110051.2855 297.7601 -161862.5579 -109692.4746 298.5743 -20.1984 2.5128 760005.0046 2.6260 2.5140 PRESSURE: 2331800 7.77584 -30.6224 -13.5054 -30.6224 118.578 410.284 -13.5056 410.284 188.258 GPRESSURE: 2331800 28.9561 -8.68452 4.07197 -77.7368 154.852 393.734 76.4379 316.628 215.24 PRESSAVG: 2331800 7.20025 13.9425 21.8298 13.9425 28.3993 38.6618 21.8298 38.6619 16.4236 GPRESSAVG: 2331800 5.18858 14.1592 21.8109 12.6842 28.7289 38.8653 21.9536 35.2222 18.6837 TIMING: 2331800 CPU: 7443.36, 0.0031746/step Wall: 7443.36, 0.0031746/step, 2.35291 hours remaining, 241.320312 MB of memory in use. ENERGY: 2331800 3983.3751 20390.3557 14413.6021 236.2432 -203957.4175 2934.8879 0.0000 0.0000 51906.3822 -110092.5714 298.3067 -161998.9535 -109726.0854 298.6304 104.8708 133.0158 760224.9795 17.3411 17.5337 PRESSURE: 2332000 -219.351 7.81157 229.705 7.81248 -191.064 229.989 229.704 229.989 -53.5886 GPRESSURE: 2332000 -168.633 -170.337 226.665 -55.4975 -164.672 253.692 162.401 241.874 -44.5365 PRESSAVG: 2332000 -2.15118 -32.9839 11.0411 -32.9838 4.33994 -23.4534 11.0411 -23.4533 -38.0853 GPRESSAVG: 2332000 0.780967 -32.8791 11.4249 -32.529 2.89773 -24.7581 10.1143 -18.7872 -39.5826 TIMING: 2332000 CPU: 7443.99, 0.00316127/step Wall: 7443.99, 0.00316127/step, 2.34285 hours remaining, 241.320312 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: 2332000 3942.4668 20477.0290 14453.7615 232.1697 -203490.3818 2540.9518 0.0000 0.0000 51685.3855 -110158.6175 297.0366 -161844.0030 -109788.2724 298.1663 -154.6679 -125.9471 759942.4278 -11.9655 -11.9680 PRESSURE: 2332200 -37.3393 -69.3442 114.061 -69.344 138.297 47.1659 114.06 47.1664 77.9099 GPRESSURE: 2332200 -97.5229 -139.901 93.8227 -43.6465 203.747 36.0659 140.564 106.891 146.615 PRESSAVG: 2332200 36.4631 -36.789 29.6992 -36.789 -5.285 24.3856 29.6993 24.3858 -15.8836 GPRESSAVG: 2332200 35.2057 -37.0901 28.5343 -36.0612 -3.94543 24.1806 30.5211 22.7089 -16.5184 TIMING: 2332200 CPU: 7444.63, 0.00318274/step Wall: 7444.63, 0.00318274/step, 2.35859 hours remaining, 241.320312 MB of memory in use. ENERGY: 2332200 3952.5033 20509.0873 14442.3240 247.8107 -203831.8236 2866.9446 0.0000 0.0000 51705.0591 -110108.0945 297.1497 -161813.1537 -109745.8147 298.2412 59.6224 84.2796 760280.2197 5.0982 4.9139 LDB: ============= START OF LOAD BALANCING ============== 7457.09 LDB: ============== END OF LOAD BALANCING =============== 7457.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.09 LDB: ============= START OF LOAD BALANCING ============== 7457.41 LDB: Largest compute 7075 load 0.034145 is 17.5% of average load 0.195288 LDB: Average compute 0.004407 is 2.3% of average load 0.195288 LDB: TIME 7457.41 LOAD: AVG 0.195288 MAX 0.212149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 7457.41 LOAD: AVG 0.195288 MAX 0.212149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 7457.41 LOAD: AVG 0.195288 MAX 0.212149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 7457.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.42 PRESSURE: 2332400 -25.7935 76.6541 4.05458 76.6551 -73.0537 -86.9576 4.05554 -86.9583 58.2582 GPRESSURE: 2332400 -48.0281 40.3772 -88.9947 129.403 19.8329 -50.3124 36.1817 -169.398 79.8711 PRESSAVG: 2332400 -68.325 -31.1613 -4.0615 -31.1614 65.0493 -7.31545 -4.06148 -7.31545 19.4698 GPRESSAVG: 2332400 -68.5834 -29.9037 -5.20497 -32.6024 64.5369 -6.25009 -2.34108 -7.33074 20.4885 TIMING: 2332400 CPU: 7445.29, 0.00328262/step Wall: 7445.29, 0.00328262/step, 2.43242 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332400 3975.2702 20524.2870 14355.2377 245.7548 -203610.8945 2613.4736 0.0000 0.0000 52088.5505 -109808.3207 299.3536 -161896.8712 -109442.8272 298.7273 -13.5297 17.2253 761619.5405 5.3981 5.4807 PRESSURE: 2332600 125.765 134.691 -51.2932 134.691 78.5555 181.909 -51.2929 181.908 -374.572 GPRESSURE: 2332600 82.43 121.494 -65.693 193.704 175.465 219.699 -151.613 222.337 -319.653 PRESSAVG: 2332600 -41.1354 -65.1143 -22.8182 -65.1144 45.8952 7.82946 -22.8182 7.82947 4.3123 GPRESSAVG: 2332600 -41.66 -65.9146 -20.4138 -65.6759 46.8259 6.63948 -22.7828 8.92797 3.78768 TIMING: 2332600 CPU: 7445.92, 0.0031953/step Wall: 7445.92, 0.0031953/step, 2.36754 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332600 3995.8212 20432.3714 14395.1880 249.4789 -203838.3069 2923.5781 0.0000 0.0000 51912.0281 -109929.8412 298.3391 -161841.8693 -109559.7652 298.3622 -56.7507 -20.5862 760880.3313 3.0240 2.9845 PRESSURE: 2332800 219.257 -31.6856 69.8461 -31.6848 135.232 -139.132 69.8459 -139.132 -45.9481 GPRESSURE: 2332800 182.471 -75.4384 146.789 -54.0851 148.566 -69.6244 46.6717 -158.983 57.6014 PRESSAVG: 2332800 -39.4641 -83.4546 32.2339 -83.4546 13.8101 16.2382 32.2339 16.2382 11.4197 GPRESSAVG: 2332800 -39.3637 -81.7658 31.4785 -82.807 14.6941 17.6659 28.5076 15.0287 10.679 TIMING: 2332800 CPU: 7446.56, 0.00319882/step Wall: 7446.56, 0.00319882/step, 2.36997 hours remaining, 239.894531 MB of memory in use. ENERGY: 2332800 3960.5034 20582.7601 14446.0807 216.2780 -203823.7841 2529.3568 0.0000 0.0000 52208.9635 -109879.8416 300.0456 -162088.8051 -109510.5971 298.6361 102.8471 129.5461 759182.7153 -4.7448 -4.6635 PRESSURE: 2333000 -120.518 151.942 127.02 151.943 -36.9311 6.65071 127.02 6.65069 -422.969 GPRESSURE: 2333000 -16.4801 45.2788 85.2657 109.552 -129.216 -25.2708 305.766 131.763 -340.277 PRESSAVG: 2333000 37.0904 16.383 -10.1283 16.383 9.27863 7.24918 -10.1283 7.24913 -5.35321 GPRESSAVG: 2333000 38.1092 13.6527 -9.47951 15.9917 8.11139 4.70174 -10.2669 7.846 -5.32908 TIMING: 2333000 CPU: 7447.2, 0.00318079/step Wall: 7447.2, 0.00318079/step, 2.35643 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333000 3959.8358 20622.0360 14480.4241 249.0198 -203544.5370 2357.0922 0.0000 0.0000 52137.5266 -109738.6025 299.6351 -161876.1291 -109382.7028 298.7353 -193.4725 -161.9910 761083.0383 13.6719 13.6305 PRESSURE: 2333200 -322.35 -131.109 140.2 -131.109 177.068 -204.527 140.201 -204.528 -128.797 GPRESSURE: 2333200 -236.433 -73.7082 167.164 -49.7185 184.352 -221.321 79.4426 -191.731 -134.684 PRESSAVG: 2333200 43.1056 -31.2117 16.7735 -31.2117 -8.73698 -41.5303 16.7735 -41.5303 -9.40469 GPRESSAVG: 2333200 42.1049 -30.1636 17.0813 -29.9322 -9.00175 -40.2535 17.5912 -41.1092 -7.92495 TIMING: 2333200 CPU: 7447.84, 0.00317778/step Wall: 7447.84, 0.00317778/step, 2.35403 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333200 3955.6069 20499.3799 14532.8820 239.2332 -203742.0572 2658.7524 0.0000 0.0000 52017.3575 -109838.8453 298.9445 -161856.2028 -109479.1230 299.3917 -91.3596 -62.2550 759194.0272 8.3213 8.3927 PRESSURE: 2333400 -256.517 -203.206 13.0608 -203.206 56.1134 80.0016 13.0611 80.0029 -126.045 GPRESSURE: 2333400 -190.721 -196.305 -19.161 -183.975 49.8692 66.9433 57.3414 84.4521 -115.282 PRESSAVG: 2333400 -25.2433 -47.4016 25.3063 -47.4016 -27.9667 -19.7652 25.3063 -19.7653 30.9553 GPRESSAVG: 2333400 -24.3704 -47.6249 24.3873 -47.857 -27.6375 -19.2328 27.4083 -20.9301 29.6152 TIMING: 2333400 CPU: 7448.47, 0.00317913/step Wall: 7448.47, 0.00317913/step, 2.35485 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333400 4065.1437 20451.8200 14439.1173 240.6070 -203619.6482 2631.2142 0.0000 0.0000 51985.8846 -109805.8613 298.7636 -161791.7459 -109440.8677 298.8191 -108.8163 -85.3781 761054.5023 -7.4182 -7.4643 PRESSURE: 2333600 -146.609 199.3 -29.9854 199.3 -97.9288 -74.5595 -29.9854 -74.5596 -202.629 GPRESSURE: 2333600 -179.854 183.017 -16.8594 140.794 -41.5887 -80.657 -169.901 -63.4683 -143.452 PRESSAVG: 2333600 -74.7723 -11.7406 -13.2749 -11.7406 31.6311 11.4279 -13.2749 11.4279 -1.41052 GPRESSAVG: 2333600 -74.9182 -9.34372 -13.8731 -13.2301 31.2605 9.98377 -14.4431 11.7118 -0.952635 TIMING: 2333600 CPU: 7449.11, 0.00319341/step Wall: 7449.11, 0.00319341/step, 2.36525 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333600 3965.5115 20488.7973 14384.1792 238.0305 -203394.0280 2597.6487 0.0000 0.0000 52086.6253 -109633.2354 299.3426 -161719.8607 -109268.9499 298.8535 -149.0557 -121.6318 762418.8641 -14.8505 -14.8701 PRESSURE: 2333800 73.7919 -48.3929 53.7319 -48.3928 -61.8575 7.39159 53.7315 7.39129 120.74 GPRESSURE: 2333800 73.7465 -13.6352 -37.0374 -41.9215 42.1693 64.771 -22.89 54.2407 95.7707 PRESSAVG: 2333800 -0.182243 38.1512 13.711 38.1512 22.5131 43.0209 13.711 43.0208 2.24997 GPRESSAVG: 2333800 -0.702765 36.8906 14.9156 38.0712 22.7688 45.2178 13.9248 43.7933 2.85359 TIMING: 2333800 CPU: 7449.74, 0.00315719/step Wall: 7449.74, 0.00315719/step, 2.33825 hours remaining, 239.894531 MB of memory in use. ENERGY: 2333800 3952.5451 20510.0930 14377.4220 243.3293 -203233.9896 2400.4825 0.0000 0.0000 51934.0313 -109816.0864 298.4656 -161750.1177 -109466.3548 298.9795 44.2249 70.5622 760637.4600 8.1936 8.3065 PRESSURE: 2334000 -190.768 35.5023 -66.0466 35.5018 -40.9625 47.052 -66.046 47.0519 -334.588 GPRESSURE: 2334000 -185.53 -13.7676 -72.7283 178.3 8.75779 -29.0847 -48.5014 130.392 -300.644 PRESSAVG: 2334000 -17.8346 -31.3602 -4.524 -31.3603 9.09605 36.2943 -4.52402 36.2943 -1.50972 GPRESSAVG: 2334000 -18.1417 -32.7017 -5.37444 -30.4273 9.32853 33.6682 -5.62298 34.3996 -0.465203 TIMING: 2334000 CPU: 7450.37, 0.00315818/step Wall: 7450.37, 0.00315818/step, 2.33881 hours remaining, 239.894531 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: 2334000 3910.5675 20403.2346 14389.0245 263.0615 -203010.7938 2322.6789 0.0000 0.0000 51929.4550 -109792.7718 298.4393 -161722.2268 -109417.1014 298.2998 -188.7729 -159.1387 762931.0534 -3.4161 -3.0928 PRESSURE: 2334200 466.11 -106.633 -93.0217 -106.634 242.808 -119.345 -93.0219 -119.345 -98.7182 GPRESSURE: 2334200 502.847 -65.5131 -105.881 -116.297 180.012 -132.319 -2.38677 -39.9383 5.61432 PRESSAVG: 2334200 13.7234 -34.967 19.7759 -34.967 -38.9979 92.7613 19.7759 92.7614 -13.9518 GPRESSAVG: 2334200 14.7474 -35.4267 19.7781 -33.3175 -39.3006 93.3024 21.1816 94.8388 -15.3392 TIMING: 2334200 CPU: 7451.01, 0.00319114/step Wall: 7451.01, 0.00319114/step, 2.36304 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334200 4009.6522 20344.2812 14450.0418 251.1377 -203242.2704 2720.9357 0.0000 0.0000 51806.2062 -109660.0157 297.7310 -161466.2219 -109293.4029 298.5940 203.3997 229.4910 761327.7352 -13.0754 -13.2975 PRESSURE: 2334400 6.2599 -199.368 75.5025 -199.367 -34.0303 -111.826 75.502 -111.826 142.943 GPRESSURE: 2334400 69.2032 -260.983 94.6356 -139.856 72.3998 -147.76 -150.551 -159.082 51.153 PRESSAVG: 2334400 -12.2066 -27.1296 -65.499 -27.1296 19.3056 30.0912 -65.499 30.0911 -6.63369 GPRESSAVG: 2334400 -11.5429 -26.097 -66.7712 -29.4377 18.1837 29.4889 -65.0345 28.3834 -6.63363 TIMING: 2334400 CPU: 7451.64, 0.00313447/step Wall: 7451.64, 0.00313446/step, 2.3209 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334400 3962.5091 20454.0581 14433.7263 255.6620 -203458.0243 2551.2368 0.0000 0.0000 52083.4262 -109717.4058 299.3242 -161800.8320 -109353.7653 298.8449 38.3909 64.2520 762915.4974 0.1551 0.0024 PRESSURE: 2334600 -344.01 179.911 13.2923 179.911 -331.997 -90.5517 13.2922 -90.552 -102.009 GPRESSURE: 2334600 -395.188 144.346 -88.4978 101.987 -263.497 -67.8793 5.04031 44.793 -23.7481 PRESSAVG: 2334600 3.54275 -34.2594 2.49615 -34.2594 37.385 23.7868 2.49624 23.7868 -14.0441 GPRESSAVG: 2334600 1.48188 -32.1438 4.01852 -34.7503 38.9327 23.8454 0.669618 24.5748 -13.5567 TIMING: 2334600 CPU: 7452.27, 0.00314739/step Wall: 7452.27, 0.00314739/step, 2.33029 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334600 3949.5717 20427.5141 14383.7275 256.4315 -203129.8691 2157.5183 0.0000 0.0000 52073.4682 -109881.6378 299.2669 -161955.1060 -109511.7075 298.9570 -259.3387 -227.4777 760792.3916 8.9612 8.9526 PRESSURE: 2334800 -342.644 -55.6295 -398.623 -55.6289 -51.3509 274.832 -398.624 274.831 313.621 GPRESSURE: 2334800 -243.827 42.2365 -358.274 -49.516 -1.00111 205.114 -408.103 246.966 266.707 PRESSAVG: 2334800 8.84837 16.1829 -64.8896 16.1828 21.6359 47.5977 -64.8896 47.5977 -31.2923 GPRESSAVG: 2334800 8.65676 14.4075 -65.2263 19.2033 22.6001 48.5237 -63.6554 47.5672 -31.1371 TIMING: 2334800 CPU: 7452.9, 0.00317936/step Wall: 7452.9, 0.00317936/step, 2.35378 hours remaining, 239.894531 MB of memory in use. ENERGY: 2334800 3939.4206 20543.4001 14500.3125 244.1112 -203559.1283 2705.0897 0.0000 0.0000 51813.0970 -109813.6972 297.7706 -161626.7942 -109452.2758 298.2181 -26.7914 7.2930 761496.9560 -0.2693 0.0399 PRESSURE: 2335000 -285.768 53.144 -163.191 53.1436 -395.484 -159.167 -163.191 -159.167 -257.856 GPRESSURE: 2335000 -247.795 8.72446 -148.048 -23.8255 -319.655 -201.759 -281.739 -16.7235 -290.656 PRESSAVG: 2335000 8.30633 4.6999 -21.4983 4.69994 -15.7889 64.7014 -21.4982 64.7013 3.59831 GPRESSAVG: 2335000 8.72474 5.26754 -23.0394 3.2077 -16.5081 63.8363 -20.9865 65.6129 3.81353 TIMING: 2335000 CPU: 7453.53, 0.00315509/step Wall: 7453.53, 0.00315509/step, 2.33564 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335000 3940.0972 20476.3658 14420.9248 243.6080 -203489.9902 2428.8594 0.0000 0.0000 51983.6247 -109996.5103 298.7506 -161980.1349 -109644.5625 298.4164 -313.0357 -286.0354 761393.9397 -1.2947 -1.3233 PRESSURE: 2335200 152.807 -130.075 -121.853 -130.076 383.417 -103.475 -121.852 -103.475 -40.4853 GPRESSURE: 2335200 182.092 -167.165 -163.92 -67.4952 413.926 -80.7852 -52.9326 -112.86 -10.5891 PRESSAVG: 2335200 45.869 -21.1869 0.857655 -21.1869 -3.89466 24.3698 0.857667 24.3698 7.33055 GPRESSAVG: 2335200 47.0023 -25.2953 2.99621 -19.2542 -3.226 25.5768 0.184965 24.3202 5.9773 TIMING: 2335200 CPU: 7454.17, 0.00317764/step Wall: 7454.17, 0.00317764/step, 2.35216 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335200 3955.8995 20394.2458 14438.5914 235.2852 -203499.6675 2705.4709 0.0000 0.0000 51801.7007 -109968.4739 297.7051 -161770.1747 -109616.1478 298.1351 165.2462 195.1432 760587.8607 16.4349 16.5845 PRESSURE: 2335400 -139.607 245.941 -83.1835 245.941 -383.885 16.387 -83.1837 16.3865 -268.657 GPRESSURE: 2335400 -120.494 181.415 -20.6279 270.575 -299.744 96.6267 -92.4959 47.033 -315.038 PRESSAVG: 2335400 18.0492 -34.2019 -81.2908 -34.2019 36.0019 36.487 -81.2908 36.4869 -11.3152 GPRESSAVG: 2335400 17.6351 -32.5962 -82.3974 -34.8191 35.1593 35.8077 -79.7704 35.4051 -10.3436 TIMING: 2335400 CPU: 7454.81, 0.00317484/step Wall: 7454.81, 0.00317484/step, 2.34991 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335400 3968.0367 20626.4252 14396.2746 241.6363 -203272.4194 2450.7360 0.0000 0.0000 51779.1739 -109810.1367 297.5756 -161589.3106 -109453.2927 298.0186 -264.0496 -245.0920 762653.4258 14.2453 14.1503 PRESSURE: 2335600 35.0088 -89.7537 18.9558 -89.7528 135.963 215.353 18.9549 215.353 164.354 GPRESSURE: 2335600 36.6803 -119.786 -20.2071 -114.493 163.799 226.502 57.5274 220.162 229.217 PRESSAVG: 2335600 -93.46 -13.4202 -4.35587 -13.4201 31.7214 1.35351 -4.35582 1.35346 15.6736 GPRESSAVG: 2335600 -92.414 -12.1982 -3.41365 -13.2773 31.2285 2.43421 -3.20608 1.15979 15.0587 TIMING: 2335600 CPU: 7455.44, 0.00319601/step Wall: 7455.44, 0.00319601/step, 2.3654 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335600 4017.1974 20327.2672 14433.1183 245.7487 -203829.4552 2847.8190 0.0000 0.0000 51950.4477 -110007.8569 298.5599 -161958.3047 -109651.7724 297.8170 111.7755 143.2322 760686.9545 -15.3550 -15.3756 PRESSURE: 2335800 17.9153 118.892 -85.6094 118.892 -106.628 -31.4609 -85.6095 -31.4603 125.96 GPRESSURE: 2335800 -55.7347 9.10951 -131.291 93.9899 52.8033 -17.5949 -116.026 121.289 137.731 PRESSAVG: 2335800 51.0034 -37.1171 -39.8177 -37.1172 -27.2933 -6.75048 -39.8176 -6.75045 -2.01512 GPRESSAVG: 2335800 50.0637 -37.9087 -40.1089 -37.7185 -26.3846 -8.00547 -43.4884 -5.50625 -2.10262 TIMING: 2335800 CPU: 7456.08, 0.00315926/step Wall: 7456.08, 0.00315926/step, 2.33803 hours remaining, 239.894531 MB of memory in use. ENERGY: 2335800 3939.7814 20395.9393 14379.6685 248.1814 -204131.2383 3036.8060 0.0000 0.0000 52050.3522 -110080.5094 299.1341 -162130.8617 -109724.9627 297.9794 12.4157 44.9333 762808.4268 7.2317 7.1922 PRESSURE: 2336000 15.1952 -12.436 180.231 -12.436 319.578 -107.351 180.23 -107.351 -158.452 GPRESSURE: 2336000 147.678 -33.2704 193.003 -87.4845 178.903 -196.163 122.416 -112.1 -81.4685 PRESSAVG: 2336000 71.4378 -64.1627 17.4779 -64.1627 -20.9772 -38.6173 17.4779 -38.6174 -22.9672 GPRESSAVG: 2336000 72.4628 -64.5904 16.7697 -65.139 -21.6818 -39.4673 18.2383 -40.5249 -23.399 TIMING: 2336000 CPU: 7456.71, 0.00315389/step Wall: 7456.71, 0.00315388/step, 2.33387 hours remaining, 239.894531 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: 2336000 3951.6785 20473.5243 14439.7612 241.4495 -204064.8069 3010.7119 0.0000 0.0000 51963.5414 -109984.1401 298.6352 -161947.6815 -109618.4686 298.0757 58.7737 81.7042 761113.1844 9.1644 9.1273 PRESSURE: 2336200 162.638 -52.0696 60.6635 -52.0692 254.267 53.8754 60.6629 53.8745 -421.86 GPRESSURE: 2336200 187.399 -114.092 -7.14013 -9.18463 269.931 96.5985 79.1599 -2.89801 -363.282 PRESSAVG: 2336200 -24.3242 -8.85772 -43.4308 -8.85776 -38.9057 11.0792 -43.4308 11.0791 -5.12527 GPRESSAVG: 2336200 -25.766 -7.61089 -41.8183 -7.4187 -38.2823 11.531 -43.4317 12.0535 -4.0215 TIMING: 2336200 CPU: 7457.34, 0.00317703/step Wall: 7457.34, 0.00317703/step, 2.35083 hours remaining, 239.894531 MB of memory in use. ENERGY: 2336200 3991.5856 20504.2726 14469.8744 236.6363 -203870.7912 2948.0616 0.0000 0.0000 51785.0882 -109935.2726 297.6096 -161720.3608 -109572.5296 298.1269 -1.6517 31.3493 762059.7007 -22.7850 -22.6900 LDB: ============= START OF LOAD BALANCING ============== 7469.79 LDB: ============== END OF LOAD BALANCING =============== 7469.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7469.8 LDB: ============= START OF LOAD BALANCING ============== 7470.12 LDB: Largest compute 7026 load 0.037389 is 19.2% of average load 0.195192 LDB: Average compute 0.004407 is 2.3% of average load 0.195192 LDB: TIME 7470.12 LOAD: AVG 0.195192 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 7470.12 LOAD: AVG 0.195192 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: TIME 7470.12 LOAD: AVG 0.195192 MAX 0.213847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: ============== END OF LOAD BALANCING =============== 7470.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7470.13 PRESSURE: 2336400 333.627 -105.584 178.869 -105.584 92.4529 51.7748 178.87 51.7743 -198.901 GPRESSURE: 2336400 325.106 -56.8107 134.512 -64.9619 70.0557 91.0604 199.821 88.4205 -88.3378 PRESSAVG: 2336400 6.20217 -26.6138 -20.305 -26.6138 -7.36496 45.7488 -20.305 45.7488 -30.4125 GPRESSAVG: 2336400 7.67068 -25.9163 -21.0455 -26.6475 -7.52612 46.6123 -19.2199 44.4213 -31.5235 TIMING: 2336400 CPU: 7457.99, 0.00323865/step Wall: 7457.99, 0.00323865/step, 2.39624 hours remaining, 241.437500 MB of memory in use. ENERGY: 2336400 4052.6316 20449.0334 14430.0469 264.2195 -203846.0992 2808.4456 0.0000 0.0000 51881.8959 -109959.8263 298.1660 -161841.7222 -109598.5689 298.4119 75.7264 102.2745 762797.2625 -10.5251 -10.4597 PRESSURE: 2336600 -323.817 375.044 -239.735 375.044 -140.952 -113.545 -239.736 -113.545 -16.73 GPRESSURE: 2336600 -341.379 382.215 -270.522 287.396 -76.6655 -58.2684 -127.374 -124.887 18.3227 PRESSAVG: 2336600 -35.2179 -8.15425 1.06833 -8.15429 15.9277 -18.5043 1.06827 -18.5042 -6.05459 GPRESSAVG: 2336600 -35.2256 -9.28379 0.827393 -8.96574 15.0327 -19.6067 2.46896 -15.0431 -5.80212 TIMING: 2336600 CPU: 7458.63, 0.00318564/step Wall: 7458.63, 0.00318564/step, 2.35684 hours remaining, 241.582031 MB of memory in use. ENERGY: 2336600 4061.9575 20348.7323 14463.8267 249.6081 -203557.6745 2610.6111 0.0000 0.0000 52102.9733 -109719.9655 299.4365 -161822.9388 -109358.6447 298.8210 -160.4997 -133.2406 762472.7715 -8.4483 -8.6650 PRESSURE: 2336800 212.4 -220.172 -30.9982 -220.172 -91.0916 -20.9504 -30.9988 -20.9499 -195.661 GPRESSURE: 2336800 173.083 -156.739 67.7658 -189.173 -8.04762 41.594 -180.994 -5.33835 -159.939 PRESSAVG: 2336800 12.4564 -33.8205 -48.9248 -33.8205 9.22086 46.5835 -48.9248 46.5835 25.5468 GPRESSAVG: 2336800 11.583 -33.2361 -50.874 -34.3173 9.66006 48.0682 -50.3554 43.8257 26.5236 TIMING: 2336800 CPU: 7459.27, 0.00320001/step Wall: 7459.27, 0.00320001/step, 2.3673 hours remaining, 241.582031 MB of memory in use. ENERGY: 2336800 4007.7761 20467.6721 14476.7653 266.1069 -204019.1049 2834.8249 0.0000 0.0000 52054.4282 -109911.5314 299.1575 -161965.9596 -109557.9743 298.7331 -24.7843 1.6988 761687.9562 15.7413 15.9222 PRESSURE: 2337000 141.769 263.736 -109.676 263.737 39.3052 217.358 -109.676 217.357 248.16 GPRESSURE: 2337000 157.122 281.479 -108.309 198.166 38.258 135.275 -57.572 132.396 311.078 PRESSAVG: 2337000 2.02183 -33.5781 -15.109 -33.578 13.8932 -15.1351 -15.109 -15.1351 -3.56308 GPRESSAVG: 2337000 1.75399 -32.8796 -13.975 -33.2325 13.9131 -15.8388 -13.4045 -11.85 -3.24155 TIMING: 2337000 CPU: 7459.91, 0.00319282/step Wall: 7459.91, 0.00319282/step, 2.3618 hours remaining, 241.582031 MB of memory in use. ENERGY: 2337000 3984.4656 20452.7013 14461.8585 235.2019 -204204.3678 3076.8123 0.0000 0.0000 52118.4523 -109874.8758 299.5255 -161993.3281 -109514.8216 298.7030 143.0782 168.8194 760935.1227 4.1173 4.1418 PRESSURE: 2337200 -39.6008 -50.3929 61.6982 -50.3934 -54.8871 122.902 61.6976 122.902 -284.484 GPRESSURE: 2337200 -53.3302 56.7375 -13.8874 -3.54696 -116.722 113.175 111 110.587 -148.858 PRESSAVG: 2337200 32.0086 -71.7216 -21.2144 -71.7216 -26.6272 24.7115 -21.2144 24.7115 -13.8112 GPRESSAVG: 2337200 32.9431 -70.4662 -22.8773 -71.305 -26.1881 24.3119 -23.2025 23.6858 -15.3068 TIMING: 2337200 CPU: 7460.54, 0.00319517/step Wall: 7460.54, 0.00319517/step, 2.36336 hours remaining, 241.582031 MB of memory in use. ENERGY: 2337200 3927.8404 20653.6692 14560.3146 241.8801 -203681.1721 2682.7557 0.0000 0.0000 51926.7997 -109687.9123 298.4240 -161614.7120 -109321.7157 298.7149 -126.3240 -106.3034 762232.2651 -2.8099 -2.8506 PRESSURE: 2337400 85.2627 -36.1235 136.069 -36.1229 -300.905 -109.161 136.069 -109.159 401.835 GPRESSURE: 2337400 116.532 -165.796 182.632 -133.256 -248.871 -113.748 40.3743 -138.989 412.924 PRESSAVG: 2337400 -6.98276 -4.20282 16.9542 -4.2028 30.7007 22.6623 16.9542 22.6623 -12.2082 GPRESSAVG: 2337400 -7.5326 -7.11665 20.8033 -3.95849 30.0382 22.8601 14.5831 22.7753 -11.2266 TIMING: 2337400 CPU: 7461.19, 0.00322711/step Wall: 7461.19, 0.00322711/step, 2.38681 hours remaining, 241.582031 MB of memory in use. ENERGY: 2337400 3990.9085 20394.2574 14506.1794 248.7464 -203705.6631 2725.7558 0.0000 0.0000 52054.1481 -109785.6674 299.1559 -161839.8156 -109420.0829 298.2554 62.0640 93.5284 761155.2550 3.8366 3.7597 PRESSURE: 2337600 326.414 294.628 18.7274 294.629 292.981 -103.858 18.7281 -103.857 100.175 GPRESSURE: 2337600 328.715 202.619 -63.4583 211.502 374.069 -70.131 41.9867 -112.904 102.331 PRESSAVG: 2337600 -43.1648 -26.5701 10.7977 -26.57 25.5184 -12.8773 10.7977 -12.8773 -14.4219 GPRESSAVG: 2337600 -43.4044 -27.257 9.6142 -25.0108 25.9094 -14.2505 13.018 -11.7329 -14.0335 TIMING: 2337600 CPU: 7461.83, 0.00321259/step Wall: 7461.83, 0.00321259/step, 2.37589 hours remaining, 241.582031 MB of memory in use. ENERGY: 2337600 4017.6631 20546.9651 14418.6108 236.8067 -203768.4152 2897.9015 0.0000 0.0000 52054.9049 -109595.5631 299.1603 -161650.4681 -109228.2710 298.9872 239.8564 268.3717 760776.0525 -10.6894 -10.5095 PRESSURE: 2337800 -470.143 43.0571 -35.8757 43.0568 -149.884 -13.4202 -35.8756 -13.4193 -227.058 GPRESSURE: 2337800 -420.709 98.8805 31.4468 -18.4282 -151.077 -172.482 -22.5979 53.5124 -182.057 PRESSAVG: 2337800 -21.3096 30.7975 7.41838 30.7976 12.719 -17.7312 7.41832 -17.7311 -9.655 GPRESSAVG: 2337800 -21.0624 31.4416 8.74294 28.5225 13.3082 -15.7966 7.67206 -19.0306 -10.5336 TIMING: 2337800 CPU: 7462.47, 0.00319045/step Wall: 7462.47, 0.00319045/step, 2.35934 hours remaining, 241.582031 MB of memory in use. ENERGY: 2337800 4054.6641 20452.4347 14425.4769 274.1426 -203417.6962 2463.5471 0.0000 0.0000 52001.3754 -109746.0554 298.8526 -161747.4308 -109377.9477 299.3453 -282.3618 -251.2806 762548.9692 -6.0818 -6.0959 PRESSURE: 2338000 -316.744 -50.4949 72.82 -50.4935 -78.604 255.001 72.8203 255.002 192.111 GPRESSURE: 2338000 -266.883 -186.734 83.6148 -88.3397 -13.6963 232.441 110.083 254.699 159.528 PRESSAVG: 2338000 -24.4816 12.9081 -54.1435 12.9081 25.0247 -15.2778 -54.1434 -15.2778 5.48417 GPRESSAVG: 2338000 -24.6205 11.88 -55.7376 12.4246 24.4024 -14.9356 -55.0684 -14.9599 6.34183 TIMING: 2338000 CPU: 7463.1, 0.0031631/step Wall: 7463.1, 0.0031631/step, 2.33894 hours remaining, 241.582031 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: 2338000 4063.1964 20530.8806 14442.0829 263.8091 -203615.0336 2631.0887 0.0000 0.0000 51732.6467 -109951.3293 297.3082 -161683.9759 -109593.5822 298.6723 -67.7459 -40.3504 760852.5463 2.0091 2.0412 PRESSURE: 2338200 -206.313 -90.8168 -25.796 -90.8181 -324.487 -82.0456 -25.7956 -82.0461 74.2568 GPRESSURE: 2338200 -194.732 -61.9765 -77.5612 -162.801 -246.248 -56.3143 -39.6332 -52.0045 77.7951 PRESSAVG: 2338200 0.0465672 21.8452 -47.2376 21.8452 13.022 57.2949 -47.2377 57.2949 8.49118 GPRESSAVG: 2338200 -0.931147 22.5201 -46.0594 23.3417 14.4463 55.3743 -47.9368 58.3818 7.79334 TIMING: 2338200 CPU: 7463.73, 0.00315252/step Wall: 7463.73, 0.00315252/step, 2.33094 hours remaining, 241.582031 MB of memory in use. ENERGY: 2338200 3992.4303 20474.8541 14518.2162 254.1337 -203634.2130 2610.2771 0.0000 0.0000 51823.1891 -109961.1125 297.8286 -161784.3016 -109596.4794 298.3120 -152.1810 -121.0618 761652.2058 7.1866 7.1028 PRESSURE: 2338400 -160.458 -14.0046 269.727 -14.0046 30.0584 109.308 269.726 109.308 -287.178 GPRESSURE: 2338400 -115.41 -12.2204 295.707 14.3221 -7.66595 97.9629 169.711 81.859 -220.48 PRESSAVG: 2338400 -22.0009 8.93625 33.6278 8.9363 29.5185 30.3951 33.6277 30.3952 -4.07376 GPRESSAVG: 2338400 -20.1465 6.92773 30.6632 10.1649 28.1572 33.1044 34.5744 28.1072 -4.67944 TIMING: 2338400 CPU: 7464.37, 0.00316966/step Wall: 7464.37, 0.00316966/step, 2.34343 hours remaining, 241.582031 MB of memory in use. ENERGY: 2338400 3995.4788 20495.8526 14462.4561 239.7083 -204246.2630 2876.9430 0.0000 0.0000 52022.4820 -110153.3421 298.9739 -162175.8242 -109791.4770 298.1141 -139.1926 -114.5187 759989.3521 1.1480 1.1104 PRESSURE: 2338600 7.48399 26.24 -104.055 26.2404 -260.642 12.2365 -104.055 12.2373 -34.1216 GPRESSURE: 2338600 6.78677 71.2339 -85.9893 -0.773214 -188.488 10.5809 -128.561 146.169 -15.9287 PRESSAVG: 2338600 -47.7581 7.98043 36.6119 7.98045 25.1689 -69.9865 36.6119 -69.9866 -2.55246 GPRESSAVG: 2338600 -49.884 10.6077 39.1884 5.59468 26.1931 -71.5905 35.4336 -67.2949 -1.86496 TIMING: 2338600 CPU: 7465, 0.00315086/step Wall: 7465, 0.00315086/step, 2.32936 hours remaining, 241.582031 MB of memory in use. ENERGY: 2338600 4032.9674 20495.7394 14476.9262 253.5768 -203571.0987 2368.2735 0.0000 0.0000 51824.0592 -110119.5562 297.8336 -161943.6154 -109753.1557 297.7977 -95.7599 -65.8766 761175.9655 -8.3806 -8.5186 PRESSURE: 2338800 84.7244 -7.31879 84.4104 -7.3188 -160.802 16.7282 84.4104 16.7262 -127.868 GPRESSURE: 2338800 216.165 12.8531 144.289 8.13207 -120.213 104.621 8.50602 -11.9273 -224.094 PRESSAVG: 2338800 8.3382 29.9719 -32.5274 29.9719 29.2001 -42.3556 -32.5274 -42.3556 17.2292 GPRESSAVG: 2338800 9.90006 27.3056 -33.1827 32.3641 28.1223 -43.168 -29.0934 -42.2128 16.5598 TIMING: 2338800 CPU: 7465.63, 0.00316587/step Wall: 7465.63, 0.00316587/step, 2.34028 hours remaining, 241.582031 MB of memory in use. ENERGY: 2338800 4059.1580 20459.2847 14505.0185 251.7354 -203890.7249 2563.8286 0.0000 0.0000 51852.7532 -110198.9465 297.9985 -162051.6997 -109838.6459 298.0979 -67.9817 -42.7142 759657.5175 18.2558 18.1940 PRESSURE: 2339000 45.6744 -163.865 -30.1194 -163.864 370.765 76.7324 -30.1197 76.7317 399.879 GPRESSURE: 2339000 56.4631 -165.541 7.20738 -144.801 398.708 -28.4727 64.9215 191.008 459.303 PRESSAVG: 2339000 -39.4982 12.264 -5.21266 12.2639 -20.3771 -38.9387 -5.21272 -38.9387 8.62855 GPRESSAVG: 2339000 -39.8354 13.3105 -5.70794 12.3968 -19.9173 -37.5389 -5.91879 -38.9124 8.57136 TIMING: 2339000 CPU: 7466.27, 0.00318017/step Wall: 7466.27, 0.00318017/step, 2.35067 hours remaining, 241.582031 MB of memory in use. ENERGY: 2339000 3918.1638 20473.6747 14365.6443 261.2021 -204461.8269 3221.9869 0.0000 0.0000 52011.4077 -110209.7475 298.9103 -162221.1551 -109860.4239 297.8856 272.1061 304.8246 759743.0318 -17.0822 -17.0605 PRESSURE: 2339200 443.669 55.6748 146.578 55.6733 266.749 45.4599 146.578 45.46 -72.0096 GPRESSURE: 2339200 426.609 87.4291 152.953 34.1452 333.532 131.495 124.461 46.8099 -46.6542 PRESSAVG: 2339200 -10.5826 58.2585 -47.5754 58.2585 15.4609 -7.29661 -47.5755 -7.29647 22.7653 GPRESSAVG: 2339200 -11.4815 59.2018 -45.849 58.5408 15.3839 -9.15151 -49.1838 -10.0667 23.7614 TIMING: 2339200 CPU: 7466.9, 0.00314818/step Wall: 7466.9, 0.00314818/step, 2.32686 hours remaining, 241.582031 MB of memory in use. ENERGY: 2339200 3956.7214 20540.6183 14472.6161 253.8431 -204182.2782 2928.6394 0.0000 0.0000 51820.0399 -110209.8000 297.8105 -162029.8399 -109846.0291 298.2113 212.8028 237.8288 760863.9928 9.2145 9.2213 PRESSURE: 2339400 -356.007 241.088 88.5603 241.088 64.3875 -302.771 88.5602 -302.77 237.356 GPRESSURE: 2339400 -283.799 207.553 127.712 267.282 63.9772 -276.534 39.3365 -395.481 224.476 PRESSAVG: 2339400 -3.56212 -8.95431 4.98533 -8.9542 21.9624 -12.6908 4.98527 -12.6907 -7.79278 GPRESSAVG: 2339400 -4.02039 -11.0127 4.07174 -9.01379 23.2968 -12.241 6.04659 -10.9459 -8.19025 TIMING: 2339400 CPU: 7467.53, 0.00314602/step Wall: 7467.53, 0.00314602/step, 2.32508 hours remaining, 241.582031 MB of memory in use. ENERGY: 2339400 3996.0253 20520.6343 14395.9182 242.5092 -204245.6281 3079.5043 0.0000 0.0000 51948.5835 -110062.4533 298.5492 -162011.0367 -109705.0048 298.2432 -18.0878 1.5516 761371.6804 3.5358 3.6954 PRESSURE: 2339600 -124.755 81.6985 -32.2978 81.6986 -320.516 128.943 -32.2978 128.943 18.8764 GPRESSURE: 2339600 -78.0171 20.9325 62.586 76.7641 -315.533 166.094 0.450213 76.0385 40.9828 PRESSAVG: 2339600 -27.2645 53.5078 50.5988 53.5078 -16.6701 -8.34106 50.5988 -8.34111 -4.14988 GPRESSAVG: 2339600 -26.3004 55.7128 50.4545 50.1691 -18.275 -8.48833 51.3409 -9.84945 -3.33719 TIMING: 2339600 CPU: 7468.16, 0.00316223/step Wall: 7468.16, 0.00316223/step, 2.33689 hours remaining, 241.582031 MB of memory in use. ENERGY: 2339600 3978.5748 20659.9428 14404.8587 239.2266 -203701.4394 2583.4343 0.0000 0.0000 51893.0740 -109942.3282 298.2302 -161835.4022 -109580.2961 298.4261 -142.1317 -117.5224 761028.3074 -16.0281 -15.9709 PRESSURE: 2339800 188.16 25.3031 -10.3286 25.3022 79.2186 136.732 -10.329 136.732 200.806 GPRESSURE: 2339800 295.543 -88.3302 -42.1323 47.0238 46.9137 126.318 -36.4753 110.706 201.461 PRESSAVG: 2339800 29.1568 -8.37486 62.1264 -8.37487 -31.1604 18.6096 62.1264 18.6097 -1.18098 GPRESSAVG: 2339800 29.238 -6.74316 62.9487 -8.02755 -31.5503 18.3546 61.9149 19.1703 -1.31745 TIMING: 2339800 CPU: 7468.79, 0.00317249/step Wall: 7468.79, 0.00317249/step, 2.34429 hours remaining, 241.582031 MB of memory in use. ENERGY: 2339800 4041.1327 20377.7116 14348.3749 255.6591 -204012.9136 2948.2754 0.0000 0.0000 52093.6951 -109948.0649 299.3832 -162041.7600 -109579.4915 298.6101 156.0615 181.3060 759991.1855 -1.0616 -1.2099 PRESSURE: 2340000 346.108 -178.217 -128.948 -178.216 -344.04 44.1668 -128.948 44.1674 184.401 GPRESSURE: 2340000 295.799 -115.682 -148.075 -207.413 -200.693 43.0333 -96.9168 -67.5134 208.743 PRESSAVG: 2340000 -0.0157261 -42.0299 26.8552 -42.0299 45.4097 -11.3015 26.8553 -11.3014 7.3817 GPRESSAVG: 2340000 -0.577808 -42.2263 26.3103 -41.5424 46.7291 -9.8062 24.7902 -11.1929 6.26298 TIMING: 2340000 CPU: 7469.43, 0.00316217/step Wall: 7469.43, 0.00316217/step, 2.33649 hours remaining, 241.582031 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: 2340000 4041.6797 20515.2753 14370.9037 258.8800 -203627.0786 2593.4846 0.0000 0.0000 51902.2413 -109944.6140 298.2829 -161846.8552 -109593.0793 298.5247 62.1565 101.2832 759868.4657 17.5919 17.4714 PRESSURE: 2340200 207.223 -148.406 -120.802 -148.407 -208.472 -36.998 -120.803 -36.9973 -70.724 GPRESSURE: 2340200 212.571 -175.547 -25.2835 -219.435 -133.065 56.5085 -79.1544 -92.6151 -67.5247 PRESSAVG: 2340200 -10.458 -63.2913 4.81339 -63.2912 15.9854 -6.9626 4.81339 -6.96265 11.5615 GPRESSAVG: 2340200 -10.7534 -66.0234 4.34091 -60.2581 16.5001 -6.17092 5.30859 -8.23669 10.9967 TIMING: 2340200 CPU: 7470.06, 0.00315104/step Wall: 7470.06, 0.00315104/step, 2.32809 hours remaining, 241.582031 MB of memory in use. ENERGY: 2340200 4069.4537 20489.9641 14389.1242 229.2906 -203522.3352 2592.7712 0.0000 0.0000 51764.3643 -109987.3671 297.4905 -161751.7314 -109633.0355 298.1547 -23.9912 3.9938 760417.0317 5.6963 5.5811 LDB: ============= START OF LOAD BALANCING ============== 7482.51 LDB: ============== END OF LOAD BALANCING =============== 7482.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.51 LDB: ============= START OF LOAD BALANCING ============== 7482.82 LDB: Largest compute 7057 load 0.033975 is 17.4% of average load 0.195325 LDB: Average compute 0.004394 is 2.2% of average load 0.195325 LDB: TIME 7482.83 LOAD: AVG 0.195325 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7482.83 LOAD: AVG 0.195325 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 7482.83 LOAD: AVG 0.195325 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 7482.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.83 PRESSURE: 2340400 -42.4744 -113.686 -42.7026 -113.686 9.54528 205.894 -42.7032 205.894 134.238 GPRESSURE: 2340400 9.73845 -48.2468 -93.1015 -160.928 159.778 149.783 91.4835 201.315 1.18834 PRESSAVG: 2340400 11.4817 -15.0257 35.9896 -15.0257 4.64972 14.8902 35.9897 14.8901 -8.10449 GPRESSAVG: 2340400 12.5739 -12.2822 36.7141 -17.7347 3.4476 11.8606 38.303 18.1349 -8.57106 TIMING: 2340400 CPU: 7470.7, 0.00321028/step Wall: 7470.7, 0.00321028/step, 2.37168 hours remaining, 239.894531 MB of memory in use. ENERGY: 2340400 3982.1579 20440.5176 14417.6002 258.9161 -203547.3318 2467.8272 0.0000 0.0000 51921.8287 -110058.4842 298.3955 -161980.3129 -109690.8746 298.5299 33.7696 56.9015 759947.3173 2.6756 2.4835 PRESSURE: 2340600 -259.854 -12.9283 187.788 -12.9286 -116.239 -45.7358 187.788 -45.7353 -285.7 GPRESSURE: 2340600 -317.278 -13.8646 152.719 -75.2351 -49.5073 -4.24641 80.3836 14.2588 -217.742 PRESSAVG: 2340600 2.38084 -29.1741 46.6226 -29.1741 -9.59775 -5.1913 46.6226 -5.19118 5.77361 GPRESSAVG: 2340600 0.662113 -30.3193 45.7737 -27.999 -10.3442 -5.0498 43.6718 -5.15528 7.57096 TIMING: 2340600 CPU: 7471.33, 0.00316784/step Wall: 7471.33, 0.00316784/step, 2.34015 hours remaining, 239.894531 MB of memory in use. ENERGY: 2340600 3980.1835 20230.7684 14483.6041 248.8613 -203688.6993 2496.7569 0.0000 0.0000 51839.9714 -110408.5538 297.9250 -162248.5252 -110046.3253 298.1514 -220.5976 -194.8424 760648.2362 -0.4811 -0.7037 PRESSURE: 2340800 90.187 -107.003 -46.769 -107.003 -254.224 -67.7432 -46.7697 -67.7435 280.969 GPRESSURE: 2340800 89.6516 -217.494 -52.1651 -69.8152 -174.658 -56.5539 -92.6265 -167.302 290.767 PRESSAVG: 2340800 -8.99713 -1.34429 20.9936 -1.34429 29.9652 14.6 20.9936 14.5999 10.7185 GPRESSAVG: 2340800 -8.21328 -1.83395 22.2281 -1.23731 30.0649 15.2939 21.9291 12.9028 9.82945 TIMING: 2340800 CPU: 7471.97, 0.00319132/step Wall: 7471.97, 0.00319132/step, 2.35732 hours remaining, 239.894531 MB of memory in use. ENERGY: 2340800 3977.5572 20343.4326 14411.5837 241.9333 -203559.6599 2270.3866 0.0000 0.0000 51993.2178 -110321.5487 298.8057 -162314.7665 -109959.4480 297.7160 38.9773 68.5868 759525.6843 10.5622 10.5604 PRESSURE: 2341000 -15.4023 -50.426 -90.2953 -50.4271 114.281 -12.8805 -90.2953 -12.8815 5.70404 GPRESSURE: 2341000 -49.9119 -84.6481 -44.2355 15.5698 158.579 5.04738 -121.286 -10.9702 64.9596 PRESSAVG: 2341000 -19.379 -0.237751 15.0407 -0.237785 50.2252 -23.7748 15.0408 -23.7748 -0.227251 GPRESSAVG: 2341000 -19.7359 -0.886752 13.0348 -0.801158 51.4553 -25.2564 16.8952 -23.0024 -0.93221 TIMING: 2341000 CPU: 7472.6, 0.0031357/step Wall: 7472.6, 0.0031357/step, 2.31606 hours remaining, 239.894531 MB of memory in use. ENERGY: 2341000 3972.5540 20382.3285 14432.5948 240.0235 -203736.4601 2623.6481 0.0000 0.0000 51795.6389 -110289.6723 297.6702 -162085.3112 -109929.6605 297.9495 34.8610 57.8754 759024.8084 10.2063 10.2624 PRESSURE: 2341200 -227.47 54.4552 97.456 54.4556 -287.446 45.7414 97.4552 45.7414 15.6981 GPRESSURE: 2341200 -203.458 32.9376 106.179 153.669 -273.684 43.8717 33.5766 112.36 42.0432 PRESSAVG: 2341200 -14.0321 -0.238266 -38.9864 -0.238265 30.5279 -21.5545 -38.9865 -21.5545 28.6159 GPRESSAVG: 2341200 -14.7254 0.764837 -37.9521 -0.353404 30.6874 -20.4665 -40.1775 -21.2553 29.1212 TIMING: 2341200 CPU: 7473.24, 0.00319226/step Wall: 7473.24, 0.00319226/step, 2.35766 hours remaining, 239.894531 MB of memory in use. ENERGY: 2341200 3979.1315 20501.7574 14443.7478 247.7474 -203517.3609 2457.1065 0.0000 0.0000 51942.9087 -109944.9615 298.5166 -161887.8703 -109584.3001 297.9592 -166.4060 -145.0329 759485.7067 15.0372 15.0277 PRESSURE: 2341400 -65.5106 -239.309 -66.0257 -239.309 -112.863 112.771 -66.0259 112.771 124.091 GPRESSURE: 2341400 -103.862 -251.151 -96.5805 -282.195 -56.6754 200.149 -86.421 -21.2501 165.282 PRESSAVG: 2341400 3.49989 -26.1315 52.4476 -26.1314 7.4134 12.4664 52.4477 12.4663 -8.34566 GPRESSAVG: 2341400 2.85532 -27.0657 52.8924 -24.6162 7.43152 11.353 51.8771 12.9155 -8.00052 TIMING: 2341400 CPU: 7473.87, 0.00317586/step Wall: 7473.87, 0.00317586/step, 2.34537 hours remaining, 239.894531 MB of memory in use. ENERGY: 2341400 3976.7674 20425.2279 14440.9152 229.5384 -203639.3086 2394.4912 0.0000 0.0000 51979.2554 -110193.1132 298.7255 -162172.3686 -109834.7848 298.1078 -18.0941 1.5814 760285.8737 0.8559 0.7621 PRESSURE: 2341600 -76.6708 218.609 -314.053 218.609 24.7587 -10.9858 -314.053 -10.9861 95.2438 GPRESSURE: 2341600 -108.088 228.792 -286.497 219.083 83.3404 22.7787 -191.406 54.4205 149.456 PRESSAVG: 2341600 19.7841 -15.9627 -30.7506 -15.9628 -2.84403 9.12126 -30.7506 9.12124 -14.8454 GPRESSAVG: 2341600 21.6928 -14.7 -29.7378 -16.6028 -4.81934 10.1441 -30.9589 9.1104 -14.8098 TIMING: 2341600 CPU: 7474.5, 0.00315105/step Wall: 7474.5, 0.00315105/step, 2.32688 hours remaining, 239.894531 MB of memory in use. ENERGY: 2341600 4048.5366 20388.0309 14550.0373 240.5123 -204196.8657 2917.1269 0.0000 0.0000 51864.7963 -110187.8254 298.0677 -162052.6217 -109827.3482 297.7886 14.4439 41.5695 760812.5943 0.6982 0.6879 PRESSURE: 2341800 -39.8453 123.653 313.205 123.653 -42.8593 207.268 313.206 207.268 13.0205 GPRESSURE: 2341800 31.0082 -12.6235 279.574 112.951 -56.5127 203.986 237.794 220.964 60.7589 PRESSAVG: 2341800 4.06847 -22.7864 47.7185 -22.7864 6.8217 15.5066 47.7185 15.5066 -29.1033 GPRESSAVG: 2341800 3.17422 -23.0792 46.6488 -23.2505 7.31685 15.8657 46.4161 14.3497 -28.5399 TIMING: 2341800 CPU: 7475.13, 0.00314082/step Wall: 7475.13, 0.00314082/step, 2.31915 hours remaining, 239.894531 MB of memory in use. ENERGY: 2341800 3975.2940 20398.4140 14403.6649 230.0076 -203718.1447 2421.9961 0.0000 0.0000 52117.1867 -110171.5813 299.5182 -162288.7681 -109809.8621 298.2320 -23.2280 11.7514 760023.7879 -6.0710 -6.0163 PRESSURE: 2342000 -476.004 -41.3167 -147.018 -41.3175 -244.362 -314.373 -147.018 -314.372 -361.446 GPRESSURE: 2342000 -368.995 -35.575 -154.183 -104.161 -207.325 -197.096 30.1594 -237.385 -418.658 PRESSAVG: 2342000 27.8808 -17.9885 54.1888 -17.9885 -34.2581 30.0252 54.1888 30.0252 9.08733 GPRESSAVG: 2342000 27.9618 -17.1907 53.7432 -17.0575 -33.5808 28.9826 56.142 30.3823 8.26567 TIMING: 2342000 CPU: 7475.76, 0.00314967/step Wall: 7475.76, 0.00314967/step, 2.32551 hours remaining, 239.894531 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: 2342000 4005.4979 20334.3922 14423.2195 242.9690 -203134.6275 2428.7258 0.0000 0.0000 51684.1852 -110015.6378 297.0297 -161699.8230 -109657.8684 298.1902 -360.6042 -331.6593 762394.3690 0.9033 0.8822 PRESSURE: 2342200 -212.451 249.347 225.672 249.347 89.5118 80.37 225.672 80.3702 304.496 GPRESSURE: 2342200 -194.638 181.869 271.036 232.315 174.082 111.224 245.463 60.7438 297.521 PRESSAVG: 2342200 -31.9915 5.1979 -0.904916 5.19788 27.1256 34.4244 -0.904914 34.4244 11.7526 GPRESSAVG: 2342200 -31.0147 5.80781 -0.615446 4.09805 25.6773 35.1886 -1.23104 34.6259 11.681 TIMING: 2342200 CPU: 7476.39, 0.00313586/step Wall: 7476.39, 0.00313586/step, 2.31514 hours remaining, 239.894531 MB of memory in use. ENERGY: 2342200 4032.7504 20384.4272 14489.5091 241.5083 -203779.9469 2866.2020 0.0000 0.0000 51899.7704 -109865.7795 298.2687 -161765.5499 -109501.9675 298.2370 60.5188 92.3214 762400.7902 2.2956 2.1145 PRESSURE: 2342400 58.7003 -48.596 -160.012 -48.5952 450.192 269.664 -160.013 269.664 -355.249 GPRESSURE: 2342400 125.51 -107.975 -112.363 -22.4131 430.75 252.157 -182.905 95.8868 -317.051 PRESSAVG: 2342400 20.9532 7.60126 2.11663 7.60125 -31.3232 49.0717 2.11674 49.0718 0.938416 GPRESSAVG: 2342400 18.8762 7.93338 2.55011 6.20431 -30.5578 48.6102 2.46268 47.9522 1.92298 TIMING: 2342400 CPU: 7477.01, 0.00314426/step Wall: 7477.01, 0.00314426/step, 2.32116 hours remaining, 239.894531 MB of memory in use. ENERGY: 2342400 3987.0415 20503.1314 14467.8965 235.2537 -203756.7458 2787.4516 0.0000 0.0000 52081.3508 -109694.6202 299.3122 -161775.9711 -109333.3866 298.4788 51.2143 79.7362 760891.7504 -3.1439 -3.2529 PRESSURE: 2342600 -93.1509 -10.0293 -18.2575 -10.0295 -312.465 19.1248 -18.2583 19.1242 -589.866 GPRESSURE: 2342600 -135.087 -91.0223 -49.5684 53.6192 -292.276 -7.9128 -37.6641 152.578 -477.776 PRESSAVG: 2342600 -19.3848 18.9119 -21.3521 18.9119 8.7126 3.91641 -21.3521 3.9164 8.96337 GPRESSAVG: 2342600 -18.507 17.8633 -22.1983 22.8548 8.83133 3.41573 -21.796 5.32228 8.16568 TIMING: 2342600 CPU: 7477.64, 0.00314121/step Wall: 7477.64, 0.00314121/step, 2.31874 hours remaining, 239.894531 MB of memory in use. ENERGY: 2342600 4039.7726 20369.5016 14489.7512 241.3611 -202720.5713 2127.2308 0.0000 0.0000 51930.8946 -109522.0595 298.4476 -161452.9540 -109158.6480 298.5915 -331.8271 -301.7132 761807.3446 -0.5696 -0.5033 PRESSURE: 2342800 75.3496 -379.607 248.518 -379.606 12.4359 -31.9777 248.518 -31.9765 608.526 GPRESSURE: 2342800 189.943 -288.147 357.478 -167.762 51.4281 -11.6721 232.84 63.8565 516.165 PRESSAVG: 2342800 30.0539 13.936 -51.0145 13.936 -21.7578 29.2398 -51.0145 29.2397 2.50814 GPRESSAVG: 2342800 28.6545 12.9467 -51.3261 13.1289 -20.3575 28.7119 -50.4352 32.0454 2.03941 TIMING: 2342800 CPU: 7478.27, 0.00314482/step Wall: 7478.27, 0.00314482/step, 2.32122 hours remaining, 239.894531 MB of memory in use. ENERGY: 2342800 4018.1985 20517.5224 14483.3731 238.5454 -203503.8511 2765.6061 0.0000 0.0000 51815.8418 -109664.7638 297.7864 -161480.6056 -109309.3132 298.9881 232.1039 252.5120 761096.8079 3.6014 3.4455 PRESSURE: 2343000 -350.955 -85.1466 32.598 -85.1463 351.963 146.733 32.5985 146.733 -125.579 GPRESSURE: 2343000 -243.064 -90.3611 -18.3624 46.728 301.979 140.942 -80.6216 74.6615 -105.804 PRESSAVG: 2343000 -11.7544 -4.19855 -5.23968 -4.19855 35.0577 83.6827 -5.23961 83.6827 4.49416 GPRESSAVG: 2343000 -9.81703 -3.25441 -4.71082 -5.09894 32.5565 86.3871 -3.82994 79.0668 5.36923 TIMING: 2343000 CPU: 7478.9, 0.00313043/step Wall: 7478.9, 0.00313043/step, 2.31043 hours remaining, 239.894531 MB of memory in use. ENERGY: 2343000 4002.3411 20479.0118 14430.1335 242.2300 -203548.4488 2716.9949 0.0000 0.0000 52198.0962 -109479.6413 299.9832 -161677.7375 -109115.2027 299.1654 -41.5238 -15.6296 762462.5945 9.2658 9.3696 PRESSURE: 2343200 53.5268 240.851 117.367 240.851 -118.192 -83.7096 117.367 -83.709 -13.782 GPRESSURE: 2343200 93.3054 145.128 203.117 186.383 17.8949 -17.6412 138.906 -85.4901 -93.3626 PRESSAVG: 2343200 -36.003 42.3064 24.5272 42.3064 21.2773 53.8135 24.5272 53.8135 3.72235 GPRESSAVG: 2343200 -36.749 41.3068 25.0594 44.2641 22.2421 52.9999 23.3317 53.2186 3.52329 TIMING: 2343200 CPU: 7479.53, 0.00313497/step Wall: 7479.53, 0.00313497/step, 2.31361 hours remaining, 239.894531 MB of memory in use. ENERGY: 2343200 4005.9148 20519.9740 14494.4540 253.3879 -203366.9983 2743.0193 0.0000 0.0000 52134.9465 -109215.3017 299.6203 -161350.2482 -108846.7549 299.6117 -26.1489 5.9459 761490.2091 -3.6678 -3.6612 PRESSURE: 2343400 90.4169 -22.7985 144.092 -22.7979 -19.7547 -47.9175 144.093 -47.9181 58.9711 GPRESSURE: 2343400 125.384 -61.8879 130.671 0.0303437 -21.109 -27.2333 191.317 -4.38286 100.184 PRESSAVG: 2343400 -28.635 -20.883 -5.15642 -20.8829 6.00386 22.0335 -5.15636 22.0335 14.8917 GPRESSAVG: 2343400 -27.2514 -19.4323 -6.77856 -24.0046 5.07237 23.7553 -4.68075 23.7079 14.1853 TIMING: 2343400 CPU: 7480.16, 0.00316171/step Wall: 7480.16, 0.00316171/step, 2.33316 hours remaining, 239.894531 MB of memory in use. ENERGY: 2343400 3984.3227 20527.9330 14471.5595 240.0806 -203689.3244 2854.0585 0.0000 0.0000 52181.9410 -109429.4292 299.8903 -161611.3702 -109061.5146 299.7293 43.2111 68.1528 762181.6734 -2.5798 -2.6646 PRESSURE: 2343600 -386.731 192.26 -77.7956 192.26 -92.8767 -247.598 -77.7951 -247.598 -44.3848 GPRESSURE: 2343600 -356.117 121.365 -156.153 48.31 -152.147 -227.923 -276.856 -258.542 48.9491 PRESSAVG: 2343600 -20.8878 -14.2807 -45.0642 -14.2807 -2.63029 -0.605206 -45.0641 -0.605362 13.7788 GPRESSAVG: 2343600 -21.0603 -15.3152 -44.6487 -12.177 -2.30806 -3.9763 -45.4109 -1.25207 14.0177 TIMING: 2343600 CPU: 7480.79, 0.00316867/step Wall: 7480.79, 0.00316867/step, 2.33813 hours remaining, 239.894531 MB of memory in use. ENERGY: 2343600 3994.7018 20575.6190 14425.4409 246.9406 -203424.1350 2583.1527 0.0000 0.0000 52107.9114 -109490.3686 299.4649 -161598.2800 -109125.8544 299.4338 -174.6642 -153.1048 761763.2037 -3.2465 -3.1169 PRESSURE: 2343800 -46.6025 40.6253 -86.2192 40.6254 45.7219 147.564 -86.2191 147.564 436.667 GPRESSURE: 2343800 73.5122 110.48 -121.916 -23.4661 94.2195 182.509 -62.5692 114.925 326.271 PRESSAVG: 2343800 37.0283 33.4959 -67.0185 33.4959 -62.5973 17.0267 -67.0185 17.0268 11.2962 GPRESSAVG: 2343800 36.5743 33.5456 -68.0567 33.4236 -62.1648 17.9208 -66.9851 18.2451 11.0447 TIMING: 2343800 CPU: 7481.43, 0.00317292/step Wall: 7481.43, 0.00317292/step, 2.34108 hours remaining, 239.894531 MB of memory in use. ENERGY: 2343800 4003.5829 20475.0193 14458.2927 270.1957 -203547.5878 2832.0698 0.0000 0.0000 51969.6524 -109538.7749 298.6703 -161508.4274 -109178.6766 299.0298 145.2620 164.6676 762259.6157 -4.7576 -4.8486 PRESSURE: 2344000 -149.734 150.949 135.062 150.949 196.985 -99.9011 135.062 -99.9015 445.908 GPRESSURE: 2344000 -58.1255 237.186 92.4071 154.523 186.942 -140.523 102.885 -92.1502 448.435 PRESSAVG: 2344000 -13.8098 39.8642 -15.8702 39.8642 -3.08752 22.1835 -15.8703 22.1834 6.03028 GPRESSAVG: 2344000 -14.0283 42.0181 -14.6827 39.1935 -3.58554 23.2562 -15.9079 21.6831 6.2648 TIMING: 2344000 CPU: 7482.06, 0.00314845/step Wall: 7482.06, 0.00314845/step, 2.32286 hours remaining, 239.894531 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: 2344000 3975.0077 20663.8451 14475.9939 247.0830 -203803.1118 2603.3493 0.0000 0.0000 52434.5576 -109403.2752 301.3421 -161837.8327 -109037.0529 299.3986 164.3864 192.4171 760487.1874 -3.6224 -3.7830 PRESSURE: 2344200 174.136 -99.2863 -27.9693 -99.2864 215.08 51.5031 -27.97 51.5037 118.454 GPRESSURE: 2344200 90.2999 -136.325 -87.7497 -80.3101 265.174 42.7531 -49.763 73.5638 211.745 PRESSAVG: 2344200 -28.9964 -43.8612 -34.9307 -43.8611 19.3534 -1.44549 -34.9307 -1.44549 22.526 GPRESSAVG: 2344200 -30.2427 -43.4542 -35.6194 -44.1056 19.7577 -4.45662 -35.4101 -0.250709 24.1291 TIMING: 2344200 CPU: 7482.68, 0.00314031/step Wall: 7482.68, 0.00314031/step, 2.31668 hours remaining, 239.894531 MB of memory in use. ENERGY: 2344200 4033.2856 20654.5234 14426.1430 234.9568 -203143.4365 2566.0546 0.0000 0.0000 51771.5092 -109456.9639 297.5316 -161228.4732 -109104.3217 299.6007 169.2234 189.0728 760376.3374 4.2944 4.5480 LDB: ============= START OF LOAD BALANCING ============== 7495.14 LDB: ============== END OF LOAD BALANCING =============== 7495.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.14 LDB: ============= START OF LOAD BALANCING ============== 7495.45 LDB: Largest compute 7073 load 0.033781 is 17.3% of average load 0.195300 LDB: Average compute 0.004375 is 2.2% of average load 0.195300 LDB: TIME 7495.45 LOAD: AVG 0.1953 MAX 0.212566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 7495.46 LOAD: AVG 0.1953 MAX 0.212566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: TIME 7495.46 LOAD: AVG 0.1953 MAX 0.212566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.93 MB LDB: ============== END OF LOAD BALANCING =============== 7495.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.46 PRESSURE: 2344400 -384.15 -64.3641 112.877 -64.3649 -477.614 9.30299 112.877 9.30277 -64.989 GPRESSURE: 2344400 -356.043 -174.271 31.2257 -202.257 -418.06 -4.01604 50.7833 -56.6827 -90.6991 PRESSAVG: 2344400 17.7181 -33.1067 -0.03169 -33.1068 -55.8061 -34.6755 -0.0316828 -34.6756 9.16325 GPRESSAVG: 2344400 18.1268 -34.3905 0.474895 -32.1713 -54.538 -34.5589 0.248929 -31.8805 7.52938 TIMING: 2344400 CPU: 7483.33, 0.00321525/step Wall: 7483.33, 0.00321525/step, 2.37178 hours remaining, 239.527344 MB of memory in use. ENERGY: 2344400 3998.9836 20529.2960 14452.6655 247.7376 -203010.0462 2206.6229 0.0000 0.0000 52065.1635 -109509.5771 299.2192 -161574.7406 -109142.7811 299.2709 -308.9177 -288.2675 762008.9431 -9.6416 -9.6273 PRESSURE: 2344600 -120.551 49.0521 -175.722 49.0521 -161.384 -110.947 -175.722 -110.948 323.038 GPRESSURE: 2344600 -44.4216 36.0243 -219.988 17.5562 -113.42 -54.6894 -125.661 -78.3551 295.803 PRESSAVG: 2344600 -2.45652 4.97004 -22.3293 4.97005 11.4483 -24.6897 -22.3293 -24.6897 13.3579 GPRESSAVG: 2344600 -2.30084 3.74833 -22.2494 3.89419 10.3125 -21.8574 -21.3361 -29.2613 14.2214 TIMING: 2344600 CPU: 7483.96, 0.00315882/step Wall: 7483.96, 0.00315882/step, 2.32998 hours remaining, 239.527344 MB of memory in use. ENERGY: 2344600 4023.5798 20371.7454 14508.6472 247.4556 -203368.5412 2583.9073 0.0000 0.0000 52286.4961 -109346.7096 300.4912 -161633.2057 -108978.4279 299.2619 13.7011 45.9872 762378.4121 7.4499 7.4110 PRESSURE: 2344800 -97.7206 -50.1428 -47.2947 -50.1426 -186.505 81.1195 -47.2944 81.1206 -180.441 GPRESSURE: 2344800 -48.3151 -124.505 27.2099 -34.6176 -176.986 152.723 -132.159 225.381 -141.598 PRESSAVG: 2344800 -19.9341 42.2095 -22.6104 42.2095 16.7564 -12.0459 -22.6105 -12.0459 1.43109 GPRESSAVG: 2344800 -20.4128 46.4641 -22.8056 41.5728 16.2179 -12.6252 -23.7981 -8.45737 2.26952 TIMING: 2344800 CPU: 7484.59, 0.00314932/step Wall: 7484.59, 0.00314932/step, 2.3228 hours remaining, 239.527344 MB of memory in use. ENERGY: 2344800 3968.9004 20311.1214 14481.4365 242.6339 -202878.5515 2423.1169 0.0000 0.0000 52171.9588 -109279.3837 299.8330 -161451.3425 -108922.3144 300.1526 -154.8891 -122.2996 762754.7453 -0.5822 -0.6418 PRESSURE: 2345000 219.784 15.6883 161.902 15.6882 154.933 75.3502 161.901 75.3498 -50.677 GPRESSURE: 2345000 267.143 78.8877 191.606 112.44 54.9005 80.4278 133.037 40.4939 89.2079 PRESSAVG: 2345000 -24.655 -16.5222 -20.2373 -16.5223 30.4257 -14.3947 -20.2374 -14.3947 -2.82909 GPRESSAVG: 2345000 -24.6844 -18.6965 -20.553 -15.6355 30.8926 -13.5357 -19.8909 -17.7006 -2.90932 TIMING: 2345000 CPU: 7485.22, 0.00315518/step Wall: 7485.22, 0.00315518/step, 2.32694 hours remaining, 239.527344 MB of memory in use. ENERGY: 2345000 4004.5379 20560.7244 14407.1991 245.0530 -203864.6444 2875.7639 0.0000 0.0000 52572.3254 -109199.0408 302.1339 -161771.3662 -108840.2899 299.9138 108.0133 137.0838 763181.5180 0.9806 1.0996 PRESSURE: 2345200 -232.624 -57.8161 -112.749 -57.8169 116.189 151.932 -112.75 151.933 -198.362 GPRESSURE: 2345200 -246.461 -104.776 -188.45 -203.751 121.197 180.666 -102.055 96.1628 -105.768 PRESSAVG: 2345200 -46.7094 -40.1478 -21.281 -40.1478 20.3966 -61.7403 -21.281 -61.7404 13.0796 GPRESSAVG: 2345200 -46.6096 -40.166 -19.3976 -39.4987 19.8492 -61.8897 -21.8768 -60.1003 13.3664 TIMING: 2345200 CPU: 7485.85, 0.0031442/step Wall: 7485.85, 0.0031442/step, 2.31867 hours remaining, 239.527344 MB of memory in use. ENERGY: 2345200 3890.0626 20561.7461 14533.2282 253.0951 -203259.5976 2566.8543 0.0000 0.0000 52249.6704 -109204.9408 300.2796 -161454.6112 -108839.5253 299.7619 -104.9323 -77.0107 763163.5814 -4.4111 -4.4647 PRESSURE: 2345400 -37.6483 101.27 -184.924 101.27 281.572 -175.389 -184.923 -175.388 123.698 GPRESSURE: 2345400 77.7409 53.0732 -105.342 121.635 275.077 -152.325 -30.2458 -160.152 94.539 PRESSAVG: 2345400 -44.227 -17.8865 -1.44265 -17.8865 28.4019 -11.6386 -1.44265 -11.6385 16.3187 GPRESSAVG: 2345400 -44.5121 -19.8505 -1.65059 -17.8716 28.9599 -13.4379 -0.946565 -11.3508 16.2641 TIMING: 2345400 CPU: 7486.48, 0.00314485/step Wall: 7486.48, 0.00314485/step, 2.31897 hours remaining, 239.527344 MB of memory in use. ENERGY: 2345400 4027.9858 20400.5592 14448.0811 244.5478 -203749.3899 2873.6964 0.0000 0.0000 52396.6538 -109357.8659 301.1243 -161754.5197 -108982.8719 299.9863 122.5403 149.1189 760427.2585 0.1645 0.2373 PRESSURE: 2345600 -293.791 10.8684 -205.022 10.8694 108.276 32.1089 -205.021 32.1098 -184.789 GPRESSURE: 2345600 -310.446 -0.647609 -282.458 -5.20911 217.283 -9.88246 -88.19 198.437 -177.971 PRESSAVG: 2345600 -86.9059 -30.1918 -7.14748 -30.1919 86.8138 65.7538 -7.14749 65.7539 -26.6083 GPRESSAVG: 2345600 -85.1264 -27.4351 -7.4474 -32.1281 86.9366 65.2448 -6.46731 64.9641 -28.3296 TIMING: 2345600 CPU: 7487.1, 0.00312711/step Wall: 7487.1, 0.00312711/step, 2.30572 hours remaining, 239.527344 MB of memory in use. ENERGY: 2345600 4026.2591 20500.7296 14497.8453 261.3881 -203416.6141 2645.6763 0.0000 0.0000 52210.7840 -109273.9316 300.0561 -161484.7156 -108908.4198 299.6055 -123.4347 -90.3784 760879.8929 -8.9001 -8.8398 PRESSURE: 2345800 9.38879 -94.8359 35.726 -94.8363 -22.0598 -131.836 35.7263 -131.836 -151.15 GPRESSURE: 2345800 29.2378 -52.3884 -23.7447 -27.3357 85.5363 -240.392 49.0385 -74.4672 -176.253 PRESSAVG: 2345800 -20.3582 -0.899894 -10.8939 -0.899898 47.5032 28.0973 -10.8939 28.0972 14.4323 GPRESSAVG: 2345800 -20.9126 -2.17485 -11.2118 0.162329 48.1422 30.1817 -11.6893 27.1057 14.0968 TIMING: 2345800 CPU: 7487.73, 0.00313895/step Wall: 7487.73, 0.00313895/step, 2.31428 hours remaining, 239.527344 MB of memory in use. ENERGY: 2345800 4025.9735 20382.5907 14512.1792 235.4509 -203300.3606 2660.4585 0.0000 0.0000 52362.1035 -109121.6041 300.9257 -161483.7077 -108753.6284 300.3857 -54.6068 -20.4930 761704.9682 13.8591 13.7755 PRESSURE: 2346000 189.181 -52.1531 62.4712 -52.1534 215.459 8.19024 62.4706 8.19054 -35.1686 GPRESSURE: 2346000 280.475 -25.6099 99.8012 8.76651 203.595 12.0962 -21.4024 -37.6316 -38.7795 PRESSAVG: 2346000 6.5544 38.8762 6.97987 38.8762 29.865 21.4146 6.97985 21.4145 8.77227 GPRESSAVG: 2346000 5.78576 38.3829 5.76338 39.8459 28.5928 20.4272 4.55247 22.1734 10.2557 TIMING: 2346000 CPU: 7488.36, 0.00313469/step Wall: 7488.36, 0.00313469/step, 2.31096 hours remaining, 239.527344 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: 2346000 3991.7573 20585.5928 14493.1213 232.1558 -203669.6306 2736.0982 0.0000 0.0000 52356.9554 -109273.9498 300.8961 -161630.9052 -108904.3861 300.4254 123.1569 148.4303 760460.7670 15.0639 14.8781 PRESSURE: 2346200 40.478 -153.687 -27.2695 -153.687 203.831 97.4176 -27.2698 97.4179 311.623 GPRESSURE: 2346200 63.0398 -137.598 -38.717 -71.5429 184.46 153.691 -28.0607 -11.4664 353.389 PRESSAVG: 2346200 5.82736 -3.67818 -3.42646 -3.67822 3.57318 43.1313 -3.4265 43.1313 -20.9219 GPRESSAVG: 2346200 6.9873 -3.03844 -2.86872 -4.21041 2.96478 42.2445 0.185576 42.5698 -21.3099 TIMING: 2346200 CPU: 7488.98, 0.00313459/step Wall: 7488.98, 0.00313459/step, 2.31072 hours remaining, 239.527344 MB of memory in use. ENERGY: 2346200 3986.1180 20639.4979 14564.9768 246.3801 -203864.9149 2955.7181 0.0000 0.0000 52244.5391 -109227.6848 300.2501 -161472.2239 -108868.7352 300.2438 185.3107 200.2961 761407.4523 -3.8405 -3.7859 PRESSURE: 2346400 -4.7336 -110.987 -166.361 -110.987 -66.0453 -42.0362 -166.361 -42.0361 38.8871 GPRESSURE: 2346400 54.0567 -216.573 -166.758 42.5572 -42.1501 -36.7987 -138.813 -53.1072 33.9936 PRESSAVG: 2346400 -41.9968 -40.7604 -16.5177 -40.7604 20.6923 1.30743 -16.5177 1.30744 -1.91603 GPRESSAVG: 2346400 -44.0044 -41.3451 -16.4291 -39.7556 22.2448 2.42944 -18.3439 0.11167 -1.45224 TIMING: 2346400 CPU: 7489.61, 0.00312799/step Wall: 7489.61, 0.00312799/step, 2.30568 hours remaining, 239.527344 MB of memory in use. ENERGY: 2346400 4001.7487 20552.0483 14472.8256 236.4235 -203568.3893 2780.1182 0.0000 0.0000 52249.2196 -109276.0055 300.2770 -161525.2251 -108912.9866 300.1733 -10.6306 15.3000 762723.5940 -7.7402 -7.7373 PRESSURE: 2346600 -293.615 -158.428 86.3878 -158.429 -273.844 4.53161 86.3877 4.53269 -229.262 GPRESSURE: 2346600 -259.01 -94.1401 70.456 -192.99 -286.591 86.7902 -38.9426 -30.6264 -180.37 PRESSAVG: 2346600 10.5955 -23.7763 5.64153 -23.7762 24.7221 10.0243 5.64146 10.0243 -6.99796 GPRESSAVG: 2346600 10.6327 -23.3565 4.76433 -23.6734 23.7826 11.4667 7.31462 13.4263 -6.75957 TIMING: 2346600 CPU: 7490.24, 0.00313987/step Wall: 7490.24, 0.00313987/step, 2.31426 hours remaining, 239.527344 MB of memory in use. ENERGY: 2346600 4066.5588 20642.6910 14553.5164 254.3416 -203311.7927 2493.7053 0.0000 0.0000 52256.2637 -109044.7159 300.3175 -161300.9796 -108685.7123 300.3493 -265.5734 -241.9904 762363.8550 9.4399 9.2186 PRESSURE: 2346800 53.1903 -145.989 139.355 -145.989 -145.397 -17.6109 139.356 -17.6101 -328.368 GPRESSURE: 2346800 40.8897 -91.5797 44.3445 -196.57 -95.8597 11.0494 270.848 7.85882 -275.468 PRESSAVG: 2346800 54.9263 13.1894 1.09028 13.1895 -82.4418 23.9571 1.09034 23.9571 17.9136 GPRESSAVG: 2346800 55.9242 12.0696 1.74391 11.8683 -82.1983 22.0903 0.983975 22.9565 17.4246 TIMING: 2346800 CPU: 7490.86, 0.0031272/step Wall: 7490.86, 0.0031272/step, 2.30475 hours remaining, 239.527344 MB of memory in use. ENERGY: 2346800 4018.0156 20492.7170 14529.8535 222.7324 -203456.3028 2777.3284 0.0000 0.0000 52152.1709 -109263.4848 299.7192 -161415.6557 -108902.3571 299.9418 -140.1916 -110.1461 762669.5266 -3.2006 -2.9498 PRESSURE: 2347000 -43.3686 245.233 16.7385 245.233 5.73322 -286.319 16.7393 -286.32 -7.31179 GPRESSURE: 2347000 -17.2721 156.483 3.51732 195.032 163.358 -210.043 8.38631 -248.359 -119.107 PRESSAVG: 2347000 -30.9546 0.686305 1.54562 0.686369 -27.2103 -1.3402 1.54564 -1.34018 5.28083 GPRESSAVG: 2347000 -30.7516 0.772059 2.58105 0.0445713 -26.879 -1.12272 2.7194 -0.338914 4.80705 TIMING: 2347000 CPU: 7491.49, 0.0031307/step Wall: 7491.49, 0.0031307/step, 2.30715 hours remaining, 239.527344 MB of memory in use. ENERGY: 2347000 3912.8216 20547.6175 14453.6528 244.0184 -203552.1971 2821.6331 0.0000 0.0000 52113.4308 -109459.0229 299.4966 -161572.4538 -109083.1114 299.3261 -14.9824 8.9929 762690.5634 -17.6280 -17.6079 PRESSURE: 2347200 178.382 -67.3299 -128.563 -67.3301 -125.714 -234.057 -128.563 -234.057 366.419 GPRESSURE: 2347200 192.694 40.7219 -67.5897 -83.4447 -17.388 -174.037 -172.35 -290.067 324.961 PRESSAVG: 2347200 2.84918 21.497 -4.77662 21.4971 13.1925 -9.01122 -4.77658 -9.01122 -19.1378 GPRESSAVG: 2347200 3.34818 21.7149 -5.08543 22.2509 13.2117 -8.94838 -4.80299 -10.9208 -19.2116 TIMING: 2347200 CPU: 7492.12, 0.00313099/step Wall: 7492.12, 0.00313099/step, 2.30719 hours remaining, 239.527344 MB of memory in use. ENERGY: 2347200 3999.3230 20552.2433 14448.3219 243.6912 -204072.0426 3348.2152 0.0000 0.0000 51937.3894 -109542.8587 298.4849 -161480.2481 -109179.8696 299.1677 139.6955 166.7555 762198.3435 -1.0321 -0.8839 PRESSURE: 2347400 -110.203 -47.6597 -98.53 -47.6588 365.824 95.3084 -98.5292 95.3086 -79.0802 GPRESSURE: 2347400 -33.3346 -55.1608 -164.982 -25.7799 366.606 83.0768 -75.1318 221.758 -72.3886 PRESSAVG: 2347400 -12.721 14.3551 26.2364 14.3551 18.4264 -42.9191 26.2364 -42.9191 25.9454 GPRESSAVG: 2347400 -13.4476 14.1046 26.4278 16.3056 18.3001 -42.9152 24.5047 -43.293 26.4999 TIMING: 2347400 CPU: 7492.75, 0.00315241/step Wall: 7492.75, 0.00315241/step, 2.3228 hours remaining, 239.527344 MB of memory in use. ENERGY: 2347400 3998.4421 20481.8085 14426.0526 240.3164 -203723.6347 2967.8500 0.0000 0.0000 52088.7627 -109520.4023 299.3548 -161609.1651 -109167.9964 298.7642 58.8471 86.9608 762791.1875 10.5503 10.4508 PRESSURE: 2347600 -292.653 -171.781 90.4154 -171.781 -18.6526 -92.7984 90.4153 -92.798 -300.279 GPRESSURE: 2347600 -321.009 -97.3797 115.954 -204.128 80.8507 -43.9213 138.673 -31.5947 -280.61 PRESSAVG: 2347600 -44.3451 -19.1444 -26.1819 -19.1444 29.412 0.338644 -26.1819 0.338683 24.9673 GPRESSAVG: 2347600 -44.0941 -15.8923 -26.4299 -22.6105 29.577 0.750241 -24.7466 0.500795 24.8444 TIMING: 2347600 CPU: 7493.38, 0.00315795/step Wall: 7493.38, 0.00315794/step, 2.3267 hours remaining, 239.527344 MB of memory in use. ENERGY: 2347600 4019.5447 20538.0251 14471.3325 249.4223 -203416.6778 2576.6035 0.0000 0.0000 51986.8604 -109574.8892 298.7692 -161561.7496 -109211.3312 299.3619 -203.8615 -173.5893 763526.6958 3.3448 3.4424 PRESSURE: 2347800 -187.881 -23.1995 14.5027 -23.1991 -275.713 66.3808 14.5023 66.3811 -120.151 GPRESSURE: 2347800 -148.413 -46.5195 -3.43146 3.65845 -284.473 95.6573 -12.8296 -10.977 -63.0164 PRESSAVG: 2347800 -12.8894 -2.89622 16.586 -2.89618 42.0989 5.18947 16.586 5.18941 7.47025 GPRESSAVG: 2347800 -14.4952 -3.57561 16.1261 -0.468992 43.528 3.94901 14.238 5.36795 7.86815 TIMING: 2347800 CPU: 7494.01, 0.00315648/step Wall: 7494.01, 0.00315648/step, 2.32545 hours remaining, 239.527344 MB of memory in use. ENERGY: 2347800 3998.9140 20579.5259 14406.1424 244.7322 -202974.2096 2339.5393 0.0000 0.0000 51735.7406 -109669.6152 297.3260 -161405.3558 -109319.6309 299.0966 -194.5814 -165.3006 764970.5420 12.2266 12.3003 PRESSURE: 2348000 115.444 -128.088 90.2833 -128.089 -192.228 147.225 90.2822 147.226 -270.413 GPRESSURE: 2348000 125.147 -153.975 104.682 -171.051 -127.197 79.3979 35.7864 59.189 -254.206 PRESSAVG: 2348000 -50.539 -1.48777 -19.043 -1.48776 38.3248 8.33719 -19.043 8.33718 2.95251 GPRESSAVG: 2348000 -50.2285 -3.19277 -18.3271 -3.15771 37.5431 8.37204 -18.7633 6.8054 3.53914 TIMING: 2348000 CPU: 7494.64, 0.00316334/step Wall: 7494.64, 0.00316334/step, 2.33033 hours remaining, 239.527344 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: 2348000 3950.9838 20474.6344 14457.1170 223.5666 -203611.6046 2841.7342 0.0000 0.0000 51828.5601 -109835.0085 297.8594 -161663.5686 -109478.9981 298.7344 -115.7323 -85.4185 763467.9066 -3.0872 -3.0488 PRESSURE: 2348200 109.206 -302.193 38.8951 -302.192 -65.1571 95.5627 38.8954 95.5621 -117.998 GPRESSURE: 2348200 134.404 -244.648 60.1488 -225.304 -61.811 40.5525 -73.797 57.4919 -65.6816 PRESSAVG: 2348200 7.66785 -22.2977 5.89856 -22.2978 36.8708 -14.5715 5.89855 -14.5714 2.83023 GPRESSAVG: 2348200 9.67064 -21.319 4.53893 -21.3787 35.3614 -11.9577 8.45039 -14.648 1.96115 TIMING: 2348200 CPU: 7495.27, 0.00316095/step Wall: 7495.27, 0.00316095/step, 2.32839 hours remaining, 239.527344 MB of memory in use. ENERGY: 2348200 4021.3408 20507.3183 14408.2501 229.3055 -203724.7813 2708.7234 0.0000 0.0000 51998.0051 -109851.8381 298.8333 -161849.8432 -109491.2003 298.4002 -24.6499 2.3038 761957.3019 15.7896 15.6644 LDB: ============= START OF LOAD BALANCING ============== 7507.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7507.73 LDB: =============== DONE WITH MIGRATION ================ 7507.73 LDB: ============= START OF LOAD BALANCING ============== 7508.04 LDB: Largest compute 7032 load 0.034751 is 17.8% of average load 0.195304 LDB: Average compute 0.004395 is 2.3% of average load 0.195304 LDB: TIME 7508.05 LOAD: AVG 0.195304 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 7508.05 LOAD: AVG 0.195304 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 7508.05 LOAD: AVG 0.195304 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 7508.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7508.05 PRESSURE: 2348400 -41.2996 -25.7206 -122.47 -25.7205 107.149 -196.306 -122.47 -196.307 151.759 GPRESSURE: 2348400 39.8878 -43.4349 -113.082 -60.3665 176.087 -212.631 -171.968 -263.818 87.1678 PRESSAVG: 2348400 -7.45575 -90.2904 -6.91651 -90.2904 -7.7894 43.759 -6.91653 43.759 14.8759 GPRESSAVG: 2348400 -8.2753 -90.2293 -7.0644 -90.9147 -6.39957 41.5756 -9.28381 45.6027 14.1491 TIMING: 2348400 CPU: 7495.92, 0.00322259/step Wall: 7495.92, 0.00322259/step, 2.37361 hours remaining, 240.039062 MB of memory in use. ENERGY: 2348400 4011.0359 20410.5015 14401.8009 223.1136 -203468.0286 2465.2096 0.0000 0.0000 51932.2842 -110024.0829 298.4556 -161956.3670 -109659.1437 298.2242 72.5360 101.0475 760846.8043 -0.1231 -0.1752 PRESSURE: 2348600 180.966 -83.1187 -69.3316 -83.1182 84.881 33.4806 -69.332 33.4802 175.877 GPRESSURE: 2348600 178.898 -89.3669 -70.3942 -72.6007 124.775 15.841 -11.4255 257.577 232.855 PRESSAVG: 2348600 -3.93446 -34.8331 -56.9507 -34.8331 49.9252 7.25551 -56.9506 7.25546 -4.75769 GPRESSAVG: 2348600 -4.86085 -35.903 -56.0614 -34.6565 49.8259 5.66454 -55.2317 8.39364 -3.53666 TIMING: 2348600 CPU: 7496.55, 0.00313843/step Wall: 7496.55, 0.00313843/step, 2.31145 hours remaining, 240.039062 MB of memory in use. ENERGY: 2348600 3941.8059 20383.6668 14405.4874 245.3572 -203525.9736 2681.6526 0.0000 0.0000 52012.3136 -109855.6903 298.9155 -161868.0038 -109500.5191 298.3634 147.2414 178.8423 761923.3679 13.7443 13.8095 PRESSURE: 2348800 185.127 -262.805 53.619 -262.805 204.116 78.2903 53.6196 78.2905 -409.723 GPRESSURE: 2348800 275.555 -212.058 56.9502 -145.518 169.683 87.0916 -53.6579 -0.485814 -362.356 PRESSAVG: 2348800 -51.8559 1.09937 -49.8283 1.09934 73.031 -4.72699 -49.8284 -4.7271 2.0872 GPRESSAVG: 2348800 -50.0559 1.13002 -49.84 2.06405 71.1506 -2.68651 -49.2802 -6.7413 2.58858 TIMING: 2348800 CPU: 7497.18, 0.0031746/step Wall: 7497.18, 0.0031746/step, 2.33791 hours remaining, 240.039062 MB of memory in use. ENERGY: 2348800 3915.6395 20510.6611 14524.2922 246.3796 -203085.6582 2438.5796 0.0000 0.0000 51754.5705 -109695.5355 297.4342 -161450.1061 -109337.8929 298.7706 -6.8268 27.6270 761275.7270 7.7541 7.8944 PRESSURE: 2349000 -38.1946 121.946 103.966 121.946 -33.1533 107.721 103.966 107.722 383.186 GPRESSURE: 2349000 31.0161 104.992 42.2367 108.275 44.4029 139.758 -1.40073 36.2226 323.383 PRESSAVG: 2349000 -83.0205 -27.2278 -1.73423 -27.2279 50.3029 -1.57965 -1.73427 -1.57975 23.0937 GPRESSAVG: 2349000 -84.7952 -27.5926 -1.46718 -27.1066 52.0235 -1.94998 -1.56957 -0.13747 22.6445 TIMING: 2349000 CPU: 7497.81, 0.00314029/step Wall: 7497.81, 0.00314029/step, 2.31247 hours remaining, 240.039062 MB of memory in use. ENERGY: 2349000 3942.0570 20358.1630 14451.3207 239.9628 -203522.6046 2903.0700 0.0000 0.0000 51713.5073 -109914.5237 297.1982 -161628.0310 -109557.6012 298.2407 103.9462 132.9341 761701.8466 -3.2080 -3.3757 PRESSURE: 2349200 -186.549 135.202 74.8447 135.203 -341.262 20.8911 74.8446 20.8921 31.9845 GPRESSURE: 2349200 -237.963 100.075 124.722 116.056 -208.88 -36.7517 40.453 -137.322 34.6771 PRESSAVG: 2349200 -60.7178 2.11758 -37.1447 2.11755 52.645 18.9709 -37.1447 18.971 -8.18735 GPRESSAVG: 2349200 -62.0301 2.85767 -38.7244 2.73069 54.2672 19.5534 -38.3137 17.0553 -8.93868 TIMING: 2349200 CPU: 7498.44, 0.00315494/step Wall: 7498.44, 0.00315494/step, 2.32309 hours remaining, 240.039062 MB of memory in use. ENERGY: 2349200 3971.0877 20410.2711 14474.9924 243.5891 -203463.3308 2557.5011 0.0000 0.0000 51742.2592 -110063.6302 297.3635 -161805.8894 -109706.5888 297.8194 -165.2757 -137.3885 762605.7864 -5.4200 -5.5672 PRESSURE: 2349400 -207.526 237.718 -214.075 237.718 -417.216 47.5077 -214.076 47.507 -95.0301 GPRESSURE: 2349400 -132.074 263.628 -201.009 252.962 -418.47 4.41601 -153.162 209.638 -83.5186 PRESSAVG: 2349400 -4.90718 21.6819 -60.6301 21.6819 23.7743 29.9464 -60.6301 29.9464 3.18297 GPRESSAVG: 2349400 -2.8009 23.6544 -58.7679 20.2542 21.1937 29.7154 -61.6492 31.2963 3.42002 TIMING: 2349400 CPU: 7499.07, 0.00314861/step Wall: 7499.07, 0.00314861/step, 2.31825 hours remaining, 240.039062 MB of memory in use. ENERGY: 2349400 4049.6613 20471.7686 14448.8495 243.9016 -203334.1985 2486.3865 0.0000 0.0000 51664.8659 -109968.7651 296.9187 -161633.6310 -109618.2394 298.2364 -239.9240 -211.3541 761810.7959 7.3500 7.2709 PRESSURE: 2349600 -48.061 179.918 -303.71 179.918 -335.313 -93.1725 -303.71 -93.1731 -183.219 GPRESSURE: 2349600 -9.44713 122.305 -418.944 83.194 -278.654 -146.977 -311.535 -187.244 -207.269 PRESSAVG: 2349600 21.0873 18.2584 -24.1892 18.2584 32.8101 25.8279 -24.1892 25.8279 -20.3699 GPRESSAVG: 2349600 20.1576 17.1266 -23.7538 17.9908 33.2763 24.1459 -23.6586 25.399 -20.1229 TIMING: 2349600 CPU: 7499.7, 0.00315239/step Wall: 7499.7, 0.00315239/step, 2.32086 hours remaining, 240.039062 MB of memory in use. ENERGY: 2349600 3990.8051 20570.2697 14483.4182 236.2603 -203449.6380 2385.0008 0.0000 0.0000 51881.1561 -109902.7278 298.1617 -161783.8839 -109544.5796 298.5279 -188.8643 -165.1232 762286.6567 11.1758 11.1037 PRESSURE: 2349800 -443.669 154.508 83.8877 154.508 -241.124 -243.042 83.8884 -243.043 -225.527 GPRESSURE: 2349800 -352.813 174.37 36.6581 83.5964 -309.339 -118.402 157.952 -171.507 -158.393 PRESSAVG: 2349800 -45.547 17.8733 -34.8497 17.8734 22.6877 -30.4455 -34.8498 -30.4456 -2.00042 GPRESSAVG: 2349800 -45.723 17.8819 -35.7485 17.9686 22.5612 -30.2375 -34.196 -31.3284 -1.80107 TIMING: 2349800 CPU: 7500.33, 0.00315741/step Wall: 7500.33, 0.00315741/step, 2.32438 hours remaining, 240.039062 MB of memory in use. ENERGY: 2349800 4060.2544 20363.4622 14586.4538 243.4756 -203262.2848 2344.1915 0.0000 0.0000 52083.6162 -109580.8311 299.3253 -161664.4473 -109232.3652 298.9432 -303.4402 -273.5150 760420.3308 -8.2866 -8.3210 PRESSURE: 2350000 -172.238 -25.0831 28.2867 -25.0837 102.756 6.8151 28.2873 6.81428 48.1456 GPRESSURE: 2350000 -160.186 32.5588 -35.823 -144.879 204.557 59.3109 -60.5809 -87.3624 25.8998 PRESSAVG: 2350000 -44.6149 -36.6728 16.9249 -36.6728 42.8128 -23.784 16.9249 -23.784 -30.2365 GPRESSAVG: 2350000 -45.4429 -38.258 19.122 -35.6292 42.6774 -22.582 16.5025 -22.6448 -29.0555 TIMING: 2350000 CPU: 7500.96, 0.00314611/step Wall: 7500.96, 0.00314611/step, 2.31589 hours remaining, 240.039062 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: 2350000 3945.1641 20587.0277 14478.5048 250.3096 -203439.1493 2556.1260 0.0000 0.0000 52257.9768 -109364.0404 300.3273 -161622.0172 -108997.8804 299.2284 -7.1120 23.4238 761270.2287 -10.6795 -10.6070 PRESSURE: 2350200 -393.848 68.1921 -167.187 68.1921 30.1635 108.234 -167.188 108.234 139.417 GPRESSURE: 2350200 -348.979 33.2039 -214.62 -74.6607 84.4346 60.0582 -111.185 135.652 117.128 PRESSAVG: 2350200 -25.6919 -2.34978 -26.9034 -2.34974 19.1874 45.9281 -26.9034 45.928 23.5094 GPRESSAVG: 2350200 -24.6123 -0.0168245 -28.5884 -3.11486 20.4147 44.872 -27.8194 44.8218 21.7716 TIMING: 2350200 CPU: 7501.59, 0.00316429/step Wall: 7501.59, 0.00316429/step, 2.32909 hours remaining, 240.039062 MB of memory in use. ENERGY: 2350200 3975.3126 20586.7669 14450.6176 242.2676 -203228.5274 2566.4190 0.0000 0.0000 51949.5021 -109457.6417 298.5545 -161407.1438 -109083.1990 299.0756 -74.7559 -49.1387 762929.9020 5.6683 5.8580 PRESSURE: 2350400 173.468 -137.6 -181.077 -137.599 110.041 21.2448 -181.077 21.2445 145.286 GPRESSURE: 2350400 213.48 -172.836 -105.523 -178.691 92.5777 34.3337 -101.525 -53.8905 184.621 PRESSAVG: 2350400 48.6152 0.834681 -34.0555 0.834649 -27.1729 13.482 -34.0555 13.4821 -20.267 GPRESSAVG: 2350400 48.3674 1.02899 -33.7954 0.617703 -26.761 14.433 -30.8935 16.0733 -19.6359 TIMING: 2350400 CPU: 7502.23, 0.00316255/step Wall: 7502.23, 0.00316255/step, 2.32764 hours remaining, 240.039062 MB of memory in use. ENERGY: 2350400 4035.9819 20515.4322 14390.8319 247.9068 -203351.2707 2753.6059 0.0000 0.0000 51861.1872 -109546.3248 298.0470 -161407.5120 -109165.4721 298.1609 142.9315 163.5593 762561.6096 0.3918 0.6569 PRESSURE: 2350600 -431.844 -37.7789 -17.7454 -37.7779 -38.2808 -19.7929 -17.7448 -19.7943 -107.028 GPRESSURE: 2350600 -429.83 -115.629 15.7874 -140.461 -38.2063 -69.1952 -34.4711 -213.377 -15.5835 PRESSAVG: 2350600 2.48143 -29.0062 3.36607 -29.0063 -21.0672 42.2825 3.36605 42.2825 24.5988 GPRESSAVG: 2350600 2.35293 -30.2076 2.80409 -27.993 -20.8594 40.6597 1.38161 40.4378 24.9401 TIMING: 2350600 CPU: 7502.86, 0.00314667/step Wall: 7502.86, 0.00314667/step, 2.31578 hours remaining, 240.039062 MB of memory in use. ENERGY: 2350600 4059.2376 20468.4415 14416.0070 255.9011 -203551.3721 2809.1629 0.0000 0.0000 52070.7402 -109471.8819 299.2513 -161542.6220 -109102.1601 298.9183 -192.3841 -161.2065 764255.1229 2.0044 2.1445 PRESSURE: 2350800 -295.146 -39.2096 294.741 -39.2107 289.32 -174.369 294.741 -174.367 -232.179 GPRESSURE: 2350800 -204.908 9.13315 352.859 -52.5782 279.996 -184.999 278.467 -218.353 -208.92 PRESSAVG: 2350800 -20.0512 15.4471 16.8186 15.4472 -18.9555 -30.9527 16.8186 -30.9527 -1.19667 GPRESSAVG: 2350800 -20.1676 16.664 17.338 13.948 -18.3259 -30.9354 18.1792 -31.5977 -1.42284 TIMING: 2350800 CPU: 7503.49, 0.00315527/step Wall: 7503.49, 0.00315527/step, 2.32193 hours remaining, 240.039062 MB of memory in use. ENERGY: 2350800 4021.7630 20494.5205 14421.8621 234.0234 -203672.9156 2893.2536 0.0000 0.0000 52005.3756 -109602.1173 298.8756 -161607.4930 -109245.3331 299.1571 -79.3349 -44.6104 762562.7155 -13.4011 -13.3054 PRESSURE: 2351000 96.7393 -26.219 -3.45581 -26.22 177.589 230.179 -3.45559 230.178 197.975 GPRESSURE: 2351000 187.059 -134.952 96.3135 -76.5463 207.977 203.71 -19.6146 191.63 136.823 PRESSAVG: 2351000 -50.5779 31.409 -4.38514 31.409 77.0321 -20.0641 -4.38512 -20.064 20.1188 GPRESSAVG: 2351000 -49.4887 30.1373 -3.61655 32.7932 76.4017 -18.3553 -4.93018 -17.5118 19.4442 TIMING: 2351000 CPU: 7504.11, 0.00313889/step Wall: 7504.11, 0.00313889/step, 2.3097 hours remaining, 240.039062 MB of memory in use. ENERGY: 2351000 3952.7491 20519.7421 14404.5598 234.1105 -203637.0169 2580.0043 0.0000 0.0000 52381.0801 -109564.7711 301.0348 -161945.8512 -109195.1079 299.0637 157.4344 177.2866 760302.4366 15.5243 15.4524 PRESSURE: 2351200 -213.036 12.7089 -182.151 12.7094 87.3053 61.7728 -182.151 61.7725 143.98 GPRESSURE: 2351200 -91.7762 17.4537 -164.453 43.5284 46.205 142.024 -66.5846 25.7827 127.885 PRESSAVG: 2351200 -0.921981 -8.51235 29.3309 -8.51231 36.1016 18.0793 29.3309 18.0794 3.16202 GPRESSAVG: 2351200 -0.976952 -7.33375 27.6415 -10.9404 35.944 17.9662 28.6854 14.6477 3.67284 TIMING: 2351200 CPU: 7504.74, 0.00315339/step Wall: 7504.74, 0.00315339/step, 2.32019 hours remaining, 240.039062 MB of memory in use. ENERGY: 2351200 3981.6470 20517.0117 14426.3706 262.6203 -203456.3471 2510.0503 0.0000 0.0000 52277.5703 -109481.0769 300.4399 -161758.6472 -109110.3798 299.6507 6.0832 27.4379 761109.2615 12.7805 12.8800 PRESSURE: 2351400 -233.601 -238.334 260.795 -238.335 -40.7405 -144.407 260.795 -144.407 92.1938 GPRESSURE: 2351400 -212.384 -96.3892 147.832 -267.049 -41.6156 -143.369 252.944 -10.1261 137.142 PRESSAVG: 2351400 -32.4514 -2.25511 35.5518 -2.25513 15.2192 -28.4174 35.5518 -28.4173 -15.6121 GPRESSAVG: 2351400 -33.2459 -2.54598 35.4398 -0.988469 17.0996 -27.9293 35.6091 -26.5068 -16.7269 TIMING: 2351400 CPU: 7505.38, 0.003173/step Wall: 7505.38, 0.003173/step, 2.33445 hours remaining, 240.039062 MB of memory in use. ENERGY: 2351400 3949.5343 20456.6906 14464.8403 261.8219 -203340.6813 2496.7867 0.0000 0.0000 52272.6876 -109438.3200 300.4119 -161711.0075 -109066.6624 299.1637 -60.7158 -38.9527 760806.2252 -10.9481 -10.9578 PRESSURE: 2351600 215.472 228.498 -139.106 228.498 170.332 213.395 -139.105 213.395 153.256 GPRESSURE: 2351600 295.881 249.473 -115.497 181.411 139.331 152.476 -121.186 240.882 204.199 PRESSAVG: 2351600 -9.32063 -29.7474 16.3099 -29.7473 19.6874 -26.8917 16.3099 -26.8917 -3.31059 GPRESSAVG: 2351600 -9.90819 -30.9046 14.6051 -28.3926 18.6397 -27.3038 15.5592 -26.2761 -1.7142 TIMING: 2351600 CPU: 7506.01, 0.00313255/step Wall: 7506.01, 0.00313255/step, 2.30451 hours remaining, 240.039062 MB of memory in use. ENERGY: 2351600 4002.2840 20360.6616 14444.8161 254.3774 -203303.4801 2652.5499 0.0000 0.0000 52075.6937 -109513.0975 299.2797 -161588.7912 -109151.3135 299.4667 179.6869 213.1372 760733.9116 2.3521 2.3391 PRESSURE: 2351800 10.4616 273.336 76.7225 273.336 -305.906 171.647 76.7223 171.647 588.453 GPRESSURE: 2351800 59.8742 152.407 42.4711 267.691 -271.187 172.827 20.3643 139.349 589.79 PRESSAVG: 2351800 -38.6892 -25.5187 22.9974 -25.5187 31.5243 13.6884 22.9974 13.6884 8.21545 GPRESSAVG: 2351800 -36.7779 -24.7727 22.8572 -25.1451 30.6989 13.1339 24.253 13.9721 6.74865 TIMING: 2351800 CPU: 7506.64, 0.0031711/step Wall: 7506.64, 0.0031711/step, 2.3327 hours remaining, 240.039062 MB of memory in use. ENERGY: 2351800 3951.4519 20421.1994 14461.7516 229.1389 -203137.2667 2461.3968 0.0000 0.0000 52083.0007 -109529.3274 299.3217 -161612.3281 -109171.0094 298.7850 97.6695 126.1590 762412.7727 0.3502 0.2232 PRESSURE: 2352000 83.7406 0.791342 -49.2979 0.791859 24.083 197.03 -49.2979 197.029 -345.377 GPRESSURE: 2352000 80.7832 36.8176 53.286 -90.7014 53.5195 351.341 -9.34914 129.543 -285.601 PRESSAVG: 2352000 9.81301 -32.4631 -15.8613 -32.4631 10.4451 26.9648 -15.8614 26.9648 -24.2394 GPRESSAVG: 2352000 8.94973 -32.3539 -14.143 -35.7486 10.6778 27.4242 -16.2947 26.4122 -24.1726 TIMING: 2352000 CPU: 7507.27, 0.00317204/step Wall: 7507.27, 0.00317204/step, 2.33321 hours remaining, 240.039062 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: 2352000 3992.1046 20425.0443 14475.4810 262.1135 -202834.6132 2361.6569 0.0000 0.0000 51931.3211 -109386.8917 298.4500 -161318.2128 -109033.2357 298.9525 -79.1846 -50.4327 761562.8864 -1.3271 -1.5150 PRESSURE: 2352200 22.563 -45.926 81.552 -45.927 24.9746 64.1547 81.5525 64.1544 261.111 GPRESSURE: 2352200 7.4009 70.9838 81.8834 -23.7393 139.065 -3.89431 6.29046 158.758 241.3 PRESSAVG: 2352200 -39.9403 -29.9475 35.2692 -29.9475 60.8646 -29.1791 35.2692 -29.1792 12.3775 GPRESSAVG: 2352200 -40.5413 -28.3103 35.2794 -28.3067 60.7977 -28.9709 35.8701 -29.2468 12.6604 TIMING: 2352200 CPU: 7507.91, 0.00316806/step Wall: 7507.91, 0.00316806/step, 2.33011 hours remaining, 240.039062 MB of memory in use. ENERGY: 2352200 3877.0586 20536.2713 14443.3025 239.7456 -203296.3040 2459.7063 0.0000 0.0000 52184.1336 -109556.0862 299.9029 -161740.2198 -109192.3765 299.2305 102.8829 129.2551 761889.2945 11.1006 10.9722 LDB: ============= START OF LOAD BALANCING ============== 7520.36 LDB: ============== END OF LOAD BALANCING =============== 7520.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7520.36 LDB: ============= START OF LOAD BALANCING ============== 7520.68 LDB: Largest compute 7049 load 0.034856 is 17.8% of average load 0.195321 LDB: Average compute 0.004397 is 2.3% of average load 0.195321 LDB: TIME 7520.68 LOAD: AVG 0.195321 MAX 0.211417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 7520.68 LOAD: AVG 0.195321 MAX 0.211417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: TIME 7520.68 LOAD: AVG 0.195321 MAX 0.211417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: ============== END OF LOAD BALANCING =============== 7520.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7520.69 PRESSURE: 2352400 -185.057 95.8968 110.893 95.8958 42.6276 -128.659 110.894 -128.66 195.564 GPRESSURE: 2352400 -22.5349 174.87 116.171 123.993 -101.257 -269.435 63.1846 4.10651 256.525 PRESSAVG: 2352400 38.1121 -11.0994 16.7803 -11.0993 -3.29858 -28.4046 16.7803 -28.4046 2.23035 GPRESSAVG: 2352400 39.1914 -9.96488 14.8126 -12.2346 -4.30868 -30.7676 17.1723 -26.934 2.33378 TIMING: 2352400 CPU: 7508.55, 0.00322979/step Wall: 7508.55, 0.00322979/step, 2.37533 hours remaining, 239.835938 MB of memory in use. ENERGY: 2352400 3906.0686 20475.9975 14459.5095 273.1036 -202999.5604 2365.6773 0.0000 0.0000 52202.1603 -109317.0436 300.0065 -161519.2039 -108962.5870 299.4480 17.7117 44.2444 762243.5016 12.3479 12.4055 PRESSURE: 2352600 -49.4378 40.0308 -118.36 40.0303 -208.989 58.9541 -118.361 58.9557 -101.38 GPRESSURE: 2352600 -37.4963 -47.9412 -156.525 -70.1477 -131.241 57.4692 -65.2507 -3.31866 -116.853 PRESSAVG: 2352600 -12.5106 -9.55773 -8.73906 -9.55774 -18.0963 -18.1652 -8.73903 -18.1652 1.04378 GPRESSAVG: 2352600 -12.9282 -11.5775 -6.16173 -7.93284 -17.9555 -16.372 -8.52088 -18.8684 1.35115 TIMING: 2352600 CPU: 7509.18, 0.00315005/step Wall: 7509.18, 0.00315005/step, 2.31651 hours remaining, 240.039062 MB of memory in use. ENERGY: 2352600 3972.0795 20499.2340 14468.1242 276.6404 -203098.2365 2531.1104 0.0000 0.0000 52189.4412 -109161.6068 299.9334 -161351.0480 -108805.5647 299.9901 -119.9354 -95.1968 762277.2789 -9.8544 -9.8442 PRESSURE: 2352800 -23.0134 -146.877 25.6504 -146.878 -302.385 205.242 25.6502 205.242 197.3 GPRESSURE: 2352800 11.2339 42.4008 -7.50626 -40.1735 -313.913 161.928 6.68651 249.827 254.493 PRESSAVG: 2352800 23.886 -6.22669 30.6269 -6.22667 28.4908 -31.1095 30.6269 -31.1095 0.603323 GPRESSAVG: 2352800 23.1723 -5.00757 30.7653 -8.25561 28.9218 -31.5636 28.6336 -30.7633 0.55567 TIMING: 2352800 CPU: 7509.82, 0.00315877/step Wall: 7509.82, 0.00315877/step, 2.32275 hours remaining, 240.039062 MB of memory in use. ENERGY: 2352800 3935.5676 20472.4189 14510.5741 244.0177 -202969.8466 2383.3562 0.0000 0.0000 52159.1108 -109264.8014 299.7591 -161423.9122 -108900.1697 299.9475 -42.6997 -16.0619 762646.9965 17.6600 17.5499 PRESSURE: 2353000 -18.0209 -50.7136 -155.494 -50.7134 191.456 -201.309 -155.494 -201.309 179.421 GPRESSURE: 2353000 78.9077 -19.1997 -17.9365 -157.673 113.177 -225.265 -101.445 -119.784 240.134 PRESSAVG: 2353000 55.0298 -25.5854 -6.69283 -25.5854 -30.8272 11.378 -6.69285 11.378 1.243 GPRESSAVG: 2353000 54.655 -25.9802 -6.57066 -23.0754 -30.3621 11.2156 -4.32424 10.1607 1.40334 TIMING: 2353000 CPU: 7510.44, 0.00314281/step Wall: 7510.44, 0.00314281/step, 2.31084 hours remaining, 240.039062 MB of memory in use. ENERGY: 2353000 3949.4252 20541.3689 14519.7998 243.5781 -203201.0457 2595.0998 0.0000 0.0000 52143.0149 -109208.7590 299.6666 -161351.7739 -108844.4124 299.7090 117.6187 144.0731 762447.3760 8.4819 8.5654 PRESSURE: 2353200 95.6286 105.544 159.41 105.544 -358.718 99.6725 159.41 99.6731 -64.9171 GPRESSURE: 2353200 135.188 10.8588 121.546 163.357 -293.5 45.5519 73.1902 48.5112 -75.3888 PRESSAVG: 2353200 22.1328 12.8195 24.8393 12.8195 2.13826 -43.9076 24.8393 -43.9075 -29.2943 GPRESSAVG: 2353200 23.1895 12.1369 23.8111 12.2513 1.276 -43.9896 23.9683 -43.1308 -29.1582 TIMING: 2353200 CPU: 7511.08, 0.00317374/step Wall: 7511.08, 0.00317374/step, 2.3334 hours remaining, 240.039062 MB of memory in use. ENERGY: 2353200 3988.8482 20479.4259 14520.2668 239.3701 -203126.6894 2679.4450 0.0000 0.0000 52052.7205 -109166.6130 299.1477 -161219.3335 -108802.0897 299.4809 -109.3355 -77.9002 761572.0860 -1.6744 -1.5642 PRESSURE: 2353400 -3.02321 -233.544 55.8887 -233.544 97.994 189.319 55.8892 189.319 -420.518 GPRESSURE: 2353400 88.6373 -242.171 130.655 -118.302 68.4592 225.455 -33.6683 156.769 -374.388 PRESSAVG: 2353400 19.3653 1.05571 9.73167 1.05564 5.49872 -12.9426 9.73164 -12.9426 -2.33675 GPRESSAVG: 2353400 19.7817 2.49521 10.079 0.0343684 5.68879 -11.9271 9.35061 -12.9251 -2.90957 TIMING: 2353400 CPU: 7511.71, 0.00315998/step Wall: 7511.71, 0.00315998/step, 2.32312 hours remaining, 240.039062 MB of memory in use. ENERGY: 2353400 4023.4109 20458.6407 14447.6260 251.7907 -203260.1459 2459.4893 0.0000 0.0000 52438.1719 -109181.0165 301.3629 -161619.1883 -108816.3619 300.1793 -108.5157 -72.4303 760682.9475 7.5091 7.5203 PRESSURE: 2353600 135.151 -57.2395 50.6954 -57.2392 -42.8741 92.5843 50.6957 92.584 -67.3088 GPRESSURE: 2353600 138.356 -63.7429 63.6895 -104.475 40.8609 62.7005 33.738 -15.5037 -67.5702 PRESSAVG: 2353600 17.6161 6.97922 16.2519 6.97923 -5.83186 1.18855 16.252 1.1886 -5.90542 GPRESSAVG: 2353600 15.2523 6.77695 16.3479 7.05999 -4.55065 1.37511 16.6965 1.5833 -5.32659 TIMING: 2353600 CPU: 7512.34, 0.0031649/step Wall: 7512.34, 0.0031649/step, 2.32655 hours remaining, 240.039062 MB of memory in use. ENERGY: 2353600 4007.8859 20557.6994 14475.0064 249.4814 -203125.9499 2366.8229 0.0000 0.0000 52178.5285 -109290.5255 299.8707 -161469.0540 -108930.7639 300.1780 8.3225 37.2157 760486.9209 1.9596 1.7917 PRESSURE: 2353800 -111.462 -112.379 119.064 -112.379 247.417 -167.513 119.065 -167.512 -38.9694 GPRESSURE: 2353800 -91.5798 -163.106 9.50634 -135.073 318.281 -159.671 131.7 -176.723 -39.75 PRESSAVG: 2353800 45.4829 3.66736 -4.14075 3.66737 -14.3424 -68.8337 -4.14081 -68.8337 -14.1254 GPRESSAVG: 2353800 46.3586 0.887695 -4.50383 5.20212 -14.836 -69.1031 -5.13882 -70.8938 -14.5854 TIMING: 2353800 CPU: 7512.98, 0.00318604/step Wall: 7512.98, 0.00318604/step, 2.34191 hours remaining, 240.039062 MB of memory in use. ENERGY: 2353800 3960.7098 20443.1612 14495.9435 246.6231 -203516.4176 2828.5028 0.0000 0.0000 52218.7615 -109322.7157 300.1019 -161541.4772 -108965.7792 299.8905 32.3283 62.3171 761863.4936 5.6717 5.6457 PRESSURE: 2354000 -377.065 -87.4199 -2.13353 -87.4199 24.3942 240.502 -2.13445 240.503 -267.604 GPRESSURE: 2354000 -379.8 -71.7826 -67.7224 -30.7179 24.846 261.016 -11.5119 247.771 -196.818 PRESSAVG: 2354000 -53.1323 8.76942 55.66 8.76942 -31.0698 42.1042 55.6601 42.1042 6.53335 GPRESSAVG: 2354000 -52.4813 9.46952 55.3364 6.55384 -31.1787 42.7764 57.7667 42.9945 5.32758 TIMING: 2354000 CPU: 7513.62, 0.00319299/step Wall: 7513.62, 0.00319299/step, 2.34685 hours remaining, 240.039062 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: 2354000 4086.0832 20683.1090 14486.4968 240.0052 -203669.7098 2948.6085 0.0000 0.0000 51965.5601 -109259.8471 298.6468 -161225.4072 -108893.7479 299.5567 -206.7585 -183.9242 760149.9152 -25.8896 -26.1108 PRESSURE: 2354200 -180.543 -246.151 -209.439 -246.151 -323.773 117.963 -209.438 117.961 -171.454 GPRESSURE: 2354200 -88.1061 -288.007 -346.198 -289.554 -378.639 111.411 -82.3542 94.2214 -126.997 PRESSAVG: 2354200 32.3704 -57.9394 19.6662 -57.9394 19.8388 15.8858 19.6662 15.8858 -5.75355 GPRESSAVG: 2354200 31.7996 -58.3766 21.7255 -55.826 18.5669 15.2159 19.1426 15.7022 -4.45445 TIMING: 2354200 CPU: 7514.26, 0.00318265/step Wall: 7514.26, 0.00318265/step, 2.33907 hours remaining, 240.039062 MB of memory in use. ENERGY: 2354200 3989.8805 20638.0560 14547.5887 247.0350 -203357.6960 2639.3430 0.0000 0.0000 52061.4331 -109234.3597 299.1978 -161295.7928 -108875.1038 300.0968 -225.2566 -197.9140 762109.6298 15.4852 15.3040 PRESSURE: 2354400 179.552 199.241 20.4883 199.241 -155.044 -93.7575 20.4882 -93.7566 3.25427 GPRESSURE: 2354400 194.331 101.353 13.2196 174.478 -134.623 -110.125 -44.6723 -11.2418 38.7106 PRESSAVG: 2354400 5.57778 13.0652 71.0576 13.0652 11.52 33.6959 71.0575 33.6959 3.56806 GPRESSAVG: 2354400 6.4612 12.2971 69.1814 14.939 12.0856 32.928 73.0662 35.263 1.90181 TIMING: 2354400 CPU: 7514.89, 0.00316132/step Wall: 7514.89, 0.00316132/step, 2.32322 hours remaining, 240.039062 MB of memory in use. ENERGY: 2354400 4044.8155 20564.2051 14458.0376 214.3565 -203483.5777 2617.1117 0.0000 0.0000 52269.9296 -109315.1218 300.3960 -161585.0514 -108950.7545 300.2106 9.2543 32.8063 760755.2297 6.8886 6.8162 PRESSURE: 2354600 -56.6306 25.6427 -48.8439 25.6428 -120.176 230.548 -48.844 230.548 -95.1739 GPRESSURE: 2354600 -66.8313 58.7535 -107.749 -45.2937 -109.267 140.637 -15.3158 146.485 -27.8743 PRESSAVG: 2354600 17.3605 2.93047 -3.64952 2.9305 -12.5804 -23.8789 -3.64958 -23.879 -0.646766 GPRESSAVG: 2354600 16.3494 4.65121 -1.20073 -1.44951 -12.5693 -23.2346 -6.43498 -25.2098 0.639967 TIMING: 2354600 CPU: 7515.52, 0.00317388/step Wall: 7515.52, 0.00317388/step, 2.33227 hours remaining, 240.039062 MB of memory in use. ENERGY: 2354600 4033.0584 20527.5526 14526.0645 253.0332 -203042.3512 2483.9193 0.0000 0.0000 51949.8941 -109268.8290 298.5568 -161218.7232 -108898.7983 300.2128 -90.6601 -67.9908 762472.7198 1.3778 1.4734 PRESSURE: 2354800 -61.3629 26.5914 12.9679 26.5916 -266.557 27.0486 12.9683 27.0491 1.58805 GPRESSURE: 2354800 -38.0848 41.8692 -0.528725 -19.2721 -182.647 -11.4907 67.5106 112.757 -6.82726 PRESSAVG: 2354800 1.54084 -59.0413 63.9273 -59.0413 16.2213 11.4125 63.9273 11.4126 -19.6913 GPRESSAVG: 2354800 3.03643 -58.3315 62.1389 -55.2915 15.5018 10.9349 65.6318 12.8411 -20.0342 TIMING: 2354800 CPU: 7516.16, 0.00316198/step Wall: 7516.16, 0.00316198/step, 2.32335 hours remaining, 240.039062 MB of memory in use. ENERGY: 2354800 4097.4289 20611.7169 14468.0753 247.4227 -203446.9644 2586.6985 0.0000 0.0000 52056.9086 -109378.7136 299.1718 -161435.6222 -109019.2153 299.6000 -108.7772 -75.8530 761420.9354 -0.6430 -0.4986 PRESSURE: 2355000 -186.719 -31.749 57.1905 -31.749 75.4173 138.073 57.1904 138.073 201.668 GPRESSURE: 2355000 -128.165 -49.4201 19.9012 -267.597 79.0114 135.489 183.069 -14.7126 221.777 PRESSAVG: 2355000 -15.2879 32.1716 16.1496 32.1716 18.0589 -3.46441 16.1497 -3.4644 35.4438 GPRESSAVG: 2355000 -16.1995 31.3712 15.4235 30.8388 18.8458 -3.62017 16.9186 -4.0577 35.6142 TIMING: 2355000 CPU: 7516.79, 0.00315552/step Wall: 7516.79, 0.00315552/step, 2.31843 hours remaining, 240.039062 MB of memory in use. ENERGY: 2355000 3988.3494 20695.9870 14439.8846 235.1118 -203618.5176 2548.1719 0.0000 0.0000 52373.7405 -109337.2725 300.9926 -161711.0129 -108974.3574 300.0344 30.1221 57.5412 761019.9157 12.7382 12.7535 PRESSURE: 2355200 -0.966192 -303.648 357.981 -303.649 208.707 122.014 357.982 122.014 30.6239 GPRESSURE: 2355200 123.838 -313.036 355.825 -237.266 139.317 204.542 304.72 -75.1501 51.4009 PRESSAVG: 2355200 -71.0636 -10.9824 9.55814 -10.9824 92.1712 -3.77908 9.5581 -3.77908 -4.90408 GPRESSAVG: 2355200 -71.1209 -12.3535 9.76161 -8.84169 91.4188 -3.02333 9.40243 -5.38821 -4.22783 TIMING: 2355200 CPU: 7517.42, 0.003179/step Wall: 7517.42, 0.003179/step, 2.33551 hours remaining, 240.039062 MB of memory in use. ENERGY: 2355200 4034.1839 20677.9944 14457.9760 256.3795 -203593.2391 2642.3907 0.0000 0.0000 52058.6302 -109465.6843 299.1817 -161524.3145 -109103.3393 300.0226 79.4549 104.8522 761413.1833 5.4012 5.3567 PRESSURE: 2355400 -243.782 31.656 168.206 31.6568 -194.398 -130.293 168.206 -130.294 -213.008 GPRESSURE: 2355400 -97.8816 8.32623 182.732 -34.9531 -195.186 -28.0866 238.703 -78.5239 -271.756 PRESSAVG: 2355400 18.1676 -72.2557 50.8016 -72.2557 22.3749 3.29453 50.8016 3.29448 14.7704 GPRESSAVG: 2355400 20.4519 -71.2789 52.2727 -73.2846 21.8857 1.0714 48.0483 2.86278 13.4767 TIMING: 2355400 CPU: 7518.06, 0.00316538/step Wall: 7518.06, 0.00316538/step, 2.32532 hours remaining, 240.039062 MB of memory in use. ENERGY: 2355400 4062.1321 20522.9748 14394.3669 273.7080 -203161.9518 2293.3129 0.0000 0.0000 52061.0084 -109554.4488 299.1953 -161615.4572 -109194.9689 298.7161 -217.0623 -188.2745 763301.8167 18.4377 18.6048 PRESSURE: 2355600 302.206 110.33 -169.981 110.33 216.563 -13.7804 -169.981 -13.7807 62.0548 GPRESSURE: 2355600 269.672 55.3226 -111.825 20.9075 256.871 29.9995 -198.766 57.9294 135.877 PRESSAVG: 2355600 17.7203 -17.0774 51.3785 -17.0773 -37.4942 23.6515 51.3786 23.6515 -15.1691 GPRESSAVG: 2355600 15.2865 -15.721 49.8478 -18.3505 -37.5781 24.3726 51.6062 26.6663 -12.8843 TIMING: 2355600 CPU: 7518.69, 0.00316006/step Wall: 7518.69, 0.00316007/step, 2.32124 hours remaining, 240.039062 MB of memory in use. ENERGY: 2355600 3895.4365 20559.3669 14407.2357 246.5169 -203589.2524 2718.9128 0.0000 0.0000 52195.2084 -109566.5752 299.9666 -161761.7836 -109197.6794 299.2090 193.6079 220.8065 761709.0642 -11.6477 -11.7253 PRESSURE: 2355800 -322.464 -50.2798 52.559 -50.2801 -363.274 79.1422 52.5583 79.1418 -263.631 GPRESSURE: 2355800 -314.317 -103.508 90.2356 -16.853 -249.798 97.8439 28.6888 16.1369 -316.364 PRESSAVG: 2355800 -42.0231 -44.1441 -28.0297 -44.1442 30.0552 26.7541 -28.0297 26.7541 -1.55575 GPRESSAVG: 2355800 -41.238 -44.5329 -27.0304 -43.2935 31.3487 27.5367 -27.0267 24.3193 -3.43634 TIMING: 2355800 CPU: 7519.32, 0.00316013/step Wall: 7519.32, 0.00316013/step, 2.32111 hours remaining, 240.039062 MB of memory in use. ENERGY: 2355800 4045.8218 20701.9496 14459.6265 244.9363 -203183.7910 2265.4012 0.0000 0.0000 51877.2959 -109588.7597 298.1395 -161466.0555 -109236.3325 299.3316 -316.4565 -293.4931 762566.2805 -4.5079 -4.4419 PRESSURE: 2356000 -131.96 2.52173 244.367 2.52181 -119.243 -220.456 244.366 -220.457 147.604 GPRESSURE: 2356000 -170.948 35.1319 109.52 79.2653 -103.273 -268.14 145.739 -86.9634 259.684 PRESSAVG: 2356000 -44.8775 -5.38988 -25.6832 -5.38989 -20.0434 -45.9221 -25.6832 -45.922 2.82819 GPRESSAVG: 2356000 -44.8204 -4.92058 -25.0582 -4.98442 -20.7375 -46.9339 -24.3732 -47.3024 3.62245 TIMING: 2356000 CPU: 7519.95, 0.00316229/step Wall: 7519.95, 0.00316229/step, 2.32253 hours remaining, 240.039062 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: 2356000 4026.7750 20519.4013 14530.1884 258.8829 -203745.1095 2696.6669 0.0000 0.0000 52118.1464 -109595.0486 299.5237 -161713.1949 -109236.8416 298.9187 -34.5332 -4.8458 762473.2450 -20.6976 -20.6451 PRESSURE: 2356200 -177.978 111.196 -59.2584 111.196 373.119 22.4204 -59.2585 22.4198 113.878 GPRESSURE: 2356200 -122.756 -2.73901 6.50368 75.2412 425.793 25.6615 -114.691 -41.331 77.3272 PRESSAVG: 2356200 -36.1021 23.3487 -13.652 23.3487 -9.46375 -64.7222 -13.6521 -64.7222 7.98987 GPRESSAVG: 2356200 -35.6141 22.5421 -13.0769 22.6672 -7.97146 -64.1879 -14.3714 -62.3154 6.37168 TIMING: 2356200 CPU: 7520.58, 0.00314936/step Wall: 7520.58, 0.00314936/step, 2.31285 hours remaining, 240.039062 MB of memory in use. ENERGY: 2356200 4019.1405 20467.9393 14500.7689 242.9712 -203973.5464 3042.3340 0.0000 0.0000 52273.6763 -109426.7163 300.4175 -161700.3925 -109051.9081 299.6031 103.0062 126.7880 761383.1262 -12.5253 -12.4046 LDB: ============= START OF LOAD BALANCING ============== 7533.03 LDB: ============== END OF LOAD BALANCING =============== 7533.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7533.03 LDB: ============= START OF LOAD BALANCING ============== 7533.35 LDB: Largest compute 7057 load 0.033669 is 17.2% of average load 0.195256 LDB: Average compute 0.004364 is 2.2% of average load 0.195256 LDB: TIME 7533.35 LOAD: AVG 0.195256 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 7533.35 LOAD: AVG 0.195256 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.961 MB LDB: TIME 7533.35 LOAD: AVG 0.195256 MAX 0.214197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.961 MB LDB: ============== END OF LOAD BALANCING =============== 7533.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7533.36 PRESSURE: 2356400 -68.1988 -24.0101 -159.356 -24.01 -510.559 -143.104 -159.355 -143.104 274.625 GPRESSURE: 2356400 -35.2152 -125.037 -133.622 34.0071 -397.343 -82.6027 -192.102 -221.892 218.729 PRESSAVG: 2356400 25.6643 -25.3989 -27.7182 -25.3989 11.7298 -18.4813 -27.7182 -18.4814 8.32573 GPRESSAVG: 2356400 25.9113 -24.8388 -29.6666 -25.7083 11.9486 -19.3469 -28.3783 -20.8516 7.42951 TIMING: 2356400 CPU: 7521.22, 0.00320995/step Wall: 7521.22, 0.00320995/step, 2.35717 hours remaining, 241.898438 MB of memory in use. ENERGY: 2356400 3931.1325 20482.6789 14568.5481 250.6574 -203542.9469 2646.0613 0.0000 0.0000 52139.0948 -109524.7740 299.6441 -161663.8688 -109157.4884 299.1395 -101.3777 -71.2764 762003.1594 15.2400 15.0965 PRESSURE: 2356600 161.526 -60.5295 33.9913 -60.5295 139.885 -217.863 33.9913 -217.864 -201.698 GPRESSURE: 2356600 173.082 -68.0859 -77.8092 -101.566 127.88 -284.004 166.435 -285.028 -122.38 PRESSAVG: 2356600 5.90648 -21.4725 59.2592 -21.4726 -5.85119 -23.2539 59.2592 -23.2539 -11.3377 GPRESSAVG: 2356600 5.83766 -20.9606 58.9178 -20.9102 -6.33411 -21.3058 60.7624 -20.0365 -10.7004 TIMING: 2356600 CPU: 7521.85, 0.00312897/step Wall: 7521.85, 0.00312897/step, 2.29753 hours remaining, 241.898438 MB of memory in use. ENERGY: 2356600 3971.8631 20535.9182 14500.8381 248.4604 -203167.2669 2420.3583 0.0000 0.0000 51933.9400 -109555.8887 298.4651 -161489.8287 -109182.9871 298.9489 33.2378 59.5272 760979.8767 -3.7608 -3.7323 PRESSURE: 2356800 -30.1886 36.8778 -84.621 36.8779 -52.3462 -40.266 -84.6217 -40.2668 -433.204 GPRESSURE: 2356800 -10.8818 -8.61638 -97.9673 51.7137 -20.5359 -39.1546 -182.197 -32.1838 -409.784 PRESSAVG: 2356800 -57.4928 39.2746 -20.1554 39.2746 47.1241 -82.6754 -20.1554 -82.6753 -25.2504 GPRESSAVG: 2356800 -57.1637 38.0506 -18.1037 39.0312 45.784 -82.8476 -20.8848 -83.4238 -25.0035 TIMING: 2356800 CPU: 7522.48, 0.00315053/step Wall: 7522.48, 0.00315053/step, 2.31319 hours remaining, 241.898438 MB of memory in use. ENERGY: 2356800 4005.3347 20481.2202 14384.7182 253.3745 -203650.5897 2610.5599 0.0000 0.0000 52203.8267 -109711.5556 300.0161 -161915.3822 -109344.5081 299.2240 -171.9128 -147.0671 759979.1706 -11.8730 -12.1277 PRESSURE: 2357000 144 64.3883 -467.973 64.3874 112.235 202.779 -467.972 202.781 236.311 GPRESSURE: 2357000 157.959 64.1514 -285.751 30.3656 179.117 153.26 -436.836 209.75 255.932 PRESSAVG: 2357000 -63.8376 -32.7636 -27.3948 -32.7635 31.4257 -34.9937 -27.3947 -34.9936 -18.7112 GPRESSAVG: 2357000 -64.4076 -32.8194 -27.2944 -30.4871 32.658 -35.3716 -28.9344 -35.2889 -19.3122 TIMING: 2357000 CPU: 7523.11, 0.00312958/step Wall: 7523.11, 0.00312958/step, 2.29763 hours remaining, 241.898438 MB of memory in use. ENERGY: 2357000 3963.8913 20384.3803 14460.1606 235.8366 -203848.6285 3064.1831 0.0000 0.0000 52179.6598 -109560.5168 299.8772 -161740.1766 -109194.5570 299.2079 164.1819 197.6690 761216.6305 -17.0411 -17.0206 PRESSURE: 2357200 -257.366 19.3788 -99.8206 19.3788 -197.884 250.749 -99.8207 250.748 -365.705 GPRESSURE: 2357200 -251.09 64.5784 -45.6451 52.259 -90.9587 153.349 9.94943 198.005 -402.581 PRESSAVG: 2357200 -22.0824 -47.2949 -37.3189 -47.2949 32.571 15.312 -37.3188 15.312 10.4502 GPRESSAVG: 2357200 -21.6919 -46.126 -37.4072 -48.2782 31.8733 14.714 -35.356 15.0868 11.1232 TIMING: 2357200 CPU: 7523.74, 0.0031488/step Wall: 7523.74, 0.0031488/step, 2.31157 hours remaining, 241.898438 MB of memory in use. ENERGY: 2357200 4001.7058 20471.3413 14437.3014 253.5101 -203445.5735 2546.5950 0.0000 0.0000 52091.4297 -109643.6902 299.3702 -161735.1199 -109277.8016 299.0702 -273.6515 -248.2098 762596.2442 6.9796 7.1015 PRESSURE: 2357400 13.6893 -16.7372 -142.891 -16.7364 107.589 19.1433 -142.89 19.1425 8.80987 GPRESSURE: 2357400 -30.6581 39.9404 -131.638 -22.9625 114.242 70.147 -145.587 80.6104 129.894 PRESSAVG: 2357400 -4.40747 -39.8101 -18.5031 -39.81 11.7392 36.1108 -18.5032 36.1108 3.33282 GPRESSAVG: 2357400 -4.71286 -42.8518 -18.612 -41.502 11.9331 39.2364 -17.6789 36.125 3.73439 TIMING: 2357400 CPU: 7524.37, 0.00314726/step Wall: 7524.37, 0.00314725/step, 2.31026 hours remaining, 241.898438 MB of memory in use. ENERGY: 2357400 3944.7917 20648.2539 14483.7629 249.5689 -203596.0029 2815.7415 0.0000 0.0000 52022.0575 -109431.8266 298.9715 -161453.8840 -109073.6494 299.2249 43.3629 71.1593 764894.5431 3.5548 3.6516 PRESSURE: 2357600 30.2552 -74.3928 -137.611 -74.3922 254.111 75.2871 -137.612 75.2859 -165.308 GPRESSURE: 2357600 121.453 -47.8952 -146.64 43.0135 256.543 56.3887 -57.5963 24.9834 -192.853 PRESSAVG: 2357600 -13.7347 -38.9754 1.06427 -38.9754 24.71 20.4363 1.06418 20.4363 -1.21502 GPRESSAVG: 2357600 -14.3052 -35.6977 0.46148 -38.0722 25.7463 19.5991 -1.11583 19.2153 -1.68817 TIMING: 2357600 CPU: 7524.99, 0.00314012/step Wall: 7524.99, 0.00314012/step, 2.30485 hours remaining, 241.898438 MB of memory in use. ENERGY: 2357600 4007.3885 20724.2639 14509.3620 262.8175 -203763.0306 2792.7679 0.0000 0.0000 51970.6441 -109495.7867 298.6760 -161466.4308 -109141.4375 299.6928 39.6862 61.7144 762887.7382 3.2534 3.2510 PRESSURE: 2357800 97.7484 -5.44786 134.315 -5.44828 43.3654 108.085 134.315 108.085 -131.542 GPRESSURE: 2357800 42.2255 -41.0897 101.03 -3.06053 59.9477 151.975 107.469 195.025 -13.4747 PRESSAVG: 2357800 -11.75 21.5963 -7.6045 21.5963 43.8649 -25.8084 -7.6045 -25.8084 5.80357 GPRESSAVG: 2357800 -12.3386 20.8489 -8.42561 20.4679 43.129 -28.1087 -6.86539 -23.5065 6.79422 TIMING: 2357800 CPU: 7525.62, 0.00313702/step Wall: 7525.62, 0.00313702/step, 2.3024 hours remaining, 241.898438 MB of memory in use. ENERGY: 2357800 3885.9511 20484.0255 14472.7535 238.9993 -203963.5003 2906.6489 0.0000 0.0000 52464.7025 -109510.4195 301.5154 -161975.1220 -109134.3091 299.2104 3.1905 29.5661 762698.2720 12.6395 12.5282 PRESSURE: 2358000 12.2149 179.857 -151.367 179.857 -37.7306 -69.5738 -151.367 -69.5744 -304.594 GPRESSURE: 2358000 38.561 82.5704 -137.216 172.214 2.26761 -60.4782 -110.515 -56.5514 -266.121 PRESSAVG: 2358000 -56.5378 14.2354 -28.5886 14.2354 46.7724 9.5593 -28.5886 9.55934 -7.54926 GPRESSAVG: 2358000 -56.601 14.5286 -27.241 16.0298 47.5347 9.8682 -28.2255 10.1481 -7.72553 TIMING: 2358000 CPU: 7526.25, 0.00315636/step Wall: 7526.25, 0.00315635/step, 2.31641 hours remaining, 241.898438 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: 2358000 4026.2484 20350.8195 14432.6175 250.2764 -203307.0673 2676.8191 0.0000 0.0000 52341.1365 -109229.1499 300.8052 -161570.2864 -108879.1090 299.6901 -110.0367 -75.0975 762190.8399 -5.7716 -5.5973 PRESSURE: 2358200 52.4071 -71.2154 -46.9165 -71.2158 162.269 95.8386 -46.9163 95.8378 44.8183 GPRESSURE: 2358200 206.909 -88.6218 -67.3845 -89.6631 68.5054 68.5816 -48.0512 43.0292 61.0563 PRESSAVG: 2358200 -13.0805 -7.86434 -55.0388 -7.86439 44.2938 -12.5835 -55.0388 -12.5835 -8.70476 GPRESSAVG: 2358200 -11.7566 -7.49814 -54.6952 -9.97127 43.2425 -12.5447 -57.5738 -15.1047 -8.72923 TIMING: 2358200 CPU: 7526.88, 0.00314029/step Wall: 7526.88, 0.00314029/step, 2.30445 hours remaining, 241.898438 MB of memory in use. ENERGY: 2358200 3968.7165 20499.2388 14454.3147 245.7393 -203541.5652 2819.0033 0.0000 0.0000 52468.4883 -109086.0643 301.5371 -161554.5526 -108723.4751 300.3663 86.4980 112.1570 760883.2131 7.5029 7.5855 PRESSURE: 2358400 307.522 -18.4072 165.967 -18.4072 -110.904 -43.9645 165.967 -43.9644 63.181 GPRESSURE: 2358400 322.349 9.9799 93.981 -43.431 -97.4038 -79.7474 77.1094 77.3899 120.635 PRESSAVG: 2358400 -17.0512 13.8111 7.54766 13.8111 33.0715 39.0813 7.54771 39.0812 19.8176 GPRESSAVG: 2358400 -16.4997 13.8147 5.01419 14.2062 32.1978 37.5666 9.92799 41.3088 20.2362 TIMING: 2358400 CPU: 7527.51, 0.00312661/step Wall: 7527.51, 0.00312661/step, 2.29424 hours remaining, 241.898438 MB of memory in use. ENERGY: 2358400 4066.2804 20520.1536 14499.1499 232.6698 -203576.2645 2820.1613 0.0000 0.0000 52227.8152 -109210.0343 300.1540 -161437.8495 -108844.3006 300.2883 86.5996 115.1933 760449.6654 11.9460 11.9781 PRESSURE: 2358600 -114.493 -120.572 -182.401 -120.572 -109.495 -99.9687 -182.401 -99.9682 -171.118 GPRESSURE: 2358600 -38.4216 -93.9081 -252.973 -154.917 -172.133 -165.937 -79.6836 -56.2243 -89.8944 PRESSAVG: 2358600 44.4116 -27.5072 -8.9419 -27.5073 -38.9846 11.5311 -8.94191 11.531 -4.59528 GPRESSAVG: 2358600 44.0581 -30.3006 -8.12415 -29.1868 -38.2812 13.7068 -9.20552 10.2014 -4.66515 TIMING: 2358600 CPU: 7528.13, 0.00313723/step Wall: 7528.13, 0.00313723/step, 2.30186 hours remaining, 241.898438 MB of memory in use. ENERGY: 2358600 3993.3854 20539.2009 14356.3114 255.0324 -203398.4902 2517.6609 0.0000 0.0000 52347.3291 -109389.5701 300.8408 -161736.8992 -109032.8013 299.9417 -131.7017 -100.1498 759929.9404 0.2772 0.3706 PRESSURE: 2358800 5.37644 117.842 289.055 117.842 269.375 -52.0555 289.054 -52.0561 -287.38 GPRESSURE: 2358800 6.7048 91.3511 262.835 116.275 377.676 1.12432 357.336 29.6983 -303.444 PRESSAVG: 2358800 20.156 -6.92283 32.2043 -6.92286 -8.91918 -44.1287 32.2042 -44.1288 -11.4406 GPRESSAVG: 2358800 20.1 -6.63027 34.1991 -4.93233 -8.05951 -46.3215 31.6013 -41.8137 -12.2778 TIMING: 2358800 CPU: 7528.77, 0.00316053/step Wall: 7528.77, 0.00316053/step, 2.31877 hours remaining, 241.898438 MB of memory in use. ENERGY: 2358800 3961.5648 20549.8105 14487.7624 253.6905 -203272.8379 2655.2919 0.0000 0.0000 52066.8292 -109297.8887 299.2288 -161364.7179 -108941.8208 299.7764 -4.2097 26.9791 761351.4544 -0.0679 -0.0791 PRESSURE: 2359000 85.3926 35.9922 -94.7969 35.9932 319.401 309.268 -94.7971 309.267 206.072 GPRESSURE: 2359000 88.2735 -5.91246 -97.3165 -50.4406 406.34 188.527 -140.55 197.048 224.753 PRESSAVG: 2359000 -55.7158 13.0356 17.2241 13.0356 10.2191 -38.2955 17.2241 -38.2955 -13.2686 GPRESSAVG: 2359000 -55.5472 14.7032 15.9628 10.11 10.6566 -37.7668 18.6054 -40.5956 -13.4372 TIMING: 2359000 CPU: 7529.4, 0.00317004/step Wall: 7529.4, 0.00317004/step, 2.32558 hours remaining, 241.898438 MB of memory in use. ENERGY: 2359000 3964.0353 20448.3811 14417.5161 244.9283 -203330.1535 2579.4056 0.0000 0.0000 52085.0558 -109590.8313 299.3335 -161675.8871 -109229.9498 299.1660 203.6216 239.7889 761092.1146 -19.5884 -19.4426 PRESSURE: 2359200 147.695 -125.666 54.3792 -125.665 256.652 276.227 54.3794 276.228 72.3908 GPRESSURE: 2359200 156.614 71.8838 28.8662 -129.515 292.534 305.901 123.896 244.182 112.163 PRESSAVG: 2359200 -27.9177 -42.8383 -81.4744 -42.8383 30.6786 21.6012 -81.4744 21.6011 14.1407 GPRESSAVG: 2359200 -28.4704 -43.4227 -80.9376 -40.8738 31.071 21.3608 -81.3556 23.2304 14.1484 TIMING: 2359200 CPU: 7530.03, 0.00315198/step Wall: 7530.03, 0.00315198/step, 2.31215 hours remaining, 241.898438 MB of memory in use. ENERGY: 2359200 4056.5111 20462.1819 14476.2518 236.3505 -203101.1747 2523.0612 0.0000 0.0000 52103.4020 -109243.4163 299.4390 -161346.8182 -108875.0313 298.9416 158.9123 187.1035 761128.0912 5.6339 5.5830 PRESSURE: 2359400 -1.63551 -86.5557 72.4441 -86.5559 -344.515 86.7284 72.4442 86.7281 104.175 GPRESSURE: 2359400 -7.16951 -54.7803 51.9562 -67.4236 -260.255 75.5501 -76.9543 -42.253 90.5768 PRESSAVG: 2359400 -11.7839 26.4271 17.6657 26.4271 -2.40914 -14.9253 17.6657 -14.9253 -11.4766 GPRESSAVG: 2359400 -10.8868 27.492 17.909 25.4403 -2.38473 -15.2567 15.9029 -17.2322 -12.1914 TIMING: 2359400 CPU: 7530.66, 0.0031694/step Wall: 7530.66, 0.0031694/step, 2.32475 hours remaining, 241.898438 MB of memory in use. ENERGY: 2359400 3975.3295 20532.7643 14470.8125 240.0735 -202843.1077 2490.4253 0.0000 0.0000 51892.3787 -109241.3239 298.2262 -161133.7027 -108876.7008 299.7593 -80.6583 -58.9492 762890.6163 -8.5566 -8.4876 PRESSURE: 2359600 -87.3946 -12.7378 -110.7 -12.7369 171.171 -157.578 -110.7 -157.578 20.1361 GPRESSURE: 2359600 -17.5239 -2.49123 -29.4417 -92.2038 153.448 -78.7273 -184.531 -197.385 61.9689 PRESSAVG: 2359600 28.6247 -31.276 20.3157 -31.276 -47.2048 -47.7314 20.3158 -47.7315 6.73028 GPRESSAVG: 2359600 28.8773 -31.1608 20.5034 -30.9264 -48.4442 -47.6557 19.3989 -44.7292 7.8106 TIMING: 2359600 CPU: 7531.29, 0.00315736/step Wall: 7531.29, 0.00315736/step, 2.31574 hours remaining, 241.898438 MB of memory in use. ENERGY: 2359600 3943.9200 20331.5090 14427.7612 248.7451 -203120.8399 2612.2823 0.0000 0.0000 52245.0583 -109311.5641 300.2531 -161556.6224 -108938.1971 299.6319 34.6376 65.9642 761600.9625 -3.9499 -3.9188 PRESSURE: 2359800 185.41 74.5828 -62.9631 74.5827 82.1907 31.5654 -62.9635 31.5647 -50.9048 GPRESSURE: 2359800 318.154 56.3671 -28.7163 -35.7998 0.794217 -26.3648 -38.0545 226.49 -37.9952 PRESSAVG: 2359800 14.5237 -46.2955 -68.2108 -46.2955 -15.1323 9.08 -68.2108 9.08 14.6537 GPRESSAVG: 2359800 13.9655 -46.6372 -68.5938 -45.8098 -14.5519 10.6283 -65.1254 8.21592 14.5431 TIMING: 2359800 CPU: 7531.92, 0.00314735/step Wall: 7531.92, 0.00314735/step, 2.30823 hours remaining, 241.898438 MB of memory in use. ENERGY: 2359800 4023.7213 20378.1136 14431.2379 244.1698 -203140.5658 2634.1373 0.0000 0.0000 52062.4710 -109366.7149 299.2037 -161429.1859 -108997.8275 299.6061 72.2321 93.6510 763101.5783 4.6817 4.6522 PRESSURE: 2360000 -194.239 -143.474 -144.117 -143.474 -322.546 -55.391 -144.116 -55.3909 264.026 GPRESSURE: 2360000 -212.327 -163.634 -194.833 -136.624 -238.366 -65.8865 -167.583 -95.3015 282.531 PRESSAVG: 2360000 -16.0515 43.6928 3.77585 43.6928 59.4469 -13.5676 3.77579 -13.5675 -14.3433 GPRESSAVG: 2360000 -16.5807 44.8826 3.6961 44.5107 59.8256 -14.0751 0.733643 -14.8022 -13.8598 TIMING: 2360000 CPU: 7532.55, 0.00315227/step Wall: 7532.55, 0.00315227/step, 2.31167 hours remaining, 241.898438 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: 2360000 3930.7734 20407.2717 14458.0194 260.6178 -203146.3981 2429.3862 0.0000 0.0000 52215.7654 -109444.5644 300.0847 -161660.3297 -109074.1710 299.4014 -84.2531 -56.0543 762739.0897 9.6841 9.7950 PRESSURE: 2360200 -144.84 -149.632 44.242 -149.632 344.007 -228.272 44.2418 -228.272 -76.9232 GPRESSURE: 2360200 -114.081 -131.971 37.9896 -122.974 308.043 -238.346 99.4748 -244.961 20.2861 PRESSAVG: 2360200 24.7932 1.40785 -19.7737 1.40787 15.768 -43.4159 -19.7736 -43.4159 16.0886 GPRESSAVG: 2360200 25.8607 -0.00153782 -19.3095 2.34612 16.1857 -42.426 -18.2066 -45.0051 15.1573 TIMING: 2360200 CPU: 7533.19, 0.0031695/step Wall: 7533.19, 0.0031695/step, 2.32413 hours remaining, 241.898438 MB of memory in use. ENERGY: 2360200 3996.5708 20535.6590 14460.2733 228.7489 -203324.7402 2628.1169 0.0000 0.0000 52109.1088 -109366.2626 299.4718 -161475.3714 -109000.3744 299.5535 40.7479 71.4161 760744.0265 18.8833 19.0679 LDB: ============= START OF LOAD BALANCING ============== 7545.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7545.64 LDB: =============== DONE WITH MIGRATION ================ 7545.65 LDB: ============= START OF LOAD BALANCING ============== 7545.96 LDB: Largest compute 7026 load 0.036837 is 18.9% of average load 0.195292 LDB: Average compute 0.004374 is 2.2% of average load 0.195292 LDB: TIME 7545.97 LOAD: AVG 0.195292 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7545.97 LOAD: AVG 0.195292 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 7545.97 LOAD: AVG 0.195292 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 7545.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7545.97 PRESSURE: 2360400 -77.2077 122.164 44.5989 122.164 -311.087 -18.5677 44.5979 -18.5675 -365.087 GPRESSURE: 2360400 -89.7391 291.756 -99.7119 102.183 -315.505 -21.8453 89.1249 50.5912 -267.666 PRESSAVG: 2360400 -13.2414 -44.764 -13.7608 -44.7639 -6.83237 2.46715 -13.7608 2.46717 3.82212 GPRESSAVG: 2360400 -11.9276 -44.3954 -15.1038 -46.6005 -8.12687 0.705037 -12.541 4.94657 3.72778 TIMING: 2360400 CPU: 7533.84, 0.00324095/step Wall: 7533.84, 0.00324095/step, 2.37633 hours remaining, 239.835938 MB of memory in use. ENERGY: 2360400 3993.8546 20623.3427 14410.6790 241.0114 -203024.5773 2422.1200 0.0000 0.0000 51962.4975 -109371.0720 298.6292 -161333.5696 -109010.2701 299.0855 -251.1273 -224.3035 762872.1918 -5.4172 -5.4422 PRESSURE: 2360600 36.2063 -285.982 184.723 -285.981 5.48036 246.096 184.723 246.096 7.79542 GPRESSURE: 2360600 1.0619 -332.973 152.396 -193.864 126.318 297.869 204.115 109.945 8.55782 PRESSAVG: 2360600 7.67129 -10.9729 46.5854 -10.9729 -48.1171 42.5911 46.5855 42.5911 23.0133 GPRESSAVG: 2360600 7.53271 -9.61048 48.2836 -9.65919 -47.3189 42.1069 44.6732 42.4453 22.7272 TIMING: 2360600 CPU: 7534.48, 0.00319141/step Wall: 7534.48, 0.00319141/step, 2.33983 hours remaining, 240.035156 MB of memory in use. ENERGY: 2360600 4021.4451 20384.8504 14422.6331 238.9500 -203269.3778 2562.2573 0.0000 0.0000 52221.1966 -109418.0452 300.1159 -161639.2419 -109043.5698 299.2138 16.4940 45.3126 762180.1705 -5.8108 -5.6863 PRESSURE: 2360800 -221.282 215.806 -88.2708 215.805 45.9686 -61.2201 -88.2705 -61.2204 -38.6249 GPRESSURE: 2360800 -178.482 164.693 44.3934 192.667 112.425 -64.715 -55.9062 -26.2648 -69.3164 PRESSAVG: 2360800 -43.1175 -51.8617 -16.4101 -51.8618 10.3217 8.79198 -16.4101 8.79199 0.208347 GPRESSAVG: 2360800 -44.3298 -54.0749 -17.7621 -51.6817 10.7915 8.03262 -15.6279 9.4241 0.477678 TIMING: 2360800 CPU: 7535.11, 0.00319872/step Wall: 7535.11, 0.00319872/step, 2.34501 hours remaining, 240.035156 MB of memory in use. ENERGY: 2360800 3991.9814 20508.4319 14522.2079 254.9379 -203059.4184 2435.7535 0.0000 0.0000 52085.6082 -109260.4976 299.3367 -161346.1058 -108896.4665 298.8154 -71.3127 -45.1247 763649.9940 -10.8625 -11.0202 PRESSURE: 2361000 125.822 -47.1336 -46.0573 -47.1336 -34.3031 28.6507 -46.0574 28.6512 25.0999 GPRESSURE: 2361000 25.8875 -191.416 -31.5531 -58.9113 101.724 37.2844 7.29625 129.373 60.5539 PRESSAVG: 2361000 -32.1448 -48.0399 -4.18445 -48.0398 59.0794 31.2058 -4.1844 31.2058 -9.9413 GPRESSAVG: 2361000 -32.7517 -46.2417 -3.92228 -49.733 59.1972 30.8949 -4.86229 32.0581 -9.32529 TIMING: 2361000 CPU: 7535.75, 0.00319058/step Wall: 7535.75, 0.00319058/step, 2.33887 hours remaining, 240.035156 MB of memory in use. ENERGY: 2361000 3880.6097 20511.9853 14431.8701 245.8373 -202785.2144 2202.1783 0.0000 0.0000 52110.6883 -109402.0453 299.4808 -161512.7336 -109042.8343 299.6583 38.8729 62.7217 762042.5153 5.6644 5.7067 PRESSURE: 2361200 -319.073 69.6532 293.701 69.6533 151.643 -83.0164 293.701 -83.0167 30.918 GPRESSURE: 2361200 -192.888 31.8685 224.593 77.4459 156.136 -49.5516 282.709 -115.578 7.08798 PRESSAVG: 2361200 -32.5959 -41.3138 -45.6421 -41.3138 31.9011 36.5682 -45.642 36.5682 31.6374 GPRESSAVG: 2361200 -32.2102 -42.5579 -44.4989 -42.7556 32.3307 37.864 -47.8311 33.6425 30.7964 TIMING: 2361200 CPU: 7536.39, 0.00318634/step Wall: 7536.39, 0.00318634/step, 2.33559 hours remaining, 240.035156 MB of memory in use. ENERGY: 2361200 4022.1643 20517.2063 14431.5017 246.3894 -203501.2950 2809.3550 0.0000 0.0000 51884.3481 -109590.3303 298.1801 -161474.6784 -109228.7522 298.9448 -45.5041 -9.8880 761467.4216 10.3142 10.3056 PRESSURE: 2361400 -95.3081 215.595 34.7469 215.595 -96.4551 81.4104 34.7469 81.4101 46.2313 GPRESSURE: 2361400 0.43597 154.768 -19.0644 131.937 -66.9907 -11.5155 161.064 79.0239 43.0259 PRESSAVG: 2361400 0.434443 -54.4649 -6.56717 -54.4649 21.5264 16.0087 -6.56717 16.0087 4.10988 GPRESSAVG: 2361400 1.77994 -52.16 -5.31655 -52.2733 20.9497 15.523 -4.63528 18.8075 4.16393 TIMING: 2361400 CPU: 7537.03, 0.00317653/step Wall: 7537.03, 0.00317653/step, 2.32822 hours remaining, 240.035156 MB of memory in use. ENERGY: 2361400 3922.5384 20521.3603 14442.4248 243.8599 -203144.8892 2473.1021 0.0000 0.0000 51621.9674 -109919.6363 296.6722 -161541.6037 -109565.5080 297.7516 -48.5106 -7.8429 762552.8241 8.6902 8.9645 PRESSURE: 2361600 -228.816 56.2732 -26.5662 56.2725 -213.107 170.201 -26.5663 170.202 118.17 GPRESSURE: 2361600 -214.081 72.9986 -20.7663 78.0886 -181.041 234.46 45.4345 166.751 161.134 PRESSAVG: 2361600 55.0248 -48.8385 -3.06884 -48.8386 -7.60878 60.2648 -3.06882 60.2648 -10.3946 GPRESSAVG: 2361600 54.8438 -48.8528 -4.33347 -49.8296 -6.50687 61.3888 -2.18937 57.4727 -11.5678 TIMING: 2361600 CPU: 7537.66, 0.00315839/step Wall: 7537.66, 0.00315839/step, 2.31475 hours remaining, 240.035156 MB of memory in use. ENERGY: 2361600 3960.0880 20426.1903 14508.4363 287.5786 -203335.7794 2452.3520 0.0000 0.0000 52011.6406 -109689.4935 298.9116 -161701.1341 -109333.2143 298.4816 -107.9175 -77.9959 761404.0876 12.3405 12.2564 PRESSURE: 2361800 126.576 42.5991 -142.387 42.6 173.973 178.842 -142.386 178.842 357.108 GPRESSURE: 2361800 214.663 43.3582 -124.29 5.84406 216.024 39.6638 -165.759 81.0133 323.745 PRESSAVG: 2361800 9.77419 -24.1991 26.8459 -24.199 -31.3146 83.6659 26.846 83.6658 2.37263 GPRESSAVG: 2361800 9.16541 -25.0637 26.9116 -22.2047 -31.5529 82.9732 25.5266 84.6743 2.61461 TIMING: 2361800 CPU: 7538.29, 0.00317606/step Wall: 7538.29, 0.00317606/step, 2.32752 hours remaining, 240.035156 MB of memory in use. ENERGY: 2361800 3956.9719 20412.3619 14503.4581 252.0245 -203390.6676 2603.7632 0.0000 0.0000 51917.2271 -109744.8609 298.3690 -161662.0879 -109379.7388 298.6746 219.2190 251.4772 761140.7111 -6.3892 -6.5909 PRESSURE: 2362000 -379.405 -180.108 -79.7097 -180.107 28.6847 188.404 -79.7101 188.403 68.5454 GPRESSURE: 2362000 -263.554 -125.72 -34.4858 -195.902 26.8104 83.327 -94.9845 90.7956 56.2944 PRESSAVG: 2362000 64.4721 -38.6031 11.9049 -38.6031 -19.0014 23.3234 11.9049 23.3234 20.7085 GPRESSAVG: 2362000 65.5542 -39.0711 10.7212 -40.2728 -19.1199 23.7124 12.6857 23.4105 20.3043 TIMING: 2362000 CPU: 7538.93, 0.00318287/step Wall: 7538.93, 0.00318287/step, 2.33234 hours remaining, 240.035156 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: 2362000 3983.4548 20301.1687 14526.6767 267.9623 -203290.5753 2533.5340 0.0000 0.0000 51712.2571 -109965.5214 297.1911 -161677.7785 -109606.8985 298.2587 -94.0584 -60.1498 760944.6568 22.0597 22.2462 PRESSURE: 2362200 -153.312 -204.299 34.5525 -204.299 -192.654 -10.0502 34.5533 -10.0502 -428.41 GPRESSURE: 2362200 -291.67 -214.304 -2.33277 -171.636 -107.975 -26.0776 57.2503 43.9217 -299.472 PRESSAVG: 2362200 -19.4183 -43.599 46.8635 -43.5991 21.0157 18.5911 46.8636 18.591 -4.28954 GPRESSAVG: 2362200 -20.4145 -44.7255 46.7644 -42.2056 20.1421 18.5472 47.7831 20.4014 -2.96243 TIMING: 2362200 CPU: 7539.56, 0.00315937/step Wall: 7539.56, 0.00315937/step, 2.31494 hours remaining, 240.035156 MB of memory in use. ENERGY: 2362200 3972.1761 20453.3741 14466.4905 239.5003 -203187.3338 2313.4971 0.0000 0.0000 51815.3291 -109926.9667 297.7834 -161742.2958 -109565.6682 298.1580 -258.1254 -233.0390 761116.9588 -0.8974 -1.0783 PRESSURE: 2362400 296.482 12.0866 -12.6634 12.0857 -51.9436 118.095 -12.6629 118.094 166.412 GPRESSURE: 2362400 220.779 -51.3627 -45.5554 23.5993 -9.14329 166.33 27.2172 105.399 290.416 PRESSAVG: 2362400 44.2686 -43.3392 17.8854 -43.3392 -12.8492 32.8151 17.8854 32.815 -2.3645 GPRESSAVG: 2362400 44.4796 -41.5032 17.9814 -45.0279 -12.8967 33.2498 16.9879 31.3006 -2.88569 TIMING: 2362400 CPU: 7540.2, 0.00317055/step Wall: 7540.2, 0.00317055/step, 2.32296 hours remaining, 240.035156 MB of memory in use. ENERGY: 2362400 3950.3947 20290.2239 14457.0482 262.8407 -203350.8007 2454.5637 0.0000 0.0000 51986.9062 -109948.8232 298.7695 -161935.7295 -109582.2947 298.3027 136.9834 167.3507 760052.6965 9.6850 9.5658 PRESSURE: 2362600 -310.728 38.0397 160.527 38.0388 -39.2145 153.699 160.527 153.698 234.858 GPRESSURE: 2362600 -217.976 -12.6652 182.227 59.8568 6.18178 157.167 46.5381 99.3131 190.309 PRESSAVG: 2362600 -5.51673 -51.1794 46.0291 -51.1794 -14.0757 -1.95875 46.0292 -1.95869 18.1669 GPRESSAVG: 2362600 -5.89076 -52.1542 46.9437 -49.4938 -13.5174 -1.86908 46.6468 -2.04157 17.9152 TIMING: 2362600 CPU: 7540.83, 0.00316703/step Wall: 7540.83, 0.00316703/step, 2.3202 hours remaining, 240.035156 MB of memory in use. ENERGY: 2362600 3860.3654 20508.0345 14421.4618 257.9353 -203071.8203 2327.9541 0.0000 0.0000 51913.1295 -109782.9397 298.3455 -161696.0692 -109428.3790 298.3119 -38.3616 -7.1619 762046.7521 -0.4752 -0.4976 PRESSURE: 2362800 38.7908 51.4848 18.6819 51.4842 272.349 -57.9863 18.6817 -57.9858 32.5554 GPRESSURE: 2362800 56.2984 122.627 99.0733 16.2284 264.894 -57.9571 -111.136 -61.4282 105.305 PRESSAVG: 2362800 58.2614 -44.9237 9.214 -44.9237 -70.2812 -6.65282 9.21402 -6.65276 -20.0667 GPRESSAVG: 2362800 56.9814 -47.3885 10.1092 -44.3636 -69.0536 -7.93482 7.6789 -6.91854 -20.3909 TIMING: 2362800 CPU: 7541.46, 0.00314714/step Wall: 7541.46, 0.00314714/step, 2.30546 hours remaining, 240.035156 MB of memory in use. ENERGY: 2362800 3992.7083 20486.0788 14451.4386 246.7410 -203514.2921 2721.9788 0.0000 0.0000 51947.8338 -109667.5129 298.5449 -161615.3466 -109308.8794 299.1242 114.5651 142.1658 761783.9613 -10.6955 -10.8210 PRESSURE: 2363000 270.842 -216.875 -114.798 -216.875 282.426 228.19 -114.798 228.19 382.613 GPRESSURE: 2363000 244.316 -194.335 -163.457 -191.417 324.095 212.083 -53.8079 252.668 452.227 PRESSAVG: 2363000 44.5529 -49.3649 -12.9899 -49.3648 -12.2203 42.3803 -12.9899 42.3803 10.5877 GPRESSAVG: 2363000 46.2733 -44.6171 -13.696 -49.294 -13.8469 44.0696 -12.4226 41.3871 10.8578 TIMING: 2363000 CPU: 7542.09, 0.00316355/step Wall: 7542.09, 0.00316355/step, 2.3173 hours remaining, 240.035156 MB of memory in use. ENERGY: 2363000 3965.0209 20394.6768 14468.2744 247.0442 -203728.0299 2887.2316 0.0000 0.0000 52057.8747 -109707.9073 299.1773 -161765.7820 -109343.4315 298.8784 311.9602 340.2129 760258.4067 14.3068 14.4281 PRESSURE: 2363200 283.305 119.397 -268.577 119.396 -399.939 67.0781 -268.577 67.0778 -228.56 GPRESSURE: 2363200 282.076 173.415 -303.935 -33.8662 -247.501 43.2975 -71.2708 68.3601 -267.414 PRESSAVG: 2363200 -31.0211 -60.4869 -10.2613 -60.487 -11.9424 2.02672 -10.2612 2.02666 -17.7644 GPRESSAVG: 2363200 -30.7676 -60.1321 -11.183 -61.3369 -11.5339 1.19603 -10.359 1.79465 -18.4404 TIMING: 2363200 CPU: 7542.73, 0.00318578/step Wall: 7542.73, 0.00318578/step, 2.33341 hours remaining, 240.035156 MB of memory in use. ENERGY: 2363200 4011.0522 20526.7017 14429.9709 267.2625 -203279.3457 2497.7210 0.0000 0.0000 52079.0418 -109467.5957 299.2990 -161546.6375 -109110.1208 299.3664 -115.0648 -77.6129 759668.6939 -20.2426 -20.2473 PRESSURE: 2363400 -67.0762 -130.233 35.1025 -130.233 -297.233 -110.104 35.1033 -110.104 1.18416 GPRESSURE: 2363400 -20.4863 -188.272 49.6506 -186.796 -173.077 -118.147 -36.191 -85.9248 -68.7867 PRESSAVG: 2363400 14.6726 -98.0003 -27.5431 -98.0002 16.5769 29.5203 -27.5431 29.5202 -12.2619 GPRESSAVG: 2363400 13.695 -100.753 -28.0445 -97.8911 17.3999 29.169 -25.1677 33.0753 -12.3241 TIMING: 2363400 CPU: 7543.36, 0.00315784/step Wall: 7543.36, 0.00315784/step, 2.31277 hours remaining, 240.035156 MB of memory in use. ENERGY: 2363400 3887.4905 20432.0544 14428.8826 233.8753 -203206.8935 2576.2129 0.0000 0.0000 52296.6481 -109351.7298 300.5496 -161648.3779 -108980.9857 299.9818 -121.0417 -87.4500 758939.4867 6.3292 6.2569 PRESSURE: 2363600 -397.001 -0.119839 -12.6776 -0.120452 54.7891 -49.2963 -12.6777 -49.2956 117.029 GPRESSURE: 2363600 -418.592 53.6038 27.8993 -19.91 128.769 -49.8339 30.576 -8.66946 151.841 PRESSAVG: 2363600 5.54085 -16.2587 11.6162 -16.2587 -2.79078 -30.3153 11.6161 -30.3153 9.89368 GPRESSAVG: 2363600 4.43345 -13.7873 13.0622 -17.3048 -2.66976 -29.4562 6.84033 -32.436 10.6196 TIMING: 2363600 CPU: 7543.99, 0.00315636/step Wall: 7543.99, 0.00315636/step, 2.31151 hours remaining, 240.035156 MB of memory in use. ENERGY: 2363600 4097.5852 20416.6766 14440.9711 230.4674 -203199.8815 2405.2400 0.0000 0.0000 52246.1751 -109362.7660 300.2595 -161608.9411 -108997.4757 299.9781 -75.0611 -45.9942 761221.4131 4.2146 4.1278 PRESSURE: 2363800 -114.851 -55.7263 46.1001 -55.7263 -13.1686 -72.1931 46.1001 -72.1938 180.036 GPRESSURE: 2363800 -32.5444 -55.1033 60.3413 2.62695 109.392 -89.0443 -72.9548 -76.7887 58.9262 PRESSAVG: 2363800 -74.4524 -42.1436 3.00782 -42.1435 70.5841 -30.9791 3.00782 -30.9791 21.3932 GPRESSAVG: 2363800 -72.7136 -44.7118 2.74336 -40.8898 68.7161 -31.5005 4.55517 -29.7766 21.1618 TIMING: 2363800 CPU: 7544.62, 0.0031722/step Wall: 7544.62, 0.0031722/step, 2.32293 hours remaining, 240.035156 MB of memory in use. ENERGY: 2363800 3974.0182 20634.0131 14459.6455 242.6688 -203006.5483 2221.1540 0.0000 0.0000 52055.1225 -109419.9262 299.1615 -161475.0487 -109055.9589 299.5086 17.3388 45.2578 759561.2367 5.8417 5.7214 PRESSURE: 2364000 -72.6958 -166.945 -35.4416 -166.945 -58.6701 -163.676 -35.4416 -163.676 -53.5332 GPRESSURE: 2364000 29.1895 -214.732 -9.99839 -138.198 -23.8044 -96.7025 16.9149 -193.318 -111.147 PRESSAVG: 2364000 6.31145 -76.2228 -30.7241 -76.2228 -14.9224 -13.2541 -30.7241 -13.2541 -25.5092 GPRESSAVG: 2364000 4.41602 -77.1843 -31.6201 -74.6625 -12.9647 -11.8603 -27.8998 -12.3552 -25.3399 TIMING: 2364000 CPU: 7545.26, 0.00317522/step Wall: 7545.26, 0.00317522/step, 2.32496 hours remaining, 240.035156 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: 2364000 3994.2552 20455.0870 14440.4787 255.2453 -203296.2276 2416.1831 0.0000 0.0000 52116.5540 -109618.4242 299.5146 -161734.9782 -109261.5388 299.3205 -61.6330 -35.2540 760635.4663 -11.3734 -11.2962 PRESSURE: 2364200 -84.884 -66.8202 -73.9485 -66.8201 754.282 169.371 -73.9492 169.371 320.814 GPRESSURE: 2364200 43.7081 -64.4074 -139.901 -66.2565 748.266 212.552 -28.3291 39.0239 287.943 PRESSAVG: 2364200 -43.0605 -45.0428 -23.7469 -45.0428 28.0197 -48.8365 -23.7469 -48.8364 10.8119 GPRESSAVG: 2364200 -40.8102 -42.6243 -23.906 -47.6216 26.0946 -50.1613 -24.5606 -52.3006 10.9551 TIMING: 2364200 CPU: 7545.89, 0.0031741/step Wall: 7545.89, 0.0031741/step, 2.32397 hours remaining, 240.035156 MB of memory in use. ENERGY: 2364200 3984.6017 20450.1092 14477.3873 248.1095 -203817.0974 2675.1188 0.0000 0.0000 52307.2817 -109674.4891 300.6107 -161981.7708 -109316.5704 298.7373 330.0708 359.9723 760129.1865 -1.4096 -1.2535 LDB: ============= START OF LOAD BALANCING ============== 7558.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7558.35 LDB: =============== DONE WITH MIGRATION ================ 7558.35 LDB: ============= START OF LOAD BALANCING ============== 7558.67 LDB: Largest compute 7049 load 0.035240 is 18.0% of average load 0.195300 LDB: Average compute 0.004399 is 2.3% of average load 0.195300 LDB: TIME 7558.68 LOAD: AVG 0.1953 MAX 0.212209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 7558.68 LOAD: AVG 0.1953 MAX 0.212209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.68 MB LDB: TIME 7558.68 LOAD: AVG 0.1953 MAX 0.212209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.68 MB LDB: ============== END OF LOAD BALANCING =============== 7558.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.68 PRESSURE: 2364400 339.745 -20.0821 -70.6804 -20.0822 294.809 139.582 -70.6799 139.582 228.255 GPRESSURE: 2364400 329.828 -10.7963 -54.1951 -20.8154 365.097 77.8257 -8.67697 147.604 263.065 PRESSAVG: 2364400 -45.4086 -59.6648 -15.0998 -59.6648 0.917308 41.7496 -15.0998 41.7497 -12.8895 GPRESSAVG: 2364400 -45.6645 -61.6748 -15.1452 -58.4181 0.455231 41.1642 -14.9888 45.4325 -12.4697 TIMING: 2364400 CPU: 7546.55, 0.00325849/step Wall: 7546.55, 0.00325849/step, 2.38558 hours remaining, 239.585938 MB of memory in use. ENERGY: 2364400 4027.2865 20315.7482 14476.8921 250.2035 -203943.3605 2832.2388 0.0000 0.0000 52134.0490 -109906.9425 299.6151 -162040.9914 -109539.2643 298.9461 287.6031 319.3301 759035.7613 -19.1269 -19.2263 PRESSURE: 2364600 -32.5365 6.38529 2.79333 6.38454 -186.32 84.9373 2.79301 84.9368 -94.5095 GPRESSURE: 2364600 103.3 8.11516 -5.73778 90.3278 -232.339 129.882 -112.552 145.789 -91.1386 PRESSAVG: 2364600 -9.2467 -26.6171 -109.274 -26.6172 56.302 -12.2995 -109.274 -12.2995 23.7185 GPRESSAVG: 2364600 -9.04133 -26.332 -107.755 -27.8517 56.5413 -11.8007 -111.855 -14.0106 23.1459 TIMING: 2364600 CPU: 7547.19, 0.00320184/step Wall: 7547.19, 0.00320183/step, 2.34392 hours remaining, 239.585938 MB of memory in use. ENERGY: 2364600 3944.4168 20542.1094 14464.7938 250.5356 -203390.7207 2393.6554 0.0000 0.0000 51783.5765 -110011.6332 297.6009 -161795.2096 -109659.7012 298.9723 -104.4554 -73.3927 759930.8840 23.5913 23.5486 PRESSURE: 2364800 17.2713 23.5285 -211.393 23.5285 -60.0292 -60.8476 -211.394 -60.8482 -154.889 GPRESSURE: 2364800 95.4694 31.8692 -193.742 -23.2091 11.7836 3.70188 -207.317 9.44671 -208.155 PRESSAVG: 2364800 -21.7067 -81.2713 -106.597 -81.2713 0.794885 46.4011 -106.597 46.4011 3.18771 GPRESSAVG: 2364800 -23.2677 -79.1137 -107.147 -80.2402 1.2257 46.0697 -106.609 47.4565 4.13019 TIMING: 2364800 CPU: 7547.83, 0.00320183/step Wall: 7547.83, 0.00320183/step, 2.34374 hours remaining, 239.585938 MB of memory in use. ENERGY: 2364800 4024.3402 20534.4933 14493.7414 258.4136 -203649.8761 2604.4650 0.0000 0.0000 51639.5739 -110094.8486 296.7733 -161734.4226 -109744.3210 297.9701 -65.8823 -33.6339 760640.6921 -5.9080 -5.9706 PRESSURE: 2365000 -49.2719 56.1471 -156.816 56.1475 -61.226 -101.344 -156.815 -101.344 -70.8225 GPRESSURE: 2365000 -5.7638 34.0192 -136.805 21.0032 -70.585 -43.8469 -144.064 -186.854 -26.1632 PRESSAVG: 2365000 1.65945 -56.5663 -44.2507 -56.5663 54.6438 -7.706 -44.2507 -7.70601 6.84079 GPRESSAVG: 2365000 2.27819 -58.2917 -45.2954 -57.8387 54.8329 -8.45491 -44.6304 -6.35973 6.11649 TIMING: 2365000 CPU: 7548.47, 0.00321383/step Wall: 7548.47, 0.00321383/step, 2.35234 hours remaining, 239.585938 MB of memory in use. ENERGY: 2365000 3990.0027 20254.0981 14397.3039 245.3051 -203561.9322 2520.4772 0.0000 0.0000 52067.6226 -110087.1226 299.2333 -162154.7452 -109713.5252 297.6385 -60.4402 -34.1707 762100.7542 21.0480 21.0759 PRESSURE: 2365200 118.581 53.3915 185.571 53.3911 -162.918 142.757 185.572 142.756 200.166 GPRESSURE: 2365200 176.195 124.058 151.245 17.5049 -96.7453 118.495 194.853 -41.0991 166.631 PRESSAVG: 2365200 35.2194 -18.383 -4.28343 -18.383 -13.8658 23.2096 -4.28334 23.2096 7.05216 GPRESSAVG: 2365200 35.253 -18.4719 -4.50667 -16.4176 -13.7249 23.0556 -2.19532 20.6632 6.55613 TIMING: 2365200 CPU: 7549.11, 0.00318754/step Wall: 7549.11, 0.00318754/step, 2.33293 hours remaining, 239.585938 MB of memory in use. ENERGY: 2365200 3949.3737 20499.1548 14386.7849 238.9623 -203522.9987 2583.7618 0.0000 0.0000 51637.8567 -110227.1044 296.7635 -161864.9611 -109864.3504 297.8714 51.9430 82.0266 760687.1788 9.4686 9.3614 PRESSURE: 2365400 -129.785 -141.986 -255.632 -141.986 426.824 15.4679 -255.632 15.4683 -204.399 GPRESSURE: 2365400 -152.939 27.8888 -187.883 -136.732 515.528 55.6497 -211.402 9.42478 -179.781 PRESSAVG: 2365400 10.9678 -21.1267 17.9348 -21.1267 44.8493 -18.1145 17.9347 -18.1145 -13.8752 GPRESSAVG: 2365400 10.9142 -19.768 19.3421 -21.3152 43.7349 -17.3438 17.3258 -15.726 -12.521 TIMING: 2365400 CPU: 7549.74, 0.00317485/step Wall: 7549.74, 0.00317485/step, 2.32346 hours remaining, 239.585938 MB of memory in use. ENERGY: 2365400 3984.9155 20340.4634 14369.9366 227.7696 -203461.5927 2492.9766 0.0000 0.0000 51939.7025 -110105.8286 298.4982 -162045.5310 -109747.5238 297.7815 30.8798 60.9358 758992.4458 13.9807 14.0427 PRESSURE: 2365600 -3.95836 -91.4908 -135.634 -91.492 -110.225 101.467 -135.635 101.467 -319.265 GPRESSURE: 2365600 55.8929 -134.11 -128.318 -62.0997 -75.2775 140.993 -38.5536 37.8282 -350.085 PRESSAVG: 2365600 -6.78633 -24.4827 -36.1633 -24.4827 46.2359 2.05886 -36.1633 2.05895 5.61075 GPRESSAVG: 2365600 -6.22032 -25.1667 -36.0549 -26.0161 46.2336 1.8421 -37.4316 1.73936 4.51271 TIMING: 2365600 CPU: 7550.38, 0.00317455/step Wall: 7550.38, 0.00317455/step, 2.32306 hours remaining, 239.585938 MB of memory in use. ENERGY: 2365600 3999.0369 20314.3308 14362.2907 249.8285 -203915.4272 2917.8637 0.0000 0.0000 51933.7267 -110138.3499 298.4638 -162072.0766 -109783.9919 298.0245 -144.4826 -123.1565 760694.5787 15.0201 14.8420 PRESSURE: 2365800 46.8581 48.0129 123.195 48.0128 46.3491 -29.7129 123.196 -29.7131 348.783 GPRESSURE: 2365800 98.4037 37.9887 121.797 63.8876 72.2161 -96.4567 99.0988 135.787 341.276 PRESSAVG: 2365800 -64.3151 -82.0938 -2.01118 -82.0938 77.3046 22.4593 -2.01117 22.4592 1.24581 GPRESSAVG: 2365800 -66.855 -81.4406 -2.42895 -81.5602 78.2356 22.7206 -0.102731 22.7722 2.57466 TIMING: 2365800 CPU: 7551.01, 0.00315482/step Wall: 7551.01, 0.00315482/step, 2.30845 hours remaining, 239.585938 MB of memory in use. ENERGY: 2365800 4049.3730 20422.8556 14350.3898 234.0934 -203810.7095 2856.1641 0.0000 0.0000 51988.2469 -109909.5866 298.7772 -161897.8335 -109560.5527 298.2710 147.3301 170.6318 762230.8027 4.7451 4.6518 PRESSURE: 2366000 -227.863 -69.9646 -87.7142 -69.9646 -372.96 -112.02 -87.7139 -112.021 49.7592 GPRESSURE: 2366000 -172.339 44.612 -47.8562 -79.5589 -286.107 -168.193 -171.331 -58.7143 -1.81423 PRESSAVG: 2366000 -64.9781 -75.7182 -10.2376 -75.7182 65.9191 38.6309 -10.2376 38.631 -5.13609 GPRESSAVG: 2366000 -64.9316 -75.6406 -9.92578 -77.5598 66.7071 37.4607 -9.87345 40.3229 -5.78136 TIMING: 2366000 CPU: 7551.64, 0.00315139/step Wall: 7551.64, 0.00315139/step, 2.30577 hours remaining, 239.585938 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: 2366000 4017.8962 20369.8393 14361.1674 248.6471 -203560.2929 2619.3907 0.0000 0.0000 51857.7187 -110085.6336 298.0270 -161943.3522 -109729.7168 298.3226 -183.6878 -153.4200 762521.8468 -1.3984 -1.3353 PRESSURE: 2366200 38.826 -216.09 127.569 -216.089 310.731 18.9327 127.569 18.9339 400.58 GPRESSURE: 2366200 55.802 -280.029 38.7011 -213.254 316.157 75.5982 140.692 194.149 461.658 PRESSAVG: 2366200 -76.2268 -97.8704 28.1016 -97.8703 61.2634 55.4438 28.1016 55.4437 3.5763 GPRESSAVG: 2366200 -74.9193 -97.422 27.1584 -96.7966 58.9827 57.2973 26.852 53.4687 4.25842 TIMING: 2366200 CPU: 7552.27, 0.00315616/step Wall: 7552.27, 0.00315616/step, 2.30908 hours remaining, 239.585938 MB of memory in use. ENERGY: 2366200 3991.5455 20568.6492 14462.5407 268.9316 -204131.8869 3375.9619 0.0000 0.0000 51765.4975 -109698.7604 297.4970 -161464.2579 -109353.4313 298.6321 250.0458 277.8724 761046.2073 -3.7957 -3.8927 PRESSURE: 2366400 101.781 64.7471 -65.7349 64.7466 111.248 128.213 -65.7356 128.214 414.798 GPRESSURE: 2366400 109.513 63.313 -90.3782 1.58407 182.217 80.6043 30.3865 50.5929 419.603 PRESSAVG: 2366400 -56.6782 -70.0685 3.5768 -70.0685 68.979 12.619 3.57683 12.6191 -12.4435 GPRESSAVG: 2366400 -58.3188 -71.2762 4.36535 -69.5639 72.0942 11.2355 3.00128 14.3243 -13.8921 TIMING: 2366400 CPU: 7552.9, 0.00313696/step Wall: 7552.9, 0.00313696/step, 2.29486 hours remaining, 239.585938 MB of memory in use. ENERGY: 2366400 4026.1153 20379.2342 14379.3970 235.4310 -203673.8753 2924.4442 0.0000 0.0000 52013.5674 -109715.6863 298.9227 -161729.2537 -109360.6882 298.5866 209.2754 237.1110 761088.4359 -0.0476 -0.0389 PRESSURE: 2366600 -89.7412 27.129 76.9469 27.1291 -152.05 83.7437 76.9462 83.7436 -143.374 GPRESSURE: 2366600 -155.367 101.483 154.592 68.3237 -91.1136 66.0796 -40.2057 215.259 -52.4611 PRESSAVG: 2366600 -47.5833 -55.5064 6.0642 -55.5064 32.7971 60.2069 6.06419 60.2069 -8.93005 GPRESSAVG: 2366600 -45.2883 -53.8797 6.91865 -56.3781 29.4848 61.5429 6.23991 57.771 -8.32045 TIMING: 2366600 CPU: 7553.52, 0.00313774/step Wall: 7553.52, 0.00313774/step, 2.29525 hours remaining, 239.585938 MB of memory in use. ENERGY: 2366600 3979.1714 20445.5727 14444.7089 256.8686 -203870.7830 2979.6847 0.0000 0.0000 52059.0685 -109705.7082 299.1842 -161764.7767 -109351.0614 298.6453 -128.3884 -99.6471 761553.9807 -7.9054 -8.0413 PRESSURE: 2366800 -191.08 -78.6541 -26.6828 -78.6546 180.072 -246.752 -26.6834 -246.754 72.8833 GPRESSURE: 2366800 -159.75 -221.201 -27.9714 -75.6289 261.74 -301.107 -35.4815 -201.293 28.1859 PRESSAVG: 2366800 -65.1292 -7.93425 -22.9379 -7.93427 46.7568 -9.79754 -22.9378 -9.79754 12.7263 GPRESSAVG: 2366800 -65.1044 -6.77295 -23.8079 -6.54534 48.4272 -10.745 -21.9811 -9.30317 10.5332 TIMING: 2366800 CPU: 7554.16, 0.00315452/step Wall: 7554.16, 0.00315452/step, 2.30736 hours remaining, 239.585938 MB of memory in use. ENERGY: 2366800 4010.3739 20481.3000 14437.1566 253.6197 -203141.0967 2417.7494 0.0000 0.0000 51973.3116 -109567.5854 298.6913 -161540.8970 -109213.6465 298.9294 20.6251 43.3920 760743.4241 -1.8820 -2.0480 PRESSURE: 2367000 -102.788 -129.403 261.82 -129.403 -41.6736 -70.8565 261.82 -70.8552 -0.23276 GPRESSURE: 2367000 28.311 -138.805 301.726 -236.704 -107.462 -29.253 163.373 -87.5458 29.0498 PRESSAVG: 2367000 -36.5316 -61.1832 37.7313 -61.1832 71.5299 -41.5851 37.7313 -41.5851 -19.5686 GPRESSAVG: 2367000 -37.8225 -61.9047 38.7986 -64.6662 71.3859 -39.8357 35.6234 -42.3597 -17.7677 TIMING: 2367000 CPU: 7554.78, 0.00314608/step Wall: 7554.78, 0.00314608/step, 2.30101 hours remaining, 239.585938 MB of memory in use. ENERGY: 2367000 3978.5830 20368.9833 14388.4398 249.1127 -203305.2790 2504.6017 0.0000 0.0000 52281.2864 -109534.2721 300.4613 -161815.5585 -109167.2354 299.2533 -48.2314 -16.7004 761258.8185 5.1432 5.2652 PRESSURE: 2367200 61.2738 2.48265 -63.179 2.48141 -175.925 41.7607 -63.1796 41.7598 -154.787 GPRESSURE: 2367200 51.9419 35.8432 -54.366 -83.2317 -49.1875 19.0328 9.30148 171.793 -168.379 PRESSAVG: 2367200 -35.6421 -73.7998 -4.38008 -73.7998 31.9839 -17.8675 -4.38005 -17.8675 18.1514 GPRESSAVG: 2367200 -34.5547 -73.5145 -5.36533 -72.0225 31.7002 -18.6016 -1.88768 -18.775 17.4125 TIMING: 2367200 CPU: 7555.41, 0.00314108/step Wall: 7555.41, 0.00314108/step, 2.29717 hours remaining, 239.585938 MB of memory in use. ENERGY: 2367200 3942.7576 20437.5425 14460.4810 260.2941 -203057.7610 2492.2840 0.0000 0.0000 52093.1279 -109371.2740 299.3799 -161464.4019 -109009.2593 299.8265 -89.8129 -55.2083 761584.4280 4.8311 4.8527 PRESSURE: 2367400 -196.375 -81.0931 112.694 -81.0926 -78.7572 -110.768 112.693 -110.768 53.8212 GPRESSURE: 2367400 -202.66 -181.211 92.3474 -70.8237 60.3143 -56.4214 86.4658 -65.6512 33.7746 PRESSAVG: 2367400 15.382 -33.6975 -25.7023 -33.6975 -34.6253 16.1391 -25.7022 16.1391 -14.73 GPRESSAVG: 2367400 14.9981 -36.056 -25.4398 -32.5225 -33.9361 16.6275 -27.0654 17.0365 -14.3653 TIMING: 2367400 CPU: 7556.05, 0.00316501/step Wall: 7556.05, 0.00316501/step, 2.3145 hours remaining, 239.585938 MB of memory in use. ENERGY: 2367400 4093.4451 20299.9459 14467.4561 230.0610 -203028.9627 2414.1847 0.0000 0.0000 52130.0804 -109393.7894 299.5923 -161523.8698 -109024.8923 299.4786 -73.7704 -36.1905 761764.5834 -11.3244 -11.1011 PRESSURE: 2367600 -199.789 -69.7501 -31.9055 -69.7506 -403.995 -48.1983 -31.9064 -48.199 -510.296 GPRESSURE: 2367600 -101.83 -22.1478 -4.38613 -121.287 -438.772 -122.187 -37.0476 -65.9955 -521.096 PRESSAVG: 2367600 -24.4579 -7.87223 -12.7377 -7.87228 31.1056 -6.06076 -12.7377 -6.06076 12.0832 GPRESSAVG: 2367600 -24.8319 -8.25144 -12.2785 -8.37958 29.5888 -6.37589 -14.8563 -6.82139 13.5533 TIMING: 2367600 CPU: 7556.68, 0.00317499/step Wall: 7556.68, 0.00317499/step, 2.32162 hours remaining, 239.585938 MB of memory in use. ENERGY: 2367600 4011.0576 20597.6390 14401.1391 222.8113 -203013.1266 2378.1516 0.0000 0.0000 52057.5456 -109344.7825 299.1754 -161402.3281 -108995.0157 299.6636 -371.3601 -353.8994 761610.7678 6.2436 6.1034 PRESSURE: 2367800 -155.446 167.497 -182.775 167.497 -195.865 -96.26 -182.775 -96.2599 -131.3 GPRESSURE: 2367800 -119.856 196.227 -92.5054 53.6648 -79.0227 -31.439 -40.2101 -104.015 -197.605 PRESSAVG: 2367800 -12.6161 -62.7569 45.4206 -62.7569 -10.0841 -1.78799 45.4206 -1.788 -5.35697 GPRESSAVG: 2367800 -13.4741 -62.0696 45.801 -64.3744 -8.61411 -1.9681 47.6275 0.32351 -6.43511 TIMING: 2367800 CPU: 7557.31, 0.00316289/step Wall: 7557.31, 0.00316289/step, 2.3126 hours remaining, 239.585938 MB of memory in use. ENERGY: 2367800 3957.6140 20591.4884 14446.8333 257.1978 -203724.9253 2752.2648 0.0000 0.0000 52167.4659 -109552.0612 299.8071 -161719.5271 -109186.6495 299.4535 -160.8704 -132.1611 761142.1834 -9.3524 -9.5078 PRESSURE: 2368000 -59.5155 135.751 123.274 135.751 127.42 -97.04 123.273 -97.0395 -306.595 GPRESSURE: 2368000 -113.472 133.867 86.4465 59.471 233.201 -114.731 182.295 -75.2359 -260.204 PRESSAVG: 2368000 -22.4412 -1.38453 19.1402 -1.38447 54.7474 29.6254 19.1402 29.6254 17.7471 GPRESSAVG: 2368000 -22.9107 -1.55753 18.6961 -0.816765 54.0727 28.3062 19.2332 28.9552 19.1605 TIMING: 2368000 CPU: 7557.94, 0.00314538/step Wall: 7557.94, 0.00314538/step, 2.29963 hours remaining, 239.585938 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: 2368000 4035.1753 20496.1072 14427.5259 245.4394 -203539.9358 2668.0196 0.0000 0.0000 52012.7025 -109654.9659 298.9177 -161667.6684 -109285.4393 299.1811 -79.5634 -46.8252 762469.7504 16.6845 16.7742 PRESSURE: 2368200 16.2096 -28.5111 -2.749 -28.5108 186.886 -2.76746 -2.74823 -2.76693 -186.344 GPRESSURE: 2368200 138.653 -22.3505 80.3398 -14.0061 111.528 -56.4373 2.39314 27.6847 -158.697 PRESSAVG: 2368200 -29.3489 8.43623 12.6738 8.43622 30.8817 41.8611 12.6738 41.8612 -23.9882 GPRESSAVG: 2368200 -27.8432 9.13573 13.617 7.21193 30.3116 42.2703 13.9099 42.1901 -25.5351 TIMING: 2368200 CPU: 7558.57, 0.00315158/step Wall: 7558.57, 0.00315158/step, 2.30398 hours remaining, 239.585938 MB of memory in use. ENERGY: 2368200 4046.0215 20467.1835 14487.2881 223.9462 -203457.2578 2542.7660 0.0000 0.0000 51832.6078 -109857.4447 297.8827 -161690.0525 -109491.6001 298.4910 5.5840 30.4946 759282.1500 -7.4851 -7.6889 LDB: ============= START OF LOAD BALANCING ============== 7571.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7571.03 LDB: =============== DONE WITH MIGRATION ================ 7571.03 LDB: ============= START OF LOAD BALANCING ============== 7571.35 LDB: Largest compute 7026 load 0.034291 is 17.6% of average load 0.195363 LDB: Average compute 0.004391 is 2.2% of average load 0.195363 LDB: TIME 7571.35 LOAD: AVG 0.195363 MAX 0.211909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 7571.35 LOAD: AVG 0.195363 MAX 0.211909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: TIME 7571.35 LOAD: AVG 0.195363 MAX 0.211909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: ============== END OF LOAD BALANCING =============== 7571.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7571.36 PRESSURE: 2368400 -292.329 133.713 -48.2073 133.712 -253.885 -87.8449 -48.2068 -87.8447 -41.7675 GPRESSURE: 2368400 -198.206 64.6852 35.5184 97.9721 -239.047 -139.329 12.0883 9.5629 -54.7716 PRESSAVG: 2368400 -73.0096 -14.0182 29.6141 -14.0182 58.4006 30.5658 29.6141 30.5658 -10.7136 GPRESSAVG: 2368400 -73.517 -14.8368 27.8426 -13.8371 59.3001 32.1367 28.235 28.9077 -10.9167 TIMING: 2368400 CPU: 7559.22, 0.00325733/step Wall: 7559.22, 0.00325733/step, 2.38111 hours remaining, 241.578125 MB of memory in use. ENERGY: 2368400 4034.1169 20472.8509 14500.1856 245.3884 -203179.9253 2081.6640 0.0000 0.0000 52034.9646 -109810.7549 299.0457 -161845.7195 -109460.8866 298.6850 -195.9939 -164.0083 760790.0602 -8.4409 -8.3779 PRESSURE: 2368600 -114.95 -80.7088 -65.2631 -80.7073 3.49337 64.9509 -65.2633 64.9507 -54.8394 GPRESSURE: 2368600 -92.6524 -65.3923 -69.3054 -1.91493 -38.0606 78.5542 -71.3431 7.18918 34.5301 PRESSAVG: 2368600 -23.6015 -52.3788 -9.94566 -52.3788 5.30096 26.2527 -9.94566 26.2527 -1.20383 GPRESSAVG: 2368600 -24.1199 -51.9641 -8.86013 -51.3259 3.95935 24.6188 -9.88064 28.4702 0.324886 TIMING: 2368600 CPU: 7559.87, 0.00320591/step Wall: 7559.87, 0.00320591/step, 2.34334 hours remaining, 241.578125 MB of memory in use. ENERGY: 2368600 4065.7985 20430.5403 14478.4488 252.7443 -203653.1913 2524.2389 0.0000 0.0000 51935.8457 -109965.5749 298.4760 -161901.4205 -109604.3630 298.7906 -55.4320 -32.0610 760838.5383 -6.5015 -6.6119 PRESSURE: 2368800 -138.765 56.674 74.5774 56.6739 -153.202 -107.154 74.5779 -107.155 224.705 GPRESSURE: 2368800 -136.461 -79.113 124.336 49.8755 -72.8661 -47.3302 119.529 -85.3233 229.046 PRESSAVG: 2368800 -32.8529 -34.0411 18.0289 -34.0411 34.6627 51.0112 18.029 51.0112 -16.6662 GPRESSAVG: 2368800 -33.6209 -33.2067 16.589 -34.9668 35.4985 52.3202 18.1728 50.8387 -16.8241 TIMING: 2368800 CPU: 7560.5, 0.00319596/step Wall: 7560.5, 0.00319596/step, 2.33589 hours remaining, 241.578125 MB of memory in use. ENERGY: 2368800 4018.2278 20400.7309 14420.4360 247.1357 -203421.3368 2318.2094 0.0000 0.0000 51846.0863 -110170.5107 297.9602 -162016.5970 -109815.4503 298.0984 -22.4207 6.5729 761391.3684 -4.9521 -4.9822 PRESSURE: 2369000 -27.4386 -113.781 -34.8091 -113.781 -161.618 -105.918 -34.8096 -105.918 18.062 GPRESSURE: 2369000 34.0522 -211.469 -27.716 -60.9157 -134.577 -26.545 -134.653 -52.3258 15.0411 PRESSAVG: 2369000 -62.8934 -45.6514 4.15948 -45.6514 65.1803 23.3196 4.15948 23.3196 -22.6568 GPRESSAVG: 2369000 -63.094 -47.2591 4.5299 -44.8669 65.8775 23.1422 2.22632 21.6851 -23.1489 TIMING: 2369000 CPU: 7561.14, 0.00317019/step Wall: 7561.14, 0.00317019/step, 2.31688 hours remaining, 241.578125 MB of memory in use. ENERGY: 2369000 3966.7605 20487.3904 14421.4005 247.6270 -203652.2945 2621.4486 0.0000 0.0000 51818.9073 -110088.7601 297.8040 -161907.6674 -109739.7778 298.2917 -56.9982 -28.4945 761465.5905 -6.7899 -6.7885 PRESSURE: 2369200 30.5662 -62.0984 -153.821 -62.0985 276.256 -38.7613 -153.822 -38.7618 -131.9 GPRESSURE: 2369200 118.136 -60.128 -122.084 -94.7391 215.888 -4.19082 -50.4863 -71.2175 -55.0468 PRESSAVG: 2369200 8.57452 -41.4661 -20.4439 -41.4662 6.0632 -9.36035 -20.4439 -9.36034 -14.7671 GPRESSAVG: 2369200 9.21112 -41.2216 -19.3282 -40.8268 5.30523 -10.3873 -17.3716 -10.0553 -14.5956 TIMING: 2369200 CPU: 7561.78, 0.00319179/step Wall: 7561.78, 0.00319179/step, 2.33249 hours remaining, 241.578125 MB of memory in use. ENERGY: 2369200 3932.8779 20500.0991 14406.4971 234.0491 -203526.2298 2653.9715 0.0000 0.0000 51803.6060 -109995.1289 297.7160 -161798.7350 -109628.7755 297.7331 58.3073 92.9925 761009.7960 -0.0431 -0.0264 PRESSURE: 2369400 -125.676 -37.7027 172.611 -37.702 -145.859 85.6148 172.611 85.6157 -307.789 GPRESSURE: 2369400 -101.315 -42.2977 181.695 -11.7521 -126.77 11.134 185.541 60.0041 -243.173 PRESSAVG: 2369400 -24.2826 14.4859 -25.0398 14.486 45.8701 -22.2982 -25.0398 -22.2981 -9.46794 GPRESSAVG: 2369400 -24.5089 15.9591 -25.618 14.8634 44.9894 -23.3091 -25.5128 -22.616 -9.17349 TIMING: 2369400 CPU: 7562.41, 0.00317302/step Wall: 7562.41, 0.00317302/step, 2.3186 hours remaining, 241.578125 MB of memory in use. ENERGY: 2369400 4047.3855 20594.2303 14478.5333 267.2258 -203452.9693 2512.8839 0.0000 0.0000 51794.0938 -109758.6167 297.6614 -161552.7104 -109409.5233 298.6331 -193.1078 -157.0860 761550.1478 4.0399 3.7690 PRESSURE: 2369600 -173.322 -143.606 241.625 -143.606 -128.052 -64.9623 241.626 -64.9637 -42.9195 GPRESSURE: 2369600 -162.321 -122.585 201.372 -166.209 24.3949 -8.58275 215.094 -4.00427 -106.455 PRESSAVG: 2369600 -9.52283 -13.8657 59.9707 -13.8657 -0.787322 20.1097 59.9706 20.1097 -2.59857 GPRESSAVG: 2369600 -8.77865 -15.9915 60.8686 -13.1763 0.500818 21.9387 60.2471 20.6515 -4.51089 TIMING: 2369600 CPU: 7563.04, 0.00315012/step Wall: 7563.04, 0.00315012/step, 2.30169 hours remaining, 241.578125 MB of memory in use. ENERGY: 2369600 3953.0654 20447.2807 14525.6143 267.8135 -203395.7119 2446.9727 0.0000 0.0000 52021.6728 -109733.2924 298.9693 -161754.9652 -109370.5810 298.9116 -114.7644 -81.4602 760890.2322 -4.3029 -4.2629 PRESSURE: 2369800 -241.784 186.141 -33.8016 186.141 -124.963 74.7306 -33.802 74.7306 207.249 GPRESSURE: 2369800 -251.025 30.4508 -36.2393 92.2184 -50.8035 55.8237 46.1343 -66.316 229.823 PRESSAVG: 2369800 -14.5407 -69.1175 56.3971 -69.1175 32.2164 42.3981 56.397 42.3981 -14.7957 GPRESSAVG: 2369800 -14.9743 -67.8751 56.2373 -72.047 32.5127 42.2227 55.8248 45.1042 -14.2534 TIMING: 2369800 CPU: 7563.67, 0.00314478/step Wall: 7563.67, 0.00314478/step, 2.29761 hours remaining, 241.578125 MB of memory in use. ENERGY: 2369800 3988.6958 20687.6680 14476.7005 233.4944 -203522.3762 2395.8328 0.0000 0.0000 52035.9583 -109704.0264 299.0514 -161739.9847 -109349.7821 299.0901 -53.1658 -24.0017 759568.0731 0.9600 1.0950 PRESSURE: 2370000 136.522 -79.0746 80.3385 -79.0743 -129.937 192.625 80.3382 192.626 142.979 GPRESSURE: 2370000 213.728 -174.081 98.3264 -73.4394 -194.113 187.821 60.3759 175.162 202.673 PRESSAVG: 2370000 -27.5952 -20.8415 23.1292 -20.8415 40.9569 -3.89949 23.1292 -3.89947 29.3578 GPRESSAVG: 2370000 -27.6272 -21.7011 22.4375 -19.0687 39.6905 -3.3331 22.9861 -6.25381 30.2745 TIMING: 2370000 CPU: 7564.31, 0.00318935/step Wall: 7564.31, 0.00318935/step, 2.33 hours remaining, 241.578125 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: 2370000 3939.6823 20425.3986 14502.8995 266.6845 -203198.9193 2368.7269 0.0000 0.0000 52057.6243 -109637.9032 299.1759 -161695.5275 -109282.0461 299.3555 49.8547 74.0963 761140.7135 14.2398 14.1126 PRESSURE: 2370200 -51.2712 131.127 -129.603 131.128 139.549 81.5584 -129.604 81.559 -2.61584 GPRESSURE: 2370200 -66.3721 136.359 -66.0673 163.193 164.98 100.415 -139.741 40.6285 59.8648 PRESSAVG: 2370200 58.3715 -27.9857 -62.2566 -27.9857 -18.9151 4.4138 -62.2566 4.41384 24.237 GPRESSAVG: 2370200 58.7187 -27.7274 -61.3905 -28.1009 -19.0964 3.80718 -61.6691 3.11105 24.2492 TIMING: 2370200 CPU: 7564.94, 0.0031685/step Wall: 7564.94, 0.00316851/step, 2.31459 hours remaining, 241.578125 MB of memory in use. ENERGY: 2370200 3996.2256 20420.3476 14441.9781 258.9856 -203105.8582 2519.4147 0.0000 0.0000 51901.4786 -109567.4280 298.2785 -161468.9065 -109198.4658 299.5621 28.5540 52.8242 760042.1577 21.2311 21.2905 PRESSURE: 2370400 125.211 44.8396 -60.0983 44.8397 40.0667 -22.7658 -60.0984 -22.7658 12.5392 GPRESSURE: 2370400 113.129 6.49926 -67.2031 78.7782 87.0874 -41.576 -33.8303 -41.1318 58.9597 PRESSAVG: 2370400 1.36137 -28.3922 -38.6355 -28.3922 14.0955 61.7649 -38.6355 61.7649 2.80925 GPRESSAVG: 2370400 1.46343 -28.4586 -37.398 -29.1772 14.3918 61.857 -40.0655 63.3138 2.38336 TIMING: 2370400 CPU: 7565.58, 0.00318979/step Wall: 7565.58, 0.00318979/step, 2.32996 hours remaining, 241.578125 MB of memory in use. ENERGY: 2370400 4032.1616 20440.3499 14446.1119 244.8544 -203069.4856 2439.9893 0.0000 0.0000 51947.2896 -109518.7289 298.5418 -161466.0186 -109168.6046 299.0436 59.2723 86.3920 761609.0612 6.0887 6.0795 PRESSURE: 2370600 195.322 -117.502 124.894 -117.502 153.757 53.3493 124.894 53.3498 187.301 GPRESSURE: 2370600 231.913 -249.776 111.73 -172.496 244.807 72.3842 72.4569 160.925 147.699 PRESSAVG: 2370600 -9.41096 -27.1566 -14.6085 -27.1566 14.4505 14.493 -14.6085 14.4929 19.4459 GPRESSAVG: 2370600 -9.33715 -27.4567 -14.9396 -25.5795 15.1685 13.6474 -14.6472 14.5965 18.9151 TIMING: 2370600 CPU: 7566.21, 0.00316302/step Wall: 7566.21, 0.00316302/step, 2.31023 hours remaining, 241.578125 MB of memory in use. ENERGY: 2370600 3980.6487 20375.1422 14474.3245 260.3184 -202662.8612 2221.6389 0.0000 0.0000 52072.3240 -109278.4645 299.2604 -161350.7885 -108921.1874 299.2113 178.7931 208.1396 760042.7404 8.1618 8.2488 PRESSURE: 2370800 -224.447 -50.5486 -80.9519 -50.5486 80.3301 294.749 -80.9515 294.749 -36.7164 GPRESSURE: 2370800 -123.379 127.478 -81.8836 -87.1762 91.824 141.662 -20.1677 318.035 -55.7839 PRESSAVG: 2370800 29.3383 -14.0471 -18.3648 -14.0471 -9.23399 48.314 -18.3648 48.3141 -10.4131 GPRESSAVG: 2370800 29.1935 -13.1475 -18.678 -14.0486 -9.09237 48.7772 -19.0417 48.1626 -10.2631 TIMING: 2370800 CPU: 7566.85, 0.00318465/step Wall: 7566.85, 0.00318464/step, 2.32585 hours remaining, 241.578125 MB of memory in use. ENERGY: 2370800 3953.7834 20451.8429 14570.4016 250.2522 -202955.0007 2289.4476 0.0000 0.0000 52111.8272 -109327.4458 299.4874 -161439.2731 -108960.3988 299.6527 -60.2778 -29.1130 760824.0694 3.2304 3.2793 PRESSURE: 2371000 -74.2236 -240.2 120.119 -240.201 71.0483 -42.4614 120.119 -42.4618 -94.3138 GPRESSURE: 2371000 -35.6786 -342.061 181.033 -203.046 106.464 -43.7386 101.642 -22.6813 -94.7392 PRESSAVG: 2371000 17.2056 -31.1611 38.4373 -31.1611 -36.1166 14.9053 38.4372 14.9052 7.78938 GPRESSAVG: 2371000 17.7666 -30.4707 38.836 -32.5762 -36.1401 16.1475 38.9352 15.2713 6.98598 TIMING: 2371000 CPU: 7567.48, 0.00314954/step Wall: 7567.48, 0.00314954/step, 2.30004 hours remaining, 241.578125 MB of memory in use. ENERGY: 2371000 4001.6947 20261.7035 14504.7699 254.1863 -202849.2638 2232.9323 0.0000 0.0000 52126.4037 -109467.5734 299.5712 -161593.9771 -109109.4883 299.7239 -32.4964 -7.9846 760758.1005 -3.7072 -3.7959 PRESSURE: 2371200 -401.082 -67.9 35.1462 -67.9003 -238.235 -10.1505 35.1463 -10.1508 -297.62 GPRESSURE: 2371200 -265.761 -112.32 -39.4929 -167.213 -211.661 -53.6531 89.8092 17.4108 -367.386 PRESSAVG: 2371200 21.7282 -49.3538 -3.982 -49.3539 -40.4023 -8.33652 -3.98204 -8.33666 0.287796 GPRESSAVG: 2371200 21.9507 -50.1842 -6.88633 -50.4934 -41.0538 -9.50171 -5.35048 -7.57861 1.2931 TIMING: 2371200 CPU: 7568.11, 0.00314219/step Wall: 7568.11, 0.00314219/step, 2.2945 hours remaining, 241.578125 MB of memory in use. ENERGY: 2371200 4049.9027 20402.3967 14446.2885 248.0664 -202824.1091 2381.0536 0.0000 0.0000 52015.6910 -109280.7102 298.9349 -161296.4012 -108917.6079 299.4121 -312.3120 -281.6026 762443.3309 -6.1288 -5.9367 PRESSURE: 2371400 540.301 -89.3505 68.092 -89.3512 516.435 -11.7956 68.0916 -11.7961 405.244 GPRESSURE: 2371400 577.318 2.12142 99.8576 -25.1744 513.007 -30.762 -36.1009 19.509 439.499 PRESSAVG: 2371400 29.792 8.85505 -26.7404 8.85503 -7.11791 6.38639 -26.7404 6.38637 4.33813 GPRESSAVG: 2371400 29.4241 10.9311 -23.3039 11.1019 -7.49119 6.39918 -26.0963 4.25591 4.65188 TIMING: 2371400 CPU: 7568.74, 0.00316933/step Wall: 7568.74, 0.00316933/step, 2.31414 hours remaining, 241.578125 MB of memory in use. ENERGY: 2371400 3957.5749 20423.7281 14441.7738 275.1926 -203567.6734 2850.2759 0.0000 0.0000 52103.1234 -109516.0045 299.4374 -161619.1279 -109151.1630 299.3421 487.3266 509.9413 760243.4070 9.0041 8.8616 PRESSURE: 2371600 -98.1101 -177.097 -213.691 -177.097 237.814 -141.48 -213.691 -141.479 27.3913 GPRESSURE: 2371600 -78.9699 -73.6789 -295.981 -115.735 326.156 -52.3745 -156.673 -156.892 43.5297 PRESSAVG: 2371600 16.8349 2.8716 11.5139 2.87162 38.825 -2.83602 11.5138 -2.83606 8.49253 GPRESSAVG: 2371600 17.5066 2.05253 10.1926 2.81357 38.8015 -1.17895 11.8379 -1.74847 7.97811 TIMING: 2371600 CPU: 7569.38, 0.00319513/step Wall: 7569.38, 0.00319513/step, 2.3328 hours remaining, 241.578125 MB of memory in use. ENERGY: 2371600 4026.4827 20537.5939 14426.9510 249.5898 -203197.2670 2407.7957 0.0000 0.0000 51921.0149 -109627.8391 298.3908 -161548.8540 -109270.8778 299.0242 55.6985 96.9052 761032.5622 21.3841 21.4287 PRESSURE: 2371800 56.31 -117.005 -168.215 -117.005 -108.223 91.9789 -168.215 91.9788 -53.3499 GPRESSURE: 2371800 64.0386 -173.797 -86.9417 -126.382 -9.99391 99.9539 -84.1406 69.8831 -81.0354 PRESSAVG: 2371800 -29.9806 -25.4326 -31.4263 -25.4326 19.2629 -6.64576 -31.4264 -6.64579 -24.7963 GPRESSAVG: 2371800 -30.9336 -25.4775 -31.5639 -25.4223 20.2392 -7.17141 -31.8776 -6.66024 -24.3986 TIMING: 2371800 CPU: 7570.01, 0.00315827/step Wall: 7570.01, 0.00315827/step, 2.30571 hours remaining, 241.578125 MB of memory in use. ENERGY: 2371800 4034.4069 20450.6596 14506.1195 250.6798 -203337.1732 2299.5775 0.0000 0.0000 52012.5368 -109783.1931 298.9168 -161795.7299 -109425.2243 299.3978 -35.0877 -8.9969 760259.0698 -11.8380 -11.6977 PRESSURE: 2372000 0.0526164 24.5062 -1.35599 24.5072 -161.821 167.107 -1.35631 167.107 -39.3793 GPRESSURE: 2372000 89.1255 43.4798 -67.5133 47.1158 -190.979 161.175 -44.0952 73.8131 -16.3692 PRESSAVG: 2372000 2.53105 -32.3838 15.4845 -32.3839 17.3866 15.9575 15.4845 15.9575 -9.02108 GPRESSAVG: 2372000 2.52327 -33.3473 13.6637 -33.1194 16.2659 14.5827 16.6028 14.1534 -7.77034 TIMING: 2372000 CPU: 7570.65, 0.00316785/step Wall: 7570.65, 0.00316785/step, 2.31253 hours remaining, 241.578125 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: 2372000 4021.9649 20384.2227 14425.5217 251.3806 -203680.4516 2410.6081 0.0000 0.0000 52119.6127 -110067.1411 299.5321 -162186.7538 -109702.7664 298.7361 -67.0491 -39.4077 760223.9380 3.6322 3.6730 PRESSURE: 2372200 229.887 -323.321 5.01905 -323.321 88.324 38.6937 5.01893 38.6937 168.266 GPRESSURE: 2372200 257.343 -137.725 -0.549789 -239.616 131.029 -15.8188 -12.9741 153.322 202.059 PRESSAVG: 2372200 39.813 -8.01273 -27.2586 -8.01274 -21.3372 44.2768 -27.2586 44.2768 -22.7642 GPRESSAVG: 2372200 39.9147 -8.43605 -25.7255 -7.96685 -20.9887 44.0099 -28.2962 46.1832 -23.1469 TIMING: 2372200 CPU: 7571.28, 0.00318585/step Wall: 7571.28, 0.00318585/step, 2.32549 hours remaining, 241.578125 MB of memory in use. ENERGY: 2372200 3893.9308 20347.6408 14502.1443 249.6809 -203838.6069 2727.1485 0.0000 0.0000 51814.8224 -110303.2392 297.7805 -162118.0616 -109934.7267 298.1336 162.1591 196.8101 759893.6600 -1.4295 -1.4069 LDB: ============= START OF LOAD BALANCING ============== 7583.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7583.74 LDB: =============== DONE WITH MIGRATION ================ 7583.74 LDB: ============= START OF LOAD BALANCING ============== 7584.06 LDB: Largest compute 7057 load 0.035480 is 18.2% of average load 0.195274 LDB: Average compute 0.004386 is 2.2% of average load 0.195274 LDB: TIME 7584.06 LOAD: AVG 0.195274 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.996 MB LDB: TIME 7584.06 LOAD: AVG 0.195274 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241 MB LDB: TIME 7584.06 LOAD: AVG 0.195274 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241 MB LDB: ============== END OF LOAD BALANCING =============== 7584.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7584.07 PRESSURE: 2372400 -278.555 -199.617 18.2317 -199.617 -238.783 213.941 18.2328 213.941 -311.902 GPRESSURE: 2372400 -250.881 -160.086 -0.078385 -221.427 -229.81 139.876 -10.1084 190.239 -282.15 PRESSAVG: 2372400 24.5173 -74.7739 -7.98146 -74.7739 23.2838 -13.3081 -7.98144 -13.3081 36.5345 GPRESSAVG: 2372400 25.387 -73.8092 -9.28378 -75.6556 24.3178 -12.6347 -7.64108 -15.5069 35.411 TIMING: 2372400 CPU: 7571.94, 0.00326079/step Wall: 7571.94, 0.00326079/step, 2.38002 hours remaining, 242.089844 MB of memory in use. ENERGY: 2372400 4016.1289 20424.7248 14433.7202 246.9582 -203381.9547 2437.5714 0.0000 0.0000 51554.6379 -110268.2134 296.2852 -161822.8512 -109898.4251 297.8115 -276.4132 -254.2804 760735.7302 28.1119 28.3719 PRESSURE: 2372600 135.744 -119.673 71.8211 -119.672 288.479 -68.2499 71.8202 -68.2499 -69.1055 GPRESSURE: 2372600 250.523 -162.632 76.719 -144.505 184.938 -24.6522 -66.0428 25.3317 18.3507 PRESSAVG: 2372600 -5.51419 -71.5477 -38.2767 -71.5477 16.4213 -32.1339 -38.2766 -32.1339 -20.0992 GPRESSAVG: 2372600 -5.40987 -71.866 -37.1934 -69.8198 15.3721 -31.5807 -37.7857 -30.0398 -19.1823 TIMING: 2372600 CPU: 7572.57, 0.0031768/step Wall: 7572.57, 0.0031768/step, 2.31853 hours remaining, 242.089844 MB of memory in use. ENERGY: 2372600 3920.6593 20327.4229 14459.6227 253.1258 -203616.8411 2578.4453 0.0000 0.0000 51899.1277 -110178.4374 298.2650 -162077.5651 -109809.0620 297.5928 118.3724 151.2707 761002.8103 -3.0640 -3.0734 PRESSURE: 2372800 373.436 -172.569 31.5129 -172.568 289.743 74.1803 31.5124 74.1793 441.325 GPRESSURE: 2372800 499.156 -219.214 66.7953 -130.869 233.375 195.313 12.9143 79.6639 453.623 PRESSAVG: 2372800 13.9703 -22.8606 -6.67238 -22.8606 -7.60621 31.4246 -6.67235 31.4247 -2.82504 GPRESSAVG: 2372800 14.1011 -22.7375 -5.9701 -22.6024 -7.90862 31.2002 -8.64499 32.5917 -2.88251 TIMING: 2372800 CPU: 7573.21, 0.00319077/step Wall: 7573.21, 0.00319077/step, 2.32855 hours remaining, 242.089844 MB of memory in use. ENERGY: 2372800 3991.8475 20431.8854 14461.0810 269.1275 -203809.6729 2911.4235 0.0000 0.0000 51627.8875 -110116.4205 296.7062 -161744.3079 -109765.3895 297.6752 368.1680 395.3851 759634.7804 1.1797 1.1033 PRESSURE: 2373000 -229.69 54.2095 115.583 54.2092 -96.6621 -240.087 115.582 -240.087 -6.65272 GPRESSURE: 2373000 -119.951 111.649 96.4405 -84.3776 -83.2838 -325.851 176.907 -242.614 -46.115 PRESSAVG: 2373000 -31.7537 -12.6708 -9.93156 -12.6708 9.91015 -23.722 -9.93161 -23.722 11.2127 GPRESSAVG: 2373000 -32.3533 -13.3104 -11.1527 -13.8605 11.1333 -24.1003 -7.73118 -25.9624 10.4435 TIMING: 2373000 CPU: 7573.85, 0.00319393/step Wall: 7573.85, 0.00319393/step, 2.33068 hours remaining, 242.089844 MB of memory in use. ENERGY: 2373000 4014.7098 20323.3330 14474.7193 237.9040 -203418.3701 2468.7040 0.0000 0.0000 51848.8753 -110050.1247 297.9762 -161899.0001 -109683.8912 297.8912 -111.0015 -83.1167 760418.2494 -3.5436 -3.5922 PRESSURE: 2373200 102.579 86.9271 -123.818 86.9266 156.875 -36.6689 -123.818 -36.67 -150.985 GPRESSURE: 2373200 149.413 105.515 -123.197 75.5364 100.643 -101.685 -208.697 100.537 -63.5819 PRESSAVG: 2373200 -0.59503 -5.10619 -35.7701 -5.10614 29.0491 -32.8171 -35.7701 -32.8171 -2.82056 GPRESSAVG: 2373200 -0.873017 -5.70762 -35.4429 -4.36514 28.8706 -34.62 -37.7375 -30.4477 -2.68288 TIMING: 2373200 CPU: 7574.49, 0.00319683/step Wall: 7574.49, 0.00319683/step, 2.33262 hours remaining, 242.089844 MB of memory in use. ENERGY: 2373200 3949.5949 20333.5673 14481.4680 233.5176 -203892.6460 2901.6376 0.0000 0.0000 51963.7322 -110029.1285 298.6363 -161992.8607 -109664.6877 298.3101 36.1562 62.1580 760971.7219 8.5445 8.4382 PRESSURE: 2373400 95.1879 -203.366 -295.668 -203.366 110.891 -101.249 -295.667 -101.25 230.134 GPRESSURE: 2373400 144.407 -214.325 -197.425 -214.124 195.71 -86.5555 -254.619 2.59443 179.663 PRESSAVG: 2373400 27.6969 -28.775 -73.0403 -28.775 -3.07078 44.2627 -73.0403 44.2628 -19.9382 GPRESSAVG: 2373400 26.8536 -26.6329 -71.1467 -29.4999 -2.8503 47.7825 -72.3844 43.4582 -19.2659 TIMING: 2373400 CPU: 7575.13, 0.0031914/step Wall: 7575.13, 0.0031914/step, 2.32848 hours remaining, 242.089844 MB of memory in use. ENERGY: 2373400 3906.1279 20387.5736 14497.9272 269.0312 -203746.8169 2819.5945 0.0000 0.0000 51991.5533 -109875.0091 298.7962 -161866.5625 -109508.7341 298.1834 145.4044 173.2603 759141.6664 1.5626 1.5791 PRESSURE: 2373600 310.17 208.708 5.98179 208.708 46.3673 -11.1412 5.98106 -11.1423 26.2563 GPRESSURE: 2373600 337.885 189.074 -44.0325 207.802 31.4322 -18.9 -16.7273 -48.3483 112.933 PRESSAVG: 2373600 -1.0848 -45.2427 -51.0529 -45.2427 0.219946 -41.9054 -51.053 -41.9055 23.072 GPRESSAVG: 2373600 0.300429 -46.0987 -52.3199 -45.8007 -1.11461 -44.5606 -50.4477 -41.8932 23.5286 TIMING: 2373600 CPU: 7575.76, 0.00318281/step Wall: 7575.76, 0.00318281/step, 2.32204 hours remaining, 242.089844 MB of memory in use. ENERGY: 2373600 3976.2896 20518.3872 14419.0926 239.9957 -203390.7977 2410.3745 0.0000 0.0000 52141.4450 -109685.2130 299.6576 -161826.6580 -109322.0669 298.8758 127.5980 160.7499 759547.3350 7.4024 7.5715 PRESSURE: 2373800 14.057 -46.7578 -96.753 -46.758 -382.098 17.4061 -96.7527 17.4054 -139.457 GPRESSURE: 2373800 40.467 -108.916 -52.5973 -120.489 -343.132 -20.114 -71.4038 -25.0488 -110.63 PRESSAVG: 2373800 28.0338 -19.9116 6.01745 -19.9116 -49.615 6.51879 6.01747 6.51875 -5.74592 GPRESSAVG: 2373800 26.3838 -19.394 5.35914 -17.3815 -47.7893 7.15211 5.09173 6.18207 -6.26587 TIMING: 2373800 CPU: 7576.4, 0.00316691/step Wall: 7576.4, 0.00316691/step, 2.31026 hours remaining, 242.089844 MB of memory in use. ENERGY: 2373800 4080.8883 20623.0146 14519.7257 254.8895 -203533.5326 2399.7142 0.0000 0.0000 51976.3938 -109678.9066 298.7090 -161655.3003 -109310.0710 299.1662 -169.1658 -137.7650 761318.3219 -9.1090 -9.2238 PRESSURE: 2374000 17.6329 42.5472 191.316 42.5482 22.3941 -13.5328 191.317 -13.5329 -45.8656 GPRESSURE: 2374000 26.1144 86.4837 181.948 -63.0001 100.133 16.8794 232.154 178.618 -52.513 PRESSAVG: 2374000 31.4516 -34.1541 -7.7301 -34.1542 -39.0196 22.0922 -7.73007 22.0921 17.4604 GPRESSAVG: 2374000 32.3749 -34.2539 -6.47806 -36.908 -38.725 23.1972 -8.67 22.5235 16.3724 TIMING: 2374000 CPU: 7577.03, 0.00317481/step Wall: 7577.03, 0.00317481/step, 2.31585 hours remaining, 242.089844 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: 2374000 3870.1816 20458.4106 14474.1097 250.1026 -203183.5171 2222.3068 0.0000 0.0000 52111.3498 -109797.0560 299.4846 -161908.4058 -109420.0754 298.6377 -1.9462 24.5781 759127.6809 3.2975 3.3408 PRESSURE: 2374200 -141.643 -89.5181 -108.547 -89.518 -418.969 -306.307 -108.548 -306.307 -253.847 GPRESSURE: 2374200 -208.065 -52.9124 0.286806 -147.483 -250.565 -240.902 -143.716 -226.888 -263.328 PRESSAVG: 2374200 -42.5743 -28.4657 -16.9384 -28.4656 39.0717 -47.7406 -16.9385 -47.7406 7.55232 GPRESSAVG: 2374200 -42.6604 -27.5301 -17.99 -27.7805 38.1279 -46.9424 -16.7483 -50.0618 8.4777 TIMING: 2374200 CPU: 7577.67, 0.00318495/step Wall: 7577.67, 0.00318495/step, 2.32307 hours remaining, 242.089844 MB of memory in use. ENERGY: 2374200 3977.7000 20580.9773 14422.1604 278.1227 -203359.1469 2553.7928 0.0000 0.0000 51889.2482 -109657.1455 298.2082 -161546.3937 -109303.6748 298.4270 -271.4866 -240.6528 761190.7965 1.3499 1.3150 PRESSURE: 2374400 7.51931 12.9892 75.6222 12.989 -408.786 -214.524 75.6231 -214.524 -154.281 GPRESSURE: 2374400 -101.024 -15.4228 28.8628 36.0343 -236.836 -268.41 138.137 -161.133 -144.045 PRESSAVG: 2374400 -9.23489 -61.5539 37.8895 -61.5539 18.1136 3.06977 37.8895 3.06985 -22.7018 GPRESSAVG: 2374400 -9.28128 -64.5001 39.5299 -60.1434 17.9291 0.883728 40.6159 6.44288 -22.4099 TIMING: 2374400 CPU: 7578.3, 0.00317135/step Wall: 7578.3, 0.00317135/step, 2.31297 hours remaining, 242.089844 MB of memory in use. ENERGY: 2374400 4011.1658 20517.4097 14419.2868 255.1114 -203552.2451 2498.0637 0.0000 0.0000 52055.8235 -109795.3842 299.1655 -161851.2077 -109427.2423 298.7246 -185.1827 -160.6349 761290.0036 -4.6077 -4.5874 PRESSURE: 2374600 224.996 82.1596 163.391 82.1594 24.4141 -117.537 163.391 -117.537 288.626 GPRESSURE: 2374600 257.879 148.201 169.526 112.535 22.7466 -115.744 198.006 -43.1829 348.191 PRESSAVG: 2374600 -14.1802 -25.1247 -5.41968 -25.1247 16.2668 -14.5715 -5.41961 -14.5715 -1.43488 GPRESSAVG: 2374600 -14.2268 -21.8953 -7.44827 -28.7044 16.6787 -13.809 -6.89208 -14.0113 -2.11828 TIMING: 2374600 CPU: 7578.93, 0.00316479/step Wall: 7578.93, 0.00316479/step, 2.30801 hours remaining, 242.089844 MB of memory in use. ENERGY: 2374600 3973.4860 20510.5957 14491.1136 234.8273 -203630.4670 2761.9111 0.0000 0.0000 52032.1152 -109626.4181 299.0293 -161658.5333 -109267.9028 298.8099 179.3453 209.6056 758735.3591 0.2172 0.1112 PRESSURE: 2374800 -72.4784 69.2284 75.0043 69.2305 -204.885 102.547 75.0044 102.548 -9.38427 GPRESSURE: 2374800 5.07397 50.0731 87.8067 -84.287 -201.664 4.67294 97.297 82.4487 7.40284 PRESSAVG: 2374800 22.9634 -42.4149 28.0743 -42.4148 -7.96255 -30.5797 28.0743 -30.5798 13.9972 GPRESSAVG: 2374800 23.4009 -46.2466 28.5472 -40.2068 -7.20082 -30.294 29.5968 -30.9938 13.7178 TIMING: 2374800 CPU: 7579.57, 0.00317322/step Wall: 7579.57, 0.00317322/step, 2.31399 hours remaining, 242.089844 MB of memory in use. ENERGY: 2374800 3955.5012 20396.6963 14508.5297 245.3831 -203333.4407 2499.3050 0.0000 0.0000 51752.0921 -109975.9333 297.4200 -161728.0254 -109615.8035 298.4159 -95.5825 -63.0625 758655.6939 9.6660 9.9726 PRESSURE: 2375000 -228.009 64.6163 -46.4106 64.617 -255.314 48.7237 -46.4098 48.7252 -113.401 GPRESSURE: 2375000 -186.401 -30.6201 -77.6261 89.369 -192.743 -74.7949 -114.786 81.9126 -129.392 PRESSAVG: 2375000 27.8971 -61.845 44.521 -61.8451 3.49271 12.3691 44.5211 12.3692 -8.33792 GPRESSAVG: 2375000 28.0981 -61.0391 45.3789 -62.4736 2.44208 12.5792 43.5439 10.8261 -7.92497 TIMING: 2375000 CPU: 7580.2, 0.00316348/step Wall: 7580.2, 0.00316348/step, 2.30671 hours remaining, 242.089844 MB of memory in use. ENERGY: 2375000 4059.3173 20336.4600 14440.3303 258.4305 -203797.7397 2488.2548 0.0000 0.0000 52243.5777 -109971.3691 300.2446 -162214.9467 -109617.0714 298.5832 -198.9080 -169.5120 758700.6031 7.6840 7.5384 PRESSURE: 2375200 94.9305 -166.346 -15.4387 -166.346 573.282 -106.693 -15.4382 -106.693 -154.153 GPRESSURE: 2375200 106.898 -187.943 33.7396 -327.314 612.653 -65.7933 3.25526 -221.175 -113.313 PRESSAVG: 2375200 -20.5101 -54.1596 15.816 -54.1595 -20.1209 54.5638 15.816 54.5637 -9.75257 GPRESSAVG: 2375200 -20.2183 -52.7937 16.7044 -55.5028 -20.1702 53.4703 13.7123 54.9872 -10.271 TIMING: 2375200 CPU: 7580.84, 0.00316535/step Wall: 7580.84, 0.00316535/step, 2.3079 hours remaining, 242.089844 MB of memory in use. ENERGY: 2375200 3967.9628 20506.7705 14409.0703 217.1987 -203754.2961 2836.2632 0.0000 0.0000 51863.4410 -109953.5895 298.0599 -161817.0306 -109590.1010 298.5830 171.3531 202.0793 760594.0420 -16.7945 -16.8865 PRESSURE: 2375400 -153.811 -188.81 -154.077 -188.81 223.995 -242.972 -154.077 -242.973 511.465 GPRESSURE: 2375400 -24.0627 -254.917 -144.591 -264.185 177.764 -236.984 -87.4011 -200.402 502.177 PRESSAVG: 2375400 -18.5586 -11.8894 -41.0199 -11.8893 -9.36422 -8.25012 -41.0199 -8.25013 -7.32965 GPRESSAVG: 2375400 -17.5998 -12.2753 -43.0532 -10.4472 -9.60862 -7.94802 -38.4114 -9.95951 -8.16956 TIMING: 2375400 CPU: 7581.47, 0.00316539/step Wall: 7581.47, 0.00316539/step, 2.30775 hours remaining, 242.089844 MB of memory in use. ENERGY: 2375400 4031.5159 20447.0898 14456.2445 246.7949 -203752.9399 2677.8763 0.0000 0.0000 51916.3870 -109977.0315 298.3642 -161893.4185 -109617.1078 298.2958 193.8829 218.6261 761905.8128 -11.7508 -11.7927 PRESSURE: 2375600 66.1273 -6.58362 -39.5479 -6.58456 -409.592 187.339 -39.5488 187.339 -177.659 GPRESSURE: 2375600 76.6734 28.2252 -197.942 119.506 -332.786 313.123 16.3608 95.0811 -176.063 PRESSAVG: 2375600 0.0563359 35.9857 -24.1407 35.9856 20.5428 17.8399 -24.1407 17.8398 7.01581 GPRESSAVG: 2375600 -0.511033 36.2798 -23.2248 35.5531 19.91 18.6405 -26.3394 19.311 8.51023 TIMING: 2375600 CPU: 7582.1, 0.00314063/step Wall: 7582.1, 0.00314063/step, 2.28952 hours remaining, 242.089844 MB of memory in use. ENERGY: 2375600 4000.6240 20352.5301 14518.3703 231.2264 -203433.0497 2512.8102 0.0000 0.0000 51737.7409 -110079.7479 297.3375 -161817.4888 -109711.2548 297.8896 -173.7080 -144.0585 762783.0054 9.2050 9.3031 PRESSURE: 2375800 -7.71761 -46.2005 -191.269 -46.2017 -37.2467 -223.696 -191.269 -223.696 99.9344 GPRESSURE: 2375800 22.9807 -88.32 -152.562 -29.1856 -6.73516 -240.306 51.3994 -178.427 115.577 PRESSAVG: 2375800 4.92709 57.6964 -7.7632 57.6965 21.2274 -4.93332 -7.76324 -4.9333 0.102135 GPRESSAVG: 2375800 3.89828 58.2262 -6.22467 59.1543 21.4632 -3.48991 -7.575 -6.7299 0.768203 TIMING: 2375800 CPU: 7582.73, 0.00316624/step Wall: 7582.73, 0.00316625/step, 2.30802 hours remaining, 242.089844 MB of memory in use. ENERGY: 2375800 3924.5517 20524.7622 14396.7500 224.3547 -203352.9126 2376.3931 0.0000 0.0000 51973.5340 -109932.5669 298.6926 -161906.1009 -109574.6884 298.0631 18.3234 43.9410 760762.0740 8.7522 8.7099 PRESSURE: 2376000 -342.416 15.6435 98.0953 15.643 -367.42 124.883 98.0947 124.883 -305.106 GPRESSURE: 2376000 -303.99 7.65587 33.4343 31.8735 -319.35 75.964 89.6798 32.1256 -295.361 PRESSAVG: 2376000 21.7705 18.7748 -60.1548 18.7747 -3.57129 2.1296 -60.1547 2.12967 -3.68073 GPRESSAVG: 2376000 22.6544 18.2276 -61.1397 18.6059 -3.54605 0.962373 -57.9323 3.89314 -4.39067 TIMING: 2376000 CPU: 7583.36, 0.00316423/step Wall: 7583.36, 0.00316423/step, 2.30637 hours remaining, 242.089844 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: 2376000 3908.3416 20517.7715 14383.7444 241.6856 -203672.7871 2420.3267 0.0000 0.0000 52151.5455 -110049.3718 299.7156 -162200.9173 -109677.7259 298.2967 -338.3142 -306.2340 760990.9319 4.8395 4.9059 PRESSURE: 2376200 66.7291 107.772 121.48 107.772 -395.258 -79.9101 121.48 -79.9101 -80.3186 GPRESSURE: 2376200 72.6051 86.2849 150.725 128.655 -328.918 11.7712 118.989 -73.0887 -66.7596 PRESSAVG: 2376200 2.22616 36.7097 -12.2661 36.7097 -18.7065 -14.9896 -12.2661 -14.9896 7.43214 GPRESSAVG: 2376200 1.78509 36.8535 -12.992 35.0517 -18.0938 -16.0843 -12.1982 -14.9958 7.41703 TIMING: 2376200 CPU: 7583.99, 0.00315071/step Wall: 7583.99, 0.00315071/step, 2.29634 hours remaining, 242.089844 MB of memory in use. ENERGY: 2376200 3997.9241 20559.7899 14400.4425 233.5700 -203531.2112 2420.1982 0.0000 0.0000 51781.7115 -110137.5750 297.5902 -161919.2866 -109779.9209 297.9480 -136.2825 -107.6908 760596.9921 -3.0161 -2.9639 LDB: ============= START OF LOAD BALANCING ============== 7596.44 LDB: ============== END OF LOAD BALANCING =============== 7596.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.45 LDB: ============= START OF LOAD BALANCING ============== 7596.76 LDB: Largest compute 7031 load 0.034358 is 17.6% of average load 0.195290 LDB: Average compute 0.004393 is 2.2% of average load 0.195290 LDB: TIME 7596.76 LOAD: AVG 0.19529 MAX 0.211933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.223 MB LDB: TIME 7596.77 LOAD: AVG 0.19529 MAX 0.211933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: TIME 7596.77 LOAD: AVG 0.19529 MAX 0.211933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: ============== END OF LOAD BALANCING =============== 7596.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.77 PRESSURE: 2376400 -100.193 111.647 103.997 111.647 -197.006 -108.752 103.997 -108.752 -64.752 GPRESSURE: 2376400 -161.915 40.852 159.115 98.5521 -107.326 -122.875 60.018 -104.214 -6.50882 PRESSAVG: 2376400 30.5628 -11.3699 8.27557 -11.3699 -31.8879 30.6871 8.27553 30.687 -8.27799 GPRESSAVG: 2376400 31.1709 -10.6074 9.37852 -9.71412 -31.9781 31.8215 8.2491 28.0707 -8.71842 TIMING: 2376400 CPU: 7584.64, 0.00321743/step Wall: 7584.64, 0.00321743/step, 2.34479 hours remaining, 240.550781 MB of memory in use. ENERGY: 2376400 3998.4177 20451.6614 14494.0873 250.8586 -203155.5200 2277.9817 0.0000 0.0000 51755.3361 -109927.1771 297.4386 -161682.5132 -109565.7070 298.0380 -120.6505 -91.9169 762107.3403 -3.2010 -3.1752 PRESSURE: 2376600 -505.864 90.6048 11.4194 90.6054 -137.543 169.077 11.4193 169.077 234.874 GPRESSURE: 2376600 -413.389 181.714 -60.2682 106.979 -67.1432 225.717 -4.63001 -4.96855 181.554 PRESSAVG: 2376600 -15.9634 25.4148 -23.896 25.4147 -21.8729 3.82992 -23.896 3.82998 2.06013 GPRESSAVG: 2376600 -15.6936 23.9613 -24.8468 25.5116 -22.0241 2.87307 -24.5787 6.74025 2.20726 TIMING: 2376600 CPU: 7585.27, 0.00315261/step Wall: 7585.27, 0.00315261/step, 2.29738 hours remaining, 240.753906 MB of memory in use. ENERGY: 2376600 3910.9397 20463.7233 14425.3243 247.6468 -203451.2634 2465.8177 0.0000 0.0000 52128.5119 -109809.2996 299.5833 -161937.8115 -109432.4035 298.1625 -136.1776 -99.6593 761926.8704 -11.9254 -11.8368 PRESSURE: 2376800 319.055 86.2915 93.6111 86.2911 -31.4622 6.52078 93.6117 6.52099 -249.623 GPRESSURE: 2376800 266.878 32.4194 76.5318 -63.9858 89.4432 -1.78207 194.106 132.73 -234.363 PRESSAVG: 2376800 19.3253 -33.2312 7.61553 -33.2311 -28.1086 68.0059 7.61554 68.0058 -8.98364 GPRESSAVG: 2376800 18.1476 -30.4964 8.93036 -34.9845 -28.4362 69.6116 8.10399 67.446 -8.09103 TIMING: 2376800 CPU: 7585.9, 0.00314738/step Wall: 7585.9, 0.00314738/step, 2.29339 hours remaining, 240.753906 MB of memory in use. ENERGY: 2376800 4010.0242 20500.3679 14388.1792 250.2576 -203340.8169 2582.7132 0.0000 0.0000 51664.7519 -109944.5228 296.9180 -161609.2747 -109575.3227 297.8934 12.6565 40.6526 762693.6566 -5.9223 -6.1265 PRESSURE: 2377000 291.15 -175.724 340.323 -175.723 -180.88 -65.493 340.322 -65.4927 13.7437 GPRESSURE: 2377000 238.629 -75.7695 357.559 -194.136 -72.2389 -58.2659 247.05 -201.422 28.1771 PRESSAVG: 2377000 43.1422 -10.9103 22.1935 -10.9103 -52.0771 -39.0784 22.1935 -39.0784 -8.65747 GPRESSAVG: 2377000 44.2289 -12.5485 20.6736 -10.8034 -53.1931 -40.3456 21.6749 -39.4302 -8.89015 TIMING: 2377000 CPU: 7586.53, 0.00315479/step Wall: 7586.53, 0.00315479/step, 2.29862 hours remaining, 240.753906 MB of memory in use. ENERGY: 2377000 3985.9338 20502.0497 14454.7949 232.5348 -203491.1985 2458.3878 0.0000 0.0000 51692.6103 -110164.8871 297.0781 -161857.4975 -109807.7122 297.5855 41.3378 64.8558 759746.0321 -5.8641 -5.9515 PRESSURE: 2377200 -356.913 46.724 -80.5022 46.7231 -87.4101 -16.9353 -80.5027 -16.935 -271.471 GPRESSURE: 2377200 -256.039 -96.7379 -83.8997 11.1493 -144.885 -47.0537 -72.3333 -50.948 -242.868 PRESSAVG: 2377200 57.7702 -10.2154 19.2342 -10.2154 -41.0907 -0.511084 19.2343 -0.51114 1.04001 GPRESSAVG: 2377200 57.9074 -12.7109 20.4348 -6.95713 -40.5959 -0.231188 19.9776 -0.612722 0.461129 TIMING: 2377200 CPU: 7587.16, 0.0031522/step Wall: 7587.16, 0.0031522/step, 2.29655 hours remaining, 240.753906 MB of memory in use. ENERGY: 2377200 3960.6180 20582.1250 14478.6310 240.2482 -203618.4939 2480.7738 0.0000 0.0000 51921.9665 -109954.1315 298.3963 -161876.0980 -109594.2358 297.8164 -238.5980 -214.5975 760635.8008 5.9065 5.9242 PRESSURE: 2377400 221.244 -151.887 -293.391 -151.889 -22.0807 -45.9938 -293.391 -45.9944 110.588 GPRESSURE: 2377400 293.731 -123.061 -337.865 -112.6 -1.2155 -122.818 -319.071 -65.6456 73.7209 PRESSAVG: 2377400 44.9533 -27.3237 5.94309 -27.3236 5.94147 -0.318733 5.94298 -0.318778 10.3149 GPRESSAVG: 2377400 44.3243 -24.916 4.93288 -29.5828 5.46108 -1.32697 7.52877 0.505476 11.8748 TIMING: 2377400 CPU: 7587.79, 0.00317288/step Wall: 7587.79, 0.00317288/step, 2.31145 hours remaining, 240.753906 MB of memory in use. ENERGY: 2377400 3883.2958 20620.4250 14463.7885 249.7943 -203589.7446 2612.6078 0.0000 0.0000 51984.9791 -109774.8541 298.7584 -161759.8332 -109395.1354 298.4685 103.2507 122.0787 760572.9811 20.4032 20.5534 PRESSURE: 2377600 -150.763 -84.314 -13.0479 -84.3142 -131.238 -125.418 -13.0477 -125.417 -186.041 GPRESSURE: 2377600 -92.154 -40.3134 -69.605 92.0803 -39.4847 -132.326 -7.53207 -84.4721 -253.674 PRESSAVG: 2377600 5.00644 -70.9806 -4.00972 -70.9805 -50.4288 24.9255 -4.00971 24.9255 -7.27925 GPRESSAVG: 2377600 6.2279 -70.4833 -2.28603 -70.3433 -50.2748 26.7775 -6.98284 25.6507 -8.5538 TIMING: 2377600 CPU: 7588.43, 0.00316518/step Wall: 7588.43, 0.00316518/step, 2.30566 hours remaining, 240.753906 MB of memory in use. ENERGY: 2377600 3926.8871 20580.2666 14451.7555 259.6784 -202916.8103 2117.8484 0.0000 0.0000 51962.2243 -109618.1500 298.6276 -161580.3742 -109250.0612 298.8161 -156.0140 -128.4375 761298.7684 -17.5672 -17.5336 PRESSURE: 2377800 153.963 -26.9347 -144.113 -26.9339 105.816 -160.103 -144.113 -160.103 154.262 GPRESSURE: 2377800 157.012 6.30761 -148.332 21.6289 61.0628 -191.373 -147.254 -108.258 286.713 PRESSAVG: 2377800 29.9848 -37.9695 21.9891 -37.9694 13.9455 34.8388 21.9892 34.8387 8.12423 GPRESSAVG: 2377800 28.1166 -38.5116 19.2706 -36.6187 14.6109 33.7219 24.1709 33.5327 8.88728 TIMING: 2377800 CPU: 7589.05, 0.00314289/step Wall: 7589.05, 0.00314289/step, 2.28925 hours remaining, 240.753906 MB of memory in use. ENERGY: 2377800 3920.6878 20565.6617 14398.9920 247.7654 -203822.9843 2792.2103 0.0000 0.0000 52205.3565 -109692.3106 300.0249 -161897.6671 -109324.2118 298.9383 138.0140 168.2627 758493.4897 17.3515 17.2049 PRESSURE: 2378000 62.5532 182.994 -254.081 182.993 201.789 9.5723 -254.081 9.57207 318.783 GPRESSURE: 2378000 153.29 44.4768 -152.415 174.095 250.388 5.86303 -205.567 22.8274 302.882 PRESSAVG: 2378000 -41.3549 -30.2225 9.31396 -30.2225 34.7764 9.87481 9.31397 9.87481 21.7415 GPRESSAVG: 2378000 -38.8533 -32.9301 11.6877 -30.914 33.8406 10.5262 9.47376 11.5135 20.7513 TIMING: 2378000 CPU: 7589.68, 0.00313856/step Wall: 7589.68, 0.00313856/step, 2.28592 hours remaining, 240.753906 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: 2378000 3966.5105 20694.4615 14426.0724 238.4104 -203336.8034 2557.2548 0.0000 0.0000 51885.5229 -109568.5709 298.1868 -161454.0938 -109208.0800 299.4957 194.3749 235.5202 758958.8335 5.0543 5.2462 PRESSURE: 2378200 -123.756 -7.80661 -37.2451 -7.80635 -54.1074 -130.537 -37.2449 -130.537 -73.9207 GPRESSURE: 2378200 -136.314 62.6488 -23.7957 -74.3461 -14.2271 -133.414 -92.5322 -16.6943 -17.3696 PRESSAVG: 2378200 -24.8705 -15.5193 29.3859 -15.5193 13.5031 -1.05136 29.3859 -1.05132 -12.419 GPRESSAVG: 2378200 -26.5446 -15.6351 29.0357 -15.3445 13.1905 -1.8444 27.3302 -0.0646492 -10.4848 TIMING: 2378200 CPU: 7590.32, 0.00318238/step Wall: 7590.32, 0.00318238/step, 2.31766 hours remaining, 240.753906 MB of memory in use. ENERGY: 2378200 4025.9390 20582.2846 14445.4007 257.3741 -203362.1419 2442.5095 0.0000 0.0000 52085.4457 -109523.1883 299.3358 -161608.6339 -109160.8978 299.3682 -83.9280 -55.9701 759313.9132 -7.9288 -7.9463 PRESSURE: 2378400 -51.568 93.5633 -107.034 93.5637 -56.4573 95.1615 -107.033 95.1618 151.836 GPRESSURE: 2378400 -1.4069 11.9467 -81.9369 132.122 -41.5269 72.6448 -160.286 -104.366 154.468 PRESSAVG: 2378400 -78.6841 -8.61214 -20.4474 -8.61218 41.7353 -3.46759 -20.4474 -3.46757 -6.10287 GPRESSAVG: 2378400 -78.296 -7.77831 -20.5748 -10.0513 42.17 -2.61834 -15.8482 -4.9293 -7.32479 TIMING: 2378400 CPU: 7590.95, 0.00314265/step Wall: 7590.95, 0.00314265/step, 2.28854 hours remaining, 240.753906 MB of memory in use. ENERGY: 2378400 4004.6228 20728.1085 14449.4062 233.0305 -203432.2032 2430.2561 0.0000 0.0000 52013.0466 -109573.7325 298.9197 -161586.7791 -109209.1576 299.7642 14.6034 37.1781 761848.7834 -14.3506 -14.4836 PRESSURE: 2378600 100.112 116.874 92.5293 116.874 55.4715 55.0603 92.5296 55.06 -238.67 GPRESSURE: 2378600 102.984 16.8002 124.915 195.073 105.794 124.821 -75.5295 -53.0403 -195.53 PRESSAVG: 2378600 -56.4346 -27.4134 -7.51294 -27.4134 68.2025 17.921 -7.51293 17.9211 -35.7785 GPRESSAVG: 2378600 -56.4622 -27.2762 -5.93087 -26.0969 67.8047 18.0878 -11.7021 17.2339 -34.9126 TIMING: 2378600 CPU: 7591.58, 0.00314739/step Wall: 7591.58, 0.00314739/step, 2.29183 hours remaining, 240.753906 MB of memory in use. ENERGY: 2378600 4025.3104 20501.0404 14412.2771 244.7644 -203673.1692 2758.7001 0.0000 0.0000 52150.6548 -109580.4221 299.7105 -161731.0769 -109209.6835 298.9721 -27.6956 4.4161 760301.2788 -8.0036 -7.8567 PRESSURE: 2378800 -40.3261 -30.461 -191.166 -30.4618 -153.459 -176.988 -191.165 -176.989 109.254 GPRESSURE: 2378800 56.9208 5.41535 -165.334 -81.7281 -147.726 -205.544 -154.368 -95.9429 103.763 PRESSAVG: 2378800 -20.3866 -52.0774 10.9276 -52.0773 28.7285 20.7819 10.9276 20.7819 8.52285 GPRESSAVG: 2378800 -19.9011 -52.0708 10.5573 -52.9369 29.0276 20.7552 11.1447 21.4838 7.38153 TIMING: 2378800 CPU: 7592.2, 0.00313938/step Wall: 7592.2, 0.00313938/step, 2.28582 hours remaining, 240.753906 MB of memory in use. ENERGY: 2378800 4023.4540 20589.5042 14386.3330 239.6014 -203220.8069 2445.8255 0.0000 0.0000 52014.1852 -109521.9035 298.9262 -161536.0887 -109161.6286 299.2715 -28.1770 4.3193 762020.5204 5.6216 5.5027 PRESSURE: 2379000 -337.773 -101.619 -180.646 -101.619 -124.895 -126.203 -180.646 -126.202 93.9721 GPRESSURE: 2379000 -328.561 -12.2274 -94.4854 123.951 -48.391 -168.839 -157.043 -92.7685 92.3441 PRESSAVG: 2379000 11.0949 -13.8887 -53.7932 -13.8887 17.103 -24.5985 -53.7932 -24.5986 11.3668 GPRESSAVG: 2379000 11.5034 -11.0833 -53.7131 -14.0555 17.8493 -25.3237 -52.4756 -24.3575 10.5968 TIMING: 2379000 CPU: 7592.83, 0.00314279/step Wall: 7592.83, 0.00314279/step, 2.28813 hours remaining, 240.753906 MB of memory in use. ENERGY: 2379000 4028.0140 20464.2636 14406.9555 241.1315 -203552.9365 2748.6191 0.0000 0.0000 52363.6348 -109300.3180 300.9345 -161663.9528 -108935.6951 300.1754 -122.8984 -94.8693 761948.8564 13.1883 13.3165 PRESSURE: 2379200 -322.193 -42.5842 273.33 -42.5841 -214.556 232.953 273.33 232.953 -105.639 GPRESSURE: 2379200 -320.578 15.5872 216.694 -75.8154 -135.995 200.07 200.355 156.454 -90.2439 PRESSAVG: 2379200 -23.1466 -10.4503 -2.05739 -10.4502 16.1724 85.906 -2.0574 85.9061 -25.4057 GPRESSAVG: 2379200 -24.0854 -12.7825 -3.30976 -8.25941 15.2644 86.1164 -2.63339 86.6877 -23.575 TIMING: 2379200 CPU: 7593.46, 0.00314639/step Wall: 7593.46, 0.00314639/step, 2.29057 hours remaining, 240.753906 MB of memory in use. ENERGY: 2379200 3952.8917 20469.3682 14468.2584 251.5199 -203308.9799 2384.0542 0.0000 0.0000 52436.6432 -109346.2442 301.3541 -161782.8874 -108976.1671 300.0527 -214.1294 -182.2724 761966.9766 -10.7933 -10.7987 PRESSURE: 2379400 -88.1217 -0.168869 23.8778 -0.169241 -177.748 -66.3856 23.8777 -66.3848 26.1149 GPRESSURE: 2379400 -6.00539 -16.6618 18.7177 -109.455 -133.076 -52.6204 137.275 8.29252 -14.6472 PRESSAVG: 2379400 -50.9482 -41.1674 -27.1738 -41.1675 39.736 54.4207 -27.1737 54.4207 19.7756 GPRESSAVG: 2379400 -50.2916 -41.0077 -26.0094 -44.1679 40.4973 55.9766 -28.18 55.0267 18.7009 TIMING: 2379400 CPU: 7594.1, 0.00317248/step Wall: 7594.1, 0.00317248/step, 2.30939 hours remaining, 240.753906 MB of memory in use. ENERGY: 2379400 4000.5042 20544.7631 14402.1301 227.9565 -202974.9892 2349.2801 0.0000 0.0000 52110.3546 -109340.0006 299.4789 -161450.3552 -108968.3218 299.6348 -79.9181 -51.2429 762589.3909 2.8545 2.9688 PRESSURE: 2379600 -127.014 5.38817 -42.7464 5.38831 -24.2968 84.0495 -42.7469 84.0491 -182.567 GPRESSURE: 2379600 -101.472 25.9637 -95.2564 36.1335 -5.73 163.822 -60.554 -5.75209 -159.857 PRESSAVG: 2379600 -19.7891 -40.232 52.5529 -40.232 9.57094 43.2061 52.5529 43.206 -10.6459 GPRESSAVG: 2379600 -18.8386 -39.3845 52.0899 -38.0564 8.91779 43.2914 52.6435 40.0278 -11.347 TIMING: 2379600 CPU: 7594.73, 0.00317015/step Wall: 7594.73, 0.00317015/step, 2.30752 hours remaining, 240.753906 MB of memory in use. ENERGY: 2379600 4030.5621 20736.6143 14402.5912 233.7951 -203313.1756 2346.1110 0.0000 0.0000 52131.9769 -109431.5249 299.6032 -161563.5018 -109080.8015 299.3542 -111.2927 -89.0199 760957.5760 -6.9547 -7.0893 PRESSURE: 2379800 -141.41 -30.5719 55.2572 -30.5716 -45.0173 -233.88 55.2573 -233.881 299.297 GPRESSURE: 2379800 -52.8921 -135.716 38.9417 -4.51365 -24.8171 -261.683 42.4709 -108.995 259.278 PRESSAVG: 2379800 0.789635 2.05005 -9.86315 2.04997 -9.88642 65.1644 -9.86316 65.1643 33.1973 GPRESSAVG: 2379800 -0.195687 3.07496 -11.4294 -0.841229 -9.77103 63.5937 -8.42325 67.5319 33.6465 TIMING: 2379800 CPU: 7595.36, 0.00315627/step Wall: 7595.36, 0.00315627/step, 2.29723 hours remaining, 240.753906 MB of memory in use. ENERGY: 2379800 3994.6884 20524.0219 14400.9825 253.8711 -203592.0013 2511.3653 0.0000 0.0000 52225.6310 -109681.4411 300.1414 -161907.0721 -109313.1649 299.7579 37.6230 60.5230 760910.9451 8.0335 7.8933 PRESSURE: 2380000 -309.301 51.6004 -101.095 51.6003 -625.462 75.1281 -101.095 75.1293 80.3863 GPRESSURE: 2380000 -254.397 90.1285 -173.179 -36.1296 -542.001 170.879 -99.5974 119.391 41.3887 PRESSAVG: 2380000 -40.2291 -35.2087 25.8584 -35.2087 51.6226 12.2699 25.8585 12.27 7.09248 GPRESSAVG: 2380000 -40.4277 -36.1421 27.8142 -35.1524 51.3996 13.8886 24.9342 12.4833 7.23104 TIMING: 2380000 CPU: 7595.99, 0.00315508/step Wall: 7595.99, 0.00315508/step, 2.2962 hours remaining, 240.753906 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: 2380000 4039.4723 20570.3807 14334.6947 237.8506 -203164.7887 2302.8793 0.0000 0.0000 51969.3207 -109710.1905 298.6684 -161679.5112 -109349.4752 299.0599 -284.7923 -251.6698 761238.0024 6.1620 6.0677 PRESSURE: 2380200 142.874 -40.6375 -163.581 -40.6371 75.586 0.602875 -163.58 0.60279 70.8803 GPRESSURE: 2380200 146.465 -130.585 -166.021 -27.3332 155.043 1.32741 -110.025 -42.4811 84.4853 PRESSAVG: 2380200 63.6416 9.47091 -30.9661 9.47087 -72.9609 -13.2279 -30.966 -13.2279 8.73539 GPRESSAVG: 2380200 62.4948 9.95708 -31.5182 7.94486 -72.3236 -13.4048 -30.6037 -14.2923 9.64513 TIMING: 2380200 CPU: 7596.63, 0.00316506/step Wall: 7596.63, 0.00316506/step, 2.30329 hours remaining, 240.753906 MB of memory in use. ENERGY: 2380200 3997.9934 20350.5029 14422.9666 249.7393 -203640.2871 2716.8341 0.0000 0.0000 51967.3371 -109934.9137 298.6570 -161902.2508 -109565.1043 298.2297 96.4468 128.6645 760597.2820 -0.1946 -0.0612 LDB: ============= START OF LOAD BALANCING ============== 7609.08 LDB: ============== END OF LOAD BALANCING =============== 7609.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.08 LDB: ============= START OF LOAD BALANCING ============== 7609.4 LDB: Largest compute 7057 load 0.035287 is 18.1% of average load 0.195313 LDB: Average compute 0.004403 is 2.3% of average load 0.195313 LDB: TIME 7609.4 LOAD: AVG 0.195313 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 7609.4 LOAD: AVG 0.195313 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 7609.4 LOAD: AVG 0.195313 MAX 0.212879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 7609.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.41 PRESSURE: 2380400 -151.29 -77.4524 -147.009 -77.4532 53.0073 -81.069 -147.009 -81.0684 10.9654 GPRESSURE: 2380400 -102.372 -60.6151 -91.4665 -20.7741 125.345 -6.96826 -157.316 -36.5661 -34.1253 PRESSAVG: 2380400 -22.2013 -63.2106 17.4961 -63.2106 61.6463 26.0835 17.496 26.0835 10.9046 GPRESSAVG: 2380400 -21.3481 -63.2566 16.8759 -60.1142 61.9075 25.3256 16.7782 26.8569 10.1124 TIMING: 2380400 CPU: 7597.27, 0.00324615/step Wall: 7597.27, 0.00324615/step, 2.36212 hours remaining, 240.039062 MB of memory in use. ENERGY: 2380400 4023.7090 20539.0194 14461.5080 240.7340 -203078.5425 2418.8317 0.0000 0.0000 51711.2878 -109683.4525 297.1855 -161394.7403 -109321.5881 298.6604 -29.1057 -3.7173 761965.8937 16.7832 16.8906 PRESSURE: 2380600 124.583 135.029 -36.9577 135.028 -39.8551 23.559 -36.9584 23.5588 -22.6421 GPRESSURE: 2380600 192.367 125.891 -52.6767 23.5497 20.2249 89.542 -12.0351 22.6451 -42.8957 PRESSAVG: 2380600 44.4517 -10.4092 -29.5231 -10.4092 -26.8285 19.8887 -29.5231 19.8887 -24.1697 GPRESSAVG: 2380600 43.1968 -6.44464 -28.699 -12.0536 -25.4931 20.0837 -31.1161 21.7506 -24.0872 TIMING: 2380600 CPU: 7597.91, 0.00319949/step Wall: 7597.91, 0.00319949/step, 2.32798 hours remaining, 240.039062 MB of memory in use. ENERGY: 2380600 3858.7681 20694.0058 14443.4126 232.1794 -203505.2045 2700.1062 0.0000 0.0000 51748.3556 -109828.3767 297.3985 -161576.7324 -109466.3696 298.5733 20.6954 56.5656 761240.4384 -2.1822 -2.1278 PRESSURE: 2380800 -46.5835 74.3667 148.286 74.3678 -3.47864 38.1762 148.286 38.1766 -588.894 GPRESSURE: 2380800 -25.4968 -35.9237 181.45 -64.1462 93.0064 79.0479 179.702 -0.361211 -624.879 PRESSAVG: 2380800 -38.485 -8.91688 45.8221 -8.91683 31.381 41.25 45.8221 41.2499 7.28579 GPRESSAVG: 2380800 -37.108 -11.932 43.9045 -9.40954 30.7723 42.361 49.0507 38.5362 6.42107 TIMING: 2380800 CPU: 7598.55, 0.00315658/step Wall: 7598.55, 0.00315658/step, 2.29659 hours remaining, 240.039062 MB of memory in use. ENERGY: 2380800 3962.2458 20461.7112 14395.6015 248.1441 -203468.4899 2427.2727 0.0000 0.0000 52164.3623 -109809.1521 299.7893 -161973.5144 -109440.3066 297.6145 -212.9852 -185.7899 761413.6716 0.0606 0.0285 PRESSURE: 2381000 -125.604 -4.50402 -25.5724 -4.50334 51.2152 53.0107 -25.573 53.0114 -264.899 GPRESSURE: 2381000 -109.89 19.3235 -25.4098 15.4489 82.9121 7.33088 35.9261 101.402 -214.997 PRESSAVG: 2381000 31.5277 -60.0961 23.0523 -60.0961 -0.178086 5.01216 23.0522 5.01225 12.5368 GPRESSAVG: 2381000 31.8164 -58.329 23.775 -60.4387 -1.5887 5.29725 24.3501 6.89664 14.0603 TIMING: 2381000 CPU: 7599.18, 0.00315089/step Wall: 7599.18, 0.00315089/step, 2.29227 hours remaining, 240.039062 MB of memory in use. ENERGY: 2381000 3950.5354 20483.5497 14399.0035 250.0976 -203093.6446 2392.9622 0.0000 0.0000 51664.5862 -109952.9100 296.9171 -161617.4962 -109602.4820 298.3446 -113.0957 -80.6583 761935.4425 14.6288 14.7627 PRESSURE: 2381200 -92.5652 -99.9946 -125.799 -99.9952 278.06 -67.9913 -125.798 -67.991 -508.907 GPRESSURE: 2381200 8.14188 15.3505 -160.72 -143.152 282.571 8.50623 -37.5627 -31.8277 -543.958 PRESSAVG: 2381200 -46.3375 -96.1828 67.5633 -96.1828 41.6683 -31.5449 67.5633 -31.5449 9.89958 GPRESSAVG: 2381200 -46.8182 -98.7399 68.4963 -95.5659 42.3556 -31.2476 63.9215 -31.2001 9.53743 TIMING: 2381200 CPU: 7599.81, 0.00315483/step Wall: 7599.81, 0.00315483/step, 2.29496 hours remaining, 240.039062 MB of memory in use. ENERGY: 2381200 4026.6274 20272.1791 14365.2715 257.1757 -203454.6061 2630.2465 0.0000 0.0000 51863.6694 -110039.4364 298.0612 -161903.1059 -109681.1298 298.3490 -107.8042 -84.4151 760729.6142 1.7435 1.6916 PRESSURE: 2381400 -324.993 -110.288 -6.36033 -110.288 -353.658 31.9931 -6.36059 31.9932 -97.5072 GPRESSURE: 2381400 -248.574 -159.359 42.0916 -164.96 -297.733 -11.4081 -19.8852 108.232 -139.568 PRESSAVG: 2381400 8.96595 -72.492 34.0537 -72.492 -3.20025 33.3229 34.0537 33.3228 -2.87853 GPRESSAVG: 2381400 10.375 -72.483 33.1628 -73.6815 -3.84281 32.3085 33.7952 32.7659 -3.87152 TIMING: 2381400 CPU: 7600.44, 0.003151/step Wall: 7600.44, 0.003151/step, 2.292 hours remaining, 240.039062 MB of memory in use. ENERGY: 2381400 4039.8637 20586.5076 14432.5518 234.3455 -203630.2265 2537.5260 0.0000 0.0000 51787.3416 -110012.0904 297.6226 -161799.4320 -109657.8219 298.6406 -258.7195 -228.6251 762040.5913 0.9624 0.8869 PRESSURE: 2381600 -81.302 103.098 61.6679 103.098 130.354 92.9633 61.6677 92.9627 -216.281 GPRESSURE: 2381600 -0.500858 190.83 -3.76888 114.467 181.579 92.3481 -2.38188 118.703 -270.038 PRESSAVG: 2381600 60.9716 -79.0181 27.6454 -79.0181 -43.9078 -33.2801 27.6453 -33.2801 -6.21242 GPRESSAVG: 2381600 59.4491 -77.9789 28.9864 -77.8716 -42.3392 -33.6204 28.4283 -32.7631 -5.95799 TIMING: 2381600 CPU: 7601.07, 0.00314438/step Wall: 7601.07, 0.00314438/step, 2.28701 hours remaining, 240.039062 MB of memory in use. ENERGY: 2381600 3944.4720 20463.3796 14434.5066 253.4785 -203573.5784 2637.4765 0.0000 0.0000 51929.1517 -109911.1133 298.4375 -161840.2650 -109558.0700 298.1724 -55.7431 -29.6531 760484.5090 3.6172 3.7173 PRESSURE: 2381800 90.2822 -72.2879 87.5994 -72.2878 -33.7747 131.854 87.5989 131.855 -141.793 GPRESSURE: 2381800 130.366 20.6244 193.562 81.4594 5.6628 172.604 -107.464 227.824 -139.914 PRESSAVG: 2381800 -24.9694 -84.6657 -3.70587 -84.6657 0.62407 -5.54087 -3.7059 -5.54088 -1.3874 GPRESSAVG: 2381800 -24.458 -86.6955 -3.00854 -81.9112 -0.34114 -6.58105 -3.20075 -6.24647 -1.87502 TIMING: 2381800 CPU: 7601.7, 0.0031746/step Wall: 7601.7, 0.0031746/step, 2.30881 hours remaining, 240.039062 MB of memory in use. ENERGY: 2381800 4004.4913 20423.6595 14447.3004 250.1103 -203428.3863 2780.7008 0.0000 0.0000 51860.9820 -109661.1420 298.0458 -161522.1240 -109302.4953 298.4579 -28.4284 -1.2949 761318.7702 -8.5776 -8.8914 PRESSURE: 2382000 138.308 19.7753 -123.01 19.7755 -92.1733 149.578 -123.01 149.577 -228.849 GPRESSURE: 2382000 173.122 19.3714 -89.5651 22.7077 22.6543 186.858 -36.9288 109.337 -253.66 PRESSAVG: 2382000 -25.2888 -7.02466 26.4902 -7.02466 3.23951 23.471 26.4902 23.4711 2.38158 GPRESSAVG: 2382000 -26.1598 -5.45554 24.193 -9.76537 4.34982 25.086 25.9109 24.3267 2.61264 TIMING: 2382000 CPU: 7602.34, 0.00317763/step Wall: 7602.34, 0.00317763/step, 2.31084 hours remaining, 240.039062 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: 2382000 4045.3760 20415.3664 14434.6588 235.4522 -203152.4900 2559.3831 0.0000 0.0000 51949.6931 -109512.5605 298.5556 -161462.2536 -109154.1001 298.4467 -60.9047 -19.2947 761832.1273 -6.5559 -6.3991 PRESSURE: 2382200 53.4999 -74.7002 82.5299 -74.6991 73.5829 232.684 82.5297 232.684 -135.554 GPRESSURE: 2382200 -29.5065 -200.858 79.1309 -52.1991 149.184 325.81 32.8867 226.572 -63.9965 PRESSAVG: 2382200 -20.3549 -36.6365 22.1541 -36.6364 23.6043 51.3583 22.1541 51.3583 -1.44265 GPRESSAVG: 2382200 -20.6509 -37.1209 24.5389 -35.6551 22.1154 50.9013 20.3725 50.2979 0.533388 TIMING: 2382200 CPU: 7602.97, 0.00317459/step Wall: 7602.97, 0.00317459/step, 2.30846 hours remaining, 240.039062 MB of memory in use. ENERGY: 2382200 3994.0708 20568.7233 14442.7318 229.6444 -202916.3917 2402.3374 0.0000 0.0000 51782.7855 -109496.0985 297.5964 -161278.8840 -109139.8265 299.0039 -2.8239 18.5604 763931.1086 0.6022 0.6660 PRESSURE: 2382400 -335.956 174.382 37.7978 174.382 -369.305 -64.2495 37.797 -64.2507 86.5139 GPRESSURE: 2382400 -259.386 130.298 16.4227 128.846 -378.344 -25.0313 6.62664 87.8507 86.6683 PRESSAVG: 2382400 39.0751 15.1409 23.3212 15.141 -72.8536 -36.696 23.3212 -36.6961 -2.88467 GPRESSAVG: 2382400 40.067 16.758 21.7334 12.1043 -72.57 -36.1079 25.7153 -35.4268 -4.27744 TIMING: 2382400 CPU: 7603.61, 0.00318658/step Wall: 7603.61, 0.00318658/step, 2.317 hours remaining, 240.039062 MB of memory in use. ENERGY: 2382400 4065.9123 20518.4295 14428.8910 256.6344 -203651.0026 2928.2644 0.0000 0.0000 51795.5460 -109657.3250 297.6697 -161452.8710 -109313.6008 299.4068 -206.2491 -183.6872 763802.8480 -12.2210 -12.2602 PRESSURE: 2382600 -113.552 -65.6492 -156.103 -65.65 -168.364 -19.5983 -156.103 -19.5988 -17.8854 GPRESSURE: 2382600 -65.9893 39.8861 -123.794 34.2666 -179.608 -95.0558 -156.973 -163.138 16.3019 PRESSAVG: 2382600 7.80656 -50.6242 25.9435 -50.6242 -49.7029 -34.475 25.9435 -34.475 1.80276 GPRESSAVG: 2382600 7.02133 -50.0639 28.703 -48.6648 -49.1692 -36.9469 23.7531 -32.7752 2.29872 TIMING: 2382600 CPU: 7604.24, 0.00316689/step Wall: 7604.24, 0.00316689/step, 2.30251 hours remaining, 240.039062 MB of memory in use. ENERGY: 2382600 3979.6445 20349.9457 14338.1072 242.1875 -203059.3085 2545.6417 0.0000 0.0000 51825.7167 -109778.0652 297.8431 -161603.7820 -109419.1295 298.8873 -99.9339 -76.4319 763364.7307 -13.3645 -13.2830 PRESSURE: 2382800 270.258 -63.5309 104.288 -63.531 214.737 -163.893 104.288 -163.894 -339.598 GPRESSURE: 2382800 255.848 -121.909 137.881 -111.903 340.108 -192.521 71.2533 -182.001 -375.76 PRESSAVG: 2382800 23.7008 -25.4772 12.0738 -25.4772 -19.6037 -5.55634 12.0738 -5.55634 10.7332 GPRESSAVG: 2382800 24.8128 -28.265 10.2316 -22.0337 -20.6508 -4.95229 15.1875 -8.58974 10.7733 TIMING: 2382800 CPU: 7604.88, 0.00316869/step Wall: 7604.88, 0.00316869/step, 2.30364 hours remaining, 240.039062 MB of memory in use. ENERGY: 2382800 4087.2602 20436.6149 14420.2104 251.5779 -203496.0051 2814.3742 0.0000 0.0000 51933.4116 -109552.5560 298.4620 -161485.9676 -109203.4003 298.9826 48.4658 73.3988 761399.5220 4.9434 4.9784 PRESSURE: 2383000 271.425 36.7756 38.7247 36.7754 -262.007 -177.801 38.7252 -177.8 -41.1296 GPRESSURE: 2383000 292.324 -56.4263 -42.2439 12.7942 -201.959 -153.706 16.4239 -56.177 -54.817 PRESSAVG: 2383000 56.0643 5.27966 -40.7569 5.27967 -29.8746 -17.5116 -40.7569 -17.5117 4.9685 GPRESSAVG: 2383000 55.797 7.18748 -41.5566 0.741078 -28.2378 -16.6649 -40.1058 -17.6496 4.29838 TIMING: 2383000 CPU: 7605.51, 0.00315514/step Wall: 7605.51, 0.00315515/step, 2.29362 hours remaining, 240.039062 MB of memory in use. ENERGY: 2383000 4023.9698 20505.3728 14443.3916 248.7248 -203246.0767 2410.8623 0.0000 0.0000 51832.4847 -109781.2708 297.8820 -161613.7555 -109430.0906 298.6685 -10.5705 11.8494 761368.9000 10.3861 10.6192 PRESSURE: 2383200 15.9052 -96.6477 94.9271 -96.6477 -49.862 154.13 94.9259 154.13 -113.09 GPRESSURE: 2383200 -36.2021 -0.462241 15.9568 -200.183 83.3353 102.388 185.627 80.9336 -117.012 PRESSAVG: 2383200 -11.1542 -67.8042 -49.4967 -67.8042 -44.9366 -28.0495 -49.4967 -28.0495 18.6217 GPRESSAVG: 2383200 -12.1681 -65.8763 -48.3456 -67.533 -44.5976 -27.1965 -52.1986 -28.1469 19.3574 TIMING: 2383200 CPU: 7606.14, 0.00316258/step Wall: 7606.14, 0.00316258/step, 2.29884 hours remaining, 240.039062 MB of memory in use. ENERGY: 2383200 3948.7870 20441.3826 14480.1161 244.1969 -203259.2451 2579.7932 0.0000 0.0000 51880.1970 -109684.7723 298.1562 -161564.9693 -109327.4739 298.8762 -49.0155 -23.2931 761974.3961 -12.4897 -12.4694 PRESSURE: 2383400 -102.678 55.6891 -57.1344 55.6888 -401.746 -245.34 -57.135 -245.341 -397.261 GPRESSURE: 2383400 -18.7545 32.5424 38.0025 140.888 -353.856 -229.4 21.1738 -196.791 -432.672 PRESSAVG: 2383400 32.421 -14.7023 28.2245 -14.7023 -31.5086 11.5706 28.2245 11.5706 11.7676 GPRESSAVG: 2383400 33.9335 -16.9584 28.7744 -12.6804 -32.8566 12.1162 28.9185 11.6922 12.0783 TIMING: 2383400 CPU: 7606.77, 0.0031481/step Wall: 7606.77, 0.00314811/step, 2.28815 hours remaining, 240.039062 MB of memory in use. ENERGY: 2383400 4024.6272 20352.8909 14331.5229 249.5738 -203479.1250 2402.2526 0.0000 0.0000 52283.4565 -109834.8011 300.4737 -162118.2576 -109464.6827 298.2166 -300.5618 -268.4274 761391.4305 4.2267 4.3850 PRESSURE: 2383600 -338.165 130.005 -186.384 130.005 -93.9908 -0.961341 -186.383 -0.962528 -360.567 GPRESSURE: 2383600 -255.378 53.3495 -178.342 117.874 -163.112 -32.5372 -89.9516 -17.9722 -280.8 PRESSAVG: 2383600 7.76869 -66.5415 -30.6426 -66.5415 -29.7992 -3.42924 -30.6426 -3.42926 11.546 GPRESSAVG: 2383600 7.70012 -64.3916 -31.4877 -67.7002 -29.1461 -4.35992 -28.7435 -1.99186 10.7368 TIMING: 2383600 CPU: 7607.4, 0.00315712/step Wall: 7607.4, 0.00315712/step, 2.29453 hours remaining, 240.039062 MB of memory in use. ENERGY: 2383600 4033.7859 20351.6202 14443.1243 245.8973 -203370.7826 2545.0099 0.0000 0.0000 51861.0237 -109890.3214 298.0460 -161751.3450 -109529.4855 298.3619 -264.2410 -233.0968 761571.0456 -3.4948 -3.5697 PRESSURE: 2383800 209.181 -143.993 -63.4653 -143.994 23.8418 -45.048 -63.4647 -45.0481 409.548 GPRESSURE: 2383800 123.788 -146.708 -1.7364 -242.073 118.871 -1.96321 -139.532 -29.3367 468.167 PRESSAVG: 2383800 -42.9035 -47.7579 54.6762 -47.7579 7.49558 -48.742 54.6762 -48.7421 -0.0992937 GPRESSAVG: 2383800 -42.7555 -49.8659 54.0414 -46.6511 7.32255 -49.0354 53.2274 -48.3077 0.133769 TIMING: 2383800 CPU: 7608.03, 0.00314951/step Wall: 7608.03, 0.00314951/step, 2.28882 hours remaining, 240.039062 MB of memory in use. ENERGY: 2383800 3880.0362 20356.0537 14435.0329 241.3326 -203463.3605 2598.4763 0.0000 0.0000 52001.0947 -109951.3341 298.8510 -161952.4289 -109589.6667 297.8999 214.1902 236.9422 761370.8323 -11.8357 -11.7664 PRESSURE: 2384000 106.265 6.7524 -50.6254 6.75169 73.9145 -23.789 -50.6251 -23.7889 92.299 GPRESSURE: 2384000 160.328 -27.7683 -145.145 30.3124 127.334 -72.6917 66.293 -48.1354 51.343 PRESSAVG: 2384000 -20.0456 -13.0598 17.1574 -13.0598 2.87425 -22.7283 17.1575 -22.7282 10.9846 GPRESSAVG: 2384000 -20.2816 -15.1938 17.7913 -11.1458 4.74933 -22.3496 16.8232 -24.7946 9.97108 TIMING: 2384000 CPU: 7608.66, 0.00315303/step Wall: 7608.66, 0.00315303/step, 2.2912 hours remaining, 240.039062 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: 2384000 3934.1025 20325.9684 14386.5395 250.7268 -203609.7561 2955.4881 0.0000 0.0000 51862.2550 -109894.6758 298.0531 -161756.9308 -109525.0114 297.9325 90.8262 113.0018 761999.8884 -2.0622 -1.8537 PRESSURE: 2384200 73.4198 177.326 134.305 177.325 -20.6917 -219.397 134.305 -219.397 69.065 GPRESSURE: 2384200 32.2012 207.059 73.6859 134.569 73.99 -2.27009 88.238 -257.547 111.891 PRESSAVG: 2384200 21.3409 33.0635 13.0978 33.0635 28.2053 22.4541 13.0978 22.4541 -31.8027 GPRESSAVG: 2384200 23.0303 35.7225 14.3527 30.7098 26.3882 23.083 14.1146 24.1441 -31.0692 TIMING: 2384200 CPU: 7609.3, 0.00317559/step Wall: 7609.3, 0.00317559/step, 2.30742 hours remaining, 240.039062 MB of memory in use. ENERGY: 2384200 3990.2898 20318.5887 14391.4924 234.6270 -203870.2423 3093.5926 0.0000 0.0000 51918.9111 -109922.7407 298.3787 -161841.6519 -109563.2658 298.0469 40.5977 72.6941 761211.9967 5.9145 6.1164 LDB: ============= START OF LOAD BALANCING ============== 7621.75 LDB: ============== END OF LOAD BALANCING =============== 7621.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.75 LDB: ============= START OF LOAD BALANCING ============== 7622.07 LDB: Largest compute 7057 load 0.034045 is 17.4% of average load 0.195268 LDB: Average compute 0.004386 is 2.2% of average load 0.195268 LDB: TIME 7622.07 LOAD: AVG 0.195268 MAX 0.213388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 7622.07 LOAD: AVG 0.195268 MAX 0.213388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 7622.07 LOAD: AVG 0.195268 MAX 0.213388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 7622.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7622.08 PRESSURE: 2384400 197.875 -127.948 -101.131 -127.948 128.506 -59.7639 -101.131 -59.7638 126.949 GPRESSURE: 2384400 323.164 -213.755 -120.587 -196.516 127.885 -71.6656 -53.2974 42.8865 114.005 PRESSAVG: 2384400 50.8567 6.22647 46.7135 6.22648 -6.39141 47.1898 46.7135 47.1898 15.0977 GPRESSAVG: 2384400 49.5028 5.8503 47.3168 6.00334 -5.8156 45.9761 44.715 46.3343 15.9971 TIMING: 2384400 CPU: 7609.95, 0.00324949/step Wall: 7609.95, 0.00324949/step, 2.36093 hours remaining, 241.582031 MB of memory in use. ENERGY: 2384400 3934.8688 20474.1693 14413.9441 250.1081 -203238.7483 2412.4865 0.0000 0.0000 51846.5936 -109906.5778 297.9631 -161753.1714 -109537.9453 298.2038 151.1098 188.3515 761330.0836 19.8543 19.8948 PRESSURE: 2384600 -0.268886 -46.9599 142.731 -46.9601 -87.6663 9.79087 142.73 9.78965 -43.7304 GPRESSURE: 2384600 65.0462 -7.74972 196.707 8.8978 24.7773 -98.6481 -0.500042 -118.851 -131.023 PRESSAVG: 2384600 45.8311 -28.6221 10.0758 -28.6221 -73.5187 -7.67452 10.0759 -7.6745 -9.65411 GPRESSAVG: 2384600 46.4994 -29.5905 7.17478 -26.0237 -73.5782 -7.315 12.5272 -9.14045 -9.99003 TIMING: 2384600 CPU: 7610.58, 0.00318967/step Wall: 7610.58, 0.00318967/step, 2.3173 hours remaining, 241.652344 MB of memory in use. ENERGY: 2384600 3937.1324 20626.2092 14329.4331 261.5630 -203932.4487 3056.6107 0.0000 0.0000 51728.6584 -109992.8418 297.2853 -161721.5003 -109631.8205 298.0168 -43.8885 -13.7331 762348.3749 -12.4472 -12.3563 PRESSURE: 2384800 173.371 -37.3517 43.5385 -37.3512 20.9336 5.33073 43.5385 5.33146 -47.3396 GPRESSURE: 2384800 143.191 -11.533 -53.5812 17.322 121.285 -48.0638 81.0455 116.612 -17.3086 PRESSAVG: 2384800 13.1871 -23.7193 39.6237 -23.7193 -63.0328 -52.8365 39.6238 -52.8365 2.63384 GPRESSAVG: 2384800 12.6376 -22.8335 41.3509 -24.1534 -61.9494 -52.5603 37.4413 -52.6617 2.42439 TIMING: 2384800 CPU: 7611.23, 0.00320609/step Wall: 7611.23, 0.00320609/step, 2.32905 hours remaining, 241.652344 MB of memory in use. ENERGY: 2384800 4007.4177 20362.7333 14365.3185 259.2155 -203679.0205 2652.7028 0.0000 0.0000 51884.7806 -110146.8522 298.1825 -162031.6328 -109787.2044 297.4984 48.9882 82.3891 760457.9508 -15.7373 -15.6291 PRESSURE: 2385000 -140.387 -43.1654 -73.8483 -43.1652 -159.309 24.8536 -73.8475 24.8526 -485.509 GPRESSURE: 2385000 -165.835 -38.9526 -83.4634 -119.745 -150.237 29.0758 20.1608 40.946 -394.86 PRESSAVG: 2385000 -80.5807 -59.6274 11.6453 -59.6274 67.6468 -11.0535 11.6453 -11.0536 -4.78116 GPRESSAVG: 2385000 -80.6878 -61.1258 10.0796 -58.5647 67.1848 -11.7432 12.9664 -11.1355 -3.87276 TIMING: 2385000 CPU: 7611.87, 0.0032186/step Wall: 7611.87, 0.0032186/step, 2.33796 hours remaining, 241.652344 MB of memory in use. ENERGY: 2385000 3966.3395 20419.5195 14413.4299 269.1141 -203208.8008 2465.9319 0.0000 0.0000 51722.1486 -109952.3172 297.2479 -161674.4659 -109579.3305 297.8051 -261.7348 -236.9773 762395.8491 -5.9050 -5.7919 PRESSURE: 2385200 -231.659 -108.88 -250.846 -108.88 -389.23 -143.022 -250.846 -143.021 -0.832696 GPRESSURE: 2385200 -109.278 -77.0223 -302.56 -93.4449 -419.613 -98.4157 -202.833 -98.4265 -1.88124 PRESSAVG: 2385200 19.134 -43.4884 20.5627 -43.4884 -48.0187 -44.6292 20.5627 -44.6291 22.3112 GPRESSAVG: 2385200 20.5846 -42.6518 20.6198 -45.1585 -48.6991 -44.266 19.7943 -44.6926 21.4983 TIMING: 2385200 CPU: 7612.51, 0.00321255/step Wall: 7612.51, 0.00321255/step, 2.33338 hours remaining, 241.652344 MB of memory in use. ENERGY: 2385200 3908.6616 20427.7944 14321.1190 231.9886 -203178.1341 2478.1248 0.0000 0.0000 51710.6105 -110099.8352 297.1816 -161810.4458 -109734.9493 297.8621 -207.2405 -176.9240 763872.0745 -2.1911 -2.2054 PRESSURE: 2385400 -63.9987 -27.9116 -186.816 -27.9128 -19.3224 26.5426 -186.815 26.5421 -141.213 GPRESSURE: 2385400 58.3969 -88.7051 -239.436 -28.9909 -46.4836 14.4109 -238.425 57.2261 -142.934 PRESSAVG: 2385400 46.2279 8.9697 -47.0716 8.96967 -73.7938 -68.6069 -47.0716 -68.6069 13.4295 GPRESSAVG: 2385400 47.3314 11.8554 -46.9399 8.18484 -73.9539 -67.8902 -45.8514 -66.8385 12.3893 TIMING: 2385400 CPU: 7613.15, 0.00321189/step Wall: 7613.15, 0.00321189/step, 2.33273 hours remaining, 241.652344 MB of memory in use. ENERGY: 2385400 3970.0733 20356.2449 14452.0307 262.1709 -203345.9387 2474.8406 0.0000 0.0000 52020.5471 -109810.0311 298.9628 -161830.5782 -109448.1392 298.1222 -74.8447 -43.6736 761554.3330 -4.7121 -4.7444 PRESSURE: 2385600 -339.834 111.546 53.5742 111.546 -105.791 45.7137 53.5744 45.7128 -227.122 GPRESSURE: 2385600 -294.604 129.265 -8.10095 114.372 -125.309 -8.03845 70.3887 -9.0662 -159.383 PRESSAVG: 2385600 -8.78003 -47.1992 2.78319 -47.1992 7.14549 24.8858 2.78315 24.8858 -19.8692 GPRESSAVG: 2385600 -8.4962 -51.3079 2.6236 -45.3624 6.25432 25.6908 0.922758 22.4289 -20.0784 TIMING: 2385600 CPU: 7613.8, 0.00321793/step Wall: 7613.8, 0.00321793/step, 2.33693 hours remaining, 241.652344 MB of memory in use. ENERGY: 2385600 3966.8809 20361.5406 14418.5389 267.1040 -202780.5402 2173.3844 0.0000 0.0000 51905.9025 -109687.1889 298.3039 -161593.0914 -109320.8002 298.3066 -224.2489 -193.0985 762569.8059 -7.1679 -7.4401 PRESSURE: 2385800 -183.371 -67.3455 -53.3376 -67.3442 104.203 125.812 -53.3372 125.812 -95.9964 GPRESSURE: 2385800 -245.225 -40.2206 -140.734 -8.85503 143.963 208.267 24.2791 149.788 15.3453 PRESSAVG: 2385800 -5.53045 -34.616 -16.2619 -34.616 19.9589 25.0274 -16.2619 25.0274 22.9162 GPRESSAVG: 2385800 -7.8732 -32.3231 -15.0535 -35.625 20.8638 24.0347 -16.5034 27.2957 24.3126 TIMING: 2385800 CPU: 7614.43, 0.00317203/step Wall: 7614.43, 0.00317203/step, 2.30342 hours remaining, 241.652344 MB of memory in use. ENERGY: 2385800 4028.4773 20420.9234 14394.6654 236.6000 -203403.4453 2618.7542 0.0000 0.0000 51851.6691 -109852.3558 297.9923 -161704.0250 -109496.5706 298.5651 -58.3884 -28.6390 762088.4716 12.4482 12.4344 PRESSURE: 2386000 24.043 50.483 -105.136 50.4827 -209.738 162.659 -105.136 162.659 -117.871 GPRESSURE: 2386000 52.3486 77.3118 -193.127 74.9426 -46.0415 107.542 -162.086 169.755 -217.711 PRESSAVG: 2386000 27.0406 -55.8617 -48.1117 -55.8617 -12.8695 -42.8009 -48.1118 -42.801 1.82192 GPRESSAVG: 2386000 27.6692 -58.0835 -47.8449 -57.1776 -11.993 -41.368 -48.3389 -45.2866 0.854075 TIMING: 2386000 CPU: 7615.07, 0.00317098/step Wall: 7615.07, 0.00317098/step, 2.30248 hours remaining, 241.652344 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: 2386000 3955.1959 20378.1503 14330.2962 238.2809 -202915.1776 2335.3891 0.0000 0.0000 52145.3151 -109532.5500 299.6798 -161677.8651 -109167.9289 298.6083 -101.1889 -70.4680 762450.9128 5.3310 5.5101 PRESSURE: 2386200 74.5574 -91.7325 -147.237 -91.7326 -239.755 75.9872 -147.236 75.9872 -148.831 GPRESSURE: 2386200 22.6264 -100.578 -96.3119 -16.3226 -129.735 91.6011 -168.05 104.705 -134.051 PRESSAVG: 2386200 60.5075 -53.9435 29.2112 -53.9435 -45.625 -4.79175 29.2112 -4.7917 27.7318 GPRESSAVG: 2386200 59.7295 -50.5625 26.5246 -52.7833 -46.0379 -7.91946 31.8921 -2.57169 28.8431 TIMING: 2386200 CPU: 7615.7, 0.00317134/step Wall: 7615.7, 0.00317134/step, 2.30257 hours remaining, 241.652344 MB of memory in use. ENERGY: 2386200 3934.7108 20574.0551 14430.5946 248.7291 -202976.4962 2235.6968 0.0000 0.0000 52080.6517 -109472.0582 299.3082 -161552.7099 -109102.7341 298.9204 -104.6761 -80.3863 763560.4492 14.2047 14.1782 PRESSURE: 2386400 -72.3376 24.5036 -34.2483 24.5039 -143.117 180.334 -34.2487 180.334 -226.868 GPRESSURE: 2386400 -14.4393 6.36852 -57.198 12.6137 -89.315 204.808 83.4982 31.7457 -249.433 PRESSAVG: 2386400 21.9103 -46.5202 3.52034 -46.5201 -61.8751 80.7108 3.52036 80.7108 -19.4506 GPRESSAVG: 2386400 24.1 -49.1184 4.3789 -45.8499 -62.496 82.2186 5.29016 78.41 -20.4077 TIMING: 2386400 CPU: 7616.33, 0.00316863/step Wall: 7616.33, 0.00316863/step, 2.30042 hours remaining, 241.652344 MB of memory in use. ENERGY: 2386400 4001.5807 20652.5829 14391.8213 255.3339 -203207.8881 2539.4321 0.0000 0.0000 52006.4622 -109360.6750 298.8819 -161367.1373 -109007.0979 299.5568 -147.4408 -117.7290 762981.3615 -19.8051 -19.6013 PRESSURE: 2386600 -208.437 -181.013 56.7181 -181.013 -465.083 149.453 56.7181 149.453 -401.342 GPRESSURE: 2386600 -235.087 -142.257 112.391 -182.261 -441.478 181.738 88.7531 192.381 -337.177 PRESSAVG: 2386600 51.3665 -35.2416 -42.4786 -35.2416 -30.3284 30.6512 -42.4787 30.6513 8.81332 GPRESSAVG: 2386600 49.3107 -32.5244 -40.7813 -37.1507 -27.7069 30.1433 -44.6252 31.947 9.07998 TIMING: 2386600 CPU: 7616.97, 0.00318683/step Wall: 7616.97, 0.00318683/step, 2.31346 hours remaining, 241.652344 MB of memory in use. ENERGY: 2386600 3996.1142 20590.8671 14483.2727 248.2896 -203135.1533 2450.9449 0.0000 0.0000 51971.4093 -109394.2554 298.6804 -161365.6647 -109035.9259 299.1524 -358.2877 -337.9141 762755.6504 9.9505 10.2279 PRESSURE: 2386800 -35.3287 60.3518 -34.9413 60.3521 145.67 -12.884 -34.9416 -12.8834 -101.685 GPRESSURE: 2386800 124.46 -25.889 -57.9178 149.863 113.259 108.724 -17.2047 0.357914 -159.361 PRESSAVG: 2386800 19.7841 -21.8148 -39.7195 -21.8149 -31.2654 -14.5869 -39.7194 -14.5869 -8.05267 GPRESSAVG: 2386800 20.8563 -23.6871 -39.9652 -20.3687 -32.7089 -12.3275 -41.6137 -13.6013 -7.93548 TIMING: 2386800 CPU: 7617.61, 0.00316845/step Wall: 7617.61, 0.00316845/step, 2.29994 hours remaining, 241.652344 MB of memory in use. ENERGY: 2386800 3926.4111 20448.6482 14380.8566 255.6405 -203124.7207 2778.8546 0.0000 0.0000 51898.2762 -109436.0335 298.2601 -161334.3097 -109070.4666 299.2587 2.8852 26.1196 764970.4835 -6.5113 -6.5960 PRESSURE: 2387000 -328.887 -124.662 -180.156 -124.661 76.4209 -53.2187 -180.155 -53.218 71.1458 GPRESSURE: 2387000 -233.173 -45.1433 -169.977 -119.506 134.049 -134.74 -126.026 6.50114 -0.53063 PRESSAVG: 2387000 -3.21982 -59.1178 -34.983 -59.1179 11.4988 -77.3357 -34.9831 -77.3358 0.435677 GPRESSAVG: 2387000 -2.91089 -59.4459 -37.0241 -59.0182 10.8509 -77.2684 -31.7894 -76.7571 0.276449 TIMING: 2387000 CPU: 7618.24, 0.00315003/step Wall: 7618.24, 0.00315003/step, 2.2864 hours remaining, 241.652344 MB of memory in use. ENERGY: 2387000 3955.5710 20367.9661 14435.1499 249.0399 -203736.7983 2845.4349 0.0000 0.0000 52269.3124 -109614.3241 300.3925 -161883.6366 -109261.2652 299.1237 -60.4400 -33.2183 762352.3112 2.9049 2.7388 PRESSURE: 2387200 34.5152 122.234 50.706 122.234 -89.6309 45.6961 50.7058 45.6968 -103.415 GPRESSURE: 2387200 4.31663 105.165 -68.4406 183.03 36.809 12.3664 -42.7861 16.8613 -107.674 PRESSAVG: 2387200 6.81343 -59.83 55.3032 -59.83 6.65109 -20.2907 55.3032 -20.2907 -7.60178 GPRESSAVG: 2387200 4.42863 -59.5719 55.7496 -59.8864 7.85738 -21.1078 54.1581 -20.3841 -6.41624 TIMING: 2387200 CPU: 7618.87, 0.0031633/step Wall: 7618.87, 0.0031633/step, 2.29585 hours remaining, 241.652344 MB of memory in use. ENERGY: 2387200 3852.4091 20610.5921 14371.0226 268.3677 -202732.9810 2380.9355 0.0000 0.0000 51906.1498 -109343.5042 298.3054 -161249.6541 -108986.8893 299.6428 -52.8435 -22.1829 762581.5324 1.9542 1.9566 PRESSURE: 2387400 132.239 -89.5561 83.0588 -89.5561 -55.675 49.2585 83.0583 49.2578 92.4663 GPRESSURE: 2387400 210.871 -61.1418 133.919 -94.9328 -48.6466 -20.681 27.0706 68.1991 69.8709 PRESSAVG: 2387400 42.0796 -29.1423 36.127 -29.1422 -16.2145 22.5488 36.127 22.5489 -14.8003 GPRESSAVG: 2387400 43.9498 -28.2583 35.7596 -29.5668 -17.7461 22.2939 33.9495 20.6132 -15.327 TIMING: 2387400 CPU: 7619.5, 0.0031704/step Wall: 7619.5, 0.0031704/step, 2.30083 hours remaining, 241.652344 MB of memory in use. ENERGY: 2387400 3938.1419 20569.7446 14406.7504 240.9246 -202860.1901 2360.8152 0.0000 0.0000 51945.6648 -109398.1485 298.5324 -161343.8133 -109047.8556 299.3082 56.3435 77.3653 763207.0356 3.6882 3.6256 PRESSURE: 2387600 87.352 76.8144 111.513 76.8152 58.0059 77.0749 111.513 77.0747 305.478 GPRESSURE: 2387600 116.651 77.3568 50.8276 -121.521 63.3012 58.8208 -57.5353 3.20375 361.407 PRESSAVG: 2387600 -9.95482 -81.1005 -56.247 -81.1005 -16.971 20.4285 -56.247 20.4286 -22.0879 GPRESSAVG: 2387600 -10.7156 -83.7574 -54.632 -81.6406 -16.4267 20.1668 -53.4379 22.7868 -21.8936 TIMING: 2387600 CPU: 7620.13, 0.00314646/step Wall: 7620.13, 0.00314646/step, 2.28328 hours remaining, 241.652344 MB of memory in use. ENERGY: 2387600 3949.1815 20412.1589 14363.9364 269.4701 -203818.8856 2986.7004 0.0000 0.0000 52627.4330 -109210.0054 302.4506 -161837.4384 -108847.8486 300.0309 150.2787 180.4532 761733.1204 -16.3379 -16.3453 PRESSURE: 2387800 -105.264 -43.1197 -166.066 -43.1196 -307.357 -103.209 -166.065 -103.209 233.102 GPRESSURE: 2387800 -151.234 44.5962 -47.7799 7.13372 -176.077 -144.043 -199.217 -24.6674 244.344 PRESSAVG: 2387800 33.269 48.1109 -85.3924 48.1109 -35.2264 11.8736 -85.3925 11.8735 -3.90142 GPRESSAVG: 2387800 32.3945 50.9032 -85.2378 47.5013 -33.8961 13.507 -86.2459 10.2135 -4.23816 TIMING: 2387800 CPU: 7620.76, 0.00314525/step Wall: 7620.76, 0.00314525/step, 2.28223 hours remaining, 241.652344 MB of memory in use. ENERGY: 2387800 3984.2871 20496.7278 14445.7735 235.9442 -202983.7315 2446.7180 0.0000 0.0000 51980.0254 -109394.2554 298.7299 -161374.2808 -109039.6109 299.0887 -59.8396 -27.6554 762679.5471 -1.9529 -1.9132 PRESSURE: 2388000 394.23 -29.8305 -256.461 -29.8294 93.6546 -157.675 -256.461 -157.675 -385.285 GPRESSURE: 2388000 377.665 -94.3951 -240.354 -53.0436 129.901 -127.565 -267.025 -54.8133 -313.202 PRESSAVG: 2388000 28.0539 10.045 -71.1571 10.045 -17.8779 -29.797 -71.1571 -29.797 -8.84399 GPRESSAVG: 2388000 29.2981 9.84792 -71.2481 10.6493 -19.327 -30.3732 -71.0099 -28.4182 -9.24891 TIMING: 2388000 CPU: 7621.39, 0.00315499/step Wall: 7621.39, 0.00315499/step, 2.28912 hours remaining, 241.652344 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: 2388000 3962.1469 20385.1091 14473.9254 262.4785 -203117.5601 2556.2440 0.0000 0.0000 51955.1323 -109522.5238 298.5869 -161477.6562 -109169.2295 298.9292 34.1997 64.7879 761675.0571 0.4440 0.2408 PRESSURE: 2388200 -64.3555 -72.3761 -317.874 -72.3758 -171.202 12.7892 -317.876 12.7887 122.218 GPRESSURE: 2388200 -30.347 -68.9736 -365.485 -5.4078 -128.193 -1.05285 -351.518 82.3564 119.776 PRESSAVG: 2388200 20.187 -24.5706 -98.5058 -24.5705 -44.3655 6.85114 -98.5058 6.85118 22.9797 GPRESSAVG: 2388200 19.5445 -26.4783 -98.9484 -24.7707 -44.3783 5.67001 -98.1922 8.8731 22.7402 TIMING: 2388200 CPU: 7622.02, 0.00316178/step Wall: 7622.02, 0.00316178/step, 2.29387 hours remaining, 241.652344 MB of memory in use. ENERGY: 2388200 3960.8449 20460.5848 14451.2354 246.6932 -202986.3089 2369.8667 0.0000 0.0000 51636.9701 -109860.1138 296.7584 -161497.0839 -109501.2464 298.5591 -37.7798 -12.9214 761002.3776 -0.3996 -0.6979 LDB: ============= START OF LOAD BALANCING ============== 7634.48 LDB: ============== END OF LOAD BALANCING =============== 7634.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.48 LDB: ============= START OF LOAD BALANCING ============== 7634.8 LDB: Largest compute 7076 load 0.035673 is 18.3% of average load 0.195361 LDB: Average compute 0.004388 is 2.2% of average load 0.195361 LDB: TIME 7634.8 LOAD: AVG 0.195361 MAX 0.216317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 7634.8 LOAD: AVG 0.195361 MAX 0.216317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: TIME 7634.8 LOAD: AVG 0.195361 MAX 0.216317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: ============== END OF LOAD BALANCING =============== 7634.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.81 PRESSURE: 2388400 107.076 -57.8245 29.3929 -57.824 54.1376 -103.379 29.3924 -103.379 286.343 GPRESSURE: 2388400 187.265 90.2465 115.467 36.1194 105.87 -83.1567 64.9461 -78.5685 240.977 PRESSAVG: 2388400 -34.5792 0.501617 -46.2436 0.501674 33.5376 6.67486 -46.2436 6.6748 11.7539 GPRESSAVG: 2388400 -34.6869 1.6423 -45.4225 2.39585 34.1393 8.26842 -45.5326 2.58437 11.6848 TIMING: 2388400 CPU: 7622.67, 0.00323201/step Wall: 7622.67, 0.00323201/step, 2.34464 hours remaining, 240.347656 MB of memory in use. ENERGY: 2388400 3989.3698 20589.7257 14409.1927 239.5771 -203400.4235 2499.0183 0.0000 0.0000 51864.0393 -109809.5007 298.0633 -161673.5400 -109450.3469 298.4633 149.1856 178.0373 760559.4791 3.5708 3.7124 PRESSURE: 2388600 -95.9536 -123.764 -47.3808 -123.763 174.545 -138.605 -47.3805 -138.604 46.6807 GPRESSURE: 2388600 -45.9936 -55.8921 -102.67 -164.555 215.925 -85.5135 -28.9666 -196.91 62.3951 PRESSAVG: 2388600 5.50529 24.7497 -8.24677 24.7498 4.13599 -85.8702 -8.24671 -85.8701 20.3791 GPRESSAVG: 2388600 6.4481 23.3302 -8.97987 24.6236 2.89182 -86.3747 -8.95006 -83.6273 21.0849 TIMING: 2388600 CPU: 7623.3, 0.00314206/step Wall: 7623.3, 0.00314206/step, 2.27922 hours remaining, 240.347656 MB of memory in use. ENERGY: 2388600 3933.1331 20265.1622 14408.6901 262.4240 -203608.3814 2704.3621 0.0000 0.0000 52129.7496 -109904.8604 299.5904 -162034.6099 -109546.1700 298.3210 41.7575 77.4422 759235.7623 10.0068 10.1416 PRESSURE: 2388800 -41.6451 43.351 -58.6003 43.3513 -221.292 -38.0205 -58.6001 -38.0206 25.5639 GPRESSURE: 2388800 12.8042 45.0577 40.9775 83.491 -167.94 -136.122 -19.4174 17.1026 1.21689 PRESSAVG: 2388800 -13.2136 -52.5187 9.01448 -52.5186 7.60526 -28.9973 9.01451 -28.9974 25.3454 GPRESSAVG: 2388800 -13.2133 -51.702 9.28595 -54.1982 8.32951 -29.4056 9.69831 -29.6059 24.895 TIMING: 2388800 CPU: 7623.93, 0.00314048/step Wall: 7623.93, 0.00314048/step, 2.2779 hours remaining, 240.347656 MB of memory in use. ENERGY: 2388800 3968.0127 20586.4781 14370.8719 245.6812 -203589.2469 2698.9049 0.0000 0.0000 51804.3487 -109914.9493 297.7203 -161719.2981 -109554.8405 298.2319 -79.1243 -51.3061 761246.8773 6.5790 6.6704 PRESSURE: 2389000 36.8101 -123.113 103.273 -123.112 -172.464 -279.348 103.274 -279.349 130.007 GPRESSURE: 2389000 61.8581 -133.262 193.964 -200.328 -169.639 -334.414 93.4972 -293.418 177.584 PRESSAVG: 2389000 -1.86253 -48.7004 -5.55172 -48.7004 38.3545 -7.87193 -5.55174 -7.87184 8.20882 GPRESSAVG: 2389000 -1.02137 -47.6239 -6.19783 -49.8424 37.075 -6.95312 -4.45168 -9.6296 9.18167 TIMING: 2389000 CPU: 7624.56, 0.00314934/step Wall: 7624.56, 0.00314934/step, 2.28415 hours remaining, 240.347656 MB of memory in use. ENERGY: 2389000 3877.9905 20510.4098 14446.5652 243.1313 -203696.5151 2555.6977 0.0000 0.0000 52074.2375 -109988.4831 299.2714 -162062.7206 -109621.7719 298.4544 -1.8821 23.2678 761656.3636 14.9003 15.0784 PRESSURE: 2389200 -83.0634 150.351 -159.273 150.351 -315.281 -77.5124 -159.274 -77.5138 282.616 GPRESSURE: 2389200 83.3528 128.695 -151.373 218.085 -395.285 -125.264 -188.563 -45.7923 291.713 PRESSAVG: 2389200 49.9463 -47.3494 -5.2959 -47.3494 -43.2522 9.00437 -5.29592 9.00441 24.766 GPRESSAVG: 2389200 49.3807 -47.1205 -5.20486 -45.9355 -42.8879 7.56227 -6.04967 10.3086 24.7654 TIMING: 2389200 CPU: 7625.19, 0.00314915/step Wall: 7625.19, 0.00314915/step, 2.28383 hours remaining, 240.347656 MB of memory in use. ENERGY: 2389200 3997.4242 20491.3792 14396.6843 245.9822 -202893.5267 2296.3961 0.0000 0.0000 51541.8466 -109923.8141 296.2117 -161465.6608 -109578.1998 298.0621 -38.5762 -6.7398 762190.0811 10.4867 10.4194 PRESSURE: 2389400 -38.6315 68.977 25.0736 68.9776 -175.399 83.2998 25.0746 83.2989 -8.37941 GPRESSURE: 2389400 -102.716 82.5581 -74.6524 51.0106 -186.729 10.748 -79.6109 -0.143068 155.184 PRESSAVG: 2389400 21.4659 -11.3501 -5.97343 -11.35 3.42083 -10.7535 -5.97337 -10.7535 15.1209 GPRESSAVG: 2389400 21.1377 -11.9974 -4.95925 -13.1617 4.23496 -10.0803 -5.43639 -11.3103 14.6801 TIMING: 2389400 CPU: 7625.82, 0.00315261/step Wall: 7625.82, 0.00315261/step, 2.28617 hours remaining, 240.347656 MB of memory in use. ENERGY: 2389400 4031.3320 20500.1774 14439.7444 239.7625 -203794.6529 2666.5982 0.0000 0.0000 52042.8119 -109874.2265 299.0908 -161917.0384 -109522.3056 297.9993 -74.1365 -44.7535 761376.1208 13.3359 13.3509 PRESSURE: 2389600 27.4637 -15.8044 137.246 -15.8041 -130.781 242.071 137.245 242.072 -9.32997 GPRESSURE: 2389600 31.8106 -35.2909 53.7442 -58.2759 -74.0949 186.204 189.003 263.502 21.1153 PRESSAVG: 2389600 43.3303 0.479246 23.572 0.479234 -42.6755 0.527205 23.5721 0.527179 23.3695 GPRESSAVG: 2389600 41.4098 1.60753 22.201 1.35124 -41.1723 -0.296096 20.8796 -0.38159 24.1958 TIMING: 2389600 CPU: 7626.45, 0.00317256/step Wall: 7626.45, 0.00317256/step, 2.30046 hours remaining, 240.347656 MB of memory in use. ENERGY: 2389600 4016.5155 20564.2422 14517.7958 236.8130 -203351.3470 2467.5486 0.0000 0.0000 51848.0749 -109700.3571 297.9716 -161548.4320 -109349.2246 298.6420 -37.5490 -7.0563 760577.2623 8.0081 8.1444 PRESSURE: 2389800 -126.223 79.7687 305.426 79.7686 -167.421 -220.226 305.426 -220.226 450.245 GPRESSURE: 2389800 -72.172 -61.8816 302.805 189.841 -157.457 -201.963 196.249 -141.331 459.09 PRESSAVG: 2389800 20.7638 -47.5618 86.1661 -47.5617 -13.794 7.30069 86.1661 7.30072 13.3402 GPRESSAVG: 2389800 21.7755 -49.1271 86.2718 -48.0681 -16.3664 9.76099 87.7686 9.07738 14.0568 TIMING: 2389800 CPU: 7627.08, 0.0031672/step Wall: 7627.08, 0.0031672/step, 2.29639 hours remaining, 240.347656 MB of memory in use. ENERGY: 2389800 3951.2779 20574.0618 14491.9640 240.5354 -203599.9469 2718.4331 0.0000 0.0000 52008.0790 -109615.5957 298.8911 -161623.6747 -109260.5456 298.5003 52.2002 76.4872 760197.9048 6.7700 6.4886 PRESSURE: 2390000 333.789 -100.263 51.264 -100.263 7.32413 10.8484 51.2641 10.8478 -1.89891 GPRESSURE: 2390000 239.797 -219.212 136.527 16.6392 96.34 -28.46 71.9771 -18.5918 80.8388 PRESSAVG: 2390000 8.20962 -42.7689 10.8816 -42.7689 -16.7017 8.5319 10.8816 8.53195 0.660592 GPRESSAVG: 2390000 8.70412 -43.9114 10.566 -41.4625 -16.1494 5.07308 10.4599 10.4464 -0.22739 TIMING: 2390000 CPU: 7627.72, 0.00316928/step Wall: 7627.72, 0.00316928/step, 2.29773 hours remaining, 240.347656 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: 2390000 3946.7188 20525.2204 14421.3938 249.8750 -203534.0693 2761.1372 0.0000 0.0000 52192.6629 -109437.0612 299.9520 -161629.7241 -109070.4522 298.9845 113.0716 138.9921 761393.0933 -2.6105 -2.5575 PRESSURE: 2390200 145.408 -84.0111 -71.6285 -84.0125 -323.311 -14.0751 -71.6284 -14.0761 61.341 GPRESSURE: 2390200 145.516 14.9568 -119.836 -38.1216 -292.337 40.4578 -87.6791 -38.1853 117.884 PRESSAVG: 2390200 -3.02041 -7.5854 64.1988 -7.58541 -38.0027 2.87541 64.1988 2.87535 20.3696 GPRESSAVG: 2390200 -3.2576 -5.03074 65.057 -9.62487 -37.4157 3.81387 63.7704 3.76086 19.797 TIMING: 2390200 CPU: 7628.35, 0.00316733/step Wall: 7628.35, 0.00316733/step, 2.29614 hours remaining, 240.347656 MB of memory in use. ENERGY: 2390200 4011.8308 20656.8998 14450.6578 252.1903 -203580.6546 2759.6286 0.0000 0.0000 52030.2559 -109419.1915 299.0186 -161449.4474 -109057.6103 299.5759 -38.8542 -9.6456 763110.0431 -6.8845 -6.9588 PRESSURE: 2390400 -361.924 -63.3033 11.8932 -63.3032 -241.214 149.213 11.8932 149.214 -31.4548 GPRESSURE: 2390400 -309.244 -35.5496 31.354 -0.757713 -203.313 154.417 89.301 210.993 -35.3323 PRESSAVG: 2390400 30.6231 -51.957 64.1615 -51.9571 3.48872 -30.0418 64.1615 -30.0418 4.5663 GPRESSAVG: 2390400 29.6829 -53.2291 63.4518 -50.8406 2.42432 -29.7747 65.5155 -32.2307 6.38118 TIMING: 2390400 CPU: 7628.99, 0.0032046/step Wall: 7628.99, 0.00320459/step, 2.32298 hours remaining, 240.347656 MB of memory in use. ENERGY: 2390400 4030.1756 20462.2100 14441.0164 261.9406 -203410.5460 2707.4441 0.0000 0.0000 52142.9871 -109364.7722 299.6665 -161507.7594 -109009.8411 299.9106 -211.5309 -182.6297 764188.6866 12.8927 12.8295 PRESSURE: 2390600 -271.338 101.323 -55.4458 101.323 -343.571 63.9705 -55.4457 63.9714 -380.876 GPRESSURE: 2390600 -208.886 102.165 -26.0054 93.5778 -288.11 60.7341 -127.865 -3.8194 -400.258 PRESSAVG: 2390600 63.2272 -50.5499 19.2442 -50.5499 -36.2587 41.6307 19.2442 41.6307 -8.14962 GPRESSAVG: 2390600 64.1957 -49.6116 19.1832 -50.9977 -35.2187 42.2205 19.2485 41.6778 -10.0669 TIMING: 2390600 CPU: 7629.63, 0.00319263/step Wall: 7629.63, 0.00319263/step, 2.31412 hours remaining, 240.347656 MB of memory in use. ENERGY: 2390600 4017.4619 20550.3704 14429.5823 237.9520 -202859.8280 2288.1587 0.0000 0.0000 52007.1573 -109329.1454 298.8858 -161336.3027 -108978.3174 299.3736 -331.9285 -299.0843 763280.6657 6.2730 6.3034 PRESSURE: 2390800 -98.05 -87.652 -95.9745 -87.6517 -67.4838 -238.649 -95.9737 -238.649 -108.996 GPRESSURE: 2390800 -60.7237 -164.548 -53.6475 -58.0011 -34.682 -211.514 -25.0109 -174.639 -72.486 PRESSAVG: 2390800 7.80101 -39.5475 -31.2933 -39.5475 -16.5989 1.85443 -31.2933 1.85447 -11.6696 GPRESSAVG: 2390800 7.5537 -41.9707 -31.1473 -38.06 -15.9209 1.97202 -31.748 1.56887 -12.0536 TIMING: 2390800 CPU: 7630.26, 0.00316047/step Wall: 7630.26, 0.00316047/step, 2.29064 hours remaining, 240.347656 MB of memory in use. ENERGY: 2390800 4007.5864 20409.5608 14528.7370 246.4971 -203188.7930 2712.5330 0.0000 0.0000 51985.5581 -109298.3207 298.7617 -161283.8787 -108936.4872 299.4473 -91.5100 -55.9639 762866.4427 -6.8225 -6.8069 PRESSURE: 2391000 -3.24919 -13.3592 26.5615 -13.3597 160.177 248.995 26.5609 248.994 -156.854 GPRESSURE: 2391000 74.7649 22.8576 4.98004 -32.8241 107.728 294.578 27.1518 217.056 -106.183 PRESSAVG: 2391000 8.73331 -23.785 20.4434 -23.785 -18.0914 -15.639 20.4433 -15.6389 5.44631 GPRESSAVG: 2391000 10.0964 -23.8755 20.3343 -24.2684 -19.1829 -16.2685 21.007 -14.0844 4.98809 TIMING: 2391000 CPU: 7630.89, 0.00315041/step Wall: 7630.89, 0.00315041/step, 2.28317 hours remaining, 240.347656 MB of memory in use. ENERGY: 2391000 3888.6830 20485.3255 14403.1031 259.0442 -203196.0407 2644.9372 0.0000 0.0000 52159.3907 -109355.5569 299.7607 -161514.9476 -108978.1085 299.1472 0.0245 25.4369 764384.5940 -1.3039 -1.3661 PRESSURE: 2391200 -315.297 140.566 188.207 140.565 -5.70631 -10.3596 188.207 -10.3588 -478.034 GPRESSURE: 2391200 -255.048 163.018 173.962 75.5464 -18.6136 -1.97018 56.0219 78.1581 -422.929 PRESSAVG: 2391200 -19.9055 -55.7989 32.6885 -55.7989 16.5521 -21.5445 32.6885 -21.5445 -14.1219 GPRESSAVG: 2391200 -20.3048 -55.418 33.6566 -57.0218 16.4794 -22.0019 32.8009 -23.3874 -13.3113 TIMING: 2391200 CPU: 7631.52, 0.00315416/step Wall: 7631.52, 0.00315416/step, 2.28571 hours remaining, 240.347656 MB of memory in use. ENERGY: 2391200 3973.3183 20495.5000 14447.0712 249.2935 -203254.5328 2621.3800 0.0000 0.0000 52053.6872 -109414.2826 299.1533 -161467.9697 -109051.3446 299.3245 -266.3455 -232.1969 763658.3713 -5.8251 -5.7122 PRESSURE: 2391400 -40.0003 16.2426 -138.596 16.2427 -63.7565 -98.2152 -138.596 -98.2145 335.384 GPRESSURE: 2391400 16.6792 106.048 -27.5567 -22.3564 25.4183 -91.7829 -139.45 -43.9812 264.532 PRESSAVG: 2391400 -28.1903 -16.208 40.5151 -16.2081 -2.68162 -61.8711 40.5151 -61.8711 -4.50319 GPRESSAVG: 2391400 -28.8401 -16.4147 42.8406 -17.0737 -2.52305 -60.3734 39.7565 -60.6915 -4.08457 TIMING: 2391400 CPU: 7632.16, 0.00315661/step Wall: 7632.16, 0.00315661/step, 2.28732 hours remaining, 240.347656 MB of memory in use. ENERGY: 2391400 4009.0177 20609.4945 14459.7965 241.3171 -203499.2562 2763.4476 0.0000 0.0000 51799.8521 -109616.3308 297.6945 -161416.1828 -109259.9584 298.7369 77.2092 102.2099 762503.5840 -11.7917 -11.8159 PRESSURE: 2391600 310.751 -163.634 87.5319 -163.634 -12.3406 -14.7951 87.5308 -14.795 95.1936 GPRESSURE: 2391600 262.785 -185.976 74.9822 -193.726 55.0489 -81.1998 163.584 -77.7473 127.918 PRESSAVG: 2391600 5.27936 -77.6688 51.5483 -77.6687 38.188 -48.7938 51.5483 -48.7937 -14.3775 GPRESSAVG: 2391600 4.1206 -75.6874 48.8156 -75.9297 37.1317 -49.6183 52.5886 -49.4392 -12.5713 TIMING: 2391600 CPU: 7632.79, 0.00314785/step Wall: 7632.79, 0.00314785/step, 2.28079 hours remaining, 240.347656 MB of memory in use. ENERGY: 2391600 3964.7289 20474.1224 14497.7227 239.6463 -203305.5808 2683.3642 0.0000 0.0000 51899.6172 -109546.3792 298.2678 -161445.9964 -109190.7758 298.7510 131.2014 148.5841 761083.2170 9.6966 9.5604 PRESSURE: 2391800 22.0439 52.4115 273.058 52.4117 466.572 -123.293 273.058 -123.293 514.445 GPRESSURE: 2391800 169.581 -74.179 146.922 -41.0185 436.926 -65.2787 146.983 -141.355 480.953 PRESSAVG: 2391800 6.55307 -39.2315 12.6927 -39.2315 -2.13797 12.2045 12.6927 12.2045 -3.66777 GPRESSAVG: 2391800 7.90328 -41.1687 13.018 -40.2361 -2.05076 12.6013 10.2295 15.0443 -4.89172 TIMING: 2391800 CPU: 7633.42, 0.00316942/step Wall: 7633.42, 0.00316942/step, 2.29624 hours remaining, 240.347656 MB of memory in use. ENERGY: 2391800 3950.5935 20496.8335 14436.9970 251.4159 -203146.8193 2502.0213 0.0000 0.0000 51812.0545 -109696.9036 297.7646 -161508.9581 -109338.2994 298.7728 334.3538 362.4863 761214.9563 0.2491 0.3203 PRESSURE: 2392000 42.1161 -67.3959 -20.231 -67.3965 207.682 236.606 -20.2304 236.605 235.507 GPRESSURE: 2392000 123.233 -52.3276 -41.5658 14.6137 159.359 246.115 29.9483 222.139 290.117 PRESSAVG: 2392000 -18.1101 -57.9498 14.5823 -57.9498 -20.6381 -23.1164 14.5823 -23.1164 11.427 GPRESSAVG: 2392000 -16.5484 -56.6828 15.3484 -58.0762 -22.1233 -24.0961 17.4773 -23.551 12.0097 TIMING: 2392000 CPU: 7634.05, 0.0031674/step Wall: 7634.05, 0.0031674/step, 2.29461 hours remaining, 240.347656 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: 2392000 3989.8263 20491.0271 14460.3296 219.8258 -203381.6007 2744.9384 0.0000 0.0000 51998.8618 -109476.7917 298.8382 -161475.6536 -109125.1656 299.0105 161.7683 190.9033 761248.5267 -9.1071 -8.8873 PRESSURE: 2392200 -230.81 -8.24051 173.742 -8.23996 -200.699 -6.90773 173.742 -6.90882 157.684 GPRESSURE: 2392200 -127.137 -41.2129 200.524 -7.46124 -189.163 34.1859 132.115 53.0835 152.069 PRESSAVG: 2392200 -36.3432 -76.9332 10.8915 -76.9332 -0.265101 -54.1706 10.8915 -54.1706 -11.2849 GPRESSAVG: 2392200 -37.3473 -78.948 9.33159 -75.6143 0.201296 -54.5034 11.6594 -55.6373 -10.4966 TIMING: 2392200 CPU: 7634.68, 0.00314733/step Wall: 7634.68, 0.00314733/step, 2.27989 hours remaining, 240.347656 MB of memory in use. ENERGY: 2392200 4028.6092 20533.0127 14473.1929 253.7255 -203639.0386 2594.4337 0.0000 0.0000 52151.4401 -109604.6246 299.7150 -161756.0648 -109264.3205 298.7192 -91.2749 -54.7438 760975.5198 -15.9644 -15.8809 LDB: ============= START OF LOAD BALANCING ============== 7647.13 LDB: ============== END OF LOAD BALANCING =============== 7647.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7647.13 LDB: ============= START OF LOAD BALANCING ============== 7647.45 LDB: Largest compute 7044 load 0.037194 is 19.1% of average load 0.195133 LDB: Average compute 0.004394 is 2.3% of average load 0.195133 LDB: TIME 7647.45 LOAD: AVG 0.195133 MAX 0.212892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 7647.45 LOAD: AVG 0.195133 MAX 0.212892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 7647.45 LOAD: AVG 0.195133 MAX 0.212892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 7647.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7647.46 PRESSURE: 2392400 99.3304 -168.317 -42.7179 -168.317 56.133 50.4196 -42.7183 50.4185 388.188 GPRESSURE: 2392400 142.586 -168.083 16.2103 -215.16 117.537 85.414 -103.439 41.0276 365.006 PRESSAVG: 2392400 65.8286 -4.29873 77.2744 -4.29879 -13.852 -12.5361 77.2745 -12.5361 -2.33146 GPRESSAVG: 2392400 66.1294 -3.49351 78.8562 -2.61292 -11.6981 -12.5605 74.4427 -12.4543 -4.46015 TIMING: 2392400 CPU: 7635.32, 0.00321025/step Wall: 7635.32, 0.00321025/step, 2.32529 hours remaining, 240.867188 MB of memory in use. ENERGY: 2392400 3966.3483 20455.4438 14459.1311 257.1669 -203125.0183 2406.9089 0.0000 0.0000 52025.0823 -109554.9370 298.9889 -161580.0193 -109183.3343 298.9786 181.2170 208.3762 761905.8655 16.5484 16.6570 PRESSURE: 2392600 0.430114 222.401 -271.612 222.4 141.663 -98.8542 -271.612 -98.855 -306.867 GPRESSURE: 2392600 -39.4979 116.949 -202.516 166.673 241.512 -105.388 -116.182 -157.293 -283.835 PRESSAVG: 2392600 -31.7152 -12.9718 -1.80392 -12.9719 19.003 -61.2504 -1.80387 -61.2503 0.444792 GPRESSAVG: 2392600 -32.3669 -12.9007 -0.83906 -15.0086 18.6509 -60.4105 -0.699507 -60.4827 1.3951 TIMING: 2392600 CPU: 7635.96, 0.00316112/step Wall: 7635.96, 0.00316112/step, 2.28953 hours remaining, 240.867188 MB of memory in use. ENERGY: 2392600 4083.7272 20443.6142 14503.4872 252.8987 -203194.6786 2454.2147 0.0000 0.0000 52261.6247 -109195.1119 300.3483 -161456.7366 -108833.6435 299.3493 -54.9244 -27.2736 761521.9711 -4.0892 -4.1070 PRESSURE: 2392800 38.6646 -25.1675 226.869 -25.1684 -245.838 245.282 226.869 245.281 -365.031 GPRESSURE: 2392800 91.204 4.20242 153.159 -14.6481 -186.534 183.91 171.315 191.625 -386.16 PRESSAVG: 2392800 -38.3731 -40.3143 15.9529 -40.3144 27.6743 10.4943 15.9529 10.4943 22.028 GPRESSAVG: 2392800 -37.6316 -42.2331 14.8544 -39.0413 27.6516 11.3047 17.2039 11.4125 21.7876 TIMING: 2392800 CPU: 7636.59, 0.00315738/step Wall: 7636.59, 0.00315738/step, 2.28665 hours remaining, 240.867188 MB of memory in use. ENERGY: 2392800 3962.3105 20545.8457 14419.8854 254.5127 -203157.0714 2707.0387 0.0000 0.0000 51858.9302 -109408.5481 298.0340 -161267.4784 -109053.9859 299.4240 -190.7347 -160.4966 762108.5726 3.7764 3.9359 PRESSURE: 2393000 136.831 -256.13 -120.012 -256.13 316.122 -268.512 -120.013 -268.512 189.962 GPRESSURE: 2393000 203.733 -90.963 -146.466 -165.066 380.11 -388.704 -169.535 -188.511 138.502 PRESSAVG: 2393000 -17.4749 -75.4101 2.52955 -75.4101 -36.4289 -17.6407 2.52958 -17.6407 -26.4069 GPRESSAVG: 2393000 -16.9292 -72.6581 2.68182 -75.5837 -36.9731 -19.197 2.67913 -19.8704 -26.4424 TIMING: 2393000 CPU: 7637.22, 0.00317124/step Wall: 7637.22, 0.00317124/step, 2.29651 hours remaining, 240.867188 MB of memory in use. ENERGY: 2393000 3982.3445 20573.3403 14444.2761 255.1295 -203166.9753 2786.1444 0.0000 0.0000 51951.4444 -109174.2962 298.5657 -161125.7406 -108817.4751 299.2617 214.3049 240.7819 762168.8130 -26.7702 -26.7816 PRESSURE: 2393200 12.4719 -143.536 -158.154 -143.536 -262.914 29.3402 -158.155 29.3399 -119.995 GPRESSURE: 2393200 12.4496 -172.673 -208.597 -215.509 -179.066 209.053 -115.612 -74.8017 -107.038 PRESSAVG: 2393200 6.63035 -100.058 -11.3513 -100.058 -9.22705 -21.2129 -11.3514 -21.2129 16.0615 GPRESSAVG: 2393200 6.38158 -101.124 -11.1485 -102.662 -9.00879 -20.2037 -9.71948 -18.874 16.3643 TIMING: 2393200 CPU: 7637.85, 0.00313651/step Wall: 7637.85, 0.00313651/step, 2.27118 hours remaining, 240.867188 MB of memory in use. ENERGY: 2393200 3986.0457 20496.6974 14394.6641 266.4074 -203075.3722 2363.8905 0.0000 0.0000 52360.6987 -109206.9684 300.9177 -161567.6671 -108829.2029 299.5508 -123.4792 -91.2180 762661.2104 4.4883 4.5790 PRESSURE: 2393400 -169.459 -412.564 -4.22107 -412.564 -235.984 68.9439 -4.2212 68.9444 -71.6543 GPRESSURE: 2393400 -143.294 -293.058 9.77613 -443.33 -206.189 -45.2486 -0.262338 77.5791 -54.3393 PRESSAVG: 2393400 28.4243 -22.8639 -11.8238 -22.864 -37.6003 17.9586 -11.8238 17.9586 -13.4024 GPRESSAVG: 2393400 29.0938 -22.7138 -10.756 -21.0898 -38.3092 17.5561 -14.1686 16.0521 -13.3095 TIMING: 2393400 CPU: 7638.48, 0.00313017/step Wall: 7638.48, 0.00313017/step, 2.26642 hours remaining, 240.867188 MB of memory in use. ENERGY: 2393400 4016.1539 20464.3524 14414.7659 260.9915 -202658.9360 2320.6273 0.0000 0.0000 52236.5689 -108945.4761 300.2043 -161182.0450 -108582.3759 300.1982 -159.0326 -134.6074 761977.4944 -7.5261 -7.5083 PRESSURE: 2393600 186.106 -126.709 -120.404 -126.71 70.3186 -102.589 -120.405 -102.589 -34.6344 GPRESSURE: 2393600 174.373 -177.469 -149.567 -45.0051 70.0656 52.6608 -125.579 -4.64752 55.3062 PRESSAVG: 2393600 41.9972 -66.0122 9.61108 -66.0122 -71.1126 17.1625 9.61107 17.1625 3.16849 GPRESSAVG: 2393600 41.9234 -65.3431 9.01433 -66.8777 -70.7394 17.7857 9.79381 18.366 2.93221 TIMING: 2393600 CPU: 7639.1, 0.00314246/step Wall: 7639.1, 0.00314246/step, 2.27514 hours remaining, 240.867188 MB of memory in use. ENERGY: 2393600 3991.2696 20569.8166 14500.7433 250.0424 -203170.2619 2650.8622 0.0000 0.0000 51992.3448 -109215.1831 298.8007 -161207.5279 -108852.3431 299.5408 73.9301 99.9149 761068.4915 -8.6490 -8.6279 PRESSURE: 2393800 -12.9162 -105.29 232.045 -105.29 196.941 -27.7273 232.045 -27.7274 -184.36 GPRESSURE: 2393800 -37.8829 -141.12 141.022 3.8023 195.912 -70.3724 327.393 139.403 -76.0455 PRESSAVG: 2393800 -69.2676 -23.8335 -8.63159 -23.8335 38.7032 4.40365 -8.6316 4.40358 6.56234 GPRESSAVG: 2393800 -70.1754 -24.3834 -10.2043 -21.7753 39.1303 4.96831 -7.65066 4.91997 7.38103 TIMING: 2393800 CPU: 7639.74, 0.00316452/step Wall: 7639.74, 0.00316452/step, 2.29093 hours remaining, 240.867188 MB of memory in use. ENERGY: 2393800 4007.0430 20568.6712 14558.7651 262.6046 -202848.5185 2330.7607 0.0000 0.0000 52053.6026 -109067.0714 299.1528 -161120.6740 -108711.4388 299.6617 -0.1117 27.3279 760130.1126 -8.0007 -7.8880 PRESSURE: 2394000 -429.399 9.45269 -4.95885 9.45265 -358.825 152.665 -4.9593 152.665 223.852 GPRESSURE: 2394000 -285.02 -4.27661 -17.1374 -60.1186 -313.065 118.209 15.9133 92.5977 140.399 PRESSAVG: 2394000 19.9652 19.344 10.599 19.3439 -6.09775 3.53879 10.5989 3.53883 -2.60555 GPRESSAVG: 2394000 19.8733 19.6157 10.7065 19.1303 -5.68345 2.10774 11.4086 2.3561 -2.91634 TIMING: 2394000 CPU: 7640.36, 0.00313477/step Wall: 7640.36, 0.00313477/step, 2.26923 hours remaining, 240.867188 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: 2394000 4068.3939 20377.8392 14435.9430 266.4756 -202997.3694 2425.8573 0.0000 0.0000 52254.4247 -109168.4357 300.3069 -161422.8604 -108805.8288 300.2324 -188.1241 -152.5621 761869.0505 3.7540 3.7578 PRESSURE: 2394200 -293.342 48.607 320.946 48.6071 83.4706 13.9739 320.946 13.9743 -272.484 GPRESSURE: 2394200 -189.758 19.1278 301.151 31.2264 130.246 -70.8943 214.214 26.8651 -328.507 PRESSAVG: 2394200 -3.85959 29.3491 -20.9285 29.3491 -12.6527 -2.76092 -20.9284 -2.76088 8.08955 GPRESSAVG: 2394200 -3.28211 28.0789 -21.065 29.3696 -12.0275 -2.13442 -20.3043 -1.63093 7.22197 TIMING: 2394200 CPU: 7640.99, 0.00313382/step Wall: 7640.99, 0.00313382/step, 2.26836 hours remaining, 240.867188 MB of memory in use. ENERGY: 2394200 3971.1254 20599.9136 14466.7092 231.6843 -202828.1206 2307.7730 0.0000 0.0000 52169.2766 -109081.6386 299.8175 -161250.9152 -108709.1078 299.5929 -160.7852 -129.3396 762540.6883 -2.8076 -2.6959 PRESSURE: 2394400 -24.1535 -216.095 -157.318 -216.094 -121.022 147.347 -157.317 147.346 -16.6518 GPRESSURE: 2394400 -53.3817 -101.776 -163.033 -224.441 -103.334 83.5774 -79.6713 119.088 48.7134 PRESSAVG: 2394400 -11.7168 -22.7137 20.0596 -22.7138 30.0168 -16.3531 20.0596 -16.3531 -0.440612 GPRESSAVG: 2394400 -13.5709 -22.867 20.6036 -22.9402 30.3603 -18.2084 18.9883 -15.098 0.557715 TIMING: 2394400 CPU: 7641.62, 0.00313063/step Wall: 7641.62, 0.00313063/step, 2.26588 hours remaining, 240.867188 MB of memory in use. ENERGY: 2394400 4025.5611 20606.3658 14537.2460 244.0499 -202964.6970 2401.0968 0.0000 0.0000 52160.7337 -108989.6438 299.7685 -161150.3775 -108625.6252 299.8177 -53.9426 -36.0009 762112.0965 5.9531 5.7824 PRESSURE: 2394600 -305.142 -82.6401 230.097 -82.6406 174.382 -146.069 230.096 -146.069 159.356 GPRESSURE: 2394600 -273.913 -79.2043 286.695 -190.103 275.303 -79.6284 282.511 -187.002 119.374 PRESSAVG: 2394600 15.9666 -60.95 9.86871 -60.9501 -29.7622 18.9994 9.86873 18.9995 -23.0065 GPRESSAVG: 2394600 18.2422 -59.8183 9.31513 -61.8639 -30.9775 20.6176 10.0422 16.6784 -23.967 TIMING: 2394600 CPU: 7642.25, 0.00314953/step Wall: 7642.25, 0.00314953/step, 2.27939 hours remaining, 240.867188 MB of memory in use. ENERGY: 2394600 4015.9557 20656.2047 14466.6207 248.4344 -203216.9374 2690.3549 0.0000 0.0000 52167.8217 -108971.5454 299.8092 -161139.3671 -108619.5184 300.0874 9.5318 40.2546 761874.6049 -12.2674 -12.2341 PRESSURE: 2394800 0.733681 -287.781 -35.6483 -287.781 -105.741 -156.947 -35.6477 -156.948 -26.2116 GPRESSURE: 2394800 12.9409 -376.325 -81.4277 -331.739 -48.6651 -107.159 -78.663 -53.0905 -2.13042 PRESSAVG: 2394800 32.9413 -4.74778 7.73721 -4.74778 -22.4528 -11.626 7.73728 -11.6259 -8.63976 GPRESSAVG: 2394800 31.6538 -4.47666 6.74758 -6.46054 -21.8663 -12.6114 7.55294 -12.2115 -7.60477 TIMING: 2394800 CPU: 7642.87, 0.0031328/step Wall: 7642.87, 0.00313281/step, 2.26711 hours remaining, 240.867188 MB of memory in use. ENERGY: 2394800 4105.7728 20655.8587 14508.2948 250.7044 -203359.9930 2573.8981 0.0000 0.0000 52271.4009 -108994.0634 300.4045 -161265.4643 -108627.0428 299.9405 -43.7396 -12.6182 761633.6644 0.6163 0.7276 PRESSURE: 2395000 -153.552 234.82 -74.9177 234.82 -53.9515 87.0791 -74.9176 87.0776 -442.896 GPRESSURE: 2395000 -152.229 106.379 -63.4526 41.7259 -91.5211 20.3938 -7.59806 136.963 -331.207 PRESSAVG: 2395000 24.8658 -25.0229 -45.5965 -25.0228 2.36519 -29.4592 -45.5965 -29.4592 -7.75677 GPRESSAVG: 2395000 25.3157 -25.9502 -43.0342 -23.3693 1.56085 -28.8485 -45.8495 -28.4737 -7.54482 TIMING: 2395000 CPU: 7643.5, 0.00312947/step Wall: 7643.5, 0.00312947/step, 2.26452 hours remaining, 240.867188 MB of memory in use. ENERGY: 2395000 3906.4793 20695.3156 14542.2433 262.6820 -203460.0729 2827.9688 0.0000 0.0000 51754.2783 -109471.1057 297.4325 -161225.3840 -109112.3080 299.6929 -216.7998 -191.6523 762700.8384 6.4914 6.4439 PRESSURE: 2395200 110.41 -76.9627 -64.4487 -76.9627 160.904 8.55605 -64.4479 8.55565 381.871 GPRESSURE: 2395200 35.6264 -51.5942 -110.782 57.3352 291.073 50.7391 45.3552 -50.1231 413.464 PRESSAVG: 2395200 89.4276 -81.8018 9.10593 -81.8019 -14.2005 -58.0655 9.10593 -58.0656 0.836041 GPRESSAVG: 2395200 89.2711 -81.2865 7.29303 -80.319 -13.592 -58.8984 9.58776 -56.7219 0.894937 TIMING: 2395200 CPU: 7644.13, 0.00313633/step Wall: 7644.13, 0.00313633/step, 2.26931 hours remaining, 240.867188 MB of memory in use. ENERGY: 2395200 3971.0603 20431.3903 14576.1410 271.2769 -203873.4597 3207.5116 0.0000 0.0000 52082.3858 -109333.6938 299.3182 -161416.0797 -108975.3808 299.0095 217.7284 246.7213 761873.6003 25.3544 25.5247 PRESSURE: 2395400 -124.798 -8.5763 2.10569 -8.57664 -3.9582 219.655 2.10505 219.656 96.0561 GPRESSURE: 2395400 -42.2808 81.7372 -62.3674 -117.533 -15.2365 313.976 -36.2752 153.268 106.448 PRESSAVG: 2395400 3.10795 -32.5767 -1.03828 -32.5768 -8.1009 -33.2204 -1.03829 -33.2204 0.69676 GPRESSAVG: 2395400 3.23993 -31.2527 0.820129 -34.4575 -7.09133 -31.3087 -2.39861 -36.5874 0.268619 TIMING: 2395400 CPU: 7644.75, 0.00313638/step Wall: 7644.75, 0.00313638/step, 2.26917 hours remaining, 240.867188 MB of memory in use. ENERGY: 2395400 3928.1543 20560.4844 14465.7099 242.8652 -202763.4154 2366.3615 0.0000 0.0000 51956.7294 -109243.1107 298.5960 -161199.8401 -108859.8535 299.5114 -10.9000 16.3103 762699.4237 -1.4321 -1.1943 PRESSURE: 2395600 -241.102 11.5422 -246.917 11.5419 -58.4884 -177.107 -246.917 -177.107 -204.509 GPRESSURE: 2395600 -151.154 65.2075 -255.187 148.505 0.437723 -225.528 -252.533 -70.2627 -271.888 PRESSAVG: 2395600 -49.4048 -15.6914 -19.5359 -15.6914 54.5455 9.60988 -19.5359 9.60989 10.8862 GPRESSAVG: 2395600 -49.858 -15.5908 -20.2524 -15.4445 54.4346 8.52158 -18.3805 11.6949 10.2072 TIMING: 2395600 CPU: 7645.39, 0.00316011/step Wall: 7645.39, 0.00316011/step, 2.28616 hours remaining, 240.867188 MB of memory in use. ENERGY: 2395600 3953.3337 20452.5464 14519.6339 248.8331 -203140.3949 2403.3600 0.0000 0.0000 52251.8801 -109310.8077 300.2923 -161562.6878 -108953.2792 299.2629 -168.0329 -140.8678 761598.7764 5.3423 4.9279 PRESSURE: 2395800 -75.9102 -112.488 5.35021 -112.487 -219.725 -106.223 5.34935 -106.224 177.792 GPRESSURE: 2395800 -106.811 -124.702 28.4035 -54.6084 -88.3754 -109.638 47.3107 -174.841 169.721 PRESSAVG: 2395800 -2.37503 10.0165 -43.9638 10.0165 1.32535 3.93258 -43.9639 3.93257 0.794167 GPRESSAVG: 2395800 -1.15061 8.74313 -43.7714 9.70602 0.101407 5.30336 -45.8675 4.64271 0.512521 TIMING: 2395800 CPU: 7646.02, 0.00318711/step Wall: 7646.02, 0.00318711/step, 2.30552 hours remaining, 240.867188 MB of memory in use. ENERGY: 2395800 3970.7410 20498.6800 14539.5316 239.6404 -202866.6051 2455.7070 0.0000 0.0000 51966.5863 -109195.7189 298.6527 -161162.3052 -108838.2449 299.2331 -39.2810 -8.4886 762818.4039 -0.0852 -0.1789 PRESSURE: 2396000 50.282 126.176 49.547 126.175 -19.8398 156.056 49.5468 156.055 95.5933 GPRESSURE: 2396000 31.0555 198.615 41.8993 85.1841 -3.88876 149.338 -85.8268 159.432 160.813 PRESSAVG: 2396000 -52.4121 -49.4735 -5.68799 -49.4735 88.4124 -1.89029 -5.68801 -1.89036 -4.67917 GPRESSAVG: 2396000 -53.5107 -50.0258 -5.84046 -49.5411 88.7555 -4.11813 -3.39092 -1.12654 -4.11822 TIMING: 2396000 CPU: 7646.66, 0.00317779/step Wall: 7646.66, 0.00317779/step, 2.2986 hours remaining, 240.867188 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: 2396000 4012.4644 20408.7434 14480.1181 244.9928 -203052.4366 2454.3303 0.0000 0.0000 52072.2968 -109379.4908 299.2602 -161451.7876 -109011.3878 299.7093 42.0118 62.6601 763214.6638 10.4404 10.3755 PRESSURE: 2396200 -97.673 132.512 -192.392 132.512 131.445 157.467 -192.391 157.467 70.8552 GPRESSURE: 2396200 16.3365 127.369 -176.638 106.725 124.813 156.982 -123.509 76.9315 50.5335 PRESSAVG: 2396200 -91.5513 -0.754173 22.6482 -0.75415 79.9695 -15.6066 22.6482 -15.6066 2.95363 GPRESSAVG: 2396200 -90.3742 -0.464297 22.1172 -0.429652 79.7861 -15.8638 19.8217 -17.2029 1.89398 TIMING: 2396200 CPU: 7647.29, 0.00315961/step Wall: 7647.29, 0.00315961/step, 2.28528 hours remaining, 240.867188 MB of memory in use. ENERGY: 2396200 3861.9264 20548.3770 14488.9850 244.2644 -203798.8427 2842.2268 0.0000 0.0000 52301.4840 -109511.5790 300.5773 -161813.0630 -109145.8029 299.0794 34.8757 63.8945 760836.1781 -2.8761 -2.8980 LDB: ============= START OF LOAD BALANCING ============== 7659.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7659.74 LDB: =============== DONE WITH MIGRATION ================ 7659.74 LDB: ============= START OF LOAD BALANCING ============== 7660.06 LDB: Largest compute 7044 load 0.037511 is 19.2% of average load 0.195334 LDB: Average compute 0.004380 is 2.2% of average load 0.195334 LDB: TIME 7660.06 LOAD: AVG 0.195334 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 7660.06 LOAD: AVG 0.195334 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: TIME 7660.06 LOAD: AVG 0.195334 MAX 0.21346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: ============== END OF LOAD BALANCING =============== 7660.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7660.07 PRESSURE: 2396400 -50.9263 35.8675 -68.2032 35.869 -117.508 -93.2151 -68.2034 -93.2149 166.885 GPRESSURE: 2396400 -108.409 118.918 -40.9442 25.7362 -42.6128 -82.3887 -58.6462 -159.24 237.888 PRESSAVG: 2396400 -70.8152 17.0468 5.52474 17.0468 49.548 -13.708 5.52476 -13.708 6.16357 GPRESSAVG: 2396400 -73.0117 16.6909 5.27919 16.7883 49.9041 -13.1729 6.24636 -12.3866 7.51194 TIMING: 2396400 CPU: 7647.93, 0.00321068/step Wall: 7647.93, 0.00321067/step, 2.32203 hours remaining, 240.808594 MB of memory in use. ENERGY: 2396400 3868.3792 20682.7326 14469.6542 231.7593 -202992.9150 2251.0497 0.0000 0.0000 51921.9379 -109567.4022 298.3961 -161489.3401 -109200.4575 299.1763 -0.5161 28.9555 761606.4530 -5.0345 -5.1986 PRESSURE: 2396600 212.73 -236.427 147.727 -236.426 164.697 133.89 147.728 133.891 70.2572 GPRESSURE: 2396600 316.434 -177.284 29.5772 -293.429 131.657 64.7167 120.745 158.43 72.2331 PRESSAVG: 2396600 -41.2148 -59.0745 29.8522 -59.0745 41.8851 37.1015 29.8522 37.1015 11.0522 GPRESSAVG: 2396600 -38.2744 -58.5472 30.2077 -57.0211 40.5647 37.5468 29.7154 35.7235 8.77394 TIMING: 2396600 CPU: 7648.56, 0.00316081/step Wall: 7648.56, 0.00316081/step, 2.2858 hours remaining, 240.808594 MB of memory in use. ENERGY: 2396600 3916.0081 20402.5009 14513.0999 256.5656 -203488.4500 2587.5405 0.0000 0.0000 52248.5713 -109564.1637 300.2733 -161812.7350 -109202.7943 299.3668 149.2282 173.4415 758935.1582 3.9075 3.6881 PRESSURE: 2396800 87.6176 58.1567 19.4639 58.1561 -134.048 236.911 19.464 236.911 88.2206 GPRESSURE: 2396800 145.755 2.00356 -2.50509 8.61929 -94.4519 272.592 150.534 146.227 73.8775 PRESSAVG: 2396800 -9.40068 -48.8943 -36.8739 -48.8944 10.896 15.825 -36.8739 15.825 6.62508 GPRESSAVG: 2396800 -9.59175 -46.0986 -37.571 -52.4904 11.0516 16.0404 -35.1505 15.604 7.3311 TIMING: 2396800 CPU: 7649.2, 0.00315681/step Wall: 7649.2, 0.0031568/step, 2.28272 hours remaining, 240.808594 MB of memory in use. ENERGY: 2396800 3884.4051 20374.0249 14436.6356 231.4547 -203192.8986 2403.5129 0.0000 0.0000 52112.7197 -109750.1457 299.4925 -161862.8654 -109387.2638 299.1494 13.9301 41.7267 759257.9367 2.7068 2.9303 PRESSURE: 2397000 154.656 152.362 328.436 152.363 -523.885 133.682 328.435 133.682 -170.476 GPRESSURE: 2397000 126.637 92.1311 298.898 96.7571 -348.483 168.019 216.131 174.087 -205.31 PRESSAVG: 2397000 -16.8208 -6.96781 -19.2534 -6.96783 34.7927 10.3328 -19.2535 10.3329 -13.4485 GPRESSAVG: 2397000 -18.0549 -9.0366 -18.2174 -3.79962 35.9381 10.2396 -18.7013 8.93243 -13.4218 TIMING: 2397000 CPU: 7649.83, 0.00314582/step Wall: 7649.83, 0.00314582/step, 2.2746 hours remaining, 240.808594 MB of memory in use. ENERGY: 2397000 4006.0285 20405.4212 14403.3063 241.3803 -203096.3400 2253.4725 0.0000 0.0000 52086.3309 -109700.4003 299.3409 -161786.7311 -109339.3446 299.0681 -179.9015 -142.3852 760535.2280 1.5078 1.4871 PRESSURE: 2397200 -31.3216 43.7118 95.2842 43.7115 -166.957 -25.3535 95.284 -25.3533 -109.044 GPRESSURE: 2397200 67.9741 97.7952 51.6227 141.301 -194.94 -62.9402 88.0327 0.840061 -87.8294 PRESSAVG: 2397200 4.93983 48.154 1.3074 48.154 -30.4228 2.86351 1.30738 2.86352 18.9206 GPRESSAVG: 2397200 5.85923 49.7561 0.714027 44.93 -31.4646 3.73697 1.5914 3.43206 18.8367 TIMING: 2397200 CPU: 7650.45, 0.0031363/step Wall: 7650.45, 0.0031363/step, 2.26755 hours remaining, 240.808594 MB of memory in use. ENERGY: 2397200 4026.4499 20563.4447 14520.5373 243.3167 -203429.5838 2603.0506 0.0000 0.0000 51687.6580 -109785.1266 297.0497 -161472.7846 -109425.2836 298.8424 -102.4411 -71.5985 760589.1930 -2.1875 -2.2562 PRESSURE: 2397400 -123.156 -218.796 39.1932 -218.796 -29.3727 -81.1186 39.1928 -81.1182 41.6751 GPRESSURE: 2397400 6.02785 -129.5 -18.1946 -176.811 -42.3622 -93.3362 -37.2766 -66.9281 -0.566547 PRESSAVG: 2397400 4.43722 41.8039 15.8215 41.8039 -13.8632 -7.9627 15.8215 -7.9627 -0.356896 GPRESSAVG: 2397400 5.36958 40.6233 14.7147 45.0481 -14.6631 -9.20711 14.0776 -7.27187 -0.964355 TIMING: 2397400 CPU: 7651.08, 0.00315013/step Wall: 7651.08, 0.00315013/step, 2.27737 hours remaining, 240.808594 MB of memory in use. ENERGY: 2397400 3944.1246 20652.7280 14461.2004 246.4469 -203958.9025 2700.5146 0.0000 0.0000 52041.1989 -109912.6891 299.0815 -161953.8880 -109550.9264 298.5829 -36.9513 -12.3003 759716.9861 -3.2610 -3.4193 PRESSURE: 2397600 145.143 3.72607 125.413 3.72652 161.89 171.844 125.412 171.844 -104.643 GPRESSURE: 2397600 116.457 -93.8108 111.906 -12.815 211.493 135.704 142.826 288.413 -46.5435 PRESSAVG: 2397600 -0.0845222 22.5436 -23.2899 22.5436 36.29 -14.195 -23.29 -14.195 4.32195 GPRESSAVG: 2397600 -2.79726 22.6413 -22.6607 18.475 37.4869 -14.8702 -21.9303 -14.8288 5.62035 TIMING: 2397600 CPU: 7651.71, 0.00315152/step Wall: 7651.71, 0.00315152/step, 2.2782 hours remaining, 240.808594 MB of memory in use. ENERGY: 2397600 3981.7566 20326.5701 14437.5384 253.5533 -203832.3614 2738.9604 0.0000 0.0000 52041.8534 -110052.1292 299.0852 -162093.9826 -109690.9709 298.4149 67.4631 93.8019 759497.2999 13.5091 13.4367 PRESSURE: 2397800 -303.867 -172.03 -20.8326 -172.03 52.4902 -41.6087 -20.8334 -41.6081 -524.91 GPRESSURE: 2397800 -165.888 -97.4008 -19.9108 -95.3368 -0.503515 18.3352 -52.9844 -162.881 -510.56 PRESSAVG: 2397800 18.073 -29.4645 -34.6226 -29.4645 -15.2652 5.39797 -34.6227 5.39787 -12.32 GPRESSAVG: 2397800 19.2332 -31.3707 -35.4208 -28.6351 -16.1024 5.06983 -35.2768 7.08536 -12.9839 TIMING: 2397800 CPU: 7652.34, 0.00314512/step Wall: 7652.34, 0.00314512/step, 2.2734 hours remaining, 240.808594 MB of memory in use. ENERGY: 2397800 4001.4626 20355.9517 14455.6175 241.6217 -203249.7047 2295.8319 0.0000 0.0000 51938.2159 -109961.0034 298.4896 -161899.2193 -109594.4323 298.1865 -258.7624 -225.6508 761775.7082 -3.1707 -3.2843 PRESSURE: 2398000 -59.8151 38.9334 -48.1368 38.9335 -19.9895 85.1913 -48.1374 85.1925 -0.0695307 GPRESSURE: 2398000 22.6156 78.1082 -56.6518 -31.8249 -23.0643 46.4968 -173.71 247.544 16.1312 PRESSAVG: 2398000 36.2126 -3.14429 -98.6617 -3.14431 -81.6585 20.9592 -98.6618 20.9591 -8.05303 GPRESSAVG: 2398000 36.0766 -2.16583 -98.2354 -2.02188 -82.0613 21.9918 -97.4892 19.4079 -7.56506 TIMING: 2398000 CPU: 7652.98, 0.0031737/step Wall: 7652.98, 0.0031737/step, 2.29388 hours remaining, 240.808594 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: 2398000 3980.8965 20365.5968 14479.6804 242.8039 -203465.0543 2625.4305 0.0000 0.0000 51921.4656 -109849.1806 298.3934 -161770.6462 -109487.9544 298.2093 -26.6247 5.2275 762508.7101 -17.8330 -17.8499 PRESSURE: 2398200 68.495 230.498 295.406 230.498 -456.291 -20.6634 295.406 -20.6623 -286.102 GPRESSURE: 2398200 -16.4177 192.149 351.385 190.899 -426.484 -75.0598 162.007 76.3486 -134.613 PRESSAVG: 2398200 24.2207 13.4458 19.2458 13.4457 -62.1574 -11.4352 19.2458 -11.4351 4.97311 GPRESSAVG: 2398200 23.4392 13.7052 19.8568 12.3495 -62.089 -11.5161 16.6166 -10.8898 5.7514 TIMING: 2398200 CPU: 7653.61, 0.00314853/step Wall: 7653.61, 0.00314853/step, 2.27551 hours remaining, 240.808594 MB of memory in use. ENERGY: 2398200 3986.7501 20411.0964 14454.6279 254.9890 -203216.4529 2363.5588 0.0000 0.0000 52031.7729 -109713.6576 299.0273 -161745.4305 -109355.5731 298.6038 -224.6328 -192.5050 762160.3788 -10.9879 -10.9661 PRESSURE: 2398400 -231.497 -185.803 64.4927 -185.803 39.4942 -102.921 64.4934 -102.921 -515.051 GPRESSURE: 2398400 -135.421 -106.518 73.4886 -145.721 41.8527 -136.894 51.6694 -84.8448 -499.463 PRESSAVG: 2398400 12.3151 -2.39187 21.6707 -2.39189 13.6618 -3.74999 21.6707 -3.75003 -9.96881 GPRESSAVG: 2398400 12.2069 -2.18314 23.0096 -3.19693 14.3919 -3.5206 22.3625 -3.4223 -11.1365 TIMING: 2398400 CPU: 7654.23, 0.00313737/step Wall: 7654.23, 0.00313737/step, 2.26727 hours remaining, 240.808594 MB of memory in use. ENERGY: 2398400 4014.2704 20501.9284 14511.5328 249.2979 -203406.5037 2446.6504 0.0000 0.0000 52091.9402 -109590.8834 299.3731 -161682.8236 -109227.5106 299.1798 -235.6847 -197.6770 761513.4318 5.3360 5.1541 PRESSURE: 2398600 -74.5289 129.068 7.59331 129.069 -246.761 -25.3586 7.59422 -25.3576 100.134 GPRESSURE: 2398600 -79.3152 64.8045 -68.7282 32.259 -169.103 -21.4179 -51.7135 -47.375 103.805 PRESSAVG: 2398600 12.6409 -68.3749 -4.11473 -68.3749 8.96922 -28.9351 -4.11468 -28.9351 -1.2049 GPRESSAVG: 2398600 13.52 -68.8965 -5.25973 -68.1558 8.63455 -29.3029 -2.0684 -30.2145 -1.62876 TIMING: 2398600 CPU: 7654.86, 0.00315108/step Wall: 7654.86, 0.00315108/step, 2.27701 hours remaining, 240.808594 MB of memory in use. ENERGY: 2398600 4014.7000 20458.7100 14428.4839 252.9217 -203282.9527 2382.4168 0.0000 0.0000 52151.3296 -109594.3907 299.7144 -161745.7203 -109233.4161 299.0648 -73.7186 -48.2042 762048.5659 6.8017 6.8419 PRESSURE: 2398800 -144.701 -18.6254 -230.353 -18.6258 -210.976 188.563 -230.354 188.564 -88.9979 GPRESSURE: 2398800 -167.767 -64.6608 -215.921 13.4381 -161.7 177.424 -126.414 198.851 -42.5918 PRESSAVG: 2398800 53.5523 -54.6237 -23.768 -54.6237 -3.26172 11.7056 -23.768 11.7056 6.67628 GPRESSAVG: 2398800 52.5952 -55.0442 -22.8358 -53.8745 -3.94758 12.8761 -24.301 13.0939 7.14093 TIMING: 2398800 CPU: 7655.49, 0.00314263/step Wall: 7655.49, 0.00314263/step, 2.27072 hours remaining, 240.808594 MB of memory in use. ENERGY: 2398800 4027.3372 20572.7602 14486.8646 263.4904 -203052.9607 2410.7850 0.0000 0.0000 52027.9697 -109263.7535 299.0055 -161291.7232 -108901.7365 298.9502 -148.2249 -124.0196 762213.9399 18.9889 18.5962 PRESSURE: 2399000 -265.278 6.14584 -40.0449 6.14615 -486.555 148.563 -40.0442 148.563 -54.423 GPRESSURE: 2399000 -216.296 9.61262 -109.789 -86.5466 -398.84 104.484 53.0207 59.7614 -121.413 PRESSAVG: 2399000 0.288322 -24.8948 -42.1266 -24.8948 16.1473 12.0262 -42.1266 12.0262 -0.897897 GPRESSAVG: 2399000 0.0851622 -25.4124 -43.2773 -20.8098 15.6551 11.468 -41.2535 10.793 -0.752713 TIMING: 2399000 CPU: 7656.12, 0.00315154/step Wall: 7656.12, 0.00315154/step, 2.27699 hours remaining, 240.808594 MB of memory in use. ENERGY: 2399000 3950.5488 20581.0684 14461.8240 274.0070 -203057.6886 2478.6869 0.0000 0.0000 52098.2250 -109213.3284 299.4092 -161311.5534 -108847.9686 299.3036 -268.7520 -245.5164 762464.9588 5.1792 4.9958 PRESSURE: 2399200 -267.86 -111.532 78.8791 -111.532 -259.662 40.0526 78.8792 40.0526 128.456 GPRESSURE: 2399200 -218.292 -152.843 165.207 -150.148 -177.939 78.663 -20.4454 28.4907 61.6235 PRESSAVG: 2399200 -16.7175 -14.6101 27.1712 -14.6101 12.4888 -10.5021 27.1712 -10.502 -10.875 GPRESSAVG: 2399200 -15.4477 -11.4006 28.8746 -19.7778 12.6074 -9.48164 24.5123 -9.38257 -12.3486 TIMING: 2399200 CPU: 7656.75, 0.00315593/step Wall: 7656.75, 0.00315592/step, 2.27998 hours remaining, 240.808594 MB of memory in use. ENERGY: 2399200 3967.8793 20419.9829 14492.7388 261.7520 -202806.4818 2216.8448 0.0000 0.0000 52117.1692 -109330.1147 299.5181 -161447.2839 -108967.2950 299.4642 -133.0219 -111.5359 762873.5327 -5.0346 -5.0629 PRESSURE: 2399400 -388.899 -136.705 79.7178 -136.705 -421.946 -36.7701 79.7169 -36.7704 77.9727 GPRESSURE: 2399400 -425.694 -234.369 93.4373 -65.0937 -351.105 -46.4064 -62.4555 -12.4414 126.603 PRESSAVG: 2399400 -1.71844 -63.8338 -10.0176 -63.8338 26.564 -16.8478 -10.0176 -16.8478 3.50322 GPRESSAVG: 2399400 -3.35962 -63.1379 -10.2295 -62.8681 27.627 -16.4475 -9.71304 -18.1198 3.80241 TIMING: 2399400 CPU: 7657.38, 0.00313346/step Wall: 7657.38, 0.00313346/step, 2.26358 hours remaining, 240.808594 MB of memory in use. ENERGY: 2399400 3994.1601 20673.5857 14442.3167 245.2464 -202738.5485 2156.4056 0.0000 0.0000 52071.5908 -109155.2432 299.2561 -161226.8340 -108792.2407 299.3078 -244.2906 -216.7319 763349.1284 9.4496 9.3566 PRESSURE: 2399600 69.7484 -210.502 -467.927 -210.501 -76.356 107.612 -467.927 107.611 564.185 GPRESSURE: 2399600 196.506 -182.02 -424.344 -159.116 -4.23212 60.5024 -401.332 147.807 469.058 PRESSAVG: 2399600 31.1056 -14.2976 64.8648 -14.2977 -20.4479 -10.8791 64.8648 -10.8791 0.707904 GPRESSAVG: 2399600 31.5692 -16.6859 65.1743 -13.7307 -20.1704 -12.1341 63.7533 -10.1706 -0.121891 TIMING: 2399600 CPU: 7658.01, 0.00314485/step Wall: 7658.01, 0.00314485/step, 2.27163 hours remaining, 240.808594 MB of memory in use. ENERGY: 2399600 4008.2429 20506.0770 14511.2560 287.4225 -203022.5766 2499.3769 0.0000 0.0000 52191.0075 -109019.1939 299.9424 -161210.2013 -108662.7280 299.6052 185.8592 220.4440 761668.4961 3.7885 3.7589 PRESSURE: 2399800 41.3816 -67.544 -6.30485 -67.5439 74.1811 192.984 -6.30529 192.984 77.4137 GPRESSURE: 2399800 53.1201 -67.4404 110.742 -3.282 64.5566 313.665 -49.4682 54.499 159.214 PRESSAVG: 2399800 9.80814 -29.8326 10.1878 -29.8326 33.3973 66.2323 10.1878 66.2323 2.05034 GPRESSAVG: 2399800 8.89341 -30.5302 7.2756 -28.1337 32.1166 67.8365 13.364 64.5591 3.82959 TIMING: 2399800 CPU: 7658.64, 0.00313332/step Wall: 7658.64, 0.00313332/step, 2.26313 hours remaining, 240.808594 MB of memory in use. ENERGY: 2399800 3971.5583 20632.2376 14520.1291 243.3974 -203070.1825 2761.5624 0.0000 0.0000 51856.7684 -109084.5293 298.0216 -160941.2977 -108721.2506 299.8380 64.3255 92.2970 760827.2057 15.0853 14.9465 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400000 -2.55158 44.1013 -149.806 44.1014 -384.12 51.9768 -149.806 51.9761 -127.206 GPRESSURE: 2400000 -11.5257 10.546 -95.5412 -50.38 -392.713 163.123 -145.31 -28.1389 -33.243 PRESSAVG: 2400000 -15.5494 -0.250354 -41.9025 -0.250311 22.0571 -0.229215 -41.9024 -0.22924 -5.5679 GPRESSAVG: 2400000 -14.1938 -0.512221 -39.6431 -0.422703 21.593 -0.727602 -43.0685 1.6916 -5.95404 TIMING: 2400000 CPU: 7659.29, 0.00325567/step Wall: 7659.29, 0.00325567/step, 2.35132 hours remaining, 240.933594 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: 2400000 4082.1490 20685.0727 14438.9934 243.6483 -203130.6365 2424.8134 0.0000 0.0000 52149.5292 -109106.4304 299.7041 -161255.9596 -108743.6099 299.8389 -171.2926 -145.8272 761137.7009 0.3133 0.4817 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 PRESSURE: 2400200 -335.95 167.405 -30.9439 167.405 105.295 -241.195 -30.9441 -241.196 -224.818 GPRESSURE: 2400200 -249.38 212.763 -86.8243 136.018 184.067 -184.014 -89.9069 -264.776 -302.138 PRESSAVG: 2400200 -26.7151 6.43736 12.4803 6.43735 63.9429 22.0044 12.4803 22.0044 -11.999 GPRESSAVG: 2400200 -26.4455 9.40474 12.0103 3.28375 64.5753 21.1129 11.6024 22.2088 -12.2857 TIMING: 2400200 CPU: 7659.92, 0.00316956/step Wall: 7659.92, 0.00316956/step, 2.28895 hours remaining, 240.933594 MB of memory in use. ENERGY: 2400200 4046.7575 20385.9886 14578.5267 227.7255 -202748.5580 2392.0904 0.0000 0.0000 52065.3485 -109052.1207 299.2203 -161117.4692 -108684.5059 299.8733 -151.8243 -122.4837 760803.6292 8.4096 8.6147 LDB: ============= START OF LOAD BALANCING ============== 7672.37 LDB: ============== END OF LOAD BALANCING =============== 7672.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7672.38 LDB: ============= START OF LOAD BALANCING ============== 7672.69 LDB: Largest compute 7032 load 0.035616 is 18.2% of average load 0.195412 LDB: Average compute 0.004376 is 2.2% of average load 0.195412 LDB: TIME 7672.69 LOAD: AVG 0.195412 MAX 0.21391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 7672.69 LOAD: AVG 0.195412 MAX 0.21391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.445 MB LDB: TIME 7672.69 LOAD: AVG 0.195412 MAX 0.21391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.445 MB LDB: ============== END OF LOAD BALANCING =============== 7672.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7672.7 PRESSURE: 2400400 -294.051 -197.406 -78.8594 -197.406 -180.598 273.056 -78.8591 273.056 -209.739 GPRESSURE: 2400400 -200.716 -52.9728 27.7137 -199.004 -173.093 254.822 -54.0623 333.311 -225.605 PRESSAVG: 2400400 -61.9165 3.36984 13.3323 3.36986 34.4921 5.59611 13.3323 5.59613 3.86419 GPRESSAVG: 2400400 -62.7038 1.63631 12.3252 6.03245 35.177 6.1965 15.4607 6.51752 3.68441 TIMING: 2400400 CPU: 7660.57, 0.00321973/step Wall: 7660.57, 0.00321973/step, 2.325 hours remaining, 241.640625 MB of memory in use. ENERGY: 2400400 3957.7591 20555.2952 14467.8371 230.2249 -202984.5632 2212.8502 0.0000 0.0000 52305.7581 -109254.8386 300.6019 -161560.5967 -108886.1673 299.9840 -228.1295 -199.8047 761844.8030 -7.8534 -7.9475 PRESSURE: 2400600 -44.2081 235.35 7.9221 235.35 -84.8984 188.461 7.92177 188.461 -69.2553 GPRESSURE: 2400600 -10.4412 210.818 -74.7133 153.481 -69.054 303.724 -24.8636 9.50451 -17.8568 PRESSAVG: 2400600 8.43311 29.1588 -11.9364 29.1587 39.897 30.4165 -11.9364 30.4164 21.7528 GPRESSAVG: 2400600 7.66443 31.2848 -10.4074 27.5695 39.2047 30.6789 -13.2986 29.902 23.2008 TIMING: 2400600 CPU: 7661.19, 0.00312941/step Wall: 7661.19, 0.00312941/step, 2.25961 hours remaining, 241.710938 MB of memory in use. ENERGY: 2400600 3922.8968 20572.1440 14419.1701 231.0191 -202994.8643 2252.7628 0.0000 0.0000 52277.3847 -109319.4866 300.4388 -161596.8714 -108949.7296 300.0177 -66.1206 -32.4507 760925.0439 23.3610 23.3566 PRESSURE: 2400800 77.4206 98.7914 135.665 98.7916 -230.932 -29.9592 135.665 -29.9606 26.8755 GPRESSURE: 2400800 177.052 104.341 152.638 100.454 -214.806 -127.215 69.4097 43.0551 7.6737 PRESSAVG: 2400800 39.6196 15.3507 -25.2962 15.3508 -22.3653 43.9849 -25.2963 43.9849 0.0461557 GPRESSAVG: 2400800 41.2382 15.6052 -25.0997 15.5467 -22.596 44.3544 -25.8132 42.0318 -1.77107 TIMING: 2400800 CPU: 7661.81, 0.00311743/step Wall: 7661.81, 0.00311743/step, 2.25079 hours remaining, 241.710938 MB of memory in use. ENERGY: 2400800 4002.2247 20409.7295 14496.1228 248.8398 -202975.0791 2372.2866 0.0000 0.0000 51988.8231 -109457.0526 298.7805 -161445.8757 -109093.2281 299.7551 -42.2119 -10.0266 761210.1822 5.7668 5.6237 PRESSURE: 2401000 -242.232 28.8003 -182.742 28.8016 53.251 55.5351 -182.742 55.5364 363.334 GPRESSURE: 2401000 -147.289 40.3341 -191.611 -7.77683 41.052 67.8817 -134.881 120.745 368.619 PRESSAVG: 2401000 23.52 -22.9971 -5.99396 -22.9972 -50.1883 27.7959 -5.99398 27.796 -27.501 GPRESSAVG: 2401000 22.263 -23.5002 -7.61972 -23.1668 -50.7962 27.3429 -4.92824 29.2527 -25.8226 TIMING: 2401000 CPU: 7662.44, 0.00314932/step Wall: 7662.44, 0.00314932/step, 2.27363 hours remaining, 241.710938 MB of memory in use. ENERGY: 2401000 4032.5086 20491.7860 14581.7905 248.2781 -203717.5575 2732.2873 0.0000 0.0000 52244.3444 -109386.5626 300.2490 -161630.9069 -109014.0012 299.4412 58.1178 87.4608 758883.6045 -18.0565 -18.1186 PRESSURE: 2401200 256.99 -4.84401 106.708 -4.84437 -86.6549 205.611 106.709 205.611 198.542 GPRESSURE: 2401200 258.762 19.4411 92.9811 -34.1835 46.9813 188.516 57.4307 110.465 171.566 PRESSAVG: 2401200 -6.98822 -66.886 2.32623 -66.886 19.0208 7.58002 2.3262 7.58003 5.81514 GPRESSAVG: 2401200 -5.38882 -67.8342 4.00025 -67.7542 18.841 6.9047 2.36481 8.64271 5.09166 TIMING: 2401200 CPU: 7663.07, 0.00313683/step Wall: 7663.07, 0.00313683/step, 2.26444 hours remaining, 241.710938 MB of memory in use. ENERGY: 2401200 4014.2685 20369.1505 14470.5934 256.6425 -203038.1730 2324.1989 0.0000 0.0000 52255.6991 -109347.6200 300.3142 -161603.3191 -108970.0568 299.6203 122.9592 159.1030 760026.3376 5.9492 6.1813 PRESSURE: 2401400 46.0254 -118.614 -194.461 -118.616 48.9301 125.987 -194.461 125.986 -84.3045 GPRESSURE: 2401400 119.366 -104.492 -238.076 -7.18675 33.3756 174.382 -105.345 -54.2257 -55.035 PRESSAVG: 2401400 14.6332 -45.5565 -13.7678 -45.5565 16.0513 4.74441 -13.7679 4.74429 5.1162 GPRESSAVG: 2401400 14.4317 -45.7764 -13.762 -42.1661 17.0615 6.32617 -14.6447 4.23234 4.42477 TIMING: 2401400 CPU: 7663.7, 0.0031296/step Wall: 7663.7, 0.0031296/step, 2.25905 hours remaining, 241.710938 MB of memory in use. ENERGY: 2401400 4036.9244 20575.2676 14473.6295 252.3868 -203216.4954 2197.9511 0.0000 0.0000 52011.2198 -109669.1163 298.9092 -161680.3361 -109313.0320 299.2369 3.5503 32.5690 760495.1501 11.9336 11.9727 PRESSURE: 2401600 234.249 -201.528 -122.003 -201.528 114.767 -95.7198 -122.004 -95.7189 -92.6531 GPRESSURE: 2401600 209.852 -135.434 -3.31514 -174.031 65.5164 -74.972 -65.8653 -75.6969 76.6974 PRESSAVG: 2401600 6.9678 -42.976 5.30125 -42.976 1.49962 -56.191 5.30125 -56.191 -10.8468 GPRESSAVG: 2401600 6.52092 -43.9021 5.58662 -43.6409 1.58643 -57.613 5.7544 -57.8381 -10.7245 TIMING: 2401600 CPU: 7664.33, 0.00314291/step Wall: 7664.33, 0.00314291/step, 2.26849 hours remaining, 241.710938 MB of memory in use. ENERGY: 2401600 3940.7553 20430.3942 14451.1660 275.9359 -203033.4096 2336.2942 0.0000 0.0000 52090.7173 -109508.1468 299.3661 -161598.8641 -109155.2348 299.3268 85.4544 117.3553 761250.1579 -0.7931 -0.8724 PRESSURE: 2401800 -504.628 -28.2026 64.3586 -28.2018 -120.384 2.62234 64.3595 2.62199 -1.82716 GPRESSURE: 2401800 -321.161 36.215 59.4544 -14.4209 -173.245 81.2638 -6.483 -54.6588 -23.104 PRESSAVG: 2401800 -4.97698 -85.0436 -31.1939 -85.0436 -17.9442 16.4838 -31.194 16.4838 -4.56876 GPRESSAVG: 2401800 -3.29561 -84.6414 -32.7544 -84.368 -19.4408 17.0231 -31.5636 18.7083 -5.10149 TIMING: 2401800 CPU: 7664.96, 0.00314966/step Wall: 7664.96, 0.00314966/step, 2.27318 hours remaining, 241.710938 MB of memory in use. ENERGY: 2401800 3925.1798 20449.8657 14479.9331 239.6303 -203043.8225 2458.3906 0.0000 0.0000 52213.4167 -109277.4062 300.0712 -161490.8229 -108915.7728 299.2354 -208.9464 -172.5033 761639.0094 -9.1633 -9.2793 PRESSURE: 2402000 -26.3917 -92.7292 68.5757 -92.7294 -171.069 156.525 68.5764 156.525 -142.011 GPRESSURE: 2402000 -9.00883 -76.8586 -72.8934 -34.9259 -81.3188 194.207 78.1825 148.95 -165.678 PRESSAVG: 2402000 33.2861 -34.1192 41.899 -34.1193 -13.0874 13.9414 41.899 13.9413 19.9371 GPRESSAVG: 2402000 31.1184 -32.9991 41.5818 -34.5034 -11.1456 16.1886 42.5955 13.8317 19.9462 TIMING: 2402000 CPU: 7665.59, 0.00314886/step Wall: 7665.59, 0.00314886/step, 2.27243 hours remaining, 241.710938 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: 2402000 3956.1254 20499.5929 14467.1446 242.1176 -202874.9363 2088.9053 0.0000 0.0000 52154.0389 -109467.0117 299.7300 -161621.0506 -109102.0192 299.5216 -113.1572 -85.3353 759266.3869 13.3786 13.3063 PRESSURE: 2402200 -76.5262 113.661 173.358 113.661 -136.161 176.57 173.356 176.57 44.0105 GPRESSURE: 2402200 -63.1818 91.3817 252.731 175.983 -135.729 190.393 205.765 72.8836 114.208 PRESSAVG: 2402200 27.6213 -16.3633 21.4879 -16.3633 23.9281 39.1783 21.4879 39.1783 9.51856 GPRESSAVG: 2402200 29.6133 -16.5036 22.396 -16.0152 22.166 36.6643 20.5286 40.236 9.86324 TIMING: 2402200 CPU: 7666.22, 0.00315879/step Wall: 7666.22, 0.00315879/step, 2.27942 hours remaining, 241.710938 MB of memory in use. ENERGY: 2402200 4045.8655 20498.1532 14493.6112 254.2217 -203318.8412 2581.3784 0.0000 0.0000 52149.8713 -109295.7400 299.7060 -161445.6113 -108936.5224 299.4255 -56.2256 -28.2345 762355.0981 20.3560 20.5475 PRESSURE: 2402400 345.389 115.959 201.538 115.96 255.409 229.459 201.538 229.459 239.89 GPRESSURE: 2402400 383.739 91.8006 184.411 90.6478 329.881 220.72 188.406 274.159 213.821 PRESSAVG: 2402400 22.96 -23.6117 42.1818 -23.6117 -31.7575 -16.319 42.1817 -16.319 35.558 GPRESSAVG: 2402400 22.3661 -23.4847 42.5298 -25.3323 -31.3346 -13.2864 41.6826 -19.4006 35.6223 TIMING: 2402400 CPU: 7666.85, 0.00318019/step Wall: 7666.85, 0.00318019/step, 2.29468 hours remaining, 241.710938 MB of memory in use. ENERGY: 2402400 4072.1456 20625.9811 14491.5465 243.0027 -203141.0831 2478.6653 0.0000 0.0000 52159.0676 -109070.6741 299.7589 -161229.7418 -108718.7049 300.2883 280.2295 309.1469 761330.5057 8.9202 8.8846 PRESSURE: 2402600 -305.462 36.5129 -23.5449 36.5133 -245.446 -111.386 -23.545 -111.385 6.41004 GPRESSURE: 2402600 -329.381 -17.9646 -52.5932 46.2178 -156.513 -101.175 57.2473 -170.336 37.4657 PRESSAVG: 2402600 12.1957 12.3059 31.5064 12.3059 -65.7227 12.3479 31.5065 12.3479 -9.24289 GPRESSAVG: 2402600 11.6453 13.7762 30.4167 11.2392 -64.6807 9.63703 34.3644 16.032 -9.4347 TIMING: 2402600 CPU: 7667.48, 0.00313879/step Wall: 7667.48, 0.00313879/step, 2.26464 hours remaining, 241.710938 MB of memory in use. ENERGY: 2402600 3988.1889 20481.7847 14496.6920 242.9015 -202795.7539 2214.2802 0.0000 0.0000 52336.7423 -109035.1643 300.7800 -161371.9066 -108671.7724 300.2576 -181.4990 -149.4762 763816.7973 -20.9233 -20.8234 PRESSURE: 2402800 115.124 -82.1222 -227.733 -82.1225 185.644 -148.821 -227.733 -148.82 -233.206 GPRESSURE: 2402800 70.144 27.6601 -221.024 54.2464 205.631 -228.954 -197.641 -213.295 -140.812 PRESSAVG: 2402800 73.6049 0.397131 8.34715 0.397102 -0.560056 14.2769 8.34718 14.2769 -3.3416 GPRESSAVG: 2402800 74.8915 -0.0493923 8.6454 2.17024 -1.25167 15.9636 7.60497 12.4018 -3.42487 TIMING: 2402800 CPU: 7668.11, 0.00315024/step Wall: 7668.11, 0.00315024/step, 2.27272 hours remaining, 241.710938 MB of memory in use. ENERGY: 2402800 4075.5205 20549.1883 14456.3502 273.6745 -203139.5487 2632.6282 0.0000 0.0000 52168.1166 -108984.0705 299.8109 -161152.1871 -108611.5916 300.3387 22.5207 44.9876 760406.2965 23.2344 23.4050 PRESSURE: 2403000 -312.503 113.523 23.8245 113.522 -453.29 13.7963 23.8239 13.7959 -185.655 GPRESSURE: 2403000 -326.105 150.306 25.3542 76.3091 -365.947 2.00756 38.8616 9.78025 -148.723 PRESSAVG: 2403000 32.3629 -11.5083 -31.2699 -11.5083 -35.2139 -26.8831 -31.27 -26.8831 -9.13924 GPRESSAVG: 2403000 33.1394 -13.0462 -29.7538 -11.7957 -35.0672 -28.2121 -33.6645 -26.4328 -9.59485 TIMING: 2403000 CPU: 7668.75, 0.00316963/step Wall: 7668.75, 0.00316963/step, 2.28654 hours remaining, 241.710938 MB of memory in use. ENERGY: 2403000 4051.8748 20561.0776 14479.8763 250.6142 -202750.9649 2250.1581 0.0000 0.0000 52186.3036 -108971.0603 299.9154 -161157.3639 -108604.2150 300.6127 -317.1492 -280.2583 761968.6446 -3.9967 -3.8409 PRESSURE: 2403200 -112.193 119.458 153.129 119.459 -65.5617 173.687 153.129 173.686 0.410251 GPRESSURE: 2403200 -16.4073 84.6491 148.983 38.3332 -51.776 192.569 102.35 201.794 -26.8301 PRESSAVG: 2403200 -4.31038 -16.7055 3.31584 -16.7055 -21.023 5.52298 3.31583 5.52307 -3.1047 GPRESSAVG: 2403200 -5.71979 -15.8531 1.31712 -16.2919 -20.3658 5.88493 3.82335 5.65089 -2.38185 TIMING: 2403200 CPU: 7669.38, 0.00317084/step Wall: 7669.38, 0.00317084/step, 2.28723 hours remaining, 241.710938 MB of memory in use. ENERGY: 2403200 4054.1393 20596.6060 14493.9216 239.9816 -203271.5038 2676.7846 0.0000 0.0000 52439.3132 -108770.7575 301.3695 -161210.0707 -108409.7199 300.5333 -59.1149 -31.6711 761495.1553 -9.4794 -9.4892 PRESSURE: 2403400 -457.821 6.1243 -110.335 6.12376 -369.23 61.9848 -110.335 61.984 -175.965 GPRESSURE: 2403400 -430.121 25.0835 -75.8463 0.484209 -292.979 164.771 7.42717 29.2695 -172.69 PRESSAVG: 2403400 1.51743 -9.22055 10.7489 -9.22049 -29.3603 15.3558 10.7488 15.3557 -11.8447 GPRESSAVG: 2403400 2.16872 -8.33191 10.2792 -11.2144 -30.0635 16.7658 11.5933 15.2397 -11.9198 TIMING: 2403400 CPU: 7670.01, 0.00316314/step Wall: 7670.01, 0.00316314/step, 2.28151 hours remaining, 241.710938 MB of memory in use. ENERGY: 2403400 3985.5553 20653.0059 14520.8422 243.6161 -203107.7962 2384.9149 0.0000 0.0000 52180.5765 -109139.2852 299.8825 -161319.8617 -108773.6678 300.2538 -334.3388 -298.5965 761509.5478 -13.2292 -13.2715 PRESSURE: 2403600 184.794 -56.3819 23.8295 -56.3819 40.3511 -81.6749 23.8298 -81.6749 -84.0286 GPRESSURE: 2403600 180.728 -110.193 -15.6505 -43.9523 49.8818 -94.3455 54.7362 79.0839 -10.1706 PRESSAVG: 2403600 8.06387 29.1227 33.6228 29.1227 -3.56035 -24.9816 33.6228 -24.9815 6.15072 GPRESSAVG: 2403600 7.37316 26.2733 33.4707 31.0501 -2.45749 -26.1826 34.9713 -21.0791 5.92277 TIMING: 2403600 CPU: 7670.64, 0.00314348/step Wall: 7670.64, 0.00314348/step, 2.26715 hours remaining, 241.710938 MB of memory in use. ENERGY: 2403600 3973.6320 20549.6109 14378.4255 252.7859 -202946.0373 2344.1727 0.0000 0.0000 52310.4953 -109136.9150 300.6291 -161447.4103 -108770.1608 300.2099 47.0388 73.4797 762065.5240 3.5514 3.6128 PRESSURE: 2403800 126.474 -65.2571 237.127 -65.2567 -81.3816 100.222 237.128 100.222 -68.3179 GPRESSURE: 2403800 72.5818 -48.0135 224.678 72.6785 14.4259 46.43 175.852 103.637 -20.9993 PRESSAVG: 2403800 -34.8431 -1.12411 20.8827 -1.12406 -4.41226 43.1856 20.8827 43.1857 13.8616 GPRESSAVG: 2403800 -35.3024 -0.118418 23.3952 -1.71147 -3.59674 43.577 19.9058 40.6028 13.3481 TIMING: 2403800 CPU: 7671.27, 0.00314504/step Wall: 7671.27, 0.00314504/step, 2.2681 hours remaining, 241.710938 MB of memory in use. ENERGY: 2403800 3964.9426 20583.8122 14440.6315 256.3597 -203351.6163 2654.0519 0.0000 0.0000 52202.3477 -109249.4707 300.0076 -161451.8184 -108889.7075 299.4417 -7.7420 22.0028 761030.5312 -8.4646 -8.5170 PRESSURE: 2404000 -482.806 70.3471 -395.725 70.3475 -167.343 160.365 -395.724 160.365 164.088 GPRESSURE: 2404000 -384.771 32.6925 -309.059 3.61827 -86.6163 91.9855 -487.484 -35.1597 47.6738 PRESSAVG: 2404000 -56.1199 -7.93737 -52.1099 -7.9374 57.0706 31.7489 -52.1099 31.7489 -10.4191 GPRESSAVG: 2404000 -55.8521 -9.10084 -54.2444 -7.24213 56.4893 31.7369 -52.5559 30.3844 -10.3137 TIMING: 2404000 CPU: 7671.9, 0.00313708/step Wall: 7671.9, 0.00313708/step, 2.26218 hours remaining, 241.710938 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: 2404000 3958.2740 20598.5193 14553.8954 249.4421 -203067.6078 2307.0550 0.0000 0.0000 52320.3387 -109080.0834 300.6857 -161400.4221 -108730.0290 299.4185 -162.0203 -141.2378 762685.2541 -3.1562 -3.2255 PRESSURE: 2404200 396.311 232.556 54.3859 232.556 -154.372 83.1304 54.3862 83.1304 71.3609 GPRESSURE: 2404200 393.748 107.845 31.0417 74.676 -111.469 178.979 157.682 62.7525 104.004 PRESSAVG: 2404200 72.933 -29.0731 -14.1358 -29.0731 -97.0208 59.8856 -14.1358 59.8857 19.6794 GPRESSAVG: 2404200 73.6275 -28.2888 -12.4901 -30.87 -96.8493 59.5589 -12.8061 60.7764 19.6614 TIMING: 2404200 CPU: 7672.53, 0.00317427/step Wall: 7672.53, 0.00317427/step, 2.28882 hours remaining, 241.710938 MB of memory in use. ENERGY: 2404200 3945.6097 20432.6035 14527.3644 255.0588 -203466.9306 2856.9049 0.0000 0.0000 52497.0852 -108952.3040 301.7015 -161449.3892 -108588.3689 300.4678 104.4334 128.7610 762215.3945 -1.4695 -1.1868 LDB: ============= START OF LOAD BALANCING ============== 7684.98 LDB: ============== END OF LOAD BALANCING =============== 7684.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7684.99 LDB: ============= START OF LOAD BALANCING ============== 7685.3 LDB: Largest compute 7026 load 0.035806 is 18.3% of average load 0.195237 LDB: Average compute 0.004395 is 2.3% of average load 0.195237 LDB: TIME 7685.3 LOAD: AVG 0.195237 MAX 0.215445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 7685.31 LOAD: AVG 0.195237 MAX 0.215445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.621 MB LDB: TIME 7685.31 LOAD: AVG 0.195237 MAX 0.215445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.621 MB LDB: ============== END OF LOAD BALANCING =============== 7685.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7685.31 PRESSURE: 2404400 -328.795 -124.841 -65.0847 -124.841 72.6701 -237.514 -65.0844 -237.513 -248.955 GPRESSURE: 2404400 -155.79 -118.853 -82.2103 -152.7 16.4191 -202.358 -154.642 -165.489 -287.145 PRESSAVG: 2404400 6.41888 -33.1039 -47.5365 -33.1039 -26.9765 -5.94411 -47.5365 -5.94407 4.33347 GPRESSAVG: 2404400 6.7218 -33.5665 -47.4101 -32.6414 -27.9499 -5.9806 -51.3153 -6.49954 4.80464 TIMING: 2404400 CPU: 7673.18, 0.00321799/step Wall: 7673.18, 0.00321799/step, 2.32017 hours remaining, 243.632812 MB of memory in use. ENERGY: 2404400 4002.8431 20653.9109 14469.6816 259.1205 -202796.7793 2300.4582 0.0000 0.0000 52076.7890 -109033.9760 299.2860 -161110.7650 -108668.4795 300.0456 -168.3599 -142.1717 762896.1272 -5.4080 -5.4745 PRESSURE: 2404600 155.92 340.488 -26.1191 340.489 201.459 80.3617 -26.1186 80.3623 -49.6219 GPRESSURE: 2404600 142.645 268.361 -57.9865 349.448 147.144 67.8065 140.03 -13.8442 131.083 PRESSAVG: 2404600 41.8638 -23.0941 5.8363 -23.094 0.288516 -22.4609 5.83625 -22.461 -21.3627 GPRESSAVG: 2404600 41.5985 -22.8907 5.46191 -21.9778 -0.109349 -20.8565 9.04893 -23.4053 -20.8931 TIMING: 2404600 CPU: 7673.81, 0.00316555/step Wall: 7673.81, 0.00316555/step, 2.28219 hours remaining, 243.632812 MB of memory in use. ENERGY: 2404600 4009.8183 20516.3159 14474.7114 223.4779 -203399.8797 2675.2917 0.0000 0.0000 52265.1043 -109235.1603 300.3683 -161500.2646 -108874.2035 299.7009 102.5855 140.2907 760821.8754 6.9299 6.8654 PRESSURE: 2404800 -605.425 -50.0503 -13.7814 -50.0508 -248.778 -129.177 -13.7815 -129.177 199.623 GPRESSURE: 2404800 -643.501 45.2041 -23.0371 -86.1465 -171.681 -157.891 -143.396 -113.934 254.035 PRESSAVG: 2404800 -22.8332 -20.268 -45.8819 -20.268 15 -17.5781 -45.8818 -17.5781 9.21498 GPRESSAVG: 2404800 -22.2923 -18.5152 -46.087 -20.8194 14.7205 -19.4645 -48.598 -16.8059 9.33584 TIMING: 2404800 CPU: 7674.44, 0.00315273/step Wall: 7674.44, 0.00315273/step, 2.27277 hours remaining, 243.632812 MB of memory in use. ENERGY: 2404800 4055.4924 20430.5481 14594.7466 253.6923 -203346.5481 2736.8527 0.0000 0.0000 52137.3916 -109137.8245 299.6343 -161275.2161 -108776.9842 299.5079 -218.1932 -187.0489 763000.7426 0.4606 0.5880 PRESSURE: 2405000 83.2462 -33.1254 -42.2464 -33.1251 -97.164 288.792 -42.247 288.791 204.795 GPRESSURE: 2405000 21.2495 -57.5226 38.5447 59.5843 -44.8085 353.57 -69.4265 212.811 291.072 PRESSAVG: 2405000 3.04929 -54.2142 10.0215 -54.2142 4.58876 21.71 10.0215 21.71 2.08573 GPRESSAVG: 2405000 1.61713 -55.0213 9.52771 -53.6304 6.32839 23.311 11.568 19.815 1.17212 TIMING: 2405000 CPU: 7675.07, 0.00316707/step Wall: 7675.07, 0.00316707/step, 2.28293 hours remaining, 243.632812 MB of memory in use. ENERGY: 2405000 4002.2374 20519.4096 14559.6043 242.7451 -203310.7619 2503.7297 0.0000 0.0000 52105.2786 -109377.7570 299.4498 -161483.0357 -109020.1295 299.7182 63.6258 89.1711 762346.0973 3.2413 3.0392 PRESSURE: 2405200 29.2617 -118.665 15.8939 -118.665 -140.44 132.351 15.8951 132.351 -24.1652 GPRESSURE: 2405200 105.321 -66.832 -13.6376 -68.4913 -157.082 135.547 7.79707 1.66311 21.1207 PRESSAVG: 2405200 -6.59755 -42.8757 -22.0484 -42.8757 -6.49447 42.5095 -22.0485 42.5095 -2.89155 GPRESSAVG: 2405200 -5.53642 -42.8858 -21.4933 -43.6094 -7.4085 41.6041 -20.0128 42.4818 -2.91988 TIMING: 2405200 CPU: 7675.7, 0.00313768/step Wall: 7675.7, 0.00313768/step, 2.26157 hours remaining, 243.632812 MB of memory in use. ENERGY: 2405200 3999.5742 20525.4931 14502.5421 265.7143 -203074.3029 2548.6347 0.0000 0.0000 52054.7434 -109177.6011 299.1593 -161232.3445 -108809.6895 299.9779 -45.1144 -10.2135 762012.9079 -5.3279 -5.2883 PRESSURE: 2405400 1.53804 50.0408 -48.4177 50.0416 -453.88 104.676 -48.4175 104.677 38.6891 GPRESSURE: 2405400 -15.5706 -70.7467 -53.2241 -34.875 -310.169 120.836 -171.01 145.6 -4.51181 PRESSAVG: 2405400 -22.1104 -66.8791 -54.8102 -66.8791 47.0816 -31.6489 -54.8102 -31.6488 13.8276 GPRESSAVG: 2405400 -22.599 -68.5488 -54.9433 -64.9781 46.6626 -31.2893 -55.8534 -29.5735 14.6473 TIMING: 2405400 CPU: 7676.33, 0.00316567/step Wall: 7676.33, 0.00316567/step, 2.28157 hours remaining, 243.632812 MB of memory in use. ENERGY: 2405400 4124.5934 20524.0451 14438.6370 246.2386 -203217.8536 2491.5167 0.0000 0.0000 52296.0132 -109096.8097 300.5459 -161392.8229 -108727.2827 300.1782 -137.8842 -110.0838 762859.1315 12.9329 12.9036 PRESSURE: 2405600 -54.3612 -200.475 -9.97621 -200.476 306.932 -96.7309 -9.97615 -96.7306 406.783 GPRESSURE: 2405600 -12.1931 -228.279 32.5448 -176.271 327.215 -145.582 0.805175 -35.5745 427.177 PRESSAVG: 2405600 17.1193 -62.9988 -32.8377 -62.9989 10.261 39.4008 -32.8377 39.4008 -2.85095 GPRESSAVG: 2405600 16.4424 -61.0557 -32.676 -65.0235 10.5334 38.0379 -33.4055 41.7832 -2.46853 TIMING: 2405600 CPU: 7676.97, 0.00315827/step Wall: 7676.97, 0.00315827/step, 2.27606 hours remaining, 243.632812 MB of memory in use. ENERGY: 2405600 4048.0658 20585.0413 14554.7444 241.6348 -203473.0490 2761.1782 0.0000 0.0000 52169.9855 -109112.3989 299.8216 -161282.3844 -108752.8203 299.8054 219.7848 247.3997 761647.6831 8.1765 8.1691 PRESSURE: 2405800 97.7305 -240.287 12.6958 -240.288 227.98 -23.9335 12.6958 -23.9341 381.991 GPRESSURE: 2405800 105.983 -127.614 -0.35336 -233.726 299.83 3.78178 64.7183 -35.7774 397.551 PRESSAVG: 2405800 -44.0746 -27.1865 -24.2456 -27.1864 32.7264 17.9069 -24.2456 17.9068 -3.9428 GPRESSAVG: 2405800 -42.7158 -27.0962 -24.5836 -29.5806 31.6082 17.9737 -23.5337 16.877 -5.02577 TIMING: 2405800 CPU: 7677.6, 0.00316053/step Wall: 7677.6, 0.00316053/step, 2.27751 hours remaining, 243.632812 MB of memory in use. ENERGY: 2405800 4030.2669 20565.6780 14513.5029 241.9474 -203268.9429 2745.3678 0.0000 0.0000 52110.7760 -109061.4040 299.4813 -161172.1799 -108711.0577 300.5090 235.9008 267.7880 761951.7001 -5.0970 -5.3778 PRESSURE: 2406000 -388.004 -152.62 -152.441 -152.62 -115.998 -7.58753 -152.44 -7.58747 -105.88 GPRESSURE: 2406000 -327.322 -24.909 -132.645 -99.6145 -7.63317 36.7389 -221.196 125.449 -173.678 PRESSAVG: 2406000 -23.609 3.71302 -55.1501 3.713 -14.0504 -50.258 -55.1502 -50.258 -1.99604 GPRESSAVG: 2406000 -25.2973 3.38579 -55.4795 7.4484 -11.5809 -48.4507 -57.98 -53.1376 -2.10942 TIMING: 2406000 CPU: 7678.23, 0.00316005/step Wall: 7678.23, 0.00316005/step, 2.27699 hours remaining, 243.632812 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: 2406000 3950.0381 20605.5103 14437.6700 231.1106 -202854.4411 2419.1623 0.0000 0.0000 51849.9957 -109360.9541 297.9826 -161210.9498 -108994.8731 299.6497 -203.2938 -169.5444 762635.4636 -13.2185 -12.9959 PRESSURE: 2406200 258.576 95.4193 26.1707 95.4194 204.006 16.6327 26.1712 16.6335 -31.2672 GPRESSURE: 2406200 196.457 20.4345 73.7484 64.1857 223.567 -5.59016 -70.8226 108.334 96.2298 PRESSAVG: 2406200 46.5648 13.9981 -17.3545 13.9982 -45.6456 -30.0585 -17.3545 -30.0584 18.809 GPRESSAVG: 2406200 47.2522 11.9347 -16.926 12.5796 -47.089 -32.3569 -15.3835 -27.5945 19.9699 TIMING: 2406200 CPU: 7678.86, 0.00313435/step Wall: 7678.86, 0.00313435/step, 2.2583 hours remaining, 243.632812 MB of memory in use. ENERGY: 2406200 3920.6386 20430.2673 14510.9363 234.0200 -203755.0518 2852.2561 0.0000 0.0000 52321.7257 -109485.2078 300.6937 -161806.9335 -109117.6992 299.1072 143.7718 172.0843 761819.6317 6.5761 6.7110 PRESSURE: 2406400 -296.146 -117.714 -59.4182 -117.714 -299.744 -187.787 -59.4173 -187.787 -281.506 GPRESSURE: 2406400 -271.58 -24.4584 -50.4503 -164.44 -183.881 -207.636 48.5851 -146.523 -339.947 PRESSAVG: 2406400 -41.011 -27.4086 -10.8342 -27.4087 42.4134 -26.9462 -10.8342 -26.9462 16.4837 GPRESSAVG: 2406400 -40.8406 -25.3848 -10.3293 -28.2186 43.2792 -26.7074 -11.5528 -28.1636 15.0532 TIMING: 2406400 CPU: 7679.49, 0.00314524/step Wall: 7679.49, 0.00314524/step, 2.26597 hours remaining, 243.632812 MB of memory in use. ENERGY: 2406400 3995.4616 20418.0719 14529.4840 241.7142 -203064.5056 2521.7347 0.0000 0.0000 51803.7416 -109554.2977 297.7168 -161358.0393 -109189.9116 299.0053 -292.4655 -265.1358 762201.8195 5.9621 5.8306 PRESSURE: 2406600 30.2076 -81.028 54.8049 -81.0275 173.736 -120.793 54.805 -120.793 58.2169 GPRESSURE: 2406600 -36.7426 -14.6273 50.9895 -108.856 246.457 1.65547 4.19888 -126.624 132.336 PRESSAVG: 2406600 -1.98056 -44.4122 21.9766 -44.4122 26.5883 -32.6311 21.9766 -32.6311 2.51145 GPRESSAVG: 2406600 -2.86584 -44.8761 20.9671 -43.7066 26.5098 -33.5324 23.0767 -30.4542 3.31282 TIMING: 2406600 CPU: 7680.11, 0.00313859/step Wall: 7680.11, 0.00313859/step, 2.261 hours remaining, 243.632812 MB of memory in use. ENERGY: 2406600 3936.3686 20656.7700 14448.3191 245.8013 -203412.2127 2551.7703 0.0000 0.0000 52149.4166 -109423.7668 299.7034 -161573.1834 -109055.3586 299.2500 87.3868 114.0168 761911.5015 9.0397 8.9856 PRESSURE: 2406800 -293.045 -206.001 7.53216 -206.001 456.948 217.799 7.5316 217.799 -21.3939 GPRESSURE: 2406800 -146.567 -220.57 -103.612 -163.161 364.692 148.541 8.42128 174.073 5.10949 PRESSAVG: 2406800 -16.6581 -18.9654 52.2926 -18.9654 14.8881 -16.6349 52.2926 -16.6349 -13.7741 GPRESSAVG: 2406800 -14.4047 -19.5599 52.8387 -20.0506 13.3079 -14.6872 49.3537 -19.2007 -14.2912 TIMING: 2406800 CPU: 7680.75, 0.00316507/step Wall: 7680.75, 0.00316507/step, 2.27991 hours remaining, 243.632812 MB of memory in use. ENERGY: 2406800 3955.1188 20505.7964 14539.2881 245.2316 -203257.3273 2372.1647 0.0000 0.0000 52238.2387 -109401.4889 300.2139 -161639.7276 -109039.7395 299.7119 47.5032 74.4114 761691.9605 -5.1813 -5.1293 PRESSURE: 2407000 141.559 -29.5606 -113.27 -29.5598 173.124 -53.5468 -113.27 -53.5473 -13.8631 GPRESSURE: 2407000 128.676 -115.754 -90.314 -103.812 282.874 -106.5 -42.7397 43.7672 -42.0371 PRESSAVG: 2407000 21.4727 -3.02631 -6.69852 -3.02634 -8.86972 -52.9754 -6.69854 -52.9753 34.2607 GPRESSAVG: 2407000 20.9562 -1.49879 -7.41869 -1.70023 -8.63506 -53.9506 -6.02692 -51.6709 34.3535 TIMING: 2407000 CPU: 7681.37, 0.00312836/step Wall: 7681.37, 0.00312836/step, 2.25329 hours remaining, 243.632812 MB of memory in use. ENERGY: 2407000 3973.3179 20446.7134 14437.0545 244.9820 -203465.4626 2844.5098 0.0000 0.0000 52303.4480 -109215.4370 300.5886 -161518.8850 -108842.0561 299.7369 100.2735 123.1708 761360.2499 15.6212 15.5582 PRESSURE: 2407200 -118.36 -273.831 104.535 -273.831 -280.446 -173.592 104.535 -173.593 -133.596 GPRESSURE: 2407200 -153.675 -354.01 18.3481 -321.611 -280.154 -177.294 175.513 -193.484 -21.8615 PRESSAVG: 2407200 20.6632 -43.1438 -46.3017 -43.1438 -1.72351 52.55 -46.3016 52.55 9.74683 GPRESSAVG: 2407200 19.7539 -43.7691 -45.1982 -43.7451 -2.35911 52.4359 -46.4832 52.6006 10.7649 TIMING: 2407200 CPU: 7682, 0.00315419/step Wall: 7682, 0.00315419/step, 2.27172 hours remaining, 243.632812 MB of memory in use. ENERGY: 2407200 4005.7313 20609.4538 14466.8103 245.6161 -202817.2751 2328.3850 0.0000 0.0000 52127.3995 -109033.8791 299.5769 -161161.2786 -108666.6001 299.7223 -177.4673 -151.8969 762677.1592 9.5622 9.3865 PRESSURE: 2407400 -37.5687 18.5062 176.653 18.5066 -398.861 44.8185 176.652 44.8179 -315.798 GPRESSURE: 2407400 50.1302 70.6693 99.4306 -89.4622 -330.801 33.8272 150.868 36.561 -366.206 PRESSAVG: 2407400 2.34191 -21.6661 -94.3856 -21.6662 -7.8144 -6.51776 -94.3856 -6.51784 -11.1211 GPRESSAVG: 2407400 2.81605 -20.8157 -96.1068 -22.1852 -7.30638 -6.36085 -91.6853 -7.66693 -10.9844 TIMING: 2407400 CPU: 7682.63, 0.00313721/step Wall: 7682.63, 0.00313721/step, 2.25932 hours remaining, 243.632812 MB of memory in use. ENERGY: 2407400 3949.6966 20512.3153 14502.1850 246.2332 -202773.9724 2382.6309 0.0000 0.0000 52204.7845 -108976.1269 300.0216 -161180.9115 -108612.1588 299.8737 -250.7425 -215.6256 763149.8702 -5.5312 -5.1582 PRESSURE: 2407600 226.498 61.1301 -36.3039 61.1306 -246.045 -118.153 -36.3032 -118.154 -47.3973 GPRESSURE: 2407600 234.398 130.745 -62.7675 87.5302 -188.588 -125.642 43.7869 -118.611 -15.1309 PRESSAVG: 2407600 -16.1823 -32.9848 -28.5516 -32.9848 19.3814 -40.0181 -28.5516 -40.0181 2.10162 GPRESSAVG: 2407600 -16.1738 -34.2363 -26.9603 -29.4202 19.2956 -38.2024 -31.0964 -39.7259 2.59559 TIMING: 2407600 CPU: 7683.26, 0.003145/step Wall: 7683.26, 0.003145/step, 2.26475 hours remaining, 243.632812 MB of memory in use. ENERGY: 2407600 4043.3876 20502.8695 14453.8893 244.8304 -203098.7191 2500.0603 0.0000 0.0000 52359.3749 -108994.3071 300.9100 -161353.6820 -108622.8314 299.9415 -22.3148 10.2261 761930.5347 1.7669 1.9058 PRESSURE: 2407800 108.581 -67.8659 -63.2272 -67.8657 -144.894 124.894 -63.2263 124.894 -29.2553 GPRESSURE: 2407800 220.68 -61.7304 -123.947 11.1004 -195.501 208.254 80.2758 73.9588 11.6919 PRESSAVG: 2407800 90.2354 -8.86816 34.3116 -8.86817 -47.6926 5.43095 34.3116 5.43096 4.64514 GPRESSAVG: 2407800 90.5876 -9.4588 34.3155 -10.8618 -48.0188 4.76157 36.9816 6.90808 4.61496 TIMING: 2407800 CPU: 7683.89, 0.00314974/step Wall: 7683.89, 0.00314974/step, 2.26799 hours remaining, 243.632812 MB of memory in use. ENERGY: 2407800 3961.1952 20467.6803 14442.0567 269.5898 -203059.4620 2532.1504 0.0000 0.0000 52076.3069 -109310.4826 299.2833 -161386.7895 -108951.2352 299.8967 -21.8563 12.2904 763335.8935 15.7293 15.7279 PRESSURE: 2408000 137.852 -237.775 -96.1074 -237.775 -162.857 -151.137 -96.1079 -151.138 32.9629 GPRESSURE: 2408000 220.089 -229.801 -132.691 -199.824 -105.095 -114.275 -127.557 -197.246 -29.7105 PRESSAVG: 2408000 24.0723 -77.2946 59.1372 -77.2946 14.2143 26.2872 59.1372 26.2871 -5.86015 GPRESSAVG: 2408000 24.6652 -76.6657 60.5714 -76.7913 14.8168 26.1158 57.4396 23.4898 -6.78419 TIMING: 2408000 CPU: 7684.52, 0.00317165/step Wall: 7684.52, 0.00317165/step, 2.28359 hours remaining, 243.632812 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: 2408000 3963.5719 20509.8032 14416.5432 248.2052 -203020.6604 2477.1602 0.0000 0.0000 52139.6506 -109265.7261 299.6473 -161405.3767 -108901.7290 299.1645 2.6527 28.4278 762923.9534 10.8088 10.8993 PRESSURE: 2408200 -162.233 -359.172 28.7342 -359.171 529.683 -222.149 28.7345 -222.149 11.285 GPRESSURE: 2408200 -5.32218 -264.162 17.8821 -297.513 511.694 -205.192 -84.1288 -96.8801 -34.4455 PRESSAVG: 2408200 43.4326 -40.4726 -35.5951 -40.4727 -41.138 -15.8369 -35.5951 -15.8369 -5.75481 GPRESSAVG: 2408200 43.4818 -40.0106 -37.9765 -39.5252 -40.835 -17.485 -35.9981 -15.3214 -5.57722 TIMING: 2408200 CPU: 7685.15, 0.00315596/step Wall: 7685.15, 0.00315596/step, 2.27212 hours remaining, 243.632812 MB of memory in use. ENERGY: 2408200 4000.6244 20457.4218 14487.0024 248.0687 -203381.1867 2801.5753 0.0000 0.0000 52049.2003 -109337.2939 299.1275 -161386.4942 -108968.2843 298.9181 126.2448 157.3087 761451.8550 -1.1534 -0.9768 LDB: ============= START OF LOAD BALANCING ============== 7697.6 LDB: ============== END OF LOAD BALANCING =============== 7697.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7697.61 LDB: ============= START OF LOAD BALANCING ============== 7697.92 LDB: Largest compute 7026 load 0.034838 is 17.8% of average load 0.195384 LDB: Average compute 0.004396 is 2.2% of average load 0.195384 LDB: TIME 7697.93 LOAD: AVG 0.195384 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.203 MB LDB: TIME 7697.93 LOAD: AVG 0.195384 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.207 MB LDB: TIME 7697.93 LOAD: AVG 0.195384 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.207 MB LDB: ============== END OF LOAD BALANCING =============== 7697.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7697.94 PRESSURE: 2408400 267.359 81.4044 55.8842 81.4042 -2.47887 -77.9246 55.8843 -77.9254 108.608 GPRESSURE: 2408400 230.312 -36.9192 59.8751 -28.2789 141.033 -17.8128 51.5445 18.7679 92.1004 PRESSAVG: 2408400 -18.6505 -4.87326 -57.0962 -4.87323 4.33728 65.266 -57.0961 65.2659 -15.143 GPRESSAVG: 2408400 -19.0231 -4.89104 -56.7182 -6.7411 5.08655 64.7272 -55.4491 65.6723 -15.0581 TIMING: 2408400 CPU: 7685.8, 0.00322386/step Wall: 7685.8, 0.00322386/step, 2.32082 hours remaining, 240.984375 MB of memory in use. ENERGY: 2408400 3965.3068 20387.0751 14581.5981 241.9076 -203592.4525 2800.5573 0.0000 0.0000 52223.6238 -109392.3839 300.1299 -161616.0076 -109036.3995 299.1537 124.4960 154.4818 760732.4097 -9.8187 -9.6649 PRESSURE: 2408600 -28.3075 -61.666 203.421 -61.6652 -211.35 -210.119 203.422 -210.12 195.798 GPRESSURE: 2408600 32.2816 -136.969 210.08 -102.347 -199.059 -127.637 311.684 -159.349 221.376 PRESSAVG: 2408600 41.8214 22.5198 -12.7401 22.5198 -1.17958 -42.5199 -12.7401 -42.5199 -18.9912 GPRESSAVG: 2408600 40.5456 22.8352 -14.2604 21.5843 -1.86757 -40.7286 -11.673 -42.313 -17.3726 TIMING: 2408600 CPU: 7686.43, 0.00317443/step Wall: 7686.43, 0.00317443/step, 2.28506 hours remaining, 240.984375 MB of memory in use. ENERGY: 2408600 3952.7598 20496.0116 14490.2210 258.7283 -203301.6622 2462.9844 0.0000 0.0000 52340.1993 -109300.7579 300.7998 -161640.9571 -108932.3069 299.7352 -14.6201 18.1993 761044.1277 7.2169 7.1018 PRESSURE: 2408800 -90.2331 -28.4175 9.48589 -28.418 93.9446 -9.61426 9.48542 -9.61513 -254.552 GPRESSURE: 2408800 -60.5542 -100.74 23.6358 55.592 159.536 -17.42 24.8404 68.553 -246.75 PRESSAVG: 2408800 26.5294 -31.0459 -3.8917 -31.0459 72.5114 41.0095 -3.89169 41.0095 17.5999 GPRESSAVG: 2408800 28.9807 -30.8026 -0.847072 -31.6428 72.5527 40.3673 -7.77672 40.2343 15.4041 TIMING: 2408800 CPU: 7687.06, 0.00314197/step Wall: 7687.06, 0.00314197/step, 2.26152 hours remaining, 240.984375 MB of memory in use. ENERGY: 2408800 4041.4204 20480.9858 14509.5056 257.1001 -203350.7705 2706.6470 0.0000 0.0000 51931.4516 -109423.6600 298.4508 -161355.1115 -109061.8649 299.8708 -83.6136 -49.2562 759603.9205 38.8802 38.9792 PRESSURE: 2409000 -253.819 -144.662 -412.8 -144.663 -437.776 120.955 -412.801 120.955 -98.5611 GPRESSURE: 2409000 -273.398 -141.414 -376.863 -105.632 -404.532 113.864 -423.876 97.3174 -19.4946 PRESSAVG: 2409000 0.290714 -39.695 12.13 -39.695 12.4495 -1.05031 12.1299 -1.05026 -32.8586 GPRESSAVG: 2409000 -0.538015 -42.0751 9.74514 -37.5518 12.3174 -2.0255 14.2704 0.501105 -31.8271 TIMING: 2409000 CPU: 7687.69, 0.0031534/step Wall: 7687.69, 0.0031534/step, 2.26957 hours remaining, 240.984375 MB of memory in use. ENERGY: 2409000 4048.5964 20576.7920 14403.1765 238.9731 -203508.3438 2510.9118 0.0000 0.0000 51938.8539 -109791.0400 298.4933 -161729.8939 -109443.6121 298.9299 -263.3855 -232.4750 760541.6793 -6.7061 -6.6826 PRESSURE: 2409200 562.096 -132.29 44.4294 -132.289 482.514 -3.12466 44.4303 -3.12474 -357.203 GPRESSURE: 2409200 614.202 -1.77228 34.9095 -88.8787 443.507 105.142 119.812 -1.71712 -290.574 PRESSAVG: 2409200 3.36276 -28.9312 -13.3481 -28.9312 -45.3301 -15.7685 -13.3481 -15.7685 -3.3835 GPRESSAVG: 2409200 2.03537 -26.2638 -15.0964 -32.3505 -43.9855 -14.7768 -13.6064 -16.1438 -3.74395 TIMING: 2409200 CPU: 7688.33, 0.00316879/step Wall: 7688.33, 0.00316879/step, 2.28047 hours remaining, 240.984375 MB of memory in use. ENERGY: 2409200 3967.1184 20365.9665 14464.5048 243.3894 -203690.2200 2841.3456 0.0000 0.0000 52152.9571 -109654.9382 299.7238 -161807.8953 -109283.6402 298.5285 229.1355 255.7116 760782.3286 -15.1169 -15.2314 PRESSURE: 2409400 -75.3927 -22.9443 207.963 -22.944 -37.0236 62.204 207.964 62.2036 -416.02 GPRESSURE: 2409400 6.07031 23.6042 167.781 7.4305 -83.3735 103.99 276.94 65.5531 -362.747 PRESSAVG: 2409400 -0.416756 -21.1692 38.5402 -21.1692 -2.23884 44.9367 38.5402 44.9367 1.32298 GPRESSAVG: 2409400 1.18935 -21.369 39.1023 -18.0095 -4.07087 44.4285 40.7374 43.3234 2.04273 TIMING: 2409400 CPU: 7688.96, 0.00316645/step Wall: 7688.96, 0.00316645/step, 2.27861 hours remaining, 240.984375 MB of memory in use. ENERGY: 2409400 4015.0280 20619.6547 14436.0412 240.0713 -203251.0002 2456.1606 0.0000 0.0000 51910.6148 -109573.4295 298.3310 -161484.0443 -109213.2435 299.2510 -176.1454 -146.6834 762182.7660 -0.4442 -0.2796 PRESSURE: 2409600 359.466 -129.497 105.29 -129.496 -26.496 49.8186 105.29 49.8182 -105.542 GPRESSURE: 2409600 307.731 -96.2213 145.919 -140.918 26.5816 42.5106 95.3866 -36.2771 -21.1032 PRESSAVG: 2409600 14.4008 -57.1106 44.6056 -57.1107 7.81785 45.1808 44.6056 45.1808 -11.7028 GPRESSAVG: 2409600 12.7205 -57.8028 45.2508 -56.5887 9.0476 44.4807 43.0211 46.8007 -11.3834 TIMING: 2409600 CPU: 7689.59, 0.00317062/step Wall: 7689.59, 0.00317062/step, 2.28143 hours remaining, 240.984375 MB of memory in use. ENERGY: 2409600 3955.5675 20535.0089 14495.6795 250.2294 -203380.0388 2694.6338 0.0000 0.0000 51851.4210 -109597.4988 297.9908 -161448.9198 -109245.4766 299.1424 75.8091 104.4031 761838.8925 3.5053 3.4616 PRESSURE: 2409800 76.8318 63.3789 -65.1864 63.379 -246.187 94.2863 -65.1864 94.2858 263.19 GPRESSURE: 2409800 227.471 118.373 21.1007 3.62274 -244.02 98.0584 -109.554 181.888 190.012 PRESSAVG: 2409800 -37.2545 -16.4566 26.8452 -16.4566 68.4207 62.7137 26.8451 62.7137 -18.2352 GPRESSAVG: 2409800 -35.7007 -15.1041 27.3023 -17.9492 67.2924 64.2188 26.0561 61.9422 -18.0964 TIMING: 2409800 CPU: 7690.22, 0.0031354/step Wall: 7690.22, 0.00313541/step, 2.25592 hours remaining, 240.984375 MB of memory in use. ENERGY: 2409800 3956.6202 20499.0618 14514.5338 255.1568 -203196.1514 2510.0708 0.0000 0.0000 52035.2407 -109425.4674 299.0472 -161460.7081 -109069.0904 299.0268 31.2781 57.8208 762059.6533 4.3103 4.4984 PRESSURE: 2410000 -20.4161 -122.979 -149.396 -122.979 -249.697 -25.3318 -149.397 -25.3321 64.2076 GPRESSURE: 2410000 -12.0073 -120.719 -52.6079 -19.101 -95.0501 -29.9342 -127.94 104.054 -28.2472 PRESSAVG: 2410000 -13.5636 -24.2117 12.2962 -24.2116 2.21896 -6.92247 12.2962 -6.92245 -4.76689 GPRESSAVG: 2410000 -14.2355 -25.2399 12.5675 -24.6436 3.46276 -7.05791 13.4475 -6.57583 -5.39452 TIMING: 2410000 CPU: 7690.85, 0.00315257/step Wall: 7690.85, 0.00315257/step, 2.2681 hours remaining, 240.984375 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: 2410000 3932.6784 20475.8978 14502.2554 248.0690 -202668.1685 2164.3757 0.0000 0.0000 51875.8517 -109469.0405 298.1312 -161344.8922 -109116.4616 298.9634 -68.6352 -45.1015 761572.1032 -5.3705 -5.3891 PRESSURE: 2410200 -190.842 -101.285 -79.7454 -101.285 264.645 48.1294 -79.7458 48.1276 -45.5113 GPRESSURE: 2410200 -168.39 20.355 -7.20151 -49.1858 341.676 25.2208 -148.705 -59.7125 -79.0814 PRESSAVG: 2410200 -10.4527 -15.24 -42.9584 -15.2399 16.521 11.405 -42.9585 11.405 0.900036 GPRESSAVG: 2410200 -10.9249 -16.7065 -42.7584 -13.0621 16.6452 10.9213 -45.9259 11.1029 0.747668 TIMING: 2410200 CPU: 7691.49, 0.00316938/step Wall: 7691.49, 0.00316938/step, 2.28002 hours remaining, 240.984375 MB of memory in use. ENERGY: 2410200 3923.7240 20590.6006 14505.7401 263.1430 -203474.4532 2500.1322 0.0000 0.0000 52087.3035 -109603.8099 299.3464 -161691.1134 -109238.2273 299.2333 9.4306 31.4016 760336.7886 2.3228 2.1560 PRESSURE: 2410400 76.3709 135.086 -32.8756 135.085 -16.1333 78.79 -32.875 78.7907 9.72067 GPRESSURE: 2410400 65.6001 143.483 69.3358 198.229 56.3594 110.106 25.4458 91.0074 63.8743 PRESSAVG: 2410400 -48.0297 19.0558 -6.8794 19.0558 43.2321 -28.107 -6.87941 -28.1071 -3.60581 GPRESSAVG: 2410400 -47.2464 19.597 -7.72542 18.6246 42.999 -28.8176 -2.39952 -26.2823 -4.21011 TIMING: 2410400 CPU: 7692.12, 0.00315871/step Wall: 7692.12, 0.00315871/step, 2.27217 hours remaining, 240.984375 MB of memory in use. ENERGY: 2410400 3913.1949 20678.8024 14451.6735 242.4517 -203165.7025 2455.8782 0.0000 0.0000 51952.5896 -109471.1122 298.5722 -161423.7018 -109108.8925 299.7428 23.3194 61.9446 760923.4170 -2.8011 -2.8192 PRESSURE: 2410600 -74.7387 -6.64391 -101.935 -6.64376 -114.802 230.296 -101.933 230.296 -332.234 GPRESSURE: 2410600 -109.002 117.358 -78.5336 -25.8925 -55.5945 285.934 -189.538 302.496 -272.774 PRESSAVG: 2410600 -57.9603 -7.71924 27.7665 -7.71926 78.2077 18.8926 27.7665 18.8926 -1.29789 GPRESSAVG: 2410600 -60.2348 -5.19155 28.6198 -7.57235 79.383 21.6127 24.4417 17.202 -0.347471 TIMING: 2410600 CPU: 7692.75, 0.00314662/step Wall: 7692.75, 0.00314662/step, 2.26329 hours remaining, 240.984375 MB of memory in use. ENERGY: 2410600 4080.3989 20647.1811 14472.9465 237.5049 -203177.6791 2377.7011 0.0000 0.0000 51905.2508 -109456.6958 298.3002 -161361.9466 -109094.1935 299.0378 -173.9248 -145.7904 760668.9692 6.3165 6.2669 PRESSURE: 2410800 -169.183 -128.917 -94.4058 -128.916 -256.724 4.5617 -94.4055 4.56177 408.945 GPRESSURE: 2410800 -44.5152 -126.023 -61.8837 -129.277 -157.845 -60.7746 22.7506 -63.8239 293.952 PRESSAVG: 2410800 -2.03671 -33.1357 -4.06887 -33.1357 29.6618 1.44415 -4.06892 1.44419 -3.32148 GPRESSAVG: 2410800 -1.74792 -35.1451 -2.78426 -34.0553 30.6339 -0.726736 -3.95362 0.808964 -4.35259 TIMING: 2410800 CPU: 7693.38, 0.00315681/step Wall: 7693.38, 0.00315681/step, 2.27045 hours remaining, 240.984375 MB of memory in use. ENERGY: 2410800 4006.4205 20549.6514 14453.4584 251.7992 -203142.9067 2424.0222 0.0000 0.0000 52058.4593 -109399.0956 299.1807 -161457.5549 -109034.3998 299.4622 -5.6539 30.5304 760511.3565 8.1012 8.1778 PRESSURE: 2411000 184.499 -36.6272 22.324 -36.6274 -224.721 -10.0468 22.3238 -10.0471 29.3214 GPRESSURE: 2411000 224.607 -16.7378 -17.1377 -93.1921 -217.425 47.1398 39.651 14.9686 60.8812 PRESSAVG: 2411000 -38.8948 -57.1053 -61.1122 -57.1053 47.9004 -3.97529 -61.1122 -3.97527 -19.2254 GPRESSAVG: 2411000 -38.4302 -54.9039 -64.2177 -57.8196 47.217 -3.20095 -59.1288 -1.78348 -18.9979 TIMING: 2411000 CPU: 7694.01, 0.00318097/step Wall: 7694.01, 0.00318097/step, 2.28765 hours remaining, 240.984375 MB of memory in use. ENERGY: 2411000 3943.4940 20669.6858 14418.2289 243.4476 -203343.7977 2561.7835 0.0000 0.0000 52290.2691 -109216.8888 300.5129 -161507.1579 -108848.7381 299.9184 -3.6336 22.6878 760857.4230 -3.4066 -3.4037 PRESSURE: 2411200 174.789 -391.005 -27.3772 -391.004 -374.75 7.38057 -27.3767 7.38074 -112.098 GPRESSURE: 2411200 165.307 -327.981 51.0899 -334.611 -279.273 30.8674 -67.308 98.8729 -86.9531 PRESSAVG: 2411200 7.48729 -24.1155 11.5959 -24.1155 4.178 -3.82667 11.5959 -3.82671 -1.08439 GPRESSAVG: 2411200 6.50898 -25.0763 12.8837 -24.1567 4.60493 -4.08719 8.68657 -3.69023 -0.267859 TIMING: 2411200 CPU: 7694.65, 0.00317342/step Wall: 7694.65, 0.00317342/step, 2.28204 hours remaining, 240.984375 MB of memory in use. ENERGY: 2411200 3980.7199 20325.4396 14509.6670 248.3236 -203027.6791 2413.2496 0.0000 0.0000 52368.4754 -109181.8041 300.9623 -161550.2794 -108814.1151 300.0284 -104.0196 -66.9732 761660.9632 3.5270 3.6154 PRESSURE: 2411400 278.112 278.085 171.458 278.085 59.205 -92.0223 171.458 -92.0217 191.968 GPRESSURE: 2411400 229.164 374.129 109.749 94.3097 204.325 -91.6229 247.84 -148.651 180.423 PRESSAVG: 2411400 25.2931 -16.4038 32.0484 -16.4039 -27.2873 -1.63214 32.0485 -1.63218 24.4861 GPRESSAVG: 2411400 26.2544 -18.2631 31.2514 -15.2834 -27.8627 -2.05151 34.3593 -1.77196 24.1726 TIMING: 2411400 CPU: 7695.28, 0.00315705/step Wall: 7695.28, 0.00315705/step, 2.27009 hours remaining, 240.984375 MB of memory in use. ENERGY: 2411400 3996.5746 20484.1305 14489.9492 264.5498 -203201.1262 2479.8478 0.0000 0.0000 52221.2371 -109264.8371 300.1162 -161486.0742 -108904.0143 299.6152 176.4286 204.6374 759423.3180 7.4973 7.5214 PRESSURE: 2411600 -465.609 -129.513 53.2282 -129.513 -88.31 186.534 53.2279 186.534 -105.265 GPRESSURE: 2411600 -436.001 -62.3656 128.001 -169.371 -128.912 175.357 -13.5324 120.585 -13.2062 PRESSAVG: 2411600 13.6676 -36.6691 10.4341 -36.6691 -44.1163 39.37 10.434 39.37 17.6569 GPRESSAVG: 2411600 14.99 -35.496 11.3944 -36.8287 -44.4169 40.6358 11.0994 39.4647 16.7401 TIMING: 2411600 CPU: 7695.91, 0.0031343/step Wall: 7695.91, 0.0031343/step, 2.25356 hours remaining, 240.984375 MB of memory in use. ENERGY: 2411600 3992.9461 20460.6821 14406.8459 239.4153 -202960.7308 2185.0153 0.0000 0.0000 52550.4704 -109125.3557 302.0083 -161675.8261 -108759.6099 300.0679 -219.7282 -192.7065 760857.9550 -4.2640 -4.2289 PRESSURE: 2411800 -249.221 -158.762 41.5009 -158.762 -94.9951 -5.17821 41.5016 -5.17742 -7.83476 GPRESSURE: 2411800 -197.198 -192.915 54.1705 -175.452 1.68586 34.9499 99.581 63.5146 -57.4057 PRESSAVG: 2411800 -28.88 -9.30238 40.5717 -9.30241 21.8721 36.3038 40.5716 36.3037 -18.9368 GPRESSAVG: 2411800 -28.9555 -9.46022 39.6972 -9.708 20.2599 38.2793 39.6587 32.9055 -17.2808 TIMING: 2411800 CPU: 7696.54, 0.00317018/step Wall: 7696.54, 0.00317018/step, 2.27918 hours remaining, 240.984375 MB of memory in use. ENERGY: 2411800 3990.0044 20428.8333 14519.5204 223.6911 -202748.1170 2323.8665 0.0000 0.0000 52138.9453 -109123.2560 299.6432 -161262.2013 -108758.8205 299.8440 -117.3504 -84.3058 759691.4994 -8.6482 -8.6588 PRESSURE: 2412000 -195.661 280.74 6.77303 280.74 42.5101 -205.195 6.77336 -205.194 183.583 GPRESSURE: 2412000 -168.679 181.377 -37.7273 253.158 51.9941 -105.669 -118.705 -65.309 223.395 PRESSAVG: 2412000 -52.5144 -13.7229 12.303 -13.7229 17.9757 46.7625 12.303 46.7626 16.8114 GPRESSAVG: 2412000 -54.6047 -15.3844 11.3981 -13.3886 19.6165 43.7717 10.7886 48.0483 17.0757 TIMING: 2412000 CPU: 7697.17, 0.00315565/step Wall: 7697.17, 0.00315565/step, 2.26857 hours remaining, 240.984375 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: 2412000 3982.8277 20600.5777 14566.5885 238.6326 -203203.0997 2609.1782 0.0000 0.0000 52340.7349 -108864.5601 300.8029 -161205.2950 -108500.4346 300.5398 10.1441 35.5699 759373.0466 -5.9091 -5.9708 PRESSURE: 2412200 33.3433 -90.1765 -128.671 -90.1762 -214.591 134.502 -128.671 134.502 -290.952 GPRESSURE: 2412200 55.6475 -238.581 -147.205 59.6134 -157.114 104.497 -138.082 147.961 -282.776 PRESSAVG: 2412200 0.582663 -2.22328 -0.500809 -2.22325 12.5833 24.9802 -0.5008 24.9802 25.3269 GPRESSAVG: 2412200 1.58561 -0.244844 1.64695 -3.53047 13.4074 23.9731 0.231325 26.4987 23.8009 TIMING: 2412200 CPU: 7697.81, 0.00316504/step Wall: 7697.81, 0.00316504/step, 2.27513 hours remaining, 240.984375 MB of memory in use. ENERGY: 2412200 4021.4028 20611.6342 14459.6809 245.0019 -203120.4202 2535.4173 0.0000 0.0000 52323.6531 -108923.6299 300.7048 -161247.2831 -108570.5955 300.9557 -157.3998 -128.0808 761197.2908 12.8309 12.9313 LDB: ============= START OF LOAD BALANCING ============== 7710.26 LDB: ============== END OF LOAD BALANCING =============== 7710.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7710.26 LDB: ============= START OF LOAD BALANCING ============== 7710.58 LDB: Largest compute 7032 load 0.036084 is 18.5% of average load 0.195311 LDB: Average compute 0.004394 is 2.2% of average load 0.195311 LDB: TIME 7710.58 LOAD: AVG 0.195311 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.551 MB LDB: TIME 7710.58 LOAD: AVG 0.195311 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: TIME 7710.58 LOAD: AVG 0.195311 MAX 0.213819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: ============== END OF LOAD BALANCING =============== 7710.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7710.59 PRESSURE: 2412400 -576.187 -160.411 -100.355 -160.412 -56.9644 -119.912 -100.355 -119.912 26.4866 GPRESSURE: 2412400 -536.095 -73.8788 -147.54 -145.385 30.1328 -141.66 -172.856 -119.934 0.273712 PRESSAVG: 2412400 -5.49335 14.1694 -82.2835 14.1694 -2.54159 8.05575 -82.2836 8.05583 -22.7402 GPRESSAVG: 2412400 -5.89421 13.8252 -82.7624 15.8135 -2.58448 9.06941 -83.9144 9.01956 -22.3598 TIMING: 2412400 CPU: 7698.45, 0.00322226/step Wall: 7698.45, 0.00322227/step, 2.31609 hours remaining, 240.722656 MB of memory in use. ENERGY: 2412400 3986.3360 20461.7173 14566.7188 245.9140 -202984.7486 2427.1556 0.0000 0.0000 52144.9266 -109151.9805 299.6776 -161296.9070 -108794.7265 300.1363 -202.2216 -168.5630 762903.4827 -10.2584 -10.2795 PRESSURE: 2412600 -12.8771 267.244 -61.3509 267.244 238.545 -263.193 -61.3516 -263.192 -62.9961 GPRESSURE: 2412600 95.6598 57.0831 23.9095 219.226 244.714 -145.945 -191.249 -352.099 -86.936 PRESSAVG: 2412600 9.15603 -39.0488 7.04815 -39.0487 -21.464 3.87265 7.04816 3.87262 4.30808 GPRESSAVG: 2412600 10.9767 -39.7225 7.64344 -40.4443 -23.0598 4.7488 6.58529 0.0891898 3.89213 TIMING: 2412600 CPU: 7699.08, 0.00316857/step Wall: 7699.08, 0.00316857/step, 2.27732 hours remaining, 240.722656 MB of memory in use. ENERGY: 2412600 3964.0838 20520.4627 14479.6911 241.4472 -202739.9146 2337.0720 0.0000 0.0000 52055.7267 -109141.4312 299.1650 -161197.1579 -108768.2778 299.6141 54.2240 84.4793 762233.1133 -2.6666 -2.7303 PRESSURE: 2412800 1.74413 -511.608 38.7723 -511.607 120.298 -147.853 38.7723 -147.853 112.574 GPRESSURE: 2412800 94.3939 -538.012 157.151 -423.659 75.8512 -194.284 96.0456 -88.9502 160.002 PRESSAVG: 2412800 24.4389 -32.3087 12.7241 -32.3086 -4.4755 5.20956 12.7241 5.20955 -8.60107 GPRESSAVG: 2412800 23.996 -31.8283 11.3393 -31.7583 -4.70129 4.48784 15.7414 4.2977 -7.39946 TIMING: 2412800 CPU: 7699.72, 0.00315634/step Wall: 7699.72, 0.00315634/step, 2.26836 hours remaining, 240.722656 MB of memory in use. ENERGY: 2412800 3903.8898 20455.1999 14468.2475 265.8740 -202798.9639 2151.5093 0.0000 0.0000 52289.1643 -109265.0792 300.5065 -161554.2435 -108893.1908 300.0426 78.2053 110.0823 760670.8584 3.7874 3.9651 PRESSURE: 2413000 -368.795 -199.146 30.0179 -199.145 -454.957 55.2346 30.0188 55.235 -248.691 GPRESSURE: 2413000 -335.793 -173.975 -29.2358 -229.349 -434.081 39.5096 20.7178 127.91 -230.609 PRESSAVG: 2413000 -25.9153 -76.2543 -14.6349 -76.2543 7.31953 -2.5353 -14.6348 -2.53525 4.7455 GPRESSAVG: 2413000 -27.6423 -73.1305 -13.1122 -76.7747 7.95568 0.0427435 -16.637 -1.65627 5.48433 TIMING: 2413000 CPU: 7700.34, 0.00314696/step Wall: 7700.34, 0.00314696/step, 2.26144 hours remaining, 240.722656 MB of memory in use. ENERGY: 2413000 4009.1031 20502.4140 14492.3927 230.3043 -202462.5921 1892.8420 0.0000 0.0000 51926.2150 -109409.3208 298.4207 -161335.5359 -109058.5509 299.3646 -357.4809 -333.4943 761107.9379 -4.6168 -4.7341 PRESSURE: 2413200 -9.21756 -72.5118 -49.394 -72.5107 131.809 9.60709 -49.3943 9.60625 206.653 GPRESSURE: 2413200 30.6089 -81.5468 6.69989 -32.0886 154.685 -26.9324 60.4202 -8.07849 238.941 PRESSAVG: 2413200 33.2744 -64.488 -20.1557 -64.4881 -27.9728 8.20203 -20.1557 8.20209 -27.9734 GPRESSAVG: 2413200 33.4397 -67.6555 -21.0288 -63.9615 -27.5204 4.67297 -19.167 10.4847 -28.389 TIMING: 2413200 CPU: 7700.97, 0.00314291/step Wall: 7700.97, 0.00314291/step, 2.25835 hours remaining, 240.722656 MB of memory in use. ENERGY: 2413200 3949.8027 20387.1819 14486.3381 252.7227 -203378.4962 2514.7533 0.0000 0.0000 52374.2668 -109413.4307 300.9956 -161787.6975 -109052.7782 299.2940 109.7481 141.4115 761511.6355 -7.5572 -7.4899 PRESSURE: 2413400 -54.7036 -78.9544 166.873 -78.9549 -24.0398 14.6781 166.873 14.6776 6.21727 GPRESSURE: 2413400 -38.9869 -108.405 148.25 59.1911 27.266 -64.2961 120.099 54.2128 28.9361 PRESSAVG: 2413400 28.8784 -0.764759 54.5536 -0.764784 -23.8513 50.4693 54.5536 50.4692 -6.74335 GPRESSAVG: 2413400 29.5077 -0.380041 55.1909 -2.41459 -24.4624 52.6826 55.694 49.796 -7.13843 TIMING: 2413400 CPU: 7701.6, 0.00314495/step Wall: 7701.6, 0.00314495/step, 2.25965 hours remaining, 240.722656 MB of memory in use. ENERGY: 2413400 3991.6815 20501.1098 14503.9118 258.1359 -203369.2931 2582.9039 0.0000 0.0000 52007.2018 -109524.3484 298.8861 -161531.5502 -109166.7419 299.7700 -24.1754 5.7384 761280.0668 -0.5721 -0.6977 PRESSURE: 2413600 -73.9797 20.7824 275.698 20.7822 -99.5478 -230.358 275.699 -230.357 202.07 GPRESSURE: 2413600 19.838 74.0367 220.691 -36.4671 -79.8306 -221.796 319.918 -144.303 182.922 PRESSAVG: 2413600 44.7118 -30.6651 61.8138 -30.6651 18.8856 14.0518 61.8138 14.0518 7.11536 GPRESSAVG: 2413600 44.1712 -31.0253 61.3367 -30.4846 18.9065 11.9865 60.9136 13.5346 8.07895 TIMING: 2413600 CPU: 7702.23, 0.00314653/step Wall: 7702.23, 0.00314653/step, 2.26061 hours remaining, 240.722656 MB of memory in use. ENERGY: 2413600 3983.0652 20477.6912 14459.4770 263.8763 -203532.6604 2764.2265 0.0000 0.0000 51892.8622 -109691.4620 298.2290 -161584.3242 -109332.8649 299.0324 9.5141 40.9764 761802.7788 23.5709 23.7189 PRESSURE: 2413800 82.1077 -75.1906 104.161 -75.1911 -228.027 80.3991 104.162 80.4004 -297.719 GPRESSURE: 2413800 102.374 -127.755 57.4944 -111.335 -102.565 62.0812 -5.32381 124.826 -341.516 PRESSAVG: 2413800 44.5584 6.2092 -5.80181 6.20924 10.4284 20.7617 -5.80179 20.7617 -6.79443 GPRESSAVG: 2413800 44.4944 6.91731 -6.45192 7.01132 10.7161 20.1629 -5.27465 21.449 -7.61 TIMING: 2413800 CPU: 7702.86, 0.00315916/step Wall: 7702.86, 0.00315916/step, 2.2695 hours remaining, 240.722656 MB of memory in use. ENERGY: 2413800 3947.7551 20394.3192 14440.7898 226.3337 -203503.0018 2462.6159 0.0000 0.0000 52174.9640 -109856.2242 299.8502 -162031.1882 -109496.6014 298.7428 -147.8796 -113.9025 760783.4585 16.0641 15.8668 PRESSURE: 2414000 -85.7801 -138.551 -57.3695 -138.551 60.4214 -10.8898 -57.3697 -10.8901 17.8898 GPRESSURE: 2414000 -34.6679 -161.668 -131.025 -12.3791 101.631 48.9777 -1.68133 -1.60673 9.42636 PRESSAVG: 2414000 46.2132 -32.5384 -5.38436 -32.5384 4.3306 -11.8932 -5.38435 -11.8931 8.85478 GPRESSAVG: 2414000 46.9795 -34.1459 -6.09074 -30.76 3.86573 -11.4319 -6.14303 -11.4567 8.44181 TIMING: 2414000 CPU: 7703.5, 0.00317018/step Wall: 7703.5, 0.00317018/step, 2.27725 hours remaining, 240.722656 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: 2414000 3948.1881 20571.3124 14475.0275 216.0746 -203608.3840 2694.0921 0.0000 0.0000 51939.4315 -109764.2578 298.4966 -161703.6893 -109402.3791 298.8462 -2.4897 25.4631 761208.5364 19.7995 19.7624 PRESSURE: 2414200 -163.141 -17.3428 3.421 -17.3433 73.5099 -108.928 3.42126 -108.928 -428.157 GPRESSURE: 2414200 -118.447 39.7797 26.1665 -22.9031 69.1012 -103.424 -123.387 -1.3248 -391.216 PRESSAVG: 2414200 -15.1972 -39.7726 -3.68611 -39.7725 -29.3641 18.0348 -3.68614 18.0348 14.2338 GPRESSAVG: 2414200 -16.7621 -35.4942 -2.8973 -41.2404 -29.2433 20.5816 -3.9443 14.6168 15.1408 TIMING: 2414200 CPU: 7704.13, 0.00317456/step Wall: 7704.13, 0.00317457/step, 2.28022 hours remaining, 240.722656 MB of memory in use. ENERGY: 2414200 3930.0075 20497.1439 14514.8996 272.0193 -203459.3176 2444.7453 0.0000 0.0000 51867.9345 -109932.5676 298.0857 -161800.5021 -109565.3894 297.9914 -172.5959 -146.8538 761651.3907 -10.1092 -10.2882 PRESSURE: 2414400 197.304 -148.202 41.8445 -148.203 -170.153 34.2353 41.8443 34.2351 56.7122 GPRESSURE: 2414400 169.785 -231.444 118.589 -132.415 -66.1012 37.1142 -6.44001 -5.07105 65.6454 PRESSAVG: 2414400 -29.564 7.20195 25.7412 7.20198 7.79158 -26.3126 25.7411 -26.3127 13.2946 GPRESSAVG: 2414400 -29.2035 4.06522 26.9052 8.69133 8.71523 -27.9545 25.1466 -24.2374 11.943 TIMING: 2414400 CPU: 7704.77, 0.00318176/step Wall: 7704.77, 0.00318176/step, 2.28521 hours remaining, 240.722656 MB of memory in use. ENERGY: 2414400 4025.7573 20330.5532 14401.1944 250.2687 -203848.4403 2843.3616 0.0000 0.0000 51992.9249 -110004.3802 298.8041 -161997.3051 -109641.2941 298.3128 27.9542 56.4431 759636.2786 -2.8259 -2.8484 PRESSURE: 2414600 -418.827 99.9389 57.4188 99.9396 -362.314 101.73 57.4185 101.729 -456.332 GPRESSURE: 2414600 -395.613 68.4811 101.841 156.401 -288.038 113.869 -40.8904 -75.6136 -460.684 PRESSAVG: 2414600 35.0083 -32.2215 31.7805 -32.2216 -22.2316 -38.5143 31.7805 -38.5143 -10.4414 GPRESSAVG: 2414600 35.1707 -32.3968 30.121 -33.9184 -22.0649 -39.4784 31.8627 -38.9502 -10.5543 TIMING: 2414600 CPU: 7705.4, 0.00316478/step Wall: 7705.4, 0.00316478/step, 2.27284 hours remaining, 240.722656 MB of memory in use. ENERGY: 2414600 4113.7757 20583.1780 14376.8397 240.7886 -203057.8313 1980.2452 0.0000 0.0000 51831.4679 -109931.5362 297.8762 -161763.0041 -109570.9048 298.3357 -412.4909 -381.4447 761630.0652 0.7784 0.8505 PRESSURE: 2414800 -48.1472 1.06926 -87.1492 1.06877 -229.035 243.838 -87.1486 243.838 111.25 GPRESSURE: 2414800 -3.1476 -64.6059 -112.783 -2.60767 -185.831 190.603 -80.3681 230.631 130.032 PRESSAVG: 2414800 -2.08121 -4.56055 -18.5557 -4.56053 -4.29204 29.2544 -18.5557 29.2544 -4.21472 GPRESSAVG: 2414800 -1.78226 -5.20522 -17.9271 -3.92749 -4.77035 29.9965 -17.0615 28.4687 -4.5393 TIMING: 2414800 CPU: 7706.03, 0.00315387/step Wall: 7706.03, 0.00315387/step, 2.26483 hours remaining, 240.722656 MB of memory in use. ENERGY: 2414800 4009.7819 20478.4941 14531.8164 254.8833 -203824.9524 2466.6965 0.0000 0.0000 51992.0885 -110091.1917 298.7992 -162083.2802 -109722.1969 298.5064 -55.3107 -19.6486 760243.2035 -3.5293 -3.6973 PRESSURE: 2415000 -404.251 -74.0751 272.471 -74.0762 -107.716 66.8629 272.47 66.8623 -349.019 GPRESSURE: 2415000 -338.111 -35.233 359.154 -187.522 -104.578 171.596 41.503 111.634 -322.784 PRESSAVG: 2415000 15.4575 -9.47845 -11.4818 -9.47848 -17.5235 21.1254 -11.4818 21.1254 -1.22045 GPRESSAVG: 2415000 15.7136 -9.13711 -9.96146 -10.5075 -17.835 22.2568 -13.7867 22.0969 -0.797724 TIMING: 2415000 CPU: 7706.66, 0.0031614/step Wall: 7706.66, 0.0031614/step, 2.27006 hours remaining, 240.722656 MB of memory in use. ENERGY: 2415000 3949.1641 20556.7737 14542.3843 243.2690 -203792.2195 2433.5231 0.0000 0.0000 52040.1299 -110026.9753 299.0753 -162067.1052 -109671.7110 298.4902 -286.9951 -255.1575 761289.5529 -1.0955 -0.9731 PRESSURE: 2415200 197.493 70.4683 -182.344 70.467 83.4744 151.45 -182.343 151.449 364.94 GPRESSURE: 2415200 135.472 6.93686 -217.599 91.32 217.619 188.474 -54.6949 93.8716 366.834 PRESSAVG: 2415200 -12.4663 -62.3709 0.0908885 -62.3709 45.473 50.2283 0.0908306 50.2283 7.49559 GPRESSAVG: 2415200 -14.5424 -62.6968 -0.329121 -59.2433 47.486 49.3173 2.53655 48.5965 7.83484 TIMING: 2415200 CPU: 7707.29, 0.00313178/step Wall: 7707.29, 0.00313178/step, 2.24862 hours remaining, 240.722656 MB of memory in use. ENERGY: 2415200 4010.0547 20607.3924 14426.3223 244.2133 -203399.6395 2335.6236 0.0000 0.0000 51993.2058 -109782.8274 298.8057 -161776.0332 -109432.8201 299.1377 215.3026 239.9749 758654.2960 13.5008 13.5928 PRESSURE: 2415400 -53.0021 -302.436 52.983 -302.437 183.295 62.632 52.9836 62.6328 -87.7965 GPRESSURE: 2415400 121.888 -333.648 120.862 -168.63 137.695 59.9901 -75.2 -20.511 -120.895 PRESSAVG: 2415400 1.91497 26.0407 54.5055 26.0407 -11.6439 -8.87673 54.5055 -8.87676 -16.4091 GPRESSAVG: 2415400 4.18946 27.4472 53.6084 25.0094 -13.7961 -8.78492 55.1475 -8.35272 -16.7705 TIMING: 2415400 CPU: 7707.93, 0.00317812/step Wall: 7707.93, 0.00317812/step, 2.28172 hours remaining, 240.722656 MB of memory in use. ENERGY: 2415400 3951.5459 20333.6168 14501.2248 250.6146 -203315.1569 2485.9126 0.0000 0.0000 51713.2223 -110079.0199 297.1966 -161792.2422 -109716.7599 298.8049 14.1656 46.2291 759720.5233 -8.7127 -8.7924 PRESSURE: 2415600 -91.254 -26.0374 114.889 -26.0372 -61.7805 -58.6829 114.889 -58.6839 -221.158 GPRESSURE: 2415600 -126.132 -86.8062 132.683 -28.2034 40.0857 -75.4325 182.916 47.4146 -193.535 PRESSAVG: 2415600 39.1705 -19.0948 16.0329 -19.0947 23.3389 -9.04127 16.0329 -9.04131 3.61047 GPRESSAVG: 2415600 38.7705 -20.3715 16.7103 -19.6867 23.7004 -10.1164 15.0687 -6.46735 3.23807 TIMING: 2415600 CPU: 7708.56, 0.00318607/step Wall: 7708.56, 0.00318607/step, 2.28725 hours remaining, 240.722656 MB of memory in use. ENERGY: 2415600 3977.1062 20546.4928 14520.6112 262.9154 -203606.4866 2458.5017 0.0000 0.0000 52015.1766 -109825.6827 298.9319 -161840.8593 -109475.8071 297.8626 -124.7307 -93.1938 759107.1769 22.0400 21.9030 PRESSURE: 2415800 -64.2634 -77.2259 134.781 -77.2257 -189.357 -2.86099 134.78 -2.8617 -478.241 GPRESSURE: 2415800 -80.1278 20.5668 128.641 -126.687 -77.4543 54.3091 37.6255 -100.847 -483.816 PRESSAVG: 2415800 3.01693 4.05287 9.5354 4.05286 -9.47196 7.09719 9.53545 7.09717 -17.1095 GPRESSAVG: 2415800 2.94677 4.69503 9.48599 2.75885 -8.49822 7.53354 10.5298 6.50573 -18.2479 TIMING: 2415800 CPU: 7709.2, 0.00319177/step Wall: 7709.2, 0.00319177/step, 2.29116 hours remaining, 240.722656 MB of memory in use. ENERGY: 2415800 4052.8620 20551.3871 14495.3716 269.6303 -203396.9302 2381.1570 0.0000 0.0000 51641.3908 -110005.1313 296.7838 -161646.5222 -109651.9327 298.6025 -243.9537 -213.7993 760411.5937 -7.8548 -7.9331 PRESSURE: 2416000 -160.759 106.888 71.1688 106.887 -114.685 72.5068 71.168 72.5062 -187.801 GPRESSURE: 2416000 -94.0054 125.387 96.0734 236.508 -115.259 168.628 -7.61359 61.7448 -176.859 PRESSAVG: 2416000 24.1569 -1.97983 -22.4646 -1.97981 -15.5381 -6.82088 -22.4646 -6.82093 33.0668 GPRESSAVG: 2416000 22.9899 -4.65031 -21.5988 0.540393 -16.455 -6.12832 -25.6088 -9.28863 35.5401 TIMING: 2416000 CPU: 7709.84, 0.00317852/step Wall: 7709.84, 0.00317853/step, 2.28147 hours remaining, 240.722656 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: 2416000 4010.2228 20429.7112 14496.3882 223.9386 -203178.6942 2284.0606 0.0000 0.0000 51642.3649 -110092.0078 296.7894 -161734.3727 -109726.3148 298.0633 -154.4151 -128.7075 761763.6630 13.8952 14.0250 PRESSURE: 2416200 -324.214 75.5693 -162.98 75.5683 -253.826 195.115 -162.981 195.116 -343.059 GPRESSURE: 2416200 -172.314 69.6256 -170.85 66.7887 -241.016 229.749 -142.203 119.514 -424.367 PRESSAVG: 2416200 -37.3064 24.2564 30.5356 24.2564 30.2381 10.0441 30.5356 10.0441 0.217936 GPRESSAVG: 2416200 -35.1983 27.6562 29.1172 21.7751 29.8522 9.09455 33.9992 14.3021 -1.9528 TIMING: 2416200 CPU: 7710.47, 0.00314817/step Wall: 7710.47, 0.00314817/step, 2.25951 hours remaining, 240.722656 MB of memory in use. ENERGY: 2416200 3966.0374 20448.4921 14509.9024 253.0932 -203615.1884 2266.2764 0.0000 0.0000 52108.0997 -110063.2872 299.4660 -162171.3869 -109696.0448 298.1825 -307.0330 -279.2326 759486.6430 -2.2835 -2.4330 LDB: ============= START OF LOAD BALANCING ============== 7722.92 LDB: ============== END OF LOAD BALANCING =============== 7722.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7722.92 LDB: ============= START OF LOAD BALANCING ============== 7723.24 LDB: Largest compute 7044 load 0.034333 is 17.6% of average load 0.195228 LDB: Average compute 0.004411 is 2.3% of average load 0.195228 LDB: TIME 7723.24 LOAD: AVG 0.195228 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.723 MB LDB: TIME 7723.24 LOAD: AVG 0.195228 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.789 MB LDB: TIME 7723.24 LOAD: AVG 0.195228 MAX 0.213187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.789 MB LDB: ============== END OF LOAD BALANCING =============== 7723.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7723.25 PRESSURE: 2416400 26.7076 -28.6115 -61.6546 -28.6122 6.62983 25.1918 -61.6548 25.1904 -72.3673 GPRESSURE: 2416400 60.4956 -138.293 -77.6341 38.4091 63.3734 -15.7823 -104.838 -18.6976 -77.5113 PRESSAVG: 2416400 60.9725 21.1974 4.75749 21.1974 -59.8703 40.3965 4.75751 40.3966 -1.65135 GPRESSAVG: 2416400 60.0349 18.8518 3.86349 23.4157 -59.9215 41.2412 3.75349 38.8495 -0.859205 TIMING: 2416400 CPU: 7711.12, 0.00324083/step Wall: 7711.12, 0.00324083/step, 2.32583 hours remaining, 240.460938 MB of memory in use. ENERGY: 2416400 3959.3659 20654.7974 14435.7882 250.5160 -203929.1080 2687.6655 0.0000 0.0000 52103.5377 -109837.4374 299.4397 -161940.9751 -109478.4451 298.4228 -13.0100 15.4526 759380.5823 -0.1830 -0.2486 PRESSURE: 2416600 -20.1631 -71.4115 -308.597 -71.4114 -32.7726 -251.477 -308.596 -251.477 243.124 GPRESSURE: 2416600 -10.2949 -221.461 -332.905 -50.8261 55.6721 -271.27 -389.28 -115.493 237.914 PRESSAVG: 2416600 18.9173 -43.9649 -8.49336 -43.9648 -31.3071 52.2808 -8.49329 52.2808 12.7277 GPRESSAVG: 2416600 18.5933 -42.6848 -6.52218 -45.3245 -29.454 51.4492 -10.4686 52.9459 11.603 TIMING: 2416600 CPU: 7711.75, 0.00316281/step Wall: 7711.75, 0.00316281/step, 2.26967 hours remaining, 240.460938 MB of memory in use. ENERGY: 2416600 3997.0657 20519.3119 14415.1362 253.5502 -203187.0721 2464.8361 0.0000 0.0000 52127.7444 -109409.4276 299.5789 -161537.1721 -109042.7217 299.3498 63.3960 94.4304 761235.0882 0.1126 0.2474 PRESSURE: 2416800 115.085 -139.097 129.011 -139.097 -105.096 430.286 129.012 430.287 -115.616 GPRESSURE: 2416800 144.455 -230.833 63.9655 -84.7917 -71.0677 394.114 -12.9318 224.5 -85.2713 PRESSAVG: 2416800 41.3193 8.79931 -24.0496 8.79932 -15.9925 7.97063 -24.0497 7.97061 -12.3893 GPRESSAVG: 2416800 40.829 9.31892 -24.648 10.234 -17.0151 8.05315 -21.4156 7.61432 -10.7411 TIMING: 2416800 CPU: 7712.38, 0.0031504/step Wall: 7712.38, 0.0031504/step, 2.26059 hours remaining, 240.460938 MB of memory in use. ENERGY: 2416800 3991.3965 20675.3832 14484.9044 242.5511 -203089.5275 2431.1082 0.0000 0.0000 52139.1209 -109125.0632 299.6442 -161264.1840 -108764.5621 299.7304 -35.2090 -3.9613 759167.4632 4.3125 4.3576 PRESSURE: 2417000 -415.358 8.81201 43.0864 8.81125 196.38 -120.103 43.0857 -120.103 301.861 GPRESSURE: 2417000 -275.869 -142.062 184.393 13.8219 214.543 -147.715 102.652 -111.988 239.664 PRESSAVG: 2417000 19.6011 -39.0219 -21.9963 -39.022 -35.3684 9.17119 -21.9964 9.17122 15.8749 GPRESSAVG: 2417000 20.2063 -39.0442 -22.0766 -40.5079 -36.7258 9.29371 -21.4111 8.25942 16.208 TIMING: 2417000 CPU: 7713.01, 0.00316858/step Wall: 7713.01, 0.00316858/step, 2.27346 hours remaining, 240.460938 MB of memory in use. ENERGY: 2417000 4022.9193 20434.3396 14472.0153 241.5363 -202774.8060 2389.1753 0.0000 0.0000 52355.5932 -108859.2270 300.8883 -161214.8202 -108492.9975 300.4166 27.6276 59.4460 761633.7900 0.0358 -0.1038 PRESSURE: 2417200 -66.7848 -206.961 -59.9418 -206.962 -142.368 1.6622 -59.941 1.66228 730.958 GPRESSURE: 2417200 -28.0727 -214.751 6.34498 -120.279 -86.2309 -17.3647 -65.4249 2.33263 714.111 PRESSAVG: 2417200 -11.8118 -57.5216 -6.12755 -57.5217 -53.6642 29.7284 -6.12753 29.7284 -12.6464 GPRESSAVG: 2417200 -12.1199 -57.9109 -6.46112 -56.4152 -53.0706 29.7311 -6.89479 28.3333 -12.7158 TIMING: 2417200 CPU: 7713.65, 0.0031851/step Wall: 7713.65, 0.0031851/step, 2.28513 hours remaining, 240.460938 MB of memory in use. ENERGY: 2417200 4016.0298 20580.0881 14484.0407 242.3152 -203143.6583 2530.7711 0.0000 0.0000 52450.9959 -108839.4174 301.4366 -161290.4133 -108471.9419 300.8157 173.9353 199.9359 761470.2864 -26.0408 -25.9687 PRESSURE: 2417400 178.389 -221.818 -8.05365 -221.818 47.5576 -36.6878 -8.05369 -36.6885 443.74 GPRESSURE: 2417400 225.479 -143.519 48.0513 -227.98 132.006 -6.57697 -69.443 -21.1777 384.627 PRESSAVG: 2417400 0.608787 -46.5764 14.3579 -46.5764 2.24007 15.267 14.3578 15.267 15.0939 GPRESSAVG: 2417400 0.994112 -45.8371 14.6272 -45.9304 2.35378 14.7191 13.0503 16.375 14.6785 TIMING: 2417400 CPU: 7714.28, 0.00317027/step Wall: 7714.28, 0.00317027/step, 2.27432 hours remaining, 240.460938 MB of memory in use. ENERGY: 2417400 4029.4598 20760.5916 14501.1050 255.3801 -202852.9435 2394.0877 0.0000 0.0000 52116.8631 -108795.4563 299.5163 -160912.3194 -108440.0465 301.1652 223.2289 247.3708 761624.1869 5.9809 6.0088 PRESSURE: 2417600 162.339 41.3233 154.678 41.3231 -162.546 -135.38 154.678 -135.38 78.9156 GPRESSURE: 2417600 292.538 -99.5718 207.379 17.5848 -183.445 -20.0697 204.12 -118.405 72.8509 PRESSAVG: 2417600 4.98838 -35.7925 -22.5322 -35.7925 -15.9364 9.31885 -22.5322 9.31881 26.9924 GPRESSAVG: 2417600 4.13127 -36.9205 -22.7789 -38.2738 -15.9627 9.1457 -21.1495 11.6663 27.5295 TIMING: 2417600 CPU: 7714.93, 0.00321353/step Wall: 7714.93, 0.00321353/step, 2.30517 hours remaining, 240.460938 MB of memory in use. ENERGY: 2417600 3925.8005 20557.9036 14451.8041 237.7622 -203071.1465 2702.0283 0.0000 0.0000 52296.3217 -108899.5262 300.5477 -161195.8479 -108527.5608 300.4156 26.2364 60.6478 762975.4775 5.3481 5.2327 PRESSURE: 2417800 -168.167 -46.6395 219.114 -46.6402 187.301 234.304 219.114 234.304 7.74023 GPRESSURE: 2417800 -155.328 -72.3975 226.113 -138.862 262.182 131.642 195.747 173.828 15.4475 PRESSAVG: 2417800 40.5473 -40.9825 40.584 -40.9825 -18.5824 52.3616 40.584 52.3617 -4.08932 GPRESSAVG: 2417800 40.4196 -40.8687 41.816 -40.4222 -19.1447 52.7168 41.1795 50.8514 -3.36598 TIMING: 2417800 CPU: 7715.56, 0.00316941/step Wall: 7715.56, 0.00316941/step, 2.27335 hours remaining, 240.460938 MB of memory in use. ENERGY: 2417800 3999.6072 20601.9376 14374.8077 222.9972 -203240.8107 2784.9717 0.0000 0.0000 52044.2880 -109212.2012 299.0992 -161256.4892 -108841.7131 300.1964 8.9583 40.7672 763043.0662 5.9585 5.9696 PRESSURE: 2418000 -126.853 -60.1986 -74.2115 -60.1982 -355.254 54.331 -74.2113 54.3311 -204.402 GPRESSURE: 2418000 -118.453 -69.6697 -15.874 70.2235 -312.395 82.4219 17.5578 -45.3294 -152.292 PRESSAVG: 2418000 23.3503 -67.0352 -7.64681 -67.0352 -21.5424 21.8179 -7.64677 21.8179 14.8339 GPRESSAVG: 2418000 22.586 -64.6454 -7.96774 -65.6383 -20.7416 22.008 -7.97216 21.5624 14.2915 TIMING: 2418000 CPU: 7716.19, 0.00315891/step Wall: 7716.19, 0.00315891/step, 2.26564 hours remaining, 240.460938 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: 2418000 3935.8172 20537.7216 14481.0436 237.5167 -202645.9124 2005.8679 0.0000 0.0000 52293.8344 -109154.1109 300.5334 -161447.9454 -108784.3821 299.9158 -228.8366 -194.3801 762159.8498 5.5473 5.3786 PRESSURE: 2418200 50.441 -19.4609 76.5509 -19.4608 -305.708 38.2962 76.5517 38.2961 -142.011 GPRESSURE: 2418200 49.3669 35.5081 63.3124 40.0171 -274.467 0.10957 105.06 71.7848 -83.4992 PRESSAVG: 2418200 -2.34428 -44.4152 -15.6645 -44.4152 -20.1826 29.602 -15.6645 29.6019 -19.94 GPRESSAVG: 2418200 -1.80683 -44.5142 -15.7914 -45.8117 -18.6866 28.1988 -15.9377 29.0601 -21.8899 TIMING: 2418200 CPU: 7716.82, 0.00314496/step Wall: 7716.82, 0.00314496/step, 2.25546 hours remaining, 240.460938 MB of memory in use. ENERGY: 2418200 4030.0967 20557.7316 14531.5319 258.0636 -202929.3087 2181.6851 0.0000 0.0000 52253.2093 -109116.9906 300.2999 -161370.1999 -108759.8342 300.3322 -132.4257 -102.8664 761419.9145 -14.1556 -14.1278 PRESSURE: 2418400 -126.746 -12.5315 94.4966 -12.531 110.772 84.962 94.4962 84.9607 -248.952 GPRESSURE: 2418400 -20.7636 22.1034 177.215 -46.0305 63.8939 85.5953 44.7903 138.854 -231.218 PRESSAVG: 2418400 -4.48365 -23.7686 -26.615 -23.7686 -29.2729 80.1871 -26.615 80.187 4.87056 GPRESSAVG: 2418400 -4.26895 -24.9464 -24.8326 -23.9462 -30.1387 82.0838 -27.0508 80.9393 5.75408 TIMING: 2418400 CPU: 7717.45, 0.00315458/step Wall: 7717.45, 0.00315458/step, 2.26219 hours remaining, 240.460938 MB of memory in use. ENERGY: 2418400 4020.7825 20453.1128 14535.7503 262.8259 -203109.8879 2508.0601 0.0000 0.0000 51951.9088 -109377.4475 298.5683 -161329.3564 -109009.8116 299.8398 -88.3086 -62.6958 763287.3956 -9.6287 -9.5512 PRESSURE: 2418600 318.871 -161.835 -49.3919 -161.835 -84.6741 -116.552 -49.3917 -116.554 148.202 GPRESSURE: 2418600 257.9 -87.4348 -54.5233 -186.092 110.625 -200.342 39.9434 -11.8466 123.031 PRESSAVG: 2418600 15.2336 -42.8265 -24.2607 -42.8265 -23.2637 34.8558 -24.2607 34.8558 1.23723 GPRESSAVG: 2418600 15.0434 -44.5174 -25.2983 -41.8095 -22.2128 33.1148 -24.0409 35.8851 1.04217 TIMING: 2418600 CPU: 7718.08, 0.00316281/step Wall: 7718.08, 0.00316281/step, 2.26791 hours remaining, 240.460938 MB of memory in use. ENERGY: 2418600 4035.6729 20587.7295 14504.2084 233.6408 -203352.6433 2546.4918 0.0000 0.0000 51959.3113 -109485.5885 298.6109 -161444.8998 -109133.9008 299.5662 127.4664 163.8518 760644.5606 -2.2643 -2.0424 PRESSURE: 2418800 -297.537 -298.311 -18.7172 -298.311 -486.02 80.5464 -18.7178 80.5465 -460.067 GPRESSURE: 2418800 -252.632 -242.294 26.2937 -119.436 -418.159 86.1354 -73.5545 95.4581 -466.472 PRESSAVG: 2418800 -33.562 -30.2207 -43.964 -30.2207 34.6668 39.5593 -43.964 39.5593 1.1649 GPRESSAVG: 2418800 -33.4356 -30.5916 -43.9077 -31.9137 34.1391 40.2875 -43.8714 38.4862 1.7093 TIMING: 2418800 CPU: 7718.72, 0.00319416/step Wall: 7718.72, 0.00319416/step, 2.29021 hours remaining, 240.460938 MB of memory in use. ENERGY: 2418800 3997.9819 20376.4344 14490.1375 238.0932 -202850.3460 2011.1603 0.0000 0.0000 51964.8173 -109771.7214 298.6425 -161736.5387 -109408.6573 299.4346 -414.5410 -379.0876 761640.9275 0.7566 0.8043 PRESSURE: 2419000 -180.133 79.7467 -92.8376 79.7472 -181.799 -100.152 -92.8373 -100.151 166.503 GPRESSURE: 2419000 -74.0516 -0.581441 -230.805 73.3659 -139.642 -75.8322 -93.2889 27.2472 116.841 PRESSAVG: 2419000 -25.2986 -51.6657 -32.8326 -51.6657 -7.10397 24.33 -32.8325 24.3301 -3.22543 GPRESSAVG: 2419000 -23.4726 -50.4432 -33.6049 -50.2312 -7.66762 25.7025 -34.0099 22.8163 -4.37095 TIMING: 2419000 CPU: 7719.36, 0.00316286/step Wall: 7719.36, 0.00316286/step, 2.26759 hours remaining, 240.460938 MB of memory in use. ENERGY: 2419000 3885.4096 20298.5937 14490.7891 243.3330 -203232.7060 2348.2065 0.0000 0.0000 52022.0703 -109944.3038 298.9716 -161966.3741 -109577.4487 298.2288 -65.1427 -32.2842 760836.5952 -11.8760 -11.8371 PRESSURE: 2419200 56.8362 45.82 102.193 45.8198 -206.362 252.797 102.193 252.797 -25.2829 GPRESSURE: 2419200 86.8111 79.8415 39.7617 -9.18151 -229.014 196.38 118.432 248.269 53.3692 PRESSAVG: 2419200 0.63352 -59.1341 9.41931 -59.134 4.50942 9.42264 9.41931 9.42266 16.998 GPRESSAVG: 2419200 -1.85969 -56.9257 9.82194 -59.0882 5.89124 8.92687 9.15965 9.23924 17.9523 TIMING: 2419200 CPU: 7719.99, 0.00315778/step Wall: 7719.99, 0.00315778/step, 2.26378 hours remaining, 240.460938 MB of memory in use. ENERGY: 2419200 3909.4859 20393.3464 14442.8247 229.5576 -202945.3913 2329.5659 0.0000 0.0000 51907.9725 -109732.6383 298.3158 -161640.6108 -109376.1543 298.1862 -58.2695 -29.6112 762073.9094 7.3803 7.3279 PRESSURE: 2419400 -18.0274 -34.0876 151.021 -34.0869 -520.915 -155.361 151.02 -155.36 -36.279 GPRESSURE: 2419400 14.5701 -103.07 258.75 -15.4553 -404.03 -193.568 131.125 -175.478 -101.362 PRESSAVG: 2419400 -33.8328 -62.7927 -1.46006 -62.7928 32.2561 19.9538 -1.46013 19.9539 2.11215 GPRESSAVG: 2419400 -33.0047 -65.5749 -0.198743 -63.4292 30.6661 19.1855 0.947276 18.8817 2.57447 TIMING: 2419400 CPU: 7720.62, 0.00316863/step Wall: 7720.62, 0.00316863/step, 2.27138 hours remaining, 240.460938 MB of memory in use. ENERGY: 2419400 3935.2077 20325.6147 14480.1388 260.0669 -203146.6556 2508.8677 0.0000 0.0000 52121.0999 -109515.6600 299.5407 -161636.7599 -109155.7296 298.6730 -191.7405 -163.6073 760792.7483 0.1785 0.0786 PRESSURE: 2419600 80.2494 163.874 72.7088 163.874 114.305 -67.7267 72.7089 -67.7257 57.5889 GPRESSURE: 2419600 69.8744 215.246 77.142 172.44 171.59 10.1597 65.6008 -210.183 103.132 PRESSAVG: 2419600 -11.6555 -15.7442 -8.20529 -15.7442 35.3818 -8.22483 -8.20525 -8.22477 28.3649 GPRESSAVG: 2419600 -12.1442 -17.6676 -8.92821 -15.8837 35.748 -8.91233 -9.89811 -6.42303 28.5546 TIMING: 2419600 CPU: 7721.25, 0.00316111/step Wall: 7721.25, 0.00316111/step, 2.26581 hours remaining, 240.460938 MB of memory in use. ENERGY: 2419600 4015.6406 20540.9927 14493.3004 267.5776 -203435.4321 2487.9310 0.0000 0.0000 52155.4876 -109474.5022 299.7383 -161629.9898 -109126.8303 298.7823 84.0476 114.8655 760810.0772 17.3638 17.3861 PRESSURE: 2419800 173.512 -2.1078 -158.947 -2.10777 43.3554 8.94555 -158.947 8.94509 119.947 GPRESSURE: 2419800 129.964 -81.699 -113.366 58.6607 125.645 43.5186 -250.778 29.2939 182.56 PRESSAVG: 2419800 -33.2895 -13.8528 -78.5001 -13.8527 27.1733 -15.9348 -78.5001 -15.9349 5.72303 GPRESSAVG: 2419800 -33.9335 -13.4302 -79.0427 -11.7234 28.1112 -15.246 -77.5384 -15.6586 5.30673 TIMING: 2419800 CPU: 7721.89, 0.00317685/step Wall: 7721.89, 0.00317685/step, 2.27692 hours remaining, 240.460938 MB of memory in use. ENERGY: 2419800 4018.0407 20466.9822 14508.1570 257.1388 -203533.4828 2588.1632 0.0000 0.0000 52235.4200 -109459.5809 300.1977 -161695.0008 -109102.0005 300.2469 112.2714 146.0566 760152.1186 -0.1311 -0.1719 PRESSURE: 2420000 -354.966 -45.9732 -118.001 -45.9741 -534.194 104.699 -118.001 104.698 110.928 GPRESSURE: 2420000 -301.123 -69.8176 -77.4086 -43.0326 -473.948 96.6679 -184.49 177.039 57.7012 PRESSAVG: 2420000 17.4651 3.99756 17.7617 3.99762 4.94897 -5.01545 17.7617 -5.01544 6.95571 GPRESSAVG: 2420000 16.8159 6.30913 19.1754 0.83559 4.84632 -4.15262 15.8811 -5.11123 7.04552 TIMING: 2420000 CPU: 7722.52, 0.00315756/step Wall: 7722.52, 0.00315756/step, 2.26292 hours remaining, 240.460938 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: 2420000 4039.0396 20525.3544 14465.9679 238.2113 -202735.8993 2098.9703 0.0000 0.0000 51954.1492 -109414.2066 298.5812 -161368.3558 -109044.9875 299.6881 -259.4106 -239.1230 761444.8491 9.7899 9.5693 PRESSURE: 2420200 -329.569 90.1807 31.0125 90.181 -428.465 -34.4227 31.0123 -34.4227 -336.514 GPRESSURE: 2420200 -265.011 203.622 24.0046 39.0098 -395.075 54.4503 99.4653 -6.78154 -329.747 PRESSAVG: 2420200 22.316 -59.6351 21.5706 -59.635 -44.8274 12.9519 21.5706 12.952 15.1566 GPRESSAVG: 2420200 23.321 -60.6287 19.7333 -58.1516 -46.5928 13.4063 23.4499 10.2622 16.1336 TIMING: 2420200 CPU: 7723.15, 0.00317327/step Wall: 7723.15, 0.00317327/step, 2.274 hours remaining, 240.460938 MB of memory in use. ENERGY: 2420200 4028.9902 20583.4218 14465.4536 245.8191 -202799.6071 2031.8990 0.0000 0.0000 52176.1324 -109267.8910 299.8569 -161444.0234 -108900.4065 300.1167 -364.8494 -329.9441 761050.4641 -2.4516 -2.3794 LDB: ============= START OF LOAD BALANCING ============== 7735.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7735.61 LDB: =============== DONE WITH MIGRATION ================ 7735.61 LDB: ============= START OF LOAD BALANCING ============== 7735.93 LDB: Largest compute 7026 load 0.035499 is 18.2% of average load 0.195156 LDB: Average compute 0.004421 is 2.3% of average load 0.195156 LDB: TIME 7735.93 LOAD: AVG 0.195156 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.746 MB LDB: TIME 7735.93 LOAD: AVG 0.195156 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.75 MB LDB: TIME 7735.93 LOAD: AVG 0.195156 MAX 0.215553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.75 MB LDB: ============== END OF LOAD BALANCING =============== 7735.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7735.94 PRESSURE: 2420400 176.24 -76.0398 53.2529 -76.0397 47.5232 -105.452 53.2534 -105.452 -109.182 GPRESSURE: 2420400 148.71 -89.1974 95.5251 8.17707 44.0533 -75.4944 -2.56153 -208.569 -1.23793 PRESSAVG: 2420400 76.8233 -8.41485 -8.10608 -8.41479 -53.3049 32.9916 -8.106 32.9915 -2.8535 GPRESSAVG: 2420400 77.8617 -9.09126 -5.47479 -7.99422 -52.8437 33.6349 -8.6051 34.9858 -4.23669 TIMING: 2420400 CPU: 7723.8, 0.00322856/step Wall: 7723.8, 0.00322856/step, 2.31345 hours remaining, 241.863281 MB of memory in use. ENERGY: 2420400 4005.4756 20627.7903 14428.5105 237.0135 -203367.0962 2574.2220 0.0000 0.0000 52177.6282 -109316.4561 299.8655 -161494.0843 -108961.6186 300.0348 38.1936 63.8416 760587.7205 6.8883 6.9271 PRESSURE: 2420600 83.6092 53.7112 23.7092 53.7113 98.9899 -85.258 23.7086 -85.2576 -388.543 GPRESSURE: 2420600 111.466 62.7765 -95.5957 71.4238 96.6888 -1.8329 149.529 -118.745 -350.495 PRESSAVG: 2420600 -6.79908 -12.5933 12.8558 -12.5933 18.036 55.0136 12.8558 55.0137 18.0702 GPRESSAVG: 2420600 -8.47551 -10.7959 10.0825 -13.2843 19.5327 54.591 12.7681 54.4079 18.781 TIMING: 2420600 CPU: 7724.43, 0.00315971/step Wall: 7724.43, 0.00315971/step, 2.26393 hours remaining, 241.929688 MB of memory in use. ENERGY: 2420600 3988.9870 20451.6679 14514.2877 244.3838 -203199.5416 2423.0965 0.0000 0.0000 52031.7628 -109545.3560 299.0273 -161577.1187 -109185.5224 299.8419 -68.6479 -47.4468 760997.1703 9.7690 9.9461 PRESSURE: 2420800 51.5102 -80.1884 11.5313 -80.1884 174.886 253.504 11.5315 253.505 179.612 GPRESSURE: 2420800 11.6629 -151.486 71.4028 -10.8664 313.169 239.61 29.9406 318.781 155.235 PRESSAVG: 2420800 -101.597 -19.2678 3.43499 -19.2678 96.3395 31.0697 3.435 31.0697 -26.9451 GPRESSAVG: 2420800 -100.482 -19.6192 4.17536 -17.9235 96.9565 29.8594 4.63133 31.9322 -28.3783 TIMING: 2420800 CPU: 7725.06, 0.00316331/step Wall: 7725.06, 0.00316331/step, 2.26634 hours remaining, 241.929688 MB of memory in use. ENERGY: 2420800 4004.1115 20548.8532 14570.4081 253.3157 -203249.1211 2421.1141 0.0000 0.0000 51810.8551 -109640.4633 297.7577 -161451.3185 -109290.9880 299.1958 135.3360 160.0223 761266.9696 -10.7341 -10.6347 PRESSURE: 2421000 89.7669 -192.368 -172.794 -192.367 -99.0334 34.2824 -172.795 34.2825 37.7453 GPRESSURE: 2421000 24.5359 -195.275 -197.021 -253.581 -75.0492 41.8184 -195.169 -9.52974 172.69 PRESSAVG: 2421000 -28.3705 -49.0678 -4.54406 -49.0677 13.6104 13.658 -4.54409 13.6581 4.81725 GPRESSAVG: 2421000 -28.0817 -48.6289 -5.58772 -50.5483 12.3411 14.6135 -5.05717 12.6966 5.67012 TIMING: 2421000 CPU: 7725.7, 0.00317321/step Wall: 7725.7, 0.00317321/step, 2.27325 hours remaining, 241.929688 MB of memory in use. ENERGY: 2421000 3972.3332 20451.7771 14483.6763 258.2319 -203488.8646 2443.3567 0.0000 0.0000 52088.6365 -109790.8529 299.3541 -161879.4894 -109424.6110 298.8350 9.4929 40.7255 761577.9637 -3.3143 -3.3568 PRESSURE: 2421200 -381.617 -0.352304 -171.525 -0.351934 20.9575 172.339 -171.525 172.338 116.056 GPRESSURE: 2421200 -283.95 38.4684 -172.793 -35.007 29.0677 113.757 -138.69 58.1321 102.072 PRESSAVG: 2421200 41.6378 -97.0638 -22.715 -97.0638 -38.7279 15.1698 -22.715 15.1697 20.9519 GPRESSAVG: 2421200 41.738 -100.07 -23.0924 -97.064 -38.777 14.1023 -21.5272 14.2895 20.84 TIMING: 2421200 CPU: 7726.33, 0.00315828/step Wall: 7726.33, 0.00315828/step, 2.26238 hours remaining, 241.929688 MB of memory in use. ENERGY: 2421200 4006.6026 20408.7411 14417.7298 238.5018 -203856.4861 2626.6885 0.0000 0.0000 52268.4512 -109889.7711 300.3875 -162158.2223 -109524.3966 298.4136 -81.5347 -50.9368 761934.5389 7.9539 7.9337 PRESSURE: 2421400 71.3369 -96.8049 166.881 -96.8048 -19.6743 -12.082 166.881 -12.081 -73.4389 GPRESSURE: 2421400 96.1994 -64.7405 223.535 23.9599 27.1703 -73.9538 185.425 -60.8429 -50.712 PRESSAVG: 2421400 22.3619 -102.355 -49.4748 -102.355 -4.93414 -75.3635 -49.4748 -75.3635 -23.8774 GPRESSAVG: 2421400 22.3032 -99.4344 -47.4964 -103.653 -5.14411 -76.054 -51.0061 -72.8606 -23.3608 TIMING: 2421400 CPU: 7726.97, 0.00317275/step Wall: 7726.97, 0.00317275/step, 2.27257 hours remaining, 241.929688 MB of memory in use. ENERGY: 2421400 3946.6568 20513.4529 14502.8425 252.3049 -204014.4744 2897.9286 0.0000 0.0000 51823.1034 -110078.1854 297.8281 -161901.2888 -109720.9704 297.8515 -7.2588 24.2192 761960.6786 -2.1499 -2.0672 PRESSURE: 2421600 -81.268 93.525 93.1578 93.5252 124.568 -352.284 93.1573 -352.284 2.65944 GPRESSURE: 2421600 3.04356 58.5095 67.7142 -69.0575 143.466 -333.522 21.6822 -429.52 -0.835917 PRESSAVG: 2421600 -34.6289 -4.91064 -65.5561 -4.91069 26.421 14.4528 -65.5562 14.4527 -3.99771 GPRESSAVG: 2421600 -34.0101 -6.43499 -65.255 -2.74573 27.1243 13.9494 -65.7694 11.5514 -5.86442 TIMING: 2421600 CPU: 7727.6, 0.00318129/step Wall: 7727.6, 0.00318129/step, 2.27851 hours remaining, 241.929688 MB of memory in use. ENERGY: 2421600 4049.7246 20384.3625 14473.6244 225.3432 -203620.4650 2783.8350 0.0000 0.0000 51580.7429 -110122.8324 296.4352 -161703.5752 -109764.0200 297.9745 15.3197 48.5580 764837.8808 -4.0685 -4.2501 PRESSURE: 2421800 -213.452 -151.607 -64.8675 -151.607 279.783 -113.469 -64.8674 -113.47 -268.46 GPRESSURE: 2421800 -114.626 -186.811 -47.5387 -217.02 200.809 -72.3254 86.9151 -114.96 -210.613 PRESSAVG: 2421800 7.35606 -24.3525 19.2816 -24.3525 -23.4893 -28.2431 19.2815 -28.2431 11.2103 GPRESSAVG: 2421800 6.04486 -22.7324 16.9141 -24.4324 -24.0952 -27.8042 20.3332 -28.2196 13.1371 TIMING: 2421800 CPU: 7728.23, 0.00316125/step Wall: 7728.23, 0.00316125/step, 2.26398 hours remaining, 241.929688 MB of memory in use. ENERGY: 2421800 3956.2537 20516.7645 14530.3468 239.8537 -203978.3062 2784.4437 0.0000 0.0000 51782.2212 -110168.4227 297.5931 -161950.6439 -109810.0461 297.6627 -67.3764 -41.4768 762688.3124 -1.6410 -1.6378 PRESSURE: 2422000 -27.4467 25.3197 -111.603 25.3194 159.559 -215.899 -111.602 -215.9 -6.79239 GPRESSURE: 2422000 142.907 -80.4612 -43.7399 -50.6041 27.149 -234.486 -26.2231 -105.599 36.6468 PRESSAVG: 2422000 16.0563 -30.1898 28.8307 -30.1899 -9.92596 2.973 28.8307 2.97303 7.68807 GPRESSAVG: 2422000 16.8423 -32.607 29.5805 -31.4884 -9.61389 3.83811 30.8607 4.55129 6.52546 TIMING: 2422000 CPU: 7728.87, 0.00315629/step Wall: 7728.87, 0.00315629/step, 2.26026 hours remaining, 241.929688 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: 2422000 3966.2112 20640.3194 14485.8170 256.8366 -203736.6614 2670.1292 0.0000 0.0000 51935.0594 -109782.2887 298.4715 -161717.3481 -109428.4033 298.2811 41.7732 68.9008 760346.2956 4.6061 4.5846 PRESSURE: 2422200 -191.718 -177.268 -72.2878 -177.267 -112.364 47.7098 -72.2875 47.7098 273.666 GPRESSURE: 2422200 -140.14 -277.314 -70.3524 -112.459 -113.409 9.99239 -53.5798 -25.407 322.663 PRESSAVG: 2422200 83.7725 -87.0079 9.75223 -87.0078 -45.9509 33.8155 9.75226 33.8155 1.18836 GPRESSAVG: 2422200 83.9105 -87.6508 11.368 -83.8278 -46.456 32.3479 8.10789 35.6014 1.68593 TIMING: 2422200 CPU: 7729.5, 0.00317351/step Wall: 7729.5, 0.00317351/step, 2.27241 hours remaining, 241.929688 MB of memory in use. ENERGY: 2422200 3958.4607 20366.6254 14495.8753 232.3740 -203535.4081 2552.1944 0.0000 0.0000 52078.8310 -109851.0474 299.2978 -161929.8783 -109480.0976 298.1516 -10.1387 23.0381 761293.0501 13.0033 13.0468 PRESSURE: 2422400 -483.582 71.6633 -70.8972 71.6626 -84.4076 -14.8176 -70.8981 -14.8176 -60.1958 GPRESSURE: 2422400 -502.833 98.4886 -89.2826 156.804 24.4138 -63.4339 -93.0668 -39.1222 -65.2 PRESSAVG: 2422400 17.3085 -23.1788 -12.4258 -23.1788 -1.442 39.1491 -12.4257 39.1491 8.12414 GPRESSAVG: 2422400 15.9817 -21.7716 -12.7671 -25.2711 -1.23564 40.0813 -13.7984 38.4597 9.22606 TIMING: 2422400 CPU: 7730.14, 0.00318511/step Wall: 7730.14, 0.00318511/step, 2.28054 hours remaining, 241.929688 MB of memory in use. ENERGY: 2422400 3976.4878 20445.0322 14466.9922 256.7276 -203816.4388 2844.4191 0.0000 0.0000 51960.0731 -109866.7068 298.6153 -161826.7799 -109492.4863 298.3115 -209.3950 -181.2064 761102.5708 7.9969 7.9907 PRESSURE: 2422600 -281.158 -70.4694 -80.4835 -70.4693 -90.8767 -55.5095 -80.4827 -55.5087 -301.157 GPRESSURE: 2422600 -141.568 -45.1799 -109.037 -115.427 -113.096 55.0985 -156.859 65.6925 -350.764 PRESSAVG: 2422600 -24.5829 -15.3039 -32.9898 -15.3039 9.67982 67.7908 -32.9899 67.7908 2.41286 GPRESSAVG: 2422600 -22.4484 -13.1959 -33.8476 -15.9146 9.49863 69.681 -31.8422 67.2663 0.298504 TIMING: 2422600 CPU: 7730.78, 0.00320232/step Wall: 7730.78, 0.00320231/step, 2.29268 hours remaining, 241.929688 MB of memory in use. ENERGY: 2422600 4000.7501 20443.1440 14434.9687 249.4263 -203349.4327 2577.2233 0.0000 0.0000 51799.8421 -109844.0781 297.6944 -161643.9203 -109492.2957 298.2006 -224.3972 -201.8091 764381.2977 -4.1634 -4.2171 PRESSURE: 2422800 152.567 -82.02 -305.059 -82.0186 7.09304 -108.434 -305.059 -108.435 -398.561 GPRESSURE: 2422800 275.482 -177.972 -128.969 -123.729 14.9254 -86.4554 -384.415 -82.8726 -437.054 PRESSAVG: 2422800 -11.3045 -20.917 -35.6244 -20.9171 -9.31181 7.41599 -35.6244 7.41602 -21.4438 GPRESSAVG: 2422800 -12.7473 -22.1482 -35.3162 -22.0005 -9.48787 6.02803 -36.8271 8.77926 -19.3332 TIMING: 2422800 CPU: 7731.41, 0.00317867/step Wall: 7731.41, 0.00317867/step, 2.27557 hours remaining, 241.929688 MB of memory in use. ENERGY: 2422800 4085.6464 20446.7137 14424.0731 251.4428 -203234.3482 2645.8507 0.0000 0.0000 51609.4814 -109771.1402 296.6004 -161380.6215 -109402.3788 298.0560 -79.6338 -48.8823 763298.8917 -14.0200 -13.8561 PRESSURE: 2423000 -240.164 -226.866 -32.4226 -226.865 -145.912 -70.5923 -32.4221 -70.5924 235.863 GPRESSURE: 2423000 -124.597 -83.3017 -85.3537 -137.501 -164.608 -67.1418 -70.053 -35.2721 225.665 PRESSAVG: 2423000 -22.9478 -36.5895 -6.91056 -36.5895 9.42049 53.4568 -6.91055 53.4568 -22.6009 GPRESSAVG: 2423000 -22.0976 -36.9574 -7.03031 -34.2556 8.85928 54.2041 -6.43414 52.2846 -22.5615 TIMING: 2423000 CPU: 7732.05, 0.00317466/step Wall: 7732.05, 0.00317466/step, 2.27253 hours remaining, 241.929688 MB of memory in use. ENERGY: 2423000 3959.6295 20627.5424 14470.5287 235.2395 -203349.1648 2428.7704 0.0000 0.0000 52098.4104 -109529.0439 299.4103 -161627.4543 -109173.3386 299.0873 -50.0708 -21.1803 761897.6516 -12.0427 -11.9333 PRESSURE: 2423200 172.033 -101.842 24.3705 -101.843 -380.96 -160.211 24.3708 -160.212 -83.6809 GPRESSURE: 2423200 154.412 -110.339 42.0376 -36.7744 -324.466 -172.522 -33.5132 -102.314 -38.5338 PRESSAVG: 2423200 -23.1431 -26.3792 -50.9868 -26.3792 -0.447673 -43.254 -50.9867 -43.2541 3.06177 GPRESSAVG: 2423200 -23.7872 -26.2176 -52.6404 -24.6348 1.18855 -43.6505 -51.8086 -42.5837 1.79628 TIMING: 2423200 CPU: 7732.68, 0.00316846/step Wall: 7732.68, 0.00316846/step, 2.26791 hours remaining, 241.929688 MB of memory in use. ENERGY: 2423200 4047.6109 20577.2245 14465.5432 265.4877 -203498.1413 2515.6147 0.0000 0.0000 52122.6651 -109503.9952 299.5497 -161626.6603 -109144.6432 298.8060 -97.5358 -69.5293 762771.7967 -6.8430 -6.9341 PRESSURE: 2423400 121.713 259.367 -189.738 259.368 -216.577 30.1594 -189.738 30.1589 -357.06 GPRESSURE: 2423400 147.38 178.729 -124.825 150.177 -227.681 43.3272 -165.177 103.688 -283.939 PRESSAVG: 2423400 -5.93707 16.2228 -36.4344 16.2228 33.2974 -8.18778 -36.4345 -8.18778 -5.32624 GPRESSAVG: 2423400 -5.01725 16.3976 -34.8967 13.762 31.911 -10.9784 -35.3934 -7.11393 -4.30324 TIMING: 2423400 CPU: 7733.32, 0.00316682/step Wall: 7733.32, 0.00316682/step, 2.26656 hours remaining, 241.929688 MB of memory in use. ENERGY: 2423400 3993.7618 20524.4822 14506.3793 249.3098 -203316.7532 2331.8537 0.0000 0.0000 52039.8895 -109671.0769 299.0740 -161710.9664 -109305.3273 299.4893 -150.6410 -121.4133 760852.1569 7.3447 7.5302 PRESSURE: 2423600 89.1217 62.3159 170.809 62.3157 -191.312 -98.1122 170.81 -98.1128 -170.379 GPRESSURE: 2423600 80.7891 14.278 133.211 130.808 -88.8512 -0.452077 197.58 -8.55377 -161.012 PRESSAVG: 2423600 49.2156 -22.3047 14.6828 -22.3047 -22.972 11.7167 14.6828 11.7167 -4.34185 GPRESSAVG: 2423600 48.8256 -22.5781 15.0781 -22.6174 -20.5492 13.6356 11.955 10.3552 -6.02475 TIMING: 2423600 CPU: 7733.95, 0.003167/step Wall: 7733.95, 0.003167/step, 2.26652 hours remaining, 241.929688 MB of memory in use. ENERGY: 2423600 3939.3708 20451.6774 14453.1757 251.5122 -203368.2346 2433.3728 0.0000 0.0000 52119.4168 -109719.7088 299.5310 -161839.1256 -109350.0643 298.9785 -90.8563 -56.3579 761520.4493 7.3006 7.4172 PRESSURE: 2423800 233.331 -132.112 -152.239 -132.113 193.622 -140.31 -152.238 -140.308 489.135 GPRESSURE: 2423800 260.618 -49.2472 -122.253 -137.228 267.795 -199.684 -70.4852 -228.319 483.402 PRESSAVG: 2423800 50.2893 -56.0025 12.3619 -56.0026 -13.2829 4.59448 12.3619 4.59451 -2.10924 GPRESSAVG: 2423800 49.106 -55.0353 11.3557 -54.9566 -13.2675 3.59492 14.8179 5.78157 -0.373372 TIMING: 2423800 CPU: 7734.58, 0.00317754/step Wall: 7734.58, 0.00317754/step, 2.27388 hours remaining, 241.929688 MB of memory in use. ENERGY: 2423800 3917.9029 20496.6428 14551.3416 245.7659 -203266.5539 2613.7211 0.0000 0.0000 51745.7705 -109695.4092 297.3837 -161441.1797 -109330.1949 298.9256 305.3626 337.2717 760774.9378 11.6324 11.8217 PRESSURE: 2424000 -21.5205 -227.981 266.414 -227.98 43.1007 144.678 266.414 144.678 -47.7089 GPRESSURE: 2424000 -25.9436 -150.512 124.545 -188.965 56.9495 160.047 217.263 255.612 15.7957 PRESSAVG: 2424000 48.7574 -72.6834 59.0538 -72.6833 -74.5843 12.178 59.0539 12.178 18.7783 GPRESSAVG: 2424000 49.621 -71.6813 59.7249 -75.5614 -75.3627 12.8779 60.1871 12.5806 18.5598 TIMING: 2424000 CPU: 7735.22, 0.00315548/step Wall: 7735.22, 0.00315548/step, 2.25792 hours remaining, 241.929688 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: 2424000 3893.6724 20483.7968 14390.8078 247.1655 -203263.5107 2447.6734 0.0000 0.0000 51951.2078 -109849.1871 298.5643 -161800.3949 -109486.0656 298.2415 -8.7096 15.6005 760681.7952 -2.3495 -2.3940 PRESSURE: 2424200 -49.145 -129.508 -188.092 -129.508 -176.229 -40.1299 -188.092 -40.1297 75.1313 GPRESSURE: 2424200 74.2968 1.52218 -122.377 -218.875 -306.795 -56.362 -204.164 -42.5892 152.249 PRESSAVG: 2424200 37.8459 -47.9262 3.46689 -47.9261 -58.4733 16.8652 3.46684 16.8652 9.63628 GPRESSAVG: 2424200 39.1106 -48.5908 1.952 -46.2726 -60.1755 16.7839 2.94419 17.4486 9.74262 TIMING: 2424200 CPU: 7735.85, 0.00317093/step Wall: 7735.85, 0.00317093/step, 2.2688 hours remaining, 241.929688 MB of memory in use. ENERGY: 2424200 4022.1246 20410.2989 14515.5034 241.9712 -203968.8608 2747.1277 0.0000 0.0000 52208.8537 -109822.9813 300.0450 -162031.8350 -109451.7083 298.8858 -50.0809 -26.7500 759832.7837 -3.6637 -3.7741 LDB: ============= START OF LOAD BALANCING ============== 7748.3 LDB: ============== END OF LOAD BALANCING =============== 7748.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7748.3 LDB: ============= START OF LOAD BALANCING ============== 7748.62 LDB: Largest compute 7025 load 0.036049 is 18.5% of average load 0.195216 LDB: Average compute 0.004413 is 2.3% of average load 0.195216 LDB: TIME 7748.63 LOAD: AVG 0.195216 MAX 0.212846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.031 MB LDB: TIME 7748.63 LOAD: AVG 0.195216 MAX 0.212846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.125 MB LDB: TIME 7748.63 LOAD: AVG 0.195216 MAX 0.212846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.125 MB LDB: ============== END OF LOAD BALANCING =============== 7748.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7748.63 PRESSURE: 2424400 -256.657 4.14436 -247.961 4.14464 -158.502 16.8705 -247.961 16.8702 -435.714 GPRESSURE: 2424400 -184.507 -1.93861 -208.597 -33.8999 -140.775 27.0734 -143.744 -43.2308 -447.113 PRESSAVG: 2424400 54.238 -61.8232 -10.3119 -61.8232 -52.1862 -38.4603 -10.3119 -38.4602 -18.6211 GPRESSAVG: 2424400 54.1933 -62.8089 -9.42292 -60.4327 -51.1125 -36.931 -9.72633 -41.0175 -19.6128 TIMING: 2424400 CPU: 7736.5, 0.00324293/step Wall: 7736.5, 0.00324294/step, 2.32014 hours remaining, 239.894531 MB of memory in use. ENERGY: 2424400 4047.6917 20533.1038 14454.1424 243.2588 -203439.3008 2420.7936 0.0000 0.0000 51981.4925 -109758.8180 298.7384 -161740.3105 -109387.7769 298.6159 -283.6242 -257.4650 761671.1643 -5.5231 -5.5107 PRESSURE: 2424600 417.675 -138.162 4.39634 -138.162 -35.2129 -59.6936 4.39718 -59.6943 514.302 GPRESSURE: 2424600 456.088 -196.815 -86.4638 -189.487 11.8333 -104.208 47.2817 -40.6753 523.812 PRESSAVG: 2424600 45.113 -1.98631 24.174 -1.98626 -46.4608 -21.0108 24.174 -21.0108 -1.66013 GPRESSAVG: 2424600 44.7242 -3.22517 24.4634 -3.36602 -47.0846 -22.3542 23.117 -21.0672 -0.656712 TIMING: 2424600 CPU: 7737.14, 0.0031977/step Wall: 7737.14, 0.0031977/step, 2.2876 hours remaining, 239.894531 MB of memory in use. ENERGY: 2424600 4008.6708 20629.6271 14404.8548 237.6204 -203800.0639 2783.8216 0.0000 0.0000 52205.4734 -109529.9958 300.0256 -161735.4692 -109170.4234 298.6446 298.9214 330.5777 758609.7747 -1.0026 -1.0057 PRESSURE: 2424800 91.5714 97.3388 61.697 97.3389 331.485 -310.056 61.6967 -310.055 -205.091 GPRESSURE: 2424800 156.22 143.632 90.051 180.843 196.378 -261.813 101.588 -123.596 -53.1746 PRESSAVG: 2424800 -9.63245 0.892183 15.2665 0.892145 15.3608 -14.4859 15.2665 -14.486 21.3499 GPRESSAVG: 2424800 -10.6058 0.700315 16.6672 3.31294 15.9567 -14.1764 14.9109 -13.1449 22.2095 TIMING: 2424800 CPU: 7737.78, 0.00319932/step Wall: 7737.78, 0.00319932/step, 2.28858 hours remaining, 239.894531 MB of memory in use. ENERGY: 2424800 4070.2291 20403.9411 14499.0944 234.3541 -203005.0662 2397.8212 0.0000 0.0000 52032.7441 -109366.8822 299.0329 -161399.6263 -109001.7796 299.1423 72.6552 99.8080 761952.2252 9.0261 9.1868 PRESSURE: 2425000 102.96 -20.8635 169.976 -20.8632 -177.115 -23.5839 169.977 -23.5837 -158.364 GPRESSURE: 2425000 86.2139 -64.035 143.98 -114.183 -81.9968 -29.6623 202.429 -87.786 -177.197 PRESSAVG: 2425000 56.6382 1.9567 -53.479 1.95668 -70.311 -27.3434 -53.4789 -27.3433 9.2711 GPRESSAVG: 2425000 57.5185 5.26777 -54.5176 -0.196846 -70.0851 -25.6787 -52.1616 -27.1828 8.22197 TIMING: 2425000 CPU: 7738.41, 0.00318269/step Wall: 7738.41, 0.00318268/step, 2.2765 hours remaining, 239.894531 MB of memory in use. ENERGY: 2425000 4025.1155 20633.4236 14479.7703 249.6266 -203041.6162 2268.1020 0.0000 0.0000 52086.2991 -109299.2790 299.3407 -161385.5781 -108936.8794 299.8489 -77.5065 -57.6601 761809.4062 -1.4672 -1.4482 PRESSURE: 2425200 -367.878 -243.643 77.5736 -243.642 -227.374 -156.558 77.5727 -156.558 98.7614 GPRESSURE: 2425200 -238.68 -89.6518 56.633 -182.897 -227.449 -127.605 166.77 -145.466 48.3243 PRESSAVG: 2425200 73.8361 -37.0209 -18.1032 -37.0209 -58.6773 -10.7753 -18.1031 -10.7753 -4.64076 GPRESSAVG: 2425200 73.5319 -40.0836 -18.4978 -34.5537 -57.5849 -11.9278 -20.075 -11.6633 -5.14372 TIMING: 2425200 CPU: 7739.05, 0.00317449/step Wall: 7739.05, 0.00317449/step, 2.27047 hours remaining, 239.894531 MB of memory in use. ENERGY: 2425200 3966.2093 20640.0534 14476.4790 256.7316 -203054.8203 2401.4446 0.0000 0.0000 51962.5745 -109351.3277 298.6296 -161313.9022 -109003.1948 299.7907 -165.4967 -139.2685 762379.5418 3.5060 3.6011 PRESSURE: 2425400 103.163 5.85107 225.519 5.85134 -103.66 46.2478 225.519 46.2486 564.747 GPRESSURE: 2425400 129.163 -48.1104 177.977 15.0529 -51.6959 72.1087 348.399 -68.898 554.685 PRESSAVG: 2425400 17.3059 -17.8613 -3.55269 -17.8614 -28.9486 -5.95543 -3.55272 -5.9553 1.4095 GPRESSAVG: 2425400 17.4846 -17.7599 -4.45335 -18.8654 -28.8777 -7.39782 -2.03629 -6.55311 1.43438 TIMING: 2425400 CPU: 7739.68, 0.00316658/step Wall: 7739.68, 0.00316658/step, 2.26463 hours remaining, 239.894531 MB of memory in use. ENERGY: 2425400 3934.9490 20440.5327 14453.6098 225.8057 -203282.0983 2651.0096 0.0000 0.0000 52086.2430 -109489.9485 299.3404 -161576.1915 -109120.7801 299.4465 188.0836 210.7174 761887.9644 -3.4111 -3.3196 PRESSURE: 2425600 -492.474 -159.364 -36.9918 -159.364 -13.8208 -66.0629 -36.9916 -66.0632 -353.933 GPRESSURE: 2425600 -415.565 -154.634 -68.1088 -76.5451 -77.9704 -92.8017 -31.7973 -92.6594 -275.723 PRESSAVG: 2425600 20.435 -49.0068 2.31833 -49.0067 -60.6439 -26.7603 2.31843 -26.7603 -32.8544 GPRESSAVG: 2425600 20.1537 -45.5615 3.35374 -50.6223 -61.4034 -25.6013 3.31372 -25.728 -32.1658 TIMING: 2425600 CPU: 7740.31, 0.00314954/step Wall: 7740.31, 0.00314954/step, 2.25227 hours remaining, 239.894531 MB of memory in use. ENERGY: 2425600 4027.4890 20540.4410 14417.3946 239.0475 -203114.3351 2340.3772 0.0000 0.0000 52076.3405 -109473.2453 299.2834 -161549.5858 -109116.8292 299.2815 -286.7424 -256.4193 763714.7174 -24.3544 -24.4718 PRESSURE: 2425800 137.438 91.2318 13.8173 91.2315 -370.886 185.622 13.8176 185.621 19.7884 GPRESSURE: 2425800 121.205 -15.4638 -64.8691 -10.6852 -311.67 195.754 48.1832 105.468 73.6415 PRESSAVG: 2425800 48.2389 -10.2577 27.945 -10.2578 -73.7694 -37.1515 27.9449 -37.1515 -4.66538 GPRESSAVG: 2425800 47.4163 -15.0832 29.4587 -8.57293 -73.4077 -37.7664 24.4062 -37.885 -4.42417 TIMING: 2425800 CPU: 7740.94, 0.00316009/step Wall: 7740.94, 0.00316009/step, 2.25964 hours remaining, 239.894531 MB of memory in use. ENERGY: 2425800 3917.5413 20499.5446 14466.2845 260.5338 -202933.9728 2341.4879 0.0000 0.0000 52036.9969 -109411.5837 299.0573 -161448.5806 -109049.0047 299.1962 -71.2196 -38.9412 760743.2472 -10.0653 -10.1385 PRESSURE: 2426000 -86.5122 -95.692 -35.8011 -95.692 175.447 -4.16735 -35.8 -4.16766 -222.416 GPRESSURE: 2426000 40.8202 12.084 -45.5945 -172.946 100.441 9.52446 -81.4626 67.1625 -198.867 PRESSAVG: 2426000 14.343 -30.7027 -5.68741 -30.7027 -24.4723 -4.73642 -5.68742 -4.73644 15.3218 GPRESSAVG: 2426000 15.1841 -28.0326 -6.32576 -30.0526 -24.2917 -3.65686 -4.11892 -4.83558 14.3653 TIMING: 2426000 CPU: 7741.57, 0.00314086/step Wall: 7741.57, 0.00314087/step, 2.24572 hours remaining, 239.894531 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: 2426000 3995.1431 20463.5014 14471.7418 247.5906 -203146.3858 2504.4677 0.0000 0.0000 52021.5776 -109442.3636 298.9687 -161463.9412 -109094.4750 299.4193 -44.4937 -19.2020 763494.7454 1.7308 1.7526 PRESSURE: 2426200 154.042 -7.63722 68.5009 -7.63734 -320.887 39.8521 68.5013 39.8514 -74.1937 GPRESSURE: 2426200 160.213 -25.4394 159.423 -65.281 -247.469 -31.6944 82.8208 78.1302 -74.6026 PRESSAVG: 2426200 54.9599 -28.9524 8.71398 -28.9525 -35.6747 -19.0595 8.71397 -19.0595 -26.1414 GPRESSAVG: 2426200 54.4633 -29.9467 6.16267 -30.0255 -35.9466 -20.3061 8.67772 -21.5229 -25.6947 TIMING: 2426200 CPU: 7742.2, 0.00312495/step Wall: 7742.2, 0.00312495/step, 2.23416 hours remaining, 239.894531 MB of memory in use. ENERGY: 2426200 4037.1789 20476.1506 14505.4120 238.4230 -203472.0543 2711.2287 0.0000 0.0000 52026.4975 -109477.1635 298.9970 -161503.6610 -109119.3765 299.3560 -80.3462 -53.9529 763122.9091 -2.2854 -2.3927 PRESSURE: 2426400 343.348 -10.8786 -113.216 -10.8786 -47.9152 82.5439 -113.217 82.5435 -156.816 GPRESSURE: 2426400 342.563 -34.3756 -117.319 -12.331 -47.6501 110.369 45.2931 -23.1648 -73.3189 PRESSAVG: 2426400 35.2347 -35.2413 -60.2386 -35.2413 -21.907 -23.2644 -60.2387 -23.2644 -7.64519 GPRESSAVG: 2426400 36.4966 -36.6495 -57.3564 -36.3072 -22.8339 -23.3706 -58.5979 -21.9111 -7.74022 TIMING: 2426400 CPU: 7742.82, 0.00313825/step Wall: 7742.82, 0.00313825/step, 2.2435 hours remaining, 239.894531 MB of memory in use. ENERGY: 2426400 3913.0956 20414.2843 14452.0058 242.4033 -203164.7189 2562.3461 0.0000 0.0000 51993.9123 -109586.6716 298.8097 -161580.5839 -109218.0511 299.2158 46.2056 73.8648 761659.4526 1.8942 1.9742 PRESSURE: 2426600 -135.127 81.891 -15.5266 81.8909 81.3645 -286.392 -15.5261 -286.394 254.89 GPRESSURE: 2426600 -93.2229 54.2498 54.1625 -10.7891 96.5063 -245.94 -99.6525 -309.264 280.265 PRESSAVG: 2426600 30.7802 -28.4173 23.6694 -28.4173 -60.2912 -84.4271 23.6694 -84.427 -0.109592 GPRESSAVG: 2426600 29.9424 -26.555 23.4348 -27.1692 -60.5108 -83.7728 23.5132 -84.0955 0.708153 TIMING: 2426600 CPU: 7743.46, 0.00315737/step Wall: 7743.46, 0.00315737/step, 2.257 hours remaining, 239.894531 MB of memory in use. ENERGY: 2426600 3995.4756 20552.2514 14498.8090 238.3845 -203230.1064 2623.8012 0.0000 0.0000 51948.5461 -109372.8385 298.5490 -161321.3846 -109008.6074 299.3794 67.0427 94.5161 761461.1406 -9.8735 -9.9534 PRESSURE: 2426800 -92.2212 -97.2275 126.259 -97.2278 -239.292 266.573 126.26 266.572 -252.862 GPRESSURE: 2426800 -147.84 -68.2494 96.0631 -149.084 -132.446 323.714 179.003 232.087 -222.688 PRESSAVG: 2426800 36.3146 -52.0486 2.80154 -52.0486 -68.3867 -45.5504 2.8015 -45.5504 -9.34104 GPRESSAVG: 2426800 35.8094 -53.6667 2.40853 -51.5626 -67.5507 -44.5708 1.12798 -45.4682 -10.0774 TIMING: 2426800 CPU: 7744.09, 0.0031487/step Wall: 7744.09, 0.0031487/step, 2.25062 hours remaining, 239.894531 MB of memory in use. ENERGY: 2426800 3836.4088 20526.6343 14470.1359 254.3247 -203143.2003 2515.5762 0.0000 0.0000 52013.0340 -109527.0863 298.9196 -161540.1203 -109156.4989 299.3206 -194.7917 -167.6578 764261.1105 -13.8044 -13.9396 PRESSURE: 2427000 135.863 31.0971 52.6805 31.0975 -109.629 -299.29 52.6814 -299.29 365.449 GPRESSURE: 2427000 153.689 55.7282 26.21 -4.99027 -21.8947 -288.847 37.9259 -375.788 354.832 PRESSAVG: 2427000 -28.1951 -45.6306 17.4516 -45.6306 -25.1038 8.26156 17.4516 8.26153 -1.53718 GPRESSAVG: 2427000 -27.309 -45.6514 17.7947 -45.8616 -24.6145 6.37217 16.3458 9.08439 -2.19039 TIMING: 2427000 CPU: 7744.72, 0.0031514/step Wall: 7744.72, 0.0031514/step, 2.25237 hours remaining, 239.894531 MB of memory in use. ENERGY: 2427000 3991.1486 20493.5251 14463.7567 248.4804 -203591.1133 2921.5609 0.0000 0.0000 51979.0794 -109493.5621 298.7245 -161472.6415 -109124.0463 299.1949 130.5612 162.2089 762335.0489 -18.2787 -18.0379 PRESSURE: 2427200 50.9322 -66.485 -117.174 -66.4846 -344.995 -82.4099 -117.174 -82.4099 -165.506 GPRESSURE: 2427200 8.09358 5.32136 -132.925 -44.5583 -307.636 -95.0192 -156.73 90.9948 -91.8011 PRESSAVG: 2427200 12.1342 -79.9083 -0.688429 -79.9083 -32.3412 -40.8569 -0.688501 -40.8569 -4.86792 GPRESSAVG: 2427200 11.42 -78.7763 -2.8147 -80.7657 -32.0585 -41.2912 0.35722 -41.684 -4.75891 TIMING: 2427200 CPU: 7745.35, 0.00314447/step Wall: 7745.35, 0.00314447/step, 2.24725 hours remaining, 239.894531 MB of memory in use. ENERGY: 2427200 3990.0667 20468.4264 14449.8203 248.7258 -203311.1193 2528.7151 0.0000 0.0000 51964.8141 -109660.5508 298.6425 -161625.3650 -109304.4386 299.0227 -153.1895 -130.4479 763063.3082 -8.3583 -8.4658 PRESSURE: 2427400 71.1605 62.4057 -163.601 62.4065 -214.349 -45.8107 -163.602 -45.8105 -385.82 GPRESSURE: 2427400 39.9759 11.4047 -212.044 -67.5818 -161.088 -45.6767 -69.4982 4.47605 -300.858 PRESSAVG: 2427400 -11.644 -70.1345 -14.4231 -70.1345 -20.4843 11.818 -14.423 11.8181 -0.168779 GPRESSAVG: 2427400 -10.3673 -71.9095 -11.8395 -69.6785 -21.6703 12.7022 -12.9563 12.3299 0.219101 TIMING: 2427400 CPU: 7745.97, 0.00314545/step Wall: 7745.97, 0.00314545/step, 2.24777 hours remaining, 239.894531 MB of memory in use. ENERGY: 2427400 3991.9597 20370.6268 14523.4817 237.1270 -203402.6291 2748.6599 0.0000 0.0000 51936.5567 -109594.2172 298.4801 -161530.7739 -109243.0932 298.8113 -176.3362 -140.6568 763413.0359 -10.7657 -10.6062 PRESSURE: 2427600 40.6257 238.866 128.17 238.866 19.1685 128.526 128.17 128.525 273.579 GPRESSURE: 2427600 280.005 224.966 200.58 230.089 21.5927 90.2985 144.329 98.5399 137.602 PRESSAVG: 2427600 -13.4979 -9.37655 7.60737 -9.37649 11.0311 19.9484 7.60736 19.9484 -1.11003 GPRESSAVG: 2427600 -14.8014 -8.33929 7.99028 -7.54248 11.1115 19.4843 5.21562 20.9437 -0.159974 TIMING: 2427600 CPU: 7746.61, 0.00315531/step Wall: 7746.61, 0.00315531/step, 2.25464 hours remaining, 239.894531 MB of memory in use. ENERGY: 2427600 3975.7949 20371.9096 14487.2865 220.1350 -203677.7311 2769.0146 0.0000 0.0000 52143.6066 -109709.9839 299.6700 -161853.5905 -109349.1189 298.8232 111.1243 146.3998 760962.7742 -1.1923 -1.2833 PRESSURE: 2427800 12.7518 -22.2613 199.762 -22.2619 152.413 -83.8907 199.762 -83.8907 56.0282 GPRESSURE: 2427800 79.6025 -8.78004 224.835 -100.061 108.884 -147.571 225.455 -11.5448 130.192 PRESSAVG: 2427800 33.8316 -1.29351 -48.8322 -1.29351 -20.3662 25.3141 -48.8321 25.3142 6.7719 GPRESSAVG: 2427800 35.5536 -1.50991 -49.5866 -1.98766 -21.3968 25.4788 -46.3728 24.3211 5.78625 TIMING: 2427800 CPU: 7747.24, 0.00315308/step Wall: 7747.24, 0.00315308/step, 2.25288 hours remaining, 239.894531 MB of memory in use. ENERGY: 2427800 3984.6183 20425.3280 14474.5823 226.7719 -203546.9329 2609.2984 0.0000 0.0000 51990.1925 -109836.1415 298.7884 -161826.3340 -109476.9414 299.0659 73.7310 106.2263 758676.5225 6.7458 6.6477 PRESSURE: 2428000 30.764 -134.539 -71.0879 -134.54 -60.3687 274.78 -71.0873 274.779 3.35801 GPRESSURE: 2428000 62.2007 -90.916 -122.269 -57.0755 14.6915 216.858 104.83 187.188 -14.0045 PRESSAVG: 2428000 39.9644 -25.7353 50.8513 -25.7353 -15.5771 -16.5039 50.8513 -16.5039 9.61153 GPRESSAVG: 2428000 38.9832 -23.773 51.4974 -28.2091 -14.5076 -17.1899 53.8315 -17.0488 9.46802 TIMING: 2428000 CPU: 7747.87, 0.00314654/step Wall: 7747.87, 0.00314654/step, 2.24803 hours remaining, 239.894531 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: 2428000 3910.8733 20477.2401 14434.0892 240.4029 -203138.5129 2185.7523 0.0000 0.0000 52166.1566 -109723.9985 299.7996 -161890.1551 -109358.8240 298.9154 -8.7489 20.9626 761221.8815 11.3330 11.3145 PRESSURE: 2428200 163.872 -19.4473 17.201 -19.4474 -90.5601 -225.593 17.2014 -225.593 67.8962 GPRESSURE: 2428200 9.36704 -167.272 76.4455 0.883694 111.814 -213.636 -128.889 -92.0328 118.063 PRESSAVG: 2428200 59.5928 -60.9821 -16.0137 -60.9821 -3.54339 -8.94199 -16.0137 -8.94201 1.97351 GPRESSAVG: 2428200 59.2732 -64.4889 -15.6436 -59.3907 -4.24578 -6.95117 -19.4232 -9.57516 3.02364 TIMING: 2428200 CPU: 7748.5, 0.00314859/step Wall: 7748.5, 0.00314859/step, 2.24932 hours remaining, 239.894531 MB of memory in use. ENERGY: 2428200 3973.7619 20496.3435 14516.6682 232.7834 -203510.8161 2360.4786 0.0000 0.0000 52265.6445 -109665.1359 300.3714 -161930.7803 -109298.5739 299.1432 47.0695 79.7479 758710.7345 19.3410 19.3504 LDB: ============= START OF LOAD BALANCING ============== 7760.95 LDB: ============== END OF LOAD BALANCING =============== 7760.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7760.95 LDB: ============= START OF LOAD BALANCING ============== 7761.27 LDB: Largest compute 7026 load 0.036442 is 18.7% of average load 0.195352 LDB: Average compute 0.004408 is 2.3% of average load 0.195352 LDB: TIME 7761.27 LOAD: AVG 0.195352 MAX 0.213941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7761.27 LOAD: AVG 0.195352 MAX 0.213941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 7761.27 LOAD: AVG 0.195352 MAX 0.213941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 7761.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7761.28 PRESSURE: 2428400 -489.623 68.3697 44.6175 68.3691 -363.456 36.5544 44.6172 36.5546 -183.897 GPRESSURE: 2428400 -482.958 84.2754 56.7346 133.521 -227.604 32.4683 118.52 -22.6663 -252.069 PRESSAVG: 2428400 72.0706 -21.386 12.4765 -21.386 -71.6429 -50.7857 12.4764 -50.7858 -16.7457 GPRESSAVG: 2428400 72.1201 -19.6327 12.8478 -20.7026 -71.3876 -51.8883 12.0706 -48.5721 -17.2316 TIMING: 2428400 CPU: 7749.14, 0.00324014/step Wall: 7749.14, 0.00324014/step, 2.31454 hours remaining, 240.039062 MB of memory in use. ENERGY: 2428400 3994.9915 20519.9960 14425.4801 254.6329 -203382.2803 2401.1019 0.0000 0.0000 51940.7389 -109845.3390 298.5041 -161786.0778 -109487.6127 298.8255 -345.6585 -320.8771 763245.6394 -5.4393 -5.4997 PRESSURE: 2428600 222.526 -4.45894 -143.279 -4.46047 95.8207 39.8761 -143.279 39.8758 -522.557 GPRESSURE: 2428600 309.146 -65.1829 -150.13 80.1592 93.9645 26.4364 -176.011 125.131 -516.045 PRESSAVG: 2428600 13.2959 -41.5223 -36.0973 -41.5224 -48.9911 -60.394 -36.0973 -60.394 15.9056 GPRESSAVG: 2428600 12.8273 -40.7221 -37.8196 -41.5323 -48.6559 -59.1476 -34.8414 -59.8129 15.797 TIMING: 2428600 CPU: 7749.78, 0.00317037/step Wall: 7749.78, 0.00317037/step, 2.26452 hours remaining, 240.039062 MB of memory in use. ENERGY: 2428600 3915.5281 20612.6666 14437.0065 250.6007 -203373.0746 2632.4867 0.0000 0.0000 51816.9536 -109707.8324 297.7927 -161524.7860 -109350.3312 298.6808 -68.0699 -37.6448 761337.8119 -6.5965 -6.6772 PRESSURE: 2428800 94.4302 -76.9855 126.689 -76.9861 47.3462 249.345 126.687 249.345 24.9281 GPRESSURE: 2428800 68.0331 -44.821 2.67693 -89.5151 51.035 320.826 199.681 71.7375 143.732 PRESSAVG: 2428800 43.8881 -47.6106 -33.9075 -47.6106 -14.2912 -29.9698 -33.9075 -29.9699 26.7289 GPRESSAVG: 2428800 44.9696 -47.7125 -35.278 -49.2352 -14.5245 -29.5138 -32.0676 -31.724 26.4748 TIMING: 2428800 CPU: 7750.41, 0.00317147/step Wall: 7750.41, 0.00317147/step, 2.26514 hours remaining, 240.039062 MB of memory in use. ENERGY: 2428800 3908.2978 20558.8599 14493.0488 248.8081 -203495.7461 2652.6637 0.0000 0.0000 52065.7653 -109568.3024 299.2227 -161634.0678 -109207.0390 299.1783 55.5682 87.5999 761141.4052 18.7753 18.9733 PRESSURE: 2429000 -220.903 -62.7785 168.151 -62.7775 197.907 0.753475 168.151 0.754966 -417.883 GPRESSURE: 2429000 -312.091 -4.41061 226.578 -116.038 259.273 -171.069 148.926 39.2871 -310.927 PRESSAVG: 2429000 -11.8243 -6.93458 -19.3124 -6.93458 7.15438 38.7702 -19.3124 38.7702 -19.6084 GPRESSAVG: 2429000 -12.5691 -8.63132 -17.0108 -6.87193 6.9132 38.7551 -19.6067 37.7354 -18.7955 TIMING: 2429000 CPU: 7751.05, 0.00317973/step Wall: 7751.05, 0.00317973/step, 2.27086 hours remaining, 240.039062 MB of memory in use. ENERGY: 2429000 4026.7000 20562.9111 14478.5695 219.5116 -203339.1532 2533.2340 0.0000 0.0000 52030.0803 -109488.1468 299.0176 -161518.2271 -109122.2949 299.5405 -146.9595 -121.2482 761560.2619 -8.0928 -8.1505 PRESSURE: 2429200 -153.548 138.897 -243.001 138.897 -280.083 -52.1471 -243.001 -52.1463 -116.998 GPRESSURE: 2429200 -158.147 155.602 -135.772 108.489 -140.528 -44.3814 -242.426 -5.50274 -152.864 PRESSAVG: 2429200 5.14741 4.63764 -50.9836 4.63768 -20.3665 22.3752 -50.9836 22.3753 -1.48812 GPRESSAVG: 2429200 6.07204 5.61588 -50.0136 6.35927 -20.0173 22.7547 -53.6082 23.748 -2.59416 TIMING: 2429200 CPU: 7751.68, 0.00317017/step Wall: 7751.68, 0.00317017/step, 2.26386 hours remaining, 240.039062 MB of memory in use. ENERGY: 2429200 3965.1139 20585.8629 14478.8167 245.5252 -203483.8585 2474.8299 0.0000 0.0000 52286.5701 -109447.1399 300.4916 -161733.7100 -109073.2952 299.9177 -183.5430 -150.5130 761372.6166 -5.5691 -5.5131 PRESSURE: 2429400 25.8251 -120.163 -283.883 -120.165 -141.632 -22.8889 -283.883 -22.8883 845.631 GPRESSURE: 2429400 8.17897 -44.8858 -278.39 -200.718 -49.5437 -3.78346 -172.821 25.5516 860.68 PRESSAVG: 2429400 -1.7999 -6.78159 22.0292 -6.78163 -12.6019 47.1737 22.0291 47.1737 -0.700199 GPRESSAVG: 2429400 -3.19853 -6.54875 22.3153 -9.46166 -12.1361 47.3722 23.9118 47.4846 0.158547 TIMING: 2429400 CPU: 7752.31, 0.00315874/step Wall: 7752.31, 0.00315874/step, 2.25552 hours remaining, 240.039062 MB of memory in use. ENERGY: 2429400 3985.3693 20616.8247 14498.8417 229.8461 -203331.5012 2735.2116 0.0000 0.0000 51725.0113 -109540.3965 297.2644 -161265.4078 -109183.3786 300.2821 243.2750 273.1052 762898.4398 -5.0340 -5.0587 PRESSURE: 2429600 14.023 -116.444 277.06 -116.444 269.583 38.4223 277.061 38.4218 301.268 GPRESSURE: 2429600 27.7824 -222.393 300.19 -82.9996 251.978 109.681 171.093 -43.2774 371.804 PRESSAVG: 2429600 -8.89124 -44.5278 9.70566 -44.5278 5.79637 14.4461 9.70558 14.446 20.958 GPRESSAVG: 2429600 -9.0183 -43.6167 9.43294 -42.2278 6.13442 13.7806 9.02826 15.24 20.1723 TIMING: 2429600 CPU: 7752.95, 0.00317081/step Wall: 7752.95, 0.00317081/step, 2.26396 hours remaining, 240.039062 MB of memory in use. ENERGY: 2429600 3989.5638 20725.8114 14510.7120 237.9905 -203593.2760 2764.3468 0.0000 0.0000 51801.0419 -109563.8095 297.7013 -161364.8515 -109210.2368 298.7321 194.9578 217.1879 761177.0524 5.9544 5.7628 PRESSURE: 2429800 209.357 65.8166 13.4741 65.8163 15.9728 154.175 13.4738 154.174 136.217 GPRESSURE: 2429800 176.204 -29.5323 9.9638 42.2371 60.7987 123.472 29.5504 53.1571 219.58 PRESSAVG: 2429800 27.8563 -25.6002 -14.6388 -25.6002 -50.982 24.949 -14.6389 24.949 6.91863 GPRESSAVG: 2429800 27.8657 -26.1601 -16.1488 -25.5091 -51.5158 22.597 -15.6992 24.9972 7.17985 TIMING: 2429800 CPU: 7753.59, 0.00318886/step Wall: 7753.59, 0.00318886/step, 2.27667 hours remaining, 240.039062 MB of memory in use. ENERGY: 2429800 3981.0944 20481.5157 14456.3173 239.4713 -203172.0372 2449.5644 0.0000 0.0000 52037.0501 -109527.0241 299.0576 -161564.0742 -109157.8733 298.9664 120.5157 152.1941 761715.2884 -5.4024 -5.4901 PRESSURE: 2430000 2.15723 109.425 -210.14 109.425 -437.482 -64.8755 -210.141 -64.8758 46.5585 GPRESSURE: 2430000 1.02576 80.3121 -167.88 118.082 -334.033 -30.4106 -82.5466 133.868 32.0084 PRESSAVG: 2430000 29.9229 -48.2303 -33.1112 -48.2303 -56.2161 39.5159 -33.1111 39.5159 21.887 GPRESSAVG: 2430000 30.5973 -50.3362 -32.2058 -47.4195 -56.613 42.0168 -31.1978 37.7145 20.9839 TIMING: 2430000 CPU: 7754.21, 0.0031388/step Wall: 7754.21, 0.0031388/step, 2.24075 hours remaining, 240.039062 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: 2430000 4031.4149 20432.2735 14611.0037 240.0560 -203162.1194 2421.8848 0.0000 0.0000 51947.9028 -109477.5838 298.5453 -161425.4865 -109114.3372 298.9158 -129.5888 -100.3329 761882.6662 -1.4687 -1.6773 PRESSURE: 2430200 -28.5617 -142.199 -228.892 -142.2 154.622 -42.3136 -228.892 -42.3134 13.9063 GPRESSURE: 2430200 -13.3833 -123.969 -270.563 -135.542 282.173 -21.4817 -241.799 -75.8459 -25.7459 PRESSAVG: 2430200 36.4967 -92.2551 -53.3542 -92.255 9.88196 -13.0441 -53.3542 -13.0442 -9.57369 GPRESSAVG: 2430200 36.1505 -89.7661 -52.2781 -92.3487 8.93018 -13.7395 -55.2973 -11.1868 -8.50951 TIMING: 2430200 CPU: 7754.84, 0.00312284/step Wall: 7754.84, 0.00312284/step, 2.22919 hours remaining, 240.039062 MB of memory in use. ENERGY: 2430200 3984.9841 20349.0729 14467.7207 257.3808 -203659.2234 2752.5939 0.0000 0.0000 52116.9558 -109730.5153 299.5169 -161847.4711 -109364.5537 299.3218 46.6557 81.0145 760623.3815 12.2683 12.1904 PRESSURE: 2430400 -39.3778 -104.946 40.102 -104.946 6.56411 -85.0948 40.102 -85.0961 207.445 GPRESSURE: 2430400 53.0335 -84.5861 28.6899 -242.456 83.7979 -22.8756 22.4764 -62.3187 134.75 PRESSAVG: 2430400 -4.386 -33.8674 -49.7429 -33.8673 24.2273 31.9924 -49.743 31.9923 1.95099 GPRESSAVG: 2430400 -4.35794 -34.2272 -50.6318 -34.6182 24.8768 32.0159 -51.3019 32.6815 1.16518 TIMING: 2430400 CPU: 7755.46, 0.00313269/step Wall: 7755.46, 0.00313269/step, 2.23605 hours remaining, 240.039062 MB of memory in use. ENERGY: 2430400 3980.4524 20459.8422 14420.0568 245.8009 -203534.4642 2652.5998 0.0000 0.0000 51852.9089 -109922.8032 297.9994 -161775.7121 -109565.0987 299.0004 58.2104 90.5271 760629.4211 7.2641 7.2280 PRESSURE: 2430600 -144.802 71.8554 -164.335 71.8554 -26.2754 18.3169 -164.335 18.3169 -56.3592 GPRESSURE: 2430600 16.6961 76.0406 -167.717 49.5506 -86.5954 -4.72421 -171.496 49.0805 -65.0379 PRESSAVG: 2430600 12.2299 -74.2087 -29.1498 -74.2086 -5.40186 39.4315 -29.1498 39.4316 -6.8332 GPRESSAVG: 2430600 11.012 -73.5616 -30.0505 -73.8149 -5.34632 40.7544 -26.2365 37.5323 -5.70477 TIMING: 2430600 CPU: 7756.09, 0.00312728/step Wall: 7756.09, 0.00312728/step, 2.23201 hours remaining, 240.039062 MB of memory in use. ENERGY: 2430600 4008.4596 20519.6754 14487.1980 240.4890 -203385.8886 2323.3884 0.0000 0.0000 51810.7416 -109995.9366 297.7570 -161806.6782 -109641.3840 298.1218 -75.8122 -44.9791 760435.1019 -0.0017 -0.0130 PRESSURE: 2430800 55.1672 -190.982 -20.2819 -190.981 -29.2602 72.697 -20.2819 72.6962 35.6665 GPRESSURE: 2430800 133.416 -219.498 -68.5673 -120.698 -44.3431 65.0552 56.9519 122.006 54.3485 PRESSAVG: 2430800 -43.2141 -15.7877 -0.0564344 -15.7877 7.50771 24.5451 -0.0563882 24.5451 24.1894 GPRESSAVG: 2430800 -42.0154 -17.6514 1.47624 -16.1896 7.34768 21.3558 -2.27063 25.3283 22.9548 TIMING: 2430800 CPU: 7756.72, 0.00314002/step Wall: 7756.72, 0.00314002/step, 2.24093 hours remaining, 240.039062 MB of memory in use. ENERGY: 2430800 3961.0417 20394.5237 14434.3971 230.0346 -203371.8462 2359.0147 0.0000 0.0000 51810.4672 -110182.3671 297.7555 -161992.8344 -109812.3967 297.9285 20.5245 47.8071 760392.2722 -3.8390 -3.9043 PRESSURE: 2431000 -27.7523 -61.0059 -99.7924 -61.0058 -139.431 226.61 -99.7939 226.61 -17.8797 GPRESSURE: 2431000 63.4015 -10.8949 -124.285 22.4646 -151.09 229.089 -49.4636 237.604 14.857 PRESSAVG: 2431000 1.15711 -34.8915 -15.7484 -34.8914 41.2236 20.2564 -15.7484 20.2564 12.8369 GPRESSAVG: 2431000 1.07624 -32.0988 -16.6907 -34.6538 40.5559 23.0322 -14.6586 20.251 13.1515 TIMING: 2431000 CPU: 7757.34, 0.00313495/step Wall: 7757.34, 0.00313495/step, 2.23713 hours remaining, 240.039062 MB of memory in use. ENERGY: 2431000 3970.9189 20315.3220 14457.3272 257.0846 -203401.5985 2694.9470 0.0000 0.0000 51731.9803 -109974.0185 297.3044 -161705.9988 -109619.4932 298.3275 -61.6877 -24.2773 761991.4530 18.4059 18.2612 PRESSURE: 2431200 141.903 -247.42 -100.537 -247.419 197.893 -271.836 -100.538 -271.836 -3.20473 GPRESSURE: 2431200 198.892 -182.506 -164.857 -246.721 147.163 -297.253 -102.86 -336.99 65.5759 PRESSAVG: 2431200 -36.3408 -36.4525 -2.64381 -36.4525 30.657 -15.1522 -2.64389 -15.1522 -5.67544 GPRESSAVG: 2431200 -36.6068 -37.8162 -2.20044 -36.0424 31.2661 -14.9231 -3.54075 -16.159 -5.31351 TIMING: 2431200 CPU: 7757.97, 0.00313973/step Wall: 7757.97, 0.00313973/step, 2.24037 hours remaining, 240.039062 MB of memory in use. ENERGY: 2431200 3956.9044 20458.3384 14428.1376 235.7492 -203274.5337 2468.3625 0.0000 0.0000 51833.6762 -109893.3653 297.8888 -161727.0415 -109527.1525 298.1260 112.1971 137.2104 761864.7961 -3.7864 -3.5514 PRESSURE: 2431400 118.789 -84.8074 54.1931 -84.8078 -21.9899 -14.842 54.1943 -14.8413 -9.56203 GPRESSURE: 2431400 187.967 -96.26 -32.99 -42.9328 17.1329 45.925 -3.91742 120.182 -37.1337 PRESSAVG: 2431400 8.42487 -26.6983 44.3495 -26.6982 -37.19 -80.5256 44.3495 -80.5256 7.82915 GPRESSAVG: 2431400 8.06197 -28.1352 43.1489 -28.3206 -37.6421 -80.3495 45.6994 -77.657 8.54341 TIMING: 2431400 CPU: 7758.6, 0.00313071/step Wall: 7758.6, 0.00313071/step, 2.23376 hours remaining, 240.039062 MB of memory in use. ENERGY: 2431400 3940.5318 20419.8481 14480.7883 225.1506 -203795.4427 2703.6874 0.0000 0.0000 51953.5451 -110071.8915 298.5777 -162025.4366 -109719.3373 298.0165 29.0791 55.9887 759179.5936 -6.9787 -7.0122 PRESSURE: 2431600 -200.107 39.7804 -7.78392 39.7802 -246.342 9.30187 -7.7843 9.30188 165.643 GPRESSURE: 2431600 -112.683 137.244 -81.5736 112.486 -320.567 50.2596 48.0062 -1.97143 233.36 PRESSAVG: 2431600 5.58849 8.99457 -53.3275 8.99459 -25.9055 -23.9435 -53.3274 -23.9434 28.8106 GPRESSAVG: 2431600 6.37301 8.85976 -52.1847 10.6621 -26.2927 -24.6357 -55.5341 -26.7648 28.9137 TIMING: 2431600 CPU: 7759.23, 0.00313981/step Wall: 7759.23, 0.00313981/step, 2.24008 hours remaining, 240.039062 MB of memory in use. ENERGY: 2431600 3936.2460 20482.5952 14442.2758 261.0605 -203358.9133 2271.3041 0.0000 0.0000 52092.5962 -109872.8355 299.3769 -161965.4317 -109516.0126 298.6070 -93.6021 -66.6299 760816.4333 2.8312 2.9980 PRESSURE: 2431800 -22.9665 -154.009 -151.509 -154.008 217.636 122.172 -151.509 122.172 -155.73 GPRESSURE: 2431800 -58.6808 -116.37 -136.693 -30.4751 252.3 12.2049 -198.01 72.0725 -71.8262 PRESSAVG: 2431800 56.7827 -43.5612 26.8937 -43.5612 -75.3941 12.0483 26.8937 12.0484 -10.9345 GPRESSAVG: 2431800 55.4673 -40.074 26.5384 -42.3151 -73.8919 11.2535 27.6867 12.393 -11.6583 TIMING: 2431800 CPU: 7759.85, 0.00313287/step Wall: 7759.85, 0.00313287/step, 2.23495 hours remaining, 240.039062 MB of memory in use. ENERGY: 2431800 4085.0485 20447.9725 14523.8109 250.0057 -203787.2715 2693.1342 0.0000 0.0000 51769.9003 -110017.3996 297.5223 -161787.2998 -109663.4363 298.4071 12.9798 40.5976 759153.4470 -9.8486 -10.0276 PRESSURE: 2432000 266.7 19.5856 12.9695 19.5853 202.701 -154.013 12.9689 -154.011 416.848 GPRESSURE: 2432000 334.563 33.6903 102.047 -5.78959 199.664 -133.162 72.095 -52.9996 438.222 PRESSAVG: 2432000 60.2634 -60.1498 10.9976 -60.1498 -0.96277 -17.1993 10.9976 -17.1992 20.8295 GPRESSAVG: 2432000 60.576 -62.2223 10.492 -61.6664 -0.980562 -16.2186 11.691 -17.6783 20.2712 TIMING: 2432000 CPU: 7760.48, 0.00315239/step Wall: 7760.48, 0.00315239/step, 2.2487 hours remaining, 240.039062 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: 2432000 3912.2632 20431.0555 14431.7282 237.2314 -203622.3901 2851.7299 0.0000 0.0000 51708.9372 -110049.4447 297.1720 -161758.3819 -109692.9959 298.0204 295.4164 324.1497 760283.3114 26.7101 26.6222 PRESSURE: 2432200 -191.698 226.083 -140.559 226.082 -147.608 -36.4505 -140.559 -36.4517 -264.586 GPRESSURE: 2432200 -174.747 139.918 -124.258 222.78 -97.803 -113.007 -126.828 -9.26347 -242.097 PRESSAVG: 2432200 -12.9328 18.0814 -18.1997 18.0814 -20.828 14.866 -18.1997 14.8659 -17.1603 GPRESSAVG: 2432200 -12.8285 16.912 -16.2824 19.1734 -21.4476 12.1387 -16.9953 15.1835 -17.1525 TIMING: 2432200 CPU: 7761.11, 0.0031388/step Wall: 7761.11, 0.0031388/step, 2.23883 hours remaining, 240.039062 MB of memory in use. ENERGY: 2432200 4000.0851 20383.0214 14378.6393 243.3105 -203583.0017 2463.1520 0.0000 0.0000 51865.9051 -110248.8884 298.0741 -162114.7935 -109899.7638 298.0108 -201.2973 -171.5489 761852.6720 -16.9737 -17.1429 LDB: ============= START OF LOAD BALANCING ============== 7773.56 LDB: ============== END OF LOAD BALANCING =============== 7773.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7773.57 LDB: ============= START OF LOAD BALANCING ============== 7773.88 LDB: Largest compute 7045 load 0.035288 is 18.1% of average load 0.195174 LDB: Average compute 0.004400 is 2.3% of average load 0.195174 LDB: TIME 7773.89 LOAD: AVG 0.195174 MAX 0.212588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 7773.89 LOAD: AVG 0.195174 MAX 0.212588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 7773.89 LOAD: AVG 0.195174 MAX 0.212588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 7773.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7773.89 PRESSURE: 2432400 13.8888 28.3977 -67.1816 28.3979 -98.4483 118.234 -67.1826 118.234 -32.3948 GPRESSURE: 2432400 150.991 -16.2021 -0.00577872 132.765 -146.687 173.548 -97.3326 201.44 -48.5176 PRESSAVG: 2432400 23.3782 -12.4118 -18.8186 -12.4117 -35.9482 63.5816 -18.8186 63.5817 -37.6529 GPRESSAVG: 2432400 22.0358 -12.163 -20.236 -13.1752 -36.0133 66.1515 -20.5193 63.9991 -36.421 TIMING: 2432400 CPU: 7761.76, 0.00322701/step Wall: 7761.76, 0.00322701/step, 2.30157 hours remaining, 240.550781 MB of memory in use. ENERGY: 2432400 4011.2702 20502.8158 14388.8969 257.3769 -203815.5410 2780.4111 0.0000 0.0000 51644.7872 -110229.9829 296.8033 -161874.7701 -109880.1435 297.4261 -38.9848 -14.7380 761213.0042 -16.7409 -16.7995 PRESSURE: 2432600 109.377 69.7159 25.2438 69.7157 116.422 24.3528 25.2442 24.3525 18.2579 GPRESSURE: 2432600 116.446 86.7462 60.2951 135.488 215.239 52.0023 23.1763 -3.75984 6.78364 PRESSAVG: 2432600 21.4323 -15.0916 -12.8484 -15.0915 -26.1068 -5.1026 -12.8484 -5.10258 15.4459 GPRESSAVG: 2432600 22.2918 -15.177 -13.4094 -13.7338 -26.052 -6.98345 -9.65889 -5.05564 14.489 TIMING: 2432600 CPU: 7762.39, 0.00316665/step Wall: 7762.39, 0.00316666/step, 2.25835 hours remaining, 240.550781 MB of memory in use. ENERGY: 2432600 3905.5160 20310.2911 14447.0241 248.9543 -203718.5412 2683.3499 0.0000 0.0000 52029.6339 -110093.7719 299.0150 -162123.4058 -109737.1724 297.3893 81.3521 112.8228 762309.6017 3.5904 3.5763 PRESSURE: 2432800 -243.047 -25.8379 119.391 -25.8377 -274.806 84.2251 119.391 84.225 3.4402 GPRESSURE: 2432800 -186.494 -102.26 136.582 38.0504 -237.218 58.0062 -17.4165 67.6438 17.954 PRESSAVG: 2432800 37.8533 -13.7142 -13.001 -13.7142 -6.63125 -1.24865 -13.001 -1.24868 -2.43327 GPRESSAVG: 2432800 38.4052 -11.9575 -11.0692 -13.8249 -6.55545 0.72256 -16.7131 -1.98853 -3.02249 TIMING: 2432800 CPU: 7763.02, 0.00316345/step Wall: 7763.02, 0.00316345/step, 2.25589 hours remaining, 240.550781 MB of memory in use. ENERGY: 2432800 3898.9878 20390.5062 14466.8491 234.6239 -203439.6121 2484.9321 0.0000 0.0000 51909.3864 -110054.3264 298.3240 -161963.7129 -109690.5845 298.1923 -171.4708 -135.2527 761717.2130 9.5963 9.6091 PRESSURE: 2433000 17.3191 -100.734 -130.085 -100.734 -99.4533 116.786 -130.085 116.787 249.347 GPRESSURE: 2433000 79.6768 -84.6795 -181.142 -83.836 -82.3178 76.7765 7.11549 136.628 250.571 PRESSAVG: 2433000 30.0868 -68.9489 45.7607 -68.949 -20.0404 -8.06675 45.7608 -8.0668 10.274 GPRESSAVG: 2433000 29.5848 -68.735 44.6355 -70.9259 -20.3513 -9.28256 44.5996 -9.00213 10.9533 TIMING: 2433000 CPU: 7763.65, 0.00314225/step Wall: 7763.65, 0.00314225/step, 2.2406 hours remaining, 240.550781 MB of memory in use. ENERGY: 2433000 3965.2074 20394.1134 14407.8987 241.8470 -203680.8463 2607.6092 0.0000 0.0000 51930.6102 -110133.5604 298.4459 -162064.1706 -109774.3911 298.2564 55.7375 82.6434 759958.4312 6.7735 6.7289 PRESSURE: 2433200 -134.26 203.21 -137.865 203.21 -401.556 -291.247 -137.866 -291.248 -300.08 GPRESSURE: 2433200 -67.352 145.628 -61.536 225.165 -343.343 -262.224 -134.52 -102.702 -341.695 PRESSAVG: 2433200 62.3786 -85.2142 41.0705 -85.2142 -82.9034 -8.17115 41.0705 -8.17113 -14.7386 GPRESSAVG: 2433200 63.255 -86.1171 41.8749 -83.1344 -83.052 -6.38566 44.9325 -6.31191 -15.6043 TIMING: 2433200 CPU: 7764.28, 0.00313627/step Wall: 7764.28, 0.00313627/step, 2.23616 hours remaining, 240.550781 MB of memory in use. ENERGY: 2433200 3976.0672 20348.7081 14446.6035 241.6655 -203405.1074 2333.5154 0.0000 0.0000 51927.5185 -110131.0292 298.4282 -162058.5477 -109761.5564 298.0145 -278.6323 -250.7967 760661.0768 -11.7544 -11.8005 PRESSURE: 2433400 -183.645 -92.8057 141.915 -92.8066 74.193 186.907 141.913 186.908 159.14 GPRESSURE: 2433400 -184.685 7.17488 116.864 -100.526 221.545 206.484 1.32209 227.536 80.2526 PRESSAVG: 2433400 15.9717 -63.2672 -22.7996 -63.2672 -28.1976 8.01665 -22.7996 8.01666 22.6816 GPRESSAVG: 2433400 14.8672 -61.9916 -21.7385 -64.7835 -26.292 7.35393 -25.8522 7.22379 21.6877 TIMING: 2433400 CPU: 7764.91, 0.00313869/step Wall: 7764.91, 0.00313869/step, 2.23771 hours remaining, 240.550781 MB of memory in use. ENERGY: 2433400 3946.4734 20492.8698 14465.9249 238.8935 -203728.3440 2453.4834 0.0000 0.0000 51850.2870 -110280.4119 297.9843 -162130.6989 -109928.3401 297.8204 16.5624 39.0376 759309.8463 3.4852 3.4210 PRESSURE: 2433600 51.7677 -136.868 204.649 -136.868 64.6541 246.446 204.649 246.445 -59.4005 GPRESSURE: 2433600 142.191 -194.478 134.966 -157.672 11.4118 273.799 175.75 128.389 0.168585 PRESSAVG: 2433600 14.9703 -67.0663 -10.8708 -67.0664 31.1877 7.55872 -10.8709 7.55876 -0.722079 GPRESSAVG: 2433600 14.9081 -70.4709 -12.3989 -65.9781 29.5846 7.95711 -10.0575 9.18413 0.521599 TIMING: 2433600 CPU: 7765.53, 0.00313757/step Wall: 7765.53, 0.00313757/step, 2.23674 hours remaining, 240.550781 MB of memory in use. ENERGY: 2433600 3972.2728 20446.3469 14463.0284 269.1106 -203865.6906 2850.0315 0.0000 0.0000 51803.4202 -110061.4802 297.7150 -161864.9004 -109693.2098 298.2238 19.0071 51.2572 761818.1311 15.1453 15.0048 PRESSURE: 2433800 198.843 133.724 35.5682 133.724 221.654 -155.09 35.5685 -155.091 172.985 GPRESSURE: 2433800 187.881 68.1727 89.3806 31.1556 305.238 -193.625 20.2721 -164.023 194.997 PRESSAVG: 2433800 -34.6704 -42.2194 8.81277 -42.2194 -11.9476 12.417 8.81283 12.4172 -11.3482 GPRESSAVG: 2433800 -34.6308 -41.4574 9.85548 -43.4962 -12.7034 11.9695 8.45089 10.4471 -10.8276 TIMING: 2433800 CPU: 7766.16, 0.00313148/step Wall: 7766.16, 0.00313148/step, 2.23222 hours remaining, 240.550781 MB of memory in use. ENERGY: 2433800 3941.7872 20349.3484 14421.0455 243.4074 -203675.4411 2848.0435 0.0000 0.0000 51745.9106 -110125.8985 297.3845 -161871.8091 -109770.6810 297.8315 197.8271 229.3721 761945.2069 -19.3220 -19.3873 PRESSURE: 2434000 303.379 66.666 -121.793 66.6661 -265.353 297.607 -121.792 297.609 -94.4136 GPRESSURE: 2434000 321.558 187.732 -75.7721 72.6991 -189.995 363.046 -24.7899 225.682 -115.083 PRESSAVG: 2434000 -3.08652 -36.2849 28.5604 -36.2849 3.28428 -9.41454 28.5604 -9.41453 -4.98454 GPRESSAVG: 2434000 -2.5382 -34.1505 28.4426 -36.5587 3.23619 -9.99086 29.181 -8.53596 -6.02951 TIMING: 2434000 CPU: 7766.79, 0.00314687/step Wall: 7766.79, 0.00314687/step, 2.24302 hours remaining, 240.550781 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: 2434000 4006.1667 20325.6806 14505.8250 235.6879 -203723.6502 2689.6591 0.0000 0.0000 51694.1628 -110266.4681 297.0871 -161960.6310 -109906.6844 297.0920 -18.7960 5.4933 760199.1764 -1.5956 -1.7772 PRESSURE: 2434200 44.8221 -35.0043 82.6021 -35.0048 98.8138 103.525 82.6026 103.526 -99.4412 GPRESSURE: 2434200 108.542 -31.8316 84.2361 -73.4669 118.543 144.763 -2.1671 156.064 -89.9084 PRESSAVG: 2434200 -28.223 -40.4373 -27.6125 -40.4373 16.9213 23.2865 -27.6125 23.2866 16.3723 GPRESSAVG: 2434200 -28.7454 -40.4759 -27.5728 -42.2802 16.5434 23.5464 -29.8145 23.8794 17.5193 TIMING: 2434200 CPU: 7767.42, 0.00315238/step Wall: 7767.42, 0.00315238/step, 2.24677 hours remaining, 240.550781 MB of memory in use. ENERGY: 2434200 3970.4244 20377.2933 14440.2848 249.8822 -203736.0706 2778.3404 0.0000 0.0000 51822.6321 -110097.2135 297.8254 -161919.8455 -109740.3328 297.3267 14.7316 45.7255 760293.1518 1.6902 1.7725 PRESSURE: 2434400 -210.946 -166.41 57.6241 -166.41 -391.994 94.3068 57.6246 94.3057 -346.032 GPRESSURE: 2434400 -136.473 -64.0102 3.06062 -58.1739 -335.751 146.746 142.13 79.2535 -373.724 PRESSAVG: 2434400 42.3852 -105.444 32.628 -105.444 18.5575 -2.6762 32.628 -2.6762 -17.7877 GPRESSAVG: 2434400 43.4399 -103.568 30.6957 -104.978 19.802 -1.48679 35.6516 -4.62957 -19.5598 TIMING: 2434400 CPU: 7768.05, 0.00314586/step Wall: 7768.05, 0.00314586/step, 2.24195 hours remaining, 240.550781 MB of memory in use. ENERGY: 2434400 3986.8085 20454.4686 14436.2355 244.2403 -203244.8913 2215.8334 0.0000 0.0000 51862.4912 -110044.8139 298.0544 -161907.3051 -109684.2721 297.6854 -316.3239 -281.9828 760573.8406 14.3850 14.5607 PRESSURE: 2434600 334.726 56.6335 183.279 56.6332 38.9073 -146.431 183.278 -146.431 346.14 GPRESSURE: 2434600 341.365 62.6761 182.415 -39.297 136.516 -159.244 260.873 -33.6998 326.526 PRESSAVG: 2434600 49.4842 -58.484 9.57965 -58.4839 -57.1197 1.20868 9.5797 1.20871 -23.4754 GPRESSAVG: 2434600 48.0358 -59.9871 11.5156 -56.4598 -55.9296 0.33148 9.07932 2.73427 -23.5487 TIMING: 2434600 CPU: 7768.68, 0.00314759/step Wall: 7768.68, 0.00314759/step, 2.24301 hours remaining, 240.550781 MB of memory in use. ENERGY: 2434600 3949.4721 20317.1749 14401.0480 246.8922 -203556.3676 2774.3101 0.0000 0.0000 51953.5578 -109913.9125 298.5778 -161867.4703 -109544.0082 298.2000 239.9244 268.1355 760374.8851 -10.3703 -10.4808 PRESSURE: 2434800 228.342 -72.155 -280.177 -72.1564 41.1196 -102.672 -280.178 -102.671 -315.95 GPRESSURE: 2434800 264.194 -17.3077 -278.143 -77.849 55.1735 -24.156 -195.398 -91.4745 -286.512 PRESSAVG: 2434800 89.2149 -49.4046 25.5334 -49.4046 -55.5342 3.18923 25.5334 3.18933 -7.42731 GPRESSAVG: 2434800 89.798 -49.8917 23.7092 -49.8108 -56.2005 3.12957 26.6539 2.31103 -6.77742 TIMING: 2434800 CPU: 7769.31, 0.00314945/step Wall: 7769.31, 0.00314945/step, 2.24415 hours remaining, 240.550781 MB of memory in use. ENERGY: 2434800 3909.9518 20469.3937 14447.0401 234.4091 -203697.7966 2670.1490 0.0000 0.0000 52005.9358 -109960.9171 298.8788 -161966.8529 -109593.9501 298.1827 -15.4962 10.9519 761695.0649 8.7511 8.9400 PRESSURE: 2435000 -237.158 90.5187 42.0012 90.5182 138.369 163.632 42.0009 163.631 -131.351 GPRESSURE: 2435000 -136.24 18.7031 1.00677 48.3184 141.07 79.7062 -33.4976 69.5503 -149.06 PRESSAVG: 2435000 13.5079 -92.2478 47.7065 -92.2478 -36.4653 38.8494 47.7065 38.8493 12.2952 GPRESSAVG: 2435000 12.4179 -90.8644 48.7964 -93.6426 -36.0404 38.6792 46.6788 38.3263 13.2118 TIMING: 2435000 CPU: 7769.94, 0.0031552/step Wall: 7769.94, 0.0031552/step, 2.24808 hours remaining, 240.550781 MB of memory in use. ENERGY: 2435000 3947.3054 20387.3002 14382.9087 226.4990 -203774.5810 2624.0394 0.0000 0.0000 51922.3418 -110284.1865 298.3984 -162206.5283 -109920.4904 298.1283 -76.7135 -48.0771 758595.7150 -3.5540 -3.4702 PRESSURE: 2435200 -217.198 -112.441 -91.5487 -112.44 -125.655 52.9014 -91.5487 52.9007 -379.306 GPRESSURE: 2435200 -110.706 -148.037 -114.775 -21.2839 -126.475 -34.5563 -96.0137 194.531 -396.857 PRESSAVG: 2435200 -29.476 -28.6489 38.8582 -28.6489 26.9276 42.9434 38.8582 42.9434 11.1407 GPRESSAVG: 2435200 -27.9867 -28.3661 38.5218 -27.9589 25.3442 41.4774 36.0955 45.4189 11.4212 TIMING: 2435200 CPU: 7770.57, 0.00315043/step Wall: 7770.57, 0.00315043/step, 2.2445 hours remaining, 240.550781 MB of memory in use. ENERGY: 2435200 3878.9662 20442.4633 14355.9510 269.7021 -203382.8039 2192.0731 0.0000 0.0000 51987.3842 -110256.2639 298.7722 -162243.6482 -109888.0383 297.4210 -240.7197 -211.3460 760307.2733 2.8641 2.9262 PRESSURE: 2435400 -245.815 -25.1419 109.487 -25.1413 -180.648 60.3942 109.486 60.3938 -168.939 GPRESSURE: 2435400 -272.06 -31.9553 77.1107 1.84182 -126.716 94.7884 62.3106 86.8194 -127.176 PRESSAVG: 2435400 38.408 -72.3791 3.6047 -72.3791 -7.23984 24.9735 3.60471 24.9734 13.4057 GPRESSAVG: 2435400 38.1389 -74.5123 4.46819 -69.7824 -6.43213 26.0037 4.11579 24.9742 12.9432 TIMING: 2435400 CPU: 7771.2, 0.00313636/step Wall: 7771.2, 0.00313636/step, 2.23431 hours remaining, 240.550781 MB of memory in use. ENERGY: 2435400 3928.4515 20296.2678 14471.8207 245.7932 -203417.0877 2467.9366 0.0000 0.0000 51875.5300 -110131.2879 298.1294 -162006.8179 -109770.0530 297.7025 -198.4673 -175.3177 761579.7565 14.8580 14.8833 PRESSURE: 2435600 -262.934 285.421 -91.9562 285.421 -89.0662 190.183 -91.9559 190.183 -618.434 GPRESSURE: 2435600 -150.132 200.301 -103.69 303.302 -64.0103 261.898 -52.1032 137.578 -664.772 PRESSAVG: 2435600 47.2425 -47.3768 17.6698 -47.3767 17.9476 -57.8479 17.6698 -57.848 -24.6168 GPRESSAVG: 2435600 45.824 -47.4705 18.8152 -47.6415 19.2578 -58.0748 19.1384 -58.8792 -23.7544 TIMING: 2435600 CPU: 7771.82, 0.00312976/step Wall: 7771.82, 0.00312976/step, 2.22943 hours remaining, 240.550781 MB of memory in use. ENERGY: 2435600 4048.1539 20366.7031 14395.2676 247.8929 -203206.1499 2116.6662 0.0000 0.0000 51996.8206 -110034.6456 298.8264 -162031.4661 -109676.4558 297.7201 -323.4781 -292.9714 759458.4131 13.5245 13.7758 PRESSURE: 2435800 158.414 50.372 -18.9287 50.3725 -123.986 -159.82 -18.9294 -159.822 -33.4516 GPRESSURE: 2435800 245.209 45.4594 -160.451 260.757 -122.274 -224.101 -18.5293 -223.861 -52.2782 PRESSAVG: 2435800 -27.1854 -12.3917 0.492003 -12.3916 -56.2359 -39.4376 0.492034 -39.4375 -1.4928 GPRESSAVG: 2435800 -24.3191 -13.338 -0.421661 -12.3263 -57.5731 -36.7862 0.369296 -41.767 -2.2649 TIMING: 2435800 CPU: 7772.45, 0.00312057/step Wall: 7772.45, 0.00312057/step, 2.22271 hours remaining, 240.550781 MB of memory in use. ENERGY: 2435800 3971.1634 20404.5809 14423.8737 243.8247 -203526.3986 2722.5632 0.0000 0.0000 51879.4020 -109880.9906 298.1516 -161760.3926 -109515.0444 298.1581 0.3253 23.5523 761137.7434 -28.3047 -28.0524 PRESSURE: 2436000 237.087 1.40327 117.985 1.4044 -75.8346 15.0006 117.986 15.0008 -315.054 GPRESSURE: 2436000 191.452 -32.8037 208.269 -20.4905 -29.2384 -13.5867 160.432 75.4008 -215.292 PRESSAVG: 2436000 23.9108 -30.0665 -23.5747 -30.0665 -28.1888 -23.0852 -23.5747 -23.0853 2.74704 GPRESSAVG: 2436000 22.8287 -28.6879 -24.1362 -32.1517 -28.3548 -23.4948 -21.8816 -22.8992 3.84364 TIMING: 2436000 CPU: 7773.07, 0.00313603/step Wall: 7773.07, 0.00313603/step, 2.23355 hours remaining, 240.550781 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: 2436000 3976.2708 20581.5666 14476.0350 254.8049 -203408.2252 2562.2635 0.0000 0.0000 51746.9985 -109810.2858 297.3907 -161557.2843 -109453.5283 298.7094 -51.2672 -17.6929 761660.5498 -0.5103 -0.5608 PRESSURE: 2436200 -191.504 101.659 49.0988 101.658 304.646 1.06965 49.0978 1.06984 181.086 GPRESSURE: 2436200 -177.825 102.055 -4.30182 55.4706 321.284 46.3833 40.0473 -78.3349 220.531 PRESSAVG: 2436200 -24.109 12.5461 -54.0657 12.5461 -1.97982 3.45146 -54.0657 3.45132 -3.31418 GPRESSAVG: 2436200 -23.8744 12.5462 -52.7806 13.0572 -1.30689 1.99233 -54.6165 4.9864 -4.55329 TIMING: 2436200 CPU: 7773.7, 0.00312571/step Wall: 7773.7, 0.00312571/step, 2.22603 hours remaining, 240.550781 MB of memory in use. ENERGY: 2436200 4014.7341 20531.6844 14420.6614 237.7450 -203492.6489 2508.4865 0.0000 0.0000 51827.1415 -109952.1960 297.8513 -161779.3376 -109594.4457 298.0236 98.0763 121.3301 760273.1808 -9.8010 -9.9115 LDB: ============= START OF LOAD BALANCING ============== 7786.15 LDB: ============== END OF LOAD BALANCING =============== 7786.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7786.15 LDB: ============= START OF LOAD BALANCING ============== 7786.47 LDB: Largest compute 7044 load 0.035728 is 18.3% of average load 0.195259 LDB: Average compute 0.004384 is 2.2% of average load 0.195259 LDB: TIME 7786.47 LOAD: AVG 0.195259 MAX 0.215161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 7786.47 LOAD: AVG 0.195259 MAX 0.215161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.652 MB LDB: TIME 7786.47 LOAD: AVG 0.195259 MAX 0.215161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.652 MB LDB: ============== END OF LOAD BALANCING =============== 7786.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7786.48 PRESSURE: 2436400 -58.1088 154.396 -159.489 154.395 -8.91882 2.7775 -159.488 2.77669 170.844 GPRESSURE: 2436400 -44.2584 173.74 -154.126 215.246 13.1218 -35.8845 -123.12 85.7831 218.761 PRESSAVG: 2436400 11.501 -1.72404 -38.4163 -1.72407 14.3148 -74.6962 -38.4163 -74.6962 -16.5876 GPRESSAVG: 2436400 11.7736 -2.09144 -39.7648 -0.387142 13.6112 -73.9953 -40.3138 -73.5534 -16.2394 TIMING: 2436400 CPU: 7774.34, 0.00320503/step Wall: 7774.34, 0.00320503/step, 2.28234 hours remaining, 241.628906 MB of memory in use. ENERGY: 2436400 4042.5981 20443.7892 14479.9174 236.3457 -203686.9521 2500.6559 0.0000 0.0000 52004.7086 -109978.9371 298.8718 -161983.6458 -109613.8544 298.4824 34.6053 62.5415 758755.5889 3.0761 3.0485 PRESSURE: 2436600 36.8439 2.87454 -160.437 2.87537 213.618 68.2248 -160.437 68.2255 99.556 GPRESSURE: 2436600 94.6277 22.164 -172.435 60.6263 202.862 23.9667 -34.4358 -27.6313 148.995 PRESSAVG: 2436600 -16.3656 -58.5109 2.71476 -58.5109 -0.914162 -31.6624 2.71474 -31.6624 -10.7706 GPRESSAVG: 2436600 -15.6804 -54.9833 3.25394 -60.3215 -1.78043 -30.9231 3.40883 -32.9545 -10.6045 TIMING: 2436600 CPU: 7774.97, 0.00314241/step Wall: 7774.97, 0.00314241/step, 2.23757 hours remaining, 241.628906 MB of memory in use. ENERGY: 2436600 3890.1362 20500.2954 14419.8175 249.7763 -203598.7533 2553.0456 0.0000 0.0000 52028.1182 -109957.5641 299.0063 -161985.6823 -109582.0207 298.6309 116.6728 148.8282 759662.5732 -9.3501 -9.3551 PRESSURE: 2436800 10.4367 7.08314 -182.582 7.08281 79.4804 -67.807 -182.582 -67.8072 -121.026 GPRESSURE: 2436800 103.429 -27.2705 -212.953 -81.1812 -24.1564 -58.5115 -122.911 -97.0056 -16.7119 PRESSAVG: 2436800 3.96477 7.50255 10.7777 7.50256 -10.0683 21.0132 10.7777 21.0131 -10.42 GPRESSAVG: 2436800 4.33454 4.8229 11.6467 7.45433 -10.187 20.7048 10.9507 21.3518 -10.7065 TIMING: 2436800 CPU: 7775.59, 0.00313097/step Wall: 7775.59, 0.00313097/step, 2.22925 hours remaining, 241.628906 MB of memory in use. ENERGY: 2436800 3982.4024 20567.1213 14395.9626 241.7516 -203292.1760 2432.4382 0.0000 0.0000 51733.4915 -109939.0084 297.3131 -161672.4999 -109576.1824 298.4931 -10.3696 20.8536 760549.1232 -5.5078 -5.5196 PRESSURE: 2437000 -367.394 198.035 -54.5911 198.035 -93.2975 -254.931 -54.5899 -254.929 178.137 GPRESSURE: 2437000 -359.965 233.2 -30.0525 252.783 -56.2862 -200.53 -136.593 -402.92 221.644 PRESSAVG: 2437000 55.7717 -21.1069 -53.0191 -21.1069 -11.9857 19.9757 -53.0191 19.9757 -12.6774 GPRESSAVG: 2437000 54.0877 -21.6572 -53.9778 -21.3026 -11.095 20.0827 -52.4181 18.837 -11.9872 TIMING: 2437000 CPU: 7776.22, 0.00312798/step Wall: 7776.22, 0.00312798/step, 2.22695 hours remaining, 241.628906 MB of memory in use. ENERGY: 2437000 3966.7434 20421.0338 14365.3325 250.4492 -203642.9216 2707.3524 0.0000 0.0000 51938.3649 -109993.6453 298.4905 -161932.0102 -109632.2821 298.5458 -94.1847 -64.8690 761809.9789 10.3696 10.3351 PRESSURE: 2437200 -11.7741 -98.7657 -277.554 -98.7664 369.685 261.558 -277.555 261.558 -200.3 GPRESSURE: 2437200 -35.0084 -10.8726 -150.416 -76.6896 424.002 283.241 -288.7 206.369 -158.535 PRESSAVG: 2437200 -44.3428 29.4155 -3.21849 29.4155 13.184 4.60314 -3.21856 4.60314 -15.6982 GPRESSAVG: 2437200 -43.4052 29.9827 -2.24891 30.6683 13.1696 5.28195 -2.12188 5.49976 -16.6713 TIMING: 2437200 CPU: 7776.85, 0.00314277/step Wall: 7776.85, 0.00314277/step, 2.2373 hours remaining, 241.628906 MB of memory in use. ENERGY: 2437200 3934.9864 20547.8541 14513.2855 244.4519 -203655.6267 2695.5415 0.0000 0.0000 51821.7786 -109897.7286 297.8205 -161719.5073 -109537.9510 298.1802 52.5368 76.8194 759190.3571 -15.6190 -15.6356 PRESSURE: 2437400 -105.238 60.9686 -4.54299 60.9684 -191.089 -111.892 -4.54308 -111.892 61.7585 GPRESSURE: 2437400 -64.5628 6.7549 41.7766 129.393 -76.6559 -83.2877 -128.568 -144.373 -13.3515 PRESSAVG: 2437400 -12.7013 -48.7328 18.4712 -48.7328 17.7017 31.9094 18.4711 31.9094 1.73057 GPRESSAVG: 2437400 -12.8045 -47.9056 17.5244 -50.2475 17.7403 31.6193 17.1572 33.1264 1.95152 TIMING: 2437400 CPU: 7777.48, 0.00313893/step Wall: 7777.48, 0.00313893/step, 2.2344 hours remaining, 241.628906 MB of memory in use. ENERGY: 2437400 3986.8184 20245.8923 14426.5263 250.3748 -203538.5748 2603.9719 0.0000 0.0000 51916.9575 -110108.0337 298.3675 -162024.9912 -109749.7459 297.9785 -78.1897 -51.5234 759710.5370 2.2436 2.2958 PRESSURE: 2437600 93.737 -172.797 -63.9781 -172.798 -85.1796 201.386 -63.9781 201.386 -24.852 GPRESSURE: 2437600 112.238 -100.658 -158.851 -111.101 -8.43569 201.796 150.698 289.973 -36.7296 PRESSAVG: 2437600 42.0438 -37.809 -48.7385 -37.8091 -14.8558 4.05271 -48.7385 4.05268 -10.6488 GPRESSAVG: 2437600 41.4694 -39.2576 -47.3728 -36.8973 -15.4017 3.76922 -48.072 4.17025 -9.69711 TIMING: 2437600 CPU: 7778.1, 0.00313795/step Wall: 7778.1, 0.00313795/step, 2.23352 hours remaining, 241.628906 MB of memory in use. ENERGY: 2437600 4051.5144 20545.0182 14458.8115 254.9272 -203463.9772 2499.9630 0.0000 0.0000 51685.4541 -109968.2887 297.0370 -161653.7428 -109620.1676 297.9384 -5.4316 22.3574 760867.8705 5.5131 5.4569 PRESSURE: 2437800 213.565 70.9381 -251.983 70.9379 156.27 -188.72 -251.982 -188.719 103.286 GPRESSURE: 2437800 306.55 49.0995 -298.338 96.5887 193.816 -164.17 -223.883 -218.349 70.733 PRESSAVG: 2437800 -0.655165 -97.7954 4.2367 -97.7954 -15.7806 -18.5304 4.23669 -18.5304 -7.29198 GPRESSAVG: 2437800 -0.483381 -98.4548 4.44397 -97.8531 -15.1431 -17.6176 2.15923 -18.8723 -7.74427 TIMING: 2437800 CPU: 7778.73, 0.00312218/step Wall: 7778.73, 0.00312218/step, 2.22213 hours remaining, 241.628906 MB of memory in use. ENERGY: 2437800 3986.7051 20548.5787 14449.9091 232.9062 -204080.4034 3050.2702 0.0000 0.0000 51877.1398 -109934.8944 298.1386 -161812.0342 -109580.4640 298.2571 157.7072 190.3665 759998.5409 -7.9092 -7.7902 PRESSURE: 2438000 -158.598 -205.802 -83.3996 -205.802 188.717 85.6741 -83.3998 85.673 208.425 GPRESSURE: 2438000 -52.424 -215.364 -123.781 -87.1586 195.467 26.9052 -46.4073 100.841 175.924 PRESSAVG: 2438000 35.3444 -85.7489 -5.43085 -85.7488 -27.7256 0.956979 -5.43083 0.95695 50.6246 GPRESSAVG: 2438000 34.6185 -83.424 -5.78931 -85.199 -27.208 0.587404 -5.28817 1.1885 50.1165 TIMING: 2438000 CPU: 7779.36, 0.0031374/step Wall: 7779.36, 0.0031374/step, 2.23278 hours remaining, 241.628906 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: 2438000 3950.6065 20531.5413 14379.4993 251.2040 -203705.9114 2820.9646 0.0000 0.0000 51647.0209 -110125.0747 296.8161 -161772.0956 -109778.1658 298.1079 79.5146 106.3223 761852.4942 19.4145 19.1757 PRESSURE: 2438200 298.345 109.446 -61.4345 109.445 125.063 -240.706 -61.4343 -240.706 376.217 GPRESSURE: 2438200 403.537 123.348 -95.6364 255.261 104.076 -194.655 78.873 -265.877 396.158 PRESSAVG: 2438200 -6.9223 -16.1446 46.6468 -16.1445 -26.5347 4.30397 46.6467 4.30396 21.1523 GPRESSAVG: 2438200 -4.71982 -18.6174 44.9049 -14.4411 -28.1527 5.49498 47.8544 4.37398 20.7099 TIMING: 2438200 CPU: 7779.98, 0.0031207/step Wall: 7779.98, 0.0031207/step, 2.22072 hours remaining, 241.628906 MB of memory in use. ENERGY: 2438200 3997.6933 20429.9892 14379.0221 256.1068 -203641.4538 2602.2950 0.0000 0.0000 51879.9960 -110096.3515 298.1550 -161976.3475 -109738.8876 297.9776 266.5416 301.2571 760057.4102 -4.1016 -4.0542 PRESSURE: 2438400 45.1402 69.4471 117.511 69.4467 -67.1973 -131.376 117.511 -131.377 -41.9353 GPRESSURE: 2438400 0.0559953 -49.0692 -43.1294 19.6058 12.2611 -181.271 229.614 -95.6203 17.9 PRESSAVG: 2438400 5.52344 -20.8723 49.2352 -20.8723 43.8318 -34.4624 49.2352 -34.4624 2.90468 GPRESSAVG: 2438400 4.38851 -23.0647 49.5597 -20.4573 44.879 -36.1326 49.8661 -34.4515 2.7544 TIMING: 2438400 CPU: 7780.61, 0.00314047/step Wall: 7780.61, 0.00314047/step, 2.23462 hours remaining, 241.628906 MB of memory in use. ENERGY: 2438400 3983.4307 20496.5321 14417.5868 248.0717 -203171.2955 2475.3355 0.0000 0.0000 51562.9339 -109987.4048 296.3329 -161550.3388 -109625.3870 298.3540 -21.3308 10.0723 761346.8443 17.4200 17.3407 PRESSURE: 2438600 140.869 -15.6097 105.358 -15.6097 -142.902 -293.015 105.359 -293.017 -10.6844 GPRESSURE: 2438600 123.908 -93.8513 97.9862 20.3321 -111.771 -330.115 160.358 -207.552 77.4717 PRESSAVG: 2438600 -39.0283 37.6826 10.7306 37.6826 -0.908283 -20.0716 10.7306 -20.0716 23.5031 GPRESSAVG: 2438600 -38.8096 37.8205 10.9407 35.2958 -1.40421 -19.4772 9.01139 -21.0412 24.7613 TIMING: 2438600 CPU: 7781.23, 0.0031286/step Wall: 7781.23, 0.0031286/step, 2.226 hours remaining, 241.628906 MB of memory in use. ENERGY: 2438600 3880.0022 20421.3344 14439.6658 241.4828 -203451.8003 2576.3651 0.0000 0.0000 52026.5386 -109866.4115 298.9972 -161892.9500 -109499.8961 298.2349 -4.2391 29.8696 760634.3126 -5.4778 -5.1508 PRESSURE: 2438800 148.154 161.327 79.3748 161.327 123.905 -90.7525 79.3753 -90.7503 146.417 GPRESSURE: 2438800 165.402 149.98 141.988 33.8858 68.3827 -140.462 150.087 -68.8418 250.411 PRESSAVG: 2438800 -22.7882 3.82569 42.9585 3.82567 81.1414 -37.9191 42.9585 -37.9189 15.0074 GPRESSAVG: 2438800 -23.1405 5.58247 43.3637 3.47542 82.9164 -40.3802 44.5781 -37.2893 13.8551 TIMING: 2438800 CPU: 7781.86, 0.00313538/step Wall: 7781.86, 0.00313538/step, 2.23065 hours remaining, 241.628906 MB of memory in use. ENERGY: 2438800 3921.6030 20538.9950 14506.0161 251.8525 -203633.9677 2597.3831 0.0000 0.0000 52147.6732 -109670.4448 299.6934 -161818.1180 -109324.2474 298.5455 139.4919 161.3986 758859.8946 24.4535 24.5437 PRESSURE: 2439000 123.691 -54.426 109.044 -54.4246 167.426 1.70429 109.044 1.70335 149.546 GPRESSURE: 2439000 53.4604 -21.0285 157.089 -17.6987 277.279 -58.4736 7.97875 67.572 192.808 PRESSAVG: 2439000 1.20764 25.5935 -15.9205 25.5935 -17.7268 -0.925173 -15.9205 -0.925167 -22.1357 GPRESSAVG: 2439000 1.86576 26.8256 -16.628 25.8945 -18.4781 1.15978 -17.5945 -0.572336 -21.464 TIMING: 2439000 CPU: 7782.49, 0.00314193/step Wall: 7782.49, 0.00314193/step, 2.23514 hours remaining, 241.628906 MB of memory in use. ENERGY: 2439000 3958.7613 20598.3107 14412.2245 270.8297 -203413.6124 2798.3271 0.0000 0.0000 51743.8165 -109631.3426 297.3724 -161375.1591 -109281.3515 298.9227 146.8877 174.5156 760845.6047 -12.8850 -12.6921 PRESSURE: 2439200 -425.179 56.2977 -123.061 56.2982 -38.0245 169.21 -123.062 169.21 -106.927 GPRESSURE: 2439200 -248.569 68.706 17.816 51.6022 -73.6003 261.143 -96.6436 222.76 -150.5 PRESSAVG: 2439200 -16.2437 17.8086 18.1881 17.8086 -12.8376 36.9285 18.188 36.9286 -5.91337 GPRESSAVG: 2439200 -15.3651 17.2859 18.7833 16.6679 -12.4224 36.4746 17.6294 36.4422 -7.10779 TIMING: 2439200 CPU: 7783.12, 0.00314471/step Wall: 7783.12, 0.00314471/step, 2.23694 hours remaining, 241.628906 MB of memory in use. ENERGY: 2439200 3966.0641 20477.2507 14518.8478 254.2906 -202813.0092 2061.5761 0.0000 0.0000 52051.6397 -109483.3403 299.1415 -161534.9800 -109120.5340 298.6827 -190.0436 -157.5566 759607.9054 -11.6649 -11.6318 PRESSURE: 2439400 197.576 -194.439 -68.3914 -194.44 138.39 163.034 -68.3909 163.035 -347.526 GPRESSURE: 2439400 271.782 -226.025 -77.5586 -104.518 86.658 149.938 -152.49 136.948 -273.196 PRESSAVG: 2439400 4.55269 27.3851 -35.7614 27.3851 -6.99184 30.8379 -35.7614 30.8379 -12.6558 GPRESSAVG: 2439400 4.34938 26.9002 -35.6368 28.0035 -6.7544 31.3587 -35.4869 28.7705 -12.6512 TIMING: 2439400 CPU: 7783.75, 0.00313566/step Wall: 7783.75, 0.00313566/step, 2.23032 hours remaining, 241.628906 MB of memory in use. ENERGY: 2439400 3970.9847 20405.9510 14502.2452 251.1389 -203403.1542 2551.1410 0.0000 0.0000 52096.7718 -109624.9215 299.4009 -161721.6933 -109257.1617 299.1957 -3.8535 28.4146 759410.3166 -5.0317 -5.0187 PRESSURE: 2439600 -177.752 29.3356 16.964 29.3362 -168.726 -231.614 16.9643 -231.614 -134.432 GPRESSURE: 2439600 -168.027 47.4847 123.514 22.5721 -82.3986 -160.483 121.183 -120.787 -138.215 PRESSAVG: 2439600 6.2526 -20.0084 -28.9499 -20.0084 2.94885 -4.85453 -28.95 -4.85445 -6.21918 GPRESSAVG: 2439600 6.25175 -20.3555 -30.0026 -17.9675 2.38547 -3.58941 -29.9411 -5.2597 -6.21976 TIMING: 2439600 CPU: 7784.38, 0.00316808/step Wall: 7784.38, 0.00316808/step, 2.25321 hours remaining, 241.628906 MB of memory in use. ENERGY: 2439600 4039.5352 20410.0504 14476.5319 246.2747 -202903.9469 2113.6560 0.0000 0.0000 51927.0927 -109690.8061 298.4257 -161617.8988 -109334.1353 299.0793 -160.3035 -129.5466 761279.5175 0.9941 0.8058 PRESSURE: 2439800 70.9623 119.529 85.0889 119.529 243.915 50.4041 85.0893 50.4047 404.892 GPRESSURE: 2439800 96.7036 106.626 30.2812 55.6632 295.313 125.154 72.7418 98.7431 393.487 PRESSAVG: 2439800 -16.1398 -23.3004 47.201 -23.3004 22.8526 54.8973 47.201 54.8973 3.05719 GPRESSAVG: 2439800 -16.5553 -22.5946 47.5719 -24.1407 22.2376 55.1471 49.0466 56.047 3.72125 TIMING: 2439800 CPU: 7785.01, 0.00313864/step Wall: 7785.01, 0.00313864/step, 2.2321 hours remaining, 241.628906 MB of memory in use. ENERGY: 2439800 3939.4592 20491.5581 14475.3816 234.9276 -203525.2648 2773.8766 0.0000 0.0000 52046.0580 -109564.0036 299.1094 -161610.0616 -109206.2128 298.7459 239.9231 261.8346 761284.1997 3.2567 3.1345 PRESSURE: 2440000 356.833 58.1607 -104.786 58.161 271.999 235.599 -104.786 235.6 474.9 GPRESSURE: 2440000 362.617 -10.4497 -36.8881 103.032 344.337 286.244 -52.212 67.1522 491.002 PRESSAVG: 2440000 -40.386 -26.3569 36.8291 -26.3569 49.3094 -1.58903 36.8291 -1.58902 -1.49213 GPRESSAVG: 2440000 -40.579 -24.8998 37.9557 -27.4884 48.1854 -3.5336 34.5094 -1.99137 -0.454978 TIMING: 2440000 CPU: 7785.64, 0.00314228/step Wall: 7785.64, 0.00314228/step, 2.23451 hours remaining, 241.628906 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: 2440000 3928.5343 20506.7008 14417.9465 269.1903 -203849.7132 3049.3569 0.0000 0.0000 52260.3886 -109417.5958 300.3412 -161677.9843 -109048.0425 299.4957 367.9108 399.3187 760620.9194 2.4771 2.3838 PRESSURE: 2440200 -229.557 -218.401 -7.0618 -218.401 -442.296 101.122 -7.06217 101.123 -197.766 GPRESSURE: 2440200 -302.48 -168.139 11.6168 -245.489 -300.163 83.8358 -15.1745 -35.1602 -167.373 PRESSAVG: 2440200 -0.529699 -10.0076 -15.3977 -10.0076 60.3764 -27.4594 -15.3977 -27.4595 -7.30074 GPRESSAVG: 2440200 -0.191056 -9.59593 -16.8693 -10.5355 61.6125 -27.3082 -12.5733 -28.0838 -8.72063 TIMING: 2440200 CPU: 7786.26, 0.00312634/step Wall: 7786.26, 0.00312634/step, 2.223 hours remaining, 241.628906 MB of memory in use. ENERGY: 2440200 3983.0288 20518.4008 14425.5829 234.0982 -202993.8098 2309.8202 0.0000 0.0000 52033.8910 -109488.9879 299.0395 -161522.8789 -109126.9834 299.5821 -289.8732 -256.6721 761864.7968 17.5153 17.5669 LDB: ============= START OF LOAD BALANCING ============== 7798.71 LDB: ============== END OF LOAD BALANCING =============== 7798.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7798.71 LDB: ============= START OF LOAD BALANCING ============== 7799.03 LDB: Largest compute 7026 load 0.035483 is 18.2% of average load 0.195341 LDB: Average compute 0.004371 is 2.2% of average load 0.195341 LDB: TIME 7799.03 LOAD: AVG 0.195341 MAX 0.215173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.449 MB LDB: TIME 7799.03 LOAD: AVG 0.195341 MAX 0.215173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: TIME 7799.03 LOAD: AVG 0.195341 MAX 0.215173 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.453 MB LDB: ============== END OF LOAD BALANCING =============== 7799.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7799.04 PRESSURE: 2440400 -113.815 -33.1601 208.885 -33.1602 -264.327 -54.4475 208.884 -54.4471 12.0235 GPRESSURE: 2440400 -84.4504 -104.929 278.004 75.2624 -165.37 -38.4938 208.718 -174.618 -16.9262 PRESSAVG: 2440400 -4.12133 -23.2694 30.5278 -23.2694 -7.99491 -21.9245 30.5278 -21.9245 6.49762 GPRESSAVG: 2440400 -5.65657 -25.4377 30.8281 -20.3367 -6.4102 -22.8155 28.6443 -20.9161 6.42514 TIMING: 2440400 CPU: 7786.9, 0.00320455/step Wall: 7786.9, 0.00320455/step, 2.27844 hours remaining, 238.812500 MB of memory in use. ENERGY: 2440400 4055.2711 20551.8220 14465.3066 260.4375 -203085.5095 2521.9802 0.0000 0.0000 51911.3389 -109319.3532 298.3352 -161230.6920 -108960.6496 299.0784 -122.0396 -88.9156 760823.3668 -1.8729 -1.8805 PRESSURE: 2440600 115.84 106.922 4.9255 106.922 -96.5639 -64.4072 4.92559 -64.4083 124.56 GPRESSURE: 2440600 120.828 -1.89238 -114.154 56.6872 -92.0855 -34.7763 55.8194 10.7355 186.294 PRESSAVG: 2440600 59.5871 32.0911 53.6707 32.091 -37.4026 -16.9086 53.6707 -16.9086 -0.613336 GPRESSAVG: 2440600 60.6112 30.9496 51.661 30.6404 -40.0378 -17.6549 53.8106 -16.2505 1.14373 TIMING: 2440600 CPU: 7787.53, 0.00314302/step Wall: 7787.53, 0.00314302/step, 2.23451 hours remaining, 238.812500 MB of memory in use. ENERGY: 2440600 3990.7149 20543.3471 14506.6206 255.5861 -203243.3168 2555.5900 0.0000 0.0000 52146.6682 -109244.7899 299.6876 -161391.4581 -108891.5016 299.7577 47.9452 71.6791 761941.7123 7.1904 7.2391 PRESSURE: 2440800 99.2339 91.3871 -160.709 91.3879 4.31394 -299.732 -160.709 -299.732 -63.5113 GPRESSURE: 2440800 114.779 114.88 -157.067 113.529 56.0847 -335.225 -192.09 -225.53 -33.4806 PRESSAVG: 2440800 -5.71374 -15.4595 39.5015 -15.4594 -61.7526 -27.5817 39.5014 -27.5817 14.7559 GPRESSAVG: 2440800 -5.48778 -14.7854 42.0565 -15.5255 -61.0383 -27.7535 40.7377 -26.8213 13.9031 TIMING: 2440800 CPU: 7788.16, 0.00314954/step Wall: 7788.16, 0.00314954/step, 2.23897 hours remaining, 238.812500 MB of memory in use. ENERGY: 2440800 4078.4668 20567.4811 14421.0047 233.8279 -203366.4695 2681.5240 0.0000 0.0000 52144.1300 -109240.0351 299.6730 -161384.1651 -108869.5614 299.5118 13.3455 45.7943 762096.9944 -17.5702 -17.5410 PRESSURE: 2441000 -425.213 177.746 231.002 177.746 80.5662 36.9015 231.002 36.9003 174.123 GPRESSURE: 2441000 -366.909 106.149 235.864 200.583 165.37 27.5186 112.292 80.6412 117.871 PRESSAVG: 2441000 35.8517 -21.5017 25.5099 -21.5018 -33.3683 10.6821 25.51 10.682 6.78782 GPRESSAVG: 2441000 36.6643 -21.9356 26.2241 -19.1788 -32.7704 11.4461 23.0701 10.5091 5.00533 TIMING: 2441000 CPU: 7788.79, 0.00315157/step Wall: 7788.79, 0.00315157/step, 2.24024 hours remaining, 238.812500 MB of memory in use. ENERGY: 2441000 4082.8017 20700.2063 14539.6944 241.0594 -203366.7793 2578.4556 0.0000 0.0000 51972.9251 -109251.6369 298.6891 -161224.5620 -108892.1099 299.9453 -56.8414 -27.8894 761721.9224 3.0904 2.9664 PRESSURE: 2441200 -280.017 -16.7461 -89.2807 -16.7457 52.3654 95.1545 -89.28 95.1549 -247.598 GPRESSURE: 2441200 -252.136 95.7593 -121.532 17.9115 -26.0641 77.9466 -111.418 22.8735 -117.467 PRESSAVG: 2441200 12.6059 -3.92791 -4.73248 -3.92785 -12.4986 -9.33223 -4.73247 -9.33227 -10.5682 GPRESSAVG: 2441200 11.8292 -3.03543 -6.73041 -6.63341 -12.1222 -7.95913 -3.34653 -10.2598 -10.0037 TIMING: 2441200 CPU: 7789.42, 0.00313793/step Wall: 7789.42, 0.00313793/step, 2.23037 hours remaining, 238.812500 MB of memory in use. ENERGY: 2441200 4028.8646 20792.9694 14406.0183 236.8399 -203054.1776 2303.1443 0.0000 0.0000 51809.8058 -109476.5353 297.7517 -161286.3411 -109123.5563 299.5241 -158.4166 -131.8891 760707.7665 -3.4870 -3.4323 PRESSURE: 2441400 77.7141 -232.551 -27.5437 -232.551 -70.3821 -19.5484 -27.5442 -19.5489 31.5099 GPRESSURE: 2441400 114.783 -286.552 -4.85909 -185 -61.7597 -9.4682 -0.184232 32.885 72.8529 PRESSAVG: 2441400 -27.6066 -71.2395 -12.4508 -71.2395 -3.15977 37.1536 -12.4508 37.1536 -2.82611 GPRESSAVG: 2441400 -26.907 -72.6157 -13.3284 -67.5299 -5.00512 36.0646 -12.4103 35.0747 -1.54161 TIMING: 2441400 CPU: 7790.04, 0.00313007/step Wall: 7790.04, 0.00313007/step, 2.22461 hours remaining, 238.812500 MB of memory in use. ENERGY: 2441400 4032.9472 20580.9231 14422.1571 255.2402 -203434.0286 2744.5845 0.0000 0.0000 52025.4059 -109372.7706 298.9907 -161398.1765 -108997.7942 299.4719 12.9473 41.9586 760747.2860 -11.1975 -11.1512 PRESSURE: 2441600 -177.999 76.1406 -178.526 76.1416 -247.104 -45.8272 -178.525 -45.8268 -193.79 GPRESSURE: 2441600 -99.2583 7.39603 -190.202 170.377 -176.152 -22.3551 -126.069 -172.94 -249.886 PRESSAVG: 2441600 37.3644 -13.6269 12.5621 -13.6269 -24.755 -31.2307 12.5621 -31.2307 -4.70688 GPRESSAVG: 2441600 36.2253 -11.6894 13.8698 -17.5981 -23.0746 -30.8078 13.3766 -29.0352 -5.38034 TIMING: 2441600 CPU: 7790.67, 0.00313906/step Wall: 7790.67, 0.00313906/step, 2.23083 hours remaining, 238.812500 MB of memory in use. ENERGY: 2441600 4016.3105 20524.1442 14438.3397 258.7271 -203242.1876 2436.9851 0.0000 0.0000 52263.8915 -109303.7895 300.3613 -161567.6810 -108939.6881 299.7477 -206.2979 -175.0986 762014.7226 2.6342 2.5901 PRESSURE: 2441800 -127.811 -72.1691 -43.874 -72.1685 125.298 84.1158 -43.8739 84.1151 -137.572 GPRESSURE: 2441800 -67.9484 -66.4045 14.8556 -69.9931 119.563 51.9899 -37.963 165.648 -104.784 PRESSAVG: 2441800 27.0623 32.5212 -29.1251 32.5211 -18.9913 -18.2036 -29.1251 -18.2035 4.71421 GPRESSAVG: 2441800 27.3788 31.8175 -28.9937 34.191 -19.6324 -17.7307 -29.3007 -18.3723 4.64145 TIMING: 2441800 CPU: 7791.3, 0.00314642/step Wall: 7791.3, 0.00314642/step, 2.23588 hours remaining, 238.812500 MB of memory in use. ENERGY: 2441800 4009.7787 20579.4476 14443.7878 249.0664 -203292.4182 2429.1406 0.0000 0.0000 52115.8364 -109465.3607 299.5104 -161581.1972 -109100.9508 299.3965 -46.6949 -17.7231 761610.4557 4.2618 4.1293 PRESSURE: 2442000 199.364 209.099 3.84901 209.098 -94.8621 -74.5328 3.84899 -74.5323 -407.697 GPRESSURE: 2442000 197.414 242.506 -23.3729 177.916 -66.5542 -21.7626 45.5126 70.5058 -337.106 PRESSAVG: 2442000 -8.88781 -15.6761 -17.2161 -15.6761 -34.1057 5.89013 -17.2162 5.89014 -8.30552 GPRESSAVG: 2442000 -8.92318 -14.9413 -17.1417 -18.1037 -33.6515 5.34524 -19.31 6.3137 -8.48729 TIMING: 2442000 CPU: 7791.93, 0.00314827/step Wall: 7791.93, 0.00314827/step, 2.23702 hours remaining, 238.812500 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: 2442000 4029.7032 20588.9658 14446.8866 252.7855 -203664.3862 2686.7434 0.0000 0.0000 52183.8945 -109475.4073 299.9016 -161659.3018 -109111.7037 299.5820 -101.0653 -68.7486 760514.9034 -17.0997 -17.0207 PRESSURE: 2442200 -173.208 -196.008 -27.8492 -196.009 163.176 -13.1662 -27.8495 -13.1661 -152.7 GPRESSURE: 2442200 -121.067 -133.963 92.1709 -125.338 209.267 -13.1323 -186.959 -33.3059 -179.8 PRESSAVG: 2442200 44.3614 -44.1049 0.157328 -44.1049 -56.6926 -39.1328 0.157307 -39.133 -4.86168 GPRESSAVG: 2442200 44.5444 -43.7664 -0.253465 -42.6834 -56.5623 -39.1339 0.32404 -40.3795 -4.6484 TIMING: 2442200 CPU: 7792.56, 0.00313735/step Wall: 7792.56, 0.00313735/step, 2.22909 hours remaining, 238.812500 MB of memory in use. ENERGY: 2442200 3966.0866 20599.4212 14483.4939 243.4069 -203302.2718 2463.3822 0.0000 0.0000 52045.8452 -109500.6357 299.1082 -161546.4809 -109137.4040 299.5141 -54.2443 -30.5333 762169.7153 -5.7310 -5.5554 PRESSURE: 2442400 -403.802 68.9767 -102.314 68.9774 20.8709 -3.02558 -102.314 -3.02559 242.596 GPRESSURE: 2442400 -225.452 87.5567 -105.25 5.51799 -50.0642 53.7869 -109.614 -52.7759 235.2 PRESSAVG: 2442400 27.697 -18.5747 39.5302 -18.5747 3.62307 -9.59278 39.5302 -9.59283 10.3006 GPRESSAVG: 2442400 27.3642 -18.682 38.572 -17.5512 3.16096 -8.89981 41.6889 -11.736 10.7686 TIMING: 2442400 CPU: 7793.19, 0.00316158/step Wall: 7793.19, 0.00316158/step, 2.24613 hours remaining, 238.812500 MB of memory in use. ENERGY: 2442400 3859.6084 20530.3972 14527.2827 241.6959 -203279.4264 2678.7773 0.0000 0.0000 52238.0889 -109203.5760 300.2130 -161441.6649 -108825.6455 299.6147 -46.7785 -13.4387 761944.3167 13.8735 13.7646 PRESSURE: 2442600 26.1342 -25.2466 -29.5567 -25.247 -160.516 97.8559 -29.5563 97.8556 -165.326 GPRESSURE: 2442600 78.3943 -122.34 -2.595 -75.3759 -140.336 92.0875 22.1802 91.1929 -143.863 PRESSAVG: 2442600 24.935 -27.3007 -39.9646 -27.3007 -34.9537 7.02932 -39.9646 7.02933 16.09 GPRESSAVG: 2442600 24.2196 -26.4474 -37.388 -28.1887 -34.9861 6.12959 -41.4604 8.32435 16.8762 TIMING: 2442600 CPU: 7793.83, 0.00317831/step Wall: 7793.83, 0.0031783/step, 2.25783 hours remaining, 238.812500 MB of memory in use. ENERGY: 2442600 4047.9492 20589.6662 14503.0846 250.4746 -203445.7663 2614.0757 0.0000 0.0000 52315.8655 -109124.6505 300.6600 -161440.5160 -108762.7505 300.5856 -99.9027 -68.6015 760275.8654 2.0238 2.0365 PRESSURE: 2442800 -321.476 261.516 70.6493 261.517 -374.683 -221.666 70.6491 -221.666 209.614 GPRESSURE: 2442800 -293.83 145.482 120.519 213.139 -270.945 -206.139 -0.754296 -116.59 161.898 PRESSAVG: 2442800 23.173 23.9731 21.5481 23.9731 -4.35442 -28.9287 21.5481 -28.9287 11.7553 GPRESSAVG: 2442800 23.4386 22.9348 20.4268 23.7836 -3.68052 -29.5324 22.7246 -27.55 10.7875 TIMING: 2442800 CPU: 7794.46, 0.00315387/step Wall: 7794.46, 0.00315387/step, 2.2403 hours remaining, 238.812500 MB of memory in use. ENERGY: 2442800 4037.0596 20742.0173 14476.6570 267.5293 -203219.8370 2562.7485 0.0000 0.0000 52157.9429 -108975.8823 299.7524 -161133.8252 -108605.6588 300.7219 -162.1813 -134.2924 761242.6491 10.1913 10.1818 PRESSURE: 2443000 -563.904 13.7905 389.678 13.7901 -373.989 -194.814 389.677 -194.813 -492.683 GPRESSURE: 2443000 -492.749 19.6278 260.321 45.8287 -372.577 -157.698 437.049 -94.7445 -461.554 PRESSAVG: 2443000 11.3654 -27.7873 89.9356 -27.7874 -21.46 -4.5484 89.9355 -4.54839 -7.70695 GPRESSAVG: 2443000 10.978 -27.3076 90.0661 -27.1709 -21.7893 -4.76943 89.2405 -4.59883 -6.64737 TIMING: 2443000 CPU: 7795.09, 0.00313891/step Wall: 7795.09, 0.00313891/step, 2.2295 hours remaining, 238.812500 MB of memory in use. ENERGY: 2443000 4060.8664 20529.8329 14418.1249 247.5095 -202942.5972 2400.7501 0.0000 0.0000 52365.4638 -108920.0497 300.9450 -161285.5134 -108547.4078 300.7467 -476.8586 -442.2929 763607.8414 -5.9339 -5.8195 PRESSURE: 2443200 92.6723 141.677 -23.8623 141.677 -134.072 -55.1678 -23.8623 -55.167 102.128 GPRESSURE: 2443200 107.149 172.929 -43.4933 180.926 -25.1829 -94.4765 -36.3137 -58.3283 67.4921 PRESSAVG: 2443200 -14.2945 24.2216 -3.23731 24.2216 4.37242 16.8413 -3.23728 16.8414 5.37971 GPRESSAVG: 2443200 -13.8778 24.9893 -2.84163 23.6873 4.92274 17.3376 -2.76386 17.8046 4.29449 TIMING: 2443200 CPU: 7795.71, 0.00314567/step Wall: 7795.71, 0.00314567/step, 2.23412 hours remaining, 238.812500 MB of memory in use. ENERGY: 2443200 3995.4800 20760.7830 14492.1659 240.6593 -203576.1603 2789.5774 0.0000 0.0000 52302.3569 -108995.1378 300.5824 -161297.4947 -108632.4058 300.8072 20.2427 49.8193 761281.9430 -1.5141 -1.5535 PRESSURE: 2443400 -60.3104 -142.98 72.5849 -142.979 -106.438 35.5609 72.5848 35.5605 49.7811 GPRESSURE: 2443400 1.03878 -85.6148 169.845 -69.5068 -84.8052 98.1809 -10.1579 76.3608 59.3232 PRESSAVG: 2443400 32.1367 -26.9542 -14.8673 -26.9541 -36.1377 -17.1181 -14.8672 -17.1181 -25.7285 GPRESSAVG: 2443400 32.3349 -28.2779 -15.7498 -25.4569 -37.6461 -17.9795 -15.368 -21.4942 -24.8713 TIMING: 2443400 CPU: 7796.34, 0.00315168/step Wall: 7796.34, 0.00315168/step, 2.23822 hours remaining, 238.812500 MB of memory in use. ENERGY: 2443400 4031.4302 20693.3037 14367.2430 228.5054 -202884.2717 2569.9887 0.0000 0.0000 52106.8274 -108886.9733 299.4587 -160993.8007 -108523.9352 300.2916 -38.9891 -8.1477 764126.0928 -9.9098 -10.0608 PRESSURE: 2443600 -104.748 92.9348 62.7449 92.9339 -252.777 23.0349 62.745 23.0349 -178.327 GPRESSURE: 2443600 -35.5984 132.07 86.48 147.089 -258.003 95.4051 153.407 -13.3519 -168.294 PRESSAVG: 2443600 20.2397 -32.3348 6.52689 -32.3349 3.31702 2.35876 6.5269 2.35878 7.22713 GPRESSAVG: 2443600 17.9638 -31.5032 7.07579 -33.3206 5.14027 4.42529 6.66098 3.54301 7.02887 TIMING: 2443600 CPU: 7796.97, 0.0031414/step Wall: 7796.97, 0.0031414/step, 2.23075 hours remaining, 238.812500 MB of memory in use. ENERGY: 2443600 3993.5458 20741.8675 14379.3866 259.5123 -202921.6996 2403.1904 0.0000 0.0000 52297.1216 -108847.0755 300.5523 -161144.1971 -108492.3970 300.9031 -178.6174 -153.9654 762508.2192 10.2613 10.0443 PRESSURE: 2443800 -28.7369 -69.0507 -4.76375 -69.0505 135.058 -34.8891 -4.76394 -34.8879 5.65044 GPRESSURE: 2443800 22.2147 -82.3535 -17.068 -60.52 157.185 22.5548 -32.6441 12.3432 48.102 PRESSAVG: 2443800 21.3572 22.292 49.702 22.292 -28.6844 19.8399 49.702 19.84 -9.48682 GPRESSAVG: 2443800 23.8339 21.902 48.8585 22.6088 -30.6686 18.9059 49.9278 22.1615 -10.1875 TIMING: 2443800 CPU: 7797.6, 0.00313517/step Wall: 7797.6, 0.00313517/step, 2.22614 hours remaining, 238.812500 MB of memory in use. ENERGY: 2443800 3991.7324 20579.7421 14503.0244 254.6665 -203058.6489 2423.1512 0.0000 0.0000 52567.5680 -108738.7642 302.1065 -161306.3322 -108363.7012 300.8940 37.3239 75.8338 760373.6250 -5.6047 -5.6741 PRESSURE: 2444000 234.009 -157.773 -35.9895 -157.773 437.901 78.4644 -35.9893 78.4644 158.636 GPRESSURE: 2444000 280.695 -15.5143 5.33797 -135.014 331.777 101.194 31.3674 -47.7619 265.145 PRESSAVG: 2444000 -6.00698 -2.9059 10.3182 -2.90591 36.645 42.174 10.3183 42.174 3.90755 GPRESSAVG: 2444000 -6.15111 -2.73349 9.9481 -4.38185 36.1178 43.371 12.2136 42.3869 4.51517 TIMING: 2444000 CPU: 7798.23, 0.00315894/step Wall: 7798.23, 0.00315894/step, 2.24285 hours remaining, 238.812500 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: 2444000 4045.0663 20598.8621 14394.5684 244.6119 -203157.0413 2669.1405 0.0000 0.0000 52306.5505 -108898.2415 300.6065 -161204.7920 -108533.3473 300.9864 276.8488 292.5389 760407.0896 11.5152 11.4939 PRESSURE: 2444200 -95.0776 -157.077 281.088 -157.077 153.753 -128.418 281.089 -128.419 -110.005 GPRESSURE: 2444200 55.1924 -162.931 298.282 12.6785 89.7494 -118.123 249.243 -81.5228 -116.672 PRESSAVG: 2444200 17.5675 -11.8705 64.0526 -11.8705 -12.9454 27.4437 64.0526 27.4438 -16.2458 GPRESSAVG: 2444200 16.3002 -12.8472 66.1839 -10.7385 -12.9684 25.4485 62.8231 26.7064 -15.3516 TIMING: 2444200 CPU: 7798.87, 0.00317124/step Wall: 7798.87, 0.00317124/step, 2.2514 hours remaining, 238.812500 MB of memory in use. ENERGY: 2444200 3902.1069 20601.3373 14480.3001 258.2408 -202921.3663 2325.7239 0.0000 0.0000 52352.5091 -109001.1481 300.8706 -161353.6572 -108629.9595 300.1679 -17.1099 9.4233 761015.1884 -3.8746 -4.0066 LDB: ============= START OF LOAD BALANCING ============== 7811.32 LDB: ============== END OF LOAD BALANCING =============== 7811.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7811.32 LDB: ============= START OF LOAD BALANCING ============== 7811.64 LDB: Largest compute 7034 load 0.035151 is 18.0% of average load 0.195301 LDB: Average compute 0.004376 is 2.2% of average load 0.195301 LDB: TIME 7811.64 LOAD: AVG 0.195301 MAX 0.214782 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 7811.65 LOAD: AVG 0.195301 MAX 0.214782 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: TIME 7811.65 LOAD: AVG 0.195301 MAX 0.214782 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.93 MB LDB: ============== END OF LOAD BALANCING =============== 7811.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7811.65 PRESSURE: 2444400 316.317 -115.347 -11.5044 -115.347 373.438 128.992 -11.5045 128.991 688.992 GPRESSURE: 2444400 376.249 -86.7859 -27.0697 -77.3295 342.096 93.0075 -73.5935 136.017 753.318 PRESSAVG: 2444400 55.3423 -6.91851 -7.91709 -6.91858 -39.0427 16.397 -7.91705 16.3971 10.3481 GPRESSAVG: 2444400 56.0342 -7.67468 -9.31484 -7.78316 -38.1524 17.026 -8.0347 17.1921 8.64137 TIMING: 2444400 CPU: 7799.52, 0.00325393/step Wall: 7799.52, 0.00325393/step, 2.30993 hours remaining, 241.378906 MB of memory in use. ENERGY: 2444400 3962.0182 20555.8634 14465.1050 235.3399 -203304.8131 2813.8432 0.0000 0.0000 52382.3611 -108890.2823 301.0421 -161272.6434 -108532.7335 300.8360 459.5823 490.5542 759353.3003 8.8826 8.8411 PRESSURE: 2444600 213.973 -51.1975 131.661 -51.1968 460.414 186.596 131.661 186.595 186.218 GPRESSURE: 2444600 293.16 -65.3928 236.527 -90.5927 398.438 16.596 134.255 241.76 252.151 PRESSAVG: 2444600 87.9641 -32.1599 -14.8068 -32.1599 -75.2512 23.9177 -14.8068 23.9177 34.5023 GPRESSAVG: 2444600 88.3631 -29.4388 -15.3703 -33.9932 -75.2687 25.0617 -13.836 23.214 34.4891 TIMING: 2444600 CPU: 7800.15, 0.00319073/step Wall: 7800.15, 0.00319073/step, 2.26489 hours remaining, 241.582031 MB of memory in use. ENERGY: 2444600 3955.7217 20770.6594 14475.3521 247.9824 -203287.0022 2582.8124 0.0000 0.0000 52256.8777 -108997.5964 300.3210 -161254.4742 -108642.1909 300.5258 286.8684 314.5832 759258.0475 15.7384 15.8612 PRESSURE: 2444800 9.99003 -120.819 -79.1187 -120.82 -14.8704 30.3888 -79.1181 30.3883 -6.7465 GPRESSURE: 2444800 29.4811 -117.611 -44.4097 -70.3338 -27.5389 93.3839 -61.1091 86.5765 72.0805 PRESSAVG: 2444800 5.88955 -61.253 27.6949 -61.253 -31.1146 37.4561 27.6949 37.4561 -4.31464 GPRESSAVG: 2444800 4.43252 -61.6654 29.2045 -60.2555 -30.1309 37.4198 26.5615 37.1185 -3.8243 TIMING: 2444800 CPU: 7800.79, 0.00317065/step Wall: 7800.79, 0.00317065/step, 2.25046 hours remaining, 241.582031 MB of memory in use. ENERGY: 2444800 3986.7006 20488.4161 14459.0188 240.0046 -203152.9153 2373.5194 0.0000 0.0000 52503.2454 -109102.0106 301.7369 -161605.2560 -108729.1207 300.5996 -3.8756 24.6742 761494.6803 -9.8466 -9.8409 PRESSURE: 2445000 467.077 -133.468 -262.304 -133.468 -312.946 -144.618 -262.305 -144.618 -228.596 GPRESSURE: 2445000 488.916 -171.656 -198.057 -15.2301 -289.79 27.6438 -134.534 -98.7044 -188.22 PRESSAVG: 2445000 20.5288 -16.012 -40.972 -16.012 -28.1879 -3.87179 -40.9719 -3.87175 -7.15607 GPRESSAVG: 2445000 21.4734 -16.7718 -41.4604 -14.0392 -29.6796 -5.08077 -41.258 -3.99616 -6.60034 TIMING: 2445000 CPU: 7801.42, 0.003153/step Wall: 7801.42, 0.003153/step, 2.23776 hours remaining, 241.582031 MB of memory in use. ENERGY: 2445000 4039.8019 20555.0446 14511.6067 247.4238 -203415.0449 2554.1239 0.0000 0.0000 52174.3118 -109332.7322 299.8465 -161507.0440 -108966.4171 300.1955 -24.8214 3.6353 760217.9097 -4.9384 -4.9355 PRESSURE: 2445200 105.208 -251.035 284.266 -251.035 33.7239 54.1019 284.265 54.1026 -22.0597 GPRESSURE: 2445200 199.154 -144.153 284.946 -270.739 41.6104 33.3108 217.053 27.2294 -25.6439 PRESSAVG: 2445200 38.3541 -64.8981 36.9676 -64.8981 -45.3244 -25.9507 36.9675 -25.9507 -10.0162 GPRESSAVG: 2445200 40.1684 -62.4763 37.3015 -69.8105 -44.4422 -26.8966 37.2667 -25.7646 -12.076 TIMING: 2445200 CPU: 7802.05, 0.00314476/step Wall: 7802.05, 0.00314476/step, 2.23173 hours remaining, 241.582031 MB of memory in use. ENERGY: 2445200 3987.3131 20618.3656 14499.6565 269.5666 -203554.4877 2763.2526 0.0000 0.0000 52121.6847 -109294.6487 299.5440 -161416.3333 -108932.3513 299.9972 38.9573 71.7068 761613.4545 -5.6621 -5.4499 PRESSURE: 2445400 176.906 -138.908 1.15395 -138.908 -92.6294 -151.033 1.15466 -151.034 -6.57916 GPRESSURE: 2445400 249.746 -181.241 14.3012 -136.546 -127.516 -16.9048 5.52615 -205.423 32.0939 PRESSAVG: 2445400 22.6206 -9.48475 -20.8088 -9.48479 -27.2315 -66.8626 -20.8088 -66.8627 -15.4976 GPRESSAVG: 2445400 21.8863 -11.3066 -22.2707 -8.01092 -29.1736 -65.7644 -20.7077 -68.1769 -13.1957 TIMING: 2445400 CPU: 7802.68, 0.00315952/step Wall: 7802.68, 0.00315952/step, 2.24203 hours remaining, 241.582031 MB of memory in use. ENERGY: 2445400 4064.7143 20594.1823 14453.0028 247.3515 -203223.8762 2466.2552 0.0000 0.0000 52386.8920 -109011.4781 301.0682 -161398.3701 -108649.9139 299.9390 25.8993 51.4414 761172.0113 -6.7028 -6.8277 PRESSURE: 2445600 -113.545 -21.7287 147.758 -21.7292 -298.51 44.0764 147.757 44.077 -16.5989 GPRESSURE: 2445600 -86.9373 190.071 110.413 46.6942 -228.138 -42.8218 299.704 86.0179 -14.7408 PRESSAVG: 2445600 67.7028 -26.0446 28.3782 -26.0446 -28.2665 -7.76738 28.3782 -7.76737 -14.1644 GPRESSAVG: 2445600 67.4041 -27.4428 30.1291 -23.5101 -25.8397 -8.08365 25.5118 -4.29573 -16.1173 TIMING: 2445600 CPU: 7803.31, 0.00316549/step Wall: 7803.31, 0.00316549/step, 2.24609 hours remaining, 241.582031 MB of memory in use. ENERGY: 2445600 3998.3616 20844.9490 14445.2948 257.9945 -203262.3590 2694.3224 0.0000 0.0000 52068.8888 -108952.5478 299.2406 -161021.4366 -108594.9003 300.7818 -142.8845 -109.9386 760932.4391 8.4240 8.4824 PRESSURE: 2445800 -365.309 75.0459 7.07693 75.0467 -205.377 -135.627 7.0773 -135.626 -131.281 GPRESSURE: 2445800 -319.56 59.2938 -41.2941 -15.4823 -191.814 -79.2919 47.9522 -116.301 -117.134 PRESSAVG: 2445800 -21.1728 23.5833 48.4483 23.5832 -0.553321 37.8983 48.4483 37.8983 -15.2327 GPRESSAVG: 2445800 -21.5009 27.1852 47.8658 22.7854 -1.22268 38.8416 49.7953 33.8344 -14.0518 TIMING: 2445800 CPU: 7803.94, 0.00314807/step Wall: 7803.94, 0.00314807/step, 2.23355 hours remaining, 241.582031 MB of memory in use. ENERGY: 2445800 4020.5575 20663.4547 14475.5957 249.6877 -202843.4220 2437.1234 0.0000 0.0000 52029.3161 -108967.6870 299.0132 -160997.0031 -108604.5509 300.2811 -233.9891 -209.5023 763741.4468 -12.3196 -12.2584 PRESSURE: 2446000 -87.6539 -5.25503 -121.874 -5.25468 -329.646 -152.404 -121.873 -152.403 -91.063 GPRESSURE: 2446000 63.239 -129.129 -146.727 59.5424 -342.071 -59.2117 -94.3839 -47.1954 -142.753 PRESSAVG: 2446000 71.3416 -59.649 -37.914 -59.6491 2.05071 0.335409 -37.9141 0.335399 -2.51532 GPRESSAVG: 2446000 71.2283 -61.3918 -37.828 -58.4216 1.86509 -0.786066 -38.03 1.95359 -2.7861 TIMING: 2446000 CPU: 7804.57, 0.00314348/step Wall: 7804.57, 0.00314348/step, 2.23012 hours remaining, 241.582031 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: 2446000 3976.1407 20468.0557 14453.4304 248.1512 -203298.8764 2567.8269 0.0000 0.0000 52271.2237 -109314.0479 300.4034 -161585.2715 -108949.1364 299.9737 -169.4542 -140.5281 761764.5184 23.6257 23.4358 PRESSURE: 2446200 140.487 -326.552 135.904 -326.552 0.932245 -65.1578 135.904 -65.1576 28.1194 GPRESSURE: 2446200 203.509 -303.56 109.102 -269.668 -3.78244 -51.8505 222.522 -146.863 77.0758 PRESSAVG: 2446200 62.5325 -12.5101 -31.46 -12.51 -69.2016 11.8373 -31.4599 11.8373 1.18901 GPRESSAVG: 2446200 62.7011 -11.809 -33.0623 -14.3353 -69.1374 12.9664 -30.3342 8.89322 1.10326 TIMING: 2446200 CPU: 7805.2, 0.00316211/step Wall: 7805.2, 0.00316211/step, 2.24317 hours remaining, 241.582031 MB of memory in use. ENERGY: 2446200 4016.2173 20580.5707 14454.0055 251.4780 -203218.0312 2478.9200 0.0000 0.0000 52212.8117 -109224.0279 300.0677 -161436.8396 -108863.5402 299.5550 56.5128 92.2673 761801.9824 -1.8267 -1.7777 PRESSURE: 2446400 -111.142 -355.136 44.8524 -355.138 -250.898 -77.3401 44.8523 -77.34 -529.296 GPRESSURE: 2446400 -190.654 -380.77 77.5348 -282.336 -179.918 -58.7242 -37.5771 -59.3113 -445.332 PRESSAVG: 2446400 15.7635 13.9123 -19.5596 13.9123 -11.1935 33.7729 -19.5597 33.7729 6.77588 GPRESSAVG: 2446400 15.6949 12.1247 -17.0496 14.4484 -11.5372 33.1033 -21.0897 36.0368 7.14453 TIMING: 2446400 CPU: 7805.84, 0.00317468/step Wall: 7805.84, 0.00317468/step, 2.25191 hours remaining, 241.582031 MB of memory in use. ENERGY: 2446400 3970.8875 20518.8671 14424.2274 252.8994 -202970.2636 2358.9263 0.0000 0.0000 51829.0018 -109615.4541 297.8620 -161444.4559 -109258.6133 299.5516 -297.1118 -271.9681 762194.9330 3.7820 3.7674 PRESSURE: 2446600 -29.5372 -159.414 22.2743 -159.415 -116.169 127.916 22.2743 127.915 -251.962 GPRESSURE: 2446600 -6.61099 -152.479 -20.5823 -179.714 -124.536 46.8866 -55.0187 58.7626 -160.242 PRESSAVG: 2446600 24.9689 -19.4449 -10.6411 -19.4449 2.88842 57.4762 -10.6411 57.4762 -4.60435 GPRESSAVG: 2446600 25.1663 -18.3378 -12.4174 -21.1326 2.90578 57.397 -8.65236 60.4265 -4.13636 TIMING: 2446600 CPU: 7806.47, 0.00315125/step Wall: 7806.47, 0.00315125/step, 2.23511 hours remaining, 241.582031 MB of memory in use. ENERGY: 2446600 4035.2817 20622.4183 14430.6777 250.0521 -203349.6949 2555.8025 0.0000 0.0000 51901.9561 -109553.5064 298.2813 -161455.4625 -109204.9615 299.3589 -132.5559 -97.1297 761355.7323 7.7510 7.9786 PRESSURE: 2446800 258.786 -72.3981 -90.6416 -72.3978 533.17 130.065 -90.6412 130.066 399.077 GPRESSURE: 2446800 315.946 -37.3968 -20.6962 -26.1014 607.143 150.574 -64.8943 134.51 372.189 PRESSAVG: 2446800 -41.3993 -0.779715 -0.598424 -0.779746 -5.63501 31.9237 -0.598393 31.9238 -30.7654 GPRESSAVG: 2446800 -41.6811 -3.12945 0.371716 2.76904 -5.04983 32.8797 -2.31186 30.4658 -31.1377 TIMING: 2446800 CPU: 7807.1, 0.00314626/step Wall: 7807.1, 0.00314626/step, 2.2314 hours remaining, 241.582031 MB of memory in use. ENERGY: 2446800 3973.9276 20613.8415 14445.2702 249.3878 -203574.1338 2702.2847 0.0000 0.0000 52092.5756 -109496.8464 299.3767 -161589.4220 -109144.4917 299.4952 397.0110 431.7591 760172.7927 -25.9333 -25.9562 PRESSURE: 2447000 224.919 -56.8157 -54.7625 -56.8156 155.621 205.606 -54.7632 205.606 75.7419 GPRESSURE: 2447000 171.813 -39.5315 13.3562 -28.1174 266.323 138.921 -64.1914 132.01 94.9944 PRESSAVG: 2447000 29.8862 -62.8695 -16.6648 -62.8695 -21.7152 79.4203 -16.6648 79.4203 23.4467 GPRESSAVG: 2447000 30.0573 -60.1715 -16.6305 -65.6287 -21.5745 79.6874 -18.3418 78.9312 23.007 TIMING: 2447000 CPU: 7807.73, 0.00313408/step Wall: 7807.73, 0.00313408/step, 2.22259 hours remaining, 241.582031 MB of memory in use. ENERGY: 2447000 3895.6910 20640.9732 14433.9123 268.6984 -203284.3241 2468.4566 0.0000 0.0000 52294.7621 -109281.8306 300.5387 -161576.5926 -108915.8770 300.0912 152.0938 177.7101 759895.1620 10.5393 10.4966 PRESSURE: 2447200 -515.173 -48.3816 -138.788 -48.3812 -245.36 -117.765 -138.788 -117.766 -31.675 GPRESSURE: 2447200 -491.841 -54.74 -180.335 -1.47664 -221.776 -8.99519 7.47383 -143.971 15.2473 PRESSAVG: 2447200 1.18101 -56.5798 5.96585 -56.5797 -26.9621 -13.1348 5.96588 -13.1348 -9.62684 GPRESSAVG: 2447200 0.134286 -57.1752 5.31062 -55.499 -26.9077 -13.625 6.1725 -13.239 -8.40481 TIMING: 2447200 CPU: 7808.35, 0.0031349/step Wall: 7808.35, 0.0031349/step, 2.22299 hours remaining, 241.582031 MB of memory in use. ENERGY: 2447200 4011.8589 20532.1399 14429.4506 249.9684 -202701.5897 2136.9356 0.0000 0.0000 52145.4348 -109195.8015 299.6805 -161341.2363 -108828.4347 299.7218 -264.0691 -232.7901 760941.6742 -11.8027 -11.7261 PRESSURE: 2447400 235.236 -71.2126 -266.808 -71.212 201.891 -74.2409 -266.809 -74.2408 52.6273 GPRESSURE: 2447400 333.927 -123.183 -159.258 -102.471 212.669 -41.789 -277.482 -109.285 66.1661 PRESSAVG: 2447400 13.5597 -45.578 -35.8017 -45.5781 -40.4085 -10.288 -35.8018 -10.288 4.50734 GPRESSAVG: 2447400 13.8826 -45.4771 -36.3474 -45.8057 -40.0766 -11.274 -34.2703 -10.2054 3.55857 TIMING: 2447400 CPU: 7808.98, 0.00312592/step Wall: 7808.98, 0.00312592/step, 2.21645 hours remaining, 241.582031 MB of memory in use. ENERGY: 2447400 4055.7974 20582.2540 14355.2828 238.3062 -203416.8058 2516.2413 0.0000 0.0000 52244.0256 -109424.8986 300.2471 -161668.9241 -109056.8660 299.8619 163.2516 204.2542 760426.1636 -7.4471 -7.5451 PRESSURE: 2447600 -9.53051 -51.865 -125.968 -51.8648 117.585 -207.06 -125.968 -207.06 236.832 GPRESSURE: 2447600 133.503 -200.176 -141.423 -9.95812 77.4882 -224.69 -11.265 -185.026 226.559 PRESSAVG: 2447600 11.3521 -16.0169 -7.8468 -16.0169 2.77075 6.00548 -7.8468 6.00548 24.7531 GPRESSAVG: 2447600 13.6645 -17.1565 -8.02615 -15.9728 0.572229 4.97372 -6.44919 6.66161 24.8638 TIMING: 2447600 CPU: 7809.61, 0.00314978/step Wall: 7809.61, 0.00314978/step, 2.2332 hours remaining, 241.582031 MB of memory in use. ENERGY: 2447600 3990.6129 20603.8132 14431.3325 229.6131 -203401.5707 2617.8079 0.0000 0.0000 52303.9120 -109224.4791 300.5913 -161528.3912 -108858.5581 299.8351 114.9620 145.8502 759254.6909 12.9586 13.0335 PRESSURE: 2447800 167.241 -180.777 263.587 -180.777 2.70967 -86.6824 263.587 -86.6825 298.815 GPRESSURE: 2447800 169.781 -97.3345 277.916 -180.466 126.34 -61.0436 277.105 -189.196 278.772 PRESSAVG: 2447800 36.547 -51.7737 -21.4798 -51.7738 -22.5639 -16.2304 -21.4798 -16.2305 15.9173 GPRESSAVG: 2447800 34.5927 -50.3839 -20.2665 -52.212 -20.2207 -15.8011 -23.1258 -15.9458 15.3639 TIMING: 2447800 CPU: 7810.24, 0.00315528/step Wall: 7810.24, 0.00315528/step, 2.23692 hours remaining, 241.582031 MB of memory in use. ENERGY: 2447800 3983.5801 20658.9007 14383.4225 248.6745 -203423.3483 2600.8967 0.0000 0.0000 52194.4973 -109353.3766 299.9625 -161547.8740 -108983.5062 299.6932 156.2553 191.6309 759523.3091 9.9668 9.9120 PRESSURE: 2448000 -70.8983 -93.4135 -115.065 -93.4133 54.7044 148.13 -115.067 148.129 -466.367 GPRESSURE: 2448000 -48.1357 -28.3875 -76.4794 -25.8224 91.1709 247.96 -127.213 57.1857 -437.674 PRESSAVG: 2448000 24.3144 -36.1875 -16.5749 -36.1874 -39.1409 34.2031 -16.575 34.2031 -1.16817 GPRESSAVG: 2448000 24.3724 -35.3715 -16.1884 -37.4651 -39.6706 35.4557 -18.1533 32.5373 -0.331491 TIMING: 2448000 CPU: 7810.87, 0.0031607/step Wall: 7810.87, 0.0031607/step, 2.24058 hours remaining, 241.582031 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: 2448000 4004.1002 20566.7003 14409.4294 246.8348 -203481.9073 2581.5502 0.0000 0.0000 52060.0978 -109613.1945 299.1901 -161673.2923 -109251.8708 299.6653 -160.8536 -131.5462 760249.6622 -5.3315 -5.2099 PRESSURE: 2448200 192.848 31.8563 -169.7 31.856 15.6641 -83.4861 -169.699 -83.4853 540.381 GPRESSURE: 2448200 285.471 -31.4748 -179.776 101.895 8.93512 -99.9809 -141.741 -159.877 540.963 PRESSAVG: 2448200 -7.83898 -9.30568 -31.4433 -9.30574 12.0604 28.5565 -31.4433 28.5565 11.363 GPRESSAVG: 2448200 -8.35493 -10.7524 -32.7663 -7.90756 13.306 29.0965 -29.3371 29.1931 10.0405 TIMING: 2448200 CPU: 7811.5, 0.00313936/step Wall: 7811.5, 0.00313936/step, 2.22528 hours remaining, 241.582031 MB of memory in use. ENERGY: 2448200 3986.2788 20531.4632 14421.5709 237.6269 -203272.3039 2402.5677 0.0000 0.0000 52063.7707 -109629.0258 299.2112 -161692.7964 -109257.0286 299.1746 249.6312 278.4562 762356.8007 5.1948 4.9972 LDB: ============= START OF LOAD BALANCING ============== 7823.95 LDB: ============== END OF LOAD BALANCING =============== 7823.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7823.95 LDB: ============= START OF LOAD BALANCING ============== 7824.27 LDB: Largest compute 7026 load 0.037174 is 19.0% of average load 0.195389 LDB: Average compute 0.004400 is 2.3% of average load 0.195389 LDB: TIME 7824.27 LOAD: AVG 0.195389 MAX 0.214429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 7824.27 LOAD: AVG 0.195389 MAX 0.214429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 7824.27 LOAD: AVG 0.195389 MAX 0.214429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 7824.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7824.28 PRESSURE: 2448400 278.01 89.2748 61.9323 89.2745 -153.988 -14.9191 61.9319 -14.9203 -347.065 GPRESSURE: 2448400 268.778 122.299 112.911 97.2497 -94.1921 50.0951 39.0905 -141.567 -288.889 PRESSAVG: 2448400 0.0730386 -37.1275 3.41243 -37.1275 7.53257 30.9281 3.4124 30.928 -14.0916 GPRESSAVG: 2448400 0.959406 -37.1185 4.44578 -36.8972 4.8715 28.164 2.58532 32.3218 -11.9768 TIMING: 2448400 CPU: 7812.14, 0.00321914/step Wall: 7812.14, 0.00321914/step, 2.28165 hours remaining, 240.675781 MB of memory in use. ENERGY: 2448400 4110.3632 20442.9387 14391.8357 233.4868 -203516.5945 2761.4173 0.0000 0.0000 51997.4797 -109579.0730 298.8302 -161576.5528 -109219.8306 298.9713 -74.3479 -38.1013 761433.6524 -2.1620 -2.0486 PRESSURE: 2448600 -196.315 21.1235 -204.325 21.1237 121.046 -9.03019 -204.324 -9.02977 186.928 GPRESSURE: 2448600 -178.17 63.7557 -288.346 -3.54379 182.193 24.7072 -142.082 11.0985 194.979 PRESSAVG: 2448600 34.5469 -12.7928 33.2555 -12.7928 -37.2657 -42.7283 33.2555 -42.7283 2.6088 GPRESSAVG: 2448600 34.5089 -13.4977 31.5027 -13.459 -36.2859 -39.5961 35.7154 -43.1265 1.23345 TIMING: 2448600 CPU: 7812.77, 0.00315617/step Wall: 7812.77, 0.00315617/step, 2.23685 hours remaining, 240.675781 MB of memory in use. ENERGY: 2448600 4021.7193 20400.4065 14441.0482 254.6723 -203491.2320 2532.1267 0.0000 0.0000 52148.8681 -109692.3908 299.7003 -161841.2589 -109325.3656 298.8692 37.2197 66.3340 760352.9095 -0.0367 -0.1812 PRESSURE: 2448800 211.548 93.2688 -111.391 93.2694 121.431 46.3575 -111.392 46.3569 161.446 GPRESSURE: 2448800 257.139 68.7442 -19.0792 171.095 168.48 34.4585 -203.356 -9.77025 165.08 PRESSAVG: 2448800 48.7564 -8.12714 -5.57434 -8.12718 -31.2638 -3.89367 -5.57437 -3.89373 -6.28826 GPRESSAVG: 2448800 48.2056 -6.42713 -3.89046 -7.84703 -30.2343 -5.65645 -6.42264 -6.19427 -6.77573 TIMING: 2448800 CPU: 7813.4, 0.00315498/step Wall: 7813.4, 0.00315498/step, 2.23583 hours remaining, 240.675781 MB of memory in use. ENERGY: 2448800 3977.2316 20613.8928 14464.9091 245.0166 -203375.5009 2577.5444 0.0000 0.0000 51935.6545 -109561.2520 298.4749 -161496.9065 -109194.2601 299.0394 164.8083 196.8996 760796.8367 3.7348 3.7319 PRESSURE: 2449000 -407.919 -147.59 62.6227 -147.591 304.065 14.9024 62.6234 14.903 -567.352 GPRESSURE: 2449000 -425.131 -161.025 85.4491 -153.49 205.231 82.3908 130.025 -68.2515 -375.995 PRESSAVG: 2449000 26.9934 12.464 -12.7685 12.464 34.2558 16.2316 -12.7685 16.2315 2.74282 GPRESSAVG: 2449000 26.3639 12.9339 -13.3959 11.7083 33.0637 17.1867 -15.2481 16.3735 3.91503 TIMING: 2449000 CPU: 7814.04, 0.00315252/step Wall: 7814.04, 0.00315252/step, 2.23391 hours remaining, 240.675781 MB of memory in use. ENERGY: 2449000 4022.4669 20329.8664 14467.4614 247.9162 -203020.8013 2378.5211 0.0000 0.0000 51886.0083 -109688.5609 298.1896 -161574.5692 -109330.4118 299.0744 -223.7350 -198.6318 761035.8879 21.3307 21.1142 PRESSURE: 2449200 -34.4763 -106.146 -240.138 -106.147 107.38 -155.722 -240.138 -155.722 238.841 GPRESSURE: 2449200 4.35848 -141.749 -236.577 -163.447 228.024 -236.316 -223.795 71.4263 186.499 PRESSAVG: 2449200 31.8141 4.73863 34.4189 4.73864 -40.1399 39.8452 34.4189 39.8452 -5.24117 GPRESSAVG: 2449200 32.9406 3.36088 34.7981 5.91358 -39.9376 38.0309 35.5624 41.9029 -6.69765 TIMING: 2449200 CPU: 7814.66, 0.00313633/step Wall: 7814.66, 0.00313633/step, 2.22227 hours remaining, 240.675781 MB of memory in use. ENERGY: 2449200 3971.2753 20354.0542 14488.0892 248.3782 -203308.4905 2593.9480 0.0000 0.0000 52144.1481 -109508.5974 299.6731 -161652.7455 -109146.5033 299.3891 103.9151 139.6273 759641.3846 -4.5223 -4.5649 PRESSURE: 2449400 -42.7344 98.3143 162.528 98.3142 152.888 45.8889 162.528 45.8879 92.5853 GPRESSURE: 2449400 -6.5756 148.534 167.735 139.267 191.45 18.4918 114.826 90.0106 114.475 PRESSAVG: 2449400 20.324 37.231 13.4836 37.231 9.15025 -7.81333 13.4836 -7.81344 -13.5997 GPRESSAVG: 2449400 20.4446 37.6647 14.7868 36.9106 9.10146 -5.13717 12.9787 -7.1865 -13.1775 TIMING: 2449400 CPU: 7815.29, 0.00312882/step Wall: 7815.29, 0.00312882/step, 2.21677 hours remaining, 240.675781 MB of memory in use. ENERGY: 2449400 3967.7884 20516.5471 14434.1204 265.2442 -203384.4741 2450.3430 0.0000 0.0000 52283.7326 -109466.6985 300.4753 -161750.4310 -109107.5458 299.4734 67.5797 99.7831 760300.4934 5.2915 5.4562 PRESSURE: 2449600 -150.252 -3.10074 103.574 -3.10071 61.4901 13.5381 103.575 13.538 -590.165 GPRESSURE: 2449600 -60.9866 -75.7779 106.139 -17.5385 58.1952 81.7156 99.0923 -145.366 -578.268 PRESSAVG: 2449600 81.7404 18.9905 9.04056 18.9906 -82.4951 -6.62903 9.04059 -6.62903 -9.41883 GPRESSAVG: 2449600 82.3109 19.0282 7.91165 21.1655 -82.9622 -7.64373 8.2091 -8.77454 -9.91454 TIMING: 2449600 CPU: 7815.92, 0.00313885/step Wall: 7815.92, 0.00313885/step, 2.2237 hours remaining, 240.675781 MB of memory in use. ENERGY: 2449600 3986.0419 20578.7328 14424.1159 250.4884 -202942.1375 2316.4649 0.0000 0.0000 52065.5638 -109320.7297 299.2215 -161386.2935 -108965.4027 299.8056 -226.3089 -193.6863 762143.3837 -3.3912 -3.5219 PRESSURE: 2449800 205.256 -145.115 -46.9725 -145.114 300.063 212.252 -46.9726 212.251 459.077 GPRESSURE: 2449800 220.385 -221.069 14.268 -129.993 311.282 225.572 6.21178 249.966 521.394 PRESSAVG: 2449800 26.1508 -22.6843 13.5781 -22.6843 -91.9173 6.14575 13.5781 6.14579 21.8672 GPRESSAVG: 2449800 26.2021 -20.347 13.8376 -27.1426 -92.284 5.94597 15.1342 7.34897 21.9956 TIMING: 2449800 CPU: 7816.54, 0.00313016/step Wall: 7816.54, 0.00313016/step, 2.21737 hours remaining, 240.675781 MB of memory in use. ENERGY: 2449800 3891.6113 20585.0506 14387.8378 239.8592 -203366.8580 2672.2016 0.0000 0.0000 52058.5511 -109531.7463 299.1812 -161590.2974 -109167.8746 299.2677 321.4652 351.0202 760854.9504 -14.6331 -14.6954 PRESSURE: 2450000 43.6551 9.74705 82.5515 9.74643 -148.35 99.5142 82.5515 99.5143 -251.523 GPRESSURE: 2450000 96.9812 -35.4732 63.826 -2.10586 -64.4961 60.5076 24.1252 96.9207 -289.714 PRESSAVG: 2450000 3.03738 16.9594 22.8403 16.9594 -22.5362 48.8893 22.8402 48.8892 -0.186724 GPRESSAVG: 2450000 0.580559 14.2812 20.8328 18.0409 -21.4687 49.2702 22.1985 48.8436 1.14448 TIMING: 2450000 CPU: 7817.17, 0.00313211/step Wall: 7817.17, 0.00313211/step, 2.21858 hours remaining, 240.675781 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: 2450000 4072.8423 20424.9472 14366.7635 270.9944 -203229.5188 2584.4301 0.0000 0.0000 52123.4052 -109386.1358 299.5539 -161509.5411 -109020.6515 299.3870 -118.7395 -85.7431 760077.5405 -6.5619 -6.5812 PRESSURE: 2450200 219.788 -316.54 82.1148 -316.541 339.27 -78.902 82.113 -78.9019 -39.8182 GPRESSURE: 2450200 288.297 -239.263 104.221 -241.944 342.241 -55.6293 231.553 -131.53 0.333563 PRESSAVG: 2450200 51.3361 13.3955 -39.7139 13.3955 -38.4676 -16.088 -39.7139 -16.0879 9.98389 GPRESSAVG: 2450200 53.2374 15.6669 -39.8525 12.5212 -39.4883 -16.3771 -39.1258 -17.4975 8.81108 TIMING: 2450200 CPU: 7817.8, 0.0031407/step Wall: 7817.8, 0.0031407/step, 2.22449 hours remaining, 240.675781 MB of memory in use. ENERGY: 2450200 3994.6682 20529.5642 14397.2048 236.8071 -203215.2434 2691.1500 0.0000 0.0000 51882.7670 -109483.0821 298.1710 -161365.8491 -109126.5855 299.3607 173.0801 210.2904 762052.0454 7.6175 7.5201 PRESSURE: 2450400 -189.711 -10.9452 -49.2378 -10.9445 -86.2446 42.1974 -49.2368 42.1998 -97.6269 GPRESSURE: 2450400 -219.404 -50.3165 -9.15392 12.2856 38.4211 -5.04149 -50.9356 -47.9692 -117.063 PRESSAVG: 2450400 35.9351 -2.1 -4.0076 -2.09997 -15.6952 14.8039 -4.00761 14.8039 3.03386 GPRESSAVG: 2450400 34.8938 -4.7492 -2.94732 -0.642783 -15.2816 15.8061 -4.42457 14.4149 3.61737 TIMING: 2450400 CPU: 7818.43, 0.00316024/step Wall: 7818.43, 0.00316024/step, 2.23815 hours remaining, 240.675781 MB of memory in use. ENERGY: 2450400 4084.7213 20640.1261 14397.0785 229.7288 -203280.2381 2589.4442 0.0000 0.0000 52195.5060 -109143.6332 299.9683 -161339.1392 -108782.6442 299.3103 -124.5274 -99.3489 762041.6340 7.7579 7.7432 PRESSURE: 2450600 0.963093 117.698 110.739 117.697 11.2408 -3.96695 110.739 -3.96773 133.896 GPRESSURE: 2450600 95.7351 132.983 18.4698 50.2032 -0.918708 6.60218 141.539 24.2798 120.548 PRESSAVG: 2450600 -23.1847 -13.8886 -5.99693 -13.8885 12.6407 -33.3405 -5.99691 -33.3405 11.5913 GPRESSAVG: 2450600 -21.6179 -9.42718 -5.9634 -16.6448 12.0632 -35.5591 -7.16597 -31.236 10.6567 TIMING: 2450600 CPU: 7819.06, 0.00315524/step Wall: 7819.06, 0.00315524/step, 2.23443 hours remaining, 240.675781 MB of memory in use. ENERGY: 2450600 3995.2606 20681.6927 14455.8002 249.6577 -203062.3412 2380.3744 0.0000 0.0000 52053.0910 -109246.4646 299.1498 -161299.5556 -108879.0196 299.7281 48.6999 71.7880 762387.2392 0.3491 0.3674 PRESSURE: 2450800 -286.096 70.4793 259.989 70.4795 -252.141 60.9191 259.988 60.9192 -310.812 GPRESSURE: 2450800 -296.245 64.4306 233.118 71.3148 -175.539 135.082 202.89 -9.18604 -303.657 PRESSAVG: 2450800 15.0747 8.54893 34.5931 8.54903 19.5451 -26.8819 34.5931 -26.8819 -6.63884 GPRESSAVG: 2450800 11.9334 5.12181 33.6623 9.88312 21.4076 -25.8752 34.9485 -29.477 -5.91886 TIMING: 2450800 CPU: 7819.69, 0.00313681/step Wall: 7819.69, 0.00313681/step, 2.22121 hours remaining, 240.675781 MB of memory in use. ENERGY: 2450800 4018.6479 20628.9455 14433.1870 241.6210 -203426.8515 2702.8766 0.0000 0.0000 52359.7504 -109041.8231 300.9122 -161401.5735 -108675.4931 300.3045 -283.0166 -258.4800 763483.6577 9.3270 9.1407 PRESSURE: 2451000 143.589 62.0397 11.7045 62.0394 -35.7335 -339.604 11.7043 -339.604 417.533 GPRESSURE: 2451000 176.387 64.935 85.401 145.443 6.46243 -309.454 -24.186 -318.485 438.402 PRESSAVG: 2451000 24.5714 -24.7891 -3.75625 -24.7891 -59.4094 -11.8507 -3.75619 -11.8507 -12.8187 GPRESSAVG: 2451000 26.0897 -25.35 -1.72092 -23.6432 -59.1072 -12.2768 -4.94548 -9.69086 -13.806 TIMING: 2451000 CPU: 7820.32, 0.0031587/step Wall: 7820.32, 0.0031587/step, 2.23654 hours remaining, 240.675781 MB of memory in use. ENERGY: 2451000 3983.1576 20346.2127 14404.1001 226.2387 -203187.5584 2665.5278 0.0000 0.0000 52480.1712 -109082.1504 301.6043 -161562.3216 -108711.9610 300.0138 175.1296 207.0837 761473.0104 -15.8855 -15.6079 PRESSURE: 2451200 175.78 37.3 -183.741 37.3005 60.4025 -165.507 -183.74 -165.506 -120.729 GPRESSURE: 2451200 255.556 64.7388 -204.445 -128.157 45.9369 -221.812 -67.2996 -151.957 -112.644 PRESSAVG: 2451200 46.6954 22.5555 -15.3945 22.5556 -6.97316 -0.95688 -15.3945 -0.956934 25.273 GPRESSAVG: 2451200 46.9723 24.1792 -18.5406 22.438 -7.47809 -0.402986 -13.7075 -2.35157 25.4885 TIMING: 2451200 CPU: 7820.95, 0.00316692/step Wall: 7820.95, 0.00316692/step, 2.24218 hours remaining, 240.675781 MB of memory in use. ENERGY: 2451200 3987.0256 20450.2921 14479.8469 269.9268 -202883.2618 2475.5977 0.0000 0.0000 52320.0713 -108900.5013 300.6842 -161220.5726 -108529.9866 300.4470 38.4844 62.9497 761185.5170 21.6651 21.6609 PRESSURE: 2451400 135.802 108.858 -90.8497 108.859 -131.282 200.965 -90.8493 200.966 -12.6526 GPRESSURE: 2451400 155.009 112.575 -91.6746 59.2764 -73.1408 204.918 -118.768 224.13 -1.15982 PRESSAVG: 2451400 36.4314 20.9648 12.2705 20.9648 -18.0333 5.44115 12.2706 5.44112 23.1225 GPRESSAVG: 2451400 37.5306 22.2004 12.9498 20.1418 -18.8413 5.98224 11.7361 6.16896 22.4054 TIMING: 2451400 CPU: 7821.58, 0.00315899/step Wall: 7821.58, 0.00315898/step, 2.23639 hours remaining, 240.675781 MB of memory in use. ENERGY: 2451400 3979.5699 20394.9426 14527.0640 260.9868 -203478.0200 2861.4729 0.0000 0.0000 52482.3447 -108971.6391 301.6168 -161453.9839 -108606.7695 300.6133 -2.7110 26.9030 762842.6848 13.8402 13.6982 PRESSURE: 2451600 196.891 125.375 -219.789 125.375 -61.994 -138.855 -219.789 -138.855 -173.551 GPRESSURE: 2451600 76.1562 91.8688 -111.531 43.2856 111.735 -111.009 -274.644 -179.976 -137.679 PRESSAVG: 2451600 24.211 24.1811 5.57384 24.1811 -40.3561 -14.6807 5.57378 -14.6808 -21.5436 GPRESSAVG: 2451600 22.6253 21.9288 8.28912 25.5579 -39.6904 -14.0001 3.57597 -14.9417 -21.0249 TIMING: 2451600 CPU: 7822.22, 0.00316651/step Wall: 7822.22, 0.00316651/step, 2.24154 hours remaining, 240.675781 MB of memory in use. ENERGY: 2451600 4076.0003 20491.0784 14419.3394 252.5137 -202945.3175 2491.4608 0.0000 0.0000 52112.7150 -109102.2099 299.4925 -161214.9248 -108743.8701 299.9235 -12.8846 16.7372 762796.1814 -12.5629 -12.6967 PRESSURE: 2451800 98.1093 -24.3121 -15.4829 -24.3126 154.363 -14.5484 -15.4839 -14.5483 2.12581 GPRESSURE: 2451800 65.0382 -90.1342 -94.3518 -126.799 194.097 13.1846 -1.22793 -0.252988 76.4554 PRESSAVG: 2451800 62.0534 12.5439 24.1637 12.5439 -52.562 -28.3624 24.1636 -28.3623 10.8192 GPRESSAVG: 2451800 63.6603 12.6104 20.9839 11.2086 -53.367 -29.6238 26.5096 -29.1792 10.0616 TIMING: 2451800 CPU: 7822.85, 0.00315325/step Wall: 7822.85, 0.00315325/step, 2.23197 hours remaining, 240.675781 MB of memory in use. ENERGY: 2451800 4024.7794 20628.1899 14475.9508 253.9711 -203308.9972 2696.8294 0.0000 0.0000 52050.2655 -109179.0110 299.1336 -161229.2765 -108822.8700 299.7182 84.8659 111.8636 761423.2898 6.7702 6.7850 PRESSURE: 2452000 -46.6032 -164.986 -67.1485 -164.986 -183.639 86.1297 -67.1481 86.1292 -123.239 GPRESSURE: 2452000 40.9304 -40.5415 -83.2736 -330.577 -196.727 90.7336 -21.8913 -46.0311 -115.356 PRESSAVG: 2452000 50.4441 -5.44293 -54.0295 -5.44296 -64.4297 -61.806 -54.0296 -61.8059 -8.46215 GPRESSAVG: 2452000 50.0059 -6.1 -52.7364 -5.19918 -65.2721 -62.3485 -54.0889 -60.8626 -6.8667 TIMING: 2452000 CPU: 7823.48, 0.00314167/step Wall: 7823.48, 0.00314167/step, 2.2236 hours remaining, 240.675781 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: 2452000 4036.9733 20439.9880 14441.6213 267.5404 -202860.4896 2402.1224 0.0000 0.0000 52079.9919 -109192.2523 299.3044 -161272.2442 -108828.3780 299.8593 -117.8268 -90.3841 761168.8160 -7.4826 -7.3776 PRESSURE: 2452200 -60.1218 268.664 102.811 268.664 -574.642 -157.644 102.811 -157.645 5.79083 GPRESSURE: 2452200 -115.616 180.304 65.853 239.527 -443.722 -129.059 40.8973 -107.638 18.0925 PRESSAVG: 2452200 -13.9672 54.484 -20.2101 54.484 -11.4479 -29.0311 -20.2101 -29.031 6.59016 GPRESSAVG: 2452200 -15.844 56.8936 -19.0482 54.4307 -8.83926 -27.1611 -19.3965 -30.6299 6.13353 TIMING: 2452200 CPU: 7824.11, 0.00314396/step Wall: 7824.11, 0.00314396/step, 2.22505 hours remaining, 240.675781 MB of memory in use. ENERGY: 2452200 3996.8883 20448.1370 14479.6300 246.7669 -202949.3065 2431.3962 0.0000 0.0000 52368.8129 -108977.6752 300.9643 -161346.4882 -108608.5177 300.3613 -209.6577 -180.4152 762582.4536 -6.2750 -6.1832 LDB: ============= START OF LOAD BALANCING ============== 7836.56 LDB: ============== END OF LOAD BALANCING =============== 7836.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7836.56 LDB: ============= START OF LOAD BALANCING ============== 7836.88 LDB: Largest compute 7072 load 0.033128 is 17.0% of average load 0.195267 LDB: Average compute 0.004363 is 2.2% of average load 0.195267 LDB: TIME 7836.88 LOAD: AVG 0.195267 MAX 0.214792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.188 MB LDB: TIME 7836.88 LOAD: AVG 0.195267 MAX 0.214792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: TIME 7836.88 LOAD: AVG 0.195267 MAX 0.214792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: ============== END OF LOAD BALANCING =============== 7836.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7836.89 PRESSURE: 2452400 21.0814 40.8967 177.26 40.8972 -163.099 -141.39 177.259 -141.39 -118.319 GPRESSURE: 2452400 -8.50888 115.84 162.804 31.0135 -97.9128 -153.641 184.141 -239.356 -79.671 PRESSAVG: 2452400 55.1328 16.2711 4.17195 16.2712 -35.634 -52.8203 4.17196 -52.8205 15.0069 GPRESSAVG: 2452400 55.5823 15.749 3.76806 17.2171 -36.3859 -53.3369 1.10733 -51.1746 14.7721 TIMING: 2452400 CPU: 7824.75, 0.0032403/step Wall: 7824.75, 0.0032403/step, 2.29305 hours remaining, 239.324219 MB of memory in use. ENERGY: 2452400 4066.9858 20589.2433 14383.1795 242.9929 -202985.6537 2237.3766 0.0000 0.0000 52334.7579 -109131.1176 300.7686 -161465.8755 -108772.0420 300.3173 -86.7790 -62.0309 762833.7855 11.5019 11.3228 PRESSURE: 2452600 -558.479 -107.282 252.245 -107.282 -437.761 -116.42 252.244 -116.42 145.655 GPRESSURE: 2452600 -389.463 -108.63 147.973 -42.2018 -504.704 -150.651 259.647 -90.6907 143.258 PRESSAVG: 2452600 40.1856 23.538 43.1392 23.538 -34.8427 -29.572 43.1392 -29.5719 6.18088 GPRESSAVG: 2452600 41.6511 22.1534 43.4185 23.9188 -35.2281 -31.9594 42.9216 -27.768 5.9011 TIMING: 2452600 CPU: 7825.39, 0.00316236/step Wall: 7825.39, 0.00316236/step, 2.23772 hours remaining, 239.324219 MB of memory in use. ENERGY: 2452600 3965.2462 20464.6094 14540.8849 242.0605 -202879.6252 2246.2444 0.0000 0.0000 52161.2725 -109259.3072 299.7716 -161420.5797 -108901.7297 299.5132 -283.5283 -250.3030 764660.6740 3.8412 4.1081 PRESSURE: 2452800 -89.0446 -165.315 75.5816 -165.315 102.828 109.593 75.5825 109.593 -321.322 GPRESSURE: 2452800 -148.783 -105.833 15.5305 -163.419 149.346 255.009 228.397 52.2655 -214.232 PRESSAVG: 2452800 -14.7778 -2.5127 -4.95619 -2.51267 12.7203 -1.53268 -4.95625 -1.53266 15.9084 GPRESSAVG: 2452800 -15.8269 -1.56245 -5.14014 -2.51917 12.8387 0.966442 -3.23071 -2.74469 17.4007 TIMING: 2452800 CPU: 7826.02, 0.00316227/step Wall: 7826.02, 0.00316227/step, 2.23748 hours remaining, 239.324219 MB of memory in use. ENERGY: 2452800 3998.8423 20530.8747 14478.8152 236.3235 -203188.4004 2475.4552 0.0000 0.0000 51912.3032 -109555.7861 298.3407 -161468.0894 -109191.5443 299.4762 -102.5127 -71.2227 762824.3855 4.6170 4.8041 PRESSURE: 2453000 67.8997 -25.2881 8.99433 -25.2877 36.8739 116.59 8.99465 116.591 267.566 GPRESSURE: 2453000 101.719 77.2483 -8.82867 -58.2243 108.663 163.799 -76.2358 15.4311 246.288 PRESSAVG: 2453000 -23.7395 -16.771 7.22878 -16.771 13.1166 11.5589 7.2288 11.5589 21.4216 GPRESSAVG: 2453000 -24.501 -14.338 6.54106 -18.7118 13.1941 10.5296 6.52014 11.4923 21.6914 TIMING: 2453000 CPU: 7826.65, 0.00315429/step Wall: 7826.65, 0.00315429/step, 2.23166 hours remaining, 239.324219 MB of memory in use. ENERGY: 2453000 3947.1516 20449.6637 14512.7072 234.5443 -203475.3424 2688.0666 0.0000 0.0000 52031.6367 -109611.5723 299.0265 -161643.2091 -109246.2486 299.1401 124.1133 152.2231 762552.5844 3.5996 3.4615 PRESSURE: 2453200 -52.5661 -97.2755 -128.422 -97.2758 107.839 -376.446 -128.422 -376.445 127.823 GPRESSURE: 2453200 -43.8532 -75.3635 -186.318 -175.829 149.715 -290.102 33.2781 -318.241 146.386 PRESSAVG: 2453200 -32.8981 -6.44451 -4.90204 -6.44453 68.0832 -53.9723 -4.90201 -53.9723 -7.44216 GPRESSAVG: 2453200 -32.629 -8.4499 -5.38459 -3.91933 68.3776 -54.675 -4.36648 -52.6704 -7.87136 TIMING: 2453200 CPU: 7827.28, 0.00315898/step Wall: 7827.28, 0.00315898/step, 2.23481 hours remaining, 239.324219 MB of memory in use. ENERGY: 2453200 3947.7376 20469.2017 14455.7141 243.4251 -203677.1908 2687.3635 0.0000 0.0000 52419.5552 -109454.1935 301.2559 -161873.7487 -109084.0197 299.2537 61.0320 84.0829 760172.0963 9.2476 9.2924 PRESSURE: 2453400 -182.157 239.834 -67.1052 239.834 -86.1728 131.111 -67.1058 131.11 -251.937 GPRESSURE: 2453400 -101.363 187.194 -148.512 153.279 -117.136 53.8027 -98.4648 38.2681 -211.721 PRESSAVG: 2453400 -31.1575 4.12801 28.0166 4.12798 67.2874 7.5601 28.0166 7.56015 10.601 GPRESSAVG: 2453400 -30.3275 2.58897 29.8638 2.96878 66.5768 8.34818 25.7972 5.5262 9.92866 TIMING: 2453400 CPU: 7827.91, 0.00315095/step Wall: 7827.91, 0.00315095/step, 2.22895 hours remaining, 239.324219 MB of memory in use. ENERGY: 2453400 4049.0321 20458.9934 14476.6029 270.1533 -203283.1333 2641.8251 0.0000 0.0000 51932.9681 -109453.5583 298.4595 -161386.5264 -109089.7674 299.5674 -173.4221 -143.4066 762088.4308 15.5769 15.3927 PRESSURE: 2453600 -128.085 -200.167 -139.669 -200.168 197.668 -86.7654 -139.669 -86.7657 194.129 GPRESSURE: 2453600 -33.6323 -32.5209 -189.226 -180.071 194.058 -20.2402 -172.621 -53.165 195.355 PRESSAVG: 2453600 13.3866 -0.360694 51.1765 -0.360697 -13.9651 -6.12218 51.1765 -6.12219 -1.61789 GPRESSAVG: 2453600 13.0222 0.242245 50.7008 -1.29162 -13.2366 -5.53298 53.566 -6.31425 -2.5449 TIMING: 2453600 CPU: 7828.55, 0.00318949/step Wall: 7828.55, 0.00318949/step, 2.25603 hours remaining, 239.324219 MB of memory in use. ENERGY: 2453600 3954.9411 20394.4365 14515.9863 262.0500 -203220.9703 2644.7087 0.0000 0.0000 51883.8747 -109564.9730 298.1773 -161448.8477 -109197.5907 298.9212 87.9040 118.5935 762471.2010 -0.7321 -0.9198 PRESSURE: 2453800 -72.5026 24.2742 61.7685 24.2747 22.2495 134.294 61.7688 134.294 -3.45241 GPRESSURE: 2453800 -24.7018 -30.3454 47.5958 107.443 37.568 85.7697 41.793 12.5682 22.3627 PRESSAVG: 2453800 62.1837 11.5113 49.0434 11.5112 -77.2143 39.7947 49.0434 39.7947 -5.62763 GPRESSAVG: 2453800 62.2675 12.1335 48.3922 11.4756 -77.9054 38.8042 48.2993 41.5496 -5.08772 TIMING: 2453800 CPU: 7829.18, 0.00316007/step Wall: 7829.18, 0.00316007/step, 2.23505 hours remaining, 239.324219 MB of memory in use. ENERGY: 2453800 3978.8730 20432.9897 14504.8568 248.4920 -203429.8293 2453.0042 0.0000 0.0000 52087.1335 -109724.4802 299.3455 -161811.6137 -109365.0044 298.7949 -17.9018 11.7430 760267.3431 -6.8861 -6.9085 PRESSURE: 2454000 135.618 36.4963 -94.5217 36.4968 -203.683 323.052 -94.5218 323.051 17.7333 GPRESSURE: 2454000 84.973 -49.2197 -155.542 -1.33517 -174.769 289.871 -274.34 343.719 135.159 PRESSAVG: 2454000 64.0942 6.21362 10.3372 6.21365 -6.74855 4.52692 10.3371 4.52697 21.9748 GPRESSAVG: 2454000 63.4175 5.35464 10.7877 6.587 -6.55559 7.82037 9.04604 3.3844 22.3843 TIMING: 2454000 CPU: 7829.81, 0.0031519/step Wall: 7829.81, 0.0031519/step, 2.2291 hours remaining, 239.324219 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: 2454000 4038.3012 20411.3661 14508.5380 228.1811 -203476.4069 2498.1486 0.0000 0.0000 51951.4432 -109840.4287 298.5657 -161791.8719 -109470.5393 298.4314 -16.7774 15.1210 761669.5041 26.4401 26.4154 PRESSURE: 2454200 75.5543 -113.787 -89.3927 -113.788 72.1641 -115.318 -89.3931 -115.318 428.792 GPRESSURE: 2454200 137.016 -222.954 -80.8918 17.1795 114.419 -96.879 -194.608 -152.836 395.531 PRESSAVG: 2454200 -38.7246 -14.5804 13.316 -14.5803 44.3626 4.05063 13.316 4.05062 -1.79266 GPRESSAVG: 2454200 -37.231 -16.4165 14.3543 -12.997 43.1934 1.08059 13.4161 4.04106 -2.23376 TIMING: 2454200 CPU: 7830.45, 0.00318632/step Wall: 7830.45, 0.00318632/step, 2.25326 hours remaining, 239.324219 MB of memory in use. ENERGY: 2454200 3932.9184 20368.9189 14566.5961 245.0404 -203744.7804 2710.4841 0.0000 0.0000 51896.4186 -110024.4038 298.2494 -161920.8225 -109665.4421 298.2215 192.1702 215.6553 762550.3214 1.2818 1.2429 PRESSURE: 2454400 -233.297 135.169 -9.88126 135.17 -523.518 -121.619 -9.88208 -121.618 83.2362 GPRESSURE: 2454400 -211.861 128.3 0.93334 252.336 -420.942 -79.2847 18.5361 -125.201 54.7719 PRESSAVG: 2454400 -13.9887 -8.97209 -11.9934 -8.97205 -15.7029 -16.548 -11.9933 -16.548 20.008 GPRESSAVG: 2454400 -15.0951 -7.20064 -12.0037 -10.4158 -14.0629 -16.4731 -11.4791 -14.2476 19.5727 TIMING: 2454400 CPU: 7831.09, 0.00318581/step Wall: 7831.09, 0.00318581/step, 2.25272 hours remaining, 239.324219 MB of memory in use. ENERGY: 2454400 4045.4700 20491.3068 14492.4722 250.5538 -203519.4194 2481.5578 0.0000 0.0000 51803.2671 -109954.7918 297.7141 -161758.0588 -109596.2542 298.0535 -224.5265 -192.6769 761837.5705 -3.2279 -3.1951 PRESSURE: 2454600 126.51 -11.5743 129.296 -11.5733 111.749 -12.2265 129.297 -12.2259 -103.536 GPRESSURE: 2454600 96.3667 230.497 113.588 -25.8252 186.104 -14.3938 124.85 7.88931 -70.3334 PRESSAVG: 2454600 24.8516 31.8127 -13.5291 31.8127 -9.23765 42.8964 -13.5291 42.8965 1.11377 GPRESSAVG: 2454600 25.033 32.6377 -14.525 31.5737 -9.14297 43.2319 -12.3871 42.422 1.04273 TIMING: 2454600 CPU: 7831.72, 0.00317016/step Wall: 7831.72, 0.00317016/step, 2.24148 hours remaining, 239.324219 MB of memory in use. ENERGY: 2454600 3960.3451 20583.5060 14502.6054 237.4307 -203573.9593 2743.2430 0.0000 0.0000 51736.2858 -109810.5432 297.3291 -161546.8290 -109444.5465 297.9286 44.9074 70.7124 762300.7916 5.5759 5.6443 PRESSURE: 2454800 -255.588 57.1804 210.904 57.1805 -111.007 14.3157 210.904 14.3163 93.7035 GPRESSURE: 2454800 -214.44 47.3985 202.894 71.3495 -76.5392 54.6928 224.768 90.1003 97.0972 PRESSAVG: 2454800 52.9768 9.44589 -3.44868 9.44595 -66.0535 -12.0294 -3.44865 -12.0295 -4.41514 GPRESSAVG: 2454800 53.9295 11.843 -2.63246 10.0983 -67.0838 -11.7008 -7.13954 -13.1635 -4.37572 TIMING: 2454800 CPU: 7832.35, 0.00314419/step Wall: 7832.35, 0.00314419/step, 2.22294 hours remaining, 239.324219 MB of memory in use. ENERGY: 2454800 3991.2375 20502.7681 14506.4341 225.2817 -203316.3451 2518.1320 0.0000 0.0000 51913.0154 -109659.4763 298.3448 -161572.4917 -109307.9611 298.8085 -90.9639 -64.6275 762055.1827 -5.8306 -5.8433 PRESSURE: 2455000 -109.266 -56.5108 161.01 -56.5116 -15.8518 152.257 161.011 152.257 3.38491 GPRESSURE: 2455000 -41.6421 -100.367 175.879 -154.062 9.41456 56.4444 190.14 123.614 -17.9925 PRESSAVG: 2455000 -5.04062 -0.800225 -26.6188 -0.800166 20.8413 33.6258 -26.6188 33.6257 5.32537 GPRESSAVG: 2455000 -5.73998 -2.2094 -25.0828 -2.34638 20.9155 32.2671 -26.007 34.7299 5.69876 TIMING: 2455000 CPU: 7832.98, 0.00314618/step Wall: 7832.98, 0.00314618/step, 2.22417 hours remaining, 239.324219 MB of memory in use. ENERGY: 2455000 3976.3236 20359.4567 14589.3672 243.3072 -203638.3227 2518.2912 0.0000 0.0000 52145.0964 -109806.4804 299.6786 -161951.5768 -109437.3148 298.3526 -40.5776 -16.7400 761599.4627 7.0420 6.9581 PRESSURE: 2455200 121.338 -60.056 -133.303 -60.0558 13.7111 102.417 -133.303 102.416 434.075 GPRESSURE: 2455200 119.085 -40.7681 -228.194 -103.773 57.6242 131.87 20.0298 -51.0745 492.768 PRESSAVG: 2455200 9.45462 18.5313 -47.0578 18.5313 -6.65712 5.74858 -47.0578 5.74863 28.6122 GPRESSAVG: 2455200 8.94311 16.2566 -49.4018 19.2489 -6.61748 9.2804 -44.8256 4.21515 28.7416 TIMING: 2455200 CPU: 7833.61, 0.00315206/step Wall: 7833.61, 0.00315206/step, 2.22815 hours remaining, 239.324219 MB of memory in use. ENERGY: 2455200 3907.7108 20406.9436 14504.7159 226.1150 -203653.4382 2773.6581 0.0000 0.0000 51827.6087 -110006.6862 297.8540 -161834.2949 -109656.9765 298.2775 189.7080 223.1593 761882.7673 10.4699 10.3557 PRESSURE: 2455400 156.287 6.38442 -55.4592 6.38525 355.766 71.86 -55.4594 71.8604 -26.3329 GPRESSURE: 2455400 114.266 30.2384 73.4821 -40.3887 519.585 111.693 -9.7794 58.586 -57.2038 PRESSAVG: 2455400 -12.7427 -24.4036 -47.5301 -24.4036 -3.62874 10.4223 -47.5301 10.4223 33.0744 GPRESSAVG: 2455400 -13.1484 -23.1913 -46.246 -23.4407 -3.05799 8.98004 -49.0092 10.9411 32.7556 TIMING: 2455400 CPU: 7834.24, 0.00314046/step Wall: 7834.24, 0.00314046/step, 2.21978 hours remaining, 239.324219 MB of memory in use. ENERGY: 2455400 4010.5162 20343.5332 14459.4836 249.5658 -203877.9119 2929.8818 0.0000 0.0000 51957.0958 -109927.8354 298.5981 -161884.9313 -109558.2584 298.1426 161.9067 192.2157 761143.8436 5.5676 5.5164 PRESSURE: 2455600 266.042 117.445 -193.487 117.445 32.9109 -220.513 -193.487 -220.513 150.622 GPRESSURE: 2455600 318.803 84.6165 -130.567 106.255 -7.3372 -122.965 -139.22 -210.817 220.129 PRESSAVG: 2455600 -4.21589 -7.39793 -20.83 -7.39797 -30.1064 -5.0821 -20.83 -5.08208 16.6004 GPRESSAVG: 2455600 -3.06437 -8.22083 -22.0267 -9.20522 -30.9833 -4.73592 -19.4774 -5.08322 16.7767 TIMING: 2455600 CPU: 7834.86, 0.00313391/step Wall: 7834.86, 0.00313391/step, 2.21498 hours remaining, 239.324219 MB of memory in use. ENERGY: 2455600 3965.0496 20463.9424 14514.6015 235.9258 -203833.9051 2888.1371 0.0000 0.0000 51848.0710 -109918.1778 297.9716 -161766.2487 -109561.0340 298.0683 149.8580 177.1985 762038.9974 -5.9073 -5.7570 PRESSURE: 2455800 -127.668 61.9276 -85.5013 61.9279 -124.255 -58.1723 -85.5015 -58.1726 -119.592 GPRESSURE: 2455800 -35.6713 -28.1664 32.7741 49.6885 -120.562 -108.395 -61.5273 56.279 -134.438 PRESSAVG: 2455800 0.20142 -4.15269 -23.5225 -4.15274 -26.5117 34.0092 -23.5226 34.0092 -11.2708 GPRESSAVG: 2455800 -1.10483 -5.39422 -23.0679 -2.16213 -24.8571 33.8152 -23.5632 36.1482 -10.9377 TIMING: 2455800 CPU: 7835.5, 0.00316521/step Wall: 7835.5, 0.00316521/step, 2.23693 hours remaining, 239.324219 MB of memory in use. ENERGY: 2455800 4017.3442 20453.4771 14417.2305 243.3578 -203343.0723 2432.7647 0.0000 0.0000 51864.8865 -109914.0115 298.0682 -161778.8981 -109559.0100 298.0768 -123.8384 -96.8903 762159.2603 -12.5270 -12.2998 PRESSURE: 2456000 460.939 38.4094 34.2708 38.4096 -40.8623 -82.7486 34.2717 -82.7481 102.411 GPRESSURE: 2456000 419.395 78.2939 -11.2252 32.4326 143.605 -80.8525 -42.5018 -174.929 54.6858 PRESSAVG: 2456000 -10.2125 35.3717 -36.3492 35.3717 24.9503 -26.0541 -36.3492 -26.0542 -5.54169 GPRESSAVG: 2456000 -7.94089 38.9989 -37.472 34.8936 23.5869 -24.7359 -36.3744 -29.887 -6.2209 TIMING: 2456000 CPU: 7836.12, 0.00311744/step Wall: 7836.12, 0.00311744/step, 2.20299 hours remaining, 239.324219 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: 2456000 3910.1838 20514.1583 14465.4072 254.3395 -203936.7012 2948.2852 0.0000 0.0000 51941.9779 -109902.3493 298.5113 -161844.3272 -109534.1498 298.3944 174.1626 205.8953 760178.0694 3.0654 3.1417 PRESSURE: 2456200 -162.124 -70.7111 59.0528 -70.7117 140.983 -67.0403 59.0526 -67.0399 -176.512 GPRESSURE: 2456200 -192.75 -2.57964 -76.7877 70.7445 210.754 -105.554 88.1169 -98.1167 -125.879 PRESSAVG: 2456200 11.837 2.69122 10.8012 2.69124 -4.88623 9.0788 10.8013 9.07874 -0.132439 GPRESSAVG: 2456200 10.6039 1.50627 12.0954 1.90138 -5.06469 8.34572 8.33486 10.4464 0.719961 TIMING: 2456200 CPU: 7836.75, 0.0031544/step Wall: 7836.75, 0.0031544/step, 2.22894 hours remaining, 239.324219 MB of memory in use. ENERGY: 2456200 3938.9665 20405.0051 14518.2897 253.5391 -203503.9635 2679.3354 0.0000 0.0000 51824.1086 -109884.7191 297.8339 -161708.8277 -109520.9787 298.1024 -65.8843 -35.9584 761579.8022 2.2728 2.0864 LDB: ============= START OF LOAD BALANCING ============== 7849.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7849.2 LDB: =============== DONE WITH MIGRATION ================ 7849.2 LDB: ============= START OF LOAD BALANCING ============== 7849.52 LDB: Largest compute 7072 load 0.035713 is 18.3% of average load 0.195305 LDB: Average compute 0.004394 is 2.2% of average load 0.195305 LDB: TIME 7849.52 LOAD: AVG 0.195305 MAX 0.214421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.375 MB LDB: TIME 7849.52 LOAD: AVG 0.195305 MAX 0.214421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: TIME 7849.52 LOAD: AVG 0.195305 MAX 0.214421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: ============== END OF LOAD BALANCING =============== 7849.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7849.53 PRESSURE: 2456400 197.839 -203.508 15.1186 -203.509 163.304 84.087 15.1183 84.0866 84.2218 GPRESSURE: 2456400 269.124 -205.793 102.749 -166.972 237.439 66.42 -19.0266 37.0383 38.8117 PRESSAVG: 2456400 -37.0664 -46.8843 -7.06108 -46.8843 68.0187 -1.21328 -7.06103 -1.21328 18.9396 GPRESSAVG: 2456400 -37.1129 -47.0721 -8.3738 -47.9543 68.8209 -1.74902 -4.47396 -0.971937 18.0612 TIMING: 2456400 CPU: 7837.39, 0.0032181/step Wall: 7837.39, 0.0032181/step, 2.27377 hours remaining, 240.664062 MB of memory in use. ENERGY: 2456400 3954.0977 20485.7610 14489.2184 258.8839 -203437.8893 2463.3752 0.0000 0.0000 52062.0915 -109724.4616 299.2016 -161786.5531 -109368.2045 298.1356 148.4549 181.7915 760569.5947 16.6307 16.5898 PRESSURE: 2456600 -113.191 -54.0221 167.481 -54.0215 28.4026 196.713 167.481 196.713 15.1303 GPRESSURE: 2456600 8.12148 74.4665 229.976 -79.4518 4.63621 161.251 80.369 154.577 8.30251 PRESSAVG: 2456600 2.39957 2.88618 -2.40336 2.88614 21.533 0.611309 -2.4034 0.611299 -9.02244 GPRESSAVG: 2456600 3.16931 2.07419 -1.36563 4.13407 20.002 0.434351 -2.62958 -0.367153 -7.81569 TIMING: 2456600 CPU: 7838.03, 0.00316271/step Wall: 7838.03, 0.00316271/step, 2.23445 hours remaining, 240.664062 MB of memory in use. ENERGY: 2456600 3976.3374 20590.6957 14493.2716 232.0380 -203365.5096 2487.4022 0.0000 0.0000 51980.2383 -109605.5264 298.7311 -161585.7647 -109239.9666 299.1966 -23.2192 7.0201 761913.8359 4.9701 5.1186 PRESSURE: 2456800 -178.546 1.39762 -109.628 1.39827 -207.824 -120.711 -109.628 -120.711 -37.7649 GPRESSURE: 2456800 -70.4201 61.9968 -83.3125 -35.8113 -214.241 -111.763 -15.8512 -114.058 -43.5483 PRESSAVG: 2456800 -76.0742 16.9928 -23.2916 16.9929 16.0775 17.0414 -23.2916 17.0414 -4.22278 GPRESSAVG: 2456800 -75.0705 17.38 -21.2354 17.0802 16.0073 17.1328 -25.901 17.6895 -4.96451 TIMING: 2456800 CPU: 7838.65, 0.00314089/step Wall: 7838.65, 0.00314089/step, 2.21887 hours remaining, 240.664062 MB of memory in use. ENERGY: 2456800 3943.1040 20607.3554 14457.4681 252.7578 -203688.4497 2705.8603 0.0000 0.0000 52076.3953 -109645.5088 299.2838 -161721.9041 -109267.7636 298.7547 -141.3781 -109.4033 761668.8861 -21.4065 -21.3426 PRESSURE: 2457000 238.781 -144.662 75.7737 -144.662 23.1299 -61.6081 75.7735 -61.6083 -235.322 GPRESSURE: 2457000 231.417 28.8889 166.579 -248.887 97.3386 -135.117 -66.9387 -50.0841 -232.768 PRESSAVG: 2457000 1.77557 18.0248 -15.128 18.0249 46.4311 -6.99435 -15.128 -6.99441 -27.8572 GPRESSAVG: 2457000 0.603334 18.7609 -16.0115 16.8241 46.846 -7.05603 -13.0555 -6.72099 -27.2156 TIMING: 2457000 CPU: 7839.28, 0.00313926/step Wall: 7839.28, 0.00313926/step, 2.21754 hours remaining, 240.664062 MB of memory in use. ENERGY: 2457000 3943.5815 20595.7320 14423.9941 240.3652 -203331.2305 2454.3425 0.0000 0.0000 51937.1780 -109736.0372 298.4837 -161673.2152 -109380.8354 299.1227 8.8629 31.9962 759736.9555 6.7831 6.7446 PRESSURE: 2457200 3.16838 65.8231 191.073 65.823 -173.178 46.3245 191.073 46.3241 207.654 GPRESSURE: 2457200 37.798 20.637 113.569 43.9167 -41.7391 55.3131 90.2949 96.2695 135.403 PRESSAVG: 2457200 -2.37653 11.5066 -37.021 11.5066 4.09784 20.3862 -37.021 20.3863 5.07097 GPRESSAVG: 2457200 -1.90709 10.9679 -37.4253 11.6788 4.4766 20.6647 -38.5532 19.2578 4.39737 TIMING: 2457200 CPU: 7839.91, 0.00314765/step Wall: 7839.91, 0.00314765/step, 2.22329 hours remaining, 240.664062 MB of memory in use. ENERGY: 2457200 3853.7333 20549.6830 14387.4245 267.3416 -203617.6296 2509.0793 0.0000 0.0000 52238.8432 -109811.5248 300.2173 -162050.3679 -109442.9127 299.1341 12.5483 43.8205 759232.7031 2.2641 2.3223 PRESSURE: 2457400 150.318 3.51439 4.67211 3.51389 105.274 -127.321 4.67054 -127.321 -234.586 GPRESSURE: 2457400 146.323 42.9596 34.56 2.07842 175.443 -103.363 12.1832 58.8671 -233.446 PRESSAVG: 2457400 43.953 -21.2122 42.7341 -21.2122 7.82334 -25.624 42.7341 -25.624 -16.3741 GPRESSAVG: 2457400 42.9755 -21.5376 39.5266 -18.9387 9.05924 -25.4538 44.6808 -25.2681 -16.418 TIMING: 2457400 CPU: 7840.54, 0.00315409/step Wall: 7840.54, 0.00315409/step, 2.22766 hours remaining, 240.664062 MB of memory in use. ENERGY: 2457400 4037.1766 20496.5115 14451.1827 255.3127 -203625.9225 2444.5928 0.0000 0.0000 52250.4587 -109690.6876 300.2841 -161941.1463 -109334.9834 298.6068 7.0021 29.4401 760540.0531 11.8008 11.8722 PRESSURE: 2457600 228.199 161.176 56.9375 161.176 -5.37763 -43.8916 56.9374 -43.8917 -30.7986 GPRESSURE: 2457600 204.992 184.876 101.17 180.873 104.333 -11.5861 8.13543 -171.757 -38.5287 PRESSAVG: 2457600 5.28952 -21.1288 16.1304 -21.1288 -8.14203 -72.0917 16.1304 -72.0917 3.47698 GPRESSAVG: 2457600 5.60483 -20.8991 18.3245 -22.3971 -7.9693 -73.0332 15.337 -70.5517 3.335 TIMING: 2457600 CPU: 7841.17, 0.00314939/step Wall: 7841.17, 0.00314939/step, 2.22417 hours remaining, 240.664062 MB of memory in use. ENERGY: 2457600 3885.9330 20584.1740 14447.2913 229.2803 -203680.3849 2725.4842 0.0000 0.0000 52013.7323 -109794.4898 298.9236 -161808.2221 -109433.0475 298.8865 64.0075 90.2656 759287.3494 0.2082 0.3235 PRESSURE: 2457800 508.974 -188.754 -267.034 -188.754 -53.224 -95.0293 -267.035 -95.0291 36.0716 GPRESSURE: 2457800 468.205 -255.759 -204.902 -170.197 114.482 -41.189 -205.583 1.05103 7.54817 PRESSAVG: 2457800 70.9639 -23.3439 10.738 -23.3439 -49.6375 -6.08485 10.7379 -6.08486 -0.459013 GPRESSAVG: 2457800 70.9257 -20.9743 11.4174 -22.2083 -50.0071 -4.80892 10.7414 -7.17919 -0.227021 TIMING: 2457800 CPU: 7841.8, 0.00315569/step Wall: 7841.8, 0.00315569/step, 2.22844 hours remaining, 240.664062 MB of memory in use. ENERGY: 2457800 3986.4944 20509.1619 14502.7354 238.4769 -203922.6770 2857.2151 0.0000 0.0000 52074.8693 -109753.7240 299.2750 -161828.5933 -109390.7732 299.0871 163.9406 196.7451 760864.4966 6.9558 6.8972 PRESSURE: 2458000 -275.337 -16.3562 -182.132 -16.3554 -81.2417 202.163 -182.132 202.162 -65.3102 GPRESSURE: 2458000 -277.782 10.2048 -102.463 -94.9591 -17.6263 136.711 -202.454 92.906 -33.4128 PRESSAVG: 2458000 25.0755 -6.84169 26.5061 -6.8417 -25.2725 21.7374 26.5062 21.7374 -8.21584 GPRESSAVG: 2458000 24.4789 -8.11698 25.8194 -8.1847 -24.546 21.0685 27.3676 22.5738 -8.32072 TIMING: 2458000 CPU: 7842.43, 0.00314937/step Wall: 7842.43, 0.00314937/step, 2.22381 hours remaining, 240.664062 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: 2458000 4053.9436 20687.2129 14502.5260 252.9039 -203573.8646 2546.2008 0.0000 0.0000 52012.3212 -109518.7562 298.9155 -161531.0774 -109162.9827 298.6368 -140.6296 -109.6070 761725.9558 -2.8043 -2.7960 PRESSURE: 2458200 -250.767 42.8893 57.7034 42.8887 204.458 140.983 57.7038 140.983 283.421 GPRESSURE: 2458200 -128.804 55.2463 32.766 71.2019 211.887 177.305 99.56 114.499 261.295 PRESSAVG: 2458200 3.7911 -6.2722 1.28091 -6.2722 13.7264 15.0329 1.28089 15.0329 -7.59016 GPRESSAVG: 2458200 4.37455 -7.09203 1.35226 -5.21388 12.7218 14.7938 1.01133 16.2224 -7.72429 TIMING: 2458200 CPU: 7843.06, 0.00314681/step Wall: 7843.06, 0.00314681/step, 2.22183 hours remaining, 240.664062 MB of memory in use. ENERGY: 2458200 4004.5865 20529.0404 14442.8485 243.2189 -203347.1217 2586.1981 0.0000 0.0000 51832.8972 -109708.3320 297.8844 -161541.2292 -109355.4948 298.6713 79.0374 114.7928 761859.4580 3.3091 3.1240 PRESSURE: 2458400 2.75515 -133.942 -141.315 -133.942 134.338 165.43 -141.315 165.43 393.193 GPRESSURE: 2458400 -22.3606 -223.969 -199.651 -177.73 285.689 58.949 -140.748 296.84 377.213 PRESSAVG: 2458400 15.4489 -1.97241 20.6115 -1.97245 -7.04221 -30.0295 20.6115 -30.0295 1.52626 GPRESSAVG: 2458400 15.9126 -0.316227 19.6796 -4.18605 -6.65759 -31.0542 22.0697 -31.6766 1.13343 TIMING: 2458400 CPU: 7843.69, 0.00314606/step Wall: 7843.69, 0.00314606/step, 2.22112 hours remaining, 240.664062 MB of memory in use. ENERGY: 2458400 3936.3853 20484.7143 14421.3385 259.4378 -203950.8695 2854.1277 0.0000 0.0000 52211.8328 -109783.0330 300.0621 -161994.8658 -109423.0656 298.6886 176.7619 213.5138 760754.8326 3.3110 3.4628 PRESSURE: 2458600 12.0658 -122.875 77.0855 -122.875 -424.536 96.0875 77.0846 96.0876 -146.93 GPRESSURE: 2458600 -1.4447 -65.6222 28.9955 45.4083 -352.673 83.8451 157.583 85.5113 -121.024 PRESSAVG: 2458600 -19.5405 -3.62713 -8.16044 -3.62706 -4.50628 3.77322 -8.16046 3.77332 24.2867 GPRESSAVG: 2458600 -19.0226 -3.66762 -6.90174 -1.87938 -4.44038 4.52593 -8.99714 5.43272 23.7529 TIMING: 2458600 CPU: 7844.32, 0.00315926/step Wall: 7844.32, 0.00315926/step, 2.23026 hours remaining, 240.664062 MB of memory in use. ENERGY: 2458600 3974.3809 20654.1631 14438.1869 244.5397 -203045.6722 2178.7503 0.0000 0.0000 51909.0118 -109646.6396 298.3218 -161555.6514 -109285.0853 299.0435 -186.4669 -158.3805 760955.0878 0.0800 0.0967 PRESSURE: 2458800 -209.432 -31.1691 212.939 -31.1686 117.339 -0.284153 212.939 -0.283711 -321.957 GPRESSURE: 2458800 -151.331 -112.485 195.921 -41.0042 172.281 -2.37663 249.342 55.4664 -345.148 PRESSAVG: 2458800 33.2915 -27.9125 79.8049 -27.9124 -25.8142 -14.1219 79.805 -14.1219 -4.18284 GPRESSAVG: 2458800 32.3321 -27.8052 80.3153 -28.6514 -26.5226 -14.4734 78.2182 -15.3185 -2.49845 TIMING: 2458800 CPU: 7844.95, 0.00314816/step Wall: 7844.95, 0.00314816/step, 2.22225 hours remaining, 240.664062 MB of memory in use. ENERGY: 2458800 3941.0336 20517.7299 14442.3709 279.8075 -203354.9874 2382.9433 0.0000 0.0000 52026.7880 -109764.3142 298.9987 -161791.1022 -109409.1058 298.6772 -138.0168 -108.0660 760993.8911 1.0981 1.1037 PRESSURE: 2459000 111.162 -132.082 31.8578 -132.082 18.3415 43.416 31.8585 43.4164 172.726 GPRESSURE: 2459000 157.767 -178.291 56.397 -124.585 -48.9598 13.6259 -98.6286 89.5298 271.781 PRESSAVG: 2459000 52.3704 -13.2324 52.1744 -13.2325 -66.1517 67.364 52.1744 67.364 19.9146 GPRESSAVG: 2459000 53.2399 -15.04 52.1777 -11.6772 -65.1541 67.7366 54.3955 68.4823 18.3128 TIMING: 2459000 CPU: 7845.59, 0.00316978/step Wall: 7845.59, 0.00316978/step, 2.23734 hours remaining, 240.664062 MB of memory in use. ENERGY: 2459000 3904.9547 20444.0801 14480.8418 251.0018 -203419.5819 2573.6340 0.0000 0.0000 52162.8257 -109602.2437 299.7805 -161765.0694 -109239.3100 298.6932 100.7431 126.8627 760758.5817 2.0444 2.1329 PRESSURE: 2459200 -146.391 -47.9487 -44.1286 -47.9482 120.847 53.3797 -44.1286 53.3801 -279.666 GPRESSURE: 2459200 -52.8636 43.7417 -40.7851 -28.2702 93.3791 83.4943 -58.7453 -29.9006 -252.924 PRESSAVG: 2459200 3.85667 -47.7003 24.0891 -47.7002 -9.75536 16.551 24.0891 16.551 -4.49195 GPRESSAVG: 2459200 3.71162 -47.1139 22.831 -49.2746 -11.1097 14.9617 24.3003 16.2637 -3.20586 TIMING: 2459200 CPU: 7846.22, 0.00318166/step Wall: 7846.22, 0.00318166/step, 2.24555 hours remaining, 240.664062 MB of memory in use. ENERGY: 2459200 3954.9708 20474.3595 14440.4358 249.6732 -203339.2382 2604.2671 0.0000 0.0000 51844.8536 -109770.6780 297.9531 -161615.5316 -109420.1399 299.0142 -101.7368 -70.8030 761518.7929 -3.4635 -3.5346 PRESSURE: 2459400 -108.381 164.162 -128.932 164.162 -435.887 -146.467 -128.933 -146.467 -23.0032 GPRESSURE: 2459400 -83.391 61.1052 -5.96592 67.6015 -324.505 -157.419 -174.046 51.3464 -59.9155 PRESSAVG: 2459400 15.2861 -16.3506 64.739 -16.3506 31.0116 0.8661 64.7391 0.866055 -29.099 GPRESSAVG: 2459400 15.2094 -16.2271 64.2246 -15.9808 31.8328 1.73665 65.6985 1.5554 -29.3379 TIMING: 2459400 CPU: 7846.86, 0.00316075/step Wall: 7846.86, 0.00316075/step, 2.23061 hours remaining, 240.664062 MB of memory in use. ENERGY: 2459400 3965.2498 20367.0731 14457.4501 287.6410 -203289.2858 2322.6377 0.0000 0.0000 52011.9136 -109877.3205 298.9132 -161889.2341 -109505.3892 298.9198 -189.0906 -155.9371 761478.5217 5.7329 5.9015 PRESSURE: 2459600 -312.899 206.897 4.43517 206.899 -255.868 105.926 4.43569 105.927 -240.332 GPRESSURE: 2459600 -371.134 88.6855 -15.9924 182.293 -159.408 171.427 -26.0246 52.9377 -185.779 PRESSAVG: 2459600 -27.0129 10.8803 23.5342 10.8803 25.1557 17.5177 23.5341 17.5177 22.2293 GPRESSAVG: 2459600 -26.9593 11.5453 23.3961 10.0395 25.8395 17.5035 22.9388 17.684 21.5519 TIMING: 2459600 CPU: 7847.49, 0.00316457/step Wall: 7847.49, 0.00316457/step, 2.23313 hours remaining, 240.664062 MB of memory in use. ENERGY: 2459600 4057.0090 20407.2946 14460.7217 223.2181 -203227.5610 2260.5954 0.0000 0.0000 52190.6190 -109628.1032 299.9402 -161818.7222 -109269.6397 299.2391 -269.6997 -238.7737 761218.8520 6.7907 6.8107 PRESSURE: 2459800 -120.286 -89.8841 60.1815 -89.8838 -178.203 -54.2096 60.1818 -54.2088 -241.64 GPRESSURE: 2459800 -129.176 91.7721 121.691 -26.0784 -129.58 29.6559 37.816 -130.403 -185.682 PRESSAVG: 2459800 25.642 -78.0441 9.0247 -78.0441 12.4061 -15.9888 9.02469 -15.9888 5.99666 GPRESSAVG: 2459800 26.9935 -79.1661 10.3265 -76.4434 9.93345 -16.4752 9.55192 -18.3306 7.14016 TIMING: 2459800 CPU: 7848.12, 0.0031603/step Wall: 7848.12, 0.0031603/step, 2.22994 hours remaining, 240.664062 MB of memory in use. ENERGY: 2459800 4095.3440 20447.4029 14463.3106 250.6266 -203155.8679 2273.2635 0.0000 0.0000 52013.6299 -109612.2904 298.9230 -161625.9204 -109257.2627 299.1142 -180.0430 -148.1462 759828.4236 14.6816 14.6890 PRESSURE: 2460000 26.1037 21.2624 110.106 21.2624 9.83185 -12.4661 110.105 -12.465 62.7995 GPRESSURE: 2460000 52.577 61.7975 89.4808 -81.5522 136.07 -36.4338 114.977 122.92 10.2627 PRESSAVG: 2460000 -5.31896 0.988528 71.4846 0.988518 52.756 3.03161 71.4846 3.0317 0.644428 GPRESSAVG: 2460000 -7.53475 0.0445621 71.2572 2.11461 54.9152 4.50106 71.3632 3.26 0.769158 TIMING: 2460000 CPU: 7848.75, 0.00315901/step Wall: 7848.75, 0.00315901/step, 2.22885 hours remaining, 240.664062 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: 2460000 3989.3848 20519.3121 14503.5208 244.8751 -203472.6312 2611.3943 0.0000 0.0000 51983.6615 -109620.4824 298.7508 -161604.1440 -109257.3238 299.1996 32.9117 66.3033 761316.5304 16.0272 16.0499 PRESSURE: 2460200 46.6232 -9.719 21.4751 -9.71864 -162.994 321.927 21.4753 321.927 140.141 GPRESSURE: 2460200 72.516 81.4938 96.3594 0.674103 -69.6732 323.534 100.746 191.383 124.917 PRESSAVG: 2460200 62.7517 32.9809 66.194 32.9809 -77.2615 34.8444 66.194 34.8444 -6.5576 GPRESSAVG: 2460200 64.4058 35.3239 66.1628 31.0295 -78.781 34.072 68.4588 35.7562 -6.88366 TIMING: 2460200 CPU: 7849.38, 0.00314867/step Wall: 7849.38, 0.00314867/step, 2.22138 hours remaining, 240.664062 MB of memory in use. ENERGY: 2460200 4014.7130 20328.6424 14433.8626 264.3255 -203194.1668 2395.9483 0.0000 0.0000 52011.0912 -109745.5838 298.9085 -161756.6750 -109378.3167 298.7864 7.9235 42.5867 760901.5744 -7.0225 -7.0863 LDB: ============= START OF LOAD BALANCING ============== 7861.83 LDB: ============== END OF LOAD BALANCING =============== 7861.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7861.84 LDB: ============= START OF LOAD BALANCING ============== 7862.15 LDB: Largest compute 7072 load 0.034694 is 17.8% of average load 0.195270 LDB: Average compute 0.004387 is 2.2% of average load 0.195270 LDB: TIME 7862.15 LOAD: AVG 0.19527 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 7862.15 LOAD: AVG 0.19527 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.926 MB LDB: TIME 7862.15 LOAD: AVG 0.19527 MAX 0.21547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.926 MB LDB: ============== END OF LOAD BALANCING =============== 7862.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7862.16 PRESSURE: 2460400 243.789 -274.297 -67.9822 -274.297 -70.8935 -154.512 -67.9807 -154.513 -173.356 GPRESSURE: 2460400 246.798 -175.798 -7.81938 -225.153 50.2375 -119.912 -32.816 -7.1475 -191.337 PRESSAVG: 2460400 67.1869 -22.8994 83.8631 -22.8994 -44.2331 24.3626 83.8631 24.3625 1.84859 GPRESSAVG: 2460400 66.2129 -23.7164 84.2812 -23.8792 -43.609 24.927 81.3362 24.9687 1.73332 TIMING: 2460400 CPU: 7850.03, 0.00321411/step Wall: 7850.03, 0.00321411/step, 2.26738 hours remaining, 241.375000 MB of memory in use. ENERGY: 2460400 4043.3749 20720.6369 14475.2677 238.6720 -203336.1913 2615.4536 0.0000 0.0000 51925.7773 -109317.0089 298.4182 -161242.7862 -108966.2314 299.1777 -0.1534 35.2329 760270.1545 8.2675 8.1124 PRESSURE: 2460600 -103.478 98.7623 -130.744 98.7613 102.534 -177.599 -130.743 -177.599 -266.45 GPRESSURE: 2460600 -50.3663 86.9326 -120.725 128.231 143.038 -231.793 -19.6903 -156.401 -278.576 PRESSAVG: 2460600 17.1334 -4.18231 22.2427 -4.18236 38.9138 2.26733 22.2427 2.26735 -12.9709 GPRESSAVG: 2460600 17.6337 -2.79205 21.3042 -4.76878 38.2196 2.14251 23.5101 0.939625 -12.9874 TIMING: 2460600 CPU: 7850.66, 0.00315592/step Wall: 7850.66, 0.00315592/step, 2.22615 hours remaining, 241.375000 MB of memory in use. ENERGY: 2460600 4086.8460 20546.7677 14531.8965 265.7585 -203367.0801 2739.8620 0.0000 0.0000 52179.2749 -109016.6746 299.8750 -161195.9495 -108658.4387 300.0024 -89.1315 -61.9680 761793.4671 14.3588 14.2886 PRESSURE: 2460800 -146.389 -148.027 -52.8376 -148.028 144.276 75.5834 -52.8379 75.5831 54.8689 GPRESSURE: 2460800 -134.002 -187.368 -33.9341 -42.2178 167.713 8.79935 4.95585 5.89796 96.0825 PRESSAVG: 2460800 -22.6984 -38.7077 17.2991 -38.7077 41.7808 -21.7714 17.2991 -21.7715 -7.92498 GPRESSAVG: 2460800 -23.779 -40.7722 17.7038 -37.9828 42.4842 -21.5101 15.9606 -19.9602 -7.192 TIMING: 2460800 CPU: 7851.3, 0.00319344/step Wall: 7851.3, 0.00319344/step, 2.25244 hours remaining, 241.375000 MB of memory in use. ENERGY: 2460800 4010.8456 20515.1092 14477.5359 245.2059 -203302.2271 2750.0980 0.0000 0.0000 52028.7900 -109274.6425 299.0102 -161303.4325 -108911.6192 299.8349 17.5852 43.2648 761805.4839 3.7192 3.8377 PRESSURE: 2461000 -117.249 61.7835 -171.153 61.7835 123.69 43.5089 -171.153 43.5084 28.1709 GPRESSURE: 2461000 -107.223 27.0139 -196.35 -2.83589 218.175 33.7709 -53.6866 74.253 18.2719 PRESSAVG: 2461000 -33.2746 -40.3672 37.5178 -40.3672 22.059 -13.5758 37.5178 -13.5758 52.9946 GPRESSAVG: 2461000 -32.9172 -40.2644 37.609 -38.1995 22.3284 -14.217 39.4075 -13.8034 52.0312 TIMING: 2461000 CPU: 7851.92, 0.00313728/step Wall: 7851.92, 0.00313728/step, 2.21266 hours remaining, 241.375000 MB of memory in use. ENERGY: 2461000 3977.6007 20472.3842 14490.7962 226.4702 -203193.6143 2351.6705 0.0000 0.0000 52372.6623 -109302.0303 300.9864 -161674.6926 -108942.0551 299.4311 11.5376 43.0748 761960.0105 13.9263 13.8141 PRESSURE: 2461200 127.345 -58.7758 103.563 -58.7759 -131.414 133.626 103.564 133.626 -29.0381 GPRESSURE: 2461200 133.075 23.3383 78.4773 -29.231 7.8655 109.354 73.9448 47.8243 -92.8924 PRESSAVG: 2461200 11.8623 13.4255 33.4528 13.4255 -2.95715 9.81726 33.4528 9.81731 -3.95081 GPRESSAVG: 2461200 11.2234 14.0706 33.7753 12.5264 -3.2891 11.5382 31.1982 7.04817 -3.54569 TIMING: 2461200 CPU: 7852.55, 0.00315303/step Wall: 7852.55, 0.00315303/step, 2.22359 hours remaining, 241.375000 MB of memory in use. ENERGY: 2461200 4086.8873 20491.1323 14453.2423 249.9336 -203607.8442 2879.8947 0.0000 0.0000 52122.6251 -109324.1287 299.5494 -161446.7538 -108973.5345 299.6886 -11.0359 16.0160 761130.4185 1.6515 1.4629 PRESSURE: 2461400 190.994 -35.3508 415.536 -35.3505 -167.393 2.86586 415.535 2.86581 -262.157 GPRESSURE: 2461400 269.355 -60.9433 286.903 -168.961 -137.621 39.377 406.703 45.2363 -301.131 PRESSAVG: 2461400 -9.66276 -19.8664 50.7899 -19.8664 -14.2455 -9.90402 50.79 -9.90396 -12.1182 GPRESSAVG: 2461400 -9.4004 -21.9191 50.9724 -17.628 -13.1044 -11.5328 49.9962 -8.64965 -13.4194 TIMING: 2461400 CPU: 7853.18, 0.00314275/step Wall: 7853.18, 0.00314275/step, 2.21616 hours remaining, 241.375000 MB of memory in use. ENERGY: 2461400 4021.7274 20337.3747 14441.4571 236.5014 -203296.2190 2716.8178 0.0000 0.0000 52139.3183 -109403.0223 299.6454 -161542.3406 -109031.8793 299.4813 -79.5185 -56.4656 762097.5118 -12.0088 -11.9747 PRESSURE: 2461600 36.9317 76.6169 53.8312 76.6179 -293.647 -169.048 53.8311 -169.048 13.1871 GPRESSURE: 2461600 47.1773 16.8343 115.997 8.78029 -197.086 -98.4205 -35.4546 -123.023 0.467386 PRESSAVG: 2461600 10.6874 -46.6853 9.32102 -46.6853 -16.2802 4.20331 9.32104 4.20331 9.18992 GPRESSAVG: 2461600 10.6149 -44.9219 8.46056 -49.9572 -17.3935 6.6215 8.85929 4.40211 10.1461 TIMING: 2461600 CPU: 7853.81, 0.00315541/step Wall: 7853.81, 0.00315541/step, 2.22492 hours remaining, 241.375000 MB of memory in use. ENERGY: 2461600 3910.7473 20395.7027 14344.5232 231.5141 -203380.3768 2687.9202 0.0000 0.0000 52299.7751 -109510.1942 300.5675 -161809.9693 -109144.8903 299.2478 -81.1760 -49.8139 762844.9230 1.1990 1.1225 PRESSURE: 2461800 -127.168 43.2178 -107.943 43.218 -34.9118 180.227 -107.943 180.227 -246.401 GPRESSURE: 2461800 -55.0537 89.4594 -151.328 56.0283 -90.096 126.017 -67.4086 65.353 -196.609 PRESSAVG: 2461800 12.5607 -2.38763 -12.0352 -2.38762 -32.206 2.6592 -12.0351 2.65921 -9.02642 GPRESSAVG: 2461800 13.4122 -1.26899 -12.0844 -2.08685 -32.9608 1.05513 -11.225 1.56243 -8.87834 TIMING: 2461800 CPU: 7854.44, 0.0031386/step Wall: 7854.44, 0.0031386/step, 2.21289 hours remaining, 241.375000 MB of memory in use. ENERGY: 2461800 3962.0712 20550.7164 14488.8052 272.4447 -203592.8315 2767.5493 0.0000 0.0000 51991.0825 -109560.1621 298.7935 -161551.2447 -109201.4590 298.9320 -136.1601 -113.9194 762125.7590 -9.5573 -9.4756 PRESSURE: 2462000 116.356 -67.9143 -15.9415 -67.9131 149.872 -106.564 -15.942 -106.564 369.575 GPRESSURE: 2462000 225.393 -87.62 -29.8844 -17.207 216.41 -123.634 115.858 47.4133 274.598 PRESSAVG: 2462000 13.4652 -23.7144 -37.6686 -23.7144 -73.6416 1.43353 -37.6686 1.43351 3.84336 GPRESSAVG: 2462000 13.9252 -26.2083 -37.5108 -20.516 -73.8052 -0.48206 -35.2761 4.88842 2.87371 TIMING: 2462000 CPU: 7855.07, 0.00313116/step Wall: 7855.07, 0.00313116/step, 2.20746 hours remaining, 241.375000 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: 2462000 3985.5704 20428.3095 14485.6002 251.3908 -203085.3660 2675.1153 0.0000 0.0000 51957.6767 -109301.7030 298.6015 -161259.3797 -108937.1420 298.9819 211.9341 238.8003 762077.7768 -18.7777 -19.0021 PRESSURE: 2462200 -272.247 150.986 -40.9512 150.986 -522.39 203.681 -40.9512 203.68 -113.99 GPRESSURE: 2462200 -250.466 107.518 -89.9811 88.1826 -462.286 200.548 -71.0748 216.069 -79.3713 PRESSAVG: 2462200 -41.7982 3.48692 -0.128527 3.48688 19.4921 -28.7269 -0.12863 -28.7269 -14.3355 GPRESSAVG: 2462200 -43.1634 5.98581 1.28602 1.79879 19.7185 -27.091 -2.01737 -29.8016 -13.6412 TIMING: 2462200 CPU: 7855.7, 0.00314667/step Wall: 7855.7, 0.00314667/step, 2.21823 hours remaining, 241.375000 MB of memory in use. ENERGY: 2462200 3983.9817 20408.1900 14429.1502 247.8534 -202768.4115 2185.9525 0.0000 0.0000 52178.0405 -109335.2432 299.8679 -161513.2837 -108976.9288 299.6331 -302.8756 -264.0411 761450.3833 -12.2139 -12.3620 PRESSURE: 2462400 149.727 -124.242 216.917 -124.243 -67.175 128.297 216.916 128.297 -146.186 GPRESSURE: 2462400 122.791 -93.0206 215.2 -189.929 48.5451 173.884 156.699 29.9864 -139.539 PRESSAVG: 2462400 -3.2958 -20.446 28.8969 -20.446 -22.9317 -1.49801 28.8969 -1.49807 -29.1889 GPRESSAVG: 2462400 -3.55674 -20.5506 27.8756 -20.3656 -22.3422 -1.05569 30.5646 -1.30095 -28.8129 TIMING: 2462400 CPU: 7856.33, 0.0031692/step Wall: 7856.33, 0.0031692/step, 2.23393 hours remaining, 241.375000 MB of memory in use. ENERGY: 2462400 3909.6621 20487.0713 14527.7785 229.6379 -203187.8577 2573.0737 0.0000 0.0000 51938.1174 -109522.5168 298.4891 -161460.6342 -109158.8935 299.4723 -21.2114 10.5990 762699.7048 -18.4721 -18.2373 PRESSURE: 2462600 314.964 -56.0296 48.5649 -56.0296 -78.6372 -31.2188 48.5649 -31.2193 5.44349 GPRESSURE: 2462600 345.71 -71.5232 136.971 -149.405 -46.1815 -67.1819 52.4834 -43.4009 30.5184 PRESSAVG: 2462600 15.4124 26.7469 21.898 26.747 -36.9053 2.78383 21.898 2.78382 5.52462 GPRESSAVG: 2462600 14.738 24.5545 23.0164 24.4327 -36.9314 1.18033 17.9747 2.54511 6.18296 TIMING: 2462600 CPU: 7856.96, 0.00316007/step Wall: 7856.96, 0.00316007/step, 2.22732 hours remaining, 241.375000 MB of memory in use. ENERGY: 2462600 4061.2159 20418.0891 14521.3171 233.0629 -203811.6402 2997.9119 0.0000 0.0000 51948.0265 -109632.0169 298.5460 -161580.0435 -109277.6807 299.3015 80.5900 110.0158 761537.4493 -5.3228 -5.3368 PRESSURE: 2462800 -341.077 -276.584 -31.694 -276.584 12.591 -101.59 -31.6936 -101.59 -80.786 GPRESSURE: 2462800 -256.498 -226.994 -205.449 -345.316 17.872 -51.8199 -4.09668 -165.442 -66.395 PRESSAVG: 2462800 -78.427 -32.5237 -16.9415 -32.5237 58.7126 1.92551 -16.9416 1.92559 16.8816 GPRESSAVG: 2462800 -78.0253 -31.9911 -18.389 -31.5127 58.3462 2.63698 -13.2367 1.03526 16.525 TIMING: 2462800 CPU: 7857.59, 0.00314981/step Wall: 7857.59, 0.00314981/step, 2.21992 hours remaining, 241.375000 MB of memory in use. ENERGY: 2462800 3968.2797 20578.4277 14514.9747 233.7860 -203146.5779 2401.5265 0.0000 0.0000 51767.1836 -109682.3997 297.5067 -161449.5833 -109322.1242 298.5711 -136.4240 -101.6736 761340.7641 -0.9443 -1.0514 PRESSURE: 2463000 -42.0505 -23.0046 -7.41285 -23.0049 -28.6005 183.994 -7.41402 183.993 16.1735 GPRESSURE: 2463000 -33.0611 -29.1546 -50.2245 -55.0347 62.5135 139.754 268.238 193.9 14.1612 PRESSAVG: 2463000 -11.4757 7.85449 -24.076 7.85451 -0.712347 16.2022 -24.0761 16.2022 -14.9642 GPRESSAVG: 2463000 -10.5698 7.78886 -23.3258 8.25477 -1.37046 16.5387 -22.4889 18.572 -15.2281 TIMING: 2463000 CPU: 7858.22, 0.00312912/step Wall: 7858.22, 0.00312912/step, 2.20516 hours remaining, 241.375000 MB of memory in use. ENERGY: 2463000 4011.6682 20506.2873 14495.7505 225.5073 -203266.2359 2561.2000 0.0000 0.0000 51849.2201 -109616.6026 297.9782 -161465.8226 -109248.1691 298.7967 -18.1592 14.5379 761539.6055 -9.0507 -9.0561 PRESSURE: 2463200 -39.7254 4.48558 33.4684 4.48515 -433.552 102.851 33.4682 102.851 -412.902 GPRESSURE: 2463200 -70.7156 -2.98686 126.41 50.8321 -371.88 42.7267 6.83936 36.2285 -347.805 PRESSAVG: 2463200 -1.75685 -23.127 -21.6245 -23.127 -5.58931 1.80612 -21.6245 1.80608 1.55808 GPRESSAVG: 2463200 -2.44261 -23.4465 -21.7769 -21.7155 -4.82625 -0.0481964 -23.5234 0.426747 1.19149 TIMING: 2463200 CPU: 7858.85, 0.0031552/step Wall: 7858.85, 0.0031552/step, 2.22336 hours remaining, 241.375000 MB of memory in use. ENERGY: 2463200 4011.1298 20454.3112 14517.3815 228.6776 -203403.1271 2585.0196 0.0000 0.0000 52002.4208 -109604.1866 298.8586 -161606.6074 -109243.2347 298.8754 -295.3931 -263.4668 760275.3495 -1.9294 -2.0258 PRESSURE: 2463400 -220.809 -21.6232 114.473 -21.6233 -399.456 -436.245 114.473 -436.244 -296.055 GPRESSURE: 2463400 -307.987 -71.5141 136.574 -66.1729 -339.968 -357.74 7.7117 -314.766 -196.681 PRESSAVG: 2463400 38.1018 -9.11697 20.0924 -9.11693 -25.098 -22.1571 20.0924 -22.1571 23.6237 GPRESSAVG: 2463400 38.4409 -9.83298 19.5673 -9.90255 -25.1094 -20.1062 21.1902 -23.7058 23.4115 TIMING: 2463400 CPU: 7859.48, 0.0031312/step Wall: 7859.48, 0.0031312/step, 2.20628 hours remaining, 241.375000 MB of memory in use. ENERGY: 2463400 4030.5100 20407.2730 14449.9314 238.8022 -202859.0147 2295.6194 0.0000 0.0000 51963.2663 -109473.6124 298.6336 -161436.8787 -109110.1701 298.7971 -305.4397 -281.5455 762684.6837 12.2092 12.2477 PRESSURE: 2463600 416.703 228.653 235.363 228.652 -61.9855 -285.301 235.363 -285.303 -247.614 GPRESSURE: 2463600 523.087 236.394 280.381 282.831 -150.073 -236.094 132.002 -204.312 -177.694 PRESSAVG: 2463600 6.85999 -0.979828 -9.64093 -0.979858 -65.6425 -13.8542 -9.6409 -13.8542 -11.5502 GPRESSAVG: 2463600 7.25942 -0.774327 -7.77215 -0.165971 -66.4419 -14.1873 -12.2622 -13.5004 -11.4004 TIMING: 2463600 CPU: 7860.11, 0.0031599/step Wall: 7860.11, 0.0031599/step, 2.22633 hours remaining, 241.375000 MB of memory in use. ENERGY: 2463600 4036.7428 20328.7458 14473.2971 235.3053 -203435.2098 2531.6681 0.0000 0.0000 52178.3352 -109651.1154 299.8696 -161829.4506 -109279.4500 298.7954 35.7009 65.1067 759152.7179 -23.4442 -23.5276 PRESSURE: 2463800 -159.21 134.832 -16.7128 134.831 -473.649 -12.4896 -16.7124 -12.4891 -183.442 GPRESSURE: 2463800 -107.327 178.477 -116.715 3.94608 -459.42 -114.145 -21.0961 -34.5237 -148.911 PRESSAVG: 2463800 51.8508 -15.4083 -8.0776 -15.4083 -61.3743 -42.3119 -8.07758 -42.3119 21.2142 GPRESSAVG: 2463800 52.8838 -13.0667 -9.47306 -15.2414 -61.7394 -41.5566 -6.26732 -41.9257 20.285 TIMING: 2463800 CPU: 7860.74, 0.00315453/step Wall: 7860.74, 0.00315453/step, 2.22237 hours remaining, 241.375000 MB of memory in use. ENERGY: 2463800 4001.0256 20386.1197 14499.9659 244.2519 -203081.4336 2193.3681 0.0000 0.0000 51800.7807 -109955.9218 297.6998 -161756.7024 -109596.2243 298.2876 -272.1002 -238.5527 760107.7491 3.8969 3.8098 PRESSURE: 2464000 -184.472 6.22899 31.9269 6.22903 -59.2206 -10.2901 31.9264 -10.2893 -178.476 GPRESSURE: 2464000 -217.823 90.292 53.8363 -8.47721 -10.3765 -115.616 27.4227 100.278 -120.699 PRESSAVG: 2464000 11.5626 -19.3178 -10.2157 -19.3178 8.89531 4.63617 -10.2158 4.63614 -8.46385 GPRESSAVG: 2464000 9.74452 -20.5818 -10.2963 -21.0444 8.56578 4.22647 -11.5284 6.42095 -6.76045 TIMING: 2464000 CPU: 7861.37, 0.0031483/step Wall: 7861.37, 0.0031483/step, 2.2178 hours remaining, 241.375000 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: 2464000 4035.6609 20443.4893 14451.8899 241.8011 -203514.1397 2604.3985 0.0000 0.0000 51942.6537 -109794.2463 298.5151 -161736.9000 -109441.6847 297.9830 -140.7229 -116.2996 762052.0893 3.9980 3.8499 PRESSURE: 2464200 -12.3766 -168.672 -129.011 -168.672 -368.003 262.546 -129.011 262.546 189.976 GPRESSURE: 2464200 -1.04022 -86.3796 -140.296 -253.07 -246.421 267.123 -71.6833 225.993 158.5 PRESSAVG: 2464200 62.8858 -66.8223 -54.688 -66.8223 -17.7635 24.2475 -54.688 24.2475 26.6569 GPRESSAVG: 2464200 63.613 -65.9153 -54.3038 -68.4182 -17.4869 24.6431 -52.374 23.6651 25.6142 TIMING: 2464200 CPU: 7862, 0.00315361/step Wall: 7862, 0.00315361/step, 2.22137 hours remaining, 241.375000 MB of memory in use. ENERGY: 2464200 3946.6139 20666.6402 14446.0216 245.7669 -203420.1762 2617.1294 0.0000 0.0000 51762.8284 -109735.1758 297.4817 -161498.0042 -109385.0973 298.6443 -63.4679 -29.6537 761841.4951 23.9264 23.9134 LDB: ============= START OF LOAD BALANCING ============== 7874.45 LDB: ============== END OF LOAD BALANCING =============== 7874.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7874.45 LDB: ============= START OF LOAD BALANCING ============== 7874.77 LDB: Largest compute 7026 load 0.036121 is 18.5% of average load 0.195324 LDB: Average compute 0.004383 is 2.2% of average load 0.195324 LDB: TIME 7874.77 LOAD: AVG 0.195324 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.59 MB LDB: TIME 7874.77 LOAD: AVG 0.195324 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.793 MB LDB: TIME 7874.77 LOAD: AVG 0.195324 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.793 MB LDB: ============== END OF LOAD BALANCING =============== 7874.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7874.78 PRESSURE: 2464400 -267.983 -72.9234 100.234 -72.9236 89.9369 11.3446 100.234 11.3435 -253.111 GPRESSURE: 2464400 -157.403 -83.0841 144.193 -22.1586 88.9785 -11.7347 78.0405 43.9409 -280.576 PRESSAVG: 2464400 12.0764 -119.201 2.91723 -119.201 -35.9961 71.8706 2.91726 71.8705 -1.22541 GPRESSAVG: 2464400 12.3274 -121.318 3.88721 -116.846 -36.1024 70.8533 -0.74214 70.2561 -1.42986 TIMING: 2464400 CPU: 7862.64, 0.00321745/step Wall: 7862.64, 0.00321745/step, 2.26616 hours remaining, 240.093750 MB of memory in use. ENERGY: 2464400 4001.3608 20480.9631 14504.4852 259.7505 -203332.2261 2438.1668 0.0000 0.0000 51953.9560 -109693.5437 298.5801 -161647.4997 -109334.9015 298.5798 -143.7190 -116.3336 759753.4090 -8.3817 -8.4016 PRESSURE: 2464600 178.112 -73.1781 185.685 -73.1776 -40.1425 53.2964 185.685 53.2964 -71.5062 GPRESSURE: 2464600 183.445 -89.3679 131.63 -74.9259 -36.6046 27.8969 232.935 161.358 0.329023 PRESSAVG: 2464600 3.36354 10.3737 15.9508 10.3738 4.68383 -28.3125 15.9508 -28.3125 -24.3357 GPRESSAVG: 2464600 3.04761 11.8992 14.6356 8.9352 4.84825 -27.5666 18.546 -28.8127 -24.7189 TIMING: 2464600 CPU: 7863.27, 0.00315016/step Wall: 7863.27, 0.00315016/step, 2.21859 hours remaining, 240.093750 MB of memory in use. ENERGY: 2464600 3947.6977 20461.0564 14446.1769 248.8294 -203728.1548 2616.1310 0.0000 0.0000 52279.0709 -109729.1926 300.4485 -162008.2635 -109369.7461 298.4844 22.1544 49.0563 760239.8541 -5.4294 -5.6077 PRESSURE: 2464800 -56.3748 -167.495 174.584 -167.494 33.7555 -45.9385 174.585 -45.9373 -253.68 GPRESSURE: 2464800 -55.7189 -111.75 141.684 -94.3949 120.779 -105.011 230.228 -2.3004 -266.309 PRESSAVG: 2464800 43.1573 -64.5903 22.4684 -64.5903 24.2904 15.852 22.4684 15.852 23.3447 GPRESSAVG: 2464800 42.9686 -65.3128 21.56 -65.4387 24.417 13.9935 20.6513 17.357 23.8916 TIMING: 2464800 CPU: 7863.9, 0.00315077/step Wall: 7863.9, 0.00315077/step, 2.21884 hours remaining, 240.093750 MB of memory in use. ENERGY: 2464800 4009.3396 20418.8808 14510.7518 250.6007 -203560.4774 2682.7833 0.0000 0.0000 51891.6823 -109796.4389 298.2222 -161688.1212 -109438.4949 298.6078 -92.0998 -67.0828 761934.3191 30.2642 30.4257 PRESSURE: 2465000 3.96913 -106.271 92.5553 -106.271 -25.316 10.2386 92.5563 10.2384 -233.921 GPRESSURE: 2465000 46.9909 24.4974 77.9869 -212.998 51.1851 -37.1786 177.262 15.0585 -272.862 PRESSAVG: 2465000 33.595 -4.09676 -11.6894 -4.09675 -35.932 -35.651 -11.6893 -35.651 19.7872 GPRESSAVG: 2465000 33.9886 -5.59601 -9.25067 -2.00003 -36.5669 -34.893 -10.5545 -36.0553 20.3276 TIMING: 2465000 CPU: 7864.53, 0.00314235/step Wall: 7864.53, 0.00314235/step, 2.21274 hours remaining, 240.093750 MB of memory in use. ENERGY: 2465000 3934.6216 20517.3492 14516.1875 239.3527 -203533.8856 2651.5880 0.0000 0.0000 51819.7260 -109855.0606 297.8087 -161674.7866 -109488.1311 298.0715 -85.0893 -58.2287 761202.8403 5.8167 5.9164 PRESSURE: 2465200 -229.063 -68.6728 -64.7098 -68.6724 -204.572 -55.2522 -64.7086 -55.2511 -112.531 GPRESSURE: 2465200 -213.024 -82.281 -44.1752 -86.8851 -181.589 -43.201 -19.0792 -126.365 -44.982 PRESSAVG: 2465200 -20.6334 3.58448 35.3463 3.58451 21.7986 19.6786 35.3463 19.6786 10.3327 GPRESSAVG: 2465200 -21.1023 3.92463 33.9414 4.5925 21.887 20.8554 34.4695 17.2172 10.3898 TIMING: 2465200 CPU: 7865.16, 0.00314624/step Wall: 7865.16, 0.00314624/step, 2.2153 hours remaining, 240.093750 MB of memory in use. ENERGY: 2465200 3993.0935 20465.7613 14444.0183 237.9551 -202908.0299 2221.1604 0.0000 0.0000 51791.0224 -109755.0190 297.6437 -161546.0414 -109400.4054 298.0315 -182.0553 -146.5316 761538.8449 3.8326 3.7248 PRESSURE: 2465400 289.544 -31.2867 100.124 -31.2868 321.33 21.7166 100.124 21.7165 413.233 GPRESSURE: 2465400 355.128 5.26889 179.959 -33.1184 373.233 75.1924 51.8171 -13.3534 403.481 PRESSAVG: 2465400 -14.1318 40.6971 2.22786 40.6971 7.40524 -5.70159 2.22787 -5.70157 3.98164 GPRESSAVG: 2465400 -12.6828 39.2384 2.03825 40.8964 7.58939 -6.13979 3.79804 -5.81637 2.36233 TIMING: 2465400 CPU: 7865.79, 0.00315944/step Wall: 7865.79, 0.00315944/step, 2.22442 hours remaining, 240.093750 MB of memory in use. ENERGY: 2465400 3911.0827 20378.3184 14429.3698 263.7932 -203206.6536 2640.9779 0.0000 0.0000 52085.5975 -109497.5141 299.3366 -161583.1116 -109132.5171 298.5621 341.3691 377.2806 760997.4478 -0.9150 -0.9104 PRESSURE: 2465600 -324.253 44.6453 -3.56301 44.6459 -97.0949 -68.9567 -3.56255 -68.9562 95.9377 GPRESSURE: 2465600 -324.158 -7.81911 16.4278 16.0788 -56.1769 -79.579 -134.463 -37.084 142.065 PRESSAVG: 2465600 23.6925 -33.159 -3.87725 -33.159 3.46193 -3.72526 -3.87726 -3.72524 -5.44288 GPRESSAVG: 2465600 22.2677 -33.0054 -4.97834 -32.4834 3.3819 -5.94725 -3.83798 -1.13738 -3.86572 TIMING: 2465600 CPU: 7866.42, 0.00315568/step Wall: 7866.42, 0.00315568/step, 2.2216 hours remaining, 240.093750 MB of memory in use. ENERGY: 2465600 4049.3834 20379.6811 14427.5288 236.0519 -203254.7067 2454.2780 0.0000 0.0000 52294.9326 -109412.8509 300.5397 -161707.7835 -109042.8451 299.3946 -108.4701 -79.4232 760905.6108 7.2372 7.2613 PRESSURE: 2465800 -57.946 -65.6551 207.432 -65.6552 56.3051 -195.986 207.432 -195.986 -745.675 GPRESSURE: 2465800 -1.28397 56.2094 178.212 -66.2218 49.3768 -206.028 216.916 -75.3755 -724.838 PRESSAVG: 2465800 -11.1311 -20.4501 3.7073 -20.4502 24.8366 -17.2548 3.70731 -17.2547 0.674292 GPRESSAVG: 2465800 -12.5486 -19.1612 4.22025 -22.3293 26.2235 -15.526 0.59053 -19.3087 0.921305 TIMING: 2465800 CPU: 7867.06, 0.00315927/step Wall: 7867.06, 0.00315927/step, 2.22395 hours remaining, 240.093750 MB of memory in use. ENERGY: 2465800 3971.0247 20319.9049 14486.3116 236.4337 -202763.2927 2358.9100 0.0000 0.0000 51869.5268 -109521.1809 298.0949 -161390.7077 -109143.1906 298.8689 -249.1051 -225.5818 764307.9078 4.7933 4.8654 PRESSURE: 2466000 -87.7218 14.7877 -151.785 14.7884 258.267 179.035 -151.785 179.034 2.10281 GPRESSURE: 2466000 -73.0194 3.22264 -93.6718 75.4933 327.698 178.046 -126.364 206.882 0.78301 PRESSAVG: 2466000 31.1065 6.07647 43.3883 6.0764 0.188819 -60.3137 43.3882 -60.3137 16.7023 GPRESSAVG: 2466000 32.5455 5.67476 43.1108 5.35049 -1.17606 -58.7569 45.2712 -57.8991 16.4561 TIMING: 2466000 CPU: 7867.68, 0.00314409/step Wall: 7867.68, 0.00314409/step, 2.21309 hours remaining, 240.093750 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: 2466000 3928.1648 20406.9953 14495.6644 272.4079 -203507.8329 2767.7087 0.0000 0.0000 52009.5981 -109627.2936 298.8999 -161636.8917 -109267.6756 298.8198 57.5494 85.1540 763636.8233 15.9992 15.9419 PRESSURE: 2466200 -519.438 -42.6187 192.886 -42.6194 -336.934 -8.30684 192.886 -8.30651 -222.35 GPRESSURE: 2466200 -392.887 17.5843 203.583 10.4111 -346.25 -71.414 266.221 -62.5027 -245.595 PRESSAVG: 2466200 -21.7099 11.17 -13.8494 11.1701 -26.0839 23.1244 -13.8494 23.1244 4.89915 GPRESSAVG: 2466200 -21.8145 10.9329 -12.9573 12.197 -25.8228 20.4473 -13.1815 23.1678 4.60658 TIMING: 2466200 CPU: 7868.32, 0.00315754/step Wall: 7868.32, 0.00315754/step, 2.22238 hours remaining, 240.093750 MB of memory in use. ENERGY: 2466200 4018.7524 20422.7283 14507.6133 261.5666 -202597.0580 2014.2936 0.0000 0.0000 51713.1789 -109658.9249 297.1963 -161372.1037 -109303.4315 298.4507 -359.5738 -328.2441 764005.2645 -14.2982 -14.3436 PRESSURE: 2466400 167.198 -24.2986 -44.3887 -24.2987 -112.788 -123.8 -44.3882 -123.8 168.294 GPRESSURE: 2466400 212.551 -8.08656 -91.1462 63.404 -66.4672 -34.6623 -12.5933 -195.036 173.075 PRESSAVG: 2466400 4.36878 42.3992 17.5321 42.3993 46.6094 17.7854 17.5321 17.7853 5.25212 GPRESSAVG: 2466400 4.95384 44.1338 18.2677 41.4955 46.4252 19.7397 15.9402 15.9405 4.56034 TIMING: 2466400 CPU: 7868.95, 0.00315479/step Wall: 7868.95, 0.00315479/step, 2.22027 hours remaining, 240.093750 MB of memory in use. ENERGY: 2466400 4048.4561 20399.0843 14506.6910 260.5496 -203476.7463 2724.5641 0.0000 0.0000 51946.7019 -109590.6992 298.5384 -161537.4011 -109234.7825 298.6218 74.2346 106.3865 762168.3629 18.7434 18.6464 PRESSURE: 2466600 95.0837 76.4622 93.0488 76.4621 94.9163 133.483 93.0487 133.483 -47.026 GPRESSURE: 2466600 25.1716 5.04356 78.4622 38.5763 196.449 176.483 123.762 49.0069 22.5114 PRESSAVG: 2466600 22.0614 27.5193 13.715 27.5193 -28.6507 39.2138 13.715 39.2138 -3.99385 GPRESSAVG: 2466600 19.9256 25.3736 12.4511 28.3021 -27.6776 39.2574 15.5917 41.3142 -3.98663 TIMING: 2466600 CPU: 7869.58, 0.00315992/step Wall: 7869.58, 0.00315992/step, 2.2237 hours remaining, 240.093750 MB of memory in use. ENERGY: 2466600 3981.0888 20548.6448 14415.5384 265.4131 -203196.0970 2470.4410 0.0000 0.0000 52053.0476 -109461.9234 299.1496 -161514.9710 -109098.5615 298.5158 47.6580 81.3772 760764.2209 -3.5277 -3.9129 PRESSURE: 2466800 -41.1428 249.647 -103.9 249.647 -9.61904 -23.1621 -103.9 -23.1605 -374.18 GPRESSURE: 2466800 20.0973 260.221 -139.173 243.863 1.09758 -13.0506 -103.056 -5.00421 -337.976 PRESSAVG: 2466800 -4.52398 38.3624 -6.54488 38.3624 13.5582 8.14998 -6.54493 8.14995 2.09893 GPRESSAVG: 2466800 -2.52111 38.825 -7.08256 36.7096 12.3206 7.71273 -7.99392 6.68076 1.91605 TIMING: 2466800 CPU: 7870.21, 0.0031574/step Wall: 7870.21, 0.0031574/step, 2.22176 hours remaining, 240.093750 MB of memory in use. ENERGY: 2466800 3913.4879 20441.7412 14360.4168 224.6452 -203306.1396 2693.5497 0.0000 0.0000 52373.6121 -109298.6865 300.9919 -161672.2987 -108933.2025 299.3956 -141.6471 -105.5937 761710.2675 3.7111 3.9052 PRESSURE: 2467000 -643.217 -141.606 49.0926 -141.606 -96.8915 -41.712 49.0927 -41.7122 -72.9767 GPRESSURE: 2467000 -491.509 -204.259 -3.82278 -32.7228 -50.396 -17.4859 88.8401 60.2117 -155.55 PRESSAVG: 2467000 41.7897 16.3576 4.59102 16.3575 -35.2716 -11.4689 4.59102 -11.4689 9.17308 GPRESSAVG: 2467000 41.1989 16.5998 5.14098 17.1137 -34.4887 -11.3065 6.15413 -11.5606 8.82946 TIMING: 2467000 CPU: 7870.84, 0.00313532/step Wall: 7870.84, 0.00313532/step, 2.20604 hours remaining, 240.093750 MB of memory in use. ENERGY: 2467000 4017.2594 20552.4881 14471.6914 236.6773 -203153.9619 2462.7059 0.0000 0.0000 51899.3583 -109513.7814 298.2663 -161413.1396 -109153.1077 299.1374 -271.0285 -232.4850 761902.9946 5.2304 5.1799 PRESSURE: 2467200 -487.999 190.317 -45.6202 190.317 -315.624 86.3172 -45.6199 86.3183 -483.015 GPRESSURE: 2467200 -403.921 167.063 -64.3211 207.744 -331.366 -12.4124 -34.2769 162.311 -449.262 PRESSAVG: 2467200 4.76099 14.3258 7.2059 14.3259 -10.2275 4.68841 7.20596 4.68843 19.8624 GPRESSAVG: 2467200 5.3302 14.2258 6.34175 13.7314 -11.1392 3.02629 8.3618 4.07673 20.3632 TIMING: 2467200 CPU: 7871.46, 0.00313334/step Wall: 7871.46, 0.00313334/step, 2.20448 hours remaining, 240.093750 MB of memory in use. ENERGY: 2467200 4074.1789 20627.8372 14399.1237 249.2628 -203158.7476 2390.3858 0.0000 0.0000 52068.9698 -109348.9894 299.2411 -161417.9592 -108984.1706 299.3776 -428.8794 -394.8494 762684.4272 4.7986 4.8514 PRESSURE: 2467400 -280.821 -33.3983 -165.478 -33.3987 -373.725 -235.863 -165.477 -235.863 -114.883 GPRESSURE: 2467400 -213.976 -131.016 -154.496 0.449239 -328.092 -254.253 -201.732 -192.037 -122.268 PRESSAVG: 2467400 -23.4114 11.0702 32.7973 11.0702 15.1657 -14.9994 32.7973 -14.9995 -22.1148 GPRESSAVG: 2467400 -24.0157 11.1189 34.5961 12.0224 15.4664 -13.494 29.2465 -16.0635 -22.662 TIMING: 2467400 CPU: 7872.1, 0.0031653/step Wall: 7872.1, 0.0031653/step, 2.22679 hours remaining, 240.093750 MB of memory in use. ENERGY: 2467400 4044.6293 20723.1771 14417.1786 239.9980 -202971.1197 2277.2090 0.0000 0.0000 51874.1251 -109394.8025 298.1213 -161268.9276 -109046.0143 299.3751 -256.4763 -221.4452 761863.3743 -10.1202 -10.4038 PRESSURE: 2467600 144.14 204.12 252.409 204.12 119.381 13.8789 252.409 13.8784 99.5982 GPRESSURE: 2467600 197.834 215.807 182.422 173.939 90.9494 112.093 243.999 92.0704 141.969 PRESSAVG: 2467600 16.2276 68.6864 20.5677 68.6864 -55.1029 33.3296 20.5677 33.3295 8.85306 GPRESSAVG: 2467600 14.5548 66.7517 20.2473 69.8361 -54.4703 33.6298 22.4591 35.5331 9.97434 TIMING: 2467600 CPU: 7872.74, 0.00319355/step Wall: 7872.74, 0.00319355/step, 2.24649 hours remaining, 240.093750 MB of memory in use. ENERGY: 2467600 3981.7514 20545.5401 14339.8550 241.7597 -203584.9598 2733.8207 0.0000 0.0000 52144.4060 -109597.8269 299.6746 -161742.2329 -109243.5512 299.3568 121.0399 143.5841 760127.8202 -10.0074 -9.9804 PRESSURE: 2467800 370.435 -206.352 -230.002 -206.352 135.317 -43.615 -230.003 -43.6158 196.328 GPRESSURE: 2467800 376.412 -151.408 -289.056 -111.826 163.751 -42.9198 -11.5124 -194.504 237.794 PRESSAVG: 2467800 59.4336 6.02621 30.1455 6.02627 -53.4266 -5.54356 30.1456 -5.54356 8.71244 GPRESSAVG: 2467800 60.9918 9.55362 31.142 4.87235 -54.7226 -7.44866 31.6467 -6.55566 8.07033 TIMING: 2467800 CPU: 7873.37, 0.00317238/step Wall: 7873.37, 0.00317238/step, 2.23142 hours remaining, 240.093750 MB of memory in use. ENERGY: 2467800 3907.3971 20733.4875 14439.0849 257.1181 -203659.7114 2749.1481 0.0000 0.0000 52127.2083 -109446.2673 299.5758 -161573.4757 -109092.5332 299.0711 234.0269 259.3192 758944.7661 4.9065 4.7799 PRESSURE: 2468000 334.747 -11.9345 9.64002 -11.9347 147.362 -85.4966 9.6411 -85.4966 227.788 GPRESSURE: 2468000 387.126 43.9539 -78.5831 -27.9898 188.357 -51.5019 42.6493 -56.6883 210.548 PRESSAVG: 2468000 18.5974 -10.9608 -43.6256 -10.9608 14.7629 0.465646 -43.6256 0.465621 3.24043 GPRESSAVG: 2468000 19.1252 -14.4329 -46.3528 -9.30919 15.2605 1.85021 -44.0965 -0.523921 2.28079 TIMING: 2468000 CPU: 7874, 0.00316186/step Wall: 7874, 0.00316186/step, 2.22384 hours remaining, 240.093750 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: 2468000 3978.2212 20421.1021 14457.5269 261.0722 -203135.6395 2569.8637 0.0000 0.0000 51872.9633 -109574.8900 298.1146 -161447.8533 -109216.2060 299.0271 236.6322 262.0104 759418.3493 12.2002 12.2222 PRESSURE: 2468200 57.0916 -30.3689 50.1362 -30.3687 -154.83 199.197 50.1359 199.197 203.897 GPRESSURE: 2468200 132.785 -32.5403 87.0853 -4.2569 -110.499 177.801 -34.0937 60.1753 167.805 PRESSAVG: 2468200 7.28198 -56.1525 11.7797 -56.1525 -19.9579 -8.8581 11.7797 -8.8581 19.9417 GPRESSAVG: 2468200 7.40033 -54.5683 14.121 -56.4256 -20.6692 -8.05048 11.8962 -8.97866 20.0233 TIMING: 2468200 CPU: 7874.64, 0.00316664/step Wall: 7874.64, 0.00316664/step, 2.22703 hours remaining, 240.093750 MB of memory in use. ENERGY: 2468200 3994.0353 20565.6917 14488.2866 258.5006 -203217.6382 2396.6650 0.0000 0.0000 51778.8642 -109735.5949 297.5738 -161514.4591 -109377.4586 297.8036 35.3861 63.3639 760557.1846 2.4219 2.2515 LDB: ============= START OF LOAD BALANCING ============== 7887.09 LDB: ============== END OF LOAD BALANCING =============== 7887.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7887.09 LDB: ============= START OF LOAD BALANCING ============== 7887.41 LDB: Largest compute 7049 load 0.034174 is 17.5% of average load 0.195208 LDB: Average compute 0.004386 is 2.2% of average load 0.195208 LDB: TIME 7887.41 LOAD: AVG 0.195208 MAX 0.212413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.051 MB LDB: TIME 7887.41 LOAD: AVG 0.195208 MAX 0.212413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: TIME 7887.41 LOAD: AVG 0.195208 MAX 0.212413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.051 MB LDB: ============== END OF LOAD BALANCING =============== 7887.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7887.42 PRESSURE: 2468400 -3.71218 -71.6153 253.67 -71.6144 400.158 -3.05686 253.67 -3.05818 -194.012 GPRESSURE: 2468400 112.496 6.89433 217.318 32.7158 308.702 -10.7209 332.255 -109.11 -123.748 PRESSAVG: 2468400 60.1368 -18.1949 14.8523 -18.1949 -66.4681 -16.8544 14.8523 -16.8544 -12.9042 GPRESSAVG: 2468400 59.7924 -16.7684 14.0741 -18.071 -65.8511 -17.1364 14.5722 -16.5638 -12.8123 TIMING: 2468400 CPU: 7875.28, 0.00322878/step Wall: 7875.28, 0.00322878/step, 2.27055 hours remaining, 241.617188 MB of memory in use. ENERGY: 2468400 3982.1753 20494.2978 14478.3236 246.7423 -203634.1194 2838.9248 0.0000 0.0000 52037.4192 -109556.2365 299.0598 -161593.6557 -109199.7265 298.8638 67.4781 99.1499 761240.7165 -6.4118 -6.2903 PRESSURE: 2468600 89.9568 119.546 -26.4142 119.545 19.3584 -14.4304 -26.4138 -14.4294 -204.67 GPRESSURE: 2468600 42.4756 18.071 84.916 48.5089 188.691 21.6692 125.104 158.446 -239.075 PRESSAVG: 2468600 66.0774 -17.1177 62.5519 -17.1177 -23.755 -3.78308 62.5518 -3.78309 -3.78618 GPRESSAVG: 2468600 65.5852 -16.7423 63.4133 -19.2543 -22.8565 -4.56632 62.4684 -2.7066 -4.0638 TIMING: 2468600 CPU: 7875.91, 0.00316023/step Wall: 7875.91, 0.00316023/step, 2.22217 hours remaining, 241.820312 MB of memory in use. ENERGY: 2468600 4082.2729 20489.6011 14488.3674 236.1011 -203077.9862 2438.8085 0.0000 0.0000 51774.5148 -109568.3204 297.5488 -161342.8352 -109206.8579 299.0575 -31.7848 -2.6362 760818.2396 12.8454 12.8883 PRESSURE: 2468800 156.682 -61.0561 177.316 -61.0566 -231.188 182.174 177.317 182.173 127.78 GPRESSURE: 2468800 167.512 -7.69468 127.545 -112.278 -151.49 215.283 69.1209 109.217 120.947 PRESSAVG: 2468800 69.5218 -63.6698 18.9613 -63.6698 -44.6329 66.8826 18.9613 66.8826 -37.926 GPRESSAVG: 2468800 68.9057 -64.6294 17.8673 -64.0648 -44.0707 67.5728 19.1112 67.8905 -38.0548 TIMING: 2468800 CPU: 7876.54, 0.00312889/step Wall: 7876.54, 0.00312889/step, 2.19995 hours remaining, 241.820312 MB of memory in use. ENERGY: 2468800 4024.6837 20743.2629 14422.7279 254.9009 -203451.1705 2516.3874 0.0000 0.0000 51970.8828 -109518.3249 298.6774 -161489.2078 -109159.8264 298.9186 17.7577 45.6565 761419.0275 -4.3457 -4.4066 PRESSURE: 2469000 -36.2945 -120.023 -2.47242 -120.022 -215.132 -234.114 -2.47187 -234.114 79.4921 GPRESSURE: 2469000 -84.8209 -83.098 -52.1653 -139.565 -44.1651 -268.281 51.9586 -224.651 41.9507 PRESSAVG: 2469000 60.9481 -34.1087 14.5421 -34.1087 -25.4253 10.5138 14.5422 10.5138 -13.9524 GPRESSAVG: 2469000 62.3112 -32.8297 15.52 -34.983 -26.9773 8.58564 13.1808 9.15865 -14.0324 TIMING: 2469000 CPU: 7877.17, 0.00313651/step Wall: 7877.17, 0.00313651/step, 2.20514 hours remaining, 241.820312 MB of memory in use. ENERGY: 2469000 3955.2237 20602.2701 14416.5168 273.9970 -203182.5359 2419.9098 0.0000 0.0000 51944.7636 -109569.8549 298.5273 -161514.6185 -109218.1297 298.5998 -57.3115 -29.0117 762594.7474 7.1901 7.1005 PRESSURE: 2469200 80.3884 -89.237 277.402 -89.2373 72.2849 46.8291 277.402 46.8284 270.573 GPRESSURE: 2469200 25.937 -50.5783 267.272 -110.389 103.399 77.7538 311.02 70.086 362.793 PRESSAVG: 2469200 13.3545 -22.5614 2.07218 -22.5614 -5.81029 24.5274 2.07219 24.5274 -13.9904 GPRESSAVG: 2469200 12.6051 -23.9219 2.98519 -19.6613 -5.95298 25.3877 1.65345 23.5517 -13.3853 TIMING: 2469200 CPU: 7877.8, 0.00314943/step Wall: 7877.8, 0.00314943/step, 2.21405 hours remaining, 241.820312 MB of memory in use. ENERGY: 2469200 3962.5421 20603.6201 14488.8312 249.9750 -203481.1877 2614.9043 0.0000 0.0000 51824.0195 -109737.2955 297.8334 -161561.3150 -109376.3140 298.5061 141.0822 164.0430 761691.0766 -2.1487 -2.2444 PRESSURE: 2469400 146.371 58.7854 -305.219 58.7852 -149.239 -137.067 -305.22 -137.066 94.0935 GPRESSURE: 2469400 84.7138 153.711 -206.249 -23.4146 -13.5613 -85.7079 -483.878 -6.92934 95.4349 PRESSAVG: 2469400 45.0486 -10.9026 -35.5522 -10.9026 -33.1063 -7.68774 -35.5522 -7.68768 3.93364 GPRESSAVG: 2469400 44.502 -10.3811 -36.4769 -11.4548 -31.474 -8.34374 -35.8955 -6.76674 3.00974 TIMING: 2469400 CPU: 7878.43, 0.00314662/step Wall: 7878.43, 0.00314662/step, 2.2119 hours remaining, 241.820312 MB of memory in use. ENERGY: 2469400 3954.0544 20558.5435 14440.3404 243.2400 -203595.9692 2832.8281 0.0000 0.0000 51909.0627 -109657.9001 298.3221 -161566.9628 -109297.8281 298.6407 30.4082 55.5291 760734.8564 5.2920 5.3459 PRESSURE: 2469600 273.429 -11.2694 133.863 -11.2698 51.3477 62.8449 133.864 62.8458 43.6926 GPRESSURE: 2469600 318.925 -1.59463 159.423 -163.631 77.7127 42.1654 158.047 33.2068 68.6002 PRESSAVG: 2469600 10.2405 -50.2105 18.8301 -50.2105 -10.0054 9.10528 18.8301 9.10529 -8.46855 GPRESSAVG: 2469600 11.6158 -50.2441 20.7666 -50.1184 -11.8329 10.689 17.7733 7.52455 -8.03982 TIMING: 2469600 CPU: 7879.05, 0.0031293/step Wall: 7879.05, 0.0031293/step, 2.19955 hours remaining, 241.820312 MB of memory in use. ENERGY: 2469600 4027.2035 20453.1514 14468.6651 248.4169 -203678.7548 2905.0748 0.0000 0.0000 51959.9270 -109616.3161 298.6144 -161576.2431 -109258.1131 298.6971 122.8231 155.0794 760701.9859 -2.7445 -2.7523 PRESSURE: 2469800 -87.2239 -126.727 118.76 -126.727 -263.911 -137.186 118.761 -137.184 148.837 GPRESSURE: 2469800 4.03152 -104.155 136.272 -77.54 -287.567 -129.11 187.642 -129.185 156.372 PRESSAVG: 2469800 25.2717 21.1307 -28.7233 21.1307 -42.4113 14.007 -28.7233 14.007 -0.960472 GPRESSAVG: 2469800 24.9517 20.9407 -31.7903 20.5894 -42.2309 12.6644 -26.5855 15.8937 -1.00459 TIMING: 2469800 CPU: 7879.68, 0.003128/step Wall: 7879.68, 0.003128/step, 2.19846 hours remaining, 241.820312 MB of memory in use. ENERGY: 2469800 3889.4703 20556.7695 14423.4724 250.8731 -202860.7513 2323.6884 0.0000 0.0000 51866.4091 -109550.0685 298.0770 -161416.4776 -109185.6475 298.7275 -67.4326 -42.3878 762140.9872 -6.0334 -6.0946 PRESSURE: 2470000 421.511 83.3862 -169.442 83.3855 423.811 134.968 -169.443 134.968 -62.5498 GPRESSURE: 2470000 477.684 138.761 -172.685 25.9251 409.198 112.228 -280.301 162.995 -6.42333 PRESSAVG: 2470000 55.103 -7.06813 -49.8713 -7.06812 -0.874132 31.8533 -49.8713 31.8534 2.55198 GPRESSAVG: 2470000 52.8827 -6.35184 -50.2393 -7.69264 1.52463 32.6969 -50.4273 29.53 2.37593 TIMING: 2470000 CPU: 7880.3, 0.00313565/step Wall: 7880.3, 0.00313565/step, 2.20366 hours remaining, 241.820312 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: 2470000 4065.7619 20606.7566 14491.8287 247.5278 -203205.0154 2502.9111 0.0000 0.0000 51648.8753 -109641.3541 296.8268 -161290.2294 -109296.6560 298.8034 260.9241 293.4861 759920.4784 18.9270 18.9278 PRESSURE: 2470200 -187.251 82.539 22.7235 82.5399 -215.051 83.559 22.7236 83.5598 -353.884 GPRESSURE: 2470200 -199.879 159.52 -2.0601 -11.4409 -152.843 111.576 -57.5787 126.496 -307.69 PRESSAVG: 2470200 -0.0229821 17.1442 -14.731 17.1442 4.5654 20.9458 -14.7311 20.9459 12.127 GPRESSAVG: 2470200 1.0915 17.566 -13.8538 16.2436 3.05517 19.8224 -15.5531 23.6669 12.2954 TIMING: 2470200 CPU: 7880.94, 0.00315486/step Wall: 7880.94, 0.00315486/step, 2.21699 hours remaining, 241.820312 MB of memory in use. ENERGY: 2470200 3966.0967 20510.1325 14405.5618 257.1192 -203024.1516 2410.4225 0.0000 0.0000 51885.4226 -109589.3964 298.1862 -161474.8189 -109230.2827 298.3548 -252.0621 -220.1372 761511.0454 5.5565 5.4807 PRESSURE: 2470400 -114.043 113.702 228.092 113.702 -572.761 -30.8386 228.093 -30.8384 -145.933 GPRESSURE: 2470400 -21.7899 89.4256 276.964 58.4806 -539.511 22.5064 201.59 -93.0732 -179.635 PRESSAVG: 2470400 -19.001 -38.4009 -21.2611 -38.4009 4.1869 25.4508 -21.2611 25.4509 22.2677 GPRESSAVG: 2470400 -20.0999 -37.8419 -22.1623 -37.0393 4.90259 25.9842 -21.0933 23.7049 22.1378 TIMING: 2470400 CPU: 7881.56, 0.00314252/step Wall: 7881.56, 0.00314252/step, 2.20815 hours remaining, 241.820312 MB of memory in use. ENERGY: 2470400 4034.1879 20276.2240 14463.5702 250.1759 -203235.4866 2557.4181 0.0000 0.0000 51942.9470 -109710.9635 298.5168 -161653.9105 -109334.5191 298.3729 -277.5791 -246.9784 762125.2143 2.4845 2.3135 PRESSURE: 2470600 -96.8082 216.583 239.914 216.583 150.09 -39.8861 239.914 -39.8855 117.395 GPRESSURE: 2470600 -47.0064 117.047 179.757 212.219 178.401 -50.9254 116.832 -27.5523 122.169 PRESSAVG: 2470600 -23.1146 -42.2657 14.8378 -42.2657 46.6308 -35.2226 14.8379 -35.2227 -18.2351 GPRESSAVG: 2470600 -22.0768 -44.2838 16.9309 -43.333 45.7951 -35.9473 14.0362 -34.3588 -18.4368 TIMING: 2470600 CPU: 7882.19, 0.00313576/step Wall: 7882.19, 0.00313576/step, 2.20322 hours remaining, 241.820312 MB of memory in use. ENERGY: 2470600 4069.9598 20431.6157 14477.2168 254.1361 -203651.0686 2755.8461 0.0000 0.0000 51956.6424 -109705.6516 298.5955 -161662.2940 -109340.2413 298.6727 56.8921 84.5212 760133.1651 1.7603 1.7605 PRESSURE: 2470800 -53.8266 32.5192 65.1983 32.5199 -272.423 -17.4311 65.1978 -17.4312 -179.409 GPRESSURE: 2470800 -45.7532 -7.12626 76.1328 30.8181 -271.283 15.5918 -14.6433 47.8173 -122.465 PRESSAVG: 2470800 11.1696 29.8058 34.1279 29.8059 -17.9174 -60.7784 34.1279 -60.7784 -0.534605 GPRESSAVG: 2470800 11.4931 29.3164 33.0482 31.3648 -18.6256 -60.0763 34.5552 -61.1334 -0.56564 TIMING: 2470800 CPU: 7882.82, 0.00314314/step Wall: 7882.82, 0.00314314/step, 2.20823 hours remaining, 241.820312 MB of memory in use. ENERGY: 2470800 3970.4433 20575.3419 14407.0888 259.2169 -203329.6317 2477.9461 0.0000 0.0000 51919.4756 -109720.1190 298.3819 -161639.5946 -109355.6567 299.1010 -168.5529 -146.5004 762200.3972 -2.4275 -2.5660 PRESSURE: 2471000 495.125 133.473 -236.809 133.473 118.65 394.226 -236.81 394.226 60.5052 GPRESSURE: 2471000 467.086 153.561 -82.8363 36.2721 226.193 466.725 -367.43 397.405 73.1717 PRESSAVG: 2471000 -7.98689 4.43767 -3.64208 4.43765 -9.24372 42.8732 -3.64209 42.8732 -15.1894 GPRESSAVG: 2471000 -7.14161 4.85653 -2.63747 2.56238 -8.56523 42.9038 -3.76849 44.1947 -16.3217 TIMING: 2471000 CPU: 7883.45, 0.0031607/step Wall: 7883.45, 0.0031607/step, 2.22039 hours remaining, 241.820312 MB of memory in use. ENERGY: 2471000 3964.3257 20680.2343 14484.7382 252.5792 -203462.0239 2688.9049 0.0000 0.0000 51614.6721 -109776.5695 296.6302 -161391.2416 -109434.5726 298.7564 224.7602 255.4837 760900.6407 -10.8067 -10.6762 PRESSURE: 2471200 -211.924 74.1705 11.5454 74.1707 153.445 -77.3513 11.5456 -77.351 -519.66 GPRESSURE: 2471200 -144.14 91.224 30.7377 241.483 151.322 -13.9958 43.7124 -107.075 -516.849 PRESSAVG: 2471200 19.42 8.72759 -16.6384 8.72755 23.8594 68.5876 -16.6384 68.5877 1.81644 GPRESSAVG: 2471200 18.7884 10.1079 -17.8739 9.21691 23.7906 68.6433 -13.8613 68.6322 1.90697 TIMING: 2471200 CPU: 7884.08, 0.00315085/step Wall: 7884.08, 0.00315085/step, 2.2133 hours remaining, 241.820312 MB of memory in use. ENERGY: 2471200 4054.8463 20572.9975 14478.8230 259.9366 -203366.5159 2527.3575 0.0000 0.0000 51714.7872 -109757.7678 297.2056 -161472.5549 -109393.7977 299.2171 -192.7132 -169.8890 761314.6390 15.0319 14.8287 PRESSURE: 2471400 -74.8219 28.7534 86.3853 28.7535 132.369 -113.961 86.385 -113.962 -337.175 GPRESSURE: 2471400 -32.0269 141.037 37.1426 61.3242 101.249 -118.033 97.8013 -87.1824 -259.136 PRESSAVG: 2471400 6.3213 -8.46246 48.0551 -8.46245 -1.41438 40.981 48.0551 40.9809 14.5872 GPRESSAVG: 2471400 4.95188 -9.36507 48.5375 -6.81526 -1.17644 40.4249 46.7947 40.8819 15.6508 TIMING: 2471400 CPU: 7884.71, 0.00316023/step Wall: 7884.71, 0.00316023/step, 2.21971 hours remaining, 241.820312 MB of memory in use. ENERGY: 2471400 4002.9987 20659.3437 14475.7853 269.1706 -203686.6944 2712.4672 0.0000 0.0000 51701.4628 -109865.4660 297.1290 -161566.9288 -109517.7286 298.6809 -93.2095 -63.3046 760818.2064 6.4980 6.4754 PRESSURE: 2471600 -124.779 160.559 -3.9624 160.559 -195.29 3.14955 -3.96305 3.14972 20.439 GPRESSURE: 2471600 -110.675 149.036 78.1795 8.72032 -112.713 -72.6442 118.958 42.2775 -6.11052 PRESSAVG: 2471600 -75.9766 -39.2021 15.0097 -39.2021 87.2449 -3.32693 15.0097 -3.32701 12.0793 GPRESSAVG: 2471600 -74.0657 -39.4222 14.2032 -38.2447 86.8459 -3.12551 15.5574 -3.92652 11.1281 TIMING: 2471600 CPU: 7885.35, 0.00316302/step Wall: 7885.35, 0.00316302/step, 2.22149 hours remaining, 241.820312 MB of memory in use. ENERGY: 2471600 4006.2365 20519.7707 14469.3697 245.6904 -203756.2611 2777.1731 0.0000 0.0000 51969.1688 -109768.8521 298.6675 -161738.0208 -109402.6611 298.4228 -99.8767 -76.4996 760457.4041 7.7825 7.9694 PRESSURE: 2471800 15.5254 -0.410529 40.4362 -0.40956 -127.564 296.307 40.4364 296.307 -579.265 GPRESSURE: 2471800 15.3354 84.9672 -0.0245053 -47.6589 -28.2724 313.183 41.1351 223.403 -597.533 PRESSAVG: 2471800 16.6484 -22.1534 23.5648 -22.1534 55.654 31.6698 23.5648 31.6698 17.6547 GPRESSAVG: 2471800 16.875 -21.2817 23.222 -25.0798 55.2211 31.1853 23.0854 30.0954 18.3949 TIMING: 2471800 CPU: 7885.98, 0.0031519/step Wall: 7885.98, 0.0031519/step, 2.21351 hours remaining, 241.820312 MB of memory in use. ENERGY: 2471800 4019.3996 20456.8398 14491.0480 247.6344 -203498.9804 2493.2725 0.0000 0.0000 51908.0541 -109882.7320 298.3163 -161790.7861 -109519.3241 298.8155 -230.4345 -203.4901 760299.3222 29.9857 30.1637 PRESSURE: 2472000 135.728 74.9332 185.46 74.9333 -186.03 151.202 185.46 151.202 -86.7397 GPRESSURE: 2472000 125.939 93.7566 169.163 136.16 -163.791 140.762 136.288 148.042 -35.4113 PRESSAVG: 2472000 49.3376 58.1628 1.15069 58.1628 -55.4878 36.7648 1.15069 36.7648 -14.187 GPRESSAVG: 2472000 49.3488 58.9133 1.61016 60.3031 -56.9311 37.0607 0.838882 38.9026 -13.2489 TIMING: 2472000 CPU: 7886.61, 0.00318262/step Wall: 7886.61, 0.00318262/step, 2.23491 hours remaining, 241.820312 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: 2472000 3971.8548 20607.8421 14542.7788 234.7423 -203599.4531 2518.7788 0.0000 0.0000 51719.2987 -110004.1575 297.2315 -161723.4562 -109642.0360 298.0096 -45.6806 -24.4210 760884.0043 -6.7791 -6.9438 PRESSURE: 2472200 -72.6266 44.2334 -81.3877 44.2335 38.1568 -7.43017 -81.3881 -7.42986 -484.086 GPRESSURE: 2472200 -36.852 27.4206 -29.1224 -5.25772 -39.659 -0.675561 -69.4022 5.95239 -368.112 PRESSAVG: 2472200 55.8047 31.1356 24.163 31.1356 -41.3034 110.713 24.163 110.713 -10.8164 GPRESSAVG: 2472200 55.9117 31.0571 25.3499 29.4809 -39.8989 111.561 23.0151 109.599 -12.0208 TIMING: 2472200 CPU: 7887.25, 0.00316002/step Wall: 7887.25, 0.00316002/step, 2.21886 hours remaining, 241.820312 MB of memory in use. ENERGY: 2472200 3979.5024 20501.4663 14512.9391 252.8636 -203371.1561 2411.1118 0.0000 0.0000 51846.1831 -109867.0897 297.9607 -161713.2728 -109496.8383 297.8353 -172.8519 -148.2078 760290.6816 1.2283 1.3307 LDB: ============= START OF LOAD BALANCING ============== 7899.7 LDB: ============== END OF LOAD BALANCING =============== 7899.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7899.7 LDB: ============= START OF LOAD BALANCING ============== 7900.02 LDB: Largest compute 7057 load 0.035371 is 18.1% of average load 0.195144 LDB: Average compute 0.004386 is 2.2% of average load 0.195144 LDB: TIME 7900.02 LOAD: AVG 0.195144 MAX 0.212435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 7900.02 LOAD: AVG 0.195144 MAX 0.212435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.219 MB LDB: TIME 7900.02 LOAD: AVG 0.195144 MAX 0.212435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.219 MB LDB: ============== END OF LOAD BALANCING =============== 7900.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7900.03 PRESSURE: 2472400 -77.0345 -30.8766 -173.284 -30.8758 -191.6 17.8625 -173.283 17.8623 -288.367 GPRESSURE: 2472400 -49.9925 -41.6637 -181.012 67.6018 -147.762 16.9126 -113.676 -13.5279 -283.618 PRESSAVG: 2472400 7.71162 -26.5828 -48.0142 -26.5828 4.5642 38.3341 -48.0141 38.3341 -22.5311 GPRESSAVG: 2472400 7.36293 -25.127 -49.3381 -27.1479 4.23155 38.4384 -46.4728 38.7876 -21.5623 TIMING: 2472400 CPU: 7887.89, 0.00322719/step Wall: 7887.89, 0.00322719/step, 2.26585 hours remaining, 239.457031 MB of memory in use. ENERGY: 2472400 4022.5051 20456.2980 14464.3262 258.5786 -203389.5902 2608.7044 0.0000 0.0000 51907.7658 -109671.4123 298.3146 -161579.1780 -109309.8160 298.8229 -185.6673 -160.4575 760705.9084 -3.4184 -3.3226 PRESSURE: 2472600 -73.4244 118.569 93.5212 118.569 -274.889 17.8972 93.5216 17.8987 -6.69326 GPRESSURE: 2472600 -112.945 84.7882 86.9802 229.522 -217.561 -56.7481 61.4874 65.4771 66.8231 PRESSAVG: 2472600 -43.264 -38.3822 -1.16719 -38.3822 5.93023 -87.1397 -1.16718 -87.1397 -8.95348 GPRESSAVG: 2472600 -42.8865 -42.3652 -0.261912 -36.0133 7.16995 -88.2363 -2.46387 -87.33 -10.5745 TIMING: 2472600 CPU: 7888.52, 0.00316828/step Wall: 7888.52, 0.00316828/step, 2.22431 hours remaining, 239.457031 MB of memory in use. ENERGY: 2472600 3998.0955 20386.8394 14441.5611 260.6686 -203032.9721 2260.3827 0.0000 0.0000 51807.7753 -109877.6495 297.7400 -161685.4249 -109510.6304 298.1610 -118.3354 -87.8943 761734.5110 -15.4291 -15.4303 PRESSURE: 2472800 -40.312 179.51 -50.9171 179.509 -323.938 98.3412 -50.9172 98.3406 -671.042 GPRESSURE: 2472800 17.8341 166.775 -1.71716 37.5309 -428.707 129.417 77.4016 282.753 -527.256 PRESSAVG: 2472800 37.0315 31.3901 33.83 31.39 -77.0851 43.4424 33.83 43.4424 -20.1169 GPRESSAVG: 2472800 38.0505 32.0097 32.6621 29.1013 -79.0382 45.1987 35.5991 42.6257 -19.0885 TIMING: 2472800 CPU: 7889.15, 0.00314065/step Wall: 7889.15, 0.00314065/step, 2.20474 hours remaining, 239.457031 MB of memory in use. ENERGY: 2472800 4053.0250 20706.5666 14481.2085 230.6370 -203353.7254 2296.5784 0.0000 0.0000 51703.8574 -109881.8526 297.1428 -161585.7101 -109532.1961 298.1865 -345.0973 -312.7096 761217.0379 -20.0568 -20.0254 PRESSURE: 2473000 126.213 -231.894 35.8499 -231.894 33.6721 -15.6436 35.8498 -15.6447 -93.6087 GPRESSURE: 2473000 208.425 -156.48 95.3771 -113.36 42.567 -105.879 122.16 39.037 -82.4361 PRESSAVG: 2473000 36.2232 -29.1563 -15.0749 -29.1563 -37.952 -2.15596 -15.0749 -2.15599 -26.3202 GPRESSAVG: 2473000 36.0554 -30.3958 -14.4366 -26.5832 -36.7764 -2.26206 -15.8377 -0.583192 -26.9632 TIMING: 2473000 CPU: 7889.78, 0.00313454/step Wall: 7889.78, 0.00313454/step, 2.20027 hours remaining, 239.457031 MB of memory in use. ENERGY: 2473000 3900.0829 20521.4359 14474.2995 240.8001 -203241.1333 2332.7355 0.0000 0.0000 52012.2769 -109759.5024 298.9153 -161771.7792 -109393.3822 298.7305 22.0923 56.1853 758152.8603 -9.3497 -9.2281 PRESSURE: 2473200 281.298 83.2319 -83.2843 83.2316 -94.2871 56.3994 -83.2843 56.3994 28.2934 GPRESSURE: 2473200 268.364 70.8791 -79.5064 -6.33208 2.56055 -5.23033 -189.062 88.3871 23.3176 PRESSAVG: 2473200 7.66367 -10.4002 -3.81951 -10.4003 -12.2953 -9.93205 -3.81946 -9.93213 29.521 GPRESSAVG: 2473200 6.13778 -9.18182 -3.50938 -11.6499 -10.6383 -9.99744 -4.77383 -13.309 29.3901 TIMING: 2473200 CPU: 7890.41, 0.00314949/step Wall: 7890.41, 0.00314949/step, 2.21059 hours remaining, 239.457031 MB of memory in use. ENERGY: 2473200 4043.4648 20433.9136 14477.3582 264.2707 -203396.4745 2593.1856 0.0000 0.0000 51888.8803 -109695.4012 298.2061 -161584.2815 -109330.5007 298.3709 71.7682 98.0808 759964.0640 8.2965 8.2966 PRESSURE: 2473400 -78.2158 -145.301 34.6428 -145.301 142.465 6.60428 34.6441 6.60301 409.02 GPRESSURE: 2473400 -81.7302 -155.026 13.5713 -108.664 204.919 -15.3295 -18.9901 30.2596 443.742 PRESSAVG: 2473400 26.1077 24.6567 -31.1612 24.6567 7.87029 -15.2905 -31.1612 -15.2904 -14.4446 GPRESSAVG: 2473400 25.7361 24.1694 -30.825 26.7305 7.60865 -16.1505 -30.1169 -14.0992 -13.5576 TIMING: 2473400 CPU: 7891.04, 0.00314669/step Wall: 7891.04, 0.00314669/step, 2.20845 hours remaining, 239.457031 MB of memory in use. ENERGY: 2473400 4012.6314 20553.6769 14458.8535 238.6335 -203661.9343 3150.6620 0.0000 0.0000 51780.1368 -109467.3402 297.5812 -161247.4770 -109122.5844 298.5316 157.7564 188.9769 762302.8117 6.5111 6.5957 PRESSURE: 2473600 410.378 -16.2587 55.9116 -16.2583 261.794 63.6366 55.9125 63.6373 88.0676 GPRESSURE: 2473600 404.535 -70.4519 43.7509 -16.1724 284.51 -33.3186 123.946 149.182 157.65 PRESSAVG: 2473600 36.3896 -15.5331 -24.6524 -15.533 -46.3913 -18.3999 -24.6524 -18.4 6.49417 GPRESSAVG: 2473600 35.4958 -14.0721 -25.658 -16.2321 -46.1461 -18.461 -25.9436 -16.8265 7.93006 TIMING: 2473600 CPU: 7891.67, 0.00314333/step Wall: 7891.67, 0.00314333/step, 2.20592 hours remaining, 239.457031 MB of memory in use. ENERGY: 2473600 3906.0468 20470.3195 14469.4347 264.5469 -203369.5626 2821.0381 0.0000 0.0000 52159.7175 -109278.4591 299.7626 -161438.1766 -108917.1365 299.6967 253.4131 282.2319 760866.5698 -1.1692 -0.9067 PRESSURE: 2473800 -61.6206 38.9358 61.9631 38.9352 -510.669 -20.7947 61.9633 -20.7938 -295.88 GPRESSURE: 2473800 -46.3975 30.4354 82.826 66.3974 -380.947 39.9143 -0.0944968 -54.7602 -336.605 PRESSAVG: 2473800 16.258 12.4003 5.64465 12.4003 -3.86866 29.8203 5.6446 29.8203 -11.8733 GPRESSAVG: 2473800 19.0145 12.3222 5.66599 10.783 -4.44225 31.417 6.51801 28.9559 -14.1696 TIMING: 2473800 CPU: 7892.29, 0.00313839/step Wall: 7892.29, 0.00313839/step, 2.20228 hours remaining, 239.457031 MB of memory in use. ENERGY: 2473800 4004.2502 20536.3417 14472.0294 261.7652 -203231.6546 2562.2219 0.0000 0.0000 52129.9591 -109265.0870 299.5916 -161395.0461 -108901.0784 299.8846 -289.3900 -254.6498 762384.1495 0.1720 0.1342 PRESSURE: 2474000 -218.154 138.201 88.951 138.2 -26.9831 -33.6944 88.9503 -33.693 -448.973 GPRESSURE: 2474000 -134.528 28.5238 19.6654 96.4431 -68.7914 118.285 -78.1443 -130.472 -412.183 PRESSAVG: 2474000 33.9661 -20.4482 19.3573 -20.4481 -56.0892 12.5026 19.3573 12.5027 7.27781 GPRESSAVG: 2474000 32.4022 -21.0608 18.6009 -19.8049 -55.5202 10.8325 18.1471 11.8375 7.46909 TIMING: 2474000 CPU: 7892.92, 0.00312592/step Wall: 7892.92, 0.00312592/step, 2.19335 hours remaining, 239.457031 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: 2474000 3923.5046 20524.2963 14451.7572 265.4298 -203262.0157 2523.6458 0.0000 0.0000 52121.6331 -109451.7489 299.5437 -161573.3820 -109089.9743 299.5485 -231.3699 -205.1673 762090.9633 -4.9484 -5.2163 PRESSURE: 2474200 264.364 -56.1609 -87.2677 -56.1614 135.729 -81.8748 -87.268 -81.8744 -47.0971 GPRESSURE: 2474200 249.267 -61.7405 -158.919 -7.29309 204.84 -23.9483 21.4023 -13.8414 -14.2539 PRESSAVG: 2474200 64.3904 15.4996 -62.964 15.4996 -73.9441 -35.6092 -62.964 -35.6092 0.325352 GPRESSAVG: 2474200 64.7997 16.1812 -62.5569 16.3337 -74.1801 -33.9348 -62.6477 -35.4945 -0.256338 TIMING: 2474200 CPU: 7893.55, 0.0031475/step Wall: 7893.55, 0.0031475/step, 2.20832 hours remaining, 239.457031 MB of memory in use. ENERGY: 2474200 3973.5111 20548.4518 14415.6853 260.2236 -203451.3632 2724.7786 0.0000 0.0000 52216.4030 -109312.3097 300.0884 -161528.7128 -108951.8153 299.9921 117.6655 146.6178 760097.0138 -3.0761 -3.2122 PRESSURE: 2474400 -87.0984 -147.347 15.7284 -147.348 -203.182 -80.1187 15.7278 -80.1185 -246.967 GPRESSURE: 2474400 -89.1642 -198.456 -48.3014 -76.2704 -176.951 -184.136 46.545 15.7321 -200.669 PRESSAVG: 2474400 13.2158 6.49314 8.9121 6.49309 -16.7363 17.6756 8.91211 17.6755 -22.0768 GPRESSAVG: 2474400 12.6774 5.94089 9.91911 6.74604 -16.2343 16.2289 8.61262 18.2153 -21.8308 TIMING: 2474400 CPU: 7894.18, 0.00315037/step Wall: 7894.18, 0.00315037/step, 2.21016 hours remaining, 239.457031 MB of memory in use. ENERGY: 2474400 3970.6847 20338.8212 14469.9882 262.9229 -202754.8059 2370.2345 0.0000 0.0000 51925.0350 -109417.1195 298.4139 -161342.1546 -109052.7741 299.5481 -179.0823 -155.5949 762833.2447 -8.5324 -8.4626 PRESSURE: 2474600 253.511 63.1508 23.8735 63.1504 208.405 42.5917 23.8739 42.5912 -324.747 GPRESSURE: 2474600 301.288 -39.6506 41.7987 84.3603 252.49 8.418 2.22606 135.838 -351.61 PRESSAVG: 2474600 1.05796 -25.6251 -18.3056 -25.6251 3.16021 11.7411 -18.3056 11.7411 -5.16991 GPRESSAVG: 2474600 0.954347 -23.4687 -18.2716 -28.0845 2.67797 10.958 -16.4627 14.4011 -4.7166 TIMING: 2474600 CPU: 7894.81, 0.00312992/step Wall: 7894.81, 0.00312992/step, 2.19564 hours remaining, 239.457031 MB of memory in use. ENERGY: 2474600 3993.0350 20462.1009 14436.2153 233.5606 -203464.6632 2667.2279 0.0000 0.0000 52299.6906 -109372.8330 300.5670 -161672.5236 -109004.9847 299.0139 45.7229 67.3897 760295.9730 -0.3172 -0.3614 PRESSURE: 2474800 -267.072 11.7875 -397.528 11.7873 -5.99119 -168.037 -397.527 -168.037 -64.6349 GPRESSURE: 2474800 -204.313 -43.9615 -348.142 156.063 35.2494 -69.653 -246.558 -217.268 -75.423 PRESSAVG: 2474800 18.3535 -19.25 -49.0966 -19.25 -32.7045 -16.9106 -49.0967 -16.9107 0.700453 GPRESSAVG: 2474800 19.0787 -20.7047 -48.9334 -17.6918 -33.0651 -14.7131 -50.634 -19.5226 0.944419 TIMING: 2474800 CPU: 7895.43, 0.00312921/step Wall: 7895.43, 0.00312921/step, 2.19496 hours remaining, 239.457031 MB of memory in use. ENERGY: 2474800 3954.8034 20554.6934 14455.7799 238.1694 -203426.3517 2618.8059 0.0000 0.0000 52051.2524 -109552.8474 299.1393 -161604.0997 -109184.4292 299.0895 -112.5661 -81.4957 761867.9168 -4.5502 -4.3473 PRESSURE: 2475000 -95.5756 103.332 -80.7314 103.332 -220.112 132.763 -80.7315 132.763 -93.1831 GPRESSURE: 2475000 -61.65 100.254 -66.6443 7.10277 -239.954 238.449 -86.9006 -17.0126 -29.7766 PRESSAVG: 2475000 -8.07924 -27.859 -48.7291 -27.859 -22.2282 12.8197 -48.729 12.8198 7.22899 GPRESSAVG: 2475000 -8.22483 -29.7927 -49.0497 -28.471 -21.9537 13.2794 -46.8659 13.8109 7.68335 TIMING: 2475000 CPU: 7896.06, 0.00313331/step Wall: 7896.06, 0.00313331/step, 2.19767 hours remaining, 239.457031 MB of memory in use. ENERGY: 2475000 4006.0545 20426.8381 14433.3588 244.7023 -203497.4495 2589.5226 0.0000 0.0000 51931.1786 -109865.7945 298.4492 -161796.9731 -109505.9273 298.8143 -136.2902 -110.4603 761636.4391 -7.6928 -7.4984 PRESSURE: 2475200 452.185 -48.6228 117.884 -48.6224 44.6968 84.3254 117.884 84.3256 417.6 GPRESSURE: 2475200 391.013 -20.0452 80.3237 -77.8923 174.324 259.169 145.367 61.4664 420.253 PRESSAVG: 2475200 27.9388 -15.2909 -77.2974 -15.2909 -0.596788 27.3627 -77.2974 27.3626 21.221 GPRESSAVG: 2475200 28.1332 -13.2312 -76.8997 -17.2727 -0.603919 26.7316 -79.3863 29.2809 20.2677 TIMING: 2475200 CPU: 7896.68, 0.00311937/step Wall: 7896.68, 0.00311937/step, 2.18772 hours remaining, 239.457031 MB of memory in use. ENERGY: 2475200 3921.4432 20376.0327 14498.7010 246.0070 -204346.5958 3117.8256 0.0000 0.0000 52273.2749 -109913.3114 300.4152 -162186.5863 -109546.2685 298.6377 304.8274 328.5304 759670.4393 16.1877 15.9323 PRESSURE: 2475400 36.0577 179.086 10.6091 179.086 41.0799 -9.0959 10.6086 -9.09736 -102.315 GPRESSURE: 2475400 120.382 260.773 -25.7765 247.22 30.5946 -72.3957 6.6445 -46.1285 -87.7845 PRESSAVG: 2475400 17.2602 -33.6791 15.5068 -33.6791 -14.7609 53.6406 15.5068 53.6406 19.688 GPRESSAVG: 2475400 16.41 -33.4207 12.7874 -29.6328 -13.8882 53.3033 14.689 50.5175 20.2749 TIMING: 2475400 CPU: 7897.31, 0.00314684/step Wall: 7897.31, 0.00314684/step, 2.20681 hours remaining, 239.457031 MB of memory in use. ENERGY: 2475400 3992.5366 20390.7925 14483.9446 247.6181 -203658.3401 2668.7117 0.0000 0.0000 52035.5549 -109839.1817 299.0490 -161874.7366 -109480.3405 298.5824 -8.3926 21.0641 761834.5049 7.3957 7.5989 PRESSURE: 2475600 90.4656 84.111 226.02 84.1113 -269.895 406.308 226.02 406.307 -99.2585 GPRESSURE: 2475600 86.9364 64.0074 156.187 20.0781 -202.996 405.246 328.21 337.226 -97.7007 PRESSAVG: 2475600 54.0976 -22.3969 -59.0817 -22.3969 -45.8355 13.7905 -59.0817 13.7906 -18.2952 GPRESSAVG: 2475600 54.6236 -24.7904 -56.5391 -23.237 -46.9798 13.5232 -56.7903 14.5945 -17.8805 TIMING: 2475600 CPU: 7897.94, 0.00314729/step Wall: 7897.94, 0.00314729/step, 2.20695 hours remaining, 239.457031 MB of memory in use. ENERGY: 2475600 4024.8244 20624.6852 14484.0491 251.7408 -203778.7366 2855.8811 0.0000 0.0000 51820.3551 -109717.2009 297.8123 -161537.5560 -109366.4971 298.2187 -92.8958 -71.2533 763222.5990 -3.3444 -3.4122 PRESSURE: 2475800 60.8649 51.0457 -29.4336 51.0465 -204.962 -212.08 -29.4338 -212.081 235.819 GPRESSURE: 2475800 -29.1672 -31.1755 16.2901 58.9859 -68.8689 -135.094 2.66972 -180.405 256.843 PRESSAVG: 2475800 -12.6536 33.2766 -9.73489 33.2766 39.6861 31.4448 -9.73491 31.4448 -5.5917 GPRESSAVG: 2475800 -13.1389 32.3323 -8.88887 33.9259 39.7428 30.737 -11.4754 32.7696 -5.83481 TIMING: 2475800 CPU: 7898.57, 0.00315797/step Wall: 7898.57, 0.00315797/step, 2.21427 hours remaining, 239.457031 MB of memory in use. ENERGY: 2475800 3969.9064 20673.1417 14414.6777 256.1085 -203714.1743 2699.3997 0.0000 0.0000 52131.4168 -109569.5235 299.6000 -161700.9403 -109209.7372 299.0321 30.5739 52.9357 761230.8264 7.1469 6.9230 PRESSURE: 2476000 -94.5752 -47.3908 -167.461 -47.3898 -290.373 51.6136 -167.461 51.6143 -208.445 GPRESSURE: 2476000 -39.2258 -16.6891 -212.633 -50.3442 -240.712 34.3512 -86.3251 136.138 -250.461 PRESSAVG: 2476000 44.4749 -0.610611 -29.8606 -0.610657 -20.8183 49.2017 -29.8605 49.2017 -7.24961 GPRESSAVG: 2476000 44.0621 -0.2544 -30.7731 -1.61152 -19.1759 50.2175 -28.301 48.3837 -8.07873 TIMING: 2476000 CPU: 7899.2, 0.0031463/step Wall: 7899.2, 0.0031463/step, 2.2059 hours remaining, 239.457031 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: 2476000 4022.9915 20690.4271 14386.7431 244.2993 -203127.6041 2354.0273 0.0000 0.0000 52026.3975 -109402.7183 298.9964 -161429.1158 -109049.9528 299.2999 -197.7978 -176.7998 762974.6231 5.4690 5.6025 PRESSURE: 2476200 -116.312 -44.6356 -104.39 -44.6365 -462.096 53.814 -104.391 53.814 83.6609 GPRESSURE: 2476200 -55.3028 -193.31 -120.665 65.5568 -470.169 118.085 -25.7082 -192.856 110.763 PRESSAVG: 2476200 9.86683 -23.5044 -19.3704 -23.5043 -13.4429 16.6637 -19.3704 16.6636 7.3114 GPRESSAVG: 2476200 10.998 -19.2304 -20.0845 -26.8859 -14.4167 16.2617 -19.2078 15.8514 7.77226 TIMING: 2476200 CPU: 7899.83, 0.00315941/step Wall: 7899.83, 0.00315941/step, 2.21492 hours remaining, 239.457031 MB of memory in use. ENERGY: 2476200 3983.6623 20533.2678 14481.7058 255.7314 -203375.6898 2546.2939 0.0000 0.0000 52267.2732 -109307.7554 300.3807 -161575.0285 -108944.5929 299.5845 -164.9157 -138.2362 761391.7155 1.2451 1.4512 LDB: ============= START OF LOAD BALANCING ============== 7912.28 LDB: ============== END OF LOAD BALANCING =============== 7912.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7912.29 LDB: ============= START OF LOAD BALANCING ============== 7912.6 LDB: Largest compute 7044 load 0.036465 is 18.7% of average load 0.195237 LDB: Average compute 0.004357 is 2.2% of average load 0.195237 LDB: TIME 7912.61 LOAD: AVG 0.195237 MAX 0.213698 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.738 MB LDB: TIME 7912.61 LOAD: AVG 0.195237 MAX 0.213698 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.945 MB LDB: TIME 7912.61 LOAD: AVG 0.195237 MAX 0.213698 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.945 MB LDB: ============== END OF LOAD BALANCING =============== 7912.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7912.61 PRESSURE: 2476400 -234.564 148.931 96.1275 148.931 -20.0067 34.5241 96.1274 34.5245 -105.081 GPRESSURE: 2476400 -141.264 115.788 52.3802 9.27864 -28.1606 -11.6991 -5.42957 89.4944 -111.861 PRESSAVG: 2476400 0.323674 -16.1833 -34.1434 -16.1834 -47.0161 39.9341 -34.1433 39.9341 -12.4729 GPRESSAVG: 2476400 -0.274491 -19.7499 -33.0579 -14.5662 -47.6 39.1434 -35.1546 39.8584 -11.5348 TIMING: 2476400 CPU: 7900.48, 0.00321573/step Wall: 7900.48, 0.00321573/step, 2.25423 hours remaining, 239.695312 MB of memory in use. ENERGY: 2476400 3955.7760 20536.7736 14513.8002 244.2275 -203279.7011 2525.9146 0.0000 0.0000 51976.2745 -109526.9348 298.7084 -161503.2093 -109163.4552 299.9537 -119.8838 -93.7619 762179.5874 -19.7218 -19.8031 PRESSURE: 2476600 31.9928 93.2831 -209.067 93.2822 -189.203 -84.2704 -209.066 -84.2711 -118.097 GPRESSURE: 2476600 77.6041 190.685 -247.38 45.3538 -235.255 -109.955 -252.791 -19.2018 -34.1173 PRESSAVG: 2476600 42.2667 11.1483 -3.91873 11.1483 -16.2766 -21.405 -3.91872 -21.405 -16.5462 GPRESSAVG: 2476600 42.6098 11.9698 -4.49584 10.8505 -16.1778 -22.4109 -4.20547 -20.812 -16.6474 TIMING: 2476600 CPU: 7901.11, 0.00315577/step Wall: 7901.11, 0.00315577/step, 2.21202 hours remaining, 239.898438 MB of memory in use. ENERGY: 2476600 3966.6803 20613.6763 14502.7312 259.8791 -203538.3108 2721.4887 0.0000 0.0000 51773.5338 -109700.3213 297.5432 -161473.8551 -109348.0247 298.8642 -91.7692 -63.9228 762468.8214 3.1480 3.2615 PRESSURE: 2476800 -55.7261 -131.51 -36.6132 -131.51 137.926 -57.8813 -36.6134 -57.88 28.6528 GPRESSURE: 2476800 -2.2018 -110.542 14.8521 -30.059 175.206 -38.0324 72.968 -88.6921 18.1174 PRESSAVG: 2476800 -34.8441 -29.9724 10.4302 -29.9723 -25.5452 -12.2142 10.4302 -12.2142 23.4171 GPRESSAVG: 2476800 -35.7367 -32.1971 9.35182 -30.368 -25.3107 -10.739 11.5052 -11.2904 23.7413 TIMING: 2476800 CPU: 7901.74, 0.00314675/step Wall: 7901.74, 0.00314675/step, 2.20552 hours remaining, 239.898438 MB of memory in use. ENERGY: 2476800 4061.0127 20440.5473 14434.4653 243.8945 -203496.8459 2712.4512 0.0000 0.0000 52052.6175 -109551.8574 299.1471 -161604.4749 -109186.7900 299.2474 36.9508 63.7073 762663.2291 -12.3241 -12.4354 PRESSURE: 2477000 -163.382 -126.931 71.8303 -126.93 -430.834 136.333 71.8308 136.333 -259.952 GPRESSURE: 2477000 -179.591 -153.019 -51.5056 -103.506 -374.543 85.8603 -3.09148 228.303 -223.968 PRESSAVG: 2477000 29.4134 -70.2345 15.6732 -70.2345 -19.1922 7.57595 15.6732 7.57592 -0.441958 GPRESSAVG: 2477000 30.3949 -68.5976 16.1533 -69.649 -20.5856 7.97445 15.546 6.20653 -0.226591 TIMING: 2477000 CPU: 7902.37, 0.00317571/step Wall: 7902.37, 0.00317571/step, 2.22564 hours remaining, 239.898438 MB of memory in use. ENERGY: 2477000 4014.0894 20502.7223 14420.4300 243.5825 -203491.7824 2747.9243 0.0000 0.0000 52090.7078 -109472.3262 299.3660 -161563.0340 -109124.3795 298.9848 -284.7224 -259.3673 763250.7728 3.2597 3.1942 PRESSURE: 2477200 -320.023 -154.871 34.5311 -154.871 -135.84 -190.085 34.5308 -190.086 -41.4652 GPRESSURE: 2477200 -304.496 -199.553 91.8353 -190.464 -50.4371 -112.364 78.1333 -237.29 -69.4263 PRESSAVG: 2477200 40.2043 1.47822 -0.394131 1.47816 21.9012 1.36877 -0.394134 1.36877 3.27275 GPRESSAVG: 2477200 38.793 -0.189516 -1.33227 3.5034 23.577 -0.592494 -0.946783 4.16911 3.4742 TIMING: 2477200 CPU: 7903, 0.00314254/step Wall: 7903, 0.00314254/step, 2.20222 hours remaining, 239.898438 MB of memory in use. ENERGY: 2477200 4052.5731 20500.7843 14438.4683 230.7543 -203496.4143 2608.6907 0.0000 0.0000 51985.5673 -109679.5762 298.7618 -161665.1435 -109312.9355 298.8563 -165.7762 -141.4532 760922.3936 21.7928 21.9481 PRESSURE: 2477400 -365.445 -135.666 -128.243 -135.666 140.47 -69.8557 -128.242 -69.8561 274.936 GPRESSURE: 2477400 -350.136 -85.723 -128.715 -131.867 166.362 -83.2046 -71.7441 -51.4142 321.278 PRESSAVG: 2477400 -13.9912 -38.8425 -17.6583 -38.8424 5.74422 -15.1241 -17.6582 -15.1242 3.4974 GPRESSAVG: 2477400 -12.0479 -33.9469 -15.7557 -41.7657 3.75519 -13.9811 -16.7141 -16.7935 3.28313 TIMING: 2477400 CPU: 7903.63, 0.00316663/step Wall: 7903.63, 0.00316663/step, 2.21893 hours remaining, 239.898438 MB of memory in use. ENERGY: 2477400 3914.7514 20566.4507 14429.8696 255.7415 -203096.4367 2236.5724 0.0000 0.0000 52179.1147 -109513.9365 299.8741 -161693.0512 -109160.6282 298.8278 16.6535 45.8347 761984.2029 -1.5832 -1.6699 PRESSURE: 2477600 -7.07719 -266.46 -100.552 -266.46 -281.66 -6.73292 -100.553 -6.73238 -378.617 GPRESSURE: 2477600 33.8172 -240.196 -114.395 -312.014 -276.855 -67.094 -41.3782 -31.2896 -323.84 PRESSAVG: 2477600 11.3861 -31.1045 -53.0078 -31.1045 -30.7719 -31.5942 -53.0079 -31.5941 -24.7485 GPRESSAVG: 2477600 12.3194 -34.0452 -54.2512 -30.7714 -31.0291 -30.4503 -52.9336 -34.7666 -25.725 TIMING: 2477600 CPU: 7904.26, 0.00313156/step Wall: 7904.26, 0.00313156/step, 2.19418 hours remaining, 239.898438 MB of memory in use. ENERGY: 2477600 3969.7263 20456.5019 14467.3923 232.7202 -203386.6458 2648.3879 0.0000 0.0000 52216.2819 -109395.6353 300.0877 -161611.9172 -109019.6657 299.7277 -222.4514 -188.9592 761805.7152 -14.7114 -14.8115 PRESSURE: 2477800 -180.825 -116.821 60.1612 -116.822 -200.192 137.18 60.1612 137.18 -192.347 GPRESSURE: 2477800 -120.991 -41.6467 46.2267 -82.9726 -193.707 122.3 22.8064 -2.57821 -182.69 PRESSAVG: 2477800 -2.68115 -62.1771 -23.5074 -62.1771 -62.8421 -81.5438 -23.5074 -81.5437 -1.5519 GPRESSAVG: 2477800 -4.06808 -61.8375 -22.5807 -60.3771 -61.9998 -81.6773 -24.5114 -79.4092 -0.895476 TIMING: 2477800 CPU: 7904.89, 0.00314504/step Wall: 7904.89, 0.00314504/step, 2.20345 hours remaining, 239.898438 MB of memory in use. ENERGY: 2477800 4074.5282 20389.5685 14467.4221 243.2022 -203688.2812 2984.5110 0.0000 0.0000 52199.9056 -109329.1437 299.9936 -161529.0493 -108971.9169 299.3521 -191.1213 -165.7959 761563.5733 -22.3584 -22.3211 PRESSURE: 2478000 -126.953 77.1828 59.9545 77.183 -317.409 71.2653 59.9541 71.2649 -453.882 GPRESSURE: 2478000 -139.327 116.151 10.2488 108.586 -255.123 106.789 17.3023 99.2906 -406.384 PRESSAVG: 2478000 -13.5803 -44.1094 18.3197 -44.1093 50.7162 -19.414 18.3197 -19.414 4.83418 GPRESSAVG: 2478000 -13.934 -44.5989 18.1032 -46.9385 50.1117 -19.7949 19.4336 -18.5812 5.97651 TIMING: 2478000 CPU: 7905.52, 0.00313332/step Wall: 7905.52, 0.00313332/step, 2.19507 hours remaining, 239.898438 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: 2478000 3983.3119 20590.4746 14398.8272 232.7698 -203177.6819 2338.3254 0.0000 0.0000 52108.0988 -109525.8742 299.4660 -161633.9730 -109175.5010 299.3461 -299.4148 -266.9445 760889.7639 13.9900 14.0514 PRESSURE: 2478200 -509.022 -68.6672 164.982 -68.6673 -229.648 -104.579 164.982 -104.578 -102.513 GPRESSURE: 2478200 -538.695 -164.818 115.733 -14.2867 -212.716 -89.9559 172.508 -97.5447 11.6091 PRESSAVG: 2478200 7.01246 -52.227 9.10274 -52.227 22.3975 2.8159 9.10274 2.8159 -16.482 GPRESSAVG: 2478200 7.08054 -51.4875 8.76395 -49.2198 23.6952 1.28427 7.05012 2.81946 -18.0197 TIMING: 2478200 CPU: 7906.14, 0.0031327/step Wall: 7906.14, 0.0031327/step, 2.19446 hours remaining, 239.898438 MB of memory in use. ENERGY: 2478200 4063.8476 20351.5163 14456.6415 254.4123 -203624.4962 2742.9959 0.0000 0.0000 52003.4856 -109751.5971 298.8647 -161755.0827 -109395.0134 299.1788 -280.3946 -246.6004 761081.7253 4.3093 4.2520 PRESSURE: 2478400 -264.958 19.7307 -69.1095 19.7316 -136.3 147.72 -69.1101 147.72 89.9393 GPRESSURE: 2478400 -217.917 -34.7289 28.5212 -114.865 -130.815 127.298 -113.022 129.391 110.839 PRESSAVG: 2478400 -3.58329 -21.5335 44.4079 -21.5335 -14.58 11.6425 44.4079 11.6425 1.93001 GPRESSAVG: 2478400 -4.62695 -22.8283 47.12 -23.2724 -15.4469 13.3334 43.7091 13.9396 3.43159 TIMING: 2478400 CPU: 7906.77, 0.00315573/step Wall: 7906.77, 0.00315573/step, 2.21041 hours remaining, 239.898438 MB of memory in use. ENERGY: 2478400 4060.4835 20632.7553 14435.9289 243.6435 -203185.1129 2544.9128 0.0000 0.0000 51651.9266 -109615.4623 296.8443 -161267.3889 -109259.7099 298.6725 -103.7729 -79.2976 762258.7180 -5.4111 -5.5474 PRESSURE: 2478600 -30.5681 153.974 106.916 153.973 79.3805 256.505 106.915 256.507 -237.136 GPRESSURE: 2478600 -66.3978 201.622 74.0112 85.4538 154.358 379.879 159.253 219.221 -219.286 PRESSAVG: 2478600 -36.3291 -41.3566 38.5124 -41.3566 19.4837 5.62993 38.5124 5.62989 7.23823 GPRESSAVG: 2478600 -36.0338 -40.32 36.5103 -40.5604 19.5968 5.89657 39.7201 3.52973 6.62074 TIMING: 2478600 CPU: 7907.4, 0.00312634/step Wall: 7907.4, 0.00312634/step, 2.18965 hours remaining, 239.898438 MB of memory in use. ENERGY: 2478600 3954.3254 20725.3267 14389.1514 229.7077 -203619.9503 2546.1495 0.0000 0.0000 51868.1775 -109907.1121 298.0871 -161775.2896 -109539.6476 298.1931 -62.7744 -43.7756 760488.1339 -3.2024 -3.2721 PRESSURE: 2478800 -206.195 -82.6884 107.29 -82.6888 368.09 -43.0444 107.291 -43.0454 239.874 GPRESSURE: 2478800 -103.056 -161.922 93.1754 -103.583 292.806 -32.62 46.5469 10.7631 277.579 PRESSAVG: 2478800 16.7675 -27.1649 29.3028 -27.1649 -0.285973 26.3747 29.3028 26.3746 -10.7234 GPRESSAVG: 2478800 17.6183 -26.9769 28.0769 -27.7414 0.0364733 25.3719 28.2779 28.3971 -12.2424 TIMING: 2478800 CPU: 7908.03, 0.00314119/step Wall: 7908.03, 0.00314119/step, 2.19988 hours remaining, 239.898438 MB of memory in use. ENERGY: 2478800 3963.4583 20648.1906 14464.3094 238.5127 -203724.9362 2599.0094 0.0000 0.0000 51888.0642 -109923.3918 298.2014 -161811.4559 -109570.0227 298.6056 133.9233 155.7763 761658.7398 1.9194 1.8041 PRESSURE: 2479000 348.086 58.221 -192.745 58.2227 -203.119 72.7809 -192.746 72.7815 -187.808 GPRESSURE: 2479000 379.837 102.349 -196.707 3.74461 -138.939 38.7618 -140.214 34.8347 -184.832 PRESSAVG: 2479000 4.96602 -24.0929 -0.599057 -24.093 -38.191 -6.14047 -0.599083 -6.14056 -26.5961 GPRESSAVG: 2479000 3.39469 -22.7628 1.04765 -26.0308 -37.5448 -6.73449 0.920591 -6.99874 -25.5072 TIMING: 2479000 CPU: 7908.66, 0.00314787/step Wall: 7908.66, 0.00314787/step, 2.20438 hours remaining, 239.898438 MB of memory in use. ENERGY: 2479000 3982.5847 20494.5903 14476.0676 248.7267 -203750.4424 2644.9388 0.0000 0.0000 52105.4183 -109798.1160 299.4506 -161903.5343 -109438.1750 298.0849 -14.2804 18.6884 761844.6598 -19.9404 -19.8858 PRESSURE: 2479200 -274.889 -113.115 185.519 -113.115 99.3231 -85.079 185.519 -85.0778 52.1303 GPRESSURE: 2479200 -274.534 -61.1094 114.164 -202.476 199.561 -187.262 195.348 -164.665 45.5249 PRESSAVG: 2479200 36.5985 24.6799 30.5325 24.6799 -35.0108 11.206 30.5324 11.206 1.46228 GPRESSAVG: 2479200 36.8538 23.5092 31.3184 26.5701 -35.0694 12.1473 31.1372 9.14932 1.156 TIMING: 2479200 CPU: 7909.29, 0.00314693/step Wall: 7909.29, 0.00314693/step, 2.20355 hours remaining, 239.898438 MB of memory in use. ENERGY: 2479200 4018.0234 20388.1969 14514.2610 242.7426 -203498.5687 2311.8327 0.0000 0.0000 52007.2217 -110016.2905 298.8862 -162023.5121 -109652.0502 298.3104 -41.1453 -9.8162 761515.4177 1.0166 0.9801 PRESSURE: 2479400 257.96 34.1906 -42.3605 34.1906 127.636 189.791 -42.3615 189.79 113.6 GPRESSURE: 2479400 246.735 4.82427 -28.5236 16.267 154.135 169.218 90.5866 70.8386 194.743 PRESSAVG: 2479400 1.31165 0.644615 56.1932 0.644524 -50.9874 -13.1036 56.1933 -13.1035 -10.0724 GPRESSAVG: 2479400 2.08968 -0.265774 55.3319 0.479245 -52.509 -13.5778 55.1854 -11.9383 -9.73745 TIMING: 2479400 CPU: 7909.92, 0.00314837/step Wall: 7909.92, 0.00314837/step, 2.20439 hours remaining, 239.898438 MB of memory in use. ENERGY: 2479400 4016.8185 20266.8025 14409.3714 243.4930 -203443.8551 2506.6858 0.0000 0.0000 51818.9864 -110181.6974 297.8044 -162000.6838 -109825.1654 298.1675 166.3989 198.5377 761210.6801 -19.9160 -20.0523 PRESSURE: 2479600 212.481 14.1789 159.516 14.1797 -113.877 37.9798 159.516 37.9789 30.4691 GPRESSURE: 2479600 258.953 118.442 138.824 83.1835 -156.097 57.5981 17.2881 228.229 101.363 PRESSAVG: 2479600 14.7992 43.2123 4.71014 43.2123 6.10792 35.6728 4.71011 35.6728 13.3366 GPRESSAVG: 2479600 15.2983 45.7174 3.14708 42.6882 5.31691 36.3966 4.11665 35.8232 13.7415 TIMING: 2479600 CPU: 7910.54, 0.00311753/step Wall: 7910.54, 0.00311753/step, 2.18262 hours remaining, 239.898438 MB of memory in use. ENERGY: 2479600 3871.4820 20447.1492 14389.7088 259.8531 -203459.1825 2639.8610 0.0000 0.0000 51896.6037 -109954.5246 298.2505 -161851.1284 -109596.5820 298.0576 43.0243 68.0728 763146.1119 11.4146 11.4522 PRESSURE: 2479800 -99.3724 -2.2105 -113.922 -2.2114 -98.0289 -19.6963 -113.922 -19.695 -213.586 GPRESSURE: 2479800 -35.5103 44.0567 -181.92 -89.9333 -104.534 56.3221 -114.079 -176.696 -169.934 PRESSAVG: 2479800 25.8393 9.89993 28.6972 9.89992 -12.0562 -7.78943 28.6971 -7.78943 -22.4403 GPRESSAVG: 2479800 24.443 8.74591 29.5014 10.4486 -11.32 -7.73311 27.5033 -7.36366 -22.4714 TIMING: 2479800 CPU: 7911.16, 0.00311364/step Wall: 7911.16, 0.00311364/step, 2.17972 hours remaining, 239.898438 MB of memory in use. ENERGY: 2479800 3997.8250 20479.4309 14441.5772 262.1625 -203408.9994 2456.0316 0.0000 0.0000 51847.2960 -109924.6761 297.9671 -161771.9721 -109568.3353 298.1942 -136.9957 -103.3262 761520.6665 -2.8857 -3.1161 PRESSURE: 2480000 123.428 -85.4447 98.8521 -85.445 64.5161 -194.644 98.8518 -194.644 320.633 GPRESSURE: 2480000 162.06 -108.238 82.5446 -11.1173 85.0001 -106.185 104 -191.365 334.099 PRESSAVG: 2480000 26.9076 -41.322 24.5119 -41.3221 -95.6112 -3.09618 24.5119 -3.09608 -2.35204 GPRESSAVG: 2480000 28.1571 -42.7029 24.175 -41.4181 -95.9099 -1.88601 24.8167 -6.61103 -3.25078 TIMING: 2480000 CPU: 7911.79, 0.00311881/step Wall: 7911.79, 0.00311881/step, 2.18317 hours remaining, 239.898438 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: 2480000 4016.4370 20625.8305 14444.4947 222.5282 -203448.5832 2510.6824 0.0000 0.0000 51829.1705 -109799.4398 297.8630 -161628.6104 -109449.7960 298.6305 169.5255 193.7199 760418.1967 -23.6852 -23.6679 PRESSURE: 2480200 139.943 67.8871 74.7934 67.8879 -210.821 -62.1419 74.7931 -62.1405 7.27988 GPRESSURE: 2480200 104.831 104.757 226.26 115.009 -156.235 -145.795 9.39136 -113.611 73.4656 PRESSAVG: 2480200 -4.8304 -19.4155 -21.1767 -19.4154 6.01608 85.81 -21.1768 85.81 21.5562 GPRESSAVG: 2480200 -5.34876 -18.2871 -20.3264 -18.7038 6.9529 85.1127 -19.6154 86.2556 21.353 TIMING: 2480200 CPU: 7912.41, 0.0031257/step Wall: 7912.41, 0.0031257/step, 2.18782 hours remaining, 239.898438 MB of memory in use. ENERGY: 2480200 3980.6799 20388.4672 14450.2226 252.2879 -203843.3678 2914.5589 0.0000 0.0000 51910.0426 -109947.1087 298.3277 -161857.1514 -109590.3407 298.6604 -21.1995 7.3539 760787.7592 7.5806 7.6524 LDB: ============= START OF LOAD BALANCING ============== 7924.86 LDB: ============== END OF LOAD BALANCING =============== 7924.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7924.86 LDB: ============= START OF LOAD BALANCING ============== 7925.18 LDB: Largest compute 7044 load 0.035250 is 18.1% of average load 0.195252 LDB: Average compute 0.004376 is 2.2% of average load 0.195252 LDB: TIME 7925.18 LOAD: AVG 0.195252 MAX 0.21408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.898 MB LDB: TIME 7925.18 LOAD: AVG 0.195252 MAX 0.21408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.996 MB LDB: TIME 7925.18 LOAD: AVG 0.195252 MAX 0.21408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.996 MB LDB: ============== END OF LOAD BALANCING =============== 7925.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7925.19 PRESSURE: 2480400 -190.908 68.9178 -35.48 68.918 191.285 23.5465 -35.4803 23.545 -55.7429 GPRESSURE: 2480400 -152.192 40.6136 8.42543 -8.13414 133.613 71.2083 -57.0817 -71.8472 46.9071 PRESSAVG: 2480400 0.850659 -2.60618 -33.1831 -2.60615 0.264529 5.07757 -33.183 5.07755 14.6217 GPRESSAVG: 2480400 1.75911 -3.53979 -34.6602 -2.14698 -2.17902 5.08841 -33.9654 7.51678 15.961 TIMING: 2480400 CPU: 7913.06, 0.00322443/step Wall: 7913.06, 0.00322443/step, 2.25674 hours remaining, 240.667969 MB of memory in use. ENERGY: 2480400 3943.5088 20363.8553 14474.2317 245.2200 -203143.2032 2440.6199 0.0000 0.0000 52018.9676 -109656.8000 298.9537 -161675.7676 -109297.6025 298.4409 -18.4552 9.4427 761881.1075 5.2456 5.1804 PRESSURE: 2480600 -212.03 68.8834 -97.1252 68.8838 -56.4429 -32.4972 -97.1263 -32.4968 54.2702 GPRESSURE: 2480600 -151.958 33.4545 -174.386 -3.23049 -39.8287 -37.3247 -94.0183 21.1504 75.3904 PRESSAVG: 2480600 -61.8079 2.37187 -32.5753 2.3719 59.2478 7.05846 -32.5752 7.05844 4.0048 GPRESSAVG: 2480600 -61.8373 3.01474 -31.9462 1.88384 60.7354 6.79815 -31.3365 6.11369 2.92644 TIMING: 2480600 CPU: 7913.69, 0.00315239/step Wall: 7913.69, 0.00315239/step, 2.20615 hours remaining, 240.667969 MB of memory in use. ENERGY: 2480600 3964.9356 20326.9066 14454.2027 249.2274 -203179.2283 2674.0182 0.0000 0.0000 52034.9804 -109474.9574 299.0457 -161509.9378 -109111.9975 298.9748 -71.4009 -38.7988 761660.0778 0.4816 0.6082 PRESSURE: 2480800 48.1053 -41.7579 4.19739 -41.7572 -17.4833 -8.70399 4.19839 -8.70353 -369.621 GPRESSURE: 2480800 126.43 44.792 39.29 -88.247 15.3647 -41.5636 -23.9512 78.3958 -383.444 PRESSAVG: 2480800 1.6644 -9.24199 -1.37402 -9.24197 -19.9725 6.56121 -1.37396 6.56121 -16.678 GPRESSAVG: 2480800 1.65662 -10.0761 -0.329135 -8.80862 -20.0408 6.72164 -1.8243 7.58623 -16.6764 TIMING: 2480800 CPU: 7914.32, 0.0031741/step Wall: 7914.32, 0.0031741/step, 2.22116 hours remaining, 240.667969 MB of memory in use. ENERGY: 2480800 3939.8214 20456.2096 14379.3366 258.5757 -203367.8137 2723.7710 0.0000 0.0000 52020.8512 -109589.2482 298.9645 -161610.0994 -109217.4951 298.7264 -112.9996 -80.5496 762830.5426 -11.6620 -11.6868 PRESSURE: 2481000 151.13 15.0565 -73.6254 15.0569 184.623 -279.427 -73.6252 -279.427 -26.1666 GPRESSURE: 2481000 70.9511 47.7722 -38.9378 -20.083 266.548 -347.134 -34.707 -298.019 71.1264 PRESSAVG: 2481000 24.7717 -39.9541 24.3046 -39.9541 -64.2347 -21.8842 24.3046 -21.8843 -32.7839 GPRESSAVG: 2481000 23.331 -39.223 23.9004 -41.0104 -63.3624 -21.3291 24.716 -22.0147 -31.7782 TIMING: 2481000 CPU: 7914.96, 0.00318567/step Wall: 7914.96, 0.00318566/step, 2.22908 hours remaining, 240.667969 MB of memory in use. ENERGY: 2481000 3969.3733 20483.1885 14481.4545 245.8848 -203542.1373 2779.4226 0.0000 0.0000 52084.2403 -109498.5732 299.3288 -161582.8136 -109138.0953 299.4784 103.1954 136.2086 762569.6986 -24.0823 -23.9365 PRESSURE: 2481200 198.63 93.7627 -15.5484 93.7625 272.729 -23.0606 -15.5485 -23.0609 39.5451 GPRESSURE: 2481200 231.362 89.4383 -85.388 162.062 309.692 17.5714 -130.714 -22.9384 66.2254 PRESSAVG: 2481200 29.3528 -18.9726 -21.5986 -18.9725 -31.3611 -47.2445 -21.5987 -47.2445 23.6051 GPRESSAVG: 2481200 30.3241 -19.9005 -19.1429 -16.0031 -30.7399 -48.7045 -23.7345 -47.6098 22.1454 TIMING: 2481200 CPU: 7915.6, 0.00319075/step Wall: 7915.6, 0.00319075/step, 2.23246 hours remaining, 240.667969 MB of memory in use. ENERGY: 2481200 3984.0411 20645.1253 14429.9066 250.1114 -203445.9991 2787.8902 0.0000 0.0000 52021.0252 -109327.8992 298.9655 -161348.9244 -108974.9501 298.8009 170.3013 202.4267 760520.1555 7.1989 7.2432 PRESSURE: 2481400 146.347 -126.317 -372.492 -126.317 -125.465 -109.718 -372.492 -109.718 -63.7874 GPRESSURE: 2481400 169.159 -139.789 -368.512 -97.3376 -51.7786 -87.8441 -344.134 18.6674 -60.245 PRESSAVG: 2481400 21.0724 -42.3751 -9.15932 -42.375 25.077 -36.2743 -9.15926 -36.2743 7.21601 GPRESSAVG: 2481400 21.5935 -40.966 -11.1244 -43.3466 23.139 -35.9917 -7.87291 -34.3112 8.22225 TIMING: 2481400 CPU: 7916.23, 0.00317606/step Wall: 7916.23, 0.00317606/step, 2.22201 hours remaining, 240.667969 MB of memory in use. ENERGY: 2481400 3922.1123 20506.3461 14521.2011 238.5448 -203250.2059 2372.2656 0.0000 0.0000 52124.7700 -109564.9660 299.5618 -161689.7360 -109190.6043 298.9481 -14.3018 19.0452 760772.8211 17.7885 17.6516 PRESSURE: 2481600 308.315 -46.4623 106.803 -46.4627 76.2119 195.92 106.802 195.921 140.338 GPRESSURE: 2481600 185.929 -85.1759 132.832 -97.7412 211.521 139.567 63.4415 109.644 201.693 PRESSAVG: 2481600 45.5368 19.6834 23.9263 19.6835 -28.0465 -5.9781 23.9262 -5.97807 -36.4716 GPRESSAVG: 2481600 43.4791 21.2348 22.68 17.6835 -25.9848 -4.3423 23.984 -5.645 -36.5613 TIMING: 2481600 CPU: 7916.86, 0.00314072/step Wall: 7916.86, 0.00314072/step, 2.19711 hours remaining, 240.667969 MB of memory in use. ENERGY: 2481600 3965.3296 20570.5832 14498.8053 250.5634 -203388.8248 2441.5702 0.0000 0.0000 52096.3219 -109565.6511 299.3983 -161661.9731 -109200.0888 298.6236 174.9548 199.7141 760265.7478 -6.3271 -6.3556 PRESSURE: 2481800 -124.132 -67.5953 -38.4326 -67.5953 40.647 -178.734 -38.4336 -178.734 190.852 GPRESSURE: 2481800 -136.062 -85.6495 -44.1202 -56.3103 188.785 -75.3225 -63.4586 -207.015 151.559 PRESSAVG: 2481800 -4.85226 -14.6938 -25.486 -14.6939 37.097 36.2993 -25.486 36.2993 9.73697 GPRESSAVG: 2481800 -3.72459 -17.2661 -24.643 -14.5126 36.2193 35.5416 -23.8289 34.2655 9.47599 TIMING: 2481800 CPU: 7917.49, 0.00316079/step Wall: 7917.49, 0.00316079/step, 2.21097 hours remaining, 240.667969 MB of memory in use. ENERGY: 2481800 3990.5228 20396.6550 14482.7124 235.2760 -203199.3556 2315.8534 0.0000 0.0000 52047.7103 -109730.6256 299.1189 -161778.3359 -109370.6581 298.4680 35.7888 68.0939 759140.9632 13.9939 13.9902 PRESSURE: 2482000 -307.404 -173.911 210.806 -173.912 -23.8633 -32.1003 210.806 -32.1011 -216.706 GPRESSURE: 2482000 -314.647 -168.494 154.644 -174.32 3.19149 25.8256 66.7962 35.6412 -166.548 PRESSAVG: 2482000 47.003 -47.359 -19.8077 -47.3591 -16.7748 -44.219 -19.8076 -44.219 1.48551 GPRESSAVG: 2482000 47.4219 -48.2118 -21.0905 -46.8056 -16.5773 -44.2698 -20.8196 -43.2039 0.792626 TIMING: 2482000 CPU: 7918.13, 0.00320585/step Wall: 7918.13, 0.00320585/step, 2.24231 hours remaining, 240.667969 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: 2482000 4006.4461 20505.4499 14485.4024 253.9747 -203163.9284 2365.8810 0.0000 0.0000 51966.1538 -109580.6205 298.6502 -161546.7743 -109217.3992 298.6844 -182.6575 -159.3346 762137.2278 10.5712 10.5458 PRESSURE: 2482200 -87.4325 -173.398 123.107 -173.397 -109.013 -164.896 123.107 -164.895 168.51 GPRESSURE: 2482200 8.0099 -147.175 131.701 -51.8542 -69.8348 -205.632 200.804 -163.963 128.594 PRESSAVG: 2482200 -4.8767 8.47236 6.15996 8.47232 9.99261 -14.7451 6.15996 -14.745 13.6058 GPRESSAVG: 2482200 -4.88389 9.32453 5.03773 9.47735 9.20758 -15.2802 7.21037 -15.0535 13.8873 TIMING: 2482200 CPU: 7918.77, 0.00317189/step Wall: 7918.77, 0.00317189/step, 2.21838 hours remaining, 240.667969 MB of memory in use. ENERGY: 2482200 4023.6621 20392.9615 14534.3660 237.6024 -203559.2446 2646.4222 0.0000 0.0000 52200.8580 -109523.3723 299.9990 -161724.2303 -109152.9388 299.1312 -9.3117 22.2564 760039.0472 6.2406 6.0703 PRESSURE: 2482400 83.5717 -179.274 -30.3079 -179.275 10.3913 -15.6734 -30.3083 -15.6732 488.923 GPRESSURE: 2482400 232.659 -135.107 28.1671 -82.6003 -86.1623 14.4777 -81.2961 0.586493 509.829 PRESSAVG: 2482400 14.41 19.2103 56.1355 19.2103 25.9791 -25.9905 56.1356 -25.9904 -9.13966 GPRESSAVG: 2482400 14.7121 20.0935 57.0565 20.0708 26.8874 -26.7979 56.5501 -24.5212 -9.96098 TIMING: 2482400 CPU: 7919.4, 0.00314966/step Wall: 7919.4, 0.00314966/step, 2.20266 hours remaining, 240.667969 MB of memory in use. ENERGY: 2482400 3950.3364 20511.4156 14506.2490 243.6432 -203385.3190 2556.9878 0.0000 0.0000 52091.1937 -109525.4932 299.3688 -161616.6869 -109153.7801 299.1994 194.2952 218.7751 759186.1679 10.4165 10.5462 PRESSURE: 2482600 -199.517 86.4049 256.007 86.4042 190.79 68.0535 256.006 68.0533 84.5677 GPRESSURE: 2482600 -86.9787 -29.9141 237.21 138.449 187.456 46.6853 269.409 -1.40344 61.7697 PRESSAVG: 2482600 -22.642 -8.17174 -0.0579026 -8.17178 34.2103 -25.3801 -0.0578432 -25.3801 10.8278 GPRESSAVG: 2482600 -22.4398 -7.21435 1.71265 -10.6275 34.5895 -26.1732 -1.59114 -28.2791 10.7114 TIMING: 2482600 CPU: 7920.03, 0.00315245/step Wall: 7920.03, 0.00315245/step, 2.20444 hours remaining, 240.667969 MB of memory in use. ENERGY: 2482600 3915.5071 20572.2803 14512.0508 269.9846 -203322.5049 2439.7988 0.0000 0.0000 52037.4327 -109575.4506 299.0598 -161612.8832 -109216.1635 298.7192 25.2804 54.0822 760781.4448 7.4653 7.6203 PRESSURE: 2482800 235.392 -195.797 152.066 -195.797 -104.804 -35.2672 152.065 -35.2682 146.986 GPRESSURE: 2482800 255.329 -204.786 134.569 -32.449 -57.9801 -112.748 76.3734 10.907 176.559 PRESSAVG: 2482800 13.6819 -20.7241 22.0972 -20.7241 20.8619 16.5925 22.0972 16.5925 -2.68436 GPRESSAVG: 2482800 13.299 -21.7903 21.7235 -19.4902 20.0108 18.0837 20.2062 18.5596 -1.26688 TIMING: 2482800 CPU: 7920.66, 0.00315059/step Wall: 7920.66, 0.00315059/step, 2.20296 hours remaining, 240.667969 MB of memory in use. ENERGY: 2482800 4040.3662 20498.9021 14510.6956 256.9052 -203399.6310 2633.8112 0.0000 0.0000 51794.4218 -109664.5288 297.6633 -161458.9506 -109316.4635 298.8625 92.5245 124.6359 759599.8241 10.6198 10.6810 PRESSURE: 2483000 21.8602 44.4029 50.7199 44.4031 0.744737 -33.2843 50.7197 -33.2835 -103.657 GPRESSURE: 2483000 27.6568 173.31 120.226 68.6157 26.1429 -146.652 55.8805 -76.0367 -47.5156 PRESSAVG: 2483000 -38.875 -58.1928 39.609 -58.1928 19.9988 11.0013 39.6089 11.0014 20.0553 GPRESSAVG: 2483000 -39.6256 -57.0402 38.7639 -60.7809 21.4107 9.85043 41.4375 10.3264 19.5427 TIMING: 2483000 CPU: 7921.29, 0.00314697/step Wall: 7921.29, 0.00314697/step, 2.20026 hours remaining, 240.667969 MB of memory in use. ENERGY: 2483000 3969.4951 20667.0770 14451.4424 263.9802 -203253.6549 2430.5997 0.0000 0.0000 51915.2572 -109555.8034 298.3577 -161471.0606 -109194.3324 298.9321 -27.0172 2.0947 760716.2052 0.3930 0.4426 PRESSURE: 2483200 -23.2171 -193.842 -70.4325 -193.843 -182.094 -127.412 -70.4323 -127.412 158.016 GPRESSURE: 2483200 -67.4246 -298.816 -5.66393 -113.961 -105.197 -88.6301 -142.663 -120.424 221.144 PRESSAVG: 2483200 61.5635 -17.2196 41.6709 -17.2195 -62.8331 -10.0687 41.6709 -10.0687 17.8716 GPRESSAVG: 2483200 61.9513 -19.0979 41.3131 -14.9265 -63.2468 -8.86297 41.0973 -9.26252 17.6301 TIMING: 2483200 CPU: 7921.91, 0.00313548/step Wall: 7921.91, 0.00313548/step, 2.19205 hours remaining, 240.667969 MB of memory in use. ENERGY: 2483200 4007.7859 20581.6267 14488.5622 253.3073 -203515.0388 2467.5864 0.0000 0.0000 52033.7305 -109682.4398 299.0386 -161716.1702 -109308.9486 298.5777 -15.7648 16.1742 761878.7275 5.5340 5.4449 PRESSURE: 2483400 -26.7186 -86.4804 238.473 -86.4794 -66.3208 231.024 238.473 231.025 -23.0804 GPRESSURE: 2483400 -81.1617 39.1308 259.367 -169.043 19.2435 235.292 258.161 218.164 21.6728 PRESSAVG: 2483400 81.7959 -24.3462 40.8462 -24.3462 -73.6763 26.2738 40.8462 26.2738 8.8401 GPRESSAVG: 2483400 82.5841 -23.5862 41.4569 -24.73 -73.4666 25.5344 39.139 25.3098 8.51663 TIMING: 2483400 CPU: 7922.55, 0.00317782/step Wall: 7922.55, 0.00317782/step, 2.22147 hours remaining, 240.667969 MB of memory in use. ENERGY: 2483400 3956.0979 20538.7459 14508.0513 244.6720 -203077.4237 2299.8839 0.0000 0.0000 51765.8803 -109764.0923 297.4992 -161529.9726 -109410.4668 298.6926 -38.7066 -13.4151 761369.2873 5.6533 5.8780 PRESSURE: 2483600 -30.104 175.015 -201.134 175.015 -136.89 79.0518 -201.134 79.0516 -158.487 GPRESSURE: 2483600 -41.0098 152.91 -151.183 153.199 -18.3459 109.178 -122.241 113.584 -157.303 PRESSAVG: 2483600 51.0918 -12.2393 -29.5705 -12.2393 -69.9828 -9.23952 -29.5705 -9.23948 6.19458 GPRESSAVG: 2483600 50.1488 -12.7765 -29.645 -10.884 -70.2984 -7.84518 -27.0924 -9.96812 7.51817 TIMING: 2483600 CPU: 7923.18, 0.00314223/step Wall: 7923.18, 0.00314223/step, 2.19642 hours remaining, 240.667969 MB of memory in use. ENERGY: 2483600 3938.4993 20511.3904 14471.3748 241.6710 -202941.7033 2148.2938 0.0000 0.0000 51926.6866 -109703.7874 298.4234 -161630.4739 -109342.7698 298.4981 -108.4936 -72.2197 760599.3504 -4.2321 -4.2105 PRESSURE: 2483800 -215.462 169.396 111.556 169.396 62.6542 89.544 111.556 89.5449 323.932 GPRESSURE: 2483800 -108.902 219.033 68.4831 92.3839 37.4221 22.8377 57.2335 -1.62771 333.944 PRESSAVG: 2483800 -13.6845 13.9587 -72.5217 13.9587 8.86579 8.3908 -72.5218 8.39068 -17.4546 GPRESSAVG: 2483800 -12.7905 14.182 -71.3634 14.4749 8.00779 5.88879 -75.3529 9.42553 -17.709 TIMING: 2483800 CPU: 7923.81, 0.003141/step Wall: 7923.81, 0.003141/step, 2.19538 hours remaining, 240.667969 MB of memory in use. ENERGY: 2483800 3954.5842 20394.3429 14488.9552 232.2742 -203027.6808 2527.1774 0.0000 0.0000 51905.0907 -109525.2562 298.2993 -161430.3470 -109159.4176 298.2396 57.0414 87.4881 760011.3712 -7.4244 -7.4972 PRESSURE: 2484000 135.138 -32.1196 57.0406 -32.1193 -145.199 -46.9364 57.0402 -46.9371 -27.7195 GPRESSURE: 2484000 96.2132 58.0086 93.4315 19.2357 -34.9336 42.7192 -112.988 61.0188 -35.5824 PRESSAVG: 2484000 46.2472 35.6262 -57.3154 35.6262 -19.8746 -44.1742 -57.3154 -44.1743 5.04045 GPRESSAVG: 2484000 46.8897 34.1611 -57.9693 33.7376 -18.9834 -44.4365 -54.7856 -44.1955 4.14631 TIMING: 2484000 CPU: 7924.44, 0.00314136/step Wall: 7924.44, 0.00314136/step, 2.19546 hours remaining, 240.667969 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: 2484000 3980.0727 20322.9057 14485.7709 247.7593 -202836.0811 2242.0660 0.0000 0.0000 51898.4572 -109659.0493 298.2611 -161557.5065 -109304.2101 298.9837 -12.5936 8.5657 758843.9929 10.4710 10.6842 PRESSURE: 2484200 -18.9611 -78.538 -150.567 -78.5379 110.7 -95.2417 -150.568 -95.2423 -291.457 GPRESSURE: 2484200 -7.58874 -103.012 -103.126 26.4472 95.0826 -147.762 -34.6228 -106.137 -207.324 PRESSAVG: 2484200 14.8199 19.296 -0.767897 19.296 -9.08329 -17.998 -0.767916 -17.998 -5.7222 GPRESSAVG: 2484200 14.4796 20.6414 -0.472383 19.5765 -9.1359 -15.2415 0.215067 -17.7286 -4.81354 TIMING: 2484200 CPU: 7925.06, 0.00314673/step Wall: 7925.06, 0.00314673/step, 2.19904 hours remaining, 240.667969 MB of memory in use. ENERGY: 2484200 3944.7736 20412.1366 14435.4508 244.3884 -203400.2579 2592.0297 0.0000 0.0000 52313.0028 -109458.4759 300.6435 -161771.4788 -109081.5227 298.6519 -66.5727 -39.9433 760154.2397 0.0048 0.1767 LDB: ============= START OF LOAD BALANCING ============== 7937.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7937.51 LDB: =============== DONE WITH MIGRATION ================ 7937.52 LDB: ============= START OF LOAD BALANCING ============== 7937.83 LDB: Largest compute 7072 load 0.033884 is 17.3% of average load 0.195331 LDB: Average compute 0.004381 is 2.2% of average load 0.195331 LDB: TIME 7937.83 LOAD: AVG 0.195331 MAX 0.214425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.023 MB LDB: TIME 7937.83 LOAD: AVG 0.195331 MAX 0.214425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.023 MB LDB: TIME 7937.83 LOAD: AVG 0.195331 MAX 0.214425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.023 MB LDB: ============== END OF LOAD BALANCING =============== 7937.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7937.84 PRESSURE: 2484400 159.311 -172.867 -30.3391 -172.867 5.37002 -116.094 -30.339 -116.095 130.005 GPRESSURE: 2484400 271.54 -167.62 71.7368 -151.089 -25.1943 -177.005 -123.304 -141.791 117.431 PRESSAVG: 2484400 29.8557 -17.2448 -34.0991 -17.2448 -70.5187 -68.5722 -34.0991 -68.5721 -11.8288 GPRESSAVG: 2484400 30.0525 -16.4999 -32.7593 -18.5806 -71.5255 -69.5484 -36.924 -68.172 -11.4315 TIMING: 2484400 CPU: 7925.7, 0.00319702/step Wall: 7925.7, 0.00319702/step, 2.23401 hours remaining, 240.550781 MB of memory in use. ENERGY: 2484400 3990.4348 20595.5519 14500.2803 253.6957 -203295.7445 2513.9433 0.0000 0.0000 51873.9385 -109567.9001 298.1202 -161441.8386 -109207.3948 298.9028 98.2288 121.2587 759683.6626 -17.4972 -17.6349 PRESSURE: 2484600 -19.8467 57.7267 -75.4646 57.7262 -39.7581 133.2 -75.4639 133.2 19.6976 GPRESSURE: 2484600 61.951 86.3694 -96.0455 30.4358 22.5074 287.616 -98.9703 27.1211 -25.1751 PRESSAVG: 2484600 -0.793681 -40.9866 -8.95366 -40.9866 -8.15836 29.364 -8.95367 29.3639 3.92751 GPRESSAVG: 2484600 -0.331598 -41.1163 -11.9789 -40.5546 -7.31199 29.7218 -5.88413 27.7306 2.74028 TIMING: 2484600 CPU: 7926.33, 0.00314794/step Wall: 7926.33, 0.00314794/step, 2.19953 hours remaining, 240.550781 MB of memory in use. ENERGY: 2484600 4008.1955 20446.5437 14518.4495 259.4431 -203446.1358 2578.3626 0.0000 0.0000 52169.4823 -109465.6592 299.8187 -161635.1414 -109106.7245 299.2319 -13.3024 19.7611 759709.3496 -1.6748 -1.6344 PRESSURE: 2484800 268.965 31.0019 -164.562 31.0025 107.624 -79.8117 -164.561 -79.8112 242.593 GPRESSURE: 2484800 156.894 72.0045 -123.098 -95.6559 351.951 -44.7264 -137.326 -24.2717 193.189 PRESSAVG: 2484800 30.4852 -35.0174 7.82479 -35.0175 -33.7619 -9.03968 7.82476 -9.03969 -23.3371 GPRESSAVG: 2484800 29.7341 -34.8682 7.06398 -33.8335 -33.7659 -8.67703 7.32765 -8.04974 -22.8395 TIMING: 2484800 CPU: 7926.96, 0.0031267/step Wall: 7926.96, 0.0031267/step, 2.18452 hours remaining, 240.550781 MB of memory in use. ENERGY: 2484800 4085.0808 20525.2347 14492.0964 235.2868 -203682.7696 2756.0383 0.0000 0.0000 52052.0804 -109536.9523 299.1440 -161589.0327 -109168.7077 299.7556 206.3939 234.0115 759308.2481 -8.8713 -8.9571 PRESSURE: 2485000 -237.936 -136.931 52.8038 -136.931 -195.364 -90.8637 52.8033 -90.8647 5.10633 GPRESSURE: 2485000 -234.718 -157.115 88.2671 -95.532 -127.411 -64.7859 27.8496 -77.4021 23.5123 PRESSAVG: 2485000 26.2306 -20.8633 -46.222 -20.8633 -40.3946 -8.76855 -46.222 -8.7685 -4.73527 GPRESSAVG: 2485000 27.2708 -19.8593 -43.6155 -21.1314 -42.2226 -9.73417 -47.0803 -9.80544 -4.2285 TIMING: 2485000 CPU: 7927.59, 0.00316862/step Wall: 7927.59, 0.00316862/step, 2.21364 hours remaining, 240.550781 MB of memory in use. ENERGY: 2485000 3932.3626 20404.1942 14501.3256 251.3017 -203196.2487 2316.9703 0.0000 0.0000 52191.3522 -109598.7420 299.9444 -161790.0942 -109223.8843 299.6016 -142.7311 -112.8722 761147.5413 -6.2998 -6.3934 PRESSURE: 2485200 -351.684 137.892 117.137 137.893 -209.205 15.8972 117.137 15.8976 -29.6683 GPRESSURE: 2485200 -245.189 178.279 65.9959 113.303 -181.779 -21.2531 242.829 -27.967 -79.5489 PRESSAVG: 2485200 33.8087 -28.3309 60.569 -28.3309 -60.5682 -49.2331 60.5689 -49.2331 27.6111 GPRESSAVG: 2485200 32.483 -29.3332 59.8127 -27.4608 -59.4585 -49.2098 59.4862 -48.5607 27.5094 TIMING: 2485200 CPU: 7928.22, 0.00314025/step Wall: 7928.22, 0.00314025/step, 2.19364 hours remaining, 240.550781 MB of memory in use. ENERGY: 2485200 3964.8282 20561.1841 14465.4495 231.3071 -203217.2615 2446.9133 0.0000 0.0000 52065.4147 -109482.1646 299.2207 -161547.5793 -109123.7068 299.3001 -196.8525 -168.8392 762098.9163 0.2839 0.1780 PRESSURE: 2485400 251.697 -124.154 -184.963 -124.153 -154.825 62.8436 -184.964 62.8438 -177.367 GPRESSURE: 2485400 206.518 -156.193 -154.058 91.267 -145.394 74.8502 -171.224 -0.92573 -58.461 PRESSAVG: 2485400 40.6856 -25.6358 37.4283 -25.6359 -61.1864 -66.5905 37.4283 -66.5905 6.28304 GPRESSAVG: 2485400 40.8636 -24.0281 38.8343 -25.4502 -61.3537 -65.9886 36.4286 -65.4742 6.31082 TIMING: 2485400 CPU: 7928.86, 0.00318173/step Wall: 7928.86, 0.00318173/step, 2.22244 hours remaining, 240.550781 MB of memory in use. ENERGY: 2485400 3978.1328 20556.9573 14493.8494 234.7260 -203095.5157 2383.1897 0.0000 0.0000 51878.3304 -109570.3301 298.1455 -161448.6605 -109212.4308 299.1662 -26.8315 0.8876 761486.3670 -4.7393 -4.7264 PRESSURE: 2485600 -132.293 -77.2066 72.6179 -77.2065 215.578 -154.532 72.6168 -154.531 195.709 GPRESSURE: 2485600 15.3027 -123.068 37.0789 -99.0218 105.803 -61.9906 168.394 -359.652 244.129 PRESSAVG: 2485600 37.4297 -45.8988 -14.8385 -45.8988 -45.2324 -67.4745 -14.8385 -67.4745 -9.30272 GPRESSAVG: 2485600 36.7872 -46.2212 -15.4754 -47.9312 -44.6649 -67.4359 -13.9951 -68.9781 -9.45992 TIMING: 2485600 CPU: 7929.49, 0.00316162/step Wall: 7929.49, 0.00316162/step, 2.20822 hours remaining, 240.550781 MB of memory in use. ENERGY: 2485600 4042.6306 20503.3308 14488.6402 239.1363 -203308.1047 2654.6135 0.0000 0.0000 52042.7146 -109337.0388 299.0902 -161379.7534 -108978.0870 299.3253 92.9981 121.7449 761920.1471 -5.7018 -5.7792 PRESSURE: 2485800 64.9135 -206.816 -18.2849 -206.815 -128.118 -144.446 -18.2858 -144.447 -135.928 GPRESSURE: 2485800 62.3043 -163.603 -74.3669 -158.813 -50.442 -221.495 -53.1332 -9.8215 -116.723 PRESSAVG: 2485800 -1.6959 -43.9217 -23.7589 -43.9217 48.9505 -39.7893 -23.7589 -39.7894 -0.257416 GPRESSAVG: 2485800 -0.975973 -43.8094 -24.1835 -45.3535 48.7125 -39.8137 -22.5367 -39.5087 -0.980966 TIMING: 2485800 CPU: 7930.12, 0.00313779/step Wall: 7930.12, 0.00313779/step, 2.1914 hours remaining, 240.550781 MB of memory in use. ENERGY: 2485800 3955.7436 20549.5372 14556.5171 249.8653 -203308.2379 2545.3029 0.0000 0.0000 52470.2717 -108981.0001 301.5474 -161451.2718 -108618.4575 299.5750 -66.3776 -34.9534 761312.5777 15.6657 15.5852 PRESSURE: 2486000 260.954 -89.2909 -134.95 -89.2916 -256.11 51.9905 -134.95 51.9917 -40.5631 GPRESSURE: 2486000 212.193 -21.7385 -143.842 -98.5825 -177.85 4.02105 -196.08 10.1471 -0.765404 PRESSAVG: 2486000 96.1641 -45.4361 -30.4059 -45.4362 -104.57 16.4859 -30.4059 16.4858 -3.0879 GPRESSAVG: 2486000 96.439 -46.7809 -29.9175 -43.7074 -105.609 16.5231 -31.8964 17.0179 -2.44531 TIMING: 2486000 CPU: 7930.75, 0.0031447/step Wall: 7930.75, 0.0031447/step, 2.19605 hours remaining, 240.550781 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: 2486000 3997.3841 20517.0479 14459.6356 240.4795 -203291.8429 2480.9161 0.0000 0.0000 52431.3583 -109165.0214 301.3237 -161596.3797 -108787.5901 300.2763 -11.9066 11.1928 761365.9125 -3.8314 -3.8717 PRESSURE: 2486200 203.79 158.56 90.1799 158.56 -0.895674 35.1085 90.1807 35.1072 -395.469 GPRESSURE: 2486200 216.584 57.9624 146.558 -14.7563 38.9099 28.6334 29.602 60.9558 -366.762 PRESSAVG: 2486200 0.321127 -54.4593 19.7638 -54.4593 -3.95145 -7.86534 19.7638 -7.8653 7.32445 GPRESSAVG: 2486200 0.473948 -52.6031 19.3297 -55.0636 -2.40059 -7.73704 19.0153 -9.86605 5.55005 TIMING: 2486200 CPU: 7931.38, 0.00315544/step Wall: 7931.38, 0.00315544/step, 2.20338 hours remaining, 240.550781 MB of memory in use. ENERGY: 2486200 4039.7923 20666.1860 14385.4301 252.6130 -203881.2379 2946.4986 0.0000 0.0000 52371.2521 -109219.4658 300.9783 -161590.7179 -108855.6604 300.0398 -64.1917 -37.0895 761155.6903 1.2314 1.2078 PRESSURE: 2486400 9.8934 -86.8965 -15.3099 -86.8964 323.444 24.3804 -15.3091 24.3808 -67.9209 GPRESSURE: 2486400 76.8505 -26.9754 -62.5566 10.5114 348.543 -47.6112 25.1029 98.6449 -76.4737 PRESSAVG: 2486400 59.1238 -31.7658 -3.43327 -31.7659 -32.9427 -31.7959 -3.43328 -31.7959 18.3854 GPRESSAVG: 2486400 57.6551 -31.1851 -3.51192 -29.8147 -32.5857 -32.518 -2.24909 -29.9464 19.4571 TIMING: 2486400 CPU: 7932, 0.00312698/step Wall: 7932, 0.00312698/step, 2.18332 hours remaining, 240.550781 MB of memory in use. ENERGY: 2486400 3914.9613 20625.4328 14491.2494 238.8708 -203606.3479 2689.6955 0.0000 0.0000 52297.6996 -109348.4385 300.5556 -161646.1381 -108989.5279 299.3337 88.4720 116.3067 760783.8390 14.8555 14.8422 PRESSURE: 2486600 -431.906 5.41522 -68.9452 5.41561 303.373 156.759 -68.9455 156.76 -110.772 GPRESSURE: 2486600 -320.342 125.302 25.5728 57.3137 268.305 132.123 -97.7254 156.525 -112.304 PRESSAVG: 2486600 11.9934 -24.6933 19.7634 -24.6933 -11.1402 -25.3055 19.7634 -25.3055 17.8199 GPRESSAVG: 2486600 12.9922 -23.2795 19.0241 -27.6406 -14.7352 -22.225 20.8038 -26.9527 19.58 TIMING: 2486600 CPU: 7932.63, 0.00312502/step Wall: 7932.63, 0.00312502/step, 2.18178 hours remaining, 240.550781 MB of memory in use. ENERGY: 2486600 3997.7165 20506.7108 14495.8655 251.0491 -203496.1457 2617.0616 0.0000 0.0000 52147.0413 -109480.7009 299.6898 -161627.7422 -109118.2998 299.4812 -79.7686 -54.7805 760592.3784 6.2244 5.9457 PRESSURE: 2486800 298.651 -253.963 -104.089 -253.964 342.418 53.2192 -104.089 53.2186 179.825 GPRESSURE: 2486800 386.58 -133.662 -89.9596 -229.874 409.77 25.8103 36.6342 6.26376 107.127 PRESSAVG: 2486800 -2.10386 -16.589 4.87901 -16.589 -12.8895 -36.1468 4.87902 -36.1468 -24.0276 GPRESSAVG: 2486800 -3.77076 -19.0296 6.02149 -15.2227 -10.028 -37.7169 6.25725 -34.4308 -25.1983 TIMING: 2486800 CPU: 7933.25, 0.00312739/step Wall: 7933.25, 0.00312739/step, 2.18327 hours remaining, 240.550781 MB of memory in use. ENERGY: 2486800 4008.5971 20556.5388 14494.2398 246.8134 -204133.8374 3111.6095 0.0000 0.0000 52095.3826 -109620.6562 299.3929 -161716.0388 -109260.3049 298.9994 273.6311 301.1591 760135.4807 -13.0070 -12.9990 PRESSURE: 2487000 159.009 171.661 206.088 171.661 116.43 85.0143 206.089 85.0141 -246.094 GPRESSURE: 2487000 172.991 59.394 182.876 79.3105 209.117 138.061 160.015 67.2625 -256.926 PRESSAVG: 2487000 44.9508 -26.5003 28.3855 -26.5004 6.2127 20.8009 28.3855 20.801 27.2847 GPRESSAVG: 2487000 45.8585 -25.7456 27.1729 -26.0071 6.09442 18.9394 25.4207 19.3656 26.9801 TIMING: 2487000 CPU: 7933.87, 0.00310889/step Wall: 7933.87, 0.00310889/step, 2.17018 hours remaining, 240.550781 MB of memory in use. ENERGY: 2487000 3942.2184 20573.8398 14443.9276 227.4575 -203326.5804 2625.9621 0.0000 0.0000 51893.7181 -109619.4570 298.2339 -161513.1751 -109249.2112 298.4985 9.7814 41.7274 761459.5496 26.1494 26.3110 PRESSURE: 2487200 -42.6542 -15.253 179.481 -15.2534 160.174 -51.2045 179.481 -51.204 -162.293 GPRESSURE: 2487200 27.5027 48.9833 140.107 12.9523 119.211 63.8039 105.895 -18.2316 -109.46 PRESSAVG: 2487200 -55.0098 -61.9876 20.9732 -61.9876 37.918 -23.5107 20.9732 -23.5107 13.6596 GPRESSAVG: 2487200 -56.7126 -62.8584 22.1354 -62.311 38.5761 -23.2593 20.5052 -19.7128 14.1463 TIMING: 2487200 CPU: 7934.5, 0.00311306/step Wall: 7934.5, 0.00311306/step, 2.17292 hours remaining, 240.550781 MB of memory in use. ENERGY: 2487200 3954.2162 20491.2016 14577.0296 241.8437 -203299.0762 2488.1363 0.0000 0.0000 51982.8943 -109563.7545 298.7464 -161546.6488 -109196.3541 298.3280 -14.9242 12.4178 760956.8355 -1.1440 -1.3301 PRESSURE: 2487400 -71.3789 -81.3523 -53.2301 -81.3525 -375.705 62.5898 -53.231 62.5904 -77.2973 GPRESSURE: 2487400 19.4029 -112.788 14.063 -42.9996 -327.085 25.9894 -121.254 70.1257 -128.017 PRESSAVG: 2487400 -7.07819 -51.4823 22.6495 -51.4824 -4.88991 -34.0192 22.6495 -34.0192 -14.3676 GPRESSAVG: 2487400 -6.22137 -52.3007 21.2399 -49.528 -5.88454 -32.9117 24.3681 -36.9361 -14.6045 TIMING: 2487400 CPU: 7935.12, 0.00312141/step Wall: 7935.12, 0.00312141/step, 2.17857 hours remaining, 240.550781 MB of memory in use. ENERGY: 2487400 3997.0405 20533.4491 14476.9024 247.0338 -203183.1894 2417.6531 0.0000 0.0000 51991.9802 -109519.1302 298.7986 -161511.1104 -109163.3014 298.8533 -174.7937 -145.2330 760350.6302 -8.7786 -8.9035 PRESSURE: 2487600 124.874 -126.67 102.638 -126.669 200.241 154.506 102.637 154.506 -187.075 GPRESSURE: 2487600 130.723 -12.4282 174.895 -147.39 103.384 116.622 188.93 72.2923 -16.9874 PRESSAVG: 2487600 -4.28814 -25.3875 63.9913 -25.3874 25.5646 12.8266 63.9912 12.8265 5.70194 GPRESSAVG: 2487600 -3.84645 -24.7309 65.352 -26.9153 25.0961 10.9759 63.5781 15.0658 5.73822 TIMING: 2487600 CPU: 7935.74, 0.00311589/step Wall: 7935.74, 0.00311589/step, 2.17455 hours remaining, 240.550781 MB of memory in use. ENERGY: 2487600 4053.5672 20522.9136 14471.5111 251.6533 -203703.5062 2900.0492 0.0000 0.0000 51922.0210 -109581.7908 298.3966 -161503.8118 -109221.9016 298.5874 46.0130 72.3731 761114.1742 8.9928 8.9959 PRESSURE: 2487800 -242.289 -106.938 -4.52631 -106.938 327.694 40.5695 -4.52694 40.5696 418.829 GPRESSURE: 2487800 -152.964 -192.016 29.6558 62.1871 344.09 26.5159 -58.2509 62.8917 384.477 PRESSAVG: 2487800 -56.4133 -66.7764 30.8428 -66.7765 -4.73862 -29.7673 30.8428 -29.7673 -15.602 GPRESSAVG: 2487800 -57.448 -68.1315 29.0965 -66.0226 -4.25447 -26.7936 28.7317 -33.3621 -14.9423 TIMING: 2487800 CPU: 7936.37, 0.00313112/step Wall: 7936.37, 0.00313112/step, 2.185 hours remaining, 240.550781 MB of memory in use. ENERGY: 2487800 3963.5894 20545.4337 14523.2122 253.1525 -202929.9178 2285.8043 0.0000 0.0000 51779.2652 -109579.4606 297.5761 -161358.7257 -109208.9942 298.2447 168.0778 191.8677 762289.4087 -25.5847 -25.5483 PRESSURE: 2488000 178.643 -342.77 71.5306 -342.77 -127.531 -89.8347 71.5312 -89.8343 12.5856 GPRESSURE: 2488000 192.624 -353.129 138.145 -369.824 -29.2873 -80.9427 244.516 -138.049 -30.4821 PRESSAVG: 2488000 7.13875 -72.5556 0.74042 -72.5556 20.1664 -53.0038 0.740439 -53.0038 6.11507 GPRESSAVG: 2488000 9.42465 -70.9899 2.09523 -72.1015 20.6773 -53.7783 2.16648 -51.2035 3.44916 TIMING: 2488000 CPU: 7936.99, 0.00311759/step Wall: 7936.99, 0.00311759/step, 2.17538 hours remaining, 240.550781 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: 2488000 4037.8493 20424.6623 14468.3028 246.4010 -203559.6260 2718.3614 0.0000 0.0000 52042.5923 -109621.4569 299.0895 -161664.0492 -109261.3230 298.4487 21.2325 44.2849 761169.9303 11.1401 11.1837 PRESSURE: 2488200 -67.609 -217.499 -15.4104 -217.499 -331.41 -175.585 -15.4097 -175.585 -28.722 GPRESSURE: 2488200 20.1779 -264.147 -29.6152 -281.917 -281.681 -167.968 50.0001 -73.7864 -74.1772 PRESSAVG: 2488200 37.287 -60.5297 41.8359 -60.5297 5.75655 -42.2175 41.8358 -42.2174 5.12296 GPRESSAVG: 2488200 36.1588 -59.9269 41.8759 -62.3828 5.34668 -43.036 43.6573 -41.0314 6.52563 TIMING: 2488200 CPU: 7937.62, 0.00312088/step Wall: 7937.62, 0.00312088/step, 2.17751 hours remaining, 240.550781 MB of memory in use. ENERGY: 2488200 4019.9485 20439.1694 14443.2622 259.7477 -202933.3158 2168.2370 0.0000 0.0000 51884.6674 -109718.2836 298.1819 -161602.9510 -109348.9968 298.6665 -142.5804 -111.8935 760928.0188 16.0555 16.0104 LDB: ============= START OF LOAD BALANCING ============== 7950.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7950.07 LDB: =============== DONE WITH MIGRATION ================ 7950.07 LDB: ============= START OF LOAD BALANCING ============== 7950.38 LDB: Largest compute 7072 load 0.035234 is 18.0% of average load 0.195317 LDB: Average compute 0.004386 is 2.2% of average load 0.195317 LDB: TIME 7950.38 LOAD: AVG 0.195317 MAX 0.21352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 7950.38 LOAD: AVG 0.195317 MAX 0.21352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 7950.38 LOAD: AVG 0.195317 MAX 0.21352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 7950.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7950.39 PRESSURE: 2488400 130.265 33.4724 -197.809 33.4725 78.5122 -93.4183 -197.809 -93.4193 -67.1745 GPRESSURE: 2488400 244.254 78.4247 -163.419 -39.6735 -37.8848 -99.4097 -226.337 -104.739 -1.8607 PRESSAVG: 2488400 24.4591 -8.0301 50.0798 -8.03008 -24.0139 -87.3227 50.0798 -87.3227 2.62264 GPRESSAVG: 2488400 23.3755 -8.29046 50.6076 -6.23156 -23.5652 -88.1275 48.8341 -88.7877 2.8474 TIMING: 2488400 CPU: 7938.26, 0.00318382/step Wall: 7938.26, 0.00318382/step, 2.22124 hours remaining, 241.578125 MB of memory in use. ENERGY: 2488400 3985.0905 20592.3905 14493.3298 240.0163 -203095.6184 2321.0596 0.0000 0.0000 51848.7423 -109614.9894 297.9754 -161463.7317 -109265.0682 298.5315 47.2010 68.1694 759924.2473 1.0226 0.8859 PRESSURE: 2488600 135.16 229.991 -150.026 229.992 -327.75 -212.19 -150.025 -212.189 -89.9528 GPRESSURE: 2488600 166.469 167.935 -250.502 207.388 -239.11 -207.499 -130.309 -202.6 -128.788 PRESSAVG: 2488600 -20.4279 -45.0608 -0.840965 -45.0608 5.76094 -45.4731 -0.84103 -45.4731 8.07699 GPRESSAVG: 2488600 -19.4442 -45.5895 -1.75869 -47.9794 4.46502 -43.45 -0.691329 -44.0445 8.52549 TIMING: 2488600 CPU: 7938.88, 0.00312853/step Wall: 7938.88, 0.00312853/step, 2.1825 hours remaining, 241.644531 MB of memory in use. ENERGY: 2488600 4000.7815 20598.4415 14467.1314 243.3915 -202930.7212 2281.1623 0.0000 0.0000 51770.1335 -109569.6796 297.5237 -161339.8131 -109207.5465 298.8734 -94.1808 -67.1432 761680.3909 -2.1967 -2.1512 PRESSURE: 2488800 179.106 -302.937 -232.168 -302.937 158.096 137.025 -232.167 137.025 30.64 GPRESSURE: 2488800 183.978 -306.433 -225.279 -188.254 246.993 187.837 -195.864 111.892 42.0176 PRESSAVG: 2488800 -19.3241 -29.8234 -8.65022 -29.8234 -17.9934 14.617 -8.65018 14.617 15.725 GPRESSAVG: 2488800 -20.6414 -29.0922 -7.93909 -28.9618 -16.7001 14.0612 -10.526 13.7302 15.5074 TIMING: 2488800 CPU: 7939.5, 0.00311376/step Wall: 7939.5, 0.00311376/step, 2.17202 hours remaining, 241.644531 MB of memory in use. ENERGY: 2488800 4041.9686 20408.5092 14409.7283 256.9750 -203587.2984 2641.2177 0.0000 0.0000 52319.8280 -109509.0716 300.6828 -161828.8996 -109138.3282 299.2418 122.6139 157.6629 760042.9816 -7.1975 -7.2780 PRESSURE: 2489000 176.567 144.312 75.3841 144.312 241.787 -35.7355 75.3851 -35.7359 56.5 GPRESSURE: 2489000 293.5 207.015 -39.7145 169.833 179.834 -37.855 232.401 -63.7617 76.342 PRESSAVG: 2489000 42.2959 -28.9331 -46.2122 -28.9332 -24.0558 -3.93019 -46.2123 -3.93024 -22.6091 GPRESSAVG: 2489000 43.2107 -28.3563 -44.9663 -27.0737 -24.531 -4.96876 -44.7482 -4.15413 -23.4429 TIMING: 2489000 CPU: 7940.13, 0.00312509/step Wall: 7940.13, 0.00312509/step, 2.17975 hours remaining, 241.644531 MB of memory in use. ENERGY: 2489000 4009.9107 20611.8127 14437.2568 231.5820 -203460.9676 2499.0636 0.0000 0.0000 52128.7969 -109542.5449 299.5849 -161671.3418 -109182.5007 299.1645 158.2845 183.2254 761301.4462 -1.4563 -1.5877 PRESSURE: 2489200 51.7407 161.735 32.9783 161.735 -197.033 146.098 32.9781 146.098 515.869 GPRESSURE: 2489200 106.37 119.606 15.1564 110.59 -160.193 177.221 -39.3736 6.78152 519.4 PRESSAVG: 2489200 15.2077 -21.9768 -4.32933 -21.9768 -10.084 -3.01917 -4.32931 -3.01913 -15.2344 GPRESSAVG: 2489200 15.4303 -23.747 -5.55844 -23.4176 -9.12107 -4.03666 -4.63129 -3.3951 -16.341 TIMING: 2489200 CPU: 7940.75, 0.00312853/step Wall: 7940.75, 0.00312853/step, 2.18198 hours remaining, 241.644531 MB of memory in use. ENERGY: 2489200 3920.2788 20732.1029 14391.5539 254.1652 -203796.6292 2792.9806 0.0000 0.0000 52173.0883 -109532.4595 299.8395 -161705.5478 -109170.7899 298.6152 123.5254 155.1926 762827.3390 -3.3702 -3.3439 PRESSURE: 2489400 -301.196 -27.1434 93.114 -27.1436 38.1871 -125.503 93.1139 -125.503 -248.289 GPRESSURE: 2489400 -229.974 8.41715 84.968 63.8826 118.542 -8.1439 127.102 -193.122 -318.091 PRESSAVG: 2489400 1.93977 -52.326 2.85453 -52.326 11.081 1.16235 2.85448 1.16233 -10.1256 GPRESSAVG: 2489400 1.69765 -52.0995 3.2254 -51.201 9.85206 3.03821 0.857468 2.34118 -8.36364 TIMING: 2489400 CPU: 7941.38, 0.00312695/step Wall: 7941.38, 0.00312695/step, 2.1807 hours remaining, 241.644531 MB of memory in use. ENERGY: 2489400 4067.3487 20542.6078 14468.8323 249.7038 -203389.8464 2545.8667 0.0000 0.0000 51983.0750 -109532.4120 298.7474 -161515.4870 -109168.8291 299.4421 -170.4329 -143.1745 762846.0987 0.9650 1.0620 PRESSURE: 2489600 -216.43 -113.765 92.1879 -113.765 -217.467 -45.8445 92.1876 -45.8443 -489.695 GPRESSURE: 2489600 -259.028 -72.0303 85.9142 -240.431 -158.392 -59.0726 45.7455 -119.558 -439.984 PRESSAVG: 2489600 11.5959 -85.9723 6.97426 -85.9722 -24.641 -39.8155 6.9743 -39.8156 -12.2936 GPRESSAVG: 2489600 10.7388 -84.2202 8.21248 -85.3813 -24.7463 -40.8744 7.21839 -41.7057 -11.8916 TIMING: 2489600 CPU: 7942.01, 0.00313033/step Wall: 7942.01, 0.00313033/step, 2.18288 hours remaining, 241.644531 MB of memory in use. ENERGY: 2489600 4019.3294 20779.4939 14505.6177 249.6280 -203448.9150 2377.3882 0.0000 0.0000 51970.9462 -109546.5116 298.6777 -161517.4578 -109189.4313 299.2095 -307.8639 -285.8013 761488.1230 -8.4463 -8.6331 PRESSURE: 2489800 -210.87 246.583 -67.9009 246.583 -249.55 -186.246 -67.9015 -186.246 196.361 GPRESSURE: 2489800 -213.984 183.463 -42.2002 214.346 -198.898 -174.959 -52.1295 -135.157 230.724 PRESSAVG: 2489800 45.1884 -54.8907 -17.5337 -54.8907 -12.0923 18.9963 -17.5337 18.9963 13.027 GPRESSAVG: 2489800 46.2071 -55.5613 -18.7842 -55.6299 -11.6281 18.3332 -14.4523 21.118 11.9741 TIMING: 2489800 CPU: 7942.63, 0.00313059/step Wall: 7942.63, 0.00313059/step, 2.18289 hours remaining, 241.644531 MB of memory in use. ENERGY: 2489800 4079.3139 20636.1760 14516.6924 256.6797 -203304.4585 2484.1266 0.0000 0.0000 51906.8727 -109424.5972 298.3095 -161331.4699 -109072.3952 299.3976 -88.0195 -60.7194 762099.7166 15.3744 15.5177 PRESSURE: 2490000 57.5017 1.82592 -45.4594 1.82737 -2.0358 150.67 -45.4597 150.67 406.456 GPRESSURE: 2490000 83.9837 -94.8848 -19.6035 32.8951 -30.753 156.407 -29.9868 131.42 490.228 PRESSAVG: 2490000 30.9845 -44.5061 61.0024 -44.506 5.65512 -18.1307 61.0024 -18.1307 12.0292 GPRESSAVG: 2490000 31.2181 -45.5314 61.4007 -45.0113 5.27134 -17.3997 59.2726 -18.4773 11.7076 TIMING: 2490000 CPU: 7943.26, 0.0031245/step Wall: 7943.26, 0.0031245/step, 2.17847 hours remaining, 241.644531 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: 2490000 3969.7802 20634.5054 14566.1312 249.0365 -203742.6885 2949.3873 0.0000 0.0000 51889.8564 -109483.9915 298.2117 -161373.8479 -109124.6611 299.1773 153.9741 181.1527 761621.0980 16.2229 16.0657 PRESSURE: 2490200 -124.29 356.439 129.651 356.438 326.701 121.664 129.652 121.663 16.8775 GPRESSURE: 2490200 -45.153 335.186 98.9345 212.992 304.229 186.277 210.759 116.492 41.4009 PRESSAVG: 2490200 15.6385 -45.6831 41.2788 -45.683 -16.145 -35.0883 41.2787 -35.0884 10.4692 GPRESSAVG: 2490200 14.8662 -46.8077 41.2959 -44.7093 -16.403 -35.2017 41.4282 -35.283 11.1864 TIMING: 2490200 CPU: 7943.89, 0.00315625/step Wall: 7943.89, 0.00315625/step, 2.20043 hours remaining, 241.644531 MB of memory in use. ENERGY: 2490200 3993.6460 20606.9525 14502.4304 242.9552 -203521.5367 2583.3697 0.0000 0.0000 51972.8176 -109619.3653 298.6885 -161592.1828 -109260.1073 299.0390 73.0961 100.1590 761018.8451 3.3209 3.2165 PRESSURE: 2490400 37.9303 110.831 62.5394 110.83 -285.362 -42.8344 62.5391 -42.8345 -177.351 GPRESSURE: 2490400 -23.9866 65.4818 22.1778 112.381 -185.864 -7.34462 45.6567 -39.8634 -137.142 PRESSAVG: 2490400 10.2848 24.5676 61.9496 24.5677 -23.4766 -6.65467 61.9496 -6.6546 18.0446 GPRESSAVG: 2490400 10.4673 25.6391 61.6538 25.4944 -23.3167 -6.90706 63.7513 -7.89918 17.4928 TIMING: 2490400 CPU: 7944.52, 0.00313948/step Wall: 7944.52, 0.00313948/step, 2.18857 hours remaining, 241.644531 MB of memory in use. ENERGY: 2490400 4064.7609 20600.2390 14515.1435 252.8515 -203599.5315 2522.9711 0.0000 0.0000 52301.2395 -109342.3260 300.5759 -161643.5655 -108976.0444 299.3109 -141.5944 -115.6642 760325.9547 1.6176 1.5478 PRESSURE: 2490600 -225.661 66.2431 -205.66 66.2429 -93.794 -238.929 -205.66 -238.929 -212.747 GPRESSURE: 2490600 -168.929 -9.41367 -172.785 -64.3803 -47.7793 -224.927 -345.381 -186.433 -231.929 PRESSAVG: 2490600 10.6426 3.89606 41.4808 3.89603 -1.6876 -17.0179 41.4808 -17.0179 -36.5733 GPRESSAVG: 2490600 10.2109 2.97931 39.2461 0.612261 -1.91467 -16.1243 38.053 -15.8709 -36.2027 TIMING: 2490600 CPU: 7945.14, 0.0031178/step Wall: 7945.14, 0.0031178/step, 2.17328 hours remaining, 241.644531 MB of memory in use. ENERGY: 2490600 3973.1493 20667.6864 14449.2922 259.7772 -203208.5195 2338.4357 0.0000 0.0000 52077.4204 -109442.7584 299.2897 -161520.1788 -109079.7311 299.7923 -177.4005 -149.5458 761497.7995 -9.2061 -9.3021 PRESSURE: 2490800 22.3175 -159.523 40.3204 -159.524 194.29 -204.852 40.3205 -204.852 330.351 GPRESSURE: 2490800 50.4844 -106.99 -77.1663 -106.232 257.837 -285.463 84.0776 -43.4207 317.901 PRESSAVG: 2490800 43.1971 -3.08693 31.5313 -3.08688 -57.2514 -56.302 31.5312 -56.3019 -9.95056 GPRESSAVG: 2490800 42.2765 -0.955478 33.7092 -2.54378 -58.2724 -56.6923 33.4396 -55.6889 -8.97626 TIMING: 2490800 CPU: 7945.76, 0.00312585/step Wall: 7945.76, 0.00312585/step, 2.17872 hours remaining, 241.644531 MB of memory in use. ENERGY: 2490800 4020.0688 20495.7939 14516.2180 245.1287 -203683.5400 3092.8257 0.0000 0.0000 52071.0295 -109242.4753 299.2529 -161313.5048 -108877.1094 299.3777 182.3193 208.7408 761571.5257 -8.0016 -8.3240 PRESSURE: 2491000 -175.577 136.695 75.3721 136.695 -51.7914 -39.3116 75.3719 -39.3109 13.5893 GPRESSURE: 2491000 -135.635 155.534 21.6757 111.595 -22.3937 -157.431 19.9199 -151.699 28.9051 PRESSAVG: 2491000 87.1439 -3.08372 49.7979 -3.08368 -80.5315 -3.58296 49.7979 -3.58295 -2.73673 GPRESSAVG: 2491000 86.5791 -5.77749 49.0388 0.796128 -78.7823 -4.48175 50.7745 -5.51 -3.91385 TIMING: 2491000 CPU: 7946.39, 0.00312772/step Wall: 7946.39, 0.00312772/step, 2.17985 hours remaining, 241.644531 MB of memory in use. ENERGY: 2491000 3951.7616 20637.6842 14520.8055 270.7554 -203277.7783 2472.5886 0.0000 0.0000 52281.8763 -109142.3067 300.4647 -161424.1829 -108780.2753 299.7837 -71.2596 -43.0413 761377.7271 1.2919 1.2943 PRESSURE: 2491200 -38.3992 -13.3906 -115.615 -13.3896 -249.22 9.87525 -115.615 9.87361 16.278 GPRESSURE: 2491200 -24.4401 33.2296 -126.555 -143.285 -213.942 51.2331 -4.9062 169.365 50.5567 PRESSAVG: 2491200 -19.3014 -4.77454 -9.08306 -4.77451 5.91488 -41.8218 -9.08311 -41.8218 17.5928 GPRESSAVG: 2491200 -18.5988 -3.50859 -9.64874 -7.72259 4.39703 -42.4811 -9.23165 -39.5102 18.0824 TIMING: 2491200 CPU: 7947.02, 0.00312946/step Wall: 7947.02, 0.00312946/step, 2.18089 hours remaining, 241.644531 MB of memory in use. ENERGY: 2491200 3982.3334 20482.1540 14469.2743 254.1675 -203188.1352 2487.1329 0.0000 0.0000 52194.3721 -109318.7010 299.9618 -161513.0731 -108957.9190 299.5522 -90.4469 -62.6085 762933.5342 1.4021 1.2935 PRESSURE: 2491400 -153.358 51.0696 40.3947 51.069 -123.015 -125.158 40.3941 -125.157 -206.776 GPRESSURE: 2491400 -87.6156 -72.792 83.7717 126.81 -62.5711 -55.3189 3.56014 -258.208 -240.423 PRESSAVG: 2491400 32.2493 -1.93664 28.22 -1.93655 -48.2271 -47.0463 28.22 -47.0462 1.35803 GPRESSAVG: 2491400 31.4169 -3.98441 28.7884 -0.135911 -46.3559 -46.4509 28.551 -47.9547 0.741837 TIMING: 2491400 CPU: 7947.64, 0.00312345/step Wall: 7947.64, 0.00312345/step, 2.17652 hours remaining, 241.644531 MB of memory in use. ENERGY: 2491400 4037.8905 20392.1206 14429.2437 252.7627 -202927.7094 2454.8131 0.0000 0.0000 52001.3956 -109359.4832 298.8527 -161360.8788 -108997.3857 299.0268 -161.0497 -130.2034 764111.7238 -4.8732 -4.7324 PRESSURE: 2491600 9.10077 57.0657 -42.8291 57.065 -3.94619 147.202 -42.8294 147.202 145.241 GPRESSURE: 2491600 49.4348 91.2631 -66.3743 5.55658 64.2207 144.067 -92.0742 150.94 127.852 PRESSAVG: 2491600 -2.03265 -50.369 -39.5091 -50.369 8.46733 -29.0934 -39.5091 -29.0934 16.893 GPRESSAVG: 2491600 -0.223241 -48.8508 -39.0432 -52.7501 6.69707 -28.9808 -38.871 -29.6182 17.1153 TIMING: 2491600 CPU: 7948.27, 0.00313805/step Wall: 7948.27, 0.00313805/step, 2.18653 hours remaining, 241.644531 MB of memory in use. ENERGY: 2491600 3957.1481 20432.5816 14515.7815 235.3856 -203355.9564 2582.0588 0.0000 0.0000 52195.2332 -109437.7676 299.9667 -161633.0007 -109087.8429 299.0740 50.1320 80.5026 762407.8609 7.7759 7.8631 PRESSURE: 2491800 -223.327 -95.7514 54.428 -95.7505 -338.467 -142.954 54.428 -142.955 127.322 GPRESSURE: 2491800 -129.687 -130.035 84.0413 -93.7725 -276.27 -146.32 55.7724 -210.821 81.5021 PRESSAVG: 2491800 -4.66629 -38.5735 -67.7522 -38.5735 32.5412 -50.1847 -67.7522 -50.1847 -21.7397 GPRESSAVG: 2491800 -4.33945 -38.2741 -67.373 -39.3703 31.762 -50.0695 -69.2447 -52.0683 -21.1921 TIMING: 2491800 CPU: 7948.89, 0.00312316/step Wall: 7948.89, 0.00312316/step, 2.17598 hours remaining, 241.644531 MB of memory in use. ENERGY: 2491800 3924.3290 20411.9703 14490.1464 249.0299 -202944.3867 2370.6272 0.0000 0.0000 52005.2146 -109493.0693 298.8747 -161498.2839 -109131.3288 299.3800 -144.8241 -108.1516 763442.1170 2.0451 2.0768 PRESSURE: 2492000 -339.124 159.257 -163.856 159.256 85.6466 22.5688 -163.858 22.5681 -393.469 GPRESSURE: 2492000 -287.752 64.861 -76.0979 108.179 115.267 22.8351 -189.491 -110.526 -385.304 PRESSAVG: 2492000 10.4677 -80.1278 -2.72686 -80.1278 -3.93401 -64.6151 -2.72685 -64.6151 14.6197 GPRESSAVG: 2492000 9.29245 -80.9299 -2.64517 -79.4358 -2.87842 -63.3947 -0.783536 -63.6537 14.794 TIMING: 2492000 CPU: 7949.52, 0.00313/step Wall: 7949.52, 0.00313/step, 2.18056 hours remaining, 241.644531 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: 2492000 3998.2681 20551.3782 14471.8606 230.4559 -203347.6016 2579.1099 0.0000 0.0000 52008.5882 -109507.9408 298.8941 -161516.5290 -109141.9444 299.0656 -215.6490 -185.9296 760914.0020 7.0511 7.0693 PRESSURE: 2492200 171.854 -3.69754 142.316 -3.69712 -272.331 -25.3991 142.315 -25.399 -70.3103 GPRESSURE: 2492200 195.333 -43.8755 74.067 53.3842 -270.511 61.6861 79.5919 -95.4927 -5.42499 PRESSAVG: 2492200 -24.0052 4.5883 -57.7342 4.58833 30.1926 -67.6442 -57.7342 -67.6442 5.7721 GPRESSAVG: 2492200 -25.1584 4.63623 -59.3931 5.99821 32.6795 -69.3199 -59.8513 -68.4787 4.53482 TIMING: 2492200 CPU: 7950.15, 0.00314359/step Wall: 7950.15, 0.00314359/step, 2.18986 hours remaining, 241.644531 MB of memory in use. ENERGY: 2492200 3989.2376 20460.2765 14516.4298 235.5646 -203336.5325 2773.7951 0.0000 0.0000 52156.7617 -109204.4672 299.7456 -161361.2289 -108838.0335 299.3840 -56.9291 -26.8675 761511.2612 3.9865 4.0187 LDB: ============= START OF LOAD BALANCING ============== 7962.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7962.6 LDB: =============== DONE WITH MIGRATION ================ 7962.6 LDB: ============= START OF LOAD BALANCING ============== 7962.92 LDB: Largest compute 7026 load 0.037379 is 19.1% of average load 0.195227 LDB: Average compute 0.004402 is 2.3% of average load 0.195227 LDB: TIME 7962.92 LOAD: AVG 0.195227 MAX 0.215458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 7962.92 LOAD: AVG 0.195227 MAX 0.215458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 7962.92 LOAD: AVG 0.195227 MAX 0.215458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 7962.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7962.93 PRESSURE: 2492400 -101.599 104.537 -219.303 104.537 133.06 153.173 -219.303 153.173 -96.5019 GPRESSURE: 2492400 -93.0654 139.376 -243.476 87.5135 142.867 143.247 -105.352 120.219 -25.4607 PRESSAVG: 2492400 -11.6512 -7.69789 4.49549 -7.69789 44.0445 -41.1388 4.4954 -41.1388 16.1812 GPRESSAVG: 2492400 -12.0935 -6.95997 4.72794 -10.4246 43.1961 -41.15 6.66947 -40.0042 17.6386 TIMING: 2492400 CPU: 7950.79, 0.00321175/step Wall: 7950.79, 0.00321175/step, 2.23716 hours remaining, 241.832031 MB of memory in use. ENERGY: 2492400 4010.7411 20541.8796 14502.2868 262.2403 -203526.9855 2886.6323 0.0000 0.0000 52300.9073 -109022.2981 300.5740 -161323.2054 -108662.5255 299.6976 -21.6802 8.1136 762540.6405 16.1915 16.2471 PRESSURE: 2492600 -8.07999 64.2369 72.87 64.2369 -200.53 -97.7127 72.8694 -97.7122 -22.6936 GPRESSURE: 2492600 2.28636 -77.4847 -12.9471 114.266 -101.616 -76.7897 156.443 -80.2971 -50.62 PRESSAVG: 2492600 38.4802 -22.2762 -13.9007 -22.2761 -1.53666 -109.412 -13.9007 -109.412 8.1581 GPRESSAVG: 2492600 39.745 -23.2447 -13.5501 -21.7795 -2.40046 -109.62 -12.9192 -108.511 7.30889 TIMING: 2492600 CPU: 7951.42, 0.00316819/step Wall: 7951.42, 0.00316819/step, 2.20665 hours remaining, 242.035156 MB of memory in use. ENERGY: 2492600 3950.0596 20584.9165 14554.4815 237.3686 -202900.0823 2531.9907 0.0000 0.0000 52149.1374 -108892.1280 299.7018 -161041.2653 -108539.5595 300.1219 -77.1012 -49.9833 763819.2738 15.0339 14.8845 PRESSURE: 2492800 104.748 36.563 162.056 36.5631 -156.362 -18.0354 162.057 -18.035 34.5026 GPRESSURE: 2492800 92.7791 78.1621 94.7976 -27.9471 -65.7449 -77.243 80.6693 -19.7181 42.0401 PRESSAVG: 2492800 7.26331 -12.0812 34.7506 -12.0812 -27.8817 -65.2444 34.7506 -65.2444 2.21602 GPRESSAVG: 2492800 7.50828 -10.2398 35.6663 -10.1896 -28.3896 -66.7853 33.9403 -63.0377 2.47252 TIMING: 2492800 CPU: 7952.06, 0.00317116/step Wall: 7952.06, 0.00317116/step, 2.20854 hours remaining, 242.035156 MB of memory in use. ENERGY: 2492800 3982.5401 20450.4311 14490.1848 245.0980 -203068.6909 2559.1797 0.0000 0.0000 52295.9474 -109045.3097 300.5455 -161341.2571 -108687.2445 299.8046 -5.7040 23.0248 762851.0006 -6.1341 -6.1363 PRESSURE: 2493000 397.652 -119.278 43.0745 -119.278 -492.978 -58.6325 43.0742 -58.6333 99.1327 GPRESSURE: 2493000 303.814 -113.148 74.6731 34.8523 -346.651 -66.6579 128.841 -26.1293 141.492 PRESSAVG: 2493000 10.5167 6.43068 36.5099 6.4307 6.20325 7.64577 36.5099 7.64573 1.23782 GPRESSAVG: 2493000 10.7881 6.75791 36.8743 4.00502 4.95146 8.01197 36.404 6.0677 1.78469 TIMING: 2493000 CPU: 7952.69, 0.00314036/step Wall: 7952.69, 0.00314036/step, 2.18691 hours remaining, 242.035156 MB of memory in use. ENERGY: 2493000 4050.6568 20429.5808 14593.5797 241.8763 -202958.5167 2491.6458 0.0000 0.0000 52095.9499 -109055.2273 299.3961 -161151.1772 -108694.7147 299.7730 1.2690 32.8851 761590.6064 5.9859 5.8414 PRESSURE: 2493200 287.84 -160.894 176.05 -160.894 -74.1205 -150.136 176.051 -150.136 -69.3987 GPRESSURE: 2493200 190.587 -109.353 250.736 -87.656 33.4163 -109.867 122.922 -119.732 -5.34765 PRESSAVG: 2493200 28.418 20.7551 -23.3069 20.7551 -17.3908 -13.6679 -23.3068 -13.6679 23.8961 GPRESSAVG: 2493200 27.4404 20.3827 -23.5779 22.5696 -15.4645 -13.9242 -22.2355 -13.2269 22.8047 TIMING: 2493200 CPU: 7953.31, 0.00313131/step Wall: 7953.31, 0.00313131/step, 2.18043 hours remaining, 242.035156 MB of memory in use. ENERGY: 2493200 3979.1344 20513.9841 14523.3566 249.6958 -203244.2741 2589.2303 0.0000 0.0000 52143.5123 -109245.3607 299.6695 -161388.8730 -108872.1411 299.7406 48.1070 72.8852 762221.0144 11.6411 11.5936 PRESSURE: 2493400 -238.083 153.637 -133.579 153.638 -37.6707 15.1103 -133.579 15.1104 -90.4597 GPRESSURE: 2493400 -95.154 165.868 -102.683 183.092 -119.725 127.463 -134.492 68.8691 -74.0304 PRESSAVG: 2493400 12.7023 -12.9422 -42.4816 -12.9422 -38.0708 -50.3341 -42.4816 -50.3342 2.5829 GPRESSAVG: 2493400 12.9186 -14.0544 -40.4414 -13.5294 -38.2954 -51.3424 -44.732 -48.6058 2.52121 TIMING: 2493400 CPU: 7953.94, 0.00312167/step Wall: 7953.94, 0.00312167/step, 2.17355 hours remaining, 242.035156 MB of memory in use. ENERGY: 2493400 3969.1362 20568.9024 14458.1292 241.4109 -203294.0663 2561.5531 0.0000 0.0000 52203.6679 -109291.2666 300.0152 -161494.9345 -108924.4146 299.4577 -122.0712 -96.3032 761508.2642 -7.5952 -7.6185 PRESSURE: 2493600 126.45 1.13817 56.8533 1.13847 146.16 -73.2475 56.8537 -73.2482 -165.946 GPRESSURE: 2493600 156.511 21.2923 88.2073 132.437 135.991 -60.595 25.2424 -211.04 -110.684 PRESSAVG: 2493600 8.54215 41.3878 18.115 41.3877 -8.81231 5.93307 18.1151 5.93311 5.12239 GPRESSAVG: 2493600 9.81573 43.0592 18.5239 41.8336 -9.93955 6.99411 16.2444 4.08631 5.67781 TIMING: 2493600 CPU: 7954.57, 0.00314123/step Wall: 7954.57, 0.00314123/step, 2.18699 hours remaining, 242.035156 MB of memory in use. ENERGY: 2493600 3888.1374 20716.5101 14458.2241 251.4650 -203203.1126 2514.6475 0.0000 0.0000 52077.6311 -109296.4974 299.2909 -161374.1286 -108925.4907 299.4289 35.5545 60.6060 760695.5350 1.6174 1.8513 PRESSURE: 2493800 -45.98 26.1212 74.4496 26.1212 579.142 276.825 74.45 276.824 -81.7165 GPRESSURE: 2493800 67.6434 -25.0547 74.9275 149.523 535.788 265.435 8.92552 122.637 -72.9658 PRESSAVG: 2493800 2.05389 -12.0429 -16.7444 -12.0429 7.74295 6.01843 -16.7444 6.01837 -7.77255 GPRESSAVG: 2493800 2.45967 -11.3196 -19.0298 -13.534 7.62948 7.48318 -14.649 3.84322 -8.05508 TIMING: 2493800 CPU: 7955.19, 0.00313657/step Wall: 7955.19, 0.00313657/step, 2.18357 hours remaining, 242.035156 MB of memory in use. ENERGY: 2493800 4009.6910 20508.3097 14467.9594 264.1636 -203655.0135 2925.1662 0.0000 0.0000 52088.1960 -109391.5277 299.3516 -161479.7237 -109031.2013 299.4173 150.4818 176.8220 761616.7317 0.6748 0.6780 PRESSURE: 2494000 -47.5157 -194.563 -17.1293 -194.562 -290.272 190.873 -17.1296 190.874 276.809 GPRESSURE: 2494000 29.3231 -171.916 -118.975 -215.553 -243.977 109.785 15.9474 190.401 242.461 PRESSAVG: 2494000 -12.4113 -35.9599 -38.0113 -35.96 -27.7365 -67.3573 -38.0113 -67.3573 11.7015 GPRESSAVG: 2494000 -13.7921 -36.2864 -38.4 -34.8662 -27.2952 -68.7696 -37.6856 -63.7624 11.9479 TIMING: 2494000 CPU: 7955.82, 0.00311458/step Wall: 7955.82, 0.00311458/step, 2.1681 hours remaining, 242.035156 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: 2494000 3936.0552 20484.3427 14444.7901 220.8859 -203407.1124 2784.6154 0.0000 0.0000 52003.8344 -109532.5887 298.8668 -161536.4231 -109175.4395 299.3467 -20.3260 9.2691 762675.9573 -9.4821 -9.7131 PRESSURE: 2494200 71.5665 -50.0601 127.182 -50.0607 190.786 -96.7801 127.182 -96.78 -279.175 GPRESSURE: 2494200 65.1374 -19.4526 154.201 -114.942 218.801 -47.1513 103.024 -140.718 -206.92 PRESSAVG: 2494200 12.9954 -27.6795 -35.2537 -27.6795 -50.2591 -22.0515 -35.2537 -22.0514 -23.6774 GPRESSAVG: 2494200 13.7771 -28.1545 -35.2918 -28.4114 -51.5343 -22.4139 -34.2013 -24.7427 -23.4824 TIMING: 2494200 CPU: 7956.44, 0.0031337/step Wall: 7956.44, 0.0031337/step, 2.18123 hours remaining, 242.035156 MB of memory in use. ENERGY: 2494200 4010.4432 20317.7207 14482.7829 231.2040 -203386.3552 2785.4351 0.0000 0.0000 52107.8997 -109450.8695 299.4648 -161558.7693 -109092.1927 299.2847 -5.6076 25.6728 762700.1335 -20.3137 -20.4132 PRESSURE: 2494400 124.208 -178.51 94.4105 -178.509 226.1 -55.0482 94.4099 -55.046 -123.337 GPRESSURE: 2494400 163.88 -99.2992 83.9841 -268.661 278.14 -120.085 -32.3585 76.6668 -126.952 PRESSAVG: 2494400 18.2542 5.12838 19.2906 5.12846 -30.0272 -17.4101 19.2907 -17.4101 -7.89103 GPRESSAVG: 2494400 19.2456 3.61834 19.6893 4.4801 -29.5263 -17.4998 18.1828 -16.3937 -9.39909 TIMING: 2494400 CPU: 7957.07, 0.00315279/step Wall: 7957.07, 0.00315278/step, 2.19434 hours remaining, 242.035156 MB of memory in use. ENERGY: 2494400 3951.4846 20551.5043 14403.7971 243.2925 -203400.8717 2939.2841 0.0000 0.0000 51866.9836 -109444.5254 298.0803 -161311.5090 -109085.8224 298.8997 75.6570 105.0227 762636.4633 -6.5547 -6.5599 PRESSURE: 2494600 233.052 46.3988 243.056 46.3995 -35.7797 -50.9102 243.055 -50.91 -152.242 GPRESSURE: 2494600 269.925 -21.3232 244.993 -8.56608 -44.7778 -78.7552 245.55 57.5923 -107.683 PRESSAVG: 2494600 -36.0093 -19.2029 16.3439 -19.2029 39.2881 10.6483 16.3439 10.6483 -10.1813 GPRESSAVG: 2494600 -38.7576 -18.1002 15.3898 -17.9044 40.5887 11.1061 18.2955 10.2268 -9.06803 TIMING: 2494600 CPU: 7957.7, 0.00312748/step Wall: 7957.7, 0.00312748/step, 2.17656 hours remaining, 242.035156 MB of memory in use. ENERGY: 2494600 4017.0794 20359.9681 14492.3153 240.2946 -203427.4725 2537.6798 0.0000 0.0000 52319.2276 -109460.9076 300.6793 -161780.1353 -109090.7133 299.1209 15.0099 39.1548 761993.5972 -2.3008 -2.4123 PRESSURE: 2494800 -47.399 -78.5051 31.6806 -78.5052 -180.426 31.4307 31.6805 31.4299 89.6621 GPRESSURE: 2494800 -7.96513 -34.2654 209.788 -118.431 -115.694 34.2347 -3.02609 115.214 65.2546 PRESSAVG: 2494800 40.6925 -48.6173 18.0162 -48.6173 4.87457 -26.2272 18.0162 -26.2272 6.0054 GPRESSAVG: 2494800 41.7568 -47.7261 19.5177 -49.8303 4.99349 -24.3893 13.9425 -26.5268 5.24913 TIMING: 2494800 CPU: 7958.32, 0.00313247/step Wall: 7958.32, 0.00313247/step, 2.17985 hours remaining, 242.035156 MB of memory in use. ENERGY: 2494800 4021.6019 20433.3674 14461.8611 257.9356 -203276.2968 2708.5791 0.0000 0.0000 52014.3724 -109378.5793 298.9273 -161392.9518 -109014.6036 298.7681 -46.0543 -19.4683 761680.2170 17.1908 17.3331 PRESSURE: 2495000 170.882 73.9907 6.91483 73.9904 25.7094 89.5123 6.91504 89.5129 -594.719 GPRESSURE: 2495000 247.949 73.8387 -113.283 33.827 -32.2842 100.426 -10.6813 45.4647 -517.885 PRESSAVG: 2495000 6.41059 -65.9544 -25.317 -65.9544 -21.2047 -34.5742 -25.317 -34.5743 -8.23448 GPRESSAVG: 2495000 6.45832 -66.5384 -26.6939 -66.7168 -22.0222 -34.6255 -23.0578 -35.0864 -7.36478 TIMING: 2495000 CPU: 7958.95, 0.00314482/step Wall: 7958.95, 0.00314482/step, 2.18827 hours remaining, 242.035156 MB of memory in use. ENERGY: 2495000 4004.8964 20519.3534 14463.2259 253.0444 -203266.7744 2547.4466 0.0000 0.0000 52224.7023 -109254.1055 300.1361 -161478.8078 -108898.8055 299.2979 -132.7090 -100.7400 761975.6462 -7.6762 -7.6429 PRESSURE: 2495200 42.9062 -100.246 22.3743 -100.246 -61.5567 189.569 22.3749 189.568 287.435 GPRESSURE: 2495200 199.768 -161.225 -34.9821 -200.238 -21.0745 182.768 -3.2888 134.35 164.254 PRESSAVG: 2495200 -20.3804 -7.91304 -0.930902 -7.91303 -20.5566 29.4307 -0.930879 29.4307 28.0586 GPRESSAVG: 2495200 -20.8138 -7.78859 -0.772182 -6.94263 -19.1608 26.9063 -2.68978 30.5087 26.9456 TIMING: 2495200 CPU: 7959.58, 0.00313509/step Wall: 7959.58, 0.00313509/step, 2.18132 hours remaining, 242.035156 MB of memory in use. ENERGY: 2495200 4022.6805 20346.8877 14458.7641 232.8465 -203144.5010 2576.0764 0.0000 0.0000 52247.9926 -109259.2532 300.2699 -161507.2458 -108890.4446 299.5346 89.5949 114.3158 763455.4909 -4.2928 -4.3430 PRESSURE: 2495400 307.342 -137.852 47.7985 -137.852 117.598 -141.558 47.7975 -141.559 12.2556 GPRESSURE: 2495400 416.888 -122.369 29.1607 -119.457 45.0863 -168.072 16.6408 -188.698 58.8828 PRESSAVG: 2495400 71.9338 -2.51238 24.7922 -2.51242 -61.3843 -25.4471 24.7922 -25.4472 -2.10515 GPRESSAVG: 2495400 72.3316 -4.90279 24.2284 -1.81345 -62.9987 -24.2377 26.2588 -27.7579 -0.763898 TIMING: 2495400 CPU: 7960.21, 0.00312947/step Wall: 7960.21, 0.00312947/step, 2.17724 hours remaining, 242.035156 MB of memory in use. ENERGY: 2495400 3968.1747 20554.7977 14536.1172 256.5595 -203154.8069 2615.1851 0.0000 0.0000 51913.8606 -109310.1122 298.3497 -161223.9728 -108950.9930 299.4409 145.7319 173.6192 761385.6001 2.8148 2.8563 PRESSURE: 2495600 245.552 -41.3328 34.7448 -41.3329 -126.296 -171.471 34.7448 -171.472 -88.4735 GPRESSURE: 2495600 269.091 -50.6377 107.448 -52.8091 -132.919 -94.1226 81.6647 -65.1913 -20.5685 PRESSAVG: 2495600 35.2256 21.2658 61.6846 21.2658 -49.4864 -46.1307 61.6846 -46.1307 14.2258 GPRESSAVG: 2495600 35.5588 23.5575 62.0663 21.091 -48.4373 -47.2048 61.7298 -44.4476 13.0041 TIMING: 2495600 CPU: 7960.83, 0.00312888/step Wall: 7960.83, 0.00312888/step, 2.17665 hours remaining, 242.035156 MB of memory in use. ENERGY: 2495600 4068.3742 20588.0929 14454.7776 252.0484 -203363.3500 2745.5540 0.0000 0.0000 52006.5808 -109247.9223 298.8825 -161254.5030 -108881.5439 299.4706 10.2608 38.5344 764074.6769 -0.0117 0.0418 PRESSURE: 2495800 29.3344 -100.976 -189.143 -100.976 59.2699 -205.309 -189.143 -205.308 -228.467 GPRESSURE: 2495800 57.9558 -232.829 -237.103 -84.5988 101.035 -186.159 -138.53 -137.128 -208.99 PRESSAVG: 2495800 -10.6909 0.156611 1.85152 0.15661 8.01976 -7.08176 1.85154 -7.08196 14.0855 GPRESSAVG: 2495800 -10.5608 1.53868 1.01893 -3.24244 7.13482 -7.40793 1.0149 -5.81328 14.26 TIMING: 2495800 CPU: 7961.46, 0.00316027/step Wall: 7961.46, 0.00316027/step, 2.19832 hours remaining, 242.035156 MB of memory in use. ENERGY: 2495800 4102.2693 20521.3085 14453.6895 251.0087 -202985.5884 2478.1841 0.0000 0.0000 52065.2393 -109113.8892 299.2196 -161179.1284 -108740.9741 299.7150 -46.6210 -16.6662 762825.4920 3.8048 3.6114 PRESSURE: 2496000 -4.90963 80.2294 182.69 80.2294 60.3292 149.157 182.69 149.156 -510.378 GPRESSURE: 2496000 40.3734 56.4478 153.456 -22.5241 26.601 114.194 205.272 99.8214 -441.218 PRESSAVG: 2496000 56.8527 4.60459 3.16215 4.60453 1.30864 -42.8228 3.16212 -42.8228 3.00971 GPRESSAVG: 2496000 55.9512 2.53219 4.24485 7.4337 2.47366 -41.359 4.67129 -42.0821 3.29516 TIMING: 2496000 CPU: 7962.09, 0.0031281/step Wall: 7962.09, 0.0031281/step, 2.17577 hours remaining, 242.035156 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: 2496000 4055.3475 20565.3925 14484.1917 245.7778 -203468.1860 2779.0035 0.0000 0.0000 52177.4256 -109161.0475 299.8644 -161338.4731 -108795.7846 299.8038 -151.6527 -124.7479 761701.7943 20.3903 20.5733 PRESSURE: 2496200 -391.592 51.6945 -179.12 51.6944 -337.91 -109.355 -179.12 -109.355 -70.0233 GPRESSURE: 2496200 -327.954 102.272 -114.049 55.0408 -268.4 -142.801 -197.368 -180.607 -124.24 PRESSAVG: 2496200 56.0679 -15.7453 5.55452 -15.7453 -43.2142 -8.56905 5.55451 -8.569 -0.0122583 GPRESSAVG: 2496200 57.3336 -14.8358 5.77883 -16.4077 -43.8169 -9.71284 5.04617 -10.047 -0.719247 TIMING: 2496200 CPU: 7962.72, 0.0031323/step Wall: 7962.72, 0.0031323/step, 2.17852 hours remaining, 242.035156 MB of memory in use. ENERGY: 2496200 4104.6148 20441.7074 14439.4130 271.1422 -203216.9660 2288.8228 0.0000 0.0000 52338.2912 -109332.9745 300.7889 -161671.2657 -108970.3205 299.6771 -266.5087 -240.1978 762073.4572 4.2805 4.2658 LDB: ============= START OF LOAD BALANCING ============== 7975.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7975.17 LDB: =============== DONE WITH MIGRATION ================ 7975.17 LDB: ============= START OF LOAD BALANCING ============== 7975.49 LDB: Largest compute 7026 load 0.037550 is 19.2% of average load 0.195299 LDB: Average compute 0.004387 is 2.2% of average load 0.195299 LDB: TIME 7975.49 LOAD: AVG 0.195299 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 7975.49 LOAD: AVG 0.195299 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: TIME 7975.49 LOAD: AVG 0.195299 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: ============== END OF LOAD BALANCING =============== 7975.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7975.5 PRESSURE: 2496400 -148.523 102.687 -96.6588 102.687 108.965 -77.8498 -96.6593 -77.8493 208.75 GPRESSURE: 2496400 -96.4735 76.7474 -109.635 82.1905 101.795 -48.7743 -38.2087 -239.528 268.294 PRESSAVG: 2496400 56.5089 -12.8268 52.8968 -12.8267 -17.6639 -45.5995 52.8967 -45.5996 -6.01062 GPRESSAVG: 2496400 55.5125 -13.364 51.5336 -11.332 -17.6699 -45.071 53.7002 -48.0252 -5.2017 TIMING: 2496400 CPU: 7963.36, 0.00323469/step Wall: 7963.36, 0.00323469/step, 2.24955 hours remaining, 241.117188 MB of memory in use. ENERGY: 2496400 4062.6733 20562.9396 14426.3112 228.7578 -203570.8314 2832.4334 0.0000 0.0000 52219.6807 -109238.0355 300.1072 -161457.7162 -108878.9210 299.4703 56.3971 91.2050 761196.4514 10.9448 10.8803 PRESSURE: 2496600 215.767 183.441 274.802 183.441 -27.6437 -376.053 274.801 -376.052 314.529 GPRESSURE: 2496600 259.06 205.969 293.737 70.2674 -39.4865 -349.332 210.621 -329.662 342.563 PRESSAVG: 2496600 -33.5887 -34.7875 29.8758 -34.7874 -2.3602 -17.9066 29.8758 -17.9066 -7.32437 GPRESSAVG: 2496600 -33.6712 -35.9278 29.6631 -36.8096 -3.04839 -19.9712 28.0447 -14.4715 -7.14688 TIMING: 2496600 CPU: 7964, 0.0031635/step Wall: 7964, 0.0031635/step, 2.19986 hours remaining, 241.320312 MB of memory in use. ENERGY: 2496600 4033.5438 20470.5131 14526.1715 235.2796 -203198.3930 2489.3744 0.0000 0.0000 52113.1052 -109330.4054 299.4947 -161443.5106 -108962.6151 299.6241 167.5508 187.3788 761710.4415 -14.4244 -14.6222 PRESSURE: 2496800 236.51 -75.6214 149.525 -75.6208 23.7714 40.908 149.526 40.908 -335.269 GPRESSURE: 2496800 220.796 -9.22911 271.703 -64.0379 25.2288 65.4934 179.419 -15.9756 -244.772 PRESSAVG: 2496800 47.1735 -11.6398 28.4731 -11.6398 -13.1536 -24.2374 28.4731 -24.2373 1.31437 GPRESSAVG: 2496800 46.4732 -10.1966 29.306 -15.1657 -12.6495 -23.7873 28.2556 -24.299 1.73878 TIMING: 2496800 CPU: 7964.63, 0.00314504/step Wall: 7964.63, 0.00314504/step, 2.18685 hours remaining, 241.320312 MB of memory in use. ENERGY: 2496800 4011.1910 20563.5787 14494.4229 248.9455 -203305.6875 2648.2119 0.0000 0.0000 51882.9421 -109456.3955 298.1720 -161339.3376 -109096.9630 299.2833 -24.9959 0.4176 760763.0377 11.7781 11.8542 PRESSURE: 2497000 -205.888 -144.861 2.50604 -144.86 238.432 -92.3549 2.50513 -92.3554 385.74 GPRESSURE: 2497000 -58.7149 -228.326 -66.3586 -84.7064 179.516 -61.3738 -36.6528 -107.618 361.714 PRESSAVG: 2497000 31.6139 -37.47 29.1352 -37.47 -22.2724 -20.8772 29.1352 -20.8772 21.542 GPRESSAVG: 2497000 32.4181 -38.1206 28.3425 -35.078 -21.8443 -20.4697 28.6467 -21.9195 20.3418 TIMING: 2497000 CPU: 7965.25, 0.00311909/step Wall: 7965.25, 0.00311909/step, 2.16863 hours remaining, 241.320312 MB of memory in use. ENERGY: 2497000 4086.6701 20527.1754 14440.0360 232.6262 -203797.2904 2808.0598 0.0000 0.0000 52332.3108 -109370.4121 300.7545 -161702.7230 -109006.7559 299.3359 139.4279 160.8382 760924.4778 10.2945 10.3052 PRESSURE: 2497200 -264.78 -92.426 19.6667 -92.4255 -88.4816 96.4651 19.6675 96.4651 -87.5279 GPRESSURE: 2497200 -184.198 -122.534 -20.319 -148.324 -103.08 61.1049 28.677 -15.9069 -77.1982 PRESSAVG: 2497200 24.6774 -65.4844 -33.3038 -65.4844 -12.4391 2.33182 -33.3039 2.33183 8.69676 GPRESSAVG: 2497200 24.2138 -63.8017 -32.5036 -67.2199 -11.6893 2.53489 -33.6975 2.58843 8.99805 TIMING: 2497200 CPU: 7965.87, 0.00312286/step Wall: 7965.87, 0.00312286/step, 2.17108 hours remaining, 241.320312 MB of memory in use. ENERGY: 2497200 3943.5388 20555.3420 14518.9987 249.5687 -203297.3800 2486.0110 0.0000 0.0000 52271.5848 -109272.3359 300.4055 -161543.9207 -108905.0157 299.7669 -146.9298 -121.4921 761753.1631 6.9783 7.1742 PRESSURE: 2497400 -61.2224 -41.0563 -38.2274 -41.056 -612.662 -70.2385 -38.2271 -70.2381 -284.228 GPRESSURE: 2497400 -70.158 -35.7247 6.19506 -91.7167 -521.3 -33.2825 -20.9439 -13.9566 -297.12 PRESSAVG: 2497400 19.0817 -21.8965 22.1181 -21.8965 -23.6614 19.9226 22.1181 19.9226 7.74968 GPRESSAVG: 2497400 19.3478 -21.491 22.8779 -21.1996 -23.49 19.8955 21.4093 19.6354 7.60025 TIMING: 2497400 CPU: 7966.5, 0.00313568/step Wall: 7966.5, 0.00313568/step, 2.17982 hours remaining, 241.320312 MB of memory in use. ENERGY: 2497400 4012.1137 20564.1469 14548.1111 247.4050 -203472.5481 2298.6209 0.0000 0.0000 52100.0547 -109702.0958 299.4197 -161802.1505 -109342.9622 299.3402 -319.3707 -296.1928 760892.2523 1.0566 1.1527 PRESSURE: 2497600 -60.0936 -90.2055 -110.954 -90.2055 -178.674 -95.4516 -110.953 -95.4511 180.829 GPRESSURE: 2497600 -6.31623 20.5716 -73.9186 -22.0608 -127.957 -129.79 -148.59 -58.4587 158.772 PRESSAVG: 2497600 73.9346 -18.6395 -1.81462 -18.6395 -82.7138 -34.8889 -1.81466 -34.8889 -14.0008 GPRESSAVG: 2497600 74.3215 -21.3346 -3.69504 -15.867 -82.0567 -33.7025 -0.666184 -35.1129 -14.8811 TIMING: 2497600 CPU: 7967.13, 0.00312216/step Wall: 7967.13, 0.00312216/step, 2.17025 hours remaining, 241.320312 MB of memory in use. ENERGY: 2497600 3993.7512 20518.0748 14531.9317 246.8541 -203557.4775 2679.5978 0.0000 0.0000 51969.0054 -109618.2626 298.6666 -161587.2680 -109262.5437 299.1615 -19.3129 8.1663 761314.3308 -7.5933 -7.5388 PRESSURE: 2497800 383.804 207.69 -96.8988 207.688 -81.0251 -303.691 -96.8989 -303.693 73.9635 GPRESSURE: 2497800 365.717 190.298 -28.0616 86.6349 -48.486 -282.856 -20.6486 -228.351 135.619 PRESSAVG: 2497800 71.5218 -28.9732 2.24379 -28.9732 -69.1663 -10.2354 2.24375 -10.2355 3.60142 GPRESSAVG: 2497800 71.124 -27.175 3.52004 -30.7398 -69.2134 -11.154 1.66688 -9.2309 3.92905 TIMING: 2497800 CPU: 7967.75, 0.00313553/step Wall: 7967.75, 0.00313553/step, 2.17936 hours remaining, 241.320312 MB of memory in use. ENERGY: 2497800 3991.1705 20595.3773 14501.6449 235.9068 -203163.3867 2440.9307 0.0000 0.0000 51952.6461 -109445.7105 298.5726 -161398.3566 -109085.4365 299.5190 125.5809 150.9500 760288.8812 1.9856 1.9466 PRESSURE: 2498000 125.438 -191.412 -40.8306 -191.412 23.8096 440.53 -40.8304 440.531 -230.568 GPRESSURE: 2498000 199.148 -249.024 39.0044 -167.449 -45.7833 398.517 -58.4536 293.928 -151.709 PRESSAVG: 2498000 116.944 -15.117 -16.9776 -15.1171 -73.4614 12.3377 -16.9776 12.3378 13.2949 GPRESSAVG: 2498000 117.648 -15.2124 -17.4798 -17.7662 -74.5555 12.7454 -15.283 11.6021 13.5239 TIMING: 2498000 CPU: 7968.38, 0.00312768/step Wall: 7968.38, 0.00312768/step, 2.17374 hours remaining, 241.320312 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: 2498000 3959.3667 20383.7674 14500.1840 239.8618 -203069.4944 2488.9061 0.0000 0.0000 52039.4211 -109457.9873 299.0713 -161497.4084 -109085.2800 299.4599 -27.1068 0.5519 761201.0163 18.9259 18.8720 PRESSURE: 2498200 -144.194 -233.383 -156.067 -233.383 -165.508 27.3634 -156.066 27.3638 182.519 GPRESSURE: 2498200 -84.9615 -269.322 -141.675 -217.453 -175.429 13.1637 -67.4031 110.958 213.353 PRESSAVG: 2498200 34.9733 -59.9993 2.58005 -59.9993 -57.6057 25.2387 2.57995 25.2388 12.3317 GPRESSAVG: 2498200 35.5544 -59.5478 2.43844 -58.0763 -57.0907 22.8564 3.00565 26.5948 11.8299 TIMING: 2498200 CPU: 7969, 0.00313158/step Wall: 7969, 0.00313158/step, 2.17627 hours remaining, 241.320312 MB of memory in use. ENERGY: 2498200 3976.9088 20539.4390 14479.3915 224.3761 -202906.8602 2313.7519 0.0000 0.0000 52093.5354 -109279.4575 299.3823 -161372.9929 -108913.7029 299.1209 -42.3945 -15.6792 762195.6505 -3.4336 -3.2355 PRESSURE: 2498400 96.792 202.999 -347.887 202.997 -404.449 21.2941 -347.888 21.2939 -216.698 GPRESSURE: 2498400 45.9409 172.07 -306.252 233.712 -343.168 80.3363 -318.889 19.7697 -135.821 PRESSAVG: 2498400 31.4436 -14.2383 16.0724 -14.2383 -31.2656 -50.9837 16.0724 -50.9836 11.2744 GPRESSAVG: 2498400 30.3104 -14.4727 15.182 -14.9654 -32.7295 -46.664 14.2372 -52.4011 13.481 TIMING: 2498400 CPU: 7969.63, 0.00314368/step Wall: 7969.63, 0.00314368/step, 2.18451 hours remaining, 241.320312 MB of memory in use. ENERGY: 2498400 4000.3941 20606.5970 14560.1938 251.1898 -203314.0704 2673.9026 0.0000 0.0000 51989.1536 -109232.6393 298.7824 -161221.7930 -108872.3150 299.0399 -174.7850 -144.3492 762937.7192 3.8174 3.6873 PRESSURE: 2498600 -210.695 80.3365 -223.189 80.3373 56.9918 -83.6075 -223.189 -83.6074 -309.36 GPRESSURE: 2498600 -90.348 72.6939 -255.92 79.4069 50.2408 -38.2375 -98.4062 -273.683 -334.014 PRESSAVG: 2498600 33.1121 -44.8486 19.0137 -44.8486 -29.5545 1.58107 19.0136 1.58108 -3.02368 GPRESSAVG: 2498600 33.0135 -45.2587 19.114 -43.8847 -27.6332 -0.59288 21.4622 2.24412 -4.36838 TIMING: 2498600 CPU: 7970.26, 0.00314973/step Wall: 7970.26, 0.00314973/step, 2.18854 hours remaining, 241.320312 MB of memory in use. ENERGY: 2498600 4053.7332 20596.1821 14492.9863 246.3926 -203054.5745 2465.0140 0.0000 0.0000 52200.0639 -109000.2026 299.9945 -161200.2665 -108647.3588 299.5042 -154.3547 -124.7070 762140.6780 0.1780 0.3373 PRESSURE: 2498800 336.787 108.307 100.511 108.308 -189.119 -190.412 100.511 -190.412 -217.722 GPRESSURE: 2498800 312.08 100.435 73.0074 103.04 -96.4389 -52.3447 131.673 -380.918 -215.533 PRESSAVG: 2498800 56.8334 2.92196 -19.8907 2.9219 -26.091 -2.60864 -19.8907 -2.60863 -18.7271 GPRESSAVG: 2498800 57.7516 2.38558 -20.3642 2.66217 -26.297 -0.884785 -19.7538 -4.71104 -19.7397 TIMING: 2498800 CPU: 7970.89, 0.00312669/step Wall: 7970.89, 0.00312669/step, 2.17236 hours remaining, 241.320312 MB of memory in use. ENERGY: 2498800 4005.2303 20512.4120 14480.1917 247.7661 -203094.3768 2678.6216 0.0000 0.0000 52276.3025 -108893.8526 300.4326 -161170.1551 -108520.2319 300.0941 -23.3514 0.0358 761940.4886 4.0051 3.9050 PRESSURE: 2499000 110.865 3.86092 87.2481 3.86068 -243.28 -68.7182 87.2469 -68.7171 -87.3184 GPRESSURE: 2499000 60.9386 116.385 20.7806 68.7146 -183.761 -105.624 -46.8555 -113.241 -22.848 PRESSAVG: 2499000 72.13 -24.0183 46.1515 -24.0183 -21.6942 6.74381 46.1515 6.74383 16.4808 GPRESSAVG: 2499000 72.0553 -22.0167 46.6986 -22.1508 -22.2993 5.10834 44.5783 8.52438 17.3675 TIMING: 2499000 CPU: 7971.51, 0.00312276/step Wall: 7971.51, 0.00312276/step, 2.16945 hours remaining, 241.320312 MB of memory in use. ENERGY: 2499000 3998.1002 20524.0768 14548.5428 230.0471 -202872.5166 2349.4908 0.0000 0.0000 52426.1575 -108796.1014 301.2938 -161222.2589 -108424.3761 300.4667 -73.2443 -48.5568 762438.2795 22.3055 22.3745 PRESSURE: 2499200 -257.689 31.7774 359.15 31.7778 -152.008 -17.2931 359.15 -17.2942 -217.734 GPRESSURE: 2499200 -296.503 7.66131 294.414 165.017 -122.264 -13.4733 135.239 56.9457 -138.014 PRESSAVG: 2499200 50.4113 -22.3956 64.585 -22.3955 -53.1258 13.4629 64.585 13.4629 26.3954 GPRESSAVG: 2499200 48.885 -22.352 64.6396 -24.4949 -52.2254 12.5176 61.4161 12.3061 26.4823 TIMING: 2499200 CPU: 7972.14, 0.00313958/step Wall: 7972.14, 0.00313958/step, 2.18096 hours remaining, 241.320312 MB of memory in use. ENERGY: 2499200 4045.2391 20662.5478 14507.6785 237.7194 -202997.6842 2399.8754 0.0000 0.0000 52319.9504 -108824.6736 300.6835 -161144.6241 -108459.1985 300.4830 -209.1435 -185.5935 763269.8016 7.8937 7.7140 PRESSURE: 2499400 19.6547 179.502 -386.086 179.503 -369.059 -104.861 -386.086 -104.86 -352.794 GPRESSURE: 2499400 77.0574 154.624 -375.696 178.126 -353.112 -51.0094 -354.004 -221.322 -335.496 PRESSAVG: 2499400 47.0653 15.5916 7.4827 15.5915 -65.4237 12.7255 7.48266 12.7254 2.16844 GPRESSAVG: 2499400 48.1467 13.3675 6.68439 16.2281 -66.2146 12.7902 11.2633 15.618 2.12716 TIMING: 2499400 CPU: 7972.77, 0.00315241/step Wall: 7972.77, 0.00315241/step, 2.1897 hours remaining, 241.320312 MB of memory in use. ENERGY: 2499400 3987.4419 20545.5024 14512.0977 240.1612 -203146.9316 2587.5844 0.0000 0.0000 52286.3556 -108987.7885 300.4904 -161274.1441 -108622.9531 300.5535 -234.0659 -203.8503 762908.3506 -5.3967 -5.3136 PRESSURE: 2499600 1.81443 -70.3504 -133.09 -70.3503 -119.269 88.9228 -133.09 88.9229 -9.13184 GPRESSURE: 2499600 -21.6566 -63.1624 -116.159 70.2462 -7.91695 71.4698 -68.8053 67.4008 -20.1295 PRESSAVG: 2499600 48.3385 -5.55172 -20.0276 -5.55172 -28.3037 25.3708 -20.0276 25.3708 -21.5594 GPRESSAVG: 2499600 47.3343 -3.2583 -19.0358 -6.44673 -27.3331 27.3646 -20.6072 24.044 -21.722 TIMING: 2499600 CPU: 7973.4, 0.00315839/step Wall: 7973.4, 0.00315839/step, 2.19368 hours remaining, 241.320312 MB of memory in use. ENERGY: 2499600 3992.9450 20337.1953 14411.9313 246.0379 -202575.7092 2338.5760 0.0000 0.0000 52193.5570 -109055.4666 299.9571 -161249.0236 -108685.3852 300.0528 -42.1954 -16.5677 762397.9796 -0.5082 -0.5736 PRESSURE: 2499800 20.2944 -179.603 24.752 -179.602 -24.3754 184.123 24.7523 184.122 -359.791 GPRESSURE: 2499800 13.8998 -142.124 74.3714 -137.359 29.1707 130.313 119.728 224.74 -329.865 PRESSAVG: 2499800 26.8624 -36.8868 -20.0112 -36.8868 -33.6211 7.03679 -20.0112 7.03678 26.0717 GPRESSAVG: 2499800 27.88 -37.3182 -19.9929 -35.9266 -35.0985 7.67261 -18.9316 8.4479 26.1354 TIMING: 2499800 CPU: 7974.04, 0.00318076/step Wall: 7974.04, 0.00318076/step, 2.20904 hours remaining, 241.320312 MB of memory in use. ENERGY: 2499800 3932.0912 20652.0586 14457.1904 243.5898 -202839.2808 2426.0569 0.0000 0.0000 52038.3780 -109089.9158 299.0653 -161128.2938 -108729.0116 299.4863 -121.2908 -95.5982 762957.4649 6.4377 6.3056 PRESSURE: 2500000 -48.8006 -289.422 125.294 -289.421 106.291 -103.827 125.293 -103.827 241.355 GPRESSURE: 2500000 22.9543 -339.919 129.806 -229.913 90.509 -112.602 50.2601 -152.84 266.773 PRESSAVG: 2500000 74.5892 -15.064 13.9518 -15.064 -77.774 -32.9528 13.9517 -32.9528 -8.36915 GPRESSAVG: 2500000 75.0686 -17.3553 13.3224 -14.3398 -76.7597 -33.4806 12.8167 -35.8341 -9.35956 TIMING: 2500000 CPU: 7974.68, 0.00319472/step Wall: 7974.68, 0.00319472/step, 2.21856 hours remaining, 241.320312 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: 2500000 3989.0062 20508.4345 14454.1386 250.0053 -202735.1990 2419.3624 0.0000 0.0000 52193.8499 -108920.4020 299.9588 -161114.2519 -108557.3379 299.7954 99.6153 126.7454 762796.8660 -3.8513 -3.6836 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2500200 67.9866 181.208 131.373 181.208 157.537 125.573 131.373 125.574 -223.024 GPRESSURE: 2500200 119.32 195.972 54.4962 99.8755 157.465 32.6004 139.285 62.2811 -201.959 PRESSAVG: 2500200 -37.0193 -10.6386 -6.22325 -10.6386 -15.1626 -0.0483271 -6.22329 -0.0483394 5.46471 GPRESSAVG: 2500200 -36.4248 -7.88189 -6.29081 -11.8497 -16.7444 -1.11345 -6.31995 1.22993 6.25073 TIMING: 2500200 CPU: 7975.33, 0.00327485/step Wall: 7975.33, 0.00327485/step, 2.27402 hours remaining, 241.320312 MB of memory in use. ENERGY: 2500200 3979.7639 20453.6079 14538.8515 237.5486 -202805.8734 2568.5560 0.0000 0.0000 52185.9286 -108841.6170 299.9132 -161027.5456 -108482.5983 300.0577 0.8332 24.9416 764665.3609 -15.5724 -15.6395 LDB: ============= START OF LOAD BALANCING ============== 7987.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7987.79 LDB: =============== DONE WITH MIGRATION ================ 7987.79 LDB: ============= START OF LOAD BALANCING ============== 7988.1 LDB: Largest compute 7026 load 0.038395 is 19.6% of average load 0.195408 LDB: Average compute 0.004395 is 2.2% of average load 0.195408 LDB: TIME 7988.11 LOAD: AVG 0.195408 MAX 0.214763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.508 MB LDB: TIME 7988.11 LOAD: AVG 0.195408 MAX 0.214763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.512 MB LDB: TIME 7988.11 LOAD: AVG 0.195408 MAX 0.214763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.512 MB LDB: ============== END OF LOAD BALANCING =============== 7988.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7988.12 PRESSURE: 2500400 80.5901 60.0625 27.3739 60.0624 -142.999 28.2869 27.3741 28.286 212.885 GPRESSURE: 2500400 67.4735 56.5255 102.013 24.391 -21.6202 132.634 -59.2413 25.3535 200.45 PRESSAVG: 2500400 -12.8697 30.0574 20.8504 30.0574 -20.3986 -17.1664 20.8504 -17.1664 19.1388 GPRESSAVG: 2500400 -14.1914 27.6778 22.3433 28.8729 -19.2585 -17.8463 20.4795 -16.4311 18.9418 TIMING: 2500400 CPU: 7975.98, 0.00323453/step Wall: 7975.98, 0.00323453/step, 2.24584 hours remaining, 239.527344 MB of memory in use. ENERGY: 2500400 3984.4077 20551.6388 14449.5764 253.6089 -203088.2536 2758.9341 0.0000 0.0000 52376.5582 -108713.5296 301.0088 -161090.0878 -108350.3216 300.6658 50.1585 82.1010 763675.4183 -4.7098 -4.8360 PRESSURE: 2500600 219.93 111.376 -1.37951 111.376 -280.515 -47.7976 -1.37956 -47.7987 150.196 GPRESSURE: 2500600 219.144 129.416 58.7188 161.43 -226.841 -100.766 -33.7933 14.8727 175.408 PRESSAVG: 2500600 11.3682 -18.8928 -9.11961 -18.8929 6.81159 35.6276 -9.11955 35.6276 9.53872 GPRESSAVG: 2500600 11.1319 -18.2639 -10.9413 -18.4363 6.22163 36.4223 -7.89965 35.127 10.1477 TIMING: 2500600 CPU: 7976.61, 0.00314115/step Wall: 7976.61, 0.00314115/step, 2.18083 hours remaining, 239.527344 MB of memory in use. ENERGY: 2500600 3894.9724 20669.2948 14428.0326 266.3624 -203259.9049 2817.2358 0.0000 0.0000 52147.0910 -109036.9158 299.6900 -161184.0069 -108676.0905 300.6847 29.8702 55.9035 763822.2384 9.2395 9.1671 PRESSURE: 2500800 303.086 -62.8818 339.26 -62.8816 -160.676 153.124 339.26 153.124 198.786 GPRESSURE: 2500800 432.528 -71.5111 370.478 -40.8718 -173.652 161.557 400.318 136.718 162.191 PRESSAVG: 2500800 -10.8569 -40.142 25.7787 -40.142 11.8962 45.7825 25.7787 45.7825 -21.8453 GPRESSAVG: 2500800 -11.416 -41.1123 27.3231 -39.337 12.2579 46.0066 22.7768 45.4628 -21.6915 TIMING: 2500800 CPU: 7977.24, 0.00315959/step Wall: 7977.24, 0.00315959/step, 2.19346 hours remaining, 239.527344 MB of memory in use. ENERGY: 2500800 3945.6410 20701.5372 14518.7985 262.7610 -203319.4179 2768.9786 0.0000 0.0000 52272.1346 -108849.5669 300.4087 -161121.7016 -108481.5148 299.9444 113.7318 140.3557 762882.4614 -6.9353 -6.9498 PRESSURE: 2501000 11.8989 76.3284 42.2132 76.3275 -413.739 -256.91 42.2136 -256.911 -265.61 GPRESSURE: 2501000 28.9833 -91.6866 92.6363 118.078 -343.16 -233.919 118.884 -212.237 -278.688 PRESSAVG: 2501000 90.0303 -52.3504 43.2465 -52.3503 -69.6472 40.4902 43.2465 40.4901 21.8044 GPRESSAVG: 2501000 90.257 -52.4873 43.0987 -50.7397 -69.5723 39.6094 44.1572 39.5772 21.5339 TIMING: 2501000 CPU: 7977.87, 0.00315082/step Wall: 7977.87, 0.00315082/step, 2.1872 hours remaining, 239.527344 MB of memory in use. ENERGY: 2501000 4067.0385 20693.5976 14472.6981 240.8319 -203044.3933 2434.5441 0.0000 0.0000 52183.3614 -108952.3216 299.8985 -161135.6830 -108597.4744 300.4938 -222.4832 -197.6215 761625.8169 14.0625 14.0729 PRESSURE: 2501200 -35.836 134.593 182.816 134.594 -134.081 341.13 182.816 341.129 -180.963 GPRESSURE: 2501200 -16.3913 102.439 190.703 -30.498 -51.8555 351.499 100.854 292.724 -209.864 PRESSAVG: 2501200 10.9627 -30.3068 -2.35077 -30.3068 -20.9714 3.67602 -2.35073 3.67601 14.0633 GPRESSAVG: 2501200 9.87307 -31.2084 -3.99032 -30.7365 -20.9828 2.86039 -1.82221 5.73193 14.8136 TIMING: 2501200 CPU: 7978.5, 0.00315328/step Wall: 7978.5, 0.00315328/step, 2.18873 hours remaining, 239.527344 MB of memory in use. ENERGY: 2501200 4009.4262 20661.6196 14458.1535 244.6682 -203151.4380 2648.3303 0.0000 0.0000 52050.2522 -109078.9880 299.1335 -161129.2402 -108711.4744 300.1426 -116.9600 -92.7037 762845.2641 1.3515 1.2346 PRESSURE: 2501400 5.17076 -0.700213 -259.721 -0.700447 -229.876 83.215 -259.721 83.2146 292.91 GPRESSURE: 2501400 25.2963 -19.5102 -282.956 72.6889 -96.5347 97.6274 -298.483 140.118 222.68 PRESSAVG: 2501400 28.6554 -67.7066 -14.808 -67.7066 33.7299 64.5791 -14.808 64.5791 -15.3537 GPRESSAVG: 2501400 29.1293 -66.0123 -12.0452 -67.2078 34.5357 66.3459 -14.7626 63.7342 -16.2594 TIMING: 2501400 CPU: 7979.12, 0.0031212/step Wall: 7979.12, 0.0031212/step, 2.16628 hours remaining, 239.527344 MB of memory in use. ENERGY: 2501400 3988.5959 20536.5320 14528.5628 241.8647 -203129.4066 2411.4990 0.0000 0.0000 52353.2168 -109069.1354 300.8747 -161422.3522 -108713.6233 299.7920 22.7348 50.4805 761541.4783 15.6772 15.8019 PRESSURE: 2501600 -195.595 106.977 208.374 106.977 -23.3138 -48.6682 208.374 -48.6679 140.636 GPRESSURE: 2501600 -162.757 180.447 126.34 23.2784 70.8686 -86.5634 35.6243 -56.8535 123.469 PRESSAVG: 2501600 -16.183 -8.87536 29.5447 -8.87541 10.1862 -35.2933 29.5447 -35.2933 -13.7422 GPRESSAVG: 2501600 -16.5125 -7.0856 25.2803 -11.0398 10.0969 -36.0975 30.6948 -35.6812 -13.3868 TIMING: 2501600 CPU: 7979.75, 0.00312351/step Wall: 7979.75, 0.00312351/step, 2.16772 hours remaining, 239.527344 MB of memory in use. ENERGY: 2501600 4019.4768 20519.2692 14521.6306 247.1139 -203106.1933 2641.7843 0.0000 0.0000 52258.8297 -108898.0888 300.3322 -161156.9185 -108534.7065 299.7416 -26.0909 10.5267 762136.7424 -6.5797 -6.6008 PRESSURE: 2501800 109.129 -14.8061 -18.5894 -14.8064 241.935 -139.804 -18.5902 -139.804 -316.287 GPRESSURE: 2501800 114.771 -4.65383 2.41627 -196.593 289.672 -152.87 72.073 -109.145 -281.742 PRESSAVG: 2501800 -1.54571 -47.2237 -15.4777 -47.2237 -16.6144 -10.7182 -15.4777 -10.7182 -14.8292 GPRESSAVG: 2501800 -0.762514 -49.7305 -13.7036 -45.4285 -16.4777 -10.2249 -14.1267 -8.23759 -15.5017 TIMING: 2501800 CPU: 7980.38, 0.00313959/step Wall: 7980.38, 0.00313959/step, 2.1787 hours remaining, 239.527344 MB of memory in use. ENERGY: 2501800 4014.8879 20588.7106 14551.9295 239.8882 -203638.5049 2907.9142 0.0000 0.0000 52337.4709 -108997.7036 300.7842 -161335.1745 -108647.5959 300.2837 11.5922 40.9004 761748.6459 -10.9964 -10.9140 PRESSURE: 2502000 -143.039 133.256 126.53 133.256 -149.466 -37.4241 126.53 -37.4242 -58.3338 GPRESSURE: 2502000 -87.4025 156.531 83.5497 220.21 -104.768 -43.2231 75.7533 47.1146 -51.0325 PRESSAVG: 2502000 28.6062 24.0865 55.4666 24.0866 -72.1822 -49.6161 55.4667 -49.6161 -0.775094 GPRESSAVG: 2502000 28.1751 25.1396 56.4185 22.7559 -71.6489 -49.6966 52.1247 -51.0021 -0.751171 TIMING: 2502000 CPU: 7981.01, 0.00316158/step Wall: 7981.01, 0.00316158/step, 2.19379 hours remaining, 239.527344 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: 2502000 3948.7935 20572.4831 14564.5568 221.4399 -203011.7750 2493.4903 0.0000 0.0000 52098.5640 -109112.4475 299.4112 -161211.0115 -108750.4004 300.3807 -116.9463 -81.0676 762893.6637 -14.7837 -14.7416 PRESSURE: 2502200 -168.874 5.91477 -10.8482 5.91527 -144.84 37.4957 -10.8489 37.494 -38.9842 GPRESSURE: 2502200 -71.7069 -53.4426 -65.1092 13.0565 -79.428 -25.3918 123.76 62.0838 -122.991 PRESSAVG: 2502200 63.8156 -46.9443 7.08688 -46.9444 -22.9812 -0.867356 7.08689 -0.867372 12.779 GPRESSAVG: 2502200 64.2336 -48.4754 6.40568 -46.0717 -24.2806 -1.07281 7.59811 -1.5023 13.4252 TIMING: 2502200 CPU: 7981.64, 0.00315804/step Wall: 7981.64, 0.00315805/step, 2.19116 hours remaining, 239.527344 MB of memory in use. ENERGY: 2502200 4035.6504 20547.7328 14471.5181 256.2980 -203418.7217 2733.4872 0.0000 0.0000 52372.2966 -109001.7385 300.9843 -161374.0352 -108636.4466 300.1774 -117.5662 -91.3753 761496.5577 17.8711 17.7928 PRESSURE: 2502400 -99.0008 6.01454 -137.874 6.0141 -211.215 343.146 -137.875 343.146 56.8456 GPRESSURE: 2502400 -38.928 126.46 -142.336 -98.2274 -145.296 259.018 -47.6144 197.569 40.6905 PRESSAVG: 2502400 46.513 27.9947 -28.2675 27.9947 -41.6804 -2.45587 -28.2674 -2.45576 19.0769 GPRESSAVG: 2502400 47.014 27.8304 -26.6872 28.081 -41.8719 -3.07175 -28.4803 -2.26958 19.2933 TIMING: 2502400 CPU: 7982.27, 0.00314445/step Wall: 7982.27, 0.00314445/step, 2.18155 hours remaining, 239.527344 MB of memory in use. ENERGY: 2502400 4113.5948 20437.8969 14622.2317 244.7564 -203203.2661 2380.2310 0.0000 0.0000 52359.2286 -109045.3266 300.9092 -161404.5553 -108675.6709 300.4829 -84.4568 -47.8445 761862.6646 7.9698 8.1451 PRESSURE: 2502600 331.097 66.6979 -187.152 66.6976 73.3872 -9.76967 -187.151 -9.7699 -258.918 GPRESSURE: 2502600 366.229 1.07528 -212.527 185.542 90.5614 177.398 -81.8009 -74.3553 -217.145 PRESSAVG: 2502600 18.226 -2.5117 -39.73 -2.51167 -37.9316 27.1411 -39.7301 27.1411 -25.5638 GPRESSAVG: 2502600 17.4832 -1.72856 -41.7385 -2.58595 -36.6715 26.8533 -39.1549 26.8323 -25.429 TIMING: 2502600 CPU: 7982.9, 0.00315836/step Wall: 7982.9, 0.00315836/step, 2.19103 hours remaining, 239.527344 MB of memory in use. ENERGY: 2502600 4030.9141 20526.4421 14444.0564 245.9630 -203957.7838 2852.2384 0.0000 0.0000 52565.2304 -109292.9394 302.0931 -161858.1698 -108920.2473 300.6360 48.5221 79.8819 759713.9923 -15.0898 -14.8724 PRESSURE: 2502800 34.5721 235.826 172.24 235.826 -192.905 61.3235 172.241 61.323 -84.276 GPRESSURE: 2502800 31.9562 205.271 136.576 266.429 -88.9305 116.052 144.698 105.379 -130.016 PRESSAVG: 2502800 19.4889 5.55508 -35.3058 5.55504 -1.48366 25.2058 -35.3059 25.2059 4.02293 GPRESSAVG: 2502800 20.3787 5.81912 -35.2626 6.78126 -2.3632 25.9831 -34.6731 23.5468 3.75801 TIMING: 2502800 CPU: 7983.53, 0.0031457/step Wall: 7983.53, 0.0031457/step, 2.18207 hours remaining, 239.527344 MB of memory in use. ENERGY: 2502800 3908.9901 20720.6495 14521.8056 248.4024 -203168.0425 2246.5035 0.0000 0.0000 52168.5823 -109353.1091 299.8136 -161521.6914 -108990.9350 300.3015 -80.8697 -62.3301 760728.9503 7.3427 7.2578 PRESSURE: 2503000 258.56 259.902 144.64 259.901 236.972 24.597 144.641 24.5976 43.9452 GPRESSURE: 2503000 304.769 216.102 102.946 115.093 236.351 -19.5579 69.4544 -22.3593 93.6337 PRESSAVG: 2503000 -0.110323 7.27778 -56.9082 7.27774 9.82135 -8.94018 -56.9081 -8.94018 21.9325 GPRESSAVG: 2503000 -1.31187 7.09558 -57.0793 6.98697 10.5565 -10.6293 -56.837 -8.09209 22.0145 TIMING: 2503000 CPU: 7984.16, 0.00316467/step Wall: 7984.16, 0.00316467/step, 2.19505 hours remaining, 239.527344 MB of memory in use. ENERGY: 2503000 4058.5592 20610.8243 14429.8526 238.9351 -203941.1647 3000.7897 0.0000 0.0000 52160.2102 -109441.9937 299.7654 -161602.2038 -109083.0337 299.3568 179.8259 211.5845 759837.8602 10.5478 10.4197 PRESSURE: 2503200 -154.726 138.313 -10.9303 138.311 -146.017 -274.352 -10.9303 -274.352 320.761 GPRESSURE: 2503200 -201.101 91.9696 -55.0683 120.439 -70.2882 -94.1192 -61.511 -168.834 382.709 PRESSAVG: 2503200 57.1678 11.8633 43.2358 11.8632 -14.9975 -26.9359 43.2358 -26.9359 3.64012 GPRESSAVG: 2503200 58.6955 11.8058 42.5603 10.7668 -16.73 -25.1542 41.2883 -26.0444 3.46621 TIMING: 2503200 CPU: 7984.79, 0.0031433/step Wall: 7984.79, 0.0031433/step, 2.18006 hours remaining, 239.527344 MB of memory in use. ENERGY: 2503200 3965.1947 20582.5353 14457.4513 249.2443 -203539.0829 2695.8120 0.0000 0.0000 51907.0535 -109681.7918 298.3106 -161588.8453 -109318.9327 299.0154 6.6725 37.1064 760711.1230 15.2701 15.1439 PRESSURE: 2503400 75.5263 141.539 -71.7364 141.54 -54.7896 -97.5583 -71.7368 -97.559 116.444 GPRESSURE: 2503400 15.323 102.767 -82.64 31.0248 -19.5873 -146.714 -23.836 35.0717 228.976 PRESSAVG: 2503400 14.9459 28.0747 -32.3791 28.0746 -57.4157 -17.2848 -32.3791 -17.2848 -3.91696 GPRESSAVG: 2503400 14.3686 26.8483 -30.7205 27.9954 -57.0433 -17.0113 -32.0798 -17.0722 -3.62776 TIMING: 2503400 CPU: 7985.43, 0.00316456/step Wall: 7985.43, 0.00316456/step, 2.19462 hours remaining, 239.527344 MB of memory in use. ENERGY: 2503400 3973.5144 20648.6511 14417.9064 253.9886 -203215.0925 2232.9393 0.0000 0.0000 52271.9498 -109416.1429 300.4076 -161688.0927 -109064.5914 299.6806 45.7271 74.9041 758440.6779 -15.4623 -15.4342 PRESSURE: 2503600 373.559 -51.8682 -134.573 -51.8683 -129.628 85.8995 -134.573 85.8991 236.173 GPRESSURE: 2503600 375.472 -16.2517 -132.143 50.0303 -1.5317 123.603 -96.301 130.773 188.361 PRESSAVG: 2503600 86.9598 17.7779 5.28679 17.778 -50.2573 -27.2302 5.28683 -27.2302 12.2743 GPRESSAVG: 2503600 85.8102 17.1482 3.84621 17.8595 -48.1015 -25.8443 5.18286 -28.7565 12.0293 TIMING: 2503600 CPU: 7986.06, 0.00315607/step Wall: 7986.06, 0.00315607/step, 2.18856 hours remaining, 239.527344 MB of memory in use. ENERGY: 2503600 3888.9802 20633.0460 14500.4880 248.4138 -203139.1214 2372.3875 0.0000 0.0000 52070.5331 -109425.2727 299.2501 -161495.8058 -109055.0366 299.6587 160.0344 187.4340 760755.8190 16.3256 16.5793 PRESSURE: 2503800 24.6654 -218.245 -214.328 -218.245 -125.663 -74.4209 -214.329 -74.42 -438.255 GPRESSURE: 2503800 -14.0771 -272.967 -189.384 -214.041 -33.431 -53.3421 -60.6467 -103.332 -420.668 PRESSAVG: 2503800 12.477 -19.5885 59.653 -19.5885 0.315079 -6.84278 59.653 -6.84287 -3.345 GPRESSAVG: 2503800 12.9756 -19 59.4177 -19.625 0.188834 -8.53426 61.3962 -6.44501 -3.43432 TIMING: 2503800 CPU: 7986.69, 0.00315571/step Wall: 7986.69, 0.00315571/step, 2.18814 hours remaining, 239.527344 MB of memory in use. ENERGY: 2503800 3991.3502 20679.9368 14463.6480 246.7646 -203694.6740 2587.0800 0.0000 0.0000 52417.8224 -109308.0719 301.2459 -161725.8943 -108936.4346 299.7569 -179.7509 -156.0586 762038.0692 3.1490 3.2434 PRESSURE: 2504000 -217.314 -43.9496 97.3072 -43.9489 167.789 22.0808 97.3083 22.0813 -57.7519 GPRESSURE: 2504000 -145.262 -21.7144 90.995 -86.512 112.068 58.8848 16.6092 39.647 -8.98089 PRESSAVG: 2504000 26.8458 -29.6289 15.9598 -29.6288 -53.881 -29.6451 15.9598 -29.6451 6.61341 GPRESSAVG: 2504000 27.7056 -27.328 16.9398 -29.633 -55.0937 -29.9799 14.1929 -29.5067 7.3431 TIMING: 2504000 CPU: 7987.32, 0.00314749/step Wall: 7987.32, 0.00314749/step, 2.18226 hours remaining, 239.527344 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: 2504000 3934.8849 20739.0298 14486.1120 247.0421 -203286.3895 2415.6632 0.0000 0.0000 51972.6001 -109491.0575 298.6872 -161463.6576 -109118.9039 299.5253 -35.7590 -14.0583 762518.0239 -6.8073 -6.6817 PRESSURE: 2504200 407.905 23.7468 -89.0904 23.747 125.915 -73.7183 -89.0907 -73.7187 173.83 GPRESSURE: 2504200 312.975 57.0795 -80.1149 -33.9687 294.995 -46.4953 -29.9624 -26.7653 192.685 PRESSAVG: 2504200 38.7673 4.99297 15.8693 4.99292 -43.8725 -10.3523 15.8693 -10.3523 3.89746 GPRESSAVG: 2504200 38.4347 3.8718 16.5603 3.45046 -43.7306 -9.39656 17.1488 -10.7736 4.30649 TIMING: 2504200 CPU: 7987.95, 0.00315568/step Wall: 7987.95, 0.00315568/step, 2.18777 hours remaining, 239.527344 MB of memory in use. ENERGY: 2504200 3880.5837 20646.8573 14513.4840 235.8105 -203548.9768 2872.6050 0.0000 0.0000 51995.9546 -109403.6818 298.8215 -161399.6363 -109040.2347 299.0331 235.8832 266.8853 761732.9040 -0.4026 -0.3298 LDB: ============= START OF LOAD BALANCING ============== 8000.4 LDB: ============== END OF LOAD BALANCING =============== 8000.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8000.4 LDB: ============= START OF LOAD BALANCING ============== 8000.72 LDB: Largest compute 7026 load 0.035472 is 18.2% of average load 0.195333 LDB: Average compute 0.004388 is 2.2% of average load 0.195333 LDB: TIME 8000.72 LOAD: AVG 0.195333 MAX 0.21916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8000.72 LOAD: AVG 0.195333 MAX 0.21916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 8000.72 LOAD: AVG 0.195333 MAX 0.216727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 8000.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8000.73 PRESSURE: 2504400 -62.8978 103.815 181.329 103.815 -21.5334 50.1668 181.329 50.1672 70.2671 GPRESSURE: 2504400 -80.4096 32.1166 167.16 8.26195 -11.5451 27.2083 62.7855 23.9568 168.863 PRESSAVG: 2504400 54.3702 -54.0885 -1.41836 -54.0885 -18.7744 -21.3928 -1.41833 -21.3928 9.51291 GPRESSAVG: 2504400 53.3725 -53.8243 -3.64364 -53.1627 -17.4772 -23.0583 -1.71436 -21.4688 9.11013 TIMING: 2504400 CPU: 7988.59, 0.00322535/step Wall: 7988.59, 0.00322535/step, 2.23588 hours remaining, 241.187500 MB of memory in use. ENERGY: 2504400 3873.8390 20519.6768 14472.1426 252.1247 -203576.8319 2687.5511 0.0000 0.0000 52239.7592 -109531.7386 300.2226 -161771.4977 -109172.3372 299.0643 -4.7214 25.6361 761677.0856 15.0362 15.0018 PRESSURE: 2504600 116.895 44.2472 -22.4272 44.2475 -156.267 346.681 -22.4275 346.679 403.19 GPRESSURE: 2504600 165.435 148.713 -35.0521 88.2111 -101.573 328.861 18.4912 196.696 392.144 PRESSAVG: 2504600 -12.5848 3.54117 4.63559 3.54126 -15.1749 44.0198 4.63557 44.0198 5.41708 GPRESSAVG: 2504600 -10.3435 1.35515 5.70356 3.10932 -18.219 45.3628 4.30996 41.1657 6.26897 TIMING: 2504600 CPU: 7989.22, 0.00314924/step Wall: 7989.22, 0.00314924/step, 2.18295 hours remaining, 241.390625 MB of memory in use. ENERGY: 2504600 3879.4474 20491.2193 14497.7709 235.4406 -202971.8365 2506.1628 0.0000 0.0000 51973.7192 -109388.0761 298.6937 -161361.7953 -109014.3142 299.5276 121.2725 152.0017 761502.9125 -7.4476 -7.4312 PRESSURE: 2504800 -248.779 -175.931 -79.387 -175.931 -49.0955 67.6011 -79.3878 67.6 131.144 GPRESSURE: 2504800 -212.94 -39.5008 -118.955 -1.43087 -57.4909 80.1908 -53.8834 74.7735 211.483 PRESSAVG: 2504800 58.1085 20.7108 -21.8766 20.7107 -36.4385 8.294 -21.8766 8.29385 3.56787 GPRESSAVG: 2504800 56.9306 23.8404 -21.5846 20.9592 -34.0639 8.56025 -21.1309 11.1129 2.4036 TIMING: 2504800 CPU: 7989.86, 0.00315821/step Wall: 7989.86, 0.00315821/step, 2.18899 hours remaining, 241.390625 MB of memory in use. ENERGY: 2504800 3975.3170 20476.2310 14387.7486 233.2443 -203388.5934 2655.6907 0.0000 0.0000 52047.3384 -109613.0233 299.1168 -161660.3617 -109241.5737 299.1331 -55.5771 -19.6492 761426.5691 8.4126 8.4234 PRESSURE: 2505000 -366.601 -152.062 72.982 -152.063 -261.625 110.457 72.9809 110.457 -99.5215 GPRESSURE: 2505000 -370.181 -113.554 96.9377 -69.6956 -204.227 44.8659 56.6719 125.751 -86.9637 PRESSAVG: 2505000 81.3094 -15.0659 -36.3818 -15.066 -76.0355 32.475 -36.3818 32.4749 -28.547 GPRESSAVG: 2505000 82.0271 -17.2963 -36.7719 -14.4574 -76.7971 32.3614 -35.7578 33.3431 -28.8614 TIMING: 2505000 CPU: 7990.49, 0.0031556/step Wall: 7990.49, 0.0031556/step, 2.18701 hours remaining, 241.390625 MB of memory in use. ENERGY: 2505000 4002.2513 20452.7121 14410.5317 263.0387 -203059.2980 2364.3399 0.0000 0.0000 52027.7496 -109538.6747 299.0042 -161566.4243 -109173.1497 298.9505 -242.5823 -220.4572 763199.1453 -7.7577 -7.8771 PRESSURE: 2505200 -317.192 -85.7156 -40.9724 -85.7157 1.74769 28.103 -40.9718 28.104 115.657 GPRESSURE: 2505200 -271.701 -51.4078 -95.8284 -51.7388 48.1412 62.0698 55.6091 128.11 102.609 PRESSAVG: 2505200 -2.90025 -14.4889 -23.8378 -14.4888 5.92807 4.24629 -23.8378 4.24634 3.94724 GPRESSAVG: 2505200 -5.29715 -13.8224 -23.8015 -13.2023 7.38525 3.48463 -23.4547 4.59397 4.58001 TIMING: 2505200 CPU: 7991.11, 0.00313734/step Wall: 7991.11, 0.00313734/step, 2.17418 hours remaining, 241.390625 MB of memory in use. ENERGY: 2505200 3994.1112 20728.9432 14402.1088 245.6334 -203315.2003 2551.6570 0.0000 0.0000 52077.9925 -109314.7543 299.2929 -161392.7468 -108954.2513 299.3150 -66.5959 -40.3171 761540.5845 2.3250 2.2227 PRESSURE: 2505400 -191.699 162.28 -338.894 162.281 -71.0047 83.9209 -338.894 83.9217 -154.844 GPRESSURE: 2505400 -166.396 120.3 -425.256 72.6945 -36.2893 122.087 -303.891 7.34835 -147.536 PRESSAVG: 2505400 1.33066 -46.2755 -8.72946 -46.2755 -0.416124 7.66812 -8.72945 7.66813 -1.23486 GPRESSAVG: 2505400 1.41676 -46.355 -9.24658 -45.9056 -0.949727 8.88042 -9.68727 6.06243 -0.512519 TIMING: 2505400 CPU: 7991.74, 0.0031365/step Wall: 7991.74, 0.0031365/step, 2.17342 hours remaining, 241.390625 MB of memory in use. ENERGY: 2505400 4036.5078 20849.0505 14516.8308 237.4428 -203441.0592 2688.4509 0.0000 0.0000 51897.1969 -109215.5795 298.2539 -161112.7763 -108867.3665 300.0648 -139.1827 -116.7403 758554.4266 -0.1068 -0.0152 PRESSURE: 2505600 122.334 -5.58989 266.413 -5.58977 -273.868 -211.752 266.414 -211.753 67.4309 GPRESSURE: 2505600 158.622 235.712 256.587 2.50638 -205.753 -233.182 128.407 -174.673 59.3513 PRESSAVG: 2505600 69.9681 -16.4923 -58.5456 -16.4924 -20.9207 4.1066 -58.5456 4.10662 9.98088 GPRESSAVG: 2505600 70.985 -13.843 -56.8049 -18.4218 -20.5381 2.57611 -61.7307 4.74596 8.71633 TIMING: 2505600 CPU: 7992.37, 0.00314846/step Wall: 7992.37, 0.00314846/step, 2.18154 hours remaining, 241.390625 MB of memory in use. ENERGY: 2505600 4059.2185 20553.3274 14432.7658 244.4601 -203695.3856 2797.4503 0.0000 0.0000 52504.0094 -109104.1540 301.7413 -161608.1635 -108737.7533 300.3314 -28.0345 4.0734 759077.3576 19.6761 19.7211 PRESSURE: 2505800 -135.554 89.3331 -228.366 89.3342 247.266 70.3203 -228.366 70.3197 178.914 GPRESSURE: 2505800 -125.535 26.9881 -210.605 153.405 260.565 27.8019 -91.5436 68.2149 232.311 PRESSAVG: 2505800 35.5416 -14.0099 -53.2514 -14.0099 -57.8004 -18.7375 -53.2514 -18.7375 7.35865 GPRESSAVG: 2505800 35.109 -17.7187 -55.3207 -12.8443 -58.4648 -17.9736 -50.8914 -18.2886 8.08817 TIMING: 2505800 CPU: 7993, 0.00315211/step Wall: 7993, 0.00315211/step, 2.18389 hours remaining, 241.390625 MB of memory in use. ENERGY: 2505800 4023.6253 20548.0469 14424.6398 249.1118 -203016.0680 2431.3564 0.0000 0.0000 52052.8384 -109286.4493 299.1484 -161339.2877 -108924.3726 299.7081 96.8750 122.4472 760772.3515 -4.9667 -5.0892 PRESSURE: 2506000 -195.99 41.1221 -92.8853 41.1224 241.309 160.452 -92.8859 160.452 -138.157 GPRESSURE: 2506000 -119.399 -58.3905 -18.7237 -10.571 228.254 237.184 -1.91615 114.7 -110.059 PRESSAVG: 2506000 -61.9195 -30.4766 36.1182 -30.4765 24.7276 40.9213 36.1183 40.9214 33.5802 GPRESSAVG: 2506000 -60.7851 -28.2929 36.6167 -31.5516 23.1 41.1162 36.5295 40.2158 34.0537 TIMING: 2506000 CPU: 7993.63, 0.00314115/step Wall: 7993.63, 0.00314115/step, 2.17612 hours remaining, 241.390625 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: 2506000 3973.7218 20543.3139 14490.5290 244.0011 -203550.5799 2756.8532 0.0000 0.0000 51975.2105 -109566.9503 298.7022 -161542.1609 -109198.4094 299.2850 -30.9456 -0.4014 762546.7569 -1.2039 -1.2104 PRESSURE: 2506200 54.3079 190.358 -239.809 190.357 -152.807 -179.029 -239.81 -179.029 -243.051 GPRESSURE: 2506200 76.1595 227.974 -314.318 170.789 -125.769 -91.2056 -249.636 -321.358 -208.897 PRESSAVG: 2506200 -35.4151 -28.1079 -38.8409 -28.1078 35.5353 34.1949 -38.8409 34.1949 4.22406 GPRESSAVG: 2506200 -36.0315 -26.8058 -37.8007 -27.9272 37.7785 35.7355 -36.7327 34.7541 2.95322 TIMING: 2506200 CPU: 7994.26, 0.00315549/step Wall: 7994.26, 0.00315549/step, 2.18588 hours remaining, 241.390625 MB of memory in use. ENERGY: 2506200 4017.0331 20386.1613 14471.2444 241.5032 -203479.9885 2743.0697 0.0000 0.0000 52190.0590 -109430.9178 299.9370 -161620.9768 -109064.4878 299.1238 -113.8500 -86.1689 761151.5862 1.4481 1.5667 PRESSURE: 2506400 -4.18445 -14.3198 -36.568 -14.3207 -83.2955 30.2256 -36.568 30.2248 377.326 GPRESSURE: 2506400 111.354 119.317 -124.698 130.895 -12.4652 143.555 -181.568 -8.12562 295.642 PRESSAVG: 2506400 12.4533 24.1439 -34.9962 24.1439 -12.2734 5.08665 -34.9962 5.0866 30.3339 GPRESSAVG: 2506400 12.017 22.9024 -34.9715 23.3277 -12.3803 5.47901 -37.2903 5.74068 31.174 TIMING: 2506400 CPU: 7994.89, 0.00313574/step Wall: 7994.89, 0.00313574/step, 2.17203 hours remaining, 241.390625 MB of memory in use. ENERGY: 2506400 3988.4011 20466.7225 14391.5784 230.0492 -202945.6137 2347.8589 0.0000 0.0000 52193.6567 -109327.3470 299.9577 -161521.0037 -108954.0386 299.1965 96.6154 131.5102 761754.0382 10.1713 10.2703 PRESSURE: 2506600 -231.976 -77.4833 -0.0717399 -77.4842 7.6325 -43.3696 -0.0717015 -43.3701 -197.929 GPRESSURE: 2506600 -133.567 -212.692 80.0682 5.99163 37.9321 -62.3953 -7.01851 14.7698 -242.463 PRESSAVG: 2506600 1.78353 -14.6998 -59.9735 -14.6997 3.88123 55.561 -59.9735 55.561 5.32309 GPRESSAVG: 2506600 2.84829 -15.412 -58.8662 -13.0584 3.90345 54.9062 -62.1482 55.3011 4.85151 TIMING: 2506600 CPU: 7995.52, 0.00316686/step Wall: 7995.52, 0.00316686/step, 2.1934 hours remaining, 241.390625 MB of memory in use. ENERGY: 2506600 4036.5327 20435.0303 14472.0174 233.8665 -203186.9473 2412.1596 0.0000 0.0000 52096.5371 -109500.8036 299.3995 -161597.3408 -109133.3024 299.3186 -140.7576 -112.6993 762185.0807 3.6626 3.8678 PRESSURE: 2506800 -122.044 -86.4469 20.3976 -86.4481 0.0679365 -78.2008 20.397 -78.2005 -32.2013 GPRESSURE: 2506800 -77.8776 -42.5633 115.962 -37.7639 30.5542 5.53368 40.463 -45.7305 -26.6488 PRESSAVG: 2506800 5.65799 -25.402 -2.50244 -25.402 21.9178 38.8712 -2.50247 38.8712 -9.18682 GPRESSAVG: 2506800 5.2629 -23.204 -4.35872 -27.1947 22.589 38.3819 0.745785 40.0767 -9.97678 TIMING: 2506800 CPU: 7996.15, 0.00316511/step Wall: 7996.15, 0.00316511/step, 2.19201 hours remaining, 241.390625 MB of memory in use. ENERGY: 2506800 3944.5923 20553.6163 14408.1566 247.1122 -203195.4276 2345.9941 0.0000 0.0000 52164.1405 -109531.8156 299.7880 -161695.9561 -109170.6158 299.7464 -51.3924 -24.6574 760625.2671 6.1297 5.9584 PRESSURE: 2507000 109.681 67.471 66.252 67.4713 206.338 82.6394 66.2515 82.6392 -33.288 GPRESSURE: 2507000 103.388 21.3294 86.9975 31.3591 258.92 132.204 -42.689 100.356 5.39975 PRESSAVG: 2507000 -3.37375 15.4967 -12.7685 15.4967 18.1355 5.49586 -12.7685 5.49586 -0.748505 GPRESSAVG: 2507000 -3.51731 14.8207 -12.6823 16.5836 17.6553 4.49811 -13.5938 5.16988 -0.164073 TIMING: 2507000 CPU: 7996.78, 0.00313951/step Wall: 7996.78, 0.00313951/step, 2.17411 hours remaining, 241.390625 MB of memory in use. ENERGY: 2507000 3990.3034 20484.9481 14465.5096 257.3306 -203439.0154 2713.0678 0.0000 0.0000 51984.9718 -109542.8841 298.7583 -161527.8559 -109174.8308 299.0036 94.2438 122.5691 759018.7631 4.6711 4.6580 PRESSURE: 2507200 -414.781 56.1576 238.603 56.1567 -6.03551 60.9678 238.603 60.9679 -53.3333 GPRESSURE: 2507200 -423.242 56.1397 267.142 -1.73183 48.2948 -3.72653 264.936 27.9073 -43 PRESSAVG: 2507200 -47.4366 -9.44038 -1.58591 -9.44034 8.30377 19.9627 -1.58589 19.9626 -21.6956 GPRESSAVG: 2507200 -46.5702 -8.68333 -2.06587 -9.42455 7.25244 19.6996 -1.7679 20.1251 -21.6954 TIMING: 2507200 CPU: 7997.41, 0.00314109/step Wall: 7997.41, 0.00314109/step, 2.17503 hours remaining, 241.390625 MB of memory in use. ENERGY: 2507200 4063.6784 20571.5804 14365.7414 246.4887 -203086.1996 2275.9733 0.0000 0.0000 52011.4637 -109551.2738 298.9106 -161562.7375 -109189.4154 298.3429 -158.0501 -139.3159 759773.9911 -20.2762 -20.3377 PRESSURE: 2507400 27.1157 40.5455 -46.6909 40.5448 -94.3488 130.167 -46.6901 130.167 -133.709 GPRESSURE: 2507400 22.7989 -5.95803 18.1327 -44.572 -46.8177 155.127 -101.861 55.4542 -84.577 PRESSAVG: 2507400 50.8425 -14.7812 -24.9108 -14.7812 -12.2673 28.9767 -24.9108 28.9767 -23.2177 GPRESSAVG: 2507400 50.0295 -16.137 -22.3202 -13.9734 -11.2773 30.3511 -24.6337 27.9293 -22.975 TIMING: 2507400 CPU: 7998.04, 0.00316574/step Wall: 7998.04, 0.00316574/step, 2.19192 hours remaining, 241.390625 MB of memory in use. ENERGY: 2507400 3916.3626 20420.5985 14477.4765 214.2413 -203224.8259 2639.6058 0.0000 0.0000 51968.1538 -109588.3874 298.6617 -161556.5412 -109219.2550 299.3803 -66.9806 -36.1986 761815.7474 5.1192 5.2591 PRESSURE: 2507600 -22.3774 -63.2384 -272.112 -63.2384 198.982 -8.66115 -272.112 -8.66106 415.395 GPRESSURE: 2507600 -46.3706 -13.9609 -256.801 -19.1012 312.286 -29.7326 -163.881 -75.6158 418.926 PRESSAVG: 2507600 33.3282 31.5707 17.2191 31.5707 -55.0325 3.6247 17.2191 3.62469 10.54 GPRESSAVG: 2507600 33.2179 28.5358 15.5604 31.1893 -55.1939 2.99715 17.6754 4.23279 10.5637 TIMING: 2507600 CPU: 7998.67, 0.00314771/step Wall: 7998.67, 0.00314771/step, 2.17926 hours remaining, 241.390625 MB of memory in use. ENERGY: 2507600 3964.4981 20244.2226 14456.9935 228.4776 -202899.5902 2516.0096 0.0000 0.0000 52052.7820 -109436.6068 299.1481 -161489.3888 -109074.8370 298.8854 197.3332 228.2805 761682.5231 -3.7214 -3.8041 PRESSURE: 2507800 58.015 -80.7841 -48.1333 -80.7837 47.6104 -18.2385 -48.1334 -18.2376 -243.753 GPRESSURE: 2507800 115.712 -44.1422 -88.8603 35.8187 52.3672 106.302 -13.428 -127.858 -210.648 PRESSAVG: 2507800 41.0907 7.69601 26.403 7.69606 -63.5125 -5.86634 26.403 -5.86635 -16.4514 GPRESSAVG: 2507800 41.2602 11.3125 24.9686 8.8653 -62.7313 -6.823 25.9034 -4.16882 -17.2022 TIMING: 2507800 CPU: 7999.3, 0.0031428/step Wall: 7999.3, 0.0031428/step, 2.17569 hours remaining, 241.390625 MB of memory in use. ENERGY: 2507800 3992.1604 20499.0879 14470.9666 235.1476 -202828.5566 2402.2803 0.0000 0.0000 51885.5793 -109343.3345 298.1871 -161228.9138 -108986.2575 299.0433 -46.0424 -14.1895 761766.2150 -12.9577 -12.8911 PRESSURE: 2508000 -54.3286 78.6086 182.89 78.6088 -139.957 -135.822 182.89 -135.822 -167.844 GPRESSURE: 2508000 5.91851 -23.8117 176.95 65.9459 -135.238 -166.861 176.71 70.0322 -133.968 PRESSAVG: 2508000 29.9116 -1.50573 -37.5694 -1.50573 -14.6611 23.5406 -37.5694 23.5407 -2.0201 GPRESSAVG: 2508000 31.2483 -2.48015 -35.0199 -1.56847 -15.6741 25.5513 -35.7163 21.6183 -1.79565 TIMING: 2508000 CPU: 7999.93, 0.0031265/step Wall: 7999.93, 0.0031265/step, 2.16423 hours remaining, 241.390625 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: 2508000 4019.9570 20569.5541 14414.8737 222.2300 -203398.1344 2587.1574 0.0000 0.0000 52276.0704 -109308.2918 300.4313 -161584.3622 -108946.7435 299.1374 -120.7101 -87.7622 760320.5137 4.4101 4.5929 PRESSURE: 2508200 14.7673 -96.4924 -47.2328 -96.4926 31.7342 298.23 -47.2331 298.231 201.397 GPRESSURE: 2508200 -50.7133 -69.0004 2.79975 -46.4527 160.562 280.45 -121.56 313.952 224.14 PRESSAVG: 2508200 36.3409 2.0062 -34.2144 2.00617 -13.598 -8.76095 -34.2145 -8.76095 31.9673 GPRESSAVG: 2508200 35.437 2.76282 -36.5837 1.72549 -13.1154 -9.95156 -35.2079 -7.62382 32.0757 TIMING: 2508200 CPU: 8000.56, 0.00314191/step Wall: 8000.56, 0.00314191/step, 2.17472 hours remaining, 241.390625 MB of memory in use. ENERGY: 2508200 4009.7078 20448.0881 14457.1448 248.5979 -203114.5300 2374.1287 0.0000 0.0000 52132.5453 -109444.3175 299.6065 -161576.8627 -109073.7312 299.6396 82.6329 111.3297 760208.7994 18.2368 18.1324 LDB: ============= START OF LOAD BALANCING ============== 8013 LDB: ============== END OF LOAD BALANCING =============== 8013 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8013.01 LDB: ============= START OF LOAD BALANCING ============== 8013.32 LDB: Largest compute 7026 load 0.038027 is 19.5% of average load 0.195259 LDB: Average compute 0.004386 is 2.2% of average load 0.195259 LDB: TIME 8013.32 LOAD: AVG 0.195259 MAX 0.212765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 8013.32 LOAD: AVG 0.195259 MAX 0.212765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 8013.32 LOAD: AVG 0.195259 MAX 0.212765 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 8013.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8013.33 PRESSURE: 2508400 69.3622 180.693 -188.568 180.694 -241.29 410.311 -188.569 410.312 236.83 GPRESSURE: 2508400 64.5573 164.501 -177.53 88.5306 -110.6 345.449 -143.048 329.651 198.944 PRESSAVG: 2508400 1.41604 20.3973 -40.5793 20.3973 45.1636 12.8486 -40.5793 12.8487 12.7475 GPRESSAVG: 2508400 1.24628 20.8939 -37.5534 18.6783 45.3032 13.6197 -43.158 11.3735 12.7316 TIMING: 2508400 CPU: 8001.19, 0.00319891/step Wall: 8001.19, 0.00319891/step, 2.214 hours remaining, 240.355469 MB of memory in use. ENERGY: 2508400 3958.1338 20403.2004 14466.9098 253.2652 -203160.4933 2215.2738 0.0000 0.0000 52069.3944 -109794.3159 299.2435 -161863.7103 -109427.8288 299.3744 21.6340 50.9671 759140.4427 19.7757 19.7604 PRESSURE: 2508600 -245.734 -69.9526 171.76 -69.953 -144.748 20.7691 171.76 20.7698 5.17244 GPRESSURE: 2508600 -249.222 -33.1673 225.833 11.7325 -49.7217 -9.09889 204.391 153.188 -4.76667 PRESSAVG: 2508600 -4.9047 8.92138 17.2531 8.92135 0.434817 19.6054 17.253 19.6055 -15.1421 GPRESSAVG: 2508600 -5.69656 9.269 15.8536 10.585 0.478906 18.883 19.2364 19.9263 -15.103 TIMING: 2508600 CPU: 8001.82, 0.00314121/step Wall: 8001.82, 0.00314121/step, 2.17389 hours remaining, 240.355469 MB of memory in use. ENERGY: 2508600 4035.3057 20464.0402 14435.2726 235.4356 -203302.3718 2504.9626 0.0000 0.0000 51852.1424 -109775.2126 297.9950 -161627.3550 -109410.0017 298.8775 -128.4365 -101.2366 759065.1414 -6.5373 -6.7735 PRESSURE: 2508800 136.096 -51.2391 213.414 -51.239 139.185 116.952 213.414 116.953 333.916 GPRESSURE: 2508800 173.363 -31.8994 240.094 -21.926 188.194 190.531 122.821 156.538 346.495 PRESSAVG: 2508800 70.8556 -23.9156 21.1349 -23.9156 -50.0729 14.6998 21.1349 14.6998 10.5524 GPRESSAVG: 2508800 71.2947 -26.2138 21.6434 -24.8799 -50.428 14.7702 21.2747 14.0762 10.772 TIMING: 2508800 CPU: 8002.45, 0.00312205/step Wall: 8002.45, 0.00312205/step, 2.16046 hours remaining, 240.355469 MB of memory in use. ENERGY: 2508800 4064.3187 20484.8144 14382.1747 247.8590 -203108.1089 2471.0815 0.0000 0.0000 51869.7578 -109588.1028 298.0962 -161457.8605 -109227.8547 298.6247 203.0656 236.0171 760325.3322 10.4451 10.5463 PRESSURE: 2509000 -127.922 -182.185 45.4512 -182.185 -70.6585 85.2475 45.4513 85.2475 -328.662 GPRESSURE: 2509000 -53.1862 -25.2017 99.714 -150.79 -48.2495 117.079 12.6453 66.3705 -334.43 PRESSAVG: 2509000 -2.73618 -38.4841 36.5625 -38.4841 -6.62467 -33.3803 36.5625 -33.3802 1.93337 GPRESSAVG: 2509000 -3.3102 -35.2345 38.0983 -39.2201 -6.74317 -34.1544 34.9182 -31.6071 2.33814 TIMING: 2509000 CPU: 8003.08, 0.00315489/step Wall: 8003.08, 0.00315489/step, 2.18301 hours remaining, 240.355469 MB of memory in use. ENERGY: 2509000 4043.5303 20515.8863 14471.7405 224.8394 -203064.9143 2232.9302 0.0000 0.0000 52064.2567 -109511.7310 299.2140 -161575.9877 -109149.1679 299.3196 -175.7477 -145.2885 759319.6096 -2.4758 -2.5717 PRESSURE: 2509200 -98.1956 3.89757 -225.859 3.89868 -306.505 -22.4571 -225.86 -22.458 -169.143 GPRESSURE: 2509200 -27.2767 96.575 -278.102 21.3255 -335.381 70.1684 -151.077 44.6906 -126.895 PRESSAVG: 2509200 21.0225 -59.9839 8.26646 -59.9839 -4.82903 -47.2141 8.26643 -47.2141 2.46083 GPRESSAVG: 2509200 21.9053 -62.6766 6.03713 -57.8678 -5.88748 -43.9318 9.36742 -48.9924 2.51299 TIMING: 2509200 CPU: 8003.71, 0.00314559/step Wall: 8003.71, 0.00314559/step, 2.1764 hours remaining, 240.355469 MB of memory in use. ENERGY: 2509200 4052.4332 20432.0171 14452.4584 261.6727 -203340.3309 2498.5945 0.0000 0.0000 52075.6021 -109567.5530 299.2792 -161643.1550 -109204.6611 299.1851 -191.2810 -163.1840 760145.6879 6.2181 6.1769 PRESSURE: 2509400 -17.8437 -100.061 88.0907 -100.061 163.089 79.8229 88.0906 79.824 -50.6975 GPRESSURE: 2509400 11.9264 -144.646 9.10568 -98.4127 195.905 139.365 -47.8594 -68.5321 -11.2598 PRESSAVG: 2509400 42.1397 -1.68028 52.9103 -1.68026 -63.1619 -4.593 52.9103 -4.59299 -4.40621 GPRESSAVG: 2509400 42.3558 -1.89689 54.0828 -1.89654 -62.1546 -5.39824 51.8136 -4.8414 -5.6475 TIMING: 2509400 CPU: 8004.34, 0.00314136/step Wall: 8004.34, 0.00314136/step, 2.17329 hours remaining, 240.355469 MB of memory in use. ENERGY: 2509400 4064.5400 20393.2213 14418.6321 248.9057 -203242.1857 2560.0009 0.0000 0.0000 52067.9134 -109488.9723 299.2350 -161556.8856 -109122.3597 299.3556 31.5161 65.5239 760857.9509 -8.4761 -8.4821 PRESSURE: 2509600 -53.1463 -260.293 -178.678 -260.293 97.4335 -195.646 -178.679 -195.646 -84.5073 GPRESSURE: 2509600 -30.6435 -258.203 -170.291 -234.811 149.354 -317.194 -36.1136 -301.284 -68.2549 PRESSAVG: 2509600 46.7497 -53.6464 -19.8742 -53.6464 -82.1743 -23.4453 -19.8741 -23.4453 5.2098 GPRESSAVG: 2509600 44.1893 -54.0659 -20.1078 -55.2419 -81.7096 -25.0231 -18.5714 -23.7694 7.15722 TIMING: 2509600 CPU: 8004.97, 0.00314606/step Wall: 8004.97, 0.00314606/step, 2.17637 hours remaining, 240.355469 MB of memory in use. ENERGY: 2509600 3999.7961 20468.8082 14410.8526 267.1718 -203488.0789 2611.5681 0.0000 0.0000 52150.9727 -109578.9094 299.7124 -161729.8821 -109228.3102 299.0414 -13.4067 16.8185 760241.8699 -10.0716 -10.1210 PRESSURE: 2509800 110.876 277.554 -32.5655 277.555 241.311 -132.216 -32.5646 -132.215 66.0092 GPRESSURE: 2509800 141.1 274.023 -36.3458 203.828 239.479 10.3442 27.1463 -58.4681 126.884 PRESSAVG: 2509800 -11.2662 27.3559 -50.8078 27.3558 -29.4283 -10.6384 -50.8078 -10.6384 5.9951 GPRESSAVG: 2509800 -8.93325 27.2695 -49.7554 28.3537 -29.692 -9.1244 -50.4343 -10.1558 4.09706 TIMING: 2509800 CPU: 8005.6, 0.00316066/step Wall: 8005.6, 0.00316066/step, 2.1863 hours remaining, 240.355469 MB of memory in use. ENERGY: 2509800 3979.4845 20608.9978 14500.4997 230.4511 -203597.5994 2849.2634 0.0000 0.0000 51925.7647 -109503.1382 298.4181 -161428.9029 -109140.4657 299.1215 139.3990 169.1544 760164.5617 -11.5665 -11.5094 PRESSURE: 2510000 148.655 -123.131 37.3795 -123.131 -13.7067 -11.2902 37.3798 -11.291 91.2789 GPRESSURE: 2510000 136.663 -164.687 96.6385 -213.494 56.9591 17.1519 -43.4077 68.5217 124.401 PRESSAVG: 2510000 29.165 34.0988 -29.2851 34.0987 9.37976 -43.9176 -29.285 -43.9175 7.22548 GPRESSAVG: 2510000 29.4668 33.6042 -30.2311 33.716 8.56037 -45.2151 -29.7529 -42.5415 7.72268 TIMING: 2510000 CPU: 8006.23, 0.00314296/step Wall: 8006.23, 0.00314296/step, 2.17388 hours remaining, 240.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2510000 3953.3286 20469.4509 14462.3565 259.2164 -203269.6370 2582.9934 0.0000 0.0000 52113.9363 -109428.3550 299.4995 -161542.2913 -109056.3186 299.2115 75.4091 106.0075 760169.7135 15.2567 15.2499 PRESSURE: 2510200 29.5516 -16.1597 -194.408 -16.1593 -132.316 -0.425807 -194.408 -0.426052 -203.726 GPRESSURE: 2510200 135.319 -12.5006 -185.912 -42.976 -212.206 -98.4854 -182.625 51.603 -168.074 PRESSAVG: 2510200 61.9132 36.5216 -46.9835 36.5215 -59.7862 3.59208 -46.9835 3.59212 31.2536 GPRESSAVG: 2510200 61.6106 38.1515 -46.1582 36.7724 -58.9555 3.63287 -45.7522 4.43491 31.2036 TIMING: 2510200 CPU: 8006.86, 0.00315953/step Wall: 8006.86, 0.00315953/step, 2.18516 hours remaining, 240.355469 MB of memory in use. ENERGY: 2510200 3982.7102 20391.8594 14504.1715 238.1367 -203613.7293 2764.5078 0.0000 0.0000 52038.2786 -109694.0652 299.0647 -161732.3438 -109329.1386 299.3739 -102.1636 -81.6540 758991.2917 11.1269 11.2862 PRESSURE: 2510400 165.484 70.1529 -54.6077 70.1527 71.2438 -63.8309 -54.608 -63.8309 14.9298 GPRESSURE: 2510400 169.575 161.641 65.0205 6.96211 98.6392 3.45778 -109.558 -56.6328 68.8045 PRESSAVG: 2510400 20.7503 5.60579 2.86245 5.60577 -0.660455 -14.7537 2.8624 -14.7537 28.7059 GPRESSAVG: 2510400 20.8133 4.88632 1.74943 4.46393 -1.06556 -15.6074 0.26042 -15.7631 28.9271 TIMING: 2510400 CPU: 8007.49, 0.00314445/step Wall: 8007.49, 0.00314445/step, 2.17456 hours remaining, 240.355469 MB of memory in use. ENERGY: 2510400 4002.3643 20513.9656 14586.6466 264.7354 -203560.4137 2571.2741 0.0000 0.0000 52029.8297 -109591.5980 299.0161 -161621.4277 -109227.8334 299.1117 83.8859 112.3396 759224.0756 16.2652 16.2249 PRESSURE: 2510600 -26.6185 174.908 -131.892 174.908 -182.391 112.781 -131.892 112.781 22.8731 GPRESSURE: 2510600 -132.774 204.627 -161.967 166.066 -85.2868 86.8303 -17.3858 46.5512 104.094 PRESSAVG: 2510600 24.9367 23.2039 -4.10668 23.2039 -34.8025 37.5995 -4.1067 37.5995 -1.22683 GPRESSAVG: 2510600 23.602 22.3181 -1.72838 24.0011 -35.2381 40.0977 -2.46575 37.9569 0.482153 TIMING: 2510600 CPU: 8008.12, 0.00314872/step Wall: 8008.12, 0.00314872/step, 2.17734 hours remaining, 240.355469 MB of memory in use. ENERGY: 2510600 4012.7318 20488.3830 14469.5574 258.4623 -203576.2602 2640.5105 0.0000 0.0000 52031.9313 -109674.6841 299.0282 -161706.6153 -109305.7478 299.1700 -62.0455 -37.9889 760763.5540 -3.6975 -3.7180 PRESSURE: 2510800 127.127 56.0174 87.635 56.0168 -231.137 -60.8278 87.6342 -60.8269 -187.008 GPRESSURE: 2510800 189.064 12.2759 35.3339 -18.5283 -274.463 -81.1487 43.7203 41.6545 -116.861 PRESSAVG: 2510800 40.6191 -6.42931 27.229 -6.42936 -54.2203 -17.7392 27.2289 -17.7392 -12.3851 GPRESSAVG: 2510800 41.3903 -6.45793 25.0429 -6.76068 -53.7695 -16.4734 27.097 -16.9761 -13.9114 TIMING: 2510800 CPU: 8008.75, 0.00316016/step Wall: 8008.75, 0.00316016/step, 2.18508 hours remaining, 240.355469 MB of memory in use. ENERGY: 2510800 3986.0967 20348.7696 14466.2535 262.5377 -203485.1201 2672.5516 0.0000 0.0000 51992.2826 -109756.6284 298.8004 -161748.9110 -109386.8369 299.1024 -97.0064 -67.4199 761610.0178 -8.6621 -8.7635 PRESSURE: 2511000 -128.159 -99.9931 30.2925 -99.9921 181.232 328.193 30.2929 328.192 -181.593 GPRESSURE: 2511000 -56.3618 -88.471 76.2362 -144.615 193.773 285.219 27.9281 290.858 -166.181 PRESSAVG: 2511000 27.1771 -16.4967 -8.49944 -16.4967 -15.5374 28.2734 -8.49939 28.2734 -18.3921 GPRESSAVG: 2511000 27.7276 -16.5491 -9.40864 -15.9965 -14.6783 26.0718 -7.40113 28.08 -19.2887 TIMING: 2511000 CPU: 8009.38, 0.00314985/step Wall: 8009.38, 0.00314985/step, 2.17777 hours remaining, 240.355469 MB of memory in use. ENERGY: 2511000 3975.9232 20534.4127 14428.5821 249.1855 -203958.8354 2949.2457 0.0000 0.0000 52247.1576 -109574.3285 300.2651 -161821.4862 -109205.4216 298.6973 -42.8399 -9.5900 761621.6704 -2.2508 -2.0798 PRESSURE: 2511200 277.489 -32.0507 -193.057 -32.0509 593.676 -62.2092 -193.057 -62.2083 103.236 GPRESSURE: 2511200 258.351 120.646 -172.133 -66.5398 625.899 -6.93449 -131.64 -53.6058 197.364 PRESSAVG: 2511200 32.8379 29.0694 -32.7802 29.0694 -33.5875 20.5486 -32.7801 20.5486 19.8299 GPRESSAVG: 2511200 31.5376 30.2501 -32.0926 28.2124 -32.4531 22.0534 -31.5263 19.7568 20.0963 TIMING: 2511200 CPU: 8010, 0.00312063/step Wall: 8010, 0.00312063/step, 2.15739 hours remaining, 240.355469 MB of memory in use. ENERGY: 2511200 4024.7329 20370.3354 14451.9857 247.8375 -203347.0775 2839.6903 0.0000 0.0000 51899.3517 -109513.1439 298.2663 -161412.4957 -109149.5469 298.8498 324.8000 360.5378 761048.8442 6.3601 6.3936 PRESSURE: 2511400 124.287 -96.9754 -164.249 -96.9757 -327.23 145.364 -164.249 145.365 -79.9719 GPRESSURE: 2511400 154.091 -40.2764 -107.289 -89.0476 -332.923 163.555 -218.371 167.425 -37.5232 PRESSAVG: 2511400 47.4893 6.63233 -26.1978 6.6323 -94.2316 -7.58258 -26.1978 -7.58254 5.28258 GPRESSAVG: 2511400 49.1495 6.6636 -25.9813 8.44521 -96.4604 -9.81954 -27.6174 -4.60143 6.7266 TIMING: 2511400 CPU: 8010.63, 0.00314651/step Wall: 8010.63, 0.00314651/step, 2.17511 hours remaining, 240.355469 MB of memory in use. ENERGY: 2511400 3996.6947 20377.1224 14468.6054 227.0278 -203401.5812 2558.3772 0.0000 0.0000 52403.8604 -109369.8932 301.1657 -161773.7536 -109013.7425 298.6302 -94.3052 -72.1185 760918.0824 -13.8199 -13.5281 PRESSURE: 2511600 -125.082 -154.816 -108.789 -154.815 88.9534 -16.9388 -108.788 -16.9388 253.471 GPRESSURE: 2511600 13.8043 -119.721 -7.66715 -144.671 41.1868 -123.652 -236.538 91.546 241.385 PRESSAVG: 2511600 -14.1819 -1.85094 -42.3511 -1.85094 1.44981 -1.78067 -42.3511 -1.78062 13.7789 GPRESSAVG: 2511600 -14.0526 -0.572523 -41.4341 -2.16152 2.52876 -2.02865 -43.1615 -3.82336 12.8076 TIMING: 2511600 CPU: 8011.26, 0.00315721/step Wall: 8011.26, 0.00315721/step, 2.18233 hours remaining, 240.355469 MB of memory in use. ENERGY: 2511600 4056.3766 20490.1693 14524.2073 220.8126 -203833.0976 2749.8996 0.0000 0.0000 52275.5372 -109516.0949 300.4282 -161791.6322 -109153.2289 299.6136 72.4475 98.7919 760472.4963 0.3489 0.4279 PRESSURE: 2511800 70.1439 25.3893 88.7962 25.3892 -349.694 -170.084 88.7967 -170.084 -285.93 GPRESSURE: 2511800 80.7456 72.2859 57.3557 79.7515 -290.655 -145.236 108.77 -77.5165 -284.488 PRESSAVG: 2511800 71.5365 2.78936 -19.9057 2.78936 -119.179 -2.68163 -19.9057 -2.68162 -26.7958 GPRESSAVG: 2511800 70.9558 2.90448 -18.9124 1.00285 -118.736 -2.04809 -21.1489 -1.15399 -26.8686 TIMING: 2511800 CPU: 8011.89, 0.00314283/step Wall: 8011.89, 0.00314283/step, 2.17222 hours remaining, 240.355469 MB of memory in use. ENERGY: 2511800 3966.3498 20593.0329 14377.5025 233.2152 -203068.6135 2324.9649 0.0000 0.0000 51960.4537 -109613.0947 298.6174 -161573.5483 -109252.0212 298.6269 -188.4934 -164.7991 761659.6722 -24.8128 -24.8830 PRESSURE: 2512000 -19.7067 107.19 128.401 107.191 -290.332 178.202 128.402 178.203 -145.979 GPRESSURE: 2512000 39.5095 150.558 68.8703 -44.7848 -244.063 111.742 186.019 94.8761 -175.569 PRESSAVG: 2512000 76.8772 9.68186 -0.965008 9.68187 -56.3146 28.155 -0.965014 28.155 3.87731 GPRESSAVG: 2512000 76.9739 8.21894 -1.60551 10.7578 -55.7313 29.0342 -0.834109 26.2989 3.84359 TIMING: 2512000 CPU: 8012.52, 0.00313988/step Wall: 8012.52, 0.00313988/step, 2.17 hours remaining, 240.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2512000 4029.1612 20537.2793 14412.4437 228.9375 -203160.8529 2505.2431 0.0000 0.0000 51807.4971 -109640.2910 297.7384 -161447.7880 -109280.6683 299.3032 -152.0057 -126.7076 760686.9815 8.1466 8.3621 PRESSURE: 2512200 607.332 -100.526 -85.0811 -100.526 160.915 6.06793 -85.0816 6.06688 262.047 GPRESSURE: 2512200 697.358 -85.4118 -69.8049 -132.184 183.886 2.78773 -36.7349 -83.5184 230.437 PRESSAVG: 2512200 14.8546 -40.2516 11.0114 -40.2515 3.79454 -43.7772 11.0114 -43.7772 10.0066 GPRESSAVG: 2512200 16.5915 -40.3872 9.2361 -40.1321 3.24226 -44.9078 11.4758 -45.5416 9.41766 TIMING: 2512200 CPU: 8013.15, 0.00315062/step Wall: 8013.15, 0.00315062/step, 2.17726 hours remaining, 240.355469 MB of memory in use. ENERGY: 2512200 3974.8039 20524.1703 14397.9050 242.7475 -203735.5220 2741.5089 0.0000 0.0000 52146.4366 -109707.9497 299.6863 -161854.3863 -109351.0395 298.7175 343.4311 370.5604 758868.2668 9.5519 9.7505 LDB: ============= START OF LOAD BALANCING ============== 8025.6 LDB: ============== END OF LOAD BALANCING =============== 8025.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8025.6 LDB: ============= START OF LOAD BALANCING ============== 8025.92 LDB: Largest compute 7026 load 0.036882 is 18.9% of average load 0.195294 LDB: Average compute 0.004375 is 2.2% of average load 0.195294 LDB: TIME 8025.92 LOAD: AVG 0.195294 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.699 MB LDB: TIME 8025.93 LOAD: AVG 0.195294 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.898 MB LDB: TIME 8025.93 LOAD: AVG 0.195294 MAX 0.212783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.898 MB LDB: ============== END OF LOAD BALANCING =============== 8025.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8025.93 PRESSURE: 2512400 -55.1492 -118.343 240.646 -118.343 -129.351 -144.069 240.646 -144.069 87.9983 GPRESSURE: 2512400 -23.2668 -120.952 159.198 -144.338 -111.386 -112.722 108.869 -13.0011 117.716 PRESSAVG: 2512400 89.2652 -24.5753 -39.5155 -24.5753 -46.6312 12.1878 -39.5154 12.1877 7.66554 GPRESSAVG: 2512400 89.3584 -22.805 -39.6368 -24.7204 -47.0385 12.1 -38.3352 14.3198 8.13678 TIMING: 2512400 CPU: 8013.8, 0.00323239/step Wall: 8013.8, 0.00323239/step, 2.23358 hours remaining, 241.890625 MB of memory in use. ENERGY: 2512400 4036.7980 20591.7611 14345.1344 248.7364 -203605.1368 2672.8348 0.0000 0.0000 51891.3578 -109818.5142 298.2203 -161709.8720 -109451.7235 298.6509 -32.1674 -5.6458 759815.5787 16.7665 16.8189 PRESSURE: 2512600 79.5224 47.6749 -131.581 47.6745 150.719 210.119 -131.58 210.119 243.527 GPRESSURE: 2512600 77.883 48.2227 -88.0012 -89.7503 228.845 162.468 -156.932 179.341 256.053 PRESSAVG: 2512600 5.57767 -34.6518 51.1547 -34.6517 -8.77608 40.432 51.1547 40.4321 9.41099 GPRESSAVG: 2512600 5.86922 -35.8285 50.5521 -35.5786 -7.15559 40.2158 49.1577 42.5656 7.50021 TIMING: 2512600 CPU: 8014.43, 0.00316561/step Wall: 8014.43, 0.00316561/step, 2.18726 hours remaining, 242.093750 MB of memory in use. ENERGY: 2512600 3966.5434 20538.1800 14459.4013 242.4817 -203559.2490 2682.5096 0.0000 0.0000 51757.4409 -109912.6920 297.4507 -161670.1329 -109565.2874 298.8829 157.9225 187.5937 760492.8490 2.0709 2.0713 PRESSURE: 2512800 58.4733 -172.437 15.2156 -172.437 318.948 363.15 15.2164 363.15 387.732 GPRESSURE: 2512800 138.632 -108.763 66.7061 -161.002 338.077 322.952 14.0973 308.631 376.503 PRESSAVG: 2512800 -29.9412 -43.9324 17.2344 -43.9323 -17.3961 74.621 17.2344 74.6209 10.2303 GPRESSAVG: 2512800 -30.4439 -44.6573 20.1015 -43.0129 -18.6598 76.1415 17.8894 71.7371 11.718 TIMING: 2512800 CPU: 8015.06, 0.00316582/step Wall: 8015.06, 0.00316582/step, 2.18723 hours remaining, 242.093750 MB of memory in use. ENERGY: 2512800 4017.7449 20549.2831 14427.9647 232.5104 -203483.7082 2540.1847 0.0000 0.0000 51911.3114 -109804.7090 298.3350 -161716.0204 -109439.7759 299.0056 255.0511 284.4038 761972.5318 -12.3690 -12.4619 PRESSURE: 2513000 186.729 181.587 27.1044 181.586 54.2248 165.976 27.104 165.976 147.419 GPRESSURE: 2513000 125.775 170.433 -2.1688 194.804 140.614 121.207 -40.6515 259.239 202.466 PRESSAVG: 2513000 -22.7341 29.3517 84.1503 29.3517 57.7364 4.9038 84.1503 4.90378 0.335674 GPRESSAVG: 2513000 -23.8087 29.0888 81.6597 29.2586 57.3737 2.62217 83.6517 5.91388 1.90734 TIMING: 2513000 CPU: 8015.7, 0.00317017/step Wall: 8015.7, 0.00317017/step, 2.19006 hours remaining, 242.093750 MB of memory in use. ENERGY: 2513000 4055.8314 20466.4659 14427.8100 230.5353 -203750.5671 2679.7565 0.0000 0.0000 52030.1681 -109860.0000 299.0181 -161890.1681 -109491.1574 298.7051 129.4577 156.2852 760180.5329 11.7793 11.8241 PRESSURE: 2513200 10.0374 -100.063 -28.4082 -100.063 -325.652 -115.865 -28.4093 -115.864 82.6881 GPRESSURE: 2513200 73.6621 -133.06 25.6108 -96.6694 -324.761 -67.3853 46.7847 -137.045 70.6206 PRESSAVG: 2513200 -6.34109 7.58687 43.1279 7.58689 -0.662063 0.860265 43.1278 0.860304 -7.40408 GPRESSAVG: 2513200 -4.35872 9.93688 44.089 6.57717 -1.63113 0.281551 43.2244 2.17549 -8.76832 TIMING: 2513200 CPU: 8016.33, 0.00317026/step Wall: 8016.33, 0.00317026/step, 2.18995 hours remaining, 242.093750 MB of memory in use. ENERGY: 2513200 3975.4072 20541.0777 14433.4007 239.7979 -203524.5747 2446.3179 0.0000 0.0000 52310.8285 -109577.7449 300.6311 -161888.5733 -109211.1167 298.8058 -77.6422 -60.1595 761158.0812 -4.8024 -4.9194 PRESSURE: 2513400 -39.1246 -182.045 -64.3633 -182.045 323.158 -176.893 -64.3639 -176.893 102.393 GPRESSURE: 2513400 83.1707 -155.661 -27.6368 -156.834 381.218 -162.401 -152.265 -96.9203 14.0476 PRESSAVG: 2513400 40.3718 -38.453 -5.88431 -38.453 -25.7106 -34.7273 -5.8843 -34.7273 -1.33713 GPRESSAVG: 2513400 39.1413 -38.3335 -5.09343 -36.7041 -25.1247 -34.2702 -7.79058 -36.2343 -0.18495 TIMING: 2513400 CPU: 8016.96, 0.00316963/step Wall: 8016.96, 0.00316963/step, 2.18933 hours remaining, 242.093750 MB of memory in use. ENERGY: 2513400 4028.6494 20471.8762 14406.1228 234.7851 -203802.1100 2788.4516 0.0000 0.0000 52322.4604 -109549.7643 300.6979 -161872.2247 -109182.1990 299.2657 128.8089 159.4787 761194.5200 4.4414 4.6105 PRESSURE: 2513600 112.62 -59.9636 -16.411 -59.9632 -145.366 -143.303 -16.4109 -143.303 436.523 GPRESSURE: 2513600 75.3263 -131.69 46.205 -108.892 -75.5477 -219.982 80.0615 -148.251 480.729 PRESSAVG: 2513600 -2.76715 -41.4859 -0.838697 -41.486 1.31395 33.8597 -0.838669 33.8597 28.6127 GPRESSAVG: 2513600 -1.7065 -42.7166 -1.17065 -44.5497 1.02211 34.3933 1.87247 34.8767 28.283 TIMING: 2513600 CPU: 8017.6, 0.00318278/step Wall: 8017.6, 0.00318278/step, 2.19824 hours remaining, 242.093750 MB of memory in use. ENERGY: 2513600 3979.7931 20599.7193 14437.2578 249.0081 -203562.6632 2820.9673 0.0000 0.0000 52119.5637 -109356.3538 299.5318 -161475.9175 -108981.0586 299.4566 134.5925 160.1691 762806.4675 9.0532 9.1995 PRESSURE: 2513800 -68.2719 105.714 -31.1658 105.715 173.99 156.786 -31.1658 156.786 -121.573 GPRESSURE: 2513800 -63.6908 129.797 14.1882 103.356 231.234 107.093 139.809 150.147 -114.019 PRESSAVG: 2513800 29.1111 -32.0631 40.1558 -32.0631 -71.1605 -8.27914 40.1558 -8.27908 -8.76086 GPRESSAVG: 2513800 29.1177 -32.5004 39.7054 -29.4724 -70.9097 -8.92588 40.8039 -8.16711 -9.05436 TIMING: 2513800 CPU: 8018.24, 0.00317953/step Wall: 8018.24, 0.00317953/step, 2.19582 hours remaining, 242.093750 MB of memory in use. ENERGY: 2513800 3978.1374 20489.1490 14430.8118 236.0722 -203472.6278 2627.1140 0.0000 0.0000 52412.0184 -109299.3249 301.2126 -161711.3434 -108928.2195 299.5436 -5.2849 17.8414 761864.1353 -16.9368 -16.9488 PRESSURE: 2514000 109.808 167.08 102.677 167.081 226.173 -111.225 102.676 -111.224 -78.2096 GPRESSURE: 2514000 106.601 146.539 75.6459 170.47 341.437 -100.172 50.124 -72.6688 -113.277 PRESSAVG: 2514000 -28.6465 -42.924 8.7157 -42.924 53.1779 -0.563399 8.71568 -0.563291 -0.605462 GPRESSAVG: 2514000 -30.3635 -44.8061 8.70888 -43.8275 53.8769 1.58193 7.78115 -1.64302 0.0918899 TIMING: 2514000 CPU: 8018.88, 0.00319475/step Wall: 8018.88, 0.00319475/step, 2.20615 hours remaining, 242.093750 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: 2514000 4006.2720 20701.8117 14381.3792 238.1670 -203507.7521 2529.7436 0.0000 0.0000 52210.9475 -109439.4310 300.0570 -161650.3785 -109071.4561 299.8070 85.9240 111.5868 761454.2481 7.9753 7.8684 PRESSURE: 2514200 -153.421 96.068 163.193 96.0676 -332.207 -165.075 163.193 -165.074 -239.825 GPRESSURE: 2514200 -94.2192 27.9109 170.452 169.281 -348.898 -92.8077 45.0443 -212.171 -192.998 PRESSAVG: 2514200 -1.7199 -7.22425 -10.4996 -7.2242 13.3072 13.6209 -10.4996 13.6208 1.26304 GPRESSAVG: 2514200 0.460977 -6.12582 -12.175 -8.53786 11.9099 11.931 -10.0411 16.6475 -0.0885886 TIMING: 2514200 CPU: 8019.51, 0.00317776/step Wall: 8019.51, 0.00317776/step, 2.19424 hours remaining, 242.093750 MB of memory in use. ENERGY: 2514200 3998.0400 20739.3995 14372.1082 257.9850 -203243.7495 2270.7991 0.0000 0.0000 52170.3465 -109435.0711 299.8237 -161605.4177 -109071.4327 299.7072 -241.8176 -212.0383 761691.7719 4.2835 4.0941 PRESSURE: 2514400 -382.916 -161.134 164.281 -161.134 -103.859 -120.713 164.281 -120.712 -228.829 GPRESSURE: 2514400 -354.598 11.5659 182.179 -202.33 5.35832 -67.6643 194.271 -98.9992 -265.291 PRESSAVG: 2514400 -7.18816 -18.2441 -24.1877 -18.2441 -2.9257 53.7582 -24.1876 53.7581 -19.3824 GPRESSAVG: 2514400 -8.10763 -16.2825 -23.588 -16.9453 -2.11541 53.4297 -22.9632 50.1565 -18.9287 TIMING: 2514400 CPU: 8020.14, 0.00314142/step Wall: 8020.14, 0.00314142/step, 2.16898 hours remaining, 242.093750 MB of memory in use. ENERGY: 2514400 4032.0625 20574.2459 14402.0332 250.4664 -203448.1763 2582.7437 0.0000 0.0000 52225.7958 -109380.8288 300.1424 -161606.6246 -109018.4513 299.4385 -238.5346 -204.8435 762762.4339 -9.8321 -9.7172 PRESSURE: 2514600 -204.331 43.5185 15.5765 43.518 274.921 -8.00257 15.5765 -8.00229 379.743 GPRESSURE: 2514600 -141.962 -84.6184 -20.7614 -127.271 315.21 13.0602 -27.2581 0.879932 349.425 PRESSAVG: 2514600 6.94075 25.5942 -54.5924 25.5942 19.4367 -23.6178 -54.5924 -23.6178 25.3425 GPRESSAVG: 2514600 7.81633 24.4741 -54.8704 23.2623 19.1172 -22.1202 -55.7425 -24.799 24.938 TIMING: 2514600 CPU: 8020.77, 0.00314489/step Wall: 8020.77, 0.00314489/step, 2.17119 hours remaining, 242.093750 MB of memory in use. ENERGY: 2514600 3947.4646 20433.4071 14434.6912 256.4009 -203434.1018 2763.4645 0.0000 0.0000 52153.4079 -109445.2657 299.7264 -161598.6735 -109068.2174 300.0671 150.1111 174.2244 762351.8883 17.2400 17.2905 PRESSURE: 2514800 -78.1103 107.163 -233.018 107.163 325.405 -167.571 -233.017 -167.572 -270.531 GPRESSURE: 2514800 -36.3009 42.776 -191.774 106.599 337.304 -130.516 -186.944 -178.111 -263.411 PRESSAVG: 2514800 -44.3566 -23.337 -5.77933 -23.337 48.243 -31.5414 -5.77929 -31.5414 -1.30736 GPRESSAVG: 2514800 -45.4238 -23.787 -6.74748 -19.8102 48.3179 -31.9223 -5.06809 -29.78 -0.731373 TIMING: 2514800 CPU: 8021.4, 0.00317276/step Wall: 8021.4, 0.00317276/step, 2.19026 hours remaining, 242.093750 MB of memory in use. ENERGY: 2514800 4062.4471 20593.7444 14426.2319 238.6981 -203572.9056 2656.4779 0.0000 0.0000 52266.4988 -109328.8074 300.3763 -161595.3062 -108973.4138 299.9227 -7.7453 12.5308 761819.0488 0.8597 0.7209 PRESSURE: 2515000 220.683 -82.485 65.0068 -82.4854 -328.735 -114.888 65.0066 -114.889 190.134 GPRESSURE: 2515000 198.069 -150.073 53.1179 -109.756 -293.587 1.00797 181.242 -54.8465 266.413 PRESSAVG: 2515000 -61.4941 -30.502 -2.38376 -30.502 43.3667 -64.7304 -2.38374 -64.7304 13.8735 GPRESSAVG: 2515000 -61.4601 -30.7185 -0.372147 -31.1519 43.6259 -65.6367 -3.21673 -64.7634 13.7256 TIMING: 2515000 CPU: 8022.04, 0.00316797/step Wall: 8022.04, 0.00316797/step, 2.18678 hours remaining, 242.093750 MB of memory in use. ENERGY: 2515000 4008.4284 20544.6825 14358.1965 240.2516 -203065.4403 2358.0723 0.0000 0.0000 51909.3298 -109646.4793 298.3236 -161555.8091 -109292.0838 298.9949 27.3607 56.9651 761442.5382 -1.4179 -1.3695 PRESSURE: 2515200 321.23 -73.9753 -18.0612 -73.9744 -142.865 220.616 -18.0612 220.616 205.6 GPRESSURE: 2515200 296.052 -65.7121 38.3568 -214.787 -76.1012 189.409 136.202 169.27 251.235 PRESSAVG: 2515200 2.0419 -50.0972 27.5944 -50.0971 -42.1002 14.6668 27.5944 14.6668 -7.40262 GPRESSAVG: 2515200 1.58315 -52.7501 27.0509 -48.8014 -41.3795 14.8516 28.8371 14.5711 -6.88472 TIMING: 2515200 CPU: 8022.67, 0.00316501/step Wall: 8022.67, 0.00316501/step, 2.18456 hours remaining, 242.093750 MB of memory in use. ENERGY: 2515200 3929.9725 20363.4833 14424.2359 247.1743 -203936.5209 2972.0317 0.0000 0.0000 52287.0259 -109712.5974 300.4943 -161999.6233 -109344.9940 298.6618 127.9884 157.0617 760361.6527 -15.8203 -15.5604 PRESSURE: 2515400 -92.932 57.0212 -128.064 57.0208 -32.7352 136.165 -128.063 136.165 -85.3896 GPRESSURE: 2515400 -12.25 107.726 -229.152 66.971 -53.0049 107.615 -74.1852 13.3465 -59.3016 PRESSAVG: 2515400 -11.3429 32.0339 15.8095 32.0338 -18.2587 58.7103 15.8094 58.7103 -10.1564 GPRESSAVG: 2515400 -10.562 35.3083 17.047 29.8423 -18.8918 58.31 12.1765 58.1114 -10.5679 TIMING: 2515400 CPU: 8023.3, 0.00316866/step Wall: 8023.3, 0.00316866/step, 2.1869 hours remaining, 242.093750 MB of memory in use. ENERGY: 2515400 3925.0649 20429.0252 14433.2569 265.0909 -203371.2378 2665.0687 0.0000 0.0000 52111.4354 -109542.2958 299.4851 -161653.7312 -109171.2670 299.2442 -70.3523 -41.5188 760077.9315 -13.2527 -13.3406 PRESSURE: 2515600 -261.553 136.436 99.5297 136.436 284.37 -117.088 99.5304 -117.089 -305.857 GPRESSURE: 2515600 -197.72 108.649 103.553 132.091 299.861 -148.379 35.7865 32.977 -292.676 PRESSAVG: 2515600 1.68495 28.1889 -39.7598 28.1889 2.73195 48.6108 -39.7598 48.6108 9.37226 GPRESSAVG: 2515600 0.914811 28.4896 -40.2266 29.9872 2.76229 47.6909 -38.5522 50.2159 9.33798 TIMING: 2515600 CPU: 8023.94, 0.00317483/step Wall: 8023.94, 0.00317483/step, 2.19099 hours remaining, 242.093750 MB of memory in use. ENERGY: 2515600 3901.8529 20517.5646 14415.8157 247.6796 -202991.7371 2370.5752 0.0000 0.0000 51940.0116 -109598.2375 298.5000 -161538.2491 -109240.1997 298.7190 -94.3466 -63.5118 761955.6306 4.5964 4.3384 PRESSURE: 2515800 119.312 132.399 -207.575 132.399 269.641 -154.333 -207.575 -154.333 -124.511 GPRESSURE: 2515800 161.459 74.5116 -148.74 239.632 284.48 -184.348 -88.7845 -163.606 -93.3137 PRESSAVG: 2515800 20.1603 23.4495 -36.3179 23.4495 8.6905 24.2454 -36.3179 24.2454 -7.64065 GPRESSAVG: 2515800 20.7536 23.4548 -36.9899 22.4264 9.60226 23.6599 -33.9338 24.4771 -8.5705 TIMING: 2515800 CPU: 8024.57, 0.0031557/step Wall: 8024.57, 0.0031557/step, 2.17761 hours remaining, 242.093750 MB of memory in use. ENERGY: 2515800 3953.8714 20400.4519 14449.3364 243.2638 -203827.0493 3041.0318 0.0000 0.0000 52175.7832 -109563.3108 299.8549 -161739.0940 -109197.0823 298.5900 88.1471 117.5420 761974.2115 7.0700 7.2618 PRESSURE: 2516000 509.409 389.304 -272.789 389.304 268.04 -4.87867 -272.789 -4.87834 -324.429 GPRESSURE: 2516000 512.989 327.047 -239.566 250.17 246.832 -51.9036 -301.909 35.0631 -226.465 PRESSAVG: 2516000 13.1363 3.24484 -11.3842 3.24482 -21.5795 9.5121 -11.3843 9.51207 3.47147 GPRESSAVG: 2516000 14.0673 2.82132 -10.0705 2.63115 -24.3097 10.263 -15.9574 8.53076 5.43625 TIMING: 2516000 CPU: 8025.21, 0.00318811/step Wall: 8025.21, 0.00318811/step, 2.19979 hours remaining, 242.093750 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: 2516000 4002.3632 20536.8931 14430.0948 250.1961 -203503.9137 2760.7825 0.0000 0.0000 52027.4333 -109496.1507 299.0024 -161523.5840 -109133.3318 299.1639 151.0063 177.7854 762291.8097 -1.6572 -1.6020 PRESSURE: 2516200 -76.2416 90.1287 -46.9636 90.1296 -52.3075 -12.6987 -46.9633 -12.6989 119.817 GPRESSURE: 2516200 -76.6573 192.7 -35.825 108.614 42.2319 16.6831 9.26486 -52.7786 112.614 PRESSAVG: 2516200 37.7608 -10.3199 3.84768 -10.3199 -45.0471 36.7797 3.84768 36.7797 5.54255 GPRESSAVG: 2516200 35.8454 -11.0373 4.06289 -9.66472 -41.9956 37.3131 6.3337 36.1184 4.27114 TIMING: 2516200 CPU: 8025.84, 0.00315747/step Wall: 8025.84, 0.00315747/step, 2.17848 hours remaining, 242.093750 MB of memory in use. ENERGY: 2516200 3970.6367 20522.3562 14402.0931 240.8989 -203378.9322 2759.1634 0.0000 0.0000 52094.6804 -109389.1035 299.3888 -161483.7839 -109029.1426 298.9035 -2.9106 26.0628 762180.8509 -0.5813 -0.6264 LDB: ============= START OF LOAD BALANCING ============== 8038.3 LDB: ============== END OF LOAD BALANCING =============== 8038.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8038.3 LDB: ============= START OF LOAD BALANCING ============== 8038.62 LDB: Largest compute 7026 load 0.039085 is 20.0% of average load 0.195379 LDB: Average compute 0.004395 is 2.2% of average load 0.195379 LDB: TIME 8038.62 LOAD: AVG 0.195379 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.91 MB LDB: TIME 8038.62 LOAD: AVG 0.195379 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.91 MB LDB: TIME 8038.62 LOAD: AVG 0.195379 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.91 MB LDB: ============== END OF LOAD BALANCING =============== 8038.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8038.63 PRESSURE: 2516400 -67.037 -58.3355 -260.976 -58.3358 11.3359 -100.539 -260.977 -100.538 -180.061 GPRESSURE: 2516400 -25.417 66.9014 -178.406 -72.1682 -51.4409 -62.1615 -356.219 -120.369 -68.5048 PRESSAVG: 2516400 -43.037 -29.6365 25.0514 -29.6366 44.83 -56.1225 25.0514 -56.1226 3.11121 GPRESSAVG: 2516400 -42.3993 -30.5097 22.5557 -29.604 43.9011 -57.2424 27.0562 -54.5599 3.04937 TIMING: 2516400 CPU: 8026.49, 0.00327438/step Wall: 8026.49, 0.00327438/step, 2.25896 hours remaining, 241.320312 MB of memory in use. ENERGY: 2516400 3960.8267 20407.2183 14447.1330 259.0060 -203162.4094 2455.1628 0.0000 0.0000 52108.5811 -109524.4814 299.4687 -161633.0625 -109155.8577 299.0428 -78.5873 -48.4542 763173.7725 1.6347 1.5171 PRESSURE: 2516600 -85.1329 -138.146 188.306 -138.145 -139.483 7.76444 188.306 7.76488 -90.5292 GPRESSURE: 2516600 -103.687 -88.5178 181.532 -86.83 -53.1042 42.9861 65.6841 20.9486 -75.4121 PRESSAVG: 2516600 -36.3946 -8.22685 -44.7425 -8.22685 3.39905 -50.0348 -44.7425 -50.0349 9.29533 GPRESSAVG: 2516600 -35.6808 -4.72897 -42.9023 -8.24274 3.69082 -48.5363 -47.3347 -51.3242 8.82738 TIMING: 2516600 CPU: 8027.13, 0.00319145/step Wall: 8027.13, 0.00319145/step, 2.20157 hours remaining, 241.320312 MB of memory in use. ENERGY: 2516600 3976.1951 20337.1763 14414.9949 229.0812 -203105.6950 2537.2646 0.0000 0.0000 52065.4516 -109545.5314 299.2209 -161610.9830 -109191.2028 298.5412 -105.0485 -77.4011 761436.2317 -7.9001 -7.7209 PRESSURE: 2516800 -35.2534 4.91681 4.99249 4.91672 40.9289 -66.2295 4.99265 -66.2284 133.915 GPRESSURE: 2516800 -48.1336 13.6731 56.3943 25.4373 69.5143 -13.4059 46.6931 -62.8145 204.887 PRESSAVG: 2516800 52.2333 -17.6367 69.4353 -17.6366 -24.539 -41.2942 69.4353 -41.2943 -7.74982 GPRESSAVG: 2516800 51.7862 -21.1121 69.3892 -16.4668 -24.2763 -42.2437 71.8295 -42.2003 -7.32327 TIMING: 2516800 CPU: 8027.77, 0.00316808/step Wall: 8027.77, 0.00316808/step, 2.18527 hours remaining, 241.320312 MB of memory in use. ENERGY: 2516800 4014.9460 20596.2675 14509.4612 231.6872 -203386.4949 2587.1148 0.0000 0.0000 52096.8569 -109350.1613 299.4014 -161447.0182 -108998.2822 298.9738 46.5301 75.4224 758938.4108 6.6481 6.7289 PRESSURE: 2517000 1.11602 59.3 147.448 59.2996 -279.035 131.84 147.447 131.84 -18.2413 GPRESSURE: 2517000 8.42659 95.2636 123.294 5.10907 -197.886 50.8876 137.31 87.9199 -17.7589 PRESSAVG: 2517000 14.9676 -9.41964 2.1464 -9.41961 -24.6628 -47.4943 2.14638 -47.4943 -2.6045 GPRESSAVG: 2517000 14.6771 -9.69881 2.5956 -11.1677 -24.6757 -47.0198 -1.11903 -47.6863 -2.46107 TIMING: 2517000 CPU: 8028.4, 0.00316231/step Wall: 8028.4, 0.00316231/step, 2.18112 hours remaining, 241.320312 MB of memory in use. ENERGY: 2517000 4050.3604 20488.9722 14512.5374 241.1054 -203471.0998 2843.5390 0.0000 0.0000 52093.6688 -109240.9167 299.3830 -161334.5855 -108881.8498 299.3251 -98.7202 -69.0728 762652.9081 -4.0999 -4.1532 PRESSURE: 2517200 110.987 211.276 184.962 211.275 -276.425 -248.646 184.963 -248.646 -110.973 GPRESSURE: 2517200 174.03 378.891 101.808 93.9474 -330.731 -245.311 274.312 -150.442 -36.1099 PRESSAVG: 2517200 11.7151 -27.8236 -54.4592 -27.8236 -27.5832 -35.4388 -54.4592 -35.4388 22.612 GPRESSAVG: 2517200 11.8161 -27.1112 -55.5691 -27.0063 -28.6192 -36.9503 -51.1099 -33.8998 23.6117 TIMING: 2517200 CPU: 8029.03, 0.00316035/step Wall: 8029.03, 0.00316035/step, 2.17959 hours remaining, 241.320312 MB of memory in use. ENERGY: 2517200 3972.9071 20609.5247 14404.6641 246.0217 -203463.9441 2716.8054 0.0000 0.0000 52298.9133 -109215.1077 300.5626 -161514.0211 -108864.3884 299.2855 -92.1369 -64.2704 760366.9622 2.2480 2.2695 PRESSURE: 2517400 199.328 133.374 -53.6202 133.375 46.6848 51.9879 -53.6213 51.987 541.357 GPRESSURE: 2517400 214.458 172.793 -56.317 138.204 148.449 27.2796 55.999 112.949 510.677 PRESSAVG: 2517400 71.173 14.3541 4.10225 14.3542 -91.4918 -56.6331 4.10223 -56.6332 -37.4216 GPRESSAVG: 2517400 71.0737 13.8122 5.12116 14.5191 -91.3284 -55.7617 4.02264 -58.7051 -38.0049 TIMING: 2517400 CPU: 8029.66, 0.00315477/step Wall: 8029.66, 0.00315477/step, 2.17556 hours remaining, 241.320312 MB of memory in use. ENERGY: 2517400 3943.4631 20712.0104 14459.4360 247.7510 -203317.6869 2772.3996 0.0000 0.0000 52096.9389 -109085.6879 299.4018 -161182.6268 -108719.2670 299.9135 262.4567 291.1945 759161.4004 -19.2468 -19.4198 PRESSURE: 2517600 -440.784 64.3445 5.25635 64.3443 256.026 -273.722 5.25634 -273.722 81.2327 GPRESSURE: 2517600 -348.388 86.3446 131.503 101.42 238.162 -280.797 -74.1929 -263.516 100.751 PRESSAVG: 2517600 -33.7417 45.2983 18.9028 45.2983 15.7184 -35.9599 18.9028 -35.9599 -3.77092 GPRESSAVG: 2517600 -33.7006 45.6343 17.3586 44.8312 15.2821 -35.1356 18.6156 -35.0266 -3.0408 TIMING: 2517600 CPU: 8030.29, 0.00316465/step Wall: 8030.29, 0.00316465/step, 2.1822 hours remaining, 241.320312 MB of memory in use. ENERGY: 2517600 3969.8334 20437.1661 14477.8300 261.9605 -203112.0442 2520.8294 0.0000 0.0000 52091.4669 -109352.9580 299.3704 -161444.4249 -108980.8219 299.7796 -34.5086 -3.1585 760836.6359 -7.2647 -7.1531 PRESSURE: 2517800 53.677 141.496 49.2154 141.496 -294.794 -39.0938 49.215 -39.0931 -230.781 GPRESSURE: 2517800 20.758 132.682 74.3492 13.2294 -252.662 -53.5673 -15.3576 -110.981 -151.977 PRESSAVG: 2517800 0.995532 17.9082 6.13955 17.9081 1.72591 -65.1107 6.13958 -65.1107 8.23122 GPRESSAVG: 2517800 1.70188 19.2019 6.55371 17.6964 2.34642 -64.583 4.64951 -65.5701 8.21307 TIMING: 2517800 CPU: 8030.93, 0.00315964/step Wall: 8030.93, 0.00315965/step, 2.17858 hours remaining, 241.320312 MB of memory in use. ENERGY: 2517800 4020.5052 20571.4917 14509.9423 255.2260 -203055.3683 2484.1376 0.0000 0.0000 51757.2787 -109456.7866 297.4498 -161214.0653 -109098.3996 299.1305 -157.2995 -127.9604 761102.4651 3.6509 4.0871 PRESSURE: 2518000 -175.202 -90.6079 26.6169 -90.6081 79.4742 31.2807 26.6168 31.2815 62.394 GPRESSURE: 2518000 -139.252 -43.9558 39.2825 -185.134 146.346 -5.04773 224.885 42.8162 52.7724 PRESSAVG: 2518000 10.3004 -32.0723 -0.945672 -32.0723 2.00361 -46.1587 -0.945633 -46.1587 6.83 GPRESSAVG: 2518000 10.4107 -33.5572 -0.689596 -30.4536 1.16702 -47.1404 -0.897813 -45.6428 7.43854 TIMING: 2518000 CPU: 8031.55, 0.00314306/step Wall: 8031.55, 0.00314306/step, 2.16697 hours remaining, 241.320312 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: 2518000 3989.6038 20532.8248 14420.4542 229.9240 -203299.3919 2766.1712 0.0000 0.0000 51780.0844 -109580.3295 297.5809 -161360.4140 -109225.2205 299.1709 -11.1114 19.9554 761359.3230 6.3780 6.3387 PRESSURE: 2518200 -299.381 -55.0224 -287.703 -55.022 -88.4792 256.075 -287.704 256.076 79.6214 GPRESSURE: 2518200 -298.835 -51.0333 -271.138 -44.0278 2.74123 284.988 -128.74 188.77 73.8819 PRESSAVG: 2518200 -7.21 -32.9842 -20.7263 -32.9843 5.87421 -29.6852 -20.7263 -29.6852 -19.8191 GPRESSAVG: 2518200 -7.30315 -32.9622 -20.5997 -33.6787 6.09783 -30.0125 -19.0424 -28.9181 -20.4576 TIMING: 2518200 CPU: 8032.19, 0.00315895/step Wall: 8032.19, 0.00315895/step, 2.17775 hours remaining, 241.320312 MB of memory in use. ENERGY: 2518200 4034.5173 20378.0957 14530.3194 237.2970 -203211.4513 2356.8604 0.0000 0.0000 52073.9009 -109600.4605 299.2694 -161674.3615 -109227.1892 298.7826 -102.7463 -74.0708 761289.1878 -7.0516 -7.2210 PRESSURE: 2518400 19.3858 23.0556 -90.2394 23.0571 -56.2493 151.946 -90.2391 151.946 -193.086 GPRESSURE: 2518400 21.718 -12.2508 -48.8889 -32.3552 -22.8423 146.022 -196.455 56.8022 -140.997 PRESSAVG: 2518400 10.8801 -57.991 -7.29578 -57.991 11.3203 -28.2879 -7.29584 -28.2879 -0.741037 GPRESSAVG: 2518400 10.293 -56.5614 -6.15045 -59.6838 11.9406 -27.3746 -8.0526 -30.2668 -0.379871 TIMING: 2518400 CPU: 8032.82, 0.00315363/step Wall: 8032.82, 0.00315363/step, 2.17391 hours remaining, 241.320312 MB of memory in use. ENERGY: 2518400 4019.5637 20580.6568 14412.0931 240.8089 -203285.2420 2582.9722 0.0000 0.0000 52087.5959 -109361.5515 299.3481 -161449.1474 -109003.0601 299.1157 -76.6498 -47.3739 760648.1234 7.1531 7.2846 PRESSURE: 2518600 180.537 29.8848 109.465 29.8854 114.941 -25.2684 109.465 -25.2684 313.872 GPRESSURE: 2518600 195.381 119.8 127.993 28.3779 201.225 -41.0056 163.933 37.5243 298.998 PRESSAVG: 2518600 -12.2935 -1.55795 -16.7094 -1.55804 13.4951 17.1788 -16.7094 17.1787 3.8084 GPRESSAVG: 2518600 -11.8615 -2.50411 -16.8952 -0.195524 13.6427 16.6387 -17.2771 18.8019 3.19498 TIMING: 2518600 CPU: 8033.45, 0.00315954/step Wall: 8033.45, 0.00315954/step, 2.1778 hours remaining, 241.320312 MB of memory in use. ENERGY: 2518600 3989.5925 20388.1926 14444.4876 242.5301 -203412.9290 2864.6055 0.0000 0.0000 52341.3994 -109142.1214 300.8067 -161483.5208 -108777.2761 299.8092 203.1169 231.8681 762235.6569 1.6700 1.6587 PRESSURE: 2518800 -71.1161 36.279 -250.159 36.2791 -196.428 -19.7438 -250.159 -19.7424 64.539 GPRESSURE: 2518800 -78.011 -86.5883 -263.273 -42.3229 -128.784 -113.626 -199.296 -90.8902 82.0802 PRESSAVG: 2518800 -39.9133 -23.8362 -29.1659 -23.8362 48.2578 -12.7743 -29.1659 -12.7743 -10.2312 GPRESSAVG: 2518800 -38.6434 -24.2628 -29.1242 -23.3919 47.0522 -13.558 -29.6442 -14.6801 -10.8976 TIMING: 2518800 CPU: 8034.08, 0.00317409/step Wall: 8034.08, 0.00317409/step, 2.18765 hours remaining, 241.320312 MB of memory in use. ENERGY: 2518800 3989.8468 20595.5349 14409.5590 248.7962 -203195.9217 2621.8057 0.0000 0.0000 52233.8428 -109096.5363 300.1886 -161330.3791 -108731.6210 299.8495 -67.6684 -41.5718 762134.5003 -0.6289 -0.8296 PRESSURE: 2519000 -555.597 -133.598 -117.952 -133.599 117.434 -54.4014 -117.953 -54.4021 -25.3746 GPRESSURE: 2519000 -478.017 -219.957 -86.8874 -228.48 79.9273 -43.1204 -107.459 -13.4323 5.77346 PRESSAVG: 2519000 -11.5883 -51.8365 16.3199 -51.8365 38.9035 -8.60912 16.3198 -8.6092 10.9725 GPRESSAVG: 2519000 -11.6893 -51.3742 16.6091 -53.681 37.9059 -7.02798 15.8559 -7.77936 11.9215 TIMING: 2519000 CPU: 8034.72, 0.00317244/step Wall: 8034.72, 0.00317244/step, 2.18634 hours remaining, 241.320312 MB of memory in use. ENERGY: 2519000 3966.2025 20703.4337 14465.5806 246.1794 -202792.5212 2367.5462 0.0000 0.0000 52087.6238 -108955.9550 299.3483 -161043.5788 -108598.1399 300.3940 -154.5124 -130.7720 762043.0031 12.7626 12.7127 PRESSURE: 2519200 204.171 -40.3421 210.752 -40.3427 -10.1264 99.9196 210.753 99.9218 199.339 GPRESSURE: 2519200 156.395 -90.2353 174.113 -10.9976 58.5826 80.2805 106.264 5.9897 257.079 PRESSAVG: 2519200 27.1883 -20.7164 -42.5268 -20.7164 24.3382 -27.5465 -42.5268 -27.5463 20.1194 GPRESSAVG: 2519200 26.5385 -22.5774 -42.9231 -21.0415 25.4099 -29.3386 -41.7707 -25.6432 19.8673 TIMING: 2519200 CPU: 8035.36, 0.00319379/step Wall: 8035.36, 0.00319379/step, 2.20087 hours remaining, 241.320312 MB of memory in use. ENERGY: 2519200 3918.8239 20737.0542 14476.3341 270.8486 -203299.5649 2825.9762 0.0000 0.0000 52125.2834 -108945.2446 299.5647 -161070.5279 -108578.2600 300.5255 131.1280 157.3520 762570.2757 23.8819 23.9386 PRESSURE: 2519400 348.971 112.048 100.138 112.049 -163.798 8.02781 100.139 8.02686 -58.6462 GPRESSURE: 2519400 283.408 99.916 95.6266 157.752 -33.7857 -44.1652 125.399 55.4479 -52.9507 PRESSAVG: 2519400 5.42084 -28.1079 -3.54106 -28.1079 8.11016 25.8189 -3.54102 25.8188 34.2051 GPRESSAVG: 2519400 3.98467 -26.9183 -2.43634 -27.0313 10.1444 26.9307 -3.20162 25.4814 33.7907 TIMING: 2519400 CPU: 8035.99, 0.00316454/step Wall: 8035.99, 0.00316454/step, 2.18054 hours remaining, 241.320312 MB of memory in use. ENERGY: 2519400 3936.8128 20704.5366 14462.5312 248.2267 -202980.6676 2581.8842 0.0000 0.0000 52209.3105 -108837.3656 300.0476 -161046.6761 -108472.7874 300.2328 42.1755 65.5574 762157.1952 15.9120 15.9733 PRESSURE: 2519600 -40.1794 185.729 -7.2152 185.729 262.109 113.7 -7.21477 113.7 37.8273 GPRESSURE: 2519600 66.0543 203.03 2.29857 95.025 157.87 68.4769 46.2011 24.6381 139.291 PRESSAVG: 2519600 72.3282 22.0759 -31.2834 22.0759 -2.69989 -38.1239 -31.2834 -38.1238 -19.5243 GPRESSAVG: 2519600 72.7652 22.0055 -31.5379 23.5466 -3.34257 -38.9393 -29.7282 -40.2763 -19.0444 TIMING: 2519600 CPU: 8036.62, 0.00315467/step Wall: 8036.62, 0.00315467/step, 2.17357 hours remaining, 241.320312 MB of memory in use. ENERGY: 2519600 4032.7580 20611.1930 14430.8298 269.2701 -202674.3373 2366.2987 0.0000 0.0000 52048.5734 -108915.4143 299.1239 -160963.9877 -108543.1347 300.5882 86.5858 121.0719 760552.5193 16.7014 16.7928 PRESSURE: 2519800 -224.723 82.9887 -87.7909 82.9884 197.845 -296.644 -87.7913 -296.644 263.476 GPRESSURE: 2519800 -135.109 76.0011 -26.7104 65.7707 284.317 -342.435 -163.716 -161.612 184.823 PRESSAVG: 2519800 -31.4156 -15.9845 9.79394 -15.9844 20.869 -20.0738 9.79401 -20.0738 7.53196 GPRESSAVG: 2519800 -28.3508 -15.1144 9.23531 -17.6374 18.7903 -19.1816 8.13633 -20.5161 7.07929 TIMING: 2519800 CPU: 8037.25, 0.00316294/step Wall: 8037.25, 0.00316294/step, 2.17909 hours remaining, 241.320312 MB of memory in use. ENERGY: 2519800 3999.8222 20376.8558 14550.2762 249.1082 -203378.9492 2708.0878 0.0000 0.0000 52344.6974 -109150.1016 300.8257 -161494.7990 -108782.6432 300.2324 78.8662 111.3436 761634.5066 -1.0049 -0.8271 PRESSURE: 2520000 -214.885 -169.797 -71.0753 -169.797 -164.962 203.136 -71.0759 203.136 -315.401 GPRESSURE: 2520000 -222.75 -23.767 -51.6204 -183.325 -115.86 260.28 -115.678 241.659 -268.735 PRESSAVG: 2520000 -16.5335 17.7953 -46.7842 17.7953 6.39851 9.02556 -46.7842 9.02556 -4.1567 GPRESSAVG: 2520000 -17.4148 18.2237 -46.1177 16.5194 6.97901 10.6326 -48.2472 10.0596 -3.90288 TIMING: 2520000 CPU: 8037.88, 0.0031547/step Wall: 8037.88, 0.0031547/step, 2.17324 hours remaining, 241.320312 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: 2520000 4040.4520 20606.2119 14401.0578 240.0840 -203305.4233 2971.7742 0.0000 0.0000 51894.6972 -109151.1462 298.2395 -161045.8434 -108792.8900 300.0218 -231.7496 -202.4483 761993.8613 -4.7639 -4.7795 PRESSURE: 2520200 241.093 -112.998 40.9742 -112.999 -139.51 -106.052 40.9737 -106.051 668.263 GPRESSURE: 2520200 207.927 -144.636 -16.0673 -114.1 -50.2999 -153.108 37.0345 -124.552 702.563 PRESSAVG: 2520200 70.6148 40.2192 44.2375 40.2192 -38.0431 -16.3113 44.2375 -16.3113 5.28879 GPRESSAVG: 2520200 68.6479 38.9737 44.8657 42.7792 -36.5319 -16.7322 45.5237 -16.812 5.70727 TIMING: 2520200 CPU: 8038.52, 0.00316665/step Wall: 8038.52, 0.00316665/step, 2.18129 hours remaining, 241.320312 MB of memory in use. ENERGY: 2520200 3919.6739 20541.6833 14428.0671 239.6425 -203023.6594 2593.9704 0.0000 0.0000 52122.5094 -109178.1127 299.5488 -161300.6221 -108812.2821 299.3915 256.6154 286.7300 760674.4243 12.6202 12.6078 LDB: ============= START OF LOAD BALANCING ============== 8050.97 LDB: ============== END OF LOAD BALANCING =============== 8050.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8050.97 LDB: ============= START OF LOAD BALANCING ============== 8051.28 LDB: Largest compute 7026 load 0.036380 is 18.6% of average load 0.195285 LDB: Average compute 0.004408 is 2.3% of average load 0.195285 LDB: TIME 8051.29 LOAD: AVG 0.195285 MAX 0.214579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 8051.29 LOAD: AVG 0.195285 MAX 0.214579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 8051.29 LOAD: AVG 0.195285 MAX 0.214579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 8051.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8051.29 PRESSURE: 2520400 -228.312 133.545 -64.0122 133.545 1.96427 19.8568 -64.0118 19.8566 219.36 GPRESSURE: 2520400 -106.972 113.401 36.2193 125.67 9.74436 26.2936 -80.6183 20.9151 185.152 PRESSAVG: 2520400 7.57757 54.9884 16.6888 54.9884 -18.0571 -6.99471 16.6888 -6.99471 -19.9714 GPRESSAVG: 2520400 9.79478 57.069 16.0238 54.3957 -18.8849 -8.10378 16.7794 -5.84114 -20.6659 TIMING: 2520400 CPU: 8039.16, 0.00320341/step Wall: 8039.16, 0.00320341/step, 2.20643 hours remaining, 240.664062 MB of memory in use. ENERGY: 2520400 3949.3711 20503.3280 14443.2762 252.2084 -203058.1976 2429.3504 0.0000 0.0000 52274.3579 -109206.3056 300.4215 -161480.6635 -108849.9179 299.6761 -2.3292 29.3082 761004.1201 -10.1503 -9.9187 PRESSURE: 2520600 -200.04 -181.488 -52.0639 -181.488 -114.316 145.768 -52.064 145.766 78.1208 GPRESSURE: 2520600 -80.1344 -187.126 -37.9667 -107.232 -124.671 166.491 -28.8773 199.688 41.682 PRESSAVG: 2520600 17.2451 18.4412 14.7712 18.4412 18.7189 -7.90927 14.7712 -7.90925 14.685 GPRESSAVG: 2520600 15.9849 15.0944 14.205 20.193 19.2511 -8.44363 14.2077 -9.50287 15.5607 TIMING: 2520600 CPU: 8039.79, 0.0031491/step Wall: 8039.79, 0.0031491/step, 2.16885 hours remaining, 240.867188 MB of memory in use. ENERGY: 2520600 3955.0189 20520.9238 14473.5613 270.9873 -203500.2438 2597.5261 0.0000 0.0000 52170.6599 -109511.5664 299.8255 -161682.2263 -109148.7873 299.8729 -78.7448 -54.3745 759722.8430 16.8830 16.9323 PRESSURE: 2520800 -405.018 127.902 -71.5212 127.902 -104.672 -38.9094 -71.522 -38.9096 -208.023 GPRESSURE: 2520800 -272.183 185.03 -65.0008 127.078 -0.0456538 -100.742 -89.8579 6.6272 -344.363 PRESSAVG: 2520800 -5.55353 -16.6775 -6.71794 -16.6775 -38.1011 -18.4936 -6.71792 -18.4936 -11.046 GPRESSAVG: 2520800 -6.0306 -14.5194 -6.9256 -17.4488 -35.9754 -17.2823 -6.17087 -18.9877 -12.4876 TIMING: 2520800 CPU: 8040.42, 0.00315465/step Wall: 8040.42, 0.00315465/step, 2.17251 hours remaining, 240.867188 MB of memory in use. ENERGY: 2520800 4067.1059 20390.2162 14427.8287 240.3202 -203436.3364 2655.0083 0.0000 0.0000 52167.6615 -109488.1956 299.8083 -161655.8571 -109123.4092 299.3715 -239.2376 -205.5305 759865.4679 -18.2335 -18.1645 PRESSURE: 2521000 -72.329 -100.34 169.744 -100.34 -139.457 -29.4623 169.745 -29.461 -358.701 GPRESSURE: 2521000 -42.7686 -84.3187 154.254 -3.10874 -52.8832 -91.5181 139.309 5.20348 -371.174 PRESSAVG: 2521000 40.5266 31.1352 35.5256 31.1351 -38.371 41.2071 35.5256 41.207 2.00505 GPRESSAVG: 2521000 42.7365 30.8085 35.4581 30.4969 -41.7779 40.6206 38.2411 44.0935 3.02638 TIMING: 2521000 CPU: 8041.05, 0.00313597/step Wall: 8041.05, 0.00313597/step, 2.15946 hours remaining, 240.867188 MB of memory in use. ENERGY: 2521000 4010.7474 20551.4216 14531.1084 210.1228 -203680.3903 2950.5869 0.0000 0.0000 52352.3046 -109074.0986 300.8694 -161426.4031 -108715.5899 300.1517 -190.1622 -155.6087 761942.4755 1.3869 1.3283 PRESSURE: 2521200 -202.796 -129.225 -74.3201 -129.226 -351.893 -71.6818 -74.3201 -71.681 -496.452 GPRESSURE: 2521200 -233.704 -178.696 -109.183 -150.793 -234.613 -158.961 3.7394 -96.2521 -508.794 PRESSAVG: 2521200 28.8908 11.6159 34.2424 11.6159 0.719071 18.9906 34.2424 18.9906 -3.62364 GPRESSAVG: 2521200 26.2412 10.8159 34.5237 12.5867 3.15527 19.5121 32.2321 18.5384 -3.00043 TIMING: 2521200 CPU: 8041.68, 0.00315661/step Wall: 8041.68, 0.00315661/step, 2.1735 hours remaining, 240.867188 MB of memory in use. ENERGY: 2521200 4065.3982 20545.7537 14436.4368 256.9569 -203509.3483 2653.3347 0.0000 0.0000 52373.1745 -109178.2935 300.9894 -161551.4681 -108814.0663 300.6883 -350.3802 -325.7034 761022.2747 8.6621 8.7987 PRESSURE: 2521400 457.258 12.8543 -78.9905 12.8549 98.9873 26.47 -78.9905 26.4698 263.562 GPRESSURE: 2521400 561.113 -54.4713 -62.4155 46.6551 61.415 -89.9295 -100.674 78.1273 267.755 PRESSAVG: 2521400 -11.1351 10.7568 -1.21269 10.7568 -19.1257 4.44429 -1.21266 4.44411 9.82627 GPRESSAVG: 2521400 -8.66584 10.3991 -2.40877 11.8444 -20.7226 1.4803 -0.725909 3.53172 9.05511 TIMING: 2521400 CPU: 8042.31, 0.00315794/step Wall: 8042.31, 0.00315794/step, 2.17424 hours remaining, 240.867188 MB of memory in use. ENERGY: 2521400 4000.1157 20607.3834 14464.0098 247.2308 -203138.0058 2494.7404 0.0000 0.0000 52092.3387 -109232.1870 299.3754 -161324.5257 -108871.0141 299.9073 273.2692 296.7610 761338.3481 -6.8115 -6.7778 PRESSURE: 2521600 130.836 -60.9669 -150.775 -60.9681 275.695 -89.3339 -150.776 -89.334 66.358 GPRESSURE: 2521600 243.88 60.3703 -172.962 -44.7837 294.553 -43.8177 -99.6485 -185.822 -0.0969137 PRESSAVG: 2521600 17.8435 9.16583 -1.27006 9.16582 -23.5106 -54.9337 -1.27003 -54.9337 22.8124 GPRESSAVG: 2521600 17.3003 10.7119 -1.82136 8.09018 -22.8337 -52.0636 -2.1399 -56.7013 22.0556 TIMING: 2521600 CPU: 8042.94, 0.00316288/step Wall: 8042.94, 0.00316288/step, 2.17747 hours remaining, 240.867188 MB of memory in use. ENERGY: 2521600 4038.3637 20546.6674 14466.5955 266.4078 -203178.9731 2729.1651 0.0000 0.0000 51948.8439 -109182.9296 298.5507 -161131.7735 -108821.8338 299.8162 157.6294 179.4452 761059.8101 5.7151 5.5074 PRESSURE: 2521800 326.24 -12.9618 -48.5521 -12.961 161.932 79.3259 -48.5508 79.3263 168.781 GPRESSURE: 2521800 318.675 -82.2038 -66.4039 39.369 128.986 102.054 -53.9941 -42.1148 291.23 PRESSAVG: 2521800 -20 38.422 13.2253 38.422 -21.47 -47.8053 13.2252 -47.8053 -20.5181 GPRESSAVG: 2521800 -20.7275 40.0185 14.5925 36.985 -21.9436 -48.506 13.4295 -46.1557 -19.7985 TIMING: 2521800 CPU: 8043.57, 0.00315725/step Wall: 8043.57, 0.00315725/step, 2.17341 hours remaining, 240.867188 MB of memory in use. ENERGY: 2521800 3986.2560 20419.2890 14409.9143 264.7450 -203385.4587 2836.8379 0.0000 0.0000 52249.3652 -109219.0513 300.2778 -161468.4165 -108844.7590 299.5124 218.9843 246.2969 762249.3035 -20.6627 -20.8232 PRESSURE: 2522000 -95.6796 -17.1321 148.583 -17.1327 368.818 -115.149 148.584 -115.15 -367.427 GPRESSURE: 2522000 -17.3748 6.35526 10.8366 -120.935 276.837 -134.733 253.721 -134.852 -280.203 PRESSAVG: 2522000 -59.8489 30.4345 47.1464 30.4346 40.4721 -3.70581 47.1464 -3.70589 7.29719 GPRESSAVG: 2522000 -58.7133 28.9217 48.1723 30.8514 40.228 -2.20496 46.0229 -3.38208 6.65588 TIMING: 2522000 CPU: 8044.21, 0.00317696/step Wall: 8044.21, 0.00317696/step, 2.18681 hours remaining, 240.867188 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: 2522000 4024.9637 20522.2758 14445.6617 229.5981 -203370.8339 2876.9818 0.0000 0.0000 52128.1866 -109143.1662 299.5814 -161271.3528 -108785.1382 299.6087 -31.4294 -6.9137 762677.1864 -4.0266 -3.9431 PRESSURE: 2522200 114.959 -11.3553 44.9306 -11.3546 -196.533 -91.2132 44.9315 -91.2137 52.33 GPRESSURE: 2522200 107.043 -27.0493 60.4163 5.57701 -142.92 -126.185 -21.8013 -94.4948 92.3038 PRESSAVG: 2522200 8.83161 -33.8665 38.3159 -33.8665 -19.0828 -59.8344 38.316 -59.8345 -3.55572 GPRESSAVG: 2522200 7.55984 -33.6553 35.5563 -32.9105 -19.7468 -61.0107 40.9885 -61.3554 -1.70129 TIMING: 2522200 CPU: 8044.84, 0.0031723/step Wall: 8044.84, 0.0031723/step, 2.18342 hours remaining, 240.867188 MB of memory in use. ENERGY: 2522200 3990.7299 20511.7644 14549.9371 246.4569 -203346.3250 2718.9558 0.0000 0.0000 52223.8731 -109104.6078 300.1313 -161328.4808 -108738.7516 300.3847 -9.7483 18.8088 762056.3246 -4.6023 -4.6294 PRESSURE: 2522400 -254.14 -99.3722 6.37571 -99.3719 -696.931 43.1416 6.37644 43.1417 49.5495 GPRESSURE: 2522400 -238.659 -92.1051 28.6267 -56.5992 -570.446 21.4784 66.3496 129.278 6.477 PRESSAVG: 2522400 -3.2061 -25.249 21.0545 -25.249 -44.2364 -19.2622 21.0546 -19.2622 13.9504 GPRESSAVG: 2522400 -2.80526 -25.7685 21.8077 -24.6352 -41.6679 -20.0061 17.3297 -14.579 11.1431 TIMING: 2522400 CPU: 8045.48, 0.00316253/step Wall: 8045.48, 0.00316253/step, 2.17652 hours remaining, 240.867188 MB of memory in use. ENERGY: 2522400 4040.8825 20533.1689 14573.6764 245.0637 -203310.8613 2689.8633 0.0000 0.0000 52070.7941 -109157.4124 299.2516 -161228.2065 -108786.9148 299.8920 -300.5070 -267.5427 761532.8451 -11.1640 -11.1100 PRESSURE: 2522600 57.3455 327.523 65.605 327.523 450.197 -2.25829 65.6053 -2.25791 -74.0405 GPRESSURE: 2522600 145.842 242.158 -37.8356 337.808 410.262 -34.2066 13.8933 -12.4819 -53.9059 PRESSAVG: 2522600 -19.0173 -16.1248 -25.0384 -16.1248 -25.0032 -26.3567 -25.0384 -26.3567 13.9025 GPRESSAVG: 2522600 -19.1973 -15.0045 -25.6968 -17.3302 -26.5476 -24.9674 -22.9345 -32.4489 15.1124 TIMING: 2522600 CPU: 8046.11, 0.00316899/step Wall: 8046.11, 0.00316899/step, 2.1808 hours remaining, 240.867188 MB of memory in use. ENERGY: 2522600 4058.3125 20535.2336 14452.6709 252.2612 -203751.0244 2918.9226 0.0000 0.0000 52343.4102 -109190.2133 300.8183 -161533.6235 -108828.2214 299.9023 144.5006 167.3995 759243.4808 -10.0393 -10.2109 PRESSURE: 2522800 303.941 109.865 -298.123 109.864 6.13166 46.1141 -298.124 46.1143 25.3262 GPRESSURE: 2522800 292.672 145.329 -286.921 32.9458 126.907 79.2896 -138.949 101.711 3.28973 PRESSAVG: 2522800 -1.23968 13.8805 -35.9554 13.8806 -38.947 39.5421 -35.9554 39.5422 -3.59482 GPRESSAVG: 2522800 -0.893351 12.8052 -37.2654 14.6492 -38.6616 39.9122 -35.3171 43.2637 -3.47743 TIMING: 2522800 CPU: 8046.75, 0.00318217/step Wall: 8046.75, 0.00318217/step, 2.18969 hours remaining, 240.867188 MB of memory in use. ENERGY: 2522800 3979.0788 20478.9338 14461.1504 251.1163 -203341.5168 2852.2513 0.0000 0.0000 51965.4213 -109353.5649 298.6460 -161318.9862 -108996.5962 299.5991 111.7995 140.9561 760933.7120 -14.5938 -14.3441 PRESSURE: 2523000 -308.679 221.634 153.668 221.634 -377.047 178.179 153.667 178.179 -76.4372 GPRESSURE: 2523000 -241.616 122.798 183.587 203.192 -450.157 42.5487 203.811 227.431 -1.99872 PRESSAVG: 2523000 -2.51079 14.3792 -10.643 14.3792 3.17103 -24.4166 -10.643 -24.4166 -9.69086 GPRESSAVG: 2523000 -2.08683 14.8188 -9.01386 15.2842 2.6875 -24.6013 -13.2075 -24.3512 -9.68452 TIMING: 2523000 CPU: 8047.38, 0.00316723/step Wall: 8047.38, 0.00316723/step, 2.17923 hours remaining, 240.867188 MB of memory in use. ENERGY: 2523000 4027.5175 20440.2269 14502.5637 252.4233 -203038.5350 2488.9412 0.0000 0.0000 52052.9812 -109273.8812 299.1492 -161326.8624 -108902.0746 298.9898 -254.0547 -231.2572 762217.1983 -3.0102 -3.0279 PRESSURE: 2523200 -243.203 -195.828 -180.663 -195.829 -299.548 104.288 -180.663 104.287 -95.5289 GPRESSURE: 2523200 -195.002 -161.107 -143.009 -134.086 -313.438 120.312 -182.487 -28.2071 -66.5362 PRESSAVG: 2523200 26.1638 22.2313 0.240988 22.2314 6.75847 17.3066 0.240984 17.3065 1.38207 GPRESSAVG: 2523200 26.1373 22.7721 1.39213 21.7992 7.65041 17.5413 1.70906 16.6117 0.893976 TIMING: 2523200 CPU: 8048.01, 0.00316145/step Wall: 8048.01, 0.00316145/step, 2.17508 hours remaining, 240.867188 MB of memory in use. ENERGY: 2523200 4021.3436 20617.4807 14460.8456 244.7386 -203174.4209 2497.5310 0.0000 0.0000 52190.5992 -109141.8822 299.9401 -161332.4814 -108779.2351 299.9592 -212.7602 -191.6587 762014.6893 11.4348 11.5606 PRESSURE: 2523400 -90.3002 -74.2508 0.469537 -74.2495 56.076 -136.581 0.468243 -136.581 -164.733 GPRESSURE: 2523400 -121.184 -0.361081 -40.6845 -120.965 107.905 -151.133 19.9668 -61.2556 -96.397 PRESSAVG: 2523400 -20.8102 61.1242 -14.9825 61.1243 -9.64797 32.6406 -14.9825 32.6407 -6.1629 GPRESSAVG: 2523400 -21.6896 62.1724 -16.6491 60.3409 -9.35994 32.7049 -15.2972 31.4207 -6.0516 TIMING: 2523400 CPU: 8048.64, 0.0031526/step Wall: 8048.64, 0.0031526/step, 2.16881 hours remaining, 240.867188 MB of memory in use. ENERGY: 2523400 4026.3957 20663.8082 14465.2040 236.8183 -202930.5779 2527.2206 0.0000 0.0000 52067.8575 -108943.2736 299.2347 -161011.1311 -108577.2764 300.2688 -66.3190 -36.5586 760980.6782 -12.2070 -12.3671 PRESSURE: 2523600 320.859 -46.4128 -118.339 -46.4122 148.655 91.3789 -118.34 91.378 -128.804 GPRESSURE: 2523600 386.995 -15.8608 -53.8954 10.2963 98.7147 113.44 -118.293 89.1007 -64.8245 PRESSAVG: 2523600 17.476 -6.33568 35.0393 -6.3357 14.5141 -7.74028 35.0393 -7.7403 -5.05157 GPRESSAVG: 2523600 17.4088 -6.61549 35.3617 -7.50659 14.1552 -8.59405 34.9354 -7.65959 -4.16546 TIMING: 2523600 CPU: 8049.27, 0.00315823/step Wall: 8049.27, 0.00315823/step, 2.17251 hours remaining, 240.867188 MB of memory in use. ENERGY: 2523600 4068.7775 20491.8171 14416.8342 224.6647 -203056.0374 2472.1265 0.0000 0.0000 52265.6759 -109116.1415 300.3716 -161381.8175 -108754.4058 299.9959 113.5699 140.2950 760927.4582 8.9795 9.1328 PRESSURE: 2523800 27.942 -64.5071 -127.077 -64.507 -194.683 -72.1571 -127.077 -72.1589 -53.3839 GPRESSURE: 2523800 50.1057 -5.6412 -40.9348 -58.9852 -174.751 -283.23 -88.3622 -90.4227 -18.7576 PRESSAVG: 2523800 -28.1187 42.7676 66.7548 42.7676 48.0325 -6.27155 66.7548 -6.27147 -4.79521 GPRESSAVG: 2523800 -26.9398 42.3382 66.8229 43.0372 48.4656 -5.46121 67.5839 -4.72036 -6.17771 TIMING: 2523800 CPU: 8049.9, 0.00313872/step Wall: 8049.9, 0.00313872/step, 2.15892 hours remaining, 240.867188 MB of memory in use. ENERGY: 2523800 3987.5875 20730.4875 14435.4445 232.2585 -203220.1090 2466.4902 0.0000 0.0000 52141.3940 -109226.4468 299.6573 -161367.8408 -108871.0593 299.7996 -73.3749 -47.8011 761095.9064 5.0395 5.1160 PRESSURE: 2524000 -43.2272 -187.203 23.9549 -187.202 -67.9262 -38.6884 23.9539 -38.6882 -146.341 GPRESSURE: 2524000 41.3218 -196.703 -24.82 -240.469 -38.5128 -25.2216 -30.6515 22.4562 -180.813 PRESSAVG: 2524000 49.7912 3.23915 15.0685 3.2391 -6.22736 8.43566 15.0685 8.43563 -10.0067 GPRESSAVG: 2524000 49.3573 2.98293 15.0981 5.03189 -5.88196 6.38055 16.1976 7.65337 -9.9868 TIMING: 2524000 CPU: 8050.53, 0.00314024/step Wall: 8050.53, 0.00314024/step, 2.15979 hours remaining, 240.867188 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: 2524000 4031.6021 20659.8634 14421.6897 259.2976 -203170.9339 2509.5110 0.0000 0.0000 52134.6831 -109154.2870 299.6187 -161288.9701 -108788.2924 299.8022 -85.8315 -59.3346 761622.0642 11.1857 11.1629 PRESSURE: 2524200 -49.0097 -204.228 -94.2801 -204.228 -263.33 -516.908 -94.2807 -516.908 -128.622 GPRESSURE: 2524200 -99.8778 -225.329 -48.131 -50.7737 -98.411 -527.597 -108.497 -366.089 -155.178 PRESSAVG: 2524200 -23.0834 -22.9967 -3.0327 -22.9966 15.5981 9.59311 -3.03272 9.59318 -2.28287 GPRESSAVG: 2524200 -21.803 -22.6802 -3.59021 -22.7428 14.9709 11.6314 -4.71117 10.0355 -2.3675 TIMING: 2524200 CPU: 8051.16, 0.00314874/step Wall: 8051.16, 0.00314874/step, 2.16546 hours remaining, 240.867188 MB of memory in use. ENERGY: 2524200 3996.4416 20674.1181 14415.5259 229.4673 -202965.9567 2494.2760 0.0000 0.0000 52054.8754 -109101.2523 299.1601 -161156.1277 -108738.5893 299.5494 -146.9873 -117.8221 762310.1812 -3.2561 -3.0665 LDB: ============= START OF LOAD BALANCING ============== 8063.61 LDB: ============== END OF LOAD BALANCING =============== 8063.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8063.61 LDB: ============= START OF LOAD BALANCING ============== 8063.93 LDB: Largest compute 7026 load 0.034830 is 17.8% of average load 0.195234 LDB: Average compute 0.004426 is 2.3% of average load 0.195234 LDB: TIME 8063.93 LOAD: AVG 0.195234 MAX 0.215864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 8063.93 LOAD: AVG 0.195234 MAX 0.215864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 8063.93 LOAD: AVG 0.195234 MAX 0.215864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 8063.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8063.94 PRESSURE: 2524400 -251.381 190.157 66.6336 190.157 -78.8504 -181.977 66.6327 -181.976 -37.4116 GPRESSURE: 2524400 -236.811 78.9349 92.772 105.389 -24.2738 -182.076 52.4675 -148.115 -18.6219 PRESSAVG: 2524400 -10.4588 24.033 46.1702 24.033 -22.4532 -19.6165 46.1703 -19.6165 -19.3741 GPRESSAVG: 2524400 -10.2243 24.5776 46.5659 24.1424 -22.1635 -19.47 46.7317 -20.5374 -19.5637 TIMING: 2524400 CPU: 8051.8, 0.00322346/step Wall: 8051.8, 0.00322346/step, 2.21667 hours remaining, 239.835938 MB of memory in use. ENERGY: 2524400 4087.0271 20508.9789 14445.2909 259.2503 -202907.3871 2452.2312 0.0000 0.0000 52104.6382 -109049.9704 299.4461 -161154.6086 -108691.6815 299.3981 -122.5476 -93.2357 762685.4457 -17.4287 -17.3172 PRESSURE: 2524600 -336.338 -96.5229 -64.3517 -96.5225 26.3776 -108.227 -64.3519 -108.227 -281.138 GPRESSURE: 2524600 -253.88 -20.3304 -18.6259 -234.756 48.1733 -113.452 -74.9556 -94.9706 -300.782 PRESSAVG: 2524600 -2.47813 31.8245 -13.3546 31.8244 -16.5027 -62.1158 -13.3545 -62.1158 -10.5513 GPRESSAVG: 2524600 -2.91694 29.3184 -13.6292 30.7375 -16.2955 -62.5384 -14.1065 -61.034 -10.4784 TIMING: 2524600 CPU: 8052.43, 0.00312762/step Wall: 8052.43, 0.00312762/step, 2.15059 hours remaining, 240.039062 MB of memory in use. ENERGY: 2524600 4026.2796 20568.3930 14469.1792 251.4330 -203241.0666 2634.7385 0.0000 0.0000 52190.1288 -109100.9145 299.9374 -161291.0433 -108743.8744 299.9872 -197.0330 -168.8297 761465.0900 -9.8440 -9.8970 PRESSURE: 2524800 -105.926 -11.5987 -204.955 -11.5977 11.1513 -102.334 -204.955 -102.334 264.562 GPRESSURE: 2524800 -23.9512 -80.5538 -124.202 -98.0718 -22.6157 -122.304 -216.4 -81.6344 309.316 PRESSAVG: 2524800 16.1128 18.4582 6.81975 18.4582 6.64758 -14.3934 6.81975 -14.3934 17.7079 GPRESSAVG: 2524800 14.9363 18.5143 9.02084 20.0863 7.87634 -15.5897 6.11383 -12.896 17.7617 TIMING: 2524800 CPU: 8053.06, 0.00316941/step Wall: 8053.06, 0.00316941/step, 2.17915 hours remaining, 240.039062 MB of memory in use. ENERGY: 2524800 4022.2478 20482.6780 14443.3835 256.0234 -203109.4887 2609.1728 0.0000 0.0000 52062.6991 -109233.2842 299.2050 -161295.9832 -108870.6819 299.7711 56.5959 87.5832 762169.0263 13.4894 13.5248 PRESSURE: 2525000 -163.677 -109.194 -8.95366 -109.195 -60.4787 -34.2208 -8.95409 -34.2218 257.564 GPRESSURE: 2525000 -36.3079 12.0168 4.74358 -93.2171 -35.8242 8.0323 41.5039 -47.4501 189.749 PRESSAVG: 2525000 -26.5904 -8.55294 -19.8623 -8.55297 8.04399 -3.3673 -19.8623 -3.36739 -8.19913 GPRESSAVG: 2525000 -26.3307 -4.92759 -19.9383 -9.23263 6.30057 -2.40939 -18.419 -5.01174 -7.33128 TIMING: 2525000 CPU: 8053.7, 0.00316294/step Wall: 8053.7, 0.00316294/step, 2.17452 hours remaining, 240.039062 MB of memory in use. ENERGY: 2525000 4053.1788 20454.9678 14554.0024 256.2744 -202969.9992 2479.7938 0.0000 0.0000 52138.5222 -109033.2597 299.6408 -161171.7819 -108666.2140 299.4381 11.1360 39.2055 762674.5506 -8.9152 -9.1205 PRESSURE: 2525200 -17.1495 -20.3263 -73.0111 -20.3264 271.207 93.4004 -73.0119 93.4002 -165.554 GPRESSURE: 2525200 -83.1737 151.52 -44.865 -125.625 313.66 118.555 -79.8179 -68.5436 -53.6388 PRESSAVG: 2525200 -72.026 -7.15825 -33.2647 -7.15827 78.3099 -17.5273 -33.2647 -17.5274 -0.289166 GPRESSAVG: 2525200 -72.0299 -7.54749 -34.5331 -8.20363 78.4727 -17.552 -32.3932 -17.0568 -0.588955 TIMING: 2525200 CPU: 8054.33, 0.00317394/step Wall: 8054.33, 0.00317394/step, 2.18191 hours remaining, 240.039062 MB of memory in use. ENERGY: 2525200 4008.9486 20652.3408 14508.5350 264.4342 -203313.7653 2848.8405 0.0000 0.0000 51958.7947 -109071.8715 298.6079 -161030.6662 -108707.3637 299.8399 29.5010 58.9491 762882.6122 1.9983 1.9513 PRESSURE: 2525400 183.23 -194.846 -47.6981 -194.847 283.03 -74.1868 -47.6985 -74.1867 230.191 GPRESSURE: 2525400 236.827 -185.875 -135.666 -125.096 240.132 -9.02273 -141.022 -125.513 308.683 PRESSAVG: 2525400 -41.9675 -14.108 23.7654 -14.1081 27.8423 -47.6331 23.7653 -47.633 -16.387 GPRESSAVG: 2525400 -42.1632 -15.4834 25.8997 -11.6236 27.1523 -47.3932 21.8189 -49.0412 -15.8925 TIMING: 2525400 CPU: 8054.97, 0.00319002/step Wall: 8054.97, 0.00319002/step, 2.19278 hours remaining, 240.039062 MB of memory in use. ENERGY: 2525400 3977.4709 20666.3345 14460.8175 251.8425 -203361.8436 2791.9022 0.0000 0.0000 51920.3956 -109293.0804 298.3872 -161213.4760 -108929.5948 300.0311 232.1501 261.8808 761310.7474 -10.1707 -10.3011 PRESSURE: 2525600 101.241 -84.1107 -150.909 -84.1105 -152.546 120.886 -150.909 120.885 147.234 GPRESSURE: 2525600 152.64 -148.947 -20.7984 -213.823 -203.442 63.8011 -80.815 29.9413 210.648 PRESSAVG: 2525600 19.5269 13.4919 -32.7329 13.4919 -25.1911 -7.85865 -32.733 -7.85858 15.8225 GPRESSAVG: 2525600 18.4949 11.9684 -35.0162 13.0924 -24.1974 -7.02515 -32.2446 -7.28371 16.2858 TIMING: 2525600 CPU: 8055.6, 0.00315682/step Wall: 8055.6, 0.00315682/step, 2.16979 hours remaining, 240.039062 MB of memory in use. ENERGY: 2525600 3934.6722 20563.2185 14446.0660 247.8150 -203663.0743 2986.4447 0.0000 0.0000 52059.6610 -109425.1968 299.1876 -161484.8578 -109064.0596 299.2216 31.9764 53.2819 760607.3817 3.3861 3.5278 PRESSURE: 2525800 135.318 -3.13327 -33.2773 -3.13374 82.6516 60.8027 -33.2764 60.803 -37.5202 GPRESSURE: 2525800 82.9911 -54.4376 -49.3217 -127.226 169.422 88.6234 -92.3648 14.1213 26.9846 PRESSAVG: 2525800 -17.5141 1.7042 -35.974 1.70428 -0.029311 22.4727 -35.9741 22.4726 -14.0338 GPRESSAVG: 2525800 -16.1168 2.77366 -36.404 0.651778 -0.400486 23.7214 -35.6893 23.9191 -14.8192 TIMING: 2525800 CPU: 8056.23, 0.00312754/step Wall: 8056.23, 0.00312754/step, 2.14949 hours remaining, 240.039062 MB of memory in use. ENERGY: 2525800 3921.6422 20477.7074 14492.4505 256.9705 -203865.9491 3065.8827 0.0000 0.0000 52050.1936 -109601.1023 299.1332 -161651.2959 -109233.7153 299.1875 60.1498 93.1324 762764.4673 -10.5257 -10.4455 PRESSURE: 2526000 23.1461 -36.8215 -18.261 -36.8213 10.8831 103.162 -18.2609 103.162 -132.357 GPRESSURE: 2526000 74.8264 -60.8696 -61.6761 -5.04686 39.6885 151.162 24.7107 8.65137 -131.098 PRESSAVG: 2526000 15.0601 11.3687 39.0861 11.3687 6.07528 -23.6188 39.086 -23.6187 -2.77206 GPRESSAVG: 2526000 14.3398 11.907 37.6136 11.3327 6.20377 -25.2312 38.1442 -24.174 -2.68326 TIMING: 2526000 CPU: 8056.85, 0.00311173/step Wall: 8056.85, 0.00311173/step, 2.13845 hours remaining, 240.039062 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: 2526000 3897.3021 20512.1987 14492.1161 242.3597 -203529.1170 2781.8051 0.0000 0.0000 52030.0378 -109573.2975 299.0173 -161603.3353 -109217.9305 299.0573 -32.7758 -5.5278 762278.8935 6.1211 5.9534 PRESSURE: 2526200 -140.058 -199.347 -16.6711 -199.347 -44.8322 224.355 -16.6715 224.355 137.24 GPRESSURE: 2526200 -96.6999 -114.418 -68.9994 -128.173 -1.87006 204.955 12.1312 171.695 112.463 PRESSAVG: 2526200 18.8207 -25.3915 87.551 -25.3916 -16.9767 24.5976 87.551 24.5977 -17.2163 GPRESSAVG: 2526200 19.9037 -25.5764 90.3299 -22.1131 -18.1873 24.7415 88.2876 23.28 -17.2184 TIMING: 2526200 CPU: 8057.47, 0.00313081/step Wall: 8057.47, 0.00313081/step, 2.15139 hours remaining, 240.039062 MB of memory in use. ENERGY: 2526200 3945.0864 20425.9682 14433.1488 237.9774 -203618.2789 2559.5931 0.0000 0.0000 52386.8280 -109629.6770 301.0678 -162016.5050 -109267.0421 298.6176 -15.8835 4.6310 762103.5039 -5.1241 -5.1674 PRESSURE: 2526400 301.402 -20.8003 -95.1171 -20.8011 -103.623 14.0242 -95.118 14.0248 64.661 GPRESSURE: 2526400 351.511 19.3131 -55.6098 -23.9844 -48.3119 18.841 -202.648 64.2785 50.357 PRESSAVG: 2526400 7.99806 -32.2999 -43.2956 -32.2999 -58.4706 -7.33749 -43.2956 -7.33744 16.8287 GPRESSAVG: 2526400 7.13634 -32.4117 -45.0504 -34.8762 -57.5184 -8.73875 -43.0819 -6.66427 16.7991 TIMING: 2526400 CPU: 8058.1, 0.00313114/step Wall: 8058.1, 0.00313114/step, 2.15144 hours remaining, 240.039062 MB of memory in use. ENERGY: 2526400 4009.6658 20408.7310 14441.9966 251.7092 -203306.0453 2694.3573 0.0000 0.0000 52136.9742 -109362.6112 299.6319 -161499.5854 -109009.0594 299.3626 87.4803 117.8522 762015.9373 -11.2146 -11.1943 PRESSURE: 2526600 -41.7108 -71.5696 193.19 -71.5698 -153.128 31.9903 193.191 31.9908 -82.2421 GPRESSURE: 2526600 -60.4485 -68.7407 247.125 -14.1082 -112.747 35.3903 180.411 -71.8557 -20.7279 PRESSAVG: 2526600 4.46967 -0.938589 -24.3755 -0.938555 -10.5876 -5.58478 -24.3755 -5.58483 5.57453 GPRESSAVG: 2526600 5.19525 0.0522111 -23.2352 0.583502 -11.6525 -3.10915 -22.0048 -6.39197 5.87711 TIMING: 2526600 CPU: 8058.73, 0.00313621/step Wall: 8058.73, 0.00313621/step, 2.15475 hours remaining, 240.039062 MB of memory in use. ENERGY: 2526600 3955.6669 20521.6458 14430.5068 241.7355 -203266.2893 2623.6781 0.0000 0.0000 52100.8716 -109392.1846 299.4244 -161493.0562 -109037.2084 299.1696 -92.3603 -64.6413 762133.9975 -0.1811 -0.1934 PRESSURE: 2526800 -442.593 -96.1036 -158.334 -96.1036 -339.765 272.813 -158.334 272.814 -41.3665 GPRESSURE: 2526800 -397.901 -48.8194 -202.793 -188.01 -295.908 292.514 -188.202 143.897 -43.0384 PRESSAVG: 2526800 12.6488 -33.9704 -0.331373 -33.9703 -28.5423 -7.09728 -0.331363 -7.09725 14.1313 GPRESSAVG: 2526800 12.6136 -33.5237 -1.86041 -36.6412 -28.1718 -8.18703 -3.28754 -8.58432 14.3693 TIMING: 2526800 CPU: 8059.36, 0.00314334/step Wall: 8059.36, 0.00314334/step, 2.15947 hours remaining, 240.039062 MB of memory in use. ENERGY: 2526800 4062.5806 20495.3415 14401.0217 228.7738 -202970.1355 2354.9816 0.0000 0.0000 51994.6163 -109432.8199 298.8138 -161427.4362 -109083.2455 299.4716 -274.5750 -245.6156 761274.6315 -0.5874 -0.3963 PRESSURE: 2527000 39.2314 -24.1485 -4.77137 -24.1474 0.268086 -7.94474 -4.77152 -7.94487 -95.59 GPRESSURE: 2527000 25.263 -4.31154 13.4302 78.6657 65.2037 -47.5195 53.689 12.109 -72.2894 PRESSAVG: 2527000 -46.9548 -38.0499 3.94007 -38.0499 38.9084 29.063 3.9401 29.0629 15.8305 GPRESSAVG: 2527000 -47.8025 -39.5516 3.9917 -36.189 40.3124 28.8674 3.50749 28.8069 15.3467 TIMING: 2527000 CPU: 8059.99, 0.0031582/step Wall: 8059.99, 0.0031582/step, 2.16951 hours remaining, 240.039062 MB of memory in use. ENERGY: 2527000 4024.3778 20460.0951 14549.8092 241.8954 -203287.4508 2633.4914 0.0000 0.0000 51983.6097 -109394.1723 298.7505 -161377.7820 -109030.0902 299.2771 -18.6968 6.0591 759390.8850 2.5947 2.6189 PRESSURE: 2527200 -208.037 251.776 53.0545 251.775 66.2737 0.155651 53.0541 0.156528 -117.516 GPRESSURE: 2527200 -174.349 149.516 79.7925 240.841 95.1943 184.778 1.8921 7.43582 -114.772 PRESSAVG: 2527200 2.46119 -19.725 4.3346 -19.725 34.3627 -4.16382 4.33467 -4.16384 -28.8247 GPRESSAVG: 2527200 2.05666 -18.7718 3.53427 -21.5989 34.7642 -3.38164 6.94715 -0.156518 -29.1418 TIMING: 2527200 CPU: 8060.62, 0.00314154/step Wall: 8060.62, 0.00314154/step, 2.15789 hours remaining, 240.039062 MB of memory in use. ENERGY: 2527200 4020.7789 20632.9568 14578.6083 258.0641 -203654.7597 2600.9647 0.0000 0.0000 52040.3581 -109523.0288 299.0767 -161563.3869 -109164.0987 299.5009 -86.4265 -64.6422 760810.5076 2.6664 2.5597 PRESSURE: 2527400 -404.052 -143.977 159.128 -143.977 -7.83491 -9.6985 159.127 -9.69732 -310.401 GPRESSURE: 2527400 -225.642 -96.4757 177.864 -150.452 -79.2634 -52.9677 101.082 -40.5856 -316.193 PRESSAVG: 2527400 -87.3535 -8.13374 -2.22574 -8.13376 46.3389 -3.47037 -2.22566 -3.47037 1.97573 GPRESSAVG: 2527400 -85.2926 -9.95871 -1.51579 -6.07456 44.4545 -3.07285 -4.47147 -3.82411 2.0265 TIMING: 2527400 CPU: 8061.25, 0.00317052/step Wall: 8061.25, 0.00317052/step, 2.17762 hours remaining, 240.039062 MB of memory in use. ENERGY: 2527400 4055.1718 20502.1569 14422.6323 237.7314 -203238.6995 2413.4746 0.0000 0.0000 52083.5852 -109523.9472 299.3251 -161607.5325 -109149.5476 298.7792 -240.7625 -207.0328 759471.6372 -13.0130 -12.9372 PRESSURE: 2527600 234.35 112.056 240.398 112.056 -42.7345 71.9327 240.398 71.9325 389.295 GPRESSURE: 2527600 185.106 160.297 291.556 97.1061 58.7641 84.8667 281.291 37.7164 416.378 PRESSAVG: 2527600 -12.7994 -21.0202 -36.867 -21.0202 11.8493 27.4224 -36.867 27.4223 -1.32119 GPRESSAVG: 2527600 -12.8327 -20.8918 -35.4835 -20.9223 11.5162 28.0479 -33.3632 26.2667 -0.819483 TIMING: 2527600 CPU: 8061.88, 0.00314964/step Wall: 8061.88, 0.00314964/step, 2.16311 hours remaining, 240.039062 MB of memory in use. ENERGY: 2527600 4033.4405 20401.5988 14537.8593 256.8710 -203552.6356 2812.7204 0.0000 0.0000 51806.7138 -109703.4319 297.7339 -161510.1458 -109332.4476 298.6371 193.6369 220.0827 760274.5690 -0.7571 -0.7120 PRESSURE: 2527800 -80.9504 229.373 -57.6266 229.373 -339.257 83.7184 -57.6264 83.7188 -157.762 GPRESSURE: 2527800 22.3552 118.318 4.77804 173.945 -328.139 14.2858 -152.164 -18.5549 -178.943 PRESSAVG: 2527800 -18.8997 -25.3871 35.1394 -25.387 59.6722 -5.97492 35.1394 -5.97492 -0.787511 GPRESSAVG: 2527800 -19.5055 -25.6792 34.5802 -25.962 61.1063 -7.17392 30.333 -8.151 -1.32957 TIMING: 2527800 CPU: 8062.5, 0.00311973/step Wall: 8062.5, 0.00311973/step, 2.14239 hours remaining, 240.039062 MB of memory in use. ENERGY: 2527800 3914.3935 20463.1417 14523.3906 241.8482 -203576.9142 2624.2076 0.0000 0.0000 52237.2596 -109572.6729 300.2082 -161809.9324 -109204.8759 298.8333 -192.6567 -161.5756 761168.7608 13.3283 13.4237 PRESSURE: 2528000 -127.548 -39.639 -66.6124 -39.6389 -361.404 114.362 -66.6126 114.362 -248.506 GPRESSURE: 2528000 -142.787 -49.7002 -10.6056 -75.7231 -334.034 147.392 -206.798 168.861 -160.804 PRESSAVG: 2528000 29.5976 -20.7687 35.7933 -20.7687 8.48362 -10.5631 35.7933 -10.5631 16.8022 GPRESSAVG: 2528000 28.5796 -19.0594 36.3924 -20.1854 8.59872 -10.6336 38.5288 -8.39848 17.2415 TIMING: 2528000 CPU: 8063.13, 0.00311869/step Wall: 8063.13, 0.00311869/step, 2.1415 hours remaining, 240.039062 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: 2528000 4012.1614 20513.1097 14476.4339 263.4658 -203194.9280 2453.1630 0.0000 0.0000 52005.7467 -109470.8476 298.8777 -161476.5943 -109116.5517 299.2611 -245.8193 -212.5417 761641.5100 18.2945 18.1399 PRESSURE: 2528200 32.3167 -8.39617 100.02 -8.39664 -117.039 147.456 100.02 147.455 191.719 GPRESSURE: 2528200 21.5546 -16.0693 176.912 -18.3867 -133.728 117.561 49.0331 40.3871 300.215 PRESSAVG: 2528200 30.6375 -19.8446 -17.6532 -19.8447 -34.5045 27.5463 -17.6531 27.5463 -26.6692 GPRESSAVG: 2528200 32.1082 -17.3128 -17.5177 -19.5823 -35.4507 27.1895 -18.9512 25.5887 -26.916 TIMING: 2528200 CPU: 8063.75, 0.00312347/step Wall: 8063.75, 0.00312347/step, 2.14461 hours remaining, 240.039062 MB of memory in use. ENERGY: 2528200 4038.7940 20538.1108 14406.2567 230.3287 -203375.3467 2715.8794 0.0000 0.0000 52001.3711 -109444.6061 298.8526 -161445.9772 -109084.5512 299.1653 35.6656 62.6805 761945.1327 -10.1787 -10.0861 LDB: ============= START OF LOAD BALANCING ============== 8076.21 LDB: ============== END OF LOAD BALANCING =============== 8076.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8076.21 LDB: ============= START OF LOAD BALANCING ============== 8076.53 LDB: Largest compute 7072 load 0.035005 is 17.9% of average load 0.195311 LDB: Average compute 0.004396 is 2.3% of average load 0.195311 LDB: TIME 8076.53 LOAD: AVG 0.195311 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 8076.53 LOAD: AVG 0.195311 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: TIME 8076.53 LOAD: AVG 0.195311 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: ============== END OF LOAD BALANCING =============== 8076.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8076.54 PRESSURE: 2528400 203.569 -131.7 129.645 -131.7 36.9289 -74.8791 129.645 -74.8786 -70.2792 GPRESSURE: 2528400 139.24 -282.312 86.5607 -68.7179 153.495 -89.9903 11.8699 -4.13565 -26.9353 PRESSAVG: 2528400 -2.16218 -60.371 36.5982 -60.3709 0.746096 33.6943 36.5983 33.6944 -6.11489 GPRESSAVG: 2528400 -3.37954 -63.121 36.7799 -59.9893 1.61017 36.1794 37.3127 34.4702 -6.18845 TIMING: 2528400 CPU: 8064.4, 0.00324552/step Wall: 8064.4, 0.00324552/step, 2.22823 hours remaining, 239.585938 MB of memory in use. ENERGY: 2528400 3974.9391 20528.2411 14498.9943 245.9454 -203601.8398 3008.9925 0.0000 0.0000 52018.5442 -109326.1831 298.9513 -161344.7273 -108956.8361 299.3411 56.7396 88.6001 760426.5499 -2.5103 -2.6526 PRESSURE: 2528600 231.268 229.171 302.546 229.171 276.022 -93.8499 302.545 -93.8511 131.432 GPRESSURE: 2528600 265.533 205.441 263.332 192.611 287.537 -189.717 278.265 -102.946 176.789 PRESSAVG: 2528600 -62.7232 39.7214 40.522 39.7214 50.4076 -13.446 40.522 -13.446 24.558 GPRESSAVG: 2528600 -62.8083 41.0654 40.8084 37.7515 50.486 -13.9689 40.3993 -11.6032 24.1115 TIMING: 2528600 CPU: 8065.03, 0.00316137/step Wall: 8065.03, 0.00316137/step, 2.17028 hours remaining, 239.585938 MB of memory in use. ENERGY: 2528600 4019.9652 20654.0551 14527.0282 257.6657 -203976.8279 2951.9590 0.0000 0.0000 52087.5234 -109478.6313 299.3477 -161566.1547 -109129.1410 299.4891 212.9072 243.2860 761599.0184 4.0808 3.9298 PRESSURE: 2528800 182.794 -246.831 142.057 -246.831 -146.695 -138.685 142.057 -138.686 167.562 GPRESSURE: 2528800 174.976 -99.5344 89.2821 -148.79 -107.85 -183.092 89.2762 -109.406 213.897 PRESSAVG: 2528800 -23.1426 -0.191162 -22.3028 -0.191171 67.6386 -24.7599 -22.3028 -24.7599 -4.12233 GPRESSAVG: 2528800 -23.3036 -1.49612 -23.2973 2.99589 66.6425 -23.9591 -23.4482 -27.0723 -2.74363 TIMING: 2528800 CPU: 8065.66, 0.00315161/step Wall: 8065.66, 0.00315161/step, 2.1634 hours remaining, 239.585938 MB of memory in use. ENERGY: 2528800 3988.2042 20507.5513 14467.6358 240.9439 -203363.5240 2662.9556 0.0000 0.0000 52000.9961 -109495.2371 298.8504 -161496.2333 -109148.2806 298.9838 67.8868 93.6746 761444.6575 13.4579 13.5318 PRESSURE: 2529000 97.3439 62.6443 179.071 62.6446 412.387 -156.307 179.072 -156.307 279.871 GPRESSURE: 2529000 151.676 139.268 200.452 -35.6111 389.599 -172.637 101.431 -167.767 330.032 PRESSAVG: 2529000 -43.4056 -23.3129 44.6058 -23.3128 23.3433 2.80973 44.6058 2.80973 -25.3963 GPRESSAVG: 2529000 -41.7748 -22.4076 44.1747 -27.3022 23.3574 1.10496 46.0083 3.49744 -26.8545 TIMING: 2529000 CPU: 8066.3, 0.00315381/step Wall: 8066.3, 0.00315381/step, 2.16474 hours remaining, 239.585938 MB of memory in use. ENERGY: 2529000 3969.0729 20479.1916 14478.0497 227.2274 -203684.2587 2896.6762 0.0000 0.0000 52030.6620 -109603.3789 299.0209 -161634.0409 -109231.2750 298.9519 263.2006 290.4356 761146.7628 -15.1528 -15.0907 PRESSURE: 2529200 54.8345 -10.8954 -115.661 -10.8959 34.4117 76.3226 -115.662 76.3215 -10.4865 GPRESSURE: 2529200 101.713 80.1786 -96.4441 -68.0525 59.7758 168.145 -195.887 219.676 -5.76028 PRESSAVG: 2529200 -32.0857 -6.74345 0.0957439 -6.74351 27.6694 -45.4737 0.0957243 -45.4736 -10.5989 GPRESSAVG: 2529200 -32.5882 -9.73412 0.61319 -4.89382 27.7987 -44.7676 1.0448 -43.7321 -9.88338 TIMING: 2529200 CPU: 8066.92, 0.00313421/step Wall: 8066.92, 0.00313421/step, 2.15112 hours remaining, 239.585938 MB of memory in use. ENERGY: 2529200 4002.5301 20551.3030 14467.7784 232.7035 -203727.7941 2845.3604 0.0000 0.0000 52238.7788 -109389.3400 300.2170 -161628.1187 -109033.1608 299.2308 26.2532 51.9094 760972.3197 -5.0051 -4.8909 PRESSURE: 2529400 -90.7615 0.364381 -98.7095 0.365419 186.279 -124.528 -98.7104 -124.527 -49.318 GPRESSURE: 2529400 22.486 121.953 -111.812 1.8363 153.79 -249.702 -60.6976 -69.3916 -49.3048 PRESSAVG: 2529400 -24.0726 22.8699 -32.7773 22.87 23.3878 9.90914 -32.7774 9.90911 11.1942 GPRESSAVG: 2529400 -23.948 24.2258 -31.3712 23.2031 24.094 9.5609 -35.2544 9.26972 10.745 TIMING: 2529400 CPU: 8067.55, 0.00313806/step Wall: 8067.55, 0.00313806/step, 2.15358 hours remaining, 239.585938 MB of memory in use. ENERGY: 2529400 4055.5139 20534.0982 14420.9600 232.3221 -203775.8402 2758.4075 0.0000 0.0000 52063.3602 -109711.1783 299.2088 -161774.5385 -109352.9351 298.8200 15.3997 42.3238 760997.0429 3.5031 3.6303 PRESSURE: 2529600 -335.558 341.513 -113.494 341.513 -197.16 -38.1486 -113.494 -38.1475 92.5378 GPRESSURE: 2529600 -230.779 281.105 -159.979 264.365 -225.556 -12.2069 -126.517 -128.405 103.698 PRESSAVG: 2529600 -6.94289 5.3904 -62.307 5.3904 6.64119 -31.8829 -62.307 -31.8828 -7.55778 GPRESSAVG: 2529600 -6.72731 7.94241 -63.573 5.49462 5.09434 -32.7251 -60.1521 -32.1943 -6.80047 TIMING: 2529600 CPU: 8068.18, 0.00314534/step Wall: 8068.18, 0.00314534/step, 2.1584 hours remaining, 239.585938 MB of memory in use. ENERGY: 2529600 3950.6028 20515.6280 14403.5948 241.1159 -203411.7418 2344.7080 0.0000 0.0000 52185.6687 -109770.4237 299.9118 -161956.0924 -109406.2134 298.7068 -146.7267 -117.5457 762166.0219 -2.6198 -2.8111 PRESSURE: 2529800 -295.345 -13.3019 79.573 -13.301 -231.546 -4.95695 79.5728 -4.95807 -79.4259 GPRESSURE: 2529800 -244.521 6.76943 60.1477 14.018 -150.529 34.8548 -5.56122 38.234 -93.5528 PRESSAVG: 2529800 30.6939 -13.1851 -11.1278 -13.1852 -17.7042 -8.24768 -11.1277 -8.24765 10.8081 GPRESSAVG: 2529800 29.2724 -14.4421 -12.4525 -12.4102 -17.1264 -8.20192 -10.9841 -5.68624 10.9616 TIMING: 2529800 CPU: 8068.81, 0.00317527/step Wall: 8068.81, 0.00317527/step, 2.17876 hours remaining, 239.585938 MB of memory in use. ENERGY: 2529800 4019.6518 20308.7408 14417.6425 243.6629 -203413.4963 2609.8181 0.0000 0.0000 51960.6694 -109853.3109 298.6187 -161813.9802 -109490.8119 298.4865 -202.1056 -162.8679 762066.7154 7.9326 7.7025 PRESSURE: 2530000 104.956 -9.72192 -199.152 -9.72231 -13.6098 119.568 -199.153 119.568 -425.846 GPRESSURE: 2530000 176.389 42.5961 -119.722 -69.7112 -7.80163 90.1259 -176.438 31.2464 -417.981 PRESSAVG: 2530000 -5.79392 55.6415 -56.4946 55.6416 12.5379 -24.5461 -56.4946 -24.5461 -18.5252 GPRESSAVG: 2530000 -5.45498 55.0103 -54.6099 53.5978 12.948 -24.9649 -58.29 -25.9118 -19.1233 TIMING: 2530000 CPU: 8069.46, 0.00320711/step Wall: 8069.46, 0.00320711/step, 2.20043 hours remaining, 239.585938 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: 2530000 4039.5440 20494.5000 14525.7404 244.8024 -203468.1805 2566.7798 0.0000 0.0000 51915.1795 -109681.6343 298.3573 -161596.8138 -109327.6565 298.2460 -111.5000 -83.1314 761115.5352 -3.9271 -3.8767 PRESSURE: 2530200 -148.149 174.694 -302.119 174.694 -98.7903 -2.53889 -302.12 -2.54007 494.133 GPRESSURE: 2530200 26.6182 222.961 -385.039 111.256 -130.351 30.0645 -260.231 -59.289 411.18 PRESSAVG: 2530200 -8.37613 51.4889 -71.7207 51.4889 -5.51096 -42.3013 -71.7207 -42.3013 -2.79971 GPRESSAVG: 2530200 -8.24247 53.6696 -71.8872 50.845 -6.00996 -43.0283 -70.9565 -42.0364 -2.57002 TIMING: 2530200 CPU: 8070.09, 0.00318458/step Wall: 8070.09, 0.00318458/step, 2.1848 hours remaining, 239.585938 MB of memory in use. ENERGY: 2530200 4054.1245 20529.5201 14480.0071 245.4922 -203602.5252 2869.2858 0.0000 0.0000 51836.3265 -109587.7691 297.9041 -161424.0956 -109214.1751 298.5813 82.3979 102.4824 761426.3201 -5.5623 -5.6075 PRESSURE: 2530400 -198.956 5.86846 -69.7552 5.86818 323.677 64.6549 -69.7545 64.6539 -137.621 GPRESSURE: 2530400 -160.452 27.7038 13.408 8.17412 307.33 116.213 -124.148 242.807 -76.2435 PRESSAVG: 2530400 19.873 -29.5982 -56.6223 -29.5983 69.5181 -37.381 -56.6224 -37.381 -2.68917 GPRESSAVG: 2530400 19.8644 -32.0497 -57.5679 -26.7543 69.3044 -35.9359 -56.5994 -39.2836 -2.6277 TIMING: 2530400 CPU: 8070.73, 0.00318059/step Wall: 8070.73, 0.00318059/step, 2.18188 hours remaining, 239.585938 MB of memory in use. ENERGY: 2530400 4011.2775 20568.4521 14537.7396 231.1402 -203635.3086 2796.6901 0.0000 0.0000 52004.4257 -109485.5835 298.8701 -161490.0092 -109125.2120 299.1062 -4.3000 23.5451 761869.9293 28.9006 28.8471 PRESSURE: 2530600 -144.12 -70.0338 87.6817 -70.0339 -12.8281 -315.733 87.682 -315.733 -464.525 GPRESSURE: 2530600 -101.796 -120.794 59.644 8.37614 -82.3649 -304.518 12.2965 -205.368 -382.695 PRESSAVG: 2530600 -32.2461 13.3659 -25.503 13.3659 60.6163 -67.7687 -25.5029 -67.7687 19.8631 GPRESSAVG: 2530600 -32.3935 13.6152 -24.3592 12.6847 61.1789 -68.03 -25.5519 -66.5226 18.8285 TIMING: 2530600 CPU: 8071.36, 0.00315437/step Wall: 8071.36, 0.00315437/step, 2.16373 hours remaining, 239.585938 MB of memory in use. ENERGY: 2530600 3953.3716 20477.8953 14533.6104 241.7326 -203291.4898 2512.4053 0.0000 0.0000 52121.3687 -109451.1059 299.5422 -161572.4746 -109079.5270 299.1814 -207.1578 -188.9517 762914.6635 16.0778 15.8713 PRESSURE: 2530800 111.953 199.258 -70.687 199.258 5.98682 -179.968 -70.6882 -179.969 263.314 GPRESSURE: 2530800 197.455 104.77 -183.964 171.499 107.519 -223.409 25.9021 -87.4572 167.841 PRESSAVG: 2530800 16.5862 -2.04594 -47.7797 -2.04596 20.783 -59.7153 -47.7797 -59.7153 3.5847 GPRESSAVG: 2530800 16.5066 -1.32647 -48.7933 -3.35977 20.4038 -60.0455 -46.873 -58.0898 4.34736 TIMING: 2530800 CPU: 8071.99, 0.00315895/step Wall: 8071.99, 0.00315895/step, 2.16669 hours remaining, 239.585938 MB of memory in use. ENERGY: 2530800 3905.4798 20385.3238 14597.9171 273.9565 -203468.9043 2576.3844 0.0000 0.0000 52086.5170 -109643.3256 299.3419 -161729.8426 -109270.2974 298.8211 127.0847 157.6048 759878.0357 13.6513 13.7526 PRESSURE: 2531000 -291.795 -155.803 6.51354 -155.803 -271.456 95.9865 6.51513 95.9865 139.838 GPRESSURE: 2531000 -265.924 -98.4638 -132.717 -150.497 -168.621 96.0374 36.7173 -36.1339 120.49 PRESSAVG: 2531000 -83.6069 8.53218 -3.37632 8.53218 42.3288 -34.218 -3.37633 -34.2181 0.498261 GPRESSAVG: 2531000 -84.1223 9.27386 -2.44702 10.6474 42.9545 -34.0724 -5.87853 -36.5718 0.280456 TIMING: 2531000 CPU: 8072.63, 0.00317458/step Wall: 8072.63, 0.00317458/step, 2.17723 hours remaining, 239.585938 MB of memory in use. ENERGY: 2531000 3951.3454 20450.7856 14460.3066 240.3113 -202946.0161 2427.8082 0.0000 0.0000 51632.3528 -109783.1062 296.7318 -161415.4590 -109423.4207 298.0673 -141.1375 -104.6851 762380.6055 -13.5933 -13.6291 PRESSURE: 2531200 87.7737 125.093 85.4846 125.092 -222.521 -209.398 85.4837 -209.399 -46.5302 GPRESSURE: 2531200 153.878 167.406 94.743 61.4814 -174.524 -200.386 -12.4921 -163.41 -57.9691 PRESSAVG: 2531200 27.9453 -14.9859 -51.7327 -14.9859 -37.1743 -21.6266 -51.7328 -21.6267 -18.2128 GPRESSAVG: 2531200 28.0027 -13.922 -52.6441 -18.5831 -37.0654 -22.3846 -50.9235 -19.8211 -17.94 TIMING: 2531200 CPU: 8073.25, 0.00313827/step Wall: 8073.25, 0.00313827/step, 2.15215 hours remaining, 239.585938 MB of memory in use. ENERGY: 2531200 3939.2840 20333.8678 14499.0235 248.2423 -203343.3166 2545.9236 0.0000 0.0000 52091.4829 -109685.4926 299.3705 -161776.9755 -109311.7290 298.0645 -60.4259 -26.2053 761949.8430 -9.1473 -9.0009 PRESSURE: 2531400 -336.53 136.951 -111.886 136.951 373.478 52.7206 -111.886 52.7216 -75.1302 GPRESSURE: 2531400 -193.748 -93.8163 -89.6938 63.6648 317.507 84.5007 -29.3023 28.1173 -113.506 PRESSAVG: 2531400 -48.9411 -25.7464 -1.93582 -25.7464 -30.7619 -28.0357 -1.93582 -28.0357 -11.7565 GPRESSAVG: 2531400 -49.1518 -28.5943 -0.562675 -23.2408 -30.864 -28.727 -1.06081 -30.1452 -11.3539 TIMING: 2531400 CPU: 8073.89, 0.00316642/step Wall: 8073.89, 0.00316642/step, 2.17129 hours remaining, 239.585938 MB of memory in use. ENERGY: 2531400 3906.8126 20673.8237 14481.2741 233.2164 -203485.0069 2685.1515 0.0000 0.0000 52040.9661 -109463.7625 299.0801 -161504.7286 -109094.1321 298.6506 -12.7274 3.4178 762891.9868 -30.4865 -30.4566 PRESSURE: 2531600 107.411 -130.681 214.712 -130.681 4.10004 -284.837 214.713 -284.836 172.969 GPRESSURE: 2531600 180.285 -75.3934 152.942 -147.648 -56.5625 -261.483 213.514 -270.177 235.039 PRESSAVG: 2531600 -36.4505 5.33282 -10.1286 5.33282 11.1643 -32.5253 -10.1286 -32.5253 18.6271 GPRESSAVG: 2531600 -36.2063 6.62676 -9.9212 4.61538 11.1074 -29.9963 -8.79099 -32.263 18.3176 TIMING: 2531600 CPU: 8074.52, 0.00315808/step Wall: 8074.52, 0.00315808/step, 2.16539 hours remaining, 239.585938 MB of memory in use. ENERGY: 2531600 4057.0828 20393.8244 14446.6465 230.4644 -203813.3531 2861.9492 0.0000 0.0000 52118.5907 -109704.7951 299.5263 -161823.3858 -109343.5195 298.5921 94.8268 119.5871 761404.8304 -2.2197 -2.2605 PRESSURE: 2531800 81.8806 -245.13 100.287 -245.131 301.316 -47.1722 100.286 -47.1728 -10.6465 GPRESSURE: 2531800 98.6309 -146.75 121.709 -101.603 353.644 -29.326 46.2084 71.3777 -12.9327 PRESSAVG: 2531800 38.4363 1.98815 14.3047 1.98815 -17.1436 10.871 14.3047 10.871 -5.8271 GPRESSAVG: 2531800 38.0769 1.53442 15.1769 3.32912 -16.3138 9.08885 10.8475 12.3105 -5.93204 TIMING: 2531800 CPU: 8075.15, 0.00313325/step Wall: 8075.15, 0.00313325/step, 2.14819 hours remaining, 239.585938 MB of memory in use. ENERGY: 2531800 4005.7055 20508.6712 14534.1070 246.2002 -203653.2244 3005.7433 0.0000 0.0000 51898.4129 -109454.3843 298.2609 -161352.7972 -109103.7912 298.3640 124.1833 146.4473 761056.1128 5.1552 5.2770 PRESSURE: 2532000 474.645 -138.082 -106.035 -138.082 -175.057 -59.4587 -106.035 -59.4593 229.732 GPRESSURE: 2532000 494.203 -137.643 -17.5537 -115.66 -72.2035 29.3184 -116.559 10.4469 193.877 PRESSAVG: 2532000 -20.0171 64.8701 8.59195 64.87 15.4626 -23.1109 8.59196 -23.111 9.64302 GPRESSAVG: 2532000 -20.0707 64.0319 8.17584 63.3125 15.2727 -20.9974 9.84646 -25.6482 9.90821 TIMING: 2532000 CPU: 8075.77, 0.00314497/step Wall: 8075.77, 0.00314497/step, 2.15605 hours remaining, 239.585938 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: 2532000 3995.3500 20392.9834 14517.5420 225.1378 -203806.4050 3003.4750 0.0000 0.0000 52317.3418 -109354.5750 300.6685 -161671.9168 -108980.2414 299.0101 176.4396 205.2921 761549.1451 1.6962 1.7034 PRESSURE: 2532200 27.2443 -142.062 -41.4365 -142.063 214.221 193.747 -41.437 193.747 -133.895 GPRESSURE: 2532200 61.4331 -137.164 -114.274 -74.9766 200.331 244.4 74.9709 151.061 -78.8224 PRESSAVG: 2532200 -21.5218 4.63281 59.0589 4.63276 -2.24743 -24.3554 59.0589 -24.3553 -13.1692 GPRESSAVG: 2532200 -22.3927 4.33438 57.6018 4.9355 -2.3434 -27.3809 60.0725 -23.1452 -12.7117 TIMING: 2532200 CPU: 8076.4, 0.00314031/step Wall: 8076.4, 0.00314031/step, 2.15268 hours remaining, 239.585938 MB of memory in use. ENERGY: 2532200 3897.4691 20503.5900 14488.6797 249.1832 -203359.3849 2639.2240 0.0000 0.0000 52136.8233 -109444.4156 299.6310 -161581.2389 -109074.4552 299.0760 35.8570 60.9807 762577.8642 -12.3128 -12.4826 LDB: ============= START OF LOAD BALANCING ============== 8088.85 LDB: ============== END OF LOAD BALANCING =============== 8088.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8088.85 LDB: ============= START OF LOAD BALANCING ============== 8089.17 LDB: Largest compute 7058 load 0.033880 is 17.4% of average load 0.195219 LDB: Average compute 0.004382 is 2.2% of average load 0.195219 LDB: TIME 8089.17 LOAD: AVG 0.195219 MAX 0.21239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8089.17 LOAD: AVG 0.195219 MAX 0.21239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 8089.17 LOAD: AVG 0.195219 MAX 0.21239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 8089.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8089.18 PRESSURE: 2532400 47.9178 -116.952 296.234 -116.952 -101.199 -221.976 296.235 -221.977 148.319 GPRESSURE: 2532400 145.403 -45.0439 210.418 -100.004 -108.244 -139.706 137.24 -239.987 163.587 PRESSAVG: 2532400 -6.24235 21.2205 -7.13202 21.2205 -26.407 -59.9669 -7.13198 -59.9668 10.5458 GPRESSAVG: 2532400 -6.01258 23.3758 -7.85451 20.9277 -26.6716 -57.9548 -8.35162 -58.9885 11.0887 TIMING: 2532400 CPU: 8077.04, 0.00320533/step Wall: 8077.04, 0.00320533/step, 2.19708 hours remaining, 241.320312 MB of memory in use. ENERGY: 2532400 3970.4931 20596.7490 14476.4900 242.5129 -203133.7345 2507.7827 0.0000 0.0000 51916.6898 -109423.0170 298.3659 -161339.7068 -109063.7246 299.0686 31.6793 66.9153 760803.2796 -7.3679 -7.1985 PRESSURE: 2532600 135.598 87.187 -159.447 87.1864 151.125 65.0069 -159.447 65.0056 -94.8697 GPRESSURE: 2532600 94.873 52.9309 -163.129 242.473 238.235 75.3465 -53.9276 28.4098 -59.0809 PRESSAVG: 2532600 26.145 37.6567 -49.044 37.6566 -9.31952 -58.4185 -49.0441 -58.4185 1.18955 GPRESSAVG: 2532600 26.1097 37.2511 -46.8304 37.6934 -8.90596 -59.1326 -49.4754 -58.2343 0.632191 TIMING: 2532600 CPU: 8077.67, 0.00314649/step Wall: 8077.67, 0.00314648/step, 2.15657 hours remaining, 241.390625 MB of memory in use. ENERGY: 2532600 3976.6810 20619.4451 14549.5511 246.1501 -202994.8675 2386.0661 0.0000 0.0000 51911.1743 -109305.7997 298.3342 -161216.9740 -108944.9267 299.1107 63.9510 91.3424 761206.0172 6.0050 5.9453 PRESSURE: 2532800 -157.502 -32.6941 -17.4491 -32.6934 206.902 5.81512 -17.4492 5.8145 31.0292 GPRESSURE: 2532800 -48.2334 28.4038 21.103 -128.602 168.48 56.2355 -129.757 -113.286 45.666 PRESSAVG: 2532800 63.0513 2.91693 29.399 2.91692 -5.50638 -15.7279 29.3989 -15.7279 -5.28114 GPRESSAVG: 2532800 63.7669 0.9746 28.6663 1.18714 -6.19964 -15.8743 32.0821 -17.0016 -5.12864 TIMING: 2532800 CPU: 8078.3, 0.00313236/step Wall: 8078.3, 0.00313236/step, 2.14671 hours remaining, 241.390625 MB of memory in use. ENERGY: 2532800 4064.8772 20720.1923 14573.6336 220.2481 -203490.8351 2577.9988 0.0000 0.0000 51984.2829 -109349.6020 298.7544 -161333.8849 -108986.1434 299.4972 26.8099 55.3043 761558.6510 17.4213 17.4795 PRESSURE: 2533000 -388.793 171.555 -63.4894 171.556 -12.9426 15.4951 -63.4885 15.4959 -141.078 GPRESSURE: 2533000 -251.896 208.169 45.3973 155.596 -22.7521 -7.85455 6.00555 4.23048 -168.188 PRESSAVG: 2533000 -39.8155 -17.6536 16.6597 -17.6536 87.0573 -12.2921 16.6597 -12.2921 -6.58331 GPRESSAVG: 2533000 -39.5549 -16.8993 16.1098 -15.0511 87.4311 -13.1434 14.7732 -11.3454 -7.20957 TIMING: 2533000 CPU: 8078.93, 0.00314677/step Wall: 8078.93, 0.00314677/step, 2.15641 hours remaining, 241.390625 MB of memory in use. ENERGY: 2533000 4028.7407 20515.2999 14610.5626 221.1446 -203654.1597 2657.8190 0.0000 0.0000 52164.0346 -109456.5585 299.7874 -161620.5930 -109087.1308 299.6613 -180.9379 -147.6118 761038.9097 13.5528 13.5556 PRESSURE: 2533200 21.6044 -22.6517 17.8783 -22.6515 255.591 105.787 17.8786 105.786 -147.067 GPRESSURE: 2533200 47.1389 42.2719 -73.9336 -80.436 249.153 148.942 167.691 114.747 -76.1137 PRESSAVG: 2533200 -74.6016 -2.38289 59.0424 -2.38293 96.4155 9.03083 59.0424 9.03086 1.86425 GPRESSAVG: 2533200 -74.6569 -1.20938 59.1383 -3.10979 97.707 9.52861 61.125 8.07616 0.712969 TIMING: 2533200 CPU: 8079.56, 0.00316037/step Wall: 8079.56, 0.00316037/step, 2.16555 hours remaining, 241.390625 MB of memory in use. ENERGY: 2533200 4084.8909 20571.4884 14552.4120 244.4813 -204297.9244 3138.5681 0.0000 0.0000 52113.9595 -109592.1243 299.4996 -161706.0838 -109222.4788 299.7489 43.3764 73.3928 760596.8131 7.8927 7.9210 PRESSURE: 2533400 -161.451 57.5991 -174.175 57.5994 -18.6047 104.144 -174.175 104.144 -115.057 GPRESSURE: 2533400 -54.8763 17.0308 -166.902 44.1375 -62.7204 45.4899 -262.367 131.304 -109.261 PRESSAVG: 2533400 -24.3384 3.50912 47.9442 3.50912 32.1962 6.10743 47.9442 6.10756 -0.869859 GPRESSAVG: 2533400 -24.003 2.30099 48.8053 4.31809 30.9894 5.88002 45.759 7.54255 0.351529 TIMING: 2533400 CPU: 8080.19, 0.00317057/step Wall: 8080.19, 0.00317057/step, 2.17237 hours remaining, 241.390625 MB of memory in use. ENERGY: 2533400 4009.7724 20564.7581 14444.5665 236.1355 -203206.9030 2462.1913 0.0000 0.0000 51869.6937 -109619.7854 298.0958 -161489.4791 -109257.7110 298.3458 -98.3709 -75.6193 763242.8194 2.3293 2.4460 PRESSURE: 2533600 -221.18 253.459 -52.8914 253.459 133.826 22.8361 -52.8905 22.8365 -219.172 GPRESSURE: 2533600 -223.652 168.905 -69.636 224.27 79.1555 164.313 -111.129 -154.2 -64.7111 PRESSAVG: 2533600 -16.2873 10.9295 -14.4072 10.9295 1.58696 -16.9819 -14.4072 -16.9819 5.72563 GPRESSAVG: 2533600 -17.1235 12.3729 -14.1654 9.4224 1.78795 -15.7413 -13.1761 -17.2383 6.36395 TIMING: 2533600 CPU: 8080.83, 0.00318436/step Wall: 8080.83, 0.00318436/step, 2.18164 hours remaining, 241.390625 MB of memory in use. ENERGY: 2533600 3980.2266 20506.4349 14477.9124 233.4304 -203393.5783 2629.8227 0.0000 0.0000 52061.0155 -109504.7358 299.1954 -161565.7513 -109144.2202 298.6966 -102.1755 -69.7359 761483.3827 -2.9916 -2.9905 PRESSURE: 2533800 202.041 -59.4884 -9.574 -59.4881 116.679 72.4856 -9.57416 72.4849 142.045 GPRESSURE: 2533800 327.735 42.1559 -3.65906 37.4752 122.172 32.4853 19.9536 -85.3347 102.97 PRESSAVG: 2533800 3.71071 -4.32579 26.1034 -4.32583 13.8682 -6.35807 26.1034 -6.35813 14.2607 GPRESSAVG: 2533800 4.37968 -4.34873 24.9983 -3.22901 13.2969 -7.5636 25.9499 -7.58136 14.2806 TIMING: 2533800 CPU: 8081.46, 0.00315151/step Wall: 8081.46, 0.00315151/step, 2.15896 hours remaining, 241.390625 MB of memory in use. ENERGY: 2533800 3970.3882 20588.6976 14446.9514 257.0794 -203336.0550 2830.6577 0.0000 0.0000 52062.1866 -109180.0941 299.2021 -161242.2807 -108825.2649 299.6367 153.5883 184.2925 761960.3778 10.6132 10.6524 PRESSURE: 2534000 -173.32 86.6133 208.744 86.6133 148.257 -6.72667 208.744 -6.72692 100.515 GPRESSURE: 2534000 -86.579 71.5094 136.439 23.2824 129.872 19.988 80.1366 -75.6801 99.6676 PRESSAVG: 2534000 -82.006 -15.6016 -19.6628 -15.6016 50.7394 -15.6154 -19.6628 -15.6154 -4.27702 GPRESSAVG: 2534000 -80.3461 -14.7023 -20.8027 -16.0906 50.5485 -14.9519 -19.7919 -16.0038 -6.09299 TIMING: 2534000 CPU: 8082.09, 0.00314615/step Wall: 8082.09, 0.00314615/step, 2.15512 hours remaining, 241.390625 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: 2534000 3968.0330 20389.5206 14496.6760 262.8891 -203382.4557 2827.4440 0.0000 0.0000 52173.7804 -109264.1127 299.8434 -161437.8931 -108889.1870 299.6091 25.1504 47.6534 761122.0693 -11.8479 -11.9635 PRESSURE: 2534200 -114.891 111.8 -101.113 111.8 -122.523 -187.228 -101.113 -187.23 -49.8201 GPRESSURE: 2534200 -59.8094 99.9339 -80.0256 18.3608 -142.749 -274.231 -99.9922 -38.0337 -10.9495 PRESSAVG: 2534200 -11.2814 20.1975 -37.0238 20.1974 4.09551 -29.2392 -37.0237 -29.2393 23.8039 GPRESSAVG: 2534200 -12.9552 17.4817 -35.1673 20.0775 4.58989 -27.3461 -38.5891 -28.555 25.0785 TIMING: 2534200 CPU: 8082.72, 0.00315683/step Wall: 8082.72, 0.00315683/step, 2.16225 hours remaining, 241.390625 MB of memory in use. ENERGY: 2534200 4050.9670 20566.3388 14403.6515 243.0638 -203498.8658 2868.9535 0.0000 0.0000 52003.3940 -109362.4971 298.8642 -161365.8911 -109003.1075 299.5547 -95.7446 -71.1692 761931.7862 5.5393 5.5710 PRESSURE: 2534400 157.814 -169.836 -77.8954 -169.835 1.63357 233.238 -77.895 233.238 -107.451 GPRESSURE: 2534400 259.931 -167.851 16.8479 -82.4219 30.9413 129.663 -25.5124 251.527 -147.093 PRESSAVG: 2534400 -0.215163 50.8853 23.6974 50.8854 38.6173 -21.7954 23.6975 -21.7954 -10.8482 GPRESSAVG: 2534400 -0.0840191 53.2068 23.0817 52.572 38.455 -23.4283 24.7069 -20.6568 -10.726 TIMING: 2534400 CPU: 8083.36, 0.00317813/step Wall: 8083.36, 0.00317813/step, 2.17667 hours remaining, 241.390625 MB of memory in use. ENERGY: 2534400 3896.9532 20333.9919 14511.9283 246.5945 -203353.9555 2549.6567 0.0000 0.0000 52396.3869 -109418.4439 301.1228 -161814.8308 -109045.1169 299.4248 17.3321 47.9264 760375.2315 9.1846 9.2150 PRESSURE: 2534600 -15.0346 12.9215 -172.983 12.9207 81.4448 18.6196 -172.983 18.6199 -211.926 GPRESSURE: 2534600 -0.293814 -67.5724 -165.194 99.5075 115.005 67.6136 -151.544 -250.247 -155.033 PRESSAVG: 2534600 -88.6009 7.60388 -42.6948 7.60386 85.4242 7.95164 -42.6949 7.95159 3.40168 GPRESSAVG: 2534600 -87.2685 7.22684 -43.4153 6.97233 85.0477 9.12536 -42.1796 6.15176 2.60746 TIMING: 2534600 CPU: 8083.99, 0.00314789/step Wall: 8083.99, 0.00314789/step, 2.15578 hours remaining, 241.390625 MB of memory in use. ENERGY: 2534600 3931.9879 20349.2996 14592.3636 254.0960 -203207.6950 2601.8069 0.0000 0.0000 52009.5184 -109468.6225 298.8994 -161478.1409 -109094.1710 298.7080 -48.5054 -13.4407 759838.0269 0.0750 0.1289 PRESSURE: 2534800 349.175 5.00205 53.7031 5.00096 -165.283 173.405 53.703 173.405 287.254 GPRESSURE: 2534800 362.201 30.7403 29.8594 7.61511 -78.5824 99.9766 41.4986 288.123 252.069 PRESSAVG: 2534800 -62.543 30.861 -41.7302 30.861 52.7856 -11.3606 -41.7303 -11.3606 -45.9858 GPRESSAVG: 2534800 -64.6351 32.2572 -40.3654 29.6303 54.8061 -11.4833 -43.4216 -11.0069 -46.3654 TIMING: 2534800 CPU: 8084.62, 0.00314178/step Wall: 8084.62, 0.00314178/step, 2.15142 hours remaining, 241.390625 MB of memory in use. ENERGY: 2534800 4040.3880 20624.3361 14514.1499 264.1187 -203434.2917 2851.5314 0.0000 0.0000 51886.8663 -109252.9014 298.1945 -161139.7677 -108896.2339 299.3112 157.0486 178.5625 760992.9021 -18.5811 -18.7315 PRESSURE: 2535000 -97.6278 17.0809 13.2242 17.0802 284.314 -230.546 13.2235 -230.547 238.928 GPRESSURE: 2535000 -46.3791 37.7789 89.8666 68.703 247.287 -290.849 56.7052 -275.024 302.244 PRESSAVG: 2535000 -27.7485 -6.60328 36.9643 -6.60318 61.9686 -29.7734 36.9642 -29.7735 25.6385 GPRESSAVG: 2535000 -26.9591 -7.44375 35.2983 -6.93724 60.3416 -30.5104 38.5835 -28.7313 26.2447 TIMING: 2535000 CPU: 8085.25, 0.00315267/step Wall: 8085.25, 0.00315267/step, 2.1587 hours remaining, 241.390625 MB of memory in use. ENERGY: 2535000 3974.9805 20542.6192 14482.4273 248.1143 -203294.2109 2610.4143 0.0000 0.0000 52020.9172 -109414.7382 298.9649 -161435.6553 -109055.2669 299.2068 141.8713 167.7176 762215.6368 19.9528 19.8758 PRESSURE: 2535200 28.9641 109.706 -112.281 109.705 -24.6143 -224.198 -112.28 -224.198 136.712 GPRESSURE: 2535200 73.5677 71.3498 -21.662 95.2832 45.8363 -155.107 -106.95 -209.575 101.986 PRESSAVG: 2535200 0.793767 -0.0890771 24.5375 -0.08899 47.5615 -49.7446 24.5374 -49.7447 5.11444 GPRESSAVG: 2535200 0.113231 -0.736779 25.5487 1.48777 47.1532 -49.2299 25.9979 -51.7116 6.2426 TIMING: 2535200 CPU: 8085.88, 0.00317712/step Wall: 8085.88, 0.00317712/step, 2.17527 hours remaining, 241.390625 MB of memory in use. ENERGY: 2535200 4050.2354 20540.2288 14461.5324 250.1339 -203694.4032 2759.6109 0.0000 0.0000 52257.2527 -109375.4092 300.3231 -161632.6619 -109012.6661 299.4882 47.0205 73.7967 762360.8418 17.8232 17.8363 PRESSURE: 2535400 -3.89338 -85.5776 497.764 -85.5775 540.044 -2.19925 497.764 -2.19825 473.668 GPRESSURE: 2535400 142.94 -202.475 456.08 -98.5252 467.714 56.7638 399.353 -33.467 478.401 PRESSAVG: 2535400 9.89689 -2.48398 42.4026 -2.48397 23.724 14.0465 42.4026 14.0464 10.6868 GPRESSAVG: 2535400 11.7471 -5.83817 42.1659 -2.51501 23.1502 13.748 42.2866 16.3375 9.79256 TIMING: 2535400 CPU: 8086.51, 0.00315609/step Wall: 8086.51, 0.00315609/step, 2.1607 hours remaining, 241.390625 MB of memory in use. ENERGY: 2535400 3969.5278 20614.6806 14475.8914 258.1585 -203516.8697 2893.6601 0.0000 0.0000 52120.1058 -109184.8455 299.5350 -161304.9513 -108823.9592 299.5327 336.6063 363.0183 762271.8041 14.7692 14.8966 PRESSURE: 2535600 205.271 -200.11 76.5138 -200.11 -228.241 -176.436 76.515 -176.436 61.1055 GPRESSURE: 2535600 213.291 -169.973 125.152 -167.849 -143.276 -208.439 175.539 -230.378 49.5801 PRESSAVG: 2535600 -0.176293 -27.3419 74.4673 -27.3419 -7.54059 -29.9686 74.4672 -29.9687 19.6438 GPRESSAVG: 2535600 -2.60034 -22.9273 73.3611 -28.6787 -6.9891 -30.0563 71.4604 -31.4736 21.3407 TIMING: 2535600 CPU: 8087.14, 0.00315886/step Wall: 8087.14, 0.00315886/step, 2.16241 hours remaining, 241.390625 MB of memory in use. ENERGY: 2535600 3898.6067 20620.2044 14505.3473 226.7559 -203268.9560 2718.7922 0.0000 0.0000 52097.0138 -109202.2356 299.4023 -161299.2495 -108834.2169 299.4447 12.7118 39.8648 761803.8007 3.9756 3.9171 PRESSURE: 2535800 -324.712 2.08242 33.9761 2.08231 104.568 -135.518 33.9762 -135.517 -312.303 GPRESSURE: 2535800 -278.954 -110.836 115.122 -36.4999 126.621 -65.3007 -24.6198 -85.8348 -314.955 PRESSAVG: 2535800 -18.809 -46.7537 17.2525 -46.7537 15.8314 -36.5292 17.2526 -36.5292 3.92814 GPRESSAVG: 2535800 -18.5789 -50.6755 18.9288 -46.4259 16.4658 -35.5925 18.3991 -34.6461 3.28215 TIMING: 2535800 CPU: 8087.77, 0.00313749/step Wall: 8087.77, 0.00313749/step, 2.14761 hours remaining, 241.390625 MB of memory in use. ENERGY: 2535800 4057.1262 20638.1246 14515.3656 252.1450 -203229.4640 2682.2198 0.0000 0.0000 51877.8812 -109206.6016 298.1429 -161084.4828 -108840.5055 299.9517 -177.4825 -155.7624 760595.1470 0.3168 0.3897 PRESSURE: 2536000 -98.8247 82.4983 50.1201 82.4984 -28.2716 171.587 50.1208 171.586 100.021 GPRESSURE: 2536000 -57.6127 92.9461 -3.96129 -38.3718 -3.77552 200.486 78.9164 151.697 128.217 PRESSAVG: 2536000 20.7179 -32.7062 4.75838 -32.7062 -21.2804 -39.4464 4.75837 -39.4464 -18.6835 GPRESSAVG: 2536000 21.9948 -30.669 2.90618 -32.8789 -22.7825 -42.0703 5.37888 -38.0764 -18.2641 TIMING: 2536000 CPU: 8088.4, 0.00315613/step Wall: 8088.4, 0.00315613/step, 2.1602 hours remaining, 241.390625 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: 2536000 4041.7419 20618.1854 14513.7612 229.3742 -203306.6755 2787.4754 0.0000 0.0000 52150.4159 -108965.7215 299.7092 -161116.1374 -108600.3416 300.1284 -9.0251 22.2764 760687.8081 -6.4153 -6.3506 PRESSURE: 2536200 -257.837 -223.556 121.571 -223.557 -313.369 153.933 121.571 153.932 -275.675 GPRESSURE: 2536200 -243.052 -150.046 157.163 -153.941 -184.099 138.897 191.264 115.229 -335.616 PRESSAVG: 2536200 12.9341 -38.123 7.81776 -38.123 -16.1964 45.119 7.81778 45.119 5.36703 GPRESSAVG: 2536200 12.4269 -39.644 7.39578 -35.291 -14.5363 47.5352 5.87832 41.4359 4.21131 TIMING: 2536200 CPU: 8089.04, 0.00317896/step Wall: 8089.04, 0.00317896/step, 2.17565 hours remaining, 241.390625 MB of memory in use. ENERGY: 2536200 4020.5745 20560.8041 14472.1468 264.3175 -203161.5753 2417.7837 0.0000 0.0000 52421.7029 -109004.2459 301.2682 -161425.9487 -108625.1067 300.4809 -282.2933 -254.2557 762007.7716 0.7016 0.7006 LDB: ============= START OF LOAD BALANCING ============== 8101.49 LDB: ============== END OF LOAD BALANCING =============== 8101.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8101.5 LDB: ============= START OF LOAD BALANCING ============== 8101.82 LDB: Largest compute 7026 load 0.035051 is 17.9% of average load 0.195368 LDB: Average compute 0.004416 is 2.3% of average load 0.195368 LDB: TIME 8101.82 LOAD: AVG 0.195368 MAX 0.212476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.863 MB LDB: TIME 8101.82 LOAD: AVG 0.195368 MAX 0.212476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.906 MB LDB: TIME 8101.82 LOAD: AVG 0.195368 MAX 0.212476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.906 MB LDB: ============== END OF LOAD BALANCING =============== 8101.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8101.83 PRESSURE: 2536400 24.8401 100.946 334.47 100.945 275.477 44.5778 334.47 44.5778 236.094 GPRESSURE: 2536400 110.723 85.0345 308.472 132.348 179.528 51.1816 104.863 113.254 305.787 PRESSAVG: 2536400 22.6289 -3.58636 46.3697 -3.58635 -53.5147 30.6301 46.3696 30.6301 21.2062 GPRESSAVG: 2536400 21.1737 -3.15232 46.855 -5.92952 -53.2747 31.2785 48.2921 31.8413 22.3269 TIMING: 2536400 CPU: 8089.69, 0.00326082/step Wall: 8089.69, 0.00326082/step, 2.23149 hours remaining, 239.835938 MB of memory in use. ENERGY: 2536400 3964.8392 20542.6041 14474.9567 246.1881 -203445.0918 2720.8483 0.0000 0.0000 52324.2699 -109171.3856 300.7083 -161495.6554 -108809.3750 300.0784 178.8037 198.6793 761113.0750 -3.2265 -3.2580 PRESSURE: 2536600 143.611 -265.806 267.528 -265.805 -152.366 97.7061 267.529 97.7067 -184.089 GPRESSURE: 2536600 134.387 -194.636 292.382 -233.824 -142.391 85.1289 214.732 68.4652 -101.26 PRESSAVG: 2536600 13.5087 -48.0596 -33.2767 -48.0595 26.9125 25.3732 -33.2767 25.3732 10.8209 GPRESSAVG: 2536600 16.7234 -48.9665 -32.5957 -48.4793 24.0357 24.839 -33.8172 26.2131 10.9014 TIMING: 2536600 CPU: 8090.33, 0.00317419/step Wall: 8090.33, 0.00317419/step, 2.17203 hours remaining, 239.835938 MB of memory in use. ENERGY: 2536600 3932.2121 20519.2018 14463.9589 255.0552 -202785.8345 2256.6734 0.0000 0.0000 52283.3857 -109075.3473 300.4733 -161358.7329 -108709.0914 299.7385 -64.2815 -36.4214 761606.9246 17.0807 17.2202 PRESSURE: 2536800 137.961 -24.2008 -67.1861 -24.2009 -39.3666 161.905 -67.1865 161.904 132.382 GPRESSURE: 2536800 201.949 -57.1646 -48.2756 -83.3626 5.35627 107.284 -93.7147 121.832 112.773 PRESSAVG: 2536800 -32.6209 -41.323 43.5608 -41.323 -6.26289 43.9538 43.5608 43.954 14.8848 GPRESSAVG: 2536800 -33.8845 -39.5797 42.7035 -41.5769 -4.10157 42.3589 42.8554 40.7796 14.5726 TIMING: 2536800 CPU: 8090.95, 0.00313899/step Wall: 8090.95, 0.00313899/step, 2.14777 hours remaining, 239.835938 MB of memory in use. ENERGY: 2536800 4071.7677 20497.1832 14541.2794 256.6515 -203236.3183 2491.3630 0.0000 0.0000 52234.5554 -109143.5181 300.1927 -161378.0735 -108777.3395 299.3947 76.9922 106.6928 760822.5188 -7.9997 -7.8045 PRESSURE: 2537000 290.486 158.146 -6.5529 158.146 192.676 60.6302 -6.5525 60.63 -393.84 GPRESSURE: 2537000 246.242 222.217 6.95144 -69.6991 226.819 5.95261 -30.6297 252.632 -281.195 PRESSAVG: 2537000 15.1294 -27.9913 40.306 -27.9912 -2.47914 -59.7311 40.306 -59.7312 -21.868 GPRESSAVG: 2537000 14.8858 -27.2445 40.3703 -29.065 -2.48252 -58.067 38.8943 -57.8358 -21.4175 TIMING: 2537000 CPU: 8091.59, 0.00316053/step Wall: 8091.59, 0.00316053/step, 2.16233 hours remaining, 239.835938 MB of memory in use. ENERGY: 2537000 3989.9367 20668.4594 14497.1492 248.2822 -203832.4706 2886.9834 0.0000 0.0000 52267.2451 -109274.4147 300.3806 -161541.6598 -108907.1155 299.6056 29.7740 63.9557 759569.0072 -3.0726 -3.0047 PRESSURE: 2537200 -208.749 -178.53 -72.5647 -178.53 -98.4592 309.235 -72.5648 309.235 102.541 GPRESSURE: 2537200 -114.03 -124.937 11.6945 -83.3385 -102.679 276.75 17.1529 324.555 84.7984 PRESSAVG: 2537200 -46.4658 -34.634 62.3178 -34.634 26.0211 -13.9938 62.3178 -13.9939 -6.5272 GPRESSAVG: 2537200 -45.3152 -36.6178 62.1567 -32.8716 25.5593 -14.612 63.4757 -13.3304 -7.11944 TIMING: 2537200 CPU: 8092.22, 0.00318797/step Wall: 8092.22, 0.00318797/step, 2.18092 hours remaining, 239.835938 MB of memory in use. ENERGY: 2537200 4039.3849 20570.7883 14541.2592 235.5658 -203414.8222 2732.1446 0.0000 0.0000 52092.1463 -109203.5331 299.3743 -161295.6794 -108829.1138 299.3866 -68.2225 -43.9703 760975.1062 -8.9906 -8.9584 PRESSURE: 2537400 -92.7585 -12.8928 -6.8668 -12.8929 355.394 -336.38 -6.86702 -336.381 400.777 GPRESSURE: 2537400 28.8283 -36.4727 -71.1161 -37.3214 347.74 -309.239 60 -304.509 372.326 PRESSAVG: 2537400 37.6692 -78.9278 -41.9138 -78.9278 -68.7166 -55.4248 -41.9139 -55.4247 -8.80057 GPRESSAVG: 2537400 36.3627 -78.9389 -42.0429 -79.3764 -67.7836 -55.6579 -41.4103 -55.445 -8.45319 TIMING: 2537400 CPU: 8092.86, 0.0031847/step Wall: 8092.86, 0.0031847/step, 2.17851 hours remaining, 239.835938 MB of memory in use. ENERGY: 2537400 4008.7002 20471.1166 14448.1245 234.3832 -203505.3938 2731.7503 0.0000 0.0000 52423.1585 -109188.1605 301.2766 -161611.3190 -108821.0574 300.0245 221.1375 249.6316 760819.6589 -13.2826 -13.2913 PRESSURE: 2537600 97.2007 -68.321 163.007 -68.3203 -15.0491 161.488 163.007 161.488 -310.225 GPRESSURE: 2537600 86.0881 -33.3773 85.3454 -163.68 3.80942 123.955 192.993 74.3728 -227.647 PRESSAVG: 2537600 0.973325 -69.0595 -36.6127 -69.0595 -15.8148 -72.2319 -36.6127 -72.2318 -18.8212 GPRESSAVG: 2537600 1.72778 -68.4888 -36.091 -69.0427 -16.7303 -71.9817 -37.5481 -72.8358 -18.4267 TIMING: 2537600 CPU: 8093.5, 0.00320359/step Wall: 8093.5, 0.00320359/step, 2.19125 hours remaining, 239.835938 MB of memory in use. ENERGY: 2537600 4074.5852 20706.0928 14504.4240 257.5121 -203183.9593 2739.7402 0.0000 0.0000 51945.3222 -108956.2828 298.5305 -160901.6050 -108594.8802 299.7748 -76.0246 -45.9166 761728.9512 -11.2209 -11.1431 PRESSURE: 2537800 -226.026 -81.4209 -307.087 -81.4221 -193.855 115.254 -307.086 115.254 -112.251 GPRESSURE: 2537800 -291.918 -66.9719 -413.944 -47.1156 -81.6943 133.778 -189.089 46.844 -77.5275 PRESSAVG: 2537800 3.5897 -58.6719 -74.9197 -58.6719 -25.7541 -20.9447 -74.9198 -20.9447 -20.3099 GPRESSAVG: 2537800 3.24285 -57.8638 -75.2469 -58.9021 -24.3588 -22.1088 -74.2724 -21.2838 -20.8881 TIMING: 2537800 CPU: 8094.14, 0.003176/step Wall: 8094.14, 0.003176/step, 2.1722 hours remaining, 239.835938 MB of memory in use. ENERGY: 2537800 3974.0351 20502.2380 14450.5165 241.5392 -202832.3817 2320.9361 0.0000 0.0000 52105.8827 -109237.2340 299.4532 -161343.1168 -108873.3149 300.1526 -177.3773 -150.3799 761255.3298 -14.1581 -14.0013 PRESSURE: 2538000 -44.8627 37.7519 -93.1759 37.7508 48.9083 195.995 -93.1763 195.997 90.0885 GPRESSURE: 2538000 10.2078 -100.399 -166.044 -55.9242 118.951 281.168 -63.4719 95.1248 38.5992 PRESSAVG: 2538000 -15.2653 -50.3769 39.783 -50.3769 20.8528 -25.2985 39.7831 -25.2984 21.0405 GPRESSAVG: 2538000 -16.7259 -52.0496 38.878 -48.527 20.2674 -22.7057 39.3721 -25.4635 22.0357 TIMING: 2538000 CPU: 8094.77, 0.00317191/step Wall: 8094.77, 0.00317191/step, 2.16923 hours remaining, 239.835938 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: 2538000 3932.6527 20484.8633 14460.0312 240.5303 -202963.2679 2539.1735 0.0000 0.0000 51918.0245 -109387.9924 298.3736 -161306.0169 -109032.2587 299.3521 31.3781 55.9192 761191.0183 8.8760 8.5257 PRESSURE: 2538200 -126.656 -210.161 293.103 -210.162 367.474 -43.167 293.103 -43.1682 241.025 GPRESSURE: 2538200 -96.7575 -191.387 277.829 -84.0526 428.555 -35.0445 281.293 -104.412 241.282 PRESSAVG: 2538200 -15.9782 -59.5267 -26.23 -59.5267 -26.2949 21.3092 -26.23 21.3092 -2.97749 GPRESSAVG: 2538200 -14.366 -56.7273 -24.8731 -60.1987 -25.8069 19.4282 -25.4805 19.3052 -4.65355 TIMING: 2538200 CPU: 8095.4, 0.00315289/step Wall: 8095.4, 0.00315289/step, 2.15605 hours remaining, 239.835938 MB of memory in use. ENERGY: 2538200 3923.7956 20638.4949 14452.7622 235.2929 -203431.8056 2780.9589 0.0000 0.0000 52057.4429 -109343.0582 299.1748 -161400.5011 -108990.7886 299.1949 160.6142 191.0266 761735.9127 -15.0835 -14.9422 PRESSURE: 2538400 -253.107 83.0028 -58.5193 83.0023 -84.389 -7.29864 -58.5196 -7.29853 58.8273 GPRESSURE: 2538400 -130.086 95.4812 133.833 138.037 -57.2462 1.13299 -120.746 90.6785 -8.41622 PRESSAVG: 2538400 29.8863 -38.1117 44.042 -38.1117 -40.6915 -5.8453 44.042 -5.84525 -10.5065 GPRESSAVG: 2538400 30.5035 -38.045 43.759 -38.9746 -40.9446 -8.24329 42.4561 -2.24836 -10.641 TIMING: 2538400 CPU: 8096.03, 0.00314886/step Wall: 8096.03, 0.00314886/step, 2.15312 hours remaining, 239.835938 MB of memory in use. ENERGY: 2538400 3972.8656 20519.4551 14533.3963 238.1681 -203028.5609 2284.1015 0.0000 0.0000 52299.2506 -109181.3237 300.5645 -161480.5742 -108821.0449 299.8008 -92.8896 -65.2495 760470.5608 -7.1039 -7.0274 PRESSURE: 2538600 215.288 -243.057 95.7699 -243.057 -321.414 -154.975 95.7705 -154.976 -26.8817 GPRESSURE: 2538600 130.445 -153.166 166.24 -161.394 -323.92 -222.736 57.9826 -137.869 139.032 PRESSAVG: 2538600 49.3202 -7.22044 -8.42893 -7.22046 -16.9659 -22.267 -8.42899 -22.267 -4.30807 GPRESSAVG: 2538600 49.7789 -7.70712 -6.31797 -8.00017 -17.4356 -22.1871 -9.75059 -20.8382 -4.25249 TIMING: 2538600 CPU: 8096.67, 0.00317341/step Wall: 8096.67, 0.00317341/step, 2.16973 hours remaining, 239.835938 MB of memory in use. ENERGY: 2538600 3957.3390 20770.4821 14514.2274 225.5810 -203233.0572 2592.8349 0.0000 0.0000 51966.3692 -109206.2236 298.6514 -161172.5928 -108859.8340 299.7533 -44.3356 -18.1477 763754.3057 9.3487 9.3636 PRESSURE: 2538800 -172.41 25.1183 15.1103 25.1194 174.76 -51.9564 15.1099 -51.9579 205.091 GPRESSURE: 2538800 -29.3061 138.464 -30.9985 11.8646 159.61 3.06752 -55.1313 -235.888 178.49 PRESSAVG: 2538800 0.925911 -19.6076 -31.8336 -19.6075 -4.44019 -10.1975 -31.8337 -10.1975 -11.3239 GPRESSAVG: 2538800 0.298756 -17.4229 -33.7005 -18.954 -3.68512 -7.91289 -29.3985 -11.0047 -11.2825 TIMING: 2538800 CPU: 8097.29, 0.00314163/step Wall: 8097.29, 0.00314163/step, 2.14783 hours remaining, 239.835938 MB of memory in use. ENERGY: 2538800 3966.3650 20478.8883 14413.0235 238.5880 -202991.4975 2540.3219 0.0000 0.0000 52135.3346 -109218.9761 299.6225 -161354.3107 -108850.2524 299.6023 69.1473 102.9312 762775.4706 -4.9461 -4.8896 PRESSURE: 2539000 273.568 -158.916 -35.0015 -158.916 -49.2148 176.148 -35.0019 176.147 -362.931 GPRESSURE: 2539000 228.716 -252.721 -56.6209 -99.172 21.307 209.513 -91.9523 119.117 -308.471 PRESSAVG: 2539000 -0.0332727 -13.5664 26.155 -13.5665 -3.33153 -11.0088 26.155 -11.009 -10.9004 GPRESSAVG: 2539000 -0.70196 -16.0773 25.8178 -12.9305 -3.40232 -11.17 27.0352 -12.9491 -10.7614 TIMING: 2539000 CPU: 8097.92, 0.00315114/step Wall: 8097.92, 0.00315114/step, 2.15416 hours remaining, 239.835938 MB of memory in use. ENERGY: 2539000 3994.8242 20456.7148 14465.4881 260.2247 -203343.3134 2609.4810 0.0000 0.0000 51928.4782 -109628.1026 298.4337 -161556.5808 -109257.6598 298.7915 -46.1929 -19.4827 761824.5891 -4.7551 -4.9552 PRESSURE: 2539200 -621.214 -96.889 91.8382 -96.8885 -454.438 25.5894 91.8382 25.5891 -328.397 GPRESSURE: 2539200 -527.518 -63.4335 181.728 -227.058 -406.508 50.2648 71.6513 147.771 -374.226 PRESSAVG: 2539200 3.02695 0.466574 23.3895 0.466589 3.91166 -4.02306 23.3895 -4.02318 -4.10334 GPRESSAVG: 2539200 3.75794 -0.167823 24.4926 -1.75456 3.21199 -3.97667 22.076 -3.40239 -4.11799 TIMING: 2539200 CPU: 8098.56, 0.00315649/step Wall: 8098.56, 0.00315649/step, 2.15763 hours remaining, 239.835938 MB of memory in use. ENERGY: 2539200 3994.6379 20458.5369 14517.0256 242.2275 -203166.9029 2150.8520 0.0000 0.0000 52092.0119 -109711.6112 299.3735 -161803.6231 -109345.4879 298.5409 -468.0163 -436.0840 762169.9821 0.9451 0.9506 PRESSURE: 2539400 353.611 -79.8929 -327.695 -79.8928 406.617 22.3383 -327.694 22.3381 -82.9277 GPRESSURE: 2539400 408.402 -18.9399 -299.132 122.536 364.022 -11.2019 -288.683 57.2274 -18.8118 PRESSAVG: 2539400 31.4225 -0.754652 -35.1036 -0.754621 -8.27553 -42.4008 -35.1036 -42.4008 5.06698 GPRESSAVG: 2539400 30.8935 -1.27391 -36.8164 2.84078 -7.888 -42.6727 -32.997 -41.9113 5.03009 TIMING: 2539400 CPU: 8099.19, 0.00316312/step Wall: 8099.19, 0.00316312/step, 2.16199 hours remaining, 239.835938 MB of memory in use. ENERGY: 2539400 3970.4678 20553.4651 14509.1661 244.9084 -203759.8210 2830.7257 0.0000 0.0000 51962.4706 -109688.6171 298.6290 -161651.0877 -109333.3621 298.7021 225.7668 251.2041 760168.8581 9.4047 9.3452 PRESSURE: 2539600 46.4333 -35.3304 84.478 -35.3297 -100.232 -342.136 84.4782 -342.135 34.1832 GPRESSURE: 2539600 37.3826 -45.9753 112.295 2.83698 -51.9076 -392.904 -85.4762 -388.942 79.524 PRESSAVG: 2539600 44.867 8.61231 -73.5177 8.61234 -30.3541 -37.1849 -73.5176 -37.1849 -13.8174 GPRESSAVG: 2539600 44.2425 10.2334 -73.2862 6.15296 -29.4084 -38.1726 -76.1628 -36.8141 -14.7001 TIMING: 2539600 CPU: 8099.82, 0.00317954/step Wall: 8099.82, 0.00317954/step, 2.17304 hours remaining, 239.835938 MB of memory in use. ENERGY: 2539600 3993.5584 20462.1048 14512.0166 273.5318 -203278.7899 2592.6986 0.0000 0.0000 51941.4112 -109503.4684 298.5080 -161444.8796 -109141.7654 298.8640 -6.5386 21.6663 761088.1925 0.2319 0.0447 PRESSURE: 2539800 -48.982 -132.078 -68.481 -132.079 -225.843 -5.4137 -68.4802 -5.4146 -69.5218 GPRESSURE: 2539800 -69.097 -168.546 31.8451 -130.838 -162.386 44.404 -1.60121 -68.2311 -26.217 PRESSAVG: 2539800 22.751 7.78996 -11.3642 7.79 -18.3238 -24.5537 -11.3641 -24.5537 15.0301 GPRESSAVG: 2539800 21.6149 7.41493 -9.49755 9.83973 -18.3011 -22.6884 -9.56465 -27.1321 15.6029 TIMING: 2539800 CPU: 8100.45, 0.00314332/step Wall: 8100.45, 0.00314332/step, 2.14811 hours remaining, 239.835938 MB of memory in use. ENERGY: 2539800 3984.5638 20616.6586 14541.8084 237.9282 -203402.4937 2602.0283 0.0000 0.0000 51944.0102 -109475.4962 298.5229 -161419.5064 -109113.5594 299.2400 -114.7822 -85.9001 760667.3051 6.4858 6.3056 PRESSURE: 2540000 -371.411 -115.576 -47.6904 -115.575 -199.446 109.119 -47.6892 109.119 -71.5178 GPRESSURE: 2540000 -325.557 -147.007 -48.9893 -96.0648 -180.2 32.0648 -172.389 56.7218 -58.2749 PRESSAVG: 2540000 -24.4379 -28.1289 -15.9243 -28.1288 -4.99164 -55.1177 -15.9243 -55.1177 2.1993 GPRESSAVG: 2540000 -23.4569 -25.8502 -16.1921 -29.9438 -6.05111 -56.7977 -17.9616 -53.4447 2.50473 TIMING: 2540000 CPU: 8101.08, 0.00313761/step Wall: 8101.08, 0.00313761/step, 2.14403 hours remaining, 239.835938 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: 2540000 4017.1939 20448.6213 14472.1644 262.4064 -202960.6441 2306.8763 0.0000 0.0000 52000.9113 -109452.4704 298.8500 -161453.3817 -109086.3627 299.1550 -214.1251 -188.0108 761788.6661 -9.0767 -9.0011 PRESSURE: 2540200 -134.128 -77.5702 541.185 -77.5714 142.729 -51.0572 541.184 -51.0566 -114.498 GPRESSURE: 2540200 -63.9817 -123.718 592.681 8.9601 209.148 -85.3173 414.526 -2.3032 -159.668 PRESSAVG: 2540200 -19.2715 -5.94037 -21.5755 -5.94041 45.0262 -3.46269 -21.5755 -3.46268 18.4252 GPRESSAVG: 2540200 -20.1167 -5.89724 -20.9864 -5.54253 46.7886 -2.60964 -22.4661 -3.25327 16.9253 TIMING: 2540200 CPU: 8101.71, 0.00312634/step Wall: 8101.71, 0.00312634/step, 2.13616 hours remaining, 239.835938 MB of memory in use. ENERGY: 2540200 4016.6906 20548.6944 14496.2840 269.2311 -203517.7004 2617.4328 0.0000 0.0000 51884.4792 -109684.8882 298.1808 -161569.3675 -109327.7534 299.2515 -35.2989 -4.8337 760028.1549 14.7267 14.5324 LDB: ============= START OF LOAD BALANCING ============== 8114.16 LDB: ============== END OF LOAD BALANCING =============== 8114.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8114.16 LDB: ============= START OF LOAD BALANCING ============== 8114.47 LDB: Largest compute 7073 load 0.035581 is 18.2% of average load 0.195315 LDB: Average compute 0.004390 is 2.2% of average load 0.195315 LDB: TIME 8114.48 LOAD: AVG 0.195315 MAX 0.212809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 8114.48 LOAD: AVG 0.195315 MAX 0.212809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 8114.48 LOAD: AVG 0.195315 MAX 0.212809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 8114.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8114.48 PRESSURE: 2540400 -371.823 -325.078 18.2936 -325.078 52.4767 -80.435 18.2928 -80.4358 95.3223 GPRESSURE: 2540400 -309.185 -277.015 -23.9706 -383.553 58.5844 -11.3966 93.083 -90.1532 115.902 PRESSAVG: 2540400 -21.4453 -49.2081 -5.51321 -49.2081 -10.5485 -57.5279 -5.51322 -57.528 24.9461 GPRESSAVG: 2540400 -21.158 -49.1953 -6.69442 -50.3574 -11.7516 -57.4623 -3.43206 -56.9482 25.7928 TIMING: 2540400 CPU: 8102.35, 0.00320796/step Wall: 8102.35, 0.00320796/step, 2.19175 hours remaining, 239.324219 MB of memory in use. ENERGY: 2540400 3990.8830 20397.2452 14543.6352 247.4323 -203606.7777 2682.4792 0.0000 0.0000 52245.1248 -109499.9780 300.2535 -161745.1028 -109131.2475 299.0714 -74.6746 -44.8997 760218.0572 -2.3492 -2.3723 PRESSURE: 2540600 -377.14 -230.281 7.32646 -230.282 88.4305 -53.1226 7.32621 -53.1239 15.7984 GPRESSURE: 2540600 -442.366 -155.832 -37.5159 -134.498 121.41 74.8057 -68.3114 -69.6585 131.478 PRESSAVG: 2540600 -5.69767 -66.0009 20.5462 -66.001 20.0944 -41.4472 20.5462 -41.4472 4.93 GPRESSAVG: 2540600 -5.29996 -65.8694 21.0973 -64.7677 19.2356 -38.9733 18.9316 -42.3665 5.63468 TIMING: 2540600 CPU: 8102.98, 0.00316749/step Wall: 8102.98, 0.00316749/step, 2.16392 hours remaining, 239.324219 MB of memory in use. ENERGY: 2540600 4024.7366 20514.3277 14471.4151 264.4930 -203405.0646 2611.8870 0.0000 0.0000 52186.4820 -109331.7231 299.9164 -161518.2051 -108964.3398 299.4992 -90.9705 -63.1594 761353.9769 6.4423 6.5234 PRESSURE: 2540800 314.123 129.948 239.531 129.947 17.1011 185.252 239.531 185.25 324.966 GPRESSURE: 2540800 312.707 96.7658 273.756 78.191 100.044 228.445 169.556 1.45216 325.866 PRESSAVG: 2540800 -20.238 -44.4143 -4.705 -44.4142 14.8047 -66.0799 -4.70496 -66.0798 -26.4944 GPRESSAVG: 2540800 -21.2592 -43.3421 -4.73072 -44.3795 15.5461 -69.1013 -3.51433 -68.2006 -26.2928 TIMING: 2540800 CPU: 8103.61, 0.00313851/step Wall: 8103.61, 0.00313851/step, 2.14395 hours remaining, 239.324219 MB of memory in use. ENERGY: 2540800 3985.6842 20448.4461 14513.4132 252.1175 -203222.5406 2604.4057 0.0000 0.0000 52039.5504 -109378.9233 299.0720 -161418.4738 -109018.5753 299.1243 218.7299 246.2056 762279.7063 -10.6426 -10.6686 PRESSURE: 2541000 560.126 51.626 -37.6734 51.6253 573.545 -395.177 -37.6734 -395.177 271.837 GPRESSURE: 2541000 534.859 -69.8746 -6.63988 47.8203 708.131 -494.741 -107.067 -166.774 234.538 PRESSAVG: 2541000 -28.7267 8.00271 -52.2923 8.00268 22.8856 -20.9124 -52.2923 -20.9124 20.0435 GPRESSAVG: 2541000 -28.1354 5.82652 -51.5038 7.79194 22.5009 -19.9713 -52.7208 -20.5003 19.967 TIMING: 2541000 CPU: 8104.24, 0.00315769/step Wall: 8104.24, 0.00315769/step, 2.15688 hours remaining, 239.324219 MB of memory in use. ENERGY: 2541000 4000.1015 20470.9915 14488.6853 253.5477 -203947.2405 3107.6076 0.0000 0.0000 52222.2139 -109404.0929 300.1218 -161626.3069 -109047.2800 299.7741 468.5026 492.5095 759909.0501 4.7341 4.7775 PRESSURE: 2541200 -160.708 86.5905 -123.336 86.5915 162.466 92.1857 -123.336 92.1866 82.0957 GPRESSURE: 2541200 -118.922 26.385 -104.311 105.536 114.569 86.7096 -87.7768 -49.1437 155.626 PRESSAVG: 2541200 -16.14 -64.2502 7.10454 -64.2503 21.4721 -20.9546 7.1045 -20.9547 7.92841 GPRESSAVG: 2541200 -16.6414 -63.2632 5.64427 -64.3821 21.177 -21.923 8.76726 -19.2243 8.05621 TIMING: 2541200 CPU: 8104.87, 0.0031396/step Wall: 8104.87, 0.0031396/step, 2.14435 hours remaining, 239.324219 MB of memory in use. ENERGY: 2541200 3997.4934 20572.9368 14539.6997 232.7192 -204017.9537 3007.1431 0.0000 0.0000 52188.3399 -109479.6215 299.9271 -161667.9614 -109129.8344 299.5218 27.9512 50.4244 761414.7781 4.4202 4.1973 PRESSURE: 2541400 -47.0024 -87.3056 131.107 -87.3056 6.64522 -129.009 131.107 -129.008 -340.7 GPRESSURE: 2541400 -97.6002 -139.059 0.734453 -49.8002 96.12 -87.123 3.84132 -67.524 -290.225 PRESSAVG: 2541400 -4.19795 -27.8515 -16.9254 -27.8516 -44.5853 -28.6304 -16.9254 -28.6304 22.2468 GPRESSAVG: 2541400 -3.90366 -28.3904 -18.5954 -27.3188 -44.032 -29.2063 -18.0132 -28.1901 21.8986 TIMING: 2541400 CPU: 8105.5, 0.00315303/step Wall: 8105.5, 0.00315303/step, 2.15335 hours remaining, 239.324219 MB of memory in use. ENERGY: 2541400 4019.1593 20531.9616 14554.1866 260.4379 -203316.4354 2517.9245 0.0000 0.0000 52060.7487 -109372.0166 299.1938 -161432.7654 -109008.9941 299.1344 -127.0192 -97.2351 760078.3807 -8.8455 -8.6790 PRESSURE: 2541600 -240.398 4.68942 -1.8001 4.69072 -260.692 141.621 -1.7994 141.621 -120.448 GPRESSURE: 2541600 -157.511 -49.2441 -135.102 -10.8244 -238.126 42.8948 128.234 61.6433 -137.888 PRESSAVG: 2541600 -18.9041 -17.2313 35.4738 -17.2313 54.2823 -62.6037 35.4739 -62.6037 6.34752 GPRESSAVG: 2541600 -18.9186 -17.3085 36.2951 -17.271 53.6111 -61.6758 34.7212 -63.2343 6.57813 TIMING: 2541600 CPU: 8106.13, 0.00317011/step Wall: 8106.13, 0.00317011/step, 2.16483 hours remaining, 239.324219 MB of memory in use. ENERGY: 2541600 3985.5449 20534.2748 14528.4229 235.8001 -203208.4421 2365.5695 0.0000 0.0000 52130.5565 -109428.2735 299.5950 -161558.8300 -109055.9137 299.3494 -207.1793 -177.8419 760879.5230 13.9086 13.7569 PRESSURE: 2541800 -96.5529 92.7058 -78.6712 92.7054 -70.7448 115.244 -78.6698 115.244 -0.802916 GPRESSURE: 2541800 -47.5948 -18.0099 -54.0988 -2.5544 -56.8418 65.9987 2.37505 171.079 35.8578 PRESSAVG: 2541800 -66.2645 -10.6597 14.5432 -10.6597 77.6037 -67.0591 14.5432 -67.0592 -17.1668 GPRESSAVG: 2541800 -66.5576 -12.4588 12.8543 -8.28367 77.8409 -68.3911 15.8843 -67.1051 -16.9001 TIMING: 2541800 CPU: 8106.76, 0.00315759/step Wall: 8106.76, 0.00315759/step, 2.15611 hours remaining, 239.324219 MB of memory in use. ENERGY: 2541800 4011.8857 20492.5945 14583.5313 245.5610 -203134.3054 2536.3494 0.0000 0.0000 52207.2837 -109057.0998 300.0360 -161264.3836 -108693.1648 299.0768 -56.0335 -22.8596 762919.4654 -1.9425 -1.8723 PRESSURE: 2542000 130.345 -25.156 -156.72 -25.1563 80.8996 -12.2458 -156.721 -12.2472 70.7334 GPRESSURE: 2542000 82.6069 -101.614 -196.894 -54.8059 189.256 28.4905 -258.451 -32.0315 83.5875 PRESSAVG: 2542000 -28.2571 -44.9116 -65.8799 -44.9115 -8.71165 -60.2553 -65.8799 -60.2553 1.56035 GPRESSAVG: 2542000 -29.1886 -44.949 -64.4429 -45.9763 -7.12101 -59.3026 -66.0051 -59.5621 0.517607 TIMING: 2542000 CPU: 8107.39, 0.00314524/step Wall: 8107.39, 0.00314524/step, 2.1475 hours remaining, 239.324219 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: 2542000 4035.1476 20540.6684 14610.8367 259.4361 -203364.9048 2625.4073 0.0000 0.0000 52130.9216 -109162.4871 299.5971 -161293.4087 -108799.8644 299.9650 93.9927 118.4835 762228.3578 -11.8028 -11.9307 PRESSURE: 2542200 35.0371 22.1841 103.836 22.1849 32.9371 20.4063 103.837 20.405 -289.08 GPRESSURE: 2542200 46.5434 121.488 61.1588 -40.7788 54.0364 -80.4686 134.608 -7.59531 -249.521 PRESSAVG: 2542200 48.2047 -60.9168 -39.0328 -60.9168 5.65346 -39.7365 -39.0327 -39.7365 5.61781 GPRESSAVG: 2542200 48.8327 -58.8264 -38.7423 -60.3255 4.98508 -40.6673 -38.0995 -42.2161 5.90417 TIMING: 2542200 CPU: 8108.02, 0.00314499/step Wall: 8108.02, 0.00314499/step, 2.14715 hours remaining, 239.324219 MB of memory in use. ENERGY: 2542200 4031.1573 20700.8937 14553.1411 242.5384 -203706.5092 2798.9892 0.0000 0.0000 52138.8989 -109240.8906 299.6430 -161379.7895 -108885.0998 299.7369 -73.7018 -49.6470 761783.2029 19.8253 19.9073 PRESSURE: 2542400 -423.696 -31.2833 -10.6425 -31.2838 23.2818 -88.094 -10.6428 -88.0937 -361.348 GPRESSURE: 2542400 -360.525 -187.807 -157.742 -78.3289 -20.3318 -52.9719 -115.641 -253.212 -294.473 PRESSAVG: 2542400 -80.6687 -23.5934 -35.3152 -23.5934 4.97925 -19.0591 -35.3152 -19.0591 6.85504 GPRESSAVG: 2542400 -80.0909 -21.1808 -34.1872 -25.0471 4.31397 -18.2065 -36.4745 -18.5436 6.98796 TIMING: 2542400 CPU: 8108.65, 0.00314246/step Wall: 8108.65, 0.00314246/step, 2.14525 hours remaining, 239.324219 MB of memory in use. ENERGY: 2542400 3988.1333 20516.1268 14572.1669 236.4396 -203329.0437 2582.0438 0.0000 0.0000 52396.9567 -109037.1767 301.1260 -161434.1334 -108680.6921 300.1597 -253.9207 -225.1097 760342.0474 -22.9448 -22.9297 PRESSURE: 2542600 -174.144 178.034 -69.5668 178.035 -335.684 -191.197 -69.5668 -191.197 61.5283 GPRESSURE: 2542600 -211.18 176.774 -48.3858 178.608 -186.151 -189.391 -122.468 -112.562 20.3655 PRESSAVG: 2542600 -6.10593 -25.8186 7.24309 -25.8186 10.3284 -31.6798 7.24308 -31.6798 -3.44714 GPRESSAVG: 2542600 -7.10279 -29.5469 6.67139 -27.5741 11.363 -32.7506 5.57352 -29.2916 -3.25364 TIMING: 2542600 CPU: 8109.28, 0.00313105/step Wall: 8109.28, 0.00313105/step, 2.13729 hours remaining, 239.324219 MB of memory in use. ENERGY: 2542600 3992.0959 20574.0044 14518.2039 253.6853 -202663.4682 2158.7966 0.0000 0.0000 52063.7305 -109102.9514 299.2110 -161166.6820 -108738.7488 300.1992 -149.4330 -125.6553 762360.8585 0.2584 0.3355 PRESSURE: 2542800 -276.722 -330.497 -178.854 -330.497 256.035 59.2835 -178.853 59.2839 7.12401 GPRESSURE: 2542800 -156.562 -183.203 -276.809 -178.153 223.287 133.536 27.5431 115.414 8.19881 PRESSAVG: 2542800 -34.8006 -51.8891 12.9895 -51.8891 19.326 -20.0015 12.9895 -20.0015 16.1703 GPRESSAVG: 2542800 -33.4933 -50.7246 13.9147 -47.0531 18.0758 -18.7121 12.1777 -21.8601 16.518 TIMING: 2542800 CPU: 8109.9, 0.00312655/step Wall: 8109.9, 0.00312655/step, 2.13405 hours remaining, 239.324219 MB of memory in use. ENERGY: 2542800 3916.3723 20440.8578 14529.7249 267.4947 -202821.4853 2310.0739 0.0000 0.0000 52092.0206 -109264.9411 299.3736 -161356.9617 -108903.1403 299.7243 -4.5210 24.9747 762302.3588 0.2319 0.3668 PRESSURE: 2543000 -139.655 70.4427 -31.9355 70.4416 351.599 -9.27471 -31.9361 -9.27387 -112.407 GPRESSURE: 2543000 -32.05 53.2736 9.43583 -15.3279 349.438 3.88987 5.91983 65.1046 -137.34 PRESSAVG: 2543000 17.9172 -20.0826 -22.0005 -20.0826 44.1979 -37.2639 -22.0005 -37.264 -1.15574 GPRESSAVG: 2543000 17.97 -18.5874 -21.2444 -25.1075 43.5585 -36.9226 -18.5618 -36.1615 -1.26031 TIMING: 2543000 CPU: 8110.53, 0.00315173/step Wall: 8110.53, 0.00315173/step, 2.15106 hours remaining, 239.324219 MB of memory in use. ENERGY: 2543000 3956.2130 20432.8940 14501.3505 244.3291 -202740.4818 2273.7731 0.0000 0.0000 52053.6382 -109278.2839 299.1530 -161331.9221 -108917.1321 299.3385 33.1790 60.0160 759912.9836 20.3198 20.0894 PRESSURE: 2543200 288.734 212.643 6.11081 212.642 208.429 30.4175 6.11064 30.419 192.757 GPRESSURE: 2543200 368.793 123.629 138.541 143.915 155.637 118.916 -77.4907 -99.1595 259.436 PRESSAVG: 2543200 7.89246 -11.9719 20.6587 -11.9719 -6.10938 -30.6208 20.6587 -30.6208 21.377 GPRESSAVG: 2543200 8.24665 -14.7879 18.5978 -10.8901 -5.64869 -30.89 20.9943 -31.6816 20.6771 TIMING: 2543200 CPU: 8111.17, 0.00317521/step Wall: 8111.17, 0.00317521/step, 2.1669 hours remaining, 239.324219 MB of memory in use. ENERGY: 2543200 4020.0454 20562.5404 14527.0951 253.4644 -203663.1448 2868.6441 0.0000 0.0000 52328.8399 -109102.5155 300.7346 -161431.3554 -108744.6883 299.5006 229.9733 261.2887 760306.8082 7.7200 7.7584 PRESSURE: 2543400 -320.237 36.3308 87.9376 36.3312 -217.404 -171.332 87.9376 -171.332 -149.582 GPRESSURE: 2543400 -282.646 79.0462 26.2134 -85.0111 -184.328 -213.816 167.537 -130.82 -128.274 PRESSAVG: 2543400 19.1798 -37.1535 89.6539 -37.1535 -30.9143 -57.183 89.6539 -57.183 -12.9836 GPRESSAVG: 2543400 17.6043 -36.766 88.6836 -37.2929 -28.8985 -56.9806 87.7943 -57.3649 -13.4026 TIMING: 2543400 CPU: 8111.8, 0.0031506/step Wall: 8111.8, 0.0031506/step, 2.14994 hours remaining, 239.324219 MB of memory in use. ENERGY: 2543400 3982.4183 20712.5927 14463.5710 250.3616 -202943.1386 2391.0338 0.0000 0.0000 52015.1876 -109127.9735 298.9320 -161143.1611 -108767.3144 300.3267 -229.0743 -198.4160 763953.9832 -8.2394 -8.2323 PRESSURE: 2543600 -7.76342 -50.8371 206.106 -50.8374 -383.363 -17.7737 206.105 -17.7738 -205.225 GPRESSURE: 2543600 65.8734 -5.43867 287.32 -64.8012 -324.218 -51.6455 103.084 210.406 -279.221 PRESSAVG: 2543600 -0.326168 -10.9496 33.146 -10.9496 -8.66281 -31.7329 33.146 -31.733 19.6878 GPRESSAVG: 2543600 0.706892 -9.4879 32.9323 -11.3294 -11.2394 -32.5337 34.269 -29.3092 20.687 TIMING: 2543600 CPU: 8112.43, 0.00318084/step Wall: 8112.43, 0.00318084/step, 2.17039 hours remaining, 239.324219 MB of memory in use. ENERGY: 2543600 4032.9024 20673.9410 14484.3569 243.2110 -203567.6667 2678.0224 0.0000 0.0000 52283.4453 -109171.7876 300.4737 -161455.2329 -108800.3635 299.9344 -198.7837 -179.1887 761853.5233 3.5663 3.3848 PRESSURE: 2543800 -63.5378 -158.974 -44.4895 -158.974 151.964 229.884 -44.4893 229.886 119.737 GPRESSURE: 2543800 -117.675 -94.1173 18.8825 -148.737 216.383 215.384 7.88234 129.889 200.16 PRESSAVG: 2543800 -0.0701592 10.6822 8.72194 10.6822 -11.4067 -29.9407 8.72195 -29.9406 28.5778 GPRESSAVG: 2543800 0.469346 7.89917 10.1251 12.3895 -11.925 -28.9364 9.07283 -31.0082 28.7208 TIMING: 2543800 CPU: 8113.07, 0.00320093/step Wall: 8113.07, 0.00320093/step, 2.18392 hours remaining, 239.324219 MB of memory in use. ENERGY: 2543800 4012.8298 20671.1412 14472.4299 246.6690 -203201.0147 2548.9476 0.0000 0.0000 52401.9301 -108847.0673 301.1546 -161248.9973 -108487.6885 300.6254 69.3876 99.6228 762201.9809 5.7003 5.7550 PRESSURE: 2544000 -383.521 47.7755 166.138 47.7752 -433.591 79.6773 166.138 79.6769 442.786 GPRESSURE: 2544000 -440.071 32.7867 206.366 31.0106 -314.865 124.75 297.653 76.3874 459.363 PRESSAVG: 2544000 -27.0436 -8.96856 -20.7536 -8.96849 -46.5426 -10.5767 -20.7536 -10.5767 13.0738 GPRESSAVG: 2544000 -28.5496 -6.98908 -22.2007 -11.3507 -45.2296 -12.3495 -20.0184 -10.1291 13.6126 TIMING: 2544000 CPU: 8113.71, 0.00318171/step Wall: 8113.71, 0.00318171/step, 2.17063 hours remaining, 239.324219 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: 2544000 4023.7390 20565.6968 14496.4500 252.9802 -202825.4925 2324.3757 0.0000 0.0000 52273.4184 -108888.8324 300.4161 -161162.2508 -108521.5944 300.4420 -124.7755 -98.5244 763623.9560 -20.1708 -20.0555 PRESSURE: 2544200 -184.036 -226.126 -302.993 -226.127 2.9858 122.793 -302.993 122.794 -10.1439 GPRESSURE: 2544200 -84.4003 -137.412 -308.789 -379.275 57.1518 133.813 -310.016 45.6833 -89.6828 PRESSAVG: 2544200 -30.1661 -26.7534 -0.60004 -26.7534 58.564 1.31485 -0.600035 1.3148 -0.737097 GPRESSAVG: 2544200 -29.3414 -26.9057 1.28115 -26.7243 57.2777 2.10208 -0.818932 0.450345 -0.230995 TIMING: 2544200 CPU: 8114.35, 0.0031736/step Wall: 8114.35, 0.00317359/step, 2.16492 hours remaining, 239.324219 MB of memory in use. ENERGY: 2544200 4035.9627 20464.4352 14482.9215 248.5933 -203144.9359 2650.3492 0.0000 0.0000 52264.6119 -108998.0622 300.3654 -161262.6741 -108630.8982 300.8262 -63.7313 -38.9771 761698.1409 9.2203 9.2351 LDB: ============= START OF LOAD BALANCING ============== 8126.8 LDB: ============== END OF LOAD BALANCING =============== 8126.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8126.8 LDB: ============= START OF LOAD BALANCING ============== 8127.12 LDB: Largest compute 7026 load 0.037502 is 19.2% of average load 0.195234 LDB: Average compute 0.004415 is 2.3% of average load 0.195234 LDB: TIME 8127.12 LOAD: AVG 0.195234 MAX 0.213731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 8127.12 LOAD: AVG 0.195234 MAX 0.213731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 8127.12 LOAD: AVG 0.195234 MAX 0.213731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 8127.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8127.13 PRESSURE: 2544400 -308.991 79.5075 305.218 79.5076 -306.777 96.709 305.218 96.7105 -57.6895 GPRESSURE: 2544400 -304.354 74.5562 237.421 36.4796 -276.209 79.3289 229.245 183.42 -16.5546 PRESSAVG: 2544400 -36.7133 -27.9044 -21.1249 -27.9043 -7.37272 37.6113 -21.1248 37.6113 -11.6319 GPRESSAVG: 2544400 -36.4899 -27.5527 -22.2694 -28.0832 -7.04342 38.2281 -22.5956 35.6154 -12.8346 TIMING: 2544400 CPU: 8114.99, 0.00323048/step Wall: 8114.99, 0.00323048/step, 2.20355 hours remaining, 240.347656 MB of memory in use. ENERGY: 2544400 3961.3995 20723.6275 14502.6082 258.6252 -202990.6207 2432.8646 0.0000 0.0000 51983.0500 -109128.4456 298.7473 -161111.4956 -108756.8226 299.9535 -224.4857 -199.0394 764222.4944 -18.5726 -18.7893 PRESSURE: 2544600 -334.244 -50.9404 165.043 -50.9402 -193.189 -215.241 165.043 -215.241 -221.673 GPRESSURE: 2544600 -202.546 -21.7635 155.508 -73.0922 -214.786 -237.052 263.977 -180.793 -224.264 PRESSAVG: 2544600 45.9743 -38.7603 63.6964 -38.7604 -30.3036 20.3903 63.6964 20.3902 13.3333 GPRESSAVG: 2544600 46.6532 -38.9823 63.2057 -36.8641 -30.7025 22.1625 64.9021 22.2993 13.447 TIMING: 2544600 CPU: 8115.63, 0.00317449/step Wall: 8115.63, 0.00317449/step, 2.16518 hours remaining, 240.550781 MB of memory in use. ENERGY: 2544600 4066.4661 20500.3897 14469.4338 240.1770 -203142.2196 2414.5379 0.0000 0.0000 52324.1710 -109127.0441 300.7077 -161451.2151 -108762.0321 299.8477 -249.7018 -213.8656 760880.0777 9.6680 9.7992 PRESSURE: 2544800 -200.41 -230.364 -125.74 -230.363 -291.638 60.8274 -125.74 60.8267 29.6517 GPRESSURE: 2544800 -168.465 -109.212 -52.1642 -224.017 -224.955 -65.5504 3.24244 83.6098 32.7902 PRESSAVG: 2544800 -49.4912 -57.8457 -5.7839 -57.8457 58.0033 -1.69288 -5.78385 -1.69286 -19.15 GPRESSAVG: 2544800 -49.0306 -58.2452 -3.48343 -56.366 58.6898 -3.06229 -5.27906 -0.832475 -19.645 TIMING: 2544800 CPU: 8116.27, 0.00319348/step Wall: 8116.27, 0.00319348/step, 2.17796 hours remaining, 240.550781 MB of memory in use. ENERGY: 2544800 4075.7367 20579.9860 14539.8847 255.9428 -203121.2741 2371.6150 0.0000 0.0000 52183.9202 -109114.1887 299.9017 -161298.1089 -108757.1567 300.4804 -154.1321 -120.2100 761373.8383 -3.5459 -3.3286 PRESSURE: 2545000 -223.174 -71.4388 -161.485 -71.4392 -89.2051 193.571 -161.484 193.57 88.4973 GPRESSURE: 2545000 -167.53 -36.4392 -208.784 -156.614 -88.7941 184.088 -153.218 22.2473 107.489 PRESSAVG: 2545000 18.6325 -42.1683 12.7863 -42.1683 -5.98947 75.5714 12.7863 75.5715 3.73364 GPRESSAVG: 2545000 18.7194 -42.709 11.5739 -43.2154 -5.97249 75.7824 11.1884 73.3429 2.9921 TIMING: 2545000 CPU: 8116.9, 0.00316444/step Wall: 8116.9, 0.00316444/step, 2.15797 hours remaining, 240.550781 MB of memory in use. ENERGY: 2545000 3978.7600 20504.3998 14507.7436 243.1118 -203192.2503 2362.4816 0.0000 0.0000 52258.2767 -109337.4767 300.3290 -161595.7534 -108974.1736 299.7052 -74.6273 -49.6116 760207.6265 5.4589 5.2463 PRESSURE: 2545200 -71.4248 246.526 -206.391 246.525 -107.159 -78.0599 -206.392 -78.0594 23.2599 GPRESSURE: 2545200 -20.8593 66.3639 -169.159 283.178 -66.9024 -190.099 -110.713 -61.9436 13.2328 PRESSAVG: 2545200 54.1331 -7.63444 -52.1552 -7.63447 -45.7773 8.3933 -52.1552 8.39329 -11.2163 GPRESSAVG: 2545200 53.3154 -6.93548 -53.7051 -9.80753 -45.1676 7.92792 -49.9405 9.09365 -10.5276 TIMING: 2545200 CPU: 8117.53, 0.00316574/step Wall: 8117.53, 0.00316574/step, 2.15869 hours remaining, 240.550781 MB of memory in use. ENERGY: 2545200 4035.6082 20626.0395 14572.3546 263.7859 -203616.5603 2640.0217 0.0000 0.0000 51883.4267 -109595.3238 298.1748 -161478.7504 -109236.8087 299.3024 -51.7747 -24.8430 761270.7441 -0.9535 -0.7933 PRESSURE: 2545400 70.5733 65.342 204.623 65.3412 37.9698 107.442 204.624 107.443 -1.03453 GPRESSURE: 2545400 125.857 149.913 192.919 71.9342 102.079 34.3579 241.017 231.966 -13.4659 PRESSAVG: 2545400 -24.9174 11.2978 44.2325 11.2979 40.319 40.6828 44.2325 40.6828 -15.8532 GPRESSAVG: 2545400 -23.5927 11.4208 46.6398 13.0027 39.6151 42.8232 42.2337 40.5723 -16.8668 TIMING: 2545400 CPU: 8118.17, 0.00317317/step Wall: 8118.17, 0.00317317/step, 2.16357 hours remaining, 240.550781 MB of memory in use. ENERGY: 2545400 4092.7943 20546.5000 14506.9368 277.1733 -203446.7319 2505.5068 0.0000 0.0000 51928.3060 -109589.5147 298.4327 -161517.8207 -109229.1458 299.2200 35.8362 71.4902 761925.6829 -0.1505 -0.2815 PRESSURE: 2545600 -40.3383 -20.3055 3.00276 -20.305 -191.675 5.06993 3.00227 5.07137 -150.401 GPRESSURE: 2545600 -103.423 -94.4102 -37.6386 -12.2244 -147.828 -35.4242 113.581 170.706 -65.6044 PRESSAVG: 2545600 -29.4796 -31.9805 12.1031 -31.9804 41.0929 5.91538 12.1031 5.91548 -13.9319 GPRESSAVG: 2545600 -31.6008 -33.229 11.7154 -31.1378 41.7338 6.36235 13.4237 4.99897 -12.244 TIMING: 2545600 CPU: 8118.8, 0.00316858/step Wall: 8118.8, 0.00316858/step, 2.16027 hours remaining, 240.550781 MB of memory in use. ENERGY: 2545600 3982.7284 20687.9908 14413.4724 244.1318 -203535.7076 2527.4456 0.0000 0.0000 52189.0570 -109490.8818 299.9312 -161679.9387 -109134.3982 299.0767 -127.4716 -105.6185 760659.5860 -0.7729 -0.7037 PRESSURE: 2545800 -35.1916 60.2007 -107.449 60.2011 -178.369 73.6336 -107.45 73.6323 -31.2634 GPRESSURE: 2545800 -10.7842 65.8258 -124.135 -27.1074 -163.043 -0.423867 -65.2045 125.684 5.17915 PRESSAVG: 2545800 15.0628 -53.4394 -6.26835 -53.4394 12.8907 8.52696 -6.26838 8.52697 4.85354 GPRESSAVG: 2545800 16.4697 -51.7991 -7.10731 -55.0263 12.6473 6.71691 -7.27641 10.154 4.00167 TIMING: 2545800 CPU: 8119.43, 0.00315771/step Wall: 8119.43, 0.00315771/step, 2.15268 hours remaining, 240.550781 MB of memory in use. ENERGY: 2545800 4030.3387 20707.1417 14530.8064 235.2548 -203420.6088 2435.3673 0.0000 0.0000 52025.5323 -109456.1675 298.9914 -161481.6998 -109096.3177 299.5854 -81.6081 -56.2159 762372.4486 10.9357 11.0396 PRESSURE: 2546000 41.1443 3.17961 -111.589 3.18012 -95.408 14.6346 -111.589 14.6344 308.614 GPRESSURE: 2546000 97.3137 53.479 -35.7168 121.257 -44.1116 40.2864 -141.312 -90.1766 303.402 PRESSAVG: 2546000 -68.8724 -28.5603 30.8189 -28.5603 46.1182 -5.56909 30.8189 -5.56916 14.3422 GPRESSAVG: 2546000 -69.7076 -27.1072 34.1873 -27.9921 45.8084 -5.93553 30.1907 -5.14679 15.4079 TIMING: 2546000 CPU: 8120.06, 0.00313938/step Wall: 8120.06, 0.00313938/step, 2.14001 hours remaining, 240.550781 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: 2546000 3995.4193 20740.1873 14477.6824 225.9031 -203859.0831 3025.3555 0.0000 0.0000 52029.0136 -109365.5220 299.0115 -161394.5355 -109002.4927 299.5551 84.7834 118.8681 762520.6598 -2.8040 -2.8304 PRESSURE: 2546200 -184.115 192.207 110.799 192.207 -119.396 18.6758 110.8 18.6753 143.676 GPRESSURE: 2546200 -108.892 182.197 102.319 205.222 -56.2989 53.9084 132.499 42.1387 95.6339 PRESSAVG: 2546200 -5.81636 -12.9025 4.77163 -12.9025 -3.25864 1.90664 4.77165 1.90654 14.4715 GPRESSAVG: 2546200 -5.85562 -15.3392 0.705356 -12.0996 -3.29856 1.73881 6.07192 0.866031 14.6578 TIMING: 2546200 CPU: 8120.68, 0.00312828/step Wall: 8120.68, 0.00312828/step, 2.13227 hours remaining, 240.550781 MB of memory in use. ENERGY: 2546200 4005.2876 20600.1813 14494.3621 261.9573 -203301.6495 2481.6005 0.0000 0.0000 52170.2166 -109288.0441 299.8230 -161458.2607 -108926.3884 299.6274 -53.2784 -23.1856 760009.6845 1.7988 1.8345 PRESSURE: 2546400 -258.389 -94.4409 41.5744 -94.4418 -64.1913 9.75325 41.5745 9.75326 189.702 GPRESSURE: 2546400 -145.15 -41.1235 48.8423 -139.368 -96.2968 32.4624 32.2692 31.4823 166.88 PRESSAVG: 2546400 6.04367 -63.1322 10.5149 -63.1321 -10.3574 9.34002 10.5148 9.34001 -0.614234 GPRESSAVG: 2546400 6.77971 -61.8941 13.1286 -64.1931 -10.0436 8.54908 8.59562 9.80426 -1.37242 TIMING: 2546400 CPU: 8121.32, 0.00316684/step Wall: 8121.32, 0.00316684/step, 2.15838 hours remaining, 240.550781 MB of memory in use. ENERGY: 2546400 4020.8617 20548.1762 14497.3750 236.6751 -203141.6230 2345.2689 0.0000 0.0000 52081.8695 -109411.3966 299.3152 -161493.2661 -109054.3475 299.5872 -44.2931 -24.8558 762327.3667 -1.6427 -1.5454 PRESSURE: 2546600 -147.125 -76.2393 -95.2147 -76.2389 68.412 -192.774 -95.2151 -192.774 140.857 GPRESSURE: 2546600 -79.6473 -54.0325 -91.2445 -6.65989 60.9705 -193.55 -28.9525 -211.763 146.681 PRESSAVG: 2546600 -25.7972 -61.7723 -8.67943 -61.7723 -14.5328 38.3824 -8.67943 38.3825 -10.73 GPRESSAVG: 2546600 -26.9204 -62.9849 -10.6994 -61.0057 -14.1746 39.6863 -7.69481 38.0549 -9.59968 TIMING: 2546600 CPU: 8121.95, 0.00314031/step Wall: 8121.95, 0.00314031/step, 2.14012 hours remaining, 240.550781 MB of memory in use. ENERGY: 2546600 4031.4208 20779.2828 14513.7468 246.8225 -203752.3924 2758.2566 0.0000 0.0000 52021.1291 -109401.7338 298.9661 -161422.8629 -109037.9941 299.3120 20.7148 42.6682 762054.2791 -17.0200 -16.8982 PRESSURE: 2546800 146.029 -434.781 117.769 -434.781 164.75 153.837 117.769 153.837 66.1261 GPRESSURE: 2546800 129.405 -452.165 30.4676 -294.446 208.151 114.334 107.899 202.473 123.354 PRESSAVG: 2546800 43.9182 -39.2379 29.5161 -39.2378 -50.7179 30.4831 29.516 30.4831 16.7303 GPRESSAVG: 2546800 45.9323 -39.2835 28.9011 -39.95 -50.64 29.8618 31.5475 32.1176 15.3832 TIMING: 2546800 CPU: 8122.57, 0.00311607/step Wall: 8122.57, 0.00311607/step, 2.12343 hours remaining, 240.550781 MB of memory in use. ENERGY: 2546800 4072.8405 20519.3308 14521.3975 241.3980 -203295.6023 2591.2679 0.0000 0.0000 51950.3864 -109398.9812 298.5596 -161349.3676 -109036.2799 299.5362 125.6351 153.6367 761807.5568 3.3102 3.5585 PRESSURE: 2547000 -162.043 86.9548 -111.011 86.9549 -311.863 113.186 -111.012 113.186 -127.393 GPRESSURE: 2547000 -163.372 105.956 -110.509 65.1314 -208.688 91.4591 -181.254 108.671 -156.846 PRESSAVG: 2547000 -25.542 -99.1125 2.04032 -99.1124 9.75658 22.2497 2.04036 22.2498 -13.626 GPRESSAVG: 2547000 -27.7863 -99.2128 3.12498 -99.5501 9.62555 22.7701 -1.24504 19.5799 -11.4265 TIMING: 2547000 CPU: 8123.2, 0.00314447/step Wall: 8123.2, 0.00314447/step, 2.14261 hours remaining, 240.550781 MB of memory in use. ENERGY: 2547000 4014.0122 20679.8113 14463.4221 247.5657 -203424.6470 2488.9193 0.0000 0.0000 51942.9698 -109587.9467 298.5170 -161530.9165 -109224.3980 299.2775 -200.4332 -176.3020 761166.8979 -9.8038 -9.8624 PRESSURE: 2547200 -387.102 19.4725 2.64123 19.4721 78.3828 -148.395 2.64176 -148.395 -191.944 GPRESSURE: 2547200 -215.049 3.85047 -40.6367 -30.2903 -42.4699 -180.943 94.4207 -24.0903 -156.981 PRESSAVG: 2547200 18.3574 -79.1322 -30.4952 -79.1321 -30.9854 61.9037 -30.4952 61.9037 4.95351 GPRESSAVG: 2547200 19.2366 -79.3263 -30.6506 -76.5481 -30.7415 62.3346 -28.888 61.2011 3.88081 TIMING: 2547200 CPU: 8123.83, 0.00316778/step Wall: 8123.83, 0.00316778/step, 2.15831 hours remaining, 240.550781 MB of memory in use. ENERGY: 2547200 3999.3886 20607.7012 14409.0421 229.1619 -203351.1317 2516.3178 0.0000 0.0000 52146.8857 -109442.6345 299.6889 -161589.5202 -109086.3481 299.4886 -166.8877 -138.1666 760702.0115 -2.5582 -2.5414 PRESSURE: 2547400 -313.849 -275.864 -147.46 -275.864 -135.262 219.56 -147.46 219.56 -21.4164 GPRESSURE: 2547400 -224.755 -205.067 -70.5936 -373.252 -127.899 215.344 -135.192 161.256 -37.0559 PRESSAVG: 2547400 13.6391 -46.5213 -26.0158 -46.5212 -52.9447 54.1134 -26.0158 54.1135 -14.0766 GPRESSAVG: 2547400 12.4888 -46.4618 -26.1633 -50.1191 -52.3109 52.6997 -25.2818 55.496 -13.653 TIMING: 2547400 CPU: 8124.47, 0.00317521/step Wall: 8124.47, 0.00317521/step, 2.1632 hours remaining, 240.550781 MB of memory in use. ENERGY: 2547400 3960.6468 20577.8727 14445.5391 263.3980 -203393.0666 2448.2379 0.0000 0.0000 52204.6003 -109492.7718 300.0206 -161697.3721 -109121.5899 299.2530 -156.8425 -129.9034 759548.4793 -17.7941 -17.8251 PRESSURE: 2547600 208.1 24.6911 -44.0017 24.6909 -185.317 -114.262 -44.0013 -114.263 -249.198 GPRESSURE: 2547600 217.088 -82.7249 26.207 30.2046 -155.429 -72.5032 -85.1169 -39.5998 -223.263 PRESSAVG: 2547600 -19.3435 -36.0134 7.4751 -36.0133 -24.0652 54.4432 7.47516 54.4432 22.7182 GPRESSAVG: 2547600 -17.9594 -35.4407 8.62597 -37.0943 -24.3824 55.9379 5.7966 53.9777 21.9463 TIMING: 2547600 CPU: 8125.1, 0.00316838/step Wall: 8125.1, 0.00316838/step, 2.15837 hours remaining, 240.550781 MB of memory in use. ENERGY: 2547600 4031.9290 20597.5591 14484.2555 259.1581 -203721.7667 2736.1920 0.0000 0.0000 52051.3195 -109561.3535 299.1396 -161612.6731 -109188.7433 299.3054 -75.4715 -53.8682 760042.3056 -6.8968 -6.7985 PRESSURE: 2547800 78.8173 -71.6494 113.902 -71.6493 -204.186 70.0879 113.903 70.0879 -179.542 GPRESSURE: 2547800 22.7717 -133.544 -29.5521 -228.899 -74.1873 53.4929 147.171 67.6367 -174.867 PRESSAVG: 2547800 8.986 -39.632 1.40859 -39.6321 -23.7887 43.5103 1.40857 43.5104 -10.8372 GPRESSAVG: 2547800 8.38095 -41.3125 2.04935 -36.7521 -24.1842 42.8633 3.56175 45.7361 -9.89288 TIMING: 2547800 CPU: 8125.73, 0.00315162/step Wall: 8125.73, 0.00315162/step, 2.14678 hours remaining, 240.550781 MB of memory in use. ENERGY: 2547800 4012.3990 20464.0656 14456.7444 244.5625 -203444.8155 2506.2029 0.0000 0.0000 52095.2735 -109665.5676 299.3923 -161760.8411 -109296.7119 299.1209 -101.6367 -75.4276 760775.3263 -8.5466 -8.5654 PRESSURE: 2548000 -27.2935 -61.0699 263.251 -61.0708 -215.569 -4.29178 263.25 -4.292 -294.705 GPRESSURE: 2548000 29.3145 14.0493 263.302 59.4526 -210.716 -37.9768 215.03 20.1526 -284.787 PRESSAVG: 2548000 15.4287 -29.209 18.2976 -29.209 -18.436 76.5486 18.2976 76.5487 9.22205 GPRESSAVG: 2548000 16.5327 -27.3468 18.9921 -30.7011 -19.3825 77.1068 16.9408 75.0273 9.1552 TIMING: 2548000 CPU: 8126.36, 0.00315223/step Wall: 8126.36, 0.00315223/step, 2.14702 hours remaining, 240.550781 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: 2548000 3969.0260 20433.5769 14485.8661 258.6012 -203018.6062 2158.2582 0.0000 0.0000 52024.6060 -109688.6717 298.9861 -161713.2777 -109317.9265 298.5301 -179.1891 -155.3962 760295.0698 2.0716 2.1018 PRESSURE: 2548200 107.476 -236.557 -210.532 -236.557 -93.6065 44.7922 -210.531 44.7918 -256.155 GPRESSURE: 2548200 123.556 -307.352 -165.21 -122.73 -29.602 -46.8258 -328.546 116.819 -262.893 PRESSAVG: 2548200 56.5848 -68.7994 34.8128 -68.7995 -7.09866 49.7073 34.8128 49.7073 0.624751 GPRESSAVG: 2548200 56.7579 -68.7747 32.4197 -67.2077 -6.58288 49.6373 34.5819 49.1596 -0.393397 TIMING: 2548200 CPU: 8126.99, 0.00315197/step Wall: 8126.99, 0.00315197/step, 2.14667 hours remaining, 240.550781 MB of memory in use. ENERGY: 2548200 4059.6582 20474.2910 14553.5276 256.1685 -203644.7641 2538.7053 0.0000 0.0000 52044.8711 -109717.5424 299.1026 -161762.4134 -109344.6880 298.9464 -80.7618 -56.3128 759683.7857 16.7036 16.5939 LDB: ============= START OF LOAD BALANCING ============== 8139.44 LDB: ============== END OF LOAD BALANCING =============== 8139.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.44 LDB: ============= START OF LOAD BALANCING ============== 8139.76 LDB: Largest compute 7058 load 0.034549 is 17.7% of average load 0.195341 LDB: Average compute 0.004417 is 2.3% of average load 0.195341 LDB: TIME 8139.76 LOAD: AVG 0.195341 MAX 0.212207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.43 MB LDB: TIME 8139.76 LOAD: AVG 0.195341 MAX 0.212207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.594 MB LDB: TIME 8139.76 LOAD: AVG 0.195341 MAX 0.212207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.594 MB LDB: ============== END OF LOAD BALANCING =============== 8139.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.77 PRESSURE: 2548400 -61.717 -105.041 -164.355 -105.041 -79.1863 -152.377 -164.356 -152.378 -196.219 GPRESSURE: 2548400 -49.8466 -197.682 -83.2213 -129.926 -89.3107 -60.6222 -165.116 -232.91 -128.68 PRESSAVG: 2548400 19.9832 -45.1597 -29.1359 -45.1596 -5.10092 48.9282 -29.1358 48.9282 9.11125 GPRESSAVG: 2548400 19.1689 -45.4116 -28.7977 -45.323 -4.71967 49.1339 -28.0549 50.0225 9.89444 TIMING: 2548400 CPU: 8127.64, 0.00322271/step Wall: 8127.64, 0.00322271/step, 2.19467 hours remaining, 240.667969 MB of memory in use. ENERGY: 2548400 3972.3647 20510.1872 14445.8804 243.8896 -203102.0751 2267.2950 0.0000 0.0000 52054.3253 -109608.1328 299.1569 -161662.4581 -109248.4280 298.9047 -112.3739 -89.2790 759709.4663 7.9979 8.1145 PRESSURE: 2548600 24.0022 37.7769 5.89747 37.7769 101.545 106.489 5.89751 106.488 168.991 GPRESSURE: 2548600 88.1686 -110.029 -58.8349 144.942 138.72 115.57 173.466 11.6139 151.44 PRESSAVG: 2548600 -71.5499 -28.7565 -8.48524 -28.7566 24.8643 -23.7014 -8.48526 -23.7014 1.4501 GPRESSAVG: 2548600 -71.3481 -29.0643 -6.89298 -27.6839 24.5317 -23.4992 -8.69688 -24.8127 1.46768 TIMING: 2548600 CPU: 8128.27, 0.00314573/step Wall: 8128.27, 0.00314573/step, 2.14207 hours remaining, 240.667969 MB of memory in use. ENERGY: 2548600 4015.5433 20504.3004 14478.9077 238.3919 -203043.9343 2422.6970 0.0000 0.0000 51835.1953 -109548.8987 297.8976 -161384.0940 -109188.4274 298.8570 98.1793 126.1094 762144.6845 -15.0785 -15.1163 PRESSURE: 2548800 97.0257 -82.1568 272.025 -82.1566 36.1615 -66.2983 272.025 -66.2983 278.13 GPRESSURE: 2548800 121.042 85.6635 278.498 -124.937 43.707 -112.718 186.391 -105.332 324.642 PRESSAVG: 2548800 11.0469 -16.9259 -2.68489 -16.9258 -4.62128 -46.298 -2.68489 -46.2981 12.599 GPRESSAVG: 2548800 11.373 -17.6276 -3.13546 -17.9224 -4.54407 -47.4017 -3.05248 -45.9642 12.5902 TIMING: 2548800 CPU: 8128.9, 0.00316921/step Wall: 8128.9, 0.00316921/step, 2.15788 hours remaining, 240.667969 MB of memory in use. ENERGY: 2548800 3928.7526 20732.8092 14519.4200 262.6289 -203595.3911 2735.7454 0.0000 0.0000 52162.2804 -109253.7547 299.7773 -161416.0351 -108896.8909 299.1143 137.1058 163.1302 761570.1265 6.3415 6.4730 PRESSURE: 2549000 -64.762 -12.8373 -23.0343 -12.8375 -188.731 10.221 -23.0333 10.2202 -105.377 GPRESSURE: 2549000 -121.503 10.9334 -84.1533 58.8469 -32.9041 -54.7725 -23.6845 88.4459 -116.236 PRESSAVG: 2549000 3.62022 -15.7841 -51.1742 -15.7841 -11.2324 1.16894 -51.1741 1.16887 24.8116 GPRESSAVG: 2549000 3.44467 -15.1735 -52.3858 -16.8016 -10.4993 0.583836 -50.2989 -0.938457 23.9786 TIMING: 2549000 CPU: 8129.54, 0.00318054/step Wall: 8129.54, 0.00318054/step, 2.16542 hours remaining, 240.667969 MB of memory in use. ENERGY: 2549000 3977.9575 20598.6080 14526.5017 235.4988 -203276.2229 2442.8385 0.0000 0.0000 52221.3552 -109273.4633 300.1168 -161494.8185 -108905.2961 299.6639 -119.6233 -90.2144 761943.5978 5.7332 5.6413 PRESSURE: 2549200 -152.438 -105.652 194.434 -105.652 -52.1665 -119.676 194.433 -119.676 -371.565 GPRESSURE: 2549200 -94.1809 -116.755 202.572 -103.362 -96.7529 -66.5995 245.511 41.6265 -297.142 PRESSAVG: 2549200 -1.47548 -19.9875 0.641284 -19.9876 -22.142 62.5849 0.641279 62.5849 28.1703 GPRESSAVG: 2549200 -2.00444 -21.9908 0.291647 -19.6096 -22.1794 63.9719 -1.9047 63.6413 29.4019 TIMING: 2549200 CPU: 8130.17, 0.00315506/step Wall: 8130.17, 0.00315506/step, 2.14789 hours remaining, 240.667969 MB of memory in use. ENERGY: 2549200 4101.2935 20437.5765 14565.0516 250.4286 -203561.6447 2634.4492 0.0000 0.0000 52130.7589 -109442.0865 299.5962 -161572.8453 -109076.5344 299.6149 -192.0567 -162.6920 760997.9585 1.5176 1.7394 PRESSURE: 2549400 -211.784 -12.3922 76.1086 -12.392 -403.465 67.4358 76.1081 67.4357 -146.3 GPRESSURE: 2549400 -141.692 -50.7498 157.914 -2.67637 -352.82 57.8723 -54.8254 134.142 -190.28 PRESSAVG: 2549400 22.184 -87.3819 12.7577 -87.3819 3.17644 13.461 12.7577 13.461 -6.4519 GPRESSAVG: 2549400 23.2411 -84.0753 15.0913 -86.7158 2.96527 12.4404 14.5777 16.2719 -7.09594 TIMING: 2549400 CPU: 8130.8, 0.00316811/step Wall: 8130.8, 0.00316811/step, 2.1566 hours remaining, 240.667969 MB of memory in use. ENERGY: 2549400 3960.6435 20629.6258 14549.2058 247.0893 -203876.7551 2947.2531 0.0000 0.0000 52325.4349 -109217.5029 300.7150 -161542.9377 -108853.7665 300.0654 -253.8497 -228.2638 761246.2894 6.3028 6.3701 PRESSURE: 2549600 -81.4669 93.6913 59.3972 93.6904 24.6961 36.5184 59.3966 36.5181 213.214 GPRESSURE: 2549600 -67.9307 -68.3335 120.023 150.808 146.536 41.8521 97.4443 -151.936 158.156 PRESSAVG: 2549600 -15.3686 -59.5002 -7.11544 -59.5002 37.5508 -8.97535 -7.11544 -8.97538 -9.23962 GPRESSAVG: 2549600 -15.6607 -59.5608 -9.19353 -61.0304 38.6697 -9.31909 -6.37479 -8.99715 -9.84009 TIMING: 2549600 CPU: 8131.43, 0.00316838/step Wall: 8131.43, 0.00316838/step, 2.15661 hours remaining, 240.667969 MB of memory in use. ENERGY: 2549600 4011.3403 20499.7065 14584.3759 252.7258 -202787.3961 2236.6809 0.0000 0.0000 52151.8599 -109050.7068 299.7175 -161202.5668 -108688.4518 299.7560 52.1476 78.9205 763154.5356 4.3142 4.3896 PRESSURE: 2549800 -158.622 -76.8395 137.434 -76.8395 -351.313 -119.226 137.434 -119.226 -114.019 GPRESSURE: 2549800 -129.836 -155.529 133.374 -139.842 -248.528 -36.664 225.94 -54.2821 -148.731 PRESSAVG: 2549800 42.0372 -96.5033 -14.2325 -96.5033 -40.7556 11.6222 -14.2324 11.6223 -2.29294 GPRESSAVG: 2549800 40.8396 -96.9736 -13.7988 -94.8567 -40.7881 12.5522 -14.8206 9.09767 -1.15134 TIMING: 2549800 CPU: 8132.07, 0.00317242/step Wall: 8132.07, 0.00317242/step, 2.15918 hours remaining, 240.667969 MB of memory in use. ENERGY: 2549800 4008.7528 20640.7575 14549.0865 255.2346 -202913.0077 2268.5834 0.0000 0.0000 52159.6389 -109030.9541 299.7622 -161190.5930 -108661.5281 299.6435 -207.9848 -175.6985 762391.5265 -0.3371 -0.3666 PRESSURE: 2550000 -64.436 -23.2622 178.91 -23.2623 185.687 37.9649 178.911 37.964 24.485 GPRESSURE: 2550000 -18.3001 31.0124 188.164 -49.1662 203.628 58.0731 220.252 -96.7093 48.3356 PRESSAVG: 2550000 21.9152 -46.3032 61.5428 -46.3032 -62.7482 -15.3565 61.5428 -15.3565 7.98151 GPRESSAVG: 2550000 22.0851 -47.7089 61.7648 -47.5039 -62.5965 -13.9343 60.6574 -13.9932 7.53281 TIMING: 2550000 CPU: 8132.7, 0.00316334/step Wall: 8132.7, 0.00316334/step, 2.15283 hours remaining, 240.667969 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: 2550000 4010.3422 20352.0664 14591.4181 255.9851 -202996.9216 2705.7231 0.0000 0.0000 52079.1850 -109002.2017 299.2998 -161081.3867 -108634.1116 299.6789 48.5787 77.8880 762836.5737 -10.9505 -10.9929 PRESSURE: 2550200 33.1295 22.6957 -45.9424 22.6953 -98.2661 154.973 -45.9429 154.973 -397.978 GPRESSURE: 2550200 -63.5143 -1.97808 -86.2062 95.9474 -23.8794 119.644 -1.19535 146.726 -318.524 PRESSAVG: 2550200 -16.0439 -3.10787 84.8514 -3.10781 2.55396 -10.0072 84.8515 -10.0071 -7.36782 GPRESSAVG: 2550200 -16.0186 -3.32074 87.2227 -1.58859 1.50718 -11.4693 83.2095 -11.0524 -6.1489 TIMING: 2550200 CPU: 8133.33, 0.00315835/step Wall: 8133.33, 0.00315835/step, 2.14926 hours remaining, 240.667969 MB of memory in use. ENERGY: 2550200 4007.6432 20586.4169 14501.0861 268.5817 -202901.7991 2487.6687 0.0000 0.0000 51990.1601 -109060.2423 298.7882 -161050.4024 -108705.9919 300.0109 -154.3715 -135.3059 763889.9114 -6.9526 -6.8868 PRESSURE: 2550400 -63.5434 -29.2227 94.8312 -29.2222 46.1817 -119.002 94.8311 -119.002 -387.789 GPRESSURE: 2550400 3.7928 6.78755 125.474 83.3233 -2.18304 -105.639 42.0986 -87.0582 -332.301 PRESSAVG: 2550400 80.6174 14.4198 23.5046 14.4197 -19.3167 -43.7547 23.5045 -43.7547 -12.7826 GPRESSAVG: 2550400 80.9551 15.6129 20.1197 12.4356 -19.5318 -44.5752 26.3181 -45.3378 -12.9736 TIMING: 2550400 CPU: 8133.97, 0.00316889/step Wall: 8133.97, 0.00316889/step, 2.15626 hours remaining, 240.667969 MB of memory in use. ENERGY: 2550400 4081.9432 20495.8414 14589.0193 254.1079 -203223.1185 2570.8322 0.0000 0.0000 52048.8735 -109182.5009 299.1256 -161231.3744 -108830.5464 299.7210 -135.0504 -110.2303 762790.0670 16.1727 16.1499 PRESSURE: 2550600 -212.275 19.0892 215.473 19.0898 -301.548 112.03 215.473 112.03 -179.003 GPRESSURE: 2550600 -197.692 8.68593 169.117 66.9149 -289.469 84.1969 153.002 40.9406 -129.752 PRESSAVG: 2550600 40.2718 -17.8725 -83.6179 -17.8726 -27.2551 12.9113 -83.6179 12.9114 20.3869 GPRESSAVG: 2550600 39.3284 -18.4972 -82.7868 -16.447 -26.9798 14.8622 -84.1739 12.8679 20.6482 TIMING: 2550600 CPU: 8134.6, 0.00316748/step Wall: 8134.6, 0.00316748/step, 2.15512 hours remaining, 240.667969 MB of memory in use. ENERGY: 2550600 4030.5292 20413.3177 14580.8360 253.3457 -202778.7727 2124.1914 0.0000 0.0000 52061.5771 -109314.9757 299.1986 -161376.5528 -108949.9982 299.4519 -230.9419 -205.6377 762947.9256 11.1345 10.9989 PRESSURE: 2550800 -381.52 -190.649 -20.2073 -190.65 -166.543 -289.208 -20.2088 -289.209 -212.189 GPRESSURE: 2550800 -412.373 -41.8347 -52.4666 -57.6109 -114.208 -399.045 -115.983 -170.299 -141.156 PRESSAVG: 2550800 -32.2714 45.9355 4.80177 45.9355 59.896 -30.9916 4.80183 -30.9915 -1.94523 GPRESSAVG: 2550800 -32.0909 47.8422 5.38552 43.2966 59.9755 -31.7853 5.06552 -30.0212 -2.05173 TIMING: 2550800 CPU: 8135.23, 0.00316663/step Wall: 8135.23, 0.00316663/step, 2.15436 hours remaining, 240.667969 MB of memory in use. ENERGY: 2550800 4015.9328 20497.6816 14547.4089 250.0737 -203327.5591 2621.5273 0.0000 0.0000 52134.9228 -109260.0120 299.6201 -161394.9348 -108910.6913 299.6399 -253.4174 -222.5788 762073.2777 8.5598 8.6110 PRESSURE: 2551000 163.308 14.0204 1.51631 14.0205 -1.15448 130.774 1.51654 130.773 255.362 GPRESSURE: 2551000 194.718 12.8535 -38.3457 -45.3431 53.2477 133.608 -95.0533 198.687 247.289 PRESSAVG: 2551000 60.0188 -14.1299 2.98375 -14.1299 -24.4152 -28.0068 2.98376 -28.0068 10.3887 GPRESSAVG: 2551000 61.6743 -17.1064 3.154 -13.1167 -23.7657 -26.5654 2.20875 -28.0706 8.37175 TIMING: 2551000 CPU: 8135.87, 0.00316392/step Wall: 8135.87, 0.00316392/step, 2.15235 hours remaining, 240.667969 MB of memory in use. ENERGY: 2551000 3944.3634 20465.2762 14473.4482 234.4798 -202799.5481 2583.0281 0.0000 0.0000 51880.6751 -109218.2773 298.1590 -161098.9524 -108866.9868 299.7542 139.1718 165.0848 763146.1564 15.3308 15.4268 PRESSURE: 2551200 -384.523 86.591 -81.5504 86.5917 -336.153 -9.63175 -81.55 -9.63097 170.42 GPRESSURE: 2551200 -312.101 -53.7234 -73.6109 53.5678 -273.555 13.1694 -22.7726 -47.2692 114.814 PRESSAVG: 2551200 57.3626 -77.1294 17.1096 -77.1293 -4.34605 29.6353 17.1095 29.6354 21.0624 GPRESSAVG: 2551200 55.9242 -76.9105 16.9718 -74.164 -3.7991 29.1206 18.8336 31.0356 22.8495 TIMING: 2551200 CPU: 8136.49, 0.00314664/step Wall: 8136.49, 0.00314664/step, 2.14042 hours remaining, 240.667969 MB of memory in use. ENERGY: 2551200 3972.4808 20468.8146 14547.1910 249.6250 -202547.3679 2225.5139 0.0000 0.0000 51990.9766 -109092.7660 298.7929 -161083.7426 -108725.9486 299.2503 -183.4188 -156.9473 763108.3771 24.6930 24.9915 PRESSURE: 2551400 -511.659 -287.31 -14.141 -287.309 -441.016 31.4933 -14.1406 31.4918 -495.37 GPRESSURE: 2551400 -394.776 -325.867 -28.0186 -363.475 -405.049 -25.0801 -11.7222 -9.54334 -551.045 PRESSAVG: 2551400 37.0271 -28.4307 8.28544 -28.4308 -36.2018 -24.6011 8.28549 -24.601 3.02789 GPRESSAVG: 2551400 38.4231 -25.9516 8.77333 -30.9559 -37.6184 -25.7681 8.20941 -26.896 2.21656 TIMING: 2551400 CPU: 8137.13, 0.00315203/step Wall: 8137.13, 0.00315202/step, 2.1439 hours remaining, 240.667969 MB of memory in use. ENERGY: 2551400 4064.4699 20475.5300 14607.7655 231.8745 -202753.7977 2005.3276 0.0000 0.0000 52201.3022 -109167.5279 300.0016 -161368.8301 -108805.2054 299.8838 -482.6816 -450.2898 763328.3665 1.2844 1.0071 PRESSURE: 2551600 -135.409 206.848 341.344 206.849 -11.7492 14.1534 341.344 14.1543 293.838 GPRESSURE: 2551600 -44.4642 234.229 342.033 275.251 7.78637 42.6253 223.955 58.204 254.112 PRESSAVG: 2551600 0.0687223 -69.7393 -42.9371 -69.7394 7.76185 -20.3967 -42.9371 -20.3967 -24.996 GPRESSAVG: 2551600 -1.51493 -71.6788 -43.0127 -68.9726 8.78593 -19.7214 -43.1237 -18.563 -24.5798 TIMING: 2551600 CPU: 8137.76, 0.00316785/step Wall: 8137.76, 0.00316785/step, 2.15449 hours remaining, 240.667969 MB of memory in use. ENERGY: 2551600 3975.6189 20641.7956 14506.5061 246.2458 -203083.6787 2400.4772 0.0000 0.0000 52240.4566 -109072.5784 300.2266 -161313.0350 -108714.2154 300.0806 48.8933 72.4780 761252.2602 -5.7218 -5.7696 PRESSURE: 2551800 183.644 32.6013 -228.464 32.6004 82.8926 43.9476 -228.466 43.9472 -33.1151 GPRESSURE: 2551800 190.554 112.156 -297.305 69.7581 102.581 93.4772 -159.812 -8.32017 21.7136 PRESSAVG: 2551800 53.9746 -38.6532 -48.8765 -38.6532 -43.273 10.5344 -48.8765 10.5345 -13.4471 GPRESSAVG: 2551800 54.6989 -38.6484 -46.9113 -38.0836 -44.9809 9.82131 -50.8652 9.92636 -12.6923 TIMING: 2551800 CPU: 8138.39, 0.00316557/step Wall: 8138.39, 0.00316557/step, 2.15277 hours remaining, 240.667969 MB of memory in use. ENERGY: 2551800 4015.7616 20322.4186 14542.3030 244.5142 -203362.2561 2710.2118 0.0000 0.0000 52302.9826 -109224.0644 300.5860 -161527.0469 -108856.0414 299.7781 77.8072 104.9497 760248.2916 -0.9152 -0.9914 PRESSURE: 2552000 -271.646 -312.601 -174.584 -312.602 -38.6679 17.3463 -174.583 17.3467 -148.542 GPRESSURE: 2552000 -243.589 -295.07 -58.2864 -269.21 -51.9476 -88.0653 -141.515 -40.4548 -73.8244 PRESSAVG: 2552000 47.9517 -73.1605 -37.8407 -73.1605 -64.7046 -18.9725 -37.8406 -18.9725 19.055 GPRESSAVG: 2552000 47.4066 -73.5073 -37.9052 -73.3062 -62.2449 -19.527 -37.1956 -18.6491 17.4812 TIMING: 2552000 CPU: 8139.02, 0.00315586/step Wall: 8139.02, 0.00315587/step, 2.14599 hours remaining, 240.667969 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: 2552000 3979.4407 20624.2159 14582.1035 263.6320 -203136.6019 2559.8303 0.0000 0.0000 51890.7697 -109236.6097 298.2170 -161127.3794 -108864.9346 299.8078 -152.9521 -123.1203 760463.5557 0.7674 0.8810 PRESSURE: 2552200 -269.305 -170.443 162.178 -170.443 86.9691 185.068 162.178 185.069 324.188 GPRESSURE: 2552200 -161.51 -136.375 148.732 -212.469 98.2561 199.151 114.487 200.447 298.639 PRESSAVG: 2552200 -17.2336 -76.6761 18.5101 -76.6761 44.4032 -32.3493 18.5101 -32.3494 16.286 GPRESSAVG: 2552200 -16.9476 -76.5189 16.9159 -77.0251 44.1064 -30.705 18.5022 -33.5748 16.672 TIMING: 2552200 CPU: 8139.65, 0.00314905/step Wall: 8139.65, 0.00314905/step, 2.14118 hours remaining, 240.667969 MB of memory in use. ENERGY: 2552200 3874.2815 20491.1185 14528.2718 267.0351 -203315.5210 2793.7417 0.0000 0.0000 52063.6335 -109297.4389 299.2104 -161361.0723 -108935.7245 299.6119 47.2840 78.4617 761835.7889 14.4852 14.6103 LDB: ============= START OF LOAD BALANCING ============== 8152.1 LDB: ============== END OF LOAD BALANCING =============== 8152.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8152.11 LDB: ============= START OF LOAD BALANCING ============== 8152.42 LDB: Largest compute 7049 load 0.032611 is 16.7% of average load 0.195384 LDB: Average compute 0.004387 is 2.2% of average load 0.195384 LDB: TIME 8152.42 LOAD: AVG 0.195384 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 8152.42 LOAD: AVG 0.195384 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: TIME 8152.42 LOAD: AVG 0.195384 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: ============== END OF LOAD BALANCING =============== 8152.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8152.43 PRESSURE: 2552400 305.976 35.4525 105.576 35.4519 -189.738 176.507 105.576 176.506 -15.9854 GPRESSURE: 2552400 235.456 88.0859 0.199393 58.4607 -109.567 126.077 60.8978 282.501 77.7723 PRESSAVG: 2552400 6.53099 -40.8321 -45.8337 -40.832 -41.0281 52.1145 -45.8337 52.1144 -7.48985 GPRESSAVG: 2552400 6.72755 -39.8463 -45.6295 -40.9284 -42.2794 51.0897 -46.4359 54.1648 -6.50246 TIMING: 2552400 CPU: 8140.3, 0.00321057/step Wall: 8140.3, 0.00321057/step, 2.18283 hours remaining, 241.691406 MB of memory in use. ENERGY: 2552400 3999.6948 20358.0006 14461.5323 256.3012 -203315.9539 2742.9878 0.0000 0.0000 52070.7011 -109426.7361 299.2510 -161497.4372 -109054.4856 299.1322 33.4176 67.8869 761015.7388 -13.9957 -14.0181 PRESSURE: 2552600 112.456 107.304 200.849 107.304 -229.604 194.676 200.85 194.675 65.0869 GPRESSURE: 2552600 160.245 77.2454 185.173 95.1267 -190.475 148.072 111.025 58.9375 69.5805 PRESSAVG: 2552600 14.0444 -40.9529 -38.204 -40.9529 -5.84071 9.16388 -38.2039 9.16383 -1.65801 GPRESSAVG: 2552600 15.1037 -43.3736 -38.7322 -40.4998 -5.61945 10.0618 -35.5062 8.81063 -2.53733 TIMING: 2552600 CPU: 8140.93, 0.00315001/step Wall: 8140.93, 0.00315001/step, 2.14148 hours remaining, 241.894531 MB of memory in use. ENERGY: 2552600 3927.6898 20478.1634 14539.8135 267.4102 -203200.8951 2601.3025 0.0000 0.0000 51801.2666 -109585.2490 297.7026 -161386.5156 -109222.8349 298.8967 -17.3536 13.1170 760280.0971 2.1819 2.3156 PRESSURE: 2552800 -37.3594 -336.413 25.6396 -336.413 -208.179 -102.016 25.641 -102.015 -7.23396 GPRESSURE: 2552800 -0.591985 -141.453 65.3881 -316.501 -122.715 -78.2842 61.1205 -15.405 -49.7351 PRESSAVG: 2552800 -30.4992 21.6558 -9.4095 21.6558 39.3108 63.9514 -9.40952 63.9515 7.10773 GPRESSAVG: 2552800 -30.2815 25.3019 -8.28171 21.1177 39.3623 63.2262 -10.7639 64.1736 6.38296 TIMING: 2552800 CPU: 8141.56, 0.00316746/step Wall: 8141.56, 0.00316746/step, 2.15317 hours remaining, 241.894531 MB of memory in use. ENERGY: 2552800 3904.3840 20575.0373 14481.2020 244.4254 -202809.1197 2257.4550 0.0000 0.0000 51922.5522 -109424.0638 298.3996 -161346.6160 -109063.1075 299.3086 -84.2574 -57.6806 761503.9478 5.3064 5.1546 PRESSURE: 2553000 233.446 137.794 -106.712 137.795 -15.145 -63.9395 -106.712 -63.9377 -96.563 GPRESSURE: 2553000 257.345 51.5464 -66.0559 -16.9664 12.014 -175.633 -117.356 -121.648 -53.9013 PRESSAVG: 2553000 5.31084 6.87951 39.0595 6.87955 3.29708 -46.6465 39.0596 -46.6464 -7.96698 GPRESSAVG: 2553000 5.3645 6.21763 37.2942 6.5684 2.90267 -46.9082 38.7341 -45.9877 -7.17836 TIMING: 2553000 CPU: 8142.19, 0.00318063/step Wall: 8142.19, 0.00318063/step, 2.16195 hours remaining, 241.894531 MB of memory in use. ENERGY: 2553000 4025.8212 20581.5229 14471.9506 242.8156 -203323.6470 2651.6109 0.0000 0.0000 52107.9130 -109242.0128 299.4649 -161349.9258 -108890.4044 299.5012 40.5792 71.8191 759959.5961 0.2136 0.3629 PRESSURE: 2553200 -173.745 179.048 146.681 179.047 -40.2405 350.145 146.68 350.145 -178.941 GPRESSURE: 2553200 -196.887 136.73 93.5895 152.799 30.7641 369.966 110.866 341.282 -135.34 PRESSAVG: 2553200 21.792 56.2384 -7.23696 56.2384 -22.5659 -34.1724 -7.23701 -34.1724 -3.1952 GPRESSAVG: 2553200 19.3412 53.6745 -5.36368 56.241 -21.7929 -34.3226 -8.15016 -35.7435 -1.51214 TIMING: 2553200 CPU: 8142.82, 0.00313164/step Wall: 8142.82, 0.00313164/step, 2.12847 hours remaining, 241.894531 MB of memory in use. ENERGY: 2553200 3958.7384 20379.3552 14501.9061 247.3865 -203013.3687 2268.9180 0.0000 0.0000 52228.8695 -109428.1950 300.1600 -161657.0645 -109055.0413 299.1895 -130.9753 -100.4879 761616.2204 -1.3231 -1.3213 PRESSURE: 2553400 -76.7398 78.6902 -14.6239 78.6903 -192.043 16.3946 -14.6242 16.394 -184.263 GPRESSURE: 2553400 -67.2269 109.677 -15.5598 167.004 -109.635 -2.825 97.717 45.8808 -189.775 PRESSAVG: 2553400 -10.2564 -9.68319 9.32205 -9.68321 32.7979 -28.4777 9.32206 -28.4778 11.3062 GPRESSAVG: 2553400 -9.3149 -7.20705 8.79106 -8.09694 33.0562 -28.7728 12.5077 -25.7523 9.68996 TIMING: 2553400 CPU: 8143.46, 0.00318678/step Wall: 8143.46, 0.00318678/step, 2.16577 hours remaining, 241.894531 MB of memory in use. ENERGY: 2553400 4024.9663 20601.3702 14545.7937 228.0252 -203389.1134 2547.6121 0.0000 0.0000 52010.0244 -109431.3216 298.9023 -161441.3459 -109070.8160 299.4792 -151.0152 -122.2122 760066.5404 11.2826 11.1437 PRESSURE: 2553600 64.2744 -78.7658 112.731 -78.766 -319.006 109.448 112.731 109.448 204.815 GPRESSURE: 2553600 135.166 -81.7109 57.4789 -100.758 -345.474 34.3086 220.174 49.3359 233.111 PRESSAVG: 2553600 48.7365 -3.70991 26.299 -3.70994 -50.4107 -8.89598 26.2989 -8.896 -3.73215 GPRESSAVG: 2553600 49.7147 -3.71079 26.262 -4.69756 -52.2634 -8.17457 23.9191 -11.0249 -3.09913 TIMING: 2553600 CPU: 8144.09, 0.00315638/step Wall: 8144.09, 0.00315638/step, 2.14493 hours remaining, 241.894531 MB of memory in use. ENERGY: 2553600 3939.2598 20574.6364 14540.7102 247.5044 -203327.6693 2632.0850 0.0000 0.0000 51938.5485 -109454.9250 298.4916 -161393.4735 -109089.9159 299.1115 -16.6388 7.6012 760769.8784 -1.8021 -1.8826 PRESSURE: 2553800 137.928 -309.733 44.1684 -309.733 38.2143 173.737 44.168 173.737 -190.13 GPRESSURE: 2553800 208.358 -168.136 82.319 -113.848 73.951 133.981 137.299 104.516 -206.013 PRESSAVG: 2553800 48.1358 -94.5894 69.9658 -94.5894 -20.5517 -18.7247 69.9658 -18.7248 10.0671 GPRESSAVG: 2553800 46.6553 -94.5294 70.333 -94.3866 -19.6817 -17.7118 71.5987 -20.4303 9.97356 TIMING: 2553800 CPU: 8144.72, 0.00315564/step Wall: 8144.72, 0.00315564/step, 2.14426 hours remaining, 241.894531 MB of memory in use. ENERGY: 2553800 4002.1332 20514.1920 14495.8888 258.1926 -204022.7865 3078.5651 0.0000 0.0000 52336.6306 -109337.1842 300.7793 -161673.8148 -108977.3025 299.3381 -4.6627 25.4321 760782.6386 12.5504 12.3157 PRESSURE: 2554000 45.4976 -249.852 -138.931 -249.852 -362.664 -131.09 -138.93 -131.089 165.495 GPRESSURE: 2554000 82.8323 -232.951 -17.0854 -101.686 -277.627 -76.851 -167.045 -110.77 125.5 PRESSAVG: 2554000 44.481 -54.5837 11.8484 -54.5836 -21.845 -8.9421 11.8484 -8.94213 -4.81024 GPRESSAVG: 2554000 45.2514 -54.2867 12.4065 -54.324 -22.1186 -9.5739 10.6786 -4.12122 -4.97177 TIMING: 2554000 CPU: 8145.36, 0.00317609/step Wall: 8145.36, 0.00317609/step, 2.15798 hours remaining, 241.894531 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: 2554000 3930.3913 20543.0962 14609.4784 236.4318 -203358.9049 2586.7530 0.0000 0.0000 52200.3457 -109252.4085 299.9961 -161452.7542 -108894.7901 299.8204 -50.5571 -23.0980 762100.0454 5.9419 6.0537 PRESSURE: 2554200 -432.401 -103.097 -37.9126 -103.097 39.8992 -172.127 -37.9125 -172.128 133.262 GPRESSURE: 2554200 -437.056 -167.912 37.7159 -9.24557 131.815 -95.4005 -62.7629 -196.234 145.014 PRESSAVG: 2554200 18.7818 -51.1811 6.28686 -51.1811 -7.87666 -25.5303 6.28689 -25.5303 2.37558 GPRESSAVG: 2554200 19.2875 -51.904 5.0173 -50.2377 -8.03941 -26.4639 5.22843 -28.0674 2.15425 TIMING: 2554200 CPU: 8146, 0.00319487/step Wall: 8146, 0.00319487/step, 2.17056 hours remaining, 241.894531 MB of memory in use. ENERGY: 2554200 3986.0513 20480.1246 14525.6534 236.4699 -203303.4063 2404.5531 0.0000 0.0000 52227.7504 -109442.8036 300.1536 -161670.5540 -109073.7888 299.5545 -86.4130 -53.4089 761747.7052 4.4269 4.4674 PRESSURE: 2554400 236.977 45.8565 65.075 45.8558 -9.36797 -431.082 65.0754 -431.082 -11.4064 GPRESSURE: 2554400 223.607 -156.213 107.14 44.6314 19.083 -382.798 74.267 -330.163 43.8281 PRESSAVG: 2554400 60.0803 -37.1556 29.407 -37.1556 -32.3246 -24.5019 29.4071 -24.5018 -7.31646 GPRESSAVG: 2554400 59.2594 -38.0649 28.7167 -37.7433 -32.0266 -24.0694 30.9399 -24.294 -7.06841 TIMING: 2554400 CPU: 8146.63, 0.00318275/step Wall: 8146.63, 0.00318275/step, 2.16215 hours remaining, 241.894531 MB of memory in use. ENERGY: 2554400 4032.9725 20451.1380 14551.4403 250.2589 -203692.5696 2708.2022 0.0000 0.0000 52210.9958 -109487.5618 300.0573 -161698.5576 -109114.8804 299.8497 72.0676 95.5062 760789.0879 6.8131 6.7215 PRESSURE: 2554600 -147.262 185.475 -49.9559 185.475 -127.404 -208.987 -49.9559 -208.986 59.7841 GPRESSURE: 2554600 -112.446 148.302 34.7081 176.393 16.8747 -210.603 -60.4954 -192.705 -48.3086 PRESSAVG: 2554600 -5.52981 -22.6744 30.3911 -22.6744 33.962 14.6581 30.3911 14.6581 8.05447 GPRESSAVG: 2554600 -5.89963 -22.8168 32.9891 -24.2078 33.5792 15.1807 27.9172 14.1294 8.6707 TIMING: 2554600 CPU: 8147.27, 0.00317106/step Wall: 8147.27, 0.00317106/step, 2.15403 hours remaining, 241.894531 MB of memory in use. ENERGY: 2554600 4020.0822 20623.0394 14570.1145 232.0007 -203152.0472 2444.1904 0.0000 0.0000 52030.5024 -109232.1177 299.0200 -161262.6200 -108871.3198 299.4187 -71.6273 -47.9600 762096.5173 12.1622 12.1168 PRESSURE: 2554800 -168.793 -15.6431 86.3777 -15.6437 69.5481 69.8839 86.3778 69.8831 132.45 GPRESSURE: 2554800 -146.708 -36.5143 0.732007 -32.3579 124.026 9.72772 183.339 -1.80567 148.58 PRESSAVG: 2554800 2.40703 -35.2601 25.392 -35.2601 -30.4815 41.0086 25.392 41.0086 -10.0235 GPRESSAVG: 2554800 3.62796 -35.1437 23.9837 -34.5413 -30.6747 40.2536 28.8445 43.7367 -10.7105 TIMING: 2554800 CPU: 8147.9, 0.0031567/step Wall: 8147.9, 0.0031567/step, 2.1441 hours remaining, 241.894531 MB of memory in use. ENERGY: 2554800 4007.1079 20582.9021 14521.1856 243.2720 -203289.2153 2703.8064 0.0000 0.0000 52082.0086 -109148.9327 299.3160 -161230.9413 -108792.5766 299.7011 11.0683 41.9659 760683.3313 -12.6993 -12.5857 PRESSURE: 2555000 6.77937 -63.9948 84.4997 -63.9952 -129.432 -43.4914 84.4997 -43.4928 -264.702 GPRESSURE: 2555000 -1.92089 -85.9152 80.5828 21.1809 -84.7594 -34.0276 21.2867 -67.2616 -221.836 PRESSAVG: 2555000 41.1262 11.9532 6.07312 11.9532 5.18156 -69.6722 6.07309 -69.6722 22.6466 GPRESSAVG: 2555000 41.0728 11.419 6.43782 12.1391 5.08487 -70.2174 3.7036 -72.229 22.9262 TIMING: 2555000 CPU: 8148.53, 0.00314889/step Wall: 8148.53, 0.00314889/step, 2.13862 hours remaining, 241.894531 MB of memory in use. ENERGY: 2555000 4068.5610 20585.9504 14572.3280 239.5089 -203162.5695 2694.5062 0.0000 0.0000 51825.4048 -109176.3102 297.8413 -161001.7151 -108819.2484 299.9007 -129.1183 -102.8389 762274.4507 22.9848 23.0279 PRESSURE: 2555200 -107.137 -1.8497 -106.036 -1.84937 30.4756 -335.468 -106.035 -335.468 -145.909 GPRESSURE: 2555200 42.1362 -13.8313 -73.716 152.772 -3.44411 -368.65 25.9086 -335.884 -186.784 PRESSAVG: 2555200 1.22403 -28.1763 10.6725 -28.1762 -11.1964 -34.5187 10.6724 -34.5187 24.277 GPRESSAVG: 2555200 2.10776 -26.3527 11.004 -28.0941 -11.8749 -34.3845 11.8278 -34.5791 24.3269 TIMING: 2555200 CPU: 8149.16, 0.00314541/step Wall: 8149.16, 0.00314541/step, 2.13608 hours remaining, 241.894531 MB of memory in use. ENERGY: 2555200 4039.9689 20507.6540 14504.5098 250.1482 -203395.4442 2552.9103 0.0000 0.0000 52460.3718 -109079.8812 301.4905 -161540.2530 -108703.8277 299.4799 -74.1902 -49.3639 759481.8558 4.7682 4.8533 PRESSURE: 2555400 243.345 -129.913 -104.807 -129.913 -366.077 -106.904 -104.807 -106.903 -293.624 GPRESSURE: 2555400 245.44 -252.987 -99 -131.872 -279.27 -112.87 -208.026 -80.1865 -300.466 PRESSAVG: 2555400 -13.7743 8.42559 -13.3781 8.42566 -18.5035 37.5335 -13.3781 37.5335 -1.09113 GPRESSAVG: 2555400 -13.9054 7.90959 -13.4146 7.81647 -17.874 39.5883 -16.1847 37.5461 -1.58037 TIMING: 2555400 CPU: 8149.78, 0.00314127/step Wall: 8149.78, 0.00314127/step, 2.1331 hours remaining, 241.894531 MB of memory in use. ENERGY: 2555400 4089.6293 20657.9760 14470.5822 241.0161 -203057.7563 2497.0550 0.0000 0.0000 52083.4834 -109018.0143 299.3245 -161101.4976 -108659.1573 300.0619 -138.7853 -111.4318 762932.7112 -11.1230 -11.1199 PRESSURE: 2555600 209.498 -5.84059 -278.753 -5.84042 -114.895 -18.4768 -278.754 -18.4771 6.23729 GPRESSURE: 2555600 130.958 21.9519 -294.147 10.6812 -43.1758 -96.7842 -250.677 50.5511 81.5747 PRESSAVG: 2555600 10.3668 -16.5911 -19.2876 -16.591 -33.9182 -24.9975 -19.2877 -24.9975 9.74782 GPRESSAVG: 2555600 8.93296 -16.2458 -19.0484 -15.9244 -32.196 -25.9621 -16.5964 -25.4391 9.4423 TIMING: 2555600 CPU: 8150.41, 0.0031283/step Wall: 8150.41, 0.0031283/step, 2.12412 hours remaining, 241.894531 MB of memory in use. ENERGY: 2555600 3934.8522 20579.7966 14578.1866 242.3687 -203839.5809 2741.1575 0.0000 0.0000 52625.0704 -109138.1489 302.4370 -161763.2193 -108786.1545 299.9660 33.6137 56.4523 761640.9824 -4.6012 -4.6069 PRESSURE: 2555800 -165.745 167.153 112.466 167.153 -32.8337 -110.645 112.467 -110.644 16.478 GPRESSURE: 2555800 -29.3552 162.828 145.986 175.718 -83.0457 -154.478 117.907 -173.51 17.3495 PRESSAVG: 2555800 47.722 0.99084 13.2776 0.990854 -59.3888 -48.4887 13.2776 -48.4888 0.173442 GPRESSAVG: 2555800 47.3714 1.44321 13.0992 0.962978 -60.358 -49.7618 12.5876 -45.8296 1.24498 TIMING: 2555800 CPU: 8151.04, 0.0031558/step Wall: 8151.04, 0.0031558/step, 2.14261 hours remaining, 241.894531 MB of memory in use. ENERGY: 2555800 3984.2277 20585.4649 14568.5102 245.5033 -203283.8798 2358.0836 0.0000 0.0000 52157.8451 -109384.2449 299.7519 -161542.0900 -109028.4992 300.0822 -60.7004 -31.6838 760937.6714 -3.8311 -3.9139 PRESSURE: 2556000 -175.239 -219.932 -87.6325 -219.932 -184.529 -188.813 -87.6324 -188.813 -63.812 GPRESSURE: 2556000 -182.852 -212.504 -36.0154 -232.72 -83.6896 -104.472 21.8298 -172.823 -54.591 PRESSAVG: 2556000 5.44394 25.4805 23.2229 25.4804 3.74677 -9.44988 23.2229 -9.44991 -9.9741 GPRESSAVG: 2556000 5.77792 26.7726 21.2395 24.9667 3.52792 -7.7385 27.3003 -11.1322 -10.1912 TIMING: 2556000 CPU: 8151.67, 0.00314837/step Wall: 8151.67, 0.00314837/step, 2.13739 hours remaining, 241.894531 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: 2556000 3964.3937 20463.7243 14576.6112 237.3496 -203396.0518 2341.7090 0.0000 0.0000 52293.1560 -109519.1081 300.5295 -161812.2641 -109145.7285 299.1790 -141.1930 -107.0441 760838.8357 -0.2611 -0.2951 PRESSURE: 2556200 -102.869 136.221 -56.0947 136.222 39.7676 -46.48 -56.0941 -46.4799 177.903 GPRESSURE: 2556200 -76.0821 46.52 -77.4057 -43.5573 116.796 19.7606 -79.9507 16.9379 166.602 PRESSAVG: 2556200 -15.5012 64.0815 -20.3279 64.0815 -5.27508 -17.4928 -20.3278 -17.4928 5.71748 GPRESSAVG: 2556200 -14.6703 62.856 -19.4775 64.052 -5.64994 -19.2588 -23.7858 -14.4053 5.77286 TIMING: 2556200 CPU: 8152.3, 0.00316085/step Wall: 8152.3, 0.00316085/step, 2.14569 hours remaining, 241.894531 MB of memory in use. ENERGY: 2556200 3946.6195 20621.1267 14623.7815 247.1120 -203403.0490 2661.4995 0.0000 0.0000 52123.5403 -109179.3695 299.5547 -161302.9098 -108817.2020 299.7049 38.2673 69.1053 762028.3167 -5.0196 -4.8491 LDB: ============= START OF LOAD BALANCING ============== 8164.76 LDB: ============== END OF LOAD BALANCING =============== 8164.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8164.76 LDB: ============= START OF LOAD BALANCING ============== 8165.07 LDB: Largest compute 7026 load 0.034667 is 17.8% of average load 0.195286 LDB: Average compute 0.004399 is 2.3% of average load 0.195286 LDB: TIME 8165.08 LOAD: AVG 0.195286 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.219 MB LDB: TIME 8165.08 LOAD: AVG 0.195286 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.316 MB LDB: TIME 8165.08 LOAD: AVG 0.195286 MAX 0.213499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.316 MB LDB: ============== END OF LOAD BALANCING =============== 8165.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8165.08 PRESSURE: 2556400 -82.5364 75.4876 26.0906 75.4874 -313.272 -32.3741 26.0913 -32.3746 -17.9289 GPRESSURE: 2556400 -139.391 -13.6858 61.7459 -12.6372 -206.122 46.3081 1.77688 -106.416 8.21819 PRESSAVG: 2556400 41.2178 -11.4382 -18.2017 -11.4381 -45.8588 1.40968 -18.2017 1.40969 -21.75 GPRESSAVG: 2556400 40.1418 -13.3321 -17.6334 -10.5528 -45.3053 2.55147 -18.7131 -0.297125 -21.4038 TIMING: 2556400 CPU: 8152.95, 0.00323215/step Wall: 8152.95, 0.00323215/step, 2.19391 hours remaining, 242.347656 MB of memory in use. ENERGY: 2556400 4037.0101 20591.7149 14571.5660 257.3092 -203837.4482 2861.2830 0.0000 0.0000 52191.8160 -109326.7490 299.9471 -161518.5651 -108963.8694 300.0294 -137.9126 -112.4317 762462.5784 -8.7970 -8.8557 PRESSURE: 2556600 -77.9571 -285.934 -399.404 -285.935 -68.6796 -239.625 -399.404 -239.625 -120.581 GPRESSURE: 2556600 -89.6942 -310.189 -457.299 -267.403 -4.31081 -217.284 -288.722 -149.905 -96.6623 PRESSAVG: 2556600 25.0253 23.9872 -34.288 23.9872 -14.4326 9.10077 -34.288 9.10077 -8.84014 GPRESSAVG: 2556600 25.4194 25.4647 -33.3665 24.0302 -14.4164 9.70056 -31.8903 7.56662 -9.8066 TIMING: 2556600 CPU: 8153.58, 0.00315884/step Wall: 8153.58, 0.00315884/step, 2.14398 hours remaining, 242.414062 MB of memory in use. ENERGY: 2556600 4008.9609 20495.1323 14528.5685 243.5127 -203592.8356 2549.8044 0.0000 0.0000 52292.5274 -109474.3295 300.5259 -161766.8569 -109103.2531 299.6888 -89.0726 -63.5558 761709.4292 0.5842 0.3988 PRESSURE: 2556800 -359.153 205.359 -130.393 205.36 -219.791 -50.7488 -130.393 -50.7484 183.775 GPRESSURE: 2556800 -174.96 217.274 -148.486 131.056 -232.631 -63.7377 -169.851 -183.558 105.579 PRESSAVG: 2556800 12.1614 -14.9499 0.384487 -14.9498 19.1929 -17.4294 0.384495 -17.4294 -24.8592 GPRESSAVG: 2556800 12.1626 -13.67 -1.20201 -16.6793 19.5784 -19.0788 -1.79354 -17.6976 -24.8397 TIMING: 2556800 CPU: 8154.21, 0.00315348/step Wall: 8154.21, 0.00315348/step, 2.14016 hours remaining, 242.414062 MB of memory in use. ENERGY: 2556800 3943.1997 20502.2203 14539.5136 251.2475 -203185.6934 2425.4501 0.0000 0.0000 52148.4973 -109375.5649 299.6981 -161524.0622 -108996.8042 299.9215 -131.7232 -100.6704 760008.2801 2.1650 2.3005 PRESSURE: 2557000 40.8188 29.8012 99.6366 29.8019 -485.238 83.7573 99.6373 83.7565 -221.271 GPRESSURE: 2557000 -3.1061 37.4086 137.897 93.128 -404.957 81.5141 69.5598 267.454 -163.835 PRESSAVG: 2557000 25.5091 46.5203 -38.7791 46.5204 1.3784 22.6065 -38.7791 22.6064 16.133 GPRESSAVG: 2557000 26.2947 46.3968 -39.3075 47.4895 0.931293 24.9411 -38.4061 23.6742 15.9582 TIMING: 2557000 CPU: 8154.84, 0.0031531/step Wall: 8154.84, 0.0031531/step, 2.13973 hours remaining, 242.414062 MB of memory in use. ENERGY: 2557000 4008.4573 20624.6131 14496.6975 245.0489 -203269.6066 2333.4091 0.0000 0.0000 52432.8677 -109128.5130 301.3324 -161561.3806 -108767.6694 299.8467 -221.8968 -190.6326 761228.8468 14.3402 14.3947 PRESSURE: 2557200 -111.991 76.5548 -167.95 76.5545 -112.209 -127.411 -167.949 -127.41 -134.965 GPRESSURE: 2557200 -68.9084 139.874 -108.059 87.9836 -84.2551 -86.7699 -129.359 -78.4564 -148.996 PRESSAVG: 2557200 -0.81011 -35.5804 -8.2293 -35.5805 7.57644 99.0687 -8.22932 99.0687 1.74869 GPRESSAVG: 2557200 -1.04002 -37.3875 -6.99154 -35.0239 7.37911 97.8971 -8.95588 99.065 1.83333 TIMING: 2557200 CPU: 8155.47, 0.00314162/step Wall: 8155.47, 0.00314162/step, 2.13176 hours remaining, 242.414062 MB of memory in use. ENERGY: 2557200 3978.2089 20633.6365 14552.1240 243.5599 -203432.5748 2422.8283 0.0000 0.0000 52421.3477 -109180.8695 301.2662 -161602.2172 -108827.9054 300.5078 -119.7214 -100.7198 760465.2719 2.8383 2.7241 PRESSURE: 2557400 -158.761 -77.8057 -87.3086 -77.8054 -544.683 103.264 -87.3089 103.265 155.359 GPRESSURE: 2557400 -192.024 -120.539 -94.4619 -37.1583 -439.393 73.6249 14.4005 177.916 167.366 PRESSAVG: 2557400 41.1909 43.649 8.32221 43.649 -50.3223 -1.1504 8.32222 -1.15038 -20.2841 GPRESSAVG: 2557400 42.1215 44.4706 8.62333 43.3106 -51.033 -3.03005 9.08261 -0.720754 -20.3419 TIMING: 2557400 CPU: 8156.1, 0.00314429/step Wall: 8156.1, 0.00314429/step, 2.1334 hours remaining, 242.414062 MB of memory in use. ENERGY: 2557400 4065.9604 20601.5883 14574.4764 249.5839 -202617.2919 2074.4261 0.0000 0.0000 51991.3319 -109059.9249 298.7949 -161051.2568 -108698.4538 300.2039 -182.6950 -154.6835 761791.6423 -9.8051 -9.7511 PRESSURE: 2557600 461.404 63.153 126.223 63.1525 505.052 128.116 126.223 128.117 514.778 GPRESSURE: 2557600 500.766 -6.1862 161.836 -12.048 548.965 135.458 156.92 81.5227 520.897 PRESSAVG: 2557600 -32.2426 -7.03593 3.97642 -7.03593 -14.8039 -20.6574 3.97642 -20.6574 1.30313 GPRESSAVG: 2557600 -32.8529 -8.9128 2.70927 -7.67668 -14.8255 -20.1136 4.84193 -19.8493 1.5812 TIMING: 2557600 CPU: 8156.73, 0.00313801/step Wall: 8156.73, 0.00313801/step, 2.12896 hours remaining, 242.414062 MB of memory in use. ENERGY: 2557600 3929.3267 20536.8545 14534.5951 242.7753 -203278.2803 2936.2267 0.0000 0.0000 51967.3204 -109131.1817 298.6569 -161098.5021 -108779.7700 299.7624 493.7445 523.5427 759163.1525 -15.2478 -15.3658 PRESSURE: 2557800 -5.92268 -219.829 -113.186 -219.829 -287.223 -238.851 -113.186 -238.851 -2.6101 GPRESSURE: 2557800 -13.5599 -232.411 -89.5276 -224.165 -238.21 -290.586 -137.394 -151.196 21.5161 PRESSAVG: 2557800 27.4719 22.0842 28.3477 22.0842 -36.6402 7.98731 28.3476 7.98731 19.6263 GPRESSAVG: 2557800 26.2688 21.8102 29.9685 24.1105 -34.7607 7.58874 28.0608 7.69245 18.026 TIMING: 2557800 CPU: 8157.36, 0.00314606/step Wall: 8157.36, 0.00314606/step, 2.13425 hours remaining, 242.414062 MB of memory in use. ENERGY: 2557800 3926.4457 20401.4031 14545.9432 267.8714 -203040.6901 2365.8024 0.0000 0.0000 52305.4120 -109227.8123 300.5999 -161533.2243 -108858.6906 299.5535 -98.5852 -76.7513 760927.6667 3.4860 3.1780 PRESSURE: 2558000 221.857 -67.1312 -277.623 -67.1311 208.104 -111.666 -277.623 -111.665 183.599 GPRESSURE: 2558000 254.504 -101.578 -225.208 -46.8379 265.26 -51.7678 -171.71 -135.818 174.828 PRESSAVG: 2558000 10.193 -23.516 2.84035 -23.5159 9.4783 -23.7119 2.84036 -23.7119 8.56369 GPRESSAVG: 2558000 10.2319 -20.8741 4.01426 -26.0404 7.03967 -23.1511 3.87399 -24.1047 10.8732 TIMING: 2558000 CPU: 8157.99, 0.00315099/step Wall: 8157.99, 0.00315099/step, 2.13742 hours remaining, 242.414062 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: 2558000 3901.4193 20520.9787 14443.8615 249.4808 -203290.2741 2658.9405 0.0000 0.0000 52328.8504 -109186.7429 300.7346 -161515.5933 -108827.9511 299.3985 204.5198 231.5307 760341.9678 9.4117 9.3816 PRESSURE: 2558200 -133.876 144.24 -126.039 144.24 90.3127 73.8938 -126.039 73.8944 -337.613 GPRESSURE: 2558200 -111.879 76.0669 -119.473 96.1833 186.862 103.05 -107.394 72.0668 -363.383 PRESSAVG: 2558200 -35.8781 -4.01067 0.751024 -4.0107 21.2741 -14.8314 0.7511 -14.8315 -4.32619 GPRESSAVG: 2558200 -35.5361 -6.1798 0.696446 -2.00076 21.1185 -15.1931 -2.43033 -17.4021 -4.40465 TIMING: 2558200 CPU: 8158.62, 0.00315911/step Wall: 8158.62, 0.00315911/step, 2.14276 hours remaining, 242.414062 MB of memory in use. ENERGY: 2558200 3990.3713 20534.1985 14503.5347 235.6015 -203035.7256 2384.5935 0.0000 0.0000 52114.8603 -109272.5659 299.5048 -161387.4262 -108915.8991 299.6251 -127.0586 -96.1332 761813.2902 -6.3101 -6.2741 PRESSURE: 2558400 -8.63221 -93.8164 -220.614 -93.816 -6.91156 -140.87 -220.615 -140.87 90.2909 GPRESSURE: 2558400 25.1157 -38.8783 -286.63 -132.796 31.1975 -113.206 -128.772 -62.363 114.496 PRESSAVG: 2558400 -46.8576 -3.72001 -0.225904 -3.71998 65.6244 -13.638 -0.225797 -13.638 25.2183 GPRESSAVG: 2558400 -45.0543 -1.95346 -1.72542 -3.80134 65.622 -12.9912 2.26052 -10.4524 23.4013 TIMING: 2558400 CPU: 8159.25, 0.0031404/step Wall: 8159.25, 0.0031404/step, 2.12989 hours remaining, 242.414062 MB of memory in use. ENERGY: 2558400 3977.9111 20491.4288 14537.6572 247.0921 -203371.3176 2520.0829 0.0000 0.0000 52193.2477 -109403.8979 299.9553 -161597.1455 -109034.3048 299.1418 24.9157 56.9364 758485.1272 14.6617 14.6563 PRESSURE: 2558600 287.371 41.4825 63.9717 41.4829 42.5057 -119.108 63.9716 -119.108 72.7775 GPRESSURE: 2558600 213.071 187.165 39.3713 -6.9353 168.974 -166.096 76.5062 3.94875 115.022 PRESSAVG: 2558600 10.2378 -13.9758 33.4865 -13.9758 -2.36323 -15.5859 33.4864 -15.5858 -0.954356 GPRESSAVG: 2558600 9.39041 -14.0884 33.8686 -15.6175 -1.68416 -15.8221 33.4482 -14.4394 -0.956466 TIMING: 2558600 CPU: 8159.87, 0.00313731/step Wall: 8159.87, 0.00313731/step, 2.12762 hours remaining, 242.414062 MB of memory in use. ENERGY: 2558600 3938.9119 20446.7605 14495.3195 254.6116 -203744.8109 2854.6235 0.0000 0.0000 52199.9080 -109554.6759 299.9936 -161754.5839 -109189.0651 299.7223 134.2179 165.6891 760507.4954 2.3067 2.2499 PRESSURE: 2558800 -0.0226629 64.2209 -132.848 64.2202 364.614 -89.3203 -132.848 -89.321 218.633 GPRESSURE: 2558800 46.794 70.2692 -158.742 2.96837 366.248 -69.4296 -59.6863 -158.739 243.169 PRESSAVG: 2558800 -35.9538 4.59767 -78.8615 4.5977 45.5244 -4.96372 -78.8614 -4.96386 -14.5504 GPRESSAVG: 2558800 -35.9301 1.60323 -79.4938 6.94063 44.8995 -7.22233 -79.9885 -6.21526 -13.5093 TIMING: 2558800 CPU: 8160.5, 0.00313644/step Wall: 8160.5, 0.00313644/step, 2.12686 hours remaining, 242.414062 MB of memory in use. ENERGY: 2558800 4009.1028 20395.8421 14464.8918 246.1329 -203224.2242 2444.1105 0.0000 0.0000 52183.0538 -109481.0903 299.8967 -161664.1441 -109113.8356 299.0036 194.4078 218.7369 758373.3284 -1.6599 -1.5133 PRESSURE: 2559000 494.651 114.63 111.52 114.63 49.2663 167.776 111.521 167.776 -1.38304 GPRESSURE: 2559000 568.536 26.4418 29.0451 181.447 106.351 208.18 83.7633 105.473 -49.0227 PRESSAVG: 2559000 19.3657 44.0638 -46.4624 44.0638 -24.7031 -58.3993 -46.4624 -58.3993 11.0452 GPRESSAVG: 2559000 19.5584 45.5899 -46.3289 44.2261 -23.2964 -55.4609 -47.3478 -61.1455 9.73099 TIMING: 2559000 CPU: 8161.13, 0.00313775/step Wall: 8161.13, 0.00313775/step, 2.12757 hours remaining, 242.414062 MB of memory in use. ENERGY: 2559000 3956.2823 20364.6646 14466.9516 232.6266 -203315.1992 2694.9752 0.0000 0.0000 52168.6715 -109431.0275 299.8141 -161599.6989 -109069.5997 299.2127 180.8449 208.6213 758979.2460 1.9026 1.9977 PRESSURE: 2559200 60.1067 -142.594 82.0284 -142.593 153.705 -121.602 82.0287 -121.603 153.483 GPRESSURE: 2559200 147.02 -15.364 59.091 -184.758 166.132 -55.8563 179.864 2.67587 133.583 PRESSAVG: 2559200 5.95815 15.4357 43.417 15.4357 3.21408 -64.8559 43.417 -64.8558 -11.4635 GPRESSAVG: 2559200 6.26391 15.9497 44.4125 13.9879 2.42161 -66.1422 43.9279 -63.1067 -11.8931 TIMING: 2559200 CPU: 8161.75, 0.00312294/step Wall: 8161.75, 0.00312294/step, 2.11735 hours remaining, 242.414062 MB of memory in use. ENERGY: 2559200 3954.2793 20392.6099 14526.1380 258.7785 -203274.8900 2566.9827 0.0000 0.0000 51806.1018 -109769.9998 297.7304 -161576.1016 -109408.4112 298.7505 122.4318 148.9116 759271.2549 -0.7638 -1.0692 PRESSURE: 2559400 -169.822 -94.058 -231.603 -94.0579 243.021 -339.234 -231.603 -339.235 191.751 GPRESSURE: 2559400 -188.196 -33.3147 -183.131 -31.5755 335.766 -260.019 -244.963 -348.222 212.156 PRESSAVG: 2559400 16.9516 3.37539 -4.63208 3.37537 -32.889 -69.1318 -4.6321 -69.1318 5.051 GPRESSAVG: 2559400 16.5875 4.26627 -5.36169 3.05591 -33.4905 -68.9196 -4.82061 -70.0738 6.11553 TIMING: 2559400 CPU: 8162.38, 0.00312921/step Wall: 8162.38, 0.00312921/step, 2.12143 hours remaining, 242.414062 MB of memory in use. ENERGY: 2559400 3939.9091 20607.3964 14456.0732 251.5834 -203347.3838 2510.1269 0.0000 0.0000 51958.4758 -109623.8191 298.6061 -161582.2948 -109263.3096 298.6477 88.3165 119.9088 760772.8676 -3.6288 -3.5958 PRESSURE: 2559600 26.7477 135.935 -13.1285 135.935 -405.984 -311.843 -13.129 -311.845 -64.8307 GPRESSURE: 2559600 20.2101 43.1077 53.259 92.2 -389.377 -302.815 -30.1219 -289.03 22.658 PRESSAVG: 2559600 -19.4754 -15.4871 22.7005 -15.4872 47.9123 -28.5949 22.7005 -28.595 1.45504 GPRESSAVG: 2559600 -19.5587 -18.0358 21.852 -15.5205 48.4367 -28.2462 22.8885 -28.5532 1.6786 TIMING: 2559600 CPU: 8163, 0.00312456/step Wall: 8163, 0.00312456/step, 2.1181 hours remaining, 242.414062 MB of memory in use. ENERGY: 2559600 3965.3231 20593.3993 14601.8731 264.5580 -203380.1774 2484.6124 0.0000 0.0000 51990.4396 -109479.9719 298.7898 -161470.4115 -109110.8271 298.8817 -148.0225 -115.5030 760055.8503 9.9640 10.1855 PRESSURE: 2559800 -117.381 175.998 -24.4818 175.998 -48.1943 155.214 -24.4816 155.214 245.728 GPRESSURE: 2559800 -51.5429 156.751 -43.6176 295.245 -3.49581 137.088 -12.6018 89.7224 217.957 PRESSAVG: 2559800 6.7913 -8.31167 -40.4775 -8.31169 9.52847 -59.4765 -40.4776 -59.4765 4.04376 GPRESSAVG: 2559800 6.04558 -7.13703 -40.9895 -7.46157 9.65117 -59.2543 -39.4023 -59.2142 4.1048 TIMING: 2559800 CPU: 8163.63, 0.00313387/step Wall: 8163.63, 0.00313387/step, 2.12424 hours remaining, 242.414062 MB of memory in use. ENERGY: 2559800 3930.4562 20514.4865 14489.5694 231.5837 -203328.8855 2639.2785 0.0000 0.0000 52200.3369 -109323.1743 299.9961 -161523.5112 -108956.0698 299.3937 26.7175 54.3061 762480.4124 6.7878 6.6005 PRESSURE: 2560000 -282.572 28.0286 -18.3902 28.0283 63.5949 -326.017 -18.3898 -326.017 -154.232 GPRESSURE: 2560000 -130.909 -44.0322 -35.7661 74.9685 -68.577 -382.689 -34.2767 -375.45 -92.3534 PRESSAVG: 2560000 -1.54861 -12.5582 -71.6405 -12.5582 -61.9924 -6.29173 -71.6405 -6.2918 14.7328 GPRESSAVG: 2560000 -1.11582 -14.638 -69.9963 -13.0711 -62.5724 -5.39423 -72.597 -5.38167 14.3653 TIMING: 2560000 CPU: 8164.26, 0.00313775/step Wall: 8164.26, 0.00313775/step, 2.1267 hours remaining, 242.414062 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: 2560000 3978.4653 20485.3330 14463.0849 244.6397 -203191.5682 2632.3867 0.0000 0.0000 52040.0779 -109347.5807 299.0750 -161387.6586 -108981.3192 299.4288 -124.4028 -97.2799 763958.8259 -16.2694 -16.4410 PRESSURE: 2560200 140.191 -193.624 116.565 -193.623 -61.1676 66.6069 116.565 66.6067 204.735 GPRESSURE: 2560200 115.372 -87.0126 106.521 -150.715 -14.7023 37.6823 97.8104 145.151 275.079 PRESSAVG: 2560200 -6.34239 -50.6605 -17.0098 -50.6605 -36.1904 -68.1956 -17.0098 -68.1956 -20.3449 GPRESSAVG: 2560200 -7.03983 -47.6418 -16.7016 -49.9688 -35.3891 -69.5482 -17.3399 -68.312 -20.2021 TIMING: 2560200 CPU: 8164.89, 0.0031611/step Wall: 8164.89, 0.0031611/step, 2.14235 hours remaining, 242.414062 MB of memory in use. ENERGY: 2560200 3958.8500 20484.3307 14460.9213 251.1855 -203596.9763 2949.3656 0.0000 0.0000 52058.4344 -109433.8887 299.1805 -161492.3231 -109056.3318 299.2754 94.5859 125.2497 762760.1227 -20.9592 -20.8770 LDB: ============= START OF LOAD BALANCING ============== 8177.34 LDB: ============== END OF LOAD BALANCING =============== 8177.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8177.34 LDB: ============= START OF LOAD BALANCING ============== 8177.65 LDB: Largest compute 7072 load 0.033826 is 17.3% of average load 0.195260 LDB: Average compute 0.004376 is 2.2% of average load 0.195260 LDB: TIME 8177.66 LOAD: AVG 0.19526 MAX 0.218373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.824 MB LDB: TIME 8177.66 LOAD: AVG 0.19526 MAX 0.218373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.828 MB LDB: TIME 8177.66 LOAD: AVG 0.19526 MAX 0.217243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.828 MB LDB: ============== END OF LOAD BALANCING =============== 8177.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8177.66 PRESSURE: 2560400 75.0314 -0.106452 182.705 -0.106231 -121.847 -58.7345 182.705 -58.7344 283.502 GPRESSURE: 2560400 9.25661 -4.52895 154.747 17.0412 -37.8288 -101.709 105.495 -46.4734 331.37 PRESSAVG: 2560400 16.1451 -52.2737 -17.7273 -52.2737 -29.4014 24.4191 -17.7273 24.4191 9.37526 GPRESSAVG: 2560400 15.828 -52.9914 -18.6827 -51.9893 -28.7857 25.4487 -18.9002 26.6841 9.14542 TIMING: 2560400 CPU: 8165.53, 0.00319245/step Wall: 8165.53, 0.00319245/step, 2.16342 hours remaining, 241.046875 MB of memory in use. ENERGY: 2560400 3915.2623 20719.1396 14520.6985 248.6161 -203514.9462 2690.0924 0.0000 0.0000 51956.5395 -109464.5977 298.5949 -161421.1373 -109107.3346 298.7122 78.8957 100.9326 761808.2977 -1.2937 -1.2708 PRESSURE: 2560600 -106.893 -10.5904 -12.2418 -10.5903 64.268 -140.288 -12.2418 -140.288 -129.594 GPRESSURE: 2560600 -16.5145 -38.2244 -22.6467 21.0444 12.3783 -134.673 56.2009 -118.305 -83.4414 PRESSAVG: 2560600 -28.892 -23.2224 -11.3878 -23.2224 -40.3587 39.8029 -11.3878 39.803 -4.30468 GPRESSAVG: 2560600 -29.6073 -22.606 -12.3689 -25.5972 -39.1514 40.2838 -9.19953 37.6698 -5.47501 TIMING: 2560600 CPU: 8166.16, 0.00315138/step Wall: 8166.16, 0.00315138/step, 2.13541 hours remaining, 241.250000 MB of memory in use. ENERGY: 2560600 4076.0647 20455.0092 14478.2877 256.6741 -203693.7415 2707.5311 0.0000 0.0000 52189.6164 -109530.5582 299.9344 -161720.1747 -109165.6443 298.7588 -57.4065 -29.1925 761068.7361 -24.5185 -24.7446 PRESSURE: 2560800 -22.2267 -127.207 -71.5228 -127.206 55.8013 -142.962 -71.5237 -142.961 -188.976 GPRESSURE: 2560800 -3.22264 -232.521 -103.949 -96.5722 104.328 -111.953 -43.2439 -210.908 -165.813 PRESSAVG: 2560800 -10.1696 -23.6659 40.3412 -23.6659 22.2785 -23.5705 40.3412 -23.5706 5.95766 GPRESSAVG: 2560800 -8.14073 -24.4397 40.3538 -23.1686 19.6335 -23.1086 40.5849 -21.0026 6.79074 TIMING: 2560800 CPU: 8166.79, 0.00316212/step Wall: 8166.79, 0.00316212/step, 2.14251 hours remaining, 241.250000 MB of memory in use. ENERGY: 2560800 3919.2924 20606.0726 14507.3458 248.9504 -203368.0111 2610.0460 0.0000 0.0000 51952.9645 -109523.3394 298.5744 -161476.3039 -109154.6821 298.8893 -51.8003 -21.5694 762725.5204 6.0222 6.0945 PRESSURE: 2561000 -105.631 26.3618 177.767 26.3624 -177.657 -3.93936 177.767 -3.93807 -294.364 GPRESSURE: 2561000 -104.779 31.3291 150.508 -10.973 -56.5935 -14.7659 86.257 -61.7217 -330.488 PRESSAVG: 2561000 22.7464 -1.82689 -66.0232 -1.82682 4.34777 23.4407 -66.0231 23.4408 22.8526 GPRESSAVG: 2561000 22.8796 -0.943404 -65.4601 -0.791843 5.17253 19.7261 -67.2409 22.913 21.8423 TIMING: 2561000 CPU: 8167.42, 0.00316505/step Wall: 8167.42, 0.00316505/step, 2.14432 hours remaining, 241.250000 MB of memory in use. ENERGY: 2561000 3922.3253 20585.9597 14529.7557 237.4796 -203630.3327 2831.2040 0.0000 0.0000 52019.8157 -109503.7926 298.9586 -161523.6083 -109138.3114 299.1610 -192.5508 -163.9533 763755.6641 16.6489 16.6315 PRESSURE: 2561200 -166.146 -28.2137 -84.691 -28.2135 -116.23 -19.1652 -84.6916 -19.1634 -207.33 GPRESSURE: 2561200 -149.198 -88.3049 -80.5535 22.5764 -85.7277 5.72084 -145.845 -50.8686 -157.938 PRESSAVG: 2561200 -18.854 -8.50662 10.5361 -8.50666 -0.617571 18.3835 10.5361 18.3835 -6.17296 GPRESSAVG: 2561200 -19.6369 -11.1194 9.74126 -10.8302 -0.779021 21.6981 10.7316 18.132 -5.48002 TIMING: 2561200 CPU: 8168.05, 0.00314694/step Wall: 8168.05, 0.00314694/step, 2.13188 hours remaining, 241.250000 MB of memory in use. ENERGY: 2561200 3973.9149 20635.5192 14492.1177 232.0945 -203348.1594 2529.6224 0.0000 0.0000 51869.0867 -109615.8040 298.0924 -161484.8907 -109256.6319 298.9006 -163.2355 -130.9546 762562.2389 -8.5482 -8.6320 PRESSURE: 2561400 -427.245 -158.996 -75.3498 -158.996 118.701 185.77 -75.3499 185.771 80.0602 GPRESSURE: 2561400 -207.468 -143.972 94.388 -139.73 57.6604 235.111 -55.8588 98.2305 16.1641 PRESSAVG: 2561400 -32.6696 37.0125 -29.4751 37.0125 35.7982 35.9948 -29.4751 35.9948 11.7162 GPRESSAVG: 2561400 -31.8562 39.2096 -28.2984 38.1661 34.9134 35.6649 -31.0419 35.5281 12.2834 TIMING: 2561400 CPU: 8168.69, 0.00315632/step Wall: 8168.69, 0.00315632/step, 2.13805 hours remaining, 241.250000 MB of memory in use. ENERGY: 2561400 4002.0545 20595.2414 14511.6369 260.9673 -203468.8671 2726.2470 0.0000 0.0000 51855.2750 -109517.4450 298.0130 -161372.7200 -109148.7546 298.9441 -76.1612 -44.5478 762108.8531 4.9483 5.1135 PRESSURE: 2561600 -13.9516 -17.0429 28.5175 -17.0426 346.287 -100.589 28.5168 -100.589 55.7254 GPRESSURE: 2561600 -1.96578 -7.91165 38.1642 164.772 321.195 -38.041 60.9422 -142.23 168.126 PRESSAVG: 2561600 -14.2339 8.84141 1.36339 8.84137 13.0458 34.0382 1.3634 34.0382 -4.1316 GPRESSAVG: 2561600 -15.842 8.51797 1.59144 11.5165 14.1385 33.7229 4.92564 32.0929 -3.56599 TIMING: 2561600 CPU: 8169.32, 0.00315083/step Wall: 8169.32, 0.00315083/step, 2.13416 hours remaining, 241.250000 MB of memory in use. ENERGY: 2561600 3933.3978 20491.7350 14550.2255 259.1396 -203513.5243 2714.4247 0.0000 0.0000 52235.8584 -109328.7433 300.2002 -161564.6017 -108950.8869 299.2800 129.3536 162.4518 761595.8900 -1.7732 -1.7565 PRESSURE: 2561800 50.7619 39.407 82.2757 39.4073 -115.253 -47.199 82.2757 -47.1995 -103.969 GPRESSURE: 2561800 34.9061 50.0755 60.8181 -27.4547 -62.1132 38.3162 84.0003 -51.545 -67.1948 PRESSAVG: 2561800 20.4879 56.8692 -57.6964 56.8692 -10.9866 -8.06181 -57.6964 -8.06185 2.95086 GPRESSAVG: 2561800 22.6726 58.5081 -58.9315 55.2239 -12.296 -7.98861 -57.9305 -7.88199 2.36549 TIMING: 2561800 CPU: 8169.94, 0.00312162/step Wall: 8169.94, 0.00312162/step, 2.11421 hours remaining, 241.250000 MB of memory in use. ENERGY: 2561800 3957.5746 20556.0562 14565.8534 233.5707 -203097.5853 2533.8845 0.0000 0.0000 52061.3640 -109189.2819 299.1974 -161250.6459 -108821.1625 299.7041 -56.1532 -31.4673 762894.7744 4.1507 4.2474 PRESSURE: 2562000 -96.1892 258.118 197.478 258.118 -92.5409 -121.399 197.478 -121.4 301.36 GPRESSURE: 2562000 -21.8392 174.309 172.334 208.791 -28.7749 -16.7176 5.08661 -41.3189 240.724 PRESSAVG: 2562000 -57.7102 12.3527 21.8711 12.3527 -11.8247 -11.9288 21.8712 -11.9288 -12.5833 GPRESSAVG: 2562000 -58.8316 9.09342 19.8719 12.4798 -10.0219 -12.0226 20.988 -10.3848 -13.9102 TIMING: 2562000 CPU: 8170.57, 0.00315741/step Wall: 8170.57, 0.00315741/step, 2.13827 hours remaining, 241.250000 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: 2562000 3967.3423 20629.3793 14518.7199 262.9176 -203349.6111 2433.9447 0.0000 0.0000 52181.1358 -109356.1716 299.8857 -161537.3074 -108993.7133 299.0455 37.5434 63.3700 761809.9678 -27.3727 -27.5879 PRESSURE: 2562200 113.133 7.19678 20.9936 7.19581 -298.251 108.537 20.9928 108.537 -49.7977 GPRESSURE: 2562200 22.3608 -87.5029 31.465 -20.3311 -141.13 42.256 -89.5987 189.666 -29.8039 PRESSAVG: 2562200 5.31872 11.5425 -10.9118 11.5424 -11.4438 -3.60125 -10.9119 -3.60115 1.90792 GPRESSAVG: 2562200 6.5547 13.7002 -8.51811 10.5703 -12.3486 -3.9689 -11.3923 -2.9164 2.20686 TIMING: 2562200 CPU: 8171.2, 0.00312281/step Wall: 8171.2, 0.00312281/step, 2.11466 hours remaining, 241.250000 MB of memory in use. ENERGY: 2562200 4110.0371 20660.1088 14502.0384 263.8559 -203704.4818 3083.5528 0.0000 0.0000 52084.0846 -109000.8042 299.3280 -161084.8888 -108634.2260 300.0509 -78.3054 -49.5244 762348.0051 -1.4057 -1.1957 PRESSURE: 2562400 -196.39 119.33 16.1582 119.33 134.584 3.89713 16.1588 3.8974 -26.0582 GPRESSURE: 2562400 -93.1257 66.5489 107.449 58.9985 106.238 -60.976 41.3937 16.7359 -49.3208 PRESSAVG: 2562400 -1.60502 -13.6802 10.7563 -13.6801 9.53601 13.9461 10.7564 13.946 7.74528 GPRESSAVG: 2562400 -1.11963 -15.5338 11.5642 -13.7954 8.45935 14.7898 11.1219 14.2496 8.10902 TIMING: 2562400 CPU: 8171.82, 0.0031434/step Wall: 8171.82, 0.0031434/step, 2.12843 hours remaining, 241.250000 MB of memory in use. ENERGY: 2562400 4049.1313 20531.5913 14574.5419 262.5325 -203016.3206 2278.3288 0.0000 0.0000 52432.2058 -108887.9890 301.3286 -161320.1948 -108517.4391 300.1248 -29.2879 -12.0696 762531.6246 5.2254 5.1496 PRESSURE: 2562600 19.351 -267.464 39.2812 -267.464 422.361 397.074 39.2813 397.074 -1.71991 GPRESSURE: 2562600 45.1609 -199.077 51.0754 -388.738 436.063 332.954 -18.9579 289.763 55.1017 PRESSAVG: 2562600 24.3431 -41.3196 -36.8103 -41.3196 -2.06247 -19.3272 -36.8103 -19.3272 -0.47448 GPRESSAVG: 2562600 23.8046 -42.5933 -38.2454 -40.2787 -2.62286 -19.1324 -36.3211 -20.0839 -0.174835 TIMING: 2562600 CPU: 8172.46, 0.00317663/step Wall: 8172.46, 0.00317663/step, 2.15075 hours remaining, 241.250000 MB of memory in use. ENERGY: 2562600 4000.4467 20382.7805 14572.7161 244.0802 -203138.1994 2587.1064 0.0000 0.0000 52185.4141 -109165.6553 299.9103 -161351.0694 -108798.8412 300.3047 146.6639 178.7752 761859.8059 7.2687 7.0023 PRESSURE: 2562800 241.31 -29.5652 139.599 -29.5649 -237.064 -195.627 139.6 -195.628 -138.914 GPRESSURE: 2562800 250.362 18.6576 216.641 -23.9064 -239.837 -83.9042 100.571 -207.233 -44.8971 PRESSAVG: 2562800 21.1446 -72.7598 -14.6975 -72.7598 -19.357 28.9333 -14.6976 28.9334 28.2317 GPRESSAVG: 2562800 20.5662 -71.1145 -12.3049 -73.3772 -18.5391 27.8104 -17.0444 28.4571 28.0979 TIMING: 2562800 CPU: 8173.09, 0.0031588/step Wall: 8173.09, 0.0031588/step, 2.13851 hours remaining, 241.250000 MB of memory in use. ENERGY: 2562800 4014.6221 20251.4621 14579.8341 243.9876 -203336.9780 2675.0255 0.0000 0.0000 52371.5836 -109200.4630 300.9802 -161572.0466 -108835.6887 299.5691 -44.8893 -11.4574 761046.6139 10.0064 10.0417 PRESSURE: 2563000 -147.758 35.6143 -257.49 35.6142 24.5133 134.714 -257.49 134.714 44.2709 GPRESSURE: 2563000 -108.041 -7.89081 -328.145 33.0259 53.7439 164.176 -205.299 87.23 58.1996 PRESSAVG: 2563000 -41.033 -37.7409 -4.7893 -37.7409 8.34569 -1.7563 -4.78932 -1.75633 -4.6737 GPRESSAVG: 2563000 -40.9988 -38.1386 -7.37536 -37.4517 8.39741 -1.23856 -3.36598 -0.988525 -4.91971 TIMING: 2563000 CPU: 8173.72, 0.00315911/step Wall: 8173.72, 0.00315911/step, 2.13854 hours remaining, 241.250000 MB of memory in use. ENERGY: 2563000 3934.6243 20335.7173 14475.0255 237.2932 -202851.9443 2500.8718 0.0000 0.0000 52141.8509 -109226.5613 299.6599 -161368.4122 -108861.8456 299.5250 -26.3247 1.3008 762855.2946 -12.4537 -12.5070 PRESSURE: 2563200 -341.367 26.7767 256.568 26.7763 -43.8627 4.01433 256.568 4.01422 5.86034 GPRESSURE: 2563200 -247.449 19.1672 184.21 17.323 -50.6025 64.0903 241.72 -167.946 7.70931 PRESSAVG: 2563200 -1.87477 -29.8792 -10.8024 -29.8792 3.86939 -15.0964 -10.8024 -15.0965 22.8535 GPRESSAVG: 2563200 -2.15802 -28.0434 -10.0026 -28.1948 3.7068 -14.9603 -10.8375 -14.6251 23.4968 TIMING: 2563200 CPU: 8174.36, 0.00316499/step Wall: 8174.36, 0.00316499/step, 2.14235 hours remaining, 241.250000 MB of memory in use. ENERGY: 2563200 4025.8146 20513.4334 14520.2762 238.9874 -202860.9738 2575.9473 0.0000 0.0000 51976.7186 -109009.7961 298.7109 -160986.5148 -108666.5285 299.2453 -126.4565 -96.7807 763500.8449 8.2827 8.3485 PRESSURE: 2563400 -147.85 80.2328 -14.4567 80.233 178.7 -69.6082 -14.4564 -69.6095 -214.971 GPRESSURE: 2563400 -80.7228 50.2412 35.574 89.434 184.691 -22.2172 -60.0226 -91.9685 -204.033 PRESSAVG: 2563400 -9.6404 -21.771 9.27605 -21.7709 12.6927 25.5083 9.27611 25.5083 -15.988 GPRESSAVG: 2563400 -9.11466 -20.9842 10.21 -24.1318 14.1597 25.8797 8.63829 24.288 -17.5863 TIMING: 2563400 CPU: 8174.99, 0.00314497/step Wall: 8174.99, 0.00314497/step, 2.12862 hours remaining, 241.250000 MB of memory in use. ENERGY: 2563400 4008.1534 20407.4143 14600.3861 254.3043 -203534.8020 3093.2215 0.0000 0.0000 52095.3287 -109075.9937 299.3926 -161171.3225 -108727.5039 299.6383 -61.3737 -33.3550 764571.7393 -4.3119 -4.1804 PRESSURE: 2563600 268.659 68.6592 -199.555 68.6576 -55.869 -66.8399 -199.554 -66.8389 119.115 GPRESSURE: 2563600 323.259 153.192 -134.691 90.9331 -36.9577 -46.9754 -181.195 -25.6417 109.595 PRESSAVG: 2563600 25.9094 -38.3209 -29.0114 -38.3209 -8.73663 13.8986 -29.0113 13.8987 -5.63895 GPRESSAVG: 2563600 25.0753 -41.4555 -30.7855 -35.8509 -10.184 14.0373 -27.8017 12.6109 -3.8357 TIMING: 2563600 CPU: 8175.62, 0.00314681/step Wall: 8175.62, 0.00314681/step, 2.12969 hours remaining, 241.507812 MB of memory in use. ENERGY: 2563600 3941.2029 20563.1607 14513.7731 237.2055 -203494.0323 2864.4184 0.0000 0.0000 52093.5124 -109280.7594 299.3821 -161374.2718 -108927.0088 299.3179 110.6349 131.9655 761080.4960 3.8446 3.6852 PRESSURE: 2563800 37.043 -30.1469 30.278 -30.1462 -169.016 -240.337 30.2775 -240.336 186.732 GPRESSURE: 2563800 128.244 41.407 -11.7639 -117.418 -174.803 -138.162 -12.9085 -300.787 164.946 PRESSAVG: 2563800 63.3115 -1.05927 -32.3597 -1.05935 -68.4849 7.9706 -32.3598 7.97067 23.1365 GPRESSAVG: 2563800 63.3932 0.461378 -31.0212 -1.67176 -67.964 7.74519 -33.7037 9.77482 22.6252 TIMING: 2563800 CPU: 8176.24, 0.00313184/step Wall: 8176.24, 0.00313184/step, 2.11938 hours remaining, 241.507812 MB of memory in use. ENERGY: 2563800 3890.3309 20568.5565 14532.0374 242.7456 -202988.3141 2522.3774 0.0000 0.0000 51892.5940 -109339.6723 298.2275 -161232.2663 -108982.5371 299.3250 18.2533 39.4627 761970.7796 5.9877 6.0181 PRESSURE: 2564000 -55.5662 37.3763 -129.69 37.3763 -148.311 -66.9276 -129.69 -66.9273 -101.686 GPRESSURE: 2564000 -139.876 37.7047 -134.502 1.02698 -54.5316 53.7902 -71.2779 -128.594 -25.7389 PRESSAVG: 2564000 38.3827 -33.5217 24.9822 -33.5217 -65.7303 -47.2226 24.9822 -47.2225 -14.6058 GPRESSAVG: 2564000 39.0243 -33.8499 25.3077 -34.6583 -66.3605 -45.3627 26.2013 -47.9934 -14.1574 TIMING: 2564000 CPU: 8176.87, 0.00316476/step Wall: 8176.87, 0.00316476/step, 2.14148 hours remaining, 241.507812 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: 2564000 3978.8359 20422.4387 14513.4141 251.3636 -203061.8885 2602.6257 0.0000 0.0000 52221.1910 -109072.0194 300.1159 -161293.2105 -108698.7680 300.2401 -101.8542 -73.3822 763433.4879 -13.9845 -13.8312 PRESSURE: 2564200 217.301 142.595 -12.9044 142.595 -203.728 -57.1557 -12.9045 -57.1561 107.643 GPRESSURE: 2564200 205.482 211.658 -58.5421 207.232 -123.778 -88.5737 -128.234 -17.2058 120.95 PRESSAVG: 2564200 58.8373 -65.5268 -26.9874 -65.5268 -59.8936 -5.06669 -26.9875 -5.06672 -6.00354 GPRESSAVG: 2564200 57.7567 -65.9194 -28.779 -65.5949 -59.7141 -6.24035 -28.3785 -3.39139 -5.88389 TIMING: 2564200 CPU: 8177.51, 0.00316254/step Wall: 8177.51, 0.00316254/step, 2.13981 hours remaining, 241.507812 MB of memory in use. ENERGY: 2564200 4043.3073 20445.8741 14537.9154 242.6693 -203310.0964 2601.8758 0.0000 0.0000 52139.9071 -109298.5474 299.6488 -161438.4545 -108930.8770 299.5994 40.4054 67.5515 762221.9311 -2.3533 -2.6137 LDB: ============= START OF LOAD BALANCING ============== 8189.96 LDB: ============== END OF LOAD BALANCING =============== 8189.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8189.96 LDB: ============= START OF LOAD BALANCING ============== 8190.28 LDB: Largest compute 7034 load 0.034253 is 17.5% of average load 0.195358 LDB: Average compute 0.004376 is 2.2% of average load 0.195358 LDB: TIME 8190.28 LOAD: AVG 0.195358 MAX 0.215703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.523 MB LDB: TIME 8190.28 LOAD: AVG 0.195358 MAX 0.215703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.562 MB LDB: TIME 8190.28 LOAD: AVG 0.195358 MAX 0.215703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.562 MB LDB: ============== END OF LOAD BALANCING =============== 8190.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8190.29 PRESSURE: 2564400 430.624 -73.5843 -38.7663 -73.5842 288.898 -15.9702 -38.7666 -15.9703 315.52 GPRESSURE: 2564400 389.167 -49.5266 -89.8406 9.50997 386.171 -22.7581 -93.8369 -73.923 333.574 PRESSAVG: 2564400 -24.0666 -47.7456 2.54547 -47.7456 1.28922 -33.3931 2.54544 -33.3932 4.32611 GPRESSAVG: 2564400 -24.6699 -47.4233 4.04592 -47.4603 1.58173 -36.564 2.28257 -33.2623 4.76686 TIMING: 2564400 CPU: 8178.16, 0.00324358/step Wall: 8178.16, 0.00324358/step, 2.19446 hours remaining, 240.539062 MB of memory in use. ENERGY: 2564400 3996.5384 20492.8181 14485.5054 216.2980 -203960.0480 3055.3874 0.0000 0.0000 52392.4285 -109321.0722 301.1000 -161713.5007 -108949.9075 299.5101 345.0140 369.6375 760981.0109 -6.1504 -6.1071 PRESSURE: 2564600 -280.046 10.1743 0.894828 10.1743 5.54045 -188.694 0.894549 -188.694 135.731 GPRESSURE: 2564600 -250.84 -51.0515 15.9667 22.7347 12.4458 -118.245 -131.195 -117.298 197.002 PRESSAVG: 2564600 48.4234 -8.62688 26.6138 -8.62688 -33.7258 10.733 26.6138 10.7329 -5.22317 GPRESSAVG: 2564600 48.6343 -7.65448 24.5866 -8.41861 -34.1396 12.8625 28.0686 9.19149 -4.92915 TIMING: 2564600 CPU: 8178.79, 0.00315324/step Wall: 8178.79, 0.00315324/step, 2.13317 hours remaining, 240.742188 MB of memory in use. ENERGY: 2564600 3987.3545 20340.9030 14475.7700 255.3460 -203507.0326 2737.3896 0.0000 0.0000 52377.1063 -109333.1633 301.0119 -161710.2696 -108966.9301 300.1339 -46.2581 -13.7977 762219.2086 3.1581 3.1885 PRESSURE: 2564800 -132.286 174.397 -12.6943 174.398 -183.877 119.716 -12.6948 119.716 -261.242 GPRESSURE: 2564800 -152.202 186.006 93.0158 157.461 -82.1265 193.109 -53.8258 39.087 -255.3 PRESSAVG: 2564800 17.5727 -25.8848 -16.4037 -25.8848 -43.1668 1.85147 -16.4036 1.85158 17.1396 GPRESSAVG: 2564800 17.9517 -28.3093 -15.1139 -23.9454 -42.2599 2.92337 -15.9803 3.07917 15.7305 TIMING: 2564800 CPU: 8179.41, 0.00312679/step Wall: 8179.41, 0.00312679/step, 2.1151 hours remaining, 240.742188 MB of memory in use. ENERGY: 2564800 3995.0089 20573.3916 14454.3484 237.4405 -203369.2647 2523.4262 0.0000 0.0000 51919.2733 -109666.3757 298.3808 -161585.6490 -109303.3370 299.2737 -192.4684 -163.2098 762898.5460 -2.8181 -2.8593 PRESSURE: 2565000 8.00627 -166.625 186.671 -166.625 -168.639 115.732 186.671 115.731 16.5191 GPRESSURE: 2565000 10.8115 -176.797 233.67 -138.92 -128.627 5.99576 69.3765 191.081 31.8313 PRESSAVG: 2565000 18.085 -40.2145 20.1257 -40.2145 -36.4562 -9.95089 20.1257 -9.95091 11.8148 GPRESSAVG: 2565000 18.3965 -39.3415 20.5096 -42.5083 -36.6811 -11.586 18.6011 -9.13951 11.8842 TIMING: 2565000 CPU: 8180.04, 0.00312446/step Wall: 8180.04, 0.00312446/step, 2.11335 hours remaining, 240.742188 MB of memory in use. ENERGY: 2565000 4028.0480 20609.6825 14460.6689 256.7101 -203580.9634 2567.3007 0.0000 0.0000 51892.1924 -109766.3608 298.2251 -161658.5531 -109399.1829 298.8123 -48.0378 -28.6613 761727.5588 -2.1855 -2.1335 PRESSURE: 2565200 3.26591 -64.5178 -79.5242 -64.5183 -25.7527 -185.898 -79.5242 -185.898 -174.733 GPRESSURE: 2565200 148.621 59.4163 -180.038 -172.445 -49.3891 -210.934 -67.7203 -271.15 -212.969 PRESSAVG: 2565200 54.0266 -40.4545 -37.22 -40.4546 -54.8576 15.4771 -37.22 15.4771 22.9573 GPRESSAVG: 2565200 54.2065 -39.6749 -38.0061 -39.9178 -54.8619 18.3332 -35.6857 12.3343 22.8211 TIMING: 2565200 CPU: 8180.66, 0.00312933/step Wall: 8180.66, 0.00312933/step, 2.11647 hours remaining, 240.742188 MB of memory in use. ENERGY: 2565200 3957.4260 20639.2246 14419.5895 231.4765 -203600.6335 2774.3846 0.0000 0.0000 51765.5826 -109812.9496 297.4975 -161578.5322 -109462.0918 298.8326 -65.7399 -37.9121 761863.6434 7.3754 7.3885 PRESSURE: 2565400 -209.613 -21.7785 58.0079 -21.7784 177.541 19.9745 58.0083 19.9742 226.761 GPRESSURE: 2565400 -200.672 -14.5035 -25.5435 26.9773 159.549 67.6989 68.563 10.418 312.91 PRESSAVG: 2565400 39.1296 35.942 6.18788 35.942 -16.9104 -0.269175 6.18786 -0.269155 -5.09518 GPRESSAVG: 2565400 37.8619 32.454 6.45472 37.7971 -16.389 -2.19287 5.63323 1.96368 -3.9112 TIMING: 2565400 CPU: 8181.28, 0.00311292/step Wall: 8181.28, 0.00311292/step, 2.1052 hours remaining, 240.742188 MB of memory in use. ENERGY: 2565400 3911.9415 20607.3061 14504.1184 227.1413 -203961.5449 2885.0121 0.0000 0.0000 51889.3657 -109936.6598 298.2089 -161826.0255 -109579.9950 298.2250 64.8965 90.5957 761673.7543 5.7080 5.8539 PRESSURE: 2565600 358.89 2.82707 -198.451 2.82802 -439.801 -233.209 -198.45 -233.208 16.9981 GPRESSURE: 2565600 374.804 11.886 -206.225 -18.0035 -341.147 -205.718 -212.487 -82.6831 -10.5497 PRESSAVG: 2565600 43.1632 -13.8409 -33.3527 -13.8409 -49.9572 -1.42375 -33.3527 -1.42377 8.14146 GPRESSAVG: 2565600 43.0231 -10.0566 -32.3724 -16.7114 -49.7314 -1.40213 -34.459 -0.57588 8.09231 TIMING: 2565600 CPU: 8181.91, 0.00312653/step Wall: 8181.91, 0.00312653/step, 2.11423 hours remaining, 240.742188 MB of memory in use. ENERGY: 2565600 3970.1537 20436.2016 14436.3324 244.4274 -203790.4856 2827.4391 0.0000 0.0000 52048.5590 -109827.3724 299.1238 -161875.9314 -109476.8212 298.1841 -21.3045 7.7026 762579.6196 0.4492 0.4614 PRESSURE: 2565800 121.868 -71.9144 130.112 -71.9145 527.883 -293.387 130.112 -293.387 -19.5125 GPRESSURE: 2565800 119.786 -78.0098 148.382 -76.305 619.306 -259.983 110.456 -411.726 -24.5571 PRESSAVG: 2565800 24.354 -62.4671 5.24928 -62.467 -33.1634 -19.6358 5.24929 -19.6358 -8.81801 GPRESSAVG: 2565800 26.2053 -62.1611 5.6417 -64.185 -33.8378 -19.8109 8.20052 -21.54 -10.0482 TIMING: 2565800 CPU: 8182.54, 0.00313274/step Wall: 8182.54, 0.00313274/step, 2.11825 hours remaining, 240.742188 MB of memory in use. ENERGY: 2565800 3961.4946 20442.8923 14479.8133 232.0193 -203552.0486 2666.3949 0.0000 0.0000 52030.0187 -109739.4155 299.0172 -161769.4342 -109357.9522 298.7429 210.0795 238.1781 760615.9355 -5.8758 -5.8935 PRESSURE: 2566000 190.964 93.7647 -253.32 93.7644 -162.308 136.512 -253.32 136.512 48.0168 GPRESSURE: 2566000 270.505 125.824 -223.271 192.191 -140.21 106.474 -215.08 209.219 23.7321 PRESSAVG: 2566000 11.0819 9.88424 -106.439 9.88424 -28.2005 14.5917 -106.439 14.5916 18.4158 GPRESSAVG: 2566000 9.36299 8.15632 -106.06 13.2813 -27.6533 15.5171 -107.321 12.7984 19.8569 TIMING: 2566000 CPU: 8183.16, 0.00313772/step Wall: 8183.16, 0.00313772/step, 2.12145 hours remaining, 240.742188 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: 2566000 3885.1243 20547.4725 14515.7714 238.5638 -203358.8562 2286.6572 0.0000 0.0000 52145.2612 -109740.0057 299.6795 -161885.2669 -109380.9095 299.1602 25.5574 51.3422 762390.6248 0.4324 0.5222 PRESSURE: 2566200 -189.266 48.1429 -119.497 48.1425 311.968 230.591 -119.497 230.591 -313.363 GPRESSURE: 2566200 -89.2608 14.4471 -221.635 -12.6496 377.534 223.656 12.1803 145.913 -393.688 PRESSAVG: 2566200 51.1261 -27.2025 -34.8195 -27.2025 -30.0699 10.2719 -34.8194 10.2719 -7.24334 GPRESSAVG: 2566200 51.8729 -25.3754 -35.7908 -29.8236 -30.1546 8.88873 -34.9823 13.1445 -8.37511 TIMING: 2566200 CPU: 8183.79, 0.00314375/step Wall: 8183.79, 0.00314375/step, 2.12535 hours remaining, 240.742188 MB of memory in use. ENERGY: 2566200 3911.8076 20463.8541 14556.2445 253.1894 -203897.5352 2801.8263 0.0000 0.0000 51988.8445 -109921.7688 298.7806 -161910.6132 -109558.0554 298.5652 -63.5537 -35.1383 761694.3949 4.6043 4.4477 PRESSURE: 2566400 201.931 136.177 -46.1798 136.176 -74.4834 -13.0503 -46.1801 -13.051 -260.786 GPRESSURE: 2566400 262.895 88.0717 -41.832 158.666 -66.5581 -73.7691 -30.2648 -151.886 -260.166 PRESSAVG: 2566400 -3.44698 13.3245 14.3584 13.3245 -14.4035 8.24686 14.3584 8.24692 -8.7314 GPRESSAVG: 2566400 -3.49083 9.6017 15.2289 13.7374 -14.3862 9.32909 13.7962 6.89629 -8.4344 TIMING: 2566400 CPU: 8184.42, 0.0031479/step Wall: 8184.42, 0.0031479/step, 2.12798 hours remaining, 240.742188 MB of memory in use. ENERGY: 2566400 3959.8526 20444.0714 14465.2560 241.4745 -203592.5442 2575.6443 0.0000 0.0000 52181.2444 -109725.0010 299.8863 -161906.2455 -109359.7625 298.7814 -44.4460 -21.2762 762101.8572 -8.8606 -8.7705 PRESSURE: 2566600 -414.667 -141.953 -99.0703 -141.953 -265.794 -286.018 -99.0703 -286.018 -306.675 GPRESSURE: 2566600 -296.685 -131.537 -75.5396 -1.4967 -281.254 -163.774 -195.769 -233.479 -320.502 PRESSAVG: 2566600 44.1794 -21.699 -75.7438 -21.699 10.0412 16.0324 -75.7439 16.0324 11.1072 GPRESSAVG: 2566600 44.4453 -19.3342 -75.2332 -20.0618 8.51553 14.7623 -78.2275 17.007 12.4748 TIMING: 2566600 CPU: 8185.05, 0.00311683/step Wall: 8185.05, 0.00311683/step, 2.1068 hours remaining, 240.742188 MB of memory in use. ENERGY: 2566600 4016.5446 20480.8567 14491.6355 245.2177 -203438.6854 2592.9232 0.0000 0.0000 52087.1924 -109524.3154 299.3458 -161611.5078 -109167.0836 299.4223 -329.0452 -299.4801 761050.7136 21.7759 21.8119 PRESSURE: 2566800 317.078 91.033 90.9787 91.0328 -42.6329 -198.229 90.9789 -198.23 186.933 GPRESSURE: 2566800 291.979 129.017 8.97677 -10.5977 21.7591 -184.681 158.728 -247.192 230.281 PRESSAVG: 2566800 54.0443 -44.0475 -14.5953 -44.0475 -69.5792 -10.2544 -14.5953 -10.2544 9.16991 GPRESSAVG: 2566800 52.1859 -45.2961 -16.1043 -44.8053 -66.8693 -9.54584 -13.4913 -10.6857 7.57309 TIMING: 2566800 CPU: 8185.67, 0.00313334/step Wall: 8185.67, 0.00313334/step, 2.11779 hours remaining, 240.742188 MB of memory in use. ENERGY: 2566800 3940.0419 20667.4875 14510.5671 229.9230 -203246.6550 2631.3838 0.0000 0.0000 51915.5265 -109351.7252 298.3592 -161267.2516 -108984.6459 299.4331 153.7930 181.3394 761539.4638 -2.1217 -2.3701 PRESSURE: 2567000 -254.496 -161.821 -105.014 -161.82 -225.907 40.2356 -105.013 40.2361 -283.861 GPRESSURE: 2567000 -167.425 -99.5394 -95.9212 -155.36 -235.13 -25.347 -86.763 57.7091 -276.101 PRESSAVG: 2567000 30.5546 -16.2296 -10.7925 -16.2297 -39.0526 13.3148 -10.7925 13.3148 -15.0307 GPRESSAVG: 2567000 31.3142 -13.4633 -9.18855 -17.3382 -40.6424 14.1755 -10.5634 14.2124 -13.9596 TIMING: 2567000 CPU: 8186.3, 0.00312294/step Wall: 8186.3, 0.00312294/step, 2.11059 hours remaining, 240.742188 MB of memory in use. ENERGY: 2567000 3997.0538 20503.1603 14513.4493 242.5698 -203422.3375 2550.4269 0.0000 0.0000 52141.8154 -109473.8621 299.6597 -161615.6775 -109106.0546 299.6705 -254.7546 -226.2187 760364.9845 -7.8429 -7.7626 PRESSURE: 2567200 -335.219 36.3949 51.4175 36.3947 -399.46 10.6714 51.4164 10.6715 -177.416 GPRESSURE: 2567200 -259.934 132.719 10.5479 25.5602 -459.727 -52.8814 88.2727 22.4009 -130.135 PRESSAVG: 2567200 45.0034 -34.6948 24.472 -34.6948 -16.1465 -3.94332 24.472 -3.94334 24.5835 GPRESSAVG: 2567200 45.8697 -35.9098 24.0303 -33.6167 -16.6595 -5.52322 23.0859 -2.82713 23.49 TIMING: 2567200 CPU: 8186.93, 0.00314608/step Wall: 8186.93, 0.00314608/step, 2.12605 hours remaining, 240.742188 MB of memory in use. ENERGY: 2567200 4011.4211 20583.0882 14469.4140 243.9341 -203202.3527 2338.9059 0.0000 0.0000 51877.5584 -109678.0309 298.1410 -161555.5894 -109314.0650 299.3310 -304.0314 -283.2656 759848.7886 17.8135 17.5667 PRESSURE: 2567400 60.3533 162.237 -69.6445 162.237 188.575 -152.85 -69.6445 -152.851 8.93592 GPRESSURE: 2567400 134.884 126.667 -113.833 90.1822 205.15 -139.557 -6.3881 -131.122 5.07985 PRESSAVG: 2567400 24.8554 6.6404 -2.93481 6.64041 -28.6695 21.7301 -2.93473 21.7301 -16.1408 GPRESSAVG: 2567400 22.9867 6.22356 -1.93796 8.06263 -27.3952 21.3808 -1.75126 20.1919 -15.4283 TIMING: 2567400 CPU: 8187.55, 0.00312472/step Wall: 8187.55, 0.00312472/step, 2.11144 hours remaining, 240.742188 MB of memory in use. ENERGY: 2567400 3922.2107 20458.8234 14501.2747 262.1126 -203533.4872 2757.7630 0.0000 0.0000 51889.5190 -109741.7837 298.2098 -161631.3028 -109382.4332 298.4462 85.9548 115.0382 760288.5919 -6.6516 -6.6122 PRESSURE: 2567600 -204.667 48.807 14.8823 48.8074 76.2429 154.864 14.8817 154.864 271.811 GPRESSURE: 2567600 -108.372 38.2748 49.2504 14.9436 58.6256 87.6483 46.143 224.727 277.387 PRESSAVG: 2567600 69.1197 -12.852 25.6403 -12.852 -77.3259 16.4535 25.6402 16.4536 -9.13102 GPRESSAVG: 2567600 70.742 -13.1013 25.2 -14.767 -79.0108 16.3354 27.4215 16.7962 -8.66157 TIMING: 2567600 CPU: 8188.18, 0.00312349/step Wall: 8188.18, 0.00312349/step, 2.11043 hours remaining, 240.742188 MB of memory in use. ENERGY: 2567600 3941.1995 20498.7300 14457.8002 227.0786 -203659.2636 2861.0050 0.0000 0.0000 51962.1448 -109711.3054 298.6272 -161673.4502 -109349.9018 298.1266 47.7955 75.8802 759881.1356 -5.7791 -5.6435 PRESSURE: 2567800 158.316 -96.6777 -256.341 -96.6773 -104.942 -29.4078 -256.342 -29.4079 -289.826 GPRESSURE: 2567800 185.678 -73.8901 -312.65 -40.9291 -123.353 -76.2827 -22.729 -0.688187 -212.077 PRESSAVG: 2567800 36.1315 1.35403 1.89551 1.35401 -20.2141 27.9216 1.89552 27.9217 9.23491 GPRESSAVG: 2567800 35.6334 0.835957 -0.237341 1.35462 -19.0304 27.9974 1.34485 27.8361 8.65918 TIMING: 2567800 CPU: 8188.81, 0.00314895/step Wall: 8188.81, 0.00314895/step, 2.12747 hours remaining, 240.742188 MB of memory in use. ENERGY: 2567800 3935.5998 20461.4047 14499.6011 281.1451 -203551.2272 2653.3205 0.0000 0.0000 52105.0861 -109615.0698 299.4486 -161720.1559 -109256.1955 298.7644 -78.8172 -49.9173 760883.9979 8.3841 8.4207 PRESSURE: 2568000 -250.014 -62.6576 104.556 -62.6583 -475.665 231.497 104.556 231.497 35.7208 GPRESSURE: 2568000 -84.9703 -30.6206 170.931 -31.5865 -483.65 246.247 153.106 181.388 -20.2069 PRESSAVG: 2568000 51.7321 -3.57016 24.9533 -3.57013 -60.1272 41.7355 24.9532 41.7355 -0.740107 GPRESSAVG: 2568000 52.4554 -1.93623 26.6851 -4.08258 -59.956 43.3781 24.0188 40.4503 -1.40963 TIMING: 2568000 CPU: 8189.43, 0.00313044/step Wall: 8189.43, 0.00313044/step, 2.11479 hours remaining, 240.742188 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: 2568000 3919.8977 20549.4906 14519.3473 249.2015 -203016.3186 2106.5035 0.0000 0.0000 52168.6135 -109503.2645 299.8137 -161671.8780 -109145.8129 298.7634 -229.9861 -196.2759 761162.6754 -3.0451 -2.9701 PRESSURE: 2568200 -243.386 32.0768 -126.887 32.0757 -343.532 5.34984 -126.886 5.35039 83.9576 GPRESSURE: 2568200 -174.784 42.3981 -91.4876 53.7361 -229.623 72.2466 -111.974 58.4277 -22.2599 PRESSAVG: 2568200 14.0249 -8.52861 14.0845 -8.52852 -73.4019 40.2683 14.0845 40.2683 -12.2731 GPRESSAVG: 2568200 12.084 -9.2231 15.1399 -4.98512 -72.3345 40.1641 14.4072 42.829 -11.5301 TIMING: 2568200 CPU: 8190.06, 0.00311533/step Wall: 8190.06, 0.00311533/step, 2.10441 hours remaining, 240.742188 MB of memory in use. ENERGY: 2568200 3969.4644 20483.4864 14492.4026 243.7280 -202913.1432 2318.0439 0.0000 0.0000 52057.7498 -109348.2681 299.1766 -161406.0179 -108984.6065 299.3517 -167.6535 -142.2224 762627.1878 -23.8834 -23.9269 LDB: ============= START OF LOAD BALANCING ============== 8202.5 LDB: ============== END OF LOAD BALANCING =============== 8202.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8202.51 LDB: ============= START OF LOAD BALANCING ============== 8202.82 LDB: Largest compute 7070 load 0.031631 is 16.2% of average load 0.195458 LDB: Average compute 0.004374 is 2.2% of average load 0.195458 LDB: TIME 8202.83 LOAD: AVG 0.195458 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.355 MB LDB: TIME 8202.83 LOAD: AVG 0.195458 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: TIME 8202.83 LOAD: AVG 0.195458 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: ============== END OF LOAD BALANCING =============== 8202.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8202.83 PRESSURE: 2568400 -203.886 -206.118 -355.077 -206.118 -99.8976 15.0683 -355.077 15.0668 107.268 GPRESSURE: 2568400 -112.527 -178.805 -272.01 -315.352 -170.956 -27.2865 -327.02 34.1746 146.828 PRESSAVG: 2568400 54.9758 -18.2395 56.9609 -18.2394 -69.2688 14.0643 56.9608 14.0643 27.7925 GPRESSAVG: 2568400 55.9476 -18.9788 55.3986 -20.2465 -69.3276 14.3533 58.4129 11.3871 26.8945 TIMING: 2568400 CPU: 8190.7, 0.00320946/step Wall: 8190.7, 0.00320946/step, 2.16781 hours remaining, 241.320312 MB of memory in use. ENERGY: 2568400 4019.0922 20553.6326 14558.7705 250.6712 -202977.8500 2432.5001 0.0000 0.0000 51768.3850 -109394.7985 297.5136 -161163.1835 -109024.8121 299.7830 -65.5050 -45.5516 761234.2057 4.4998 4.5048 PRESSURE: 2568600 -465.878 -56.3643 -17.569 -56.3646 -241.534 28.9506 -17.5687 28.9511 -240.652 GPRESSURE: 2568600 -324.331 -96.5846 -84.4112 13.0221 -242.682 -68.1821 -57.9372 -51.9601 -276.565 PRESSAVG: 2568600 51.9509 -25.5032 -18.1138 -25.5032 -41.3942 42.6506 -18.1138 42.6506 -10.3675 GPRESSAVG: 2568600 52.6816 -23.8422 -17.711 -24.8123 -43.626 41.518 -18.4909 43.6165 -8.40646 TIMING: 2568600 CPU: 8191.33, 0.00314484/step Wall: 8191.33, 0.00314484/step, 2.12399 hours remaining, 241.523438 MB of memory in use. ENERGY: 2568600 4022.0940 20620.7172 14465.5808 230.4846 -203018.1638 2229.0624 0.0000 0.0000 51822.1640 -109628.0608 297.8227 -161450.2248 -109263.7776 299.2095 -316.0217 -281.1926 763328.0682 0.0630 0.2164 PRESSURE: 2568800 58.5291 -355.96 -41.499 -355.96 -345.227 158.744 -41.4992 158.745 -116.275 GPRESSURE: 2568800 30.9951 -291.819 -79.335 -374.137 -248.385 170.275 -125.357 72.5499 -105.598 PRESSAVG: 2568800 70.5621 -5.49104 23.3683 -5.49111 -4.31755 27.1861 23.3683 27.1861 -21.0022 GPRESSAVG: 2568800 71.5181 -7.02432 22.2978 -5.25139 -4.17436 28.8256 22.3676 23.9865 -22.1432 TIMING: 2568800 CPU: 8191.95, 0.00313017/step Wall: 8191.95, 0.00313017/step, 2.11391 hours remaining, 241.523438 MB of memory in use. ENERGY: 2568800 4065.8192 20418.9962 14476.4298 248.5781 -203068.6047 2264.0533 0.0000 0.0000 52139.1373 -109455.5908 299.6443 -161594.7280 -109088.2913 298.8719 -134.3243 -107.6624 760600.4619 15.0808 15.0669 PRESSURE: 2569000 161.04 4.29876 -106.455 4.2995 404.776 187.878 -106.455 187.877 -194.377 GPRESSURE: 2569000 85.7576 -31.7007 -53.4686 77.9454 482.863 187.427 -105.067 152.081 -114.781 PRESSAVG: 2569000 3.6416 -35.3492 -43.8925 -35.3491 12.1719 3.81588 -43.8925 3.81597 -11.5611 GPRESSAVG: 2569000 1.38235 -36.6057 -43.313 -37.1927 13.919 4.02744 -45.1088 6.20284 -11.2747 TIMING: 2569000 CPU: 8192.58, 0.00314357/step Wall: 8192.58, 0.00314357/step, 2.12278 hours remaining, 241.523438 MB of memory in use. ENERGY: 2569000 3999.9529 20391.1003 14532.7247 242.6476 -203326.3575 2430.1692 0.0000 0.0000 52018.5317 -109711.2310 298.9512 -161729.7628 -109337.6832 299.2200 123.8130 151.2800 759238.9016 1.4175 1.3422 PRESSURE: 2569200 -461.608 -133.557 -54.0968 -133.557 -278.684 58.1327 -54.0958 58.1316 -398.419 GPRESSURE: 2569200 -382.328 -18.2968 -40.2022 -172.297 -332.845 39.3501 -21.1585 55.6441 -323.533 PRESSAVG: 2569200 -6.24597 -22.0124 -25.5975 -22.0124 47.1037 6.74173 -25.5976 6.74179 0.487075 GPRESSAVG: 2569200 -3.65573 -19.2014 -25.8645 -21.6285 45.4162 5.45107 -22.4409 6.57998 0.262986 TIMING: 2569200 CPU: 8193.21, 0.00312686/step Wall: 8193.21, 0.00312686/step, 2.11133 hours remaining, 241.523438 MB of memory in use. ENERGY: 2569200 3990.5039 20375.6275 14533.1482 222.6763 -203519.3514 2495.4117 0.0000 0.0000 51985.9250 -109916.0589 298.7638 -161901.9839 -109549.2605 298.8226 -379.5703 -346.2356 762867.5342 13.7816 14.0078 PRESSURE: 2569400 412.724 48.9565 -112.817 48.9564 -177.187 -166.555 -112.816 -166.555 -186.172 GPRESSURE: 2569400 386.033 57.0109 -62.106 -45.5971 -125.989 -156.848 -150.854 -155.513 -123.674 PRESSAVG: 2569400 20.6032 -19.5066 51.2533 -19.5066 -14.7369 -44.0696 51.2533 -44.0696 7.96504 GPRESSAVG: 2569400 18.9873 -21.7656 51.547 -19.5975 -13.4381 -42.5637 50.0065 -45.844 8.4438 TIMING: 2569400 CPU: 8193.83, 0.00311473/step Wall: 8193.83, 0.00311472/step, 2.10296 hours remaining, 241.523438 MB of memory in use. ENERGY: 2569400 3963.5826 20517.4945 14505.6681 241.8272 -203125.1765 2401.5541 0.0000 0.0000 51709.7694 -109785.2807 297.1768 -161495.0501 -109426.6879 298.2775 16.4549 45.4571 760834.7336 4.6104 4.6643 PRESSURE: 2569600 28.075 -51.5126 37.0467 -51.5121 -52.2958 -100.352 37.0462 -100.351 -30.8895 GPRESSURE: 2569600 66.2185 97.7845 128.243 -92.6719 16.5923 -95.4617 40.3364 -114.545 -64.2339 PRESSAVG: 2569600 80.1813 -28.4291 -9.49531 -28.4291 -42.2526 37.0954 -9.49537 37.0955 3.27243 GPRESSAVG: 2569600 80.4712 -26.754 -9.45913 -28.9747 -41.2906 35.2047 -9.70334 39.7085 1.72197 TIMING: 2569600 CPU: 8194.45, 0.00312397/step Wall: 8194.45, 0.00312397/step, 2.10903 hours remaining, 241.523438 MB of memory in use. ENERGY: 2569600 3923.7546 20538.0365 14485.3057 258.3058 -203104.9331 2427.5839 0.0000 0.0000 51941.5633 -109530.3832 298.5089 -161471.9465 -109165.6102 298.3811 -18.3701 6.1923 763045.5222 13.7337 13.6342 PRESSURE: 2569800 144.835 10.4613 58.4121 10.461 127.42 6.60973 58.4127 6.61016 87.9818 GPRESSURE: 2569800 239.947 54.9654 166.869 -92.7167 134.196 -37.8153 -102.155 -81.1997 67.3796 PRESSAVG: 2569800 5.57423 -39.4995 53.1673 -39.4996 25.7227 20.0682 53.1672 20.0682 12.7539 GPRESSAVG: 2569800 6.47226 -39.761 53.0555 -37.9499 24.1303 20.5266 55.0229 19.0544 13.5951 TIMING: 2569800 CPU: 8195.08, 0.0031305/step Wall: 8195.08, 0.0031305/step, 2.11326 hours remaining, 241.523438 MB of memory in use. ENERGY: 2569800 3947.1975 20400.5041 14496.5716 242.4361 -203579.2798 2944.2422 0.0000 0.0000 52048.4817 -109499.8466 299.1233 -161548.3283 -109140.5117 298.7248 120.0787 147.1741 763035.4078 14.6836 14.7326 PRESSURE: 2570000 -144.762 26.8142 98.1971 26.8138 -197.865 -146.998 98.1973 -146.998 -62.1109 GPRESSURE: 2570000 -199.926 -100.196 164.869 2.07457 -82.6507 -123.751 -15.8457 -135.96 -29.6282 PRESSAVG: 2570000 -20.5319 -77.6285 -5.32986 -77.6285 -25.8704 2.79356 -5.32989 2.79356 -5.27062 GPRESSAVG: 2570000 -21.2553 -78.1352 -4.5073 -79.3436 -26.6153 2.39397 -7.51415 1.68596 -3.80553 TIMING: 2570000 CPU: 8195.71, 0.00314536/step Wall: 8195.71, 0.00314536/step, 2.12312 hours remaining, 241.523438 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: 2570000 3978.7487 20294.9594 14477.8084 242.6125 -203153.0719 2632.7578 0.0000 0.0000 51950.3502 -109575.8349 298.5594 -161526.1851 -109209.3515 298.6048 -134.9128 -104.0683 763458.9960 -17.2243 -17.2254 PRESSURE: 2570200 25.7059 -18.5675 19.706 -18.5673 55.2205 77.6085 19.7064 77.6093 224.436 GPRESSURE: 2570200 149.548 -35.6387 20.315 -22.1066 49.6582 42.3956 -40.1003 92.4549 205.285 PRESSAVG: 2570200 -4.70296 2.82126 46.5225 2.82122 -19.3597 -22.1536 46.5225 -22.1536 -22.2813 GPRESSAVG: 2570200 -4.68924 1.16439 47.5865 3.27094 -18.8607 -20.1398 47.4214 -21.8664 -23.0865 TIMING: 2570200 CPU: 8196.34, 0.00313589/step Wall: 8196.34, 0.00313589/step, 2.11655 hours remaining, 241.523438 MB of memory in use. ENERGY: 2570200 3837.6898 20598.6639 14538.5574 239.0384 -203603.3826 2922.5339 0.0000 0.0000 51877.1616 -109589.7377 298.1388 -161466.8992 -109236.1129 298.6744 101.7875 134.8306 762065.6389 -15.4480 -15.5455 PRESSURE: 2570400 -76.0321 6.47196 164.372 6.47264 -30.0304 -79.833 164.372 -79.833 -51.4622 GPRESSURE: 2570400 -22.874 -68.2309 205.392 -20.6405 -28.2935 -32.3592 209.147 55.5197 -10.2816 PRESSAVG: 2570400 30.0341 -65.2613 -29.8347 -65.2613 -34.6857 -0.746026 -29.8347 -0.746045 10.4625 GPRESSAVG: 2570400 29.4131 -64.2571 -30.4009 -66.9818 -34.1262 -2.74388 -29.5025 -0.449392 10.7146 TIMING: 2570400 CPU: 8196.96, 0.00313689/step Wall: 8196.96, 0.00313689/step, 2.11705 hours remaining, 241.523438 MB of memory in use. ENERGY: 2570400 3922.6823 20598.7458 14492.8051 255.4603 -203286.6832 2478.1181 0.0000 0.0000 52034.4490 -109504.4225 299.0427 -161538.8715 -109142.9869 299.0959 -52.5082 -20.4830 760501.5868 1.9370 2.0005 PRESSURE: 2570600 -45.631 -78.0151 173.341 -78.0141 70.0991 -69.5039 173.342 -69.5035 -101.97 GPRESSURE: 2570600 9.39178 14.9137 236.996 -42.2003 78.26 -42.0351 146.333 -159.029 -92.1965 PRESSAVG: 2570600 -0.0960104 -40.3954 22.6568 -40.3954 19.9047 29.0765 22.6568 29.0764 -13.9678 GPRESSAVG: 2570600 1.48113 -41.0529 22.5514 -38.36 18.5863 29.5557 21.0792 29.7587 -13.9204 TIMING: 2570600 CPU: 8197.59, 0.00313297/step Wall: 8197.59, 0.00313297/step, 2.11423 hours remaining, 241.523438 MB of memory in use. ENERGY: 2570600 3978.4381 20465.0100 14453.6133 252.5535 -203468.0751 2647.2134 0.0000 0.0000 52252.9271 -109418.3197 300.2983 -161671.2468 -109054.2498 299.2528 -25.8339 -1.5149 760508.6075 1.9470 2.0490 PRESSURE: 2570800 -317.214 235.377 -118.065 235.377 136.35 25.1116 -118.064 25.1114 112.859 GPRESSURE: 2570800 -196.587 125.512 -148.021 134.249 74.1168 53.1805 -14.5344 -25.8872 117.167 PRESSAVG: 2570800 -6.83623 -43.7626 23.2163 -43.7626 9.66457 -41.2784 23.2163 -41.2785 -10.8936 GPRESSAVG: 2570800 -6.85335 -44.3397 23.1032 -43.7141 10.371 -40.4673 25.4148 -42.8482 -11.4855 TIMING: 2570800 CPU: 8198.22, 0.00312976/step Wall: 8198.22, 0.00312976/step, 2.11189 hours remaining, 241.523438 MB of memory in use. ENERGY: 2570800 4031.0272 20479.7905 14459.7493 273.1679 -203022.3917 2468.4188 0.0000 0.0000 51992.4821 -109317.7558 298.8015 -161310.2379 -108952.5647 299.6398 -22.6684 -1.7680 762985.0650 -2.6884 -2.6559 PRESSURE: 2571000 -290.787 -80.0251 -250.003 -80.0243 158.022 -336.986 -250.003 -336.986 -206.184 GPRESSURE: 2571000 -169.725 57.1922 -201.779 -36.508 100.496 -236.647 -169.501 -267.619 -198.229 PRESSAVG: 2571000 -13.0321 -32.921 15.0394 -32.921 -19.4901 -40.0423 15.0393 -40.0423 16.4119 GPRESSAVG: 2571000 -12.8778 -30.6706 14.3969 -33.67 -19.2667 -41.6842 15.9965 -37.0377 16.4929 TIMING: 2571000 CPU: 8198.85, 0.00315751/step Wall: 8198.85, 0.00315751/step, 2.13044 hours remaining, 241.523438 MB of memory in use. ENERGY: 2571000 3979.0401 20615.2489 14464.0964 247.2501 -203108.6717 2562.7701 0.0000 0.0000 52149.9163 -109090.3499 299.7063 -161240.2662 -108717.8248 299.5883 -112.9829 -89.1526 761996.9150 -5.3701 -5.2172 PRESSURE: 2571200 143.829 87.7853 11.3035 87.7853 -97.2933 117.333 11.303 117.333 -121.78 GPRESSURE: 2571200 148.066 74.8675 -77.5061 71.9635 -99.4175 105.492 25.5584 60.2009 -57.8746 PRESSAVG: 2571200 14.6757 -48.841 -11.237 -48.841 -6.70528 8.87445 -11.237 8.87456 -3.11636 GPRESSAVG: 2571200 13.8399 -49.8909 -11.1809 -47.188 -6.68754 8.61183 -12.1005 9.68265 -2.69484 TIMING: 2571200 CPU: 8199.48, 0.00316898/step Wall: 8199.48, 0.00316898/step, 2.138 hours remaining, 241.523438 MB of memory in use. ENERGY: 2571200 3951.1177 20637.5967 14480.3548 257.8274 -203116.0227 2356.2565 0.0000 0.0000 52401.9649 -109030.9047 301.1548 -161432.8696 -108672.9817 300.5800 -25.0814 -3.0755 761652.0895 1.6180 1.4858 PRESSURE: 2571400 32.0914 9.74848 -9.11075 9.74775 -84.2835 -204.192 -9.11082 -204.192 232.664 GPRESSURE: 2571400 71.4126 -74.23 -83.6502 21.1621 -1.00021 -183.543 -53.136 -163.959 195.694 PRESSAVG: 2571400 40.3603 -43.1389 -25.2495 -43.1389 -45.9752 -5.44907 -25.2495 -5.44906 2.60149 GPRESSAVG: 2571400 39.6666 -42.6989 -24.3393 -46.4209 -44.5408 -4.61782 -26.2089 -8.76689 2.26399 TIMING: 2571400 CPU: 8200.12, 0.00318841/step Wall: 8200.12, 0.00318841/step, 2.15093 hours remaining, 241.523438 MB of memory in use. ENERGY: 2571400 3987.8935 20743.5641 14399.6082 221.5256 -203299.9950 2498.2643 0.0000 0.0000 52413.9585 -109035.1808 301.2237 -161449.1394 -108670.1738 300.2366 60.1572 88.7022 762387.2885 -1.0045 -0.8701 PRESSURE: 2571600 -65.7777 31.6359 194.493 31.6356 -173.957 -29.3051 194.492 -29.3041 -333.612 GPRESSURE: 2571600 -28.2951 43.7106 64.2406 59.5154 -109.391 -65.3407 304.121 -22.2061 -360.52 PRESSAVG: 2571600 62.4284 49.9343 -12.9098 49.9343 -80.9355 29.8434 -12.9098 29.8433 -15.1401 GPRESSAVG: 2571600 64.0476 52.2667 -13.7932 50.774 -82.103 30.5359 -13.5646 30.9158 -15.3455 TIMING: 2571600 CPU: 8200.75, 0.00315923/step Wall: 8200.75, 0.00315923/step, 2.13108 hours remaining, 241.523438 MB of memory in use. ENERGY: 2571600 4016.2009 20534.6731 14491.3382 257.3070 -203345.6878 2641.9232 0.0000 0.0000 52249.6827 -109154.5627 300.2796 -161404.2454 -108793.0029 300.0442 -191.1155 -166.0686 763740.7637 -11.2157 -11.1336 PRESSURE: 2571800 96.4761 -53.4986 -160.91 -53.4982 27.7737 -264.836 -160.91 -264.836 104.655 GPRESSURE: 2571800 133.981 -96.8806 -105.393 41.9519 49.8723 -283.046 -168.262 -285.138 128.985 PRESSAVG: 2571800 23.9927 -17.4844 22.7398 -17.4844 -47.8374 6.97514 22.7399 6.97506 -0.695517 GPRESSAVG: 2571800 22.961 -20.3707 23.3248 -15.1322 -47.2166 5.62074 24.3308 6.95236 -0.277417 TIMING: 2571800 CPU: 8201.38, 0.0031442/step Wall: 8201.38, 0.0031442/step, 2.12076 hours remaining, 241.523438 MB of memory in use. ENERGY: 2571800 3976.9942 20493.3271 14565.9004 263.4887 -203530.6385 2885.4719 0.0000 0.0000 52136.0252 -109209.4309 299.6265 -161345.4561 -108843.2216 299.4518 76.3017 104.2795 763718.1715 -8.1801 -8.1776 PRESSURE: 2572000 0.707071 20.907 -71.1342 20.9062 -162.913 -30.3258 -71.134 -30.3279 -409.291 GPRESSURE: 2572000 52.1792 15.4917 -126.051 31.3716 -86.5324 7.37032 -38.4143 -155.345 -429.391 PRESSAVG: 2572000 18.2181 1.6673 -26.4616 1.66733 -34.665 4.60084 -26.4616 4.60085 -16.7263 GPRESSAVG: 2572000 18.5271 3.14722 -26.5045 0.081558 -36.1638 6.56585 -28.1927 3.90817 -14.906 TIMING: 2572000 CPU: 8202.01, 0.00314764/step Wall: 8202.01, 0.00314764/step, 2.12291 hours remaining, 241.523438 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: 2572000 4091.3740 20402.8909 14477.7263 236.6912 -203221.2259 2503.8190 0.0000 0.0000 52147.0559 -109361.6686 299.6898 -161508.7245 -108998.8010 299.3097 -190.4989 -154.5814 763909.7527 -11.0577 -10.8476 PRESSURE: 2572200 88.1178 53.5298 160.029 53.5306 165.002 404.42 160.03 404.421 184.438 GPRESSURE: 2572200 5.0691 110.267 98.9931 82.5196 285.376 439.424 159.48 413.596 242.291 PRESSAVG: 2572200 -22.4932 -1.35151 -24.5998 -1.35155 46.7598 -33.2096 -24.5998 -33.2095 1.60533 GPRESSAVG: 2572200 -21.921 -0.345672 -26.2733 -1.50172 47.2163 -33.4597 -23.8363 -34.933 1.03744 TIMING: 2572200 CPU: 8202.64, 0.003139/step Wall: 8202.64, 0.003139/step, 2.11691 hours remaining, 241.523438 MB of memory in use. ENERGY: 2572200 3907.9090 20494.1077 14406.9958 266.4438 -203630.3557 2975.4071 0.0000 0.0000 52131.6716 -109447.8207 299.6014 -161579.4923 -109070.9973 299.3178 145.8527 177.5785 759954.6109 8.6240 8.7776 LDB: ============= START OF LOAD BALANCING ============== 8215.09 LDB: ============== END OF LOAD BALANCING =============== 8215.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8215.09 LDB: ============= START OF LOAD BALANCING ============== 8215.4 LDB: Largest compute 7073 load 0.032858 is 16.8% of average load 0.195482 LDB: Average compute 0.004374 is 2.2% of average load 0.195482 LDB: TIME 8215.41 LOAD: AVG 0.195482 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 8215.41 LOAD: AVG 0.195482 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 8215.41 LOAD: AVG 0.195482 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 8215.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8215.41 PRESSURE: 2572400 -49.4691 -15.2935 -192.375 -15.2939 -246.661 -64.7945 -192.375 -64.7947 -58.1495 GPRESSURE: 2572400 70.0362 -20.524 -176.654 55.9995 -309.86 -109.211 -161.091 -45.9787 -27.6369 PRESSAVG: 2572400 -43.1331 -64.2477 29.9149 -64.2476 31.0005 13.8734 29.9148 13.8733 -0.28645 GPRESSAVG: 2572400 -42.5209 -65.6008 30.9863 -61.5654 30.8596 12.2456 30.3467 16.9066 -0.67506 TIMING: 2572400 CPU: 8203.28, 0.00320451/step Wall: 8203.28, 0.00320451/step, 2.16091 hours remaining, 240.609375 MB of memory in use. ENERGY: 2572400 3981.5144 20484.5050 14465.1081 223.3229 -203455.6557 2560.2095 0.0000 0.0000 52169.8003 -109571.1955 299.8206 -161740.9958 -109205.8579 299.0534 -118.0934 -89.1535 761319.8588 -4.1397 -4.1121 PRESSURE: 2572600 -448.947 289.895 -67.9051 289.895 235.217 146.587 -67.9049 146.586 -284.593 GPRESSURE: 2572600 -279.17 315.5 31.2681 228.64 144.537 175.921 -21.959 106.736 -270.238 PRESSAVG: 2572600 33.5522 -4.54813 4.87493 -4.54812 -64.7684 -11.1088 4.87491 -11.1088 19.4201 GPRESSAVG: 2572600 32.9494 -3.58627 4.82478 -8.19784 -64.7006 -9.98956 5.58726 -12.946 20.2419 TIMING: 2572600 CPU: 8203.9, 0.00313149/step Wall: 8203.9, 0.00313149/step, 2.1115 hours remaining, 240.812500 MB of memory in use. ENERGY: 2572600 4006.3597 20472.1919 14435.6049 247.5485 -203438.0666 2475.3374 0.0000 0.0000 52158.4065 -109642.6177 299.7551 -161801.0242 -109289.9492 299.2165 -166.1074 -134.9570 760673.1759 -3.9320 -3.8365 PRESSURE: 2572800 -257.201 -33.9753 14.6042 -33.9751 144.433 -334.116 14.6048 -334.115 72.3678 GPRESSURE: 2572800 -231.623 -37.0664 33.9167 -8.65821 163.45 -433.513 17.6543 -297.617 119.538 PRESSAVG: 2572800 13.6443 -19.0875 26.7885 -19.0875 -5.5341 -22.3851 26.7885 -22.3851 -5.33345 GPRESSAVG: 2572800 13.8308 -18.8568 27.0604 -17.9551 -5.16197 -22.7776 27.0123 -21.249 -5.38569 TIMING: 2572800 CPU: 8204.53, 0.00312535/step Wall: 8204.53, 0.00312535/step, 2.10718 hours remaining, 240.812500 MB of memory in use. ENERGY: 2572800 3950.3701 20566.8421 14465.3782 251.6706 -203574.6318 2562.9551 0.0000 0.0000 52011.9252 -109765.4905 298.9132 -161777.4157 -109404.6796 298.6983 -13.4668 17.1216 761587.5176 0.9256 1.0944 PRESSURE: 2573000 -54.1458 264.98 127.022 264.979 -138.464 -204.588 127.023 -204.588 377.19 GPRESSURE: 2573000 -40.2153 155.194 13.1594 243.355 -66.0981 -165.827 99.5199 -126.775 389.103 PRESSAVG: 2573000 38.7231 -45.439 -17.4576 -45.439 -4.26695 -11.1354 -17.4576 -11.1355 -13.9999 GPRESSAVG: 2573000 39.0551 -47.1383 -17.7987 -44.78 -3.51976 -10.9027 -17.8873 -12.1935 -14.7208 TIMING: 2573000 CPU: 8205.15, 0.00312236/step Wall: 8205.15, 0.00312236/step, 2.10499 hours remaining, 240.812500 MB of memory in use. ENERGY: 2573000 3978.1486 20469.7506 14428.6679 216.3529 -203349.2746 2596.5587 0.0000 0.0000 52089.9902 -109569.8059 299.3619 -161659.7961 -109205.3143 298.6111 61.5267 94.2632 760766.2084 6.8188 6.9382 PRESSURE: 2573200 -264.442 30.6221 -157.223 30.6221 98.4671 -181.958 -157.222 -181.958 210.032 GPRESSURE: 2573200 -165.981 -145.272 -100.786 58.2344 115.718 -169.731 -122.744 -235.97 199.675 PRESSAVG: 2573200 -6.73121 1.37562 23.6365 1.37564 8.30698 -35.009 23.6366 -35.009 -2.92774 GPRESSAVG: 2573200 -6.37185 3.85989 24.5003 -0.554646 7.34086 -34.6153 23.2348 -34.6841 -3.00238 TIMING: 2573200 CPU: 8205.78, 0.00315088/step Wall: 8205.78, 0.00315088/step, 2.12404 hours remaining, 240.812500 MB of memory in use. ENERGY: 2573200 4065.4252 20575.2561 14540.9953 265.1816 -203054.6521 2500.9637 0.0000 0.0000 51894.0085 -109212.8218 298.2356 -161106.8303 -108856.7694 299.3107 14.6857 49.8040 762302.4429 -0.4507 -0.6778 PRESSURE: 2573400 277.273 45.8634 172.666 45.8622 185.134 -60.8095 172.667 -60.811 -364.177 GPRESSURE: 2573400 365.416 147.093 85.9755 -62.5773 101.206 -173.477 81.3945 -90.5534 -321.842 PRESSAVG: 2573400 -37.7866 -28.1036 26.9702 -28.1036 6.70219 -70.5911 26.9702 -70.5911 19.1288 GPRESSAVG: 2573400 -37.2931 -30.62 25.6309 -26.8026 5.76938 -70.8968 27.5028 -71.8558 18.9966 TIMING: 2573400 CPU: 8206.41, 0.00314909/step Wall: 8206.41, 0.00314909/step, 2.12266 hours remaining, 240.812500 MB of memory in use. ENERGY: 2573400 3927.5710 20477.7198 14478.4577 268.1520 -203107.1181 2320.4271 0.0000 0.0000 52405.8607 -109228.9300 301.1772 -161634.7906 -108860.8731 300.0979 32.7438 48.2598 761195.7603 -3.9852 -4.1757 PRESSURE: 2573600 10.715 52.4892 -49.7039 52.4888 -67.6 -116.896 -49.7035 -116.896 48.921 GPRESSURE: 2573600 -10.2131 149.069 60.3521 -1.91308 -41.8916 -186.342 -44.1426 -57.487 134.611 PRESSAVG: 2573600 -33.8577 5.7531 -25.0386 5.75311 3.55431 -87.1377 -25.0386 -87.1376 -10.3538 GPRESSAVG: 2573600 -34.6691 6.18215 -23.0179 4.2463 4.72691 -87.0435 -26.4348 -86.7211 -10.9762 TIMING: 2573600 CPU: 8207.04, 0.00315138/step Wall: 8207.04, 0.00315138/step, 2.12403 hours remaining, 240.812500 MB of memory in use. ENERGY: 2573600 3994.7354 20622.2338 14524.1969 262.3614 -203276.7469 2679.8603 0.0000 0.0000 52088.3972 -109104.9619 299.3527 -161193.3592 -108737.5069 299.7259 -2.6547 27.5021 761787.0213 -13.5524 -13.6395 PRESSURE: 2573800 269.629 72.7266 -231.074 72.7264 -67.0715 16.3986 -231.074 16.3985 -541.447 GPRESSURE: 2573800 216.159 84.9127 -265.544 174.315 41.6033 106.339 -221.028 -17.8489 -510.414 PRESSAVG: 2573800 -13.0935 -9.34035 0.876749 -9.34041 24.6142 -18.0748 0.876703 -18.0749 -14.537 GPRESSAVG: 2573800 -11.9766 -9.92083 -0.309209 -7.19253 23.392 -17.7125 2.7654 -17.1542 -14.6819 TIMING: 2573800 CPU: 8207.67, 0.00315311/step Wall: 8207.67, 0.00315311/step, 2.12502 hours remaining, 240.812500 MB of memory in use. ENERGY: 2573800 4066.6547 20454.3510 14523.4850 261.8543 -203412.4427 2621.2465 0.0000 0.0000 52514.9406 -108969.9106 301.8041 -161484.8511 -108595.8601 300.4252 -112.9633 -84.2174 760980.3840 -1.0054 -1.0888 PRESSURE: 2574000 -182.748 -168.613 -143.962 -168.612 -311.822 11.484 -143.961 11.4842 185.555 GPRESSURE: 2574000 -155.67 -102.73 -197.089 -192.13 -208.684 51.8643 85.4091 -142.029 147.587 PRESSAVG: 2574000 32.1136 -13.0615 -62.3118 -13.0616 -17.4656 10.0033 -62.3119 10.0034 -11.6941 GPRESSAVG: 2574000 31.9392 -10.5198 -62.0304 -13.3949 -17.521 8.14088 -62.5877 8.3807 -11.562 TIMING: 2574000 CPU: 8208.3, 0.00315112/step Wall: 8208.3, 0.00315112/step, 2.12351 hours remaining, 240.812500 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: 2574000 4026.3530 20653.7306 14529.5595 244.9777 -203557.5767 2709.5521 0.0000 0.0000 52313.2143 -109080.1895 300.6448 -161393.4038 -108713.5165 300.3249 -103.0052 -72.2559 761010.5851 0.9846 0.9521 PRESSURE: 2574200 94.7963 -195.76 -103.689 -195.76 -100.151 -31.6688 -103.689 -31.6691 -99.1595 GPRESSURE: 2574200 125.933 -111.92 -34.5449 -58.3857 -84.8131 -77.2771 -61.9458 15.9096 -73.508 PRESSAVG: 2574200 -2.67745 -40.6179 29.0374 -40.6178 43.1504 -32.185 29.0374 -32.185 17.958 GPRESSAVG: 2574200 -3.01454 -41.3944 29.3431 -39.4714 43.942 -32.3653 29.3238 -30.8766 17.406 TIMING: 2574200 CPU: 8208.93, 0.00313121/step Wall: 8208.93, 0.00313121/step, 2.10992 hours remaining, 240.812500 MB of memory in use. ENERGY: 2574200 4068.9291 20732.6535 14476.9859 248.0915 -203301.8261 2547.3622 0.0000 0.0000 52066.4923 -109161.3115 299.2268 -161227.8038 -108804.0801 300.3652 -34.8379 -10.7959 761987.7323 19.4770 19.4445 PRESSURE: 2574400 -209.846 -182.091 140.106 -182.091 -167.671 93.8927 140.106 93.8935 256.22 GPRESSURE: 2574400 -84.8713 -253.041 205.054 -162.015 -197.201 144.871 40.9807 131.799 235.212 PRESSAVG: 2574400 -18.9452 -38.3496 26.8034 -38.3497 35.8136 -61.0511 26.8034 -61.051 3.09954 GPRESSAVG: 2574400 -19.0477 -38.6892 28.041 -38.7943 33.9657 -60.1828 24.6277 -62.5287 4.94708 TIMING: 2574400 CPU: 8209.56, 0.00312623/step Wall: 8209.56, 0.00312623/step, 2.10639 hours remaining, 240.812500 MB of memory in use. ENERGY: 2574400 4006.1705 20718.7615 14498.0041 275.7966 -202970.7057 2379.4893 0.0000 0.0000 52065.1723 -109027.3114 299.2193 -161092.4837 -108654.9987 299.9236 -40.4325 -15.6198 762693.2921 6.6560 6.6217 PRESSURE: 2574600 -43.1273 100.73 -59.7712 100.73 194.682 -169.57 -59.7713 -169.57 193.243 GPRESSURE: 2574600 -1.9005 19.7574 -26.7658 -2.44839 251.799 -121.603 -37.2157 -159.45 176.709 PRESSAVG: 2574600 5.5128 -72.9649 42.4967 -72.9648 7.20224 -77.6239 42.4968 -77.6238 27.5831 GPRESSAVG: 2574600 6.14685 -73.9767 39.9613 -72.7051 8.22591 -76.3306 44.1004 -76.2365 25.7669 TIMING: 2574600 CPU: 8210.19, 0.00316316/step Wall: 8210.19, 0.00316316/step, 2.13109 hours remaining, 240.812500 MB of memory in use. ENERGY: 2574600 3945.4813 20759.8233 14521.6604 256.4128 -203428.9890 2727.3950 0.0000 0.0000 51958.6449 -109259.5714 298.6070 -161218.2163 -108902.6547 300.1797 114.9328 142.2025 761633.8918 13.4327 13.3799 PRESSURE: 2574800 -329.448 -138.054 -164.651 -138.055 -344.427 -144.216 -164.651 -144.215 -133.064 GPRESSURE: 2574800 -330.002 -52.7296 -290.995 -72.3026 -277.784 -90.4578 -186.743 -112.879 -98.6959 PRESSAVG: 2574800 21.0855 -20.5676 9.18419 -20.5676 -22.1427 -41.2471 9.18414 -41.2471 -15.3128 GPRESSAVG: 2574800 19.5466 -19.0711 10.1123 -22.621 -21.768 -41.1606 7.76874 -40.8573 -14.3334 TIMING: 2574800 CPU: 8210.82, 0.00315616/step Wall: 8210.82, 0.00315616/step, 2.1262 hours remaining, 240.812500 MB of memory in use. ENERGY: 2574800 4048.3930 20768.5093 14416.0256 264.0107 -202804.6855 2385.9896 0.0000 0.0000 51837.5512 -109084.2061 297.9111 -160921.7573 -108718.4158 299.7486 -268.9800 -235.4939 763120.9450 -5.4567 -5.5183 PRESSURE: 2575000 -66.7643 123.167 -181.316 123.167 -304.388 147.331 -181.315 147.329 -484.297 GPRESSURE: 2575000 -36.7584 96.7733 -190.345 72.7501 -288.355 97.3415 -125.068 134.204 -437.803 PRESSAVG: 2575000 5.83268 25.2808 -41.6331 25.2809 -32.6763 -86.3821 -41.6331 -86.3821 8.05935 GPRESSAVG: 2575000 6.39177 22.2834 -41.5846 28.3594 -33.4296 -87.764 -41.6267 -85.404 8.51921 TIMING: 2575000 CPU: 8211.45, 0.00314938/step Wall: 8211.45, 0.00314938/step, 2.12146 hours remaining, 240.812500 MB of memory in use. ENERGY: 2575000 4016.2902 20689.2804 14491.0309 252.2162 -203236.8840 2511.5606 0.0000 0.0000 52328.4112 -108948.0946 300.7321 -161276.5058 -108586.1776 300.2310 -285.1500 -254.3056 763530.5604 -6.2614 -6.1729 PRESSURE: 2575200 104.139 -188.157 60.9269 -188.156 60.4898 -111.24 60.927 -111.24 -211.434 GPRESSURE: 2575200 75.4998 -273.298 44.6775 -220.523 84.8754 -22.1532 68.8566 29.9394 -132.548 PRESSAVG: 2575200 25.1236 -32.8184 -30.2401 -32.8184 -20.6362 0.0450609 -30.2402 0.0450666 -3.40111 GPRESSAVG: 2575200 25.7606 -28.0349 -30.6061 -34.4088 -19.8093 2.04887 -28.5583 -1.14444 -4.6827 TIMING: 2575200 CPU: 8212.08, 0.00313766/step Wall: 8212.08, 0.00313766/step, 2.11339 hours remaining, 240.812500 MB of memory in use. ENERGY: 2575200 3971.8607 20586.5957 14528.8839 247.7493 -203033.8470 2655.8785 0.0000 0.0000 52175.1001 -108867.7789 299.8510 -161042.8789 -108501.7336 300.2861 -15.6016 9.2759 763832.6076 0.3621 0.4229 PRESSURE: 2575400 -49.6126 -32.4673 31.9521 -32.468 -155.212 -77.4614 31.9527 -77.4618 28.8282 GPRESSURE: 2575400 62.7667 27.6394 -95.9157 -33.6422 -170.545 -105.155 16.9897 -86.9316 0.841021 PRESSAVG: 2575400 41.4126 3.80117 -23.1541 3.8012 -57.2269 -9.26884 -23.1541 -9.26885 4.93578 GPRESSAVG: 2575400 40.5304 3.03671 -23.8097 3.70815 -57.1848 -9.62208 -21.6398 -9.93244 5.5184 TIMING: 2575400 CPU: 8212.71, 0.00314212/step Wall: 8212.71, 0.00314212/step, 2.11622 hours remaining, 240.812500 MB of memory in use. ENERGY: 2575400 3954.5278 20707.0809 14523.9324 237.1405 -203351.6023 2584.9270 0.0000 0.0000 52370.4183 -108973.5754 300.9735 -161343.9937 -108605.6060 300.2778 -58.6655 -35.6457 762827.1785 -3.6262 -3.7120 PRESSURE: 2575600 -109.967 -98.0695 -82.8613 -98.0692 -45.2321 -76.1143 -82.8613 -76.1148 150.578 GPRESSURE: 2575600 -17.5493 18.1964 -36.0177 -82.9984 -32.1588 -69.2141 -93.5628 -21.3111 132.394 PRESSAVG: 2575600 -22.8771 -24.2039 18.9167 -24.2039 12.672 -23.5068 18.9167 -23.5068 -10.6822 GPRESSAVG: 2575600 -22.4362 -24.3529 19.6009 -24.6418 12.4077 -24.3739 17.4175 -23.9425 -11.0375 TIMING: 2575600 CPU: 8213.33, 0.00314092/step Wall: 8213.33, 0.00314092/step, 2.11524 hours remaining, 240.812500 MB of memory in use. ENERGY: 2575600 3952.8439 20606.7568 14533.3836 243.5093 -203352.1213 2618.5745 0.0000 0.0000 52505.2942 -108891.7591 301.7486 -161397.0533 -108524.6027 300.5050 -1.5404 27.5618 761754.8127 -6.9624 -7.0220 PRESSURE: 2575800 -341.29 193.093 156.154 193.092 -401.693 35.184 156.154 35.1838 -519.277 GPRESSURE: 2575800 -230.436 99.9355 68.5278 163.675 -394.51 37.1746 199.539 -17.0534 -549.948 PRESSAVG: 2575800 -44.5131 -36.281 -10.0853 -36.2811 6.0858 39.0964 -10.0853 39.0964 19.6557 GPRESSAVG: 2575800 -45.1281 -37.5315 -10.8808 -36.3057 6.40818 39.1921 -11.0005 41.4465 20.1267 TIMING: 2575800 CPU: 8213.96, 0.00313057/step Wall: 8213.96, 0.00313056/step, 2.10809 hours remaining, 240.812500 MB of memory in use. ENERGY: 2575800 4065.0603 20496.6373 14458.8514 241.2122 -203147.8917 2436.9314 0.0000 0.0000 51994.0959 -109455.1033 298.8108 -161449.1991 -109087.2356 299.5792 -420.7532 -391.6313 762106.7502 -6.2572 -6.1977 PRESSURE: 2576000 -368.887 -80.3723 38.2069 -80.3724 11.2128 -106.279 38.207 -106.279 -62.3025 GPRESSURE: 2576000 -279.806 -103.157 -63.8965 -103.085 -5.93433 -85.5588 -19.4727 -16.2382 -41.456 PRESSAVG: 2576000 44.9763 -12.7709 23.6678 -12.7709 4.12841 -1.57663 23.6678 -1.57658 -19.8771 GPRESSAVG: 2576000 45.3231 -10.7892 22.2418 -12.1985 3.70699 -3.28811 26.4044 -1.25733 -20.1508 TIMING: 2576000 CPU: 8214.59, 0.00312445/step Wall: 8214.59, 0.00312445/step, 2.1038 hours remaining, 240.812500 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: 2576000 3991.7464 20503.5458 14452.8418 260.0227 -203188.9974 2497.4719 0.0000 0.0000 52223.6528 -109259.7160 300.1301 -161483.3688 -108892.3654 299.4866 -139.9921 -109.0655 762972.8331 9.7425 9.6264 PRESSURE: 2576200 -59.9714 57.0896 -128.755 57.0906 -173.934 77.1222 -128.756 77.1226 4.92135 GPRESSURE: 2576200 -18.9223 175.078 -67.0482 -97.5536 -120.194 100.519 -224.796 90.4655 -1.3712 PRESSAVG: 2576200 -41.4618 10.6191 -34.8917 10.6191 -4.38038 -21.1121 -34.8917 -21.1122 2.7953 GPRESSAVG: 2576200 -40.3329 8.23379 -32.7143 10.5915 -5.44178 -19.0852 -36.0689 -21.5401 3.40316 TIMING: 2576200 CPU: 8215.21, 0.0031435/step Wall: 8215.21, 0.0031435/step, 2.11645 hours remaining, 240.812500 MB of memory in use. ENERGY: 2576200 4047.2614 20604.8870 14512.1134 233.9924 -203134.5195 2731.9968 0.0000 0.0000 51829.2686 -109175.0000 297.8635 -161004.2686 -108821.9789 299.5568 -76.3281 -46.8293 763414.4119 -14.3490 -14.1238 LDB: ============= START OF LOAD BALANCING ============== 8227.66 LDB: ============== END OF LOAD BALANCING =============== 8227.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8227.67 LDB: ============= START OF LOAD BALANCING ============== 8227.98 LDB: Largest compute 7026 load 0.033186 is 17.0% of average load 0.195354 LDB: Average compute 0.004399 is 2.3% of average load 0.195354 LDB: TIME 8227.99 LOAD: AVG 0.195354 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 8227.99 LOAD: AVG 0.195354 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: TIME 8227.99 LOAD: AVG 0.195354 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: ============== END OF LOAD BALANCING =============== 8227.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8227.99 PRESSURE: 2576400 176.421 165.209 -219.011 165.209 -24.6324 33.9583 -219.011 33.958 -522.108 GPRESSURE: 2576400 206.889 97.8388 -170.359 206.165 -34.6283 13.2236 -237.529 48.6238 -471.606 PRESSAVG: 2576400 0.00191244 6.26545 13.2953 6.26545 14.0397 -65.1784 13.2953 -65.1785 17.1355 GPRESSAVG: 2576400 -1.24207 7.32533 13.0547 7.43247 14.1466 -65.4237 10.6588 -66.3366 17.7073 TIMING: 2576400 CPU: 8215.86, 0.00322444/step Wall: 8215.86, 0.00322444/step, 2.17076 hours remaining, 239.765625 MB of memory in use. ENERGY: 2576400 3987.2094 20427.6466 14413.0008 248.1335 -203202.6242 2625.6060 0.0000 0.0000 52267.5970 -109233.4309 300.3826 -161501.0279 -108865.2386 299.2363 -123.4398 -99.7816 763096.7178 10.3924 10.2039 PRESSURE: 2576600 257.992 83.4332 161.659 83.4327 159.284 -87.1028 161.658 -87.1023 221.406 GPRESSURE: 2576600 233.934 97.4633 89.1856 63.2688 78.5362 -9.62695 216.719 -112.443 385.16 PRESSAVG: 2576600 10.3522 61.8757 -53.4313 61.8757 0.0624008 -2.34217 -53.4313 -2.34214 -4.72993 GPRESSAVG: 2576600 11.1663 60.2755 -53.0889 60.101 -0.485958 -2.26645 -52.5072 -0.17559 -5.17917 TIMING: 2576600 CPU: 8216.49, 0.0031563/step Wall: 8216.49, 0.0031563/step, 2.12472 hours remaining, 239.765625 MB of memory in use. ENERGY: 2576600 3945.2632 20548.7295 14488.0471 232.3770 -203049.5790 2502.3422 0.0000 0.0000 51985.9985 -109346.8214 298.7642 -161332.8199 -108982.4077 299.1474 212.8941 232.5435 760257.7650 1.8949 1.8337 PRESSURE: 2576800 132.245 -139.686 -47.809 -139.686 86.9303 -115.439 -47.8096 -115.439 -2.23831 GPRESSURE: 2576800 182.84 -87.5969 -108.327 -150.319 168.678 -175.151 -131.456 -91.2163 -34.2425 PRESSAVG: 2576800 26.1192 -9.38009 -25.4785 -9.38009 9.27773 -39.2361 -25.4785 -39.2361 -1.42851 GPRESSAVG: 2576800 25.5964 -8.92603 -25.5931 -6.99916 10.5171 -40.1407 -25.273 -39.9318 -1.26941 TIMING: 2576800 CPU: 8217.12, 0.00315484/step Wall: 8217.12, 0.00315484/step, 2.12356 hours remaining, 239.765625 MB of memory in use. ENERGY: 2576800 3982.8241 20370.8578 14477.1055 248.4559 -203415.8455 2804.0007 0.0000 0.0000 52048.2633 -109484.3383 299.1221 -161532.6015 -109123.5004 299.0435 72.3123 105.7583 760648.1830 11.3228 11.6147 PRESSURE: 2577000 -23.9927 140.452 119.408 140.452 -243.367 -36.8186 119.409 -36.819 -253.185 GPRESSURE: 2577000 -23.8512 90.9102 215.075 99.1889 -231.065 -80.9706 174.899 -47.5121 -179.125 PRESSAVG: 2577000 24.6714 45.2499 11.2759 45.25 -27.9267 -14.2603 11.2759 -14.2603 14.119 GPRESSAVG: 2577000 25.0368 43.7077 12.0527 42.9243 -27.3522 -12.7834 12.9192 -15.8196 13.6532 TIMING: 2577000 CPU: 8217.75, 0.00314844/step Wall: 8217.75, 0.00314844/step, 2.11907 hours remaining, 239.765625 MB of memory in use. ENERGY: 2577000 3971.6507 20550.2251 14547.4836 253.3480 -203275.4893 2457.4609 0.0000 0.0000 52116.2063 -109379.1148 299.5126 -161495.3211 -109018.5476 299.0907 -173.5148 -144.6803 762754.5685 3.6212 3.7792 PRESSURE: 2577200 576.064 -189.393 30.7161 -189.393 316.838 60.5176 30.7165 60.5181 355.206 GPRESSURE: 2577200 596.807 -43.8868 -9.81103 -184.503 373.89 95.3468 -16.9008 81.8201 356.877 PRESSAVG: 2577200 -44.787 -37.9624 -46.1946 -37.9623 10.9643 -52.8952 -46.1946 -52.8952 10.1794 GPRESSAVG: 2577200 -44.8773 -34.9985 -45.6777 -37.3712 9.53118 -54.103 -48.3141 -51.3465 10.9659 TIMING: 2577200 CPU: 8218.38, 0.00313877/step Wall: 8218.38, 0.00313877/step, 2.11239 hours remaining, 239.765625 MB of memory in use. ENERGY: 2577200 3942.5921 20294.0830 14485.9912 246.6820 -203232.4260 2850.7998 0.0000 0.0000 52059.7419 -109352.5361 299.1881 -161412.2780 -108982.6792 299.1629 416.0361 442.5248 761705.6869 -7.8811 -8.1267 PRESSURE: 2577400 142.067 -183.652 -35.6961 -183.653 159.793 -205.954 -35.6967 -205.955 -128.884 GPRESSURE: 2577400 211.699 -130.806 -77.2422 -5.27489 217.073 -32.1405 -63.9868 -265.05 -181.979 PRESSAVG: 2577400 -33.7159 -46.9264 9.66257 -46.9264 50.4335 15.3427 9.66256 15.3426 -5.78227 GPRESSAVG: 2577400 -32.5888 -48.7623 9.83077 -45.5261 50.8812 16.0196 10.9996 13.7506 -7.06013 TIMING: 2577400 CPU: 8219.01, 0.00314058/step Wall: 8219.01, 0.00314058/step, 2.11343 hours remaining, 239.765625 MB of memory in use. ENERGY: 2577400 3990.1522 20604.6804 14478.5941 244.8597 -202959.1782 2509.6976 0.0000 0.0000 52097.2568 -109033.9375 299.4037 -161131.1944 -108674.9815 299.2399 57.6588 82.2642 763478.8579 3.6451 3.7441 PRESSURE: 2577600 192.389 58.3114 130.206 58.3117 76.0275 57.8336 130.205 57.8336 -412.158 GPRESSURE: 2577600 151.672 -75.939 92.1963 22.4535 128.937 75.5997 19.6428 -1.31263 -357.441 PRESSAVG: 2577600 -33.5835 -22.1399 -22.5732 -22.1399 -8.69336 -68.7472 -22.5732 -68.7472 5.42222 GPRESSAVG: 2577600 -35.267 -19.7512 -23.7878 -24.6106 -7.73156 -68.7505 -24.5477 -68.743 5.96221 TIMING: 2577600 CPU: 8219.64, 0.00316289/step Wall: 8219.64, 0.00316288/step, 2.12827 hours remaining, 239.765625 MB of memory in use. ENERGY: 2577600 4054.8862 20394.8189 14483.7878 252.2805 -202874.2298 2483.4343 0.0000 0.0000 52224.0389 -108980.9832 300.1323 -161205.0221 -108614.4338 299.6837 -47.9137 -25.6109 762138.2490 -12.2849 -12.3455 PRESSURE: 2577800 -301.101 -124.653 96.3291 -124.653 -109.686 31.359 96.3294 31.3584 -298.884 GPRESSURE: 2577800 -222.518 36.2795 49.2858 -169.821 -173.77 24.7508 87.3064 71.7611 -246.116 PRESSAVG: 2577800 76.2503 -0.539753 -13.605 -0.539729 -25.0328 3.36472 -13.605 3.36463 -12.1985 GPRESSAVG: 2577800 77.702 0.921962 -13.0112 1.05489 -26.3173 4.07579 -14.0118 3.34284 -12.1216 TIMING: 2577800 CPU: 8220.27, 0.00313698/step Wall: 8220.27, 0.00313699/step, 2.11067 hours remaining, 239.765625 MB of memory in use. ENERGY: 2577800 4021.9017 20775.5363 14506.7029 256.8687 -202892.3866 2383.9830 0.0000 0.0000 51858.6751 -109088.7188 298.0325 -160947.3939 -108738.0666 299.9867 -236.5569 -214.1348 762775.7913 13.0063 13.0877 PRESSURE: 2578000 277.379 -2.17738 203.823 -2.17731 -117.924 154.517 203.822 154.516 -143.86 GPRESSURE: 2578000 265.801 -11.2171 277.964 12.6483 -23.9132 113.861 241.294 259.725 -138.733 PRESSAVG: 2578000 -8.05736 0.733327 -25.1826 0.733312 17.0424 39.3347 -25.1826 39.3348 -10.0008 GPRESSAVG: 2578000 -9.75924 -2.81845 -25.5852 0.280569 19.1767 37.3311 -22.9097 43.1616 -9.90845 TIMING: 2578000 CPU: 8220.89, 0.00313794/step Wall: 8220.89, 0.00313794/step, 2.11113 hours remaining, 239.765625 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: 2578000 3991.5044 20501.9489 14592.0171 253.8090 -203295.7687 2790.7942 0.0000 0.0000 52028.7479 -109136.9471 299.0099 -161165.6950 -108777.1599 299.5800 5.1986 34.3851 762233.5734 -0.3386 -0.1637 PRESSURE: 2578200 -15.7807 165.567 61.5863 165.566 -80.1872 43.7308 61.5859 43.7317 144.165 GPRESSURE: 2578200 -37.9837 118.846 42.9918 16.7016 -46.8827 85.4531 61.5878 -79.6389 212.64 PRESSAVG: 2578200 37.3341 -35.0113 14.967 -35.0113 -0.720921 15.0475 14.9671 15.0475 30.0444 GPRESSAVG: 2578200 38.0929 -35.6146 14.3681 -33.745 -1.58935 14.8327 13.389 11.4335 29.6727 TIMING: 2578200 CPU: 8221.51, 0.00309865/step Wall: 8221.51, 0.00309865/step, 2.08453 hours remaining, 239.765625 MB of memory in use. ENERGY: 2578200 4001.2263 20426.7906 14540.4619 242.3632 -203034.5902 2468.0233 0.0000 0.0000 52003.3623 -109352.3627 298.8640 -161355.7249 -108993.9065 299.6945 16.0658 42.5912 762230.2566 22.2192 22.0587 PRESSURE: 2578400 325.304 -282.453 87.4858 -282.453 433.809 -46.2821 87.4856 -46.2828 742.567 GPRESSURE: 2578400 443.042 -223.222 123.258 -247.622 398.757 -67.4876 83.4921 102.423 746.161 PRESSAVG: 2578400 28.3129 -12.937 31.7277 -12.937 -2.42895 -31.191 31.7277 -31.191 -0.742733 GPRESSAVG: 2578400 29.0568 -12.2059 31.4573 -12.5884 -3.33944 -30.7317 33.7467 -31.0489 -0.795326 TIMING: 2578400 CPU: 8222.14, 0.00312914/step Wall: 8222.14, 0.00312914/step, 2.10487 hours remaining, 239.765625 MB of memory in use. ENERGY: 2578400 3983.5204 20499.9651 14527.2640 253.3071 -203576.3981 2998.7703 0.0000 0.0000 52043.5084 -109270.0628 299.0948 -161313.5712 -108915.4285 299.3302 500.5599 529.3201 761781.2645 8.3804 8.3073 PRESSURE: 2578600 252.994 -80.347 -138.808 -80.3472 54.4682 -12.9885 -138.808 -12.9878 363.453 GPRESSURE: 2578600 393.306 27.6801 -58.9461 -121.248 87.8184 -33.3971 -286.212 -69.6318 300.119 PRESSAVG: 2578600 14.6736 -57.3909 30.4035 -57.3908 -12.347 -42.3336 30.4035 -42.3336 15.3117 GPRESSAVG: 2578600 14.3005 -56.3585 32.9453 -59.698 -11.8558 -41.6985 28.9982 -41.4915 14.9727 TIMING: 2578600 CPU: 8222.76, 0.00310814/step Wall: 8222.76, 0.00310814/step, 2.09057 hours remaining, 239.765625 MB of memory in use. ENERGY: 2578600 4009.4045 20356.5395 14612.3937 261.3656 -203254.8748 2835.5035 0.0000 0.0000 51969.1835 -109210.4846 298.6676 -161179.6681 -108863.0201 299.0097 223.6382 260.4144 762160.5107 5.8795 5.8058 PRESSURE: 2578800 225.264 -47.0208 -17.1691 -47.0202 228.199 44.0127 -17.1688 44.0132 155.186 GPRESSURE: 2578800 241.096 15.3162 65.3663 -144.275 182.834 21.5799 46.4887 118.321 263.772 PRESSAVG: 2578800 43.2243 -14.1239 18.3363 -14.1239 -42.4248 39.3713 18.3363 39.3714 -19.7707 GPRESSAVG: 2578800 44.189 -13.5612 17.2443 -13.9967 -43.0719 39.6457 18.2101 38.6216 -20.5917 TIMING: 2578800 CPU: 8223.39, 0.0031361/step Wall: 8223.39, 0.0031361/step, 2.1092 hours remaining, 239.765625 MB of memory in use. ENERGY: 2578800 3909.0540 20523.7248 14597.8035 242.8182 -203330.0131 2782.1488 0.0000 0.0000 52177.1536 -109097.3102 299.8628 -161274.4638 -108733.0965 299.6940 202.8832 229.2337 761401.6712 -6.3237 -6.4915 PRESSURE: 2579000 -94.8532 -325.085 39.2422 -325.086 -217.049 153.043 39.2421 153.043 -154.296 GPRESSURE: 2579000 -162.545 -282.864 -33.626 -209.07 -68.303 46.8382 35.1835 206.154 -146.21 PRESSAVG: 2579000 30.0663 4.235 -2.32142 4.23497 -4.4343 -5.63051 -2.32141 -5.63053 34.8518 GPRESSAVG: 2579000 28.1923 2.70316 -3.92254 5.6157 -3.39919 -6.17868 -1.34677 -4.80989 35.9335 TIMING: 2579000 CPU: 8224.01, 0.00311889/step Wall: 8224.01, 0.00311889/step, 2.09745 hours remaining, 239.765625 MB of memory in use. ENERGY: 2579000 4050.6185 20478.5023 14570.3316 268.0963 -203103.6784 2499.1718 0.0000 0.0000 52307.9760 -108928.9818 300.6147 -161236.9579 -108555.2033 300.2176 -155.3997 -125.6860 762262.9249 20.1613 20.2422 PRESSURE: 2579200 -46.5797 79.5625 -222.387 79.562 -168.533 6.04846 -222.387 6.04932 -119.64 GPRESSURE: 2579200 -46.8127 52.5241 -211.733 49.6896 -80.6566 13.5094 -113.411 103.074 -126.251 PRESSAVG: 2579200 24.5068 -56.4967 -0.510841 -56.4967 -12.7482 6.04284 -0.510847 6.04282 -6.8939 GPRESSAVG: 2579200 24.2224 -55.6134 0.102041 -55.9915 -14.1003 6.19692 -1.04569 4.54828 -5.14293 TIMING: 2579200 CPU: 8224.64, 0.00312194/step Wall: 8224.64, 0.00312194/step, 2.09933 hours remaining, 239.765625 MB of memory in use. ENERGY: 2579200 4026.0167 20506.8132 14550.4328 249.2183 -203101.9512 2618.5085 0.0000 0.0000 52293.8832 -108857.0785 300.5337 -161150.9617 -108483.8138 300.5512 -111.5844 -84.5733 762737.9013 1.6216 1.6597 PRESSURE: 2579400 -225.246 -43.0577 -170.764 -43.0569 23.821 -43.7025 -170.764 -43.703 -162.312 GPRESSURE: 2579400 -184.265 -11.9613 -183.369 -149.532 23.5548 -42.2597 -96.347 144.256 -122.548 PRESSAVG: 2579400 30.0424 -45.8878 17.6069 -45.8879 22.3513 -10.4578 17.6069 -10.4578 0.261543 GPRESSAVG: 2579400 30.8495 -46.2993 16.1311 -47.7587 24.8054 -11.0112 19.9261 -9.07946 -2.7699 TIMING: 2579400 CPU: 8225.26, 0.0031384/step Wall: 8225.26, 0.0031384/step, 2.11023 hours remaining, 239.765625 MB of memory in use. ENERGY: 2579400 4047.1148 20524.7997 14523.4880 245.6981 -202749.2834 2259.4474 0.0000 0.0000 52562.6060 -108586.1292 302.0780 -161148.7353 -108222.9457 300.4893 -121.2458 -94.4193 762997.2367 17.5518 17.6283 PRESSURE: 2579600 -196.778 29.8882 98.5306 29.8879 -69.5413 -105.413 98.5304 -105.413 162.974 GPRESSURE: 2579600 -121.186 56.8921 38.7294 124.205 -48.2893 -147.546 62.0794 -176.261 155.938 PRESSAVG: 2579600 3.1394 -48.8179 4.3175 -48.8179 -6.16548 20.6179 4.3175 20.6179 18.281 GPRESSAVG: 2579600 3.61653 -48.529 5.67797 -46.9649 -8.44655 21.1388 1.86039 18.2928 19.9698 TIMING: 2579600 CPU: 8225.89, 0.00314006/step Wall: 8225.89, 0.00314006/step, 2.11117 hours remaining, 239.765625 MB of memory in use. ENERGY: 2579600 4040.0640 20614.1432 14547.3333 242.0451 -203137.7238 2686.8281 0.0000 0.0000 52217.2732 -108790.0367 300.0934 -161007.3099 -108428.0988 300.8649 -34.4485 -4.5125 761920.8674 5.0850 5.0466 PRESSURE: 2579800 90.0124 -48.7907 6.44121 -48.7909 -278.074 -73.7079 6.44125 -73.709 -82.09 GPRESSURE: 2579800 77.2795 -17.0829 9.02117 -87.6842 -220.966 -63.0497 55.738 -15.7311 -54.4284 PRESSAVG: 2579800 33.0638 -15.4459 50.8359 -15.4459 -38.3993 -9.46398 50.8359 -9.46404 6.99253 GPRESSAVG: 2579800 33.43 -15.2784 50.9856 -18.0371 -38.7603 -10.4889 51.684 -7.83368 6.91276 TIMING: 2579800 CPU: 8226.51, 0.00311159/step Wall: 8226.51, 0.00311159/step, 2.09185 hours remaining, 239.765625 MB of memory in use. ENERGY: 2579800 3974.8558 20566.3077 14535.2188 243.8122 -203299.9947 2711.2117 0.0000 0.0000 52211.6548 -109056.9337 300.0611 -161268.5885 -108698.5223 300.0767 -90.0504 -66.0382 762601.9279 0.5523 0.5275 PRESSURE: 2580000 -381.501 -18.7645 -257.098 -18.7649 -389.607 -23.9169 -257.098 -23.9161 -412.48 GPRESSURE: 2580000 -381.513 -124.626 -226.107 -16.531 -340.605 -59.8808 -219.428 -111.824 -361.413 PRESSAVG: 2580000 59.4335 -11.4984 -28.3649 -11.4984 -64.7955 -36.394 -28.365 -36.3941 -16.6459 GPRESSAVG: 2580000 58.6294 -13.3927 -28.8927 -10.804 -63.1209 -35.8272 -28.1936 -37.9543 -16.877 TIMING: 2580000 CPU: 8227.14, 0.00311082/step Wall: 8227.14, 0.00311082/step, 2.09117 hours remaining, 239.765625 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: 2580000 4036.7252 20591.5620 14522.9895 249.3363 -202740.5637 2396.4029 0.0000 0.0000 51836.5265 -109107.0214 297.9052 -160943.5479 -108755.4454 299.9501 -394.5293 -361.1772 762810.5560 -7.3360 -7.1228 PRESSURE: 2580200 89.9301 -165.731 82.239 -165.731 210.595 34.11 82.2389 34.1115 70.4347 GPRESSURE: 2580200 129.776 58.2449 27.9266 -33.0676 221.536 65.4909 17.0364 79.4749 97.782 PRESSAVG: 2580200 -0.823412 -37.5706 40.8974 -37.5705 2.572 40.2439 40.8974 40.2439 2.42477 GPRESSAVG: 2580200 -0.583379 -34.9123 40.0945 -34.819 1.80586 42.029 40.8307 40.5705 3.30296 TIMING: 2580200 CPU: 8227.76, 0.00312401/step Wall: 8227.76, 0.00312401/step, 2.09985 hours remaining, 239.765625 MB of memory in use. ENERGY: 2580200 3950.7400 20456.6288 14581.1547 234.7193 -203068.2303 2737.6227 0.0000 0.0000 52024.6519 -109082.7128 298.9864 -161107.3647 -108722.4252 299.7962 123.6533 149.6980 762020.3311 1.3911 1.5085 LDB: ============= START OF LOAD BALANCING ============== 8240.21 LDB: ============== END OF LOAD BALANCING =============== 8240.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8240.21 LDB: ============= START OF LOAD BALANCING ============== 8240.52 LDB: Largest compute 7073 load 0.033188 is 17.0% of average load 0.195331 LDB: Average compute 0.004393 is 2.2% of average load 0.195331 LDB: TIME 8240.53 LOAD: AVG 0.195331 MAX 0.214004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.742 MB LDB: TIME 8240.53 LOAD: AVG 0.195331 MAX 0.214004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: TIME 8240.53 LOAD: AVG 0.195331 MAX 0.214004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.742 MB LDB: ============== END OF LOAD BALANCING =============== 8240.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8240.53 PRESSURE: 2580400 -216.153 -287.88 78.9762 -287.88 -140.683 97.2547 78.9756 97.2542 -63.0562 GPRESSURE: 2580400 -153.222 -157.425 48.4195 -318.944 -93.4259 142.369 191.908 62.3995 -89.141 PRESSAVG: 2580400 0.919808 -55.0376 27.7771 -55.0376 21.8336 91.5241 27.7771 91.5241 -23.5714 GPRESSAVG: 2580400 0.52136 -53.5288 29.5659 -56.2779 22.3058 90.522 27.7261 91.6968 -23.9751 TIMING: 2580400 CPU: 8228.4, 0.00317395/step Wall: 8228.4, 0.00317395/step, 2.13325 hours remaining, 239.253906 MB of memory in use. ENERGY: 2580400 3936.7133 20334.5472 14550.1744 248.8701 -202776.4336 2583.2307 0.0000 0.0000 52001.0090 -109121.8890 298.8505 -161122.8979 -108752.7431 299.2598 -139.9641 -111.9295 764173.9820 -0.2726 -0.3826 PRESSURE: 2580600 -7.4651 384.234 -341.532 384.234 -227.108 -114.72 -341.532 -114.72 78.5098 GPRESSURE: 2580600 -16.922 239.472 -302.357 440.732 -128.999 -22.6939 -264.839 -218.004 70.6308 PRESSAVG: 2580600 -70.6241 -7.78843 -16.7241 -7.78843 32.5353 -23.6964 -16.7241 -23.6964 0.479439 GPRESSAVG: 2580600 -69.402 -10.0891 -15.8004 -9.91321 31.8949 -24.1785 -16.0335 -23.9792 0.553142 TIMING: 2580600 CPU: 8229.02, 0.003122/step Wall: 8229.02, 0.003122/step, 2.09816 hours remaining, 239.253906 MB of memory in use. ENERGY: 2580600 3955.9544 20432.2321 14573.5867 252.6532 -202850.9595 2371.5268 0.0000 0.0000 51896.0167 -109368.9896 298.2471 -161265.0063 -109001.2916 299.1114 -52.0212 -25.0968 762349.7353 -12.5364 -12.3180 PRESSURE: 2580800 35.5581 -44.1442 -266.319 -44.1436 -334.482 44.3196 -266.319 44.3193 405.693 GPRESSURE: 2580800 31.2736 -49.1023 -230.434 -75.4128 -243.808 -24.0255 -235.736 143.838 408.959 PRESSAVG: 2580800 50.3131 0.820421 -3.55863 0.820454 -66.5321 7.15308 -3.55858 7.1531 -1.14035 GPRESSAVG: 2580800 48.2262 3.56495 -5.47713 1.22911 -65.021 6.98591 -4.86723 7.52677 -1.04997 TIMING: 2580800 CPU: 8229.64, 0.00310177/step Wall: 8229.64, 0.00310177/step, 2.08439 hours remaining, 239.253906 MB of memory in use. ENERGY: 2580800 3908.8588 20471.8095 14484.5929 261.3354 -203410.8588 2879.1127 0.0000 0.0000 51904.6468 -109500.5027 298.2967 -161405.1495 -109137.8110 298.5437 35.5899 65.4749 761528.0569 -5.7865 -5.9482 PRESSURE: 2581000 157.649 -223.787 126.403 -223.786 -165.676 70.256 126.404 70.2555 167.15 GPRESSURE: 2581000 160.767 -235.84 119.606 -156.213 -115.259 17.0161 152.544 78.2219 186.062 PRESSAVG: 2581000 12.2642 -12.4743 -23.0005 -12.4742 -13.0702 -0.757477 -23.0006 -0.757636 13.8496 GPRESSAVG: 2581000 12.3579 -13.2342 -23.2334 -10.3144 -12.7092 -0.122655 -21.9353 -2.04891 13.7034 TIMING: 2581000 CPU: 8230.27, 0.00312234/step Wall: 8230.27, 0.00312234/step, 2.09804 hours remaining, 239.253906 MB of memory in use. ENERGY: 2581000 3870.8193 20577.5014 14470.5503 254.8627 -203010.3245 2528.8690 0.0000 0.0000 51896.5871 -109411.1347 298.2504 -161307.7218 -109050.8844 298.1940 53.0408 77.1898 762402.0388 4.3479 4.4507 PRESSURE: 2581200 63.282 3.11305 126.806 3.11295 -321.86 -179.072 126.806 -179.072 269.838 GPRESSURE: 2581200 99.9086 -73.3582 36.069 -45.6373 -324.901 -272.846 35.3579 -190.356 311.531 PRESSAVG: 2581200 -8.22255 -66.381 17.9818 -66.3811 -20.3545 -2.91519 17.9817 -2.91514 26.8091 GPRESSAVG: 2581200 -8.29904 -68.7491 20.313 -65.8952 -20.8069 -2.80319 15.2817 -1.82935 26.9015 TIMING: 2581200 CPU: 8230.89, 0.00312984/step Wall: 8230.89, 0.00312984/step, 2.10291 hours remaining, 239.253906 MB of memory in use. ENERGY: 2581200 4026.4919 20600.0040 14477.4763 233.1638 -203614.6851 2781.6113 0.0000 0.0000 52278.2209 -109217.7168 300.4437 -161495.9377 -108843.7480 298.9472 3.7531 28.8463 762496.1425 -0.5893 -0.7348 PRESSURE: 2581400 20.5819 20.4125 -129.302 20.4119 -237.783 -77.5902 -129.304 -77.5906 61.5198 GPRESSURE: 2581400 115.241 51.0815 -141.624 49.4257 -225.758 -102.881 -18.0564 -68.079 40.7878 PRESSAVG: 2581400 12.3299 -55.187 2.56571 -55.1869 38.7166 -31.2944 2.56572 -31.2944 -10.5631 GPRESSAVG: 2581400 12.5367 -51.9879 0.543039 -56.0118 38.1939 -31.6373 4.16325 -30.3559 -9.85515 TIMING: 2581400 CPU: 8231.51, 0.00310219/step Wall: 8231.51, 0.00310219/step, 2.08415 hours remaining, 239.253906 MB of memory in use. ENERGY: 2581400 4026.0343 20528.5905 14515.8775 269.9920 -203209.6031 2341.3727 0.0000 0.0000 52280.6514 -109247.0846 300.4576 -161527.7360 -108894.4679 299.8434 -51.8937 -23.2431 760990.0687 13.4945 13.6251 PRESSURE: 2581600 -172.483 -76.3299 -155.058 -76.33 -251.604 -20.2696 -155.058 -20.2698 132.209 GPRESSURE: 2581600 -98.9382 6.57762 -169.908 7.03029 -277.374 -40.1567 -207.054 -42.7145 166.026 PRESSAVG: 2581600 16.3285 -25.4411 -19.991 -25.4411 -12.6755 -86.6933 -19.991 -86.6934 -5.95855 GPRESSAVG: 2581600 16.7659 -25.3574 -19.1875 -24.1035 -12.0504 -85.6958 -20.3343 -88.5454 -6.74024 TIMING: 2581600 CPU: 8232.13, 0.00311237/step Wall: 8232.13, 0.00311237/step, 2.09082 hours remaining, 239.253906 MB of memory in use. ENERGY: 2581600 4006.2988 20497.6776 14545.9796 264.5339 -203006.9627 2559.0691 0.0000 0.0000 52096.4004 -109037.0033 299.3987 -161133.4037 -108675.8445 299.3222 -97.2926 -70.0953 763624.0318 -0.7685 -0.6749 PRESSURE: 2581800 -443.554 -179.378 -124.878 -179.378 -615.348 13.2114 -124.878 13.2121 82.2792 GPRESSURE: 2581800 -500.659 -126.004 -157.313 -141.471 -554.943 98.8146 -211.766 -10.9006 167.994 PRESSAVG: 2581800 -23.208 -1.39511 33.5642 -1.39509 11.2585 14.3194 33.5641 14.3194 0.624273 GPRESSAVG: 2581800 -22.1539 -1.3164 32.1745 -2.81651 9.46579 15.1798 32.8381 15.1117 1.34109 TIMING: 2581800 CPU: 8232.76, 0.00310636/step Wall: 8232.76, 0.00310636/step, 2.08661 hours remaining, 239.253906 MB of memory in use. ENERGY: 2581800 3987.1008 20478.1722 14597.6649 255.3184 -202872.6410 2425.7942 0.0000 0.0000 52019.7566 -109108.8339 298.9583 -161128.5905 -108741.9238 300.1588 -325.5407 -295.8693 763498.7824 -3.7751 -3.7823 PRESSURE: 2582000 -298.351 43.9812 -82.1808 43.981 -79.6414 -228.204 -82.181 -228.204 -244.372 GPRESSURE: 2582000 -235.017 40.2094 -66.0765 79.9213 -74.3504 -241.334 -167.824 -199.377 -225.873 PRESSAVG: 2582000 3.29953 -60.5424 11.6873 -60.5424 40.7724 -23.8578 11.6873 -23.8578 13.7552 GPRESSAVG: 2582000 2.55109 -61.1434 12.9874 -59.807 41.2356 -25.8458 10.6248 -23.2753 13.2709 TIMING: 2582000 CPU: 8233.38, 0.0031014/step Wall: 8233.38, 0.0031014/step, 2.08311 hours remaining, 239.253906 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 4022.2714 20543.1915 14487.0231 234.6748 -202989.0441 2423.0230 0.0000 0.0000 52133.7555 -109145.1047 299.6134 -161278.8602 -108786.9764 299.6021 -207.4548 -178.4134 760359.6435 19.2757 19.0192 PRESSURE: 2582200 321.907 -90.6244 246.256 -90.6256 -0.890329 -15.0911 246.257 -15.0912 122.568 GPRESSURE: 2582200 328.224 -121.81 191.85 -166.377 45.6498 0.766315 208.466 82.4364 143.829 PRESSAVG: 2582200 2.88785 -76.1367 -16.7313 -76.1367 -27.2255 -38.3527 -16.7312 -38.3528 -18.4163 GPRESSAVG: 2582200 3.66373 -73.9349 -16.6414 -75.7327 -27.9479 -38.7443 -16.3207 -37.7443 -18.1333 TIMING: 2582200 CPU: 8234, 0.00312488/step Wall: 8234, 0.00312488/step, 2.0987 hours remaining, 239.253906 MB of memory in use. ENERGY: 2582200 3868.9285 20651.7394 14519.8813 272.8645 -203425.5756 2825.5196 0.0000 0.0000 51985.7801 -109300.8622 298.7630 -161286.6423 -108948.2912 299.5114 147.8615 172.5676 762029.5876 -14.2513 -14.1391 PRESSURE: 2582400 -301.266 65.0575 -199.391 65.0581 -235.285 76.5455 -199.391 76.5455 37.4539 GPRESSURE: 2582400 -237.478 43.3233 -180.221 39.3183 -158.248 73.5907 -103.961 202.028 0.00197765 PRESSAVG: 2582400 -45.3504 -90.3501 -14.8845 -90.3501 31.4476 -10.18 -14.8845 -10.1801 -8.83256 GPRESSAVG: 2582400 -46.81 -92.9194 -13.6136 -90.8323 32.2978 -9.53109 -15.6355 -10.7113 -8.71587 TIMING: 2582400 CPU: 8234.63, 0.00313854/step Wall: 8234.63, 0.00313854/step, 2.1077 hours remaining, 239.253906 MB of memory in use. ENERGY: 2582400 3969.9631 20484.3583 14635.7472 244.2822 -203227.2746 2566.4121 0.0000 0.0000 52001.2955 -109325.2162 298.8522 -161326.5117 -108977.9576 299.4382 -166.3658 -131.9080 762592.1281 -7.5785 -7.7427 PRESSURE: 2582600 231.112 67.6864 -21.4733 67.6859 65.78 -88.2173 -21.4739 -88.2177 66.2596 GPRESSURE: 2582600 347.433 67.8631 15.5113 -15.0627 56.8734 -17.4153 -51.2131 -39.1531 55.7484 PRESSAVG: 2582600 -15.2039 -5.27146 -23.1424 -5.27146 -14.849 -6.39086 -23.1424 -6.39079 -17.3925 GPRESSAVG: 2582600 -14.1236 -6.37221 -21.7718 -4.4254 -14.9447 -6.77576 -23.2454 -7.20729 -18.1945 TIMING: 2582600 CPU: 8235.25, 0.00311678/step Wall: 8235.25, 0.00311678/step, 2.09291 hours remaining, 239.253906 MB of memory in use. ENERGY: 2582600 4024.4589 20503.2176 14579.1137 258.1881 -203391.8080 2719.0473 0.0000 0.0000 51899.0685 -109408.7137 298.2647 -161307.7822 -109053.7240 299.1181 121.0505 153.3515 762006.4449 -15.8151 -15.7543 PRESSURE: 2582800 -21.8868 126.772 -53.2966 126.771 183.798 -33.6006 -53.2965 -33.6009 -83.1218 GPRESSURE: 2582800 -52.547 68.9168 5.73323 51.8263 185.227 -1.73721 -258.263 96.4728 28.139 PRESSAVG: 2582800 -27.1412 -6.46895 -53.1477 -6.46898 17.6524 7.47991 -53.1476 7.47997 -23.3647 GPRESSAVG: 2582800 -27.7531 -3.1484 -54.6243 -7.77057 17.8311 8.31038 -52.786 6.36771 -22.7993 TIMING: 2582800 CPU: 8235.88, 0.00313295/step Wall: 8235.88, 0.00313295/step, 2.1036 hours remaining, 239.253906 MB of memory in use. ENERGY: 2582800 3903.0696 20615.8576 14492.8790 245.6063 -203238.3828 2630.6069 0.0000 0.0000 52111.7240 -109238.6394 299.4868 -161350.3633 -108881.5391 298.8557 26.2633 53.6063 762866.7529 -10.9512 -10.9071 PRESSURE: 2583000 -26.3114 69.9069 -128.708 69.9069 -14.2222 -36.0998 -128.708 -36.0999 256.272 GPRESSURE: 2583000 -37.2831 -42.6723 -154.594 39.0355 27.1944 -73.1042 -90.9021 -159.01 298.809 PRESSAVG: 2583000 -54.2447 5.64131 10.0203 5.64134 44.4873 -7.10528 10.0203 -7.10542 -8.52979 GPRESSAVG: 2583000 -53.8161 4.83305 10.2745 6.8594 43.701 -8.31846 13.0082 -3.99236 -8.05983 TIMING: 2583000 CPU: 8236.5, 0.00311487/step Wall: 8236.5, 0.00311487/step, 2.09129 hours remaining, 239.253906 MB of memory in use. ENERGY: 2583000 3929.8578 20495.4266 14462.3543 247.4509 -203032.1105 2512.8851 0.0000 0.0000 52192.5661 -109191.5697 299.9514 -161384.1358 -108823.8490 299.3437 71.9130 96.2401 761104.6801 -6.0957 -6.0583 PRESSURE: 2583200 83.8686 -92.7777 -22.9055 -92.7785 87.8866 -172.906 -22.9048 -172.905 5.27274 GPRESSURE: 2583200 143.736 -91.1671 -79.887 -17.941 78.0215 -123.721 200.536 -212.817 38.4704 PRESSAVG: 2583200 -19.7942 -47.6125 23.6381 -47.6125 49.0536 -63.0542 23.6381 -63.0542 7.45063 GPRESSAVG: 2583200 -19.9278 -46.5558 23.8084 -48.7494 49.7275 -61.5256 19.7104 -64.4951 6.71175 TIMING: 2583200 CPU: 8237.12, 0.00310655/step Wall: 8237.12, 0.00310655/step, 2.08553 hours remaining, 239.253906 MB of memory in use. ENERGY: 2583200 3994.8482 20468.5919 14554.6104 261.3678 -203135.1645 2540.6283 0.0000 0.0000 52110.4256 -109204.6923 299.4793 -161315.1180 -108842.8870 299.5816 59.0093 86.7426 760708.9225 12.2367 12.1705 PRESSURE: 2583400 -344.014 77.3277 -7.95496 77.3267 -314.029 78.3244 -7.95607 78.3254 -315.904 GPRESSURE: 2583400 -298.797 82.2708 -19.707 43.5448 -239.786 133.219 30.5175 77.7731 -351.349 PRESSAVG: 2583400 -19.5123 -66.4672 -65.5985 -66.4672 18.4746 -23.1825 -65.5985 -23.1826 -14.6984 GPRESSAVG: 2583400 -20.0072 -67.1791 -67.4171 -66.1054 18.682 -23.1645 -62.9389 -22.9823 -14.4268 TIMING: 2583400 CPU: 8237.74, 0.00310826/step Wall: 8237.74, 0.00310826/step, 2.08651 hours remaining, 239.253906 MB of memory in use. ENERGY: 2583400 3990.8381 20613.9187 14590.6125 248.2252 -202532.0168 2119.2684 0.0000 0.0000 51759.3184 -109209.8355 297.4615 -160969.1539 -108851.3176 299.0279 -324.6491 -296.6439 763443.6836 -5.2454 -5.2507 PRESSURE: 2583600 17.4096 -0.677304 -150.512 -0.677399 -553.4 44.3396 -150.513 44.3395 -367.728 GPRESSURE: 2583600 -69.1009 40.6989 -222.85 22.0194 -417.256 63.2374 -148.285 -66.0076 -347.373 PRESSAVG: 2583600 -45.923 1.67916 -57.7435 1.6791 -5.67246 16.4401 -57.7435 16.44 -0.744874 GPRESSAVG: 2583600 -46.781 2.7464 -55.676 0.517105 -4.67868 15.5181 -58.3561 17.1868 -1.21416 TIMING: 2583600 CPU: 8238.37, 0.00313702/step Wall: 8238.37, 0.00313702/step, 2.10563 hours remaining, 239.253906 MB of memory in use. ENERGY: 2583600 4003.7531 20567.7149 14547.6450 261.8227 -203105.4102 2641.5147 0.0000 0.0000 51796.4289 -109286.5308 297.6748 -161082.9597 -108924.0418 298.9344 -301.2396 -277.9100 763476.3817 -17.4468 -17.5579 PRESSURE: 2583800 -14.7481 -116.584 225.664 -116.583 114.923 -141.31 225.664 -141.311 337.052 GPRESSURE: 2583800 101.047 8.93169 219.14 -89.9341 143.103 -161.233 110.054 -182.963 275.808 PRESSAVG: 2583800 -19.4171 -32.3335 -18.6134 -32.3335 16.1463 -3.36118 -18.6135 -3.36128 -14.0639 GPRESSAVG: 2583800 -18.9458 -32.899 -20.2413 -32.0363 15.8975 -4.78106 -20.5876 -0.587467 -13.9611 TIMING: 2583800 CPU: 8239, 0.00311999/step Wall: 8239, 0.00311999/step, 2.09403 hours remaining, 239.253906 MB of memory in use. ENERGY: 2583800 3992.8510 20509.1510 14532.0800 247.3516 -203405.5323 2606.7374 0.0000 0.0000 52237.5177 -109279.8436 300.2097 -161517.3613 -108910.6207 299.3147 145.7423 173.3194 762853.5929 -5.7782 -5.6698 PRESSURE: 2584000 -272.777 -94.0056 257.968 -94.0044 43.5134 -12.9522 257.968 -12.9528 -307.945 GPRESSURE: 2584000 -206.643 -100.651 204.744 -37.1813 35.2669 31.9656 277.052 35.4935 -305.085 PRESSAVG: 2584000 -58.328 -16.5422 9.2004 -16.5422 -4.56651 -13.0616 9.20045 -13.0616 13.1567 GPRESSAVG: 2584000 -57.7348 -17.0584 8.77449 -15.5932 -5.72804 -11.7405 10.3885 -16.7203 13.2955 TIMING: 2584000 CPU: 8239.62, 0.00313684/step Wall: 8239.62, 0.00313684/step, 2.10517 hours remaining, 239.253906 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 4013.0908 20563.6136 14552.6775 239.0248 -203040.5091 2433.0966 0.0000 0.0000 52091.6308 -109147.3750 299.3713 -161239.0058 -108779.7766 299.5820 -179.0695 -158.8202 762683.9215 -16.5793 -16.7224 PRESSURE: 2584200 -77.3716 23.7845 3.51446 23.7853 85.0648 -45.6615 3.51487 -45.6604 235.291 GPRESSURE: 2584200 -28.3189 -28.2932 122.944 -16.0788 90.1664 9.67893 167.297 -35.9412 262.29 PRESSAVG: 2584200 31.578 -20.9406 36.4703 -20.9406 -44.6039 -40.1381 36.4704 -40.1381 -0.272426 GPRESSAVG: 2584200 31.224 -21.3905 38.154 -22.4382 -44.6961 -38.81 36.1234 -39.7885 -0.302268 TIMING: 2584200 CPU: 8240.25, 0.00314184/step Wall: 8240.25, 0.00314184/step, 2.10835 hours remaining, 239.253906 MB of memory in use. ENERGY: 2584200 4077.3019 20565.5489 14511.8334 233.9380 -202991.6626 2492.5060 0.0000 0.0000 51940.8003 -109169.7341 298.5045 -161110.5344 -108817.1754 299.4232 80.9946 108.0460 762142.5324 -4.4328 -4.5915 LDB: ============= START OF LOAD BALANCING ============== 8252.7 LDB: ============== END OF LOAD BALANCING =============== 8252.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8252.7 LDB: ============= START OF LOAD BALANCING ============== 8253.02 LDB: Largest compute 7073 load 0.033562 is 17.2% of average load 0.195243 LDB: Average compute 0.004388 is 2.2% of average load 0.195243 LDB: TIME 8253.02 LOAD: AVG 0.195243 MAX 0.2141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.516 MB LDB: TIME 8253.02 LOAD: AVG 0.195243 MAX 0.2141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.609 MB LDB: TIME 8253.02 LOAD: AVG 0.195243 MAX 0.2141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.609 MB LDB: ============== END OF LOAD BALANCING =============== 8253.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8253.03 PRESSURE: 2584400 -138.285 -121.41 -120.31 -121.41 -111.421 -7.37768 -120.309 -7.37823 0.0289481 GPRESSURE: 2584400 -95.4784 -92.1803 -127.046 -109.578 -37.6712 52.5264 -66.9399 -60.9232 -32.477 PRESSAVG: 2584400 -24.5642 -35.8171 6.67396 -35.817 37.9383 32.0188 6.6739 32.0186 12.5423 GPRESSAVG: 2584400 -26.4906 -36.4658 6.29476 -34.1379 37.9118 31.0201 8.28917 31.7545 14.275 TIMING: 2584400 CPU: 8240.89, 0.00319568/step Wall: 8240.89, 0.00319568/step, 2.1443 hours remaining, 241.253906 MB of memory in use. ENERGY: 2584400 3942.3674 20429.6139 14580.8272 271.5199 -203086.5795 2849.7014 0.0000 0.0000 51943.8227 -109068.7271 298.5219 -161012.5498 -108705.2638 299.8707 -83.2256 -55.2089 763775.5147 8.6388 8.5654 PRESSURE: 2584600 -160.335 -18.183 132.009 -18.1832 -209.412 -107.602 132.008 -107.601 46.2255 GPRESSURE: 2584600 -117.9 -43.7262 140.947 7.79557 -106.869 21.9669 110.07 -78.3686 -30.0337 PRESSAVG: 2584600 -33.41 37.5305 -24.8354 37.5304 44.6271 -21.9425 -24.8354 -21.9424 -47.9466 GPRESSAVG: 2584600 -31.7734 37.8386 -23.1686 37.21 44.6878 -22.5727 -25.2161 -20.6182 -49.719 TIMING: 2584600 CPU: 8241.52, 0.00313728/step Wall: 8241.52, 0.00313728/step, 2.10494 hours remaining, 241.457031 MB of memory in use. ENERGY: 2584600 3935.6706 20390.9516 14403.0569 247.7062 -203075.6246 2469.2993 0.0000 0.0000 52460.3463 -109168.5937 301.4903 -161628.9400 -108801.0823 299.7390 -107.8405 -84.9340 763397.8736 -12.2431 -12.2682 PRESSURE: 2584800 -264.575 9.64329 264.975 9.64234 101.451 -104.979 264.975 -104.979 -461.647 GPRESSURE: 2584800 -206.918 58.1261 226.002 145.865 94.3903 -94.1136 248.629 20.7769 -430.443 PRESSAVG: 2584800 16.6944 -27.1493 20.3464 -27.1493 11.5745 9.32388 20.3464 9.32381 14.6346 GPRESSAVG: 2584800 14.8614 -27.7665 17.1724 -27.5267 12.7713 10.383 20.2931 9.26283 15.5314 TIMING: 2584800 CPU: 8242.15, 0.00314786/step Wall: 8242.15, 0.00314786/step, 2.11186 hours remaining, 241.457031 MB of memory in use. ENERGY: 2584800 3910.4807 20487.1784 14424.8392 244.1658 -202735.5686 2379.7784 0.0000 0.0000 52155.7622 -109133.3639 299.7399 -161289.1261 -108767.0362 299.8353 -208.2570 -180.9905 763594.7302 14.3012 14.3881 PRESSURE: 2585000 122.128 0.594299 -143.932 0.594031 249.651 17.0736 -143.933 17.0737 205.424 GPRESSURE: 2585000 188.789 29.3193 -96.7043 -92.2811 284.384 37.0219 -117.609 -77.7855 193.914 PRESSAVG: 2585000 -99.0993 -3.49181 38.7827 -3.49183 48.8859 28.4268 38.7828 28.4268 18.467 GPRESSAVG: 2585000 -96.8989 -0.969324 39.2458 -3.33979 47.8022 27.6814 37.4252 26.7604 16.8799 TIMING: 2585000 CPU: 8242.78, 0.0031373/step Wall: 8242.78, 0.0031373/step, 2.1046 hours remaining, 241.457031 MB of memory in use. ENERGY: 2585000 3981.7282 20577.6506 14380.8211 241.7739 -203082.2031 2663.1842 0.0000 0.0000 51833.3653 -109403.6797 297.8871 -161237.0450 -109036.4209 299.2334 192.4012 222.3621 761183.9940 -10.5821 -10.7389 PRESSURE: 2585200 -261.977 -118.781 -7.50263 -118.781 108.956 -5.64559 -7.50323 -5.64521 323.903 GPRESSURE: 2585200 -171.349 -167.732 -13.8149 -15.1427 81.6215 58.7622 133.349 -120.267 357.475 PRESSAVG: 2585200 -6.12159 -31.8347 37.6989 -31.8346 15.0202 -50.8892 37.699 -50.8892 3.08275 GPRESSAVG: 2585200 -5.36088 -34.9591 38.2758 -31.692 14.1095 -49.4347 40.0233 -50.1921 3.30809 TIMING: 2585200 CPU: 8243.4, 0.00310683/step Wall: 8243.4, 0.00310683/step, 2.08399 hours remaining, 241.457031 MB of memory in use. ENERGY: 2585200 3932.0045 20565.2919 14461.2122 258.9450 -203014.9827 2582.7308 0.0000 0.0000 52085.0456 -109129.7526 299.3335 -161214.7982 -108761.6785 299.0480 56.9606 89.2491 764379.7623 3.9938 4.0189 PRESSURE: 2585400 111.907 53.6491 -55.5131 53.6497 -55.4298 13.931 -55.5132 13.9304 264.451 GPRESSURE: 2585400 59.6389 45.1108 -80.7285 53.9636 68.0145 146.943 -100.536 -1.064 269.189 PRESSAVG: 2585400 -48.367 -0.809368 29.895 -0.809344 -0.944966 3.32751 29.895 3.32748 -7.42549 GPRESSAVG: 2585400 -49.5793 -0.0433798 30.4804 -0.432618 -0.596527 1.82237 28.1673 3.57387 -6.29293 TIMING: 2585400 CPU: 8244.02, 0.00310748/step Wall: 8244.02, 0.00310748/step, 2.08426 hours remaining, 241.457031 MB of memory in use. ENERGY: 2585400 4012.8293 20642.6998 14398.1168 229.3297 -203268.7191 2659.9925 0.0000 0.0000 52095.8557 -109229.8952 299.3956 -161325.7510 -108861.9888 299.8292 106.9760 132.2808 763687.9861 -18.9125 -18.8229 PRESSURE: 2585600 -87.9486 31.1957 189.542 31.1959 -333.818 -296.286 189.542 -296.286 51.3717 GPRESSURE: 2585600 -94.6405 -62.6416 202.235 -47.0566 -220.742 -357.673 30.0129 -287.822 40.2071 PRESSAVG: 2585600 -47.4631 -38.5248 65.912 -38.5248 46.0133 -19.8303 65.912 -19.8303 -1.04169 GPRESSAVG: 2585600 -47.2383 -38.1442 65.8028 -38.2891 46.6629 -19.4508 66.6723 -19.1273 -2.05982 TIMING: 2585600 CPU: 8244.64, 0.00312113/step Wall: 8244.64, 0.00312113/step, 2.09324 hours remaining, 241.457031 MB of memory in use. ENERGY: 2585600 4039.3805 20638.6623 14513.4036 245.8275 -203351.8571 2488.0796 0.0000 0.0000 52047.1992 -109379.3045 299.1160 -161426.5036 -109019.3431 299.2534 -123.4650 -91.7253 762868.3018 -0.8305 -0.8784 PRESSURE: 2585800 -157.085 -87.8697 46.1447 -87.8702 105.511 -77.1784 46.1445 -77.1768 82.7923 GPRESSURE: 2585800 -146.43 -87.044 125.771 -89.5082 138.642 -80.0262 118.594 -213.297 123.454 PRESSAVG: 2585800 -25.3418 -20.1667 8.38896 -20.1667 20.8289 -17.5351 8.38892 -17.5351 14.8169 GPRESSAVG: 2585800 -26.1609 -19.4799 7.359 -21.2268 20.9432 -16.9824 8.89331 -18.5682 15.8103 TIMING: 2585800 CPU: 8245.27, 0.00313191/step Wall: 8245.27, 0.00313191/step, 2.10029 hours remaining, 241.457031 MB of memory in use. ENERGY: 2585800 3962.6668 20479.9648 14492.9072 243.8166 -203551.5528 2825.5104 0.0000 0.0000 52043.0192 -109503.6679 299.0919 -161546.6871 -109135.6718 298.9991 10.4061 38.5553 764043.7065 3.4347 3.5309 PRESSURE: 2586000 289.908 194.77 152.618 194.77 120.203 -376.707 152.617 -376.707 51.5376 GPRESSURE: 2586000 317.951 105.751 210.36 53.6626 146.324 -357.482 84.3065 -181.008 64.9285 PRESSAVG: 2586000 11.7973 -20.0211 13.8661 -20.0211 9.49691 26.1031 13.8661 26.1032 -11.7404 GPRESSAVG: 2586000 10.7797 -20.6132 14.5486 -20.6429 9.48322 25.6985 14.8192 27.0366 -11.2148 TIMING: 2586000 CPU: 8245.89, 0.00311153/step Wall: 8245.89, 0.00311153/step, 2.08645 hours remaining, 241.457031 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: 2586000 3897.7806 20471.7323 14422.2253 265.7121 -203723.4647 3083.0724 0.0000 0.0000 52077.3779 -109505.5643 299.2894 -161582.9421 -109139.9803 298.8279 153.8830 176.4013 762762.1963 3.1846 3.0161 PRESSURE: 2586200 -431.963 6.19387 98.0198 6.19423 -11.4532 85.8986 98.0198 85.8988 -378.452 GPRESSURE: 2586200 -358.821 -26.3374 95.2837 -9.28257 55.4921 35.0725 212.408 -50.4529 -450.152 PRESSAVG: 2586200 -40.0794 -56.1061 -15.3925 -56.1062 33.0103 -14.9108 -15.3925 -14.9108 -14.7954 GPRESSAVG: 2586200 -39.1386 -56.4302 -15.4157 -55.7624 34.2167 -15.2433 -19.3479 -17.1684 -16.6752 TIMING: 2586200 CPU: 8246.52, 0.00313298/step Wall: 8246.52, 0.00313298/step, 2.10067 hours remaining, 241.457031 MB of memory in use. ENERGY: 2586200 3987.1343 20376.3157 14469.0211 246.4665 -203210.4507 2515.0407 0.0000 0.0000 51887.2338 -109729.2385 298.1966 -161616.4723 -109368.3587 298.3979 -273.9560 -251.1604 762666.4587 -7.2881 -7.1990 PRESSURE: 2586400 -43.601 93.6454 30.0886 93.6461 136.143 170.339 30.088 170.338 205.963 GPRESSURE: 2586400 -55.488 106.304 -30.9719 53.2221 189.08 155.177 100.113 294.408 238.654 PRESSAVG: 2586400 -23.8598 -39.0689 10.7481 -39.069 17.8651 5.99384 10.7482 5.99387 -16.6539 GPRESSAVG: 2586400 -22.3819 -40.1108 9.98464 -36.4224 15.6115 4.87421 13.0678 7.27831 -16.4161 TIMING: 2586400 CPU: 8247.14, 0.00311232/step Wall: 8247.14, 0.00311232/step, 2.08663 hours remaining, 241.457031 MB of memory in use. ENERGY: 2586400 3961.7143 20380.9456 14451.9688 256.7321 -203597.1462 2853.6801 0.0000 0.0000 52030.9019 -109661.2034 299.0223 -161692.1053 -109313.6715 298.5578 99.5017 124.0822 760702.0966 -7.5495 -7.7288 PRESSURE: 2586600 -109.825 -35.5683 167.681 -35.5681 -45.9507 -40.4499 167.681 -40.4498 -279.703 GPRESSURE: 2586600 -90.3034 30.1278 150.925 -50.4238 7.66584 -23.397 168.157 -22.9553 -240.709 PRESSAVG: 2586600 6.87714 -61.7895 30.7081 -61.7894 4.39342 -23.7918 30.7082 -23.7918 -2.56461 GPRESSAVG: 2586600 6.07366 -61.9464 31.9566 -62.5105 4.73857 -22.5757 30.1003 -22.3612 -2.08447 TIMING: 2586600 CPU: 8247.76, 0.00311979/step Wall: 8247.76, 0.00311979/step, 2.09147 hours remaining, 241.457031 MB of memory in use. ENERGY: 2586600 3985.9809 20384.0566 14388.4910 245.4634 -203334.2666 2638.4706 0.0000 0.0000 52067.6784 -109624.1257 299.2337 -161691.8041 -109270.0704 299.0048 -145.1593 -107.7822 761126.8025 2.9020 2.9093 PRESSURE: 2586800 369.033 180.077 219.137 180.078 -162.397 257.522 219.138 257.523 90.046 GPRESSURE: 2586800 294.303 115.174 170.561 61.2239 -82.513 284.869 168.558 151.803 161.041 PRESSAVG: 2586800 12.5153 -17.3554 70.9321 -17.3554 -16.1887 -24.6217 70.9321 -24.6217 -8.20713 GPRESSAVG: 2586800 11.8382 -17.3012 68.6719 -19.5471 -16.0251 -25.5517 70.4424 -25.0558 -7.47701 TIMING: 2586800 CPU: 8248.39, 0.0031085/step Wall: 8248.39, 0.0031085/step, 2.08373 hours remaining, 241.457031 MB of memory in use. ENERGY: 2586800 3942.7509 20507.4736 14464.8268 232.6304 -203151.1102 2474.9555 0.0000 0.0000 51857.6672 -109670.8059 298.0267 -161528.4730 -109306.5352 298.7263 98.8942 124.2772 760671.0205 -3.9602 -3.8879 PRESSURE: 2587000 -31.6739 -76.9617 119.859 -76.9624 -211.441 -47.9591 119.859 -47.9594 -85.4892 GPRESSURE: 2587000 22.7666 -0.66316 92.7448 -49.1975 -178.525 -100.855 120.623 21.6615 -90.63 PRESSAVG: 2587000 5.40547 -46.3375 49.8595 -46.3375 -6.23506 -24.221 49.8595 -24.2209 8.04907 GPRESSAVG: 2587000 5.30998 -46.5059 50.1472 -44.5321 -6.34287 -23.1405 48.3776 -25.4631 8.15195 TIMING: 2587000 CPU: 8249.01, 0.00310853/step Wall: 8249.01, 0.00310853/step, 2.08358 hours remaining, 241.457031 MB of memory in use. ENERGY: 2587000 4022.8784 20502.3929 14438.1837 232.7451 -203419.6809 2700.4415 0.0000 0.0000 52272.4511 -109250.5883 300.4105 -161523.0394 -108869.6839 299.7155 -109.5349 -82.1296 762662.7017 2.4065 2.3730 PRESSURE: 2587200 -214.406 60.7386 -97.144 60.7385 -86.3653 -198.587 -97.1432 -198.588 98.9524 GPRESSURE: 2587200 -172.877 -21.7098 -25.0985 53.0353 -73.4762 -186.27 -190.113 -101.797 129.877 PRESSAVG: 2587200 23.6166 -36.0107 28.9798 -36.0106 -43.0805 -25.0298 28.9799 -25.0297 20.9394 GPRESSAVG: 2587200 24.1121 -36.9865 31.2028 -36.33 -43.1164 -26.0447 28.1753 -24.6038 19.6007 TIMING: 2587200 CPU: 8249.63, 0.00313441/step Wall: 8249.63, 0.00313441/step, 2.10075 hours remaining, 241.457031 MB of memory in use. ENERGY: 2587200 4029.7131 20653.1665 14403.4060 238.4717 -203438.8812 2743.1376 0.0000 0.0000 52076.9208 -109294.0656 299.2868 -161370.9864 -108935.5465 299.6649 -67.2729 -38.8256 762572.0823 0.4918 0.1988 PRESSURE: 2587400 342.787 169.749 -70.6654 169.749 -215.587 57.2004 -70.666 57.2016 -431.385 GPRESSURE: 2587400 347.649 161.242 -43.066 23.8916 -115.712 99.8681 -121.577 37.1541 -461.225 PRESSAVG: 2587400 133.112 -53.7872 -23.2104 -53.7872 -93.7846 22.9573 -23.2105 22.9573 -1.02228 GPRESSAVG: 2587400 131.364 -50.7422 -25.2741 -55.1973 -92.521 22.9481 -20.374 22.879 -0.369265 TIMING: 2587400 CPU: 8250.27, 0.00316478/step Wall: 8250.27, 0.00316478/step, 2.12093 hours remaining, 241.457031 MB of memory in use. ENERGY: 2587400 4078.7086 20709.7689 14462.7091 251.1233 -203577.0628 2674.5096 0.0000 0.0000 52270.0407 -109130.2026 300.3966 -161400.2433 -108772.6186 299.6341 -101.3950 -76.4294 763669.3157 12.7684 12.8246 PRESSURE: 2587600 55.7119 -33.2692 -52.2318 -33.2689 152.289 -10.4779 -52.2316 -10.4777 -271.197 GPRESSURE: 2587600 163.49 -74.1736 -58.9239 -30.3928 226.237 9.20119 -47.5435 -146.696 -360.845 PRESSAVG: 2587600 50.0804 -85.8217 -36.565 -85.8217 -34.9452 6.00779 -36.565 6.00786 -8.44349 GPRESSAVG: 2587600 51.3736 -88.29 -35.4856 -84.6342 -36.7068 6.31249 -39.1795 5.15691 -8.75521 TIMING: 2587600 CPU: 8250.9, 0.00314463/step Wall: 8250.9, 0.00314463/step, 2.10725 hours remaining, 241.457031 MB of memory in use. ENERGY: 2587600 4060.5859 20335.0385 14495.5201 254.6733 -203249.6682 2782.6959 0.0000 0.0000 51944.8951 -109376.2593 298.5280 -161321.1545 -109007.3795 299.2272 -21.0652 9.6272 762674.8110 2.2306 1.9705 PRESSURE: 2587800 -43.5575 -105.831 20.3037 -105.833 258.243 118.926 20.3035 118.925 -119.254 GPRESSURE: 2587800 -41.1119 9.30655 117.124 -266.113 236.023 107.839 -10.837 190.501 -7.984 PRESSAVG: 2587800 9.8888 -52.9647 -0.813824 -52.9647 -43.9365 35.5578 -0.813865 35.5578 -17.2089 GPRESSAVG: 2587800 9.6528 -50.9589 -1.54401 -53.6944 -44.1884 35.9438 0.00123161 37.4927 -16.7699 TIMING: 2587800 CPU: 8251.52, 0.00311391/step Wall: 8251.52, 0.00311391/step, 2.08649 hours remaining, 241.457031 MB of memory in use. ENERGY: 2587800 3937.5331 20599.2060 14528.5363 247.5602 -203374.7747 2747.3206 0.0000 0.0000 51998.1831 -109316.4354 298.8343 -161314.6185 -108960.1342 299.1527 31.8106 62.3089 764683.1729 -17.0855 -17.1018 PRESSURE: 2588000 162.011 126.028 48.3546 126.028 282.928 54.157 48.3546 54.1568 -128.563 GPRESSURE: 2588000 191.656 181.02 -88.546 139.634 358.727 2.14855 161.072 81.6164 -163.988 PRESSAVG: 2588000 -23.5244 -17.542 7.10152 -17.542 10.5923 10.2168 7.10153 10.2168 -9.72516 GPRESSAVG: 2588000 -23.3091 -17.3299 6.72648 -16.9287 11.0209 9.95364 7.42724 9.91652 -10.1937 TIMING: 2588000 CPU: 8252.15, 0.00313442/step Wall: 8252.15, 0.00313442/step, 2.10006 hours remaining, 241.457031 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: 2588000 4004.2583 20653.3496 14482.7980 254.2452 -203651.5480 2996.7846 0.0000 0.0000 51936.9703 -109323.1419 298.4825 -161260.1122 -108958.1865 299.5715 105.4586 128.7981 762304.0702 -7.5524 -7.4940 PRESSURE: 2588200 -216.688 -177.023 -68.7686 -177.023 -57.4845 -62.424 -68.7676 -62.4238 -63.951 GPRESSURE: 2588200 -268.071 -227.673 -80.3211 -70.1933 -13.5315 -35.3771 -81.4321 -55.1076 15.7214 PRESSAVG: 2588200 -18.25 -31.9136 29.204 -31.9136 5.50227 -12.4308 29.204 -12.4308 -6.4621 GPRESSAVG: 2588200 -17.1589 -33.7244 29.2657 -31.5862 4.99941 -13.516 30.1314 -12.798 -6.25278 TIMING: 2588200 CPU: 8252.77, 0.00313399/step Wall: 8252.77, 0.00313399/step, 2.0996 hours remaining, 241.457031 MB of memory in use. ENERGY: 2588200 3920.7211 20663.4588 14494.4311 236.7785 -203294.8893 2317.0226 0.0000 0.0000 52403.3309 -109259.1464 301.1627 -161662.4773 -108901.8415 299.6586 -112.7078 -88.6271 761591.4597 -6.4033 -6.1374 LDB: ============= START OF LOAD BALANCING ============== 8265.22 LDB: ============== END OF LOAD BALANCING =============== 8265.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8265.22 LDB: ============= START OF LOAD BALANCING ============== 8265.54 LDB: Largest compute 7056 load 0.034226 is 17.5% of average load 0.195312 LDB: Average compute 0.004386 is 2.2% of average load 0.195312 LDB: TIME 8265.54 LOAD: AVG 0.195312 MAX 0.214827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 8265.54 LOAD: AVG 0.195312 MAX 0.214827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: TIME 8265.54 LOAD: AVG 0.195312 MAX 0.214827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: ============== END OF LOAD BALANCING =============== 8265.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8265.55 PRESSURE: 2588400 -354.056 -157.787 90.6301 -157.787 -147.365 -116.344 90.6295 -116.345 -500.077 GPRESSURE: 2588400 -366.515 -180.323 91.8704 -178.231 -94.4921 -138.425 0.783808 -67.7078 -473.741 PRESSAVG: 2588400 -9.00786 -70.522 -34.1283 -70.522 -0.118517 -27.9352 -34.1283 -27.9353 10.5223 GPRESSAVG: 2588400 -10.2782 -69.7779 -35.6117 -70.3023 1.39783 -25.1001 -32.9272 -29.193 10.0605 TIMING: 2588400 CPU: 8253.41, 0.00319328/step Wall: 8253.41, 0.00319328/step, 2.13915 hours remaining, 240.550781 MB of memory in use. ENERGY: 2588400 4009.5279 20730.2008 14545.5161 255.2979 -203245.2340 2534.0866 0.0000 0.0000 51847.2447 -109323.3599 297.9668 -161170.6046 -108960.2802 299.6725 -333.8325 -311.5825 762604.0024 0.4653 0.3934 PRESSURE: 2588600 45.4063 -57.4787 7.76725 -57.4779 -196.044 -152.229 7.76678 -152.229 -44.2698 GPRESSURE: 2588600 33.4159 -44.0973 -70.4862 -89.6508 -126.508 -123.165 -40.4519 91.5526 -15.1839 PRESSAVG: 2588600 1.17195 -43.4844 23.0569 -43.4844 -37.7896 -8.95535 23.0569 -8.95537 -14.5316 GPRESSAVG: 2588600 0.59498 -43.956 23.558 -43.5845 -37.3883 -9.98687 21.0641 -9.12329 -14.3789 TIMING: 2588600 CPU: 8254.04, 0.00314582/step Wall: 8254.04, 0.00314582/step, 2.10718 hours remaining, 240.550781 MB of memory in use. ENERGY: 2588600 3995.7213 20585.6086 14472.4406 250.5356 -203233.1973 2410.5379 0.0000 0.0000 52255.2349 -109263.1184 300.3116 -161518.3534 -108902.6095 299.6330 -64.9690 -36.0921 762261.8103 -17.0498 -17.0574 PRESSURE: 2588800 -374.833 -61.8603 66.6797 -61.86 -239.385 -61.6504 66.6794 -61.6508 185.559 GPRESSURE: 2588800 -299.293 -38.8286 50.6798 -31.5268 -197.705 -116.396 79.7707 -116.751 139.467 PRESSAVG: 2588800 8.38738 -27.5204 34.65 -27.5204 12.3303 24.8806 34.65 24.8806 -5.22825 GPRESSAVG: 2588800 10.99 -25.6434 34.945 -27.8533 10.4675 24.915 33.5497 27.9473 -6.56088 TIMING: 2588800 CPU: 8254.66, 0.00311009/step Wall: 8254.66, 0.00311009/step, 2.08307 hours remaining, 240.550781 MB of memory in use. ENERGY: 2588800 4043.9721 20576.8829 14524.7426 248.6325 -203046.2124 2437.6461 0.0000 0.0000 52038.7458 -109175.5903 299.0674 -161214.3361 -108827.1711 300.0012 -142.8864 -119.1774 760264.3823 5.1631 4.9656 PRESSURE: 2589000 -88.7285 -20.2666 59.0929 -20.2665 12.7585 158.965 59.0924 158.966 -31.3115 GPRESSURE: 2589000 -39.93 -8.73841 15.9572 29.7596 -30.3001 181.388 71.0997 167.488 46.8429 PRESSAVG: 2589000 28.1994 -7.89243 -4.75178 -7.89241 -38.9172 19.669 -4.75174 19.6691 15.7464 GPRESSAVG: 2589000 27.9825 -10.71 -3.61941 -7.48432 -39.8422 19.6886 -5.15188 17.4672 17.1381 TIMING: 2589000 CPU: 8255.28, 0.00310861/step Wall: 8255.28, 0.00310861/step, 2.08191 hours remaining, 240.550781 MB of memory in use. ENERGY: 2589000 4031.4713 20491.3128 14526.8527 258.9756 -202683.4678 2197.5469 0.0000 0.0000 51802.2386 -109375.0698 297.7082 -161177.3084 -109001.1231 300.1377 -35.7605 -7.7957 760875.0485 1.6762 1.7595 PRESSURE: 2589200 -539.408 -153.979 106.289 -153.979 155.072 25.3399 106.289 25.3403 -20.5317 GPRESSURE: 2589200 -443.29 -72.1234 163.625 -204.339 197.49 19.1557 86.9511 46.9077 -70.2193 PRESSAVG: 2589200 -2.73649 25.0275 34.8556 25.0274 -37.8218 53.3937 34.8556 53.3937 23.4243 GPRESSAVG: 2589200 -3.9591 27.2221 34.5647 24.7841 -35.9832 54.5661 34.4345 52.6823 22.4974 TIMING: 2589200 CPU: 8255.91, 0.00313114/step Wall: 8255.91, 0.00313114/step, 2.09682 hours remaining, 240.550781 MB of memory in use. ENERGY: 2589200 4075.4636 20594.6170 14528.5818 264.6520 -203180.1557 2588.7551 0.0000 0.0000 52129.3980 -108998.6881 299.5884 -161128.0861 -108641.7686 300.0587 -134.9559 -105.3399 760963.7364 -5.7113 -5.8150 PRESSURE: 2589400 48.0795 8.99007 -18.6617 8.98992 240.003 -236.073 -18.6618 -236.071 -284.755 GPRESSURE: 2589400 91.101 -28.978 -79.6612 -91.0515 293.149 -223.304 -57.0524 -178.037 -292.456 PRESSAVG: 2589400 90.594 -44.1337 20.1677 -44.1338 -80.254 8.10748 20.1677 8.10744 -5.48518 GPRESSAVG: 2589400 90.4682 -44.0217 17.7695 -44.6159 -80.0626 5.92336 20.3431 9.85167 -5.09475 TIMING: 2589400 CPU: 8256.54, 0.00312941/step Wall: 8256.54, 0.00312941/step, 2.09549 hours remaining, 240.550781 MB of memory in use. ENERGY: 2589400 3984.0069 20527.5506 14605.6569 247.2450 -203076.6888 2546.3821 0.0000 0.0000 52156.0695 -109009.7777 299.7416 -161165.8473 -108638.7441 300.2709 1.1093 30.5981 760912.3298 1.6183 1.7703 PRESSURE: 2589600 391.094 -209.064 -75.5749 -209.065 192.606 37.9848 -75.5753 37.9854 -168.89 GPRESSURE: 2589600 385.852 -235.499 -251.602 -154.693 193.17 5.96882 74.0211 81.6762 -53.5553 PRESSAVG: 2589600 10.2426 -69.1454 16.2572 -69.1455 9.41722 13.0446 16.2571 13.0445 5.65833 GPRESSAVG: 2589600 10.166 -70.1023 17.0127 -69.3782 7.82483 14.7134 18.0538 12.2041 7.20188 TIMING: 2589600 CPU: 8257.16, 0.00313032/step Wall: 8257.16, 0.00313032/step, 2.09593 hours remaining, 240.550781 MB of memory in use. ENERGY: 2589600 4042.4719 20498.5259 14444.6019 251.3571 -203721.1135 3038.9220 0.0000 0.0000 52447.0858 -108998.1489 301.4141 -161445.2347 -108622.7018 300.5207 138.2699 175.1553 761200.5703 8.4394 8.3976 PRESSURE: 2589800 -38.1142 -162.312 24.4615 -162.312 109.649 146.1 24.4618 146.101 -239.963 GPRESSURE: 2589800 -24.9618 -33.7935 -83.4424 -188.953 175.57 32.8166 -55.6745 -29.842 -215.239 PRESSAVG: 2589800 0.500149 -58.2121 49.577 -58.2121 27.1951 8.02121 49.5769 8.02121 -0.607976 GPRESSAVG: 2589800 0.833132 -57.5704 49.0412 -58.5038 28.4659 6.48173 48.7519 7.80476 -2.34843 TIMING: 2589800 CPU: 8257.79, 0.00312578/step Wall: 8257.79, 0.00312578/step, 2.09271 hours remaining, 240.550781 MB of memory in use. ENERGY: 2589800 4059.0878 20813.5986 14429.6625 249.7567 -202867.9653 2412.8300 0.0000 0.0000 52058.0875 -108844.9422 299.1785 -160903.0297 -108487.2911 300.8579 -56.1425 -21.5434 761417.3969 9.0291 8.9835 PRESSURE: 2590000 -321.594 -258.222 -257.927 -258.222 -257.569 -108.976 -257.927 -108.976 -462.716 GPRESSURE: 2590000 -222.355 -191.068 -282.632 -212.849 -292.866 -33.41 -202.281 -48.2287 -450.665 PRESSAVG: 2590000 22.727 -49.5773 22.4976 -49.5773 -35.923 10.0986 22.4975 10.0987 15.0718 GPRESSAVG: 2590000 22.9878 -47.6678 22.8073 -48.8564 -35.7586 10.7773 23.9162 10.8403 15.06 TIMING: 2590000 CPU: 8258.42, 0.00314731/step Wall: 8258.42, 0.00314731/step, 2.10695 hours remaining, 240.550781 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: 2590000 4019.2568 20554.5188 14474.9460 257.1055 -203725.5915 2900.2131 0.0000 0.0000 52511.6403 -109007.9110 301.7851 -161519.5513 -108644.0127 300.3515 -347.2930 -321.9619 762238.2372 0.6253 0.7631 PRESSURE: 2590200 176.092 -19.7969 -49.4353 -19.7978 59.071 -135.786 -49.4345 -135.786 -14.0725 GPRESSURE: 2590200 169.999 60.3833 8.38984 20.6655 50.9448 -164.7 50.4353 -66.7704 74.4356 PRESSAVG: 2590200 15.1833 -23.5328 -17.4147 -23.5328 -46.4933 1.95161 -17.4147 1.95153 22.6891 GPRESSAVG: 2590200 14.2699 -26.735 -16.2489 -22.0918 -46.4763 1.60637 -16.0384 2.12655 23.8433 TIMING: 2590200 CPU: 8259.05, 0.00315638/step Wall: 8259.05, 0.00315638/step, 2.11284 hours remaining, 240.550781 MB of memory in use. ENERGY: 2590200 3952.9438 20638.3069 14480.4095 232.3055 -203121.2902 2645.4415 0.0000 0.0000 52252.3785 -108919.5045 300.2951 -161171.8830 -108561.5656 300.5401 73.6968 98.4598 762055.5358 -2.8736 -2.7877 PRESSURE: 2590400 -167.89 45.0564 217.737 45.0574 99.0286 77.6434 217.736 77.6427 -146.009 GPRESSURE: 2590400 -93.1829 -3.32849 118.38 -4.49732 66.9542 -6.58072 243.324 84.9057 -103.624 PRESSAVG: 2590400 1.46971 -73.9378 7.09453 -73.9378 11.4319 -17.7946 7.09455 -17.7946 -0.0610285 GPRESSAVG: 2590400 3.475 -73.6403 7.85269 -75.0074 10.8455 -15.5771 5.15854 -19.8667 -1.46511 TIMING: 2590400 CPU: 8259.68, 0.00314407/step Wall: 8259.68, 0.00314407/step, 2.10443 hours remaining, 240.550781 MB of memory in use. ENERGY: 2590400 3977.9901 20701.8422 14424.5468 239.4699 -203600.5934 2636.0795 0.0000 0.0000 52531.2598 -109089.4052 301.8979 -161620.6649 -108718.8602 300.7970 -71.6234 -43.2843 760981.1247 4.2802 4.2851 PRESSURE: 2590600 -224.249 90.2133 -89.3633 90.2138 517.488 -50.9754 -89.3635 -50.976 475.339 GPRESSURE: 2590600 -131.164 100.384 -138.904 88.1056 448.909 -104.065 -68.1711 -178.725 513.777 PRESSAVG: 2590600 50.7775 -99.0937 10.0736 -99.0937 -57.2242 -4.43146 10.0736 -4.43142 6.30766 GPRESSAVG: 2590600 49.678 -100.154 10.1621 -98.2498 -57.4952 -6.90926 10.4734 -3.08544 7.43671 TIMING: 2590600 CPU: 8260.31, 0.00315688/step Wall: 8260.31, 0.00315688/step, 2.11283 hours remaining, 240.550781 MB of memory in use. ENERGY: 2590600 3994.1011 20659.1242 14456.0402 249.1541 -203618.4450 2841.1567 0.0000 0.0000 52454.9581 -108963.9106 301.4594 -161418.8687 -108600.2319 300.7500 256.1925 277.1740 761851.4970 -0.0464 -0.1269 PRESSURE: 2590800 97.5508 54.4513 -48.8485 54.4506 -125.152 -7.40348 -48.8482 -7.40392 164.637 GPRESSURE: 2590800 131.656 131.753 30.0863 -19.9778 0.984122 30.6031 -99.4169 -44.0825 114.47 PRESSAVG: 2590800 32.5838 -56.7329 36.3227 -56.7329 -50.4797 -19.132 36.3227 -19.1321 -1.54346 GPRESSAVG: 2590800 32.2445 -54.753 36.9216 -58.4996 -50.4915 -16.8843 38.1381 -19.1263 -1.40189 TIMING: 2590800 CPU: 8260.94, 0.00315824/step Wall: 8260.94, 0.00315824/step, 2.11356 hours remaining, 240.550781 MB of memory in use. ENERGY: 2590800 3978.1507 20607.6840 14450.1849 242.7529 -203337.0614 2640.8833 0.0000 0.0000 52058.1031 -109359.3025 299.1786 -161417.4056 -108985.5790 299.8655 45.6788 82.3702 762134.1905 -6.4798 -6.5496 PRESSURE: 2591000 4.73799 66.5764 -97.3135 66.5764 -25.3087 181.496 -97.3132 181.495 -21.9453 GPRESSURE: 2591000 6.58637 146.238 -23.5012 149.465 29.5365 68.7429 -59.0999 189.584 20.805 PRESSAVG: 2591000 40.1985 -39.968 8.54744 -39.968 -29.1983 2.39244 8.54746 2.39233 3.18924 GPRESSAVG: 2591000 40.7877 -40.1122 8.56206 -38.7282 -27.9094 1.73945 7.0718 2.84695 1.26283 TIMING: 2591000 CPU: 8261.56, 0.00311798/step Wall: 8261.56, 0.00311798/step, 2.08645 hours remaining, 240.550781 MB of memory in use. ENERGY: 2591000 4037.6658 20349.1946 14429.6027 224.1658 -203294.1119 2755.5758 0.0000 0.0000 52074.6402 -109423.2670 299.2737 -161497.9072 -109062.9732 299.3608 -14.1720 18.9760 759884.2956 4.7298 4.7137 PRESSURE: 2591200 -203.509 -156.308 -160.487 -156.307 13.2494 57.357 -160.488 57.3567 -302.17 GPRESSURE: 2591200 -151.744 -171.997 -88.2201 -119.153 -16.1352 -68.2418 -264.826 -1.72119 -247.819 PRESSAVG: 2591200 13.6836 -4.8353 60.4651 -4.83525 -10.6689 -5.32901 60.4652 -5.32904 20.2869 GPRESSAVG: 2591200 12.1994 -6.70068 59.4643 -3.70516 -10.7937 -6.88914 59.273 -6.47823 22.2056 TIMING: 2591200 CPU: 8262.19, 0.0031278/step Wall: 8262.19, 0.0031278/step, 2.09285 hours remaining, 240.550781 MB of memory in use. ENERGY: 2591200 4003.1780 20550.2277 14500.6999 269.3393 -203390.9535 2384.4850 0.0000 0.0000 52064.6493 -109618.3743 299.2163 -161683.0235 -109259.4263 298.9674 -164.1431 -138.5661 760555.0576 7.7672 7.8704 PRESSURE: 2591400 -23.6697 -1.65738 94.6429 -1.65747 187.713 19.7771 94.6431 19.7778 -187.382 GPRESSURE: 2591400 -18.8517 -24.3812 73.5314 29.0545 235.214 59.1553 49.3368 -75.1092 -190.927 PRESSAVG: 2591400 16.164 45.0079 -2.75085 45.0078 3.50234 18.8157 -2.75085 18.8157 6.20564 GPRESSAVG: 2591400 17.2937 45.5607 -2.24722 42.6446 3.85996 19.6291 -1.55379 19.333 4.82667 TIMING: 2591400 CPU: 8262.82, 0.0031586/step Wall: 8262.82, 0.0031586/step, 2.11328 hours remaining, 240.550781 MB of memory in use. ENERGY: 2591400 4020.1114 20598.8003 14434.5801 258.9225 -203909.8677 2863.5516 0.0000 0.0000 51871.1865 -109862.7154 298.1044 -161733.9019 -109508.9685 298.8044 -7.7794 8.4787 760426.6978 8.6240 8.6601 PRESSURE: 2591600 327.339 304.465 -46.9738 304.465 -318.276 70.3341 -46.9735 70.3329 -245.819 GPRESSURE: 2591600 346.021 166.638 57.0243 315.651 -265.528 111.086 -29.0906 41.5777 -228.301 PRESSAVG: 2591600 29.1095 48.7607 39.6614 48.7607 -12.1103 4.81386 39.6615 4.81377 11.608 GPRESSAVG: 2591600 28.7291 49.2025 38.027 49.125 -13.6258 7.4001 42.0005 1.61808 13.2097 TIMING: 2591600 CPU: 8263.45, 0.00314931/step Wall: 8263.45, 0.00314931/step, 2.10689 hours remaining, 240.550781 MB of memory in use. ENERGY: 2591600 3983.8143 20285.2045 14481.6378 261.7049 -203633.1400 2726.2554 0.0000 0.0000 52063.4834 -109831.0397 299.2096 -161894.5231 -109467.7539 298.7358 -78.9186 -49.2693 762426.5936 9.5358 9.4377 PRESSURE: 2591800 -237.271 58.1612 -32.2093 58.161 -242.044 -164.232 -32.2083 -164.233 -462.211 GPRESSURE: 2591800 -264.351 63.5466 57.9095 94.1325 -199.255 -127.312 -62.9003 -198.291 -401.245 PRESSAVG: 2591800 85.2903 34.9935 -60.7323 34.9934 -53.3503 16.91 -60.7323 16.91 36.2627 GPRESSAVG: 2591800 85.0895 35.3126 -57.0777 35.1356 -52.7975 14.8328 -64.272 17.7297 35.7804 TIMING: 2591800 CPU: 8264.08, 0.00316495/step Wall: 8264.08, 0.00316495/step, 2.11717 hours remaining, 240.550781 MB of memory in use. ENERGY: 2591800 3980.9089 20445.3133 14441.0485 240.0538 -202939.1239 2148.1000 0.0000 0.0000 51854.3923 -109829.3070 298.0079 -161683.6993 -109466.0786 298.3156 -313.8419 -288.2841 764132.7449 22.7343 22.6908 PRESSURE: 2592000 99.9994 -195.138 223.459 -195.139 -194.436 97.6249 223.46 97.6239 -12.5122 GPRESSURE: 2592000 56.9521 -124.846 138.305 -75.6465 -84.616 126.462 255.58 53.5208 6.32518 PRESSAVG: 2592000 24.8604 3.36464 11.8931 3.36459 -26.0637 23.255 11.8931 23.255 1.34353 GPRESSAVG: 2592000 24.9246 3.82939 8.48057 3.4463 -23.9816 22.7624 12.6829 24.4758 -0.387293 TIMING: 2592000 CPU: 8264.71, 0.00314437/step Wall: 8264.71, 0.00314437/step, 2.10323 hours remaining, 240.550781 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: 2592000 4103.7726 20449.9988 14415.2305 246.0576 -203436.6550 2529.6914 0.0000 0.0000 51853.9870 -109837.9170 298.0056 -161691.9040 -109472.2168 298.4483 -35.6495 -7.1129 762626.1357 0.0467 0.1852 PRESSURE: 2592200 42.8962 -161.247 -190.287 -161.247 11.4123 -223.468 -190.288 -223.469 43.1342 GPRESSURE: 2592200 -3.6837 -87.1719 -163.038 -123.759 41.0106 -145.387 -136.6 -248.745 135.696 PRESSAVG: 2592200 -9.99058 9.81172 20.4607 9.8117 2.46096 1.91217 20.4607 1.91218 15.2136 GPRESSAVG: 2592200 -9.60561 10.3932 21.8921 11.5677 1.23057 2.43728 21.5271 1.47307 15.3879 TIMING: 2592200 CPU: 8265.34, 0.0031255/step Wall: 8265.34, 0.0031255/step, 2.09044 hours remaining, 240.550781 MB of memory in use. ENERGY: 2592200 3989.6798 20535.2235 14425.0746 251.0809 -203726.8965 2682.5497 0.0000 0.0000 52143.9950 -109699.2929 299.6723 -161843.2880 -109341.7423 298.9723 32.4809 57.6742 763016.2865 2.5613 2.3376 LDB: ============= START OF LOAD BALANCING ============== 8277.79 LDB: ============== END OF LOAD BALANCING =============== 8277.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8277.79 LDB: ============= START OF LOAD BALANCING ============== 8278.11 LDB: Largest compute 7056 load 0.034582 is 17.7% of average load 0.195267 LDB: Average compute 0.004394 is 2.3% of average load 0.195267 LDB: TIME 8278.11 LOAD: AVG 0.195267 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 8278.11 LOAD: AVG 0.195267 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 8278.11 LOAD: AVG 0.195267 MAX 0.21494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 8278.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8278.12 PRESSURE: 2592400 -14.3623 -97.635 29.811 -97.6339 24.4252 74.567 29.8108 74.5666 85.7138 GPRESSURE: 2592400 63.203 -90.3961 48.1807 -183.567 15.8054 11.6274 103.276 165.39 109.271 PRESSAVG: 2592400 36.8073 -30.8765 38.9255 -30.8766 -18.0157 3.05076 38.9255 3.05077 16.5701 GPRESSAVG: 2592400 36.9116 -29.1641 38.4322 -34.3954 -19.5476 1.98516 38.5312 3.73163 17.4665 TIMING: 2592400 CPU: 8265.98, 0.00322399/step Wall: 8265.98, 0.00322398/step, 2.15613 hours remaining, 242.609375 MB of memory in use. ENERGY: 2592400 3954.0201 20516.1793 14474.2851 278.2312 -203664.2157 2854.0140 0.0000 0.0000 52085.7277 -109501.7583 299.3374 -161587.4861 -109144.6679 299.5646 31.9255 62.7599 764025.7565 11.7872 11.6102 PRESSURE: 2592600 -266.893 -192 88.1002 -192.001 171.626 88.9899 88.1 88.99 -307.19 GPRESSURE: 2592600 -216.11 -201.005 46.1003 -154.529 207.788 62.8427 197.394 130.496 -314.902 PRESSAVG: 2592600 2.56981 -64.6069 -13.1018 -64.6069 -5.02445 30.9903 -13.1018 30.9903 -0.253947 GPRESSAVG: 2592600 2.66368 -67.8525 -13.2947 -62.272 -5.44666 30.9661 -10.8235 32.186 -0.442177 TIMING: 2592600 CPU: 8266.61, 0.00315492/step Wall: 8266.61, 0.00315492/step, 2.10977 hours remaining, 242.675781 MB of memory in use. ENERGY: 2592600 3985.4470 20491.7624 14395.9603 246.3443 -203229.2716 2428.8566 0.0000 0.0000 52031.2615 -109649.6393 299.0244 -161680.9009 -109282.3021 299.2577 -134.1523 -107.7412 763110.1155 -0.9029 -1.0751 PRESSURE: 2592800 -156.496 8.25658 -15.7909 8.2561 114.253 242.285 -15.7907 242.285 222.586 GPRESSURE: 2592800 20.2952 13.474 -10.6099 -0.561487 43.1665 233.351 -71.671 253.971 198.646 PRESSAVG: 2592800 13.0422 -51.2458 -54.2505 -51.2459 6.85875 9.45731 -54.2506 9.45734 -0.486709 GPRESSAVG: 2592800 13.5295 -50.3782 -53.1922 -51.0723 6.69007 10.7469 -56.7728 7.96408 -1.1543 TIMING: 2592800 CPU: 8267.25, 0.00317375/step Wall: 8267.25, 0.00317375/step, 2.12218 hours remaining, 242.675781 MB of memory in use. ENERGY: 2592800 3935.2710 20438.9265 14504.3672 261.1718 -203545.8440 2721.9348 0.0000 0.0000 51980.4056 -109703.7670 298.7321 -161684.1726 -109328.9119 299.0730 60.1143 87.3692 760111.0144 6.4714 6.3551 PRESSURE: 2593000 -182.401 16.4933 -75.8075 16.4939 20.2964 171.776 -75.8068 171.776 135.801 GPRESSURE: 2593000 -209.815 5.48047 -101.949 33.5797 34.9978 180.866 -153.144 -9.43285 224.142 PRESSAVG: 2593000 37.4038 -35.0464 4.58812 -35.0464 -13.4164 39.0153 4.58818 39.0153 25.7011 GPRESSAVG: 2593000 35.4077 -32.7129 4.73214 -35.6125 -12.0806 38.9238 2.18638 39.3133 26.6832 TIMING: 2593000 CPU: 8267.88, 0.00314849/step Wall: 8267.88, 0.00314849/step, 2.10511 hours remaining, 242.675781 MB of memory in use. ENERGY: 2593000 3947.4251 20601.6415 14379.3354 238.9768 -203404.8973 2640.0343 0.0000 0.0000 51952.1704 -109645.3139 298.5698 -161597.4843 -109267.5355 298.8021 -8.7678 16.4419 760340.9278 16.5628 16.6701 PRESSURE: 2593200 55.713 116.397 8.06684 116.395 -122.799 -71.1003 8.0668 -71.1004 136.738 GPRESSURE: 2593200 66.2944 118.786 80.8765 -62.4568 -65.0997 -63.8008 -74.9842 11.9519 140.479 PRESSAVG: 2593200 18.2785 -33.2108 -18.5363 -33.2108 -4.99201 37.957 -18.5363 37.957 -13.4601 GPRESSAVG: 2593200 20.6689 -35.795 -20.002 -32.5408 -6.03103 38.1809 -14.8045 36.4984 -14.7079 TIMING: 2593200 CPU: 8268.51, 0.00313864/step Wall: 8268.51, 0.00313864/step, 2.09836 hours remaining, 242.675781 MB of memory in use. ENERGY: 2593200 4036.7647 20491.1074 14406.1488 222.9021 -204021.8851 2892.2020 0.0000 0.0000 52299.9928 -109672.7673 300.5688 -161972.7601 -109288.9783 298.9251 23.2174 47.2246 759590.1044 -0.0579 -0.0233 PRESSURE: 2593400 -120.195 -169.363 293.546 -169.363 -337.769 -159.324 293.547 -159.324 39.4878 GPRESSURE: 2593400 -107.886 -240.085 263.798 -151.074 -341.718 -65.4857 165.594 -239.2 116.74 PRESSAVG: 2593400 4.31804 -12.0708 -16.3503 -12.0708 13.1554 9.74301 -16.3502 9.74306 20.4801 GPRESSAVG: 2593400 3.03539 -12.1395 -16.0439 -11.5124 14.0798 10.2167 -18.3623 12.1837 20.629 TIMING: 2593400 CPU: 8269.13, 0.0031199/step Wall: 8269.13, 0.0031199/step, 2.08565 hours remaining, 242.675781 MB of memory in use. ENERGY: 2593400 4042.9695 20735.2773 14410.1876 255.4600 -203624.6215 2833.9032 0.0000 0.0000 51960.6810 -109386.1429 298.6187 -161346.8240 -109035.6563 299.6460 -139.4919 -110.9547 762050.7510 12.6512 12.5814 PRESSURE: 2593600 -332.452 -144.777 97.8963 -144.776 70.564 -27.6787 97.8964 -27.6788 -78.1754 GPRESSURE: 2593600 -210.274 -27.3901 78.6957 -118.37 37.0908 -100.333 -103.913 -18.8076 -94.6362 PRESSAVG: 2593600 -33.9001 5.68873 -15.005 5.68867 -17.9655 23.9515 -15.005 23.9515 -28.0503 GPRESSAVG: 2593600 -33.3419 5.55746 -15.7092 4.84765 -18.6966 21.5586 -13.2154 23.9179 -27.9342 TIMING: 2593600 CPU: 8269.76, 0.00313275/step Wall: 8269.76, 0.00313275/step, 2.09407 hours remaining, 242.675781 MB of memory in use. ENERGY: 2593600 4022.6609 20649.2652 14429.3603 230.3050 -203796.3996 2785.3454 0.0000 0.0000 52197.2465 -109482.2162 299.9783 -161679.4627 -109126.7954 299.6038 -113.3544 -89.2733 761673.6132 -26.6386 -26.6576 PRESSURE: 2593800 413.993 -14.533 80.8523 -14.5326 82.8712 165.462 80.8524 165.462 326.519 GPRESSURE: 2593800 432.593 66.251 46.3302 -6.78925 173.36 103.728 167.556 109.618 307.547 PRESSAVG: 2593800 7.44231 -47.3509 -24.4701 -47.3508 -0.851924 55.8257 -24.4701 55.8257 27.7327 GPRESSAVG: 2593800 7.10117 -46.5125 -24.3808 -46.8543 -0.531778 57.2956 -24.0447 55.609 28.0925 TIMING: 2593800 CPU: 8270.39, 0.0031511/step Wall: 8270.39, 0.0031511/step, 2.10616 hours remaining, 242.675781 MB of memory in use. ENERGY: 2593800 4064.6798 20562.4070 14483.1208 247.4755 -203504.6528 2642.5310 0.0000 0.0000 52263.0026 -109241.4363 300.3562 -161504.4388 -108884.9726 300.0176 274.4611 304.4998 761883.6464 11.4410 11.5540 PRESSURE: 2594000 -9.50568 -216.382 -81.6797 -216.382 -245.469 122.688 -81.6793 122.688 -48.5 GPRESSURE: 2594000 25.1306 -123.34 -102.838 -162.046 -179.033 141.798 2.7707 106.137 -56.8742 PRESSAVG: 2594000 25.3892 -36.9471 -21.3649 -36.9471 -3.50018 13.5308 -21.365 13.5309 5.15263 GPRESSAVG: 2594000 25.0973 -38.0481 -22.11 -36.1135 -3.08826 13.3238 -21.3974 14.3519 5.33261 TIMING: 2594000 CPU: 8271.02, 0.00316208/step Wall: 8271.02, 0.00316208/step, 2.11332 hours remaining, 242.675781 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: 2594000 4038.3197 20532.7494 14351.4287 236.1555 -203432.8330 2822.3342 0.0000 0.0000 52316.1765 -109135.6691 300.6618 -161451.8456 -108780.2960 300.1830 -101.1583 -70.2588 762153.6506 9.0139 9.1139 PRESSURE: 2594200 170.779 -14.6211 -52.3226 -14.6214 -63.5766 126.764 -52.323 126.764 -302.958 GPRESSURE: 2594200 147.754 -4.04451 -45.47 75.8238 -26.6401 152.347 59.7536 176.737 -227.188 PRESSAVG: 2594200 7.80888 -55.5795 12.275 -55.5794 43.5633 44.4223 12.275 44.4223 0.370763 GPRESSAVG: 2594200 8.61775 -54.821 15.3629 -55.482 42.3622 44.0831 11.2163 43.2688 1.24112 TIMING: 2594200 CPU: 8271.65, 0.0031441/step Wall: 8271.65, 0.0031441/step, 2.10113 hours remaining, 242.675781 MB of memory in use. ENERGY: 2594200 4061.6316 20477.9871 14400.3757 256.5396 -203519.9261 2690.0771 0.0000 0.0000 52293.7425 -109339.5724 300.5329 -161633.3149 -108977.3550 300.3942 -65.2519 -35.3579 762174.2610 17.2477 17.4070 PRESSURE: 2594400 -7.81559 -74.2373 -34.5326 -74.2372 290.728 77.0687 -34.5328 77.0682 -59.7827 GPRESSURE: 2594400 46.2812 3.81319 -9.84968 -145.783 287.779 51.5455 -20.4779 5.41622 -15.1922 PRESSAVG: 2594400 -18.2062 -74.5186 -28.2947 -74.5185 25.0525 7.60861 -28.2947 7.60857 -16.8036 GPRESSAVG: 2594400 -18.6118 -74.0228 -28.8329 -76.4913 25.9998 6.87906 -28.8756 8.95886 -17.5366 TIMING: 2594400 CPU: 8272.27, 0.00310275/step Wall: 8272.27, 0.00310275/step, 2.07333 hours remaining, 242.675781 MB of memory in use. ENERGY: 2594400 3932.8378 20636.9679 14530.0549 253.7519 -203171.3138 2567.5009 0.0000 0.0000 52016.7050 -109233.4954 298.9407 -161250.2003 -108873.1946 300.0915 74.3764 106.2894 763285.7161 -3.3191 -3.3829 PRESSURE: 2594600 -248.251 161.954 -113.521 161.955 -337.783 -10.2383 -113.521 -10.2391 -475.094 GPRESSURE: 2594600 -223.588 93.6996 -263.492 68.4484 -280.235 53.2331 73.2754 -16.8266 -458.725 PRESSAVG: 2594600 12.0701 -86.9157 -27.7306 -86.9157 17.2337 31.9233 -27.7307 31.9233 5.53253 GPRESSAVG: 2594600 13.4711 -89.3764 -29.3507 -85.3395 16.0125 33.4628 -26.6979 30.8344 5.68323 TIMING: 2594600 CPU: 8272.9, 0.00314346/step Wall: 8272.9, 0.00314346/step, 2.10035 hours remaining, 242.675781 MB of memory in use. ENERGY: 2594600 4107.8060 20530.8136 14438.0204 233.7525 -203227.7221 2475.6343 0.0000 0.0000 52135.7942 -109305.9012 299.6251 -161441.6953 -108948.9746 299.9256 -353.7092 -320.8492 762966.5363 11.6121 11.7223 PRESSURE: 2594800 -189.24 -56.8749 -77.1706 -56.8747 -121.996 51.6316 -77.1713 51.6328 -386.597 GPRESSURE: 2594800 -171.761 -43.1498 -38.7975 -101.196 -92.8831 77.9165 53.5638 76.5239 -351.035 PRESSAVG: 2594800 41.2418 22.9769 0.923023 22.9769 3.56266 21.6086 0.923061 21.6085 16.456 GPRESSAVG: 2594800 40.8406 23.6366 1.11764 22.3272 3.74366 20.5417 2.5045 21.9668 16.4401 TIMING: 2594800 CPU: 8273.52, 0.00312852/step Wall: 8273.52, 0.00312852/step, 2.0902 hours remaining, 242.675781 MB of memory in use. ENERGY: 2594800 4057.0370 20599.7576 14421.9154 250.3574 -203624.7043 2543.9573 0.0000 0.0000 52458.8192 -109292.8603 301.4816 -161751.6795 -108929.0048 300.2031 -232.6109 -205.2262 759951.4154 20.4201 20.3414 PRESSURE: 2595000 12.2247 114.743 172.7 114.744 140.444 208.93 172.701 208.929 5.61487 GPRESSURE: 2595000 70.1386 78.1225 163.218 175.046 192.679 193.927 80.8437 313.962 -5.80072 PRESSAVG: 2595000 23.9932 -22.252 49.1139 -22.252 -8.69305 -28.6098 49.1139 -28.6097 7.03197 GPRESSAVG: 2595000 24.531 -20.2715 50.2655 -22.5824 -8.46895 -27.6574 46.3601 -27.9046 6.13276 TIMING: 2595000 CPU: 8274.14, 0.00310711/step Wall: 8274.14, 0.00310711/step, 2.07572 hours remaining, 242.675781 MB of memory in use. ENERGY: 2595000 3932.8132 20550.4121 14477.6630 235.0308 -203255.0729 2614.7202 0.0000 0.0000 52133.0221 -109311.4115 299.6092 -161444.4336 -108941.6469 299.9981 52.7613 85.6722 760964.6378 7.4440 7.3983 PRESSURE: 2595200 147.66 159.626 226.299 159.626 -218.266 77.9431 226.299 77.9424 190.883 GPRESSURE: 2595200 151.622 5.37011 267.541 169.581 -75.9241 -24.4912 266.645 114.55 131.79 PRESSAVG: 2595200 7.06256 -24.1904 -7.14361 -24.1903 -15.8119 -18.0126 -7.14355 -18.0127 5.34863 GPRESSAVG: 2595200 6.13508 -25.3465 -7.3697 -24.1521 -15.9406 -18.7 -7.38316 -17.9043 5.51676 TIMING: 2595200 CPU: 8274.76, 0.00310213/step Wall: 8274.76, 0.00310213/step, 2.07222 hours remaining, 242.675781 MB of memory in use. ENERGY: 2595200 4013.6450 20720.1938 14465.7436 259.1058 -203394.0368 2594.7182 0.0000 0.0000 52133.4708 -109207.1596 299.6118 -161340.6304 -108850.1059 299.7868 40.0921 69.1628 761599.3503 -1.1336 -1.4296 PRESSURE: 2595400 -264.855 29.2822 -95.4242 29.2818 -100.682 -170.66 -95.425 -170.66 -139.292 GPRESSURE: 2595400 -191.703 -0.725403 -95.8283 6.32058 -108.054 -107.025 -25.4476 -199.611 -115.622 PRESSAVG: 2595400 56.2516 2.92995 -12.7134 2.92999 -47.8994 -55.476 -12.7135 -55.4761 10.3164 GPRESSAVG: 2595400 55.947 0.778214 -14.0788 1.35753 -47.3211 -53.9209 -10.4535 -57.3478 9.90574 TIMING: 2595400 CPU: 8275.39, 0.00311582/step Wall: 8275.39, 0.00311582/step, 2.08119 hours remaining, 242.675781 MB of memory in use. ENERGY: 2595400 3951.4431 20664.4826 14442.6867 264.6656 -203160.0741 2395.2334 0.0000 0.0000 52044.7758 -109396.7868 299.1020 -161441.5627 -109025.7881 299.5727 -168.2766 -138.4599 762124.9807 6.2229 6.1772 PRESSURE: 2595600 122.798 -86.6337 25.6163 -86.6336 -57.4553 -55.9735 25.6162 -55.973 77.5792 GPRESSURE: 2595600 96.7258 27.3062 -22.357 -259.664 -15.9766 -9.75331 34.2469 76.7236 157.454 PRESSAVG: 2595600 52.5488 -44.8842 -8.51173 -44.8841 -64.5239 -16.9692 -8.51175 -16.9692 2.61849 GPRESSAVG: 2595600 51.3274 -41.3427 -7.47651 -43.8491 -64.3491 -18.1715 -8.26562 -16.7214 3.39171 TIMING: 2595600 CPU: 8276.02, 0.00313502/step Wall: 8276.02, 0.00313502/step, 2.09384 hours remaining, 242.675781 MB of memory in use. ENERGY: 2595600 3976.0680 20426.6987 14506.2918 231.9013 -203717.6886 2802.3092 0.0000 0.0000 52400.4700 -109373.9496 301.1462 -161774.4196 -109009.0723 299.6691 47.6408 79.4010 759850.6321 -3.1189 -3.2100 PRESSURE: 2595800 84.8867 -99.1387 273.576 -99.1393 -27.1653 -70.4826 273.575 -70.4824 288.423 GPRESSURE: 2595800 128.699 -15.9968 323.425 -14.0508 -18.1463 -60.8854 263.804 -75.8597 324.544 PRESSAVG: 2595800 64.3674 1.26203 0.5064 1.26205 -4.7558 19.2368 0.506463 19.2368 27.6219 GPRESSAVG: 2595800 64.8891 -0.0649563 0.0459493 2.26795 -6.17395 18.2716 -0.259755 20.4993 27.9916 TIMING: 2595800 CPU: 8276.64, 0.00310856/step Wall: 8276.64, 0.00310856/step, 2.076 hours remaining, 242.675781 MB of memory in use. ENERGY: 2595800 4006.9735 20459.2294 14514.0438 242.0060 -203840.4437 3016.3315 0.0000 0.0000 52315.0324 -109286.8270 300.6552 -161601.8594 -108916.6791 299.8251 115.3813 145.0322 761267.0930 29.0778 28.9022 PRESSURE: 2596000 133.19 31.0537 -82.8982 31.0544 -229.727 -51.4743 -82.898 -51.4741 -334.862 GPRESSURE: 2596000 63.3689 72.1146 19.9355 0.902548 -129.674 -21.2763 11.9105 -185.225 -250.738 PRESSAVG: 2596000 -11.5264 1.79941 39.3596 1.79932 -34.0603 8.83767 39.3596 8.83764 1.65355 GPRESSAVG: 2596000 -10.6994 0.498202 39.2399 2.30231 -34.2446 10.1788 39.7961 8.76603 1.32949 TIMING: 2596000 CPU: 8277.26, 0.00311881/step Wall: 8277.26, 0.00311881/step, 2.08267 hours remaining, 242.675781 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: 2596000 4056.7206 20449.4530 14497.8132 272.2260 -203086.9270 2325.6588 0.0000 0.0000 52336.4807 -109148.5747 300.7785 -161485.0555 -108784.6440 299.6737 -143.7997 -105.6812 761349.2174 -14.6444 -14.5382 PRESSURE: 2596200 135.596 262.738 -83.6893 262.739 164.001 117.807 -83.6897 117.807 485 GPRESSURE: 2596200 195.118 136.194 -104.724 192.492 298.557 134.132 -61.5294 74.4897 389.964 PRESSAVG: 2596200 31.5712 -34.776 -29.9195 -34.776 -9.32999 -34.8619 -29.9194 -34.8619 -7.22888 GPRESSAVG: 2596200 29.9878 -34.038 -28.5632 -34.451 -7.3538 -36.1094 -28.5545 -35.133 -7.92421 TIMING: 2596200 CPU: 8277.88, 0.00310581/step Wall: 8277.88, 0.00310581/step, 2.07382 hours remaining, 242.675781 MB of memory in use. ENERGY: 2596200 4013.2626 20498.7536 14535.0649 249.7945 -203789.0315 2995.2400 0.0000 0.0000 52425.7818 -109071.1341 301.2917 -161496.9159 -108692.0075 300.3001 261.5323 294.5467 761625.7217 5.0041 4.9033 LDB: ============= START OF LOAD BALANCING ============== 8290.33 LDB: ============== END OF LOAD BALANCING =============== 8290.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8290.33 LDB: ============= START OF LOAD BALANCING ============== 8290.64 LDB: Largest compute 7034 load 0.033471 is 17.1% of average load 0.195364 LDB: Average compute 0.004381 is 2.2% of average load 0.195364 LDB: TIME 8290.64 LOAD: AVG 0.195364 MAX 0.21396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.059 MB LDB: TIME 8290.65 LOAD: AVG 0.195364 MAX 0.21396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.059 MB LDB: TIME 8290.65 LOAD: AVG 0.195364 MAX 0.21396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.059 MB LDB: ============== END OF LOAD BALANCING =============== 8290.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8290.65 PRESSURE: 2596400 -10.406 -152.748 -69.6045 -152.749 404.99 -41.6666 -69.6039 -41.6649 -196.962 GPRESSURE: 2596400 50.0041 -130.435 -54.1858 -60.5788 330.681 -38.6154 -159.472 -85.2803 -99.7445 PRESSAVG: 2596400 -3.88236 10.681 -17.5289 10.6811 54.671 19.106 -17.529 19.1059 -15.423 GPRESSAVG: 2596400 -4.2212 12.3888 -18.6498 10.5557 54.1704 19.0373 -19.4931 19.278 -14.5765 TIMING: 2596400 CPU: 8278.52, 0.00317287/step Wall: 8278.52, 0.00317287/step, 2.11842 hours remaining, 239.894531 MB of memory in use. ENERGY: 2596400 3974.1741 20710.6120 14511.4285 246.6597 -203597.1111 2797.0124 0.0000 0.0000 52363.4981 -108993.7263 300.9337 -161357.2244 -108632.6549 300.0645 65.8739 93.6469 763405.9670 11.7885 11.7909 PRESSURE: 2596600 91.548 -189.157 -94.4354 -189.156 -487.198 108.773 -94.4355 108.774 -223.012 GPRESSURE: 2596600 -22.9811 -226.811 -68.1063 -129.978 -272.089 80.0552 -144.963 63.6906 -236.097 PRESSAVG: 2596600 50.0483 -9.24104 -76.8908 -9.24106 -68.2 59.1811 -76.8909 59.181 -24.307 GPRESSAVG: 2596600 49.7736 -10.4708 -77.9419 -9.86813 -67.7042 61.099 -75.6625 59.5941 -24.2155 TIMING: 2596600 CPU: 8279.15, 0.00314729/step Wall: 8279.15, 0.00314729/step, 2.10116 hours remaining, 239.894531 MB of memory in use. ENERGY: 2596600 4015.3322 20770.1794 14516.5174 250.9918 -203230.7070 2712.6781 0.0000 0.0000 51961.1158 -109003.8922 298.6212 -160965.0081 -108646.9152 299.9323 -206.2207 -177.0559 762422.4894 -14.1529 -14.0487 PRESSURE: 2596800 70.896 10.7679 57.567 10.7674 -371.545 19.5657 57.5672 19.5661 -464.563 GPRESSURE: 2596800 125.827 -23.6239 -20.7095 20.5913 -358.308 -24.6039 35.4586 136.266 -424.337 PRESSAVG: 2596800 61.1426 -33.8751 -15.8091 -33.875 -41.5739 18.211 -15.8092 18.2111 9.65225 GPRESSAVG: 2596800 62.7673 -34.2144 -14.6557 -33.0775 -42.1816 17.55 -13.8873 16.958 8.84457 TIMING: 2596800 CPU: 8279.77, 0.00313219/step Wall: 8279.77, 0.00313219/step, 2.09091 hours remaining, 239.894531 MB of memory in use. ENERGY: 2596800 4080.8278 20611.1189 14460.9966 258.2380 -203085.8974 2535.0151 0.0000 0.0000 51936.0728 -109203.6282 298.4773 -161139.7010 -108837.4883 299.5251 -255.0707 -218.9394 762169.6101 9.7403 9.8101 PRESSURE: 2597000 -90.2184 67.8884 232.165 67.8889 -217.018 -91.4612 232.165 -91.4607 -16.4182 GPRESSURE: 2597000 -28.1353 11.1264 171.761 99.4862 -208.473 -20.344 128.625 -59.528 1.83892 PRESSAVG: 2597000 51.9999 -31.4886 -27.5397 -31.4885 -66.2615 -17.1646 -27.5396 -17.1647 25.9088 GPRESSAVG: 2597000 52.0038 -31.804 -27.3944 -32.8667 -67.6929 -16.8938 -30.2325 -16.0025 27.2618 TIMING: 2597000 CPU: 8280.4, 0.00312031/step Wall: 8280.4, 0.00312031/step, 2.08281 hours remaining, 239.894531 MB of memory in use. ENERGY: 2597000 4010.7443 20623.9848 14439.6847 244.7967 -203457.5556 2496.5922 0.0000 0.0000 52333.2267 -109308.5262 300.7598 -161641.7528 -108943.8809 299.5117 -107.8850 -78.2566 760648.1957 3.8824 3.8576 PRESSURE: 2597200 -187.961 39.3667 63.863 39.3662 178.867 -0.742069 63.8632 -0.74268 202.127 GPRESSURE: 2597200 -148.408 -46.4812 5.06353 102.65 253.077 -13.5697 17.5765 17.6554 183.823 PRESSAVG: 2597200 33.1826 -1.86346 6.59147 -1.86347 -24.7249 -46.839 6.59149 -46.839 5.11871 GPRESSAVG: 2597200 33.6815 -1.04967 6.35238 -2.47343 -25.2254 -48.0767 6.87302 -47.0028 5.03951 TIMING: 2597200 CPU: 8281.02, 0.00313203/step Wall: 8281.02, 0.00313203/step, 2.09046 hours remaining, 239.894531 MB of memory in use. ENERGY: 2597200 3985.4983 20485.1200 14454.0510 225.7368 -203620.5713 2761.2615 0.0000 0.0000 52359.1855 -109349.7183 300.9090 -161708.9037 -108979.2818 299.0583 64.3445 96.1640 761790.5329 4.5255 4.4985 PRESSURE: 2597400 313.53 -20.6357 6.89363 -20.6359 -156.896 13.8186 6.8932 13.8185 362.565 GPRESSURE: 2597400 278.133 -87.4495 4.91641 -21.4391 -72.7434 -34.0549 -68.7661 87.0258 379.379 PRESSAVG: 2597400 95.3183 -72.3962 13.6499 -72.3961 -48.0169 -14.316 13.6498 -14.316 5.31126 GPRESSAVG: 2597400 93.9861 -74.1662 13.4937 -70.6032 -46.6853 -13.3745 13.9759 -16.5834 4.78676 TIMING: 2597400 CPU: 8281.65, 0.00311877/step Wall: 8281.65, 0.00311877/step, 2.08143 hours remaining, 239.894531 MB of memory in use. ENERGY: 2597400 3937.7975 20621.7418 14425.4120 223.2911 -203762.0001 2897.0128 0.0000 0.0000 52207.9027 -109448.8423 300.0395 -161656.7450 -109087.6512 299.2590 173.0663 194.9229 762737.8017 17.5376 17.3625 PRESSURE: 2597600 478.512 -160.432 58.2206 -160.432 81.4054 53.9884 58.2205 53.9883 90.1021 GPRESSURE: 2597600 475.465 -52.7465 43.8191 -184.685 106.049 -4.01752 112.276 56.554 137.536 PRESSAVG: 2597600 14.828 -67.7871 -40.0114 -67.7871 -11.9509 -69.5436 -40.0114 -69.5436 2.30382 GPRESSAVG: 2597600 15.2632 -64.9841 -37.5091 -68.441 -12.1196 -69.4595 -39.453 -68.2259 2.72175 TIMING: 2597600 CPU: 8282.27, 0.00313419/step Wall: 8282.27, 0.00313419/step, 2.09155 hours remaining, 239.894531 MB of memory in use. ENERGY: 2597600 3846.2241 20556.9119 14507.5627 272.0083 -203594.2518 2842.1967 0.0000 0.0000 52278.9922 -109290.3559 300.4481 -161569.3481 -108918.5075 299.0181 216.6733 239.6834 762594.4237 1.7270 1.9551 PRESSURE: 2597800 -264.514 -18.1973 -132.587 -18.1979 -144.187 148.488 -132.587 148.488 271.974 GPRESSURE: 2597800 -122.106 -2.11517 -160.856 109.592 -191.439 109.701 -70.4775 79.5741 266.885 PRESSAVG: 2597800 -5.83577 21.9908 -16.1501 21.9908 2.97707 -20.4056 -16.1501 -20.4056 6.37666 GPRESSAVG: 2597800 -5.28762 20.973 -18.1124 20.8999 4.34136 -22.109 -14.9147 -17.8628 4.38513 TIMING: 2597800 CPU: 8282.9, 0.00311462/step Wall: 8282.9, 0.00311462/step, 2.07831 hours remaining, 239.894531 MB of memory in use. ENERGY: 2597800 3974.2437 20434.5354 14486.6627 268.6680 -203407.4251 2681.9128 0.0000 0.0000 52084.8655 -109476.5369 299.3324 -161561.4024 -109106.7504 299.4112 -45.5753 -15.5532 762366.1748 1.1727 1.1463 PRESSURE: 2598000 14.2925 118.345 48.1568 118.345 -200.748 -69.834 48.1565 -69.8336 37.5513 GPRESSURE: 2598000 -36.568 112.982 16.9485 95.0424 -64.0436 -12.9154 25.627 -119.793 54.2413 PRESSAVG: 2598000 48.1285 -47.6782 -4.00649 -47.6782 -48.0402 6.36054 -4.00653 6.36052 32.6901 GPRESSAVG: 2598000 46.9981 -47.9178 -3.7609 -47.9067 -47.9396 9.31028 -6.32244 3.75355 33.5575 TIMING: 2598000 CPU: 8283.52, 0.00310408/step Wall: 8283.52, 0.00310408/step, 2.07111 hours remaining, 239.894531 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: 2598000 4051.8161 20426.9290 14481.8230 228.0309 -203548.1460 2749.4456 0.0000 0.0000 52020.7894 -109589.3120 298.9642 -161610.1013 -109223.6772 298.8600 -49.6347 -15.4568 760679.1681 10.9261 10.8720 PRESSURE: 2598200 -60.3542 -144.588 -48.679 -144.588 -11.68 -137.947 -48.6791 -137.946 -329.437 GPRESSURE: 2598200 -158.048 -110.926 -68.8342 -137.831 64.9175 -114.421 104.362 6.85391 -232.322 PRESSAVG: 2598200 6.05901 -2.56446 -8.69693 -2.56451 -26.0445 0.871699 -8.69705 0.871667 6.68763 GPRESSAVG: 2598200 5.37989 -2.60099 -7.7253 -2.06768 -26.1645 -1.12056 -8.15106 2.11725 7.53427 TIMING: 2598200 CPU: 8284.14, 0.0031219/step Wall: 8284.14, 0.0031219/step, 2.08282 hours remaining, 239.894531 MB of memory in use. ENERGY: 2598200 4049.1567 20372.4717 14478.1225 248.8713 -203488.1571 2571.0895 0.0000 0.0000 52115.6597 -109652.7857 299.5094 -161768.4454 -109295.8174 298.6661 -133.8238 -108.4843 763657.7875 -4.4326 -4.4168 PRESSURE: 2598400 19.5185 -242.004 221.053 -242.005 27.6459 48.3715 221.053 48.3739 -118.362 GPRESSURE: 2598400 58.4588 -169.664 158.126 -294.005 122.773 38.384 269.225 -27.0365 -152.752 PRESSAVG: 2598400 14.4816 -70.2167 21.1846 -70.2167 -57.7026 -28.6944 21.1847 -28.6944 -20.3648 GPRESSAVG: 2598400 16.0209 -69.288 19.6441 -70.4313 -59.2726 -27.6241 20.7212 -28.4081 -20.8216 TIMING: 2598400 CPU: 8284.77, 0.00312456/step Wall: 8284.77, 0.00312456/step, 2.08443 hours remaining, 239.894531 MB of memory in use. ENERGY: 2598400 4059.9582 20386.7938 14441.5018 240.8162 -203900.1713 2984.8063 0.0000 0.0000 51987.0092 -109799.2858 298.7701 -161786.2950 -109433.6887 298.6733 -23.7324 9.4931 760245.2314 -21.1953 -21.3578 PRESSURE: 2598600 49.3325 170.893 66.9697 170.893 203.584 52.8548 66.9704 52.8542 84.7938 GPRESSURE: 2598600 107.701 185.57 68.6232 115.694 179.124 3.13547 145.973 114.906 141.023 PRESSAVG: 2598600 -11.2016 -10.7885 53.8493 -10.7885 -0.147574 -29.1832 53.8492 -29.1832 20.8118 GPRESSAVG: 2598600 -12.3467 -10.9037 53.9412 -8.63494 1.73037 -28.9775 55.6759 -30.0162 20.3634 TIMING: 2598600 CPU: 8285.39, 0.00310453/step Wall: 8285.39, 0.00310453/step, 2.0709 hours remaining, 239.894531 MB of memory in use. ENERGY: 2598600 3853.0858 20522.3062 14419.4636 246.9738 -203135.8101 2417.0575 0.0000 0.0000 51995.7824 -109681.1408 298.8205 -161676.9232 -109322.0030 298.5529 112.5702 142.6159 762527.8406 3.1542 3.2491 PRESSURE: 2598800 245.097 -64.5222 -156.663 -64.5229 -97.5878 -54.7704 -156.663 -54.7712 -90.6811 GPRESSURE: 2598800 294.766 -50.9698 -147.177 -212.248 -95.1413 2.25946 -35.3095 -32.6911 -54.6635 PRESSAVG: 2598800 101.997 -44.4983 -15.5724 -44.4983 -88.2745 2.71708 -15.5724 2.71711 -15.4216 GPRESSAVG: 2598800 103.182 -46.0661 -14.8952 -44.8692 -88.712 2.82695 -17.1007 4.13206 -15.4225 TIMING: 2598800 CPU: 8286.01, 0.00310305/step Wall: 8286.01, 0.00310305/step, 2.06974 hours remaining, 239.894531 MB of memory in use. ENERGY: 2598800 3968.2907 20518.1249 14457.4228 246.5105 -203570.5104 2775.6436 0.0000 0.0000 51629.0342 -109975.4838 296.7128 -161604.5180 -109611.0415 298.6465 18.9427 48.3205 761249.2202 -0.5665 -0.3174 PRESSURE: 2599000 -58.2669 -9.38696 178.565 -9.38685 -28.4439 185.042 178.564 185.041 -178.429 GPRESSURE: 2599000 -70.163 166.406 103.91 -69.874 12.5608 221.305 36.2288 154.077 -133.861 PRESSAVG: 2599000 28.8235 -25.6219 2.72551 -25.6219 -27.2502 5.11726 2.72551 5.11725 4.12037 GPRESSAVG: 2599000 28.5522 -23.9471 3.01515 -26.5575 -27.5011 3.70352 2.48779 3.408 4.47802 TIMING: 2599000 CPU: 8286.63, 0.00310842/step Wall: 8286.63, 0.00310842/step, 2.07314 hours remaining, 239.894531 MB of memory in use. ENERGY: 2599000 4052.1671 20399.2452 14483.4733 220.0179 -203535.3870 2555.5980 0.0000 0.0000 51777.7585 -110047.1270 297.5675 -161824.8855 -109681.9001 298.1905 -88.3800 -63.8212 761464.2521 1.8979 1.8430 PRESSURE: 2599200 -256.891 -139.019 154.911 -139.019 -22.6486 -73.7862 154.91 -73.7857 -273.325 GPRESSURE: 2599200 -153.425 16.4495 264.328 -235.041 -59.5633 -105.962 79.399 -50.6835 -251.958 PRESSAVG: 2599200 -23.1627 -55.0413 21.2856 -55.0413 -33.1355 1.76696 21.2856 1.76697 24.9034 GPRESSAVG: 2599200 -22.7738 -56.2356 20.1469 -54.8296 -33.7838 2.43309 23.4115 2.77082 24.709 TIMING: 2599200 CPU: 8287.25, 0.00311312/step Wall: 8287.25, 0.00311312/step, 2.0761 hours remaining, 239.894531 MB of memory in use. ENERGY: 2599200 3973.9578 20494.3548 14437.2047 237.4832 -203671.9903 2656.4262 0.0000 0.0000 51793.1818 -110079.3819 297.6561 -161872.5636 -109706.0799 298.0278 -184.2880 -154.9819 760292.2301 -10.4649 -10.6162 PRESSURE: 2599400 16.472 -261.583 55.2021 -261.583 -495.094 -91.9456 55.2032 -91.9452 -116.606 GPRESSURE: 2599400 8.4523 -166.016 94.5893 -246.672 -315.748 -85.1497 3.35984 -88.3521 -193.493 PRESSAVG: 2599400 51.2764 -46.2634 -21.3607 -46.2633 -50.2509 24.6669 -21.3607 24.6669 -5.11586 GPRESSAVG: 2599400 50.5768 -44.6529 -21.1474 -46.3389 -49.0512 23.541 -23.0599 25.5032 -5.40663 TIMING: 2599400 CPU: 8287.87, 0.00309742/step Wall: 8287.87, 0.00309742/step, 2.06546 hours remaining, 239.894531 MB of memory in use. ENERGY: 2599400 3973.8281 20577.1824 14433.6925 253.4663 -203342.8543 2368.7604 0.0000 0.0000 52099.6260 -109636.2986 299.4173 -161735.9246 -109275.0193 298.6917 -198.4093 -166.9297 761815.1918 -1.3635 -1.2937 PRESSURE: 2599600 251.778 72.157 -29.8582 72.1574 74.3077 14.0095 -29.8578 14.0089 227.097 GPRESSURE: 2599600 245.141 12.1411 -49.707 58.8096 131.767 -24.9708 -26.9721 55.8554 262.98 PRESSAVG: 2599600 -46.5673 -21.7962 11.7004 -21.7961 55.771 -37.0683 11.7004 -37.0683 -17.1832 GPRESSAVG: 2599600 -47.156 -23.2803 12.0534 -19.9531 54.9685 -36.8594 9.24448 -37.2085 -15.6715 TIMING: 2599600 CPU: 8288.49, 0.00310421/step Wall: 8288.49, 0.00310421/step, 2.06982 hours remaining, 239.894531 MB of memory in use. ENERGY: 2599600 3945.2060 20557.5261 14361.2651 258.7160 -203797.7799 2724.0838 0.0000 0.0000 52071.7466 -109879.2364 299.2570 -161950.9830 -109499.5424 298.6835 184.3942 213.2960 761045.1189 -2.6598 -2.6197 PRESSURE: 2599800 -382.122 142.473 -111.465 142.472 -135.77 -40.2537 -111.466 -40.2537 22.5309 GPRESSURE: 2599800 -380.4 136.999 -59.9264 220.078 -79.071 -63.5116 -32.9006 69.536 42.295 PRESSAVG: 2599800 -4.34183 -7.2069 18.8675 -7.20683 -16.4123 -5.61032 18.8674 -5.61037 9.26003 GPRESSAVG: 2599800 -3.75206 -7.55197 19.7766 -7.21673 -15.669 -5.92913 19.7094 -4.62655 7.63752 TIMING: 2599800 CPU: 8289.12, 0.00313486/step Wall: 8289.12, 0.00313486/step, 2.09008 hours remaining, 239.894531 MB of memory in use. ENERGY: 2599800 4027.0190 20610.6556 14429.7912 245.2803 -203328.5062 2303.0150 0.0000 0.0000 51874.3274 -109838.4177 298.1225 -161712.7451 -109483.1831 298.8090 -165.1204 -139.0585 760592.3950 -3.8314 -3.9278 PRESSURE: 2600000 -186.548 -161.713 -289.591 -161.713 -188.756 -141.834 -289.592 -141.834 -158.794 GPRESSURE: 2600000 -124.498 -96.5729 -327.865 -172.638 -142.57 -123.881 -310.417 -225.864 -198.031 PRESSAVG: 2600000 -36.1812 30.9676 3.41779 30.9677 38.7124 -21.7242 3.41778 -21.7242 8.88836 GPRESSAVG: 2600000 -35.22 32.3372 2.77203 30.1553 38.1767 -20.8859 4.67779 -22.9238 8.39843 TIMING: 2600000 CPU: 8289.74, 0.00312106/step Wall: 8289.74, 0.00312106/step, 2.08071 hours remaining, 239.894531 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: 2600000 4039.4109 20593.4149 14505.8637 251.8767 -203421.2584 2412.4784 0.0000 0.0000 51925.2268 -109692.9870 298.4150 -161618.2138 -109333.1117 298.8274 -178.0327 -155.0331 760962.0375 3.8065 3.7850 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600200 -84.9433 -33.5041 -212.802 -33.5047 172.224 -66.2078 -212.802 -66.2082 27.6241 GPRESSURE: 2600200 -14.0402 -13.7731 -265.766 36.8789 184.867 4.71755 -228.247 -128.653 45.7027 PRESSAVG: 2600200 35.0434 -41.151 -80.6761 -41.151 -5.88483 3.58114 -80.6761 3.58116 -19.948 GPRESSAVG: 2600200 34.969 -42.394 -80.5614 -40.6293 -6.04058 4.0458 -79.3899 1.14282 -19.098 TIMING: 2600200 CPU: 8290.39, 0.00324465/step Wall: 8290.39, 0.00324465/step, 2.16292 hours remaining, 239.894531 MB of memory in use. ENERGY: 2600200 3972.0286 20500.4950 14455.7268 253.7034 -204098.5148 2892.2497 0.0000 0.0000 52307.0057 -109717.3057 300.6091 -162024.3114 -109356.8219 298.7495 38.3015 72.1764 761048.4568 3.0702 3.2768 LDB: ============= START OF LOAD BALANCING ============== 8302.84 LDB: ============== END OF LOAD BALANCING =============== 8302.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8302.84 LDB: ============= START OF LOAD BALANCING ============== 8303.16 LDB: Largest compute 7026 load 0.033004 is 16.9% of average load 0.195402 LDB: Average compute 0.004381 is 2.2% of average load 0.195402 LDB: TIME 8303.16 LOAD: AVG 0.195402 MAX 0.21574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.434 MB LDB: TIME 8303.16 LOAD: AVG 0.195402 MAX 0.21574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: TIME 8303.16 LOAD: AVG 0.195402 MAX 0.21574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: ============== END OF LOAD BALANCING =============== 8303.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8303.17 PRESSURE: 2600400 -14.5852 84.3622 21.4054 84.3631 -388.113 -37.983 21.4064 -37.9822 -33.4344 GPRESSURE: 2600400 9.79674 25.1705 -19.9739 -101.697 -360.92 -33.7882 -107.305 63.2824 -18.5967 PRESSAVG: 2600400 -1.17294 -7.99116 26.6345 -7.99123 -35.1534 5.75788 26.6346 5.75801 7.86397 GPRESSAVG: 2600400 -1.45318 -7.94508 27.9479 -11.5687 -34.635 4.41199 23.2764 9.21356 7.54649 TIMING: 2600400 CPU: 8291.03, 0.00319257/step Wall: 8291.03, 0.00319257/step, 2.12803 hours remaining, 241.234375 MB of memory in use. ENERGY: 2600400 4021.0824 20625.1072 14382.8918 244.7243 -203320.9359 2323.9501 0.0000 0.0000 51865.4111 -109857.7690 298.0712 -161723.1801 -109494.9355 298.7144 -145.3777 -123.2399 761470.1129 -9.4875 -9.5139 PRESSURE: 2600600 -71.4404 5.76735 48.0704 5.7673 -123.213 -109.815 48.0705 -109.815 -374.234 GPRESSURE: 2600600 -109.969 117.662 -1.50252 54.035 -145.073 -241.139 136.005 90.6838 -248.635 PRESSAVG: 2600600 -5.1824 19.5722 -38.8637 19.5722 -25.248 49.7838 -38.8637 49.7838 6.85085 GPRESSAVG: 2600600 -4.31802 18.6817 -40.8183 23.1584 -26.5843 49.8502 -36.9162 50.5836 7.41411 TIMING: 2600600 CPU: 8291.65, 0.00311321/step Wall: 8291.65, 0.00311321/step, 2.07495 hours remaining, 241.234375 MB of memory in use. ENERGY: 2600600 4030.6600 20496.6751 14508.2981 248.4052 -203505.4068 2539.2953 0.0000 0.0000 51867.4050 -109814.6681 298.0827 -161682.0732 -109454.4773 298.7984 -189.6290 -167.8924 761058.6339 -7.8598 -7.8294 PRESSURE: 2600800 37.1944 92.9552 -26.2821 92.9548 248.695 -24.9571 -26.283 -24.958 264.331 GPRESSURE: 2600800 107.12 170.234 15.4338 70.4227 291.693 -46.1152 -6.10169 -84.7871 238.763 PRESSAVG: 2600800 19.8837 57.593 -20.97 57.5931 -30.7678 17.349 -20.97 17.349 24.1421 GPRESSAVG: 2600800 20.1678 60.2962 -18.1772 55.7476 -30.0545 17.537 -22.9139 15.5697 23.5325 TIMING: 2600800 CPU: 8292.27, 0.00309729/step Wall: 8292.27, 0.00309729/step, 2.06417 hours remaining, 241.234375 MB of memory in use. ENERGY: 2600800 4013.9014 20490.2317 14369.5646 265.6881 -204055.5603 3172.7035 0.0000 0.0000 51993.9295 -109749.5415 298.8098 -161743.4711 -109387.1488 298.7814 183.4068 212.5251 761465.5026 4.4193 4.5486 PRESSURE: 2601000 1.53438 119.396 -125.755 119.396 -114.27 -72.5953 -125.755 -72.5946 -208.091 GPRESSURE: 2601000 5.67394 -0.202336 -208.125 129.484 -47.6589 -61.5346 -121.444 -122.22 -214.972 PRESSAVG: 2601000 19.6592 35.5355 -42.8522 35.5355 -42.8932 34.5629 -42.8522 34.563 -0.756871 GPRESSAVG: 2601000 17.962 33.9397 -44.897 37.2306 -42.1534 34.781 -41.0412 34.672 -0.590073 TIMING: 2601000 CPU: 8292.9, 0.00311564/step Wall: 8292.9, 0.00311564/step, 2.07623 hours remaining, 241.234375 MB of memory in use. ENERGY: 2601000 3994.7455 20675.5351 14418.8193 245.2671 -203855.5044 2817.2179 0.0000 0.0000 51935.7320 -109768.1874 298.4754 -161703.9194 -109411.5195 298.6547 -106.9424 -85.6525 761372.0750 -7.9969 -8.2605 PRESSURE: 2601200 99.3584 -23.621 -95.3887 -23.6212 79.5437 -87.9865 -95.3882 -87.9862 146.837 GPRESSURE: 2601200 206.935 -46.8622 -133.731 -42.7966 83.7191 -132.982 -93.627 -105.958 146.826 PRESSAVG: 2601200 54.8204 15.0231 15.4217 15.0231 -74.2417 6.42363 15.4218 6.42365 -4.63452 GPRESSAVG: 2601200 54.6499 14.4089 14.6133 13.7746 -73.9391 6.49223 15.8035 4.87203 -5.44258 TIMING: 2601200 CPU: 8293.52, 0.0031121/step Wall: 8293.52, 0.0031121/step, 2.0737 hours remaining, 241.234375 MB of memory in use. ENERGY: 2601200 4017.4412 20448.7705 14385.9959 246.4980 -203574.2652 2643.0789 0.0000 0.0000 52161.4337 -109671.0469 299.7725 -161832.4806 -109312.3139 299.0773 108.5798 145.8267 762151.2973 -8.0186 -8.2439 PRESSURE: 2601400 -470.271 41.4681 127.928 41.468 -224.453 -192.22 127.928 -192.221 -46.5805 GPRESSURE: 2601400 -357.798 20.1831 153.667 -5.61205 -169.873 -60.7137 162.822 -244.859 -117.393 PRESSAVG: 2601400 20.568 -22.815 19.465 -22.8151 -23.8363 45.3989 19.4651 45.3989 10.858 GPRESSAVG: 2601400 22.3212 -22.2742 20.6059 -23.0269 -25.8075 46.9086 19.2268 45.6057 10.799 TIMING: 2601400 CPU: 8294.14, 0.00311692/step Wall: 8294.14, 0.00311692/step, 2.07674 hours remaining, 241.234375 MB of memory in use. ENERGY: 2601400 3992.2480 20406.7739 14453.6880 248.1476 -203172.1708 2320.9303 0.0000 0.0000 51858.8661 -109891.5169 298.0336 -161750.3829 -109529.2717 299.0301 -247.1016 -215.0211 761178.3787 2.5299 2.4376 PRESSURE: 2601600 -380.241 -138.891 -49.337 -138.89 -59.3631 -106.693 -49.3373 -106.692 -129.108 GPRESSURE: 2601600 -353.237 -75.0443 -96.5088 -194.488 23.5705 -99.4235 59.1999 72.0279 -158.811 PRESSAVG: 2601600 -20.7566 -49.0873 2.82431 -49.0873 49.7594 6.18916 2.82435 6.18921 16.6123 GPRESSAVG: 2601600 -23.5533 -48.5099 3.22558 -46.7251 50.7262 4.98851 4.15761 9.67174 18.039 TIMING: 2601600 CPU: 8294.76, 0.00310077/step Wall: 8294.76, 0.00310077/step, 2.0658 hours remaining, 241.234375 MB of memory in use. ENERGY: 2601600 4020.7281 20455.5032 14432.7546 241.0878 -203861.5243 2716.9624 0.0000 0.0000 51909.4939 -110084.9944 298.3246 -161994.4882 -109722.6075 298.2082 -189.5706 -162.8257 763260.5928 15.2050 15.0706 PRESSURE: 2601800 -279.806 16.652 -109.052 16.6515 -112.349 270.661 -109.052 270.659 -246.549 GPRESSURE: 2601800 -213.672 -4.19545 -185.995 106.036 -121.679 305.977 -86.9097 63.1744 -258.569 PRESSAVG: 2601800 -121.681 -13.93 -21.3876 -13.93 88.3754 1.30519 -21.3876 1.30524 -19.0498 GPRESSAVG: 2601800 -120.443 -13.3338 -22.3527 -15.0651 88.0901 2.37905 -22.3821 0.0902549 -20.2757 TIMING: 2601800 CPU: 8295.38, 0.00310165/step Wall: 8295.38, 0.00310165/step, 2.06622 hours remaining, 241.234375 MB of memory in use. ENERGY: 2601800 4007.9485 20535.7010 14408.1366 277.9355 -203952.2334 2834.1006 0.0000 0.0000 51757.0066 -110131.4046 297.4482 -161888.4113 -109769.1487 297.6745 -212.9012 -197.9734 763229.3478 -17.4518 -17.5430 PRESSURE: 2602000 -25.4034 -79.732 -146.672 -79.7313 291.154 242.153 -146.672 242.152 449.887 GPRESSURE: 2602000 39.5569 -105.887 -127.894 -24.3889 265.525 159.91 -52.5493 179.127 475.87 PRESSAVG: 2602000 -53.5397 -50.4534 -52.5261 -50.4534 6.44838 13.1571 -52.5261 13.157 -5.41172 GPRESSAVG: 2602000 -52.5228 -51.9232 -52.616 -49.6619 5.59142 11.7322 -53.4872 12.0708 -5.43719 TIMING: 2602000 CPU: 8296, 0.00310855/step Wall: 8296, 0.00310855/step, 2.07064 hours remaining, 241.234375 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: 2602000 3952.7050 20576.3121 14436.5238 257.6532 -204027.6116 2905.9459 0.0000 0.0000 52063.0799 -109835.3918 299.2072 -161898.4717 -109476.1053 298.4147 238.5457 260.3176 760610.0665 -17.5010 -17.4562 PRESSURE: 2602200 0.256987 -2.75066 -72.868 -2.75077 -242.367 12.1049 -72.8686 12.1047 -198.932 GPRESSURE: 2602200 -13.5835 -114.318 -114.327 73.7857 -147.983 20.8867 -139.217 121.504 -190.231 PRESSAVG: 2602200 -60.7997 18.4078 -18.0699 18.4078 40.6589 0.897235 -18.0699 0.897241 14.0856 GPRESSAVG: 2602200 -62.654 16.097 -18.5465 18.6721 40.9197 1.03329 -19.055 0.796103 15.2507 TIMING: 2602200 CPU: 8296.63, 0.00311991/step Wall: 8296.63, 0.00311991/step, 2.07803 hours remaining, 241.234375 MB of memory in use. ENERGY: 2602200 4021.3731 20599.8922 14432.2228 268.6917 -203795.2230 2731.5465 0.0000 0.0000 51898.7070 -109842.7897 298.2626 -161741.4966 -109486.9043 298.7031 -147.0140 -117.2656 761486.5299 -2.0184 -2.1612 PRESSURE: 2602400 58.689 -70.3362 139.237 -70.3362 244.087 99.7881 139.236 99.7868 -83.1045 GPRESSURE: 2602400 109.735 -177.722 153.542 0.412816 187.944 199.298 184.44 114.405 4.49419 PRESSAVG: 2602400 -50.6415 -17.9927 -20.9145 -17.9927 54.4663 13.9043 -20.9145 13.9044 -7.00469 GPRESSAVG: 2602400 -49.9581 -16.9264 -21.8494 -18.3322 54.3877 15.0086 -18.9047 13.4876 -7.67083 TIMING: 2602400 CPU: 8297.26, 0.00313464/step Wall: 8297.26, 0.00313464/step, 2.08767 hours remaining, 241.234375 MB of memory in use. ENERGY: 2602400 4003.8635 20500.5579 14549.5819 267.0038 -203746.0344 2814.2561 0.0000 0.0000 51928.5463 -109682.2250 298.4341 -161610.7713 -109328.2908 298.7795 73.2238 100.7245 760782.3598 -1.0600 -1.0804 PRESSURE: 2602600 25.2631 -96.3374 -35.0338 -96.3376 61.7319 -256.339 -35.033 -256.338 -374.699 GPRESSURE: 2602600 -24.7237 3.6538 -27.0985 -51.3178 107.585 -247.673 -110.459 -159.514 -297.337 PRESSAVG: 2602600 -1.0845 -29.8594 25.9211 -29.8594 -8.50598 -13.9996 25.9212 -13.9996 -6.47072 GPRESSAVG: 2602600 -1.18013 -27.2083 28.698 -31.4441 -8.84518 -13.8022 24.5484 -13.4875 -5.50373 TIMING: 2602600 CPU: 8297.88, 0.00312406/step Wall: 8297.88, 0.00312406/step, 2.08045 hours remaining, 241.234375 MB of memory in use. ENERGY: 2602600 3901.0174 20473.9449 14470.0000 248.0488 -203229.5495 2345.1288 0.0000 0.0000 52153.1963 -109638.2132 299.7251 -161791.4095 -109276.1007 299.0294 -95.9013 -71.4919 761005.3125 -5.3537 -5.1763 PRESSURE: 2602800 -291.488 -46.7973 194.762 -46.7972 -405.761 -8.46448 194.763 -8.46489 294.271 GPRESSURE: 2602800 -200.879 -147.505 141.364 2.62808 -352.412 79.5315 199.801 5.7532 230.624 PRESSAVG: 2602800 1.2129 -4.44355 -27.7698 -4.44355 -3.63732 11.6174 -27.7698 11.6174 19.2811 GPRESSAVG: 2602800 2.18186 -8.4968 -29.8963 -3.56487 -3.32102 11.75 -27.4793 10.5418 18.1118 TIMING: 2602800 CPU: 8298.51, 0.00312996/step Wall: 8298.51, 0.00312996/step, 2.08421 hours remaining, 241.234375 MB of memory in use. ENERGY: 2602800 3932.2659 20459.1301 14393.5548 244.2875 -203288.4130 2543.2459 0.0000 0.0000 52124.7599 -109591.1689 299.5617 -161715.9288 -109216.6563 299.2027 -134.3262 -107.5556 760711.5786 5.6189 5.6575 PRESSURE: 2603000 201.816 -20.0106 -196.356 -20.0119 21.2701 30.6861 -196.356 30.6861 246.783 GPRESSURE: 2603000 159.007 40.5023 -32.3338 -60.8259 108.946 51.0419 -310.765 -108.154 299.295 PRESSAVG: 2603000 17.6237 -62.6121 45.9223 -62.6121 -18.4582 -6.70403 45.9223 -6.70396 -18.0466 GPRESSAVG: 2603000 16.0427 -58.725 47.2159 -62.3553 -17.3576 -6.72722 46.0292 -4.46964 -17.6689 TIMING: 2603000 CPU: 8299.13, 0.00312287/step Wall: 8299.13, 0.00312287/step, 2.07931 hours remaining, 241.234375 MB of memory in use. ENERGY: 2603000 3939.0852 20574.3284 14450.3974 243.3707 -203315.6466 2642.1220 0.0000 0.0000 52139.5285 -109326.8145 299.6466 -161466.3429 -108972.3959 299.3105 156.6228 189.0829 761890.3969 -6.2937 -6.3279 PRESSURE: 2603200 -75.951 -40.8539 -287.762 -40.8533 -58.7537 -109.307 -287.762 -109.306 79.1445 GPRESSURE: 2603200 -7.31492 21.8941 -346.983 40.2811 67.8208 -128.972 -289.847 -147.662 -17.4548 PRESSAVG: 2603200 -13.0498 -58.5385 26.9635 -58.5384 3.89026 8.87245 26.9636 8.87242 3.24008 GPRESSAVG: 2603200 -12.5261 -58.7339 25.9367 -60.5245 3.06504 7.28191 26.4664 9.48826 3.71167 TIMING: 2603200 CPU: 8299.75, 0.0031059/step Wall: 8299.75, 0.0031059/step, 2.06784 hours remaining, 241.234375 MB of memory in use. ENERGY: 2603200 4020.0542 20434.0900 14556.2871 238.6860 -202977.7993 2315.4440 0.0000 0.0000 52055.1617 -109358.0763 299.1617 -161413.2379 -109002.5523 299.4732 -18.5201 14.3504 762069.9472 -1.9732 -1.9165 PRESSURE: 2603400 -137.606 21.7085 188.818 21.7079 -1.4637 -26.9256 188.818 -26.926 319.922 GPRESSURE: 2603400 -105.922 -22.1054 187.188 -91.1239 -3.06202 -115.688 172.267 27.0608 371.872 PRESSAVG: 2603400 25.5866 -26.8882 -0.995395 -26.8882 18.8625 -5.63286 -0.995378 -5.63283 -20.8329 GPRESSAVG: 2603400 26.4872 -28.1123 0.166976 -24.589 17.9708 -5.51962 -0.388442 -7.14134 -20.6279 TIMING: 2603400 CPU: 8300.37, 0.00310916/step Wall: 8300.37, 0.00310916/step, 2.06983 hours remaining, 241.234375 MB of memory in use. ENERGY: 2603400 3988.3209 20442.7429 14551.0387 228.7558 -203659.6706 2964.1271 0.0000 0.0000 52179.3909 -109305.2943 299.8757 -161484.6852 -108952.8435 299.3590 60.2841 87.6293 761965.9171 7.8721 7.9434 PRESSURE: 2603600 80.7438 58.8341 233.662 58.8345 -304.587 -28.4524 233.662 -28.4523 -541.752 GPRESSURE: 2603600 35.3656 28.0234 162.209 58.3198 -303.739 -66.8117 299.966 -52.5234 -445.345 PRESSAVG: 2603600 16.4588 0.0751269 38.8219 0.0751192 -31.4649 -36.0883 38.8218 -36.0883 4.92957 GPRESSAVG: 2603600 15.5823 1.43228 38.5898 -1.80824 -30.4795 -36.7361 39.9903 -36.8165 4.65937 TIMING: 2603600 CPU: 8301, 0.00312179/step Wall: 8301, 0.00312179/step, 2.07807 hours remaining, 241.234375 MB of memory in use. ENERGY: 2603600 3988.0673 20743.9479 14370.6175 242.6264 -202899.2169 2105.3550 0.0000 0.0000 52060.2342 -109388.3685 299.1909 -161448.6027 -109028.9479 299.2547 -255.1986 -237.9061 761765.3477 -3.3588 -3.4126 PRESSURE: 2603800 225.955 47.3575 -218.036 47.3576 16.3709 175.901 -218.037 175.902 -191.702 GPRESSURE: 2603800 227.126 51.5298 -205.442 126.162 10.7105 241.227 -227.868 74.4891 -103.252 PRESSAVG: 2603800 12.0328 -17.3625 -51.9224 -17.3626 -20.7735 43.5936 -51.9224 43.5936 -6.05241 GPRESSAVG: 2603800 11.8949 -17.7244 -51.1091 -15.5598 -20.7764 44.3342 -55.5427 44.6779 -6.32732 TIMING: 2603800 CPU: 8301.62, 0.00312918/step Wall: 8301.62, 0.00312918/step, 2.08281 hours remaining, 241.234375 MB of memory in use. ENERGY: 2603800 3994.0892 20539.3856 14513.9874 242.5748 -203428.1515 2777.3287 0.0000 0.0000 51937.9341 -109422.8516 298.4880 -161360.7857 -109058.5220 298.9725 16.8748 44.8615 761244.5345 -4.9310 -5.0696 PRESSURE: 2604000 -75.8285 -34.5086 74.6761 -34.5077 -153.854 -133.326 74.6775 -133.326 -221.403 GPRESSURE: 2604000 48.2623 -33.0231 74.7805 -61.9268 -201.615 -131.716 140.28 -63.8941 -205.863 PRESSAVG: 2604000 -8.67114 -23.087 1.90252 -23.087 20.902 -34.4528 1.90252 -34.4529 2.95207 GPRESSAVG: 2604000 -7.5259 -21.8204 2.36605 -25.2951 19.9533 -32.6234 5.78559 -37.953 3.16172 TIMING: 2604000 CPU: 8302.25, 0.00311078/step Wall: 8302.25, 0.00311078/step, 2.0704 hours remaining, 241.234375 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: 2604000 3989.3319 20369.0170 14489.2138 242.0683 -202717.1868 2468.7914 0.0000 0.0000 51906.1478 -109252.6166 298.3053 -161158.7644 -108884.4264 299.0721 -150.3619 -119.7385 761307.0372 5.0610 5.1964 PRESSURE: 2604200 -417.157 -40.6715 101.347 -40.6713 -836.201 27.7788 101.348 27.78 82.2912 GPRESSURE: 2604200 -415.466 -15.0578 133.264 -84.7104 -660.746 118.285 -78.1455 -9.15946 5.77478 PRESSAVG: 2604200 -32.595 -53.51 -10.1378 -53.51 6.4997 7.1266 -10.1378 7.12665 2.06601 GPRESSAVG: 2604200 -33.5763 -57.3061 -12.0543 -53.0368 6.10714 6.05692 -12.9441 11.3333 2.98061 TIMING: 2604200 CPU: 8302.87, 0.00311099/step Wall: 8302.87, 0.00311099/step, 2.07037 hours remaining, 241.234375 MB of memory in use. ENERGY: 2604200 4036.4612 20344.1469 14499.1886 258.8400 -202526.5564 1853.6952 0.0000 0.0000 52193.1295 -109341.0950 299.9546 -161534.2245 -108974.1746 299.2239 -390.3558 -356.8123 762904.8725 -8.0098 -8.1628 LDB: ============= START OF LOAD BALANCING ============== 8315.32 LDB: ============== END OF LOAD BALANCING =============== 8315.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8315.32 LDB: ============= START OF LOAD BALANCING ============== 8315.63 LDB: Largest compute 7026 load 0.033101 is 16.9% of average load 0.195293 LDB: Average compute 0.004388 is 2.2% of average load 0.195293 LDB: TIME 8315.63 LOAD: AVG 0.195293 MAX 0.21597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 8315.63 LOAD: AVG 0.195293 MAX 0.21597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: TIME 8315.63 LOAD: AVG 0.195293 MAX 0.21597 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: ============== END OF LOAD BALANCING =============== 8315.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8315.64 PRESSURE: 2604400 169.248 -42.9004 27.3202 -42.9004 -248.088 -2.6384 27.3207 -2.63935 205.931 GPRESSURE: 2604400 137.833 -148.191 0.0217558 -52.3782 -137.143 10.9661 -89.2294 25.2889 204.997 PRESSAVG: 2604400 -23.7496 -20.9241 24.8158 -20.9241 10.4249 19.5581 24.8158 19.5581 6.78026 GPRESSAVG: 2604400 -23.7872 -17.2412 25.9568 -20.762 11.2484 19.8502 23.2206 18.8865 5.33997 TIMING: 2604400 CPU: 8303.5, 0.00317815/step Wall: 8303.5, 0.00317815/step, 2.11488 hours remaining, 240.531250 MB of memory in use. ENERGY: 2604400 3926.8528 20452.7955 14472.2375 248.7955 -203209.6742 2437.1752 0.0000 0.0000 52234.4061 -109437.4116 300.1918 -161671.8177 -109074.8890 298.9985 42.3636 68.5624 761013.2820 -2.1815 -2.3996 PRESSURE: 2604600 -139.56 -137.241 -31.9608 -137.242 44.354 38.4818 -31.9603 38.4825 -66.5329 GPRESSURE: 2604600 -130.817 -181.471 -24.7198 -224.414 36.1786 95.4571 -0.336503 12.2051 33.0428 PRESSAVG: 2604600 -68.9843 -27.4858 18.7689 -27.4858 64.8203 -37.9398 18.7689 -37.9397 15.1215 GPRESSAVG: 2604600 -68.5911 -30.6831 20.0452 -26.8412 64.457 -37.74 19.6218 -39.6745 15.1065 TIMING: 2604600 CPU: 8304.13, 0.00310916/step Wall: 8304.13, 0.00310916/step, 2.0688 hours remaining, 240.675781 MB of memory in use. ENERGY: 2604600 4020.0361 20593.6067 14420.3320 257.5702 -203065.0091 2207.5683 0.0000 0.0000 52120.2927 -109445.6032 299.5360 -161565.8958 -109084.7845 299.5571 -53.9129 -20.5320 760659.4770 3.6525 3.6575 PRESSURE: 2604800 -20.997 -48.0981 286.711 -48.0988 130.48 -136.371 286.71 -136.371 -0.596903 GPRESSURE: 2604800 12.9231 -72.3197 303.35 -162.601 130.666 -110.218 269.249 -162.383 53.9102 PRESSAVG: 2604800 -40.1766 -8.35126 12.1228 -8.35118 24.0925 -7.21219 12.1228 -7.21221 5.42316 GPRESSAVG: 2604800 -38.9752 -7.24094 11.1617 -8.39209 22.9558 -8.19085 12.5996 -7.16289 4.83745 TIMING: 2604800 CPU: 8304.76, 0.00316134/step Wall: 8304.76, 0.00316134/step, 2.10335 hours remaining, 240.675781 MB of memory in use. ENERGY: 2604800 3968.5457 20465.2945 14418.1437 242.4576 -203112.0355 2438.7887 0.0000 0.0000 52053.0747 -109525.7306 299.1497 -161578.8053 -109170.3899 299.2073 36.2954 65.8332 761745.3457 -3.5537 -3.7273 PRESSURE: 2605000 351.766 -13.1629 -55.4686 -13.1618 74.7206 315.98 -55.4693 315.979 -114.094 GPRESSURE: 2605000 290.039 -29.3705 -109.735 212.411 54.8681 299.756 23.708 260.077 26.6775 PRESSAVG: 2605000 -9.71426 -23.3032 -9.4382 -23.3031 9.84204 27.1865 -9.43818 27.1864 23.1348 GPRESSAVG: 2605000 -11.5927 -21.4439 -10.0413 -23.5176 10.2929 29.0558 -7.81972 27.1131 23.2524 TIMING: 2605000 CPU: 8305.38, 0.00312563/step Wall: 8305.38, 0.00312563/step, 2.07941 hours remaining, 240.675781 MB of memory in use. ENERGY: 2605000 4061.2310 20553.8897 14483.2913 241.5391 -203711.5871 2680.8088 0.0000 0.0000 52138.5795 -109552.2477 299.6411 -161690.8272 -109190.1185 299.1339 104.1309 123.8616 760985.2071 7.7542 7.3175 PRESSURE: 2605200 -17.1273 -61.2009 -64.5162 -61.2018 -64.0585 52.4983 -64.5162 52.4995 -51.4258 GPRESSURE: 2605200 84.4772 -47.473 -62.3552 30.4392 -43.3698 43.4279 -69.7774 -155.736 -76.5917 PRESSAVG: 2605200 34.5827 -12.309 -71.3575 -12.309 -47.486 -21.1284 -71.3575 -21.1284 -1.95258 GPRESSAVG: 2605200 35.7321 -12.9219 -72.1097 -11.753 -47.0948 -22.0843 -72.0309 -21.8232 -2.57917 TIMING: 2605200 CPU: 8306.01, 0.00312956/step Wall: 8306.01, 0.00312956/step, 2.08185 hours remaining, 240.675781 MB of memory in use. ENERGY: 2605200 3990.3179 20506.4325 14509.7701 244.8663 -203714.7408 2791.3603 0.0000 0.0000 52090.4646 -109581.5291 299.3646 -161671.9937 -109221.5194 299.2407 -44.2039 -11.8281 760606.3479 -4.9520 -4.6473 PRESSURE: 2605400 -518.032 -116.323 -169.096 -116.322 -341.762 -200.539 -169.096 -200.54 312.052 GPRESSURE: 2605400 -499.742 -176.341 -135.991 -107.238 -248.967 -121.037 -67.5717 -194.967 275.315 PRESSAVG: 2605400 44.098 -84.8064 -34.5706 -84.8064 -13.2686 -45.1997 -34.5706 -45.1998 4.73828 GPRESSAVG: 2605400 44.0877 -85.7642 -34.0108 -84.8374 -12.7943 -44.9325 -34.536 -45.4478 4.56566 TIMING: 2605400 CPU: 8306.63, 0.0031165/step Wall: 8306.63, 0.0031165/step, 2.07299 hours remaining, 240.675781 MB of memory in use. ENERGY: 2605400 4029.8587 20607.1981 14458.1892 259.2430 -203207.7877 2384.5954 0.0000 0.0000 52135.6533 -109333.0498 299.6243 -161468.7032 -108955.3723 299.2478 -182.5809 -157.7980 762889.1589 11.8559 11.9530 PRESSURE: 2605600 -84.0066 -133.334 121.67 -133.334 107.059 -33.6159 121.67 -33.6145 -169.849 GPRESSURE: 2605600 -62.2573 -55.4765 136.025 -157.878 149.458 -151.578 139.152 -8.51655 -134.017 PRESSAVG: 2605600 17.1164 -23.5689 -28.4357 -23.5689 -32.9241 -14.2565 -28.4356 -14.2565 6.74968 GPRESSAVG: 2605600 14.972 -22.4562 -29.394 -25.049 -32.9392 -14.3347 -27.9676 -12.0855 8.12449 TIMING: 2605600 CPU: 8307.25, 0.00311287/step Wall: 8307.25, 0.00311287/step, 2.07041 hours remaining, 240.675781 MB of memory in use. ENERGY: 2605600 3971.2338 20553.5236 14481.0744 250.4189 -203386.4054 2558.6350 0.0000 0.0000 52272.5168 -109299.0029 300.4109 -161571.5197 -108923.7060 299.8590 -48.9322 -15.6057 760988.8166 -3.0193 -3.2809 PRESSURE: 2605800 108.747 16.8168 101.312 16.8172 193.061 73.0435 101.313 73.044 -83.8572 GPRESSURE: 2605800 179.407 22.3455 114.824 39.1767 78.6116 -35.4305 -35.5294 33.112 40.5842 PRESSAVG: 2605800 4.27391 32.8746 -11.7673 32.8746 19.8918 -23.6628 -11.7673 -23.6628 -6.89304 GPRESSAVG: 2605800 6.99734 33.3574 -10.6335 33.6024 18.3984 -23.7329 -12.9263 -24.0421 -8.05064 TIMING: 2605800 CPU: 8307.88, 0.00312395/step Wall: 8307.88, 0.00312395/step, 2.0776 hours remaining, 240.675781 MB of memory in use. ENERGY: 2605800 3970.9951 20688.3406 14505.2281 241.9413 -203886.8762 2789.1231 0.0000 0.0000 52176.6951 -109514.5529 299.8602 -161691.2480 -109152.1551 299.5106 72.6503 99.5342 759113.9427 5.7575 5.7817 PRESSURE: 2606000 74.3503 -150.902 182.566 -150.901 -83.6107 -54.3602 182.567 -54.359 -148.489 GPRESSURE: 2606000 66.574 -33.8607 220.484 -139.683 18.9315 4.56403 -3.08748 74.862 -161.453 PRESSAVG: 2606000 40.0839 20.6977 10.0774 20.6978 -10.7239 0.390483 10.0775 0.390437 0.390038 GPRESSAVG: 2606000 40.2118 16.289 8.56502 22.7781 -10.4085 0.254196 12.0006 0.607098 -0.31529 TIMING: 2606000 CPU: 8308.5, 0.00310434/step Wall: 8308.5, 0.00310434/step, 2.06438 hours remaining, 240.675781 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: 2606000 4061.2308 20457.3227 14442.0791 257.7021 -203456.6636 2589.6817 0.0000 0.0000 52251.0966 -109397.5505 300.2878 -161648.6471 -109026.4662 299.4695 -52.5831 -25.3158 760257.5634 9.9167 9.8293 PRESSURE: 2606200 -277.948 84.8407 -158.289 84.8402 -102.098 240.981 -158.289 240.981 112.876 GPRESSURE: 2606200 -256.561 108.748 -240.176 119.878 -34.9169 154.84 -110.057 174.865 94.87 PRESSAVG: 2606200 -46.5864 -43.8835 -19.1964 -43.8835 44.0376 35.5005 -19.1963 35.5004 25.3319 GPRESSAVG: 2606200 -46.4456 -39.6281 -18.992 -45.3092 44.7847 34.6249 -21.9554 34.2848 24.9369 TIMING: 2606200 CPU: 8309.13, 0.00312372/step Wall: 8309.13, 0.00312372/step, 2.0771 hours remaining, 240.675781 MB of memory in use. ENERGY: 2606200 3942.2056 20698.0063 14463.8096 242.8542 -203454.3297 2500.6163 0.0000 0.0000 52196.6165 -109410.2212 299.9747 -161606.8377 -109040.1651 299.5494 -89.0570 -65.5358 760404.7813 7.5944 7.7587 PRESSURE: 2606400 -168.963 -24.6229 -152.604 -24.6222 162.935 -90.0075 -152.604 -90.0068 -213.365 GPRESSURE: 2606400 -142.888 -105.363 -156.649 -9.72756 145.713 -96.4785 -153.248 -100.392 -133.021 PRESSAVG: 2606400 -20.6415 -21.1462 -14.3217 -21.1462 5.30598 -22.806 -14.3217 -22.8061 21.3042 GPRESSAVG: 2606400 -21.4408 -22.591 -13.2259 -21.6182 4.08238 -21.131 -15.0085 -22.3927 23.0648 TIMING: 2606400 CPU: 8309.75, 0.00311579/step Wall: 8309.75, 0.00311579/step, 2.07165 hours remaining, 240.675781 MB of memory in use. ENERGY: 2606400 3984.2096 20694.1185 14576.4033 250.1598 -203731.7598 2771.1566 0.0000 0.0000 51938.9533 -109516.7586 298.4939 -161455.7120 -109156.8838 299.4396 -73.1311 -43.3986 761140.6404 1.9896 1.9021 PRESSURE: 2606600 -85.5251 -159.998 -81.4454 -159.998 -16.2159 -111.234 -81.4447 -111.233 320.566 GPRESSURE: 2606600 -22.751 -213.079 -88.8813 -146.41 12.0413 -110.781 -22.0165 -159.067 329.199 PRESSAVG: 2606600 -21.7767 -14.9866 35.5908 -14.9867 1.19187 -22.6629 35.5908 -22.6628 18.7014 GPRESSAVG: 2606600 -21.0443 -15.1876 37.27 -15.3945 1.19978 -24.1336 35.2408 -23.7511 18.3447 TIMING: 2606600 CPU: 8310.37, 0.00310225/step Wall: 8310.37, 0.00310225/step, 2.06248 hours remaining, 240.675781 MB of memory in use. ENERGY: 2606600 4014.2269 20554.1570 14422.2806 253.5932 -203622.5002 2692.0305 0.0000 0.0000 52152.4330 -109533.7789 299.7207 -161686.2120 -109168.0709 299.2686 72.9418 106.1630 759770.9807 -0.6278 -0.4999 PRESSURE: 2606800 -193.247 -92.471 -29.9973 -92.4711 -96.8853 -200.164 -29.9967 -200.164 239.548 GPRESSURE: 2606800 -148.341 -199.07 21.2695 -25.7614 -110.028 -234.274 -190.565 -70.8169 262.705 PRESSAVG: 2606800 -30.0976 1.97195 -55.5386 1.97199 30.2697 -31.0842 -55.5386 -31.0842 3.89074 GPRESSAVG: 2606800 -29.7471 2.26912 -57.5163 2.37291 30.9029 -30.3611 -52.4701 -31.6987 3.37764 TIMING: 2606800 CPU: 8310.99, 0.00310808/step Wall: 8310.99, 0.00310808/step, 2.06618 hours remaining, 240.675781 MB of memory in use. ENERGY: 2606800 4028.2207 20535.4008 14470.7716 268.7726 -203471.3983 2577.6052 0.0000 0.0000 52122.9040 -109467.7234 299.5510 -161590.6275 -109090.5861 299.3896 -16.8615 1.4453 761889.4278 1.3543 1.5111 PRESSURE: 2607000 -68.762 226.65 76.2582 226.65 -130.645 -145.602 76.2579 -145.6 -393.34 GPRESSURE: 2607000 -69.9136 243.953 7.83961 113.785 -79.2994 -133.813 48.673 -53.2121 -356.926 PRESSAVG: 2607000 -19.5228 -49.0871 -47.5701 -49.0871 34.6961 -33.5113 -47.5701 -33.5114 -7.48853 GPRESSAVG: 2607000 -20.0871 -49.7324 -47.8487 -49.9204 34.652 -33.5222 -48.0438 -30.7234 -6.81336 TIMING: 2607000 CPU: 8311.61, 0.00310883/step Wall: 8311.61, 0.00310883/step, 2.06651 hours remaining, 240.675781 MB of memory in use. ENERGY: 2607000 4071.1146 20803.5897 14561.5854 237.8006 -203564.0230 2500.2342 0.0000 0.0000 51959.1666 -109430.5319 298.6100 -161389.6985 -109070.0981 299.6644 -197.5821 -168.7130 759798.9203 2.5616 2.5839 PRESSURE: 2607200 176.478 133.626 -165.911 133.626 -19.1787 -188.834 -165.911 -188.834 -441.476 GPRESSURE: 2607200 231.312 147.069 -178.435 158.897 56.0872 -191.15 -204.325 -195.296 -477.82 PRESSAVG: 2607200 -1.54123 -5.14802 -32.2974 -5.14809 -34.8097 34.0468 -32.2975 34.0468 -9.50971 GPRESSAVG: 2607200 -1.73964 -4.91964 -31.2748 -3.39885 -34.4029 34.0175 -34.5035 32.8087 -9.6357 TIMING: 2607200 CPU: 8312.23, 0.00311082/step Wall: 8312.23, 0.00311082/step, 2.06766 hours remaining, 240.675781 MB of memory in use. ENERGY: 2607200 4014.9450 20521.3424 14488.2944 242.5091 -203661.7088 2829.6256 0.0000 0.0000 52054.6282 -109510.3642 299.1587 -161564.9923 -109148.2821 299.1982 -94.7257 -63.4737 762400.8461 -15.2869 -15.2594 PRESSURE: 2607400 -524.014 -16.1259 -156.905 -16.1259 -208.789 -34.7236 -156.905 -34.7242 -388.621 GPRESSURE: 2607400 -559.131 -10.1957 -115.068 -59.0886 -161.86 -66.5138 -57.4 58.162 -314.973 PRESSAVG: 2607400 -33.6297 37.3478 -59.8113 37.3478 16.6334 -33.1871 -59.8113 -33.1871 21.8081 GPRESSAVG: 2607400 -32.5631 38.9964 -60.507 36.9018 16.6594 -33.234 -58.5621 -32.6866 20.7237 TIMING: 2607400 CPU: 8312.86, 0.00311845/step Wall: 8312.86, 0.00311845/step, 2.07255 hours remaining, 240.675781 MB of memory in use. ENERGY: 2607400 4025.4900 20409.8860 14542.2883 271.2589 -203293.9115 2506.1239 0.0000 0.0000 52025.5756 -109513.2888 298.9917 -161538.8644 -109140.2643 299.1643 -373.8077 -345.3214 763619.3630 1.6040 1.6067 PRESSURE: 2607600 40.4037 -226.531 -61.0951 -226.532 8.72437 -201.984 -61.0949 -201.984 94.5467 GPRESSURE: 2607600 46.2293 -331.349 -56.9294 -139.652 75.5491 -317.833 21.3674 -250.019 120.527 PRESSAVG: 2607600 -42.9022 -18.113 -19.6137 -18.1129 42.4621 -18.9379 -19.6137 -18.9379 -20.827 GPRESSAVG: 2607600 -44.6929 -18.184 -20.9753 -17.3539 43.3073 -18.8881 -18.1362 -16.7867 -19.7525 TIMING: 2607600 CPU: 8313.48, 0.00311158/step Wall: 8313.48, 0.00311158/step, 2.06782 hours remaining, 240.675781 MB of memory in use. ENERGY: 2607600 3956.2689 20560.0607 14560.4159 244.1093 -203523.9005 2737.7153 0.0000 0.0000 51993.2228 -109472.1075 298.8058 -161465.3303 -109116.4974 299.1129 47.8916 80.7685 761566.9059 -7.0890 -7.0460 PRESSURE: 2607800 -32.6446 -130.07 69.1637 -130.07 92.8762 142.029 69.1641 142.03 -535.083 GPRESSURE: 2607800 11.0617 -149.641 73.4036 -88.0995 45.0848 240.886 -4.06111 128.689 -436.309 PRESSAVG: 2607800 -12.5017 -35.0192 21.0199 -35.0192 -9.64849 10.7534 21.02 10.7535 12.2595 GPRESSAVG: 2607800 -12.6773 -35.508 22.3159 -37.5444 -9.37273 11.8959 20.2172 7.81617 12.0318 TIMING: 2607800 CPU: 8314.1, 0.00308342/step Wall: 8314.1, 0.00308342/step, 2.04893 hours remaining, 240.675781 MB of memory in use. ENERGY: 2607800 3950.3778 20545.6045 14528.6726 222.4172 -203465.0630 2548.7368 0.0000 0.0000 52228.8225 -109440.4315 300.1598 -161669.2540 -109077.0013 299.4000 -158.2837 -126.7209 763108.4662 -3.2969 -3.3394 PRESSURE: 2608000 -134.492 -147.795 106.213 -147.795 -335.314 -82.8343 106.214 -82.834 -319.663 GPRESSURE: 2608000 -143.681 -121.143 144.609 -56.9132 -286.945 -125.529 138.839 -61.6386 -279.49 PRESSAVG: 2608000 8.5656 -4.15691 3.43966 -4.15697 -4.67385 15.1358 3.43966 15.1358 1.69248 GPRESSAVG: 2608000 9.03829 -4.07091 3.70643 -1.46961 -5.62493 14.6263 3.22362 18.0974 1.78253 TIMING: 2608000 CPU: 8314.72, 0.00310432/step Wall: 8314.72, 0.00310432/step, 2.06265 hours remaining, 240.675781 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: 2608000 3996.3176 20364.8722 14540.2985 233.4937 -203009.7543 2458.5758 0.0000 0.0000 52016.3376 -109399.8589 298.9386 -161416.1965 -109042.8987 299.0853 -263.1565 -236.7056 763154.2849 1.8614 1.7320 PRESSURE: 2608200 -200.641 -57.9737 -80.7008 -57.9738 -237.101 97.4328 -80.7002 97.4323 204.025 GPRESSURE: 2608200 -172.212 -89.0323 -9.14329 -111.256 -211.272 64.7009 -301.481 126.283 213.777 PRESSAVG: 2608200 35.2685 -40.8057 35.4238 -40.8057 -12.0936 5.68688 35.4238 5.68683 -10.1868 GPRESSAVG: 2608200 35.9341 -42.4841 34.4883 -42.0754 -12.4935 6.90316 34.1814 3.95286 -10.0769 TIMING: 2608200 CPU: 8315.34, 0.00311785/step Wall: 8315.34, 0.00311785/step, 2.07147 hours remaining, 240.675781 MB of memory in use. ENERGY: 2608200 3937.8222 20555.5417 14488.5444 252.0086 -203570.0076 2757.4403 0.0000 0.0000 52002.6784 -109575.9720 298.8601 -161578.6504 -109206.8983 299.0806 -77.9055 -56.5691 762205.8974 4.3294 4.4546 LDB: ============= START OF LOAD BALANCING ============== 8327.79 LDB: ============== END OF LOAD BALANCING =============== 8327.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8327.79 LDB: ============= START OF LOAD BALANCING ============== 8328.1 LDB: Largest compute 7057 load 0.034899 is 17.9% of average load 0.195332 LDB: Average compute 0.004394 is 2.2% of average load 0.195332 LDB: TIME 8328.11 LOAD: AVG 0.195332 MAX 0.215979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.891 MB LDB: TIME 8328.11 LOAD: AVG 0.195332 MAX 0.215979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.984 MB LDB: TIME 8328.11 LOAD: AVG 0.195332 MAX 0.215979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.984 MB LDB: ============== END OF LOAD BALANCING =============== 8328.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8328.11 PRESSURE: 2608400 32.4997 55.09 13.0942 55.0897 132.392 415.944 13.0936 415.944 -333.87 GPRESSURE: 2608400 -52.4588 87.9798 52.5198 11.7451 264.575 454.485 96.5462 340.283 -302.197 PRESSAVG: 2608400 -19.8083 45.621 -21.1749 45.621 11.1683 34.7366 -21.175 34.7367 -2.27954 GPRESSAVG: 2608400 -20.3133 47.1511 -20.8003 46.3005 12.1203 34.6309 -18.2992 34.0803 -2.6647 TIMING: 2608400 CPU: 8315.98, 0.00318792/step Wall: 8315.98, 0.00318792/step, 2.11784 hours remaining, 240.984375 MB of memory in use. ENERGY: 2608400 3943.5533 20572.0637 14460.4600 241.2191 -203003.0146 2357.7842 0.0000 0.0000 51880.8573 -109547.0769 298.1600 -161427.9342 -109193.0388 298.7622 -56.3261 -30.0267 762253.8742 -3.6399 -3.6193 PRESSURE: 2608600 137.24 -108.398 -78.0809 -108.398 -39.8079 -33.1606 -78.0807 -33.1602 86.0305 GPRESSURE: 2608600 158.004 -72.4437 -82.2617 -200.092 29.4807 -60.0541 -4.35293 -119.453 70.0481 PRESSAVG: 2608600 19.7196 10.7447 -20.7339 10.7447 -43.8484 57.0761 -20.7339 57.0761 9.20971 GPRESSAVG: 2608600 19.259 10.3414 -19.7543 11.6031 -43.3261 55.4426 -21.7367 55.0241 9.26269 TIMING: 2608600 CPU: 8316.6, 0.00312541/step Wall: 8316.6, 0.00312541/step, 2.07614 hours remaining, 240.984375 MB of memory in use. ENERGY: 2608600 4028.0732 20503.5241 14507.5227 259.4636 -203451.0131 2644.0227 0.0000 0.0000 52034.1710 -109474.2358 299.0411 -161508.4068 -109107.2783 299.3895 61.1543 85.8441 762930.4845 -4.9730 -4.9348 PRESSURE: 2608800 100.431 182.933 -21.2411 182.932 -284.856 -279.228 -21.2405 -279.229 277.048 GPRESSURE: 2608800 79.0969 159.378 -84.0526 124.935 -232.319 -282.078 78.5517 -39.472 315.121 PRESSAVG: 2608800 24.6911 -3.23213 13.7669 -3.23206 -39.1692 31.7435 13.7669 31.7434 24.5706 GPRESSAVG: 2608800 27.3138 -2.0587 12.7571 -6.05919 -41.1035 31.2957 11.7657 35.5059 24.1961 TIMING: 2608800 CPU: 8317.23, 0.00310641/step Wall: 8317.23, 0.00310641/step, 2.06335 hours remaining, 240.984375 MB of memory in use. ENERGY: 2608800 3982.4808 20539.7983 14528.4498 251.5465 -203449.3241 2584.3296 0.0000 0.0000 51914.9097 -109647.8093 298.3557 -161562.7190 -109292.5358 298.6460 30.8742 53.9664 760583.2827 3.3642 3.4688 PRESSURE: 2609000 75.728 -120.67 -41.7499 -120.67 251.444 201.61 -41.7498 201.609 -20.7378 GPRESSURE: 2609000 129.817 -254.922 -75.6562 -174.881 223.382 195.408 -92.6999 103.6 34.8257 PRESSAVG: 2609000 -36.7706 -57.2511 -57.3611 -57.2511 -24.16 46.2965 -57.3612 46.2966 -14.861 GPRESSAVG: 2609000 -37.7134 -58.286 -55.4076 -55.4769 -23.2771 48.0989 -59.7575 43.4936 -14.845 TIMING: 2609000 CPU: 8317.85, 0.0031145/step Wall: 8317.85, 0.0031145/step, 2.06855 hours remaining, 240.984375 MB of memory in use. ENERGY: 2609000 3941.2336 20481.9917 14397.0415 253.7497 -203484.5511 2715.0165 0.0000 0.0000 52086.4851 -109609.0331 299.3417 -161695.5182 -109250.3714 298.4050 102.1448 129.3417 760832.8030 -25.2639 -25.2785 PRESSURE: 2609200 439.877 74.9944 -143.072 74.9942 163.093 15.8666 -143.072 15.8664 250.064 GPRESSURE: 2609200 419.513 57.5394 -118.103 82.744 252.717 17.8986 -142.776 -33.7064 262.625 PRESSAVG: 2609200 46.3341 -48.1372 -65.4349 -48.1372 -29.4932 31.443 -65.4349 31.4431 -5.26319 GPRESSAVG: 2609200 46.2954 -50.2046 -67.3134 -47.0625 -28.7554 31.6662 -63.7893 30.5239 -5.89133 TIMING: 2609200 CPU: 8318.47, 0.0031218/step Wall: 8318.47, 0.0031218/step, 2.07322 hours remaining, 240.984375 MB of memory in use. ENERGY: 2609200 3900.4351 20417.4164 14461.3315 243.9296 -203522.9461 2664.0006 0.0000 0.0000 52263.8254 -109572.0074 300.3609 -161835.8328 -109215.5836 299.5674 284.3449 311.6185 759345.4453 3.8593 3.8829 PRESSURE: 2609400 -47.9064 -330.637 -39.3883 -330.637 -14.9409 -70.6844 -39.389 -70.6842 318.514 GPRESSURE: 2609400 -37.0295 -183.77 -177.305 -372.632 28.7595 3.33586 0.954604 -66.3957 351.575 PRESSAVG: 2609400 -5.12029 -42.3515 -30.4686 -42.3515 34.2661 18.5929 -30.4687 18.5929 3.63407 GPRESSAVG: 2609400 -5.63015 -38.7975 -31.075 -43.3202 33.9854 18.7679 -29.5615 18.4077 3.93481 TIMING: 2609400 CPU: 8319.09, 0.00310903/step Wall: 8319.09, 0.00310903/step, 2.06457 hours remaining, 240.984375 MB of memory in use. ENERGY: 2609400 3923.8539 20568.2856 14578.8630 270.4551 -203364.8192 2529.8054 0.0000 0.0000 51927.9675 -109565.5885 298.4307 -161493.5560 -109205.3154 298.8421 85.2222 114.4351 761430.3433 10.9266 10.7634 PRESSURE: 2609600 -10.4486 -23.9285 -146.486 -23.9285 -173.171 -151.282 -146.486 -151.281 -91.3205 GPRESSURE: 2609600 -51.5456 28.235 -96.631 -70.7894 -79.5917 -108.872 -193.553 -212.456 -49.1229 PRESSAVG: 2609600 -36.023 -37.641 -22.8473 -37.641 71.9336 -5.23184 -22.8473 -5.23183 17.6933 GPRESSAVG: 2609600 -36.2847 -39.5966 -22.0446 -37.3279 71.8085 -6.83977 -22.9 -2.99224 17.9042 TIMING: 2609600 CPU: 8319.72, 0.00311281/step Wall: 8319.72, 0.00311281/step, 2.06691 hours remaining, 240.984375 MB of memory in use. ENERGY: 2609600 3964.3259 20627.6405 14542.4353 228.3948 -203515.2628 2451.6302 0.0000 0.0000 51973.4937 -109727.3424 298.6924 -161700.8361 -109369.9541 298.6297 -91.6466 -60.0867 760708.9507 17.8680 17.8093 PRESSURE: 2609800 -81.9475 116.983 207.477 116.983 -75.9382 123.726 207.478 123.726 -65.4987 GPRESSURE: 2609800 -9.31289 21.4106 237.431 83.292 -39.2472 106.948 172.187 -12.6159 -99.6354 PRESSAVG: 2609800 -21.5325 -13.5863 -48.4757 -13.5862 10.5713 -17.1642 -48.4758 -17.1642 19.1308 GPRESSAVG: 2609800 -21.3179 -10.8727 -48.7747 -14.0343 11.7633 -18.95 -47.9754 -18.5557 17.7635 TIMING: 2609800 CPU: 8320.34, 0.00311536/step Wall: 8320.34, 0.00311536/step, 2.06842 hours remaining, 240.984375 MB of memory in use. ENERGY: 2609800 4006.1121 20585.7856 14555.3871 262.6093 -203738.4701 2651.5256 0.0000 0.0000 51751.9201 -109925.1303 297.4190 -161677.0503 -109560.8023 298.7026 -74.4615 -49.3985 760962.5748 2.7232 2.7363 PRESSURE: 2610000 -80.8919 -51.3483 -161.537 -51.3486 -174.52 94.2938 -161.537 94.294 45.4239 GPRESSURE: 2610000 14.6408 -105.426 -70.554 3.27017 -156.952 11.9577 19.7362 51.9671 56.0446 PRESSAVG: 2610000 -6.47691 50.4665 -9.26461 50.4665 16.3241 -34.6477 -9.26463 -34.6478 28.2917 GPRESSAVG: 2610000 -7.28232 47.1921 -10.8498 51.0963 15.4114 -33.7664 -9.45205 -33.2824 30.5479 TIMING: 2610000 CPU: 8320.96, 0.00311673/step Wall: 8320.96, 0.00311673/step, 2.06916 hours remaining, 240.984375 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: 2610000 4126.7202 20450.9911 14552.5081 236.6423 -203577.8351 2734.7645 0.0000 0.0000 51779.6961 -109696.5128 297.5786 -161476.2089 -109336.4858 299.0609 -69.9959 -28.7555 761165.6029 12.7130 12.8923 PRESSURE: 2610200 160.966 -38.6854 110.518 -38.6856 167.384 -58.3854 110.518 -58.3857 131.052 GPRESSURE: 2610200 252.588 86.5567 51.3847 -21.5992 137.109 -60.7897 128.767 -41.292 150.278 PRESSAVG: 2610200 16.5085 -8.40784 -23.2059 -8.40784 -38.8647 4.00011 -23.2059 4.00005 12.5264 GPRESSAVG: 2610200 17.4011 -8.02737 -21.2444 -9.33013 -40.1135 5.17211 -23.1141 2.38689 12.4229 TIMING: 2610200 CPU: 8321.58, 0.00310725/step Wall: 8321.58, 0.00310725/step, 2.0627 hours remaining, 240.984375 MB of memory in use. ENERGY: 2610200 3910.9351 20600.7745 14473.2529 259.3135 -204032.3275 2945.3329 0.0000 0.0000 51883.0598 -109959.6587 298.1727 -161842.7185 -109611.8938 299.0068 153.1341 179.9918 761580.1513 -3.2766 -3.4298 PRESSURE: 2610400 0.0085662 196.311 163.734 196.311 193.399 87.0919 163.733 87.0911 -140.531 GPRESSURE: 2610400 57.1742 147.374 151.696 179.79 168.741 58.1419 34.5191 143.228 -83.9381 PRESSAVG: 2610400 -22.3623 -3.78295 60.484 -3.78294 -8.34198 41.6135 60.4839 41.6135 -16.5458 GPRESSAVG: 2610400 -22.9262 -5.08002 60.3547 -1.9801 -7.41738 41.3199 58.7897 42.0077 -17.0388 TIMING: 2610400 CPU: 8322.21, 0.00312259/step Wall: 8322.21, 0.00312259/step, 2.07271 hours remaining, 240.984375 MB of memory in use. ENERGY: 2610400 4051.2968 20622.2569 14504.2074 254.1872 -203922.8631 2794.7753 0.0000 0.0000 51907.4088 -109788.7307 298.3126 -161696.1396 -109437.5259 298.5441 17.6256 47.3258 760528.4783 -15.7500 -15.7941 PRESSURE: 2610600 -198.986 32.4742 102.639 32.4737 90.4856 -23.4181 102.639 -23.4183 72.2418 GPRESSURE: 2610600 -159.389 -35.1864 193.733 -9.8884 94.1282 -43.2262 51.0263 44.3024 101.509 PRESSAVG: 2610600 13.6463 27.0245 -19.4756 27.0245 1.83125 -3.52932 -19.4756 -3.52933 -3.7429 GPRESSAVG: 2610600 12.6921 28.0375 -19.7368 23.8983 2.23054 -3.17745 -16.487 -3.74008 -3.54568 TIMING: 2610600 CPU: 8322.83, 0.00309463/step Wall: 8322.83, 0.00309463/step, 2.05398 hours remaining, 240.984375 MB of memory in use. ENERGY: 2610600 3983.4294 20668.0128 14516.3287 231.9255 -203885.1461 2794.7061 0.0000 0.0000 52102.2914 -109588.4524 299.4326 -161690.7438 -109224.0500 298.9015 -12.0861 12.0826 760954.6152 3.9116 3.7923 PRESSURE: 2610800 43.2575 79.064 -144.097 79.0646 97.0633 -63.3334 -144.096 -63.3334 59.8145 GPRESSURE: 2610800 84.874 90.6852 -203.384 20.2158 123.56 -108.438 -132.877 -127.896 85.1029 PRESSAVG: 2610800 4.63012 -9.24802 6.77492 -9.24797 24.5755 -30.2082 6.77491 -30.2082 -22.7349 GPRESSAVG: 2610800 5.83312 -9.15085 6.63465 -6.59569 24.3298 -30.6488 4.61106 -29.97 -24.1096 TIMING: 2610800 CPU: 8323.45, 0.00310265/step Wall: 8323.45, 0.00310265/step, 2.05912 hours remaining, 240.984375 MB of memory in use. ENERGY: 2610800 4007.5905 20593.6387 14485.1249 268.6763 -203807.8967 2853.0445 0.0000 0.0000 51952.7331 -109647.0887 298.5731 -161599.8218 -109296.0302 298.9328 66.7118 97.8455 760297.3993 2.1569 2.0178 PRESSURE: 2611000 46.0582 -107.783 -16.6173 -107.784 135.27 49.6126 -16.6171 49.613 199.268 GPRESSURE: 2611000 42.0094 -183.002 -65.327 -104.189 149.538 -13.6059 10.3432 166.468 261.105 PRESSAVG: 2611000 -45.2949 43.7935 3.77634 43.7935 52.4626 18.5936 3.77642 18.5937 21.8445 GPRESSAVG: 2611000 -45.7729 44.2494 4.70842 40.8885 51.9677 16.6935 2.1928 21.118 22.7663 TIMING: 2611000 CPU: 8324.07, 0.00310443/step Wall: 8324.07, 0.00310443/step, 2.06013 hours remaining, 240.984375 MB of memory in use. ENERGY: 2611000 3993.3570 20472.3763 14487.4208 219.6482 -203417.8494 2675.9114 0.0000 0.0000 51920.4642 -109648.6716 298.3876 -161569.1357 -109288.4351 298.3037 126.8656 150.8840 762091.2116 9.6707 9.6537 PRESSURE: 2611200 -121.14 -197.771 -120.667 -197.771 -124.928 128.614 -120.666 128.613 -37.2471 GPRESSURE: 2611200 -137.524 -183.508 -145.276 -226.405 -106.696 158.489 -134.298 63.0759 42.4929 PRESSAVG: 2611200 17.3822 -29.2088 -37.1526 -29.2087 -63.9789 29.4587 -37.1526 29.4587 4.9146 GPRESSAVG: 2611200 17.1338 -29.8495 -37.856 -29.2898 -65.0029 32.0795 -35.0039 27.3719 5.38467 TIMING: 2611200 CPU: 8324.69, 0.00310691/step Wall: 8324.69, 0.00310691/step, 2.06161 hours remaining, 240.984375 MB of memory in use. ENERGY: 2611200 4004.8493 20382.8229 14494.5911 254.6025 -203438.8284 2398.5892 0.0000 0.0000 51975.5536 -109927.8198 298.7042 -161903.3734 -109565.4073 298.8044 -94.4383 -67.2424 760958.9130 -13.8941 -14.1615 PRESSURE: 2611400 -26.3229 101.748 -183.9 101.748 153.865 -41.3691 -183.899 -41.3701 150.196 GPRESSURE: 2611400 16.9793 79.884 -209.112 -34.4436 149.189 -102.289 -245.42 44.6494 207.903 PRESSAVG: 2611400 10.199 -6.09875 -42.3392 -6.09877 19.2025 58.4527 -42.3392 58.4526 -12.1126 GPRESSAVG: 2611400 10.4093 -3.99874 -42.8869 -5.81403 19.9558 55.5244 -42.5568 61.658 -12.7976 TIMING: 2611400 CPU: 8325.31, 0.00311662/step Wall: 8325.31, 0.00311662/step, 2.06787 hours remaining, 240.984375 MB of memory in use. ENERGY: 2611400 3949.7267 20439.4795 14505.7913 264.4973 -203651.7443 2485.0861 0.0000 0.0000 52197.7502 -109809.4132 299.9812 -162007.1633 -109449.0363 298.7026 92.5791 124.6904 760183.2900 5.7630 5.8558 PRESSURE: 2611600 -101.379 -232.186 168.102 -232.186 -30.3828 165.834 168.102 165.834 -60.3868 GPRESSURE: 2611600 -101.906 -222.457 253.054 -149.347 63.7366 224.563 28.3686 45.0927 -54.0572 PRESSAVG: 2611600 -13.6432 29.7696 -55.7859 29.7696 20.3602 3.57834 -55.786 3.57831 13.0678 GPRESSAVG: 2611600 -13.6569 28.9989 -55.2774 29.3817 19.9373 5.52779 -56.512 1.19958 13.8635 TIMING: 2611600 CPU: 8325.94, 0.00312266/step Wall: 8325.94, 0.00312266/step, 2.07171 hours remaining, 240.984375 MB of memory in use. ENERGY: 2611600 3991.6524 20436.0911 14509.2529 237.0129 -203583.6306 2760.6248 0.0000 0.0000 51831.9170 -109817.0794 297.8787 -161648.9965 -109448.3445 298.3225 -64.0496 -30.7422 760755.3228 6.5949 6.7146 PRESSURE: 2611800 -90.5143 -87.1271 22.5437 -87.1274 -101.369 275.189 22.5431 275.191 -178.553 GPRESSURE: 2611800 -42.7887 -61.7559 117.618 -39.6644 -10.3648 290.38 -13.2041 204.351 -235.369 PRESSAVG: 2611800 -26.2051 -61.4962 13.9315 -61.4962 24.7971 19.4632 13.9315 19.4632 -8.73163 GPRESSAVG: 2611800 -26.1358 -62.9238 13.9636 -58.6519 24.7523 21.6181 15.4298 17.6721 -9.1174 TIMING: 2611800 CPU: 8326.57, 0.00313671/step Wall: 8326.57, 0.00313671/step, 2.08086 hours remaining, 240.984375 MB of memory in use. ENERGY: 2611800 3946.3438 20554.8189 14459.6914 240.7028 -203658.9175 2700.6441 0.0000 0.0000 52002.6797 -109754.0367 298.8601 -161756.7165 -109397.4273 298.4324 -123.4787 -96.1742 762099.4380 -3.3799 -3.5003 PRESSURE: 2612000 333.578 -161.679 313.864 -161.679 434.464 -145.736 313.865 -145.736 256.611 GPRESSURE: 2612000 337.393 -141.824 320.223 -158.268 483.563 -103.968 181.774 -96.3377 288.093 PRESSAVG: 2612000 -3.5567 -11.9851 17.5243 -11.9851 -19.0216 -18.0464 17.5243 -18.0463 1.62022 GPRESSAVG: 2612000 -3.53124 -10.0337 18.407 -13.8581 -18.1738 -19.7527 17.4387 -17.4019 1.00408 TIMING: 2612000 CPU: 8327.19, 0.00311587/step Wall: 8327.19, 0.00311587/step, 2.06686 hours remaining, 240.984375 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: 2612000 3938.0908 20557.8785 14478.5208 247.5066 -203727.7269 2748.3717 0.0000 0.0000 51941.4340 -109815.9246 298.5081 -161757.3586 -109458.3592 298.2972 341.5510 369.6831 759289.6963 -6.9860 -6.9003 PRESSURE: 2612200 112.228 100.312 -313.287 100.312 360.633 -83.9603 -313.287 -83.9598 131.305 GPRESSURE: 2612200 73.3806 -43.8338 -295.104 -64.9301 463.506 -78.6342 -278.632 -154.088 168.463 PRESSAVG: 2612200 20.0052 -29.2456 18.2847 -29.2456 -6.2594 -44.3917 18.2847 -44.3916 -3.0413 GPRESSAVG: 2612200 20.6623 -29.0353 17.9176 -29.8404 -6.63413 -44.0179 16.9545 -45.2637 -2.75837 TIMING: 2612200 CPU: 8327.81, 0.00310979/step Wall: 8327.81, 0.00310979/step, 2.06265 hours remaining, 240.984375 MB of memory in use. ENERGY: 2612200 4000.7853 20413.0153 14444.6630 247.3914 -203667.3238 2917.2690 0.0000 0.0000 52068.3767 -109575.8231 299.2377 -161644.1998 -109225.7730 298.9372 201.3886 235.1166 760030.1033 3.5682 3.7566 LDB: ============= START OF LOAD BALANCING ============== 8340.26 LDB: ============== END OF LOAD BALANCING =============== 8340.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8340.26 LDB: ============= START OF LOAD BALANCING ============== 8340.57 LDB: Largest compute 7057 load 0.033613 is 17.2% of average load 0.195420 LDB: Average compute 0.004396 is 2.2% of average load 0.195420 LDB: TIME 8340.58 LOAD: AVG 0.19542 MAX 0.218775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 8340.58 LOAD: AVG 0.19542 MAX 0.218775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 8340.58 LOAD: AVG 0.19542 MAX 0.215309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 8340.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8340.58 PRESSURE: 2612400 -114.127 -138.261 31.6005 -138.262 -472.234 361.578 31.6003 361.578 -108.286 GPRESSURE: 2612400 -37.5277 -129.483 49.0707 -32.7838 -457.804 243.187 -13.0006 306.706 -117.91 PRESSAVG: 2612400 -5.71282 -20.3534 22.0284 -20.3534 -15.8744 21.2669 22.0285 21.2668 23.5912 GPRESSAVG: 2612400 -6.11971 -20.8483 22.7027 -19.8692 -15.5115 21.8282 23.0105 23.5496 23.9647 TIMING: 2612400 CPU: 8328.45, 0.00317744/step Wall: 8328.45, 0.00317744/step, 2.10735 hours remaining, 240.667969 MB of memory in use. ENERGY: 2612400 3917.5977 20453.8938 14477.7691 264.5482 -203325.6534 2460.7077 0.0000 0.0000 52381.0062 -109370.1307 301.0344 -161751.1370 -108994.6151 299.2948 -231.5489 -204.4137 761353.0456 0.6680 0.7778 PRESSURE: 2612600 -124.823 29.5123 -56.3797 29.5134 13.6541 -3.10739 -56.38 -3.10627 -212.496 GPRESSURE: 2612600 -66.4178 2.22743 -37.2049 0.714138 -69.342 52.4974 19.7363 -129.246 -93.3968 PRESSAVG: 2612600 4.03889 28.9959 -46.0702 28.996 -13.167 -23.7165 -46.0702 -23.7164 6.20074 GPRESSAVG: 2612600 3.96874 28.3416 -46.9648 29.5094 -13.4411 -25.7441 -47.0291 -23.0259 6.26512 TIMING: 2612600 CPU: 8329.07, 0.00310725/step Wall: 8329.07, 0.00310725/step, 2.06062 hours remaining, 240.667969 MB of memory in use. ENERGY: 2612600 4043.9743 20460.8691 14470.9356 254.5257 -203325.3751 2683.2767 0.0000 0.0000 51957.2770 -109454.5167 298.5992 -161411.7937 -109103.6079 299.6431 -107.8883 -76.3855 761894.5846 -0.9758 -1.0691 PRESSURE: 2612800 -65.297 9.58362 -18.4515 9.58347 -115.086 -119.289 -18.4525 -119.288 -17.0848 GPRESSURE: 2612800 -53.282 44.4629 0.997111 11.8012 -93.4446 4.25304 11.2099 -64.2191 35.2495 PRESSAVG: 2612800 -29.2139 12.8831 10.1329 12.883 48.5854 38.1387 10.1329 38.1387 24.5238 GPRESSAVG: 2612800 -29.1576 11.2885 10.9462 13.3256 48.8064 40.0738 11.4289 35.7183 24.1449 TIMING: 2612800 CPU: 8329.69, 0.00312949/step Wall: 8329.69, 0.00312949/step, 2.0752 hours remaining, 240.667969 MB of memory in use. ENERGY: 2612800 4004.3527 20424.0150 14509.3499 248.0404 -203065.6449 2445.6136 0.0000 0.0000 52078.6643 -109355.6090 299.2968 -161434.2733 -108994.9125 299.2668 -65.8227 -37.1590 762320.5464 14.6318 14.5979 PRESSURE: 2613000 -126.202 -53.6062 229.532 -53.606 -361.977 82.6882 229.532 82.6888 150.667 GPRESSURE: 2613000 -66.3734 -61.2664 212.29 -127.627 -330.263 83.7374 377.681 59.9843 134.906 PRESSAVG: 2613000 6.24376 38.108 55.4177 38.1081 37.7006 33.6459 55.4176 33.6459 -6.44767 GPRESSAVG: 2613000 5.84735 40.5491 55.3306 37.5262 38.0388 34.1747 54.3014 34.0487 -7.01914 TIMING: 2613000 CPU: 8330.32, 0.0031371/step Wall: 8330.32, 0.0031371/step, 2.08007 hours remaining, 240.667969 MB of memory in use. ENERGY: 2613000 3949.1779 20495.6358 14458.0325 261.4549 -203054.0165 2351.0350 0.0000 0.0000 52038.8346 -109499.8460 299.0679 -161538.6805 -109142.5278 299.1839 -112.5041 -87.2436 761120.4276 12.4989 12.2890 PRESSURE: 2613200 -154.582 -136.268 194.645 -136.267 -25.7826 -4.29901 194.645 -4.29892 -41.0132 GPRESSURE: 2613200 -91.7212 52.6773 123.663 -43.577 54.0505 7.57218 246.374 36.2691 -100.502 PRESSAVG: 2613200 -15.9369 16.624 8.82048 16.6239 -2.18535 -19.6298 8.82047 -19.6298 8.37788 GPRESSAVG: 2613200 -14.6438 14.4117 9.06958 17.2818 -2.68337 -20.4912 10.5867 -19.4119 7.60911 TIMING: 2613200 CPU: 8330.95, 0.00311931/step Wall: 8330.95, 0.00311931/step, 2.0681 hours remaining, 240.667969 MB of memory in use. ENERGY: 2613200 3981.8675 20332.8142 14488.0234 253.7306 -203248.8361 2668.8204 0.0000 0.0000 51981.2532 -109542.3267 298.7370 -161523.5799 -109173.9124 298.9572 -73.7926 -46.0575 763183.1154 -3.2481 -3.2394 PRESSURE: 2613400 68.2997 4.80163 8.85548 4.80146 -24.8331 26.0923 8.85644 26.0921 174.891 GPRESSURE: 2613400 104.248 18.1079 -3.13852 24.9561 -52.6126 21.1396 -170.796 108.546 262.051 PRESSAVG: 2613400 2.173 -4.83822 27.8703 -4.8382 -6.75761 24.249 27.8703 24.2491 14.2228 GPRESSAVG: 2613400 4.16632 -4.64967 27.2871 -4.94583 -8.21291 24.3316 25.8374 25.1832 14.1674 TIMING: 2613400 CPU: 8331.57, 0.00314207/step Wall: 8331.57, 0.00314207/step, 2.08302 hours remaining, 240.667969 MB of memory in use. ENERGY: 2613400 3983.7372 20290.6367 14551.0968 247.4501 -203716.1684 2720.7726 0.0000 0.0000 52135.3738 -109787.1011 299.6227 -161922.4749 -109412.7293 298.2544 72.7859 104.5622 760310.0728 3.2127 3.3736 PRESSURE: 2613600 -82.5424 -233.965 -32.3889 -233.966 -89.4753 -137.668 -32.3888 -137.668 74.1999 GPRESSURE: 2613600 -136.737 -118.551 -34.6836 -256.902 -2.02347 -83.9805 64.8853 -146.009 119.334 PRESSAVG: 2613600 -6.24381 -14.7135 13.2938 -14.7135 18.1885 -18.705 13.2939 -18.705 4.11727 GPRESSAVG: 2613600 -8.99686 -14.8467 13.2457 -13.1526 18.2005 -17.596 14.4485 -17.9855 6.40098 TIMING: 2613600 CPU: 8332.2, 0.00313912/step Wall: 8332.2, 0.00313912/step, 2.08089 hours remaining, 240.667969 MB of memory in use. ENERGY: 2613600 3929.5787 20562.0884 14543.7917 236.9311 -203439.7961 2593.2909 0.0000 0.0000 51792.4330 -109781.6823 297.6518 -161574.1153 -109433.5673 298.4138 -32.6059 -6.4757 761210.5391 5.3540 5.2016 PRESSURE: 2613800 376.056 -38.0015 -48.6489 -38.0011 85.2441 188.216 -48.6483 188.217 24.661 GPRESSURE: 2613800 425.313 -91.3908 -136.199 -121.77 131.158 201.542 -25.6905 97.5756 5.92317 PRESSAVG: 2613800 51.2641 -54.4153 49.6142 -54.4153 -10.533 23.3342 49.6142 23.3341 5.34087 GPRESSAVG: 2613800 52.1229 -54.4716 50.5308 -56.3729 -10.3882 24.0913 48.6216 20.5869 4.58881 TIMING: 2613800 CPU: 8332.83, 0.00313416/step Wall: 8332.83, 0.00313416/step, 2.07743 hours remaining, 240.667969 MB of memory in use. ENERGY: 2613800 3925.2284 20566.7003 14577.2958 233.8075 -203219.7894 2332.1130 0.0000 0.0000 51825.3557 -109759.2886 297.8410 -161584.6443 -109396.6468 298.1353 161.9871 187.4648 761201.5754 15.3573 15.4412 PRESSURE: 2614000 104.285 -18.4393 -191.99 -18.4388 -26.7864 -0.346316 -191.99 -0.345883 77.081 GPRESSURE: 2614000 118.924 -54.1571 -183.795 13.6791 -2.08876 -62.3665 -199 56.2363 113.414 PRESSAVG: 2614000 52.3638 2.14107 42.0953 2.14104 8.5209 -25.2569 42.0953 -25.257 -6.95356 GPRESSAVG: 2614000 51.6912 3.16116 40.1482 2.12806 8.79933 -27.7768 41.831 -22.2424 -6.75396 TIMING: 2614000 CPU: 8333.45, 0.00310692/step Wall: 8333.45, 0.00310692/step, 2.0592 hours remaining, 240.667969 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: 2614000 3947.3191 20455.7274 14448.2184 245.6402 -203425.7435 2611.5581 0.0000 0.0000 52106.3720 -109610.9082 299.4560 -161717.2802 -109249.2938 298.6629 51.5265 76.7498 761650.0734 17.9770 17.9122 PRESSURE: 2614200 65.7846 50.0761 -132.646 50.0774 -298.936 -190.874 -132.646 -190.875 228.67 GPRESSURE: 2614200 172.075 -54.1156 -104.004 90.3264 -428.72 -141.973 -63.0386 -216.627 318.091 PRESSAVG: 2614200 20.1527 -12.1169 13.1888 -12.1169 -8.7998 -12.7826 13.1888 -12.7826 2.06372 GPRESSAVG: 2614200 19.4641 -11.9441 14.8177 -11.9393 -8.01966 -7.98254 14.9 -16.2982 1.52894 TIMING: 2614200 CPU: 8334.07, 0.00311636/step Wall: 8334.07, 0.00311636/step, 2.06528 hours remaining, 240.667969 MB of memory in use. ENERGY: 2614200 3990.6809 20567.6893 14490.3898 253.1913 -203143.3520 2479.9521 0.0000 0.0000 51886.1629 -109475.2858 298.1905 -161361.4487 -109116.3231 298.7652 -1.4936 20.4821 762425.2614 4.4722 4.3245 PRESSURE: 2614400 -8.13915 -77.7149 72.9232 -77.7158 14.5909 -68.9043 72.9237 -68.9038 334.682 GPRESSURE: 2614400 130.102 -155.477 104.597 13.7277 11.9391 -102.617 20.9116 -148.199 288.438 PRESSAVG: 2614400 -6.39678 -46.3162 13.2652 -46.3162 21.1592 12.642 13.2653 12.642 -19.3743 GPRESSAVG: 2614400 -5.37047 -46.6487 12.3703 -45.942 20.3068 10.3563 14.8568 13.7677 -19.4324 TIMING: 2614400 CPU: 8334.7, 0.00311432/step Wall: 8334.7, 0.00311432/step, 2.06376 hours remaining, 240.667969 MB of memory in use. ENERGY: 2614400 3963.8968 20459.4430 14445.8732 245.1289 -203273.5987 2632.8250 0.0000 0.0000 52015.0387 -109511.3931 298.9311 -161526.4318 -109150.7621 299.5644 113.7112 143.4930 760108.1891 -1.5373 -1.4987 PRESSURE: 2614600 -197.084 -56.9322 -74.6959 -56.9322 34.6489 -125.835 -74.6963 -125.835 -132.463 GPRESSURE: 2614600 -81.3835 -33.2585 -88.4661 -64.0322 36.6242 -91.7657 -60.6862 -155.148 -162.454 PRESSAVG: 2614600 -28.6083 -7.94053 -4.24141 -7.94052 -6.63795 -9.80799 -4.2414 -9.80803 12.8581 GPRESSAVG: 2614600 -29.1777 -7.40116 -3.47717 -9.76316 -6.28548 -9.47678 -7.04921 -8.94963 12.9865 TIMING: 2614600 CPU: 8335.32, 0.00310323/step Wall: 8335.32, 0.00310323/step, 2.05623 hours remaining, 240.667969 MB of memory in use. ENERGY: 2614600 4004.7053 20333.3742 14593.3955 244.7282 -203519.9053 2651.3047 0.0000 0.0000 51956.4199 -109735.9774 298.5943 -161692.3974 -109373.1146 299.1008 -98.2993 -69.0712 760704.9373 -7.4627 -7.4922 PRESSURE: 2614800 -36.0917 -84.2069 -104.815 -84.2075 -519.07 -0.322479 -104.815 -0.32195 -370.038 GPRESSURE: 2614800 -63.0827 -44.2504 -65.9505 -13.8288 -404.132 -1.52979 -37.0599 -74.0247 -367.552 PRESSAVG: 2614800 8.81345 5.91106 -69.2238 5.91109 -49.805 -42.7165 -69.2238 -42.7164 -13.6061 GPRESSAVG: 2614800 8.81794 7.54887 -69.5159 6.4992 -50.5972 -43.4911 -67.5488 -41.4168 -13.1371 TIMING: 2614800 CPU: 8335.94, 0.00312364/step Wall: 8335.94, 0.00312364/step, 2.06958 hours remaining, 240.667969 MB of memory in use. ENERGY: 2614800 3998.8784 20396.7265 14488.7342 218.5425 -203557.6208 2716.5191 0.0000 0.0000 51980.9279 -109757.2921 298.7351 -161738.2200 -109393.8015 298.7878 -308.3999 -278.2556 760655.8919 -18.1992 -18.3054 PRESSURE: 2615000 -243.971 185.752 -137.973 185.751 24.8898 -138.267 -137.973 -138.268 180.594 GPRESSURE: 2615000 -170.727 137.207 -109.524 191.637 60.2986 -124.989 -100.947 -84.3612 157.714 PRESSAVG: 2615000 -38.0214 -42.2616 -52.0498 -42.2615 -11.6834 -41.771 -52.0498 -41.771 16.1481 GPRESSAVG: 2615000 -37.876 -44.7524 -50.3078 -40.3975 -12.1839 -41.0595 -54.6555 -43.692 16.2226 TIMING: 2615000 CPU: 8336.57, 0.00312917/step Wall: 8336.57, 0.00312917/step, 2.07308 hours remaining, 240.667969 MB of memory in use. ENERGY: 2615000 4017.9279 20406.4203 14466.6314 236.5163 -203600.8445 2644.2010 0.0000 0.0000 52104.7653 -109724.3822 299.4468 -161829.1475 -109362.7185 298.7405 -12.8292 15.7619 761541.6266 -11.1856 -11.2791 PRESSURE: 2615200 209.677 -143.857 -219.983 -143.857 -24.955 -171.276 -219.983 -171.277 172.121 GPRESSURE: 2615200 151.28 -84.0891 -225.351 -164.047 134.087 -35.3827 -186.398 -154.662 153.398 PRESSAVG: 2615200 7.68195 -18.1561 11.0583 -18.156 -0.619727 4.59534 11.0582 4.59537 -2.85454 GPRESSAVG: 2615200 6.15061 -17.4412 11.122 -18.1455 -0.183419 4.24153 12.8531 7.3692 -2.02648 TIMING: 2615200 CPU: 8337.2, 0.00313912/step Wall: 8337.2, 0.00313912/step, 2.07949 hours remaining, 240.667969 MB of memory in use. ENERGY: 2615200 4049.4041 20300.5411 14521.4644 239.3579 -203519.6946 2564.4134 0.0000 0.0000 52115.7164 -109728.7974 299.5097 -161844.5137 -109371.7188 298.5972 118.9477 146.2550 760295.2766 1.4026 1.3136 PRESSURE: 2615400 -62.3678 -143.924 -240.938 -143.924 80.7834 179.746 -240.937 179.745 -294.078 GPRESSURE: 2615400 -79.2751 -69.4012 -145.955 -62.2205 120.866 75.1075 -227.689 130.088 -251.077 PRESSAVG: 2615400 -47.2532 6.9153 -43.2018 6.91534 -0.482693 18.8683 -43.2018 18.8682 3.60423 GPRESSAVG: 2615400 -45.3871 8.64057 -44.3495 5.99335 -0.456145 18.978 -43.6289 17.4911 1.87175 TIMING: 2615400 CPU: 8337.83, 0.00317507/step Wall: 8337.83, 0.00317507/step, 2.10313 hours remaining, 240.667969 MB of memory in use. ENERGY: 2615400 3944.5727 20496.3411 14478.8908 212.1390 -203299.6594 2439.1128 0.0000 0.0000 52025.6016 -109703.0014 298.9918 -161728.6029 -109334.6824 298.6867 -91.8876 -69.8286 761239.5696 -14.7105 -14.6571 PRESSURE: 2615600 -545.015 -53.0508 -14.5302 -53.0505 -156.483 20.7772 -14.5305 20.778 -319.632 GPRESSURE: 2615600 -591.272 17.765 -5.05902 -72.7387 -162.722 102.786 2.24717 -58.4033 -201.395 PRESSAVG: 2615600 -40.7968 -42.0748 12.1306 -42.0748 28.2456 -2.7197 12.1306 -2.71977 23.0824 GPRESSAVG: 2615600 -41.2161 -42.9975 11.8991 -42.7789 28.6945 -3.49746 12.8775 -3.00964 23.5867 TIMING: 2615600 CPU: 8338.46, 0.00315205/step Wall: 8338.46, 0.00315205/step, 2.08771 hours remaining, 240.667969 MB of memory in use. ENERGY: 2615600 3991.0942 20672.5510 14541.0361 259.8598 -203296.5675 2475.5538 0.0000 0.0000 51908.8171 -109447.6555 298.3207 -161356.4726 -109096.3225 298.7589 -340.3768 -318.4633 762906.1967 3.5104 3.6884 PRESSURE: 2615800 214.196 -149.739 242.913 -149.739 -38.8938 -20.1885 242.914 -20.189 -316.807 GPRESSURE: 2615800 145.298 -69.8611 263.049 -152.723 190.384 -52.161 222.118 105.852 -382.995 PRESSAVG: 2615800 -42.7691 3.79498 8.02545 3.79498 13.9372 -4.80052 8.02543 -4.80053 17.957 GPRESSAVG: 2615800 -42.8478 1.98922 6.58933 6.20309 13.7925 -2.92573 8.00552 -5.61575 18.0143 TIMING: 2615800 CPU: 8339.08, 0.0031193/step Wall: 8339.08, 0.0031193/step, 2.06584 hours remaining, 240.667969 MB of memory in use. ENERGY: 2615800 4013.7380 20644.3502 14420.5546 242.6528 -203636.6000 2625.4619 0.0000 0.0000 52277.7217 -109412.1208 300.4408 -161689.8425 -109053.8355 299.7293 -47.1683 -15.7711 759937.5966 -3.6250 -3.6803 PRESSURE: 2616000 250.974 -21.5763 86.8487 -21.5765 -378.522 -41.4709 86.8484 -41.4706 -91.4273 GPRESSURE: 2616000 201.218 50.302 78.4804 -54.5471 -308.595 -82.6543 35.0452 -115.301 -19.8682 PRESSAVG: 2616000 -51.3781 1.79459 32.0412 1.79455 72.3278 4.41721 32.0412 4.41722 9.36372 GPRESSAVG: 2616000 -49.7335 4.60286 34.3355 0.814978 70.6948 2.83029 29.7022 5.84633 9.10138 TIMING: 2616000 CPU: 8339.71, 0.00311866/step Wall: 8339.71, 0.00311866/step, 2.06524 hours remaining, 240.667969 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: 2616000 4037.8872 20444.7077 14459.8340 248.5463 -203377.0602 2373.4265 0.0000 0.0000 52138.0038 -109674.6546 299.6378 -161812.6584 -109314.8572 299.4910 -72.9919 -42.4151 759490.1061 10.1045 10.0209 PRESSURE: 2616200 -218.667 -12.0981 -56.7893 -12.0974 77.9334 -189.036 -56.7896 -189.036 -340.234 GPRESSURE: 2616200 -208.257 -95.8003 -94.9125 -39.3772 77.5556 -122.478 -63.5572 -162.309 -268.277 PRESSAVG: 2616200 25.563 -29.8539 45.1153 -29.8538 25.8306 -41.0783 45.1153 -41.0782 6.39637 GPRESSAVG: 2616200 23.6864 -30.9391 43.8189 -29.6906 26.4845 -40.209 46.0244 -42.4675 7.48629 TIMING: 2616200 CPU: 8340.34, 0.00313811/step Wall: 8340.34, 0.00313811/step, 2.07795 hours remaining, 240.667969 MB of memory in use. ENERGY: 2616200 3938.6297 20512.1430 14534.5048 230.7985 -203409.2392 2532.6631 0.0000 0.0000 52129.6072 -109530.8929 299.5896 -161660.5001 -109168.1943 299.2221 -160.3226 -132.9928 761108.5232 19.2633 19.2191 LDB: ============= START OF LOAD BALANCING ============== 8352.79 LDB: ============== END OF LOAD BALANCING =============== 8352.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8352.79 LDB: ============= START OF LOAD BALANCING ============== 8353.1 LDB: Largest compute 7034 load 0.032999 is 16.9% of average load 0.195377 LDB: Average compute 0.004387 is 2.2% of average load 0.195377 LDB: TIME 8353.11 LOAD: AVG 0.195377 MAX 0.216589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 8353.11 LOAD: AVG 0.195377 MAX 0.216589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 8353.11 LOAD: AVG 0.195377 MAX 0.216589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 8353.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8353.11 PRESSURE: 2616400 -193.048 14.4443 -118.424 14.446 -553.33 -58.3542 -118.424 -58.3539 -100.119 GPRESSURE: 2616400 -114.771 20.7057 -91.1622 66.2785 -434.999 -28.7283 -140.518 -94.7911 -204.008 PRESSAVG: 2616400 -34.7807 2.06875 -27.6817 2.06876 38.36 28.447 -27.6817 28.447 -14.4452 GPRESSAVG: 2616400 -34.1295 1.22231 -28.0394 2.00608 39.5734 26.2458 -25.6658 29.4096 -15.8814 TIMING: 2616400 CPU: 8340.98, 0.00321157/step Wall: 8340.98, 0.00321157/step, 2.12641 hours remaining, 239.324219 MB of memory in use. ENERGY: 2616400 4003.9926 20628.9709 14523.9815 230.7339 -203331.0294 2325.2135 0.0000 0.0000 51973.8834 -109644.2538 298.6946 -161618.1371 -109282.0037 298.9278 -282.1658 -251.2591 761973.8984 -3.6220 -3.4792 PRESSURE: 2616600 168.957 61.9648 65.1679 61.9652 -366.092 46.2813 65.1681 46.2821 259.055 GPRESSURE: 2616600 183.335 16.7293 14.9475 61.5713 -304.679 2.41815 57.9616 141.431 251.679 PRESSAVG: 2616600 45.8367 18.9103 55.2226 18.9103 -36.2504 36.1225 55.2227 36.1225 -1.34925 GPRESSAVG: 2616600 45.5645 20.0708 54.8761 18.8973 -37.0374 37.1875 50.8653 37.0337 -0.0803636 TIMING: 2616600 CPU: 8341.61, 0.00316494/step Wall: 8341.61, 0.00316494/step, 2.09536 hours remaining, 239.324219 MB of memory in use. ENERGY: 2616600 3996.5097 20416.9673 14510.1705 256.4802 -203198.4109 2243.3439 0.0000 0.0000 52124.2534 -109650.6861 299.5588 -161774.9394 -109282.8583 298.6082 20.6402 43.4448 761835.5119 2.7457 2.8156 PRESSURE: 2616800 -4.98486 -121.169 63.2467 -121.168 -419.329 56.1764 63.2463 56.1766 170.587 GPRESSURE: 2616800 37.1115 -65.7461 69.3961 -51.1958 -267.256 47.9284 93.2798 83.1626 69.2523 PRESSAVG: 2616800 39.1916 -2.55695 -6.63763 -2.55699 -24.6013 9.58184 -6.63759 9.58192 15.4951 GPRESSAVG: 2616800 40.1954 -2.72686 -6.74557 -3.92029 -24.1672 9.31713 -3.97368 9.19789 14.306 TIMING: 2616800 CPU: 8342.24, 0.0031299/step Wall: 8342.24, 0.0031299/step, 2.07199 hours remaining, 239.324219 MB of memory in use. ENERGY: 2616800 4001.2173 20370.8025 14478.1747 243.6995 -203266.6338 2508.1818 0.0000 0.0000 51994.9022 -109669.6558 298.8154 -161664.5580 -109296.7141 298.5269 -84.5756 -53.6307 763637.0034 10.0285 10.1114 PRESSURE: 2617000 376.01 -209.295 39.7967 -209.296 -67.4592 135.175 39.7964 135.176 587.642 GPRESSURE: 2617000 400.058 -227.997 -6.13826 -206.527 66.4322 106.1 58.2281 -3.6831 535.287 PRESSAVG: 2617000 3.25491 -11.8817 1.74081 -11.8817 16.0406 72.5258 1.74076 72.5259 9.83302 GPRESSAVG: 2617000 3.52517 -12.8837 1.74083 -10.3844 15.81 71.7623 2.44885 71.4657 9.95957 TIMING: 2617000 CPU: 8342.86, 0.00311771/step Wall: 8342.86, 0.00311771/step, 2.06375 hours remaining, 239.324219 MB of memory in use. ENERGY: 2617000 3867.6334 20548.9089 14588.1911 245.7228 -203462.0196 2897.6662 0.0000 0.0000 52035.2863 -109278.6110 299.0475 -161313.8973 -108914.4612 299.4484 298.7311 333.9258 762297.6298 9.7095 9.7649 PRESSURE: 2617200 -257.573 -52.6911 9.71347 -52.6915 -335.93 -152.062 9.71354 -152.061 -66.6045 GPRESSURE: 2617200 -268.811 -86.3904 110.013 -82.164 -317.732 -189.062 -39.9789 -209.571 -12.8701 PRESSAVG: 2617200 -21.4563 -48.9743 -17.7785 -48.9743 25.7116 -38.6867 -17.7785 -38.6867 -15.4724 GPRESSAVG: 2617200 -21.8646 -49.4143 -17.5451 -50.3731 25.5668 -38.4034 -20.392 -38.6703 -15.3558 TIMING: 2617200 CPU: 8343.49, 0.0031276/step Wall: 8343.49, 0.0031276/step, 2.07012 hours remaining, 239.324219 MB of memory in use. ENERGY: 2617200 3876.1956 20417.8048 14476.8971 238.8515 -202853.8448 2411.2138 0.0000 0.0000 52142.5982 -109290.2837 299.6642 -161432.8819 -108917.9528 299.5042 -220.0359 -199.8043 762815.2050 -3.7390 -3.8845 PRESSURE: 2617400 450.611 54.0379 94.3101 54.0383 356.085 -207.603 94.3098 -207.603 -54.8566 GPRESSURE: 2617400 341.463 28.9743 90.7289 -4.006 412.904 -237.498 69.0545 -290.929 86.7018 PRESSAVG: 2617400 -10.9936 -54.0651 9.41367 -54.0651 0.0836042 -67.7667 9.41371 -67.7667 22.745 GPRESSAVG: 2617400 -10.4727 -52.6926 10.1401 -52.2845 0.251904 -66.475 12.1996 -69.1173 22.5162 TIMING: 2617400 CPU: 8344.11, 0.0031346/step Wall: 8344.11, 0.0031346/step, 2.07459 hours remaining, 239.324219 MB of memory in use. ENERGY: 2617400 3918.3942 20533.0278 14400.4195 238.0282 -203330.7657 2856.3981 0.0000 0.0000 52070.6361 -109313.8619 299.2507 -161384.4980 -108951.3463 299.3710 250.6129 280.3565 762053.8275 3.9450 4.0985 PRESSURE: 2617600 370.503 -27.7636 -40.0844 -27.7637 -168.91 -86.7181 -40.084 -86.7175 -281.814 GPRESSURE: 2617600 345.204 -133.235 -108.047 28.731 -76.5613 -19.299 -71.5837 -84.0393 -259.601 PRESSAVG: 2617600 42.1993 -28.82 35.0716 -28.82 -29.2809 -13.7055 35.0716 -13.7056 -8.67834 GPRESSAVG: 2617600 42.4923 -28.4839 34.5996 -28.492 -31.0563 -14.2347 35.5284 -11.8139 -7.72848 TIMING: 2617600 CPU: 8344.74, 0.00313064/step Wall: 8344.74, 0.00313064/step, 2.07179 hours remaining, 239.324219 MB of memory in use. ENERGY: 2617600 4006.8146 20451.2669 14505.6566 227.9092 -202686.7047 2198.1544 0.0000 0.0000 52042.2529 -109254.6502 299.0875 -161296.9031 -108895.0825 299.0780 -26.7402 3.0142 761713.7309 1.4134 1.2359 PRESSURE: 2617800 -320.244 143.671 112.273 143.671 105.312 -34.0222 112.274 -34.0217 -6.34341 GPRESSURE: 2617800 -249.014 134.503 70.1031 57.5496 126.836 26.042 178.225 -73.9515 -6.82557 PRESSAVG: 2617800 59.6996 -24.2237 -40.0933 -24.2237 -33.299 -55.5752 -40.0932 -55.5752 -2.39587 GPRESSAVG: 2617800 59.7173 -23.5947 -40.0388 -26.3299 -31.5176 -56.2436 -42.1755 -54.864 -4.09044 TIMING: 2617800 CPU: 8345.36, 0.00311381/step Wall: 8345.36, 0.00311381/step, 2.06048 hours remaining, 239.324219 MB of memory in use. ENERGY: 2617800 3965.5523 20454.2823 14500.2462 253.1605 -202917.2538 2242.8901 0.0000 0.0000 52236.9010 -109264.2214 300.2062 -161501.1225 -108898.5004 299.4272 -73.7584 -43.0013 760637.3819 8.0015 8.0364 PRESSURE: 2618000 208.886 -83.5208 94.3435 -83.5206 134.364 -211.036 94.344 -211.036 -61.7849 GPRESSURE: 2618000 234.817 -73.1993 88.9336 -13.5601 144.806 -190.67 198.828 -196.129 -10.438 PRESSAVG: 2618000 22.2092 -42.5618 -19.8765 -42.5618 -11.2539 -5.29964 -19.8766 -5.29971 -15.2555 GPRESSAVG: 2618000 21.4439 -43.8555 -19.8461 -41.1716 -10.9156 -5.0105 -16.8436 -5.22824 -14.3176 TIMING: 2618000 CPU: 8345.98, 0.0031027/step Wall: 8345.98, 0.0031027/step, 2.05295 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 3926.1794 20491.8638 14536.0240 247.3325 -202918.5205 2513.9363 0.0000 0.0000 51815.1938 -109387.9907 297.7826 -161203.1845 -109034.6972 299.1613 93.8218 123.0616 760938.3834 -1.4334 -1.2631 PRESSURE: 2618200 401.419 -222.744 57.6482 -222.744 88.5153 -148.909 57.6484 -148.91 195.282 GPRESSURE: 2618200 424.782 -94.0682 -16.7428 -363.057 46.2211 -143.539 -126.72 -87.8185 279.119 PRESSAVG: 2618200 -7.84263 -38.9793 36.0015 -38.9793 -24.337 27.558 36.0014 27.5579 31.7529 GPRESSAVG: 2618200 -6.50439 -38.5876 35.4507 -39.5277 -25.9419 28.3153 32.6674 26.4546 31.6945 TIMING: 2618200 CPU: 8346.61, 0.00312196/step Wall: 8346.61, 0.00312196/step, 2.06552 hours remaining, 239.324219 MB of memory in use. ENERGY: 2618200 3926.1555 20222.1827 14411.8720 266.5806 -203213.2304 2608.5887 0.0000 0.0000 52165.2053 -109612.6457 299.7942 -161777.8510 -109241.8912 298.6211 228.4053 250.0407 758702.0968 -0.1423 -0.2506 PRESSURE: 2618400 -70.4294 108.696 138.358 108.695 -1.22379 -71.4562 138.358 -71.4571 -278.89 GPRESSURE: 2618400 -46.1328 33.1763 204.456 114.865 34.8429 26.1948 130.751 -105.751 -238.391 PRESSAVG: 2618400 90.3548 -31.6144 -5.51041 -31.6144 -54.9412 -3.77256 -5.51038 -3.77256 8.78381 GPRESSAVG: 2618400 88.9274 -31.1001 -5.53145 -31.6268 -54.2621 -2.57661 -4.22006 -4.81034 9.44175 TIMING: 2618400 CPU: 8347.23, 0.00312375/step Wall: 8347.23, 0.00312375/step, 2.06653 hours remaining, 239.324219 MB of memory in use. ENERGY: 2618400 4071.8770 20486.6993 14468.6619 235.2455 -202832.0847 2410.3429 0.0000 0.0000 51885.3577 -109273.9004 298.1859 -161159.2581 -108910.3828 299.0311 -116.8476 -83.2269 761623.0345 14.7325 14.7023 PRESSURE: 2618600 -385.249 23.5024 29.566 23.5025 -105.497 -85.017 29.566 -85.0161 101.419 GPRESSURE: 2618600 -226.963 147.478 -14.1195 -97.294 -103.561 -95.2262 32.92 -67.5656 35.5097 PRESSAVG: 2618600 45.0398 -23.7619 16.1737 -23.7619 -5.48013 -1.91686 16.1737 -1.91681 18.6514 GPRESSAVG: 2618600 45.8756 -25.8904 16.2618 -22.308 -6.2787 -5.36184 15.1281 0.365115 18.3221 TIMING: 2618600 CPU: 8347.85, 0.00311402/step Wall: 8347.85, 0.00311402/step, 2.05993 hours remaining, 239.324219 MB of memory in use. ENERGY: 2618600 3995.0458 20476.9981 14473.5312 240.1960 -203030.5160 2312.0054 0.0000 0.0000 52266.4264 -109266.3131 300.3759 -161532.7395 -108902.2064 299.8388 -129.7756 -98.3380 761270.6101 19.4037 19.3063 PRESSURE: 2618800 -539.539 149.327 -110.641 149.327 -240.471 190.968 -110.641 190.967 -559.543 GPRESSURE: 2618800 -430.173 290.847 -72.6631 33.463 -308.311 150.799 -170.819 231.674 -527.732 PRESSAVG: 2618800 33.4982 -9.33947 17.3661 -9.33951 -69.8292 -18.9068 17.3661 -18.9069 -6.45969 GPRESSAVG: 2618800 34.1715 -6.49504 17.3737 -10.9357 -69.5504 -18.2753 18.647 -20.7414 -7.59312 TIMING: 2618800 CPU: 8348.48, 0.00311603/step Wall: 8348.48, 0.00311603/step, 2.06108 hours remaining, 239.324219 MB of memory in use. ENERGY: 2618800 4064.5797 20668.8267 14425.4657 230.0948 -203259.7875 2488.0798 0.0000 0.0000 52033.6965 -109349.0443 299.0384 -161382.7408 -109001.5569 299.4709 -446.5174 -422.0721 761981.8592 -14.2636 -14.3240 PRESSURE: 2619000 321.14 32.5269 -293.578 32.5272 48.2366 -89.3476 -293.578 -89.3472 236.731 GPRESSURE: 2619000 421.573 -117.158 -222.033 -14.4151 -11.5346 -103.958 -367.637 -45.3518 278.035 PRESSAVG: 2619000 -5.6999 -55.8878 -42.9371 -55.8878 4.76216 34.4655 -42.9371 34.4655 -6.27126 GPRESSAVG: 2619000 -6.06402 -57.1433 -44.1102 -55.7408 3.62145 35.2951 -42.951 34.8291 -5.22905 TIMING: 2619000 CPU: 8349.1, 0.00313273/step Wall: 8349.1, 0.00313273/step, 2.07195 hours remaining, 239.324219 MB of memory in use. ENERGY: 2619000 3936.1769 20484.2682 14444.2271 246.5051 -203230.6666 2561.5783 0.0000 0.0000 51934.9389 -109622.9722 298.4708 -161557.9111 -109262.1873 298.9231 202.0359 229.3578 761312.8281 -2.4030 -2.5572 PRESSURE: 2619200 -305.624 -11.0782 96.7202 -11.0782 255.912 -164.048 96.7206 -164.047 79.0408 GPRESSURE: 2619200 -360.623 -52.6969 108.704 -36.1371 347.677 -204.918 122.006 -161.808 126.91 PRESSAVG: 2619200 9.44119 -20.7386 -22.9786 -20.7386 -21.7587 -1.95436 -22.9785 -1.95431 14.8086 GPRESSAVG: 2619200 8.10543 -21.8593 -22.6716 -19.7755 -20.9915 -1.61998 -23.4837 -2.74616 15.1936 TIMING: 2619200 CPU: 8349.73, 0.00313437/step Wall: 8349.73, 0.00313437/step, 2.07286 hours remaining, 239.324219 MB of memory in use. ENERGY: 2619200 3965.4031 20400.7717 14513.8286 241.6294 -203459.0807 2785.1446 0.0000 0.0000 52138.3083 -109413.9950 299.6396 -161552.3033 -109045.4725 299.3838 9.7762 37.9879 761065.3604 0.8303 0.7692 PRESSURE: 2619400 -217.307 -157.804 -105.828 -157.804 1.27945 273.589 -105.828 273.588 103.977 GPRESSURE: 2619400 -84.8478 -230.901 -128.735 -185.787 51.4484 248.095 -9.38879 290.651 4.09644 PRESSAVG: 2619400 -39.8677 9.79398 -19.5993 9.79401 1.54945 16.0438 -19.5994 16.0437 5.50819 GPRESSAVG: 2619400 -40.4384 10.5896 -19.6145 8.15654 2.54291 16.0806 -18.9664 17.864 4.31847 TIMING: 2619400 CPU: 8350.36, 0.00313268/step Wall: 8350.36, 0.00313268/step, 2.07157 hours remaining, 239.324219 MB of memory in use. ENERGY: 2619400 4012.2957 20349.1916 14480.5119 230.3482 -203352.4416 2718.3339 0.0000 0.0000 52248.5250 -109313.2352 300.2730 -161561.7602 -108950.9772 299.5385 -37.3504 -9.7677 761860.8616 -10.9367 -11.1924 PRESSURE: 2619600 20.9902 -13.2481 62.8195 -13.2476 -118.528 41.6776 62.8198 41.6769 64.07 GPRESSURE: 2619600 66.2365 29.0727 169.092 90.3518 -116.729 20.621 40.183 -84.9743 108.809 PRESSAVG: 2619600 33.8997 -43.5571 1.24333 -43.5572 3.22744 -6.00929 1.24332 -6.00924 4.3028 GPRESSAVG: 2619600 36.1438 -44.1718 1.9156 -43.4535 0.407253 -7.00677 -0.346432 -7.85317 4.17397 TIMING: 2619600 CPU: 8350.99, 0.00314839/step Wall: 8350.99, 0.00314839/step, 2.08178 hours remaining, 239.324219 MB of memory in use. ENERGY: 2619600 4006.1643 20433.5145 14504.7276 245.5453 -203584.2335 2814.6901 0.0000 0.0000 52100.9448 -109478.6469 299.4248 -161579.5916 -109112.1160 299.5912 -11.1559 19.4388 760711.7287 13.8100 13.5750 PRESSURE: 2619800 -305.337 -70.1598 -140.803 -70.1606 -111.906 -79.8304 -140.802 -79.8301 -52.1019 GPRESSURE: 2619800 -288.914 -226.082 -93.2451 -123.395 28.1773 -104.767 -72.7342 -117.614 -121.27 PRESSAVG: 2619800 19.9502 -48.4287 -20.9486 -48.4286 -26.8534 -13.4893 -20.9486 -13.4893 8.69082 GPRESSAVG: 2619800 19.1824 -48.6409 -22.2398 -48.4709 -25.8404 -12.3367 -19.3986 -13.3509 7.99932 TIMING: 2619800 CPU: 8351.61, 0.00313196/step Wall: 8351.61, 0.00313196/step, 2.07075 hours remaining, 239.324219 MB of memory in use. ENERGY: 2619800 3887.1905 20629.1503 14506.8468 250.3273 -203054.2823 2296.9976 0.0000 0.0000 51824.1129 -109659.6569 297.8339 -161483.7698 -109303.0743 299.0460 -156.4484 -127.3357 762119.6359 0.5959 0.4471 PRESSURE: 2620000 266.761 10.9057 276.945 10.9046 129.36 -59.1168 276.945 -59.1159 -164.226 GPRESSURE: 2620000 260.431 53.1911 313.75 71.6588 156.823 32.6327 128.277 -69.8596 -93.338 PRESSAVG: 2620000 -28.8147 -59.7513 -33.3398 -59.7514 23.0619 -9.6886 -33.3397 -9.68866 5.07871 GPRESSAVG: 2620000 -28.243 -59.87 -33.0593 -58.5089 22.1167 -9.89329 -34.2272 -9.43365 6.01567 TIMING: 2620000 CPU: 8352.24, 0.00312554/step Wall: 8352.24, 0.00312554/step, 2.06633 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 4027.1756 20563.7372 14478.4861 248.7145 -203451.6874 2713.9587 0.0000 0.0000 52010.5932 -109409.0220 298.9056 -161419.6152 -109052.4054 298.6530 77.2983 107.9721 761540.3381 -0.2247 -0.0369 PRESSURE: 2620200 -234.502 130.748 -203.515 130.748 -203.152 -86.9587 -203.515 -86.9598 -297.556 GPRESSURE: 2620200 -196.611 184.457 -143.922 51.1703 -183.189 -12.8164 -145.606 -74.9848 -286.376 PRESSAVG: 2620200 49.3981 -36.5626 28.5413 -36.5626 -13.1228 -9.6057 28.5413 -9.60564 -1.80388 GPRESSAVG: 2620200 48.891 -35.6119 28.9515 -38.7737 -12.3555 -9.21221 28.8807 -11.5164 -2.37611 TIMING: 2620200 CPU: 8352.86, 0.00311947/step Wall: 8352.86, 0.00311947/step, 2.06215 hours remaining, 239.324219 MB of memory in use. ENERGY: 2620200 3993.2165 20452.0444 14532.0724 253.2471 -203664.5102 2849.4973 0.0000 0.0000 52185.8321 -109398.6004 299.9127 -161584.4325 -109028.5416 299.4527 -245.0702 -222.0587 761334.0755 11.4905 11.3865 LDB: ============= START OF LOAD BALANCING ============== 8365.31 LDB: ============== END OF LOAD BALANCING =============== 8365.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8365.31 LDB: ============= START OF LOAD BALANCING ============== 8365.62 LDB: Largest compute 7034 load 0.034177 is 17.5% of average load 0.195338 LDB: Average compute 0.004383 is 2.2% of average load 0.195338 LDB: TIME 8365.63 LOAD: AVG 0.195338 MAX 0.21844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 8365.63 LOAD: AVG 0.195338 MAX 0.21844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 8365.63 LOAD: AVG 0.195338 MAX 0.215781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 8365.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8365.64 PRESSURE: 2620400 -162.776 42.9914 -31.5104 42.9913 -55.1914 -176.858 -31.5103 -176.858 -408.459 GPRESSURE: 2620400 -240.174 115.849 -12.2864 -21.0438 64.3747 -147.861 3.83493 -170.019 -330.709 PRESSAVG: 2620400 -44.5659 -19.9489 9.71635 -19.9489 33.3974 -65.3304 9.71634 -65.3304 -8.43547 GPRESSAVG: 2620400 -44.966 -19.5392 10.4739 -18.9892 32.4596 -66.1003 7.73455 -63.9613 -6.97553 TIMING: 2620400 CPU: 8353.5, 0.0031857/step Wall: 8353.5, 0.0031857/step, 2.10575 hours remaining, 239.324219 MB of memory in use. ENERGY: 2620400 4116.1136 20604.0217 14409.6166 243.2347 -203181.6769 2544.7502 0.0000 0.0000 51839.9500 -109423.9902 297.9249 -161263.9402 -109062.5058 299.5249 -208.8086 -168.8360 763721.3985 -6.5347 -6.4940 PRESSURE: 2620600 -278.847 -112.503 68.6742 -112.504 -470.389 417.173 68.6741 417.172 -320.269 GPRESSURE: 2620600 -179.245 -88.2986 131.259 -36.8163 -417.352 375.967 46.6082 326.048 -388.624 PRESSAVG: 2620600 -39.2725 -23.9279 56.8502 -23.9279 -13.6655 -43.5669 56.8502 -43.5668 -10.3718 GPRESSAVG: 2620600 -39.0329 -24.1954 54.3396 -24.1428 -12.3726 -44.0863 58.0296 -41.9715 -11.9613 TIMING: 2620600 CPU: 8354.13, 0.00312934/step Wall: 8354.13, 0.00312934/step, 2.06832 hours remaining, 239.527344 MB of memory in use. ENERGY: 2620600 4093.2224 20565.4136 14457.7592 242.5530 -203361.5373 2592.3092 0.0000 0.0000 52057.5927 -109352.6872 299.1757 -161410.2799 -108986.5384 299.3224 -356.5018 -328.4072 762784.8047 -21.1033 -21.1223 PRESSURE: 2620800 -280.476 183.29 -181.082 183.29 -34.7524 -85.5816 -181.082 -85.5813 -68.8572 GPRESSURE: 2620800 -225.086 35.9689 -82.2361 97.7706 -42.926 -92.2039 -169.277 -193.264 -27.4066 PRESSAVG: 2620800 -17.2004 -28.8732 70.346 -28.8732 37.393 -37.7867 70.3459 -37.7867 4.94928 GPRESSAVG: 2620800 -18.7777 -30.7402 72.3618 -28.3442 37.2577 -38.1712 72.003 -40.0885 6.8885 TIMING: 2620800 CPU: 8354.75, 0.00313866/step Wall: 8354.75, 0.00313866/step, 2.07431 hours remaining, 239.527344 MB of memory in use. ENERGY: 2620800 3947.3272 20562.5442 14407.2221 221.9671 -203009.4566 2433.8784 0.0000 0.0000 51840.3431 -109596.1745 297.9272 -161436.5175 -109223.0332 299.1199 -128.0286 -98.4729 762562.2496 8.3806 8.4562 PRESSURE: 2621000 -253.197 -240.479 183.268 -240.48 143.177 120.583 183.268 120.582 -110.646 GPRESSURE: 2621000 -121.128 -206.327 158.35 -191.376 140.802 129.245 142.446 4.90227 -139.637 PRESSAVG: 2621000 4.27102 -63.9995 22.2183 -63.9995 21.8528 -51.2783 22.2182 -51.2783 23.1574 GPRESSAVG: 2621000 5.77088 -62.1539 22.6095 -64.2523 22.1412 -50.2282 22.1267 -49.9385 21.9559 TIMING: 2621000 CPU: 8355.38, 0.00313297/step Wall: 8355.38, 0.00313297/step, 2.07037 hours remaining, 239.527344 MB of memory in use. ENERGY: 2621000 3950.5958 20560.7138 14427.2862 241.2543 -203041.5214 2456.0752 0.0000 0.0000 51950.8962 -109454.6998 298.5625 -161405.5960 -109092.0893 298.6802 -73.5553 -39.9875 761132.2549 16.4271 16.6226 PRESSURE: 2621200 -108.324 -192.285 -298.067 -192.285 -374.374 -123.558 -298.067 -123.558 -486.209 GPRESSURE: 2621200 -193.477 -147.327 -306.832 -85.4173 -320.522 -176.531 -175.056 -27.1826 -348.086 PRESSAVG: 2621200 19.2279 -34.5859 -34.2034 -34.5859 -35.6006 -28.3906 -34.2033 -28.3907 1.02639 GPRESSAVG: 2621200 18.1942 -36.6682 -34.365 -33.6728 -35.3111 -28.3491 -34.4745 -30.1372 2.12761 TIMING: 2621200 CPU: 8356.01, 0.00314155/step Wall: 8356.01, 0.00314155/step, 2.07587 hours remaining, 239.527344 MB of memory in use. ENERGY: 2621200 3935.5245 20540.4720 14484.0540 228.7590 -202895.2391 2334.5704 0.0000 0.0000 51819.2465 -109552.6128 297.8059 -161371.8593 -109192.4140 299.0226 -322.9690 -287.3617 763430.0386 -5.1155 -4.9965 PRESSURE: 2621400 -27.9726 -84.8495 -138.088 -84.8501 30.3524 -64.6257 -138.089 -64.6254 261.963 GPRESSURE: 2621400 21.4441 -14.1659 -215.845 -91.5491 68.0043 -79.0215 -177.139 -42.6005 249.6 PRESSAVG: 2621400 -18.995 -44.7849 -8.98364 -44.7849 2.93359 39.9966 -8.98362 39.9966 6.46643 GPRESSAVG: 2621400 -18.7839 -42.6683 -9.40548 -45.6719 3.28512 40.5353 -8.65529 39.2201 5.36821 TIMING: 2621400 CPU: 8356.64, 0.00314788/step Wall: 8356.64, 0.00314788/step, 2.07987 hours remaining, 239.527344 MB of memory in use. ENERGY: 2621400 3928.9680 20517.0985 14501.1745 257.3741 -203229.2366 2561.0149 0.0000 0.0000 52043.4380 -109420.1687 299.0944 -161463.6066 -109052.4983 299.6550 88.1141 113.0162 762214.5962 -3.1983 -3.3769 PRESSURE: 2621600 -270.389 147.359 148.308 147.359 112.398 144.273 148.307 144.274 -199.798 GPRESSURE: 2621600 -209.323 20.7891 216.252 79.6511 107.602 182.944 187.443 146.706 -165.42 PRESSAVG: 2621600 -19.9475 -16.5318 17.3262 -16.5319 13.9891 -20.0956 17.3262 -20.0956 31.1699 GPRESSAVG: 2621600 -19.8852 -15.7299 17.915 -16.8308 12.5232 -20.2946 15.6774 -18.5349 31.7754 TIMING: 2621600 CPU: 8357.26, 0.0031338/step Wall: 8357.26, 0.0031338/step, 2.0704 hours remaining, 239.527344 MB of memory in use. ENERGY: 2621600 3999.9565 20548.4281 14500.2125 231.8424 -203286.2242 2392.3550 0.0000 0.0000 51970.3784 -109643.0514 298.6745 -161613.4297 -109274.1951 299.2591 -119.2629 -89.0470 762910.3883 8.4038 8.1378 PRESSURE: 2621800 -43.8654 -142.442 -37.399 -142.441 -168.931 -152.431 -37.398 -152.43 -92.6803 GPRESSURE: 2621800 28.0516 -6.58568 -24.8266 -96.7746 -157.957 -141.129 -147.129 110.365 -103.311 PRESSAVG: 2621800 20.1892 -6.26474 24.5039 -6.2647 -24.0953 -23.0837 24.5039 -23.0837 -59.6712 GPRESSAVG: 2621800 20.5442 -7.96005 23.4486 -6.45181 -23.5508 -24.3142 25.9694 -23.0694 -60.5778 TIMING: 2621800 CPU: 8357.89, 0.00313024/step Wall: 8357.89, 0.00313024/step, 2.06787 hours remaining, 239.527344 MB of memory in use. ENERGY: 2621800 3945.5080 20618.5828 14495.3145 237.5068 -203330.8706 2503.1443 0.0000 0.0000 51737.2347 -109793.5797 297.3346 -161530.8143 -109441.7212 298.5569 -101.8255 -77.7388 763083.5477 -21.1924 -21.1948 PRESSURE: 2622000 18.149 58.6446 137.236 58.6446 -202.317 -51.0863 137.235 -51.086 195.059 GPRESSURE: 2622000 29.7833 122.577 95.6431 43.6647 -170.905 -98.8897 111.534 -5.01264 228.14 PRESSAVG: 2622000 24.2687 -8.06613 44.842 -8.06614 26.7084 -52.3799 44.842 -52.3799 0.586042 GPRESSAVG: 2622000 22.714 -6.24434 44.6184 -8.94562 26.2488 -53.4656 42.6074 -51.7745 2.2445 TIMING: 2622000 CPU: 8358.52, 0.00312778/step Wall: 8358.52, 0.00312778/step, 2.06607 hours remaining, 239.527344 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: 2622000 3937.7137 20465.4308 14438.4772 241.5205 -203721.9848 2885.3448 0.0000 0.0000 51971.8405 -109781.6572 298.6829 -161753.4977 -109424.2623 298.2298 3.6302 29.0059 762393.0738 17.1877 17.0691 PRESSURE: 2622200 100.429 -37.9482 160.848 -37.9475 -283.914 231.589 160.848 231.587 171.656 GPRESSURE: 2622200 113.9 -77.0382 121.72 -60.3015 -234.202 243.577 217.539 226.68 203.905 PRESSAVG: 2622200 -14.3775 -57.1117 12.6198 -57.1116 16.3499 -44.1687 12.6198 -44.1687 10.2744 GPRESSAVG: 2622200 -14.7254 -58.7712 14.2121 -56.8675 17.6564 -43.2293 15.8306 -45.3272 9.70129 TIMING: 2622200 CPU: 8359.14, 0.00313306/step Wall: 8359.14, 0.00313306/step, 2.06939 hours remaining, 239.527344 MB of memory in use. ENERGY: 2622200 3970.4736 20493.0604 14476.0057 249.0948 -203508.9800 2756.5693 0.0000 0.0000 51853.2200 -109710.5562 298.0012 -161563.7762 -109355.4970 298.3824 -3.9430 27.8675 762513.6124 4.0823 4.2108 PRESSURE: 2622400 -336.238 -145.766 153.493 -145.766 45.4743 115.209 153.493 115.208 95.1285 GPRESSURE: 2622400 -364.047 -43.5425 141.944 -92.3352 70.4842 243.128 113.262 132.65 192.671 PRESSAVG: 2622400 -22.0391 -85.8862 -19.3697 -85.8862 -16.1556 -27.2657 -19.3697 -27.2657 -4.89955 GPRESSAVG: 2622400 -20.2373 -84.5601 -19.5351 -86.3786 -17.8398 -26.325 -20.9089 -26.8059 -4.73183 TIMING: 2622400 CPU: 8359.77, 0.00312712/step Wall: 8359.77, 0.00312712/step, 2.06529 hours remaining, 239.527344 MB of memory in use. ENERGY: 2622400 3969.8178 20478.9554 14511.6782 255.2296 -203495.3431 2658.9781 0.0000 0.0000 51942.2618 -109678.4221 298.5129 -161620.6839 -109314.6229 298.5040 -65.2117 -33.6305 761955.6310 -14.3648 -14.2696 PRESSURE: 2622600 175.246 -156.603 191.479 -156.604 19.9919 -139.338 191.479 -139.337 455.285 GPRESSURE: 2622600 222.479 -28.2316 229.047 -184.001 62.5262 -105.875 145.958 -80.6197 452.996 PRESSAVG: 2622600 9.51547 -59.322 -28.3224 -59.322 9.17652 -1.61473 -28.3224 -1.61477 5.0207 GPRESSAVG: 2622600 7.95971 -61.2162 -28.5455 -57.2517 9.97683 -1.80638 -29.7914 -1.16995 5.141 TIMING: 2622600 CPU: 8360.4, 0.00314284/step Wall: 8360.4, 0.00314284/step, 2.0755 hours remaining, 239.527344 MB of memory in use. ENERGY: 2622600 3963.5225 20510.8778 14480.4805 241.5049 -203242.0574 2578.2501 0.0000 0.0000 51934.4959 -109532.9257 298.4683 -161467.4216 -109180.8269 298.8309 216.8411 246.0004 760822.1457 7.9042 7.6925 PRESSURE: 2622800 -104.926 -268.96 -120.191 -268.96 29.4036 -51.0359 -120.191 -51.037 -232.992 GPRESSURE: 2622800 -118.756 -253.247 -87.2868 -227.178 76.4782 -97.2476 12.3311 42.4161 -168.765 PRESSAVG: 2622800 -16.3976 -23.8301 52.4246 -23.8301 24.3826 47.7218 52.4245 47.7218 3.73368 GPRESSAVG: 2622800 -15.1418 -23.0418 51.6404 -24.0862 23.6548 47.288 52.3873 47.2723 3.52163 TIMING: 2622800 CPU: 8361.02, 0.00312924/step Wall: 8361.02, 0.00312924/step, 2.06634 hours remaining, 239.527344 MB of memory in use. ENERGY: 2622800 3922.3661 20515.3703 14526.5800 249.1815 -203018.8378 2354.4055 0.0000 0.0000 52074.2227 -109376.7117 299.2713 -161450.9344 -109023.3662 298.7794 -102.8381 -70.3478 761720.0909 3.9062 4.0116 PRESSURE: 2623000 309.653 -3.87755 64.5237 -3.87791 264.355 -48.1808 64.5248 -48.1812 -230.501 GPRESSURE: 2623000 269.247 -27.8552 45.1065 9.73579 240.902 -38.5405 -52.0617 -11.1956 -80.7606 PRESSAVG: 2623000 -2.56263 -27.0398 29.9548 -27.0399 -4.59409 -18.7244 29.9547 -18.7245 -1.17506 GPRESSAVG: 2623000 -3.88722 -28.5746 29.9767 -26.2471 -4.38959 -17.4234 30.8505 -18.4589 -0.472913 TIMING: 2623000 CPU: 8361.65, 0.00312653/step Wall: 8361.65, 0.00312653/step, 2.06438 hours remaining, 239.527344 MB of memory in use. ENERGY: 2623000 3984.7814 20629.0864 14528.3893 243.6906 -203308.4837 2754.7306 0.0000 0.0000 52030.7760 -109137.0293 299.0216 -161167.8054 -108775.6419 299.6366 114.5024 143.1294 762333.4545 -2.7773 -2.9166 PRESSURE: 2623200 -3.15208 -24.0247 -169.521 -24.0255 -108.631 109.269 -169.521 109.269 -84.1769 GPRESSURE: 2623200 -56.845 11.0847 -168.214 -44.9635 -55.7533 19.344 -165.075 -54.4954 1.18037 PRESSAVG: 2623200 -43.7931 -0.44799 19.5728 -0.447986 51.7567 -33.1459 19.5728 -33.146 38.8027 GPRESSAVG: 2623200 -42.6366 2.69218 19.8998 -2.01064 51.4356 -32.7391 19.3576 -33.9606 38.2588 TIMING: 2623200 CPU: 8362.28, 0.00314993/step Wall: 8362.28, 0.00314993/step, 2.07965 hours remaining, 239.527344 MB of memory in use. ENERGY: 2623200 3925.3138 20657.1490 14463.2362 281.1122 -203095.2470 2359.8674 0.0000 0.0000 52015.1487 -109393.4198 298.9318 -161408.5684 -109044.0090 299.6395 -65.3200 -37.1393 761372.3230 15.5888 15.6859 PRESSURE: 2623400 166.723 106.676 -123.111 106.675 295.586 1.66906 -123.11 1.66927 163.817 GPRESSURE: 2623400 212.865 47.991 -114.525 177.637 342.465 -34.6052 -130.087 24.2458 141.646 PRESSAVG: 2623400 -9.96932 40.163 33.4941 40.163 -21.4879 -75.1175 33.4941 -75.1176 37.4819 GPRESSAVG: 2623400 -9.53313 38.3337 33.7246 41.138 -22.0667 -76.3639 35.9627 -75.1063 37.9607 TIMING: 2623400 CPU: 8362.91, 0.00314873/step Wall: 8362.91, 0.00314873/step, 2.07869 hours remaining, 239.527344 MB of memory in use. ENERGY: 2623400 3994.7572 20684.3222 14474.3127 245.1761 -203292.8920 2705.6430 0.0000 0.0000 52080.6679 -109108.0128 299.3083 -161188.6808 -108743.2378 299.3679 208.7085 232.3252 759908.9993 2.0082 2.1203 PRESSURE: 2623600 136.642 -225.576 -7.86703 -225.577 -550.859 91.585 -7.86746 91.5861 -244.458 GPRESSURE: 2623600 121.864 -147.278 -10.3966 -142.595 -517.856 -7.38853 28.6417 -26.3658 -199.842 PRESSAVG: 2623600 28.8231 -23.5598 35.2127 -23.5598 -27.4971 -32.6081 35.2127 -32.6081 -6.28882 GPRESSAVG: 2623600 28.5446 -24.1545 35.7917 -23.8409 -27.129 -33.0993 33.885 -33.2855 -5.89163 TIMING: 2623600 CPU: 8363.54, 0.00316269/step Wall: 8363.54, 0.00316269/step, 2.08772 hours remaining, 239.527344 MB of memory in use. ENERGY: 2623600 4000.3555 20647.1591 14468.9009 263.9988 -203146.0436 2404.4833 0.0000 0.0000 52421.7042 -108939.4417 301.2683 -161361.1459 -108567.0657 300.1364 -219.5583 -198.6112 761115.1624 -1.6543 -1.4920 PRESSURE: 2623800 -127.354 -111.407 156.83 -111.407 145.417 36.5885 156.83 36.5878 89.5134 GPRESSURE: 2623800 -139.965 -77.9798 88.6374 -58.5116 145.186 81.2529 222.072 -6.43016 168.825 PRESSAVG: 2623800 5.1564 -30.2306 5.41541 -30.2305 -9.20976 -25.3682 5.41536 -25.3682 16.7369 GPRESSAVG: 2623800 4.93754 -28.8742 5.30942 -30.8269 -8.6623 -25.1779 3.00559 -25.7839 16.4255 TIMING: 2623800 CPU: 8364.17, 0.00315603/step Wall: 8364.17, 0.00315603/step, 2.08316 hours remaining, 239.527344 MB of memory in use. ENERGY: 2623800 3910.4508 20592.7099 14547.7791 255.7730 -203094.7778 2505.8286 0.0000 0.0000 52171.2957 -109110.9407 299.8292 -161282.2364 -108749.8887 299.7747 35.8590 58.0151 761657.1652 4.2278 4.2336 PRESSURE: 2624000 -102.199 -95.6993 -19.1707 -95.6989 -127.335 1.40808 -19.1699 1.4075 -133.672 GPRESSURE: 2624000 -36.6049 -36.9219 -12.4099 -67.4106 -90.1893 -30.3118 -58.2932 66.1836 -137.027 PRESSAVG: 2624000 -16.7433 -23.3802 -46.0018 -23.3802 26.4845 -1.51255 -46.0018 -1.51252 2.44688 GPRESSAVG: 2624000 -17.6607 -26.3201 -46.6868 -22.1063 27.0409 -0.0728095 -44.6474 -0.866395 2.76463 TIMING: 2624000 CPU: 8364.8, 0.00313851/step Wall: 8364.8, 0.00313851/step, 2.07141 hours remaining, 239.527344 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: 2624000 4040.6712 20418.4746 14507.3713 248.4873 -203073.9866 2667.8696 0.0000 0.0000 52103.0996 -109088.0130 299.4372 -161191.1125 -108724.9089 299.3990 -121.0688 -87.9403 761961.9586 4.0627 4.0483 PRESSURE: 2624200 -48.7993 -170.476 71.2507 -170.476 -220.738 220.577 71.2508 220.575 17.6476 GPRESSURE: 2624200 100.366 -75.8076 95.9412 -207.171 -194.427 174.83 -75.9823 179.438 -61.2782 PRESSAVG: 2624200 -0.966436 -2.66409 22.9885 -2.66408 35.8798 29.0917 22.9885 29.0916 -8.5067 GPRESSAVG: 2624200 -0.396523 -0.0673901 24.1874 -3.06543 35.3919 27.6357 20.7698 29.8597 -9.46467 TIMING: 2624200 CPU: 8365.42, 0.00312181/step Wall: 8365.42, 0.00312181/step, 2.06022 hours remaining, 239.527344 MB of memory in use. ENERGY: 2624200 4022.2143 20515.3239 14489.0689 249.2485 -203093.0786 2431.7039 0.0000 0.0000 52047.9090 -109337.6101 299.1200 -161385.5191 -108977.7655 299.8706 -83.9633 -51.7796 762405.1975 8.8022 8.5103 LDB: ============= START OF LOAD BALANCING ============== 8377.88 LDB: ============== END OF LOAD BALANCING =============== 8377.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8377.88 LDB: ============= START OF LOAD BALANCING ============== 8378.19 LDB: Largest compute 7034 load 0.034397 is 17.6% of average load 0.195413 LDB: Average compute 0.004374 is 2.2% of average load 0.195413 LDB: TIME 8378.2 LOAD: AVG 0.195413 MAX 0.227417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 8378.2 LOAD: AVG 0.195413 MAX 0.227417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 8378.2 LOAD: AVG 0.195413 MAX 0.216246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 8378.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8378.2 PRESSURE: 2624400 390.415 -15.3103 12.8061 -15.3107 -34.5554 -172.239 12.8061 -172.239 110.932 GPRESSURE: 2624400 406.16 -45.7635 -40.1329 -39.7778 92.5631 -152.146 117.383 -178.1 60.1935 PRESSAVG: 2624400 39.7253 -19.6349 -28.6586 -19.6349 -53.1921 -11.0172 -28.6586 -11.0172 2.02884 GPRESSAVG: 2624400 39.1689 -20.5964 -29.0912 -19.946 -52.7155 -10.8196 -25.7544 -10.4907 2.16015 TIMING: 2624400 CPU: 8366.07, 0.00321828/step Wall: 8366.07, 0.00321828/step, 2.12371 hours remaining, 241.640625 MB of memory in use. ENERGY: 2624400 3937.1352 20536.2678 14532.5045 242.8773 -203662.5051 2796.4537 0.0000 0.0000 52120.2201 -109497.0465 299.5356 -161617.2666 -109144.3073 299.6076 155.5971 186.3056 761212.3219 -3.8126 -3.7955 PRESSURE: 2624600 -117.133 23.7001 -200.993 23.6995 39.3911 64.9882 -200.994 64.9876 -112.234 GPRESSURE: 2624600 -97.2139 -23.3176 -156.646 -13.214 138.208 -11.2291 -158.424 -37.2536 -141.48 PRESSAVG: 2624600 49.3862 -33.7152 15.1967 -33.7153 18.4726 -13.2576 15.1968 -13.2576 17.5279 GPRESSAVG: 2624600 49.6035 -32.9783 14.1848 -33.5778 18.0967 -13.4676 14.3788 -13.2681 17.964 TIMING: 2624600 CPU: 8366.7, 0.00314641/step Wall: 8366.7, 0.00314641/step, 2.07611 hours remaining, 241.640625 MB of memory in use. ENERGY: 2624600 4031.0897 20452.9870 14524.2835 253.5326 -203541.4658 2661.0110 0.0000 0.0000 52098.2641 -109520.2979 299.4094 -161618.5620 -109157.2052 299.5048 -63.3254 -33.4953 760884.0910 28.4623 28.5547 PRESSURE: 2624800 302.182 161.42 -110.023 161.42 -13.601 -7.97753 -110.022 -7.97745 -47.5489 GPRESSURE: 2624800 306.127 146.17 -111.828 170.58 103.414 -15.1964 -83.6309 40.955 -82.1338 PRESSAVG: 2624800 -30.5231 -2.50606 -5.56703 -2.50603 11.2542 10.0498 -5.56707 10.0498 -3.36963 GPRESSAVG: 2624800 -31.03 -2.29033 -4.66156 -3.74398 11.7875 9.71102 -7.77189 11.0378 -3.43109 TIMING: 2624800 CPU: 8367.32, 0.00311948/step Wall: 8367.32, 0.00311948/step, 2.05816 hours remaining, 241.640625 MB of memory in use. ENERGY: 2624800 4021.0190 20288.1921 14503.8230 259.1365 -203072.8283 2436.7289 0.0000 0.0000 52152.4234 -109411.5054 299.7207 -161563.9288 -109050.6852 298.9184 80.3439 109.1355 760896.4070 -7.5462 -7.5578 PRESSURE: 2625000 -204.475 -111.279 -38.1512 -111.278 39.3251 28.1227 -38.1523 28.1214 -46.8194 GPRESSURE: 2625000 -151.395 -144.479 96.7265 58.0932 30.8352 87.2882 -20.0928 38.0788 -6.3069 PRESSAVG: 2625000 -23.3722 -1.56523 32.3766 -1.56522 13.0285 1.18188 32.3766 1.18184 2.66977 GPRESSAVG: 2625000 -22.8972 -1.95411 32.5951 0.0724986 12.5872 3.08492 34.5075 -0.560742 2.98336 TIMING: 2625000 CPU: 8367.94, 0.00310839/step Wall: 8367.94, 0.00310839/step, 2.05067 hours remaining, 241.640625 MB of memory in use. ENERGY: 2625000 3947.0981 20498.9831 14508.8914 252.8112 -203351.1296 2539.6117 0.0000 0.0000 52282.2190 -109321.5151 300.4666 -161603.7341 -108971.2710 299.6647 -70.6564 -42.2890 762335.3584 -2.5580 -2.4422 PRESSURE: 2625200 -296.263 88.8848 260.062 88.8854 32.6454 4.67589 260.061 4.67595 -259.282 GPRESSURE: 2625200 -245.676 69.7959 239.196 47.3141 65.0222 -38.2777 195.598 81.0493 -243.887 PRESSAVG: 2625200 8.47869 -27.7092 -18.8436 -27.7092 -8.58422 -12.1637 -18.8436 -12.1636 10.1987 GPRESSAVG: 2625200 8.87943 -25.7711 -18.4963 -28.4301 -8.52874 -11.5767 -18.8532 -14.2085 9.91174 TIMING: 2625200 CPU: 8368.57, 0.00311753/step Wall: 8368.57, 0.00311753/step, 2.05653 hours remaining, 241.640625 MB of memory in use. ENERGY: 2625200 3973.8963 20502.8188 14588.6001 252.1501 -202930.3606 2432.9256 0.0000 0.0000 52028.5670 -109151.4028 299.0089 -161179.9698 -108788.3363 299.2228 -174.2998 -141.5135 763508.7062 3.3644 3.4208 PRESSURE: 2625400 -378.624 -52.2913 176.323 -52.2908 -331.331 -131.421 176.324 -131.421 36.6531 GPRESSURE: 2625400 -264.775 -90.0005 242.031 -31.7949 -269.291 -89.2904 93.4624 -126.128 -40.7371 PRESSAVG: 2625400 -23.0031 -44.0308 -11.7989 -44.0308 44.5133 -7.66159 -11.7989 -7.66161 -7.00145 GPRESSAVG: 2625400 -23.1805 -46.3464 -11.974 -43.2893 44.7084 -9.88776 -11.2559 -4.45026 -6.91167 TIMING: 2625400 CPU: 8369.19, 0.00312026/step Wall: 8369.19, 0.00312026/step, 2.05816 hours remaining, 241.640625 MB of memory in use. ENERGY: 2625400 4014.9775 20502.8918 14457.5845 246.5676 -203308.4926 2590.4060 0.0000 0.0000 52129.8687 -109366.1964 299.5911 -161496.0651 -109002.2314 299.4881 -224.4339 -191.6008 761543.9896 4.8362 4.8721 PRESSURE: 2625600 -10.2434 -161.186 -31.4006 -161.185 -426.239 88.8087 -31.4004 88.8081 587.006 GPRESSURE: 2625600 -69.3054 -77.2009 12.5771 -140.471 -223.755 -76.9457 -80.4271 151.744 513.998 PRESSAVG: 2625600 22.4622 -73.4789 -60.5975 -73.4789 35.6866 14.2992 -60.5974 14.2992 -0.0765216 GPRESSAVG: 2625600 21.3393 -72.612 -60.5431 -73.6828 36.6526 15.3752 -62.6108 13.9487 -0.646788 TIMING: 2625600 CPU: 8369.81, 0.0031242/step Wall: 8369.81, 0.0031242/step, 2.06058 hours remaining, 241.640625 MB of memory in use. ENERGY: 2625600 3929.5175 20492.6078 14500.6430 230.9979 -203271.0779 2562.4417 0.0000 0.0000 52063.3956 -109491.4744 299.2091 -161554.8700 -109127.8531 299.2905 50.1746 73.6457 761853.1900 19.3574 19.1150 PRESSURE: 2625800 -482.159 -94.8132 91.8074 -94.813 111.383 84.3582 91.8074 84.3562 146.93 GPRESSURE: 2625800 -373.215 -109.206 18.3528 -131.778 77.9134 106.908 128.854 60.375 133.677 PRESSAVG: 2625800 -10.8995 -35.839 21.9215 -35.839 -5.78439 -14.6933 21.9215 -14.6933 -7.30688 GPRESSAVG: 2625800 -9.81436 -35.3687 22.1555 -36.5332 -6.84316 -14.2096 21.3649 -16.4752 -7.88318 TIMING: 2625800 CPU: 8370.44, 0.00312314/step Wall: 8370.44, 0.00312314/step, 2.05971 hours remaining, 241.640625 MB of memory in use. ENERGY: 2625800 3957.1847 20549.9806 14570.4108 253.7958 -203610.7778 2784.7978 0.0000 0.0000 52016.8642 -109477.7438 298.9416 -161494.6080 -109111.9889 299.2734 -74.6152 -53.8749 761496.2195 -7.9969 -8.1802 PRESSURE: 2626000 296.248 -264.249 -12.3446 -264.25 -195.345 95.2521 -12.345 95.2516 -67.5834 GPRESSURE: 2626000 200.379 -219.729 57.2301 -222.686 -50.5225 146.991 -100.707 -39.0781 -27.4021 PRESSAVG: 2626000 -2.26498 -26.9882 -15.6996 -26.9881 9.44527 -22.0396 -15.6997 -22.0395 14.615 GPRESSAVG: 2626000 -3.2302 -26.5414 -15.9471 -24.0733 9.94969 -22.7074 -14.8797 -21.8487 15.6483 TIMING: 2626000 CPU: 8371.06, 0.00310931/step Wall: 8371.06, 0.00310931/step, 2.05042 hours remaining, 241.640625 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: 2626000 3959.9678 20586.9332 14550.8177 234.2798 -203594.6683 2706.2173 0.0000 0.0000 51967.3904 -109589.0621 298.6573 -161556.4525 -109223.6200 298.9139 11.1065 40.8183 761197.6600 7.2651 7.4559 PRESSURE: 2626200 120.917 -62.6588 -196.152 -62.6583 411.961 108.869 -196.152 108.868 166.602 GPRESSURE: 2626200 205.355 -2.35053 -203.959 -133.365 360.717 144.241 -148.214 81.828 209.962 PRESSAVG: 2626200 15.373 -36.4487 -6.27153 -36.4487 2.64872 -0.321386 -6.27155 -0.321379 -4.46765 GPRESSAVG: 2626200 16.3768 -37.9832 -5.86097 -38.4856 1.26532 -1.26355 -3.42104 -1.34622 -3.95482 TIMING: 2626200 CPU: 8371.69, 0.00312298/step Wall: 8371.69, 0.00312298/step, 2.05926 hours remaining, 241.640625 MB of memory in use. ENERGY: 2626200 3946.8735 20596.0047 14526.8608 235.7322 -203462.9596 2697.1816 0.0000 0.0000 51880.4461 -109579.8607 298.1576 -161460.3068 -109211.2091 299.2637 233.1601 258.6781 760828.3448 4.5180 4.5624 PRESSURE: 2626400 -102.531 -72.2313 177.948 -72.2307 -327.015 48.562 177.948 48.5625 -125.264 GPRESSURE: 2626400 -23.9823 65.6267 139.879 -54.066 -347.509 114.187 86.2503 47.4999 -89.0915 PRESSAVG: 2626400 -77.0716 -32.0341 13.3563 -32.0341 65.2492 45.7054 13.3563 45.7054 -24.7437 GPRESSAVG: 2626400 -77.2469 -30.5409 13.1109 -30.8906 66.4046 47.2702 12.5008 47.5613 -24.8322 TIMING: 2626400 CPU: 8372.31, 0.00314462/step Wall: 8372.31, 0.00314462/step, 2.07335 hours remaining, 241.640625 MB of memory in use. ENERGY: 2626400 3995.2757 20621.9967 14548.3091 248.6154 -203491.4282 2584.1476 0.0000 0.0000 52038.2837 -109454.7999 299.0647 -161493.0836 -109095.0167 299.1881 -184.9365 -153.5277 762112.4141 -12.1887 -11.8915 PRESSURE: 2626600 76.3541 61.1028 76.1361 61.1025 164.663 8.79895 76.1366 8.79944 -121.845 GPRESSURE: 2626600 49.16 59.2283 44.0681 79.5188 224.612 -8.14265 60.9111 160.01 -62.143 PRESSAVG: 2626600 -9.97513 -53.1251 11.3401 -53.125 -22.7764 14.6422 11.34 14.6422 -2.67589 GPRESSAVG: 2626600 -9.79798 -55.7236 9.90426 -52.5654 -23.6599 13.9248 13.7625 14.5012 -2.44221 TIMING: 2626600 CPU: 8372.95, 0.00316857/step Wall: 8372.95, 0.00316857/step, 2.08897 hours remaining, 241.640625 MB of memory in use. ENERGY: 2626600 3935.0583 20489.9132 14524.0709 228.7286 -203731.3960 2644.4932 0.0000 0.0000 52354.7558 -109554.3759 300.8835 -161909.1316 -109180.9668 299.4169 39.7239 70.5431 760761.7075 -11.8091 -11.9667 PRESSURE: 2626800 -314.422 42.0608 -30.6601 42.0608 84.7735 -153.862 -30.6603 -153.862 -19.6793 GPRESSURE: 2626800 -258.907 120.081 -78.2818 115.219 78.842 -106.192 -39.5472 -145.077 31.3927 PRESSAVG: 2626800 -24.1093 -19.2937 -3.22595 -19.2937 44.6989 -0.427768 -3.22593 -0.427825 3.40675 GPRESSAVG: 2626800 -25.8778 -18.2484 -1.53923 -20.1248 46.3883 -1.11224 -5.1002 -0.956508 2.90512 TIMING: 2626800 CPU: 8373.57, 0.00313171/step Wall: 8373.57, 0.00313171/step, 2.06449 hours remaining, 241.640625 MB of memory in use. ENERGY: 2626800 3963.8338 20570.2231 14537.7629 251.7106 -203784.7697 2683.6663 0.0000 0.0000 52109.6613 -109667.9117 299.4749 -161777.5730 -109308.9525 298.8294 -83.1092 -49.5573 760269.8917 7.9988 7.8052 PRESSURE: 2627000 -346.402 107.92 -130.949 107.92 -110.324 -1.32421 -130.948 -1.32515 202.039 GPRESSURE: 2627000 -193.657 151.928 -232.43 37.5081 -149.674 -15.1485 -6.66624 22.8853 174.419 PRESSAVG: 2627000 -34.0197 -35.3764 -19.1609 -35.3764 10.3195 8.30496 -19.1609 8.305 -7.55915 GPRESSAVG: 2627000 -32.7695 -34.3503 -19.9889 -36.787 10.3347 7.7164 -17.3684 9.07635 -8.18937 TIMING: 2627000 CPU: 8374.2, 0.00312775/step Wall: 8374.2, 0.00312775/step, 2.06171 hours remaining, 241.640625 MB of memory in use. ENERGY: 2627000 4046.2092 20552.2167 14456.2514 261.4214 -203479.0876 2649.1835 0.0000 0.0000 51932.1712 -109581.6342 298.4549 -161513.8053 -109219.8101 299.2723 -84.8956 -56.3043 761313.0100 -10.4198 -10.2081 PRESSURE: 2627200 -340.589 87.4089 -61.7253 87.4092 -80.0841 51.6388 -61.7255 51.6391 -317.841 GPRESSURE: 2627200 -296.184 -28.008 -93.9776 166.655 33.2706 10.9908 -110.319 -31.2829 -385.656 PRESSAVG: 2627200 -25.131 -43.6507 5.46903 -43.6507 3.03833 -3.40236 5.46909 -3.40233 20.443 GPRESSAVG: 2627200 -23.7171 -42.5275 5.19638 -43.5308 1.75376 -1.67271 2.58867 -4.79533 20.7773 TIMING: 2627200 CPU: 8374.83, 0.00312565/step Wall: 8374.83, 0.00312565/step, 2.06015 hours remaining, 241.640625 MB of memory in use. ENERGY: 2627200 4034.7146 20481.5696 14489.4678 256.7007 -203246.0813 2438.5673 0.0000 0.0000 51775.3678 -109769.6935 297.5538 -161545.0613 -109408.4025 299.2111 -246.1715 -216.1897 760624.0889 -0.5499 -0.3953 PRESSURE: 2627400 -103.82 -111.173 -75.1832 -111.173 -10.3174 148.494 -75.1835 148.494 -266.737 GPRESSURE: 2627400 -31.2795 -92.7613 -74.6597 -9.45856 -70.9751 196.471 -3.95486 80.0351 -204.813 PRESSAVG: 2627400 8.10556 -70.73 -8.6758 -70.7299 -36.8075 29.6035 -8.67582 29.6035 7.91207 GPRESSAVG: 2627400 7.51751 -71.9445 -8.4178 -69.4156 -38.5622 28.9573 -7.05615 29.386 9.65032 TIMING: 2627400 CPU: 8375.45, 0.00311088/step Wall: 8375.45, 0.00311088/step, 2.05024 hours remaining, 241.640625 MB of memory in use. ENERGY: 2627400 4054.2717 20391.7450 14520.0872 239.4735 -203689.0555 2682.2718 0.0000 0.0000 51974.2676 -109826.9386 298.6968 -161801.2062 -109464.7490 298.3834 -126.9580 -102.3559 760227.2295 -6.9300 -7.1315 PRESSURE: 2627600 173.276 -73.6871 -53.0307 -73.6874 451.511 27.1949 -53.0304 27.1945 48.745 GPRESSURE: 2627600 154.19 -52.741 -171.523 -51.5405 492.814 80.9933 -86.9902 74.5908 95.3437 PRESSAVG: 2627600 15.9073 -44.8504 50.5911 -44.8504 -1.36156 -4.35636 50.591 -4.3563 13.6362 GPRESSAVG: 2627600 13.8071 -43.7061 51.4972 -46.2173 1.31179 -4.35934 51.0961 -4.81819 13.0348 TIMING: 2627600 CPU: 8376.07, 0.00309988/step Wall: 8376.07, 0.00309988/step, 2.04282 hours remaining, 241.640625 MB of memory in use. ENERGY: 2627600 3955.8868 20526.7883 14500.0970 226.7790 -203613.2610 2795.3705 0.0000 0.0000 51813.0990 -109795.2404 297.7706 -161608.3395 -109443.9681 298.9656 224.5107 247.4491 759080.2278 9.3940 9.3846 PRESSURE: 2627800 380.504 -122.543 160.451 -122.542 279.796 114.937 160.451 114.937 274.2 GPRESSURE: 2627800 431.806 -85.7009 206.454 -193.778 340.934 144.086 124.102 92.0656 266.178 PRESSAVG: 2627800 -12.6997 -3.48546 -21.3111 -3.48538 13.8717 -2.91866 -21.3111 -2.91876 5.09341 GPRESSAVG: 2627800 -11.1868 -5.00462 -22.1481 -2.46912 13.6533 -1.85647 -23.2185 -1.66649 4.2074 TIMING: 2627800 CPU: 8376.69, 0.00313433/step Wall: 8376.69, 0.00313433/step, 2.06535 hours remaining, 241.640625 MB of memory in use. ENERGY: 2627800 3982.5578 20463.0946 14467.4429 240.0535 -203902.9759 2889.8051 0.0000 0.0000 52065.6191 -109794.4029 299.2218 -161860.0220 -109435.7510 298.7239 311.5000 346.3058 759967.1153 2.0885 2.2246 PRESSURE: 2628000 -75.7027 120.981 10.1614 120.981 117.428 -179.725 10.1609 -179.725 -25.3587 GPRESSURE: 2628000 40.7581 125.763 21.3432 14.6735 76.2209 -270.368 -7.53228 -165.775 7.64663 PRESSAVG: 2628000 7.27644 3.84625 0.673481 3.84619 15.9988 8.25768 0.673438 8.25769 -2.37916 GPRESSAVG: 2628000 6.42198 1.93003 1.42207 3.63651 15.4806 8.00073 1.50279 7.80833 -0.803288 TIMING: 2628000 CPU: 8377.32, 0.00312521/step Wall: 8377.32, 0.00312521/step, 2.05916 hours remaining, 241.640625 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: 2628000 4008.9722 20570.6010 14379.9289 263.5832 -203580.3362 2649.9571 0.0000 0.0000 51998.8096 -109708.4842 298.8379 -161707.2937 -109351.7963 298.5488 5.4555 41.5419 759394.6503 6.9654 7.0331 PRESSURE: 2628200 83.6331 -114.112 86.2649 -114.112 77.8472 112.087 86.2648 112.088 -129.19 GPRESSURE: 2628200 63.4795 -134.39 16.9238 -210.561 165.878 100.54 109.1 93.1883 -109.634 PRESSAVG: 2628200 -14.6398 -23.0847 105.723 -23.0848 23.6765 -8.49881 105.723 -8.49878 -5.7335 GPRESSAVG: 2628200 -14.441 -21.3963 103.277 -23.7448 23.9446 -9.87868 106.625 -9.01735 -6.03919 TIMING: 2628200 CPU: 8377.94, 0.00312756/step Wall: 8377.94, 0.00312756/step, 2.06054 hours remaining, 241.640625 MB of memory in use. ENERGY: 2628200 3989.6251 20385.5345 14482.1617 235.8939 -203019.6919 2345.1779 0.0000 0.0000 51992.2509 -109589.0479 298.8002 -161581.2988 -109223.8800 298.7652 10.7635 39.9079 761051.4732 1.1011 1.1548 LDB: ============= START OF LOAD BALANCING ============== 8390.39 LDB: ============== END OF LOAD BALANCING =============== 8390.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8390.39 LDB: ============= START OF LOAD BALANCING ============== 8390.71 LDB: Largest compute 7073 load 0.033397 is 17.1% of average load 0.195350 LDB: Average compute 0.004380 is 2.2% of average load 0.195350 LDB: TIME 8390.71 LOAD: AVG 0.19535 MAX 0.219188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8390.71 LOAD: AVG 0.19535 MAX 0.219188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 8390.71 LOAD: AVG 0.19535 MAX 0.214775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 8390.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8390.72 PRESSURE: 2628400 30.7789 45.3181 45.0973 45.3174 -12.4694 42.569 45.0969 42.5687 92.4869 GPRESSURE: 2628400 79.9618 90.2844 181.615 62.6138 42.6282 96.3406 -17.2108 82.4192 73.8105 PRESSAVG: 2628400 -14.2904 -33.3729 90.4778 -33.3729 5.24662 -8.63274 90.4777 -8.63276 3.9412 GPRESSAVG: 2628400 -14.3286 -33.558 89.7928 -32.7941 5.45768 -8.34689 91.1386 -8.19829 3.91653 TIMING: 2628400 CPU: 8378.58, 0.00319039/step Wall: 8378.58, 0.00319039/step, 2.10176 hours remaining, 240.039062 MB of memory in use. ENERGY: 2628400 3985.9312 20475.7416 14525.7090 246.2982 -203565.7997 2805.5773 0.0000 0.0000 51898.5711 -109627.9713 298.2618 -161526.5424 -109266.5390 298.4320 36.9321 65.4668 761137.2278 -1.7009 -1.6515 PRESSURE: 2628600 190.852 113.581 25.7453 113.581 108.663 102.336 25.745 102.337 -33.1478 GPRESSURE: 2628600 187.206 190.812 -28.6315 110.455 151.85 129.354 178.104 64.5463 1.36069 PRESSAVG: 2628600 56.4473 0.706074 67.2127 0.706029 -13.231 26.2857 67.2127 26.2857 -8.24735 GPRESSAVG: 2628600 55.3173 -0.335082 69.0212 -0.911634 -11.7428 26.4198 65.1853 26.0323 -8.73695 TIMING: 2628600 CPU: 8379.21, 0.00311496/step Wall: 8379.21, 0.00311496/step, 2.0519 hours remaining, 240.039062 MB of memory in use. ENERGY: 2628600 3922.2963 20710.6624 14453.1068 258.0950 -203538.0070 2659.3945 0.0000 0.0000 51979.0879 -109555.3640 298.7245 -161534.4519 -109191.1567 298.8938 88.7893 113.4721 760036.2891 11.6563 11.6125 PRESSURE: 2628800 -402.794 -134.607 156.619 -134.608 -154.342 -8.50075 156.619 -8.5018 -191.428 GPRESSURE: 2628800 -343.023 -175.221 145.8 -93.8323 -158.783 3.9935 215.575 80.4559 -164.54 PRESSAVG: 2628800 -6.91829 -29.909 -7.63148 -29.909 14.4028 15.2093 -7.63149 15.2093 17.2313 GPRESSAVG: 2628800 -5.90909 -28.7281 -8.69782 -28.2172 13.033 14.1942 -5.97288 16.1024 18.1664 TIMING: 2628800 CPU: 8379.83, 0.00310485/step Wall: 8379.83, 0.00310484/step, 2.04506 hours remaining, 240.039062 MB of memory in use. ENERGY: 2628800 4010.7975 20501.9978 14419.0482 234.1108 -203239.4960 2377.0057 0.0000 0.0000 52066.2183 -109630.3177 299.2253 -161696.5360 -109267.3533 299.0385 -249.5215 -222.1153 761233.8385 8.2386 8.4301 PRESSURE: 2629000 -226.119 -91.0562 -38.8652 -91.056 -16.1633 -28.7828 -38.8643 -28.7821 247.965 GPRESSURE: 2629000 -154.321 -67.2557 -20.9852 34.5607 61.6941 -42.1013 -78.6241 -30.1512 183.611 PRESSAVG: 2629000 -17.084 -66.5394 60.6607 -66.5393 29.2544 1.60295 60.6607 1.60292 2.39698 GPRESSAVG: 2629000 -15.3521 -68.1493 61.6946 -65.9257 27.9169 3.32212 59.8422 1.71662 1.4197 TIMING: 2629000 CPU: 8380.45, 0.0031029/step Wall: 8380.45, 0.0031029/step, 2.04361 hours remaining, 240.039062 MB of memory in use. ENERGY: 2629000 4009.1060 20638.8835 14393.3916 236.1799 -203263.9067 2526.4637 0.0000 0.0000 51810.3930 -109649.4890 297.7550 -161459.8819 -109301.4771 299.1128 1.8944 30.3279 761874.5647 4.8558 4.6615 PRESSURE: 2629200 142.381 -218.265 -71.606 -218.265 -20.6161 213.523 -71.6059 213.522 -301.666 GPRESSURE: 2629200 133.875 -219.566 -85.7465 -107.013 -5.24827 131.906 -63.872 68.355 -193.65 PRESSAVG: 2629200 2.27381 -71.6502 -5.90447 -71.6502 -4.69453 -11.0077 -5.9045 -11.0077 -8.42427 GPRESSAVG: 2629200 1.59386 -69.3467 -5.75478 -72.4483 -4.4618 -10.8129 -4.9807 -13.2388 -7.83642 TIMING: 2629200 CPU: 8381.07, 0.00311615/step Wall: 8381.07, 0.00311615/step, 2.05216 hours remaining, 240.039062 MB of memory in use. ENERGY: 2629200 3949.1954 20342.4523 14425.7005 256.6177 -203382.0778 2507.8478 0.0000 0.0000 52024.2751 -109875.9891 298.9842 -161900.2642 -109502.2568 298.7671 -59.9668 -21.6744 761128.0208 -3.6150 -3.5681 PRESSURE: 2629400 51.895 -210.244 104.591 -210.244 200.582 -170.393 104.591 -170.393 -94.7729 GPRESSURE: 2629400 128.576 -167.001 -3.43395 -286.208 146.289 -201.498 165.889 -83.7467 -36.6905 PRESSAVG: 2629400 -29.7935 -115.361 35.8379 -115.361 63.6895 -61.657 35.8379 -61.6569 -12.5701 GPRESSAVG: 2629400 -30.0603 -115.133 35.1419 -117.333 63.8086 -63.3901 35.4702 -59.4966 -12.7203 TIMING: 2629400 CPU: 8381.7, 0.0031265/step Wall: 8381.7, 0.0031265/step, 2.0588 hours remaining, 240.039062 MB of memory in use. ENERGY: 2629400 3945.4317 20322.5363 14443.7291 234.5249 -203106.5264 2519.5930 0.0000 0.0000 51942.8747 -109697.8367 298.5164 -161640.7114 -109324.9132 298.6115 52.5681 79.3915 759511.2772 7.1086 7.0094 PRESSURE: 2629600 -42.0363 -156.987 -105.691 -156.986 108.892 -70.7406 -105.691 -70.741 -128.8 GPRESSURE: 2629600 -41.4015 -100.692 -124.641 -119.207 83.2589 -12.3461 -23.4619 -57.0116 -20.8683 PRESSAVG: 2629600 -11.0773 -51.2627 52.1569 -51.2627 0.951022 19.0275 52.1569 19.0275 6.6237 GPRESSAVG: 2629600 -12.5909 -51.6337 52.6636 -48.8366 1.9015 18.8853 50.8963 16.5657 6.60711 TIMING: 2629600 CPU: 8382.32, 0.00311146/step Wall: 8382.32, 0.00311146/step, 2.04872 hours remaining, 240.039062 MB of memory in use. ENERGY: 2629600 3998.6700 20478.4629 14485.6003 253.3530 -203094.3340 2432.2501 0.0000 0.0000 51751.9194 -109694.0782 297.4190 -161445.9976 -109325.9099 298.9899 -20.6481 6.9964 761273.2356 -1.1675 -1.3608 PRESSURE: 2629800 232.459 3.45299 142.28 3.4526 -365.673 85.1067 142.28 85.1052 -614.677 GPRESSURE: 2629800 241.063 62.818 302.401 -7.44585 -357.65 103.152 111.507 70.1796 -558.573 PRESSAVG: 2629800 -17.3932 -56.0616 -9.22699 -56.0616 23.6435 32.0802 -9.22692 32.0802 -1.09132 GPRESSAVG: 2629800 -16.5469 -55.7733 -10.0547 -57.0638 23.0917 34.0218 -7.66552 32.6032 -1.37644 TIMING: 2629800 CPU: 8382.94, 0.00312916/step Wall: 8382.94, 0.00312916/step, 2.0602 hours remaining, 240.039062 MB of memory in use. ENERGY: 2629800 3962.0105 20571.2100 14391.2460 270.0796 -203125.0011 2455.9056 0.0000 0.0000 51754.7754 -109719.7739 297.4354 -161474.5493 -109362.2850 298.7949 -249.2969 -225.0529 762317.9729 1.7197 1.7228 PRESSURE: 2630000 49.293 -19.235 8.01294 -19.2351 -167.726 111.456 8.01325 111.455 -147.487 GPRESSURE: 2630000 15.68 24.4024 -81.7636 59.4318 -165.158 174.469 101.186 117.624 -53.5099 PRESSAVG: 2630000 -3.44396 -27.7515 5.14397 -27.7515 -2.36764 44.9463 5.14401 44.9462 4.3787 GPRESSAVG: 2630000 -3.90215 -28.5065 7.10162 -26.2217 -2.6026 43.9471 2.98844 44.0329 4.84624 TIMING: 2630000 CPU: 8383.57, 0.00314129/step Wall: 8383.57, 0.00314129/step, 2.06802 hours remaining, 240.039062 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: 2630000 4019.5061 20687.4481 14492.7389 273.1297 -203678.0088 2663.6454 0.0000 0.0000 51982.3190 -109559.2216 298.7431 -161541.5406 -109198.8962 299.0095 -88.6400 -67.6625 761202.3543 -0.4776 -0.5528 PRESSURE: 2630200 -119.628 -176.052 -150.219 -176.052 -250.023 144.552 -150.219 144.551 -187.445 GPRESSURE: 2630200 -107.828 -165.307 -95.9303 -212.995 -217.135 227.826 -54.322 43.664 -155.102 PRESSAVG: 2630200 27.0557 -35.9728 -24.8421 -35.9728 -23.0244 109.3 -24.8421 109.3 8.86851 GPRESSAVG: 2630200 27.3909 -35.7033 -23.9769 -36.2595 -23.3604 106.184 -23.6637 111.948 8.71737 TIMING: 2630200 CPU: 8384.2, 0.00313208/step Wall: 8384.2, 0.00313208/step, 2.06178 hours remaining, 240.039062 MB of memory in use. ENERGY: 2630200 3983.4825 20550.5676 14472.3246 239.6998 -203173.2521 2416.8539 0.0000 0.0000 52024.4982 -109485.8256 298.9855 -161510.3238 -109130.2059 299.4440 -185.6984 -160.0217 760465.7828 4.3000 4.2493 PRESSURE: 2630400 234.597 -315.669 -5.37071 -315.669 377.573 138.861 -5.37075 138.861 212.201 GPRESSURE: 2630400 310.763 -310.038 5.1818 -272.323 415.768 143.375 -211.4 29.2218 202.198 PRESSAVG: 2630400 54.041 -30.8487 21.6682 -30.8488 -23.3961 27.3839 21.6682 27.3839 14.4951 GPRESSAVG: 2630400 54.641 -30.5394 21.6648 -32.4043 -23.7511 28.8901 20.7115 25.3888 14.2302 TIMING: 2630400 CPU: 8384.82, 0.00312314/step Wall: 8384.82, 0.00312314/step, 2.05572 hours remaining, 240.039062 MB of memory in use. ENERGY: 2630400 4021.5841 20432.6626 14475.5396 258.0524 -204077.5530 3177.4497 0.0000 0.0000 52010.5093 -109701.7554 298.9051 -161712.2647 -109357.1138 299.2489 274.7905 309.5762 762068.9453 15.0467 15.0400 PRESSURE: 2630600 476.683 -201.987 121.821 -201.988 52.4973 128.157 121.822 128.156 -138.952 GPRESSURE: 2630600 456.43 -169.076 -38.5352 -193.581 116.863 162.949 119.292 26.8846 -118.028 PRESSAVG: 2630600 -21.2992 -50.996 34.7093 -50.9961 38.2658 -57.8202 34.7093 -57.8201 -5.62545 GPRESSAVG: 2630600 -21.5125 -50.5566 32.1498 -50.6857 38.1462 -56.5745 33.9119 -57.7814 -5.81463 TIMING: 2630600 CPU: 8385.45, 0.00312029/step Wall: 8385.45, 0.00312029/step, 2.05367 hours remaining, 240.039062 MB of memory in use. ENERGY: 2630600 3907.5693 20617.5293 14411.5025 246.9701 -203786.9214 2845.2753 0.0000 0.0000 52039.6839 -109718.3909 299.0728 -161758.0748 -109356.5439 298.7699 130.0760 151.7549 762086.1819 3.7804 3.6064 PRESSURE: 2630800 1.19923 22.5656 20.3229 22.5648 -57.5294 28.0426 20.3222 28.0426 -345.922 GPRESSURE: 2630800 100.855 -55.1602 -74.0376 5.05722 -80.7577 2.07474 -93.9218 96.8574 -328.437 PRESSAVG: 2630800 32.6289 -25.0961 9.62267 -25.0962 -25.791 33.5933 9.62267 33.5933 26.4276 GPRESSAVG: 2630800 31.3663 -26.4318 9.61774 -24.7724 -25.6445 31.821 11.4029 34.8948 26.812 TIMING: 2630800 CPU: 8386.07, 0.00311944/step Wall: 8386.07, 0.00311944/step, 2.05294 hours remaining, 240.039062 MB of memory in use. ENERGY: 2630800 4040.8084 20420.5757 14440.6306 245.8821 -203677.4004 2750.1746 0.0000 0.0000 52097.6704 -109681.6587 299.4060 -161779.3291 -109320.4127 298.7703 -134.0839 -102.7796 760078.5681 11.0885 10.8446 PRESSURE: 2631000 -58.0066 53.5378 98.6672 53.538 -179.861 174.477 98.6676 174.478 -235.066 GPRESSURE: 2631000 -34.1874 127.635 29.9428 -17.5142 -161.931 138.869 129.651 144.372 -188.153 PRESSAVG: 2631000 3.8364 -11.083 52.9276 -11.083 -25.511 9.20902 52.9276 9.20905 24.4891 GPRESSAVG: 2631000 4.9014 -10.9822 52.5554 -12.2038 -25.6359 9.82591 52.8834 7.00388 23.8442 TIMING: 2631000 CPU: 8386.69, 0.00311263/step Wall: 8386.69, 0.00311263/step, 2.04828 hours remaining, 240.039062 MB of memory in use. ENERGY: 2631000 4053.9748 20445.3024 14424.9140 248.0186 -203172.0319 2440.1408 0.0000 0.0000 51899.8234 -109659.8580 298.2690 -161559.6814 -109294.2254 298.9984 -157.6445 -128.0904 761185.3126 0.9382 1.0366 PRESSURE: 2631200 325.408 23.3442 69.3506 23.3446 261.384 -18.289 69.3499 -18.2904 93.4212 GPRESSURE: 2631200 298.447 64.2746 44.0019 37.8067 358.325 -29.7872 61.7669 155.639 104.303 PRESSAVG: 2631200 -14.7166 3.48598 23.3542 3.48599 12.5499 -45.7168 23.3542 -45.7168 -1.25651 GPRESSAVG: 2631200 -16.0786 3.95779 24.8885 5.58691 12.7256 -46.1297 22.6922 -45.4556 -0.777346 TIMING: 2631200 CPU: 8387.32, 0.00311817/step Wall: 8387.32, 0.00311817/step, 2.05176 hours remaining, 240.039062 MB of memory in use. ENERGY: 2631200 4014.2393 20534.9633 14513.5953 228.6942 -203845.4190 2827.4302 0.0000 0.0000 52016.0212 -109710.4756 298.9368 -161726.4967 -109338.4641 299.2588 226.7379 253.6917 759217.8605 -1.1411 -1.3768 PRESSURE: 2631400 -186.873 95.7519 -109.762 95.752 -208.571 -100.017 -109.762 -100.016 52.7776 GPRESSURE: 2631400 -152.938 86.649 -75.7756 -3.06608 -169.148 -98.8054 -195.155 -192.818 77.1041 PRESSAVG: 2631400 -35.7887 -48.4631 57.6428 -48.4631 55.9257 -42.5935 57.6429 -42.5935 13.3973 GPRESSAVG: 2631400 -35.6157 -48.6532 57.2789 -50.5225 56.3324 -42.4624 57.3132 -42.4189 13.0559 TIMING: 2631400 CPU: 8387.94, 0.00311039/step Wall: 8387.94, 0.00311039/step, 2.04647 hours remaining, 240.039062 MB of memory in use. ENERGY: 2631400 4017.9810 20621.9200 14501.1522 253.1712 -203389.7362 2145.7350 0.0000 0.0000 52072.2963 -109777.4806 299.2602 -161849.7768 -109417.6138 299.0850 -114.2224 -81.6605 758936.5473 11.1781 11.2575 PRESSURE: 2631600 290.348 -2.24079 132.578 -2.2417 349.193 202.435 132.578 202.436 374.635 GPRESSURE: 2631600 297.795 17.4692 228.96 -28.3515 470.194 233.088 41.4589 215.482 308.481 PRESSAVG: 2631600 -6.72158 8.46828 8.22138 8.46828 -20.4725 -28.3041 8.22132 -28.3041 3.25841 GPRESSAVG: 2631600 -5.46828 9.17161 8.44377 10.7179 -21.7154 -29.1733 7.81106 -27.6674 2.76271 TIMING: 2631600 CPU: 8388.56, 0.00311916/step Wall: 8388.56, 0.00311916/step, 2.05206 hours remaining, 240.039062 MB of memory in use. ENERGY: 2631600 3982.7378 20460.3166 14552.8969 251.1493 -203897.5105 2952.0055 0.0000 0.0000 51911.4601 -109786.9443 298.3359 -161698.4044 -109428.1686 298.6430 338.0585 358.8236 759168.5271 -7.9786 -8.1403 PRESSURE: 2631800 -88.3919 -40.8881 -78.7514 -40.8876 -41.292 232.551 -78.7514 232.551 -463.812 GPRESSURE: 2631800 -113.146 -78.6336 -130.769 58.6494 -16.8998 208.35 -95.7979 129.993 -366.091 PRESSAVG: 2631800 -21.9282 9.59769 29.5263 9.59767 -0.247378 3.33878 29.5263 3.33879 5.45016 GPRESSAVG: 2631800 -22.7521 7.68237 29.3608 7.96166 -0.19098 5.08908 30.2509 1.63748 6.33644 TIMING: 2631800 CPU: 8389.18, 0.00310172/step Wall: 8389.18, 0.00310172/step, 2.04042 hours remaining, 240.039062 MB of memory in use. ENERGY: 2631800 3979.6756 20470.5662 14558.0224 248.2100 -203376.6713 2392.6206 0.0000 0.0000 51959.2076 -109768.3689 298.6103 -161727.5765 -109413.1209 299.0047 -197.8320 -165.3788 760950.3754 -5.5751 -5.5356 PRESSURE: 2632000 -91.3768 175.704 33.296 175.704 -65.6847 0.570349 33.296 0.570289 -269.427 GPRESSURE: 2632000 -19.2258 43.9165 66.8514 124.116 -15.7519 -44.5537 -19.3791 103.566 -279.085 PRESSAVG: 2632000 -49.3103 13.3604 61.7009 13.3604 56.5153 19.2156 61.7009 19.2156 -5.05348 GPRESSAVG: 2632000 -50.2701 13.4713 63.1545 15.2399 57.6362 19.3782 59.0275 20.0378 -3.91203 TIMING: 2632000 CPU: 8389.81, 0.00311955/step Wall: 8389.81, 0.00311955/step, 2.05197 hours remaining, 240.039062 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: 2632000 3982.0009 20363.9030 14517.8539 241.0164 -203544.0158 2603.2164 0.0000 0.0000 52028.0749 -109807.9503 299.0061 -161836.0252 -109440.7159 298.6037 -142.1630 -104.6874 759841.3862 0.7172 1.1513 PRESSURE: 2632200 35.9434 1.00601 -48.8038 1.00716 -142.017 -36.6901 -48.8035 -36.6905 -223.309 GPRESSURE: 2632200 -10.6007 28.6024 -133.997 -23.5872 -122.876 68.0448 19.7709 7.02666 -110.156 PRESSAVG: 2632200 -74.8631 34.7774 44.5136 34.7773 91.665 24.7948 44.5136 24.7948 2.38676 GPRESSAVG: 2632200 -74.1615 33.7597 42.0386 32.0099 90.8411 23.9503 47.4009 25.4429 2.40684 TIMING: 2632200 CPU: 8390.43, 0.00312588/step Wall: 8390.43, 0.00312588/step, 2.05596 hours remaining, 240.039062 MB of memory in use. ENERGY: 2632200 4020.6895 20450.5379 14442.3367 218.8190 -203115.2697 2445.1125 0.0000 0.0000 52006.9825 -109530.7915 298.8848 -161537.7741 -109168.7981 298.9350 -109.7943 -81.2109 761877.3636 6.3962 6.3622 LDB: ============= START OF LOAD BALANCING ============== 8402.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8402.88 LDB: =============== DONE WITH MIGRATION ================ 8402.88 LDB: ============= START OF LOAD BALANCING ============== 8403.19 LDB: Largest compute 7038 load 0.033804 is 17.3% of average load 0.195369 LDB: Average compute 0.004394 is 2.2% of average load 0.195369 LDB: TIME 8403.2 LOAD: AVG 0.195369 MAX 0.217958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8403.2 LOAD: AVG 0.195369 MAX 0.217958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: TIME 8403.2 LOAD: AVG 0.195369 MAX 0.217958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: ============== END OF LOAD BALANCING =============== 8403.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8403.21 PRESSURE: 2632400 -282.461 -32.0875 24.6496 -32.0871 111.251 116.087 24.6499 116.087 179.001 GPRESSURE: 2632400 -179.475 -185.587 -38.7814 0.143356 144.129 106.397 106.841 55.6558 138.408 PRESSAVG: 2632400 -65.48 -28.9755 41.1711 -28.9754 58.299 -14.6685 41.1711 -14.6686 23.4501 GPRESSAVG: 2632400 -64.1083 -29.0603 39.8448 -25.3153 58.0195 -15.8546 43.8586 -16.6014 22.8159 TIMING: 2632400 CPU: 8391.07, 0.00318482/step Wall: 8391.07, 0.00318483/step, 2.09455 hours remaining, 240.550781 MB of memory in use. ENERGY: 2632400 3996.0967 20511.0972 14463.9345 246.5388 -203889.1011 2947.3866 0.0000 0.0000 52277.6093 -109446.4380 300.4401 -161724.0473 -109077.7873 299.2740 2.5971 34.3538 759582.0581 5.4231 5.5757 PRESSURE: 2632600 -410.115 -81.7064 -360.044 -81.7062 -474.406 -64.8926 -360.044 -64.8934 45.7247 GPRESSURE: 2632600 -302.254 -94.8444 -253.095 -146.648 -461.038 -110.48 -297.419 65.915 24.893 PRESSAVG: 2632600 -1.27923 30.4822 -9.36643 30.4823 46.671 -0.605087 -9.36635 -0.605141 -19.0681 GPRESSAVG: 2632600 -2.63067 31.0136 -7.57635 27.9317 47.5292 -0.576187 -11.3611 0.927722 -18.1978 TIMING: 2632600 CPU: 8391.69, 0.00310897/step Wall: 8391.69, 0.00310897/step, 2.04449 hours remaining, 240.753906 MB of memory in use. ENERGY: 2632600 4052.5982 20618.8052 14599.5124 254.3603 -202979.0598 2188.0609 0.0000 0.0000 52045.4408 -109220.2820 299.1059 -161265.7228 -108853.1400 299.3058 -279.5988 -246.1328 762025.5118 8.7746 8.9002 PRESSURE: 2632800 -117.627 -153.555 129.825 -153.554 -38.5937 54.7704 129.824 54.7702 295.333 GPRESSURE: 2632800 -117.763 -142.171 106.651 -72.0492 22.803 9.28566 -3.26058 127.269 336.418 PRESSAVG: 2632800 -41.2004 -26.6917 31.8173 -26.6917 -5.66833 -36.6821 31.8173 -36.682 7.44179 GPRESSAVG: 2632800 -40.2691 -24.1254 31.3195 -23.8452 -5.5671 -34.6018 29.9235 -38.1792 5.9282 TIMING: 2632800 CPU: 8392.31, 0.00310741/step Wall: 8392.31, 0.00310741/step, 2.04329 hours remaining, 240.753906 MB of memory in use. ENERGY: 2632800 3974.8020 20476.6913 14485.7528 241.4780 -203143.9724 2485.9190 0.0000 0.0000 52162.4541 -109316.8752 299.7783 -161479.3293 -108952.1892 299.1687 46.3706 80.4861 760216.8797 -13.1423 -13.3027 PRESSURE: 2633000 199.729 -49.8858 -149.765 -49.886 -64.1189 170.165 -149.765 170.165 -51.2888 GPRESSURE: 2633000 194.785 -94.3501 -117.442 -150.252 -16.8612 116.908 -97.8049 193.707 -19.8615 PRESSAVG: 2633000 -64.5971 -1.73007 59.0635 -1.7301 46.7933 17.8707 59.0635 17.8707 9.72618 GPRESSAVG: 2633000 -65.2219 -2.53278 59.8494 -5.47791 46.0774 18.29 62.4903 18.6762 10.4158 TIMING: 2633000 CPU: 8392.94, 0.00312832/step Wall: 8392.94, 0.00312832/step, 2.05687 hours remaining, 240.753906 MB of memory in use. ENERGY: 2633000 4053.7032 20567.9377 14460.9012 243.6598 -203404.4089 2417.7851 0.0000 0.0000 52380.7107 -109279.7113 301.0327 -161660.4220 -108916.0334 299.5486 28.1071 52.6874 760553.6903 -2.6925 -2.9095 PRESSURE: 2633200 -23.8219 0.808606 -38.0319 0.80815 332.601 -141.704 -38.0322 -141.706 41.479 GPRESSURE: 2633200 83.2232 -61.7295 -22.4272 -16.6879 338.139 -168.462 -0.273087 -111.675 13.8445 PRESSAVG: 2633200 35.6093 -41.717 19.5431 -41.7171 -21.7033 18.0687 19.5431 18.0688 20.6446 GPRESSAVG: 2633200 35.1714 -44.6479 18.7873 -40.6647 -21.3055 15.9751 19.5338 19.0379 20.7478 TIMING: 2633200 CPU: 8393.56, 0.00311396/step Wall: 8393.56, 0.00311396/step, 2.04726 hours remaining, 240.753906 MB of memory in use. ENERGY: 2633200 3986.8702 20821.9058 14496.6313 238.3234 -203875.0140 2991.9131 0.0000 0.0000 52096.4421 -109242.9281 299.3990 -161339.3701 -108882.3208 300.0728 116.7528 145.0690 760739.1738 11.5169 11.5379 PRESSURE: 2633400 -180.286 -236.337 179.051 -236.338 -4.05781 -191.449 179.051 -191.45 246.492 GPRESSURE: 2633400 -126.981 -235.342 99.4917 -50.295 6.88501 -146.298 55.4747 -193.506 279.646 PRESSAVG: 2633400 -20.6997 -30.9696 24.9068 -30.9696 -6.97299 7.50903 24.9068 7.50903 -27.4126 GPRESSAVG: 2633400 -18.9928 -29.1639 25.0916 -29.3796 -6.88019 8.94454 24.0067 8.16252 -28.314 TIMING: 2633400 CPU: 8394.19, 0.00311959/step Wall: 8394.19, 0.00311959/step, 2.05078 hours remaining, 240.753906 MB of memory in use. ENERGY: 2633400 3887.5800 20597.0924 14505.8893 236.8336 -203321.3539 2292.2658 0.0000 0.0000 52381.6196 -109420.0731 301.0379 -161801.6927 -109048.7459 299.9290 20.7158 53.1833 761352.6266 -18.3618 -18.0623 PRESSURE: 2633600 -69.6721 -148.786 -23.5771 -148.786 -41.0729 -19.2637 -23.577 -19.2646 -79.6706 GPRESSURE: 2633600 -43.8296 1.21813 20.7497 -201.597 48.4985 -42.8428 83.5406 -31.8573 -106.921 PRESSAVG: 2633600 -20.7357 -20.4957 30.6295 -20.4956 42.5588 -22.7655 30.6295 -22.7656 -10.631 GPRESSAVG: 2633600 -22.1769 -20.8558 31.0576 -20.5424 42.8823 -23.3128 31.2826 -23.3834 -9.07554 TIMING: 2633600 CPU: 8394.81, 0.0031224/step Wall: 8394.81, 0.0031224/step, 2.05246 hours remaining, 240.753906 MB of memory in use. ENERGY: 2633600 3943.6550 20408.1192 14528.5626 242.4595 -203330.3219 2542.2120 0.0000 0.0000 52195.8268 -109469.4866 299.9701 -161665.3135 -109087.7644 299.8961 -63.4718 -34.0842 762288.2489 3.7307 3.8766 PRESSURE: 2633800 -103.461 -59.3559 -59.9457 -59.3553 -45.3275 -154.057 -59.9457 -154.057 104.568 GPRESSURE: 2633800 -105.971 -62.4185 -124.872 -101.808 48.2237 -143.343 26.0832 -156.424 90.205 PRESSAVG: 2633800 -36.2132 -73.7294 24.7312 -73.7295 33.237 -8.39382 24.7311 -8.39383 2.37412 GPRESSAVG: 2633800 -37.1353 -71.7706 24.8004 -74.4462 35.2109 -9.42343 24.3864 -8.02409 1.21013 TIMING: 2633800 CPU: 8395.43, 0.0031178/step Wall: 8395.43, 0.0031178/step, 2.04926 hours remaining, 240.753906 MB of memory in use. ENERGY: 2633800 4051.2004 20467.2015 14546.6962 261.8176 -202925.0039 2392.4510 0.0000 0.0000 51937.2655 -109268.3716 298.4842 -161205.6372 -108913.0585 299.5034 -14.7400 10.8191 762513.9522 -0.2007 -0.2381 PRESSURE: 2634000 173.225 -52.7142 -45.9782 -52.7151 400.478 -118.901 -45.9778 -118.9 162.999 GPRESSURE: 2634000 209.639 -10.4425 -140.614 -95.1175 444.582 -101.112 16.3736 -160.201 170.078 PRESSAVG: 2634000 -46.6217 -4.28308 -59.7774 -4.28301 46.9937 -31.9863 -59.7775 -31.9864 6.86002 GPRESSAVG: 2634000 -44.9686 -3.64715 -60.7448 -6.41812 44.1592 -30.1947 -60.3403 -33.7392 8.00077 TIMING: 2634000 CPU: 8396.06, 0.00311342/step Wall: 8396.06, 0.00311342/step, 2.04621 hours remaining, 240.753906 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: 2634000 3955.7369 20391.8274 14441.4539 260.2163 -203264.5303 2822.3221 0.0000 0.0000 52027.4592 -109365.5144 299.0025 -161392.9737 -108995.7193 299.6053 245.5674 274.7659 760945.2769 2.4107 2.3971 PRESSURE: 2634200 96.9857 -27.0572 142.573 -27.0575 65.9715 -73.503 142.573 -73.5028 7.55424 GPRESSURE: 2634200 103.884 -75.2701 163.322 -113.016 100.143 -90.2643 63.0992 -7.92189 74.6407 PRESSAVG: 2634200 -35.6432 -34.8555 -22.4302 -34.8554 45.9332 -10.3747 -22.4302 -10.3747 0.400234 GPRESSAVG: 2634200 -34.6163 -37.481 -20.9674 -32.2345 46.5687 -12.1077 -22.9805 -9.95602 -0.856965 TIMING: 2634200 CPU: 8396.68, 0.00312807/step Wall: 8396.68, 0.00312807/step, 2.05566 hours remaining, 240.753906 MB of memory in use. ENERGY: 2634200 3965.2600 20544.1935 14531.2670 235.6448 -203334.5088 2592.1754 0.0000 0.0000 52087.8346 -109378.1336 299.3495 -161465.9682 -109010.6191 299.0499 56.8372 92.8893 761414.0770 3.5634 3.6985 PRESSURE: 2634400 99.6368 85.9896 144.781 85.9894 -44.1793 205.17 144.781 205.17 198.608 GPRESSURE: 2634400 140.126 85.4618 179.34 85.6451 -6.06301 261.917 138.972 197.224 193.421 PRESSAVG: 2634400 -29.003 -23.0273 -12.6417 -23.0273 32.103 7.66855 -12.6417 7.66858 -18.7193 GPRESSAVG: 2634400 -29.9819 -24.5098 -10.748 -23.4079 31.4851 8.27851 -13.9222 9.48705 -17.2004 TIMING: 2634400 CPU: 8397.31, 0.00312015/step Wall: 8397.31, 0.00312015/step, 2.05029 hours remaining, 240.753906 MB of memory in use. ENERGY: 2634400 3927.6771 20607.2432 14487.6554 229.5908 -203150.9906 2472.5891 0.0000 0.0000 52191.2962 -109234.9388 299.9441 -161426.2350 -108873.3328 298.9723 84.6884 109.1611 761091.4174 -5.2064 -5.2324 PRESSURE: 2634600 269.091 -37.8687 -119.296 -37.8686 112.147 -167.151 -119.297 -167.151 -117.37 GPRESSURE: 2634600 225.603 -27.4284 -153.847 -41.5528 114.509 -100.339 -163.099 -203.225 1.94673 PRESSAVG: 2634600 -41.7351 -14.1391 4.37684 -14.1391 43.4772 -59.2034 4.37685 -59.2034 14.9975 GPRESSAVG: 2634600 -40.5528 -11.0658 3.07875 -13.6326 42.5767 -57.6478 7.26149 -59.7919 15.1627 TIMING: 2634600 CPU: 8397.93, 0.00312447/step Wall: 8397.93, 0.00312447/step, 2.05295 hours remaining, 240.753906 MB of memory in use. ENERGY: 2634600 4037.4200 20511.1555 14622.4285 245.4327 -203575.8446 2785.5345 0.0000 0.0000 52154.1873 -109219.6860 299.7308 -161373.8733 -108869.4084 299.5450 87.9562 114.0196 761278.4128 5.5799 5.7289 PRESSURE: 2634800 -159.414 64.5891 110.103 64.5895 -115.125 67.6432 110.103 67.6436 38.2885 GPRESSURE: 2634800 -111.268 48.6153 116.339 43.4486 -95.394 46.3203 77.6282 120.412 82.4097 PRESSAVG: 2634800 -43.8075 -8.85102 48.3331 -8.85107 2.04705 -20.0515 48.3331 -20.0515 -8.28471 GPRESSAVG: 2634800 -44.7154 -9.27594 49.5144 -10.9114 3.33453 -19.4432 46.5641 -21.0884 -8.17738 TIMING: 2634800 CPU: 8398.56, 0.00313215/step Wall: 8398.56, 0.00313215/step, 2.05783 hours remaining, 240.753906 MB of memory in use. ENERGY: 2634800 3964.0832 20490.9742 14519.1603 243.0875 -202710.5532 2184.8747 0.0000 0.0000 52409.2352 -108899.1380 301.1966 -161308.3732 -108535.5081 300.2333 -78.7500 -41.4173 762535.4887 -16.6817 -16.5194 PRESSURE: 2635000 -267.019 32.1687 -23.7876 32.1685 42.4843 2.42149 -23.7869 2.42093 -56.4722 GPRESSURE: 2635000 -199.264 -20.3583 20.1707 26.7679 72.6351 -55.673 -21.6647 -66.1295 -72.7284 PRESSAVG: 2635000 38.3967 -39.2955 9.21076 -39.2955 -14.6832 3.04127 9.21077 3.0412 18.31 GPRESSAVG: 2635000 38.8324 -39.9846 6.75784 -37.9793 -14.5553 2.07049 11.0905 1.03782 17.2964 TIMING: 2635000 CPU: 8399.18, 0.00313227/step Wall: 8399.18, 0.00313227/step, 2.05772 hours remaining, 240.753906 MB of memory in use. ENERGY: 2635000 3980.6708 20629.0642 14512.5223 240.7792 -203210.5121 2576.8909 0.0000 0.0000 52297.6595 -108972.9252 300.5554 -161270.5847 -108606.2761 300.7096 -93.6690 -66.4524 761604.2704 14.0078 13.8578 PRESSURE: 2635200 -161.453 -130.346 43.5398 -130.347 -50.2921 -162.195 43.5399 -162.194 216.103 GPRESSURE: 2635200 -68.2737 -183.486 105.762 -196.731 -105.945 -190.575 116.597 -36.3298 247.96 PRESSAVG: 2635200 30.1849 -23.7397 -26.2655 -23.7397 -37.4474 -27.9901 -26.2654 -27.9902 -1.75162 GPRESSAVG: 2635200 30.4298 -25.8732 -23.8149 -22.3625 -38.1905 -27.4686 -28.0273 -26.929 -1.35785 TIMING: 2635200 CPU: 8399.81, 0.00312224/step Wall: 8399.81, 0.00312224/step, 2.05096 hours remaining, 240.753906 MB of memory in use. ENERGY: 2635200 3930.0875 20360.5239 14428.9076 232.1626 -202971.9682 2380.0078 0.0000 0.0000 52297.4499 -109342.8289 300.5542 -161640.2787 -108970.1369 299.5204 1.4528 24.5803 762085.1591 -3.0047 -3.0395 PRESSURE: 2635400 -104.146 173.387 -22.1179 173.387 3.03536 9.64082 -22.1174 9.63935 -135.334 GPRESSURE: 2635400 -138.562 99.6497 41.0427 219.053 73.0401 -31.6242 -31.868 96.3167 -80.3381 PRESSAVG: 2635400 14.6072 -24.2039 22.5254 -24.2038 25.7802 -27.7528 22.5254 -27.7528 19.6904 GPRESSAVG: 2635400 14.1089 -21.9904 22.5682 -26.9582 26.2095 -28.7323 22.1567 -25.211 19.9758 TIMING: 2635400 CPU: 8400.43, 0.00313027/step Wall: 8400.43, 0.00313027/step, 2.05607 hours remaining, 240.753906 MB of memory in use. ENERGY: 2635400 3978.3470 20530.5939 14443.5495 243.8288 -203138.4970 2406.5089 0.0000 0.0000 52102.1154 -109433.5534 299.4316 -161535.6688 -109073.5505 299.2761 -78.8148 -48.6198 761085.0698 20.0260 20.0981 PRESSURE: 2635600 -460.388 16.3368 -128.153 16.3355 -286.842 230.282 -128.153 230.282 -256.672 GPRESSURE: 2635600 -446.506 65.6629 -85.8466 134.953 -203.837 218.408 -133.301 193.751 -274.627 PRESSAVG: 2635600 -14.8055 -27.435 -2.02649 -27.435 6.54449 -69.1263 -2.02654 -69.1264 -4.39551 GPRESSAVG: 2635600 -14.725 -27.8108 -4.34327 -26.5927 6.13316 -67.4559 1.08691 -71.5029 -3.94198 TIMING: 2635600 CPU: 8401.06, 0.00311394/step Wall: 8401.06, 0.00311394/step, 2.04516 hours remaining, 240.753906 MB of memory in use. ENERGY: 2635600 4040.4323 20434.7627 14487.1557 237.4198 -203094.9139 2234.0975 0.0000 0.0000 51984.7887 -109676.2573 298.7573 -161661.0460 -109310.6992 299.1594 -334.6344 -308.3235 761412.8068 -4.2189 -4.1779 PRESSURE: 2635800 12.8478 -89.3363 6.61671 -89.3366 -243.471 -188.686 6.61726 -188.687 -142.372 GPRESSURE: 2635800 -0.122294 -92.772 -51.1401 -118.933 -221.087 -264.764 -61.2494 -136.82 -57.224 PRESSAVG: 2635800 36.461 8.87068 -31.7336 8.87064 -76.6574 -71.1941 -31.7336 -71.1941 29.4102 GPRESSAVG: 2635800 35.7 8.75017 -30.2828 8.97118 -76.4341 -72.053 -34.2066 -70.3785 29.7686 TIMING: 2635800 CPU: 8401.68, 0.00311584/step Wall: 8401.68, 0.00311584/step, 2.04624 hours remaining, 240.753906 MB of memory in use. ENERGY: 2635800 3943.2710 20493.0831 14452.8663 269.9836 -203320.6617 2662.7002 0.0000 0.0000 51792.8350 -109705.9226 297.6541 -161498.7575 -109340.4097 298.8321 -124.3319 -92.8110 761404.4342 -3.5954 -3.6552 PRESSURE: 2636000 110.701 28.1818 -60.503 28.1822 131.788 -270.822 -60.5037 -270.822 110.841 GPRESSURE: 2636000 96.8628 0.657561 -128.529 -53.5807 175.269 -289.965 -36.4921 -75.9964 176.471 PRESSAVG: 2636000 -8.8207 4.8805 -3.38862 4.88049 3.64812 -0.331822 -3.38869 -0.331808 21.0363 GPRESSAVG: 2636000 -8.22391 5.44413 -2.84083 2.76772 3.19735 -1.21141 -4.8149 0.539588 20.7545 TIMING: 2636000 CPU: 8402.3, 0.00312237/step Wall: 8402.3, 0.00312237/step, 2.05036 hours remaining, 240.753906 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: 2636000 3984.5118 20462.8380 14436.6788 238.5459 -203430.3600 2772.0851 0.0000 0.0000 51941.0021 -109594.6982 298.5057 -161535.7003 -109233.9083 298.5895 117.7767 149.5342 761782.3961 5.2879 5.2426 PRESSURE: 2636200 -218.526 -94.0582 -26.7511 -94.058 -509.398 52.0819 -26.7513 52.0814 -320.731 GPRESSURE: 2636200 -198.994 -39.0904 70.3408 -114.32 -498.122 7.39657 -61.5447 120.522 -261.739 PRESSAVG: 2636200 11.4976 -17.3921 -50.8656 -17.3921 -10.4882 3.20948 -50.8656 3.20952 1.90325 GPRESSAVG: 2636200 10.8963 -16.152 -51.7835 -16.576 -9.73298 3.39969 -49.1604 3.58996 1.92175 TIMING: 2636200 CPU: 8402.93, 0.00313509/step Wall: 8402.93, 0.00313509/step, 2.05854 hours remaining, 240.753906 MB of memory in use. ENERGY: 2636200 3963.1458 20555.7591 14516.9970 260.1927 -202886.4443 2216.5250 0.0000 0.0000 52058.3881 -109315.4367 299.1803 -161373.8248 -108964.7794 299.2804 -349.5514 -319.6182 763223.1350 0.9709 1.0284 LDB: ============= START OF LOAD BALANCING ============== 8415.38 LDB: ============== END OF LOAD BALANCING =============== 8415.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8415.38 LDB: ============= START OF LOAD BALANCING ============== 8415.7 LDB: Largest compute 7070 load 0.032955 is 16.9% of average load 0.195353 LDB: Average compute 0.004386 is 2.2% of average load 0.195353 LDB: TIME 8415.7 LOAD: AVG 0.195353 MAX 0.216515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.352 MB LDB: TIME 8415.7 LOAD: AVG 0.195353 MAX 0.216515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.352 MB LDB: TIME 8415.7 LOAD: AVG 0.195353 MAX 0.216515 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.352 MB LDB: ============== END OF LOAD BALANCING =============== 8415.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8415.71 PRESSURE: 2636400 42.1183 80.5909 66.3998 80.5911 289.977 -152.965 66.3994 -152.965 172.028 GPRESSURE: 2636400 64.2006 88.8776 96.7129 -68.1479 357.732 -82.8496 -22.6121 -205.396 168.104 PRESSAVG: 2636400 28.8029 19.6022 22.055 19.6023 -23.0039 -57.7075 22.055 -57.7076 11.8556 GPRESSAVG: 2636400 30.0398 18.4524 20.4376 19.2017 -22.4693 -57.2829 21.1633 -59.2461 10.2478 TIMING: 2636400 CPU: 8403.57, 0.00320635/step Wall: 8403.57, 0.00320635/step, 2.10515 hours remaining, 241.062500 MB of memory in use. ENERGY: 2636400 3987.1251 20436.2337 14491.0516 235.2323 -203049.6448 2592.3946 0.0000 0.0000 52330.7287 -108976.8788 300.7454 -161307.6075 -108611.9069 299.4254 168.0411 196.6788 761138.7750 5.8849 5.9395 PRESSURE: 2636600 48.7754 -164.264 114.412 -164.265 -98.8068 -94.7208 114.412 -94.7201 -39.0836 GPRESSURE: 2636600 13.8108 -150.77 14.1294 -210.906 -11.2061 -165.795 141.66 52.5905 -13.5569 PRESSAVG: 2636600 12.5316 -40.1437 37.1563 -40.1437 -26.2067 -11.3956 37.1563 -11.3955 23.3157 GPRESSAVG: 2636600 11.3709 -43.2329 39.0743 -37.1911 -25.521 -9.8389 36.5237 -12.6274 24.2388 TIMING: 2636600 CPU: 8404.2, 0.00312667/step Wall: 8404.2, 0.00312667/step, 2.05266 hours remaining, 241.062500 MB of memory in use. ENERGY: 2636600 3989.6087 20350.0108 14509.6346 261.1447 -202744.6083 2420.7978 0.0000 0.0000 52254.3695 -108959.0422 300.3066 -161213.4117 -108607.1507 299.7698 -29.7050 -3.6507 762508.7140 3.2135 3.3629 PRESSURE: 2636800 91.3944 67.8067 129.013 67.8068 3.7855 -117.275 129.014 -117.276 -426.188 GPRESSURE: 2636800 146.855 95.1786 65.6873 -11.7661 45.5119 -202.799 71.8937 35.7482 -435.896 PRESSAVG: 2636800 -75.0966 -26.2384 12.2343 -26.2384 -3.55091 -68.2665 12.2343 -68.2666 -30.5763 GPRESSAVG: 2636800 -74.6227 -25.1276 11.2272 -27.0912 -5.17244 -70.8744 12.2675 -66.2904 -29.594 TIMING: 2636800 CPU: 8404.82, 0.00313276/step Wall: 8404.82, 0.00313276/step, 2.05649 hours remaining, 241.062500 MB of memory in use. ENERGY: 2636800 4004.5695 20500.8086 14552.3202 241.3841 -203082.8774 2743.0711 0.0000 0.0000 52205.4063 -108835.3176 300.0252 -161040.7239 -108477.6758 299.6349 -110.3359 -81.1763 762936.0670 -36.4079 -36.4631 PRESSURE: 2637000 112.439 -81.5884 -116.54 -81.5876 -212.689 -129.756 -116.54 -129.757 151.445 GPRESSURE: 2637000 142.232 -75.4505 -112.051 58.4305 -173.22 -113.644 -156.641 -126.49 168.98 PRESSAVG: 2637000 -42.9394 -1.79811 -52.6864 -1.79813 29.5298 6.87657 -52.6864 6.87655 -9.72592 GPRESSAVG: 2637000 -42.4213 -1.32211 -52.5541 -3.57638 29.9173 10.6232 -52.7987 6.8421 -10.0418 TIMING: 2637000 CPU: 8405.45, 0.00311188/step Wall: 8405.45, 0.00311188/step, 2.04261 hours remaining, 241.062500 MB of memory in use. ENERGY: 2637000 4002.9915 20514.5518 14571.0737 257.0022 -202865.7185 2775.9856 0.0000 0.0000 52050.7813 -108693.3324 299.1366 -160744.1137 -108327.6081 300.1203 17.0651 45.9975 764163.4714 -7.7118 -7.5152 PRESSURE: 2637200 -218.556 -54.3327 -76.0622 -54.3318 -418.693 -68.0424 -76.0625 -68.0442 -70.7198 GPRESSURE: 2637200 -132.995 -56.8518 -147.809 -52.6584 -464.767 -50.1623 -124.748 -139.262 -52.9844 PRESSAVG: 2637200 16.3909 -16.4125 -9.77059 -16.4125 5.5827 -36.0063 -9.77063 -36.0063 3.15245 GPRESSAVG: 2637200 18.6721 -14.745 -9.72613 -15.8465 4.17568 -39.2373 -9.68944 -35.1708 1.95408 TIMING: 2637200 CPU: 8406.07, 0.00312611/step Wall: 8406.07, 0.00312611/step, 2.05177 hours remaining, 241.062500 MB of memory in use. ENERGY: 2637200 4002.9528 20412.6015 14559.1879 231.7581 -202315.9262 2195.1596 0.0000 0.0000 52227.7032 -108686.5630 300.1533 -160914.2663 -108323.8886 300.2434 -235.9897 -216.9153 762944.0026 8.3753 8.2673 PRESSURE: 2637400 111.914 -15.2073 -7.03952 -15.207 33.1104 102.801 -7.03962 102.802 185.866 GPRESSURE: 2637400 163.02 -33.468 1.01242 -28.0136 101.233 47.3517 13.4184 78.3825 146.285 PRESSAVG: 2637400 12.9037 -28.6853 21.3879 -28.6853 -26.726 -52.9242 21.3879 -52.9243 -33.7853 GPRESSAVG: 2637400 11.0529 -31.3804 20.5059 -30.7796 -25.3999 -51.4883 21.5995 -54.2639 -33.8193 TIMING: 2637400 CPU: 8406.7, 0.00313987/step Wall: 8406.7, 0.00313987/step, 2.06063 hours remaining, 241.062500 MB of memory in use. ENERGY: 2637400 3951.1004 20434.8396 14565.8689 237.1877 -202925.5767 2722.9138 0.0000 0.0000 52204.2266 -108809.4397 300.0184 -161013.6664 -108446.4080 300.2576 110.2966 136.8459 762241.2972 -15.8692 -16.0554 PRESSURE: 2637600 -7.1409 151.046 110.618 151.046 311.867 -190.64 110.618 -190.641 23.5839 GPRESSURE: 2637600 68.4086 26.3854 30.5621 202.425 291.245 -240.816 26.0597 -83.8276 47.1211 PRESSAVG: 2637600 -29.9144 -42.6826 29.2529 -42.6826 46.3369 -45.7853 29.2529 -45.7853 2.94932 GPRESSAVG: 2637600 -31.3463 -43.4076 29.8103 -39.6644 47.2156 -45.8724 29.7084 -45.5454 3.81715 TIMING: 2637600 CPU: 8407.33, 0.00314325/step Wall: 8407.33, 0.00314325/step, 2.06267 hours remaining, 241.062500 MB of memory in use. ENERGY: 2637600 3985.3162 20413.6602 14575.5155 260.2895 -202875.2257 2450.7350 0.0000 0.0000 52185.5027 -109004.2067 299.9108 -161189.7094 -108643.2386 300.2740 109.4366 135.5915 760086.4449 6.4573 6.5622 PRESSURE: 2637800 13.2401 -113.373 172.356 -113.373 39.0032 -127.266 172.356 -127.266 -330.542 GPRESSURE: 2637800 141.298 -103.766 137.109 -9.11063 -13.4129 -98.0436 136.054 -41.3691 -336.731 PRESSAVG: 2637800 -36.2581 -89.8923 23.1806 -89.8923 0.532522 -19.8266 23.1806 -19.8266 -9.50976 GPRESSAVG: 2637800 -34.0383 -88.7156 23.4848 -89.6042 -0.970485 -21.4711 22.8289 -17.5001 -9.80444 TIMING: 2637800 CPU: 8407.96, 0.00314791/step Wall: 8407.96, 0.00314791/step, 2.06555 hours remaining, 241.062500 MB of memory in use. ENERGY: 2637800 3999.8970 20520.0609 14602.3261 244.9954 -202974.5719 2387.1379 0.0000 0.0000 52221.4504 -108998.7041 300.1174 -161220.1545 -108642.4585 300.2189 -92.7663 -69.6154 760716.7369 -15.0784 -14.9377 PRESSURE: 2638000 -108.274 -106.652 112.417 -106.651 -186.755 -65.5515 112.417 -65.5505 -120.194 GPRESSURE: 2638000 -94.6736 -51.5241 105.223 -104.661 -157.3 -104.853 23.7741 -93.3182 -98.7886 PRESSAVG: 2638000 -2.84271 -58.6779 55.4667 -58.6779 34.1218 4.48926 55.4668 4.48917 4.25509 GPRESSAVG: 2638000 -1.80027 -57.5588 55.1197 -60.3625 32.9328 6.69452 54.3336 2.43802 3.70116 TIMING: 2638000 CPU: 8408.58, 0.00313233/step Wall: 8408.58, 0.00313233/step, 2.05516 hours remaining, 241.062500 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: 2638000 3989.0708 20524.5015 14482.8338 244.1266 -203502.9381 2753.4584 0.0000 0.0000 52193.2303 -109315.7166 299.9552 -161508.9469 -108953.8185 299.5990 -138.4077 -116.9206 760660.4070 11.8447 11.6112 PRESSURE: 2638200 430.142 -238.869 -451.129 -238.869 93.1794 -192.741 -451.128 -192.74 72.3913 GPRESSURE: 2638200 317.315 -192.22 -378.973 -249.726 257.171 -141.508 -286.802 -192.867 122.548 PRESSAVG: 2638200 -19.6653 -26.6811 17.065 -26.6811 -18.4164 8.22773 17.0651 8.22768 -27.8433 GPRESSAVG: 2638200 -22.0573 -25.3834 17.5839 -27.2632 -17.2425 8.63394 18.9559 8.05643 -26.8632 TIMING: 2638200 CPU: 8409.21, 0.00312998/step Wall: 8409.21, 0.00312998/step, 2.05344 hours remaining, 241.062500 MB of memory in use. ENERGY: 2638200 3879.2393 20423.3604 14539.3608 241.9877 -203732.0816 2666.4238 0.0000 0.0000 52246.4550 -109735.2546 300.2611 -161981.7096 -109376.9333 298.9700 198.5710 232.3444 758804.9400 -21.9750 -22.0543 PRESSURE: 2638400 -296.719 131.814 130.049 131.814 153.94 -224.309 130.049 -224.308 -4.33103 GPRESSURE: 2638400 -151.888 92.393 117.56 114.593 141.057 -125.517 62.8981 -134.954 -15.6094 PRESSAVG: 2638400 9.41342 3.67963 -14.5783 3.67965 -11.9174 -36.1108 -14.5783 -36.1108 32.1911 GPRESSAVG: 2638400 10.4959 0.702801 -15.3507 5.65703 -11.4877 -36.2313 -14.7027 -36.4248 31.2876 TIMING: 2638400 CPU: 8409.83, 0.0031196/step Wall: 8409.83, 0.0031196/step, 2.04646 hours remaining, 241.062500 MB of memory in use. ENERGY: 2638400 4042.8930 20311.0309 14507.9616 257.6512 -203121.3027 2405.7691 0.0000 0.0000 51998.9111 -109597.0858 298.8385 -161595.9969 -109235.9263 298.7456 -49.0368 -8.8137 761559.6569 9.8957 10.0986 PRESSURE: 2638600 -4.6254 -12.8051 55.8045 -12.805 -146.562 256.248 55.8052 256.248 -420.705 GPRESSURE: 2638600 -124.782 -30.2239 73.9758 81.9579 -69.8758 192.215 22.3882 327.803 -317.856 PRESSAVG: 2638600 -22.1955 -28.1734 23.4899 -28.1735 41.1505 52.2045 23.4899 52.2045 -25.7889 GPRESSAVG: 2638600 -21.7823 -27.7215 22.6431 -29.0568 39.9793 53.2034 23.1372 53.3527 -24.8796 TIMING: 2638600 CPU: 8410.46, 0.00311785/step Wall: 8410.46, 0.00311785/step, 2.04514 hours remaining, 241.062500 MB of memory in use. ENERGY: 2638600 4047.5339 20236.5150 14528.2754 238.0029 -202808.6062 2291.7793 0.0000 0.0000 51978.9462 -109487.5535 298.7237 -161466.4997 -109131.5552 298.8048 -190.6306 -170.8380 762048.7892 -2.2780 -2.2275 PRESSURE: 2638800 144.445 29.1785 -74.8878 29.1789 -14.059 -145.935 -74.8879 -145.935 340.498 GPRESSURE: 2638800 99.2673 97.5535 -58.8507 40.4324 150.971 -196.837 -128.666 -103.207 309.556 PRESSAVG: 2638800 -11.398 -46.919 8.33763 -46.9191 -42.8488 36.6296 8.33764 36.6297 20.2284 GPRESSAVG: 2638800 -12.2678 -45.9312 8.08347 -47.9101 -41.9468 35.3414 7.38768 36.321 20.0514 TIMING: 2638800 CPU: 8411.09, 0.00313293/step Wall: 8411.09, 0.00313293/step, 2.05486 hours remaining, 241.062500 MB of memory in use. ENERGY: 2638800 3985.1921 20351.8262 14500.3777 241.5672 -203799.5541 3038.9919 0.0000 0.0000 52125.0326 -109556.5663 299.5633 -161681.5989 -109206.4432 298.7293 156.9616 186.5981 761508.4732 -11.3395 -11.3877 PRESSURE: 2639000 28.8102 -93.1298 -181.726 -93.1289 35.3211 -65.7077 -181.725 -65.7076 195.349 GPRESSURE: 2639000 131.846 -106.659 -172.85 -4.17492 -14.8877 -60.0304 -173.967 -67.0386 211.948 PRESSAVG: 2639000 19.2398 -23.4158 -11.652 -23.4158 20.1228 1.10817 -11.652 1.10814 31.7626 GPRESSAVG: 2639000 19.206 -24.4344 -10.1269 -22.399 20.232 -0.316514 -11.7851 -0.777943 31.962 TIMING: 2639000 CPU: 8411.71, 0.00313311/step Wall: 8411.71, 0.00313311/step, 2.0548 hours remaining, 241.062500 MB of memory in use. ENERGY: 2639000 3917.5919 20535.2199 14459.9573 270.8599 -203282.3940 2736.6872 0.0000 0.0000 51785.9849 -109576.0929 297.6148 -161362.0778 -109225.2983 298.5250 86.4936 109.6355 761683.3058 23.7084 23.8000 PRESSURE: 2639200 69.9652 -37.8721 -24.7187 -37.8728 17.0717 85.165 -24.7186 85.1646 -110.792 GPRESSURE: 2639200 157.304 -49.1268 -11.9599 -45.9926 16.3196 164.005 22.9017 109.176 -141.244 PRESSAVG: 2639200 21.864 -19.2129 -4.58641 -19.213 32.4609 36.1048 -4.58643 36.1048 -13.7134 GPRESSAVG: 2639200 21.6791 -19.244 -5.59575 -19.4575 32.4189 37.3098 -5.30664 38.721 -14.3679 TIMING: 2639200 CPU: 8412.33, 0.00311353/step Wall: 8412.33, 0.00311353/step, 2.04178 hours remaining, 241.062500 MB of memory in use. ENERGY: 2639200 3976.2534 20459.7085 14462.5693 232.7163 -203476.2670 2552.9760 0.0000 0.0000 52410.8726 -109381.1707 301.2060 -161792.0434 -109015.5378 298.4554 -7.9183 10.7932 760329.9956 13.5371 13.2434 PRESSURE: 2639400 -182.16 62.0217 253.682 62.022 -156.05 -128.825 253.682 -128.825 212.31 GPRESSURE: 2639400 -177.725 105.452 186.519 2.82883 -1.81456 -103.354 242.242 -110.424 137.821 PRESSAVG: 2639400 2.09808 -4.94776 8.11139 -4.94772 11.7412 8.2049 8.11143 8.20487 21.5883 GPRESSAVG: 2639400 1.23252 -5.55996 6.77433 -5.64655 13.4079 6.89413 9.62142 8.54505 20.455 TIMING: 2639400 CPU: 8412.96, 0.0031302/step Wall: 8412.96, 0.0031302/step, 2.05254 hours remaining, 241.062500 MB of memory in use. ENERGY: 2639400 3950.6477 20493.9466 14490.9334 258.3094 -203238.9081 2594.4004 0.0000 0.0000 51992.0798 -109458.5909 298.7992 -161450.6707 -109103.8049 299.8104 -41.9666 -13.9061 761017.1157 11.8092 11.6985 PRESSURE: 2639600 51.0751 -72.9363 -24.2935 -72.9358 163.274 139.14 -24.2933 139.14 -336.411 GPRESSURE: 2639600 142.727 59.776 60.9406 -110.484 149.186 122.386 -120.201 80.5958 -317.338 PRESSAVG: 2639600 35.8099 -21.3205 3.83902 -21.3205 0.762751 -26.1929 3.83904 -26.1928 -8.21415 GPRESSAVG: 2639600 35.2696 -19.0611 4.95778 -22.1541 -0.490228 -26.5612 2.55019 -27.9574 -6.69363 TIMING: 2639600 CPU: 8413.59, 0.00313674/step Wall: 8413.59, 0.00313674/step, 2.05666 hours remaining, 241.062500 MB of memory in use. ENERGY: 2639600 3946.3035 20272.7372 14568.8376 270.2349 -203227.6498 2643.8029 0.0000 0.0000 51929.0456 -109596.6880 298.4369 -161525.7336 -109235.1938 298.6012 -40.6873 -8.4751 762831.1975 9.4528 9.3619 PRESSURE: 2639800 -66.35 -8.85839 -186.672 -8.85833 -344.111 -223.425 -186.673 -223.423 -75.398 GPRESSURE: 2639800 -50.0765 58.9743 -145.848 -92.9867 -299.212 -202.57 -193.488 -258.695 -39.2606 PRESSAVG: 2639800 37.3872 -56.6435 28.8446 -56.6435 -54.1218 -12.0241 28.8446 -12.0241 -14.1559 GPRESSAVG: 2639800 38.5394 -56.2873 28.2019 -56.0963 -56.471 -11.997 28.8268 -12.7747 -13.3893 TIMING: 2639800 CPU: 8414.22, 0.003142/step Wall: 8414.22, 0.003142/step, 2.05993 hours remaining, 241.062500 MB of memory in use. ENERGY: 2639800 3963.5225 20580.6687 14472.4851 251.1408 -203337.0916 2680.9423 0.0000 0.0000 51768.7254 -109619.6069 297.5156 -161388.3323 -109265.2926 298.7136 -161.9531 -129.5163 761703.0666 -10.2968 -10.4403 PRESSURE: 2640000 -11.9302 -111.104 43.849 -111.104 -15.124 -47.3077 43.8489 -47.3083 -243.928 GPRESSURE: 2640000 140.791 -55.5965 3.8015 -61.9609 -79.3521 -199.793 22.4035 84.2332 -237.519 PRESSAVG: 2640000 52.7462 -6.49132 -26.5254 -6.49133 -67.515 -69.6791 -26.5253 -69.679 1.89133 GPRESSAVG: 2640000 53.1771 -6.74007 -26.419 -5.87535 -66.7632 -68.9879 -25.2505 -67.5881 0.780574 TIMING: 2640000 CPU: 8414.84, 0.0031241/step Wall: 8414.84, 0.0031241/step, 2.04802 hours remaining, 241.062500 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: 2640000 4007.0441 20417.9956 14444.1571 236.7896 -203661.0071 2931.4085 0.0000 0.0000 52042.3389 -109581.2733 299.0880 -161623.6122 -109218.7177 298.7560 -90.3276 -58.6936 763183.5524 -4.2925 -4.2685 PRESSURE: 2640200 -303.41 285.457 -18.9094 285.458 -294.091 95.5702 -18.9086 95.5711 -182.881 GPRESSURE: 2640200 -177.901 297.24 50.2724 120.443 -342.894 100.916 36.8192 80.6945 -186.485 PRESSAVG: 2640200 66.9919 3.88022 -16.9695 3.88014 -102.805 25.4179 -16.9695 25.4179 21.3256 GPRESSAVG: 2640200 65.0364 3.58996 -15.4911 1.40252 -101.332 25.776 -19.1145 25.8936 22.5324 TIMING: 2640200 CPU: 8415.47, 0.00312184/step Wall: 8415.47, 0.00312184/step, 2.04637 hours remaining, 241.062500 MB of memory in use. ENERGY: 2640200 4001.2020 20322.7191 14499.6830 243.9972 -203211.9138 2418.3759 0.0000 0.0000 52244.1960 -109481.7406 300.2481 -161725.9366 -109116.5452 299.3575 -260.1276 -235.7599 763716.9862 -4.8292 -4.5877 LDB: ============= START OF LOAD BALANCING ============== 8427.91 LDB: ============== END OF LOAD BALANCING =============== 8427.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8427.91 LDB: ============= START OF LOAD BALANCING ============== 8428.23 LDB: Largest compute 7072 load 0.032680 is 16.7% of average load 0.195279 LDB: Average compute 0.004399 is 2.3% of average load 0.195279 LDB: TIME 8428.23 LOAD: AVG 0.195279 MAX 0.215213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 8428.23 LOAD: AVG 0.195279 MAX 0.215213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: TIME 8428.23 LOAD: AVG 0.195279 MAX 0.215213 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: ============== END OF LOAD BALANCING =============== 8428.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8428.24 PRESSURE: 2640400 18.6902 -83.8467 -125.303 -83.8466 -62.7209 -68.9377 -125.305 -68.9392 -450.878 GPRESSURE: 2640400 106.909 -6.38129 -134.549 -77.4677 -135.028 -265.068 -95.4895 70.873 -409.088 PRESSAVG: 2640400 36.2828 -38.4658 21.3538 -38.4658 7.66295 19.0635 21.3537 19.0635 11.0563 GPRESSAVG: 2640400 37.9218 -38.5422 19.6088 -36.7748 6.18754 18.2769 23.2099 18.1798 10.5782 TIMING: 2640400 CPU: 8416.1, 0.00318391/step Wall: 8416.1, 0.00318392/step, 2.08688 hours remaining, 239.527344 MB of memory in use. ENERGY: 2640400 4028.7448 20536.3689 14581.3861 239.8319 -203007.7764 2231.1886 0.0000 0.0000 51934.1076 -109456.1485 298.4660 -161390.2561 -109104.5899 298.9843 -164.9695 -145.7357 762769.9960 18.3340 18.2292 PRESSURE: 2640600 78.1538 10.2032 -95.4269 10.2032 -191.459 -36.1965 -95.4259 -36.1961 292.099 GPRESSURE: 2640600 176.515 106.966 -165.32 -78.5276 -134.507 -110.046 -29.7673 -39.2915 244.167 PRESSAVG: 2640600 8.90119 -15.0482 -9.3688 -15.0483 -21.8586 -41.5291 -9.36883 -41.5292 -7.32211 GPRESSAVG: 2640600 10.3541 -15.0296 -8.1258 -14.3429 -22.543 -40.8 -10.4618 -42.4777 -7.60066 TIMING: 2640600 CPU: 8416.72, 0.00311271/step Wall: 8416.72, 0.00311271/step, 2.04003 hours remaining, 239.527344 MB of memory in use. ENERGY: 2640600 3934.7104 20324.8877 14536.8644 247.2339 -203208.3171 2516.3003 0.0000 0.0000 52241.6526 -109406.6678 300.2335 -161648.3204 -109035.8091 298.9724 59.5981 95.3920 761236.3604 -6.7599 -6.5965 PRESSURE: 2640800 -152.84 -32.3193 -182.31 -32.3195 64.835 -61.2354 -182.31 -61.2359 149.401 GPRESSURE: 2640800 -134.387 7.92047 -241.278 -40.9281 120.724 -35.7807 -179.926 23.0133 178.084 PRESSAVG: 2640800 18.5921 -15.8216 50.1127 -15.8217 -23.4045 25.5032 50.1127 25.5032 -4.23438 GPRESSAVG: 2640800 16.6271 -14.1333 49.283 -15.4438 -22.1653 24.2241 51.4374 25.3433 -3.04715 TIMING: 2640800 CPU: 8417.35, 0.0031084/step Wall: 8417.35, 0.0031084/step, 2.03704 hours remaining, 239.527344 MB of memory in use. ENERGY: 2640800 4005.0812 20501.1071 14506.3473 243.6330 -203484.4615 2671.1869 0.0000 0.0000 52029.8816 -109527.2244 299.0164 -161557.1060 -109163.5367 299.1620 20.4653 54.8068 759662.9503 -3.0156 -2.8618 PRESSURE: 2641000 135.66 -72.2536 290.206 -72.2538 205.538 -340.312 290.206 -340.313 284.355 GPRESSURE: 2641000 178.766 -151.282 213.86 -89.3433 184.389 -305.217 218.984 -181.737 334.551 PRESSAVG: 2641000 32.5572 -69.7186 24.0367 -69.7186 -22.8706 -37.272 24.0367 -37.272 -1.05932 GPRESSAVG: 2641000 32.9147 -70.885 23.7427 -70.0124 -23.3073 -36.1809 23.922 -36.7132 -0.690576 TIMING: 2641000 CPU: 8417.97, 0.00311763/step Wall: 8417.97, 0.00311763/step, 2.04292 hours remaining, 239.527344 MB of memory in use. ENERGY: 2641000 4001.5745 20346.8244 14450.5721 250.6495 -203510.8734 2646.3484 0.0000 0.0000 52130.8487 -109684.0558 299.5967 -161814.9045 -109313.8285 299.2131 208.5175 232.5686 760626.9450 2.8758 2.9723 PRESSURE: 2641200 211.009 -116.493 -111.473 -116.493 -68.7202 193.509 -111.473 193.509 -32.2938 GPRESSURE: 2641200 192.962 -12.8866 -67.5303 -37.8485 -21.8377 204.966 -34.4654 10.3234 19.7178 PRESSAVG: 2641200 40.1275 -45.4197 46.3537 -45.4197 -21.304 -52.7075 46.3537 -52.7076 27.1649 GPRESSAVG: 2641200 40.7809 -45.5385 46.4801 -44.0105 -20.6836 -53.7571 44.6536 -53.6702 25.3936 TIMING: 2641200 CPU: 8418.59, 0.00311552/step Wall: 8418.59, 0.00311552/step, 2.04136 hours remaining, 239.527344 MB of memory in use. ENERGY: 2641200 3976.1782 20271.5224 14467.3188 254.8559 -203350.9456 2608.2382 0.0000 0.0000 51988.3638 -109784.4682 298.7778 -161772.8320 -109417.4676 299.0881 36.6649 63.6140 760552.0746 15.3295 15.1636 PRESSURE: 2641400 -164.195 -247.327 -57.771 -247.328 -223.9 173.094 -57.7721 173.094 -59.5595 GPRESSURE: 2641400 -139.405 -71.9932 -133.084 -281.695 -138.837 150.317 -76.3993 64.5711 -110.294 PRESSAVG: 2641400 -23.603 -67.4806 35.4847 -67.4806 -8.40973 -60.5809 35.4846 -60.5809 19.1099 GPRESSAVG: 2641400 -24.3069 -64.2711 34.6351 -71.5917 -7.32923 -58.8764 37.2221 -59.3784 18.7265 TIMING: 2641400 CPU: 8419.21, 0.00310981/step Wall: 8419.21, 0.00310981/step, 2.03744 hours remaining, 239.527344 MB of memory in use. ENERGY: 2641400 4016.7605 20467.4942 14364.2629 259.3935 -203237.3016 2587.1073 0.0000 0.0000 51893.1123 -109649.1708 298.2304 -161542.2831 -109300.4630 298.7050 -149.2183 -129.5119 761047.6824 -4.3010 -4.3032 PRESSURE: 2641600 254.412 -66.7999 63.0264 -66.7998 118.909 -31.3878 63.0264 -31.3873 -80.8245 GPRESSURE: 2641600 270.135 -154.031 9.35864 -220.654 134.107 -85.0727 160.17 -74.5002 -25.9597 PRESSAVG: 2641600 20.0309 -68.9315 -3.7292 -68.9315 5.39776 -25.3831 -3.72918 -25.3831 2.97204 GPRESSAVG: 2641600 21.3053 -72.0449 -2.20582 -67.2327 3.59551 -25.3949 -4.33581 -26.8259 3.64263 TIMING: 2641600 CPU: 8419.84, 0.0031115/step Wall: 8419.84, 0.0031115/step, 2.03838 hours remaining, 239.527344 MB of memory in use. ENERGY: 2641600 3940.0040 20348.7039 14502.4717 250.5188 -203334.9666 2714.8477 0.0000 0.0000 52227.2127 -109351.2077 300.1505 -161578.4204 -108989.3568 299.0252 97.4991 126.0940 760583.1875 9.4669 9.5145 PRESSURE: 2641800 38.1793 61.7502 -252.407 61.7506 -224.38 63.2478 -252.408 63.2476 -395.624 GPRESSURE: 2641800 -41.1689 36.8773 -267.88 -2.75857 -170.807 -3.38105 -290.212 220.139 -278.255 PRESSAVG: 2641800 35.0987 10.6202 -22.3023 10.6202 -31.726 -55.46 -22.3024 -55.4599 -10.8211 GPRESSAVG: 2641800 32.5806 8.723 -21.6584 11.2797 -29.566 -58.6376 -21.3903 -53.1749 -10.115 TIMING: 2641800 CPU: 8420.46, 0.00311644/step Wall: 8420.46, 0.00311644/step, 2.04144 hours remaining, 239.527344 MB of memory in use. ENERGY: 2641800 3937.0641 20417.0134 14532.8277 282.4040 -203047.2907 2483.5158 0.0000 0.0000 51862.7356 -109531.7300 298.0559 -161394.4657 -109178.3740 299.1136 -193.9415 -163.4103 762057.9376 -2.4828 -2.3668 PRESSURE: 2642000 -66.9143 120.71 55.219 120.71 146.307 -11.6282 55.2192 -11.6275 -89.5172 GPRESSURE: 2642000 -70.1434 -0.300837 -92.7722 49.159 194.701 -11.4019 56.7461 61.433 -71.7685 PRESSAVG: 2642000 23.6705 -56.0075 30.1924 -56.0074 -8.57779 22.8922 30.1924 22.8923 5.09627 GPRESSAVG: 2642000 24.4706 -54.4099 28.8509 -55.2898 -11.259 27.0084 28.5672 22.4262 6.49082 TIMING: 2642000 CPU: 8421.08, 0.00310985/step Wall: 8421.08, 0.00310985/step, 2.03695 hours remaining, 239.527344 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: 2642000 3873.9168 20287.5429 14480.2813 263.9386 -203559.4383 2690.0681 0.0000 0.0000 52182.0667 -109781.6237 299.8911 -161963.6904 -109421.1672 298.7123 -3.3749 17.5963 759892.3206 6.7297 6.5675 PRESSURE: 2642200 -27.462 -18.3728 -31.9116 -18.3724 -376.53 143.458 -31.9112 143.459 347.64 GPRESSURE: 2642200 -19.7208 -19.6215 -94.8031 102.295 -267.982 121.229 17.7642 39.6017 327.249 PRESSAVG: 2642200 -1.47929 7.81396 9.84117 7.81394 36.1658 -3.9979 9.84114 -3.99782 32.5734 GPRESSAVG: 2642200 -0.861619 7.44474 8.31969 10.0242 36.9238 -5.7622 11.5742 -5.27528 31.0091 TIMING: 2642200 CPU: 8421.71, 0.00311452/step Wall: 8421.71, 0.00311452/step, 2.03984 hours remaining, 239.527344 MB of memory in use. ENERGY: 2642200 3877.8280 20287.4275 14432.9006 265.2422 -202775.0741 2081.6646 0.0000 0.0000 51899.0361 -109930.9751 298.2645 -161830.0112 -109572.1251 298.4005 -18.7843 13.1821 760280.9938 22.4200 22.3571 PRESSURE: 2642400 -167.34 76.5771 -255.915 76.5774 53.1347 95.9162 -255.913 95.9159 -68.2222 GPRESSURE: 2642400 -89.7678 39.7297 -260.57 115.873 48.9435 120.532 -261.082 180.827 -44.8757 PRESSAVG: 2642400 9.76282 -19.403 -11.3954 -19.4029 29.6472 22.6406 -11.3954 22.6406 6.69377 GPRESSAVG: 2642400 8.86263 -18.3112 -9.6312 -21.814 30.039 22.4426 -12.3111 23.5556 6.72474 TIMING: 2642400 CPU: 8422.33, 0.00311057/step Wall: 8422.33, 0.00311057/step, 2.03708 hours remaining, 239.527344 MB of memory in use. ENERGY: 2642400 3982.7399 20351.9447 14448.3223 239.4165 -203341.0166 2472.6351 0.0000 0.0000 52183.8964 -109662.0617 299.9016 -161845.9581 -109310.2528 298.3952 -60.8090 -28.5667 761071.7206 15.3679 15.2088 PRESSURE: 2642600 159.774 -14.6811 -78.8327 -14.681 95.4623 -0.630233 -78.8326 -0.630609 411.891 GPRESSURE: 2642600 166.766 44.864 -58.7453 41.9974 130.18 -92.4312 -92.151 20.5231 452.755 PRESSAVG: 2642600 -23.7886 21.8504 33.4888 21.8504 7.21689 8.7666 33.4888 8.7666 -9.23595 GPRESSAVG: 2642600 -23.6051 20.4383 33.5414 24.1303 7.70231 7.8104 34.6801 10.9356 -9.33098 TIMING: 2642600 CPU: 8422.96, 0.00314442/step Wall: 8422.96, 0.00314442/step, 2.05907 hours remaining, 239.527344 MB of memory in use. ENERGY: 2642600 3956.0287 20429.5527 14568.2801 265.3114 -203517.9976 2795.8392 0.0000 0.0000 51917.0976 -109585.8879 298.3683 -161502.9855 -109227.2325 299.1731 222.3755 249.9000 760994.0675 -8.6026 -8.4113 PRESSURE: 2642800 160.03 -331.215 -195.857 -331.216 -15.0733 -181.409 -195.857 -181.41 232.971 GPRESSURE: 2642800 175.722 -278.962 -56.4707 -283.601 14.4622 -151.134 -201.072 -57.3927 267.216 PRESSAVG: 2642800 10.3971 -28.5277 -12.9921 -28.5277 11.6557 -30.2015 -12.9922 -30.2016 2.90087 GPRESSAVG: 2642800 10.1056 -27.7478 -13.9038 -30.7906 11.5518 -28.9974 -13.8995 -32.5569 3.3109 TIMING: 2642800 CPU: 8423.58, 0.00312554/step Wall: 8423.58, 0.00312554/step, 2.04653 hours remaining, 239.527344 MB of memory in use. ENERGY: 2642800 4021.8521 20436.9661 14530.0027 229.9775 -203729.0396 2794.9428 0.0000 0.0000 52074.7828 -109640.5155 299.2745 -161715.2983 -109286.0062 298.8566 125.9761 152.4669 760113.8756 8.3179 8.3228 PRESSURE: 2643000 207.42 -29.3263 -61.9249 -29.3255 -19.8388 -25.2711 -61.9241 -25.2717 167.403 GPRESSURE: 2643000 270.427 -102.414 -95.0703 -49.6414 62.3994 45.6051 9.44857 -20.0273 102.884 PRESSAVG: 2643000 -4.34136 -19.4719 55.4659 -19.4719 -26.9735 25.7847 55.4658 25.7846 -12.7716 GPRESSAVG: 2643000 -1.74338 -21.6521 56.6167 -19.4708 -28.6624 25.2335 54.0066 25.3254 -13.3491 TIMING: 2643000 CPU: 8424.21, 0.00312469/step Wall: 8424.21, 0.00312469/step, 2.0458 hours remaining, 239.527344 MB of memory in use. ENERGY: 2643000 3922.3571 20495.8387 14472.6123 253.1063 -203290.3223 2551.4018 0.0000 0.0000 51907.1499 -109687.8562 298.3111 -161595.0061 -109323.2808 298.8255 118.3281 145.2367 759688.0453 -14.6955 -14.5850 PRESSURE: 2643200 -43.2189 54.6012 114.162 54.6019 -447.574 28.5234 114.162 28.523 -250.725 GPRESSURE: 2643200 -38.0639 -14.453 108.632 -58.8178 -308.527 -55.0856 174.664 52.3266 -309.984 PRESSAVG: 2643200 7.6295 -11.6812 9.75887 -11.6811 7.62367 -60.6645 9.75886 -60.6645 19.3827 GPRESSAVG: 2643200 7.31277 -8.00614 9.29243 -11.9945 9.41734 -62.2483 13.0487 -59.3305 18.3069 TIMING: 2643200 CPU: 8424.84, 0.00315321/step Wall: 8424.84, 0.00315321/step, 2.0643 hours remaining, 239.527344 MB of memory in use. ENERGY: 2643200 3992.5100 20423.0116 14575.8104 232.5605 -203474.1541 2659.7452 0.0000 0.0000 52145.2871 -109445.2294 299.6797 -161590.5165 -109079.3955 299.2826 -247.1725 -218.8581 760848.0724 11.5453 11.6790 PRESSURE: 2643400 -0.993647 -110.907 185.301 -110.908 -203.815 -214.003 185.3 -214.003 -25.9005 GPRESSURE: 2643400 -3.36591 14.9094 108.737 -132.497 -197.704 -248.787 134.468 -207.605 44.9869 PRESSAVG: 2643400 -22.0449 -25.228 -19.469 -25.228 -3.29978 30.0327 -19.469 30.0326 0.222853 GPRESSAVG: 2643400 -23.8818 -26.0902 -19.376 -26.0472 -3.40241 31.0533 -21.3571 27.8813 2.38456 TIMING: 2643400 CPU: 8425.47, 0.00314558/step Wall: 8425.47, 0.00314558/step, 2.05913 hours remaining, 239.527344 MB of memory in use. ENERGY: 2643400 3997.2642 20413.2238 14526.3534 239.1474 -203166.6655 2343.6173 0.0000 0.0000 52361.1600 -109285.8994 300.9203 -161647.0594 -108920.0962 299.7554 -76.9031 -52.0276 762249.5264 -8.3739 -8.2999 PRESSURE: 2643600 -25.9143 -152.326 -156.652 -152.326 12.6 76.598 -156.653 76.5984 -15.5294 GPRESSURE: 2643600 152.856 -147.179 -128.971 -97.5142 -32.3783 56.6067 -66.167 182.744 -62.2775 PRESSAVG: 2643600 -76.1632 -20.8904 18.321 -20.8905 70.0217 30.2733 18.3211 30.2733 2.5158 GPRESSAVG: 2643600 -75.2768 -21.1891 18.5832 -22.1789 70.5001 30.2624 18.7789 32.553 1.57888 TIMING: 2643600 CPU: 8426.09, 0.00311903/step Wall: 8426.09, 0.00311903/step, 2.04158 hours remaining, 239.527344 MB of memory in use. ENERGY: 2643600 3990.3727 20489.5940 14526.6247 253.2362 -203476.5104 2740.9853 0.0000 0.0000 52178.8755 -109296.8219 299.8727 -161475.6974 -108931.5407 299.9035 -9.6146 19.4002 761762.5478 -1.2086 -1.0659 PRESSURE: 2643800 -102.842 110.414 -179.794 110.414 -213.948 38.1276 -179.793 38.1289 -596.594 GPRESSURE: 2643800 -101.992 84.5553 -85.5809 100.758 -166.714 171.677 -75.1363 -79.9209 -526.771 PRESSAVG: 2643800 22.2687 27.0088 47.5389 27.0088 14.2577 14.5755 47.5388 14.5754 -14.0197 GPRESSAVG: 2643800 22.246 27.3961 49.012 28.9211 14.6455 15.5315 46.1946 13.3966 -14.5438 TIMING: 2643800 CPU: 8426.71, 0.00311591/step Wall: 8426.71, 0.00311591/step, 2.03937 hours remaining, 239.527344 MB of memory in use. ENERGY: 2643800 3940.2100 20545.4092 14574.3087 248.3089 -203151.8011 2440.0169 0.0000 0.0000 51967.7559 -109435.7916 298.6594 -161403.5475 -109073.4332 299.5722 -304.4615 -265.1590 761799.6048 7.5022 7.4492 PRESSURE: 2644000 -237.233 -136.995 41.3335 -136.996 135.714 37.3231 41.3328 37.3235 394.458 GPRESSURE: 2644000 -123.808 -41.3124 -29.1281 -255.472 165.627 23.6351 22.7191 19.9256 331.68 PRESSAVG: 2644000 14.4987 30.6485 22.3116 30.6485 37.3005 -27.302 22.3116 -27.302 8.29832 GPRESSAVG: 2644000 15.3564 31.3883 21.3688 30.8694 35.6158 -28.193 22.1323 -28.8612 9.00621 TIMING: 2644000 CPU: 8427.34, 0.00312996/step Wall: 8427.34, 0.00312996/step, 2.04838 hours remaining, 239.527344 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: 2644000 3952.3976 20504.8778 14573.8438 257.7990 -203831.6891 2688.1836 0.0000 0.0000 52274.1961 -109580.3912 300.4205 -161854.5873 -109214.5159 299.5054 97.6465 124.4997 760689.5729 20.0325 19.9928 PRESSURE: 2644200 147.544 -172.763 97.2828 -172.762 66.6113 86.5275 97.2829 86.528 301.419 GPRESSURE: 2644200 215.052 -91.2695 150.203 -125.22 61.6705 -18.5687 105.501 43.8211 315.906 PRESSAVG: 2644200 -24.2896 29.7797 -2.51526 29.7797 80.3275 27.9263 -2.51522 27.9264 5.63957 GPRESSAVG: 2644200 -25.3911 29.2616 -4.44217 29.0536 81.2482 27.6291 -2.09944 28.019 5.97486 TIMING: 2644200 CPU: 8427.97, 0.00313369/step Wall: 8427.97, 0.00313369/step, 2.05065 hours remaining, 239.527344 MB of memory in use. ENERGY: 2644200 3955.7637 20650.5046 14558.3441 240.5481 -203619.0237 2688.1744 0.0000 0.0000 52090.2121 -109435.4767 299.3632 -161525.6888 -109069.6628 299.6662 171.8580 197.5427 759602.8377 20.5591 20.6107 LDB: ============= START OF LOAD BALANCING ============== 8440.41 LDB: ============== END OF LOAD BALANCING =============== 8440.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8440.42 LDB: ============= START OF LOAD BALANCING ============== 8440.73 LDB: Largest compute 7038 load 0.033031 is 16.9% of average load 0.195251 LDB: Average compute 0.004368 is 2.2% of average load 0.195251 LDB: TIME 8440.73 LOAD: AVG 0.195251 MAX 0.214169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 8440.73 LOAD: AVG 0.195251 MAX 0.214169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: TIME 8440.73 LOAD: AVG 0.195251 MAX 0.214169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: ============== END OF LOAD BALANCING =============== 8440.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8440.74 PRESSURE: 2644400 -255.981 96.0894 -87.5469 96.0898 -263.751 -112.564 -87.5467 -112.563 -364.884 GPRESSURE: 2644400 -275.745 173.214 -65.1684 89.5379 -229.168 -130.626 -11.7999 -25.337 -296.093 PRESSAVG: 2644400 -68.6883 27.0231 -13.9075 27.0231 77.9035 -9.181 -13.9074 -9.18093 -2.7271 GPRESSAVG: 2644400 -70.3948 25.0554 -13.2321 27.3921 78.201 -7.03907 -13.0937 -7.03209 -1.64656 TIMING: 2644400 CPU: 8428.6, 0.00318183/step Wall: 8428.6, 0.00318183/step, 2.08198 hours remaining, 240.808594 MB of memory in use. ENERGY: 2644400 3986.9814 20757.6083 14499.0773 248.3749 -203151.9765 2369.8978 0.0000 0.0000 51921.9445 -109368.0924 298.3961 -161290.0369 -109016.1055 299.3437 -294.8721 -267.0020 761429.2288 2.1627 2.0532 PRESSURE: 2644600 549.341 27.8267 162 27.8271 -410.529 221.845 162 221.844 -51.6474 GPRESSURE: 2644600 554.343 -100.405 173.435 35.7516 -321.274 158.145 165.347 174.878 -72.106 PRESSAVG: 2644600 22.969 15.4629 -16.772 15.463 -9.71587 89.7531 -16.772 89.7531 7.81465 GPRESSAVG: 2644600 23.7427 15.1441 -15.4392 16.5239 -8.44163 88.4471 -17.9796 87.134 6.25754 TIMING: 2644600 CPU: 8429.23, 0.00311948/step Wall: 8429.23, 0.00311948/step, 2.04101 hours remaining, 240.878906 MB of memory in use. ENERGY: 2644600 3968.7341 20570.8112 14537.5228 218.8192 -203697.7596 2709.9630 0.0000 0.0000 52245.2623 -109446.6471 300.2542 -161691.9094 -109074.6255 299.9182 29.0548 53.6541 760311.2591 7.0226 7.1862 PRESSURE: 2644800 -126.138 191.59 8.51728 191.59 234.585 158.889 8.51703 158.888 116.389 GPRESSURE: 2644800 -86.8901 271.617 -19.2492 -3.76738 228.828 195.932 24.2856 130.929 165.453 PRESSAVG: 2644800 38.1295 -53.9447 17.6195 -53.9447 23.715 62.3424 17.6195 62.3425 14.5313 GPRESSAVG: 2644800 39.9333 -54.6602 17.3066 -55.6153 21.545 61.8466 18.1764 62.4569 14.3671 TIMING: 2644800 CPU: 8429.85, 0.00313338/step Wall: 8429.85, 0.00313338/step, 2.04993 hours remaining, 240.878906 MB of memory in use. ENERGY: 2644800 3974.7305 20432.5767 14527.0741 253.1992 -203554.5042 2657.1118 0.0000 0.0000 52001.3588 -109708.4530 298.8525 -161709.8119 -109345.1263 299.4392 74.9456 102.4637 760054.1054 25.4586 25.2818 PRESSURE: 2645000 267.329 186.966 120.837 186.966 4.30013 -170.269 120.837 -170.27 203.187 GPRESSURE: 2645000 228.393 150.582 84.373 121.532 106.193 -172.841 98.3642 -142.106 219.873 PRESSAVG: 2645000 50.3187 6.07658 37.8484 6.07662 -37.6026 -11.3235 37.8485 -11.3236 0.198422 GPRESSAVG: 2645000 48.6509 6.92996 37.7435 8.91788 -36.8898 -11.8902 36.2162 -10.9918 1.08708 TIMING: 2645000 CPU: 8430.48, 0.00312489/step Wall: 8430.48, 0.00312489/step, 2.0442 hours remaining, 240.878906 MB of memory in use. ENERGY: 2645000 3933.6804 20618.6929 14535.6141 245.3710 -203747.1943 2785.0322 0.0000 0.0000 51720.0046 -109908.7991 297.2356 -161628.8037 -109549.9154 298.5614 158.2721 184.8193 759960.5224 4.3049 4.2827 PRESSURE: 2645200 95.1062 240.143 0.258818 240.144 -45.5489 41.5423 0.258627 41.5418 177.344 GPRESSURE: 2645200 152.978 203.847 21.0283 231.435 -74.039 -17.5949 74.1088 7.82138 212.081 PRESSAVG: 2645200 44.724 8.07997 1.29909 8.08001 -77.7874 -19.0967 1.29906 -19.0966 -8.53444 GPRESSAVG: 2645200 45.4944 9.25508 2.0406 5.78347 -78.6939 -18.2896 2.81346 -18.2664 -9.29755 TIMING: 2645200 CPU: 8431.1, 0.00312516/step Wall: 8431.1, 0.00312515/step, 2.0442 hours remaining, 240.878906 MB of memory in use. ENERGY: 2645200 4045.3534 20530.9972 14585.0407 242.8135 -204136.4807 2738.6592 0.0000 0.0000 52155.1946 -109838.4221 299.7366 -161993.6167 -109478.7863 298.1005 75.6339 97.0068 759050.0929 -13.8659 -14.1657 PRESSURE: 2645400 -53.5777 20.4394 25.1676 20.4396 -189.448 160.763 25.1681 160.762 -398.84 GPRESSURE: 2645400 -95.3075 30.6629 65.2737 -165.676 -118.254 83.6319 -16.7073 21.822 -333.78 PRESSAVG: 2645400 -13.8499 -3.7729 -27.9571 -3.77288 -2.06178 38.4594 -27.9572 38.4593 -7.13051 GPRESSAVG: 2645400 -14.4269 -2.85312 -29.9804 -2.37208 -1.30988 35.8857 -27.5787 39.4009 -7.65681 TIMING: 2645400 CPU: 8431.73, 0.00311617/step Wall: 8431.73, 0.00311617/step, 2.03815 hours remaining, 240.878906 MB of memory in use. ENERGY: 2645400 3996.5909 20287.9968 14553.2820 251.3102 -203391.9934 2289.4943 0.0000 0.0000 52089.0437 -109924.2754 299.3564 -162013.3191 -109556.0631 298.7142 -213.9552 -182.4472 762110.1149 -7.6807 -7.7979 PRESSURE: 2645600 -215.642 173.866 47.8213 173.866 -43.6928 423.179 47.8221 423.179 75.22 GPRESSURE: 2645600 -89.1047 64.5472 121.11 152.535 -84.4423 352.869 94.0915 296.998 95.9455 PRESSAVG: 2645600 -65.8622 51.315 -62.4522 51.3149 45.1584 58.1959 -62.4522 58.1958 18.6361 GPRESSAVG: 2645600 -66.0181 49.839 -61.3265 49.7074 44.5458 60.3739 -64.5014 57.3709 19.5861 TIMING: 2645600 CPU: 8432.35, 0.00312494/step Wall: 8432.35, 0.00312494/step, 2.04371 hours remaining, 240.878906 MB of memory in use. ENERGY: 2645600 3854.1086 20427.4453 14585.3739 244.6305 -203252.3277 2241.4790 0.0000 0.0000 51802.2952 -110096.9952 297.7085 -161899.2904 -109720.6042 298.0745 -61.3718 -25.8671 760616.2384 -0.6892 -0.6287 PRESSURE: 2645800 -162.933 67.1266 171.365 67.1271 -252.34 51.6178 171.366 51.6175 -146.663 GPRESSURE: 2645800 -126.559 38.7292 115.216 19.2669 -191.287 98.9889 198.09 88.6238 -145.56 PRESSAVG: 2645800 11.3619 -14.7223 73.5516 -14.7223 10.3459 23.2727 73.5516 23.2727 -15.5513 GPRESSAVG: 2645800 12.0687 -14.1242 72.6586 -12.8278 10.7204 24.0443 74.809 22.8592 -16.7455 TIMING: 2645800 CPU: 8432.98, 0.00313335/step Wall: 8432.98, 0.00313335/step, 2.04904 hours remaining, 240.878906 MB of memory in use. ENERGY: 2645800 4011.9253 20535.0179 14495.2894 262.3964 -203877.4030 2523.0990 0.0000 0.0000 52057.8687 -109991.8064 299.1773 -162049.6751 -109620.6919 298.1148 -187.3122 -154.4686 759762.4203 2.0522 2.0145 PRESSURE: 2646000 6.64506 45.2775 93.5554 45.2773 -12.8892 197.804 93.5553 197.804 70.8475 GPRESSURE: 2646000 48.7228 -56.9375 92.3272 112.732 -91.3506 263.109 46.6315 132.929 193.057 PRESSAVG: 2646000 -50.2031 8.64964 19.5132 8.64958 53.7456 -24.5172 19.5132 -24.5173 -0.319963 GPRESSAVG: 2646000 -50.2615 5.99836 20.8334 8.50492 53.2948 -25.4255 18.5678 -23.9956 0.95748 TIMING: 2646000 CPU: 8433.61, 0.00314097/step Wall: 8433.61, 0.00314097/step, 2.05384 hours remaining, 240.878906 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: 2646000 4012.2521 20611.4653 14568.6240 234.3956 -203881.2919 2697.6090 0.0000 0.0000 51720.5942 -110036.3518 297.2390 -161756.9460 -109691.5455 298.0621 21.5345 50.1431 762063.4247 1.0742 1.3303 PRESSURE: 2646200 -514.714 128.086 69.4173 128.086 -173.79 70.7166 69.4165 70.7172 -149.966 GPRESSURE: 2646200 -413.4 107.036 48.2668 80.0382 -224.716 51.4103 214.377 59.9233 -104.496 PRESSAVG: 2646200 -22.1637 -0.0588944 55.7171 -0.0588443 6.43094 -3.51234 55.7171 -3.51231 34.4263 GPRESSAVG: 2646200 -21.7037 1.21645 53.9544 -2.32359 6.48264 -2.39195 56.4894 -4.51455 34.3445 TIMING: 2646200 CPU: 8434.23, 0.00312521/step Wall: 8434.23, 0.00312521/step, 2.04336 hours remaining, 240.878906 MB of memory in use. ENERGY: 2646200 3965.4510 20456.3373 14543.5625 268.9116 -203971.1482 2723.0033 0.0000 0.0000 52026.2507 -109987.6317 298.9956 -162013.8825 -109616.2220 297.8538 -279.4903 -247.5375 761713.1865 6.2312 6.3745 PRESSURE: 2646400 132.642 -81.4997 -136.674 -81.4998 86.6449 102.414 -136.673 102.415 133.127 GPRESSURE: 2646400 155.268 -30.9527 -120.682 -106.756 106.338 24.0248 -133.157 132.61 177.708 PRESSAVG: 2646400 18.3863 -5.0879 78.1898 -5.08795 25.4503 11.1242 78.1898 11.1242 -12.4911 GPRESSAVG: 2646400 18.1578 -2.41641 79.1818 -3.85935 25.661 10.639 78.166 11.6988 -12.902 TIMING: 2646400 CPU: 8434.86, 0.00313698/step Wall: 8434.86, 0.00313698/step, 2.05089 hours remaining, 240.878906 MB of memory in use. ENERGY: 2646400 4011.4439 20560.7651 14555.0127 232.5530 -203845.7132 2679.5769 0.0000 0.0000 51875.0066 -109931.3550 298.1264 -161806.3616 -109572.4985 298.6215 117.4711 146.4380 760922.7107 10.4485 10.3056 PRESSURE: 2646600 581.305 -157.036 183.065 -157.035 -68.7165 -93.9148 183.065 -93.9144 44.0293 GPRESSURE: 2646600 603.785 -279.657 121.005 -126.409 -35.6259 25.0113 165.335 12.9913 78.2086 PRESSAVG: 2646600 37.4795 -47.232 63.6598 -47.2319 -13.9373 31.8442 63.6598 31.8442 25.4175 GPRESSAVG: 2646600 38.5728 -49.7405 64.577 -46.4239 -15.3539 32.9141 64.9853 31.9459 25.792 TIMING: 2646600 CPU: 8435.49, 0.00316338/step Wall: 8435.49, 0.00316338/step, 2.06797 hours remaining, 240.878906 MB of memory in use. ENERGY: 2646600 4009.7993 20401.4354 14475.7558 234.7890 -203982.8341 3038.8296 0.0000 0.0000 52008.0175 -109814.2075 298.8908 -161822.2250 -109452.3569 298.3059 185.5394 215.4559 760883.1857 16.3199 16.3369 PRESSURE: 2646800 214.584 -105.873 -201.83 -105.873 -403.521 369.664 -201.83 369.662 -460.427 GPRESSURE: 2646800 93.0018 -109.258 -195.341 -123.931 -265.449 273.97 -140.284 341.345 -383.185 PRESSAVG: 2646800 41.3222 -30.7153 24.999 -30.7152 -17.8599 -34.1891 24.9989 -34.1892 -13.5564 GPRESSAVG: 2646800 39.8743 -28.8588 23.2461 -30.8627 -17.2108 -35.6909 24.1724 -34.6024 -12.7267 TIMING: 2646800 CPU: 8436.13, 0.00317292/step Wall: 8436.13, 0.00317292/step, 2.07403 hours remaining, 240.878906 MB of memory in use. ENERGY: 2646800 4063.7353 20559.6146 14520.7103 225.7440 -203124.4884 2309.1930 0.0000 0.0000 51738.3692 -109707.1221 297.3411 -161445.4913 -109346.0538 298.6568 -216.4549 -185.2108 759683.6112 3.3019 3.3123 PRESSURE: 2647000 -142.045 10.1566 154.511 10.1567 71.7127 -93.6144 154.512 -93.6146 315.714 GPRESSURE: 2647000 -46.4009 117.048 184.896 -5.80325 80.084 -67.6917 198.024 -179.858 276.75 PRESSAVG: 2647000 17.9959 -44.8302 1.7767 -44.8302 -33.4207 5.93171 1.7767 5.9317 4.24946 GPRESSAVG: 2647000 19.0121 -45.3792 1.92626 -46.5451 -33.7473 7.20673 2.41103 6.58974 3.12526 TIMING: 2647000 CPU: 8436.75, 0.00314281/step Wall: 8436.75, 0.00314281/step, 2.05418 hours remaining, 240.878906 MB of memory in use. ENERGY: 2647000 3937.4025 20488.9856 14573.2055 247.3989 -203377.7694 2592.4411 0.0000 0.0000 51856.8108 -109681.5250 298.0218 -161538.3358 -109315.2238 299.2081 81.7942 103.4778 760672.6224 -3.7251 -3.8700 PRESSURE: 2647200 162.904 78.4005 16.0059 78.4012 65.9251 -142.638 16.0055 -142.638 262.256 GPRESSURE: 2647200 200.518 39.9003 130.252 97.9582 49.8306 -151.429 -132.741 -233.691 322.054 PRESSAVG: 2647200 -50.7042 -29.3814 16.7632 -29.3814 12.668 -29.3319 16.7632 -29.3319 0.219242 GPRESSAVG: 2647200 -51.7946 -29.0508 17.86 -28.3286 13.7873 -29.7912 15.5935 -29.7935 0.474829 TIMING: 2647200 CPU: 8437.38, 0.00314298/step Wall: 8437.38, 0.00314298/step, 2.05411 hours remaining, 240.878906 MB of memory in use. ENERGY: 2647200 4046.4087 20455.5332 14493.5449 252.9272 -203339.5610 2471.5686 0.0000 0.0000 51963.6434 -109655.9352 298.6358 -161619.5785 -109296.0850 298.8400 163.6950 190.8006 759291.1148 -12.6056 -12.5108 PRESSURE: 2647400 -153.926 -83.5505 -50.2108 -83.5502 -397.604 140.467 -50.2108 140.467 16.5306 GPRESSURE: 2647400 -134.423 -167.821 -14.6296 -48.8227 -329.695 96.3554 -40.193 207.768 12.4243 PRESSAVG: 2647400 34.0867 -58.4945 -5.49255 -58.4945 -25.3141 29.4924 -5.49255 29.4924 -1.67416 GPRESSAVG: 2647400 35.29 -60.7811 -4.52808 -56.4269 -25.9595 29.3076 -7.15548 30.3635 -1.7978 TIMING: 2647400 CPU: 8438, 0.00310631/step Wall: 8438, 0.00310631/step, 2.02998 hours remaining, 240.878906 MB of memory in use. ENERGY: 2647400 4007.9093 20480.7653 14498.7974 262.3273 -203503.0007 2665.8705 0.0000 0.0000 51978.1074 -109609.2235 298.7189 -161587.3310 -109245.9800 299.2823 -178.3334 -150.5646 761164.8232 2.3661 2.5109 PRESSURE: 2647600 -36.9171 40.6371 48.6466 40.6374 -110.561 186.698 48.6461 186.698 395.705 GPRESSURE: 2647600 39.0138 -41.9258 57.7124 113.631 -58.9153 169.432 152.516 129.843 367.133 PRESSAVG: 2647600 13.5873 -55.6369 -17.5083 -55.6369 19.5667 35.2898 -17.5083 35.2899 2.95144 GPRESSAVG: 2647600 13.0061 -56.4117 -19.9097 -57.5632 19.5755 35.5392 -15.131 35.2797 3.71699 TIMING: 2647600 CPU: 8438.63, 0.00311671/step Wall: 8438.63, 0.00311671/step, 2.0366 hours remaining, 240.878906 MB of memory in use. ENERGY: 2647600 3889.1588 20528.1553 14513.3753 229.8476 -203516.2473 2570.2525 0.0000 0.0000 52271.8699 -109513.5878 300.4072 -161785.4577 -109150.8408 299.2124 82.7422 115.7439 760622.9416 12.0352 12.0995 PRESSURE: 2647800 -227.197 -25.4025 -23.4903 -25.4022 259.46 -63.539 -23.4903 -63.5387 -212.15 GPRESSURE: 2647800 -140.852 41.3451 63.2033 -0.178132 304.372 -28.9585 -91.5021 97.9553 -251.223 PRESSAVG: 2647800 -37.3492 -34.5481 -43.2735 -34.5482 5.86941 14.1715 -43.2735 14.1715 2.40425 GPRESSAVG: 2647800 -36.8487 -31.3338 -41.452 -34.77 5.87051 13.1222 -45.2385 16.1374 1.92081 TIMING: 2647800 CPU: 8439.25, 0.00311341/step Wall: 8439.25, 0.00311341/step, 2.03427 hours remaining, 240.878906 MB of memory in use. ENERGY: 2647800 4030.8449 20449.7577 14563.7411 253.1368 -203232.6742 2514.3752 0.0000 0.0000 52023.9994 -109396.8191 298.9826 -161420.8184 -109030.6135 299.3310 -59.9626 -29.2345 759695.8295 -9.6918 -9.6858 PRESSURE: 2648000 -145.948 -63.3549 -67.9413 -63.3544 -209.205 -71.0572 -67.9418 -71.057 162.576 GPRESSURE: 2648000 -131.237 -78.1714 -121.639 -141.547 -125.849 -106.05 -54.2683 -31.2492 145.765 PRESSAVG: 2648000 27.2026 -12.1688 -2.62147 -12.1688 -14.9016 3.21326 -2.62146 3.21328 4.97273 GPRESSAVG: 2648000 26.6602 -14.3569 -3.22138 -11.2204 -14.1816 3.81629 -2.24493 4.05193 5.16026 TIMING: 2648000 CPU: 8439.87, 0.00311431/step Wall: 8439.87, 0.00311431/step, 2.03468 hours remaining, 240.878906 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: 2648000 3967.4726 20476.9501 14463.7222 248.0777 -203038.1470 2390.2424 0.0000 0.0000 52252.1173 -109239.5647 300.2936 -161491.6820 -108888.8561 299.3504 -64.1924 -37.1071 762519.9185 5.7579 5.8796 PRESSURE: 2648200 -128.007 66.6487 -170.005 66.6485 163.817 56.0351 -170.005 56.0358 -6.32457 GPRESSURE: 2648200 -85.9349 91.5205 -241.739 18.0912 148.732 89.5227 -130.858 -4.22691 35.5352 PRESSAVG: 2648200 -30.7299 26.6532 52.6639 26.6532 25.4186 58.0894 52.6638 58.0896 4.90024 GPRESSAVG: 2648200 -29.9825 28.2874 49.0696 24.9312 24.4268 57.5308 55.6444 55.6469 4.77144 TIMING: 2648200 CPU: 8440.5, 0.00312617/step Wall: 8440.5, 0.00312617/step, 2.04226 hours remaining, 240.878906 MB of memory in use. ENERGY: 2648200 3936.4801 20675.4937 14526.5543 242.0747 -202999.2568 2373.1372 0.0000 0.0000 52035.7830 -109209.7338 299.0504 -161245.5168 -108845.7956 299.3437 9.8285 32.7773 762859.3590 -0.1370 -0.2614 LDB: ============= START OF LOAD BALANCING ============== 8452.95 LDB: ============== END OF LOAD BALANCING =============== 8452.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8452.95 LDB: ============= START OF LOAD BALANCING ============== 8453.26 LDB: Largest compute 7038 load 0.033924 is 17.4% of average load 0.195407 LDB: Average compute 0.004389 is 2.2% of average load 0.195407 LDB: TIME 8453.27 LOAD: AVG 0.195407 MAX 0.216546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 8453.27 LOAD: AVG 0.195407 MAX 0.216546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: TIME 8453.27 LOAD: AVG 0.195407 MAX 0.216546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: ============== END OF LOAD BALANCING =============== 8453.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8453.27 PRESSURE: 2648400 -120.094 94.0293 139.458 94.0299 149.038 -50.194 139.458 -50.1935 73.655 GPRESSURE: 2648400 -63.5048 98.3496 151.18 167.475 189.232 -10.4917 88.3128 -214.605 75.0381 PRESSAVG: 2648400 -23.7873 7.06078 66.0101 7.06073 44.091 -26.0497 66.0101 -26.0497 14.0583 GPRESSAVG: 2648400 -24.4402 5.77496 68.6652 9.40937 44.1554 -24.9907 62.9351 -26.4116 14.5395 TIMING: 2648400 CPU: 8441.14, 0.00319935/step Wall: 8441.14, 0.00319935/step, 2.08989 hours remaining, 240.472656 MB of memory in use. ENERGY: 2648400 3998.2526 20444.6112 14549.2879 252.8630 -203440.7813 2553.6016 0.0000 0.0000 52434.6259 -109207.5391 301.3425 -161642.1650 -108838.3609 299.6655 34.1998 66.9216 761001.3109 11.4540 11.4182 PRESSURE: 2648600 -31.3618 12.6771 47.9684 12.677 10.3413 98.5602 47.9695 98.5595 254.774 GPRESSURE: 2648600 19.1224 77.2232 35.9748 17.4736 24.2416 63.1881 -5.9811 -33.8732 279.254 PRESSAVG: 2648600 41.8923 -31.6241 31.9474 -31.6241 -51.1917 22.2178 31.9474 22.2178 -10.0919 GPRESSAVG: 2648600 42.9109 -31.5504 32.2014 -34.7697 -51.7757 21.7112 33.6811 21.1846 -10.2793 TIMING: 2648600 CPU: 8441.76, 0.0031108/step Wall: 8441.76, 0.0031108/step, 2.03187 hours remaining, 240.675781 MB of memory in use. ENERGY: 2648600 3954.3589 20558.1141 14506.7503 252.8105 -203140.4416 2489.6982 0.0000 0.0000 52070.8619 -109307.8478 299.2520 -161378.7096 -108951.2739 299.4154 77.9178 107.5394 762051.5000 -6.4638 -6.3814 PRESSURE: 2648800 485.09 -187.337 -173.882 -187.337 350.142 17.4153 -173.882 17.4143 470.629 GPRESSURE: 2648800 551.084 -104.163 -234.015 -166.703 343.585 -80.2775 -121.287 120.756 483.933 PRESSAVG: 2648800 -9.14188 -70.4124 -2.18733 -70.4124 18.9824 -19.1881 -2.18743 -19.1882 -4.90117 GPRESSAVG: 2648800 -10.9175 -70.2721 -2.2393 -70.1595 20.1015 -17.9627 -3.72661 -18.8792 -4.49724 TIMING: 2648800 CPU: 8442.38, 0.00309534/step Wall: 8442.38, 0.00309534/step, 2.0216 hours remaining, 240.675781 MB of memory in use. ENERGY: 2648800 4015.4574 20520.3576 14514.3857 221.8792 -204340.6506 3310.4538 0.0000 0.0000 52638.6602 -109119.4567 302.5151 -161758.1169 -108754.2774 299.7501 435.2869 459.5338 759397.5974 1.6464 1.5622 PRESSURE: 2649000 1.57113 -294.059 157.698 -294.059 -10.8846 80.1827 157.698 80.1823 128.082 GPRESSURE: 2649000 38.2361 -207.441 100.83 -264.988 75.0242 38.4048 114.253 122.603 98.9219 PRESSAVG: 2649000 36.3607 -51.3454 -18.687 -51.3454 -44.9317 -1.36031 -18.687 -1.36035 14.436 GPRESSAVG: 2649000 36.9316 -50.4783 -19.0603 -48.1042 -44.9061 -1.11441 -17.9721 -0.571538 13.5868 TIMING: 2649000 CPU: 8443.01, 0.00314308/step Wall: 8443.01, 0.00314308/step, 2.05261 hours remaining, 240.675781 MB of memory in use. ENERGY: 2649000 4015.2361 20555.2888 14526.5652 257.3955 -203321.4662 2737.8346 0.0000 0.0000 52215.5999 -109013.5461 300.0838 -161229.1460 -108644.0786 300.5967 39.5896 70.7274 761163.2616 1.9550 1.8708 PRESSURE: 2649200 -105.588 40.2045 -308.144 40.2057 52.4853 -110.412 -308.143 -110.413 -91.6823 GPRESSURE: 2649200 -67.7296 32.5767 -319.938 -41.7622 79.7863 -53.8838 -217.485 -30.9663 -57.3662 PRESSAVG: 2649200 56.1341 -36.9353 -1.87136 -36.9354 -50.2872 -0.995218 -1.87132 -0.995194 -17.2053 GPRESSAVG: 2649200 56.5456 -38.5418 -2.37324 -39.6495 -50.482 -3.16611 -0.271265 0.949713 -16.4579 TIMING: 2649200 CPU: 8443.63, 0.00313227/step Wall: 8443.63, 0.00313227/step, 2.04537 hours remaining, 240.675781 MB of memory in use. ENERGY: 2649200 3971.6242 20743.5499 14437.9666 242.4686 -203464.9748 2651.4464 0.0000 0.0000 52340.6092 -109077.3098 300.8022 -161417.9191 -108711.0858 300.7741 -48.2616 -15.1032 763483.9264 -3.7861 -3.4648 PRESSURE: 2649400 236.392 -400.49 69.0675 -400.489 48.4465 32.5687 69.0674 32.5698 351.443 GPRESSURE: 2649400 274.593 -360.976 41.4883 -428.728 101.987 -25.6126 68.7411 -42.7767 339.411 PRESSAVG: 2649400 30.084 -25.5787 -17.7096 -25.5787 -45.9308 4.99112 -17.7097 4.99115 15.92 GPRESSAVG: 2649400 31.0795 -24.3386 -16.0896 -25.2591 -45.3024 6.81657 -20.8964 4.02921 15.3033 TIMING: 2649400 CPU: 8444.26, 0.00310927/step Wall: 8444.26, 0.00310927/step, 2.03018 hours remaining, 240.675781 MB of memory in use. ENERGY: 2649400 3972.6485 20637.8041 14467.2219 242.3116 -203462.0167 2717.4777 0.0000 0.0000 52409.0731 -109015.4798 301.1957 -161424.5529 -108642.4854 300.5002 212.0938 238.6636 762826.3999 0.0244 0.3602 PRESSURE: 2649600 33.4751 -99.3043 85.0735 -99.3032 39.0426 104.706 85.0736 104.706 -221.168 GPRESSURE: 2649600 117.684 -24.8654 36.1459 -58.0257 -33.2892 43.367 38.9455 143.28 -142.346 PRESSAVG: 2649600 43.876 -53.1223 17.0097 -53.1222 -72.381 -24.4058 17.0098 -24.4059 -6.74988 GPRESSAVG: 2649600 44.8199 -53.1891 15.9447 -52.853 -72.3647 -26.7274 16.433 -25.1085 -6.82175 TIMING: 2649600 CPU: 8444.88, 0.00313785/step Wall: 8444.88, 0.00313784/step, 2.04866 hours remaining, 240.675781 MB of memory in use. ENERGY: 2649600 4070.4285 20515.1035 14534.9019 254.1628 -203149.2863 2408.0458 0.0000 0.0000 52306.8216 -109059.8222 300.6080 -161366.6438 -108697.8443 300.6692 -49.5501 -19.3171 761714.1700 -11.7516 -11.4555 PRESSURE: 2649800 52.7493 -154.107 -323.416 -154.107 -82.1913 23.7487 -323.416 23.7488 299.28 GPRESSURE: 2649800 105.501 -188.606 -266.113 -211.293 -41.5241 1.46744 -306.386 -12.6038 303.316 PRESSAVG: 2649800 26.2654 -50.3056 -52.9533 -50.3057 -35.8287 58.3735 -52.9532 58.3735 12.9267 GPRESSAVG: 2649800 24.3768 -51.4607 -52.0133 -48.9938 -34.769 60.1728 -49.9189 58.4653 13.3982 TIMING: 2649800 CPU: 8445.51, 0.00313055/step Wall: 8445.51, 0.00313055/step, 2.04373 hours remaining, 240.675781 MB of memory in use. ENERGY: 2649800 4048.9340 20635.4063 14546.9764 252.7731 -203735.7201 2898.1923 0.0000 0.0000 52494.6852 -108858.7528 301.6877 -161353.4380 -108492.1253 301.1148 89.9461 122.4309 760764.2081 1.1211 1.0020 PRESSURE: 2650000 449.1 206.655 171.263 206.655 -325.605 -79.2402 171.264 -79.2402 -119.765 GPRESSURE: 2650000 320.988 88.612 138.014 227.168 -203.17 -18.2169 145.577 -92.4165 -42.8478 PRESSAVG: 2650000 -22.5371 -82.9517 37.1609 -82.9517 7.76489 -7.70039 37.1609 -7.70033 29.3 GPRESSAVG: 2650000 -21.8423 -81.1601 37.0129 -84.4517 7.19427 -6.8316 34.8373 -7.19686 29.3827 TIMING: 2650000 CPU: 8446.14, 0.00315904/step Wall: 8446.14, 0.00315904/step, 2.06215 hours remaining, 240.675781 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: 2650000 4052.1034 20654.0811 14672.5059 268.4004 -203169.8189 2560.1022 0.0000 0.0000 52218.6720 -108743.9539 300.1014 -160962.6258 -108385.4601 301.3863 1.2433 24.9899 761819.2103 4.8426 4.9115 PRESSURE: 2650200 -113.616 -59.0386 142.977 -59.0392 -141.987 216.645 142.978 216.646 -45.7777 GPRESSURE: 2650200 -69.1455 -172.471 50.3786 -132.682 -66.9126 202.922 100.271 55.9644 -86.4601 PRESSAVG: 2650200 39.6071 -29.7779 35.1359 -29.7778 -32.5127 7.68769 35.1359 7.68778 -25.29 GPRESSAVG: 2650200 39.4417 -30.6274 33.7797 -27.542 -33.277 8.04647 36.0011 4.83093 -25.1264 TIMING: 2650200 CPU: 8446.77, 0.00314989/step Wall: 8446.77, 0.00314989/step, 2.056 hours remaining, 240.675781 MB of memory in use. ENERGY: 2650200 3959.1469 20530.8042 14562.8863 234.4857 -203161.9716 2395.2286 0.0000 0.0000 52377.5763 -109101.8436 301.0147 -161479.4199 -108736.7296 301.2772 -100.4602 -74.1727 760209.0603 -6.0652 -6.3206 PRESSURE: 2650400 1.84449 -84.6339 -12.2449 -84.634 -0.10176 38.7997 -12.2447 38.7996 -410.132 GPRESSURE: 2650400 22.0019 -160.658 42.6879 -85.1313 131.713 122.434 -79.272 70.6042 -480.123 PRESSAVG: 2650400 -24.4878 -19.815 11.21 -19.8149 5.08558 -4.49615 11.2101 -4.49618 13.2811 GPRESSAVG: 2650400 -25.2188 -19.4512 10.9058 -21.9309 5.96085 -5.63931 10.6838 -1.52712 13.2186 TIMING: 2650400 CPU: 8447.39, 0.003109/step Wall: 8447.39, 0.003109/step, 2.02914 hours remaining, 240.675781 MB of memory in use. ENERGY: 2650400 4047.4837 20637.1701 14487.6868 232.1776 -203338.0894 2522.1215 0.0000 0.0000 52407.7690 -109003.6807 301.1882 -161411.4498 -108640.0117 300.6031 -136.1298 -108.8026 761571.4080 -2.0404 -2.0131 PRESSURE: 2650600 -14.6269 -122.831 -28.3951 -122.83 -51.6168 -179.951 -28.3953 -179.952 -48.4557 GPRESSURE: 2650600 53.4439 -53.6561 82.4921 -68.3696 -50.5978 -24.6946 -19.7963 -206.938 -25.4334 PRESSAVG: 2650600 -44.9382 -9.15213 4.99661 -9.15215 9.86166 -41.9565 4.99659 -41.9565 10.5143 GPRESSAVG: 2650600 -44.7053 -9.25204 5.66172 -7.05351 9.57259 -42.0107 5.41101 -43.5553 10.309 TIMING: 2650600 CPU: 8448.02, 0.00312878/step Wall: 8448.02, 0.00312878/step, 2.04188 hours remaining, 240.675781 MB of memory in use. ENERGY: 2650600 4014.8999 20628.0021 14491.0856 246.7603 -203478.2129 2665.9609 0.0000 0.0000 52374.7383 -109056.7658 300.9983 -161431.5041 -108684.1319 300.8584 -38.2331 -7.5291 761008.3606 -8.1874 -8.2746 PRESSURE: 2650800 -7.48097 -9.62482 -77.5835 -9.62573 253.49 -55.6432 -77.5837 -55.6442 241.662 GPRESSURE: 2650800 -38.4317 -34.3739 -62.7294 -34.6744 436.672 -34.5257 -18.0776 46.053 189.73 PRESSAVG: 2650800 -37.6927 -60.327 38.2212 -60.327 13.1574 -2.11459 38.2212 -2.11466 21.3717 GPRESSAVG: 2650800 -38.9956 -60.1975 39.0958 -62.4895 13.9492 -1.60868 37.1249 -0.735898 21.7768 TIMING: 2650800 CPU: 8448.64, 0.00310924/step Wall: 8448.64, 0.00310924/step, 2.02895 hours remaining, 240.675781 MB of memory in use. ENERGY: 2650800 4042.5088 20446.9775 14497.6738 244.2814 -203316.3772 2835.6348 0.0000 0.0000 52242.6588 -109006.6421 300.2393 -161249.3010 -108654.2243 300.5405 162.5568 195.9901 760845.1411 -1.0545 -1.0899 PRESSURE: 2651000 79.4312 -103.758 -109.128 -103.758 -111.459 -95.7704 -109.128 -95.7711 -104.42 GPRESSURE: 2651000 86.0726 -6.97787 -120.893 -171.963 -30.0817 -80.8677 -171.802 -207.671 -116.963 PRESSAVG: 2651000 53.4007 -27.0422 46.4788 -27.0422 -43.5091 -18.2993 46.4787 -18.2993 -14.6106 GPRESSAVG: 2651000 54.7195 -27.4918 45.0836 -26.5895 -44.5112 -19.5738 47.9989 -18.5728 -15.0654 TIMING: 2651000 CPU: 8449.26, 0.00309667/step Wall: 8449.26, 0.00309667/step, 2.02058 hours remaining, 240.675781 MB of memory in use. ENERGY: 2651000 4029.3394 20508.5530 14505.4169 231.2459 -203269.4772 2634.5594 0.0000 0.0000 52324.7434 -109035.6192 300.7110 -161360.3626 -108670.4848 300.3048 -45.4825 -20.3240 761168.0739 -1.5730 -1.6191 PRESSURE: 2651200 -74.8875 95.9262 116.247 95.9256 -49.5952 -295.225 116.247 -295.225 -68.5847 GPRESSURE: 2651200 -46.0573 38.3019 173.508 90.5252 33.4609 -250.88 60.6917 -224.986 -88.2485 PRESSAVG: 2651200 59.0079 -10.3334 0.645891 -10.3334 -40.972 3.31104 0.645851 3.31109 1.30951 GPRESSAVG: 2651200 56.7934 -8.88047 1.4223 -11.9826 -39.7053 6.56317 -0.740406 2.33977 2.10095 TIMING: 2651200 CPU: 8449.88, 0.00310334/step Wall: 8449.88, 0.00310334/step, 2.02476 hours remaining, 240.675781 MB of memory in use. ENERGY: 2651200 4025.3956 20537.6834 14538.9471 246.7208 -202988.0157 2307.2629 0.0000 0.0000 52259.6068 -109072.3991 300.3367 -161332.0059 -108709.4259 299.9344 -64.3558 -33.6150 760801.9687 6.4485 6.3963 PRESSURE: 2651400 41.6056 -10.2097 121.238 -10.2094 -41.1906 -110.586 121.24 -110.587 -256.219 GPRESSURE: 2651400 30.4099 -0.20056 187.486 -118.261 30.2177 -135.163 184.758 -91.1253 -208.071 PRESSAVG: 2651400 3.85832 -41.5308 10.5618 -41.5308 62.1313 -46.266 10.5619 -46.266 -34.202 GPRESSAVG: 2651400 5.59796 -43.7904 10.12 -39.2956 60.9928 -49.1908 12.2788 -43.8073 -34.9073 TIMING: 2651400 CPU: 8450.51, 0.00313685/step Wall: 8450.51, 0.00313685/step, 2.04645 hours remaining, 240.675781 MB of memory in use. ENERGY: 2651400 4097.1202 20387.5122 14557.4786 260.6909 -202973.6485 2429.6613 0.0000 0.0000 52194.8083 -109046.3771 299.9643 -161241.1854 -108666.7708 300.2967 -85.2680 -49.1480 760381.9478 10.5959 10.5611 PRESSURE: 2651600 -125.133 -98.1538 78.2655 -98.1535 -226.883 219.633 78.2652 219.632 127.663 GPRESSURE: 2651600 -62.9323 -70.3896 105.611 16.031 -155.449 194.664 -40.2482 57.4583 90.8896 PRESSAVG: 2651600 2.78817 23.6818 -21.6543 23.6818 0.862389 -35.5449 -21.6543 -35.5449 20.79 GPRESSAVG: 2651600 1.47312 24.542 -21.3727 22.8923 2.16626 -35.2226 -21.3362 -37.6334 20.4329 TIMING: 2651600 CPU: 8451.13, 0.00312819/step Wall: 8451.13, 0.00312819/step, 2.04062 hours remaining, 240.675781 MB of memory in use. ENERGY: 2651600 3934.3543 20708.9576 14611.0490 221.7157 -203188.8799 2459.6083 0.0000 0.0000 52099.3940 -109153.8009 299.4159 -161253.1950 -108795.7861 300.1065 -74.7842 -42.4972 761311.9654 8.1468 8.0241 PRESSURE: 2651800 -97.0375 19.6096 -8.23374 19.6094 -99.9008 -282.35 -8.23327 -282.349 115.074 GPRESSURE: 2651800 -27.0387 37.1118 2.89024 31.5595 -75.5969 -261.904 -74.6594 -273.999 113.809 PRESSAVG: 2651800 41.4914 -6.99801 0.724369 -6.998 -26.4018 22.975 0.72441 22.975 9.00111 GPRESSAVG: 2651800 42.6247 -7.23047 0.486763 -6.32672 -27.814 23.0148 0.745684 22.6335 9.63008 TIMING: 2651800 CPU: 8451.76, 0.00312685/step Wall: 8451.76, 0.00312685/step, 2.03958 hours remaining, 240.675781 MB of memory in use. ENERGY: 2651800 4027.5762 20501.5644 14568.3204 226.8164 -203214.3085 2486.0750 0.0000 0.0000 52132.5505 -109271.4056 299.6065 -161403.9562 -108902.9081 300.0339 -27.2881 3.7243 760177.6456 8.0302 8.1469 PRESSURE: 2652000 155.365 75.807 39.8788 75.8078 -361.721 104.379 39.8785 104.381 312.011 GPRESSURE: 2652000 197.761 30.1215 -43.522 -18.752 -267.117 236.163 4.48711 146.334 262.799 PRESSAVG: 2652000 -21.3515 29.7758 30.5925 29.7758 8.71396 15.7931 30.5925 15.7931 -30.8065 GPRESSAVG: 2652000 -20.9296 30.6686 32.0809 29.3721 8.65578 17.269 28.3302 16.3771 -31.6037 TIMING: 2652000 CPU: 8452.39, 0.00313526/step Wall: 8452.39, 0.00313526/step, 2.04489 hours remaining, 240.675781 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: 2652000 4003.8428 20302.5704 14442.0402 239.5705 -202858.8242 2319.2805 0.0000 0.0000 52256.9723 -109294.5476 300.3215 -161551.5199 -108921.5801 299.5363 35.2182 64.4811 761389.7861 -14.4813 -14.6258 PRESSURE: 2652200 1.77516 189.906 -27.8826 189.905 -321.462 -125.226 -27.8826 -125.227 40.2404 GPRESSURE: 2652200 -21.1067 88.9535 24.5732 172.02 -178.748 -87.0567 -88.0492 -130.926 -14.2956 PRESSAVG: 2652200 39.5723 11.554 2.9701 11.5539 -4.23278 -14.1798 2.97011 -14.1798 8.43397 GPRESSAVG: 2652200 38.5031 11.9128 1.92753 9.07294 -3.6394 -14.5241 3.20221 -12.641 8.84105 TIMING: 2652200 CPU: 8453.01, 0.00311882/step Wall: 8453.01, 0.00311882/step, 2.03399 hours remaining, 240.675781 MB of memory in use. ENERGY: 2652200 3922.3420 20551.7173 14527.2769 242.1179 -203193.1899 2242.1926 0.0000 0.0000 52323.5268 -109384.0163 300.7040 -161707.5432 -109015.5297 299.8188 -93.1489 -71.3833 761109.5829 14.5912 14.5682 LDB: ============= START OF LOAD BALANCING ============== 8465.46 LDB: ============== END OF LOAD BALANCING =============== 8465.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8465.46 LDB: ============= START OF LOAD BALANCING ============== 8465.77 LDB: Largest compute 7038 load 0.033882 is 17.3% of average load 0.195343 LDB: Average compute 0.004414 is 2.3% of average load 0.195343 LDB: TIME 8465.78 LOAD: AVG 0.195343 MAX 0.213266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 8465.78 LOAD: AVG 0.195343 MAX 0.213266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.672 MB LDB: TIME 8465.78 LOAD: AVG 0.195343 MAX 0.213266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.672 MB LDB: ============== END OF LOAD BALANCING =============== 8465.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8465.78 PRESSURE: 2652400 275.896 -149.053 99.0465 -149.053 -399.526 -151.253 99.0471 -151.251 111.951 GPRESSURE: 2652400 240.723 9.13049 88.2437 -75.8435 -229.954 -123.03 178.625 -60.8632 79.1315 PRESSAVG: 2652400 21.8711 8.42366 10.1105 8.42358 -0.0413145 -37.6473 10.1105 -37.6473 -7.58138 GPRESSAVG: 2652400 20.5169 9.6453 9.74483 9.08415 0.825986 -37.1563 11.2929 -39.9846 -7.3725 TIMING: 2652400 CPU: 8453.65, 0.00318621/step Wall: 8453.65, 0.00318621/step, 2.07776 hours remaining, 242.863281 MB of memory in use. ENERGY: 2652400 3933.1948 20544.0002 14454.7645 253.1672 -203084.7057 2420.1711 0.0000 0.0000 52068.6281 -109410.7799 299.2391 -161479.4080 -109054.7214 299.5825 -3.8930 29.9667 760561.8843 4.7495 4.6568 PRESSURE: 2652600 -191.441 64.6072 3.63143 64.6088 -291.509 89.3774 3.63113 89.3776 -174.574 GPRESSURE: 2652600 -47.7427 99.7265 93.0041 100.409 -327.502 80.9534 1.1137 58.5125 -170.291 PRESSAVG: 2652600 40.3394 26.4155 2.14399 26.4155 -52.275 -12.2508 2.144 -12.2508 2.51602 GPRESSAVG: 2652600 42.1107 24.1495 2.38232 28.4735 -52.9204 -13.9657 2.61329 -12.4546 1.84288 TIMING: 2652600 CPU: 8454.27, 0.00312679/step Wall: 8454.27, 0.00312679/step, 2.03884 hours remaining, 243.066406 MB of memory in use. ENERGY: 2652600 4018.3196 20488.1518 14513.9582 265.9160 -203338.9245 2429.4759 0.0000 0.0000 52065.3578 -109557.7452 299.2203 -161623.1030 -109189.0984 299.3120 -219.1747 -181.8453 759935.9281 -3.1398 -2.9889 PRESSURE: 2652800 382.672 -60.3206 122.441 -60.3203 55.1319 109.829 122.44 109.829 -321.291 GPRESSURE: 2652800 300.444 -3.13785 140.226 -84.3658 90.9755 135.347 100.933 -115.703 -191.904 PRESSAVG: 2652800 3.16551 -24.0907 -10.5519 -24.0907 -47.7756 -75.673 -10.5519 -75.673 -7.93604 GPRESSAVG: 2652800 3.54317 -22.7455 -10.4958 -25.4005 -47.8612 -73.8268 -11.3126 -75.3005 -8.76555 TIMING: 2652800 CPU: 8454.9, 0.00313996/step Wall: 8454.9, 0.00313996/step, 2.04726 hours remaining, 243.066406 MB of memory in use. ENERGY: 2652800 4010.9208 20465.7495 14466.4651 233.8291 -203673.7996 3020.7418 0.0000 0.0000 52039.4070 -109436.6863 299.0712 -161476.0933 -109073.4408 299.4286 38.8376 66.5052 761836.2913 -17.5154 -17.6945 PRESSURE: 2653000 11.3419 -46.9872 -13.1218 -46.9866 -37.2367 142.292 -13.1224 142.292 -56.1687 GPRESSURE: 2653000 -2.10983 19.1833 -26.8731 -1.59417 -37.6809 46.2618 -33.5775 205.561 34.4602 PRESSAVG: 2653000 31.9847 12.1413 -11.0117 12.1413 -10.2521 -43.0354 -11.0117 -43.0354 -14.5066 GPRESSAVG: 2653000 30.9083 10.7775 -11.3159 13.4354 -10.6567 -44.0555 -10.7128 -40.494 -12.8522 TIMING: 2653000 CPU: 8455.53, 0.00312688/step Wall: 8455.53, 0.00312688/step, 2.03855 hours remaining, 243.066406 MB of memory in use. ENERGY: 2653000 3969.3600 20514.7624 14562.0792 259.7757 -203306.1169 2611.6682 0.0000 0.0000 51879.7077 -109508.7637 298.1534 -161388.4714 -109147.8975 299.3247 -27.3545 -1.7768 760725.2162 2.4087 2.4665 PRESSURE: 2653200 159.943 -199.015 -164.339 -199.015 -201.208 259.738 -164.339 259.738 -136.203 GPRESSURE: 2653200 151.276 -174.823 -199.382 -132.191 -160.86 205.779 -98.4346 273.024 -89.5514 PRESSAVG: 2653200 7.3019 -35.0804 25.5367 -35.0804 -34.6116 -45.833 25.5367 -45.833 -21.7152 GPRESSAVG: 2653200 6.9402 -32.8992 25.463 -36.246 -33.4062 -45.0948 26.3016 -48.0753 -22.5371 TIMING: 2653200 CPU: 8456.15, 0.00311894/step Wall: 8456.15, 0.00311894/step, 2.0332 hours remaining, 243.066406 MB of memory in use. ENERGY: 2653200 4028.8077 20387.3920 14617.7552 253.6439 -203747.3328 2984.6131 0.0000 0.0000 51898.4781 -109576.6428 298.2613 -161475.1209 -109209.7441 298.7483 -59.1561 -33.0453 762265.5423 -16.3417 -16.3344 PRESSURE: 2653400 -284.359 -56.21 -154.42 -56.2098 105.109 13.2022 -154.421 13.2024 86.4067 GPRESSURE: 2653400 -176.132 9.99761 -112.527 -32.4975 137.279 82.5521 -99.7708 6.89342 35.8483 PRESSAVG: 2653400 1.68566 -5.58629 -76.7795 -5.58625 28.4352 -0.716751 -76.7796 -0.71674 -14.319 GPRESSAVG: 2653400 1.27073 -7.60054 -76.9851 -5.14343 27.539 -0.424642 -78.0702 1.38613 -13.4719 TIMING: 2653400 CPU: 8456.78, 0.00315757/step Wall: 8456.78, 0.00315757/step, 2.05821 hours remaining, 243.066406 MB of memory in use. ENERGY: 2653400 3876.5816 20499.1090 14568.1030 229.2716 -202983.8735 2322.5193 0.0000 0.0000 51900.3334 -109587.9557 298.2719 -161488.2891 -109217.7303 299.2410 -30.9477 -1.0016 761835.0097 5.2673 5.1126 PRESSURE: 2653600 18.2882 -194.313 87.6598 -194.312 -301.074 237.396 87.6599 237.396 149.501 GPRESSURE: 2653600 15.4198 -178.244 107.386 -112.567 -275.96 256.9 -10.9377 116.119 223.23 PRESSAVG: 2653600 65.8092 -33.8074 18.6626 -33.8074 -27.9237 23.9576 18.6626 23.9577 -10.7476 GPRESSAVG: 2653600 66.3459 -32.1381 18.0156 -34.6559 -28.3058 23.4655 19.1467 21.5551 -10.7033 TIMING: 2653600 CPU: 8457.42, 0.00319761/step Wall: 8457.42, 0.00319761/step, 2.08413 hours remaining, 243.066406 MB of memory in use. ENERGY: 2653600 4033.3742 20446.3705 14584.3328 229.8324 -203811.7601 2800.9410 0.0000 0.0000 52081.0702 -109635.8389 299.3106 -161716.9091 -109268.3797 298.9574 -44.4281 -12.4366 760637.9403 9.0460 9.1122 PRESSURE: 2653800 23.6207 -28.8356 39.6462 -28.836 -127.915 -288.606 39.6462 -288.607 208.257 GPRESSURE: 2653800 68.3481 44.6462 -85.2624 -0.678822 -93.6489 -258.534 -14.3661 -245.166 207.645 PRESSAVG: 2653800 46.1934 -111.477 -15.2657 -111.477 -86.7419 5.88839 -15.2657 5.88845 27.5115 GPRESSAVG: 2653800 47.2575 -112.322 -13.6265 -109.583 -86.8729 6.17842 -14.8905 7.84187 26.5837 TIMING: 2653800 CPU: 8458.05, 0.00316745/step Wall: 8458.05, 0.00316745/step, 2.0643 hours remaining, 243.066406 MB of memory in use. ENERGY: 2653800 3910.5860 20409.7871 14499.7928 256.0549 -204165.3878 3227.0851 0.0000 0.0000 52191.2203 -109670.8616 299.9437 -161862.0819 -109304.6065 298.6078 34.6543 60.7814 761634.3038 -4.3457 -4.3439 PRESSURE: 2654000 78.1626 -17.94 -138.248 -17.941 214.636 333.774 -138.249 333.774 199.91 GPRESSURE: 2654000 167.474 -60.9857 -171.578 68.8825 197.28 381.912 -173.739 269.243 215.029 PRESSAVG: 2654000 7.95898 -45.1193 -28.4262 -45.1193 1.54238 24.6338 -28.4262 24.6337 -14.2825 GPRESSAVG: 2654000 7.30805 -44.6823 -29.1819 -44.9609 1.61724 24.6043 -27.3859 24.4167 -13.7376 TIMING: 2654000 CPU: 8458.68, 0.00314646/step Wall: 8458.68, 0.00314646/step, 2.05044 hours remaining, 243.066406 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: 2654000 3987.0623 20453.7239 14475.8643 261.1129 -202839.6056 2247.0690 0.0000 0.0000 51763.3758 -109651.3974 297.4848 -161414.7732 -109284.7289 299.1003 164.2363 193.2610 761177.9067 -1.5937 -1.6041 PRESSURE: 2654200 -30.0999 -70.5226 180.879 -70.5232 -294.297 251.087 180.879 251.087 266.59 GPRESSURE: 2654200 -58.1202 -96.4 177.637 -127.14 -164.644 232.211 158.663 155.269 250.639 PRESSAVG: 2654200 -23.0804 8.96064 12.3097 8.96063 17.9674 58.7806 12.3097 58.7806 -5.11315 GPRESSAVG: 2654200 -23.2839 8.25634 13.1786 7.6104 18.9556 58.5025 13.0133 56.6924 -5.91137 TIMING: 2654200 CPU: 8459.32, 0.00318351/step Wall: 8459.32, 0.00318351/step, 2.07441 hours remaining, 243.066406 MB of memory in use. ENERGY: 2654200 3876.5478 20576.9270 14573.3225 258.8871 -203428.4594 2629.9815 0.0000 0.0000 51875.1585 -109637.6351 298.1272 -161512.7935 -109274.7337 298.6956 -19.2688 9.2915 761800.8503 -3.4087 -3.4132 PRESSURE: 2654400 186.078 19.4546 -6.58423 19.454 -245.276 -97.2074 -6.58381 -97.2074 420.226 GPRESSURE: 2654400 125.817 -10.306 -140.152 -64.2998 -165.93 -152.507 46.9753 -80.7314 482.355 PRESSAVG: 2654400 -4.64579 -15.5232 -4.55003 -15.5231 -18.6555 41.6422 -4.55006 41.6422 33.674 GPRESSAVG: 2654400 -5.23402 -14.7037 -3.62544 -17.7166 -18.4801 40.683 -6.41291 40.7604 34.1475 TIMING: 2654400 CPU: 8459.95, 0.00313269/step Wall: 8459.95, 0.00313269/step, 2.04112 hours remaining, 243.066406 MB of memory in use. ENERGY: 2654400 3953.2695 20568.3594 14482.3777 231.0771 -203547.6215 2713.7383 0.0000 0.0000 51972.2851 -109626.5144 298.6854 -161598.7995 -109273.7557 298.9590 120.3426 147.4144 761364.7621 3.4576 3.4778 PRESSURE: 2654600 22.5344 15.9601 -165.361 15.9596 -299.526 53.4501 -165.361 53.4511 -75.7172 GPRESSURE: 2654600 49.0825 175.829 -139.853 4.37528 -342.947 134.18 -201.506 -19.9291 13.8317 PRESSAVG: 2654600 15.5111 -6.33181 -27.3888 -6.33187 -58.2821 -6.37253 -27.3888 -6.37253 29.6862 GPRESSAVG: 2654600 16.3803 -7.13043 -27.8621 -5.6549 -59.5586 -6.77546 -28.9518 -2.47081 29.8598 TIMING: 2654600 CPU: 8460.57, 0.00313872/step Wall: 8460.57, 0.00313872/step, 2.04488 hours remaining, 243.066406 MB of memory in use. ENERGY: 2654600 3955.7075 20469.8324 14531.2361 255.0757 -203408.2966 2504.4049 0.0000 0.0000 51957.3328 -109734.7072 298.5995 -161692.0400 -109372.2161 298.6207 -117.5697 -93.3442 760528.0954 -4.3616 -4.4395 PRESSURE: 2654800 142.999 -58.1656 3.4354 -58.1662 146.732 81.6392 3.43591 81.6383 388.241 GPRESSURE: 2654800 230.008 -76.4464 51.8613 -195.572 168.271 -34.9652 106.786 66.6114 355.493 PRESSAVG: 2654800 27.712 -12.7924 -6.80246 -12.7924 -36.8408 5.32338 -6.80251 5.32333 6.25908 GPRESSAVG: 2654800 28.0315 -12.8323 -7.26684 -11.8899 -37.1959 4.2823 -6.14128 4.75101 6.22996 TIMING: 2654800 CPU: 8461.2, 0.0031341/step Wall: 8461.2, 0.0031341/step, 2.04169 hours remaining, 243.066406 MB of memory in use. ENERGY: 2654800 3960.4054 20551.4481 14475.4366 245.1160 -203416.0886 2688.1842 0.0000 0.0000 51887.2986 -109608.1997 298.1970 -161495.4983 -109244.1087 298.7225 225.9906 251.2574 760344.6557 -0.9566 -0.9781 PRESSURE: 2655000 -75.9837 74.1088 -90.5025 74.1092 189 190.608 -90.502 190.608 -269.803 GPRESSURE: 2655000 -115.274 140.128 -8.58397 -57.8992 231.423 89.1957 -76.5121 267.469 -205.392 PRESSAVG: 2655000 11.0482 7.87788 3.43548 7.87792 5.41132 0.795043 3.43552 0.795025 6.28722 GPRESSAVG: 2655000 11.2497 10.7459 3.86278 8.04041 5.65949 3.25091 2.40273 -1.23585 5.78337 TIMING: 2655000 CPU: 8461.83, 0.00313385/step Wall: 8461.83, 0.00313385/step, 2.04136 hours remaining, 243.066406 MB of memory in use. ENERGY: 2655000 4013.1137 20572.6236 14518.1999 226.2647 -203349.4377 2663.2348 0.0000 0.0000 51907.6596 -109448.3413 298.3140 -161356.0009 -109100.4189 298.7007 -52.2622 -29.7476 760117.9706 7.5822 7.5642 PRESSURE: 2655200 90.1613 -74.9404 37.7172 -74.9403 -150.426 -147.25 37.7176 -147.249 198.428 GPRESSURE: 2655200 146.272 -82.2798 2.76546 106.547 -104.709 -95.7375 23.4027 -168.636 182.653 PRESSAVG: 2655200 -11.5343 -10.3392 37.6472 -10.3392 -8.75504 6.70481 37.6472 6.70477 22.0438 GPRESSAVG: 2655200 -11.7428 -12.1558 36.6699 -8.45907 -7.78792 6.37048 40.4634 8.37265 21.38 TIMING: 2655200 CPU: 8462.46, 0.00313282/step Wall: 8462.46, 0.00313282/step, 2.04051 hours remaining, 243.066406 MB of memory in use. ENERGY: 2655200 3998.1104 20686.8934 14497.1902 245.9596 -203271.8991 2445.2365 0.0000 0.0000 52032.8634 -109365.6455 299.0336 -161398.5089 -109018.7898 299.5400 46.0543 74.7388 758545.0335 0.5848 0.6164 PRESSURE: 2655400 -161.449 -98.2882 69.7319 -98.2869 85.2842 60.7035 69.7319 60.7046 220.319 GPRESSURE: 2655400 -141.424 -212.491 120.462 -62.8267 150.394 47.9364 -73.0001 24.3337 210.079 PRESSAVG: 2655400 24.2483 -22.5715 1.61531 -22.5715 -13.2567 26.5209 1.61529 26.5209 14.1537 GPRESSAVG: 2655400 25.4355 -23.8488 2.99094 -23.5115 -13.4854 25.5909 0.175497 26.7777 13.9006 TIMING: 2655400 CPU: 8463.09, 0.00315369/step Wall: 8463.09, 0.00315369/step, 2.05393 hours remaining, 243.066406 MB of memory in use. ENERGY: 2655400 4001.2943 20459.5384 14511.6903 263.7524 -203464.3095 2640.2029 0.0000 0.0000 52142.9569 -109444.8742 299.6663 -161587.8311 -109081.1716 299.4741 48.0514 73.0167 760482.8731 8.3818 8.6169 PRESSURE: 2655600 99.9525 -92.7255 55.0715 -92.7249 46.3821 342.721 55.072 342.721 452.496 GPRESSURE: 2655600 105.239 -59.2808 133.123 -139.165 195.419 308.625 8.50052 352.037 390.57 PRESSAVG: 2655600 7.43557 -15.1384 0.742758 -15.1385 -11.9428 6.35795 0.742648 6.35805 0.687941 GPRESSAVG: 2655600 5.05643 -15.0369 0.425489 -15.2235 -11.8812 9.45726 2.81481 5.28377 2.61943 TIMING: 2655600 CPU: 8463.71, 0.00312542/step Wall: 8463.71, 0.00312542/step, 2.03534 hours remaining, 243.066406 MB of memory in use. ENERGY: 2655600 3920.7755 20429.3196 14479.0810 249.1115 -203226.2162 2697.7218 0.0000 0.0000 52088.2254 -109361.9814 299.3517 -161450.2068 -109002.1164 299.4310 199.6102 230.4093 761891.8005 -1.2731 -1.4018 PRESSURE: 2655800 141.909 -10.0622 6.86079 -10.062 349.314 -69.6178 6.86124 -69.6172 168.698 GPRESSURE: 2655800 202.195 -28.9943 19.5938 28.2593 394.581 -88.6831 -41.7904 -124.297 159.175 PRESSAVG: 2655800 53.0424 -44.8569 -35.112 -44.8569 -20.1319 45.5232 -35.112 45.5232 -13.5037 GPRESSAVG: 2655800 54.0317 -45.3957 -36.6329 -42.7748 -19.5325 45.377 -36.1166 44.8711 -14.6023 TIMING: 2655800 CPU: 8464.33, 0.00311084/step Wall: 8464.33, 0.00311084/step, 2.02568 hours remaining, 243.066406 MB of memory in use. ENERGY: 2655800 3954.1604 20525.7114 14526.6680 241.3732 -203560.9135 2820.6109 0.0000 0.0000 52280.0197 -109212.3698 300.4540 -161492.3895 -108851.5256 299.5301 219.9735 251.9835 759445.6713 6.4689 6.6323 PRESSURE: 2656000 -25.9689 34.8401 -86.6133 34.8399 -142.936 -24.6084 -86.6129 -24.6086 -399.558 GPRESSURE: 2656000 34.0104 -23.8764 -63.0307 29.0506 -151.224 -81.3786 6.13125 -149.843 -354.002 PRESSAVG: 2656000 -25.4016 -50.9458 -47.2524 -50.9458 6.27396 -37.428 -47.2525 -37.4279 -0.512287 GPRESSAVG: 2656000 -24.27 -52.0228 -46.3563 -51.3009 4.6886 -38.4089 -46.7467 -35.0428 -0.327509 TIMING: 2656000 CPU: 8464.96, 0.00312816/step Wall: 8464.96, 0.00312816/step, 2.03678 hours remaining, 243.066406 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: 2656000 4053.7963 20514.6432 14532.9551 263.8831 -203712.0411 2798.3206 0.0000 0.0000 52198.3813 -109350.0617 299.9848 -161548.4430 -108998.5229 299.5405 -189.4878 -157.0720 761796.5916 -6.5466 -6.6363 PRESSURE: 2656200 197.726 -200.275 -42.7745 -200.275 -357.164 66.3807 -42.7737 66.379 -569.665 GPRESSURE: 2656200 140.16 -364.294 -32.2268 -191.068 -286.973 26.408 -127.387 168.109 -509.005 PRESSAVG: 2656200 1.35973 -20.3987 -7.81997 -20.3987 -5.28738 -4.07401 -7.81993 -4.07402 10.2733 GPRESSAVG: 2656200 -0.0207888 -18.9364 -7.33919 -22.6802 -3.76857 -4.64923 -8.80121 -6.56005 10.2056 TIMING: 2656200 CPU: 8465.59, 0.00315118/step Wall: 8465.59, 0.00315118/step, 2.05159 hours remaining, 243.066406 MB of memory in use. ENERGY: 2656200 4032.7894 20695.3753 14604.5350 260.2032 -203289.1915 2492.9476 0.0000 0.0000 51857.7413 -109345.5997 298.0272 -161203.3410 -108988.7218 299.5690 -243.0342 -218.6060 761388.3711 2.1152 2.1387 LDB: ============= START OF LOAD BALANCING ============== 8478.04 LDB: ============== END OF LOAD BALANCING =============== 8478.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8478.04 LDB: ============= START OF LOAD BALANCING ============== 8478.36 LDB: Largest compute 7070 load 0.035017 is 17.9% of average load 0.195327 LDB: Average compute 0.004383 is 2.2% of average load 0.195327 LDB: TIME 8478.36 LOAD: AVG 0.195327 MAX 0.215346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 8478.36 LOAD: AVG 0.195327 MAX 0.215346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: TIME 8478.36 LOAD: AVG 0.195327 MAX 0.215346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: ============== END OF LOAD BALANCING =============== 8478.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8478.37 PRESSURE: 2656400 -27.8006 -120.812 297.218 -120.811 -163.254 -79.9049 297.218 -79.9043 -90.657 GPRESSURE: 2656400 16.9498 -88.7222 255.481 -130.948 -183.531 -19.6379 272.064 -73.2376 -3.72567 PRESSAVG: 2656400 18.238 1.76782 -23.013 1.7679 -26.8983 26.8128 -23.013 26.8128 -4.74565 GPRESSAVG: 2656400 19.7194 1.91771 -22.5946 3.16482 -28.525 27.2999 -22.7356 28.7897 -4.10962 TIMING: 2656400 CPU: 8466.24, 0.00323436/step Wall: 8466.24, 0.00323436/step, 2.10557 hours remaining, 240.550781 MB of memory in use. ENERGY: 2656400 3972.6892 20716.6994 14566.2773 242.5604 -203574.1491 2721.3551 0.0000 0.0000 51957.8102 -109396.7574 298.6022 -161354.5676 -109042.8143 300.1177 -93.9037 -56.7688 760521.6302 -4.4686 -4.3051 PRESSURE: 2656600 -3.90243 59.0739 157.473 59.074 -108.776 176.192 157.473 176.192 -199.907 GPRESSURE: 2656600 -17.7091 81.9592 88.0722 21.6168 -92.8627 207.206 173.359 161.12 -106.266 PRESSAVG: 2656600 71.4255 -54.28 59.7898 -54.28 -54.2415 -4.05721 59.7898 -4.05725 0.599213 GPRESSAVG: 2656600 72.115 -53.5297 60.849 -54.9263 -54.3702 -3.7163 61.9416 -5.00364 0.177352 TIMING: 2656600 CPU: 8466.87, 0.00316248/step Wall: 8466.87, 0.00316248/step, 2.0586 hours remaining, 240.753906 MB of memory in use. ENERGY: 2656600 4024.7553 20420.7640 14557.9662 258.9026 -203828.4937 2751.3218 0.0000 0.0000 52236.3198 -109578.4639 300.2028 -161814.7837 -109215.3508 299.8620 -104.1951 -72.2792 759880.3220 5.9277 5.9741 PRESSURE: 2656800 -185.88 -14.2764 -426.775 -14.2763 -96.5098 110.784 -426.775 110.784 -44.7096 GPRESSURE: 2656800 -152.152 -157.635 -443.955 -21.1071 -23.7498 164.59 -305.331 11.3843 -64.1637 PRESSAVG: 2656800 32.6025 -99.4224 -35.0535 -99.4224 12.338 -3.33536 -35.0536 -3.33529 -2.08591 GPRESSAVG: 2656800 31.6694 -100.748 -36.3293 -99.54 12.7415 -3.48315 -36.7912 -4.12675 -1.46298 TIMING: 2656800 CPU: 8467.5, 0.0031539/step Wall: 8467.5, 0.0031539/step, 2.05284 hours remaining, 240.753906 MB of memory in use. ENERGY: 2656800 4017.9298 20502.6766 14492.6779 254.6852 -203864.2735 2675.6176 0.0000 0.0000 52308.4975 -109612.1888 300.6177 -161920.6863 -109239.2183 299.5845 -109.0333 -80.0219 762509.3988 14.2849 14.3160 PRESSURE: 2657000 243.378 55.3409 52.9058 55.3412 85.8873 -78.3976 52.9054 -78.3982 73.0587 GPRESSURE: 2657000 213.626 26.2321 -33.0067 169.11 119.146 -117.269 -7.11087 -9.61421 160.89 PRESSAVG: 2657000 -15.6864 -20.5898 1.42491 -20.5898 24.9622 -42.4114 1.42491 -42.4114 3.37662 GPRESSAVG: 2657000 -16.3565 -19.4521 0.0268138 -21.7034 25.3671 -43.7177 1.8077 -41.3578 4.35966 TIMING: 2657000 CPU: 8468.12, 0.00312964/step Wall: 8468.12, 0.00312964/step, 2.03687 hours remaining, 240.753906 MB of memory in use. ENERGY: 2657000 3941.7193 20656.6909 14552.4227 253.0716 -203826.7566 2953.1900 0.0000 0.0000 51999.7690 -109469.8932 298.8434 -161469.6621 -109108.3248 299.2988 134.1081 164.5537 760117.2963 4.2175 4.4567 PRESSURE: 2657200 56.8799 -90.2743 -13.8774 -90.2753 -144.988 -133.512 -13.877 -133.513 12.7259 GPRESSURE: 2657200 80.7541 -90.8505 -70.2859 -213.57 -8.84365 -175.692 16.1986 -143.185 -47.7906 PRESSAVG: 2657200 11.0898 -66.0554 1.08096 -66.0554 -39.4375 -3.07473 1.0809 -3.07465 28.7683 GPRESSAVG: 2657200 11.3553 -65.9578 2.25967 -66.1916 -38.7245 -3.23544 1.76237 -1.8052 27.7674 TIMING: 2657200 CPU: 8468.75, 0.00314555/step Wall: 8468.75, 0.00314555/step, 2.04706 hours remaining, 240.753906 MB of memory in use. ENERGY: 2657200 3971.8236 20650.2735 14500.0137 240.9305 -203362.8995 2487.0131 0.0000 0.0000 52209.7341 -109303.1110 300.0501 -161512.8451 -108937.6696 299.8648 -25.1275 8.0399 761497.8122 0.1402 0.1327 PRESSURE: 2657400 -262.377 -108.521 138.551 -108.52 86.2716 55.2319 138.551 55.2318 465.208 GPRESSURE: 2657400 -269.571 -104.361 123.989 -120.238 122.963 12.4979 100.996 129.37 533.889 PRESSAVG: 2657400 -12.3528 -37.5893 -8.98028 -37.5893 10.6885 28.8808 -8.98026 28.8808 12.2554 GPRESSAVG: 2657400 -12.3471 -37.7792 -7.4255 -37.8085 9.66048 30.4593 -12.724 27.6917 13.0417 TIMING: 2657400 CPU: 8469.38, 0.00315025/step Wall: 8469.38, 0.00315025/step, 2.04994 hours remaining, 240.753906 MB of memory in use. ENERGY: 2657400 4047.6262 20520.9968 14566.3522 247.1729 -203445.9637 2506.4969 0.0000 0.0000 52245.6931 -109311.6255 300.2567 -161557.3187 -108951.6753 299.7847 96.3677 129.0936 760948.0801 3.5304 3.4517 PRESSURE: 2657600 223.712 27.756 -39.8434 27.7563 -21.2964 -167.932 -39.844 -167.931 -219.106 GPRESSURE: 2657600 233.713 -111.361 -72.3869 9.2435 44.173 -103.852 -32.9042 -229.06 -207.291 PRESSAVG: 2657600 -5.95849 -114.732 18.8719 -114.732 -24.4612 30.1055 18.872 30.1055 4.81861 GPRESSAVG: 2657600 -5.49073 -117.227 18.2026 -114.312 -23.8907 30.5941 21.3398 28.1454 4.07506 TIMING: 2657600 CPU: 8470.01, 0.00314439/step Wall: 8470.01, 0.00314439/step, 2.04595 hours remaining, 240.753906 MB of memory in use. ENERGY: 2657600 4077.2512 20465.8809 14499.2009 244.8802 -203324.5822 2590.7470 0.0000 0.0000 52162.7651 -109283.8568 299.7801 -161446.6219 -108914.1863 299.6482 -5.5633 23.5317 762699.5424 -8.5337 -8.4354 PRESSURE: 2657800 -258.73 -181.992 -56.0116 -181.992 79.3501 -197.511 -56.0121 -197.511 158.646 GPRESSURE: 2657800 -205.441 -112.31 -48.0627 -114.047 111.772 -173.848 -95.2707 -28.2633 169.311 PRESSAVG: 2657800 4.07819 -72.3261 -4.12405 -72.3261 -1.6391 -13.3521 -4.1241 -13.352 -8.06682 GPRESSAVG: 2657800 4.40634 -69.1435 -4.96317 -73.0822 -1.84796 -15.2165 -3.51609 -11.5756 -8.40472 TIMING: 2657800 CPU: 8470.64, 0.00312983/step Wall: 8470.64, 0.00312983/step, 2.0363 hours remaining, 240.753906 MB of memory in use. ENERGY: 2657800 3950.2963 20586.0242 14551.5392 254.4240 -203284.7196 2486.8268 0.0000 0.0000 52049.2136 -109406.3954 299.1275 -161455.6090 -109040.6193 299.8012 -6.9116 25.2141 761497.7150 -1.8759 -1.9488 PRESSURE: 2658000 69.18 -474.728 -12.4446 -474.728 163.428 55.8192 -12.4445 55.8195 -64.2754 GPRESSURE: 2658000 181.892 -385.94 59.0887 -516.093 161.772 29.7518 67.8609 158.325 -93.037 PRESSAVG: 2658000 -23.9867 -58.8778 -9.69217 -58.8779 23.8831 12.0951 -9.69211 12.0951 -5.81028 GPRESSAVG: 2658000 -23.2509 -59.8334 -8.04115 -58.7416 24.1599 12.8729 -10.9829 13.2746 -6.40016 TIMING: 2658000 CPU: 8471.26, 0.00310914/step Wall: 8471.26, 0.00310914/step, 2.02267 hours remaining, 240.753906 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: 2658000 4000.6502 20328.7799 14575.8135 247.8463 -203548.1522 2789.8295 0.0000 0.0000 52414.1654 -109191.0674 301.2249 -161605.2328 -108821.5674 299.5561 56.1109 83.5422 761957.5528 -1.9713 -1.8304 PRESSURE: 2658200 244.345 -153.983 -89.0619 -153.982 271.984 229.556 -89.0625 229.555 350.325 GPRESSURE: 2658200 263.484 -83.6973 -214.273 -199.827 256.69 184.881 -40.9647 152.193 422.738 PRESSAVG: 2658200 55.2125 -61.6247 43.8243 -61.6246 -29.9979 -21.6526 43.8243 -21.6526 -17.8149 GPRESSAVG: 2658200 53.599 -62.2143 44.1451 -59.9237 -29.4077 -22.5727 44.1305 -23.1258 -16.6 TIMING: 2658200 CPU: 8471.89, 0.00313855/step Wall: 8471.89, 0.00313855/step, 2.04162 hours remaining, 240.753906 MB of memory in use. ENERGY: 2658200 4083.6673 20624.2887 14505.7137 252.4756 -203226.2621 2711.2405 0.0000 0.0000 51846.4413 -109202.4349 297.9622 -161048.8762 -108849.6764 300.1852 288.8847 314.3042 761162.6727 2.4666 2.5304 PRESSURE: 2658400 -92.448 109.912 -303.159 109.912 208.744 2.56123 -303.16 2.56109 99.0502 GPRESSURE: 2658400 -82.3986 120.066 -226.354 -19.4737 115.914 89.0126 -223.228 -38.4706 260.552 PRESSAVG: 2658400 6.0681 -53.3903 -19.8849 -53.3903 8.30479 21.7065 -19.8848 21.7065 9.18428 GPRESSAVG: 2658400 8.10141 -53.3107 -19.9714 -53.604 5.68919 22.1879 -20.2771 22.7238 9.74133 TIMING: 2658400 CPU: 8472.52, 0.00314523/step Wall: 8472.52, 0.00314523/step, 2.0458 hours remaining, 240.753906 MB of memory in use. ENERGY: 2658400 3958.5769 20444.2272 14524.4273 242.0838 -203479.4869 2715.0378 0.0000 0.0000 52309.3206 -109285.8133 300.6224 -161595.1339 -108923.1933 300.3315 71.7820 98.0223 760608.6316 7.8524 7.8440 PRESSURE: 2658600 -31.2062 -8.38597 -8.95093 -8.38525 -294.804 102.263 -8.95131 102.263 -126.179 GPRESSURE: 2658600 -108.878 -100.696 19.5559 -87.5725 -161.326 111.824 147.904 112.27 -104.95 PRESSAVG: 2658600 -9.0358 -45.6396 44.3056 -45.6396 -24.2562 -2.44161 44.3055 -2.44154 26.5166 GPRESSAVG: 2658600 -10.6352 -43.8675 43.4152 -47.2507 -22.3501 -2.46082 44.5711 -3.1845 25.7428 TIMING: 2658600 CPU: 8473.14, 0.00312736/step Wall: 8473.14, 0.00312736/step, 2.034 hours remaining, 240.753906 MB of memory in use. ENERGY: 2658600 3943.0082 20571.3308 14512.2899 250.7501 -203092.0777 2501.6847 0.0000 0.0000 52108.5975 -109204.4165 299.4688 -161313.0140 -108842.6888 300.0050 -150.7297 -125.0514 762128.7888 -2.2585 -2.4142 PRESSURE: 2658800 23.9557 -125.125 97.6194 -125.124 142.895 -115.31 97.6186 -115.311 -331.14 GPRESSURE: 2658800 82.9222 -164.712 -30.3785 -157.94 197.787 -69.9333 -18.1949 32.9132 -350.027 PRESSAVG: 2658800 27.4743 -50.4939 66.2423 -50.494 17.7766 13.4425 66.2423 13.4426 5.76913 GPRESSAVG: 2658800 28.1987 -52.5241 67.0928 -52.2087 17.7924 13.6551 65.3995 14.5672 5.38412 TIMING: 2658800 CPU: 8473.77, 0.00314878/step Wall: 8473.77, 0.00314878/step, 2.04776 hours remaining, 240.753906 MB of memory in use. ENERGY: 2658800 4056.8402 20594.2940 14523.8540 241.5513 -203245.4686 2543.0272 0.0000 0.0000 51893.9614 -109391.9406 298.2353 -161285.9019 -109040.6027 299.3647 -54.7630 -23.1060 761182.6245 17.0067 17.1251 PRESSURE: 2659000 -179.855 73.9843 50.1916 73.984 116.382 -73.8331 50.1921 -73.8331 6.29938 GPRESSURE: 2659000 -189.28 123.271 103.565 -40.5473 96.8024 -92.2205 20.9933 -51.7476 118.315 PRESSAVG: 2659000 33.2419 7.99573 -34.2578 7.99564 -50.842 -35.9363 -34.2578 -35.9363 8.97132 GPRESSAVG: 2659000 33.7395 11.6095 -36.2373 8.3232 -50.8434 -36.3362 -32.0309 -37.0807 8.83713 TIMING: 2659000 CPU: 8474.4, 0.00315442/step Wall: 8474.4, 0.00315442/step, 2.05125 hours remaining, 240.753906 MB of memory in use. ENERGY: 2659000 4024.1874 20683.7707 14549.4726 255.3021 -203508.8534 2839.8564 0.0000 0.0000 52039.9761 -109116.2882 299.0745 -161156.2643 -108758.9301 299.4387 -19.0580 8.6128 762724.4172 -2.8763 -2.7556 PRESSURE: 2659200 -295.34 79.5759 9.28926 79.5762 -209.812 -56.5457 9.28963 -56.5452 -7.14478 GPRESSURE: 2659200 -167.44 40.4131 -51.618 29.1567 -200.741 -64.2672 13.9197 -33.0002 -62.1543 PRESSAVG: 2659200 32.7224 5.03708 39.635 5.03713 -22.1684 -1.7363 39.635 -1.73629 3.32612 GPRESSAVG: 2659200 32.8091 2.88141 39.2982 6.66348 -20.9849 -1.46927 38.9579 -1.5149 2.02583 TIMING: 2659200 CPU: 8475.03, 0.00314798/step Wall: 8475.03, 0.00314798/step, 2.04688 hours remaining, 240.753906 MB of memory in use. ENERGY: 2659200 4033.6818 20691.5167 14598.0971 235.1134 -203336.5332 2644.7775 0.0000 0.0000 52123.9163 -109009.4305 299.5569 -161133.3467 -108638.5027 299.8629 -170.7657 -143.4451 763016.3275 4.6267 4.6167 PRESSURE: 2659400 -51.5897 239.944 235.85 239.944 -314.813 134.634 235.85 134.634 -123.096 GPRESSURE: 2659400 9.85863 195.421 295.145 259.441 -254.401 82.9035 80.3832 191.166 -145.356 PRESSAVG: 2659400 -54.2236 -23.0499 -17.2883 -23.0499 26.4391 -4.65121 -17.2883 -4.65122 22.6645 GPRESSAVG: 2659400 -54.0787 -24.423 -16.2047 -22.7467 25.7076 -4.43353 -18.2984 -3.1845 23.4149 TIMING: 2659400 CPU: 8475.66, 0.00312042/step Wall: 8475.66, 0.00312042/step, 2.02879 hours remaining, 240.753906 MB of memory in use. ENERGY: 2659400 3987.9632 20595.9537 14616.7795 235.9303 -203703.5527 2858.8509 0.0000 0.0000 52197.1058 -109210.9694 299.9775 -161408.0752 -108845.7531 300.1026 -163.1663 -129.9661 761710.4501 -1.7066 -1.6521 PRESSURE: 2659600 -269.103 -254.072 -3.73367 -254.071 157.881 -245.682 -3.73463 -245.683 -192.464 GPRESSURE: 2659600 -247.909 -221.375 104.89 -147.876 179.055 -229.07 -69.3845 -110.494 -148.391 PRESSAVG: 2659600 -32.576 -20.7599 -9.58044 -20.76 -1.22673 -44.8756 -9.58049 -44.8756 -19.0692 GPRESSAVG: 2659600 -33.184 -19.9154 -8.25915 -21.0221 -0.908666 -45.3203 -8.38513 -46.1113 -18.6285 TIMING: 2659600 CPU: 8476.28, 0.00312282/step Wall: 8476.28, 0.00312282/step, 2.03018 hours remaining, 240.753906 MB of memory in use. ENERGY: 2659600 4059.0807 20447.4183 14546.1618 233.5527 -203274.0473 2595.8746 0.0000 0.0000 52108.2964 -109283.6628 299.4671 -161391.9592 -108915.5865 299.5136 -101.2287 -72.4150 761625.0117 -17.6240 -17.5737 PRESSURE: 2659800 -40.7156 -138.627 145.436 -138.627 34.8871 79.4475 145.437 79.4472 326.48 GPRESSURE: 2659800 52.9919 -45.8424 149.773 -123.772 72.2273 100.738 129.441 13.5739 277.223 PRESSAVG: 2659800 -8.15367 -4.4412 -21.7468 -4.44118 -2.56315 7.76838 -21.7469 7.7684 19.4939 GPRESSAVG: 2659800 -8.05763 -4.36326 -20.2068 -5.4184 -1.73264 7.60814 -24.472 8.38792 18.2623 TIMING: 2659800 CPU: 8476.91, 0.00314112/step Wall: 8476.91, 0.00314112/step, 2.0419 hours remaining, 240.753906 MB of memory in use. ENERGY: 2659800 4097.5943 20559.1443 14548.2630 241.4639 -203513.8266 2857.4527 0.0000 0.0000 51819.5416 -109390.3668 297.8076 -161209.9084 -109029.6118 299.7508 106.8838 134.1472 760620.8472 2.9257 2.8240 PRESSURE: 2660000 252.591 110.223 -218.996 110.223 258.324 -143.821 -218.997 -143.822 -188.604 GPRESSURE: 2660000 248.794 36.3691 -170.046 77.3202 272.134 -161.027 -174.17 -235.704 -141.875 PRESSAVG: 2660000 -22.7021 16.7784 -4.76711 16.7784 -4.16404 12.9854 -4.76707 12.9854 3.01608 GPRESSAVG: 2660000 -22.6536 16.2888 -6.74748 18.8552 -5.83044 12.9107 -2.47505 11.2437 4.77984 TIMING: 2660000 CPU: 8477.54, 0.00313615/step Wall: 8477.54, 0.00313615/step, 2.0385 hours remaining, 240.753906 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: 2660000 3928.1255 20662.6846 14484.8413 256.4448 -203856.3106 2677.9870 0.0000 0.0000 51961.9019 -109884.3254 298.6258 -161846.2273 -109528.3605 298.9940 107.4369 126.3509 760273.0372 -7.9500 -7.9014 PRESSURE: 2660200 -161.225 -164.251 12.6728 -164.25 44.5881 93.2182 12.6733 93.2182 -164.735 GPRESSURE: 2660200 -54.6838 -54.3403 119.421 -47.1988 -0.169466 139.778 -4.1269 82.5208 -184.406 PRESSAVG: 2660200 -21.5663 -24.8542 0.311975 -24.8542 31.5779 -89.8986 0.311965 -89.8986 20.3415 GPRESSAVG: 2660200 -20.3448 -22.9729 -0.130297 -24.956 31.2301 -88.7438 -1.94372 -90.4261 19.0132 TIMING: 2660200 CPU: 8478.16, 0.00312499/step Wall: 8478.16, 0.00312499/step, 2.03107 hours remaining, 240.753906 MB of memory in use. ENERGY: 2660200 4032.9994 20521.7632 14593.1683 220.4400 -203703.5065 2681.3565 0.0000 0.0000 51991.5490 -109662.2300 298.7961 -161653.7791 -109299.5430 299.1801 -93.7906 -79.7532 760228.9580 10.1177 9.9662 LDB: ============= START OF LOAD BALANCING ============== 8490.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8490.61 LDB: =============== DONE WITH MIGRATION ================ 8490.61 LDB: ============= START OF LOAD BALANCING ============== 8490.92 LDB: Largest compute 7038 load 0.034136 is 17.5% of average load 0.195278 LDB: Average compute 0.004405 is 2.3% of average load 0.195278 LDB: TIME 8490.93 LOAD: AVG 0.195278 MAX 0.21511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 8490.93 LOAD: AVG 0.195278 MAX 0.21511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: TIME 8490.93 LOAD: AVG 0.195278 MAX 0.21511 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: ============== END OF LOAD BALANCING =============== 8490.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8490.93 PRESSURE: 2660400 -266.392 -36.951 25.0154 -36.951 -483.647 6.34162 25.0148 6.34156 -344.455 GPRESSURE: 2660400 -302.206 53.548 83.1519 -217.378 -386.769 1.55079 -14.4815 78.175 -323.996 PRESSAVG: 2660400 -1.3503 -51.8762 15.4107 -51.8763 53.4168 -36.1329 15.4107 -36.1329 -14.3908 GPRESSAVG: 2660400 -1.68187 -54.0497 14.9552 -52.1732 53.3052 -36.7783 18.711 -35.0282 -13.9497 TIMING: 2660400 CPU: 8478.8, 0.00318287/step Wall: 8478.8, 0.00318287/step, 2.06851 hours remaining, 240.605469 MB of memory in use. ENERGY: 2660400 4024.4711 20447.2834 14494.4339 253.4642 -203317.6104 2255.4987 0.0000 0.0000 52216.2718 -109626.1872 300.0876 -161842.4590 -109250.0243 299.1663 -364.8315 -337.6570 759556.0210 12.5585 12.5579 PRESSURE: 2660600 -273.471 146.592 137.283 146.592 -256.086 -77.1929 137.284 -77.1931 -376.205 GPRESSURE: 2660600 -230.415 122.825 101.533 204.077 -273.253 -61.8456 124.437 -80.06 -304.994 PRESSAVG: 2660600 21.6026 -23.2931 53.2378 -23.2932 -30.3367 12.5234 53.2378 12.5234 -29.381 GPRESSAVG: 2660600 19.5883 -24.2249 52.3218 -23.1262 -29.2638 14.6426 54.2404 14.2924 -28.7673 TIMING: 2660600 CPU: 8479.43, 0.0031335/step Wall: 8479.43, 0.0031335/step, 2.03625 hours remaining, 240.605469 MB of memory in use. ENERGY: 2660600 4048.7672 20634.9073 14445.3400 242.5011 -203317.5806 2266.1759 0.0000 0.0000 52035.8261 -109644.0630 299.0506 -161679.8891 -109288.0777 299.5850 -301.9208 -269.5540 760871.6368 -12.7050 -12.8143 PRESSURE: 2660800 -386.069 -50.9768 44.6489 -50.9769 -283.173 -155.642 44.6495 -155.642 -75.1296 GPRESSURE: 2660800 -364.571 -45.136 -63.0326 -50.9468 -173.011 -92.8416 117.795 -99.4151 -116.699 PRESSAVG: 2660800 -36.4387 -34.0363 43.2389 -34.0362 36.1234 -30.9885 43.2389 -30.9884 23.1678 GPRESSAVG: 2660800 -35.9737 -34.3514 42.9394 -33.7612 36.3879 -31.7347 41.2935 -31.8521 22.211 TIMING: 2660800 CPU: 8480.05, 0.0031356/step Wall: 8480.05, 0.0031356/step, 2.03744 hours remaining, 240.605469 MB of memory in use. ENERGY: 2660800 3969.6393 20497.4856 14578.7258 259.9091 -202653.4078 1962.3105 0.0000 0.0000 52177.3534 -109207.9841 299.8640 -161385.3376 -108842.5109 299.6632 -248.1241 -218.0940 760373.6051 7.6175 7.5417 PRESSURE: 2661000 -56.6767 110.024 83.5675 110.023 -107.611 152.078 83.5681 152.078 -270.565 GPRESSURE: 2661000 -48.3311 94.0127 50.2197 -69.2997 -55.5902 79.8249 33.5164 98.1007 -253.162 PRESSAVG: 2661000 -76.5231 11.5367 9.77074 11.5367 37.6888 -31.7836 9.77077 -31.7836 21.317 GPRESSAVG: 2661000 -74.3399 11.128 11.7394 12.4888 36.6759 -33.5108 7.99864 -33.993 20.345 TIMING: 2661000 CPU: 8480.68, 0.00313795/step Wall: 8480.68, 0.00313795/step, 2.03879 hours remaining, 240.605469 MB of memory in use. ENERGY: 2661000 4072.1034 20642.3916 14514.5160 270.6817 -203383.4294 2510.0308 0.0000 0.0000 52250.2256 -109123.4802 300.2828 -161373.7058 -108775.1669 300.6175 -144.9510 -119.0278 760704.7233 -5.8391 -5.7730 PRESSURE: 2661200 -61.2168 58.1227 87.9398 58.123 173.651 23.0863 87.9396 23.085 272.9 GPRESSURE: 2661200 32.1689 112.476 23.9181 73.5363 154.639 65.7477 201.579 -0.973961 279.175 PRESSAVG: 2661200 -20.3307 21.2217 33.6915 21.2217 30.648 13.0426 33.6915 13.0426 -1.70571 GPRESSAVG: 2661200 -21.7566 21.8469 32.4516 20.3518 30.8434 14.0851 35.0875 14.327 -0.293986 TIMING: 2661200 CPU: 8481.31, 0.00314393/step Wall: 8481.31, 0.00314393/step, 2.0425 hours remaining, 240.605469 MB of memory in use. ENERGY: 2661200 3952.5310 20663.5442 14480.6913 248.9905 -203261.8226 2592.7012 0.0000 0.0000 52150.4420 -109172.9224 299.7093 -161323.3644 -108810.3443 299.9618 128.4447 155.3276 760598.5965 2.8705 2.9309 PRESSURE: 2661400 34.4244 -132.178 29.2541 -132.178 -102.486 -37.4537 29.254 -37.4527 -296.052 GPRESSURE: 2661400 70.1313 -49.0662 -11.0772 -158.361 -48.9759 -27.2881 65.3514 65.5229 -291.198 PRESSAVG: 2661400 -30.1747 -38.565 23.6328 -38.565 -48.4828 8.08223 23.6328 8.08227 -2.57107 GPRESSAVG: 2661400 -28.4444 -36.8562 22.6338 -37.5294 -48.702 7.17601 25.8701 9.93448 -4.18524 TIMING: 2661400 CPU: 8481.94, 0.00315898/step Wall: 8481.94, 0.00315898/step, 2.05211 hours remaining, 240.605469 MB of memory in use. ENERGY: 2661400 4085.7544 20297.4263 14571.5599 262.7596 -203485.8419 2775.6560 0.0000 0.0000 52408.3777 -109084.3081 301.1917 -161492.6858 -108714.8925 299.9738 -121.3713 -90.0142 760878.2412 -27.0762 -27.1105 PRESSURE: 2661600 -235.906 -3.81244 106.408 -3.81323 -132.003 -103.855 106.407 -103.855 20.7592 GPRESSURE: 2661600 -112.998 -84.5386 80.9356 -55.3046 -84.3038 39.4643 98.2131 -67.3149 -58.6667 PRESSAVG: 2661600 -1.05797 -12.7882 40.0118 -12.7881 29.9072 -47.2516 40.0118 -47.2517 6.95513 GPRESSAVG: 2661600 -2.48566 -13.1139 42.2158 -13.9855 30.0622 -46.6922 36.8998 -45.7047 7.9156 TIMING: 2661600 CPU: 8482.56, 0.00311822/step Wall: 8482.56, 0.00311822/step, 2.02546 hours remaining, 240.605469 MB of memory in use. ENERGY: 2661600 4050.0762 20462.4624 14546.3243 242.4021 -202885.5043 2333.8803 0.0000 0.0000 52173.9760 -109076.3829 299.8446 -161250.3590 -108707.7377 300.0300 -115.7168 -85.3229 761173.9713 11.9348 11.8307 PRESSURE: 2661800 97.5132 -259.638 -29.4822 -259.639 -9.77538 394.112 -29.4828 394.112 -172.424 GPRESSURE: 2661800 153.587 -89.3565 27.9018 -168.434 10.9679 300.398 -64.4349 309.88 -174.289 PRESSAVG: 2661800 10.3155 -16.53 44.9982 -16.53 3.35924 -19.7504 44.9982 -19.7503 5.97359 GPRESSAVG: 2661800 9.29916 -14.2747 42.7027 -16.3326 4.6597 -18.3114 45.959 -23.477 6.03265 TIMING: 2661800 CPU: 8483.19, 0.00313288/step Wall: 8483.19, 0.00313288/step, 2.0348 hours remaining, 240.605469 MB of memory in use. ENERGY: 2661800 4025.0854 20656.2330 14584.0023 244.3174 -203320.2937 2597.7801 0.0000 0.0000 52148.9262 -109063.9494 299.7006 -161212.8756 -108707.8300 299.8280 -28.2286 -3.2447 761247.5062 6.5494 6.6638 PRESSURE: 2662000 -41.9681 213.286 195.84 213.285 -82.5331 -71.3716 195.84 -71.3711 105.55 GPRESSURE: 2662000 -12.7429 245.619 162.377 163.831 -22.619 -125.681 226.22 -24.0044 104.748 PRESSAVG: 2662000 -12.7943 -6.82464 7.83831 -6.82467 15.4954 -29.4882 7.83833 -29.4882 4.65404 GPRESSAVG: 2662000 -12.2003 -8.72396 9.87456 -5.13528 16.1708 -29.1684 5.49963 -30.4072 3.68384 TIMING: 2662000 CPU: 8483.82, 0.00312901/step Wall: 8483.82, 0.00312901/step, 2.03212 hours remaining, 240.605469 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: 2662000 4004.3222 20374.0771 14489.8938 249.2828 -203231.8827 2681.3164 0.0000 0.0000 52277.3699 -109155.6205 300.4388 -161432.9904 -108785.2506 299.9127 -6.3170 23.1287 760594.3602 2.4517 2.5514 PRESSURE: 2662200 -306.864 -124.681 -146.177 -124.682 -21.3476 -105.406 -146.176 -105.405 341.833 GPRESSURE: 2662200 -209.783 -143.427 -148.072 -60.5028 -7.56006 -71.1071 -86.8045 -102.471 322.137 PRESSAVG: 2662200 -9.71449 -35.3288 -24.0152 -35.3289 -3.13286 0.14615 -24.0152 0.146174 7.50823 GPRESSAVG: 2662200 -9.29377 -35.3798 -22.3778 -36.0634 -3.88969 -0.611843 -22.5016 2.58954 8.00288 TIMING: 2662200 CPU: 8484.44, 0.00313706/step Wall: 8484.44, 0.00313706/step, 2.03717 hours remaining, 240.605469 MB of memory in use. ENERGY: 2662200 3984.8559 20384.8266 14541.0308 255.2123 -203102.1294 2574.0844 0.0000 0.0000 52270.4698 -109091.6498 300.3991 -161362.1195 -108723.9685 300.3176 4.5405 34.9311 760396.4702 -1.7797 -1.7269 PRESSURE: 2662400 -379.208 192.304 24.8311 192.305 -351.838 180.945 24.8312 180.946 38.8142 GPRESSURE: 2662400 -299.078 152.684 27.264 177.485 -335.51 156.27 -6.42099 132.1 31.3929 PRESSAVG: 2662400 -17.3218 -28.4283 21.5653 -28.4284 -15.098 13.4702 21.5653 13.4703 -8.82316 GPRESSAVG: 2662400 -17.3017 -28.9871 18.3374 -28.512 -15.5698 12.0424 21.9488 13.7674 -8.29877 TIMING: 2662400 CPU: 8485.07, 0.00314661/step Wall: 8485.07, 0.00314661/step, 2.0432 hours remaining, 240.605469 MB of memory in use. ENERGY: 2662400 3998.8998 20705.1472 14515.6481 248.0972 -203099.3840 2262.6881 0.0000 0.0000 52299.1369 -109069.7668 300.5639 -161368.9037 -108704.1287 300.0358 -230.7439 -201.0652 761030.1466 -13.7477 -13.7234 PRESSURE: 2662600 -213.176 -138.329 46.5683 -138.329 -89.2017 -203.915 46.568 -203.915 184.408 GPRESSURE: 2662600 -133.931 -104.568 16.7756 -97.0305 -54.4634 -218.583 77.008 -282.804 165.291 PRESSAVG: 2662600 9.79179 -30.1596 6.70931 -30.1596 -59.9803 -1.13936 6.7093 -1.1394 24.4062 GPRESSAVG: 2662600 8.91147 -30.3839 7.73346 -28.6536 -58.7981 -0.691845 6.16993 -2.94711 24.5202 TIMING: 2662600 CPU: 8485.7, 0.00314506/step Wall: 8485.7, 0.00314506/step, 2.04202 hours remaining, 240.605469 MB of memory in use. ENERGY: 2662600 4028.0885 20474.5393 14523.9180 234.0255 -203069.9720 2366.4587 0.0000 0.0000 52551.3187 -108891.6233 302.0132 -161442.9420 -108531.9283 300.7333 -39.3235 -7.7010 762134.7037 -8.5941 -8.4555 PRESSURE: 2662800 -173.509 -41.8151 29.1777 -41.8146 -157.387 168.126 29.1777 168.126 -4.7564 GPRESSURE: 2662800 -243.822 -28.2352 84.9637 -182.97 -88.9839 157.823 -46.3992 141.017 89.8536 PRESSAVG: 2662800 -29.3426 -62.8422 44.3152 -62.8422 -6.83146 -35.7786 44.3152 -35.7786 -12.4428 GPRESSAVG: 2662800 -28.482 -62.1637 45.0084 -63.9166 -7.15278 -35.3765 46.0041 -35.2186 -13.0155 TIMING: 2662800 CPU: 8486.33, 0.00312578/step Wall: 8486.33, 0.00312578/step, 2.02932 hours remaining, 240.605469 MB of memory in use. ENERGY: 2662800 4026.7631 20532.2007 14479.3429 253.2198 -203213.2686 2497.9785 0.0000 0.0000 52139.3373 -109284.4262 299.6455 -161423.7635 -108938.4223 300.0240 -111.8842 -80.9840 761724.6307 -16.2056 -16.2167 PRESSURE: 2663000 -431.003 -120.361 50.8154 -120.361 -110.439 334.416 50.8157 334.416 -159.37 GPRESSURE: 2663000 -390.868 -51.3529 131.21 -44.3723 -15.8766 249.765 -48.0892 324.542 -210.52 PRESSAVG: 2663000 -16.5238 -19.0537 -26.4293 -19.0537 1.99329 -55.7459 -26.4293 -55.7459 38.9899 GPRESSAVG: 2663000 -17.6043 -19.3984 -26.7706 -19.7827 3.09276 -55.5095 -27.7156 -54.8616 39.0296 TIMING: 2663000 CPU: 8486.96, 0.00317514/step Wall: 8486.96, 0.00317514/step, 2.06119 hours remaining, 240.605469 MB of memory in use. ENERGY: 2663000 3868.7245 20560.9836 14551.9760 257.3919 -203348.2149 2481.0784 0.0000 0.0000 52230.6662 -109397.3943 300.1704 -161628.0605 -109028.0278 299.6201 -233.6038 -205.7550 762606.5062 8.1531 8.1727 PRESSURE: 2663200 -339.17 -181.738 82.8044 -181.737 46.3407 60.2389 82.8048 60.2392 114.447 GPRESSURE: 2663200 -242.901 -50.5007 20.568 -169.489 64.5653 -24.4417 -35.9996 69.435 76.3567 PRESSAVG: 2663200 -21.5928 -78.4311 10.88 -78.4312 27.1011 13.7468 10.88 13.7468 25.8118 GPRESSAVG: 2663200 -19.3924 -79.5482 10.0433 -76.1095 25.4908 12.4464 11.4298 13.2298 25.1222 TIMING: 2663200 CPU: 8487.59, 0.00315871/step Wall: 8487.59, 0.0031587/step, 2.05035 hours remaining, 240.605469 MB of memory in use. ENERGY: 2663200 3987.6102 20523.1956 14520.5653 241.5633 -202792.4921 2083.6245 0.0000 0.0000 52073.3990 -109362.5342 299.2665 -161435.9332 -109008.5226 299.2095 -59.4608 -33.9930 761861.5109 10.4400 10.4069 PRESSURE: 2663400 -21.7194 10.1515 -89.0008 10.1511 132.566 211.893 -89.0008 211.894 183.348 GPRESSURE: 2663400 8.59727 20.4407 -158.351 4.58606 196.698 168.909 -72.6153 213.312 198.527 PRESSAVG: 2663400 -5.5357 -32.7807 61.0337 -32.7806 1.83465 38.4969 61.0337 38.4969 -4.30633 GPRESSAVG: 2663400 -6.39459 -32.6905 62.4396 -35.5627 2.25087 38.8346 58.9121 37.6418 -4.35775 TIMING: 2663400 CPU: 8488.22, 0.00313382/step Wall: 8488.22, 0.00313382/step, 2.03402 hours remaining, 240.605469 MB of memory in use. ENERGY: 2663400 3981.1453 20367.0194 14563.1737 281.5607 -203451.1118 2684.7965 0.0000 0.0000 52207.5333 -109365.8830 300.0374 -161573.4162 -108991.9942 299.4453 98.0650 134.6073 759922.4781 -2.6691 -2.8338 PRESSURE: 2663600 -119.397 27.2359 109.492 27.2367 0.572724 -44.2034 109.492 -44.2031 -66.2527 GPRESSURE: 2663600 -2.48418 -41.1487 68.5679 -20.3472 -7.32358 37.7348 104.092 -59.7016 -89.817 PRESSAVG: 2663600 -45.0359 0.664922 10.3016 0.664885 28.7037 4.86713 10.3016 4.86709 6.80511 GPRESSAVG: 2663600 -46.4112 2.35802 9.81716 -0.612287 28.8846 5.19006 12.6714 4.66608 7.41959 TIMING: 2663600 CPU: 8488.85, 0.00315172/step Wall: 8488.85, 0.00315172/step, 2.04547 hours remaining, 240.605469 MB of memory in use. ENERGY: 2663600 3965.9032 20461.7377 14526.8911 234.2032 -203171.1766 2467.8790 0.0000 0.0000 51986.0487 -109528.5139 298.7645 -161514.5626 -109164.4667 299.1548 -61.6924 -33.2082 761112.1856 -3.1757 -3.3690 PRESSURE: 2663800 -118.121 37.7148 136.421 37.7151 117.061 71.5208 136.421 71.5201 -189.484 GPRESSURE: 2663800 -95.9161 38.003 159.961 26.8124 147.233 43.3372 98.4402 -25.7974 -153.91 PRESSAVG: 2663800 -22.2009 -20.9941 64.2372 -20.9941 39.0764 41.8464 64.2372 41.8464 7.30176 GPRESSAVG: 2663800 -21.1375 -23.5915 63.7913 -17.3636 38.5724 43.7284 62.5509 41.0518 6.99535 TIMING: 2663800 CPU: 8489.49, 0.00317158/step Wall: 8489.49, 0.00317158/step, 2.05818 hours remaining, 240.605469 MB of memory in use. ENERGY: 2663800 3992.6108 20403.2171 14508.9806 234.3520 -203365.2368 2670.5445 0.0000 0.0000 52181.5236 -109374.0082 299.8879 -161555.5318 -109004.8348 298.6227 -63.5145 -34.1976 762383.9802 8.0591 8.1434 PRESSURE: 2664000 170.185 106.521 -27.0169 106.522 -54.0423 12.0944 -27.0169 12.094 184.574 GPRESSURE: 2664000 216.894 52.9603 -117.345 145.897 -8.26947 -15.514 188.818 23.5844 167.177 PRESSAVG: 2664000 50.238 -14.0425 21.8223 -14.0425 -38.4607 90.7921 21.8223 90.7921 -13.9161 GPRESSAVG: 2664000 50.0098 -14.0253 22.5538 -15.539 -38.1426 88.3241 24.5266 91.5925 -14.2657 TIMING: 2664000 CPU: 8490.12, 0.0031672/step Wall: 8490.12, 0.0031672/step, 2.05516 hours remaining, 240.605469 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: 2664000 3966.8707 20487.6154 14495.8846 243.9253 -203316.0361 2647.5988 0.0000 0.0000 52056.9561 -109417.1852 299.1720 -161474.1413 -109065.7123 299.0021 100.2388 125.2670 763003.9740 -0.7130 -0.7995 PRESSURE: 2664200 -287.865 -4.91028 0.384109 -4.91073 -137.891 115.763 0.385048 115.763 -251.862 GPRESSURE: 2664200 -334.979 -87.0736 25.1264 -84.6511 -19.5473 -20.1989 -124.911 67.5 -239.658 PRESSAVG: 2664200 -4.46875 -19.0043 -35.7 -19.0043 -12.1003 70.4612 -35.7 70.4612 -4.17327 GPRESSAVG: 2664200 -5.81047 -19.484 -36.9096 -16.8832 -10.9613 71.1604 -38.1498 70.2319 -3.60472 TIMING: 2664200 CPU: 8490.75, 0.00317178/step Wall: 8490.75, 0.00317178/step, 2.05796 hours remaining, 240.605469 MB of memory in use. ENERGY: 2664200 4044.2630 20479.7199 14504.2354 273.2550 -203011.8010 2262.2904 0.0000 0.0000 51743.2749 -109704.7622 297.3693 -161448.0371 -109347.3550 298.6881 -225.8728 -198.0615 761820.9933 -6.9141 -6.7922 LDB: ============= START OF LOAD BALANCING ============== 8503.21 LDB: ============== END OF LOAD BALANCING =============== 8503.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8503.21 LDB: ============= START OF LOAD BALANCING ============== 8503.53 LDB: Largest compute 7070 load 0.033193 is 17.0% of average load 0.195350 LDB: Average compute 0.004398 is 2.3% of average load 0.195350 LDB: TIME 8503.53 LOAD: AVG 0.19535 MAX 0.216098 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.406 MB LDB: TIME 8503.53 LOAD: AVG 0.19535 MAX 0.216098 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.613 MB LDB: TIME 8503.53 LOAD: AVG 0.19535 MAX 0.216098 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.613 MB LDB: ============== END OF LOAD BALANCING =============== 8503.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8503.54 PRESSURE: 2664400 -29.0248 -215.134 -251.056 -215.135 -239.236 118.387 -251.057 118.387 -129.792 GPRESSURE: 2664400 -33.0744 -207.295 -216.713 -164.584 -141.765 115.919 -198.09 64.5887 -133.817 PRESSAVG: 2664400 9.4476 -51.0071 10.7149 -51.0071 -42.8223 15.6127 10.7149 15.6126 33.8633 GPRESSAVG: 2664400 11.4795 -50.6943 11.5291 -52.8606 -44.2742 15.2796 12.3625 16.1098 33.3215 TIMING: 2664400 CPU: 8491.4, 0.00323066/step Wall: 8491.4, 0.00323066/step, 2.09598 hours remaining, 239.324219 MB of memory in use. ENERGY: 2664400 3939.4825 20524.6307 14524.1012 238.2560 -203156.3262 2307.8018 0.0000 0.0000 52124.5739 -109497.4801 299.5606 -161622.0540 -109130.1159 298.9723 -132.6842 -102.8854 761895.5430 0.1629 0.1756 PRESSURE: 2664600 -363.253 -11.4998 111.067 -11.5003 18.3226 -250.377 111.068 -250.376 -358.961 GPRESSURE: 2664600 -272.917 -68.9475 68.6063 -37.6661 3.4687 -184.452 74.9158 -182.196 -361.492 PRESSAVG: 2664600 -47.9436 -72.4298 18.8105 -72.4299 31.9877 15.8739 18.8105 15.874 5.13567 GPRESSAVG: 2664600 -48.0426 -71.722 18.1542 -71.0463 31.5242 16.4206 16.5797 16.0219 5.67342 TIMING: 2664600 CPU: 8492.04, 0.00317924/step Wall: 8492.04, 0.00317924/step, 2.06245 hours remaining, 239.324219 MB of memory in use. ENERGY: 2664600 3985.9529 20606.2785 14525.6018 252.7490 -203566.4206 2614.7047 0.0000 0.0000 52058.9889 -109522.1447 299.1837 -161581.1336 -109160.1111 299.2601 -234.6307 -210.3133 760719.2276 -3.6067 -3.6150 PRESSURE: 2664800 -18.805 -55.4309 92.9521 -55.4313 -15.3731 105.699 92.9522 105.699 -84.058 GPRESSURE: 2664800 -2.58564 -49.4371 72.6292 -105.006 30.0395 153.978 8.21565 45.6591 -54.2582 PRESSAVG: 2664800 -9.9275 -22.0443 -0.755896 -22.0443 54.8138 59.6572 -0.755803 59.6572 2.79492 GPRESSAVG: 2664800 -10.1685 -24.0062 -1.26965 -24.4088 54.9224 60.4644 -1.60773 57.9851 3.135 TIMING: 2664800 CPU: 8492.67, 0.00314625/step Wall: 8492.67, 0.00314625/step, 2.04087 hours remaining, 239.324219 MB of memory in use. ENERGY: 2664800 4032.0413 20377.6489 14522.3078 239.1935 -203468.0812 2655.1353 0.0000 0.0000 51888.5382 -109753.2163 298.2041 -161641.7545 -109403.3369 298.7981 -39.4121 -8.9348 760183.2369 15.8938 15.9630 PRESSURE: 2665000 -48.203 58.8976 285.033 58.898 -305.151 -4.23871 285.032 -4.23783 341.752 GPRESSURE: 2665000 -3.05733 108.948 289.565 49.3191 -255.713 -1.04034 288.424 -25.19 347.916 PRESSAVG: 2665000 -31.4968 -70.0723 8.21816 -70.0723 29.8199 28.3017 8.21818 28.3017 -11.944 GPRESSAVG: 2665000 -31.5511 -68.2565 9.15324 -70.0552 30.5766 26.5485 9.63531 29.2922 -12.1295 TIMING: 2665000 CPU: 8493.29, 0.00314001/step Wall: 8493.29, 0.00314001/step, 2.03664 hours remaining, 239.324219 MB of memory in use. ENERGY: 2665000 3947.6952 20494.1204 14546.8692 238.2036 -203618.8348 2529.4982 0.0000 0.0000 52028.8987 -109833.5494 299.0108 -161862.4481 -109471.1959 299.0514 -3.8674 29.7153 760698.5381 -4.5403 -4.3680 PRESSURE: 2665200 -112.544 -37.8271 7.51496 -37.8275 -5.0837 -140.527 7.51454 -140.526 -70.8444 GPRESSURE: 2665200 -50.0047 33.8071 -56.5311 -108.632 12.3279 -75.2251 -57.6508 -116.128 -64.5939 PRESSAVG: 2665200 -48.2348 -43.6666 19.4262 -43.6667 26.0969 -12.5377 19.4262 -12.5377 -35.1571 GPRESSAVG: 2665200 -46.5508 -42.8766 17.5839 -43.4653 25.4431 -10.7022 19.3615 -11.7031 -36.2893 TIMING: 2665200 CPU: 8493.92, 0.00311836/step Wall: 8493.92, 0.00311836/step, 2.02243 hours remaining, 239.324219 MB of memory in use. ENERGY: 2665200 4009.5093 20231.3758 14506.7533 241.1559 -203534.4856 2571.5444 0.0000 0.0000 52160.1412 -109814.0058 299.7650 -161974.1469 -109453.9864 298.4536 -62.8242 -34.0902 760300.2647 -19.0983 -19.1323 PRESSURE: 2665400 -269.847 179.631 -4.79038 179.631 -334.284 157.459 -4.79081 157.459 -796.762 GPRESSURE: 2665400 -206.058 140.342 16.1005 196.994 -268.813 181.599 128.331 154.998 -834.447 PRESSAVG: 2665400 -47.4503 -28.7387 -48.6663 -28.7387 77.2119 15.085 -48.6663 15.0849 -16.6283 GPRESSAVG: 2665400 -47.8017 -32.5173 -47.1867 -26.6398 77.1331 13.3984 -47.5238 16.9957 -16.0837 TIMING: 2665400 CPU: 8494.54, 0.00313815/step Wall: 8494.54, 0.00313815/step, 2.03509 hours remaining, 239.324219 MB of memory in use. ENERGY: 2665400 4046.6741 20513.8237 14465.9724 237.3267 -203249.2988 2351.5898 0.0000 0.0000 51830.1557 -109803.7564 297.8686 -161633.9121 -109437.9084 298.2266 -466.9642 -436.4395 761984.0108 4.3778 4.4159 PRESSURE: 2665600 -153.279 2.59776 -14.7357 2.59777 189.44 120.334 -14.7358 120.335 -13.155 GPRESSURE: 2665600 1.34657 13.4152 -61.0272 -29.9244 59.8156 82.9129 4.95664 -4.76428 47.02 PRESSAVG: 2665600 -47.2688 -48.8546 16.9255 -48.8545 22.9376 64.1414 16.9256 64.1415 -1.05958 GPRESSAVG: 2665600 -48.3291 -45.1367 16.6542 -51.1066 23.4976 65.35 18.8477 61.6937 -0.49787 TIMING: 2665600 CPU: 8495.18, 0.00315499/step Wall: 8495.18, 0.00315499/step, 2.04583 hours remaining, 239.324219 MB of memory in use. ENERGY: 2665600 3937.5494 20423.4825 14434.7705 234.6376 -203434.5985 2581.8290 0.0000 0.0000 52067.5074 -109754.8222 299.2327 -161822.3296 -109389.3750 298.1581 7.6686 36.0607 761933.0034 -8.4636 -8.4431 PRESSURE: 2665800 296.765 24.0878 217.019 24.0871 47.7028 99.5003 217.019 99.4989 354.908 GPRESSURE: 2665800 279.588 -2.79729 102.35 -18.7071 159.578 86.9894 202.214 0.275513 349.932 PRESSAVG: 2665800 -8.86076 -15.8039 -18.192 -15.8039 2.35449 50.6981 -18.1921 50.6982 -18.1072 GPRESSAVG: 2665800 -9.93835 -16.4752 -18.5007 -15.88 2.64747 49.2583 -18.9563 51.283 -17.3056 TIMING: 2665800 CPU: 8495.8, 0.00312276/step Wall: 8495.8, 0.00312276/step, 2.02476 hours remaining, 239.324219 MB of memory in use. ENERGY: 2665800 3934.3244 20410.1276 14552.3745 241.0112 -203645.1072 2753.2691 0.0000 0.0000 51938.0940 -109815.9063 298.4889 -161754.0003 -109465.4209 298.6060 233.1252 263.0326 761955.1356 -8.2045 -8.1988 PRESSURE: 2666000 -38.4251 -96.0933 -75.5414 -96.0929 -221.59 174.98 -75.5406 174.981 -71.913 GPRESSURE: 2666000 -16.4745 -71.9356 -111.447 -106.234 -211.784 79.017 89.0604 94.7993 -26.5046 PRESSAVG: 2666000 3.48246 13.2016 -14.7553 13.2016 -7.55897 13.8265 -14.7553 13.8266 31.653 GPRESSAVG: 2666000 3.86374 15.5077 -15.3365 11.9771 -8.05026 13.5289 -14.4465 12.9937 31.7544 TIMING: 2666000 CPU: 8496.42, 0.00311361/step Wall: 8496.42, 0.00311361/step, 2.01866 hours remaining, 239.324219 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: 2666000 3994.3704 20417.9870 14496.0331 243.7178 -203284.7230 2556.6550 0.0000 0.0000 51875.8948 -109700.0648 298.1315 -161575.9596 -109336.2880 298.8366 -110.6428 -84.9209 763182.4235 9.1922 9.1893 PRESSURE: 2666200 203.773 -23.9905 119.753 -23.9895 -84.353 -38.2604 119.753 -38.2601 -207.502 GPRESSURE: 2666200 218.253 -81.7543 53.6872 61.9116 -98.6122 -34.6195 108.607 99.7936 -109.919 PRESSAVG: 2666200 -52.8973 47.4829 17.0059 47.4829 45.4292 -23.0394 17.0059 -23.0394 -1.0622 GPRESSAVG: 2666200 -52.5749 44.9163 19.2189 47.777 45.6783 -22.1915 16.0183 -21.0049 -1.75929 TIMING: 2666200 CPU: 8497.05, 0.00314525/step Wall: 8497.05, 0.00314525/step, 2.039 hours remaining, 239.324219 MB of memory in use. ENERGY: 2666200 4036.9599 20578.2205 14470.3852 242.1674 -203613.5500 2635.3271 0.0000 0.0000 52051.6240 -109598.8659 299.1414 -161650.4898 -109246.6056 298.8511 -29.3605 3.2404 762156.0275 -2.8434 -2.8853 PRESSURE: 2666400 -239.333 -57.0884 -27.3991 -57.0883 89.6981 -90.3258 -27.3992 -90.3253 453.918 GPRESSURE: 2666400 -246.104 -98.9344 -36.7883 -99.2947 159.173 -88.6166 45.8184 -57.444 474.243 PRESSAVG: 2666400 -24.1162 -34.9928 47.195 -34.9927 -17.1897 -33.1667 47.195 -33.1667 4.68761 GPRESSAVG: 2666400 -24.2242 -34.7511 46.4681 -33.1738 -16.8219 -31.7766 46.5599 -34.557 4.6512 TIMING: 2666400 CPU: 8497.68, 0.00313809/step Wall: 8497.68, 0.00313809/step, 2.03418 hours remaining, 239.324219 MB of memory in use. ENERGY: 2666400 3995.6528 20562.7050 14535.2432 249.4096 -203342.1280 2629.3790 0.0000 0.0000 51833.3719 -109536.3664 297.8871 -161369.7383 -109175.4244 298.9181 101.4275 129.1041 763111.0054 -12.2061 -12.1316 PRESSURE: 2666600 -2.19841 117.135 -103.815 117.135 -252.593 60.4615 -103.814 60.4606 422.661 GPRESSURE: 2666600 106.617 18.8457 -76.7981 163.308 -185.334 77.5511 -67.8613 -2.89923 315.243 PRESSAVG: 2666600 36.1563 -20.452 16.4036 -20.4521 -23.3615 18.2161 16.4037 18.216 -16.8902 GPRESSAVG: 2666600 35.399 -19.1023 16.968 -20.8281 -23.4883 18.6203 16.7503 16.9491 -15.7169 TIMING: 2666600 CPU: 8498.3, 0.00312684/step Wall: 8498.3, 0.00312684/step, 2.02671 hours remaining, 239.324219 MB of memory in use. ENERGY: 2666600 3924.9349 20596.1794 14522.9628 239.5944 -203545.4403 2776.6275 0.0000 0.0000 52124.5667 -109360.5746 299.5606 -161485.1413 -108991.0793 299.6744 55.9565 78.8422 760656.6244 -1.3651 -1.2687 PRESSURE: 2666800 43.2147 -68.8258 -29.4744 -68.8269 -23.2108 -234.874 -29.4747 -234.875 -197.857 GPRESSURE: 2666800 50.5657 -91.4887 -109.451 -89.6174 12.7666 -263.507 35.0869 -123.6 -159.912 PRESSAVG: 2666800 30.1674 -4.07529 -7.12365 -4.07525 17.3149 14.4541 -7.12365 14.454 -11.7699 GPRESSAVG: 2666800 31.872 -7.02076 -6.96306 -3.72622 18.2845 11.6302 -8.07089 15.9849 -13.8067 TIMING: 2666800 CPU: 8498.93, 0.00311999/step Wall: 8498.93, 0.00311999/step, 2.0221 hours remaining, 239.324219 MB of memory in use. ENERGY: 2666800 3958.4192 20524.6856 14500.1035 237.9372 -203591.8182 2789.3350 0.0000 0.0000 52201.1667 -109380.1709 300.0008 -161581.3377 -109028.5432 299.4986 -59.2844 -32.1932 762455.5523 11.9041 12.1166 PRESSURE: 2667000 -418.898 71.3891 -55.7485 71.3891 -188.899 -178.66 -55.7478 -178.661 37.4484 GPRESSURE: 2667000 -387.426 1.31664 -79.9328 181.308 -164.219 -211.738 -109.094 -192.604 50.7025 PRESSAVG: 2667000 25.0373 -34.7884 -35.294 -34.7884 -52.2293 30.2843 -35.294 30.2843 -14.7058 GPRESSAVG: 2667000 23.3399 -32.5634 -36.2475 -34.0475 -52.6183 32.514 -33.0636 31.7954 -12.8152 TIMING: 2667000 CPU: 8499.56, 0.00313915/step Wall: 8499.56, 0.00313915/step, 2.03434 hours remaining, 239.324219 MB of memory in use. ENERGY: 2667000 4065.4376 20504.5337 14495.8891 259.2650 -203578.4619 2833.9382 0.0000 0.0000 52176.7949 -109242.6033 299.8608 -161419.3983 -108883.0299 299.6983 -190.1163 -166.9808 762134.0847 -13.9660 -14.0312 PRESSURE: 2667200 -94.2115 -124.219 139.038 -124.219 -282.525 176.773 139.038 176.772 -578.649 GPRESSURE: 2667200 -69.8976 -177.752 115.592 -112.185 -258.749 107.323 202.534 101.653 -536.859 PRESSAVG: 2667200 37.4296 -28.5533 14.3724 -28.5533 -20.2345 51.6983 14.3724 51.6983 -6.71333 GPRESSAVG: 2667200 38.3753 -30.0117 15.5746 -31.1428 -21.04 51.224 14.2506 49.1907 -6.98845 TIMING: 2667200 CPU: 8500.19, 0.00316576/step Wall: 8500.19, 0.00316576/step, 2.05141 hours remaining, 239.324219 MB of memory in use. ENERGY: 2667200 3988.6039 20447.1230 14485.5353 246.1494 -203286.2405 2692.5648 0.0000 0.0000 52183.8895 -109242.3746 299.9015 -161426.2641 -108878.9170 299.3285 -318.4618 -288.5019 764612.3273 3.4939 3.4490 PRESSURE: 2667400 -306.581 9.68281 -48.7143 9.68283 91.635 24.6873 -48.7144 24.6867 -33.5794 GPRESSURE: 2667400 -294.699 -10.6973 -94.3175 59.7792 82.198 116.241 -58.6528 16.276 42.1851 PRESSAVG: 2667400 6.8463 -54.679 -14.0923 -54.679 -34.987 43.0503 -14.0924 43.0502 -2.69677 GPRESSAVG: 2667400 7.49285 -54.0704 -14.8329 -51.9614 -34.781 43.4166 -15.8753 42.9599 -3.84203 TIMING: 2667400 CPU: 8500.82, 0.00315409/step Wall: 8500.82, 0.00315409/step, 2.04368 hours remaining, 239.324219 MB of memory in use. ENERGY: 2667400 4017.9712 20503.6894 14553.6501 270.0073 -203236.3176 2703.8682 0.0000 0.0000 52110.2277 -109076.9038 299.4782 -161187.1314 -108719.3327 299.6232 -82.8417 -56.7721 764404.1347 -10.2792 -10.3767 PRESSURE: 2667600 160.224 -39.768 -150.523 -39.7682 317.249 81.5015 -150.524 81.5009 73.2595 GPRESSURE: 2667600 166.288 -95.3081 -136.98 -101.728 380.13 89.608 -265.732 110.52 102.479 PRESSAVG: 2667600 16.2523 -0.350616 -28.8262 -0.350671 12.2777 -4.35551 -28.8262 -4.35557 3.09586 GPRESSAVG: 2667600 16.599 -0.510288 -28.7956 -2.44371 12.2453 -4.81582 -28.1814 -5.33236 2.50713 TIMING: 2667600 CPU: 8501.44, 0.00312001/step Wall: 8501.44, 0.00312001/step, 2.02142 hours remaining, 239.324219 MB of memory in use. ENERGY: 2667600 3958.8024 20596.2984 14537.1671 236.4170 -203694.9030 2957.5106 0.0000 0.0000 52095.5349 -109313.1725 299.3938 -161408.7074 -108952.1938 299.8006 183.5775 216.2989 762157.1944 10.5420 10.4505 PRESSURE: 2667800 567.411 50.4879 264.587 50.4875 240.268 20.9073 264.586 20.907 172.823 GPRESSURE: 2667800 553.866 -35.3573 301.503 168.276 332.643 -40.9354 184.195 70.9017 190.131 PRESSAVG: 2667800 -43.5297 -27.3503 -18.5923 -27.3503 5.6605 0.211403 -18.5922 0.211481 13.7945 GPRESSAVG: 2667800 -43.1387 -28.0383 -19.6418 -25.2354 5.36112 -0.663294 -18.2006 2.91669 13.5423 TIMING: 2667800 CPU: 8502.07, 0.00313364/step Wall: 8502.07, 0.00313364/step, 2.03008 hours remaining, 239.324219 MB of memory in use. ENERGY: 2667800 3946.3512 20532.4567 14506.4567 254.8546 -203457.3793 3004.1409 0.0000 0.0000 51961.9083 -109251.2108 298.6258 -161213.1191 -108884.8174 299.4999 326.8340 358.8798 761571.6894 -8.0249 -8.0784 PRESSURE: 2668000 -134.876 -26.8753 -166.525 -26.8753 111.933 150.253 -166.524 150.254 530.572 GPRESSURE: 2668000 -48.2885 -5.31751 -164.239 -27.2407 93.3693 229.363 -155.878 131.223 559.967 PRESSAVG: 2668000 -51.6561 -31.5538 12.9881 -31.5538 7.93196 17.9603 12.9881 17.9603 8.44815 GPRESSAVG: 2668000 -52.3179 -30.2065 13.2512 -32.3953 7.54097 18.3011 14.0466 19.0404 9.28208 TIMING: 2668000 CPU: 8502.7, 0.00313608/step Wall: 8502.7, 0.00313608/step, 2.03149 hours remaining, 239.324219 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: 2668000 4004.0587 20705.6508 14491.3484 253.2285 -202967.8121 2402.8391 0.0000 0.0000 51894.7694 -109215.9173 298.2400 -161110.6867 -108862.1038 299.1392 169.2098 201.6825 761687.1167 -11.7587 -11.8316 PRESSURE: 2668200 -117.86 -119.567 217.166 -119.568 -10.9482 222.401 217.166 222.399 -43.8485 GPRESSURE: 2668200 -109.908 -136.41 248.979 -103.424 66.6459 138.761 199.038 292.649 -23.9874 PRESSAVG: 2668200 -63.7279 6.87914 28.4847 6.87911 50.0936 78.2728 28.4847 78.2728 9.91565 GPRESSAVG: 2668200 -63.9161 6.21348 28.1547 4.44302 50.487 77.4453 29.2504 75.5699 9.71296 TIMING: 2668200 CPU: 8503.33, 0.00314153/step Wall: 8503.33, 0.00314153/step, 2.03484 hours remaining, 239.324219 MB of memory in use. ENERGY: 2668200 3997.6187 20505.0967 14518.0566 254.1221 -203625.1245 2751.5461 0.0000 0.0000 52070.3326 -109528.3517 299.2489 -161598.6843 -109177.8794 299.3387 -57.5521 -22.4164 761813.8730 -1.2396 -1.2387 LDB: ============= START OF LOAD BALANCING ============== 8515.78 LDB: ============== END OF LOAD BALANCING =============== 8515.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8515.78 LDB: ============= START OF LOAD BALANCING ============== 8516.09 LDB: Largest compute 7070 load 0.033886 is 17.3% of average load 0.195327 LDB: Average compute 0.004364 is 2.2% of average load 0.195327 LDB: TIME 8516.1 LOAD: AVG 0.195327 MAX 0.213881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 8516.1 LOAD: AVG 0.195327 MAX 0.213881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 8516.1 LOAD: AVG 0.195327 MAX 0.213881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 8516.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8516.11 PRESSURE: 2668400 -53.6825 -111.481 102.267 -111.48 146.799 -75.1565 102.267 -75.1569 164.955 GPRESSURE: 2668400 21.6229 -58.0032 126.969 -61.7356 108.64 -50.9784 7.33616 22.8677 198.068 PRESSAVG: 2668400 -32.0392 -23.5162 6.93544 -23.5163 64.7912 16.8353 6.93543 16.8353 23.2344 GPRESSAVG: 2668400 -33.3902 -22.2434 5.68307 -20.6134 66.1127 17.9602 6.32285 17.0565 23.2075 TIMING: 2668400 CPU: 8503.97, 0.0032148/step Wall: 8503.97, 0.0032148/step, 2.08212 hours remaining, 240.605469 MB of memory in use. ENERGY: 2668400 3974.7478 20333.8228 14554.8124 246.0376 -203540.9986 2885.0814 0.0000 0.0000 52078.8208 -109467.6757 299.2977 -161546.4965 -109101.0489 299.0985 86.0238 109.4435 762077.3046 18.6621 18.6434 PRESSURE: 2668600 -25.063 -88.9142 12.2655 -88.9138 -221.971 43.6668 12.2653 43.6667 -154.792 GPRESSURE: 2668600 -38.2856 -202.38 76.019 -145.446 -142.787 73.222 19.3301 90.0895 -167.099 PRESSAVG: 2668600 44.5127 -32.7685 -32.4523 -32.7685 -86.5919 -22.2127 -32.4524 -22.2128 -4.07039 GPRESSAVG: 2668600 45.6761 -32.1805 -29.1097 -36.8408 -88.272 -21.6612 -33.4873 -21.6031 -4.15452 TIMING: 2668600 CPU: 8504.6, 0.00316379/step Wall: 8504.6, 0.00316379/step, 2.04891 hours remaining, 240.675781 MB of memory in use. ENERGY: 2668600 4049.8250 20528.5347 14555.3533 243.1561 -203663.0942 2758.0207 0.0000 0.0000 51860.7901 -109667.4143 298.0447 -161528.2044 -109312.7382 299.0051 -133.9422 -116.0572 762525.5774 -15.3832 -15.5835 PRESSURE: 2668800 277.805 14.6571 181.562 14.6566 68.7416 167.107 181.562 167.107 102.175 GPRESSURE: 2668800 258.684 -56.578 143.431 14.1949 116.093 92.2273 136.704 196.662 137.855 PRESSAVG: 2668800 29.3246 -45.2737 -22.5934 -45.2737 -2.55305 -41.2029 -22.5934 -41.2029 -9.18947 GPRESSAVG: 2668800 28.58 -45.3605 -24.6972 -44.9789 -1.37024 -41.7941 -21.0226 -40.4343 -9.24983 TIMING: 2668800 CPU: 8505.23, 0.00315755/step Wall: 8505.23, 0.00315755/step, 2.04469 hours remaining, 240.675781 MB of memory in use. ENERGY: 2668800 4004.6228 20416.3316 14501.6826 261.3638 -203914.4087 2880.6116 0.0000 0.0000 52150.2166 -109699.5797 299.7080 -161849.7962 -109326.6211 298.5685 149.5741 170.8771 762063.0018 5.8607 5.9866 PRESSURE: 2669000 422.79 19.6097 -8.14812 19.6096 -195.383 23.3575 -8.14812 23.3577 51.0882 GPRESSURE: 2669000 504.728 1.94492 -100.829 -4.57334 -177.012 98.1815 -33.8878 -16.8497 44.0779 PRESSAVG: 2669000 110.905 -46.5316 43.9429 -46.5316 -63.1931 8.57598 43.9429 8.57604 16.936 GPRESSAVG: 2669000 111.701 -46.4041 45.2128 -44.0348 -63.8497 8.61321 43.4463 6.39065 17.0265 TIMING: 2669000 CPU: 8505.86, 0.00314122/step Wall: 8505.86, 0.00314122/step, 2.03394 hours remaining, 240.675781 MB of memory in use. ENERGY: 2669000 3937.6321 20529.9047 14634.9138 248.4428 -203504.8138 2733.5538 0.0000 0.0000 52048.3128 -109372.0538 299.1224 -161420.3666 -109016.5737 299.6029 92.8318 123.9315 761649.5497 21.5492 21.6260 PRESSURE: 2669200 -91.1823 -136.572 -106.409 -136.573 14.5048 64.4176 -106.409 64.4174 -60.371 GPRESSURE: 2669200 -67.1107 -197.231 -49.9526 -142.18 49.1253 153.594 67.1305 73.9467 -23.2323 PRESSAVG: 2669200 68.8433 -3.31323 -1.89631 -3.31322 -69.8148 -5.66448 -1.89628 -5.66445 9.05895 GPRESSAVG: 2669200 67.3969 -4.46358 -1.84471 -4.84438 -68.8931 -5.72498 -3.31693 -4.56384 9.24107 TIMING: 2669200 CPU: 8506.49, 0.00315283/step Wall: 8506.49, 0.00315283/step, 2.04128 hours remaining, 240.675781 MB of memory in use. ENERGY: 2669200 4019.4001 20606.8334 14510.6757 261.4381 -203412.4916 2683.5677 0.0000 0.0000 51867.8183 -109462.7582 298.0851 -161330.5765 -109104.1619 299.3133 -45.6828 -13.7393 762970.0025 2.6958 2.5816 PRESSURE: 2669400 -98.8276 -186.367 -136.102 -186.367 38.4501 181.827 -136.102 181.828 43.829 GPRESSURE: 2669400 67.8605 -183.286 -80.3002 -190.239 33.7177 242.168 -142.349 189.845 -8.63998 PRESSAVG: 2669400 15.5402 -45.2616 -20.4609 -45.2616 -25.8451 24.1375 -20.461 24.1376 -0.711179 GPRESSAVG: 2669400 16.1527 -43.6704 -20.3795 -45.1549 -26.3238 24.2373 -20.255 24.1116 0.113914 TIMING: 2669400 CPU: 8507.12, 0.00314541/step Wall: 8507.12, 0.00314541/step, 2.0363 hours remaining, 240.675781 MB of memory in use. ENERGY: 2669400 4039.1075 20523.6531 14542.7843 224.2447 -204214.8408 3155.7061 0.0000 0.0000 52316.1391 -109413.2061 300.6616 -161729.3451 -109051.9054 298.7538 -5.5162 30.9794 763112.3085 -3.6721 -3.3524 PRESSURE: 2669600 -113.136 6.40694 -295.558 6.40743 520.146 79.9717 -295.558 79.9727 -252.17 GPRESSURE: 2669600 -144.015 -43.9396 -185.578 -26.7828 532.487 27.114 -319.219 -15.8645 -161.495 PRESSAVG: 2669600 51.6516 -33.8301 -19.5029 -33.8301 -24.8551 40.233 -19.5029 40.2331 -6.48614 GPRESSAVG: 2669600 52.1135 -36.3806 -19.4531 -33.8655 -23.4528 39.0556 -17.7872 41.4909 -8.23822 TIMING: 2669600 CPU: 8507.75, 0.00313787/step Wall: 8507.75, 0.00313787/step, 2.03125 hours remaining, 240.675781 MB of memory in use. ENERGY: 2669600 4006.1055 20507.7125 14577.0230 243.3718 -203570.9907 2868.3388 0.0000 0.0000 52077.5718 -109290.8674 299.2905 -161368.4391 -108927.0735 299.6690 51.6133 75.6590 763250.3182 6.7701 6.8075 PRESSURE: 2669800 135.657 -97.1469 -149.221 -97.1469 -69.7684 -95.1999 -149.221 -95.1996 25.9157 GPRESSURE: 2669800 103.471 -83.6465 -158.111 -73.1874 12.1583 -136.161 -278.132 -168.792 38.5451 PRESSAVG: 2669800 -22.4479 -33.964 -18.2353 -33.964 22.8557 44.5867 -18.2353 44.5867 23.9233 GPRESSAVG: 2669800 -22.9954 -34.1789 -19.3845 -33.8485 21.8544 45.1575 -18.384 43.2535 24.9955 TIMING: 2669800 CPU: 8508.38, 0.00314166/step Wall: 8508.38, 0.00314166/step, 2.03353 hours remaining, 240.675781 MB of memory in use. ENERGY: 2669800 3926.7627 20565.9918 14587.4846 236.4228 -203532.1644 2748.8806 0.0000 0.0000 52165.0550 -109301.5670 299.7933 -161466.6219 -108934.7053 299.4670 30.6014 51.3914 762904.2987 8.1104 7.9515 PRESSURE: 2670000 -91.1992 -11.7813 -55.2255 -11.7809 -3.21131 -39.9992 -55.2259 -40.0001 -53.7234 GPRESSURE: 2670000 -24.4351 -2.86431 38.6707 29.3536 76.7418 -86.1744 -85.8798 -62.4136 -119.048 PRESSAVG: 2670000 40.2392 -46.3251 20.7689 -46.3251 -32.7622 5.15276 20.7689 5.15277 -27.5194 GPRESSAVG: 2670000 40.8385 -44.8891 21.5572 -46.6431 -33.0043 5.43856 19.1649 6.46565 -28.0256 TIMING: 2670000 CPU: 8509.01, 0.00315078/step Wall: 8509.01, 0.00315078/step, 2.03926 hours remaining, 240.675781 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: 2670000 3975.7326 20425.0177 14623.0032 232.1035 -203531.5063 2704.3029 0.0000 0.0000 51990.5480 -109580.7984 298.7904 -161571.3464 -109205.6236 299.2200 -49.3780 -22.2469 761245.7305 -6.6808 -6.7304 PRESSURE: 2670200 41.8619 -55.0608 156.161 -55.0605 -36.2962 202.234 156.161 202.234 -29.961 GPRESSURE: 2670200 27.5146 -36.2198 200.292 -104.278 60.4665 145.104 9.93534 120.831 -28.8574 PRESSAVG: 2670200 -20.6524 -52.1982 6.68912 -52.1981 12.7928 74.0333 6.68913 74.0333 22.768 GPRESSAVG: 2670200 -20.2139 -51.8197 7.16594 -53.2785 12.7901 72.758 8.1405 72.5232 22.6224 TIMING: 2670200 CPU: 8509.64, 0.00316283/step Wall: 8509.64, 0.00316283/step, 2.04688 hours remaining, 240.675781 MB of memory in use. ENERGY: 2670200 3910.7745 20569.0305 14660.3252 284.6920 -203347.4409 2669.7706 0.0000 0.0000 51823.5339 -109429.3141 297.8306 -161252.8481 -109058.9740 298.8110 -8.1318 19.7079 762475.1420 4.9695 5.0662 PRESSURE: 2670400 11.7016 -192.252 51.3427 -192.252 97.0787 118.697 51.3431 118.697 196.99 GPRESSURE: 2670400 38.6208 -122.929 19.8612 -106.799 173.963 39.0829 88.0584 45.4228 175.562 PRESSAVG: 2670400 -11.943 -51.8457 -8.9561 -51.8456 15.7464 31.4788 -8.95613 31.4788 -29.1778 GPRESSAVG: 2670400 -12.5466 -51.6966 -10.0296 -49.8396 15.4128 32.9889 -8.66104 31.638 -28.1498 TIMING: 2670400 CPU: 8510.27, 0.00313375/step Wall: 8510.27, 0.00313375/step, 2.02789 hours remaining, 240.675781 MB of memory in use. ENERGY: 2670400 3918.1955 20610.3338 14656.8455 228.7711 -203430.4309 2656.9395 0.0000 0.0000 52038.5162 -109320.8294 299.0661 -161359.3456 -108958.2946 298.9568 101.9233 129.3819 763231.2644 -8.4581 -8.4279 PRESSURE: 2670600 209.792 -51.2991 46.9698 -51.2999 517.545 121.977 46.97 121.978 -36.4376 GPRESSURE: 2670600 301.359 -23.9743 -4.25052 61.915 517.014 250.646 -48.0906 191.922 -33.2554 PRESSAVG: 2670600 -19.5109 -99.8271 -14.0897 -99.827 26.234 -10.9481 -14.0897 -10.948 39.0299 GPRESSAVG: 2670600 -19.8046 -98.8159 -13.7492 -99.8737 27.4716 -11.0385 -16.1001 -10.0653 38.4299 TIMING: 2670600 CPU: 8510.9, 0.00314504/step Wall: 8510.9, 0.00314504/step, 2.03501 hours remaining, 240.675781 MB of memory in use. ENERGY: 2670600 3948.4115 20419.0109 14532.4809 250.4711 -203812.8573 3146.0084 0.0000 0.0000 51860.4816 -109655.9929 298.0429 -161516.4745 -109300.9307 298.6514 230.2998 261.7059 760056.1558 15.2510 15.3656 PRESSURE: 2670800 152.565 -63.7309 223.094 -63.7312 4.65018 -157.385 223.095 -157.386 -63.1835 GPRESSURE: 2670800 114.263 3.38051 123.481 -96.9114 80.073 -145.51 441.983 -67.4413 -13.6098 PRESSAVG: 2670800 -0.940331 -58.0594 -5.22293 -58.0594 22.4237 30.9674 -5.2229 30.9674 3.54497 GPRESSAVG: 2670800 -1.02051 -61.1545 -6.08594 -58.1199 22.3617 32.2301 -3.97567 29.7446 3.68764 TIMING: 2670800 CPU: 8511.53, 0.00315322/step Wall: 8511.53, 0.00315322/step, 2.04013 hours remaining, 240.675781 MB of memory in use. ENERGY: 2670800 4028.7685 20585.1894 14548.2161 252.7001 -203272.8364 2688.3883 0.0000 0.0000 51781.2210 -109388.3531 297.5874 -161169.5741 -109040.6228 298.8792 31.3439 60.2421 760927.6160 8.3428 8.3429 PRESSURE: 2671000 7.43706 52.3093 -43.4524 52.3095 -113.485 -189.933 -43.4526 -189.933 -385.182 GPRESSURE: 2671000 14.8779 -44.2893 95.2151 92.7128 -112.724 -199.471 -37.5344 -170.936 -321.932 PRESSAVG: 2671000 -19.4907 -10.4404 17.0926 -10.4404 35.2968 -2.1847 17.0926 -2.18468 -22.6255 GPRESSAVG: 2671000 -19.9705 -11.1718 18.6439 -9.29873 35.4801 -3.87379 18.5843 -2.05781 -22.7374 TIMING: 2671000 CPU: 8512.15, 0.00312185/step Wall: 8512.15, 0.00312185/step, 2.01966 hours remaining, 240.675781 MB of memory in use. ENERGY: 2671000 4081.4672 20630.7751 14549.3431 251.8937 -203477.6035 2592.0796 0.0000 0.0000 51998.6309 -109373.4141 298.8368 -161372.0450 -109012.5750 298.9566 -163.7433 -139.9258 761648.6530 -2.2731 -2.4093 PRESSURE: 2671200 -167.774 -22.9583 -110.149 -22.9571 124.521 -189.004 -110.149 -189.003 191.967 GPRESSURE: 2671200 -92.4689 -69.7548 40.6218 -134.204 131.124 -128.289 -194.14 -61.2225 193.984 PRESSAVG: 2671200 -7.27246 -43.0997 -4.85906 -43.0998 20.2172 -12.4424 -4.85909 -12.4424 -1.56228 GPRESSAVG: 2671200 -6.1206 -42.8397 -5.82343 -41.7474 18.1444 -11.761 -7.4453 -14.0296 -1.09057 TIMING: 2671200 CPU: 8512.78, 0.00312606/step Wall: 8512.78, 0.00312606/step, 2.02221 hours remaining, 240.675781 MB of memory in use. ENERGY: 2671200 4001.1100 20533.5351 14528.2512 240.3684 -203259.4380 2606.5065 0.0000 0.0000 51649.2360 -109700.4309 296.8289 -161349.6669 -109358.9132 298.8652 49.5715 77.5463 762393.8266 3.7941 3.6444 PRESSURE: 2671400 -137.689 -94.4428 244.527 -94.4429 -50.4857 66.8969 244.527 66.8963 -7.87795 GPRESSURE: 2671400 -68.8065 -134.761 241.578 -99.8157 -51.298 73.3322 57.3535 74.169 -0.324334 PRESSAVG: 2671400 29.0622 10.9374 0.803857 10.9373 -8.97641 12.1419 0.803824 12.142 0.692067 GPRESSAVG: 2671400 28.525 11.9661 0.566333 8.82293 -7.69363 12.9441 1.05347 13.6945 0.218676 TIMING: 2671400 CPU: 8513.4, 0.00314269/step Wall: 8513.4, 0.00314269/step, 2.0328 hours remaining, 240.675781 MB of memory in use. ENERGY: 2671400 3959.7177 20498.3441 14487.3220 263.3825 -203402.3943 2434.4613 0.0000 0.0000 52113.9953 -109645.1714 299.4998 -161759.1667 -109287.8250 298.2777 -65.3510 -40.1429 761672.7497 6.9259 7.0167 PRESSURE: 2671600 -213.857 203.653 -379.151 203.652 -97.7469 -38.2538 -379.152 -38.2534 417.48 GPRESSURE: 2671600 -104.23 61.7551 -431.691 212.146 -31.3231 -65.7284 -258.974 -10.8691 334.931 PRESSAVG: 2671600 29.1576 -43.9341 3.83238 -43.9341 -37.5423 -3.99907 3.83238 -3.99916 8.67929 GPRESSAVG: 2671600 29.1567 -44.7456 3.66514 -42.0073 -36.6115 -4.22844 4.87703 -3.92784 8.64139 TIMING: 2671600 CPU: 8514.03, 0.00314563/step Wall: 8514.03, 0.00314563/step, 2.03452 hours remaining, 240.675781 MB of memory in use. ENERGY: 2671600 3938.8262 20416.1445 14535.7427 256.8132 -203572.5476 2742.4258 0.0000 0.0000 52072.0511 -109610.5440 299.2588 -161682.5951 -109244.1981 298.7748 35.2921 66.4592 761551.6182 0.0982 0.3955 PRESSURE: 2671800 5.81641 -56.2751 -45.902 -56.2752 98.7811 58.9877 -45.9013 58.9868 93.0468 GPRESSURE: 2671800 106.297 -58.3949 -27.8266 -36.3656 65.398 84.8317 -110.659 108.983 84.1637 PRESSAVG: 2671800 -9.30526 5.24131 43.152 5.2413 17.178 4.97825 43.152 4.9782 -39.928 GPRESSAVG: 2671800 -9.64557 4.99935 44.1209 6.50896 16.6726 1.97829 42.8514 4.24273 -39.5247 TIMING: 2671800 CPU: 8514.66, 0.00313976/step Wall: 8514.66, 0.00313976/step, 2.03055 hours remaining, 240.675781 MB of memory in use. ENERGY: 2671800 3963.8569 20542.5371 14447.1249 246.6922 -203332.9121 2641.7996 0.0000 0.0000 51923.3126 -109567.5889 298.4040 -161490.9014 -109202.4230 299.0112 65.8814 85.2863 761506.2076 -10.6851 -10.8326 PRESSURE: 2672000 230.895 100.416 -230.052 100.416 -152.723 -164.809 -230.052 -164.809 206.534 GPRESSURE: 2672000 199.944 89.1038 -179.002 -91.3457 -51.0433 -156.984 -206.86 -5.18004 223.109 PRESSAVG: 2672000 47.8535 -67.4695 -3.87899 -67.4695 -10.9013 -33.6961 -3.87899 -33.6961 13.5024 GPRESSAVG: 2672000 45.6264 -63.2807 -5.89348 -71.334 -9.07783 -33.7584 -3.52677 -30.8828 13.252 TIMING: 2672000 CPU: 8515.29, 0.00312239/step Wall: 8515.29, 0.00312239/step, 2.01914 hours remaining, 240.675781 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: 2672000 3955.3267 20630.5292 14530.9261 232.6061 -203922.9697 3063.7988 0.0000 0.0000 52056.5259 -109453.2569 299.1696 -161509.7828 -109092.9138 298.5748 94.9019 124.0032 761151.9346 16.8182 16.6002 PRESSURE: 2672200 -139.982 -75.7166 3.06928 -75.7175 -350.107 255.096 3.06992 255.096 142.661 GPRESSURE: 2672200 -123.692 14.4987 -18.1137 -51.872 -350.708 227.348 39.8439 96.7246 208.274 PRESSAVG: 2672200 -2.7843 1.96842 23.4368 1.96841 -43.5994 -9.93396 23.4369 -9.93393 -2.20818 GPRESSAVG: 2672200 -0.388529 -0.0957851 22.786 5.82212 -45.3747 -9.22141 23.4857 -11.9843 -3.39863 TIMING: 2672200 CPU: 8515.91, 0.00312821/step Wall: 8515.91, 0.00312821/step, 2.02273 hours remaining, 240.675781 MB of memory in use. ENERGY: 2672200 4061.1239 20609.6723 14511.6894 243.6997 -203666.7667 2714.7732 0.0000 0.0000 52130.6972 -109395.1109 299.5958 -161525.8081 -109029.9817 299.0533 -115.8095 -88.7086 762192.3874 -16.1973 -16.3873 LDB: ============= START OF LOAD BALANCING ============== 8528.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8528.37 LDB: =============== DONE WITH MIGRATION ================ 8528.37 LDB: ============= START OF LOAD BALANCING ============== 8528.69 LDB: Largest compute 7038 load 0.036643 is 18.8% of average load 0.195397 LDB: Average compute 0.004401 is 2.3% of average load 0.195397 LDB: TIME 8528.69 LOAD: AVG 0.195397 MAX 0.215217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 8528.69 LOAD: AVG 0.195397 MAX 0.215217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: TIME 8528.69 LOAD: AVG 0.195397 MAX 0.215217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: ============== END OF LOAD BALANCING =============== 8528.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8528.7 PRESSURE: 2672400 -92.959 53.5174 -33.4162 53.517 156.036 156.533 -33.4163 156.534 -187.47 GPRESSURE: 2672400 -86.9938 -26.1642 -20.4098 -30.822 171.06 194.515 -36.4966 155.315 -117.913 PRESSAVG: 2672400 2.94524 -54.0262 8.87338 -54.0262 9.82196 -10.5337 8.87335 -10.5335 7.86997 GPRESSAVG: 2672400 2.59503 -55.8503 9.75625 -55.7987 9.70367 -8.86502 9.19321 -13.6585 8.01345 TIMING: 2672400 CPU: 8516.56, 0.00324319/step Wall: 8516.56, 0.00324319/step, 2.0969 hours remaining, 239.632812 MB of memory in use. ENERGY: 2672400 4109.2717 20281.7929 14548.7621 249.3560 -203753.0561 2996.2979 0.0000 0.0000 52362.7574 -109204.8181 300.9295 -161567.5756 -108834.0259 299.5856 -41.4642 -11.2821 761980.7079 6.8791 6.7707 PRESSURE: 2672600 -88.8833 275.258 159.847 275.259 -214.542 127.351 159.847 127.351 -3.55452 GPRESSURE: 2672600 -68.9882 116.586 158.64 279.64 -104.227 34.061 143.715 135.69 -64.079 PRESSAVG: 2672600 13.8139 -45.9267 32.9577 -45.9267 2.37722 2.98193 32.9576 2.98202 4.26664 GPRESSAVG: 2672600 13.7745 -44.9736 32.3713 -47.7615 2.78819 2.30782 32.2897 5.32353 4.22302 TIMING: 2672600 CPU: 8517.2, 0.00318368/step Wall: 8517.2, 0.00318368/step, 2.05825 hours remaining, 239.632812 MB of memory in use. ENERGY: 2672600 4030.4776 20419.7264 14595.6743 241.1851 -203057.9605 2580.1301 0.0000 0.0000 51988.4948 -109202.2723 298.7786 -161190.7670 -108836.2561 299.7580 -102.3265 -79.0980 761617.5109 6.8193 6.9286 PRESSURE: 2672800 33.0028 92.3394 54.6522 92.3393 -337.423 79.7193 54.6528 79.7188 83.3137 GPRESSURE: 2672800 136.37 137.955 2.06135 97.794 -345.255 -71.1675 17.286 232.771 91.2092 PRESSAVG: 2672800 89.1688 -46.2057 7.83891 -46.2057 -52.1321 70.8378 7.83884 70.8378 5.20177 GPRESSAVG: 2672800 88.6128 -47.7126 8.81297 -43.5707 -51.9917 70.0345 6.68529 73.8786 5.77799 TIMING: 2672800 CPU: 8517.83, 0.00316406/step Wall: 8517.83, 0.00316406/step, 2.04539 hours remaining, 239.632812 MB of memory in use. ENERGY: 2672800 4053.4435 20542.4194 14613.7530 250.1395 -202783.4990 2316.6235 0.0000 0.0000 52057.2317 -108949.8885 299.1736 -161007.1201 -108585.5355 299.7258 -73.7020 -39.2253 762615.3921 14.0795 14.1330 PRESSURE: 2673000 190.062 -138.425 279.834 -138.426 131.106 98.4323 279.835 98.433 -96.7278 GPRESSURE: 2673000 185.291 -215.465 305.916 -102.204 146.783 80.9838 196.621 101.175 -27.4123 PRESSAVG: 2673000 17.3008 -67.3112 57.9426 -67.3111 -23.8907 51.1874 57.9426 51.1873 -18.0289 GPRESSAVG: 2673000 17.0301 -66.3326 58.1614 -66.5496 -23.4712 52.1116 57.1102 49.4465 -17.59 TIMING: 2673000 CPU: 8518.46, 0.00315446/step Wall: 8518.46, 0.00315446/step, 2.03901 hours remaining, 239.632812 MB of memory in use. ENERGY: 2673000 3914.3370 20578.3862 14551.6653 251.5344 -203091.2823 2793.1281 0.0000 0.0000 52115.4912 -108886.7401 299.5084 -161002.2313 -108520.7460 299.5643 74.8134 101.5539 764112.7885 -8.2063 -8.0103 PRESSURE: 2673200 -4.80335 12.2897 -134.043 12.2901 -161.982 -184.831 -134.042 -184.831 95.5049 GPRESSURE: 2673200 -23.7524 -100.558 -178.171 50.6378 -96.2187 -225.785 -123.215 -157.231 124.588 PRESSAVG: 2673200 40.1421 -79.6228 15.0667 -79.6228 -81.679 -5.1856 15.0667 -5.18559 -5.91555 GPRESSAVG: 2673200 40.3469 -80.7635 16.089 -80.2496 -81.581 -3.22373 16.131 -6.60751 -6.10876 TIMING: 2673200 CPU: 8519.1, 0.00317087/step Wall: 8519.1, 0.00317087/step, 2.04944 hours remaining, 239.632812 MB of memory in use. ENERGY: 2673200 3977.1845 20554.7753 14574.1299 270.4161 -203210.2006 2703.5058 0.0000 0.0000 52090.6118 -109039.5771 299.3655 -161130.1889 -108675.4928 299.5896 -23.7603 1.5389 763287.2819 -15.8175 -15.7810 PRESSURE: 2673400 292.487 -53.6859 -139.629 -53.6852 278.442 -32.1939 -139.629 -32.1934 155.657 GPRESSURE: 2673400 262.606 -12.2974 -177.574 31.7369 349.059 39.7281 -59.8139 -66.3695 217.098 PRESSAVG: 2673400 -6.74607 -20.9726 43.0508 -20.9725 -46.4892 20.8854 43.0508 20.8854 -7.13804 GPRESSAVG: 2673400 -7.80702 -19.4646 40.8738 -22.1838 -45.7845 18.4823 43.2855 22.4489 -6.97727 TIMING: 2673400 CPU: 8519.72, 0.00314145/step Wall: 8519.72, 0.00314145/step, 2.03025 hours remaining, 239.632812 MB of memory in use. ENERGY: 2673400 3959.6107 20558.2768 14518.9336 233.1352 -203521.4235 2864.1273 0.0000 0.0000 52078.0404 -109309.2996 299.2932 -161387.3400 -108951.2408 299.5898 242.1950 276.2543 761322.4571 -20.1244 -20.1896 PRESSURE: 2673600 183.432 23.6896 -1.79983 23.69 -142.422 109.687 -1.80077 109.688 -289.191 GPRESSURE: 2673600 141.695 -25.9898 25.6782 -70.5348 -143.923 92.8182 102.347 59.0742 -152.475 PRESSAVG: 2673600 -4.3791 -39.6613 -23.7576 -39.6612 -36.6741 16.4401 -23.7576 16.4401 0.170919 GPRESSAVG: 2673600 -3.39082 -39.1472 -23.6554 -41.9816 -38.0199 17.4952 -23.0916 16.8557 0.323666 TIMING: 2673600 CPU: 8520.35, 0.00314031/step Wall: 8520.35, 0.00314031/step, 2.02934 hours remaining, 239.632812 MB of memory in use. ENERGY: 2673600 4022.3439 20497.4253 14584.9893 250.0600 -203039.2155 2466.9212 0.0000 0.0000 52111.3535 -109106.1222 299.4847 -161217.4757 -108741.5227 299.1539 -82.7271 -51.5675 762990.2609 -13.6274 -13.6957 PRESSURE: 2673800 30.8574 -45.3567 -105.366 -45.3556 -391.275 -11.4705 -105.366 -11.4714 -137.681 GPRESSURE: 2673800 139.41 57.6792 -104.335 -6.69568 -454.311 -74.697 -104.888 38.6761 -94.2223 PRESSAVG: 2673800 63.1508 51.4229 23.1068 51.4229 -66.0993 31.9756 23.1067 31.9757 0.187425 GPRESSAVG: 2673800 63.2434 49.9899 23.7392 54.0543 -65.8743 32.3026 22.0139 31.6061 -0.112585 TIMING: 2673800 CPU: 8520.98, 0.00314287/step Wall: 8520.98, 0.00314287/step, 2.03082 hours remaining, 239.632812 MB of memory in use. ENERGY: 2673800 3963.7633 20655.3724 14538.4332 251.8404 -203060.9551 2445.7487 0.0000 0.0000 52141.4105 -109064.3866 299.6574 -161205.7971 -108703.8309 299.7220 -166.0328 -136.3743 763000.8653 -0.9203 -0.9145 PRESSURE: 2674000 -156.49 0.30853 3.51327 0.308002 -283.349 257.942 3.51313 257.942 -307.214 GPRESSURE: 2674000 -176.55 7.63052 45.6587 58.8229 -199.259 218.044 -20.1458 381.367 -271.553 PRESSAVG: 2674000 66.6154 25.769 -11.324 25.7691 -1.74314 -19.7204 -11.324 -19.7203 29.4159 GPRESSAVG: 2674000 65.6606 28.0175 -10.8297 26.3339 -1.60408 -19.3233 -10.624 -19.1403 30.0101 TIMING: 2674000 CPU: 8521.61, 0.00313484/step Wall: 8521.61, 0.00313484/step, 2.02546 hours remaining, 239.632812 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: 2674000 4077.4505 20634.8916 14548.9050 242.6918 -203303.9289 2561.1016 0.0000 0.0000 52301.9360 -108936.9524 300.5799 -161238.8884 -108573.5481 299.8989 -249.0175 -215.7872 761787.9690 31.4294 31.3555 PRESSURE: 2674200 244.424 -8.96746 128.384 -8.9672 185.788 -65.6855 128.384 -65.6849 204.985 GPRESSURE: 2674200 404.637 59.5012 112.455 96.7529 154.842 -81.4139 125.756 -139.81 159.459 PRESSAVG: 2674200 20.1616 -1.6857 7.89837 -1.68576 -9.38497 7.88644 7.89833 7.88646 -4.95229 GPRESSAVG: 2674200 20.0652 -3.18823 7.94916 -4.63477 -8.3712 7.12284 6.1192 7.91002 -6.25599 TIMING: 2674200 CPU: 8522.24, 0.00314668/step Wall: 8522.24, 0.00314668/step, 2.03293 hours remaining, 239.632812 MB of memory in use. ENERGY: 2674200 4026.7277 20604.1064 14531.7282 242.3040 -203130.5904 2731.0247 0.0000 0.0000 52150.3841 -108844.3153 299.7090 -160994.6994 -108477.4576 300.4286 211.7326 239.6459 762952.4584 1.9415 1.8127 PRESSURE: 2674400 -454.915 -138.193 -107.151 -138.193 -311.238 -127.233 -107.15 -127.232 -286.762 GPRESSURE: 2674400 -461.69 -187.381 -41.4008 -81.0543 -258.032 -116.767 -138.018 0.607577 -256.402 PRESSAVG: 2674400 -11.9861 -41.9465 34.5798 -41.9465 1.44836 12.6521 34.5798 12.6521 -10.8934 GPRESSAVG: 2674400 -12.1859 -41.9226 35.2028 -39.7822 0.0497672 12.9085 35.1785 9.66697 -8.95784 TIMING: 2674400 CPU: 8522.87, 0.00315391/step Wall: 8522.87, 0.00315391/step, 2.03742 hours remaining, 239.632812 MB of memory in use. ENERGY: 2674400 4092.6675 20448.7861 14516.1837 230.3660 -202921.3865 2509.8274 0.0000 0.0000 52120.1498 -109003.4060 299.5352 -161123.5558 -108638.7666 299.8049 -350.9715 -325.3748 763702.0093 -7.1437 -7.0313 PRESSURE: 2674600 198.425 74.7389 -89.8455 74.7394 -30.7385 -40.9761 -89.8457 -40.9761 170.094 GPRESSURE: 2674600 254.415 -36.2492 -59.0134 -67.3438 -43.8718 83.0389 -85.5944 -91.5359 222.002 PRESSAVG: 2674600 61.5656 7.67754 -21.9678 7.67753 -36.9052 -0.923243 -21.9678 -0.9233 -7.16718 GPRESSAVG: 2674600 62.6719 6.89962 -23.9471 9.21671 -37.3742 -0.297425 -20.2102 1.46431 -8.63697 TIMING: 2674600 CPU: 8523.5, 0.00315842/step Wall: 8523.5, 0.00315842/step, 2.04016 hours remaining, 239.632812 MB of memory in use. ENERGY: 2674600 4054.2537 20371.5457 14588.5742 247.6082 -203251.1489 2802.8117 0.0000 0.0000 52202.2950 -108984.0605 300.0073 -161186.3555 -108621.8081 299.9166 112.5934 144.1819 761669.3496 5.8311 5.5536 PRESSURE: 2674800 -133.33 -270.687 36.6911 -270.688 -284.136 12.2541 36.6915 12.2548 97.1879 GPRESSURE: 2674800 -105.646 -246.007 15.5675 -249.688 -250.469 -20.8262 -60.5468 -31.9425 144.758 PRESSAVG: 2674800 92.2355 -47.7353 -27.2748 -47.7353 -120.427 21.6775 -27.2748 21.6775 11.4189 GPRESSAVG: 2674800 90.9088 -48.0084 -26.583 -48.5421 -119.181 19.5749 -29.0856 22.9348 11.7691 TIMING: 2674800 CPU: 8524.13, 0.00315757/step Wall: 8524.13, 0.00315757/step, 2.03944 hours remaining, 239.632812 MB of memory in use. ENERGY: 2674800 3973.9852 20548.5883 14521.7770 272.0406 -202850.7812 2525.6535 0.0000 0.0000 51951.9206 -109056.8159 298.5684 -161008.7365 -108715.3485 299.7164 -106.7595 -70.4525 764168.7170 -5.5909 -5.5010 PRESSURE: 2675000 -243.75 -100.058 -139.51 -100.058 -449.82 143.741 -139.51 143.742 -69.2371 GPRESSURE: 2675000 -134.887 -26.8932 -113.502 79.9644 -412.628 56.5389 1.32823 123.795 -143.948 PRESSAVG: 2675000 42.5794 -57.7515 -24.2399 -57.7514 -33.1647 41.7606 -24.2399 41.7606 -23.8723 GPRESSAVG: 2675000 44.5085 -57.1767 -24.3083 -55.7419 -33.6748 42.4988 -23.6303 42.9678 -25.1624 TIMING: 2675000 CPU: 8524.76, 0.00315663/step Wall: 8524.76, 0.00315663/step, 2.03866 hours remaining, 239.632812 MB of memory in use. ENERGY: 2675000 3923.2444 20419.0652 14520.6552 245.8714 -202915.8775 2344.4756 0.0000 0.0000 52148.5983 -109313.9674 299.6987 -161462.5658 -108946.4054 299.7046 -254.2689 -230.4877 761628.5255 -4.8192 -4.7762 PRESSURE: 2675200 -23.5526 -65.286 47.0861 -65.2854 -402.942 -43.645 47.0864 -43.6459 -329.157 GPRESSURE: 2675200 -25.3084 -37.1281 -9.12614 -29.6573 -315.062 41.5725 32.4624 -19.2098 -325.867 PRESSAVG: 2675200 64.9766 -64.9015 27.9569 -64.9014 -16.8167 -2.60234 27.9569 -2.60237 7.36856 GPRESSAVG: 2675200 63.7236 -65.9335 27.1643 -66.6424 -17.6225 -2.29129 30.2915 -5.48265 8.57949 TIMING: 2675200 CPU: 8525.39, 0.00313829/step Wall: 8525.39, 0.00313829/step, 2.02664 hours remaining, 239.632812 MB of memory in use. ENERGY: 2675200 3926.3642 20400.7706 14578.9964 247.1288 -203120.9731 2573.0718 0.0000 0.0000 52034.6860 -109359.9553 299.0441 -161394.6413 -109004.6120 299.0742 -251.8841 -222.0792 761400.0663 18.5095 18.2268 PRESSURE: 2675400 60.8215 -60.56 -263.64 -60.5604 95.9579 -135.397 -263.639 -135.396 -247.041 GPRESSURE: 2675400 162.729 -10.273 -250.09 -126.661 23.1692 -125.509 -162.328 -121.363 -214.369 PRESSAVG: 2675400 13.6103 -74.0174 21.969 -74.0174 19.0899 12.7678 21.969 12.7678 3.0441 GPRESSAVG: 2675400 13.0291 -70.5161 22.8072 -75.5187 20.0709 12.1794 20.4556 13.9376 2.62593 TIMING: 2675400 CPU: 8526.02, 0.00314064/step Wall: 8526.02, 0.00314064/step, 2.02798 hours remaining, 239.632812 MB of memory in use. ENERGY: 2675400 3962.1436 20410.5461 14582.1381 245.8928 -203133.5902 2638.0973 0.0000 0.0000 51928.0342 -109366.7380 298.4311 -161294.7722 -109002.9841 299.2269 -30.0873 -9.4904 761140.2106 11.9148 11.9087 PRESSURE: 2675600 -68.5786 -314.395 -35.1233 -314.394 -61.7646 80.0291 -35.1233 80.0288 -191.857 GPRESSURE: 2675600 -5.63388 -291.532 -232.365 -286.237 -95.5177 8.13412 -35.336 103.57 -122.318 PRESSAVG: 2675600 38.9468 -55.3846 49.3751 -55.3846 16.722 40.4967 49.3752 40.4967 -15.6195 GPRESSAVG: 2675600 39.5675 -57.7071 47.6289 -55.8326 13.6372 40.4361 48.9475 41.0725 -13.4165 TIMING: 2675600 CPU: 8526.65, 0.0031406/step Wall: 8526.65, 0.0031406/step, 2.02778 hours remaining, 239.632812 MB of memory in use. ENERGY: 2675600 3961.4904 20446.4972 14511.8758 244.1772 -202909.5826 2352.2344 0.0000 0.0000 52052.1416 -109341.1661 299.1444 -161393.3077 -108974.9093 299.1187 -107.4001 -74.4900 762081.4242 13.3498 13.2627 PRESSURE: 2675800 -14.3863 -186.349 145.934 -186.348 -322.917 113.747 145.934 113.747 -99.4437 GPRESSURE: 2675800 11.44 -174.648 192.087 -64.5669 -288.974 30.7435 205.234 152.571 -63.7173 PRESSAVG: 2675800 62.9392 -34.3052 32.1541 -34.3051 -35.4931 0.420526 32.1541 0.420515 -4.36961 GPRESSAVG: 2675800 61.7784 -34.5924 34.6764 -31.121 -33.1967 1.22218 32.1743 -1.09878 -5.72483 TIMING: 2675800 CPU: 8527.28, 0.00314637/step Wall: 8527.28, 0.00314637/step, 2.03133 hours remaining, 239.632812 MB of memory in use. ENERGY: 2675800 3983.8693 20479.4615 14556.5081 242.9672 -203191.8179 2366.9614 0.0000 0.0000 52246.3707 -109315.6798 300.2606 -161562.0505 -108947.5223 299.6404 -145.5823 -113.7506 762374.9855 7.6922 7.6189 PRESSURE: 2676000 119.867 180.076 55.8389 180.076 -129.731 -88.2343 55.8402 -88.2346 -99.6487 GPRESSURE: 2676000 219.799 160.244 172.634 155.459 -58.8397 -113.286 71.9 -131.394 -180.394 PRESSAVG: 2676000 26.9064 12.2592 26.5226 12.2592 -33.5461 29.7094 26.5227 29.7094 -0.165872 GPRESSAVG: 2676000 27.4505 13.3569 24.228 11.5073 -34.0496 28.3955 27.0638 31.9443 -0.718804 TIMING: 2676000 CPU: 8527.91, 0.00316232/step Wall: 8527.91, 0.00316232/step, 2.04145 hours remaining, 239.632812 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: 2676000 3970.3890 20307.5938 14488.7757 268.5463 -202994.7496 2632.2859 0.0000 0.0000 52058.6647 -109268.4943 299.1819 -161327.1590 -108919.4191 299.2640 -36.5042 -6.4783 762917.3802 -2.2685 -2.4393 PRESSURE: 2676200 -239.683 -82.6822 -10.2927 -82.6835 -61.758 106.913 -10.2934 106.913 -316.362 GPRESSURE: 2676200 -213.373 -122.256 -85.4214 -43.2469 -17.141 -14.7909 56.8615 111.755 -311.176 PRESSAVG: 2676200 24.0237 -2.46308 -32.4372 -2.46315 -31.2735 9.83609 -32.4373 9.83611 14.7642 GPRESSAVG: 2676200 25.0996 -3.55216 -30.1099 -1.77552 -32.3384 9.03273 -31.7774 8.72765 14.7316 TIMING: 2676200 CPU: 8528.55, 0.00319164/step Wall: 8528.55, 0.00319164/step, 2.06021 hours remaining, 239.632812 MB of memory in use. ENERGY: 2676200 3936.3028 20449.5794 14532.1923 253.5462 -202929.7480 2546.3198 0.0000 0.0000 52220.0728 -108991.7346 300.1095 -161211.8074 -108631.6536 299.6657 -205.9344 -180.5633 763226.0714 2.5048 2.4976 LDB: ============= START OF LOAD BALANCING ============== 8541 LDB: ============== END OF LOAD BALANCING =============== 8541 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8541.01 LDB: ============= START OF LOAD BALANCING ============== 8541.33 LDB: Largest compute 7038 load 0.035687 is 18.3% of average load 0.195347 LDB: Average compute 0.004375 is 2.2% of average load 0.195347 LDB: TIME 8541.33 LOAD: AVG 0.195347 MAX 0.212716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.945 MB LDB: TIME 8541.33 LOAD: AVG 0.195347 MAX 0.212716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: TIME 8541.33 LOAD: AVG 0.195347 MAX 0.212716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: ============== END OF LOAD BALANCING =============== 8541.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8541.34 PRESSURE: 2676400 -108.786 -47.7894 -63.6354 -47.7895 -105.797 154.62 -63.6345 154.621 -247.724 GPRESSURE: 2676400 -78.0364 5.12423 41.1414 -75.3727 -138.07 65.3047 -55.2148 155.977 -151.007 PRESSAVG: 2676400 20.2725 -6.35621 0.0411688 -6.35622 17.9282 -1.5488 0.0411957 -1.5488 14.4829 GPRESSAVG: 2676400 20.0792 -3.87197 0.878516 -7.43827 18.0687 -0.702892 -1.44883 -2.82648 15.2898 TIMING: 2676400 CPU: 8529.2, 0.00328542/step Wall: 8529.2, 0.00328542/step, 2.12055 hours remaining, 240.664062 MB of memory in use. ENERGY: 2676400 3982.9661 20402.1312 14536.1734 247.6766 -203050.8934 2719.5125 0.0000 0.0000 52321.2764 -108841.1571 300.6911 -161162.4336 -108478.3230 300.1697 -154.1023 -122.3713 762567.5073 17.5612 17.8125 PRESSURE: 2676600 -130.114 -67.9522 -55.7796 -67.9516 142.345 126.525 -55.7795 126.526 138.436 GPRESSURE: 2676600 0.48039 -228.645 -20.8845 -47.1413 90.071 89.394 -66.2002 183.168 131.372 PRESSAVG: 2676600 37.791 -32.8108 -1.851 -32.8108 3.35875 -18.4806 -1.85104 -18.4806 -8.06715 GPRESSAVG: 2676600 37.6733 -34.6995 -2.89629 -33.8787 3.59249 -17.5485 0.403924 -18.0119 -8.86697 TIMING: 2676600 CPU: 8529.85, 0.00321071/step Wall: 8529.85, 0.00321071/step, 2.07216 hours remaining, 240.664062 MB of memory in use. ENERGY: 2676600 4022.6990 20571.4150 14585.3662 239.2517 -203116.2518 2582.0510 0.0000 0.0000 52281.5990 -108833.8700 300.4631 -161115.4690 -108465.6807 300.3114 50.2224 73.9743 761945.2443 11.0275 10.7996 PRESSURE: 2676800 -330.619 37.5736 40.9205 37.5735 14.1043 62.4983 40.9207 62.4978 355.601 GPRESSURE: 2676800 -227.596 58.7298 97.6847 -47.2215 -22.0146 42.1564 22.6972 61.9328 373.119 PRESSAVG: 2676800 -44.2059 -13.2042 13.7266 -13.2042 83.7538 7.33994 13.7267 7.33994 0.475838 GPRESSAVG: 2676800 -44.7264 -12.3269 13.5959 -12.666 84.1388 5.238 12.999 7.91559 0.697463 TIMING: 2676800 CPU: 8530.47, 0.00312693/step Wall: 8530.47, 0.00312693/step, 2.01791 hours remaining, 240.664062 MB of memory in use. ENERGY: 2676800 3980.6993 20524.2893 14565.9298 252.4030 -203007.4802 2581.0654 0.0000 0.0000 52447.8304 -108655.2631 301.4184 -161103.0934 -108291.0629 300.2013 13.0290 41.1695 762219.8607 13.3412 13.3699 PRESSURE: 2677000 -421.06 -84.8304 18.5341 -84.8308 -324.472 -40.951 18.5339 -40.9497 -308.205 GPRESSURE: 2677000 -406.318 -65.5631 21.5287 -100.148 -253.293 -33.5727 24.4547 -109.832 -311.172 PRESSAVG: 2677000 17.557 -24.0268 -7.06291 -24.0268 3.13438 8.64197 -7.06281 8.64201 -6.29124 GPRESSAVG: 2677000 17.2863 -23.5879 -6.33358 -22.5852 3.42939 9.71575 -9.26394 10.039 -6.33508 TIMING: 2677000 CPU: 8531.11, 0.00318369/step Wall: 8531.11, 0.00318369/step, 2.05436 hours remaining, 240.664062 MB of memory in use. ENERGY: 2677000 4031.9646 20462.7340 14550.3353 236.3734 -202213.6695 1955.8737 0.0000 0.0000 52131.0125 -108845.3759 299.5976 -160976.3884 -108482.7081 300.3490 -351.2457 -323.5944 762864.9489 4.8001 4.7935 PRESSURE: 2677200 -381.286 -10.0052 -189.609 -10.005 -611.934 50.9406 -189.609 50.9395 -700.996 GPRESSURE: 2677200 -422.995 -160.118 -158.059 69.9768 -467.455 94.9017 -54.7238 -20.0163 -690.666 PRESSAVG: 2677200 3.26085 -2.67143 48.0851 -2.67139 9.29272 -11.7795 48.0852 -11.7795 9.84781 GPRESSAVG: 2677200 2.27553 -2.0183 47.3028 -3.73897 9.35201 -11.7745 49.0774 -14.19 10.6865 TIMING: 2677200 CPU: 8531.74, 0.0031519/step Wall: 8531.74, 0.0031519/step, 2.03367 hours remaining, 240.664062 MB of memory in use. ENERGY: 2677200 4047.7660 20427.1610 14587.7796 241.8670 -202225.0782 1994.6232 0.0000 0.0000 52087.4889 -108838.3925 299.3475 -160925.8814 -108477.1800 299.6930 -564.7385 -527.0386 764803.0692 7.4671 7.4380 PRESSURE: 2677400 -241.179 147.815 134.368 147.815 192.207 50.6089 134.368 50.6087 22.2876 GPRESSURE: 2677400 -182.923 308.823 218.584 139.114 235.607 -10.9422 89.7656 -37.5432 42.4749 PRESSAVG: 2677400 7.89389 51.8449 27.9103 51.8449 -50.7359 -22.3665 27.9103 -22.3665 -10.8966 GPRESSAVG: 2677400 8.77004 51.7934 27.4897 52.2424 -50.9895 -22.1466 26.0968 -22.6939 -11.439 TIMING: 2677400 CPU: 8532.37, 0.00317199/step Wall: 8532.37, 0.00317199/step, 2.04646 hours remaining, 240.664062 MB of memory in use. ENERGY: 2677400 4060.8004 20382.6263 14523.5775 245.9715 -203007.0471 2643.6365 0.0000 0.0000 52228.5321 -108921.9028 300.1581 -161150.4349 -108565.6816 299.6215 -8.8950 31.7195 762815.6105 -17.9129 -17.8862 PRESSURE: 2677600 229.966 -88.1121 -2.4972 -88.1123 238.412 -111.922 -2.49828 -111.922 481.538 GPRESSURE: 2677600 268.808 -106.587 -9.87285 -159.017 224.201 -109.133 69.7753 -25.9016 558.167 PRESSAVG: 2677600 -21.9918 30.4153 25.7958 30.4154 64.4574 34.5497 25.7959 34.5496 -2.08807 GPRESSAVG: 2677600 -22.2155 29.5115 26.3356 30.0292 63.6278 34.6335 27.1438 33.7644 -1.18862 TIMING: 2677600 CPU: 8533, 0.00316037/step Wall: 8533, 0.00316037/step, 2.03879 hours remaining, 240.664062 MB of memory in use. ENERGY: 2677600 3951.9398 20410.4199 14481.3213 232.7107 -203147.3403 2811.4523 0.0000 0.0000 52084.6215 -109174.8748 299.3310 -161259.4963 -108820.7797 299.1485 316.6388 350.3919 761388.2110 13.4592 13.4079 PRESSURE: 2677800 -94.9216 -71.0053 78.9973 -71.006 -262.962 81.0738 78.9969 81.0727 -398.235 GPRESSURE: 2677800 -96.2298 -49.6499 -70.4805 70.3864 -233.202 104.926 -76.5392 58.0507 -349.998 PRESSAVG: 2677800 57.58 -28.4505 -8.99431 -28.4506 -16.0703 35.369 -8.99436 35.369 23.1752 GPRESSAVG: 2677800 57.733 -30.4846 -9.43541 -27.6061 -15.6103 35.3656 -10.7223 36.0061 22.7819 TIMING: 2677800 CPU: 8533.64, 0.00318673/step Wall: 8533.64, 0.00318673/step, 2.05562 hours remaining, 240.664062 MB of memory in use. ENERGY: 2677800 4000.3512 20406.4868 14571.0222 256.1518 -202955.1237 2411.6369 0.0000 0.0000 52186.4379 -109123.0369 299.9162 -161309.4747 -108773.7947 299.2674 -252.0395 -226.4766 761742.6190 21.5616 21.6348 PRESSURE: 2678000 463.374 -193.639 -11.2268 -193.638 -512 -127.429 -11.226 -127.43 51.0171 GPRESSURE: 2678000 437.626 -158.144 44.7977 -213.385 -412.309 -44.9533 91.6286 -67.9682 77.7762 PRESSAVG: 2678000 62.3656 -42.4732 22.2058 -42.4732 -16.0846 20.2354 22.2058 20.2353 -31.5568 GPRESSAVG: 2678000 63.8987 -39.9779 21.0431 -43.4632 -16.4629 20.8288 23.6044 20.4849 -32.3152 TIMING: 2678000 CPU: 8534.27, 0.00316461/step Wall: 8534.27, 0.00316461/step, 2.04117 hours remaining, 240.664062 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: 2678000 3994.7580 20693.9403 14496.3827 239.0444 -203103.5612 2384.2142 0.0000 0.0000 52197.7945 -109097.4269 299.9814 -161295.2215 -108738.2085 299.9723 0.7970 34.3645 760452.3809 4.9081 5.0402 PRESSURE: 2678200 -91.3871 11.5218 130.058 11.5212 342.84 -52.6644 130.058 -52.6648 -76.6693 GPRESSURE: 2678200 13.9676 100.023 147.17 -60.9604 292.407 -34.2468 211.871 -82.1796 -35.34 PRESSAVG: 2678200 14.6369 -30.0611 13.1062 -30.0611 1.01171 -10.5657 13.1062 -10.5657 19.2101 GPRESSAVG: 2678200 14.322 -32.7785 14.936 -30.8662 1.39914 -10.701 11.7625 -9.65662 20.2651 TIMING: 2678200 CPU: 8534.91, 0.00316278/step Wall: 8534.91, 0.00316278/step, 2.03982 hours remaining, 240.664062 MB of memory in use. ENERGY: 2678200 3985.4341 20334.8165 14549.5409 254.3523 -202983.2990 2517.4493 0.0000 0.0000 52353.5908 -108988.1150 300.8768 -161341.7058 -108613.1017 299.8325 58.2611 90.3450 760911.5121 11.6196 11.9954 PRESSURE: 2678400 320.729 -61.1957 -39.06 -61.1963 162.311 118.867 -39.0607 118.867 -330.254 GPRESSURE: 2678400 334.191 -41.3037 -14.9669 -31.6075 117.438 31.8204 -39.2462 131.41 -205.167 PRESSAVG: 2678400 50.6788 -8.7575 -35.9426 -8.75758 -33.4509 12.1233 -35.9427 12.1233 -22.9951 GPRESSAVG: 2678400 49.5905 -7.20976 -37.0443 -6.82335 -34.2178 11.3651 -34.6306 10.5737 -21.6297 TIMING: 2678400 CPU: 8535.54, 0.00318416/step Wall: 8535.54, 0.00318416/step, 2.05343 hours remaining, 240.664062 MB of memory in use. ENERGY: 2678400 3930.2911 20649.0171 14558.8188 252.3379 -203217.3072 2527.8532 0.0000 0.0000 52250.1767 -109048.8124 300.2825 -161298.9891 -108690.3446 300.3551 50.9290 82.1541 759648.3544 -1.9224 -2.0857 PRESSURE: 2678600 -174.569 -2.45926 85.1684 -2.45912 70.1943 82.8266 85.168 82.8261 -432.207 GPRESSURE: 2678600 -161.644 63.2325 29.9983 40.9256 95.5 13.2474 82.7478 255.591 -395.628 PRESSAVG: 2678600 -31.8948 7.58225 20.4074 7.58231 2.08756 96.8019 20.4074 96.8019 -0.451978 GPRESSAVG: 2678600 -30.98 6.42335 21.7517 5.44267 3.40869 97.3343 18.2828 98.5994 -2.44517 TIMING: 2678600 CPU: 8536.17, 0.00315131/step Wall: 8536.17, 0.00315131/step, 2.03207 hours remaining, 240.664062 MB of memory in use. ENERGY: 2678600 3985.2042 20540.9885 14598.1100 239.2168 -202872.1244 2181.7314 0.0000 0.0000 52291.3753 -109035.4982 300.5193 -161326.8736 -108670.1551 300.5806 -178.8606 -153.9240 760911.9566 -10.0864 -10.0055 PRESSURE: 2678800 257.337 -155.666 -17.7909 -155.666 -127.109 47.1155 -17.7901 47.1159 348.921 GPRESSURE: 2678800 331.672 -146.453 18.1139 -125.019 -106.023 115.308 39.8263 27.9969 323.996 PRESSAVG: 2678800 -4.42474 -47.2046 15.3072 -47.2046 1.35378 81.6946 15.3073 81.6946 -19.6016 GPRESSAVG: 2678800 -5.39754 -47.314 16.9684 -43.7894 1.49723 82.539 16.3657 80.7983 -19.5518 TIMING: 2678800 CPU: 8536.8, 0.00314677/step Wall: 8536.8, 0.00314677/step, 2.02897 hours remaining, 240.664062 MB of memory in use. ENERGY: 2678800 3972.0908 20660.4890 14538.2370 253.3329 -203037.7491 2344.3798 0.0000 0.0000 52233.7398 -109035.4798 300.1880 -161269.2196 -108675.1146 300.4495 159.7163 183.2149 761739.9168 -7.5575 -7.8174 PRESSURE: 2679000 316.32 -127.331 -37.5793 -127.332 134.386 -34.5798 -37.5789 -34.5791 313.801 GPRESSURE: 2679000 357.686 -118.627 10.1668 -151.459 168.812 11.3292 -76.6525 -5.97124 338.195 PRESSAVG: 2679000 -25.5327 -54.2694 5.67621 -54.2695 25.0717 80.8272 5.67618 80.8272 -6.69195 GPRESSAVG: 2679000 -25.03 -52.5849 3.26111 -57.0877 23.4488 79.1296 7.12114 80.0709 -5.66097 TIMING: 2679000 CPU: 8537.44, 0.00316059/step Wall: 8537.44, 0.00316059/step, 2.0377 hours remaining, 240.664062 MB of memory in use. ENERGY: 2679000 3890.1445 20663.4493 14510.5495 233.3472 -203141.8954 2511.8076 0.0000 0.0000 52268.9513 -109063.6460 300.3904 -161332.5974 -108701.9852 299.9831 254.8359 288.2311 762418.3840 -2.3843 -2.4141 PRESSURE: 2679200 373.986 -112.032 -207.543 -112.032 253.677 -131.918 -207.542 -131.919 151.549 GPRESSURE: 2679200 390.877 -3.96628 -189.073 26.8615 287.902 -56.785 -133.845 -106.938 187.577 PRESSAVG: 2679200 5.64387 44.0483 7.88447 44.0483 17.9736 90.4086 7.88444 90.4086 16.3301 GPRESSAVG: 2679200 6.43667 43.7518 10.3564 47.5443 18.6267 91.8586 7.62627 90.6585 15.1047 TIMING: 2679200 CPU: 8538.06, 0.00314167/step Wall: 8538.06, 0.00314167/step, 2.02533 hours remaining, 240.664062 MB of memory in use. ENERGY: 2679200 4021.2727 20501.3641 14509.4361 243.9008 -203213.1331 2775.1522 0.0000 0.0000 52280.1852 -108881.8221 300.4549 -161162.0073 -108516.2807 300.0806 259.7372 288.7852 763437.9092 13.3158 13.3893 PRESSURE: 2679400 -238.905 221.227 57.5159 221.227 73.0234 104.154 57.5162 104.155 295.525 GPRESSURE: 2679400 -146.998 118.569 -8.60841 217.813 56.7487 147.174 151.271 -5.35477 315.269 PRESSAVG: 2679400 67.9969 -9.66249 33.2884 -9.6625 -26.7595 32.5402 33.2883 32.5402 18.3523 GPRESSAVG: 2679400 68.2795 -8.29916 30.2138 -12.1657 -26.8542 32.6631 30.4337 32.2967 19.1217 TIMING: 2679400 CPU: 8538.69, 0.00314984/step Wall: 8538.69, 0.00314984/step, 2.03042 hours remaining, 240.664062 MB of memory in use. ENERGY: 2679400 3991.1471 20646.0578 14585.3147 238.2929 -202916.4166 2526.8525 0.0000 0.0000 52255.9398 -108672.8118 300.3156 -160928.7517 -108310.5592 300.0927 43.2145 75.0068 763121.8358 19.8633 20.1824 PRESSURE: 2679600 190.112 100.553 85.8526 100.553 -227.954 144.773 85.8524 144.774 -101.106 GPRESSURE: 2679600 188.122 83.983 -20.9242 113.772 -178.669 144.877 160.953 152.041 -68.8408 PRESSAVG: 2679600 24.8196 8.24771 10.8225 8.24777 19.8181 10.939 10.8225 10.9391 19.4592 GPRESSAVG: 2679600 25.353 6.62939 11.7601 8.92085 19.3135 10.6933 14.4052 11.4251 19.6472 TIMING: 2679600 CPU: 8539.33, 0.00317013/step Wall: 8539.33, 0.00317013/step, 2.04332 hours remaining, 240.664062 MB of memory in use. ENERGY: 2679600 3911.1030 20547.3439 14510.8741 236.1716 -202765.1191 2265.0313 0.0000 0.0000 52370.7725 -108923.8227 300.9755 -161294.5952 -108547.5573 300.5123 -46.3159 -19.7960 762086.9768 21.3656 21.4379 PRESSURE: 2679800 -187.989 99.0984 3.38172 99.0994 -446.019 -35.4101 3.38233 -35.4097 -504.989 GPRESSURE: 2679800 -189.708 39.813 61.7227 21.2868 -355.067 -146.565 -76.106 -24.3471 -513.545 PRESSAVG: 2679800 34.7469 -14.5093 47.5896 -14.5092 -65.1379 36.0419 47.5897 36.0418 3.52627 GPRESSAVG: 2679800 34.4642 -14.8989 48.5791 -13.9392 -65.5699 37.3771 46.2025 35.7755 3.73973 TIMING: 2679800 CPU: 8539.97, 0.00320253/step Wall: 8539.97, 0.00320253/step, 2.06403 hours remaining, 240.664062 MB of memory in use. ENERGY: 2679800 3919.9287 20590.1092 14519.7678 235.4221 -202847.4963 2378.2925 0.0000 0.0000 52200.1705 -109003.8054 299.9951 -161203.9759 -108639.1975 300.0983 -379.6656 -352.7730 762380.9681 -8.9549 -9.1220 PRESSURE: 2680000 -66.7074 251.045 82.1034 251.045 361.487 124.229 82.1023 124.227 212.128 GPRESSURE: 2680000 76.734 260.571 139.364 170.2 347.15 116.159 108.009 171.175 145.744 PRESSAVG: 2680000 6.94227 47.3218 -7.48764 47.3217 38.3823 16.1121 -7.48755 16.1121 -14.0825 GPRESSAVG: 2680000 6.15157 46.6951 -5.32291 47.5694 40.5046 15.4349 -7.02309 16.7414 -15.6921 TIMING: 2680000 CPU: 8540.6, 0.00316071/step Wall: 8540.6, 0.00316071/step, 2.0369 hours remaining, 240.664062 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: 2680000 3891.8562 20491.0886 14586.9766 255.3215 -203023.2936 2410.5923 0.0000 0.0000 52140.6048 -109246.8536 299.6528 -161387.4584 -108877.0441 299.8696 168.9690 189.8759 761145.0616 10.4140 10.3213 PRESSURE: 2680200 -139.916 -170.074 -4.98592 -170.073 158.803 -174.454 -4.98468 -174.454 154.596 GPRESSURE: 2680200 -110.686 -157.809 -15.1656 -144.989 120.957 -191.625 -7.13288 -82.4363 244.1 PRESSAVG: 2680200 -36.3985 -33.2878 25.6482 -33.2878 43.9766 42.7294 25.6482 42.7294 5.50792 GPRESSAVG: 2680200 -36.1707 -31.7762 21.7767 -34.8387 42.595 41.9327 26.9017 42.3677 6.98972 TIMING: 2680200 CPU: 8541.23, 0.00316833/step Wall: 8541.23, 0.00316833/step, 2.04164 hours remaining, 240.664062 MB of memory in use. ENERGY: 2680200 3939.6948 20404.6977 14412.1698 248.3286 -203141.2482 2798.4914 0.0000 0.0000 51901.1710 -109436.6949 298.2767 -161337.8659 -109070.0984 299.4664 57.8277 84.7902 762249.2361 4.3620 4.4713 LDB: ============= START OF LOAD BALANCING ============== 8553.69 LDB: ============== END OF LOAD BALANCING =============== 8553.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8553.69 LDB: ============= START OF LOAD BALANCING ============== 8554 LDB: Largest compute 7038 load 0.033559 is 17.2% of average load 0.195377 LDB: Average compute 0.004375 is 2.2% of average load 0.195377 LDB: TIME 8554.01 LOAD: AVG 0.195377 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 8554.01 LOAD: AVG 0.195377 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: TIME 8554.01 LOAD: AVG 0.195377 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: ============== END OF LOAD BALANCING =============== 8554.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8554.01 PRESSURE: 2680400 -38.6223 -101.265 -76.6538 -101.265 -271.166 -57.5392 -76.6539 -57.5384 424.017 GPRESSURE: 2680400 -87.9995 -111.247 -44.7962 -125.992 -139.352 -88.0172 -72.0051 23.3656 417.244 PRESSAVG: 2680400 9.25483 13.7757 -14.0117 13.7757 15.2496 -18.1355 -14.0116 -18.1355 -16.9699 GPRESSAVG: 2680400 9.06061 11.2163 -11.9727 14.7514 16.4053 -18.8465 -14.548 -17.2852 -17.4204 TIMING: 2680400 CPU: 8541.88, 0.00322389/step Wall: 8541.88, 0.00322389/step, 2.07726 hours remaining, 240.460938 MB of memory in use. ENERGY: 2680400 3930.7415 20638.8257 14482.5384 230.8587 -203028.6434 2284.8036 0.0000 0.0000 52065.8269 -109395.0485 299.2230 -161460.8754 -109025.7934 299.3827 38.0760 63.2976 761809.1645 2.5115 2.6818 PRESSURE: 2680600 -252.989 -135.582 123.993 -135.582 -201.56 -42.2292 123.992 -42.2297 -95.1977 GPRESSURE: 2680600 -207.663 -116.775 106.105 -80.0871 -194.931 14.5971 -2.18151 142.016 -71.4773 PRESSAVG: 2680600 -43.9849 39.8646 -22.541 39.8646 16.9039 -11.6621 -22.541 -11.6621 12.5667 GPRESSAVG: 2680600 -44.5229 41.8962 -23.3253 38.6539 16.5172 -9.93876 -23.1867 -10.4095 12.7206 TIMING: 2680600 CPU: 8542.51, 0.00314997/step Wall: 8542.51, 0.00314997/step, 2.02945 hours remaining, 240.531250 MB of memory in use. ENERGY: 2680600 3898.2563 20554.6420 14528.7496 257.7662 -203027.5524 2325.8726 0.0000 0.0000 52097.9283 -109364.3373 299.4075 -161462.2656 -109005.7569 299.3570 -183.2487 -158.0240 763289.6965 -4.8381 -5.0950 PRESSURE: 2680800 47.2061 -191.743 -94.1867 -191.744 -20.8446 64.2015 -94.186 64.2025 -101.525 GPRESSURE: 2680800 138.448 -244.344 -174.661 -172.208 -30.7332 64.9542 -141.126 -43.5126 -89.0934 PRESSAVG: 2680800 -18.2442 13.0144 32.8493 13.0143 10.6811 0.619302 32.8493 0.619357 6.56719 GPRESSAVG: 2680800 -18.2012 12.4675 32.701 13.7098 11.5272 -1.20234 31.5159 -0.709905 5.87221 TIMING: 2680800 CPU: 8543.14, 0.00316378/step Wall: 8543.14, 0.00316378/step, 2.03818 hours remaining, 240.531250 MB of memory in use. ENERGY: 2680800 4006.2791 20377.6364 14518.5095 247.6222 -203276.8933 2640.2522 0.0000 0.0000 52006.8116 -109479.7823 298.8839 -161486.5938 -109126.8867 299.3053 -25.0546 6.2073 760372.0570 -0.3320 -0.2672 PRESSURE: 2681000 -138.943 80.1678 -77.8328 80.1682 272.684 -10.2283 -77.8323 -10.2283 -259.447 GPRESSURE: 2681000 -0.0503744 92.1099 -116.813 23.6054 213.318 39.1136 -132.355 59.6455 -231.884 PRESSAVG: 2681000 -32.0351 -32.5974 -30.5348 -32.5973 44.9359 28.6112 -30.5349 28.6113 -13.7996 GPRESSAVG: 2681000 -31.1003 -31.9147 -30.8444 -31.5837 43.3981 30.038 -28.4286 26.1127 -13.3891 TIMING: 2681000 CPU: 8543.78, 0.00318295/step Wall: 8543.78, 0.00318295/step, 2.05035 hours remaining, 240.531250 MB of memory in use. ENERGY: 2681000 3973.3839 20608.8128 14601.8871 253.6996 -203345.4120 2365.3801 0.0000 0.0000 52006.6291 -109535.6195 298.8828 -161542.2486 -109183.4330 299.1873 -41.9020 -6.2055 760578.7967 -0.2996 -0.3638 PRESSURE: 2681200 -285.362 -29.7794 -45.5307 -29.7805 -187.968 -74.2549 -45.5312 -74.2552 -238.448 GPRESSURE: 2681200 -261.415 -18.786 -81.4818 49.6751 -117.134 -71.3768 -34.9385 -7.67295 -254.525 PRESSAVG: 2681200 27.0302 -29.4419 6.62352 -29.4419 8.08605 -44.6084 6.62347 -44.6083 5.34087 GPRESSAVG: 2681200 25.3639 -29.548 6.31061 -30.1242 9.1097 -43.9196 5.3604 -42.2209 5.78595 TIMING: 2681200 CPU: 8544.41, 0.00315084/step Wall: 8544.41, 0.00315084/step, 2.02949 hours remaining, 240.531250 MB of memory in use. ENERGY: 2681200 3987.3312 20420.5536 14527.6769 238.9768 -203483.0770 2577.3870 0.0000 0.0000 52162.9113 -109568.2402 299.7810 -161731.1515 -109203.3918 298.8165 -237.2594 -211.0247 761812.5249 13.4857 13.4198 PRESSURE: 2681400 -24.6474 -101.799 9.67354 -101.798 -429.639 13.0716 9.67239 13.0717 413.09 GPRESSURE: 2681400 10.3542 -131.854 79.1458 104.853 -316.033 -7.07322 27.8661 26.8161 346.667 PRESSAVG: 2681400 0.854403 24.1121 -20.4835 24.1121 -23.3814 -30.4525 -20.4835 -30.4525 -23.4285 GPRESSAVG: 2681400 2.08529 25.1796 -20.6804 24.972 -23.8781 -30.6114 -20.1869 -30.7183 -24.1146 TIMING: 2681400 CPU: 8545.05, 0.00318489/step Wall: 8545.05, 0.00318489/step, 2.05124 hours remaining, 240.531250 MB of memory in use. ENERGY: 2681400 3977.7105 20390.3927 14561.7876 259.5003 -203332.7600 2613.5339 0.0000 0.0000 52173.5493 -109356.2856 299.8421 -161529.8349 -108986.1651 299.5060 -13.7323 13.6625 761946.3110 -15.3185 -15.3025 PRESSURE: 2681600 -67.7791 357.322 -84.8572 357.322 -346.36 136.893 -84.8586 136.894 -21.1775 GPRESSURE: 2681600 -61.3966 233.387 -74.3254 220.879 -278.081 144.045 64.8055 148.171 -22.5892 PRESSAVG: 2681600 2.08004 63.6566 -31.2497 63.6566 1.34462 2.64292 -31.2497 2.64289 1.74588 GPRESSAVG: 2681600 1.62056 62.9198 -30.4081 62.2991 0.791585 2.11495 -31.1745 2.8142 2.30718 TIMING: 2681600 CPU: 8545.67, 0.00314359/step Wall: 8545.67, 0.00314359/step, 2.02447 hours remaining, 240.531250 MB of memory in use. ENERGY: 2681600 4008.3395 20655.6566 14510.9723 224.5150 -203539.7254 2669.8580 0.0000 0.0000 52111.0591 -109359.3247 299.4830 -161470.3839 -109007.8749 299.5967 -145.1056 -120.6889 761773.3063 1.7235 1.5731 PRESSURE: 2681800 18.9661 79.1436 187.339 79.1422 -382.826 8.24051 187.339 8.24122 18.9574 GPRESSURE: 2681800 31.8181 13.2191 132.457 -14.1293 -272.24 -67.1941 157.233 61.2434 -24.3538 PRESSAVG: 2681800 27.2461 17.8552 -1.43842 17.8553 -82.1006 -67.2285 -1.43839 -67.2285 -3.18629 GPRESSAVG: 2681800 26.8155 17.1696 -1.04859 17.7868 -81.3467 -67.7037 -2.73087 -65.859 -3.82583 TIMING: 2681800 CPU: 8546.3, 0.00314577/step Wall: 8546.3, 0.00314577/step, 2.0257 hours remaining, 240.531250 MB of memory in use. ENERGY: 2681800 4045.5892 20447.5830 14560.8321 244.6251 -203394.9589 2686.7336 0.0000 0.0000 52315.4144 -109094.1815 300.6574 -161409.5959 -108727.3354 300.2361 -114.9676 -88.2587 762655.7614 -19.3469 -19.4523 PRESSURE: 2682000 177.478 41.5989 -116.828 41.5988 57.6202 131.324 -116.828 131.325 -59.3687 GPRESSURE: 2682000 186.676 70.5064 -58.0425 82.9937 74.0038 253.499 -14.7103 -12.685 -0.922772 PRESSAVG: 2682000 -22.2975 14.2 1.70508 14.2001 -23.6589 -23.8185 1.70513 -23.8185 -5.92118 GPRESSAVG: 2682000 -22.5303 15.9649 2.78525 15.3324 -24.6849 -24.5252 3.93861 -22.8133 -4.64267 TIMING: 2682000 CPU: 8546.93, 0.00314733/step Wall: 8546.93, 0.00314733/step, 2.02653 hours remaining, 240.531250 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: 2682000 3942.4153 20736.1846 14578.2370 257.0630 -203501.5034 2611.4529 0.0000 0.0000 52205.9603 -109170.1903 300.0284 -161376.1506 -108806.4004 299.9998 58.5763 86.5855 760495.6990 -17.2925 -17.2860 PRESSURE: 2682200 98.4787 123.302 111.27 123.301 -78.8098 -23.0641 111.27 -23.0637 -319.053 GPRESSURE: 2682200 66.8773 10.8068 88.1859 161.439 30.4706 -86.6448 89.7456 -62.4716 -306.782 PRESSAVG: 2682200 51.7909 -4.92796 -0.647896 -4.92804 -67.9609 -13.4445 -0.647991 -13.4445 20.6223 GPRESSAVG: 2682200 51.5424 -8.04213 -1.22639 -3.4164 -67.4868 -12.2233 -0.846337 -15.1853 20.5915 TIMING: 2682200 CPU: 8547.56, 0.00314869/step Wall: 8547.56, 0.00314869/step, 2.02723 hours remaining, 240.531250 MB of memory in use. ENERGY: 2682200 3978.4338 20538.3953 14491.0817 247.8228 -203517.1763 2835.4286 0.0000 0.0000 52231.5624 -109194.4518 300.1755 -161426.0141 -108833.5815 299.9694 -99.7948 -69.8112 760789.9595 1.4841 1.5490 PRESSURE: 2682400 -418.591 -28.3989 175.501 -28.3979 -242.324 70.4769 175.501 70.4778 -9.59658 GPRESSURE: 2682400 -275.355 -64.4131 123.324 -59.2711 -258.448 7.98373 210 -28.8696 -34.8669 PRESSAVG: 2682400 61.7552 -61.7065 12.1633 -61.7065 -74.6031 28.0301 12.1633 28.0301 -1.79433 GPRESSAVG: 2682400 61.9816 -59.5175 12.0447 -63.103 -74.4301 27.2067 11.2045 27.5329 -2.26513 TIMING: 2682400 CPU: 8548.2, 0.00318093/step Wall: 8548.2, 0.00318093/step, 2.04781 hours remaining, 240.531250 MB of memory in use. ENERGY: 2682400 3979.1264 20612.4765 14531.7760 258.3046 -203431.5731 2578.8351 0.0000 0.0000 52226.1864 -109244.8681 300.1446 -161471.0544 -108887.3902 300.3055 -223.5040 -189.5564 761723.6656 -4.8807 -4.9045 PRESSURE: 2682600 156.31 -179.213 122.158 -179.213 -321.636 109.887 122.158 109.887 -75.353 GPRESSURE: 2682600 230.36 -201.899 78.9354 -148.903 -191.019 154.216 163.739 186.555 -173.116 PRESSAVG: 2682600 16.4331 -56.3587 51.3646 -56.3587 -30.5498 -44.2091 51.3646 -44.2092 27.8875 GPRESSAVG: 2682600 17.7631 -56.178 51.4019 -57.7425 -31.2154 -44.0667 52.7253 -43.3134 27.3842 TIMING: 2682600 CPU: 8548.83, 0.00316162/step Wall: 8548.83, 0.00316162/step, 2.0352 hours remaining, 240.531250 MB of memory in use. ENERGY: 2682600 4080.9534 20310.9073 14557.3514 251.7713 -203184.3237 2702.6307 0.0000 0.0000 51930.8435 -109349.8662 298.4473 -161280.7097 -108984.0760 299.9975 -80.2263 -44.5919 761820.3774 4.5903 4.6440 PRESSURE: 2682800 -41.6689 -9.44182 115.05 -9.44201 -70.0197 42.2618 115.051 42.263 -86.2147 GPRESSURE: 2682800 -119.867 -51.3568 129.376 -10.9248 13.9786 -16.8254 3.15273 -7.43822 7.40005 PRESSAVG: 2682800 26.8694 -0.790748 30.4445 -0.790663 -32.869 11.5114 30.4445 11.5113 -0.351289 GPRESSAVG: 2682800 25.5393 -1.83747 28.8837 1.70825 -32.3814 13.2114 31.3295 12.7411 0.232301 TIMING: 2682800 CPU: 8549.46, 0.00315356/step Wall: 8549.46, 0.00315356/step, 2.02984 hours remaining, 240.531250 MB of memory in use. ENERGY: 2682800 3976.8605 20560.6234 14598.0529 216.8014 -203491.4031 2914.1522 0.0000 0.0000 51916.4038 -109308.5088 298.3643 -161224.9126 -108954.6617 299.1515 -65.9678 -32.8293 762173.2541 -2.1169 -2.2033 PRESSURE: 2683000 -146.176 46.9977 -31.7015 46.9978 -208.322 204.203 -31.7007 204.203 -115.219 GPRESSURE: 2683000 -48.3037 111.286 57.2967 93.8397 -124.48 179.373 -179.871 215.636 -209.979 PRESSAVG: 2683000 -15.143 -0.77367 5.76785 -0.773742 -20.5426 62.9066 5.76781 62.9066 -6.88953 GPRESSAVG: 2683000 -14.24 -0.901411 8.4222 -0.814847 -20.4892 62.6582 2.92863 60.8878 -7.52275 TIMING: 2683000 CPU: 8550.09, 0.00315012/step Wall: 8550.09, 0.00315012/step, 2.02745 hours remaining, 240.531250 MB of memory in use. ENERGY: 2683000 4049.9483 20461.0796 14558.2771 250.5630 -203478.8566 2592.7746 0.0000 0.0000 52221.3271 -109344.8870 300.1167 -161566.2141 -108979.3452 299.6024 -156.5725 -127.5874 761499.6071 -14.1917 -14.0840 PRESSURE: 2683200 228.746 -171.555 63.9701 -171.555 557.375 41.8352 63.9694 41.8337 113.113 GPRESSURE: 2683200 280.309 -152.32 23.7253 -217.128 576.416 16.1363 168.968 136.313 92.5444 PRESSAVG: 2683200 -42.3651 -25.3269 22.5937 -25.3269 38.5698 11.9982 22.5937 11.9981 -6.48563 GPRESSAVG: 2683200 -42.0398 -24.54 20.3951 -27.0392 38.9408 9.53456 26.3646 12.8369 -6.93074 TIMING: 2683200 CPU: 8550.72, 0.00314999/step Wall: 8550.72, 0.00314999/step, 2.02719 hours remaining, 240.531250 MB of memory in use. ENERGY: 2683200 3973.2951 20529.7517 14556.9780 230.9933 -203803.0048 2920.1971 0.0000 0.0000 52208.8158 -109382.9738 300.0448 -161591.7896 -109017.3445 299.9436 299.7448 316.4233 759693.6994 -3.4270 -3.3432 PRESSURE: 2683400 -16.2306 107.898 4.91485 107.898 -233.458 -0.920952 4.91433 -0.921316 55.86 GPRESSURE: 2683400 14.8672 65.9346 -68.6865 130.67 -203.569 4.42688 40.1856 9.37516 63.1915 PRESSAVG: 2683400 10.4518 -82.0981 -37.7758 -82.0981 -36.8893 21.9149 -37.7758 21.9149 -6.79612 GPRESSAVG: 2683400 10.1524 -81.3636 -37.0332 -80.7388 -37.092 23.3748 -37.6299 20.1381 -6.52455 TIMING: 2683400 CPU: 8551.35, 0.00315789/step Wall: 8551.35, 0.00315789/step, 2.03211 hours remaining, 240.531250 MB of memory in use. ENERGY: 2683400 3928.8988 20467.0170 14429.0420 230.3134 -203272.7361 2514.6430 0.0000 0.0000 52200.0833 -109502.7386 299.9946 -161702.8219 -109121.0794 299.5817 -64.6097 -41.8368 761775.3334 -11.0779 -11.1547 PRESSURE: 2683600 -77.3226 -72.6569 -323.98 -72.6566 54.8674 -231.349 -323.98 -231.348 -462.185 GPRESSURE: 2683600 -27.0132 -66.2446 -274.326 -64.125 83.941 -166.553 -358.456 -205.247 -464.231 PRESSAVG: 2683600 9.75349 -11.2026 -11.0982 -11.2025 24.1216 51.241 -11.0982 51.2411 37.6209 GPRESSAVG: 2683600 9.31719 -8.84541 -10.3134 -13.2054 23.918 51.0084 -15.2843 52.7399 38.7728 TIMING: 2683600 CPU: 8551.98, 0.00313801/step Wall: 8551.98, 0.00313801/step, 2.01913 hours remaining, 240.531250 MB of memory in use. ENERGY: 2683600 4037.8076 20530.2601 14584.2533 265.3663 -203502.3673 2580.8126 0.0000 0.0000 52003.8548 -109500.0126 298.8669 -161503.8674 -109140.2572 299.7129 -161.5469 -135.7677 759714.4758 23.8320 24.0027 PRESSURE: 2683800 -167.486 -15.9231 168.447 -15.9231 33.2947 94.9199 168.447 94.9189 -189.966 GPRESSURE: 2683800 7.48133 51.6114 202.108 -34.4022 -168.705 86.4306 151.424 228.543 -65.6984 PRESSAVG: 2683800 -18.7445 -36.645 19.7951 -36.6451 3.91458 74.7816 19.7951 74.7815 9.93951 GPRESSAVG: 2683800 -18.2729 -37.9379 20.2354 -35.0357 4.46856 76.074 21.5235 73.1663 8.58118 TIMING: 2683800 CPU: 8552.61, 0.00313529/step Wall: 8552.61, 0.00313529/step, 2.01721 hours remaining, 240.531250 MB of memory in use. ENERGY: 2683800 3973.0554 20670.9178 14590.7656 230.2109 -203455.2548 2668.5514 0.0000 0.0000 51883.3238 -109438.4299 298.1742 -161321.7537 -109080.3038 299.5519 -108.0525 -75.6408 760830.5393 -1.6301 -1.7410 PRESSURE: 2684000 107.253 -31.7773 -64.5434 -31.7777 -197.002 -153.824 -64.543 -153.824 16.7032 GPRESSURE: 2684000 85.363 33.0265 -79.7566 95.4675 -46.9787 -211.711 33.9827 -141.381 -28.1177 PRESSAVG: 2684000 22.5085 -35.7261 -69.8633 -35.7262 26.9529 5.08588 -69.8633 5.08585 32.0981 GPRESSAVG: 2684000 21.5425 -34.8785 -70.7217 -34.0215 28.1825 4.0203 -70.2791 5.20642 31.6521 TIMING: 2684000 CPU: 8553.23, 0.00313147/step Wall: 8553.23, 0.00313147/step, 2.01458 hours remaining, 240.531250 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: 2684000 3927.3615 20615.3650 14507.7924 227.4036 -203538.9106 2907.4474 0.0000 0.0000 51915.7419 -109437.7988 298.3605 -161353.5407 -109079.2134 299.2363 -24.3484 3.4222 761835.6456 27.1865 27.1257 PRESSURE: 2684200 -66.8521 -178.391 239.361 -178.39 -157.9 -26.4368 239.361 -26.4368 -734.106 GPRESSURE: 2684200 -184.789 -251.781 195.964 -206.714 -34.9139 -81.7544 131.353 96.8337 -682.988 PRESSAVG: 2684200 -59.4744 -39.013 25.0299 -39.0129 63.1106 6.12172 25.0299 6.12179 -8.15447 GPRESSAVG: 2684200 -59.4887 -42.146 26.8896 -41.3642 62.019 6.15822 25.3501 5.23881 -8.31346 TIMING: 2684200 CPU: 8553.87, 0.00315623/step Wall: 8553.87, 0.00315623/step, 2.03033 hours remaining, 240.531250 MB of memory in use. ENERGY: 2684200 4020.6192 20576.5508 14519.9651 266.3278 -202910.6833 2062.0919 0.0000 0.0000 51880.1484 -109584.9801 298.1559 -161465.1285 -109228.2638 298.8572 -319.6193 -300.8970 760292.9655 -1.5061 -1.9277 LDB: ============= START OF LOAD BALANCING ============== 8566.32 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8566.32 LDB: =============== DONE WITH MIGRATION ================ 8566.32 LDB: ============= START OF LOAD BALANCING ============== 8566.63 LDB: Largest compute 7038 load 0.035144 is 18.0% of average load 0.195286 LDB: Average compute 0.004385 is 2.2% of average load 0.195286 LDB: TIME 8566.64 LOAD: AVG 0.195286 MAX 0.213387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.59 MB LDB: TIME 8566.64 LOAD: AVG 0.195286 MAX 0.213387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.797 MB LDB: TIME 8566.64 LOAD: AVG 0.195286 MAX 0.213387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.797 MB LDB: ============== END OF LOAD BALANCING =============== 8566.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8566.64 PRESSURE: 2684400 199.774 334.161 -232.596 334.161 297.469 -43.7963 -232.596 -43.7952 -164.894 GPRESSURE: 2684400 267.85 342.499 -168.313 309.642 204.715 -11.4153 -243.849 -82.9099 -42.893 PRESSAVG: 2684400 -6.09796 -15.5939 -10.8852 -15.5939 74.2608 -5.8642 -10.8852 -5.86421 6.69401 GPRESSAVG: 2684400 -4.97086 -13.8056 -10.36 -15.6454 73.211 -4.80865 -12.7858 -4.7259 7.19716 TIMING: 2684400 CPU: 8554.51, 0.00321731/step Wall: 8554.51, 0.00321731/step, 2.06944 hours remaining, 239.894531 MB of memory in use. ENERGY: 2684400 3991.9135 20291.6462 14521.4687 223.5399 -203283.3169 2569.9455 0.0000 0.0000 51994.5710 -109690.2321 298.8135 -161684.8031 -109323.9935 298.8964 110.7830 143.2240 761114.6562 24.9523 25.1458 PRESSURE: 2684600 -181.162 92.9647 -142.689 92.9653 99.9504 -41.5066 -142.689 -41.5075 -87.5431 GPRESSURE: 2684600 -17.962 54.7 -79.3825 94.219 38.86 -65.4658 -180.586 -125.856 -89.127 PRESSAVG: 2684600 -51.5178 -27.0238 0.706501 -27.0238 93.8381 -1.90353 0.706522 -1.90351 -2.79106 GPRESSAVG: 2684600 -51.8858 -26.6723 -1.84191 -24.7079 95.1243 -2.41554 2.00523 -2.77891 -3.88501 TIMING: 2684600 CPU: 8555.14, 0.00317836/step Wall: 8555.14, 0.00317836/step, 2.04422 hours remaining, 240.097656 MB of memory in use. ENERGY: 2684600 4019.9571 20540.8619 14418.0321 258.7750 -203401.0554 2605.0778 0.0000 0.0000 51787.9156 -109770.4360 297.6259 -161558.3516 -109408.9865 298.3982 -56.2517 -22.7430 761364.6805 13.1764 13.1179 PRESSURE: 2684800 277.829 -65.7432 49.644 -65.7427 -14.3032 -68.8123 49.6439 -68.8121 -205.789 GPRESSURE: 2684800 195.481 -26.0442 64.3165 -63.9281 160.528 3.54734 45.6395 -49.6271 -222.234 PRESSAVG: 2684800 -27.7033 -72.103 -25.1592 -72.1031 11.9097 -13.3931 -25.1592 -13.3931 21.4843 GPRESSAVG: 2684800 -28.2188 -73.9433 -23.4725 -71.8747 11.0873 -12.568 -24.6824 -10.4419 23.0653 TIMING: 2684800 CPU: 8555.78, 0.00315353/step Wall: 8555.78, 0.00315353/step, 2.02807 hours remaining, 240.097656 MB of memory in use. ENERGY: 2684800 3960.0593 20544.8894 14537.2031 263.9678 -203396.2786 2544.7530 0.0000 0.0000 51967.9992 -109577.4068 298.6608 -161545.4060 -109212.2420 298.7227 19.2453 44.5915 761806.3236 1.8969 1.9779 PRESSURE: 2685000 -114.436 56.6659 262.736 56.6653 270.037 120.101 262.736 120.101 197.155 GPRESSURE: 2685000 -65.6781 -14.2417 199.106 60.7228 292.819 103.709 250.066 14.8779 189.196 PRESSAVG: 2685000 13.9473 -42.1662 22.6364 -42.1662 48.6001 -1.1691 22.6363 -1.16909 -6.9584 GPRESSAVG: 2685000 14.3293 -41.4305 21.9958 -44.4835 49.9492 -2.12083 20.5288 -4.05458 -9.01038 TIMING: 2685000 CPU: 8556.41, 0.00316467/step Wall: 8556.41, 0.00316467/step, 2.03506 hours remaining, 240.097656 MB of memory in use. ENERGY: 2685000 3867.6035 20643.8604 14432.6608 236.3251 -203245.9247 2739.6724 0.0000 0.0000 52176.0070 -109149.7956 299.8562 -161325.8026 -108783.4777 299.1554 117.5853 138.7792 761640.7930 18.5297 18.4227 PRESSURE: 2685200 -287.04 -82.0265 91.3634 -82.0269 -204.733 61.8136 91.3632 61.8139 173.824 GPRESSURE: 2685200 -218.23 -47.4078 113.835 -87.2281 -187.851 16.7722 77.1873 58.6955 203.325 PRESSAVG: 2685200 -8.64183 9.31432 21.4229 9.31431 4.87279 -32.2907 21.423 -32.2906 19.1407 GPRESSAVG: 2685200 -9.23573 10.8917 19.8087 10.652 4.32629 -31.1825 23.9629 -30.5904 20.1099 TIMING: 2685200 CPU: 8557.05, 0.0032134/step Wall: 8557.05, 0.0032134/step, 2.06622 hours remaining, 240.097656 MB of memory in use. ENERGY: 2685200 3976.7801 20418.8659 14463.5236 241.6400 -202917.5153 2400.9183 0.0000 0.0000 52393.0903 -109022.6972 301.1038 -161415.7875 -108659.2628 299.9139 -105.9829 -67.5852 762588.7710 5.1239 5.0668 PRESSURE: 2685400 -182.695 114.798 -241.236 114.798 89.5263 4.78893 -241.236 4.78926 26.3734 GPRESSURE: 2685400 -78.0364 92.6906 -219.447 59.5752 89.4803 70.3421 -175.155 4.3757 -5.72134 PRESSAVG: 2685400 -27.6519 11.6345 16.0166 11.6346 29.6328 -6.97235 16.0166 -6.97232 18.0541 GPRESSAVG: 2685400 -27.3585 11.8895 17.6601 9.25822 29.4744 -5.89353 14.9895 -7.36438 17.4444 TIMING: 2685400 CPU: 8557.7, 0.00323578/step Wall: 8557.7, 0.00323577/step, 2.08042 hours remaining, 240.097656 MB of memory in use. ENERGY: 2685400 3972.2750 20527.7941 14523.8461 239.1485 -203065.6562 2445.4384 0.0000 0.0000 52230.5098 -109126.6444 300.1695 -161357.1542 -108765.8240 299.5975 -22.2652 1.9075 761395.1395 6.6783 6.5201 PRESSURE: 2685600 -153.435 -65.9772 70.0334 -65.9775 31.7939 -21.879 70.0334 -21.8787 449.157 GPRESSURE: 2685600 -152.771 20.9087 25.8946 -7.52773 160.892 -61.5176 -100.185 -19.7374 407.92 PRESSAVG: 2685600 -21.8839 3.50791 -15.8406 3.50783 22.0177 -25.0617 -15.8407 -25.0617 -2.04645 GPRESSAVG: 2685600 -21.4668 2.66836 -15.7327 4.96887 22.0588 -28.477 -14.0114 -24.6647 -1.22638 TIMING: 2685600 CPU: 8558.33, 0.00317068/step Wall: 8558.33, 0.00317068/step, 2.0384 hours remaining, 240.097656 MB of memory in use. ENERGY: 2685600 4017.8663 20505.4135 14511.9961 255.6615 -203138.7550 2531.9475 0.0000 0.0000 52083.5634 -109232.3065 299.3250 -161315.8699 -108877.9386 299.2893 109.1721 138.6804 761006.9931 -0.6376 -0.2114 PRESSURE: 2685800 95.491 -70.3578 184.658 -70.3582 185.704 49.529 184.658 49.5292 561.996 GPRESSURE: 2685800 161.129 -224.259 121.608 38.9386 208.316 53.8992 190.625 20.6521 560.738 PRESSAVG: 2685800 -62.7124 -24.9203 -31.3717 -24.9203 50.0228 0.353221 -31.3717 0.35325 3.43616 GPRESSAVG: 2685800 -62.8214 -24.3349 -32.4641 -24.6064 50.0359 1.46471 -31.8955 0.984482 3.97428 TIMING: 2685800 CPU: 8558.96, 0.00315703/step Wall: 8558.96, 0.00315703/step, 2.02944 hours remaining, 240.097656 MB of memory in use. ENERGY: 2685800 3974.6486 20693.7586 14543.2221 268.6633 -203630.1414 2750.4898 0.0000 0.0000 52383.3452 -109016.0137 301.0478 -161399.3589 -108657.5719 300.3773 281.0635 310.0614 760562.2331 -3.0845 -2.9371 PRESSURE: 2686000 221.405 -9.78745 211.405 -9.78728 -26.6859 46.7413 211.405 46.7392 178.366 GPRESSURE: 2686000 317.488 13.8793 265.292 23.5538 -34.8697 14.6431 138.303 88.676 178.607 PRESSAVG: 2686000 4.15041 10.4681 -30.1186 10.4681 27.8214 -6.25788 -30.1186 -6.25799 7.67611 GPRESSAVG: 2686000 4.51659 10.3431 -26.6394 9.36486 27.5988 -6.9309 -31.7563 -7.92572 7.56533 TIMING: 2686000 CPU: 8559.59, 0.0031297/step Wall: 8559.59, 0.0031297/step, 2.0117 hours remaining, 240.097656 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: 2686000 4046.6039 20601.2798 14521.1307 251.1727 -203509.9919 2764.4443 0.0000 0.0000 52094.7306 -109230.6299 299.3891 -161325.3605 -108864.4875 300.3026 124.3619 153.7420 761607.4092 13.2160 13.2269 PRESSURE: 2686200 -237.086 -158.021 184.971 -158.02 -297.558 -246.013 184.971 -246.014 -179.96 GPRESSURE: 2686200 -235.521 -100.71 179.693 -119.815 -213.613 -193.647 139.811 -347.583 -185.797 PRESSAVG: 2686200 4.2544 -37.4289 21.5591 -37.429 0.866947 -0.301484 21.559 -0.301437 8.42739 GPRESSAVG: 2686200 5.43429 -38.0605 19.9468 -36.6625 1.12626 0.768595 22.055 -0.492632 7.55096 TIMING: 2686200 CPU: 8560.23, 0.00318465/step Wall: 8560.23, 0.00318465/step, 2.04685 hours remaining, 240.097656 MB of memory in use. ENERGY: 2686200 3983.1139 20644.6791 14527.3072 247.6131 -203730.3074 2607.6763 0.0000 0.0000 52174.3685 -109545.5493 299.8468 -161719.9178 -109187.1650 299.8618 -238.2015 -211.6435 761964.6988 4.5162 4.7038 PRESSURE: 2686400 133.644 -215.699 -142.967 -215.699 -130.118 -169.754 -142.968 -169.752 394.182 GPRESSURE: 2686400 170.352 -253.476 -109.996 -208.444 -66.9478 -90.4981 -169.832 -188.736 376.201 PRESSAVG: 2686400 -14.7011 -5.0971 -32.7717 -5.0971 31.3954 -24.717 -32.7717 -24.7171 3.55397 GPRESSAVG: 2686400 -16.8795 -5.99307 -34.1872 -5.15507 33.1278 -26.3132 -31.8581 -21.6399 3.93211 TIMING: 2686400 CPU: 8560.87, 0.003199/step Wall: 8560.87, 0.003199/step, 2.05589 hours remaining, 240.097656 MB of memory in use. ENERGY: 2686400 3975.0521 20437.8077 14463.4492 243.9053 -203185.6554 2480.7649 0.0000 0.0000 52061.9135 -109522.7627 299.2005 -161584.6762 -109159.6213 299.5255 132.5691 159.8683 761037.8276 6.7494 6.7268 PRESSURE: 2686600 -67.0739 -89.9622 -33.9844 -89.9624 69.3281 56.5481 -33.9838 56.548 366.856 GPRESSURE: 2686600 37.4296 -60.3207 -11.6845 -62.2272 11.2049 153.206 -31.3408 112.913 383.78 PRESSAVG: 2686600 -46.0399 -41.1869 -6.77184 -41.1869 49.2431 -26.7841 -6.77184 -26.7841 -11.6684 GPRESSAVG: 2686600 -44.679 -38.5584 -6.38404 -41.5137 47.1431 -26.306 -7.57557 -29.0906 -10.9817 TIMING: 2686600 CPU: 8561.51, 0.00320181/step Wall: 8561.51, 0.00320182/step, 2.05752 hours remaining, 240.097656 MB of memory in use. ENERGY: 2686600 3925.0109 20632.6627 14528.1632 245.0255 -202947.3239 2106.3358 0.0000 0.0000 52057.4004 -109452.7253 299.1746 -161510.1257 -109096.8110 299.0363 123.0367 144.1383 759890.2508 -2.8217 -2.8392 PRESSURE: 2686800 -24.6177 37.1145 -207.515 37.1147 -322.37 350.54 -207.515 350.539 97.4538 GPRESSURE: 2686800 -1.06194 50.5357 -161.748 -37.3137 -230.802 400.09 -271.224 350.512 78.8773 PRESSAVG: 2686800 9.74344 -13.3734 -67.8949 -13.3734 2.11424 27.9555 -67.8949 27.9555 4.33821 GPRESSAVG: 2686800 9.0182 -15.0159 -67.5098 -13.2384 2.7374 27.6066 -69.1111 27.9584 5.27261 TIMING: 2686800 CPU: 8562.14, 0.00318859/step Wall: 8562.14, 0.00318859/step, 2.04884 hours remaining, 240.097656 MB of memory in use. ENERGY: 2686800 3917.5651 20602.0294 14512.1546 243.5340 -203104.7739 2552.4151 0.0000 0.0000 52203.6515 -109073.4242 300.0151 -161277.0757 -108705.4684 299.4730 -83.1779 -50.9956 761428.7547 5.3986 5.6761 PRESSURE: 2687000 -81.0959 -44.7784 -127.291 -44.7782 -191.718 36.1418 -127.291 36.1416 -459.392 GPRESSURE: 2687000 -153.628 -139.909 -144.006 -19.0487 -81.699 32.3087 -143.686 0.228289 -406.219 PRESSAVG: 2687000 -13.7619 -18.1923 -4.68301 -18.1924 57.6533 38.5325 -4.68305 38.5325 -1.18871 GPRESSAVG: 2687000 -13.4568 -17.1684 -3.9663 -18.4597 58.5698 38.7625 -2.42133 38.8448 -2.38909 TIMING: 2687000 CPU: 8562.79, 0.00321864/step Wall: 8562.79, 0.00321864/step, 2.06797 hours remaining, 240.097656 MB of memory in use. ENERGY: 2687000 3978.9788 20445.4676 14511.4761 235.6795 -202891.9861 2389.4998 0.0000 0.0000 52271.2811 -109059.6032 300.4038 -161330.8843 -108690.6508 299.7409 -244.0686 -213.8488 760753.0274 14.2342 14.2413 PRESSURE: 2687200 -371.329 58.1231 -5.53808 58.123 -37.3042 -146.813 -5.5374 -146.812 263.52 GPRESSURE: 2687200 -165.169 95.44 49.071 -37.6261 -111.934 -129.207 -140.723 -93.3816 226.06 PRESSAVG: 2687200 -3.81505 6.40787 -19.5151 6.40781 -20.8283 25.6232 -19.5151 25.6232 -9.08046 GPRESSAVG: 2687200 -2.63239 5.65388 -17.9465 5.89857 -22.7838 25.7016 -19.0611 26.9571 -8.42464 TIMING: 2687200 CPU: 8563.42, 0.00317658/step Wall: 8563.42, 0.00317658/step, 2.04078 hours remaining, 240.097656 MB of memory in use. ENERGY: 2687200 3907.0888 20668.9451 14608.5957 247.7837 -202932.6735 2448.4201 0.0000 0.0000 51969.0823 -109082.7577 298.6670 -161051.8400 -108726.1725 300.0645 -48.3713 -17.0143 759334.8213 -11.2413 -11.2803 PRESSURE: 2687400 -107.915 8.07061 17.1637 8.06987 -191.87 116.148 17.1642 116.148 -399.328 GPRESSURE: 2687400 -108.47 8.5662 -33.609 144.562 -167.67 -6.77611 8.57108 -14.2298 -359.452 PRESSAVG: 2687400 3.12033 24.0058 1.42133 24.0058 -1.26683 -11.3424 1.4214 -11.3424 18.5007 GPRESSAVG: 2687400 1.91547 25.1943 -0.612055 25.3798 0.0900962 -12.2257 -0.383516 -13.7175 18.1955 TIMING: 2687400 CPU: 8564.05, 0.00313697/step Wall: 8564.05, 0.00313697/step, 2.01515 hours remaining, 240.097656 MB of memory in use. ENERGY: 2687400 3991.9471 20642.4403 14429.9558 249.1285 -203305.0791 2243.1952 0.0000 0.0000 52425.0155 -109323.3966 301.2873 -161748.4121 -108958.0372 300.2370 -233.0374 -211.8640 761547.3443 6.7847 6.7337 PRESSURE: 2687600 -328.503 89.3758 129.214 89.3763 -296.031 -57.7854 129.213 -57.7855 54.3206 GPRESSURE: 2687600 -281.849 35.8606 114.418 204.456 -248.926 -48.4938 143.917 -92.6923 40.0118 PRESSAVG: 2687600 -8.4974 -7.22436 21.5897 -7.22432 -3.26922 -13.0025 21.5897 -13.0024 -9.58466 GPRESSAVG: 2687600 -8.18407 -8.07463 21.0427 -8.34499 -4.33721 -12.7187 22.8803 -12.4229 -9.02639 TIMING: 2687600 CPU: 8564.68, 0.00312891/step Wall: 8564.68, 0.00312891/step, 2.0098 hours remaining, 240.097656 MB of memory in use. ENERGY: 2687600 4010.3537 20659.2038 14498.1395 253.6358 -203150.2403 2324.3439 0.0000 0.0000 52002.9114 -109401.6523 298.8614 -161404.5636 -109042.0996 299.7495 -190.0711 -163.5876 762485.7750 -7.1171 -7.1826 PRESSURE: 2687800 -92.0655 91.5151 172.194 91.5146 -130.29 -218.471 172.195 -218.47 159.931 GPRESSURE: 2687800 -37.0715 87.4946 149.775 91.8366 -107.136 -188.252 213.694 -211.578 151.774 PRESSAVG: 2687800 -17.5771 -22.6413 5.46635 -22.6413 3.99492 9.77479 5.46639 9.77476 -6.00288 GPRESSAVG: 2687800 -17.4403 -22.5767 6.36152 -20.9843 4.75277 11.1338 4.0226 10.6752 -6.92286 TIMING: 2687800 CPU: 8565.31, 0.00314973/step Wall: 8565.31, 0.00314973/step, 2.023 hours remaining, 240.097656 MB of memory in use. ENERGY: 2687800 3934.6480 20737.4122 14560.3944 242.0650 -203533.5138 2505.2046 0.0000 0.0000 52180.2858 -109373.5038 299.8808 -161553.7897 -109009.9474 299.1811 -20.8081 2.5221 761042.7977 -6.5284 -6.5368 PRESSURE: 2688000 236.552 -168.049 70.3603 -168.051 18.1364 -95.1198 70.3594 -95.119 417.502 GPRESSURE: 2688000 216.554 -50.741 29.0265 -216.147 156.043 -76.2649 18.54 -84.255 394.749 PRESSAVG: 2688000 22.6105 -12.6703 7.25394 -12.6704 -16.5558 -3.22333 7.25393 -3.22336 36.1201 GPRESSAVG: 2688000 21.4223 -13.1341 7.49591 -14.3062 -16.7512 -4.50321 7.12952 -4.52544 37.342 TIMING: 2688000 CPU: 8565.94, 0.00314572/step Wall: 8565.94, 0.00314572/step, 2.02025 hours remaining, 240.097656 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: 2688000 4020.2741 20454.5076 14557.3474 260.5462 -203806.6029 2695.6207 0.0000 0.0000 52341.4309 -109476.8759 300.8069 -161818.3069 -109101.1705 299.2527 224.0637 255.7817 760812.7769 14.0583 14.0044 PRESSURE: 2688200 -41.7158 -124.761 -172.335 -124.76 2.43536 9.95175 -172.335 9.95174 -148.151 GPRESSURE: 2688200 61.6123 -68.326 -93.0782 -124.947 13.5882 96.1996 -253.177 -87.2536 -162.582 PRESSAVG: 2688200 50.9512 -11.1305 16.9023 -11.1305 -1.40193 -58.154 16.9024 -58.1541 -11.5694 GPRESSAVG: 2688200 52.8317 -10.6806 16.6985 -7.90187 -3.16627 -60.277 18.1627 -56.9634 -12.1806 TIMING: 2688200 CPU: 8566.57, 0.00317289/step Wall: 8566.57, 0.00317289/step, 2.03753 hours remaining, 240.097656 MB of memory in use. ENERGY: 2688200 4026.7703 20589.5338 14473.2606 248.7784 -203460.7688 2704.4467 0.0000 0.0000 52014.8019 -109403.1773 298.9298 -161417.9791 -109038.2971 299.5219 -62.4770 -29.1272 760275.4643 12.6600 12.4949 LDB: ============= START OF LOAD BALANCING ============== 8579.02 LDB: ============== END OF LOAD BALANCING =============== 8579.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8579.02 LDB: ============= START OF LOAD BALANCING ============== 8579.34 LDB: Largest compute 7060 load 0.035215 is 18.0% of average load 0.195388 LDB: Average compute 0.004382 is 2.2% of average load 0.195388 LDB: TIME 8579.34 LOAD: AVG 0.195388 MAX 0.211892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.719 MB LDB: TIME 8579.34 LOAD: AVG 0.195388 MAX 0.211892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.922 MB LDB: TIME 8579.34 LOAD: AVG 0.195388 MAX 0.211892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.922 MB LDB: ============== END OF LOAD BALANCING =============== 8579.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8579.35 PRESSURE: 2688400 127.153 196.508 94.119 196.507 -32.6529 44.7354 94.1189 44.7354 -159.558 GPRESSURE: 2688400 144.329 151.703 158.008 168.728 -27.5644 24.9139 5.97339 164.56 -84.3964 PRESSAVG: 2688400 25.9571 11.0979 -6.88321 11.0979 -57.7628 -64.7181 -6.88314 -64.7182 -22.167 GPRESSAVG: 2688400 23.6714 11.9558 -7.35396 9.96841 -56.1356 -62.1972 -7.41589 -65.6737 -21.676 TIMING: 2688400 CPU: 8567.21, 0.0031997/step Wall: 8567.21, 0.0031997/step, 2.05457 hours remaining, 240.261719 MB of memory in use. ENERGY: 2688400 4003.7661 20540.4036 14519.6848 253.2084 -203507.4178 2716.7894 0.0000 0.0000 51908.5150 -109565.0504 298.3189 -161473.5654 -109192.8497 299.3990 -21.6859 10.7894 760914.9926 -17.9909 -18.0467 PRESSURE: 2688600 111.782 64.2015 -91.3924 64.2001 243.115 73.8512 -91.3922 73.8493 258.841 GPRESSURE: 2688600 106.62 81.6163 -137.067 58.6736 269.462 90.1978 52.0803 101.155 317.724 PRESSAVG: 2688600 26.2282 -7.55733 -13.5101 -7.55739 -39.3056 -21.8774 -13.5101 -21.8774 0.185761 GPRESSAVG: 2688600 27.7293 -7.72291 -13.3906 -9.35028 -39.7576 -20.8788 -11.8497 -23.2662 -0.837203 TIMING: 2688600 CPU: 8567.84, 0.00314073/step Wall: 8567.84, 0.00314073/step, 2.01652 hours remaining, 240.464844 MB of memory in use. ENERGY: 2688600 3970.5989 20535.0343 14466.2772 256.9314 -203736.5278 2833.5059 0.0000 0.0000 52225.4438 -109448.7363 300.1403 -161674.1801 -109077.0044 299.3172 204.5795 231.2686 759910.3548 -4.2972 -4.2885 PRESSURE: 2688800 230.703 -178.162 -184.594 -178.162 1.39557 -65.1506 -184.593 -65.1519 -51.7112 GPRESSURE: 2688800 208.872 -109.506 -258.738 -41.6843 2.55218 -41.9048 -225.094 -80.285 26.9208 PRESSAVG: 2688800 48.0321 -18.8124 19.4232 -18.8124 -27.0002 12.0899 19.4232 12.09 5.20481 GPRESSAVG: 2688800 47.0851 -19.5213 19.7271 -17.9067 -27.0628 11.8419 17.7764 12.88 6.22189 TIMING: 2688800 CPU: 8568.47, 0.00313723/step Wall: 8568.47, 0.00313723/step, 2.0141 hours remaining, 240.464844 MB of memory in use. ENERGY: 2688800 3985.9342 20660.0494 14595.1198 240.1618 -203765.0710 2842.9666 0.0000 0.0000 51910.7888 -109530.0502 298.3320 -161440.8391 -109164.8122 299.5203 60.1292 79.4482 759886.0519 8.7456 8.7481 PRESSURE: 2689000 -50.5073 171.202 17.0339 171.201 -130.252 143.394 17.0336 143.396 -330.173 GPRESSURE: 2689000 -60.439 151.213 71.6964 1.55185 -87.6046 81.6489 -113.509 146.387 -277.01 PRESSAVG: 2689000 39.5772 -27.0769 -14.7343 -27.0769 -4.41254 4.59025 -14.7343 4.59016 1.286 GPRESSAVG: 2689000 40.5182 -27.8698 -13.1439 -28.2978 -4.47211 2.41814 -17.4797 4.48451 1.13305 TIMING: 2689000 CPU: 8569.1, 0.00315177/step Wall: 8569.1, 0.00315177/step, 2.02326 hours remaining, 240.464844 MB of memory in use. ENERGY: 2689000 4033.5165 20580.0905 14427.9357 235.5613 -203428.9657 2560.1755 0.0000 0.0000 51881.3516 -109710.3347 298.1628 -161591.6863 -109343.4296 299.1569 -170.3107 -141.6844 760100.6673 12.1502 12.3930 PRESSURE: 2689200 -130.409 -7.45812 33.4185 -7.45899 -498.854 66.6192 33.4187 66.6188 -228.986 GPRESSURE: 2689200 -135.89 -75.719 -14.5038 -4.92627 -430.279 87.6432 -38.8312 135.46 -194.062 PRESSAVG: 2689200 40.7094 -9.21118 -33.4693 -9.21121 -43.0571 -0.325348 -33.4692 -0.325343 -0.0698077 GPRESSAVG: 2689200 39.8713 -9.95809 -36.1375 -8.18627 -41.4214 0.718736 -32.4773 0.787346 -0.869956 TIMING: 2689200 CPU: 8569.73, 0.00314735/step Wall: 8569.73, 0.00314735/step, 2.02025 hours remaining, 240.464844 MB of memory in use. ENERGY: 2689200 4128.4533 20378.9605 14524.1447 248.2576 -203174.6922 2131.1628 0.0000 0.0000 52025.1949 -109738.5184 298.9895 -161763.7133 -109379.5478 298.7760 -286.0831 -253.4102 759237.7311 -0.8058 -0.8067 PRESSURE: 2689400 5.62889 105.321 70.2725 105.321 94.82 -203.972 70.2728 -203.973 -160.154 GPRESSURE: 2689400 55.0391 31.2854 -9.51842 71.5726 93.6721 -174.015 88.7137 -222.055 -110.91 PRESSAVG: 2689400 -3.53084 -81.6149 -23.5452 -81.615 -16.9 11.1675 -23.5452 11.1675 -10.139 GPRESSAVG: 2689400 -1.71069 -81.5758 -23.6095 -81.1614 -19.9201 11.5202 -22.8155 10.6152 -9.29271 TIMING: 2689400 CPU: 8570.35, 0.00313162/step Wall: 8570.35, 0.00313162/step, 2.00998 hours remaining, 240.464844 MB of memory in use. ENERGY: 2689400 4026.6750 20568.6591 14440.6181 235.6847 -203144.4859 2376.9309 0.0000 0.0000 51870.0072 -109625.9109 298.0976 -161495.9181 -109251.8704 298.6859 -19.9017 12.6003 759669.3567 -10.1899 -10.3078 PRESSURE: 2689600 152.665 -93.1579 203.567 -93.1579 -213.649 201.482 203.568 201.482 172.521 GPRESSURE: 2689600 185.607 -23.1497 156.76 -9.40742 -123.146 238.267 164.743 58.7167 120.477 PRESSAVG: 2689600 36.1775 -24.5301 46.9828 -24.53 -52.6084 -14.3894 46.9828 -14.3894 -38.4536 GPRESSAVG: 2689600 34.3292 -24.0056 47.5519 -25.601 -50.4687 -13.5134 47.7967 -14.459 -39.3395 TIMING: 2689600 CPU: 8570.98, 0.00313617/step Wall: 8570.98, 0.00313617/step, 2.01272 hours remaining, 240.464844 MB of memory in use. ENERGY: 2689600 4050.7809 20527.4831 14453.9850 255.4421 -203636.2073 2411.6199 0.0000 0.0000 52218.5136 -109718.3827 300.1005 -161936.8963 -109368.0306 299.2342 37.1791 60.9794 759263.0790 -18.2948 -18.4930 PRESSURE: 2689800 -49.7485 -45.1889 52.5538 -45.1895 74.4716 44.1313 52.5537 44.1322 -176.903 GPRESSURE: 2689800 79.1196 -150.992 43.5487 -41.8672 34.8219 -22.1487 -83.4005 84.5776 -186.498 PRESSAVG: 2689800 21.7552 -51.0085 24.2218 -51.0085 -11.9525 11.2808 24.2217 11.2808 31.1256 GPRESSAVG: 2689800 21.4461 -51.2449 24.7554 -50.473 -12.8555 9.61694 22.5793 10.6917 32.557 TIMING: 2689800 CPU: 8571.61, 0.00313501/step Wall: 8571.61, 0.00313501/step, 2.01181 hours remaining, 240.464844 MB of memory in use. ENERGY: 2689800 4021.7954 20622.6896 14455.9542 246.9147 -203719.8566 2441.5427 0.0000 0.0000 52024.7200 -109906.2399 298.9868 -161930.9599 -109545.7042 298.7950 -50.7268 -24.1854 759794.5668 13.6428 13.7159 PRESSURE: 2690000 -58.1037 256.644 -43.6041 256.644 -88.5829 98.5773 -43.604 98.5776 98.8813 GPRESSURE: 2690000 -27.5079 183.484 -9.3544 278.178 -84.1067 30.4163 93.3053 44.9277 148.426 PRESSAVG: 2690000 74.777 -9.15254 -20.2369 -9.15254 -93.9948 26.4142 -20.2369 26.4142 4.11395 GPRESSAVG: 2690000 75.372 -6.63482 -20.3847 -9.54688 -94.2163 27.7017 -19.2302 27.5513 3.34458 TIMING: 2690000 CPU: 8572.23, 0.00313333/step Wall: 8572.23, 0.00313333/step, 2.01056 hours remaining, 240.464844 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: 2690000 4009.2286 20575.9206 14421.5838 225.5071 -203591.8456 2423.6965 0.0000 0.0000 51764.5926 -110171.3165 297.4918 -161935.9091 -109812.2988 298.2450 -15.9351 12.2706 759415.5172 -5.0346 -5.1666 PRESSURE: 2690200 -229.685 113.786 -184.972 113.786 -76.9899 86.5247 -184.971 86.5253 239.839 GPRESSURE: 2690200 -137.76 68.4755 -214.946 68.0073 -47.5396 154.249 -76.5839 88.6406 203.97 PRESSAVG: 2690200 17.9026 -41.6257 -29.1442 -41.6258 -20.2977 34.1237 -29.1442 34.1237 19.6963 GPRESSAVG: 2690200 16.592 -43.5029 -31.2889 -41.2009 -18.6069 33.5018 -27.0716 33.7766 19.2874 TIMING: 2690200 CPU: 8572.86, 0.00313185/step Wall: 8572.86, 0.00313185/step, 2.00943 hours remaining, 240.464844 MB of memory in use. ENERGY: 2690200 4002.4468 20655.3783 14497.9559 245.6795 -203699.7308 2470.2765 0.0000 0.0000 51903.5864 -109924.4073 298.2906 -161827.9937 -109563.8107 298.1483 -22.2784 6.2236 759252.0661 5.7671 5.7575 PRESSURE: 2690400 -178.32 -84.7247 341.986 -84.7248 -6.99185 -46.4927 341.985 -46.4919 -162.545 GPRESSURE: 2690400 -158.027 -9.24929 283.461 -27.9892 15.322 -31.6225 279.181 129.075 -115.898 PRESSAVG: 2690400 0.00201995 -15.8437 -18.6661 -15.8437 -10.8613 15.8065 -18.666 15.8066 14.4981 GPRESSAVG: 2690400 1.03865 -16.5096 -16.4921 -16.1825 -11.8579 16.0403 -20.4735 17.1493 15.0051 TIMING: 2690400 CPU: 8573.49, 0.00313957/step Wall: 8573.49, 0.00313957/step, 2.01421 hours remaining, 240.464844 MB of memory in use. ENERGY: 2690400 4036.9726 20554.8683 14548.8613 244.0651 -203962.8438 2796.1082 0.0000 0.0000 51974.9001 -109807.0681 298.7005 -161781.9682 -109454.2758 298.5828 -115.9523 -86.2010 760177.0836 1.2129 1.3953 PRESSURE: 2690600 216.271 -152.637 96.2452 -152.636 34.531 -290.874 96.2452 -290.874 -48.1567 GPRESSURE: 2690600 200.982 -130.67 63.4027 -132.283 96.0552 -310.263 4.06618 -302.717 -20.8006 PRESSAVG: 2690600 38.6138 -40.1975 -6.04613 -40.1976 -18.604 2.31857 -6.0461 2.31866 -11.1928 GPRESSAVG: 2690600 38.5033 -39.5237 -5.48313 -38.5171 -18.8857 3.60849 -6.36594 -0.122733 -10.9103 TIMING: 2690600 CPU: 8574.12, 0.00314824/step Wall: 8574.12, 0.00314824/step, 2.0196 hours remaining, 240.464844 MB of memory in use. ENERGY: 2690600 4050.0219 20476.5875 14630.1120 241.3909 -204155.6651 2878.6394 0.0000 0.0000 52144.5743 -109734.3390 299.6756 -161878.9133 -109377.7207 299.3984 67.5485 92.0790 758525.6706 2.9390 2.9025 PRESSURE: 2690800 -277.66 22.7867 -65.0057 22.7871 266.332 97.9209 -65.0041 97.921 -422.805 GPRESSURE: 2690800 -231.117 -8.2176 -47.9856 -77.5668 245.685 38.3924 88.4558 117.617 -360.741 PRESSAVG: 2690800 -18.8572 -53.4653 2.18368 -53.4653 18.175 31.0838 2.18368 31.0836 -3.41642 GPRESSAVG: 2690800 -18.3907 -54.0119 0.199203 -54.6225 18.9858 28.8029 4.26634 32.0209 -4.3858 TIMING: 2690800 CPU: 8574.74, 0.00313728/step Wall: 8574.74, 0.00313728/step, 2.01239 hours remaining, 240.464844 MB of memory in use. ENERGY: 2690800 3927.6660 20516.5914 14560.0140 242.0311 -204003.2015 2522.2072 0.0000 0.0000 52412.2549 -109822.4369 301.2139 -162234.6918 -109456.7555 298.9742 -144.7109 -115.3911 759038.9233 -1.3662 -1.2636 PRESSURE: 2691000 105.078 -105.767 -248.908 -105.767 242.294 222.282 -248.908 222.282 538.666 GPRESSURE: 2691000 170.995 -77.6537 -222.479 -83.9617 260.508 209.568 -162.179 235.189 537.926 PRESSAVG: 2691000 1.42695 -57.7219 -5.76091 -57.722 22.1099 -9.83826 -5.76096 -9.83823 7.14249 GPRESSAVG: 2691000 1.41658 -56.9969 -3.28627 -58.5431 21.6105 -8.60942 -7.29073 -10.3849 7.14191 TIMING: 2691000 CPU: 8575.37, 0.00314092/step Wall: 8575.37, 0.00314092/step, 2.01455 hours remaining, 240.464844 MB of memory in use. ENERGY: 2691000 3938.2462 20576.1576 14607.9187 254.1542 -203395.6021 2418.3861 0.0000 0.0000 51908.9323 -109691.8070 298.3213 -161600.7393 -109325.7473 299.3397 295.3463 323.1431 759327.2055 10.2264 10.0563 PRESSURE: 2691200 -109.656 -0.827052 33.4394 -0.826536 -246.289 10.6816 33.4392 10.6824 -103.177 GPRESSURE: 2691200 -228.827 97.1805 17.5716 67.182 -175.4 -56.6884 35.8669 31.2022 41.7274 PRESSAVG: 2691200 -21.1635 -26.57 -38.8424 -26.57 6.06375 6.2763 -38.8423 6.27634 -28.6847 GPRESSAVG: 2691200 -22.0968 -28.1953 -40.1694 -24.7638 6.41345 5.9617 -38.5133 6.69516 -28.3725 TIMING: 2691200 CPU: 8576, 0.00311731/step Wall: 8576, 0.00311731/step, 1.99924 hours remaining, 240.464844 MB of memory in use. ENERGY: 2691200 3942.7579 20469.8295 14539.2092 239.6037 -203499.9489 2313.8236 0.0000 0.0000 52304.4480 -109690.2770 300.5944 -161994.7250 -109322.7312 298.8654 -153.0407 -120.8330 760032.4723 -14.5948 -14.6853 PRESSURE: 2691400 291.169 -54.0487 151.152 -54.049 165.37 206.252 151.152 206.253 -72.7998 GPRESSURE: 2691400 246.992 -100.959 121.425 45.1925 266.961 284.401 54.0027 156.741 -63.1889 PRESSAVG: 2691400 -5.23461 -23.462 -28.5149 -23.462 0.753832 2.9505 -28.5149 2.9504 7.80719 GPRESSAVG: 2691400 -5.49149 -22.3666 -30.224 -22.9251 0.85173 3.35178 -28.4116 2.38173 7.65764 TIMING: 2691400 CPU: 8576.62, 0.00314077/step Wall: 8576.62, 0.00314076/step, 2.0141 hours remaining, 240.464844 MB of memory in use. ENERGY: 2691400 4009.2668 20370.4893 14556.8595 230.0892 -203793.6908 2677.4914 0.0000 0.0000 52209.5366 -109739.9580 300.0489 -161949.4947 -109366.8760 298.8487 127.9131 150.2546 759750.9750 1.1088 1.0060 PRESSURE: 2691600 2.92717 39.7161 -293.032 39.7166 121.4 -151.866 -293.031 -151.866 236.271 GPRESSURE: 2691600 19.9378 3.55508 -264.248 -35.3154 144.408 -97.5525 -252.896 -64.729 268.24 PRESSAVG: 2691600 -61.7217 -13.7362 -19.294 -13.7362 46.2798 -19.2188 -19.2939 -19.2189 13.8902 GPRESSAVG: 2691600 -61.5655 -13.6179 -16.9611 -15.5065 46.0457 -20.6972 -20.5542 -18.6513 14.1096 TIMING: 2691600 CPU: 8577.25, 0.00313409/step Wall: 8577.25, 0.00313409/step, 2.00965 hours remaining, 240.464844 MB of memory in use. ENERGY: 2691600 4009.3966 20401.0132 14580.6360 238.8368 -203758.5049 2820.0601 0.0000 0.0000 52053.2313 -109655.3308 299.1506 -161708.5621 -109283.7485 299.0380 120.1992 144.1954 760234.2250 -0.5172 -0.4701 PRESSURE: 2691800 67.269 -19.0547 -141.099 -19.0548 -167.929 63.4044 -141.098 63.4031 93.6371 GPRESSURE: 2691800 103.577 42.5666 -129.947 85.2959 -107.982 -13.3304 -24.7157 54.7768 79.9742 PRESSAVG: 2691800 13.9026 -42.5103 -10.9544 -42.5102 -13.8799 -8.63986 -10.9544 -8.63973 2.94443 GPRESSAVG: 2691800 14.4245 -42.5803 -11.5261 -42.2819 -15.3529 -9.0662 -7.79526 -8.89745 3.35884 TIMING: 2691800 CPU: 8577.88, 0.00313037/step Wall: 8577.88, 0.00313037/step, 2.00709 hours remaining, 240.464844 MB of memory in use. ENERGY: 2691800 3964.5500 20361.4815 14548.6059 248.1879 -203417.5308 2448.2690 0.0000 0.0000 52173.8677 -109672.5687 299.8439 -161846.4364 -109294.2708 298.9232 -2.3410 25.1897 759265.3690 0.9890 0.8101 PRESSURE: 2692000 -39.091 22.0998 169.362 22.1005 84.2552 -131.349 169.362 -131.348 195.529 GPRESSURE: 2692000 20.3647 -27.5479 154.74 -44.8805 163.267 -62.6776 175.411 -131.541 137.799 PRESSAVG: 2692000 -16.6573 -55.371 68.6866 -55.371 -46.6623 10.8881 68.6866 10.888 -11.0086 GPRESSAVG: 2692000 -16.1252 -55.029 66.3056 -54.3887 -45.0771 12.4355 68.6226 12.1526 -12.4497 TIMING: 2692000 CPU: 8578.5, 0.00311633/step Wall: 8578.5, 0.00311633/step, 1.99791 hours remaining, 240.464844 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: 2692000 3954.3530 20490.7641 14523.9265 254.1132 -203583.5804 2718.6901 0.0000 0.0000 51918.4194 -109723.3141 298.3759 -161641.7335 -109363.0925 298.8308 80.2311 107.1434 761914.0737 -24.7761 -24.5507 PRESSURE: 2692200 52.1623 82.6913 84.3445 82.6905 163.945 80.6762 84.3449 80.6757 -214.46 GPRESSURE: 2692200 129.192 29.6374 72.2537 -108.48 195.777 111.29 109.08 186.692 -241.343 PRESSAVG: 2692200 10.4497 -45.2809 34.8037 -45.2809 -1.28249 -34.8449 34.8037 -34.8449 2.29102 GPRESSAVG: 2692200 10.5252 -43.9611 36.0716 -47.7243 -1.22075 -34.3187 34.3134 -35.163 1.97249 TIMING: 2692200 CPU: 8579.12, 0.00312256/step Wall: 8579.12, 0.00312256/step, 2.00173 hours remaining, 240.464844 MB of memory in use. ENERGY: 2692200 3943.8383 20448.7213 14556.9812 237.5194 -203346.6449 2547.7516 0.0000 0.0000 51725.1757 -109886.6573 297.2653 -161611.8330 -109529.1203 299.0792 0.5492 27.8752 760958.7918 3.8194 3.7590 LDB: ============= START OF LOAD BALANCING ============== 8591.57 LDB: ============== END OF LOAD BALANCING =============== 8591.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8591.58 LDB: ============= START OF LOAD BALANCING ============== 8591.89 LDB: Largest compute 7038 load 0.034689 is 17.7% of average load 0.195478 LDB: Average compute 0.004378 is 2.2% of average load 0.195478 LDB: TIME 8591.89 LOAD: AVG 0.195478 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.75 MB LDB: TIME 8591.89 LOAD: AVG 0.195478 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.844 MB LDB: TIME 8591.89 LOAD: AVG 0.195478 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.844 MB LDB: ============== END OF LOAD BALANCING =============== 8591.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8591.9 PRESSURE: 2692400 -256.835 115.11 -100.261 115.11 -24.0496 44.3912 -100.261 44.3915 8.94985 GPRESSURE: 2692400 -157.969 186.801 -131.897 146.859 -70.6048 33.0939 45.2029 92.9706 53.8529 PRESSAVG: 2692400 -25.6322 -19.6372 58.0038 -19.6372 54.3757 -31.0408 58.0038 -31.0409 5.75425 GPRESSAVG: 2692400 -25.1935 -20.3455 58.4899 -19.4113 53.2138 -32.6099 56.4644 -31.9199 6.59598 TIMING: 2692400 CPU: 8579.76, 0.00318692/step Wall: 8579.76, 0.00318692/step, 2.04281 hours remaining, 240.667969 MB of memory in use. ENERGY: 2692400 3985.7621 20504.2664 14557.1696 260.5968 -203617.6031 2492.0089 0.0000 0.0000 52240.1929 -109577.6064 300.2251 -161817.7993 -109220.0036 298.7242 -90.6450 -58.2402 761087.6060 11.4992 11.5387 PRESSURE: 2692600 -62.3978 -41.2176 -56.7386 -41.2176 71.9455 0.732395 -56.7387 0.731882 271.095 GPRESSURE: 2692600 50.8263 -22.5557 12.1566 -62.714 89.42 -29.2233 -94.7666 24.4731 214.468 PRESSAVG: 2692600 -26.2957 -3.98535 12.8671 -3.98536 1.18936 -55.8395 12.8671 -55.8395 -18.1915 GPRESSAVG: 2692600 -26.1261 -3.11263 12.6279 -4.34692 1.48108 -56.0955 14.1928 -57.2056 -18.7263 TIMING: 2692600 CPU: 8580.38, 0.00309806/step Wall: 8580.38, 0.00309806/step, 1.98569 hours remaining, 240.667969 MB of memory in use. ENERGY: 2692600 3943.9676 20459.2033 14503.8412 261.2357 -203727.9105 2753.7722 0.0000 0.0000 52240.8643 -109565.0263 300.2290 -161805.8906 -109198.2210 299.2551 93.5476 118.2383 761804.0306 -14.4326 -14.4571 PRESSURE: 2692800 -99.7368 -80.3291 149.639 -80.3292 344.816 -34.2883 149.639 -34.289 -156.089 GPRESSURE: 2692800 80.2695 -45.8276 116.09 -114.172 210.58 -116.068 41.7782 -42.4633 -132.271 PRESSAVG: 2692800 38.395 21.308 -22.7808 21.308 -0.673851 -2.15069 -22.7807 -2.15065 11.4922 GPRESSAVG: 2692800 37.9756 21.6749 -23.4528 21.3312 -0.853281 -0.982803 -23.8515 1.31218 12.4528 TIMING: 2692800 CPU: 8581.01, 0.00312922/step Wall: 8581.01, 0.00312922/step, 2.00549 hours remaining, 240.667969 MB of memory in use. ENERGY: 2692800 3878.7202 20608.9104 14522.7447 249.4158 -203296.8096 2657.6209 0.0000 0.0000 51934.0956 -109445.3021 298.4660 -161379.3977 -109096.7977 299.0770 29.6634 52.8594 761972.2824 16.4045 16.5251 PRESSURE: 2693000 -153.758 -159.669 -45.8732 -159.669 -445.068 244.345 -45.8731 244.345 -315.195 GPRESSURE: 2693000 -114.526 -128.28 -65.1504 -88.244 -332.038 293.665 17.953 135.862 -359.025 PRESSAVG: 2693000 44.9683 -18.8387 0.0780535 -18.8387 -40.1479 21.3834 0.0780891 21.3834 22.396 GPRESSAVG: 2693000 45.2306 -19.2392 1.31376 -18.8183 -40.1448 20.2485 0.17744 19.8034 22.2632 TIMING: 2693000 CPU: 8581.63, 0.00312689/step Wall: 8581.63, 0.00312689/step, 2.00382 hours remaining, 240.667969 MB of memory in use. ENERGY: 2693000 4060.9530 20562.2209 14517.2777 262.7397 -203001.8825 2250.4654 0.0000 0.0000 51917.1855 -109431.0403 298.3688 -161348.2258 -109072.3483 299.3494 -304.6734 -268.5295 762306.4512 9.0721 9.1163 PRESSURE: 2693200 219.155 147.729 -71.271 147.729 144.035 95.5713 -71.2707 95.5705 235.222 GPRESSURE: 2693200 265.033 133.832 -93.2418 232.031 168.772 67.8378 -110.098 -19.925 269.703 PRESSAVG: 2693200 70.8835 -15.5373 27.5609 -15.5373 -9.68158 -9.85372 27.5609 -9.85372 15.1077 GPRESSAVG: 2693200 69.9937 -16.5083 28.1997 -14.5673 -8.94662 -7.69917 25.5706 -9.79596 15.2741 TIMING: 2693200 CPU: 8582.26, 0.00312948/step Wall: 8582.26, 0.00312948/step, 2.0053 hours remaining, 240.667969 MB of memory in use. ENERGY: 2693200 3983.8920 20480.0424 14509.6710 237.1294 -203656.3547 2969.4413 0.0000 0.0000 52215.4373 -109260.7413 300.0828 -161476.1786 -108906.1302 299.3734 199.4708 234.5026 761165.4770 25.4365 25.4404 PRESSURE: 2693400 -67.0442 100.58 -1.32468 100.579 -216.878 -157.675 -1.32444 -157.675 92.8981 GPRESSURE: 2693400 -72.23 42.1348 66.1662 8.73493 -190.451 -105.412 60.5148 -179.028 170.764 PRESSAVG: 2693400 -3.28075 -4.43726 18.3792 -4.43718 8.72062 25.2753 18.3791 25.2753 -5.13147 GPRESSAVG: 2693400 -3.05024 -6.79106 17.1508 -4.37178 8.73934 24.5083 21.0653 22.2091 -4.75269 TIMING: 2693400 CPU: 8582.88, 0.00311928/step Wall: 8582.88, 0.00311928/step, 1.99859 hours remaining, 240.667969 MB of memory in use. ENERGY: 2693400 4031.1482 20572.0492 14609.4484 243.1844 -203452.5619 2621.1149 0.0000 0.0000 52229.2877 -109146.3290 300.1624 -161375.6167 -108781.4935 299.9185 -63.6748 -30.6393 762969.2116 0.1028 0.3121 PRESSURE: 2693600 -397.166 153.009 159.499 153.009 -22.5774 -155.635 159.499 -155.636 -23.3506 GPRESSURE: 2693600 -399.282 120.11 183.631 169.896 24.7268 -90.0507 83.1738 -198.884 -8.78706 PRESSAVG: 2693600 -52.2146 1.21651 -3.71269 1.21649 14.2426 11.8784 -3.71264 11.8785 -9.08473 GPRESSAVG: 2693600 -50.7514 1.40482 -3.79569 -0.361528 13.3055 12.6717 -2.26865 15.6001 -9.01065 TIMING: 2693600 CPU: 8583.5, 0.00311119/step Wall: 8583.5, 0.00311119/step, 1.99324 hours remaining, 240.667969 MB of memory in use. ENERGY: 2693600 3971.9884 20620.3100 14564.8049 242.9292 -203204.0517 2660.6973 0.0000 0.0000 52010.5269 -109132.7951 298.9052 -161143.3220 -108769.3008 299.6519 -147.6980 -127.7807 764577.4789 -15.6856 -15.4855 PRESSURE: 2693800 76.2524 -316.682 301.73 -316.682 -160.984 7.98851 301.729 7.98806 54.0666 GPRESSURE: 2693800 104.463 -175.62 341.336 -318.624 -104.638 -22.4716 65.7908 13.1067 50.6294 PRESSAVG: 2693800 -49.0355 9.84176 23.7464 9.84176 91.3721 49.7714 23.7464 49.7714 -8.6333 GPRESSAVG: 2693800 -49.5535 9.75621 24.3338 10.9659 91.5254 46.7363 19.2409 48.6322 -8.89649 TIMING: 2693800 CPU: 8584.13, 0.00313957/step Wall: 8584.13, 0.00313957/step, 2.01124 hours remaining, 240.667969 MB of memory in use. ENERGY: 2693800 3972.7400 20562.0108 14584.2624 262.0107 -203289.9345 2548.1443 0.0000 0.0000 52030.1131 -109330.6532 299.0178 -161360.7663 -108976.3486 299.5739 -10.2216 16.8181 761688.3525 11.2344 11.0251 PRESSURE: 2694000 -258.128 228.024 123.796 228.024 130.796 266.043 123.797 266.041 -67.0729 GPRESSURE: 2694000 -262.951 292.942 236.343 76.7776 195.089 284.726 161.521 192.233 -41.329 PRESSAVG: 2694000 -15.8267 4.97174 36.9219 4.97172 12.664 19.4858 36.922 19.4857 5.32492 GPRESSAVG: 2694000 -16.3015 5.48674 35.3282 3.2795 13.9441 20.5105 37.4236 18.5331 5.55203 TIMING: 2694000 CPU: 8584.76, 0.00314465/step Wall: 8584.76, 0.00314465/step, 2.01432 hours remaining, 240.667969 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: 2694000 3915.5259 20543.9422 14558.3685 244.9748 -203517.1786 2668.2759 0.0000 0.0000 52100.6581 -109485.4331 299.4232 -161586.0912 -109125.0483 299.0646 -64.8018 -36.3972 759751.2203 0.7207 1.0649 PRESSURE: 2694200 -56.3477 -88.9051 305.136 -88.905 91.2381 129.2 305.136 129.201 4.41702 GPRESSURE: 2694200 -56.7466 -43.2086 167.385 -66.0318 176.194 119.013 235.593 132.448 26.1832 PRESSAVG: 2694200 -21.76 -28.4784 60.0429 -28.4784 -6.22359 42.933 60.0428 42.933 -1.53647 GPRESSAVG: 2694200 -21.4604 -27.4001 61.102 -28.5618 -5.78728 43.8453 61.9854 43.3675 -1.44883 TIMING: 2694200 CPU: 8585.39, 0.00312274/step Wall: 8585.39, 0.00312274/step, 2.00011 hours remaining, 240.667969 MB of memory in use. ENERGY: 2694200 3950.7612 20486.6293 14562.1689 245.5974 -203872.7013 2900.7552 0.0000 0.0000 52290.8403 -109435.9489 300.5162 -161726.7892 -109069.2987 299.0703 13.1025 48.5436 760839.7269 -9.8400 -9.5655 PRESSURE: 2694400 91.4438 -32.2786 76.9148 -32.2793 10.5886 -49.3275 76.9152 -49.3277 -230.56 GPRESSURE: 2694400 144.732 40.531 68.4897 -82.2368 94.5978 -24.9405 198.524 -44.0831 -261.759 PRESSAVG: 2694400 7.41317 -15.8876 52.7398 -15.8877 50.3163 2.47145 52.7397 2.47145 15.7451 GPRESSAVG: 2694400 8.90758 -15.1161 52.84 -18.3955 48.7163 2.31443 52.7442 1.77132 15.6407 TIMING: 2694400 CPU: 8586.01, 0.00312999/step Wall: 8586.01, 0.00312999/step, 2.00458 hours remaining, 240.667969 MB of memory in use. ENERGY: 2694400 3953.1382 20417.5802 14507.0359 243.4660 -203256.4775 2530.9442 0.0000 0.0000 52206.0288 -109398.2842 300.0288 -161604.3130 -109032.7683 298.9265 -42.8426 -7.4766 761065.3402 24.4915 24.4215 PRESSURE: 2694600 88.012 63.5797 -396.358 63.5808 183.608 81.1563 -396.359 81.1571 168.876 GPRESSURE: 2694600 125.338 23.5758 -314.698 65.4167 206.891 6.05557 -342.508 54.0505 210.709 PRESSAVG: 2694600 1.40779 -48.0362 7.58364 -48.0362 34.3678 -59.0678 7.58364 -59.0678 -9.06563 GPRESSAVG: 2694600 0.139097 -50.3796 7.61715 -44.5228 35.6578 -60.3503 8.16448 -58.062 -8.7946 TIMING: 2694600 CPU: 8586.64, 0.00314691/step Wall: 8586.64, 0.0031469/step, 2.01524 hours remaining, 240.667969 MB of memory in use. ENERGY: 2694600 3937.7095 20728.0638 14534.3612 251.8642 -203549.8698 2799.4033 0.0000 0.0000 52158.5177 -109139.9502 299.7557 -161298.4678 -108778.4298 299.6836 146.8320 180.9795 762857.6315 8.9033 9.0008 PRESSURE: 2694800 -145.772 -104.077 94.4278 -104.077 194.969 -51.9252 94.4279 -51.9262 29.9747 GPRESSURE: 2694800 -129.325 -136.241 35.3239 49.4736 269.004 -87.5355 80.709 -163.964 23.1636 PRESSAVG: 2694800 -58.3086 -40.0735 -29.6962 -40.0735 61.1989 -37.4 -29.6962 -37.4001 6.30054 GPRESSAVG: 2694800 -57.8356 -38.6874 -29.8126 -39.8171 60.8057 -37.1214 -31.2496 -38.0576 6.21656 TIMING: 2694800 CPU: 8587.27, 0.00313958/step Wall: 8587.27, 0.00313958/step, 2.01038 hours remaining, 240.667969 MB of memory in use. ENERGY: 2694800 4027.2082 20526.9278 14496.2975 258.2544 -203318.0317 2687.7051 0.0000 0.0000 52249.7164 -109071.9222 300.2798 -161321.6386 -108706.9499 299.9434 26.3904 54.2808 760996.1286 3.0636 3.0622 PRESSURE: 2695000 -45.7296 -90.7964 -79.8722 -90.7967 30.188 127.839 -79.8728 127.838 -319.161 GPRESSURE: 2695000 -114.629 -186.475 15.8531 -99.9507 114.606 81.056 -72.4552 233.287 -260.866 PRESSAVG: 2695000 34.7341 -43.6519 26.5669 -43.652 -21.5304 -1.55462 26.567 -1.55468 -12.0128 GPRESSAVG: 2695000 34.0746 -44.3266 26.8345 -44.4801 -20.6188 -0.722845 29.3288 -2.39061 -12.167 TIMING: 2695000 CPU: 8587.9, 0.00314434/step Wall: 8587.9, 0.00314434/step, 2.01325 hours remaining, 240.667969 MB of memory in use. ENERGY: 2695000 4089.7580 20698.8757 14525.2040 235.7346 -203389.4946 2673.9338 0.0000 0.0000 52227.2484 -108938.7402 300.1507 -161165.9885 -108585.0265 300.1778 -111.5677 -86.9627 761120.5699 0.3969 0.4296 PRESSURE: 2695200 -160.571 -93.1981 60.8617 -93.1985 -120.663 -326.452 60.8614 -326.453 -207.056 GPRESSURE: 2695200 -114.879 -20.3982 14.4935 -235.9 -48.8954 -336.65 111.393 -396.351 -238.131 PRESSAVG: 2695200 -12.9298 -22.4194 46.5884 -22.4194 40.5654 -7.89759 46.5884 -7.89753 3.3007 GPRESSAVG: 2695200 -11.3798 -21.9587 45.8494 -21.8931 40.1631 -7.43474 45.0775 -8.03567 2.02759 TIMING: 2695200 CPU: 8588.52, 0.00312183/step Wall: 8588.52, 0.00312183/step, 1.99867 hours remaining, 240.667969 MB of memory in use. ENERGY: 2695200 4071.0397 20709.0882 14467.4252 262.3488 -202544.5072 2008.9136 0.0000 0.0000 52100.3109 -108925.3809 299.4212 -161025.6918 -108565.9069 300.7008 -162.7635 -133.9683 761179.6422 10.3121 10.2703 PRESSURE: 2695400 -308.669 22.2176 102.057 22.2181 -139.51 -52.1581 102.056 -52.1581 82.5099 GPRESSURE: 2695400 -214.642 65.9176 84.5006 3.85435 -69.006 -132.871 -33.2499 -5.42336 13.1449 PRESSAVG: 2695400 -31.1425 -65.9922 3.66498 -65.9922 0.308448 -46.4566 3.66501 -46.4565 11.1165 GPRESSAVG: 2695400 -32.6244 -64.0639 4.70181 -67.5277 0.07579 -47.8251 2.36565 -43.2114 12.7927 TIMING: 2695400 CPU: 8589.14, 0.00310785/step Wall: 8589.14, 0.00310785/step, 1.98954 hours remaining, 240.667969 MB of memory in use. ENERGY: 2695400 4003.8584 20635.4834 14511.4175 244.9103 -202846.5149 2227.2414 0.0000 0.0000 52330.3357 -108893.2681 300.7432 -161223.6038 -108534.3381 300.6847 -121.8897 -90.1677 761610.1631 -6.5725 -6.5853 PRESSURE: 2695600 -258.552 -70.3722 59.0831 -70.3713 -220.142 -114.902 59.0824 -114.903 -307.39 GPRESSURE: 2695600 -221.723 -22.9434 9.63164 88.0701 -156.513 -117.824 132.558 -93.1195 -312.777 PRESSAVG: 2695600 -7.65176 -30.7072 8.22507 -30.7073 12.7375 -15.2206 8.22509 -15.2205 18.9739 GPRESSAVG: 2695600 -7.52904 -34.1506 7.7113 -28.5707 13.1511 -15.4059 10.0719 -15.0567 18.6676 TIMING: 2695600 CPU: 8589.77, 0.00311417/step Wall: 8589.77, 0.00311417/step, 1.99342 hours remaining, 240.667969 MB of memory in use. ENERGY: 2695600 3946.1004 20649.1224 14508.8947 259.3439 -202763.3954 2245.6970 0.0000 0.0000 52216.5872 -108937.6498 300.0894 -161154.2371 -108575.5078 300.4606 -262.0280 -230.3376 763299.7969 8.0199 8.0966 PRESSURE: 2695800 -67.9351 50.8575 140.172 50.8577 -312 -264.688 140.171 -264.689 169.761 GPRESSURE: 2695800 -79.062 -4.21081 85.6709 193.614 -257.426 -332.784 183.857 -389.019 200.88 PRESSAVG: 2695800 -0.317108 -34.9084 4.6567 -34.9084 14.3053 5.79227 4.65664 5.79226 20.0793 GPRESSAVG: 2695800 0.235666 -34.8977 3.34235 -36.0926 13.6985 6.19936 4.41536 4.55173 20.0367 TIMING: 2695800 CPU: 8590.39, 0.00313368/step Wall: 8590.39, 0.00313368/step, 2.00573 hours remaining, 240.667969 MB of memory in use. ENERGY: 2695800 3979.9945 20589.5038 14539.5581 263.4140 -202963.3168 2613.7635 0.0000 0.0000 51967.2395 -109009.8433 298.6564 -160977.0828 -108643.6527 300.0559 -70.0579 -45.2026 762778.4247 11.3558 11.3236 PRESSURE: 2696000 -373.279 -44.5918 -116.067 -44.5917 -548.577 114.928 -116.068 114.927 -401.149 GPRESSURE: 2696000 -328.93 3.36251 -13.0618 7.9988 -457.64 167.285 -168.725 15.9411 -448.883 PRESSAVG: 2696000 -46.4318 -23.2286 32.111 -23.2286 35.6499 -10.5212 32.1111 -10.5212 -1.16936 GPRESSAVG: 2696000 -45.5501 -23.1823 34.6106 -23.5258 34.4806 -9.49391 31.7106 -11.2968 -1.31121 TIMING: 2696000 CPU: 8591.02, 0.00311953/step Wall: 8591.02, 0.00311953/step, 1.9965 hours remaining, 240.667969 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: 2696000 4010.8826 20528.9587 14524.3374 245.5000 -202729.6074 2271.9196 0.0000 0.0000 52217.1767 -108930.8324 300.0928 -161148.0091 -108570.2696 300.0770 -441.0018 -411.8175 763641.7858 -3.9838 -4.1269 PRESSURE: 2696200 481.187 -180.293 -95.4968 -180.292 -121.84 -29.2583 -95.4964 -29.2587 -317.121 GPRESSURE: 2696200 383.655 -164.532 -98.2201 -124.789 -15.5461 -3.1914 -107.495 9.46395 -229.407 PRESSAVG: 2696200 -15.0686 -47.0742 -3.69521 -47.0742 37.4273 -30.7747 -3.69518 -30.7747 -0.00485905 GPRESSAVG: 2696200 -16.4498 -47.8949 -5.37321 -43.9845 38.7882 -32.0934 -4.14529 -30.1118 0.297871 TIMING: 2696200 CPU: 8591.64, 0.00312613/step Wall: 8591.64, 0.00312613/step, 2.00055 hours remaining, 240.667969 MB of memory in use. ENERGY: 2696200 4085.9241 20565.1874 14474.6537 266.5894 -202806.4972 2250.8291 0.0000 0.0000 52330.2672 -108833.0464 300.7428 -161163.3135 -108467.9179 300.2475 14.0756 46.2339 761804.0981 7.4513 7.5454 LDB: ============= START OF LOAD BALANCING ============== 8604.09 LDB: ============== END OF LOAD BALANCING =============== 8604.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8604.09 LDB: ============= START OF LOAD BALANCING ============== 8604.41 LDB: Largest compute 7031 load 0.036879 is 18.9% of average load 0.195362 LDB: Average compute 0.004377 is 2.2% of average load 0.195362 LDB: TIME 8604.41 LOAD: AVG 0.195362 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 8604.41 LOAD: AVG 0.195362 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.926 MB LDB: TIME 8604.41 LOAD: AVG 0.195362 MAX 0.214496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.926 MB LDB: ============== END OF LOAD BALANCING =============== 8604.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8604.42 PRESSURE: 2696400 -91.7528 -20.3221 -25.9203 -20.3217 -37.4914 12.4214 -25.9195 12.4222 153.03 GPRESSURE: 2696400 27.5291 -5.17228 29.684 -25.436 80.5319 18.756 5.54933 -16.1028 19.8644 PRESSAVG: 2696400 -32.638 3.86079 -43.0817 3.86087 8.78285 -5.10733 -43.0818 -5.10739 11.3424 GPRESSAVG: 2696400 -30.37 4.50878 -43.4801 0.613746 8.00605 -4.89365 -42.4202 -4.983 10.1268 TIMING: 2696400 CPU: 8592.28, 0.00320196/step Wall: 8592.28, 0.00320196/step, 2.0489 hours remaining, 242.601562 MB of memory in use. ENERGY: 2696400 4003.4803 20486.9139 14510.2617 250.2840 -203160.2671 2454.6978 0.0000 0.0000 52347.3079 -109107.3213 300.8407 -161454.6292 -108739.9454 299.9989 7.9287 42.6418 761089.4579 -4.1709 -4.0790 PRESSURE: 2696600 110.073 38.7564 185.478 38.7567 198.977 -37.1718 185.478 -37.1713 -0.0291614 GPRESSURE: 2696600 176.228 103.366 136.112 11.6508 210.846 -3.95663 140.91 -88.6211 6.09929 PRESSAVG: 2696600 16.4688 -23.1333 9.02497 -23.1333 13.3493 -18.3939 9.02494 -18.3939 -5.63219 GPRESSAVG: 2696600 14.402 -21.9173 8.69988 -21.6696 14.0116 -18.2801 7.86628 -18.0465 -4.7548 TIMING: 2696600 CPU: 8592.91, 0.00313695/step Wall: 8592.91, 0.00313695/step, 2.00713 hours remaining, 242.804688 MB of memory in use. ENERGY: 2696600 4051.6108 20705.0137 14499.3144 231.1474 -203546.8615 2786.4500 0.0000 0.0000 52058.3823 -109214.9431 299.1802 -161273.3254 -108854.2830 299.7123 103.0071 131.0577 760656.2478 8.0620 7.8863 PRESSURE: 2696800 -385.958 -30.7944 -188.824 -30.7945 -370.966 34.074 -188.824 34.0735 -46.213 GPRESSURE: 2696800 -303.387 -15.8187 -250.648 53.7059 -416.752 -10.526 -164.839 15.3485 22.9411 PRESSAVG: 2696800 -18.7064 -23.7889 34.6563 -23.7889 52.0397 -13.7019 34.6562 -13.7019 7.91741 GPRESSAVG: 2696800 -18.2558 -23.9456 33.4676 -24.2011 51.3935 -12.7594 35.912 -15.0375 7.76525 TIMING: 2696800 CPU: 8593.54, 0.00314321/step Wall: 8593.54, 0.00314321/step, 2.01096 hours remaining, 242.804688 MB of memory in use. ENERGY: 2696800 3985.1523 20659.4259 14533.6987 257.0367 -202859.4661 2321.8726 0.0000 0.0000 52082.4326 -109019.8473 299.3185 -161102.2799 -108654.7742 299.6829 -267.7124 -232.3992 764671.8105 13.7502 13.6343 PRESSURE: 2697000 -181.124 174.69 117.943 174.69 -386.491 -51.4063 117.943 -51.4056 -90.4578 GPRESSURE: 2697000 -215.896 127.036 65.6659 178.033 -304.446 -3.90099 138.334 -23.4833 -74.1371 PRESSAVG: 2697000 6.92305 15.0107 7.19393 15.0107 12.94 -8.16822 7.19397 -8.16824 15.7532 GPRESSAVG: 2697000 6.33256 14.7516 6.79301 15.0479 14.0451 -9.92902 9.60536 -7.6062 15.4083 TIMING: 2697000 CPU: 8594.17, 0.00314614/step Wall: 8594.17, 0.00314614/step, 2.01265 hours remaining, 242.804688 MB of memory in use. ENERGY: 2697000 3995.7793 20778.3805 14463.5571 257.4824 -203063.9273 2379.3453 0.0000 0.0000 52091.1629 -109098.2197 299.3686 -161189.3826 -108727.2372 300.4638 -219.3577 -198.1596 762587.6695 11.8721 11.9287 PRESSURE: 2697200 -45.9482 26.9719 147.076 26.9725 -83.3217 45.3565 147.075 45.3568 -316.395 GPRESSURE: 2697200 -70.764 18.7813 116.813 3.25534 -7.08608 68.3267 36.8261 46.5126 -282.243 PRESSAVG: 2697200 30.717 -2.06081 17.5417 -2.06076 -71.2429 1.58647 17.5417 1.5864 -0.611361 GPRESSAVG: 2697200 30.5481 -3.48135 19.232 -2.65581 -71.0856 2.83565 16.5385 1.59561 -0.816325 TIMING: 2697200 CPU: 8594.8, 0.00313675/step Wall: 8594.8, 0.00313675/step, 2.00647 hours remaining, 242.804688 MB of memory in use. ENERGY: 2697200 3999.4464 20633.8883 14533.0803 235.0144 -203647.5425 2681.2313 0.0000 0.0000 52257.6689 -109307.2130 300.3255 -161564.8818 -108942.7742 300.0494 -148.5551 -120.0309 762374.0626 -13.7124 -13.7846 PRESSURE: 2697400 -328.764 17.2426 -214.12 17.2431 1.35093 -195.523 -214.12 -195.522 94.3522 GPRESSURE: 2697400 -167.992 197.181 -175.091 72.4272 -60.0061 -138.392 -188.933 -137.769 94.0457 PRESSAVG: 2697400 -21.0903 -10.616 -11.9747 -10.616 9.63478 3.03402 -11.9748 3.03406 -13.6321 GPRESSAVG: 2697400 -20.9266 -8.62454 -10.9405 -10.9181 8.84181 2.52213 -14.886 2.40757 -13.2987 TIMING: 2697400 CPU: 8595.42, 0.00313201/step Wall: 8595.42, 0.00313201/step, 2.00327 hours remaining, 242.804688 MB of memory in use. ENERGY: 2697400 4007.9388 20708.6229 14574.2773 256.7850 -203295.3376 2583.2348 0.0000 0.0000 52109.3779 -109055.1009 299.4733 -161164.4788 -108691.4316 299.5528 -77.6868 -44.6508 762403.7250 -8.3625 -8.4611 PRESSURE: 2697600 20.8961 -6.53552 -130.836 -6.53624 -142.219 -66.6228 -130.836 -66.6215 -217.372 GPRESSURE: 2697600 86.4808 -131.89 -41.9472 67.9593 -106.944 -75.432 5.65783 84.797 -227.514 PRESSAVG: 2697600 45.3455 24.3857 25.4018 24.3857 -65.319 7.39035 25.4018 7.39049 20.0364 GPRESSAVG: 2697600 44.501 23.9173 22.8333 25.6266 -63.8947 7.18166 28.2831 10.1864 19.1907 TIMING: 2697600 CPU: 8596.05, 0.00312818/step Wall: 8596.05, 0.00312818/step, 2.00065 hours remaining, 242.804688 MB of memory in use. ENERGY: 2697600 4008.4951 20839.0387 14572.1142 267.6740 -203163.6188 2391.7601 0.0000 0.0000 52030.2977 -109054.2390 299.0188 -161084.5367 -108690.9730 300.1016 -112.8986 -82.6590 763151.1507 0.0209 -0.0677 PRESSURE: 2697800 118.497 -45.7395 368.846 -45.7402 170.163 91.4523 368.846 91.4524 -19.6242 GPRESSURE: 2697800 223.13 0.340747 238.087 -182.022 126.371 67.1901 368.244 118.077 0.833932 PRESSAVG: 2697800 -24.5291 38.1152 56.4926 38.1152 -41.4582 -0.826916 56.4926 -0.826839 -1.63626 GPRESSAVG: 2697800 -23.3626 36.684 56.3468 37.1617 -42.8289 -0.948077 55.5721 -3.21841 -1.061 TIMING: 2697800 CPU: 8596.68, 0.003162/step Wall: 8596.68, 0.003162/step, 2.0221 hours remaining, 242.804688 MB of memory in use. ENERGY: 2697800 3977.6500 20536.8137 14625.6279 252.6280 -203453.5673 2645.0596 0.0000 0.0000 52343.6211 -109072.1672 300.8195 -161415.7882 -108707.3154 300.6794 89.6785 116.7781 761968.3154 -22.5412 -22.4175 PRESSURE: 2698000 15.7883 16.6795 379.947 16.6789 71.3906 50.8533 379.948 50.8538 -306.904 GPRESSURE: 2698000 -25.8266 -6.4677 284.524 30.9631 83.1932 149.465 390.744 70.6996 -184.982 PRESSAVG: 2698000 -68.4174 63.6341 86.1957 63.6341 61.6993 25.9016 86.1957 25.9015 -30.8071 GPRESSAVG: 2698000 -69.3555 65.5167 85.4998 63.8996 62.9037 27.7147 85.839 24.2802 -30.5587 TIMING: 2698000 CPU: 8597.31, 0.00313557/step Wall: 8597.31, 0.00313557/step, 2.00502 hours remaining, 242.804688 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: 2698000 3996.1733 20669.1374 14491.4197 230.2113 -203423.4231 2516.6708 0.0000 0.0000 52286.6867 -109233.1240 300.4923 -161519.8107 -108862.5416 299.6560 -73.2417 -42.5384 762708.4653 -12.5084 -12.3368 PRESSURE: 2698200 -169.152 -90.9381 34.3488 -90.9378 -250.775 23.4044 34.3493 23.4043 -350.987 GPRESSURE: 2698200 -155.804 -156.858 146.424 43.6072 -219.464 82.1718 30.6592 12.6534 -312.066 PRESSAVG: 2698200 -23.3042 13.2026 22.7461 13.2026 47.3816 -20.1561 22.7461 -20.1561 -16.386 GPRESSAVG: 2698200 -23.2221 12.5167 24.541 11.6279 46.8383 -21.4223 24.681 -18.0883 -16.3923 TIMING: 2698200 CPU: 8597.93, 0.00313494/step Wall: 8597.93, 0.00313494/step, 2.00444 hours remaining, 242.804688 MB of memory in use. ENERGY: 2698200 3976.3871 20684.9806 14598.7665 258.7382 -203783.1366 2461.6808 0.0000 0.0000 52420.0664 -109382.5169 301.2588 -161802.5834 -109013.8397 299.7814 -256.9713 -229.1114 761520.0289 2.5638 2.4080 PRESSURE: 2698400 171.88 -156.041 114.523 -156.042 36.4149 31.5556 114.523 31.5558 -424.737 GPRESSURE: 2698400 231.648 -154.791 90.1853 -34.5776 54.6974 -7.63475 163.467 55.5261 -428.066 PRESSAVG: 2698400 -10.8085 41.7602 23.7293 41.7602 -10.5962 12.873 23.7292 12.873 -12.2659 GPRESSAVG: 2698400 -10.1929 40.5949 24.0285 44.5637 -10.1424 12.3433 22.2231 13.544 -12.9212 TIMING: 2698400 CPU: 8598.56, 0.00314416/step Wall: 8598.56, 0.00314416/step, 2.01017 hours remaining, 242.804688 MB of memory in use. ENERGY: 2698400 4063.2785 20601.8655 14486.0209 233.6942 -203351.0497 2448.8003 0.0000 0.0000 52154.2351 -109363.1551 299.7311 -161517.3902 -108994.9966 299.2396 -72.1473 -47.2400 761822.9940 -11.2235 -11.0855 PRESSURE: 2698600 138.749 175.814 254.458 175.813 -112.673 -5.72754 254.458 -5.72687 -42.2617 GPRESSURE: 2698600 140.083 117.76 369.12 236.307 -73.3801 67.7709 199.399 -44.2241 -3.7861 PRESSAVG: 2698600 53.154 -7.48115 32.8838 -7.48114 -26.1388 38.8739 32.8839 38.8739 -12.7656 GPRESSAVG: 2698600 52.2854 -5.63732 32.1137 -9.41306 -25.1654 40.4233 32.3874 36.49 -12.8164 TIMING: 2698600 CPU: 8599.2, 0.0031582/step Wall: 8599.2, 0.0031582/step, 2.01897 hours remaining, 242.804688 MB of memory in use. ENERGY: 2698600 4039.1146 20574.2053 14561.5785 236.9967 -203339.0557 2620.3940 0.0000 0.0000 51980.5810 -109326.1855 298.7331 -161306.7665 -108968.4345 299.4822 -5.3953 20.9723 761664.3848 4.7499 4.7679 PRESSURE: 2698800 -11.5888 243.012 61.7803 243.012 326.239 17.9533 61.7803 17.9519 -55.8492 GPRESSURE: 2698800 95.778 197.885 79.8554 143.161 361.465 -17.3688 -42.6729 -2.24179 -100.182 PRESSAVG: 2698800 -1.39054 41.0817 17.0589 41.0817 -4.55885 -47.3288 17.059 -47.3289 -9.24212 GPRESSAVG: 2698800 -1.04464 39.1082 17.2608 40.9278 -5.14587 -49.2516 16.4247 -46.3843 -8.52523 TIMING: 2698800 CPU: 8599.83, 0.00315046/step Wall: 8599.83, 0.00315046/step, 2.01385 hours remaining, 242.804688 MB of memory in use. ENERGY: 2698800 3977.4302 20421.9538 14563.8064 232.0010 -203513.6371 2748.1766 0.0000 0.0000 52118.5125 -109451.7566 299.5258 -161570.2691 -109086.3030 299.2566 86.2671 119.0202 760781.4405 -5.0638 -4.9052 PRESSURE: 2699000 139.18 -87.3241 -150.297 -87.323 741.077 3.83738 -150.296 3.83621 197.242 GPRESSURE: 2699000 182.014 -62.7386 -102.199 -27.6345 718.159 31.9575 -99.3577 118.034 280.838 PRESSAVG: 2699000 -31.5334 70.0201 39.063 70.0201 28.387 -23.8374 39.0631 -23.8375 -8.45009 GPRESSAVG: 2699000 -29.8199 72.672 38.6294 71.4497 26.6805 -22.5623 40.4905 -23.444 -8.38891 TIMING: 2699000 CPU: 8600.45, 0.00313603/step Wall: 8600.45, 0.00313603/step, 2.00444 hours remaining, 242.804688 MB of memory in use. ENERGY: 2699000 3976.5934 20601.9378 14465.8493 221.8613 -203686.8898 2917.5047 0.0000 0.0000 52076.6968 -109426.4465 299.2855 -161503.1433 -109073.9838 298.9523 359.1664 393.6701 760906.6218 -3.8655 -3.8428 PRESSURE: 2699200 20.5582 -53.6533 47.4043 -53.6538 -54.7222 -8.88605 47.4036 -8.88618 -58.0927 GPRESSURE: 2699200 0.735723 -2.88457 105.727 -128.06 -16.5892 -91.1203 64.7608 35.3873 9.38812 PRESSAVG: 2699200 49.3825 46.1692 -5.22845 46.1692 -17.5222 -76.1545 -5.22849 -76.1546 14.4236 GPRESSAVG: 2699200 47.6824 44.2711 -3.94451 45.2885 -16.364 -76.8388 -6.99996 -77.405 15.1835 TIMING: 2699200 CPU: 8601.08, 0.00315639/step Wall: 8601.08, 0.00315639/step, 2.01729 hours remaining, 242.804688 MB of memory in use. ENERGY: 2699200 4024.0297 20531.1859 14545.3902 245.2390 -203257.0103 2681.3648 0.0000 0.0000 51828.6070 -109401.1938 297.8597 -161229.8007 -109028.1788 299.6443 -30.7522 -2.1551 762294.3039 15.4280 15.5006 PRESSURE: 2699400 322.975 114.595 182.15 114.596 -83.7884 -170.155 182.15 -170.154 151.504 GPRESSURE: 2699400 324.135 209.254 146.529 85.9589 -54.4824 -241.598 238.873 -74.6989 202.595 PRESSAVG: 2699400 -31.3877 17.4992 -34.4451 17.4993 10.4381 -28.8591 -34.4451 -28.8591 -11.1698 GPRESSAVG: 2699400 -30.135 21.1465 -36.053 16.2688 9.73187 -30.2269 -31.8549 -27.6659 -12.2621 TIMING: 2699400 CPU: 8601.71, 0.00314721/step Wall: 8601.71, 0.00314721/step, 2.01124 hours remaining, 242.804688 MB of memory in use. ENERGY: 2699400 3994.1600 20495.1792 14526.9050 247.6086 -203454.8115 2726.9119 0.0000 0.0000 52177.8890 -109286.1578 299.8670 -161464.0469 -108924.4419 299.8490 130.2301 157.4160 760503.5739 -10.7065 -10.8884 PRESSURE: 2699600 -66.0833 -89.0202 207.938 -89.0199 30.333 -91.4341 207.938 -91.4345 -83.03 GPRESSURE: 2699600 -87.6621 37.1631 249.526 -69.2425 82.1696 -89.6069 135.402 -165.588 -10.5861 PRESSAVG: 2699600 18.6542 8.34973 -8.38376 8.34974 -50.3208 -50.201 -8.38377 -50.201 -0.0570666 GPRESSAVG: 2699600 17.6148 4.3013 -7.94554 10.1432 -48.4573 -48.004 -9.0596 -50.5657 -0.665683 TIMING: 2699600 CPU: 8602.34, 0.00313358/step Wall: 8602.34, 0.00313358/step, 2.00236 hours remaining, 242.804688 MB of memory in use. ENERGY: 2699600 3960.1432 20440.0725 14502.6301 247.2468 -203241.4105 2481.5283 0.0000 0.0000 52224.0711 -109385.7185 300.1325 -161609.7896 -109018.6302 299.9526 -39.5934 -5.3596 761197.3831 -10.5746 -10.5027 PRESSURE: 2699800 -234.135 72.9809 142.955 72.9816 -329.931 -80.3814 142.955 -80.3808 -253.357 GPRESSURE: 2699800 -264.008 41.9048 85.304 -46.4765 -217.529 -100.525 -42.5845 -130.36 -252.072 PRESSAVG: 2699800 -19.072 -34.0204 14.9274 -34.0205 11.2911 -1.09439 14.9274 -1.0944 3.08221 GPRESSAVG: 2699800 -18.5517 -31.8761 15.3996 -35.5241 10.2331 -1.94286 14.6948 -1.09839 3.58554 TIMING: 2699800 CPU: 8602.96, 0.00311067/step Wall: 8602.96, 0.00311067/step, 1.98755 hours remaining, 242.804688 MB of memory in use. ENERGY: 2699800 3879.2047 20419.9774 14529.4281 247.0772 -203008.1323 2252.4491 0.0000 0.0000 52296.3828 -109383.6130 300.5480 -161679.9958 -109020.1401 299.0107 -272.4744 -244.5363 762360.5563 -1.5662 -1.5777 PRESSURE: 2700000 108.636 -95.39 32.2545 -95.3891 -134.912 -206.488 32.2532 -206.488 -192.08 GPRESSURE: 2700000 58.2098 -122.147 -35.3276 -56.3161 -104.372 -152.803 173.63 -84.2079 -85.3502 PRESSAVG: 2700000 3.25305 13.7142 3.46713 13.7143 1.59959 -69.1664 3.46708 -69.1664 16.0141 GPRESSAVG: 2700000 4.46435 12.7881 3.96076 13.5787 -0.141456 -69.1556 3.35617 -69.6013 16.749 TIMING: 2700000 CPU: 8603.59, 0.00313015/step Wall: 8603.59, 0.00313015/step, 1.99982 hours remaining, 242.804688 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: 2700000 3957.0281 20437.1706 14513.4388 254.8163 -202907.0929 2298.7479 0.0000 0.0000 51992.7447 -109453.1465 298.8030 -161445.8912 -109088.7180 299.1565 -72.7853 -43.8376 760756.0023 6.9556 7.0240 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700200 272.707 80.147 34.5769 80.1469 -154.59 82.8288 34.5774 82.8289 119.148 GPRESSURE: 2700200 133.732 85.0546 -60.7027 114.755 51.0861 64.1123 113.09 133.901 146.459 PRESSAVG: 2700200 11.7078 11.8198 -18.9807 11.8198 21.217 -7.236 -18.9807 -7.23598 -31.5309 GPRESSAVG: 2700200 10.2668 10.9327 -20.6471 13.7479 23.4974 -6.68561 -17.9038 -4.85716 -32.8059 TIMING: 2700200 CPU: 8604.23, 0.00322239/step Wall: 8604.23, 0.00322239/step, 2.05857 hours remaining, 242.804688 MB of memory in use. ENERGY: 2700200 3995.5468 20567.2788 14514.3363 236.0264 -203558.7176 2655.5937 0.0000 0.0000 52269.5357 -109320.4000 300.3937 -161589.9357 -108960.1444 299.6403 79.0884 110.4258 759450.1558 0.4646 0.3194 LDB: ============= START OF LOAD BALANCING ============== 8616.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8616.68 LDB: =============== DONE WITH MIGRATION ================ 8616.68 LDB: ============= START OF LOAD BALANCING ============== 8616.99 LDB: Largest compute 7038 load 0.037125 is 19.0% of average load 0.195388 LDB: Average compute 0.004398 is 2.3% of average load 0.195388 LDB: TIME 8617 LOAD: AVG 0.195388 MAX 0.215293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 8617 LOAD: AVG 0.195388 MAX 0.215293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 8617 LOAD: AVG 0.195388 MAX 0.215293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 8617 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8617 PRESSURE: 2700400 55.22 20.8504 25.9989 20.8511 -78.7083 136.951 25.9983 136.951 31.1121 GPRESSURE: 2700400 149.196 38.7327 23.1589 25.1758 -37.7446 85.7887 12.6808 50.7235 11.9405 PRESSAVG: 2700400 29.9077 -17.2213 -2.62026 -17.2213 -4.2685 -5.53279 -2.62025 -5.5328 -9.70336 GPRESSAVG: 2700400 29.8672 -15.9024 -2.18663 -20.754 -4.19642 -5.78692 -2.55925 -6.83821 -9.51434 TIMING: 2700400 CPU: 8604.87, 0.00317307/step Wall: 8604.87, 0.00317307/step, 2.02689 hours remaining, 240.550781 MB of memory in use. ENERGY: 2700400 3915.8139 20329.5505 14471.8173 238.7345 -203080.3397 2407.0249 0.0000 0.0000 52246.8386 -109470.5599 300.2633 -161717.3985 -109108.9356 299.4832 2.5412 41.1307 760739.6563 5.3120 5.3855 PRESSURE: 2700600 -230.322 -165.274 238.641 -165.274 -144.473 -27.1314 238.64 -27.1318 -69.2288 GPRESSURE: 2700600 -160.468 -180.377 214.489 -204.344 -107.642 -18.9068 350.665 106.621 -85.2106 PRESSAVG: 2700600 -65.0188 -46.4984 -9.82331 -46.4984 54.5845 4.31839 -9.82337 4.31836 -12.307 GPRESSAVG: 2700600 -63.8691 -45.9392 -8.44213 -44.7858 53.4342 5.45656 -11.604 1.2513 -11.9798 TIMING: 2700600 CPU: 8605.49, 0.00313279/step Wall: 8605.49, 0.00313279/step, 2.00098 hours remaining, 240.550781 MB of memory in use. ENERGY: 2700600 4087.4023 20572.2112 14542.0595 239.3269 -203187.9649 2351.0561 0.0000 0.0000 51996.5636 -109399.3453 298.8250 -161395.9089 -109052.4675 299.3514 -148.0081 -117.7735 760739.6242 -7.5804 -7.4716 PRESSURE: 2700800 96.1466 24.4487 183.779 24.4481 -207.769 222.33 183.779 222.329 -299.9 GPRESSURE: 2700800 107.81 -17.3332 8.82807 -14.6331 -231.451 206.524 263.348 147.454 -225.959 PRESSAVG: 2700800 -4.6456 -24.3617 10.0886 -24.3617 -0.326305 20.5127 10.0886 20.5127 -4.27448 GPRESSAVG: 2700800 -4.71463 -24.3604 9.43773 -25.8883 -0.572027 19.2438 12.0656 22.8321 -4.2957 TIMING: 2700800 CPU: 8606.12, 0.00312533/step Wall: 8606.12, 0.00312533/step, 1.99605 hours remaining, 240.550781 MB of memory in use. ENERGY: 2700800 3964.5179 20517.4921 14520.1390 236.9343 -202731.2433 2088.2250 0.0000 0.0000 52034.5808 -109369.3543 299.0435 -161403.9350 -109000.2818 299.0412 -137.1741 -116.5333 760713.5226 -3.0821 -3.1941 PRESSURE: 2701000 449 -83.579 73.6506 -83.5792 -40.4119 297.987 73.6503 297.988 225.219 GPRESSURE: 2701000 501.99 24.2881 183.747 52.4382 -13.8702 412.558 1.60043 99.5099 222.397 PRESSAVG: 2701000 18.6107 -14.6597 -22.6545 -14.6597 2.21289 -16.0592 -22.6545 -16.0593 -5.43446 GPRESSAVG: 2701000 17.2247 -15.5961 -22.2878 -13.1315 4.94489 -15.7524 -24.2803 -17.694 -6.73579 TIMING: 2701000 CPU: 8606.74, 0.00312433/step Wall: 8606.74, 0.00312433/step, 1.99523 hours remaining, 240.550781 MB of memory in use. ENERGY: 2701000 3932.7226 20279.4998 14550.3875 219.4927 -203581.4929 2619.0797 0.0000 0.0000 52528.0997 -109452.2110 301.8797 -161980.3106 -109076.3229 299.3430 211.2692 236.8387 760389.4024 5.1297 5.1446 PRESSURE: 2701200 10.4728 114.45 -13.7982 114.45 -129.301 -355.256 -13.7978 -355.256 33.4461 GPRESSURE: 2701200 107.979 47.0841 30.8459 238.104 -143.609 -374.998 210.645 -201.222 32.9685 PRESSAVG: 2701200 39.761 33.8086 -16.925 33.8086 -38.7377 24.6345 -16.925 24.6345 -25.3457 GPRESSAVG: 2701200 40.243 35.4416 -17.2509 34.1612 -40.8239 25.7857 -15.4834 26.2546 -23.3188 TIMING: 2701200 CPU: 8607.37, 0.00312332/step Wall: 8607.37, 0.00312332/step, 1.99441 hours remaining, 240.550781 MB of memory in use. ENERGY: 2701200 3957.7867 20556.6354 14489.4413 239.2122 -202834.7592 2207.2956 0.0000 0.0000 51929.1644 -109455.2235 298.4376 -161384.3879 -109087.7569 299.4614 -28.4609 -0.8872 760937.8933 -8.1075 -7.9666 PRESSURE: 2701400 -71.5693 -97.528 300.557 -97.5279 -3.24978 -30.4324 300.556 -30.4335 -176.898 GPRESSURE: 2701400 -15.2649 -161.733 312.769 -147.497 -22.5963 -45.2946 269.636 -40.7896 -141.47 PRESSAVG: 2701400 12.2302 13.1381 41.5686 13.1381 -57.2546 -43.1185 41.5686 -43.1185 1.85639 GPRESSAVG: 2701400 13.1558 13.0507 42.9223 12.9798 -57.1495 -43.5257 41.9556 -44.2093 1.00034 TIMING: 2701400 CPU: 8607.99, 0.00311283/step Wall: 8607.99, 0.00311283/step, 1.98754 hours remaining, 240.550781 MB of memory in use. ENERGY: 2701400 4020.1994 20427.1836 14521.7461 245.4879 -202965.8858 2284.3526 0.0000 0.0000 52063.1710 -109403.7453 299.2078 -161466.9162 -109054.4412 299.0129 -83.9057 -59.7772 761131.9214 -14.3893 -14.3311 PRESSURE: 2701600 -277.969 154.888 -98.1436 154.888 -384.671 27.5686 -98.1433 27.5682 -5.34462 GPRESSURE: 2701600 -302.211 78.4025 -59.8865 220.358 -308.321 -18.9195 -215.12 62.6907 43.6464 PRESSAVG: 2701600 42.5652 -19.2165 28.9114 -19.2165 -36.2086 -32.9901 28.9114 -32.9901 12.7792 GPRESSAVG: 2701600 41.1875 -18.4968 29.1844 -17.8079 -35.7925 -32.8952 29.9287 -33.3322 13.4698 TIMING: 2701600 CPU: 8608.61, 0.00311845/step Wall: 8608.61, 0.00311845/step, 1.99096 hours remaining, 240.550781 MB of memory in use. ENERGY: 2701600 3984.2914 20450.8423 14505.5870 252.4307 -203049.8838 2249.8774 0.0000 0.0000 51967.1293 -109639.7257 298.6558 -161606.8550 -109281.6449 299.3684 -222.6617 -188.9617 760998.7200 6.3786 6.2883 PRESSURE: 2701800 180.712 137.529 89.1635 137.529 -8.33034 9.42819 89.1628 9.42881 -8.82274 GPRESSURE: 2701800 256.129 94.9258 158.232 88.3902 70.8084 22.0199 -38.07 -24.7219 -68.0315 PRESSAVG: 2701800 25.1315 30.4293 48.7282 30.4292 -23.9623 20.132 48.7282 20.1321 6.75848 GPRESSAVG: 2701800 25.4499 28.3009 46.6974 28.7683 -23.5305 19.9142 46.0341 21.2648 6.61061 TIMING: 2701800 CPU: 8609.24, 0.00311688/step Wall: 8609.24, 0.00311688/step, 1.98978 hours remaining, 240.550781 MB of memory in use. ENERGY: 2701800 3954.6127 20360.9028 14544.0232 248.3255 -203201.9959 2416.9394 0.0000 0.0000 52061.4019 -109615.7904 299.1976 -161677.1923 -109264.8876 298.9794 54.5196 86.3021 759014.6155 2.6426 2.8433 PRESSURE: 2702000 -231.14 101.067 48.9337 101.067 -81.0424 168.382 48.934 168.381 -194.62 GPRESSURE: 2702000 -125.625 7.63751 103.329 91.9319 -102.51 209.665 135.413 139.837 -197.735 PRESSAVG: 2702000 82.9027 38.0185 -29.3038 38.0184 -44.4466 -54.681 -29.3038 -54.6809 15.5163 GPRESSAVG: 2702000 83.2363 39.7839 -28.593 36.0196 -45.0398 -53.6815 -28.5973 -55.4022 15.8009 TIMING: 2702000 CPU: 8609.86, 0.0031236/step Wall: 8609.86, 0.0031236/step, 1.9939 hours remaining, 240.550781 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: 2702000 3940.0711 20366.8082 14520.1823 233.9245 -202924.7142 2175.4018 0.0000 0.0000 52018.9095 -109669.4168 298.9534 -161688.3263 -109300.7378 299.3396 -168.9343 -141.9566 759758.9973 17.9908 17.9991 PRESSURE: 2702200 97.714 -75.4369 75.7599 -75.4367 135.349 36.346 75.7586 36.3456 -535.374 GPRESSURE: 2702200 69.0063 -54.0067 50.6485 -159.194 137.578 -14.2279 -73.3426 31.987 -422.4 PRESSAVG: 2702200 21.7613 2.24149 51.9407 2.24152 1.16369 53.691 51.9407 53.691 11.5217 GPRESSAVG: 2702200 22.3304 0.0396872 51.3843 5.25127 1.60001 52.3113 52.2776 53.6345 10.7621 TIMING: 2702200 CPU: 8610.49, 0.00311639/step Wall: 8610.49, 0.00311639/step, 1.98913 hours remaining, 240.550781 MB of memory in use. ENERGY: 2702200 4012.8447 20568.4510 14508.8811 248.7669 -203060.3085 2388.9770 0.0000 0.0000 51883.4710 -109448.9169 298.1750 -161332.3879 -109088.4215 299.2977 -100.7701 -71.9385 760416.8839 11.4822 11.5642 PRESSURE: 2702400 106.153 99.376 -62.2489 99.3766 -57.5557 36.5286 -62.2491 36.5281 140.69 GPRESSURE: 2702400 119.711 128.256 -53.7755 -40.6844 -22.632 -4.15744 2.89174 135.261 157.58 PRESSAVG: 2702400 62.0404 48.613 12.2121 48.613 -17.754 53.9713 12.2121 53.9713 -13.9734 GPRESSAVG: 2702400 61.0554 48.7383 11.8557 48.6254 -18.1731 53.7064 10.7664 54.2702 -12.7812 TIMING: 2702400 CPU: 8611.11, 0.00312274/step Wall: 8611.11, 0.00312274/step, 1.993 hours remaining, 240.550781 MB of memory in use. ENERGY: 2702400 3911.2234 20547.9758 14522.4647 239.8069 -203320.4628 2409.8942 0.0000 0.0000 51976.3203 -109712.7775 298.7086 -161689.0979 -109356.2217 299.0869 63.0958 84.8864 758995.7842 10.1043 10.0337 PRESSURE: 2702600 279.336 -60.1278 131.416 -60.1276 -0.143285 -181.3 131.415 -181.299 116.289 GPRESSURE: 2702600 265.73 -15.1135 152.464 45.7232 37.6095 -180.039 177.805 -108.076 143.378 PRESSAVG: 2702600 11.2178 -2.80026 54.7536 -2.80027 -25.8338 -37.1437 54.7536 -37.1437 -16.4986 GPRESSAVG: 2702600 11.7711 1.44079 55.6749 -5.15557 -25.3364 -36.9559 55.9716 -35.8376 -17.5775 TIMING: 2702600 CPU: 8611.73, 0.00311623/step Wall: 8611.73, 0.00311623/step, 1.98867 hours remaining, 240.550781 MB of memory in use. ENERGY: 2702600 4006.0759 20335.0575 14554.5737 233.8472 -203577.3375 2516.4174 0.0000 0.0000 52027.5366 -109903.8292 299.0030 -161931.3658 -109533.2015 298.5484 131.8272 148.9058 759139.8785 -10.3715 -10.3810 PRESSURE: 2702800 66.9408 79.6298 -152.861 79.6295 80.6159 -63.8556 -152.862 -63.856 -39.2392 GPRESSURE: 2702800 49.328 134.405 -141.281 -19.5046 179.591 -32.9904 -45.2902 -137.809 -40.3043 PRESSAVG: 2702800 -3.50779 -7.97341 30.603 -7.97339 -0.449194 -35.3436 30.6029 -35.3436 20.6524 GPRESSAVG: 2702800 -4.30027 -9.84845 30.1859 -5.16659 0.203625 -33.1158 29.1397 -37.5292 21.1804 TIMING: 2702800 CPU: 8612.36, 0.00313805/step Wall: 8612.36, 0.00313805/step, 2.00242 hours remaining, 240.550781 MB of memory in use. ENERGY: 2702800 3994.4423 20389.4953 14439.3023 229.4403 -203605.9196 2564.5849 0.0000 0.0000 52104.9457 -109883.7088 299.4478 -161988.6546 -109525.7101 298.7598 36.1058 62.8717 759802.3162 5.5651 5.6946 PRESSURE: 2703000 64.3616 -111.173 121.408 -111.172 -150.487 -180.766 121.408 -180.765 224.046 GPRESSURE: 2703000 94.29 -112.941 114.726 -127.966 -41.0484 -153.514 72.6521 -113.527 173.396 PRESSAVG: 2703000 -37.1584 35.7032 -21.7703 35.7033 7.73711 -37.6141 -21.7702 -37.6139 5.99272 GPRESSAVG: 2703000 -37.6096 35.0835 -22.277 35.4572 7.70942 -37.82 -22.6923 -37.2083 6.49224 TIMING: 2703000 CPU: 8612.99, 0.00312529/step Wall: 8612.99, 0.00312529/step, 1.99411 hours remaining, 240.550781 MB of memory in use. ENERGY: 2703000 3977.5188 20398.2204 14590.7483 251.0059 -203771.7610 2623.9332 0.0000 0.0000 52077.9115 -109852.4229 299.2925 -161930.3344 -109485.2770 299.1877 45.9735 75.5459 759979.4447 -7.8095 -7.8026 PRESSURE: 2703200 189.483 440.437 -42.881 440.436 186.369 89.1764 -42.8813 89.1743 227.967 GPRESSURE: 2703200 265.407 342.221 -133.086 373.775 203.366 117.201 30.5281 100.806 228.681 PRESSAVG: 2703200 24.1072 35.2816 13.6376 35.2816 10.3846 -17.0854 13.6376 -17.0855 -9.78432 GPRESSAVG: 2703200 25.4017 35.3069 14.4276 34.2536 9.45369 -17.4803 15.4998 -17.8476 -9.80972 TIMING: 2703200 CPU: 8613.61, 0.00311519/step Wall: 8613.61, 0.00311519/step, 1.98749 hours remaining, 240.550781 MB of memory in use. ENERGY: 2703200 4009.1521 20454.4712 14523.1979 247.7697 -203477.7454 2712.1108 0.0000 0.0000 51811.6910 -109719.3527 297.7625 -161531.0437 -109366.0493 298.8584 201.2729 232.4849 761372.1834 8.2358 8.3485 PRESSURE: 2703400 -165.72 112.16 95.773 112.158 -116.979 16.9103 95.772 16.9108 -3.20733 GPRESSURE: 2703400 -103.96 89.1944 134.748 182.773 -142.248 52.4768 134.672 43.6735 54.8495 PRESSAVG: 2703400 -13.0481 -34.0564 -5.37843 -34.0565 -12.3015 -20.8504 -5.37848 -20.8504 9.01723 GPRESSAVG: 2703400 -14.1445 -34.3256 -5.50052 -33.277 -11.549 -22.5145 -5.57309 -19.0912 9.46562 TIMING: 2703400 CPU: 8614.23, 0.00312371/step Wall: 8614.23, 0.00312371/step, 1.99275 hours remaining, 240.550781 MB of memory in use. ENERGY: 2703400 3942.6248 20375.2379 14556.8063 227.1282 -203224.7093 2392.4015 0.0000 0.0000 51903.7995 -109826.7110 298.2918 -161730.5105 -109465.4358 298.3279 -95.3019 -63.7858 761557.7963 -5.4441 -5.4093 PRESSURE: 2703600 -120.916 -135.101 -69.082 -135.101 -127.219 27.6341 -69.0818 27.6341 33.888 GPRESSURE: 2703600 -159.843 -86.1942 -60.4858 -7.61173 -88.8032 130.828 -16.5173 90.6554 116.332 PRESSAVG: 2703600 -2.45253 34.5629 -19.5676 34.563 -31.5845 -11.672 -19.5677 -11.672 30.1764 GPRESSAVG: 2703600 -1.68167 36.3525 -19.3733 35.1619 -31.7337 -10.5181 -20.6509 -11.8399 29.9723 TIMING: 2703600 CPU: 8614.86, 0.0031306/step Wall: 8614.86, 0.0031306/step, 1.99697 hours remaining, 240.550781 MB of memory in use. ENERGY: 2703600 3979.2097 20619.3236 14440.2788 252.7204 -203158.3678 2231.8971 0.0000 0.0000 52080.9968 -109553.9414 299.3102 -161634.9382 -109191.4946 298.1315 -71.4156 -44.1046 762734.6618 -1.2869 -1.1477 PRESSURE: 2703800 -134.82 -118.288 -125.283 -118.289 159.914 -80.8725 -125.282 -80.8737 85.7707 GPRESSURE: 2703800 -217.599 -59.8492 -104.186 -49.6078 325.871 -147.994 -127.746 -20.4724 77.9823 PRESSAVG: 2703800 -23.5502 -16.2368 41.9321 -16.2368 41.166 -29.909 41.9321 -29.909 -0.851505 GPRESSAVG: 2703800 -23.8232 -20.346 42.3518 -15.2325 40.9367 -30.8629 44.1659 -29.0064 -0.84782 TIMING: 2703800 CPU: 8615.49, 0.00313032/step Wall: 8615.49, 0.00313032/step, 1.99662 hours remaining, 240.550781 MB of memory in use. ENERGY: 2703800 4018.8473 20552.0311 14509.1884 241.6892 -203318.5286 2641.7142 0.0000 0.0000 51970.9709 -109384.0876 298.6779 -161355.0585 -109019.6294 298.7349 36.9550 62.0848 761741.7055 5.5881 5.4219 PRESSURE: 2704000 -343.96 -100.409 181.528 -100.407 34.6395 182.23 181.528 182.228 -91.4517 GPRESSURE: 2704000 -373.936 -69.2961 260.098 -72.6514 127.043 143.364 222.491 76.7297 -67.7428 PRESSAVG: 2704000 -90.6629 -12.1547 -2.54845 -12.1547 64.6029 -29.7359 -2.54849 -29.7359 -4.58604 GPRESSAVG: 2704000 -90.7183 -7.67873 -1.40823 -13.3776 64.1359 -28.4124 -4.88369 -30.8287 -3.96165 TIMING: 2704000 CPU: 8616.11, 0.00312449/step Wall: 8616.11, 0.00312449/step, 1.99273 hours remaining, 240.550781 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: 2704000 4049.5353 20484.9668 14550.1670 222.4519 -203561.4629 2808.1182 0.0000 0.0000 51897.4665 -109548.7572 298.2555 -161446.2237 -109199.3765 298.9287 -133.5908 -104.8786 761517.1388 -10.2154 -10.1813 PRESSURE: 2704200 114.806 -57.3072 89.0326 -57.3077 109.299 -198.294 89.0329 -198.295 258.743 GPRESSURE: 2704200 298.55 -248.037 41.7683 -83.4365 105.754 -145.78 145.639 -224.932 166.302 PRESSAVG: 2704200 -6.27446 39.0171 9.38112 39.0171 -0.935301 -22.3619 9.38114 -22.3619 4.67171 GPRESSAVG: 2704200 -5.8041 38.5968 7.77952 38.9081 -0.566863 -22.9512 11.4802 -25.0243 3.52642 TIMING: 2704200 CPU: 8616.74, 0.00314311/step Wall: 8616.74, 0.00314311/step, 2.00443 hours remaining, 240.550781 MB of memory in use. ENERGY: 2704200 3957.7916 20348.9831 14536.7699 241.0397 -203698.0802 2783.9785 0.0000 0.0000 52194.7372 -109634.7804 299.9639 -161829.5175 -109268.3012 299.1180 160.9495 190.2019 759950.4027 -0.8460 -0.9482 LDB: ============= START OF LOAD BALANCING ============== 8629.19 LDB: ============== END OF LOAD BALANCING =============== 8629.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.19 LDB: ============= START OF LOAD BALANCING ============== 8629.51 LDB: Largest compute 7038 load 0.034031 is 17.4% of average load 0.195332 LDB: Average compute 0.004381 is 2.2% of average load 0.195332 LDB: TIME 8629.51 LOAD: AVG 0.195332 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 8629.51 LOAD: AVG 0.195332 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.16 MB LDB: TIME 8629.51 LOAD: AVG 0.195332 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.16 MB LDB: ============== END OF LOAD BALANCING =============== 8629.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.52 PRESSURE: 2704400 -46.3352 12.2238 19.0964 12.2233 7.35384 -3.36252 19.0961 -3.36362 -219.918 GPRESSURE: 2704400 -11.4866 -63.9844 156.856 122.861 -15.7208 -124.621 -13.5512 36.6425 -151.463 PRESSAVG: 2704400 40.8156 -13.5361 -15.8191 -13.5361 -20.9359 -5.97977 -15.8191 -5.97978 4.02806 GPRESSAVG: 2704400 40.2345 -16.0113 -13.497 -11.7801 -20.8233 -6.99761 -18.2381 -3.68222 4.59192 TIMING: 2704400 CPU: 8617.38, 0.00321876/step Wall: 8617.38, 0.00321876/step, 2.0525 hours remaining, 242.207031 MB of memory in use. ENERGY: 2704400 3958.8880 20436.2241 14479.6510 249.1933 -203292.3941 2397.7038 0.0000 0.0000 52016.6937 -109754.0401 298.9407 -161770.7338 -109398.7805 298.6951 -86.2999 -59.5568 760376.6083 7.9692 8.0010 PRESSURE: 2704600 -114.996 -117.217 74.1406 -117.217 147.144 -43.6717 74.1406 -43.6726 318.421 GPRESSURE: 2704600 -42.2367 -54.0188 35.7797 -38.0861 234.797 -38.9106 -32.7388 -48.2153 239.414 PRESSAVG: 2704600 -1.9155 18.0432 21.875 18.0431 38.3696 28.1123 21.875 28.1123 10.2453 GPRESSAVG: 2704600 -0.924369 20.5657 21.224 17.443 39.0159 29.6225 21.7206 27.7174 9.45882 TIMING: 2704600 CPU: 8618.01, 0.00311662/step Wall: 8618.01, 0.00311662/step, 1.98719 hours remaining, 242.207031 MB of memory in use. ENERGY: 2704600 3979.3102 20304.0485 14468.1637 239.1515 -203676.7630 2758.5945 0.0000 0.0000 52174.7777 -109752.7170 299.8492 -161927.4947 -109384.4824 298.6496 116.8566 143.9914 761203.9979 15.5665 15.8501 PRESSURE: 2704800 -36.3749 42.3879 -173.685 42.3878 193.613 31.9919 -173.686 31.9931 111.818 GPRESSURE: 2704800 40.245 90.1289 -204.383 -39.7692 162.281 -55.3129 -101.491 3.05891 133.908 PRESSAVG: 2704800 -81.7356 9.9233 -13.1962 9.92336 91.2773 -38.6396 -13.1963 -38.6396 20.4821 GPRESSAVG: 2704800 -81.8534 8.19404 -12.2779 8.65807 90.7923 -37.8816 -12.6497 -41.5306 20.7655 TIMING: 2704800 CPU: 8618.64, 0.00316394/step Wall: 8618.64, 0.00316394/step, 2.01719 hours remaining, 242.207031 MB of memory in use. ENERGY: 2704800 3966.9709 20412.4338 14445.5965 249.3076 -203332.9509 2692.7932 0.0000 0.0000 51865.7026 -109700.1463 298.0729 -161565.8489 -109339.0167 297.8390 89.6855 112.1448 761029.6383 10.0079 9.9014 PRESSURE: 2705000 -225.791 121.371 60.1797 121.371 -372.196 -16.3356 60.1795 -16.3357 -285.885 GPRESSURE: 2705000 -157.716 178.963 15.9391 179.71 -298.873 45.557 100.543 4.70128 -319.752 PRESSAVG: 2705000 -27.8011 21.2271 -15.1322 21.2272 8.60449 23.3039 -15.1323 23.304 -10.5154 GPRESSAVG: 2705000 -26.8829 21.67 -17.636 22.1101 8.085 22.039 -14.4907 26.5004 -10.206 TIMING: 2705000 CPU: 8619.27, 0.00315067/step Wall: 8619.27, 0.00315067/step, 2.00855 hours remaining, 242.207031 MB of memory in use. ENERGY: 2705000 4151.8111 20199.5103 14435.3895 255.5762 -203108.8816 2339.3524 0.0000 0.0000 52042.2298 -109685.0122 299.0874 -161727.2420 -109327.8508 298.3763 -294.6240 -258.7804 762305.5391 -9.9040 -9.6680 PRESSURE: 2705200 85.7923 -109.463 -36.2498 -109.462 79.1006 -38.2305 -36.2494 -38.23 -212.581 GPRESSURE: 2705200 94.628 -176.796 -0.307167 -65.1927 145.65 -32.3928 -77.6808 -18.6269 -209.102 PRESSAVG: 2705200 12.4531 46.2697 12.9258 46.2697 -25.6029 -29.8126 12.9259 -29.8126 -4.2856 GPRESSAVG: 2705200 11.4329 46.7062 14.0679 46.3243 -25.0232 -28.8284 12.8991 -32.2178 -4.0441 TIMING: 2705200 CPU: 8619.9, 0.00313888/step Wall: 8619.9, 0.00313888/step, 2.00086 hours remaining, 242.207031 MB of memory in use. ENERGY: 2705200 3900.2997 20589.8317 14532.9053 238.9720 -203426.2602 2475.8430 0.0000 0.0000 51904.8687 -109783.5397 298.2980 -161688.4085 -109416.8394 298.6071 -15.8961 10.3919 763115.8533 -5.8118 -5.8781 PRESSURE: 2705400 -135.302 0.708334 -142.724 0.708187 -71.8627 27.8 -142.723 27.8002 -374.429 GPRESSURE: 2705400 -64.1368 85.5456 -107.809 -48.2559 47.7429 0.665484 -32.403 109.218 -475.707 PRESSAVG: 2705400 47.3029 -45.6029 11.0298 -45.6028 -11.1202 4.51201 11.0297 4.51201 -4.77653 GPRESSAVG: 2705400 47.0985 -46.022 11.4275 -46.2456 -10.2414 4.99616 9.84887 4.65446 -5.88129 TIMING: 2705400 CPU: 8620.53, 0.00316369/step Wall: 8620.53, 0.00316369/step, 2.0165 hours remaining, 242.207031 MB of memory in use. ENERGY: 2705400 3932.4475 20447.0259 14492.7891 263.7707 -203319.6214 2373.2195 0.0000 0.0000 52084.2208 -109726.1478 299.3287 -161810.3686 -109364.1589 298.8402 -193.8645 -164.0337 760562.6053 10.4687 10.3253 PRESSURE: 2705600 -102.911 -149.418 331.464 -149.418 67.5025 182.861 331.464 182.861 -67.8849 GPRESSURE: 2705600 -79.8609 -140.964 259.945 -111.711 -37.3589 215.24 265.39 181.193 106.386 PRESSAVG: 2705600 2.23406 -30.7764 14.2737 -30.7764 39.9327 -22.814 14.2738 -22.814 -32.4708 GPRESSAVG: 2705600 1.6577 -29.2401 13.0446 -30.4714 37.2506 -24.0836 14.5815 -21.0959 -29.5593 TIMING: 2705600 CPU: 8621.16, 0.00313711/step Wall: 8621.16, 0.00313711/step, 1.99938 hours remaining, 242.207031 MB of memory in use. ENERGY: 2705600 4014.7752 20560.9625 14550.0544 246.3713 -203362.9035 2327.0528 0.0000 0.0000 51975.3299 -109688.3574 298.7029 -161663.6873 -109326.8658 299.4500 -34.4312 -3.6114 760064.5415 3.2320 3.1163 PRESSURE: 2705800 346.064 -59.7631 -19.1176 -59.763 73.0445 -154.723 -19.1179 -154.723 189.974 GPRESSURE: 2705800 243.9 -108.931 4.634 -190.497 214.252 -184.476 -34.3804 -255.436 243.049 PRESSAVG: 2705800 -21.1469 -42.9058 4.85384 -42.9058 -6.61638 8.8459 4.85389 8.84598 -0.847954 GPRESSAVG: 2705800 -21.4056 -44.1433 3.52141 -42.1384 -5.53746 9.44104 5.27395 7.07313 -1.80587 TIMING: 2705800 CPU: 8621.79, 0.00313896/step Wall: 8621.79, 0.00313896/step, 2.00039 hours remaining, 242.207031 MB of memory in use. ENERGY: 2705800 3928.1525 20402.0492 14567.0694 236.7244 -203787.3188 2880.5275 0.0000 0.0000 52151.2067 -109621.5890 299.7137 -161772.7957 -109254.4801 298.9109 203.0273 233.7337 761054.0140 -9.5371 -9.5830 PRESSURE: 2706000 -84.5672 385.492 79.7506 385.491 -142.734 79.3371 79.7513 79.3381 -64.7546 GPRESSURE: 2706000 -91.2916 286.413 88.4464 425.049 -68.3354 95.2397 139.363 103.791 -58.9932 PRESSAVG: 2706000 -27.5603 20.4733 19.3556 20.4734 21.0401 15.2655 19.3556 15.2655 -3.6425 GPRESSAVG: 2706000 -27.1244 20.6141 21.5083 21.5961 20.4994 16.2884 18.1244 17.0491 -3.07773 TIMING: 2706000 CPU: 8622.42, 0.00315677/step Wall: 8622.42, 0.00315677/step, 2.01156 hours remaining, 242.207031 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: 2706000 3906.1671 20591.2011 14564.7418 257.4484 -203275.5003 2438.4417 0.0000 0.0000 51901.0534 -109616.4468 298.2761 -161517.5002 -109261.3797 298.7441 -97.3519 -72.8734 760164.1369 -3.3876 -3.2342 PRESSURE: 2706200 -16.4212 52.2642 -317.782 52.2639 -295.978 -178.295 -317.783 -178.294 90.9267 GPRESSURE: 2706200 -51.6501 -5.08698 -288.757 101.266 -301.327 -232.274 -232.171 -151.189 217.353 PRESSAVG: 2706200 10.2868 -2.03842 51.275 -2.03842 -37.8875 -28.5995 51.275 -28.5996 -15.4867 GPRESSAVG: 2706200 10.4581 0.26379 50.1076 -5.76281 -38.6113 -27.744 53.6871 -29.1447 -15.3209 TIMING: 2706200 CPU: 8623.05, 0.00315403/step Wall: 8623.05, 0.00315403/step, 2.00964 hours remaining, 242.207031 MB of memory in use. ENERGY: 2706200 3900.3123 20340.1638 14485.1021 253.3526 -203396.1361 2508.7349 0.0000 0.0000 52306.3547 -109602.1156 300.6053 -161908.4703 -109218.8726 299.3432 -73.8243 -45.2080 760614.7317 -14.3625 -14.4914 PRESSURE: 2706400 -265.937 -100.789 252.268 -100.789 -133.437 62.2928 252.268 62.292 -511.92 GPRESSURE: 2706400 -252.631 -192.263 319.892 -169.813 -87.8422 71.7347 258.386 -39.1401 -491.754 PRESSAVG: 2706400 -18.3371 -3.70581 21.7644 -3.70589 -48.1052 -60.117 21.7645 -60.117 10.4938 GPRESSAVG: 2706400 -17.5794 -5.83206 22.9221 -0.0939863 -47.4856 -61.9605 20.4348 -61.384 9.57901 TIMING: 2706400 CPU: 8623.68, 0.00314867/step Wall: 8623.68, 0.00314867/step, 2.00605 hours remaining, 242.207031 MB of memory in use. ENERGY: 2706400 3971.7236 20670.7938 14487.8092 235.8290 -203304.5570 2414.1101 0.0000 0.0000 51719.7369 -109804.5543 297.2340 -161524.2912 -109450.5499 298.3179 -303.7647 -277.4090 762826.0240 -18.6495 -18.4953 PRESSURE: 2706600 160.088 -86.0277 55.384 -86.0272 106.811 123.42 55.3843 123.42 127.861 GPRESSURE: 2706600 204.226 -164.122 39.2541 -8.69129 188.496 120.554 -96.9943 106.693 111.776 PRESSAVG: 2706600 7.66935 -43.8935 10.2158 -43.8935 78.9414 -4.71457 10.2158 -4.71464 15.6377 GPRESSAVG: 2706600 6.65042 -45.1665 10.6376 -45.4643 79.3302 -4.1507 10.6491 -3.23148 16.6069 TIMING: 2706600 CPU: 8624.3, 0.00313611/step Wall: 8624.3, 0.00313611/step, 1.99787 hours remaining, 242.207031 MB of memory in use. ENERGY: 2706600 4063.2881 20466.1262 14476.5949 247.3647 -204178.3742 2895.8925 0.0000 0.0000 52145.5932 -109883.5146 299.6814 -162029.1078 -109530.4186 298.3915 131.5866 168.1656 759543.4871 34.0828 34.1958 PRESSURE: 2706800 -201.91 251.88 -132.068 251.879 145.803 -356.859 -132.068 -356.858 -99.0804 GPRESSURE: 2706800 -107.18 246.884 -184.076 193.015 81.1613 -407.714 -56.0681 -365.582 -47.6711 PRESSAVG: 2706800 -6.74525 -21.882 50.4218 -21.882 30.853 -64.5459 50.4218 -64.546 -7.51882 GPRESSAVG: 2706800 -7.02767 -18.9767 49.7889 -23.5103 30.5853 -63.7716 48.5723 -65.8015 -6.84679 TIMING: 2706800 CPU: 8624.93, 0.00314023/step Wall: 8624.93, 0.00314023/step, 2.00033 hours remaining, 242.207031 MB of memory in use. ENERGY: 2706800 3856.6693 20335.3377 14502.5406 228.4294 -203519.0409 2602.9253 0.0000 0.0000 51946.0995 -110047.0392 298.5349 -161993.1387 -109684.5333 298.1733 -51.7292 -24.5631 761666.0080 5.5297 5.5703 PRESSURE: 2707000 229.028 -108.118 280.78 -108.118 -6.61789 -334.812 280.781 -334.812 98.6735 GPRESSURE: 2707000 233.213 -168.674 283.172 -224.036 69.7475 -305.688 217.088 -354.852 83.4731 PRESSAVG: 2707000 33.9871 -50.1746 56.206 -50.1746 -25.664 -3.91558 56.206 -3.91556 7.19724 GPRESSAVG: 2707000 33.4207 -50.2932 54.886 -51.0882 -24.6782 -4.72432 58.0316 -3.15234 6.26209 TIMING: 2707000 CPU: 8625.56, 0.0031601/step Wall: 8625.56, 0.0031601/step, 2.01281 hours remaining, 242.207031 MB of memory in use. ENERGY: 2707000 3954.5869 20298.1702 14554.1848 245.7140 -203802.6269 2676.0421 0.0000 0.0000 52001.3589 -110072.5701 298.8525 -162073.9291 -109709.0862 297.7420 107.0280 128.8111 758860.7906 5.1735 5.0015 PRESSURE: 2707200 259.848 -153.412 70.0569 -153.412 157.117 412.251 70.0567 412.251 236.761 GPRESSURE: 2707200 373.171 -149.89 116.692 -138.975 100.602 347.056 -88.6185 460.802 241.005 PRESSAVG: 2707200 8.66301 -71.2416 28.9823 -71.2416 3.32844 24.3432 28.9823 24.3431 32.0761 GPRESSAVG: 2707200 8.94198 -73.603 29.1147 -68.3232 2.74159 23.0542 29.222 24.7314 31.7823 TIMING: 2707200 CPU: 8626.2, 0.00315999/step Wall: 8626.2, 0.00315999/step, 2.01256 hours remaining, 242.207031 MB of memory in use. ENERGY: 2707200 3927.8767 20402.2751 14535.4995 262.1619 -203483.9775 2508.8776 0.0000 0.0000 51680.6856 -110166.6012 297.0096 -161847.2868 -109817.8554 297.5853 217.9089 238.2596 759522.7461 14.6892 14.4886 PRESSURE: 2707400 -105.15 -77.5658 40.5674 -77.5658 -32.888 -151.355 40.5685 -151.355 -76.6262 GPRESSURE: 2707400 -172.886 -82.9403 51.5876 -100.836 -8.059 -160.001 2.86447 -193.082 52.1321 PRESSAVG: 2707400 -14.3254 -27.8595 -31.1997 -27.8595 24.6753 42.5434 -31.1998 42.5433 15.6129 GPRESSAVG: 2707400 -14.5893 -25.5329 -31.9659 -28.6593 23.2335 44.2275 -31.8154 43.0513 17.4221 TIMING: 2707400 CPU: 8626.82, 0.00313789/step Wall: 8626.82, 0.00313789/step, 1.99831 hours remaining, 242.207031 MB of memory in use. ENERGY: 2707400 3994.0064 20483.3684 14555.7976 236.9252 -203685.4240 2396.2742 0.0000 0.0000 51724.9220 -110294.1302 297.2638 -162019.0522 -109939.0511 297.7512 -71.5548 -42.9377 761202.7332 8.6543 8.6888 PRESSURE: 2707600 11.1117 -80.6031 -42.3646 -80.603 -154.41 -154.131 -42.3651 -154.13 276.289 GPRESSURE: 2707600 91.3534 -113.712 -115.846 -94.6056 -76.9259 -116.763 59.896 -312.622 212.509 PRESSAVG: 2707600 47.1021 -37.3686 -17.8241 -37.3686 -40.1521 11.4746 -17.8241 11.4746 4.19854 GPRESSAVG: 2707600 47.4597 -36.8215 -15.9832 -38.6924 -39.0538 12.0339 -18.1731 11.7389 2.59976 TIMING: 2707600 CPU: 8627.45, 0.00311996/step Wall: 8627.45, 0.00311996/step, 1.98672 hours remaining, 242.207031 MB of memory in use. ENERGY: 2707600 3958.9775 20302.6425 14472.6286 241.8802 -204062.1665 2861.6166 0.0000 0.0000 51855.0519 -110369.3691 298.0117 -162224.4210 -110005.0437 297.4434 44.3301 75.6455 759985.2134 3.7162 3.6686 PRESSURE: 2707800 -87.5762 -13.2026 -57.8931 -13.2035 272.107 49.6942 -57.8932 49.6942 -90.8049 GPRESSURE: 2707800 31.7655 -120.679 -34.3192 46.5919 271.794 103.321 -49.0471 106.504 -118.301 PRESSAVG: 2707800 53.5836 -27.5032 -58.7216 -27.5032 -63.8889 -51.5364 -58.7217 -51.5364 6.46624 GPRESSAVG: 2707800 54.3325 -28.7321 -57.1782 -26.0239 -64.1798 -52.7092 -57.903 -53.0812 6.16399 TIMING: 2707800 CPU: 8628.07, 0.00311542/step Wall: 8628.07, 0.00311542/step, 1.98365 hours remaining, 242.207031 MB of memory in use. ENERGY: 2707800 3983.8900 20390.3286 14498.7352 239.6556 -203889.0388 2661.6885 0.0000 0.0000 52005.4150 -110109.3258 298.8758 -162114.7409 -109743.4900 297.8280 31.2420 61.7530 760458.9288 -1.2797 -1.2278 PRESSURE: 2708000 297.759 60.3998 -90.1668 60.3994 93.4317 -144.608 -90.166 -144.608 61.707 GPRESSURE: 2708000 368.024 15.6512 -141.525 100.248 100.289 -21.4524 7.41244 -134.485 60.0325 PRESSAVG: 2708000 51.7158 -33.6728 15.8804 -33.6728 24.2616 41.0538 15.8803 41.0538 20.5327 GPRESSAVG: 2708000 52.533 -33.3966 13.4759 -34.2559 24.1336 39.7313 16.9166 42.8845 20.1738 TIMING: 2708000 CPU: 8628.7, 0.00312128/step Wall: 8628.7, 0.00312128/step, 1.98721 hours remaining, 242.207031 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: 2708000 4047.9109 20512.5032 14583.0323 248.4545 -204164.2676 2949.8329 0.0000 0.0000 51822.1975 -110000.3363 297.8229 -161822.5338 -109636.1729 298.1536 150.9658 176.1153 760656.3160 32.1700 32.2801 PRESSURE: 2708200 -152.815 126.701 43.9403 126.702 -92.9862 87.9495 43.9416 87.9497 -243.004 GPRESSURE: 2708200 -50.5861 95.8022 56.0632 42.2512 -60.5858 8.84906 -12.3799 4.76171 -287.787 PRESSAVG: 2708200 13.3845 -74.697 -13.8153 -74.697 -73.5282 21.0563 -13.8153 21.0562 15.6913 GPRESSAVG: 2708200 13.4822 -74.356 -13.5499 -75.8798 -74.2563 23.5847 -15.9812 18.3874 16.5844 TIMING: 2708200 CPU: 8629.32, 0.00312085/step Wall: 8629.32, 0.00312085/step, 1.98677 hours remaining, 242.207031 MB of memory in use. ENERGY: 2708200 3982.1676 20498.7152 14540.1748 223.5094 -203359.6701 2554.1297 0.0000 0.0000 51708.0149 -109852.9585 297.1667 -161560.9734 -109501.1146 298.0502 -162.9353 -132.9862 764010.0695 -14.8174 -14.7299 LDB: ============= START OF LOAD BALANCING ============== 8641.77 LDB: ============== END OF LOAD BALANCING =============== 8641.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8641.77 LDB: ============= START OF LOAD BALANCING ============== 8642.09 LDB: Largest compute 7038 load 0.034391 is 17.6% of average load 0.195411 LDB: Average compute 0.004382 is 2.2% of average load 0.195411 LDB: TIME 8642.09 LOAD: AVG 0.195411 MAX 0.212407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 8642.09 LOAD: AVG 0.195411 MAX 0.212407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 8642.09 LOAD: AVG 0.195411 MAX 0.212407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 8642.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8642.1 PRESSURE: 2708400 239.864 15.8321 69.7466 15.8316 320.99 -14.7755 69.7463 -14.7757 385.881 GPRESSURE: 2708400 276.91 -33.0156 35.4786 -22.4589 374.58 -120.466 99.0938 46.5491 372.144 PRESSAVG: 2708400 51.8021 -93.6816 19.7847 -93.6816 -50.2089 23.9728 19.7847 23.9727 -5.47273 GPRESSAVG: 2708400 49.029 -94.384 19.9035 -93.1885 -48.652 22.2625 19.9222 25.7284 -4.71153 TIMING: 2708400 CPU: 8629.96, 0.00320414/step Wall: 8629.96, 0.00320414/step, 2.03961 hours remaining, 240.667969 MB of memory in use. ENERGY: 2708400 3922.9563 20446.4436 14579.5082 247.4797 -203873.2986 2880.4114 0.0000 0.0000 51998.8024 -109797.6970 298.8378 -161796.4995 -109434.0637 298.7348 315.5785 341.2113 759777.5696 -1.2932 -1.4448 PRESSURE: 2708600 109.707 -184.736 -192.237 -184.735 -145.054 3.05921 -192.238 3.05852 222.468 GPRESSURE: 2708600 208.66 -186.709 -146.249 -129.398 -137.584 -84.1199 -271.975 2.33242 199 PRESSAVG: 2708600 68.7099 -91.952 9.16089 -91.9521 -25.2001 69.9809 9.16087 69.9809 0.133134 GPRESSAVG: 2708600 70.8239 -91.5698 7.87499 -91.5811 -25.918 70.6124 11.5836 69.3146 -1.68563 TIMING: 2708600 CPU: 8630.59, 0.00314763/step Wall: 8630.59, 0.00314763/step, 2.00347 hours remaining, 240.871094 MB of memory in use. ENERGY: 2708600 4008.8677 20512.2549 14592.2714 235.7968 -203630.4234 2581.5479 0.0000 0.0000 51917.3872 -109782.2975 298.3699 -161699.6847 -109421.3415 298.4621 62.3737 90.0253 760406.5087 14.5476 14.4067 PRESSURE: 2708800 154.133 -113.714 -69.2286 -113.714 -22.6274 156.985 -69.2287 156.985 -318.519 GPRESSURE: 2708800 144.23 -153.26 -68.2678 -192.576 -86.8353 176.867 -16.4177 65.5089 -146.464 PRESSAVG: 2708800 -17.9656 -42.6125 14.8062 -42.6126 -48.3324 -16.8277 14.8063 -16.8277 -27.0982 GPRESSAVG: 2708800 -19.6876 -42.5628 17.0995 -43.9734 -49.246 -17.1333 12.8004 -15.876 -24.7673 TIMING: 2708800 CPU: 8631.21, 0.00311798/step Wall: 8631.21, 0.00311798/step, 1.98442 hours remaining, 240.871094 MB of memory in use. ENERGY: 2708800 3948.6791 20436.9109 14575.4945 245.2781 -203988.5348 2893.7840 0.0000 0.0000 52072.1632 -109816.2250 299.2594 -161888.3883 -109461.8954 298.3839 -62.3379 -29.6900 761875.9610 -31.1321 -31.2336 PRESSURE: 2709000 9.06718 17.0899 191.789 17.0905 -66.6485 -163.068 191.79 -163.068 -59.1215 GPRESSURE: 2709000 -38.8048 -71.8786 134.049 60.9586 12.1914 -218.448 203.535 -182.702 2.57972 PRESSAVG: 2709000 25.661 -10.2265 56.1289 -10.2265 -65.6783 15.4304 56.129 15.4303 20.7455 GPRESSAVG: 2709000 25.5579 -10.086 55.2139 -8.82463 -65.352 15.0426 57.2449 15.6933 20.8045 TIMING: 2709000 CPU: 8631.84, 0.00312477/step Wall: 8631.84, 0.00312477/step, 1.98857 hours remaining, 240.871094 MB of memory in use. ENERGY: 2709000 4007.5112 20325.5502 14573.9988 237.2437 -203889.2018 2757.1590 0.0000 0.0000 52161.3807 -109826.3581 299.7722 -161987.7388 -109451.8727 298.3482 -38.9009 -8.0112 761111.9386 -6.4239 -6.3299 PRESSURE: 2709200 -27.5057 -65.1688 107.796 -65.168 -449.149 287.232 107.796 287.232 2.44669 GPRESSURE: 2709200 -58.1445 -50.5316 114.057 -36.4914 -398.238 342.181 156.968 222.963 75.4134 PRESSAVG: 2709200 6.19852 10.4682 35.018 10.4681 -47.3897 10.9174 35.018 10.9174 20.3155 GPRESSAVG: 2709200 6.47006 11.4928 35.8553 8.32784 -46.4169 10.5921 34.6823 11.9626 19.0583 TIMING: 2709200 CPU: 8632.46, 0.00312401/step Wall: 8632.46, 0.00312401/step, 1.98791 hours remaining, 240.871094 MB of memory in use. ENERGY: 2709200 3969.0244 20607.8166 14527.4121 249.4616 -203352.0292 2313.2708 0.0000 0.0000 51940.9253 -109744.1184 298.5052 -161685.0437 -109376.0868 298.0023 -158.0693 -126.9898 761837.5985 -6.9586 -6.9629 PRESSURE: 2709400 256.863 -31.537 68.8552 -31.5373 -169.696 -15.514 68.8545 -15.5147 221.83 GPRESSURE: 2709400 312.261 -47.6291 56.8222 -43.6842 -85.5334 24.4754 63.1801 -34.1893 151.003 PRESSAVG: 2709400 17.3597 -10.2208 40.3441 -10.2208 -3.26334 -39.1069 40.3441 -39.1069 10.7082 GPRESSAVG: 2709400 17.3669 -10.2539 38.2172 -9.86824 -3.1681 -37.7083 41.3851 -39.5799 11.013 TIMING: 2709400 CPU: 8633.09, 0.00313309/step Wall: 8633.09, 0.00313309/step, 1.99352 hours remaining, 240.871094 MB of memory in use. ENERGY: 2709400 3964.1778 20616.6992 14466.8687 246.2035 -203713.0778 2683.2491 0.0000 0.0000 52243.4244 -109492.4551 300.2437 -161735.8796 -109134.0194 299.3563 102.9990 125.9102 759543.4571 8.2682 8.4039 PRESSURE: 2709600 -131.555 -91.284 -29.4891 -91.2842 -20.8144 -102.667 -29.4888 -102.668 163.955 GPRESSURE: 2709600 -13.0538 -95.1103 -2.14998 -38.3014 13.55 -77.0535 -2.65273 -136.856 109.816 PRESSAVG: 2709600 8.71505 -50.9342 -14.6251 -50.9343 -16.5961 28.3337 -14.6251 28.3337 8.79127 GPRESSAVG: 2709600 8.65471 -51.7478 -14.8842 -51.5464 -16.5799 27.4785 -15.0722 27.4659 8.96052 TIMING: 2709600 CPU: 8633.72, 0.00313364/step Wall: 8633.72, 0.00313364/step, 1.99369 hours remaining, 240.871094 MB of memory in use. ENERGY: 2709600 3940.2869 20470.3751 14515.9477 247.5281 -203543.2056 2651.5165 0.0000 0.0000 52249.3912 -109468.1602 300.2780 -161717.5513 -109088.5860 299.1940 3.8621 36.7709 760446.0381 0.3034 0.3451 PRESSURE: 2709800 -284.892 143.418 182.224 143.418 -481.677 -183.295 182.225 -183.296 -40.3979 GPRESSURE: 2709800 -219.665 70.2378 216.356 136.478 -476.298 -154.172 179.803 -230.7 -38.464 PRESSAVG: 2709800 -21.8579 -63.3804 -21.8421 -63.3803 21.9578 -35.2459 -21.8421 -35.246 10.6379 GPRESSAVG: 2709800 -21.5467 -64.7136 -21.1352 -60.4997 22.0755 -35.6746 -19.4154 -36.2053 10.9578 TIMING: 2709800 CPU: 8634.35, 0.00314437/step Wall: 8634.35, 0.00314437/step, 2.00035 hours remaining, 240.871094 MB of memory in use. ENERGY: 2709800 4069.1056 20448.9611 14471.5231 252.8199 -203418.1244 2450.2424 0.0000 0.0000 52185.0576 -109540.4146 299.9082 -161725.4723 -109178.0154 299.2270 -268.9890 -244.8088 760701.1381 3.5793 3.8289 PRESSURE: 2710000 -354.887 -32.3353 -57.9633 -32.3356 -206.732 276.748 -57.963 276.746 -431.878 GPRESSURE: 2710000 -430.434 -36.1267 -54.0459 -42.613 -155.368 229.58 -124.789 291.866 -323.614 PRESSAVG: 2710000 -18.2114 -66.7312 10.1613 -66.7313 21.1284 21.8558 10.1613 21.8559 -1.25183 GPRESSAVG: 2710000 -18.6959 -66.0321 8.74622 -68.108 20.662 21.1484 7.60283 21.992 -0.731721 TIMING: 2710000 CPU: 8634.97, 0.00312867/step Wall: 8634.97, 0.00312867/step, 1.99018 hours remaining, 240.871094 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: 2710000 4031.9615 20374.7605 14467.4050 265.2945 -202953.6868 2297.9696 0.0000 0.0000 51800.7868 -109715.5091 297.6998 -161516.2959 -109350.0784 299.0742 -331.1656 -303.1388 761257.5796 0.5550 0.4115 PRESSURE: 2710200 -168.458 -59.1961 84.0455 -59.1965 140.891 -54.1623 84.0455 -54.1615 -321.03 GPRESSURE: 2710200 -125.469 -139.366 166.479 -68.6473 122.325 -16.3495 170.645 -76.0611 -261.972 PRESSAVG: 2710200 31.1615 -15.1794 46.3496 -15.1795 14.9846 18.7847 46.3496 18.7848 -8.34165 GPRESSAVG: 2710200 30.8856 -13.9175 47.5294 -15.2674 15.6993 21.5645 46.9614 19.1534 -8.96569 TIMING: 2710200 CPU: 8635.6, 0.00312985/step Wall: 8635.6, 0.00312985/step, 1.99076 hours remaining, 240.871094 MB of memory in use. ENERGY: 2710200 4026.4510 20573.5601 14599.7201 228.2653 -203324.6273 2363.2925 0.0000 0.0000 52135.9199 -109397.4184 299.6258 -161533.3383 -109030.3492 298.8320 -116.1989 -88.3719 762346.6910 12.6015 12.5397 PRESSURE: 2710400 -278.763 -57.9062 -152.318 -57.9056 370.103 211.158 -152.318 211.159 -109.036 GPRESSURE: 2710400 -113.064 -5.11688 -181.413 2.64249 319.102 232.486 -136.548 108.755 -118.339 PRESSAVG: 2710400 -54.4629 -7.57542 8.80731 -7.57543 44.7757 -14.0781 8.80724 -14.078 10.6893 GPRESSAVG: 2710400 -54.1019 -7.75533 8.53984 -7.66476 44.1721 -14.3716 9.77335 -13.2836 11.0959 TIMING: 2710400 CPU: 8636.22, 0.00312868/step Wall: 8636.22, 0.00312868/step, 1.98984 hours remaining, 240.871094 MB of memory in use. ENERGY: 2710400 3986.9631 20546.1838 14565.7181 245.9692 -203178.4330 2470.5489 0.0000 0.0000 51870.0995 -109492.9502 298.0982 -161363.0497 -109130.6701 299.1927 -5.8988 29.2327 761864.8232 0.3340 0.3887 PRESSURE: 2710600 -150.932 -113.251 -9.74763 -113.252 -191.14 145.272 -9.74571 145.273 84.243 GPRESSURE: 2710600 -58.7182 -9.0181 25.0539 -116.882 -214.653 247.213 -8.02809 -2.24365 93.87 PRESSAVG: 2710600 17.6919 -88.2241 -27.6638 -88.2242 -56.6585 -12.7253 -27.6638 -12.7253 29.2007 GPRESSAVG: 2710600 19.4185 -88.1524 -27.6363 -87.5523 -57.0962 -14.0777 -29.6888 -14.657 28.025 TIMING: 2710600 CPU: 8636.85, 0.0031224/step Wall: 8636.85, 0.0031224/step, 1.98567 hours remaining, 240.871094 MB of memory in use. ENERGY: 2710600 4010.8957 20687.1889 14540.0722 240.3354 -203240.5746 2505.9818 0.0000 0.0000 51861.1619 -109394.9389 298.0468 -161256.1008 -109048.3998 299.2412 -85.9432 -59.8339 761930.5724 -3.2553 -3.2176 PRESSURE: 2710800 72.7137 -124.836 -273.586 -124.835 134.75 77.9307 -273.587 77.9312 340.595 GPRESSURE: 2710800 142.996 -91.3 -255.226 -216.466 206.111 87.966 -267.029 22.8741 279.812 PRESSAVG: 2710800 9.11228 -18.4417 4.43202 -18.4417 11.1969 -29.3823 4.43208 -29.3823 2.17523 GPRESSAVG: 2710800 8.58017 -17.6707 4.05058 -19.783 11.6253 -28.3688 5.98827 -28.4602 2.45846 TIMING: 2710800 CPU: 8637.47, 0.00311793/step Wall: 8637.47, 0.00311793/step, 1.98266 hours remaining, 240.871094 MB of memory in use. ENERGY: 2710800 3991.4286 20686.6833 14538.3655 252.9331 -203481.9253 2757.9199 0.0000 0.0000 51933.1691 -109321.4258 298.4606 -161254.5949 -108963.7952 299.2205 182.6865 209.6396 761968.3151 7.4948 7.5547 PRESSURE: 2711000 211.499 124.706 -14.9736 124.706 -190.813 -17.7634 -14.9738 -17.7625 18.7787 GPRESSURE: 2711000 142.851 88.5161 5.56869 148.181 -38.1493 80.2456 13.8158 41.4016 27.5501 PRESSAVG: 2711000 37.413 -5.75494 -40.5668 -5.75496 12.0147 -6.71325 -40.5669 -6.71326 30.2237 GPRESSAVG: 2711000 36.176 -7.10073 -39.9208 -3.33556 13.1135 -6.25653 -42.4481 -6.31683 30.9957 TIMING: 2711000 CPU: 8638.1, 0.0031473/step Wall: 8638.1, 0.0031473/step, 2.00116 hours remaining, 240.871094 MB of memory in use. ENERGY: 2711000 3919.8770 20398.8458 14559.7852 250.4256 -203404.0655 2659.5198 0.0000 0.0000 52077.0565 -109538.5556 299.2876 -161615.6121 -109175.4953 299.2783 13.1549 44.0838 761344.2820 26.5504 26.7617 PRESSURE: 2711200 -461.377 -45.9801 33.8111 -45.9807 -60.8539 122.344 33.811 122.344 -456.184 GPRESSURE: 2711200 -388.745 24.4604 108.76 -178.547 -16.1409 88.0453 -40.854 155.311 -478.801 PRESSAVG: 2711200 -5.75555 -33.5884 30.7899 -33.5885 -2.30127 50.5888 30.7899 50.5889 -0.947329 GPRESSAVG: 2711200 -4.46455 -34.0347 31.0055 -36.0837 -2.9259 49.0942 31.9746 50.6237 -0.977186 TIMING: 2711200 CPU: 8638.73, 0.00313163/step Wall: 8638.73, 0.00313163/step, 1.99102 hours remaining, 240.871094 MB of memory in use. ENERGY: 2711200 3965.5745 20418.4100 14536.7518 239.5446 -203500.0084 2616.3122 0.0000 0.0000 52139.2268 -109584.1887 299.6449 -161723.4154 -109212.2373 299.3144 -326.1382 -294.5621 760805.4972 -3.0014 -2.7892 PRESSURE: 2711400 -227.034 20.4019 31.2578 20.4014 -146.549 -122.285 31.2589 -122.286 218.229 GPRESSURE: 2711400 -111.831 -11.9352 -38.5517 -36.6476 -180.621 -91.5865 91.2386 -206.074 247.217 PRESSAVG: 2711400 18.3313 12.017 -1.98363 12.017 -17.6238 44.7829 -1.98353 44.7828 -2.78856 GPRESSAVG: 2711400 19.2304 14.1887 -0.565982 11.5279 -17.1237 47.3224 -2.26584 42.329 -3.87584 TIMING: 2711400 CPU: 8639.35, 0.00311665/step Wall: 8639.35, 0.00311665/step, 1.98132 hours remaining, 240.871094 MB of memory in use. ENERGY: 2711400 3946.6650 20459.3254 14563.4916 244.8720 -203169.7537 2572.6859 0.0000 0.0000 51951.3068 -109431.4069 298.5649 -161382.7137 -109064.2514 298.8157 -51.7847 -15.0784 762569.4093 -0.6937 -0.5897 PRESSURE: 2711600 -45.9521 -22.4274 -99.422 -22.4276 5.76121 -26.5284 -99.4216 -26.5285 59.5169 GPRESSURE: 2711600 63.4226 -86.1011 -146.768 35.7604 46.9681 -79.4342 15.286 -99.1213 -8.54175 PRESSAVG: 2711600 47.3056 5.55375 6.60845 5.55374 -63.045 -13.0716 6.60842 -13.0716 25.2345 GPRESSAVG: 2711600 46.7292 3.24529 5.03962 9.07518 -62.8032 -15.1755 8.01544 -10.8559 25.3773 TIMING: 2711600 CPU: 8639.98, 0.00312607/step Wall: 8639.98, 0.00312607/step, 1.98714 hours remaining, 240.871094 MB of memory in use. ENERGY: 2711600 3989.4047 20325.1955 14525.9043 241.3127 -203491.0981 2776.8302 0.0000 0.0000 52138.6876 -109493.7631 299.6418 -161632.4506 -109122.6050 298.5584 6.4420 33.9496 762347.5667 3.1650 3.1011 PRESSURE: 2711800 -131.748 -69.0164 -257.255 -69.0156 -123.719 -221.746 -257.255 -221.746 -583.812 GPRESSURE: 2711800 -94.577 -139.16 -308.575 -90.6895 -180.583 -184.924 -188.332 24.6772 -495.634 PRESSAVG: 2711800 64.8976 -5.84947 10.3405 -5.84946 -54.4976 -19.1544 10.3405 -19.1544 -4.07725 GPRESSAVG: 2711800 65.4422 -5.43358 9.17828 -7.94097 -55.5154 -17.9961 9.23712 -18.4919 -3.59038 TIMING: 2711800 CPU: 8640.6, 0.00313666/step Wall: 8640.6, 0.00313666/step, 1.9937 hours remaining, 240.871094 MB of memory in use. ENERGY: 2711800 3964.7114 20432.3994 14594.2714 242.7289 -203279.2128 2579.3220 0.0000 0.0000 52046.1482 -109419.6314 299.1099 -161465.7797 -109055.6753 299.0243 -279.7595 -256.9316 761789.9336 2.1076 2.1121 PRESSURE: 2712000 166.945 -134.472 -112.775 -134.473 -194.872 206.523 -112.775 206.523 265.273 GPRESSURE: 2712000 286.158 -189.658 -150.708 -121.579 -169.047 148.982 -129.573 190.262 217.643 PRESSAVG: 2712000 44.0663 -52.7539 -62.3117 -52.7538 -69.818 -31.767 -62.3117 -31.767 3.17807 GPRESSAVG: 2712000 43.4186 -53.6013 -59.8932 -54.2423 -68.6564 -31.6296 -64.2539 -35.4101 2.67828 TIMING: 2712000 CPU: 8641.23, 0.00313019/step Wall: 8641.23, 0.00313018/step, 1.98941 hours remaining, 240.871094 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: 2712000 3929.2224 20374.8582 14560.3241 258.5953 -203205.0651 2763.1298 0.0000 0.0000 52061.4755 -109257.4598 299.1980 -161318.9353 -108891.1246 299.1941 79.1152 111.5848 764185.2930 -7.5245 -7.5198 PRESSURE: 2712200 187.962 -118.411 -46.8367 -118.41 155.538 -7.1781 -46.8366 -7.17774 23.7986 GPRESSURE: 2712200 201.148 -177.256 -49.9595 -43.7412 143.839 -66.1023 -41.5281 -70.5615 99.9375 PRESSAVG: 2712200 -15.665 -66.1748 -56.4286 -66.1748 34.7482 7.23887 -56.4286 7.2389 8.15482 GPRESSAVG: 2712200 -15.3285 -65.3844 -58.9868 -64.2713 33.0288 7.29493 -54.0556 8.74318 9.34825 TIMING: 2712200 CPU: 8641.86, 0.00313912/step Wall: 8641.86, 0.00313912/step, 1.99491 hours remaining, 240.871094 MB of memory in use. ENERGY: 2712200 4025.8303 20469.9296 14581.3708 248.7664 -203511.0443 2773.8701 0.0000 0.0000 52248.8229 -109162.4542 300.2747 -161411.2771 -108798.3923 299.3782 122.4329 148.3080 763094.3980 9.0794 9.0162 LDB: ============= START OF LOAD BALANCING ============== 8654.31 LDB: ============== END OF LOAD BALANCING =============== 8654.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8654.31 LDB: ============= START OF LOAD BALANCING ============== 8654.62 LDB: Largest compute 7038 load 0.035886 is 18.4% of average load 0.195258 LDB: Average compute 0.004391 is 2.2% of average load 0.195258 LDB: TIME 8654.63 LOAD: AVG 0.195258 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 8654.63 LOAD: AVG 0.195258 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 8654.63 LOAD: AVG 0.195258 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 8654.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8654.63 PRESSURE: 2712400 -115.604 -13.6373 65.4869 -13.6371 44.5533 109.201 65.4864 109.201 11.9706 GPRESSURE: 2712400 -1.79613 56.261 40.8955 20.987 3.93285 205.703 25.0038 -22.4165 28.1768 PRESSAVG: 2712400 -9.56037 -39.8976 -15.945 -39.8977 -28.016 -0.898867 -15.945 -0.898947 -10.6671 GPRESSAVG: 2712400 -9.28258 -37.9381 -14.1644 -41.9867 -28.7175 -0.019436 -15.8492 -1.46713 -10.2006 TIMING: 2712400 CPU: 8642.5, 0.00320309/step Wall: 8642.5, 0.00320309/step, 2.03539 hours remaining, 240.808594 MB of memory in use. ENERGY: 2712400 4014.7802 20533.9017 14514.7720 242.6612 -202960.7318 2491.1606 0.0000 0.0000 52026.7171 -109136.7389 298.9983 -161163.4560 -108786.6115 299.4397 -19.6934 10.1045 763909.4926 -16.0811 -16.0669 PRESSURE: 2712600 178.823 -0.714968 -180.449 -0.714331 492.215 -176.467 -180.448 -176.466 86.5217 GPRESSURE: 2712600 218.826 62.4722 -147.23 -149.062 494.423 -183.579 -152.643 -112.215 119.959 PRESSAVG: 2712600 -51.1058 -44.3968 -27.836 -44.3967 8.28681 -6.69387 -27.836 -6.69393 2.07796 GPRESSAVG: 2712600 -52.065 -44.5051 -27.9525 -44.6665 10.3866 -6.89081 -27.4151 -6.64772 0.96776 TIMING: 2712600 CPU: 8643.13, 0.00315351/step Wall: 8643.13, 0.00315351/step, 2.0037 hours remaining, 241.011719 MB of memory in use. ENERGY: 2712600 3913.5293 20424.7846 14569.6178 250.9316 -203415.6027 2793.7339 0.0000 0.0000 52310.6684 -109152.3371 300.6301 -161463.0055 -108787.9688 299.8006 252.5200 277.7361 760993.3425 -13.5803 -13.5702 PRESSURE: 2712800 -36.3479 198.507 69.3748 198.507 -524.505 2.24757 69.3746 2.24626 -129.985 GPRESSURE: 2712800 -49.7972 140.091 68.8253 144.69 -434.203 -4.00989 44.2959 3.07376 -114.449 PRESSAVG: 2712800 -36.8757 -12.2511 -78.2 -12.2511 38.6786 -28.3109 -78.2 -28.3109 25.2514 GPRESSAVG: 2712800 -36.7717 -13.941 -78.2325 -10.8493 38.5826 -30.3243 -79.7358 -26.3898 25.5958 TIMING: 2712800 CPU: 8643.76, 0.00314371/step Wall: 8643.76, 0.00314371/step, 1.9973 hours remaining, 241.011719 MB of memory in use. ENERGY: 2712800 4082.8422 20582.0953 14568.5716 228.9775 -203230.4747 2344.0555 0.0000 0.0000 52367.9421 -109055.9905 300.9593 -161423.9327 -108692.0515 300.0279 -230.2791 -199.4829 761886.3760 9.0181 9.1355 PRESSURE: 2713000 130.425 -165.512 140.577 -165.513 140.366 -30.0959 140.577 -30.0963 25.4338 GPRESSURE: 2713000 235.066 -18.107 192.359 -194.746 204.297 -1.93433 262.184 -43.3042 -57.8626 PRESSAVG: 2713000 13.5287 -15.3845 -51.8017 -15.3845 -2.27164 -34.0344 -51.8018 -34.0344 5.20524 GPRESSAVG: 2713000 14.2939 -16.5004 -51.3317 -13.4693 -2.77171 -34.3323 -50.5653 -33.8578 4.8311 TIMING: 2713000 CPU: 8644.38, 0.00313624/step Wall: 8644.38, 0.00313624/step, 1.99239 hours remaining, 241.011719 MB of memory in use. ENERGY: 2713000 4004.1881 20528.1877 14576.5811 262.2511 -203755.7893 2995.8972 0.0000 0.0000 52197.9137 -109190.7705 299.9821 -161388.6842 -108839.5504 300.2963 98.7415 127.1669 761285.9742 5.4874 5.4511 PRESSURE: 2713200 140.969 -101.588 92.7981 -101.588 451.905 146.486 92.7982 146.485 386.034 GPRESSURE: 2713200 140.246 -87.9359 86.4768 -103.069 485.475 121.345 87.0838 112.162 425.595 PRESSAVG: 2713200 26.9863 -3.93336 13.9691 -3.93337 -6.05064 9.3581 13.9691 9.35807 -3.0427 GPRESSAVG: 2713200 26.9959 -2.02783 13.878 -4.93628 -6.92479 9.87235 13.4448 7.43573 -2.44389 TIMING: 2713200 CPU: 8645.01, 0.00314689/step Wall: 8645.01, 0.00314689/step, 1.99897 hours remaining, 241.011719 MB of memory in use. ENERGY: 2713200 3866.3441 20606.6527 14491.8447 251.2506 -203358.4764 2791.6399 0.0000 0.0000 52220.2978 -109130.4465 300.1108 -161350.7444 -108758.8775 299.8057 326.3025 350.4386 760606.6592 5.9643 5.8757 PRESSURE: 2713400 -169.095 34.8321 -66.8491 34.8323 83.7027 -278.996 -66.8495 -278.996 -106.822 GPRESSURE: 2713400 -149.869 -15.0585 -72.2531 65.6847 10.5294 -238.295 -72.1484 -278.098 28.2386 PRESSAVG: 2713400 -6.36924 -14.1371 -31.9792 -14.1371 44.2618 -4.28222 -31.9792 -4.2823 -5.86063 GPRESSAVG: 2713400 -6.63374 -15.2116 -31.8701 -12.868 44.5147 -3.69918 -32.2638 -0.868198 -6.47324 TIMING: 2713400 CPU: 8645.64, 0.00312915/step Wall: 8645.64, 0.00312915/step, 1.98753 hours remaining, 241.011719 MB of memory in use. ENERGY: 2713400 3978.8254 20417.1533 14528.7064 234.2590 -203160.7625 2553.7581 0.0000 0.0000 52168.1039 -109279.9563 299.8108 -161448.0602 -108916.7118 299.6462 -64.0716 -37.0337 762555.1529 10.6773 10.4692 PRESSURE: 2713600 -237.327 250.303 71.5296 250.303 -40.4836 165.877 71.5289 165.877 -250.266 GPRESSURE: 2713600 -178.916 189.298 40.4512 245.564 -17.5858 63.8065 -36.597 122.509 -239.479 PRESSAVG: 2713600 8.29669 4.17884 36.1939 4.17877 21.6813 25.2571 36.1939 25.2571 -6.98614 GPRESSAVG: 2713600 7.25802 4.64075 34.5006 2.9041 23.1294 25.436 37.9352 22.341 -6.96103 TIMING: 2713600 CPU: 8646.27, 0.00314096/step Wall: 8646.27, 0.00314096/step, 1.99486 hours remaining, 241.011719 MB of memory in use. ENERGY: 2713600 3968.7424 20403.9558 14505.0632 273.9403 -203306.7385 2654.5420 0.0000 0.0000 52439.5380 -109060.9568 301.3707 -161500.4948 -108701.4665 299.6969 -176.0257 -145.3269 763697.6253 7.6639 7.8088 PRESSURE: 2713800 -66.7958 39.1587 -22.0849 39.1596 245.759 51.5756 -22.0849 51.5755 -466.012 GPRESSURE: 2713800 -30.7221 56.1979 86.6957 -68.475 308.225 108.081 87.5923 67.9734 -461.318 PRESSAVG: 2713800 -5.55463 3.64792 -13.0643 3.64787 -24.8903 25.3814 -13.0642 25.3814 10.4442 GPRESSAVG: 2713800 -3.95721 3.19002 -11.7852 3.75726 -25.2969 23.3247 -13.81 25.6621 9.21813 TIMING: 2713800 CPU: 8646.89, 0.00312456/step Wall: 8646.89, 0.00312456/step, 1.98427 hours remaining, 241.011719 MB of memory in use. ENERGY: 2713800 3983.5309 20343.3467 14484.2108 225.0500 -202971.8035 2383.0198 0.0000 0.0000 52023.7883 -109528.8571 298.9814 -161552.6453 -109167.9482 299.3734 -95.6828 -61.2715 761107.8931 -6.6669 -6.6787 PRESSURE: 2714000 -152.631 75.8044 -125.499 75.8058 -329.122 119.168 -125.499 119.168 -370.016 GPRESSURE: 2714000 -103.402 101.604 -145.415 59.1436 -286.478 -5.1744 -85.3402 18.111 -380.386 PRESSAVG: 2714000 16.9833 19.3902 -49.2553 19.3902 11.891 38.7643 -49.2553 38.7643 -6.08839 GPRESSAVG: 2714000 18.4138 19.2783 -48.7327 19.6897 11.1199 38.6541 -50.8843 40.6758 -6.45621 TIMING: 2714000 CPU: 8647.52, 0.00311987/step Wall: 8647.52, 0.00311987/step, 1.98112 hours remaining, 241.011719 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: 2714000 4044.3268 20462.8766 14548.7451 246.3476 -203667.5678 2554.7986 0.0000 0.0000 52219.2395 -109591.2337 300.1047 -161810.4732 -109222.9135 299.4528 -283.9231 -256.7556 761614.9432 7.5953 7.6925 PRESSURE: 2714200 -173.042 -27.979 -256.423 -27.9783 -73.0778 -161.422 -256.424 -161.423 236.603 GPRESSURE: 2714200 -138.179 -10.7237 -328.762 -75.0028 -32.2021 -207.682 -106.907 -210.933 243.175 PRESSAVG: 2714200 7.87305 -13.2148 -24.9749 -13.2147 -23.0879 6.32084 -24.9749 6.32087 3.4875 GPRESSAVG: 2714200 6.90684 -13.7699 -26.0905 -12.9652 -21.8481 6.90124 -24.6109 6.57346 2.91399 TIMING: 2714200 CPU: 8648.14, 0.00312429/step Wall: 8648.14, 0.00312429/step, 1.98375 hours remaining, 241.011719 MB of memory in use. ENERGY: 2714200 4010.8048 20653.4781 14488.0367 252.5307 -203447.8273 2378.4088 0.0000 0.0000 52050.9322 -109613.6360 299.1374 -161664.5682 -109262.2247 299.3949 -3.1722 24.2647 761428.9108 -3.9091 -4.0091 PRESSURE: 2714400 -59.6702 -25.3593 -150.948 -25.3594 -33.2154 114.968 -150.95 114.969 -227.487 GPRESSURE: 2714400 0.607591 44.2489 -73.7604 -56.5994 -106.894 51.6063 -185.179 86.6036 -147.663 PRESSAVG: 2714400 23.5742 14.6652 21.0002 14.6652 -11.6836 7.20985 21.0002 7.20989 23.2475 GPRESSAVG: 2714400 23.6868 17.3402 20.1746 14.0237 -13.4175 7.57641 22.4265 3.98468 24.8532 TIMING: 2714400 CPU: 8648.77, 0.00312793/step Wall: 8648.77, 0.00312793/step, 1.98589 hours remaining, 241.011719 MB of memory in use. ENERGY: 2714400 4017.1543 20566.0364 14538.2424 228.0188 -203646.3630 2644.8024 0.0000 0.0000 52167.6570 -109484.4516 299.8082 -161652.1087 -109120.7212 299.4718 -106.7908 -84.6498 761067.5929 11.7127 11.7075 PRESSURE: 2714600 -137.425 15.2777 205.33 15.278 -110.769 246.856 205.329 246.857 36.4742 GPRESSURE: 2714600 -172.531 128.849 251.062 67.3433 10.2053 212.937 172.166 273.023 26.2378 PRESSAVG: 2714600 -27.9894 12.1855 -13.0932 12.1855 8.70737 36.0737 -13.0932 36.0736 24.743 GPRESSAVG: 2714600 -28.6559 11.2136 -12.9922 12.9868 9.28436 36.2141 -13.2982 38.0399 24.8335 TIMING: 2714600 CPU: 8649.39, 0.00313418/step Wall: 8649.39, 0.00313418/step, 1.98968 hours remaining, 241.011719 MB of memory in use. ENERGY: 2714600 3962.4230 20494.3356 14567.2787 259.4363 -203433.2514 2366.8814 0.0000 0.0000 52079.2407 -109703.6558 299.3001 -161782.8965 -109349.3802 299.1206 -70.5731 -45.3626 760651.2900 1.8203 1.8206 PRESSURE: 2714800 245.72 165.914 -190.212 165.914 -101.34 141.468 -190.212 141.467 -87.8487 GPRESSURE: 2714800 162.465 2.79897 -201.734 126.864 -23.4508 190.609 -170.37 156.926 -21.9268 PRESSAVG: 2714800 -12.0857 31.6694 7.79761 31.6694 -12.2493 0.158464 7.79755 0.158435 4.42889 GPRESSAVG: 2714800 -12.801 30.6727 8.68555 32.2296 -11.2686 0.847875 9.14836 -1.20531 4.485 TIMING: 2714800 CPU: 8650.02, 0.00315301/step Wall: 8650.02, 0.00315301/step, 2.00146 hours remaining, 241.011719 MB of memory in use. ENERGY: 2714800 3963.4029 20520.1465 14542.5230 228.6099 -203380.9838 2546.2141 0.0000 0.0000 52038.9675 -109541.1199 299.0687 -161580.0874 -109175.1239 298.8725 18.8437 39.0291 760563.9861 -6.6354 -6.5282 PRESSURE: 2715000 99.6917 -74.3521 -229.8 -74.3525 4.38757 -63.5101 -229.801 -63.5097 269.395 GPRESSURE: 2715000 154.781 -12.5887 -300.813 -106.951 37.6012 -89.6391 -203.364 -88.4425 267.312 PRESSAVG: 2715000 6.47558 6.21621 -13.4338 6.21622 -29.5965 34.6196 -13.4338 34.6196 20.8996 GPRESSAVG: 2715000 7.17776 8.65341 -14.4529 4.02514 -31.3355 33.6498 -14.2796 37.0295 21.8959 TIMING: 2715000 CPU: 8650.66, 0.00316063/step Wall: 8650.66, 0.00316063/step, 2.00612 hours remaining, 241.011719 MB of memory in use. ENERGY: 2715000 3999.2117 20487.2593 14466.3581 246.7636 -203355.9201 2788.0085 0.0000 0.0000 52111.1173 -109257.2016 299.4833 -161368.3189 -108898.0285 299.4939 124.4913 153.2312 761197.2578 -0.7404 -0.7540 PRESSURE: 2715200 246.309 108.184 -81.1556 108.184 -99.1545 -15.4821 -81.1551 -15.4826 356.625 GPRESSURE: 2715200 319.86 51.1239 -41.3242 57.9652 -43.7154 62.4177 -8.61106 30.8655 310.878 PRESSAVG: 2715200 -46.4096 24.5665 59.3145 24.5665 56.347 3.721 59.3145 3.72091 25.7442 GPRESSAVG: 2715200 -45.0181 22.6889 61.3065 25.7009 56.7378 2.87935 60.6451 2.58979 24.0846 TIMING: 2715200 CPU: 8651.28, 0.00313489/step Wall: 8651.28, 0.00313489/step, 1.98961 hours remaining, 241.011719 MB of memory in use. ENERGY: 2715200 3901.1618 20450.6078 14583.4343 243.2520 -203305.4272 2645.8814 0.0000 0.0000 52320.1484 -109160.9415 300.6846 -161481.0900 -108794.6740 299.5026 167.9264 195.6744 761388.4535 11.8939 11.9348 PRESSURE: 2715400 -306.046 21.3598 -215.773 21.3595 -51.8925 127.981 -215.774 127.981 58.2399 GPRESSURE: 2715400 -121.337 18.7858 -197.358 53.3914 -51.5169 109.82 -216.833 12.2576 -35.7496 PRESSAVG: 2715400 46.3924 -55.4275 -22.8035 -55.4276 -32.405 -8.65639 -22.8035 -8.65646 18.3537 GPRESSAVG: 2715400 45.5646 -52.9383 -24.2873 -58.2807 -32.2095 -7.34316 -23.1397 -8.15387 18.6803 TIMING: 2715400 CPU: 8651.91, 0.00311952/step Wall: 8651.91, 0.00311952/step, 1.97968 hours remaining, 241.011719 MB of memory in use. ENERGY: 2715400 3951.4256 20410.9922 14490.3950 237.3139 -203121.1583 2398.8333 0.0000 0.0000 52233.3486 -109398.8496 300.1858 -161632.1982 -109026.8353 299.6174 -99.8995 -69.5345 762552.5059 10.7804 10.6785 PRESSURE: 2715600 -133.881 -16.3166 206.506 -16.3173 169.659 249.906 206.507 249.906 196.615 GPRESSURE: 2715600 -65.9761 34.2006 215.341 -11.1667 195.764 232.877 257.587 266.775 163.257 PRESSAVG: 2715600 26.1972 -25.7455 45.5208 -25.7454 17.9625 36.4677 45.5209 36.4677 11.8178 GPRESSAVG: 2715600 26.7634 -27.3197 45.9151 -23.7606 17.8708 35.9881 44.3589 37.283 10.5447 TIMING: 2715600 CPU: 8652.53, 0.00312478/step Wall: 8652.53, 0.00312478/step, 1.98285 hours remaining, 241.011719 MB of memory in use. ENERGY: 2715600 3964.1744 20495.5075 14479.8414 218.9259 -203150.5595 2450.5742 0.0000 0.0000 52105.6386 -109435.8973 299.4518 -161541.5360 -109062.6582 299.3112 77.4646 97.6819 760930.4102 18.6592 18.3929 PRESSURE: 2715800 163.808 40.6712 -50.6148 40.6716 9.85349 -169.801 -50.6156 -169.802 80.9577 GPRESSURE: 2715800 62.3009 111.153 -44.7934 12.7004 178.004 -152.512 -22.4497 -96.2167 92.0329 PRESSAVG: 2715800 -6.08561 1.63226 43.3035 1.63229 13.6322 30.0579 43.3035 30.0578 6.76259 GPRESSAVG: 2715800 -7.8633 1.30502 44.3351 0.2623 14.2309 29.0693 41.9785 28.0223 8.33022 TIMING: 2715800 CPU: 8653.16, 0.00312923/step Wall: 8653.16, 0.00312923/step, 1.9855 hours remaining, 241.011719 MB of memory in use. ENERGY: 2715800 4051.0442 20480.7144 14550.4892 227.8415 -203735.1026 2938.9143 0.0000 0.0000 52114.9488 -109371.1501 299.5053 -161486.0989 -108999.6706 299.7320 84.8732 110.7791 761743.1708 4.7697 4.8993 PRESSURE: 2716000 -144.983 220.062 76.5612 220.063 90.8489 -170.646 76.561 -170.645 -423.554 GPRESSURE: 2716000 -71.3715 247.328 -65.4925 277.57 59.8245 -252.677 -6.78799 -36.1392 -383.008 PRESSAVG: 2716000 21.1928 -23.9357 -13.9817 -23.9357 16.1532 31.7765 -13.9818 31.7765 -0.285939 GPRESSAVG: 2716000 21.6002 -24.8704 -15.7783 -20.8244 16.1014 32.064 -12.7995 33.4182 -0.897098 TIMING: 2716000 CPU: 8653.79, 0.00316872/step Wall: 8653.79, 0.00316872/step, 2.01038 hours remaining, 241.011719 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: 2716000 4086.0961 20485.3845 14515.9401 228.3231 -203448.3504 2721.0998 0.0000 0.0000 52187.1680 -109224.3387 299.9204 -161411.5066 -108864.1153 299.7873 -159.2293 -131.5184 761484.8625 12.3533 12.2682 PRESSURE: 2716200 -139.997 -183.137 86.2042 -183.137 -620.703 -72.5073 86.2043 -72.5079 81.9976 GPRESSURE: 2716200 -135.823 -91.4462 104.543 -136.047 -492.514 -93.4026 15.8132 -69.8465 12.294 PRESSAVG: 2716200 6.22016 16.2754 44.2646 16.2754 8.19288 44.3207 44.2647 44.3207 -14.7552 GPRESSAVG: 2716200 6.23148 18.9483 44.7931 14.3837 8.34579 43.5406 43.7525 42.9982 -15.3359 TIMING: 2716200 CPU: 8654.42, 0.00313698/step Wall: 8654.42, 0.00313698/step, 1.99007 hours remaining, 241.011719 MB of memory in use. ENERGY: 2716200 3989.6501 20590.3506 14510.1159 229.7893 -202888.2063 2090.7223 0.0000 0.0000 52126.4705 -109351.1078 299.5715 -161477.5783 -108983.6967 299.5520 -226.2343 -205.3476 761043.1239 -0.1141 -0.2529 LDB: ============= START OF LOAD BALANCING ============== 8666.87 LDB: ============== END OF LOAD BALANCING =============== 8666.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8666.87 LDB: ============= START OF LOAD BALANCING ============== 8667.18 LDB: Largest compute 7038 load 0.035736 is 18.3% of average load 0.195382 LDB: Average compute 0.004399 is 2.3% of average load 0.195382 LDB: TIME 8667.19 LOAD: AVG 0.195382 MAX 0.214103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 8667.19 LOAD: AVG 0.195382 MAX 0.214103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.648 MB LDB: TIME 8667.19 LOAD: AVG 0.195382 MAX 0.214103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.648 MB LDB: ============== END OF LOAD BALANCING =============== 8667.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8667.2 PRESSURE: 2716400 -41.1387 59.0568 110.517 59.0568 372.945 43.2854 110.517 43.2869 95.8041 GPRESSURE: 2716400 -38.3192 -80.9752 74.4831 45.7355 400.874 159.827 99.3194 85.7984 153.116 PRESSAVG: 2716400 -23.3146 28.5186 -12.8337 28.5187 40.2484 57.3674 -12.8337 57.3675 -21.0883 GPRESSAVG: 2716400 -23.9413 25.3117 -12.1664 28.5299 40.7678 58.6799 -12.8524 57.1421 -21.0231 TIMING: 2716400 CPU: 8655.06, 0.00320005/step Wall: 8655.06, 0.00320005/step, 2.0299 hours remaining, 240.347656 MB of memory in use. ENERGY: 2716400 3972.4953 20485.1337 14597.8558 234.4493 -203588.4294 2585.1569 0.0000 0.0000 52433.3270 -109280.0114 301.3351 -161713.3383 -108904.2129 299.6990 142.5367 171.8905 759079.5573 -1.3848 -1.3989 PRESSURE: 2716600 -173.278 -202.139 134.31 -202.138 -46.6967 -205.758 134.309 -205.758 142.411 GPRESSURE: 2716600 -52.4449 -175.244 200.816 -276.363 -73.3073 -327.27 1.21358 -183.693 136.364 PRESSAVG: 2716600 43.9804 44.8656 -8.93028 44.8657 -31.6478 -15.7591 -8.93034 -15.7591 2.99832 GPRESSAVG: 2716600 45.8582 47.2592 -8.05991 44.8126 -33.9345 -16.5333 -7.92205 -15.8106 3.30323 TIMING: 2716600 CPU: 8655.68, 0.00312054/step Wall: 8655.68, 0.00312054/step, 1.97929 hours remaining, 240.550781 MB of memory in use. ENERGY: 2716600 3990.0383 20802.1566 14557.4598 263.3581 -203348.7266 2334.9866 0.0000 0.0000 52297.7416 -109102.9857 300.5558 -161400.7272 -108732.9788 300.4265 -25.8545 3.5372 759843.2442 5.1103 5.0756 PRESSURE: 2716800 86.4517 -16.3129 -88.826 -16.3127 51.9963 -28.2562 -88.8261 -28.2556 106.325 GPRESSURE: 2716800 168.134 24.4382 -147.928 -108.109 44.3417 -50.2231 -185.195 -126.657 122.329 PRESSAVG: 2716800 16.889 -12.9483 -6.06371 -12.9483 1.77131 4.88106 -6.06368 4.88104 -15.8553 GPRESSAVG: 2716800 15.1092 -15.6713 -6.40539 -13.5141 3.231 6.12218 -8.38217 3.67312 -15.4823 TIMING: 2716800 CPU: 8656.31, 0.0031487/step Wall: 8656.31, 0.0031487/step, 1.99698 hours remaining, 240.550781 MB of memory in use. ENERGY: 2716800 4080.0653 20445.1138 14527.2553 252.0461 -203305.2978 2622.0152 0.0000 0.0000 52387.6696 -108991.1325 301.0727 -161378.8021 -108619.5654 300.3665 81.5909 111.6013 760641.2767 0.9350 0.9526 PRESSURE: 2717000 172.705 -227.55 67.1807 -227.551 100.061 -24.4751 67.1812 -24.4756 426.712 GPRESSURE: 2717000 154.073 -154.981 144.488 -272.819 167.108 29.8899 23.8921 -67.1293 465.394 PRESSAVG: 2717000 59.8106 -40.164 -8.73595 -40.1641 -63.4513 -8.78857 -8.73593 -8.78867 -11.4195 GPRESSAVG: 2717000 58.9628 -39.9593 -9.29332 -39.8986 -62.6627 -11.1333 -7.80174 -7.24991 -10.6932 TIMING: 2717000 CPU: 8656.95, 0.00319645/step Wall: 8656.95, 0.00319645/step, 2.02708 hours remaining, 240.550781 MB of memory in use. ENERGY: 2717000 4106.1223 20570.5508 14541.4421 235.6627 -203467.5451 2569.6335 0.0000 0.0000 52312.8456 -109131.2880 300.6426 -161444.1336 -108762.3071 300.1868 233.1592 262.1915 760255.0447 -5.0201 -4.7977 PRESSURE: 2717200 122.163 -139.654 -210.8 -139.654 172.983 74.9104 -210.799 74.9102 14.6145 GPRESSURE: 2717200 127.682 -133.806 -219.826 -127.946 235.57 47.4919 -183.992 6.87608 21.2909 PRESSAVG: 2717200 47.8108 -17.4872 -6.2526 -17.4872 37.2083 -21.8731 -6.25253 -21.873 5.56865 GPRESSAVG: 2717200 49.1946 -15.4428 -6.22822 -19.196 35.621 -20.1104 -6.8169 -21.6399 5.31227 TIMING: 2717200 CPU: 8657.59, 0.00317281/step Wall: 8657.59, 0.00317281/step, 2.01191 hours remaining, 240.550781 MB of memory in use. ENERGY: 2717200 4049.2730 20634.2633 14597.2231 247.9864 -203757.2878 2767.9917 0.0000 0.0000 52080.0191 -109380.5312 299.3046 -161460.5503 -109018.3260 300.0732 103.2536 128.1810 761327.1953 30.1959 30.0426 PRESSURE: 2717400 -116.915 -133.884 100.147 -133.884 -29.3159 43.6535 100.148 43.6545 331.667 GPRESSURE: 2717400 -30.7092 -143.929 36.9384 -126.24 -63.0212 17.5204 189.292 45.065 354.392 PRESSAVG: 2717400 27.7097 5.48446 -32.8257 5.48447 -32.6543 -20.5172 -32.8257 -20.5173 1.04621 GPRESSAVG: 2717400 27.1068 4.96831 -30.851 6.54883 -31.188 -21.7848 -34.3821 -20.6616 0.289285 TIMING: 2717400 CPU: 8658.22, 0.00316153/step Wall: 8658.22, 0.00316153/step, 2.00459 hours remaining, 240.550781 MB of memory in use. ENERGY: 2717400 3994.8364 20429.8940 14625.7644 251.4090 -203356.4308 2667.5879 0.0000 0.0000 51984.5250 -109402.4140 298.7558 -161386.9390 -109042.4929 299.0057 61.8119 86.8872 760937.3988 -1.2995 -1.2640 PRESSURE: 2717600 19.4524 85.8385 264.614 85.8382 81.8976 31.4172 264.614 31.4171 432.494 GPRESSURE: 2717600 149.864 106.645 245.911 -4.43794 56.2734 107.714 213.961 20.9933 425.433 PRESSAVG: 2717600 36.1266 31.3472 13.1117 31.3472 -64.9755 -8.35148 13.1116 -8.35144 2.65455 GPRESSAVG: 2717600 37.6382 29.9604 10.0072 31.8074 -66.9518 -7.01394 14.6218 -11.1386 3.74253 TIMING: 2717600 CPU: 8658.85, 0.00313056/step Wall: 8658.85, 0.00313056/step, 1.98478 hours remaining, 240.550781 MB of memory in use. ENERGY: 2717600 3993.9457 20410.6569 14575.4846 237.3055 -203719.3572 3015.7961 0.0000 0.0000 52247.4846 -109238.6839 300.2670 -161486.1685 -108874.1384 299.1247 177.9479 210.5235 759754.1404 -8.7315 -8.5237 PRESSURE: 2717800 -115.352 -79.9409 -94.228 -79.9419 217.755 8.3169 -94.2278 8.31636 -8.18266 GPRESSURE: 2717800 -142.191 -2.21166 -114.817 -54.0446 268.102 27.8704 -77.5959 -107.489 59.8437 PRESSAVG: 2717800 -11.3356 -10.5019 43.4674 -10.5019 2.1279 -0.95658 43.4674 -0.956627 -5.98609 GPRESSAVG: 2717800 -11.6852 -11.2017 44.6526 -8.13674 2.91181 -0.195628 44.3342 -1.52375 -6.603 TIMING: 2717800 CPU: 8659.47, 0.00311807/step Wall: 8659.47, 0.00311807/step, 1.97668 hours remaining, 240.550781 MB of memory in use. ENERGY: 2717800 3965.1953 20706.9997 14496.5932 260.0453 -203255.7814 2603.8834 0.0000 0.0000 52042.1445 -109180.9201 299.0869 -161223.0646 -108828.1069 300.2003 31.4068 61.9184 761062.7874 -5.0646 -5.1254 PRESSURE: 2718000 486.655 -54.881 -31.0056 -54.8818 270.481 -358.218 -31.0047 -358.218 103.632 GPRESSURE: 2718000 490.268 -7.84534 -5.67239 -51.4937 360.989 -323.802 -11.8001 -250.387 111.963 PRESSAVG: 2718000 32.0389 -16.1612 5.84078 -16.1612 -26.5795 -72.2612 5.84071 -72.2611 17.1691 GPRESSAVG: 2718000 31.4383 -16.8439 6.31228 -17.5812 -25.864 -74.2848 6.0381 -69.8638 17.2178 TIMING: 2718000 CPU: 8660.1, 0.00314512/step Wall: 8660.1, 0.00314512/step, 1.99366 hours remaining, 240.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 3955.8620 20553.0775 14536.0458 250.6886 -203518.5140 2698.3526 0.0000 0.0000 52036.3169 -109488.1706 299.0534 -161524.4875 -109127.5285 299.7732 286.9228 321.0734 759879.9177 7.5429 7.5974 PRESSURE: 2718200 -200.89 -103.216 -36.7668 -103.216 -80.7972 126.143 -36.7669 126.143 25.7396 GPRESSURE: 2718200 -61.1918 -108.795 -129.611 -63.0934 -174.966 88.6482 14.7097 66.2527 43.4605 PRESSAVG: 2718200 31.7115 -49.2046 -21.8326 -49.2045 -62.51 -31.4442 -21.8326 -31.4442 16.917 GPRESSAVG: 2718200 31.0663 -47.6182 -21.1356 -47.9213 -62.3382 -30.627 -22.7393 -31.6967 17.2438 TIMING: 2718200 CPU: 8660.73, 0.00315145/step Wall: 8660.73, 0.00315146/step, 1.9975 hours remaining, 240.550781 MB of memory in use. ENERGY: 2718200 4041.0830 20562.2446 14516.2250 232.1524 -203538.9178 2646.2614 0.0000 0.0000 52092.6976 -109448.2538 299.3774 -161540.9514 -109091.5617 299.2034 -85.3157 -64.2323 759130.9877 -4.6272 -4.6761 PRESSURE: 2718400 -144.573 -39.915 -147.209 -39.9148 38.6997 9.75295 -147.209 9.75316 -60.0996 GPRESSURE: 2718400 -89.9597 -10.2906 -46.6034 0.207858 121.864 70.6715 -229.579 3.99984 -108.798 PRESSAVG: 2718400 -3.23295 -1.47617 -45.8621 -1.47615 -7.06474 22.6453 -45.8622 22.6453 7.12462 GPRESSAVG: 2718400 -2.42175 -2.107 -48.3419 -2.44659 -6.40032 22.7236 -44.2967 23.7379 6.15223 TIMING: 2718400 CPU: 8661.35, 0.00313164/step Wall: 8661.35, 0.00313164/step, 1.98476 hours remaining, 240.550781 MB of memory in use. ENERGY: 2718400 3956.5430 20571.6025 14537.7048 258.5537 -203482.2818 2417.9869 0.0000 0.0000 52162.9030 -109576.9880 299.7809 -161739.8910 -109211.8625 299.7324 -55.3245 -25.6314 761240.3157 -1.0577 -0.8899 PRESSURE: 2718600 -194.111 -5.56732 -345.534 -5.56764 20.7545 49.8946 -345.533 49.8954 -123.578 GPRESSURE: 2718600 -125.701 3.38656 -483.727 -70.7931 66.0549 31.9097 -244.559 12.4583 -155.029 PRESSAVG: 2718600 -17.0187 31.0636 -20.5962 31.0636 45.9047 -18.7464 -20.5962 -18.7464 3.07513 GPRESSAVG: 2718600 -15.7659 28.7879 -20.0214 31.8284 45.2424 -18.5003 -21.3813 -20.8431 3.23309 TIMING: 2718600 CPU: 8661.98, 0.00311898/step Wall: 8661.98, 0.00311898/step, 1.97657 hours remaining, 240.550781 MB of memory in use. ENERGY: 2718600 4043.5314 20510.2377 14547.7401 233.3957 -203947.9937 2877.1698 0.0000 0.0000 52142.3173 -109593.6017 299.6626 -161735.9190 -109235.5505 299.1746 -98.9780 -71.5586 762117.8047 10.6537 10.9032 PRESSURE: 2718800 -187.105 155.679 -143.086 155.68 -607.014 -245.111 -143.086 -245.111 -269.535 GPRESSURE: 2718800 -196.498 128.877 -193.878 159.998 -449.633 -307.184 16.0312 -180.617 -351.739 PRESSAVG: 2718800 42.2807 -6.46519 32.6418 -6.46524 -29.2352 -35.2336 32.6418 -35.2337 -0.528476 GPRESSAVG: 2718800 40.7813 -5.16768 32.9045 -5.63573 -29.4473 -36.4618 32.6101 -33.3536 0.0994343 TIMING: 2718800 CPU: 8662.6, 0.00311735/step Wall: 8662.6, 0.00311735/step, 1.97536 hours remaining, 240.550781 MB of memory in use. ENERGY: 2718800 3994.6135 20492.0173 14512.1395 260.8767 -203192.4338 2330.7552 0.0000 0.0000 51923.7206 -109678.3110 298.4063 -161602.0316 -109316.1741 298.8824 -354.5514 -332.6232 762629.0773 4.1723 3.8112 PRESSURE: 2719000 -69.2577 -69.2711 215.087 -69.272 6.74989 141.172 215.087 141.171 205.695 GPRESSURE: 2719000 -23.4408 -26.8015 232.375 -38.3296 45.3139 60.5868 18.3947 69.1507 187.346 PRESSAVG: 2719000 -34.1495 20.7848 -21.3802 20.7847 41.2016 -21.4088 -21.3803 -21.4088 -19.8341 GPRESSAVG: 2719000 -33.5243 22.3348 -21.3935 18.8381 40.7868 -20.1941 -21.1332 -20.6602 -19.6005 TIMING: 2719000 CPU: 8663.23, 0.0031203/step Wall: 8663.23, 0.00312031/step, 1.97706 hours remaining, 240.550781 MB of memory in use. ENERGY: 2719000 3941.2303 20562.4654 14537.7013 276.9380 -203535.3176 2584.5837 0.0000 0.0000 52079.7603 -109552.6385 299.3031 -161632.3988 -109193.1455 299.1595 47.7289 69.7397 761157.4273 -4.2607 -4.1127 PRESSURE: 2719200 119.509 -1.84246 -166.24 -1.84191 -514.666 -255.379 -166.24 -255.38 -179.407 GPRESSURE: 2719200 110.362 -10.9744 -183.194 -35.3466 -417.148 -230.541 -129.179 -113.35 -192.519 PRESSAVG: 2719200 -12.6986 10.2972 -34.3598 10.2972 -10.3084 -72.1717 -34.3598 -72.1717 -12.1534 GPRESSAVG: 2719200 -14.1931 8.65407 -34.52 11.4892 -8.29219 -71.8884 -34.8607 -73.2658 -12.9566 TIMING: 2719200 CPU: 8663.85, 0.00313619/step Wall: 8663.85, 0.00313619/step, 1.98695 hours remaining, 240.550781 MB of memory in use. ENERGY: 2719200 4009.1352 20576.9349 14527.3431 232.4853 -203583.9844 2612.8014 0.0000 0.0000 52117.7239 -109507.5607 299.5213 -161625.2846 -109142.1737 299.4982 -191.5216 -166.4348 761729.5110 -11.7201 -11.8140 PRESSURE: 2719400 1.21728 166.47 -329.198 166.471 62.6066 -25.71 -329.198 -25.7102 -132.738 GPRESSURE: 2719400 91.3616 171.275 -388.824 141.544 44.8731 11.6223 -215.593 -13.4995 -117.013 PRESSAVG: 2719400 -14.7815 18.7592 -50.0112 18.7592 17.2538 -5.41723 -50.0112 -5.41733 -1.8563 GPRESSAVG: 2719400 -13.2098 19.514 -49.7426 18.5288 15.2108 -8.20769 -51.2437 -3.15628 -1.59531 TIMING: 2719400 CPU: 8664.48, 0.00314629/step Wall: 8664.48, 0.00314629/step, 1.99317 hours remaining, 240.550781 MB of memory in use. ENERGY: 2719400 4014.2619 20558.0727 14455.2655 244.2407 -203508.1684 2632.4507 0.0000 0.0000 52012.4859 -109591.3910 298.9165 -161603.8769 -109229.1700 299.1549 -22.9712 6.4073 762700.6704 0.2053 0.1352 PRESSURE: 2719600 -244.649 -6.27274 192.515 -6.27311 -186.336 -66.0688 192.515 -66.0688 -222.338 GPRESSURE: 2719600 -117.821 117.954 207.714 -23.6002 -199.698 -54.7883 121.704 74.5089 -258.82 PRESSAVG: 2719600 -5.50676 23.1311 1.74575 23.1311 -46.2941 -21.5817 1.74575 -21.5818 -2.66609 GPRESSAVG: 2719600 -6.84421 24.431 1.45397 22.6215 -45.2602 -18.5895 2.78277 -23.4507 -2.36743 TIMING: 2719600 CPU: 8665.11, 0.0031547/step Wall: 8665.11, 0.0031547/step, 1.99833 hours remaining, 240.550781 MB of memory in use. ENERGY: 2719600 4031.4703 20531.9755 14483.6452 236.5591 -203425.6048 2411.1510 0.0000 0.0000 52266.2942 -109464.5094 300.3751 -161730.8036 -109082.5574 299.0954 -217.7746 -192.1128 762715.2376 -18.1557 -18.1573 PRESSURE: 2719800 93.1063 -287.117 9.85959 -287.116 39.9616 -109.93 9.85874 -109.932 -135.802 GPRESSURE: 2719800 82.1371 -182.875 -37.8705 -202.274 64.7481 -115.151 -93.1317 -120.314 -69.8405 PRESSAVG: 2719800 1.60072 -19.9497 7.43155 -19.9498 52.5452 8.7439 7.43152 8.74398 2.7702 GPRESSAVG: 2719800 4.0117 -22.3152 7.67002 -18.8108 51.0665 8.69196 7.35237 7.45772 2.57294 TIMING: 2719800 CPU: 8665.74, 0.00313683/step Wall: 8665.74, 0.00313683/step, 1.98683 hours remaining, 240.550781 MB of memory in use. ENERGY: 2719800 4022.8600 20490.9824 14421.0194 251.8284 -203488.2706 2824.3896 0.0000 0.0000 51882.5269 -109594.6638 298.1696 -161477.1908 -109231.0290 299.1096 -0.9113 25.6816 761264.3823 18.9720 19.2170 PRESSURE: 2720000 11.7073 18.0541 16.4402 18.0545 125.97 -68.9001 16.4405 -68.9002 138.049 GPRESSURE: 2720000 -2.93609 72.6519 22.1434 28.2395 258.047 -25.7095 -27.4457 -100.273 127.524 PRESSAVG: 2720000 44.4617 -58.3169 33.2494 -58.3169 -22.7929 -38.8759 33.2494 -38.8758 -3.78273 GPRESSAVG: 2720000 43.6417 -55.9675 31.9558 -59.52 -22.831 -37.7357 33.5252 -39.5407 -3.02748 TIMING: 2720000 CPU: 8666.37, 0.00312593/step Wall: 8666.37, 0.00312593/step, 1.97976 hours remaining, 240.550781 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: 2720000 3981.0461 20430.1714 14515.4830 230.7332 -203804.6573 2890.2276 0.0000 0.0000 52179.0763 -109577.9197 299.8739 -161756.9960 -109204.8424 298.4625 91.9088 127.5452 760335.2970 5.9620 5.9277 PRESSURE: 2720200 -72.6909 71.0328 -0.740482 71.0339 -221.629 -158.999 -0.74102 -159 76.7811 GPRESSURE: 2720200 -16.7801 63.2637 -84.5833 12.0885 -224.245 -298.357 26.3074 -15.0214 86.7149 PRESSAVG: 2720200 2.01931 -3.72684 22.4307 -3.72683 11.8242 -64.2635 22.4307 -64.2635 20.9127 GPRESSAVG: 2720200 2.4511 -5.63691 22.7581 -2.88113 12.927 -66.1317 21.1468 -62.8228 19.5773 TIMING: 2720200 CPU: 8666.99, 0.0031387/step Wall: 8666.99, 0.0031387/step, 1.98767 hours remaining, 240.550781 MB of memory in use. ENERGY: 2720200 4017.8313 20522.2864 14526.6365 252.5320 -203374.9558 2329.7175 0.0000 0.0000 52174.1072 -109551.8450 299.8453 -161725.9522 -109183.4069 298.8192 -72.5129 -51.4368 761764.6256 11.5854 11.6518 LDB: ============= START OF LOAD BALANCING ============== 8679.44 LDB: ============== END OF LOAD BALANCING =============== 8679.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.45 LDB: ============= START OF LOAD BALANCING ============== 8679.76 LDB: Largest compute 7070 load 0.034448 is 17.6% of average load 0.195262 LDB: Average compute 0.004401 is 2.3% of average load 0.195262 LDB: TIME 8679.76 LOAD: AVG 0.195262 MAX 0.216117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 8679.76 LOAD: AVG 0.195262 MAX 0.216117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.672 MB LDB: TIME 8679.76 LOAD: AVG 0.195262 MAX 0.216117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.672 MB LDB: ============== END OF LOAD BALANCING =============== 8679.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.77 PRESSURE: 2720400 -63.3639 -56.9198 49.2549 -56.9206 177.722 -17.9942 49.2552 -17.9956 79.4622 GPRESSURE: 2720400 -24.8013 -6.72475 75.1724 -71.5722 233.784 -99.0566 115.106 -124.007 74.0596 PRESSAVG: 2720400 -17.0873 22.0099 34.9007 22.0099 16.444 -30.0017 34.9008 -30.0017 -10.1891 GPRESSAVG: 2720400 -18.5929 21.5682 35.881 23.1906 17.2522 -28.4456 35.3793 -30.2248 -9.31233 TIMING: 2720400 CPU: 8667.63, 0.0032053/step Wall: 8667.63, 0.0032053/step, 2.02966 hours remaining, 240.925781 MB of memory in use. ENERGY: 2720400 3940.2401 20439.1848 14489.0291 248.5875 -203273.0066 2533.1394 0.0000 0.0000 52002.0332 -109620.7925 298.8564 -161622.8258 -109259.1960 298.8855 64.6068 94.3473 762139.3885 -3.6108 -3.5510 PRESSURE: 2720600 278.765 78.7482 -226.769 78.7485 -201.345 91.2001 -226.769 91.2004 -282.384 GPRESSURE: 2720600 265.001 -8.10763 -271.371 136.704 -143.938 73.5704 -158.723 42.7931 -232.59 PRESSAVG: 2720600 -14.6806 -4.05346 50.7567 -4.05348 -24.4238 5.3728 50.7567 5.37277 8.44194 GPRESSAVG: 2720600 -14.2066 -1.74159 50.8552 -5.43928 -24.9393 4.29076 49.711 6.01626 8.53436 TIMING: 2720600 CPU: 8668.26, 0.00314593/step Wall: 8668.26, 0.00314593/step, 1.9919 hours remaining, 240.925781 MB of memory in use. ENERGY: 2720600 3957.7316 20519.8541 14454.1253 229.6249 -203625.4138 2769.4214 0.0000 0.0000 52069.1313 -109625.5252 299.2420 -161694.6564 -109272.7150 298.6788 -68.3215 -37.1759 762729.1520 -10.2208 -10.2038 PRESSURE: 2720800 15.0629 -153.738 -203.958 -153.739 119.746 54.0348 -203.959 54.0363 -172.443 GPRESSURE: 2720800 34.9155 -50.5369 -109.924 -64.5686 200.015 24.7591 -252.242 72.7507 -214.974 PRESSAVG: 2720800 -6.63943 53.5 7.968 53.5 24.7634 -51.5699 7.96802 -51.5699 -11.0741 GPRESSAVG: 2720800 -5.95783 52.8664 8.3978 55.3216 24.3597 -52.7613 9.02703 -52.0082 -12.1086 TIMING: 2720800 CPU: 8668.89, 0.00315514/step Wall: 8668.89, 0.00315514/step, 1.99755 hours remaining, 240.925781 MB of memory in use. ENERGY: 2720800 3969.9622 20523.5479 14455.2171 245.5035 -203343.6063 2516.5980 0.0000 0.0000 52071.4506 -109561.3270 299.2553 -161632.7777 -109194.3216 299.0926 -12.5449 6.6522 761474.0074 2.3499 2.0977 PRESSURE: 2721000 212.193 48.1386 188.961 48.1388 216.35 -7.30335 188.96 -7.30394 57.6222 GPRESSURE: 2721000 105.999 62.9861 191.519 56.1285 305.837 -14.8766 303.03 -51.5871 153.221 PRESSAVG: 2721000 -46.8864 32.3638 3.64151 32.3638 27.4119 -56.274 3.64154 -56.274 -11.4217 GPRESSAVG: 2721000 -46.7397 30.3488 3.1145 32.4185 26.2289 -55.1712 3.90773 -57.1603 -10.218 TIMING: 2721000 CPU: 8669.52, 0.0031485/step Wall: 8669.52, 0.0031485/step, 1.99318 hours remaining, 240.925781 MB of memory in use. ENERGY: 2721000 3946.2539 20440.2399 14455.8287 254.5529 -203522.8621 2539.9259 0.0000 0.0000 52102.0924 -109783.9684 299.4314 -161886.0608 -109415.2406 299.2945 162.0551 188.3523 761196.3367 -10.2988 -10.2429 PRESSURE: 2721200 -118.556 149.615 130.881 149.616 56.22 176.604 130.88 176.602 -459.549 GPRESSURE: 2721200 -57.2011 93.3822 90.1402 131.267 109.501 176.923 190.735 139.096 -500.429 PRESSAVG: 2721200 -16.0457 -9.54656 61.665 -9.54668 96.7909 17.5441 61.665 17.544 -21.1308 GPRESSAVG: 2721200 -16.463 -9.08601 61.5635 -9.39717 97.4313 18.0086 63.4425 18.9615 -21.6028 TIMING: 2721200 CPU: 8670.16, 0.00315279/step Wall: 8670.16, 0.00315279/step, 1.99572 hours remaining, 240.925781 MB of memory in use. ENERGY: 2721200 3997.3979 20315.6257 14477.5756 244.0792 -203402.4329 2699.1601 0.0000 0.0000 51950.4867 -109718.1078 298.5602 -161668.5945 -109350.7321 298.6292 -173.9619 -149.3762 760229.3730 19.8715 19.7885 PRESSURE: 2721400 -161.495 -89.1581 -3.96007 -89.1579 48.3695 14.2761 -3.96073 14.2754 -157.399 GPRESSURE: 2721400 -141.977 -5.99351 -38.3904 -195.62 55.3907 18.5165 1.43905 -75.5599 -119.484 PRESSAVG: 2721400 10.9738 -65.5143 -2.91636 -65.5142 -2.0015 15.7885 -2.91642 15.7884 5.42313 GPRESSAVG: 2721400 10.5942 -62.4583 -0.882227 -68.8641 -2.53136 13.3013 -5.66058 15.3729 5.97772 TIMING: 2721400 CPU: 8670.78, 0.00312278/step Wall: 8670.78, 0.00312278/step, 1.97654 hours remaining, 240.925781 MB of memory in use. ENERGY: 2721400 4019.9092 20438.6655 14555.3133 243.7450 -203334.5473 2489.0091 0.0000 0.0000 51889.9877 -109697.9173 298.2125 -161587.9051 -109336.6113 298.6345 -90.1746 -68.6899 761002.8878 4.7985 4.6802 PRESSURE: 2721600 172.456 75.3228 74.5422 75.3232 -67.082 -211.57 74.5427 -211.57 -20.3849 GPRESSURE: 2721600 242.803 102.032 71.1222 39.0316 -32.258 -265.182 107.592 -155.754 -41.7139 PRESSAVG: 2721600 58.5556 8.06333 27.2229 8.06336 -11.2209 4.63495 27.2228 4.63492 -11.1167 GPRESSAVG: 2721600 59.4854 5.86799 26.5995 9.76822 -11.8336 6.36128 28.4097 3.26728 -11.5214 TIMING: 2721600 CPU: 8671.41, 0.00313997/step Wall: 8671.41, 0.00313997/step, 1.98725 hours remaining, 240.925781 MB of memory in use. ENERGY: 2721600 3947.6589 20461.8346 14486.1140 214.2850 -203686.8758 2707.2763 0.0000 0.0000 52157.0883 -109712.6186 299.7475 -161869.7069 -109360.7026 298.4979 28.3296 56.2769 759219.3672 12.0727 12.0435 PRESSURE: 2721800 -281.382 -28.9097 168.834 -28.9093 -215.184 63.1844 168.834 63.185 -220.407 GPRESSURE: 2721800 -271.537 -6.34042 240.643 -8.08781 -153.758 -20.9544 248.095 51.4482 -196.389 PRESSAVG: 2721800 8.87896 -39.8957 4.76173 -39.8957 -10.4545 -35.2205 4.76174 -35.2206 -6.0924 GPRESSAVG: 2721800 8.84958 -38.7159 4.02742 -40.6681 -10.1825 -36.7136 3.55487 -32.8628 -6.0169 TIMING: 2721800 CPU: 8672.04, 0.00315036/step Wall: 8672.04, 0.00315036/step, 1.99365 hours remaining, 240.925781 MB of memory in use. ENERGY: 2721800 4054.1275 20472.6799 14444.1171 247.0895 -203583.3169 2619.5393 0.0000 0.0000 52089.2402 -109656.5234 299.3576 -161745.7637 -109290.8372 298.6038 -238.9911 -207.2279 760316.1226 -2.5560 -2.4500 PRESSURE: 2722000 -69.4636 -229.686 -90.8277 -229.687 35.6579 -204.135 -90.828 -204.135 286.115 GPRESSURE: 2722000 -59.0753 -165.151 -91.3932 -163.004 93.4852 -274.817 -222.776 -67.4896 300.663 PRESSAVG: 2722000 -12.2375 -16.9546 -25.9761 -16.9546 -3.8861 -39.0742 -25.9761 -39.0742 25.4089 GPRESSAVG: 2722000 -11.5824 -18.3235 -27.0797 -16.2759 -4.06194 -40.7404 -26.587 -38.9397 24.654 TIMING: 2722000 CPU: 8672.66, 0.00313235/step Wall: 8672.66, 0.00313235/step, 1.98208 hours remaining, 240.925781 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: 2722000 3953.8234 20508.8922 14478.7229 247.4227 -203109.7545 2454.1142 0.0000 0.0000 51854.7221 -109612.0570 298.0098 -161466.7791 -109254.7028 298.5682 84.1032 111.6911 760852.8718 3.0951 3.0032 PRESSURE: 2722200 173.53 127.287 19.6732 127.287 185.24 -94.786 19.6734 -94.787 -129.286 GPRESSURE: 2722200 114.385 147.161 35.986 40.3405 206.968 -29.675 -15.7473 -119.293 -25.7989 PRESSAVG: 2722200 19.1367 -7.71406 -62.7513 -7.71402 -33.072 -11.7322 -62.7513 -11.7323 3.7731 GPRESSAVG: 2722200 18.0616 -5.58258 -60.9889 -9.32389 -33.9215 -9.75685 -60.9431 -12.7348 5.11971 TIMING: 2722200 CPU: 8673.29, 0.00314152/step Wall: 8673.29, 0.00314152/step, 1.98771 hours remaining, 240.925781 MB of memory in use. ENERGY: 2722200 4062.9861 20399.1057 14519.8330 242.0179 -203263.5526 2620.8050 0.0000 0.0000 51996.2493 -109422.5556 298.8232 -161418.8050 -109057.4696 298.9855 76.4949 98.5180 759924.0668 -3.3874 -3.5800 PRESSURE: 2722400 -182.477 -20.576 20.3869 -20.5755 -25.5235 -161.94 20.3867 -161.939 -230.946 GPRESSURE: 2722400 -123.648 -110.588 25.1288 104.755 47.9835 -157.616 -26.797 -70.8012 -288.155 PRESSAVG: 2722400 30.0191 -18.4884 -2.42304 -18.4884 -35.5696 -32.2648 -2.42303 -32.2649 -20.1926 GPRESSAVG: 2722400 29.5412 -17.7843 -3.12165 -17.1599 -34.7975 -30.1912 -3.62618 -31.9504 -20.5319 TIMING: 2722400 CPU: 8673.92, 0.00314861/step Wall: 8673.92, 0.00314861/step, 1.99202 hours remaining, 240.925781 MB of memory in use. ENERGY: 2722400 3975.1733 20427.1913 14549.2865 255.7456 -203613.4674 2536.0269 0.0000 0.0000 52233.1391 -109636.9047 300.1846 -161870.0438 -109278.8324 299.0672 -146.3155 -121.2730 760811.7433 -8.5810 -8.5960 PRESSURE: 2722600 42.4551 -274.822 121.965 -274.822 385.92 -203.919 121.965 -203.919 -8.46814 GPRESSURE: 2722600 74.4453 -273.939 110.094 -251.287 378.479 -312.375 81.0796 -177.931 37.3737 PRESSAVG: 2722600 -5.01086 -31.2263 13.3213 -31.2263 30.1075 -49.1575 13.3213 -49.1575 20.2782 GPRESSAVG: 2722600 -4.78823 -33.4392 13.1209 -30.3363 29.9759 -51.6368 15.0333 -49.3242 20.5502 TIMING: 2722600 CPU: 8674.55, 0.00313682/step Wall: 8674.55, 0.00313682/step, 1.98438 hours remaining, 240.925781 MB of memory in use. ENERGY: 2722600 3912.0443 20361.2364 14602.0098 239.6394 -203931.5995 2883.3753 0.0000 0.0000 52272.8604 -109660.4340 300.4128 -161933.2943 -109292.2008 299.4187 139.9691 163.4327 760047.5074 15.1250 15.2460 PRESSURE: 2722800 459.972 -4.14063 -64.1473 -4.1407 322.76 168.114 -64.1467 168.115 -102.335 GPRESSURE: 2722800 501.881 9.94042 -128.95 15.1578 389.445 105.069 5.59046 165.216 -120.776 PRESSAVG: 2722800 35.9971 -2.53729 63.9373 -2.53726 3.2754 22.2557 63.9374 22.2559 -11.5327 GPRESSAVG: 2722800 36.3706 -3.1442 63.1789 -3.51059 3.59145 24.702 63.302 22.3985 -12.1516 TIMING: 2722800 CPU: 8675.18, 0.00315454/step Wall: 8675.18, 0.00315454/step, 1.99542 hours remaining, 240.925781 MB of memory in use. ENERGY: 2722800 4014.1171 20484.0038 14531.3583 248.7291 -203677.9122 2804.7369 0.0000 0.0000 52149.0422 -109445.9248 299.7013 -161594.9671 -109085.8929 299.1126 226.7988 256.8498 760309.4662 9.2466 9.2702 PRESSURE: 2723000 29.0876 -139.639 -115.412 -139.639 2.954 53.4778 -115.412 53.4781 224.796 GPRESSURE: 2723000 31.2149 -95.7367 -31.8813 -131.434 114.323 102.313 -112.207 -82.2751 211.908 PRESSAVG: 2723000 2.66835 23.5323 21.862 23.5323 -14.9492 -39.8379 21.862 -39.8378 -3.3832 GPRESSAVG: 2723000 1.89012 25.6196 22.165 23.4284 -13.5934 -40.838 23.5809 -39.2386 -4.34841 TIMING: 2723000 CPU: 8675.81, 0.00312741/step Wall: 8675.81, 0.00312741/step, 1.97809 hours remaining, 240.925781 MB of memory in use. ENERGY: 2723000 3899.0628 20319.8613 14553.5734 247.1971 -203020.2508 2390.9039 0.0000 0.0000 52072.7719 -109536.8804 299.2629 -161609.6523 -109175.9378 299.0428 85.6126 119.1487 763029.9687 -5.2213 -5.3506 PRESSURE: 2723200 -302.787 -27.464 -132.709 -27.4631 -345.666 -222.447 -132.71 -222.448 30.2499 GPRESSURE: 2723200 -254.3 -43.4055 -178.225 23.9667 -212.303 -261.511 -76.2853 -229.392 -64.588 PRESSAVG: 2723200 -55.8705 -36.8058 36.9625 -36.8057 43.2764 -15.167 36.9625 -15.1671 2.00506 GPRESSAVG: 2723200 -56.2419 -37.9739 38.333 -38.2002 43.2779 -14.1988 35.6949 -19.5323 2.32656 TIMING: 2723200 CPU: 8676.43, 0.00313832/step Wall: 8676.43, 0.00313832/step, 1.98481 hours remaining, 240.925781 MB of memory in use. ENERGY: 2723200 4011.7938 20641.9053 14489.7611 248.9754 -203184.0028 2442.4589 0.0000 0.0000 52035.5850 -109313.5232 299.0492 -161349.1082 -108957.2000 299.0869 -206.0677 -177.0635 761131.7287 -3.5297 -3.5458 PRESSURE: 2723400 43.1673 -89.8163 154.659 -89.8167 -70.1968 -221.557 154.659 -221.558 -111.396 GPRESSURE: 2723400 19.5822 -48.2366 157.808 -246.241 -29.2268 -301.845 13.2489 -138.098 -45.4751 PRESSAVG: 2723400 1.65885 -83.8302 -0.918754 -83.8302 4.49185 -5.43292 -0.918765 -5.43294 9.8392 GPRESSAVG: 2723400 2.01735 -83.6421 -2.85952 -82.092 3.78315 -9.04384 -1.27037 -1.14094 9.8014 TIMING: 2723400 CPU: 8677.06, 0.00314325/step Wall: 8677.06, 0.00314325/step, 1.98776 hours remaining, 240.925781 MB of memory in use. ENERGY: 2723400 4032.8476 20644.9997 14484.4813 252.2890 -203181.0779 2324.9094 0.0000 0.0000 52005.2536 -109436.2974 298.8749 -161441.5510 -109083.8380 299.7832 -46.1418 -18.3732 760527.1253 5.3300 5.2006 PRESSURE: 2723600 13.612 -92.1586 -74.5117 -92.1581 -267.128 116.44 -74.5114 116.44 -71.3714 GPRESSURE: 2723600 1.65087 -54.4593 -36.1478 -137.479 -167.36 105.46 71.9081 -23.3372 -75.767 PRESSAVG: 2723600 21.0073 -69.7885 20.2488 -69.7886 -6.09649 1.24087 20.2489 1.24091 -14.2181 GPRESSAVG: 2723600 21.3997 -69.5644 22.364 -69.0482 -6.6712 3.50597 19.4748 1.0265 -13.6293 TIMING: 2723600 CPU: 8677.69, 0.0031442/step Wall: 8677.69, 0.0031442/step, 1.98818 hours remaining, 240.925781 MB of memory in use. ENERGY: 2723600 4045.5614 20584.8075 14539.2656 260.6211 -203062.6976 2400.9579 0.0000 0.0000 51803.3411 -109428.1429 297.7145 -161231.4840 -109073.1846 299.5248 -108.2959 -80.4920 762480.4917 0.2309 0.3664 PRESSURE: 2723800 103.37 131.78 -128.245 131.779 -205.672 -312.46 -128.246 -312.46 209.972 GPRESSURE: 2723800 60.6354 97.3714 -114.265 121.585 -154.338 -348.612 -166.61 -268.518 278.36 PRESSAVG: 2723800 14.017 -32.6471 -14.0319 -32.6471 -7.96503 11.486 -14.0319 11.4859 17.3733 GPRESSAVG: 2723800 13.2851 -32.0403 -15.7607 -33.8803 -7.12208 12.1354 -13.3506 10.5503 17.2293 TIMING: 2723800 CPU: 8678.32, 0.00316634/step Wall: 8678.32, 0.00316634/step, 2.002 hours remaining, 240.925781 MB of memory in use. ENERGY: 2723800 4021.5926 20551.6182 14533.0936 241.1930 -203529.8063 2644.2287 0.0000 0.0000 52178.1994 -109359.8809 299.8688 -161538.0803 -108997.4452 299.9316 35.8897 61.5526 762053.0002 7.8084 7.7975 PRESSURE: 2724000 -41.9898 -119.556 22.5596 -119.556 64.8666 -158.827 22.5582 -158.828 162.767 GPRESSURE: 2724000 13.8792 -123.134 36.0311 -125.605 45.2387 -123.023 21.2138 -135.009 217.969 PRESSAVG: 2724000 -2.40963 -34.1794 19.4077 -34.1794 26.8696 35.5389 19.4076 35.5389 -2.78403 GPRESSAVG: 2724000 -2.06534 -35.208 20.7901 -33.8368 26.6525 35.186 18.1991 34.763 -2.32876 TIMING: 2724000 CPU: 8678.96, 0.00315356/step Wall: 8678.96, 0.00315356/step, 1.99375 hours remaining, 240.925781 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: 2724000 4049.9195 20495.5519 14529.0854 269.9980 -203377.2331 2560.7515 0.0000 0.0000 52254.7324 -109217.1945 300.3087 -161471.9268 -108850.1262 300.0361 61.8814 92.3624 760872.5477 7.2253 7.4195 PRESSURE: 2724200 201.23 -15.0304 -51.6488 -15.0294 161.981 124.324 -51.6496 124.323 96.4125 GPRESSURE: 2724200 232.818 -18.2974 -46.8662 14.7639 189.63 69.1276 -92.474 100.874 143.928 PRESSAVG: 2724200 4.17852 -40.1677 -6.07942 -40.1676 6.84776 41.4813 -6.07947 41.4813 7.05446 GPRESSAVG: 2724200 4.55159 -41.9592 -7.62037 -41.6753 6.22918 41.35 -5.15336 40.2423 7.44182 TIMING: 2724200 CPU: 8679.58, 0.00313455/step Wall: 8679.58, 0.00313455/step, 1.98156 hours remaining, 240.925781 MB of memory in use. ENERGY: 2724200 3991.5432 20596.1902 14519.3380 253.0811 -203522.4946 2670.4037 0.0000 0.0000 52340.6607 -109151.2777 300.8025 -161491.9384 -108790.3654 300.3089 153.2076 188.7922 760606.6754 6.0269 6.0742 LDB: ============= START OF LOAD BALANCING ============== 8692.03 LDB: ============== END OF LOAD BALANCING =============== 8692.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8692.03 LDB: ============= START OF LOAD BALANCING ============== 8692.35 LDB: Largest compute 7070 load 0.035428 is 18.1% of average load 0.195323 LDB: Average compute 0.004399 is 2.3% of average load 0.195323 LDB: TIME 8692.35 LOAD: AVG 0.195323 MAX 0.216223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 8692.35 LOAD: AVG 0.195323 MAX 0.216223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: TIME 8692.35 LOAD: AVG 0.195323 MAX 0.216223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: ============== END OF LOAD BALANCING =============== 8692.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8692.36 PRESSURE: 2724400 -22.2907 139.683 137.838 139.683 -373.769 -226.607 137.839 -226.607 -253.918 GPRESSURE: 2724400 49.6223 226.589 127.869 137.098 -320.843 -217.331 64.3633 -136.741 -303.832 PRESSAVG: 2724400 15.1735 23.1526 46.3377 23.1526 -21.8358 35.1781 46.3378 35.178 -35.7589 GPRESSAVG: 2724400 14.4051 25.1022 48.5609 23.0901 -20.7411 34.5399 45.0639 37.4087 -36.1928 TIMING: 2724400 CPU: 8680.22, 0.00319548/step Wall: 8680.22, 0.00319548/step, 2.0199 hours remaining, 240.078125 MB of memory in use. ENERGY: 2724400 4023.5078 20607.7493 14516.5878 261.2763 -203369.7331 2504.2161 0.0000 0.0000 52069.2266 -109387.1693 299.2426 -161456.3959 -109028.2340 299.7705 -216.6594 -191.6843 761224.4923 -14.1404 -14.1763 PRESSURE: 2724600 -200.701 54.2711 -21.991 54.2713 -71.5532 81.0247 -21.9922 81.0252 -186.346 GPRESSURE: 2724600 -174.551 -10.3108 7.81267 11.6264 -112.843 -45.3231 -60.8846 117.54 -87.2685 PRESSAVG: 2724600 -9.10622 -21.9454 28.4166 -21.9454 -9.73381 34.4616 28.4165 34.4616 7.1222 GPRESSAVG: 2724600 -8.34451 -22.5024 27.6069 -22.3903 -10.1562 35.7396 28.3186 34.0893 6.14877 TIMING: 2724600 CPU: 8680.85, 0.00314015/step Wall: 8680.85, 0.00314015/step, 1.98475 hours remaining, 240.281250 MB of memory in use. ENERGY: 2724600 4050.2353 20520.0264 14537.3975 245.3454 -203115.8244 2371.7613 0.0000 0.0000 51999.6188 -109391.4397 298.8425 -161391.0585 -109031.4045 300.1834 -152.8667 -124.8875 758557.4985 -3.9059 -4.1173 PRESSURE: 2724800 158.977 -119.003 160.878 -119.004 -19.0228 -186.416 160.877 -186.416 107.349 GPRESSURE: 2724800 167.746 -59.6935 118.776 -117.531 92.0227 -93.1128 92.7202 -104.56 57.7028 PRESSAVG: 2724800 21.3593 27.9182 -26.1537 27.9183 28.5477 -42.2784 -26.1537 -42.2785 -5.1697 GPRESSAVG: 2724800 21.6767 26.2329 -26.8907 29.6589 28.4224 -42.148 -25.8897 -40.6381 -5.50699 TIMING: 2724800 CPU: 8681.48, 0.00313506/step Wall: 8681.48, 0.00313506/step, 1.98136 hours remaining, 240.281250 MB of memory in use. ENERGY: 2724800 4062.7178 20420.2342 14527.2353 237.5950 -203191.0036 2349.3492 0.0000 0.0000 51933.8569 -109660.0153 298.4646 -161593.8721 -109287.9471 299.2731 82.4341 105.8239 759477.1665 14.9125 14.8640 PRESSURE: 2725000 -21.6333 84.6347 238.906 84.6347 -17.8789 81.3918 238.907 81.3925 -21.4523 GPRESSURE: 2725000 39.1668 43.288 320.554 10.6315 -8.86883 181.284 173.373 -2.8686 -14.8225 PRESSAVG: 2725000 23.3236 -3.3988 11.1834 -3.39878 -16.5353 -18.5577 11.1834 -18.5576 -0.0150696 GPRESSAVG: 2725000 22.889 -2.34752 11.331 -2.92289 -17.0217 -17.318 13.5161 -19.2629 0.996413 TIMING: 2725000 CPU: 8682.11, 0.00314876/step Wall: 8682.11, 0.00314876/step, 1.98984 hours remaining, 240.281250 MB of memory in use. ENERGY: 2725000 3954.2839 20520.4190 14471.6718 234.5508 -203141.5485 2541.8400 0.0000 0.0000 51898.0753 -109520.7078 298.2590 -161418.7831 -109163.2713 299.0583 -20.3215 5.1585 761278.3761 2.2577 2.2879 PRESSURE: 2725200 -268.23 -89.0182 65.4182 -89.0176 -300.317 -108.599 65.4179 -108.6 76.0781 GPRESSURE: 2725200 -165.962 -117.85 1.55807 91.4059 -245.413 -115.385 54.9509 -2.247 12.164 PRESSAVG: 2725200 4.45215 -39.1626 -3.26094 -39.1626 18.2121 -30.3302 -3.261 -30.3303 -12.9907 GPRESSAVG: 2725200 4.89651 -39.9032 -4.6834 -40.1635 18.6005 -32.1982 -2.94916 -31.3528 -13.4297 TIMING: 2725200 CPU: 8682.74, 0.00314629/step Wall: 8682.74, 0.00314629/step, 1.98811 hours remaining, 240.281250 MB of memory in use. ENERGY: 2725200 3906.2027 20700.6497 14447.8664 234.7529 -203285.1507 2319.2886 0.0000 0.0000 52224.3603 -109452.0302 300.1341 -161676.3905 -109076.1999 298.8153 -164.1561 -133.0704 761908.1506 3.2245 3.3558 PRESSURE: 2725400 246.538 -27.6792 -90.048 -27.6787 -44.8374 17.5507 -90.0483 17.5508 -275.439 GPRESSURE: 2725400 293.169 -127.789 -20.2913 69.8018 -24.6787 19.6191 -84.4195 6.3823 -250.774 PRESSAVG: 2725400 -30.0333 -22.5662 -14.2345 -22.5663 -1.86714 -25.9123 -14.2346 -25.9123 12.2231 GPRESSAVG: 2725400 -30.5288 -21.6127 -14.6474 -21.1449 -1.0851 -25.8521 -15.1817 -25.5015 11.9714 TIMING: 2725400 CPU: 8683.36, 0.00311448/step Wall: 8683.36, 0.00311448/step, 1.96783 hours remaining, 240.281250 MB of memory in use. ENERGY: 2725400 4021.3452 20533.1099 14510.1797 238.4971 -203198.0053 2333.7823 0.0000 0.0000 51978.0898 -109583.0014 298.7188 -161561.0913 -109215.6036 299.4700 -24.5795 5.9057 759024.1861 -6.5591 -6.5475 PRESSURE: 2725600 -300.084 -314.284 -30.9163 -314.284 -289.611 194.49 -30.9158 194.49 -41.5288 GPRESSURE: 2725600 -316.031 -343.17 -34.4771 -226.349 -235.548 279.559 57.9 182.384 6.82442 PRESSAVG: 2725600 57.8368 -48.4217 8.29928 -48.4218 -36.8443 49.2391 8.29929 49.2392 -9.64214 GPRESSAVG: 2725600 57.7878 -47.5104 8.92355 -51.2866 -37.3226 49.1437 9.42554 49.8995 -9.22462 TIMING: 2725600 CPU: 8683.98, 0.00310857/step Wall: 8683.98, 0.00310857/step, 1.96393 hours remaining, 240.281250 MB of memory in use. ENERGY: 2725600 4031.4020 20533.1297 14611.2552 242.6197 -203356.9655 2351.0541 0.0000 0.0000 52003.9798 -109583.5249 298.8676 -161587.5047 -109217.7487 298.9178 -210.4077 -181.5849 760801.6521 3.7834 3.7469 PRESSURE: 2725800 299.886 -7.26878 164.704 -7.26848 -195.962 277.097 164.703 277.098 -69.5534 GPRESSURE: 2725800 222.044 6.32208 31.7366 26.1714 -66.4928 259.105 8.10054 178.461 -53.6827 PRESSAVG: 2725800 3.8647 -5.30444 4.51024 -5.30442 -42.244 22.2578 4.51019 22.2578 1.29002 GPRESSAVG: 2725800 2.91446 -7.55128 4.31319 -3.99269 -41.7871 23.4663 1.08599 21.2043 1.72147 TIMING: 2725800 CPU: 8684.6, 0.00312265/step Wall: 8684.6, 0.00312265/step, 1.97265 hours remaining, 240.281250 MB of memory in use. ENERGY: 2725800 4024.5280 20507.4092 14472.1562 247.8331 -203563.5662 2705.2745 0.0000 0.0000 52211.7261 -109394.6389 300.0615 -161606.3650 -109035.8318 299.5579 11.4569 33.9563 762963.9903 -12.3631 -12.3837 PRESSURE: 2726000 294.852 83.651 -68.8086 83.6511 306.486 223.226 -68.8076 223.226 -31.0808 GPRESSURE: 2726000 475.87 86.3115 -89.1288 90.6603 198.633 216.222 51.9378 1.28977 -25.3295 PRESSAVG: 2726000 5.34105 -15.6763 -24.5252 -15.6764 -8.07954 20.4268 -24.5253 20.4268 6.66203 GPRESSAVG: 2726000 6.11749 -14.5431 -22.8837 -13.3055 -8.52541 19.1701 -23.258 19.2607 5.94156 TIMING: 2726000 CPU: 8685.23, 0.00310613/step Wall: 8685.23, 0.00310613/step, 1.96204 hours remaining, 240.281250 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: 2726000 3959.4266 20356.0108 14514.6239 241.2566 -203541.0118 2839.5288 0.0000 0.0000 52258.5497 -109371.6153 300.3306 -161630.1650 -109004.7259 299.3556 190.0857 216.3909 760372.9168 1.3078 1.1779 PRESSURE: 2726200 50.7243 -9.70385 55.5137 -9.70435 -225.014 31.2258 55.514 31.2252 -205.935 GPRESSURE: 2726200 69.6988 -72.0222 -14.5875 69.4958 -148.947 -57.014 95.7614 123.619 -209.641 PRESSAVG: 2726200 -17.4139 7.28712 -7.10022 7.28727 13.4747 47.9611 -7.1002 47.9612 17.5148 GPRESSAVG: 2726200 -18.058 6.00417 -8.86282 4.91574 14.4561 48.0992 -5.88974 49.3058 17.2816 TIMING: 2726200 CPU: 8685.85, 0.00311686/step Wall: 8685.85, 0.00311686/step, 1.96864 hours remaining, 240.281250 MB of memory in use. ENERGY: 2726200 3968.6863 20491.8145 14537.8674 250.5286 -203245.9037 2593.1959 0.0000 0.0000 52013.9298 -109389.8812 298.9248 -161403.8110 -109014.8136 299.3047 -126.7416 -96.2964 760808.2027 4.5252 4.5599 PRESSURE: 2726400 184.718 -168.519 -119.922 -168.52 76.4971 66.6852 -119.922 66.6838 4.06228 GPRESSURE: 2726400 135.908 -252.533 -101.061 -193.591 117.666 70.958 -66.5283 19.5153 102.197 PRESSAVG: 2726400 36.9546 -92.7992 -21.0439 -92.7993 11.5536 27.9216 -21.0438 27.9216 25.5255 GPRESSAVG: 2726400 37.7795 -89.843 -19.9822 -92.9699 10.2068 29.1838 -21.4601 27.5332 25.6496 TIMING: 2726400 CPU: 8686.47, 0.00312416/step Wall: 8686.47, 0.00312416/step, 1.97308 hours remaining, 240.281250 MB of memory in use. ENERGY: 2726400 4031.3021 20564.6598 14547.7482 257.1409 -203148.4740 2221.7317 0.0000 0.0000 52184.6239 -109341.2673 299.9058 -161525.8912 -108973.9517 299.3926 88.4257 118.5903 759924.3601 24.6779 24.5453 PRESSURE: 2726600 -370.257 -249.561 170.7 -249.561 -13.1309 0.440609 170.7 0.440476 174.333 GPRESSURE: 2726600 -359 -103.455 90.5656 -180.359 0.206057 35.9556 72.5631 -23.3608 214.927 PRESSAVG: 2726600 31.2526 -30.2541 49.3628 -30.2542 -20.6601 -33.6449 49.3627 -33.6449 -18.2958 GPRESSAVG: 2726600 30.7505 -31.2181 49.5183 -30.5881 -21.4699 -35.161 48.5995 -33.3512 -16.753 TIMING: 2726600 CPU: 8687.1, 0.00313446/step Wall: 8687.1, 0.00313446/step, 1.97941 hours remaining, 240.281250 MB of memory in use. ENERGY: 2726600 3989.7861 20716.8124 14549.2329 253.0897 -203134.1738 2314.7713 0.0000 0.0000 52012.7161 -109297.7653 298.9178 -161310.4814 -108945.2044 299.5943 -69.6851 -47.9555 761710.6816 -2.5678 -2.4908 PRESSURE: 2726800 -496.868 3.33079 -64.8015 3.33033 237.2 -197.626 -64.8013 -197.625 -69.7727 GPRESSURE: 2726800 -403.071 -19.9581 -34.8259 -42.282 118.779 -214.496 80.0476 -136.273 41.0163 PRESSAVG: 2726800 -18.3265 -62.9862 -15.5745 -62.9862 20.8726 -8.98545 -15.5745 -8.98549 -8.05425 GPRESSAVG: 2726800 -17.1877 -62.7226 -13.92 -63.9674 21.513 -7.47614 -16.4539 -9.14817 -9.95795 TIMING: 2726800 CPU: 8687.72, 0.00311444/step Wall: 8687.72, 0.00311444/step, 1.9666 hours remaining, 240.281250 MB of memory in use. ENERGY: 2726800 3958.0404 20395.0893 14568.8155 234.6850 -203483.0984 2711.1277 0.0000 0.0000 52491.4797 -109123.8607 301.6693 -161615.3403 -108755.3736 299.7548 -109.8134 -81.0918 761372.7153 -1.8360 -1.8775 PRESSURE: 2727000 -1.36124 -96.4722 -75.3404 -96.4726 -31.3319 120.802 -75.3393 120.803 84.401 GPRESSURE: 2727000 24.5609 -7.94506 -122.314 -99.2777 14.5288 110.403 -60.1008 120.101 87.6449 PRESSAVG: 2727000 92.1061 -53.308 47.7429 -53.308 -60.5858 12.0189 47.743 12.019 -7.55574 GPRESSAVG: 2727000 90.4161 -54.6491 44.0113 -51.5509 -58.4615 11.2121 50.5415 12.8041 -8.26281 TIMING: 2727000 CPU: 8688.35, 0.00312468/step Wall: 8688.35, 0.00312468/step, 1.97289 hours remaining, 240.281250 MB of memory in use. ENERGY: 2727000 4001.4392 20644.3484 14524.6866 238.0024 -203369.8689 2652.7118 0.0000 0.0000 52184.4426 -109124.2380 299.9047 -161308.6805 -108766.1369 300.0472 17.2359 42.2449 760685.7126 7.9882 7.8973 PRESSURE: 2727200 -134.447 177.036 58.2258 177.036 126.73 146.223 58.2259 146.224 -141.95 GPRESSURE: 2727200 -134.4 165.623 18.5531 220.875 164.749 88.8116 -23.936 170.889 -112.912 PRESSAVG: 2727200 32.861 -11.2821 51.1486 -11.2821 0.902116 -23.2038 51.1486 -23.2038 3.02298 GPRESSAVG: 2727200 32.7426 -11.1454 51.525 -8.99292 0.558844 -24.3479 52.5382 -23.0335 3.52015 TIMING: 2727200 CPU: 8688.97, 0.0031217/step Wall: 8688.97, 0.0031217/step, 1.97083 hours remaining, 240.281250 MB of memory in use. ENERGY: 2727200 4006.3861 20514.5730 14574.3261 233.2777 -203697.2145 2987.8370 0.0000 0.0000 52381.8984 -108998.9162 301.0395 -161380.8146 -108641.4658 299.7842 -49.8890 -27.5207 761726.3570 12.2620 12.2739 PRESSURE: 2727400 -3.54294 -266.071 185.487 -266.072 -403.318 202.039 185.486 202.04 -339.753 GPRESSURE: 2727400 11.7132 -244.582 163.213 -211.554 -335.729 235.536 181.414 160.688 -340.421 PRESSAVG: 2727400 -4.6905 -26.5508 10.9207 -26.5508 -24.3091 33.0205 10.9207 33.0205 8.28068 GPRESSAVG: 2727400 -4.12185 -25.5921 13.4881 -27.9576 -26.0616 32.8537 7.86 35.0369 9.53654 TIMING: 2727400 CPU: 8689.6, 0.00312425/step Wall: 8689.6, 0.00312425/step, 1.97227 hours remaining, 240.281250 MB of memory in use. ENERGY: 2727400 4023.0553 20580.3267 14607.4753 244.4538 -203639.6425 2809.1166 0.0000 0.0000 52386.8029 -108988.4119 301.0677 -161375.2148 -108638.9416 300.4672 -248.8712 -221.4788 762744.6279 -6.9063 -6.8823 PRESSURE: 2727600 -95.4619 -119.151 -252.709 -119.152 228.564 -46.9953 -252.708 -46.9937 -199.895 GPRESSURE: 2727600 -8.30971 -221.493 -203.846 8.70822 200.003 35.378 -252.484 18.6825 -168.551 PRESSAVG: 2727600 0.111089 -33.9795 40.0836 -33.9795 11.5667 6.85378 40.0836 6.85384 3.22452 GPRESSAVG: 2727600 0.592156 -35.9013 40.3903 -34.7891 12.0086 7.14712 41.1033 4.59493 2.56054 TIMING: 2727600 CPU: 8690.22, 0.00310898/step Wall: 8690.22, 0.00310898/step, 1.96246 hours remaining, 240.281250 MB of memory in use. ENERGY: 2727600 4014.9369 20405.8286 14549.1574 239.6773 -203435.0899 2773.7053 0.0000 0.0000 52183.7336 -109268.0508 299.9006 -161451.7844 -108908.6344 300.2995 -22.2644 7.7138 763054.3091 4.9674 5.0538 PRESSURE: 2727800 -171.632 134.418 -78.8692 134.419 260.462 -70.1121 -78.8691 -70.1119 -106.824 GPRESSURE: 2727800 -154.852 112.074 -162.396 73.6945 250.706 -114.913 -4.16502 -92.9683 -31.8071 PRESSAVG: 2727800 -19.2057 -62.7842 22.8928 -62.7842 58.1718 -27.2598 22.8929 -27.2597 29.3777 GPRESSAVG: 2727800 -19.8548 -61.0687 20.5668 -62.5376 57.8098 -26.9958 24.2695 -28.7038 30.8739 TIMING: 2727800 CPU: 8690.84, 0.00311371/step Wall: 8690.84, 0.00311371/step, 1.96527 hours remaining, 240.281250 MB of memory in use. ENERGY: 2727800 3937.8928 20525.9887 14521.9291 243.8722 -202752.0138 2346.6126 0.0000 0.0000 51936.0314 -109239.6870 298.4771 -161175.7184 -108868.5566 299.3830 -5.9976 21.3491 761817.8113 22.7812 22.9430 PRESSURE: 2728000 -122.898 -109.058 316.036 -109.058 -59.0359 -28.295 316.035 -28.2952 36.969 GPRESSURE: 2728000 -20.0696 -126.479 198.038 -133.207 -91.4454 16.5872 277.426 -96.6597 60.15 PRESSAVG: 2728000 21.6262 -70.0345 41.492 -70.0346 -45.7132 7.51453 41.492 7.5146 15.8615 GPRESSAVG: 2728000 22.7706 -70.3045 41.9327 -70.2825 -45.0487 8.29035 40.1899 8.50035 14.0484 TIMING: 2728000 CPU: 8691.47, 0.00312945/step Wall: 8691.47, 0.00312945/step, 1.97503 hours remaining, 240.281250 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: 2728000 4022.6179 20596.9029 14437.9081 237.6735 -202878.3178 2433.7502 0.0000 0.0000 51865.9653 -109283.5000 298.0744 -161149.4652 -108926.7314 299.0022 -48.3217 -17.1217 761923.7004 -2.7418 -2.7432 PRESSURE: 2728200 -197.932 -71.1191 205.012 -71.1187 -209.326 18.0738 205.012 18.074 -318.589 GPRESSURE: 2728200 -220.184 -47.4354 261.786 -95.6957 -114.832 2.79179 96.8421 58.4158 -333.887 PRESSAVG: 2728200 38.8989 -56.4061 74.9917 -56.4061 -3.82866 7.22509 74.9917 7.22499 14.9379 GPRESSAVG: 2728200 37.3241 -55.9183 77.3019 -56.1203 -2.80584 7.50253 72.3768 7.75439 14.9636 TIMING: 2728200 CPU: 8692.09, 0.00310603/step Wall: 8692.09, 0.00310603/step, 1.96008 hours remaining, 240.281250 MB of memory in use. ENERGY: 2728200 3993.6750 20571.4309 14577.2566 254.6711 -203197.7598 2375.8974 0.0000 0.0000 52152.9715 -109271.8575 299.7238 -161424.8290 -108909.8523 299.2600 -241.9488 -222.9673 762922.0858 16.6694 16.4940 LDB: ============= START OF LOAD BALANCING ============== 8704.54 LDB: ============== END OF LOAD BALANCING =============== 8704.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8704.54 LDB: ============= START OF LOAD BALANCING ============== 8704.85 LDB: Largest compute 7038 load 0.034615 is 17.7% of average load 0.195220 LDB: Average compute 0.004390 is 2.2% of average load 0.195220 LDB: TIME 8704.86 LOAD: AVG 0.19522 MAX 0.214601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.234 MB LDB: TIME 8704.86 LOAD: AVG 0.19522 MAX 0.214601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.438 MB LDB: TIME 8704.86 LOAD: AVG 0.19522 MAX 0.214601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.438 MB LDB: ============== END OF LOAD BALANCING =============== 8704.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8704.86 PRESSURE: 2728400 -91.1601 22.8369 -214.41 22.8364 -22.4044 -108.868 -214.41 -108.868 -231.019 GPRESSURE: 2728400 -46.9098 26.5774 -155.927 33.8442 -106.903 -91.9298 -146.478 -126.671 -102.273 PRESSAVG: 2728400 -2.32981 -0.660775 21.2721 -0.660752 27.7227 31.0708 21.2721 31.0708 4.90044 GPRESSAVG: 2728400 -3.02806 -2.36806 20.8867 1.56788 26.9195 32.5417 23.3263 30.6891 6.53984 TIMING: 2728400 CPU: 8692.73, 0.00318789/step Wall: 8692.73, 0.00318789/step, 2.01156 hours remaining, 242.066406 MB of memory in use. ENERGY: 2728400 3980.0241 20469.3515 14562.5193 227.2221 -203074.2094 2542.3704 0.0000 0.0000 51963.2827 -109329.4392 298.6337 -161292.7219 -108968.9936 299.3588 -114.8611 -85.3620 762441.0538 10.0978 10.1438 PRESSURE: 2728600 361.172 -123.185 48.8121 -123.185 134.008 243.915 48.812 243.916 98.3674 GPRESSURE: 2728600 414.198 -91.4726 18.9006 -57.1132 155.152 321.726 100.577 214.656 101.582 PRESSAVG: 2728600 35.9121 -12.2096 10.4776 -12.2096 -24.1441 37.3627 10.4775 37.3627 10.6799 GPRESSAVG: 2728600 37.5043 -11.3306 8.69295 -13.2015 -24.0895 36.5056 12.4813 36.1499 9.36538 TIMING: 2728600 CPU: 8693.35, 0.00313554/step Wall: 8693.35, 0.00313554/step, 1.97835 hours remaining, 242.066406 MB of memory in use. ENERGY: 2728600 3955.7020 20442.4204 14405.8611 249.8194 -203492.9068 2843.2301 0.0000 0.0000 52133.9449 -109461.9290 299.6145 -161595.8739 -109092.3764 299.2594 197.8492 223.6438 761595.9903 7.4826 7.5934 PRESSURE: 2728800 -146.471 71.3159 -76.664 71.3161 184.78 33.1436 -76.6642 33.1432 136.706 GPRESSURE: 2728800 -167.666 89.5449 -85.8071 67.3204 275.656 -0.422507 -164.215 57.5308 135.707 PRESSAVG: 2728800 4.02243 -70.9586 -27.2956 -70.9587 57.1982 -8.20411 -27.2956 -8.20411 -11.4053 GPRESSAVG: 2728800 2.40449 -69.8644 -26.9526 -71.7241 58.0507 -9.50899 -28.3945 -6.9504 -10.8312 TIMING: 2728800 CPU: 8693.98, 0.00311617/step Wall: 8693.98, 0.00311617/step, 1.96596 hours remaining, 242.066406 MB of memory in use. ENERGY: 2728800 3957.0492 20504.0051 14416.3767 253.7716 -203132.9572 2612.3742 0.0000 0.0000 52015.2826 -109374.0978 298.9325 -161389.3804 -109010.6910 299.1771 58.3384 81.2324 762192.0285 16.6051 16.5413 PRESSURE: 2729000 246.108 117.611 148.822 117.611 139.902 14.0078 148.821 14.0081 27.2564 GPRESSURE: 2729000 284.306 64.0566 159.424 127.869 145.933 81.6487 215.594 -26.9631 67.495 PRESSAVG: 2729000 -22.1565 -10.9562 -18.2522 -10.9563 30.1817 11.7008 -18.2522 11.7009 10.5877 GPRESSAVG: 2729000 -21.9023 -11.5142 -18.3762 -9.18458 30.5892 12.1445 -16.3236 10.6336 9.954 TIMING: 2729000 CPU: 8694.6, 0.00312958/step Wall: 8694.6, 0.00312958/step, 1.97424 hours remaining, 242.066406 MB of memory in use. ENERGY: 2729000 4031.1497 20536.3464 14521.6022 234.0564 -202921.1150 2519.0141 0.0000 0.0000 51851.2373 -109227.7090 297.9898 -161078.9463 -108874.4151 299.3758 137.7555 165.9112 760886.3569 6.2043 6.2137 PRESSURE: 2729200 -56.9659 32.866 43.5516 32.8663 -222.819 -103.493 43.5522 -103.492 -233.365 GPRESSURE: 2729200 -5.14901 101.48 -85.3321 52.7348 -161.269 -74.2103 92.6077 -162.596 -269.479 PRESSAVG: 2729200 5.29218 11.8894 1.70719 11.8894 -26.5153 12.5777 1.70719 12.5777 20.7573 GPRESSAVG: 2729200 4.58521 11.7123 2.43429 11.402 -26.8015 12.7491 -1.93881 12.4521 21.7172 TIMING: 2729200 CPU: 8695.23, 0.00312875/step Wall: 8695.23, 0.00312875/step, 1.97355 hours remaining, 242.066406 MB of memory in use. ENERGY: 2729200 3943.2725 20607.4080 14480.0482 225.6425 -203213.8171 2482.3862 0.0000 0.0000 52011.7470 -109463.3128 298.9122 -161475.0598 -109099.8177 299.0484 -171.0501 -145.2989 761452.6831 -0.1553 -0.1664 PRESSURE: 2729400 -179.181 -65.8039 87.0844 -65.8037 107.274 156.14 87.0849 156.14 94.0875 GPRESSURE: 2729400 -115.539 52.098 73.1902 -3.30089 160.833 159.847 136.619 163.145 48.8993 PRESSAVG: 2729400 -29.8868 -4.07554 27.1274 -4.07548 23.1903 20.451 27.1274 20.451 13.3527 GPRESSAVG: 2729400 -28.8586 -4.009 26.938 -3.9591 22.8504 19.9901 26.9752 21.0221 12.3112 TIMING: 2729400 CPU: 8695.85, 0.00310724/step Wall: 8695.85, 0.00310724/step, 1.95981 hours remaining, 242.066406 MB of memory in use. ENERGY: 2729400 3979.1911 20404.1479 14516.9308 222.8223 -203305.3075 2355.7548 0.0000 0.0000 52265.7308 -109560.7298 300.3719 -161826.4606 -109197.7872 298.9571 7.3934 31.3977 760152.6725 2.2187 2.1010 PRESSURE: 2729600 75.0554 -35.5606 -70.0371 -35.5605 -24.8495 -178.464 -70.0367 -178.464 -329.058 GPRESSURE: 2729600 8.30683 -133.253 -69.4507 -78.8643 80.4625 -134.965 -49.6249 -84.2446 -294.134 PRESSAVG: 2729600 -71.0005 0.512768 26.2705 0.512782 42.5417 5.22526 26.2705 5.22517 15.4021 GPRESSAVG: 2729600 -71.5688 2.33862 26.0863 -2.49194 42.7608 5.70555 26.555 5.71926 15.7592 TIMING: 2729600 CPU: 8696.47, 0.00311884/step Wall: 8696.47, 0.00311883/step, 1.96694 hours remaining, 242.066406 MB of memory in use. ENERGY: 2729600 4033.3259 20347.9836 14382.0781 230.4811 -203622.4167 2770.8652 0.0000 0.0000 52054.8464 -109802.8364 299.1599 -161857.6828 -109448.4793 298.6571 -92.9507 -68.4550 760181.5572 -4.3522 -4.3496 PRESSURE: 2729800 -13.33 76.5013 60.9688 76.5008 174.088 385.466 60.9688 385.465 182.197 GPRESSURE: 2729800 30.4397 12.8257 101.446 88.8192 200.694 319.045 80.236 355.14 178.253 PRESSAVG: 2729800 -34.4831 45.2785 -10.499 45.2784 28.869 3.15847 -10.499 3.15842 -9.49058 GPRESSAVG: 2729800 -34.1147 42.8632 -10.7445 46.8966 30.2925 3.10172 -8.80643 5.62351 -10.7272 TIMING: 2729800 CPU: 8697.1, 0.00312283/step Wall: 8697.1, 0.00312283/step, 1.96929 hours remaining, 242.066406 MB of memory in use. ENERGY: 2729800 3948.8674 20427.8564 14552.7163 242.5111 -203598.6789 2840.0549 0.0000 0.0000 52022.2506 -109564.4220 298.9726 -161586.6726 -109204.4268 298.5775 114.3185 136.4621 762018.5533 -5.0349 -4.8498 PRESSURE: 2730000 90.8288 81.0971 -62.5047 81.0967 14.3043 52.5949 -62.5055 52.5948 151.917 GPRESSURE: 2730000 129.461 103.815 -26.0227 75.5523 77.1988 106.468 -32.5906 49.99 145.307 PRESSAVG: 2730000 -41.2164 -34.495 -12.0118 -34.495 61.0378 -9.9606 -12.0118 -9.96053 13.3014 GPRESSAVG: 2730000 -40.7538 -33.0432 -10.6026 -34.647 59.0935 -10.5921 -14.0817 -11.5693 14.8053 TIMING: 2730000 CPU: 8697.73, 0.00313865/step Wall: 8697.73, 0.00313865/step, 1.97909 hours remaining, 242.066406 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: 2730000 3952.4210 20680.1648 14428.5687 237.1557 -203351.6260 2671.4658 0.0000 0.0000 51759.3334 -109622.5166 297.4616 -161381.8500 -109274.6218 298.1313 85.6834 117.3221 761501.0224 11.0409 11.0483 PRESSURE: 2730200 -62.9164 -102.496 128.018 -102.497 -109.118 54.0953 128.018 54.0954 21.3377 GPRESSURE: 2730200 12.3561 -20.5451 100.811 -103.462 -75.5754 63.7002 154.403 13.8 -13.3504 PRESSAVG: 2730200 -38.385 -84.4425 -33.4835 -84.4425 15.4234 -3.95906 -33.4834 -3.95912 30.5699 GPRESSAVG: 2730200 -39.2302 -85.2231 -32.9016 -82.798 16.0904 -3.23789 -32.6977 -5.91113 30.7275 TIMING: 2730200 CPU: 8698.35, 0.00309927/step Wall: 8698.35, 0.00309927/step, 1.95409 hours remaining, 242.066406 MB of memory in use. ENERGY: 2730200 3967.5339 20395.3854 14563.1072 251.6027 -203279.3208 2533.4233 0.0000 0.0000 52005.8972 -109562.3711 298.8786 -161568.2683 -109202.8080 298.3014 -50.2321 -25.5232 762038.1604 2.5361 2.5292 PRESSURE: 2730400 -192.836 -45.1266 -112.329 -45.1257 255.984 -7.0662 -112.33 -7.06616 -204.034 GPRESSURE: 2730400 -144.573 39.4353 -102.975 -89.1538 227.92 32.5375 -29.978 -64.5663 -125.802 PRESSAVG: 2730400 -46.3238 -28.3429 -3.26485 -28.3429 40.9604 -20.9989 -3.2649 -20.9989 -20.704 GPRESSAVG: 2730400 -44.9647 -27.8746 -3.52435 -29.7229 40.7141 -20.8889 -3.27508 -20.0335 -21.2759 TIMING: 2730400 CPU: 8698.97, 0.00310978/step Wall: 8698.97, 0.00310978/step, 1.96055 hours remaining, 242.066406 MB of memory in use. ENERGY: 2730400 3959.7966 20386.3047 14505.7725 250.8211 -203343.0189 2647.6357 0.0000 0.0000 52058.3879 -109534.3004 299.1803 -161592.6883 -109164.4146 298.8402 -46.9620 -14.1519 760336.0834 -8.6891 -8.5088 PRESSURE: 2730600 -48.7637 -5.69427 202.389 -5.69465 -150.215 -92.2733 202.389 -92.2735 -85.5951 GPRESSURE: 2730600 22.9397 -157.668 62.4781 -39.73 -222.806 -73.7268 171.585 -15.5627 -8.9808 PRESSAVG: 2730600 -29.69 -70.4348 14.8467 -70.4349 30.9182 -14.3326 14.8468 -14.3326 12.4013 GPRESSAVG: 2730600 -29.8643 -72.0966 12.5277 -70.8118 30.5702 -14.2949 15.3627 -11.1879 12.9992 TIMING: 2730600 CPU: 8699.59, 0.00311999/step Wall: 8699.59, 0.00311999/step, 1.96681 hours remaining, 242.066406 MB of memory in use. ENERGY: 2730600 4015.4078 20594.9300 14480.8449 247.4798 -203356.3321 2580.8799 0.0000 0.0000 52010.2580 -109426.5318 298.9037 -161436.7898 -109061.5689 299.0923 -94.8578 -69.6158 760403.4333 4.5432 4.5684 PRESSURE: 2730800 -0.833537 -136.313 -327.072 -136.313 231.839 168.681 -327.072 168.681 -114.732 GPRESSURE: 2730800 37.5094 -49.7735 -126.096 -127.547 324.274 255.733 -312.88 50.6299 -168.661 PRESSAVG: 2730800 1.43109 -66.4142 -1.44207 -66.4142 34.3913 40.067 -1.44212 40.067 8.08379 GPRESSAVG: 2730800 0.862228 -67.2551 1.35598 -63.5441 34.9135 38.8018 -2.27515 37.1563 8.23777 TIMING: 2730800 CPU: 8700.22, 0.00312503/step Wall: 8700.22, 0.00312503/step, 1.96981 hours remaining, 242.066406 MB of memory in use. ENERGY: 2730800 3923.6870 20412.8047 14534.8265 235.8313 -203290.8211 2518.4730 0.0000 0.0000 52097.0423 -109568.1561 299.4024 -161665.1984 -109208.6772 299.5693 38.7579 64.3744 758456.5095 14.6354 14.6712 PRESSURE: 2731000 -448.948 -41.4302 -47.2842 -41.4303 -436.824 189.173 -47.2836 189.173 -194.018 GPRESSURE: 2731000 -417.434 -41.9556 -88.1891 -35.0631 -338.655 141.065 -36.8889 228.168 -219.985 PRESSAVG: 2731000 -38.7394 -29.0347 -16.7917 -29.0347 35.8617 29.3871 -16.7918 29.3871 14.2611 GPRESSAVG: 2731000 -38.5224 -26.3225 -19.3905 -29.3181 36.0882 28.4079 -16.3592 30.1407 13.9479 TIMING: 2731000 CPU: 8700.84, 0.00312582/step Wall: 8700.84, 0.00312582/step, 1.97014 hours remaining, 242.066406 MB of memory in use. ENERGY: 2731000 3989.0343 20662.1411 14519.3643 255.2535 -203259.2611 2288.8734 0.0000 0.0000 51906.6075 -109637.9869 298.3080 -161544.5945 -109284.1729 298.9624 -359.9304 -325.3580 758968.4320 3.7945 3.8379 PRESSURE: 2731200 -108.707 -10.3021 -168.98 -10.3028 -94.2269 183.316 -168.979 183.317 -448.384 GPRESSURE: 2731200 -76.1632 -1.0484 -161.1 20.1105 -81.6741 207.08 -178.812 150.766 -427.96 PRESSAVG: 2731200 54.3002 -4.81268 -28.2761 -4.8127 -16.8092 39.8446 -28.276 39.8446 -22.854 GPRESSAVG: 2731200 55.2427 -4.94806 -26.8639 -6.12737 -16.8094 41.2848 -29.0978 37.3985 -23.0722 TIMING: 2731200 CPU: 8701.47, 0.00311421/step Wall: 8701.47, 0.00311421/step, 1.96264 hours remaining, 242.066406 MB of memory in use. ENERGY: 2731200 3983.0186 20675.5429 14543.8766 230.5758 -202948.6835 2215.5491 0.0000 0.0000 51664.5424 -109635.5781 296.9168 -161300.1205 -109271.7504 299.4391 -217.1058 -195.2658 760437.1678 4.8790 5.1203 PRESSURE: 2731400 -358.46 65.1424 48.0535 65.1418 -280.321 -168.469 48.054 -168.469 68.1618 GPRESSURE: 2731400 -342.252 -47.2382 -28.9958 69.9787 -179.003 -165.481 110.489 -180.998 37.7437 PRESSAVG: 2731400 -28.6874 -44.8359 21.4636 -44.8359 -6.23549 26.2406 21.4636 26.2406 -2.87876 GPRESSAVG: 2731400 -29.8011 -47.0415 19.2073 -43.3205 -6.16584 25.7441 22.8455 27.6743 -2.72712 TIMING: 2731400 CPU: 8702.09, 0.00311489/step Wall: 8702.09, 0.00311489/step, 1.9629 hours remaining, 242.066406 MB of memory in use. ENERGY: 2731400 3891.8983 20559.7167 14531.4665 259.7941 -203147.7976 2095.8895 0.0000 0.0000 52147.3619 -109661.6707 299.6916 -161809.0326 -109296.0697 298.8001 -190.2066 -161.1705 759578.0801 -12.6005 -12.8980 PRESSURE: 2731600 99.9182 -146.26 33.4092 -146.261 38.5275 173.979 33.4082 173.981 236.977 GPRESSURE: 2731600 215.549 -104.081 160.896 -120.408 -0.308493 151.568 -50.0951 179.056 249.778 PRESSAVG: 2731600 51.491 -42.1932 25.7353 -42.1932 8.77014 9.54737 25.7353 9.54744 -3.8071 GPRESSAVG: 2731600 51.7325 -39.5576 26.0667 -43.8121 8.84169 8.31531 25.0482 8.72898 -3.43838 TIMING: 2731600 CPU: 8702.72, 0.00314624/step Wall: 8702.72, 0.00314624/step, 1.98248 hours remaining, 242.066406 MB of memory in use. ENERGY: 2731600 4020.4594 20411.1186 14459.5146 245.5595 -203090.7269 2382.1288 0.0000 0.0000 51873.3025 -109698.6436 298.1166 -161571.9460 -109337.0368 298.6509 125.1407 155.0062 761011.1206 18.8180 19.0453 PRESSURE: 2731800 151.205 60.6662 64.41 60.6663 261.164 182.495 64.4109 182.494 144.502 GPRESSURE: 2731800 175.954 32.9521 125.825 192.97 241.431 153.625 -47.4511 188.063 210.311 PRESSAVG: 2731800 18.806 12.4557 -42.3679 12.4557 -10.5342 12.1043 -42.3679 12.1043 0.698392 GPRESSAVG: 2731800 19.8452 11.6482 -42.2153 12.8781 -11.749 10.5605 -41.8329 13.874 0.569735 TIMING: 2731800 CPU: 8703.34, 0.00311061/step Wall: 8703.34, 0.00311061/step, 1.95986 hours remaining, 242.066406 MB of memory in use. ENERGY: 2731800 3976.2124 20534.1159 14408.6766 243.3345 -203452.8413 2640.9451 0.0000 0.0000 51925.5900 -109723.9667 298.4171 -161649.5567 -109361.1022 298.4682 185.6238 209.2320 760324.9059 2.9901 2.8886 PRESSURE: 2732000 29.4029 -59.3888 -81.7925 -59.3894 -271.435 -25.1457 -81.7922 -25.1452 -174.105 GPRESSURE: 2732000 49.9085 -67.1422 -10.0194 -19.2862 -143.574 9.16595 50.6992 -23.5876 -233.146 PRESSAVG: 2732000 5.86543 15.0175 -4.56223 15.0175 -13.1857 -52.8833 -4.56218 -52.8833 -3.31259 GPRESSAVG: 2732000 6.06351 13.7815 -4.04602 14.009 -13.4577 -50.5041 -5.06792 -52.4157 -3.53285 TIMING: 2732000 CPU: 8703.96, 0.00312112/step Wall: 8703.96, 0.00312112/step, 1.9663 hours remaining, 242.066406 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: 2732000 3994.4520 20548.7864 14455.7039 250.3531 -203058.8911 2284.7780 0.0000 0.0000 52084.0856 -109440.7321 299.3280 -161524.8177 -109080.2852 298.7819 -138.7123 -108.9372 761017.4911 -3.5443 -3.6424 PRESSURE: 2732200 -52.9086 -16.6555 -166.479 -16.6548 -89.5994 -247.193 -166.479 -247.192 -308.317 GPRESSURE: 2732200 63.5458 15.516 -142.51 -106.9 -116.173 -239.381 -234.978 -117.667 -303.496 PRESSAVG: 2732200 -5.34991 52.389 3.03039 52.3891 12.8209 11.2578 3.03039 11.2578 4.13546 GPRESSAVG: 2732200 -6.03547 51.6941 3.3951 52.5304 12.6624 10.7333 2.92389 11.3096 5.096 TIMING: 2732200 CPU: 8704.59, 0.00312647/step Wall: 8704.59, 0.00312647/step, 1.9695 hours remaining, 242.066406 MB of memory in use. ENERGY: 2732200 4062.1667 20558.2479 14492.9282 269.4700 -203389.4978 2362.2862 0.0000 0.0000 52161.8333 -109482.5656 299.7748 -161644.3989 -109126.2365 299.0868 -150.2749 -118.7079 761216.5767 3.8688 3.9076 LDB: ============= START OF LOAD BALANCING ============== 8717.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8717.04 LDB: =============== DONE WITH MIGRATION ================ 8717.04 LDB: ============= START OF LOAD BALANCING ============== 8717.35 LDB: Largest compute 7070 load 0.036247 is 18.6% of average load 0.195184 LDB: Average compute 0.004395 is 2.3% of average load 0.195184 LDB: TIME 8717.35 LOAD: AVG 0.195184 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.18 MB LDB: TIME 8717.36 LOAD: AVG 0.195184 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.18 MB LDB: TIME 8717.36 LOAD: AVG 0.195184 MAX 0.214925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.18 MB LDB: ============== END OF LOAD BALANCING =============== 8717.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8717.36 PRESSURE: 2732400 -112.885 -90.5296 -80.6235 -90.5294 29.526 13.769 -80.6232 13.7697 -244.416 GPRESSURE: 2732400 -68.1684 -59.6199 -44.0915 -162.692 37.1197 31.3004 -77.6553 -120.828 -219.396 PRESSAVG: 2732400 -38.166 -21.1978 -17.079 -21.1979 8.57519 68.291 -17.079 68.2911 -3.61779 GPRESSAVG: 2732400 -38.1854 -20.5858 -17.3598 -19.304 9.00442 68.0345 -16.6551 68.291 -4.24109 TIMING: 2732400 CPU: 8705.23, 0.00318614/step Wall: 8705.23, 0.00318614/step, 2.00691 hours remaining, 240.597656 MB of memory in use. ENERGY: 2732400 3964.7857 20522.2197 14468.0408 259.9601 -203566.7442 2804.9010 0.0000 0.0000 52078.4844 -109468.3524 299.2958 -161546.8368 -109106.3205 299.0304 -109.2583 -83.4816 762999.9896 -11.0695 -11.1407 PRESSURE: 2732600 206.731 115.482 -180.716 115.482 -180.164 -195.284 -180.716 -195.283 -129.495 GPRESSURE: 2732600 186.249 116.47 -106.378 144.517 -95.9503 -124.002 -174.603 -95.6843 -120.67 PRESSAVG: 2732600 8.43413 50.3628 -16.3921 50.3627 -17.1236 -5.9529 -16.3921 -5.95282 -10.012 GPRESSAVG: 2732600 8.11403 50.9934 -15.3911 48.9685 -15.9892 -5.29529 -17.086 -5.56488 -10.6553 TIMING: 2732600 CPU: 8705.85, 0.00312363/step Wall: 8705.85, 0.00312363/step, 1.96737 hours remaining, 240.800781 MB of memory in use. ENERGY: 2732600 3888.2884 20533.3014 14486.5087 243.6480 -203839.3501 2827.7586 0.0000 0.0000 52263.6661 -109596.1788 300.3600 -161859.8449 -109224.0024 298.8078 -34.3095 -10.1236 762239.8357 -6.2338 -6.1768 PRESSURE: 2732800 264.596 -29.0898 30.4296 -29.0897 -180.585 27.2312 30.4294 27.2312 76.9465 GPRESSURE: 2732800 252.489 -26.6596 -76.4069 -213.631 -64.3199 -96.3901 7.10064 -9.85899 41.9102 PRESSAVG: 2732800 -53.8324 9.50204 -24.2783 9.502 48.5112 36.4059 -24.2783 36.406 -26.207 GPRESSAVG: 2732800 -54.0872 7.72972 -25.123 10.0661 47.931 36.2991 -25.0543 35.2854 -25.4125 TIMING: 2732800 CPU: 8706.48, 0.00312178/step Wall: 8706.48, 0.00312178/step, 1.96603 hours remaining, 240.800781 MB of memory in use. ENERGY: 2732800 3920.9962 20652.4450 14503.1522 240.3797 -203934.7653 2743.1041 0.0000 0.0000 52147.9942 -109726.6938 299.6952 -161874.6880 -109360.6298 298.6616 53.6526 76.6930 761033.4768 -10.5094 -10.5229 PRESSURE: 2733000 144.539 -114.046 -91.0986 -114.047 67.1306 -361.178 -91.0985 -361.179 6.53341 GPRESSURE: 2733000 66.1213 -97.0235 -163.861 -79.4474 200.282 -412.153 -128.488 -249.116 31.5429 PRESSAVG: 2733000 -31.1147 -3.10145 -40.5236 -3.10148 35.4003 22.4805 -40.5237 22.4805 0.529103 GPRESSAVG: 2733000 -32.1552 -1.10609 -41.7541 -2.81727 36.5358 21.4712 -40.1614 23.6585 0.590974 TIMING: 2733000 CPU: 8707.1, 0.00311803/step Wall: 8707.1, 0.00311803/step, 1.96349 hours remaining, 240.800781 MB of memory in use. ENERGY: 2733000 4065.2684 20385.1952 14591.1348 264.9314 -203629.2073 2563.7451 0.0000 0.0000 52064.5672 -109694.3653 299.2158 -161758.9325 -109333.1941 298.3184 72.7342 99.3154 761387.0059 1.6049 1.6572 PRESSURE: 2733200 -100.494 -47.1673 101.201 -47.1667 -302.251 -95.3273 101.201 -95.3265 117.913 GPRESSURE: 2733200 -117.949 -25.9483 160.89 -73.3943 -255.422 7.43259 159.608 -42.254 172.002 PRESSAVG: 2733200 4.46543 2.33549 -5.13589 2.33549 -7.89136 21.9808 -5.13587 21.9809 -1.3474 GPRESSAVG: 2733200 5.83564 3.08574 -4.27666 2.11065 -8.86544 24.1075 -2.15934 21.1304 -1.51354 TIMING: 2733200 CPU: 8707.73, 0.00313546/step Wall: 8707.73, 0.00313546/step, 1.97429 hours remaining, 240.800781 MB of memory in use. ENERGY: 2733200 4004.1368 20481.8905 14493.5051 252.9616 -203097.0236 2310.8224 0.0000 0.0000 51961.0128 -109592.6942 298.6207 -161553.7070 -109221.6398 298.9618 -94.9437 -67.1229 761753.4930 -1.5911 -1.5144 PRESSURE: 2733400 -42.3986 172.218 -191.757 172.218 93.9427 -2.47779 -191.759 -2.47759 -293.762 GPRESSURE: 2733400 34.3931 114.722 -168.674 184.627 86.918 12.436 -58.6906 56.936 -282.135 PRESSAVG: 2733400 -37.6048 25.8394 -36.2396 25.8394 20.3407 6.05883 -36.2395 6.05876 0.766993 GPRESSAVG: 2733400 -37.6297 24.2503 -35.7933 25.4755 19.8884 6.05608 -37.3267 6.90559 0.809423 TIMING: 2733400 CPU: 8708.35, 0.00313213/step Wall: 8708.35, 0.00313213/step, 1.97202 hours remaining, 240.800781 MB of memory in use. ENERGY: 2733400 3947.4121 20440.7061 14499.5819 264.4753 -203709.9805 2758.4340 0.0000 0.0000 52001.5452 -109797.8258 298.8536 -161799.3711 -109436.7814 299.0888 -80.7394 -53.6081 761941.4623 -5.4990 -5.6439 PRESSURE: 2733600 -31.2825 -12.8319 -184.434 -12.8328 -168.995 -105.564 -184.434 -105.563 251.918 GPRESSURE: 2733600 -31.4761 -70.0649 -212.34 -16.5043 -23.2144 -180.943 -190.44 -45.6195 189.275 PRESSAVG: 2733600 -4.73512 -41.3947 -35.495 -41.3947 27.4733 -7.77071 -35.4951 -7.77065 -24.8612 GPRESSAVG: 2733600 -5.03662 -42.5071 -35.8604 -41.9264 27.592 -8.69124 -33.0983 -8.02991 -24.576 TIMING: 2733600 CPU: 8708.98, 0.00314396/step Wall: 8708.98, 0.00314396/step, 1.9793 hours remaining, 240.800781 MB of memory in use. ENERGY: 2733600 3912.4284 20428.7585 14510.9825 272.6425 -203470.2671 2688.7900 0.0000 0.0000 52025.3661 -109631.2990 298.9905 -161656.6651 -109271.6490 298.8620 17.2135 44.8616 762228.7510 -0.7077 -0.6735 PRESSURE: 2733800 -190.577 -144.871 -42.3939 -144.87 45.8686 127.037 -42.3946 127.037 -103.995 GPRESSURE: 2733800 -261.22 -49.7626 -53.5139 -56.5372 90.814 72.8866 -10.6712 297.575 -8.16659 PRESSAVG: 2733800 19.4451 -3.26231 -43.2783 -3.26231 -51.4407 20.6477 -43.2783 20.6477 -13.7704 GPRESSAVG: 2733800 19.4575 -2.05871 -44.2584 -2.71866 -51.2292 20.5096 -45.7413 19.7559 -14.0713 TIMING: 2733800 CPU: 8709.61, 0.00314876/step Wall: 8709.61, 0.00314876/step, 1.98214 hours remaining, 240.800781 MB of memory in use. ENERGY: 2733800 4022.2298 20449.7955 14471.1459 250.9857 -203701.6034 2708.9180 0.0000 0.0000 52074.1209 -109724.4075 299.2707 -161798.5284 -109362.0672 298.2942 -82.9012 -59.5241 760912.0692 -15.2553 -15.2810 PRESSURE: 2734000 141.999 -106.013 109.533 -106.014 77.7264 349.352 109.532 349.353 218.36 GPRESSURE: 2734000 175.716 -28.4792 104.023 -204.014 118.542 350.511 135.704 346.236 232.378 PRESSAVG: 2734000 -21.3708 -0.927013 -17.7312 -0.927035 64.3584 56.7705 -17.7313 56.7705 -10.8952 GPRESSAVG: 2734000 -22.3602 -2.774 -15.7487 0.671504 64.6601 57.0542 -19.1025 58.6111 -10.3133 TIMING: 2734000 CPU: 8710.24, 0.00313851/step Wall: 8710.24, 0.00313851/step, 1.97552 hours remaining, 240.800781 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: 2734000 3924.8537 20416.0890 14467.7574 267.5548 -203483.2945 2449.5363 0.0000 0.0000 52429.1955 -109528.3078 301.3113 -161957.5033 -109156.2013 298.8439 146.0283 175.5454 760852.5515 10.6975 10.6622 PRESSURE: 2734200 43.5025 35.8903 -103.694 35.8906 -75.9105 -42.5887 -103.694 -42.5889 -300.142 GPRESSURE: 2734200 23.3012 50.5624 -156.238 67.4268 -54.6163 -155.471 -252.406 -33.157 -230.849 PRESSAVG: 2734200 -39.5733 8.26789 -38.7287 8.2679 31.2552 -32.1501 -38.7287 -32.1502 -6.37662 GPRESSAVG: 2734200 -38.825 10.7941 -39.0395 5.50203 29.9299 -33.2047 -39.6676 -33.8896 -5.48042 TIMING: 2734200 CPU: 8710.86, 0.00311059/step Wall: 8710.86, 0.00311059/step, 1.95777 hours remaining, 240.800781 MB of memory in use. ENERGY: 2734200 3978.5471 20545.6575 14499.1625 231.0254 -203311.2617 2105.4858 0.0000 0.0000 52194.2348 -109757.1487 299.9610 -161951.3834 -109398.3207 298.9043 -110.8500 -87.3879 759445.1288 -4.8982 -4.7919 PRESSURE: 2734400 -0.92264 7.72642 139.56 7.72672 359.705 44.741 139.56 44.7407 -131.919 GPRESSURE: 2734400 69.8429 -32.0359 139.342 77.3019 384.651 21.8769 170.264 -52.318 -175.652 PRESSAVG: 2734400 -28.2551 0.112121 -18.2402 0.112006 66.9501 -2.4237 -18.2402 -2.42375 -6.66488 GPRESSAVG: 2734400 -28.1269 -0.181518 -19.6241 4.35495 67.9465 -1.28734 -16.0496 -4.0925 -8.51907 TIMING: 2734400 CPU: 8711.48, 0.00311642/step Wall: 8711.48, 0.00311642/step, 1.96127 hours remaining, 240.800781 MB of memory in use. ENERGY: 2734400 3966.1457 20298.3165 14410.0730 244.4670 -203442.0854 2411.8401 0.0000 0.0000 52281.9198 -109829.3234 300.4649 -162111.2432 -109468.7898 298.4771 75.6214 92.9474 757547.8328 10.6767 10.4335 PRESSURE: 2734600 63.765 47.8295 -108.406 47.829 147.816 15.1021 -108.406 15.102 434.47 GPRESSURE: 2734600 99.8509 -77.6514 -185.105 -50.8885 178.359 34.8007 -21.7426 44.1406 456.638 PRESSAVG: 2734600 -39.6616 -25.6176 3.19809 -25.6176 58.1213 8.44484 3.19809 8.44492 -12.538 GPRESSAVG: 2734600 -39.4959 -26.2631 3.98883 -28.048 58.3254 8.50899 3.28656 12.9863 -12.8145 TIMING: 2734600 CPU: 8712.11, 0.00313399/step Wall: 8712.11, 0.00313399/step, 1.97215 hours remaining, 240.800781 MB of memory in use. ENERGY: 2734600 3876.1999 20416.5004 14370.2764 249.3321 -203661.7423 2779.7887 0.0000 0.0000 52099.0648 -109870.5801 299.4140 -161969.6449 -109503.7926 298.8440 215.3502 244.9492 759229.4722 1.9739 2.0050 PRESSURE: 2734800 -63.5519 106.533 271.658 106.534 -108.968 -84.7701 271.659 -84.7698 134.56 GPRESSURE: 2734800 -28.8587 68.0013 308.054 14.9264 -105.55 -131.065 247.191 -94.3434 181.013 PRESSAVG: 2734800 -16.229 -57.7606 -18.0916 -57.7606 1.7251 12.6519 -18.0917 12.6519 18.5035 GPRESSAVG: 2734800 -16.916 -55.9606 -17.739 -58.8088 1.62448 10.822 -17.4458 11.4694 19.0751 TIMING: 2734800 CPU: 8712.74, 0.00312355/step Wall: 8712.74, 0.00312355/step, 1.96541 hours remaining, 240.800781 MB of memory in use. ENERGY: 2734800 3972.2274 20668.6355 14431.6553 270.9743 -203551.4405 2473.7509 0.0000 0.0000 51932.1124 -109802.0847 298.4546 -161734.1971 -109436.1710 298.5971 -12.6533 15.5350 759189.9218 1.3332 1.2612 PRESSURE: 2735000 -237.715 -192.586 171.655 -192.585 -343.027 0.0159519 171.656 0.016074 -173.699 GPRESSURE: 2735000 -154.211 -91.7872 74.4567 -108.112 -302.021 -60.3465 132.782 -27.2664 -232.859 PRESSAVG: 2735000 49.2534 -39.721 -13.5798 -39.7211 3.91116 -6.11826 -13.5798 -6.11818 1.61113 GPRESSAVG: 2735000 49.132 -39.1662 -13.5566 -38.1051 4.71645 -5.48817 -15.7979 -7.24606 0.608404 TIMING: 2735000 CPU: 8713.36, 0.00312408/step Wall: 8713.36, 0.00312408/step, 1.96557 hours remaining, 240.800781 MB of memory in use. ENERGY: 2735000 3980.1283 20388.0608 14520.4684 231.9277 -203341.4964 2318.4603 0.0000 0.0000 51950.4680 -109951.9830 298.5601 -161902.4510 -109583.7732 298.2707 -251.4804 -229.6971 759355.3310 18.2586 18.1523 PRESSURE: 2735200 -79.4304 -44.9822 129.505 -44.9806 -293.776 -167.284 129.506 -167.284 395.731 GPRESSURE: 2735200 -64.3801 61.4075 177.865 -36.0012 -172.207 -137.59 67.227 -80.3916 343.498 PRESSAVG: 2735200 98.4843 -50.1697 -2.78987 -50.1697 -97.1832 -16.1506 -2.78988 -16.1507 -20.1029 GPRESSAVG: 2735200 98.2719 -51.1465 -3.12877 -50.4265 -98.4924 -15.553 -3.18517 -17.1272 -17.8743 TIMING: 2735200 CPU: 8713.99, 0.0031295/step Wall: 8713.99, 0.0031295/step, 1.96881 hours remaining, 240.800781 MB of memory in use. ENERGY: 2735200 3959.2811 20358.0822 14490.2371 273.6391 -203569.7155 2474.9078 0.0000 0.0000 51954.9884 -110058.5798 298.5860 -162013.5682 -109709.6120 298.0280 7.5082 35.6369 761197.1164 -6.2673 -6.0316 PRESSURE: 2735400 -90.6082 -94.6386 -127.597 -94.6385 -210.371 5.92697 -127.597 5.92778 500.931 GPRESSURE: 2735400 -93.3135 -41.0907 -58.7072 -76.7844 -91.3826 35.868 -7.25696 63.9061 469.158 PRESSAVG: 2735400 -3.03159 -43.7706 36.1965 -43.7705 -7.60021 19.0952 36.1964 19.0951 15.156 GPRESSAVG: 2735400 -2.1706 -44.4586 34.765 -42.886 -7.75021 18.7591 39.3338 20.2899 14.6426 TIMING: 2735400 CPU: 8714.61, 0.00311363/step Wall: 8714.61, 0.00311363/step, 1.95864 hours remaining, 240.800781 MB of memory in use. ENERGY: 2735400 3922.3696 20412.8359 14525.4943 248.0070 -203214.3224 2307.3867 0.0000 0.0000 51808.8955 -109989.3334 297.7464 -161798.2289 -109634.6728 297.8381 66.6505 94.8205 759117.3686 1.5081 1.5739 PRESSURE: 2735600 -65.5308 26.7445 136.183 26.7447 50.1462 -241.959 136.183 -241.958 -225.015 GPRESSURE: 2735600 -12.9096 -108.482 236.257 -12.8781 4.69594 -336.607 15.2533 -223.332 -147.617 PRESSAVG: 2735600 -88.9847 -57.9116 -50.3594 -57.9116 75.4284 62.2339 -50.3594 62.2339 7.3286 GPRESSAVG: 2735600 -89.3322 -55.84 -48.9738 -60.8247 76.5472 62.4518 -52.3534 62.9845 6.80646 TIMING: 2735600 CPU: 8715.23, 0.00311596/step Wall: 8715.23, 0.00311596/step, 1.95994 hours remaining, 240.800781 MB of memory in use. ENERGY: 2735600 3990.2792 20497.9351 14479.2150 243.6512 -203285.8480 2417.5799 0.0000 0.0000 51826.1530 -109831.0346 297.8456 -161657.1876 -109470.7085 298.5625 -80.1331 -51.9435 761125.8443 -2.0759 -1.9928 PRESSURE: 2735800 -151.255 -158.28 156.068 -158.28 -77.7457 48.2017 156.069 48.2009 -289.643 GPRESSURE: 2735800 -45.4654 -167.957 110.251 -217.567 -75.7752 52.9582 180.411 25.6951 -296.647 PRESSAVG: 2735800 -7.04351 -1.93763 31.8927 -1.93766 40.1788 34.4886 31.8926 34.4886 26.4048 GPRESSAVG: 2735800 -5.42978 -3.7514 32.4013 0.304608 39.8574 34.573 32.9953 33.7028 25.2135 TIMING: 2735800 CPU: 8715.86, 0.00311687/step Wall: 8715.86, 0.00311687/step, 1.96034 hours remaining, 240.800781 MB of memory in use. ENERGY: 2735800 3982.6862 20446.9007 14482.6390 242.0994 -203679.8163 2622.6397 0.0000 0.0000 51997.2679 -109905.5834 298.8290 -161902.8512 -109537.3472 298.8054 -172.8810 -139.2959 759815.9395 19.8467 19.8804 PRESSURE: 2736000 -66.613 -113.825 -116.83 -113.825 138.02 74.1691 -116.829 74.169 17.0029 GPRESSURE: 2736000 -23.7264 67.1132 -52.6806 -112.812 107.712 55.5666 -45.4132 114.56 70.756 PRESSAVG: 2736000 -29.7273 -74.2434 14.4344 -74.2434 51.9672 16.576 14.4344 16.576 1.6952 GPRESSAVG: 2736000 -31.3916 -70.9794 14.9195 -74.9085 51.9472 16.6376 13.493 18.2669 3.10094 TIMING: 2736000 CPU: 8716.48, 0.00312648/step Wall: 8716.48, 0.00312648/step, 1.96621 hours remaining, 240.800781 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: 2736000 3968.3042 20522.9092 14498.1984 235.4795 -203817.8414 2693.2951 0.0000 0.0000 52187.9024 -109711.7526 299.9246 -161899.6549 -109352.2349 299.2712 29.4699 51.5805 758671.6113 7.9783 7.8855 PRESSURE: 2736200 -252.271 -54.833 157.672 -54.8329 130.476 -126.552 157.672 -126.55 47.3167 GPRESSURE: 2736200 -194.419 -14.7572 173.117 122.316 124.989 -112.664 134.072 -154.867 88.2417 PRESSAVG: 2736200 -29.6154 -8.92364 28.4011 -8.92371 8.78545 16.7655 28.401 16.7654 13.3275 GPRESSAVG: 2736200 -28.9035 -12.8502 26.0833 -7.03928 8.37302 16.5976 29.8061 15.9474 12.8304 TIMING: 2736200 CPU: 8717.1, 0.00309984/step Wall: 8717.1, 0.00309984/step, 1.94928 hours remaining, 240.800781 MB of memory in use. ENERGY: 2736200 3959.6178 20467.6252 14396.1158 236.8197 -203287.6012 2422.0975 0.0000 0.0000 51931.7134 -109873.6117 298.4523 -161805.3251 -109504.5196 298.9379 -24.8261 6.2709 759722.5404 -2.5008 -2.5667 LDB: ============= START OF LOAD BALANCING ============== 8729.55 LDB: ============== END OF LOAD BALANCING =============== 8729.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8729.55 LDB: ============= START OF LOAD BALANCING ============== 8729.86 LDB: Largest compute 7031 load 0.034357 is 17.6% of average load 0.195327 LDB: Average compute 0.004383 is 2.2% of average load 0.195327 LDB: TIME 8729.87 LOAD: AVG 0.195327 MAX 0.214235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 8729.87 LOAD: AVG 0.195327 MAX 0.214235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: TIME 8729.87 LOAD: AVG 0.195327 MAX 0.214235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: ============== END OF LOAD BALANCING =============== 8729.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8729.87 PRESSURE: 2736400 -126.576 37.2331 49.6034 37.2334 -139.117 -121.046 49.6026 -121.046 -301.581 GPRESSURE: 2736400 -49.6717 9.27226 -44.6525 137.599 -168.947 -196.092 4.00185 -166.518 -267.679 PRESSAVG: 2736400 1.12917 -12.3229 7.54554 -12.3229 50.2485 32.0951 7.54551 32.095 11.7429 GPRESSAVG: 2736400 1.75192 -12.4122 8.11337 -12.0618 48.2855 31.2324 8.93708 31.3525 13.7226 TIMING: 2736400 CPU: 8717.74, 0.0031872/step Wall: 8717.74, 0.0031872/step, 2.00404 hours remaining, 239.324219 MB of memory in use. ENERGY: 2736400 3958.7879 20504.0701 14454.5849 277.3797 -203384.8077 2332.3277 0.0000 0.0000 51888.2588 -109969.3987 298.2025 -161857.6574 -109626.3855 298.2981 -189.0915 -162.0992 761201.8446 21.0402 21.2533 PRESSURE: 2736600 -139.76 -87.7185 146.911 -87.7185 -162.04 -51.3037 146.911 -51.3033 -5.99803 GPRESSURE: 2736600 -114.425 -37.08 262.446 -217.164 -125.838 -17.7898 165.945 18.3991 1.16044 PRESSAVG: 2736600 -50.1989 -29.6207 1.49605 -29.6207 47.6072 12.226 1.49603 12.226 -10.0802 GPRESSAVG: 2736600 -50.6451 -27.8411 4.28666 -32.1364 49.7433 14.0504 -3.35792 12.5277 -11.7467 TIMING: 2736600 CPU: 8718.36, 0.00312549/step Wall: 8718.36, 0.00312549/step, 1.96506 hours remaining, 239.324219 MB of memory in use. ENERGY: 2736600 3978.6180 20446.8600 14473.2578 246.5509 -203019.7590 2208.2941 0.0000 0.0000 51862.2432 -109803.9351 298.0530 -161666.1783 -109436.0055 298.6676 -102.5991 -79.7009 760215.3246 -4.2240 -4.2162 PRESSURE: 2736800 -305.065 -53.5249 -10.93 -53.526 47.1854 -9.11553 -10.9301 -9.11657 77.8552 GPRESSURE: 2736800 -161.475 2.83438 -29.6644 -8.14197 38.2931 -47.6157 -55.5875 28.595 33.8044 PRESSAVG: 2736800 -24.7973 -25.5018 31.5302 -25.5018 82.5681 -17.8168 31.5302 -17.8167 -6.90974 GPRESSAVG: 2736800 -24.8516 -24.4762 29.8066 -25.3561 81.6874 -19.2007 33.3235 -16.842 -5.441 TIMING: 2736800 CPU: 8718.99, 0.00311224/step Wall: 8718.99, 0.00311223/step, 1.95656 hours remaining, 239.324219 MB of memory in use. ENERGY: 2736800 3897.3774 20468.6650 14512.0609 241.3136 -203362.9274 2434.1021 0.0000 0.0000 52216.4919 -109592.9164 300.0889 -161809.4083 -109222.5617 298.7399 -60.0081 -29.7926 760408.9746 16.9537 17.1316 PRESSURE: 2737000 -144.335 158.446 -3.13895 158.446 67.2204 85.866 -3.13806 85.8668 227.225 GPRESSURE: 2737000 -88.3808 58.0247 13.0761 174.165 79.5222 157.765 -9.27044 168.536 241.116 PRESSAVG: 2737000 31.3741 8.18456 -17.6701 8.18454 39.1413 -35.7546 -17.6701 -35.7545 -11.4278 GPRESSAVG: 2737000 31.1522 7.83352 -18.5565 7.96761 40.0448 -35.5224 -19.2246 -37.3411 -12.169 TIMING: 2737000 CPU: 8719.61, 0.00311864/step Wall: 8719.61, 0.00311864/step, 1.96041 hours remaining, 239.324219 MB of memory in use. ENERGY: 2737000 3981.4291 20527.0348 14530.7553 253.7313 -203510.0934 2704.6621 0.0000 0.0000 51863.2333 -109649.2476 298.0587 -161512.4809 -109289.0365 299.2079 50.0367 77.4192 761267.3297 19.6959 19.6760 PRESSURE: 2737200 -520.2 -41.8898 -51.1272 -41.89 28.925 259.806 -51.1264 259.806 132.153 GPRESSURE: 2737200 -350.409 -52.0706 -24.3824 -42.8543 -29.5479 295.751 39.4922 169.288 102.719 PRESSAVG: 2737200 0.246344 -10.3983 -33.5787 -10.3983 15.9331 30.5406 -33.5787 30.5406 -13.6141 GPRESSAVG: 2737200 0.263974 -12.2357 -34.4222 -9.25137 16.6635 30.9203 -31.694 30.9267 -14.831 TIMING: 2737200 CPU: 8720.24, 0.00312885/step Wall: 8720.24, 0.00312885/step, 1.96665 hours remaining, 239.324219 MB of memory in use. ENERGY: 2737200 3966.8758 20424.0843 14493.3765 252.1337 -203421.2155 2641.2379 0.0000 0.0000 51882.0481 -109761.4591 298.1668 -161643.5072 -109393.6167 298.5619 -119.7071 -92.4128 762242.5847 0.8551 0.6988 PRESSURE: 2737400 -136.083 -79.4879 -178.19 -79.4881 238.747 -93.1254 -178.191 -93.125 -158.784 GPRESSURE: 2737400 -53.7843 -10.1515 -156.434 -50.2682 213.757 -51.0807 -71.7249 -80.5897 -143.576 PRESSAVG: 2737400 -8.54256 -5.53995 3.24292 -5.53994 -14.5803 18.1888 3.24291 18.1888 -14.5559 GPRESSAVG: 2737400 -8.23089 -4.26101 2.11859 -6.04043 -14.7852 17.127 3.78093 19.8191 -14.5762 TIMING: 2737400 CPU: 8720.86, 0.00313254/step Wall: 8720.86, 0.00313254/step, 1.9688 hours remaining, 239.324219 MB of memory in use. ENERGY: 2737400 3922.6721 20617.4097 14463.0436 241.5486 -203687.8117 2800.3030 0.0000 0.0000 51984.8851 -109657.9496 298.7578 -161642.8347 -109291.2801 298.7302 -18.7068 5.4654 761265.3660 -12.5596 -12.5308 PRESSURE: 2737600 322.532 29.863 132.764 29.8621 205.795 19.5172 132.764 19.5165 352.343 GPRESSURE: 2737600 365.176 99.3916 65.8506 -22.6628 268.729 50.7908 228.035 78.0012 326.366 PRESSAVG: 2737600 -14.4589 -4.69831 6.39538 -4.6983 32.6453 -36.3928 6.39531 -36.3928 12.8541 GPRESSAVG: 2737600 -15.5793 -3.3401 7.80755 -4.57366 32.5934 -34.8986 6.88488 -36.9745 14.1485 TIMING: 2737600 CPU: 8721.49, 0.00313447/step Wall: 8721.49, 0.00313447/step, 1.96984 hours remaining, 239.324219 MB of memory in use. ENERGY: 2737600 4015.7521 20598.1192 14530.8601 240.3175 -203526.3222 2794.3771 0.0000 0.0000 52055.6230 -109291.2732 299.1644 -161346.8963 -108924.5117 299.3949 293.5568 320.0901 759926.1054 10.3469 10.3875 PRESSURE: 2737800 -67.1422 94.4523 57.2867 94.4514 188.012 -185.398 57.2875 -185.397 83.2904 GPRESSURE: 2737800 0.715813 197.583 127.014 66.7065 191.229 -194.024 -43.9964 -116.507 108.862 PRESSAVG: 2737800 0.153352 -17.1991 12.7765 -17.1991 1.44006 8.39597 12.7766 8.39599 -18.9779 GPRESSAVG: 2737800 -0.0102094 -19.666 12.393 -18.0282 1.32245 6.8918 11.1864 8.38593 -18.1091 TIMING: 2737800 CPU: 8722.12, 0.00313122/step Wall: 8722.12, 0.00313122/step, 1.96762 hours remaining, 239.324219 MB of memory in use. ENERGY: 2737800 3954.8848 20535.2888 14525.1393 237.1564 -203711.9314 2702.6854 0.0000 0.0000 52243.4976 -109513.2790 300.2441 -161756.7766 -109143.5064 299.4116 68.0535 100.2689 760726.8690 -5.7948 -5.5989 PRESSURE: 2738000 190.51 -254.716 13.919 -254.715 -182.874 -56.1976 13.9193 -56.1986 67.7247 GPRESSURE: 2738000 94.7845 -141.627 2.0805 -136.901 -121.978 -50.9881 111.865 -11.7318 181.24 PRESSAVG: 2738000 33.609 -42.4879 13.7793 -42.4879 -15.1607 -51.2711 13.7793 -51.2712 5.09205 GPRESSAVG: 2738000 34.3094 -40.9542 15.842 -41.0883 -15.7006 -50.8321 14.0336 -52.7513 4.90802 TIMING: 2738000 CPU: 8722.75, 0.00315994/step Wall: 8722.75, 0.00315993/step, 1.98549 hours remaining, 239.324219 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: 2738000 3982.2446 20347.2274 14534.9809 263.1353 -203345.3287 2639.1174 0.0000 0.0000 51988.6616 -109589.9616 298.7796 -161578.6232 -109227.2223 299.1616 25.1202 51.3489 760831.0770 7.8468 7.8390 PRESSURE: 2738200 -215.896 371.827 -292.88 371.828 71.2779 123.295 -292.881 123.294 61.1807 GPRESSURE: 2738200 -206.8 320.779 -259.414 256.589 78.0868 118.794 -74.5872 62.1533 134.903 PRESSAVG: 2738200 -8.73451 -43.4725 13.3705 -43.4725 -8.48628 -5.42246 13.3706 -5.42248 7.48938 GPRESSAVG: 2738200 -9.63606 -44.1775 11.489 -44.5403 -8.17798 -6.70549 14.9983 -6.2035 7.82511 TIMING: 2738200 CPU: 8723.37, 0.00312097/step Wall: 8723.37, 0.00312097/step, 1.96084 hours remaining, 239.324219 MB of memory in use. ENERGY: 2738200 4016.2619 20532.3260 14520.2060 263.9893 -203547.0111 2499.9510 0.0000 0.0000 52219.2744 -109495.0024 300.1049 -161714.2768 -109145.6598 299.3796 -27.8125 2.0633 760126.6214 -3.2438 -3.3296 PRESSURE: 2738400 -185.92 -4.40015 -22.8676 -4.39877 -142.077 2.90242 -22.8671 2.90241 -48.9609 GPRESSURE: 2738400 -172.564 33.9467 -29.2714 30.0761 -92.6847 25.9745 -68.0931 14.0915 -33.2491 PRESSAVG: 2738400 -42.343 -7.13467 27.1098 -7.13455 48.8276 -9.85199 27.1099 -9.85203 -9.17642 GPRESSAVG: 2738400 -40.4822 -7.5741 26.4972 -6.33534 48.8226 -9.41378 24.6434 -8.8745 -10.755 TIMING: 2738400 CPU: 8724, 0.00312165/step Wall: 8724, 0.00312165/step, 1.96109 hours remaining, 239.324219 MB of memory in use. ENERGY: 2738400 4035.9993 20536.6687 14545.7375 245.9388 -203185.1057 2441.5881 0.0000 0.0000 51969.1483 -109410.0251 298.6674 -161379.1733 -109031.8951 298.9274 -125.6526 -99.4992 761548.5877 -0.8973 -0.8049 PRESSURE: 2738600 197.359 40.4328 -287.165 40.4333 242.785 -104.257 -287.165 -104.258 144.684 GPRESSURE: 2738600 177.557 22.796 -147.727 -56.751 330.583 -57.1563 -247.795 -138.357 179.612 PRESSAVG: 2738600 -28.0835 15.1572 -25.6595 15.1571 62.9366 -51.5402 -25.6595 -51.5402 -4.65174 GPRESSAVG: 2738600 -27.5701 14.4532 -24.7496 14.0851 62.5829 -51.4409 -25.0799 -52.739 -4.0585 TIMING: 2738600 CPU: 8724.62, 0.00310033/step Wall: 8724.62, 0.00310033/step, 1.94752 hours remaining, 239.324219 MB of memory in use. ENERGY: 2738600 4061.4250 20479.5931 14645.8012 265.2125 -203675.7386 2909.1554 0.0000 0.0000 52022.7888 -109291.7626 298.9757 -161314.5513 -108931.2253 299.2681 194.9424 229.2506 759684.6099 10.0671 10.3181 PRESSURE: 2738800 7.50118 -17.4732 -183.121 -17.473 -74.1916 -92.4816 -183.121 -92.4808 -0.289999 GPRESSURE: 2738800 -80.5031 -87.7596 -215.684 35.113 -31.3382 -97.7172 -156.168 52.7887 93.7057 PRESSAVG: 2738800 55.7989 -34.4881 1.4154 -34.4882 -10.9835 -0.467393 1.41538 -0.467388 -17.3748 GPRESSAVG: 2738800 54.5574 -32.7566 0.202496 -33.4182 -9.72593 0.816741 4.58155 0.554484 -16.8996 TIMING: 2738800 CPU: 8725.24, 0.0031185/step Wall: 8725.24, 0.0031185/step, 1.95876 hours remaining, 239.324219 MB of memory in use. ENERGY: 2738800 3976.8378 20621.3851 14512.3340 239.5962 -203320.0152 2444.1005 0.0000 0.0000 52131.6300 -109394.1315 299.6012 -161525.7616 -109028.9031 299.6248 -22.3268 -6.0452 761634.9562 9.1469 9.3106 PRESSURE: 2739000 -190.46 -43.3207 188.014 -43.32 -109.225 136.798 188.014 136.799 226.81 GPRESSURE: 2739000 -98.3494 57.3426 178.532 -42.6851 -127.098 121.041 103.761 138.941 239.269 PRESSAVG: 2739000 -15.563 18.3315 20.0162 18.3315 13.9551 -21.3565 20.0162 -21.3565 -24.1424 GPRESSAVG: 2739000 -14.7906 16.7572 20.156 18.538 14.1148 -24.4441 19.3751 -20.8155 -25.4245 TIMING: 2739000 CPU: 8725.86, 0.00311497/step Wall: 8725.86, 0.00311497/step, 1.95637 hours remaining, 239.324219 MB of memory in use. ENERGY: 2739000 4008.2566 20657.9786 14567.4103 239.4504 -203461.7724 2438.0917 0.0000 0.0000 51983.1593 -109567.4255 298.7479 -161550.5848 -109196.0023 299.1245 -24.2918 4.6071 761138.3170 -8.5834 -8.7001 PRESSURE: 2739200 67.639 -39.1185 -36.8707 -39.1177 213.56 93.8556 -36.8713 93.8556 219.184 GPRESSURE: 2739200 102.129 -17.6658 -5.9099 -5.88543 258.379 49.1679 -71.8873 63.0608 228.193 PRESSAVG: 2739200 -31.7692 -8.94846 12.3792 -8.94848 37.79 23.3302 12.3791 23.3302 15.0139 GPRESSAVG: 2739200 -31.9131 -7.72024 13.0823 -9.70999 37.3656 25.7309 10.6769 21.9042 14.5393 TIMING: 2739200 CPU: 8726.48, 0.00311025/step Wall: 8726.48, 0.00311025/step, 1.95324 hours remaining, 239.324219 MB of memory in use. ENERGY: 2739200 4006.0147 20466.5244 14507.6512 257.6762 -203667.0665 2790.8885 0.0000 0.0000 52334.6550 -109303.6566 300.7680 -161638.3116 -108942.3017 299.4962 166.7944 196.2333 761337.7152 7.0116 6.6639 PRESSURE: 2739400 135.272 -125.452 191.068 -125.45 68.7938 -141.081 191.069 -141.08 -151.966 GPRESSURE: 2739400 117.536 -184.689 239.565 -76.0634 117.289 -114.918 214.307 -46.6444 -113.752 PRESSAVG: 2739400 14.6651 15.2021 2.25202 15.2021 10.5911 46.2551 2.25203 46.2551 -13.2059 GPRESSAVG: 2739400 14.3199 16.1049 1.34923 15.3587 10.1516 44.9313 3.41696 50.5594 -12.3738 TIMING: 2739400 CPU: 8727.11, 0.00312189/step Wall: 8727.11, 0.00312189/step, 1.96037 hours remaining, 239.324219 MB of memory in use. ENERGY: 2739400 4044.4443 20643.0618 14524.2339 259.0655 -203700.2976 2775.7205 0.0000 0.0000 51997.3012 -109456.4703 298.8292 -161453.7715 -109090.5605 299.3880 17.3668 40.3575 762549.6467 4.0168 4.0326 PRESSURE: 2739600 -176.271 -116.9 21.0042 -116.9 -150.927 48.0355 21.0036 48.0371 86.3843 GPRESSURE: 2739600 -78.4027 30.9979 43.6851 -45.6561 -205.015 -30.3196 9.32148 -110.526 116.191 PRESSAVG: 2739600 -51.6717 5.43899 -4.08429 5.43895 17.2529 -65.1303 -4.08436 -65.1302 -11.488 GPRESSAVG: 2739600 -51.4126 3.80108 -3.36308 5.59973 16.4324 -63.8459 -5.69562 -69.1355 -10.8836 TIMING: 2739600 CPU: 8727.74, 0.00313134/step Wall: 8727.74, 0.00313134/step, 1.96614 hours remaining, 239.324219 MB of memory in use. ENERGY: 2739600 4063.1493 20685.0777 14496.5419 252.8568 -203708.0470 2674.3131 0.0000 0.0000 52128.5613 -109407.5469 299.5836 -161536.1083 -109049.6787 299.1501 -80.2711 -55.7420 760058.4436 -15.3023 -15.2879 PRESSURE: 2739800 -344.099 -6.28244 6.18069 -6.28246 137.054 -219.343 6.18135 -219.343 22.5524 GPRESSURE: 2739800 -373.243 -11.5596 -1.59428 -33.5899 208.717 -185.271 117.092 -340.711 85.461 PRESSAVG: 2739800 -64.9322 5.45954 54.2016 5.45946 48.6181 -32.2645 54.2017 -32.2645 18.2864 GPRESSAVG: 2739800 -65.4268 7.91287 55.41 4.68506 50.5484 -32.9722 54.538 -31.4619 16.7183 TIMING: 2739800 CPU: 8728.36, 0.00310591/step Wall: 8728.36, 0.00310591/step, 1.94999 hours remaining, 239.324219 MB of memory in use. ENERGY: 2739800 4087.6766 20613.1372 14489.4318 267.7007 -203092.5645 2399.7735 0.0000 0.0000 51976.1687 -109258.6761 298.7078 -161234.8448 -108899.8112 299.9440 -61.4974 -26.3552 760991.0586 0.6574 0.6133 PRESSURE: 2740000 -86.3102 -73.0539 -61.2176 -73.0542 -134.449 45.2387 -61.2168 45.238 -92.048 GPRESSURE: 2740000 -149.883 -62.4304 -35.9221 -47.862 -80.2424 81.21 -34.3633 28.2309 -26.762 PRESSAVG: 2740000 -33.442 -30.4322 3.93106 -30.4322 32.1207 -33.2978 3.93118 -33.2979 -19.871 GPRESSAVG: 2740000 -33.099 -32.6881 3.91168 -30.0258 30.3751 -32.8253 0.717222 -33.6488 -18.6202 TIMING: 2740000 CPU: 8728.98, 0.00311478/step Wall: 8728.98, 0.00311478/step, 1.95539 hours remaining, 239.324219 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: 2740000 3966.9731 20495.6915 14497.8596 255.6858 -202981.1684 2136.3351 0.0000 0.0000 52295.2582 -109333.3652 300.5416 -161628.6235 -108959.8141 299.7739 -104.2690 -85.6290 761745.6947 -7.0641 -7.1147 PRESSURE: 2740200 -257.281 -229.458 17.7706 -229.458 48.1227 14.2136 17.7708 14.2134 -39.3627 GPRESSURE: 2740200 -167.558 -101.671 -3.9144 -41.7545 36.2051 26.7602 194.919 65.6609 -38.3458 PRESSAVG: 2740200 8.98444 5.25997 -21.0429 5.25997 -64.9679 -0.303742 -21.0429 -0.303724 -31.1021 GPRESSAVG: 2740200 8.60444 5.46502 -21.2655 5.83211 -64.5142 0.114458 -19.1205 -1.75317 -31.2073 TIMING: 2740200 CPU: 8729.6, 0.00310379/step Wall: 8729.6, 0.00310379/step, 1.94832 hours remaining, 239.324219 MB of memory in use. ENERGY: 2740200 3977.4142 20565.6356 14536.3137 260.1656 -203276.4318 2601.9390 0.0000 0.0000 51973.7917 -109361.1721 298.6941 -161334.9638 -109000.5004 299.6302 -82.8402 -56.5662 762232.1005 -29.0285 -29.0390 LDB: ============= START OF LOAD BALANCING ============== 8742.05 LDB: ============== END OF LOAD BALANCING =============== 8742.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8742.05 LDB: ============= START OF LOAD BALANCING ============== 8742.36 LDB: Largest compute 7031 load 0.035711 is 18.3% of average load 0.195384 LDB: Average compute 0.004388 is 2.2% of average load 0.195384 LDB: TIME 8742.36 LOAD: AVG 0.195384 MAX 0.215132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 8742.36 LOAD: AVG 0.195384 MAX 0.215132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 8742.36 LOAD: AVG 0.195384 MAX 0.215132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 8742.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8742.37 PRESSURE: 2740400 152.437 -172.764 -9.3824 -172.764 214.844 -33.6372 -9.38106 -33.6375 363.432 GPRESSURE: 2740400 211.036 -128.385 -12.4776 -52.4874 238.514 -22.1073 2.00883 -123.793 348.154 PRESSAVG: 2740400 -43.4807 -16.6419 21.0647 -16.6418 41.4668 -22.9689 21.0647 -22.969 -5.68758 GPRESSAVG: 2740400 -44.3218 -15.6023 20.3305 -14.8107 41.9102 -23.9049 22.8099 -22.1374 -5.39078 TIMING: 2740400 CPU: 8730.23, 0.00317392/step Wall: 8730.23, 0.00317392/step, 1.99216 hours remaining, 241.003906 MB of memory in use. ENERGY: 2740400 3900.8398 20321.5809 14463.4965 231.9379 -203196.8687 2700.5323 0.0000 0.0000 52316.7606 -109261.7207 300.6651 -161578.4813 -108897.6301 299.8619 243.5709 265.9014 761830.9603 -2.5672 -2.6008 PRESSURE: 2740600 220.269 29.1701 -35.1364 29.1701 -187.464 60.5201 -35.138 60.5205 -371.372 GPRESSURE: 2740600 295.939 74.0826 -68.7742 -53.2994 -289.791 -31.9779 -144.724 75.7127 -277.638 PRESSAVG: 2740600 33.9894 17.186 7.02384 17.186 -10.003 -7.48157 7.02387 -7.48148 34.3612 GPRESSAVG: 2740600 35.0996 16.1424 8.06197 14.744 -11.5039 -8.51233 5.4834 -6.38974 34.6743 TIMING: 2740600 CPU: 8730.86, 0.00313062/step Wall: 8730.86, 0.00313062/step, 1.96481 hours remaining, 241.003906 MB of memory in use. ENERGY: 2740600 3995.3523 20490.3303 14425.9826 239.8496 -203057.5701 2500.6404 0.0000 0.0000 52073.6894 -109331.7255 299.2682 -161405.4149 -108969.0850 299.5522 -112.8554 -90.4968 761900.1647 19.4492 19.4234 PRESSURE: 2740800 -184.249 8.02289 184.927 8.02281 -232.87 -136.467 184.928 -136.467 -373.606 GPRESSURE: 2740800 -126.253 10.9997 230.452 26.6398 -207.968 -216.797 107.236 -93.4866 -368.495 PRESSAVG: 2740800 21.8262 17.3419 5.92144 17.3419 -1.13965 -26.4758 5.92146 -26.4758 -11.176 GPRESSAVG: 2740800 22.2507 16.9141 5.42604 18.9266 -0.6852 -25.2744 6.20078 -27.4812 -12.3414 TIMING: 2740800 CPU: 8731.49, 0.00312468/step Wall: 8731.49, 0.00312468/step, 1.96091 hours remaining, 241.003906 MB of memory in use. ENERGY: 2740800 3990.2293 20486.5462 14381.8426 244.6787 -202585.5743 2181.0753 0.0000 0.0000 52117.0553 -109184.1469 299.5174 -161301.2022 -108817.4023 299.1972 -263.5749 -234.2385 762668.2575 3.1702 3.0747 PRESSURE: 2741000 -224.607 111.202 180.371 111.202 -77.7212 -17.517 180.372 -17.5176 -113.493 GPRESSURE: 2741000 -160.759 96.131 195.256 118.223 -40.8545 -93.4554 230.059 -106.157 -125.376 PRESSAVG: 2741000 36.1521 1.02936 30.1149 1.02932 -9.06028 -30.5196 30.1149 -30.5195 -7.10824 GPRESSAVG: 2741000 36.4758 3.67964 29.8111 0.37745 -8.43515 -30.1626 29.8507 -30.4653 -7.92003 TIMING: 2741000 CPU: 8732.11, 0.00312389/step Wall: 8732.11, 0.00312389/step, 1.96024 hours remaining, 241.003906 MB of memory in use. ENERGY: 2741000 3939.7930 20669.9238 14482.5673 239.7477 -203091.7675 2503.3386 0.0000 0.0000 51931.1070 -109325.2901 298.4488 -161256.3971 -108969.9832 299.8907 -138.6073 -108.9965 761776.3582 6.6612 6.7069 PRESSURE: 2741200 -118.264 118.226 -53.3642 118.226 -252.884 -37.2275 -53.3645 -37.2268 -257.629 GPRESSURE: 2741200 -58.1105 149.704 -32.8136 204.311 -254.951 -32.1175 54.0359 -44.1853 -225.475 PRESSAVG: 2741200 13.9191 27.2393 10.0199 27.2394 -14.6554 -22.2368 10.0198 -22.2369 5.26958 GPRESSAVG: 2741200 12.3107 24.8 10.1147 27.7316 -13.7493 -24.6832 11.9556 -22.2239 5.93059 TIMING: 2741200 CPU: 8732.74, 0.00313335/step Wall: 8732.74, 0.00313335/step, 1.966 hours remaining, 241.003906 MB of memory in use. ENERGY: 2741200 4006.3773 20505.2675 14471.0201 252.3751 -203181.7756 2500.6590 0.0000 0.0000 52149.6244 -109296.4523 299.7046 -161446.0766 -108933.0884 299.9952 -209.5923 -179.5121 762065.1372 1.5111 1.4973 PRESSURE: 2741400 52.2916 9.80638 14.3418 9.80608 214.854 -177.421 14.3415 -177.422 10.7531 GPRESSURE: 2741400 79.8407 62.994 -71.4818 5.9041 182.442 -165.744 -17.362 -122.501 78.1273 PRESSAVG: 2741400 27.4311 31.1244 -7.10633 31.1244 -26.8376 7.84234 -7.10626 7.84242 -8.47867 GPRESSAVG: 2741400 27.9939 32.33 -6.88502 30.1554 -27.4621 10.3081 -7.73789 8.05529 -7.6853 TIMING: 2741400 CPU: 8733.36, 0.00313348/step Wall: 8733.36, 0.00313348/step, 1.96591 hours remaining, 241.003906 MB of memory in use. ENERGY: 2741400 4028.3944 20565.5081 14437.7005 236.9102 -203281.2525 2637.4949 0.0000 0.0000 52053.7902 -109321.4543 299.1538 -161375.2444 -108967.7364 299.8980 92.6328 113.4700 761475.6950 -2.6284 -2.3845 PRESSURE: 2741600 -1.91811 -194.107 15.1519 -194.107 34.0783 10.7093 15.152 10.7084 671.622 GPRESSURE: 2741600 125.13 -193.838 40.126 -176.487 32.0359 19.214 13.6254 12.5779 617.11 PRESSAVG: 2741600 24.8629 -53.8271 30.9372 -53.8271 -54.3255 41.8256 30.9373 41.8257 -4.19193 GPRESSAVG: 2741600 25.3978 -55.2294 31.2255 -52.6627 -55.652 42.5442 31.3938 42.1474 -3.6054 TIMING: 2741600 CPU: 8733.99, 0.00313194/step Wall: 8733.99, 0.00313194/step, 1.96477 hours remaining, 241.003906 MB of memory in use. ENERGY: 2741600 4031.2239 20505.0850 14525.2562 241.8435 -203443.0141 2785.0913 0.0000 0.0000 52100.1925 -109254.3217 299.4205 -161354.5142 -108891.9691 299.7260 234.5941 258.0917 762401.1478 -11.2182 -11.2865 PRESSURE: 2741800 -11.9986 -178.812 7.23335 -178.811 -91.7331 5.50523 7.23339 5.50416 -427.259 GPRESSURE: 2741800 -7.7322 -190.503 25.7155 -149.25 -42.0073 23.3207 -83.4191 11.3399 -398.87 PRESSAVG: 2741800 -17.5112 -24.4745 37.0954 -24.4744 0.949609 -44.4697 37.0954 -44.4696 -7.35123 GPRESSAVG: 2741800 -18.1865 -23.4012 37.7932 -26.1139 2.38195 -46.3364 36.5838 -45.0361 -7.95488 TIMING: 2741800 CPU: 8734.62, 0.00313604/step Wall: 8734.62, 0.00313604/step, 1.96717 hours remaining, 241.003906 MB of memory in use. ENERGY: 2741800 4035.2184 20283.0712 14513.7147 212.6381 -203041.1501 2411.3028 0.0000 0.0000 52159.1834 -109426.0215 299.7595 -161585.2048 -109056.5119 299.4788 -176.9969 -149.5364 761472.3759 -7.9709 -7.9198 PRESSURE: 2742000 -3.77649 -334.112 2.00304 -334.111 82.4897 -26.1866 2.00262 -26.1866 370.26 GPRESSURE: 2742000 184.181 -387.821 -9.73261 -87.3351 128.895 -59.7216 49.5993 53.4066 247.564 PRESSAVG: 2742000 46.6635 -82.8315 5.92494 -82.8315 -43.1376 22.0292 5.92496 22.0292 3.18023 GPRESSAVG: 2742000 46.8854 -84.3648 5.32673 -80.6018 -42.8587 23.5847 6.61707 23.4197 2.03702 TIMING: 2742000 CPU: 8735.24, 0.00313029/step Wall: 8735.24, 0.00313029/step, 1.96339 hours remaining, 241.003906 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: 2742000 3942.3632 20440.3048 14511.1616 258.3589 -203295.2924 2705.4342 0.0000 0.0000 52181.4394 -109256.2303 299.8874 -161437.6697 -108876.2028 299.4918 149.6579 186.8799 760899.4176 2.2354 2.0212 PRESSURE: 2742200 -72.8622 -98.8254 1.37622 -98.8265 -290.751 78.9001 1.37718 78.9005 76.4007 GPRESSURE: 2742200 -100.182 -11.771 -63.3612 55.9994 -196.055 44.5488 69.9619 62.4057 81.1676 PRESSAVG: 2742200 19.0502 -62.2146 25.8861 -62.2146 -24.4602 -22.1585 25.8862 -22.1586 -1.3147 GPRESSAVG: 2742200 18.2909 -62.2276 25.8404 -62.3219 -24.8046 -22.7096 27.2522 -24.4109 -0.0999494 TIMING: 2742200 CPU: 8735.87, 0.00311552/step Wall: 8735.87, 0.00311552/step, 1.95395 hours remaining, 241.003906 MB of memory in use. ENERGY: 2742200 4037.0672 20454.7913 14528.9246 234.5634 -203074.5801 2341.2335 0.0000 0.0000 52107.0176 -109370.9825 299.4597 -161478.0001 -109009.0208 299.3622 -95.7374 -71.6897 761069.5008 -2.2416 -2.2045 PRESSURE: 2742400 -81.9116 159.891 15.5325 159.89 51.2708 352.976 15.5335 352.975 -187.146 GPRESSURE: 2742400 -46.8569 95.2557 31.3336 98.272 14.0004 376.667 -8.13753 204.31 -113.226 PRESSAVG: 2742400 65.8376 -6.72148 -6.91614 -6.72143 -62.7086 -17.5905 -6.91613 -17.5905 18.5506 GPRESSAVG: 2742400 65.6826 -7.05232 -6.77368 -6.68479 -62.5065 -15.9638 -9.17526 -17.4704 18.6552 TIMING: 2742400 CPU: 8736.49, 0.00309748/step Wall: 8736.49, 0.00309748/step, 1.94247 hours remaining, 241.003906 MB of memory in use. ENERGY: 2742400 3993.1358 20561.1041 14490.8350 240.5692 -202927.8550 2450.1075 0.0000 0.0000 52011.8158 -109180.2875 298.9126 -161192.1033 -108823.9623 299.2990 -72.5956 -48.6942 760421.9504 7.2265 7.2771 PRESSURE: 2742600 -22.9594 54.8368 203.937 54.8372 -512.574 -15.9447 203.938 -15.9444 -273.411 GPRESSURE: 2742600 -106.111 7.21981 226.58 13.5733 -405.049 36.8452 186.58 -4.95204 -224.633 PRESSAVG: 2742600 -12.4271 -3.07531 10.5909 -3.0752 -12.5338 -40.7083 10.5909 -40.7082 -22.1404 GPRESSAVG: 2742600 -12.1446 -3.27672 11.5415 -4.83866 -13.0902 -41.3549 11.4394 -40.6589 -21.8214 TIMING: 2742600 CPU: 8737.11, 0.00311248/step Wall: 8737.11, 0.00311248/step, 1.9517 hours remaining, 241.003906 MB of memory in use. ENERGY: 2742600 3964.7635 20527.6936 14480.5772 252.4741 -202724.8639 2331.2124 0.0000 0.0000 52060.8328 -109107.3103 299.1943 -161168.1431 -108745.9176 299.7766 -269.6481 -245.2644 761400.4756 -15.7004 -15.6854 PRESSURE: 2742800 -20.5091 -77.817 28.1826 -77.8168 57.3853 -198.721 28.1829 -198.721 -211.062 GPRESSURE: 2742800 17.616 10.8446 21.1445 -24.8414 90.2851 -262.118 -29.5137 -182.775 -193.281 PRESSAVG: 2742800 -20.5447 -21.8632 19.7958 -21.8633 37.6159 53.3878 19.7958 53.3879 -2.20184 GPRESSAVG: 2742800 -21.0535 -19.6498 18.9218 -21.1352 38.3607 52.5951 19.3285 55.0768 -2.91323 TIMING: 2742800 CPU: 8737.73, 0.00312955/step Wall: 8737.73, 0.00312955/step, 1.96223 hours remaining, 241.003906 MB of memory in use. ENERGY: 2742800 3945.4169 20688.6902 14476.9923 230.8274 -203001.3207 2267.1252 0.0000 0.0000 52068.3640 -109323.9046 299.2376 -161392.2686 -108968.1437 299.3142 -58.0620 -28.4600 761498.7650 4.9565 4.7980 PRESSURE: 2743000 351.6 308.336 59.4261 308.335 430.747 -115.776 59.4248 -115.775 592.87 GPRESSURE: 2743000 389.534 241.862 57.8301 243.786 458.277 -131.551 18.5083 -153.552 609 PRESSAVG: 2743000 -13.8956 -19.3785 -22.9429 -19.3785 16.2147 21.9764 -22.9429 21.9763 -38.159 GPRESSAVG: 2743000 -12.686 -20.5369 -22.8196 -18.7703 15.0008 22.2547 -21.0508 20.6024 -38.692 TIMING: 2743000 CPU: 8738.36, 0.00310865/step Wall: 8738.36, 0.00310865/step, 1.94895 hours remaining, 241.003906 MB of memory in use. ENERGY: 2743000 3913.7826 20459.1676 14539.5169 236.4312 -203213.3181 2746.5216 0.0000 0.0000 51946.8737 -109371.0245 298.5394 -161317.8982 -109004.4158 299.3652 458.4057 485.6037 759888.1621 -11.9466 -12.1257 PRESSURE: 2743200 70.9641 123.207 97.1816 123.206 167.5 -185.543 97.1823 -185.543 64.4549 GPRESSURE: 2743200 70.0257 117.248 53.8196 165.578 178.964 -193.061 40.3373 -78.9981 145.653 PRESSAVG: 2743200 -13.3556 20.1615 -8.88284 20.1615 -21.4049 31.2423 -8.88279 31.2422 36.4406 GPRESSAVG: 2743200 -14.4269 18.4229 -9.53529 20.5497 -21.4023 31.0989 -11.5397 31.8303 37.0103 TIMING: 2743200 CPU: 8738.98, 0.00310269/step Wall: 8738.98, 0.00310269/step, 1.94504 hours remaining, 241.003906 MB of memory in use. ENERGY: 2743200 3925.2977 20280.2475 14510.4121 235.8897 -203138.6631 2494.1502 0.0000 0.0000 52210.0028 -109482.6633 300.0516 -161692.6660 -109121.3364 298.8361 100.9731 131.5479 762170.1911 0.5601 0.3937 PRESSURE: 2743400 61.8492 -117.652 -167.126 -117.652 -120.596 -112.429 -167.127 -112.429 439.419 GPRESSURE: 2743400 56.8467 -148.774 -160.988 -114.791 -48.221 -108.896 -121.694 -3.95249 454.175 PRESSAVG: 2743400 15.4719 24.3985 -35.2905 24.3985 3.16886 -9.72359 -35.2905 -9.72358 8.0443 GPRESSAVG: 2743400 15.5568 24.5013 -33.7445 25.8471 3.3803 -9.17929 -34.7421 -9.53565 7.59153 TIMING: 2743400 CPU: 8739.6, 0.00311079/step Wall: 8739.6, 0.0031108/step, 1.94995 hours remaining, 241.003906 MB of memory in use. ENERGY: 2743400 3996.5129 20402.4031 14568.3936 257.9403 -203811.8853 2948.2827 0.0000 0.0000 52336.5393 -109301.8133 300.7788 -161638.3526 -108924.4122 298.9147 126.8906 154.2667 759999.5108 8.8950 8.8429 PRESSURE: 2743600 -519.197 -240.729 225.592 -240.729 244.253 205.629 225.593 205.63 -448.59 GPRESSURE: 2743600 -467.525 -274.948 282.136 -185.718 199.106 181.725 173.628 61.7732 -355.722 PRESSAVG: 2743600 -54.5649 30.0439 14.2455 30.0439 51.6614 -8.75694 14.2455 -8.75692 29.5875 GPRESSAVG: 2743600 -54.6915 33.9054 14.1323 28.3318 50.8466 -7.66193 13.6501 -11.0001 30.8565 TIMING: 2743600 CPU: 8740.22, 0.00309853/step Wall: 8740.22, 0.00309853/step, 1.94209 hours remaining, 241.003906 MB of memory in use. ENERGY: 2743600 3907.3513 20442.1127 14505.5518 253.7064 -202898.7950 2362.4204 0.0000 0.0000 52153.7972 -109273.8552 299.7286 -161427.6524 -108904.3621 299.4875 -241.1779 -208.0468 763400.6307 8.8947 9.0039 PRESSURE: 2743800 -60.9347 -31.4494 105.52 -31.45 28.3001 -20.1646 105.519 -20.1658 167.274 GPRESSURE: 2743800 58.0059 2.66016 37.3932 38.7227 -16.5061 -30.654 202.229 -78.4324 168.36 PRESSAVG: 2743800 44.8445 -5.49266 26.6246 -5.49265 18.4969 -8.44061 26.6246 -8.44063 4.98296 GPRESSAVG: 2743800 44.8056 -8.70181 25.8802 -4.81838 19.0318 -10.1016 26.9176 -6.28111 4.27084 TIMING: 2743800 CPU: 8740.84, 0.00311414/step Wall: 8740.84, 0.00311414/step, 1.9517 hours remaining, 241.003906 MB of memory in use. ENERGY: 2743800 4016.3185 20432.8956 14537.6087 242.4883 -203344.4811 2546.2319 0.0000 0.0000 52051.2711 -109517.6670 299.1394 -161568.9381 -109158.9369 299.3025 44.8798 69.9531 761235.0391 22.7748 22.7027 PRESSURE: 2744000 -144.18 -160.761 -27.2625 -160.762 92.9982 -65.0974 -27.263 -65.0966 30.9423 GPRESSURE: 2744000 -151.29 -119.059 -89.6438 -196.218 123.213 -24.0416 -3.12598 -79.0143 90.2513 PRESSAVG: 2744000 -26.0977 9.95413 -25.9172 9.95411 49.4323 -20.126 -25.9172 -20.1259 -13.0515 GPRESSAVG: 2744000 -25.942 10.4262 -26.7796 8.21217 48.6394 -19.1569 -22.6155 -21.5614 -12.6173 TIMING: 2744000 CPU: 8741.47, 0.00313748/step Wall: 8741.47, 0.00313748/step, 1.96616 hours remaining, 241.003906 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: 2744000 3939.7255 20504.0588 14500.9178 254.2368 -203259.5413 2563.7539 0.0000 0.0000 51902.4589 -109594.3897 298.2841 -161496.8485 -109224.7291 298.9566 -6.7465 20.7246 760725.3664 3.4277 3.3600 PRESSURE: 2744200 141.406 125.404 159.607 125.405 98.5899 42.5035 159.607 42.5033 235.531 GPRESSURE: 2744200 87.3342 57.8407 33.0355 104.31 267.192 154.468 194.985 -67.3589 237.434 PRESSAVG: 2744200 2.82967 -16.7059 10.8501 -16.7059 43.391 -16.2802 10.8502 -16.2804 -0.851824 GPRESSAVG: 2744200 2.24621 -15.5541 11.355 -13.7594 44.1648 -16.045 7.79927 -14.1414 -1.23878 TIMING: 2744200 CPU: 8742.1, 0.00314425/step Wall: 8742.1, 0.00314425/step, 1.97022 hours remaining, 241.003906 MB of memory in use. ENERGY: 2744200 4082.2549 20633.6394 14543.2667 248.2597 -203769.6827 2756.4460 0.0000 0.0000 51914.9365 -109590.8794 298.3559 -161505.8159 -109239.4648 299.1771 158.5088 197.3199 758924.5106 15.1229 15.0574 LDB: ============= START OF LOAD BALANCING ============== 8754.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8754.55 LDB: =============== DONE WITH MIGRATION ================ 8754.55 LDB: ============= START OF LOAD BALANCING ============== 8754.86 LDB: Largest compute 7031 load 0.034412 is 17.6% of average load 0.195386 LDB: Average compute 0.004401 is 2.3% of average load 0.195386 LDB: TIME 8754.86 LOAD: AVG 0.195386 MAX 0.213931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8754.87 LOAD: AVG 0.195386 MAX 0.213931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 8754.87 LOAD: AVG 0.195386 MAX 0.213931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 8754.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8754.87 PRESSURE: 2744400 -234.903 -20.2132 -26.0151 -20.2131 159.761 -148.02 -26.0153 -148.021 -214.54 GPRESSURE: 2744400 -71.0739 -105.197 -42.0189 -36.8476 81.0931 -66.3257 33.1979 -178.998 -210.479 PRESSAVG: 2744400 12.0216 -36.2168 29.2123 -36.2169 6.86808 11.6175 29.2122 11.6175 -26.9195 GPRESSAVG: 2744400 12.7757 -38.3572 29.5053 -37.0269 5.93134 11.2847 27.6858 11.2125 -26.4402 TIMING: 2744400 CPU: 8742.74, 0.00319297/step Wall: 8742.74, 0.00319296/step, 2.00057 hours remaining, 241.062500 MB of memory in use. ENERGY: 2744400 3954.2808 20513.5054 14550.6381 253.9015 -203336.2425 2450.5403 0.0000 0.0000 52012.3065 -109601.0699 298.9154 -161613.3764 -109238.1782 299.0257 -96.5608 -66.8200 761089.9462 -2.6766 -2.5777 PRESSURE: 2744600 77.778 111.768 23.3969 111.768 -198.954 5.33171 23.3962 5.33212 242.682 GPRESSURE: 2744600 -20.1323 17.2805 49.0203 103.894 -28.8675 44.4039 34.147 -21.7454 261.263 PRESSAVG: 2744600 57.1809 8.17044 55.6115 8.17046 -48.244 41.4443 55.6115 41.4444 -1.72738 GPRESSAVG: 2744600 57.5497 8.44903 57.2432 7.56469 -48.9159 41.1136 60.3088 40.7721 -1.36767 TIMING: 2744600 CPU: 8743.36, 0.00312768/step Wall: 8743.36, 0.00312768/step, 1.95949 hours remaining, 241.265625 MB of memory in use. ENERGY: 2744600 3956.2594 20450.2935 14423.7881 259.6485 -203299.3678 2624.5134 0.0000 0.0000 51912.5799 -109672.2850 298.3423 -161584.8649 -109303.1594 299.0136 40.5018 70.7543 761213.2600 2.4032 2.4220 PRESSURE: 2744800 -131.911 -49.2288 -64.5229 -49.2286 374.183 -44.586 -64.5223 -44.5859 -95.2548 GPRESSURE: 2744800 -124.845 -23.6709 -75.3038 -71.7983 371.073 -65.6498 -108.18 -22.0061 -15.2202 PRESSAVG: 2744800 -13.3719 -38.1358 74.2823 -38.1358 1.03979 -18.6551 74.2823 -18.6551 -3.82118 GPRESSAVG: 2744800 -13.5871 -39.0515 72.9683 -37.2427 1.53719 -21.2918 72.3687 -17.1638 -4.76817 TIMING: 2744800 CPU: 8743.99, 0.00311674/step Wall: 8743.99, 0.00311674/step, 1.95247 hours remaining, 241.265625 MB of memory in use. ENERGY: 2744800 3900.3391 20558.7424 14503.5269 251.0518 -203357.6136 2574.2489 0.0000 0.0000 52243.9333 -109325.7714 300.2466 -161569.7047 -108960.1805 299.2642 49.0056 77.0026 761933.2919 -5.3844 -5.6060 PRESSURE: 2745000 88.0244 177.91 -67.1208 177.91 -109.861 -49.9895 -67.1212 -49.9887 -73.1333 GPRESSURE: 2745000 148.367 48.9659 -107.895 189.784 -111.953 -91.8214 -19.3796 -27.8061 -49.6698 PRESSAVG: 2745000 26.4865 -33.0145 31.2707 -33.0145 -61.0447 -3.07566 31.2707 -3.07568 -13.6506 GPRESSAVG: 2745000 26.3627 -31.9 31.1786 -35.3129 -61.4807 -1.78901 30.4617 -3.41414 -13.0707 TIMING: 2745000 CPU: 8744.61, 0.00312261/step Wall: 8744.61, 0.00312261/step, 1.95597 hours remaining, 241.265625 MB of memory in use. ENERGY: 2745000 3962.8334 20520.4740 14568.6486 250.2618 -203305.7898 2427.5386 0.0000 0.0000 52266.3814 -109309.6520 300.3756 -161576.0334 -108953.4146 299.9439 -31.6566 -4.4185 761428.3321 -16.0696 -16.0629 PRESSURE: 2745200 -5.79999 -80.1633 -42.6635 -80.1632 -325.725 -88.6371 -42.6641 -88.6366 -73.0763 GPRESSURE: 2745200 -92.8888 -102.524 -14.1874 -70.4106 -205.417 -93.6319 -31.2129 -67.7818 -31.6225 PRESSAVG: 2745200 16.2967 -20.624 -32.2543 -20.6239 18.8791 14.0855 -32.2544 14.0854 -10.6415 GPRESSAVG: 2745200 15.5347 -19.5029 -30.8215 -20.6325 20.2839 15.7821 -33.3116 12.4394 -11.2794 TIMING: 2745200 CPU: 8745.24, 0.0031252/step Wall: 8745.24, 0.00312519/step, 1.95741 hours remaining, 241.265625 MB of memory in use. ENERGY: 2745200 3948.2631 20600.1087 14531.1948 242.4383 -202754.2265 2115.6818 0.0000 0.0000 51978.5311 -109338.0088 298.7213 -161316.5399 -108989.3913 299.6629 -134.8670 -109.9760 762985.1644 8.1781 8.1797 PRESSURE: 2745400 -476.403 256.776 60.9728 256.777 -251.762 368.502 60.9728 368.502 -374.967 GPRESSURE: 2745400 -422.756 222.909 46.2854 219.587 -245.459 441.784 14.4909 395.747 -343.811 PRESSAVG: 2745400 28.9153 -10.0429 -54.528 -10.0429 -0.0394249 40.3563 -54.5281 40.3563 3.61048 GPRESSAVG: 2745400 28.4115 -9.84333 -54.4415 -10.7418 0.48024 39.9681 -51.5943 42.092 4.11333 TIMING: 2745400 CPU: 8745.86, 0.00312403/step Wall: 8745.86, 0.00312403/step, 1.95651 hours remaining, 241.265625 MB of memory in use. ENERGY: 2745400 4046.9751 20357.6765 14530.2282 245.1077 -202913.7962 2272.6999 0.0000 0.0000 51917.7343 -109543.3745 298.3719 -161461.1088 -109175.8675 299.4583 -367.7107 -337.3420 760804.7012 10.8288 11.0017 PRESSURE: 2745600 17.5991 -156.964 118.095 -156.965 -92.3062 133.512 118.094 133.512 251.724 GPRESSURE: 2745600 121.013 -154.011 90.0243 -74.7322 -70.988 73.9603 114.316 134.475 217.521 PRESSAVG: 2745600 32.1486 -6.45617 -5.89176 -6.45622 -11.8547 31.0923 -5.89174 31.0924 -5.82959 GPRESSAVG: 2745600 35.1595 -8.06914 -6.2014 -4.87054 -12.8812 29.2442 -9.68183 28.927 -7.97353 TIMING: 2745600 CPU: 8746.48, 0.00311183/step Wall: 8746.48, 0.00311183/step, 1.9487 hours remaining, 241.265625 MB of memory in use. ENERGY: 2745600 4004.2730 20549.2814 14457.1274 224.9882 -203522.5030 2722.0679 0.0000 0.0000 51950.3098 -109614.4552 298.5591 -161564.7650 -109256.8236 298.6060 59.0057 89.1820 759757.8404 4.8214 4.7683 PRESSURE: 2745800 -89.415 -86.3546 -33.5036 -86.354 -48.225 -215.371 -33.5037 -215.371 -78.8103 GPRESSURE: 2745800 -143.963 -33.7861 -92.2252 -22.8223 55.646 -241.817 -16.0861 -147.331 -49.2536 PRESSAVG: 2745800 -24.9581 0.411946 12.7029 0.411955 4.63187 33.7113 12.7029 33.7113 -29.6014 GPRESSAVG: 2745800 -27.463 -0.673043 14.0704 2.4697 5.05942 35.4883 13.6444 33.4285 -27.794 TIMING: 2745800 CPU: 8747.11, 0.00311771/step Wall: 8747.11, 0.00311771/step, 1.9522 hours remaining, 241.265625 MB of memory in use. ENERGY: 2745800 3968.4395 20330.6764 14507.7424 255.2754 -203240.0784 2376.3473 0.0000 0.0000 52444.2173 -109357.3800 301.3976 -161801.5973 -108993.9962 298.8466 -72.1501 -45.8568 759641.3753 -16.6425 -16.7325 PRESSURE: 2746000 -11.0697 18.3517 -24.9132 18.3517 -117.057 43.2072 -24.9127 43.206 118.562 GPRESSURE: 2746000 3.12646 20.5691 17.8258 104.592 -72.4576 -14.8191 -55.1555 201.562 143.332 PRESSAVG: 2746000 35.2217 -39.1903 -42.0769 -39.1903 14.0379 47.1813 -42.0769 47.1813 16.894 GPRESSAVG: 2746000 35.1013 -37.6315 -43.4309 -41.8136 14.714 49.1968 -42.1283 48.4131 16.6381 TIMING: 2746000 CPU: 8747.73, 0.00312127/step Wall: 8747.73, 0.00312127/step, 1.95426 hours remaining, 241.265625 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: 2746000 3964.8089 20383.2869 14496.4309 225.6720 -203021.1363 2360.1170 0.0000 0.0000 52163.9564 -109426.8642 299.7870 -161590.8206 -109068.1054 299.6090 -3.1884 24.6670 759299.3168 22.0512 22.1511 PRESSURE: 2746200 130.75 172.926 159.826 172.926 -107.324 -173.534 159.826 -173.535 -241.118 GPRESSURE: 2746200 147.014 141.203 208.312 184.856 -144.943 -222.089 23.387 -225.089 -138.68 PRESSAVG: 2746200 -35.5388 19.6491 -48.0169 19.649 59.6598 6.49525 -48.017 6.49522 -0.35822 GPRESSAVG: 2746200 -32.7473 18.3497 -47.0194 20.2362 57.3778 3.99391 -48.5639 5.93164 -0.454071 TIMING: 2746200 CPU: 8748.35, 0.00310972/step Wall: 8748.35, 0.00310972/step, 1.94686 hours remaining, 241.265625 MB of memory in use. ENERGY: 2746200 3952.7919 20472.1388 14493.7896 239.5026 -202929.4040 2298.4288 0.0000 0.0000 52009.6603 -109463.0920 298.9002 -161472.7523 -109091.7822 298.8973 -72.5639 -45.5363 759455.8397 7.9209 8.0588 PRESSURE: 2746400 -601.922 145.356 131.803 145.356 -349.842 142.009 131.803 142.01 -550.591 GPRESSURE: 2746400 -564.898 130.629 164.82 218.003 -294.51 113.615 36.5966 62.0799 -560.299 PRESSAVG: 2746400 69.565 -11.0985 -39.8282 -11.0984 -40.0361 0.196299 -39.8282 0.196291 16.8792 GPRESSAVG: 2746400 68.7775 -9.34385 -38.4963 -9.55659 -39.1215 -0.164385 -41.3757 0.331428 16.4938 TIMING: 2746400 CPU: 8748.98, 0.00312305/step Wall: 8748.98, 0.00312305/step, 1.95503 hours remaining, 241.265625 MB of memory in use. ENERGY: 2746400 4038.5151 20412.3503 14443.1416 253.2293 -202837.8268 2085.0425 0.0000 0.0000 52189.7921 -109415.7560 299.9355 -161605.5480 -109049.0476 299.0008 -500.7851 -473.2358 761117.7444 15.4693 15.3833 PRESSURE: 2746600 -145.462 -11.3101 -242.774 -11.3098 -109.844 38.0149 -242.774 38.0149 230.402 GPRESSURE: 2746600 -171.88 26.0661 -194.444 -50.0537 -56.8611 22.5942 -112.128 68.9954 280.738 PRESSAVG: 2746600 -30.9661 -10.4255 13.519 -10.4255 52.1191 18.3454 13.519 18.3454 3.00023 GPRESSAVG: 2746600 -31.0795 -10.5718 12.5021 -11.561 52.7362 18.8892 17.1602 15.8419 3.07225 TIMING: 2746600 CPU: 8749.6, 0.00311721/step Wall: 8749.6, 0.00311721/step, 1.9512 hours remaining, 241.265625 MB of memory in use. ENERGY: 2746600 4024.8365 20539.1451 14440.0939 245.4966 -203294.2827 2582.6272 0.0000 0.0000 52048.7947 -109413.2887 299.1251 -161462.0834 -109050.6195 299.1612 -8.3016 17.3324 762250.6465 8.0511 8.2430 PRESSURE: 2746800 205.137 -106.412 25.6458 -106.412 83.0203 -45.0131 25.646 -45.0116 -73.5753 GPRESSURE: 2746800 158.762 -110.522 -0.350101 10.6295 149.906 7.38241 60.7826 -20.4568 -16.1222 PRESSAVG: 2746800 -73.5629 -30.7189 28.9711 -30.719 39.8552 39.5143 28.9712 39.5143 -19.0232 GPRESSAVG: 2746800 -73.5431 -29.9322 28.6126 -32.6873 38.9737 39.7654 27.0796 41.4388 -18.6711 TIMING: 2746800 CPU: 8750.22, 0.00312261/step Wall: 8750.22, 0.00312261/step, 1.95441 hours remaining, 241.265625 MB of memory in use. ENERGY: 2746800 4039.0399 20621.3233 14464.2252 254.2446 -203113.6042 2398.6755 0.0000 0.0000 51856.5243 -109479.5715 298.0202 -161336.0957 -109125.1802 299.1556 71.5273 97.5154 761692.6797 -17.5770 -17.7468 PRESSURE: 2747000 -64.8321 -25.2583 -134.456 -25.2586 263.718 50.4678 -134.456 50.4691 -91.8935 GPRESSURE: 2747000 -24.5855 62.346 -269.322 -34.4391 291.822 30.2331 -196.493 6.94311 -79.2468 PRESSAVG: 2747000 -13.9364 -53.5741 57.9177 -53.574 -10.0687 0.674318 57.9176 0.674419 -6.56013 GPRESSAVG: 2747000 -13.7987 -52.4998 59.6044 -54.4711 -9.61798 0.285111 58.7251 -0.219295 -6.55941 TIMING: 2747000 CPU: 8750.85, 0.0031225/step Wall: 8750.85, 0.0031225/step, 1.95416 hours remaining, 241.265625 MB of memory in use. ENERGY: 2747000 4006.5436 20482.4139 14536.9137 261.9511 -203039.5681 2461.0558 0.0000 0.0000 51793.1291 -109497.5608 297.6558 -161290.6899 -109129.6184 299.0865 35.6642 62.6631 761842.7652 -10.1884 -9.9920 PRESSURE: 2747200 -152.368 -66.732 29.2669 -66.7324 -50.5751 211.308 29.2674 211.307 155.754 GPRESSURE: 2747200 -201.202 -12.9246 40.7112 -13.8279 8.26167 133.113 65.3013 314.803 211.993 PRESSAVG: 2747200 59.6337 0.58698 -20.1325 0.587008 -12.8564 1.21212 -20.1325 1.21214 8.35537 GPRESSAVG: 2747200 59.0522 0.15007 -22.2492 2.39144 -12.0575 0.230124 -20.0615 2.89953 8.16074 TIMING: 2747200 CPU: 8751.47, 0.00311447/step Wall: 8751.47, 0.00311447/step, 1.94897 hours remaining, 241.265625 MB of memory in use. ENERGY: 2747200 4058.0778 20628.4617 14543.6772 242.0726 -203267.0553 2707.6540 0.0000 0.0000 51802.8195 -109284.2925 297.7115 -161087.1120 -108937.2131 299.1910 -15.7297 6.3509 761529.8778 18.3775 18.3851 PRESSURE: 2747400 -433.43 35.9905 139.691 35.9901 79.2405 -137.712 139.691 -137.713 52.9974 GPRESSURE: 2747400 -365.123 5.31139 149.215 -98.127 112.789 -58.1471 120.244 -168.605 34.9625 PRESSAVG: 2747400 -11.5508 -22.7542 -1.16393 -22.7542 -10.1602 5.73865 -1.1639 5.73866 3.27742 GPRESSAVG: 2747400 -10.4111 -23.5223 -1.04766 -24.6158 -10.9235 4.94968 -0.931601 4.59512 3.17225 TIMING: 2747400 CPU: 8752.1, 0.00313229/step Wall: 8752.1, 0.00313229/step, 1.95994 hours remaining, 241.265625 MB of memory in use. ENERGY: 2747400 4069.9038 20430.0163 14577.8725 240.4652 -203450.8828 2737.6143 0.0000 0.0000 52222.6482 -109172.3625 300.1243 -161395.0107 -108812.3949 299.6783 -100.3975 -72.4571 761145.1336 -6.1445 -6.0541 PRESSURE: 2747600 -1.6642 -127.986 -98.5645 -127.987 -116.384 5.40247 -98.5659 5.40316 -91.7823 GPRESSURE: 2747600 47.5402 -157.635 -84.8764 -77.4503 -98.1645 -64.2891 -91.6037 53.0445 -92.583 PRESSAVG: 2747600 -16.1953 -29.7783 22.9513 -29.7783 58.1252 -4.94786 22.9513 -4.9478 25.6286 GPRESSAVG: 2747600 -16.6936 -30.5082 23.2713 -28.2595 58.0964 -4.21729 21.0089 -3.63561 26.2474 TIMING: 2747600 CPU: 8752.73, 0.00313902/step Wall: 8752.73, 0.00313902/step, 1.96398 hours remaining, 241.265625 MB of memory in use. ENERGY: 2747600 4037.5638 20512.8236 14529.4797 259.0868 -203057.2716 2276.8534 0.0000 0.0000 52142.9975 -109298.4667 299.6665 -161441.4643 -108928.9581 299.5724 -69.9435 -47.7357 761651.0195 22.5195 22.5501 PRESSURE: 2747800 -143.716 -106.545 -42.1358 -106.545 70.0332 205.051 -42.1366 205.051 -407.085 GPRESSURE: 2747800 -184.092 -79.0786 -93.6462 -130.341 166.462 243.902 -37.1252 131.239 -387.242 PRESSAVG: 2747800 -64.1264 -21.0398 -31.4186 -21.0398 30.3439 -1.95928 -31.4186 -1.95927 -0.42632 GPRESSAVG: 2747800 -65.0421 -21.1471 -30.5336 -21.2227 31.7612 -0.785088 -29.3652 -2.7631 -1.24836 TIMING: 2747800 CPU: 8753.35, 0.00312365/step Wall: 8753.35, 0.00312365/step, 1.95419 hours remaining, 241.265625 MB of memory in use. ENERGY: 2747800 4011.9666 20472.4997 14512.0111 247.4231 -203181.4723 2511.5870 0.0000 0.0000 51966.3767 -109459.6082 298.6515 -161425.9849 -109095.1920 299.3309 -160.2559 -134.9574 761933.0445 -11.4029 -11.5098 PRESSURE: 2748000 -51.9463 56.9684 260.917 56.9675 -28.9541 -85.6606 260.917 -85.6619 232.388 GPRESSURE: 2748000 10.2733 99.1634 301.802 79.5193 51.7403 -46.6374 230.055 -66.5157 169.719 PRESSAVG: 2748000 -45.7047 -62.3337 41.886 -62.3337 7.0571 13.7967 41.886 13.7968 22.8876 GPRESSAVG: 2748000 -45.1508 -60.561 43.4657 -61.9883 7.65655 13.3881 39.7866 11.6701 21.3011 TIMING: 2748000 CPU: 8753.97, 0.00311835/step Wall: 8753.97, 0.00311835/step, 1.9507 hours remaining, 241.265625 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: 2748000 4019.5088 20586.5753 14529.0280 242.1218 -203972.6976 2864.4238 0.0000 0.0000 52048.2927 -109682.7474 299.1223 -161731.0400 -109320.1999 298.9809 50.4957 77.2442 759664.7717 -5.2533 -5.3977 PRESSURE: 2748200 -196.924 -1.91896 -53.433 -1.91855 69.3131 189.033 -53.4332 189.033 -414.413 GPRESSURE: 2748200 -119.862 54.5209 -120.952 -41.9532 43.5332 230.898 -127.819 187.279 -377.896 PRESSAVG: 2748200 -0.169827 6.10209 37.7727 6.10215 -18.7829 -55.5765 37.7727 -55.5765 -0.0612316 GPRESSAVG: 2748200 -1.1413 3.92 35.8147 5.37905 -20.2153 -56.3141 39.6119 -52.2233 2.20554 TIMING: 2748200 CPU: 8754.6, 0.00312304/step Wall: 8754.6, 0.00312304/step, 1.95346 hours remaining, 241.265625 MB of memory in use. ENERGY: 2748200 4065.8971 20370.9547 14537.6651 264.4577 -203400.0774 2510.3821 0.0000 0.0000 51886.5434 -109764.1772 298.1927 -161650.7206 -109398.1806 298.3631 -180.6749 -151.4081 760856.3210 -6.3380 -6.3837 LDB: ============= START OF LOAD BALANCING ============== 8767.05 LDB: ============== END OF LOAD BALANCING =============== 8767.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8767.05 LDB: ============= START OF LOAD BALANCING ============== 8767.36 LDB: Largest compute 7070 load 0.034780 is 17.8% of average load 0.195339 LDB: Average compute 0.004386 is 2.2% of average load 0.195339 LDB: TIME 8767.36 LOAD: AVG 0.195339 MAX 0.216013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8767.36 LOAD: AVG 0.195339 MAX 0.216013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 8767.36 LOAD: AVG 0.195339 MAX 0.216013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 8767.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8767.37 PRESSURE: 2748400 -34.8741 119.87 -163.966 119.871 -53.8961 -188.078 -163.967 -188.08 195.534 GPRESSURE: 2748400 44.1396 79.3723 -261.546 7.22603 -111.624 -226.283 -76.0651 -171.394 245.984 PRESSAVG: 2748400 -27.0286 8.70497 16.6657 8.70504 27.8435 -36.3662 16.6657 -36.3663 -32.6974 GPRESSAVG: 2748400 -25.6967 9.29273 17.0549 8.8817 27.4219 -36.5593 15.8679 -35.9634 -33.5721 TIMING: 2748400 CPU: 8755.23, 0.0031738/step Wall: 8755.23, 0.0031738/step, 1.98503 hours remaining, 240.023438 MB of memory in use. ENERGY: 2748400 4000.9610 20575.1627 14607.8306 256.8795 -203545.3232 2598.0794 0.0000 0.0000 51808.4350 -109697.9751 297.7438 -161506.4100 -109330.5026 298.6444 35.5878 59.4998 759848.4082 -10.6275 -10.6156 PRESSURE: 2748600 -285.107 -175.051 179.152 -175.05 51.2386 90.5602 179.152 90.5601 18.0843 GPRESSURE: 2748600 -266.784 -129.273 177.033 -255.289 94.5693 116.954 289.122 70.242 22.657 PRESSAVG: 2748600 7.35798 -28.5599 7.33491 -28.5599 7.68349 -2.26792 7.33493 -2.2679 1.01133 GPRESSAVG: 2748600 6.76997 -29.1341 7.17068 -30.0114 7.0644 -3.24524 6.26362 -1.63838 2.53671 TIMING: 2748600 CPU: 8755.86, 0.00313019/step Wall: 8755.86, 0.00313019/step, 1.95758 hours remaining, 240.226562 MB of memory in use. ENERGY: 2748600 4075.3726 20568.3966 14490.5648 257.5610 -203311.2110 2448.2054 0.0000 0.0000 51904.9396 -109566.1709 298.2984 -161471.1104 -109205.2979 298.3784 -71.9282 -49.8526 760529.3606 5.3509 5.4570 PRESSURE: 2748800 74.1479 -69.4003 111.257 -69.4011 259.046 46.7169 111.258 46.7162 -203.036 GPRESSURE: 2748800 128.149 16.6348 67.9521 58.1343 288.678 47.3901 -15.9553 39.6595 -207.141 PRESSAVG: 2748800 20.6603 5.6 1.34161 5.59999 8.27436 18.0162 1.34159 18.0162 0.584859 GPRESSAVG: 2748800 21.4579 4.68559 2.04898 8.60284 8.44074 18.7291 0.551305 15.9149 -0.241325 TIMING: 2748800 CPU: 8756.48, 0.00312232/step Wall: 8756.48, 0.00312232/step, 1.95249 hours remaining, 240.226562 MB of memory in use. ENERGY: 2748800 4025.0699 20683.7415 14474.4430 250.4172 -203286.1732 2574.1467 0.0000 0.0000 51934.8484 -109343.5065 298.4703 -161278.3548 -108987.3823 299.4056 43.3860 69.8955 760494.0651 9.8398 9.8858 PRESSURE: 2749000 -197.688 236.948 -229.217 236.949 60.0514 -31.8517 -229.215 -31.8527 259.446 GPRESSURE: 2749000 -23.9939 234.258 -324.206 208.375 5.56441 -12.2022 -125.047 34.3932 253.863 PRESSAVG: 2749000 26.4565 -2.89543 12.6379 -2.89544 -29.6733 8.93183 12.638 8.93182 2.08828 GPRESSAVG: 2749000 26.4183 -1.22331 11.4006 -6.01599 -30.4405 10.9665 15.1064 8.37346 3.11093 TIMING: 2749000 CPU: 8757.11, 0.00311945/step Wall: 8757.11, 0.00311945/step, 1.95052 hours remaining, 240.226562 MB of memory in use. ENERGY: 2749000 3986.5547 20495.3432 14497.7530 244.5005 -203705.6281 2749.9788 0.0000 0.0000 52355.3748 -109376.1231 300.8871 -161731.4979 -109007.4095 299.2561 40.6029 78.4778 760894.8098 -0.3762 -0.3037 PRESSURE: 2749200 120.278 -40.5927 -51.2137 -40.5934 97.444 -98.1931 -51.2138 -98.1928 305.55 GPRESSURE: 2749200 117.596 -89.6679 -69.1949 -13.5374 180.574 -15.5148 -12.3726 -105.593 301.572 PRESSAVG: 2749200 44.5284 -35.6903 4.79494 -35.6902 -25.7321 -22.3437 4.79501 -22.3438 -6.41242 GPRESSAVG: 2749200 43.5167 -36.3663 4.05439 -32.9332 -23.9807 -23.3031 5.43524 -23.72 -7.24517 TIMING: 2749200 CPU: 8757.73, 0.00311874/step Wall: 8757.73, 0.00311874/step, 1.94991 hours remaining, 240.226562 MB of memory in use. ENERGY: 2749200 3958.2042 20502.8629 14527.6824 228.7498 -203506.5229 2809.8547 0.0000 0.0000 52188.0720 -109291.0968 299.9256 -161479.1688 -108925.2855 299.8283 174.4242 199.9141 762248.1608 4.1280 4.0970 PRESSURE: 2749400 63.3506 18.2297 256.68 18.2295 209.317 -36.9788 256.68 -36.9781 17.3189 GPRESSURE: 2749400 75.3684 28.0048 357.598 -139.134 248.535 14.009 333.715 -45.1833 49.1926 PRESSAVG: 2749400 28.8491 -35.3976 3.71313 -35.3976 -71.8358 39.9432 3.71312 39.9433 25.1449 GPRESSAVG: 2749400 30.1227 -35.1399 3.56349 -36.183 -72.2822 38.3922 2.08053 39.8768 24.0894 TIMING: 2749400 CPU: 8758.35, 0.00311018/step Wall: 8758.35, 0.00311018/step, 1.94438 hours remaining, 240.226562 MB of memory in use. ENERGY: 2749400 4039.6266 20430.5565 14470.4928 248.8995 -203505.3009 2721.3432 0.0000 0.0000 52416.2412 -109178.1411 301.2369 -161594.3823 -108816.5915 299.8218 96.6622 124.3652 761333.3868 -5.9473 -6.0234 PRESSURE: 2749600 -134.015 -12.9738 108.924 -12.9742 -174.008 -171.13 108.924 -171.131 -151.111 GPRESSURE: 2749600 1.93773 103.865 146.617 70.812 -173.895 -146.195 41.0657 -95.9945 -210.59 PRESSAVG: 2749600 38.6372 19.9384 -10.2897 19.9383 -32.438 -22.9573 -10.2898 -22.9574 -17.5455 GPRESSAVG: 2749600 37.6021 19.5568 -8.29738 19.948 -32.8321 -22.3437 -9.7023 -22.9378 -15.9499 TIMING: 2749600 CPU: 8758.98, 0.00310613/step Wall: 8758.98, 0.00310613/step, 1.94168 hours remaining, 240.226562 MB of memory in use. ENERGY: 2749600 3985.9473 20689.2517 14496.2999 255.2679 -202733.7238 2219.4284 0.0000 0.0000 51937.9691 -109149.5595 298.4882 -161087.5285 -108792.8786 299.7803 -153.0446 -127.5159 761981.0024 -3.7821 -3.7266 PRESSURE: 2749800 99.3091 265.971 -126.773 265.97 -65.0615 10.2576 -126.773 10.2577 390.437 GPRESSURE: 2749800 238.968 194.742 -101.146 279.527 11.4643 158.231 22.7013 1.59117 274.396 PRESSAVG: 2749800 29.4528 6.23865 -1.82288 6.23862 -35.473 -93.0263 -1.8228 -93.0263 13.8816 GPRESSAVG: 2749800 31.3992 5.93384 -3.10263 4.94704 -36.5113 -91.1615 -2.61501 -91.8445 13.0095 TIMING: 2749800 CPU: 8759.6, 0.00311102/step Wall: 8759.6, 0.00311102/step, 1.94456 hours remaining, 240.226562 MB of memory in use. ENERGY: 2749800 3970.2751 20629.4086 14547.3274 227.4294 -203359.4813 2613.6708 0.0000 0.0000 52004.1682 -109367.2017 298.8687 -161371.3699 -109018.4411 299.2720 141.5615 174.9427 761960.9463 2.6205 2.6325 PRESSURE: 2750000 -583.255 -110.259 -5.896 -110.26 -567.512 -124.863 -5.89596 -124.863 14.1842 GPRESSURE: 2750000 -533.006 -152.082 -10.3307 -28.6898 -527.797 -54.547 60.7021 -50.8801 1.29788 PRESSAVG: 2750000 -0.37193 4.11952 -4.54343 4.11955 -28.4118 -60.1406 -4.5434 -60.1406 -21.3549 GPRESSAVG: 2750000 -2.27308 2.77415 -4.92579 6.15606 -26.3158 -61.3202 -2.58298 -59.886 -21.7706 TIMING: 2750000 CPU: 8760.22, 0.00312548/step Wall: 8760.22, 0.00312548/step, 1.95343 hours remaining, 240.226562 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: 2750000 4043.0615 20510.8198 14498.7181 236.1636 -203035.4980 2257.0774 0.0000 0.0000 51901.6058 -109588.0517 298.2792 -161489.6575 -109232.8864 298.9237 -378.8609 -353.1686 763921.8298 -16.7129 -16.7865 PRESSURE: 2750200 -119.078 9.48114 14.0111 9.48153 74.937 -227.198 14.0115 -227.198 -183.673 GPRESSURE: 2750200 -140.063 71.2658 78.0652 72.7335 62.4026 -186.584 -67.3721 -152.253 -102.689 PRESSAVG: 2750200 -17.0606 -13.1728 28.5883 -13.1729 -26.4434 -57.9614 28.5884 -57.9614 29.1835 GPRESSAVG: 2750200 -17.2197 -11.5687 29.2959 -14.9522 -28.1136 -57.2811 27.9049 -57.9843 30.5757 TIMING: 2750200 CPU: 8760.85, 0.00312152/step Wall: 8760.85, 0.00312152/step, 1.95078 hours remaining, 240.226562 MB of memory in use. ENERGY: 2750200 3959.1696 20496.0531 14520.1213 250.1228 -203348.6968 2619.2135 0.0000 0.0000 52077.7451 -109426.2714 299.2915 -161504.0165 -109058.5304 298.8445 -75.9378 -60.1165 763192.1298 -4.7735 -4.9192 PRESSURE: 2750400 266.21 -201.849 128.812 -201.848 -27.8801 3.42728 128.812 3.42802 520.123 GPRESSURE: 2750400 242.257 -152.019 90.4952 -212.546 73.2515 -14.1329 66.0709 -24.8519 541.532 PRESSAVG: 2750400 17.3223 -10.2455 38.7464 -10.2455 14.3211 -29.6476 38.7464 -29.6476 -28.6778 GPRESSAVG: 2750400 17.0893 -10.6376 37.7594 -10.7554 16.0573 -31.6275 37.9846 -28.2257 -30.368 TIMING: 2750400 CPU: 8761.47, 0.00312157/step Wall: 8761.47, 0.00312157/step, 1.95064 hours remaining, 240.226562 MB of memory in use. ENERGY: 2750400 3983.5790 20618.8514 14545.7333 249.6494 -203883.8398 3079.5391 0.0000 0.0000 52135.8036 -109270.6841 299.6252 -161406.4877 -108908.1466 299.4974 252.8174 285.6800 759988.5094 0.9885 0.9262 PRESSURE: 2750600 -35.3523 66.7435 -83.648 66.7444 12.5976 157.764 -83.6488 157.765 14.2138 GPRESSURE: 2750600 -25.5887 79.7318 24.6088 25.7908 17.5928 119.093 -108.071 149.126 66.2873 PRESSAVG: 2750600 47.136 -20.2628 10.7192 -20.2628 -14.4358 4.38265 10.7192 4.38258 -17.0338 GPRESSAVG: 2750600 46.9064 -18.7888 11.7141 -20.1734 -15.3667 4.60008 9.38799 3.02132 -15.5553 TIMING: 2750600 CPU: 8762.1, 0.00312733/step Wall: 8762.1, 0.00312733/step, 1.95406 hours remaining, 240.226562 MB of memory in use. ENERGY: 2750600 4079.0088 20558.7465 14526.8876 240.7579 -203436.0719 2527.7611 0.0000 0.0000 52465.9345 -109036.9755 301.5224 -161502.9100 -108676.5132 299.3822 -2.8470 19.4305 763314.4480 5.2221 5.3281 PRESSURE: 2750800 160.398 183.216 -111.947 183.217 -242.554 13.2332 -111.947 13.2344 -621.324 GPRESSURE: 2750800 133.137 122.076 -126.671 246.937 -289.315 -7.81807 -44.2465 31.7649 -476.496 PRESSAVG: 2750800 32.0749 37.7162 33.091 37.7162 -14.4478 -37.1259 33.091 -37.1259 3.24383 GPRESSAVG: 2750800 31.5722 37.9065 32.3641 38.2418 -14.6784 -36.6644 34.5324 -38.2152 3.82379 TIMING: 2750800 CPU: 8762.72, 0.00311905/step Wall: 8762.72, 0.00311905/step, 1.94872 hours remaining, 240.226562 MB of memory in use. ENERGY: 2750800 3995.5956 20698.7641 14563.9960 230.1035 -203106.8310 2372.6242 0.0000 0.0000 52260.2472 -108985.5003 300.3404 -161245.7476 -108616.9923 299.7755 -234.4933 -210.8914 762404.3382 6.9570 6.9059 PRESSURE: 2751000 20.714 -361.797 -27.804 -361.798 219.059 -36.6989 -27.8042 -36.6983 -1.28652 GPRESSURE: 2751000 86.1271 -267.26 41.7051 -338.361 248.748 -14.9782 11.9181 27.5779 -13.3844 PRESSAVG: 2751000 46.7657 -6.83846 6.81665 -6.83846 -25.7221 5.2239 6.81666 5.22398 -0.412116 GPRESSAVG: 2751000 46.8571 -6.94941 8.91614 -6.39581 -25.8625 6.18075 7.48792 5.68676 -0.17371 TIMING: 2751000 CPU: 8763.34, 0.00310242/step Wall: 8763.34, 0.00310242/step, 1.93815 hours remaining, 240.226562 MB of memory in use. ENERGY: 2751000 3983.1675 20486.8233 14535.1154 256.4239 -203804.5546 2915.2983 0.0000 0.0000 52229.5701 -109398.1561 300.1641 -161627.7262 -109033.8113 299.6217 79.4955 107.1636 761089.0405 6.8772 6.9403 PRESSURE: 2751200 -23.6277 -71.509 -41.4781 -71.5091 -44.2255 -52.795 -41.4781 -52.7943 355.012 GPRESSURE: 2751200 -7.14691 -129.216 -38.9357 -100.548 18.307 -101.626 -112.22 -41.7568 341.163 PRESSAVG: 2751200 3.62946 -40.6046 31.1089 -40.6046 11.0955 2.08943 31.1089 2.08939 -8.61988 GPRESSAVG: 2751200 4.04728 -41.2308 30.3798 -41.5114 12.677 0.833181 27.7111 1.36274 -9.94966 TIMING: 2751200 CPU: 8763.97, 0.00312977/step Wall: 8763.97, 0.00312977/step, 1.95506 hours remaining, 240.226562 MB of memory in use. ENERGY: 2751200 3958.8505 20504.7729 14534.2756 242.3523 -203566.7189 2741.8414 0.0000 0.0000 52079.0101 -109505.6160 299.2988 -161584.6261 -109137.9456 299.2828 95.7196 117.4409 761985.3990 2.0350 2.2582 PRESSURE: 2751400 202.968 64.5752 231.163 64.5758 -265.64 -139.32 231.163 -139.32 107.489 GPRESSURE: 2751400 156.376 155.412 244.765 -87.4237 -189.024 -143.278 230.911 -121.955 167.853 PRESSAVG: 2751400 23.8776 45.6951 15.0515 45.695 22.9888 -54.0382 15.0515 -54.0382 -34.0669 GPRESSAVG: 2751400 24.0179 44.7124 13.6325 44.1534 22.084 -53.7842 16.443 -55.6881 -32.8358 TIMING: 2751400 CPU: 8764.59, 0.00310572/step Wall: 8764.59, 0.00310572/step, 1.93987 hours remaining, 240.226562 MB of memory in use. ENERGY: 2751400 3992.8352 20570.3504 14620.6358 218.6414 -203595.2860 2442.3775 0.0000 0.0000 52177.0508 -109573.3949 299.8622 -161750.4457 -109212.8966 298.8885 14.9390 45.0687 761070.0717 4.2665 4.4220 PRESSURE: 2751600 -22.7885 105.417 -146.034 105.417 -101.863 -189.068 -146.034 -189.067 -414.077 GPRESSURE: 2751600 10.2725 67.6441 -142.834 186.318 -78.4409 -187.823 -59.8132 -134.682 -392.704 PRESSAVG: 2751600 -23.5125 32.7801 50.8241 32.78 0.149321 -38.8842 50.8241 -38.8842 4.20104 GPRESSAVG: 2751600 -23.7171 32.2072 50.3256 35.419 0.91228 -38.0979 53.0906 -36.9934 3.27007 TIMING: 2751600 CPU: 8765.21, 0.00310697/step Wall: 8765.21, 0.00310697/step, 1.94048 hours remaining, 240.226562 MB of memory in use. ENERGY: 2751600 3989.6189 20564.3390 14609.0758 232.8723 -203332.9186 2431.9869 0.0000 0.0000 52110.0232 -109395.0026 299.4770 -161505.0258 -109027.0820 299.5436 -179.5763 -153.6242 761086.3460 -6.3874 -6.5116 PRESSURE: 2751800 -274.738 -161.827 50.589 -161.826 79.0802 -141.166 50.5881 -141.166 25.1391 GPRESSURE: 2751800 -210.375 36.2257 89.9985 -165.822 29.4231 -133.88 -7.88406 -89.4819 99.2418 PRESSAVG: 2751800 -3.64109 11.0741 74.2553 11.0741 23.1777 -13.12 74.2553 -13.12 11.0625 GPRESSAVG: 2751800 -2.67569 13.4867 75.6654 10.5397 22.0834 -14.4145 72.5685 -12.8865 11.9639 TIMING: 2751800 CPU: 8765.83, 0.00311021/step Wall: 8765.83, 0.00311021/step, 1.94233 hours remaining, 240.226562 MB of memory in use. ENERGY: 2751800 3962.1750 20632.6184 14596.4961 241.3200 -203162.9044 2375.4796 0.0000 0.0000 52009.3060 -109345.5093 298.8982 -161354.8153 -108985.9511 299.3513 -56.8397 -27.2367 760431.2308 10.1997 10.4572 PRESSURE: 2752000 144.214 30.2615 -139.017 30.2616 272.931 288.013 -139.017 288.013 148.66 GPRESSURE: 2752000 125.814 159.492 -180.737 -18.4838 322.119 222.895 -15.9771 257.574 166.394 PRESSAVG: 2752000 6.0827 12.7196 31.8966 12.7195 30.5286 30.9206 31.8966 30.9207 -4.25995 GPRESSAVG: 2752000 4.9206 12.0738 31.6191 12.2278 32.4361 31.6083 32.1262 28.8517 -5.54977 TIMING: 2752000 CPU: 8766.46, 0.00312538/step Wall: 8766.46, 0.00312538/step, 1.95163 hours remaining, 240.226562 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: 2752000 3970.4933 20666.3168 14599.4251 234.7418 -203621.0535 2722.2974 0.0000 0.0000 51938.3122 -109489.4669 298.4902 -161427.7791 -109138.9549 299.5308 188.6017 204.7756 760089.7037 10.7838 10.6023 PRESSURE: 2752200 -133.299 230.626 -24.924 230.626 30.7765 -200.289 -24.9235 -200.289 143.469 GPRESSURE: 2752200 -192.174 271.174 35.4194 123.796 109.307 -206.528 -106.15 -172.005 193.986 PRESSAVG: 2752200 -53.0059 18.6749 18.2555 18.6749 85.6821 -5.73254 18.2555 -5.73257 -18.3994 GPRESSAVG: 2752200 -53.3095 19.4684 18.613 17.2677 85.316 -4.91386 18.7971 -4.40293 -17.8071 TIMING: 2752200 CPU: 8767.08, 0.00311869/step Wall: 8767.08, 0.00311869/step, 1.94728 hours remaining, 240.226562 MB of memory in use. ENERGY: 2752200 3978.9955 20544.0225 14638.4355 269.9086 -203521.7919 2534.6241 0.0000 0.0000 52264.7805 -109291.0253 300.3664 -161555.8057 -108936.6890 299.2688 13.6486 37.0397 760347.2081 4.7589 4.7331 LDB: ============= START OF LOAD BALANCING ============== 8779.53 LDB: ============== END OF LOAD BALANCING =============== 8779.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8779.53 LDB: ============= START OF LOAD BALANCING ============== 8779.84 LDB: Largest compute 7031 load 0.032371 is 16.6% of average load 0.195496 LDB: Average compute 0.004368 is 2.2% of average load 0.195496 LDB: TIME 8779.85 LOAD: AVG 0.195496 MAX 0.215986 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.57 MB LDB: TIME 8779.85 LOAD: AVG 0.195496 MAX 0.215986 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.57 MB LDB: TIME 8779.85 LOAD: AVG 0.195496 MAX 0.215986 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.57 MB LDB: ============== END OF LOAD BALANCING =============== 8779.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8779.85 PRESSURE: 2752400 -72.3098 8.51659 248.408 8.51678 -429.67 -75.6596 248.409 -75.6594 -35.969 GPRESSURE: 2752400 -63.207 66.3722 237.874 14.0399 -342.212 -100.908 273.271 -47.6801 -45.6407 PRESSAVG: 2752400 36.3481 38.2972 21.0153 38.2972 23.7726 -36.2951 21.0153 -36.295 11.0462 GPRESSAVG: 2752400 36.8659 36.6999 19.008 40.9978 23.9955 -36.195 21.9034 -35.5947 10.4482 TIMING: 2752400 CPU: 8767.72, 0.00318728/step Wall: 8767.72, 0.00318727/step, 1.98992 hours remaining, 240.347656 MB of memory in use. ENERGY: 2752400 4011.6939 20359.6145 14587.9619 240.4750 -203370.5636 2560.0168 0.0000 0.0000 52193.0101 -109417.7913 299.9539 -161610.8014 -109048.1210 298.9143 -179.3162 -150.3532 761354.0799 23.7223 23.7699 PRESSURE: 2752600 -143.632 156.322 -175.419 156.32 -111.882 -28.833 -175.419 -28.8324 30.2962 GPRESSURE: 2752600 -91.2866 149.829 -217.26 205.953 -83.1185 -36.4534 -188.359 -72.1316 38.7363 PRESSAVG: 2752600 10.6198 5.7 -6.60983 5.70003 21.2951 10.7809 -6.6099 10.7809 -3.46704 GPRESSAVG: 2752600 10.5436 5.96815 -6.02572 6.99829 21.7642 10.2727 -7.16118 12.1059 -3.59409 TIMING: 2752600 CPU: 8768.34, 0.0031006/step Wall: 8768.34, 0.0031006/step, 1.93564 hours remaining, 240.347656 MB of memory in use. ENERGY: 2752600 3977.3270 20417.5773 14551.4966 250.3869 -203133.4989 2233.1431 0.0000 0.0000 52171.9838 -109531.5842 299.8331 -161703.5680 -109163.3521 299.4089 -75.0728 -45.2229 761370.7188 9.4826 9.5713 PRESSURE: 2752800 -317.83 138.208 93.931 138.209 -180.189 145.272 93.9301 145.272 -179.283 GPRESSURE: 2752800 -210.397 186.593 142.163 144.584 -139.238 118.145 102.244 270.486 -245.445 PRESSAVG: 2752800 -22.1465 71.93 -11.6152 71.9301 -15.6974 38.5445 -11.6152 38.5446 -11.5608 GPRESSAVG: 2752800 -21.2708 71.8791 -9.85136 71.0748 -15.8148 38.3204 -12.1868 38.4443 -11.8717 TIMING: 2752800 CPU: 8768.97, 0.00314865/step Wall: 8768.97, 0.00314865/step, 1.96546 hours remaining, 240.347656 MB of memory in use. ENERGY: 2752800 3984.1229 20570.8816 14615.1974 223.9453 -203689.8131 2779.2227 0.0000 0.0000 51865.4777 -109650.9656 298.0716 -161516.4433 -109285.1397 298.7795 -225.7671 -198.3601 760966.2651 -16.4682 -16.3191 PRESSURE: 2753000 160.631 290.542 -51.2212 290.542 -74.6003 -167.166 -51.2206 -167.166 250.923 GPRESSURE: 2753000 157.739 321.938 -7.97978 247.567 -16.4382 -147.865 -40.8218 -206.462 266.692 PRESSAVG: 2753000 27.9484 21.2664 32.2709 21.2665 -3.62405 73.8485 32.271 73.8485 -0.117311 GPRESSAVG: 2753000 28.0106 21.6201 32.4679 21.244 -3.94041 74.4101 31.4284 72.0827 0.186159 TIMING: 2753000 CPU: 8769.59, 0.00311285/step Wall: 8769.59, 0.00311285/step, 1.94294 hours remaining, 240.347656 MB of memory in use. ENERGY: 2753000 3990.6077 20417.3205 14607.8569 237.8478 -203140.6882 2258.4521 0.0000 0.0000 51871.7051 -109756.8980 298.1074 -161628.6031 -109388.2165 298.8525 112.3177 135.9975 761326.7697 8.0690 8.0854 PRESSURE: 2753200 67.8311 48.9654 71.2063 48.9649 108.065 -22.888 71.2076 -22.8862 435.449 GPRESSURE: 2753200 161.936 -51.0222 82.4654 12.5363 92.9618 -7.46745 39.3751 60.9824 455.075 PRESSAVG: 2753200 36.5406 43.9904 -14.404 43.9904 -30.1476 43.445 -14.4041 43.4449 -0.0505726 GPRESSAVG: 2753200 36.8026 44.7063 -14.8721 42.2007 -31.6347 42.5765 -13.2805 43.6252 0.852285 TIMING: 2753200 CPU: 8770.21, 0.00309283/step Wall: 8770.21, 0.00309283/step, 1.93027 hours remaining, 240.347656 MB of memory in use. ENERGY: 2753200 3951.4411 20415.0220 14562.0131 242.3448 -203736.3863 2508.4386 0.0000 0.0000 52296.5197 -109760.6070 300.5488 -162057.1267 -109396.6008 298.5961 203.7815 236.6576 761414.9169 2.1141 2.0067 PRESSURE: 2753400 -396.274 -50.2531 72.198 -50.2528 98.8245 -45.9705 72.1972 -45.9703 236.977 GPRESSURE: 2753400 -334.496 -49.7688 93.3156 -120.565 62.4443 -10.4989 70.4952 -12.2658 272.51 PRESSAVG: 2753400 -0.0192025 9.61795 -39.3714 9.61786 -63.7901 73.421 -39.3714 73.4211 -18.7495 GPRESSAVG: 2753400 0.375954 8.20491 -41.3854 7.90501 -63.3778 75.9288 -39.4242 73.9028 -19.1994 TIMING: 2753400 CPU: 8770.83, 0.00308683/step Wall: 8770.83, 0.00308683/step, 1.92635 hours remaining, 240.347656 MB of memory in use. ENERGY: 2753400 4055.2825 20625.8979 14588.4128 253.1816 -203717.8410 2428.9816 0.0000 0.0000 52190.0631 -109576.0215 299.9370 -161766.0846 -109213.5380 299.2309 -20.1576 0.1529 761438.8377 -27.5196 -27.4004 PRESSURE: 2753600 -13.0073 -104.418 216.561 -104.418 80.9353 110.275 216.561 110.275 8.08123 GPRESSURE: 2753600 73.4848 -145.173 152.416 -19.6763 119.788 31.8238 237.796 41.3966 -16.4461 PRESSAVG: 2753600 11.7496 37.7777 30.9769 37.7777 10.677 39.86 30.977 39.8599 -1.42986 GPRESSAVG: 2753600 11.6384 38.6432 31.2838 40.1235 11.0039 37.7096 31.6725 40.7963 -1.16605 TIMING: 2753600 CPU: 8771.44, 0.00309308/step Wall: 8771.44, 0.00309308/step, 1.93008 hours remaining, 240.347656 MB of memory in use. ENERGY: 2753600 3989.7887 20393.3749 14561.8210 248.0483 -204138.8394 2734.3173 0.0000 0.0000 52574.3781 -109637.1112 302.1457 -162211.4893 -109257.3875 298.7884 25.3364 58.9422 758250.1318 6.9989 7.1587 PRESSURE: 2753800 302.871 114.585 -78.8569 114.585 25.9195 -181.438 -78.8578 -181.438 -77.645 GPRESSURE: 2753800 311.358 0.222576 -29.2433 165.548 59.9541 -271.678 -161.805 -114.648 -27.426 PRESSAVG: 2753800 16.2652 -0.532379 31.8583 -0.532405 -8.32823 13.2839 31.8583 13.2839 -9.86259 GPRESSAVG: 2753800 15.7389 -1.94729 32.7616 0.402428 -7.88055 13.4604 30.9406 10.3948 -10.0273 TIMING: 2753800 CPU: 8772.07, 0.00311554/step Wall: 8772.07, 0.00311554/step, 1.94393 hours remaining, 240.347656 MB of memory in use. ENERGY: 2753800 3975.7295 20512.4457 14516.5130 260.9616 -203266.7732 2430.4137 0.0000 0.0000 51889.7353 -109680.9743 298.2110 -161570.7096 -109321.4844 298.8883 83.7151 114.6287 759800.7264 -0.6419 -0.7230 PRESSURE: 2754000 156.167 208.015 89.7944 208.014 -62.8028 125.489 89.7953 125.489 -188.143 GPRESSURE: 2754000 142.053 62.1209 138.375 229.405 91.0847 171.291 -13.238 184.528 -249.343 PRESSAVG: 2754000 -1.3028 46.5634 -22.1732 46.5634 -1.45381 3.19262 -22.1732 3.19259 28.4221 GPRESSAVG: 2754000 -1.69093 46.2737 -20.5782 46.0774 -1.01912 3.97408 -24.323 3.95175 28.3935 TIMING: 2754000 CPU: 8772.69, 0.00310214/step Wall: 8772.69, 0.00310214/step, 1.93539 hours remaining, 240.347656 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: 2754000 4004.6459 20708.7186 14565.4265 253.3854 -203505.3500 2545.7522 0.0000 0.0000 51926.6419 -109500.7794 298.4231 -161427.4214 -109144.1188 298.9088 -31.5930 -5.4020 759130.5859 8.5552 8.5612 PRESSURE: 2754200 54.9274 -76.8334 319.478 -76.8326 65.7101 154.938 319.478 154.938 96.3909 GPRESSURE: 2754200 113.898 -86.4347 171.203 -54.7272 64.013 183.88 347.081 58.6949 121.697 PRESSAVG: 2754200 50.9276 41.0062 56.0721 41.0062 32.9463 58.4701 56.0721 58.4701 -3.77913 GPRESSAVG: 2754200 50.7718 41.2754 52.66 39.6958 31.5653 57.5706 57.8527 58.1658 -2.17951 TIMING: 2754200 CPU: 8773.31, 0.00311262/step Wall: 8773.31, 0.00311262/step, 1.94176 hours remaining, 240.347656 MB of memory in use. ENERGY: 2754200 4008.9890 20570.8960 14596.8878 285.6804 -203570.1119 2690.0242 0.0000 0.0000 52087.9984 -109329.6362 299.3504 -161417.6346 -108955.9954 299.2090 72.3428 99.8693 759784.1167 26.6983 26.7192 PRESSURE: 2754400 -173.108 263.636 20.7526 263.637 5.8686 64.5347 20.752 64.5334 290.813 GPRESSURE: 2754400 -144.982 104.049 45.2765 233.943 92.5389 29.6524 -37.289 76.497 245.543 PRESSAVG: 2754400 -2.62937 10.3873 40.3997 10.3872 20.3096 19.6981 40.3997 19.698 1.94503 GPRESSAVG: 2754400 -1.65813 10.9334 40.7555 10.5173 21.095 18.9909 40.0647 19.7405 0.155642 TIMING: 2754400 CPU: 8773.93, 0.00310243/step Wall: 8773.93, 0.00310243/step, 1.93523 hours remaining, 240.347656 MB of memory in use. ENERGY: 2754400 3908.2620 20577.3659 14522.4497 244.4820 -203530.8112 2821.4728 0.0000 0.0000 52180.4128 -109276.3661 299.8815 -161456.7789 -108903.5234 299.3436 41.1912 64.3665 760312.3023 6.5418 6.5308 PRESSURE: 2754600 -199.789 -146.567 307.707 -146.567 -37.5028 -48.2322 307.706 -48.2318 -177.222 GPRESSURE: 2754600 -147.861 -198.613 260.624 -197.714 -23.1065 -74.067 304.409 -53.4901 -183.26 PRESSAVG: 2754600 10.1157 -16.2978 52.1504 -16.2978 22.5389 21.0061 52.1504 21.0061 2.69608 GPRESSAVG: 2754600 8.1638 -17.0954 54.0555 -14.3577 23.3488 22.5114 52.9648 20.751 3.95312 TIMING: 2754600 CPU: 8774.55, 0.00309357/step Wall: 8774.55, 0.00309357/step, 1.92953 hours remaining, 240.347656 MB of memory in use. ENERGY: 2754600 4026.5563 20683.4512 14512.8058 254.1449 -202980.5596 2286.5825 0.0000 0.0000 52153.6919 -109063.3270 299.7280 -161217.0189 -108703.7007 299.4168 -138.1710 -118.0761 761518.9966 11.7836 11.8219 PRESSURE: 2754800 174.652 -57.974 -71.7394 -57.9731 -3.30451 -120.691 -71.7393 -120.69 -72.0242 GPRESSURE: 2754800 240.98 -42.6557 11.9225 17.7096 -35.2631 -99.5343 -15.1156 -144.492 -16.9635 PRESSAVG: 2754800 -11.0862 -67.5452 10.8299 -67.5452 -2.61258 -2.31528 10.8299 -2.31523 5.78974 GPRESSAVG: 2754800 -9.40608 -66.5155 10.1112 -68.9008 -2.76146 -4.1055 9.07183 -1.26118 5.2592 TIMING: 2754800 CPU: 8775.17, 0.00311209/step Wall: 8775.17, 0.00311209/step, 1.94091 hours remaining, 240.347656 MB of memory in use. ENERGY: 2754800 3947.1522 20512.7260 14505.3326 263.0021 -203154.1012 2707.2619 0.0000 0.0000 52303.6372 -108914.9892 300.5897 -161218.6264 -108535.0696 300.2270 33.1076 62.9177 763755.7847 -2.6364 -2.3028 PRESSURE: 2755000 -377.099 -28.2611 141.547 -28.2607 194.015 -23.0263 141.547 -23.0265 116.322 GPRESSURE: 2755000 -275.731 26.1898 131.586 15.5755 192.484 38.6867 141.203 -52.6045 100.993 PRESSAVG: 2755000 2.49453 2.96923 21.6532 2.96925 -26.9777 -18.808 21.6532 -18.8081 -19.7704 GPRESSAVG: 2755000 3.15527 4.28622 21.3393 2.87405 -26.7769 -18.8504 21.8511 -18.634 -20.0948 TIMING: 2755000 CPU: 8775.79, 0.00311237/step Wall: 8775.79, 0.00311237/step, 1.94091 hours remaining, 240.347656 MB of memory in use. ENERGY: 2755000 3990.5836 20563.8127 14527.3896 237.6988 -203019.7991 2504.5789 0.0000 0.0000 52222.8385 -108972.8969 300.1254 -161195.7354 -108603.6691 300.4663 -22.2542 5.9155 761379.0499 -14.7512 -14.5721 PRESSURE: 2755200 182.741 36.648 -176.077 36.6486 66.1818 13.5314 -176.077 13.5308 106.463 GPRESSURE: 2755200 230.635 -20.4226 -146.91 89.4703 61.0733 62.7395 -146.482 134.567 127.855 PRESSAVG: 2755200 34.6197 8.53894 -11.1514 8.53898 -18.4877 21.7455 -11.1514 21.7456 12.2213 GPRESSAVG: 2755200 33.818 7.73419 -10.8116 8.36364 -18.3671 23.1264 -10.2622 22.4365 12.7478 TIMING: 2755200 CPU: 8776.42, 0.00310116/step Wall: 8776.42, 0.00310116/step, 1.93375 hours remaining, 240.347656 MB of memory in use. ENERGY: 2755200 3964.7727 20639.2119 14582.3353 269.6507 -203081.7088 2613.7222 0.0000 0.0000 51890.3527 -109121.6633 298.2146 -161012.0160 -108758.7395 300.1933 118.4620 139.8546 762224.1200 9.4511 9.3996 PRESSURE: 2755400 79.5698 10.3028 249.872 10.3025 -29.8795 51.7788 249.871 51.7787 428.517 GPRESSURE: 2755400 76.9002 79.0491 221.705 117.018 74.6406 14.361 89.0291 8.8735 392.142 PRESSAVG: 2755400 13.1853 30.1723 -13.1791 30.1723 -36.3999 -37.865 -13.1791 -37.8651 -9.0667 GPRESSAVG: 2755400 13.7455 30.4193 -12.6401 31.6359 -36.0895 -37.455 -13.7089 -39.497 -9.89065 TIMING: 2755400 CPU: 8777.03, 0.00308989/step Wall: 8777.03, 0.00308989/step, 1.92654 hours remaining, 240.347656 MB of memory in use. ENERGY: 2755400 4020.0542 20554.8826 14524.0029 256.0110 -203415.2387 2756.0000 0.0000 0.0000 52161.3034 -109142.9845 299.7717 -161304.2879 -108779.5002 299.5721 159.4026 181.2275 760287.1888 -10.7604 -10.7449 PRESSURE: 2755600 192.547 -235.135 123.226 -235.135 226.927 -144.989 123.226 -144.989 67.259 GPRESSURE: 2755600 165.792 -192.319 211.78 -188.597 230.242 -157.846 112.384 -16.979 171.962 PRESSAVG: 2755600 74.9541 15 8.08598 15 -21.407 10.2323 8.08603 10.2322 10.3533 GPRESSAVG: 2755600 74.0517 14.0074 7.69935 14.562 -22.0192 8.53689 7.91379 10.2645 11.3242 TIMING: 2755600 CPU: 8777.65, 0.00309927/step Wall: 8777.65, 0.00309927/step, 1.93222 hours remaining, 240.347656 MB of memory in use. ENERGY: 2755600 3991.4229 20591.1085 14531.6411 261.6414 -203310.1780 2874.4649 0.0000 0.0000 51973.4045 -109086.4949 298.6919 -161059.8994 -108723.2358 300.1555 162.2443 189.3321 763419.5663 21.3001 21.1189 PRESSURE: 2755800 149.131 42.3776 -14.1136 42.3774 -1.13448 -30.8543 -14.113 -30.854 47.2058 GPRESSURE: 2755800 183.919 91.75 -17.7838 -6.75266 32.3281 -50.7151 -10.3881 -132.018 64.277 PRESSAVG: 2755800 -5.12374 29.1433 14.3789 29.1433 20.3478 6.60978 14.3788 6.60978 6.69179 GPRESSAVG: 2755800 -2.99353 31.3137 15.9774 27.6642 19.1898 7.91654 13.1131 5.8153 5.88565 TIMING: 2755800 CPU: 8778.27, 0.00310095/step Wall: 8778.27, 0.00310095/step, 1.9331 hours remaining, 240.347656 MB of memory in use. ENERGY: 2755800 4039.6898 20601.4910 14595.8211 242.5132 -203602.6488 2857.9395 0.0000 0.0000 52238.7300 -109026.4644 300.2167 -161265.1943 -108654.5876 300.0779 65.0676 93.5079 763567.8643 7.3053 7.3607 PRESSURE: 2756000 -445.903 152.005 160.397 152.003 -286.893 -42.8086 160.397 -42.8089 -296.416 GPRESSURE: 2756000 -403.14 93.9478 195.547 104.53 -262.236 -116.08 44.9386 0.574023 -269.043 PRESSAVG: 2756000 16.3239 0.248853 42.2239 0.248869 -11.2097 -41.1379 42.2239 -41.1379 -19.6106 GPRESSAVG: 2756000 14.667 0.0333892 41.3977 1.78765 -9.42783 -40.536 46.4038 -42.1506 -19.0064 TIMING: 2756000 CPU: 8778.9, 0.00311435/step Wall: 8778.9, 0.00311435/step, 1.94128 hours remaining, 240.347656 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: 2756000 4093.2389 20659.3663 14538.3469 243.8444 -203374.1597 2772.2620 0.0000 0.0000 52005.1452 -109061.9562 298.8743 -161067.1014 -108706.9483 300.2115 -343.0706 -311.4732 764348.4040 -4.8321 -4.5891 PRESSURE: 2756200 -35.7998 138.487 -40.0242 138.487 78.4614 -47.5006 -40.0247 -47.5004 -135.761 GPRESSURE: 2756200 15.2507 63.0017 112.561 175.848 133.17 -126.656 32.0827 -15.1149 -151.173 PRESSAVG: 2756200 -17.0291 -8.22702 14.0263 -8.22699 2.72174 -6.92311 14.0263 -6.92319 -13.8719 GPRESSAVG: 2756200 -16.8211 -8.23273 12.8113 -9.00901 2.51913 -8.88156 12.8522 -5.04008 -14.037 TIMING: 2756200 CPU: 8779.52, 0.00311132/step Wall: 8779.52, 0.00311132/step, 1.93922 hours remaining, 240.347656 MB of memory in use. ENERGY: 2756200 3892.0114 20449.6465 14523.7651 265.6106 -203755.0919 2967.4455 0.0000 0.0000 52280.5084 -109376.1043 300.4568 -161656.6127 -109006.7951 299.7321 -31.0331 -0.9175 763528.9178 -9.3931 -9.4463 LDB: ============= START OF LOAD BALANCING ============== 8791.97 LDB: ============== END OF LOAD BALANCING =============== 8791.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8791.97 LDB: ============= START OF LOAD BALANCING ============== 8792.28 LDB: Largest compute 7070 load 0.032198 is 16.5% of average load 0.195489 LDB: Average compute 0.004375 is 2.2% of average load 0.195489 LDB: TIME 8792.28 LOAD: AVG 0.195489 MAX 0.214331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 8792.28 LOAD: AVG 0.195489 MAX 0.214331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: TIME 8792.28 LOAD: AVG 0.195489 MAX 0.214331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: ============== END OF LOAD BALANCING =============== 8792.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8792.29 PRESSURE: 2756400 483.496 -65.7182 114.54 -65.7179 -26.3312 95.4696 114.54 95.4691 -41.1452 GPRESSURE: 2756400 405.35 -12.2126 88.3929 -94.9825 139.508 160.393 -58.9647 42.3811 -22.1268 PRESSAVG: 2756400 -15.5488 9.25358 51.8382 9.25354 -4.96068 26.3707 51.8382 26.3708 -9.91875 GPRESSAVG: 2756400 -16.5855 9.35716 52.9579 8.99233 -3.81505 28.5837 49.3037 25.3429 -10.5708 TIMING: 2756400 CPU: 8780.15, 0.00317881/step Wall: 8780.15, 0.0031788/step, 1.9811 hours remaining, 241.949219 MB of memory in use. ENERGY: 2756400 4013.5690 20463.0810 14507.5138 230.4265 -203562.6860 2808.4990 0.0000 0.0000 52100.1068 -109439.4899 299.4200 -161539.5967 -109071.9535 299.2986 138.6732 174.2437 761816.3356 -10.1428 -10.3238 PRESSURE: 2756600 446.156 -121.916 -225.87 -121.917 253.082 -12.0436 -225.87 -12.0433 323.158 GPRESSURE: 2756600 521.252 -55.3794 -184.625 -83.3111 324.904 17.949 -255.13 70.747 270.786 PRESSAVG: 2756600 -5.00616 2.83441 29.7363 2.83436 4.46952 26.0317 29.7364 26.0317 6.87423 GPRESSAVG: 2756600 -5.07073 -0.978416 29.3826 2.85796 4.12055 24.4371 29.5434 27.0475 7.27173 TIMING: 2756600 CPU: 8780.77, 0.00309078/step Wall: 8780.77, 0.00309078/step, 1.92607 hours remaining, 241.949219 MB of memory in use. ENERGY: 2756600 3988.0432 20510.5039 14484.8302 249.7099 -204166.2920 3087.1806 0.0000 0.0000 52381.4284 -109464.5959 301.0368 -161846.0242 -109105.0797 299.6162 340.7989 372.3142 760797.2844 2.1125 2.1072 PRESSURE: 2756800 -191.514 -114.229 -5.54564 -114.229 47.6189 -192.889 -5.5468 -192.89 70.1144 GPRESSURE: 2756800 -238.871 -68.6018 -120.494 -104.938 64.2222 -278.177 123.348 -18.0929 187.001 PRESSAVG: 2756800 4.02771 32.7864 -10.6887 32.7863 -32.1764 26.6393 -10.6888 26.6393 4.91098 GPRESSAVG: 2756800 5.40583 34.8475 -10.3507 33.4561 -34.4064 26.0429 -7.95634 27.4537 5.50894 TIMING: 2756800 CPU: 8781.39, 0.00311112/step Wall: 8781.39, 0.00311112/step, 1.93857 hours remaining, 241.949219 MB of memory in use. ENERGY: 2756800 4040.2645 20673.1997 14502.9489 241.0829 -203791.0265 2852.4538 0.0000 0.0000 52201.9016 -109279.1752 300.0050 -161481.0768 -108924.5904 299.7686 -24.5936 4.1175 763017.2346 -7.7459 -7.8306 PRESSURE: 2757000 -186.219 16.9864 134.275 16.9864 -347.588 -198.377 134.275 -198.377 -153.392 GPRESSURE: 2757000 -180.839 -67.039 160.031 -45.3681 -290.857 -152.691 134.289 -241.497 -125.005 PRESSAVG: 2757000 -52.404 22.6371 22.9811 22.6371 73.7653 -25.8786 22.9811 -25.8786 -24.694 GPRESSAVG: 2757000 -54.3384 24.2611 20.5783 21.0253 74.8263 -25.5079 22.9394 -26.7901 -24.8895 TIMING: 2757000 CPU: 8782.01, 0.00308941/step Wall: 8782.01, 0.00308941/step, 1.92487 hours remaining, 241.949219 MB of memory in use. ENERGY: 2757000 3966.3636 20543.7801 14389.5569 255.4536 -203426.6824 2536.9047 0.0000 0.0000 52240.1630 -109494.4605 300.2249 -161734.6235 -109134.5174 299.3452 -229.0661 -198.9004 762258.0056 -1.1109 -1.4672 PRESSURE: 2757200 41.0074 -11.2015 -30.6041 -11.2015 -13.9627 -85.9094 -30.604 -85.9104 0.937374 GPRESSURE: 2757200 67.568 -47.3407 19.7112 -80.2134 36.5186 -153.454 -5.98891 -137.797 21.2427 PRESSAVG: 2757200 -31.1107 -58.9748 9.50205 -58.9748 2.37893 -67.9484 9.50209 -67.9484 12.1458 GPRESSAVG: 2757200 -30.3415 -58.8028 10.9455 -58.3461 1.86891 -69.5545 9.03913 -67.9497 11.7709 TIMING: 2757200 CPU: 8782.63, 0.0030816/step Wall: 8782.63, 0.0030816/step, 1.91984 hours remaining, 241.949219 MB of memory in use. ENERGY: 2757200 3994.2140 20365.2768 14471.8479 253.3606 -203405.9576 2799.6238 0.0000 0.0000 52056.7328 -109464.9016 299.1708 -161521.6344 -109102.6983 299.3248 9.3274 41.7764 762311.6726 -5.5286 -5.5672 PRESSURE: 2757400 -423.717 -129.057 -125.021 -129.057 -466.738 -66.6701 -125.022 -66.6679 7.52859 GPRESSURE: 2757400 -405.926 -63.3553 -96.0691 -111.15 -343.732 -60.3167 -125.112 -1.11182 -21.8798 PRESSAVG: 2757400 14.9878 -64.04 7.36026 -64.04 16.5209 -8.15223 7.36027 -8.15225 -22.9693 GPRESSAVG: 2757400 15.2361 -65.3488 6.77513 -64.0095 16.2115 -7.3003 6.68678 -8.32044 -22.179 TIMING: 2757400 CPU: 8783.25, 0.00309513/step Wall: 8783.25, 0.00309513/step, 1.9281 hours remaining, 241.949219 MB of memory in use. ENERGY: 2757400 4044.1059 20411.3747 14539.9377 244.9780 -202992.5910 2269.9948 0.0000 0.0000 52308.9544 -109173.2455 300.6203 -161482.1999 -108816.0129 299.2149 -294.3089 -257.1794 760026.2676 2.8464 3.0895 PRESSURE: 2757600 -35.4708 90.1953 71.7345 90.1956 205.667 100.401 71.7348 100.402 -120.765 GPRESSURE: 2757600 -6.6516 127.072 52.6942 92.4687 223.862 22.224 136.47 10.5429 -90.4224 PRESSAVG: 2757600 -26.3922 -3.7929 -0.187582 -3.79294 35.9815 -16.8084 -0.187552 -16.8084 5.17395 GPRESSAVG: 2757600 -27.5223 -4.45648 -0.34195 0.222186 37.823 -16.6489 0.705795 -18.8351 4.81967 TIMING: 2757600 CPU: 8783.87, 0.00311011/step Wall: 8783.87, 0.00311011/step, 1.93725 hours remaining, 241.949219 MB of memory in use. ENERGY: 2757600 4011.2540 20498.5665 14507.7406 263.9700 -203108.2039 2461.7717 0.0000 0.0000 52287.2666 -109077.6345 300.4956 -161364.9011 -108723.2374 300.3206 16.4772 42.2628 760585.5184 4.9211 5.0401 PRESSURE: 2757800 -192.581 7.28961 -40.4673 7.2895 -247.37 -198.49 -40.4675 -198.49 -255.277 GPRESSURE: 2757800 -168.152 29.2117 107.562 -0.609054 -119.427 -245.263 -235.589 -19.8561 -334.171 PRESSAVG: 2757800 -7.1793 -48.1204 -16.0629 -48.1204 49.8564 -12.2903 -16.0629 -12.2904 -10.7725 GPRESSAVG: 2757800 -7.34309 -46.2826 -14.1952 -51.1002 48.6965 -13.3357 -16.0602 -8.44832 -9.61915 TIMING: 2757800 CPU: 8784.49, 0.0030904/step Wall: 8784.49, 0.0030904/step, 1.9248 hours remaining, 241.949219 MB of memory in use. ENERGY: 2757800 3966.2906 20652.6363 14554.8008 248.2102 -203009.1054 2418.6217 0.0000 0.0000 52033.2081 -109135.3377 299.0356 -161168.5458 -108765.1520 300.1732 -231.7429 -207.2498 761701.2732 10.6349 10.5781 PRESSURE: 2758000 -311.864 145.276 139.972 145.276 -149.655 -191.304 139.972 -191.305 -254.376 GPRESSURE: 2758000 -225.899 104.922 76.2775 168.651 -63.6382 -189.963 130.536 -50.6041 -339.427 PRESSAVG: 2758000 -24.9532 -30.2266 37.0527 -30.2266 -8.40514 42.6541 37.0527 42.6542 0.955297 GPRESSAVG: 2758000 -23.0438 -29.9967 35.5253 -31.4178 -8.78136 43.5397 35.9845 40.5341 -0.307796 TIMING: 2758000 CPU: 8785.11, 0.00311049/step Wall: 8785.11, 0.00311049/step, 1.93715 hours remaining, 241.949219 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: 2758000 3909.0141 20525.9557 14552.8591 234.7683 -203326.8581 2649.2989 0.0000 0.0000 52351.6509 -109103.3110 300.8657 -161454.9618 -108728.6835 300.1495 -238.6321 -209.6550 762530.2483 -10.8010 -10.7110 PRESSURE: 2758200 -287.125 -7.53496 -151.536 -7.53549 -148.443 116.945 -151.535 116.945 -133.213 GPRESSURE: 2758200 -278.576 47.8018 -132.421 -65.7525 -64.7007 132.995 -124.644 35.0192 -121.825 PRESSAVG: 2758200 -45.8222 -29.0241 24.3867 -29.024 60.7177 33.6805 24.3866 33.6805 -13.7928 GPRESSAVG: 2758200 -46.812 -29.6578 23.8191 -29.3202 61.5285 34.9408 24.8751 34.4387 -13.6417 TIMING: 2758200 CPU: 8785.73, 0.00310236/step Wall: 8785.73, 0.00310236/step, 1.93191 hours remaining, 241.949219 MB of memory in use. ENERGY: 2758200 3992.6968 20463.9402 14499.0226 246.8249 -203089.3847 2535.6055 0.0000 0.0000 52117.1636 -109234.1310 299.5181 -161351.2945 -108859.1368 300.0304 -189.5939 -155.0339 763189.9262 0.3676 0.3583 PRESSURE: 2758400 -138.251 9.41135 -82.8759 9.41125 -189.334 -65.6158 -82.8758 -65.6172 23.6017 GPRESSURE: 2758400 -99.0368 11.0232 -30.304 -31.2192 -104.763 -61.3832 1.02965 -33.3374 -19.8857 PRESSAVG: 2758400 -41.7311 -75.7695 -28.7735 -75.7694 73.8227 -39.8255 -28.7734 -39.8257 5.48159 GPRESSAVG: 2758400 -42.0051 -74.8573 -27.9393 -76.4074 75.0451 -41.8161 -29.4776 -39.6607 4.99753 TIMING: 2758400 CPU: 8786.35, 0.00308392/step Wall: 8786.35, 0.00308392/step, 1.92026 hours remaining, 241.949219 MB of memory in use. ENERGY: 2758400 4009.8748 20397.6822 14487.0836 250.0618 -203428.8349 2671.1238 0.0000 0.0000 52545.9434 -109067.0652 301.9823 -161613.0086 -108713.9856 300.2058 -101.3277 -74.5619 763352.8267 12.5244 12.6792 PRESSURE: 2758600 -511.11 -3.96104 27.2571 -3.96201 -266.892 -25.2913 27.2572 -25.291 -233.123 GPRESSURE: 2758600 -481.626 -27.638 21.5619 -31.7783 -169.473 -38.5417 14.2889 54.2927 -297.071 PRESSAVG: 2758600 16.7689 -62.9081 -38.8103 -62.9081 25.3309 27.5266 -38.8103 27.5266 -20.1942 GPRESSAVG: 2758600 17.0714 -63.2316 -38.9431 -60.1818 24.0664 27.8202 -38.2033 26.845 -19.413 TIMING: 2758600 CPU: 8786.97, 0.00311973/step Wall: 8786.97, 0.00311973/step, 1.94238 hours remaining, 241.949219 MB of memory in use. ENERGY: 2758600 4041.2579 20559.1208 14466.6203 246.0927 -203262.6248 2580.5264 0.0000 0.0000 52100.9390 -109268.0676 299.4248 -161369.0066 -108896.6580 300.2687 -337.0416 -316.0566 763215.6594 7.3019 7.2416 PRESSURE: 2758800 63.9336 28.8936 21.8833 28.894 118.167 27.0476 21.8822 27.0477 -47.7793 GPRESSURE: 2758800 77.7051 -46.0987 110.961 -36.0612 135.558 -40.828 34.7394 71.7893 2.67556 PRESSAVG: 2758800 -59.5856 -41.459 -12.2368 -41.4589 66.3024 11.8498 -12.2369 11.8499 6.82867 GPRESSAVG: 2758800 -59.0284 -41.1156 -11.1412 -43.538 66.2041 12.996 -11.624 12.8538 6.3056 TIMING: 2758800 CPU: 8787.59, 0.00311099/step Wall: 8787.59, 0.00311099/step, 1.93677 hours remaining, 241.949219 MB of memory in use. ENERGY: 2758800 4006.2175 20344.7195 14499.5368 244.1813 -203413.0556 2600.6964 0.0000 0.0000 52303.7709 -109413.9333 300.5905 -161717.7043 -109046.1417 299.3896 44.7739 71.9794 762042.9196 4.5151 4.4938 PRESSURE: 2759000 32.6724 9.63646 -82.9982 9.63777 -9.9336 139.561 -82.9981 139.561 -13.5002 GPRESSURE: 2759000 87.3934 82.2013 -96.2427 61.504 26.5963 195.326 5.59158 104.667 -38.3614 PRESSAVG: 2759000 -11.1995 -52.1638 -48.2447 -52.1638 12.4853 -44.6122 -48.2446 -44.6122 16.7268 GPRESSAVG: 2759000 -11.7367 -54.2543 -49.0134 -50.405 12.31 -45.0326 -49.9732 -46.03 16.6357 TIMING: 2759000 CPU: 8788.21, 0.00309995/step Wall: 8788.21, 0.00309995/step, 1.92972 hours remaining, 241.949219 MB of memory in use. ENERGY: 2759000 4032.8549 20584.4770 14465.2436 249.6772 -203612.7341 2803.1350 0.0000 0.0000 52055.2721 -109422.0743 299.1624 -161477.3465 -109064.0737 299.3438 3.0796 25.2094 762468.4663 6.0042 5.7363 PRESSURE: 2759200 166.543 -111.744 155.812 -111.744 -45.5213 40.5668 155.811 40.5667 28.0563 GPRESSURE: 2759200 131.13 -155.381 8.39337 53.1678 46.3358 95.5652 111.383 68.9559 49.6634 PRESSAVG: 2759200 -19.9808 -13.5691 -31.1515 -13.5691 -15.3311 -36.4099 -31.1515 -36.4099 -4.2995 GPRESSAVG: 2759200 -20.5474 -13.2132 -32.396 -14.6333 -15.4223 -36.2405 -28.9127 -36.535 -3.99453 TIMING: 2759200 CPU: 8788.83, 0.00310073/step Wall: 8788.83, 0.00310073/step, 1.93004 hours remaining, 241.949219 MB of memory in use. ENERGY: 2759200 3965.6854 20531.0423 14553.5207 251.9558 -203221.3207 2495.1454 0.0000 0.0000 52046.9644 -109377.0067 299.1146 -161423.9711 -109019.8323 298.9435 49.6926 75.7096 761763.3951 -13.2038 -13.3214 PRESSURE: 2759400 121.334 -100.399 259.544 -100.399 55.2265 11.409 259.543 11.4095 -135.438 GPRESSURE: 2759400 214.715 -53.3067 325.048 -30.7355 61.9848 38.713 158.292 101.496 -143.991 PRESSAVG: 2759400 22.6549 -24.1231 -23.7996 -24.1231 42.6297 11.4805 -23.7996 11.4806 -18.8257 GPRESSAVG: 2759400 23.9385 -24.73 -21.0813 -24.8065 41.9866 10.9855 -26.4129 11.7028 -19.1813 TIMING: 2759400 CPU: 8789.46, 0.00311303/step Wall: 8789.46, 0.00311303/step, 1.93751 hours remaining, 241.949219 MB of memory in use. ENERGY: 2759400 3964.5086 20594.3157 14492.3321 240.2409 -203103.4962 2233.7713 0.0000 0.0000 52134.1530 -109444.1746 299.6157 -161578.3276 -109095.1050 299.3976 13.7074 44.2364 759067.6377 15.4863 15.5813 PRESSURE: 2759600 -161.672 -52.6883 -74.639 -52.689 -354.139 9.85649 -74.6384 9.85618 226.696 GPRESSURE: 2759600 -115.906 -172.894 -57.562 -48.1637 -303.481 -51.8052 -136.484 31.9212 206.192 PRESSAVG: 2759600 6.67514 -9.00573 -8.93997 -9.00576 2.67199 57.9761 -8.9399 57.976 -2.73384 GPRESSAVG: 2759600 6.92844 -7.74626 -11.3938 -8.67495 3.14434 57.1081 -8.48318 58.2053 -3.43778 TIMING: 2759600 CPU: 8790.08, 0.00309911/step Wall: 8790.08, 0.00309911/step, 1.92868 hours remaining, 241.949219 MB of memory in use. ENERGY: 2759600 4056.3377 20386.0039 14471.9731 246.7032 -203336.6652 2600.9656 0.0000 0.0000 51979.5121 -109595.1696 298.7270 -161574.6817 -109234.2790 299.1472 -96.3716 -71.0648 760512.1958 2.2044 2.2117 PRESSURE: 2759800 5.78434 -206.954 16.2997 -206.954 -15.244 -74.7011 16.2998 -74.7001 -114.782 GPRESSURE: 2759800 5.3659 -18.0217 75.0518 -166.312 20.0368 -51.6492 -93.1346 -40.3285 -69.5437 PRESSAVG: 2759800 -53.2104 -23.8225 -37.8681 -23.8225 36.0237 -21.8635 -37.8681 -21.8635 16.3482 GPRESSAVG: 2759800 -53.0826 -24.4338 -37.9001 -23.8775 35.9448 -19.0987 -35.9242 -23.5312 16.0084 TIMING: 2759800 CPU: 8790.7, 0.00311419/step Wall: 8790.7, 0.00311419/step, 1.93789 hours remaining, 241.949219 MB of memory in use. ENERGY: 2759800 4038.7345 20548.4846 14488.2151 250.8534 -203715.2822 2863.6185 0.0000 0.0000 51888.9397 -109636.4364 298.2064 -161525.3761 -109280.1986 299.2270 -41.4139 -14.7137 762521.3078 -0.2795 -0.3764 PRESSURE: 2760000 18.6129 116.437 17.2187 116.437 -291.872 -191.999 17.219 -191.999 -213.888 GPRESSURE: 2760000 -28.6034 177.442 48.9758 176.319 -121.032 -110.944 -42.1744 -201.028 -239.204 PRESSAVG: 2760000 -2.17213 -65.7937 66.154 -65.7937 -21.5103 8.96624 66.154 8.96632 23.337 GPRESSAVG: 2760000 -3.32043 -66.4588 65.4487 -64.7066 -20.6597 7.88507 66.8395 10.7548 23.6252 TIMING: 2760000 CPU: 8791.32, 0.00309249/step Wall: 8791.32, 0.00309249/step, 1.92422 hours remaining, 241.949219 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: 2760000 4008.2625 20411.9102 14486.5478 256.8631 -203616.2807 2708.5268 0.0000 0.0000 52078.5615 -109665.6088 299.2962 -161744.1703 -109296.6549 299.2554 -162.3824 -129.6131 761430.3274 -0.1151 -0.1183 PRESSURE: 2760200 -35.5097 -122.723 -45.7117 -122.723 -321.557 -52.4798 -45.712 -52.4796 -193.272 GPRESSURE: 2760200 -38.2385 -83.0108 -40.1716 -110.045 -251.238 -86.7042 -139.406 -64.6871 -195.262 PRESSAVG: 2760200 6.41368 8.27426 -13.6119 8.27428 -1.44848 11.2864 -13.6119 11.2864 13.8192 GPRESSAVG: 2760200 7.64856 8.95515 -12.4618 7.6323 -2.70733 11.3439 -15.6306 10.0614 13.8847 TIMING: 2760200 CPU: 8791.94, 0.00310682/step Wall: 8791.94, 0.00310682/step, 1.93296 hours remaining, 241.949219 MB of memory in use. ENERGY: 2760200 3958.9465 20527.7117 14500.6751 248.5438 -203778.0826 2785.6797 0.0000 0.0000 52345.8886 -109410.6372 300.8325 -161756.5258 -109030.2834 299.5421 -183.4464 -161.5795 761909.9846 6.2615 6.2753 LDB: ============= START OF LOAD BALANCING ============== 8804.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8804.38 LDB: =============== DONE WITH MIGRATION ================ 8804.39 LDB: ============= START OF LOAD BALANCING ============== 8804.7 LDB: Largest compute 7072 load 0.031439 is 16.1% of average load 0.195458 LDB: Average compute 0.004380 is 2.2% of average load 0.195458 LDB: TIME 8804.7 LOAD: AVG 0.195458 MAX 0.213495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 8804.7 LOAD: AVG 0.195458 MAX 0.213495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 8804.7 LOAD: AVG 0.195458 MAX 0.213495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 8804.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8804.71 PRESSURE: 2760400 312.88 -253.843 196.129 -253.842 -148.845 166.321 196.129 166.32 -246.346 GPRESSURE: 2760400 336.641 -244.826 45.4952 -298.532 -197.975 203.092 142.559 50.0193 -157.7 PRESSAVG: 2760400 106.817 -14.9977 -25.6593 -14.9977 -65.7488 5.63743 -25.6593 5.63738 3.63564 GPRESSAVG: 2760400 105.479 -14.2476 -26.9409 -14.3222 -64.5883 5.19011 -24.8308 7.76223 3.47964 TIMING: 2760400 CPU: 8792.57, 0.00316828/step Wall: 8792.57, 0.00316828/step, 1.97102 hours remaining, 240.347656 MB of memory in use. ENERGY: 2760400 4116.0221 20777.2898 14491.1310 230.5770 -203895.4250 2719.7459 0.0000 0.0000 52025.4445 -109535.2145 298.9909 -161560.6591 -109178.5936 300.0327 -27.4371 -6.3451 760983.3987 14.9014 14.7903 PRESSURE: 2760600 -64.3553 3.30376 -51.6387 3.30338 207.437 134.42 -51.6395 134.421 -112.729 GPRESSURE: 2760600 -4.73603 63.4332 -30.612 94.9207 298.502 53.4272 -29.05 106.542 -157.357 PRESSAVG: 2760600 -0.880174 -2.96766 -38.8592 -2.96773 -26.7186 24.7451 -38.8592 24.7452 20.1843 GPRESSAVG: 2760600 0.201674 -3.33489 -36.9952 -5.04004 -27.0378 24.5625 -39.0693 23.0029 19.603 TIMING: 2760600 CPU: 8793.19, 0.00309584/step Wall: 8793.19, 0.00309584/step, 1.92578 hours remaining, 240.347656 MB of memory in use. ENERGY: 2760600 4012.3971 20405.6441 14473.0657 256.1100 -203819.2948 2915.6478 0.0000 0.0000 51891.7253 -109864.7050 298.2225 -161756.4303 -109493.7899 298.4829 10.1174 45.4695 760694.5232 -2.4715 -2.4110 PRESSURE: 2760800 338.504 -84.1444 62.1607 -84.1444 -128.055 -92.1037 62.1609 -92.1038 142.826 GPRESSURE: 2760800 293.824 -93.2332 97.6534 -98.9013 -11.8265 -90.3164 100.862 -24.524 154.92 PRESSAVG: 2760800 -7.8192 18.8285 -40.2458 18.8285 12.3879 -0.152624 -40.2459 -0.152586 -19.8289 GPRESSAVG: 2760800 -8.2943 17.939 -41.0925 20.6561 12.2741 -0.400629 -39.3972 -0.892537 -19.321 TIMING: 2760800 CPU: 8793.81, 0.00311049/step Wall: 8793.81, 0.00311049/step, 1.93473 hours remaining, 240.347656 MB of memory in use. ENERGY: 2760800 4061.3585 20505.3002 14514.3248 250.6586 -203687.0050 2560.6767 0.0000 0.0000 51862.1619 -109932.5243 298.0526 -161794.6862 -109571.0917 298.8306 117.7586 145.6389 758312.2643 -5.0867 -5.1137 PRESSURE: 2761000 -69.3785 12.8011 -180.811 12.8014 -48.233 32.1694 -180.81 32.1709 138.28 GPRESSURE: 2761000 33.3675 5.94765 -209.815 104.011 -89.6087 1.07436 -158.154 4.67723 145.426 PRESSAVG: 2761000 -15.2088 14.141 17.0641 14.141 29.304 -33.6732 17.0641 -33.6732 5.46004 GPRESSAVG: 2761000 -15.6642 15.7288 17.0675 12.8587 30.4382 -33.8204 18.2463 -32.6771 4.54724 TIMING: 2761000 CPU: 8794.44, 0.00310782/step Wall: 8794.44, 0.00310782/step, 1.93289 hours remaining, 240.347656 MB of memory in use. ENERGY: 2761000 3990.4237 20437.9353 14551.0345 260.8625 -203594.4061 2444.9217 0.0000 0.0000 52101.0262 -109808.2022 299.4253 -161909.2284 -109430.6397 298.7566 6.8894 29.7283 760931.6722 6.5184 6.4404 PRESSURE: 2761200 -354.1 -126.181 126.641 -126.18 371.987 -133.483 126.641 -133.484 271.705 GPRESSURE: 2761200 -333.608 -32.7717 147.494 -30.3393 412.958 -113.898 57.4105 -84.0156 293.489 PRESSAVG: 2761200 -70.9757 -8.1418 4.46882 -8.14181 95.556 -9.4604 4.46882 -9.46029 9.24294 GPRESSAVG: 2761200 -70.2168 -8.37493 4.40791 -6.55953 93.9681 -8.84492 3.65124 -11.4149 10.0414 TIMING: 2761200 CPU: 8795.06, 0.00313634/step Wall: 8795.06, 0.00313634/step, 1.95046 hours remaining, 240.347656 MB of memory in use. ENERGY: 2761200 4011.6648 20522.3358 14525.1820 254.0678 -204052.9018 2833.8956 0.0000 0.0000 52202.8288 -109702.9271 300.0104 -161905.7558 -109338.7447 298.6837 96.5306 124.2797 760633.8786 11.2744 11.2642 PRESSURE: 2761400 -47.0212 -225.32 326.281 -225.319 -198.985 67.4619 326.282 67.4622 324.293 GPRESSURE: 2761400 -29.4688 -115.984 235.766 -185.448 -120.258 43.5562 369.45 -6.84702 336.261 PRESSAVG: 2761400 -70.4318 -14.1456 -5.5603 -14.1455 74.9595 -16.6557 -5.56028 -16.6557 -6.74566 GPRESSAVG: 2761400 -70.0204 -13.38 -7.2375 -13.0165 75.2807 -17.1219 -4.56289 -12.1364 -7.38935 TIMING: 2761400 CPU: 8795.68, 0.00310307/step Wall: 8795.68, 0.00310307/step, 1.92959 hours remaining, 240.347656 MB of memory in use. ENERGY: 2761400 3959.5670 20461.4425 14466.2472 237.1666 -203637.4874 2815.4037 0.0000 0.0000 51829.4309 -109868.2296 297.8645 -161697.6605 -109509.5312 298.4359 26.0955 62.1779 760606.5787 -0.7393 -0.7097 PRESSURE: 2761600 201.236 107.239 91.1838 107.238 229.897 269.832 91.1846 269.831 412.425 GPRESSURE: 2761600 173.867 -5.16135 19.8659 50.6961 338.605 222.504 26.1742 225.272 409.65 PRESSAVG: 2761600 -31.285 -29.6602 17.6533 -29.6602 5.32278 -18.8573 17.6533 -18.8573 -10.3138 GPRESSAVG: 2761600 -32.5962 -30.7479 19.7456 -31.8277 6.07139 -19.0287 17.2288 -21.6372 -9.8235 TIMING: 2761600 CPU: 8796.31, 0.00312303/step Wall: 8796.31, 0.00312303/step, 1.94183 hours remaining, 240.347656 MB of memory in use. ENERGY: 2761600 3989.0040 20384.8008 14491.4053 258.5757 -203842.3936 2814.0077 0.0000 0.0000 51951.7657 -109952.8344 298.5675 -161904.6001 -109584.1495 298.4516 281.1861 307.3737 760243.6307 -12.0920 -12.1161 PRESSURE: 2761800 -21.9458 244.263 -266.647 244.264 106.834 -91.161 -266.646 -91.1614 447.155 GPRESSURE: 2761800 51.8826 279.909 -153.177 148.402 105.199 -98.6738 -240.032 -101.29 461.768 PRESSAVG: 2761800 -55.5115 -21.6242 -53.1553 -21.6242 73.2551 61.8104 -53.1553 61.8104 -13.5391 GPRESSAVG: 2761800 -55.5397 -20.5291 -52.057 -22.1438 72.4882 61.2652 -57.1834 61.41 -13.4138 TIMING: 2761800 CPU: 8796.93, 0.0031204/step Wall: 8796.93, 0.0031204/step, 1.94002 hours remaining, 240.347656 MB of memory in use. ENERGY: 2761800 4027.2714 20548.3197 14450.9700 251.5435 -203855.1074 2720.2506 0.0000 0.0000 51915.4709 -109941.2812 298.3589 -161856.7522 -109584.7990 298.0992 177.3479 206.2833 761658.4667 1.4015 1.1782 PRESSURE: 2762000 115.904 229.804 15.1781 229.804 215.723 12.1825 15.1786 12.1828 145.204 GPRESSURE: 2762000 146.149 249.681 76.1073 311.143 272.151 43.3636 -30.1098 -47.9007 143.984 PRESSAVG: 2762000 -54.9263 -2.31953 16.4776 -2.31956 44.9412 27.4261 16.4776 27.4262 -21.2277 GPRESSAVG: 2762000 -53.9837 -3.8779 16.3115 -0.567871 45.447 27.1886 20.2777 27.7366 -23.0059 TIMING: 2762000 CPU: 8797.56, 0.00312777/step Wall: 8797.56, 0.00312777/step, 1.94443 hours remaining, 240.347656 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: 2762000 3982.4621 20395.4987 14440.3817 241.6761 -203506.3494 2589.1350 0.0000 0.0000 52007.6379 -109849.5579 298.8886 -161857.1959 -109475.1779 298.8442 158.9436 187.4279 762551.2049 -10.4043 -10.5142 PRESSURE: 2762200 -134.995 -126.213 105.82 -126.213 -438.476 -183.155 105.82 -183.155 -367.274 GPRESSURE: 2762200 -192.232 -91.4258 74.1685 -85.8739 -321.205 -239.856 100.153 -168.874 -323.563 PRESSAVG: 2762200 -7.26857 34.0964 14.6278 34.0965 19.677 11.4701 14.6278 11.47 14.2631 GPRESSAVG: 2762200 -8.02246 33.057 15.98 33.3693 18.2972 12.3349 13.0912 12.9167 16.3079 TIMING: 2762200 CPU: 8798.18, 0.00310414/step Wall: 8798.18, 0.00310414/step, 1.92957 hours remaining, 240.347656 MB of memory in use. ENERGY: 2762200 3963.8805 20566.6557 14503.1469 256.2569 -203122.7018 2155.0215 0.0000 0.0000 52031.5281 -109646.2122 299.0259 -161677.7403 -109284.3449 298.7163 -313.5816 -279.0003 761702.2411 8.8905 8.8609 PRESSURE: 2762400 -449.338 61.3645 -128.723 61.3652 257.979 -118.108 -128.723 -118.107 -64.3563 GPRESSURE: 2762400 -337.231 53.6859 -131.277 106.101 235.968 -108.837 -121.882 -27.5349 -59.3637 PRESSAVG: 2762400 -15.6044 39.4559 -3.2401 39.4559 68.0493 27.6212 -3.24011 27.6213 26.6661 GPRESSAVG: 2762400 -16.4928 39.3437 -5.61347 40.174 70.6127 28.3229 -3.82635 26.0191 25.7946 TIMING: 2762400 CPU: 8798.8, 0.00310658/step Wall: 8798.8, 0.00310658/step, 1.93091 hours remaining, 240.347656 MB of memory in use. ENERGY: 2762400 4027.8887 20541.5114 14468.3557 257.3192 -203485.4525 2407.2473 0.0000 0.0000 52008.4232 -109774.7071 298.8931 -161783.1303 -109414.3580 298.6785 -85.2382 -53.5424 759979.7477 26.3703 26.6381 PRESSURE: 2762600 -301.856 -60.6301 -65.2417 -60.6298 -200.363 -48.5785 -65.2421 -48.5782 -140.731 GPRESSURE: 2762600 -249.652 1.27206 -19.6878 -73.0303 -191.963 -45.5253 -55.5174 122.666 -106.555 PRESSAVG: 2762600 3.79781 -17.9437 -2.02431 -17.9437 9.7344 14.1893 -2.02434 14.1894 -0.78207 GPRESSAVG: 2762600 4.58945 -16.6089 -0.523071 -18.9537 7.61444 16.8932 -1.23989 14.0749 -0.131402 TIMING: 2762600 CPU: 8799.42, 0.00312224/step Wall: 8799.42, 0.00312224/step, 1.94047 hours remaining, 240.347656 MB of memory in use. ENERGY: 2762600 3972.9336 20408.3732 14497.5176 257.9563 -203324.4084 2417.9205 0.0000 0.0000 52079.7382 -109689.9691 299.3030 -161769.7072 -109330.7953 298.9686 -214.3165 -182.7233 759780.1580 4.2500 4.0242 PRESSURE: 2762800 -25.6582 71.7258 152.065 71.7257 459.141 214.53 152.066 214.53 -127.858 GPRESSURE: 2762800 58.0919 122.176 80.5774 61.9416 432.306 282.94 72.8214 126.661 -113.576 PRESSAVG: 2762800 -6.50368 2.41685 -12.105 2.41692 -7.31743 6.70959 -12.1049 6.70956 15.413 GPRESSAVG: 2762800 -6.75346 2.50566 -15.4686 -0.20803 -7.07606 2.66238 -10.4573 8.6181 15.2687 TIMING: 2762800 CPU: 8800.05, 0.00310687/step Wall: 8800.05, 0.00310687/step, 1.93075 hours remaining, 240.347656 MB of memory in use. ENERGY: 2762800 4041.9174 20530.7455 14541.8979 253.9216 -203598.5394 2715.9763 0.0000 0.0000 51939.6437 -109574.4370 298.4978 -161514.0807 -109216.5348 299.1241 101.8753 125.6072 759722.8412 0.5306 0.4797 PRESSURE: 2763000 -389.831 -14.3429 110.48 -14.3422 430.154 153.16 110.481 153.159 373.25 GPRESSURE: 2763000 -322.214 -79.9138 140.492 -69.5744 422.448 101.269 185.133 -34.6138 391.956 PRESSAVG: 2763000 -56.1672 -64.02 38.1522 -64.0201 67.4886 53.9493 38.1522 53.9493 14.4899 GPRESSAVG: 2763000 -54.2838 -63.9527 40.0583 -61.2005 66.4785 53.1599 37.3761 52.7973 13.2826 TIMING: 2763000 CPU: 8800.67, 0.00311689/step Wall: 8800.67, 0.00311689/step, 1.9368 hours remaining, 240.347656 MB of memory in use. ENERGY: 2763000 3958.8814 20332.3619 14577.5578 235.5802 -203443.9908 2696.8932 0.0000 0.0000 51984.2910 -109658.4254 298.7544 -161642.7164 -109292.4374 299.0398 137.8576 164.0633 759669.3208 8.6038 8.4924 PRESSURE: 2763200 -73.7811 -183.069 -237.779 -183.069 124.46 -209.891 -237.779 -209.891 135.489 GPRESSURE: 2763200 -25.1292 -178.994 -245.457 -75.1891 146.331 -233.053 -296.837 14.1996 150.012 PRESSAVG: 2763200 -72.1184 -30.256 2.46602 -30.256 80.4588 78.3872 2.46604 78.3872 -4.31931 GPRESSAVG: 2763200 -74.0815 -30.7864 2.42914 -30.6561 81.8281 78.8457 1.96141 79.7369 -3.57871 TIMING: 2763200 CPU: 8801.29, 0.00311202/step Wall: 8801.29, 0.00311202/step, 1.9336 hours remaining, 240.347656 MB of memory in use. ENERGY: 2763200 3988.5313 20543.0163 14465.8455 239.3653 -203550.7487 2676.0591 0.0000 0.0000 52120.9443 -109516.9870 299.5398 -161637.9313 -109159.2173 298.9632 62.0562 90.4046 760406.0514 1.3404 1.3893 PRESSURE: 2763400 -40.1168 -105.388 -57.9684 -105.388 -117.416 -158.507 -57.9691 -158.506 -259.329 GPRESSURE: 2763400 -10.6559 19.7308 7.80638 -42.4003 -61.9826 -194.995 -165.442 -199.359 -299.796 PRESSAVG: 2763400 -65.0588 -15.7956 43.4036 -15.7957 77.9491 -45.3954 43.4036 -45.3953 -4.60687 GPRESSAVG: 2763400 -64.805 -14.3585 44.2529 -14.1163 77.5577 -44.2493 40.9322 -45.767 -4.02777 TIMING: 2763400 CPU: 8801.91, 0.00311473/step Wall: 8801.91, 0.00311473/step, 1.93511 hours remaining, 240.347656 MB of memory in use. ENERGY: 2763400 4010.0146 20367.9482 14541.0733 238.0937 -203473.6626 2563.6295 0.0000 0.0000 52032.1557 -109720.7476 299.0295 -161752.9033 -109357.9880 299.2085 -138.9538 -124.1449 761156.9493 2.7611 2.9083 PRESSURE: 2763600 -696.902 -67.2897 77.5369 -67.2896 168.864 20.0887 77.5369 20.0887 -143.455 GPRESSURE: 2763600 -630.784 -132.784 19.0541 -47.8708 139.26 70.0396 67.7535 207.473 -122.942 PRESSAVG: 2763600 -11.6196 8.7139 6.14247 8.71384 20.9709 6.59793 6.1424 6.59792 -13.1836 GPRESSAVG: 2763600 -10.1236 6.42739 5.25616 7.83865 21.4377 6.07394 8.63347 7.96412 -15.2486 TIMING: 2763600 CPU: 8802.54, 0.0031142/step Wall: 8802.54, 0.0031142/step, 1.93461 hours remaining, 240.347656 MB of memory in use. ENERGY: 2763600 4010.6177 20494.5114 14443.8310 230.1036 -203510.3622 2584.7528 0.0000 0.0000 51770.4154 -109976.1304 297.5253 -161746.5458 -109626.2890 298.2701 -223.8310 -204.8220 762104.5129 -1.2774 -1.3115 PRESSURE: 2763800 -276.534 91.5971 -154.832 91.5979 -123.757 124.334 -154.832 124.334 170.207 GPRESSURE: 2763800 -242.291 106.298 -146.641 244.192 -140.406 97.0321 -94.958 -10.2813 234.656 PRESSAVG: 2763800 -96.4987 4.39804 13.2033 4.39806 103.483 -10.1744 13.2033 -10.1744 -4.83571 GPRESSAVG: 2763800 -97.5861 6.59619 12.1851 3.13132 101.936 -10.3467 14.3092 -11.3765 -2.4225 TIMING: 2763800 CPU: 8803.16, 0.003131/step Wall: 8803.16, 0.003131/step, 1.94487 hours remaining, 240.347656 MB of memory in use. ENERGY: 2763800 3967.0779 20497.0497 14538.6649 247.7321 -203661.6750 2724.3241 0.0000 0.0000 51809.1647 -109877.6617 297.7480 -161686.8263 -109518.1102 298.3682 -76.6946 -49.3468 762056.0142 0.7164 0.6425 PRESSURE: 2764000 -139.419 105.858 12.5548 105.859 85.1293 -56.3785 12.555 -56.3793 -207.445 GPRESSURE: 2764000 -176.632 11.9579 16.8544 122.06 199.87 -112.761 -101.698 116.937 -169.535 PRESSAVG: 2764000 -82.0876 22.3753 -10.5369 22.3753 41.7343 -6.86593 -10.537 -6.86598 -18.2621 GPRESSAVG: 2764000 -80.9774 21.4985 -11.3272 23.5972 42.0028 -7.40539 -11.5831 -6.85506 -19.0824 TIMING: 2764000 CPU: 8803.79, 0.00312292/step Wall: 8803.79, 0.00312292/step, 1.93968 hours remaining, 240.347656 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: 2764000 4008.1871 20578.7870 14567.7955 228.7017 -203069.7401 2275.6623 0.0000 0.0000 51652.3860 -109758.2203 296.8470 -161410.6064 -109412.1290 297.9194 -87.2451 -48.7655 763033.1655 -19.5384 -19.3523 PRESSURE: 2764200 -342.228 87.3414 -89.039 87.3417 -50.8328 -29.0463 -89.0389 -29.0471 137.05 GPRESSURE: 2764200 -310.255 -31.5032 -61.2342 23.2975 29.6426 -8.87296 -123.187 -3.03854 97.2211 PRESSAVG: 2764200 -17.17 -4.85453 6.30808 -4.85452 68.3823 21.2363 6.30805 21.2363 18.2137 GPRESSAVG: 2764200 -17.4712 -6.3298 8.38824 -5.26126 67.5235 23.6716 6.53293 21.1526 18.8297 TIMING: 2764200 CPU: 8804.41, 0.00312624/step Wall: 8804.41, 0.00312624/step, 1.94157 hours remaining, 240.347656 MB of memory in use. ENERGY: 2764200 3950.1010 20347.7412 14588.2271 247.9044 -203103.4066 2306.4760 0.0000 0.0000 51978.6172 -109684.3396 298.7218 -161662.9568 -109321.2886 298.9348 -85.3368 -61.1304 761140.8604 23.1420 22.9607 LDB: ============= START OF LOAD BALANCING ============== 8816.86 LDB: ============== END OF LOAD BALANCING =============== 8816.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8816.87 LDB: ============= START OF LOAD BALANCING ============== 8817.18 LDB: Largest compute 7031 load 0.033268 is 17.0% of average load 0.195389 LDB: Average compute 0.004379 is 2.2% of average load 0.195389 LDB: TIME 8817.18 LOAD: AVG 0.195389 MAX 0.215962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.812 MB LDB: TIME 8817.18 LOAD: AVG 0.195389 MAX 0.215962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 8817.18 LOAD: AVG 0.195389 MAX 0.215962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 8817.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8817.19 PRESSURE: 2764400 -119.428 -57.0164 -98.1683 -57.0159 -186.362 -128.714 -98.1679 -128.713 14.0351 GPRESSURE: 2764400 -192.524 -136.729 -136.352 -183.776 -71.0053 -62.9433 -178.567 -186.822 59.5497 PRESSAVG: 2764400 -58.4538 -20.543 -64.1454 -20.543 55.8364 -10.6492 -64.1455 -10.6491 -26.6131 GPRESSAVG: 2764400 -58.1631 -19.2246 -63.7491 -21.3225 55.5626 -11.4312 -64.5376 -11.3555 -27.0617 TIMING: 2764400 CPU: 8805.05, 0.00319779/step Wall: 8805.05, 0.00319779/step, 1.98583 hours remaining, 242.664062 MB of memory in use. ENERGY: 2764400 3965.8231 20455.6868 14424.8791 258.5927 -203556.4996 2758.6747 0.0000 0.0000 52024.0818 -109668.7615 298.9831 -161692.8433 -109306.6121 298.3323 -97.2518 -67.9931 761078.0608 -9.7435 -9.8874 PRESSURE: 2764600 -228.48 -104.255 87.2138 -104.255 -454.509 -21.4965 87.2134 -21.4974 153.336 GPRESSURE: 2764600 -195.657 26.2238 106.26 -118.497 -333.341 -37.0431 150.527 -15.2133 102.878 PRESSAVG: 2764600 -18.6423 -28.7838 -14.4016 -28.7838 55.285 10.5804 -14.4016 10.5804 16.0125 GPRESSAVG: 2764600 -19.1569 -29.571 -14.9072 -28.413 55.3751 9.93149 -16.2289 10.3054 16.122 TIMING: 2764600 CPU: 8805.67, 0.00310557/step Wall: 8805.67, 0.00310557/step, 1.92838 hours remaining, 242.867188 MB of memory in use. ENERGY: 2764600 3956.3896 20435.8549 14513.7607 243.5520 -203197.9147 2295.7173 0.0000 0.0000 52109.1180 -109643.5221 299.4718 -161752.6401 -109269.2949 298.7842 -176.5511 -142.0398 760517.0871 17.5517 17.4467 PRESSURE: 2764800 -112.446 7.38278 -305.783 7.38315 -79.2723 -79.1845 -305.784 -79.1852 -217.838 GPRESSURE: 2764800 -138.658 -13.2983 -265.506 188.087 33.5145 -84.207 -283.154 -135.349 -225.201 PRESSAVG: 2764800 -19.9348 -36.3159 2.30814 -36.3159 -7.49735 35.5069 2.30815 35.5069 12.1549 GPRESSAVG: 2764800 -19.9908 -37.8977 0.923723 -35.8073 -8.07525 35.7595 4.34525 34.119 12.9001 TIMING: 2764800 CPU: 8806.3, 0.00311731/step Wall: 8806.3, 0.00311731/step, 1.9355 hours remaining, 242.867188 MB of memory in use. ENERGY: 2764800 3982.6363 20570.0957 14588.8803 247.4920 -203466.2550 2600.0336 0.0000 0.0000 51750.1721 -109726.9450 297.4090 -161477.1171 -109370.8186 298.8370 -136.5190 -110.1148 761475.5080 -5.0924 -5.0553 PRESSURE: 2765000 -315.555 -180.268 -41.0592 -180.267 -35.155 -137.415 -41.0594 -137.414 40.9213 GPRESSURE: 2765000 -257.832 -81.1306 -121.229 -112.099 -65.7057 -134.208 -20.0176 -78.7377 99.5367 PRESSAVG: 2765000 -10.5047 5.719 -40.115 5.71902 -1.94312 1.04695 -40.115 1.04702 16.9778 GPRESSAVG: 2765000 -10.5638 6.62367 -39.5007 5.70198 -1.64451 2.73585 -39.9103 1.99774 16.7021 TIMING: 2765000 CPU: 8806.92, 0.00312115/step Wall: 8806.92, 0.00312115/step, 1.93771 hours remaining, 242.867188 MB of memory in use. ENERGY: 2765000 3909.6228 20614.2693 14615.1226 236.7425 -203501.3468 2535.9886 0.0000 0.0000 51730.8840 -109858.7170 297.2981 -161589.6010 -109485.6211 298.3187 -103.2631 -74.6669 761727.8927 1.5100 1.4979 PRESSURE: 2765200 204.644 -208.296 9.58357 -208.296 -175.109 -107.333 9.58346 -107.333 -109.54 GPRESSURE: 2765200 100.533 -194.016 48.6938 -255.484 -67.5509 -87.6975 -4.9158 -115.237 -56.9638 PRESSAVG: 2765200 -14.432 12.9931 -2.92941 12.9931 52.8743 -43.7028 -2.92943 -43.7029 4.41167 GPRESSAVG: 2765200 -14.1644 15.3202 -3.24682 11.5967 52.3627 -44.8541 -3.42246 -42.3279 4.56813 TIMING: 2765200 CPU: 8807.55, 0.00312077/step Wall: 8807.55, 0.00312077/step, 1.9373 hours remaining, 242.867188 MB of memory in use. ENERGY: 2765200 4023.6540 20526.6231 14499.2433 257.2438 -203558.2618 2585.8278 0.0000 0.0000 51892.6888 -109772.9810 298.2280 -161665.6697 -109406.1643 298.8582 -26.6685 -7.9939 759389.8681 14.2846 14.2555 PRESSURE: 2765400 -443.11 -32.1514 -181.769 -32.1513 -2.73786 203.105 -181.769 203.106 109.741 GPRESSURE: 2765400 -383.711 -35.5824 -205.689 15.1883 57.4219 172.578 -202.738 179.691 97.032 PRESSAVG: 2765400 20.7623 11.1685 -60.8921 11.1685 -28.217 42.6814 -60.8921 42.6814 5.94733 GPRESSAVG: 2765400 20.9088 9.9174 -58.9195 11.0692 -27.8052 41.778 -60.572 42.6229 5.46558 TIMING: 2765400 CPU: 8808.17, 0.00312056/step Wall: 8808.17, 0.00312056/step, 1.937 hours remaining, 242.867188 MB of memory in use. ENERGY: 2765400 3986.2744 20408.3621 14486.2871 240.4169 -203139.4318 2306.0185 0.0000 0.0000 51877.7388 -109834.3340 298.1421 -161712.0728 -109470.5457 298.2195 -112.0356 -76.4189 761088.9407 -0.5025 -0.4769 PRESSURE: 2765600 -169.226 178.486 118.733 178.487 -312.533 62.997 118.734 62.9963 -343.738 GPRESSURE: 2765600 -151.827 29.0687 205.902 206.675 -290.211 28.8267 78.9425 37.9517 -289.127 PRESSAVG: 2765600 -12.5923 -20.5366 16.3818 -20.5365 -11.0175 26.391 16.3819 26.391 2.04333 GPRESSAVG: 2765600 -11.8567 -22.6916 14.3769 -17.7214 -11.6242 26.0134 17.7553 26.2249 2.43824 TIMING: 2765600 CPU: 8808.79, 0.00311497/step Wall: 8808.79, 0.00311497/step, 1.93336 hours remaining, 242.867188 MB of memory in use. ENERGY: 2765600 4040.2869 20460.0784 14560.9192 252.6213 -203477.9298 2447.1665 0.0000 0.0000 51767.1066 -109949.7509 297.5063 -161716.8575 -109595.8437 297.9077 -275.1658 -243.7215 759987.3322 -7.1888 -7.0142 PRESSURE: 2765800 88.6848 162.264 88.9628 162.265 -344.603 144.18 88.9634 144.18 -215.551 GPRESSURE: 2765800 11.6885 159.173 27.7499 85.3516 -232.875 89.4837 55.1571 189.637 -160.848 PRESSAVG: 2765800 13.9244 14.967 -38.2753 14.967 -24.6922 37.8493 -38.2753 37.8492 7.84336 GPRESSAVG: 2765800 12.4594 17.2691 -38.0377 11.0917 -23.7019 41.0894 -40.572 34.0568 8.10246 TIMING: 2765800 CPU: 8809.42, 0.00311548/step Wall: 8809.42, 0.00311548/step, 1.9335 hours remaining, 242.867188 MB of memory in use. ENERGY: 2765800 4046.5812 20500.9463 14537.6510 235.0930 -203690.9060 2449.4270 0.0000 0.0000 51948.9408 -109972.2666 298.5513 -161921.2074 -109617.9595 297.7802 -157.1564 -127.3447 760272.7702 -0.9748 -1.0467 PRESSURE: 2766000 -215.484 -269.812 -100.067 -269.812 -497.822 4.039 -100.067 4.03852 77.232 GPRESSURE: 2766000 -201.637 -213.742 31.9102 -255.595 -368.255 -26.4049 -113.215 -62.5497 11.8171 PRESSAVG: 2766000 25.5762 20.2599 7.25261 20.2598 0.353532 -61.7386 7.25258 -61.7385 27.8431 GPRESSAVG: 2766000 26.0785 19.9464 8.85628 22.2343 -0.674152 -62.3227 6.57541 -59.3389 27.8412 TIMING: 2766000 CPU: 8810.04, 0.00309883/step Wall: 8810.04, 0.00309883/step, 1.923 hours remaining, 242.867188 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: 2766000 3967.2996 20409.9859 14515.6335 237.3783 -203906.5443 2572.3106 0.0000 0.0000 52140.9620 -110062.9744 299.6548 -162203.9364 -109694.5330 298.0252 -212.0247 -186.0251 758438.3632 17.9243 17.7485 PRESSURE: 2766200 259.197 -27.3478 -74.2805 -27.348 34.5105 -20.1736 -74.2816 -20.1736 107.964 GPRESSURE: 2766200 289.767 20.7724 -104.497 -24.7816 116.42 -35.0426 -7.59263 -106.536 88.4528 PRESSAVG: 2766200 -30.3176 -20.9696 4.59815 -20.9696 -10.814 -27.4534 4.59809 -27.4534 9.33803 GPRESSAVG: 2766200 -30.4059 -21.1053 2.01709 -22.7165 -10.4886 -30.0108 6.48743 -24.4155 9.21949 TIMING: 2766200 CPU: 8810.66, 0.00311139/step Wall: 8810.66, 0.00311139/step, 1.93062 hours remaining, 242.867188 MB of memory in use. ENERGY: 2766200 4038.5073 20264.3189 14579.7672 258.0171 -203499.6087 2412.0147 0.0000 0.0000 51940.2794 -110006.7041 298.5015 -161946.9835 -109642.4475 298.2336 133.8905 164.8802 758847.7374 -10.5979 -10.5583 PRESSURE: 2766400 12.8462 96.6967 -88.2083 96.696 -497.918 -198.744 -88.2087 -198.744 147.821 GPRESSURE: 2766400 -26.0122 22.4081 -104.727 138.083 -393.803 -194.324 -39.5835 -173.163 156.987 PRESSAVG: 2766400 0.58099 8.55187 -41.4784 8.55184 19.9379 -12.1213 -41.4784 -12.1212 11.9123 GPRESSAVG: 2766400 0.227072 8.37967 -40.3036 9.34244 20.4492 -11.0495 -39.3829 -14.4102 11.2183 TIMING: 2766400 CPU: 8811.28, 0.00310807/step Wall: 8811.28, 0.00310807/step, 1.92838 hours remaining, 242.867188 MB of memory in use. ENERGY: 2766400 3953.9237 20609.2420 14576.8408 239.0189 -203727.1319 2688.0527 0.0000 0.0000 51742.8582 -109917.1956 297.3669 -161660.0538 -109562.1224 297.9346 -112.4169 -87.6094 759611.4335 10.8104 10.6315 PRESSURE: 2766600 -470.476 -70.1529 -126.872 -70.1529 -56.6615 150.778 -126.872 150.778 -184.488 GPRESSURE: 2766600 -392.232 -36.4306 -69.8526 -10.8432 -119.926 119.387 -205.86 113.844 -121.112 PRESSAVG: 2766600 -66.1185 -19.5619 -7.985 -19.5619 73.5966 -13.3487 -7.98499 -13.3487 -14.8522 GPRESSAVG: 2766600 -67.1472 -19.8043 -9.12198 -18.3533 73.3879 -12.5704 -11.3042 -13.0418 -13.786 TIMING: 2766600 CPU: 8811.9, 0.00311063/step Wall: 8811.9, 0.00311063/step, 1.9298 hours remaining, 242.867188 MB of memory in use. ENERGY: 2766600 3940.6244 20447.7340 14514.0055 249.7754 -203897.0601 2447.5903 0.0000 0.0000 52185.3026 -110112.0279 299.9097 -162297.3306 -109759.7538 297.9358 -237.2086 -211.0902 759292.7699 -2.4580 -2.5151 PRESSURE: 2766800 129.698 -90.3307 21.7843 -90.3318 387.633 116.495 21.784 116.494 221.126 GPRESSURE: 2766800 145.664 -190.818 47.8009 -56.9574 411.636 110.77 51.4981 -41.6097 267.969 PRESSAVG: 2766800 -50.1323 -21.6617 -28.1473 -21.6618 97.0754 1.57521 -28.1473 1.57528 14.8189 GPRESSAVG: 2766800 -47.1129 -22.9468 -26.1239 -22.572 95.2165 1.53224 -26.3412 1.11551 13.7335 TIMING: 2766800 CPU: 8812.52, 0.00309437/step Wall: 8812.52, 0.00309437/step, 1.91954 hours remaining, 242.867188 MB of memory in use. ENERGY: 2766800 3891.7631 20476.4976 14580.1438 240.6213 -203798.1845 2719.3352 0.0000 0.0000 51624.0062 -110265.8172 296.6839 -161889.8234 -109910.4785 297.8804 246.1521 275.0899 758931.7881 20.5874 20.6124 PRESSURE: 2767000 -0.866769 33.8314 55.6174 33.831 -307.305 259.128 55.6162 259.129 -646.476 GPRESSURE: 2767000 33.4792 113.64 -23.0618 104.659 -199.616 68.3599 -7.93454 144.478 -695.832 PRESSAVG: 2767000 -54.9413 -52.017 -10.6575 -52.017 37.0407 4.84855 -10.6576 4.84858 4.91107 GPRESSAVG: 2767000 -56.9842 -50.3756 -10.5107 -53.5287 39.1098 4.0148 -11.7594 3.39757 4.79244 TIMING: 2767000 CPU: 8813.14, 0.00310449/step Wall: 8813.14, 0.00310449/step, 1.92565 hours remaining, 242.867188 MB of memory in use. ENERGY: 2767000 4000.8441 20510.4669 14541.2595 222.7165 -203375.1519 2320.9346 0.0000 0.0000 51579.6870 -110199.2434 296.4292 -161778.9304 -109838.1199 297.6605 -318.2160 -287.3231 759829.9773 -4.3298 -4.3606 PRESSURE: 2767200 -182.139 22.8229 174.601 22.8244 -29.2485 144.555 174.602 144.554 118.883 GPRESSURE: 2767200 -180.979 -25.7356 173.055 80.8889 12.1133 98.8879 141.804 38.9075 148.787 PRESSAVG: 2767200 -39.7297 -42.0512 -54.4768 -42.0512 58.0661 -23.133 -54.4768 -23.133 -19.7375 GPRESSAVG: 2767200 -39.7052 -42.512 -55.3054 -39.2939 56.9893 -22.8233 -55.9703 -22.5908 -18.7127 TIMING: 2767200 CPU: 8813.76, 0.00310578/step Wall: 8813.76, 0.00310578/step, 1.92628 hours remaining, 242.867188 MB of memory in use. ENERGY: 2767200 3924.3110 20333.4631 14594.3118 241.8193 -203502.8082 2423.4569 0.0000 0.0000 51693.2160 -110292.2302 297.0816 -161985.4461 -109934.5679 297.2349 -30.8349 -6.6930 759092.3216 -0.4670 -0.4762 PRESSURE: 2767400 -131.839 96.4014 58.3001 96.401 465.026 -181.779 58.2999 -181.778 145.495 GPRESSURE: 2767400 -93.9716 4.79628 -4.37617 53.3464 437.704 -215.948 63.2917 -150.372 224.867 PRESSAVG: 2767400 -57.9261 -24.6167 -36.4507 -24.6167 73.0779 48.415 -36.4507 48.415 -12.0531 GPRESSAVG: 2767400 -58.013 -23.3237 -34.749 -28.2503 74.1653 46.9025 -36.7693 49.9605 -12.792 TIMING: 2767400 CPU: 8814.38, 0.00309324/step Wall: 8814.38, 0.00309324/step, 1.91833 hours remaining, 242.867188 MB of memory in use. ENERGY: 2767400 3951.3462 20334.9455 14509.1804 254.9299 -203806.2166 2663.5207 0.0000 0.0000 51898.5675 -110193.7264 298.2618 -162092.2939 -109827.8541 297.4160 159.5606 189.5333 758276.9198 1.0329 1.1201 PRESSURE: 2767600 -204.664 2.5263 -100.16 2.52689 -441.585 -41.5419 -100.16 -41.543 -239.202 GPRESSURE: 2767600 -133.492 -88.9528 -124.295 -40.6221 -399.604 -50.8814 -93.508 80.2674 -257.055 PRESSAVG: 2767600 -28.1491 4.43923 -27.8892 4.43918 31.9081 28.3715 -27.8892 28.3715 -10.5683 GPRESSAVG: 2767600 -26.1593 2.00374 -30.4124 5.37982 32.2594 29.3558 -24.6933 30.1209 -12.3874 TIMING: 2767600 CPU: 8815, 0.00308667/step Wall: 8815, 0.00308667/step, 1.91408 hours remaining, 242.867188 MB of memory in use. ENERGY: 2767600 3996.6771 20405.6017 14561.5284 250.3024 -203283.0239 2236.1103 0.0000 0.0000 51809.2367 -110023.5673 297.7484 -161832.8040 -109670.5515 297.7141 -295.1504 -263.3836 760776.6176 -2.2698 -2.0958 PRESSURE: 2767800 251.365 -113.853 58.4652 -113.854 7.11084 49.5812 58.4658 49.5819 278.707 GPRESSURE: 2767800 186.132 -67.9593 -38.3497 -158.774 56.2791 7.611 22.1808 53.3468 362.335 PRESSAVG: 2767800 -21.1739 -51.5357 -23.7081 -51.5356 14.712 50.4358 -23.7081 50.4358 -10.23 GPRESSAVG: 2767800 -22.1637 -49.7266 -21.4542 -49.7598 14.0165 48.985 -24.966 50.0807 -8.35404 TIMING: 2767800 CPU: 8815.62, 0.00310016/step Wall: 8815.62, 0.00310015/step, 1.92227 hours remaining, 242.867188 MB of memory in use. ENERGY: 2767800 4019.4561 20440.8819 14595.2128 232.7578 -204083.6865 2851.9838 0.0000 0.0000 51877.4793 -110065.9147 298.1406 -161943.3940 -109698.6455 298.0914 179.0608 201.5820 759142.6932 -5.5639 -5.5004 PRESSURE: 2768000 -296.553 0.395825 -268.365 0.396206 -345.745 -152.092 -268.365 -152.092 -582.182 GPRESSURE: 2768000 -309.332 -3.07716 -317.271 -28.2779 -320.501 -103.788 -118.434 -47.2097 -510.044 PRESSAVG: 2768000 -33.4865 -4.90773 -24.4704 -4.90779 26.2116 -17.2371 -24.4704 -17.2372 -25.4888 GPRESSAVG: 2768000 -34.3664 -5.92112 -24.567 -5.88638 27.0216 -15.9517 -25.9107 -18.0849 -25.5615 TIMING: 2768000 CPU: 8816.24, 0.0031071/step Wall: 8816.24, 0.0031071/step, 1.9264 hours remaining, 242.867188 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: 2768000 3966.0650 20422.1545 14487.4994 250.4923 -203089.3036 2183.2052 0.0000 0.0000 51765.1822 -110014.7050 297.4952 -161779.8872 -109654.5200 298.2318 -408.1600 -379.9592 761811.4758 -10.9212 -10.9688 PRESSURE: 2768200 -125.3 -130.09 63.663 -130.091 -324.852 39.1593 63.663 39.1581 -135.275 GPRESSURE: 2768200 -67.8014 -140.39 55.7167 -53.2908 -243.147 65.9952 67.8381 44.3998 -170.625 PRESSAVG: 2768200 11.3361 9.42369 -48.9602 9.4237 -32.2277 13.1109 -48.9602 13.1109 -4.28822 GPRESSAVG: 2768200 13.1055 8.87112 -48.868 9.5019 -33.1998 14.3295 -47.7301 13.2846 -3.93566 TIMING: 2768200 CPU: 8816.86, 0.00309328/step Wall: 8816.86, 0.00309328/step, 1.91766 hours remaining, 242.867188 MB of memory in use. ENERGY: 2768200 3959.3909 20604.0758 14540.5381 247.1382 -203240.1260 2277.6886 0.0000 0.0000 51775.3486 -109835.9459 297.5536 -161611.2945 -109481.9597 298.3402 -195.1422 -160.5243 760219.9805 -8.3933 -8.0100 LDB: ============= START OF LOAD BALANCING ============== 8829.3 LDB: ============== END OF LOAD BALANCING =============== 8829.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8829.3 LDB: ============= START OF LOAD BALANCING ============== 8829.62 LDB: Largest compute 7031 load 0.034257 is 17.5% of average load 0.195376 LDB: Average compute 0.004388 is 2.2% of average load 0.195376 LDB: TIME 8829.62 LOAD: AVG 0.195376 MAX 0.21749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8829.62 LOAD: AVG 0.195376 MAX 0.21749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 8829.62 LOAD: AVG 0.195376 MAX 0.21749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 8829.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8829.63 PRESSURE: 2768400 56.9714 213.894 3.65887 213.892 147.075 -32.3232 3.66015 -32.323 345.705 GPRESSURE: 2768400 84.3341 268.803 -95.8121 308.975 157.614 -20.2495 90.4173 -44.6899 388.452 PRESSAVG: 2768400 -1.20954 1.40143 22.2924 1.40141 8.55914 -82.4142 22.2925 -82.4142 18.442 GPRESSAVG: 2768400 -1.75524 1.4526 23.0308 1.66856 8.58147 -83.0858 22.4705 -84.1517 18.346 TIMING: 2768400 CPU: 8817.49, 0.00316667/step Wall: 8817.49, 0.00316667/step, 1.96298 hours remaining, 240.039062 MB of memory in use. ENERGY: 2768400 3970.3686 20396.7788 14522.2526 271.8454 -203503.9737 2556.1483 0.0000 0.0000 51892.6352 -109893.9448 298.2277 -161786.5800 -109535.8512 298.2810 183.2506 210.1335 759948.0806 8.5972 8.3907 PRESSURE: 2768600 -266.422 -104.759 -41.0984 -104.759 -207.156 -43.0727 -41.0984 -43.072 -328.395 GPRESSURE: 2768600 -166.582 -94.6021 -31.1374 -218.636 -260.839 79.1035 -144.552 -124.434 -297.99 PRESSAVG: 2768600 5.67627 10.215 -5.76566 10.2151 -45.0591 -43.8072 -5.76565 -43.8072 16.9558 GPRESSAVG: 2768600 5.48525 12.4559 -6.80451 10.1573 -44.8454 -44.2383 -4.70947 -44.9236 16.979 TIMING: 2768600 CPU: 8818.11, 0.00310463/step Wall: 8818.11, 0.00310463/step, 1.92436 hours remaining, 240.039062 MB of memory in use. ENERGY: 2768600 3971.7540 20597.9802 14468.6185 216.8715 -203591.2586 2617.2157 0.0000 0.0000 51812.8994 -109905.9194 297.7694 -161718.8188 -109548.7356 298.3092 -267.3243 -241.8036 760944.4714 -7.4757 -7.4604 PRESSURE: 2768800 -392.949 -153.488 -69.8027 -153.488 -248.762 53.8393 -69.802 53.8405 -48.6277 GPRESSURE: 2768800 -270.07 -132.595 -50.9651 -120.061 -291.414 73.3007 -143.808 -31.9412 -36.112 PRESSAVG: 2768800 9.76269 -14.5205 21.2505 -14.5205 7.9332 -25.7741 21.2505 -25.7741 14.3152 GPRESSAVG: 2768800 9.32295 -16.3879 22.1497 -13.6275 8.64165 -24.2192 19.3269 -24.5266 14.0018 TIMING: 2768800 CPU: 8818.73, 0.00309015/step Wall: 8818.73, 0.00309015/step, 1.91521 hours remaining, 240.039062 MB of memory in use. ENERGY: 2768800 3994.8452 20438.5376 14511.8062 242.4000 -203405.9423 2475.3489 0.0000 0.0000 51961.3603 -109781.6442 298.6227 -161743.0045 -109419.5823 298.3861 -230.1129 -199.1988 760419.7310 10.6704 10.6555 PRESSURE: 2769000 46.9967 80.6372 118.018 80.6379 5.54353 -134.171 118.017 -134.171 -119.465 GPRESSURE: 2769000 77.3312 122.597 18.0123 190.113 52.6228 -184.54 218.455 -167.588 -109.217 PRESSAVG: 2769000 17.5404 54.4624 -7.61286 54.4624 -2.68404 -24.4466 -7.61291 -24.4466 16.9592 GPRESSAVG: 2769000 17.8574 53.1631 -9.43243 53.2863 -2.96643 -24.4398 -5.43629 -25.298 16.5 TIMING: 2769000 CPU: 8819.35, 0.00309406/step Wall: 8819.35, 0.00309406/step, 1.91746 hours remaining, 240.039062 MB of memory in use. ENERGY: 2769000 4039.2836 20470.5888 14529.4138 259.1966 -203177.9477 2447.6969 0.0000 0.0000 52018.7811 -109412.9867 298.9527 -161431.7679 -109052.6065 298.5523 -22.3084 6.9125 761703.1619 10.6052 10.4637 PRESSURE: 2769200 -122.636 -141.941 0.548079 -141.941 9.18312 139.279 0.548785 139.28 -112.408 GPRESSURE: 2769200 -91.7373 -224.242 64.5496 -10.4534 76.5844 38.5935 -60.7039 152.613 -134.336 PRESSAVG: 2769200 23.1094 29.8437 -25.7551 29.8437 -44.5783 -18.7309 -25.755 -18.7308 -6.89118 GPRESSAVG: 2769200 22.0343 31.0179 -22.1904 29.7305 -45.9603 -19.3976 -29.3393 -16.8372 -4.72576 TIMING: 2769200 CPU: 8819.97, 0.00308834/step Wall: 8819.97, 0.00308834/step, 1.91374 hours remaining, 240.039062 MB of memory in use. ENERGY: 2769200 3920.5351 20315.6748 14459.3079 245.3820 -203271.6753 2601.7094 0.0000 0.0000 52020.0892 -109708.9770 298.9602 -161729.0662 -109345.2638 299.1655 -75.2869 -49.8295 762006.5967 -9.4533 -9.5506 PRESSURE: 2769400 340.112 78.5852 180.311 78.5854 -184.407 27.7873 180.311 27.7864 126.759 GPRESSURE: 2769400 328.011 95.3168 155.949 72.5678 -36.5057 -10.6667 229.624 -115.457 74.7909 PRESSAVG: 2769400 3.99301 70.0099 3.53672 70.01 -2.06198 -9.62788 3.53676 -9.6279 5.56916 GPRESSAVG: 2769400 4.43462 69.6156 1.70913 70.5822 -0.501926 -9.89621 4.76932 -9.99729 3.63124 TIMING: 2769400 CPU: 8820.59, 0.00310645/step Wall: 8820.59, 0.00310645/step, 1.92479 hours remaining, 240.039062 MB of memory in use. ENERGY: 2769400 3873.3216 20389.2253 14455.2689 250.1422 -203351.4200 2635.7815 0.0000 0.0000 52187.9878 -109559.6928 299.9251 -161747.6806 -109194.2928 298.9352 94.1547 122.0989 760996.0030 2.5001 2.5213 PRESSURE: 2769600 246.158 -34.2255 22.2557 -34.2256 -62.4163 157.677 22.2562 157.676 45.8006 GPRESSURE: 2769600 206.968 83.3835 71.0012 -67.8192 59.709 194.754 2.60734 119.808 66.9437 PRESSAVG: 2769600 60.227 -37.3101 -2.77582 -37.3102 -65.584 3.27922 -2.77576 3.27919 4.40936 GPRESSAVG: 2769600 61.7077 -36.5935 -2.87452 -38.3223 -67.0502 3.2816 -2.55307 2.19293 4.6065 TIMING: 2769600 CPU: 8821.21, 0.0031143/step Wall: 8821.21, 0.0031143/step, 1.92948 hours remaining, 240.039062 MB of memory in use. ENERGY: 2769600 3995.0381 20326.4993 14442.1077 243.4744 -203540.6995 2775.5540 0.0000 0.0000 52021.7062 -109736.3197 298.9695 -161758.0258 -109375.6892 298.6818 76.5141 111.2070 762928.8035 -0.3159 -0.2453 PRESSURE: 2769800 74.6424 102.727 234.153 102.727 197.229 60.4766 234.152 60.4762 3.04722 GPRESSURE: 2769800 112.578 34.6612 194.713 22.5041 210.71 65.4507 153.749 51.0807 -0.657542 PRESSAVG: 2769800 2.12824 -5.45581 27.0762 -5.45581 -6.31897 31.3032 27.0763 31.3033 6.26123 GPRESSAVG: 2769800 2.38083 -6.47996 27.4235 -4.85761 -6.10789 31.2606 29.7226 32.5235 6.31837 TIMING: 2769800 CPU: 8821.83, 0.0031156/step Wall: 8821.83, 0.0031156/step, 1.93012 hours remaining, 240.039062 MB of memory in use. ENERGY: 2769800 3893.0320 20431.1802 14445.6969 242.6853 -203675.2484 2742.7617 0.0000 0.0000 52157.0897 -109762.8026 299.7475 -161919.8923 -109401.7281 298.7977 91.6397 107.5434 761561.8436 0.6902 0.8638 PRESSURE: 2770000 -413.282 -213.878 49.7661 -213.879 -10.4263 -88.3332 49.7662 -88.3332 195.886 GPRESSURE: 2770000 -337.655 -186.062 58.1574 -158.829 41.0653 -167.756 168.076 32.0186 158.893 PRESSAVG: 2770000 -12.9821 14.724 15.5237 14.7241 39.3929 4.82546 15.5237 4.82538 24.0137 GPRESSAVG: 2770000 -12.92 17.2702 15.7649 13.8558 40.4483 5.37278 13.8088 1.20278 23.0371 TIMING: 2770000 CPU: 8822.45, 0.00310272/step Wall: 8822.45, 0.00310272/step, 1.92196 hours remaining, 240.039062 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: 2770000 4019.0228 20270.6948 14406.4001 257.5093 -203132.9232 2316.8307 0.0000 0.0000 52185.7515 -109676.7139 299.9122 -161862.4654 -109312.4861 298.4925 -75.9410 -45.8987 761688.1188 16.8082 16.8551 PRESSURE: 2770200 -16.9948 24.8391 57.226 24.8388 271.832 -108.179 57.2268 -108.179 171.138 GPRESSURE: 2770200 17.8204 21.1803 10.1376 -95.6605 360.52 -20.7526 204.278 -85.7729 130.017 PRESSAVG: 2770200 5.85301 -45.6671 20.7698 -45.6671 12.3949 -42.4594 20.7698 -42.4593 -14.8934 GPRESSAVG: 2770200 4.77174 -48.219 19.7912 -43.3213 11.0043 -44.3172 20.3549 -37.3875 -13.0565 TIMING: 2770200 CPU: 8823.08, 0.00312048/step Wall: 8823.08, 0.00312048/step, 1.93279 hours remaining, 240.039062 MB of memory in use. ENERGY: 2770200 4025.3081 20363.3242 14474.0994 250.4426 -203566.3643 2833.0309 0.0000 0.0000 51827.5837 -109792.5755 297.8538 -161620.1591 -109430.3928 298.7034 141.9916 169.4525 761725.3304 1.1182 0.9065 PRESSURE: 2770400 82.4756 -24.7074 -223.67 -24.7068 89.642 140.869 -223.67 140.868 -199.282 GPRESSURE: 2770400 109.109 -1.53081 -240.903 -104.696 85.5425 64.1426 -78.6069 78.3555 -152.633 PRESSAVG: 2770400 -13.3627 23.6259 -43.7045 23.6259 43.179 -32.5545 -43.7045 -32.5545 13.2594 GPRESSAVG: 2770400 -12.6615 25.0862 -45.1202 22.5925 43.4596 -31.8215 -41.2713 -35.6788 12.538 TIMING: 2770400 CPU: 8823.7, 0.00311162/step Wall: 8823.7, 0.00311162/step, 1.92713 hours remaining, 240.039062 MB of memory in use. ENERGY: 2770400 3955.1134 20366.8078 14439.2076 269.6965 -203476.6621 2687.1460 0.0000 0.0000 52033.4257 -109725.2652 299.0368 -161758.6909 -109360.7786 298.3993 -9.0549 14.0065 762484.5681 14.3586 14.4454 PRESSURE: 2770600 -150.196 -154.37 80.4601 -154.37 -198.732 73.445 80.4612 73.4435 169.973 GPRESSURE: 2770600 -120.928 -139.383 -52.0205 -147.469 -167.541 64.041 47.1404 4.33091 195.738 PRESSAVG: 2770600 65.6399 -1.55687 36.597 -1.55693 -12.7328 -7.27169 36.597 -7.27153 13.2308 GPRESSAVG: 2770600 66.4849 -2.69035 39.2124 -0.149922 -14.9623 -8.19501 35.4007 -7.11264 14.3147 TIMING: 2770600 CPU: 8824.33, 0.00312842/step Wall: 8824.33, 0.00312842/step, 1.93736 hours remaining, 240.039062 MB of memory in use. ENERGY: 2770600 4003.2116 20420.5990 14446.4504 250.5611 -203488.5211 2654.0220 0.0000 0.0000 51856.1853 -109857.4917 298.0182 -161713.6770 -109496.8540 298.4274 -59.6516 -30.9107 761398.8612 22.0459 21.9458 PRESSURE: 2770800 208.251 -65.3466 -45.7939 -65.3464 260.455 -24.2707 -45.7939 -24.2706 176.703 GPRESSURE: 2770800 204.475 -47.5577 -64.6437 5.07027 325.972 -41.7273 59.1099 145.468 224.793 PRESSAVG: 2770800 2.54226 -51.0643 105.271 -51.0643 -0.905623 30.3742 105.271 30.3742 -7.9354 GPRESSAVG: 2770800 2.86673 -51.8869 103.752 -52.5498 -1.00443 31.2028 103.085 31.4295 -7.98385 TIMING: 2770800 CPU: 8824.95, 0.00312278/step Wall: 8824.95, 0.00312278/step, 1.93369 hours remaining, 240.039062 MB of memory in use. ENERGY: 2770800 4004.1453 20318.9534 14510.6394 243.9735 -203429.0238 2521.0746 0.0000 0.0000 52094.5927 -109735.6449 299.3883 -161830.2375 -109364.8488 298.5602 215.1364 251.7467 761444.6054 -2.0996 -2.0405 PRESSURE: 2771000 28.7116 42.1433 -173.19 42.144 137.718 -285.694 -173.189 -285.694 20.1016 GPRESSURE: 2771000 35.0437 93.9528 -136.328 23.21 238.685 -301.862 -152.992 -201.034 6.77119 PRESSAVG: 2771000 -11.7529 -53.2851 35.6481 -53.2851 -4.83579 25.9919 35.6481 25.992 -13.4206 GPRESSAVG: 2771000 -12.3644 -53.9596 37.083 -54.0999 -2.68202 25.0095 38.0398 27.4585 -14.4532 TIMING: 2771000 CPU: 8825.57, 0.00311526/step Wall: 8825.57, 0.00311526/step, 1.92886 hours remaining, 240.039062 MB of memory in use. ENERGY: 2771000 4018.0554 20681.4735 14495.0580 271.1424 -203761.7761 2869.6623 0.0000 0.0000 51858.2136 -109568.1710 298.0299 -161426.3846 -109207.7154 298.8772 62.1772 93.5001 759497.2768 -10.0031 -9.8332 PRESSURE: 2771200 228.884 -71.877 12.1477 -71.8771 272.137 -244.446 12.1473 -244.446 28.8918 GPRESSURE: 2771200 291.086 -31.3304 49.2491 18.155 190.254 -298.874 79.1377 -200.912 93.4732 PRESSAVG: 2771200 41.6835 -67.1261 10.0669 -67.1261 -31.134 -21.8256 10.0669 -21.8255 16.3248 GPRESSAVG: 2771200 40.749 -64.6842 10.7 -65.6856 -31.7777 -21.9723 8.39585 -22.8829 17.8349 TIMING: 2771200 CPU: 8826.19, 0.00309244/step Wall: 8826.19, 0.00309244/step, 1.91457 hours remaining, 240.039062 MB of memory in use. ENERGY: 2771200 3887.7664 20615.8555 14483.4584 262.6266 -203744.8735 2706.7578 0.0000 0.0000 52269.8727 -109518.5361 300.3957 -161788.4087 -109154.6038 299.4453 176.6375 191.6044 760705.2458 8.9581 8.9354 PRESSURE: 2771400 -330.412 -142.178 -24.6486 -142.179 -150.848 82.8427 -24.6485 82.8426 116.017 GPRESSURE: 2771400 -300.217 -118.543 64.7334 -161.641 -69.0479 37.9549 69.3569 109.024 99.9343 PRESSAVG: 2771400 -24.9716 -21.3663 83.9542 -21.3663 7.8866 -33.0785 83.9542 -33.0785 13.541 GPRESSAVG: 2771400 -24.9392 -21.1824 85.0131 -20.8787 9.22299 -34.0267 84.7838 -33.4104 11.9939 TIMING: 2771400 CPU: 8826.82, 0.00312252/step Wall: 8826.82, 0.00312252/step, 1.93302 hours remaining, 240.039062 MB of memory in use. ENERGY: 2771400 4003.0675 20414.0646 14538.5915 262.3655 -203090.8241 2587.0741 0.0000 0.0000 51952.2309 -109333.4300 298.5702 -161285.6608 -108978.6674 299.2583 -121.7476 -89.7770 763177.1758 -1.1813 -1.2408 PRESSURE: 2771600 229.533 -63.6627 42.5308 -63.6616 155.416 -114.344 42.5307 -114.343 -132.367 GPRESSURE: 2771600 241.845 -10.8882 -9.28908 45.5995 240.352 -64.3399 -17.1265 -11.8069 -152.088 PRESSAVG: 2771600 18.2736 -12.5472 62.5472 -12.5472 -20.1751 -7.4343 62.5472 -7.43428 -12.0089 GPRESSAVG: 2771600 20.2824 -13.8715 59.3006 -12.0826 -21.8344 -7.55982 63.8117 -5.71034 -12.4538 TIMING: 2771600 CPU: 8827.44, 0.00311802/step Wall: 8827.44, 0.00311802/step, 1.93005 hours remaining, 240.039062 MB of memory in use. ENERGY: 2771600 4008.8347 20413.8511 14506.5104 263.0056 -203301.9827 2732.0804 0.0000 0.0000 52023.3410 -109354.3595 298.9789 -161377.7005 -108987.9682 299.3865 84.1941 110.0365 761427.6016 -4.6368 -4.6686 PRESSURE: 2771800 -3.05887 -118.778 -54.838 -118.778 260.977 -161.698 -54.8369 -161.698 767.196 GPRESSURE: 2771800 4.44651 -78.0233 -99.1476 -2.00037 316.575 -132.791 -75.6188 -216.245 804.491 PRESSAVG: 2771800 6.98159 -17.516 13.3976 -17.516 -40.3396 6.46159 13.3976 6.46163 11.8342 GPRESSAVG: 2771800 6.21015 -17.8043 15.071 -16.9988 -40.6115 8.23174 11.4156 3.50206 13.1183 TIMING: 2771800 CPU: 8828.07, 0.00313162/step Wall: 8828.07, 0.00313162/step, 1.9383 hours remaining, 240.039062 MB of memory in use. ENERGY: 2771800 3986.3301 20378.3672 14498.8334 251.6760 -203114.0781 2738.5223 0.0000 0.0000 52062.6509 -109197.6982 299.2048 -161260.3491 -108835.5449 299.6393 341.7046 375.1710 761467.3152 -7.1746 -7.0944 PRESSURE: 2772000 -228.533 -79.9543 -114.525 -79.9543 139.905 -247.238 -114.525 -247.239 57.3481 GPRESSURE: 2772000 -193.562 -17.6858 -78.8295 -123.874 87.8215 -147.957 -135.576 -334.869 173.582 PRESSAVG: 2772000 67.0083 -12.4407 23.379 -12.4407 17.4429 -15.4669 23.379 -15.4669 30.4637 GPRESSAVG: 2772000 68.2169 -14.2799 23.236 -13.3136 17.5443 -16.5694 22.4946 -14.5552 29.4934 TIMING: 2772000 CPU: 8828.69, 0.00311058/step Wall: 8828.69, 0.00311058/step, 1.92511 hours remaining, 240.039062 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: 2772000 3996.5052 20654.1794 14489.9310 240.4274 -203492.2454 2683.3449 0.0000 0.0000 52224.1489 -109203.7087 300.1329 -161427.8576 -108840.0687 299.7074 -10.4264 22.6138 760510.7622 38.3050 38.4182 PRESSURE: 2772200 -171.025 0.226135 68.5093 0.225858 47.7715 230.333 68.5099 230.332 118.623 GPRESSURE: 2772200 -98.8588 58.8902 114.001 -42.6259 94.8778 245.106 26.8711 167.786 104.007 PRESSAVG: 2772200 13.7136 -24.9602 25.4224 -24.9602 -8.74456 10.3574 25.4225 10.3572 -14.6109 GPRESSAVG: 2772200 11.2984 -23.1824 26.119 -26.3835 -8.11587 11.7949 27.8165 9.05854 -12.9225 TIMING: 2772200 CPU: 8829.31, 0.00310086/step Wall: 8829.31, 0.00310086/step, 1.91891 hours remaining, 240.039062 MB of memory in use. ENERGY: 2772200 4032.1627 20502.1397 14474.8066 237.5711 -203602.9741 2972.8138 0.0000 0.0000 52191.6843 -109191.7958 299.9463 -161383.4801 -108835.9790 299.7992 -1.5435 33.3420 761177.9770 -3.2140 -3.2467 LDB: ============= START OF LOAD BALANCING ============== 8841.76 LDB: ============== END OF LOAD BALANCING =============== 8841.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8841.76 LDB: ============= START OF LOAD BALANCING ============== 8842.07 LDB: Largest compute 7031 load 0.033147 is 17.0% of average load 0.195430 LDB: Average compute 0.004366 is 2.2% of average load 0.195430 LDB: TIME 8842.07 LOAD: AVG 0.19543 MAX 0.214612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 8842.07 LOAD: AVG 0.19543 MAX 0.214612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 8842.07 LOAD: AVG 0.19543 MAX 0.214612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 8842.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8842.08 PRESSURE: 2772400 107.411 119.606 84.6765 119.606 -294.664 26.9367 84.676 26.9372 300.189 GPRESSURE: 2772400 104.591 198.221 90.2159 52.5597 -252.887 -67.7146 -86.1101 50.1727 326.133 PRESSAVG: 2772400 67.3728 26.5119 3.04352 26.5118 -47.9709 19.5663 3.04347 19.5663 -1.40924 GPRESSAVG: 2772400 68.5622 27.4131 1.07421 27.6394 -48.5386 19.8745 3.99086 20.0819 -2.29332 TIMING: 2772400 CPU: 8829.95, 0.00317656/step Wall: 8829.95, 0.00317656/step, 1.96559 hours remaining, 239.527344 MB of memory in use. ENERGY: 2772400 3978.1779 20641.0312 14568.1762 253.9324 -203290.1272 2710.4348 0.0000 0.0000 52054.7470 -109083.6277 299.1593 -161138.3747 -108721.9401 300.2124 37.6454 59.2791 761916.9832 5.9975 5.9101 PRESSURE: 2772600 -158.984 68.4752 -294.406 68.4757 122.14 99.6561 -294.406 99.6556 -77.7689 GPRESSURE: 2772600 -134.53 -27.5197 -255.596 -2.66871 182.922 179.453 -219.674 117.604 -71.9514 PRESSAVG: 2772600 46.9069 31.7999 -25.9607 31.7999 -58.2282 1.44766 -25.9607 1.44761 -4.28371 GPRESSAVG: 2772600 44.8496 30.9025 -24.976 31.7363 -57.1054 0.298402 -26.0343 1.27087 -3.70565 TIMING: 2772600 CPU: 8830.57, 0.00311263/step Wall: 8830.57, 0.00311263/step, 1.92585 hours remaining, 239.527344 MB of memory in use. ENERGY: 2772600 3993.2738 20589.3658 14507.2276 250.8487 -203262.0830 2549.5778 0.0000 0.0000 52337.3001 -109034.4892 300.7832 -161371.7893 -108666.0078 299.9433 -38.2043 -7.8530 762311.2805 -5.2017 -5.3205 PRESSURE: 2772800 105.039 -44.7801 129.405 -44.78 -40.6723 118.034 129.405 118.034 76.4987 GPRESSURE: 2772800 156.803 -65.8196 79.7461 -59.7049 5.90884 102.029 23.5938 83.4975 55.7496 PRESSAVG: 2772800 -1.12623 18.7489 -2.9649 18.7489 -58.0735 6.75414 -2.96495 6.75418 -2.61077 GPRESSAVG: 2772800 -0.0914888 19.3186 -3.22918 20.2606 -57.9545 7.4021 -3.1915 8.64759 -2.96045 TIMING: 2772800 CPU: 8831.19, 0.00313195/step Wall: 8831.19, 0.00313195/step, 1.93763 hours remaining, 239.527344 MB of memory in use. ENERGY: 2772800 4061.5936 20633.9718 14457.0256 231.5222 -203445.8202 2827.8208 0.0000 0.0000 52020.7865 -109213.0996 298.9642 -161233.8861 -108837.2785 299.9394 46.9550 72.8204 762595.8576 -20.6035 -20.3355 PRESSURE: 2773000 92.0334 68.3782 26.7807 68.3773 -276.145 56.0861 26.7808 56.0862 -325.815 GPRESSURE: 2773000 56.5889 45.0615 13.8718 -18.2078 -222.429 67.688 -14.2312 -79.6491 -253.956 PRESSAVG: 2773000 51.5917 12.2926 35.4226 12.2926 -14.4317 26.7716 35.4226 26.7715 14.7395 GPRESSAVG: 2773000 52.5204 12.9032 35.3454 10.7215 -15.1046 26.0433 33.8838 26.8331 14.9871 TIMING: 2773000 CPU: 8831.82, 0.00311497/step Wall: 8831.82, 0.00311497/step, 1.92696 hours remaining, 239.527344 MB of memory in use. ENERGY: 2773000 4024.8676 20618.9541 14398.2008 251.6878 -202797.8183 2253.6195 0.0000 0.0000 52119.0960 -109131.3926 299.5292 -161250.4886 -108769.8604 299.6105 -169.9757 -139.9322 761662.1237 17.2999 17.4676 PRESSURE: 2773200 -40.106 -199.88 76.4493 -199.88 -150.719 -55.0275 76.4491 -55.0285 -122.583 GPRESSURE: 2773200 11.7219 -176.628 84.3122 -178.643 -158.493 -39.922 160.311 -36.1978 -97.4198 PRESSAVG: 2773200 64.8975 -13.5022 11.6349 -13.5021 -27.8732 3.8732 11.6348 3.87332 1.66289 GPRESSAVG: 2773200 64.5668 -14.6577 12.9733 -12.1091 -28.2288 2.75636 15.2055 4.66384 2.47699 TIMING: 2773200 CPU: 8832.44, 0.00312581/step Wall: 8832.44, 0.00312581/step, 1.93349 hours remaining, 239.527344 MB of memory in use. ENERGY: 2773200 4075.2951 20635.5227 14502.4120 244.8664 -203184.1095 2507.7142 0.0000 0.0000 52228.5258 -108989.7733 300.1581 -161218.2992 -108618.3419 300.4679 -104.4694 -81.3970 761706.2621 12.8957 12.9383 PRESSURE: 2773400 160.883 -9.33 11.8232 -9.33068 211.668 37.4803 11.8229 37.4793 -148.952 GPRESSURE: 2773400 201.137 81.6275 -60.1656 16.5118 250.573 35.0576 98.0502 -62.8195 -129.529 PRESSAVG: 2773400 -6.16 -42.8747 29.9945 -42.8747 -16.5348 -26.235 29.9945 -26.2351 11.9854 GPRESSAVG: 2773400 -5.32217 -43.1271 28.7115 -42.7575 -15.7217 -25.6926 29.0377 -29.1752 10.9959 TIMING: 2773400 CPU: 8833.06, 0.00311396/step Wall: 8833.06, 0.00311396/step, 1.92599 hours remaining, 239.527344 MB of memory in use. ENERGY: 2773400 4114.0141 20653.7556 14499.8839 247.3370 -203218.9869 2496.5189 0.0000 0.0000 52320.6255 -108886.8518 300.6874 -161207.4773 -108520.4969 300.8323 74.5328 107.3937 760699.9739 -3.5698 -3.3493 PRESSURE: 2773600 -26.7248 100.899 -180.499 100.9 -340.545 20.525 -180.5 20.5248 -136.451 GPRESSURE: 2773600 -12.3189 97.1474 -168.475 84.269 -300.824 39.2941 -151.807 50.3994 -93.484 PRESSAVG: 2773600 -4.87894 -13.2377 16.7547 -13.2377 -9.5818 -15.1205 16.7548 -15.1206 13.5997 GPRESSAVG: 2773600 -4.62517 -14.9308 18.5856 -12.9678 -10.6993 -14.2831 16.452 -13.0155 14.4024 TIMING: 2773600 CPU: 8833.69, 0.00311879/step Wall: 8833.69, 0.00311879/step, 1.9288 hours remaining, 239.527344 MB of memory in use. ENERGY: 2773600 4054.4780 20603.8507 14443.0363 251.5674 -203073.2873 2590.0893 0.0000 0.0000 52294.9294 -108835.3362 300.5397 -161130.2656 -108474.1716 300.8044 -167.9070 -135.5424 762527.8523 -0.2870 -0.3074 PRESSURE: 2773800 97.4952 -44.3274 -103.785 -44.3283 -260.842 -20.7378 -103.786 -20.7382 -57.1908 GPRESSURE: 2773800 75.4131 -26.5032 -116.432 -105.657 -115.161 36.9967 -80.6037 -62.4314 -76.0042 PRESSAVG: 2773800 27.8469 -5.32558 -63.209 -5.32562 -17.4572 29.2667 -63.209 29.2667 1.51759 GPRESSAVG: 2773800 27.681 -2.55836 -65.124 -7.05966 -15.5826 30.4317 -62.8714 26.872 0.193425 TIMING: 2773800 CPU: 8834.32, 0.00313753/step Wall: 8834.32, 0.00313753/step, 1.94021 hours remaining, 239.527344 MB of memory in use. ENERGY: 2773800 4035.2594 20503.8544 14544.1899 248.8104 -202895.2278 2538.7327 0.0000 0.0000 52265.5230 -108758.8580 300.3707 -161024.3810 -108394.7136 300.5262 -73.5125 -38.5842 762030.9158 3.9691 4.0973 PRESSURE: 2774000 98.2673 -144.403 27.2565 -144.403 -445.686 49.6307 27.2565 49.6315 -35.6203 GPRESSURE: 2774000 69.8021 -122.499 74.6029 -93.6615 -345.751 -7.79123 35.6473 96.999 -18.0513 PRESSAVG: 2774000 55.87 -35.755 48.3294 -35.7551 -25.4047 71.0593 48.3294 71.0592 -30.7176 GPRESSAVG: 2774000 55.4151 -37.0418 47.6804 -34.9223 -25.2063 69.6999 48.6943 73.9487 -30.7313 TIMING: 2774000 CPU: 8834.94, 0.0031051/step Wall: 8834.94, 0.0031051/step, 1.91999 hours remaining, 239.527344 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: 2774000 4103.8920 20652.0574 14539.0493 253.7548 -203182.2618 2452.6398 0.0000 0.0000 52461.7124 -108719.1560 301.4982 -161180.8684 -108353.6030 301.3130 -127.6798 -98.0001 759986.2592 -0.0841 -0.1742 PRESSURE: 2774200 -286.363 -82.8101 83.009 -82.8096 -71.2717 43.6114 83.0092 43.613 -304.966 GPRESSURE: 2774200 -242.767 -78.9299 110.513 25.2181 -56.0405 42.3603 8.79626 35.7047 -312.49 PRESSAVG: 2774200 7.3943 11.8054 37.9234 11.8054 22.4891 55.2061 37.9235 55.2061 -11.5229 GPRESSAVG: 2774200 7.03375 12.8658 39.2271 9.33628 23.8787 53.9316 36.7132 56.5179 -12.7456 TIMING: 2774200 CPU: 8835.56, 0.00310708/step Wall: 8835.56, 0.00310708/step, 1.92104 hours remaining, 239.527344 MB of memory in use. ENERGY: 2774200 4004.5421 20704.7233 14492.4565 242.5973 -203148.0705 2498.9566 0.0000 0.0000 52512.5410 -108692.2537 301.7903 -161204.7947 -108322.6923 301.4006 -220.8668 -203.7661 762893.7098 6.1201 6.0556 PRESSURE: 2774400 -251.637 345.403 -52.5913 345.403 -342.058 -55.0102 -52.5906 -55.0098 -258.736 GPRESSURE: 2774400 -173.072 408.602 -108.615 220.172 -347.592 -92.7404 67.4442 -9.86639 -264.421 PRESSAVG: 2774400 -18.235 5.42426 12.4045 5.42417 -7.13233 -7.56624 12.4044 -7.56616 -8.18741 GPRESSAVG: 2774400 -18.9979 5.73926 13.1156 7.11723 -8.72082 -6.08829 12.9981 -10.8869 -5.92007 TIMING: 2774400 CPU: 8836.18, 0.00311025/step Wall: 8836.18, 0.00311025/step, 1.92283 hours remaining, 239.527344 MB of memory in use. ENERGY: 2774400 4026.4945 20725.6625 14518.0468 255.9409 -203239.1362 2516.4341 0.0000 0.0000 52426.4053 -108770.1520 301.2953 -161196.5573 -108419.1330 301.2007 -284.1436 -261.6951 761962.0628 -11.1849 -11.2129 PRESSURE: 2774600 -9.82167 70.5084 4.71 70.5089 163.386 406.991 4.70949 406.991 -0.478003 GPRESSURE: 2774600 -19.0852 132.22 19.4897 83.3821 255.868 350.592 -136.276 461.472 7.13034 PRESSAVG: 2774600 -20.0596 15.243 2.52441 15.2429 12.5733 28.3787 2.52441 28.3786 -14.4666 GPRESSAVG: 2774600 -19.417 12.7685 -0.0156842 14.9487 12.9513 27.25 0.394345 27.7672 -15.6348 TIMING: 2774600 CPU: 8836.8, 0.00312044/step Wall: 8836.8, 0.00312044/step, 1.92895 hours remaining, 239.527344 MB of memory in use. ENERGY: 2774600 4035.3702 20551.2694 14544.3138 263.3386 -203013.1583 2532.4609 0.0000 0.0000 52204.0749 -108882.3305 300.0175 -161086.4053 -108526.6948 300.5061 51.0287 81.3044 761656.7638 -7.3176 -7.3668 PRESSURE: 2774800 1.40511 74.7654 36.9787 74.7652 240.932 93.8018 36.9779 93.801 246.785 GPRESSURE: 2774800 139.067 -7.73879 2.84734 129.871 209.939 154.425 36.7875 39.9783 206.603 PRESSAVG: 2774800 12.2834 -74.921 -4.68715 -74.921 1.34663 40.9807 -4.68716 40.9806 -6.84563 GPRESSAVG: 2774800 12.7704 -73.1559 -4.97207 -75.2569 0.883557 42.5879 -0.668187 41.1779 -6.80145 TIMING: 2774800 CPU: 8837.43, 0.00311391/step Wall: 8837.43, 0.00311391/step, 1.92474 hours remaining, 239.527344 MB of memory in use. ENERGY: 2774800 3992.6434 20503.0654 14586.9137 234.0564 -203091.5940 2526.3350 0.0000 0.0000 52375.9937 -108872.5865 301.0056 -161248.5801 -108512.5543 300.5290 163.0406 185.2032 760911.4029 2.2615 2.2842 PRESSURE: 2775000 -128.469 -171.983 113.957 -171.983 -81.2106 16.2994 113.957 16.3003 -36.4898 GPRESSURE: 2775000 -122.345 -199.341 80.1425 -261.98 9.04634 51.7227 139.985 -23.873 -39.1262 PRESSAVG: 2775000 -24.6014 -39.7518 3.26422 -39.7518 3.74574 32.788 3.26423 32.788 18.5296 GPRESSAVG: 2775000 -24.7753 -38.9334 4.49112 -40.6159 3.57733 33.0477 1.13233 33.656 18.9119 TIMING: 2775000 CPU: 8838.05, 0.00310314/step Wall: 8838.05, 0.00310314/step, 1.91791 hours remaining, 239.527344 MB of memory in use. ENERGY: 2775000 4069.4690 20461.9682 14526.1181 255.5640 -203311.7516 2817.7884 0.0000 0.0000 52225.2689 -108955.5750 300.1393 -161180.8439 -108584.9230 300.0071 -82.0564 -50.8083 761042.8506 -0.7753 -0.7620 PRESSURE: 2775200 82.8216 129.819 36.1133 129.819 -254.076 83.0677 36.1132 83.0675 49.2446 GPRESSURE: 2775200 89.8939 81.1122 12.7635 118.636 -231.28 58.5754 -103.04 -68.94 115.591 PRESSAVG: 2775200 50.9864 -2.96517 84.6406 -2.96514 -74.5532 41.5995 84.6405 41.5995 -14.1439 GPRESSAVG: 2775200 50.1308 -4.25193 86.0609 -2.86805 -74.312 41.011 83.4695 40.6604 -13.3644 TIMING: 2775200 CPU: 8838.67, 0.00311938/step Wall: 8838.67, 0.00311938/step, 1.92778 hours remaining, 239.527344 MB of memory in use. ENERGY: 2775200 3944.9265 20607.5668 14417.9522 260.7082 -202662.1615 2382.7588 0.0000 0.0000 52004.4956 -109043.7534 298.8706 -161048.2490 -108677.3987 300.0535 -40.6698 -8.5983 762639.5505 -12.5702 -12.5152 PRESSURE: 2775400 80.7746 -6.63977 -62.2957 -6.63921 -57.022 -97.0223 -62.2956 -97.0228 317.847 GPRESSURE: 2775400 102.023 -57.2386 -1.99719 101.266 80.5961 -40.9082 -89.4115 6.87627 268.042 PRESSAVG: 2775400 -49.1792 -68.9834 4.29094 -68.9834 20.4717 -4.30087 4.29096 -4.30093 18.8463 GPRESSAVG: 2775400 -49.5088 -67.0603 4.22222 -67.6119 21.0198 -4.45168 5.87858 -2.98879 18.1876 TIMING: 2775400 CPU: 8839.29, 0.00310231/step Wall: 8839.29, 0.00310231/step, 1.91705 hours remaining, 239.527344 MB of memory in use. ENERGY: 2775400 3921.4536 20476.3569 14533.1419 241.0638 -203125.1303 2651.2287 0.0000 0.0000 52412.1484 -108889.7369 301.2133 -161301.8853 -108519.5225 300.2528 113.8667 150.2203 762658.7479 -3.2871 -3.4338 PRESSURE: 2775600 -260.445 -194.284 -60.1097 -194.284 -52.1595 -20.6865 -60.1101 -20.6859 -318.361 GPRESSURE: 2775600 -226.527 -193.187 -59.6981 -149.314 -61.2456 -34.344 -184.995 -19.6438 -282.111 PRESSAVG: 2775600 -0.321718 -49.9028 16.6945 -49.9028 -17.6065 18.1264 16.6945 18.1264 5.79028 GPRESSAVG: 2775600 0.0318607 -49.8421 15.5495 -50.2006 -18.1688 18.7789 17.3301 18.7839 5.9918 TIMING: 2775600 CPU: 8839.92, 0.00311959/step Wall: 8839.92, 0.00311959/step, 1.92756 hours remaining, 239.527344 MB of memory in use. ENERGY: 2775600 4079.2535 20409.1706 14460.3181 251.2162 -203022.8905 2481.6063 0.0000 0.0000 52380.4548 -108960.8709 301.0312 -161341.3257 -108580.5341 300.3003 -210.3220 -189.9611 761395.6583 -4.0460 -4.0484 PRESSURE: 2775800 -196.023 -91.6878 346.508 -91.6876 -423.325 124.35 346.508 124.351 -23.9685 GPRESSURE: 2775800 -130.604 -127.536 368.974 3.86762 -354.159 186.028 345.064 -10.248 -53.7907 PRESSAVG: 2775800 3.5367 -11.7053 79.3401 -11.7054 -4.96979 29.1241 79.3401 29.124 14.7066 GPRESSAVG: 2775800 3.12658 -13.5446 79.4219 -11.1073 -5.33149 29.4156 78.3939 27.3643 15.3558 TIMING: 2775800 CPU: 8840.54, 0.00310309/step Wall: 8840.54, 0.00310309/step, 1.91719 hours remaining, 239.527344 MB of memory in use. ENERGY: 2775800 3956.4564 20528.1081 14455.1208 243.5214 -202767.5826 2099.2939 0.0000 0.0000 52438.6531 -109046.4289 301.3657 -161485.0819 -108669.4705 300.3460 -214.4389 -179.5180 762742.9562 4.4245 4.3836 PRESSURE: 2776000 92.6176 -114.559 -120.878 -114.559 -182.783 -166.953 -120.877 -166.952 -261.33 GPRESSURE: 2776000 147.388 -96.7612 -1.87417 -80.6904 -186.777 -168.214 -113.808 -70.5529 -225.864 PRESSAVG: 2776000 76.4932 -28.2885 17.0996 -28.2885 -55.9058 -25.2749 17.0996 -25.275 6.63624 GPRESSAVG: 2776000 78.8527 -27.6672 18.4738 -28.564 -56.8734 -26.1937 16.1453 -23.1583 5.01042 TIMING: 2776000 CPU: 8841.16, 0.00309517/step Wall: 8841.16, 0.00309517/step, 1.91213 hours remaining, 239.527344 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: 2776000 4072.3396 20405.8032 14497.0452 250.1768 -202782.6586 2342.5577 0.0000 0.0000 52139.7094 -109075.0266 299.6476 -161214.7360 -108696.6238 300.3133 -117.1651 -88.4173 763192.5860 9.0745 8.9966 PRESSURE: 2776200 83.3092 -15.5659 -106.442 -15.5655 -47.758 -56.5375 -106.443 -56.5377 -281.274 GPRESSURE: 2776200 126.922 -106.62 -76.7977 -22.2664 47.2502 -1.72226 -127.663 -64.9414 -325.761 PRESSAVG: 2776200 71.9045 45.2215 12.6319 45.2214 -87.0804 12.0664 12.6319 12.0663 4.89997 GPRESSAVG: 2776200 71.1029 45.0967 10.9964 45.4139 -85.6164 11.8679 14.9742 12.3224 4.61103 TIMING: 2776200 CPU: 8841.78, 0.00311785/step Wall: 8841.78, 0.00311785/step, 1.92596 hours remaining, 239.527344 MB of memory in use. ENERGY: 2776200 3964.3364 20430.8085 14505.3178 265.3349 -203311.8727 2668.7767 0.0000 0.0000 52250.2810 -109227.0174 300.2831 -161477.2984 -108859.9365 299.6820 -81.9075 -50.5296 761557.2165 -3.4253 -3.3008 LDB: ============= START OF LOAD BALANCING ============== 8854.23 LDB: ============== END OF LOAD BALANCING =============== 8854.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8854.23 LDB: ============= START OF LOAD BALANCING ============== 8854.54 LDB: Largest compute 7031 load 0.032240 is 16.5% of average load 0.195291 LDB: Average compute 0.004380 is 2.2% of average load 0.195291 LDB: TIME 8854.54 LOAD: AVG 0.195291 MAX 0.216684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 8854.54 LOAD: AVG 0.195291 MAX 0.216684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 8854.54 LOAD: AVG 0.195291 MAX 0.216684 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 8854.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8854.55 PRESSURE: 2776400 183.221 250.012 154.577 250.011 -33.2683 48.5869 154.578 48.5856 -120.79 GPRESSURE: 2776400 97.5749 46.3896 43.7869 269.471 67.7875 83.0431 192.041 -23.7511 -75.4304 PRESSAVG: 2776400 47.0586 34.01 41.0594 34.01 0.470076 33.2509 41.0594 33.2508 12.4528 GPRESSAVG: 2776400 45.8353 33.7764 39.8731 34.4715 1.35233 34.2972 41.4737 31.3054 12.0478 TIMING: 2776400 CPU: 8842.41, 0.0031691/step Wall: 8842.41, 0.0031691/step, 1.95745 hours remaining, 241.578125 MB of memory in use. ENERGY: 2776400 3958.2455 20571.4063 14450.2075 254.0382 -203124.5422 2460.3618 0.0000 0.0000 51899.4197 -109530.8631 298.2667 -161430.2829 -109163.7820 299.6880 9.7209 29.9773 760457.5105 19.9938 19.7451 PRESSURE: 2776600 -236.955 0.279646 331.937 0.279367 -146.777 -82.0256 331.938 -82.0264 -231.255 GPRESSURE: 2776600 -195.996 -45.942 330.45 -42.6372 -155.226 5.36663 111.251 -106.766 -167.704 PRESSAVG: 2776600 -1.33847 -66.642 3.30729 -66.6419 52.4859 12.2516 3.30723 12.2515 3.79548 GPRESSAVG: 2776600 -1.42832 -66.0279 3.78287 -66.0626 51.4583 12.9616 4.55125 13.2628 4.7873 TIMING: 2776600 CPU: 8843.04, 0.00310969/step Wall: 8843.04, 0.00310969/step, 1.92058 hours remaining, 241.578125 MB of memory in use. ENERGY: 2776600 4005.9850 20418.2504 14490.9812 255.9369 -203317.3791 2433.9867 0.0000 0.0000 52151.7494 -109560.4895 299.7168 -161712.2388 -109193.5144 298.8905 -204.9955 -172.9752 759535.1806 18.3143 18.2724 PRESSURE: 2776800 39.5291 129.555 100.392 129.555 -76.8149 -55.3191 100.393 -55.3201 419.401 GPRESSURE: 2776800 118.052 31.7666 50.7922 129.672 8.83834 -35.9069 102.089 -8.63762 335.899 PRESSAVG: 2776800 48.3702 36.0192 -6.43076 36.0192 -41.2763 -2.85717 -6.43078 -2.85714 9.87114 GPRESSAVG: 2776800 48.2546 36.5622 -5.11846 35.9283 -39.8962 -4.8906 -10.1563 -3.03413 8.276 TIMING: 2776800 CPU: 8843.66, 0.00310268/step Wall: 8843.66, 0.00310268/step, 1.91607 hours remaining, 241.578125 MB of memory in use. ENERGY: 2776800 3970.0539 20447.4047 14411.5111 242.1687 -203355.9862 2533.7706 0.0000 0.0000 52235.1789 -109515.8983 300.1963 -161751.0772 -109157.1432 299.1525 127.3717 154.2633 760597.7857 5.6550 5.5448 PRESSURE: 2777000 -39.8696 159.905 -52.4594 159.905 -180.131 16.5459 -52.4588 16.5462 -137.942 GPRESSURE: 2777000 -14.8156 188.638 -113.214 78.6176 -204.78 99.0768 -126.611 -8.97998 -59.8706 PRESSAVG: 2777000 -6.41837 23.1912 29.1861 23.1912 25.6093 34.6357 29.1862 34.6357 -15.2638 GPRESSAVG: 2777000 -6.92914 22.8924 27.7167 22.929 24.9707 36.476 29.908 33.1268 -14.1925 TIMING: 2777000 CPU: 8844.28, 0.00310888/step Wall: 8844.28, 0.00310888/step, 1.91974 hours remaining, 241.578125 MB of memory in use. ENERGY: 2777000 3995.6322 20625.9562 14456.2649 244.6303 -202988.2169 2475.1045 0.0000 0.0000 51740.7156 -109449.9131 297.3546 -161190.6288 -109098.6098 298.8739 -119.3140 -93.1554 761982.8710 1.3090 1.2830 PRESSURE: 2777200 -200.102 -148.327 -94.7081 -148.327 -158.246 64.7973 -94.7077 64.7966 324.452 GPRESSURE: 2777200 -13.5578 -58.9495 -102.601 -181.788 -198.488 32.6846 51.6387 97.5868 251.815 PRESSAVG: 2777200 7.00234 -1.74559 -7.89756 -1.74555 5.71737 58.7853 -7.89749 58.7853 2.41811 GPRESSAVG: 2777200 9.48321 -2.13565 -8.09878 -1.24709 4.00054 58.0913 -7.58627 58.0956 0.824872 TIMING: 2777200 CPU: 8844.9, 0.00310461/step Wall: 8844.9, 0.00310461/step, 1.91693 hours remaining, 241.578125 MB of memory in use. ENERGY: 2777200 3929.2361 20539.2859 14502.7582 245.5147 -203338.3544 2502.7989 0.0000 0.0000 52076.0226 -109542.7380 299.2816 -161618.7606 -109175.2550 298.6188 -11.2988 13.2566 762612.0166 5.0459 4.7695 PRESSURE: 2777400 -227.529 99.4863 -14.3591 99.4872 -32.7417 126.809 -14.3595 126.81 16.5193 GPRESSURE: 2777400 -178.558 52.2628 37.9173 67.6558 -28.0716 116.048 50.3884 -25.4797 56.4428 PRESSAVG: 2777400 -12.3668 -41.6992 -25.7284 -41.6992 46.8622 -20.0929 -25.7284 -20.0929 1.36149 GPRESSAVG: 2777400 -14.2185 -42.4098 -24.0402 -41.0569 47.2763 -21.3457 -24.9743 -17.652 3.42739 TIMING: 2777400 CPU: 8845.52, 0.00310643/step Wall: 8845.52, 0.00310643/step, 1.91788 hours remaining, 241.578125 MB of memory in use. ENERGY: 2777400 3927.2144 20681.6290 14425.4004 254.1023 -203165.7452 2493.2153 0.0000 0.0000 51832.7358 -109551.4481 297.8834 -161384.1839 -109188.8652 298.6235 -81.2504 -50.0622 763068.3401 11.9523 12.1617 PRESSURE: 2777600 -21.326 -218.236 -99.1013 -218.236 121.468 306.494 -99.1015 306.492 -276.287 GPRESSURE: 2777600 86.152 -171.677 -64.8062 -137.246 101.898 285.905 -137.52 169.075 -274.55 PRESSAVG: 2777600 1.38618 -0.0565624 -18.8483 -0.0565769 -19.112 29.9017 -18.8484 29.9017 9.3962 GPRESSAVG: 2777600 1.21176 0.235299 -19.0864 0.928561 -18.1191 30.4437 -20.4023 27.5782 8.30837 TIMING: 2777600 CPU: 8846.14, 0.00310909/step Wall: 8846.14, 0.00310909/step, 1.91935 hours remaining, 241.578125 MB of memory in use. ENERGY: 2777600 3986.4249 20525.1657 14546.8387 239.0227 -203506.9209 2676.5524 0.0000 0.0000 52012.6566 -109520.2599 298.9175 -161532.9165 -109168.7089 299.1165 -58.7150 -28.8334 762512.0921 -2.7765 -2.8663 PRESSURE: 2777800 352.167 15.9324 -28.9509 15.9324 259.925 -317.364 -28.9512 -317.363 260.783 GPRESSURE: 2777800 384.008 -110.891 -43.6675 49.1083 225.642 -286.987 -47.8115 -291.075 351.614 PRESSAVG: 2777800 10.8832 -32.3317 -31.7853 -32.3318 10.5665 7.12057 -31.7853 7.12062 -33.1843 GPRESSAVG: 2777800 10.2454 -32.5024 -31.1282 -34.8644 9.79323 7.8905 -32.3393 7.49661 -31.7682 TIMING: 2777800 CPU: 8846.77, 0.00312612/step Wall: 8846.77, 0.00312612/step, 1.92968 hours remaining, 241.578125 MB of memory in use. ENERGY: 2777800 4011.4993 20472.2230 14463.3883 245.4915 -203547.5224 2796.5178 0.0000 0.0000 52228.0532 -109330.3493 300.1553 -161558.4025 -108967.2097 299.4926 290.9583 320.4213 762110.3501 -3.9115 -3.9098 PRESSURE: 2778000 -461.994 -29.017 250.556 -29.0159 -166.326 -294.8 250.556 -294.8 -525.774 GPRESSURE: 2778000 -444.724 13.5731 267.307 -104.76 -133.06 -303.404 222.5 -233.089 -489.117 PRESSAVG: 2778000 47.3779 -41.438 19.302 -41.438 -52.2598 -7.84264 19.302 -7.84263 -3.14742 GPRESSAVG: 2778000 48.3559 -40.9271 19.4885 -40.1354 -52.6083 -10.2841 18.8791 -4.55818 -3.72622 TIMING: 2778000 CPU: 8847.39, 0.00310271/step Wall: 8847.39, 0.00310271/step, 1.91506 hours remaining, 241.578125 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: 2778000 4061.2697 20565.1418 14483.5523 262.4175 -203064.1828 2381.1532 0.0000 0.0000 52082.9457 -109227.7026 299.3214 -161310.6483 -108877.1668 299.9305 -384.6980 -355.6335 763136.1534 -2.6764 -2.6595 PRESSURE: 2778200 -147.973 148.947 61.5643 148.948 -173.159 221.194 61.5644 221.194 -1.6343 GPRESSURE: 2778200 -88.2097 130.981 -17.6887 33.4019 -123.497 246.666 119.388 220.35 -22.5746 PRESSAVG: 2778200 18.5843 -28.9478 -35.5736 -28.9477 1.06109 18.037 -35.5736 18.037 4.34606 GPRESSAVG: 2778200 17.8866 -30.3065 -37.6095 -28.6894 1.51841 17.7643 -32.5466 17.6032 4.58651 TIMING: 2778200 CPU: 8848.01, 0.00313195/step Wall: 8848.01, 0.00313195/step, 1.93293 hours remaining, 241.578125 MB of memory in use. ENERGY: 2778200 4008.4882 20395.4088 14526.4804 250.6244 -203042.0297 2371.1061 0.0000 0.0000 52341.8667 -109148.0552 300.8094 -161489.9219 -108770.7689 299.8846 -107.5886 -78.0936 762123.5060 7.9971 7.9972 PRESSURE: 2778400 -265.625 56.4615 -116.062 56.4616 -196.547 30.6306 -116.061 30.6304 75.1888 GPRESSURE: 2778400 -170.875 10.0162 -97.2102 130.063 -166.144 -10.1284 -179.36 -17.1635 31.2696 PRESSAVG: 2778400 23.7221 25.1004 30.1994 25.1004 0.491215 6.3777 30.1994 6.37775 -0.840497 GPRESSAVG: 2778400 24.5706 24.3214 29.8635 24.8562 0.268978 9.17224 28.4372 3.94981 -1.63666 TIMING: 2778400 CPU: 8848.64, 0.0031256/step Wall: 8848.64, 0.0031256/step, 1.92884 hours remaining, 241.578125 MB of memory in use. ENERGY: 2778400 3967.4690 20604.0800 14505.8849 260.6849 -203253.4310 2586.8180 0.0000 0.0000 52073.3270 -109255.1671 299.2661 -161328.4941 -108889.3964 299.7857 -128.9944 -101.9167 762351.8592 7.7910 7.7343 PRESSURE: 2778600 -276.986 -18.1357 -299.322 -18.1361 -168.387 25.2429 -299.322 25.2415 -22.7884 GPRESSURE: 2778600 -217.276 -8.69833 -282.22 1.61139 -149.748 -39.6028 -261.899 117.037 -22.8024 PRESSAVG: 2778600 12.2236 0.179635 -11.7014 0.179621 47.15 -15.9268 -11.7014 -15.9268 8.29967 GPRESSAVG: 2778600 10.9341 1.9849 -11.5362 -0.466678 47.7142 -17.2703 -10.9547 -15.3231 8.98376 TIMING: 2778600 CPU: 8849.26, 0.00312798/step Wall: 8849.26, 0.00312798/step, 1.93013 hours remaining, 241.578125 MB of memory in use. ENERGY: 2778600 4110.5515 20496.0262 14450.0613 239.4272 -202589.8118 2190.8703 0.0000 0.0000 51980.8465 -109122.0288 298.7346 -161102.8753 -108753.3876 299.7295 -156.0535 -129.9423 762534.4703 22.5578 22.5440 PRESSURE: 2778800 59.8341 -201.811 126.997 -201.812 -9.47131 -0.779693 126.996 -0.779728 -314.322 GPRESSURE: 2778800 107.028 -171.299 91.8513 -111.384 -35.0059 -0.308074 148.841 -31.8762 -273.059 PRESSAVG: 2778800 -3.12764 -22.7465 1.85658 -22.7465 29.5548 -1.34172 1.85658 -1.34171 -1.40269 GPRESSAVG: 2778800 -3.09115 -23.0862 0.884149 -21.355 28.6554 -0.983127 2.50601 -1.94262 -0.927656 TIMING: 2778800 CPU: 8849.89, 0.00311889/step Wall: 8849.89, 0.00311889/step, 1.92435 hours remaining, 241.578125 MB of memory in use. ENERGY: 2778800 3973.8019 20371.1813 14563.9635 240.8268 -203037.3058 2286.8236 0.0000 0.0000 52304.1625 -109296.5461 300.5927 -161600.7086 -108931.8450 299.3465 -87.9864 -67.0122 761487.0120 8.3415 8.2122 PRESSURE: 2779000 -253.428 -3.19007 55.1782 -3.18934 -14.4222 81.0431 55.1776 81.0426 -295.23 GPRESSURE: 2779000 -293.774 11.261 55.2733 -19.8516 68.3438 115.331 24.3955 117.11 -253.175 PRESSAVG: 2779000 13.3881 -16.0986 -1.18959 -16.0987 20.5381 10.7893 -1.18954 10.7892 1.88035 GPRESSAVG: 2779000 13.3789 -18.066 1.81724 -15.3885 21.2815 13.3593 -2.71973 11.6766 1.77893 TIMING: 2779000 CPU: 8850.51, 0.00311672/step Wall: 8850.51, 0.00311672/step, 1.92284 hours remaining, 241.578125 MB of memory in use. ENERGY: 2779000 3952.1402 20479.6984 14529.5179 256.2250 -203158.5465 2384.5144 0.0000 0.0000 52205.5627 -109350.8878 300.0261 -161556.4505 -108989.1930 298.8958 -187.6934 -159.5348 762289.5409 11.9355 12.1465 PRESSURE: 2779200 48.3019 -47.5005 -59.7436 -47.5008 -0.649806 -232.869 -59.7438 -232.87 -200.861 GPRESSURE: 2779200 49.0164 -9.04203 -55.5465 -46.8319 104.508 -256.992 -144.461 -181.962 -206.682 PRESSAVG: 2779200 12.6284 -9.63962 -4.68075 -9.63958 -0.201197 30.8539 -4.68076 30.8539 -21.6995 GPRESSAVG: 2779200 11.6291 -7.57929 -5.58037 -12.1475 1.16185 29.561 -4.85965 30.2424 -21.8206 TIMING: 2779200 CPU: 8851.14, 0.00311725/step Wall: 8851.14, 0.00311725/step, 1.923 hours remaining, 241.578125 MB of memory in use. ENERGY: 2779200 4033.7449 20171.7737 14456.5562 243.1142 -203407.4690 2764.2717 0.0000 0.0000 52044.7260 -109693.2822 299.1018 -161738.0083 -109335.0571 298.8927 -51.0698 -17.7192 760479.6391 -3.0908 -3.0099 PRESSURE: 2779400 -59.7308 -144.143 -173.333 -144.143 -291.745 -132.345 -173.333 -132.345 -55.967 GPRESSURE: 2779400 -58.6815 -188.999 -134.441 -113.492 -198.998 -112.159 -234.466 -108.42 -56.7423 PRESSAVG: 2779400 13.2329 -83.3099 -24.4525 -83.3099 -15.2368 -28.4503 -24.4525 -28.4504 3.56892 GPRESSAVG: 2779400 14.4643 -84.7432 -25.2079 -82.8002 -16.9673 -30.363 -24.8639 -28.4262 3.54848 TIMING: 2779400 CPU: 8851.75, 0.00309838/step Wall: 8851.75, 0.00309839/step, 1.91119 hours remaining, 241.578125 MB of memory in use. ENERGY: 2779400 4095.0115 20365.8811 14450.6308 238.3251 -203048.5087 2244.6409 0.0000 0.0000 51977.2416 -109676.7777 298.7139 -161654.0193 -109315.9211 298.3191 -135.8144 -104.8073 761913.0398 0.5217 0.3485 PRESSURE: 2779600 556.764 -12.0229 28.308 -12.0228 399.715 123.094 28.308 123.095 320.803 GPRESSURE: 2779600 521.882 9.07959 32.975 69.2845 472.138 101.66 38.9263 103.713 349.974 PRESSAVG: 2779600 -31.9702 -22.3998 -67.9612 -22.3998 24.166 -42.9762 -67.9612 -42.9762 -4.41268 GPRESSAVG: 2779600 -33.0072 -21.6405 -67.7302 -21.1337 25.9988 -42.5017 -64.8324 -45.6014 -4.93105 TIMING: 2779600 CPU: 8852.37, 0.00309399/step Wall: 8852.37, 0.00309399/step, 1.9083 hours remaining, 241.578125 MB of memory in use. ENERGY: 2779600 3905.4463 20441.9112 14493.5920 243.8448 -202962.9245 2506.9347 0.0000 0.0000 52016.1161 -109355.0792 298.9373 -161371.1954 -108990.5288 298.6449 425.7606 447.9981 761866.7715 -4.0723 -3.9798 PRESSURE: 2779800 151.84 154.954 -155.58 154.955 -181.31 28.6923 -155.58 28.6921 122.256 GPRESSURE: 2779800 245.701 170.081 -107.754 85.701 -144.939 -30.6437 -154.717 101.393 90.2923 PRESSAVG: 2779800 -39.753 -39.2142 4.23932 -39.2143 12.857 -64.5445 4.2393 -64.5445 -13.7756 GPRESSAVG: 2779800 -38.2975 -38.0037 5.63054 -39.3811 13.0125 -63.5178 1.63996 -61.4261 -15.1097 TIMING: 2779800 CPU: 8852.99, 0.00310374/step Wall: 8852.99, 0.00310374/step, 1.91415 hours remaining, 241.578125 MB of memory in use. ENERGY: 2779800 3869.5558 20489.4896 14441.7076 241.3522 -203250.8801 2543.5103 0.0000 0.0000 52028.0986 -109637.1660 299.0062 -161665.2646 -109279.7952 298.9037 30.9286 63.6848 760888.4504 -13.5572 -13.4649 PRESSURE: 2780000 -394.735 48.4008 138.121 48.4014 -215.132 104.822 138.121 104.823 138.512 GPRESSURE: 2780000 -307.256 141.168 109.523 -2.35583 -216.778 159.182 222.672 113.456 123.062 PRESSAVG: 2780000 3.2271 4.96438 5.37815 4.96445 -32.6291 16.0149 5.37816 16.015 11.399 GPRESSAVG: 2780000 3.97966 5.12397 3.80625 3.21804 -34.1122 16.5063 5.74933 16.2752 12.2479 TIMING: 2780000 CPU: 8853.62, 0.00311093/step Wall: 8853.62, 0.00311093/step, 1.91841 hours remaining, 241.578125 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: 2780000 4030.4598 20451.4859 14431.5503 267.3895 -203088.4275 2371.5206 0.0000 0.0000 51908.0973 -109627.9242 298.3165 -161536.0215 -109273.3203 298.6487 -157.1183 -133.6572 762119.8298 -6.0010 -5.9615 PRESSURE: 2780200 -152.853 -182.887 -157.99 -182.887 -20.3768 2.272 -157.99 2.27182 83.9612 GPRESSURE: 2780200 -64.6121 -131.867 -166.391 -189.896 -38.7133 3.76814 -116.75 -69.4639 107.667 PRESSAVG: 2780200 28.6599 -59.5602 -73.0114 -59.5602 -5.63595 15.2993 -73.0113 15.2994 11.706 GPRESSAVG: 2780200 27.8088 -59.5692 -73.9331 -60.8319 -4.51463 14.6094 -71.7589 13.5852 11.8655 TIMING: 2780200 CPU: 8854.24, 0.00310235/step Wall: 8854.24, 0.00310234/step, 1.91294 hours remaining, 241.578125 MB of memory in use. ENERGY: 2780200 3932.0386 20401.9558 14587.5834 241.5265 -203399.1205 2453.2231 0.0000 0.0000 51849.8201 -109932.9730 297.9816 -161782.7930 -109567.5801 298.6581 -29.7562 1.4474 761569.7515 11.5767 11.7199 LDB: ============= START OF LOAD BALANCING ============== 8866.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8866.69 LDB: =============== DONE WITH MIGRATION ================ 8866.69 LDB: ============= START OF LOAD BALANCING ============== 8867 LDB: Largest compute 7031 load 0.034082 is 17.4% of average load 0.195437 LDB: Average compute 0.004388 is 2.2% of average load 0.195437 LDB: TIME 8867 LOAD: AVG 0.195437 MAX 0.216294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 8867 LOAD: AVG 0.195437 MAX 0.216294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 8867 LOAD: AVG 0.195437 MAX 0.216294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 8867.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8867.01 PRESSURE: 2780400 195.672 73.6285 159.142 73.6289 86.8075 88.1515 159.142 88.1519 108.208 GPRESSURE: 2780400 195.606 82.101 95.7476 -35.0395 95.5221 66.4649 161.363 102.291 193.312 PRESSAVG: 2780400 -48.5394 -15.6081 -33.3638 -15.6081 67.2639 8.34594 -33.3639 8.34604 -3.33149 GPRESSAVG: 2780400 -47.7002 -17.1556 -32.9795 -12.9219 66.6824 6.12847 -32.2143 9.90449 -3.67796 TIMING: 2780400 CPU: 8854.88, 0.00319013/step Wall: 8854.88, 0.00319013/step, 1.96689 hours remaining, 239.324219 MB of memory in use. ENERGY: 2780400 3985.0784 20210.4831 14494.8929 255.0003 -203509.3893 2457.2711 0.0000 0.0000 52112.1061 -109994.5576 299.4890 -162106.6636 -109642.5884 298.3382 130.2291 161.4802 761684.9403 5.1310 5.1014 PRESSURE: 2780600 343.189 -135.012 52.1139 -135.014 -112.258 86.4011 52.1143 86.4008 492.547 GPRESSURE: 2780600 359.597 -143.414 34.7441 -109.361 11.2231 -25.4651 -52.0716 162.326 450.734 PRESSAVG: 2780600 -10.1105 -51.5443 -25.0959 -51.5443 -44.6029 -15.127 -25.0958 -15.127 -29.7441 GPRESSAVG: 2780600 -11.3775 -51.4817 -25.1543 -52.3418 -44.5006 -14.6046 -25.7562 -13.5511 -28.8127 TIMING: 2780600 CPU: 8855.5, 0.0031083/step Wall: 8855.5, 0.0031083/step, 1.91627 hours remaining, 239.324219 MB of memory in use. ENERGY: 2780600 3926.1364 20323.5251 14470.8930 232.4411 -203592.8333 2933.6072 0.0000 0.0000 51947.2095 -109759.0209 298.5413 -161706.2304 -109393.7769 298.1784 241.1592 273.8514 761843.8237 -28.1525 -28.2303 PRESSURE: 2780800 110.821 -177.262 -4.30441 -177.262 8.3937 -25.3848 -4.30442 -25.3846 -20.5583 GPRESSURE: 2780800 176.632 -138.653 -22.4209 -80.903 -30.0484 15.1378 99.004 -74.5582 53.3533 PRESSAVG: 2780800 105.616 -86.0494 10.5759 -86.0494 -93.9204 2.91718 10.5759 2.91711 -7.41978 GPRESSAVG: 2780800 105.837 -86.0733 12.2222 -84.434 -94.5297 3.88292 10.9699 -1.15314 -7.24539 TIMING: 2780800 CPU: 8856.12, 0.00311698/step Wall: 8856.12, 0.00311698/step, 1.92145 hours remaining, 239.324219 MB of memory in use. ENERGY: 2780800 3991.4566 20452.1935 14495.9624 255.2896 -203225.5313 2426.8063 0.0000 0.0000 51735.9941 -109867.8289 297.3275 -161603.8230 -109511.7933 298.7495 32.8856 66.6455 762614.4982 1.4252 1.3539 PRESSURE: 2781000 122.766 -27.8396 -136.861 -27.8389 22.2599 48.4798 -136.861 48.4793 254.027 GPRESSURE: 2781000 171.255 5.42966 -149.589 -169.835 -16.872 29.2242 -106.922 24.0614 318.069 PRESSAVG: 2781000 23.7631 -89.6505 -46.6319 -89.6505 -10.3187 -45.6296 -46.6319 -45.6296 8.58379 GPRESSAVG: 2781000 22.2419 -90.7102 -48.3742 -92.3854 -8.06871 -45.3629 -49.1581 -44.2185 7.43861 TIMING: 2781000 CPU: 8856.74, 0.00310549/step Wall: 8856.74, 0.00310549/step, 1.91419 hours remaining, 239.324219 MB of memory in use. ENERGY: 2781000 3917.2954 20559.2486 14485.5383 268.0129 -203742.6805 2677.9474 0.0000 0.0000 51867.7122 -109966.9257 298.0845 -161834.6379 -109606.9942 298.2374 133.0177 157.4840 762728.0399 7.3427 7.2039 PRESSURE: 2781200 -315.176 39.5026 16.8306 39.5024 -72.7383 36.8367 16.8303 36.8375 -20.9777 GPRESSURE: 2781200 -306.005 72.0872 45.5404 -98.4938 -21.9765 58.2832 -12.4316 21.1997 12.4304 PRESSAVG: 2781200 26.3575 -28.4474 -1.19258 -28.4474 -29.0493 2.94051 -1.19262 2.94051 -9.07651 GPRESSAVG: 2781200 28.8232 -26.159 0.0954294 -27.8538 -30.6217 2.5317 -1.05545 3.83495 -9.58952 TIMING: 2781200 CPU: 8857.36, 0.00310808/step Wall: 8857.36, 0.00310808/step, 1.91562 hours remaining, 239.324219 MB of memory in use. ENERGY: 2781200 4016.0188 20426.5292 14421.5184 252.9335 -203886.9324 3099.1876 0.0000 0.0000 51731.3667 -109939.3782 297.3009 -161670.7449 -109583.2106 298.3556 -136.2974 -105.1837 763341.7312 -3.9228 -3.7960 PRESSURE: 2781400 -109.012 -94.096 124.529 -94.0962 28.2824 162.392 124.529 162.392 201.042 GPRESSURE: 2781400 -98.6374 -102.312 97.4072 -159.97 91.003 124.093 61.3326 135.165 190.702 PRESSAVG: 2781400 19.0804 -95.8818 -13.3978 -95.8818 1.19526 23.1302 -13.3978 23.1301 1.13218 GPRESSAVG: 2781400 18.156 -96.1041 -13.9942 -96.1076 0.788565 22.9133 -14.6811 20.1396 2.73939 TIMING: 2781400 CPU: 8857.98, 0.00310317/step Wall: 8857.98, 0.00310317/step, 1.91242 hours remaining, 239.324219 MB of memory in use. ENERGY: 2781400 4003.9721 20306.7093 14512.3010 257.0557 -203492.3818 2624.5137 0.0000 0.0000 51753.9390 -110033.8910 297.4306 -161787.8300 -109680.4426 297.6193 40.1040 61.0225 761683.9619 7.1360 7.2280 PRESSURE: 2781600 308.102 155.499 -139.167 155.499 -41.4093 -188.2 -139.165 -188.199 -40.9414 GPRESSURE: 2781600 280.172 129.203 -82.3709 143.458 14.8868 -136.824 -173.696 -40.6544 12.3147 PRESSAVG: 2781600 -15.7373 -24.7115 26.0976 -24.7115 -2.56701 -6.31431 26.0976 -6.31431 -2.91304 GPRESSAVG: 2781600 -15.8564 -27.1029 25.4823 -23.7391 -1.83944 -6.37565 27.35 -3.78425 -3.81933 TIMING: 2781600 CPU: 8858.61, 0.0031116/step Wall: 8858.61, 0.0031116/step, 1.91744 hours remaining, 239.324219 MB of memory in use. ENERGY: 2781600 3941.2093 20483.2779 14421.8714 252.2525 -203790.7305 2869.8002 0.0000 0.0000 51893.9447 -109928.3744 298.2352 -161822.3191 -109579.4382 298.4120 75.2503 102.4579 762012.1831 -7.0725 -7.1717 PRESSURE: 2781800 35.6287 -43.2 -317.335 -43.2 -28.4442 -24.879 -317.335 -24.8784 124.481 GPRESSURE: 2781800 126.498 -103.73 -268.815 48.6769 -77.5989 66.6113 -354.002 18.2686 168.204 PRESSAVG: 2781800 34.1618 -81.5901 -38.0586 -81.5901 -12.0208 -17.5484 -38.0586 -17.5483 27.5314 GPRESSAVG: 2781800 34.1505 -82.0342 -37.3898 -81.4292 -12.9468 -15.3209 -38.4779 -19.7282 28.835 TIMING: 2781800 CPU: 8859.23, 0.00310789/step Wall: 8859.23, 0.00310789/step, 1.91498 hours remaining, 239.324219 MB of memory in use. ENERGY: 2781800 4015.0986 20400.7535 14467.8604 239.6533 -203464.8893 2645.0726 0.0000 0.0000 52038.4314 -109658.0196 299.0656 -161696.4510 -109291.4215 298.4391 43.8884 72.3679 760367.9881 16.5575 16.6796 PRESSURE: 2782000 275.581 136.901 61.2669 136.902 125.117 52.6004 61.2671 52.5999 180.54 GPRESSURE: 2782000 435.369 103.172 -20.1651 50.2966 86.4519 -83.5115 145.772 -9.68062 148.078 PRESSAVG: 2782000 84.6157 -74.491 -25.4128 -74.491 -28.0568 -14.9577 -25.4129 -14.9577 -12.3349 GPRESSAVG: 2782000 84.8984 -73.5411 -24.8522 -76.3208 -26.8238 -15.8685 -24.483 -12.6647 -13.9397 TIMING: 2782000 CPU: 8859.85, 0.00308985/step Wall: 8859.85, 0.00308985/step, 1.90369 hours remaining, 239.324219 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: 2782000 3973.3423 20484.5201 14540.3210 242.9493 -203530.7942 2627.0796 0.0000 0.0000 52097.7705 -109564.8115 299.4066 -161662.5820 -109207.5512 298.7065 193.7463 223.2994 760865.6251 14.7413 14.7116 PRESSURE: 2782200 -177.049 -38.4289 -119.058 -38.4275 -112.166 104.166 -119.058 104.168 541.883 GPRESSURE: 2782200 -188.091 92.0189 -120.985 -114.169 23.6863 126.345 -197.048 86.9004 509.911 PRESSAVG: 2782200 -9.8095 44.5508 -11.4737 44.5508 -37.3066 -9.65917 -11.4737 -9.65917 3.44797 GPRESSAVG: 2782200 -10.4542 45.9038 -11.2325 45.7485 -36.2015 -10.4591 -11.142 -8.99496 3.54381 TIMING: 2782200 CPU: 8860.47, 0.00310686/step Wall: 8860.47, 0.00310686/step, 1.914 hours remaining, 239.324219 MB of memory in use. ENERGY: 2782200 3973.2430 20475.3702 14470.9759 262.9001 -203981.1595 2887.3249 0.0000 0.0000 52394.5740 -109516.7713 301.1123 -161911.3453 -109155.4544 299.5678 84.2225 115.1687 761762.1534 -14.5560 -14.3706 PRESSURE: 2782400 95.5142 16.5372 -34.228 16.5382 35.6611 1.8122 -34.229 1.81286 -451.664 GPRESSURE: 2782400 175.041 68.8366 -3.65075 101.426 -7.05972 -15.7504 146.194 -57.8927 -400.251 PRESSAVG: 2782400 1.59457 -0.408086 -27.1651 -0.408074 10.2742 13.367 -27.1651 13.367 7.07527 GPRESSAVG: 2782400 1.66838 -1.48832 -27.2381 1.6488 9.38834 13.3357 -26.5452 11.2387 7.61987 TIMING: 2782400 CPU: 8861.09, 0.00310336/step Wall: 8861.09, 0.00310336/step, 1.91167 hours remaining, 239.324219 MB of memory in use. ENERGY: 2782400 4043.9503 20664.7848 14508.6587 266.0037 -203038.6498 2400.0624 0.0000 0.0000 52126.4610 -109028.7289 299.5715 -161155.1899 -108670.9215 299.6562 -106.8296 -77.4231 762823.1998 6.3147 6.2255 PRESSURE: 2782600 -206.596 38.7805 -35.8974 38.7805 -175.515 -17.4477 -35.8981 -17.4482 -263.637 GPRESSURE: 2782600 -261.477 72.6138 -68.874 142.099 -45.3009 14.3772 -26.5824 -90.3944 -245.456 PRESSAVG: 2782600 -38.2524 -1.15025 -13.5025 -1.15019 -10.8739 1.46614 -13.5025 1.46612 -1.89023 GPRESSAVG: 2782600 -37.1311 -2.5014 -14.7794 -1.70479 -11.3197 -0.117971 -11.8658 1.59466 -2.63507 TIMING: 2782600 CPU: 8861.71, 0.00310734/step Wall: 8861.71, 0.00310734/step, 1.91395 hours remaining, 239.324219 MB of memory in use. ENERGY: 2782600 4069.4881 20634.0962 14512.4877 258.0717 -203525.4712 2597.4349 0.0000 0.0000 52308.2993 -109145.5934 300.6165 -161453.8927 -108793.0837 300.2568 -215.2492 -184.0779 759807.2771 -17.0055 -17.0286 PRESSURE: 2782800 -180.77 7.40947 39.8992 7.40974 -60.017 -199.296 39.8985 -199.296 150.883 GPRESSURE: 2782800 -33.1124 -13.9287 119.705 12.8176 -67.7769 -232.528 80.4934 -249.692 106.417 PRESSAVG: 2782800 -21.1492 -3.149 -18.6777 -3.14902 30.107 1.06039 -18.6778 1.06039 -19.0785 GPRESSAVG: 2782800 -20.8808 -1.89709 -16.5249 -4.27208 29.895 4.3123 -21.1029 1.61137 -19.0623 TIMING: 2782800 CPU: 8862.33, 0.00310202/step Wall: 8862.33, 0.00310202/step, 1.9105 hours remaining, 239.324219 MB of memory in use. ENERGY: 2782800 3943.4142 20591.1996 14486.6072 259.0924 -203278.8272 2726.7301 0.0000 0.0000 52002.6615 -109269.1221 298.8600 -161271.7836 -108910.3095 300.3402 -29.9679 1.8425 761031.0359 -3.3736 -3.3494 PRESSURE: 2783000 -191.949 -99.9802 -45.2606 -99.9798 -332.403 -8.22732 -45.2599 -8.2292 231.793 GPRESSURE: 2783000 -143.609 -54.2875 50.4582 -122.64 -328.487 -92.685 -7.29935 5.68273 257.726 PRESSAVG: 2783000 -25.6687 -18.2269 -36.0156 -18.2269 -14.0565 8.23332 -36.0156 8.23327 4.5014 GPRESSAVG: 2783000 -26.019 -16.9687 -37.3574 -18.4923 -13.8233 6.56536 -34.9037 8.39805 4.82677 TIMING: 2783000 CPU: 8862.95, 0.00310878/step Wall: 8862.95, 0.00310878/step, 1.91449 hours remaining, 239.324219 MB of memory in use. ENERGY: 2783000 3958.6301 20500.7935 14483.2955 227.7455 -203032.4479 2435.4948 0.0000 0.0000 52115.9983 -109310.4901 299.5114 -161426.4884 -108939.0812 299.6227 -97.5199 -71.4566 761391.6300 -11.7413 -11.6719 PRESSURE: 2783200 307.51 120.784 -87.4089 120.784 -110.86 -172.068 -87.4083 -172.069 388.177 GPRESSURE: 2783200 361.101 24.6659 -108.262 48.3455 -125.877 -111.638 52.2023 -85.3208 424.817 PRESSAVG: 2783200 18.2334 -24.178 -15.0022 -24.178 -38.4626 5.03553 -15.0023 5.03555 -7.07887 GPRESSAVG: 2783200 18.7257 -24.5751 -16.1764 -24.1504 -39.5885 4.86716 -13.6635 3.7933 -6.5368 TIMING: 2783200 CPU: 8863.57, 0.00310834/step Wall: 8863.57, 0.00310834/step, 1.91404 hours remaining, 239.324219 MB of memory in use. ENERGY: 2783200 4077.0522 20571.3363 14549.0682 237.4260 -203431.5746 2598.7973 0.0000 0.0000 51816.5284 -109581.3662 297.7903 -161397.8946 -109214.3111 299.7618 194.9424 220.0138 761900.2077 -9.1027 -9.1332 PRESSURE: 2783400 40.8825 15.6901 -66.5323 15.6902 -248.803 -110.889 -66.533 -110.889 205.162 GPRESSURE: 2783400 46.5673 -31.8729 -27.287 -13.8175 -170.669 -139.407 -61.6089 -30.3064 223.257 PRESSAVG: 2783400 23.0509 -18.8505 -63.5506 -18.8506 -15.4324 56.8255 -63.5506 56.8255 14.4459 GPRESSAVG: 2783400 20.9568 -18.0516 -62.868 -20.2336 -12.8912 57.0366 -65.4959 57.6312 13.5825 TIMING: 2783400 CPU: 8864.2, 0.00312833/step Wall: 8864.2, 0.00312833/step, 1.92618 hours remaining, 239.324219 MB of memory in use. ENERGY: 2783400 3975.7291 20504.5349 14525.6781 252.1397 -203597.5110 2840.8205 0.0000 0.0000 52102.3161 -109396.2926 299.4327 -161498.6087 -109036.0739 299.3739 -0.9195 33.0520 760658.1336 7.3548 7.2160 PRESSURE: 2783600 -111.739 -66.4772 16.2071 -66.4769 -166.728 0.111814 16.2067 0.112679 -406.023 GPRESSURE: 2783600 -113.104 -30.7456 20.2912 -100.386 -101.762 8.53617 24.3996 70.8334 -395.22 PRESSAVG: 2783600 58.7943 -2.51302 -63.1244 -2.51303 -43.5897 -21.3736 -63.1244 -21.3736 4.46771 GPRESSAVG: 2783600 58.6703 -4.99918 -63.4597 0.846674 -43.6678 -21.0795 -62.055 -20.5344 4.15624 TIMING: 2783600 CPU: 8864.82, 0.00309903/step Wall: 8864.82, 0.00309903/step, 1.90797 hours remaining, 239.324219 MB of memory in use. ENERGY: 2783600 3999.3000 20566.4666 14551.0156 257.4405 -203356.6569 2481.7561 0.0000 0.0000 52279.3507 -109221.3275 300.4501 -161500.6782 -108854.9883 300.0630 -228.1633 -203.3620 762665.8750 6.5574 6.3863 PRESSURE: 2783800 -1.7405 -152.929 -126.185 -152.929 179.03 65.9443 -126.185 65.9438 -49.8774 GPRESSURE: 2783800 55.4882 -149.945 -141.727 -179.895 137.859 76.7814 -80.1318 43.9801 25.2141 PRESSAVG: 2783800 8.37318 -67.918 -13.623 -67.918 15.4983 30.9643 -13.623 30.9643 -7.7953 GPRESSAVG: 2783800 9.71717 -66.6435 -13.9538 -70.6176 13.9724 32.1522 -14.0705 28.7775 -7.61564 TIMING: 2783800 CPU: 8865.44, 0.00311416/step Wall: 8865.44, 0.00311416/step, 1.91711 hours remaining, 239.324219 MB of memory in use. ENERGY: 2783800 4052.5763 20552.8435 14461.1383 228.7872 -203590.6865 2777.1813 0.0000 0.0000 51976.0482 -109542.1118 298.7071 -161518.1600 -109179.7044 299.5742 42.4707 72.8538 762158.4068 5.3587 5.3580 PRESSURE: 2784000 -88.854 -164.966 138.345 -164.966 -131.871 -7.74728 138.346 -7.74807 192.107 GPRESSURE: 2784000 -143.654 -55.3402 107.863 -137.833 -60.6118 -51.1499 102.078 -122.915 245.066 PRESSAVG: 2784000 -0.972581 -85.0602 -49.9379 -85.0602 -3.74427 10.5522 -49.9379 10.5522 10.8221 GPRESSAVG: 2784000 -0.642444 -84.9867 -48.7423 -84.1434 -4.46399 8.11448 -49.5683 10.7274 11.5194 TIMING: 2784000 CPU: 8866.06, 0.00310694/step Wall: 8866.06, 0.00310694/step, 1.91249 hours remaining, 239.324219 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: 2784000 3955.5165 20551.8664 14510.4946 256.5290 -203461.2118 2529.6331 0.0000 0.0000 52050.7343 -109606.4378 299.1363 -161657.1721 -109243.3766 298.7782 -9.5393 13.6000 760294.1486 2.0351 2.1377 PRESSURE: 2784200 -415.536 -75.7372 -160.886 -75.7372 -478.281 -19.9254 -160.886 -19.9238 -273.775 GPRESSURE: 2784200 -330.552 -58.0972 -66.5938 -35.7871 -449.399 -58.9004 -194.58 40.8114 -292.722 PRESSAVG: 2784200 -27.3616 -21.4771 42.5974 -21.4771 -14.6387 8.98517 42.5975 8.98518 -7.94928 GPRESSAVG: 2784200 -27.6736 -19.8648 43.5268 -23.1082 -12.5404 10.5347 40.3759 9.75911 -9.9869 TIMING: 2784200 CPU: 8866.69, 0.00312043/step Wall: 8866.69, 0.00312043/step, 1.92063 hours remaining, 239.324219 MB of memory in use. ENERGY: 2784200 4011.1358 20363.8422 14454.6099 257.0717 -203473.1490 2576.6292 0.0000 0.0000 52047.3695 -109762.4907 299.1169 -161809.8602 -109398.2746 298.6248 -389.1975 -357.5575 762542.7401 -16.6499 -16.7337 LDB: ============= START OF LOAD BALANCING ============== 8879.13 LDB: ============== END OF LOAD BALANCING =============== 8879.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8879.13 LDB: ============= START OF LOAD BALANCING ============== 8879.45 LDB: Largest compute 7031 load 0.032347 is 16.6% of average load 0.195351 LDB: Average compute 0.004384 is 2.2% of average load 0.195351 LDB: TIME 8879.45 LOAD: AVG 0.195351 MAX 0.215625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 8879.45 LOAD: AVG 0.195351 MAX 0.215625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 8879.45 LOAD: AVG 0.195351 MAX 0.215625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 8879.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8879.46 PRESSURE: 2784400 -261.339 189.065 116.432 189.064 30.9797 155.082 116.431 155.081 27.8829 GPRESSURE: 2784400 -250.681 188.917 97.022 95.3758 103.924 148.291 100.419 121.59 42.3634 PRESSAVG: 2784400 -13.2978 22.7128 10.0435 22.7127 22.5196 45.3243 10.0435 45.3243 -21.4383 GPRESSAVG: 2784400 -13.6691 23.0033 9.12971 22.9777 22.3371 46.0775 11.8734 45.0041 -20.9717 TIMING: 2784400 CPU: 8867.32, 0.00318145/step Wall: 8867.32, 0.00318145/step, 1.95801 hours remaining, 240.093750 MB of memory in use. ENERGY: 2784400 3947.1818 20471.4125 14457.0066 248.1596 -203836.7205 2733.8065 0.0000 0.0000 51916.7548 -110062.3988 298.3663 -161979.1535 -109698.2968 298.4644 -67.4920 -34.7979 761242.9710 -4.0722 -4.1012 PRESSURE: 2784600 176.793 -38.238 8.46753 -38.238 230.432 184.875 8.46804 184.875 -222.768 GPRESSURE: 2784600 152.478 -104.231 48.546 -116.099 228.784 264.254 -48.6517 167.542 -117.362 PRESSAVG: 2784600 2.00531 -3.31299 -22.2139 -3.31304 30.4194 20.2979 -22.214 20.2979 -11.7316 GPRESSAVG: 2784600 3.513 -4.42879 -22.5568 -0.910005 29.491 18.503 -23.4344 19.4706 -12.0156 TIMING: 2784600 CPU: 8867.94, 0.00309807/step Wall: 8867.94, 0.00309807/step, 1.90652 hours remaining, 240.160156 MB of memory in use. ENERGY: 2784600 3955.7837 20487.3399 14507.3406 271.7710 -203803.0063 2727.3447 0.0000 0.0000 51912.2980 -109941.1284 298.3407 -161853.4264 -109580.6605 298.3517 61.4853 87.9669 760687.6401 6.8977 6.9961 PRESSURE: 2784800 8.1476 -231.701 35.2224 -231.701 268.401 234.886 35.2232 234.887 165.384 GPRESSURE: 2784800 40.2278 -209.06 77.0377 -53.9864 218.651 221.322 74.3154 219.432 254.871 PRESSAVG: 2784800 -19.3552 -29.5692 -37.793 -29.5692 -25.3347 24.6896 -37.793 24.6896 2.46576 GPRESSAVG: 2784800 -19.8957 -30.2053 -33.6402 -29.7734 -24.6111 25.3396 -38.5389 24.6097 2.96885 TIMING: 2784800 CPU: 8868.57, 0.00311729/step Wall: 8868.57, 0.00311729/step, 1.91817 hours remaining, 240.160156 MB of memory in use. ENERGY: 2784800 3959.4487 20543.3733 14470.8478 234.3789 -203395.4778 2459.1182 0.0000 0.0000 51953.7635 -109774.5473 298.5790 -161728.3108 -109409.3328 298.3635 147.3107 171.2499 759727.8323 -14.0747 -13.8460 PRESSURE: 2785000 -238.441 60.1307 -57.7265 60.1307 -376.937 -93.592 -57.7256 -93.5926 -315.846 GPRESSURE: 2785000 -214.221 43.8323 -15.1203 -22.0836 -300.656 -193.455 -38.9219 -8.8167 -353.446 PRESSAVG: 2785000 -30.0921 33.6534 10.2514 33.6533 1.16105 -2.00626 10.2513 -2.00631 3.27786 GPRESSAVG: 2785000 -29.8308 35.4824 6.77293 32.6131 0.823051 -4.01766 12.3724 -2.32588 3.91829 TIMING: 2785000 CPU: 8869.19, 0.00309778/step Wall: 8869.19, 0.00309777/step, 1.90599 hours remaining, 240.160156 MB of memory in use. ENERGY: 2785000 3946.0076 20535.2147 14510.5016 262.9204 -203410.7906 2308.2072 0.0000 0.0000 51992.4019 -109855.5373 298.8010 -161847.9391 -109493.0754 298.5687 -310.4080 -289.4408 760929.6359 -8.5510 -8.3631 PRESSURE: 2785200 -77.3349 -132.476 200.809 -132.476 145.972 -168.984 200.808 -168.985 218.405 GPRESSURE: 2785200 -38.4365 -67.4893 138.233 -132.193 228.981 -98.2437 284.814 -77.8685 190.049 PRESSAVG: 2785200 -32.5863 -14.6861 34.8797 -14.686 43.5231 5.24197 34.8798 5.24194 7.49924 GPRESSAVG: 2785200 -33.2835 -16.5834 34.8845 -13.2785 42.9888 7.03241 34.9819 7.36892 8.13407 TIMING: 2785200 CPU: 8869.8, 0.00309688/step Wall: 8869.8, 0.00309688/step, 1.90527 hours remaining, 240.160156 MB of memory in use. ENERGY: 2785200 3882.7200 20305.4794 14549.1350 263.2070 -203498.2689 2510.2801 0.0000 0.0000 51989.1079 -109998.3394 298.7821 -161987.4473 -109645.2009 298.0656 95.6806 126.8647 759594.9636 6.1454 5.9465 PRESSURE: 2785400 263.698 -92.2469 183.068 -92.2465 125.197 -84.2064 183.068 -84.206 -7.71403 GPRESSURE: 2785400 344.657 -149.826 167.806 -81.3222 107.794 -28.2038 236.014 15.3885 7.82516 PRESSAVG: 2785400 -13.0628 10.9136 1.7785 10.9137 43.4645 -53.8562 1.77844 -53.8563 10.8556 GPRESSAVG: 2785400 -14.3911 10.7784 1.85385 9.17003 43.7517 -53.5203 1.69674 -54.3317 12.04 TIMING: 2785400 CPU: 8870.42, 0.00309569/step Wall: 8870.42, 0.00309569/step, 1.90437 hours remaining, 240.160156 MB of memory in use. ENERGY: 2785400 4020.0022 20119.1624 14562.1012 239.2382 -203680.4167 2773.9518 0.0000 0.0000 51971.9163 -109994.0446 298.6833 -161965.9609 -109630.7506 297.9757 127.0605 153.4255 760340.4132 13.7525 13.8002 PRESSURE: 2785600 -29.4788 -201.317 -204.007 -201.318 -59.292 77.3818 -204.007 77.3825 315.652 GPRESSURE: 2785600 -28.455 -190.137 -188.95 -154.818 52.3075 74.9399 -268.864 117.057 299.023 PRESSAVG: 2785600 29.8326 -28.6729 32.7878 -28.6729 -21.4167 -9.83172 32.7878 -9.83164 -7.93302 GPRESSAVG: 2785600 29.9595 -27.9409 33.814 -29.4083 -20.3598 -7.61562 32.1264 -10.9737 -8.89044 TIMING: 2785600 CPU: 8871.04, 0.00309609/step Wall: 8871.04, 0.00309609/step, 1.90444 hours remaining, 240.160156 MB of memory in use. ENERGY: 2785600 4001.7563 20367.1928 14453.0728 232.1113 -203745.5861 2920.7200 0.0000 0.0000 52016.5704 -109754.1625 298.9399 -161770.7329 -109395.7497 298.4123 75.6270 107.6252 761744.1808 0.1610 0.2364 PRESSURE: 2785800 -69.2218 19.6567 -56.8993 19.6566 -137.661 -31.4111 -56.8996 -31.4119 -228.191 GPRESSURE: 2785800 53.6018 90.0326 -56.6128 -28.2651 -164.024 -11.9939 -10.726 -67.7479 -236.632 PRESSAVG: 2785800 -6.14233 4.3371 58.2158 4.33705 -11.8403 21.8816 58.2158 21.8816 -13.9998 GPRESSAVG: 2785800 -5.47921 5.05176 56.5622 5.04292 -11.8474 20.409 60.5052 22.7406 -14.7194 TIMING: 2785800 CPU: 8871.66, 0.00310899/step Wall: 8871.66, 0.00310899/step, 1.9122 hours remaining, 240.160156 MB of memory in use. ENERGY: 2785800 3960.5867 20475.4019 14472.1008 257.4738 -203635.8894 2643.3781 0.0000 0.0000 52097.8132 -109729.1348 299.4068 -161826.9480 -109351.2568 298.6742 -145.0245 -115.6847 762519.5152 -10.6608 -10.6820 PRESSURE: 2786000 -158.258 -91.074 17.2979 -91.0739 -261.532 186.206 17.2984 186.206 158.845 GPRESSURE: 2786000 -150.326 -47.1045 -51.2541 49.1141 -157.385 239.192 152.315 129.971 139.473 PRESSAVG: 2786000 34.7731 -3.29286 -7.96949 -3.29294 -57.0416 5.04129 -7.9695 5.0413 4.43073 GPRESSAVG: 2786000 36.4484 -2.4979 -7.13513 -4.16687 -58.0792 4.30795 -9.71151 5.71345 4.08979 TIMING: 2786000 CPU: 8872.29, 0.00312605/step Wall: 8872.29, 0.00312605/step, 1.92252 hours remaining, 240.160156 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: 2786000 3946.2806 20581.9396 14426.5887 265.8844 -203259.5956 2396.9723 0.0000 0.0000 52160.6950 -109481.2349 299.7682 -161641.9299 -109121.5672 298.8307 -86.9817 -56.0793 762023.1555 -5.9459 -5.8470 PRESSURE: 2786200 -116.665 -128.981 208.22 -128.981 220.26 142.973 208.219 142.972 -178.747 GPRESSURE: 2786200 -57.6232 -139.172 218.309 -11.4363 224.361 138.612 92.7816 141.273 -150.789 PRESSAVG: 2786200 17.4877 -22.8583 -7.85161 -22.8583 18.6647 14.5336 -7.85159 14.5336 17.9932 GPRESSAVG: 2786200 17.7738 -24.0673 -8.95076 -21.2307 17.7623 13.3961 -6.16247 13.3072 18.6176 TIMING: 2786200 CPU: 8872.91, 0.00310957/step Wall: 8872.91, 0.00310957/step, 1.91222 hours remaining, 240.160156 MB of memory in use. ENERGY: 2786200 3972.7846 20557.2791 14486.3082 236.2175 -203288.5446 2591.7235 0.0000 0.0000 51953.4489 -109490.7828 298.5772 -161444.2317 -109126.4139 299.2039 -25.0508 5.3162 760268.3373 18.0485 18.0512 PRESSURE: 2786400 -107.881 49.8945 68.5121 49.8955 -34.4628 31.047 68.5113 31.0467 320.301 GPRESSURE: 2786400 1.59145 44.1729 41.809 -46.9638 28.426 22.3239 72.2549 117.2 224.904 PRESSAVG: 2786400 -27.8973 11.104 -1.98535 11.104 26.5811 4.73373 -1.98528 4.73371 -27.9333 GPRESSAVG: 2786400 -29.0387 8.70075 0.0929797 10.1069 27.582 6.0965 -5.27611 3.86732 -27.866 TIMING: 2786400 CPU: 8873.54, 0.003124/step Wall: 8873.54, 0.003124/step, 1.92091 hours remaining, 240.160156 MB of memory in use. ENERGY: 2786400 4019.3459 20530.5548 14461.0586 237.3229 -203408.3122 2790.9545 0.0000 0.0000 51923.6509 -109445.4245 298.4059 -161369.0754 -109087.7560 298.8857 59.3189 84.9737 761491.8495 -9.7498 -9.7742 PRESSURE: 2786600 283.101 -35.373 -112.285 -35.3724 -75.7933 19.3352 -112.285 19.3361 -298.37 GPRESSURE: 2786600 318.366 -75.339 -34.9566 9.51789 -72.9991 -1.06299 -94.9029 -28.9308 -261.219 PRESSAVG: 2786600 37.3986 9.90963 11.9584 9.90967 -50.3197 -8.07437 11.9584 -8.07442 10.4391 GPRESSAVG: 2786600 37.212 10.1694 11.9289 9.87707 -49.7565 -8.09899 12.4209 -6.90993 9.90882 TIMING: 2786600 CPU: 8874.16, 0.00311327/step Wall: 8874.16, 0.00311327/step, 1.91414 hours remaining, 240.160156 MB of memory in use. ENERGY: 2786600 3971.2395 20620.1159 14469.6625 262.8331 -203303.1967 2399.0883 0.0000 0.0000 51910.4489 -109669.8085 298.3301 -161580.2575 -109303.6429 298.6754 -30.3542 -5.2840 761743.9801 -0.8273 -0.8786 PRESSURE: 2786800 -180.146 116.555 27.6332 116.556 -251.783 -5.31436 27.6343 -5.31283 249.227 GPRESSURE: 2786800 -84.5292 202.608 35.8872 90.7126 -224.682 -41.8794 42.5296 -31.8515 216.252 PRESSAVG: 2786800 -56.7352 -1.61056 -2.71445 -1.61063 36.4252 17.1986 -2.71448 17.1986 6.5303 GPRESSAVG: 2786800 -55.327 0.903827 -4.57571 -2.21364 35.1707 18.1621 1.64401 17.4113 6.94726 TIMING: 2786800 CPU: 8874.78, 0.0031161/step Wall: 8874.78, 0.0031161/step, 1.91571 hours remaining, 240.160156 MB of memory in use. ENERGY: 2786800 3917.8597 20342.8468 14492.1649 250.9133 -203269.1844 2667.9346 0.0000 0.0000 51928.1214 -109669.3437 298.4316 -161597.4651 -109312.7326 298.6067 -60.9006 -30.9864 763113.7351 -4.5932 -4.4030 PRESSURE: 2787000 111.183 193.275 202.706 193.276 139.503 14.8955 202.707 14.8958 -83.1277 GPRESSURE: 2787000 79.8935 120.951 213.537 172.267 136.516 -20.0129 296.433 -31.6095 47.8199 PRESSAVG: 2787000 -24.2261 35.2152 41.507 35.2152 12.3321 62.2913 41.507 62.2913 23.889 GPRESSAVG: 2787000 -24.8274 34.5135 43.6526 33.5837 13.1147 58.7205 38.1708 63.4563 23.5969 TIMING: 2787000 CPU: 8875.41, 0.00312916/step Wall: 8875.41, 0.00312916/step, 1.92357 hours remaining, 240.160156 MB of memory in use. ENERGY: 2787000 4006.9071 20493.5060 14491.7903 262.1130 -203216.1606 2644.3520 0.0000 0.0000 51772.1163 -109545.3759 297.5351 -161317.4922 -109187.8923 298.6798 55.8531 88.0766 761554.1906 3.9983 3.9614 PRESSURE: 2787200 -76.9018 -27.809 5.07647 -27.8089 -33.6131 64.9907 5.07634 64.9912 -154.238 GPRESSURE: 2787200 -80.8721 -20.537 -18.9635 -31.1921 -5.89399 12.066 12.2547 58.3023 -103.293 PRESSAVG: 2787200 74.0596 1.03037 -1.19539 1.03039 -22.3046 13.5658 -1.19532 13.5658 10.2189 GPRESSAVG: 2787200 73.3698 0.554266 -3.65633 1.90886 -21.2199 17.122 0.534868 12.0321 10.0054 TIMING: 2787200 CPU: 8876.03, 0.00311201/step Wall: 8876.03, 0.00311201/step, 1.91285 hours remaining, 240.160156 MB of memory in use. ENERGY: 2787200 4023.4574 20507.4031 14454.0509 256.5897 -203254.0026 2533.7578 0.0000 0.0000 51935.4821 -109543.2617 298.4739 -161478.7438 -109183.1815 298.7411 -88.2509 -63.3530 761310.8179 20.6580 20.7185 PRESSURE: 2787400 -338.941 63.7003 -134.044 63.7003 -143.29 213.556 -134.044 213.556 200.457 GPRESSURE: 2787400 -217.625 98.2833 16.1114 138.516 -106.198 238.626 -149.083 61.6851 140.826 PRESSAVG: 2787400 29.8376 19.8217 -25.7365 19.8217 -65.8127 27.6719 -25.7365 27.6719 15.5335 GPRESSAVG: 2787400 31.1102 19.2895 -24.114 23.3205 -66.541 26.2885 -27.549 30.6645 15.6755 TIMING: 2787400 CPU: 8876.65, 0.00310186/step Wall: 8876.65, 0.00310186/step, 1.90644 hours remaining, 240.160156 MB of memory in use. ENERGY: 2787400 4047.6217 20455.9472 14470.1338 234.6086 -203362.2206 2527.1966 0.0000 0.0000 52236.9122 -109389.8006 300.2063 -161626.7128 -109025.2124 298.9697 -93.9245 -60.9990 759676.6515 -6.8139 -6.5851 PRESSURE: 2787600 -122.967 3.55801 -202.016 3.55789 -479.252 174.378 -202.015 174.378 -7.72323 GPRESSURE: 2787600 -116.687 -52.5196 -168.438 -3.51813 -426.848 176.072 -92.2485 62.6417 18.8502 PRESSAVG: 2787600 44.1925 -21.0708 -13.0034 -21.0708 0.0075194 39.7468 -13.0034 39.7467 12.333 GPRESSAVG: 2787600 43.5908 -20.4663 -12.6297 -23.6817 -0.505205 39.1809 -14.1113 37.751 13.8509 TIMING: 2787600 CPU: 8877.27, 0.00309732/step Wall: 8877.27, 0.00309732/step, 1.90348 hours remaining, 240.160156 MB of memory in use. ENERGY: 2787600 3979.3519 20535.4584 14557.6851 233.4255 -203162.7982 2207.3903 0.0000 0.0000 51947.2890 -109702.1979 298.5418 -161649.4869 -109345.0870 298.4097 -203.3142 -174.8949 761516.8637 18.8443 18.9788 PRESSURE: 2787800 250.311 155.404 23.2266 155.403 -23.4127 -239.876 23.2263 -239.876 -382.734 GPRESSURE: 2787800 128.758 100.26 43.6018 121.059 135.21 -178.402 -51.6174 -129.611 -338.731 PRESSAVG: 2787800 26.2077 50.2579 -8.99544 50.258 -24.2988 30.9781 -8.99545 30.9782 0.580643 GPRESSAVG: 2787800 24.5334 52.4574 -8.35523 48.5801 -22.3562 29.6306 -8.90875 33.2901 0.694588 TIMING: 2787800 CPU: 8877.89, 0.00311456/step Wall: 8877.89, 0.00311456/step, 1.91389 hours remaining, 240.160156 MB of memory in use. ENERGY: 2787800 4077.2437 20654.2984 14561.0281 243.7717 -203517.9344 2435.9333 0.0000 0.0000 52025.3772 -109520.2820 298.9906 -161545.6592 -109157.0017 298.6971 -51.9452 -24.9211 759300.0506 0.8298 0.9573 PRESSURE: 2788000 -12.2593 -58.2372 -56.26 -58.2373 -5.16204 -85.3773 -56.2602 -85.3784 -230.475 GPRESSURE: 2788000 -21.2204 51.8996 -166.829 -92.4584 20.9336 -86.5188 -11.1654 -84.6724 -162.637 PRESSAVG: 2788000 18.0938 74.6921 37.9945 74.6921 -12.9142 -31.5295 37.9945 -31.5295 3.33943 GPRESSAVG: 2788000 19.4606 72.4555 37.178 75.1022 -13.952 -30.3529 39.0507 -33.0771 3.12964 TIMING: 2788000 CPU: 8878.51, 0.00310238/step Wall: 8878.51, 0.00310238/step, 1.90624 hours remaining, 240.160156 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: 2788000 3921.2616 20501.9284 14417.0222 235.0749 -203122.9554 2167.9327 0.0000 0.0000 52288.1365 -109591.5990 300.5006 -161879.7355 -109218.9983 299.5761 -82.6320 -54.3080 758600.3453 2.8397 2.8794 PRESSURE: 2788200 -172.612 96.1858 115.926 96.1862 -21.606 -61.4856 115.926 -61.4849 84.3855 GPRESSURE: 2788200 -100.587 88.9864 122.526 36.5061 -28.0844 -71.6699 178.976 83.8834 95.7783 PRESSAVG: 2788200 -21.5342 -13.0453 -28.8198 -13.0454 12.9742 1.00703 -28.8197 1.00718 14.3311 GPRESSAVG: 2788200 -21.7882 -11.5752 -29.7969 -12.151 13.2034 1.22963 -27.3552 -0.964065 14.5877 TIMING: 2788200 CPU: 8879.14, 0.00311916/step Wall: 8879.14, 0.00311916/step, 1.91638 hours remaining, 240.160156 MB of memory in use. ENERGY: 2788200 3960.5583 20758.4068 14474.0933 252.0137 -203186.1822 2262.3606 0.0000 0.0000 51849.0153 -109629.7342 297.9770 -161478.7494 -109272.7450 299.2024 -36.6109 -10.9643 759777.1133 1.9237 2.0010 LDB: ============= START OF LOAD BALANCING ============== 8891.59 LDB: ============== END OF LOAD BALANCING =============== 8891.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8891.59 LDB: ============= START OF LOAD BALANCING ============== 8891.9 LDB: Largest compute 7031 load 0.033653 is 17.2% of average load 0.195419 LDB: Average compute 0.004379 is 2.2% of average load 0.195419 LDB: TIME 8891.9 LOAD: AVG 0.195419 MAX 0.212977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.145 MB LDB: TIME 8891.9 LOAD: AVG 0.195419 MAX 0.212977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 8891.9 LOAD: AVG 0.195419 MAX 0.212977 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 8891.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8891.91 PRESSURE: 2788400 2.05476 -116.256 164.403 -116.256 71.5591 -116.725 164.401 -116.726 -120.917 GPRESSURE: 2788400 13.8998 -146.912 93.1131 -154.194 151.436 -173.278 121.494 -67.5041 -124.807 PRESSAVG: 2788400 -7.17583 -11.7507 -24.7827 -11.7506 29.2002 -6.01569 -24.7828 -6.01567 24.18 GPRESSAVG: 2788400 -7.06958 -13.0433 -24.6266 -11.1778 29.2159 -5.82767 -26.2084 -5.08518 23.7613 TIMING: 2788400 CPU: 8879.77, 0.00318357/step Wall: 8879.77, 0.00318357/step, 1.95577 hours remaining, 240.347656 MB of memory in use. ENERGY: 2788400 3990.1457 20426.3384 14461.1479 228.1536 -203509.1874 2544.5133 0.0000 0.0000 52103.7461 -109755.1424 299.4409 -161858.8885 -109384.7720 298.9089 -15.7678 13.5095 760458.0998 15.4015 15.3025 PRESSURE: 2788600 171.877 -8.54159 -193.027 -8.54152 301.81 -69.8568 -193.026 -69.8575 35.4217 GPRESSURE: 2788600 250.316 69.3469 -192.816 -88.452 325.661 -71.4209 -198.494 -104.496 5.59665 PRESSAVG: 2788600 28.237 1.1982 25.5109 1.19816 -12.2661 -32.1281 25.5109 -32.128 -29.2143 GPRESSAVG: 2788600 27.1788 1.99878 26.314 0.794992 -11.9182 -32.1569 25.3463 -30.8267 -28.8192 TIMING: 2788600 CPU: 8880.4, 0.00313126/step Wall: 8880.4, 0.00313126/step, 1.92346 hours remaining, 240.550781 MB of memory in use. ENERGY: 2788600 3993.9435 20510.8173 14481.1907 222.8555 -203507.6672 2480.1918 0.0000 0.0000 51887.7282 -109930.9402 298.1995 -161818.6684 -109569.9923 298.5425 169.7029 193.8578 758472.5276 -4.4145 -4.5195 PRESSURE: 2788800 -31.8786 -2.43308 -109.812 -2.43291 -289.622 187.78 -109.812 187.779 -141.611 GPRESSURE: 2788800 45.9501 -84.0046 -101.562 -115.837 -300.882 209.359 -244.127 147.019 -110.706 PRESSAVG: 2788800 -39.5837 -28.1816 26.5665 -28.1815 35.9966 -32.8848 26.5665 -32.8849 8.23825 GPRESSAVG: 2788800 -38.0728 -29.9758 25.3258 -27.5477 35.2184 -30.9673 28.3805 -35.5928 7.51255 TIMING: 2788800 CPU: 8881.02, 0.00311308/step Wall: 8881.02, 0.00311308/step, 1.91212 hours remaining, 240.550781 MB of memory in use. ENERGY: 2788800 4034.4974 20568.0309 14444.1522 241.9148 -203458.2897 2513.3510 0.0000 0.0000 51866.5992 -109789.7441 298.0781 -161656.3433 -109433.2209 298.3406 -154.3704 -121.8793 760834.7595 1.5504 1.5527 PRESSURE: 2789000 -215.545 12.3111 57.2276 12.3111 -145.689 91.799 57.2283 91.7996 460.906 GPRESSURE: 2789000 -129.823 -21.5892 31.7609 -52.8395 -160.027 96.8191 -6.14712 43.4765 478.852 PRESSAVG: 2789000 -12.0823 2.99662 -24.3047 2.99668 18.067 -7.29661 -24.3048 -7.29668 -0.281655 GPRESSAVG: 2789000 -12.2948 6.57479 -24.2366 0.0791143 18.1696 -9.80662 -26.7449 -5.56426 0.236873 TIMING: 2789000 CPU: 8881.64, 0.00310282/step Wall: 8881.64, 0.00310282/step, 1.90565 hours remaining, 240.550781 MB of memory in use. ENERGY: 2789000 3928.0722 20530.3716 14525.0171 221.9839 -203528.3362 2587.4969 0.0000 0.0000 51849.8640 -109885.5305 297.9819 -161735.3945 -109524.7826 298.3479 33.2241 63.0007 760524.3053 1.9010 2.0372 PRESSURE: 2789200 -147.899 -60.0619 -60.6572 -60.0616 -85.2133 54.6229 -60.6575 54.6225 -60.5963 GPRESSURE: 2789200 -116.608 -118.449 -5.10382 -64.332 -30.3668 79.4517 13.2624 -109.791 -55.9534 PRESSAVG: 2789200 -38.3236 -17.1904 -54.0367 -17.1904 32.8166 -48.8873 -54.0367 -48.8873 -20.1678 GPRESSAVG: 2789200 -37.7097 -18.9335 -52.7013 -14.4635 32.2928 -48.883 -51.7876 -50.9951 -21.4992 TIMING: 2789200 CPU: 8882.26, 0.00309993/step Wall: 8882.26, 0.00309993/step, 1.9037 hours remaining, 240.550781 MB of memory in use. ENERGY: 2789200 3966.3217 20405.6546 14525.0033 240.7320 -203499.3438 2525.3127 0.0000 0.0000 52159.8780 -109676.4416 299.7635 -161836.3196 -109305.8736 298.6604 -97.9029 -67.6429 761527.9757 -8.5583 -8.9721 PRESSURE: 2789400 153.708 121.266 1.68167 121.266 -151.105 15.5564 1.68103 15.5551 -284.024 GPRESSURE: 2789400 97.1071 57.7261 -17.4781 162.202 -68.586 86.8643 -85.3472 19.306 -232.479 PRESSAVG: 2789400 7.22061 -14.6547 -37.6714 -14.6546 5.49403 -25.1634 -37.6714 -25.1634 -0.238889 GPRESSAVG: 2789400 5.4053 -14.7722 -37.3985 -14.8387 5.83143 -24.8599 -37.3692 -24.2724 1.00507 TIMING: 2789400 CPU: 8882.88, 0.0031008/step Wall: 8882.88, 0.0031008/step, 1.90407 hours remaining, 240.550781 MB of memory in use. ENERGY: 2789400 4071.8893 20412.8607 14493.2090 255.0102 -203769.2230 2557.6459 0.0000 0.0000 52279.5715 -109699.0364 300.4514 -161978.6079 -109336.5570 298.6837 -93.8069 -67.9860 759519.2252 4.1586 4.0806 PRESSURE: 2789600 -143.253 73.6474 13.8849 73.6473 76.751 -167.868 13.8846 -167.868 216.93 GPRESSURE: 2789600 -14.0893 176.828 29.5548 45.406 57.9063 -130.05 1.27318 -170.587 177.711 PRESSAVG: 2789600 22.7619 -0.81296 -22.9716 -0.812884 -41.2685 39.1051 -22.9716 39.1051 -6.64035 GPRESSAVG: 2789600 22.9584 -1.10136 -22.0359 -1.07015 -40.8911 39.0473 -24.4299 39.3064 -7.29641 TIMING: 2789600 CPU: 8883.5, 0.00310139/step Wall: 8883.5, 0.00310139/step, 1.90426 hours remaining, 240.550781 MB of memory in use. ENERGY: 2789600 4025.1985 20466.4722 14581.4628 228.6698 -203193.6096 2519.4092 0.0000 0.0000 51800.6061 -109571.7912 297.6988 -161372.3973 -109216.0184 298.8170 50.1429 73.8428 760750.5848 -8.3823 -8.4097 PRESSURE: 2789800 -116.661 65.7105 125.557 65.7107 322.065 -121.886 125.557 -121.887 115.658 GPRESSURE: 2789800 -66.8988 81.427 92.2444 23.8875 368.311 -126.508 127.688 -22.3535 108.282 PRESSAVG: 2789800 17.3833 -1.35679 -11.8681 -1.35682 15.5588 -15.9137 -11.8681 -15.9137 -5.31861 GPRESSAVG: 2789800 17.876 -3.15766 -13.8657 -1.48657 15.2685 -16.2102 -12.3636 -15.4965 -5.15526 TIMING: 2789800 CPU: 8884.13, 0.0031092/step Wall: 8884.13, 0.0031092/step, 1.90888 hours remaining, 240.550781 MB of memory in use. ENERGY: 2789800 3959.7367 20532.2687 14528.1728 261.2265 -203208.6497 2284.0891 0.0000 0.0000 52043.1581 -109599.9978 299.0927 -161643.1559 -109245.3546 299.0673 107.0206 136.5648 760064.2711 9.2078 9.3298 PRESSURE: 2790000 -334.3 -65.725 -210.218 -65.7259 -0.234499 12.1079 -210.219 12.1074 86.771 GPRESSURE: 2790000 -432.524 -18.3724 -208.59 -143.235 164.99 -10.5164 -235.097 45.1438 87.4816 PRESSAVG: 2790000 -24.9852 7.84282 18.5313 7.84282 10.9386 -22.7996 18.5313 -22.7996 18.9804 GPRESSAVG: 2790000 -26.3942 11.8972 21.0441 6.79407 11.0216 -23.1349 17.5933 -23.1212 20.5806 TIMING: 2790000 CPU: 8884.75, 0.00310045/step Wall: 8884.75, 0.00310045/step, 1.90333 hours remaining, 240.550781 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: 2790000 4018.4912 20551.8215 14523.3889 236.9012 -203350.7463 2631.6608 0.0000 0.0000 51919.7349 -109468.7479 298.3834 -161388.4828 -109103.1284 298.8706 -82.5879 -60.0174 762237.4648 1.6446 1.7360 PRESSURE: 2790200 56.5374 -52.1634 -187.921 -52.1635 176.979 45.2538 -187.922 45.2546 21.9004 GPRESSURE: 2790200 102.891 36.7976 -272.714 -42.1541 174.181 136.519 -76.3453 -92.3785 49.8332 PRESSAVG: 2790200 13.4148 -52.0446 -26.3031 -52.0446 25.5516 -8.25284 -26.3031 -8.25282 -11.6754 GPRESSAVG: 2790200 14.19 -53.0276 -28.6602 -50.493 25.5069 -8.44367 -24.5307 -5.39516 -13.2684 TIMING: 2790200 CPU: 8885.37, 0.00310048/step Wall: 8885.37, 0.00310048/step, 1.90318 hours remaining, 240.550781 MB of memory in use. ENERGY: 2790200 3952.1587 20609.3810 14570.0511 253.5474 -203361.2414 2586.6048 0.0000 0.0000 51936.1404 -109453.3580 298.4777 -161389.4984 -109105.5295 299.0529 85.1388 108.9684 760513.2774 9.0970 8.8095 PRESSURE: 2790400 -245.285 54.201 98.9487 54.201 187.501 -164.075 98.9479 -164.076 -195.998 GPRESSURE: 2790400 -225.286 23.0882 117.364 105.435 244.592 -228.961 164.373 -94.2046 -192.492 PRESSAVG: 2790400 -59.3077 -41.8872 -7.91359 -41.8872 22.9122 -25.5424 -7.91364 -25.5424 1.41608 GPRESSAVG: 2790400 -59.9585 -42.1158 -6.92215 -42.3587 22.7412 -24.3414 -7.87485 -25.2783 1.54011 TIMING: 2790400 CPU: 8885.99, 0.00311483/step Wall: 8885.99, 0.00311483/step, 1.91181 hours remaining, 240.550781 MB of memory in use. ENERGY: 2790400 4050.9011 20493.6630 14473.7910 231.6976 -203527.6680 2661.1417 0.0000 0.0000 51973.1692 -109643.3044 298.6905 -161616.4736 -109293.2139 298.7725 -84.5941 -57.7287 761763.9752 -11.6598 -11.8924 PRESSURE: 2790600 -193.254 -7.91786 -102.054 -7.91831 -132.818 -95.0279 -102.054 -95.0286 -178.378 GPRESSURE: 2790600 -178.242 71.1032 -82.3169 -56.4977 -79.3385 -22.2089 -195.132 -180.189 -160.073 PRESSAVG: 2790600 -29.154 -48.9465 -23.0542 -48.9466 37.0865 3.06558 -23.0542 3.06565 10.1949 GPRESSAVG: 2790600 -29.2027 -48.852 -22.4073 -49.6878 36.3856 1.92806 -24.0771 -0.243517 11.2917 TIMING: 2790600 CPU: 8886.61, 0.00311963/step Wall: 8886.61, 0.00311963/step, 1.91459 hours remaining, 240.550781 MB of memory in use. ENERGY: 2790600 3971.1529 20434.7725 14484.9156 250.6448 -203392.2337 2599.1166 0.0000 0.0000 51940.1525 -109711.4787 298.5008 -161651.6312 -109344.8144 298.4333 -168.1500 -139.2178 762374.5529 6.0425 6.1582 PRESSURE: 2790800 -201.286 63.2133 135.203 63.2135 59.3536 3.6768 135.204 3.67581 -193.746 GPRESSURE: 2790800 -115.457 -61.5207 128.887 62.8828 20.2092 -27.7791 87.6614 -18.8559 -149.606 PRESSAVG: 2790800 -84.3304 -43.8507 -15.5501 -43.8507 53.5353 4.14152 -15.55 4.14151 5.94458 GPRESSAVG: 2790800 -84.3174 -43.7904 -14.8262 -42.8921 54.1049 3.79794 -14.3839 6.15798 5.19261 TIMING: 2790800 CPU: 8887.23, 0.00310249/step Wall: 8887.23, 0.00310249/step, 1.9039 hours remaining, 240.550781 MB of memory in use. ENERGY: 2790800 4012.6177 20479.3995 14453.8568 243.3479 -203241.9178 2524.9084 0.0000 0.0000 51906.3465 -109621.4410 298.3065 -161527.7875 -109258.7502 298.8446 -111.8930 -81.6178 761433.4942 -8.2835 -8.3400 PRESSURE: 2791000 -386.021 -115.62 47.0729 -115.619 111.24 -211.13 47.0719 -211.13 -101.654 GPRESSURE: 2791000 -307.714 -61.2765 47.4694 -108.379 59.7063 -210.29 -1.31752 -365.956 -47.4858 PRESSAVG: 2791000 -33.3916 25.5237 -21.6768 25.5236 42.5762 -8.45399 -21.6768 -8.45402 6.07846 GPRESSAVG: 2791000 -33.6498 26.6279 -24.4103 25.002 42.7358 -8.59935 -23.2811 -9.7408 5.48284 TIMING: 2791000 CPU: 8887.85, 0.00310079/step Wall: 8887.85, 0.00310079/step, 1.90268 hours remaining, 240.550781 MB of memory in use. ENERGY: 2791000 3997.8765 20458.9204 14486.6986 238.2987 -203587.7601 2680.0522 0.0000 0.0000 52243.6842 -109482.2294 300.2452 -161725.9136 -109111.1653 298.9171 -125.4783 -98.4978 762586.6839 5.0877 4.8563 PRESSURE: 2791200 178.625 -21.6905 118.459 -21.6915 212.046 -32.2919 118.46 -32.291 -66.5496 GPRESSURE: 2791200 232.896 100.064 95.759 14.1783 173.228 -26.3508 80.3753 -17.2905 -6.88621 PRESSAVG: 2791200 24.7436 -17.1079 17.8612 -17.1079 6.18196 -33.6606 17.8612 -33.6606 -6.7235 GPRESSAVG: 2791200 25.4659 -17.7225 19.4941 -15.2092 5.37364 -32.3895 17.1062 -32.9122 -6.26543 TIMING: 2791200 CPU: 8888.48, 0.0031115/step Wall: 8888.48, 0.0031115/step, 1.90908 hours remaining, 240.550781 MB of memory in use. ENERGY: 2791200 4007.8555 20600.3740 14533.9232 243.4816 -203566.5066 2700.8306 0.0000 0.0000 51736.2939 -109743.7477 297.3292 -161480.0416 -109382.9190 299.0128 108.0406 133.0792 761506.4491 8.0673 8.1914 PRESSURE: 2791400 72.4394 -3.69012 53.1712 -3.69035 -176.826 -17.6916 53.1714 -17.6918 -314.705 GPRESSURE: 2791400 102.544 -47.4127 12.493 60.9431 -208.017 -52.9074 -55.1328 -103.32 -238.011 PRESSAVG: 2791400 -48.6361 -8.10244 21.8123 -8.10245 71.7166 -13.1583 21.8123 -13.1582 -3.92993 GPRESSAVG: 2791400 -48.3195 -8.78109 21.6067 -8.36626 71.7098 -14.3902 24.5443 -13.1025 -4.16368 TIMING: 2791400 CPU: 8889.1, 0.00311171/step Wall: 8889.1, 0.00311171/step, 1.90903 hours remaining, 240.550781 MB of memory in use. ENERGY: 2791400 4006.4099 20440.5931 14453.3345 236.3041 -203548.1956 2586.2164 0.0000 0.0000 51981.2964 -109844.0412 298.7372 -161825.3376 -109488.2054 298.1473 -139.6969 -114.4948 762758.2904 6.3835 6.4089 PRESSURE: 2791600 -40.6787 416.325 73.6323 416.325 -194.918 70.4741 73.6318 70.4737 -210.377 GPRESSURE: 2791600 -24.7941 370.095 158.348 304.573 -88.8608 91.9996 38.2941 36.5914 -231.441 PRESSAVG: 2791600 -20.9613 23.4417 5.00879 23.4417 -17.0362 -3.80199 5.00879 -3.80188 -19.0647 GPRESSAVG: 2791600 -21.0295 25.6464 4.98487 21.316 -16.5072 -2.0761 3.51213 -5.45008 -19.3137 TIMING: 2791600 CPU: 8889.72, 0.00310433/step Wall: 8889.72, 0.00310433/step, 1.90434 hours remaining, 240.550781 MB of memory in use. ENERGY: 2791600 3996.0000 20459.7553 14414.3377 270.5960 -203318.1052 2582.1733 0.0000 0.0000 51892.1201 -109703.1230 298.2247 -161595.2431 -109345.7446 298.1093 -148.6579 -115.0318 763637.5088 -19.0207 -18.9501 PRESSURE: 2791800 -234.741 124.799 -66.7514 124.799 -623.05 73.2154 -66.7507 73.2149 -630.71 GPRESSURE: 2791800 -205.097 160.306 -67.9905 48.4467 -572.508 14.9661 -33.8469 -49.3123 -602.404 PRESSAVG: 2791800 -13.2026 30.4125 10.9176 30.4124 22.962 -34.6518 10.9176 -34.6518 5.12278 GPRESSAVG: 2791800 -13.1181 26.555 11.9174 31.7319 21.6601 -35.9042 11.0228 -33.5549 6.84779 TIMING: 2791800 CPU: 8890.34, 0.00310604/step Wall: 8890.34, 0.00310604/step, 1.90521 hours remaining, 240.550781 MB of memory in use. ENERGY: 2791800 4024.2488 20447.8158 14432.9472 231.6602 -203422.7249 2361.9371 0.0000 0.0000 52216.2874 -109707.8283 300.0877 -161924.1157 -109345.0579 298.9952 -496.1670 -460.0030 762659.4491 4.9607 5.1299 PRESSURE: 2792000 237.571 -6.37285 -14.4811 -6.37283 115.283 39.9483 -14.4817 39.9487 -277.838 GPRESSURE: 2792000 160.334 -9.48056 -38.8829 22.1421 201.361 -6.14376 -116.203 22.112 -213.167 PRESSAVG: 2792000 -12.2619 26.3503 7.83998 26.3503 -18.0932 0.302668 7.83998 0.30264 -3.94345 GPRESSAVG: 2792000 -12.4035 29.0756 7.91062 24.0137 -17.1651 0.454068 8.16491 0.413684 -4.27576 TIMING: 2792000 CPU: 8890.96, 0.0031163/step Wall: 8890.96, 0.0031163/step, 1.91133 hours remaining, 240.550781 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: 2792000 4018.7317 20655.3298 14479.9434 232.7269 -203678.2744 2615.9993 0.0000 0.0000 52096.4737 -109579.0695 299.3992 -161675.5431 -109208.4480 299.1232 25.0055 49.5093 759455.0383 -11.4329 -11.2814 PRESSURE: 2792200 -153.172 -238.843 338.806 -238.844 84.7447 -46.0921 338.807 -46.0912 89.3632 GPRESSURE: 2792200 20.0047 -227.372 293.679 -89.4448 26.175 -97.0114 257.515 -35.0851 79.2293 PRESSAVG: 2792200 -11.8742 -22.3154 17.8551 -22.3155 21.4242 4.33428 17.8551 4.33431 13.0817 GPRESSAVG: 2792200 -12.0227 -23.286 17.0564 -21.9817 22.5801 4.72815 17.4079 3.54568 11.6854 TIMING: 2792200 CPU: 8891.58, 0.00309808/step Wall: 8891.58, 0.00309807/step, 1.89998 hours remaining, 240.550781 MB of memory in use. ENERGY: 2792200 3982.8114 20517.8847 14475.8584 251.4101 -203172.9751 2370.8683 0.0000 0.0000 52053.5486 -109520.5935 299.1525 -161574.1422 -109163.2249 299.4552 6.9786 41.8030 759619.1220 7.5439 7.4143 LDB: ============= START OF LOAD BALANCING ============== 8904.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8904.03 LDB: =============== DONE WITH MIGRATION ================ 8904.03 LDB: ============= START OF LOAD BALANCING ============== 8904.35 LDB: Largest compute 7072 load 0.032636 is 16.7% of average load 0.195402 LDB: Average compute 0.004362 is 2.2% of average load 0.195402 LDB: TIME 8904.35 LOAD: AVG 0.195402 MAX 0.216525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 8904.35 LOAD: AVG 0.195402 MAX 0.216525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 8904.35 LOAD: AVG 0.195402 MAX 0.216525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 8904.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8904.36 PRESSURE: 2792400 4.22677 -177.47 229.133 -177.471 196.156 237.03 229.132 237.031 -184.201 GPRESSURE: 2792400 40.9168 -109.217 166.038 -50.4077 215.565 226.295 270.69 214.63 -156.398 PRESSAVG: 2792400 -17.7544 -36.3447 23.7612 -36.3447 27.3131 67.7027 23.7612 67.7028 11.818 GPRESSAVG: 2792400 -17.2797 -36.6385 24.2572 -34.2862 25.9267 67.3079 22.8096 69.4099 11.8237 TIMING: 2792400 CPU: 8892.22, 0.00318163/step Wall: 8892.22, 0.00318163/step, 1.95104 hours remaining, 240.347656 MB of memory in use. ENERGY: 2792400 4049.6799 20508.8264 14478.5894 226.6548 -203127.2455 2370.2187 0.0000 0.0000 51934.4149 -109558.8614 298.4678 -161493.2763 -109197.8784 299.3978 5.3938 33.3615 760649.7941 7.1255 6.8236 PRESSURE: 2792600 -3.66391 -46.7375 -124.498 -46.7382 -125.829 209.304 -124.498 209.304 497.064 GPRESSURE: 2792600 100.797 44.3755 -125.855 37.692 -126.98 144.131 -35.6278 258.152 467.785 PRESSAVG: 2792600 34.8599 -35.5735 -8.8477 -35.5736 17.5149 13.2078 -8.84771 13.2079 -0.754645 GPRESSAVG: 2792600 35.1478 -35.7816 -10.6434 -36.0383 17.0349 14.0125 -6.9551 12.8415 -0.909897 TIMING: 2792600 CPU: 8892.85, 0.00312538/step Wall: 8892.85, 0.00312538/step, 1.91638 hours remaining, 240.347656 MB of memory in use. ENERGY: 2792600 4050.8615 20530.5394 14361.4430 250.9791 -203671.9843 2761.1809 0.0000 0.0000 52148.3156 -109568.6647 299.6971 -161716.9804 -109202.8179 298.8661 122.5237 147.2007 761382.7770 17.2067 17.0910 PRESSURE: 2792800 -174.629 281.395 -137.098 281.394 -144.633 -36.0525 -137.097 -36.0527 -107.394 GPRESSURE: 2792800 -203.057 254.596 -124.29 188.884 -72.0355 -52.7495 -104.432 8.87062 -82.0766 PRESSAVG: 2792800 -43.5435 44.4978 7.42129 44.4978 8.99255 1.80937 7.42132 1.80929 -7.61952 GPRESSAVG: 2792800 -44.2385 43.1401 8.98344 46.4766 9.17679 0.882912 6.06729 1.27044 -7.49139 TIMING: 2792800 CPU: 8893.47, 0.00310847/step Wall: 8893.47, 0.00310847/step, 1.90584 hours remaining, 240.347656 MB of memory in use. ENERGY: 2792800 4030.1553 20491.5078 14434.6401 247.9409 -203332.5175 2519.8328 0.0000 0.0000 51943.4546 -109664.9861 298.5197 -161608.4407 -109313.7443 299.1305 -142.2185 -119.0563 762583.9034 -14.0568 -14.1844 PRESSURE: 2793000 219.674 -25.1291 114.22 -25.1294 -186.037 -64.6092 114.219 -64.6098 -97.1858 GPRESSURE: 2793000 303.626 -14.4479 75.5502 -61.1359 -232.98 -6.38239 32.3948 -60.3888 -59.5201 PRESSAVG: 2793000 5.40802 70.4663 5.68558 70.4664 12.7236 -27.2564 5.68554 -27.2564 -17.8864 GPRESSAVG: 2793000 5.87333 73.3648 5.66464 67.436 12.2789 -25.9306 3.98498 -27.1737 -17.2116 TIMING: 2793000 CPU: 8894.09, 0.00311195/step Wall: 8894.09, 0.00311195/step, 1.9078 hours remaining, 240.347656 MB of memory in use. ENERGY: 2793000 3940.3283 20582.2514 14409.3708 243.6650 -203388.2975 2379.6559 0.0000 0.0000 52057.0360 -109775.9901 299.1725 -161833.0261 -109413.4290 298.4866 -21.1829 3.7087 762004.6582 0.0818 0.3135 PRESSURE: 2793200 -111.409 -0.562503 128.724 -0.562115 -196.357 137.272 128.723 137.27 -184.382 GPRESSURE: 2793200 -44.5081 142.452 136.214 131.881 -138.361 97.8771 137.306 106.11 -209.37 PRESSAVG: 2793200 -30.6281 2.96311 21.4277 2.96312 -24.882 -24.7629 21.4276 -24.7629 3.0978 GPRESSAVG: 2793200 -29.2042 0.954135 21.1057 5.21955 -25.6613 -25.5266 21.2391 -23.7856 2.67613 TIMING: 2793200 CPU: 8894.71, 0.00310966/step Wall: 8894.71, 0.00310966/step, 1.90622 hours remaining, 240.347656 MB of memory in use. ENERGY: 2793200 3915.0425 20397.1487 14433.6240 253.6746 -202957.9601 2391.5325 0.0000 0.0000 51947.0943 -109619.8435 298.5407 -161566.9378 -109254.0781 298.1871 -164.0491 -130.7466 762717.5985 -17.4708 -17.3965 PRESSURE: 2793400 -318.52 132.409 122.928 132.408 248.209 -82.6828 122.929 -82.6821 -292.901 GPRESSURE: 2793400 -241.942 219.63 244.031 143.014 192.258 -82.1462 -7.37955 -5.33944 -213.477 PRESSAVG: 2793400 -29.4739 -15.9478 29.566 -15.9479 77.7762 -8.40735 29.566 -8.40733 6.73307 GPRESSAVG: 2793400 -29.4089 -15.1005 30.2264 -17.8405 77.1629 -7.76138 30.7646 -8.11687 6.8724 TIMING: 2793400 CPU: 8895.33, 0.00310832/step Wall: 8895.33, 0.00310832/step, 1.90523 hours remaining, 240.347656 MB of memory in use. ENERGY: 2793400 4014.0125 20454.5954 14410.1887 239.5841 -203249.7333 2614.8997 0.0000 0.0000 51799.2348 -109717.2181 297.6909 -161516.4529 -109354.7835 298.6215 -121.0707 -87.7203 762928.4277 18.3451 18.2088 PRESSURE: 2793600 19.5167 98.4024 134.965 98.4027 -158.684 -129.561 134.965 -129.561 84.0071 GPRESSURE: 2793600 38.3206 101.366 163.572 111.257 -150.699 -106.817 91.4923 -203.14 135.509 PRESSAVG: 2793600 4.25155 24.8981 12.9605 24.8982 -24.2215 -6.09446 12.9604 -6.09453 4.85234 GPRESSAVG: 2793600 2.31436 24.4599 12.4041 26.0558 -22.0692 -10.1762 14.166 -6.73825 4.28233 TIMING: 2793600 CPU: 8895.95, 0.00309437/step Wall: 8895.95, 0.00309437/step, 1.89651 hours remaining, 240.347656 MB of memory in use. ENERGY: 2793600 3969.5985 20558.3789 14423.1200 233.1769 -203333.2769 2438.2203 0.0000 0.0000 51938.8907 -109771.8916 298.4935 -161710.7824 -109406.6626 298.4533 -18.3867 7.7101 763128.8681 -5.0392 -5.1575 PRESSURE: 2793800 -49.6307 129.674 124.904 129.675 99.9972 -138.758 124.905 -138.758 31.0432 GPRESSURE: 2793800 35.3274 92.7487 147.48 127.282 98.4954 -157.885 5.61226 -63.858 18.6257 PRESSAVG: 2793800 -15.6835 42.3587 30.6471 42.3587 -17.63 -37.2525 30.6471 -37.2525 4.34946 GPRESSAVG: 2793800 -13.9621 43.6671 30.9838 42.348 -18.8121 -34.8379 31.6996 -33.3795 3.38925 TIMING: 2793800 CPU: 8896.57, 0.00309916/step Wall: 8896.57, 0.00309916/step, 1.89927 hours remaining, 240.347656 MB of memory in use. ENERGY: 2793800 3927.8444 20469.9413 14469.3997 232.7675 -203526.2459 2693.2173 0.0000 0.0000 52166.0670 -109567.0087 299.7991 -161733.0756 -109194.6630 298.2871 27.1366 50.8162 762841.2714 -9.6547 -9.7950 PRESSURE: 2794000 -152.658 83.6295 -21.7506 83.6296 61.0699 13.1681 -21.7512 13.1682 -160.137 GPRESSURE: 2794000 -74.8311 142.54 15.6297 102.908 68.5703 -25.7129 34.9312 50.7655 -159.607 PRESSAVG: 2794000 46.7402 0.0380355 26.7279 0.0380183 -46.2669 -11.3403 26.7279 -11.3403 -37.4277 GPRESSAVG: 2794000 45.6716 -0.692512 27.313 -0.105224 -45.9606 -10.6339 25.8481 -15.4216 -36.3931 TIMING: 2794000 CPU: 8897.19, 0.00309978/step Wall: 8897.19, 0.00309978/step, 1.89948 hours remaining, 240.347656 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: 2794000 3993.9485 20510.4753 14483.8138 251.1761 -203007.7626 2435.1910 0.0000 0.0000 51837.1702 -109495.9878 297.9089 -161333.1580 -109134.2571 298.7782 -83.9084 -55.2892 761283.0130 -12.3181 -12.2274 PRESSURE: 2794200 -193.329 0.253163 -106.427 0.25357 -169.6 -8.06204 -106.428 -8.06207 -130.174 GPRESSURE: 2794200 -127.35 65.951 -19.158 -28.1611 -128.737 -29.25 -68.946 -33.8679 -144.345 PRESSAVG: 2794200 -21.7218 20.0788 -25.5532 20.0788 27.1808 -48.7825 -25.5532 -48.7825 10.968 GPRESSAVG: 2794200 -21.7784 18.1851 -26.4878 20.0387 26.4175 -49.3742 -27.4965 -47.5481 11.4994 TIMING: 2794200 CPU: 8897.81, 0.00311083/step Wall: 8897.81, 0.00311083/step, 1.90608 hours remaining, 240.347656 MB of memory in use. ENERGY: 2794200 4090.2761 20451.8261 14446.1461 239.5640 -202898.3520 2399.6695 0.0000 0.0000 51743.4631 -109527.4072 297.3704 -161270.8703 -109171.4819 298.8754 -164.3677 -133.4772 762855.5251 5.4757 5.3795 PRESSURE: 2794400 90.6046 -7.07708 -90.1129 -7.07708 -26.2594 -160.809 -90.1134 -160.81 263.668 GPRESSURE: 2794400 151.195 -58.157 -91.3766 -64.2596 -64.8879 -212.143 -92.7764 -198.967 314.817 PRESSAVG: 2794400 52.7064 40.8561 -3.93517 40.8561 -49.579 -19.3899 -3.93514 -19.3899 -0.05784 GPRESSAVG: 2794400 54.4388 43.0553 -3.37675 39.8197 -51.069 -18.9435 -2.37157 -22.2528 -0.205732 TIMING: 2794400 CPU: 8898.44, 0.00312356/step Wall: 8898.44, 0.00312357/step, 1.9137 hours remaining, 240.347656 MB of memory in use. ENERGY: 2794400 4000.7844 20365.3044 14355.1668 246.7855 -203180.2506 2524.8590 0.0000 0.0000 52293.6952 -109393.6553 300.5326 -161687.3505 -109038.6884 298.8749 109.3378 133.7080 761611.3061 1.0232 1.0547 PRESSURE: 2794600 -240.767 -230.365 93.0917 -230.365 -115.356 42.6604 93.0909 42.6605 242.018 GPRESSURE: 2794600 -244.127 -191.873 41.4793 -245.332 1.78247 -26.9652 92.2348 101.064 212.503 PRESSAVG: 2794600 -38.6255 27.0147 34.2001 27.0147 39.8254 -3.59927 34.2001 -3.59932 -10.813 GPRESSAVG: 2794600 -41.3358 25.7432 31.9262 27.0687 43.315 -1.54628 33.8662 -4.0562 -11.2752 TIMING: 2794600 CPU: 8899.06, 0.00310589/step Wall: 8899.06, 0.00310589/step, 1.9027 hours remaining, 240.347656 MB of memory in use. ENERGY: 2794600 3980.1884 20697.2671 14404.1723 246.6272 -203133.5680 2546.3361 0.0000 0.0000 52077.9787 -109180.9983 299.2929 -161258.9769 -108819.6936 300.1108 -38.0349 -9.9471 762266.3372 -3.2044 -3.0987 PRESSURE: 2794800 -200.124 88.391 129.501 88.3906 -377.879 -165.397 129.501 -165.397 -234.858 GPRESSURE: 2794800 -91.0162 94.8175 52.2848 71.0818 -394.922 -127.636 59.469 -241.674 -263.627 PRESSAVG: 2794800 -15.4485 -13.3451 24.018 -13.3451 12.2569 35.6969 24.0179 35.6969 3.07934 GPRESSAVG: 2794800 -14.9893 -12.4984 24.2603 -13.916 11.4518 33.3704 23.8946 37.1388 3.10444 TIMING: 2794800 CPU: 8899.68, 0.00311557/step Wall: 8899.68, 0.00311557/step, 1.90846 hours remaining, 240.347656 MB of memory in use. ENERGY: 2794800 4026.8828 20636.4308 14412.7106 248.9291 -203478.8273 2780.6157 0.0000 0.0000 52147.9660 -109225.2924 299.6951 -161373.2584 -108847.6487 299.8138 -270.9538 -249.8548 762298.6181 -0.0374 -0.1444 PRESSURE: 2795000 -35.7732 -97.578 13.7167 -97.5777 -168.858 44.5233 13.7164 44.5242 -114.02 GPRESSURE: 2795000 -76.0771 -186.419 -32.3567 -137.247 -108.487 54.1904 -20.5332 71.7422 -58.774 PRESSAVG: 2795000 -17.1369 40.1095 -31.7067 40.1095 45.6855 -40.586 -31.7066 -40.5859 7.07467 GPRESSAVG: 2795000 -15.9507 40.2849 -30.8668 41.7472 45.0616 -40.3391 -32.2399 -41.5577 6.94336 TIMING: 2795000 CPU: 8900.3, 0.0031027/step Wall: 8900.3, 0.0031027/step, 1.90041 hours remaining, 240.347656 MB of memory in use. ENERGY: 2795000 4046.0238 20713.7456 14417.8031 257.5990 -203203.7982 2313.2493 0.0000 0.0000 52315.4312 -109139.9462 300.6575 -161455.3774 -108776.5818 300.1243 -106.2173 -81.1128 762539.3460 11.8744 12.0181 PRESSURE: 2795200 -182.892 95.0428 6.85288 95.0421 -258.671 52.6651 6.85364 52.6649 -499.192 GPRESSURE: 2795200 -218.816 -35.8958 15.3364 77.102 -120.557 11.7275 122.273 51.4017 -529.515 PRESSAVG: 2795200 -16.5444 1.95634 -2.65013 1.95638 6.05255 -43.6215 -2.65003 -43.6215 19.7014 GPRESSAVG: 2795200 -17.2199 2.09415 -3.12277 3.82753 7.20562 -43.9772 -1.606 -41.8458 19.1457 TIMING: 2795200 CPU: 8900.93, 0.00312437/step Wall: 8900.93, 0.00312437/step, 1.9135 hours remaining, 240.347656 MB of memory in use. ENERGY: 2795200 3988.3008 20505.0507 14464.3850 244.4175 -203158.6498 2471.8602 0.0000 0.0000 52136.1868 -109348.4487 299.6274 -161484.6356 -108978.0980 299.9531 -313.5852 -289.6295 763652.4974 3.0698 3.0438 PRESSURE: 2795400 -20.6825 -102.022 -32.9896 -102.022 -236.902 -187.161 -32.9896 -187.161 89.3072 GPRESSURE: 2795400 71.2929 -71.659 -159.001 -146.758 -256.056 -107.906 -138.241 -173.126 92.4814 PRESSAVG: 2795400 -20.5324 -15.8718 -12.4971 -15.8718 22.1339 7.07788 -12.4972 7.07791 0.425289 GPRESSAVG: 2795400 -19.5907 -14.4164 -10.7516 -19.3599 20.5428 7.55792 -13.1476 5.29767 1.45346 TIMING: 2795400 CPU: 8901.55, 0.0031222/step Wall: 8901.55, 0.0031222/step, 1.912 hours remaining, 240.347656 MB of memory in use. ENERGY: 2795400 3964.2590 20512.4120 14427.0099 227.3622 -203075.1082 2551.6697 0.0000 0.0000 52268.8130 -109123.5825 300.3896 -161392.3955 -108759.0272 299.6986 -56.0924 -30.7604 764146.4937 0.6756 0.8019 PRESSURE: 2795600 23.4664 -128.08 46.2495 -128.081 -147.592 -143.012 46.2498 -143.012 -302.186 GPRESSURE: 2795600 -26.9674 -104.208 0.22995 -59.055 -117.812 -161.062 103.576 -94.1502 -203.925 PRESSAVG: 2795600 -5.75938 15.9661 -20.1912 15.9661 54.7297 36.6159 -20.1913 36.6159 -4.10097 GPRESSAVG: 2795600 -7.47367 12.7337 -20.0321 16.0155 56.678 36.4618 -20.3622 37.4696 -4.56689 TIMING: 2795600 CPU: 8902.18, 0.00311662/step Wall: 8902.18, 0.00311662/step, 1.90841 hours remaining, 240.347656 MB of memory in use. ENERGY: 2795600 4001.4806 20535.9748 14407.1002 242.8214 -202900.2641 2298.4776 0.0000 0.0000 52181.1194 -109233.2902 299.8856 -161414.4095 -108864.8649 299.5818 -142.1040 -116.2348 761174.5404 14.9564 14.8791 PRESSURE: 2795800 -196.416 3.4195 29.5852 3.41963 262.806 -253.066 29.5845 -253.066 69.6173 GPRESSURE: 2795800 -123.159 -19.6789 109.082 51.5721 332.992 -296.512 165.081 -151.087 30.1562 PRESSAVG: 2795800 -22.2071 -56.5131 24.5371 -56.5131 26.8529 8.07423 24.5371 8.07426 24.0488 GPRESSAVG: 2795800 -21.0292 -53.9534 23.869 -55.9299 25.9065 9.81704 26.6449 9.12312 23.8489 TIMING: 2795800 CPU: 8902.8, 0.00310751/step Wall: 8902.8, 0.00310751/step, 1.90266 hours remaining, 240.347656 MB of memory in use. ENERGY: 2795800 3981.8263 20663.8850 14498.8194 225.1360 -203327.1132 2503.1709 0.0000 0.0000 52098.9562 -109355.3193 299.4134 -161454.2756 -108991.4612 299.1674 45.3357 79.9966 762546.6397 9.5649 9.5754 PRESSURE: 2796000 -126.72 -164.799 301 -164.799 -51.4867 41.0534 301 41.0543 0.263 GPRESSURE: 2796000 -159.153 -31.9037 243.668 -188.688 -19.2776 55.182 182.796 -53.3176 88.2579 PRESSAVG: 2796000 -16.4358 -24.8561 20.3922 -24.8562 20.9406 -12.4489 20.3923 -12.4489 4.10305 GPRESSAVG: 2796000 -17.0902 -23.9606 19.1886 -27.2714 20.9642 -14.5047 18.2402 -12.8069 4.70943 TIMING: 2796000 CPU: 8903.42, 0.00309813/step Wall: 8903.42, 0.00309813/step, 1.89674 hours remaining, 240.347656 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: 2796000 3981.6607 20641.2554 14437.0378 248.5810 -203215.5704 2575.7599 0.0000 0.0000 51828.4586 -109502.8169 297.8589 -161331.2755 -109140.9876 298.9726 -59.3147 -30.0576 762924.2573 2.8693 2.8612 PRESSURE: 2796200 64.7524 -34.3355 -165.878 -34.3352 134.203 -139.699 -165.878 -139.699 -212.586 GPRESSURE: 2796200 135.179 27.4991 -34.8232 -52.3938 135.587 -231.239 -205.127 -67.1253 -198.35 PRESSAVG: 2796200 -16.647 -29.087 4.02091 -29.087 11.0238 -29.0523 4.02088 -29.0524 13.3339 GPRESSAVG: 2796200 -16.1663 -30.795 6.80559 -26.882 11.7154 -30.8098 5.59375 -28.9983 12.3231 TIMING: 2796200 CPU: 8904.04, 0.00309076/step Wall: 8904.04, 0.00309076/step, 1.89206 hours remaining, 240.347656 MB of memory in use. ENERGY: 2796200 4105.0755 20701.8989 14489.5810 258.7460 -203409.2810 2610.4956 0.0000 0.0000 51773.5652 -109469.9190 297.5434 -161243.4842 -109107.4198 299.2148 -4.5437 24.1386 762631.5480 2.5702 2.6241 LDB: ============= START OF LOAD BALANCING ============== 8916.48 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8916.48 LDB: =============== DONE WITH MIGRATION ================ 8916.48 LDB: ============= START OF LOAD BALANCING ============== 8916.8 LDB: Largest compute 7066 load 0.030865 is 15.8% of average load 0.195414 LDB: Average compute 0.004378 is 2.2% of average load 0.195414 LDB: TIME 8916.8 LOAD: AVG 0.195414 MAX 0.213182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.641 MB LDB: TIME 8916.8 LOAD: AVG 0.195414 MAX 0.213182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.711 MB LDB: TIME 8916.8 LOAD: AVG 0.195414 MAX 0.213182 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.711 MB LDB: ============== END OF LOAD BALANCING =============== 8916.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8916.81 PRESSURE: 2796400 -94.2142 -21.5401 -119.892 -21.5413 -24.6436 161.773 -119.892 161.773 -335.2 GPRESSURE: 2796400 6.53114 -100.948 -64.7501 52.8447 -63.719 184.983 -193.947 228.154 -315.184 PRESSAVG: 2796400 -27.9727 18.7964 2.32494 18.7964 18.8959 29.6064 2.32498 29.6063 8.02053 GPRESSAVG: 2796400 -26.8895 19.7798 -1.52065 20.136 18.5776 31.4797 1.65286 30.7214 8.06408 TIMING: 2796400 CPU: 8904.67, 0.00318723/step Wall: 8904.67, 0.00318723/step, 1.95094 hours remaining, 241.320312 MB of memory in use. ENERGY: 2796400 3952.9798 20436.6968 14411.0187 263.3460 -203373.3499 2699.3076 0.0000 0.0000 52098.8726 -109511.1283 299.4129 -161610.0009 -109144.8935 298.8832 -151.3527 -124.1241 761854.6445 -0.3521 -0.0826 PRESSURE: 2796600 -623.308 57.0501 325.836 57.0501 -191.144 -7.52222 325.835 -7.52305 126.927 GPRESSURE: 2796600 -589.5 112.682 292.668 95.518 -168.245 -27.092 391.704 45.6612 165.462 PRESSAVG: 2796600 -0.776085 9.08835 24.6445 9.08838 9.61175 -11.8258 24.6445 -11.8257 25.5558 GPRESSAVG: 2796600 -2.25182 8.3222 26.4774 8.28303 10.688 -13.3001 25.9839 -13.0753 26.3303 TIMING: 2796600 CPU: 8905.3, 0.00311233/step Wall: 8905.3, 0.00311233/step, 1.90492 hours remaining, 241.523438 MB of memory in use. ENERGY: 2796600 3922.8076 20565.8943 14387.9379 220.7269 -202971.6355 2264.2547 0.0000 0.0000 52272.7045 -109337.3095 300.4120 -161610.0140 -108974.7295 299.0447 -229.1753 -197.4278 761869.0725 11.4638 11.5888 PRESSURE: 2796800 176.342 169.5 -29.5484 169.499 34.1665 148.644 -29.549 148.645 1.44438 GPRESSURE: 2796800 77.4667 151.329 -20.301 120.414 177.561 194.593 -53.7494 249.741 56.5128 PRESSAVG: 2796800 -16.6241 -1.16651 -26.4036 -1.16645 -16.987 4.98337 -26.4035 4.98338 -4.34829 GPRESSAVG: 2796800 -15.6475 -2.37004 -25.4959 -1.55145 -18.0081 4.48434 -27.6793 5.15352 -4.54134 TIMING: 2796800 CPU: 8905.92, 0.00310052/step Wall: 8905.92, 0.00310052/step, 1.89752 hours remaining, 241.523438 MB of memory in use. ENERGY: 2796800 3942.9349 20344.4011 14495.6187 261.2808 -203134.9245 2570.8756 0.0000 0.0000 52355.6943 -109164.1190 300.8889 -161519.8134 -108800.1423 299.2138 70.6509 103.8468 761590.0272 -12.6531 -12.7323 PRESSURE: 2797000 -331.414 17.4813 -115.097 17.481 -6.42239 118.127 -115.096 118.127 -308.582 GPRESSURE: 2797000 -254.945 -111.659 -119.503 20.108 -10.4609 4.1529 -31.0308 61.9346 -292.488 PRESSAVG: 2797000 32.489 -64.7562 -46.4444 -64.7562 -45.3036 12.0882 -46.4443 12.0883 -15.2036 GPRESSAVG: 2797000 30.9894 -63.5944 -48.8668 -64.2396 -44.3305 10.9147 -44.8909 11.7074 -15.4305 TIMING: 2797000 CPU: 8906.54, 0.00311111/step Wall: 8906.54, 0.00311111/step, 1.90383 hours remaining, 241.523438 MB of memory in use. ENERGY: 2797000 4012.2214 20535.6078 14477.7902 257.8887 -202885.3766 2242.1366 0.0000 0.0000 52013.2647 -109346.4672 298.9209 -161359.7318 -108987.8933 299.1109 -215.4728 -185.9648 761492.4019 -9.3394 -9.5905 PRESSURE: 2797200 10.1167 29.7404 -88.3332 29.7407 -90.1473 90.2204 -88.333 90.2207 73.8952 GPRESSURE: 2797200 88.2146 72.6724 -169.951 77.6178 -143.159 116.797 -52.4778 104.806 149.64 PRESSAVG: 2797200 46.8591 -6.85844 -41.9258 -6.85843 -25.6383 22.3442 -41.9258 22.3443 -0.195183 GPRESSAVG: 2797200 47.915 -8.08143 -41.4871 -7.67752 -26.8248 24.1258 -40.9598 21.0107 -0.192884 TIMING: 2797200 CPU: 8907.16, 0.00312124/step Wall: 8907.16, 0.00312124/step, 1.90985 hours remaining, 241.523438 MB of memory in use. ENERGY: 2797200 3975.6248 20417.6457 14470.3296 251.7241 -202781.9676 2183.2298 0.0000 0.0000 52232.8132 -109250.6004 300.1827 -161483.4136 -108890.3708 299.5402 -2.0451 31.5650 762936.7217 7.0085 6.9658 PRESSURE: 2797400 148.68 57.3323 -74.8625 57.3326 -98.0103 41.2791 -74.8626 41.2784 25.2569 GPRESSURE: 2797400 186.108 93.989 22.479 249.614 -91.5475 51.2398 -68.6994 -92.9997 53.6957 PRESSAVG: 2797400 38.6089 14.9425 -13.9834 14.9425 -2.66131 18.8258 -13.9834 18.8258 -0.976263 GPRESSAVG: 2797400 38.1309 17.0899 -13.2497 14.6134 -2.67446 18.2258 -15.2035 20.5142 -1.15618 TIMING: 2797400 CPU: 8907.79, 0.00311768/step Wall: 8907.79, 0.00311768/step, 1.9075 hours remaining, 241.523438 MB of memory in use. ENERGY: 2797400 3848.3762 20537.2401 14465.9216 247.7986 -203379.5883 2516.2650 0.0000 0.0000 52138.1537 -109625.8330 299.6387 -161763.9868 -109253.3944 299.4521 25.3090 49.4188 760697.1377 11.6571 11.4334 PRESSURE: 2797600 134.544 -103.068 102.743 -103.068 -30.306 -74.7056 102.742 -74.7057 90.387 GPRESSURE: 2797600 123.995 -76.5009 122.759 -154.151 65.2465 -85.4871 17.8906 -63.3016 77.8717 PRESSAVG: 2797600 10.3237 9.41866 -4.8383 9.41869 -19.3144 8.66035 -4.83832 8.6604 15.735 GPRESSAVG: 2797600 10.7977 8.49853 -4.82055 10.8436 -19.3898 8.82327 -4.81076 7.56003 15.2059 TIMING: 2797600 CPU: 8908.4, 0.00309377/step Wall: 8908.4, 0.00309377/step, 1.8927 hours remaining, 241.523438 MB of memory in use. ENERGY: 2797600 3948.8057 20515.6450 14439.6885 236.1808 -203444.3981 2500.7296 0.0000 0.0000 52241.8109 -109561.5375 300.2344 -161803.3485 -109199.5878 299.5954 64.8750 89.0376 760536.3850 2.2481 2.2046 PRESSURE: 2797800 -479.885 -197.612 -62.9167 -197.612 -281.288 -60.6 -62.9155 -60.6011 251.36 GPRESSURE: 2797800 -452.229 -159.993 -115.652 -116.832 -227.34 -57.1903 -68.6379 -116.709 246.502 PRESSAVG: 2797800 28.592 -8.87665 -20.2307 -8.87666 -5.35373 14.9689 -20.2307 14.9688 7.96884 GPRESSAVG: 2797800 27.1098 -8.18555 -21.4796 -8.93034 -5.11702 15.6849 -19.904 16.1456 9.4262 TIMING: 2797800 CPU: 8909.03, 0.0031117/step Wall: 8909.03, 0.0031117/step, 1.9035 hours remaining, 241.523438 MB of memory in use. ENERGY: 2797800 4028.1528 20383.0303 14443.1987 257.0103 -203246.4295 2375.4396 0.0000 0.0000 52274.5936 -109485.0043 300.4228 -161759.5979 -109125.6147 299.3671 -169.9376 -144.3558 762748.0246 10.4024 10.4730 PRESSURE: 2798000 -134.696 -83.6562 -68.3598 -83.6559 -275.126 265.422 -68.3591 265.421 177.506 GPRESSURE: 2798000 -56.2799 -72.2991 -181.986 -221.478 -226.617 241.345 -32.8431 219.778 127.851 PRESSAVG: 2798000 25.5937 2.37419 -10.3839 2.3742 -13.9262 27.3872 -10.3839 27.3871 10.191 GPRESSAVG: 2798000 26.2611 1.37626 -9.5019 2.91346 -13.6922 28.1197 -11.103 25.0906 9.2382 TIMING: 2798000 CPU: 8909.65, 0.00311152/step Wall: 8909.65, 0.00311152/step, 1.90321 hours remaining, 241.523438 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: 2798000 3979.3103 20383.8323 14519.5288 240.4030 -202981.4996 2188.7236 0.0000 0.0000 52229.8698 -109439.8318 300.1658 -161669.7016 -109083.5797 299.6971 -77.4385 -51.6819 760275.4955 7.2862 7.2690 PRESSURE: 2798200 111.027 -10.1596 94.8924 -10.1594 17.5825 -222.617 94.8934 -222.617 380.271 GPRESSURE: 2798200 200.359 -13.7407 128.229 50.5287 31.3708 -193.869 98.9495 -114.226 357.903 PRESSAVG: 2798200 39.753 1.82143 -30.8956 1.82142 1.5154 37.4962 -30.8956 37.4962 4.42541 GPRESSAVG: 2798200 41.5369 2.20226 -30.81 2.7124 0.271085 34.4321 -31.7975 38.9681 4.03376 TIMING: 2798200 CPU: 8910.27, 0.00310846/step Wall: 8910.27, 0.00310846/step, 1.90117 hours remaining, 241.523438 MB of memory in use. ENERGY: 2798200 3944.4076 20261.9874 14377.0137 239.6348 -203188.0804 2364.4891 0.0000 0.0000 52166.6386 -109833.9093 299.8024 -162000.5479 -109471.2110 299.0355 169.6266 196.5442 759970.2155 15.2313 15.2806 PRESSURE: 2798400 188.574 -91.2132 -121.018 -91.2133 -36.0979 37.2295 -121.018 37.2303 7.22605 GPRESSURE: 2798400 129.328 -15.9651 -8.13871 -68.7107 64.323 36.7784 -81.4802 24.5473 52.6393 PRESSAVG: 2798400 53.4599 -25.5237 -61.4176 -25.5236 -40.4944 5.08988 -61.4176 5.08988 -15.3335 GPRESSAVG: 2798400 51.1976 -23.8561 -61.8176 -27.5906 -39.5132 8.3707 -60.32 6.79389 -14.3848 TIMING: 2798400 CPU: 8910.89, 0.0031075/step Wall: 8910.89, 0.0031075/step, 1.90041 hours remaining, 241.523438 MB of memory in use. ENERGY: 2798400 4059.5704 20405.1353 14469.9565 250.7060 -203577.3422 2603.1557 0.0000 0.0000 51926.7540 -109862.0644 298.4238 -161788.8184 -109504.8436 298.2354 53.2342 82.0969 760085.9312 -0.7893 -0.9001 PRESSURE: 2798600 -325.683 -229.152 73.1541 -229.153 -247.485 66.0946 73.1542 66.0952 176.054 GPRESSURE: 2798600 -116.595 -195.104 147.668 -205.509 -222.214 74.7568 67.862 233.694 32.7002 PRESSAVG: 2798600 16.8229 -2.00424 -52.6521 -2.00432 -30.7745 33.6625 -52.6521 33.6625 -1.12847 GPRESSAVG: 2798600 17.2592 -2.75816 -51.7442 -5.09397 -30.6045 33.3615 -52.3043 33.5834 -2.06333 TIMING: 2798600 CPU: 8911.51, 0.00308239/step Wall: 8911.51, 0.00308239/step, 1.88488 hours remaining, 241.523438 MB of memory in use. ENERGY: 2798600 3962.9259 20381.7315 14358.9612 249.7590 -203212.1127 2327.4708 0.0000 0.0000 52142.6828 -109788.5816 299.6647 -161931.2644 -109429.9673 298.4791 -132.3712 -102.0363 760861.2536 -5.0267 -5.1362 PRESSURE: 2798800 42.4658 -74.8271 -91.1492 -74.8262 -62.4874 41.8627 -91.1497 41.8627 426.431 GPRESSURE: 2798800 42.9789 23.7441 -67.5437 -85.5167 55.2317 33.5715 -153.492 21.6884 405.344 PRESSAVG: 2798800 12.2278 -12.2101 -20.6806 -12.2101 -24.2176 -62.3543 -20.6806 -62.3543 6.62853 GPRESSAVG: 2798800 13.3582 -12.6638 -22.1118 -7.52571 -25.7831 -62.5278 -20.2312 -62.3862 6.71421 TIMING: 2798800 CPU: 8912.13, 0.00309649/step Wall: 8912.13, 0.00309649/step, 1.89333 hours remaining, 241.523438 MB of memory in use. ENERGY: 2798800 3996.9350 20454.4693 14326.3688 236.5298 -203298.4632 2447.0952 0.0000 0.0000 51977.8493 -109859.2159 298.7174 -161837.0652 -109511.3715 298.8427 135.4698 167.8514 760847.1260 -1.7871 -1.9036 PRESSURE: 2799000 -117.131 -129.961 -0.849715 -129.961 -347.304 27.9111 -0.849977 27.911 26.2496 GPRESSURE: 2799000 -85.1162 -145.504 -51.2517 -363.38 -319.801 -41.9853 132.181 54.5765 71.9163 PRESSAVG: 2799000 18.405 -12.8307 14.5407 -12.8307 -63.6686 -54.0942 14.5408 -54.0942 6.30301 GPRESSAVG: 2799000 18.5748 -13.2043 15.6084 -16.3342 -62.905 -55.882 13.1746 -54.8097 5.32273 TIMING: 2799000 CPU: 8912.75, 0.00310641/step Wall: 8912.75, 0.00310641/step, 1.89922 hours remaining, 241.523438 MB of memory in use. ENERGY: 2799000 3973.7106 20440.4938 14438.5252 236.5427 -203326.4697 2688.9008 0.0000 0.0000 51626.4885 -109921.8082 296.6981 -161548.2967 -109572.8503 298.6618 -146.0619 -111.0003 762100.5174 -12.9869 -13.0025 PRESSURE: 2799200 -270.47 57.1677 -177.833 57.1671 -174.374 18.2555 -177.832 18.2557 -468.297 GPRESSURE: 2799200 -314.804 35.3063 -181.802 39.6288 -57.8998 -10.0065 -166.248 -53.2915 -438.466 PRESSAVG: 2799200 9.18491 -24.473 -50.7554 -24.473 -25.3878 64.7761 -50.7554 64.7762 3.34294 GPRESSAVG: 2799200 8.46766 -23.9023 -51.4885 -23.9681 -25.6798 68.8823 -49.9107 64.8504 4.04823 TIMING: 2799200 CPU: 8913.37, 0.00309451/step Wall: 8913.37, 0.00309451/step, 1.89178 hours remaining, 241.523438 MB of memory in use. ENERGY: 2799200 4022.5832 20527.6618 14466.6293 237.3173 -202922.2031 2103.9862 0.0000 0.0000 51865.4188 -109698.6063 298.0713 -161564.0251 -109332.0290 298.2566 -304.3801 -270.3900 761397.9786 -4.2866 -4.3880 PRESSURE: 2799400 151.442 13.3328 -141.466 13.3327 298.986 63.4076 -141.466 63.4076 51.9115 GPRESSURE: 2799400 219.591 -60.8265 -46.6613 74.0063 277.867 70.5538 -291.233 49.8344 78.5526 PRESSAVG: 2799400 27.6902 -0.909653 5.36556 -0.909683 21.8066 26.0852 5.36554 26.0852 -14.3471 GPRESSAVG: 2799400 26.5094 -2.64472 5.85008 2.86263 22.9393 23.4115 4.55311 25.9803 -14.6768 TIMING: 2799400 CPU: 8913.99, 0.00310377/step Wall: 8913.99, 0.00310377/step, 1.89726 hours remaining, 241.523438 MB of memory in use. ENERGY: 2799400 3956.3239 20676.6042 14461.2664 252.0096 -203636.5334 2543.8101 0.0000 0.0000 51901.1739 -109845.3454 298.2768 -161746.5194 -109500.2327 298.8156 167.4464 192.0035 761343.5235 11.7166 11.5906 PRESSURE: 2799600 -145.125 -86.2704 86.9881 -86.2707 -139.39 -187.541 86.9878 -187.54 318.009 GPRESSURE: 2799600 -70.1721 -60.775 71.096 -117.839 -81.0727 -83.7436 124.507 -131.396 270.568 PRESSAVG: 2799600 -30.8544 21.1029 -31.3615 21.1029 -26.7239 3.13668 -31.3615 3.13651 14.7173 GPRESSAVG: 2799600 -30.1757 21.1656 -31.9056 17.6806 -27.8495 4.79579 -32.3419 4.56008 15.0181 TIMING: 2799600 CPU: 8914.61, 0.00309756/step Wall: 8914.61, 0.00309756/step, 1.8933 hours remaining, 241.523438 MB of memory in use. ENERGY: 2799600 3947.9184 20378.2881 14432.5749 240.9681 -203110.3300 2477.5805 0.0000 0.0000 51925.0725 -109707.9274 298.4141 -161633.0000 -109332.2447 298.5741 11.1647 39.7742 760744.8962 -14.2870 -14.3357 PRESSURE: 2799800 -224.848 104.372 -32.3192 104.372 -92.7004 337.639 -32.3191 337.639 -197.682 GPRESSURE: 2799800 -182.888 47.3168 -35.1118 45.2228 -116.339 251.509 59.4896 282.862 -128.322 PRESSAVG: 2799800 19.8484 -19.8648 23.2639 -19.8648 -37.1798 31.8362 23.2639 31.8361 4.91633 GPRESSAVG: 2799800 19.6975 -17.0489 23.2462 -19.9979 -37.617 29.7267 24.2633 30.6936 5.40419 TIMING: 2799800 CPU: 8915.23, 0.00310918/step Wall: 8915.23, 0.00310918/step, 1.90023 hours remaining, 241.523438 MB of memory in use. ENERGY: 2799800 4055.4377 20410.7150 14471.1108 241.8219 -203010.5161 2248.5343 0.0000 0.0000 51944.8126 -109638.0838 298.5276 -161582.8964 -109281.9328 299.1005 -171.7434 -142.5164 759897.5469 -4.1384 -4.1718 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800000 466.431 -230.582 -66.2787 -230.582 -29.8795 98.6767 -66.2781 98.6764 355.058 GPRESSURE: 2800000 485.953 -51.9224 -108.71 -283.522 31.3716 15.3652 2.8339 -97.4645 376.383 PRESSAVG: 2800000 36.1376 28.2112 -79.3666 28.2112 18.3925 36.542 -79.3665 36.5419 18.7629 GPRESSAVG: 2800000 36.3684 27.6425 -80.5669 29.5503 19.3944 37.7934 -78.4629 34.3681 17.8128 TIMING: 2800000 CPU: 8915.87, 0.00322003/step Wall: 8915.87, 0.00322003/step, 1.9678 hours remaining, 241.648438 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: 2800000 3943.4696 20522.1783 14434.3121 220.1133 -203725.5417 2697.5573 0.0000 0.0000 52056.7032 -109851.2080 299.1706 -161907.9111 -109487.5638 298.7740 263.8701 297.9023 759156.5630 24.4310 24.5252 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 PRESSURE: 2800200 -59.2576 14.578 -245.861 14.5767 -274.568 -0.965501 -245.861 -0.965502 -199.38 GPRESSURE: 2800200 24.6945 45.2297 -151.824 11.8487 -205.239 65.5966 -237.266 45.7197 -270.437 PRESSAVG: 2800200 1.08179 29.3233 -88.9695 29.3233 11.3258 4.82661 -88.9695 4.82661 -13.5834 GPRESSAVG: 2800200 0.704383 28.1403 -86.9175 29.3152 10.5605 3.22699 -89.4599 8.62991 -12.7056 TIMING: 2800200 CPU: 8916.5, 0.00312812/step Wall: 8916.5, 0.00312812/step, 1.91146 hours remaining, 241.648438 MB of memory in use. ENERGY: 2800200 3930.7343 20515.0146 14353.3976 251.8106 -203810.8059 2577.8989 0.0000 0.0000 52159.3819 -110022.5681 299.7607 -162181.9500 -109655.0955 298.5387 -177.7352 -150.3272 760512.4228 -0.3919 -0.4802 LDB: ============= START OF LOAD BALANCING ============== 8928.95 LDB: ============== END OF LOAD BALANCING =============== 8928.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8928.95 LDB: ============= START OF LOAD BALANCING ============== 8929.26 LDB: Largest compute 7037 load 0.032926 is 16.9% of average load 0.195392 LDB: Average compute 0.004370 is 2.2% of average load 0.195392 LDB: TIME 8929.26 LOAD: AVG 0.195392 MAX 0.213884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 8929.26 LOAD: AVG 0.195392 MAX 0.213884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.367 MB LDB: TIME 8929.26 LOAD: AVG 0.195392 MAX 0.213884 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.367 MB LDB: ============== END OF LOAD BALANCING =============== 8929.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8929.27 PRESSURE: 2800400 -193.467 138.149 -127.427 138.149 -2.21438 -100.262 -127.427 -100.262 156.939 GPRESSURE: 2800400 -181.478 66.6359 -120.453 188.274 64.5565 -99.3256 -161.397 16.9553 179.358 PRESSAVG: 2800400 -58.1364 55.6137 -12.5886 55.6137 58.7064 8.72177 -12.5886 8.72166 11.472 GPRESSAVG: 2800400 -58.4868 55.1257 -13.0332 56.0092 59.9271 9.91644 -15.259 7.94702 10.7414 TIMING: 2800400 CPU: 8917.13, 0.00316254/step Wall: 8917.13, 0.00316254/step, 1.93231 hours remaining, 240.039062 MB of memory in use. ENERGY: 2800400 4055.6278 20596.5072 14424.7609 234.7625 -203840.5446 2644.3385 0.0000 0.0000 51912.1105 -109972.4371 298.3396 -161884.5476 -109617.9378 298.5726 -12.9141 20.8120 758574.0868 4.0140 4.0606 PRESSURE: 2800600 -82.6901 -30.4934 -58.092 -30.4936 -372.243 -79.5593 -58.0911 -79.5581 11.9207 GPRESSURE: 2800600 -39.5318 45.2803 23.4867 -150.095 -317.315 -77.3995 -66.6842 -55.7775 0.382441 PRESSAVG: 2800600 -50.2873 42.3593 35.358 42.3593 4.72832 19.3489 35.3581 19.3489 -13.6607 GPRESSAVG: 2800600 -49.9741 44.5204 35.7459 41.0923 4.15919 20.1107 36.4173 18.7044 -13.3368 TIMING: 2800600 CPU: 8917.75, 0.00310694/step Wall: 8917.75, 0.00310694/step, 1.89817 hours remaining, 240.039062 MB of memory in use. ENERGY: 2800600 4104.5237 20633.2694 14396.9550 247.2961 -203457.5719 2524.7216 0.0000 0.0000 51748.0306 -109802.7755 297.3966 -161550.8060 -109445.3113 298.1861 -147.6708 -118.8216 758853.7653 -19.7399 -19.7172 PRESSURE: 2800800 48.6422 359.857 62.8059 359.857 79.1771 -9.26651 62.8046 -9.2658 396.324 GPRESSURE: 2800800 227.453 226.536 3.40981 254.321 86.6142 14.7333 140.161 19.1357 301.995 PRESSAVG: 2800800 36.4591 16.6956 12.1929 16.6955 -18.2339 76.6252 12.193 76.6252 4.62738 GPRESSAVG: 2800800 36.7401 13.6687 12.0328 17.5227 -18.732 76.6318 15.4692 77.0178 4.88912 TIMING: 2800800 CPU: 8918.38, 0.00310927/step Wall: 8918.38, 0.00310927/step, 1.89942 hours remaining, 240.039062 MB of memory in use. ENERGY: 2800800 3912.9760 20511.3728 14432.2136 246.7652 -203477.1528 2566.3957 0.0000 0.0000 52164.7884 -109642.6411 299.7918 -161807.4295 -109278.9528 299.0251 174.7143 205.3542 759112.0228 7.6175 7.6324 PRESSURE: 2801000 -52.6582 -32.0852 52.2266 -32.0849 -6.34611 -107.637 52.2267 -107.635 -272.227 GPRESSURE: 2801000 -81.923 -22.1818 67.4367 48.1721 93.1121 -157.236 84.6346 0.741914 -242.233 PRESSAVG: 2801000 -26.4697 -3.81128 -27.7072 -3.81133 18.2413 -16.8388 -27.7072 -16.8389 11.3112 GPRESSAVG: 2801000 -27.2807 -0.400961 -27.713 -3.80399 19.0058 -16.3556 -30.2427 -16.0313 11.804 TIMING: 2801000 CPU: 8919, 0.00310307/step Wall: 8919, 0.00310307/step, 1.89546 hours remaining, 240.039062 MB of memory in use. ENERGY: 2801000 4082.3296 20439.4362 14399.2282 243.4417 -203087.2377 2582.9474 0.0000 0.0000 51696.1945 -109643.6601 297.0987 -161339.8546 -109276.3693 298.6664 -110.4106 -77.0146 761956.1292 1.0276 1.1764 PRESSURE: 2801200 289.816 350.82 36.6094 350.82 -181.205 137.711 36.6092 137.711 -65.0528 GPRESSURE: 2801200 301.984 301.276 41.6152 278.341 -199.044 67.27 98.201 148.589 15.8866 PRESSAVG: 2801200 -10.2676 35.6916 -44.6126 35.6916 14.8698 5.90385 -44.6125 5.90389 -12.8769 GPRESSAVG: 2801200 -9.78706 32.9991 -43.821 34.8723 14.6894 3.40208 -43.6462 6.23827 -13.107 TIMING: 2801200 CPU: 8919.61, 0.00309573/step Wall: 8919.61, 0.00309573/step, 1.8908 hours remaining, 240.039062 MB of memory in use. ENERGY: 2801200 3976.8786 20500.1732 14555.5286 236.6365 -203322.1244 2388.3188 0.0000 0.0000 51883.7601 -109780.8286 298.1767 -161664.5887 -109410.6230 298.9658 14.5197 39.6089 759484.6787 -2.7582 -2.7349 PRESSURE: 2801400 -52.9638 17.1524 159.249 17.1506 437.678 310.272 159.249 310.273 65.6305 GPRESSURE: 2801400 36.2768 -100.679 155.236 31.7622 393.652 264.983 175.075 282.845 119.46 PRESSAVG: 2801400 14.9896 -9.68514 39.4893 -9.68516 10.4083 -2.33675 39.4893 -2.33666 12.1457 GPRESSAVG: 2801400 15.7572 -9.46407 39.4231 -8.38124 9.43053 0.237816 39.1211 -3.606 12.3515 TIMING: 2801400 CPU: 8920.23, 0.00309572/step Wall: 8920.23, 0.00309572/step, 1.89063 hours remaining, 240.039062 MB of memory in use. ENERGY: 2801400 4008.9679 20407.8955 14481.8129 246.2622 -203346.1981 2339.8181 0.0000 0.0000 52020.3485 -109841.0931 298.9617 -161861.4416 -109482.1503 298.3389 150.1149 183.1293 758526.8701 12.5145 12.5131 PRESSURE: 2801600 99.8111 -248.425 320.158 -248.425 160.521 277.784 320.157 277.785 67.0819 GPRESSURE: 2801600 147.318 -257.798 253.824 -196.361 198.92 306.808 148.154 149.216 54.0452 PRESSAVG: 2801600 -21.7222 -24.6062 27.8042 -24.6063 60.3575 -13.7304 27.8042 -13.7304 -9.33864 GPRESSAVG: 2801600 -22.4237 -24.8913 27.8492 -25.822 61.5396 -13.3266 26.9503 -14.1006 -9.61851 TIMING: 2801600 CPU: 8920.86, 0.00311346/step Wall: 8920.86, 0.00311346/step, 1.90128 hours remaining, 240.039062 MB of memory in use. ENERGY: 2801600 3905.5455 20409.6298 14456.7680 250.7684 -203369.0546 2355.9361 0.0000 0.0000 51961.9007 -110028.5061 298.6258 -161990.4068 -109661.0873 298.0849 109.1379 133.4277 760416.6799 9.7655 9.8325 PRESSURE: 2801800 218.608 -415.141 168.616 -415.141 -168.37 -50.5849 168.615 -50.585 288.026 GPRESSURE: 2801800 286.395 -355.6 148.403 -308.557 -137.837 18.9375 129.44 -89.0516 282.32 PRESSAVG: 2801800 19.8437 -17.4583 -29.1326 -17.4583 -9.01456 14.2241 -29.1327 14.2241 -16.1993 GPRESSAVG: 2801800 19.0175 -18.3263 -31.6517 -16.2835 -8.56133 13.8493 -29.7375 12.2393 -15.7293 TIMING: 2801800 CPU: 8921.48, 0.00311589/step Wall: 8921.48, 0.00311589/step, 1.9026 hours remaining, 240.039062 MB of memory in use. ENERGY: 2801800 3921.7661 20456.2714 14415.6969 239.8102 -203454.6531 2465.4103 0.0000 0.0000 51937.2209 -110018.4774 298.4839 -161955.6983 -109657.1772 297.8057 112.7546 143.6261 760624.7331 -1.7900 -1.7577 PRESSURE: 2802000 -156.584 -71.6509 -129.414 -71.6503 -346.465 -234.758 -129.414 -234.759 65.1847 GPRESSURE: 2802000 -184.69 -91.6372 -100.976 -186.835 -206.501 -262.149 -97.8295 -134.271 40.1541 PRESSAVG: 2802000 25.0723 -40.7615 -3.43187 -40.7615 -10.4212 8.68753 -3.43185 8.68757 -3.95576 GPRESSAVG: 2802000 25.2871 -41.0008 -0.886729 -42.0487 -10.862 7.21032 -3.18778 11.8077 -3.94044 TIMING: 2802000 CPU: 8922.1, 0.00309863/step Wall: 8922.1, 0.00309863/step, 1.89189 hours remaining, 240.039062 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: 2802000 3950.7197 20326.5134 14478.7857 227.5781 -203523.6235 2545.7156 0.0000 0.0000 51940.3700 -110053.9410 298.5020 -161994.3110 -109681.5429 297.7396 -145.9550 -117.0125 760781.0818 3.5651 3.4949 PRESSURE: 2802200 -178.914 113.285 -341.4 113.285 13.4568 -8.23536 -341.399 -8.2353 688.775 GPRESSURE: 2802200 -69.6723 25.9443 -305.136 180.963 51.3649 -30.9505 -369.283 26.7203 624.798 PRESSAVG: 2802200 -19.3216 2.00353 10.1756 2.00359 -8.08819 38.6672 10.1756 38.6672 2.96123 GPRESSAVG: 2802200 -19.9922 3.28422 8.74049 2.15027 -7.25925 40.7518 12.0812 37.5193 2.95442 TIMING: 2802200 CPU: 8922.72, 0.00310641/step Wall: 8922.72, 0.00310641/step, 1.89646 hours remaining, 240.039062 MB of memory in use. ENERGY: 2802200 3840.5285 20503.4850 14460.2738 239.5615 -203495.8005 2581.5697 0.0000 0.0000 51810.6105 -110059.7714 297.7563 -161870.3820 -109701.2051 297.5337 174.4391 202.1637 760962.5444 -8.1495 -8.0990 PRESSURE: 2802400 -81.5196 -215.35 -125.688 -215.35 -50.1719 118.576 -125.689 118.575 85.5878 GPRESSURE: 2802400 -101.659 -279.737 -128.677 -185.206 6.93712 100.824 -76.8351 92.1122 105.436 PRESSAVG: 2802400 20.3654 -6.51472 -74.5525 -6.51469 -0.657055 45.7642 -74.5525 45.7642 22.1303 GPRESSAVG: 2802400 21.7621 -5.93317 -74.8707 -6.97581 -1.90044 46.4849 -73.4072 45.8902 21.645 TIMING: 2802400 CPU: 8923.34, 0.00310669/step Wall: 8923.34, 0.00310669/step, 1.89646 hours remaining, 240.039062 MB of memory in use. ENERGY: 2802400 3970.4809 20173.7066 14367.7231 254.2775 -203580.3127 2556.5409 0.0000 0.0000 51896.3852 -110361.1985 298.2492 -162257.5837 -109989.6351 297.4513 -15.3679 3.5714 759362.9286 13.9462 13.8356 PRESSURE: 2802600 -300.212 -25.8713 91.9111 -25.8706 -44.4766 -26.9444 91.9109 -26.9447 -298.897 GPRESSURE: 2802600 -257.674 14.8161 58.5599 -89.172 -84.0075 -59.447 8.81714 -6.46525 -214.939 PRESSAVG: 2802600 73.0754 -46.7844 -12.2595 -46.7844 -40.4461 -0.455569 -12.2594 -0.455551 0.593118 GPRESSAVG: 2802600 71.1189 -47.4489 -11.4067 -46.1861 -39.4218 -2.03106 -12.4541 0.175839 1.29635 TIMING: 2802600 CPU: 8923.96, 0.00309604/step Wall: 8923.96, 0.00309603/step, 1.88979 hours remaining, 240.039062 MB of memory in use. ENERGY: 2802600 3973.2695 20382.8642 14434.3375 237.8229 -203469.1348 2318.2623 0.0000 0.0000 51772.9933 -110349.5851 297.5401 -162122.5784 -109977.4516 297.2095 -214.5286 -185.5402 762609.1251 11.0741 10.9978 PRESSURE: 2802800 -28.9612 -227.256 231.035 -227.257 -38.3725 -174.371 231.035 -174.372 -91.881 GPRESSURE: 2802800 98.6104 -232.03 311.322 -109.133 -46.7433 -144.941 206.606 -248.647 -126.239 PRESSAVG: 2802800 11.0272 -44.166 -42.9148 -44.1659 -15.4035 7.69972 -42.9148 7.69977 0.204287 GPRESSAVG: 2802800 12.3733 -43.347 -42.6938 -43.3837 -15.9332 9.21405 -45.3904 7.5078 -0.440024 TIMING: 2802800 CPU: 8924.58, 0.00309891/step Wall: 8924.58, 0.00309891/step, 1.89137 hours remaining, 240.039062 MB of memory in use. ENERGY: 2802800 3965.5986 20134.1315 14448.6948 254.2304 -203341.8277 2514.8103 0.0000 0.0000 51930.4424 -110093.9197 298.4450 -162024.3621 -109731.7388 297.3247 -53.0716 -24.7907 761607.6686 -1.3907 -1.3333 PRESSURE: 2803000 -108.738 -333.476 -8.87883 -333.476 108.2 -225.089 -8.87874 -225.088 -193.04 GPRESSURE: 2803000 -17.1012 -207.054 -29.8027 -196.985 112.09 -239.411 75.3645 -107.801 -184.796 PRESSAVG: 2803000 15.0745 -26.248 -29.7023 -26.248 7.1132 9.4005 -29.7023 9.4004 1.7409 GPRESSAVG: 2803000 15.278 -25.6545 -29.2854 -28.4432 6.22266 7.74706 -30.1453 8.64428 2.74413 TIMING: 2803000 CPU: 8925.2, 0.0031107/step Wall: 8925.2, 0.0031107/step, 1.89839 hours remaining, 240.039062 MB of memory in use. ENERGY: 2803000 3908.7366 20474.9089 14479.2785 236.3120 -203890.8542 2800.8816 0.0000 0.0000 51749.0304 -110241.7062 297.4024 -161990.7365 -109877.3290 297.6464 -64.5263 -29.9358 759854.9987 7.9762 8.0816 PRESSURE: 2803200 -58.6435 -41.2039 -82.3512 -41.2041 -222.667 84.2895 -82.3512 84.2893 105.151 GPRESSURE: 2803200 -62.3912 -7.41259 -88.0502 -71.1157 -78.0266 167.627 -177.521 90.6971 72.2646 PRESSAVG: 2803200 1.63368 -4.14977 -13.1692 -4.14977 4.21403 17.8934 -13.1691 17.8934 18.4948 GPRESSAVG: 2803200 1.37226 -4.73272 -13.8075 -3.07241 3.70663 20.084 -10.7217 18.2264 18.7446 TIMING: 2803200 CPU: 8925.82, 0.00310292/step Wall: 8925.82, 0.00310292/step, 1.89347 hours remaining, 240.039062 MB of memory in use. ENERGY: 2803200 3957.4801 20457.3128 14468.4036 249.0647 -203850.8305 2693.1185 0.0000 0.0000 51983.3624 -110042.0885 298.7491 -162025.4509 -109675.6004 297.5592 -58.7198 -22.7177 760140.5093 8.1142 7.9412 PRESSURE: 2803400 -163.22 53.512 20.8775 53.5114 -251.716 4.4895 20.8783 4.48944 -158.537 GPRESSURE: 2803400 -218.487 -12.7087 17.7422 96.5167 -211.763 -4.76081 31.4393 -20.8989 -62.8686 PRESSAVG: 2803400 55.2063 -49.9448 -20.7579 -49.9448 -28.8453 -6.00033 -20.7579 -6.00038 3.90924 GPRESSAVG: 2803400 54.5331 -50.8226 -21.7852 -48.5458 -27.5556 -8.31887 -20.6343 -5.60732 3.50116 TIMING: 2803400 CPU: 8926.45, 0.00311121/step Wall: 8926.45, 0.00311121/step, 1.89836 hours remaining, 240.039062 MB of memory in use. ENERGY: 2803400 3976.4550 20578.7136 14546.5309 247.5928 -203165.3893 2301.5203 0.0000 0.0000 51643.4035 -109871.1731 296.7953 -161514.5766 -109526.5379 298.4534 -191.1575 -164.3729 761492.0378 10.0901 10.1595 PRESSURE: 2803600 -278.134 72.6116 -32.6318 72.6117 -140.525 -195.885 -32.6318 -195.885 153.338 GPRESSURE: 2803600 -133.559 39.2607 48.279 21.0909 -130.884 -200.192 -95.8269 -166.395 90.1441 PRESSAVG: 2803600 37.7823 29.4697 28.1163 29.4697 27.6376 41.8013 28.1163 41.8013 0.290809 GPRESSAVG: 2803600 38.4876 29.6741 28.1743 28.8968 26.3717 41.6789 25.9299 42.6476 0.44008 TIMING: 2803600 CPU: 8927.07, 0.00310113/step Wall: 8927.07, 0.00310113/step, 1.89203 hours remaining, 240.039062 MB of memory in use. ENERGY: 2803600 3956.9054 20555.1934 14473.1422 246.0443 -203788.1632 2657.3131 0.0000 0.0000 52111.5891 -109787.9757 299.4860 -161899.5648 -109419.5894 298.7478 -88.4400 -58.0999 760634.5676 21.9036 21.7664 PRESSURE: 2803800 256.301 -194.875 94.9724 -194.875 80.1487 171.599 94.9723 171.6 -28.6462 GPRESSURE: 2803800 274.723 -152.259 139.264 -164.931 196.463 113.105 -92.7596 72.4179 -61.4621 PRESSAVG: 2803800 22.4569 -42.0073 -6.57103 -42.0073 -3.93066 9.35277 -6.57103 9.35283 -8.79837 GPRESSAVG: 2803800 23.3356 -39.7846 -5.5148 -42.321 -3.96226 10.2507 -6.79856 6.28017 -9.16056 TIMING: 2803800 CPU: 8927.69, 0.00309952/step Wall: 8927.69, 0.00309952/step, 1.89088 hours remaining, 240.039062 MB of memory in use. ENERGY: 2803800 3954.5494 20343.1822 14485.6769 253.7344 -203028.8448 2518.0698 0.0000 0.0000 51837.1967 -109636.4355 297.9091 -161473.6322 -109268.0599 298.3966 102.6010 136.5743 761481.3587 3.2426 3.4043 PRESSURE: 2804000 -167.758 122.772 -146.265 122.772 -422.742 -34.7183 -146.264 -34.7181 -95.8614 GPRESSURE: 2804000 -153.638 54.5831 -103.907 20.2502 -396.203 49.0123 -138.286 -75.1567 -82.1951 PRESSAVG: 2804000 84.4409 51.9057 48.7282 51.9057 -47.2295 -19.2316 48.7282 -19.2316 15.3941 GPRESSAVG: 2804000 83.98 50.9271 47.1775 51.8607 -45.8631 -20.6461 48.3828 -15.2506 14.6908 TIMING: 2804000 CPU: 8928.31, 0.00310381/step Wall: 8928.31, 0.00310381/step, 1.89332 hours remaining, 240.039062 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: 2804000 3969.9645 20587.9101 14513.7601 241.8522 -202750.5388 2003.3644 0.0000 0.0000 51939.2634 -109494.4241 298.4957 -161433.6875 -109121.7738 298.5616 -228.7873 -210.6787 761958.8375 17.5352 17.6026 PRESSURE: 2804200 217.654 -29.6644 11.1249 -29.6633 -122.242 475.729 11.1253 475.73 373.973 GPRESSURE: 2804200 259.149 -98.326 96.9288 -137.606 -87.9284 421.287 -53.0589 435.527 386.643 PRESSAVG: 2804200 46.8943 -11.2378 -22.8434 -11.2379 -31.1336 7.82999 -22.8434 7.82999 -14.8021 GPRESSAVG: 2804200 46.4784 -12.4877 -22.756 -10.8303 -31.7548 9.43768 -20.7747 6.05221 -14.2567 TIMING: 2804200 CPU: 8928.93, 0.00312559/step Wall: 8928.93, 0.00312559/step, 1.90644 hours remaining, 240.039062 MB of memory in use. ENERGY: 2804200 3972.1366 20357.6999 14479.5105 243.4197 -203363.0132 2681.2682 0.0000 0.0000 52150.7929 -109478.1854 299.7113 -161628.9783 -109123.8886 299.2040 156.4616 185.9546 761834.4338 0.3195 0.1556 LDB: ============= START OF LOAD BALANCING ============== 8941.38 LDB: ============== END OF LOAD BALANCING =============== 8941.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8941.38 LDB: ============= START OF LOAD BALANCING ============== 8941.69 LDB: Largest compute 7070 load 0.032453 is 16.6% of average load 0.195377 LDB: Average compute 0.004357 is 2.2% of average load 0.195377 LDB: TIME 8941.7 LOAD: AVG 0.195377 MAX 0.213904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.066 MB LDB: TIME 8941.7 LOAD: AVG 0.195377 MAX 0.213904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: TIME 8941.7 LOAD: AVG 0.195377 MAX 0.213904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: ============== END OF LOAD BALANCING =============== 8941.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8941.7 PRESSURE: 2804400 167.293 5.94599 30.4124 5.94526 59.8708 -96.9531 30.4118 -96.9533 325.592 GPRESSURE: 2804400 139.02 27.3562 47.7433 72.1736 243.929 -104.568 62.5561 -172.137 274.631 PRESSAVG: 2804400 1.21917 -32.3059 -39.4513 -32.3059 -9.02903 26.3766 -39.4513 26.3765 9.88571 GPRESSAVG: 2804400 2.28181 -31.6416 -37.7157 -33.1205 -8.26837 25.6339 -39.4081 26.1815 9.15856 TIMING: 2804400 CPU: 8929.57, 0.00318041/step Wall: 8929.57, 0.00318041/step, 1.9397 hours remaining, 239.835938 MB of memory in use. ENERGY: 2804400 4048.7261 20486.8309 14443.8191 245.7506 -203481.6827 2724.2095 0.0000 0.0000 52037.7868 -109494.5597 299.0619 -161532.3465 -109133.5116 299.3200 184.2517 219.1935 760540.1699 0.6919 1.0573 PRESSURE: 2804600 -81.6248 -156.094 -11.6469 -156.093 -263.885 -301.824 -11.647 -301.824 -327.558 GPRESSURE: 2804600 -30.4283 -162.606 -36.471 -166.932 -287.797 -302.43 -73.2153 -205.253 -274.564 PRESSAVG: 2804600 18.357 -14.0598 -75.9808 -14.0598 -38.9073 -10.3409 -75.9809 -10.341 9.64324 GPRESSAVG: 2804600 17.381 -15.7708 -78.9977 -12.1856 -38.5124 -11.8709 -77.0047 -8.83067 10.5754 TIMING: 2804600 CPU: 8930.19, 0.00311453/step Wall: 8930.19, 0.00311453/step, 1.89934 hours remaining, 240.039062 MB of memory in use. ENERGY: 2804600 3986.5358 20541.1083 14500.1409 258.2671 -203362.4297 2645.5570 0.0000 0.0000 52029.0951 -109401.7257 299.0119 -161430.8208 -109037.2677 299.0527 -224.3557 -197.5962 762843.6757 -3.6357 -3.5187 PRESSURE: 2804800 -146.081 32.5714 -16.2495 32.5715 -244.226 -35.302 -16.2497 -35.3014 -75.2979 GPRESSURE: 2804800 -93.1804 30.1608 10.7815 -1.74151 -212.128 -84.76 10.2073 6.20621 -53.6762 PRESSAVG: 2804800 71.6502 -41.6126 -62.63 -41.6126 5.37531 -28.3543 -62.6299 -28.3543 -33.1941 GPRESSAVG: 2804800 72.2187 -37.9047 -61.394 -45.0676 3.33534 -25.8385 -63.2555 -28.921 -32.2321 TIMING: 2804800 CPU: 8930.81, 0.00311416/step Wall: 8930.81, 0.00311416/step, 1.89895 hours remaining, 240.039062 MB of memory in use. ENERGY: 2804800 4037.2860 20403.2323 14538.5377 253.7234 -202889.3852 2305.4590 0.0000 0.0000 52072.9666 -109278.1802 299.2641 -161351.1468 -108919.9360 299.3995 -155.2017 -119.6614 762230.6902 14.6105 14.4407 PRESSURE: 2805000 229.725 -203.11 65.6461 -203.111 180.492 118.456 65.6466 118.456 9.66012 GPRESSURE: 2805000 303.852 -130.914 87.3909 -172.625 236.594 86.9983 7.07731 115.796 -23.8206 PRESSAVG: 2805000 53.5541 18.7156 -60.0199 18.7156 -10.9329 49.1414 -60.0199 49.1414 16.1225 GPRESSAVG: 2805000 52.9331 17.157 -59.0904 19.9908 -9.06117 46.7026 -57.6568 49.0239 14.9912 TIMING: 2805000 CPU: 8931.44, 0.00310559/step Wall: 8931.44, 0.00310559/step, 1.89355 hours remaining, 240.039062 MB of memory in use. ENERGY: 2805000 4018.6925 20476.7748 14469.3569 256.6015 -203344.4469 2752.7831 0.0000 0.0000 51993.2288 -109377.0093 298.8058 -161370.2381 -109015.4445 299.5171 139.9590 172.2086 761294.3082 19.5812 19.6211 PRESSURE: 2805200 18.7205 61.5225 -241.399 61.5221 -95.2776 101.07 -241.399 101.07 -59.7627 GPRESSURE: 2805200 30.686 164.662 -222.038 -2.35833 -74.0663 221.166 -197.375 152.224 -5.44718 PRESSAVG: 2805200 52.5559 -23.9751 -23.2425 -23.9751 -37.3845 71.6507 -23.2426 71.6507 7.58942 GPRESSAVG: 2805200 52.3679 -24.4176 -23.9433 -23.2314 -37.0926 72.3623 -24.0459 70.0233 7.515 TIMING: 2805200 CPU: 8932.06, 0.00311017/step Wall: 8932.06, 0.00311017/step, 1.89617 hours remaining, 240.039062 MB of memory in use. ENERGY: 2805200 3961.5123 20507.8641 14422.5299 261.1428 -202984.2565 2480.1498 0.0000 0.0000 52069.2075 -109281.8500 299.2425 -161351.0576 -108916.4720 298.9278 -45.4399 -16.2758 762315.5659 7.5869 7.5968 PRESSURE: 2805400 -174.362 39.4067 201.504 39.407 -251.047 -45.6024 201.504 -45.6019 153.893 GPRESSURE: 2805400 -121.358 11.301 251.499 -63.5555 -231.937 -4.34996 187.807 -99.507 154.449 PRESSAVG: 2805400 28.256 -11.6371 -4.75878 -11.6371 -52.3465 -61.1345 -4.75881 -61.1344 18.6544 GPRESSAVG: 2805400 28.9837 -11.9058 -4.29101 -12.8588 -52.243 -61.1823 -4.48496 -59.8999 17.4578 TIMING: 2805400 CPU: 8932.68, 0.00310413/step Wall: 8932.68, 0.00310413/step, 1.89231 hours remaining, 240.039062 MB of memory in use. ENERGY: 2805400 4078.0451 20609.7854 14513.7198 246.3814 -203407.2956 2578.9147 0.0000 0.0000 52005.0062 -109375.4430 298.8735 -161380.4492 -109022.1928 299.0387 -90.5053 -66.2823 762632.8530 -1.8120 -1.9339 PRESSURE: 2805600 18.242 -48.4446 377.946 -48.4443 -271.766 89.0813 377.946 89.0815 -72.3737 GPRESSURE: 2805600 91.027 -87.3296 359.776 -86.4698 -301.969 141.693 360.708 18.5102 -32.445 PRESSAVG: 2805600 37.6801 -58.6533 4.93046 -58.6534 -13.8467 -20.3082 4.93042 -20.3082 12.2505 GPRESSAVG: 2805600 37.6101 -59.1099 4.56011 -59.4778 -15.4644 -19.9636 4.05006 -21.8938 13.5325 TIMING: 2805600 CPU: 8933.3, 0.0031141/step Wall: 8933.3, 0.0031141/step, 1.89822 hours remaining, 240.039062 MB of memory in use. ENERGY: 2805600 3977.2665 20533.5730 14460.8049 240.4579 -203246.0460 2431.8401 0.0000 0.0000 52165.2721 -109436.8314 299.7945 -161602.1035 -109057.8850 299.3468 -108.6326 -81.1289 761322.8193 12.0280 11.8927 PRESSURE: 2805800 -126.62 -115.471 70.2394 -115.471 -513.907 86.7379 70.2395 86.7386 -227.167 GPRESSURE: 2805800 -92.4179 -131.249 36.8666 14.5318 -468.114 109.558 3.24321 131.579 -200.084 PRESSAVG: 2805800 48.2508 -3.58744 35.2471 -3.58748 -45.9099 34.4626 35.247 34.4626 -22.3785 GPRESSAVG: 2805800 47.4925 -2.66178 35.5994 -1.97082 -45.2424 34.1167 33.8901 36.1492 -21.9909 TIMING: 2805800 CPU: 8933.93, 0.0031229/step Wall: 8933.93, 0.0031229/step, 1.90341 hours remaining, 240.039062 MB of memory in use. ENERGY: 2805800 4020.0235 20542.0505 14501.3528 266.4987 -202833.1045 1982.0375 0.0000 0.0000 52060.6338 -109460.5078 299.1932 -161521.1416 -109091.8208 299.4737 -289.2317 -253.5387 761123.9602 -6.6792 -6.5803 PRESSURE: 2806000 -94.4871 205.505 -181.632 205.505 154.487 -8.0925 -181.632 -8.09257 -184.659 GPRESSURE: 2806000 -56.7825 120.083 -154.934 243.833 117.531 -75.7038 -19.7966 117.442 -142.306 PRESSAVG: 2806000 72.7898 -61.8336 -34.0771 -61.8336 -46.7727 22.0399 -34.0773 22.04 -2.05903 GPRESSAVG: 2806000 73.0843 -61.9804 -34.1877 -59.41 -46.4605 22.2758 -32.1921 22.3227 -2.67878 TIMING: 2806000 CPU: 8934.55, 0.00312115/step Wall: 8934.55, 0.00312115/step, 1.90217 hours remaining, 240.039062 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: 2806000 4064.8390 20596.3256 14425.4048 258.5099 -203979.6787 2603.1515 0.0000 0.0000 52447.8451 -109583.6028 301.4185 -162031.4480 -109218.7404 298.9535 -41.5530 -27.1856 760614.3907 7.9860 7.9817 PRESSURE: 2806200 -92.0197 -103.732 -35.061 -103.732 152.541 -311.114 -35.0615 -311.116 -141.228 GPRESSURE: 2806200 -44.9028 -56.3663 -60.0352 -147.073 194.479 -218.189 -64.1551 -353.384 -175.777 PRESSAVG: 2806200 -2.93929 -51.6647 -19.6773 -51.6647 -35.7314 -27.4321 -19.6773 -27.4321 -10.7762 GPRESSAVG: 2806200 -2.167 -50.5653 -19.7627 -54.065 -36.8686 -28.2378 -19.143 -28.9103 -11.0799 TIMING: 2806200 CPU: 8935.17, 0.00311502/step Wall: 8935.17, 0.00311502/step, 1.89826 hours remaining, 240.039062 MB of memory in use. ENERGY: 2806200 3954.7899 20330.2072 14442.9635 235.8837 -203314.7846 2526.9659 0.0000 0.0000 52077.5537 -109746.4208 299.2904 -161823.9745 -109382.8792 298.4996 -26.9025 -8.7335 760719.1656 -16.4823 -16.7052 PRESSURE: 2806400 125.533 -181.02 -156.077 -181.021 48.6714 22.3818 -156.077 22.3816 3.69526 GPRESSURE: 2806400 170.509 -120.975 -171.083 -239.084 103.693 -88.1263 -121.649 44.055 -22.1388 PRESSAVG: 2806400 62.5404 49.3465 -16.0682 49.3466 -25.5487 -28.8664 -16.0682 -28.8662 0.762196 GPRESSAVG: 2806400 62.7357 46.9553 -15.0854 49.4659 -24.5353 -29.0807 -17.5986 -27.3259 -0.431532 TIMING: 2806400 CPU: 8935.8, 0.0031291/step Wall: 8935.8, 0.0031291/step, 1.90667 hours remaining, 240.039062 MB of memory in use. ENERGY: 2806400 3961.7708 20549.5300 14539.4767 251.8501 -203086.0910 2298.7103 0.0000 0.0000 51879.9655 -109604.7877 298.1549 -161484.7532 -109250.0383 298.6845 59.2999 84.0212 760128.8642 12.5846 12.5896 PRESSURE: 2806600 277.657 99.1176 149.492 99.1168 -200.483 -199.291 149.492 -199.291 -11.4123 GPRESSURE: 2806600 259.281 -0.226011 182.285 145.338 -150.202 -176.547 163.499 -56.6824 42.1389 PRESSAVG: 2806600 43.4968 8.39167 -25.8475 8.39177 -76.7947 -7.92009 -25.8475 -7.92014 8.59451 GPRESSAVG: 2806600 44.9402 7.62631 -27.1221 8.64663 -79.0146 -7.19203 -25.9776 -9.59013 9.63234 TIMING: 2806600 CPU: 8936.42, 0.00313097/step Wall: 8936.42, 0.00313097/step, 1.90763 hours remaining, 240.039062 MB of memory in use. ENERGY: 2806600 3913.6267 20463.5317 14530.7663 261.5769 -203416.7996 2658.2339 0.0000 0.0000 52067.6689 -109521.3953 299.2336 -161589.0642 -109152.7489 298.2941 21.9205 50.4060 760018.2767 -8.2345 -8.1473 PRESSURE: 2806800 44.6621 -140.437 -17.7114 -140.437 81.4082 144.123 -17.7109 144.123 153.071 GPRESSURE: 2806800 119.216 0.689414 13.5709 -43.9754 80.848 58.8366 -24.8608 97.1463 187.107 PRESSAVG: 2806800 -3.90683 23.1252 -48.7461 23.1253 20.1286 -47.4045 -48.7461 -47.4046 22.5464 GPRESSAVG: 2806800 -6.2926 24.8067 -49.3695 23.9271 22.1978 -48.1777 -48.5026 -44.5871 23.5701 TIMING: 2806800 CPU: 8937.05, 0.00313478/step Wall: 8937.05, 0.00313478/step, 1.90978 hours remaining, 240.039062 MB of memory in use. ENERGY: 2806800 3973.7135 20583.2402 14501.4534 244.8172 -203324.7258 2601.8230 0.0000 0.0000 51825.8272 -109593.8512 297.8437 -161419.6784 -109235.5807 298.3927 93.0470 129.0568 760157.8953 12.9227 13.1584 PRESSURE: 2807000 179.939 -37.7341 77.6346 -37.7343 27.9436 -186.347 77.6341 -186.345 118.807 GPRESSURE: 2807000 265.288 -66.5492 100.148 18.097 29.911 -115.678 82.8833 -218.379 133.045 PRESSAVG: 2807000 1.48214 4.66372 -34.3458 4.66377 -2.93443 -23.6661 -34.3458 -23.6661 -10.2339 GPRESSAVG: 2807000 2.29769 5.3298 -32.5951 3.98186 -3.1693 -22.5249 -31.6421 -25.1783 -11.248 TIMING: 2807000 CPU: 8937.68, 0.00313137/step Wall: 8937.68, 0.00313138/step, 1.90753 hours remaining, 240.039062 MB of memory in use. ENERGY: 2807000 3971.5007 20434.2847 14473.9507 254.2997 -203350.4628 2638.5531 0.0000 0.0000 52062.8216 -109515.0524 299.2058 -161577.8740 -109162.4959 298.8076 108.8968 142.7479 761519.3120 -3.8954 -4.0399 PRESSURE: 2807200 -32.1549 -135.156 74.4326 -135.158 -90.3738 -134.287 74.4322 -134.288 -17.9499 GPRESSURE: 2807200 19.1819 -51.3414 13.2989 -112.354 -70.0957 -40.1681 160.868 -205.957 -10.7365 PRESSAVG: 2807200 -69.9406 -27.9857 -19.428 -27.9856 18.6796 -24.0634 -19.4281 -24.0633 -19.8991 GPRESSAVG: 2807200 -70.4217 -29.3843 -20.414 -27.7817 18.6074 -23.3557 -21.6282 -24.4549 -19.1414 TIMING: 2807200 CPU: 8938.3, 0.00311344/step Wall: 8938.3, 0.00311344/step, 1.89643 hours remaining, 240.039062 MB of memory in use. ENERGY: 2807200 4030.7137 20506.3827 14467.9011 234.2925 -203022.5840 2396.2059 0.0000 0.0000 51872.8538 -109514.2343 298.1140 -161387.0881 -109145.2663 298.6681 -46.8262 -20.5501 762487.4266 -23.7200 -23.6519 PRESSURE: 2807400 -357.938 -126.555 117.522 -126.556 -356.653 -28.9728 117.521 -28.973 -2.52565 GPRESSURE: 2807400 -281.692 3.09132 130.667 -240.552 -291.39 -103.612 119.411 0.0908226 -60.4214 PRESSAVG: 2807400 -43.4818 -14.0556 -34.7966 -14.0555 24.1844 -2.16439 -34.7966 -2.16438 11.6783 GPRESSAVG: 2807400 -41.7837 -12.5379 -34.7767 -14.1469 23.976 -2.68003 -35.0309 -2.87827 10.3755 TIMING: 2807400 CPU: 8938.93, 0.00312514/step Wall: 8938.93, 0.00312514/step, 1.90339 hours remaining, 240.039062 MB of memory in use. ENERGY: 2807400 3960.3097 20585.2156 14466.2561 247.2772 -202933.7026 2128.0503 0.0000 0.0000 52026.0841 -109520.5095 298.9946 -161546.5936 -109154.4601 298.4641 -239.0389 -211.1680 762329.4312 -2.5397 -2.4774 PRESSURE: 2807600 -438.761 78.4949 -108.418 78.4945 -8.74821 91.1708 -108.418 91.1693 -279.31 GPRESSURE: 2807600 -344.109 64.0036 -53.6848 62.3568 6.29528 57.1379 -19.7106 10.4835 -315.863 PRESSAVG: 2807600 -15.6162 -29.0093 0.829965 -29.0093 -3.04069 68.7192 0.829979 68.7192 6.47906 GPRESSAVG: 2807600 -15.689 -30.3604 0.992338 -27.1907 -3.04261 69.5054 1.88932 68.5211 6.36278 TIMING: 2807600 CPU: 8939.55, 0.00312627/step Wall: 8939.55, 0.00312627/step, 1.9039 hours remaining, 240.039062 MB of memory in use. ENERGY: 2807600 4008.0063 20433.1968 14457.9919 229.6376 -203043.3658 2395.2818 0.0000 0.0000 52061.2202 -109458.0312 299.1965 -161519.2514 -109101.2415 299.4062 -242.2730 -217.8923 762026.5624 -4.0593 -4.1229 PRESSURE: 2807800 -357.907 -88.4664 50.9783 -88.4671 -535.004 12.5608 50.9785 12.5609 -361.771 GPRESSURE: 2807800 -286.258 -66.0722 92.1963 -73.8585 -403.066 69.193 -107.608 24.9832 -481.483 PRESSAVG: 2807800 8.5341 -8.13738 -4.8058 -8.13738 1.78165 13.7102 -4.80579 13.7102 -5.92588 GPRESSAVG: 2807800 6.63645 -8.40426 -4.91207 -8.41148 3.08912 12.1941 -6.01256 13.9766 -4.86011 TIMING: 2807800 CPU: 8940.18, 0.00312402/step Wall: 8940.18, 0.00312402/step, 1.90236 hours remaining, 240.039062 MB of memory in use. ENERGY: 2807800 4103.4180 20588.9389 14482.8455 227.6385 -202860.4639 2062.3596 0.0000 0.0000 52072.9470 -109322.3163 299.2639 -161395.2634 -108965.9060 299.6718 -418.2274 -390.2691 762761.2904 1.4633 1.6218 PRESSURE: 2808000 -164.088 7.99382 74.9865 7.99374 -276.213 72.8065 74.9864 72.8072 181.548 GPRESSURE: 2808000 -88.8332 68.9188 134.855 30.7293 -282.095 32.7752 100.376 69.2683 189.641 PRESSAVG: 2808000 -11.0798 9.63979 -40.5923 9.63976 18.1267 22.5504 -40.5922 22.5504 3.06281 GPRESSAVG: 2808000 -10.4395 11.6958 -41.6442 8.7312 17.0737 22.9983 -39.4207 21.0196 3.90365 TIMING: 2808000 CPU: 8940.8, 0.00313046/step Wall: 8940.8, 0.00313046/step, 1.9061 hours remaining, 240.039062 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: 2808000 4004.1127 20533.0865 14436.8471 258.5132 -203182.5892 2587.2100 0.0000 0.0000 52088.3241 -109274.4955 299.3523 -161362.8196 -108915.0374 299.7548 -86.2513 -60.4289 763157.9185 3.3699 3.5126 PRESSURE: 2808200 -243.738 -50.2905 -83.1195 -50.2907 -156.019 -166.283 -83.1199 -166.283 277.092 GPRESSURE: 2808200 -118.715 29.9234 -33.6611 11.211 -156.174 -134.484 -104.542 -157.213 234.832 PRESSAVG: 2808200 3.7637 -8.83962 4.80371 -8.83963 36.631 7.55154 4.80374 7.55154 -4.94344 GPRESSAVG: 2808200 2.50371 -10.356 6.04714 -8.84166 38.4881 7.88875 5.55787 7.84364 -5.58077 TIMING: 2808200 CPU: 8941.43, 0.00311941/step Wall: 8941.43, 0.00311941/step, 1.8992 hours remaining, 240.039062 MB of memory in use. ENERGY: 2808200 4005.6543 20501.0192 14485.4859 224.5701 -203429.1554 2683.3193 0.0000 0.0000 52345.9759 -109183.1306 300.8330 -161529.1066 -108820.8501 299.9439 -40.8884 -13.3522 761334.8129 11.8171 11.8037 LDB: ============= START OF LOAD BALANCING ============== 8953.87 LDB: ============== END OF LOAD BALANCING =============== 8953.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8953.88 LDB: ============= START OF LOAD BALANCING ============== 8954.19 LDB: Largest compute 7056 load 0.033260 is 17.0% of average load 0.195468 LDB: Average compute 0.004380 is 2.2% of average load 0.195468 LDB: TIME 8954.19 LOAD: AVG 0.195468 MAX 0.215909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 8954.19 LOAD: AVG 0.195468 MAX 0.215909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 8954.19 LOAD: AVG 0.195468 MAX 0.215909 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 8954.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8954.2 PRESSURE: 2808400 -380.525 -42.2644 -13.956 -42.2655 149.312 161.959 -13.9563 161.959 176.481 GPRESSURE: 2808400 -310.043 -112.18 68.6884 29.261 215.886 71.2509 -56.3756 105.482 115.027 PRESSAVG: 2808400 8.3401 -19.3472 13.4865 -19.3472 -12.5184 -62.1211 13.4866 -62.1212 37.2097 GPRESSAVG: 2808400 8.82375 -16.3173 13.6815 -17.8427 -13.9043 -63.0272 10.9287 -59.8685 38.2567 TIMING: 2808400 CPU: 8942.06, 0.00318639/step Wall: 8942.06, 0.00318639/step, 1.9398 hours remaining, 239.835938 MB of memory in use. ENERGY: 2808400 4083.3416 20436.6792 14500.1944 234.5730 -203397.0445 2428.7816 0.0000 0.0000 52481.4951 -109231.9796 301.6119 -161713.4748 -108867.2930 299.7993 -18.2438 6.9567 761165.7151 11.0105 11.0587 PRESSURE: 2808600 15.0713 77.9296 -93.75 77.9301 78.7907 -35.7594 -93.7504 -35.7585 -246.268 GPRESSURE: 2808600 74.2512 -59.9459 -92.7386 -12.9681 81.2506 2.36122 -177.858 26.0128 -206.085 PRESSAVG: 2808600 -1.04057 28.1531 -15.8793 28.1532 -21.6609 28.2463 -15.8793 28.2463 -22.8228 GPRESSAVG: 2808600 -1.52652 25.9504 -16.4069 26.2857 -21.6406 29.4344 -14.0338 28.8827 -22.9556 TIMING: 2808600 CPU: 8942.69, 0.00313018/step Wall: 8942.69, 0.00313018/step, 1.90541 hours remaining, 239.835938 MB of memory in use. ENERGY: 2808600 3981.2365 20561.1806 14407.0708 235.8177 -203117.8706 2488.3012 0.0000 0.0000 52123.5150 -109320.7489 299.5546 -161444.2639 -108947.3868 299.6666 -50.8018 -16.8611 760865.9611 -15.1748 -15.3742 PRESSURE: 2808800 -86.2611 -152.092 -162.752 -152.093 203.011 -29.4516 -162.753 -29.4528 -9.28653 GPRESSURE: 2808800 -118.321 -226.596 -100.452 -74.6209 266.028 -35.6284 -78.0593 28.8012 58.9532 PRESSAVG: 2808800 3.80693 -34.8009 37.2246 -34.8009 -21.7447 56.4407 37.2246 56.4407 7.85824 GPRESSAVG: 2808800 2.64075 -33.2712 39.0828 -36.6627 -20.9203 57.1186 35.4396 55.0355 8.25658 TIMING: 2808800 CPU: 8943.32, 0.00313133/step Wall: 8943.32, 0.00313133/step, 1.90593 hours remaining, 239.835938 MB of memory in use. ENERGY: 2808800 3922.5558 20521.6032 14474.6382 245.8697 -202905.1314 2483.0196 0.0000 0.0000 52055.3616 -109202.0834 299.1629 -161257.4450 -108835.2841 299.9948 35.8210 68.8865 762564.2140 -3.3598 -3.3410 PRESSURE: 2809000 -70.9975 -213.303 258.845 -213.303 163.636 81.8857 258.845 81.8851 93.8505 GPRESSURE: 2809000 73.0031 -216.759 199.91 -224.019 153.186 40.254 362.273 -11.6229 57.4824 PRESSAVG: 2809000 54.5518 -4.56897 29.3512 -4.56899 2.80045 20.0429 29.3512 20.0429 -5.24718 GPRESSAVG: 2809000 56.0209 -5.91274 25.9147 -0.311019 1.76373 18.8497 31.5569 19.1587 -5.84399 TIMING: 2809000 CPU: 8943.94, 0.00313086/step Wall: 8943.94, 0.00313086/step, 1.90547 hours remaining, 239.835938 MB of memory in use. ENERGY: 2809000 3977.2144 20486.0829 14519.9655 248.9063 -203398.1973 2904.1188 0.0000 0.0000 52097.9106 -109163.9987 299.4074 -161261.9094 -108808.9519 300.1207 62.1630 94.5573 760447.5178 17.3684 17.3135 PRESSURE: 2809200 75.0931 -60.3657 -65.9794 -60.3661 -86.4314 18.7968 -65.9798 18.7957 -475.38 GPRESSURE: 2809200 11.2284 13.5946 10.5284 -80.4181 -79.7708 -39.1315 -122.993 31.1431 -327.416 PRESSAVG: 2809200 -1.99645 -21.2405 -1.69453 -21.2405 5.17765 37.598 -1.69454 37.598 4.85467 GPRESSAVG: 2809200 -2.79826 -20.9635 0.0834221 -22.0166 4.33185 36.6976 -2.37642 39.8503 5.75392 TIMING: 2809200 CPU: 8944.57, 0.00313794/step Wall: 8944.57, 0.00313794/step, 1.90961 hours remaining, 239.835938 MB of memory in use. ENERGY: 2809200 3918.0105 20434.1036 14486.3049 254.9246 -202937.1035 2389.1768 0.0000 0.0000 52265.3374 -109189.2458 300.3696 -161454.5832 -108811.5872 299.6290 -162.2396 -131.9861 762005.6527 2.6786 2.4292 PRESSURE: 2809400 -21.761 131.155 158.101 131.156 -53.5171 -3.77589 158.101 -3.7766 255.159 GPRESSURE: 2809400 47.0424 40.6243 120.92 68.4381 -55.1479 19.094 16.1478 -62.5878 261.492 PRESSAVG: 2809400 14.3782 -36.471 65.0271 -36.471 -44.0303 -19.4907 65.027 -19.4908 9.47187 GPRESSAVG: 2809400 14.5483 -37.6801 63.744 -35.8662 -42.3805 -17.0433 65.0651 -22.0302 7.93017 TIMING: 2809400 CPU: 8945.19, 0.00312676/step Wall: 8945.19, 0.00312676/step, 1.90264 hours remaining, 239.835938 MB of memory in use. ENERGY: 2809400 3913.1330 20442.9983 14476.9480 238.0608 -203243.8245 2724.0973 0.0000 0.0000 52080.0749 -109368.5122 299.3049 -161448.5871 -109014.5229 299.4000 59.9603 84.4621 762245.8733 -6.7267 -6.6340 PRESSURE: 2809600 56.9484 120.2 190.646 120.2 -113.92 -32.2208 190.646 -32.22 122.093 GPRESSURE: 2809600 64.726 121.946 237.504 73.9364 -36.072 -26.3533 59.4312 -9.24131 139.994 PRESSAVG: 2809600 -4.25829 0.578277 33.7251 0.578216 1.88326 -5.4656 33.7251 -5.46568 3.94823 GPRESSAVG: 2809600 -4.11755 0.400831 35.1927 0.0749275 1.26238 -6.42854 33.0702 -4.19044 4.27138 TIMING: 2809600 CPU: 8945.82, 0.00313153/step Wall: 8945.82, 0.00313153/step, 1.90536 hours remaining, 239.835938 MB of memory in use. ENERGY: 2809600 3934.3562 20477.5059 14406.8030 246.9375 -203253.2331 2677.4286 0.0000 0.0000 52003.2661 -109506.9358 298.8635 -161510.2019 -109150.2252 299.3017 21.7072 56.2161 760923.5888 0.5244 0.4721 PRESSURE: 2809800 -26.4431 -64.3146 -129.32 -64.314 45.9787 -85.7245 -129.32 -85.7245 -13.8069 GPRESSURE: 2809800 -17.5994 -82.1296 -169.092 38.6862 49.7372 -144.956 -92.7354 -118.153 53.9432 PRESSAVG: 2809800 -28.5439 -32.3422 -10.3854 -32.3422 41.0011 12.433 -10.3854 12.4331 -25.6364 GPRESSAVG: 2809800 -30.0848 -32.2833 -13.0286 -32.7287 42.0806 12.2999 -7.98151 11.545 -24.6844 TIMING: 2809800 CPU: 8946.45, 0.00313597/step Wall: 8946.45, 0.00313597/step, 1.90789 hours remaining, 239.835938 MB of memory in use. ENERGY: 2809800 3973.5294 20361.2196 14418.3742 251.3306 -203504.8764 2539.4850 0.0000 0.0000 52297.6676 -109663.2701 300.5554 -161960.9377 -109299.5760 298.9826 1.9096 28.6937 762307.4979 -4.3931 -4.2295 PRESSURE: 2810000 -137.365 77.3743 38.4192 77.3741 -235.437 32.6295 38.4191 32.6299 77.6222 GPRESSURE: 2810000 -144.391 0.98392 -64.1586 63.2145 -112.611 -2.05745 70.4564 93.1052 42.0892 PRESSAVG: 2810000 22.24 -55.1828 26.3344 -55.1827 2.69516 1.15763 26.3345 1.15773 -5.94166 GPRESSAVG: 2810000 22.3067 -54.0616 27.9201 -54.9826 2.91336 0.700101 27.1417 2.46255 -6.22327 TIMING: 2810000 CPU: 8947.07, 0.00312927/step Wall: 8947.07, 0.00312927/step, 1.90364 hours remaining, 239.835938 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: 2810000 4030.1173 20547.1028 14407.7969 238.9505 -203187.6755 2338.6342 0.0000 0.0000 51945.8952 -109679.1787 298.5338 -161625.0738 -109318.8126 298.9179 -98.3934 -71.6377 762564.0915 6.3312 6.3323 PRESSURE: 2810200 -203.734 -37.5093 233.571 -37.5106 35.4949 66.3286 233.572 66.3279 401.973 GPRESSURE: 2810200 -67.7198 -75.503 216.167 -125.118 16.2975 67.1071 85.1129 83.2924 362.314 PRESSAVG: 2810200 4.44601 -19.586 15.6278 -19.586 -36.5381 -23.3577 15.6278 -23.3577 -10.7332 GPRESSAVG: 2810200 5.4808 -20.7403 16.0113 -19.7625 -36.7013 -24.5055 12.8503 -23.0676 -11.1457 TIMING: 2810200 CPU: 8947.7, 0.00314512/step Wall: 8947.7, 0.00314512/step, 1.91311 hours remaining, 239.835938 MB of memory in use. ENERGY: 2810200 3980.4088 20396.9072 14450.5333 240.4599 -203602.1115 2797.1694 0.0000 0.0000 52039.6714 -109696.9615 299.0727 -161736.6329 -109329.4643 298.8876 77.9113 103.6305 759632.7291 -14.2751 -14.1220 PRESSURE: 2810400 105.554 -51.5275 -380.405 -51.5278 56.1995 -43.6356 -380.405 -43.636 -90.122 GPRESSURE: 2810400 153.157 -8.3146 -253.898 -38.0725 139.803 -92.2176 -301.2 -51.6496 -113.206 PRESSAVG: 2810400 -61.6217 -60.4515 12.3657 -60.4514 13.2467 30.916 12.3656 30.916 15.0863 GPRESSAVG: 2810400 -60.1999 -58.1329 11.1927 -61.29 12.0532 31.6751 12.0324 30.9992 14.2393 TIMING: 2810400 CPU: 8948.33, 0.00312907/step Wall: 8948.33, 0.00312907/step, 1.90317 hours remaining, 239.835938 MB of memory in use. ENERGY: 2810400 3946.5085 20434.3251 14413.6011 258.7793 -203207.3854 2464.4605 0.0000 0.0000 52091.4025 -109598.3085 299.3700 -161689.7109 -109221.1518 299.3136 23.8771 59.9178 761232.7642 -11.0962 -11.3025 PRESSURE: 2810600 -473.64 107.383 -148.375 107.383 -200.998 7.02251 -148.374 7.02259 -2.44662 GPRESSURE: 2810600 -529.615 175.391 -164.588 213.445 -68.9152 72.7896 -122.371 -28.5389 11.1086 PRESSAVG: 2810600 26.4806 -31.5948 17.1907 -31.5948 -19.4596 1.86384 17.1907 1.86388 -15.9543 GPRESSAVG: 2810600 24.9392 -30.903 18.0945 -30.4836 -18.9363 1.97067 16.6516 0.695662 -14.812 TIMING: 2810600 CPU: 8948.96, 0.00313288/step Wall: 8948.96, 0.00313288/step, 1.90532 hours remaining, 239.835938 MB of memory in use. ENERGY: 2810600 4001.2892 20506.5565 14423.6907 253.1049 -203327.4664 2538.4150 0.0000 0.0000 51747.0697 -109857.3404 297.3911 -161604.4101 -109500.4916 298.8241 -225.6949 -195.8073 759824.4996 -2.9778 -2.9364 PRESSURE: 2810800 281.08 -31.575 -115.569 -31.5747 70.5825 186.368 -115.568 186.369 239.565 GPRESSURE: 2810800 286.489 34.2748 -116.676 -0.0702265 154.019 232.603 -64.7177 79.341 245.536 PRESSAVG: 2810800 35.2396 -1.51684 -29.3428 -1.51677 -64.24 -5.68465 -29.3428 -5.68464 17.4077 GPRESSAVG: 2810800 35.0264 -3.23812 -29.3027 -1.60953 -64.1877 -4.22549 -28.8777 -6.92391 17.3699 TIMING: 2810800 CPU: 8949.58, 0.00314225/step Wall: 8949.58, 0.00314225/step, 1.91084 hours remaining, 239.835938 MB of memory in use. ENERGY: 2810800 3858.3847 20541.2561 14456.6687 251.7898 -203209.3921 2477.0123 0.0000 0.0000 51802.6931 -109821.5874 297.7108 -161624.2805 -109458.2527 298.2841 197.0759 228.6815 760169.3499 -3.8642 -3.9305 PRESSURE: 2811000 408.76 -202.435 263.099 -202.435 99.3502 -29.3836 263.101 -29.384 -82.1088 GPRESSURE: 2811000 384.456 -246.687 189.322 -193.86 158.2 -78.9432 252.54 130.116 -40.7868 PRESSAVG: 2811000 -16.1022 -1.24094 -16.1109 -1.2409 -28.1692 -37.5171 -16.1109 -37.5171 -0.0722257 GPRESSAVG: 2811000 -17.0091 0.26912 -16.9113 -1.15365 -28.1557 -37.833 -14.7706 -35.5242 0.356721 TIMING: 2811000 CPU: 8950.21, 0.00314486/step Wall: 8950.21, 0.00314485/step, 1.91225 hours remaining, 239.835938 MB of memory in use. ENERGY: 2811000 3953.1683 20369.5182 14484.0103 241.6223 -203059.5046 2439.7143 0.0000 0.0000 51859.8153 -109711.6558 298.0391 -161571.4711 -109340.3675 298.4746 142.0003 167.2896 760617.0149 -14.7812 -14.9360 PRESSURE: 2811200 -109.182 33.1531 89.7891 33.1526 270.087 -139.495 89.7893 -139.494 142.082 GPRESSURE: 2811200 40.1218 86.9332 156.04 24.4692 215.389 -90.7042 -37.7434 -106.738 124.304 PRESSAVG: 2811200 32.3979 -12.3525 14.618 -12.3525 -24.8957 16.1184 14.6179 16.1185 9.33855 GPRESSAVG: 2811200 35.4244 -12.8364 16.2173 -11.5209 -26.1394 16.7616 13.0501 16.9949 7.92843 TIMING: 2811200 CPU: 8950.84, 0.00312644/step Wall: 8950.84, 0.00312644/step, 1.90087 hours remaining, 239.835938 MB of memory in use. ENERGY: 2811200 3943.7420 20364.7355 14400.0800 268.6414 -203364.5283 2542.0379 0.0000 0.0000 52271.4092 -109573.8823 300.4045 -161845.2915 -109213.7606 298.5917 100.9953 126.6048 759797.4571 5.6136 5.7378 PRESSURE: 2811400 -214.854 -229.563 102.461 -229.563 18.844 -2.18262 102.461 -2.18199 -229.577 GPRESSURE: 2811400 -217.566 -198.849 85.3276 -141.76 110.038 -56.5769 178.173 1.04165 -212.712 PRESSAVG: 2811400 4.60688 -21.0301 26.1142 -21.0301 -0.0239137 -48.5634 26.1142 -48.5634 -25.8962 GPRESSAVG: 2811400 2.68794 -21.6673 24.1189 -21.783 1.21035 -50.4053 26.439 -48.2351 -25.2704 TIMING: 2811400 CPU: 8951.47, 0.00313709/step Wall: 8951.47, 0.0031371/step, 1.90718 hours remaining, 239.835938 MB of memory in use. ENERGY: 2811400 3950.6465 20490.7128 14319.7209 233.1030 -203014.8894 2249.2906 0.0000 0.0000 52074.5146 -109696.9010 299.2730 -161771.4156 -109335.5455 299.1255 -141.8624 -106.7466 758723.9080 -7.1044 -7.1240 PRESSURE: 2811600 198.383 -234.869 80.675 -234.87 -72.5894 21.0021 80.6753 21.0025 230.089 GPRESSURE: 2811600 250.869 -141.889 95.5602 -124.01 81.0026 30.0648 175.204 39.024 111.725 PRESSAVG: 2811600 -2.45956 -21.0558 -7.07951 -21.0558 -9.756 -50.8981 -7.07951 -50.8982 -10.7237 GPRESSAVG: 2811600 -2.85113 -20.1745 -5.55649 -21.9579 -8.41047 -49.1749 -8.16619 -52.7228 -11.3492 TIMING: 2811600 CPU: 8952.09, 0.00314049/step Wall: 8952.09, 0.00314049/step, 1.90907 hours remaining, 239.835938 MB of memory in use. ENERGY: 2811600 3971.1017 20346.8257 14357.0676 255.4495 -203360.5582 2662.5861 0.0000 0.0000 52231.5279 -109535.9997 300.1753 -161767.5276 -109178.1286 299.1570 118.6275 147.8657 758043.8486 -7.6464 -7.5369 PRESSURE: 2811800 133.338 104.319 -155.093 104.319 17.8064 316.588 -155.092 316.588 178.585 GPRESSURE: 2811800 96.8029 186.846 -149.52 151.983 75.0008 253.69 -90.1049 270.929 240.647 PRESSAVG: 2811800 42.9393 5.63406 -33.5056 5.63409 -3.42938 11.6841 -33.5056 11.6841 -16.1069 GPRESSAVG: 2811800 42.7962 4.34894 -33.3254 7.50644 -4.4374 9.32293 -32.8509 10.5502 -15.0379 TIMING: 2811800 CPU: 8952.72, 0.00312583/step Wall: 8952.72, 0.00312583/step, 1.89998 hours remaining, 239.835938 MB of memory in use. ENERGY: 2811800 3950.4955 20602.8662 14367.0360 249.6765 -202817.9655 2276.4196 0.0000 0.0000 51941.9321 -109429.5396 298.5110 -161371.4717 -109075.9045 299.1958 109.9096 137.4836 760488.2155 7.8010 7.7736 PRESSURE: 2812000 253.344 31.6177 120.878 31.6179 -131.213 -102.313 120.878 -102.314 16.7022 GPRESSURE: 2812000 234.69 -26.1632 -4.91251 24.0883 4.77891 -46.799 43.2452 -123.458 -10.2687 PRESSAVG: 2812000 51.7807 -29.067 34.1465 -29.0669 -10.6206 -27.4531 34.1465 -27.4531 14.4642 GPRESSAVG: 2812000 52.6593 -30.2119 33.271 -31.4106 -11.254 -26.6377 33.9232 -27.0348 14.2873 TIMING: 2812000 CPU: 8953.35, 0.0031349/step Wall: 8953.35, 0.0031349/step, 1.90532 hours remaining, 239.835938 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: 2812000 4040.5804 20586.7210 14368.4607 254.4338 -203414.5557 2652.7748 0.0000 0.0000 52200.4697 -109311.1153 299.9968 -161511.5850 -108964.1471 299.2098 46.2777 76.4000 759135.8222 18.5414 18.5642 PRESSURE: 2812200 -151.743 135.325 -99.5189 135.324 52.006 -160.69 -99.5192 -160.689 544.058 GPRESSURE: 2812200 -2.31995 184.114 -82.3904 110.284 97.4332 -90.886 -59.0375 -87.8753 438.762 PRESSAVG: 2812200 -7.29647 -52.9344 52.7341 -52.9344 -16.3659 3.26295 52.7341 3.26294 3.26953 GPRESSAVG: 2812200 -7.21489 -50.5319 52.7726 -53.7287 -15.6742 2.78299 53.4909 3.99226 2.68701 TIMING: 2812200 CPU: 8953.97, 0.00313446/step Wall: 8953.97, 0.00313446/step, 1.90488 hours remaining, 239.835938 MB of memory in use. ENERGY: 2812200 3949.9591 20344.4131 14470.1296 226.1685 -203093.3098 2609.0894 0.0000 0.0000 52153.2081 -109340.3420 299.7252 -161493.5501 -108958.7619 299.8728 148.1070 177.9586 761846.9393 -6.7976 -6.7340 LDB: ============= START OF LOAD BALANCING ============== 8966.42 LDB: ============== END OF LOAD BALANCING =============== 8966.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8966.43 LDB: ============= START OF LOAD BALANCING ============== 8966.74 LDB: Largest compute 7056 load 0.032695 is 16.7% of average load 0.195399 LDB: Average compute 0.004386 is 2.2% of average load 0.195399 LDB: TIME 8966.74 LOAD: AVG 0.195399 MAX 0.214275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 8966.74 LOAD: AVG 0.195399 MAX 0.214275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 8966.74 LOAD: AVG 0.195399 MAX 0.214275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 8966.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8966.75 PRESSURE: 2812400 -198.167 55.1046 -86.4624 55.1044 -281.41 -35.1488 -86.462 -35.149 -336.256 GPRESSURE: 2812400 -293.479 -60.9451 -89.5186 129.871 -116.235 -108.217 -141.926 69.9386 -314.959 PRESSAVG: 2812400 52.332 18.4227 -26.3883 18.4228 -79.6725 -19.593 -26.3883 -19.593 -14.0864 GPRESSAVG: 2812400 52.1733 15.6302 -24.916 19.1997 -80.258 -17.8226 -27.4278 -21.5067 -13.7497 TIMING: 2812400 CPU: 8954.61, 0.00321234/step Wall: 8954.61, 0.00321234/step, 1.95203 hours remaining, 241.378906 MB of memory in use. ENERGY: 2812400 4023.9077 20477.6090 14454.8036 237.4036 -203080.1405 2279.0046 0.0000 0.0000 52078.8003 -109528.6118 299.2976 -161607.4121 -109160.7378 299.6133 -271.9444 -241.5578 760496.1038 -13.8090 -13.9448 PRESSURE: 2812600 159.316 -182.575 29.3668 -182.575 95.0137 -34.9077 29.367 -34.9073 31.6664 GPRESSURE: 2812600 201.239 -213.014 47.581 -200.785 98.364 -6.24118 31.1553 23.3014 65.2926 PRESSAVG: 2812600 77.3483 -48.3791 20.447 -48.379 -36.2028 -65.0189 20.447 -65.019 -13.9628 GPRESSAVG: 2812600 77.6451 -47.6405 18.1188 -47.8856 -38.0955 -65.3293 23.3989 -64.7421 -12.6582 TIMING: 2812600 CPU: 8955.24, 0.00312795/step Wall: 8955.24, 0.00312795/step, 1.90057 hours remaining, 241.582031 MB of memory in use. ENERGY: 2812600 3896.0624 20555.4923 14495.6445 280.9780 -203374.9406 2400.5168 0.0000 0.0000 52106.2692 -109639.9773 299.4554 -161746.2465 -109283.7719 299.5008 95.3321 121.6319 761035.3174 9.0609 8.9638 PRESSURE: 2812800 -242.53 120.915 -100.073 120.915 115.847 56.2862 -100.074 56.2856 205.375 GPRESSURE: 2812800 -207.41 136.926 41.2256 81.1335 146.316 19.8075 -212.709 26.3998 230.167 PRESSAVG: 2812800 12.2409 33.5167 -43.4502 33.5168 -26.7393 34.1622 -43.4502 34.1621 30.079 GPRESSAVG: 2812800 11.0401 34.197 -44.1355 34.0768 -23.8932 34.3858 -45.5736 33.8289 28.2787 TIMING: 2812800 CPU: 8955.87, 0.00313424/step Wall: 8955.87, 0.00313424/step, 1.90422 hours remaining, 241.582031 MB of memory in use. ENERGY: 2812800 3960.0726 20404.1488 14484.4836 263.2950 -202987.7514 2178.3512 0.0000 0.0000 52134.8971 -109562.5031 299.6200 -161697.4002 -109197.0313 299.3046 26.2304 56.3578 759453.8179 5.1935 5.1419 PRESSURE: 2813000 -88.1032 101.041 -147.664 101.041 -291.696 -94.1991 -147.663 -94.1995 -244.17 GPRESSURE: 2813000 -7.44623 175.642 -206.325 176.218 -332.266 -172.465 -133.924 -48.5671 -194.001 PRESSAVG: 2813000 28.5526 58.0621 -4.26726 58.0621 34.2847 16.0724 -4.26724 16.0723 -17.6953 GPRESSAVG: 2813000 29.4416 58.9548 -4.02803 55.3239 33.9162 18.1377 -3.72172 15.5847 -17.9143 TIMING: 2813000 CPU: 8956.49, 0.00313322/step Wall: 8956.49, 0.00313322/step, 1.90343 hours remaining, 241.582031 MB of memory in use. ENERGY: 2813000 4076.4963 20518.1740 14534.1755 257.8911 -203036.8941 2228.9160 0.0000 0.0000 51922.8681 -109498.3731 298.4014 -161421.2412 -109127.8125 299.5839 -207.9896 -177.9044 761935.8793 15.0473 15.1478 PRESSURE: 2813200 84.3305 -179.884 -64.8922 -179.883 237.905 -3.08458 -64.8917 -3.08492 169.805 GPRESSURE: 2813200 99.3365 -198.228 -105.564 -159.685 267.176 -45.8063 -127.186 22.7023 206.795 PRESSAVG: 2813200 -30.5059 0.803552 7.67328 0.803505 1.44027 -41.1282 7.67335 -41.1283 15.1389 GPRESSAVG: 2813200 -30.2302 -0.489254 8.72872 1.87649 1.11456 -44.8935 7.26866 -38.5183 14.8897 TIMING: 2813200 CPU: 8957.12, 0.00312806/step Wall: 8957.12, 0.00312806/step, 1.90012 hours remaining, 241.582031 MB of memory in use. ENERGY: 2813200 3981.8825 20458.3470 14489.8198 230.3652 -203228.5715 2513.4555 0.0000 0.0000 52107.4883 -109447.2133 299.4625 -161554.7016 -109066.6555 298.9996 164.0133 191.1023 759631.4881 -4.6423 -4.7420 PRESSURE: 2813400 160.78 21.9536 72.7206 21.9537 -27.1379 -36.5164 72.7205 -36.5167 0.139028 GPRESSURE: 2813400 204.013 -107.851 131.774 10.3403 72.0996 -75.2432 61.9694 10.3738 -73.1809 PRESSAVG: 2813400 9.15553 -19.4151 -41.752 -19.4151 -39.7361 -32.0444 -41.7521 -32.0444 23.0575 GPRESSAVG: 2813400 7.06485 -18.8372 -41.1585 -20.4085 -38.3606 -31.2843 -43.6097 -30.6364 23.169 TIMING: 2813400 CPU: 8957.75, 0.00313472/step Wall: 8957.75, 0.00313472/step, 1.904 hours remaining, 241.582031 MB of memory in use. ENERGY: 2813400 3900.8524 20596.8764 14459.0121 246.2052 -203612.2195 2807.6134 0.0000 0.0000 52346.2675 -109255.3925 300.8347 -161601.6600 -108887.7194 299.4478 44.5937 67.6439 761842.6600 -2.5077 -2.7089 PRESSURE: 2813600 217.993 7.86758 -174.975 7.86795 4.08958 -156.79 -174.975 -156.788 -468.495 GPRESSURE: 2813600 297.369 136.835 -141.168 48.1773 8.41632 -152.556 -181.858 -185.009 -452.872 PRESSAVG: 2813600 -5.69448 61.9215 -21.4225 61.9215 29.4728 -3.02334 -21.4225 -3.02336 -1.90101 GPRESSAVG: 2813600 -3.78857 62.2393 -22.4078 60.4113 28.0221 -2.5554 -19.4602 -2.37127 -1.74206 TIMING: 2813600 CPU: 8958.38, 0.00314399/step Wall: 8958.38, 0.00314399/step, 1.90945 hours remaining, 241.582031 MB of memory in use. ENERGY: 2813600 4018.7450 20551.4562 14481.7339 248.8327 -203302.9365 2502.8314 0.0000 0.0000 51920.8255 -109578.5119 298.3897 -161499.3374 -109227.8774 299.4194 -82.1373 -49.0288 761882.8015 7.2924 7.4971 PRESSURE: 2813800 -293.7 12.7695 -163.849 12.769 -269.309 152.852 -163.848 152.852 71.2307 GPRESSURE: 2813800 -239.398 9.4482 -171.349 -4.21672 -281.311 193.486 -209.438 -11.3551 128.216 PRESSAVG: 2813800 -2.0297 -34.6092 -6.76628 -34.6093 43.9761 44.8109 -6.76623 44.8109 -41.8604 GPRESSAVG: 2813800 -1.6454 -36.9046 -5.7588 -30.1119 41.8031 44.5652 -6.52527 41.9999 -40.6246 TIMING: 2813800 CPU: 8959.01, 0.0031507/step Wall: 8959.01, 0.0031507/step, 1.91335 hours remaining, 241.582031 MB of memory in use. ENERGY: 2813800 3907.7395 20441.8386 14469.6744 240.2517 -203021.8327 2390.2193 0.0000 0.0000 52171.9030 -109400.2061 299.8326 -161572.1091 -109026.3184 299.4845 -163.9259 -130.8311 761164.8869 0.0287 -0.1556 PRESSURE: 2814000 -260.803 -70.3139 351.59 -70.3138 -275.296 99.4574 351.591 99.4573 -252.27 GPRESSURE: 2814000 -135.091 -10.9207 295.177 19.878 -279.393 176.297 256.689 181.823 -260.548 PRESSAVG: 2814000 -5.86754 35.697 -7.6245 35.697 -7.62349 21.316 -7.62454 21.316 19.1937 GPRESSAVG: 2814000 -6.11048 37.8033 -7.54603 32.9911 -5.71344 21.8416 -12.4424 21.141 17.7799 TIMING: 2814000 CPU: 8959.63, 0.00313601/step Wall: 8959.63, 0.00313601/step, 1.90425 hours remaining, 241.582031 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: 2814000 3964.0807 20510.2093 14509.8388 257.2018 -202822.9191 1998.2622 0.0000 0.0000 52228.8692 -109354.4570 300.1600 -161583.3263 -109004.5305 299.3057 -262.7898 -225.0107 760560.2164 1.9009 1.9853 PRESSURE: 2814200 131.201 -241.836 -130.384 -241.837 24.2671 75.8698 -130.385 75.8692 72.3879 GPRESSURE: 2814200 182.65 -177.866 -93.4702 -185.817 51.6929 85.2931 -113.016 144.635 86.6009 PRESSAVG: 2814200 -24.298 45.0415 -16.9218 45.0415 52.216 29.8513 -16.9218 29.8513 -12.9771 GPRESSAVG: 2814200 -24.7378 45.1219 -19.3457 47.1808 51.6979 29.8023 -12.2469 30.3613 -12.1073 TIMING: 2814200 CPU: 8960.26, 0.00313536/step Wall: 8960.26, 0.00313536/step, 1.90369 hours remaining, 241.582031 MB of memory in use. ENERGY: 2814200 3982.8748 20406.2007 14506.1754 255.6617 -202893.8264 2275.7134 0.0000 0.0000 51851.4307 -109615.7698 297.9909 -161467.2004 -109241.4959 298.9392 75.9521 106.9811 759866.8637 4.9803 4.9509 PRESSURE: 2814400 -283.138 225.923 8.70024 225.923 82.1091 216.134 8.70018 216.135 -89.9186 GPRESSURE: 2814400 -280.57 138.697 -77.7498 168.092 95.5384 216.436 121.517 251.489 -14.7133 PRESSAVG: 2814400 -35.7862 -13.3684 -55.6483 -13.3685 21.6762 24.8917 -55.6482 24.8918 1.5531 GPRESSAVG: 2814400 -36.1274 -14.5383 -55.094 -15.3192 22.5623 24.1843 -54.7708 26.3518 0.552127 TIMING: 2814400 CPU: 8960.89, 0.00313035/step Wall: 8960.89, 0.00313035/step, 1.90047 hours remaining, 241.582031 MB of memory in use. ENERGY: 2814400 3956.5976 20439.5915 14503.0553 256.4251 -203314.7797 2516.0096 0.0000 0.0000 52079.5231 -109563.5776 299.3017 -161643.1007 -109209.7993 298.3252 -96.9826 -66.5816 760101.3074 -4.1856 -4.3377 PRESSURE: 2814600 -322.826 -156.599 85.4268 -156.598 -264.324 81.9902 85.4276 81.991 -7.93216 GPRESSURE: 2814600 -246.868 -60.5223 153.38 -148.034 -265.873 -18.2353 99.9363 52.761 2.99072 PRESSAVG: 2814600 37.5429 19.9057 -36.4374 19.9058 -15.9205 47.4107 -36.4374 47.4108 3.99595 GPRESSAVG: 2814600 38.0852 19.5496 -35.0209 21.6372 -17.2367 49.2404 -37.6323 44.7053 4.0098 TIMING: 2814600 CPU: 8961.51, 0.00310997/step Wall: 8961.51, 0.00310997/step, 1.88792 hours remaining, 241.582031 MB of memory in use. ENERGY: 2814600 3996.3363 20559.4019 14527.9510 242.6694 -203157.0632 2313.9601 0.0000 0.0000 52120.9133 -109395.8311 299.5396 -161516.7443 -109038.7917 298.9741 -198.3609 -169.9168 761729.4922 8.5395 8.2861 PRESSURE: 2814800 -22.6143 118.526 -69.3922 118.526 -67.9454 -227.364 -69.3923 -227.365 176.225 GPRESSURE: 2814800 -2.72063 149.394 -29.3944 62.74 -5.51255 -249.376 -11.4714 -176.877 199.336 PRESSAVG: 2814800 1.31658 19.9825 -24.4632 19.9824 -26.9765 -23.2377 -24.4632 -23.2377 -1.86432 GPRESSAVG: 2814800 -0.135564 21.0275 -23.3129 20.7571 -26.3575 -22.9188 -25.6936 -21.7356 -0.733871 TIMING: 2814800 CPU: 8962.13, 0.00312956/step Wall: 8962.13, 0.00312956/step, 1.89964 hours remaining, 241.582031 MB of memory in use. ENERGY: 2814800 3961.8492 20417.0499 14429.1973 267.2406 -203365.0614 2405.3009 0.0000 0.0000 52313.9473 -109570.4761 300.6490 -161884.4234 -109213.3007 299.2387 28.5551 63.7008 759635.8932 -9.1747 -9.0756 PRESSURE: 2815000 134.286 -1.60503 -101.261 -1.60525 53.5184 139.498 -101.262 139.498 -374.908 GPRESSURE: 2815000 196.458 -44.3945 -147.886 18.4956 47.6213 98.083 -145.691 121.925 -338.016 PRESSAVG: 2815000 38.878 13.8675 17.7986 13.8674 -27.0567 -28.9939 17.7986 -28.9939 6.1435 GPRESSAVG: 2815000 40.1292 14.0788 15.749 11.7988 -27.3214 -30.1768 18.5923 -28.8606 5.56527 TIMING: 2815000 CPU: 8962.76, 0.0031382/step Wall: 8962.76, 0.0031382/step, 1.90472 hours remaining, 241.582031 MB of memory in use. ENERGY: 2815000 3948.4131 20689.1003 14528.3672 270.1176 -203910.8094 2608.5056 0.0000 0.0000 52169.1220 -109697.1836 299.8167 -161866.3056 -109330.9493 298.9958 -62.3678 -31.3121 759353.4049 5.9883 6.1243 PRESSURE: 2815200 113.366 64.2507 38.5796 64.2511 273.229 101.649 38.5796 101.649 488.149 GPRESSURE: 2815200 177.729 14.1841 48.3211 15.5386 259.51 150.353 -39.52 14.0627 533.239 PRESSAVG: 2815200 -5.10356 -4.67089 41.9883 -4.67092 5.93147 -21.2912 41.9883 -21.2912 6.48491 GPRESSAVG: 2815200 -5.59866 -4.70614 43.0177 -1.81854 6.6467 -21.1536 41.6956 -23.0718 5.65399 TIMING: 2815200 CPU: 8963.39, 0.00314385/step Wall: 8963.39, 0.00314385/step, 1.90797 hours remaining, 241.582031 MB of memory in use. ENERGY: 2815200 3995.2991 20400.7753 14460.8787 225.1558 -203792.9370 2861.6382 0.0000 0.0000 52256.3933 -109592.7966 300.3182 -161849.1899 -109234.7275 299.2170 291.5812 323.4926 759020.9630 2.4376 2.2340 PRESSURE: 2815400 -57.5941 94.3711 -71.552 94.3707 371.982 -166.64 -71.5524 -166.638 412.126 GPRESSURE: 2815400 27.2102 -1.41362 -102.293 139.486 438.943 -69.0749 -62.7675 -246.062 348.656 PRESSAVG: 2815400 -100.342 3.98148 26.6868 3.98143 46.5022 22.4416 26.6868 22.4416 -3.5181 GPRESSAVG: 2815400 -100.306 2.81112 26.7777 2.69564 45.573 23.0342 26.3264 22.7165 -2.47754 TIMING: 2815400 CPU: 8964.01, 0.00311938/step Wall: 8964.01, 0.00311938/step, 1.89295 hours remaining, 241.582031 MB of memory in use. ENERGY: 2815400 4011.0209 20523.6878 14503.8087 244.3747 -203421.7899 2728.0974 0.0000 0.0000 52024.6798 -109386.1206 298.9865 -161410.8004 -109022.4929 299.3812 242.1714 271.6031 759906.4282 -19.1192 -19.0701 PRESSURE: 2815600 104.02 6.0828 51.5206 6.08239 -99.5043 -0.132214 51.5204 -0.132026 -15.2737 GPRESSURE: 2815600 157.368 92.9311 80.5668 -7.39713 -122.043 11.2849 125.836 44.5565 57.3976 PRESSAVG: 2815600 -12.0195 4.40002 14.0162 4.39989 32.6902 56.1473 14.0161 56.1474 10.6896 GPRESSAVG: 2815600 -12.183 4.8257 14.0563 4.37994 33.5093 55.2108 14.9497 57.717 10.7067 TIMING: 2815600 CPU: 8964.64, 0.00312991/step Wall: 8964.64, 0.00312991/step, 1.89916 hours remaining, 241.582031 MB of memory in use. ENERGY: 2815600 4053.5193 20668.3651 14487.8958 250.2698 -203240.9403 2402.4422 0.0000 0.0000 52363.5356 -109014.9123 300.9340 -161378.4480 -108658.5773 300.5411 -3.5860 30.9077 761422.2080 10.4534 10.6777 PRESSURE: 2815800 316.895 -117.335 -129.046 -117.334 -299.14 253.096 -129.046 253.096 49.0891 GPRESSURE: 2815800 261.004 -198.945 -78.2149 -143.919 -238.205 319.616 -216.157 130.787 114.404 PRESSAVG: 2815800 -6.33699 -11.954 -0.211007 -11.9541 -26.34 25.5489 -0.211044 25.5489 3.2232 GPRESSAVG: 2815800 -5.79337 -12.1591 -0.903311 -11.4386 -26.304 26.5986 -1.08494 22.1735 2.84894 TIMING: 2815800 CPU: 8965.27, 0.00315101/step Wall: 8965.27, 0.00315101/step, 1.91179 hours remaining, 241.582031 MB of memory in use. ENERGY: 2815800 3990.1068 20707.5224 14469.9160 265.4167 -203183.5796 2385.1283 0.0000 0.0000 52081.8113 -109283.6780 299.3149 -161365.4893 -108928.3483 300.4320 22.2812 45.7344 760884.9691 -9.8179 -9.7495 PRESSURE: 2816000 -21.8076 -119.182 -193.074 -119.181 62.4635 -60.0912 -193.074 -60.0908 320.773 GPRESSURE: 2816000 8.96065 -167.354 -260.152 -186.588 92.0994 -25.1842 -129.914 91.1297 314.247 PRESSAVG: 2816000 22.1109 -33.0184 17.0964 -33.0184 -50.8931 55.2183 17.0964 55.2182 18.6731 GPRESSAVG: 2816000 22.1143 -33.6345 17.8685 -32.1072 -51.4526 55.6835 15.3584 57.5932 19.1113 TIMING: 2816000 CPU: 8965.9, 0.00313862/step Wall: 8965.9, 0.00313862/step, 1.9041 hours remaining, 241.582031 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: 2816000 3971.1634 20620.3132 14509.8622 233.0321 -203306.8658 2248.7291 0.0000 0.0000 52157.2707 -109566.4950 299.7486 -161723.7657 -109193.7254 299.6060 120.4764 138.4356 760350.1930 -3.3697 -3.4090 PRESSURE: 2816200 56.9579 -26.3484 33.3273 -26.3488 93.0003 235.183 33.328 235.183 222.929 GPRESSURE: 2816200 114.121 -30.9295 45.6715 22.3547 122.468 287.765 88.7909 302.454 233.023 PRESSAVG: 2816200 58.4529 23.3703 -67.1328 23.3703 -14.3908 11.6478 -67.1328 11.6479 24.8146 GPRESSAVG: 2816200 58.9212 25.814 -68.5898 24.7462 -13.3793 11.9271 -64.1564 10.3841 23.2158 TIMING: 2816200 CPU: 8966.52, 0.00313053/step Wall: 8966.52, 0.00313054/step, 1.89902 hours remaining, 241.582031 MB of memory in use. ENERGY: 2816200 3978.6712 20679.4245 14522.2681 241.2753 -203832.4263 2557.9210 0.0000 0.0000 52126.7224 -109726.1439 299.5730 -161852.8663 -109366.5270 298.9249 124.2957 156.5378 759147.0582 22.9589 22.9192 LDB: ============= START OF LOAD BALANCING ============== 8978.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8978.97 LDB: =============== DONE WITH MIGRATION ================ 8978.97 LDB: ============= START OF LOAD BALANCING ============== 8979.29 LDB: Largest compute 7070 load 0.034538 is 17.7% of average load 0.195346 LDB: Average compute 0.004382 is 2.2% of average load 0.195346 LDB: TIME 8979.29 LOAD: AVG 0.195346 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 8979.29 LOAD: AVG 0.195346 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 8979.29 LOAD: AVG 0.195346 MAX 0.215917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 8979.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8979.3 PRESSURE: 2816400 93.5677 -66.1427 263.43 -66.1436 -35.1529 210.09 263.43 210.09 -501.754 GPRESSURE: 2816400 133.947 -76.6099 205.214 85.5976 86.6139 192.851 223.355 206.072 -535.954 PRESSAVG: 2816400 73.7356 24.1697 49.4739 24.1697 -35.156 11.9756 49.474 11.9756 -38.9407 GPRESSAVG: 2816400 72.6373 22.8689 50.4414 22.9651 -35.6442 10.976 47.9066 13.8307 -36.9096 TIMING: 2816400 CPU: 8967.16, 0.00318874/step Wall: 8967.16, 0.00318874/step, 1.93415 hours remaining, 239.691406 MB of memory in use. ENERGY: 2816400 4016.7394 20507.9909 14378.2723 245.8435 -203595.1233 2711.7895 0.0000 0.0000 52252.8762 -109481.6115 300.2980 -161734.4877 -109112.9723 298.8892 -147.7798 -105.1308 760177.4220 -0.1204 0.0278 PRESSURE: 2816600 49.1526 -339.42 -23.7325 -339.42 46.7937 -216.166 -23.732 -216.164 -321.737 GPRESSURE: 2816600 69.1179 -231.53 -77.8908 -127.356 57.1529 -240.821 -24.3621 -135.385 -278.007 PRESSAVG: 2816600 85.6786 4.23697 30.7102 4.23693 -63.8149 12.8202 30.7101 12.8202 66.3175 GPRESSAVG: 2816600 86.2668 4.77142 30.5961 4.04468 -64.0315 13.5291 30.2091 11.9219 64.7399 TIMING: 2816600 CPU: 8967.79, 0.00315076/step Wall: 8967.79, 0.00315076/step, 1.91093 hours remaining, 239.894531 MB of memory in use. ENERGY: 2816600 4026.5481 20522.9619 14480.8968 231.9374 -203255.7072 2308.9049 0.0000 0.0000 52333.8450 -109350.6132 300.7633 -161684.4582 -108984.2152 299.4856 -75.2635 -50.5786 759907.3835 29.3937 28.9917 PRESSURE: 2816800 24.695 -19.9921 -171.79 -19.9936 -120.911 323.645 -171.789 323.645 28.8043 GPRESSURE: 2816800 81.9191 -11.6165 -182.3 43.9797 -22.2805 249.129 -195.555 147.495 -62.7951 PRESSAVG: 2816800 20.3457 -27.0952 2.9512 -27.0953 -48.1226 -1.00184 2.95116 -1.00178 0.130052 GPRESSAVG: 2816800 20.2118 -27.2136 2.17127 -27.8114 -48.6248 -1.19824 4.49925 -0.122632 0.914095 TIMING: 2816800 CPU: 8968.42, 0.00313292/step Wall: 8968.42, 0.00313292/step, 1.89994 hours remaining, 239.894531 MB of memory in use. ENERGY: 2816800 4004.0856 20477.6545 14528.8701 277.3160 -203340.1935 2421.4441 0.0000 0.0000 52248.9058 -109381.9173 300.2752 -161630.8231 -109017.6610 299.5628 -22.4705 -1.0522 760002.9943 -9.2156 -9.1663 PRESSURE: 2817000 58.5611 -70.5823 103.133 -70.5828 82.9304 97.2926 103.134 97.2923 -8.84066 GPRESSURE: 2817000 95.5266 -155.182 30.0517 -6.23748 46.7597 93.1824 176.281 58.2253 76.1627 PRESSAVG: 2817000 61.9187 -36.7281 29.759 -36.728 -47.6268 34.4716 29.7591 34.4716 2.74269 GPRESSAVG: 2817000 61.7734 -37.9106 29.0858 -37.5409 -47.0775 34.2271 30.6384 33.8253 3.04666 TIMING: 2817000 CPU: 8969.05, 0.00314506/step Wall: 8969.05, 0.00314506/step, 1.90713 hours remaining, 239.894531 MB of memory in use. ENERGY: 2817000 3974.2223 20517.8117 14460.6824 225.2582 -203222.0315 2534.6657 0.0000 0.0000 52241.9515 -109267.4398 300.2352 -161509.3912 -108907.4218 299.7737 44.2169 72.8163 762022.3740 5.6782 5.9142 PRESSURE: 2817200 -36.5935 -150.18 -63.0833 -150.18 88.1271 0.0838263 -63.0837 0.0830799 -146.552 GPRESSURE: 2817200 94.71 -10.4832 -49.5795 -71.1743 69.7653 82.5597 -66.9533 81.473 -170.535 PRESSAVG: 2817200 5.83166 -5.30991 34.3521 -5.30996 -0.651038 35.5301 34.3521 35.5301 17.053 GPRESSAVG: 2817200 6.17887 -5.98929 35.6285 -4.19583 -0.33583 36.4099 33.0328 35.4798 16.8287 TIMING: 2817200 CPU: 8969.67, 0.00312062/step Wall: 8969.67, 0.00312062/step, 1.89213 hours remaining, 239.894531 MB of memory in use. ENERGY: 2817200 4013.7850 20573.6964 14495.2192 251.6998 -203388.6696 2683.6260 0.0000 0.0000 51847.6040 -109523.0392 297.9689 -161370.6431 -109166.4568 299.5843 -31.6727 -2.0198 761049.1540 7.4112 7.5572 PRESSURE: 2817400 -191.173 -13.0372 44.9265 -13.0378 343.018 -175.503 44.9271 -175.503 80.634 GPRESSURE: 2817400 -108.59 4.39173 14.5561 -60.9399 353.035 -76.1358 -176.052 1.24485 71.5765 PRESSAVG: 2817400 -3.48444 2.57806 45.6631 2.57811 3.24018 16.5632 45.6631 16.5632 0.946806 GPRESSAVG: 2817400 -5.2461 1.73172 44.9007 2.58003 4.68641 15.1943 43.8109 16.6696 1.24061 TIMING: 2817400 CPU: 8970.3, 0.00312265/step Wall: 8970.3, 0.00312265/step, 1.89319 hours remaining, 239.894531 MB of memory in use. ENERGY: 2817400 3992.0291 20518.2475 14499.7601 237.9205 -203061.8960 2367.6248 0.0000 0.0000 52155.5791 -109290.7349 299.7388 -161446.3141 -108924.6773 299.4342 77.4930 105.3405 760497.5427 0.2342 0.2270 PRESSURE: 2817600 -169.497 138.313 79.4965 138.314 -106.965 -35.6173 79.496 -35.6181 -129.407 GPRESSURE: 2817600 -59.8916 130.532 52.8195 111.37 -127.419 -31.1256 -19.0919 -36.9228 -137.642 PRESSAVG: 2817600 7.13978 20.4284 -20.7264 20.4284 11.7395 -23.1044 -20.7264 -23.1044 -9.11494 GPRESSAVG: 2817600 7.13787 21.3332 -19.4289 18.776 10.4773 -22.6895 -20.2467 -23.567 -7.94198 TIMING: 2817600 CPU: 8970.92, 0.00312238/step Wall: 8970.92, 0.00312238/step, 1.89285 hours remaining, 239.894531 MB of memory in use. ENERGY: 2817600 3916.8074 20512.2085 14508.4475 232.2460 -203087.2114 2359.1354 0.0000 0.0000 52140.2141 -109418.1524 299.6505 -161558.3666 -109047.8149 299.5614 -135.2898 -108.3178 760837.0294 3.2548 3.2244 PRESSURE: 2817800 -51.1286 -47.9022 -65.6929 -47.9017 -192.465 -23.3411 -65.6935 -23.3406 66.2477 GPRESSURE: 2817800 -61.1677 60.7236 -17.1091 -44.752 -134.103 -44.5797 -48.6706 -26.8587 110.799 PRESSAVG: 2817800 20.3222 30.7517 -14.0669 30.7516 -42.5377 -10.8699 -14.0669 -10.87 0.00216015 GPRESSAVG: 2817800 21.4859 32.3335 -16.1514 31.5026 -43.3015 -9.66573 -12.9222 -10.0063 -0.307422 TIMING: 2817800 CPU: 8971.54, 0.00312119/step Wall: 8971.54, 0.00312119/step, 1.89196 hours remaining, 239.894531 MB of memory in use. ENERGY: 2817800 4042.1361 20328.9986 14435.7709 251.0374 -203219.0273 2489.4130 0.0000 0.0000 52106.0899 -109565.5813 299.4544 -161671.6712 -109197.8722 298.9941 -59.1154 -28.1574 762425.0310 -7.4045 -7.3744 PRESSURE: 2818000 211.532 -87.4594 90.1181 -87.46 44.2567 27.9961 90.1178 27.9958 -20.6186 GPRESSURE: 2818000 192.585 -6.78913 22.1702 -40.6168 15.0329 -49.464 123.413 113.694 106.961 PRESSAVG: 2818000 9.14295 -53.558 30.2719 -53.558 -46.8189 -39.5248 30.2719 -39.5247 -3.83538 GPRESSAVG: 2818000 9.22517 -52.9821 31.1526 -52.7631 -46.4683 -40.7584 30.7864 -38.9958 -4.3009 TIMING: 2818000 CPU: 8972.17, 0.00313019/step Wall: 8972.17, 0.00313018/step, 1.89724 hours remaining, 239.894531 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: 2818000 4014.0479 20388.3064 14457.0598 252.9896 -203563.2481 2606.9317 0.0000 0.0000 52167.0937 -109676.8190 299.8050 -161843.9127 -109313.8865 298.7332 78.3900 104.8594 761565.9830 -13.8371 -13.8480 PRESSURE: 2818200 262.662 57.7279 110.289 57.7269 119.859 117.423 110.289 117.424 174.305 GPRESSURE: 2818200 174.491 12.7187 118.596 33.5617 238.44 23.6193 107.461 14.6132 232.462 PRESSAVG: 2818200 -31.7336 -32.0443 -48.4708 -32.0443 -1.93822 11.746 -48.4708 11.746 -9.85215 GPRESSAVG: 2818200 -33.172 -30.4524 -47.9998 -32.6121 -1.50032 13.3502 -51.1868 11.8334 -9.32387 TIMING: 2818200 CPU: 8972.8, 0.00312112/step Wall: 8972.8, 0.00312112/step, 1.89157 hours remaining, 239.894531 MB of memory in use. ENERGY: 2818200 3933.1213 20320.7464 14502.4843 240.9054 -203386.7246 2811.4123 0.0000 0.0000 51934.1641 -109643.8908 298.4664 -161578.0550 -109282.4105 298.9065 185.6089 215.1314 759941.3960 -14.5080 -14.6654 PRESSURE: 2818400 149.125 -12.8143 -155.481 -12.8149 -232.197 -131.379 -155.48 -131.379 31.7615 GPRESSURE: 2818400 187.044 -18.7359 -153.429 18.1941 -145.131 -143.757 -107.258 -90.0791 -21.4891 PRESSAVG: 2818400 -9.04109 -39.1144 0.0946434 -39.1144 0.450483 -14.3543 0.0945999 -14.3543 1.31237 GPRESSAVG: 2818400 -8.291 -42.236 -0.185689 -39.1908 0.234345 -14.9683 1.66103 -14.4606 0.915567 TIMING: 2818400 CPU: 8973.42, 0.00311967/step Wall: 8973.42, 0.00311967/step, 1.89052 hours remaining, 239.894531 MB of memory in use. ENERGY: 2818400 3941.8868 20493.5238 14463.3640 262.8666 -203369.5004 2589.0439 0.0000 0.0000 52165.0757 -109453.7396 299.7934 -161618.8153 -109089.3092 298.4183 -17.1036 6.8078 760854.0106 -2.4261 -2.3804 PRESSURE: 2818600 37.418 99.4437 -292.489 99.4437 145.75 -80.2589 -292.49 -80.2598 217.97 GPRESSURE: 2818600 37.0249 84.0202 -289.185 83.9436 222.001 -115.632 -229.766 20.1846 218.288 PRESSAVG: 2818600 30.0534 16.4749 0.0922569 16.475 8.21281 37.9804 0.0922453 37.9804 -28.6565 GPRESSAVG: 2818600 29.9571 16.9552 0.763454 14.6265 8.06723 38.6455 -2.08635 37.7682 -29.049 TIMING: 2818600 CPU: 8974.04, 0.00312144/step Wall: 8974.04, 0.00312144/step, 1.89142 hours remaining, 239.894531 MB of memory in use. ENERGY: 2818600 3990.4508 20493.9377 14457.7353 236.3336 -203244.8568 2705.9148 0.0000 0.0000 51935.0839 -109425.4006 298.4716 -161360.4845 -109072.3370 299.0699 133.7126 159.1047 761738.0566 3.2032 2.9918 PRESSURE: 2818800 203.296 -65.3942 -76.1815 -65.3945 -372.225 142.166 -76.1808 142.166 331.837 GPRESSURE: 2818800 292.862 -7.12934 -40.3348 -35.6037 -324.445 148.148 44.5474 117.466 292.898 PRESSAVG: 2818800 -15.2699 -0.573928 19.8856 -0.573886 -24.0332 51.8675 19.8856 51.8675 19.5167 GPRESSAVG: 2818800 -15.4775 -0.531724 19.1864 1.2668 -23.6772 51.6377 23.146 50.692 19.7806 TIMING: 2818800 CPU: 8974.67, 0.00312702/step Wall: 8974.67, 0.00312702/step, 1.89463 hours remaining, 239.894531 MB of memory in use. ENERGY: 2818800 3946.2784 20506.5593 14496.2907 242.0424 -203406.7675 2676.3533 0.0000 0.0000 51995.9994 -109543.2439 298.8217 -161539.2433 -109186.4176 299.1704 54.3025 87.1050 759625.8600 -6.5955 -6.4580 PRESSURE: 2819000 33.4592 -203.873 -279.407 -203.874 -56.8719 -9.51256 -279.406 -9.51117 0.714193 GPRESSURE: 2819000 39.4747 -171.941 -218.012 -87.6272 -13.2068 99.2467 -317.598 -10.655 38.4669 PRESSAVG: 2819000 2.21725 -22.1436 -4.10188 -22.1435 14.8275 42.4982 -4.10189 42.4982 -21.5431 GPRESSAVG: 2819000 2.42181 -21.665 -3.46967 -22.7389 14.2721 43.1539 -6.11234 42.8759 -21.317 TIMING: 2819000 CPU: 8975.29, 0.0031224/step Wall: 8975.29, 0.0031224/step, 1.89165 hours remaining, 239.894531 MB of memory in use. ENERGY: 2819000 3926.3454 20511.5468 14470.5430 257.7426 -203626.2420 2725.5799 0.0000 0.0000 52208.7742 -109525.7101 300.0445 -161734.4843 -109168.1842 298.7652 -7.5662 21.5783 760192.1940 -1.4994 -1.5410 PRESSURE: 2819200 -33.9393 -84.6394 -124.824 -84.6397 138.466 -14.2426 -124.824 -14.2434 -90.6456 GPRESSURE: 2819200 5.95404 -58.11 -131.061 -19.0874 195.7 63.7248 -48.399 -146.592 -102.464 PRESSAVG: 2819200 -50.0928 -13.4655 -11.174 -13.4655 34.792 3.63405 -11.1741 3.63403 -11.1069 GPRESSAVG: 2819200 -50.0815 -13.5616 -11.2913 -13.1125 34.6511 2.55225 -10.1735 5.84664 -11.0253 TIMING: 2819200 CPU: 8975.92, 0.0031285/step Wall: 8975.92, 0.0031285/step, 1.89517 hours remaining, 239.894531 MB of memory in use. ENERGY: 2819200 3982.5367 20476.8955 14387.5153 240.1664 -202815.2085 2527.9497 0.0000 0.0000 52049.3820 -109150.7630 299.1285 -161200.1450 -108791.0016 299.7238 4.6270 33.0634 762016.4046 -8.8026 -8.8186 PRESSURE: 2819400 114.403 -94.3343 80.3998 -94.3342 -149.139 30.7057 80.3993 30.7054 16.5979 GPRESSURE: 2819400 144.361 37.8749 143.139 3.30659 -85.5204 66.9873 38.668 -30.7025 -8.99952 PRESSAVG: 2819400 12.8942 -10.2476 24.2655 -10.2477 -9.29889 -1.22354 24.2655 -1.22361 -9.00711 GPRESSAVG: 2819400 12.8925 -8.30962 25.9886 -10.8428 -9.39754 -0.957378 22.2428 -3.03253 -9.17839 TIMING: 2819400 CPU: 8976.54, 0.00312692/step Wall: 8976.54, 0.00312692/step, 1.89405 hours remaining, 239.894531 MB of memory in use. ENERGY: 2819400 4015.2984 20564.9751 14403.7708 250.5467 -202938.2089 2292.8075 0.0000 0.0000 52234.0921 -109176.7182 300.1900 -161410.8104 -108811.4777 299.7225 -6.0463 16.6135 762216.4910 -1.8039 -1.8945 PRESSURE: 2819600 -16.1853 36.0041 -82.988 36.0035 -195.344 98.6829 -82.9887 98.6843 -279.04 GPRESSURE: 2819600 39.91 10.9992 -169.768 -62.5721 -156.091 66.2428 -74.2102 169.08 -298.373 PRESSAVG: 2819600 52.8662 -27.7762 67.2422 -27.7762 -53.2189 27.4049 67.2423 27.405 -9.47098 GPRESSAVG: 2819600 52.9512 -29.1762 65.9476 -26.2149 -53.187 27.1908 68.4701 26.8963 -9.70176 TIMING: 2819600 CPU: 8977.17, 0.00311141/step Wall: 8977.17, 0.00311141/step, 1.88448 hours remaining, 239.894531 MB of memory in use. ENERGY: 2819600 4055.2717 20519.3758 14409.2831 244.8248 -203250.9773 2316.3747 0.0000 0.0000 52264.8721 -109440.9752 300.3669 -161705.8473 -109071.5931 299.8755 -163.5230 -138.1847 761490.3133 -3.2746 -3.3125 PRESSURE: 2819800 -165.246 27.9035 -111.253 27.9041 -158.486 245.376 -111.253 245.376 90.1165 GPRESSURE: 2819800 -108.863 -24.2461 -123.941 -40.007 -156.441 214.817 -39.993 211.361 117.907 PRESSAVG: 2819800 62.8443 10.3556 4.80685 10.3557 -62.966 12.6016 4.80682 12.6016 3.29205 GPRESSAVG: 2819800 63.4705 10.186 4.25536 9.97889 -63.4108 12.6772 5.65613 13.7656 3.0491 TIMING: 2819800 CPU: 8977.79, 0.00314117/step Wall: 8977.79, 0.00314117/step, 1.90232 hours remaining, 239.894531 MB of memory in use. ENERGY: 2819800 4062.4768 20598.9674 14460.3453 256.0566 -203125.3069 2493.9310 0.0000 0.0000 51775.6193 -109477.9105 297.5552 -161253.5298 -109119.1300 298.9488 -77.8718 -49.1321 762165.6486 1.0568 1.0363 PRESSURE: 2820000 11.8616 64.8188 100.606 64.8193 -64.1509 99.2485 100.607 99.2487 -250.996 GPRESSURE: 2820000 -27.1072 -7.94677 61.863 27.0835 138.946 65.1973 65.5291 17.1338 -323.915 PRESSAVG: 2820000 17.1323 12.8792 -68.4177 12.8792 1.72509 -6.79054 -68.4177 -6.79048 -27.4325 GPRESSAVG: 2820000 16.4131 12.6299 -67.4002 11.8134 2.32548 -7.57035 -67.9855 -7.89045 -27.5002 TIMING: 2820000 CPU: 8978.42, 0.00312351/step Wall: 8978.42, 0.00312351/step, 1.89146 hours remaining, 239.894531 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: 2820000 4021.5495 20484.7058 14475.1878 251.0229 -203022.5980 2349.0754 0.0000 0.0000 52202.0692 -109238.9873 300.0060 -161441.0565 -108881.1942 299.4763 -101.0952 -70.6920 762687.2011 -2.8584 -2.9205 PRESSURE: 2820200 -36.6597 -132.579 43.7951 -132.579 -126.276 -71.2607 43.7951 -71.2604 243.314 GPRESSURE: 2820200 -42.693 -52.9359 35.8716 -39.4329 -14.3322 -24.337 76.7426 -149.42 198.967 PRESSAVG: 2820200 3.29987 18.5496 18.971 18.5496 -18.1187 7.92537 18.971 7.92534 -1.75211 GPRESSAVG: 2820200 3.5747 18.2423 20.1238 18.7272 -17.9012 7.69701 17.6391 9.83711 -2.348 TIMING: 2820200 CPU: 8979.04, 0.00311879/step Wall: 8979.04, 0.00311879/step, 1.88843 hours remaining, 239.894531 MB of memory in use. ENERGY: 2820200 4052.5452 20619.1886 14484.2581 269.3705 -203337.4773 2538.2563 0.0000 0.0000 52287.7888 -109086.0697 300.4986 -161373.8585 -108714.6981 299.6683 26.7927 47.3140 761925.3901 -5.5236 -5.5582 LDB: ============= START OF LOAD BALANCING ============== 8991.49 LDB: ============== END OF LOAD BALANCING =============== 8991.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8991.49 LDB: ============= START OF LOAD BALANCING ============== 8991.81 LDB: Largest compute 7031 load 0.033445 is 17.1% of average load 0.195330 LDB: Average compute 0.004359 is 2.2% of average load 0.195330 LDB: TIME 8991.81 LOAD: AVG 0.19533 MAX 0.215033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.98 MB LDB: TIME 8991.81 LOAD: AVG 0.19533 MAX 0.215033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.145 MB LDB: TIME 8991.81 LOAD: AVG 0.19533 MAX 0.215033 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.145 MB LDB: ============== END OF LOAD BALANCING =============== 8991.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8991.82 PRESSURE: 2820400 -98.1235 35.0507 57.3529 35.0506 -67.0474 46.5343 57.3525 46.5331 101.129 GPRESSURE: 2820400 -41.6424 109.087 3.64181 77.5339 -81.2959 32.1999 7.20978 4.78773 130.12 PRESSAVG: 2820400 41.1764 22.4717 -16.9486 22.4717 -15.3052 -19.9162 -16.9486 -19.9163 -2.3986 GPRESSAVG: 2820400 40.5348 22.7971 -17.6514 22.9005 -15.3532 -19.1634 -15.4335 -19.3077 -1.97833 TIMING: 2820400 CPU: 8979.68, 0.00318399/step Wall: 8979.68, 0.00318399/step, 1.92773 hours remaining, 241.687500 MB of memory in use. ENERGY: 2820400 3963.5450 20516.2489 14468.1656 235.7569 -203245.8578 2713.7569 0.0000 0.0000 52131.9057 -109216.4789 299.6028 -161348.3845 -108847.6746 299.5264 -21.3474 2.3940 762209.2228 7.8242 7.7344 PRESSURE: 2820600 100.269 -212.26 -174.68 -212.26 -142.216 33.4342 -174.679 33.4344 -392.019 GPRESSURE: 2820600 132.539 -222.506 -129.769 -128.919 -77.8255 143.244 -102.994 -225.853 -403.477 PRESSAVG: 2820600 25.8588 -13.7709 -9.16415 -13.7709 18.6871 -8.0555 -9.16418 -8.05554 5.8779 GPRESSAVG: 2820600 26.6462 -13.084 -10.553 -13.787 17.5626 -8.91007 -9.55937 -9.39809 7.07773 TIMING: 2820600 CPU: 8980.3, 0.00312408/step Wall: 8980.3, 0.00312408/step, 1.89129 hours remaining, 241.687500 MB of memory in use. ENERGY: 2820600 3964.8145 20490.2408 14421.5121 242.2933 -202852.7013 2334.3678 0.0000 0.0000 52089.6807 -109309.7920 299.3601 -161399.4727 -108944.2458 299.4815 -144.6553 -116.2547 761642.2204 16.8079 17.0955 PRESSURE: 2820800 -243.41 112.275 -85.0345 112.275 252.32 -35.573 -85.0346 -35.5727 -367.192 GPRESSURE: 2820800 -106.212 17.6433 -90.2657 93.3776 85.9379 44.4407 54.583 -132.392 -240.056 PRESSAVG: 2820800 41.313 -8.99475 -33.9083 -8.99478 -39.9831 54.2613 -33.9082 54.2613 -6.75682 GPRESSAVG: 2820800 41.0293 -7.80601 -32.9657 -10.964 -39.0427 54.0668 -34.6045 52.8395 -7.46264 TIMING: 2820800 CPU: 8980.93, 0.00310512/step Wall: 8980.93, 0.00310512/step, 1.87964 hours remaining, 241.687500 MB of memory in use. ENERGY: 2820800 4033.8972 20428.1272 14435.8673 236.0728 -203041.1494 2447.1436 0.0000 0.0000 52212.9048 -109247.1365 300.0683 -161460.0414 -108886.1641 299.4469 -119.4270 -86.7766 761937.9209 -1.8090 -1.8254 PRESSURE: 2821000 -26.6611 -120.074 -72.6529 -120.075 4.40372 -31.8654 -72.6528 -31.8655 443.672 GPRESSURE: 2821000 56.0068 -72.3055 -125.435 71.2559 -27.1543 -11.9306 4.64617 9.60374 490.107 PRESSAVG: 2821000 -32.1228 12.4725 -0.225601 12.4725 32.7589 -15.6859 -0.225603 -15.6859 -13.8789 GPRESSAVG: 2821000 -31.8234 10.8181 -1.96687 14.9334 31.9031 -15.8505 3.09098 -15.4126 -13.0612 TIMING: 2821000 CPU: 8981.55, 0.00311185/step Wall: 8981.55, 0.00311185/step, 1.88353 hours remaining, 241.687500 MB of memory in use. ENERGY: 2821000 4028.9783 20485.7757 14453.7105 262.8577 -203458.9872 2762.7503 0.0000 0.0000 51913.4969 -109551.4178 298.3476 -161464.9147 -109179.0565 299.2566 140.4715 172.9866 761392.9276 -4.4142 -4.3271 PRESSURE: 2821200 108.468 -159.878 119.74 -159.879 79.3961 -141.513 119.74 -141.511 127.593 GPRESSURE: 2821200 201.527 -231.03 90.447 -179.401 -27.7087 -161.981 53.8884 -116.221 237.558 PRESSAVG: 2821200 84.4869 47.4372 17.4633 47.4372 -75.2669 -63.8688 17.4633 -63.8689 15.905 GPRESSAVG: 2821200 84.1011 47.307 19.3041 44.7983 -74.8108 -62.3755 15.3947 -62.3011 15.1813 TIMING: 2821200 CPU: 8982.17, 0.00311632/step Wall: 8982.17, 0.00311632/step, 1.88606 hours remaining, 241.687500 MB of memory in use. ENERGY: 2821200 3966.4112 20596.8531 14468.1925 247.3045 -203591.1537 2870.4857 0.0000 0.0000 51996.4409 -109445.4657 298.8243 -161441.9066 -109095.4706 299.3805 105.1522 137.1255 762684.9601 8.3750 8.1572 PRESSURE: 2821400 55.6749 203.562 -153.985 203.561 -296.259 182.383 -153.986 182.383 -63.1884 GPRESSURE: 2821400 93.3034 91.2196 -171.816 142.532 -272.616 11.4909 -150.99 201.635 -47.6666 PRESSAVG: 2821400 23.1021 0.577879 4.7036 0.577871 -20.0759 15.3048 4.7036 15.3048 -20.238 GPRESSAVG: 2821400 22.0322 1.80312 4.71656 2.2037 -19.2609 13.9918 4.53709 12.8211 -20.4535 TIMING: 2821400 CPU: 8982.79, 0.00310484/step Wall: 8982.79, 0.00310484/step, 1.87894 hours remaining, 241.687500 MB of memory in use. ENERGY: 2821400 4017.3327 20496.6793 14517.4710 229.7994 -203282.0057 2463.7763 0.0000 0.0000 52072.6091 -109484.3379 299.2620 -161556.9470 -109129.8819 299.5102 -101.2574 -75.6596 761289.6171 -5.7373 -5.8940 PRESSURE: 2821600 -275.043 0.377302 -66.8348 0.377358 -132.536 -254.735 -66.8348 -254.736 -550.998 GPRESSURE: 2821600 -272.201 115.255 -39.7198 -68.685 -82.4087 -251.345 -105.667 -159.981 -501.642 PRESSAVG: 2821600 -7.42872 1.19857 0.404272 1.19862 -28.1609 55.682 0.404276 55.682 -7.38613 GPRESSAVG: 2821600 -7.28409 -0.129959 -0.178345 1.56196 -28.3141 55.9139 0.935712 59.0261 -8.44544 TIMING: 2821600 CPU: 8983.42, 0.00311327/step Wall: 8983.42, 0.00311327/step, 1.88387 hours remaining, 241.687500 MB of memory in use. ENERGY: 2821600 3986.5650 20671.2816 14493.6255 262.1556 -203203.0250 2417.4038 0.0000 0.0000 51998.7973 -109373.1962 298.8378 -161371.9934 -109012.8357 299.6216 -319.5257 -285.4173 764772.6490 -14.3253 -14.6812 PRESSURE: 2821800 136.935 -209.886 -97.3109 -209.887 101.776 17.5147 -97.3105 17.5153 58.7507 GPRESSURE: 2821800 176.68 9.95681 -146.837 -295.801 56.1524 -71.1453 -141.172 9.00486 146.429 PRESSAVG: 2821800 -24.7464 -5.72517 -50.5949 -5.72514 7.02171 -0.270316 -50.5948 -0.270305 -11.7569 GPRESSAVG: 2821800 -24.1303 -4.84146 -51.4262 -6.55195 6.16356 -0.148041 -50.5373 -1.22259 -10.9419 TIMING: 2821800 CPU: 8984.04, 0.00311104/step Wall: 8984.04, 0.00311104/step, 1.88235 hours remaining, 241.687500 MB of memory in use. ENERGY: 2821800 3972.0264 20535.3952 14474.7557 239.6431 -203308.2538 2770.2037 0.0000 0.0000 52035.2014 -109281.0283 299.0470 -161316.2297 -108913.4492 299.5904 99.1539 126.4204 762634.9174 -9.8272 -9.6362 PRESSURE: 2822000 386.735 87.4351 116.987 87.4349 143.372 -63.2876 116.987 -63.2875 113.111 GPRESSURE: 2822000 370.428 80.0295 82.5757 98.4606 152.465 -149.178 26.2064 24.6745 201.95 PRESSAVG: 2822000 19.4791 -10.9399 -36.8252 -10.94 -33.7114 33.1208 -36.8252 33.1208 -3.04093 GPRESSAVG: 2822000 18.7947 -11.0439 -37.287 -9.05212 -33.6375 32.3289 -39.3702 31.9984 -2.87135 TIMING: 2822000 CPU: 8984.66, 0.00310458/step Wall: 8984.66, 0.00310459/step, 1.87827 hours remaining, 241.687500 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: 2822000 3945.6028 20705.9345 14530.2187 243.9685 -203627.6381 2845.5253 0.0000 0.0000 52198.5953 -109157.7928 299.9860 -161356.3881 -108792.8084 299.6324 214.4060 241.6145 761641.5175 -5.7578 -5.9047 PRESSURE: 2822200 223.357 -247.022 -208 -247.022 -10.2512 22.7655 -208.001 22.7653 57.7453 GPRESSURE: 2822200 137.329 -240.319 -114.535 -255.116 143.106 6.18074 -125.557 35.3622 86.9091 PRESSAVG: 2822200 34.3846 -2.72629 -46.2162 -2.72626 -24.3447 36.1534 -46.2162 36.1533 -6.91089 GPRESSAVG: 2822200 34.3105 -2.92641 -44.5297 -2.38537 -23.3663 37.2216 -43.5434 36.9797 -7.20692 TIMING: 2822200 CPU: 8985.28, 0.00311169/step Wall: 8985.28, 0.00311169/step, 1.8824 hours remaining, 241.687500 MB of memory in use. ENERGY: 2822200 3996.0835 20612.9297 14528.5868 261.1884 -203435.2958 2582.1657 0.0000 0.0000 52096.4709 -109357.8709 299.3991 -161454.3418 -109000.3989 299.7710 90.2837 122.4481 760816.0299 1.0430 1.2457 PRESSURE: 2822400 -127.686 -38.6051 -84.2113 -38.6051 -235.767 4.7698 -84.2115 4.76981 -119.916 GPRESSURE: 2822400 -79.371 56.1655 -94.3947 -154.624 -204.733 52.1588 -44.8134 -31.2037 -104.82 PRESSAVG: 2822400 54.3776 -45.1566 16.0666 -45.1566 -57.7002 0.974373 16.0665 0.974433 -9.31303 GPRESSAVG: 2822400 55.791 -45.2146 16.504 -47.4972 -58.1264 1.67697 14.028 1.38425 -9.64811 TIMING: 2822400 CPU: 8985.9, 0.00309418/step Wall: 8985.9, 0.00309418/step, 1.87163 hours remaining, 241.687500 MB of memory in use. ENERGY: 2822400 3980.6999 20507.1372 14478.7507 246.6118 -203652.9237 2824.2997 0.0000 0.0000 52392.8017 -109222.6228 301.1022 -161615.4246 -108858.8568 299.8907 -161.1231 -129.6411 763677.2963 -4.2119 -3.9945 PRESSURE: 2822600 301.51 -199.939 75.455 -199.939 -257.292 185.079 75.454 185.077 -267.124 GPRESSURE: 2822600 212.717 -87.0972 89.7546 -214.708 -136.933 279.784 43.5389 126.314 -222.897 PRESSAVG: 2822600 46.0281 -42.7328 -51.8018 -42.7329 22.0734 27.208 -51.8018 27.208 0.238115 GPRESSAVG: 2822600 45.6586 -42.3665 -51.5138 -41.2563 22.7603 24.8329 -49.8602 27.3029 -0.00198527 TIMING: 2822600 CPU: 8986.53, 0.00314302/step Wall: 8986.53, 0.00314302/step, 1.901 hours remaining, 241.687500 MB of memory in use. ENERGY: 2822600 4001.1301 20561.0710 14504.3678 248.0652 -203139.9752 2461.4513 0.0000 0.0000 52077.0279 -109286.8619 299.2874 -161363.8898 -108921.1703 299.6573 -74.3018 -49.0374 763168.5411 22.7798 22.8056 PRESSURE: 2822800 -153.253 106.508 -2.0817 106.507 -176.623 51.4892 -2.08257 51.4889 83.6566 GPRESSURE: 2822800 -120.598 59.1116 6.6925 17.0656 -112.631 -29.9829 -87.6659 84.7026 75.3213 PRESSAVG: 2822800 -31.7578 21.7214 -14.9891 21.7214 2.6636 26.9807 -14.9891 26.9807 -5.77099 GPRESSAVG: 2822800 -33.1708 20.753 -15.2182 22.031 3.09779 26.8697 -14.8526 26.8526 -5.0065 TIMING: 2822800 CPU: 8987.15, 0.00313317/step Wall: 8987.15, 0.00313317/step, 1.89487 hours remaining, 241.687500 MB of memory in use. ENERGY: 2822800 3951.6496 20587.3883 14486.2777 242.2667 -202946.5128 2432.7696 0.0000 0.0000 51974.3124 -109271.8484 298.6971 -161246.1608 -108905.9338 299.8757 -82.0732 -52.6359 762236.4627 -11.6217 -11.6932 PRESSURE: 2823000 100.161 159.61 96.4878 159.611 76.6893 -110.506 96.4875 -110.505 431.144 GPRESSURE: 2823000 144.529 246.533 31.8732 121.705 110.792 -41.1674 -115.214 72.211 447.794 PRESSAVG: 2823000 10.2538 -3.76157 -22.5127 -3.76158 -7.70343 48.3867 -22.5127 48.3867 -0.627449 GPRESSAVG: 2823000 12.0066 -4.28079 -24.7162 -5.72964 -9.34919 50.6183 -24.3801 48.4347 -0.958425 TIMING: 2823000 CPU: 8987.78, 0.0031221/step Wall: 8987.78, 0.0031221/step, 1.888 hours remaining, 241.687500 MB of memory in use. ENERGY: 2823000 3887.0289 20480.5966 14547.2563 242.8701 -203242.6153 2512.4687 0.0000 0.0000 52128.7505 -109443.6442 299.5846 -161572.3947 -109077.4183 299.7776 202.6648 234.3716 761091.8437 0.6410 0.5663 PRESSURE: 2823200 -61.7741 35.2681 -157.46 35.2675 -160.578 145.578 -157.46 145.578 -133.75 GPRESSURE: 2823200 -12.3038 54.1712 -56.4229 92.237 -80.8606 124.541 -140.164 62.4829 -187.407 PRESSAVG: 2823200 8.04941 7.0551 -25.8033 7.05511 16.4477 40.9702 -25.8033 40.9702 4.90704 GPRESSAVG: 2823200 7.78307 8.29689 -24.0634 9.17443 17.418 38.6416 -25.768 38.5035 4.64582 TIMING: 2823200 CPU: 8988.4, 0.00311684/step Wall: 8988.4, 0.00311684/step, 1.88465 hours remaining, 241.687500 MB of memory in use. ENERGY: 2823200 3965.9104 20397.4698 14370.7145 263.6527 -203123.8664 2398.5312 0.0000 0.0000 52199.2766 -109528.3112 299.9900 -161727.5878 -109164.2616 299.2045 -118.7008 -93.5237 762706.7829 9.8014 9.9490 PRESSURE: 2823400 -234.434 58.724 7.32749 58.7244 -111.355 -220.325 7.3272 -220.324 25.9058 GPRESSURE: 2823400 -120.636 14.5857 54.0181 -19.6043 -57.4414 -142.555 -94.7702 -200.879 -51.3844 PRESSAVG: 2823400 45.0316 12.0433 -49.6328 12.0433 18.6226 -51.5324 -49.6328 -51.5324 23.3414 GPRESSAVG: 2823400 45.0073 11.5523 -50.8984 10.6661 18.2475 -50.4962 -49.1208 -49.122 23.5599 TIMING: 2823400 CPU: 8989.03, 0.00312385/step Wall: 8989.03, 0.00312384/step, 1.88871 hours remaining, 241.687500 MB of memory in use. ENERGY: 2823400 3934.5062 20397.7173 14483.1256 239.2269 -203464.7418 2526.7947 0.0000 0.0000 52212.2932 -109671.0779 300.0648 -161883.3711 -109308.3218 299.2704 -106.6276 -76.4871 760935.7186 28.9985 28.9382 PRESSURE: 2823600 -151.58 31.675 219.847 31.6748 -59.5791 -76.9381 219.846 -76.938 -146.876 GPRESSURE: 2823600 -125.342 41.2281 217.673 -8.09666 -5.06638 -89.4504 286.747 -189.295 -141.328 PRESSAVG: 2823600 -13.6413 49.6129 -63.2944 49.6129 -4.07544 3.85204 -63.2944 3.85207 5.63651 GPRESSAVG: 2823600 -14.8529 49.6976 -62.8689 50.7319 -3.54467 2.95852 -60.0751 3.20282 5.76655 TIMING: 2823600 CPU: 8989.65, 0.00313788/step Wall: 8989.65, 0.00313788/step, 1.89702 hours remaining, 241.687500 MB of memory in use. ENERGY: 2823600 4034.2835 20543.1419 14462.1192 256.1602 -203039.8214 2387.5767 0.0000 0.0000 51684.3458 -109672.1942 297.0306 -161356.5400 -109312.8989 298.7615 -119.3452 -90.5787 763824.4577 -4.0267 -4.2104 PRESSURE: 2823800 -322.78 -98.5707 105.601 -98.5699 -459.709 -0.438527 105.601 -0.437494 -346.258 GPRESSURE: 2823800 -260.188 -124.439 106.903 -110.499 -470.986 99.1984 99.7489 66.3761 -324.297 PRESSAVG: 2823800 -21.4191 7.85139 44.7822 7.85135 10.3383 -6.82668 44.7822 -6.82662 6.78458 GPRESSAVG: 2823800 -20.6729 9.70919 46.0007 3.78597 9.73379 -5.838 42.7289 -7.82679 6.12205 TIMING: 2823800 CPU: 8990.28, 0.00312681/step Wall: 8990.28, 0.00312681/step, 1.89016 hours remaining, 241.687500 MB of memory in use. ENERGY: 2823800 4049.7639 20554.1906 14419.2425 237.8270 -203637.2010 2469.1911 0.0000 0.0000 52200.8763 -109706.1095 299.9992 -161906.9859 -109350.4890 298.8466 -376.2492 -351.8240 761531.1083 -1.4321 -1.6057 PRESSURE: 2824000 -26.9328 6.91488 71.7404 6.91472 16.4572 -176.38 71.7394 -176.381 57.845 GPRESSURE: 2824000 -36.5653 82.382 17.3505 16.1021 70.2614 -152.225 44.6499 -160.639 108.905 PRESSAVG: 2824000 49.0962 -9.14197 0.507995 -9.14197 -17.4288 -7.31926 0.508044 -7.31928 17.0246 GPRESSAVG: 2824000 49.2221 -11.7632 0.708429 -5.7022 -17.4715 -6.69428 -0.56153 -6.82626 17.6408 TIMING: 2824000 CPU: 8990.91, 0.00314334/step Wall: 8990.91, 0.00314334/step, 1.89997 hours remaining, 241.687500 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: 2824000 3991.9307 20576.1552 14464.7580 220.1712 -203290.0493 2644.5077 0.0000 0.0000 51925.9828 -109466.5437 298.4193 -161392.5265 -109103.3693 299.0794 15.7898 47.5338 762474.2097 16.2306 16.4638 PRESSURE: 2824200 -139.196 57.7574 68.221 57.758 -91.3938 15.4321 68.2211 15.4316 3.60859 GPRESSURE: 2824200 -130.456 -20.1682 116.225 85.0782 -160.761 72.9317 69.8003 20.4163 121.117 PRESSAVG: 2824200 0.272062 -12.5066 -18.2825 -12.5066 -17.185 37.2452 -18.2825 37.2451 -11.1267 GPRESSAVG: 2824200 0.650253 -12.8153 -17.2681 -13.4375 -17.6714 37.0287 -18.1618 37.796 -11.6413 TIMING: 2824200 CPU: 8991.54, 0.00314297/step Wall: 8991.54, 0.00314297/step, 1.89958 hours remaining, 241.687500 MB of memory in use. ENERGY: 2824200 4030.6510 20540.6956 14436.7199 248.3517 -203572.5527 2545.2479 0.0000 0.0000 52139.7328 -109631.1537 299.6478 -161770.8865 -109273.3680 299.0685 -75.6604 -56.7000 762671.4426 -9.3465 -9.5541 LDB: ============= START OF LOAD BALANCING ============== 9003.99 LDB: ============== END OF LOAD BALANCING =============== 9003.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9003.99 LDB: ============= START OF LOAD BALANCING ============== 9004.31 LDB: Largest compute 7071 load 0.033740 is 17.3% of average load 0.195353 LDB: Average compute 0.004371 is 2.2% of average load 0.195353 LDB: TIME 9004.31 LOAD: AVG 0.195353 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.469 MB LDB: TIME 9004.31 LOAD: AVG 0.195353 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.562 MB LDB: TIME 9004.31 LOAD: AVG 0.195353 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.562 MB LDB: ============== END OF LOAD BALANCING =============== 9004.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9004.32 PRESSURE: 2824400 145.904 95.9559 86.8772 95.9558 -14.897 136.362 86.8778 136.361 123.887 GPRESSURE: 2824400 242.638 120.003 65.0243 0.765627 -40.7046 269.522 110.658 165.6 145.558 PRESSAVG: 2824400 -40.9547 -22.6937 -29.0236 -22.6937 39.0405 6.68453 -29.0236 6.68455 4.60904 GPRESSAVG: 2824400 -41.928 -23.5186 -30.6614 -22.2843 39.6528 6.0315 -30.239 5.86556 5.267 TIMING: 2824400 CPU: 8992.18, 0.00322058/step Wall: 8992.18, 0.00322058/step, 1.9463 hours remaining, 240.664062 MB of memory in use. ENERGY: 2824400 3957.5690 20619.8759 14480.3529 256.4889 -203521.6385 2484.7363 0.0000 0.0000 52204.2734 -109518.3420 300.0187 -161722.6154 -109146.4396 298.7039 84.9648 115.8304 761751.4877 0.8983 0.9973 PRESSURE: 2824600 21.2608 -71.9336 -43.5329 -71.934 -285.983 10.55 -43.5326 10.5487 -39.9838 GPRESSURE: 2824600 -5.80446 -45.2239 63.315 12.3422 -195.989 -49.0754 -72.5597 -90.5612 -20.4541 PRESSAVG: 2824600 113.398 14.2033 -13.8171 14.2033 -44.1328 -3.97174 -13.8171 -3.9717 -2.65337 GPRESSAVG: 2824600 113.668 14.7596 -14.1815 14.0283 -43.795 -4.80024 -11.1167 -2.53747 -3.02521 TIMING: 2824600 CPU: 8992.81, 0.00312454/step Wall: 8992.81, 0.00312454/step, 1.88809 hours remaining, 240.867188 MB of memory in use. ENERGY: 2824600 4043.4863 20474.0904 14436.1101 247.8543 -203940.4176 2632.9393 0.0000 0.0000 52269.7720 -109836.1652 300.3951 -162105.9372 -109469.5480 298.7819 -101.5686 -74.0824 759616.2395 22.2040 22.2825 PRESSURE: 2824800 -173.663 -181.312 -229.836 -181.312 -160.438 72.6994 -229.837 72.6982 -166.376 GPRESSURE: 2824800 -117.633 -108.479 -185.728 -251.729 -95.7827 130.611 -222.876 46.3884 -202.937 PRESSAVG: 2824800 -35.6607 6.60443 -54.5028 6.60444 15.0306 -6.65101 -54.5028 -6.65096 17.1381 GPRESSAVG: 2824800 -36.0508 7.61588 -52.4632 7.82742 15.1493 -5.77902 -57.1228 -8.85617 17.2926 TIMING: 2824800 CPU: 8993.44, 0.00314486/step Wall: 8993.44, 0.00314486/step, 1.9002 hours remaining, 240.867188 MB of memory in use. ENERGY: 2824800 3969.2488 20477.4307 14461.0262 244.7015 -203286.0651 2433.3473 0.0000 0.0000 51941.0190 -109759.2918 298.5057 -161700.3107 -109397.5361 298.3293 -166.8258 -138.7841 761162.9212 -1.1640 -1.2030 PRESSURE: 2825000 201.319 169.761 303.873 169.762 143.494 -267.875 303.874 -267.875 -230.824 GPRESSURE: 2825000 249.092 180.767 255.039 176.709 219.279 -250.907 274.182 -139.358 -272.38 PRESSAVG: 2825000 -18.0159 4.5621 -13.6723 4.56209 25.8025 1.90735 -13.6723 1.90737 30.2326 GPRESSAVG: 2825000 -15.8792 4.7892 -15.6184 3.8862 24.99 0.938175 -11.576 2.59348 28.83 TIMING: 2825000 CPU: 8994.06, 0.00313731/step Wall: 8994.06, 0.00313731/step, 1.89546 hours remaining, 240.867188 MB of memory in use. ENERGY: 2825000 4102.0173 20419.8355 14403.5569 232.4528 -204034.9430 2836.1753 0.0000 0.0000 52375.7744 -109665.1309 301.0043 -162040.9053 -109299.3061 298.8246 37.9961 65.3305 760229.0790 12.6731 12.6469 PRESSURE: 2825200 -49.6699 72.0455 34.1439 72.0443 31.9163 -18.4294 34.1441 -18.4287 -73.6662 GPRESSURE: 2825200 -34.3871 109.939 69.9692 40.0312 58.8185 9.88224 133.363 64.7457 -18.6888 PRESSAVG: 2825200 16.1328 2.93943 -3.74917 2.93944 0.210645 -18.311 -3.74923 -18.3111 -5.46662 GPRESSAVG: 2825200 14.3024 1.52054 -2.88662 4.49071 1.67339 -18.8613 -4.03452 -17.032 -5.11092 TIMING: 2825200 CPU: 8994.69, 0.00312004/step Wall: 8994.69, 0.00312004/step, 1.88485 hours remaining, 240.867188 MB of memory in use. ENERGY: 2825200 4012.1259 20434.8147 14535.5531 249.2468 -203795.5574 2587.5038 0.0000 0.0000 52000.3035 -109976.0096 298.8465 -161976.3131 -109606.9126 299.1085 -30.4733 1.9142 760255.1532 3.6256 3.6216 PRESSURE: 2825400 -359.484 -18.9676 -142.437 -18.9676 -222.477 23.0316 -142.437 23.0315 -303.7 GPRESSURE: 2825400 -349.268 5.9272 -160.718 31.7494 -230.615 105.003 -108.116 60.8864 -217.731 PRESSAVG: 2825400 27.5256 -4.60987 13.6239 -4.60988 -20.9772 14.0156 13.6239 14.0156 -16.5731 GPRESSAVG: 2825400 27.2791 -4.25658 13.1981 -6.65062 -21.8551 15.1384 10.9291 15.831 -15.221 TIMING: 2825400 CPU: 8995.31, 0.00311982/step Wall: 8995.31, 0.00311982/step, 1.88455 hours remaining, 240.867188 MB of memory in use. ENERGY: 2825400 4043.8954 20488.5769 14398.4272 225.4036 -203422.1364 2382.7991 0.0000 0.0000 52067.5252 -109815.5090 299.2328 -161883.0342 -109452.6556 298.5199 -295.2205 -265.8711 762513.5951 -3.3415 -3.2657 PRESSURE: 2825600 -297.372 4.54966 138.875 4.54948 92.8533 49.1002 138.875 49.1004 139.08 GPRESSURE: 2825600 -187.18 -126.413 118.297 -68.2831 107.239 -14.0774 50.6612 49.7736 99.299 PRESSAVG: 2825600 -48.3077 -29.3586 26.9265 -29.3586 -28.4506 -6.20312 26.9264 -6.20315 -16.2197 GPRESSAVG: 2825600 -47.9032 -29.302 25.6397 -30.0291 -28.577 -6.45438 29.9817 -9.87842 -16.1402 TIMING: 2825600 CPU: 8995.94, 0.00313633/step Wall: 8995.94, 0.00313633/step, 1.89434 hours remaining, 240.867188 MB of memory in use. ENERGY: 2825600 3988.1208 20530.1325 14473.1627 229.0451 -203611.5454 2735.4390 0.0000 0.0000 52003.5279 -109652.1175 298.8650 -161655.6453 -109291.8929 298.6007 -21.8130 6.4528 763469.7711 -30.9927 -30.8735 PRESSURE: 2825800 -307.321 71.9692 23.596 71.9699 -91.4578 -46.1908 23.596 -46.1922 233.122 GPRESSURE: 2825800 -268.066 81.2521 70.3814 -24.1597 -13.6077 18.4521 -35.3414 -243.335 217.353 PRESSAVG: 2825800 -2.44701 -64.6034 25.278 -64.6034 10.0071 46.0722 25.278 46.0721 18.4071 GPRESSAVG: 2825800 -2.46037 -65.6808 26.9694 -62.5504 11.2495 46.4221 22.5519 46.3954 17.0557 TIMING: 2825800 CPU: 8996.57, 0.00313849/step Wall: 8996.57, 0.00313849/step, 1.89547 hours remaining, 240.867188 MB of memory in use. ENERGY: 2825800 3969.3369 20571.5997 14510.4575 221.6613 -203515.9949 2579.3986 0.0000 0.0000 51928.0702 -109735.4707 298.4313 -161663.5409 -109365.5354 298.8034 -55.2189 -21.4402 761904.0333 8.6557 8.6149 PRESSURE: 2826000 144.476 -174.653 17.7378 -174.654 -18.6251 112.68 17.7378 112.68 164.585 GPRESSURE: 2826000 88.7647 -195.578 105.053 -152.105 60.1434 51.0793 69.7473 166.183 214.179 PRESSAVG: 2826000 5.43591 -90.6965 43.5023 -90.6965 -16.7007 -15.2114 43.5023 -15.2113 16.8454 GPRESSAVG: 2826000 4.25317 -89.0482 42.6422 -92.3686 -16.1624 -15.1997 44.71 -14.5941 17.8166 TIMING: 2826000 CPU: 8997.2, 0.00315393/step Wall: 8997.2, 0.00315393/step, 1.90462 hours remaining, 240.867188 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: 2826000 3922.0004 20494.0276 14479.3674 242.8700 -203822.6948 2808.9915 0.0000 0.0000 51991.8802 -109883.5576 298.7981 -161875.4379 -109517.3000 298.7373 96.8120 121.0290 761693.1810 1.8602 1.9691 PRESSURE: 2826200 102.348 -103.571 -57.6301 -103.572 269.206 -177.733 -57.6304 -177.733 -129.819 GPRESSURE: 2826200 130.149 -71.6011 28.2572 -35.5053 266.378 -240.283 -60.19 -123.017 -86.9801 PRESSAVG: 2826200 -4.93941 -54.7726 -27.8136 -54.7726 16.721 -16.7827 -27.8136 -16.7827 -7.82983 GPRESSAVG: 2826200 -3.68165 -55.6765 -26.7781 -55.6309 16.3483 -18.0156 -27.0594 -16.317 -9.12227 TIMING: 2826200 CPU: 8997.82, 0.00312017/step Wall: 8997.82, 0.00312017/step, 1.88406 hours remaining, 240.867188 MB of memory in use. ENERGY: 2826200 4024.7996 20433.7434 14499.7165 239.8314 -203626.6020 2624.8833 0.0000 0.0000 51760.6989 -110042.9290 297.4694 -161803.6279 -109680.4146 298.0964 80.5783 103.1823 762048.1078 1.3173 1.1815 PRESSURE: 2826400 -169.476 -141.227 -76.1597 -141.227 -123.678 -94.8816 -76.1599 -94.8816 -51.9275 GPRESSURE: 2826400 -50.2742 -176.403 -109.116 -44.2524 -189.242 -123.56 -123.309 -19.5645 -36.6098 PRESSAVG: 2826400 13.3745 -62.6602 -37.8995 -62.6602 32.5011 4.36268 -37.8996 4.36264 15.8066 GPRESSAVG: 2826400 12.5223 -62.2616 -38.4218 -60.7548 33.5693 5.27386 -39.0263 4.6629 15.5055 TIMING: 2826400 CPU: 8998.44, 0.00311021/step Wall: 8998.44, 0.00311021/step, 1.87787 hours remaining, 240.867188 MB of memory in use. ENERGY: 2826400 3972.1964 20405.5642 14485.1761 254.8499 -203620.2482 2576.2466 0.0000 0.0000 51777.3758 -110148.8392 297.5653 -161926.2150 -109793.9808 297.9411 -115.0272 -92.0418 762717.5596 20.5607 20.5324 PRESSURE: 2826600 56.4793 55.7455 -167.274 55.7453 247.801 -32.0844 -167.273 -32.0838 504.133 GPRESSURE: 2826600 106.66 -1.55826 -224.474 177.19 263.965 26.0156 -66.4366 -67.7412 538.577 PRESSAVG: 2826600 -9.61758 -9.28033 -36.0357 -9.28036 29.1658 40.9946 -36.0357 40.9946 -2.82569 GPRESSAVG: 2826600 -8.56006 -7.60863 -37.5727 -10.3819 28.7396 41.0475 -32.6842 41.9466 -2.64775 TIMING: 2826600 CPU: 8999.07, 0.00312155/step Wall: 8999.07, 0.00312155/step, 1.88455 hours remaining, 240.867188 MB of memory in use. ENERGY: 2826600 3951.0341 20476.9558 14512.6789 242.3081 -203691.2290 2697.7027 0.0000 0.0000 51889.7340 -109920.8153 298.2110 -161810.5493 -109562.9478 297.6098 269.4712 303.0674 762166.9718 5.5742 5.8439 PRESSURE: 2826800 286.979 -112.762 -86.4892 -112.761 -227 59.4091 -86.4893 59.4078 -112.123 GPRESSURE: 2826800 299.57 -257.195 -218.318 -24.907 -190.696 -60.8274 -113.686 -31.8006 -51.2145 PRESSAVG: 2826800 33.8369 -48.8765 -18.9539 -48.8764 -20.421 2.9127 -18.9539 2.91263 -12.5885 GPRESSAVG: 2826800 33.4352 -49.5107 -18.076 -49.9611 -20.6002 3.27304 -22.1868 2.3134 -11.7067 TIMING: 2826800 CPU: 8999.69, 0.00312707/step Wall: 8999.69, 0.00312707/step, 1.88771 hours remaining, 240.867188 MB of memory in use. ENERGY: 2826800 4011.3671 20561.1990 14464.6027 248.7610 -203776.0553 2872.2438 0.0000 0.0000 52078.8452 -109539.0364 299.2978 -161617.8817 -109178.5119 298.7577 -17.3811 19.2196 763757.3473 0.2758 0.3761 PRESSURE: 2827000 -520.709 3.24278 -228.353 3.24302 -256.016 27.9762 -228.352 27.9758 240.75 GPRESSURE: 2827000 -432.403 0.239502 -267.708 -76.359 -240.138 60.7796 -179.837 6.25524 215.205 PRESSAVG: 2827000 7.79312 -40.4646 3.48555 -40.4646 -45.2449 -30.8226 3.48548 -30.8226 9.66153 GPRESSAVG: 2827000 7.16421 -42.2918 4.22235 -40.6657 -44.2877 -30.8481 4.76819 -31.8177 9.00074 TIMING: 2827000 CPU: 9000.32, 0.00311903/step Wall: 9000.32, 0.00311903/step, 1.88268 hours remaining, 240.867188 MB of memory in use. ENERGY: 2827000 3993.3927 20567.9027 14488.7676 245.7791 -202935.4260 2335.3185 0.0000 0.0000 51729.3480 -109574.9174 297.2893 -161304.2655 -109217.1907 299.2692 -178.6585 -152.4451 763512.4316 -9.2634 -9.3742 PRESSURE: 2827200 154.044 -109.538 -78.3361 -109.537 -71.3583 7.33691 -78.3362 7.33683 197.274 GPRESSURE: 2827200 182.733 -230.199 -134.379 -178.716 15.5799 71.1774 -60.8698 -82.3466 167.41 PRESSAVG: 2827200 38.569 -14.9082 -18.8147 -14.9082 -49.1808 7.44319 -18.8147 7.44315 -4.27655 GPRESSAVG: 2827200 40.2663 -15.3332 -20.4265 -12.4461 -48.9333 7.31663 -18.6429 7.62687 -6.20428 TIMING: 2827200 CPU: 9000.94, 0.00311198/step Wall: 9000.94, 0.00311198/step, 1.87825 hours remaining, 240.867188 MB of memory in use. ENERGY: 2827200 3899.0190 20429.0233 14486.3832 233.2793 -203223.7486 2511.5537 0.0000 0.0000 52017.5311 -109646.9591 298.9455 -161664.4901 -109285.1731 298.5926 93.3199 121.9077 761830.2095 -4.9628 -4.9571 PRESSURE: 2827400 170.536 -53.0762 -130.871 -53.0768 101.503 -137.136 -130.872 -137.136 294.082 GPRESSURE: 2827400 232.393 -25.8346 -134.962 -60.0663 183.594 -199.504 -153.014 -25.744 229.487 PRESSAVG: 2827400 37.8928 -1.66827 -14.6381 -1.66837 -13.9091 3.0118 -14.6381 3.01185 -3.95721 GPRESSAVG: 2827400 37.5995 -1.64248 -14.0834 -2.71867 -14.9632 2.53885 -14.2251 3.77583 -2.84619 TIMING: 2827400 CPU: 9001.56, 0.00310648/step Wall: 9001.56, 0.00310647/step, 1.87476 hours remaining, 240.867188 MB of memory in use. ENERGY: 2827400 3961.7150 20349.2406 14415.6815 220.1498 -203376.7507 2737.2223 0.0000 0.0000 52111.2238 -109581.5176 299.4839 -161692.7415 -109222.4886 298.8693 188.7072 215.1580 760523.3292 6.6755 6.5967 PRESSURE: 2827600 -101.814 -349.516 83.6476 -349.517 250.482 188.73 83.6473 188.73 -56.2236 GPRESSURE: 2827600 3.41168 -268.609 -8.04601 -272.266 202.397 221.146 138.638 136.006 -30.9208 PRESSAVG: 2827600 17.3951 -41.0534 30.7887 -41.0534 -15.5571 4.33768 30.7888 4.33765 -6.52507 GPRESSAVG: 2827600 18.6308 -40.2244 31.2187 -41.9725 -16.2331 5.08364 29.0686 4.31286 -6.73607 TIMING: 2827600 CPU: 9002.18, 0.0031069/step Wall: 9002.18, 0.0031069/step, 1.87484 hours remaining, 240.867188 MB of memory in use. ENERGY: 2827600 4022.1331 20485.0648 14512.3411 256.6270 -203644.2878 2794.2038 0.0000 0.0000 52144.8884 -109429.0296 299.6774 -161573.9180 -109070.9725 299.7094 30.8146 58.2961 761062.4591 -1.5624 -1.4461 PRESSURE: 2827800 165.324 115.677 -139.07 115.676 51.616 121.004 -139.068 121.004 51.3827 GPRESSURE: 2827800 274.972 154.686 -93.797 114.087 22.7198 116.076 -210.217 218.68 68.5069 PRESSAVG: 2827800 12.6287 -16.1637 0.300777 -16.1636 9.44658 34.6713 0.300792 34.6713 -3.42272 GPRESSAVG: 2827800 11.4288 -16.4833 1.49089 -16.9291 9.45756 32.8516 -0.0646303 35.4222 -1.93506 TIMING: 2827800 CPU: 9002.81, 0.00311909/step Wall: 9002.81, 0.00311909/step, 1.88202 hours remaining, 240.867188 MB of memory in use. ENERGY: 2827800 3910.9217 20586.3702 14528.7411 239.0101 -203892.9951 2853.9806 0.0000 0.0000 52204.9179 -109569.0536 300.0224 -161773.9715 -109208.2234 299.6036 89.4409 122.0664 761396.9203 6.2175 6.3171 PRESSURE: 2828000 -392.422 95.6809 -150.012 95.6811 -133.364 160.6 -150.011 160.6 -265.903 GPRESSURE: 2828000 -197.749 171.754 -99.5837 40.2512 -150.392 105.893 -126.35 -4.60173 -338.518 PRESSAVG: 2828000 -94.8857 1.20587 2.71929 1.20585 22.0502 -54.2161 2.71924 -54.2161 -23.3145 GPRESSAVG: 2828000 -94.7511 1.95287 3.42938 1.43262 22.524 -53.8777 4.63675 -53.825 -24.3483 TIMING: 2828000 CPU: 9003.43, 0.00312633/step Wall: 9003.43, 0.00312633/step, 1.88622 hours remaining, 240.867188 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: 2828000 4041.6239 20349.4051 14500.9997 259.2062 -203959.1043 2828.9319 0.0000 0.0000 52451.9322 -109527.0053 301.4420 -161978.9375 -109154.9669 299.1818 -263.8965 -228.8863 762557.5312 -32.0500 -32.1918 PRESSURE: 2828200 -56.5072 36.236 92.4737 36.235 -314.738 -51.5709 92.4729 -51.5708 -66.6451 GPRESSURE: 2828200 -131.961 -9.43936 102.576 -1.11538 -181.62 49.2083 237.464 -24.0224 -41.4755 PRESSAVG: 2828200 30.8189 -13.2953 17.4671 -13.2953 -2.74583 -11.7492 17.4672 -11.7492 12.3817 GPRESSAVG: 2828200 30.1434 -15.1539 16.5763 -12.4465 -2.29554 -10.0608 15.7918 -12.7992 12.3909 TIMING: 2828200 CPU: 9004.06, 0.0031369/step Wall: 9004.06, 0.0031369/step, 1.89242 hours remaining, 240.867188 MB of memory in use. ENERGY: 2828200 3967.3388 20624.3328 14476.8436 256.1640 -203622.0919 2466.3031 0.0000 0.0000 52375.9338 -109455.1758 301.0052 -161831.1096 -109085.4452 299.7527 -145.9635 -118.3524 761554.6432 13.4849 13.4129 LDB: ============= START OF LOAD BALANCING ============== 9016.51 LDB: ============== END OF LOAD BALANCING =============== 9016.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9016.51 LDB: ============= START OF LOAD BALANCING ============== 9016.82 LDB: Largest compute 7059 load 0.032911 is 16.8% of average load 0.195363 LDB: Average compute 0.004382 is 2.2% of average load 0.195363 LDB: TIME 9016.82 LOAD: AVG 0.195363 MAX 0.213021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.109 MB LDB: TIME 9016.83 LOAD: AVG 0.195363 MAX 0.213021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.109 MB LDB: TIME 9016.83 LOAD: AVG 0.195363 MAX 0.213021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.109 MB LDB: ============== END OF LOAD BALANCING =============== 9016.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9016.83 PRESSURE: 2828400 -222.385 -125.617 -132.911 -125.616 148.36 -114.517 -132.912 -114.518 -40.2957 GPRESSURE: 2828400 -46.2663 -120.57 -56.7868 -96.5672 157.98 -83.0772 -42.4686 -155.864 -125.231 PRESSAVG: 2828400 -35.8499 -19.2139 2.73068 -19.214 52.0921 -12.5885 2.73064 -12.5885 -10.5134 GPRESSAVG: 2828400 -36.2347 -18.461 3.1455 -21.5069 52.623 -12.5446 3.99556 -13.4099 -10.5564 TIMING: 2828400 CPU: 9004.7, 0.0031912/step Wall: 9004.7, 0.0031912/step, 1.925 hours remaining, 240.023438 MB of memory in use. ENERGY: 2828400 4027.9142 20552.6294 14482.3103 240.5423 -203443.7573 2672.2532 0.0000 0.0000 52138.9618 -109329.1461 299.6433 -161468.1079 -108961.3666 299.8054 -38.1072 -4.5058 760999.5729 1.9096 1.9440 PRESSURE: 2828600 237.347 -118.335 -116.204 -118.334 81.0982 57.1088 -116.203 57.1085 -211.777 GPRESSURE: 2828600 203.375 -43.4627 -102.457 -192.128 100.335 -47.4972 -92.1668 136.735 -104.416 PRESSAVG: 2828600 5.96496 4.84467 -14.5221 4.84472 -23.2111 -34.5727 -14.522 -34.5728 -10.0822 GPRESSAVG: 2828600 5.40652 4.70167 -16.2217 6.30432 -22.4909 -35.6914 -16.3631 -32.5087 -10.0042 TIMING: 2828600 CPU: 9005.32, 0.0031431/step Wall: 9005.32, 0.0031431/step, 1.89581 hours remaining, 240.023438 MB of memory in use. ENERGY: 2828600 4000.6394 20660.4613 14438.9825 248.2437 -203521.4689 2580.9548 0.0000 0.0000 52188.1745 -109404.0128 299.9262 -161592.1873 -109034.5253 300.0822 35.5562 66.4315 761168.0629 -9.1094 -9.0295 PRESSURE: 2828800 42.3407 22.6101 113.275 22.6103 -427.888 -137.329 113.275 -137.33 -77.417 GPRESSURE: 2828800 87.9472 -127.335 99.1603 -117.697 -355.632 -147.515 115.916 -106.423 -124.925 PRESSAVG: 2828800 24.1569 -31.7831 -24.9284 -31.7831 -33.2138 17.351 -24.9284 17.3511 -8.68718 GPRESSAVG: 2828800 24.4369 -31.1217 -23.8244 -31.5314 -33.8514 17.435 -21.5072 15.0055 -8.38165 TIMING: 2828800 CPU: 9005.95, 0.00310656/step Wall: 9005.95, 0.00310656/step, 1.8736 hours remaining, 240.023438 MB of memory in use. ENERGY: 2828800 3984.7201 20775.3854 14412.4946 231.6661 -203222.3458 2490.7760 0.0000 0.0000 51987.1880 -109340.1155 298.7711 -161327.3035 -108980.1330 299.5620 -154.3214 -130.8700 762561.4081 -5.9147 -5.9321 PRESSURE: 2829000 298.311 50.6868 221.182 50.6869 -10.968 -210.256 221.182 -210.256 -369.375 GPRESSURE: 2829000 331.192 2.54818 253.398 128.343 8.80961 -210.932 292.803 -253.269 -341.184 PRESSAVG: 2829000 -21.4409 15.365 -35.1381 15.365 30.9855 -14.9826 -35.1381 -14.9825 3.82518 GPRESSAVG: 2829000 -19.4995 14.7065 -35.6601 16.1862 28.7359 -15.4398 -36.7515 -13.1724 4.54995 TIMING: 2829000 CPU: 9006.57, 0.00314179/step Wall: 9006.57, 0.00314179/step, 1.89467 hours remaining, 240.023438 MB of memory in use. ENERGY: 2829000 3969.3781 20582.4510 14387.4769 238.2508 -203156.4025 2450.2901 0.0000 0.0000 52047.5662 -109480.9896 299.1181 -161528.5557 -109128.6381 298.9891 -27.3442 -0.3939 760374.8569 4.4566 4.5954 PRESSURE: 2829200 -374.579 -21.6457 -29.4246 -21.6448 -372.008 -62.7749 -29.4244 -62.774 -493.987 GPRESSURE: 2829200 -339.567 -80.0921 -10.0005 -16.3924 -318.644 -65.2553 -22.1212 -96.02 -502.633 PRESSAVG: 2829200 36.8918 1.70776 0.143692 1.70779 -8.5741 -32.274 0.143712 -32.274 12.7074 GPRESSAVG: 2829200 34.5016 2.24899 -0.707551 0.406739 -5.90783 -31.3297 0.0852577 -32.3575 12.7876 TIMING: 2829200 CPU: 9007.2, 0.00312181/step Wall: 9007.2, 0.00312181/step, 1.88245 hours remaining, 240.023438 MB of memory in use. ENERGY: 2829200 4068.7923 20395.6325 14462.2856 257.5073 -203099.7663 2403.6025 0.0000 0.0000 52024.2229 -109487.7231 298.9839 -161511.9461 -109133.8419 298.8696 -413.5248 -386.9479 761595.7206 13.6750 13.7938 PRESSURE: 2829400 -145.834 -182.271 -114.809 -182.271 -70.0092 31.6291 -114.809 31.6294 -83.8809 GPRESSURE: 2829400 -49.4548 -76.6843 -122.061 -222.335 -78.719 90.6385 -106.432 -110.752 -105.847 PRESSAVG: 2829400 1.58341 -15.8356 32.3584 -15.8356 -39.7431 -63.3199 32.3584 -63.3198 17.5276 GPRESSAVG: 2829400 2.29109 -17.4054 33.9953 -15.9183 -39.6845 -62.4671 32.0251 -63.6939 16.4148 TIMING: 2829400 CPU: 9007.82, 0.00312771/step Wall: 9007.82, 0.00312771/step, 1.88584 hours remaining, 240.023438 MB of memory in use. ENERGY: 2829400 3970.6393 20534.9191 14445.2223 233.5101 -202996.2204 2526.5919 0.0000 0.0000 51844.1829 -109441.1548 297.9492 -161285.3377 -109073.5449 299.4007 -99.9082 -78.0069 761488.3562 -6.8774 -6.9929 PRESSURE: 2829600 -128.087 261.12 -49.041 261.12 148.475 -251.782 -49.0408 -251.782 -27.4735 GPRESSURE: 2829600 -195.71 241.422 61.4175 184.52 271.857 -191.558 21.5279 -105.954 16.3934 PRESSAVG: 2829600 -45.6622 -47.177 6.40957 -47.177 35.2654 -21.6935 6.40953 -21.6935 -4.31437 GPRESSAVG: 2829600 -45.7281 -44.7796 6.95865 -46.5921 35.2289 -22.1344 6.51849 -20.9338 -4.01425 TIMING: 2829600 CPU: 9008.46, 0.00315491/step Wall: 9008.46, 0.00315491/step, 1.90206 hours remaining, 240.023438 MB of memory in use. ENERGY: 2829600 3920.8260 20484.0448 14388.4220 262.1018 -203344.2383 2621.1961 0.0000 0.0000 52209.1043 -109458.5433 300.0464 -161667.6476 -109088.1493 299.2071 -2.3617 30.8467 760895.4960 -4.9037 -4.8378 PRESSURE: 2829800 -8.07728 -146.29 -190.883 -146.291 -230.364 -83.44 -190.881 -83.4397 77.7748 GPRESSURE: 2829800 -78.0467 -115.893 -215.812 -110.14 -34.3655 -106.12 -129.189 -127.745 51.6788 PRESSAVG: 2829800 -24.482 -21.3561 -2.99532 -21.3561 7.86584 -57.971 -2.99538 -57.9711 10.0365 GPRESSAVG: 2829800 -24.3905 -21.1265 -3.69358 -23.6137 7.58952 -58.1119 -3.71131 -58.8917 10.0347 TIMING: 2829800 CPU: 9009.09, 0.00315144/step Wall: 9009.09, 0.00315144/step, 1.89979 hours remaining, 240.023438 MB of memory in use. ENERGY: 2829800 3930.5420 20579.2612 14457.4946 263.2163 -203473.2262 2736.7934 0.0000 0.0000 52046.4703 -109459.4484 299.1118 -161505.9187 -109102.6568 299.0546 -53.5554 -20.2445 761749.8760 -2.1932 -2.2554 PRESSURE: 2830000 189.645 -265.103 -113.013 -265.103 49.2506 -34.0477 -113.013 -34.0466 -96.5322 GPRESSURE: 2830000 199.477 -188.8 -80.9619 -241.75 100.602 -36.9254 -234.692 -53.8337 -86.4593 PRESSAVG: 2830000 43.1128 -13.3965 -16.4308 -13.3965 -4.14845 -37.3405 -16.4308 -37.3405 -14.6981 GPRESSAVG: 2830000 43.2844 -13.206 -14.7924 -13.8685 -3.89978 -37.3329 -15.9082 -38.5081 -15.062 TIMING: 2830000 CPU: 9009.72, 0.00315511/step Wall: 9009.72, 0.00315511/step, 1.90183 hours remaining, 240.023438 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: 2830000 4049.8043 20466.3861 14419.0962 236.1777 -203668.6749 2870.7633 0.0000 0.0000 51964.3046 -109662.1428 298.6396 -161626.4473 -109310.1742 298.5279 47.4544 71.2068 759131.2595 8.0888 8.1075 PRESSURE: 2830200 198.618 120.546 -195.701 120.545 211.767 -204.505 -195.701 -204.505 60.2081 GPRESSURE: 2830200 213.583 41.2655 -152.984 116.516 202.542 -190.689 -184.723 -83.8104 118 PRESSAVG: 2830200 -16.204 -45.9877 -50.2318 -45.9877 28.7098 -49.193 -50.2318 -49.1931 1.13451 GPRESSAVG: 2830200 -14.5706 -47.098 -52.3859 -43.1738 26.9647 -50.1325 -49.3897 -49.2912 0.840251 TIMING: 2830200 CPU: 9010.35, 0.003147/step Wall: 9010.35, 0.003147/step, 1.89677 hours remaining, 240.023438 MB of memory in use. ENERGY: 2830200 4051.9717 20461.3606 14408.6599 244.8248 -203379.7405 2459.4422 0.0000 0.0000 52200.0351 -109553.4462 299.9943 -161753.4813 -109199.4031 298.9601 156.8645 178.0414 758898.2455 4.5468 4.4115 PRESSURE: 2830400 -214.07 52.9813 176.106 52.9807 -231.373 -18.3207 176.108 -18.3218 -322.512 GPRESSURE: 2830400 -157.014 -39.7984 203.838 -20.1272 -214.006 -7.51311 124.374 -4.93589 -309.945 PRESSAVG: 2830400 21.6833 -40.0243 -34.5137 -40.0243 7.00381 -20.7402 -34.5137 -20.7402 5.08744 GPRESSAVG: 2830400 20.7932 -40.5817 -33.154 -40.6291 8.26271 -20.2679 -36.0387 -20.2675 5.30568 TIMING: 2830400 CPU: 9010.97, 0.00311648/step Wall: 9010.97, 0.00311648/step, 1.8782 hours remaining, 240.023438 MB of memory in use. ENERGY: 2830400 3994.6145 20453.4994 14470.1821 240.8332 -203252.9906 2631.6275 0.0000 0.0000 51910.4965 -109551.7374 298.3303 -161462.2339 -109198.0670 298.8874 -255.9850 -226.9883 762497.7519 11.2582 11.4539 PRESSURE: 2830600 173.019 -92.8111 -71.0594 -92.8112 -182.335 166.186 -71.0601 166.186 -5.99163 GPRESSURE: 2830600 200.217 -64.9551 -125.985 -55.6715 -128.022 160.647 12.4009 102.642 0.128181 PRESSAVG: 2830600 45.8486 -83.1985 42.7168 -83.1986 -16.0517 -13.3263 42.7167 -13.3262 -15.1503 GPRESSAVG: 2830600 46.3515 -82.292 42.0864 -85.8493 -15.8034 -13.4506 44.7968 -12.3971 -15.7927 TIMING: 2830600 CPU: 9011.59, 0.00311984/step Wall: 9011.59, 0.00311984/step, 1.88005 hours remaining, 240.023438 MB of memory in use. ENERGY: 2830600 3987.7413 20254.3632 14505.3405 238.3150 -203045.3717 2591.9267 0.0000 0.0000 51990.5936 -109477.0913 298.7907 -161467.6849 -109112.8199 299.2706 -5.1026 24.1077 762616.8236 4.8822 4.9185 PRESSURE: 2830800 10.7623 -97.234 250.463 -97.2332 -192.461 -119.591 250.462 -119.591 -89.7182 GPRESSURE: 2830800 -62.5132 -62.5117 205.911 -78.904 -102.467 -141.107 253.944 -60.0692 -43.9515 PRESSAVG: 2830800 27.3015 -77.734 68.6349 -77.7341 -55.4852 -55.773 68.6349 -55.773 5.06822 GPRESSAVG: 2830800 27.3563 -78.3032 70.0692 -76.4424 -55.7661 -55.8143 67.8277 -56.4705 5.23343 TIMING: 2830800 CPU: 9012.22, 0.00312754/step Wall: 9012.22, 0.00312754/step, 1.88452 hours remaining, 240.023438 MB of memory in use. ENERGY: 2830800 3907.8921 20492.6088 14527.8626 258.3742 -203287.6498 2643.4445 0.0000 0.0000 51817.6534 -109639.8141 297.7968 -161457.4676 -109273.0006 298.5198 -90.4722 -69.6438 764057.4572 -7.7052 -7.7255 PRESSURE: 2831000 117.371 159.392 36.356 159.392 497.498 82.2276 36.3557 82.2281 70.5238 GPRESSURE: 2831000 160.899 97.4756 -94.9975 22.0922 527.806 11.2837 22.4371 40.7214 76.7895 PRESSAVG: 2831000 -9.06102 -22.1322 12.572 -22.1322 20.378 -34.9717 12.5719 -34.9717 21.9417 GPRESSAVG: 2831000 -9.17094 -22.9268 10.2931 -20.4742 20.6001 -35.7665 12.6501 -33.7329 21.6788 TIMING: 2831000 CPU: 9012.85, 0.00313903/step Wall: 9012.85, 0.00313903/step, 1.89127 hours remaining, 240.023438 MB of memory in use. ENERGY: 2831000 3994.3318 20413.9825 14527.7400 250.8461 -203876.5936 3067.6302 0.0000 0.0000 51875.7364 -109746.3266 298.1306 -161622.0630 -109385.6659 298.5624 228.4643 255.1649 761362.5022 11.0862 11.0360 PRESSURE: 2831200 31.3309 -118.581 40.9341 -118.581 11.3007 102.627 40.934 102.629 -163.944 GPRESSURE: 2831200 -81.2862 -84.6067 -79.594 -122.426 139.045 152.589 158.228 -13.8787 -99.2701 PRESSAVG: 2831200 28.6223 -34.694 1.82696 -34.694 -19.0471 2.19077 1.82699 2.19076 -0.447394 GPRESSAVG: 2831200 28.9499 -33.9874 1.85837 -33.1874 -19.9066 2.56428 3.67685 0.818245 0.396777 TIMING: 2831200 CPU: 9013.48, 0.00315327/step Wall: 9013.48, 0.00315327/step, 1.89967 hours remaining, 240.023438 MB of memory in use. ENERGY: 2831200 4041.0622 20484.0947 14439.2486 248.9650 -203610.3804 2735.4722 0.0000 0.0000 51960.0101 -109701.5275 298.6149 -161661.5377 -109340.2266 298.9620 -40.4376 -13.8371 763016.4093 3.0426 3.1467 PRESSURE: 2831400 -539.756 -22.8545 -52.3754 -22.8539 -88.8613 129.181 -52.3757 129.182 -278.515 GPRESSURE: 2831400 -309.208 -58.3181 -24.6114 -33.0409 -173.612 276.849 -32.0068 140.626 -313.937 PRESSAVG: 2831400 47.5757 9.08257 -32.6799 9.08255 -31.0977 -0.881307 -32.6799 -0.881214 -3.49225 GPRESSAVG: 2831400 46.7354 7.96564 -32.4098 7.6649 -30.5976 1.19377 -33.6213 -0.873719 -3.09681 TIMING: 2831400 CPU: 9014.1, 0.00313151/step Wall: 9014.1, 0.00313151/step, 1.88639 hours remaining, 240.023438 MB of memory in use. ENERGY: 2831400 4024.0433 20572.6196 14452.2906 240.3834 -203069.1504 2446.2868 0.0000 0.0000 51719.1438 -109614.3830 297.2306 -161333.5267 -109261.1021 298.7725 -302.3773 -265.5856 763912.3927 4.3286 4.3470 PRESSURE: 2831600 370.924 48.1319 2.63173 48.1306 -107.096 91.1305 2.63166 91.1302 -353.135 GPRESSURE: 2831600 335.408 51.919 68.8807 118.789 -64.8758 115.124 -55.9437 84.5491 -272.995 PRESSAVG: 2831600 -38.6629 -67.7735 -20.9549 -67.7735 -1.15739 86.1532 -20.9549 86.1532 -17.3996 GPRESSAVG: 2831600 -39.5565 -67.054 -19.5865 -69.0176 -1.04856 84.3188 -23.9104 85.0406 -16.308 TIMING: 2831600 CPU: 9014.73, 0.00313061/step Wall: 9014.73, 0.00313061/step, 1.88567 hours remaining, 240.023438 MB of memory in use. ENERGY: 2831600 3970.8124 20361.5184 14580.0074 251.8801 -203414.4262 2714.6831 0.0000 0.0000 52052.1264 -109483.3985 299.1443 -161535.5249 -109123.0446 298.8179 -29.7689 -0.8212 761508.4014 -19.0733 -18.9710 PRESSURE: 2831800 -187.785 -94.4683 38.348 -94.4688 -208.745 139.777 38.3479 139.777 -149.458 GPRESSURE: 2831800 -108.178 -5.08497 17.848 -188.701 -141.865 156.247 56.5134 132.353 -214.203 PRESSAVG: 2831800 56.9519 -26.6616 -18.5921 -26.6616 -2.20393 -10.4097 -18.5921 -10.4096 -13.6485 GPRESSAVG: 2831800 58.1513 -26.8174 -19.7574 -26.7353 -2.89407 -8.83266 -16.6973 -9.69753 -14.665 TIMING: 2831800 CPU: 9015.36, 0.00312998/step Wall: 9015.36, 0.00312998/step, 1.88512 hours remaining, 240.023438 MB of memory in use. ENERGY: 2831800 3933.6065 20650.7592 14517.9316 242.0233 -203551.0981 2813.1598 0.0000 0.0000 52041.8469 -109351.7708 299.0852 -161393.6178 -108992.2739 299.4756 -181.9958 -154.7485 763362.8840 13.6998 13.5307 PRESSURE: 2832000 -334.698 -17.2782 150.942 -17.2787 213.879 -322.41 150.942 -322.408 -271.199 GPRESSURE: 2832000 -301.282 -32.8519 66.6696 -34.193 297.293 -335.526 221.227 -227.058 -298.477 PRESSAVG: 2832000 -48.4267 0.795964 -22.9922 0.795902 4.21047 -66.0096 -22.9922 -66.0096 -12.312 GPRESSAVG: 2832000 -48.4703 1.42794 -25.2357 0.73304 4.61564 -66.555 -23.3214 -65.7103 -12.4114 TIMING: 2832000 CPU: 9015.98, 0.00311974/step Wall: 9015.98, 0.00311974/step, 1.87878 hours remaining, 240.023438 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: 2832000 4026.2379 20570.4734 14478.9197 236.0389 -203224.1202 2410.4183 0.0000 0.0000 52144.7734 -109357.2586 299.6767 -161502.0321 -109000.9339 299.7396 -130.6730 -100.8218 762422.6086 -18.8427 -18.7554 PRESSURE: 2832200 -110.96 -160.063 -285.758 -160.063 307.346 -155.369 -285.759 -155.37 61.4697 GPRESSURE: 2832200 -85.0947 -75.0435 -164.448 -269.275 401.362 -126.963 -227.771 -148.901 6.75783 PRESSAVG: 2832200 -52.4341 -15.1412 -2.70108 -15.1412 52.6876 -22.8423 -2.70107 -22.8422 -9.16194 GPRESSAVG: 2832200 -52.3662 -15.8958 0.0169017 -14.8114 54.2813 -21.9723 -4.22024 -23.5296 -10.8389 TIMING: 2832200 CPU: 9016.61, 0.00315608/step Wall: 9016.61, 0.00315608/step, 1.90049 hours remaining, 240.023438 MB of memory in use. ENERGY: 2832200 4040.0934 20593.0707 14491.3199 266.3401 -203541.1386 2730.3893 0.0000 0.0000 51970.3600 -109449.5652 298.6744 -161419.9252 -109098.1033 299.2303 85.9521 107.6749 761770.0736 -2.9695 -2.9746 LDB: ============= START OF LOAD BALANCING ============== 9029.06 LDB: ============== END OF LOAD BALANCING =============== 9029.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9029.06 LDB: ============= START OF LOAD BALANCING ============== 9029.37 LDB: Largest compute 7038 load 0.034021 is 17.4% of average load 0.195419 LDB: Average compute 0.004358 is 2.2% of average load 0.195419 LDB: TIME 9029.38 LOAD: AVG 0.195419 MAX 0.215209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.59 MB LDB: TIME 9029.38 LOAD: AVG 0.195419 MAX 0.215209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.793 MB LDB: TIME 9029.38 LOAD: AVG 0.195419 MAX 0.215209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.793 MB LDB: ============== END OF LOAD BALANCING =============== 9029.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9029.38 PRESSURE: 2832400 -257.324 -67.0043 106.104 -67.0048 -61.3311 -236.803 106.104 -236.803 -196.464 GPRESSURE: 2832400 -209.709 79.9616 46.8659 -151.719 -31.0911 -239.38 131.113 -228.674 -212.135 PRESSAVG: 2832400 -42.6056 10.7505 7.34315 10.7504 74.625 -46.8859 7.34315 -46.8859 -18.8649 GPRESSAVG: 2832400 -42.0213 12.1825 7.11861 10.4025 72.7215 -48.0757 7.32362 -45.0246 -17.9334 TIMING: 2832400 CPU: 9017.25, 0.00318685/step Wall: 9017.25, 0.00318685/step, 1.91884 hours remaining, 240.144531 MB of memory in use. ENERGY: 2832400 4015.0042 20472.6983 14475.0494 233.7255 -202765.7704 2348.9863 0.0000 0.0000 52076.0045 -109144.3022 299.2815 -161220.3067 -108790.4771 299.7037 -171.7063 -150.9787 763750.9560 4.3849 4.2556 PRESSURE: 2832600 45.2461 144.125 43.1905 144.126 63.5292 -187.687 43.1914 -187.687 24.7235 GPRESSURE: 2832600 114.526 132.992 80.3794 138.094 65.9858 -101.953 47.1279 -146.575 31.5882 PRESSAVG: 2832600 -87.3384 47.0529 11.6458 47.0529 66.8313 -64.4818 11.6459 -64.4818 2.17221 GPRESSAVG: 2832600 -86.6455 46.3463 9.84148 47.2449 66.6986 -65.1199 12.2992 -66.0467 1.8834 TIMING: 2832600 CPU: 9017.87, 0.00311532/step Wall: 9017.87, 0.00311532/step, 1.87559 hours remaining, 240.144531 MB of memory in use. ENERGY: 2832600 3943.1235 20513.0473 14454.2603 263.4001 -203501.2912 2802.5290 0.0000 0.0000 52177.6216 -109347.3093 299.8655 -161524.9309 -108985.6587 299.7679 44.4996 70.6999 762176.3317 -6.1116 -6.0212 PRESSURE: 2832800 -205.233 182.758 -3.57592 182.759 -14.576 146.85 -3.57594 146.85 138.791 GPRESSURE: 2832800 -136.751 191.836 85.3457 193.97 41.9296 229.511 152.732 108.242 91.6924 PRESSAVG: 2832800 -28.3666 20.5837 41.7108 20.5837 74.0946 -58.3083 41.7108 -58.3084 27.6532 GPRESSAVG: 2832800 -29.1212 19.6402 43.2779 20.9594 75.3369 -57.9453 43.8909 -56.0362 27.2303 TIMING: 2832800 CPU: 9018.49, 0.00311817/step Wall: 9018.49, 0.00311817/step, 1.87714 hours remaining, 240.144531 MB of memory in use. ENERGY: 2832800 4004.5134 20410.7892 14507.3029 237.8914 -203301.7528 2817.4673 0.0000 0.0000 52052.3855 -109271.4033 299.1458 -161323.7887 -108906.5716 300.0257 -27.0057 -1.0432 762121.2209 24.4604 24.4820 PRESSURE: 2833000 -160.077 -138.982 146.051 -138.982 -44.8151 -43.3948 146.052 -43.3954 -224.482 GPRESSURE: 2833000 -184.404 -88.4541 140.475 -46.6207 49.8639 38.2655 155.237 -24.5472 -222.292 PRESSAVG: 2833000 -21.6229 40.3296 24.553 40.3297 45.5083 -33.7843 24.553 -33.7843 5.66874 GPRESSAVG: 2833000 -20.6853 43.5343 23.5114 38.0732 44.2784 -31.8809 23.114 -34.0983 6.10162 TIMING: 2833000 CPU: 9019.12, 0.00311476/step Wall: 9019.12, 0.00311476/step, 1.87491 hours remaining, 240.144531 MB of memory in use. ENERGY: 2833000 3978.1664 20498.0984 14465.6152 276.4748 -202888.2242 2335.7024 0.0000 0.0000 52037.0028 -109297.1643 299.0574 -161334.1671 -108936.5529 299.3976 -143.1245 -118.9442 763633.6077 9.8514 9.8982 PRESSURE: 2833200 -309.49 -187.027 -95.1603 -187.027 -143.02 -240.012 -95.16 -240.012 -153.285 GPRESSURE: 2833200 -253.525 -34.4339 -144.573 -180.687 -133.897 -226.344 -108.837 -158.911 -131.772 PRESSAVG: 2833200 5.05234 3.39296 19.988 3.39303 -8.44053 -67.0179 19.988 -67.0179 -19.7683 GPRESSAVG: 2833200 5.31048 -0.565465 21.2634 7.44852 -8.33401 -68.4981 17.6955 -66.1297 -19.6103 TIMING: 2833200 CPU: 9019.74, 0.0030973/step Wall: 9019.74, 0.0030973/step, 1.86423 hours remaining, 240.144531 MB of memory in use. ENERGY: 2833200 3924.3615 20529.7685 14479.0957 258.1412 -202993.7615 2508.6278 0.0000 0.0000 52101.0774 -109192.6894 299.4256 -161293.7668 -108832.4059 299.5085 -201.9315 -173.0649 762768.6095 -7.7188 -7.5446 PRESSURE: 2833400 -68.7238 378.884 131.859 378.884 -143.704 81.9696 131.858 81.9683 440.509 GPRESSURE: 2833400 -63.1806 304.414 85.6289 335.689 -39.5225 105.751 111.695 144.915 416.573 PRESSAVG: 2833400 -38.1081 -26.6482 74.3648 -26.6483 35.1439 -12.777 74.3648 -12.777 -4.53083 GPRESSAVG: 2833400 -39.9182 -24.8812 74.0292 -27.5483 36.2283 -10.9223 72.7925 -13.8366 -3.69096 TIMING: 2833400 CPU: 9020.37, 0.00314123/step Wall: 9020.37, 0.00314123/step, 1.8905 hours remaining, 240.144531 MB of memory in use. ENERGY: 2833400 4037.7810 20439.3233 14423.2918 240.1791 -203526.5140 3080.1858 0.0000 0.0000 52288.1209 -109017.6322 300.5005 -161305.7531 -108665.1624 299.5940 76.0271 104.6232 761545.3787 -2.4983 -2.4603 PRESSURE: 2833600 -23.4182 47.9977 25.2717 47.9981 -186.652 30.4816 25.2717 30.4801 -380.984 GPRESSURE: 2833600 33.4076 49.9991 27.4592 -20.1891 -180.178 -7.65815 70.1483 -82.4769 -326.423 PRESSAVG: 2833600 -30.9686 -0.652796 52.4867 -0.652835 8.55117 -67.2952 52.4866 -67.2952 -1.99091 GPRESSAVG: 2833600 -30.0811 -2.65916 52.6968 0.431202 8.36237 -69.7026 55.3919 -66.742 -2.71914 TIMING: 2833600 CPU: 9020.99, 0.00312723/step Wall: 9020.99, 0.00312723/step, 1.8819 hours remaining, 240.144531 MB of memory in use. ENERGY: 2833600 4087.2999 20428.0445 14506.1522 257.3944 -202608.8000 2196.0028 0.0000 0.0000 52065.5333 -109068.3729 299.2213 -161133.9062 -108701.6291 300.0841 -197.0178 -157.7309 762686.7801 -8.1361 -8.1459 PRESSURE: 2833800 -138.764 -100.721 85.6118 -100.721 133.413 -217.421 85.6124 -217.421 219.689 GPRESSURE: 2833800 -131.002 -176.489 29.1914 -13.8554 180.134 -172.544 174.134 -218.676 255.195 PRESSAVG: 2833800 -56.2308 -24.4816 10.3737 -24.4816 13.4073 -21.7795 10.3737 -21.7795 -0.445141 GPRESSAVG: 2833800 -56.5306 -22.4414 9.52828 -27.4678 12.9658 -21.0937 9.23033 -21.9271 0.155785 TIMING: 2833800 CPU: 9021.62, 0.00312712/step Wall: 9021.62, 0.00312712/step, 1.88166 hours remaining, 240.144531 MB of memory in use. ENERGY: 2833800 3956.8513 20504.0988 14505.1689 251.1816 -203357.3425 2852.7767 0.0000 0.0000 52359.5410 -108927.7242 300.9110 -161287.2653 -108567.4731 299.6327 71.4462 101.4426 763561.0933 -14.4229 -14.4697 PRESSURE: 2834000 430.836 -112.574 -81.8143 -112.574 103.777 114.13 -81.8141 114.131 144.166 GPRESSURE: 2834000 501.358 -102.15 -37.9769 -37.5781 90.9212 19.5238 -130.557 81.0818 178.022 PRESSAVG: 2834000 4.54647 -22.2371 -31.455 -22.2371 -52.4521 -23.5383 -31.455 -23.5383 7.77212 GPRESSAVG: 2834000 5.46578 -23.6127 -32.0136 -18.8237 -52.6657 -25.6046 -29.8003 -20.1964 7.02865 TIMING: 2834000 CPU: 9022.24, 0.00311952/step Wall: 9022.24, 0.00311952/step, 1.87691 hours remaining, 240.144531 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: 2834000 3939.2276 20505.8557 14491.4374 239.6658 -203168.0990 2900.6524 0.0000 0.0000 51940.4926 -109150.7676 298.5027 -161091.2602 -108790.8408 299.5697 226.2598 256.7670 764713.3740 -13.3778 -13.3904 PRESSURE: 2834200 -246.65 185.754 63.1626 185.754 -60.8613 -60.9238 63.1618 -60.9233 56.8162 GPRESSURE: 2834200 -177.302 282.482 67.2401 208.234 -87.3013 -104.048 3.11897 -55.7785 114.552 PRESSAVG: 2834200 -13.4646 -25.079 -46.5439 -25.079 15.788 -58.4578 -46.5439 -58.4577 20.3134 GPRESSAVG: 2834200 -13.2117 -24.8263 -46.243 -25.7918 15.0406 -56.9137 -46.3738 -61.9909 20.8021 TIMING: 2834200 CPU: 9022.86, 0.00311741/step Wall: 9022.86, 0.00311741/step, 1.87547 hours remaining, 240.144531 MB of memory in use. ENERGY: 2834200 4055.1696 20279.1146 14584.6277 241.2956 -203474.2224 2790.7981 0.0000 0.0000 52507.8679 -109015.3488 301.7634 -161523.2167 -108643.9374 299.9258 -83.5650 -50.0169 762384.2044 7.5456 7.5437 PRESSURE: 2834400 -50.3473 15.927 -0.581432 15.9273 5.40604 -28.3763 -0.581167 -28.376 -28.3436 GPRESSURE: 2834400 -51.3682 77.2669 16.1736 -1.40664 33.8737 -144.448 -61.6699 31.281 34.7116 PRESSAVG: 2834400 -37.0484 4.55851 23.2732 4.55853 28.4217 9.16033 23.2732 9.16034 -11.1622 GPRESSAVG: 2834400 -37.5918 3.33479 23.6118 4.55666 27.7358 9.72325 22.7352 9.27976 -10.1889 TIMING: 2834400 CPU: 9023.49, 0.00311746/step Wall: 9023.49, 0.00311746/step, 1.87533 hours remaining, 240.144531 MB of memory in use. ENERGY: 2834400 4045.4765 20517.9353 14516.4978 265.4260 -203055.5846 2586.0662 0.0000 0.0000 51973.2630 -109150.9197 298.6911 -161124.1828 -108789.0258 299.8080 -24.4283 5.7390 761399.2116 -6.5963 -6.6816 PRESSURE: 2834600 -209.681 341.157 9.98379 341.157 170.062 -114.975 9.98376 -114.975 80.2022 GPRESSURE: 2834600 -53.1489 284.165 -0.185729 312.773 149.404 -131.221 -24.5965 -15.357 42.4952 PRESSAVG: 2834600 -6.54474 6.38358 -16.1452 6.3835 16.3519 -41.7225 -16.1453 -41.7226 -7.5112 GPRESSAVG: 2834600 -7.898 8.72948 -14.9108 4.77173 18.729 -41.2848 -15.289 -42.1391 -8.57023 TIMING: 2834600 CPU: 9024.12, 0.00313948/step Wall: 9024.12, 0.00313948/step, 1.8884 hours remaining, 240.144531 MB of memory in use. ENERGY: 2834600 4014.7726 20391.4637 14498.6964 242.5910 -203284.1446 2636.6505 0.0000 0.0000 52353.8101 -109146.1604 300.8781 -161499.9706 -108771.7842 299.8623 13.5277 46.2501 760380.2596 0.7653 0.7536 PRESSURE: 2834800 -267.037 6.7777 7.13125 6.77784 -620.992 41.416 7.13025 41.4157 -207.886 GPRESSURE: 2834800 -230.07 3.23147 -59.1333 44.6866 -588.325 22.8045 -11.4388 15.9869 -202.407 PRESSAVG: 2834800 9.71027 -9.58818 10.774 -9.58812 -15.9987 -20.711 10.7741 -20.711 4.56838 GPRESSAVG: 2834800 10.7646 -10.5068 7.5667 -8.68504 -16.0537 -22.3474 9.57589 -20.778 4.19075 TIMING: 2834800 CPU: 9024.74, 0.00311349/step Wall: 9024.74, 0.00311349/step, 1.87259 hours remaining, 240.144531 MB of memory in use. ENERGY: 2834800 4043.9049 20560.4783 14498.0103 253.3092 -202809.7956 2248.5338 0.0000 0.0000 52037.7956 -109167.7635 299.0619 -161205.5591 -108816.9052 299.8307 -365.3049 -340.2673 762534.0288 -0.5734 -0.3661 PRESSURE: 2835000 -99.3435 -136.402 98.0089 -136.403 -47.2508 -223.035 98.008 -223.035 249.33 GPRESSURE: 2835000 -33.3019 -110.009 158.585 -110.845 -78.4263 -194.686 -34.6364 -270.327 283.112 PRESSAVG: 2835000 1.15933 14.841 2.48633 14.8409 41.6449 -12.5343 2.48635 -12.5343 4.36824 GPRESSAVG: 2835000 1.40883 13.053 6.55706 13.9506 39.526 -10.5737 0.296218 -11.4673 6.33746 TIMING: 2835000 CPU: 9025.37, 0.00313868/step Wall: 9025.37, 0.00313868/step, 1.88757 hours remaining, 240.144531 MB of memory in use. ENERGY: 2835000 3990.4264 20649.9095 14424.0455 239.0954 -203175.3657 2674.3334 0.0000 0.0000 52074.9599 -109122.5956 299.2755 -161197.5555 -108757.5088 299.3949 34.2454 57.1280 763188.5955 15.7242 15.7574 PRESSURE: 2835200 217.98 45.9633 244.204 45.9643 153.796 171.735 244.204 171.736 138.614 GPRESSURE: 2835200 147.936 -30.623 234.93 -10.759 187.619 254.099 167.089 145.054 263.527 PRESSAVG: 2835200 -58.6315 -4.27527 2.03099 -4.27531 26.7046 -17.4036 2.03103 -17.4036 22.8426 GPRESSAVG: 2835200 -58.0697 -3.01945 1.50629 -4.92497 27.8813 -19.007 3.19121 -16.6024 21.4856 TIMING: 2835200 CPU: 9025.99, 0.00310899/step Wall: 9025.99, 0.00310899/step, 1.86954 hours remaining, 240.144531 MB of memory in use. ENERGY: 2835200 3974.3285 20467.5094 14473.0706 263.5127 -203476.4092 2905.9637 0.0000 0.0000 52444.5761 -108947.4482 301.3997 -161392.0243 -108577.4635 299.8721 170.1300 199.6941 762925.0971 -3.0281 -2.9009 PRESSURE: 2835400 10.0957 -100.382 93.1485 -100.381 486.893 86.888 93.1478 86.8873 -88.3398 GPRESSURE: 2835400 24.8424 23.3153 98.6814 -73.5588 474.133 154.993 158.881 138.81 -13.0938 PRESSAVG: 2835400 12.3136 -42.1647 -30.3996 -42.1647 8.99589 6.02388 -30.3996 6.02389 -42.8565 GPRESSAVG: 2835400 12.2038 -41.4511 -32.4794 -43.6764 8.55567 6.77478 -29.5478 5.97639 -41.711 TIMING: 2835400 CPU: 9026.61, 0.00311769/step Wall: 9026.61, 0.00311769/step, 1.8746 hours remaining, 240.144531 MB of memory in use. ENERGY: 2835400 4049.8527 20487.2453 14534.0070 264.2280 -203359.0246 2820.5495 0.0000 0.0000 52207.1960 -108995.9461 300.0355 -161203.1421 -108628.5578 300.0169 136.2165 161.9604 761940.6193 -7.1823 -6.9839 PRESSURE: 2835600 111.269 86.3389 11.2395 86.3394 284.072 173.318 11.2391 173.317 139.26 GPRESSURE: 2835600 211.863 181.66 77.8797 82.0978 250.468 96.7426 -11.2524 98.1223 176.563 PRESSAVG: 2835600 -18.7678 -14.03 -9.91402 -14.03 70.5257 -50.8442 -9.91403 -50.8442 30.7218 GPRESSAVG: 2835600 -17.6759 -13.2493 -8.1153 -11.8808 70.2318 -51.4124 -10.341 -52.0873 29.722 TIMING: 2835600 CPU: 9027.23, 0.00311156/step Wall: 9027.23, 0.00311156/step, 1.87074 hours remaining, 240.144531 MB of memory in use. ENERGY: 2835600 3915.5948 20594.9625 14546.5171 260.0093 -203321.5578 2917.6057 0.0000 0.0000 51967.6987 -109119.1698 298.6591 -161086.8685 -108756.4411 300.3208 178.2004 212.9647 761441.7715 27.4932 27.4260 PRESSURE: 2835800 -147.586 -76.4189 109.694 -76.4194 30.8195 78.5575 109.695 78.5577 125.344 GPRESSURE: 2835800 -130.303 -221.48 94.36 -145.092 56.0872 22.6803 48.5908 128.37 187.708 PRESSAVG: 2835800 -12.7622 0.363355 -43.1556 0.363248 -7.03585 -1.75894 -43.1557 -1.75897 20.7991 GPRESSAVG: 2835800 -11.9919 -0.39572 -44.0269 -1.32178 -7.57627 0.168819 -41.0029 -4.14373 20.4247 TIMING: 2835800 CPU: 9027.86, 0.00313465/step Wall: 9027.86, 0.00313465/step, 1.88445 hours remaining, 240.144531 MB of memory in use. ENERGY: 2835800 3982.4292 20326.6165 14503.0925 253.6789 -203358.9792 2623.2526 0.0000 0.0000 52398.3240 -109271.5855 301.1339 -161669.9095 -108910.4107 299.7789 2.8592 37.8308 762172.3343 0.3337 0.2855 PRESSURE: 2836000 -305.182 -51.11 -128.489 -51.1091 -99.1538 -146.047 -128.489 -146.047 -334.137 GPRESSURE: 2836000 -372.924 -18.4614 -135.099 -14.6338 -44.4009 -239.445 -153.017 -64.4516 -236.448 PRESSAVG: 2836000 28.9708 39.6441 -20.2611 39.6442 -18.123 5.73953 -20.2611 5.73944 5.96679 GPRESSAVG: 2836000 27.677 40.6758 -19.4208 39.5212 -17.5092 3.01344 -22.0148 10.6612 7.02212 TIMING: 2836000 CPU: 9028.49, 0.00313436/step Wall: 9028.49, 0.00313435/step, 1.8841 hours remaining, 240.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2836000 3997.0880 20512.4808 14549.9606 236.9982 -203171.1490 2500.1181 0.0000 0.0000 52260.0532 -109114.4500 300.3392 -161374.5032 -108754.5637 299.8630 -246.1574 -217.9246 761937.5219 5.6049 5.7299 PRESSURE: 2836200 -455.507 58.8236 71.3815 58.8236 -13.8158 232.352 71.3814 232.353 169.029 GPRESSURE: 2836200 -425.295 -71.4244 243.259 -95.2682 9.38038 284.19 136.308 100.796 171.26 PRESSAVG: 2836200 -10.0558 17.4534 -5.1039 17.4534 40.4953 2.69214 -5.10393 2.69215 11.4767 GPRESSAVG: 2836200 -10.2314 15.0026 -5.03881 19.0541 40.3436 5.13232 -5.77359 0.347515 11.9314 TIMING: 2836200 CPU: 9029.11, 0.00313131/step Wall: 9029.11, 0.00313131/step, 1.88209 hours remaining, 240.144531 MB of memory in use. ENERGY: 2836200 3951.3241 20605.3853 14481.4469 247.6674 -202770.8940 2444.2472 0.0000 0.0000 51932.9613 -109107.8619 298.4594 -161040.8231 -108750.4028 299.6926 -100.0979 -81.5516 760792.8595 13.9721 14.0145 LDB: ============= START OF LOAD BALANCING ============== 9041.56 LDB: ============== END OF LOAD BALANCING =============== 9041.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9041.56 LDB: ============= START OF LOAD BALANCING ============== 9041.88 LDB: Largest compute 7024 load 0.033111 is 16.9% of average load 0.195355 LDB: Average compute 0.004367 is 2.2% of average load 0.195355 LDB: TIME 9041.88 LOAD: AVG 0.195355 MAX 0.213842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.402 MB LDB: TIME 9041.88 LOAD: AVG 0.195355 MAX 0.213842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.473 MB LDB: TIME 9041.88 LOAD: AVG 0.195355 MAX 0.213842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.473 MB LDB: ============== END OF LOAD BALANCING =============== 9041.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9041.89 PRESSURE: 2836400 -125.74 -27.5854 -79.9844 -27.5864 -80.9787 -29.6296 -79.9839 -29.6302 207.107 GPRESSURE: 2836400 -70.3062 80.517 -34.0142 36.502 -96.5668 -72.9899 -42.6923 22.7917 238.137 PRESSAVG: 2836400 -20.2323 -26.6998 -31.4433 -26.6999 18.8791 -31.5619 -31.4433 -31.5618 3.43408 GPRESSAVG: 2836400 -19.6044 -24.1733 -30.4856 -27.8659 18.686 -33.5091 -30.8144 -31.4317 2.60792 TIMING: 2836400 CPU: 9029.75, 0.00319267/step Wall: 9029.75, 0.00319267/step, 1.91879 hours remaining, 240.347656 MB of memory in use. ENERGY: 2836400 3937.5515 20540.9970 14469.9034 249.9752 -203464.9314 2709.4894 0.0000 0.0000 52194.1487 -109362.8662 299.9605 -161557.0149 -109007.4945 299.2105 0.1293 23.7547 761799.8785 0.6936 0.5632 PRESSURE: 2836600 -177.749 90.7573 190.929 90.7564 -591.103 76.5361 190.929 76.5362 -422.243 GPRESSURE: 2836600 -273.043 104.612 157.433 115.205 -477.369 59.7717 176.458 74.5117 -350.004 PRESSAVG: 2836600 23.4602 41.806 -28.3126 41.806 -15.7296 47.8375 -28.3126 47.8375 14.8475 GPRESSAVG: 2836600 22.4483 41.8673 -30.1466 41.6434 -14.7293 48.8567 -29.0828 47.7911 14.8306 TIMING: 2836600 CPU: 9030.38, 0.00311688/step Wall: 9030.38, 0.00311688/step, 1.87307 hours remaining, 240.550781 MB of memory in use. ENERGY: 2836600 3993.1335 20567.9767 14410.0922 268.5647 -202698.4071 2349.5088 0.0000 0.0000 51828.5390 -109280.5922 297.8593 -161109.1312 -108927.1210 299.0484 -397.0318 -366.8055 764512.0268 7.5260 7.5165 PRESSURE: 2836800 -237.953 68.3325 -173.708 68.3328 72.4255 -40.4594 -173.709 -40.4592 180.52 GPRESSURE: 2836800 -151.391 21.6108 -187.219 107.842 58.6877 -88.4047 -178.161 50.2125 188.882 PRESSAVG: 2836800 24.5166 -5.23545 -16.9617 -5.23547 -38.7919 -36.1031 -16.9617 -36.103 2.74815 GPRESSAVG: 2836800 25.3507 -5.92573 -16.9039 -3.94721 -39.7668 -36.4209 -16.2299 -34.6372 3.1472 TIMING: 2836800 CPU: 9031, 0.00311272/step Wall: 9031, 0.00311272/step, 1.8704 hours remaining, 240.550781 MB of memory in use. ENERGY: 2836800 3915.7959 20519.5500 14494.7968 239.0349 -202894.5788 2354.0803 0.0000 0.0000 51991.8777 -109379.4432 298.7980 -161371.3209 -109012.2193 299.1306 4.9976 32.0597 761633.6244 -3.8424 -3.7563 PRESSURE: 2837000 137.849 -31.696 215.029 -31.696 -110.029 49.683 215.029 49.6828 230.656 GPRESSURE: 2837000 140.155 -72.9898 241.194 -22.4461 -56.387 53.3109 91.8736 28.1868 256.722 PRESSAVG: 2837000 -19.5415 19.8983 -10.2622 19.8984 16.934 -22.0193 -10.2623 -22.0193 -9.83626 GPRESSAVG: 2837000 -18.2686 18.9441 -9.47896 18.7416 17.5478 -22.6327 -9.54743 -22.961 -10.8534 TIMING: 2837000 CPU: 9031.63, 0.00313645/step Wall: 9031.63, 0.00313645/step, 1.88449 hours remaining, 240.550781 MB of memory in use. ENERGY: 2837000 3986.4416 20472.0916 14510.5654 240.0447 -203954.8575 2852.2833 0.0000 0.0000 52573.4171 -109320.0139 302.1402 -161893.4310 -108951.0812 299.6273 86.1589 113.4967 759586.6583 -4.1479 -3.8581 PRESSURE: 2837200 39.2526 127.605 52.6339 127.606 344.887 -92.9332 52.6343 -92.9333 193.84 GPRESSURE: 2837200 141.661 104.134 -36.3861 122.692 318.015 -51.1048 -0.825918 28.5788 207.312 PRESSAVG: 2837200 4.34573 22.1587 -19.7484 22.1587 16.4275 -29.7462 -19.7483 -29.7461 -8.69371 GPRESSAVG: 2837200 3.3769 22.7396 -19.4944 21.6967 16.7319 -28.726 -21.0716 -30.7438 -8.30602 TIMING: 2837200 CPU: 9032.25, 0.00313651/step Wall: 9032.25, 0.00313651/step, 1.88434 hours remaining, 240.550781 MB of memory in use. ENERGY: 2837200 4015.3771 20497.4700 14477.1657 240.0540 -203367.2646 2752.9300 0.0000 0.0000 52083.3941 -109300.8738 299.3240 -161384.2679 -108945.7369 299.6493 192.6597 222.3293 761131.1116 4.0265 3.9343 PRESSURE: 2837400 -37.1449 -99.292 76.2139 -99.2931 -167.84 -43.1872 76.2124 -43.1873 -53.9591 GPRESSURE: 2837400 -71.8561 -109.652 19.95 -102.867 -54.6106 -51.6315 96.4003 -126.731 -34.1563 PRESSAVG: 2837400 -5.64099 -38.6713 12.0517 -38.6713 37.4156 6.44366 12.0518 6.44381 13.6787 GPRESSAVG: 2837400 -5.71643 -36.9352 11.5528 -37.8376 38.0203 5.5037 13.9731 8.51073 13.4441 TIMING: 2837400 CPU: 9032.88, 0.00313411/step Wall: 9032.88, 0.00313411/step, 1.88273 hours remaining, 240.550781 MB of memory in use. ENERGY: 2837400 3929.0464 20547.1550 14397.0779 237.7709 -203307.8912 2755.1968 0.0000 0.0000 52016.2526 -109425.3915 298.9381 -161441.6442 -109066.2172 299.6514 -86.3147 -53.5410 762426.5346 15.1511 15.2493 PRESSURE: 2837600 -60.729 218.247 -22.1738 218.247 -8.69455 43.1597 -22.1742 43.16 -132.405 GPRESSURE: 2837600 8.38786 217.191 30.1014 288.532 4.43758 99.2113 -41.4 -141.921 -136.069 PRESSAVG: 2837600 -20.7678 -42.1838 14.6817 -42.1838 22.1449 -23.4113 14.6817 -23.4112 -12.7444 GPRESSAVG: 2837600 -19.3604 -43.0884 14.4259 -41.4397 21.6001 -23.8727 14.7454 -24.789 -13.8945 TIMING: 2837600 CPU: 9033.51, 0.00313068/step Wall: 9033.51, 0.00313068/step, 1.8805 hours remaining, 240.550781 MB of memory in use. ENERGY: 2837600 4066.2387 20553.1438 14502.9207 266.4053 -202981.6776 2371.7247 0.0000 0.0000 51830.2344 -109391.0101 297.8691 -161221.2445 -109037.8751 299.2946 -67.2762 -41.0812 761789.5816 -3.7891 -3.8849 PRESSURE: 2837800 162.634 -380.196 -142.824 -380.196 -123.398 253.5 -142.825 253.501 -339.526 GPRESSURE: 2837800 194.62 -344.071 -151.028 -361.671 -65.5956 226.727 -103.22 175.849 -351.043 PRESSAVG: 2837800 42.0155 -6.06544 -36.1576 -6.06544 -14.8192 -4.27493 -36.1576 -4.27492 13.6717 GPRESSAVG: 2837800 41.5087 -6.4288 -35.5652 -7.5844 -14.841 -4.20817 -36.1788 -5.07967 13.8197 TIMING: 2837800 CPU: 9034.13, 0.00313396/step Wall: 9034.13, 0.00313396/step, 1.88229 hours remaining, 240.550781 MB of memory in use. ENERGY: 2837800 4133.3389 20492.9824 14466.4891 249.6335 -203307.5759 2458.8027 0.0000 0.0000 52104.5303 -109401.7990 299.4455 -161506.3294 -109040.1437 299.4886 -100.0965 -74.0062 759920.2977 13.6227 13.4958 PRESSURE: 2838000 -107.17 170.368 -57.2412 170.368 -346.49 -63.355 -57.2417 -63.355 -676.704 GPRESSURE: 2838000 -99.1591 141.325 -127.642 89.2621 -304.736 -138.146 49.0296 -59.9768 -653.984 PRESSAVG: 2838000 -7.51071 -13.9624 -0.844873 -13.9625 -53.387 7.67315 -0.844911 7.6732 17.6122 GPRESSAVG: 2838000 -8.11823 -13.815 -0.34414 -13.9578 -53.8201 7.96572 -2.6301 8.54202 18.5771 TIMING: 2838000 CPU: 9034.76, 0.00312446/step Wall: 9034.76, 0.00312446/step, 1.87641 hours remaining, 240.550781 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: 2838000 4021.2076 20347.9688 14448.4559 255.5906 -202976.2542 2157.0238 0.0000 0.0000 52194.7424 -109551.2650 299.9639 -161746.0075 -109177.3958 299.6125 -376.7877 -352.6264 762372.2949 -14.4285 -14.4537 PRESSURE: 2838200 -508.301 -93.1663 98.4524 -93.166 -284.282 37.381 98.4525 37.3812 -343.283 GPRESSURE: 2838200 -447.988 2.80201 130.411 -66.7036 -261.553 21.2823 -19.5712 -9.93634 -321.28 PRESSAVG: 2838200 -17.6809 -11.4261 62.1593 -11.4261 -48.1739 7.88828 62.1593 7.88824 -13.0047 GPRESSAVG: 2838200 -18.547 -13.3643 61.2954 -10.7196 -47.5688 7.82953 61.9657 7.37185 -12.5776 TIMING: 2838200 CPU: 9035.38, 0.00312221/step Wall: 9035.38, 0.00312221/step, 1.87489 hours remaining, 240.550781 MB of memory in use. ENERGY: 2838200 4029.2337 20435.0261 14391.4596 243.1869 -203054.9597 2311.2937 0.0000 0.0000 52075.0637 -109569.6960 299.2761 -161644.7596 -109203.4741 298.9731 -378.6218 -343.6071 763208.1716 -26.2865 -26.2312 PRESSURE: 2838400 42.1918 228.779 -508.08 228.778 -64.9761 269.258 -508.079 269.257 -343.192 GPRESSURE: 2838400 146.745 205.209 -553.21 332 -92.1361 246.838 -454.898 228.282 -364.319 PRESSAVG: 2838400 24.4544 -19.0141 -11.225 -19.014 3.14439 45.028 -11.225 45.0281 3.56939 GPRESSAVG: 2838400 24.9562 -19.2933 -10.7368 -18.5321 2.43998 46.1455 -8.16564 44.8878 3.33311 TIMING: 2838400 CPU: 9036.01, 0.00313925/step Wall: 9036.01, 0.00313925/step, 1.88494 hours remaining, 240.550781 MB of memory in use. ENERGY: 2838400 4073.1219 20460.6390 14463.0241 249.8655 -203179.4221 2410.3114 0.0000 0.0000 52161.5247 -109360.9356 299.7730 -161522.4603 -108986.0377 299.5753 -121.9920 -103.2367 760013.3196 10.3894 10.2431 PRESSURE: 2838600 -87.3836 3.70671 59.4375 3.70648 -119.969 39.3068 59.4373 39.3071 -83.9864 GPRESSURE: 2838600 3.06983 38.7662 95.6235 -5.99169 -198.83 97.0711 135.965 -52.8205 -9.82168 PRESSAVG: 2838600 48.938 -0.923656 -27.3609 -0.92365 -26.4446 1.24177 -27.3609 1.24177 0.19532 GPRESSAVG: 2838600 48.8145 0.296448 -28.9174 -2.08898 -27.8483 -1.27929 -29.1194 4.35703 1.58413 TIMING: 2838600 CPU: 9036.64, 0.00313981/step Wall: 9036.64, 0.00313981/step, 1.8851 hours remaining, 240.550781 MB of memory in use. ENERGY: 2838600 3951.5534 20410.6363 14496.8271 227.0595 -203260.7625 2776.4990 0.0000 0.0000 52044.1275 -109354.0596 299.0983 -161398.1871 -108986.2683 299.1022 -97.1131 -68.5274 761697.4075 7.5629 7.5168 PRESSURE: 2838800 -49.732 200.13 -38.759 200.13 77.3404 -73.9233 -38.7587 -73.9238 -183.3 GPRESSURE: 2838800 -7.60461 183.828 1.1577 78.0506 111.989 -6.7128 48.0169 -100.093 -176.644 PRESSAVG: 2838800 3.81302 -9.40368 -15.0931 -9.40371 -36.1747 23.5782 -15.0931 23.5781 -5.22789 GPRESSAVG: 2838800 4.12585 -7.68146 -14.4053 -10.4948 -35.1471 26.9527 -13.4206 20.6519 -6.90942 TIMING: 2838800 CPU: 9037.27, 0.00314513/step Wall: 9037.27, 0.00314513/step, 1.88812 hours remaining, 240.550781 MB of memory in use. ENERGY: 2838800 3985.2393 20463.3298 14416.7424 224.0780 -203058.2384 2539.1908 0.0000 0.0000 52004.4361 -109425.2219 298.8702 -161429.6579 -109065.7802 299.0056 -51.8971 -24.0866 763049.3776 -12.5299 -12.6436 PRESSURE: 2839000 -672.503 362.622 -167.321 362.622 -290.411 6.4929 -167.323 6.49351 63.1537 GPRESSURE: 2839000 -587.688 346.421 -243.168 413.642 -301.182 -87.2191 -66.8769 16.095 81.8566 PRESSAVG: 2839000 9.32138 69.6823 -28.6113 69.6823 -46.3006 34.9405 -28.6113 34.9405 -19.1278 GPRESSAVG: 2839000 9.76159 71.1925 -27.1044 70.1162 -47.5509 32.8508 -28.2596 35.0558 -18.0206 TIMING: 2839000 CPU: 9037.89, 0.00314102/step Wall: 9037.89, 0.00314102/step, 1.88549 hours remaining, 240.550781 MB of memory in use. ENERGY: 2839000 3954.4932 20503.9118 14469.6239 258.7825 -203074.7732 2229.2599 0.0000 0.0000 52206.0043 -109452.6975 300.0286 -161658.7018 -109090.9201 299.3996 -299.9200 -269.0045 761628.2060 -18.7023 -18.6033 PRESSURE: 2839200 119.651 89.5459 80.9268 89.5453 -196.809 158.026 80.9273 158.026 -67.6894 GPRESSURE: 2839200 106.22 84.1374 59.6989 70.2194 -64.2481 36.1385 -58.898 110.858 -105.245 PRESSAVG: 2839200 50.0756 8.81277 -28.2477 8.81276 -60.5844 -20.4604 -28.2477 -20.4604 -19.7751 GPRESSAVG: 2839200 48.0506 5.70131 -28.9592 9.95377 -59.0765 -22.0934 -32.2942 -17.5977 -19.4827 TIMING: 2839200 CPU: 9038.52, 0.00313891/step Wall: 9038.52, 0.00313891/step, 1.88404 hours remaining, 240.550781 MB of memory in use. ENERGY: 2839200 3978.4711 20599.7461 14497.8660 260.3973 -203561.4872 2435.9313 0.0000 0.0000 52086.8721 -109702.2034 299.3440 -161789.0755 -109341.5773 299.5405 -48.2825 -21.0909 761520.0597 -10.0946 -10.1696 PRESSURE: 2839400 272.066 140.226 -140.433 140.226 -51.8256 87.4676 -140.433 87.4687 28.4205 GPRESSURE: 2839400 369.542 209.165 -195.719 55.3719 -101.216 36.9157 -95.7209 122.304 39.8917 PRESSAVG: 2839400 -8.78328 -0.980593 3.32583 -0.980601 -5.9011 29.6021 3.32586 29.6021 11.3072 GPRESSAVG: 2839400 -7.07542 1.35269 0.867959 -1.312 -5.96832 30.7069 4.51186 29.9575 9.62889 TIMING: 2839400 CPU: 9039.15, 0.00314143/step Wall: 9039.15, 0.00314143/step, 1.88538 hours remaining, 240.550781 MB of memory in use. ENERGY: 2839400 3987.3925 20489.4876 14435.2554 244.0085 -203470.1880 2626.2251 0.0000 0.0000 52172.0602 -109515.7587 299.8335 -161687.8189 -109150.6247 298.8714 82.8871 102.7394 761358.3755 -1.1257 -1.1383 PRESSURE: 2839600 333.076 192.381 29.6788 192.38 -7.64064 -192.647 29.6794 -192.646 309.161 GPRESSURE: 2839600 364.947 104.548 0.111708 169.437 28.6208 -177.702 -0.779889 -165.302 333.409 PRESSAVG: 2839600 67.113 22.4382 -9.35458 22.4382 -78.1895 22.485 -9.35458 22.485 8.98355 GPRESSAVG: 2839600 67.1411 21.8397 -7.88162 22.1187 -78.4162 23.8927 -7.52502 16.6571 8.74092 TIMING: 2839600 CPU: 9039.78, 0.00315157/step Wall: 9039.78, 0.00315157/step, 1.89129 hours remaining, 240.550781 MB of memory in use. ENERGY: 2839600 3964.4080 20592.0753 14454.2267 237.7532 -203507.6526 2463.2808 0.0000 0.0000 52189.7334 -109606.1753 299.9351 -161795.9087 -109239.8214 299.1223 211.5322 242.3254 761185.8386 -0.6976 -0.8447 PRESSURE: 2839800 19.7919 34.3549 91.7573 34.3555 -260.185 150.367 91.7578 150.367 -57.1 GPRESSURE: 2839800 110.125 53.759 125.94 -20.8589 -240.277 181.459 137.922 111.081 -68.3233 PRESSAVG: 2839800 61.0782 26.404 -21.1154 26.4039 -54.7857 -18.191 -21.1154 -18.191 -5.74404 GPRESSAVG: 2839800 60.1936 26.2195 -19.9928 25.5675 -54.6148 -18.102 -22.482 -16.1864 -4.81881 TIMING: 2839800 CPU: 9040.41, 0.00315546/step Wall: 9040.41, 0.00315546/step, 1.89345 hours remaining, 240.550781 MB of memory in use. ENERGY: 2839800 3993.3319 20497.0754 14437.3674 241.1416 -203317.7721 2515.4464 0.0000 0.0000 51935.7687 -109697.6406 298.4756 -161633.4094 -109339.2949 299.0081 -99.1643 -66.1587 760618.7692 0.1828 0.2533 PRESSURE: 2840000 -315.86 38.7465 -201.821 38.7465 -284.115 50.138 -201.821 50.1384 -247.129 GPRESSURE: 2840000 -302.443 -50.5441 -216.025 86.7635 -269.115 22.6701 -137.322 170.848 -187.818 PRESSAVG: 2840000 51.6648 10.7831 -1.77045 10.7831 -29.3745 -0.248444 -1.77045 -0.248466 12.7856 GPRESSAVG: 2840000 51.1885 10.6873 -2.17783 11.1786 -28.3682 -0.994207 0.264608 1.91658 12.1009 TIMING: 2840000 CPU: 9041.05, 0.00316896/step Wall: 9041.05, 0.00316896/step, 1.90137 hours remaining, 240.550781 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: 2840000 4010.5112 20660.3926 14466.0006 251.4196 -202947.0246 2079.8400 0.0000 0.0000 52049.2029 -109429.6578 299.1275 -161478.8607 -109062.3791 299.2765 -282.3680 -253.1251 761939.8287 11.6920 11.6404 PRESSURE: 2840200 -180.002 -130.456 -172.959 -130.457 125.756 0.546297 -172.959 0.546883 -452.385 GPRESSURE: 2840200 -109.172 -132.957 -134.099 -222.981 151.842 -6.73032 -143.947 -58.7175 -470.145 PRESSAVG: 2840200 20.1571 0.205032 -16.8634 0.205035 -43.0988 7.09272 -16.8634 7.09281 3.47756 GPRESSAVG: 2840200 21.4186 -0.712389 -16.0948 2.55178 -44.7126 8.50812 -20.7067 5.19447 3.70991 TIMING: 2840200 CPU: 9041.68, 0.00316342/step Wall: 9041.68, 0.00316342/step, 1.89787 hours remaining, 240.550781 MB of memory in use. ENERGY: 2840200 3954.0003 20549.5048 14386.4050 256.2895 -203034.3874 2343.7634 0.0000 0.0000 52086.2862 -109458.1381 299.3406 -161544.4243 -109092.5865 299.1280 -168.8772 -142.4917 762468.1633 -6.4880 -6.5280 LDB: ============= START OF LOAD BALANCING ============== 9054.13 LDB: ============== END OF LOAD BALANCING =============== 9054.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9054.13 LDB: ============= START OF LOAD BALANCING ============== 9054.45 LDB: Largest compute 7059 load 0.034204 is 17.5% of average load 0.195233 LDB: Average compute 0.004407 is 2.3% of average load 0.195233 LDB: TIME 9054.45 LOAD: AVG 0.195233 MAX 0.215745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 9054.45 LOAD: AVG 0.195233 MAX 0.215745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 9054.45 LOAD: AVG 0.195233 MAX 0.215745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 9054.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9054.46 PRESSURE: 2840400 58.6698 -108.115 -34.5196 -108.115 -458.487 185.512 -34.5194 185.511 -267.723 GPRESSURE: 2840400 -23.1131 -53.5745 -82.722 -91.8736 -311.343 175.314 39.0386 144.481 -217.115 PRESSAVG: 2840400 45.7305 -64.0115 21.937 -64.0114 -32.3644 -46.2752 21.9369 -46.2751 5.78047 GPRESSAVG: 2840400 44.036 -62.3267 21.6687 -64.9954 -31.2614 -48.0374 24.0515 -44.6332 6.34467 TIMING: 2840400 CPU: 9042.32, 0.00322027/step Wall: 9042.32, 0.00322027/step, 1.9318 hours remaining, 240.917969 MB of memory in use. ENERGY: 2840400 4069.9543 20477.7628 14391.7137 249.3389 -203282.5403 2290.4508 0.0000 0.0000 52328.9304 -109474.3894 300.7351 -161803.3198 -109111.4320 299.2521 -222.5133 -183.8570 761142.1187 6.3822 6.3731 PRESSURE: 2840600 201.188 130.831 -175.848 130.831 43.3887 -106.483 -175.849 -106.483 -154.777 GPRESSURE: 2840600 191.107 63.093 -139.482 202.918 48.9421 -76.8684 -115.096 64.3112 -65.219 PRESSAVG: 2840600 28.3609 16.2655 -3.9093 16.2655 -6.20624 -29.8344 -3.90929 -29.8344 3.45103 GPRESSAVG: 2840600 29.4177 14.9854 -4.40374 17.0704 -7.92116 -28.1979 -4.97804 -29.4861 3.60488 TIMING: 2840600 CPU: 9042.96, 0.00317145/step Wall: 9042.96, 0.00317145/step, 1.90234 hours remaining, 240.917969 MB of memory in use. ENERGY: 2840600 3954.0986 20432.8593 14452.9451 255.2063 -203331.2434 2511.5154 0.0000 0.0000 52135.8598 -109588.7589 299.6255 -161724.6187 -109220.7363 299.1211 29.9333 58.2767 761121.8670 8.5352 8.3671 PRESSURE: 2840800 -78.5633 251.329 -195.137 251.33 167.617 143.808 -195.136 143.807 414.593 GPRESSURE: 2840800 -43.2037 266.239 -242.416 113.176 250.472 147.551 -101.213 -33.4293 386.329 PRESSAVG: 2840800 -7.30851 2.70739 8.3545 2.70744 -13.4243 -17.4229 8.35453 -17.4229 -10.6786 GPRESSAVG: 2840800 -6.54903 2.13824 9.38942 3.73601 -12.9803 -18.0953 8.2177 -19.5537 -11.9183 TIMING: 2840800 CPU: 9043.59, 0.00315758/step Wall: 9043.59, 0.00315758/step, 1.89385 hours remaining, 240.917969 MB of memory in use. ENERGY: 2840800 4029.1987 20603.0138 14427.6030 239.5919 -203597.2945 2604.0007 0.0000 0.0000 52196.9847 -109496.9017 299.9768 -161693.8864 -109142.9496 299.3315 167.8823 197.8657 759920.2112 -10.4705 -10.4825 PRESSURE: 2841000 -133.476 -92.1745 -382.184 -92.174 66.2403 -37.5566 -382.184 -37.5563 -62.2304 GPRESSURE: 2841000 -148.873 -141.172 -338.19 -67.4077 176.348 -49.8733 -454.285 73.3434 -72.6602 PRESSAVG: 2841000 -18.1228 7.64165 -46.2079 7.64153 37.0999 54.931 -46.2079 54.931 -3.27188 GPRESSAVG: 2841000 -19.2479 9.80567 -46.5949 2.88005 38.7099 54.4589 -45.7599 57.2078 -3.93071 TIMING: 2841000 CPU: 9044.22, 0.00315293/step Wall: 9044.22, 0.00315293/step, 1.89088 hours remaining, 240.917969 MB of memory in use. ENERGY: 2841000 3991.9450 20435.7228 14482.1827 238.2434 -203005.0423 2369.3144 0.0000 0.0000 51985.1492 -109502.4847 298.7594 -161487.6340 -109142.6405 299.6500 -43.1555 -15.0618 760623.7391 5.2351 5.1771 PRESSURE: 2841200 48.896 -115.373 97.2726 -115.373 133.856 -32.0491 97.2731 -32.0502 -227.921 GPRESSURE: 2841200 186.715 -139.515 15.776 -40.0009 18.8017 -27.4459 15.5769 -52.7444 -177.171 PRESSAVG: 2841200 -4.17978 -4.5265 -11.6101 -4.52642 0.440416 25.1429 -11.6101 25.1429 -3.48683 GPRESSAVG: 2841200 -3.39555 -4.75214 -11.8832 -0.427694 -2.07908 24.2741 -11.8701 25.2352 -1.65038 TIMING: 2841200 CPU: 9044.85, 0.00315818/step Wall: 9044.85, 0.00315818/step, 1.89385 hours remaining, 240.917969 MB of memory in use. ENERGY: 2841200 3995.2478 20570.1725 14450.8590 262.9309 -203470.7308 2515.0704 0.0000 0.0000 52242.1882 -109434.2619 300.2366 -161676.4501 -109080.3824 299.1404 -15.0562 9.4487 761073.7743 -2.4087 -2.3750 PRESSURE: 2841400 2.82688 -106.638 -75.9778 -106.638 38.9813 -64.9547 -75.9776 -64.9551 441.391 GPRESSURE: 2841400 5.02057 -19.9439 -175.206 -130.496 106.773 -59.8817 -21.7088 -54.4155 441.051 PRESSAVG: 2841400 20.6633 -38.163 2.18064 -38.163 -49.6147 51.6502 2.18071 51.6502 -3.24711 GPRESSAVG: 2841400 20.6951 -39.6591 1.42493 -38.8182 -48.6386 52.4438 2.76058 50.6484 -4.21886 TIMING: 2841400 CPU: 9045.48, 0.0031482/step Wall: 9045.48, 0.0031482/step, 1.88769 hours remaining, 240.917969 MB of memory in use. ENERGY: 2841400 3964.9561 20411.5100 14567.1548 250.8740 -203190.0926 2519.9868 0.0000 0.0000 52019.5389 -109456.0721 298.9570 -161475.6110 -109085.9349 299.3868 161.0665 184.2816 761200.2498 -10.7329 -10.7208 PRESSURE: 2841600 48.1397 28.9551 -78.8653 28.9553 150.311 137.917 -78.8656 137.917 -45.8921 GPRESSURE: 2841600 79.4605 -139.685 -83.2666 47.8181 137.036 130.926 -129.555 69.5307 13.3232 PRESSAVG: 2841600 -47.5248 41.8043 -22.4879 41.8042 75.8376 20.7785 -22.4879 20.7786 14.3346 GPRESSAVG: 2841600 -47.7783 40.3228 -21.7619 41.9614 75.8744 20.5703 -21.7578 21.0369 14.0829 TIMING: 2841600 CPU: 9046.11, 0.00316904/step Wall: 9046.11, 0.00316904/step, 1.90001 hours remaining, 240.917969 MB of memory in use. ENERGY: 2841600 4010.0646 20660.7274 14449.2318 261.5137 -203270.3959 2806.0874 0.0000 0.0000 51778.2479 -109304.5232 297.5703 -161082.7710 -108954.8804 299.6557 50.8529 76.6066 762009.9254 14.2158 14.0597 PRESSURE: 2841800 -249.388 69.729 -46.0238 69.7291 316.098 137.629 -46.0229 137.629 243.332 GPRESSURE: 2841800 -124.706 140.662 43.9689 84.076 260.404 131.631 -94.3338 13.6195 267.697 PRESSAVG: 2841800 -71.9274 22.5199 -23.6509 22.5199 43.3573 -16.2962 -23.6509 -16.2962 33.9162 GPRESSAVG: 2841800 -71.5548 23.1135 -23.2439 23.3499 43.0845 -15.5297 -23.2622 -16.8865 33.912 TIMING: 2841800 CPU: 9046.75, 0.00315598/step Wall: 9046.75, 0.00315598/step, 1.89201 hours remaining, 240.917969 MB of memory in use. ENERGY: 2841800 3971.6290 20580.6735 14449.2663 223.3276 -203126.3531 2672.8259 0.0000 0.0000 52020.2728 -109208.3580 298.9612 -161228.6307 -108847.4257 299.8052 103.3476 134.4650 762405.3182 1.7820 1.8139 PRESSURE: 2842000 166.598 112.122 -138.251 112.122 -58.8593 102.058 -138.251 102.058 220.266 GPRESSURE: 2842000 254.331 100.67 -230.982 36.2127 -66.9522 64.2832 -215.952 156.731 204.499 PRESSAVG: 2842000 0.175959 7.26317 -50.43 7.26318 0.979638 -59.8119 -50.43 -59.8119 -1.5165 GPRESSAVG: 2842000 0.465965 7.71105 -49.4029 5.84541 0.729347 -58.4783 -52.0635 -58.8599 -0.876686 TIMING: 2842000 CPU: 9047.38, 0.00316118/step Wall: 9047.38, 0.00316118/step, 1.89495 hours remaining, 240.917969 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: 2842000 4002.6117 20475.8730 14470.9663 246.6418 -203557.7149 2806.1333 0.0000 0.0000 52324.9850 -109230.5037 300.7124 -161555.4887 -108860.7510 300.1023 109.3347 130.6261 760931.3011 -0.1203 0.1062 PRESSURE: 2842200 236.416 75.965 -119.075 75.9646 -103.061 -11.3637 -119.075 -11.3637 200.525 GPRESSURE: 2842200 188.317 44.5273 -150.178 -30.9017 -48.2308 -44.1495 -47.2646 57.9048 287.707 PRESSAVG: 2842200 -36.297 19.0876 26.8256 19.0876 14.7705 -37.2931 26.8256 -37.2932 -8.21716 GPRESSAVG: 2842200 -35.5554 18.5464 25.5859 19.6905 14.6979 -38.7176 27.7181 -37.738 -9.19118 TIMING: 2842200 CPU: 9048.01, 0.00316506/step Wall: 9048.01, 0.00316506/step, 1.8971 hours remaining, 240.917969 MB of memory in use. ENERGY: 2842200 3939.8216 20512.6524 14457.5356 245.7901 -202632.9601 2448.1398 0.0000 0.0000 52056.9532 -108972.0675 299.1720 -161029.0207 -108605.5333 300.1918 111.2934 142.5977 761575.8414 -9.9145 -10.0162 PRESSURE: 2842400 -147.466 -30.1376 9.17594 -30.1372 -39.1787 -52.227 9.17558 -52.2268 -378.7 GPRESSURE: 2842400 -38.0144 106.316 87.577 -113.005 -62.1515 -83.9036 -40.966 2.11504 -380.457 PRESSAVG: 2842400 -17.684 -17.9565 -13.7893 -17.9565 41.4831 39.456 -13.7893 39.456 17.3504 GPRESSAVG: 2842400 -19.3154 -16.1432 -13.651 -18.7688 42.1839 40.2109 -12.0852 39.6186 18.2986 TIMING: 2842400 CPU: 9048.64, 0.00315971/step Wall: 9048.64, 0.00315971/step, 1.89372 hours remaining, 240.917969 MB of memory in use. ENERGY: 2842400 3944.6156 20584.7791 14454.5018 240.7012 -202723.3739 2289.5140 0.0000 0.0000 52392.9999 -108816.2622 301.1033 -161209.2621 -108442.5283 300.3004 -188.4484 -160.2077 763099.8836 13.7165 13.7224 PRESSURE: 2842600 -253.132 8.15144 -235.72 8.15149 35.2715 352.08 -235.72 352.08 -236.125 GPRESSURE: 2842600 -166.879 -34.8768 -226.348 52.9434 -71.6029 229.831 -208.623 367.38 -135.664 PRESSAVG: 2842600 -51.2316 -23.9432 3.49325 -23.9433 -6.32151 -42.0382 3.4933 -42.0382 -2.13718 GPRESSAVG: 2842600 -49.3014 -24.4612 4.74734 -23.2684 -9.10918 -42.9696 0.0770438 -40.6425 -1.2102 TIMING: 2842600 CPU: 9049.28, 0.00318367/step Wall: 9049.28, 0.00318367/step, 1.9079 hours remaining, 240.917969 MB of memory in use. ENERGY: 2842600 3921.7038 20710.7393 14558.8942 253.2368 -202644.9565 2477.5325 0.0000 0.0000 52039.1750 -108683.6748 299.0699 -160722.8498 -108323.0575 300.7527 -151.3284 -124.7155 762738.8064 -19.8968 -19.8736 PRESSURE: 2842800 -281.819 97.7337 -63.6791 97.7333 -183.113 54.5479 -63.6804 54.5476 54.2071 GPRESSURE: 2842800 -240.275 130.896 -43.9961 144.072 -142.795 135.641 -18.7024 17.5355 66.2425 PRESSAVG: 2842800 54.7117 -19.8048 -83.9453 -19.8048 -19.1779 -10.4036 -83.9453 -10.4036 15.3282 GPRESSAVG: 2842800 54.014 -19.0998 -84.0173 -19.4252 -18.5709 -11.1729 -80.936 -11.6191 15.6724 TIMING: 2842800 CPU: 9049.91, 0.00316015/step Wall: 9049.91, 0.00316015/step, 1.89363 hours remaining, 240.917969 MB of memory in use. ENERGY: 2842800 3921.4098 20502.4889 14505.3724 251.8054 -202306.1110 2342.7130 0.0000 0.0000 51895.2260 -108887.0955 298.2426 -160782.3215 -108525.4687 300.3451 -136.9083 -105.6092 763100.8655 16.9540 17.0385 PRESSURE: 2843000 -4.01316 -167.173 -106.176 -167.173 63.238 -101.996 -106.176 -101.998 422.776 GPRESSURE: 2843000 154.103 -241.766 -155.877 -138.41 27.4052 -105.426 -56.9995 -35.0851 389.609 PRESSAVG: 2843000 2.29787 -20.7071 -21.7174 -20.7071 -34.2479 -3.84734 -21.7174 -3.8473 7.91476 GPRESSAVG: 2843000 2.26829 -21.3887 -22.9487 -20.9659 -33.1588 -1.97038 -22.9905 -2.95302 6.91071 TIMING: 2843000 CPU: 9050.55, 0.00317361/step Wall: 9050.55, 0.00317361/step, 1.90152 hours remaining, 240.917969 MB of memory in use. ENERGY: 2843000 4011.7371 20547.1140 14504.7776 233.1517 -202690.3677 2440.3511 0.0000 0.0000 52292.0013 -108661.2349 300.5229 -160953.2361 -108298.0921 300.1818 160.6671 190.3722 761075.3158 -8.0117 -7.9933 PRESSURE: 2843200 -235.756 -47.9215 46.9266 -47.9206 101.443 -163.146 46.9259 -163.147 431.465 GPRESSURE: 2843200 -203.918 36.0508 -16.2061 -49.9434 150.801 -296.923 100.994 -155.946 461.028 PRESSAVG: 2843200 10.0999 -5.77634 -12.9148 -5.77637 1.72059 -0.071553 -12.9148 -0.0715431 -11.666 GPRESSAVG: 2843200 11.7799 -6.07842 -13.658 -5.43339 1.51212 -0.466063 -14.0273 2.25748 -12.7652 TIMING: 2843200 CPU: 9051.17, 0.00313868/step Wall: 9051.17, 0.00313868/step, 1.88042 hours remaining, 240.917969 MB of memory in use. ENERGY: 2843200 3915.2464 20529.6553 14496.4584 241.4561 -202716.4267 2558.9645 0.0000 0.0000 52154.7771 -108819.8688 299.7342 -160974.6459 -108445.2417 300.5650 99.0506 135.9699 762534.9537 0.0515 0.1756 PRESSURE: 2843400 275.786 -22.8786 -53.3435 -22.8785 -117.279 127.899 -53.3434 127.898 -221.385 GPRESSURE: 2843400 286.825 42.3423 -137.182 20.3664 -67.1525 42.7999 -22.0366 233.79 -187.21 PRESSAVG: 2843400 58.9509 18.2159 33.184 18.216 -13.1381 -30.375 33.184 -30.375 -5.49904 GPRESSAVG: 2843400 58.4057 17.5666 33.7853 18.7331 -13.1253 -32.1471 35.7604 -32.146 -4.65476 TIMING: 2843400 CPU: 9051.8, 0.00314787/step Wall: 9051.8, 0.00314787/step, 1.88575 hours remaining, 240.917969 MB of memory in use. ENERGY: 2843400 3927.8797 20385.3624 14508.9146 243.3614 -202883.3152 2327.8383 0.0000 0.0000 52363.2593 -109126.6995 300.9324 -161489.9588 -108759.5530 299.5418 -20.9593 10.8208 759950.2906 13.4379 13.5419 PRESSURE: 2843600 -47.7003 55.6931 97.4617 55.6925 288.614 111.676 97.4605 111.677 99.3543 GPRESSURE: 2843600 4.10461 -34.4138 129.217 -12.5322 225.334 72.0712 -0.0488586 150.609 204.492 PRESSAVG: 2843600 -10.2526 15.2189 -16.0553 15.2189 22.6349 1.84689 -16.0552 1.84689 2.45015 GPRESSAVG: 2843600 -10.9819 17.1809 -16.4484 12.453 22.9649 2.83227 -16.041 -0.409086 2.70247 TIMING: 2843600 CPU: 9052.43, 0.00313456/step Wall: 9052.43, 0.00313456/step, 1.8776 hours remaining, 240.917969 MB of memory in use. ENERGY: 2843600 4002.9650 20440.6158 14579.6245 262.1427 -202700.2572 2405.2476 0.0000 0.0000 51984.8078 -109024.8537 298.7574 -161009.6615 -108665.0434 299.4198 113.4225 144.6438 762165.3710 4.9442 4.8952 PRESSURE: 2843800 -358.462 80.6737 -199.742 80.6732 -168.908 45.757 -199.742 45.7577 131.233 GPRESSURE: 2843800 -388.717 161.955 -104.461 143.954 -107.501 79.6852 -138.179 45.2226 188.996 PRESSAVG: 2843800 -17.9679 -36.8675 -11.2782 -36.8676 3.93765 -24.1374 -11.2783 -24.1375 16.1605 GPRESSAVG: 2843800 -16.9384 -36.7858 -9.20007 -36.1114 3.1784 -25.2691 -14.6315 -22.1917 16.2408 TIMING: 2843800 CPU: 9053.06, 0.0031436/step Wall: 9053.06, 0.0031436/step, 1.88284 hours remaining, 240.917969 MB of memory in use. ENERGY: 2843800 4005.8281 20524.5220 14405.2504 251.3762 -202635.9925 2409.4238 0.0000 0.0000 51994.3614 -109045.2306 298.8123 -161039.5920 -108681.7530 299.6707 -132.0460 -102.4073 763531.3539 0.7101 0.8269 PRESSURE: 2844000 63.2838 49.1501 82.1654 49.1498 206.571 -75.9157 82.1662 -75.9159 -42.3893 GPRESSURE: 2844000 80.719 120.556 -61.7317 -46.091 222.261 20.0232 7.56153 48.4004 7.46309 PRESSAVG: 2844000 -2.73016 35.6743 38.3308 35.6743 15.1473 43.3967 38.3309 43.3967 5.52956 GPRESSAVG: 2844000 -4.37399 35.2946 36.8105 34.9251 17.1826 43.4328 40.1476 43.8267 4.99047 TIMING: 2844000 CPU: 9053.69, 0.00314033/step Wall: 9053.69, 0.00314033/step, 1.88071 hours remaining, 240.917969 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: 2844000 3949.1247 20448.6098 14523.6340 274.7126 -203038.5709 2553.9508 0.0000 0.0000 52269.0657 -109019.4731 300.3910 -161288.5388 -108658.9257 299.6249 75.8220 103.4809 761263.0116 5.9822 5.9330 PRESSURE: 2844200 -244.543 -52.5682 -7.96586 -52.5689 160.876 281.157 -7.96612 281.156 81.9446 GPRESSURE: 2844200 -206.698 -84.733 13.6584 25.2804 247.578 353.507 -91.8679 250.63 67.4251 PRESSAVG: 2844200 -11.0887 -11.8023 -14.1049 -11.8024 24.7751 1.58241 -14.105 1.58247 -2.14048 GPRESSAVG: 2844200 -10.935 -10.7254 -14.638 -12.0991 24.1129 3.25107 -14.0597 3.02621 -1.82404 TIMING: 2844200 CPU: 9054.32, 0.00316126/step Wall: 9054.32, 0.00316126/step, 1.89307 hours remaining, 240.917969 MB of memory in use. ENERGY: 2844200 4007.7097 20490.2962 14416.4798 235.2362 -202794.0088 2338.0987 0.0000 0.0000 52191.6861 -109114.5020 299.9463 -161306.1881 -108754.1318 299.8747 -0.5742 36.1016 760836.7116 3.8487 3.7846 LDB: ============= START OF LOAD BALANCING ============== 9066.77 LDB: ============== END OF LOAD BALANCING =============== 9066.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9066.77 LDB: ============= START OF LOAD BALANCING ============== 9067.09 LDB: Largest compute 7043 load 0.034022 is 17.4% of average load 0.195465 LDB: Average compute 0.004374 is 2.2% of average load 0.195465 LDB: TIME 9067.09 LOAD: AVG 0.195465 MAX 0.21553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.984 MB LDB: TIME 9067.09 LOAD: AVG 0.195465 MAX 0.21553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.984 MB LDB: TIME 9067.09 LOAD: AVG 0.195465 MAX 0.21553 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.984 MB LDB: ============== END OF LOAD BALANCING =============== 9067.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9067.1 PRESSURE: 2844400 125.609 16.5983 -156.772 16.5992 -245.004 -80.1164 -156.771 -80.1169 -156.007 GPRESSURE: 2844400 150.794 91.4453 -153.793 -31.0664 -210.08 -3.18931 -81.1729 -114.938 -119.04 PRESSAVG: 2844400 4.30925 -39.8167 -47.0635 -39.8167 -56.5133 -2.91182 -47.0635 -2.91186 -14.9261 GPRESSAVG: 2844400 3.43231 -41.9136 -46.0897 -38.5641 -55.9547 -2.16259 -47.3432 -3.78245 -14.8517 TIMING: 2844400 CPU: 9054.96, 0.00320862/step Wall: 9054.96, 0.00320862/step, 1.92125 hours remaining, 240.808594 MB of memory in use. ENERGY: 2844400 3935.3811 20691.2516 14548.8950 246.4201 -203115.3941 2504.2745 0.0000 0.0000 51946.4277 -109242.7441 298.5368 -161189.1718 -108888.7358 299.7513 -91.8008 -59.4418 762232.5430 -22.3767 -22.4580 PRESSURE: 2844600 3.73593 248.568 160.587 248.568 -202.259 -22.8755 160.586 -22.8755 25.776 GPRESSURE: 2844600 24.1692 236.222 46.0711 185.873 -149.069 3.1697 233.9 -44.0634 31.744 PRESSAVG: 2844600 43.0665 -30.2918 17.5622 -30.2918 3.27881 -18.7494 17.5622 -18.7495 7.42063 GPRESSAVG: 2844600 45.0221 -30.4527 18.5285 -30.3128 2.25274 -19.7917 18.0174 -20.3001 5.93789 TIMING: 2844600 CPU: 9055.59, 0.00314386/step Wall: 9055.59, 0.00314386/step, 1.8823 hours remaining, 240.808594 MB of memory in use. ENERGY: 2844600 3941.5583 20422.7483 14471.3691 253.3367 -203266.7341 2822.0579 0.0000 0.0000 52127.3871 -109228.2767 299.5768 -161355.6638 -108866.7558 299.5150 -57.5822 -31.0519 762406.6532 17.9220 17.7376 PRESSURE: 2844800 41.282 99.0665 -12.5711 99.0665 -15.2068 -49.4551 -12.571 -49.4551 117.395 GPRESSURE: 2844800 50.5866 -10.9648 12.3608 80.5251 105.659 52.9359 -50.7448 -90.1104 43.6371 PRESSAVG: 2844800 0.830992 -59.0168 -13.6507 -59.0168 -10.5374 -35.9244 -13.6507 -35.9244 -15.11 GPRESSAVG: 2844800 -0.738352 -59.3371 -16.1672 -58.6117 -9.21832 -35.1258 -13.9648 -34.0849 -14.6032 TIMING: 2844800 CPU: 9056.22, 0.00314074/step Wall: 9056.22, 0.00314074/step, 1.88026 hours remaining, 240.808594 MB of memory in use. ENERGY: 2844800 3984.3523 20542.5714 14484.8691 239.7346 -202917.2186 2332.5582 0.0000 0.0000 52236.4080 -109096.7249 300.2034 -161333.1329 -108740.3974 299.6406 47.8233 66.6277 762002.7111 -8.2721 -8.1866 PRESSURE: 2845000 -15.289 -303.638 -154.401 -303.638 133.112 -95.7986 -154.401 -95.7992 353.756 GPRESSURE: 2845000 68.9225 -183.7 -8.81169 -378.985 120.822 -146.983 -390.164 -101.489 370.156 PRESSAVG: 2845000 -29.3545 -9.77755 -20.8518 -9.77752 62.6476 -13.7836 -20.8518 -13.7835 3.27851 GPRESSAVG: 2845000 -29.875 -6.37398 -18.6762 -10.8488 61.6225 -15.8859 -19.6471 -14.4376 4.9236 TIMING: 2845000 CPU: 9056.85, 0.00316227/step Wall: 9056.85, 0.00316227/step, 1.89297 hours remaining, 240.808594 MB of memory in use. ENERGY: 2845000 3958.3445 20544.6183 14503.5804 233.8132 -203555.2233 2814.4633 0.0000 0.0000 52361.6795 -109138.7241 300.9233 -161500.4036 -108766.3544 299.9854 157.1930 186.6334 760538.2671 12.1905 12.2237 PRESSURE: 2845200 -209.349 -19.8232 -70.4067 -19.8237 -262.636 -167.798 -70.4073 -167.797 420.476 GPRESSURE: 2845200 -155.656 -52.9172 -75.6807 60.7673 -207.658 -134.566 -55.9908 -110.705 414.329 PRESSAVG: 2845200 -19.753 55.7788 43.3459 55.7788 -44.365 -0.0122501 43.3458 -0.0122543 17.8311 GPRESSAVG: 2845200 -18.746 53.2257 44.0818 57.4648 -44.4291 2.43201 42.7967 -0.350905 16.6987 TIMING: 2845200 CPU: 9057.48, 0.00313321/step Wall: 9057.48, 0.00313321/step, 1.8754 hours remaining, 240.808594 MB of memory in use. ENERGY: 2845200 3939.8303 20492.1203 14565.8658 248.3495 -202983.2379 2305.8088 0.0000 0.0000 52131.8398 -109299.4234 299.6024 -161431.2632 -108928.7068 299.8383 -17.1695 17.0051 761879.6044 -15.4290 -15.4922 PRESSURE: 2845400 -305.547 73.6912 178.758 73.6915 -77.5728 -29.3542 178.759 -29.3541 -198.744 GPRESSURE: 2845400 -248.336 108.876 151.207 127.866 -56.5156 42.6511 256.144 96.0645 -187.178 PRESSAVG: 2845400 -7.86647 -1.27479 47.059 -1.27477 -15.2099 -11.725 47.059 -11.725 -8.15027 GPRESSAVG: 2845400 -8.03178 -1.96003 47.3272 -1.96781 -14.5376 -12.4789 46.783 -11.8214 -8.42185 TIMING: 2845400 CPU: 9058.1, 0.00313673/step Wall: 9058.1, 0.00313673/step, 1.87733 hours remaining, 240.808594 MB of memory in use. ENERGY: 2845400 3961.0907 20642.5885 14581.1935 245.4116 -203227.8466 2484.8930 0.0000 0.0000 51923.0702 -109389.5991 298.4026 -161312.6694 -109034.2408 299.5363 -193.9543 -164.0097 761282.9134 -10.4089 -10.3304 PRESSURE: 2845600 -217.964 174.085 -293.043 174.086 -204.485 -68.9846 -293.043 -68.9846 249.546 GPRESSURE: 2845600 -192.125 101.101 -337.303 108.94 -87.7774 68.4569 -274.217 -29.4669 180.814 PRESSAVG: 2845600 -26.912 12.2781 -13.3777 12.2781 8.78006 -26.7344 -13.3777 -26.7344 18.2819 GPRESSAVG: 2845600 -25.285 12.7882 -16.4087 10.4634 7.62001 -25.7953 -11.9208 -25.0451 17.5967 TIMING: 2845600 CPU: 9058.73, 0.0031183/step Wall: 9058.73, 0.0031183/step, 1.86613 hours remaining, 240.808594 MB of memory in use. ENERGY: 2845600 4051.9775 20509.5525 14500.8793 240.3235 -203642.9258 2752.1769 0.0000 0.0000 52351.6989 -109236.3171 300.8659 -161588.0160 -108863.9110 299.4578 -57.6341 -33.0293 761278.7813 0.0500 -0.0228 PRESSURE: 2845800 339.824 -16.992 -3.08768 -16.9917 131.382 -106.514 -3.08711 -106.513 487.14 GPRESSURE: 2845800 349.165 -53.5538 -59.5101 30.6009 197.306 -226.045 -31.3723 -79.0402 526.32 PRESSAVG: 2845800 -0.248675 24.4502 36.3031 24.4502 -16.3488 -25.9968 36.3031 -25.9968 -6.7772 GPRESSAVG: 2845800 -1.42925 25.7951 38.1903 23.4066 -14.5451 -28.4965 33.2843 -26.4187 -7.06439 TIMING: 2845800 CPU: 9059.35, 0.00310175/step Wall: 9059.35, 0.00310175/step, 1.85605 hours remaining, 240.808594 MB of memory in use. ENERGY: 2845800 4030.3145 20523.0429 14472.0575 242.3125 -203112.5904 2629.8454 0.0000 0.0000 52172.0996 -109042.9182 299.8338 -161215.0178 -108685.6479 300.0860 319.4487 357.5973 762277.7040 -7.7916 -7.6796 PRESSURE: 2846000 123.76 58.2891 101.733 58.2893 165.026 25.9963 101.734 25.9959 -99.5669 GPRESSURE: 2846000 106.341 117.154 133.884 3.58181 259.437 82.2022 -140.356 -52.853 -92.7965 PRESSAVG: 2846000 24.1939 47.9603 -15.178 47.9603 -37.2553 -49.5284 -15.178 -49.5284 13.3903 GPRESSAVG: 2846000 24.1303 46.7737 -15.4863 52.1945 -37.485 -46.4431 -13.4212 -51.3963 13.7982 TIMING: 2846000 CPU: 9059.97, 0.00312162/step Wall: 9059.97, 0.00312162/step, 1.86777 hours remaining, 240.808594 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: 2846000 4045.0928 20430.9994 14495.1286 235.0567 -203435.3007 2924.8081 0.0000 0.0000 52055.8520 -109248.3632 299.1657 -161304.2152 -108881.3635 299.5223 63.0733 90.9939 763036.7894 0.1097 0.1478 PRESSURE: 2846200 -170.575 24.5503 321.903 24.5513 -171.407 242.991 321.904 242.991 -102.919 GPRESSURE: 2846200 -175.355 121.422 274.691 142.096 -114.757 320.438 297.034 104.155 -71.0052 PRESSAVG: 2846200 24.638 59.1664 17.7171 59.1664 13.7137 3.80811 17.717 3.80806 -27.1893 GPRESSAVG: 2846200 23.9075 58.4559 16.9577 57.7589 13.279 1.65577 19.1804 5.09589 -26.2555 TIMING: 2846200 CPU: 9060.59, 0.00310785/step Wall: 9060.59, 0.00310785/step, 1.85936 hours remaining, 240.808594 MB of memory in use. ENERGY: 2846200 4004.1693 20589.2464 14518.4569 238.4259 -203245.4862 2515.6788 0.0000 0.0000 52218.6876 -109160.8212 300.1015 -161379.5088 -108801.7057 299.5690 -148.3000 -120.3724 761975.5829 3.7208 3.6437 PRESSURE: 2846400 346.025 -127.595 -25.0093 -127.594 91.7712 -195.728 -25.0095 -195.727 90.6203 GPRESSURE: 2846400 238.307 -142.181 -22.6639 -60.4101 214.757 -142.413 -140.123 -142.15 152.405 PRESSAVG: 2846400 -47.2664 56.263 46.4925 56.263 -14.8402 -30.1887 46.4925 -30.1888 -0.153089 GPRESSAVG: 2846400 -47.0014 55.3401 46.4551 58.0067 -15.1407 -29.9192 44.2367 -31.4358 -0.533702 TIMING: 2846400 CPU: 9061.22, 0.00312267/step Wall: 9061.22, 0.00312267/step, 1.86805 hours remaining, 240.808594 MB of memory in use. ENERGY: 2846400 3985.4110 20536.7248 14522.8777 259.2193 -203163.2860 2784.4432 0.0000 0.0000 51864.3882 -109210.2218 298.0654 -161074.6100 -108859.6488 299.4581 176.1387 201.8233 761018.2654 -20.7532 -20.8919 PRESSURE: 2846600 217.551 -43.1109 -108.579 -43.1105 238.207 23.5169 -108.58 23.5161 74.1414 GPRESSURE: 2846600 261.792 84.6436 -174.404 28.2609 302.807 -32.3212 -25.9946 12.3468 64.1917 PRESSAVG: 2846600 30.0737 -1.75984 -11.0832 -1.75977 9.23949 -0.184253 -11.0831 -0.184211 3.92145 GPRESSAVG: 2846600 30.395 -0.0794802 -11.6514 -3.24121 10.1054 -0.78438 -9.36201 2.08215 3.18029 TIMING: 2846600 CPU: 9061.84, 0.00310745/step Wall: 9061.84, 0.00310745/step, 1.85877 hours remaining, 240.808594 MB of memory in use. ENERGY: 2846600 3987.9630 20494.7675 14597.1441 250.9873 -203245.1661 2551.9625 0.0000 0.0000 52449.9875 -108912.3542 301.4308 -161362.3417 -108548.8232 300.2384 176.6330 209.5970 760052.0916 14.4116 14.5602 PRESSURE: 2846800 396.699 -79.7511 242.823 -79.7518 228.172 -0.892663 242.823 -0.892921 -11.3071 GPRESSURE: 2846800 403.577 -15.1802 132.672 -195.053 258.532 -12.7641 179.869 -27.6882 20.3947 PRESSAVG: 2846800 54.2023 56.1179 -55.0115 56.1179 -16.5089 10.0774 -55.0114 10.0773 11.0372 GPRESSAVG: 2846800 54.9573 55.7774 -56.0923 54.4863 -17.6882 10.9613 -54.869 8.74391 11.6663 TIMING: 2846800 CPU: 9062.46, 0.00311515/step Wall: 9062.46, 0.00311515/step, 1.86321 hours remaining, 240.808594 MB of memory in use. ENERGY: 2846800 3950.9962 20755.6312 14573.9587 235.9560 -203457.5504 2765.2864 0.0000 0.0000 52237.0154 -108938.7066 300.2068 -161175.7220 -108580.4568 300.5941 204.5214 227.5013 758438.5833 16.2435 16.3118 PRESSURE: 2847000 196.247 -112.142 56.8478 -112.142 333.68 24.9061 56.8483 24.9072 656.809 GPRESSURE: 2847000 196.3 -169.237 6.71059 1.35511 416.775 71.5478 95.0213 20.8815 651.615 PRESSAVG: 2847000 10.0652 -52.6632 16.6852 -52.6633 -13.752 29.4982 16.6851 29.4982 -9.35327 GPRESSAVG: 2847000 9.103 -53.6064 17.3996 -51.7112 -12.5041 28.7667 16.6459 31.8541 -8.65609 TIMING: 2847000 CPU: 9063.09, 0.00312195/step Wall: 9063.09, 0.00312195/step, 1.8671 hours remaining, 240.808594 MB of memory in use. ENERGY: 2847000 3996.4996 20550.4770 14512.5913 267.3262 -203378.3553 2715.6805 0.0000 0.0000 52345.8736 -108989.9072 300.8325 -161335.7808 -108622.8430 300.5375 395.5791 421.5634 762783.4923 -4.3467 -4.0191 PRESSURE: 2847200 -59.7933 46.1174 -293.865 46.1181 -117.62 -117.628 -293.866 -117.628 -112.593 GPRESSURE: 2847200 65.9563 124.655 -312.714 -28.1003 -217.597 -147.058 -152.206 -152.396 -59.1885 PRESSAVG: 2847200 31.7506 -37.7863 -32.8404 -37.7864 -10.6121 16.7449 -32.8404 16.745 -4.53372 GPRESSAVG: 2847200 32.5273 -34.9344 -33.2746 -37.612 -11.0644 14.7635 -31.0276 15.2697 -5.24177 TIMING: 2847200 CPU: 9063.71, 0.0031185/step Wall: 9063.71, 0.0031185/step, 1.86486 hours remaining, 240.808594 MB of memory in use. ENERGY: 2847200 4023.7209 20701.0954 14549.6120 270.9343 -203136.8452 2465.1830 0.0000 0.0000 52153.0868 -108973.2127 299.7245 -161126.2995 -108604.4807 300.2425 -96.6686 -70.2765 762340.8518 5.5349 5.4071 PRESSURE: 2847400 223.503 -88.2098 -79.4984 -88.2103 351.829 109.584 -79.4985 109.585 470.832 GPRESSURE: 2847400 353.695 -111.117 -200.088 -122.872 319.769 216.118 -42.5605 40.1403 465.116 PRESSAVG: 2847400 -5.68278 -49.4933 -18.567 -49.4932 0.67318 29.6691 -18.567 29.669 16.8982 GPRESSAVG: 2847400 -5.7192 -51.9613 -18.1175 -49.6136 0.575771 32.8799 -20.783 31.9867 16.9821 TIMING: 2847400 CPU: 9064.33, 0.00311046/step Wall: 9064.33, 0.00311046/step, 1.85988 hours remaining, 240.808594 MB of memory in use. ENERGY: 2847400 4007.8632 20594.3991 14511.7415 246.8165 -203608.6707 3064.8777 0.0000 0.0000 52202.2689 -108980.7039 300.0072 -161182.9728 -108616.0060 300.1733 348.7210 379.5269 762030.1784 3.9629 3.9462 PRESSURE: 2847600 98.774 -66.7156 -193.991 -66.7153 -44.4022 61.1105 -193.991 61.1102 97.5476 GPRESSURE: 2847600 97.0905 -21.0825 -187.036 -118.997 -80.5613 120.505 -245.328 54.1252 234.644 PRESSAVG: 2847600 -61.3289 -62.4211 -15.8698 -62.421 16.3448 -1.98007 -15.8699 -1.97999 -0.925946 GPRESSAVG: 2847600 -60.4819 -61.1378 -14.5635 -62.3855 14.2394 -1.42961 -13.8389 -4.35692 0.630778 TIMING: 2847600 CPU: 9064.96, 0.00311493/step Wall: 9064.96, 0.00311493/step, 1.86238 hours remaining, 240.808594 MB of memory in use. ENERGY: 2847600 3990.2133 20745.3721 14522.3690 238.5717 -203176.5130 2562.9241 0.0000 0.0000 52152.4060 -108964.6569 299.7206 -161117.0628 -108604.7356 300.0509 50.6398 83.7245 762464.9216 -15.3033 -15.2039 PRESSURE: 2847800 337.207 13.2112 -73.1436 13.21 -65.8856 -148.758 -73.1428 -148.757 157.263 GPRESSURE: 2847800 319.24 -43.5694 -29.0305 68.8741 81.7216 -142.764 -102.704 -95.0448 122.228 PRESSAVG: 2847800 2.79921 12.9332 -24.3594 12.9332 -23.4527 -32.1946 -24.3594 -32.1946 6.01362 GPRESSAVG: 2847800 1.75409 12.2394 -24.6691 14.0536 -21.1338 -32.9677 -24.8364 -32.0468 4.73704 TIMING: 2847800 CPU: 9065.58, 0.00313055/step Wall: 9065.58, 0.00313055/step, 1.87154 hours remaining, 240.808594 MB of memory in use. ENERGY: 2847800 4022.5087 20582.6182 14538.8566 261.0033 -203427.1033 2775.6488 0.0000 0.0000 52421.3815 -108825.0862 301.2664 -161246.4677 -108466.2652 300.3177 142.8616 174.3967 760950.2989 -4.8799 -4.8809 PRESSURE: 2848000 220.604 118.752 177.441 118.752 -199.881 280.588 177.441 280.588 -177.137 GPRESSURE: 2848000 147.712 147.222 249.191 38.9227 -54.1654 180.883 135.082 199.91 -181.793 PRESSAVG: 2848000 -14.1433 54.1765 -26.5776 54.1765 59.9998 -0.535037 -26.5775 -0.535026 12.5694 GPRESSAVG: 2848000 -13.6715 53.2915 -26.7395 52.3897 59.4404 -2.34584 -27.3192 0.978953 12.6251 TIMING: 2848000 CPU: 9066.21, 0.00312649/step Wall: 9066.21, 0.00312649/step, 1.86895 hours remaining, 240.808594 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: 2848000 3942.4747 20407.7136 14519.9174 264.0242 -203192.4253 2609.4266 0.0000 0.0000 52354.6584 -109094.2104 300.8829 -161448.8688 -108726.3449 299.9556 -52.1379 -29.4153 762531.7173 19.4753 19.4647 PRESSURE: 2848200 -511.774 -150.599 167.633 -150.599 28.9625 14.5372 167.634 14.5355 -443.513 GPRESSURE: 2848200 -395.506 -227.776 81.6254 -43.8735 42.6053 -10.3259 203.282 19.9793 -480.666 PRESSAVG: 2848200 -2.67977 105.29 -7.5715 105.29 -50.8815 6.28509 -7.57149 6.28504 4.92136 GPRESSAVG: 2848200 -2.09547 105.287 -7.2546 105.161 -51.1836 6.8163 -7.43851 4.01503 4.46315 TIMING: 2848200 CPU: 9066.83, 0.00311914/step Wall: 9066.83, 0.00311914/step, 1.86438 hours remaining, 240.808594 MB of memory in use. ENERGY: 2848200 4006.1777 20696.1462 14520.0362 234.3818 -202857.1383 2399.4288 0.0000 0.0000 51961.2864 -109039.6814 298.6222 -161000.9677 -108675.6116 299.8396 -308.7748 -277.8555 762445.6159 -16.2133 -16.2720 LDB: ============= START OF LOAD BALANCING ============== 9079.28 LDB: ============== END OF LOAD BALANCING =============== 9079.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9079.28 LDB: ============= START OF LOAD BALANCING ============== 9079.6 LDB: Largest compute 7072 load 0.035304 is 18.1% of average load 0.195373 LDB: Average compute 0.004376 is 2.2% of average load 0.195373 LDB: TIME 9079.6 LOAD: AVG 0.195373 MAX 0.215382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.125 MB LDB: TIME 9079.6 LOAD: AVG 0.195373 MAX 0.215382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.164 MB LDB: TIME 9079.6 LOAD: AVG 0.195373 MAX 0.215382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.164 MB LDB: ============== END OF LOAD BALANCING =============== 9079.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9079.61 PRESSURE: 2848400 208.999 75.2711 70.3951 75.2719 373.866 -21.9922 70.395 -21.9939 18.662 GPRESSURE: 2848400 273.774 -1.12931 -19.234 38.3422 329.863 27.5111 -26.863 5.16681 75.5075 PRESSAVG: 2848400 14.822 33.9376 -32.2616 33.9376 -10.8202 39.7246 -32.2616 39.7245 24.1744 GPRESSAVG: 2848400 14.4195 34.2842 -30.6149 36.8779 -11.4031 41.7296 -33.2079 38.3256 24.7262 TIMING: 2848400 CPU: 9067.47, 0.0032125/step Wall: 9067.47, 0.0032125/step, 1.92001 hours remaining, 239.835938 MB of memory in use. ENERGY: 2848400 4031.7626 20506.5530 14534.2133 253.6054 -203459.4453 2867.6360 0.0000 0.0000 52219.0660 -109046.6091 300.1037 -161265.6751 -108686.8783 299.8677 200.5090 226.3816 761542.0325 9.3921 9.2475 PRESSURE: 2848600 -162.741 -188.365 211.687 -188.366 101.456 -56.7085 211.688 -56.7087 157.776 GPRESSURE: 2848600 -197.898 -32.5412 133.346 -127.714 187.933 20.4558 238.034 13.1239 193.461 PRESSAVG: 2848600 14.0705 58.3302 -53.5828 58.3302 -5.67415 0.799242 -53.5828 0.79927 -2.2053 GPRESSAVG: 2848600 13.8974 57.9357 -53.7336 56.3847 -4.32406 1.99329 -53.5922 1.69317 -2.86498 TIMING: 2848600 CPU: 9068.1, 0.00314713/step Wall: 9068.1, 0.00314713/step, 1.88076 hours remaining, 240.039062 MB of memory in use. ENERGY: 2848600 3947.3625 20634.9841 14505.0974 247.5988 -203438.7582 2525.5061 0.0000 0.0000 52430.0662 -109148.1431 301.3163 -161578.2093 -108788.5645 300.1630 32.1637 61.1656 760728.5690 2.0637 2.2361 PRESSURE: 2848800 44.7889 196.364 -78.8825 196.365 41.3678 -54.5462 -78.8823 -54.5455 43.0218 GPRESSURE: 2848800 71.0223 221.492 -162.944 173.345 25.0453 -52.5882 51.6543 -95.9051 129.246 PRESSAVG: 2848800 -9.6174 65.923 -30.7342 65.923 -19.0067 22.5061 -30.7342 22.5061 38.6961 GPRESSAVG: 2848800 -8.67782 66.0732 -32.8395 66.333 -20.5402 20.264 -29.5196 22.9651 39.668 TIMING: 2848800 CPU: 9068.73, 0.00314646/step Wall: 9068.73, 0.00314646/step, 1.88019 hours remaining, 240.039062 MB of memory in use. ENERGY: 2848800 3958.5985 20532.5408 14580.2089 247.2118 -203539.2213 2748.5143 0.0000 0.0000 52176.0599 -109296.0871 299.8565 -161472.1470 -108929.5840 299.4984 43.0595 75.1044 761886.5685 3.3573 3.4833 PRESSURE: 2849000 103.619 45.2726 -109.872 45.2727 -172.664 14.8225 -109.871 14.8226 -200.116 GPRESSURE: 2849000 148.686 112.341 -116.482 -27.9973 -186.307 67.9753 -32.6691 16.9025 -161.627 PRESSAVG: 2849000 15.2848 -6.62372 -52.9933 -6.62372 -12.5078 37.4626 -52.9933 37.4626 7.66523 GPRESSAVG: 2849000 13.6641 -4.29354 -52.7559 -9.24835 -11.141 37.5338 -52.364 36.9437 7.96342 TIMING: 2849000 CPU: 9069.36, 0.00313194/step Wall: 9069.36, 0.00313194/step, 1.87133 hours remaining, 240.039062 MB of memory in use. ENERGY: 2849000 3952.1443 20651.2771 14586.6925 252.3675 -203588.2770 2784.6441 0.0000 0.0000 51947.0398 -109414.1117 298.5404 -161361.1515 -109057.0067 299.2047 -89.7202 -66.4159 760765.2635 3.4807 3.4955 PRESSURE: 2849200 -118.843 24.754 15.5559 24.7539 98.2524 -221.66 15.5558 -221.659 -207.999 GPRESSURE: 2849200 -56.093 -76.3785 96.2024 45.9226 50.0011 -123.123 -30.6078 -187.384 -133.684 PRESSAVG: 2849200 42.9754 -9.09438 -38.8489 -9.09436 -30.022 28.6765 -38.8488 28.6766 8.21189 GPRESSAVG: 2849200 45.3149 -10.6448 -36.3366 -7.38732 -32.6293 29.4492 -40.4285 31.0201 8.04295 TIMING: 2849200 CPU: 9069.99, 0.00314524/step Wall: 9069.99, 0.00314524/step, 1.87911 hours remaining, 240.039062 MB of memory in use. ENERGY: 2849200 3935.2668 20549.0482 14532.7707 233.4292 -203744.5829 2679.8766 0.0000 0.0000 52105.6868 -109708.5047 299.4521 -161814.1915 -109347.2623 299.0310 -76.1963 -46.5919 762420.8820 7.0551 6.9095 PRESSURE: 2849400 0.513307 225.478 221.389 225.478 -301.306 -204.078 221.388 -204.077 54.373 GPRESSURE: 2849400 17.9814 298.493 176.834 175.045 -219.701 -242.52 124.353 -214.928 51.4969 PRESSAVG: 2849400 40.3844 4.84225 -71.2969 4.84225 -55.4391 4.55152 -71.2968 4.55157 -9.94444 GPRESSAVG: 2849400 38.8547 5.26819 -72.0105 5.90602 -52.4165 1.72464 -70.8363 4.59576 -11.2095 TIMING: 2849400 CPU: 9070.62, 0.00314466/step Wall: 9070.62, 0.00314466/step, 1.87858 hours remaining, 240.039062 MB of memory in use. ENERGY: 2849400 4009.5546 20417.6843 14530.9203 220.3740 -203362.3314 2576.4435 0.0000 0.0000 52000.5178 -109606.8370 298.8477 -161607.3547 -109238.2751 298.7315 -82.1398 -50.0742 762038.3475 -8.3331 -8.2571 PRESSURE: 2849600 26.0229 -111.332 -109.579 -111.332 -205.157 77.6199 -109.58 77.6194 34.5538 GPRESSURE: 2849600 -7.81409 -242.554 -108.198 -32.7066 -111.573 52.8652 -122.673 82.131 72.5401 PRESSAVG: 2849600 -19.96 35.1816 -28.3105 35.1816 7.6828 -34.5407 -28.3105 -34.5407 -9.97444 GPRESSAVG: 2849600 -19.9242 33.4929 -28.9921 36.5177 7.32158 -31.188 -29.2228 -37.9352 -8.86823 TIMING: 2849600 CPU: 9071.25, 0.00316317/step Wall: 9071.25, 0.00316317/step, 1.88947 hours remaining, 240.039062 MB of memory in use. ENERGY: 2849600 3954.3214 20564.3438 14526.0772 231.2791 -203274.3212 2619.0152 0.0000 0.0000 51962.1201 -109417.1643 298.6270 -161379.2845 -109069.1785 298.8996 -48.1934 -15.6156 761952.6425 -7.4172 -7.1569 PRESSURE: 2849800 -200.767 -56.4479 -169.165 -56.4479 -109.132 -68.5374 -169.165 -68.5372 -485.19 GPRESSURE: 2849800 -86.2574 -1.99952 -182.253 -57.3164 -197.266 -131.616 -57.0234 -13.8576 -440.29 PRESSAVG: 2849800 49.0294 54.8494 -53.2462 54.8493 -37.7751 25.1531 -53.2463 25.1531 -16.2571 GPRESSAVG: 2849800 48.8622 56.6574 -53.5469 53.8326 -38.9177 22.6473 -50.1705 27.9918 -15.537 TIMING: 2849800 CPU: 9071.88, 0.00313163/step Wall: 9071.88, 0.00313163/step, 1.87045 hours remaining, 240.039062 MB of memory in use. ENERGY: 2849800 3925.8239 20366.7399 14540.7091 258.3595 -203789.2722 2691.7451 0.0000 0.0000 52182.9364 -109822.9582 299.8961 -162005.8946 -109456.7877 298.8828 -265.0299 -241.2712 760295.1127 -1.6676 -1.8641 PRESSURE: 2850000 9.90684 118.098 -75.8754 118.098 -0.215039 -245.938 -75.8761 -245.937 351.882 GPRESSURE: 2850000 29.6243 71.961 -67.235 69.4092 73.0125 -196.081 -81.471 -171.237 335.698 PRESSAVG: 2850000 23.3491 -2.10655 35.9771 -2.10654 -39.3184 -18.4045 35.9772 -18.4044 -8.69311 GPRESSAVG: 2850000 24.4423 -1.56562 36.0976 -2.50203 -39.195 -17.6017 33.7656 -19.5726 -9.89796 TIMING: 2850000 CPU: 9072.5, 0.00314392/step Wall: 9072.5, 0.00314392/step, 1.87762 hours remaining, 240.039062 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: 2850000 3944.7324 20605.3907 14576.0655 229.8120 -203650.2764 2760.1759 0.0000 0.0000 52038.4518 -109495.6481 299.0657 -161534.0998 -109135.4842 298.2772 120.5247 146.1117 760924.2493 -8.2208 -8.2169 PRESSURE: 2850200 -21.0291 22.9613 -84.2758 22.962 -228.764 113.843 -84.2758 113.845 315.694 GPRESSURE: 2850200 1.89135 -47.9037 -43.3237 46.9758 -165.896 80.6925 -116.515 334.12 322.662 PRESSAVG: 2850200 69.6512 18.8301 -9.68459 18.83 -47.9301 44.4192 -9.68461 44.4191 4.04828 GPRESSAVG: 2850200 69.3451 17.069 -8.87017 18.7088 -49.9663 43.868 -8.61914 45.1829 6.32274 TIMING: 2850200 CPU: 9073.13, 0.0031482/step Wall: 9073.13, 0.0031482/step, 1.88 hours remaining, 240.039062 MB of memory in use. ENERGY: 2850200 3971.3271 20465.0168 14570.4706 261.1086 -203359.7772 2548.5814 0.0000 0.0000 52014.7427 -109528.5300 298.9294 -161543.2727 -109166.4564 299.0493 21.9671 52.8858 761059.0027 8.5898 8.5672 PRESSURE: 2850400 -96.7253 44.7519 238.225 44.7521 -121.954 -173.551 238.224 -173.551 -252.634 GPRESSURE: 2850400 -11.1089 76.2415 248.979 239.705 -105.835 -191.503 285.736 -85.3464 -277.427 PRESSAVG: 2850400 26.3919 31.7797 -16.9074 31.7796 4.73727 -8.50814 -16.9074 -8.50823 3.38046 GPRESSAVG: 2850400 24.9179 31.5847 -17.0253 32.3208 6.78391 -7.14055 -18.2088 -6.95348 2.89819 TIMING: 2850400 CPU: 9073.76, 0.00313666/step Wall: 9073.76, 0.00313666/step, 1.87294 hours remaining, 240.039062 MB of memory in use. ENERGY: 2850400 3957.8952 20542.1240 14480.9502 251.5058 -203491.8552 2705.8175 0.0000 0.0000 52246.0082 -109307.5544 300.2585 -161553.5626 -108935.5983 299.0908 -157.1045 -131.4568 763060.8520 11.5032 11.5333 PRESSURE: 2850600 -90.7214 -16.0131 13.2857 -16.013 -179.465 60.085 13.2857 60.0838 -392.29 GPRESSURE: 2850600 -48.8192 -82.2455 35.986 -27.7374 -215.672 23.9135 33.908 17.3459 -299.513 PRESSAVG: 2850600 3.0336 19.9755 15.3362 19.9755 34.7999 -10.9399 15.3362 -10.9399 0.297206 GPRESSAVG: 2850600 3.79777 20.0971 16.4292 21.8548 35.7502 -11.7914 14.859 -11.4427 -1.92495 TIMING: 2850600 CPU: 9074.39, 0.00312004/step Wall: 9074.39, 0.00312004/step, 1.86284 hours remaining, 240.039062 MB of memory in use. ENERGY: 2850600 4066.6961 20503.5447 14559.5771 254.9208 -203771.9146 2804.0033 0.0000 0.0000 52154.5361 -109428.6366 299.7328 -161583.1726 -109065.3363 299.7726 -220.8255 -188.0015 762727.1830 12.7102 12.5410 PRESSURE: 2850800 40.907 138.428 -157.862 138.428 -38.7458 121.534 -157.862 121.534 -349.854 GPRESSURE: 2850800 70.0953 168.09 -162.64 0.0107876 -48.9667 124.269 -189.461 155.087 -282.625 PRESSAVG: 2850800 -12.9424 44.1892 -15.9029 44.1891 -3.31639 6.69005 -15.903 6.69005 -17.0723 GPRESSAVG: 2850800 -12.9889 45.6178 -18.5495 40.8913 -5.06365 6.46416 -13.8494 5.89231 -15.5332 TIMING: 2850800 CPU: 9075.01, 0.00313257/step Wall: 9075.01, 0.00313257/step, 1.87015 hours remaining, 240.039062 MB of memory in use. ENERGY: 2850800 4129.9789 20559.7618 14519.8815 264.0840 -203336.7290 2623.1414 0.0000 0.0000 51852.8552 -109387.0262 297.9991 -161239.8814 -109042.8739 299.2207 -115.8976 -87.1654 761881.2182 -11.1104 -11.1952 PRESSURE: 2851000 -338.988 -175.072 95.2955 -175.073 -231.827 -194.643 95.2955 -194.644 57.822 GPRESSURE: 2851000 -264.72 -188.647 -9.73878 -51.7612 -228.525 -239.298 -49.9359 -79.3191 58.3201 PRESSAVG: 2851000 -5.75184 75.4328 6.40803 75.4328 -21.0152 -37.0988 6.40804 -37.0989 -7.96768 GPRESSAVG: 2851000 -5.60949 72.8909 8.49544 75.8908 -20.9821 -37.9181 4.01462 -36.585 -7.90828 TIMING: 2851000 CPU: 9075.64, 0.00312872/step Wall: 9075.64, 0.00312872/step, 1.86767 hours remaining, 240.039062 MB of memory in use. ENERGY: 2851000 3961.0782 20494.5696 14553.2076 252.1199 -202952.0137 2536.6499 0.0000 0.0000 51852.5443 -109301.8442 297.9973 -161154.3886 -108940.5944 299.1526 -170.9974 -144.9750 764337.7475 -11.5783 -11.5000 PRESSURE: 2851200 -27.9672 -54.8921 1.83568 -54.8922 138.031 -34.934 1.83537 -34.9343 334.252 GPRESSURE: 2851200 11.349 2.59262 57.7699 -62.372 179.245 -44.3388 4.84635 50.2834 343.189 PRESSAVG: 2851200 27.9845 96.1302 -17.6975 96.1302 30.3023 -60.3559 -17.6975 -60.3558 -11.3047 GPRESSAVG: 2851200 29.316 96.8011 -18.2282 95.939 30.5478 -59.8053 -15.3204 -61.1918 -12.902 TIMING: 2851200 CPU: 9076.26, 0.00312568/step Wall: 9076.26, 0.00312568/step, 1.86568 hours remaining, 240.039062 MB of memory in use. ENERGY: 2851200 4000.2677 20368.0282 14555.8831 264.1791 -203211.3325 2718.8770 0.0000 0.0000 51858.1525 -109445.9448 298.0295 -161304.0973 -109081.1301 298.9383 148.1054 177.9278 763119.9757 15.6607 15.6539 PRESSURE: 2851400 29.6212 -106.886 -109.765 -106.886 -219.543 110.001 -109.765 110.001 -303.158 GPRESSURE: 2851400 -7.32953 -79.0415 -108.477 -116.288 -88.3162 75.9691 -105.634 59.2731 -321.962 PRESSAVG: 2851400 1.28053 27.696 -30.4637 27.696 11.5337 -11.7731 -30.4638 -11.7731 13.8679 GPRESSAVG: 2851400 0.447908 29.5401 -30.6324 26.6469 11.8772 -11.7837 -31.4637 -10.4571 15.1624 TIMING: 2851400 CPU: 9076.88, 0.00310631/step Wall: 9076.88, 0.00310631/step, 1.85395 hours remaining, 240.039062 MB of memory in use. ENERGY: 2851400 4006.5929 20462.0421 14511.0439 239.5798 -202905.3836 2384.8993 0.0000 0.0000 51784.6949 -109516.5307 297.6074 -161301.2256 -109153.5041 298.7791 -164.3600 -139.2024 764443.0120 8.8941 9.1625 PRESSURE: 2851600 -144.445 -110.517 -110.816 -110.517 -50.2136 4.47412 -110.816 4.47371 125.933 GPRESSURE: 2851600 -106.337 -69.4733 -199.555 -78.4924 20.8182 69.507 14.5228 13.7027 119.269 PRESSAVG: 2851600 14.4328 42.3577 -20.9549 42.3577 -37.1639 -36.2385 -20.9548 -36.2385 5.94518 GPRESSAVG: 2851600 14.4635 42.9879 -21.7615 44.2119 -36.9132 -35.0978 -20.5397 -39.3159 5.26265 TIMING: 2851600 CPU: 9077.51, 0.00310977/step Wall: 9077.51, 0.00310977/step, 1.85584 hours remaining, 240.039062 MB of memory in use. ENERGY: 2851600 3943.6150 20619.2457 14562.9724 251.0500 -203108.6489 2377.9933 0.0000 0.0000 51943.0689 -109410.7037 298.5175 -161353.7726 -109054.2673 298.5775 -22.9085 11.2500 761521.5855 -5.5953 -5.7290 PRESSURE: 2851800 -29.6022 -132.101 225.303 -132.101 44.1743 -29.6476 225.302 -29.6482 89.8355 GPRESSURE: 2851800 4.05732 17.1143 261.065 -11.078 78.6441 -7.21016 161.752 -128.919 102.57 PRESSAVG: 2851800 48.4594 25.4271 12.7489 25.4271 -22.0728 17.8634 12.7489 17.8633 -13.1984 GPRESSAVG: 2851800 48.165 26.4998 11.7795 23.5196 -22.9118 18.7439 14.406 18.6537 -12.2642 TIMING: 2851800 CPU: 9078.13, 0.00311871/step Wall: 9078.13, 0.00311871/step, 1.861 hours remaining, 240.039062 MB of memory in use. ENERGY: 2851800 3981.4590 20479.8013 14658.6336 228.4285 -203251.2175 2723.3668 0.0000 0.0000 51793.6683 -109385.8600 297.6589 -161179.5283 -109035.8365 298.5691 34.8025 61.7570 761269.8130 4.3961 4.3297 PRESSURE: 2852000 55.1679 23.7474 44.3147 23.7468 -106.106 -35.0849 44.315 -35.0846 276.955 GPRESSURE: 2852000 74.8554 -68.0659 84.2436 -4.40295 -50.849 -100.853 -2.82576 70.1476 295.002 PRESSAVG: 2852000 34.2185 -52.4385 -22.8077 -52.4385 15.1553 -2.59853 -22.8077 -2.59846 -16.6935 GPRESSAVG: 2852000 33.4248 -54.8922 -21.1517 -50.9489 17.0127 -4.28668 -24.7549 0.191791 -17.1413 TIMING: 2852000 CPU: 9078.75, 0.00312235/step Wall: 9078.75, 0.00312235/step, 1.863 hours remaining, 240.039062 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: 2852000 3952.5216 20346.1420 14592.6903 242.5020 -203095.2209 2361.8368 0.0000 0.0000 52190.0351 -109409.4930 299.9368 -161599.5281 -109045.0598 299.0064 75.3391 106.3362 760235.7543 10.8934 11.0987 PRESSURE: 2852200 48.7123 -232.536 -242.828 -232.537 -16.0116 184.781 -242.829 184.782 485.872 GPRESSURE: 2852200 103.139 -290.769 -254.092 -183.607 49.2599 158.817 -237.527 157.433 454.008 PRESSAVG: 2852200 2.61414 13.3559 -80.175 13.3558 30.1981 16.1679 -80.175 16.168 6.03769 GPRESSAVG: 2852200 3.08852 14.1717 -79.9483 14.702 30.3485 15.1222 -81.9237 15.0692 4.71983 TIMING: 2852200 CPU: 9079.38, 0.00313524/step Wall: 9079.38, 0.00313524/step, 1.87052 hours remaining, 240.039062 MB of memory in use. ENERGY: 2852200 3880.3635 20608.9009 14548.9205 268.1471 -203399.8774 2731.0211 0.0000 0.0000 52222.0896 -109140.4349 300.1211 -161362.5245 -108778.5513 299.5375 172.8576 202.1355 761218.9224 12.9500 12.7189 LDB: ============= START OF LOAD BALANCING ============== 9091.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9091.83 LDB: =============== DONE WITH MIGRATION ================ 9091.83 LDB: ============= START OF LOAD BALANCING ============== 9092.15 LDB: Largest compute 7031 load 0.033493 is 17.1% of average load 0.195399 LDB: Average compute 0.004370 is 2.2% of average load 0.195399 LDB: TIME 9092.15 LOAD: AVG 0.195399 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 9092.15 LOAD: AVG 0.195399 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.449 MB LDB: TIME 9092.15 LOAD: AVG 0.195399 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.449 MB LDB: ============== END OF LOAD BALANCING =============== 9092.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9092.16 PRESSURE: 2852400 -299.72 -60.8614 40.5009 -60.8624 -406.226 2.07646 40.5005 2.0774 -271.013 GPRESSURE: 2852400 -323.839 -116.18 -25.1068 55.0455 -363.913 -95.6378 182.527 15.8691 -207.565 PRESSAVG: 2852400 20.9173 -26.6659 -10.426 -26.6659 1.25091 17.1504 -10.426 17.1503 0.224388 GPRESSAVG: 2852400 19.9865 -26.4587 -10.5619 -28.3563 -0.270729 18.246 -10.8336 15.176 2.73328 TIMING: 2852400 CPU: 9080.02, 0.00321014/step Wall: 9080.02, 0.00321014/step, 1.91503 hours remaining, 241.378906 MB of memory in use. ENERGY: 2852400 4020.8709 20562.0675 14516.1951 247.2198 -202970.9810 2334.6695 0.0000 0.0000 52149.3070 -109140.6511 299.7028 -161289.9581 -108779.3925 299.4878 -325.6531 -298.4386 763058.5666 7.4642 7.4830 PRESSURE: 2852600 -282.906 303.803 3.79404 303.802 -194.911 -112.965 3.79377 -112.966 -214.563 GPRESSURE: 2852600 -234.346 229.309 -0.316256 386.538 -162.148 -155.694 -58.7246 -29.3329 -210.687 PRESSAVG: 2852600 -21.1952 25.7492 -43.7033 25.7491 54.2342 2.88019 -43.7033 2.88022 1.71931 GPRESSAVG: 2852600 -20.0905 25.1024 -44.0286 26.24 54.5864 3.25365 -40.6337 3.98324 0.743911 TIMING: 2852600 CPU: 9080.65, 0.00314119/step Wall: 9080.65, 0.00314119/step, 1.87372 hours remaining, 241.449219 MB of memory in use. ENERGY: 2852600 4053.6679 20546.7953 14537.4780 250.5533 -203165.7844 2576.1442 0.0000 0.0000 52048.4687 -109152.6769 299.1233 -161201.1457 -108781.8733 299.7567 -230.7933 -202.3937 762836.4256 11.5861 11.7466 PRESSURE: 2852800 274.652 159.296 -35.7405 159.297 170.031 426.422 -35.7412 426.422 92.6202 GPRESSURE: 2852800 358.303 182.725 -87.0713 129.949 184.409 354.462 10.0068 353.672 101.275 PRESSAVG: 2852800 81.6644 34.1123 -63.5397 34.1122 -14.9257 28.3463 -63.5396 28.3463 -5.22908 GPRESSAVG: 2852800 81.4467 35.6199 -62.7493 35.2997 -14.7594 25.3238 -62.6035 27.7897 -4.50801 TIMING: 2852800 CPU: 9081.29, 0.00317298/step Wall: 9081.29, 0.00317298/step, 1.89251 hours remaining, 241.449219 MB of memory in use. ENERGY: 2852800 3977.7500 20577.1356 14421.0187 242.0504 -203611.8730 2841.2110 0.0000 0.0000 52105.3747 -109447.3327 299.4503 -161552.7074 -109077.6386 299.4693 179.1012 214.6623 760333.5323 20.5032 20.7264 PRESSURE: 2853000 -646.423 105.266 -168.825 105.266 -142.693 -309.501 -168.826 -309.501 -540.942 GPRESSURE: 2853000 -640.144 129.986 -90.766 103.131 -153.269 -342.009 -165.968 -107.417 -439.987 PRESSAVG: 2853000 -61.4846 5.92214 -15.225 5.92222 47.6719 10.6546 -15.2249 10.6546 16.7106 GPRESSAVG: 2853000 -60.4758 5.44966 -15.62 3.33289 47.2775 13.4251 -17.2363 12.0255 16.2703 TIMING: 2853000 CPU: 9081.92, 0.00314293/step Wall: 9081.92, 0.00314293/step, 1.87441 hours remaining, 241.449219 MB of memory in use. ENERGY: 2853000 3952.0510 20595.1876 14533.7925 238.7778 -203154.1658 2353.6670 0.0000 0.0000 52005.9552 -109474.7347 298.8789 -161480.6899 -109113.8660 298.9085 -443.3524 -411.1335 761558.6219 0.9660 1.0240 PRESSURE: 2853200 -146.982 -9.8574 65.2283 -9.85681 -175.77 213.768 65.2281 213.768 -127.87 GPRESSURE: 2853200 -82.3673 -69.9428 56.1203 125.642 -167.789 247.033 87.2163 188.632 -116.836 PRESSAVG: 2853200 -30.0077 35.5171 -89.1786 35.5171 2.5912 -24.4848 -89.1786 -24.4847 5.91682 GPRESSAVG: 2853200 -31.0665 33.7546 -89.4986 37.9261 2.11893 -24.3638 -87.8801 -26.3742 7.17202 TIMING: 2853200 CPU: 9082.55, 0.00315887/step Wall: 9082.55, 0.00315887/step, 1.88374 hours remaining, 241.449219 MB of memory in use. ENERGY: 2853200 3984.7446 20588.9217 14522.5295 244.6877 -202997.5725 2378.0482 0.0000 0.0000 51997.7211 -109280.9197 298.8316 -161278.6408 -108910.0582 299.2291 -150.2073 -122.3306 761196.1475 -7.1666 -7.2585 PRESSURE: 2853400 -32.1225 139.723 36.7305 139.724 124.156 64.7938 36.7306 64.7933 -67.9474 GPRESSURE: 2853400 73.3182 97.6975 -0.414669 166.787 104.897 131.967 -6.26581 76.6208 -79.0216 PRESSAVG: 2853400 -36.0175 37.0499 -52.7557 37.0499 18.7184 -1.58416 -52.7557 -1.58412 11.5866 GPRESSAVG: 2853400 -35.7639 38.9012 -53.3702 35.3579 18.3939 -2.58937 -49.8334 0.804102 11.4474 TIMING: 2853400 CPU: 9083.18, 0.00317754/step Wall: 9083.18, 0.00317754/step, 1.8947 hours remaining, 241.449219 MB of memory in use. ENERGY: 2853400 4041.4146 20599.6600 14543.6838 221.7885 -203306.0750 2423.5058 0.0000 0.0000 52326.5477 -109149.4747 300.7214 -161476.0224 -108772.7211 300.0236 8.0288 33.0644 759312.0832 -1.9042 -1.9742 PRESSURE: 2853600 -268.067 215.252 -23.8556 215.252 4.75551 -21.7424 -23.8562 -21.7419 -111.707 GPRESSURE: 2853600 -192.333 95.9085 -29.364 218.745 57.577 4.5152 -3.57704 3.84388 -152.107 PRESSAVG: 2853600 11.3691 39.3321 -40.1391 39.3321 0.566787 3.27405 -40.1391 3.274 -22.1324 GPRESSAVG: 2853600 10.9602 38.4024 -39.0119 37.38 2.26389 4.665 -42.8995 0.965374 -23.1739 TIMING: 2853600 CPU: 9083.81, 0.00314037/step Wall: 9083.81, 0.00314037/step, 1.87236 hours remaining, 241.449219 MB of memory in use. ENERGY: 2853600 3878.0140 20561.8757 14545.2296 248.4762 -202867.6349 2267.5305 0.0000 0.0000 52165.9502 -109200.5586 299.7984 -161366.5089 -108834.6550 299.9358 -125.0061 -95.6210 761318.6725 -3.3988 -3.3166 PRESSURE: 2853800 -409.516 -155.931 -32.8502 -155.931 50.5028 74.7585 -32.8513 74.7578 -197.356 GPRESSURE: 2853800 -388.824 -112.395 -41.4447 -247.38 64.3535 68.8578 -41.2354 4.96329 -132.466 PRESSAVG: 2853800 -2.37794 11.8754 -39.0797 11.8755 46.5656 18.6248 -39.0798 18.6248 19.7097 GPRESSAVG: 2853800 -2.04849 12.9633 -38.0053 11.4662 45.9641 17.7979 -39.4317 19.9013 19.5901 TIMING: 2853800 CPU: 9084.44, 0.00312739/step Wall: 9084.44, 0.00312738/step, 1.86444 hours remaining, 241.449219 MB of memory in use. ENERGY: 2853800 4034.0765 20546.6655 14562.6463 247.7870 -203364.3257 2493.7869 0.0000 0.0000 52303.2810 -109176.0823 300.5877 -161479.3634 -108800.3927 300.1797 -185.4561 -152.3122 761270.2124 21.2991 21.1686 PRESSURE: 2854000 102.276 -31.1982 -49.6795 -31.1979 -170.953 274.206 -49.6786 274.206 92.8594 GPRESSURE: 2854000 156.24 110.182 -7.89068 43.2359 -193.529 263.495 -75.3884 213.893 141.709 PRESSAVG: 2854000 65.6267 3.58529 -34.1894 3.5853 -24.106 -0.271205 -34.1893 -0.271321 11.5834 GPRESSAVG: 2854000 65.5953 3.87712 -35.594 6.13303 -24.536 -0.455037 -32.8756 -1.20595 11.4323 TIMING: 2854000 CPU: 9085.07, 0.0031592/step Wall: 9085.07, 0.0031592/step, 1.88323 hours remaining, 241.449219 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: 2854000 4024.7577 20597.7884 14539.8885 262.2186 -203178.2044 2459.0537 0.0000 0.0000 51957.3912 -109337.1062 298.5998 -161294.4975 -108975.9890 299.5424 8.0609 34.8066 761741.4382 17.7014 17.4972 PRESSURE: 2854200 28.8196 227.304 52.7438 227.304 185.423 -51.9653 52.7431 -51.9666 -484.423 GPRESSURE: 2854200 38.2967 161.645 35.0065 152.669 207.252 -22.7121 114.685 -29.5407 -421.791 PRESSAVG: 2854200 31.4622 25.9123 14.4625 25.9124 -10.6382 18.9089 14.4625 18.909 -10.3823 GPRESSAVG: 2854200 31.5727 24.7538 14.797 24.689 -10.4274 19.2786 14.1573 18.9829 -10.5469 TIMING: 2854200 CPU: 9085.7, 0.00314323/step Wall: 9085.7, 0.00314323/step, 1.87354 hours remaining, 241.449219 MB of memory in use. ENERGY: 2854200 4124.5553 20641.2092 14470.8112 258.9310 -203516.3855 2555.9936 0.0000 0.0000 51943.3171 -109521.5681 298.5190 -161464.8852 -109180.0011 299.1275 -90.0601 -58.7472 760806.9232 3.4806 3.5328 PRESSURE: 2854400 8.63118 138.909 83.4231 138.908 -30.7508 -33.1865 83.4226 -33.1858 -219.325 GPRESSURE: 2854400 67.4926 113.6 87.2145 98.732 -55.806 33.2427 22.8851 -5.68378 -170.427 PRESSAVG: 2854400 41.2128 -35.4479 2.40762 -35.4479 -34.0054 -5.13444 2.40762 -5.1344 -23.8505 GPRESSAVG: 2854400 41.6016 -34.8328 3.56412 -34.3993 -34.9144 -5.83577 0.309815 -4.04951 -23.0492 TIMING: 2854400 CPU: 9086.32, 0.00314223/step Wall: 9086.32, 0.00314223/step, 1.87277 hours remaining, 241.449219 MB of memory in use. ENERGY: 2854400 3981.5928 20613.5839 14567.5483 267.6157 -203267.9818 2340.1417 0.0000 0.0000 52106.8761 -109390.6232 299.4589 -161497.4993 -109018.0936 299.0736 -80.4816 -52.9136 762818.7646 -5.5477 -5.4540 PRESSURE: 2854600 106.608 180.756 -125.344 180.755 -100.82 -162.394 -125.344 -162.394 92.047 GPRESSURE: 2854600 154.083 171.72 -62.9578 104.921 -91.5181 -225.352 -129.199 -174.121 113.261 PRESSAVG: 2854600 36.6753 18.2912 40.4986 18.2913 -63.5904 28.5374 40.4985 28.5374 5.5997 GPRESSAVG: 2854600 35.719 17.066 40.521 18.5388 -61.3402 28.4448 40.3601 27.9787 4.57612 TIMING: 2854600 CPU: 9086.95, 0.00312998/step Wall: 9086.95, 0.00312998/step, 1.8653 hours remaining, 241.449219 MB of memory in use. ENERGY: 2854600 4057.8994 20696.4943 14542.6814 244.7382 -203129.6357 2403.5632 0.0000 0.0000 51955.3950 -109228.8644 298.5884 -161184.2594 -108874.0226 299.9016 32.6116 58.6087 761241.3215 -7.1051 -7.0150 PRESSURE: 2854800 273.996 70.1096 42.8264 70.1105 47.0148 328.208 42.8263 328.208 -41.3081 GPRESSURE: 2854800 241.795 -6.61668 128.91 45.5318 110.134 326.815 -124.25 274.852 26.6113 PRESSAVG: 2854800 36.2743 7.93061 8.18984 7.93054 -78.9435 19.2455 8.1898 19.2455 -18.7003 GPRESSAVG: 2854800 36.2492 9.21714 9.06466 5.76938 -80.1404 20.5083 7.56695 18.1555 -17.7555 TIMING: 2854800 CPU: 9087.57, 0.00312014/step Wall: 9087.57, 0.00312014/step, 1.85926 hours remaining, 241.449219 MB of memory in use. ENERGY: 2854800 4043.5182 20652.4720 14541.4349 244.3451 -203595.5232 2657.5194 0.0000 0.0000 52291.2173 -109165.0163 300.5183 -161456.2336 -108816.3148 299.7756 93.2342 126.1802 760530.9889 -20.4565 -20.5489 PRESSURE: 2855000 154.58 157.288 -130.777 157.288 -257.971 85.7196 -130.777 85.7183 -176.353 GPRESSURE: 2855000 156.65 292.396 -155.992 -29.4859 -215.076 110.05 -51.4653 3.88496 -140.278 PRESSAVG: 2855000 22.2532 6.43695 30.1461 6.43689 21.6932 -17.081 30.1461 -17.081 2.93906 GPRESSAVG: 2855000 21.6813 5.62373 28.9314 9.56785 21.5837 -17.2194 32.7114 -18.4986 3.44884 TIMING: 2855000 CPU: 9088.2, 0.00312342/step Wall: 9088.2, 0.00312342/step, 1.86104 hours remaining, 241.449219 MB of memory in use. ENERGY: 2855000 4054.8265 20758.5608 14539.3660 255.1463 -203429.1480 2547.0235 0.0000 0.0000 52139.8388 -109134.3861 299.6484 -161274.2249 -108773.5577 299.9822 -93.2479 -66.2346 762875.2491 15.6285 15.5713 PRESSURE: 2855200 347.026 -56.0604 100.703 -56.0619 -191.53 -172.704 100.703 -172.706 23.8477 GPRESSURE: 2855200 336.931 14.4429 38.0439 -79.3885 -141.254 -143.084 75.8834 -65.5206 65.0712 PRESSAVG: 2855200 66.3306 2.21405 3.63907 2.21401 -77.0826 40.9038 3.63904 40.9038 1.9802 GPRESSAVG: 2855200 67.6064 1.86285 3.03506 0.236905 -76.9825 41.3112 4.3359 41.792 0.859221 TIMING: 2855200 CPU: 9088.83, 0.00314075/step Wall: 9088.83, 0.00314075/step, 1.87119 hours remaining, 241.449219 MB of memory in use. ENERGY: 2855200 4022.7027 20680.9171 14471.4949 254.1920 -203468.6448 2572.6693 0.0000 0.0000 52308.2436 -109158.4252 300.6162 -161466.6688 -108792.8285 299.9650 59.7811 86.9160 761453.8540 -2.9239 -2.8390 PRESSURE: 2855400 39.0921 11.4624 -2.0568 11.4627 -207.665 218.151 -2.05561 218.15 29.6814 GPRESSURE: 2855400 34.8834 29.2538 98.9031 39.1616 -140.859 137.146 143.04 175.703 46.5021 PRESSAVG: 2855400 29.7494 47.8049 24.9564 47.8049 -51.2811 21.8215 24.9565 21.8215 -3.99651 GPRESSAVG: 2855400 29.6207 47.9654 25.968 49.4879 -50.7845 20.8808 25.6776 23.298 -4.47799 TIMING: 2855400 CPU: 9089.46, 0.00313926/step Wall: 9089.46, 0.00313926/step, 1.87013 hours remaining, 241.449219 MB of memory in use. ENERGY: 2855400 3994.8548 20655.5519 14557.5656 244.4766 -203269.9261 2538.8284 0.0000 0.0000 52132.7443 -109145.9045 299.6076 -161278.6488 -108783.5150 299.9666 -46.2970 -19.8246 762644.4103 -8.5094 -8.5473 PRESSURE: 2855600 -130.977 23.3268 90.0792 23.3266 0.826429 -183.81 90.0786 -183.811 244.313 GPRESSURE: 2855600 -109.331 10.902 47.6014 67.3449 62.677 -207.832 116.214 12.4551 258.334 PRESSAVG: 2855600 46.4848 52.2366 -5.58422 52.2366 -52.8234 -13.68 -5.58419 -13.6801 16.9521 GPRESSAVG: 2855600 46.3512 52.3924 -5.47392 52.563 -54.5848 -15.4829 -8.35495 -13.4875 18.6493 TIMING: 2855600 CPU: 9090.08, 0.00313873/step Wall: 9090.08, 0.00313873/step, 1.86964 hours remaining, 241.449219 MB of memory in use. ENERGY: 2855600 3981.1812 20535.1528 14498.1927 255.6888 -203539.8185 2673.1654 0.0000 0.0000 52284.9730 -109311.4647 300.4825 -161596.4377 -108947.5056 299.5914 38.0541 70.5599 761306.2997 3.5378 3.4719 PRESSURE: 2855800 -30.4119 91.2568 14.96 91.2567 -598.535 -107.204 14.9591 -107.204 -245.306 GPRESSURE: 2855800 -64.8431 54.1562 19.1999 120.728 -534.768 -150.91 48.6542 -64.0245 -165.154 PRESSAVG: 2855800 -7.5098 37.6866 1.36186 37.6867 13.6508 2.2251 1.36177 2.22507 5.64429 GPRESSAVG: 2855800 -7.60237 37.0059 -0.122595 36.7993 14.4996 2.7116 1.68622 3.12032 4.99996 TIMING: 2855800 CPU: 9090.71, 0.00314072/step Wall: 9090.71, 0.00314072/step, 1.87065 hours remaining, 241.449219 MB of memory in use. ENERGY: 2855800 4033.0915 20499.3827 14513.8217 243.9750 -203265.0133 2532.1001 0.0000 0.0000 52335.4105 -109107.2319 300.7723 -161442.6424 -108747.8420 299.7897 -291.4176 -254.9215 762657.2204 3.9284 3.9657 PRESSURE: 2856000 -22.9329 -135.297 -219.297 -135.297 78.5969 87.2602 -219.297 87.2599 -139.86 GPRESSURE: 2856000 3.0052 -194.097 -169.411 -84.3498 57.5157 78.4163 -152.754 4.73976 -66.3889 PRESSAVG: 2856000 -7.07629 57.23 -11.7443 57.2299 4.57355 -62.7445 -11.7442 -62.7445 -9.08079 GPRESSAVG: 2856000 -6.50546 56.2076 -10.4913 56.5852 4.05353 -62.7123 -11.4332 -62.6649 -8.94584 TIMING: 2856000 CPU: 9091.34, 0.00312886/step Wall: 9091.34, 0.00312886/step, 1.86341 hours remaining, 241.449219 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: 2856000 4018.0293 20633.5980 14490.8318 265.1887 -203477.0756 2716.4068 0.0000 0.0000 52174.1840 -109178.8370 299.8458 -161353.0210 -108824.1761 299.7864 -28.0655 -1.9560 761813.5371 -3.8612 -3.7993 PRESSURE: 2856200 -279.231 61.1747 186.538 61.1748 24.5518 75.2454 186.538 75.2457 -193.208 GPRESSURE: 2856200 -148.631 100.931 215.799 -27.5279 -45.2513 54.3858 210.075 164.447 -150.367 PRESSAVG: 2856200 -10.5099 -25.2583 -2.22356 -25.2583 -30.371 10.7679 -2.22357 10.7678 16.7985 GPRESSAVG: 2856200 -11.065 -26.2094 -2.23605 -23.7745 -30.1663 11.6494 -1.38665 9.23535 16.9079 TIMING: 2856200 CPU: 9091.96, 0.00313819/step Wall: 9091.96, 0.00313819/step, 1.86879 hours remaining, 241.449219 MB of memory in use. ENERGY: 2856200 3921.5682 20439.0156 14523.0321 269.2894 -202962.2185 2476.3407 0.0000 0.0000 52273.4452 -109059.5272 300.4162 -161332.9725 -108686.6393 299.7481 -149.2957 -114.7499 761719.2165 -8.0275 -8.1078 LDB: ============= START OF LOAD BALANCING ============== 9104.42 LDB: ============== END OF LOAD BALANCING =============== 9104.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9104.42 LDB: ============= START OF LOAD BALANCING ============== 9104.73 LDB: Largest compute 7060 load 0.034377 is 17.6% of average load 0.195393 LDB: Average compute 0.004366 is 2.2% of average load 0.195393 LDB: TIME 9104.74 LOAD: AVG 0.195393 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 9104.74 LOAD: AVG 0.195393 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 9104.74 LOAD: AVG 0.195393 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 9104.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9104.74 PRESSURE: 2856400 69.8255 3.94523 -237.026 3.94561 222.395 76.9296 -237.027 76.9296 -72.4514 GPRESSURE: 2856400 175.163 -6.45174 -310.996 -29.7063 199.664 32.3974 -88.8016 76.7017 -89.5859 PRESSAVG: 2856400 5.36724 -15.8868 -12.1298 -15.8868 -5.2202 5.81491 -12.1298 5.81496 12.4453 GPRESSAVG: 2856400 5.55887 -13.9992 -13.7296 -17.8459 -5.30421 8.20936 -12.6563 6.10454 12.4734 TIMING: 2856400 CPU: 9092.61, 0.00321566/step Wall: 9092.61, 0.00321566/step, 1.91475 hours remaining, 240.039062 MB of memory in use. ENERGY: 2856400 4078.2367 20515.8964 14514.1065 234.1596 -203036.0419 2299.0161 0.0000 0.0000 52134.6472 -109259.9794 299.6185 -161394.6266 -108892.4568 299.5949 73.2562 95.0804 761069.2251 4.1974 4.2427 PRESSURE: 2856600 -162.187 -39.2015 -69.8264 -39.2008 -255.275 13.8089 -69.8265 13.8085 -461.645 GPRESSURE: 2856600 -125.331 -24.9671 -80.6683 -45.4717 -266.55 126.987 22.4448 31.1656 -408.058 PRESSAVG: 2856600 28.3612 -19.3325 -21.9732 -19.3325 -35.5621 -57.5407 -21.9732 -57.5406 -3.0926 GPRESSAVG: 2856600 29.6368 -20.3667 -19.7541 -18.39 -35.7151 -58.4235 -22.7271 -58.2828 -4.55533 TIMING: 2856600 CPU: 9093.23, 0.00313093/step Wall: 9093.23, 0.00313093/step, 1.86412 hours remaining, 240.039062 MB of memory in use. ENERGY: 2856600 4027.5996 20637.7493 14532.8269 241.6640 -202860.2779 2379.6669 0.0000 0.0000 52029.0938 -109011.6774 299.0119 -161040.7712 -108643.1313 299.9662 -293.0354 -266.6461 762887.0446 -3.4312 -3.5445 PRESSURE: 2856800 58.1595 89.1316 255.013 89.1318 454.412 55.2997 255.013 55.301 -136.652 GPRESSURE: 2856800 87.8802 161.617 119.079 61.2851 491.583 -39.5691 188.544 16.1693 -112.076 PRESSAVG: 2856800 11.0869 -11.0612 5.50493 -11.0613 -25.5432 -12.0534 5.50494 -12.0534 -16.4885 GPRESSAVG: 2856800 9.97911 -11.2058 3.47939 -11.711 -25.0653 -12.5123 5.58964 -10.3945 -15.8502 TIMING: 2856800 CPU: 9093.86, 0.00313419/step Wall: 9093.86, 0.00313419/step, 1.86589 hours remaining, 240.039062 MB of memory in use. ENERGY: 2856800 3956.6387 20686.6661 14540.7367 252.6243 -203201.9210 2658.6534 0.0000 0.0000 52140.7673 -108965.8345 299.6537 -161106.6018 -108594.7859 299.7791 125.3064 155.7960 762513.3606 -10.3149 -10.3121 PRESSURE: 2857000 -136.342 -80.399 -203 -80.3992 -119.992 -72.55 -203 -72.5508 49.4162 GPRESSURE: 2857000 -50.3126 20.1438 -175.643 -17.4126 -86.081 57.8228 -278.977 34.1425 5.3347 PRESSAVG: 2857000 51.9387 -1.97523 -39.1999 -1.97518 -22.7782 25.2317 -39.1999 25.2316 3.22853 GPRESSAVG: 2857000 51.6771 -3.01979 -38.8699 -0.633884 -22.1665 24.0358 -38.8204 25.4212 3.13588 TIMING: 2857000 CPU: 9094.49, 0.00313255/step Wall: 9094.49, 0.00313255/step, 1.86474 hours remaining, 240.039062 MB of memory in use. ENERGY: 2857000 3922.1920 20348.4853 14496.1332 263.6708 -203028.1587 2517.1964 0.0000 0.0000 52208.8566 -109271.6244 300.0450 -161480.4811 -108893.7972 299.5480 -68.9726 -43.6863 763126.6475 10.7963 10.8822 PRESSURE: 2857200 -226.382 -62.951 53.3573 -62.9511 39.3589 -151.259 53.3572 -151.258 107.833 GPRESSURE: 2857200 -82.8111 -63.6802 61.6154 -36.0358 87.3044 -145.81 2.57121 -125.173 38.1108 PRESSAVG: 2857200 11.467 -75.0829 -9.71115 -75.0828 32.9899 -11.5887 -9.71115 -11.5887 -7.32011 GPRESSAVG: 2857200 12.5156 -74.3866 -9.33091 -75.9382 32.7899 -9.45306 -11.4711 -13.024 -7.49996 TIMING: 2857200 CPU: 9095.11, 0.00313352/step Wall: 9095.11, 0.00313352/step, 1.86514 hours remaining, 240.039062 MB of memory in use. ENERGY: 2857200 3975.3469 20314.2023 14593.0557 263.3834 -203020.6738 2475.2183 0.0000 0.0000 52166.8339 -109232.6333 299.8035 -161399.4672 -108866.5122 299.1467 -26.3968 14.2014 761829.3031 12.3789 12.6018 PRESSURE: 2857400 93.3505 -35.2049 197.564 -35.205 118.278 -228.711 197.565 -228.71 46.3629 GPRESSURE: 2857400 42.233 0.298775 177.082 -59.6273 204.724 -79.9759 126.165 -145.949 91.0817 PRESSAVG: 2857400 9.04162 -30.4308 14.6167 -30.4307 57.0466 -17.466 14.6167 -17.4661 15.591 GPRESSAVG: 2857400 8.90697 -27.8836 15.2986 -31.5344 56.3776 -18.1496 15.8993 -16.3486 16.1123 TIMING: 2857400 CPU: 9095.74, 0.00313425/step Wall: 9095.74, 0.00313425/step, 1.8654 hours remaining, 240.039062 MB of memory in use. ENERGY: 2857400 3974.0899 20289.9414 14642.4135 232.8875 -202738.3701 2430.3102 0.0000 0.0000 51885.1664 -109283.5611 298.1848 -161168.7275 -108922.0989 299.2219 85.9972 112.6795 762246.6419 27.2264 27.1323 PRESSURE: 2857600 118.123 18.0141 -103.91 18.0133 -103.927 30.0025 -103.91 30.0034 189.196 GPRESSURE: 2857600 106 61.5074 -82.0428 22.9665 69.1229 -40.8771 -40.8689 -33.4632 129.191 PRESSAVG: 2857600 -67.0911 -7.29986 26.6854 -7.2999 37.9585 -10.2492 26.6853 -10.2492 5.77652 GPRESSAVG: 2857600 -67.944 -9.65912 26.7085 -6.3375 38.9144 -10.6726 25.7864 -12.4431 5.34459 TIMING: 2857600 CPU: 9096.37, 0.00313751/step Wall: 9096.37, 0.00313751/step, 1.86717 hours remaining, 240.039062 MB of memory in use. ENERGY: 2857600 4004.2490 20596.3538 14415.9125 241.0377 -203063.7195 2595.3357 0.0000 0.0000 52172.8851 -109037.9456 299.8383 -161210.8307 -108675.3909 299.4626 67.7975 101.4381 762944.9158 -7.7854 -7.8950 PRESSURE: 2857800 95.2368 44.996 -50.3177 44.9952 6.22018 -12.3895 -50.3187 -12.3903 6.77393 GPRESSURE: 2857800 124.777 238.059 -104.459 134.663 58.5327 58.9787 33.7818 -178.449 6.48735 PRESSAVG: 2857800 36.7354 34.2818 -3.98394 34.2818 -10.6152 -10.953 -3.98398 -10.953 6.14628 GPRESSAVG: 2857800 36.9114 34.162 -5.8441 34.1189 -10.4379 -11.3903 -2.30707 -7.99238 5.91423 TIMING: 2857800 CPU: 9097, 0.0031428/step Wall: 9097, 0.0031428/step, 1.87014 hours remaining, 240.039062 MB of memory in use. ENERGY: 2857800 4083.4733 20360.8066 14519.5340 272.4494 -202848.3998 2428.1503 0.0000 0.0000 52152.5421 -109031.4440 299.7214 -161183.9861 -108674.1960 299.8900 36.0770 63.2656 761892.6811 10.7555 10.7959 PRESSURE: 2858000 -9.14025 -151.067 309.723 -151.067 -110.85 4.93772 309.723 4.93773 -95.9739 GPRESSURE: 2858000 21.9776 -187.086 373.651 -166.227 -81.6968 -35.4857 329.282 81.0786 -71.5518 PRESSAVG: 2858000 29.9413 31.1884 7.4828 31.1884 -49.5571 -25.8699 7.48282 -25.8699 -43.2827 GPRESSAVG: 2858000 30.1724 31.2132 6.97687 30.9439 -50.2948 -25.6127 7.29075 -26.5972 -43.4401 TIMING: 2858000 CPU: 9097.62, 0.00313057/step Wall: 9097.62, 0.00313057/step, 1.86269 hours remaining, 240.039062 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: 2858000 3974.9949 20604.9960 14482.9663 232.2696 -202843.0196 2433.4940 0.0000 0.0000 52125.6687 -108988.6303 299.5669 -161114.2989 -108634.0425 299.7164 -71.9880 -43.7570 762662.4474 -20.9661 -21.1875 PRESSURE: 2858200 -14.6212 29.9663 80.2 29.9663 -289.077 -251.756 80.1992 -251.756 -91.2682 GPRESSURE: 2858200 -4.9687 21.3314 151.683 71.6217 -208.638 -201.812 125.288 -220.37 -87.7951 PRESSAVG: 2858200 9.8806 -39.1824 3.34057 -39.1823 -52.0158 8.95532 3.34054 8.95535 3.90837 GPRESSAVG: 2858200 9.24563 -39.1878 2.83395 -39.2824 -51.8242 9.32987 4.5911 8.22105 4.00237 TIMING: 2858200 CPU: 9098.25, 0.00312826/step Wall: 9098.25, 0.00312826/step, 1.86114 hours remaining, 240.039062 MB of memory in use. ENERGY: 2858200 3969.5974 20287.5839 14502.1532 281.3109 -202794.5151 2599.6584 0.0000 0.0000 52281.1793 -108873.0321 300.4607 -161154.2114 -108502.7755 299.6417 -131.6556 -100.4671 762809.1035 -12.7423 -12.8587 PRESSURE: 2858400 -76.4983 154.209 63.9121 154.208 92.9118 -40.7971 63.9118 -40.7984 85.2279 GPRESSURE: 2858400 -1.76208 144.589 12.9139 79.4143 104.052 -2.94218 60.6594 -87.9222 98.3301 PRESSAVG: 2858400 7.66263 5.05401 72.5816 5.05401 8.44827 -75.8181 72.5816 -75.8182 -14.0712 GPRESSAVG: 2858400 7.47407 4.62466 73.9502 5.30296 7.70229 -75.9317 72.8492 -76.0454 -13.7177 TIMING: 2858400 CPU: 9098.87, 0.0031271/step Wall: 9098.87, 0.0031271/step, 1.86028 hours remaining, 240.039062 MB of memory in use. ENERGY: 2858400 4020.3987 20377.7542 14568.5041 244.0324 -202920.7569 2592.5559 0.0000 0.0000 52067.5394 -109049.9722 299.2329 -161117.5116 -108688.0353 299.8176 33.8805 66.8733 763327.6691 0.6799 0.4862 PRESSURE: 2858600 -48.4214 -133.761 -204.005 -133.762 -140.478 -92.0065 -204.005 -92.006 459.198 GPRESSURE: 2858600 5.24562 -111.407 -134.768 -90.6781 -141.126 -130.856 -176.206 -101.19 482.965 PRESSAVG: 2858600 -5.87666 26.2184 6.71854 26.2185 12.8334 17.33 6.71856 17.3301 -24.8497 GPRESSAVG: 2858600 -6.17421 28.8203 6.01393 27.0757 13.0735 16.5846 4.6894 20.8087 -25.0902 TIMING: 2858600 CPU: 9099.5, 0.00312139/step Wall: 9099.5, 0.00312139/step, 1.85671 hours remaining, 240.039062 MB of memory in use. ENERGY: 2858600 3954.1881 20214.7885 14530.1100 235.9771 -203039.9567 2586.9414 0.0000 0.0000 52350.7420 -109167.2095 300.8604 -161517.9515 -108801.4997 299.6517 90.0997 115.6948 763237.0429 -5.9643 -6.0636 PRESSURE: 2858800 -60.2535 -51.9606 -29.328 -51.9596 -308.502 -41.4083 -29.3274 -41.4075 -573.399 GPRESSURE: 2858800 -53.3146 12.2852 -31.5847 -133.29 -265.583 -0.933694 71.7784 33.8716 -549.295 PRESSAVG: 2858800 12.5888 -17.6682 18.8496 -17.6682 -6.53045 21.7292 18.8497 21.7291 4.73327 GPRESSAVG: 2858800 13.0442 -18.849 19.5337 -18.7767 -7.00699 21.8975 20.0517 20.3367 5.03266 TIMING: 2858800 CPU: 9100.12, 0.00312018/step Wall: 9100.12, 0.00312018/step, 1.85581 hours remaining, 240.039062 MB of memory in use. ENERGY: 2858800 4000.7541 20549.3905 14578.6357 246.3419 -202844.3837 2407.3453 0.0000 0.0000 52147.8919 -108914.0243 299.6947 -161061.9162 -108558.8031 299.4462 -314.0515 -289.3975 763199.3412 3.5972 3.6900 PRESSURE: 2859000 -65.7222 279.109 63.3984 279.11 41.4338 61.1259 63.3976 61.1252 -117.816 GPRESSURE: 2859000 -69.826 74.2042 110.492 259.68 126.76 53.0712 83.6582 21.9211 -121.474 PRESSAVG: 2859000 -14.4735 26.8132 -1.61697 26.8132 -0.176962 37.9321 -1.61702 37.9321 -21.112 GPRESSAVG: 2859000 -14.6128 26.1376 -1.9578 26.3334 0.359086 38.9868 -2.09198 37.3056 -20.9244 TIMING: 2859000 CPU: 9100.75, 0.00313271/step Wall: 9100.75, 0.00313271/step, 1.86309 hours remaining, 240.039062 MB of memory in use. ENERGY: 2859000 3935.1548 20622.1857 14573.0949 263.3989 -202970.3592 2637.2491 0.0000 0.0000 52080.8793 -108858.3965 299.3095 -160939.2758 -108507.3097 299.4902 -47.3682 -21.5132 763108.6614 -11.9208 -11.7261 PRESSURE: 2859200 -108.228 80.4034 -90.8654 80.4035 81.8066 103.806 -90.8653 103.805 -112.416 GPRESSURE: 2859200 -63.5356 -41.0112 -146.8 74.0624 67.2178 108.861 -92.0658 30.5677 -72.7327 PRESSAVG: 2859200 6.24202 23.2316 45.4028 23.2317 23.9766 36.0455 45.4028 36.0455 -20.6683 GPRESSAVG: 2859200 7.11327 24.7054 45.2538 24.3049 23.3416 35.5769 43.6242 33.6551 -20.6834 TIMING: 2859200 CPU: 9101.38, 0.0031332/step Wall: 9101.38, 0.0031332/step, 1.86321 hours remaining, 240.039062 MB of memory in use. ENERGY: 2859200 3962.3661 20594.9552 14524.5473 236.4176 -202421.3348 2108.1556 0.0000 0.0000 52281.0840 -108713.8091 300.4601 -160994.8931 -108348.9002 300.2477 -46.2792 -23.0169 763384.5909 3.1834 3.2572 PRESSURE: 2859400 -38.3817 -28.6005 -44.4189 -28.6005 -139.541 -131.373 -44.4191 -131.375 -69.1021 GPRESSURE: 2859400 31.2944 -67.3208 -58.3121 17.8946 -118.041 -174.974 -0.0776434 -316.946 -66.2107 PRESSAVG: 2859400 13.4945 18.742 -16.9244 18.742 11.1612 -12.1294 -16.9244 -12.1295 -12.8602 GPRESSAVG: 2859400 14.0708 16.5933 -16.8877 19.4403 10.2579 -13.2367 -16.5973 -10.5117 -12.5361 TIMING: 2859400 CPU: 9102, 0.00314236/step Wall: 9102, 0.00314236/step, 1.86848 hours remaining, 240.039062 MB of memory in use. ENERGY: 2859400 4034.4732 20697.0159 14500.9702 268.2251 -202666.1567 2247.0627 0.0000 0.0000 52371.5570 -108546.8526 300.9801 -160918.4096 -108190.3630 300.8911 -82.3415 -50.9857 762088.8616 3.9318 3.9309 PRESSURE: 2859600 65.0367 -65.4783 -26.2626 -65.4784 -231.101 -159.822 -26.2623 -159.823 -266.379 GPRESSURE: 2859600 58.1905 -90.4424 39.6427 -133.676 -152.019 -200.881 -115.433 -189.41 -276.571 PRESSAVG: 2859600 -4.75684 -14.0082 47.8746 -14.0082 -5.76582 -4.81032 47.8746 -4.81037 -14.3065 GPRESSAVG: 2859600 -6.72609 -12.6474 47.8069 -15.4632 -4.02713 -3.33264 46.056 -6.99308 -14.2596 TIMING: 2859600 CPU: 9102.63, 0.00315082/step Wall: 9102.63, 0.00315082/step, 1.87334 hours remaining, 240.039062 MB of memory in use. ENERGY: 2859600 4014.3616 20643.4511 14550.1272 259.8596 -202791.8184 2474.3054 0.0000 0.0000 52368.2657 -108481.4478 300.9611 -160849.7135 -108122.8068 301.4044 -144.1478 -123.4667 763937.8648 -8.2764 -8.3376 PRESSURE: 2859800 275.661 82.4979 21.7627 82.498 210.796 -18.708 21.7619 -18.7073 183.611 GPRESSURE: 2859800 251.774 -50.1641 -39.5974 62.6208 296.707 82.7451 14.817 20.0399 232.758 PRESSAVG: 2859800 -32.0951 -4.8354 23.2304 -4.8354 -8.71129 -38.0108 23.2303 -38.0108 -22.0454 GPRESSAVG: 2859800 -31.14 -5.29831 20.9041 -3.98915 -9.88855 -37.7172 26.0046 -35.8393 -21.7569 TIMING: 2859800 CPU: 9103.26, 0.00313567/step Wall: 9103.26, 0.00313566/step, 1.86415 hours remaining, 240.039062 MB of memory in use. ENERGY: 2859800 3959.4351 20685.8644 14627.6808 234.2003 -203093.1244 2668.1328 0.0000 0.0000 52379.9305 -108537.8806 301.0282 -160917.8110 -108165.1615 300.9799 223.3558 260.4129 761667.9854 -20.9506 -20.9285 PRESSURE: 2860000 63.2339 10.8768 155.111 10.8764 -222.011 146.575 155.111 146.576 -489.757 GPRESSURE: 2860000 -12.8753 55.6068 238.654 -19.5372 -179.464 163.01 269.864 136.699 -375.257 PRESSAVG: 2860000 16.6952 -11.383 21.0758 -11.383 41.4192 -3.97642 21.0758 -3.97643 22.6502 GPRESSAVG: 2860000 15.8726 -10.6704 23.7395 -12.0564 42.0796 -5.68713 20.8257 -3.1719 23.1126 TIMING: 2860000 CPU: 9103.89, 0.0031446/step Wall: 9103.89, 0.00314461/step, 1.86929 hours remaining, 240.039062 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: 2860000 3986.7509 20592.2259 14579.5588 238.0928 -203396.3891 2786.6566 0.0000 0.0000 52500.2993 -108712.8049 301.7199 -161213.1042 -108337.4980 301.3764 -216.1780 -189.1988 762142.9609 26.9216 27.0216 PRESSURE: 2860200 -84.7701 162.628 -26.1843 162.628 63.4726 -161.24 -26.1842 -161.24 86.9947 GPRESSURE: 2860200 -42.5985 131.936 19.7 199.754 108.407 -102.098 70.7531 -331.117 62.7076 PRESSAVG: 2860200 -15.0125 -5.57728 -29.3718 -5.5773 -21.8587 -9.93219 -29.3717 -9.93222 -9.96808 GPRESSAVG: 2860200 -14.2566 -4.93675 -29.9579 -5.13198 -22.3743 -9.9934 -27.4612 -11.864 -10.5587 TIMING: 2860200 CPU: 9104.52, 0.00313639/step Wall: 9104.52, 0.00313639/step, 1.86424 hours remaining, 240.039062 MB of memory in use. ENERGY: 2860200 3976.7180 20648.0755 14522.3914 240.2298 -202771.6446 2489.3244 0.0000 0.0000 51976.7966 -108918.1090 298.7114 -160894.9056 -108554.2023 300.4530 21.8991 42.8388 764289.1240 -15.6131 -15.7299 LDB: ============= START OF LOAD BALANCING ============== 9116.97 LDB: ============== END OF LOAD BALANCING =============== 9116.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9116.97 LDB: ============= START OF LOAD BALANCING ============== 9117.28 LDB: Largest compute 7060 load 0.034289 is 17.6% of average load 0.195290 LDB: Average compute 0.004376 is 2.2% of average load 0.195290 LDB: TIME 9117.29 LOAD: AVG 0.19529 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 9117.29 LOAD: AVG 0.19529 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: TIME 9117.29 LOAD: AVG 0.19529 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: ============== END OF LOAD BALANCING =============== 9117.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9117.3 PRESSURE: 2860400 -215.434 -30.3164 48.9394 -30.3159 153.593 -64.5731 48.9396 -64.5733 37.2392 GPRESSURE: 2860400 -125.048 -1.87571 0.329076 -26.8005 96.2963 -144.328 34.9866 42.1438 80.185 PRESSAVG: 2860400 -15.6061 -12.0624 53.0688 -12.0623 14.3919 -5.72246 53.0688 -5.7225 19.309 GPRESSAVG: 2860400 -15.3317 -13.2427 54.1831 -13.1162 14.2922 -6.24643 50.4809 -3.05187 19.2043 TIMING: 2860400 CPU: 9105.16, 0.00321314/step Wall: 9105.16, 0.00321314/step, 1.90968 hours remaining, 240.675781 MB of memory in use. ENERGY: 2860400 4001.1666 20453.3083 14586.8215 246.7682 -203196.8461 2528.1932 0.0000 0.0000 52288.4023 -109092.1860 300.5022 -161380.5883 -108726.5567 300.3041 -8.2004 17.1445 763403.9441 6.0316 6.0549 PRESSURE: 2860600 142.573 92.7485 -88.457 92.7496 -171.089 199.362 -88.4561 199.36 -88.7387 GPRESSURE: 2860600 71.5542 83.6642 -127.022 146.643 24.6568 172.879 34.608 133.388 -111.168 PRESSAVG: 2860600 -2.82038 -47.4479 2.85848 -47.4479 9.27418 23.7744 2.85848 23.7744 1.14226 GPRESSAVG: 2860600 -4.27063 -44.8291 3.43914 -47.3254 9.94801 25.2699 4.39816 23.1898 1.62663 TIMING: 2860600 CPU: 9105.79, 0.00313001/step Wall: 9105.79, 0.00313001/step, 1.86009 hours remaining, 240.675781 MB of memory in use. ENERGY: 2860600 3933.5956 20551.9508 14457.9575 242.6261 -202925.1178 2335.2493 0.0000 0.0000 52348.1039 -109055.6345 300.8453 -161403.7384 -108694.5822 299.8869 -39.0850 -4.9856 762130.2422 2.5320 2.4347 PRESSURE: 2860800 -302.046 72.8801 -105.975 72.8794 -9.08484 -263.496 -105.974 -263.495 -80.0791 GPRESSURE: 2860800 -270.137 11.4232 -156.876 39.5542 -18.6158 -258.554 -30.6581 -75.0532 -6.82408 PRESSAVG: 2860800 -38.3824 22.8873 -54.9299 22.8873 21.9961 55.4894 -54.9299 55.4894 -5.07528 GPRESSAVG: 2860800 -38.9581 20.8362 -55.7816 21.8819 21.6086 56.4916 -56.0689 54.4169 -4.69356 TIMING: 2860800 CPU: 9106.41, 0.00312302/step Wall: 9106.41, 0.00312302/step, 1.85577 hours remaining, 240.675781 MB of memory in use. ENERGY: 2860800 3980.1174 20618.8158 14534.2739 257.0988 -203189.1585 2532.1013 0.0000 0.0000 52195.9767 -109070.7746 299.9710 -161266.7513 -108706.0996 300.1221 -130.4034 -98.5256 763272.8253 -7.1539 -7.3477 PRESSURE: 2861000 68.3924 -94.9423 -49.8361 -94.9424 151 -37.6383 -49.8365 -37.6384 525.728 GPRESSURE: 2861000 160.684 -32.5129 -124.667 -164.941 135.958 11.8355 -135.602 -38.5478 528.916 PRESSAVG: 2861000 -7.46318 -27.1376 -42.1803 -27.1376 9.35197 -3.34522 -42.1803 -3.34516 -3.15251 GPRESSAVG: 2861000 -7.01289 -26.5175 -42.5794 -26.948 8.62412 -5.25714 -41.5311 -2.29053 -3.10894 TIMING: 2861000 CPU: 9107.04, 0.00312371/step Wall: 9107.04, 0.00312371/step, 1.856 hours remaining, 240.675781 MB of memory in use. ENERGY: 2861000 3965.7928 20464.2146 14519.3632 235.4000 -203010.0087 2491.1732 0.0000 0.0000 52121.6021 -109212.4628 299.5436 -161334.0649 -108851.7292 300.0263 248.3733 275.1859 762839.0047 -0.4212 -0.4992 PRESSURE: 2861200 -24.3645 -113.338 233.452 -113.337 17.5694 110.576 233.452 110.576 356.044 GPRESSURE: 2861200 7.28836 -131.553 296.919 22.119 36.5835 19.6994 131.332 111.07 374.007 PRESSAVG: 2861200 -10.6676 -57.4165 -48.8348 -57.4165 -8.13447 -26.913 -48.8348 -26.913 3.47512 GPRESSAVG: 2861200 -9.65937 -57.6952 -47.7126 -56.3338 -6.85073 -27.482 -50.1517 -27.7815 1.51884 TIMING: 2861200 CPU: 9107.66, 0.00312078/step Wall: 9107.66, 0.00312078/step, 1.85409 hours remaining, 240.675781 MB of memory in use. ENERGY: 2861200 3990.1467 20544.6085 14609.4492 239.4911 -203190.6535 2617.9119 0.0000 0.0000 52061.8915 -109127.1546 299.2004 -161189.0461 -108758.7647 299.2738 116.4163 139.2928 760934.3213 -5.1090 -4.9971 PRESSURE: 2861400 -170.992 -28.859 -380.827 -28.8597 17.4013 -284.303 -380.827 -284.303 41.5631 GPRESSURE: 2861400 -183.79 7.65536 -418.229 -1.04572 18.3392 -206.568 -250.09 -199.684 150.184 PRESSAVG: 2861400 10.4782 -21.2371 -3.98107 -21.2371 -2.76117 15.0325 -3.9811 15.0324 -0.299563 GPRESSAVG: 2861400 10.6566 -21.2829 -4.49304 -20.8103 -4.50033 15.3037 -2.23411 16.1694 1.22603 TIMING: 2861400 CPU: 9108.29, 0.00313044/step Wall: 9108.29, 0.00313044/step, 1.85966 hours remaining, 240.675781 MB of memory in use. ENERGY: 2861400 4025.6185 20582.0209 14609.4386 256.9820 -203043.4534 2266.2615 0.0000 0.0000 52062.6224 -109240.5095 299.2046 -161303.1319 -108890.7180 299.6200 -37.3425 -5.0888 760479.0837 2.4725 2.4608 PRESSURE: 2861600 -92.6993 11.0225 -55.7115 11.0221 -269.775 -50.4128 -55.7113 -50.4134 129.126 GPRESSURE: 2861600 -136.387 -124.124 -46.9158 26.3209 -180.418 97.0066 -110.499 -22.6289 154.241 PRESSAVG: 2861600 28.6291 -8.42273 -2.93285 -8.42269 17.6939 -16.6082 -2.93286 -16.6082 9.30422 GPRESSAVG: 2861600 27.7722 -9.5301 -4.31553 -8.54156 19.2411 -16.0681 -1.5959 -18.1313 8.49838 TIMING: 2861600 CPU: 9108.91, 0.00311568/step Wall: 9108.91, 0.00311568/step, 1.85072 hours remaining, 240.675781 MB of memory in use. ENERGY: 2861600 4020.8137 20542.7058 14640.9081 269.2288 -203244.3965 2268.3226 0.0000 0.0000 52138.9989 -109363.4185 299.6435 -161502.4174 -109004.5550 299.8671 -77.7827 -54.1877 759827.6208 18.5424 18.5039 PRESSURE: 2861800 -8.12695 71.9549 -86.8414 71.9552 -177.435 -107.17 -86.841 -107.17 -7.26716 GPRESSURE: 2861800 23.0148 158.75 -35.8993 20.8656 -149.633 -92.209 -87.7271 -40.7888 -1.45289 PRESSAVG: 2861800 26.1643 -33.9651 16.6408 -33.9652 5.58856 17.9589 16.6408 17.9589 8.34244 GPRESSAVG: 2861800 26.4492 -33.6135 17.8232 -35.5156 4.20233 17.9272 15.2589 21.3373 9.32392 TIMING: 2861800 CPU: 9109.53, 0.00312605/step Wall: 9109.53, 0.00312605/step, 1.8567 hours remaining, 240.675781 MB of memory in use. ENERGY: 2861800 3990.3274 20628.2965 14542.3191 251.0722 -203711.8320 2752.6613 0.0000 0.0000 51988.8869 -109558.2686 298.7808 -161547.1555 -109201.6385 298.7215 -64.2763 -42.6904 761861.4965 13.3651 13.3252 PRESSURE: 2862000 310.33 -145.558 50.893 -145.558 -58.0627 -3.61977 50.893 -3.61994 -193.007 GPRESSURE: 2862000 279.6 -35.5303 -1.70777 -205.446 36.5077 -1.61078 60.4562 -111.471 -179.764 PRESSAVG: 2862000 13.9408 12.9977 -34.5022 12.9978 -20.2934 42.8467 -34.5022 42.8467 3.85072 GPRESSAVG: 2862000 14.4145 14.2853 -35.2108 13.1047 -19.9271 43.0499 -34.5295 37.3298 3.28835 TIMING: 2862000 CPU: 9110.16, 0.00312383/step Wall: 9110.16, 0.00312383/step, 1.85521 hours remaining, 240.675781 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: 2862000 3994.6327 20454.0856 14570.0986 216.7770 -203714.1344 2829.0186 0.0000 0.0000 52019.7757 -109629.7462 298.9584 -161649.5219 -109275.4576 298.4119 19.7534 45.4478 762395.7795 -0.8340 -0.7414 PRESSURE: 2862200 -365.242 -131.999 157.96 -132 -2.61676 -148.93 157.961 -148.929 247.46 GPRESSURE: 2862200 -290.451 -192.075 122.06 4.60753 16.5462 -121.937 144.022 -111.013 257.249 PRESSAVG: 2862200 12.3373 -14.4961 52.028 -14.4961 -21.6644 -18.5495 52.028 -18.5495 -13.2434 GPRESSAVG: 2862200 10.3804 -15.2197 52.2889 -11.9354 -19.2971 -17.9479 50.8794 -15.6847 -13.1926 TIMING: 2862200 CPU: 9110.79, 0.00314404/step Wall: 9110.79, 0.00314404/step, 1.86704 hours remaining, 240.675781 MB of memory in use. ENERGY: 2862200 3967.7390 20548.0598 14510.7142 247.1280 -203581.7392 2688.6101 0.0000 0.0000 52115.4015 -109504.0866 299.5079 -161619.4881 -109142.6361 298.7277 -40.1329 -5.5518 761908.0502 -7.5235 -7.3698 PRESSURE: 2862400 -295.216 65.1765 10.8466 65.1763 -13.5389 -133.216 10.846 -133.216 294.886 GPRESSURE: 2862400 -275.585 57.449 56.4035 -66.5209 57.6624 -9.38901 -48.8111 -95.8202 276.183 PRESSAVG: 2862400 28.6653 -32.9651 24.1787 -32.965 -3.12241 3.61295 24.1787 3.61298 7.20102 GPRESSAVG: 2862400 29.3807 -31.6843 24.075 -34.9174 -4.64363 3.22813 25.0882 3.23307 7.92905 TIMING: 2862400 CPU: 9111.41, 0.0031296/step Wall: 9111.41, 0.0031296/step, 1.85829 hours remaining, 240.675781 MB of memory in use. ENERGY: 2862400 3894.2423 20606.8288 14578.8599 244.7904 -203223.5209 2319.3082 0.0000 0.0000 51977.4298 -109602.0614 298.7150 -161579.4913 -109238.7027 298.8848 -4.6229 19.4202 762860.3696 10.9146 10.8887 PRESSURE: 2862600 92.4858 163.083 246.316 163.083 -181.101 20.7593 246.316 20.7587 -101.687 GPRESSURE: 2862600 25.9149 26.4125 289.036 95.4509 -3.4374 124.26 135.842 -155.61 -128.076 PRESSAVG: 2862600 58.6234 -17.3307 -12.6553 -17.3308 -33.5289 58.9327 -12.6553 58.9328 9.45165 GPRESSAVG: 2862600 57.1716 -19.9792 -11.6342 -19.993 -31.9882 60.3181 -13.3014 58.5105 8.76492 TIMING: 2862600 CPU: 9112.04, 0.00313366/step Wall: 9112.04, 0.00313366/step, 1.86052 hours remaining, 240.675781 MB of memory in use. ENERGY: 2862600 3985.1884 20484.1518 14547.5419 240.1427 -203654.4585 2721.3245 0.0000 0.0000 51889.2027 -109786.9065 298.2080 -161676.1092 -109421.5132 298.3115 -63.4340 -35.1996 762049.8349 11.5154 11.3161 PRESSURE: 2862800 -551.961 -106.228 108.92 -106.229 -169.699 10.9501 108.92 10.9503 -125.898 GPRESSURE: 2862800 -424.458 -65.7509 96.0688 -57.6437 -208.301 1.61078 32.3183 51.0779 -134.07 PRESSAVG: 2862800 -2.37744 -35.6832 -4.66104 -35.6832 -12.3177 63.7388 -4.66106 63.7388 -14.7415 GPRESSAVG: 2862800 -0.854425 -32.6997 -5.31608 -34.6365 -14.7998 62.8797 -3.91698 63.2719 -13.8474 TIMING: 2862800 CPU: 9112.67, 0.00313239/step Wall: 9112.67, 0.00313239/step, 1.85959 hours remaining, 240.675781 MB of memory in use. ENERGY: 2862800 3951.6584 20396.8986 14479.9794 243.4186 -203219.6015 2413.9235 0.0000 0.0000 51876.2457 -109857.4773 298.1335 -161733.7229 -109492.2224 297.9227 -282.5191 -255.6098 763379.5223 -9.8122 -9.8339 PRESSURE: 2863000 218.156 -176.773 12.2939 -176.773 -10.168 -42.6641 12.2937 -42.6638 56.7164 GPRESSURE: 2863000 192.378 -147.251 50.2545 -182.459 101.624 3.57882 -61.9571 -44.7637 57.2239 PRESSAVG: 2863000 9.69243 -29.0295 -16.2285 -29.0295 10.2093 27.5734 -16.2286 27.5734 4.43046 GPRESSAVG: 2863000 9.69661 -31.5252 -16.888 -27.4978 10.6126 26.379 -16.6948 28.8303 3.50293 TIMING: 2863000 CPU: 9113.3, 0.00315078/step Wall: 9113.3, 0.00315078/step, 1.87034 hours remaining, 240.675781 MB of memory in use. ENERGY: 2863000 3983.8756 20319.6849 14525.1236 244.1009 -203638.2564 2913.8702 0.0000 0.0000 51760.0294 -109891.5719 297.4656 -161651.6013 -109534.8302 297.9686 88.2349 117.0755 761789.6572 8.1107 7.9374 PRESSURE: 2863200 242.989 -111.14 -31.5123 -111.139 -91.447 -64.3664 -31.5115 -64.3665 11.6625 GPRESSURE: 2863200 289.844 -84.5528 -11.2442 -153.668 32.4775 -110.803 -12.4906 -66.491 -49.5184 PRESSAVG: 2863200 -11.796 -24.4473 -1.04769 -24.4473 6.12882 33.9246 -1.04774 33.9246 -11.9657 GPRESSAVG: 2863200 -13.3347 -23.2644 0.335088 -24.8853 6.25517 33.862 -0.421104 35.2808 -11.1979 TIMING: 2863200 CPU: 9113.93, 0.0031479/step Wall: 9113.93, 0.0031479/step, 1.86845 hours remaining, 240.675781 MB of memory in use. ENERGY: 2863200 4022.5992 20299.6669 14534.1900 253.0470 -203702.5399 2884.2442 0.0000 0.0000 51847.1291 -109861.6636 297.9662 -161708.7927 -109504.5977 297.9883 54.4014 90.9344 759914.6059 -5.8776 -6.0925 PRESSURE: 2863400 -273.446 -86.453 -146.304 -86.4523 -76.3202 46.0779 -146.304 46.0793 -249.418 GPRESSURE: 2863400 -210.92 -6.9162 -69.6502 -57.6764 -81.7664 11.6272 -140.938 83.2021 -209.006 PRESSAVG: 2863400 -47.4664 24.5716 -15.0434 24.5716 38.9887 23.558 -15.0434 23.558 -0.79897 GPRESSAVG: 2863400 -47.1482 24.6331 -15.5106 23.516 39.5433 23.8751 -14.8303 23.2492 -2.05182 TIMING: 2863400 CPU: 9114.55, 0.00313965/step Wall: 9114.55, 0.00313965/step, 1.86338 hours remaining, 240.675781 MB of memory in use. ENERGY: 2863400 4002.6092 20408.4288 14551.1052 229.8231 -203472.6549 2448.9168 0.0000 0.0000 51971.0154 -109860.7563 298.6781 -161831.7717 -109504.0282 297.9763 -199.7279 -167.2311 761114.4626 -3.0922 -3.2189 PRESSURE: 2863600 109.007 -103.216 -40.8599 -103.216 216.609 124.669 -40.8599 124.67 305.951 GPRESSURE: 2863600 136.278 -48.5787 -89.6981 -157.145 180.651 172.006 -139.777 68.0924 374.697 PRESSAVG: 2863600 -41.5764 28.9955 -37.7608 28.9954 33.3487 -35.134 -37.7608 -35.134 6.04932 GPRESSAVG: 2863600 -40.8789 28.8528 -38.6075 29.522 32.9531 -35.3317 -38.3091 -34.5828 5.50051 TIMING: 2863600 CPU: 9115.18, 0.00313526/step Wall: 9115.18, 0.00313526/step, 1.8606 hours remaining, 240.675781 MB of memory in use. ENERGY: 2863600 4007.7866 20491.4420 14519.9845 240.2742 -203991.4072 2908.1495 0.0000 0.0000 51715.5639 -110108.2065 297.2101 -161823.7704 -109751.6607 297.5833 210.5224 230.5422 760541.4971 -0.7261 -0.8084 PRESSURE: 2863800 -173.066 1.9257 -62.453 1.92576 -116.519 19.9937 -62.4523 19.9935 -173.63 GPRESSURE: 2863800 -102.006 -29.1365 -35.1903 -26.8653 -37.3715 -42.3176 -127.262 -28.5225 -246.105 PRESSAVG: 2863800 17.9204 32.6464 -54.2225 32.6464 2.40773 -0.901053 -54.2225 -0.901118 -14.4371 GPRESSAVG: 2863800 18.3369 31.7396 -52.5524 32.5769 1.39367 -0.55814 -55.1527 -2.75867 -13.7513 TIMING: 2863800 CPU: 9115.81, 0.00314731/step Wall: 9115.81, 0.00314731/step, 1.86758 hours remaining, 240.675781 MB of memory in use. ENERGY: 2863800 3933.3836 20366.3625 14516.6859 251.9973 -204017.2954 2798.5354 0.0000 0.0000 52190.6142 -109959.7165 299.9402 -162150.3306 -109589.8471 297.6884 -154.4051 -128.4943 760742.9732 1.9637 1.9931 PRESSURE: 2864000 27.3158 84.5556 12.2343 84.556 199.928 145.413 12.234 145.413 -187.944 GPRESSURE: 2864000 182.248 165.84 79.5817 70.0256 100.277 256.21 44.9373 -25.5435 -142.511 PRESSAVG: 2864000 -17.9493 -23.1557 -27.4399 -23.1557 -39.2308 54.52 -27.44 54.5201 -1.71313 GPRESSAVG: 2864000 -18.7461 -20.6327 -27.5932 -23.0469 -37.2572 54.025 -26.1213 54.2735 -2.58221 TIMING: 2864000 CPU: 9116.44, 0.00314212/step Wall: 9116.44, 0.00314212/step, 1.86432 hours remaining, 240.675781 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: 2864000 3994.5636 20482.6819 14509.3793 238.2836 -203896.7185 2905.3943 0.0000 0.0000 51999.9147 -109766.5012 298.8442 -161766.4159 -109403.6631 298.1015 13.0999 46.6713 761047.4503 -19.6311 -19.5285 PRESSURE: 2864200 9.61478 -1.1429 173.598 -1.14328 -331.423 -212.202 173.599 -212.201 -180.83 GPRESSURE: 2864200 96.7315 83.4781 122.133 36.4719 -320.378 -186.124 157.326 -148.433 -162.364 PRESSAVG: 2864200 34.9554 -13.989 -17.2628 -13.989 7.91403 -2.48526 -17.2628 -2.48519 -6.75529 GPRESSAVG: 2864200 35.4984 -13.5407 -16.8277 -15.4227 6.79341 -1.87988 -21.4866 -1.83586 -6.09209 TIMING: 2864200 CPU: 9117.07, 0.00314859/step Wall: 9117.07, 0.00314859/step, 1.86799 hours remaining, 240.675781 MB of memory in use. ENERGY: 2864200 3989.5812 20523.1708 14523.0430 236.3165 -203432.5017 2367.0374 0.0000 0.0000 52013.6450 -109779.7078 298.9231 -161793.3528 -109414.2896 298.6874 -167.5461 -128.6701 760702.8251 12.0381 12.0666 LDB: ============= START OF LOAD BALANCING ============== 9129.52 LDB: ============== END OF LOAD BALANCING =============== 9129.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9129.52 LDB: ============= START OF LOAD BALANCING ============== 9129.83 LDB: Largest compute 7060 load 0.034001 is 17.4% of average load 0.195455 LDB: Average compute 0.004383 is 2.2% of average load 0.195455 LDB: TIME 9129.84 LOAD: AVG 0.195455 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9129.84 LOAD: AVG 0.195455 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 9129.84 LOAD: AVG 0.195455 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 9129.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9129.84 PRESSURE: 2864400 -85.5105 -27.2148 46.9876 -27.2145 -9.82845 -144.909 46.9864 -144.908 -535.346 GPRESSURE: 2864400 -38.673 -18.9573 92.3783 105.112 7.50204 -221.487 91.4466 -209.867 -523.211 PRESSAVG: 2864400 -3.56058 -47.014 -8.45563 -47.0141 1.67708 -24.8257 -8.45564 -24.8257 -15.6229 GPRESSAVG: 2864400 -4.437 -48.2164 -10.4021 -44.7548 2.16583 -26.2657 -4.35034 -23.4078 -14.9891 TIMING: 2864400 CPU: 9117.71, 0.00319847/step Wall: 9117.71, 0.00319846/step, 1.8974 hours remaining, 240.609375 MB of memory in use. ENERGY: 2864400 3968.6148 20649.4577 14492.8145 264.1469 -202979.1444 2259.2350 0.0000 0.0000 51785.0534 -109559.8221 297.6094 -161344.8755 -109197.3179 298.2856 -210.2282 -184.7941 762921.9701 -5.8355 -5.7534 PRESSURE: 2864600 -160.334 172.766 13.9883 172.767 76.3824 315.41 13.9884 315.411 208.297 GPRESSURE: 2864600 -167.384 162.339 0.138883 121.882 183.033 344.589 -130.052 237.117 199.31 PRESSAVG: 2864600 -12.9376 26.5659 -20.8531 26.5659 46.6979 -44.7854 -20.8531 -44.7855 -10.1651 GPRESSAVG: 2864600 -12.0381 27.1392 -19.4501 23.2397 47.0062 -44.1349 -21.3842 -46.5812 -10.3671 TIMING: 2864600 CPU: 9118.34, 0.00316323/step Wall: 9118.34, 0.00316323/step, 1.87632 hours remaining, 240.812500 MB of memory in use. ENERGY: 2864600 3952.7661 20599.0492 14434.7956 259.5393 -203243.3093 2622.7500 0.0000 0.0000 52065.3414 -109309.0676 299.2202 -161374.4090 -108943.1675 299.0017 41.4483 71.6529 762633.7462 7.8651 8.2004 PRESSURE: 2864800 -458.191 -181.703 187.016 -181.703 -169.57 -38.9988 187.016 -38.9982 -13.7602 GPRESSURE: 2864800 -397.667 -224.415 213.139 -108.327 -180.827 -118.633 271.062 15.7456 15.9426 PRESSAVG: 2864800 -23.8316 24.4057 -30.3155 24.4057 12.8196 1.2032 -30.3155 1.20316 0.801057 GPRESSAVG: 2864800 -24.8945 23.5279 -31.3492 25.1238 12.58 0.883919 -29.7244 2.19343 2.04177 TIMING: 2864800 CPU: 9118.97, 0.00315457/step Wall: 9118.97, 0.00315458/step, 1.87101 hours remaining, 240.812500 MB of memory in use. ENERGY: 2864800 3956.1546 20651.8903 14487.6141 241.6841 -203015.7954 2386.1666 0.0000 0.0000 51888.0024 -109404.2832 298.2011 -161292.2856 -109042.8492 298.7946 -213.8403 -187.5175 762788.2255 -3.4037 -3.4242 PRESSURE: 2865000 -77.0899 -91.6989 8.80861 -91.698 120.241 -237.801 8.80882 -237.801 -2.86264 GPRESSURE: 2865000 26.4376 -174.367 62.4775 -123.298 133.58 -154.909 49.9362 -303.505 -34.7635 PRESSAVG: 2865000 -34.6948 -39.5546 1.51897 -39.5545 10.2464 40.7385 1.51894 40.7385 14.9263 GPRESSAVG: 2865000 -33.0354 -40.2507 0.899294 -38.398 9.64111 41.5204 4.04753 39.9625 13.4393 TIMING: 2865000 CPU: 9119.61, 0.00316535/step Wall: 9119.61, 0.00316535/step, 1.87723 hours remaining, 240.812500 MB of memory in use. ENERGY: 2865000 3994.6698 20448.6720 14523.1142 240.1977 -203515.0978 2520.1075 0.0000 0.0000 52557.6165 -109230.7200 302.0493 -161788.3366 -108866.5237 299.5508 13.4295 41.7514 760092.5806 -3.1741 -3.3183 PRESSURE: 2865200 87.2463 6.95719 154.328 6.95784 -349.732 -151.616 154.328 -151.615 148.199 GPRESSURE: 2865200 16.3972 -59.4441 205.725 81.4902 -334.798 -53.5957 -9.26444 -118.895 292.764 PRESSAVG: 2865200 -50.5314 24.7783 -5.11234 24.7782 34.0773 -11.7947 -5.11237 -11.7947 -3.66109 GPRESSAVG: 2865200 -52.1108 26.7239 -4.74278 26.234 35.4661 -12.1678 -8.32632 -11.5412 -3.31823 TIMING: 2865200 CPU: 9120.24, 0.00315167/step Wall: 9120.24, 0.00315167/step, 1.86894 hours remaining, 240.812500 MB of memory in use. ENERGY: 2865200 3995.3198 20526.7942 14497.3566 240.7748 -202965.5138 2325.7200 0.0000 0.0000 52281.0887 -109098.4596 300.4601 -161379.5483 -108734.9384 299.6388 -38.0955 -8.5457 762683.6109 -6.7050 -6.6543 PRESSURE: 2865400 -190.471 43.8948 169.726 43.894 -261.961 -88.685 169.725 -88.6853 -297.692 GPRESSURE: 2865400 -180.358 112.551 74.6608 53.6793 -175.396 -120.264 233.426 -170.488 -297.199 PRESSAVG: 2865400 -15.6642 4.0004 22.6638 4.00044 -30.3936 -3.4122 22.6638 -3.41229 -11.6783 GPRESSAVG: 2865400 -14.9374 3.23805 23.0394 2.99273 -30.6979 -4.00194 23.7418 -3.992 -12.0413 TIMING: 2865400 CPU: 9120.87, 0.0031614/step Wall: 9120.87, 0.0031614/step, 1.87454 hours remaining, 240.812500 MB of memory in use. ENERGY: 2865400 3992.1925 20561.0307 14533.6420 257.0516 -203266.4459 2794.3466 0.0000 0.0000 51910.0338 -109218.1487 298.3277 -161128.1826 -108859.0354 299.5568 -250.0416 -217.6509 763395.4664 -19.2454 -19.2255 PRESSURE: 2865600 302.631 168.725 41.1833 168.724 -64.338 -121.063 41.183 -121.063 373.016 GPRESSURE: 2865600 296.722 100.155 67.8514 139.9 39.624 -153.361 71.9741 -174.147 349.345 PRESSAVG: 2865600 1.28329 -5.16301 -34.1097 -5.16304 -19.8138 22.201 -34.1097 22.2011 -7.41895 GPRESSAVG: 2865600 -0.0229964 -6.87711 -34.3421 -5.61395 -17.9214 21.2497 -36.4769 21.3118 -8.45811 TIMING: 2865600 CPU: 9121.5, 0.0031518/step Wall: 9121.5, 0.0031518/step, 1.86867 hours remaining, 240.812500 MB of memory in use. ENERGY: 2865600 3937.1850 20529.9021 14549.0690 242.4238 -203384.8457 2848.2238 0.0000 0.0000 52159.6360 -109118.4061 299.7621 -161278.0421 -108756.1251 299.3748 203.7699 228.5637 762578.3367 -8.6498 -8.8008 PRESSURE: 2865800 -77.7553 -25.6562 -135.75 -25.6565 345.813 42.3105 -135.75 42.3108 -352.07 GPRESSURE: 2865800 117.414 2.28586 -142.463 -95.4607 229.868 53.6006 -199.282 43.5647 -337.436 PRESSAVG: 2865800 -31.0163 42.6067 -4.2092 42.6068 33.9585 -18.9405 -4.20918 -18.9404 9.46597 GPRESSAVG: 2865800 -28.1977 43.8407 -3.27809 41.7105 32.5208 -17.4392 -3.88854 -18.4549 8.61258 TIMING: 2865800 CPU: 9122.13, 0.0031471/step Wall: 9122.13, 0.0031471/step, 1.86571 hours remaining, 240.812500 MB of memory in use. ENERGY: 2865800 4001.1599 20496.0043 14512.8951 254.1816 -203164.5273 2705.7056 0.0000 0.0000 52117.5295 -109077.0514 299.5202 -161194.5809 -108706.9815 299.1912 -28.0041 3.2824 762151.4804 4.1361 4.3119 PRESSURE: 2866000 -216.962 -6.52957 -132.708 -6.52951 149.244 60.181 -132.709 60.182 -88.0172 GPRESSURE: 2866000 -149.648 -0.94124 -123.908 104.295 123.582 42.3089 -81.0667 60.1108 -29.4503 PRESSAVG: 2866000 -13.6085 15.8171 59.2656 15.8171 34.4879 -19.4861 59.2657 -19.4861 13.3888 GPRESSAVG: 2866000 -14.1823 17.6413 58.0722 17.0008 34.1893 -18.6936 60.2918 -17.9192 14.6653 TIMING: 2866000 CPU: 9122.76, 0.00314167/step Wall: 9122.76, 0.00314167/step, 1.86231 hours remaining, 240.812500 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: 2866000 4044.3039 20404.4665 14608.6290 250.8081 -202998.2426 2389.7903 0.0000 0.0000 52205.3900 -109094.8547 300.0251 -161300.2447 -108733.4621 299.8104 -51.9117 -18.5055 763763.3250 11.4227 11.5574 PRESSURE: 2866200 -111.193 88.3992 167.748 88.3996 184.028 160.949 167.747 160.951 32.4028 GPRESSURE: 2866200 -95.1152 77.0109 147.089 139.796 224.21 158.853 37.9164 136.52 46.3185 PRESSAVG: 2866200 -12.7813 83.5656 -6.42031 83.5656 27.9744 16.9149 -6.42032 16.9149 -6.67458 GPRESSAVG: 2866200 -13.7853 82.022 -7.09525 83.9631 28.491 15.6076 -6.70565 15.2254 -6.5948 TIMING: 2866200 CPU: 9123.39, 0.00315973/step Wall: 9123.39, 0.00315973/step, 1.87284 hours remaining, 240.812500 MB of memory in use. ENERGY: 2866200 3871.7271 20632.9621 14595.7461 251.8946 -203119.1554 2549.0199 0.0000 0.0000 52181.0488 -109036.7568 299.8852 -161217.8056 -108678.6355 299.8000 35.0792 58.4710 763508.6483 2.8395 2.7036 PRESSURE: 2866400 -243.879 131.33 -105.825 131.33 -313.731 -195.686 -105.826 -195.686 30.8114 GPRESSURE: 2866400 -159.178 76.9815 -216.086 249.537 -290.267 -217.967 -37.2663 -101.493 -10.7929 PRESSAVG: 2866400 -29.8893 75.2221 -7.55412 75.2222 -28.5703 1.78752 -7.55417 1.78752 5.54979 GPRESSAVG: 2866400 -28.7356 75.1247 -5.41915 73.155 -28.9869 3.65541 -7.56474 2.39404 5.48255 TIMING: 2866400 CPU: 9124.01, 0.00312885/step Wall: 9124.01, 0.00312885/step, 1.85436 hours remaining, 240.812500 MB of memory in use. ENERGY: 2866400 3998.8016 20620.5139 14608.3769 265.5965 -203009.4597 2444.1282 0.0000 0.0000 52045.4373 -109026.6053 299.1058 -161072.0427 -108663.1952 299.9828 -175.5995 -153.4126 764098.5816 -17.6366 -17.4133 PRESSURE: 2866600 75.1149 -68.9517 128.358 -68.9525 237.878 211.998 128.359 211.997 106.944 GPRESSURE: 2866600 139.417 -108.814 153.019 -145.876 267.813 65.0547 40.7139 227.004 69.1559 PRESSAVG: 2866600 3.52246 23.9305 13.5071 23.9305 -22.7234 11.6492 13.5071 11.6492 13.0043 GPRESSAVG: 2866600 2.27917 25.2335 13.0958 24.2165 -22.4011 9.61931 12.6821 11.3554 13.4991 TIMING: 2866600 CPU: 9124.64, 0.00314051/step Wall: 9124.64, 0.00314051/step, 1.8611 hours remaining, 240.812500 MB of memory in use. ENERGY: 2866600 4021.7648 20365.3414 14544.6617 238.5927 -203257.1545 2756.9034 0.0000 0.0000 52209.1070 -109120.7834 300.0465 -161329.8904 -108757.5252 299.6382 139.9790 158.7956 762490.5831 -2.0656 -2.2076 PRESSURE: 2866800 -216.458 -118.397 -239.396 -118.397 113.477 -102.787 -239.397 -102.787 -123.505 GPRESSURE: 2866800 -107.424 -37.3517 -312.505 -156.308 101.847 -83.3691 -194.619 -151.523 -134.951 PRESSAVG: 2866800 -6.70728 30.2327 14.0267 30.2327 -17.8953 -21.0252 14.0267 -21.0251 -2.28861 GPRESSAVG: 2866800 -6.15402 29.4197 13.6996 30.3665 -17.8831 -17.9025 15.366 -22.795 -2.52937 TIMING: 2866800 CPU: 9125.27, 0.00312832/step Wall: 9125.27, 0.00312832/step, 1.8537 hours remaining, 240.812500 MB of memory in use. ENERGY: 2866800 3987.9119 20502.8388 14561.6791 239.3304 -202935.0264 2665.6953 0.0000 0.0000 51865.7215 -109111.8493 298.0730 -160977.5708 -108754.2880 299.7703 -75.4954 -46.8429 763103.0910 -8.9637 -8.8555 PRESSURE: 2867000 118.133 -185.409 -123.663 -185.409 -63.9759 47.8643 -123.663 47.8646 -158.364 GPRESSURE: 2867000 65.27 -11.0931 -103.755 -101.081 64.5322 16.1853 -138.648 45.5137 -147.74 PRESSAVG: 2867000 -45.8279 -1.99187 10.0671 -1.99182 40.0718 68.8583 10.0671 68.8583 0.544119 GPRESSAVG: 2867000 -44.7317 -1.04926 9.30432 -3.09195 40.4381 67.69 10.7316 69.0859 -0.75915 TIMING: 2867000 CPU: 9125.9, 0.00313924/step Wall: 9125.9, 0.00313924/step, 1.86 hours remaining, 240.812500 MB of memory in use. ENERGY: 2867000 3995.8680 20634.9965 14572.2690 241.8894 -203404.4179 2717.4960 0.0000 0.0000 52237.8010 -109004.0980 300.2114 -161241.8990 -108635.4607 299.5070 -34.7356 -5.9794 761130.5657 -1.7373 -1.6843 PRESSURE: 2867200 -171.585 -72.1423 -159.063 -72.1427 -66.7361 129.265 -159.064 129.267 -19.0997 GPRESSURE: 2867200 -157.471 17.4331 -226.125 -155.601 -74.4319 125.415 -134.287 140.358 64.0763 PRESSAVG: 2867200 -33.4292 -4.71878 -15.1835 -4.71876 13.026 58.0201 -15.1836 58.0201 5.10886 GPRESSAVG: 2867200 -34.6444 -5.04458 -12.6213 -4.5319 13.9431 57.1752 -15.9907 61.0198 5.57163 TIMING: 2867200 CPU: 9126.53, 0.00314635/step Wall: 9126.53, 0.00314635/step, 1.86404 hours remaining, 240.812500 MB of memory in use. ENERGY: 2867200 4056.5828 20560.5783 14516.9009 242.9167 -203217.1333 2497.0232 0.0000 0.0000 52265.3396 -109077.7918 300.3696 -161343.1314 -108715.9026 299.9809 -85.8070 -55.9420 760340.8364 -5.0981 -5.0432 PRESSURE: 2867400 -213.239 -57.9883 226.74 -57.9888 -161.014 -234.282 226.74 -234.281 -393.127 GPRESSURE: 2867400 -128.492 -86.7812 130.002 23.2503 -238.905 -332.007 82.8869 -54.4904 -321.361 PRESSAVG: 2867400 7.20488 -17.6268 -20.0209 -17.6267 3.60558 5.2747 -20.0209 5.27466 -19.3196 GPRESSAVG: 2867400 6.83064 -16.6083 -20.7665 -15.3449 2.48542 5.53499 -21.7818 3.13154 -17.6537 TIMING: 2867400 CPU: 9127.15, 0.00312361/step Wall: 9127.15, 0.00312361/step, 1.85039 hours remaining, 240.812500 MB of memory in use. ENERGY: 2867400 3951.9053 20475.0861 14547.2448 247.9511 -202940.9947 2319.0839 0.0000 0.0000 52447.9183 -108951.8052 301.4189 -161399.7235 -108582.5119 299.9370 -255.7936 -229.5860 762812.9310 -2.8364 -2.7792 PRESSURE: 2867600 76.4286 119.233 -377.984 119.233 -43.6572 144.401 -377.983 144.401 -74.1453 GPRESSURE: 2867600 64.1391 90.7393 -400.492 31.3485 69.9488 114.621 -415.61 214.896 -103.863 PRESSAVG: 2867600 10.9113 -3.40915 4.68743 -3.40915 -16.8959 -18.2618 4.68736 -18.2618 7.80369 GPRESSAVG: 2867600 10.6324 -3.86417 3.64186 -2.38694 -15.8524 -17.9698 6.48853 -19.2807 7.11381 TIMING: 2867600 CPU: 9127.78, 0.0031458/step Wall: 9127.78, 0.0031458/step, 1.86336 hours remaining, 240.812500 MB of memory in use. ENERGY: 2867600 3986.8306 20577.5289 14579.2046 227.7497 -203249.4421 2676.1534 0.0000 0.0000 52192.0860 -109009.8890 299.9486 -161201.9749 -108644.7074 300.3702 -13.7913 10.0749 761112.2954 0.6064 0.6313 PRESSURE: 2867800 167.777 8.37807 -143.796 8.37761 -277.423 74.6216 -143.796 74.621 -339.85 GPRESSURE: 2867800 130.444 -28.4216 10.5495 107.037 -159.703 122.077 -144.468 7.71784 -313.101 PRESSAVG: 2867800 52.2169 35.0945 -66.3527 35.0945 -63.423 -28.2374 -66.3528 -28.2374 1.89798 GPRESSAVG: 2867800 51.5061 33.1383 -67.1898 34.0853 -62.0001 -29.9416 -65.3581 -25.8778 1.55669 TIMING: 2867800 CPU: 9128.4, 0.0031142/step Wall: 9128.4, 0.0031142/step, 1.84447 hours remaining, 240.812500 MB of memory in use. ENERGY: 2867800 3968.2427 20328.9872 14594.8922 247.5219 -203341.4325 2505.5795 0.0000 0.0000 52506.3503 -109189.8588 301.7547 -161696.2091 -108818.4665 300.6019 -149.8320 -114.1203 761472.5270 -3.1027 -2.9791 PRESSURE: 2868000 -85.1423 7.90832 103.423 7.90849 41.7944 69.8 103.423 69.8 -107.527 GPRESSURE: 2868000 28.0125 -47.253 116.186 -104.597 7.93575 39.1368 151.796 -34.0782 -72.285 PRESSAVG: 2868000 53.2928 41.5606 4.91618 41.5606 -60.2984 15.6654 4.91616 15.6654 -21.2579 GPRESSAVG: 2868000 54.6188 43.1201 6.01612 39.4237 -62.4333 16.9269 4.07693 11.973 -20.44 TIMING: 2868000 CPU: 9129.03, 0.00312536/step Wall: 9129.03, 0.00312536/step, 1.85091 hours remaining, 240.812500 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: 2868000 3967.7928 20442.0105 14568.0404 242.2189 -202980.3715 2448.4871 0.0000 0.0000 51994.0581 -109317.7637 298.8106 -161311.8217 -108947.9589 299.9896 -50.2917 -12.1123 761394.5664 -9.4212 -9.4182 PRESSURE: 2868200 217.892 -42.6926 -30.5707 -42.6928 -32.6443 -363.111 -30.5714 -363.111 -151.977 GPRESSURE: 2868200 240.251 -63.5517 -87.2075 -150.135 36.7997 -288.095 -18.8039 -272.528 -169.623 PRESSAVG: 2868200 4.96399 -8.17112 -66.1074 -8.1712 -9.85566 -6.25567 -66.1073 -6.25568 24.1295 GPRESSAVG: 2868200 5.39414 -8.41413 -67.858 -5.94662 -9.51093 -5.10274 -64.1242 -5.94429 22.9365 TIMING: 2868200 CPU: 9129.65, 0.00313792/step Wall: 9129.65, 0.00313792/step, 1.85817 hours remaining, 240.812500 MB of memory in use. ENERGY: 2868200 4021.6655 20528.6946 14515.9831 225.9487 -203173.4304 2211.9613 0.0000 0.0000 52373.1325 -109296.0446 300.9891 -161669.1772 -108930.6579 300.2182 11.0903 35.8093 760213.5221 6.4126 6.2732 LDB: ============= START OF LOAD BALANCING ============== 9142.11 LDB: ============== END OF LOAD BALANCING =============== 9142.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9142.11 LDB: ============= START OF LOAD BALANCING ============== 9142.42 LDB: Largest compute 7060 load 0.036031 is 18.4% of average load 0.195416 LDB: Average compute 0.004386 is 2.2% of average load 0.195416 LDB: TIME 9142.43 LOAD: AVG 0.195416 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 9142.43 LOAD: AVG 0.195416 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 9142.43 LOAD: AVG 0.195416 MAX 0.215283 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 9142.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9142.44 PRESSURE: 2868400 -124.342 179.643 143.353 179.643 -428.032 -385.842 143.353 -385.842 -212.014 GPRESSURE: 2868400 -100.793 42.0226 137.62 156.319 -372.365 -413.717 8.54647 -335.86 -194.315 PRESSAVG: 2868400 53.5938 18.6609 -15.3785 18.6609 -49.5426 -26.5773 -15.3785 -26.5774 -0.572368 GPRESSAVG: 2868400 53.0774 18.4371 -15.8307 17.7726 -49.228 -26.5247 -16.3262 -23.9704 -0.741968 TIMING: 2868400 CPU: 9130.3, 0.00322807/step Wall: 9130.3, 0.00322807/step, 1.91138 hours remaining, 239.527344 MB of memory in use. ENERGY: 2868400 4021.9322 20333.7016 14593.0816 259.3526 -203035.9680 2261.3569 0.0000 0.0000 52177.2864 -109389.2568 299.8636 -161566.5432 -109016.1644 299.6941 -254.7958 -222.4907 761923.3304 1.1596 1.0358 PRESSURE: 2868600 -98.6034 -67.2711 5.39053 -67.2704 128.978 204.061 5.39081 204.06 46.2488 GPRESSURE: 2868600 -71.0266 -97.2879 9.96243 -47.7735 165.751 95.5213 -73.2912 249.299 73.9729 PRESSAVG: 2868600 60.0931 -19.9626 -4.32525 -19.9627 -62.2512 -68.6741 -4.32524 -68.6741 -1.37936 GPRESSAVG: 2868600 60.2352 -20.6222 -2.21307 -20.9308 -62.3185 -70.3854 -3.41104 -69.2166 -1.49612 TIMING: 2868600 CPU: 9130.94, 0.00317769/step Wall: 9130.94, 0.00317769/step, 1.88137 hours remaining, 239.527344 MB of memory in use. ENERGY: 2868600 4015.1746 20538.2062 14495.9908 239.4426 -203592.2778 2781.3966 0.0000 0.0000 52055.4464 -109466.6206 299.1634 -161522.0670 -109101.8895 299.0487 25.5412 56.2325 761781.3872 -1.1791 -1.1931 PRESSURE: 2868800 236.589 -250.721 -90.7225 -250.721 -30.214 -124.872 -90.723 -124.871 -264.721 GPRESSURE: 2868800 295.421 -241.903 -146.09 -146.112 -43.4984 -152.854 -66.8742 -14.0921 -225.754 PRESSAVG: 2868800 55.9166 -13.6729 -54.9709 -13.673 -22.5346 -35.76 -54.9709 -35.76 -25.5927 GPRESSAVG: 2868800 55.7424 -13.3564 -54.455 -12.5314 -22.4917 -35.2765 -56.6679 -34.6118 -25.4758 TIMING: 2868800 CPU: 9131.57, 0.00317055/step Wall: 9131.57, 0.00317055/step, 1.87697 hours remaining, 239.527344 MB of memory in use. ENERGY: 2868800 4002.8979 20597.2583 14481.3165 244.3504 -203640.8657 2805.8209 0.0000 0.0000 52010.7180 -109498.5036 298.9063 -161509.2217 -109139.5444 298.8621 -19.4486 8.7228 762010.0963 2.5964 2.5916 PRESSURE: 2869000 70.8056 20.2027 191.616 20.2025 -176.576 -37.7282 191.617 -37.728 8.95291 GPRESSURE: 2869000 186.849 76.1684 201.483 -62.2877 -272.495 -15.1328 180.131 -189.789 76.6507 PRESSAVG: 2869000 23.6147 -19.4441 -10.3356 -19.4441 -4.44505 -61.2056 -10.3356 -61.2056 -10.7185 GPRESSAVG: 2869000 23.3704 -19.1934 -10.5081 -19.002 -4.23743 -60.4904 -11.4288 -63.2771 -10.5009 TIMING: 2869000 CPU: 9132.2, 0.00314313/step Wall: 9132.2, 0.00314313/step, 1.86056 hours remaining, 239.527344 MB of memory in use. ENERGY: 2869000 4003.6591 20542.0568 14550.7382 250.6088 -203344.8279 2581.0952 0.0000 0.0000 51886.4179 -109530.2520 298.1920 -161416.6699 -109173.8611 298.7476 -32.2726 -2.9984 761823.6030 2.8170 2.8773 PRESSURE: 2869200 205.885 -9.67963 -360.108 -9.67993 -142.361 -230.306 -360.108 -230.306 571.998 GPRESSURE: 2869200 171.488 -55.6374 -268.604 6.4469 41.4087 -276.75 -311.77 -28.2712 496.675 PRESSAVG: 2869200 2.34097 -8.69479 -14.2668 -8.69476 -29.7554 -9.07006 -14.2668 -9.07012 -10.7709 GPRESSAVG: 2869200 1.83293 -8.42028 -13.6316 -9.10278 -29.6547 -8.58193 -13.6037 -8.44657 -10.3817 TIMING: 2869200 CPU: 9132.82, 0.00312195/step Wall: 9132.82, 0.00312195/step, 1.84785 hours remaining, 239.527344 MB of memory in use. ENERGY: 2869200 4054.0247 20518.8153 14444.2297 255.3861 -203374.3779 2618.3283 0.0000 0.0000 52163.6367 -109319.9571 299.7851 -161483.5938 -108957.5852 299.2225 211.8409 236.5241 761477.9128 -12.7285 -12.7345 PRESSURE: 2869400 -135.396 -4.65009 32.2444 -4.65019 13.8444 -45.038 32.2444 -45.0378 -137.486 GPRESSURE: 2869400 -2.66787 -33.2808 34.4321 41.8241 -84.0823 -75.8371 -8.71983 -82.6426 -85.7259 PRESSAVG: 2869400 -49.1734 -15.3856 5.63562 -15.3855 30.7846 -40.8731 5.63563 -40.8731 12.1032 GPRESSAVG: 2869400 -48.8 -15.1501 4.8789 -14.6055 31.1691 -43.1874 5.84853 -38.7034 10.7746 TIMING: 2869400 CPU: 9133.45, 0.00314519/step Wall: 9133.45, 0.00314519/step, 1.86143 hours remaining, 239.527344 MB of memory in use. ENERGY: 2869400 3989.9312 20307.8030 14449.5186 242.4151 -202804.4014 2229.5420 0.0000 0.0000 52222.8504 -109362.3412 300.1254 -161585.1916 -108980.8700 299.1522 -86.3457 -57.4920 760612.2595 -2.0952 -2.2854 PRESSURE: 2869600 210.742 -86.3496 138.174 -86.3488 262.158 -52.7141 138.174 -52.7149 23.4321 GPRESSURE: 2869600 321.972 -54.9639 124.817 -67.9359 186.555 28.4017 205.914 20.6803 63.623 PRESSAVG: 2869600 -10.9897 23.8546 -44.939 23.8545 62.9714 -19.3663 -44.939 -19.3663 -14.4908 GPRESSAVG: 2869600 -10.3188 22.8742 -45.1154 24.6714 61.8083 -17.4288 -45.5956 -21.5213 -14.0464 TIMING: 2869600 CPU: 9134.08, 0.00313619/step Wall: 9134.08, 0.00313619/step, 1.85593 hours remaining, 239.527344 MB of memory in use. ENERGY: 2869600 3949.3812 20534.8060 14534.8430 238.0142 -203402.4157 2670.0362 0.0000 0.0000 52260.1524 -109215.1826 300.3398 -161475.3350 -108853.8316 299.5713 165.4441 190.7168 758626.8246 12.4970 12.4811 PRESSURE: 2869800 184.387 -215.253 -52.3014 -215.252 110.552 107.078 -52.3015 107.078 4.50567 GPRESSURE: 2869800 141.842 -164.587 -35.7831 -147.974 214.088 140.397 135.579 231.462 12.2148 PRESSAVG: 2869800 66.9774 -79.2748 31.4413 -79.2748 -44.176 9.67121 31.4413 9.67123 6.28297 GPRESSAVG: 2869800 66.2859 -80.5578 32.6595 -77.8069 -44.2526 8.66664 32.4611 9.62439 7.22275 TIMING: 2869800 CPU: 9134.71, 0.00313594/step Wall: 9134.71, 0.00313594/step, 1.8556 hours remaining, 239.527344 MB of memory in use. ENERGY: 2869800 4001.1153 20349.9572 14504.3687 239.4140 -202998.5775 2386.5469 0.0000 0.0000 52225.5812 -109291.5942 300.1411 -161517.1754 -108931.3189 299.9171 99.8149 122.7149 760173.0462 9.6948 9.7520 PRESSURE: 2870000 110.313 -62.3863 -227.204 -62.3865 101.276 57.3354 -227.204 57.3362 -176.175 GPRESSURE: 2870000 104.272 -119.573 -370.821 -134.981 137.306 64.295 -226.487 10.9472 -119.471 PRESSAVG: 2870000 44.3885 -64.4313 13.6861 -64.4314 -31.7911 19.7856 13.6862 19.7856 22.1744 GPRESSAVG: 2870000 44.0347 -64.1017 11.4519 -67.1501 -30.5515 20.8138 15.2508 17.9291 21.3051 TIMING: 2870000 CPU: 9135.33, 0.00312635/step Wall: 9135.33, 0.00312635/step, 1.84976 hours remaining, 239.527344 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: 2870000 4009.2752 20429.8422 14521.9388 225.8247 -203576.1021 2907.5975 0.0000 0.0000 52319.8516 -109161.7721 300.6829 -161481.6237 -108803.1527 299.7586 11.8046 40.7025 759345.9521 11.5906 11.5961 PRESSURE: 2870200 437.841 72.7921 -62.287 72.7914 263.178 39.8354 -62.2877 39.8357 185.733 GPRESSURE: 2870200 551.526 162.027 -84.6538 -105.234 220.62 22.56 -98.307 -4.04843 190.443 PRESSAVG: 2870200 2.12736 -45.6365 -6.62768 -45.6366 33.1385 0.269123 -6.6277 0.269161 -21.1986 GPRESSAVG: 2870200 4.57396 -43.1942 -5.81745 -47.1839 31.6499 -1.21801 -8.94054 0.185623 -22.0123 TIMING: 2870200 CPU: 9135.96, 0.00315265/step Wall: 9135.96, 0.00315265/step, 1.86514 hours remaining, 239.527344 MB of memory in use. ENERGY: 2870200 4007.4131 20570.6594 14480.4103 253.7457 -203234.8362 2514.1899 0.0000 0.0000 52327.0844 -109081.3335 300.7245 -161408.4178 -108707.8951 300.0848 295.5842 320.8629 760213.0691 4.6891 4.7372 PRESSURE: 2870400 298.424 132.157 47.0535 132.157 -23.4178 -144.8 47.0529 -144.799 130.788 GPRESSURE: 2870400 332.007 182.45 -3.05687 170.72 68.545 -148.572 241.734 -132.25 106.008 PRESSAVG: 2870400 54.1971 -16.7973 22.6153 -16.7974 -67.7324 9.86287 22.6153 9.86289 -21.3257 GPRESSAVG: 2870400 52.2016 -19.362 22.5246 -16.0089 -66.121 10.9664 23.0566 11.6031 -20.3548 TIMING: 2870400 CPU: 9136.6, 0.00317054/step Wall: 9136.6, 0.00317054/step, 1.87555 hours remaining, 239.527344 MB of memory in use. ENERGY: 2870400 3964.3485 20601.3766 14512.0246 242.0309 -203371.2135 2721.9526 0.0000 0.0000 52194.9323 -109134.5481 299.9650 -161329.4804 -108776.2166 300.0208 135.2647 168.8534 760647.8697 -11.6203 -11.4247 PRESSURE: 2870600 42.7379 -55.3067 81.6684 -55.3071 181.898 51.5846 81.6687 51.5849 151.908 GPRESSURE: 2870600 86.3008 -20.303 146.249 -43.531 261.04 134.379 41.2382 -57.9283 133.73 PRESSAVG: 2870600 -2.9332 -9.18891 47.2125 -9.18895 -4.96015 -3.33121 47.2125 -3.33121 13.6691 GPRESSAVG: 2870600 -1.01463 -8.62306 48.4245 -8.98599 -5.79359 -2.07917 46.3969 -5.97273 12.8634 TIMING: 2870600 CPU: 9137.23, 0.00316354/step Wall: 9137.23, 0.00316354/step, 1.87124 hours remaining, 239.527344 MB of memory in use. ENERGY: 2870600 3936.7271 20559.2057 14460.2027 248.5321 -203838.7994 2872.2553 0.0000 0.0000 52405.5816 -109356.2949 301.1756 -161761.8765 -108994.1931 300.0711 125.5146 160.3568 761191.8728 1.9252 2.0184 PRESSURE: 2870800 -86.308 -26.7236 -206.224 -26.7233 -44.6735 -234.475 -206.225 -234.474 80.1523 GPRESSURE: 2870800 0.0722406 -69.3816 -331.884 -28.3534 -8.30782 -248.929 -147.769 -259.711 53.0393 PRESSAVG: 2870800 29.3693 -2.95077 72.6364 -2.95078 23.3753 -22.2218 72.6364 -22.2218 -8.91701 GPRESSAVG: 2870800 28.1373 -4.47031 71.241 -2.9393 24.3956 -22.0671 73.1995 -20.7601 -8.71153 TIMING: 2870800 CPU: 9137.86, 0.00313573/step Wall: 9137.86, 0.00313573/step, 1.85461 hours remaining, 239.527344 MB of memory in use. ENERGY: 2870800 3870.5542 20617.4276 14491.4072 255.8612 -203886.1018 2982.4300 0.0000 0.0000 52063.1659 -109605.2556 299.2077 -161668.4215 -109234.3861 299.4363 -16.9431 14.9346 760724.1232 14.6092 14.6071 PRESSURE: 2871000 -30.4983 -18.2726 143.794 -18.273 -226.769 29.2218 143.795 29.2203 16.4259 GPRESSURE: 2871000 -55.5786 70.8116 84.3847 27.2127 -118.6 -137.109 82.9387 150.432 -14.0782 PRESSAVG: 2871000 38.4656 26.592 38.8131 26.592 -55.2543 -23.8197 38.8131 -23.8198 14.3252 GPRESSAVG: 2871000 37.1619 27.1378 38.449 27.2879 -54.4612 -25.0126 39.8332 -23.0567 14.6356 TIMING: 2871000 CPU: 9138.48, 0.00313271/step Wall: 9138.48, 0.00313271/step, 1.85265 hours remaining, 239.527344 MB of memory in use. ENERGY: 2871000 4030.8402 20283.7054 14448.6327 259.9924 -203800.6678 2837.4449 0.0000 0.0000 52270.4921 -109669.5601 300.3992 -161940.0522 -109312.3448 298.7387 -80.2806 -62.7523 760953.9638 -0.8212 -0.8879 PRESSURE: 2871200 -34.8393 121.252 -116.499 121.253 101.7 123.833 -116.499 123.834 -3.82441 GPRESSURE: 2871200 -8.53866 9.72417 -39.1144 122.843 96.7247 144.841 -147.482 53.2116 63.0894 PRESSAVG: 2871200 -24.9043 -9.62197 2.86527 -9.62189 12.3306 -30.5706 2.86528 -30.5706 8.92656 GPRESSAVG: 2871200 -24.0485 -7.19667 3.46722 -9.8429 10.6756 -31.4024 1.23758 -31.3313 9.40685 TIMING: 2871200 CPU: 9139.11, 0.00312387/step Wall: 9139.11, 0.00312387/step, 1.84725 hours remaining, 239.527344 MB of memory in use. ENERGY: 2871200 4012.5624 20552.0683 14491.5561 240.7468 -203529.7000 2529.1685 0.0000 0.0000 51881.4685 -109822.1294 298.1635 -161703.5979 -109457.8135 298.4648 21.0121 50.4251 759547.8423 -1.2157 -1.3220 PRESSURE: 2871400 441.13 -32.674 -118.606 -32.6736 609.322 29.2687 -118.605 29.2684 521.94 GPRESSURE: 2871400 561.657 -170.454 -98.6918 81.9039 458.046 -7.20472 43.3607 -64.7104 624.584 PRESSAVG: 2871400 -30.8772 -11.9932 -37.0494 -11.9932 36.5298 -3.42551 -37.0494 -3.42549 12.6728 GPRESSAVG: 2871400 -30.7643 -12.8588 -37.2926 -12.8574 36.3634 -1.99616 -35.3497 -4.65458 12.6708 TIMING: 2871400 CPU: 9139.74, 0.00314659/step Wall: 9139.74, 0.00314659/step, 1.86051 hours remaining, 239.527344 MB of memory in use. ENERGY: 2871400 3960.4362 20590.6149 14411.3840 229.3612 -204318.7993 3303.6439 0.0000 0.0000 52053.0293 -109770.3298 299.1495 -161823.3591 -109410.4709 298.6402 524.1307 548.0957 761368.2082 6.1084 6.0900 PRESSURE: 2871600 31.4929 -62.4659 9.90486 -62.4658 149.117 -84.8373 9.90422 -84.8368 -252.775 GPRESSURE: 2871600 41.0565 -74.8264 -56.2461 -170.688 176.917 -36.741 -24.6018 -46.1607 -202.839 PRESSAVG: 2871600 -18.3496 15.2307 8.79532 15.2307 -2.48365 -31.035 8.79532 -31.035 -5.90592 GPRESSAVG: 2871600 -19.0927 17.2594 9.32797 13.9598 -1.07976 -31.4774 8.35079 -28.1156 -6.2418 TIMING: 2871600 CPU: 9140.37, 0.00314909/step Wall: 9140.37, 0.00314909/step, 1.86181 hours remaining, 239.527344 MB of memory in use. ENERGY: 2871600 3901.0456 20502.0189 14504.1593 225.7771 -203657.8675 2701.2466 0.0000 0.0000 52074.6895 -109748.9305 299.2740 -161823.6201 -109377.0463 298.2735 -24.0550 5.0449 762370.2963 -8.9130 -8.8047 PRESSURE: 2871800 167.266 100.341 -70.5415 100.341 -7.34822 -195.714 -70.5406 -195.714 -247.451 GPRESSURE: 2871800 313.336 44.7944 -79.6019 35.5409 -53.5195 -180.828 -33.9178 -243.005 -247.187 PRESSAVG: 2871800 -31.2082 -32.1695 24.5035 -32.1695 68.6004 -61.1725 24.5035 -61.1725 -0.925652 GPRESSAVG: 2871800 -31.0436 -37.3326 24.0111 -29.8747 67.8106 -61.0253 24.0471 -61.7607 -0.428414 TIMING: 2871800 CPU: 9140.99, 0.00313008/step Wall: 9140.99, 0.00313008/step, 1.8504 hours remaining, 239.527344 MB of memory in use. ENERGY: 2871800 4053.8110 20449.8605 14543.8667 238.6427 -203956.9140 2790.0685 0.0000 0.0000 52269.9917 -109610.6729 300.3964 -161880.6646 -109249.9906 298.6997 -29.1778 4.2097 761313.8209 12.1555 12.1128 PRESSURE: 2872000 261.023 -50.9176 23.0303 -50.9175 -155.352 -70.3864 23.0298 -70.3868 39.8367 GPRESSURE: 2872000 247.429 13.3249 2.48161 -69.303 -139.963 -128.911 -8.729 31.9166 126.636 PRESSAVG: 2872000 76.8824 3.37076 31.9119 3.3708 -48.0079 -77.8063 31.9119 -77.8063 -8.89566 GPRESSAVG: 2872000 76.6874 6.3117 31.5197 2.39975 -47.1998 -77.6066 32.2267 -77.655 -9.14254 TIMING: 2872000 CPU: 9141.62, 0.00314044/step Wall: 9141.62, 0.00314044/step, 1.85635 hours remaining, 239.527344 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: 2872000 3995.3160 20595.1132 14489.1919 239.4827 -203431.6063 2432.7929 0.0000 0.0000 51998.9400 -109680.7696 298.8386 -161679.7096 -109315.5987 299.2181 48.5024 78.0340 759994.5315 6.6596 6.7817 PRESSURE: 2872200 323.921 4.13025 71.2482 4.13016 -165.881 116.086 71.2485 116.087 323.059 GPRESSURE: 2872200 326.059 5.56775 -4.66926 -46.2181 -200.001 135.663 -12.2807 37.5521 426.534 PRESSAVG: 2872200 -19.3953 -31.8912 -51.0871 -31.8912 5.06104 -62.6085 -51.0872 -62.6085 -24.2735 GPRESSAVG: 2872200 -19.0559 -33.0659 -51.6688 -33.5546 4.66482 -62.3857 -52.5734 -63.6098 -24.3458 TIMING: 2872200 CPU: 9142.25, 0.00313478/step Wall: 9142.25, 0.00313478/step, 1.85283 hours remaining, 239.527344 MB of memory in use. ENERGY: 2872200 3927.7652 20465.6184 14467.0469 260.0205 -203692.2871 2837.5083 0.0000 0.0000 52086.4354 -109647.8925 299.3415 -161734.3278 -109276.6467 298.9831 160.3667 184.1974 760427.0498 -12.8692 -12.9123 LDB: ============= START OF LOAD BALANCING ============== 9154.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9154.7 LDB: =============== DONE WITH MIGRATION ================ 9154.7 LDB: ============= START OF LOAD BALANCING ============== 9155.02 LDB: Largest compute 7060 load 0.035552 is 18.2% of average load 0.195359 LDB: Average compute 0.004396 is 2.3% of average load 0.195359 LDB: TIME 9155.02 LOAD: AVG 0.195359 MAX 0.215809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 9155.02 LOAD: AVG 0.195359 MAX 0.215809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 9155.02 LOAD: AVG 0.195359 MAX 0.215809 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 9155.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9155.03 PRESSURE: 2872400 -97.0609 94.2109 80.9414 94.2109 -181.79 16.9694 80.9418 16.9701 -30.6497 GPRESSURE: 2872400 -73.9972 144.303 99.7258 93.7383 -128.466 29.1289 172.121 70.1316 -19.6435 PRESSAVG: 2872400 -13.2651 6.05099 -23.3849 6.05102 48.1745 5.71537 -23.3849 5.71536 37.2289 GPRESSAVG: 2872400 -12.402 7.81681 -22.4552 6.55626 48.6762 6.21247 -23.4026 6.74418 36.5704 TIMING: 2872400 CPU: 9142.89, 0.003218/step Wall: 9142.89, 0.003218/step, 1.90184 hours remaining, 240.867188 MB of memory in use. ENERGY: 2872400 4065.0980 20596.1531 14485.7438 243.3777 -203643.5140 2751.9484 0.0000 0.0000 51869.3165 -109631.8765 298.0937 -161501.1930 -109269.8162 299.0332 -103.1669 -74.0355 760018.9132 24.0461 24.2815 PRESSURE: 2872600 -333.764 -6.51028 61.2681 -6.50929 -268.319 -87.5764 61.2688 -87.5756 -315.304 GPRESSURE: 2872600 -292.87 -111.728 143.599 35.3485 -186.492 -74.6519 -2.33865 32.4812 -345.471 PRESSAVG: 2872600 11.9139 -45.3723 -28.0688 -45.3723 4.35651 -13.3783 -28.0688 -13.3782 -11.6186 GPRESSAVG: 2872600 12.1191 -44.9859 -29.1145 -43.1986 4.38051 -13.191 -25.7423 -13.752 -11.2996 TIMING: 2872600 CPU: 9143.52, 0.00315709/step Wall: 9143.52, 0.00315709/step, 1.86567 hours remaining, 240.867188 MB of memory in use. ENERGY: 2872600 4043.0120 20602.7674 14465.2626 237.1011 -203425.8910 2217.8175 0.0000 0.0000 52108.6200 -109751.3105 299.4690 -161859.9305 -109384.8422 299.2529 -305.7956 -274.9446 760754.1495 1.5506 1.7333 PRESSURE: 2872800 65.1496 22.6 33.2999 22.5997 91.5442 -325.397 33.2995 -325.397 -9.95279 GPRESSURE: 2872800 100.024 60.0249 -39.0668 -21.9184 85.6393 -317.736 122.529 -184.991 39.9384 PRESSAVG: 2872800 11.4182 4.21279 -30.4533 4.21282 -33.8791 -53.9935 -30.4533 -53.9936 10.7021 GPRESSAVG: 2872800 11.4114 1.62877 -29.5498 3.3375 -34.2083 -56.197 -32.7419 -53.6051 11.0699 TIMING: 2872800 CPU: 9144.15, 0.00312049/step Wall: 9144.15, 0.00312049/step, 1.84386 hours remaining, 240.867188 MB of memory in use. ENERGY: 2872800 4014.9859 20611.4660 14434.0897 235.6974 -203959.1202 2890.3659 0.0000 0.0000 52131.2573 -109641.2580 299.5991 -161772.5153 -109272.1247 299.0373 48.9137 75.2007 760578.8757 -3.9196 -3.9090 PRESSURE: 2873000 -198.705 -36.7767 -25.9873 -36.7764 -243.438 83.9022 -25.9868 83.9019 -244.32 GPRESSURE: 2873000 -251.399 -132.169 -64.5512 -36.7295 -118.319 50.735 105.28 164.989 -249.172 PRESSAVG: 2873000 32.0917 18.899 14.662 18.8989 -29.3973 27.6597 14.6621 27.6598 -0.0116393 GPRESSAVG: 2873000 31.0297 21.6902 14.0936 17.9765 -27.6211 29.4083 15.8495 27.9957 -0.282698 TIMING: 2873000 CPU: 9144.77, 0.00314043/step Wall: 9144.77, 0.00314043/step, 1.85547 hours remaining, 240.867188 MB of memory in use. ENERGY: 2873000 4045.3089 20496.7904 14441.2945 261.5429 -203757.5721 2763.7380 0.0000 0.0000 52140.0132 -109608.8842 299.6494 -161748.8974 -109239.2979 299.3267 -228.8213 -206.2969 764473.2925 0.8942 1.0420 PRESSURE: 2873200 -190.501 -29.4307 -69.3395 -29.4308 -83.7283 -137.139 -69.3398 -137.141 -271.326 GPRESSURE: 2873200 -105.254 -6.97231 -44.0411 115.068 -152.285 -155.702 27.65 -264.147 -218.512 PRESSAVG: 2873200 51.8194 -3.92775 -8.8739 -3.92782 -26.4685 -42.5954 -8.8739 -42.5954 -1.77088 GPRESSAVG: 2873200 53.2025 -3.648 -8.78547 -4.75059 -28.4379 -42.4641 -8.26998 -44.5197 -1.5785 TIMING: 2873200 CPU: 9145.4, 0.00313689/step Wall: 9145.4, 0.00313689/step, 1.8532 hours remaining, 240.867188 MB of memory in use. ENERGY: 2873200 4048.0551 20626.2357 14426.9429 247.0656 -203231.4759 2522.0085 0.0000 0.0000 51790.4150 -109570.7531 297.6402 -161361.1681 -109206.9110 298.8735 -181.8518 -158.6837 762531.6097 7.8600 7.7287 PRESSURE: 2873400 -260.756 -158.144 159.949 -158.143 115.54 179.496 159.949 179.495 -66.8352 GPRESSURE: 2873400 -229.841 -246.509 172.477 -40.2666 153.929 163.912 145.227 -67.6047 -42.943 PRESSAVG: 2873400 29.1715 -35.8502 18.8907 -35.8502 -26.0032 2.92743 18.8907 2.9274 16.0113 GPRESSAVG: 2873400 28.4993 -35.9446 19.3081 -34.4081 -25.4126 2.22725 17.2647 5.24255 16.0281 TIMING: 2873400 CPU: 9146.03, 0.00312226/step Wall: 9146.03, 0.00312226/step, 1.84439 hours remaining, 240.867188 MB of memory in use. ENERGY: 2873400 4032.4163 20489.3200 14475.8834 250.9483 -202985.5192 2615.0700 0.0000 0.0000 51838.0509 -109283.8302 297.9140 -161121.8811 -108923.5317 298.8762 -70.6838 -39.6183 764326.4628 6.3932 6.3716 PRESSURE: 2873600 485.504 99.8843 207.995 99.8834 -40.7518 -147.95 207.995 -147.951 5.65756 GPRESSURE: 2873600 466.038 5.45355 251.023 16.1785 52.4748 -85.8161 26.9613 -126.139 27.2997 PRESSAVG: 2873600 -38.0818 -38.5562 11.7033 -38.5563 -10.1311 -35.4894 11.7033 -35.4893 -8.38876 GPRESSAVG: 2873600 -37.7675 -40.1064 11.3395 -40.3877 -10.2468 -35.0357 11.3321 -36.9891 -8.4351 TIMING: 2873600 CPU: 9146.65, 0.00311517/step Wall: 9146.65, 0.00311517/step, 1.84002 hours remaining, 240.867188 MB of memory in use. ENERGY: 2873600 4088.8742 20479.7629 14510.6152 265.7853 -203102.6520 2564.7108 0.0000 0.0000 51848.6570 -109344.2466 297.9749 -161192.9036 -108987.6299 299.2555 150.1365 181.9374 762408.1920 -18.8672 -18.8165 PRESSURE: 2873800 -198.008 -60.8861 -117.923 -60.8862 -168.122 -142.456 -117.923 -142.455 77.011 GPRESSURE: 2873800 -211.207 82.8949 -86.0779 -48.4241 -114.538 -77.4231 -146.407 -91.5847 139.303 PRESSAVG: 2873800 27.1362 -19.8464 21.2118 -19.8464 -23.3899 4.52866 21.2119 4.52857 20.9147 GPRESSAVG: 2873800 26.6588 -19.5868 22.7303 -18.5189 -22.6941 4.91257 22.9702 5.09313 20.9546 TIMING: 2873800 CPU: 9147.27, 0.00312099/step Wall: 9147.27, 0.00312099/step, 1.84329 hours remaining, 240.867188 MB of memory in use. ENERGY: 2873800 4096.6626 20466.8025 14472.4736 246.8859 -203370.1460 2610.9652 0.0000 0.0000 52170.3452 -109306.0111 299.8237 -161476.3563 -108952.6877 299.8201 -96.3732 -62.1473 762056.8717 8.2204 8.3064 PRESSURE: 2874000 -169.868 -282.085 126.507 -282.085 -333.277 -131.833 126.507 -131.832 136.817 GPRESSURE: 2874000 -8.22901 -240.55 106.79 -41.6179 -398.86 -236.7 164.302 -11.9342 126.08 PRESSAVG: 2874000 45.7011 -33.5718 2.78121 -33.5718 -3.5632 -10.5847 2.78127 -10.5847 -6.36563 GPRESSAVG: 2874000 46.9608 -33.3465 2.91583 -32.2327 -4.88895 -11.9753 1.94502 -10.1701 -6.94231 TIMING: 2874000 CPU: 9147.9, 0.00312172/step Wall: 9147.9, 0.00312172/step, 1.84355 hours remaining, 240.867188 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: 2874000 3971.7052 20523.5101 14480.5488 269.8225 -203104.8663 2520.5478 0.0000 0.0000 52175.2740 -109163.4580 299.8520 -161338.7320 -108800.9927 299.7142 -122.1094 -93.6695 761405.3154 11.9241 11.7099 PRESSURE: 2874200 -350.49 -267.227 79.9665 -267.226 -156.833 120.127 79.9672 120.127 -103.345 GPRESSURE: 2874200 -318.28 -221.558 80.2953 -308.348 -107.756 101.821 139.604 69.9937 -110.287 PRESSAVG: 2874200 14.9964 -3.59619 -7.23965 -3.59617 -61.6738 8.15702 -7.2396 8.15706 15.2143 GPRESSAVG: 2874200 15.5485 -4.67658 -7.38838 -4.91418 -61.3602 8.44013 -6.59748 5.47227 14.6379 TIMING: 2874200 CPU: 9148.53, 0.00313715/step Wall: 9148.53, 0.00313715/step, 1.85249 hours remaining, 240.867188 MB of memory in use. ENERGY: 2874200 4028.9004 20609.2112 14415.9824 234.1933 -202827.9860 2208.7065 0.0000 0.0000 52150.0564 -109180.9359 299.7071 -161330.9923 -108815.0930 299.9480 -203.5561 -178.7743 762181.3021 -10.4877 -10.3913 PRESSURE: 2874400 -303.153 37.8775 -257.58 37.8759 -320.176 -111.551 -257.579 -111.551 -333.84 GPRESSURE: 2874400 -254.31 -14.6591 -254.353 85.6864 -243.676 -39.205 -160.26 133.039 -382.022 PRESSAVG: 2874400 34.6437 -2.47949 45.0259 -2.47946 26.0957 0.926838 45.0259 0.926758 33.9427 GPRESSAVG: 2874400 33.8334 -2.65155 44.4543 -0.508694 27.0791 2.38711 45.7659 5.01418 33.9961 TIMING: 2874400 CPU: 9149.15, 0.00313206/step Wall: 9149.15, 0.00313206/step, 1.84931 hours remaining, 240.867188 MB of memory in use. ENERGY: 2874400 3955.9279 20409.8195 14397.7099 243.1928 -203002.3209 2352.7563 0.0000 0.0000 52221.5440 -109421.3705 300.1179 -161642.9145 -109050.9644 299.6348 -319.0563 -293.3360 761913.8619 31.5607 31.6362 PRESSURE: 2874600 -6.72941 252.411 132.095 252.411 -3.46823 105.415 132.094 105.414 30.8352 GPRESSURE: 2874600 64.9049 305.248 91.5317 178.668 -25.6109 120.727 111.505 14.2018 63.852 PRESSAVG: 2874600 23.5713 41.6916 57.1257 41.6915 -0.127073 -18.8679 57.1257 -18.8677 -10.5401 GPRESSAVG: 2874600 23.6392 42.5533 57.7121 39.9715 -0.783622 -19.1002 57.2751 -20.8023 -9.95815 TIMING: 2874600 CPU: 9149.78, 0.00311958/step Wall: 9149.78, 0.00311958/step, 1.84177 hours remaining, 240.867188 MB of memory in use. ENERGY: 2874600 3923.4457 20420.9062 14500.8783 233.9999 -202936.9550 2289.3053 0.0000 0.0000 52040.1202 -109528.2994 299.0753 -161568.4196 -109161.5757 298.7928 6.8792 34.3820 762373.7020 4.3014 4.2992 PRESSURE: 2874800 16.0952 67.1102 175.56 67.1099 149.62 -13.9529 175.561 -13.9523 121.977 GPRESSURE: 2874800 44.9256 31.2664 162.434 61.4699 134.374 -112.203 206.571 -63.3871 212.139 PRESSAVG: 2874800 25.1583 34.2773 25.3514 34.2774 1.8764 33.5885 25.3514 33.5886 -30.2419 GPRESSAVG: 2874800 25.2798 33.5604 23.7989 34.3831 2.29081 32.2647 23.3705 33.7129 -30.931 TIMING: 2874800 CPU: 9150.4, 0.00312645/step Wall: 9150.4, 0.00312645/step, 1.84565 hours remaining, 240.867188 MB of memory in use. ENERGY: 2874800 3919.5180 20552.9245 14529.3336 250.7862 -203205.0445 2527.3384 0.0000 0.0000 51860.5326 -109564.6112 298.0432 -161425.1438 -109220.7156 299.1254 95.8973 130.4793 761208.1194 -1.0691 -1.1201 PRESSURE: 2875000 80.5549 -106.623 -23.0063 -106.623 -232.175 93.6311 -23.0064 93.6301 -155.083 GPRESSURE: 2875000 113.39 -120.13 17.9234 -21.5896 -78.6655 91.1513 -68.762 1.45096 -217.964 PRESSAVG: 2875000 -5.48986 1.48839 51.4064 1.48842 12.381 -13.8979 51.4065 -13.898 31.8056 GPRESSAVG: 2875000 -5.77106 2.4677 53.0334 2.02344 13.2912 -14.1914 52.1435 -13.4011 31.5749 TIMING: 2875000 CPU: 9151.03, 0.00313852/step Wall: 9151.03, 0.00313852/step, 1.8526 hours remaining, 240.867188 MB of memory in use. ENERGY: 2875000 4010.5145 20382.2595 14509.9498 245.8024 -203075.2552 2377.8550 0.0000 0.0000 51809.8902 -109738.9839 297.7522 -161548.8740 -109385.0144 298.8860 -102.2344 -61.0796 762022.0793 12.8989 13.0317 PRESSURE: 2875200 133.254 3.24753 223.519 3.24795 72.8912 35.8551 223.519 35.8561 338.501 GPRESSURE: 2875200 98.2947 -16.7085 261.19 78.7108 139.637 -29.5087 196.221 -89.8448 382.706 PRESSAVG: 2875200 -28.4395 -41.5728 96.6545 -41.5727 7.23792 9.45483 96.6545 9.45486 17.0339 GPRESSAVG: 2875200 -28.097 -40.6307 97.0881 -41.6135 5.33677 10.8192 97.1112 7.51412 18.498 TIMING: 2875200 CPU: 9151.65, 0.0031249/step Wall: 9151.65, 0.0031249/step, 1.84438 hours remaining, 240.867188 MB of memory in use. ENERGY: 2875200 3981.9752 20489.5211 14390.1862 262.1004 -203154.3942 2506.5542 0.0000 0.0000 52065.1057 -109458.9513 299.2189 -161524.0570 -109107.0995 299.0781 181.5487 206.8790 761825.9460 -1.3892 -1.4207 PRESSURE: 2875400 -417.498 -61.3851 164.4 -61.3848 37.8705 138.461 164.401 138.461 322.917 GPRESSURE: 2875400 -311.884 -52.2071 83.2599 -91.711 -0.362682 63.2673 134.938 90.2813 320.576 PRESSAVG: 2875400 41.6817 -14.4361 76.7381 -14.436 -32.7793 58.6812 76.7381 58.6811 14.6904 GPRESSAVG: 2875400 41.7446 -15.512 73.8104 -13.0092 -32.3993 58.3013 77.0339 59.0483 14.1292 TIMING: 2875400 CPU: 9152.28, 0.00313567/step Wall: 9152.28, 0.00313567/step, 1.85057 hours remaining, 240.867188 MB of memory in use. ENERGY: 2875400 4005.1791 20614.7298 14494.7595 254.7818 -203315.9529 2510.0681 0.0000 0.0000 52060.4422 -109375.9925 299.1921 -161436.4347 -109013.4467 299.5251 -18.9032 2.7765 762602.5933 7.8643 7.8248 PRESSURE: 2875600 -335.242 117.142 -40.7747 117.142 -176.052 -252.68 -40.7744 -252.68 -573.974 GPRESSURE: 2875600 -328.733 192.711 6.94004 44.1464 -189.623 -352.935 -74.8862 -200.312 -491.585 PRESSAVG: 2875600 18.2349 -30.7695 -0.275179 -30.7695 15.7792 47.5861 -0.275169 47.5862 3.33445 GPRESSAVG: 2875600 18.1874 -29.7856 2.89369 -31.7766 15.7036 46.2767 0.456993 47.9028 2.9032 TIMING: 2875600 CPU: 9152.91, 0.00312955/step Wall: 9152.91, 0.00312955/step, 1.84678 hours remaining, 240.867188 MB of memory in use. ENERGY: 2875600 4049.6868 20677.0514 14444.1691 236.5193 -203468.0061 2510.3802 0.0000 0.0000 52174.8276 -109375.3716 299.8495 -161550.1992 -109013.4617 299.5971 -361.7558 -336.6474 761851.7786 12.4495 12.2647 PRESSURE: 2875800 -428.311 -246.463 103.327 -246.464 -218.681 37.3982 103.327 37.3997 -296.32 GPRESSURE: 2875800 -425.464 -158.579 93.7099 -197.275 -121.195 129.344 93.8492 69.4014 -318.476 PRESSAVG: 2875800 -15.2995 -75.502 -31.9559 -75.5021 35.6658 19.0836 -31.956 19.0836 -22.7255 GPRESSAVG: 2875800 -16.0275 -76.4353 -33.5398 -76.7344 37.2364 19.8185 -31.613 18.986 -23.5027 TIMING: 2875800 CPU: 9153.53, 0.00313404/step Wall: 9153.53, 0.00313404/step, 1.84925 hours remaining, 240.867188 MB of memory in use. ENERGY: 2875800 3987.3101 20557.0222 14534.5910 235.7117 -203264.6347 2323.3567 0.0000 0.0000 52303.7585 -109322.8845 300.5904 -161626.6430 -108952.6588 300.1757 -314.4374 -288.3782 761440.0377 -0.7864 -0.7646 PRESSURE: 2876000 130.395 12.9371 -161.584 12.9359 149.469 344.286 -161.585 344.286 -103.703 GPRESSURE: 2876000 181.868 21.8695 -182.293 85.7862 144.138 338.762 -171.889 230.628 -59.1429 PRESSAVG: 2876000 12.3884 -10.9428 -21.0857 -10.9428 11.1035 11.8792 -21.0856 11.8792 -2.79396 GPRESSAVG: 2876000 13.8594 -12.0294 -19.1214 -10.4033 8.27265 12.8966 -22.1722 10.4892 -1.75022 TIMING: 2876000 CPU: 9154.16, 0.00312702/step Wall: 9154.16, 0.00312702/step, 1.84494 hours remaining, 240.867188 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: 2876000 4022.4239 20663.2601 14474.1186 247.1073 -204141.6372 2993.9970 0.0000 0.0000 52257.0871 -109483.6431 300.3222 -161740.7303 -109123.0898 299.3980 58.7202 88.9544 759519.5678 6.8993 6.7939 PRESSURE: 2876200 -63.1244 130.856 -25.7997 130.856 -165.59 -132.691 -25.8 -132.691 321.177 GPRESSURE: 2876200 -79.392 121.727 -46.9934 178.54 -48.5613 -80.0321 105.569 -89.105 326.728 PRESSAVG: 2876200 29.2899 11.1305 -44.9606 11.1305 -9.60638 35.4691 -44.9605 35.4692 21.4421 GPRESSAVG: 2876200 28.01 12.3914 -47.413 11.9068 -8.00439 35.011 -43.4336 37.0228 20.8624 TIMING: 2876200 CPU: 9154.79, 0.00313011/step Wall: 9154.79, 0.00313011/step, 1.84659 hours remaining, 240.867188 MB of memory in use. ENERGY: 2876200 3988.5555 20381.2245 14562.9076 243.6301 -203295.9560 2364.7267 0.0000 0.0000 52136.7239 -109618.1875 299.6305 -161754.9114 -109250.7966 299.5046 30.8209 66.2581 761287.0322 13.7085 13.6227 LDB: ============= START OF LOAD BALANCING ============== 9167.23 LDB: ============== END OF LOAD BALANCING =============== 9167.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9167.24 LDB: ============= START OF LOAD BALANCING ============== 9167.55 LDB: Largest compute 7060 load 0.033789 is 17.3% of average load 0.195487 LDB: Average compute 0.004349 is 2.2% of average load 0.195487 LDB: TIME 9167.55 LOAD: AVG 0.195487 MAX 0.216942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 9167.55 LOAD: AVG 0.195487 MAX 0.216942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: TIME 9167.55 LOAD: AVG 0.195487 MAX 0.216942 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: ============== END OF LOAD BALANCING =============== 9167.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9167.56 PRESSURE: 2876400 -305.936 -119.213 168.305 -119.212 -349.78 74.5045 168.305 74.5044 0.107259 GPRESSURE: 2876400 -121.506 -75.5559 42.6048 -74.7747 -404.354 121.855 137.308 -8.5088 -38.2737 PRESSAVG: 2876400 57.5757 -23.8978 -73.9469 -23.8978 -68.5005 -32.2713 -73.9469 -32.2713 -15.5259 GPRESSAVG: 2876400 58.4477 -21.6111 -73.1727 -25.6177 -69.4427 -31.3754 -74.9677 -35.1302 -15.6098 TIMING: 2876400 CPU: 9155.42, 0.00319922/step Wall: 9155.42, 0.00319922/step, 1.88719 hours remaining, 239.757812 MB of memory in use. ENERGY: 2876400 4073.4482 20538.3730 14470.8238 255.2277 -203211.2814 2454.3389 0.0000 0.0000 51897.1452 -109521.9246 298.2536 -161419.0698 -109156.3723 298.7173 -218.5363 -188.0445 762047.6658 -8.8169 -8.8683 PRESSURE: 2876600 -29.7048 75.5044 -143.73 75.5041 -128.836 -45.2628 -143.73 -45.263 312.562 GPRESSURE: 2876600 22.1039 -4.03519 -152.991 54.2863 -66.542 10.188 -123.071 -139.163 270.044 PRESSAVG: 2876600 45.8598 56.9851 -27.0474 56.9851 -31.0072 -5.32734 -27.0474 -5.32727 -5.22209 GPRESSAVG: 2876600 44.8394 54.9638 -26.3863 58.2552 -30.1672 -4.0636 -27.3489 -5.49513 -4.87375 TIMING: 2876600 CPU: 9156.05, 0.00314615/step Wall: 9156.05, 0.00314615/step, 1.8557 hours remaining, 239.757812 MB of memory in use. ENERGY: 2876600 4089.0071 20585.6039 14577.2244 250.7734 -203597.4542 2665.5892 0.0000 0.0000 52154.5106 -109274.7456 299.7327 -161429.2562 -108917.8335 299.1405 51.3402 75.2021 761776.4023 3.2102 3.2661 PRESSURE: 2876800 125.241 -128.125 -53.7408 -128.126 166.688 108.415 -53.7405 108.416 346.751 GPRESSURE: 2876800 156.887 -87.5886 18.5933 -45.8585 153.543 71.3892 -18.0905 -31.4606 389.565 PRESSAVG: 2876800 24.1601 25.0614 3.73298 25.0613 0.572218 -28.694 3.73298 -28.694 0.683902 GPRESSAVG: 2876800 24.6122 24.7637 2.78539 23.1121 -1.13823 -29.9992 4.01663 -28.2386 1.66859 TIMING: 2876800 CPU: 9156.68, 0.00313599/step Wall: 9156.68, 0.00313598/step, 1.84953 hours remaining, 239.757812 MB of memory in use. ENERGY: 2876800 3910.3852 20508.8556 14545.0186 227.4435 -203157.9607 2596.0919 0.0000 0.0000 52106.6056 -109263.5605 299.4574 -161370.1661 -108892.8435 299.5984 212.8935 233.3314 761997.9597 8.4721 8.3809 PRESSURE: 2877000 61.7626 -205.087 15.8138 -205.087 -290.445 178.711 15.8132 178.711 -293.459 GPRESSURE: 2877000 146.173 -220.044 -19.1413 -145.793 -279.882 294.808 59.2833 124.754 -293.244 PRESSAVG: 2877000 25.4108 18.3128 3.90621 18.3129 -15.8563 12.6427 3.90623 12.6426 10.1284 GPRESSAVG: 2877000 25.4432 18.9337 3.09006 20.1786 -14.3096 12.0216 4.26725 15.5892 8.8152 TIMING: 2877000 CPU: 9157.31, 0.00312704/step Wall: 9157.31, 0.00312704/step, 1.84408 hours remaining, 239.757812 MB of memory in use. ENERGY: 2877000 4051.8545 20492.9563 14493.4934 250.9688 -203382.5843 2732.3579 0.0000 0.0000 52192.1009 -109168.8526 299.9487 -161360.9534 -108803.3430 299.3544 -174.0469 -142.3177 762231.4108 6.5610 6.6496 PRESSURE: 2877200 -253.263 72.7487 -80.0763 72.7487 -253.975 -35.5112 -80.0753 -35.5114 -14.2009 GPRESSURE: 2877200 -278.416 173.442 -84.6389 54.4983 -188.336 -33.7506 64.6126 -47.6956 36.2181 PRESSAVG: 2877200 -8.681 -8.66734 -92.1972 -8.66738 -55.1202 9.13824 -92.1972 9.13835 -6.3863 GPRESSAVG: 2877200 -8.68411 -9.4634 -90.9531 -9.06614 -55.1955 9.42438 -93.5159 9.96791 -6.4751 TIMING: 2877200 CPU: 9157.93, 0.00311487/step Wall: 9157.93, 0.00311487/step, 1.83673 hours remaining, 239.757812 MB of memory in use. ENERGY: 2877200 3984.0680 20621.5545 14481.1897 248.4405 -203377.6212 2583.0329 0.0000 0.0000 52198.8732 -109260.4625 299.9876 -161459.3357 -108898.8900 299.5384 -173.8130 -143.5113 761925.7525 -23.3958 -23.4516 PRESSURE: 2877400 -179.249 40.1874 -125.995 40.1873 427.102 21.6416 -125.995 21.6427 -82.1599 GPRESSURE: 2877400 -91.1269 143.7 -107.601 149.955 476.17 -3.91095 -112.886 -52.4353 -145.726 PRESSAVG: 2877400 -0.0283844 -0.964464 -6.12228 -0.964364 -12.5326 -34.3107 -6.12226 -34.3108 -9.63649 GPRESSAVG: 2877400 -0.887413 -0.781662 -6.52343 -1.68679 -11.0811 -36.5355 -5.28977 -34.3646 -9.30708 TIMING: 2877400 CPU: 9158.56, 0.00312928/step Wall: 9158.56, 0.00312928/step, 1.84506 hours remaining, 239.757812 MB of memory in use. ENERGY: 2877400 3979.7111 20634.8312 14477.5187 243.8704 -203085.2243 2588.2413 0.0000 0.0000 52106.7583 -109054.2933 299.4583 -161161.0516 -108694.2451 299.8543 55.2310 79.7724 761175.5655 -7.3992 -7.0919 PRESSURE: 2877600 83.8393 -24.1952 -8.36843 -24.1956 127.529 247.91 -8.36791 247.909 -245.337 GPRESSURE: 2877600 173.35 71.2582 65.388 -118.823 59.8982 230.304 -18.8252 255.531 -192.76 PRESSAVG: 2877600 -4.21828 5.31351 -24.3629 5.31347 -41.8736 -1.58444 -24.3628 -1.58444 12.8781 GPRESSAVG: 2877600 -3.69159 4.63954 -24.2098 5.32116 -41.8249 -0.681772 -22.5524 -3.3283 12.6047 TIMING: 2877600 CPU: 9159.18, 0.00312236/step Wall: 9159.18, 0.00312236/step, 1.8408 hours remaining, 239.757812 MB of memory in use. ENERGY: 2877600 4029.5602 20637.9359 14552.2524 241.8952 -203765.0073 2916.8177 0.0000 0.0000 52276.6299 -109109.9159 300.4345 -161386.5458 -108753.9990 300.1115 -11.3230 13.4960 759998.1961 -11.0713 -10.9706 PRESSURE: 2877800 -119.688 -13.7141 165.419 -13.7148 226.629 138.752 165.418 138.753 -92.2027 GPRESSURE: 2877800 -38.3461 -11.1131 181.948 -45.2586 167.715 206.813 37.6264 205.115 -31.5196 PRESSAVG: 2877800 -25.65 9.01716 -3.32393 9.01719 -1.34896 28.6805 -3.32395 28.6804 3.70638 GPRESSAVG: 2877800 -25.6781 8.93548 -4.41998 10.7949 -2.39566 29.7323 -3.53768 30.0823 4.76375 TIMING: 2877800 CPU: 9159.81, 0.00313774/step Wall: 9159.81, 0.00313774/step, 1.8497 hours remaining, 239.757812 MB of memory in use. ENERGY: 2877800 4073.5037 20634.7908 14532.7150 230.0724 -203519.2544 2758.5749 0.0000 0.0000 52123.1104 -109166.4872 299.5522 -161289.5976 -108816.4716 299.5364 4.9127 32.6166 760659.2896 -7.7642 -7.7700 PRESSURE: 2878000 261.608 128.773 80.0944 128.773 -93.4558 -118.169 80.0949 -118.17 148.079 GPRESSURE: 2878000 253.08 194.46 17.5192 11.1852 -71.1684 -86.1999 28.4773 -51.7103 222.137 PRESSAVG: 2878000 -22.4101 12.3209 -31.9724 12.3209 49.6131 14.1849 -31.9724 14.1849 3.44094 GPRESSAVG: 2878000 -21.499 12.406 -30.3867 11.8943 49.1418 12.6428 -33.7209 13.7525 2.9167 TIMING: 2878000 CPU: 9160.44, 0.00314239/step Wall: 9160.44, 0.00314239/step, 1.85227 hours remaining, 239.757812 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: 2878000 3974.2067 20624.5956 14498.8869 247.8255 -203224.1017 2754.2038 0.0000 0.0000 52013.3640 -109111.0193 298.9215 -161124.3833 -108741.2139 299.4261 105.4107 134.6830 760801.6395 10.2147 10.1865 PRESSURE: 2878200 -152.041 -32.3434 -189.425 -32.3435 184.672 -37.5938 -189.425 -37.592 187.078 GPRESSURE: 2878200 -52.8743 21.8436 -171.718 -104.476 227.357 22.0871 -203.826 1.43372 147.2 PRESSAVG: 2878200 -27.5662 19.8829 24.7124 19.8829 -8.31437 53.7114 24.7125 53.7115 13.2606 GPRESSAVG: 2878200 -27.3706 20.5126 24.3098 20.2717 -8.00723 54.1708 24.4767 52.9792 12.9284 TIMING: 2878200 CPU: 9161.06, 0.00313565/step Wall: 9161.06, 0.00313565/step, 1.84812 hours remaining, 239.757812 MB of memory in use. ENERGY: 2878200 4061.7630 20674.7188 14469.6746 226.7721 -203290.6594 2830.6552 0.0000 0.0000 52005.5675 -109021.5082 298.8767 -161027.0757 -108667.9234 300.0798 73.2363 107.2277 761217.9087 -7.5400 -7.4831 PRESSURE: 2878400 337.263 44.5808 -80.2873 44.581 72.3109 123.994 -80.2874 123.993 326.771 GPRESSURE: 2878400 353.944 27.085 -125.592 -24.3254 131.362 57.0592 -109.158 -23.2446 354.107 PRESSAVG: 2878400 3.47006 33.3871 -55.2997 33.3871 13.65 42.1605 -55.2997 42.1605 -7.95259 GPRESSAVG: 2878400 2.13062 34.327 -55.375 31.0571 14.8989 42.3826 -53.9671 39.7528 -8.17034 TIMING: 2878400 CPU: 9161.69, 0.00313889/step Wall: 9161.69, 0.00313889/step, 1.84985 hours remaining, 239.757812 MB of memory in use. ENERGY: 2878400 3970.8730 20485.0701 14489.5052 233.2283 -203630.9953 2855.8643 0.0000 0.0000 52302.9406 -109293.5137 300.5857 -161596.4544 -108934.1167 299.9880 245.4485 279.8042 761227.3866 3.0558 2.9530 PRESSURE: 2878600 -155.723 -13.7001 -61.3074 -13.7004 -113.286 19.7609 -61.3068 19.7616 311.018 GPRESSURE: 2878600 -170.768 30.0065 -49.2291 56.1093 36.8533 113.049 10.578 -50.8754 257.813 PRESSAVG: 2878600 8.04564 29.6315 1.34298 29.6315 4.02634 32.2928 1.34296 32.2928 -22.987 GPRESSAVG: 2878600 9.36867 29.4311 2.83027 32.6749 2.62477 33.8119 1.36956 33.8736 -22.5057 TIMING: 2878600 CPU: 9162.32, 0.00312907/step Wall: 9162.32, 0.00312907/step, 1.84389 hours remaining, 239.757812 MB of memory in use. ENERGY: 2878600 3983.9715 20545.7470 14492.2275 236.7310 -203356.7312 2693.2040 0.0000 0.0000 52285.0889 -109119.7612 300.4831 -161404.8501 -108764.5374 299.9950 14.0030 41.2995 761211.5669 -3.6383 -3.5041 PRESSURE: 2878800 218.973 19.4257 -28.6784 19.4266 58.932 -12.7449 -28.6777 -12.7459 12.2593 GPRESSURE: 2878800 352.001 60.5419 -23.2907 81.2514 -22.1575 -58.036 -62.0547 36.5988 43.7887 PRESSAVG: 2878800 -45.4506 16.8178 -57.8331 16.8178 11.1152 -9.32991 -57.8332 -9.3299 4.05471 GPRESSAVG: 2878800 -44.2155 16.6954 -58.9682 15.9106 10.3354 -10.4255 -56.7847 -9.1685 3.56031 TIMING: 2878800 CPU: 9162.95, 0.00314099/step Wall: 9162.95, 0.00314099/step, 1.85074 hours remaining, 239.757812 MB of memory in use. ENERGY: 2878800 3962.6927 20418.2344 14549.3074 248.5580 -203245.2861 2495.9466 0.0000 0.0000 52357.4316 -109213.1152 300.8989 -161570.5468 -108848.5147 299.8057 96.7214 124.5442 762895.0845 -10.0936 -10.1066 PRESSURE: 2879000 144.362 96.7664 177.133 96.766 184.436 -186.46 177.133 -186.461 206.793 GPRESSURE: 2879000 196.153 85.774 152.961 -58.8311 251.524 -142.072 119.02 -210.907 158.676 PRESSAVG: 2879000 -35.3453 24.418 -35.2531 24.418 -5.45003 20.3635 -35.2531 20.3636 18.91 GPRESSAVG: 2879000 -36.2444 23.2966 -36.1232 23.5001 -4.91975 20.8459 -35.8233 20.0742 18.827 TIMING: 2879000 CPU: 9163.57, 0.00312242/step Wall: 9163.57, 0.00312242/step, 1.83962 hours remaining, 239.757812 MB of memory in use. ENERGY: 2879000 3968.0108 20669.8607 14518.8986 238.9402 -203440.5789 2533.2686 0.0000 0.0000 52214.8760 -109296.7240 300.0796 -161511.6000 -108936.0523 299.8265 178.5303 202.1179 761740.9903 -7.2951 -7.4457 PRESSURE: 2879200 -180.874 -174.313 81.0694 -174.313 -21.5302 -220.891 81.0699 -220.891 240.657 GPRESSURE: 2879200 -97.4499 -102.34 -30.942 -128.548 -23.8486 -147.243 103.045 -144.709 245.425 PRESSAVG: 2879200 -17.7657 19.6536 32.4995 19.6536 43.1662 1.92258 32.4996 1.92262 -27.0481 GPRESSAVG: 2879200 -18.7693 20.9232 31.3313 21.9598 43.8399 1.2972 32.912 3.53486 -26.9485 TIMING: 2879200 CPU: 9164.2, 0.00313716/step Wall: 9164.2, 0.00313716/step, 1.84814 hours remaining, 239.757812 MB of memory in use. ENERGY: 2879200 3981.1193 20441.7122 14485.0255 271.3060 -203418.1117 2787.6232 0.0000 0.0000 51960.2815 -109491.0441 298.6165 -161451.3256 -109123.2216 299.4590 12.7508 41.3756 761561.0432 -0.5492 -0.6259 PRESSURE: 2879400 -48.6788 -136.178 -121.829 -136.178 130.588 -1.94537 -121.83 -1.94669 -43.3724 GPRESSURE: 2879400 -13.2695 -216.296 -63.8257 -81.8061 261.892 -24.7469 -95.9948 4.36991 -119.635 PRESSAVG: 2879400 3.86917 21.7954 -0.53458 21.7954 5.34083 -35.5315 -0.534608 -35.5315 -14.362 GPRESSAVG: 2879400 4.50774 21.5727 -0.879566 20.3444 5.43162 -35.8306 0.327851 -36.5848 -14.7753 TIMING: 2879400 CPU: 9164.83, 0.0031447/step Wall: 9164.83, 0.0031447/step, 1.85241 hours remaining, 239.757812 MB of memory in use. ENERGY: 2879400 3972.1315 20522.4534 14533.2267 251.6205 -203173.2547 2582.1973 0.0000 0.0000 51811.3081 -109500.3173 297.7603 -161311.6254 -109147.5025 299.4174 12.8456 42.9960 762280.0056 -1.7173 -1.6120 PRESSURE: 2879600 175.553 131.07 189.761 131.071 -113.272 100.99 189.761 100.989 -90.2374 GPRESSURE: 2879600 93.7167 74.2972 157.407 56.3388 -31.8981 73.0715 173.669 -44.4326 -19.7804 PRESSAVG: 2879600 1.82688 -15.5265 -31.5643 -15.5265 -8.4213 10.672 -31.5643 10.6721 -19.8888 GPRESSAVG: 2879600 0.725146 -17.3563 -28.6952 -15.4826 -9.35461 10.5821 -33.6342 9.57301 -18.9933 TIMING: 2879600 CPU: 9165.45, 0.00312398/step Wall: 9165.45, 0.00312398/step, 1.84003 hours remaining, 239.757812 MB of memory in use. ENERGY: 2879600 4019.2432 20604.4048 14494.8586 237.6176 -202916.5768 2339.0184 0.0000 0.0000 51919.1621 -109302.2721 298.3801 -161221.4342 -108948.7378 299.2334 -9.3189 14.0128 762646.2409 -8.8277 -9.2076 PRESSURE: 2879800 -373.56 -39.6407 61.684 -39.6401 -138.872 205.617 61.6846 205.618 -334.017 GPRESSURE: 2879800 -310.099 -37.9831 67.4276 7.40851 -135.504 168.958 88.3386 174.329 -308.381 PRESSAVG: 2879800 2.92574 -34.1086 -7.75463 -34.1086 -0.397671 53.9458 -7.75456 53.9459 5.44509 GPRESSAVG: 2879800 3.30318 -31.0421 -10.0627 -33.8691 0.0112605 54.8369 -8.00749 53.2793 5.05288 TIMING: 2879800 CPU: 9166.08, 0.00313214/step Wall: 9166.08, 0.00313214/step, 1.84466 hours remaining, 239.757812 MB of memory in use. ENERGY: 2879800 4032.6928 20428.5544 14407.1315 231.1915 -203470.8899 2662.1081 0.0000 0.0000 51944.2261 -109764.9856 298.5242 -161709.2116 -109404.5184 299.0216 -282.1497 -251.3282 761809.3853 2.6577 2.7891 PRESSURE: 2880000 -516.201 -139.631 -31.5718 -139.631 213.078 287.863 -31.5727 287.863 226.176 GPRESSURE: 2880000 -448.587 -139.471 16.3276 -215.653 196.553 304.641 78.5945 208.254 293.602 PRESSAVG: 2880000 -52.4962 -20.6037 -14.7359 -20.6038 36.4405 54.6179 -14.736 54.618 -14.3169 GPRESSAVG: 2880000 -53.0788 -21.9719 -12.7782 -19.9468 36.9525 53.7342 -13.7602 55.4269 -14.2139 TIMING: 2880000 CPU: 9166.7, 0.00312915/step Wall: 9166.7, 0.00312915/step, 1.84272 hours remaining, 239.757812 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: 2880000 3963.8393 20433.5720 14539.2039 249.8897 -203701.1288 2677.1122 0.0000 0.0000 52032.8653 -109804.6464 299.0336 -161837.5117 -109433.1971 298.2509 -25.6492 13.8560 759847.0388 -10.1242 -10.1134 PRESSURE: 2880200 147.417 -31.1789 -104.17 -31.1796 320.682 31.5029 -104.17 31.5028 53.9604 GPRESSURE: 2880200 243.096 -30.4037 -99.3169 84.5452 320.613 71.7348 -182.115 -13.0666 68.1027 PRESSAVG: 2880200 -2.19401 15.1954 -5.47992 15.1954 1.53722 42.1541 -5.4799 42.1541 8.10454 GPRESSAVG: 2880200 -1.36343 14.7109 -6.55859 16.8625 1.28524 42.2569 -5.4329 41.8904 7.5649 TIMING: 2880200 CPU: 9167.33, 0.00314252/step Wall: 9167.33, 0.00314252/step, 1.85042 hours remaining, 239.757812 MB of memory in use. ENERGY: 2880200 3984.5622 20470.9158 14498.6493 244.8508 -203297.5108 2479.9752 0.0000 0.0000 52008.3297 -109610.2280 298.8926 -161618.5577 -109250.4268 299.1279 174.0198 210.6038 760763.1968 2.4826 2.4956 LDB: ============= START OF LOAD BALANCING ============== 9179.78 LDB: ============== END OF LOAD BALANCING =============== 9179.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9179.78 LDB: ============= START OF LOAD BALANCING ============== 9180.1 LDB: Largest compute 7060 load 0.034320 is 17.6% of average load 0.195435 LDB: Average compute 0.004388 is 2.2% of average load 0.195435 LDB: TIME 9180.1 LOAD: AVG 0.195435 MAX 0.215875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 9180.1 LOAD: AVG 0.195435 MAX 0.215875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: TIME 9180.1 LOAD: AVG 0.195435 MAX 0.215875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: ============== END OF LOAD BALANCING =============== 9180.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9180.11 PRESSURE: 2880400 26.4369 -20.5033 -142.461 -20.5027 -223.232 17.1842 -142.46 17.1839 -196.991 GPRESSURE: 2880400 15.1283 -20.3965 -147.753 -156.667 -74.6133 16.7272 -59.5534 64.8464 -254.065 PRESSAVG: 2880400 15.9322 -28.6307 -43.7896 -28.6308 -16.1591 30.3031 -43.7896 30.3031 9.55703 GPRESSAVG: 2880400 16.4046 -27.6186 -43.3608 -31.4804 -16.9374 31.4461 -46.1201 30.4433 9.28876 TIMING: 2880400 CPU: 9167.97, 0.0032116/step Wall: 9167.97, 0.0032116/step, 1.89092 hours remaining, 240.605469 MB of memory in use. ENERGY: 2880400 3960.8223 20589.2669 14475.8584 241.7670 -202784.7487 2187.6251 0.0000 0.0000 51879.0938 -109450.3151 298.1499 -161329.4089 -109083.4806 298.9630 -131.2622 -104.5167 762957.7629 3.1100 2.9186 PRESSURE: 2880600 152.344 58.9666 -135.599 58.9665 -138.968 -198.39 -135.598 -198.39 126.794 GPRESSURE: 2880600 102.77 32.2797 -219.281 34.2326 -59.108 -291.433 -61.1522 -153.001 170.696 PRESSAVG: 2880600 -4.74957 -18.2273 22.8795 -18.2273 37.4665 13.1577 22.8795 13.1577 -2.10876 GPRESSAVG: 2880600 -5.88506 -18.9192 21.7879 -16.8995 36.6695 12.6278 25.7744 13.5367 -0.959916 TIMING: 2880600 CPU: 9168.6, 0.00313765/step Wall: 9168.6, 0.00313765/step, 1.84721 hours remaining, 240.808594 MB of memory in use. ENERGY: 2880600 3978.6407 20520.9501 14457.4928 238.7820 -203700.6615 2767.5146 0.0000 0.0000 52069.5115 -109667.7698 299.2442 -161737.2814 -109295.2423 298.8908 46.7236 71.4530 760727.4746 10.2027 9.9415 PRESSURE: 2880800 -25.2896 -6.48999 100.915 -6.49 -301.866 30.6489 100.916 30.6486 -190.396 GPRESSURE: 2880800 43.2009 5.28679 152.503 126.028 -368.434 50.6701 0.0329799 -65.3053 -101.847 PRESSAVG: 2880800 -19.6895 -19.0316 -40.4425 -19.0316 4.17108 -0.493479 -40.4425 -0.493468 -23.641 GPRESSAVG: 2880800 -18.9758 -18.9939 -39.5259 -19.2002 3.90588 -0.701838 -42.9114 -1.17818 -24.0112 TIMING: 2880800 CPU: 9169.23, 0.00314419/step Wall: 9169.23, 0.00314418/step, 1.85088 hours remaining, 240.808594 MB of memory in use. ENERGY: 2880800 4001.0278 20547.9635 14483.9123 266.1789 -203232.0820 2370.3397 0.0000 0.0000 51910.7975 -109651.8623 298.3321 -161562.6597 -109293.0183 298.4646 -172.5173 -142.3602 762624.7576 -13.0531 -13.0271 PRESSURE: 2881000 -73.6688 -9.12168 -75.2262 -9.12206 109.037 107.354 -75.2263 107.355 76.5488 GPRESSURE: 2881000 -67.735 151.253 -20.7767 62.4655 82.4178 47.3773 -69.8592 81.3703 148.396 PRESSAVG: 2881000 -59.8576 -11.5686 -8.07776 -11.5686 56.0905 25.8437 -8.07776 25.8437 2.41801 GPRESSAVG: 2881000 -60.1859 -11.5685 -7.47375 -9.69015 56.4772 26.5106 -8.73821 25.4924 1.69389 TIMING: 2881000 CPU: 9169.86, 0.00312721/step Wall: 9169.86, 0.00312721/step, 1.84071 hours remaining, 240.808594 MB of memory in use. ENERGY: 2881000 4035.4452 20442.7114 14440.9156 253.2312 -203532.3138 3033.8964 0.0000 0.0000 51755.4660 -109570.6481 297.4394 -161326.1141 -109204.6069 298.1190 37.3057 54.3597 763396.6407 -0.4497 -0.6716 PRESSURE: 2881200 -74.7442 40.0067 39.6273 40.0067 30.7927 52.0871 39.6269 52.0878 -473.85 GPRESSURE: 2881200 -29.4416 75.5272 -19.2285 -77.6852 166.899 7.61515 85.728 -104.85 -534.668 PRESSAVG: 2881200 -49.0161 -36.0458 -30.486 -36.0458 -5.19438 -20.105 -30.4861 -20.105 -5.79272 GPRESSAVG: 2881200 -48.4169 -35.504 -30.4469 -35.8422 -5.8768 -20.6992 -29.7283 -20.6006 -5.64681 TIMING: 2881200 CPU: 9170.48, 0.00311383/step Wall: 9170.48, 0.00311383/step, 1.83266 hours remaining, 240.808594 MB of memory in use. ENERGY: 2881200 4000.8854 20418.7685 14473.2380 247.0329 -203025.5196 2575.7107 0.0000 0.0000 51942.8696 -109367.0144 298.5164 -161309.8840 -109002.0348 298.3000 -172.6004 -132.4036 763926.5943 -20.0011 -19.9802 PRESSURE: 2881400 22.1307 87.3195 30.4834 87.3189 4.98289 79.1273 30.4836 79.1278 147.478 GPRESSURE: 2881400 63.8036 40.7879 -12.5302 91.1427 14.192 127.908 54.0631 -6.28305 174.82 PRESSAVG: 2881400 -46.1608 9.68819 -23.7879 9.68816 53.2807 26.8464 -23.7879 26.8464 -19.9873 GPRESSAVG: 2881400 -46.9858 8.20486 -25.0053 9.12113 53.5006 27.7809 -23.8903 27.0236 -19.7098 TIMING: 2881400 CPU: 9171.11, 0.00313435/step Wall: 9171.11, 0.00313435/step, 1.84456 hours remaining, 240.808594 MB of memory in use. ENERGY: 2881400 3994.0873 20422.7316 14540.5894 251.8628 -203126.6813 2430.3680 0.0000 0.0000 52238.5771 -109248.4652 300.2158 -161487.0423 -108876.9022 299.1935 58.1973 84.2718 762591.2477 -4.2892 -4.3984 PRESSURE: 2881600 20.7607 -131.358 194.591 -131.357 -17.8837 -202.54 194.591 -202.54 183.152 GPRESSURE: 2881600 111.179 -115.075 257.488 -102.075 -9.31847 -156.751 110.948 -50.2897 157.136 PRESSAVG: 2881600 40.3205 -20.952 8.89967 -20.9521 -21.7638 -16.2458 8.89963 -16.2458 18.1888 GPRESSAVG: 2881600 41.1953 -20.7104 10.3541 -21.5933 -21.7684 -18.5028 8.8481 -16.0859 17.3552 TIMING: 2881600 CPU: 9171.73, 0.00314405/step Wall: 9171.73, 0.00314405/step, 1.8501 hours remaining, 240.808594 MB of memory in use. ENERGY: 2881600 4037.2553 20530.9636 14573.8324 230.8953 -203096.6133 2388.9339 0.0000 0.0000 52015.2143 -109319.5184 298.9322 -161334.7327 -108963.0678 298.9835 62.0097 86.3321 762386.2276 12.2485 12.2607 PRESSURE: 2881800 -189.97 -227.523 -66.4002 -227.523 114.838 -7.54926 -66.401 -7.5493 -221.433 GPRESSURE: 2881800 -69.4949 -361.346 -122.616 -131.734 85.8507 60.9099 34.6343 -30.5089 -244.607 PRESSAVG: 2881800 21.432 -75.1805 19.392 -75.1805 -2.77574 47.3977 19.3919 47.3977 -5.35697 GPRESSAVG: 2881800 20.8619 -76.4157 18.6409 -73.0239 -2.58337 47.566 18.3211 50.4292 -5.34565 TIMING: 2881800 CPU: 9172.36, 0.00314383/step Wall: 9172.36, 0.00314383/step, 1.8498 hours remaining, 240.808594 MB of memory in use. ENERGY: 2881800 3991.6730 20581.4450 14518.0614 248.7463 -203453.4386 2478.4226 0.0000 0.0000 52269.2562 -109365.8342 300.3921 -161635.0904 -108999.3053 299.6807 -98.8550 -76.0836 763125.9281 4.4331 4.3110 PRESSURE: 2882000 -15.3108 -64.8124 -92.2329 -64.8111 4.23575 154.807 -92.2331 154.808 360.182 GPRESSURE: 2882000 111.306 -129.195 -23.714 8.45911 65.015 94.6403 4.45095 32.4501 277.654 PRESSAVG: 2882000 46.1898 -22.6817 18.496 -22.6817 -19.4632 28.6341 18.496 28.6341 -14.8455 GPRESSAVG: 2882000 46.3225 -22.5947 18.281 -24.4051 -19.1583 27.4349 20.3174 27.4395 -14.8283 TIMING: 2882000 CPU: 9172.99, 0.00312215/step Wall: 9172.99, 0.00312215/step, 1.83686 hours remaining, 240.808594 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: 2882000 3942.7254 20592.5861 14551.6238 254.8745 -203609.9758 2802.1545 0.0000 0.0000 51965.4938 -109500.5179 298.6464 -161466.0116 -109138.9944 298.7874 116.3691 151.3249 760883.3736 3.9604 4.1119 PRESSURE: 2882200 -716.713 -42.485 -54.515 -42.4854 -34.9782 -11.2825 -54.515 -11.2824 257.408 GPRESSURE: 2882200 -561.213 46.8984 -9.00638 -24.5694 -54.9327 -15.9947 -156.932 -15.0112 199.338 PRESSAVG: 2882200 -12.1908 -15.8721 -39.9198 -15.8721 -7.89915 17.5525 -39.9198 17.5525 -1.60942 GPRESSAVG: 2882200 -12.3909 -12.5559 -39.683 -17.2731 -7.25558 19.2472 -41.0673 17.1928 -2.28319 TIMING: 2882200 CPU: 9173.61, 0.00312519/step Wall: 9173.61, 0.00312519/step, 1.83848 hours remaining, 240.808594 MB of memory in use. ENERGY: 2882200 4035.5800 20623.8561 14527.1873 250.5794 -203226.2989 2254.7247 0.0000 0.0000 51988.4539 -109545.9175 298.7784 -161534.3714 -109181.7787 298.4641 -164.7609 -138.9360 761797.4808 -7.2331 -7.3099 PRESSURE: 2882400 -108.698 -68.3607 15.7038 -68.3615 -112.951 -31.3227 15.7035 -31.3222 -67.6149 GPRESSURE: 2882400 -116.074 60.3916 18.2161 -8.48995 -54.1442 30.6391 -44.3321 109.394 -48.3445 PRESSAVG: 2882400 -35.6046 -6.49577 -48.3758 -6.49581 0.790677 44.4438 -48.3758 44.4439 -5.58913 GPRESSAVG: 2882400 -36.6356 -8.59249 -48.6916 -4.88548 0.687863 43.7823 -47.6469 44.7253 -4.49329 TIMING: 2882400 CPU: 9174.24, 0.00313699/step Wall: 9174.24, 0.00313699/step, 1.84525 hours remaining, 240.808594 MB of memory in use. ENERGY: 2882400 4021.0957 20479.9533 14491.2498 240.3022 -203634.2009 2715.8998 0.0000 0.0000 52275.2533 -109410.4468 300.4266 -161685.7001 -109047.7799 299.3465 -96.4213 -72.8543 762757.9266 -13.4677 -13.4803 PRESSURE: 2882600 -25.5764 103.172 140.516 103.171 -155.918 -125.398 140.516 -125.398 -43.776 GPRESSURE: 2882600 1.90197 181.882 95.0377 141.359 -133.62 -147.426 38.7704 -42.7427 -22.2663 PRESSAVG: 2882600 42.1446 -13.229 21.4153 -13.229 14.5293 57.8628 21.4152 57.8628 7.30333 GPRESSAVG: 2882600 42.6674 -12.7226 20.2432 -13.4165 13.728 57.3412 21.5806 57.3684 8.02115 TIMING: 2882600 CPU: 9174.86, 0.00312164/step Wall: 9174.86, 0.00312164/step, 1.83605 hours remaining, 240.808594 MB of memory in use. ENERGY: 2882600 4035.2686 20457.6281 14474.0731 257.8685 -203435.5508 2534.9823 0.0000 0.0000 52122.8878 -109552.8425 299.5510 -161675.7303 -109192.1751 299.1917 -75.0900 -51.3283 760961.5816 21.3257 21.4722 PRESSURE: 2882800 -81.0665 19.8099 -276.037 19.8093 -360.612 177.081 -276.038 177.08 35.7887 GPRESSURE: 2882800 -69.4098 18.6453 -261.088 32.0497 -300.875 125.218 -324.223 269.163 70.7331 PRESSAVG: 2882800 22.1787 -19.2631 -40.752 -19.2631 -41.2299 78.2525 -40.752 78.2525 16.3406 GPRESSAVG: 2882800 21.5696 -19.8801 -39.4086 -18.03 -40.0821 77.9824 -43.3338 79.9495 15.7617 TIMING: 2882800 CPU: 9175.48, 0.0031034/step Wall: 9175.48, 0.00310339/step, 1.82514 hours remaining, 240.808594 MB of memory in use. ENERGY: 2882800 3931.8481 20718.5114 14502.1608 250.7503 -203446.9667 2471.3453 0.0000 0.0000 51879.1534 -109693.1972 298.1502 -161572.3507 -109338.1657 298.5098 -135.2967 -99.8506 762727.6460 -0.9035 -0.9169 PRESSURE: 2883000 -339.908 39.3638 9.00274 39.3644 -10.333 96.7092 9.00294 96.7099 75.6923 GPRESSURE: 2883000 -304.77 -22.3201 69.9304 -4.45415 48.8235 35.583 144.693 -18.8772 85.1105 PRESSAVG: 2883000 -13.1968 -26.0092 25.1124 -26.0091 9.36837 41.8693 25.1124 41.8693 -28.0892 GPRESSAVG: 2883000 -12.0624 -25.238 25.2391 -27.3352 8.44732 41.8976 27.2852 38.1654 -27.9282 TIMING: 2883000 CPU: 9176.11, 0.00313096/step Wall: 9176.11, 0.00313096/step, 1.84118 hours remaining, 240.808594 MB of memory in use. ENERGY: 2883000 4054.7741 20514.9292 14495.3911 242.8470 -203399.9182 2533.1972 0.0000 0.0000 52030.7165 -109528.0631 299.0212 -161558.7796 -109176.4639 298.1227 -91.5164 -56.9452 762374.8640 -10.6392 -10.5144 PRESSURE: 2883200 -203.893 -64.4572 260.461 -64.4577 17.1886 59.6899 260.462 59.69 207.28 GPRESSURE: 2883200 -124.277 -31.3359 323.671 -69.3958 55.3797 147.478 139.715 38.5954 182.623 PRESSAVG: 2883200 20.2936 -34.0316 24.6752 -34.0316 5.48505 32.4507 24.6752 32.4508 10.6148 GPRESSAVG: 2883200 19.5298 -35.5923 23.7373 -33.1365 6.01232 31.8631 23.8149 33.608 11.0088 TIMING: 2883200 CPU: 9176.74, 0.00314116/step Wall: 9176.74, 0.00314116/step, 1.847 hours remaining, 240.808594 MB of memory in use. ENERGY: 2883200 4059.8134 20527.4777 14571.7760 250.3477 -204093.7517 3150.5717 0.0000 0.0000 52049.9013 -109483.8639 299.1315 -161533.7652 -109117.8837 299.0521 6.8588 37.9086 761608.5221 12.1311 12.1836 PRESSURE: 2883400 225.844 -22.9218 212.608 -22.9222 164.621 0.856695 212.608 0.857807 -13.8068 GPRESSURE: 2883400 233.584 7.6644 201.724 -116.912 234.887 36.651 106.306 62.1213 -7.02478 PRESSAVG: 2883400 70.2326 -15.1883 2.15438 -15.1883 -62.2912 4.35318 2.15435 4.35317 -9.76461 GPRESSAVG: 2883400 69.9061 -15.0583 1.36534 -15.7993 -62.7132 6.06791 1.60614 6.16685 -9.16254 TIMING: 2883400 CPU: 9177.37, 0.00314105/step Wall: 9177.37, 0.00314105/step, 1.84676 hours remaining, 240.808594 MB of memory in use. ENERGY: 2883400 3958.9531 20531.1464 14542.0841 253.8514 -203237.9184 2707.3728 0.0000 0.0000 51974.3472 -109270.1634 298.6973 -161244.5106 -108910.7311 299.3276 125.5530 153.8154 761713.2139 -0.6077 -0.6566 PRESSURE: 2883600 174.221 111.025 -123.483 111.025 -97.3643 125.137 -123.483 125.137 -357.349 GPRESSURE: 2883600 208.939 39.057 -31.9553 43.358 -54.8488 153.743 -12.3149 89.5312 -320.599 PRESSAVG: 2883600 32.1144 -17.2917 43.0009 -17.2917 4.22778 -1.77706 43.0009 -1.77705 -17.1335 GPRESSAVG: 2883600 32.764 -16.8767 44.5887 -16.5685 4.67723 -2.52497 44.0336 -4.34121 -18.6251 TIMING: 2883600 CPU: 9177.99, 0.00311825/step Wall: 9177.99, 0.00311825/step, 1.83318 hours remaining, 240.808594 MB of memory in use. ENERGY: 2883600 4037.1336 20440.5595 14465.4289 247.2935 -203060.3408 2567.2345 0.0000 0.0000 52051.5983 -109251.0924 299.1413 -161302.6907 -108881.4150 299.7191 -93.4974 -55.5028 762562.6826 6.4029 6.2720 PRESSURE: 2883800 -278.772 -161.94 43.9673 -161.94 -3.37217 -83.4142 43.967 -83.414 298.374 GPRESSURE: 2883800 -221.114 -40.2831 20.8191 -248.851 8.91009 -54.8566 46.7524 41.4742 290.043 PRESSAVG: 2883800 58.0467 6.3574 49.3705 6.35744 -33.3441 26.8451 49.3705 26.8451 17.5781 GPRESSAVG: 2883800 57.5726 7.31533 48.1144 5.68054 -32.6243 26.8828 48.3663 28.8039 17.3484 TIMING: 2883800 CPU: 9178.62, 0.00312937/step Wall: 9178.62, 0.00312937/step, 1.83955 hours remaining, 240.808594 MB of memory in use. ENERGY: 2883800 4035.6872 20671.1973 14469.6920 261.9171 -203424.2808 2614.3402 0.0000 0.0000 52226.5760 -109144.8711 300.1469 -161371.4471 -108779.3861 299.7747 5.4098 25.9462 760244.7427 14.0936 14.0989 PRESSURE: 2884000 48.791 217.912 49.1529 217.912 147.54 97.1437 49.1532 97.1442 -249.727 GPRESSURE: 2884000 99.15 141.419 -27.4655 158.306 141.743 14.9681 6.23887 6.91042 -228.618 PRESSAVG: 2884000 19.3865 4.23803 25.9499 4.23808 18.4487 16.2171 25.9499 16.2171 3.17687 GPRESSAVG: 2884000 18.6665 3.1798 26.5249 3.93675 16.8413 16.1763 25.6068 15.81 4.88471 TIMING: 2884000 CPU: 9179.24, 0.00312215/step Wall: 9179.24, 0.00312215/step, 1.83513 hours remaining, 240.808594 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: 2884000 4020.6871 20505.6574 14524.7413 225.9899 -203116.8242 2438.9020 0.0000 0.0000 52223.9538 -109176.8929 300.1318 -161400.8466 -108807.1609 300.0718 -17.7987 4.0917 761085.1664 13.6707 13.4642 PRESSURE: 2884200 166.316 -88.0523 -105.765 -88.0518 116.424 -99.5812 -105.766 -99.5809 76.8038 GPRESSURE: 2884200 175.293 -23.6746 -20.9731 -126.603 67.9724 -85.1117 -135.892 -51.0934 202.006 PRESSAVG: 2884200 66.3924 43.0255 -3.75976 43.0255 -13.1323 -1.61325 -3.75966 -1.61319 3.30651 GPRESSAVG: 2884200 66.4781 44.8329 -3.85716 43.4204 -13.101 -1.37791 -2.94624 -3.06202 3.66866 TIMING: 2884200 CPU: 9179.87, 0.00313354/step Wall: 9179.87, 0.00313354/step, 1.84165 hours remaining, 240.808594 MB of memory in use. ENERGY: 2884200 4104.7408 20499.3338 14509.7899 258.8873 -203241.3610 2620.4124 0.0000 0.0000 52071.0516 -109177.1451 299.2530 -161248.1967 -108812.8264 299.7621 119.8479 148.4237 760635.0989 18.8556 19.0153 LDB: ============= START OF LOAD BALANCING ============== 9192.32 LDB: ============== END OF LOAD BALANCING =============== 9192.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9192.32 LDB: ============= START OF LOAD BALANCING ============== 9192.63 LDB: Largest compute 7064 load 0.033159 is 17.0% of average load 0.195364 LDB: Average compute 0.004373 is 2.2% of average load 0.195364 LDB: TIME 9192.63 LOAD: AVG 0.195364 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.992 MB LDB: TIME 9192.63 LOAD: AVG 0.195364 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.086 MB LDB: TIME 9192.63 LOAD: AVG 0.195364 MAX 0.214374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.086 MB LDB: ============== END OF LOAD BALANCING =============== 9192.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9192.64 PRESSURE: 2884400 47.26 133.878 -47.5271 133.878 -248.871 -136.709 -47.5269 -136.709 -103.434 GPRESSURE: 2884400 42.6187 334.64 -68.1482 54.4289 -144.5 -94.0366 -8.21755 -144.658 -92.1276 PRESSAVG: 2884400 -10.3415 23.9059 32.1493 23.9058 32.2008 29.975 32.1492 29.975 14.9766 GPRESSAVG: 2884400 -9.56204 24.8771 32.6981 22.3952 33.505 31.1127 31.7726 29.166 12.9698 TIMING: 2884400 CPU: 9180.51, 0.00318988/step Wall: 9180.51, 0.00318988/step, 1.87459 hours remaining, 241.136719 MB of memory in use. ENERGY: 2884400 4087.6012 20515.9483 14484.9921 257.2272 -203165.5582 2438.7404 0.0000 0.0000 52114.3841 -109266.6649 299.5021 -161381.0490 -108899.9581 299.6502 -101.6815 -64.6695 761276.4868 12.2786 12.3043 PRESSURE: 2884600 -110.229 69.407 -11.034 69.4074 -175.4 -133.854 -11.0344 -133.854 -256.988 GPRESSURE: 2884600 -76.2192 13.7366 -75.6745 89.166 -148.225 -37.7788 94.4452 -192.16 -228.58 PRESSAVG: 2884600 59.0175 -5.95515 -34.5747 -5.95514 -46.7988 -8.83664 -34.5747 -8.83661 2.61063 GPRESSAVG: 2884600 58.1188 -6.99584 -35.2425 -5.03539 -47.2633 -10.1413 -33.8539 -6.94446 3.19846 TIMING: 2884600 CPU: 9181.13, 0.0031254/step Wall: 9181.13, 0.0031254/step, 1.83652 hours remaining, 241.136719 MB of memory in use. ENERGY: 2884600 4012.9213 20483.3363 14504.6806 248.8859 -203276.9218 2332.5471 0.0000 0.0000 52208.2336 -109486.3171 300.0414 -161694.5507 -109121.2645 299.3584 -180.8723 -151.0079 761123.4798 4.9431 4.6847 PRESSURE: 2884800 -255.244 119.927 -97.9042 119.928 221.624 209.835 -97.9043 209.835 454.784 GPRESSURE: 2884800 -110.441 71.7304 -75.8675 159.088 157.554 254.138 -191.588 131.917 465.288 PRESSAVG: 2884800 63.0259 -3.87213 3.74597 -3.87212 -44.9462 16.0735 3.74592 16.0734 -5.20165 GPRESSAVG: 2884800 63.6686 -2.19142 3.6588 -4.60028 -46.0758 15.6758 2.53379 14.816 -4.94957 TIMING: 2884800 CPU: 9181.76, 0.00312014/step Wall: 9181.76, 0.00312014/step, 1.83326 hours remaining, 241.136719 MB of memory in use. ENERGY: 2884800 3928.1371 20551.8403 14476.6681 242.6604 -203298.4627 2686.4417 0.0000 0.0000 51920.8995 -109491.8157 298.3901 -161412.7151 -109130.3921 299.1957 140.3884 170.8004 761826.2100 4.2927 4.2144 PRESSURE: 2885000 -14.3459 88.8804 109.95 88.8801 -228.598 55.1647 109.95 55.1651 -446.156 GPRESSURE: 2885000 59.3114 163.62 217.515 -35.0218 -288.094 -38.0716 82.6178 61.7326 -376.357 PRESSAVG: 2885000 -19.9552 -7.05337 -27.8363 -7.05336 -13.0293 17.0415 -27.8362 17.0415 -18.2504 GPRESSAVG: 2885000 -18.9755 -8.32401 -27.6529 -6.115 -13.2054 15.6753 -26.9937 16.9374 -18.9653 TIMING: 2885000 CPU: 9182.38, 0.00310827/step Wall: 9182.38, 0.00310827/step, 1.82611 hours remaining, 241.136719 MB of memory in use. ENERGY: 2885000 3931.3428 20541.2822 14531.2498 255.5126 -203173.4140 2446.8382 0.0000 0.0000 52130.2061 -109336.9823 299.5930 -161467.1883 -108966.4757 299.1079 -229.7000 -201.7130 761967.4143 -17.0783 -17.0488 PRESSURE: 2885200 -208.933 208.447 28.4493 208.448 -39.5156 -108.794 28.4484 -108.794 134.229 GPRESSURE: 2885200 -139.078 153.323 -8.67219 160.797 -31.2253 -56.9494 133.074 -49.1453 156.603 PRESSAVG: 2885200 15.1422 -20.6329 -33.1315 -20.6329 -15.7753 -32.8174 -33.1314 -32.8173 -9.17295 GPRESSAVG: 2885200 13.7188 -22.8659 -31.9744 -21.7121 -13.5134 -31.0146 -33.1758 -31.6471 -9.87066 TIMING: 2885200 CPU: 9183, 0.00313266/step Wall: 9183, 0.00313266/step, 1.84027 hours remaining, 241.136719 MB of memory in use. ENERGY: 2885200 4008.3347 20429.1113 14539.3884 272.4157 -203382.6691 2454.9490 0.0000 0.0000 52288.4220 -109390.0481 300.5023 -161678.4701 -109034.2962 299.5494 -38.0732 -4.5665 760442.1220 -3.2687 -3.2218 PRESSURE: 2885400 171.476 -12.2989 12.3104 -12.2977 264.922 -79.0111 12.3103 -79.0113 -10.9542 GPRESSURE: 2885400 224.145 83.9432 -13.7284 32.7752 255.426 -101.939 81.5178 87.5669 17.1747 PRESSAVG: 2885400 -15.1171 19.6783 -22.3963 19.6783 67.5392 -34.0436 -22.3963 -34.0436 -13.251 GPRESSAVG: 2885400 -14.2786 22.267 -23.5561 20.941 66.4771 -34.9816 -22.2033 -33.7376 -13.1974 TIMING: 2885400 CPU: 9183.63, 0.00315119/step Wall: 9183.63, 0.00315119/step, 1.85097 hours remaining, 241.136719 MB of memory in use. ENERGY: 2885400 3942.0303 20446.2995 14527.2755 240.2465 -203338.2898 2449.7322 0.0000 0.0000 52213.2236 -109519.4822 300.0701 -161732.7058 -109153.2042 299.6256 141.8145 165.5817 759101.5349 13.0570 13.0004 PRESSURE: 2885600 100.129 -53.4694 11.0815 -53.4693 139.831 178.715 11.0813 178.713 177.101 GPRESSURE: 2885600 236.243 -39.1702 -39.9942 12.1857 92.8259 185.449 67.7674 171.751 181.009 PRESSAVG: 2885600 15.7866 25.3256 -28.6906 25.3256 31.9546 16.2799 -28.6906 16.2798 13.4233 GPRESSAVG: 2885600 15.4478 22.6516 -28.1838 26.7545 31.1143 16.5343 -26.9934 16.3006 14.3251 TIMING: 2885600 CPU: 9184.26, 0.00312971/step Wall: 9184.26, 0.00312971/step, 1.83818 hours remaining, 241.136719 MB of memory in use. ENERGY: 2885600 3881.1660 20563.8587 14561.3144 258.9428 -203592.1197 2806.5218 0.0000 0.0000 52182.8163 -109337.4997 299.8954 -161520.3160 -108968.5105 299.1842 139.0203 170.0263 759488.4797 20.3882 20.2958 PRESSURE: 2885800 -99.2829 -122.754 21.1395 -122.755 326.581 -47.3475 21.1385 -47.3485 42.3848 GPRESSURE: 2885800 -77.1463 -202.456 106.533 -93.9196 391.921 -46.8332 8.39711 54.0428 43.7113 PRESSAVG: 2885800 26.1526 16.7725 -21.5373 16.7725 35.57 34.1306 -21.5373 34.1307 30.9579 GPRESSAVG: 2885800 25.8938 18.1923 -23.2396 14.8893 36.2536 32.9892 -22.7374 34.846 30.3527 TIMING: 2885800 CPU: 9184.89, 0.00313629/step Wall: 9184.89, 0.00313629/step, 1.84187 hours remaining, 241.332031 MB of memory in use. ENERGY: 2885800 3924.1516 20378.1547 14438.0448 228.2300 -203400.5935 2731.7018 0.0000 0.0000 52302.8415 -109397.4691 300.5851 -161700.3106 -109021.1429 299.1749 89.8943 119.4952 761990.1423 30.8935 30.8333 PRESSURE: 2886000 -94.8029 68.4802 168.706 68.4809 -367.748 -115.532 168.706 -115.531 -210.758 GPRESSURE: 2886000 -58.9362 100.018 211.495 37.4753 -211.131 -93.4087 67.6013 -18.7832 -291.017 PRESSAVG: 2886000 1.39956 50.8735 19.3479 50.8735 -44.5876 45.6755 19.3479 45.6755 0.768231 GPRESSAVG: 2886000 1.16124 49.6123 20.7622 50.7468 -43.691 45.6608 18.575 45.2185 -0.204479 TIMING: 2886000 CPU: 9185.52, 0.00315049/step Wall: 9185.52, 0.00315049/step, 1.85004 hours remaining, 241.332031 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: 2886000 3930.0331 20470.2870 14529.8413 241.2409 -202500.6904 1991.2690 0.0000 0.0000 52004.8636 -109333.1556 298.8727 -161338.0192 -108975.1995 298.5366 -224.4363 -187.0282 763039.6012 -14.1399 -14.2448 PRESSURE: 2886200 -34.8509 68.9714 132.082 68.9711 60.0702 17.3274 132.082 17.3279 -20.6144 GPRESSURE: 2886200 7.67169 32.9254 119.151 73.7326 84.3149 -7.6028 101.938 -23.7931 17.1187 PRESSAVG: 2886200 23.1228 -17.3223 -11.7769 -17.3222 12.7695 44.1706 -11.7769 44.1706 5.46698 GPRESSAVG: 2886200 23.3154 -13.6053 -11.576 -18.0123 11.6208 46.1365 -11.7708 42.3369 6.13687 TIMING: 2886200 CPU: 9186.15, 0.00314703/step Wall: 9186.15, 0.00314703/step, 1.84783 hours remaining, 241.332031 MB of memory in use. ENERGY: 2886200 3995.4182 20590.6987 14554.5122 272.0230 -202579.0538 2025.5627 0.0000 0.0000 51799.1136 -109341.7255 297.6902 -161140.8391 -108983.4642 299.1742 1.5350 36.3684 761191.0611 13.7864 13.6910 PRESSURE: 2886400 -107.431 -115.842 188.307 -115.842 -170.639 79.0822 188.308 79.0831 -155.235 GPRESSURE: 2886400 -81.5071 -5.0801 170.676 -193.518 -136.917 107.371 125.184 -52.8409 -153.105 PRESSAVG: 2886400 -5.70048 5.16768 -25.158 5.16771 -69.3782 23.5083 -25.1581 23.5083 -10.2027 GPRESSAVG: 2886400 -5.40908 3.39901 -24.7656 6.07565 -69.561 22.2576 -25.1623 24.455 -10.8735 TIMING: 2886400 CPU: 9186.78, 0.00317326/step Wall: 9186.78, 0.00317326/step, 1.86305 hours remaining, 241.332031 MB of memory in use. ENERGY: 2886400 4049.9023 20533.7381 14467.1585 237.7776 -203292.9619 2425.0915 0.0000 0.0000 52283.6347 -109295.6591 300.4748 -161579.2939 -108930.9653 299.1620 -144.4346 -123.8430 761593.2706 -28.4271 -28.6145 PRESSURE: 2886600 114.649 -88.8544 -211.158 -88.854 -348.014 139.622 -211.158 139.622 -201.259 GPRESSURE: 2886600 94.5687 -32.0565 -194.268 -37.4069 -254.633 139.125 -178.646 28.7742 -183.157 PRESSAVG: 2886600 24.1783 -22.3532 -15.8494 -22.3533 -3.27728 12.4192 -15.8494 12.4191 -8.17856 GPRESSAVG: 2886600 23.3515 -22.5376 -17.0129 -21.9964 -3.30531 10.9171 -12.4817 13.0858 -7.22099 TIMING: 2886600 CPU: 9187.41, 0.00315497/step Wall: 9187.41, 0.00315497/step, 1.85214 hours remaining, 241.332031 MB of memory in use. ENERGY: 2886600 4041.7799 20447.0053 14518.8993 230.4696 -202847.9798 2255.5167 0.0000 0.0000 51897.4247 -109456.8845 298.2552 -161354.3091 -109104.3093 299.2890 -144.8746 -114.4072 762089.3165 4.2408 4.2751 PRESSURE: 2886800 -348.45 -47.4221 -50.4022 -47.4226 -406.031 70.3682 -50.4021 70.3694 -65.6321 GPRESSURE: 2886800 -295.807 -0.33096 -62.315 -79.0211 -330.389 180.611 -30.3465 45.3548 -74.9966 PRESSAVG: 2886800 26.8955 -28.4038 -27.4521 -28.4038 -1.11486 0.472321 -27.4521 0.472275 -3.60881 GPRESSAVG: 2886800 26.9764 -28.5531 -25.9144 -27.976 -0.747871 2.40752 -29.9223 -1.59759 -3.81613 TIMING: 2886800 CPU: 9188.04, 0.00313331/step Wall: 9188.04, 0.00313331/step, 1.83925 hours remaining, 241.332031 MB of memory in use. ENERGY: 2886800 4070.7025 20303.1727 14502.1442 224.6039 -202866.9340 2262.7628 0.0000 0.0000 51928.5123 -109575.0355 298.4339 -161503.5478 -109226.3983 298.6945 -273.3710 -233.7306 762679.2510 7.3906 7.4708 PRESSURE: 2887000 160.518 76.6848 -72.7426 76.6853 217.881 -188.137 -72.7424 -188.136 285.685 GPRESSURE: 2887000 196.453 63.2102 -169.255 -88.1921 219.829 -127.949 -47.8484 -183.006 327.899 PRESSAVG: 2887000 18.6736 1.95703 -7.70976 1.95702 -29.0718 -13.5237 -7.70968 -13.5237 14.8412 GPRESSAVG: 2887000 19.0411 -0.490205 -9.54202 0.937604 -29.4797 -13.9949 -6.57959 -11.7922 14.6321 TIMING: 2887000 CPU: 9188.66, 0.0031299/step Wall: 9188.66, 0.0031299/step, 1.83708 hours remaining, 241.332031 MB of memory in use. ENERGY: 2887000 4007.3027 20412.2812 14458.5699 255.0305 -203313.1834 2378.2743 0.0000 0.0000 52096.0315 -109705.6934 299.3966 -161801.7249 -109346.5486 298.6169 221.3614 248.0601 760244.6280 1.4810 1.3979 PRESSURE: 2887200 -155.836 174.147 35.4568 174.148 -244.297 58.5559 35.4573 58.5561 -18.3223 GPRESSURE: 2887200 -132.642 44.9756 16.0201 211.099 -214.764 135.214 15.5069 -88.2907 -4.94664 PRESSAVG: 2887200 89.9815 -6.80319 -3.33626 -6.80323 -71.7933 -59.6956 -3.33635 -59.6957 -6.28379 GPRESSAVG: 2887200 89.7305 -6.20097 -2.80812 -5.82871 -71.8104 -59.1568 -4.69213 -58.6609 -5.95557 TIMING: 2887200 CPU: 9189.29, 0.00313852/step Wall: 9189.29, 0.00313852/step, 1.84196 hours remaining, 241.332031 MB of memory in use. ENERGY: 2887200 3917.3152 20623.5389 14500.5414 247.7181 -203478.1659 2380.1579 0.0000 0.0000 52012.6537 -109796.2406 298.9174 -161808.8943 -109437.1754 298.4687 -139.4852 -117.4508 761699.3603 3.9682 3.9882 PRESSURE: 2887400 -16.8119 -63.7598 -460.713 -63.7613 -27.2596 94.4655 -460.713 94.4653 -7.02045 GPRESSURE: 2887400 -51.758 -82.2069 -413.216 -105.205 48.4964 50.8709 -450.588 22.5411 35.5631 PRESSAVG: 2887400 -1.28098 -2.56864 -7.93187 -2.56862 -3.03364 11.702 -7.93189 11.7019 5.59939 GPRESSAVG: 2887400 -1.17827 -0.907223 -8.44532 -4.1286 -3.23781 12.328 -9.43103 8.93673 5.94161 TIMING: 2887400 CPU: 9189.92, 0.00314478/step Wall: 9189.92, 0.00314478/step, 1.84546 hours remaining, 241.332031 MB of memory in use. ENERGY: 2887400 4020.0940 20522.3495 14531.9517 217.8930 -203313.2872 2525.3699 0.0000 0.0000 51971.5510 -109524.0781 298.6812 -161495.6292 -109162.5596 299.0084 -17.0307 10.7672 762957.4226 0.4283 0.5085 PRESSURE: 2887600 30.5743 39.7787 -292.644 39.7788 -6.69848 51.542 -292.643 51.5423 108.076 GPRESSURE: 2887600 56.3109 -20.4853 -258.229 30.2283 33.529 83.3802 -147.197 49.5941 116.488 PRESSAVG: 2887600 -16.2367 -19.9029 -33.1275 -19.9029 -11.7473 -21.5343 -33.1275 -21.5343 -9.81029 GPRESSAVG: 2887600 -16.7188 -19.5019 -32.0717 -17.7677 -10.6947 -23.8354 -32.7514 -20.7164 -10.3971 TIMING: 2887600 CPU: 9190.55, 0.00314264/step Wall: 9190.55, 0.00314264/step, 1.84403 hours remaining, 241.332031 MB of memory in use. ENERGY: 2887600 3991.2380 20343.2754 14487.3384 269.0721 -203394.3146 2619.0237 0.0000 0.0000 52253.5461 -109430.8208 300.3018 -161684.3669 -109066.4906 298.7488 43.9838 68.7760 761936.7332 -12.5981 -12.6036 PRESSURE: 2887800 -6.4585 -12.5588 120.962 -12.5584 -297.247 27.0024 120.963 27.0015 -217.388 GPRESSURE: 2887800 -61.9026 7.15186 222.283 -35.8793 -147.008 84.7119 138.771 20.011 -230.365 PRESSAVG: 2887800 29.6689 -10.971 0.4969 -10.971 -48.2994 37.195 0.496857 37.195 13.393 GPRESSAVG: 2887800 29.9179 -10.1903 1.13038 -12.6329 -47.8422 40.0189 1.1004 37.601 13.4013 TIMING: 2887800 CPU: 9191.18, 0.00314114/step Wall: 9191.18, 0.00314114/step, 1.84298 hours remaining, 241.332031 MB of memory in use. ENERGY: 2887800 3969.5960 20363.6326 14536.0228 233.3489 -203540.7813 2908.2757 0.0000 0.0000 51849.9981 -109679.9072 297.9827 -161529.9053 -109323.4691 298.8319 -173.6978 -146.4255 762143.4701 -1.7458 -1.5077 PRESSURE: 2888000 127.139 -158.299 39.0684 -158.299 -276.46 -88.3101 39.068 -88.31 -294.779 GPRESSURE: 2888000 196.608 -153.702 95.61 -181.584 -277.885 -109.811 -55.2993 -74.0163 -280.637 PRESSAVG: 2888000 25.5492 -17.2676 33.8891 -17.2675 -11.1089 61.5334 33.8891 61.5333 13.7857 GPRESSAVG: 2888000 25.9368 -16.9057 34.03 -17.3699 -12.4868 61.2629 33.083 60.7318 14.843 TIMING: 2888000 CPU: 9191.81, 0.00313666/step Wall: 9191.81, 0.00313666/step, 1.84017 hours remaining, 241.332031 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: 2888000 3983.9594 20705.0210 14468.9637 224.2333 -203422.5683 2522.1337 0.0000 0.0000 51680.9547 -109837.3025 297.0112 -161518.2572 -109485.9653 298.5061 -148.0332 -120.6380 760579.2900 9.4087 9.4310 PRESSURE: 2888200 -290.644 -28.9729 -138.309 -28.9728 60.0661 25.4934 -138.309 25.4925 46.1746 GPRESSURE: 2888200 -199.013 71.8376 -111.724 -69.6535 83.9103 70.7119 -121.797 -162.478 42.3302 PRESSAVG: 2888200 8.23161 -17.1328 -12.1059 -17.1328 10.1582 66.2757 -12.1059 66.2757 -1.20849 GPRESSAVG: 2888200 8.44849 -17.6257 -12.1257 -16.6879 9.96074 64.6143 -10.6984 66.4711 -2.17291 TIMING: 2888200 CPU: 9192.43, 0.00313263/step Wall: 9192.43, 0.00313263/step, 1.83764 hours remaining, 241.332031 MB of memory in use. ENERGY: 2888200 3953.5065 20393.2545 14593.9977 258.6178 -203511.0086 2794.8099 0.0000 0.0000 51884.6255 -109632.1967 298.1817 -161516.8222 -109264.3926 298.2202 -61.4679 -24.2575 761897.6953 5.7271 5.4121 LDB: ============= START OF LOAD BALANCING ============== 9204.88 LDB: ============== END OF LOAD BALANCING =============== 9204.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9204.89 LDB: ============= START OF LOAD BALANCING ============== 9205.2 LDB: Largest compute 7043 load 0.034797 is 17.8% of average load 0.195343 LDB: Average compute 0.004378 is 2.2% of average load 0.195343 LDB: TIME 9205.21 LOAD: AVG 0.195343 MAX 0.219299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 9205.21 LOAD: AVG 0.195343 MAX 0.219299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 9205.21 LOAD: AVG 0.195343 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 9205.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9205.21 PRESSURE: 2888400 -79.7539 2.42966 28.5226 2.42897 -99.3946 50.8375 28.5228 50.8363 26.811 GPRESSURE: 2888400 -69.4248 -18.8574 63.7466 -29.8979 -72.0016 110.036 107.965 188.76 72.5426 PRESSAVG: 2888400 20.9133 -20.0336 19.2695 -20.0336 -7.0756 30.4941 19.2696 30.494 -14.1786 GPRESSAVG: 2888400 20.2195 -20.1843 18.6474 -18.3546 -6.46065 31.4935 19.82 29.3732 -13.7531 TIMING: 2888400 CPU: 9193.08, 0.00322956/step Wall: 9193.08, 0.00322956/step, 1.89432 hours remaining, 240.808594 MB of memory in use. ENERGY: 2888400 3963.1438 20425.1278 14581.0313 240.0145 -203401.3872 2396.4930 0.0000 0.0000 52015.6100 -109779.9669 298.9344 -161795.5768 -109429.0773 298.6759 -50.7792 -22.9613 761299.1267 -0.1136 0.0019 PRESSURE: 2888600 -86.415 -141.521 376.084 -141.522 -382.682 224.497 376.083 224.496 133.571 GPRESSURE: 2888600 -131.455 -186.681 324.435 -196.2 -344.993 204.632 311.518 154.806 205.673 PRESSAVG: 2888600 60.7414 -39.8443 2.25645 -39.8444 2.14494 48.8611 2.25653 48.861 18.0313 GPRESSAVG: 2888600 59.8788 -41.3621 0.602227 -40.2841 0.992473 47.8591 0.852123 49.9398 19.6649 TIMING: 2888600 CPU: 9193.71, 0.00314268/step Wall: 9193.71, 0.00314269/step, 1.84318 hours remaining, 240.808594 MB of memory in use. ENERGY: 2888600 3977.2376 20552.9660 14546.3483 242.9796 -203200.6403 2008.4927 0.0000 0.0000 52039.5025 -109833.1137 299.0717 -161872.6162 -109468.4907 298.4585 -111.8418 -90.2584 760304.9212 26.9726 26.8454 PRESSURE: 2888800 -52.9217 -236.175 62.84 -236.174 69.3108 227.502 62.8398 227.502 265.564 GPRESSURE: 2888800 41.5827 -63.4856 38.9773 -47.8771 74.6162 173.598 -63.6535 252.782 256.146 PRESSAVG: 2888800 45.4506 -17.7803 -8.62204 -17.7803 29.9518 -47.4874 -8.622 -47.4875 -10.5979 GPRESSAVG: 2888800 45.5926 -16.676 -6.99809 -15.9998 31.9191 -45.4875 -8.95912 -47.6494 -12.5636 TIMING: 2888800 CPU: 9194.34, 0.0031458/step Wall: 9194.34, 0.0031458/step, 1.84483 hours remaining, 240.808594 MB of memory in use. ENERGY: 2888800 3976.8687 20622.5965 14484.5395 263.3218 -203918.9367 2757.5393 0.0000 0.0000 51830.3172 -109983.7536 297.8695 -161814.0708 -109627.4845 298.0174 93.9845 124.1149 758986.8744 21.6015 21.6494 PRESSURE: 2889000 233.564 -26.7247 6.12622 -26.7248 -385.092 86.882 6.12582 86.8826 -6.69778 GPRESSURE: 2889000 250.937 -144.319 25.1328 -114.121 -261.596 174.356 -39.4541 83.9969 -52.172 PRESSAVG: 2889000 12.6646 -13.8259 -21.9518 -13.8259 -4.94734 -35.4178 -21.9518 -35.4177 -5.25441 GPRESSAVG: 2889000 12.3866 -14.3438 -21.4801 -15.9769 -5.00217 -36.4969 -22.5202 -33.965 -4.47913 TIMING: 2889000 CPU: 9194.97, 0.00315368/step Wall: 9194.97, 0.00315368/step, 1.84928 hours remaining, 240.808594 MB of memory in use. ENERGY: 2889000 3977.6952 20561.4848 14507.7526 263.7626 -203578.2482 2459.4979 0.0000 0.0000 51682.3816 -110125.6735 297.0194 -161808.0551 -109769.0604 297.9484 -52.7420 -20.9436 758775.5507 0.8209 0.9684 PRESSURE: 2889200 -49.4405 90.0993 -21.7362 90.1 75.5952 23.8332 -21.7363 23.8328 253.108 GPRESSURE: 2889200 -41.8119 -27.2337 -60.1596 92.519 204.839 -34.4373 44.9219 60.54 210.42 PRESSAVG: 2889200 68.8066 -41.5958 -34.4049 -41.5958 -53.8191 -2.69582 -34.4049 -2.69576 16.3588 GPRESSAVG: 2889200 70.3501 -41.7462 -35.8656 -41.582 -53.2005 -3.38764 -32.5055 -2.91173 14.3427 TIMING: 2889200 CPU: 9195.59, 0.00313335/step Wall: 9195.59, 0.00313335/step, 1.83719 hours remaining, 240.808594 MB of memory in use. ENERGY: 2889200 3952.5223 20446.5020 14581.4091 254.0109 -203613.0851 2682.7551 0.0000 0.0000 51872.7214 -109823.1642 298.1132 -161695.8857 -109466.1043 298.2619 93.0877 124.4822 758435.5784 10.4488 10.4974 PRESSURE: 2889400 455.656 -14.4361 -53.9611 -14.4357 102.283 63.8746 -53.961 63.8748 -126.457 GPRESSURE: 2889400 504.972 -38.3747 -56.3661 -16.1425 70.9463 61.5317 -105.299 179.11 -54.7298 PRESSAVG: 2889400 14.9761 -30.9534 10.2407 -30.9534 -42.2622 33.327 10.2407 33.3269 4.27734 GPRESSAVG: 2889400 14.0019 -30.2048 10.7233 -32.2648 -42.7042 33.4683 9.96254 33.0981 5.96802 TIMING: 2889400 CPU: 9196.22, 0.003138/step Wall: 9196.22, 0.003138/step, 1.83974 hours remaining, 240.808594 MB of memory in use. ENERGY: 2889400 3924.9826 20583.4502 14554.7281 248.5919 -203784.6054 2687.5580 0.0000 0.0000 52113.1264 -109672.1682 299.4949 -161785.2946 -109324.6119 298.4570 143.8272 173.7295 759546.3499 -7.6696 -7.5781 PRESSURE: 2889600 -6.57628 -180.868 -115.957 -180.868 -300.477 45.5376 -115.957 45.5366 307.77 GPRESSURE: 2889600 62.249 -62.7075 -170.19 -43.4787 -213.281 55.7951 -57.5056 112.883 239.857 PRESSAVG: 2889600 41.7149 -33.1459 -9.26675 -33.146 -34.4581 45.7669 -9.26676 45.7668 -17.8288 GPRESSAVG: 2889600 42.2531 -32.5597 -8.17639 -31.3642 -35.0892 45.2843 -10.5035 43.5335 -18.4181 TIMING: 2889600 CPU: 9196.85, 0.0031403/step Wall: 9196.85, 0.0031403/step, 1.84091 hours remaining, 240.808594 MB of memory in use. ENERGY: 2889600 3875.8544 20514.0265 14626.2518 250.1531 -203401.1563 2441.8477 0.0000 0.0000 51997.4206 -109695.6021 298.8299 -161693.0228 -109339.9041 298.5625 0.2388 29.6081 760706.7107 -3.5240 -3.7514 PRESSURE: 2889800 -100.395 118.467 12.5045 118.466 9.39667 145.694 12.5041 145.695 -115.291 GPRESSURE: 2889800 -80.6863 58.5838 77.1318 5.61842 27.5265 125.172 9.61349 173.575 -60.6248 PRESSAVG: 2889800 -24.6565 21.4361 18.3432 21.4361 6.50241 -34.2635 18.3431 -34.2636 1.38455 GPRESSAVG: 2889800 -25.76 20.7058 18.2964 19.6284 7.05861 -35.5482 18.0479 -32.604 2.53109 TIMING: 2889800 CPU: 9197.47, 0.00311372/step Wall: 9197.47, 0.00311372/step, 1.82516 hours remaining, 240.808594 MB of memory in use. ENERGY: 2889800 3924.2165 20453.0438 14526.6173 260.0921 -203668.2977 2625.7306 0.0000 0.0000 52144.7534 -109733.8440 299.6766 -161878.5974 -109375.8901 298.9975 -68.7631 -37.9282 761653.7990 -5.5898 -5.3901 PRESSURE: 2890000 185.489 40.349 20.6773 40.3495 -56.5345 9.51853 20.6764 9.51813 289.462 GPRESSURE: 2890000 301.218 19.9536 7.05867 -29.1021 11.332 50.0166 94.8593 -66.9647 210.251 PRESSAVG: 2890000 45.4341 -30.846 -0.477191 -30.846 -17.5425 -26.8937 -0.47715 -26.8936 3.91463 GPRESSAVG: 2890000 45.2006 -31.9088 -1.2749 -29.0489 -15.72 -24.4449 -0.81128 -28.3243 2.14522 TIMING: 2890000 CPU: 9198.1, 0.00312463/step Wall: 9198.1, 0.00312463/step, 1.83138 hours remaining, 240.808594 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: 2890000 4007.2738 20390.9830 14626.8963 241.0098 -203560.5033 2754.3343 0.0000 0.0000 51900.7740 -109639.2321 298.2745 -161540.0061 -109275.9444 298.5774 139.4722 174.2670 761798.6241 10.6021 10.5419 PRESSURE: 2890200 150.305 -193.813 -70.9298 -193.812 55.3495 27.6762 -70.93 27.6772 -333.473 GPRESSURE: 2890200 182.675 -89.2761 -121.017 -271.073 9.6297 66.0355 -101.236 -185.978 -231.537 PRESSAVG: 2890200 46.4161 -6.34441 -91.9201 -6.34433 -20.8432 -43.8765 -91.9201 -43.8765 -0.584536 GPRESSAVG: 2890200 46.6721 -4.66402 -91.1834 -7.89819 -22.182 -46.2917 -92.1099 -42.8089 0.923726 TIMING: 2890200 CPU: 9198.72, 0.00314295/step Wall: 9198.72, 0.00314295/step, 1.84194 hours remaining, 240.808594 MB of memory in use. ENERGY: 2890200 4049.5087 20318.0358 14551.9318 236.5557 -203352.4084 2607.3617 0.0000 0.0000 51839.0029 -109750.0117 297.9195 -161589.0146 -109390.5852 298.7396 -42.6063 -13.0774 762280.2723 8.3295 8.4713 PRESSURE: 2890400 -358.843 117.547 -196.188 117.548 -69.1318 -44.1964 -196.187 -44.1958 -180.98 GPRESSURE: 2890400 -373.257 28.8648 -205.003 149.28 -66.6921 -30.3957 -117.076 -51.7941 -100.449 PRESSAVG: 2890400 28.4063 -0.231364 -25.2539 -0.23139 11.6524 -9.3843 -25.2539 -9.38433 7.60008 GPRESSAVG: 2890400 28.8799 1.07614 -26.1899 0.720243 11.1412 -7.16009 -25.118 -8.82561 7.53464 TIMING: 2890400 CPU: 9199.36, 0.00316115/step Wall: 9199.36, 0.00316115/step, 1.85243 hours remaining, 240.808594 MB of memory in use. ENERGY: 2890400 4007.4160 20465.4074 14578.6448 226.3615 -203560.8197 2598.5821 0.0000 0.0000 51833.9712 -109850.4367 297.8905 -161684.4079 -109489.7864 298.1370 -202.9849 -180.1326 761053.3277 15.8862 15.8519 PRESSURE: 2890600 264.905 -117.317 332.028 -117.317 -161.4 -162.139 332.027 -162.138 -56.4417 GPRESSURE: 2890600 287.49 -24.4426 331.248 -323.438 -82.5439 -138.568 345.751 -146.75 -72.5006 PRESSAVG: 2890600 -45.0521 6.1608 -16.9126 6.16084 86.346 -68.1909 -16.9126 -68.1909 7.84101 GPRESSAVG: 2890600 -43.7676 3.27495 -17.5224 7.06649 86.6012 -68.0641 -16.1135 -69.3316 6.37647 TIMING: 2890600 CPU: 9199.98, 0.00312267/step Wall: 9199.98, 0.00312267/step, 1.82971 hours remaining, 240.808594 MB of memory in use. ENERGY: 2890600 3960.9864 20490.6816 14578.8822 257.4181 -203698.9489 2691.4891 0.0000 0.0000 51734.0486 -109985.4428 297.3163 -161719.4914 -109625.1591 298.4221 15.6877 44.1486 760613.8908 16.3783 16.4034 PRESSURE: 2890800 41.6613 60.0574 -35.4405 60.057 -112.512 -88.2644 -35.4398 -88.2647 81.234 GPRESSURE: 2890800 25.6027 -80.0034 -75.2123 104.896 -104.14 -130.305 -98.6247 -71.3862 165.347 PRESSAVG: 2890800 -48.9771 -15.0963 -17.8299 -15.0963 23.6805 -33.8036 -17.83 -33.8036 -9.07111 GPRESSAVG: 2890800 -50.1071 -15.637 -15.564 -16.7868 23.9371 -34.8081 -18.8193 -34.4593 -8.5191 TIMING: 2890800 CPU: 9200.61, 0.00312297/step Wall: 9200.61, 0.00312297/step, 1.82971 hours remaining, 240.808594 MB of memory in use. ENERGY: 2890800 3933.5041 20372.5004 14590.4053 251.1128 -203339.9310 2348.0569 0.0000 0.0000 51819.8991 -110024.4526 297.8097 -161844.3516 -109667.3368 298.2463 3.4613 28.9363 760208.5139 -11.4559 -11.5630 PRESSURE: 2891000 161.961 4.57384 -302.025 4.57462 -384.763 226.507 -302.026 226.508 -10.9544 GPRESSURE: 2891000 181.178 -125.164 -190.662 114.126 -311.579 265.895 -268.792 36.3635 2.18135 PRESSAVG: 2891000 -47.7362 -41.092 -19.3072 -41.092 10.711 -19.4039 -19.3072 -19.4039 15.724 GPRESSAVG: 2891000 -48.2596 -41.4267 -19.8009 -38.6177 10.6472 -18.0615 -18.4891 -19.0373 16.3362 TIMING: 2891000 CPU: 9201.23, 0.00313419/step Wall: 9201.23, 0.00313419/step, 1.83612 hours remaining, 240.808594 MB of memory in use. ENERGY: 2891000 3980.9487 20512.8942 14560.0948 255.2201 -203711.8068 2553.0714 0.0000 0.0000 51661.3179 -110188.2597 296.8983 -161849.5776 -109825.7008 297.6844 -77.9189 -42.7398 760530.2606 -7.1004 -7.0921 PRESSURE: 2891200 107.221 119.067 138.81 119.067 -137.21 -249.138 138.811 -249.138 285.502 GPRESSURE: 2891200 110.593 192.634 -80.4537 108.31 -23.8497 -222.293 116.028 -198.78 238.242 PRESSAVG: 2891200 0.41049 -25.9943 -68.2466 -25.9943 -36.6044 -32.2219 -68.2465 -32.2218 7.8965 GPRESSAVG: 2891200 1.43232 -25.6821 -71.1849 -26.9406 -36.7543 -34.2536 -67.3566 -30.9831 7.13084 TIMING: 2891200 CPU: 9201.86, 0.00313101/step Wall: 9201.86, 0.00313101/step, 1.83407 hours remaining, 240.808594 MB of memory in use. ENERGY: 2891200 3932.6793 20291.9417 14588.2150 240.2371 -203480.0644 2371.1288 0.0000 0.0000 51840.3701 -110215.4924 297.9273 -162055.8625 -109867.5044 297.1022 85.1711 108.3287 759012.5031 -9.4325 -9.3971 PRESSURE: 2891400 70.5599 0.620506 18.8221 0.620747 -200.046 52.556 18.8222 52.556 -138.927 GPRESSURE: 2891400 95.2319 0.909851 15.5452 38.1754 -89.5443 32.4634 30.3122 87.643 -156.346 PRESSAVG: 2891400 -35.3098 -55.817 -28.2293 -55.8171 43.9994 -51.3208 -28.2293 -51.3209 -5.02012 GPRESSAVG: 2891400 -37.0019 -55.7909 -24.6957 -55.052 45.5985 -50.6473 -30.8256 -50.3901 -4.78328 TIMING: 2891400 CPU: 9202.49, 0.00313216/step Wall: 9202.49, 0.00313216/step, 1.83458 hours remaining, 240.808594 MB of memory in use. ENERGY: 2891400 3949.7969 20324.8040 14594.7428 245.9272 -203675.7926 2631.9194 0.0000 0.0000 51965.4798 -109963.1225 298.6463 -161928.6023 -109598.1537 297.6654 -89.4709 -50.2195 761009.8778 1.2232 1.2711 PRESSURE: 2891600 42.747 -33.1115 33.4419 -33.1116 100.705 100.312 33.4427 100.312 38.4889 GPRESSURE: 2891600 108.942 -47.7019 6.40133 23.7852 121.47 68.3246 58.937 62.6284 52.1169 PRESSAVG: 2891600 -0.769165 12.2886 -62.6175 12.2886 22.9266 -54.1611 -62.6174 -54.161 -6.40006 GPRESSAVG: 2891600 0.822924 13.3155 -64.9198 11.3928 22.0246 -53.3562 -60.5152 -57.0223 -7.55001 TIMING: 2891600 CPU: 9203.11, 0.00312457/step Wall: 9203.11, 0.00312456/step, 1.82995 hours remaining, 240.808594 MB of memory in use. ENERGY: 2891600 3875.8589 20305.3644 14608.0883 258.5941 -203867.2952 2930.0645 0.0000 0.0000 51890.9907 -109998.3343 298.2182 -161889.3250 -109624.2293 297.8543 60.6471 94.1764 760051.5312 5.2525 5.0992 PRESSURE: 2891800 -146.407 -226.317 5.59857 -226.317 -174.183 -153.57 5.59846 -153.57 -318.803 GPRESSURE: 2891800 -124.945 -237.217 57.8419 -192.263 -182.171 -30.4263 61.4352 -151.142 -227.634 PRESSAVG: 2891800 -5.76575 -41.4765 -18.7378 -41.4765 38.895 -49.067 -18.7378 -49.0669 -5.28154 GPRESSAVG: 2891800 -6.83419 -43.375 -16.6986 -40.4023 38.4784 -48.3998 -21.0575 -47.8447 -4.02486 TIMING: 2891800 CPU: 9203.74, 0.00312811/step Wall: 9203.74, 0.00312811/step, 1.83186 hours remaining, 240.808594 MB of memory in use. ENERGY: 2891800 3981.2830 20471.4992 14551.4486 238.3623 -203202.9176 2264.4499 0.0000 0.0000 51961.5712 -109734.3033 298.6239 -161695.8745 -109372.4032 298.2634 -213.1310 -178.2503 759695.4810 9.2826 9.2064 PRESSURE: 2892000 37.4269 -95.4853 7.15827 -95.486 -276.526 -67.6602 7.15873 -67.6605 300.745 GPRESSURE: 2892000 41.2305 -2.9084 -45.322 -77.4341 -216.454 -43.9542 99.9624 -78.818 308.553 PRESSAVG: 2892000 40.1751 -25.7886 -3.30331 -25.7887 -36.3087 -19.1575 -3.30331 -19.1575 31.3681 GPRESSAVG: 2892000 40.1765 -26.3153 -4.32699 -25.9093 -35.3991 -20.2343 -0.707226 -18.6797 30.3833 TIMING: 2892000 CPU: 9204.36, 0.00312431/step Wall: 9204.36, 0.00312431/step, 1.82946 hours remaining, 240.808594 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: 2892000 3958.1146 20399.5239 14526.8554 258.8007 -203436.1584 2571.2173 0.0000 0.0000 52118.2799 -109603.3665 299.5245 -161721.6464 -109234.4593 298.9039 20.5486 44.4432 761606.0051 11.7448 11.7202 PRESSURE: 2892200 8.4532 153.396 252.102 153.395 204.588 -151.57 252.103 -151.571 905.974 GPRESSURE: 2892200 130.759 90.6788 290.659 187.93 228.251 -159.792 40.7832 -147.734 830.997 PRESSAVG: 2892200 8.07621 14.7565 -39.0969 14.7565 -1.04272 -22.0654 -39.097 -22.0654 -5.58137 GPRESSAVG: 2892200 8.08845 16.4407 -40.308 12.3325 -2.35879 -21.4637 -40.2342 -22.624 -4.59784 TIMING: 2892200 CPU: 9204.99, 0.00314048/step Wall: 9204.99, 0.00314048/step, 1.83875 hours remaining, 240.808594 MB of memory in use. ENERGY: 2892200 4022.1824 20526.7380 14567.4401 252.0094 -203564.7132 2671.5544 0.0000 0.0000 51842.7150 -109682.0738 297.9408 -161524.7888 -109318.6099 298.6285 373.0052 396.6690 760865.4642 0.4840 0.3773 LDB: ============= START OF LOAD BALANCING ============== 9217.44 LDB: ============== END OF LOAD BALANCING =============== 9217.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9217.44 LDB: ============= START OF LOAD BALANCING ============== 9217.75 LDB: Largest compute 7056 load 0.035709 is 18.3% of average load 0.195280 LDB: Average compute 0.004391 is 2.2% of average load 0.195280 LDB: TIME 9217.76 LOAD: AVG 0.19528 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 9217.76 LOAD: AVG 0.19528 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.254 MB LDB: TIME 9217.76 LOAD: AVG 0.19528 MAX 0.21521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.254 MB LDB: ============== END OF LOAD BALANCING =============== 9217.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9217.77 PRESSURE: 2892400 -16.1668 -267.62 113.692 -267.62 -403.516 61.3472 113.692 61.3477 -176.943 GPRESSURE: 2892400 -53.1324 -236.673 38.9039 -236.106 -398.495 92.8672 79.5851 63.389 -44.5688 PRESSAVG: 2892400 22.0766 13.7177 12.8653 13.7177 -34.2637 -68.6644 12.8654 -68.6644 22.1838 GPRESSAVG: 2892400 21.109 13.0126 12.0857 16.2311 -32.5983 -69.0452 12.6611 -67.9431 21.3825 TIMING: 2892400 CPU: 9205.63, 0.00320181/step Wall: 9205.63, 0.00320181/step, 1.87448 hours remaining, 240.859375 MB of memory in use. ENERGY: 2892400 3972.1035 20564.7574 14549.1163 265.6936 -203390.4160 2533.2369 0.0000 0.0000 51847.6269 -109657.8815 297.9690 -161505.5084 -109309.1159 298.6655 -198.8755 -165.3986 762040.3090 3.3322 3.2977 PRESSURE: 2892600 15.7258 123.79 70.7641 123.791 -53.1648 -144.592 70.7629 -144.592 -224.122 GPRESSURE: 2892600 76.4884 78.2952 92.5483 99.0986 -70.8128 -74.7489 44.0107 -133.645 -169.685 PRESSAVG: 2892600 4.80458 14.2336 -5.52444 14.2336 1.39022 -50.5624 -5.52449 -50.5623 -11.0783 GPRESSAVG: 2892600 6.35149 13.3305 -4.89919 15.0493 0.104464 -52.3538 -6.27816 -50.7356 -10.4945 TIMING: 2892600 CPU: 9206.26, 0.00314431/step Wall: 9206.26, 0.00314431/step, 1.84064 hours remaining, 241.062500 MB of memory in use. ENERGY: 2892600 3947.3411 20556.7753 14597.9017 239.0490 -203347.5249 2328.4388 0.0000 0.0000 52099.0835 -109578.9353 299.4141 -161678.0188 -109210.3686 299.1610 -87.1869 -54.6698 760673.4954 -1.6278 -1.3462 PRESSURE: 2892800 73.9267 -16.3064 285.401 -16.3067 -23.6135 -40.6357 285.401 -40.6363 51.1197 GPRESSURE: 2892800 141.407 44.6915 106.451 82.3342 -75.0205 -75.9454 197.81 -105.834 137.858 PRESSAVG: 2892800 9.44225 70.5667 -7.30902 70.5668 -19.7182 -19.5431 -7.30911 -19.5431 -36.7635 GPRESSAVG: 2892800 9.24487 70.5964 -8.12449 69.0836 -19.6596 -18.8372 -8.36295 -20.1908 -36.1533 TIMING: 2892800 CPU: 9206.89, 0.00314357/step Wall: 9206.89, 0.00314357/step, 1.84004 hours remaining, 241.062500 MB of memory in use. ENERGY: 2892800 4059.0881 20484.6757 14546.3464 261.1642 -203588.1665 2603.5410 0.0000 0.0000 52040.1661 -109593.1850 299.0755 -161633.3510 -109225.1898 298.8441 33.8110 68.0816 759602.6071 -15.6798 -15.5227 PRESSURE: 2893000 30.7328 -238.51 73.1055 -238.509 132.181 -185.168 73.1064 -185.168 -90.5433 GPRESSURE: 2893000 69.0929 -191.801 108.124 -218.545 158.061 -127.104 62.1043 -243.235 -85.6677 PRESSAVG: 2893000 32.013 -4.89756 12.7637 -4.89755 -19.2089 -14.2928 12.7638 -14.2928 0.115596 GPRESSAVG: 2893000 31.337 -3.40067 14.2883 -5.36115 -19.0214 -11.8986 14.3199 -14.9513 0.490574 TIMING: 2893000 CPU: 9207.51, 0.00312449/step Wall: 9207.51, 0.00312449/step, 1.82869 hours remaining, 241.062500 MB of memory in use. ENERGY: 2893000 3986.7078 20663.5556 14600.1780 249.2758 -203476.3594 2500.0118 0.0000 0.0000 52060.9309 -109415.6993 299.1949 -161476.6302 -109062.2026 299.6943 24.1235 47.1621 759343.4771 4.3065 4.2687 PRESSURE: 2893200 255.824 -29.4723 36.3683 -29.4722 81.3642 -68.5805 36.3682 -68.5808 57.3085 GPRESSURE: 2893200 299.351 -70.5353 7.95333 -88.3552 164.222 -69.815 -84.1062 90.9782 31.1452 PRESSAVG: 2893200 29.5397 -27.2968 12.5715 -27.2968 -5.65346 -20.3455 12.5715 -20.3455 9.9263 GPRESSAVG: 2893200 30.3206 -29.6009 12.1297 -26.6583 -5.52515 -21.9296 12.8454 -18.7094 8.92828 TIMING: 2893200 CPU: 9208.13, 0.0031156/step Wall: 9208.13, 0.0031156/step, 1.82332 hours remaining, 241.062500 MB of memory in use. ENERGY: 2893200 3997.5497 20576.6090 14622.0118 244.3921 -203550.8629 2530.8374 0.0000 0.0000 52171.3502 -109408.1128 299.8295 -161579.4629 -109045.7105 300.0656 131.4990 164.9061 758790.5609 11.2708 11.2412 PRESSURE: 2893400 -7.81474 48.6881 -265.241 48.6874 45.1987 -264.653 -265.241 -264.652 -86.7875 GPRESSURE: 2893400 -53.2899 150.995 -159.948 23.3979 87.9095 -290.542 -252.713 -321.44 -13.5201 PRESSAVG: 2893400 59.8448 -0.690591 -12.9202 -0.690605 -47.2371 -50.4317 -12.9201 -50.4317 7.67634 GPRESSAVG: 2893400 59.6059 2.61736 -13.3745 -1.82655 -48.1539 -50.9641 -13.9944 -49.9418 8.01286 TIMING: 2893400 CPU: 9208.76, 0.00312126/step Wall: 9208.76, 0.00312126/step, 1.82646 hours remaining, 241.062500 MB of memory in use. ENERGY: 2893400 3932.9424 20562.1434 14481.6541 249.6394 -203350.2270 2702.8050 0.0000 0.0000 52135.4295 -109285.6133 299.6230 -161421.0428 -108921.4024 299.5838 -16.4678 7.0332 760018.9228 6.7614 6.4883 PRESSURE: 2893600 36.0054 124.691 58.1703 124.692 -100.898 223.796 58.1703 223.796 -206.314 GPRESSURE: 2893600 137.948 21.8979 144.511 313.947 -106.355 240.638 194.815 192.843 -221.432 PRESSAVG: 2893600 23.3528 -28.076 -46.9445 -28.076 11.8436 -64.5022 -46.9444 -64.5021 12.1798 GPRESSAVG: 2893600 23.3823 -29.4831 -44.6083 -25.898 12.3959 -63.4218 -45.1265 -67.0328 11.616 TIMING: 2893600 CPU: 9209.38, 0.00311688/step Wall: 9209.38, 0.00311688/step, 1.82372 hours remaining, 241.062500 MB of memory in use. ENERGY: 2893600 3987.6272 20679.4960 14584.3826 242.8696 -203105.0513 2339.3166 0.0000 0.0000 52088.0770 -109183.2823 299.3509 -161271.3593 -108815.7054 299.9411 -90.4020 -63.2798 762106.2139 15.7921 15.7981 PRESSURE: 2893800 -94.5604 13.1448 12.0017 13.1451 87.4461 -174.553 12.0028 -174.553 -158.557 GPRESSURE: 2893800 -105.73 94.9216 44.6617 39.4037 100.096 -152.113 -7.05948 -161.529 -87.7203 PRESSAVG: 2893800 13.4435 -10.7021 -22.1501 -10.7021 -52.7607 29.6426 -22.15 29.6425 -10.3421 GPRESSAVG: 2893800 12.085 -9.32461 -22.7211 -10.8232 -52.8363 30.1042 -23.0978 29.3979 -8.81294 TIMING: 2893800 CPU: 9210.01, 0.00311956/step Wall: 9210.01, 0.00311956/step, 1.82511 hours remaining, 241.062500 MB of memory in use. ENERGY: 2893800 4104.7603 20433.2446 14635.1883 240.2980 -202752.5725 2176.3259 0.0000 0.0000 52037.5779 -109125.1774 299.0607 -161162.7553 -108765.3474 299.1302 -55.2239 -31.1182 760446.1878 -16.5531 -16.5214 PRESSURE: 2894000 71.4946 -95.3798 -104.591 -95.3795 -103.349 164.417 -104.59 164.417 -112.284 GPRESSURE: 2894000 103.6 -45.7741 -47.9022 -18.6761 -94.2341 131.689 -131.127 197.075 -87.4475 PRESSAVG: 2894000 45.5307 51.813 -18.016 51.8131 -35.7226 -27.9755 -18.016 -27.9755 3.1708 GPRESSAVG: 2894000 46.5326 49.6849 -18.0612 49.887 -36.5088 -27.3416 -19.1024 -26.9137 2.67709 TIMING: 2894000 CPU: 9210.63, 0.0031305/step Wall: 9210.63, 0.0031305/step, 1.83134 hours remaining, 241.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2894000 4005.8884 20428.2582 14546.0145 250.0193 -202677.7053 2021.1565 0.0000 0.0000 52177.9963 -109248.3721 299.8677 -161426.3683 -108888.5343 299.5202 -48.0462 -26.0271 759332.7970 4.3263 4.2336 PRESSURE: 2894200 -17.307 -25.5939 -92.9168 -25.5934 15.306 -140.072 -92.9173 -140.073 112.471 GPRESSURE: 2894200 -70.315 -39.6063 -90.8749 109.417 110.182 -258.564 -23.2328 -160.988 157.007 PRESSAVG: 2894200 36.459 28.0773 -26.9805 28.0773 -53.5528 -64.1804 -26.9805 -64.1803 -2.7738 GPRESSAVG: 2894200 38.3503 29.0432 -26.6922 28.7518 -54.7637 -65.801 -26.151 -65.1533 -3.59083 TIMING: 2894200 CPU: 9211.26, 0.00311312/step Wall: 9211.26, 0.00311312/step, 1.821 hours remaining, 241.062500 MB of memory in use. ENERGY: 2894200 3981.7055 20464.6191 14502.8379 245.6924 -202899.6814 2280.2336 0.0000 0.0000 52063.5653 -109361.0277 299.2100 -161424.5930 -108985.7932 299.3798 36.8234 65.6246 760751.1359 -6.6225 -6.6681 PRESSURE: 2894400 -12.9292 170.326 202.68 170.326 170.971 -73.3586 202.679 -73.3585 137.719 GPRESSURE: 2894400 -11.4408 90.5507 283.995 126.803 201.693 -47.1915 124.007 15.774 197.576 PRESSAVG: 2894400 17.9854 32.5742 -33.2786 32.5742 1.04546 5.19728 -33.2786 5.19736 -19.3215 GPRESSAVG: 2894400 16.081 29.7859 -36.0612 32.7042 2.22863 6.13586 -29.6054 5.65694 -18.4147 TIMING: 2894400 CPU: 9211.88, 0.00311334/step Wall: 9211.88, 0.00311334/step, 1.82096 hours remaining, 241.062500 MB of memory in use. ENERGY: 2894400 3985.2288 20605.6706 14511.2247 237.1194 -203570.5889 2731.7378 0.0000 0.0000 52190.8407 -109308.7669 299.9415 -161499.6076 -108953.4632 299.2763 98.5870 129.2761 760015.1852 -0.0969 -0.0350 PRESSURE: 2894600 39.6969 -233.507 -33.21 -233.506 52.9519 -66.8618 -33.21 -66.8615 91.9995 GPRESSURE: 2894600 147.309 -292.405 -60.7594 -300.05 64.7931 -2.57916 -93.8865 -105.422 64.7556 PRESSAVG: 2894600 -1.95291 34.0977 6.36746 34.0976 12.7853 -9.61063 6.36748 -9.61072 32.2096 GPRESSAVG: 2894600 -1.15465 35.3025 8.10616 33.5642 13.098 -8.92671 3.80299 -9.67102 30.9144 TIMING: 2894600 CPU: 9212.5, 0.00310018/step Wall: 9212.5, 0.00310018/step, 1.81309 hours remaining, 241.062500 MB of memory in use. ENERGY: 2894600 3945.8100 20397.5499 14548.9626 260.0824 -203210.5494 2588.7548 0.0000 0.0000 52135.5265 -109333.8632 299.6236 -161469.3897 -108970.7397 299.6577 61.5494 92.2859 759009.0838 14.3473 14.2859 PRESSURE: 2894800 -101.752 -116.289 74.4206 -116.29 -276.494 48.2912 74.4204 48.2912 358.605 GPRESSURE: 2894800 -105.83 -59.2967 225.935 -187.686 -132.367 -16.007 61.511 39.6795 311.978 PRESSAVG: 2894800 20.6172 -7.51363 -2.3249 -7.51365 -17.3487 -35.4229 -2.3249 -35.4229 -31.3873 GPRESSAVG: 2894800 20.7406 -7.17525 -1.6254 -7.82328 -17.693 -35.7483 -3.6784 -36.1808 -31.1734 TIMING: 2894800 CPU: 9213.12, 0.00312693/step Wall: 9213.12, 0.00312693/step, 1.82856 hours remaining, 241.062500 MB of memory in use. ENERGY: 2894800 3980.1369 20513.9476 14512.7363 249.6970 -203483.3698 2743.6783 0.0000 0.0000 52335.9239 -109147.2496 300.7753 -161483.1736 -108778.7736 299.4405 -6.5470 24.5937 760180.5510 -9.3729 -9.3753 PRESSURE: 2895000 -153.396 4.32845 201.974 4.32964 -145.211 -402.88 201.975 -402.881 -283.039 GPRESSURE: 2895000 -127.628 103.395 175.866 -65.2705 -139.665 -416.111 345.341 -405.06 -199.441 PRESSAVG: 2895000 46.3731 -35.7302 4.61007 -35.7302 -1.4712 -72.5828 4.61008 -72.5828 1.9558 GPRESSAVG: 2895000 47.0453 -35.8887 3.93812 -36.647 -2.03914 -73.6912 6.59826 -71.5557 2.22549 TIMING: 2895000 CPU: 9213.75, 0.00314056/step Wall: 9213.75, 0.00314056/step, 1.83636 hours remaining, 241.062500 MB of memory in use. ENERGY: 2895000 4028.5549 20389.7680 14543.4298 242.6233 -202601.2141 1939.5925 0.0000 0.0000 52156.5439 -109300.7017 299.7444 -161457.2456 -108930.4630 300.1446 -193.8819 -155.5783 761621.0792 15.6192 15.7439 PRESSURE: 2895200 78.5687 -55.932 -275.687 -55.9317 -224.14 -63.3972 -275.688 -63.3978 65.6134 GPRESSURE: 2895200 125.913 51.1745 -236.605 -169.555 -175.881 -128.392 -366.825 -106.701 39.9658 PRESSAVG: 2895200 -3.55665 4.40862 -40.8014 4.40859 8.5876 -25.9673 -40.8015 -25.9673 -32.0621 GPRESSAVG: 2895200 -5.53001 6.40213 -39.9654 3.34355 8.98973 -25.5137 -42.1695 -24.9898 -30.8437 TIMING: 2895200 CPU: 9214.38, 0.00313229/step Wall: 9214.38, 0.00313229/step, 1.83134 hours remaining, 241.062500 MB of memory in use. ENERGY: 2895200 3976.0630 20485.7227 14604.6827 244.1368 -203254.5947 2632.2161 0.0000 0.0000 52038.8052 -109272.9682 299.0677 -161311.7734 -108914.0216 299.9048 -26.6527 -3.3341 762885.0161 -9.0104 -9.1280 PRESSURE: 2895400 -263.034 24.8903 -202.782 24.891 -22.7646 -8.69281 -202.782 -8.69319 -333.496 GPRESSURE: 2895400 -228.891 3.62881 -123.671 126.465 10.8373 -2.34922 -203.119 43.2795 -317.747 PRESSAVG: 2895400 27.2317 5.49439 -32.6111 5.4944 -28.19 -42.9154 -32.6111 -42.9154 13.458 GPRESSAVG: 2895400 28.8747 4.60186 -33.4095 7.01119 -28.7248 -43.2675 -31.6337 -43.3246 12.1401 TIMING: 2895400 CPU: 9215, 0.00311386/step Wall: 9215, 0.00311386/step, 1.8204 hours remaining, 241.062500 MB of memory in use. ENERGY: 2895400 4036.2252 20778.6379 14454.3533 236.9029 -202988.6763 2353.0753 0.0000 0.0000 51746.1730 -109383.3087 297.3860 -161129.4817 -109024.2609 299.4629 -206.4317 -178.6000 762489.6766 4.1666 4.0967 PRESSURE: 2895600 -74.6832 -63.0656 241.801 -63.0647 32.0698 44.9718 241.801 44.973 -153.141 GPRESSURE: 2895600 -114.705 -72.9516 260.104 31.5286 130.243 51.9633 139.438 142.374 -126.588 PRESSAVG: 2895600 6.89244 22.701 -84.9264 22.7011 0.677399 -32.5871 -84.9264 -32.5871 -30.7572 GPRESSAVG: 2895600 6.16539 22.2162 -82.8859 23.5876 0.776395 -31.9228 -84.473 -33.3521 -30.2082 TIMING: 2895600 CPU: 9215.62, 0.0031204/step Wall: 9215.62, 0.0031204/step, 1.82405 hours remaining, 241.062500 MB of memory in use. ENERGY: 2895600 3889.7630 20522.3029 14478.2608 241.7644 -202852.8950 2368.7077 0.0000 0.0000 51887.5292 -109464.5671 298.1983 -161352.0962 -109099.7715 298.7567 -65.2513 -37.0166 762689.1162 -7.7291 -7.7555 PRESSURE: 2895800 -249.753 64.6948 36.5876 64.6935 128.039 216.836 36.5878 216.835 -57.724 GPRESSURE: 2895800 -205.065 -2.08736 2.83723 50.1289 94.1872 276.658 -29.5777 181.265 5.77559 PRESSAVG: 2895800 -18.5649 0.463877 -31.6139 0.463841 30.5607 -37.7521 -31.6139 -37.7521 -6.85984 GPRESSAVG: 2895800 -18.7302 1.02162 -32.8562 0.0698158 29.9533 -37.364 -31.6193 -37.8364 -6.19 TIMING: 2895800 CPU: 9216.25, 0.00313575/step Wall: 9216.25, 0.00313575/step, 1.83285 hours remaining, 241.062500 MB of memory in use. ENERGY: 2895800 3979.5879 20504.5228 14506.1644 236.9847 -202782.0857 2217.1095 0.0000 0.0000 51951.5686 -109386.1477 298.5664 -161337.7163 -109023.0408 299.0110 -59.8129 -35.0341 762204.0119 1.7120 1.6777 PRESSURE: 2896000 12.1965 -129.683 -114.839 -129.682 -404.168 -44.6167 -114.839 -44.615 -324.047 GPRESSURE: 2896000 4.5081 -146.343 -129.237 -238.419 -331.64 -67.5903 -241.298 -148.473 -296.08 PRESSAVG: 2896000 10.5169 -18.9614 46.1499 -18.9614 4.16667 -58.8175 46.1499 -58.8175 9.49744 GPRESSAVG: 2896000 10.8001 -19.489 46.3884 -18.9271 4.18046 -59.6527 45.6984 -57.9847 8.77684 TIMING: 2896000 CPU: 9216.87, 0.00310765/step Wall: 9216.87, 0.00310765/step, 1.81625 hours remaining, 241.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2896000 4052.3042 20425.0917 14515.3234 263.8821 -202995.7468 2369.2958 0.0000 0.0000 51963.7310 -109406.1184 298.6363 -161369.8495 -109046.6254 299.1795 -238.6726 -207.7374 762849.0752 8.0603 7.9191 PRESSURE: 2896200 -141.578 10.3788 94.2911 10.3783 -34.1778 155.406 94.2916 155.406 -174.857 GPRESSURE: 2896200 -86.8954 129.294 97.398 85.9873 30.9704 186.112 89.1516 115.283 -198.308 PRESSAVG: 2896200 5.43287 -50.5298 -11.2535 -50.5298 -31.7844 -17.8571 -11.2536 -17.8571 -1.6094 GPRESSAVG: 2896200 4.52422 -50.4114 -10.821 -49.3146 -32.3808 -17.4275 -11.7494 -18.4849 -0.656601 TIMING: 2896200 CPU: 9217.5, 0.00312013/step Wall: 9217.5, 0.00312013/step, 1.82337 hours remaining, 241.062500 MB of memory in use. ENERGY: 2896200 3958.0474 20502.0811 14474.7036 269.5555 -203331.5442 2391.7731 0.0000 0.0000 52227.4841 -109507.8995 300.1521 -161735.3835 -109155.8641 299.0404 -116.8707 -84.7443 759731.0734 -9.3203 -9.5044 LDB: ============= START OF LOAD BALANCING ============== 9229.95 LDB: ============== END OF LOAD BALANCING =============== 9229.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9229.95 LDB: ============= START OF LOAD BALANCING ============== 9230.26 LDB: Largest compute 7056 load 0.033639 is 17.2% of average load 0.195333 LDB: Average compute 0.004386 is 2.2% of average load 0.195333 LDB: TIME 9230.26 LOAD: AVG 0.195333 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9230.26 LOAD: AVG 0.195333 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 9230.26 LOAD: AVG 0.195333 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 9230.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9230.27 PRESSURE: 2896400 -136.947 89.6723 -107.173 89.6724 -34.7598 -5.81156 -107.172 -5.81253 -205.385 GPRESSURE: 2896400 -153.477 121.415 -151.416 179.082 57.3077 -51.7727 -99.9745 8.59727 -208.26 PRESSAVG: 2896400 13.2083 31.4498 -41.1182 31.4498 -1.66818 -52.486 -41.1182 -52.486 -6.62497 GPRESSAVG: 2896400 12.9095 30.5069 -42.3377 30.3385 -0.782998 -53.7017 -40.2385 -52.9495 -7.66273 TIMING: 2896400 CPU: 9218.14, 0.0031878/step Wall: 9218.14, 0.0031878/step, 1.86274 hours remaining, 240.406250 MB of memory in use. ENERGY: 2896400 4022.5895 20575.7973 14512.7186 243.1494 -203360.4045 2306.9481 0.0000 0.0000 52203.9333 -109495.2683 300.0167 -161699.2016 -109126.6993 299.2308 -125.6973 -101.4766 760744.8830 1.6384 1.4879 PRESSURE: 2896600 -199.328 -108.475 -169.5 -108.475 -121.937 -100.881 -169.501 -100.881 -23.0386 GPRESSURE: 2896600 -121.058 -136.962 -79.9088 -54.4809 -101.486 -56.3808 -158.812 -72.3672 -40.5494 PRESSAVG: 2896600 -15.4169 -36.5768 54.2635 -36.5768 38.0993 -19.3801 54.2634 -19.3801 10.4091 GPRESSAVG: 2896600 -14.3999 -36.0695 54.3447 -35.59 37.1043 -19.1423 54.6914 -19.592 10.7834 TIMING: 2896600 CPU: 9218.76, 0.00312588/step Wall: 9218.76, 0.00312588/step, 1.82638 hours remaining, 240.609375 MB of memory in use. ENERGY: 2896600 3983.8903 20482.6870 14569.2048 234.8148 -203028.4893 2537.0556 0.0000 0.0000 51950.6212 -109270.2156 298.5609 -161220.8368 -108913.6405 299.1712 -114.7680 -87.6977 762375.0882 11.0305 11.1626 PRESSURE: 2896800 123.078 63.5051 -59.569 63.5054 12.2502 -148.294 -59.5697 -148.293 -80.3391 GPRESSURE: 2896800 131.367 95.2358 -111.799 137.157 22.6271 -217.69 -1.3121 -167.735 -21.7915 PRESSAVG: 2896800 -39.8018 -61.3285 -22.953 -61.3285 -8.70789 -3.85313 -22.953 -3.85302 -0.785345 GPRESSAVG: 2896800 -39.4182 -59.998 -20.829 -61.1923 -8.29873 -2.28156 -23.524 -4.44324 -1.49278 TIMING: 2896800 CPU: 9219.38, 0.00312133/step Wall: 9219.38, 0.00312133/step, 1.82355 hours remaining, 240.609375 MB of memory in use. ENERGY: 2896800 3964.1262 20433.0689 14578.4526 253.7626 -203021.6024 2466.6662 0.0000 0.0000 52177.2894 -109148.2364 299.8636 -161325.5258 -108787.6667 299.3956 18.3297 44.0674 762032.5198 -16.4317 -16.4032 PRESSURE: 2897000 80.2134 -8.72593 102.546 -8.72624 48.2537 153.323 102.545 153.324 165.975 GPRESSURE: 2897000 105.639 -95.6485 78.4309 83.6827 122.056 100.084 -9.34256 21.5643 156.41 PRESSAVG: 2897000 -37.7972 -24.2042 -4.8665 -24.2042 50.5233 13.3339 -4.86644 13.3339 9.11523 GPRESSAVG: 2897000 -38.4079 -23.3933 -5.79039 -24.9791 50.8255 11.6929 -5.78611 15.11 9.44922 TIMING: 2897000 CPU: 9220.01, 0.00313863/step Wall: 9220.01, 0.00313863/step, 1.83348 hours remaining, 240.609375 MB of memory in use. ENERGY: 2897000 3981.5282 20646.3701 14491.4868 240.4479 -203471.9324 2766.1035 0.0000 0.0000 52123.2566 -109222.7393 299.5531 -161345.9959 -108862.4177 299.4098 98.1475 128.0349 760849.5083 7.2805 7.2890 PRESSURE: 2897200 -241.712 -38.4239 -107.903 -38.4243 -94.5116 175.299 -107.903 175.3 -461.168 GPRESSURE: 2897200 -165.673 32.4109 -7.59185 6.74608 -165.302 176.332 25.1347 68.4098 -382.146 PRESSAVG: 2897200 -29.9852 -35.695 -2.60382 -35.695 41.8052 -49.9329 -2.60382 -49.9329 13.1646 GPRESSAVG: 2897200 -29.4221 -36.658 -3.20693 -36.9967 40.9355 -50.5048 -0.587853 -50.7905 13.7536 TIMING: 2897200 CPU: 9220.64, 0.00312463/step Wall: 9220.64, 0.00312463/step, 1.82513 hours remaining, 240.609375 MB of memory in use. ENERGY: 2897200 4031.4306 20508.2806 14484.7714 234.3180 -202847.2964 2168.4653 0.0000 0.0000 52227.7373 -109192.2933 300.1535 -161420.0306 -108831.1450 299.9330 -265.7973 -237.7070 763999.4176 8.3282 8.4223 PRESSURE: 2897400 73.6863 -2.62993 -91.4498 -2.62938 -101.145 -135.324 -91.4504 -135.324 -279.248 GPRESSURE: 2897400 103.04 -168.934 -54.3538 42.428 -5.52799 -98.1708 -109.793 -146.312 -292.596 PRESSAVG: 2897400 13.2921 -43.0111 -58.7033 -43.0111 -3.82359 35.5276 -58.7033 35.5277 -9.03428 GPRESSAVG: 2897400 13.3721 -41.5306 -58.7395 -42.202 -3.2938 36.7973 -60.0634 38.251 -9.89772 TIMING: 2897400 CPU: 9221.27, 0.0031412/step Wall: 9221.27, 0.0031412/step, 1.83464 hours remaining, 240.609375 MB of memory in use. ENERGY: 2897400 3925.9913 20571.5031 14564.9385 251.5632 -203068.7476 2441.0232 0.0000 0.0000 52059.5138 -109254.2145 299.1867 -161313.7283 -108892.9620 299.7065 -102.2357 -65.0282 761519.3552 0.1448 0.0602 PRESSURE: 2897600 -35.4606 59.8722 137.513 59.8724 -14.6443 47.7664 137.513 47.7666 -213.214 GPRESSURE: 2897600 22.36 90.7436 134.088 169.26 89.4824 69.9571 225.065 -32.6341 -278.946 PRESSAVG: 2897600 36.4372 14.3057 16.514 14.3057 -3.25559 9.18835 16.514 9.1883 3.02576 GPRESSAVG: 2897600 36.2449 13.3385 15.7216 13.8335 -1.70677 7.93243 18.0718 5.4148 2.33607 TIMING: 2897600 CPU: 9221.89, 0.00313181/step Wall: 9221.89, 0.00313181/step, 1.82898 hours remaining, 240.609375 MB of memory in use. ENERGY: 2897600 3924.5711 20388.9732 14534.5494 248.7842 -203307.0409 2749.0400 0.0000 0.0000 52023.3110 -109437.8120 298.9787 -161461.1230 -109075.1900 299.2154 -87.7730 -55.7012 760409.3291 12.0691 12.2914 PRESSURE: 2897800 174.038 -17.4022 -99.6862 -17.4026 -141.978 -55.4535 -99.6866 -55.4544 -5.21 GPRESSURE: 2897800 178.811 -36.7943 -61.0372 56.2023 -100.345 -85.0344 -173.671 -46.1844 46.2708 PRESSAVG: 2897800 -23.1825 11.941 78.1922 11.941 17.1732 -5.84914 78.1921 -5.84918 -14.9479 GPRESSAVG: 2897800 -23.097 13.4684 79.5532 12.694 16.8094 -3.93754 76.3371 -5.42027 -14.9176 TIMING: 2897800 CPU: 9222.52, 0.00314071/step Wall: 9222.52, 0.00314071/step, 1.834 hours remaining, 240.609375 MB of memory in use. ENERGY: 2897800 3997.1071 20330.4493 14553.5530 259.5531 -203221.3510 2593.9763 0.0000 0.0000 51742.7168 -109743.9956 297.3661 -161486.7123 -109378.8761 298.7453 8.9501 41.5790 759959.3928 -6.9857 -7.0684 PRESSURE: 2898000 -84.7221 56.635 106.937 56.6353 250.091 -194.997 106.937 -194.997 138.744 GPRESSURE: 2898000 -5.23523 81.8455 47.0211 -30.2517 299.745 -195.167 -37.887 -88.955 109.536 PRESSAVG: 2898000 -21.9743 17.559 -3.66957 17.559 35.8786 -24.1905 -3.66959 -24.1905 -2.08025 GPRESSAVG: 2898000 -21.5017 16.4841 -3.60947 16.5837 35.7724 -25.4282 -3.06028 -22.742 -2.10298 TIMING: 2898000 CPU: 9223.15, 0.00314661/step Wall: 9223.15, 0.00314661/step, 1.83727 hours remaining, 240.609375 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: 2898000 3980.3093 20382.2650 14572.1723 241.9493 -203377.0645 2655.7377 0.0000 0.0000 52132.0244 -109412.6063 299.6035 -161544.6307 -109048.3195 298.8959 101.3710 134.6822 760272.6665 3.9413 4.0559 PRESSURE: 2898200 13.1025 -94.9772 143.35 -94.9778 -166.445 -142.082 143.35 -142.081 117.814 GPRESSURE: 2898200 6.87339 -53.9967 111.349 -168.552 -39.7093 -226.446 163.896 -126.472 71.6399 PRESSAVG: 2898200 6.39513 -56.8615 -58.039 -56.8615 -16.0407 -6.86445 -58.0389 -6.86438 -10.7937 GPRESSAVG: 2898200 5.67838 -55.0437 -59.2437 -57.528 -15.7061 -8.18321 -58.9076 -6.43183 -9.59832 TIMING: 2898200 CPU: 9223.78, 0.00314771/step Wall: 9223.78, 0.00314771/step, 1.83774 hours remaining, 240.609375 MB of memory in use. ENERGY: 2898200 4036.3653 20330.9563 14603.2161 268.1596 -203106.5849 2416.5788 0.0000 0.0000 52056.2274 -109395.0814 299.1679 -161451.3088 -109023.0562 299.5587 -11.8428 12.9347 762562.4842 -6.8131 -6.5420 PRESSURE: 2898400 147.443 -20.1499 149.007 -20.149 -46.8786 40.0637 149.007 40.064 -65.7641 GPRESSURE: 2898400 285.362 11.3758 80.0565 126.091 12.6213 34.6845 176.203 129.553 -190.128 PRESSAVG: 2898400 -5.61323 -50.3943 3.78943 -50.3943 -2.39897 18.3236 3.78946 18.3236 13.5908 GPRESSAVG: 2898400 -5.16306 -52.0886 6.32764 -48.6885 -2.07312 20.5266 3.90857 15.947 12.7109 TIMING: 2898400 CPU: 9224.41, 0.00313286/step Wall: 9224.41, 0.00313286/step, 1.82889 hours remaining, 240.609375 MB of memory in use. ENERGY: 2898400 3973.5693 20461.3551 14500.0916 252.2332 -203251.2686 2414.9115 0.0000 0.0000 52091.5346 -109557.5734 299.3708 -161649.1080 -109195.8833 299.1862 11.6002 35.9516 759471.4783 1.8595 1.8249 PRESSURE: 2898600 -95.7789 278.887 -5.96306 278.887 -65.2102 212.544 -5.96269 212.543 325.607 GPRESSURE: 2898600 -119.011 285.59 1.12844 168.151 40.4668 100.836 -67.754 219.937 328.184 PRESSAVG: 2898600 36.86 -1.10699 62.2656 -1.10694 22.212 -22.9845 62.2655 -22.9845 0.717461 GPRESSAVG: 2898600 37.0439 0.219376 61.0566 -2.94763 21.1233 -23.9401 62.1747 -22.5305 1.66052 TIMING: 2898600 CPU: 9225.03, 0.00313668/step Wall: 9225.03, 0.00313668/step, 1.83095 hours remaining, 240.609375 MB of memory in use. ENERGY: 2898600 3980.3149 20405.6674 14527.4460 261.2312 -203307.7973 2545.8851 0.0000 0.0000 51894.5199 -109692.7328 298.2385 -161587.2526 -109345.7438 298.8324 54.8727 83.2131 760761.2539 19.9298 19.9426 PRESSURE: 2898800 -106.138 14.969 -71.2781 14.9693 -20.79 -223.927 -71.2777 -223.926 -57.1693 GPRESSURE: 2898800 27.9258 141.688 -213.197 24.5468 26.2605 -270.407 -77.024 -216.217 -148.82 PRESSAVG: 2898800 -21.615 0.699695 6.8075 0.699675 -3.97386 73.2647 6.80749 73.2648 -3.7569 GPRESSAVG: 2898800 -21.5861 0.204508 5.9584 2.91195 -3.70045 72.0889 6.14279 74.7808 -4.0761 TIMING: 2898800 CPU: 9225.66, 0.00316039/step Wall: 9225.66, 0.00316039/step, 1.84461 hours remaining, 240.609375 MB of memory in use. ENERGY: 2898800 3895.1842 20354.5339 14478.1471 236.3286 -202788.4657 2148.2182 0.0000 0.0000 51865.6639 -109810.3898 298.0727 -161676.0537 -109453.1006 298.5386 -61.3658 -31.5444 760447.4037 -9.7819 -9.7875 PRESSURE: 2899000 -112.199 76.111 15.0691 76.1121 3.80037 -44.1086 15.0686 -44.1094 -37.6844 GPRESSURE: 2899000 -58.2338 1.28065 -8.90311 113.544 -12.0738 -4.78896 101.933 -89.6972 -2.09335 PRESSAVG: 2899000 8.04083 58.9439 6.48165 58.944 -7.61382 -4.85498 6.48162 -4.85498 29.1564 GPRESSAVG: 2899000 9.22171 56.1825 7.15853 57.7007 -7.56141 -4.1269 6.97598 -5.86316 28.3957 TIMING: 2899000 CPU: 9226.29, 0.00313722/step Wall: 9226.29, 0.00313722/step, 1.83092 hours remaining, 240.609375 MB of memory in use. ENERGY: 2899000 4004.4141 20347.6267 14526.2713 251.9406 -203208.9038 2308.1121 0.0000 0.0000 52073.9364 -109696.6026 299.2696 -161770.5390 -109334.7427 298.5561 -48.6944 -24.1337 760234.6403 9.8611 10.0187 PRESSURE: 2899200 126.652 -26.9765 77.2428 -26.9759 78.4628 100.476 77.2424 100.476 -446.257 GPRESSURE: 2899200 86.0348 -24.4679 32.6578 17.9316 119.577 97.2637 231.942 30.9461 -371.564 PRESSAVG: 2899200 9.74166 -12.0363 19.2099 -12.0363 -29.0098 20.6043 19.2099 20.6043 -2.12716 GPRESSAVG: 2899200 9.05406 -11.5055 18.14 -9.55516 -29.5254 20.81 18.3482 20.4775 -0.765954 TIMING: 2899200 CPU: 9226.92, 0.00313355/step Wall: 9226.92, 0.00313355/step, 1.8286 hours remaining, 240.609375 MB of memory in use. ENERGY: 2899200 3958.1256 20433.0019 14430.4257 255.0797 -203181.4335 2346.5387 0.0000 0.0000 51773.2460 -109985.0160 297.5416 -161758.2619 -109626.1522 297.9419 -80.3805 -55.3174 760313.9290 -7.1318 -7.0791 PRESSURE: 2899400 -10.8825 -88.3363 174.759 -88.3363 -124.382 158.136 174.759 158.136 -37.1264 GPRESSURE: 2899400 87.9176 -63.6669 101.343 -9.31456 -58.3671 126.968 183.461 85.1263 -106.196 PRESSAVG: 2899400 30.4263 -47.8299 -14.4418 -47.8299 -59.3128 33.381 -14.4417 33.3811 13.5273 GPRESSAVG: 2899400 30.7716 -48.2607 -13.8703 -48.4131 -58.7957 32.7918 -12.9872 34.6834 13.184 TIMING: 2899400 CPU: 9227.55, 0.00313567/step Wall: 9227.55, 0.00313567/step, 1.82966 hours remaining, 240.609375 MB of memory in use. ENERGY: 2899400 3984.9268 20405.5250 14501.1655 253.2831 -202907.5580 2263.7785 0.0000 0.0000 51689.5832 -109809.2958 297.0607 -161498.8790 -109459.3618 297.7933 -57.4637 -25.5485 761671.4829 -5.1197 -4.9467 PRESSURE: 2899600 436.6 -46.5051 131.559 -46.5057 87.9286 -50.1744 131.56 -50.1731 139.965 GPRESSURE: 2899600 399.554 -48.8742 167.995 -87.9903 130.487 29.9365 233.398 -148.49 218.671 PRESSAVG: 2899600 101.86 20.2838 -44.3305 20.2837 -54.8188 -18.7507 -44.3305 -18.7508 -3.85779 GPRESSAVG: 2899600 103.234 22.805 -44.2556 19.6799 -55.1474 -19.044 -45.4717 -21.0145 -4.66684 TIMING: 2899600 CPU: 9228.18, 0.00316005/step Wall: 9228.18, 0.00316005/step, 1.84371 hours remaining, 240.609375 MB of memory in use. ENERGY: 2899600 4002.8114 20353.7948 14520.6633 240.9841 -203860.6868 2872.3524 0.0000 0.0000 52078.6941 -109791.3867 299.2970 -161870.0808 -109429.4962 298.0388 221.4978 249.5709 758906.3096 14.3944 14.4734 PRESSURE: 2899800 -235.417 -14.1895 -92.3554 -14.1881 -437.87 -93.6873 -92.3554 -93.6873 115.819 GPRESSURE: 2899800 -154.493 24.2382 -33.3514 16.631 -404.558 -46.0231 15.9048 -23.12 95.4102 PRESSAVG: 2899800 20.1124 16.4635 -27.6768 16.4636 3.42089 3.30847 -27.6769 3.3085 -33.972 GPRESSAVG: 2899800 18.3654 14.6338 -26.2731 15.3156 4.40137 5.32197 -26.369 3.69659 -33.6205 TIMING: 2899800 CPU: 9228.81, 0.00314194/step Wall: 9228.81, 0.00314194/step, 1.83297 hours remaining, 240.609375 MB of memory in use. ENERGY: 2899800 3998.9171 20357.4299 14484.1945 238.5512 -203362.2012 2525.1485 0.0000 0.0000 51947.9747 -109809.9852 298.5457 -161757.9599 -109441.7778 298.4479 -185.8223 -154.5468 760201.3681 -3.4796 -3.6179 PRESSURE: 2900000 -88.1848 -175.334 -123.934 -175.335 12.2229 33.4381 -123.933 33.438 -19.7648 GPRESSURE: 2900000 -37.7261 -136.875 -233.412 -113.676 92.9141 6.14671 -91.5557 9.26733 -57.3771 PRESSAVG: 2900000 -0.571385 -2.42996 -70.3154 -2.42997 -4.4355 -5.58011 -70.3154 -5.58011 27.0262 GPRESSAVG: 2900000 -0.220904 -0.594301 -72.6501 -4.17202 -3.55841 -6.39364 -67.1195 -5.44544 25.7323 TIMING: 2900000 CPU: 9229.44, 0.00315434/step Wall: 9229.44, 0.00315434/step, 1.84003 hours remaining, 240.609375 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: 2900000 3939.7410 20364.6093 14438.7662 239.0771 -203134.0186 2293.7856 0.0000 0.0000 51764.8699 -110093.1695 297.4934 -161858.0394 -109739.7147 298.2263 -31.9089 -0.7297 760156.6181 7.3398 7.3177 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 79.6212 -159.513 -180.098 -159.512 111.747 2.42327 -180.098 2.4212 9.34945 GPRESSURE: 2900200 50.2191 -219.364 -280.784 -178.415 132.147 19.4905 -82.364 114.19 98.2391 PRESSAVG: 2900200 22.3894 4.74181 -15.8505 4.74174 -63.1221 -49.0772 -15.8505 -49.0773 -10.2032 GPRESSAVG: 2900200 22.1786 5.14503 -14.4597 6.19639 -63.4396 -47.6161 -18.9324 -47.4453 -10.1849 TIMING: 2900200 CPU: 9230.11, 0.00337594/step Wall: 9230.11, 0.00337594/step, 1.96911 hours remaining, 240.609375 MB of memory in use. ENERGY: 2900200 3886.1285 20386.6621 14559.9282 256.0926 -203162.6712 2228.4953 0.0000 0.0000 51845.3957 -109999.9689 297.9562 -161845.3646 -109636.1756 297.9099 66.9059 93.5351 759756.5249 -16.9786 -17.1486 LDB: ============= START OF LOAD BALANCING ============== 9242.56 LDB: ============== END OF LOAD BALANCING =============== 9242.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9242.57 LDB: ============= START OF LOAD BALANCING ============== 9242.88 LDB: Largest compute 7048 load 0.033652 is 17.2% of average load 0.195294 LDB: Average compute 0.004393 is 2.2% of average load 0.195294 LDB: TIME 9242.88 LOAD: AVG 0.195294 MAX 0.215009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9242.88 LOAD: AVG 0.195294 MAX 0.215009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 9242.88 LOAD: AVG 0.195294 MAX 0.215009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 9242.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9242.89 PRESSURE: 2900400 107.572 -127.421 -149.422 -127.421 -16.9937 -76.6234 -149.423 -76.6242 -212.495 GPRESSURE: 2900400 82.369 -130.506 -172 -85.1191 -59.8091 -13.233 -57.1329 -198.041 -69.0915 PRESSAVG: 2900400 -0.372068 9.90854 -11.6479 9.9085 -13.659 -31.4567 -11.648 -31.4568 -4.35721 GPRESSAVG: 2900400 -0.910615 8.29391 -10.5772 10.9219 -14.3788 -32.9676 -10.3758 -32.9491 -3.38723 TIMING: 2900400 CPU: 9230.75, 0.00320848/step Wall: 9230.75, 0.00320848/step, 1.87126 hours remaining, 240.664062 MB of memory in use. ENERGY: 2900400 3894.9371 20380.4837 14487.0193 236.0488 -203228.3366 2387.4308 0.0000 0.0000 51879.4330 -109962.9840 298.1518 -161842.4169 -109605.3199 297.5281 -40.6391 -15.5105 760171.4361 -6.1294 -6.2256 PRESSURE: 2900600 -296.204 -185.491 85.2825 -185.491 -298.683 -303.071 85.2823 -303.072 -489.039 GPRESSURE: 2900600 -254.14 -86.4007 171.524 -138.549 -272.589 -261.26 4.14413 -206.853 -488.592 PRESSAVG: 2900600 1.02703 -7.32865 29.1016 -7.32861 -27.5521 -45.4537 29.1015 -45.4537 -0.361715 GPRESSAVG: 2900600 1.69029 -5.03414 28.4414 -8.86265 -27.3409 -44.7077 28.0091 -44.3895 -0.975777 TIMING: 2900600 CPU: 9231.38, 0.00311793/step Wall: 9231.38, 0.00311793/step, 1.81827 hours remaining, 240.664062 MB of memory in use. ENERGY: 2900600 3988.5822 20510.1283 14575.2262 240.1211 -203591.3580 2452.9246 0.0000 0.0000 52096.1698 -109728.2059 299.3974 -161824.3757 -109365.5700 298.3887 -361.3086 -338.4403 760162.5432 -8.9622 -8.8755 PRESSURE: 2900800 -376.826 111.337 12.7754 111.337 -141.44 106.699 12.7752 106.699 -258.483 GPRESSURE: 2900800 -203.374 70.2648 22.6896 79.1075 -97.5353 100.461 -9.28941 -70.1076 -369.577 PRESSAVG: 2900800 -53.2231 4.67324 -9.18512 4.67322 49.9636 -82.4069 -9.18516 -82.4069 -12.3362 GPRESSAVG: 2900800 -51.8973 0.789585 -8.83182 6.26056 49.4015 -83.0581 -11.2894 -84.2166 -13.1268 TIMING: 2900800 CPU: 9232, 0.00312191/step Wall: 9232, 0.00312191/step, 1.82042 hours remaining, 240.664062 MB of memory in use. ENERGY: 2900800 3965.4114 20543.1143 14485.3980 248.6959 -203194.3606 2437.9352 0.0000 0.0000 51761.5970 -109752.2088 297.4746 -161513.8058 -109391.9397 299.0115 -258.9164 -223.4953 761665.8610 -5.1986 -5.2075 PRESSURE: 2901000 -199.178 69.7525 -2.98768 69.7523 -30.3514 -84.8164 -2.98715 -84.8156 44.818 GPRESSURE: 2901000 -128.892 153.675 -16.4506 113.64 0.351989 -77.5789 -39.8228 -160.469 23.7171 PRESSAVG: 2901000 -14.3843 19.0668 -34.5748 19.0668 -10.6867 -34.0931 -34.5748 -34.0931 -1.2541 GPRESSAVG: 2901000 -15.7685 18.9052 -36.4968 19.8002 -10.2287 -33.9765 -32.1218 -33.0693 -0.523304 TIMING: 2901000 CPU: 9232.63, 0.0031218/step Wall: 9232.63, 0.0031218/step, 1.82018 hours remaining, 240.664062 MB of memory in use. ENERGY: 2901000 3957.8428 20474.5491 14396.5187 263.5003 -203304.8547 2529.6291 0.0000 0.0000 51947.3396 -109735.4751 298.5421 -161682.8147 -109380.1221 298.5273 -61.5705 -34.9411 761455.7832 -8.7750 -8.8402 PRESSURE: 2901200 -34.9952 -236.057 -92.4019 -236.058 113.043 -196.569 -92.4025 -196.568 0.526921 GPRESSURE: 2901200 -7.24022 -183.539 -61.655 -85.8109 153.845 -149.411 -18.2347 -90.2719 29.4108 PRESSAVG: 2901200 -48.2065 -24.5836 26.5761 -24.5836 27.8683 -27.7594 26.5761 -27.7593 -11.0018 GPRESSAVG: 2901200 -48.7133 -22.098 27.668 -25.3479 28.3243 -27.4741 25.4225 -27.6915 -10.8097 TIMING: 2901200 CPU: 9233.25, 0.00312605/step Wall: 9233.25, 0.00312605/step, 1.82249 hours remaining, 240.664062 MB of memory in use. ENERGY: 2901200 3963.3813 20214.9505 14458.0822 237.6992 -203587.9892 2726.0079 0.0000 0.0000 52348.2089 -109639.6592 300.8459 -161987.8681 -109279.7652 298.5066 26.1916 58.6718 760408.9449 -10.4467 -10.3996 PRESSURE: 2901400 86.6463 -45.0067 -117.427 -45.0064 39.5327 -427.886 -117.427 -427.886 73.0117 GPRESSURE: 2901400 107.123 57.3176 -0.350085 18.9054 52.814 -386.62 -136.51 -333.388 138.965 PRESSAVG: 2901400 -23.2903 -34.4629 35.9265 -34.4629 56.6179 -3.03282 35.9265 -3.03285 -3.10776 GPRESSAVG: 2901400 -23.279 -35.5308 36.8214 -32.9274 56.8775 -3.60613 37.2083 -0.804003 -3.34432 TIMING: 2901400 CPU: 9233.88, 0.00312828/step Wall: 9233.88, 0.00312828/step, 1.82361 hours remaining, 240.664062 MB of memory in use. ENERGY: 2901400 3984.0121 20552.0168 14538.7658 229.9787 -203457.3743 2459.9314 0.0000 0.0000 52208.2906 -109484.3789 300.0418 -161692.6695 -109133.4730 299.0736 66.3969 99.6341 759626.7207 10.0733 10.0847 PRESSURE: 2901600 213.009 -99.023 99.9238 -99.023 -164.827 -256.26 99.9231 -256.26 -298.67 GPRESSURE: 2901600 244.926 -191.203 88.0975 -104.014 -130.657 -106.95 114.331 -247.625 -274.966 PRESSAVG: 2901600 -6.6176 -34.2456 -24.8647 -34.2456 23.522 -49.7682 -24.8647 -49.7682 3.31851 GPRESSAVG: 2901600 -6.33898 -33.2904 -26.3728 -35.2292 22.6938 -48.9962 -24.611 -51.7526 3.84847 TIMING: 2901600 CPU: 9234.5, 0.00313612/step Wall: 9234.5, 0.00313612/step, 1.82801 hours remaining, 240.664062 MB of memory in use. ENERGY: 2901600 3963.2628 20458.7355 14520.3605 255.7879 -202934.1063 2185.3352 0.0000 0.0000 52079.1185 -109471.5059 299.2994 -161550.6244 -109101.8836 299.5068 -83.4961 -53.5660 760862.5089 6.7410 6.7344 PRESSURE: 2901800 -412.797 -101.742 35.2512 -101.742 -349.453 123.996 35.2505 123.995 491.599 GPRESSURE: 2901800 -249.988 -97.3238 -11.7831 -3.11306 -310.306 100.913 60.9966 229.536 389.589 PRESSAVG: 2901800 34.8643 17.5767 10.4678 17.5768 -29.6501 -17.4785 10.4678 -17.4785 6.124 GPRESSAVG: 2901800 35.1232 18.0135 10.7319 17.2913 -28.7432 -18.3882 8.39002 -17.956 4.94042 TIMING: 2901800 CPU: 9235.13, 0.00314284/step Wall: 9235.13, 0.00314284/step, 1.83175 hours remaining, 240.664062 MB of memory in use. ENERGY: 2901800 3956.3094 20501.1913 14473.7023 257.8622 -202954.3128 2081.3669 0.0000 0.0000 52105.9040 -109577.9768 299.4533 -161683.8808 -109218.1095 298.8195 -90.2169 -56.9015 760544.7763 3.7794 3.7735 PRESSURE: 2902000 -638.944 20.1986 119.99 20.199 -27.6879 108.916 119.99 108.916 130.492 GPRESSURE: 2902000 -545.213 104.814 64.1416 49.5016 24.2635 132.337 25.001 19.7222 65.67 PRESSAVG: 2902000 3.36616 -12.9357 -38.2815 -12.9357 14.3407 -57.4899 -38.2815 -57.4898 -8.31224 GPRESSAVG: 2902000 2.8003 -13.5793 -37.7999 -13.6293 13.9913 -56.013 -38.6296 -57.1408 -7.39793 TIMING: 2902000 CPU: 9235.76, 0.0031389/step Wall: 9235.76, 0.0031389/step, 1.82928 hours remaining, 240.921875 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: 2902000 3965.9678 20429.5889 14442.9953 246.7441 -202732.5172 2065.0779 0.0000 0.0000 52112.6928 -109469.4504 299.4924 -161582.1432 -109106.9363 298.9401 -178.7131 -151.7598 761951.4656 3.1315 3.1312 PRESSURE: 2902200 -65.3737 -64.2136 112.57 -64.2139 -356.232 -103.297 112.57 -103.297 -265.906 GPRESSURE: 2902200 -66.1127 -3.18879 179.109 -164.587 -301.311 -44.8492 211.563 -63.0091 -225.754 PRESSAVG: 2902200 52.933 17.7815 5.17807 17.7816 -57.4521 -42.4354 5.17817 -42.4354 -3.44777 GPRESSAVG: 2902200 53.1721 18.1522 4.67281 17.7798 -57.2967 -43.5225 7.16733 -39.9964 -4.01001 TIMING: 2902200 CPU: 9236.39, 0.00315334/step Wall: 9236.39, 0.00315334/step, 1.83752 hours remaining, 240.921875 MB of memory in use. ENERGY: 2902200 3981.7076 20465.4380 14431.7844 245.8037 -202839.5074 2195.0082 0.0000 0.0000 52006.4634 -109513.3021 298.8819 -161519.7654 -109158.0126 298.9432 -229.1706 -197.7257 761512.4082 -2.6556 -2.7115 PRESSURE: 2902400 39.9837 -39.3807 59.1375 -39.3801 -362.136 179.486 59.1374 179.486 -657.912 GPRESSURE: 2902400 32.0064 3.27636 58.0683 105.456 -311.41 205.072 62.7051 64.3088 -577.105 PRESSAVG: 2902400 74.7458 -18.8371 12.5089 -18.8371 -58.1466 50.5304 12.5088 50.5305 -8.76553 GPRESSAVG: 2902400 73.751 -18.8603 12.4102 -17.2009 -58.6212 50.8685 11.7382 47.7977 -7.17037 TIMING: 2902400 CPU: 9237.02, 0.00313181/step Wall: 9237.02, 0.00313181/step, 1.8248 hours remaining, 240.921875 MB of memory in use. ENERGY: 2902400 3969.5688 20429.6796 14470.6565 239.8096 -202795.4082 2361.3283 0.0000 0.0000 51789.8473 -109534.5180 297.6370 -161324.3653 -109178.1685 299.0876 -326.6881 -285.5028 762478.6596 2.6112 2.6532 PRESSURE: 2902600 -538.051 -45.8894 -83.5709 -45.8906 -280.612 137.53 -83.5704 137.53 -25.5097 GPRESSURE: 2902600 -461.249 -2.36671 -139.149 -83.5917 -232.673 90.6577 75.0712 129.569 -74.6609 PRESSAVG: 2902600 67.2777 -25.4284 40.0117 -25.4283 -23.1563 48.1153 40.0117 48.1152 10.6829 GPRESSAVG: 2902600 67.9858 -26.3784 40.2059 -24.7152 -21.9425 49.2005 40.578 48.8083 8.92375 TIMING: 2902600 CPU: 9237.65, 0.00313779/step Wall: 9237.65, 0.00313779/step, 1.82811 hours remaining, 240.921875 MB of memory in use. ENERGY: 2902600 3968.6408 20374.0882 14475.5131 239.2636 -203217.1975 2339.4192 0.0000 0.0000 51982.6437 -109837.6290 298.7450 -161820.2726 -109468.6125 298.5548 -281.3907 -256.1943 760516.9160 18.2681 18.3223 PRESSURE: 2902800 -294.949 225.314 67.2039 225.314 -336.307 26.4359 67.2039 26.4356 -63.9111 GPRESSURE: 2902800 -286.199 225.148 98.7977 82.0612 -361.933 4.47815 101.313 115.328 25.2416 PRESSAVG: 2902800 3.14709 -21.8755 61.6769 -21.8755 -10.9127 15.2005 61.6769 15.2005 -30.6386 GPRESSAVG: 2902800 3.51352 -21.6687 62.0461 -22.4593 -12.6664 15.1029 61.6008 15.4835 -29.9834 TIMING: 2902800 CPU: 9238.27, 0.00313585/step Wall: 9238.27, 0.00313585/step, 1.8268 hours remaining, 240.921875 MB of memory in use. ENERGY: 2902800 3969.5026 20438.3462 14437.4034 256.7248 -203447.9132 2289.9721 0.0000 0.0000 52218.4747 -109837.4893 300.1003 -162055.9641 -109458.9022 298.7081 -231.7222 -207.6298 761796.8036 -12.8014 -13.0454 PRESSURE: 2903000 35.1519 -222.836 -176.944 -222.835 178.557 -29.0093 -176.944 -29.0101 10.4451 GPRESSURE: 2903000 96.9355 -124.49 -209.893 -258.026 196.239 -108.735 -203.083 10.1912 0.102527 PRESSAVG: 2903000 12.098 -24.3984 -37.0963 -24.3984 -6.81149 -28.7951 -37.0963 -28.7951 9.89635 GPRESSAVG: 2903000 12.1889 -25.1186 -36.778 -24.4991 -6.18554 -28.7882 -37.2248 -28.1675 9.29932 TIMING: 2903000 CPU: 9238.9, 0.00314919/step Wall: 9238.9, 0.00314919/step, 1.83441 hours remaining, 240.921875 MB of memory in use. ENERGY: 2903000 3880.2734 20604.8322 14450.2542 256.1224 -203613.8233 2656.2933 0.0000 0.0000 51928.3247 -109837.7231 298.4328 -161766.0478 -109481.9856 299.1407 74.7179 97.7591 761841.0693 5.0609 5.1009 PRESSURE: 2903200 218.182 113.75 159.582 113.75 -312.526 -110.355 159.581 -110.354 -262.667 GPRESSURE: 2903200 179.166 211.628 130.938 112.804 -220.697 -130.14 -9.60792 10.5746 -212.269 PRESSAVG: 2903200 15.4705 -11.9807 21.0893 -11.9805 -19.1927 1.76184 21.0893 1.76188 -23.978 GPRESSAVG: 2903200 14.6022 -13.7286 21.3037 -11.8316 -19.3996 1.39233 22.7823 2.403 -23.1998 TIMING: 2903200 CPU: 9239.53, 0.00315191/step Wall: 9239.53, 0.00315191/step, 1.83581 hours remaining, 240.921875 MB of memory in use. ENERGY: 2903200 3975.5287 20414.0925 14403.9834 242.4816 -203444.9061 2546.7327 0.0000 0.0000 52109.3686 -109752.7185 299.4733 -161862.0871 -109386.9225 298.7212 -119.0037 -84.6001 761822.0182 -9.2334 -9.3324 PRESSURE: 2903400 290.306 -37.2742 182.485 -37.2742 -86.025 46.728 182.485 46.728 -82.5581 GPRESSURE: 2903400 310.686 -29.1215 177.118 38.0322 7.09379 30.2524 74.4417 -53.2194 -129.03 PRESSAVG: 2903400 9.02876 -18.8371 42.3849 -18.8371 -11.9006 -13.0502 42.3849 -13.0503 0.0193526 GPRESSAVG: 2903400 7.98953 -16.265 44.7545 -19.5373 -10.1414 -12.286 39.8327 -14.778 -0.366685 TIMING: 2903400 CPU: 9240.16, 0.00314214/step Wall: 9240.16, 0.00314214/step, 1.82995 hours remaining, 240.921875 MB of memory in use. ENERGY: 2903400 3971.8589 20369.6520 14440.8667 252.3749 -203657.8380 2546.0338 0.0000 0.0000 52239.3451 -109837.7067 300.2202 -162077.0517 -109467.9644 299.1304 40.5742 62.9165 760821.0571 -0.9508 -0.8395 PRESSURE: 2903600 486.492 -4.45481 -37.6519 -4.45391 -91.737 -188.422 -37.6516 -188.423 -407.155 GPRESSURE: 2903600 482.618 25.069 -14.1172 14.4001 -36.1691 -111.246 -107.686 -106.152 -355.687 PRESSAVG: 2903600 5.41641 -16.4542 54.846 -16.4542 -2.79529 4.99121 54.846 4.99123 -3.5018 GPRESSAVG: 2903600 6.43244 -16.1418 53.2891 -18.0925 -4.31427 5.26261 55.8979 5.41454 -3.73982 TIMING: 2903600 CPU: 9240.78, 0.00311678/step Wall: 9240.78, 0.00311678/step, 1.815 hours remaining, 240.921875 MB of memory in use. ENERGY: 2903600 3992.1255 20454.3254 14425.1862 239.6580 -203329.3730 2500.0018 0.0000 0.0000 51852.1856 -109865.8905 297.9952 -161718.0761 -109505.4431 298.8998 -4.1335 30.2539 759429.2663 -0.2936 -0.5406 PRESSURE: 2903800 -272.216 -119.551 75.478 -119.551 128.33 -44.88 75.4782 -44.8802 -338.134 GPRESSURE: 2903800 -225.072 -108.542 143.52 -96.8111 109.14 -97.3038 160.125 -146.642 -288.563 PRESSAVG: 2903800 50.4874 -29.2871 -23.5515 -29.287 4.59614 -39.802 -23.5515 -39.8021 12.9217 GPRESSAVG: 2903800 50.8531 -29.825 -24.4406 -29.7918 3.68462 -40.3887 -22.265 -38.7536 13.5913 TIMING: 2903800 CPU: 9241.41, 0.00313514/step Wall: 9241.41, 0.00313514/step, 1.82552 hours remaining, 240.921875 MB of memory in use. ENERGY: 2903800 4080.9432 20488.6204 14434.6953 260.7767 -203502.4177 2447.8253 0.0000 0.0000 52006.7859 -109782.7709 298.8837 -161789.5568 -109413.4692 298.9433 -160.6732 -134.8315 759410.5770 22.6684 22.7097 PRESSURE: 2904000 147.945 115.443 -37.9902 115.442 279.163 -40.6625 -37.991 -40.6619 555.929 GPRESSURE: 2904000 156.983 165.163 -25.3551 21.1059 314.901 -38.1673 -110.852 -14.8115 601.573 PRESSAVG: 2904000 -51.0446 -25.0934 -25.6128 -25.0934 15.4389 11.7586 -25.6128 11.7587 7.17665 GPRESSAVG: 2904000 -50.0087 -23.6366 -24.5646 -24.6681 16.0024 11.1462 -26.7079 11.4523 6.03267 TIMING: 2904000 CPU: 9242.04, 0.00313423/step Wall: 9242.04, 0.00313423/step, 1.82482 hours remaining, 240.921875 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: 2904000 3959.1509 20552.4367 14418.8065 227.3903 -203609.1762 2607.4419 0.0000 0.0000 52009.7879 -109834.1621 298.9010 -161843.9499 -109472.2682 298.3627 327.6791 357.8190 759104.7897 -9.4764 -9.3246 PRESSURE: 2904200 -225.163 65.1818 -131.199 65.1829 -20.9681 -165.987 -131.2 -165.988 -119.723 GPRESSURE: 2904200 -105.21 12.3675 -78.5044 188.797 -17.2618 -115.685 -39.7202 -107.372 -146.006 PRESSAVG: 2904200 -12.692 -38.3875 -12.3428 -38.3875 3.13547 -40.7487 -12.3428 -40.7488 -13.9812 GPRESSAVG: 2904200 -13.0977 -38.9852 -12.3739 -38.576 4.39828 -39.5439 -12.1422 -40.793 -14.5624 TIMING: 2904200 CPU: 9242.67, 0.003137/step Wall: 9242.67, 0.003137/step, 1.82626 hours remaining, 240.921875 MB of memory in use. ENERGY: 2904200 4010.6613 20472.1518 14422.3085 248.1114 -202900.2615 2286.4819 0.0000 0.0000 51931.6349 -109528.9117 298.4518 -161460.5466 -109167.7086 299.3458 -121.9512 -89.4926 760975.4092 -7.8459 -7.7540 LDB: ============= START OF LOAD BALANCING ============== 9255.12 LDB: ============== END OF LOAD BALANCING =============== 9255.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9255.12 LDB: ============= START OF LOAD BALANCING ============== 9255.43 LDB: Largest compute 7038 load 0.034049 is 17.4% of average load 0.195160 LDB: Average compute 0.004387 is 2.2% of average load 0.195160 LDB: TIME 9255.44 LOAD: AVG 0.19516 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 9255.44 LOAD: AVG 0.19516 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 9255.44 LOAD: AVG 0.19516 MAX 0.215215 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 9255.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9255.44 PRESSURE: 2904400 -309.37 -106.265 5.26094 -106.264 233.638 -171.97 5.26086 -171.97 -348.695 GPRESSURE: 2904400 -231.259 -222.127 -52.6482 -116.326 220.223 -73.6933 104.564 -210.93 -325.049 PRESSAVG: 2904400 -56.4411 22.0335 -14.7099 22.0334 17.846 -75.0549 -14.7099 -75.0549 -14.2532 GPRESSAVG: 2904400 -57.2671 20.2477 -14.579 21.7602 17.1108 -72.9617 -13.6261 -75.9716 -13.4026 TIMING: 2904400 CPU: 9243.31, 0.00320435/step Wall: 9243.31, 0.00320434/step, 1.86528 hours remaining, 239.324219 MB of memory in use. ENERGY: 2904400 3953.5501 20461.2452 14522.3212 256.0782 -203157.4006 2323.0664 0.0000 0.0000 52061.8436 -109579.2958 299.2001 -161641.1394 -109215.5284 299.0701 -141.4758 -112.0284 759779.2184 -17.6161 -17.8530 PRESSURE: 2904600 -38.7715 72.1129 4.23298 72.1141 -200.863 -180.401 4.23304 -180.401 -37.0853 GPRESSURE: 2904600 49.9943 130.845 58.2888 -82.6245 -309.532 -192.062 -197.771 -170.851 65.9851 PRESSAVG: 2904600 21.0552 17.9449 25.8461 17.9449 -6.40619 -16.3793 25.8461 -16.3794 -7.23753 GPRESSAVG: 2904600 20.4032 19.743 26.8984 17.1261 -7.18248 -17.7164 23.6669 -15.5198 -6.6773 TIMING: 2904600 CPU: 9243.93, 0.00312785/step Wall: 9243.93, 0.00312785/step, 1.82058 hours remaining, 239.324219 MB of memory in use. ENERGY: 2904600 3932.9323 20497.0226 14452.9994 241.8469 -202948.4801 2173.0788 0.0000 0.0000 51997.3299 -109653.2702 298.8294 -161650.6002 -109293.3867 299.2911 -92.2400 -64.5175 759095.1476 2.4705 2.1811 PRESSURE: 2904800 -172.229 -94.8386 116.003 -94.8379 426.523 -163.241 116.003 -163.242 -442.296 GPRESSURE: 2904800 -70.0721 -125.199 212.911 22.3339 442.676 -154.093 206.524 -188.072 -487.354 PRESSAVG: 2904800 1.26183 -2.9535 -10.1265 -2.95359 0.000556119 -38.3976 -10.1266 -38.3976 -13.6747 GPRESSAVG: 2904800 2.89162 -5.06989 -9.87699 -2.94944 -0.967384 -39.9581 -10.6768 -40.276 -14.5172 TIMING: 2904800 CPU: 9244.56, 0.00313876/step Wall: 9244.56, 0.00313876/step, 1.82676 hours remaining, 239.324219 MB of memory in use. ENERGY: 2904800 3971.5782 20439.7873 14488.4184 243.0949 -203710.0038 2669.5958 0.0000 0.0000 52114.5739 -109782.9552 299.5032 -161897.5291 -109423.1263 298.9308 -62.6675 -38.2502 759118.5437 -4.1374 -4.1977 PRESSURE: 2905000 240.36 -22.7031 -94.8095 -22.7039 123.559 -110.735 -94.8106 -110.734 123.282 GPRESSURE: 2905000 340.132 -76.9211 -94.8417 -75.5264 134.131 -55.7044 114.217 8.89792 111.496 PRESSAVG: 2905000 -57.0988 0.576139 -7.86167 0.57607 21.2616 -20.8987 -7.8617 -20.8987 -23.7196 GPRESSAVG: 2905000 -59.1392 1.83557 -9.31123 0.761236 22.2105 -20.0933 -4.78197 -18.8375 -22.4521 TIMING: 2905000 CPU: 9245.19, 0.00315296/step Wall: 9245.19, 0.00315296/step, 1.83485 hours remaining, 239.324219 MB of memory in use. ENERGY: 2905000 3961.5019 20683.2262 14498.7151 245.6486 -203498.5847 2705.9547 0.0000 0.0000 51669.5162 -109734.0219 296.9454 -161403.5382 -109371.8968 298.9405 162.4006 195.2530 760463.5571 -19.8523 -19.7936 PRESSURE: 2905200 -63.3625 114.223 -148.77 114.223 -113.633 -94.0549 -148.771 -94.0555 -169.035 GPRESSURE: 2905200 -134.309 42.992 -122.835 81.6502 -42.7482 -78.5414 -184.192 -70.5472 -92.7018 PRESSAVG: 2905200 -38.9102 -3.51436 78.6574 -3.51431 36.8192 -26.749 78.6574 -26.749 6.22288 GPRESSAVG: 2905200 -37.819 -4.35705 77.7265 -1.48819 37.4562 -24.7684 77.2167 -28.8658 5.20693 TIMING: 2905200 CPU: 9245.82, 0.00313622/step Wall: 9245.82, 0.00313622/step, 1.82493 hours remaining, 239.324219 MB of memory in use. ENERGY: 2905200 4094.7447 20511.0577 14480.8520 248.2220 -203970.7834 2590.7043 0.0000 0.0000 52417.8175 -109627.3852 301.2459 -162045.2027 -109261.6708 299.3165 -115.3435 -89.9196 759288.6825 1.3773 1.6147 PRESSURE: 2905400 -214.439 130.022 82.9134 130.022 -107.934 71.7457 82.9145 71.7447 34.614 GPRESSURE: 2905400 -98.4955 128.514 50.7271 60.5929 -194.561 23.32 151.408 30.6326 109.754 PRESSAVG: 2905400 -57.603 27.7036 51.2298 27.7035 70.6497 58.2478 51.2298 58.2477 19.3772 GPRESSAVG: 2905400 -56.6113 26.7153 52.382 27.9614 68.9631 55.769 50.449 60.1385 20.3211 TIMING: 2905400 CPU: 9246.45, 0.00314646/step Wall: 9246.45, 0.00314646/step, 1.83071 hours remaining, 239.324219 MB of memory in use. ENERGY: 2905400 4021.4085 20642.6140 14459.9540 239.0808 -203500.9370 2498.0625 0.0000 0.0000 51915.3498 -109724.4675 298.3582 -161639.8172 -109369.1087 299.0042 -95.9196 -61.1006 759873.5141 10.8080 10.8909 PRESSURE: 2905600 -11.05 18.1049 281.039 18.1045 -347.503 -31.0073 281.039 -31.0083 -215.541 GPRESSURE: 2905600 -12.0347 -75.814 190.016 -12.5883 -282.346 -33.0874 267.081 6.68616 -211.794 PRESSAVG: 2905600 42.2111 -11.3778 18.3512 -11.3778 -43.012 -14.7038 18.3513 -14.7039 13.4653 GPRESSAVG: 2905600 41.2792 -10.0917 18.8016 -12.2452 -41.8852 -13.7555 19.479 -15.8604 12.8664 TIMING: 2905600 CPU: 9247.08, 0.00317366/step Wall: 9247.08, 0.00317366/step, 1.84637 hours remaining, 239.324219 MB of memory in use. ENERGY: 2905600 3980.8949 20626.8041 14401.0423 249.7240 -203627.3999 2504.7213 0.0000 0.0000 52066.0273 -109798.1861 299.2242 -161864.2134 -109440.2152 298.9761 -191.3644 -168.7251 760291.5010 4.2215 4.0868 PRESSURE: 2905800 206.177 25.554 -51.4897 25.5534 -3.28489 77.1926 -51.49 77.1933 455.651 GPRESSURE: 2905800 211.298 -7.24679 45.9223 5.2897 -13.544 -57.5237 -52.0906 150.153 532.539 PRESSAVG: 2905800 -7.67825 10.7063 16.9651 10.7063 -30.0326 -3.2546 16.9651 -3.25456 3.54831 GPRESSAVG: 2905800 -7.6323 8.97475 16.8328 11.9818 -29.798 -3.92647 15.836 -1.19808 3.20704 TIMING: 2905800 CPU: 9247.71, 0.00314612/step Wall: 9247.71, 0.00314612/step, 1.83017 hours remaining, 239.324219 MB of memory in use. ENERGY: 2905800 3993.2301 20644.3006 14385.2419 246.6989 -203420.0363 2409.2071 0.0000 0.0000 51922.1750 -109819.1828 298.3975 -161741.3578 -109457.3238 299.1655 219.5143 243.4310 759363.3489 -11.3875 -11.4078 PRESSURE: 2906000 -183.152 250.139 -296.796 250.14 -122.833 -86.0097 -296.797 -86.0093 -212.459 GPRESSURE: 2906000 -172.796 334.065 -263.619 255.731 -88.9836 -54.392 -409.287 -26.9655 -151.77 PRESSAVG: 2906000 -7.79266 22.0113 -34.7922 22.0113 32.4434 -18.9057 -34.7922 -18.9058 -11.9601 GPRESSAVG: 2906000 -7.40422 24.3264 -34.3507 20.9232 30.875 -19.0376 -35.3329 -18.5615 -10.9757 TIMING: 2906000 CPU: 9248.34, 0.00312177/step Wall: 9248.34, 0.00312177/step, 1.81583 hours remaining, 239.324219 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: 2906000 4035.8336 20655.6192 14472.3506 245.3497 -203449.2763 2259.0937 0.0000 0.0000 51864.0415 -109916.9880 298.0634 -161781.0295 -109556.3721 298.7578 -172.8148 -137.8499 759364.0279 4.2302 4.1650 PRESSURE: 2906200 85.968 78.2632 -277.709 78.2629 -1.16398 183.092 -277.709 183.094 -146.059 GPRESSURE: 2906200 129.178 96.5621 -197.34 103.999 44.0452 224.144 -275.634 266.969 -158.392 PRESSAVG: 2906200 -6.11377 -7.74177 -33.2675 -7.74174 37.0102 -23.6902 -33.2675 -23.6903 11.7534 GPRESSAVG: 2906200 -6.77522 -9.42034 -35.3112 -7.35046 38.3933 -23.2435 -32.7975 -23.7726 10.8516 TIMING: 2906200 CPU: 9248.96, 0.00314364/step Wall: 9248.96, 0.00314364/step, 1.82838 hours remaining, 239.324219 MB of memory in use. ENERGY: 2906200 3983.6264 20345.4976 14433.8295 250.8151 -203431.0637 2608.5430 0.0000 0.0000 51767.9357 -110040.8164 297.5110 -161808.7521 -109672.4801 298.5748 -20.4184 4.9434 760264.7347 14.2166 14.1565 PRESSURE: 2906400 79.258 115.949 -149.055 115.95 -227.197 27.0395 -149.056 27.0406 220.184 GPRESSURE: 2906400 152.715 72.5274 -161.765 101.643 -194.871 -24.4452 -225.748 65.6803 181.212 PRESSAVG: 2906400 5.68243 -22.7367 -16.8454 -22.7366 -34.2835 38.9666 -16.8454 38.9666 -11.8902 GPRESSAVG: 2906400 7.69814 -20.4327 -15.5786 -23.59 -35.9706 40.1435 -18.0407 36.4743 -12.7685 TIMING: 2906400 CPU: 9249.59, 0.00313838/step Wall: 9249.59, 0.00313838/step, 1.82514 hours remaining, 239.324219 MB of memory in use. ENERGY: 2906400 3885.6711 20671.5803 14433.7417 261.7223 -203337.5958 2429.1281 0.0000 0.0000 51803.5619 -109852.1906 297.7158 -161655.7524 -109508.4599 298.5646 24.0816 46.3519 760588.8433 -13.4971 -13.6803 PRESSURE: 2906600 -73.5287 31.5752 -199.722 31.5743 -154.162 -62.7789 -199.722 -62.7795 170.443 GPRESSURE: 2906600 -24.2818 25.2709 -280.632 -68.6997 -114.577 3.39175 -132.109 -74.1635 184.902 PRESSAVG: 2906600 27.4451 -51.2621 -19.5129 -51.2621 -17.0418 -1.84608 -19.5129 -1.84602 -27.937 GPRESSAVG: 2906600 25.9449 -53.2648 -22.2615 -51.0494 -16.6209 -3.85675 -18.1558 -0.330423 -26.6295 TIMING: 2906600 CPU: 9250.22, 0.00315709/step Wall: 9250.22, 0.00315709/step, 1.83585 hours remaining, 239.324219 MB of memory in use. ENERGY: 2906600 3940.8720 20549.9397 14450.8580 248.0482 -203577.9830 2465.1109 0.0000 0.0000 51897.6529 -110025.5012 298.2565 -161923.1541 -109664.6213 298.5742 -19.0823 15.3480 757531.6597 -5.8446 -5.7685 PRESSURE: 2906800 32.3626 274.915 -150.857 274.915 68.9945 7.20888 -150.857 7.20855 24.9009 GPRESSURE: 2906800 2.68343 163.063 -84.1124 166.855 139.421 -32.7803 -45.0723 157.868 83.0103 PRESSAVG: 2906800 45.76 -17.9293 -15.2363 -17.9293 -8.55081 29.1032 -15.2363 29.1032 1.7313 GPRESSAVG: 2906800 44.7754 -18.3129 -14.3544 -17.3292 -7.4503 30.2248 -13.7689 28.9715 1.97192 TIMING: 2906800 CPU: 9250.86, 0.00316275/step Wall: 9250.86, 0.00316275/step, 1.83897 hours remaining, 239.324219 MB of memory in use. ENERGY: 2906800 3998.0271 20431.7178 14448.7705 250.1322 -203470.6713 2517.7303 0.0000 0.0000 51925.6661 -109898.6272 298.4175 -161824.2933 -109543.1429 298.1530 42.0860 75.0382 759711.1009 12.9802 13.0990 PRESSURE: 2907000 -277.852 -77.7439 -79.3099 -77.7436 119.445 -231.962 -79.3112 -231.961 -281.33 GPRESSURE: 2907000 -158.392 -169.383 -128.67 -119.882 58.9036 -171.308 -41.0303 -287.823 -254.274 PRESSAVG: 2907000 46.969 20.3672 -31.0921 20.3672 -32.9715 1.95164 -31.0921 1.95165 14.7647 GPRESSAVG: 2907000 48.1128 20.8124 -29.7203 19.6968 -33.6101 3.79023 -33.1456 0.116383 13.843 TIMING: 2907000 CPU: 9251.49, 0.00316275/step Wall: 9251.49, 0.00316275/step, 1.83879 hours remaining, 239.324219 MB of memory in use. ENERGY: 2907000 4024.6556 20364.8626 14478.7312 248.7558 -203258.5006 2167.0108 0.0000 0.0000 52242.9063 -109731.5783 300.2407 -161974.4846 -109359.8284 298.7479 -146.5787 -117.9207 759902.5470 9.5874 9.4486 PRESSURE: 2907200 263.058 -253.889 41.727 -253.89 -176.568 18.6517 41.7269 18.6513 192.903 GPRESSURE: 2907200 258.155 -247.086 120.612 -180.09 -102.406 -14.9558 146.43 40.0275 222.908 PRESSAVG: 2907200 9.788 16.5984 -52.4654 16.5984 -32.0176 24.9945 -52.4654 24.9945 -10.3429 GPRESSAVG: 2907200 9.03 16.2615 -50.8742 16.7863 -31.6372 23.1848 -52.069 23.4019 -10.4649 TIMING: 2907200 CPU: 9252.12, 0.00314196/step Wall: 9252.12, 0.00314196/step, 1.82652 hours remaining, 239.324219 MB of memory in use. ENERGY: 2907200 4027.8271 20507.7002 14517.7776 235.2811 -203530.0423 2599.2223 0.0000 0.0000 52115.5830 -109526.6509 299.5090 -161642.2340 -109163.8352 299.3713 93.1311 126.2187 758995.9242 -10.8575 -11.0240 PRESSURE: 2907400 -543.208 -68.419 -49.8338 -68.4189 -30.6302 -130.99 -49.8331 -130.989 -178.35 GPRESSURE: 2907400 -569.923 -8.55102 -33.565 -32.9895 26.766 -136.846 -18.5874 -122.096 -118.137 PRESSAVG: 2907400 -6.88112 26.505 -49.5675 26.505 35.0806 -3.56838 -49.5675 -3.56846 16.1435 GPRESSAVG: 2907400 -7.11376 27.2084 -49.2109 25.9133 35.1066 -3.7051 -49.8246 0.0642552 16.412 TIMING: 2907400 CPU: 9252.74, 0.00314034/step Wall: 9252.74, 0.00314034/step, 1.82541 hours remaining, 239.324219 MB of memory in use. ENERGY: 2907400 4009.0730 20500.0671 14445.0054 244.2368 -203850.8206 2881.9294 0.0000 0.0000 52175.7669 -109594.7420 299.8548 -161770.5089 -109227.4469 299.3456 -250.7296 -220.4315 759876.3743 14.7810 14.8016 PRESSURE: 2907600 -97.0515 77.7093 -216.359 77.7088 -26.6268 69.3197 -216.359 69.3201 122.982 GPRESSURE: 2907600 25.8806 54.87 -250.05 -7.84451 29.1774 76.6392 -236.384 -41.3727 32.9465 PRESSAVG: 2907600 -8.66609 5.91209 3.5026 5.9121 39.3561 6.1168 3.50259 6.1168 -7.15756 GPRESSAVG: 2907600 -7.36508 5.10943 0.690204 6.18422 38.004 6.08714 4.22891 6.49702 -7.52949 TIMING: 2907600 CPU: 9253.37, 0.0031295/step Wall: 9253.37, 0.0031295/step, 1.81894 hours remaining, 239.324219 MB of memory in use. ENERGY: 2907600 3982.8156 20354.5777 14447.1558 246.4589 -203437.6812 2646.4797 0.0000 0.0000 51980.0403 -109780.1532 298.7300 -161760.1935 -109415.3618 298.8223 -0.2322 29.3348 761956.1112 7.8441 7.7031 PRESSURE: 2907800 136.307 16.0418 27.3645 16.041 32.5196 -81.9351 27.3645 -81.9343 84.1539 GPRESSURE: 2907800 239.962 -43.6345 -32.3277 20.4194 59.6879 -144.68 24.2725 -129.725 52.0814 PRESSAVG: 2907800 12.852 -22.2939 -23.0054 -22.2939 11.2953 -27.2615 -23.0054 -27.2615 -9.20088 GPRESSAVG: 2907800 12.4049 -22.6036 -22.3416 -20.8753 11.7938 -28.0485 -23.4944 -28.2699 -9.33063 TIMING: 2907800 CPU: 9254, 0.00313817/step Wall: 9254, 0.00313817/step, 1.8238 hours remaining, 239.324219 MB of memory in use. ENERGY: 2907800 3978.8185 20363.7435 14515.3772 257.1301 -203551.6493 2642.9376 0.0000 0.0000 52038.8370 -109754.8055 299.0679 -161793.6424 -109387.7583 298.6291 84.3267 117.2436 761070.0411 4.9821 4.9560 PRESSURE: 2908000 -399.872 -22.2486 -38.7822 -22.2497 -196.419 -66.549 -38.7829 -66.5497 -155.251 GPRESSURE: 2908000 -244.696 33.1467 -17.3489 19.8598 -239.539 -19.7425 49.0466 -79.0519 -204.947 PRESSAVG: 2908000 21.8549 -26.4309 -2.802 -26.4309 1.5433 -24.6331 -2.80197 -24.6331 8.37492 GPRESSAVG: 2908000 22.0108 -26.9198 -2.49399 -27.1354 0.715017 -23.9073 -1.61119 -24.6383 9.25616 TIMING: 2908000 CPU: 9254.63, 0.0031581/step Wall: 9254.63, 0.0031581/step, 1.83521 hours remaining, 239.324219 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: 2908000 4032.8807 20530.7434 14467.5244 254.4660 -203593.3935 2361.9076 0.0000 0.0000 52087.8167 -109858.0548 299.3494 -161945.8714 -109496.8049 298.8818 -250.5138 -229.7276 760182.9904 10.5911 10.6607 PRESSURE: 2908200 -93.9149 38.9319 -156.977 38.9309 -69.2705 -326.041 -156.976 -326.041 230.751 GPRESSURE: 2908200 -32.5586 -12.977 -175.296 54.5721 4.99005 -203.333 -161.387 -366.83 174.389 PRESSAVG: 2908200 -13.1232 12.1964 -32.7167 12.1964 40.3054 -16.5722 -32.7167 -16.5721 7.9517 GPRESSAVG: 2908200 -12.5672 13.7436 -30.9198 11.8268 41.1625 -16.6902 -33.7959 -15.8314 6.34653 TIMING: 2908200 CPU: 9255.26, 0.00315581/step Wall: 9255.26, 0.00315581/step, 1.8337 hours remaining, 239.324219 MB of memory in use. ENERGY: 2908200 3945.9203 20311.7519 14502.9536 258.2416 -203412.7693 2561.9184 0.0000 0.0000 52025.3074 -109806.6761 298.9902 -161831.9835 -109444.5589 298.3932 22.5219 48.9402 761120.2253 11.7113 11.6473 LDB: ============= START OF LOAD BALANCING ============== 9267.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9267.71 LDB: =============== DONE WITH MIGRATION ================ 9267.71 LDB: ============= START OF LOAD BALANCING ============== 9268.03 LDB: Largest compute 7025 load 0.033540 is 17.2% of average load 0.195399 LDB: Average compute 0.004374 is 2.2% of average load 0.195399 LDB: TIME 9268.03 LOAD: AVG 0.195399 MAX 0.218048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.375 MB LDB: TIME 9268.03 LOAD: AVG 0.195399 MAX 0.218048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: TIME 9268.03 LOAD: AVG 0.195399 MAX 0.218048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: ============== END OF LOAD BALANCING =============== 9268.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9268.04 PRESSURE: 2908400 -47.0832 218.94 76.1686 218.94 -97.7843 6.73681 76.1684 6.73739 232.519 GPRESSURE: 2908400 -28.4645 216.214 59.0951 121.102 -38.2678 -21.0483 58.4445 25.4105 215.196 PRESSAVG: 2908400 -31.7698 -8.40694 -7.85793 -8.40694 15.344 -17.7835 -7.8579 -17.7835 7.59626 GPRESSAVG: 2908400 -33.6551 -8.15611 -9.14086 -9.45379 16.3855 -16.8165 -7.97752 -18.6304 8.1712 TIMING: 2908400 CPU: 9255.9, 0.00321026/step Wall: 9255.9, 0.00321026/step, 1.86516 hours remaining, 239.324219 MB of memory in use. ENERGY: 2908400 3928.9531 20433.9275 14443.0202 256.5229 -203055.9970 2238.4535 0.0000 0.0000 51701.3891 -110053.7308 297.1286 -161755.1198 -109689.5172 298.3607 29.2173 49.4877 760550.7418 -2.9431 -3.0328 PRESSURE: 2908600 -27.2444 -34.1929 -16.3078 -34.193 190.254 24.0815 -16.3082 24.0816 -100.872 GPRESSURE: 2908600 50.4023 -36.0335 -46.0526 -46.4597 187.869 -11.8075 52.2921 -16.6582 -92.59 PRESSAVG: 2908600 -4.41721 10.923 -21.9227 10.923 6.37279 -26.9629 -21.9228 -26.9629 13.0562 GPRESSAVG: 2908600 -3.23939 10.6041 -22.5218 10.8652 5.5524 -28.0862 -21.7212 -26.1564 13.0452 TIMING: 2908600 CPU: 9256.53, 0.00314515/step Wall: 9256.53, 0.00314515/step, 1.82715 hours remaining, 239.527344 MB of memory in use. ENERGY: 2908600 3976.6144 20580.6623 14454.8645 223.8085 -203505.4572 2433.7355 0.0000 0.0000 52024.7859 -109810.9861 298.9872 -161835.7720 -109441.6371 298.3916 20.7125 48.5606 759584.4377 5.0039 5.1194 PRESSURE: 2908800 54.8215 60.9317 9.17724 60.9316 167.053 -38.1549 9.17698 -38.1555 -156.033 GPRESSURE: 2908800 157.461 -45.5988 -17.6486 33.5077 95.2228 -11.7234 26.9911 -74.8223 -109.377 PRESSAVG: 2908800 40.725 -33.2551 43.453 -33.2551 -18.1925 45.6555 43.453 45.6555 17.8616 GPRESSAVG: 2908800 40.6634 -32.7936 43.5816 -32.7195 -18.1544 45.035 44.3829 44.5795 18.1852 TIMING: 2908800 CPU: 9257.16, 0.00314704/step Wall: 9257.16, 0.00314704/step, 1.82808 hours remaining, 239.527344 MB of memory in use. ENERGY: 2908800 4019.6213 20628.5145 14432.7761 257.5759 -203746.3228 2783.4162 0.0000 0.0000 51792.7456 -109831.6733 297.6536 -161624.4189 -109469.7432 298.4599 21.9471 47.7691 761566.9683 13.4647 13.5647 PRESSURE: 2909000 -280.598 -62.1949 -35.7771 -62.1944 -128.862 3.25621 -35.7772 3.2564 -223.815 GPRESSURE: 2909000 -232.104 -74.3584 57.4468 -62.604 -114.271 -21.6654 -63.6903 57.4096 -185.112 PRESSAVG: 2909000 -54.4958 -3.96843 -52.4178 -3.96843 26.8686 25.2445 -52.4178 25.2444 6.82411 GPRESSAVG: 2909000 -54.7364 -3.71136 -52.2917 -5.06083 27.1731 25.6753 -52.774 26.1367 7.93815 TIMING: 2909000 CPU: 9257.79, 0.00315771/step Wall: 9257.79, 0.00315771/step, 1.8341 hours remaining, 239.527344 MB of memory in use. ENERGY: 2909000 4029.9408 20311.4132 14470.4987 238.2766 -203166.0943 2245.9399 0.0000 0.0000 51972.6337 -109897.3913 298.6874 -161870.0250 -109542.3730 298.5901 -211.0919 -177.1622 761171.6199 -6.9344 -6.5417 PRESSURE: 2909200 226.003 -324.511 -38.8725 -324.51 213.603 63.6662 -38.8729 63.6661 263.285 GPRESSURE: 2909200 238.543 -317.432 -23.0232 -194.828 250.941 16.6306 -50.1234 130.029 290.193 PRESSAVG: 2909200 -61.0853 17.2934 -12.7079 17.2934 -5.01955 76.4036 -12.7079 76.4036 2.82603 GPRESSAVG: 2909200 -59.8414 16.2148 -12.8672 19.8509 -5.73105 75.9164 -12.3778 76.4286 2.36847 TIMING: 2909200 CPU: 9258.42, 0.00314816/step Wall: 9258.42, 0.00314816/step, 1.82838 hours remaining, 239.527344 MB of memory in use. ENERGY: 2909200 3948.4994 20414.7373 14416.9051 234.4223 -203670.4848 2933.4959 0.0000 0.0000 52012.7572 -109709.6676 298.9180 -161722.4248 -109353.9080 298.0799 234.2966 259.8926 762305.6164 -21.0929 -21.0680 PRESSURE: 2909400 -82.6199 59.9343 -195.208 59.9355 148.295 28.5446 -195.208 28.5451 528.372 GPRESSURE: 2909400 -8.09927 130.982 -176.399 82.4399 166.475 42.9283 -275.16 -91.9318 512.317 PRESSAVG: 2909400 11.0074 -8.80195 28.6179 -8.80198 54.1337 25.8877 28.6179 25.8876 4.63573 GPRESSAVG: 2909400 9.98106 -7.97482 28.2087 -10.9451 55.6826 26.8145 28.0264 25.9165 3.37835 TIMING: 2909400 CPU: 9259.05, 0.00313513/step Wall: 9259.05, 0.00313513/step, 1.82064 hours remaining, 239.527344 MB of memory in use. ENERGY: 2909400 3980.3105 20321.0812 14523.0539 247.8370 -203125.2535 2373.9851 0.0000 0.0000 52047.3339 -109631.6518 299.1167 -161678.9857 -109269.6592 298.8442 198.0157 223.5643 759229.8231 23.2589 23.0140 PRESSURE: 2909600 206.661 85.4941 113.163 85.4943 -217.305 31.3921 113.163 31.3913 -67.8159 GPRESSURE: 2909600 265.277 89.7507 168.49 13.4383 -184.767 91.7553 65.0115 -51.7703 -61.6332 PRESSAVG: 2909600 47.8706 41.3647 -5.6746 41.3648 -32.5144 -7.77526 -5.67463 -7.7752 -7.14769 GPRESSAVG: 2909600 47.1034 42.3342 -5.53347 41.2654 -33.0061 -8.96425 -6.56746 -7.30732 -6.1216 TIMING: 2909600 CPU: 9259.68, 0.00313305/step Wall: 9259.68, 0.00313305/step, 1.81926 hours remaining, 239.527344 MB of memory in use. ENERGY: 2909600 4008.3740 20379.3370 14435.6464 255.2157 -203011.2694 2235.0527 0.0000 0.0000 51981.7785 -109715.8651 298.7400 -161697.6435 -109350.0391 298.7723 -26.1532 6.2921 761939.8424 2.7361 2.6586 PRESSURE: 2909800 -165.945 -136.556 126.611 -136.556 -196.439 -395.187 126.611 -395.188 -122.775 GPRESSURE: 2909800 -178.731 -124.869 78.4024 -98.5759 -127.687 -442.817 -3.00444 -227.387 -90.5865 PRESSAVG: 2909800 -24.8301 -49.7965 1.80224 -49.7965 36.5652 11.7434 1.80225 11.7434 3.10448 GPRESSAVG: 2909800 -24.4696 -50.1262 2.47138 -48.6759 36.7576 13.743 3.27743 9.36271 2.52098 TIMING: 2909800 CPU: 9260.3, 0.0031311/step Wall: 9260.3, 0.0031311/step, 1.81795 hours remaining, 239.527344 MB of memory in use. ENERGY: 2909800 3905.4485 20464.7058 14453.1294 265.2470 -203305.5617 2370.8074 0.0000 0.0000 52018.4476 -109827.7760 298.9507 -161846.2237 -109459.9526 298.3743 -161.7193 -132.3348 761932.7363 4.9465 4.9363 PRESSURE: 2910000 312.761 -160.483 -129.979 -160.482 234.498 362.903 -129.979 362.904 -91.037 GPRESSURE: 2910000 280.745 -97.1831 -106.441 -198.019 313.707 322.256 -7.5121 269.965 -59.431 PRESSAVG: 2910000 7.84379 -24.9234 28.1178 -24.9233 0.745272 39.8383 28.1178 39.8382 -3.15128 GPRESSAVG: 2910000 8.11164 -23.8495 26.8914 -25.532 1.35192 37.0661 27.7721 41.2456 -4.23246 TIMING: 2910000 CPU: 9260.93, 0.00315757/step Wall: 9260.93, 0.00315757/step, 1.83314 hours remaining, 239.527344 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: 2910000 4009.7352 20467.8420 14429.2149 251.3727 -203408.8414 2529.7961 0.0000 0.0000 51958.5956 -109762.2849 298.6068 -161720.8805 -109405.7478 298.6946 152.0742 178.3405 759875.7224 1.8126 1.7437 PRESSURE: 2910200 76.7763 45.2952 -187.263 45.2949 14.2648 -119.318 -187.264 -119.318 164.402 GPRESSURE: 2910200 120.262 -38.6729 -205.463 116.756 -71.6382 -52.4015 -16.5826 -81.1357 286.257 PRESSAVG: 2910200 11.3952 -13.1617 -6.35702 -13.1617 -6.23087 48.8377 -6.35701 48.8377 5.58224 GPRESSAVG: 2910200 10.8324 -14.6728 -3.22864 -12.775 -5.43324 51.027 -7.00856 48.2993 5.75003 TIMING: 2910200 CPU: 9261.56, 0.00313701/step Wall: 9261.56, 0.00313701/step, 1.82104 hours remaining, 239.527344 MB of memory in use. ENERGY: 2910200 3979.0511 20708.9757 14441.9700 249.6430 -203389.5951 2699.4278 0.0000 0.0000 51717.2567 -109593.2708 297.2198 -161310.5275 -109238.8633 299.0772 85.1476 111.6269 761648.6804 3.5822 3.7164 PRESSURE: 2910400 32.193 68.5689 80.1843 68.5685 41.5185 -129.315 80.1848 -129.316 -149.198 GPRESSURE: 2910400 42.5962 36.4553 117.277 25.0645 74.9705 -144.629 60.5253 -181.319 -98.3221 PRESSAVG: 2910400 -40.1232 14.6941 -2.65276 14.6941 48.318 -14.0201 -2.65273 -14.0203 5.7026 GPRESSAVG: 2910400 -39.8436 15.0831 -4.49419 13.6691 47.6492 -16.0301 -2.09332 -11.2879 5.95656 TIMING: 2910400 CPU: 9262.19, 0.00316147/step Wall: 9262.19, 0.00316147/step, 1.83505 hours remaining, 239.527344 MB of memory in use. ENERGY: 2910400 4047.9084 20425.4000 14490.4056 257.0885 -203398.7878 2728.8695 0.0000 0.0000 51951.1716 -109497.9442 298.5641 -161449.1158 -109132.6545 298.9651 -25.1622 6.4149 761382.4252 4.6325 4.5874 PRESSURE: 2910600 -19.8408 39.2765 -125.642 39.2761 -102.816 314.353 -125.643 314.352 48.7813 GPRESSURE: 2910600 -36.3651 11.7682 -143.251 -99.3337 35.09 220.171 -77.4803 106.42 -7.85424 PRESSAVG: 2910600 -68.7161 0.925897 -4.0983 0.925958 55.5271 -23.9446 -4.09834 -23.9446 24.8917 GPRESSAVG: 2910600 -69.7599 1.75052 -5.16813 0.21443 56.0831 -22.0293 -3.71251 -26.3142 24.9483 TIMING: 2910600 CPU: 9262.83, 0.0031651/step Wall: 9262.83, 0.0031651/step, 1.83699 hours remaining, 239.527344 MB of memory in use. ENERGY: 2910600 3869.0458 20580.9220 14478.9959 234.1944 -203240.2287 2527.3238 0.0000 0.0000 52130.4867 -109419.2600 299.5946 -161549.7467 -109057.0435 299.1505 -24.6251 -3.0431 761860.1036 3.9009 3.7572 PRESSURE: 2910800 -24.9719 116.506 71.5738 116.506 69.5559 -216.705 71.574 -216.705 -69.2284 GPRESSURE: 2910800 35.5456 157.998 47.2515 148.309 36.9947 -194.189 216.134 -146.176 4.67732 PRESSAVG: 2910800 8.64233 46.9577 -24.4463 46.9578 -23.5507 -9.68443 -24.4463 -9.68452 8.03959 GPRESSAVG: 2910800 10.818 46.4726 -22.5029 48.3574 -24.1396 -9.4228 -24.3526 -10.22 6.42639 TIMING: 2910800 CPU: 9263.46, 0.00315564/step Wall: 9263.46, 0.00315564/step, 1.83132 hours remaining, 239.527344 MB of memory in use. ENERGY: 2910800 3903.9424 20491.7823 14415.1981 237.2621 -202953.1214 2486.0857 0.0000 0.0000 52168.5186 -109250.3322 299.8132 -161418.8508 -108883.6834 299.5742 -8.2148 25.7392 762327.5440 -2.2896 -2.2984 PRESSURE: 2911000 201.877 -131.851 286.518 -131.851 87.2543 -90.0069 286.518 -90.0076 259.896 GPRESSURE: 2911000 210.864 -42.3608 202.727 -143.43 37.9933 -37.2121 142.988 -51.7437 400.778 PRESSAVG: 2911000 20.7709 21.1861 -11.1181 21.186 -14.5496 33.4077 -11.1181 33.4077 1.03875 GPRESSAVG: 2911000 19.9213 21.5167 -11.2089 19.177 -14.0872 33.161 -10.6765 35.98 1.30943 TIMING: 2911000 CPU: 9264.09, 0.00313546/step Wall: 9264.09, 0.00313546/step, 1.81944 hours remaining, 239.527344 MB of memory in use. ENERGY: 2911000 4012.1539 20365.8477 14443.5770 251.2844 -203388.6303 2752.0553 0.0000 0.0000 52259.2275 -109304.4845 300.3345 -161563.7121 -108948.7985 299.7593 183.0090 216.5451 763112.4789 2.4200 2.3812 PRESSURE: 2911200 60.9322 88.2163 -25.439 88.2174 -190.207 -153.857 -25.4391 -153.857 -171.942 GPRESSURE: 2911200 109.976 52.6078 18.6262 116.974 -81.7754 -111.788 11.7395 -123.695 -230.083 PRESSAVG: 2911200 -65.9017 21.8046 8.71677 21.8045 80.3136 35.1228 8.71681 35.1228 -5.09291 GPRESSAVG: 2911200 -66.4356 21.0915 7.96141 23.4466 80.1635 35.7178 6.6276 35.882 -3.69186 TIMING: 2911200 CPU: 9264.71, 0.00311794/step Wall: 9264.71, 0.00311794/step, 1.8091 hours remaining, 239.527344 MB of memory in use. ENERGY: 2911200 3990.7980 20443.0478 14465.6731 262.1392 -203136.7520 2479.7128 0.0000 0.0000 52239.3544 -109256.0268 300.2203 -161495.3812 -108890.4200 299.3452 -100.4056 -67.2939 761906.5912 3.1063 3.3453 PRESSURE: 2911400 -49.7777 -191.013 -263.451 -191.012 -457.731 59.4692 -263.45 59.4703 -183.809 GPRESSURE: 2911400 23.5177 -0.499198 -213.268 -138.823 -422.36 35.6561 -348.687 -67.7452 -208.168 PRESSAVG: 2911400 -25.2957 -2.68971 41.6047 -2.68971 24.7932 6.88429 41.6047 6.8842 3.37296 GPRESSAVG: 2911400 -24.992 -3.23758 41.3979 -2.74736 24.5708 6.77532 43.6878 4.50275 3.22223 TIMING: 2911400 CPU: 9265.34, 0.00314895/step Wall: 9265.34, 0.00314895/step, 1.82692 hours remaining, 239.527344 MB of memory in use. ENERGY: 2911400 4009.4489 20472.1373 14483.2241 241.2209 -202864.2146 2301.9741 0.0000 0.0000 51878.1068 -109478.1025 298.1442 -161356.2093 -109122.8582 299.4623 -230.4393 -202.3368 761169.3344 0.9568 0.9337 PRESSURE: 2911600 -146.027 80.6375 20.1061 80.6374 183.555 -118.959 20.1062 -118.959 104.295 GPRESSURE: 2911600 8.21899 84.1814 6.94861 79.6223 180.995 -128.346 -78.8234 19.142 43.9446 PRESSAVG: 2911600 27.2256 39.4108 -46.999 39.4107 -42.4783 35.958 -46.999 35.9581 9.59974 GPRESSAVG: 2911600 27.8392 40.6537 -45.957 39.0039 -42.7112 35.0084 -47.8574 34.3586 9.90333 TIMING: 2911600 CPU: 9265.96, 0.00312216/step Wall: 9265.96, 0.00312216/step, 1.8112 hours remaining, 239.527344 MB of memory in use. ENERGY: 2911600 3989.4772 20417.4455 14388.3781 236.9108 -203113.0472 2564.7569 0.0000 0.0000 52045.9041 -109470.1747 299.1085 -161516.0788 -109107.6568 298.5667 47.2743 77.7196 761358.1505 -1.8843 -1.6562 PRESSURE: 2911800 -142.306 -95.7352 -70.6918 -95.7362 -423.005 -225.693 -70.6917 -225.692 208.646 GPRESSURE: 2911800 -109.455 -174.646 -64.496 -70.9872 -448.43 -227.358 -50.075 -164.311 291.696 PRESSAVG: 2911800 27.5065 -31.2551 -54.1565 -31.2551 -23.4081 -4.37878 -54.1565 -4.3788 12.1644 GPRESSAVG: 2911800 28.1927 -33.1018 -54.5294 -31.7267 -24.7269 -4.61694 -53.0118 -4.04724 13.2993 TIMING: 2911800 CPU: 9266.59, 0.00312202/step Wall: 9266.59, 0.00312202/step, 1.81095 hours remaining, 239.527344 MB of memory in use. ENERGY: 2911800 4008.1341 20348.0492 14389.3331 239.0378 -202662.0962 2457.1628 0.0000 0.0000 51898.0320 -109322.3471 298.2587 -161220.3791 -108968.6806 299.2836 -118.8884 -88.7295 761347.2888 5.4209 5.5884 PRESSURE: 2912000 152.784 -33.1574 -7.8518 -33.1572 5.77719 210.132 -7.85333 210.132 130.196 GPRESSURE: 2912000 109.033 -55.0954 -111.911 68.3589 121.947 160.042 -90.8969 23.6591 157.397 PRESSAVG: 2912000 47.5566 -7.7879 -9.46578 -7.78791 -63.5925 8.00885 -9.46584 8.00888 -0.933941 GPRESSAVG: 2912000 48.2852 -7.36773 -9.28894 -7.51957 -62.3699 9.32954 -10.2188 7.10695 -2.27303 TIMING: 2912000 CPU: 9267.22, 0.00314021/step Wall: 9267.22, 0.00314021/step, 1.82132 hours remaining, 239.527344 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: 2912000 3942.8888 20549.2458 14419.9937 219.7411 -202972.8298 2397.2849 0.0000 0.0000 52199.4606 -109244.2147 299.9910 -161443.6754 -108881.1242 299.9324 96.2524 129.4593 761082.0953 -5.6566 -5.4526 PRESSURE: 2912200 33.7837 -176.804 -149.612 -176.803 170.355 32.9608 -149.612 32.9614 102.205 GPRESSURE: 2912200 19.7262 -40.674 -111.221 -157.607 297.683 40.1742 -99.2412 -49.9383 82.8381 PRESSAVG: 2912200 -20.8364 -26.8052 -38.2255 -26.8052 42.6004 6.14285 -38.2254 6.14288 -6.29937 GPRESSAVG: 2912200 -21.5647 -26.6659 -37.9662 -26.4847 42.2854 6.60963 -39.4433 6.82077 -5.80665 TIMING: 2912200 CPU: 9267.85, 0.0031534/step Wall: 9267.85, 0.0031534/step, 1.8288 hours remaining, 239.527344 MB of memory in use. ENERGY: 2912200 3967.5247 20432.9267 14437.6450 253.7266 -203086.5801 2494.2426 0.0000 0.0000 52142.5880 -109357.9266 299.6642 -161500.5146 -108992.7359 299.5369 102.1145 133.4157 761692.0091 5.1549 4.9713 LDB: ============= START OF LOAD BALANCING ============== 9280.3 LDB: ============== END OF LOAD BALANCING =============== 9280.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9280.3 LDB: ============= START OF LOAD BALANCING ============== 9280.62 LDB: Largest compute 7038 load 0.033937 is 17.4% of average load 0.195357 LDB: Average compute 0.004383 is 2.2% of average load 0.195357 LDB: TIME 9280.62 LOAD: AVG 0.195357 MAX 0.21723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9280.62 LOAD: AVG 0.195357 MAX 0.21723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 9280.62 LOAD: AVG 0.195357 MAX 0.21723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 9280.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9280.63 PRESSURE: 2912400 -516.17 69.0925 -41.4419 69.0931 -261.634 -39.6163 -41.4432 -39.6162 -263.989 GPRESSURE: 2912400 -476.193 85.1996 -42.4117 -85.8239 -279.62 14.8552 -7.29717 -55.38 -195.822 PRESSAVG: 2912400 -14.8277 -22.593 -30.2026 -22.593 -6.44667 33.043 -30.2026 33.043 8.01194 GPRESSAVG: 2912400 -14.6529 -24.1624 -30.4205 -24.4362 -7.61549 32.9322 -27.5747 35.9795 8.49385 TIMING: 2912400 CPU: 9268.49, 0.00323718/step Wall: 9268.49, 0.00323718/step, 1.87721 hours remaining, 239.960938 MB of memory in use. ENERGY: 2912400 4042.0910 20593.6741 14355.2916 249.8539 -203196.7944 2440.0308 0.0000 0.0000 52246.5808 -109269.2720 300.2618 -161515.8528 -108911.2881 299.7098 -347.2645 -317.2116 760312.4515 -4.4208 -4.5915 PRESSURE: 2912600 27.1124 53.5999 -4.63317 53.6009 -120.399 -22.5816 -4.63313 -22.5812 56.3309 GPRESSURE: 2912600 16.7421 32.0643 68.321 174.496 -112.253 39.0098 58.7797 -0.990286 139.27 PRESSAVG: 2912600 -20.512 0.0189094 -57.3675 0.0189581 -1.87086 15.9601 -57.3675 15.9601 9.293 GPRESSAVG: 2912600 -20.5545 1.23321 -59.1403 2.24316 -1.13503 16.3833 -56.5056 14.3298 7.89491 TIMING: 2912600 CPU: 9269.12, 0.00314416/step Wall: 9269.12, 0.00314416/step, 1.82309 hours remaining, 239.960938 MB of memory in use. ENERGY: 2912600 3862.1637 20407.2129 14446.3902 225.8962 -203226.0955 2647.8299 0.0000 0.0000 52338.9997 -109297.6029 300.7930 -161636.6027 -108934.6918 299.6742 -12.3185 14.5862 760137.5251 -4.3633 -4.5982 PRESSURE: 2912800 102.737 26.7012 169.587 26.7019 -78.7878 -148.529 169.587 -148.529 -300.516 GPRESSURE: 2912800 46.3305 114.175 131.055 86.7182 -27.5047 -178.477 191.64 -317.594 -206.055 PRESSAVG: 2912800 46.3419 10.3695 1.63747 10.3695 -45.75 -31.8106 1.63755 -31.8106 0.841845 GPRESSAVG: 2912800 45.5209 9.96994 3.35437 9.25514 -45.7032 -33.4241 0.361714 -31.4928 1.44056 TIMING: 2912800 CPU: 9269.75, 0.00312451/step Wall: 9269.75, 0.00312451/step, 1.81152 hours remaining, 239.960938 MB of memory in use. ENERGY: 2912800 3968.0196 20609.0363 14455.2600 262.9552 -203038.2830 2190.6273 0.0000 0.0000 52262.6520 -109289.7326 300.3542 -161552.3846 -108920.6459 300.0329 -92.1889 -62.4097 759017.7360 0.4779 0.4194 PRESSURE: 2913000 -276.067 26.7289 -169.518 26.7301 50.4139 -50.9523 -169.518 -50.9529 -23.1425 GPRESSURE: 2913000 -217.236 13.5165 -104.365 59.6009 85.9709 30.5519 -208.12 -182.054 -16.349 PRESSAVG: 2913000 -14.0166 23.9543 -8.17023 23.9543 -13.1059 21.9414 -8.17029 21.9414 2.14908 GPRESSAVG: 2913000 -14.4927 25.1881 -7.59693 22.9591 -13.0736 23.567 -9.82805 19.9119 2.27518 TIMING: 2913000 CPU: 9270.37, 0.00311657/step Wall: 9270.37, 0.00311657/step, 1.80675 hours remaining, 239.960938 MB of memory in use. ENERGY: 2913000 3929.7697 20662.2275 14418.9704 261.3141 -202866.5092 2195.9456 0.0000 0.0000 52130.4979 -109267.7840 299.5947 -161398.2819 -108906.0825 299.9706 -82.9318 -49.2046 760138.6619 -8.3245 -8.4304 PRESSURE: 2913200 -173.577 56.5039 -154.348 56.5044 126.762 18.7976 -154.349 18.7972 507.051 GPRESSURE: 2913200 -63.8779 78.4757 -99.039 152.829 87.248 29.4162 -66.1621 119.19 505.023 PRESSAVG: 2913200 3.11116 -17.3081 -43.2603 -17.308 -5.79838 -23.6991 -43.2603 -23.6991 -3.35649 GPRESSAVG: 2913200 2.34121 -16.3985 -42.9348 -16.0393 -6.52008 -24.76 -41.7461 -21.8244 -2.62522 TIMING: 2913200 CPU: 9271, 0.00313328/step Wall: 9271, 0.00313328/step, 1.81626 hours remaining, 239.960938 MB of memory in use. ENERGY: 2913200 3941.6617 20584.0791 14430.1690 239.2260 -203070.4835 2326.1470 0.0000 0.0000 52229.0391 -109320.1617 300.1610 -161549.2008 -108949.6463 299.9488 153.4119 176.1309 761602.3168 -2.0146 -2.2680 PRESSURE: 2913400 95.0669 -185.691 -72.2364 -185.691 68.3241 -12.7389 -72.2357 -12.7385 172.013 GPRESSURE: 2913400 97.4509 -245.345 -104.875 -163.022 84.1139 39.4164 -80.8083 26.2486 237.027 PRESSAVG: 2913400 -34.911 28.1194 -53.7338 28.1194 50.1758 21.4876 -53.7338 21.4876 5.33465 GPRESSAVG: 2913400 -34.4891 25.4936 -55.6716 27.0187 50.1182 21.9916 -53.4887 21.5109 4.84367 TIMING: 2913400 CPU: 9271.62, 0.00312788/step Wall: 9271.62, 0.00312788/step, 1.81295 hours remaining, 239.960938 MB of memory in use. ENERGY: 2913400 3883.7774 20645.7038 14422.5391 242.4481 -202935.2023 2525.7454 0.0000 0.0000 52099.8712 -109115.1174 299.4187 -161214.9886 -108759.3100 300.1444 111.8015 139.5305 760525.8555 6.8665 6.8243 PRESSURE: 2913600 66.6341 115.561 65.6343 115.56 -139.106 168.294 65.6343 168.294 428.613 GPRESSURE: 2913600 121.664 19.7706 26.6069 151.339 -141.84 115.115 -0.0879732 172.505 469.879 PRESSAVG: 2913600 -6.03616 -28.3523 7.93811 -28.3522 25.5697 2.29083 7.93805 2.29078 -12.8942 GPRESSAVG: 2913600 -5.2077 -26.9697 8.88798 -26.8981 24.3143 2.55673 7.5799 2.52878 -12.616 TIMING: 2913600 CPU: 9272.25, 0.0031342/step Wall: 9272.25, 0.0031342/step, 1.81644 hours remaining, 239.960938 MB of memory in use. ENERGY: 2913600 4053.1315 20551.9884 14443.0528 262.2668 -203047.7119 2472.9878 0.0000 0.0000 52143.9054 -109120.3793 299.6717 -161264.2847 -108768.6585 300.3695 118.7137 149.9012 759599.5452 2.2131 2.1635 PRESSURE: 2913800 203.73 77.2515 40.0371 77.2513 188.112 -167.04 40.0369 -167.04 18.6132 GPRESSURE: 2913800 273.165 -32.9197 -48.5338 50.6147 207.442 -65.2404 -41.4697 -87.6703 18.9439 PRESSAVG: 2913800 -32.7116 -1.96382 25.0243 -1.96378 27.194 17.096 25.0243 17.096 10.7046 GPRESSAVG: 2913800 -32.5154 -3.28805 23.9686 -1.21778 29.0581 16.1346 25.3966 17.5544 8.95201 TIMING: 2913800 CPU: 9272.88, 0.00313985/step Wall: 9272.88, 0.00313985/step, 1.81954 hours remaining, 239.960938 MB of memory in use. ENERGY: 2913800 3941.0594 20639.1562 14484.0584 255.4637 -203615.6070 2849.2270 0.0000 0.0000 52006.5531 -109440.0891 298.8824 -161446.6422 -109078.5011 299.6948 136.8184 166.5169 760729.7026 1.7290 1.8316 PRESSURE: 2914000 -352.247 182.938 145.841 182.939 -275.81 64.5857 145.841 64.5866 120.06 GPRESSURE: 2914000 -338.336 158.52 153.511 156.926 -213.775 2.17385 24.4243 -26.0925 140.326 PRESSAVG: 2914000 -22.7212 43.6381 -38.0354 43.6382 31.2622 -30.0787 -38.0354 -30.0787 -13.2289 GPRESSAVG: 2914000 -23.9026 42.6254 -36.9225 43.1351 31.089 -28.8476 -39.8163 -33.7981 -11.9644 TIMING: 2914000 CPU: 9273.5, 0.00312786/step Wall: 9273.5, 0.00312786/step, 1.81242 hours remaining, 239.960938 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: 2914000 4024.7859 20469.6555 14488.2103 239.4893 -203230.3588 2335.2145 0.0000 0.0000 51827.3739 -109845.6295 297.8526 -161673.0034 -109490.8233 298.7495 -169.3325 -137.2615 761299.9498 -1.5626 -1.5927 PRESSURE: 2914200 -29.0348 -26.5184 -359.241 -26.5191 128.591 -16.1964 -359.241 -16.1969 315.151 GPRESSURE: 2914200 -34.4014 40.1687 -357.136 -103.775 239.58 -59.1231 -279.777 -97.973 301.576 PRESSAVG: 2914200 9.89837 -47.8629 18.631 -47.8629 2.16639 48.514 18.631 48.514 3.26119 GPRESSAVG: 2914200 10.8847 -43.7841 20.2425 -47.5625 2.74596 46.9394 19.7548 50.6064 1.86331 TIMING: 2914200 CPU: 9274.13, 0.003136/step Wall: 9274.13, 0.003136/step, 1.81696 hours remaining, 239.960938 MB of memory in use. ENERGY: 2914200 3963.5555 20429.7268 14455.9469 244.0933 -203426.0308 2547.7936 0.0000 0.0000 51950.5123 -109834.4025 298.5603 -161784.9147 -109467.0599 298.6952 138.2360 168.9182 760673.6941 5.1086 5.1646 PRESSURE: 2914400 179.494 -150.016 -240.437 -150.016 -458.555 144.403 -240.438 144.403 -197.619 GPRESSURE: 2914400 89.0814 -32.328 -237.201 -132.666 -326.956 74.6551 -218.774 91.885 -159.155 PRESSAVG: 2914400 -36.6735 -40.6844 -14.45 -40.6845 30.3403 31.0834 -14.4501 31.0833 -17.2651 GPRESSAVG: 2914400 -35.4381 -41.0624 -14.7393 -41.6029 28.6908 32.4894 -13.1372 31.0192 -17.3005 TIMING: 2914400 CPU: 9274.76, 0.00312844/step Wall: 9274.76, 0.00312844/step, 1.81241 hours remaining, 239.960938 MB of memory in use. ENERGY: 2914400 3930.3783 20222.2775 14536.8732 243.1704 -203173.7383 2219.2262 0.0000 0.0000 52005.6651 -110016.1475 298.8773 -162021.8127 -109648.3742 298.0955 -158.8935 -132.3433 760460.4961 -7.8661 -8.0159 PRESSURE: 2914600 -405.021 28.5997 143.338 28.6002 -242.249 13.2324 143.338 13.2321 132.845 GPRESSURE: 2914600 -381.021 -17.186 84.7267 62.8663 -216.042 152.881 152.61 18.0128 160.374 PRESSAVG: 2914600 16.5894 -1.6817 -23.3087 -1.68168 -32.364 -3.53694 -23.3087 -3.53682 5.13837 GPRESSAVG: 2914600 15.2939 -4.26584 -25.2177 -0.541098 -31.4022 -4.15948 -23.5088 -2.68377 5.53659 TIMING: 2914600 CPU: 9275.38, 0.00313499/step Wall: 9275.38, 0.00313499/step, 1.81603 hours remaining, 239.960938 MB of memory in use. ENERGY: 2914600 3981.3033 20613.4494 14464.8168 242.4234 -203114.8544 2356.7998 0.0000 0.0000 51744.9867 -109711.0749 297.3792 -161456.0616 -109350.6075 298.4908 -171.4749 -145.5629 761123.7894 -3.5454 -3.5239 PRESSURE: 2914800 -153.872 -29.5392 71.0422 -29.5395 -204.231 211.235 71.042 211.235 88.217 GPRESSURE: 2914800 -109.159 -102.471 60.128 -88.6781 -123.94 241.135 129.744 299.099 44.9837 PRESSAVG: 2914800 23.9362 -36.1225 4.62032 -36.1225 -48.4273 35.1199 4.62034 35.12 -7.60515 GPRESSAVG: 2914800 23.4248 -35.1946 5.34643 -36.4733 -48.6788 35.1619 4.08328 34.4171 -7.35247 TIMING: 2914800 CPU: 9276.01, 0.00311353/step Wall: 9276.01, 0.00311353/step, 1.80343 hours remaining, 239.960938 MB of memory in use. ENERGY: 2914800 4051.9231 20455.2344 14519.3183 245.0865 -203162.1741 2305.9783 0.0000 0.0000 52026.3686 -109558.2650 298.9963 -161584.6336 -109205.7743 298.5902 -89.9617 -62.7051 761629.0918 -10.6987 -10.8688 PRESSURE: 2915000 94.9534 -12.5809 86.6048 -12.5812 -251.596 -70.16 86.6051 -70.1609 33.5004 GPRESSURE: 2915000 89.6916 -15.0546 106.753 -79.0371 -165.197 -89.3384 62.4282 -5.29503 43.5675 PRESSAVG: 2915000 -20.387 -31.8145 -3.10293 -31.8145 34.0711 -11.4736 -3.1029 -11.4736 19.9807 GPRESSAVG: 2915000 -19.997 -32.6357 -1.11713 -33.3573 33.1614 -12.1471 -4.1695 -9.99329 20.5281 TIMING: 2915000 CPU: 9276.63, 0.00311745/step Wall: 9276.63, 0.00311745/step, 1.80553 hours remaining, 239.960938 MB of memory in use. ENERGY: 2915000 3942.6345 20509.3078 14361.1625 238.3628 -203152.3258 2391.5300 0.0000 0.0000 52150.0467 -109559.2815 299.7070 -161709.3282 -109195.1526 299.0475 -41.0475 -10.6461 760977.8277 11.2216 11.2308 PRESSURE: 2915200 141.844 37.4216 -140.267 37.4215 -277.874 -271.195 -140.267 -271.195 -13.4224 GPRESSURE: 2915200 98.3848 -4.41882 -163.64 16.6109 -227.978 -303.781 -71.3496 -179.428 60.0178 PRESSAVG: 2915200 58.322 -40.7427 -80.7787 -40.7427 -27.548 10.6133 -80.7788 10.6132 -16.5483 GPRESSAVG: 2915200 56.9661 -41.2852 -81.2319 -37.0801 -27.1662 11.6144 -80.2672 6.47097 -15.6207 TIMING: 2915200 CPU: 9277.26, 0.00313367/step Wall: 9277.26, 0.00313367/step, 1.81474 hours remaining, 239.960938 MB of memory in use. ENERGY: 2915200 3918.8854 20599.7755 14464.7279 231.9342 -203157.9562 2413.9758 0.0000 0.0000 52018.1596 -109510.4977 298.9491 -161528.6574 -109158.1616 298.6996 -49.8173 -23.1918 762422.4917 4.7419 4.7264 PRESSURE: 2915400 -9.57912 -105.584 -98.4573 -105.585 45.1696 17.08 -98.4577 17.0808 144.312 GPRESSURE: 2915400 74.0279 -41.6616 -88.6115 -71.6614 12.7375 46.2415 -134.036 -24.5183 197.581 PRESSAVG: 2915400 6.37813 6.16502 -4.02413 6.16505 52.6922 8.7032 -4.02411 8.70328 13.7667 GPRESSAVG: 2915400 7.54067 7.77412 -4.57032 4.03946 51.7156 5.34019 -4.3563 12.3127 13.2996 TIMING: 2915400 CPU: 9277.88, 0.00314226/step Wall: 9277.88, 0.00314226/step, 1.81954 hours remaining, 239.960938 MB of memory in use. ENERGY: 2915400 3937.8004 20622.1726 14577.1124 237.7770 -203223.1759 2441.3019 0.0000 0.0000 52073.1618 -109333.8499 299.2652 -161407.0117 -108977.6051 298.8381 59.9675 94.7823 760683.3170 24.2790 24.1853 PRESSURE: 2915600 -149.58 -64.1264 66.4182 -64.1276 -73.4792 12.7904 66.4179 12.7908 -62.8357 GPRESSURE: 2915600 -146.467 -76.888 85.8072 100.319 17.473 -44.2629 -112.706 113.357 -60.0028 PRESSAVG: 2915600 5.26132 -51.2164 43.0056 -51.2164 7.5109 0.102649 43.0056 0.102612 11.4846 GPRESSAVG: 2915600 3.37362 -52.8799 42.1989 -51.2275 8.9606 2.18198 44.7809 -0.118918 10.9115 TIMING: 2915600 CPU: 9278.51, 0.0031183/step Wall: 9278.51, 0.0031183/step, 1.80549 hours remaining, 239.960938 MB of memory in use. ENERGY: 2915600 3987.6813 20565.2067 14551.0991 242.8051 -203008.9974 2433.2613 0.0000 0.0000 52039.6617 -109189.2822 299.0727 -161228.9439 -108814.8665 299.4144 -95.2984 -62.9989 761671.2688 8.0856 7.7486 PRESSURE: 2915800 17.38 -198.287 65.6131 -198.286 90.1951 105.162 65.6128 105.162 -13.1639 GPRESSURE: 2915800 84.968 -222.703 95.7467 -260.175 140.815 41.8086 128.995 175.911 -60.7838 PRESSAVG: 2915800 -4.50837 -30.7905 -1.921 -30.7905 5.01991 6.17715 -1.921 6.17708 3.25537 GPRESSAVG: 2915800 -5.06991 -30.2434 -0.0222372 -29.8553 4.9939 6.23215 -4.93278 5.29358 3.55775 TIMING: 2915800 CPU: 9279.13, 0.00310887/step Wall: 9279.13, 0.00310887/step, 1.79986 hours remaining, 239.960938 MB of memory in use. ENERGY: 2915800 3909.8130 20514.6378 14511.6614 236.4672 -203625.5842 2964.6363 0.0000 0.0000 52252.7759 -109235.5927 300.2974 -161488.3686 -108871.0882 299.7785 31.4704 54.9997 761415.4895 1.2556 1.1606 PRESSURE: 2916000 31.8 180.929 -89.7042 180.929 93.4897 89.4858 -89.7036 89.4856 51.5146 GPRESSURE: 2916000 44.392 146.65 -145.338 178.704 216.774 -1.20813 2.9522 358.161 -9.64985 PRESSAVG: 2916000 -18.1608 -35.7451 -27.6194 -35.7451 10.7184 16.6964 -27.6194 16.6964 2.39893 GPRESSAVG: 2916000 -17.0449 -34.614 -29.3891 -37.6734 10.5831 15.2294 -27.8239 18.6939 1.78818 TIMING: 2916000 CPU: 9279.75, 0.00311658/step Wall: 9279.75, 0.00311658/step, 1.80415 hours remaining, 239.960938 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: 2916000 4007.6418 20565.4395 14460.6049 248.9662 -203165.6275 2636.0409 0.0000 0.0000 52286.8470 -108960.0872 300.4932 -161246.9342 -108597.1641 299.7963 58.9347 83.8387 762706.4992 -1.6812 -1.5579 PRESSURE: 2916200 -44.8664 93.7972 -123.439 93.7977 147.488 101.542 -123.438 101.541 -340.587 GPRESSURE: 2916200 -55.9723 143.997 -105.779 13.0054 213.018 46.1344 -81.3411 41.592 -287.659 PRESSAVG: 2916200 6.30151 -13.7616 6.57648 -13.7616 -1.83279 -8.09606 6.57651 -8.09604 15.0074 GPRESSAVG: 2916200 6.6714 -15.0553 5.52213 -12.5243 -1.90814 -6.22822 8.84418 -8.12709 14.5833 TIMING: 2916200 CPU: 9280.38, 0.00311824/step Wall: 9280.38, 0.00311824/step, 1.80494 hours remaining, 239.960938 MB of memory in use. ENERGY: 2916200 4021.8439 20719.6267 14536.9199 253.9364 -203086.2476 2593.6675 0.0000 0.0000 52260.6338 -108699.6194 300.3426 -160960.2532 -108338.7436 300.6970 -79.3215 -43.5377 762854.6862 6.4921 6.4489 LDB: ============= START OF LOAD BALANCING ============== 9292.83 LDB: ============== END OF LOAD BALANCING =============== 9292.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9292.83 LDB: ============= START OF LOAD BALANCING ============== 9293.14 LDB: Largest compute 7063 load 0.032388 is 16.6% of average load 0.195348 LDB: Average compute 0.004396 is 2.3% of average load 0.195348 LDB: TIME 9293.15 LOAD: AVG 0.195348 MAX 0.215653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 9293.15 LOAD: AVG 0.195348 MAX 0.215653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.699 MB LDB: TIME 9293.15 LOAD: AVG 0.195348 MAX 0.215653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.699 MB LDB: ============== END OF LOAD BALANCING =============== 9293.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9293.15 PRESSURE: 2916400 -149.334 31.8934 -6.26986 31.8933 34.3281 123.739 -6.26961 123.739 -104.307 GPRESSURE: 2916400 -116.657 14.2408 -12.6759 46.4691 74.9821 60.7164 -148.934 123.495 -100.802 PRESSAVG: 2916400 -16.2795 -38.3299 -0.0467441 -38.3299 9.98521 18.1855 -0.0467291 18.1855 -4.08699 GPRESSAVG: 2916400 -16.6751 -37.4699 -1.23295 -38.7908 10.5662 16.7709 -1.2328 16.6396 -4.13327 TIMING: 2916400 CPU: 9281.02, 0.00320133/step Wall: 9281.02, 0.00320133/step, 1.85286 hours remaining, 240.609375 MB of memory in use. ENERGY: 2916400 3968.0809 20543.4569 14471.1447 246.1048 -203113.2703 2625.5938 0.0000 0.0000 52392.0332 -108866.8559 301.0977 -161258.8891 -108511.0703 300.8066 -73.1045 -47.4922 762499.9646 -3.4604 -3.4141 PRESSURE: 2916600 32.0402 -36.1267 -128.908 -36.1275 13.9784 169.47 -128.909 169.471 176.999 GPRESSURE: 2916600 102.337 -27.3871 -109.343 -80.1572 80.445 189.88 -214.492 244.707 127.47 PRESSAVG: 2916600 2.24448 -8.00605 -14.1514 -8.00607 30.9222 65.2557 -14.1513 65.2556 -5.91874 GPRESSAVG: 2916600 2.66662 -7.89444 -11.7078 -9.04582 30.8128 66.3482 -15.1135 64.3004 -6.15237 TIMING: 2916600 CPU: 9281.64, 0.00311544/step Wall: 9281.64, 0.00311544/step, 1.80298 hours remaining, 240.609375 MB of memory in use. ENERGY: 2916600 4024.9227 20598.5574 14431.8682 259.0559 -203142.1930 2547.5770 0.0000 0.0000 52269.4178 -109010.7940 300.3931 -161280.2118 -108637.7005 300.6425 74.3392 103.4175 761367.0857 9.0827 9.1090 PRESSURE: 2916800 -175.668 -193.881 56.7089 -193.881 -17.1653 75.9105 56.7089 75.9112 55.8935 GPRESSURE: 2916800 -32.5024 -131.317 -5.68292 -228.05 -0.288186 56.6472 -65.9978 74.0357 -17.524 PRESSAVG: 2916800 2.75834 -59.7449 17.4506 -59.7449 -6.19445 44.3145 17.4506 44.3145 -18.5559 GPRESSAVG: 2916800 1.91393 -60.9902 16.306 -61.0109 -6.16308 43.116 18.0546 44.8345 -17.9904 TIMING: 2916800 CPU: 9282.27, 0.00313283/step Wall: 9282.27, 0.00313283/step, 1.81287 hours remaining, 240.609375 MB of memory in use. ENERGY: 2916800 4036.6081 20640.1663 14506.6605 236.4586 -203070.0081 2137.8447 0.0000 0.0000 52404.1166 -109108.1533 301.1672 -161512.2699 -108747.1497 300.4358 -45.6466 -16.7715 759027.1975 -7.3307 -7.4132 PRESSURE: 2917000 -201.096 9.20371 -201.071 9.20325 -224.696 75.1573 -201.071 75.1572 236.737 GPRESSURE: 2917000 -206.565 -55.2296 -206.183 -73.6272 -150.079 -2.85218 -139.834 50.7883 242.571 PRESSAVG: 2917000 -42.9208 -12.4709 46.719 -12.4709 81.6509 -9.42324 46.7191 -9.42321 9.8604 GPRESSAVG: 2917000 -42.8518 -11.9836 46.1104 -12.4295 81.0254 -8.87162 47.4517 -9.57146 9.85136 TIMING: 2917000 CPU: 9282.89, 0.00312795/step Wall: 9282.89, 0.00312795/step, 1.80987 hours remaining, 240.609375 MB of memory in use. ENERGY: 2917000 3959.8141 20593.9994 14493.4070 246.8203 -202942.0706 2308.7716 0.0000 0.0000 52408.7975 -108930.4606 301.1941 -161339.2582 -108561.1220 299.9478 -63.0180 -38.0244 760178.6427 16.1968 16.0083 PRESSURE: 2917200 -437.293 -380.226 -113.04 -380.226 -311.092 109.933 -113.039 109.934 -194.955 GPRESSURE: 2917200 -429.512 -276.601 -85.8316 -458.948 -254.202 60.7056 -54.1257 224.047 -181.363 PRESSAVG: 2917200 -1.10682 -42.0284 -15.1867 -42.0285 43.5569 -60.594 -15.1867 -60.594 -11.811 GPRESSAVG: 2917200 -1.45556 -43.1123 -15.3982 -39.7869 43.9982 -62.3911 -15.5154 -60.0877 -11.0047 TIMING: 2917200 CPU: 9283.52, 0.00313158/step Wall: 9283.52, 0.00313158/step, 1.8118 hours remaining, 240.609375 MB of memory in use. ENERGY: 2917200 4024.9267 20564.8709 14584.3969 240.3672 -202802.8398 2221.8758 0.0000 0.0000 52270.0136 -108896.3888 300.3965 -161166.4023 -108530.3669 300.2502 -314.4467 -288.3590 761449.7256 10.2130 10.5127 PRESSURE: 2917400 -233.882 -226.028 -528.551 -226.028 22.3399 -137.715 -528.551 -137.715 39.2177 GPRESSURE: 2917400 -98.6347 -205.396 -578.831 -189.17 49.7556 -50.4193 -424.188 2.93375 -14.518 PRESSAVG: 2917400 -30.777 -38.3131 -48.4474 -38.3131 -5.15301 -12.5086 -48.4474 -12.5086 -4.2733 GPRESSAVG: 2917400 -31.6172 -33.3259 -46.977 -40.0953 -3.93664 -11.5715 -46.4288 -12.3295 -4.95693 TIMING: 2917400 CPU: 9284.15, 0.00313414/step Wall: 9284.15, 0.00313414/step, 1.8131 hours remaining, 240.609375 MB of memory in use. ENERGY: 2917400 3992.2663 20620.8212 14563.6552 238.5684 -203104.1603 2377.9112 0.0000 0.0000 52194.3577 -109116.5805 299.9617 -161310.9381 -108755.8498 300.4017 -57.4414 -21.1324 761976.5370 -13.4011 -13.5036 PRESSURE: 2917600 288.608 40.4482 88.2726 40.4485 78.1665 -283.892 88.2731 -283.891 334.164 GPRESSURE: 2917600 307.687 -123.411 7.63709 3.79984 35.4188 -223.483 21.4003 -211.572 433.906 PRESSAVG: 2917600 -26.9411 18.8348 -21.894 18.8349 -9.61264 35.1928 -21.894 35.1927 3.08308 GPRESSAVG: 2917600 -25.7867 14.9732 -23.4587 21.9813 -11.6738 37.849 -22.7936 33.3323 4.41901 TIMING: 2917600 CPU: 9284.77, 0.00313122/step Wall: 9284.77, 0.00313122/step, 1.81124 hours remaining, 240.609375 MB of memory in use. ENERGY: 2917600 3953.7712 20539.2504 14570.2195 252.7455 -203617.2892 2908.3098 0.0000 0.0000 52334.7933 -109058.1994 300.7688 -161392.9928 -108695.6019 300.2151 233.6460 259.0039 763134.6004 -11.1569 -11.0138 PRESSURE: 2917800 -15.6526 -19.0529 11.4961 -19.0529 -149.392 140.866 11.4966 140.866 130.074 GPRESSURE: 2917800 73.5974 -68.6847 20.417 60.6318 -109.245 122.786 -103.623 104.079 88.0642 PRESSAVG: 2917800 -31.9918 -5.22774 -77.1853 -5.22777 -14.6528 -2.3448 -77.1852 -2.34483 -3.83448 GPRESSAVG: 2917800 -32.5347 -4.55495 -76.812 -5.96581 -13.8342 -5.78696 -77.5658 -1.74957 -4.62954 TIMING: 2917800 CPU: 9285.4, 0.00314038/step Wall: 9285.4, 0.00314038/step, 1.81636 hours remaining, 240.609375 MB of memory in use. ENERGY: 2917800 3973.7665 20540.5381 14523.4118 263.3979 -203321.9500 2644.6349 0.0000 0.0000 52271.7692 -109104.4315 300.4066 -161376.2007 -108737.6387 299.8984 -11.6568 17.4721 762057.1218 -16.8264 -16.9995 PRESSURE: 2918000 -125.944 -102.155 -69.7143 -102.154 -250.514 -100.949 -69.7156 -100.948 -118.647 GPRESSURE: 2918000 -114.494 -92.9956 -112.557 -235.76 -180.224 -83.2276 32.7347 -46.2245 -113.155 PRESSAVG: 2918000 -27.8895 12.529 -22.4625 12.5291 -29.834 30.3377 -22.4625 30.3377 -13.2371 GPRESSAVG: 2918000 -26.9908 11.5112 -22.7649 12.1236 -30.6464 32.2188 -22.0627 29.4014 -13.6198 TIMING: 2918000 CPU: 9286.03, 0.00314159/step Wall: 9286.03, 0.00314159/step, 1.81689 hours remaining, 240.609375 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: 2918000 3996.3757 20537.6580 14605.2568 258.6897 -202974.8502 2624.6734 0.0000 0.0000 51888.2833 -109063.9133 298.2027 -160952.1965 -108708.4523 299.7773 -165.0354 -135.9576 762914.8435 -23.6535 -23.7524 PRESSURE: 2918200 224.079 -11.1246 2.38252 -11.1242 255.857 167.573 2.38281 167.573 -38.8826 GPRESSURE: 2918200 262.075 -7.3853 40.654 -73.0005 258.827 215.574 -146.165 237.955 -7.08689 PRESSAVG: 2918200 -39.5222 -14.4796 -14.2317 -14.4796 -3.58164 4.42763 -14.2317 4.42766 -8.23826 GPRESSAVG: 2918200 -39.8431 -13.9475 -14.4709 -15.6905 -3.64952 3.97176 -14.7647 6.45692 -8.23553 TIMING: 2918200 CPU: 9286.66, 0.00313814/step Wall: 9286.66, 0.00313814/step, 1.81472 hours remaining, 240.609375 MB of memory in use. ENERGY: 2918200 4052.1861 20514.3238 14445.1088 237.7169 -203245.7184 2745.7379 0.0000 0.0000 52333.8845 -108916.7604 300.7636 -161250.6448 -108554.1736 300.2616 147.0179 171.2718 761561.5435 -17.1140 -17.2427 PRESSURE: 2918400 -168.936 -53.7018 -202.3 -53.7015 -116.747 32.1695 -202.3 32.1708 -40.3312 GPRESSURE: 2918400 -75.3513 -49.3083 -175.861 -63.3215 -140.665 38.2416 -152.17 57.327 -32.7281 PRESSAVG: 2918400 16.4424 -69.1673 -1.86833 -69.1673 -31.4318 26.4213 -1.86829 26.4213 -3.60091 GPRESSAVG: 2918400 16.6863 -66.5287 -1.13116 -68.0357 -32.7965 25.2361 -1.8433 27.9297 -2.4403 TIMING: 2918400 CPU: 9287.28, 0.00313663/step Wall: 9287.28, 0.00313663/step, 1.81367 hours remaining, 240.609375 MB of memory in use. ENERGY: 2918400 3927.4989 20518.2646 14471.0860 248.8059 -202919.6096 2201.2499 0.0000 0.0000 52277.4101 -109275.2941 300.4390 -161552.7042 -108908.0206 299.8767 -108.6713 -82.9147 762477.5100 -6.1967 -6.1835 PRESSURE: 2918600 -224.652 -192.985 -74.6043 -192.984 155.099 -71.8912 -74.6034 -71.892 -185.337 GPRESSURE: 2918600 -230.871 -98.8038 -83.0021 -204.375 218.256 -77.742 34.9565 -153.187 -167.205 PRESSAVG: 2918600 -28.6096 -31.819 3.28773 -31.8189 8.89951 18.486 3.28773 18.4861 0.155448 GPRESSAVG: 2918600 -27.6663 -33.5783 2.80537 -30.4596 10.3697 20.179 2.36936 15.2284 -1.58894 TIMING: 2918600 CPU: 9287.91, 0.00313526/step Wall: 9287.91, 0.00313526/step, 1.8127 hours remaining, 240.609375 MB of memory in use. ENERGY: 2918600 4029.9111 20609.5388 14493.2964 245.9585 -202979.8797 2284.6093 0.0000 0.0000 52037.1964 -109279.3692 299.0585 -161316.5657 -108923.2831 299.4179 -84.9636 -59.9400 761078.1511 -6.5182 -6.2952 PRESSURE: 2918800 -7.38625 196.216 140.816 196.217 207.613 92.2489 140.816 92.2503 408.932 GPRESSURE: 2918800 9.59142 288.004 162.511 266.745 202.017 133.254 113.939 158.452 456.725 PRESSAVG: 2918800 29.0424 1.57656 -15.0857 1.57654 3.01145 -18.5919 -15.0858 -18.592 13.413 GPRESSAVG: 2918800 27.9793 1.07891 -12.95 1.15472 4.61219 -19.5094 -14.4289 -16.9955 13.0089 TIMING: 2918800 CPU: 9288.54, 0.00313817/step Wall: 9288.54, 0.00313817/step, 1.81421 hours remaining, 240.609375 MB of memory in use. ENERGY: 2918800 3987.6731 20454.7861 14488.5472 248.8379 -203238.7542 2648.0897 0.0000 0.0000 52069.5508 -109341.2695 299.2444 -161410.8203 -108971.6261 299.5153 203.0528 222.7777 762223.1321 15.1556 15.2001 PRESSURE: 2919000 -74.7334 -34.0203 22.4048 -34.0197 2.01877 -124.327 22.4059 -124.328 -163.832 GPRESSURE: 2919000 -116.298 44.5709 29.6023 -135.162 59.0922 -127.099 -7.06323 -31.7645 -107.739 PRESSAVG: 2919000 -35.1206 14.7217 -59.3417 14.7217 5.44533 -33.3959 -59.3418 -33.396 -7.95025 GPRESSAVG: 2919000 -35.5992 13.3954 -60.5387 13.9442 4.82106 -32.327 -58.999 -36.3619 -6.96978 TIMING: 2919000 CPU: 9289.16, 0.00312692/step Wall: 9289.16, 0.00312692/step, 1.80754 hours remaining, 240.609375 MB of memory in use. ENERGY: 2919000 4073.1841 20682.5943 14415.9500 255.2466 -203302.3396 2765.4254 0.0000 0.0000 51808.9631 -109300.9761 297.7468 -161109.9391 -108955.5792 299.5893 -78.8487 -54.9815 762251.5911 -12.5418 -12.5826 PRESSURE: 2919200 -11.1173 43.129 61.4668 43.1296 -202.769 -70.3014 61.4664 -70.3014 -315.805 GPRESSURE: 2919200 -3.35315 -12.8611 55.4924 42.0965 -170.369 -61.3479 47.6849 50.2636 -285.213 PRESSAVG: 2919200 -17.2553 1.27786 -16.0537 1.27782 45.2115 16.6616 -16.0538 16.6616 15.5763 GPRESSAVG: 2919200 -16.1847 3.35714 -16.6457 0.00100316 44.6518 15.8843 -15.5373 19.4671 15.2323 TIMING: 2919200 CPU: 9289.78, 0.00310589/step Wall: 9289.78, 0.00310589/step, 1.79521 hours remaining, 240.609375 MB of memory in use. ENERGY: 2919200 4010.4962 20399.4797 14493.4986 258.8066 -203009.1829 2359.5597 0.0000 0.0000 52309.3816 -109177.9606 300.6227 -161487.3422 -108809.5709 299.8781 -176.5636 -152.9787 762046.9036 14.5108 14.5665 PRESSURE: 2919400 -8.24425 151.652 88.5883 151.652 -400.275 33.9353 88.5884 33.9357 -434.86 GPRESSURE: 2919400 -2.76436 164.346 -4.33587 154.9 -350.23 15.2507 -33.2417 62.1501 -406.331 PRESSAVG: 2919400 -21.4201 -4.50413 1.53534 -4.50415 35.8852 -26.2027 1.5353 -26.2026 -11.6992 GPRESSAVG: 2919400 -22.8839 -7.22017 2.37644 -2.12808 36.9966 -26.015 -0.146321 -25.627 -11.7157 TIMING: 2919400 CPU: 9290.41, 0.00314212/step Wall: 9290.41, 0.00314212/step, 1.81597 hours remaining, 240.609375 MB of memory in use. ENERGY: 2919400 3920.1822 20479.7944 14548.2458 238.7635 -202820.8226 2301.1709 0.0000 0.0000 52116.1183 -109216.5475 299.5120 -161332.6658 -108858.6665 299.7469 -281.1264 -253.1087 763875.4202 0.9219 0.7990 PRESSURE: 2919600 -48.6303 -49.8713 161.861 -49.8713 -50.5992 -49.9576 161.862 -49.9583 -180.287 GPRESSURE: 2919600 -59.7649 141.625 106.854 -70.5828 27.3825 16.6302 174.196 18.5861 -148.994 PRESSAVG: 2919600 -73.9177 9.24044 -5.46909 9.24042 14.1506 29.3498 -5.4691 29.3498 -13.7141 GPRESSAVG: 2919600 -73.5332 12.9029 -7.6031 5.90604 14.169 29.3286 -4.87306 28.3601 -14.1109 TIMING: 2919600 CPU: 9291.04, 0.00313517/step Wall: 9291.04, 0.00313517/step, 1.81178 hours remaining, 240.609375 MB of memory in use. ENERGY: 2919600 3929.9372 20476.4536 14528.8506 233.0942 -203266.4594 2778.0050 0.0000 0.0000 52039.2735 -109280.8454 299.0704 -161320.1188 -108918.3528 299.8342 -93.1723 -60.4587 761887.0558 -24.4937 -24.4917 PRESSURE: 2919800 251.145 -64.3548 -148.952 -64.3553 -153.262 -98.7194 -148.952 -98.7203 -138.103 GPRESSURE: 2919800 282.543 -4.18873 -104.338 -124.072 -188.215 -158.666 -109.592 35.4882 -50.0768 PRESSAVG: 2919800 -29.9053 -25.9602 30.4486 -25.9602 73.5248 32.4362 30.4486 32.4362 9.37813 GPRESSAVG: 2919800 -28.7975 -28.3818 33.4145 -24.2247 72.5502 30.8524 30.1828 34.8724 9.14179 TIMING: 2919800 CPU: 9291.67, 0.00313267/step Wall: 9291.67, 0.00313267/step, 1.81016 hours remaining, 240.609375 MB of memory in use. ENERGY: 2919800 3997.5425 20622.8245 14486.3200 268.0415 -203232.6155 2547.6912 0.0000 0.0000 51815.1018 -109495.0941 297.7821 -161310.1959 -109141.1880 299.2305 -13.4066 14.7504 761991.3068 17.6659 17.6315 PRESSURE: 2920000 404.308 20.0469 80.7049 20.0473 137.145 25.3866 80.705 25.3882 -330.296 GPRESSURE: 2920000 312.719 70.7558 147.117 -35.4697 307.972 -10.3433 101.95 98.8792 -335.307 PRESSAVG: 2920000 15.7249 46.6887 61.7859 46.6888 0.376517 25.9763 61.7858 25.9763 0.37418 GPRESSAVG: 2920000 14.56 48.4124 60.625 45.2084 1.65125 26.0576 61.4203 23.8015 -0.303985 TIMING: 2920000 CPU: 9292.3, 0.00314593/step Wall: 9292.3, 0.00314593/step, 1.81765 hours remaining, 240.609375 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: 2920000 3977.2768 20475.2210 14469.5292 233.0541 -203562.3262 2810.8637 0.0000 0.0000 51938.9324 -109657.4491 298.4938 -161596.3815 -109295.8487 298.7705 70.3859 95.1283 760433.9316 5.4919 5.3024 PRESSURE: 2920200 -141.674 198.811 136.767 198.81 -5.60215 163.139 136.766 163.139 -93.8924 GPRESSURE: 2920200 -31.1943 153.067 148.49 239.93 -28.4427 260.464 53.5811 190.941 -98.1034 PRESSAVG: 2920200 26.2195 -15.8532 -4.81835 -15.8531 0.0446471 -16.7984 -4.81835 -16.7983 27.6189 GPRESSAVG: 2920200 27.2621 -18.1508 -5.30985 -14.1952 0.154344 -16.2311 -4.01932 -14.6208 26.2953 TIMING: 2920200 CPU: 9292.92, 0.0031212/step Wall: 9292.92, 0.0031212/step, 1.80319 hours remaining, 240.609375 MB of memory in use. ENERGY: 2920200 3952.6430 20392.4023 14518.3135 245.4032 -203511.1007 2568.8584 0.0000 0.0000 52357.5377 -109475.9426 300.8995 -161833.4803 -109107.0890 298.6165 -80.3894 -52.5801 763007.9647 17.9610 17.9039 LDB: ============= START OF LOAD BALANCING ============== 9305.37 LDB: ============== END OF LOAD BALANCING =============== 9305.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9305.37 LDB: ============= START OF LOAD BALANCING ============== 9305.69 LDB: Largest compute 7072 load 0.035312 is 18.1% of average load 0.195415 LDB: Average compute 0.004387 is 2.2% of average load 0.195415 LDB: TIME 9305.69 LOAD: AVG 0.195415 MAX 0.219484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 9305.69 LOAD: AVG 0.195415 MAX 0.219484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 9305.69 LOAD: AVG 0.195415 MAX 0.217867 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 9305.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9305.7 PRESSURE: 2920400 508.869 -10.5291 287.047 -10.5288 394.25 76.5185 287.048 76.5174 118.934 GPRESSURE: 2920400 543.834 66.9943 251.309 58.3759 471.517 -65.2132 254.212 110.064 84.7302 PRESSAVG: 2920400 32.5376 -42.5903 44.1937 -42.5904 -78.1922 -27.6085 44.1938 -27.6085 -0.245776 GPRESSAVG: 2920400 31.62 -41.5214 43.9048 -43.2489 -78.0785 -28.448 44.2807 -27.9906 0.665614 TIMING: 2920400 CPU: 9293.56, 0.0032104/step Wall: 9293.56, 0.0032104/step, 1.85454 hours remaining, 241.320312 MB of memory in use. ENERGY: 2920400 3958.0465 20141.5697 14500.4663 247.1258 -203529.9576 2834.7003 0.0000 0.0000 52243.3755 -109604.6734 300.2434 -161848.0490 -109230.3899 298.5846 340.6842 366.6938 761904.4105 -15.3001 -15.2643 PRESSURE: 2920600 -42.7371 5.12648 32.9403 5.12682 -69.3476 -16.4863 32.9403 -16.4857 275.135 GPRESSURE: 2920600 17.7144 40.3435 31.8863 123.763 -15.6667 -33.1951 66.4037 -0.387742 224.643 PRESSAVG: 2920600 -33.3034 -40.7803 14.2583 -40.7803 -38.1449 45.9666 14.2584 45.9665 -1.39547 GPRESSAVG: 2920600 -31.935 -39.0267 13.4131 -39.2824 -39.5908 47.2943 15.0849 43.6456 -1.58094 TIMING: 2920600 CPU: 9294.19, 0.00313333/step Wall: 9294.19, 0.00313333/step, 1.80984 hours remaining, 241.523438 MB of memory in use. ENERGY: 2920600 3940.0068 20535.0333 14479.1931 237.2353 -203457.6989 2799.3133 0.0000 0.0000 52149.8400 -109317.0772 299.7058 -161466.9171 -108959.5520 299.2434 54.3502 75.5637 761307.0886 -24.2812 -24.3689 PRESSURE: 2920800 100.646 -24.0406 -158.872 -24.04 4.73768 64.8213 -158.872 64.8209 118.824 GPRESSURE: 2920800 170.237 -64.077 -211.387 -59.9799 -24.4743 83.5475 -200.93 58.1547 173.089 PRESSAVG: 2920800 20.5805 -8.16336 13.8595 -8.16332 3.56713 -12.5341 13.8595 -12.5342 2.71802 GPRESSAVG: 2920800 19.1073 -12.1717 14.4918 -6.97617 4.19604 -14.1885 13.2394 -12.3821 3.21564 TIMING: 2920800 CPU: 9294.81, 0.00313065/step Wall: 9294.81, 0.00313065/step, 1.80812 hours remaining, 241.523438 MB of memory in use. ENERGY: 2920800 3921.0245 20606.9866 14471.8742 266.0038 -203399.5645 2657.4207 0.0000 0.0000 52117.5670 -109358.6877 299.5204 -161476.2547 -108990.8978 300.0222 74.7357 106.2836 761967.2717 8.9552 8.8397 PRESSURE: 2921000 84.539 -94.6628 -105.312 -94.6627 -87.6673 -50.6154 -105.312 -50.6148 -340.094 GPRESSURE: 2921000 152.149 -13.5303 -211.69 -237.912 -80.1054 -25.0538 -31.3951 69.6003 -311.997 PRESSAVG: 2921000 -2.17574 -26.7802 43.2855 -26.7803 12.0222 16.4669 43.2855 16.4669 -7.34599 GPRESSAVG: 2921000 -1.57862 -24.7218 43.2971 -26.8269 11.243 17.2677 43.707 17.0342 -7.76688 TIMING: 2921000 CPU: 9295.44, 0.00313522/step Wall: 9295.44, 0.00313522/step, 1.81059 hours remaining, 241.523438 MB of memory in use. ENERGY: 2921000 4016.6750 20588.5863 14544.6445 251.4138 -203146.2347 2426.7722 0.0000 0.0000 52192.3471 -109125.7958 299.9501 -161318.1429 -108762.4389 300.3040 -114.4074 -79.9845 761190.3224 0.8335 0.6325 PRESSURE: 2921200 -387.773 -80.0985 -244.994 -80.0984 -314.973 -32.939 -244.994 -32.9387 -404.526 GPRESSURE: 2921200 -319.842 -52.9496 -278.445 82.3474 -305.258 -7.58852 -251.902 9.77736 -390.626 PRESSAVG: 2921200 74.2094 -39.8888 -47.8817 -39.8888 -79.5322 -30.3084 -47.8817 -30.3084 -15.081 GPRESSAVG: 2921200 74.1433 -39.3568 -48.8246 -40.7411 -79.6884 -29.9839 -48.1854 -29.502 -15.1261 TIMING: 2921200 CPU: 9296.07, 0.00313055/step Wall: 9296.07, 0.00313055/step, 1.80772 hours remaining, 241.523438 MB of memory in use. ENERGY: 2921200 3988.7308 20538.9945 14472.2983 240.0473 -202581.2878 2029.2188 0.0000 0.0000 52176.5641 -109135.4341 299.8594 -161311.9981 -108773.7673 300.4777 -369.0906 -338.5755 762352.6051 -6.8013 -6.8904 PRESSURE: 2921400 205.476 -186.009 88.1371 -186.009 -173.561 -33.6657 88.137 -33.6654 127.853 GPRESSURE: 2921400 213.398 -156.146 15.031 -153.818 -139.237 -99.6289 40.6955 -89.6825 157.975 PRESSAVG: 2921400 5.73552 -2.22968 31.9674 -2.22969 -14.4962 16.6513 31.9674 16.6512 -4.55602 GPRESSAVG: 2921400 6.7377 -1.98651 32.4724 -2.03703 -14.8995 16.29 31.2635 15.9001 -4.26244 TIMING: 2921400 CPU: 9296.69, 0.00313098/step Wall: 9296.69, 0.00313098/step, 1.80779 hours remaining, 241.523438 MB of memory in use. ENERGY: 2921400 4020.5148 20627.4792 14560.5372 252.6353 -203272.7250 2473.3023 0.0000 0.0000 52206.1758 -109132.0804 300.0296 -161338.2563 -108779.6713 299.7130 53.2560 77.3787 761168.4916 -4.4389 -4.1414 PRESSURE: 2921600 -98.1382 106.646 -50.4879 106.646 80.5531 -14.2365 -50.4885 -14.2358 282.247 GPRESSURE: 2921600 -129.717 149.527 -69.2713 54.9063 172.034 7.19823 -82.9488 -146.277 294.892 PRESSAVG: 2921600 43.4939 -45.7336 49.3477 -45.7335 -23.1745 4.73144 49.3478 4.73134 14.6249 GPRESSAVG: 2921600 43.0465 -45.5743 49.0392 -45.9968 -22.8165 3.90535 51.927 3.74028 14.9002 TIMING: 2921600 CPU: 9297.32, 0.00314528/step Wall: 9297.32, 0.00314528/step, 1.81587 hours remaining, 241.523438 MB of memory in use. ENERGY: 2921600 3970.3477 20475.4639 14473.3685 253.7743 -203313.0923 2594.5522 0.0000 0.0000 52220.1243 -109325.4613 300.1098 -161545.5856 -108963.7682 300.3363 88.2206 112.4028 761480.0343 11.6481 11.7101 PRESSURE: 2921800 604.633 -16.413 -297.171 -16.4124 283.19 4.12251 -297.171 4.12325 -77.3794 GPRESSURE: 2921800 692.347 -40.1795 -356.537 -56.4779 232.474 25.8446 -275.183 -36.1809 -55.6758 PRESSAVG: 2921800 95.0512 -8.21473 20.7761 -8.21481 -23.7588 -68.9784 20.7761 -68.9784 10.5626 GPRESSAVG: 2921800 94.6165 -8.49117 21.4581 -6.59337 -22.8272 -68.5012 19.9989 -69.1107 9.13622 TIMING: 2921800 CPU: 9297.95, 0.0031361/step Wall: 9297.95, 0.0031361/step, 1.8104 hours remaining, 241.523438 MB of memory in use. ENERGY: 2921800 3958.0230 20492.2217 14448.6006 232.8776 -203527.5954 3010.4241 0.0000 0.0000 51946.1166 -109439.3317 298.5350 -161385.4483 -109078.6389 299.4602 270.1478 289.7150 760977.1546 27.2850 26.9752 PRESSURE: 2922000 -52.7448 -20.6351 38.4522 -20.6355 -214.981 -113.547 38.4523 -113.547 -138.716 GPRESSURE: 2922000 22.2113 21.4615 -20.2041 -32.5411 -217.674 -110.894 -52.6325 -185.918 -136.113 PRESSAVG: 2922000 31.3811 -68.9906 -25.6804 -68.9906 -12.4895 -101.804 -25.6803 -101.804 -7.1345 GPRESSAVG: 2922000 29.6227 -67.67 -25.8788 -70.7376 -12.4226 -101.804 -26.6649 -101.188 -5.48453 TIMING: 2922000 CPU: 9298.58, 0.00313042/step Wall: 9298.58, 0.00313042/step, 1.80695 hours remaining, 241.523438 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: 2922000 3921.9564 20577.8060 14468.1702 256.2665 -203139.1483 2499.8747 0.0000 0.0000 52040.7765 -109374.2979 299.0791 -161415.0744 -109022.7236 299.0034 -135.4808 -110.5252 763447.5026 3.9190 3.9052 PRESSURE: 2922200 -88.2019 26.4416 -83.1703 26.4405 -185.166 -89.8606 -83.1702 -89.8618 246.613 GPRESSURE: 2922200 -13.6018 -64.2 -138.936 96.5051 -161.946 -96.9903 57.1793 -29.2898 249.754 PRESSAVG: 2922200 14.78 25.0867 -24.4766 25.0867 -20.3041 -88.912 -24.4765 -88.9121 -0.592433 GPRESSAVG: 2922200 16.7592 23.3432 -25.0007 26.6049 -20.7455 -88.534 -25.8685 -89.5953 -2.52132 TIMING: 2922200 CPU: 9299.21, 0.0031476/step Wall: 9299.21, 0.0031476/step, 1.81669 hours remaining, 241.523438 MB of memory in use. ENERGY: 2922200 3928.8149 20398.1143 14501.1386 237.0804 -203236.5532 2593.4414 0.0000 0.0000 52304.9997 -109272.9639 300.5976 -161577.9636 -108898.1921 299.5725 -8.9181 24.7353 762746.9907 -2.0389 -2.1692 PRESSURE: 2922400 153.423 -22.5657 -181.295 -22.5661 122.004 -184.486 -181.295 -184.486 92.4461 GPRESSURE: 2922400 174.63 -3.53708 -119.94 -56.001 115.471 -209.191 -231.954 -229.127 182.096 PRESSAVG: 2922400 -7.98731 66.7816 -57.1735 66.7816 -4.6206 -52.55 -57.1735 -52.55 -2.09645 GPRESSAVG: 2922400 -8.66876 65.5092 -55.7111 64.602 -4.78965 -53.5467 -56.8144 -50.4867 -1.48152 TIMING: 2922400 CPU: 9299.84, 0.00314805/step Wall: 9299.84, 0.00314805/step, 1.81677 hours remaining, 241.523438 MB of memory in use. ENERGY: 2922400 3931.4818 20630.9759 14457.3877 259.3042 -203392.7742 2771.8346 0.0000 0.0000 52351.9892 -108989.8007 300.8676 -161341.7899 -108628.9190 300.1300 122.6244 157.3990 761357.0585 -4.9014 -4.9800 PRESSURE: 2922600 213.315 106.707 32.2106 106.706 -169.991 17.7463 32.2102 17.7465 320.274 GPRESSURE: 2922600 170.8 195.901 90.1045 124.333 -41.9312 74.3387 98.5999 -53.8949 307.052 PRESSAVG: 2922600 -16.6487 34.999 30.7407 34.9989 -13.121 -37.6542 30.7408 -37.6542 7.54398 GPRESSAVG: 2922600 -15.5293 36.7715 32.0959 36.3201 -13.4615 -37.4359 29.8716 -39.0514 6.91629 TIMING: 2922600 CPU: 9300.46, 0.00314313/step Wall: 9300.46, 0.00314313/step, 1.81376 hours remaining, 241.523438 MB of memory in use. ENERGY: 2922600 3915.3915 20530.6974 14412.6208 226.0340 -203115.1370 2431.2187 0.0000 0.0000 52326.4264 -109272.7482 300.7207 -161599.1746 -108896.4476 299.7646 121.1994 145.3069 764173.7990 -7.4086 -7.3582 PRESSURE: 2922800 -150.894 -396.407 -177.031 -396.406 -123.746 -83.3201 -177.032 -83.3201 12.9647 GPRESSURE: 2922800 -108.086 -253.817 -183.337 -272.048 -117.93 -97.9695 -94.7158 -166.785 40.1093 PRESSAVG: 2922800 12.2886 -39.4576 -24.1588 -39.4575 8.02218 -34.1601 -24.1588 -34.1601 -21.6126 GPRESSAVG: 2922800 11.3815 -38.9461 -24.5796 -39.4473 8.93246 -33.9821 -23.3318 -34.0522 -21.0478 TIMING: 2922800 CPU: 9301.09, 0.00314791/step Wall: 9301.09, 0.00314791/step, 1.81634 hours remaining, 241.523438 MB of memory in use. ENERGY: 2922800 4063.9551 20492.0266 14577.7249 245.0689 -203004.3032 2392.7772 0.0000 0.0000 52126.7934 -109105.9570 299.5734 -161232.7505 -108739.0128 299.6141 -87.2251 -61.9688 763414.4209 -0.4339 -0.2446 PRESSURE: 2923000 105.139 -64.3516 21.4202 -64.3514 139.535 31.2927 21.4197 31.2931 -90.6421 GPRESSURE: 2923000 64.6554 45.9806 36.3617 -144.329 251.26 -98.7029 -75.8555 170.266 -88.3815 PRESSAVG: 2923000 13.2419 -33.2064 22.7611 -33.2064 29.4468 23.9549 22.7612 23.955 -4.41472 GPRESSAVG: 2923000 13.1795 -35.5492 19.0599 -33.2429 29.5236 22.4056 21.4511 24.8092 -3.75143 TIMING: 2923000 CPU: 9301.72, 0.00314208/step Wall: 9301.72, 0.00314208/step, 1.8128 hours remaining, 241.523438 MB of memory in use. ENERGY: 2923000 4010.9708 20563.1004 14459.1191 259.3333 -203210.7299 2628.3138 0.0000 0.0000 52206.8523 -109083.0403 300.0335 -161289.8926 -108714.6285 299.9133 51.3440 75.8445 763126.3467 12.7580 12.9839 PRESSURE: 2923200 -108.646 121.541 -179.399 121.542 -25.7971 -162.23 -179.398 -162.229 -51.7988 GPRESSURE: 2923200 -13.8012 109.315 -100.959 -26.2823 -64.3944 -159.285 -213.51 -235.002 -5.92626 PRESSAVG: 2923200 9.2326 -3.76411 61.4443 -3.76396 -7.85057 27.6904 61.4444 27.6904 2.36612 GPRESSAVG: 2923200 10.2932 -2.19957 63.7404 -5.26586 -7.28923 29.8085 62.1772 28.3022 0.995502 TIMING: 2923200 CPU: 9302.35, 0.0031347/step Wall: 9302.35, 0.0031347/step, 1.80838 hours remaining, 241.523438 MB of memory in use. ENERGY: 2923200 3998.8929 20605.2283 14450.4159 234.5737 -202916.8272 2331.9363 0.0000 0.0000 52029.8343 -109265.9457 299.0162 -161295.7800 -108900.6320 299.3419 -62.0807 -28.0406 762117.1550 1.2494 1.3332 PRESSURE: 2923400 319.675 -249.946 -25.9583 -249.945 86.3904 152.286 -25.9584 152.286 165.558 GPRESSURE: 2923400 256.829 -169.686 -109.359 -143.052 228.655 184.469 32.3301 151.56 160.879 PRESSAVG: 2923400 12.3013 21.4048 -39.5892 21.4048 -20.4 -54.1632 -39.5892 -54.1633 -21.0259 GPRESSAVG: 2923400 12.147 20.9317 -39.5013 22.9054 -22.0592 -56.863 -40.465 -55.2267 -19.1319 TIMING: 2923400 CPU: 9302.98, 0.0031429/step Wall: 9302.98, 0.0031429/step, 1.81293 hours remaining, 241.523438 MB of memory in use. ENERGY: 2923400 4068.2064 20525.9602 14512.9970 230.3133 -203652.9971 2749.7185 0.0000 0.0000 52210.7455 -109355.0562 300.0559 -161565.8017 -108990.2710 299.5381 190.5412 215.4542 761620.8587 -9.7082 -9.6814 PRESSURE: 2923600 -243.055 30.6482 48.5849 30.6481 -245.2 -43.031 48.585 -43.0308 -130.526 GPRESSURE: 2923600 -242.871 -20.1255 2.78662 -59.5933 -129.698 -155.838 162.204 92.2907 -149.998 PRESSAVG: 2923600 18.3204 34.8127 38.0165 34.8127 -38.4697 -16.0959 38.0165 -16.0959 -4.46864 GPRESSAVG: 2923600 16.8698 35.5421 37.1751 35.1501 -36.8943 -14.1784 38.4485 -16.5824 -4.25768 TIMING: 2923600 CPU: 9303.6, 0.00313451/step Wall: 9303.6, 0.00313451/step, 1.80792 hours remaining, 241.523438 MB of memory in use. ENERGY: 2923600 4025.3296 20627.0292 14449.0075 237.8218 -203260.0007 2531.3310 0.0000 0.0000 51845.8264 -109543.6552 297.9587 -161389.4816 -109181.0674 298.9605 -206.2603 -174.1889 762691.7156 -8.2060 -8.0940 PRESSURE: 2923800 -138.589 44.3156 9.91136 44.3162 -74.1014 3.16868 9.91155 3.16845 32.6594 GPRESSURE: 2923800 -168.453 65.8244 54.0069 9.1902 16.0931 42.691 -30.7114 -58.7852 47.0905 PRESSAVG: 2923800 14.2946 67.636 25.7138 67.636 18.075 -17.2007 25.7138 -17.2007 -13.3099 GPRESSAVG: 2923800 16.8227 68.7397 24.1108 66.1167 17.1682 -17.2177 26.2601 -17.1501 -14.7454 TIMING: 2923800 CPU: 9304.23, 0.00313565/step Wall: 9304.23, 0.00313565/step, 1.8084 hours remaining, 241.523438 MB of memory in use. ENERGY: 2923800 4042.4289 20660.4278 14428.2548 242.5045 -203449.2933 2674.6547 0.0000 0.0000 51924.6813 -109476.3414 298.4119 -161401.0227 -109113.8821 299.1936 -60.0104 -35.0899 762432.0406 6.3532 6.4152 PRESSURE: 2924000 185.569 -8.58753 -83.6047 -8.58732 -186.417 144.091 -83.6038 144.09 -387.066 GPRESSURE: 2924000 226.578 -56.6603 -64.7775 76.1369 -144.329 133.119 -51.8209 206.355 -372.117 PRESSAVG: 2924000 33.794 25.047 -25.6682 25.0469 -42.2737 33.5133 -25.6682 33.5133 -3.48742 GPRESSAVG: 2924000 32.317 22.6712 -24.23 27.0404 -40.9115 35.5211 -24.7306 33.8011 -3.74873 TIMING: 2924000 CPU: 9304.86, 0.00312451/step Wall: 9304.86, 0.00312451/step, 1.8018 hours remaining, 241.523438 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: 2924000 3996.6060 20458.1652 14471.5581 244.9243 -203457.9478 2727.4894 0.0000 0.0000 52091.6997 -109467.5051 299.3717 -161559.2048 -109103.9964 299.4276 -129.3048 -96.6228 762003.2216 -3.9890 -4.1144 PRESSURE: 2924200 388.491 86.0357 117.732 86.0349 565.848 16.9369 117.732 16.9377 153.534 GPRESSURE: 2924200 463.329 68.9702 130.549 49.2534 563.406 -6.86193 -28.6397 11.1269 160.895 PRESSAVG: 2924200 -5.04686 -14.2991 10.1927 -14.2991 28.939 -10.3036 10.1927 -10.3036 4.47695 GPRESSAVG: 2924200 -3.82142 -11.7012 10.806 -15.2939 26.9779 -9.47288 9.64592 -10.1408 5.05796 TIMING: 2924200 CPU: 9305.48, 0.00311852/step Wall: 9305.48, 0.00311852/step, 1.79817 hours remaining, 241.523438 MB of memory in use. ENERGY: 2924200 4036.0459 20579.7224 14438.8293 259.2946 -204006.5461 3071.1207 0.0000 0.0000 52348.7442 -109272.7890 300.8490 -161621.5332 -108913.1213 299.6259 369.2911 395.8764 758465.9295 9.4563 9.4048 LDB: ============= START OF LOAD BALANCING ============== 9317.93 LDB: ============== END OF LOAD BALANCING =============== 9317.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9317.93 LDB: ============= START OF LOAD BALANCING ============== 9318.24 LDB: Largest compute 7048 load 0.034552 is 17.7% of average load 0.195312 LDB: Average compute 0.004389 is 2.2% of average load 0.195312 LDB: TIME 9318.25 LOAD: AVG 0.195312 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 9318.25 LOAD: AVG 0.195312 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: TIME 9318.25 LOAD: AVG 0.195312 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: ============== END OF LOAD BALANCING =============== 9318.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9318.25 PRESSURE: 2924400 -552.089 -163.9 49.2755 -163.901 -223.133 -239.448 49.2746 -239.449 155.705 GPRESSURE: 2924400 -424.908 -184.088 -3.32595 -159.944 -234.258 -263.872 -55.5275 -265.144 117.746 PRESSAVG: 2924400 -4.27985 31.7909 72.6562 31.7909 -17.3768 -37.7136 72.6561 -37.7135 2.57882 GPRESSAVG: 2924400 -5.36881 31.4574 73.3204 32.2809 -16.5407 -38.2195 72.2074 -38.7966 2.6379 TIMING: 2924400 CPU: 9306.12, 0.00319003/step Wall: 9306.12, 0.00319003/step, 1.83923 hours remaining, 241.066406 MB of memory in use. ENERGY: 2924400 3930.0962 20430.3451 14496.5406 242.1175 -202973.2057 2395.2181 0.0000 0.0000 52219.3699 -109259.5184 300.1054 -161478.8883 -108890.9621 299.6541 -206.5057 -180.4732 762691.3770 -6.3593 -6.4239 PRESSURE: 2924600 206.275 110.539 79.7128 110.539 336.141 167.344 79.7122 167.344 253.68 GPRESSURE: 2924600 193.276 73.8698 82.0476 44.9389 383.182 197.853 -0.148342 74.7122 310.332 PRESSAVG: 2924600 13.0284 25.6801 64.5938 25.6801 -6.25168 -31.0917 64.5938 -31.0918 -13.0812 GPRESSAVG: 2924600 12.8926 23.95 65.4132 24.0363 -6.28238 -33.4498 63.5764 -28.4122 -12.8832 TIMING: 2924600 CPU: 9306.75, 0.00313599/step Wall: 9306.75, 0.00313599/step, 1.8079 hours remaining, 241.136719 MB of memory in use. ENERGY: 2924600 4037.3159 20745.3695 14518.8447 237.5032 -203206.8742 2481.1357 0.0000 0.0000 51961.1320 -109225.5730 298.6213 -161186.7051 -108872.0247 299.6837 265.3652 295.5969 761390.4668 -2.1015 -2.0910 PRESSURE: 2924800 28.8251 -66.9138 -258.803 -66.9141 -81.804 178.203 -258.804 178.203 -373.206 GPRESSURE: 2924800 56.2171 -60.5963 -257.552 -25.0709 -53.8471 138.584 -239.407 174.833 -342.512 PRESSAVG: 2924800 -18.7197 24.7783 -22.011 24.7784 59.8373 12.7556 -22.011 12.7556 -21.3632 GPRESSAVG: 2924800 -19.1655 26.0377 -23.5316 25.3332 60.3823 12.7413 -20.9686 11.8458 -21.1697 TIMING: 2924800 CPU: 9307.37, 0.00313272/step Wall: 9307.37, 0.00313272/step, 1.80584 hours remaining, 241.136719 MB of memory in use. ENERGY: 2924800 4095.5682 20672.0313 14463.5224 254.6320 -203595.7287 2794.9365 0.0000 0.0000 52120.0039 -109195.0343 299.5344 -161315.0383 -108842.3024 300.3096 -142.0617 -113.3806 761644.7069 6.5848 6.6824 PRESSURE: 2925000 -119.964 108.799 135.813 108.799 157.957 -93.5282 135.813 -93.5289 46.3595 GPRESSURE: 2925000 -34.582 117.001 92.6417 -12.891 184.823 -137.163 239.785 -117.308 11.3743 PRESSAVG: 2925000 26.9009 10.7185 -36.875 10.7186 -2.66643 22.2297 -36.875 22.2297 10.4769 GPRESSAVG: 2925000 27.2221 10.8491 -36.6811 10.0708 -4.32075 20.5845 -34.6158 23.1856 11.0764 TIMING: 2925000 CPU: 9308, 0.00313556/step Wall: 9308, 0.00313556/step, 1.8073 hours remaining, 241.136719 MB of memory in use. ENERGY: 2925000 4036.4569 20675.8058 14471.0619 248.6485 -203299.5493 2747.7710 0.0000 0.0000 52242.5279 -108877.2772 300.2385 -161119.8051 -108512.6282 300.6910 28.1175 53.8719 761320.3767 11.5705 11.3259 PRESSURE: 2925200 -591.39 88.0411 -96.4589 88.0406 -460.009 10.8969 -96.4587 10.8958 -444.474 GPRESSURE: 2925200 -456.199 -45.592 -113.284 12.6227 -473.235 9.43142 -125.297 -23.8228 -459.694 PRESSAVG: 2925200 17.8644 -10.825 16.5504 -10.825 -14.7526 10.2386 16.5504 10.2386 -6.95653 GPRESSAVG: 2925200 17.4606 -11.4899 16.897 -10.3088 -14.1107 13.621 15.4743 8.20305 -7.62499 TIMING: 2925200 CPU: 9308.63, 0.0031569/step Wall: 9308.63, 0.0031569/step, 1.81943 hours remaining, 241.136719 MB of memory in use. ENERGY: 2925200 4052.8565 20617.1698 14434.7281 245.7872 -202776.5816 2264.1076 0.0000 0.0000 52146.8712 -109015.0612 299.6888 -161161.9324 -108634.0470 300.8356 -498.6242 -463.0426 764136.8574 -1.2816 -1.4250 PRESSURE: 2925400 -101.464 -102.561 115.599 -102.561 -375.114 -60.0791 115.599 -60.0792 120.94 GPRESSURE: 2925400 -120.818 -83.3514 157.345 -162.605 -271.617 -32.7597 -85.9685 32.2617 128.379 PRESSAVG: 2925400 15.6486 19.836 76.4988 19.8361 13.0781 60.4231 76.4987 60.4231 20.2724 GPRESSAVG: 2925400 16.0386 18.5483 76.9369 20.5152 13.1708 60.8139 73.586 61.7576 19.9375 TIMING: 2925400 CPU: 9309.26, 0.00315216/step Wall: 9309.26, 0.00315216/step, 1.81652 hours remaining, 241.136719 MB of memory in use. ENERGY: 2925400 4029.4338 20526.1260 14439.3040 244.8019 -203005.0984 2440.3917 0.0000 0.0000 52261.0361 -109064.0047 300.3449 -161325.0409 -108702.0246 300.2388 -118.5458 -88.0187 762162.6483 16.3330 16.3823 PRESSURE: 2925600 -84.5863 -25.3856 3.85441 -25.3861 -181.7 -105.707 3.85551 -105.708 54.6253 GPRESSURE: 2925600 -9.60793 31.9581 -42.5267 -60.3513 -115.835 -61.5688 33.1831 -55.9177 -1.99214 PRESSAVG: 2925600 -3.07261 35.3139 18.4324 35.3139 16.3308 -33.8388 18.4324 -33.8389 9.70633 GPRESSAVG: 2925600 -3.01414 36.0594 18.2666 36.339 16.4865 -34.2333 20.3557 -34.1202 9.40608 TIMING: 2925600 CPU: 9309.89, 0.00315392/step Wall: 9309.89, 0.00315392/step, 1.81736 hours remaining, 241.136719 MB of memory in use. ENERGY: 2925600 3990.5141 20575.3792 14460.4417 249.7065 -203058.4310 2519.0943 0.0000 0.0000 52145.5149 -109117.7803 299.6810 -161263.2952 -108740.2952 300.0411 -70.5535 -42.4783 760829.8958 7.6549 7.6261 PRESSURE: 2925800 -114.88 -40.1306 -56.0803 -40.1301 39.3186 -41.213 -56.0796 -41.2139 -142.57 GPRESSURE: 2925800 -32.8082 42.4162 -48.6192 -31.8041 50.1389 -97.8293 -48.1507 -64.2492 -132.847 PRESSAVG: 2925800 -8.78554 -14.9611 0.766213 -14.961 21.0037 -15.7295 0.766248 -15.7295 -35.4405 GPRESSAVG: 2925800 -9.09339 -15.2819 1.36312 -15.5661 21.1633 -15.5947 0.121751 -17.9232 -35.1783 TIMING: 2925800 CPU: 9310.52, 0.00313183/step Wall: 9310.52, 0.00313183/step, 1.80446 hours remaining, 241.136719 MB of memory in use. ENERGY: 2925800 4023.1522 20623.2171 14362.6414 244.8015 -203044.0552 2556.6915 0.0000 0.0000 52020.0195 -109213.5319 298.9598 -161233.5515 -108854.2206 299.5813 -72.7107 -38.5054 762281.8360 -7.7408 -7.7028 PRESSURE: 2926000 165.821 118.131 173.406 118.132 97.1736 263.069 173.407 263.07 -218.403 GPRESSURE: 2926000 230.382 92.6025 253.755 84.8183 139.126 294.372 215.371 222.366 -227.555 PRESSAVG: 2926000 0.464824 64.7601 10.015 64.7601 47.191 13.9413 10.015 13.9413 15.3252 GPRESSAVG: 2926000 1.17227 65.5646 8.57805 63.6235 47.4711 13.2365 11.5156 16.641 15.1218 TIMING: 2926000 CPU: 9311.14, 0.00312416/step Wall: 9311.14, 0.00312416/step, 1.79986 hours remaining, 241.136719 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: 2926000 3991.9133 20593.0127 14487.1455 240.4869 -203123.0279 2557.9530 0.0000 0.0000 52099.7591 -109152.7575 299.4180 -161252.5166 -108794.3579 299.8950 14.8640 47.3179 762482.8259 20.9936 21.2551 PRESSURE: 2926200 110.951 218.345 -41.4162 218.344 204.456 -93.2499 -41.417 -93.2504 -78.8895 GPRESSURE: 2926200 126.6 154.92 -1.327 222.374 207.663 -103.425 -186.521 -51.6278 -26.3792 PRESSAVG: 2926200 14.3512 39.0324 21.3473 39.0325 5.84982 -19.3354 21.3473 -19.3355 -21.2585 GPRESSAVG: 2926200 15.6976 40.3743 22.1399 37.5979 4.98204 -22.9848 19.1518 -18.8223 -21.3132 TIMING: 2926200 CPU: 9311.77, 0.00312612/step Wall: 9311.77, 0.00312612/step, 1.80082 hours remaining, 241.136719 MB of memory in use. ENERGY: 2926200 3932.7593 20397.3912 14408.2507 252.5911 -203013.9664 2748.7605 0.0000 0.0000 52061.7505 -109212.4629 299.1996 -161274.2134 -108854.3377 299.8564 78.8392 102.6278 762647.5535 -0.3525 -0.2112 PRESSURE: 2926400 -211.464 -2.34237 151.81 -2.34184 78.6499 33.3723 151.809 33.3718 -454.484 GPRESSURE: 2926400 -90.5116 126.745 136.22 -2.33992 -45.8345 -11.6924 161.006 1.47485 -346.536 PRESSAVG: 2926400 -14.6834 8.68579 50.6585 8.68582 -14.2385 -21.2038 50.6584 -21.2038 41.69 GPRESSAVG: 2926400 -14.5264 5.84386 52.322 11.8702 -14.8768 -18.1415 51.8755 -23.112 41.9531 TIMING: 2926400 CPU: 9312.39, 0.00312733/step Wall: 9312.39, 0.00312733/step, 1.80134 hours remaining, 241.136719 MB of memory in use. ENERGY: 2926400 4008.8893 20615.9009 14378.0501 245.4763 -203187.5994 2749.0359 0.0000 0.0000 52153.1130 -109037.1339 299.7247 -161190.2469 -108687.6067 300.0832 -195.7662 -160.9608 762437.7363 4.2560 4.1833 PRESSURE: 2926600 -225.418 -120.193 134.978 -120.193 71.1379 215.216 134.978 215.215 248.474 GPRESSURE: 2926600 -227.575 -170.661 111.476 -68.687 226.859 237.189 95.9664 223.763 202.364 PRESSAVG: 2926600 8.50758 0.708946 26.1727 0.709 20.8995 28.7231 26.1727 28.7231 -2.73914 GPRESSAVG: 2926600 6.07929 2.55621 24.0064 -0.242521 24.0283 30.575 26.299 29.5411 -3.35938 TIMING: 2926600 CPU: 9313.02, 0.00312328/step Wall: 9313.02, 0.00312328/step, 1.79883 hours remaining, 241.136719 MB of memory in use. ENERGY: 2926600 3998.4612 20395.0592 14386.9206 260.6504 -203232.1685 2732.7216 0.0000 0.0000 52324.4167 -109133.9387 300.7091 -161458.3554 -108758.1511 300.1578 31.3981 67.2162 763653.0903 8.8893 8.9161 PRESSURE: 2926800 -134.169 -19.6763 -81.5689 -19.6755 119.054 20.2996 -81.5688 20.2997 55.513 GPRESSURE: 2926800 -49.2195 -96.681 -82.2652 -62.1897 52.022 -19.6492 -63.8127 -67.6819 106.387 PRESSAVG: 2926800 -59.9359 -29.169 -11.8039 -29.1689 13.1843 -29.214 -11.8039 -29.214 -15.5947 GPRESSAVG: 2926800 -59.7447 -29.8569 -11.3711 -29.6541 12.1157 -30.662 -12.3118 -29.9177 -14.8375 TIMING: 2926800 CPU: 9313.65, 0.00313352/step Wall: 9313.65, 0.00313352/step, 1.80456 hours remaining, 241.136719 MB of memory in use. ENERGY: 2926800 3965.6687 20472.8575 14379.0000 268.8000 -202746.8358 2193.2131 0.0000 0.0000 52203.0963 -109264.2001 300.0119 -161467.2965 -108899.0449 299.7823 13.4658 36.3966 763084.1166 -20.7821 -20.8221 PRESSURE: 2927000 83.4844 -191.751 69.8569 -191.751 -213.354 127.854 69.8575 127.853 8.72359 GPRESSURE: 2927000 76.0006 -146.593 -28.7039 -120.497 -129.957 137.896 112.431 190.677 27.0006 PRESSAVG: 2927000 -15.4936 33.8268 50.8628 33.8268 41.853 7.29578 50.8629 7.29581 20.6728 GPRESSAVG: 2927000 -14.3817 34.1273 50.321 34.3506 40.9074 7.18222 51.0298 6.88531 20.9444 TIMING: 2927000 CPU: 9314.27, 0.00313702/step Wall: 9314.27, 0.00313702/step, 1.8064 hours remaining, 241.136719 MB of memory in use. ENERGY: 2927000 3986.3518 20450.1856 14462.8175 248.9792 -203263.6143 2585.8582 0.0000 0.0000 52243.0121 -109286.4099 300.2413 -161529.4220 -108924.3888 299.6748 -40.3821 -8.9852 761280.0613 15.6774 15.8234 PRESSURE: 2927200 56.4732 113.449 -246.677 113.448 155.022 49.5207 -246.677 49.5211 202.696 GPRESSURE: 2927200 104.562 28.2843 -106.993 251.614 101.621 -93.7005 -355.586 133.864 297.776 PRESSAVG: 2927200 -58.5698 -19.1716 5.93489 -19.1716 14.006 14.6321 5.93492 14.6321 -20.3606 GPRESSAVG: 2927200 -58.6612 -18.6481 5.93037 -19.694 14.4209 14.6978 6.78901 15.8013 -20.1374 TIMING: 2927200 CPU: 9314.9, 0.00315919/step Wall: 9314.9, 0.00315919/step, 1.81899 hours remaining, 241.136719 MB of memory in use. ENERGY: 2927200 3948.8109 20364.8983 14461.2453 247.0626 -203406.2031 2542.2117 0.0000 0.0000 52292.3533 -109549.6211 300.5249 -161841.9743 -109182.0352 299.0700 138.0637 167.9866 761256.3087 -21.6414 -21.4592 PRESSURE: 2927400 -208.07 137.696 -149.12 137.696 -256.675 37.1414 -149.121 37.1416 180.891 GPRESSURE: 2927400 -211.286 186.654 -182.655 127.975 -121.51 106.408 -134.931 -62.7226 132.284 PRESSAVG: 2927400 37.8423 6.89495 34.4864 6.89493 16.0565 -4.19025 34.4864 -4.19019 14.2587 GPRESSAVG: 2927400 38.0412 5.5233 35.4928 7.15403 14.9903 -3.03188 36.9229 -6.70709 15.2391 TIMING: 2927400 CPU: 9315.53, 0.00314681/step Wall: 9315.53, 0.00314681/step, 1.81169 hours remaining, 241.136719 MB of memory in use. ENERGY: 2927400 4064.0824 20395.2178 14457.8859 234.9586 -203201.1941 2328.4459 0.0000 0.0000 52117.3356 -109603.2678 299.5190 -161720.6035 -109237.5171 299.4178 -94.6180 -66.8373 761650.2006 22.7192 22.7569 PRESSURE: 2927600 291.704 -86.8661 -1.45421 -86.8668 141.936 -199.991 -1.45423 -199.991 116.039 GPRESSURE: 2927600 295.055 -18.5678 51.6623 -22.7938 212.531 -228.271 11.0478 -131.881 133.4 PRESSAVG: 2927600 -18.2443 12.7916 -8.769 12.7917 -14.3619 -12.8516 -8.76897 -12.8515 23.8524 GPRESSAVG: 2927600 -18.0875 14.1942 -9.2391 12.3899 -13.8701 -14.7738 -11.4529 -10.017 22.9319 TIMING: 2927600 CPU: 9316.16, 0.00313393/step Wall: 9316.16, 0.00313393/step, 1.8041 hours remaining, 241.136719 MB of memory in use. ENERGY: 2927600 3994.0704 20590.0768 14475.3347 247.7703 -204112.0817 2998.2446 0.0000 0.0000 52155.6888 -109650.8960 299.7395 -161806.5849 -109283.7126 299.3551 183.2265 213.6618 759413.6900 -2.9179 -3.0086 PRESSURE: 2927800 132.206 -31.3685 108.232 -31.3689 132.092 20.9494 108.232 20.9487 0.186567 GPRESSURE: 2927800 98.3215 -26.6655 45.351 31.5859 171.631 -23.1004 14.1428 -13.4892 68.1642 PRESSAVG: 2927800 14.8471 -25.7314 -16.6515 -25.7314 -25.8841 -2.82622 -16.6514 -2.82632 24.3824 GPRESSAVG: 2927800 13.6886 -27.7735 -17.1418 -25.9537 -26.0407 -2.2725 -18.0182 -2.97389 25.3805 TIMING: 2927800 CPU: 9316.79, 0.00313209/step Wall: 9316.79, 0.00313209/step, 1.80286 hours remaining, 241.136719 MB of memory in use. ENERGY: 2927800 3977.2555 20515.7033 14405.7746 241.6350 -203668.0642 2773.4558 0.0000 0.0000 52063.1341 -109691.1060 299.2075 -161754.2401 -109322.7032 299.2022 88.1616 112.7057 760794.1563 4.4485 4.3428 PRESSURE: 2928000 76.982 179.557 180.011 179.557 146.869 230.398 180.011 230.398 226.598 GPRESSURE: 2928000 80.1024 -4.51102 199.228 -18.6764 247.245 251.365 221.738 80.5889 206.101 PRESSAVG: 2928000 -10.6059 -8.64241 38.0041 -8.64236 28.275 -33.8188 38.0041 -33.8188 4.64124 GPRESSAVG: 2928000 -8.98654 -8.93896 38.0342 -9.94405 27.9739 -33.6352 38.5964 -37.2723 3.10206 TIMING: 2928000 CPU: 9317.41, 0.00312147/step Wall: 9317.41, 0.00312147/step, 1.79658 hours remaining, 241.136719 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: 2928000 4003.0655 20542.8214 14482.7915 231.1587 -203846.0240 2938.4127 0.0000 0.0000 52106.8872 -109540.8869 299.4590 -161647.7741 -109177.4053 299.3121 150.1495 177.8163 760454.1760 7.4368 7.3631 PRESSURE: 2928200 29.5497 60.2682 -104.47 60.2682 22.0292 95.0441 -104.47 95.044 666.007 GPRESSURE: 2928200 84.513 58.7576 -54.9541 -5.5175 40.4483 119.516 -52.055 59.6465 684.904 PRESSAVG: 2928200 9.50052 13.6957 23.1599 13.6956 -6.06742 -5.23351 23.16 -5.23346 -3.00258 GPRESSAVG: 2928200 9.42586 13.9353 21.2505 14.5224 -5.62282 -5.7232 23.7175 -3.86722 -3.07703 TIMING: 2928200 CPU: 9318.04, 0.00313351/step Wall: 9318.04, 0.00313351/step, 1.80334 hours remaining, 241.136719 MB of memory in use. ENERGY: 2928200 3949.8008 20587.6943 14479.5146 258.0697 -203575.6351 2791.4759 0.0000 0.0000 51998.1623 -109510.9175 298.8342 -161509.0798 -109152.8129 299.1628 239.1952 269.9550 762395.6285 0.1435 0.2420 LDB: ============= START OF LOAD BALANCING ============== 9330.49 LDB: ============== END OF LOAD BALANCING =============== 9330.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9330.49 LDB: ============= START OF LOAD BALANCING ============== 9330.8 LDB: Largest compute 7073 load 0.034810 is 17.8% of average load 0.195283 LDB: Average compute 0.004380 is 2.2% of average load 0.195283 LDB: TIME 9330.81 LOAD: AVG 0.195283 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 9330.81 LOAD: AVG 0.195283 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: TIME 9330.81 LOAD: AVG 0.195283 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: ============== END OF LOAD BALANCING =============== 9330.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9330.82 PRESSURE: 2928400 300.752 38.4209 166.878 38.4203 58.7524 -58.5182 166.877 -58.5172 -14.8567 GPRESSURE: 2928400 220.132 74.6651 142.447 82.0822 148.675 -90.7755 207.848 -38.7499 50.2842 PRESSAVG: 2928400 -35.2393 20.246 44.2723 20.2461 15.0769 13.7492 44.2722 13.7492 2.01702 GPRESSAVG: 2928400 -36.1571 21.1859 47.5165 20.4681 15.104 15.0615 44.646 15.2071 2.60079 TIMING: 2928400 CPU: 9318.68, 0.00320748/step Wall: 9318.68, 0.00320748/step, 1.84573 hours remaining, 240.480469 MB of memory in use. ENERGY: 2928400 3960.3848 20514.8104 14536.8245 251.6262 -203409.4178 2518.9918 0.0000 0.0000 51976.4858 -109650.2944 298.7096 -161626.7802 -109286.6633 299.2821 114.8826 139.6974 762379.8802 -6.0485 -6.1507 PRESSURE: 2928600 -121.953 -24.8933 -69.2276 -24.8937 89.6593 -146.302 -69.2271 -146.303 360.682 GPRESSURE: 2928600 27.9262 -174.033 -128.425 -67.3493 66.5031 -116.882 25.042 -152.383 305.92 PRESSAVG: 2928600 23.3355 -65.6946 68.5311 -65.6946 -10.3249 4.74593 68.5311 4.74592 1.53688 GPRESSAVG: 2928600 22.2461 -66.6559 66.4339 -66.07 -9.62363 2.83397 69.6291 4.18572 1.3756 TIMING: 2928600 CPU: 9319.31, 0.00315084/step Wall: 9319.31, 0.00315084/step, 1.81296 hours remaining, 240.480469 MB of memory in use. ENERGY: 2928600 3901.3099 20678.7639 14558.6007 243.1123 -203353.8509 2437.3990 0.0000 0.0000 51804.8837 -109729.7814 297.7234 -161534.6651 -109369.6752 299.2041 109.4627 133.4498 761137.5243 4.8492 4.6660 PRESSURE: 2928800 -269.51 -12.954 -185.614 -12.9537 -441.259 -187.606 -185.613 -187.607 -232.773 GPRESSURE: 2928800 -273.41 -72.9632 -99.2093 19.8386 -346.277 -176.032 -252.84 -75.4805 -222.497 PRESSAVG: 2928800 7.85055 -3.88175 -24.303 -3.88175 2.69243 -5.21287 -24.303 -5.21286 5.58413 GPRESSAVG: 2928800 9.52881 -4.72147 -24.4988 -4.84029 1.85938 -4.60348 -24.4149 -3.4547 4.91962 TIMING: 2928800 CPU: 9319.94, 0.00314946/step Wall: 9319.94, 0.00314946/step, 1.81199 hours remaining, 240.480469 MB of memory in use. ENERGY: 2928800 4041.8600 20537.5021 14469.9220 250.3129 -203190.5004 2405.0036 0.0000 0.0000 51785.9043 -109699.9955 297.6143 -161485.8998 -109350.8544 298.9271 -314.5137 -280.7278 761908.4531 5.3757 5.4359 PRESSURE: 2929000 -496.497 143.107 251.554 143.107 -20.2203 154.763 251.554 154.765 -88.9078 GPRESSURE: 2929000 -355.721 103.724 203.384 96.9033 52.7359 191.107 164.924 34.2497 -213.054 PRESSAVG: 2929000 25.1562 49.891 -25.4047 49.8909 -29.8137 -16.4153 -25.4047 -16.4153 7.46903 GPRESSAVG: 2929000 24.8881 50.5433 -23.6577 52.3062 -28.4412 -15.7453 -26.9238 -17.8528 6.53606 TIMING: 2929000 CPU: 9320.57, 0.00315421/step Wall: 9320.57, 0.00315421/step, 1.81455 hours remaining, 240.480469 MB of memory in use. ENERGY: 2929000 4010.2731 20437.5647 14476.9055 248.6602 -203290.3001 2414.0711 0.0000 0.0000 52076.5063 -109626.3193 299.2844 -161702.8256 -109265.3134 298.7082 -201.8751 -172.0129 761532.4745 0.9372 0.9943 PRESSURE: 2929200 -386.103 100.399 85.0679 100.399 -471.654 -139.736 85.0686 -139.736 4.03672 GPRESSURE: 2929200 -262.105 183.113 39.9661 107.34 -421.045 -113.659 218.716 -106.887 -75.6732 PRESSAVG: 2929200 2.31995 39.6911 4.52625 39.6911 -12.6228 6.13888 4.52623 6.13891 -1.99998 GPRESSAVG: 2929200 2.50502 39.5637 4.48033 37.3141 -14.1443 6.685 5.22231 5.85921 -0.735189 TIMING: 2929200 CPU: 9321.2, 0.00314894/step Wall: 9321.2, 0.00314894/step, 1.81134 hours remaining, 240.480469 MB of memory in use. ENERGY: 2929200 4080.7389 20473.6604 14514.9544 246.7145 -203320.2584 2531.0974 0.0000 0.0000 51831.8558 -109641.2371 297.8784 -161473.0929 -109280.6903 298.9219 -284.5734 -252.9412 761207.6455 -4.1009 -4.1248 PRESSURE: 2929400 29.705 243.266 -27.3524 243.266 65.7836 57.2618 -27.3532 57.2627 -81.3475 GPRESSURE: 2929400 -21.5557 220.363 22.6218 168.048 172.336 60.3939 -64.6789 -5.07746 -60.7612 PRESSAVG: 2929400 21.313 14.0273 45.2038 14.0273 -82.0882 7.94515 45.2038 7.94526 -5.60269 GPRESSAVG: 2929400 20.99 13.7992 44.2215 13.9702 -80.9916 6.49236 46.1534 4.68692 -6.43475 TIMING: 2929400 CPU: 9321.83, 0.00314025/step Wall: 9321.83, 0.00314025/step, 1.80617 hours remaining, 240.480469 MB of memory in use. ENERGY: 2929400 4023.7644 20529.8835 14483.2470 247.8568 -203676.1638 2758.9587 0.0000 0.0000 51996.5438 -109635.9096 298.8249 -161632.4534 -109273.1137 298.7215 4.7137 30.0064 761782.2232 -22.1260 -22.1454 PRESSURE: 2929600 102.608 288.944 -215.319 288.944 -63.2224 -140.05 -215.32 -140.051 33.063 GPRESSURE: 2929600 122.248 301.861 -183.449 208.621 -70.7548 -128.194 -153.214 -52.2301 121.003 PRESSAVG: 2929600 102.527 43.5785 17.8331 43.5785 -58.9949 -38.3447 17.833 -38.3447 10.8452 GPRESSAVG: 2929600 102.288 43.3348 18.6463 44.9319 -59.067 -39.6156 16.8183 -34.0032 11.1786 TIMING: 2929600 CPU: 9322.45, 0.00312093/step Wall: 9322.45, 0.00312093/step, 1.79488 hours remaining, 240.480469 MB of memory in use. ENERGY: 2929600 3963.9638 20558.6379 14399.3317 244.1051 -203531.5045 2624.9951 0.0000 0.0000 52036.7970 -109703.6739 299.0562 -161740.4709 -109337.7496 299.1868 24.1495 57.4986 760499.9583 18.1259 18.1331 PRESSURE: 2929800 317.482 -28.6273 179.761 -28.6267 162.259 -51.5297 179.761 -51.529 98.4993 GPRESSURE: 2929800 287.41 -52.5526 112.479 26.7355 245.707 -35.0326 212.703 -113.072 136.452 PRESSAVG: 2929800 35.7383 34.5067 10.7328 34.5067 -7.76268 -94.2798 10.7328 -94.2798 -12.8087 GPRESSAVG: 2929800 35.8985 34.2225 10.7743 34.5208 -8.17517 -93.2839 11.4816 -93.6016 -12.3113 TIMING: 2929800 CPU: 9323.08, 0.00312875/step Wall: 9323.08, 0.00312875/step, 1.79921 hours remaining, 240.480469 MB of memory in use. ENERGY: 2929800 3880.6926 20423.7309 14458.9804 246.1464 -203401.0425 2331.2433 0.0000 0.0000 52256.6204 -109803.6286 300.3195 -162060.2491 -109442.6373 299.1329 192.7470 223.1897 760097.7697 5.0557 5.1373 PRESSURE: 2930000 -268.836 181.34 301.177 181.34 -113.528 80.213 301.176 80.2134 -434.869 GPRESSURE: 2930000 -186.663 116.237 210.598 139.156 -141.023 83.057 267.3 -130.114 -395.515 PRESSAVG: 2930000 5.09994 41.7686 54.7453 41.7685 0.141922 24.3758 54.7453 24.3759 9.83489 GPRESSAVG: 2930000 4.9422 40.4641 53.9334 40.5357 1.22233 24.7087 53.0347 19.0738 9.50061 TIMING: 2930000 CPU: 9323.71, 0.00314496/step Wall: 9323.71, 0.00314496/step, 1.80835 hours remaining, 240.480469 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: 2930000 3999.3910 20641.7234 14419.5764 235.8689 -203497.3851 2424.4269 0.0000 0.0000 52189.7650 -109586.6336 299.9353 -161776.3986 -109210.5237 299.1246 -272.4111 -241.0669 762058.8085 5.0256 5.2217 PRESSURE: 2930200 -187.844 9.94748 92.4609 9.94793 -342.657 125.697 92.4604 125.696 164.622 GPRESSURE: 2930200 -145.733 -2.45945 80.9892 13.7063 -257.147 70.781 128.914 148.236 131.09 PRESSAVG: 2930200 57.4331 27.0024 -28.9665 27.0024 -29.3363 14.1597 -28.9665 14.1596 -14.5157 GPRESSAVG: 2930200 57.5557 27.4196 -28.2137 27.2627 -29.5315 14.6555 -26.9189 14.2136 -13.8512 TIMING: 2930200 CPU: 9324.34, 0.00314209/step Wall: 9324.34, 0.00314209/step, 1.80653 hours remaining, 240.480469 MB of memory in use. ENERGY: 2930200 4048.5525 20400.4574 14454.5163 257.6480 -203775.5545 2575.1302 0.0000 0.0000 52158.2592 -109880.9908 299.7542 -162039.2501 -109512.2932 298.7258 -121.9594 -90.5968 759478.7904 4.5270 4.7243 PRESSURE: 2930400 111.714 -243.211 67.2376 -243.212 -266.202 -119.953 67.238 -119.953 -410.76 GPRESSURE: 2930400 147.819 -194.566 113.476 -179.008 -220.309 -98.7555 33.2952 -90.3668 -385.932 PRESSAVG: 2930400 62.4716 19.3606 59.7494 19.3606 -6.48358 14.0083 59.7495 14.0082 -11.6308 GPRESSAVG: 2930400 62.7868 18.3256 59.3541 20.9384 -7.30695 12.8119 57.8584 17.5126 -11.7 TIMING: 2930400 CPU: 9324.97, 0.0031513/step Wall: 9324.97, 0.0031513/step, 1.81165 hours remaining, 240.480469 MB of memory in use. ENERGY: 2930400 3958.8521 20587.9522 14492.1558 241.1306 -203480.3929 2464.3772 0.0000 0.0000 51893.2100 -109842.7150 298.2310 -161735.9250 -109486.7682 298.7285 -188.4159 -152.8070 758602.4336 14.7857 14.5933 PRESSURE: 2930600 -211.66 62.6564 -17.211 62.6575 -718.407 29.0958 -17.211 29.096 -311.393 GPRESSURE: 2930600 -229.501 -11.1508 -124.734 -10.3651 -566.194 39.386 90.9387 9.24432 -341.559 PRESSAVG: 2930600 54.0367 -19.1645 40.3488 -19.1646 -52.6782 -27.2519 40.3488 -27.2519 26.8094 GPRESSAVG: 2930600 53.8694 -16.6979 40.4826 -20.2655 -51.6758 -26.6276 40.8691 -28.4766 26.2715 TIMING: 2930600 CPU: 9325.59, 0.00313377/step Wall: 9325.59, 0.00313377/step, 1.8014 hours remaining, 240.480469 MB of memory in use. ENERGY: 2930600 3993.8940 20510.7626 14420.1132 264.2944 -203309.4230 2249.9176 0.0000 0.0000 52090.8537 -109779.5875 299.3669 -161870.4412 -109416.8526 298.9996 -413.8200 -379.0844 760445.3930 9.3893 9.4884 PRESSURE: 2930800 -158.091 -89.0277 45.0562 -89.0277 -320.32 74.0042 45.0563 74.0048 -81.0666 GPRESSURE: 2930800 -159.997 -65.5704 -14.0244 1.50536 -249.213 19.3519 -28.0454 156.385 -65.0886 PRESSAVG: 2930800 67.6092 -16.8104 41.5465 -16.8103 -8.06733 17.4553 41.5466 17.4553 2.5652 GPRESSAVG: 2930800 67.5136 -18.2403 39.6377 -18.0857 -9.07031 16.8869 41.7595 18.7198 3.73441 TIMING: 2930800 CPU: 9326.22, 0.00313825/step Wall: 9326.22, 0.00313825/step, 1.8038 hours remaining, 240.480469 MB of memory in use. ENERGY: 2930800 3928.9725 20665.4753 14441.7307 241.5170 -203662.7691 2457.4878 0.0000 0.0000 51963.3495 -109964.2362 298.6341 -161927.5857 -109600.6906 298.9965 -186.4927 -158.0993 761150.0264 20.7023 20.7259 PRESSURE: 2931000 -118.703 19.0545 175.059 19.056 136.308 19.2297 175.059 19.2297 -17.1852 GPRESSURE: 2931000 -4.14257 42.365 203.334 64.1427 85.8692 -16.3083 172.723 -86.0329 7.54675 PRESSAVG: 2931000 -34.4915 20.3826 -25.7667 20.3826 -6.16478 15.157 -25.7666 15.1571 4.53434 GPRESSAVG: 2931000 -33.2703 21.1673 -23.6811 23.0458 -5.80383 15.0192 -29.6407 11.7377 3.9791 TIMING: 2931000 CPU: 9326.85, 0.00313096/step Wall: 9326.85, 0.00313096/step, 1.79943 hours remaining, 240.480469 MB of memory in use. ENERGY: 2931000 3949.3204 20375.0630 14356.8856 254.6881 -203634.7217 2753.8149 0.0000 0.0000 51953.4718 -109991.4780 298.5773 -161944.9498 -109632.8474 298.4423 0.1400 29.7578 760210.6029 -12.0407 -11.6984 PRESSURE: 2931200 -34.4856 139.171 259.579 139.17 411.376 27.9725 259.58 27.973 292.31 GPRESSURE: 2931200 70.8367 106.623 157.307 161.961 406.846 -17.0861 256.283 67.0772 273.787 PRESSAVG: 2931200 57.6815 -4.26527 44.4717 -4.26527 -14.6228 34.7568 44.4717 34.7568 0.374128 GPRESSAVG: 2931200 58.0122 -4.17524 43.5196 -5.36418 -15.4004 36.3477 48.1267 35.3649 1.02105 TIMING: 2931200 CPU: 9327.47, 0.00312732/step Wall: 9327.47, 0.00312732/step, 1.79717 hours remaining, 240.480469 MB of memory in use. ENERGY: 2931200 3971.1610 20463.5621 14373.5173 232.3076 -203665.8208 2595.0482 0.0000 0.0000 52001.0294 -110029.1951 298.8506 -162030.2246 -109667.9447 298.3236 223.0666 250.4899 761337.3111 14.4776 14.5443 PRESSURE: 2931400 -263.904 104.393 -92.9187 104.394 -176.312 -127.409 -92.919 -127.409 -350.302 GPRESSURE: 2931400 -160.871 115.587 -173.155 3.88852 -196.408 -29.414 -97.1848 -93.5877 -330.607 PRESSAVG: 2931400 -44.1652 -22.9521 10.9783 -22.9521 -2.36612 20.0372 10.9783 20.0372 18.3323 GPRESSAVG: 2931400 -44.5041 -20.8792 11.7378 -21.7076 -1.53913 18.3445 10.5655 22.9028 16.9867 TIMING: 2931400 CPU: 9328.1, 0.00311973/step Wall: 9328.1, 0.00311973/step, 1.79263 hours remaining, 240.480469 MB of memory in use. ENERGY: 2931400 3920.4625 20420.5723 14446.8552 245.3066 -203353.3255 2439.4168 0.0000 0.0000 51833.3071 -110047.4050 297.8867 -161880.7121 -109692.7052 298.0342 -263.5063 -229.2952 761158.4990 -9.3997 -9.6855 PRESSURE: 2931600 487.268 -134.853 62.798 -134.853 280.114 113.25 62.7976 113.249 27.286 GPRESSURE: 2931600 469.445 -157.19 10.2924 -206.76 270.3 75.8411 27.4343 77.4487 127.732 PRESSAVG: 2931600 43.9174 51.0234 32.6926 51.0234 -6.51339 -17.4176 32.6927 -17.4177 15.0788 GPRESSAVG: 2931600 42.6723 49.6191 32.0658 48.7295 -6.52881 -17.2728 30.7612 -17.5152 15.9171 TIMING: 2931600 CPU: 9328.72, 0.00312817/step Wall: 9328.72, 0.00312817/step, 1.7973 hours remaining, 240.480469 MB of memory in use. ENERGY: 2931600 3970.0855 20229.2086 14462.7325 248.4322 -203632.4937 2641.6242 0.0000 0.0000 52019.3904 -110061.0203 298.9562 -162080.4106 -109694.2652 298.0621 264.8894 289.1592 759641.4241 17.4942 17.3535 PRESSURE: 2931800 -115.767 34.6694 -0.174026 34.6693 291.005 81.073 -0.173116 81.0731 49.5493 GPRESSURE: 2931800 -126.241 11.6552 19.1718 93.1145 338.394 105.273 -31.3803 -56.235 102.602 PRESSAVG: 2931800 15.7258 -4.73185 -16.5915 -4.73191 23.5582 20.1644 -16.5915 20.1644 17.2868 GPRESSAVG: 2931800 16.689 -5.93058 -15.4621 -5.67954 23.3632 20.7782 -15.8815 18.0668 16.5636 TIMING: 2931800 CPU: 9329.35, 0.00315561/step Wall: 9329.35, 0.00315561/step, 1.8129 hours remaining, 240.480469 MB of memory in use. ENERGY: 2931800 3953.0316 20267.4389 14489.1699 250.0503 -203270.4841 2315.0032 0.0000 0.0000 52122.9131 -109872.8771 299.5511 -161995.7902 -109508.0873 298.1597 74.9291 104.9183 759861.5567 18.8569 18.8719 PRESSURE: 2932000 -12.0566 43.6386 -97.1303 43.6388 200.448 182.501 -97.1297 182.5 377.722 GPRESSURE: 2932000 67.0716 130.484 -120.482 46.2785 267.589 130.673 -120.558 135.048 325.928 PRESSAVG: 2932000 -1.42002 -30.0236 9.989 -30.0235 -0.566594 -70.7466 9.98906 -70.7467 -16.1974 GPRESSAVG: 2932000 -0.867575 -28.0078 8.82073 -28.8172 -0.93651 -71.7509 10.1339 -68.263 -15.9003 TIMING: 2932000 CPU: 9329.99, 0.00319288/step Wall: 9329.99, 0.00319288/step, 1.83413 hours remaining, 240.480469 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: 2932000 3896.9113 20347.3493 14518.5033 266.1712 -203660.9710 2905.6626 0.0000 0.0000 51919.6454 -109806.7279 298.3829 -161726.3733 -109443.9472 298.4925 188.7043 220.1963 759824.3255 -6.0613 -5.9014 PRESSURE: 2932200 -29.838 -102.091 206.419 -102.091 -271.925 -158.347 206.418 -158.347 -426.006 GPRESSURE: 2932200 20.985 32.3978 204.427 -11.2902 -254.24 -81.6553 236.634 -160.428 -402.469 PRESSAVG: 2932200 57.3382 -22.3497 5.70202 -22.3497 -46.928 -51.6907 5.70202 -51.6906 -1.4752 GPRESSAVG: 2932200 56.5357 -23.4161 6.18145 -23.4751 -46.5276 -50.5892 5.57085 -55.3354 -0.87562 TIMING: 2932200 CPU: 9330.62, 0.00313633/step Wall: 9330.62, 0.00313633/step, 1.80147 hours remaining, 240.480469 MB of memory in use. ENERGY: 2932200 3993.6958 20513.5533 14415.8598 246.5781 -203228.0213 2358.6719 0.0000 0.0000 51882.3267 -109817.3357 298.1684 -161699.6624 -109456.7591 298.3104 -242.5897 -211.9079 760313.8759 2.9783 3.0442 LDB: ============= START OF LOAD BALANCING ============== 9343.07 LDB: ============== END OF LOAD BALANCING =============== 9343.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9343.07 LDB: ============= START OF LOAD BALANCING ============== 9343.38 LDB: Largest compute 7048 load 0.036283 is 18.6% of average load 0.195227 LDB: Average compute 0.004382 is 2.2% of average load 0.195227 LDB: TIME 9343.39 LOAD: AVG 0.195227 MAX 0.216959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 9343.39 LOAD: AVG 0.195227 MAX 0.216959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: TIME 9343.39 LOAD: AVG 0.195227 MAX 0.216959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: ============== END OF LOAD BALANCING =============== 9343.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9343.39 PRESSURE: 2932400 -39.2745 48.3959 99.9797 48.3959 -469.542 -388.494 99.9805 -388.493 229.243 GPRESSURE: 2932400 -42.081 118.619 82.6643 -61.0967 -438.46 -298.491 66.4043 -333.15 273.304 PRESSAVG: 2932400 55.9711 -41.9836 -24.6504 -41.9836 -57.1127 -37.1129 -24.6505 -37.1129 25.5281 GPRESSAVG: 2932400 57.3541 -42.62 -24.3737 -43.4737 -57.4218 -37.9156 -25.1919 -34.6458 24.5633 TIMING: 2932400 CPU: 9331.26, 0.00320357/step Wall: 9331.26, 0.00320357/step, 1.83992 hours remaining, 240.792969 MB of memory in use. ENERGY: 2932400 3966.3832 20437.9348 14533.3166 228.9706 -203617.7742 2555.8974 0.0000 0.0000 51852.4988 -110042.7728 297.9970 -161895.2716 -109678.4857 298.2771 -93.1910 -69.0791 759123.2982 8.1289 8.1652 PRESSURE: 2932600 1.22393 -84.6586 -339.701 -84.6585 -92.7658 142.579 -339.702 142.579 47.2836 GPRESSURE: 2932600 89.6164 -173.22 -318.127 -63.5589 -73.9179 140.479 -115.986 121.43 38.4597 PRESSAVG: 2932600 0.951705 0.310288 17.6592 0.310303 7.70552 6.20593 17.6592 6.20595 12.8322 GPRESSAVG: 2932600 0.553977 0.436453 17.5133 0.8718 7.64459 7.0089 17.4088 7.01452 13.1851 TIMING: 2932600 CPU: 9331.89, 0.0031587/step Wall: 9331.89, 0.0031587/step, 1.81397 hours remaining, 240.792969 MB of memory in use. ENERGY: 2932600 3869.6351 20432.3684 14441.5981 257.4997 -203474.5177 2553.2972 0.0000 0.0000 51863.9314 -110056.1879 298.0627 -161920.1193 -109695.1817 297.8329 -14.7528 18.0527 761978.3187 7.1631 7.1279 PRESSURE: 2932800 119.71 124.053 191.688 124.053 -75.809 48.0406 191.689 48.0414 -148.208 GPRESSURE: 2932800 69.0796 192.169 168.699 91.0885 23.8942 47.4129 171.684 71.2732 -105.122 PRESSAVG: 2932800 -8.88382 21.1518 8.05725 21.1518 -43.9314 31.8753 8.05724 31.8753 5.53946 GPRESSAVG: 2932800 -8.49051 21.4259 8.94557 23.0528 -44.1944 32.507 7.85723 28.7719 5.26271 TIMING: 2932800 CPU: 9332.52, 0.00314307/step Wall: 9332.52, 0.00314307/step, 1.80482 hours remaining, 240.792969 MB of memory in use. ENERGY: 2932800 3956.8350 20265.8122 14453.9345 231.9434 -203388.5082 2300.8254 0.0000 0.0000 52384.5570 -109794.6007 301.0548 -162179.1577 -109426.9155 298.4772 -34.7690 -4.0493 759228.2353 -15.7586 -15.8074 PRESSURE: 2933000 -54.833 -41.4463 11.3944 -41.4468 40.8766 -181.251 11.3949 -181.251 361.956 GPRESSURE: 2933000 184.383 -24.6438 29.3619 30.0003 -56.4037 -239.471 66.7798 -172.363 317.866 PRESSAVG: 2933000 34.6143 26.9943 41.3603 26.9944 -92.7585 13.5083 41.3602 13.5083 -27.9924 GPRESSAVG: 2933000 34.3452 27.5358 41.2637 24.5997 -92.9312 13.1805 41.6411 14.4331 -28.3164 TIMING: 2933000 CPU: 9333.15, 0.00313984/step Wall: 9333.15, 0.00313984/step, 1.80279 hours remaining, 240.792969 MB of memory in use. ENERGY: 2933000 4023.9783 20394.7235 14451.9055 254.9395 -203626.1313 2517.1008 0.0000 0.0000 51983.1731 -110000.3107 298.7480 -161983.4838 -109647.0449 298.9302 116.0000 148.6152 758913.0152 -28.7122 -28.9674 PRESSURE: 2933200 166.384 -116.748 -29.4483 -116.749 223.199 -141.798 -29.4483 -141.799 -240.648 GPRESSURE: 2933200 189.676 -1.27168 -25.6297 -149.797 234.566 -70.5148 -86.0634 -176.462 -189.104 PRESSAVG: 2933200 15.7672 -43.9129 20.8501 -43.913 -8.59868 -6.97196 20.8502 -6.97198 15.5786 GPRESSAVG: 2933200 15.1705 -44.4669 21.7099 -42.6436 -8.27588 -5.7839 19.3758 -7.60202 16.1914 TIMING: 2933200 CPU: 9333.78, 0.00314296/step Wall: 9333.78, 0.00314296/step, 1.80441 hours remaining, 240.792969 MB of memory in use. ENERGY: 2933200 3970.3880 20439.8192 14432.0599 248.0532 -203789.8145 2816.8394 0.0000 0.0000 51786.7243 -110095.9305 297.6190 -161882.6547 -109737.6567 298.7409 49.6450 78.3793 761197.0871 7.5824 7.6954 PRESSURE: 2933400 54.0163 122.563 -49.7889 122.563 -74.6294 -37.9939 -49.788 -37.9946 -324.239 GPRESSURE: 2933400 101.372 121.613 -21.1157 121.098 21.9765 -4.70922 -1.82645 -4.0739 -387.49 PRESSAVG: 2933400 62.8889 26.2167 50.7389 26.2166 -42.1041 16.2987 50.7388 16.2987 -6.56564 GPRESSAVG: 2933400 63.6334 24.7219 48.8395 29.1141 -43.3205 15.1635 49.7652 17.8854 -6.3465 TIMING: 2933400 CPU: 9334.41, 0.00315429/step Wall: 9334.41, 0.00315429/step, 1.81074 hours remaining, 240.792969 MB of memory in use. ENERGY: 2933400 3997.4554 20438.5253 14430.2330 223.9821 -203479.8562 2707.3339 0.0000 0.0000 51759.1192 -109923.2073 297.4604 -161682.3265 -109569.5871 297.9917 -114.9508 -88.0470 761785.8074 4.7397 4.6555 PRESSURE: 2933600 -97.5066 79.4896 110.998 79.4889 85.1857 162.239 110.998 162.238 27.2271 GPRESSURE: 2933600 -41.1895 14.0529 56.8683 116.981 107.636 113.391 120.911 208.659 24.421 PRESSAVG: 2933600 39.7073 1.39532 53.5371 1.39524 -32.3712 40.7502 53.537 40.7502 -19.4448 GPRESSAVG: 2933600 40.1144 1.11629 55.5961 -0.313543 -33.5892 39.2692 54.7762 40.9599 -18.6556 TIMING: 2933600 CPU: 9335.04, 0.00315479/step Wall: 9335.04, 0.00315479/step, 1.81085 hours remaining, 240.792969 MB of memory in use. ENERGY: 2933600 3918.6064 20329.8932 14460.2883 252.4609 -203410.9744 2634.7064 0.0000 0.0000 52010.7980 -109804.2213 298.9068 -161815.0192 -109432.9666 298.3870 4.9687 30.2892 761318.1189 -4.0362 -4.0435 PRESSURE: 2933800 257.381 285.341 72.1786 285.341 -40.3853 -101.706 72.1785 -101.706 390.315 GPRESSURE: 2933800 351.055 332.377 71.5013 108.539 -44.5477 -215.673 -0.705717 -110.151 406.117 PRESSAVG: 2933800 17.1546 48.4842 47.2337 48.4842 -18.7412 -21.9856 47.2337 -21.9855 20.5759 GPRESSAVG: 2933800 15.7913 50.2685 45.6097 48.2314 -15.5159 -21.2748 47.1587 -21.1206 18.8205 TIMING: 2933800 CPU: 9335.66, 0.00313467/step Wall: 9335.66, 0.00313467/step, 1.79913 hours remaining, 240.792969 MB of memory in use. ENERGY: 2933800 3990.5158 20494.1873 14517.0248 231.5198 -203676.1770 2843.8859 0.0000 0.0000 52017.0005 -109582.0428 298.9424 -161599.0433 -109225.0267 298.9095 202.4369 237.5413 760989.7296 6.3298 6.3653 PRESSURE: 2934000 -137.725 29.9244 228.391 29.9243 -108.074 30.4898 228.392 30.4893 -593.148 GPRESSURE: 2934000 -127.045 46.1844 191.965 54.3892 -205.654 49.2122 285.341 140.374 -440.82 PRESSAVG: 2934000 31.0732 45.1324 65.3538 45.1324 -30.5124 19.5723 65.3538 19.5724 -7.54027 GPRESSAVG: 2934000 31.7838 41.0777 66.5428 47.2957 -31.9919 20.3366 64.8254 19.3319 -7.40004 TIMING: 2934000 CPU: 9336.29, 0.00314663/step Wall: 9336.29, 0.00314663/step, 1.80581 hours remaining, 240.792969 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: 2934000 3985.0534 20443.9242 14445.4004 241.4972 -202995.8388 2249.9651 0.0000 0.0000 52030.5703 -109599.4281 299.0204 -161629.9984 -109235.5047 299.2745 -279.6489 -257.8397 762045.2491 -2.3265 -2.5360 PRESSURE: 2934200 -0.652571 -15.4471 -28.9085 -15.4472 -238.299 32.9648 -28.908 32.9655 367.295 GPRESSURE: 2934200 -45.1315 -64.6703 -66.1843 100.188 -134.087 -6.57172 -56.0711 13.0884 385.1 PRESSAVG: 2934200 80.9812 58.1145 -72.8783 58.1145 -63.842 -44.8367 -72.8784 -44.8368 6.81605 GPRESSAVG: 2934200 81.1675 60.1411 -76.1424 56.8176 -65.0783 -45.4916 -73.2783 -47.2169 7.67915 TIMING: 2934200 CPU: 9336.92, 0.00315369/step Wall: 9336.92, 0.00315369/step, 1.80969 hours remaining, 240.792969 MB of memory in use. ENERGY: 2934200 3961.7698 20637.9212 14575.5733 242.1908 -203649.7286 2668.1283 0.0000 0.0000 51851.5505 -109712.5945 297.9916 -161564.1450 -109344.3458 299.1060 42.7810 68.6272 761718.0490 7.9851 7.9228 PRESSURE: 2934400 62.0874 -11.1778 188.426 -11.1772 50.2402 32.9505 188.427 32.9505 91.05 GPRESSURE: 2934400 27.6973 -25.5688 94.529 161.375 134.258 -77.4067 152.579 21.2482 143.464 PRESSAVG: 2934400 -24.234 -1.47807 43.0261 -1.47808 14.602 -30.815 43.0261 -30.8149 -3.42489 GPRESSAVG: 2934400 -26.4131 -0.283092 46.5498 -2.80191 15.6422 -31.0769 43.9729 -29.9822 -1.98355 TIMING: 2934400 CPU: 9337.56, 0.00315918/step Wall: 9337.56, 0.00315918/step, 1.81267 hours remaining, 240.792969 MB of memory in use. ENERGY: 2934400 3949.6503 20495.1806 14520.0421 234.2550 -203245.0172 2277.0003 0.0000 0.0000 52020.4490 -109748.4398 298.9622 -161768.8889 -109382.4098 298.9203 67.7926 101.8065 760202.5774 -4.3523 -4.2515 PRESSURE: 2934600 -421.952 -108.044 6.57413 -108.044 105.686 -18.6745 6.57342 -18.6747 -367.514 GPRESSURE: 2934600 -327.248 -60.2462 91.8335 -129.038 76.8171 -20.0475 -20.6881 4.84517 -339.872 PRESSAVG: 2934600 12.352 -18.4668 17.2529 -18.4669 -42.7157 -12.6936 17.2528 -12.6937 -4.83608 GPRESSAVG: 2934600 15.5784 -19.7177 15.1092 -17.581 -44.6162 -11.5854 18.195 -12.6473 -6.00233 TIMING: 2934600 CPU: 9338.18, 0.00313515/step Wall: 9338.18, 0.00313515/step, 1.79871 hours remaining, 240.792969 MB of memory in use. ENERGY: 2934600 4002.1391 20551.6925 14497.0696 244.9455 -203310.6860 2278.3647 0.0000 0.0000 52031.6020 -109704.8726 299.0263 -161736.4746 -109341.5578 298.9541 -227.9267 -196.7677 760637.3101 -11.7333 -11.6801 PRESSURE: 2934800 259.356 -102.024 183.84 -102.023 -102.942 163.503 183.84 163.503 -390.81 GPRESSURE: 2934800 218.907 -105.51 89.6983 -118.507 -75.778 119.512 96.581 70.9786 -300.046 PRESSAVG: 2934800 0.0423109 1.81096 52.4166 1.81085 0.0547596 23.3266 52.4166 23.3266 1.33848 GPRESSAVG: 2934800 -0.346488 1.96686 53.8598 3.30849 0.291441 21.5816 49.7422 21.8247 1.71774 TIMING: 2934800 CPU: 9338.81, 0.00312721/step Wall: 9338.81, 0.00312721/step, 1.79398 hours remaining, 240.792969 MB of memory in use. ENERGY: 2934800 4009.4249 20584.2140 14434.3400 235.2326 -202989.7473 2141.9796 0.0000 0.0000 51747.0121 -109837.5441 297.3908 -161584.5562 -109473.2580 299.1841 -78.1321 -52.3057 760930.6350 0.4785 0.5542 PRESSURE: 2935000 -65.6208 -576 -15.6745 -576 168.108 -37.0061 -15.6755 -37.0058 194.09 GPRESSURE: 2935000 -56.7732 -382.748 62.4829 -489.583 198.339 -74.1239 40.1884 -37.8766 246.562 PRESSAVG: 2935000 44.7246 5.42665 55.1604 5.42667 -32.5243 8.30167 55.1605 8.30169 -32.6068 GPRESSAVG: 2935000 43.3601 3.92142 54.7003 4.17732 -31.777 8.88076 57.3332 12.2955 -32.1771 TIMING: 2935000 CPU: 9339.44, 0.00313787/step Wall: 9339.44, 0.00313787/step, 1.79992 hours remaining, 240.792969 MB of memory in use. ENERGY: 2935000 3923.5524 20592.8304 14452.2209 238.2289 -203599.5021 2509.5912 0.0000 0.0000 51982.5075 -109900.5707 298.7442 -161883.0782 -109536.2776 298.6524 98.8592 129.3762 759336.0137 -6.8022 -6.8647 PRESSURE: 2935200 91.0915 62.9536 189.806 62.9537 -259.641 -69.3121 189.806 -69.3127 -281.194 GPRESSURE: 2935200 15.7941 24.6642 118.87 15.1548 -120.36 32.6159 100.833 -90.9306 -244.883 PRESSAVG: 2935200 -6.91099 5.21896 42.5217 5.21894 20.1623 29.0549 42.5217 29.0549 -4.95841 GPRESSAVG: 2935200 -6.27118 6.30369 41.7051 3.69277 20.6421 28.0498 42.5187 26.899 -5.26905 TIMING: 2935200 CPU: 9340.07, 0.00316181/step Wall: 9340.07, 0.00316181/step, 1.81347 hours remaining, 240.792969 MB of memory in use. ENERGY: 2935200 3972.8756 20547.5274 14464.7571 255.6677 -203204.8606 2280.9907 0.0000 0.0000 51934.6035 -109748.4386 298.4689 -161683.0421 -109372.5443 298.5939 -149.9143 -116.4829 760874.5902 2.7643 3.0340 PRESSURE: 2935400 -190.229 125.159 -33.217 125.158 72.1351 -125.429 -33.2174 -125.43 111.584 GPRESSURE: 2935400 -110.563 92.8675 -57.5614 74.4047 23.8355 -65.9397 90.7621 -170.698 159.082 PRESSAVG: 2935400 1.89982 32.7029 -4.8947 32.7029 -19.8647 23.884 -4.89472 23.884 2.13777 GPRESSAVG: 2935400 2.68894 31.71 -4.67052 34.6234 -20.4072 23.7803 -4.30142 25.7281 2.00146 TIMING: 2935400 CPU: 9340.71, 0.0031845/step Wall: 9340.71, 0.0031845/step, 1.82631 hours remaining, 240.792969 MB of memory in use. ENERGY: 2935400 3996.3881 20456.1040 14447.7437 262.3500 -203485.2828 2508.8339 0.0000 0.0000 52145.4306 -109668.4323 299.6805 -161813.8629 -109301.6060 298.8530 -2.1698 24.1181 760139.3675 -5.2757 -5.2389 PRESSURE: 2935600 -224.946 41.5289 -45.9269 41.528 -170.003 -218.409 -45.9262 -218.409 28.3139 GPRESSURE: 2935600 -133.802 133.113 -78.9013 65.7013 -176.745 -161.991 -38.3038 -37.5265 17.5632 PRESSAVG: 2935600 7.79245 8.34745 -24.5211 8.3474 -13.1714 -5.51511 -24.521 -5.51512 -7.87651 GPRESSAVG: 2935600 7.64144 10.724 -24.8728 7.82556 -12.7601 -3.33587 -22.7594 -5.3032 -8.29661 TIMING: 2935600 CPU: 9341.34, 0.00317886/step Wall: 9341.34, 0.00317886/step, 1.8229 hours remaining, 240.792969 MB of memory in use. ENERGY: 2935600 4075.0550 20517.4602 14393.7027 238.1896 -203170.9934 2249.2855 0.0000 0.0000 52221.1475 -109476.1530 300.1157 -161697.3005 -109118.9640 299.5084 -122.2117 -97.6612 759035.8571 -4.4185 -4.4718 PRESSURE: 2935800 -406.657 191.51 144.061 191.509 32.372 -157.452 144.061 -157.452 -435.837 GPRESSURE: 2935800 -361.24 177.205 185.181 238.287 47.0327 -206.106 149.154 -119.584 -422.483 PRESSAVG: 2935800 34.5847 34.6097 50.5312 34.6097 5.89252 7.89851 50.5312 7.8986 3.41012 GPRESSAVG: 2935800 34.397 34.0997 51.3081 34.241 6.36544 8.23238 49.132 6.92229 2.91822 TIMING: 2935800 CPU: 9341.97, 0.00315229/step Wall: 9341.97, 0.00315229/step, 1.80749 hours remaining, 240.792969 MB of memory in use. ENERGY: 2935800 4147.4508 20389.6517 14457.0088 245.7770 -202960.8917 2150.4660 0.0000 0.0000 52216.2472 -109354.2901 300.0875 -161570.5373 -108987.3087 299.9965 -270.0407 -245.5635 759977.2317 14.6291 14.5602 PRESSURE: 2936000 -218.141 116.097 -105.622 116.097 197.739 78.8584 -105.622 78.8586 -12.7125 GPRESSURE: 2936000 -134.234 97.5525 -181.424 57.4019 215.501 69.9369 -224.808 -1.13585 4.83879 PRESSAVG: 2936000 -35.1547 -21.5454 -4.46847 -21.5454 15.822 -40.2865 -4.4685 -40.2866 20.3794 GPRESSAVG: 2936000 -34.0663 -23.1506 -5.17623 -22.0366 14.7462 -40.3307 -5.7834 -40.0275 19.938 TIMING: 2936000 CPU: 9342.6, 0.00315024/step Wall: 9342.6, 0.00315024/step, 1.80614 hours remaining, 240.792969 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: 2936000 4078.7557 20448.6321 14436.9799 253.3869 -202904.8562 2230.2109 0.0000 0.0000 52226.9133 -109229.9773 300.1488 -161456.8906 -108859.9277 299.8076 -11.0380 28.7018 761344.4107 0.3489 0.2060 PRESSURE: 2936200 156.02 229.039 19.0674 229.039 -141.561 -3.22963 19.0673 -3.22955 183.405 GPRESSURE: 2936200 173.591 56.213 37.4115 200.416 -62.7776 -10.6316 -32.1323 -29.5197 177.328 PRESSAVG: 2936200 20.578 -18.1055 -20.0021 -18.1055 -10.9696 -34.7844 -20.0021 -34.7845 -18.0686 GPRESSAVG: 2936200 18.567 -16.7896 -19.0717 -18.9663 -10.5686 -34.7907 -20.1599 -36.89 -16.8328 TIMING: 2936200 CPU: 9343.23, 0.00314285/step Wall: 9343.23, 0.00314285/step, 1.80173 hours remaining, 240.792969 MB of memory in use. ENERGY: 2936200 4038.9899 20643.9227 14424.9423 260.8870 -203468.7941 2526.0773 0.0000 0.0000 52458.1958 -109115.7791 301.4780 -161573.9749 -108761.0608 300.2464 65.9549 96.0471 760631.8311 -2.8201 -2.9448 LDB: ============= START OF LOAD BALANCING ============== 9355.68 LDB: ============== END OF LOAD BALANCING =============== 9355.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9355.68 LDB: ============= START OF LOAD BALANCING ============== 9356 LDB: Largest compute 7056 load 0.035375 is 18.1% of average load 0.195272 LDB: Average compute 0.004411 is 2.3% of average load 0.195272 LDB: TIME 9356 LOAD: AVG 0.195272 MAX 0.214654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.105 MB LDB: TIME 9356 LOAD: AVG 0.195272 MAX 0.214654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.203 MB LDB: TIME 9356 LOAD: AVG 0.195272 MAX 0.214654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.203 MB LDB: ============== END OF LOAD BALANCING =============== 9356 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9356.01 PRESSURE: 2936400 203.967 -73.7132 39.8672 -73.7134 -194.664 -196.531 39.867 -196.532 -437.243 GPRESSURE: 2936400 147.98 -27.4305 88.3644 -1.42875 -88.2708 -134.997 48.3565 -135.649 -387.217 PRESSAVG: 2936400 29.8826 10.3352 0.797782 10.3352 -53.0684 -63.2548 0.79779 -63.2547 11.5967 GPRESSAVG: 2936400 28.911 9.2744 1.48735 10.1618 -53.199 -63.3494 1.34083 -61.7555 12.5256 TIMING: 2936400 CPU: 9343.87, 0.00321663/step Wall: 9343.87, 0.00321663/step, 1.84385 hours remaining, 241.562500 MB of memory in use. ENERGY: 2936400 4056.0626 20497.9054 14504.1899 237.6082 -202852.2611 2547.8493 0.0000 0.0000 51882.2760 -109126.3697 298.1682 -161008.6457 -108766.7977 299.7805 -142.6465 -109.1694 762701.0851 -3.8630 -3.9208 PRESSURE: 2936600 104.405 35.0458 22.7156 35.045 -16.4987 46.9816 22.7153 46.9808 75.8273 GPRESSURE: 2936600 115.428 80.921 8.44366 6.63523 -3.85336 133.061 -80.1007 60.2663 151.729 PRESSAVG: 2936600 -7.14864 37.0795 26.8642 37.0795 -26.2213 -2.33913 26.8641 -2.33913 -15.4491 GPRESSAVG: 2936600 -5.15489 37.4802 26.5528 37.9497 -25.8344 -2.56042 26.1822 -1.67114 -17.8945 TIMING: 2936600 CPU: 9344.5, 0.00312477/step Wall: 9344.5, 0.00312477/step, 1.79101 hours remaining, 241.562500 MB of memory in use. ENERGY: 2936600 3936.7244 20601.3697 14484.7939 236.9958 -203016.2414 2412.8026 0.0000 0.0000 52085.6954 -109257.8596 299.3372 -161343.5550 -108897.0093 300.0857 54.5780 87.7681 761225.2452 -16.2730 -16.2946 PRESSURE: 2936800 -97.8592 -232.991 101.628 -232.991 68.6228 -201.979 101.629 -201.979 742.483 GPRESSURE: 2936800 -45.115 -174.135 85.028 -273.85 124.67 -111.296 87.7443 -333.564 729.813 PRESSAVG: 2936800 -25.1544 -14.5929 29.9789 -14.5929 15.6181 -19.4638 29.9788 -19.4638 20.6376 GPRESSAVG: 2936800 -27.2497 -14.1515 30.3681 -13.9251 15.2463 -19.785 28.9643 -21.493 22.9599 TIMING: 2936800 CPU: 9345.12, 0.00312552/step Wall: 9345.12, 0.00312552/step, 1.79127 hours remaining, 241.562500 MB of memory in use. ENERGY: 2936800 3958.0306 20511.1949 14459.2789 234.1347 -203385.5938 2646.5634 0.0000 0.0000 52269.8558 -109306.5355 300.3956 -161576.3913 -108945.4705 299.5387 237.7489 269.7893 761058.7489 3.7004 3.6522 PRESSURE: 2937000 -253.493 -7.17165 144.099 -7.17151 -529.212 206.357 144.1 206.358 107.854 GPRESSURE: 2937000 -225.813 5.98348 89.0629 -112.636 -408.548 191.891 211.762 227.645 33.014 PRESSAVG: 2937000 -12.8559 -7.60943 17.9377 -7.60942 11.2987 -27.9787 17.9377 -27.9787 -18.9575 GPRESSAVG: 2937000 -11.916 -6.55329 14.9508 -8.26851 12.7814 -27.5878 22.3212 -27.6651 -21.3782 TIMING: 2937000 CPU: 9345.76, 0.00317824/step Wall: 9345.76, 0.00317824/step, 1.82131 hours remaining, 241.562500 MB of memory in use. ENERGY: 2937000 3965.6325 20440.4927 14474.1447 248.9959 -202883.7060 2286.1091 0.0000 0.0000 52308.9383 -109159.3928 300.6202 -161468.3311 -108790.0825 299.4108 -224.9503 -200.4490 760940.3572 -6.8382 -6.8376 PRESSURE: 2937200 -67.4328 81.2201 -4.61192 81.2207 -23.4104 -38.8639 -4.61267 -38.8637 -258.885 GPRESSURE: 2937200 -32.3873 55.4344 112.563 12.8633 -68.1185 -127.135 59.6724 -97.4704 -166.058 PRESSAVG: 2937200 31.1724 13.8901 11.5564 13.8901 4.60248 -20.4434 11.5564 -20.4434 -6.12765 GPRESSAVG: 2937200 31.2834 12.9745 13.1286 14.8099 3.39559 -19.9227 9.04602 -19.9198 -4.97002 TIMING: 2937200 CPU: 9346.39, 0.00313136/step Wall: 9346.39, 0.00313136/step, 1.79427 hours remaining, 241.562500 MB of memory in use. ENERGY: 2937200 3878.1326 20403.4519 14464.2458 246.8131 -202802.2504 2185.4066 0.0000 0.0000 52121.2732 -109502.9271 299.5417 -161624.2003 -109139.3419 299.2355 -116.5762 -88.8547 761867.2533 9.8824 9.9030 PRESSURE: 2937400 -299.354 11.2239 -127.429 11.2253 28.8671 -259.789 -127.428 -259.788 201.807 GPRESSURE: 2937400 -291.728 53.2884 -188.794 50.0632 35.9618 -259.03 -253.603 -322.865 256.796 PRESSAVG: 2937400 14.4099 84.7778 17.9026 84.7777 34.9628 -31.6482 17.9026 -31.6483 -16.7429 GPRESSAVG: 2937400 13.9274 85.4024 18.7025 83.4926 35.5661 -31.6946 16.3059 -33.1643 -16.7636 TIMING: 2937400 CPU: 9347.01, 0.00313626/step Wall: 9347.01, 0.00313626/step, 1.7969 hours remaining, 241.562500 MB of memory in use. ENERGY: 2937400 3879.6415 20630.3526 14462.1872 244.2380 -203150.3163 2349.9349 0.0000 0.0000 52147.9882 -109435.9739 299.6952 -161583.9621 -109076.9689 299.4104 -22.8933 0.3434 761778.9478 10.8766 10.9100 PRESSURE: 2937600 140.913 -224.319 -180.163 -224.318 -130.714 23.5044 -180.164 23.5053 -430.184 GPRESSURE: 2937600 145.269 -178.438 -86.6717 -88.6067 -118.874 99.1541 -36.2882 -12.278 -363.18 PRESSAVG: 2937600 -80.1871 33.8481 -21.1579 33.8481 45.7114 4.67193 -21.1579 4.67199 1.02015 GPRESSAVG: 2937600 -80.5526 31.8828 -20.7588 37.6316 45.268 3.75291 -20.2356 4.67083 1.21512 TIMING: 2937600 CPU: 9347.64, 0.00312337/step Wall: 9347.64, 0.00312337/step, 1.78934 hours remaining, 241.562500 MB of memory in use. ENERGY: 2937600 3998.4685 20557.2531 14504.9561 236.6123 -202975.9271 2233.6538 0.0000 0.0000 51935.7458 -109509.2375 298.4754 -161444.9834 -109143.0739 299.2832 -139.9949 -112.2615 762400.3148 -11.1519 -11.3565 PRESSURE: 2937800 118.12 -291.735 -293.709 -291.736 68.7134 -31.211 -293.709 -31.2101 -396.875 GPRESSURE: 2937800 122.184 -341.928 -258.93 -125.923 131.045 -45.5511 -262.926 16.2763 -363.9 PRESSAVG: 2937800 -34.9847 -0.353027 -25.1963 -0.353022 38.0315 -41.8622 -25.1963 -41.8622 -34.8101 GPRESSAVG: 2937800 -35.5072 3.24014 -25.8467 -4.5501 37.9746 -40.0628 -23.9691 -41.4125 -33.7662 TIMING: 2937800 CPU: 9348.27, 0.00313613/step Wall: 9348.27, 0.00313613/step, 1.79648 hours remaining, 241.562500 MB of memory in use. ENERGY: 2937800 3922.0911 20520.7778 14405.6682 241.2902 -202877.9942 2338.2224 0.0000 0.0000 52187.3644 -109262.5800 299.9215 -161449.9444 -108896.2412 299.6526 -70.0141 -36.8907 760381.7255 -10.5878 -10.4329 PRESSURE: 2938000 36.4409 -56.3587 126.133 -56.3585 -232.979 51.8735 126.134 51.8728 202.341 GPRESSURE: 2938000 125.77 -31.5226 136.897 -35.6032 -101.19 -54.7985 230.964 44.305 78.2601 PRESSAVG: 2938000 51.1334 9.61829 -23.9984 9.61828 -44.9109 8.17271 -23.9983 8.17267 10.7029 GPRESSAVG: 2938000 51.4192 7.00246 -24.8899 11.0019 -43.7761 4.81954 -24.8431 9.44321 9.83948 TIMING: 2938000 CPU: 9348.9, 0.00316404/step Wall: 9348.9, 0.00316404/step, 1.81229 hours remaining, 241.562500 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: 2938000 3925.6334 20521.8805 14364.1458 239.1991 -202991.9147 2506.1642 0.0000 0.0000 52343.6003 -109091.2914 300.8194 -161434.8917 -108732.5985 299.7205 1.9343 34.2798 760909.1690 5.6418 5.8275 PRESSURE: 2938200 -199.304 52.1988 -98.2686 52.1996 186.355 -191.515 -98.2685 -191.514 208.042 GPRESSURE: 2938200 1.05107 72.4525 -97.9606 120.603 54.3116 -202.994 -74.097 -159.318 236.285 PRESSAVG: 2938200 1.95569 -14.3512 -15.3537 -14.3513 12.2311 -8.46277 -15.3537 -8.46279 16.9587 GPRESSAVG: 2938200 2.39299 -13.9391 -15.6357 -15.5291 11.2852 -6.95512 -13.8775 -8.27829 17.1938 TIMING: 2938200 CPU: 9349.53, 0.00316393/step Wall: 9349.53, 0.00316393/step, 1.81205 hours remaining, 241.562500 MB of memory in use. ENERGY: 2938200 3975.7360 20528.0671 14454.5473 239.4480 -202852.7362 2325.1400 0.0000 0.0000 52093.2902 -109236.5076 299.3809 -161329.7979 -108862.0671 299.6809 65.0313 97.2159 761036.9658 10.3818 10.2907 PRESSURE: 2938400 347.019 -111.268 -85.6462 -111.268 159.653 -185.058 -85.6465 -185.058 315.888 GPRESSURE: 2938400 365.883 -124.079 36.3642 24.7439 318.804 -146.955 -168.975 -209.047 236.45 PRESSAVG: 2938400 -11.161 26.05 -21.9675 26.05 33.2454 -65.6348 -21.9674 -65.6347 18.1347 GPRESSAVG: 2938400 -10.7347 26.7442 -20.7121 27.7723 32.5138 -65.3281 -24.6733 -64.9778 18.2262 TIMING: 2938400 CPU: 9350.16, 0.00312648/step Wall: 9350.16, 0.00312648/step, 1.79043 hours remaining, 241.562500 MB of memory in use. ENERGY: 2938400 3925.9076 20640.6463 14475.3560 233.9193 -203115.3202 2646.1643 0.0000 0.0000 52060.3009 -109133.0259 299.1913 -161193.3268 -108764.4832 299.2671 274.1868 307.0456 760253.7955 13.4064 13.3351 PRESSURE: 2938600 -240.976 -165.287 147.151 -165.287 -217.585 183.156 147.152 183.154 -722.886 GPRESSURE: 2938600 -195.113 -107.938 60.779 -201.563 -178.51 243.918 105.209 77.6808 -719.863 PRESSAVG: 2938600 -9.78043 16.4215 12.1619 16.4215 20.3225 25.908 12.1619 25.9081 -22.961 GPRESSAVG: 2938600 -9.53415 16.0207 12.0056 16.3929 20.4155 26.5317 11.5427 26.6903 -22.9936 TIMING: 2938600 CPU: 9350.78, 0.00313501/step Wall: 9350.78, 0.00313501/step, 1.79514 hours remaining, 241.562500 MB of memory in use. ENERGY: 2938600 4021.6160 20622.7131 14533.3176 237.4677 -202629.5116 2237.8795 0.0000 0.0000 52121.0036 -108855.5141 299.5401 -160976.5177 -108495.2205 300.2835 -393.8156 -364.4956 763217.4630 -4.1396 -4.0374 PRESSURE: 2938800 -346.512 6.14582 -347.313 6.1456 -21.3575 47.5148 -347.313 47.5154 -283.622 GPRESSURE: 2938800 -269.939 1.41935 -256.947 -55.9249 -18.2555 109.598 -271.646 -5.54408 -278.681 PRESSAVG: 2938800 -30.8801 29.3027 5.9516 29.3027 17.3281 -26.9567 5.95159 -26.9568 -11.9813 GPRESSAVG: 2938800 -32.3121 29.3775 4.93318 29.1296 17.415 -27.3276 8.00586 -28.47 -10.9441 TIMING: 2938800 CPU: 9351.41, 0.00315212/step Wall: 9351.41, 0.00315212/step, 1.80477 hours remaining, 241.562500 MB of memory in use. ENERGY: 2938800 3918.7651 20594.7939 14471.3353 244.0778 -202581.9771 2212.0376 0.0000 0.0000 52112.6435 -109028.3239 299.4921 -161140.9674 -108669.7839 299.9313 -217.1640 -188.9585 762671.5153 -8.5111 -8.6137 PRESSURE: 2939000 -133.782 86.5059 51.3838 86.5063 43.1646 37.1578 51.3829 37.1575 -95.2577 GPRESSURE: 2939000 112.658 69.4227 159.535 123.835 -149.763 -25.1086 84.3137 -15.973 -54.3642 PRESSAVG: 2939000 -51.7275 27.2405 -5.65365 27.2405 31.9579 -15.3213 -5.65368 -15.3212 -7.64641 GPRESSAVG: 2939000 -50.8256 26.9706 -4.50967 26.8762 31.6493 -14.7753 -3.34945 -13.6415 -8.21652 TIMING: 2939000 CPU: 9352.04, 0.00313172/step Wall: 9352.04, 0.00313172/step, 1.79291 hours remaining, 241.562500 MB of memory in use. ENERGY: 2939000 4070.2985 20465.5388 14508.4192 253.2520 -202752.3787 2181.5622 0.0000 0.0000 51990.4101 -109282.8980 298.7896 -161273.3081 -108920.0780 299.5485 -61.9583 -30.4900 760292.9835 -9.1387 -9.1309 PRESSURE: 2939200 -125.703 52.6754 -143.595 52.6762 387.988 223.344 -143.595 223.346 380.564 GPRESSURE: 2939200 -114.941 34.8282 -83.6647 90.2236 460.803 152.263 -271.369 174.02 392.14 PRESSAVG: 2939200 -34.9186 36.6225 -18.9448 36.6226 35.7276 -14.2928 -18.9448 -14.2927 26.7268 GPRESSAVG: 2939200 -34.3785 35.2125 -18.1896 36.8138 35.8097 -14.6547 -22.2673 -17.0158 26.4712 TIMING: 2939200 CPU: 9352.67, 0.00313512/step Wall: 9352.67, 0.00313512/step, 1.79468 hours remaining, 241.562500 MB of memory in use. ENERGY: 2939200 3951.1026 20630.4102 14537.8241 238.5532 -202999.7438 2526.2583 0.0000 0.0000 52018.4531 -109097.1424 298.9508 -161115.5954 -108732.5764 299.6820 214.2829 246.0004 759749.1283 9.1786 9.3008 PRESSURE: 2939400 -318.065 3.91894 -141.61 3.91865 -84.6203 -51.7944 -141.611 -51.7943 -142.882 GPRESSURE: 2939400 -258.136 30.3358 -126.205 79.7947 -92.7522 -54.6545 -231.925 74.0446 -116.398 PRESSAVG: 2939400 -13.7168 20.8192 31.8754 20.8192 21.6834 -8.19274 31.8754 -8.19277 25.1056 GPRESSAVG: 2939400 -13.3697 24.2401 30.235 19.9362 22.0035 -7.54394 32.1585 -6.4843 24.6036 TIMING: 2939400 CPU: 9353.29, 0.00311666/step Wall: 9353.29, 0.00311666/step, 1.78394 hours remaining, 241.562500 MB of memory in use. ENERGY: 2939400 4013.5535 20646.4872 14557.4083 248.0681 -202707.4892 2158.2208 0.0000 0.0000 52146.1060 -108937.6453 299.6844 -161083.7513 -108569.6523 299.8127 -181.8558 -155.7619 760956.4656 11.0240 11.0791 PRESSURE: 2939600 35.5912 -84.8089 1.06318 -84.8097 54.2494 89.9515 1.06284 89.9511 -84.9482 GPRESSURE: 2939600 -7.76589 -71.2893 38.9626 -117.879 164.543 188.798 -10.5805 31.5583 -98.0363 PRESSAVG: 2939600 17.7264 -22.7875 19.3088 -22.7875 -17.4374 -42.4907 19.3089 -42.4907 2.74319 GPRESSAVG: 2939600 15.1732 -26.5684 19.0478 -21.0409 -16.0706 -41.4976 19.9752 -42.082 3.41405 TIMING: 2939600 CPU: 9353.91, 0.00311714/step Wall: 9353.91, 0.00311714/step, 1.78404 hours remaining, 241.562500 MB of memory in use. ENERGY: 2939600 3900.7911 20655.9048 14552.5137 251.2374 -202961.2823 2430.7288 0.0000 0.0000 52195.7034 -108974.4030 299.9694 -161170.1064 -108611.0858 300.3675 1.6308 19.5801 760932.3953 1.0107 0.8389 PRESSURE: 2939800 220.572 156.679 -65.1265 156.68 434.293 235.777 -65.1266 235.776 422.339 GPRESSURE: 2939800 268.285 95.5182 -52.3176 133.858 445.64 197.33 -42.2781 136.512 416.161 PRESSAVG: 2939800 1.70356 -23.1177 -8.18779 -23.1176 41.9501 12.5475 -8.18783 12.5474 -7.55749 GPRESSAVG: 2939800 2.18454 -21.9789 -6.59117 -23.3141 41.0763 11.3024 -8.63847 11.9094 -7.25288 TIMING: 2939800 CPU: 9354.54, 0.00311679/step Wall: 9354.54, 0.00311679/step, 1.78367 hours remaining, 241.562500 MB of memory in use. ENERGY: 2939800 3925.8487 20721.6310 14599.4411 255.3027 -203388.2316 2736.2643 0.0000 0.0000 52233.0510 -108916.6928 300.1841 -161149.7438 -108567.1364 299.8677 359.0681 376.6955 760970.4904 12.0321 12.0027 PRESSURE: 2940000 257.442 43.7882 -190.243 43.7877 11.2205 31.2804 -190.243 31.2804 627.247 GPRESSURE: 2940000 289.282 69.2152 -219.906 60.7649 108.903 90.9983 -203.589 122.589 600.621 PRESSAVG: 2940000 -16.2943 -3.55865 16.025 -3.55862 -6.93398 -39.4432 16.0249 -39.4431 4.95702 GPRESSAVG: 2940000 -14.827 -3.18921 13.9014 -6.04444 -8.83964 -38.9067 16.6312 -39.6745 5.03589 TIMING: 2940000 CPU: 9355.16, 0.00311385/step Wall: 9355.16, 0.00311385/step, 1.78181 hours remaining, 241.562500 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: 2940000 4037.5699 20551.5898 14509.8425 250.1814 -203253.9435 2676.5801 0.0000 0.0000 52215.1655 -109013.0143 300.0813 -161228.1798 -108650.9494 300.3836 298.6364 332.9351 760927.8319 -6.0904 -6.2103 PRESSURE: 2940200 -88.1173 157.863 65.8788 157.863 42.0493 -42.797 65.8785 -42.7961 261.369 GPRESSURE: 2940200 -69.615 139.779 113.312 183.938 20.2044 -47.9405 56.2766 -74.4322 346.917 PRESSAVG: 2940200 41.4576 10.2731 21.3344 10.2731 -18.5111 42.0458 21.3344 42.0458 10.3709 GPRESSAVG: 2940200 39.9072 9.52208 21.9732 13.325 -17.1507 41.7202 18.6767 42.3413 10.2884 TIMING: 2940200 CPU: 9355.78, 0.00311934/step Wall: 9355.78, 0.00311934/step, 1.78478 hours remaining, 241.562500 MB of memory in use. ENERGY: 2940200 3892.7939 20456.8556 14524.7751 253.4064 -203021.5077 2341.9391 0.0000 0.0000 52175.9796 -109375.7580 299.8561 -161551.7376 -108999.8523 300.1780 71.7669 99.1689 761758.2471 11.1058 11.0150 LDB: ============= START OF LOAD BALANCING ============== 9368.23 LDB: ============== END OF LOAD BALANCING =============== 9368.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9368.23 LDB: ============= START OF LOAD BALANCING ============== 9368.55 LDB: Largest compute 7056 load 0.035725 is 18.3% of average load 0.195340 LDB: Average compute 0.004371 is 2.2% of average load 0.195340 LDB: TIME 9368.55 LOAD: AVG 0.19534 MAX 0.215853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.18 MB LDB: TIME 9368.55 LOAD: AVG 0.19534 MAX 0.215853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.184 MB LDB: TIME 9368.55 LOAD: AVG 0.19534 MAX 0.215853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.184 MB LDB: ============== END OF LOAD BALANCING =============== 9368.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9368.56 PRESSURE: 2940400 444.986 123.787 -199.037 123.789 -186.683 -69.8452 -199.037 -69.8446 52.7431 GPRESSURE: 2940400 433.658 86.9143 -175.263 136.63 -52.5939 -54.689 -212.323 -88.4378 31.5875 PRESSAVG: 2940400 34.5554 54.3689 14.5107 54.3689 -50.1634 -12.9718 14.5108 -12.9718 12.0863 GPRESSAVG: 2940400 35.0396 57.0364 13.8955 52.2568 -50.2484 -13.0338 18.0413 -13.2932 11.7221 TIMING: 2940400 CPU: 9356.42, 0.00318836/step Wall: 9356.42, 0.00318836/step, 1.8241 hours remaining, 240.675781 MB of memory in use. ENERGY: 2940400 3933.1855 20439.8999 14480.4004 256.5142 -202900.4928 2367.6639 0.0000 0.0000 51958.1562 -109464.6727 298.6042 -161422.8289 -109096.0675 299.1820 103.6821 137.5506 761680.3445 -1.1739 -1.1622 PRESSURE: 2940600 -262.176 -80.7328 149.757 -80.7327 -20.0423 151.436 149.757 151.437 180.741 GPRESSURE: 2940600 -176.378 -23.4631 172.084 -44.78 70.821 121.843 141.709 144.238 97.535 PRESSAVG: 2940600 -2.59247 31.1907 47.5323 31.1907 0.585435 -4.92148 47.5323 -4.92145 20.3155 GPRESSAVG: 2940600 -2.79387 30.9205 48.4228 32.7586 1.41551 -5.54807 47.0467 -3.25028 20.0076 TIMING: 2940600 CPU: 9357.05, 0.00312634/step Wall: 9357.05, 0.00312634/step, 1.78844 hours remaining, 240.878906 MB of memory in use. ENERGY: 2940600 3983.5549 20645.5723 14505.8681 246.4093 -203077.4467 2443.5398 0.0000 0.0000 51892.7834 -109359.7189 298.2285 -161252.5022 -108998.4373 298.9069 -33.8260 -2.6739 761882.3517 6.1028 6.2097 PRESSURE: 2940800 -144.143 -389.458 14.9415 -389.458 -434.257 -98.27 14.9424 -98.2702 221.372 GPRESSURE: 2940800 -118.203 -341.435 99.8131 -225.874 -345.01 -105.079 65.6661 -40.9642 200.814 PRESSAVG: 2940800 -0.873179 -1.48334 47.382 -1.48333 -51.4561 21.5275 47.3819 21.5275 -0.905656 GPRESSAVG: 2940800 -1.36359 -5.13868 47.8429 1.11672 -51.0978 22.0192 47.9999 20.1586 -1.06673 TIMING: 2940800 CPU: 9357.67, 0.0031362/step Wall: 9357.67, 0.0031362/step, 1.7939 hours remaining, 240.878906 MB of memory in use. ENERGY: 2940800 3979.4289 20636.6539 14519.7814 246.5670 -203028.4671 2289.4751 0.0000 0.0000 52108.1317 -109248.4290 299.4661 -161356.5608 -108881.1584 299.5565 -119.0095 -87.4662 763635.6322 -17.7450 -17.8427 PRESSURE: 2941000 -81.5036 206.731 -121.667 206.731 -468.189 207.608 -121.665 207.607 -226.255 GPRESSURE: 2941000 -72.0979 133.653 -93.5929 97.5853 -406.447 168.209 0.235854 209.849 -201.925 PRESSAVG: 2941000 -13.8579 18.7 33.0964 18.6999 35.7497 -6.59887 33.0964 -6.59894 8.50201 GPRESSAVG: 2941000 -13.9531 20.6075 32.9356 15.8938 34.7428 -4.84086 31.239 -5.89456 9.21374 TIMING: 2941000 CPU: 9358.3, 0.00313556/step Wall: 9358.3, 0.00313556/step, 1.79337 hours remaining, 240.878906 MB of memory in use. ENERGY: 2941000 4041.8599 20603.7803 14513.3079 249.3668 -203406.7261 2532.5115 0.0000 0.0000 52040.5762 -109425.3235 299.0779 -161465.8996 -109065.6956 299.1719 -258.6489 -226.8235 763276.7684 10.1313 10.0011 PRESSURE: 2941200 9.41663 -23.9339 -186.666 -23.9334 -225.869 20.5225 -186.666 20.522 18.9893 GPRESSURE: 2941200 75.1431 -25.0226 -207.862 6.98587 -254.162 28.3584 -209.584 54.3279 61.3675 PRESSAVG: 2941200 33.5908 12.2977 -5.86732 12.2977 -13.8107 11.6415 -5.86737 11.6415 0.359735 GPRESSAVG: 2941200 33.6642 13.8938 -6.75829 12.0082 -13.9193 10.0009 -5.16992 10.5933 0.108193 TIMING: 2941200 CPU: 9358.93, 0.00312899/step Wall: 9358.93, 0.00312899/step, 1.78943 hours remaining, 240.878906 MB of memory in use. ENERGY: 2941200 3936.3585 20561.0073 14584.8968 236.1864 -203190.2525 2490.2486 0.0000 0.0000 51950.3594 -109431.1956 298.5594 -161381.5549 -109069.4326 299.3846 -65.8210 -39.2170 762036.2986 6.7133 6.6177 PRESSURE: 2941400 -290.256 -79.3243 43.1352 -79.3243 65.5756 -47.1098 43.136 -47.1102 236.134 GPRESSURE: 2941400 -202.924 41.8915 78.8052 -47.0554 87.2088 -41.35 7.23299 36.2075 214.812 PRESSAVG: 2941400 -11.9151 47.8081 -28.3366 47.8081 -22.5514 -38.6855 -28.3365 -38.6855 -20.1538 GPRESSAVG: 2941400 -10.2996 45.3341 -25.9415 51.6873 -22.9407 -38.6033 -28.5346 -37.1204 -21.109 TIMING: 2941400 CPU: 9359.56, 0.00314953/step Wall: 9359.56, 0.00314953/step, 1.80101 hours remaining, 240.878906 MB of memory in use. ENERGY: 2941400 3944.6293 20315.7761 14504.2218 244.2656 -203173.3682 2467.2530 0.0000 0.0000 52089.5883 -109607.6341 299.3596 -161697.2224 -109243.8326 298.9253 3.8177 33.0323 762854.1971 -18.2068 -18.1164 PRESSURE: 2941600 1.12167 14.7913 205.98 14.7927 -43.6936 -120.193 205.98 -120.194 97.4 GPRESSURE: 2941600 37.9442 -53.0886 159.327 104.677 48.6893 -167.074 157.549 -74.2825 53.312 PRESSAVG: 2941600 43.3408 17.5517 23.013 17.5517 -46.2077 -3.54401 23.013 -3.54405 8.47922 GPRESSAVG: 2941600 42.8927 19.4442 22.0137 15.698 -46.1646 -4.61283 23.5701 -3.42891 8.54386 TIMING: 2941600 CPU: 9360.18, 0.00313767/step Wall: 9360.18, 0.00313767/step, 1.79405 hours remaining, 240.878906 MB of memory in use. ENERGY: 2941600 3976.3153 20533.1683 14501.8733 267.8491 -203474.3631 2927.6367 0.0000 0.0000 51732.7206 -109534.7997 297.3087 -161267.5203 -109182.4855 298.4035 18.2760 46.6485 763764.4445 1.8708 1.7573 PRESSURE: 2941800 112.577 39.1076 2.34969 39.1064 3.54696 17.7993 2.34897 17.7985 -13.914 GPRESSURE: 2941800 206.338 -33.435 73.4342 171.45 24.9083 -34.1066 -27.9678 -96.9195 -19.6537 PRESSAVG: 2941800 49.4535 -16.645 24.808 -16.645 -9.57305 -14.5325 24.808 -14.5325 8.08356 GPRESSAVG: 2941800 48.0893 -16.3469 23.5324 -17.1354 -7.95615 -14.4597 23.7337 -14.787 8.17612 TIMING: 2941800 CPU: 9360.81, 0.00313658/step Wall: 9360.81, 0.00313658/step, 1.79325 hours remaining, 240.878906 MB of memory in use. ENERGY: 2941800 4031.4589 20388.9093 14427.7065 248.3407 -203019.6664 2461.7218 0.0000 0.0000 51918.2434 -109543.2858 298.3749 -161461.5292 -109185.1060 299.2539 34.0698 70.5308 764010.2172 15.9880 16.1031 PRESSURE: 2942000 27.3778 196.971 -91.5177 196.971 -353.136 208.765 -91.5176 208.764 -221.026 GPRESSURE: 2942000 36.653 187.714 -73.5959 114.12 -301.759 176.153 -132.333 200.761 -193.211 PRESSAVG: 2942000 15.1464 -17.1979 -8.15742 -17.1979 8.40571 20.0998 -8.15747 20.0998 5.31313 GPRESSAVG: 2942000 16.1972 -17.4158 -6.93989 -17.526 6.35847 20.089 -5.94465 21.6901 6.12754 TIMING: 2942000 CPU: 9361.44, 0.00312781/step Wall: 9361.44, 0.00312781/step, 1.78806 hours remaining, 240.878906 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: 2942000 3934.7608 20466.5011 14476.8648 266.0060 -203225.6796 2582.5698 0.0000 0.0000 51941.0708 -109557.9063 298.5060 -161498.9771 -109205.0392 298.9081 -182.2613 -152.7723 762086.5902 9.6217 9.5611 PRESSURE: 2942200 -21.6707 -21.2318 129.68 -21.232 -75.8133 58.6898 129.679 58.6882 81.9662 GPRESSURE: 2942200 10.0098 -95.4294 166.425 96.1716 -30.4975 5.02738 70.3457 89.9522 94.1804 PRESSAVG: 2942200 -3.61721 2.00598 -3.57924 2.00606 13.7091 35.6052 -3.57925 35.6053 -2.64781 GPRESSAVG: 2942200 -3.57005 2.27009 -2.8039 3.19697 13.3206 36.6249 -4.13858 33.143 -2.52936 TIMING: 2942200 CPU: 9362.06, 0.00312706/step Wall: 9362.06, 0.00312705/step, 1.78746 hours remaining, 240.878906 MB of memory in use. ENERGY: 2942200 3972.7903 20430.1999 14464.3988 261.6696 -203042.8862 2287.2310 0.0000 0.0000 52122.1520 -109504.4447 299.5467 -161626.5967 -109144.9453 298.8518 -5.1726 24.5643 760150.4327 2.4814 2.4071 PRESSURE: 2942400 -53.2511 68.7939 -62.4255 68.7936 -53.573 14.1075 -62.4251 14.1076 -72.5401 GPRESSURE: 2942400 52.4386 6.53615 -115.333 105.673 -78.2163 34.5649 -77.5969 -79.3334 -79.9877 PRESSAVG: 2942400 -12.4423 6.67433 25.6228 6.67432 7.18448 -18.7458 25.6228 -18.7458 8.3137 GPRESSAVG: 2942400 -11.6296 5.90106 25.1706 5.56485 7.05545 -19.0428 27.2462 -19.2518 7.44914 TIMING: 2942400 CPU: 9362.69, 0.00312946/step Wall: 9362.69, 0.00312946/step, 1.78866 hours remaining, 240.878906 MB of memory in use. ENERGY: 2942400 3980.0383 20641.6919 14527.4293 252.6703 -202687.9204 2167.5886 0.0000 0.0000 51916.3085 -109202.1934 298.3637 -161118.5018 -108855.2758 298.7891 -59.7880 -35.2551 761059.7963 1.0186 0.9583 PRESSURE: 2942600 100.069 58.5958 178.046 58.5944 -248.115 47.1779 178.047 47.179 228.087 GPRESSURE: 2942600 28.6601 24.7703 167.563 64.7685 -90.9915 43.8062 122 94.7274 214.039 PRESSAVG: 2942600 -8.04095 -13.2667 1.67367 -13.2668 20.4967 5.66567 1.67365 5.66567 -9.23357 GPRESSAVG: 2942600 -8.50305 -14.359 -0.197153 -12.3993 21.7531 6.82003 0.595533 7.38176 -10.0625 TIMING: 2942600 CPU: 9363.31, 0.00312256/step Wall: 9363.31, 0.00312256/step, 1.78454 hours remaining, 240.878906 MB of memory in use. ENERGY: 2942600 4035.2350 20486.1414 14495.2772 239.0660 -203055.8592 2282.2900 0.0000 0.0000 52168.6790 -109349.1706 299.8141 -161517.8495 -108978.0243 299.5386 26.6803 50.5692 761277.9923 1.0741 1.0625 PRESSURE: 2942800 303.854 83.9105 150.104 83.9117 148.939 107.814 150.104 107.814 -5.1437 GPRESSURE: 2942800 322.42 12.0917 159.895 81.3828 175.116 51.0449 99.6212 187.898 47.7778 PRESSAVG: 2942800 -22.9581 31.512 -9.78602 31.5121 3.15027 21.7065 -9.78601 21.7066 3.70624 GPRESSAVG: 2942800 -23.7608 33.7755 -8.73143 28.8439 2.4933 20.939 -10.9568 22.6977 4.97096 TIMING: 2942800 CPU: 9363.94, 0.00314201/step Wall: 9363.94, 0.00314201/step, 1.79548 hours remaining, 240.878906 MB of memory in use. ENERGY: 2942800 3960.4416 20556.4424 14457.4882 244.5958 -203229.6070 2580.8410 0.0000 0.0000 52374.6108 -109055.1873 300.9976 -161429.7980 -108698.2441 299.2616 149.2166 181.7712 761546.2358 -5.3672 -5.4322 PRESSURE: 2943000 -162.453 -52.9309 25.0134 -52.93 -191.292 -187.532 25.0137 -187.531 -25.0807 GPRESSURE: 2943000 -71.6352 -39.4805 74.1472 22.5461 -153.432 -154.088 3.23924 -201.038 -49.3643 PRESSAVG: 2943000 -14.0601 19.6236 51.5815 19.6236 -4.41143 -10.2521 51.5815 -10.252 12.2464 GPRESSAVG: 2943000 -13.5337 18.2644 53.4685 22.3584 -4.45578 -10.5792 51.7755 -9.11874 12.2251 TIMING: 2943000 CPU: 9364.58, 0.00317205/step Wall: 9364.58, 0.00317205/step, 1.81247 hours remaining, 240.878906 MB of memory in use. ENERGY: 2943000 4030.2444 20515.6297 14439.4533 238.5931 -203315.9914 2906.9506 0.0000 0.0000 52152.1534 -109032.9670 299.7191 -161185.1204 -108672.1228 300.5229 -126.2752 -91.4772 763981.1116 -2.0751 -1.9215 PRESSURE: 2943200 -719.165 -241.628 181.791 -241.627 -246.266 111.211 181.791 111.212 101.858 GPRESSURE: 2943200 -692.569 -109.982 99.5246 -238.326 -197.936 129.523 76.2296 81.6913 80.4559 PRESSAVG: 2943200 -9.8076 -19.3103 39.3539 -19.3103 12.4613 -15.8928 39.3539 -15.8928 9.57918 GPRESSAVG: 2943200 -10.5022 -18.725 36.8085 -19.1916 12.7886 -16.4959 40.1135 -18.1232 9.33965 TIMING: 2943200 CPU: 9365.21, 0.00314897/step Wall: 9365.21, 0.00314897/step, 1.79911 hours remaining, 240.878906 MB of memory in use. ENERGY: 2943200 4049.4551 20567.1041 14474.1951 242.7159 -202597.6768 2144.0308 0.0000 0.0000 52188.2175 -108931.9584 299.9264 -161120.1759 -108559.6978 300.2228 -287.8576 -270.0161 763967.2179 4.0776 3.8753 PRESSURE: 2943400 66.163 -3.80969 -113.412 -3.80931 -79.0822 222.775 -113.412 222.774 -586.45 GPRESSURE: 2943400 113.533 33.9256 -33.5514 105.23 -47.173 270.48 89.4503 156.327 -577.565 PRESSAVG: 2943400 -24.3887 15.6843 8.81655 15.6843 42.6605 -32.3061 8.81659 -32.3062 -22.1414 GPRESSAVG: 2943400 -23.5319 13.8821 9.66411 14.4717 43.3138 -31.3617 9.63371 -32.6376 -23.4377 TIMING: 2943400 CPU: 9365.83, 0.00313378/step Wall: 9365.83, 0.00313378/step, 1.79026 hours remaining, 240.878906 MB of memory in use. ENERGY: 2943400 4046.2124 20602.1169 14491.5653 250.7565 -203134.5452 2719.7179 0.0000 0.0000 52027.1079 -108997.0683 299.0005 -161024.1762 -108644.2684 300.3735 -199.7898 -170.4018 762433.8034 -1.2899 -1.2186 PRESSURE: 2943600 2.34796 142.033 -99.3089 142.033 -57.9921 60.8822 -99.3086 60.8814 405.799 GPRESSURE: 2943600 127.745 158.828 -95.8988 95.9044 -29.5402 128.913 -97.6635 -38.0043 343.202 PRESSAVG: 2943600 -7.33342 50.5794 -44.1273 50.5794 9.79066 37.2169 -44.1272 37.2168 -1.16039 GPRESSAVG: 2943600 -6.88621 50.7708 -44.3726 52.5179 6.94412 37.2993 -45.119 35.9005 1.09213 TIMING: 2943600 CPU: 9366.46, 0.00314224/step Wall: 9366.46, 0.00314224/step, 1.79492 hours remaining, 240.878906 MB of memory in use. ENERGY: 2943600 3937.9790 20612.9238 14439.7024 229.7126 -202925.6978 2426.8733 0.0000 0.0000 52366.7758 -108911.7310 300.9526 -161278.5068 -108535.7451 300.2308 116.7184 147.1356 760557.4127 0.4323 0.3833 PRESSURE: 2943800 81.9624 143.801 60.6057 143.801 -47.4111 77.5631 60.6054 77.563 362.004 GPRESSURE: 2943800 36.3101 140.351 35.8027 130.447 109.824 128.716 71.2696 103.467 321.241 PRESSAVG: 2943800 39.3389 42.5437 26.0907 42.5437 -35.4101 -15.1024 26.0908 -15.1024 -27.3892 GPRESSAVG: 2943800 38.2676 43.9173 26.4776 40.5169 -33.5569 -14.4969 24.6016 -13.9383 -28.1531 TIMING: 2943800 CPU: 9367.09, 0.00314444/step Wall: 9367.09, 0.00314444/step, 1.796 hours remaining, 240.878906 MB of memory in use. ENERGY: 2943800 3968.7935 20552.5786 14490.3853 235.8913 -202629.3038 2120.6621 0.0000 0.0000 52024.8735 -109236.1194 298.9877 -161260.9929 -108866.1524 299.7252 132.1851 155.7916 761539.2859 -7.8202 -7.8141 PRESSURE: 2944000 72.1588 143.391 65.7916 143.391 -78.0846 -345.168 65.7926 -345.168 -181.018 GPRESSURE: 2944000 38.2439 116.618 23.205 147.246 34.1228 -358.915 136.389 -295.9 -183.59 PRESSAVG: 2944000 -2.69533 43.6795 18.5643 43.6796 5.74868 -0.969019 18.5644 -0.969032 37.8171 GPRESSAVG: 2944000 -2.09438 43.6334 19.9161 42.5278 5.75053 -2.19817 19.7282 -1.26239 37.6672 TIMING: 2944000 CPU: 9367.72, 0.00314167/step Wall: 9367.72, 0.00314167/step, 1.79424 hours remaining, 240.878906 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: 2944000 4067.9061 20487.9835 14529.6756 249.0166 -202888.6769 2305.4027 0.0000 0.0000 52099.9898 -109148.7026 299.4194 -161248.6923 -108783.0421 299.1820 -62.3146 -37.0745 761708.9228 13.6235 13.7744 PRESSURE: 2944200 162.514 -102.228 110.924 -102.228 100.582 -34.6003 110.924 -34.6015 310.985 GPRESSURE: 2944200 190.771 -102.676 112.853 -71.0901 105.436 36.3084 180.843 -6.97389 376.145 PRESSAVG: 2944200 1.56741 -17.0351 81.7367 -17.0351 1.01878 -45.6561 81.7367 -45.656 -10.1377 GPRESSAVG: 2944200 1.99741 -15.9738 81.1276 -14.3083 0.947006 -44.6269 82.4088 -43.9906 -10.8375 TIMING: 2944200 CPU: 9368.35, 0.00315091/step Wall: 9368.35, 0.00315091/step, 1.79934 hours remaining, 240.878906 MB of memory in use. ENERGY: 2944200 3978.2400 20345.4431 14534.2909 229.4380 -202678.7011 2329.4922 0.0000 0.0000 52091.9605 -109169.8365 299.3732 -161261.7969 -108789.9001 299.4810 191.3605 224.1176 762782.9871 -2.5172 -2.6310 LDB: ============= START OF LOAD BALANCING ============== 9380.8 LDB: ============== END OF LOAD BALANCING =============== 9380.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9380.8 LDB: ============= START OF LOAD BALANCING ============== 9381.12 LDB: Largest compute 7064 load 0.034579 is 17.7% of average load 0.195340 LDB: Average compute 0.004386 is 2.2% of average load 0.195340 LDB: TIME 9381.12 LOAD: AVG 0.19534 MAX 0.217058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 9381.12 LOAD: AVG 0.19534 MAX 0.217058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 9381.12 LOAD: AVG 0.19534 MAX 0.217058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 9381.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9381.13 PRESSURE: 2944400 -162.423 -202.125 58.906 -202.124 -56.5321 -63.4818 58.9055 -63.4824 -308.56 GPRESSURE: 2944400 -105.45 -235.429 56.8634 -183.525 -4.93311 -79.5444 156.785 -147.271 -328.823 PRESSAVG: 2944400 -23.1858 -15.1506 -14.0438 -15.1506 10.6671 -41.196 -14.0438 -41.1961 -22.9869 GPRESSAVG: 2944400 -23.6917 -16.1049 -14.9494 -16.5217 10.3924 -42.5417 -11.4083 -42.3081 -21.7778 TIMING: 2944400 CPU: 9368.99, 0.00323398/step Wall: 9368.99, 0.00323398/step, 1.8466 hours remaining, 241.320312 MB of memory in use. ENERGY: 2944400 3987.8098 20626.9735 14516.2956 259.0431 -203013.7524 2251.4111 0.0000 0.0000 52190.9532 -109181.2661 299.9421 -161372.2192 -108817.5323 299.8311 -175.8384 -146.4020 762614.5794 -11.8352 -11.6924 PRESSURE: 2944600 -4.57224 -19.668 -77.4732 -19.6676 35.6975 42.2945 -77.4736 42.2932 131.102 GPRESSURE: 2944600 119.572 -118.394 -127.042 -13.6252 8.64104 -6.4878 -16.2138 97.9812 132.581 PRESSAVG: 2944600 11.8429 37.1816 20.7056 37.1817 1.69161 -16.4516 20.7056 -16.4517 -5.35135 GPRESSAVG: 2944600 12.4069 34.9001 22.4208 37.4972 1.67696 -15.6963 16.8435 -17.8434 -5.61109 TIMING: 2944600 CPU: 9369.63, 0.00316365/step Wall: 9369.63, 0.00316365/step, 1.80627 hours remaining, 241.523438 MB of memory in use. ENERGY: 2944600 4063.3422 20529.8672 14569.4426 246.1314 -203440.0202 2593.2850 0.0000 0.0000 52228.3366 -109209.6151 300.1570 -161437.9518 -108844.4401 299.7323 54.0758 86.9316 762294.4309 2.7277 2.8243 PRESSURE: 2944800 -129.137 142.082 -30.8312 142.082 -36.0615 20.2915 -30.8324 20.2921 49.2856 GPRESSURE: 2944800 -44.8528 119.259 7.56539 69.8798 -23.4732 11.7362 -23.0587 3.80402 39.8173 PRESSAVG: 2944800 -2.91888 -13.017 -24.8493 -13.0169 -52.7006 -0.300402 -24.8494 -0.300429 -14.7421 GPRESSAVG: 2944800 -3.30275 -9.25767 -26.9165 -13.7047 -51.2897 0.568229 -22.6782 -0.0909853 -15.8378 TIMING: 2944800 CPU: 9370.25, 0.00313082/step Wall: 9370.25, 0.00313082/step, 1.78735 hours remaining, 241.523438 MB of memory in use. ENERGY: 2944800 4050.1013 20637.1985 14429.2320 239.4172 -202868.4867 2296.9484 0.0000 0.0000 52205.9699 -109009.6193 300.0284 -161215.5893 -108645.4915 299.8234 -38.6377 -9.5029 762961.4659 -23.4539 -23.4767 PRESSURE: 2945000 139.671 -39.2936 309.651 -39.2946 -202.809 -135.862 309.651 -135.862 -30.1381 GPRESSURE: 2945000 186.536 -37.1382 285.243 -69.8956 -152.847 -69.5772 227.121 -126.008 -23.3251 PRESSAVG: 2945000 -1.58145 -21.591 17.6115 -21.591 0.12235 33.8341 17.6115 33.8341 -18.6087 GPRESSAVG: 2945000 -1.925 -21.1573 16.9893 -21.3255 -1.20141 34.3535 18.1855 34.4634 -16.9416 TIMING: 2945000 CPU: 9370.88, 0.00313156/step Wall: 9370.88, 0.00313156/step, 1.7876 hours remaining, 241.523438 MB of memory in use. ENERGY: 2945000 4002.4535 20540.6206 14458.1401 263.2657 -203308.9141 2561.3596 0.0000 0.0000 52445.7787 -109037.2959 301.4066 -161483.0746 -108682.8625 299.7193 -31.0920 3.4545 763504.4194 -6.6893 -6.6893 PRESSURE: 2945200 85.2155 97.8163 29.6697 97.8168 8.43936 30.0217 29.6698 30.0215 355.815 GPRESSURE: 2945200 44.9458 98.491 58.8777 -5.62264 152.163 20.4156 56.4948 22.1629 332.539 PRESSAVG: 2945200 54.0972 -1.52952 -14.5189 -1.52957 -66.0326 39.6042 -14.5189 39.6041 6.3748 GPRESSAVG: 2945200 53.6652 -1.05381 -13.478 -2.72486 -65.3601 40.0445 -16.5429 41.0012 6.04145 TIMING: 2945200 CPU: 9371.51, 0.00314075/step Wall: 9371.51, 0.00314075/step, 1.79267 hours remaining, 241.523438 MB of memory in use. ENERGY: 2945200 3968.0317 20678.2012 14520.7958 249.0512 -203294.9350 2569.0896 0.0000 0.0000 52038.5443 -109271.2212 299.0662 -161309.7655 -108909.5890 299.9686 149.8233 176.5494 762195.5001 -1.8535 -1.8845 PRESSURE: 2945400 -1.41255 -145.291 -42.9716 -145.291 -107.729 -18.2762 -42.972 -18.2764 473.81 GPRESSURE: 2945400 65.8653 -66.0517 -88.1165 -163.571 -72.1577 -56.7148 -53.1831 20.144 448.442 PRESSAVG: 2945400 41.1624 17.64 37.6004 17.64 -26.5437 3.53552 37.6004 3.5356 9.23512 GPRESSAVG: 2945400 41.4903 16.7339 36.9715 19.6488 -25.4006 2.69005 36.8719 4.74943 7.57632 TIMING: 2945400 CPU: 9372.14, 0.00315347/step Wall: 9372.14, 0.00315347/step, 1.79975 hours remaining, 241.523438 MB of memory in use. ENERGY: 2945400 3974.9728 20426.2052 14554.4102 253.6079 -203379.1006 2600.5208 0.0000 0.0000 52138.3121 -109431.0714 299.6396 -161569.3835 -109060.6564 299.1009 121.5563 147.3832 762021.5812 7.9513 7.8887 PRESSURE: 2945600 -423.086 -175.271 188.943 -175.271 -101.676 -82.0205 188.943 -82.021 224.748 GPRESSURE: 2945600 -284.624 -238.999 179.664 -189.221 -100.437 -97.9307 270.666 6.9824 167.728 PRESSAVG: 2945600 4.04599 -7.89431 49.8487 -7.89441 -42.616 17.3724 49.8487 17.3724 -26.7605 GPRESSAVG: 2945600 6.35145 -6.60145 50.3377 -8.76075 -46.2381 15.3869 50.5393 16.3442 -25.4525 TIMING: 2945600 CPU: 9372.77, 0.00313526/step Wall: 9372.77, 0.00313526/step, 1.78919 hours remaining, 241.523438 MB of memory in use. ENERGY: 2945600 3975.6137 20659.8894 14509.6005 268.7487 -203316.5464 2613.9436 0.0000 0.0000 51758.7169 -109530.0336 297.4581 -161288.7505 -109173.8972 299.1102 -100.0048 -72.4447 762925.0618 -21.7768 -21.7797 PRESSURE: 2945800 -129.767 148.064 287.618 148.063 18.0969 114.747 287.618 114.748 58.2552 GPRESSURE: 2945800 -193.359 -31.5994 115.139 125.546 129.047 123.005 200.448 58.4709 107.873 PRESSAVG: 2945800 71.0971 49.399 45.3899 49.399 -32.7069 -7.19312 45.3899 -7.1932 3.25133 GPRESSAVG: 2945800 68.7548 47.9071 45.3193 48.4396 -30.48 -6.76182 46.348 -5.95729 3.21706 TIMING: 2945800 CPU: 9373.39, 0.00314263/step Wall: 9373.39, 0.00314263/step, 1.79322 hours remaining, 241.523438 MB of memory in use. ENERGY: 2945800 3956.0805 20569.1143 14460.6817 245.4379 -203417.3700 2431.4899 0.0000 0.0000 51958.5102 -109796.0554 298.6063 -161754.5656 -109436.9686 298.2871 -17.8048 14.5202 763221.3945 13.8805 13.8306 PRESSURE: 2946000 -389.072 11.2318 156.899 11.232 341.556 -23.9827 156.899 -23.9828 96.5437 GPRESSURE: 2946000 -222.208 -52.2485 81.6623 -28.4902 264.343 22.185 191.534 -52.37 119.142 PRESSAVG: 2946000 17.2858 11.1082 56.4146 11.1083 35.0061 -28.7792 56.4146 -28.7792 15.6493 GPRESSAVG: 2946000 18.9141 10.1121 56.1222 11.3738 32.8736 -28.1663 54.5404 -30.9792 16.0414 TIMING: 2946000 CPU: 9374.03, 0.00315781/step Wall: 9374.03, 0.00315781/step, 1.80171 hours remaining, 241.523438 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: 2946000 3969.7661 20557.7216 14505.6375 234.5237 -203493.8130 2498.1881 0.0000 0.0000 52051.7400 -109676.2360 299.1421 -161727.9760 -109310.6341 298.5799 16.3425 53.7590 762069.8810 22.6471 22.6097 PRESSURE: 2946200 146.026 -22.296 26.8467 -22.296 199.946 73.8785 26.8466 73.8799 522.552 GPRESSURE: 2946200 176.634 -11.8953 60.56 63.782 267.273 134.536 102.329 63.2142 512.203 PRESSAVG: 2946200 -52.9259 -20.6625 -4.51271 -20.6626 24.7749 -18.649 -4.51268 -18.649 -42.9709 GPRESSAVG: 2946200 -53.9412 -20.2644 -3.11133 -19.2688 25.8685 -18.8502 -4.17349 -17.5829 -43.7018 TIMING: 2946200 CPU: 9374.66, 0.00315841/step Wall: 9374.66, 0.00315841/step, 1.80187 hours remaining, 241.523438 MB of memory in use. ENERGY: 2946200 3893.3169 20422.8268 14442.5291 258.1750 -203553.9689 2746.4168 0.0000 0.0000 52087.7236 -109702.9808 299.3489 -161790.7044 -109337.8316 298.2724 289.5079 318.7033 762456.8897 -23.7073 -23.9248 PRESSURE: 2946400 129.154 -69.4666 101.952 -69.467 225.399 -76.862 101.951 -76.8614 -52.9218 GPRESSURE: 2946400 175.138 -159.312 60.6332 -17.3257 215.759 -92.4097 166.435 -150.579 -2.3368 PRESSAVG: 2946400 86.6453 -21.0285 -5.96131 -21.0285 -38.2342 -46.2531 -5.96133 -46.2531 -1.92905 GPRESSAVG: 2946400 88.0769 -21.6149 -7.48908 -21.1695 -37.8225 -46.063 -7.60066 -47.5018 -3.29428 TIMING: 2946400 CPU: 9375.29, 0.00316214/step Wall: 9375.29, 0.00316214/step, 1.80382 hours remaining, 241.523438 MB of memory in use. ENERGY: 2946400 4018.3994 20585.2902 14521.8454 260.8259 -203435.1827 2632.3369 0.0000 0.0000 51823.8158 -109592.6692 297.8322 -161416.4849 -109232.8057 298.4072 100.5437 129.5200 760505.9094 15.4940 15.6534 PRESSURE: 2946600 -139.565 -75.4586 65.8695 -75.4593 387.406 -196.894 65.869 -196.894 99.4075 GPRESSURE: 2946600 -37.3577 -127 2.8663 -202.851 316.311 -210.99 47.1329 -276.536 154.445 PRESSAVG: 2946600 12.7622 -51.6756 16.0255 -51.6755 21.7098 -119.297 16.0256 -119.297 2.34326 GPRESSAVG: 2946600 13.0381 -52.3672 16.4757 -52.1508 20.3332 -117.573 17.4912 -118.79 3.09642 TIMING: 2946600 CPU: 9375.92, 0.00314774/step Wall: 9375.92, 0.00314774/step, 1.79543 hours remaining, 241.523438 MB of memory in use. ENERGY: 2946600 3981.9813 20676.5588 14441.9444 248.9697 -203271.3221 2567.2796 0.0000 0.0000 51804.4346 -109550.1536 297.7208 -161354.5883 -109194.7557 298.6608 115.7494 144.4658 760835.7686 12.2718 12.1559 PRESSURE: 2946800 21.1853 26.7767 -152.646 26.7772 63.651 -104.555 -152.645 -104.554 202.817 GPRESSURE: 2946800 68.2104 57.8632 -102.21 -26.6774 145.473 -213.528 -262.906 6.33614 143.441 PRESSAVG: 2946800 54.1868 -3.76189 -25.3509 -3.76188 -43.7314 -80.5767 -25.3509 -80.5767 14.6201 GPRESSAVG: 2946800 52.1442 -1.10027 -23.6655 -4.49623 -42.6178 -82.1605 -26.3411 -78.8156 15.2526 TIMING: 2946800 CPU: 9376.55, 0.00315282/step Wall: 9376.55, 0.00315282/step, 1.79816 hours remaining, 241.523438 MB of memory in use. ENERGY: 2946800 4002.4292 20506.7030 14508.7297 253.6543 -203263.0264 2586.2085 0.0000 0.0000 51829.9731 -109575.3287 297.8676 -161405.3017 -109224.4257 298.8751 95.8845 119.0418 761287.3160 8.3585 8.2597 PRESSURE: 2947000 353.786 -70.8019 -109.435 -70.802 -130.378 138.583 -109.435 138.583 -332.182 GPRESSURE: 2947000 323.854 -30.3318 -127.354 -143.869 9.69973 196.066 -98.0733 134.515 -354.859 PRESSAVG: 2947000 0.733101 -21.5071 23.2256 -21.5071 27.9835 -12.7504 23.2256 -12.7504 9.27253 GPRESSAVG: 2947000 2.20399 -21.7017 21.7746 -20.6981 27.1806 -13.2141 24.3535 -12.7653 8.7809 TIMING: 2947000 CPU: 9377.19, 0.0031773/step Wall: 9377.19, 0.00317731/step, 1.81195 hours remaining, 241.523438 MB of memory in use. ENERGY: 2947000 3993.8649 20462.4485 14474.1111 257.3170 -203327.0127 2353.3574 0.0000 0.0000 51998.5411 -109787.3727 298.8363 -161785.9138 -109414.2649 299.0308 -36.2579 -7.1015 758954.1385 12.6630 12.7218 PRESSURE: 2947200 91.8831 -27.6748 42.719 -27.6737 70.4076 -12.2003 42.7191 -12.2003 -218.762 GPRESSURE: 2947200 231.962 -56.3789 150.025 37.7606 -7.23531 106.897 -46.7479 10.9805 -217.103 PRESSAVG: 2947200 -0.805916 -49.678 -34.338 -49.678 -8.9703 -28.6044 -34.338 -28.6045 -1.17658 GPRESSAVG: 2947200 -0.822631 -48.7507 -32.7906 -51.6305 -10.1147 -26.6107 -35.4604 -28.7201 -0.148936 TIMING: 2947200 CPU: 9377.82, 0.00314661/step Wall: 9377.82, 0.00314661/step, 1.79427 hours remaining, 241.523438 MB of memory in use. ENERGY: 2947200 3951.5474 20593.1670 14373.9842 242.1359 -203808.1169 2728.3954 0.0000 0.0000 51906.3412 -110012.5458 298.3065 -161918.8870 -109662.4340 298.9051 -18.8237 2.5413 759168.1924 -3.6509 -3.6954 PRESSURE: 2947400 -210.997 53.9483 -252.742 53.9484 191.956 -112.171 -252.741 -112.17 232.225 GPRESSURE: 2947400 -141.948 55.5093 -274.297 -19.3974 217.859 -143.696 -203.302 -87.5524 171.794 PRESSAVG: 2947400 20.7643 33.0173 -47.8674 33.0173 -13.8137 13.2884 -47.8675 13.2884 -13.9148 GPRESSAVG: 2947400 20.6323 29.7223 -50.077 34.5423 -11.2961 12.2413 -47.0025 12.2882 -16.429 TIMING: 2947400 CPU: 9378.44, 0.00314664/step Wall: 9378.44, 0.00314664/step, 1.79411 hours remaining, 241.523438 MB of memory in use. ENERGY: 2947400 3855.6376 20525.0040 14454.8694 260.5252 -203507.3693 2608.1919 0.0000 0.0000 51695.3819 -110107.7591 297.0941 -161803.1411 -109752.3471 298.3007 71.0615 82.5681 759968.4751 -2.3214 -2.3643 PRESSURE: 2947600 353.269 135.662 -199.233 135.662 -45.6046 -211.82 -199.233 -211.82 214.92 GPRESSURE: 2947600 342.63 110.483 -249.114 -6.15161 36.6158 -199.975 -26.8142 -262.158 219.933 PRESSAVG: 2947600 3.88394 2.20449 -45.7612 2.20449 14.3284 -32.8638 -45.7613 -32.8639 21.4961 GPRESSAVG: 2947600 4.09554 4.6081 -46.2815 -1.33278 13.8764 -31.6825 -43.1943 -32.3868 21.3515 TIMING: 2947600 CPU: 9379.08, 0.0031657/step Wall: 9379.08, 0.0031657/step, 1.8048 hours remaining, 241.523438 MB of memory in use. ENERGY: 2947600 3896.8923 20404.1824 14532.9949 225.5817 -203507.1383 2471.8383 0.0000 0.0000 51946.5017 -110029.1469 298.5373 -161975.6486 -109669.1989 298.3795 174.1948 199.7263 758705.4874 13.2362 13.1078 PRESSURE: 2947800 -108.178 -44.5289 -138.095 -44.5293 122.728 177.869 -138.096 177.869 -424.884 GPRESSURE: 2947800 14.2327 -109.028 -70.7154 -46.0999 187.027 61.2244 -112.832 70.8219 -511.224 PRESSAVG: 2947800 -14.2023 36.5195 -30.1266 36.5195 19.5108 -6.96739 -30.1267 -6.96749 2.53908 GPRESSAVG: 2947800 -15.2309 35.1375 -28.1916 39.8853 17.9745 -8.14921 -33.7998 -8.15941 4.95156 TIMING: 2947800 CPU: 9379.71, 0.00315955/step Wall: 9379.71, 0.00315955/step, 1.80112 hours remaining, 241.523438 MB of memory in use. ENERGY: 2947800 3955.3078 20427.9920 14449.9988 236.2578 -203476.3651 2561.7405 0.0000 0.0000 52046.6824 -109798.3857 299.1130 -161845.0681 -109428.8506 298.5911 -136.7781 -103.3214 758457.3648 2.6159 2.5650 PRESSURE: 2948000 -153.444 -42.0112 -23.2671 -42.0117 106.945 37.5231 -23.2679 37.5235 15.2926 GPRESSURE: 2948000 -136.452 -19.028 -114.947 113.781 132.51 19.0513 34.1034 -24.2883 41.2055 PRESSAVG: 2948000 -27.9451 57.4037 4.46769 57.4037 63.9883 -59.9751 4.46767 -59.9751 14.6151 GPRESSAVG: 2948000 -28.1784 58.3056 4.611 57.5721 64.3568 -59.4047 5.59161 -56.2626 14.7867 TIMING: 2948000 CPU: 9380.34, 0.00315484/step Wall: 9380.34, 0.00315484/step, 1.79826 hours remaining, 241.523438 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: 2948000 3979.1453 20447.8141 14522.6452 272.1270 -203151.7993 2321.5876 0.0000 0.0000 51924.4046 -109684.0756 298.4103 -161608.4801 -109327.4497 298.9738 -10.4023 12.4209 759536.8633 16.8861 16.9884 PRESSURE: 2948200 44.2286 112.41 -79.1687 112.411 -189.264 85.4591 -79.1687 85.4571 -325.76 GPRESSURE: 2948200 116.369 25.7699 -94.7457 172.353 -221.933 88.108 29.9161 0.906559 -277.216 PRESSAVG: 2948200 18.145 30.5265 -29.2485 30.5266 -49.597 -42.1871 -29.2485 -42.1871 18.6752 GPRESSAVG: 2948200 18.2293 29.9988 -29.5775 29.6867 -48.5826 -42.1722 -30.8889 -46.3791 18.5903 TIMING: 2948200 CPU: 9380.97, 0.00312528/step Wall: 9380.97, 0.00312528/step, 1.78123 hours remaining, 241.523438 MB of memory in use. ENERGY: 2948200 4071.2751 20396.9572 14432.7988 263.0007 -202901.5167 2280.1423 0.0000 0.0000 51711.6570 -109745.6856 297.1876 -161457.3426 -109389.1021 298.7531 -156.9316 -127.5935 761945.6757 -4.2589 -3.9210 LDB: ============= START OF LOAD BALANCING ============== 9393.41 LDB: ============== END OF LOAD BALANCING =============== 9393.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9393.42 LDB: ============= START OF LOAD BALANCING ============== 9393.73 LDB: Largest compute 7048 load 0.033190 is 17.0% of average load 0.195335 LDB: Average compute 0.004386 is 2.2% of average load 0.195335 LDB: TIME 9393.74 LOAD: AVG 0.195335 MAX 0.21297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.293 MB LDB: TIME 9393.74 LOAD: AVG 0.195335 MAX 0.21297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.496 MB LDB: TIME 9393.74 LOAD: AVG 0.195335 MAX 0.21297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.496 MB LDB: ============== END OF LOAD BALANCING =============== 9393.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9393.74 PRESSURE: 2948400 -36.2417 -38.8397 171.934 -38.841 281.721 -143.883 171.934 -143.883 141.478 GPRESSURE: 2948400 21.8578 -75.5734 140.583 -77.3963 228.468 -184.366 120.934 -222.02 213.677 PRESSAVG: 2948400 10.7244 1.53053 20.1164 1.53052 -11.5666 -15.607 20.1164 -15.607 14.3469 GPRESSAVG: 2948400 10.7119 0.998426 19.4008 -0.470228 -11.8705 -16.2136 21.6084 -15.0584 14.4885 TIMING: 2948400 CPU: 9381.61, 0.00320975/step Wall: 9381.61, 0.00320975/step, 1.8292 hours remaining, 239.765625 MB of memory in use. ENERGY: 2948400 3923.8504 20474.0454 14515.4627 236.5010 -203515.6737 2607.4240 0.0000 0.0000 51992.2154 -109766.1748 298.8000 -161758.3901 -109408.2707 298.7371 128.9857 154.6678 759941.4499 4.5016 4.4433 PRESSURE: 2948600 182.897 106.111 -112.176 106.111 250.103 122.662 -112.176 122.662 342.514 GPRESSURE: 2948600 273.567 96.025 -97.3795 56.6695 309.114 129.067 -89.5423 31.9342 294.39 PRESSAVG: 2948600 -48.9115 22.1439 10.2151 22.144 36.1651 -64.1163 10.2151 -64.1162 5.5752 GPRESSAVG: 2948600 -47.4869 23.0299 9.66653 23.5393 35.7089 -63.976 8.63123 -64.9927 4.92715 TIMING: 2948600 CPU: 9382.24, 0.00314653/step Wall: 9382.24, 0.00314653/step, 1.793 hours remaining, 239.968750 MB of memory in use. ENERGY: 2948600 3951.4838 20384.6006 14536.2172 256.9044 -203573.7279 2636.6524 0.0000 0.0000 51975.3779 -109832.4916 298.7032 -161807.8695 -109471.4304 298.8634 258.5046 292.3569 759131.5363 -2.3904 -2.2836 PRESSURE: 2948800 -365.044 100.567 13.271 100.567 -225.631 -254.534 13.2705 -254.534 -144.809 GPRESSURE: 2948800 -331.832 22.91 23.9951 65.8969 -132.901 -287.016 71.2894 -118.112 -186.562 PRESSAVG: 2948800 -53.9207 -6.12331 -21.1703 -6.12327 72.9256 -11.073 -21.1704 -11.073 22.6811 GPRESSAVG: 2948800 -55.3061 -4.74176 -19.9261 -6.96744 73.9008 -9.64056 -20.4679 -9.22321 22.59 TIMING: 2948800 CPU: 9382.87, 0.00314916/step Wall: 9382.87, 0.00314916/step, 1.79432 hours remaining, 239.968750 MB of memory in use. ENERGY: 2948800 3944.2324 20636.9452 14508.0548 242.5689 -203090.6095 2256.3269 0.0000 0.0000 51756.8956 -109745.5857 297.4476 -161502.4813 -109392.9994 298.8488 -245.1613 -217.0984 760915.1883 13.8953 13.7282 PRESSURE: 2949000 -38.5864 -54.0458 18.3701 -54.0462 -105.128 82.5775 18.3721 82.5791 -10.9287 GPRESSURE: 2949000 -28.5204 -108.577 -10.6044 -17.6869 -15.2462 98.6641 5.0347 49.0818 -27.9533 PRESSAVG: 2949000 -67.6169 -35.4732 -44.2785 -35.4732 8.26345 -21.8506 -44.2785 -21.8506 -14.1291 GPRESSAVG: 2949000 -66.1492 -36.5957 -45.2479 -33.9351 7.92043 -21.9674 -43.1067 -21.5947 -14.5524 TIMING: 2949000 CPU: 9383.5, 0.00317117/step Wall: 9383.5, 0.00317117/step, 1.80669 hours remaining, 239.968750 MB of memory in use. ENERGY: 2949000 3950.9589 20537.0378 14473.9428 248.9801 -203868.1722 2753.4995 0.0000 0.0000 52056.4760 -109847.2772 299.1693 -161903.7532 -109486.1348 298.6392 -51.5477 -23.9066 759388.7449 -24.4942 -24.2604 PRESSURE: 2949200 -88.7998 -270.688 -54.6888 -270.687 209.842 -41.6208 -54.6875 -41.6216 249.706 GPRESSURE: 2949200 -94.5247 -140.354 28.6485 -281.542 269.552 -27.7598 -96.2124 -9.95254 266.134 PRESSAVG: 2949200 -30.3774 -30.482 -41.8719 -30.482 34.0839 -6.78601 -41.872 -6.78607 0.965884 GPRESSAVG: 2949200 -31.1075 -30.5223 -40.861 -32.0428 34.0121 -8.26496 -43.2085 -8.2283 2.08766 TIMING: 2949200 CPU: 9384.13, 0.00317087/step Wall: 9384.13, 0.00317087/step, 1.80634 hours remaining, 239.968750 MB of memory in use. ENERGY: 2949200 4029.4506 20611.4930 14509.8297 248.1042 -203793.3248 2862.1577 0.0000 0.0000 51709.9847 -109822.3048 297.1780 -161532.2895 -109480.3559 298.5607 123.5827 147.0540 761063.3240 1.5575 1.6641 PRESSURE: 2949400 161.807 -57.4269 73.2425 -57.4274 101.362 19.7494 73.242 19.7491 111.31 GPRESSURE: 2949400 195.202 -183.971 8.64383 -193.336 163.901 116.35 97.9216 48.7828 83.6023 PRESSAVG: 2949400 4.08636 -23.767 -6.44777 -23.767 3.31221 -24.5153 -6.44786 -24.5154 30.301 GPRESSAVG: 2949400 3.67143 -22.0805 -6.20969 -22.7673 3.97456 -23.5669 -6.19699 -22.8541 30.0914 TIMING: 2949400 CPU: 9384.76, 0.00314583/step Wall: 9384.76, 0.00314583/step, 1.7919 hours remaining, 239.968750 MB of memory in use. ENERGY: 2949400 4020.3862 20514.2319 14531.3341 252.3729 -203734.4726 2837.9461 0.0000 0.0000 51877.6037 -109700.5977 298.1413 -161578.2014 -109332.1247 298.5882 124.8262 147.5684 761708.9130 12.5665 12.5791 PRESSURE: 2949600 -130.098 105.222 -154.359 105.222 -194.613 -57.8663 -154.359 -57.8666 -392.845 GPRESSURE: 2949600 -79.6158 43.9798 -198.531 122.592 -256.819 -5.4732 -170.737 -6.44827 -300.069 PRESSAVG: 2949600 -40.1339 51.1652 11.4392 51.1652 26.3683 -2.64068 11.4392 -2.64074 6.53718 GPRESSAVG: 2949600 -40.0899 47.7171 10.9515 51.3809 25.6634 -2.76063 12.1329 -3.66467 7.06469 TIMING: 2949600 CPU: 9385.39, 0.00315294/step Wall: 9385.39, 0.00315294/step, 1.79578 hours remaining, 239.968750 MB of memory in use. ENERGY: 2949600 3991.6072 20560.3242 14588.8285 256.2454 -203086.7495 2198.2353 0.0000 0.0000 51719.4300 -109772.0788 297.2323 -161491.5088 -109408.0741 298.5372 -239.1855 -212.1682 761564.2640 -2.4095 -2.4539 PRESSURE: 2949800 -88.5596 -179.525 -102.545 -179.525 71.5532 -73.1672 -102.546 -73.1675 150.692 GPRESSURE: 2949800 -89.4438 -209.289 -2.63707 -175.155 157.425 -22.306 -202.41 74.8134 163.067 PRESSAVG: 2949800 8.61339 -20.8868 -35.6676 -20.8867 4.2042 -37.1289 -35.6676 -37.1288 24.4959 GPRESSAVG: 2949800 9.81605 -19.6145 -35.0806 -21.8631 3.82757 -38.7533 -36.3834 -35.1594 23.467 TIMING: 2949800 CPU: 9386.02, 0.00314113/step Wall: 9386.02, 0.00314113/step, 1.78887 hours remaining, 239.968750 MB of memory in use. ENERGY: 2949800 3988.0149 20548.7378 14524.0573 256.3211 -203474.9282 2470.8601 0.0000 0.0000 51834.0812 -109852.8558 297.8912 -161686.9370 -109498.8343 298.1766 44.5619 77.0162 760238.8211 12.4378 12.3702 PRESSURE: 2950000 166.121 -258.333 26.783 -258.333 -124.736 182.17 26.783 182.17 158.983 GPRESSURE: 2950000 210.558 -96.242 -77.6824 -210.527 -32.2639 139.993 -27.1263 53.2929 99.4858 PRESSAVG: 2950000 -23.5658 -15.2039 -73.4042 -15.2039 73.0197 -26.6167 -73.4042 -26.6167 -16.0549 GPRESSAVG: 2950000 -24.2551 -14.0958 -76.0963 -14.4433 73.4883 -25.2278 -72.9899 -27.7528 -15.3966 TIMING: 2950000 CPU: 9386.65, 0.003154/step Wall: 9386.65, 0.003154/step, 1.79603 hours remaining, 239.968750 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: 2950000 3994.5781 20519.2573 14501.9528 226.1276 -203425.6118 2512.2671 0.0000 0.0000 51918.2002 -109753.2287 298.3746 -161671.4289 -109392.1027 298.2336 66.7892 92.5932 759650.0354 11.1330 11.2788 PRESSURE: 2950200 -131.518 73.8727 -141.801 73.8731 -236.512 65.7761 -141.8 65.7755 -254.573 GPRESSURE: 2950200 -32.991 69.1739 -157.839 -19.7644 -305.759 79.6007 -83.8035 9.18149 -201.005 PRESSAVG: 2950200 17.443 5.09445 2.13101 5.09448 29.52 38.1915 2.13104 38.1915 20.2401 GPRESSAVG: 2950200 17.3409 4.23205 3.80778 4.17077 29.0586 38.365 2.84279 37.843 20.7368 TIMING: 2950200 CPU: 9387.28, 0.00314281/step Wall: 9387.28, 0.00314281/step, 1.78948 hours remaining, 239.968750 MB of memory in use. ENERGY: 2950200 3983.7701 20558.2612 14542.5079 251.2847 -203560.2094 2319.2081 0.0000 0.0000 52091.2267 -109813.9507 299.3690 -161905.1774 -109443.9946 298.5015 -207.5345 -179.9182 761008.3106 22.4010 22.3788 PRESSURE: 2950400 413.827 82.7737 215.875 82.7731 90.8562 -251.836 215.876 -251.836 270.747 GPRESSURE: 2950400 418.08 84.0247 145.968 -17.2831 221.92 -140.84 236.481 -111.706 212.951 PRESSAVG: 2950400 -40.1469 40.5928 -38.0946 40.5927 23.754 24.6951 -38.0947 24.6953 -14.2817 GPRESSAVG: 2950400 -39.2435 40.3618 -39.165 41.1629 22.7314 23.873 -37.204 25.4383 -14.3667 TIMING: 2950400 CPU: 9387.91, 0.00315839/step Wall: 9387.91, 0.00315839/step, 1.79818 hours remaining, 239.968750 MB of memory in use. ENERGY: 2950400 3977.4006 20519.7620 14517.4669 256.4941 -203582.1571 2670.8878 0.0000 0.0000 51948.3139 -109691.8317 298.5477 -161640.1456 -109329.3567 298.5251 258.4768 284.3171 759958.2843 -10.2248 -10.2929 PRESSURE: 2950600 5.49653 -245.63 25.3265 -245.631 -288.027 -101.367 25.3267 -101.366 141.557 GPRESSURE: 2950600 20.8882 -240.682 -7.87481 -226.727 -224.211 -164.003 149.036 -149.933 147.017 PRESSAVG: 2950600 41.24 -15.9932 -22.2894 -15.9933 -21.0886 -35.0609 -22.2894 -35.0608 16.3595 GPRESSAVG: 2950600 40.9101 -16.0787 -21.0533 -15.4698 -20.2265 -34.0261 -24.2992 -36.0778 16.1117 TIMING: 2950600 CPU: 9388.54, 0.00313816/step Wall: 9388.54, 0.00313816/step, 1.78649 hours remaining, 239.968750 MB of memory in use. ENERGY: 2950600 3978.1724 20636.0744 14530.3009 260.2758 -203837.3090 2788.5594 0.0000 0.0000 52057.3091 -109586.6170 299.1741 -161643.9262 -109230.3079 298.9296 -46.9909 -18.7685 760470.3843 12.1703 12.2651 PRESSURE: 2950800 -71.6845 -148.618 -228.783 -148.618 -234.732 -146.788 -228.783 -146.789 -101.436 GPRESSURE: 2950800 -52.8022 -174.393 -244.783 -58.5415 -145.075 -69.8512 -124.849 -206.738 -136.144 PRESSAVG: 2950800 23.0633 -18.8043 -42.7691 -18.8043 -31.5018 -10.0842 -42.769 -10.0842 7.96958 GPRESSAVG: 2950800 23.1831 -19.6607 -43.6022 -17.6448 -31.4086 -11.7229 -42.3896 -7.6752 7.15237 TIMING: 2950800 CPU: 9389.17, 0.00315836/step Wall: 9389.17, 0.00315836/step, 1.79781 hours remaining, 239.968750 MB of memory in use. ENERGY: 2950800 4035.8633 20491.0987 14544.7964 225.8912 -203464.6277 2603.8862 0.0000 0.0000 52248.5051 -109314.5868 300.2729 -161563.0919 -108951.3484 299.6364 -135.9509 -111.3405 761159.6173 -0.1563 -0.3577 PRESSURE: 2951000 -9.40018 -81.2542 113.736 -81.2542 -164.847 5.88874 113.735 5.88823 -497.118 GPRESSURE: 2951000 20.4278 -91.8945 105.123 -97.9879 -120.736 -35.2041 139.03 -67.4987 -476.219 PRESSAVG: 2951000 -14.8559 -15.6086 43.6804 -15.6086 -0.151652 21.1077 43.6804 21.1077 -17.903 GPRESSAVG: 2951000 -15.0225 -14.66 45.7812 -16.5773 -0.651961 21.1088 43.4566 20.4124 -17.138 TIMING: 2951000 CPU: 9389.8, 0.00314273/step Wall: 9389.8, 0.00314273/step, 1.78874 hours remaining, 239.968750 MB of memory in use. ENERGY: 2951000 4042.2005 20585.6407 14473.9192 241.1229 -203096.4533 2395.4054 0.0000 0.0000 51843.1413 -109515.0232 297.9432 -161358.1645 -109154.1667 299.7794 -223.7883 -192.1755 763738.0764 -10.9702 -10.9375 PRESSURE: 2951200 -25.2152 18.9606 45.7374 18.9619 159.872 140.285 45.7368 140.286 380.834 GPRESSURE: 2951200 -2.53059 -11.3118 68.1731 -63.6078 117.859 94.402 -111.613 55.6171 470.918 PRESSAVG: 2951200 38.8627 -2.08106 37.2441 -2.08109 -22.4447 -13.9303 37.2441 -13.9304 15.3788 GPRESSAVG: 2951200 39.3263 -2.41681 36.1514 -1.02592 -22.8573 -12.6915 38.4262 -15.392 15.0937 TIMING: 2951200 CPU: 9390.43, 0.00314888/step Wall: 9390.43, 0.00314888/step, 1.79206 hours remaining, 239.968750 MB of memory in use. ENERGY: 2951200 3917.7118 20587.5771 14499.4014 238.3673 -203581.2298 2490.4902 0.0000 0.0000 52289.9584 -109557.7235 300.5111 -161847.6819 -109193.5114 299.2270 171.8302 195.4153 760037.7942 10.5989 10.5209 PRESSURE: 2951400 300.583 81.499 -77.9206 81.4992 261.938 -30.8418 -77.9201 -30.8418 472.443 GPRESSURE: 2951400 333.532 -7.29938 -67.9185 108.252 300.471 -68.6178 -91.1915 -83.6013 485.38 PRESSAVG: 2951400 26.4808 14.8584 22.5641 14.8583 -41.6522 -3.6234 22.5641 -3.6234 36.9527 GPRESSAVG: 2951400 25.3375 14.0384 23.6007 15.3368 -40.7006 -5.35266 20.6217 -2.52809 36.3699 TIMING: 2951400 CPU: 9391.06, 0.00312726/step Wall: 9391.06, 0.00312726/step, 1.77958 hours remaining, 239.968750 MB of memory in use. ENERGY: 2951400 4065.1244 20808.1909 14443.3713 250.8914 -204387.5938 3212.7971 0.0000 0.0000 52120.6431 -109486.5757 299.5381 -161607.2188 -109130.1578 299.7862 344.9884 373.1278 759244.9238 7.2604 7.0023 PRESSURE: 2951600 -149.411 29.2147 27.7324 29.2141 -240.96 33.4909 27.7325 33.4919 116.1 GPRESSURE: 2951600 -142.62 85.4206 59.1863 -68.88 -124.654 71.1958 105.502 76.8841 77.2259 PRESSAVG: 2951600 -35.8605 -40.8922 -22.6504 -40.8922 50.1851 -53.2421 -22.6504 -53.2421 -19.5645 GPRESSAVG: 2951600 -36.1222 -38.4054 -22.1952 -43.775 50.0349 -52.279 -20.5299 -54.4119 -19.4314 TIMING: 2951600 CPU: 9391.68, 0.00313258/step Wall: 9391.68, 0.00313258/step, 1.78244 hours remaining, 239.968750 MB of memory in use. ENERGY: 2951600 4053.8966 20675.9301 14550.6508 244.8387 -203762.9536 2714.8952 0.0000 0.0000 51744.5036 -109778.2387 297.3764 -161522.7422 -109418.1623 299.0604 -91.4236 -63.3494 759961.0568 -1.7467 -1.8396 PRESSURE: 2951800 -239.001 145.228 112.605 145.229 268.424 -94.0715 112.605 -94.0717 161.775 GPRESSURE: 2951800 -98.7846 167.224 113.303 88.854 204.412 -200.474 45.3065 61.8085 164.314 PRESSAVG: 2951800 4.84637 -30.2546 0.820052 -30.2546 36.6533 -47.0395 0.820089 -47.0394 15.9286 GPRESSAVG: 2951800 5.98596 -31.7185 -0.558098 -29.9782 35.6853 -48.6322 0.952991 -43.739 15.9501 TIMING: 2951800 CPU: 9392.31, 0.00314/step Wall: 9392.31, 0.00314/step, 1.78649 hours remaining, 239.968750 MB of memory in use. ENERGY: 2951800 4035.0247 20706.7500 14508.4530 231.7468 -203723.9854 2647.5332 0.0000 0.0000 52103.1181 -109491.3595 299.4373 -161594.4777 -109136.0182 298.9485 63.7324 89.9807 758434.7039 19.1428 19.2071 PRESSURE: 2952000 -190.317 -209.496 -63.7962 -209.496 -208.763 98.7123 -63.796 98.7123 -168.173 GPRESSURE: 2952000 -66.0414 -198.411 -71.7644 -24.7747 -189.854 37.4149 -44.1631 124.488 -219.161 PRESSAVG: 2952000 22.174 -31.419 18.1359 -31.419 -19.5856 0.991657 18.1359 0.991706 12.253 GPRESSAVG: 2952000 21.7472 -31.2683 17.7042 -30.7191 -19.8498 1.65367 16.8388 -0.627214 13.4663 TIMING: 2952000 CPU: 9392.94, 0.00314251/step Wall: 9392.94, 0.0031425/step, 1.78774 hours remaining, 239.968750 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: 2952000 4044.5568 20592.1318 14513.1949 258.5222 -203378.8585 2551.3859 0.0000 0.0000 51898.3581 -109520.7089 298.2606 -161419.0669 -109162.4418 299.2317 -189.0842 -158.3521 760547.8839 4.9471 5.1212 PRESSURE: 2952200 27.0971 2.46457 79.2671 2.46437 111.843 -286.435 79.2666 -286.435 157.213 GPRESSURE: 2952200 85.3851 2.8642 -18.1121 6.74868 160.722 -135.48 120.907 -246.772 149.475 PRESSAVG: 2952200 -4.76667 -26.8638 -11.117 -26.8638 -7.16988 15.8573 -11.117 15.8572 -7.82879 GPRESSAVG: 2952200 -5.07565 -28.0018 -10.5295 -26.6521 -5.97081 17.8121 -11.1273 15.5842 -8.67076 TIMING: 2952200 CPU: 9393.57, 0.00312973/step Wall: 9393.57, 0.00312973/step, 1.7803 hours remaining, 239.968750 MB of memory in use. ENERGY: 2952200 4015.8638 20479.7023 14479.8744 242.5994 -203557.8169 2554.3256 0.0000 0.0000 52290.6693 -109494.7821 300.5152 -161785.4514 -109140.7556 298.9655 98.7174 131.8610 759693.6042 -6.5884 -6.5724 LDB: ============= START OF LOAD BALANCING ============== 9406.02 LDB: ============== END OF LOAD BALANCING =============== 9406.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.02 LDB: ============= START OF LOAD BALANCING ============== 9406.33 LDB: Largest compute 7064 load 0.034741 is 17.8% of average load 0.195395 LDB: Average compute 0.004360 is 2.2% of average load 0.195395 LDB: TIME 9406.34 LOAD: AVG 0.195395 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.25 MB LDB: TIME 9406.34 LOAD: AVG 0.195395 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.449 MB LDB: TIME 9406.34 LOAD: AVG 0.195395 MAX 0.216249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.449 MB LDB: ============== END OF LOAD BALANCING =============== 9406.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.34 PRESSURE: 2952400 143.087 -96.4121 -32.8482 -96.4126 63.0268 -130.486 -32.8479 -130.486 -0.234422 GPRESSURE: 2952400 183.652 57.7717 -100.111 -130.728 121.644 -83.2461 -150.022 -66.4197 -32.4667 PRESSAVG: 2952400 -45.5445 -7.46993 6.73329 -7.46995 54.0305 -5.20111 6.73327 -5.20115 -14.3079 GPRESSAVG: 2952400 -45.6055 -6.41869 5.50782 -8.94417 54.4355 -4.66187 8.35069 -5.41385 -14.5188 TIMING: 2952400 CPU: 9394.21, 0.00321503/step Wall: 9394.21, 0.00321503/step, 1.82864 hours remaining, 240.539062 MB of memory in use. ENERGY: 2952400 4063.8951 20474.4222 14471.1368 243.7280 -203549.7258 2800.6283 0.0000 0.0000 51923.6523 -109572.2631 298.4059 -161495.9154 -109206.2807 299.1389 68.6265 90.9431 760635.0778 -1.9406 -1.8962 PRESSURE: 2952600 -104.556 133.013 -204.915 133.014 -362.433 21.931 -204.915 21.9305 -316.835 GPRESSURE: 2952600 45.3697 229.141 -66.3477 96.915 -367.472 -73.9601 -233.684 27.4205 -361.756 PRESSAVG: 2952600 -42.6717 -13.0856 -5.9754 -13.0856 29.1826 26.3026 -5.97541 26.3026 13.2935 GPRESSAVG: 2952600 -41.0883 -11.407 -4.86095 -11.517 28.0001 26.1541 -5.62017 26.4656 13.41 TIMING: 2952600 CPU: 9394.84, 0.00314329/step Wall: 9394.84, 0.00314329/step, 1.78766 hours remaining, 240.539062 MB of memory in use. ENERGY: 2952600 4012.2261 20529.8880 14510.4854 233.8653 -203301.9926 2602.7964 0.0000 0.0000 52160.1851 -109252.5464 299.7653 -161412.7314 -108893.0769 299.5815 -261.2748 -227.9528 763442.9870 -0.0652 0.1073 PRESSURE: 2952800 10.4065 4.71038 -9.62798 4.71041 -24.7425 -189.152 -9.62802 -189.152 273.289 GPRESSURE: 2952800 110.077 -7.28125 -37.7272 -22.8846 -4.6234 -152.88 -28.339 -258.73 242.667 PRESSAVG: 2952800 -32.1766 29.3332 34.3518 29.3333 36.0509 13.4058 34.3517 13.4058 -8.49437 GPRESSAVG: 2952800 -32.3782 26.7288 34.2156 29.414 35.9348 13.198 32.2482 17.4881 -7.97445 TIMING: 2952800 CPU: 9395.46, 0.00313361/step Wall: 9395.46, 0.00313362/step, 1.78198 hours remaining, 240.539062 MB of memory in use. ENERGY: 2952800 3965.5022 20371.7537 14492.1936 257.3591 -203323.9104 2568.6535 0.0000 0.0000 52171.5221 -109496.9262 299.8305 -161668.4483 -109133.1926 299.7056 86.3176 116.0404 760945.2663 -1.5400 -1.4726 PRESSURE: 2953000 44.4019 -42.5675 149.17 -42.5679 -16.408 176.15 149.17 176.15 -198.777 GPRESSURE: 2953000 7.89574 -54.0843 190.158 -14.9164 102.848 131.117 52.6138 99.8093 -193.067 PRESSAVG: 2953000 -50.0484 -44.4216 43.0111 -44.4216 23.9302 -32.2149 43.0111 -32.2149 12.1547 GPRESSAVG: 2953000 -51.0595 -42.4491 43.0185 -45.425 24.8846 -32.7192 43.6908 -37.1418 11.7165 TIMING: 2953000 CPU: 9396.1, 0.00316481/step Wall: 9396.1, 0.00316481/step, 1.79955 hours remaining, 240.539062 MB of memory in use. ENERGY: 2953000 3961.7329 20542.8857 14450.8245 238.8239 -203354.4841 2387.5054 0.0000 0.0000 52117.8888 -109654.8229 299.5222 -161772.7117 -109301.4173 299.2009 -56.9276 -27.4413 760577.7679 -4.6545 -4.8195 PRESSURE: 2953200 -68.1261 195.16 29.9065 195.16 -100.855 -70.6352 29.9059 -70.6352 -86.8877 GPRESSURE: 2953200 -24.2855 217.258 8.07024 102.274 -94.7395 -106.124 -92.0149 -90.7936 -49.542 PRESSAVG: 2953200 13.3757 26.6105 -57.7286 26.6105 -3.98965 5.63819 -57.7286 5.63823 14.0058 GPRESSAVG: 2953200 13.1216 26.1601 -58.6992 26.12 -4.97277 3.75941 -56.4333 8.24862 16.0588 TIMING: 2953200 CPU: 9396.73, 0.00314348/step Wall: 9396.73, 0.00314348/step, 1.78725 hours remaining, 240.539062 MB of memory in use. ENERGY: 2953200 3945.8207 20500.4283 14521.2075 245.8722 -203700.9545 2579.2420 0.0000 0.0000 52107.2370 -109801.1468 299.4610 -161908.3838 -109433.9964 299.0101 -85.2896 -56.1890 760167.6977 7.7973 8.0692 PRESSURE: 2953400 271.073 49.2699 -110.125 49.2695 28.858 176.556 -110.125 176.555 169.444 GPRESSURE: 2953400 227.534 62.0396 -145.656 99.3901 153.79 151.954 52.6838 202.304 168.207 PRESSAVG: 2953400 4.78985 -13.3843 -19.5241 -13.3843 5.56477 15.7477 -19.5241 15.7477 -19.3746 GPRESSAVG: 2953400 3.91392 -13.9414 -18.2173 -12.071 7.36399 16.9955 -21.2201 16.5341 -20.5759 TIMING: 2953400 CPU: 9397.36, 0.00316005/step Wall: 9397.36, 0.00316006/step, 1.79649 hours remaining, 240.539062 MB of memory in use. ENERGY: 2953400 3931.8942 20572.5640 14474.3495 271.6554 -203756.0348 2696.8941 0.0000 0.0000 52082.4039 -109726.2737 299.3183 -161808.6776 -109362.9195 298.8583 156.4586 183.1768 759921.4580 -3.0067 -3.0993 PRESSURE: 2953600 167.077 -136.232 33.6726 -136.232 219.204 126.517 33.6729 126.517 19.3369 GPRESSURE: 2953600 261.454 -86.4385 41.7417 -134.718 168.94 134.152 13.3516 131.357 74.3147 PRESSAVG: 2953600 84.1397 15.3285 -28.7259 15.3285 -25.2636 -2.07241 -28.7259 -2.07236 31.3265 GPRESSAVG: 2953600 84.7339 16.0897 -28.8564 13.9138 -24.8744 -1.42527 -27.4481 -5.2604 30.2188 TIMING: 2953600 CPU: 9397.99, 0.00314088/step Wall: 9397.99, 0.00314088/step, 1.78541 hours remaining, 240.539062 MB of memory in use. ENERGY: 2953600 3947.5341 20469.7486 14530.2896 252.3095 -203633.9418 2764.7539 0.0000 0.0000 51672.3367 -109996.9693 296.9616 -161669.3060 -109636.7196 298.0275 135.2060 168.2362 761783.9627 30.0675 30.0261 PRESSURE: 2953800 -157.134 74.636 -106.527 74.6362 291.359 -21.5188 -106.528 -21.519 23.5549 GPRESSURE: 2953800 -177.09 46.7209 -40.19 177.726 328.712 -51.7421 -98.8578 131.267 84.5734 PRESSAVG: 2953800 -54.8978 8.15648 7.61454 8.15655 30.3656 7.76399 7.61445 7.76393 -14.8805 GPRESSAVG: 2953800 -54.2189 7.64786 7.70423 9.01949 28.154 9.44246 7.22654 8.5531 -13.6707 TIMING: 2953800 CPU: 9398.61, 0.00313463/step Wall: 9398.61, 0.00313463/step, 1.78169 hours remaining, 240.539062 MB of memory in use. ENERGY: 2953800 3966.8340 20600.6972 14488.6348 262.2679 -203901.1610 3002.4151 0.0000 0.0000 51804.2501 -109776.0617 297.7197 -161580.3118 -109420.9464 298.0318 52.5933 78.7319 761540.3708 -13.1376 -13.2452 PRESSURE: 2954000 -313.747 20.0253 123.172 20.0247 -120.477 -129.787 123.172 -129.788 -127.481 GPRESSURE: 2954000 -341.671 32.9491 156.78 26.5335 33.0273 -162.986 56.4982 -86.2732 -164.928 PRESSAVG: 2954000 -23.9189 -26.1374 22.7069 -26.1373 -9.7505 34.9885 22.7069 34.9885 -11.4654 GPRESSAVG: 2954000 -24.0253 -24.9035 22.8864 -28.5555 -7.68352 32.1429 20.8952 36.1229 -12.7952 TIMING: 2954000 CPU: 9399.24, 0.00312178/step Wall: 9399.24, 0.00312178/step, 1.77421 hours remaining, 240.539062 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: 2954000 3868.1502 20507.3683 14491.1008 254.3781 -203413.2114 2407.9925 0.0000 0.0000 52121.1266 -109763.0949 299.5408 -161884.2215 -109399.1035 298.5900 -187.2348 -157.8571 762414.7134 -15.0450 -14.8347 PRESSURE: 2954200 -128.941 127.027 10.0971 127.028 -105.936 -41.275 10.0965 -41.2752 -171.603 GPRESSURE: 2954200 -77.4279 229.122 47.8686 42.947 -160.255 20.0865 53.3082 -83.8872 -111.949 PRESSAVG: 2954200 3.33669 -24.4781 5.38486 -24.4781 -53.8136 -0.0802788 5.38486 -0.0802901 -9.06148 GPRESSAVG: 2954200 3.70839 -25.66 3.13472 -22.5501 -54.4095 1.96707 5.78599 0.355278 -8.43402 TIMING: 2954200 CPU: 9399.86, 0.00312525/step Wall: 9399.86, 0.00312525/step, 1.77601 hours remaining, 240.539062 MB of memory in use. ENERGY: 2954200 3923.7857 20716.8117 14522.4955 226.0614 -203548.4425 2404.2312 0.0000 0.0000 52080.1887 -109674.8683 299.3056 -161755.0570 -109312.4532 299.0620 -135.4933 -116.5442 761923.4869 -19.8461 -19.7117 PRESSURE: 2954400 6.3532 -9.01543 81.0521 -9.01504 -127.015 86.6556 81.0529 86.6564 -363.864 GPRESSURE: 2954400 -53.1764 49.1915 143.238 2.95209 41.6742 93.6499 89.6566 69.4446 -405.69 PRESSAVG: 2954400 43.5287 12.9077 -56.1536 12.9077 -4.8693 13.7804 -56.1536 13.7804 15.3673 GPRESSAVG: 2954400 43.5981 13.2184 -54.3034 12.4405 -5.00923 12.3628 -54.648 13.441 15.3943 TIMING: 2954400 CPU: 9400.49, 0.00315185/step Wall: 9400.49, 0.00315185/step, 1.79095 hours remaining, 240.539062 MB of memory in use. ENERGY: 2954400 3938.2130 20401.6411 14571.2650 237.0429 -203236.6712 2421.9030 0.0000 0.0000 52149.1140 -109517.4922 299.7017 -161666.6062 -109147.4390 299.0116 -161.5088 -139.0640 763259.4979 18.0089 17.9944 PRESSURE: 2954600 -297.429 -28.5666 -168.457 -28.5657 82.0004 -240.3 -168.457 -240.3 359.139 GPRESSURE: 2954600 -149.92 29.3246 -187.107 -6.30701 19.3649 -249.009 -81.2014 -138.224 362.019 PRESSAVG: 2954600 30.6115 15.6684 -30.1392 15.6684 -29.8904 43.3785 -30.1393 43.3786 4.99105 GPRESSAVG: 2954600 30.989 15.7039 -29.8072 13.782 -30.7631 44.081 -31.5078 42.7725 5.58928 TIMING: 2954600 CPU: 9401.13, 0.00316639/step Wall: 9401.13, 0.00316639/step, 1.79904 hours remaining, 240.539062 MB of memory in use. ENERGY: 2954600 4003.5014 20579.2415 14409.8623 242.4745 -203311.2263 2491.7985 0.0000 0.0000 52209.5118 -109374.8362 300.0488 -161584.3480 -109006.0101 299.4713 47.9034 77.1548 761134.0681 1.9041 1.9384 PRESSURE: 2954800 -165.358 -80.9542 12.8722 -80.9544 -101.824 -358.608 12.8718 -358.608 28.2061 GPRESSURE: 2954800 -60.2065 24.1963 -64.4262 -191.275 -152.197 -405.01 88.7486 -267.335 44.8501 PRESSAVG: 2954800 7.59077 15.0536 1.78421 15.0536 -30.2756 -50.1728 1.7843 -50.1728 9.40325 GPRESSAVG: 2954800 8.56032 16.4881 1.04563 14.6902 -29.5165 -50.8268 3.95368 -48.3052 7.77556 TIMING: 2954800 CPU: 9401.75, 0.00314042/step Wall: 9401.75, 0.00314042/step, 1.78411 hours remaining, 240.539062 MB of memory in use. ENERGY: 2954800 4026.9610 20615.1921 14513.1077 238.1287 -203337.3026 2368.7525 0.0000 0.0000 52201.6770 -109373.4835 300.0038 -161575.1605 -109017.2580 299.9484 -79.6585 -55.8511 761099.2745 -4.4272 -4.3935 PRESSURE: 2955000 -93.6017 43.2564 -6.39076 43.257 15.3835 122.506 -6.39074 122.506 172.016 GPRESSURE: 2955000 -126.386 92.4583 54.3793 197.572 189.335 140.049 -198.87 90.1877 130.358 PRESSAVG: 2955000 5.84471 16.1565 27.033 16.1565 -24.3318 -30.8975 27.033 -30.8975 -0.300541 GPRESSAVG: 2955000 4.91476 14.3696 28.0552 18.5447 -23.298 -28.8605 25.3756 -32.0619 -1.04882 TIMING: 2955000 CPU: 9402.38, 0.00314936/step Wall: 9402.38, 0.00314936/step, 1.78901 hours remaining, 240.539062 MB of memory in use. ENERGY: 2955000 3993.8186 20467.8752 14467.3255 224.1930 -203348.8492 2440.1580 0.0000 0.0000 52052.1161 -109703.3628 299.1442 -161755.4788 -109346.0798 299.2012 31.2659 64.4358 760982.9439 -6.2626 -6.4774 PRESSURE: 2955200 149.695 -42.6681 -111.124 -42.6682 -11.4692 129.763 -111.124 129.763 -106.598 GPRESSURE: 2955200 110.032 -79.4507 -63.0063 19.4569 35.1428 117.795 -72.6833 7.90327 -43.8319 PRESSAVG: 2955200 -2.07767 21.998 16.415 21.9981 13.2608 62.1068 16.4151 62.1068 13.396 GPRESSAVG: 2955200 -2.66454 23.3319 15.2197 20.8466 12.6536 60.7316 16.001 61.4639 14.5233 TIMING: 2955200 CPU: 9403.01, 0.00314152/step Wall: 9403.01, 0.00314152/step, 1.78438 hours remaining, 240.539062 MB of memory in use. ENERGY: 2955200 3984.1859 20626.0685 14447.4056 214.9563 -203703.9456 2823.6990 0.0000 0.0000 51885.4761 -109722.1543 298.1865 -161607.6303 -109353.4108 298.6345 10.5428 33.7809 760213.5658 8.1931 8.1708 PRESSURE: 2955400 -340.741 152.427 301.659 152.426 -84.6536 142.919 301.659 142.918 -81.7901 GPRESSURE: 2955400 -196.126 174.035 246.361 136.29 -98.1778 115.88 307.972 30.252 -129.482 PRESSAVG: 2955400 -15.446 2.73139 42.0842 2.73134 -22.1734 15.755 42.0843 15.7551 -5.93798 GPRESSAVG: 2955400 -14.8344 2.50063 41.5068 2.82849 -22.9232 15.8278 42.9498 15.2653 -5.8431 TIMING: 2955400 CPU: 9403.64, 0.0031572/step Wall: 9403.64, 0.0031572/step, 1.79311 hours remaining, 240.539062 MB of memory in use. ENERGY: 2955400 4000.8354 20586.0013 14452.4696 247.9160 -203253.9907 2498.0497 0.0000 0.0000 51851.6564 -109617.0623 297.9922 -161468.7187 -109256.7154 298.2828 -169.0615 -141.2618 762411.9293 -14.5191 -14.5336 PRESSURE: 2955600 -179.564 -14.7349 -28.4801 -14.7346 -150.825 58.9179 -28.4804 58.9179 -597.849 GPRESSURE: 2955600 -181.665 -187.302 -66.3675 39.2619 -21.318 110.858 -42.7117 33.4896 -626.585 PRESSAVG: 2955600 -6.6196 -57.9739 23.6927 -57.974 24.4213 -1.99117 23.6927 -1.99115 -1.86165 GPRESSAVG: 2955600 -6.40584 -60.379 23.572 -58.0607 25.2535 0.30437 23.597 -5.42364 -2.52853 TIMING: 2955600 CPU: 9404.27, 0.00315086/step Wall: 9404.27, 0.00315086/step, 1.78934 hours remaining, 240.539062 MB of memory in use. ENERGY: 2955600 4090.4369 20424.7760 14524.7223 245.2294 -203177.3981 2357.3203 0.0000 0.0000 52098.7707 -109436.1425 299.4124 -161534.9132 -109083.7062 298.9910 -309.4129 -276.5227 761376.0197 5.3133 5.4397 PRESSURE: 2955800 263.334 183.494 -67.8686 183.493 62.1495 57.9485 -67.8682 57.9489 300.643 GPRESSURE: 2955800 285.511 248.17 -48.6739 162.208 175.157 78.577 -147.943 43.4472 262.249 PRESSAVG: 2955800 -18.8299 -5.3523 2.45868 -5.35233 -20.467 9.98774 2.45865 9.98775 4.86008 GPRESSAVG: 2955800 -20.1943 -5.35385 2.87196 -5.00151 -20.3059 10.101 1.91337 12.2281 5.80909 TIMING: 2955800 CPU: 9404.9, 0.00314855/step Wall: 9404.9, 0.00314855/step, 1.78785 hours remaining, 240.539062 MB of memory in use. ENERGY: 2955800 3955.2114 20392.6916 14550.1584 250.3175 -203381.1597 2586.4095 0.0000 0.0000 52439.8267 -109206.5446 301.3724 -161646.3712 -108842.9130 299.1514 208.7090 240.9724 760098.3492 -11.4789 -11.5637 PRESSURE: 2956000 -260.339 250.908 -66.6031 250.907 -346.142 -19.0628 -66.6031 -19.0648 -243.538 GPRESSURE: 2956000 -303.459 123.827 -9.91894 258.428 -258.905 75.8785 -77.2882 9.3248 -199.368 PRESSAVG: 2956000 -12.587 34.3801 -14.5014 34.3801 30.2672 29.778 -14.5015 29.7781 -16.4581 GPRESSAVG: 2956000 -12.4718 33.0006 -14.4358 35.3636 29.9298 26.834 -15.2438 31.2882 -15.8238 TIMING: 2956000 CPU: 9405.53, 0.00314335/step Wall: 9405.53, 0.00314335/step, 1.78473 hours remaining, 240.539062 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: 2956000 4001.9815 20589.4673 14548.3062 252.8722 -202975.6879 2353.2383 0.0000 0.0000 52102.1592 -109127.6632 299.4318 -161229.8224 -108775.5441 299.5835 -283.3397 -253.9105 761899.7195 0.4074 0.5447 PRESSURE: 2956200 -365.521 -165.01 67.0002 -165.01 -107.624 44.3989 67.0013 44.3989 -263.011 GPRESSURE: 2956200 -275.994 -117.477 69.0986 -197.538 -185.345 -19.3851 175.196 157.404 -196.017 PRESSAVG: 2956200 -1.59058 7.06546 10.2185 7.06546 -91.388 65.7438 10.2185 65.7438 13.2806 GPRESSAVG: 2956200 -0.344244 10.3962 10.29 5.75733 -92.4085 68.7969 11.7971 65.0495 13.2758 TIMING: 2956200 CPU: 9406.16, 0.0031454/step Wall: 9406.16, 0.0031454/step, 1.78571 hours remaining, 240.539062 MB of memory in use. ENERGY: 2956200 3970.2109 20491.9275 14491.6283 237.0122 -202958.3442 2275.2253 0.0000 0.0000 52362.6436 -109129.6962 300.9288 -161492.3398 -108758.3909 299.8978 -245.3854 -219.1188 762471.5031 -26.5660 -26.4923 LDB: ============= START OF LOAD BALANCING ============== 9418.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9418.61 LDB: =============== DONE WITH MIGRATION ================ 9418.61 LDB: ============= START OF LOAD BALANCING ============== 9418.93 LDB: Largest compute 7064 load 0.035027 is 17.9% of average load 0.195363 LDB: Average compute 0.004358 is 2.2% of average load 0.195363 LDB: TIME 9418.93 LOAD: AVG 0.195363 MAX 0.215724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.996 MB LDB: TIME 9418.93 LOAD: AVG 0.195363 MAX 0.215724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.035 MB LDB: TIME 9418.93 LOAD: AVG 0.195363 MAX 0.215724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.035 MB LDB: ============== END OF LOAD BALANCING =============== 9418.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9418.94 PRESSURE: 2956400 -11.0881 -4.12902 -163.193 -4.12962 -20.7618 106.178 -163.193 106.179 267.614 GPRESSURE: 2956400 46.6378 -7.48483 -158.791 54.3583 22.5327 196.488 -307.317 80.9571 219.409 PRESSAVG: 2956400 -6.21223 -16.8522 7.46096 -16.8522 3.99412 45.0628 7.46093 45.0628 -1.37786 GPRESSAVG: 2956400 -6.36678 -16.7771 8.77894 -15.7106 4.46792 42.6922 5.8535 44.6136 -1.41305 TIMING: 2956400 CPU: 9406.8, 0.00321519/step Wall: 9406.8, 0.00321519/step, 1.82516 hours remaining, 241.312500 MB of memory in use. ENERGY: 2956400 4039.5299 20552.7887 14448.7552 242.7410 -203182.1871 2407.0663 0.0000 0.0000 52278.6790 -109212.6270 300.4463 -161491.3060 -108844.0965 300.0501 78.5881 96.1932 759511.9264 -1.1987 -1.1040 PRESSURE: 2956600 -198.385 -17.444 55.189 -17.4438 -23.6807 183.237 55.1897 183.235 95.1007 GPRESSURE: 2956600 -201.28 -42.4025 107.103 -17.0378 -70.1136 192.322 113.513 317.719 221.904 PRESSAVG: 2956600 20.9138 -22.5367 -13.8197 -22.5366 -33.013 62.5688 -13.8197 62.5689 20.7577 GPRESSAVG: 2956600 20.9692 -23.1797 -16.2485 -23.6398 -32.0529 63.1923 -10.9584 63.4622 19.8892 TIMING: 2956600 CPU: 9407.43, 0.00314313/step Wall: 9407.43, 0.00314313/step, 1.78408 hours remaining, 241.312500 MB of memory in use. ENERGY: 2956600 3900.1659 20602.0781 14442.4195 240.1998 -203175.2158 2488.8727 0.0000 0.0000 52231.0162 -109270.4638 300.1724 -161501.4800 -108911.0417 299.6097 -42.3216 -16.4968 760502.5251 2.8862 2.9352 PRESSURE: 2956800 5.50762 74.8801 18.5803 74.8811 -560.26 183.915 18.5795 183.916 -276.003 GPRESSURE: 2956800 -34.7899 109.872 -63.4568 101.844 -430.712 143.291 -85.8994 108.362 -265.16 PRESSAVG: 2956800 31.2564 -6.14357 -2.96675 -6.14351 -53.6825 53.6053 -2.96677 53.6054 26.1766 GPRESSAVG: 2956800 30.4101 -8.00743 -1.59354 -5.38233 -53.6409 52.7375 -4.9257 53.7695 26.687 TIMING: 2956800 CPU: 9408.07, 0.00316377/step Wall: 9408.07, 0.00316377/step, 1.79562 hours remaining, 241.312500 MB of memory in use. ENERGY: 2956800 4013.0030 20431.9178 14470.3498 266.6970 -202639.5654 2220.8417 0.0000 0.0000 52109.4161 -109127.3400 299.4735 -161236.7561 -108771.7868 299.5441 -276.9182 -243.5540 761737.0434 1.2502 1.1521 PRESSURE: 2957000 -164.054 -37.2234 -8.35243 -37.223 -79.4404 192.123 -8.35331 192.124 52.506 GPRESSURE: 2957000 -6.15477 -159.272 77.5665 -66.7415 -57.7825 218.323 -80.8813 159.502 -35.3575 PRESSAVG: 2957000 10.9802 -34.6666 -15.4074 -34.6666 -14.3252 -35.3746 -15.4075 -35.3746 -18.7264 GPRESSAVG: 2957000 11.8305 -34.2867 -15.4632 -35.4389 -14.9346 -34.1009 -17.0626 -37.682 -19.4923 TIMING: 2957000 CPU: 9408.7, 0.00314823/step Wall: 9408.7, 0.00314823/step, 1.78662 hours remaining, 241.312500 MB of memory in use. ENERGY: 2957000 4011.7690 20394.2038 14490.4601 255.9909 -203172.4957 2467.8649 0.0000 0.0000 52353.2275 -109198.9794 300.8747 -161552.2069 -108824.7866 299.7711 -63.6628 -33.0983 759068.8341 -7.3571 -7.5321 PRESSURE: 2957200 -132.665 -77.8718 163.092 -77.8715 51.2599 -122.546 163.092 -122.547 -243.929 GPRESSURE: 2957200 -72.5053 -25.9336 165.362 40.4152 83.7934 -44.2507 206.861 -248.781 -245.616 PRESSAVG: 2957200 -2.03071 -21.0013 11.1224 -21.0012 2.56101 8.03332 11.1224 8.03327 -21.8977 GPRESSAVG: 2957200 -2.94864 -19.2995 11.7088 -17.243 2.16774 6.48325 14.8016 10.2122 -21.2723 TIMING: 2957200 CPU: 9409.32, 0.00314411/step Wall: 9409.32, 0.00314411/step, 1.78411 hours remaining, 241.312500 MB of memory in use. ENERGY: 2957200 4007.4300 20592.3037 14426.7335 237.5587 -203238.9749 2422.0530 0.0000 0.0000 51954.9569 -109597.9390 298.5859 -161552.8959 -109236.2723 299.7635 -108.4445 -78.1093 761325.6081 -7.1225 -7.3511 PRESSURE: 2957400 -78.8236 124.406 -68.3623 124.406 34.7743 -157.475 -68.3624 -157.475 -159.416 GPRESSURE: 2957400 -28.2876 276.772 -47.8149 125.195 11.5843 -42.9304 -74.5279 -65.4356 -116.576 PRESSAVG: 2957400 35.7224 -3.41756 23.9781 -3.41757 -34.3375 -7.36146 23.978 -7.36137 -1.13565 GPRESSAVG: 2957400 35.8256 -3.19618 21.9776 -7.35874 -33.9517 -5.94272 23.4583 -8.73198 -1.32301 TIMING: 2957400 CPU: 9409.95, 0.0031272/step Wall: 9409.95, 0.0031272/step, 1.77434 hours remaining, 241.312500 MB of memory in use. ENERGY: 2957400 4088.9694 20550.4260 14461.9319 244.6037 -203351.6090 2645.6978 0.0000 0.0000 52114.2708 -109245.7094 299.5014 -161359.9803 -108892.4253 299.7476 -67.8219 -44.4263 762472.4569 0.0831 0.1836 PRESSURE: 2957600 85.4055 198.417 130.332 198.417 -334.177 -5.85957 130.332 -5.85965 140.445 GPRESSURE: 2957600 133.934 52.5857 185.569 144.919 -295.577 -15.4014 135.303 56.5594 149.779 PRESSAVG: 2957600 -56.729 -3.83756 2.54469 -3.83762 29.1908 39.2587 2.54466 39.2587 -10.2367 GPRESSAVG: 2957600 -56.4803 -6.04105 2.68693 -3.84791 28.4578 37.2599 2.72 43.1088 -9.72064 TIMING: 2957600 CPU: 9410.58, 0.00312655/step Wall: 9410.58, 0.00312655/step, 1.7738 hours remaining, 241.312500 MB of memory in use. ENERGY: 2957600 4011.0690 20507.8547 14551.7422 241.2666 -203017.8081 2485.8433 0.0000 0.0000 51928.3645 -109291.6677 298.4330 -161220.0322 -108928.1669 299.6510 -36.1091 -3.9550 761756.0267 -12.5916 -12.5810 PRESSURE: 2957800 33.8336 -212.969 -31.4699 -212.969 -29.9735 -108.384 -31.4698 -108.385 -48.9893 GPRESSURE: 2957800 29.8806 -25.9565 -56.6917 -117.246 -16.7519 -140.141 -93.0077 -81.2998 30.6031 PRESSAVG: 2957800 -8.39668 27.9794 -12.7207 27.9793 10.8614 14.4958 -12.7207 14.4957 18.3109 GPRESSAVG: 2957800 -9.63603 29.5217 -12.0384 28.0738 12.2757 16.4151 -13.8396 12.8083 18.3384 TIMING: 2957800 CPU: 9411.2, 0.0031269/step Wall: 9411.2, 0.0031269/step, 1.77382 hours remaining, 241.312500 MB of memory in use. ENERGY: 2957800 3902.7368 20585.5185 14402.0108 262.4790 -203069.1050 2445.8809 0.0000 0.0000 51938.7117 -109531.7674 298.4925 -161470.4790 -109171.8071 299.3238 -15.0430 14.5773 763148.8269 6.9252 6.9927 PRESSURE: 2958000 94.161 75.9875 -1.55044 75.9882 -10.8302 79.8474 -1.54971 79.8464 -203.021 GPRESSURE: 2958000 2.85263 10.8686 -36.2962 79.1897 135.511 33.5102 -102.165 95.242 -191.374 PRESSAVG: 2958000 15.9447 14.0349 8.27074 14.0349 -10.0705 8.48349 8.27076 8.48353 -17.6358 GPRESSAVG: 2958000 16.3758 13.1826 9.22616 14.7639 -11.4113 8.78514 8.76777 9.4856 -16.3883 TIMING: 2958000 CPU: 9411.83, 0.00313782/step Wall: 9411.83, 0.00313782/step, 1.77984 hours remaining, 241.312500 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: 2958000 3940.8927 20347.2003 14491.5575 237.2589 -203002.1101 2402.0196 0.0000 0.0000 51994.6888 -109588.4923 298.8142 -161583.1811 -109221.2788 298.7273 -39.8966 -17.6701 760270.8142 -3.9205 -3.8079 PRESSURE: 2958200 84.5692 -147.29 -65.2223 -147.289 -53.6647 -8.44636 -65.222 -8.4468 -123.132 GPRESSURE: 2958200 158.169 27.771 -112.885 -96.5257 40.2357 132.739 -65.5074 88.3327 -185.847 PRESSAVG: 2958200 0.582623 10.2694 -46.1759 10.2694 10.035 -14.1326 -46.1759 -14.1325 -1.93188 GPRESSAVG: 2958200 0.878524 10.0464 -46.9958 11.7208 11.1119 -14.5925 -47.2183 -17.3589 -3.40562 TIMING: 2958200 CPU: 9412.45, 0.00313281/step Wall: 9412.45, 0.00313281/step, 1.77682 hours remaining, 241.312500 MB of memory in use. ENERGY: 2958200 4022.1171 20503.1958 14517.3643 231.6717 -203433.7866 2612.3786 0.0000 0.0000 51987.0082 -109560.0509 298.7701 -161547.0591 -109193.4312 299.2538 -30.7426 4.1859 760417.0836 2.8953 2.8616 PRESSURE: 2958400 116.833 -14.1838 -39.6765 -14.1842 271.853 -125.386 -39.6766 -125.387 -109.307 GPRESSURE: 2958400 178.135 74.4899 -52.1237 27.9192 252.452 -215.917 -116.724 -193.586 -68.6008 PRESSAVG: 2958400 -12.9725 16.0632 -19.5871 16.0632 13.1675 -20.4531 -19.5871 -20.4531 14.6489 GPRESSAVG: 2958400 -13.7015 17.7437 -19.4547 14.5333 14.18 -20.7616 -17.3561 -18.0644 14.8064 TIMING: 2958400 CPU: 9413.08, 0.0031203/step Wall: 9413.08, 0.0031203/step, 1.76955 hours remaining, 241.312500 MB of memory in use. ENERGY: 2958400 3911.4879 20531.7300 14503.4885 244.2199 -203214.7539 2224.8724 0.0000 0.0000 52254.7870 -109544.1682 300.3090 -161798.9552 -109174.7481 299.2028 93.1262 120.6621 758943.6514 4.9480 5.0950 PRESSURE: 2958600 -311.154 -53.439 -211.167 -53.439 -19.3477 -86.5489 -211.167 -86.5485 -130.686 GPRESSURE: 2958600 -226.343 -108.323 -177.124 -48.8897 -45.0114 -27.0924 -153.518 -72.8774 -115.685 PRESSAVG: 2958600 4.18558 -37.081 -39.0845 -37.081 25.0823 -0.868917 -39.0846 -0.868954 12.8435 GPRESSAVG: 2958600 5.42529 -37.9297 -38.641 -37.1517 24.7105 0.154483 -39.609 -0.620203 11.7994 TIMING: 2958600 CPU: 9413.7, 0.0031294/step Wall: 9413.7, 0.0031294/step, 1.77454 hours remaining, 241.312500 MB of memory in use. ENERGY: 2958600 3970.7083 20594.0818 14464.8038 246.4241 -203349.0754 2589.1811 0.0000 0.0000 51766.2045 -109717.6719 297.5011 -161483.8764 -109351.4010 298.5290 -153.7294 -129.0133 759516.0481 14.0371 13.9784 PRESSURE: 2958800 99.3277 -189.712 -22.2501 -189.711 196.645 170.752 -22.2501 170.752 -17.8344 GPRESSURE: 2958800 172.895 -172.186 58.2167 -120.83 244.462 195.182 -15.7362 151.044 -47.6614 PRESSAVG: 2958800 8.23108 -48.4574 8.67818 -48.4575 45.9588 -13.5058 8.67816 -13.5057 22.7219 GPRESSAVG: 2958800 7.2808 -46.7307 7.89571 -46.9779 46.5584 -15.0004 9.19298 -12.9902 23.0199 TIMING: 2958800 CPU: 9414.33, 0.00313316/step Wall: 9414.33, 0.00313315/step, 1.7765 hours remaining, 241.312500 MB of memory in use. ENERGY: 2958800 4005.3012 20501.2480 14409.9551 239.4618 -203842.4913 2768.7570 0.0000 0.0000 52057.4088 -109860.3594 299.1746 -161917.7682 -109501.9679 298.5102 92.7127 123.2319 761034.6236 25.6373 25.6197 PRESSURE: 2959000 -331.125 -19.8687 10.2462 -19.8688 -129.47 -11.8589 10.2458 -11.8578 -58.2615 GPRESSURE: 2959000 -234.265 -94.3809 -23.8345 -75.596 -147.475 131.568 -99.4622 -31.7758 -62.615 PRESSAVG: 2959000 -17.5084 -44.5615 3.7465 -44.5615 -16.2911 52.2559 3.74656 52.2558 -10.119 GPRESSAVG: 2959000 -17.4933 -46.0295 2.80262 -43.9899 -17.3494 53.7929 1.36458 49.5756 -9.05009 TIMING: 2959000 CPU: 9414.96, 0.00312908/step Wall: 9414.96, 0.00312908/step, 1.77401 hours remaining, 241.312500 MB of memory in use. ENERGY: 2959000 4024.0277 20614.1206 14477.7479 259.3917 -203616.5278 2432.3186 0.0000 0.0000 51780.9837 -110027.9376 297.5860 -161808.9212 -109666.4511 298.4313 -172.9523 -148.1185 762073.2425 -14.6395 -14.6309 PRESSURE: 2959200 -167.79 -182.941 31.9319 -182.941 -121.545 9.27073 31.9313 9.27064 -254.879 GPRESSURE: 2959200 -179.456 -90.3877 63.657 -192.306 7.17862 -44.2669 134.188 63.0686 -298.597 PRESSAVG: 2959200 2.55181 -22.8018 -13.2519 -22.8018 -7.83618 3.24504 -13.2519 3.24498 2.49739 GPRESSAVG: 2959200 1.79357 -23.6932 -11.6301 -22.9253 -6.75765 1.27707 -11.6663 7.69586 2.40829 TIMING: 2959200 CPU: 9415.58, 0.00312833/step Wall: 9415.58, 0.00312833/step, 1.77342 hours remaining, 241.312500 MB of memory in use. ENERGY: 2959200 4056.5589 20410.4314 14465.4231 236.1201 -203428.6799 2353.6544 0.0000 0.0000 51956.6457 -109949.8462 298.5956 -161906.4919 -109584.1076 298.2645 -181.4044 -156.9580 762486.3361 -0.9290 -0.8519 PRESSURE: 2959400 -89.7862 -41.4872 16.3007 -41.4875 -243.331 48.0488 16.3012 48.048 -40.691 GPRESSURE: 2959400 -40.7749 -79.9921 41.9424 -58.6393 -180.527 134.633 -63.769 -3.03972 -60.7845 PRESSAVG: 2959400 -42.9361 21.8581 -13.9875 21.8581 55.9196 12.9171 -13.9875 12.9171 15.449 GPRESSAVG: 2959400 -43.3224 24.1867 -14.052 21.485 56.49 13.9928 -15.4388 12.1393 15.0142 TIMING: 2959400 CPU: 9416.21, 0.00313806/step Wall: 9416.21, 0.00313806/step, 1.77876 hours remaining, 241.312500 MB of memory in use. ENERGY: 2959400 4025.4531 20608.5522 14485.5938 251.1196 -203513.1630 2424.5714 0.0000 0.0000 51968.1354 -109749.7374 298.6616 -161717.8728 -109396.8402 298.3559 -124.6025 -94.0289 759959.7055 9.4775 9.3939 PRESSURE: 2959600 55.4708 36.6428 -238.568 36.6433 -79.5263 89.0464 -238.568 89.0467 17.395 GPRESSURE: 2959600 20.1888 -68.3123 -163.681 -71.24 -26.3324 126.359 -158.198 11.6677 81.8101 PRESSAVG: 2959600 11.4856 33.3483 -12.9784 33.3483 24.2614 25.5391 -12.9784 25.5391 3.53233 GPRESSAVG: 2959600 13.4238 30.5556 -13.4058 32.6577 22.5208 27.2751 -11.5148 25.5976 3.5692 TIMING: 2959600 CPU: 9416.84, 0.00313782/step Wall: 9416.84, 0.00313782/step, 1.77845 hours remaining, 241.312500 MB of memory in use. ENERGY: 2959600 4069.2363 20468.2781 14421.4152 256.1958 -203754.7780 2840.4530 0.0000 0.0000 52073.5737 -109625.6259 299.2675 -161699.1996 -109271.0737 299.2164 -2.2202 25.2222 760936.3846 13.0931 13.1713 PRESSURE: 2959800 -359.005 134.506 14.738 134.507 -135.133 -67.1153 14.7388 -67.1147 -237.316 GPRESSURE: 2959800 -258.982 44.4806 -54.277 163.197 -81.8562 -123.196 5.62691 -110.2 -296.784 PRESSAVG: 2959800 -38.1352 -2.32465 -16.6614 -2.32463 -8.29833 -25.6383 -16.6614 -25.6383 4.75587 GPRESSAVG: 2959800 -36.6707 -2.15633 -16.5781 -1.1807 -7.85376 -27.6132 -15.4981 -28.792 3.14701 TIMING: 2959800 CPU: 9417.47, 0.00313915/step Wall: 9417.47, 0.00313915/step, 1.77903 hours remaining, 241.312500 MB of memory in use. ENERGY: 2959800 4063.3192 20472.9563 14499.0078 246.3330 -203633.9958 2816.4262 0.0000 0.0000 51949.8613 -109586.0920 298.5566 -161535.9533 -109221.2819 298.7513 -243.8181 -212.5409 760471.6820 -13.8925 -13.7925 PRESSURE: 2960000 -17.8825 144.987 194.819 144.987 5.86262 19.3526 194.819 19.3532 49.5753 GPRESSURE: 2960000 71.3522 97.6686 112.517 33.522 76.8369 9.4535 237.758 62.1406 -19.4506 PRESSAVG: 2960000 -23.9449 -28.7835 -14.2302 -28.7835 16.7645 4.83915 -14.2303 4.8393 9.86845 GPRESSAVG: 2960000 -24.2941 -28.2885 -15.3464 -29.597 16.2287 5.10478 -13.1027 8.4711 10.9112 TIMING: 2960000 CPU: 9418.09, 0.00313109/step Wall: 9418.09, 0.00313109/step, 1.77429 hours remaining, 241.312500 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: 2960000 4024.4546 20498.0141 14435.6542 262.1001 -203875.4476 2960.4739 0.0000 0.0000 52290.6408 -109404.1098 300.5150 -161694.7506 -109034.0167 299.6860 12.5185 42.9129 761148.9202 0.8960 0.9486 PRESSURE: 2960200 -132.509 -20.9218 -90.8503 -20.9218 -6.35009 37.7242 -90.8506 37.7258 49.1752 GPRESSURE: 2960200 -96.6336 154.294 -37.1515 33.6137 11.0079 -13.0408 -81.7558 81.0784 89.7129 PRESSAVG: 2960200 21.1999 26.4304 -18.8568 26.4305 19.0053 60.8266 -18.8568 60.8266 1.1454 GPRESSAVG: 2960200 20.9745 27.4443 -17.6466 27.1544 18.7196 59.5375 -22.1301 60.9051 1.46578 TIMING: 2960200 CPU: 9418.72, 0.00312092/step Wall: 9418.72, 0.00312092/step, 1.76835 hours remaining, 241.312500 MB of memory in use. ENERGY: 2960200 3977.0680 20454.2109 14508.3157 221.2715 -203462.1855 2577.3002 0.0000 0.0000 52107.1453 -109616.8739 299.4605 -161724.0192 -109266.8703 299.2296 -29.8947 1.3624 761638.2030 13.7835 13.7200 LDB: ============= START OF LOAD BALANCING ============== 9431.17 LDB: ============== END OF LOAD BALANCING =============== 9431.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9431.17 LDB: ============= START OF LOAD BALANCING ============== 9431.48 LDB: Largest compute 7064 load 0.035609 is 18.2% of average load 0.195332 LDB: Average compute 0.004371 is 2.2% of average load 0.195332 LDB: TIME 9431.48 LOAD: AVG 0.195332 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.477 MB LDB: TIME 9431.48 LOAD: AVG 0.195332 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.574 MB LDB: TIME 9431.48 LOAD: AVG 0.195332 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.574 MB LDB: ============== END OF LOAD BALANCING =============== 9431.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9431.49 PRESSURE: 2960400 -508.895 146.358 -3.28197 146.357 -499.178 186.998 -3.28092 186.998 -735.055 GPRESSURE: 2960400 -511.45 111.895 -0.265389 240.256 -492.397 177.255 79.3444 223.05 -657.442 PRESSAVG: 2960400 -35.45 21.5516 21.3407 21.5516 28.1973 64.2624 21.3406 64.2624 -4.1288 GPRESSAVG: 2960400 -37.0516 21.594 21.4958 20.6316 29.9316 66.0273 23.3919 61.5704 -3.71485 TIMING: 2960400 CPU: 9419.36, 0.00319866/step Wall: 9419.36, 0.00319866/step, 1.81222 hours remaining, 241.636719 MB of memory in use. ENERGY: 2960400 3998.5757 20711.9713 14496.3208 239.3168 -202963.6300 2204.1870 0.0000 0.0000 51830.1894 -109483.0689 297.8688 -161313.2583 -109121.4641 298.9276 -581.0427 -553.7633 763296.2153 -3.7938 -3.6116 PRESSURE: 2960600 -140.487 113.225 222.424 113.226 230.448 91.7789 222.424 91.7793 332.635 GPRESSURE: 2960600 -36.0483 74.4493 155.93 35.8618 218.404 64.6594 144.7 160.534 322.568 PRESSAVG: 2960600 -12.4113 -1.40713 18.2949 -1.4071 -35.5579 27.4021 18.2948 27.4022 8.74645 GPRESSAVG: 2960600 -10.8876 -2.0103 18.7353 -0.163896 -37.5656 26.536 17.698 30.1946 8.99597 TIMING: 2960600 CPU: 9419.98, 0.00313619/step Wall: 9419.98, 0.00313619/step, 1.77665 hours remaining, 241.636719 MB of memory in use. ENERGY: 2960600 3994.6837 20629.0026 14559.5467 252.5247 -203533.3907 2585.1606 0.0000 0.0000 51893.0704 -109619.4020 298.2302 -161512.4724 -109268.7325 299.1074 140.8653 168.3081 760813.4713 -13.0743 -13.1524 PRESSURE: 2960800 -101.991 104.957 -248.471 104.957 93.4105 -43.1796 -248.47 -43.1786 -43.8962 GPRESSURE: 2960800 -103.278 13.0964 -230.478 17.0123 111.364 -75.6302 -195.08 -170.698 16.9836 PRESSAVG: 2960800 -8.90236 -44.3702 -48.0608 -44.3702 30.6386 -26.2658 -48.0608 -26.2658 -5.62601 GPRESSAVG: 2960800 -10.913 -44.6152 -47.7819 -46.0784 31.721 -26.5844 -49.128 -26.8656 -5.21638 TIMING: 2960800 CPU: 9420.61, 0.00313849/step Wall: 9420.61, 0.00313849/step, 1.77778 hours remaining, 241.636719 MB of memory in use. ENERGY: 2960800 4071.1568 20532.8202 14450.3769 235.5379 -203480.2844 2657.2593 0.0000 0.0000 51764.3635 -109768.7699 297.4905 -161533.1334 -109401.4196 298.5104 -17.4923 8.3567 761503.3284 5.3701 5.1972 PRESSURE: 2961000 55.9616 -144.266 249.847 -144.266 72.6458 -172.31 249.848 -172.312 -94.5791 GPRESSURE: 2961000 76.2682 -38.5688 252.2 -90.5389 86.7876 -126.137 163.249 -142.88 -58.5816 PRESSAVG: 2961000 -19.833 1.40473 -2.41328 1.40476 12.2265 -28.9571 -2.41324 -28.9571 -12.5243 GPRESSAVG: 2961000 -18.0666 1.26185 -3.3177 1.96946 11.4075 -28.5288 -3.82615 -30.4604 -13.1257 TIMING: 2961000 CPU: 9421.24, 0.00312354/step Wall: 9421.24, 0.00312354/step, 1.76914 hours remaining, 241.636719 MB of memory in use. ENERGY: 2961000 4012.6607 20526.8560 14455.1184 250.8255 -203543.1587 2664.9983 0.0000 0.0000 51876.6292 -109756.0706 298.1357 -161632.6999 -109407.2363 298.4339 11.3428 34.8247 760321.2581 -6.7103 -6.5949 PRESSURE: 2961200 -56.7176 59.6007 105.712 59.5999 318.719 320.157 105.712 320.157 42.681 GPRESSURE: 2961200 -20.945 41.6516 48.5435 60.6893 363.983 352.475 92.8575 284.264 35.3663 PRESSAVG: 2961200 -4.04176 -30.8598 4.04031 -30.8598 2.62986 -14.9918 4.04036 -14.9918 -3.04871 GPRESSAVG: 2961200 -4.00431 -29.7704 3.04664 -32.652 2.95368 -14.235 6.77022 -16.3873 -3.88499 TIMING: 2961200 CPU: 9421.86, 0.00313061/step Wall: 9421.86, 0.00313061/step, 1.77297 hours remaining, 241.636719 MB of memory in use. ENERGY: 2961200 3980.2308 20361.0975 14492.6785 251.9059 -203635.2237 2779.6698 0.0000 0.0000 51795.1662 -109974.4749 297.6675 -161769.6411 -109615.4612 297.8237 101.5609 126.1348 759376.6007 -1.4869 -1.6452 PRESSURE: 2961400 -30.7865 -157.628 149.257 -157.629 135.559 29.0805 149.256 29.0803 143.18 GPRESSURE: 2961400 -6.07585 -107.255 99.057 -97.3708 145.715 77.533 73.9185 -24.9983 188.324 PRESSAVG: 2961400 -43.1843 -31.0983 22.4531 -31.0982 6.83675 33.0952 22.4532 33.0951 -13.4769 GPRESSAVG: 2961400 -43.0528 -32.601 23.7721 -29.9224 6.62617 32.4035 21.3551 37.7323 -13.5179 TIMING: 2961400 CPU: 9422.49, 0.00312721/step Wall: 9422.49, 0.00312721/step, 1.77087 hours remaining, 241.636719 MB of memory in use. ENERGY: 2961400 3979.7163 20325.6766 14443.7942 252.1232 -203488.1758 2464.2182 0.0000 0.0000 52216.9258 -109805.7216 300.0914 -162022.6474 -109440.0989 298.5257 82.6509 109.3211 760370.3932 -16.6081 -16.6482 PRESSURE: 2961600 223.597 -49.3189 108.187 -49.3192 -75.1688 -34.8043 108.187 -34.8035 200.437 GPRESSURE: 2961600 212.591 -29.1574 139.199 -45.3263 -15.4151 -11.3918 95.3279 -50.5078 218 PRESSAVG: 2961600 31.1926 -14.3152 13.3471 -14.3151 -14.4118 -6.0768 13.3471 -6.07687 -30.4161 GPRESSAVG: 2961600 30.6264 -14.7797 12.9642 -12.1664 -15.367 -5.80892 15.1984 -9.012 -29.2403 TIMING: 2961600 CPU: 9423.11, 0.00313589/step Wall: 9423.11, 0.00313589/step, 1.77561 hours remaining, 241.636719 MB of memory in use. ENERGY: 2961600 3930.5055 20434.8630 14473.4130 273.8356 -203404.9385 2633.0611 0.0000 0.0000 51723.2080 -109936.0523 297.2540 -161659.2604 -109572.6894 298.5146 116.2886 138.3918 759738.2649 -4.5451 -4.6603 PRESSURE: 2961800 134.22 -56.6716 -123.976 -56.6712 347.673 -99.3102 -123.976 -99.3101 -182.397 GPRESSURE: 2961800 168.968 -184.418 -98.735 -144.991 370.136 -116.05 -204.613 -147.182 -155.994 PRESSAVG: 2961800 -98.381 19.179 -14.7122 19.179 64.0309 -4.54518 -14.7122 -4.54518 -2.85824 GPRESSAVG: 2961800 -98.5598 19.4156 -16.602 17.5733 64.8269 -4.49244 -13.6975 -3.81789 -3.93276 TIMING: 2961800 CPU: 9423.74, 0.00313038/step Wall: 9423.74, 0.00313038/step, 1.77232 hours remaining, 241.636719 MB of memory in use. ENERGY: 2961800 3964.6700 20374.4382 14496.2617 247.7559 -203825.7227 2889.9068 0.0000 0.0000 52002.0749 -109850.6151 298.8566 -161852.6900 -109486.7385 298.3240 99.8317 127.7034 759881.6942 -12.4028 -12.5552 PRESSURE: 2962000 -146.989 210.902 -42.6618 210.901 51.3561 -49.838 -42.6614 -49.8383 -87.1964 GPRESSURE: 2962000 -96.3155 190.096 20.581 229.452 30.8004 -7.61826 -208.429 -126.554 -35.8051 PRESSAVG: 2962000 -17.9932 6.99412 -25.1954 6.99415 2.6811 52.7379 -25.1954 52.7379 1.007 GPRESSAVG: 2962000 -18.8216 6.23557 -22.8471 7.87681 2.60403 52.4837 -27.2826 51.4434 1.83109 TIMING: 2962000 CPU: 9424.37, 0.00313979/step Wall: 9424.37, 0.00313979/step, 1.77747 hours remaining, 241.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2962000 3899.2767 20453.0713 14494.8098 251.5249 -203501.8133 2524.0782 0.0000 0.0000 51987.7075 -109891.3448 298.7741 -161879.0524 -109525.3158 298.4248 -60.9432 -33.7734 761029.0194 -4.7683 -4.7955 PRESSURE: 2962200 86.3036 -180.11 55.3748 -180.11 145.578 5.88387 55.3743 5.88444 161.992 GPRESSURE: 2962200 90.6436 -208.523 53.9368 -120.007 236.516 -70.3259 53.9262 140.474 162.799 PRESSAVG: 2962200 -39.3079 5.16123 -62.7013 5.16131 31.4398 -3.43996 -62.7013 -3.43998 0.749875 GPRESSAVG: 2962200 -39.6556 6.40666 -62.5657 5.08185 31.0823 -3.52149 -64.3895 -1.36033 0.68866 TIMING: 2962200 CPU: 9425, 0.00314423/step Wall: 9425, 0.00314423/step, 1.77981 hours remaining, 241.636719 MB of memory in use. ENERGY: 2962200 3893.0452 20456.4245 14449.8780 242.2560 -203792.2916 2558.6792 0.0000 0.0000 52225.6300 -109966.3787 300.1414 -162192.0087 -109598.2897 298.6508 131.2912 163.3193 759458.7818 -2.3727 -2.6282 PRESSURE: 2962400 -465.831 -69.3855 -21.2677 -69.3851 158.548 -16.9754 -21.2671 -16.9751 -239.855 GPRESSURE: 2962400 -312.922 -48.4041 30.899 -129.522 128.384 -69.4209 -70.2038 -30.0258 -269.233 PRESSAVG: 2962400 -28.2642 -54.3628 -34.6901 -54.3628 22.1765 51.0421 -34.69 51.0422 20.7688 GPRESSAVG: 2962400 -27.0532 -56.4717 -33.7688 -54.5544 22.2447 51.5591 -33.8828 50.0847 19.0676 TIMING: 2962400 CPU: 9425.63, 0.00315968/step Wall: 9425.63, 0.00315968/step, 1.78838 hours remaining, 241.636719 MB of memory in use. ENERGY: 2962400 3962.7995 20436.4638 14420.7704 255.8072 -203588.4388 2474.8438 0.0000 0.0000 52218.9699 -109818.7841 300.1031 -162037.7540 -109460.5868 298.9566 -182.3794 -151.2572 760664.0476 4.8937 4.7531 PRESSURE: 2962600 -151.387 98.5468 -195.027 98.5461 -24.7733 -276.479 -195.028 -276.479 -304.87 GPRESSURE: 2962600 -163.902 59.4201 -163.488 114.204 3.20676 -239.764 -116.461 -140.498 -242.752 PRESSAVG: 2962600 -61.4965 -53.0396 -1.40765 -53.0396 23.2876 15.6038 -1.40765 15.6038 -6.35693 GPRESSAVG: 2962600 -62.4923 -49.0392 -2.98862 -52.7413 22.7437 15.2471 0.427796 15.7367 -5.21852 TIMING: 2962600 CPU: 9426.26, 0.00314984/step Wall: 9426.26, 0.00314984/step, 1.78263 hours remaining, 241.636719 MB of memory in use. ENERGY: 2962600 4025.2557 20488.0065 14484.2528 247.7449 -203827.4237 2635.4059 0.0000 0.0000 52041.2526 -109905.5052 299.0818 -161946.7578 -109548.9824 298.4431 -160.3435 -134.4822 761305.7308 -14.8553 -14.9890 PRESSURE: 2962800 -137.521 -90.4564 108.442 -90.4572 -4.35025 2.34464 108.442 2.34414 -69.4832 GPRESSURE: 2962800 -127.297 -59.2276 46.152 -29.543 24.2974 12.9317 208.967 44.9238 -22.0698 PRESSAVG: 2962800 -0.647811 -24.7687 9.04157 -24.7687 31.1675 3.89927 9.04159 3.89926 -7.39435 GPRESSAVG: 2962800 -0.814051 -26.3327 8.43672 -24.512 31.84 4.41612 9.38208 3.63221 -7.91 TIMING: 2962800 CPU: 9426.89, 0.00315086/step Wall: 9426.89, 0.00315086/step, 1.78304 hours remaining, 241.636719 MB of memory in use. ENERGY: 2962800 3973.7761 20576.3098 14433.5785 241.8916 -203663.8218 2734.3353 0.0000 0.0000 51866.6554 -109837.2750 298.0784 -161703.9304 -109490.7977 298.4062 -70.4514 -41.6896 760676.7287 7.7085 7.7053 PRESSURE: 2963000 -211.354 153.303 182.404 153.304 27.6532 -146.174 182.403 -146.174 -321.582 GPRESSURE: 2963000 -47.2842 133.647 128.69 166.9 -61.2836 -99.536 119.659 -68.8685 -320.161 PRESSAVG: 2963000 -56.9117 3.85802 -21.4188 3.85793 37.9751 34.1905 -21.4188 34.1905 -7.22642 GPRESSAVG: 2963000 -56.6265 3.87051 -20.9663 2.58503 37.3512 33.3416 -23.3538 34.0364 -7.61085 TIMING: 2963000 CPU: 9427.52, 0.00313909/step Wall: 9427.52, 0.00313909/step, 1.7762 hours remaining, 241.636719 MB of memory in use. ENERGY: 2963000 3955.2690 20454.0430 14509.6262 242.7938 -203445.6629 2442.4582 0.0000 0.0000 51881.7749 -109959.6977 298.1653 -161841.4725 -109594.9623 298.0679 -168.4278 -142.9096 759629.7386 -8.7210 -8.9621 PRESSURE: 2963200 503.2 157.196 -84.1164 157.196 39.467 148.903 -84.1156 148.903 -88.516 GPRESSURE: 2963200 476.81 55.0613 -4.84941 174.09 77.0146 153.526 -145.233 140.197 -30.0504 PRESSAVG: 2963200 50.6478 -7.62804 21.91 -7.62806 -23.7129 36.4012 21.91 36.4012 -33.0824 GPRESSAVG: 2963200 50.7855 -8.2245 21.221 -7.48085 -23.3643 37.8726 21.3089 36.2638 -33.5938 TIMING: 2963200 CPU: 9428.14, 0.00313907/step Wall: 9428.14, 0.00313907/step, 1.77601 hours remaining, 241.636719 MB of memory in use. ENERGY: 2963200 3947.3567 20364.6758 14511.2647 237.3395 -203767.5932 2595.2499 0.0000 0.0000 52205.6053 -109906.1012 300.0263 -162111.7066 -109534.5640 298.2096 151.3836 174.5915 759389.6488 -2.0491 -2.0575 PRESSURE: 2963400 -170.16 137.794 97.5219 137.793 -523.533 -151.292 97.5221 -151.292 -310.446 GPRESSURE: 2963400 -207.924 -21.3451 -8.59378 111.526 -386.71 -199.799 148.31 -72.4983 -329.752 PRESSAVG: 2963400 90.0051 -22.9831 63.7599 -22.9831 -52.297 31.7021 63.76 31.7022 0.909453 GPRESSAVG: 2963400 90.1488 -23.9519 64.0831 -22.573 -52.9495 29.4957 63.8418 32.337 1.47575 TIMING: 2963400 CPU: 9428.77, 0.00313729/step Wall: 9428.77, 0.00313729/step, 1.77483 hours remaining, 241.636719 MB of memory in use. ENERGY: 2963400 4023.4954 20454.4586 14499.5826 224.5235 -203127.6466 2114.7480 0.0000 0.0000 51965.9585 -109844.8800 298.6491 -161810.8385 -109483.4210 298.5441 -334.7131 -308.1286 761148.5689 12.8725 12.8917 PRESSURE: 2963600 -70.5723 -121.812 -150.252 -121.811 -301.45 20.6554 -150.251 20.6552 198.601 GPRESSURE: 2963600 -6.05658 -85.2842 -40.0472 -199.055 -291.629 3.56631 -94.6236 -60.351 219.675 PRESSAVG: 2963600 10.3605 -9.60943 17.3962 -9.60936 14.1502 -12.5092 17.3963 -12.5092 3.93691 GPRESSAVG: 2963600 8.8304 -7.5645 16.6719 -11.0789 14.8223 -12.6437 20.1285 -13.189 4.87068 TIMING: 2963600 CPU: 9429.4, 0.00314192/step Wall: 9429.4, 0.00314192/step, 1.77728 hours remaining, 241.636719 MB of memory in use. ENERGY: 2963600 4095.4829 20419.5687 14500.6013 253.0736 -203680.0306 2688.1487 0.0000 0.0000 52007.3298 -109715.8256 298.8868 -161723.1554 -109354.0091 298.8048 -57.8071 -26.0037 760969.8616 9.4825 9.5078 PRESSURE: 2963800 304.822 183.772 -6.88732 183.772 -550.748 -71.4573 -6.88656 -71.4587 -387.7 GPRESSURE: 2963800 266.039 150.95 -47.5658 87.8411 -473.633 -23.6015 59.6932 -69.5709 -349.382 PRESSAVG: 2963800 32.3943 -69.3661 23.1925 -69.3661 -47.6354 12.874 23.1924 12.874 -3.13406 GPRESSAVG: 2963800 33.578 -69.3975 25.4156 -71.0236 -46.7591 16.4762 20.5949 13.7292 -4.8319 TIMING: 2963800 CPU: 9430.04, 0.00317198/step Wall: 9430.04, 0.00317198/step, 1.7941 hours remaining, 241.636719 MB of memory in use. ENERGY: 2963800 3953.7846 20478.9744 14572.1399 221.6743 -203394.2492 2291.1084 0.0000 0.0000 52238.7766 -109637.7910 300.2170 -161876.5676 -109269.5665 299.1155 -211.2084 -185.6588 759996.3411 -6.1250 -6.0043 PRESSURE: 2964000 -262.469 0.93779 -31.5355 0.937514 -334.964 -152.474 -31.5346 -152.474 -130.111 GPRESSURE: 2964000 -274.514 -23.4642 -34.3306 22.7889 -313.659 -76.1879 -4.13755 -173.233 -74.6295 PRESSAVG: 2964000 65.4453 -28.2907 1.63865 -28.2907 -15.5567 -49.0643 1.6387 -49.0642 2.02674 GPRESSAVG: 2964000 65.8289 -29.568 0.360839 -26.8771 -16.6867 -51.0236 3.84294 -49.2536 2.48058 TIMING: 2964000 CPU: 9430.67, 0.00316001/step Wall: 9430.67, 0.00316001/step, 1.78716 hours remaining, 241.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2964000 3958.7755 20429.5822 14477.1756 257.6502 -203154.7454 2251.5261 0.0000 0.0000 52261.9285 -109518.1072 300.3500 -161780.0358 -109153.1977 298.9172 -242.5146 -220.9343 760465.8976 17.3051 17.2076 PRESSURE: 2964200 222.67 -3.23511 -411.897 -3.23556 122.097 183.142 -411.897 183.142 -139.526 GPRESSURE: 2964200 290.833 -119.444 -382.515 71.4724 134.821 221.526 -295.171 -29.8087 -138.931 PRESSAVG: 2964200 16.7228 8.33101 -17.1894 8.33099 -1.74291 30.6986 -17.1895 30.6986 13.872 GPRESSAVG: 2964200 15.2545 7.02204 -18.1273 8.4393 0.156191 31.1784 -18.7469 29.8635 13.0549 TIMING: 2964200 CPU: 9431.3, 0.00316257/step Wall: 9431.3, 0.00316257/step, 1.78843 hours remaining, 241.636719 MB of memory in use. ENERGY: 2964200 4065.6776 20373.0914 14562.9131 255.2145 -203715.2062 2620.4040 0.0000 0.0000 52275.4532 -109562.4524 300.4277 -161837.9056 -109204.7485 299.7451 68.4137 95.5741 760278.4145 9.6173 9.4885 LDB: ============= START OF LOAD BALANCING ============== 9443.75 LDB: ============== END OF LOAD BALANCING =============== 9443.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9443.75 LDB: ============= START OF LOAD BALANCING ============== 9444.07 LDB: Largest compute 7075 load 0.034067 is 17.4% of average load 0.195279 LDB: Average compute 0.004372 is 2.2% of average load 0.195279 LDB: TIME 9444.07 LOAD: AVG 0.195279 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.824 MB LDB: TIME 9444.07 LOAD: AVG 0.195279 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.824 MB LDB: TIME 9444.07 LOAD: AVG 0.195279 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.824 MB LDB: ============== END OF LOAD BALANCING =============== 9444.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9444.08 PRESSURE: 2964400 184.442 -32.1842 -233.449 -32.1848 126.906 227.79 -233.448 227.789 -44.0783 GPRESSURE: 2964400 172.192 31.8913 -121.745 -70.3375 180.877 138.21 -177.97 287.897 11.9105 PRESSAVG: 2964400 8.97082 -2.24948 26.9192 -2.24954 10.0164 -4.24241 26.9192 -4.24235 -10.0684 GPRESSAVG: 2964400 11.2851 0.591128 26.4458 -1.27986 7.81649 -4.50973 28.1235 -5.12067 -9.49471 TIMING: 2964400 CPU: 9431.95, 0.00322886/step Wall: 9431.95, 0.00322886/step, 1.82574 hours remaining, 240.539062 MB of memory in use. ENERGY: 2964400 3996.1781 20612.2691 14418.6592 248.0115 -203666.7024 2789.0399 0.0000 0.0000 52054.3532 -109548.1914 299.1571 -161602.5446 -109195.2374 299.2285 89.0896 121.6595 760467.5640 2.9729 3.2023 PRESSURE: 2964600 346.369 76.0741 188.374 76.0751 29.4674 154.596 188.375 154.596 -56.2873 GPRESSURE: 2964600 338.277 39.6954 111.12 56.8632 -11.5416 211.014 148.6 40.0498 67.0218 PRESSAVG: 2964600 10.8781 -20.4967 -21.1267 -20.4967 13.823 18.2179 -21.1267 18.2179 4.37235 GPRESSAVG: 2964600 9.3658 -22.2952 -20.1314 -17.7413 14.0108 18.6247 -22.154 18.2016 5.31158 TIMING: 2964600 CPU: 9432.58, 0.00316359/step Wall: 9432.58, 0.00316359/step, 1.78866 hours remaining, 240.539062 MB of memory in use. ENERGY: 2964600 4046.4851 20613.0889 14506.3454 260.6960 -203442.2239 2559.2216 0.0000 0.0000 51957.4803 -109498.9066 298.6004 -161456.3869 -109135.4154 299.0226 106.5164 131.2524 760219.6621 9.6912 9.5627 PRESSURE: 2964800 190.555 -80.7315 16.6542 -80.7306 -80.3429 168.897 16.6535 168.897 161.809 GPRESSURE: 2964800 315.675 -72.5703 80.5142 -21.7525 -63.0865 238.425 76.0471 165.96 104.822 PRESSAVG: 2964800 3.42794 -27.1197 0.577538 -27.1198 2.26546 -37.8848 0.577469 -37.8848 -6.38421 GPRESSAVG: 2964800 4.0268 -25.893 0.0189485 -27.2323 2.89213 -37.1722 1.77178 -36.5383 -7.58522 TIMING: 2964800 CPU: 9433.21, 0.00315495/step Wall: 9433.21, 0.00315494/step, 1.7836 hours remaining, 240.539062 MB of memory in use. ENERGY: 2964800 4047.2094 20526.7614 14432.3123 240.9776 -203137.2179 2189.3908 0.0000 0.0000 52014.9996 -109685.5668 298.9309 -161700.5664 -109327.0624 299.3594 90.6737 119.1367 759535.0144 -0.2303 -0.2221 PRESSURE: 2965000 117.03 -22.871 -23.4469 -22.8717 249.753 148.665 -23.4473 148.665 123.192 GPRESSURE: 2965000 128.63 -44.5495 -110.519 -79.0665 263.381 251.272 26.375 91.6915 171.835 PRESSAVG: 2965000 31.9157 -30.224 -33.034 -30.2241 6.32308 -30.7864 -33.034 -30.7865 12.2137 GPRESSAVG: 2965000 32.1924 -30.8302 -32.4735 -32.0521 6.04135 -32.0821 -34.3585 -31.8258 12.5181 TIMING: 2965000 CPU: 9433.84, 0.00315184/step Wall: 9433.84, 0.00315184/step, 1.78167 hours remaining, 240.539062 MB of memory in use. ENERGY: 2965000 3924.8020 20555.0639 14397.8945 236.1121 -203357.4033 2515.8153 0.0000 0.0000 52167.6795 -109560.0360 299.8084 -161727.7154 -109198.2595 299.3113 163.3251 187.9486 759281.4318 16.8175 16.9173 PRESSURE: 2965200 -3.55336 -86.8822 -66.1833 -86.8826 -247.437 52.2686 -66.1837 52.2689 -76.2199 GPRESSURE: 2965200 2.86942 -165.598 -137.144 -127.426 -177.673 15.9511 33.7622 -20.5569 -66.6311 PRESSAVG: 2965200 -35.365 -22.1561 -6.42567 -22.1562 49.6257 7.96345 -6.42568 7.96346 6.9883 GPRESSAVG: 2965200 -35.471 -20.7171 -7.1518 -24.174 49.5812 9.13654 -4.32456 9.72312 7.09386 TIMING: 2965200 CPU: 9434.47, 0.00314449/step Wall: 9434.47, 0.00314449/step, 1.77734 hours remaining, 240.539062 MB of memory in use. ENERGY: 2965200 3994.0349 20469.8980 14476.6777 237.4758 -203699.6039 2674.3375 0.0000 0.0000 52131.6976 -109715.4823 299.6016 -161847.1799 -109357.6065 298.8875 -109.0702 -80.4784 758787.9549 7.0830 7.0680 PRESSURE: 2965400 97.5077 -8.04516 -22.2686 -8.04512 393.142 172.971 -22.2676 172.971 -394.536 GPRESSURE: 2965400 193.34 -48.8465 0.692851 -11.1686 396.473 169.89 -24.9425 112.403 -407.95 PRESSAVG: 2965400 -39.3298 3.46432 28.4139 3.46428 40.0402 -37.0672 28.4139 -37.0672 2.1918 GPRESSAVG: 2965400 -39.0079 1.02499 26.507 5.58446 40.7769 -37.5379 27.2459 -36.9021 0.418963 TIMING: 2965400 CPU: 9435.1, 0.00314841/step Wall: 9435.1, 0.0031484/step, 1.77937 hours remaining, 240.539062 MB of memory in use. ENERGY: 2965400 3992.7771 20550.8501 14409.7652 254.9314 -203353.7154 2504.6849 0.0000 0.0000 51739.0027 -109901.7040 297.3448 -161640.7067 -109533.3971 298.8919 32.0379 60.6209 759978.4685 0.9674 0.7293 PRESSURE: 2965600 50.9308 -114.67 -159.333 -114.669 -147.801 -97.1937 -159.332 -97.1934 279.131 GPRESSURE: 2965600 88.8936 -114.648 -157.555 -137.367 -158.176 -90.3365 -52.7407 -68.3378 327.499 PRESSAVG: 2965600 -22.8873 -31.5117 -17.3017 -31.5117 52.2028 68.5287 -17.3017 68.5287 2.57238 GPRESSAVG: 2965600 -23.063 -31.1768 -16.8418 -32.912 50.7975 67.6257 -17.7641 66.5704 3.62331 TIMING: 2965600 CPU: 9435.73, 0.00313765/step Wall: 9435.73, 0.00313765/step, 1.77312 hours remaining, 240.539062 MB of memory in use. ENERGY: 2965600 3944.7241 20644.3544 14471.5555 264.8641 -203554.3363 2418.3259 0.0000 0.0000 51984.6972 -109825.8151 298.7568 -161810.5124 -109464.5603 297.9870 60.7536 86.0724 759820.7545 10.6293 10.4526 PRESSURE: 2965800 -309.194 -38.146 -202.889 -38.1467 164.959 183.646 -202.888 183.646 -51.5226 GPRESSURE: 2965800 -257.413 -44.5774 -171.801 39.9492 148.159 128.967 -136.52 246.047 2.80625 PRESSAVG: 2965800 -2.79526 0.907051 -79.0062 0.907093 45.2613 -43.6224 -79.0062 -43.6224 -10.397 GPRESSAVG: 2965800 -3.207 1.13327 -76.9532 2.03449 44.9001 -44.1362 -78.1006 -42.7825 -10.398 TIMING: 2965800 CPU: 9436.35, 0.00313555/step Wall: 9436.35, 0.00313555/step, 1.77176 hours remaining, 240.539062 MB of memory in use. ENERGY: 2965800 3921.9698 20590.3345 14528.9891 255.1801 -203580.4226 2652.5695 0.0000 0.0000 51896.5478 -109734.8317 298.2502 -161631.3795 -109371.9677 298.4587 -65.2526 -35.4825 760272.7891 10.6897 10.4317 PRESSURE: 2966000 334.088 -83.4059 -41.595 -83.4051 235.206 8.72336 -41.5949 8.7235 -7.81603 GPRESSURE: 2966000 286.64 -22.1742 -96.6252 -65.8084 341.136 21.2018 -34.8596 -42.3666 27.2118 PRESSAVG: 2966000 -7.91605 -4.65083 -34.366 -4.65084 -15.9025 -16.9729 -34.366 -16.973 11.4295 GPRESSAVG: 2966000 -9.84222 -5.5287 -36.1293 -4.3354 -14.8764 -17.4777 -34.802 -16.7758 12.4563 TIMING: 2966000 CPU: 9436.98, 0.00313221/step Wall: 9436.98, 0.00313221/step, 1.7697 hours remaining, 240.539062 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: 2966000 3964.6942 20441.8625 14420.0915 251.0209 -203375.8311 2485.6198 0.0000 0.0000 52050.7583 -109761.7840 299.1364 -161812.5423 -109394.5546 298.5175 187.1593 218.3292 759034.8799 -4.1297 -4.0875 PRESSURE: 2966200 -591.904 44.9033 -315.241 44.9041 72.1641 181.104 -315.242 181.104 105.596 GPRESSURE: 2966200 -481.762 -99.3081 -220.183 -32.3259 46.4674 147.084 -133.895 86.2321 101.144 PRESSAVG: 2966200 15.6711 15.7101 -37.159 15.7101 40.2063 -10.5972 -37.159 -10.5971 -13.4392 GPRESSAVG: 2966200 16.7329 14.2445 -35.3888 15.434 40.7452 -7.97865 -37.5702 -12.758 -14.9379 TIMING: 2966200 CPU: 9437.61, 0.00313322/step Wall: 9437.61, 0.00313322/step, 1.77009 hours remaining, 240.539062 MB of memory in use. ENERGY: 2966200 4020.7768 20526.2579 14452.4206 233.9920 -202994.5293 2167.7209 0.0000 0.0000 51813.0146 -109780.3464 297.7701 -161593.3611 -109427.8168 298.6632 -138.0479 -111.3833 760219.2338 14.1461 14.1801 PRESSURE: 2966400 -377.887 -213.458 283.322 -213.458 -146.42 28.2761 283.321 28.2765 -186.376 GPRESSURE: 2966400 -336.687 -97.9021 295.667 -124.003 -63.6062 79.1102 199.362 59.006 -211.952 PRESSAVG: 2966400 39.1632 43.7433 -11.9932 43.7433 -17.898 -49.1093 -11.9932 -49.1093 24.6811 GPRESSAVG: 2966400 38.8663 45.2499 -12.2158 41.7619 -18.2049 -50.3365 -15.0844 -47.4624 25.5601 TIMING: 2966400 CPU: 9438.24, 0.00314656/step Wall: 9438.24, 0.00314656/step, 1.77746 hours remaining, 240.539062 MB of memory in use. ENERGY: 2966400 3874.2767 20587.0711 14440.8763 244.1951 -203606.0212 2724.8638 0.0000 0.0000 51887.6639 -109847.0744 298.1991 -161734.7383 -109485.3817 298.3242 -236.8946 -204.0816 760181.1039 15.3154 15.4072 PRESSURE: 2966600 -151.353 -99.9195 -137.671 -99.9199 4.99668 26.4236 -137.671 26.4235 224.633 GPRESSURE: 2966600 -86.9267 -91.8839 -227.646 -38.4986 -27.4594 112.276 -142.623 -72.4765 286.832 PRESSAVG: 2966600 13.5562 36.8731 15.7325 36.8731 14.3492 -87.8538 15.7324 -87.8538 -2.01446 GPRESSAVG: 2966600 14.2464 37.2021 14.9585 38.1422 13.8449 -86.8821 18.1909 -88.2752 -1.41308 TIMING: 2966600 CPU: 9438.87, 0.0031533/step Wall: 9438.87, 0.0031533/step, 1.78109 hours remaining, 240.539062 MB of memory in use. ENERGY: 2966600 3918.7228 20445.8608 14516.7465 240.3540 -203953.7718 2955.6733 0.0000 0.0000 52004.6618 -109871.7525 298.8715 -161876.4143 -109510.5646 298.5576 26.0921 57.4819 760934.4069 8.6303 8.8928 PRESSURE: 2966800 11.1309 -13.9043 -49.6535 -13.9043 108.347 -397.018 -49.6535 -397.019 -16.5437 GPRESSURE: 2966800 29.77 -118.8 -100.78 31.0905 228.072 -473.936 -18.2944 -295.767 -84.4654 PRESSAVG: 2966800 29.7872 42.4732 -39.5918 42.4732 -17.3171 7.04264 -39.5918 7.04265 5.35643 GPRESSAVG: 2966800 29.1777 41.4747 -39.544 40.7423 -16.2444 6.07127 -39.5342 7.74607 4.98844 TIMING: 2966800 CPU: 9439.5, 0.00315324/step Wall: 9439.5, 0.00315324/step, 1.78088 hours remaining, 240.539062 MB of memory in use. ENERGY: 2966800 3949.0764 20324.9432 14435.8435 251.5767 -203636.1463 2862.0370 0.0000 0.0000 52170.9896 -109641.6799 299.8274 -161812.6694 -109278.1297 298.3597 34.3114 57.7921 761763.6840 5.9422 5.9739 PRESSURE: 2967000 78.8395 13.3642 -79.9242 13.364 116.12 -149.066 -79.9238 -149.066 -50.8993 GPRESSURE: 2967000 124.529 12.0742 -72.6835 49.318 87.9952 -101.727 -118.222 -210.53 9.82845 PRESSAVG: 2967000 -56.4747 34.3198 -29.2219 34.3198 47.2589 -68.1672 -29.2219 -68.1671 3.48724 GPRESSAVG: 2967000 -55.9744 36.3112 -29.0381 36.2995 46.7564 -67.3594 -27.9229 -69.0531 3.19166 TIMING: 2967000 CPU: 9440.12, 0.00313732/step Wall: 9440.12, 0.00313732/step, 1.77171 hours remaining, 240.539062 MB of memory in use. ENERGY: 2967000 3971.6254 20367.7167 14496.4107 251.3160 -203316.6986 2623.3804 0.0000 0.0000 52007.6727 -109598.5768 298.8888 -161606.2495 -109237.7187 298.5487 48.0199 74.1174 762323.1291 -1.9095 -2.0088 PRESSURE: 2967200 -120.139 263.555 -203.064 263.555 126.853 87.0209 -203.064 87.0207 -149.742 GPRESSURE: 2967200 -145.607 228.432 -199.465 230.939 201.696 -5.5835 -160.758 33.6764 -118.515 PRESSAVG: 2967200 -80.9658 14.2686 -5.05367 14.2685 81.3983 -47.9563 -5.05366 -47.9564 4.00867 GPRESSAVG: 2967200 -80.6964 14.3376 -4.91182 13.876 81.6786 -47.3105 -6.88625 -48.6106 3.48702 TIMING: 2967200 CPU: 9440.75, 0.00315187/step Wall: 9440.75, 0.00315187/step, 1.77976 hours remaining, 240.539062 MB of memory in use. ENERGY: 2967200 4003.5429 20598.2047 14418.5914 252.4519 -202930.5680 2271.0810 0.0000 0.0000 51935.6401 -109451.0560 298.4748 -161386.6961 -109086.2370 298.9379 -47.6763 -20.8087 761217.2295 1.4804 1.4897 PRESSURE: 2967400 -259.47 -126.853 -85.9206 -126.853 -209.657 -283.081 -85.9208 -283.08 -142.036 GPRESSURE: 2967400 -123.765 -152.59 -125.615 -145.023 -256.461 -242.203 -166.266 -253.869 -148.126 PRESSAVG: 2967400 12.0965 -29.329 -28.6017 -29.329 -19.893 -48.6855 -28.6017 -48.6855 -12.9783 GPRESSAVG: 2967400 12.7172 -31.0438 -28.1433 -30.4687 -21.0872 -50.8572 -27.3853 -47.0592 -12.1724 TIMING: 2967400 CPU: 9441.39, 0.00315997/step Wall: 9441.39, 0.00315997/step, 1.78416 hours remaining, 240.539062 MB of memory in use. ENERGY: 2967400 3957.9083 20479.9319 14448.9018 244.6223 -203297.1236 2641.3786 0.0000 0.0000 52261.4673 -109262.9134 300.3474 -161524.3807 -108900.3501 299.7598 -203.7208 -176.1175 761880.5212 -6.9249 -6.8475 PRESSURE: 2967600 25.1139 -101.615 -112.013 -101.615 -20.1694 -139.451 -112.012 -139.452 74.2197 GPRESSURE: 2967600 9.29853 -5.56155 -155.647 -167.609 77.7362 -170.9 -67.3197 -223.661 72.1408 PRESSAVG: 2967600 34.2568 -63.8797 -14.1945 -63.8797 1.57801 -52.4741 -14.1946 -52.4741 9.40089 GPRESSAVG: 2967600 32.5764 -63.5202 -15.3038 -63.1905 2.94834 -51.916 -13.6395 -51.5727 9.54084 TIMING: 2967600 CPU: 9442.02, 0.0031544/step Wall: 9442.02, 0.0031544/step, 1.78083 hours remaining, 240.539062 MB of memory in use. ENERGY: 2967600 4035.1617 20374.3913 14468.1917 237.4669 -203304.6024 2696.5289 0.0000 0.0000 52368.2692 -109124.5927 300.9612 -161492.8620 -108765.3831 299.7547 26.3881 53.0585 761207.0136 15.0786 15.0219 PRESSURE: 2967800 23.6008 176.367 -72.952 176.368 203.851 391.578 -72.9518 391.579 40.3498 GPRESSURE: 2967800 26.3604 120.773 15.686 223.233 306.029 357.761 -137.905 286.444 34.2388 PRESSAVG: 2967800 -20.161 -6.34168 -59.9734 -6.34172 -31.7444 -43.6412 -59.9734 -43.6411 15.9265 GPRESSAVG: 2967800 -20.1943 -5.57004 -60.5775 -5.71234 -31.2338 -43.1955 -59.6803 -47.7644 15.3126 TIMING: 2967800 CPU: 9442.64, 0.00313326/step Wall: 9442.64, 0.00313326/step, 1.76872 hours remaining, 240.539062 MB of memory in use. ENERGY: 2967800 3992.4661 20536.0395 14464.1867 237.3907 -203107.3696 2579.8435 0.0000 0.0000 51967.5174 -109329.9256 298.6580 -161297.4430 -108976.3555 299.5545 89.2672 122.2095 762025.9152 -11.9930 -12.0385 PRESSURE: 2968000 323.957 27.1583 213.236 27.1581 382.764 -237.901 213.235 -237.901 -193.042 GPRESSURE: 2968000 313.731 -153.405 231.969 161.331 386.787 -260.823 194.662 -207.666 -109.833 PRESSAVG: 2968000 -34.8057 4.3654 -29.979 4.36544 42.6023 -59.3737 -29.979 -59.3737 -5.03175 GPRESSAVG: 2968000 -34.2989 1.23558 -26.5809 5.98644 41.2334 -59.8373 -31.6876 -57.4877 -3.73025 TIMING: 2968000 CPU: 9443.27, 0.00315289/step Wall: 9443.27, 0.00315289/step, 1.77963 hours remaining, 240.539062 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: 2968000 3963.9116 20470.6436 14440.1420 251.5769 -203315.5732 2739.1115 0.0000 0.0000 52003.2226 -109446.9649 298.8632 -161450.1875 -109087.2944 299.0095 171.2262 196.8953 760610.7739 0.9216 1.0681 PRESSURE: 2968200 -224.263 -282.662 -59.4295 -282.663 140.268 -124.931 -59.4292 -124.932 187.528 GPRESSURE: 2968200 -241.834 -200.196 -150.013 -253.069 213.016 -168.287 35.4487 -83.7819 203.897 PRESSAVG: 2968200 13.7484 20.0987 -56.8183 20.0986 -31.2719 -25.4204 -56.8182 -25.4204 5.74155 GPRESSAVG: 2968200 13.9751 22.7594 -59.1874 18.1319 -31.5242 -26.1919 -56.7005 -25.0579 5.63232 TIMING: 2968200 CPU: 9443.91, 0.00315601/step Wall: 9443.91, 0.00315601/step, 1.78122 hours remaining, 240.539062 MB of memory in use. ENERGY: 2968200 4002.9444 20547.4974 14508.9389 265.8628 -203149.9868 2421.2266 0.0000 0.0000 52098.6185 -109304.8982 299.4115 -161403.5167 -108948.5054 299.2922 34.5112 58.3596 761417.2118 -3.9273 -3.9723 LDB: ============= START OF LOAD BALANCING ============== 9456.36 LDB: ============== END OF LOAD BALANCING =============== 9456.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.36 LDB: ============= START OF LOAD BALANCING ============== 9456.67 LDB: Largest compute 7064 load 0.034321 is 17.6% of average load 0.195339 LDB: Average compute 0.004347 is 2.2% of average load 0.195339 LDB: TIME 9456.68 LOAD: AVG 0.195339 MAX 0.217197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.25 MB LDB: TIME 9456.68 LOAD: AVG 0.195339 MAX 0.217197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: TIME 9456.68 LOAD: AVG 0.195339 MAX 0.217197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: ============== END OF LOAD BALANCING =============== 9456.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.69 PRESSURE: 2968400 -187.444 173.173 -171.428 173.173 -37.6726 66.4394 -171.429 66.4386 -274.196 GPRESSURE: 2968400 -188.381 89.2877 -173.264 199.251 30.6796 47.8279 -149.573 60.2123 -254.749 PRESSAVG: 2968400 -62.9101 -3.91884 -57.4354 -3.91876 48.448 -73.2193 -57.4354 -73.2193 -35.0662 GPRESSAVG: 2968400 -63.7065 -4.35396 -58.251 -4.73876 49.0431 -71.2983 -56.4551 -72.6795 -35.1161 TIMING: 2968400 CPU: 9444.55, 0.0032201/step Wall: 9444.55, 0.0032201/step, 1.81721 hours remaining, 241.890625 MB of memory in use. ENERGY: 2968400 4045.8495 20526.7032 14470.5797 247.2386 -203359.3621 2598.7470 0.0000 0.0000 52158.2894 -109311.9546 299.7544 -161470.2441 -108948.6401 299.6319 -166.4375 -137.4834 762698.8446 -16.5095 -16.5932 PRESSURE: 2968600 62.9939 29.4005 232.105 29.4003 -225.598 -127.392 232.106 -127.39 -94.8893 GPRESSURE: 2968600 149.118 -52.6617 164.66 2.56424 -123.665 -123.27 212.732 -210.521 -194.136 PRESSAVG: 2968600 -91.3025 -8.47721 -14.9037 -8.47717 42.2862 -29.6519 -14.9037 -29.6519 1.63991 GPRESSAVG: 2968600 -90.7821 -6.7475 -14.4051 -9.41892 42.6659 -30.3159 -15.9821 -29.3025 1.14625 TIMING: 2968600 CPU: 9445.18, 0.00315491/step Wall: 9445.18, 0.00315491/step, 1.78024 hours remaining, 242.093750 MB of memory in use. ENERGY: 2968600 4039.6981 20565.8343 14486.3144 224.0701 -203461.5160 2707.2336 0.0000 0.0000 52154.3552 -109284.0104 299.7318 -161438.3656 -108927.6852 299.8795 -85.8310 -56.2276 762034.5434 -15.7921 -15.6566 PRESSURE: 2968800 -179.874 59.1275 -31.6615 59.1279 138.64 -34.8526 -31.6613 -34.8529 426.031 GPRESSURE: 2968800 -162.575 109.921 -40.2237 164.371 130.261 -81.5202 -3.7355 -82.7012 494.462 PRESSAVG: 2968800 -7.17806 -26.6386 35.5155 -26.6386 27.2248 -0.0197106 35.5155 -0.0198121 6.60467 GPRESSAVG: 2968800 -6.0124 -27.3376 35.6012 -23.8622 26.864 -0.255941 37.2278 -1.35539 5.8445 TIMING: 2968800 CPU: 9445.81, 0.00313539/step Wall: 9445.81, 0.00313539/step, 1.76906 hours remaining, 242.093750 MB of memory in use. ENERGY: 2968800 4030.5303 20461.1845 14465.7342 243.3085 -203602.0181 2803.0924 0.0000 0.0000 52128.0932 -109470.0749 299.5809 -161598.1681 -109103.3175 299.4578 128.2656 154.0495 762765.6314 8.8838 8.8987 PRESSURE: 2969000 -127.776 76.6273 245.241 76.6276 -596.163 -46.8839 245.241 -46.8841 -280.09 GPRESSURE: 2969000 -57.7798 -28.1192 174.507 54.2093 -646.153 -114.617 186.052 -64.6915 -213.002 PRESSAVG: 2969000 -2.82993 29.1731 39.2881 29.1731 12.2536 20.674 39.2881 20.6741 -19.8416 GPRESSAVG: 2969000 -3.55386 28.6367 38.8667 29.464 12.1657 20.8707 38.3874 22.4459 -18.2233 TIMING: 2969000 CPU: 9446.43, 0.00313267/step Wall: 9446.43, 0.00313267/step, 1.76735 hours remaining, 242.093750 MB of memory in use. ENERGY: 2969000 4063.5968 20678.0399 14476.4361 256.5306 -203505.9677 2662.8297 0.0000 0.0000 51932.0054 -109436.5291 298.4539 -161368.5345 -109084.0429 299.2256 -334.6762 -305.6447 761156.9906 -3.4726 -3.2038 PRESSURE: 2969200 -208.125 -254.758 -10.3562 -254.757 -50.5627 154.379 -10.3561 154.38 -68.003 GPRESSURE: 2969200 -242.49 -211.724 31.5281 -222.933 42.9747 121.873 2.70587 168.476 -54.0552 PRESSAVG: 2969200 -10.4808 37.1895 -4.37899 37.1895 28.8721 -28.9974 -4.37899 -28.9973 -6.77331 GPRESSAVG: 2969200 -9.72825 37.6364 -3.91205 36.4856 28.7067 -28.4702 -3.97983 -28.7722 -7.39362 TIMING: 2969200 CPU: 9447.06, 0.00314797/step Wall: 9447.06, 0.00314797/step, 1.7758 hours remaining, 242.093750 MB of memory in use. ENERGY: 2969200 3951.2840 20583.2050 14459.3301 252.3047 -202978.3776 2234.8106 0.0000 0.0000 52019.1587 -109478.2844 298.9548 -161497.4431 -109106.1924 299.5001 -108.8968 -84.5234 761088.7014 3.8727 3.8616 PRESSURE: 2969400 -14.3144 -76.6201 220.579 -76.6203 -152.219 -8.86085 220.578 -8.85974 -148.697 GPRESSURE: 2969400 56.379 -98.336 169.059 -108.397 -72.0158 -73.6844 222.869 -72.1533 -216.678 PRESSAVG: 2969400 -65.3829 2.0183 5.58035 2.01828 75.2459 5.97519 5.58038 5.97518 13.9695 GPRESSAVG: 2969400 -65.1787 2.1409 3.9142 0.575926 74.8552 5.40844 6.28204 6.57665 14.0288 TIMING: 2969400 CPU: 9447.7, 0.00316587/step Wall: 9447.7, 0.00316587/step, 1.78573 hours remaining, 242.093750 MB of memory in use. ENERGY: 2969400 4030.5947 20452.0336 14470.3893 244.0031 -203524.1497 2607.8920 0.0000 0.0000 52226.0735 -109493.1636 300.1440 -161719.2371 -109128.9475 299.1255 -105.0766 -77.4383 760664.4324 7.9442 7.9018 PRESSURE: 2969600 139.151 177.142 -104.536 177.142 -58.2081 -104.701 -104.536 -104.702 -104.03 GPRESSURE: 2969600 69.2596 144.368 -90.1043 140.658 4.41042 19.2576 -31.1485 -176.031 -4.23409 PRESSAVG: 2969600 -50.1719 14.9944 -0.501805 14.9944 31.104 -4.45165 -0.501754 -4.45166 -19.4064 GPRESSAVG: 2969600 -50.4422 17.0799 -0.051238 13.0602 31.7081 -4.0287 -2.77862 -6.21778 -19.7038 TIMING: 2969600 CPU: 9448.33, 0.00315167/step Wall: 9448.33, 0.00315167/step, 1.77754 hours remaining, 242.093750 MB of memory in use. ENERGY: 2969600 3922.7142 20507.9618 14512.1260 236.5488 -203703.2149 2919.7952 0.0000 0.0000 52272.9209 -109331.1480 300.4132 -161604.0689 -108969.7940 298.9681 -7.6959 23.1453 762099.1765 -12.8248 -12.8126 PRESSURE: 2969800 147.384 -7.95234 -89.229 -7.95329 -131.008 -160.413 -89.2293 -160.413 37.62 GPRESSURE: 2969800 202.404 -104.505 -54.3102 71.9141 -53.5795 -211.139 -157.734 -168.631 -13.0268 PRESSAVG: 2969800 0.64565 62.1247 -10.0776 62.1247 -10.9004 -42.6587 -10.0776 -42.6588 16.211 GPRESSAVG: 2969800 0.188914 62.2316 -9.18053 61.2855 -11.6542 -44.0976 -8.02807 -44.0551 17.3278 TIMING: 2969800 CPU: 9448.95, 0.00313508/step Wall: 9448.95, 0.00313508/step, 1.76801 hours remaining, 242.093750 MB of memory in use. ENERGY: 2969800 3986.5878 20632.2796 14454.6906 243.8629 -203319.2806 2719.9477 0.0000 0.0000 51981.2821 -109300.6299 298.7371 -161281.9120 -108938.7875 299.6150 17.9988 45.2658 761499.0679 1.9854 1.9542 PRESSURE: 2970000 -307.29 -34.1534 327.975 -34.153 3.59882 -87.7994 327.976 -87.7988 -44.1556 GPRESSURE: 2970000 -242.771 64.8763 254.148 -20.0863 -0.172791 -17.2397 212.058 36.4328 -11.3696 PRESSAVG: 2970000 -9.78695 -7.16764 -14.8856 -7.16762 26.1583 -50.2799 -14.8856 -50.2799 -8.13532 GPRESSAVG: 2970000 -10.3861 -8.06513 -14.1772 -4.45908 26.4396 -49.5041 -17.4386 -46.6313 -7.76696 TIMING: 2970000 CPU: 9449.59, 0.0031551/step Wall: 9449.59, 0.0031551/step, 1.77913 hours remaining, 242.093750 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: 2970000 3979.8730 20459.5149 14472.8031 251.6515 -203186.7896 2574.8473 0.0000 0.0000 52349.8169 -109098.2828 300.8551 -161448.0997 -108731.0869 299.6165 -115.9490 -84.7712 762302.5268 2.7453 2.7622 PRESSURE: 2970200 -150.18 284.222 -114.681 284.222 -307.864 -68.3694 -114.682 -68.3689 165.416 GPRESSURE: 2970200 29.869 268.105 -59.123 303.678 -380.828 -72.395 -68.2196 -108.409 141.327 PRESSAVG: 2970200 17.1193 -32.808 -11.1892 -32.808 -34.5458 6.78334 -11.1892 6.78339 -2.28661 GPRESSAVG: 2970200 17.4877 -34.7976 -12.6241 -31.487 -34.1088 7.39301 -12.3397 6.25707 -3.17635 TIMING: 2970200 CPU: 9450.22, 0.00316818/step Wall: 9450.22, 0.00316818/step, 1.78632 hours remaining, 242.093750 MB of memory in use. ENERGY: 2970200 4037.6496 20504.6830 14436.8560 257.4640 -203143.4130 2420.2707 0.0000 0.0000 52335.1916 -109151.2981 300.7711 -161486.4898 -108778.8085 300.0124 -97.5427 -69.8772 762768.2399 -6.5710 -6.5991 PRESSURE: 2970400 -31.4835 -77.426 11.5212 -77.4263 124.992 -213.205 11.521 -213.205 645.56 GPRESSURE: 2970400 8.32357 -65.1451 -21.7289 -193.866 222.288 -325.464 54.2712 -109.672 595.986 PRESSAVG: 2970400 41.7416 9.16788 27.3489 9.16787 17.5717 6.69718 27.3488 6.69726 -8.22839 GPRESSAVG: 2970400 43.2866 10.1132 26.638 7.12374 16.8653 5.05358 30.3721 6.87999 -8.87347 TIMING: 2970400 CPU: 9450.85, 0.00313491/step Wall: 9450.85, 0.00313491/step, 1.76739 hours remaining, 242.093750 MB of memory in use. ENERGY: 2970400 3946.8114 20651.1673 14432.4318 260.1843 -203271.5678 2776.1932 0.0000 0.0000 52192.5597 -109012.2201 299.9514 -161204.7798 -108641.1513 299.7828 246.3562 275.5325 762143.5253 17.0283 17.0928 PRESSURE: 2970600 -9.55284 88.6473 -78.2844 88.6467 -115.963 13.7384 -78.2847 13.7395 -148.404 GPRESSURE: 2970600 87.8763 25.4264 -42.1529 180.297 -122.972 85.9912 -149.156 33.0291 -138.95 PRESSAVG: 2970600 37.1298 10.4439 -36.687 10.4439 -32.172 -25.6428 -36.6871 -25.6428 31.4787 GPRESSAVG: 2970600 37.7217 8.64295 -35.7947 10.3454 -32.8325 -24.4355 -37.2443 -25.1416 32.0009 TIMING: 2970600 CPU: 9451.47, 0.00314222/step Wall: 9451.47, 0.00314222/step, 1.77134 hours remaining, 242.093750 MB of memory in use. ENERGY: 2970600 3957.4112 20499.9488 14509.8289 268.8420 -203286.8013 2391.8926 0.0000 0.0000 52469.7375 -109189.1403 301.5443 -161658.8777 -108833.0061 300.6400 -91.3067 -58.0154 761262.5689 12.1455 12.2967 PRESSURE: 2970800 -215.755 -206.448 201.217 -206.449 172.398 -117.113 201.217 -117.112 158.122 GPRESSURE: 2970800 -179.454 -189.881 224.357 -274.998 219.582 -140.522 119.619 -121.071 149.593 PRESSAVG: 2970800 22.0708 39.7747 11.6265 39.7747 -10.129 11.3572 11.6266 11.3572 -8.45633 GPRESSAVG: 2970800 21.4121 41.5893 13.3969 39.91 -9.76459 10.1869 9.55967 10.4948 -8.5172 TIMING: 2970800 CPU: 9452.1, 0.00314928/step Wall: 9452.1, 0.00314928/step, 1.77515 hours remaining, 242.093750 MB of memory in use. ENERGY: 2970800 4025.0352 20419.5579 14579.2769 253.7888 -202949.9206 2286.8833 0.0000 0.0000 52218.3422 -109167.0363 300.0995 -161385.3785 -108804.0540 299.8842 38.2550 63.2405 762203.4293 1.1618 1.0434 PRESSURE: 2971000 118.552 82.1305 86.1645 82.1301 66.1762 -105.93 86.1636 -105.929 -329.689 GPRESSURE: 2971000 128.165 88.2032 87.1661 14.3084 130.7 -101.902 85.7117 -131.777 -301.219 PRESSAVG: 2971000 18.8858 8.25594 8.11341 8.256 -4.03749 32.2015 8.11345 32.2015 19.3024 GPRESSAVG: 2971000 17.6418 8.34145 5.53896 8.37938 -3.85718 31.413 8.3432 32.6472 19.7622 TIMING: 2971000 CPU: 9452.74, 0.00315399/step Wall: 9452.74, 0.00315399/step, 1.77763 hours remaining, 242.093750 MB of memory in use. ENERGY: 2971000 4028.7007 20469.5177 14483.5236 239.3096 -203233.4935 2512.0021 0.0000 0.0000 52163.0957 -109337.3440 299.7820 -161500.4398 -108969.5830 299.7263 -48.3201 -14.1178 761705.3337 11.3836 11.1823 PRESSURE: 2971200 14.157 -29.9545 -64.1323 -29.9553 6.03815 -244.74 -64.1321 -244.739 53.7973 GPRESSURE: 2971200 10.8762 -185.212 -25.5747 -175.573 153.33 -176.953 -6.67152 -141.743 -0.086464 PRESSAVG: 2971200 -1.59854 -13.725 1.39065 -13.7249 14.44 -63.0931 1.39059 -63.0931 2.14732 GPRESSAVG: 2971200 -0.251353 -15.2359 1.21481 -13.1462 13.6673 -61.8195 2.89778 -64.6985 1.397 TIMING: 2971200 CPU: 9453.37, 0.00315608/step Wall: 9453.37, 0.00315608/step, 1.77863 hours remaining, 242.093750 MB of memory in use. ENERGY: 2971200 3989.1782 20348.2048 14455.1119 256.0214 -203598.6900 2628.7043 0.0000 0.0000 52444.8042 -109476.6651 301.4010 -161921.4693 -109106.0296 299.5877 24.6641 54.7065 761413.5310 4.9963 4.9376 PRESSURE: 2971400 275.258 -119.78 -8.69225 -119.781 283.828 -49.982 -8.69224 -49.9827 416.259 GPRESSURE: 2971400 449.006 30.9316 -0.337777 -239.059 214.004 -130.898 -46.4624 -20.5424 403.987 PRESSAVG: 2971400 -16.1526 5.8606 -60.7619 5.86059 8.47568 -50.1244 -60.7619 -50.1244 3.4668 GPRESSAVG: 2971400 -16.2929 7.55361 -61.3158 7.09558 8.45389 -47.991 -59.2699 -49.8549 3.67288 TIMING: 2971400 CPU: 9453.99, 0.00314169/step Wall: 9453.99, 0.00314169/step, 1.77034 hours remaining, 242.093750 MB of memory in use. ENERGY: 2971400 3895.1092 20632.1448 14519.2845 257.8164 -203668.7946 2930.7409 0.0000 0.0000 52024.4597 -109409.2392 298.9853 -161433.6989 -109056.2519 298.9720 325.1150 355.6657 760360.4691 -1.4034 -1.3887 PRESSURE: 2971600 334.802 -101.187 -69.7665 -101.188 5.89213 -148.813 -69.7669 -148.813 97.2005 GPRESSURE: 2971600 383.216 -97.2615 -64.1393 -50.7757 -9.28054 -152.591 -89.7331 -220.95 133.428 PRESSAVG: 2971600 -0.882252 -4.98953 -25.6295 -4.98948 38.1686 -19.5548 -25.6296 -19.5548 7.00231 GPRESSAVG: 2971600 -1.08677 -5.09673 -24.0803 -7.96308 38.4897 -22.069 -28.2142 -17.3676 6.74234 TIMING: 2971600 CPU: 9454.62, 0.0031345/step Wall: 9454.62, 0.0031345/step, 1.76612 hours remaining, 242.093750 MB of memory in use. ENERGY: 2971600 4058.2863 20431.4221 14435.8481 249.3830 -202726.6374 2289.0372 0.0000 0.0000 52243.5461 -109019.1148 300.2444 -161262.6609 -108660.1847 299.6761 145.9649 169.1212 762780.2857 14.7629 14.7151 PRESSURE: 2971800 -260.603 -199.86 -8.14283 -199.86 -406.886 -73.2151 -8.14291 -73.2149 -308.73 GPRESSURE: 2971800 -222.036 -149.477 -50.6808 -156.039 -366.471 -55.3629 44.8988 34.1513 -299.918 PRESSAVG: 2971800 13.2385 -41.8236 2.56359 -41.8236 -17.9543 -55.2072 2.5636 -55.2073 5.49603 GPRESSAVG: 2971800 11.265 -42.2268 1.80259 -42.1286 -17.428 -54.053 3.87573 -56.7659 7.92907 TIMING: 2971800 CPU: 9455.25, 0.00315334/step Wall: 9455.25, 0.00315334/step, 1.77656 hours remaining, 242.093750 MB of memory in use. ENERGY: 2971800 4005.1748 20487.2726 14463.0014 257.7718 -203089.9314 2561.0757 0.0000 0.0000 52271.8514 -109043.7837 300.4070 -161315.6351 -108683.2966 300.1252 -325.4065 -296.1417 762417.8863 0.2601 0.5887 PRESSURE: 2972000 -249.823 -82.2589 -14.4376 -82.258 -17.5171 -15.9169 -14.4372 -15.9177 -182.892 GPRESSURE: 2972000 -167.343 -84.2208 -27.1112 -59.9688 -85.1378 14.2857 24.3661 -156.405 -127.747 PRESSAVG: 2972000 -31.6611 -13.8218 -36.0384 -13.8219 3.26826 -12.9979 -36.0383 -12.9979 -18.7654 GPRESSAVG: 2972000 -29.8833 -13.2513 -37.4645 -11.4445 3.39714 -13.6828 -36.5755 -11.7609 -20.757 TIMING: 2972000 CPU: 9455.88, 0.00313261/step Wall: 9455.88, 0.00313261/step, 1.76471 hours remaining, 242.093750 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: 2972000 3993.2200 20618.3018 14449.8433 240.1582 -202816.4761 2324.4820 0.0000 0.0000 52050.0133 -109140.4576 299.1321 -161190.4709 -108789.1527 300.0591 -150.0776 -126.7425 763318.2948 -15.7194 -15.7477 PRESSURE: 2972200 174.722 287.722 -35.8839 287.721 426.752 117.982 -35.8837 117.982 491.214 GPRESSURE: 2972200 255.194 125.698 -114.266 330.895 513.586 121.539 -43.9736 150.783 396.098 PRESSAVG: 2972200 -42.2804 -71.2629 -56.654 -71.2628 23.0391 -64.547 -56.6541 -64.5469 21.3834 GPRESSAVG: 2972200 -41.8958 -71.3873 -54.9903 -70.7769 22.7592 -63.9638 -57.2747 -66.3494 21.6181 TIMING: 2972200 CPU: 9456.51, 0.0031399/step Wall: 9456.51, 0.0031399/step, 1.76863 hours remaining, 242.093750 MB of memory in use. ENERGY: 2972200 3951.3922 20427.8667 14431.2239 253.4823 -203223.8999 2741.0584 0.0000 0.0000 52354.2605 -109064.6158 300.8807 -161418.8763 -108708.1382 299.6927 364.2295 388.2927 760263.4644 0.7140 0.8272 LDB: ============= START OF LOAD BALANCING ============== 9468.96 LDB: ============== END OF LOAD BALANCING =============== 9468.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9468.96 LDB: ============= START OF LOAD BALANCING ============== 9469.28 LDB: Largest compute 7025 load 0.034847 is 17.8% of average load 0.195330 LDB: Average compute 0.004369 is 2.2% of average load 0.195330 LDB: TIME 9469.28 LOAD: AVG 0.19533 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 9469.28 LOAD: AVG 0.19533 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: TIME 9469.28 LOAD: AVG 0.19533 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: ============== END OF LOAD BALANCING =============== 9469.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9469.29 PRESSURE: 2972400 192.382 -62.9521 -183.92 -62.9524 244.295 -44.803 -183.92 -44.8035 86.5596 GPRESSURE: 2972400 313.892 -111.631 -239.522 -83.0988 204.979 -5.63351 -3.2695 -21.0416 84.8275 PRESSAVG: 2972400 43.6889 -45.3408 -11.5696 -45.3409 -22.9814 -13.1047 -11.5696 -13.1047 2.84153 GPRESSAVG: 2972400 44.4183 -46.2028 -11.1825 -46.8128 -23.2864 -13.1595 -11.5168 -12.9095 2.33587 TIMING: 2972400 CPU: 9457.15, 0.00322796/step Wall: 9457.15, 0.00322796/step, 1.81806 hours remaining, 240.296875 MB of memory in use. ENERGY: 2972400 3892.5359 20496.6789 14443.6547 245.8485 -202761.9606 2522.1206 0.0000 0.0000 51973.8732 -109187.2488 298.6946 -161161.1219 -108829.0061 299.7698 174.4121 201.2330 762467.7687 7.8497 7.8226 PRESSURE: 2972600 181.707 -130.117 -135.24 -130.117 203.759 338.676 -135.241 338.676 -164.469 GPRESSURE: 2972600 173.862 -207.945 -163.896 -229.439 268.597 344.799 -67.143 213.096 -138.113 PRESSAVG: 2972600 -26.0273 -51.6932 -14.1566 -51.6932 69.2528 -13.4142 -14.1567 -13.4143 6.12352 GPRESSAVG: 2972600 -26.8013 -49.515 -15.5418 -52.7033 69.4027 -15.2226 -12.9027 -11.1558 6.45752 TIMING: 2972600 CPU: 9457.78, 0.00314956/step Wall: 9457.78, 0.00314956/step, 1.77373 hours remaining, 240.296875 MB of memory in use. ENERGY: 2972600 3985.1750 20660.7406 14362.2914 240.9006 -202962.2601 2365.8835 0.0000 0.0000 52046.7248 -109300.5442 299.1132 -161347.2689 -108942.1986 299.4998 73.6657 101.4485 762731.8050 16.4497 16.3530 PRESSURE: 2972800 138.605 26.4228 58.0449 26.4227 248.647 88.7733 58.0443 88.7728 -56.1615 GPRESSURE: 2972800 182.364 -38.7443 -37.8584 70.3655 261.471 1.03418 -63.3297 -7.03438 -28.4547 PRESSAVG: 2972800 -20.9409 5.10675 -41.6107 5.10682 52.6123 -17.976 -41.6107 -17.9759 12.0656 GPRESSAVG: 2972800 -20.2858 4.59464 -43.005 6.29831 52.3575 -18.4183 -42.7879 -19.1663 11.668 TIMING: 2972800 CPU: 9458.41, 0.00313817/step Wall: 9458.41, 0.00313817/step, 1.76714 hours remaining, 240.296875 MB of memory in use. ENERGY: 2972800 4030.4484 20441.6140 14388.9115 239.3244 -202981.9816 2528.9954 0.0000 0.0000 51934.5838 -109418.1041 298.4688 -161352.6878 -109058.7469 299.2600 110.3635 138.4603 761732.6796 14.5790 14.5799 PRESSURE: 2973000 -116.821 113.28 30.7231 113.28 -262.485 -210.517 30.7232 -210.517 -194.509 GPRESSURE: 2973000 -149.344 124.381 -60.0173 177.838 -208.484 -139.664 37.1718 -208.555 -123.954 PRESSAVG: 2973000 21.5755 -47.8393 -4.01619 -47.8394 35.9839 29.559 -4.01622 29.5589 -17.5334 GPRESSAVG: 2973000 19.9466 -48.2355 -2.46671 -46.6735 35.4651 31.9404 -4.89935 29.1865 -16.1622 TIMING: 2973000 CPU: 9459.04, 0.00313768/step Wall: 9459.04, 0.00313768/step, 1.76669 hours remaining, 240.296875 MB of memory in use. ENERGY: 2973000 3992.0461 20393.9002 14428.4980 256.6265 -203226.1078 2433.9617 0.0000 0.0000 52154.1059 -109566.9695 299.7304 -161721.0754 -109208.1913 299.1726 -191.2720 -160.5936 762842.8354 13.3420 13.0832 PRESSURE: 2973200 -443.094 -3.86818 97.5831 -3.8677 72.1889 -32.4546 97.5824 -32.454 13.9175 GPRESSURE: 2973200 -329.78 32.959 105.26 -12.4752 35.309 3.68791 78.5933 -23.6788 29.7015 PRESSAVG: 2973200 -9.25155 -58.1036 11.4887 -58.1036 -7.67598 -75.0999 11.4888 -75.0999 -4.15694 GPRESSAVG: 2973200 -8.37894 -59.3707 11.6356 -58.2511 -7.70992 -76.2244 11.712 -76.0664 -5.41414 TIMING: 2973200 CPU: 9459.67, 0.00315637/step Wall: 9459.67, 0.00315637/step, 1.77704 hours remaining, 240.296875 MB of memory in use. ENERGY: 2973200 3973.3788 20563.7082 14431.5479 239.3385 -203233.0005 2422.8988 0.0000 0.0000 51863.3413 -109738.7870 298.0593 -161602.1283 -109372.0720 299.2452 -118.9957 -88.2564 760186.6225 -7.0282 -7.1677 PRESSURE: 2973400 48.9633 158.446 47.2561 158.447 -108.559 -266.413 47.2554 -266.413 -50.1289 GPRESSURE: 2973400 -38.8328 169.522 -31.8411 51.7424 -16.8673 -329.678 89.3415 -72.592 28.431 PRESSAVG: 2973400 23.7237 -44.1944 -60.4574 -44.1943 30.4855 -71.435 -60.4574 -71.435 7.11958 GPRESSAVG: 2973400 22.4409 -41.7542 -61.6835 -45.8134 30.704 -73.2836 -60.4127 -69.9036 8.25839 TIMING: 2973400 CPU: 9460.3, 0.00315973/step Wall: 9460.3, 0.00315973/step, 1.77875 hours remaining, 240.296875 MB of memory in use. ENERGY: 2973400 4009.0530 20573.4142 14442.0723 250.6634 -203360.1150 2429.4971 0.0000 0.0000 51942.8389 -109712.5761 298.5162 -161655.4150 -109357.2515 298.9691 -36.5750 -9.0897 759427.1045 20.4429 20.4678 PRESSURE: 2973600 -250.975 -213.699 97.7195 -213.698 34.9529 -50.9092 97.7187 -50.909 -164.439 GPRESSURE: 2973600 -138.9 -192.968 -50.3049 -228.059 -49.3936 -9.68442 137.952 -139.001 -125.331 PRESSAVG: 2973600 -11.8159 -20.0499 -16.8488 -20.0499 11.7692 0.166126 -16.8489 0.166121 -4.2557 GPRESSAVG: 2973600 -10.9856 -21.4523 -13.9654 -18.3494 10.9958 2.58882 -17.8782 -1.60968 -4.8292 TIMING: 2973600 CPU: 9460.93, 0.00312618/step Wall: 9460.93, 0.00312618/step, 1.75969 hours remaining, 240.296875 MB of memory in use. ENERGY: 2973600 3990.8391 20680.3207 14424.5103 244.1809 -203326.1553 2500.1244 0.0000 0.0000 52130.2678 -109355.9121 299.5934 -161486.1799 -108995.1239 299.3671 -126.8204 -104.5415 761260.5693 -1.4341 -1.6063 PRESSURE: 2973800 -416.285 -168.862 -223.921 -168.862 -530.838 -12.8318 -223.922 -12.8324 -390.949 GPRESSURE: 2973800 -413.816 -198.034 -265.126 -216.507 -483.603 -4.05637 -187.224 58.5533 -356.201 PRESSAVG: 2973800 -27.7745 -28.0056 -32.295 -28.0055 45.0824 -64.8399 -32.295 -64.84 23.4874 GPRESSAVG: 2973800 -27.5696 -29.2292 -33.5892 -28.1714 44.7407 -65.8655 -30.9124 -64.2571 23.9339 TIMING: 2973800 CPU: 9461.55, 0.0031238/step Wall: 9461.55, 0.0031238/step, 1.75818 hours remaining, 240.296875 MB of memory in use. ENERGY: 2973800 4095.3413 20399.8906 14352.5955 236.8758 -203223.7808 2528.6708 0.0000 0.0000 52100.1722 -109510.2346 299.4204 -161610.4068 -109142.3086 299.5551 -446.0236 -417.8734 763189.4658 13.5984 13.7017 PRESSURE: 2974000 -17.3273 -181.253 26.665 -181.252 -248.57 8.02187 26.6649 8.02226 -121.912 GPRESSURE: 2974000 25.3803 -8.38049 -6.45671 -77.9558 -185.516 35.0763 -118.673 -177.295 -138.834 PRESSAVG: 2974000 24.4103 -33.0909 -29.1361 -33.0908 -41.8327 6.30458 -29.136 6.30458 -8.32404 GPRESSAVG: 2974000 23.4464 -32.023 -28.4197 -31.0916 -41.0919 6.48919 -30.735 6.10202 -8.03137 TIMING: 2974000 CPU: 9462.18, 0.0031435/step Wall: 9462.18, 0.0031435/step, 1.76909 hours remaining, 240.296875 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: 2974000 4008.5769 20490.1962 14460.4324 239.0319 -203314.8216 2454.7406 0.0000 0.0000 52269.4308 -109392.4127 300.3931 -161661.8435 -109036.7755 299.4624 -129.2695 -99.6564 761510.8307 -8.5821 -8.5589 PRESSURE: 2974200 -144.053 -185.186 -97.052 -185.188 -9.35176 77.8366 -97.0517 77.8365 324.923 GPRESSURE: 2974200 -71.5782 -189.307 1.60185 -222.631 -1.47863 -29.4155 -234.601 96.6672 329.639 PRESSAVG: 2974200 -45.857 18.246 -33.937 18.246 8.88392 8.70905 -33.937 8.70902 -16.5604 GPRESSAVG: 2974200 -44.9488 18.7854 -35.8455 15.5321 8.12508 7.3671 -33.2137 10.043 -16.7228 TIMING: 2974200 CPU: 9462.81, 0.00316994/step Wall: 9462.81, 0.00316994/step, 1.7838 hours remaining, 240.296875 MB of memory in use. ENERGY: 2974200 4028.1310 20564.9055 14431.2927 246.8488 -203284.2819 2483.8334 0.0000 0.0000 51877.0382 -109652.2323 298.1381 -161529.2705 -109286.0567 298.8057 57.1728 85.5272 761691.2840 -17.8445 -17.8488 PRESSURE: 2974400 206.565 116.826 -56.3487 116.827 29.0129 233.255 -56.3483 233.255 -48.2564 GPRESSURE: 2974400 215.791 23.7116 -127.212 68.426 142.918 220.688 4.11116 223.775 -87.3831 PRESSAVG: 2974400 -3.94454 -22.3505 33.0009 -22.3505 24.8867 40.1405 33.0009 40.1406 -20.8819 GPRESSAVG: 2974400 -3.8259 -21.5868 33.122 -21.9617 24.9829 41.3136 34.4547 39.1973 -20.9257 TIMING: 2974400 CPU: 9463.44, 0.00315426/step Wall: 9463.44, 0.00315426/step, 1.7748 hours remaining, 240.296875 MB of memory in use. ENERGY: 2974400 3963.3534 20704.1028 14415.9607 257.4474 -203690.0839 2597.4303 0.0000 0.0000 52302.9185 -109448.8707 300.5856 -161751.7892 -109089.4313 299.1119 62.4406 90.4419 760815.0492 0.0201 0.0771 PRESSURE: 2974600 -149.515 -81.7171 276.013 -81.7169 -116.666 61.4267 276.012 61.4262 17.9554 GPRESSURE: 2974600 -25.4166 -85.3785 256.226 -46.8656 -174.366 42.3564 316.698 46.9389 44.2885 PRESSAVG: 2974600 18.4466 -71.2356 29.9875 -71.2356 17.4916 48.9637 29.9874 48.9637 9.99501 GPRESSAVG: 2974600 18.4853 -72.8658 31.6662 -69.1702 18.121 49.218 27.5598 47.7064 9.0669 TIMING: 2974600 CPU: 9464.07, 0.00314679/step Wall: 9464.07, 0.00314679/step, 1.77042 hours remaining, 240.296875 MB of memory in use. ENERGY: 2974600 3916.2942 20555.0297 14418.6239 251.7662 -203310.7555 2487.7296 0.0000 0.0000 52134.0878 -109547.2240 299.6153 -161681.3119 -109176.3174 299.6695 -82.7416 -51.8313 762513.2841 15.3111 15.2244 PRESSURE: 2974800 -167.563 158.709 -263.734 158.71 -8.90549 328.25 -263.734 328.25 -259.804 GPRESSURE: 2974800 -125.406 158.265 -325.914 37.4789 -75.2858 274.673 -188.13 359.452 -159.584 PRESSAVG: 2974800 54.2752 -4.8368 19.2351 -4.83684 4.19658 13.5111 19.2351 13.511 13.6392 GPRESSAVG: 2974800 54.4113 -4.11835 20.1583 -5.52065 2.98587 14.17 20.7325 14.2248 14.431 TIMING: 2974800 CPU: 9464.7, 0.00315056/step Wall: 9464.7, 0.00315056/step, 1.77237 hours remaining, 240.296875 MB of memory in use. ENERGY: 2974800 3972.6895 20470.1671 14421.5293 239.9551 -203232.8616 2434.4966 0.0000 0.0000 52205.8364 -109488.1876 300.0277 -161694.0240 -109110.8163 298.9636 -145.4241 -120.0919 761390.3671 24.0370 23.9427 PRESSURE: 2975000 91.0125 -159.524 125.111 -159.524 -66.1069 -90.1829 125.11 -90.1821 352.31 GPRESSURE: 2975000 138.542 -65.8014 161.909 -135.504 -26.4126 -70.2968 20.8549 -102.201 352.269 PRESSAVG: 2975000 31.8607 -29.9594 16.0767 -29.9593 -22.1617 63.4709 16.0766 63.471 -16.9885 GPRESSAVG: 2975000 32.5605 -28.6185 15.2895 -31.0644 -22.2094 61.8155 14.611 62.9922 -17.7315 TIMING: 2975000 CPU: 9465.34, 0.00315809/step Wall: 9465.34, 0.00315809/step, 1.77643 hours remaining, 240.296875 MB of memory in use. ENERGY: 2975000 3985.3957 20476.9483 14378.9135 233.6151 -203043.7088 2408.3827 0.0000 0.0000 51995.1614 -109565.2920 298.8169 -161560.4535 -109208.4834 298.9965 125.7386 154.7995 761179.5268 -2.4298 -2.4601 PRESSURE: 2975200 159.006 0.390554 98.9592 0.391134 55.6188 76.9332 98.9598 76.934 173.007 GPRESSURE: 2975200 239.285 -26.9333 19.7414 23.0981 130.369 166.389 98.7969 -10.0015 105.079 PRESSAVG: 2975200 10.1225 -31.5661 -1.33681 -31.5661 2.66286 24.1469 -1.33681 24.1468 3.24579 GPRESSAVG: 2975200 9.62147 -31.4328 -1.7727 -32.0926 4.00051 25.6046 0.60238 23.7069 2.51729 TIMING: 2975200 CPU: 9465.97, 0.00315689/step Wall: 9465.97, 0.00315689/step, 1.77558 hours remaining, 240.296875 MB of memory in use. ENERGY: 2975200 4016.0058 20507.6643 14469.8382 270.2400 -203400.5054 2676.2902 0.0000 0.0000 51943.5769 -109516.8901 298.5205 -161460.4669 -109161.5566 298.9430 129.2105 158.2444 760039.8393 5.3437 5.3798 PRESSURE: 2975400 88.2728 135.779 -93.0939 135.779 121.97 112.324 -93.0937 112.324 219.652 GPRESSURE: 2975400 118.205 71.757 -184.929 -9.95196 153.273 60.8147 9.92592 27.6588 241.454 PRESSAVG: 2975400 -14.9132 -64.0492 -10.2023 -64.0493 30.629 1.98561 -10.2022 1.98553 9.25662 GPRESSAVG: 2975400 -15.1207 -64.3005 -11.4518 -63.8857 29.1556 2.9924 -10.6936 1.65673 10.6913 TIMING: 2975400 CPU: 9466.59, 0.0031358/step Wall: 9466.59, 0.0031358/step, 1.76354 hours remaining, 240.296875 MB of memory in use. ENERGY: 2975400 4008.0159 20362.4700 14390.9523 227.3565 -203161.2589 2540.5155 0.0000 0.0000 52085.7492 -109546.1996 299.3375 -161631.9488 -109178.0289 298.9188 143.2982 170.9773 761331.4383 8.3241 8.2421 PRESSURE: 2975600 370.571 108.419 -99.2217 108.419 102.519 -112.578 -99.2213 -112.578 214.51 GPRESSURE: 2975600 402.079 82.5517 -16.4736 117.57 122.483 -97.1008 -41.9893 -33.0697 249.491 PRESSAVG: 2975600 32.1504 -47.6156 24.5205 -47.6156 -20.8603 46.0618 24.5206 46.0618 -7.98017 GPRESSAVG: 2975600 32.2587 -49.5357 25.9882 -46.9349 -21.1532 43.9781 24.1992 48.0716 -7.89932 TIMING: 2975600 CPU: 9467.22, 0.00313796/step Wall: 9467.22, 0.00313796/step, 1.76458 hours remaining, 240.296875 MB of memory in use. ENERGY: 2975600 4020.7292 20625.6088 14416.3318 258.4142 -203532.2516 2902.1295 0.0000 0.0000 51850.5107 -109458.5274 297.9856 -161309.0381 -109108.7673 298.9468 229.1998 258.0177 761535.4700 1.1033 1.0687 PRESSURE: 2975800 -428.115 -121.425 61.1444 -121.425 -199.922 -365.206 61.1447 -365.205 -156.617 GPRESSURE: 2975800 -376.195 -202.653 145.477 -59.4558 -199.701 -412.001 57.343 -396.103 -112.274 PRESSAVG: 2975800 -31.8335 -25.0061 -27.7299 -25.0061 38.4121 -34.4383 -27.73 -34.4384 39.1132 GPRESSAVG: 2975800 -31.2934 -23.4404 -26.9007 -25.4757 37.3354 -33.6533 -28.3589 -35.1053 39.5791 TIMING: 2975800 CPU: 9467.85, 0.00314708/step Wall: 9467.85, 0.00314708/step, 1.76954 hours remaining, 240.296875 MB of memory in use. ENERGY: 2975800 4058.2097 20656.1770 14504.5115 239.5374 -203134.7751 2425.3085 0.0000 0.0000 51900.6704 -109350.3606 298.2739 -161251.0310 -108993.5447 299.5873 -261.5516 -229.3900 761123.1472 15.2306 15.2071 PRESSURE: 2976000 26.1037 -297.303 -49.951 -297.304 -207.276 -54.1786 -49.9508 -54.1783 112.228 GPRESSURE: 2976000 39.2915 -188.671 -26.4845 -272.211 -143.093 -38.608 12.9774 -40.1336 116.813 PRESSAVG: 2976000 13.2809 -17.5421 -4.29726 -17.5421 5.20625 47.0976 -4.29722 47.0975 8.74732 GPRESSAVG: 2976000 12.7817 -18.3134 -6.07943 -15.4148 6.78369 46.5501 -3.99851 47.3854 7.64753 TIMING: 2976000 CPU: 9468.48, 0.00313652/step Wall: 9468.48, 0.00313652/step, 1.76342 hours remaining, 240.296875 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: 2976000 3959.7523 20511.2783 14428.8234 233.6873 -203166.3894 2405.1534 0.0000 0.0000 52248.1311 -109379.5636 300.2707 -161627.6947 -109009.2833 299.1506 -22.9814 4.3371 761763.7011 9.0781 9.0710 PRESSURE: 2976200 -41.5415 0.245118 40.3557 0.24605 102.214 -53.7629 40.3556 -53.7625 -94.1466 GPRESSURE: 2976200 -55.368 49.2549 11.893 27.6622 105.52 -75.4898 -98.0665 -146.574 16.0094 PRESSAVG: 2976200 33.8359 -26.1665 -1.20978 -26.1665 -11.881 46.0853 -1.20976 46.0853 0.135301 GPRESSAVG: 2976200 32.3926 -24.6129 -1.05948 -29.9043 -10.8099 45.3449 -0.437748 45.959 0.234969 TIMING: 2976200 CPU: 9469.11, 0.00316679/step Wall: 9469.11, 0.00316679/step, 1.78026 hours remaining, 240.296875 MB of memory in use. ENERGY: 2976200 3944.3670 20686.7844 14410.3887 223.3136 -203373.8935 2733.7250 0.0000 0.0000 52003.3769 -109371.9380 298.8641 -161375.3149 -109005.3069 299.6450 -11.1579 22.0537 762616.6756 7.3634 7.2726 LDB: ============= START OF LOAD BALANCING ============== 9481.56 LDB: ============== END OF LOAD BALANCING =============== 9481.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.56 LDB: ============= START OF LOAD BALANCING ============== 9481.88 LDB: Largest compute 7038 load 0.032801 is 16.8% of average load 0.195280 LDB: Average compute 0.004383 is 2.2% of average load 0.195280 LDB: TIME 9481.88 LOAD: AVG 0.19528 MAX 0.217693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.188 MB LDB: TIME 9481.88 LOAD: AVG 0.19528 MAX 0.217693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: TIME 9481.88 LOAD: AVG 0.19528 MAX 0.217693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: ============== END OF LOAD BALANCING =============== 9481.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.89 PRESSURE: 2976400 -146.882 83.4183 214.272 83.4171 -377.563 229.826 214.271 229.826 -417.284 GPRESSURE: 2976400 -59.1762 54.7995 171.83 109.798 -339.885 294.35 290.664 239.206 -470.192 PRESSAVG: 2976400 50.4945 -6.80448 -65.7627 -6.80451 -31.45 -25.0052 -65.7627 -25.0052 25.586 GPRESSAVG: 2976400 51.969 -9.35767 -65.2958 -4.59297 -33.3296 -23.6947 -66.9921 -26.2124 26.0538 TIMING: 2976400 CPU: 9469.75, 0.0032072/step Wall: 9469.75, 0.0032072/step, 1.8028 hours remaining, 239.324219 MB of memory in use. ENERGY: 2976400 4006.9134 20577.0852 14430.1081 234.1573 -203522.0279 2597.4781 0.0000 0.0000 52035.6314 -109640.6544 299.0495 -161676.2858 -109274.8204 298.7567 -313.9099 -289.7509 761969.0206 14.8768 14.8978 PRESSURE: 2976600 203.714 -132.919 217.792 -132.919 -128.849 213.226 217.791 213.226 21.0969 GPRESSURE: 2976600 214.321 -91.9434 216.965 -194.782 -46.636 256.213 157.822 56.5205 10.6682 PRESSAVG: 2976600 116.745 -5.66401 -23.5014 -5.66403 -86.4406 37.8104 -23.5014 37.8104 6.25259 GPRESSAVG: 2976600 115.37 -3.77298 -23.9404 -6.62156 -86.8235 36.7423 -23.8723 38.8599 7.7752 TIMING: 2976600 CPU: 9470.38, 0.00314238/step Wall: 9470.38, 0.00314238/step, 1.76619 hours remaining, 239.324219 MB of memory in use. ENERGY: 2976600 3966.5242 20577.8191 14410.6422 254.6418 -203494.1676 2718.4294 0.0000 0.0000 52131.4851 -109434.6258 299.6004 -161566.1109 -109072.9564 298.9026 31.9874 59.4509 762925.4207 12.1856 12.1073 PRESSURE: 2976800 10.8716 46.7162 -92.1112 46.7169 54.1693 -172.513 -92.1106 -172.513 -256.977 GPRESSURE: 2976800 63.8507 91.9205 -131.284 192.721 63.2473 -207.588 -10.6076 -109.244 -244.096 PRESSAVG: 2976800 60.8824 7.35073 -103.252 7.35067 -67.3023 5.62346 -103.252 5.62339 15.0361 GPRESSAVG: 2976800 61.4789 5.46857 -103.182 9.97088 -67.387 6.49236 -102.094 4.78177 14.6798 TIMING: 2976800 CPU: 9471.01, 0.00313804/step Wall: 9471.01, 0.00313804/step, 1.76358 hours remaining, 239.324219 MB of memory in use. ENERGY: 2976800 3977.5500 20659.6751 14379.5452 230.1040 -203155.2927 2401.4951 0.0000 0.0000 52022.0461 -109484.8771 298.9714 -161506.9232 -109124.3824 299.3131 -63.9786 -38.9993 762794.7076 2.8721 2.9239 PRESSURE: 2977000 279.009 98.724 -66.3663 98.7232 428.451 -62.8045 -66.3664 -62.8052 328.355 GPRESSURE: 2977000 390.026 92.5451 -21.6174 47.9941 458.991 -57.562 -154.714 -91.3942 275.065 PRESSAVG: 2977000 7.66756 -37.571 5.35969 -37.571 15.0329 31.5348 5.35965 31.5349 7.63591 GPRESSAVG: 2977000 8.4501 -35.7594 5.73005 -38.9304 15.6326 31.7918 7.38535 31.586 6.5028 TIMING: 2977000 CPU: 9471.64, 0.00315308/step Wall: 9471.64, 0.00315308/step, 1.77185 hours remaining, 239.324219 MB of memory in use. ENERGY: 2977000 3940.3791 20651.8092 14429.9808 247.8670 -203594.8515 2795.9459 0.0000 0.0000 52114.1869 -109414.6825 299.5009 -161528.8695 -109036.9550 299.2935 345.2718 374.6941 760508.9879 10.1121 10.1952 PRESSURE: 2977200 290.301 -92.3189 49.2591 -92.32 -19.7629 206.417 49.2594 206.416 -29.1293 GPRESSURE: 2977200 213.154 13.1848 -7.96822 -26.587 26.2664 128.728 22.3968 138.559 84.7688 PRESSAVG: 2977200 19.4033 -39.9501 -19.9796 -39.9502 -22.8491 -23.0254 -19.9795 -23.0253 32.7738 GPRESSAVG: 2977200 18.7696 -41.2316 -20.5149 -40.8467 -22.6326 -23.9951 -19.8015 -23.0602 33.2199 TIMING: 2977200 CPU: 9472.27, 0.00315386/step Wall: 9472.27, 0.00315386/step, 1.77212 hours remaining, 239.324219 MB of memory in use. ENERGY: 2977200 4014.9415 20573.7793 14420.7952 238.6257 -203540.5363 2665.3343 0.0000 0.0000 52158.1513 -109468.9091 299.7536 -161627.0604 -109107.4278 299.3827 80.4696 108.0630 762083.8334 9.7760 9.7856 PRESSURE: 2977400 -108.93 61.0842 -213.852 61.0852 -216.656 -83.2825 -213.85 -83.2816 -390.992 GPRESSURE: 2977400 -97.5045 -49.2931 -263.086 61.3439 -185.884 -134.725 -126.694 -0.0569813 -345.533 PRESSAVG: 2977400 7.75868 -18.9166 4.46476 -18.9164 -98.8705 57.2941 4.46481 57.2941 -18.4846 GPRESSAVG: 2977400 7.38821 -17.2076 4.96091 -18.1979 -98.6644 58.1571 3.57114 56.214 -18.6877 TIMING: 2977400 CPU: 9472.9, 0.0031576/step Wall: 9472.9, 0.0031576/step, 1.77405 hours remaining, 239.324219 MB of memory in use. ENERGY: 2977400 4043.6020 20573.9763 14451.9765 233.6498 -203159.1629 2521.3525 0.0000 0.0000 51868.7034 -109465.9024 298.0902 -161334.6058 -109104.7033 299.2940 -238.8590 -209.6406 764172.9624 -36.5321 -36.6546 PRESSURE: 2977600 -262.989 226.734 247.539 226.734 151.091 -84.7134 247.539 -84.7131 -218.918 GPRESSURE: 2977600 -222.441 182.218 253.414 152.287 202.13 14.3616 190.536 79.3581 -242.445 PRESSAVG: 2977600 15.0198 41.9095 16.284 41.9095 -5.75466 21.1806 16.284 21.1806 -7.45229 GPRESSAVG: 2977600 13.7992 41.5735 15.5831 41.9281 -5.12248 21.5373 15.5274 23.2867 -7.11962 TIMING: 2977600 CPU: 9473.53, 0.00314974/step Wall: 9473.53, 0.00314974/step, 1.76945 hours remaining, 239.324219 MB of memory in use. ENERGY: 2977600 4001.2989 20660.8899 14377.0117 239.8847 -203583.7131 2666.1198 0.0000 0.0000 52281.6866 -109356.8215 300.4636 -161638.5081 -108988.2562 299.4604 -110.2721 -87.5854 762005.3632 0.6043 0.5191 PRESSURE: 2977800 -137.497 -378.384 109.123 -378.384 -20.2456 166.992 109.122 166.991 -35.2228 GPRESSURE: 2977800 -152.782 -266.401 58.6927 -284.083 15.2697 53.9884 44.7276 205.193 10.2251 PRESSAVG: 2977800 -14.2121 -22.1197 -23.889 -22.1197 -25.3907 0.105958 -23.889 0.10593 -7.14174 GPRESSAVG: 2977800 -13.527 -22.4093 -24.5818 -23.227 -26.1442 -2.46649 -23.2477 0.972293 -7.11504 TIMING: 2977800 CPU: 9474.16, 0.00315182/step Wall: 9474.16, 0.00315182/step, 1.77045 hours remaining, 239.324219 MB of memory in use. ENERGY: 2977800 4020.8980 20446.4167 14446.0710 231.0993 -203367.0804 2686.5063 0.0000 0.0000 52327.2456 -109208.8435 300.7254 -161536.0891 -108843.2150 299.5911 -64.3218 -42.4292 762488.6973 -15.5815 -15.5954 PRESSURE: 2978000 -157.542 25.9786 89.2169 25.9791 -58.8214 30.9505 89.2167 30.9504 -102.111 GPRESSURE: 2978000 -74.6511 -48.6893 122.581 -38.1989 -63.6883 58.7895 106.618 5.20864 -107.913 PRESSAVG: 2978000 -1.20281 -32.1564 -1.05039 -32.1565 -22.2671 -3.05124 -1.05036 -3.05123 -0.946631 GPRESSAVG: 2978000 -1.51157 -31.0824 -0.488589 -32.1936 -22.2033 -0.880343 -1.46285 -5.31363 -1.40243 TIMING: 2978000 CPU: 9474.79, 0.00315705/step Wall: 9474.79, 0.00315705/step, 1.77321 hours remaining, 239.324219 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: 2978000 4040.0573 20558.4056 14492.2455 265.6842 -203387.6119 2603.3138 0.0000 0.0000 52172.9341 -109254.9715 299.8386 -161427.9055 -108895.9097 299.7274 -106.1581 -82.0841 762338.1515 -8.1389 -8.3724 PRESSURE: 2978200 -229.752 34.6581 -5.61575 34.6577 -120.285 -209.662 -5.61552 -209.662 84.0472 GPRESSURE: 2978200 -158.332 91.3958 -34.5265 -105.262 -153.384 -170.258 40.1952 -119.98 134.366 PRESSAVG: 2978200 70.1682 -9.92504 -24.1692 -9.92497 -76.2901 7.9495 -24.1692 7.94951 27.9006 GPRESSAVG: 2978200 70.0392 -12.1155 -23.4558 -7.91064 -76.3926 7.6808 -23.7471 7.86419 28.6014 TIMING: 2978200 CPU: 9475.42, 0.00315217/step Wall: 9475.42, 0.00315217/step, 1.7703 hours remaining, 239.324219 MB of memory in use. ENERGY: 2978200 4025.6367 20621.4417 14330.7329 246.8832 -203278.1168 2624.1682 0.0000 0.0000 52119.5201 -109309.7341 299.5316 -161429.2542 -108944.1172 299.8864 -88.6635 -59.1167 761863.8935 7.2595 7.4160 PRESSURE: 2978400 -27.606 -46.2158 -29.1841 -46.2156 303.74 71.1677 -29.1838 71.1695 -52.9676 GPRESSURE: 2978400 149.573 -155.771 2.14882 39.1081 327.295 112.508 86.6658 29.6312 -140.131 PRESSAVG: 2978400 -18.3104 -10.3127 10.7588 -10.3127 15.1301 -7.19167 10.7589 -7.19163 2.25983 GPRESSAVG: 2978400 -17.0002 -10.3162 9.79575 -11.0643 15.2548 -7.23051 11.7704 -6.26431 0.396925 TIMING: 2978400 CPU: 9476.05, 0.00314828/step Wall: 9476.05, 0.00314828/step, 1.76793 hours remaining, 239.324219 MB of memory in use. ENERGY: 2978400 3976.4324 20601.8446 14392.9788 223.9647 -203458.9423 2674.1812 0.0000 0.0000 52314.5225 -109275.0180 300.6523 -161589.5404 -108910.1726 299.5027 74.3889 112.2456 761237.6966 -0.3068 -0.4495 PRESSURE: 2978600 159.168 -18.5852 52.699 -18.5849 -97.1323 -107.364 52.6994 -107.364 -73.2021 GPRESSURE: 2978600 139.262 -34.3675 6.32201 -25.4073 -77.6582 -105.285 100.287 -10.3523 3.13747 PRESSAVG: 2978600 13.0988 -23.2824 -14.1287 -23.2824 -7.48716 -61.345 -14.1288 -61.3451 17.7561 GPRESSAVG: 2978600 13.1881 -23.0762 -13.4159 -23.8642 -8.11637 -61.6188 -15.613 -61.3696 17.9229 TIMING: 2978600 CPU: 9476.69, 0.00317159/step Wall: 9476.69, 0.00317159/step, 1.78085 hours remaining, 239.324219 MB of memory in use. ENERGY: 2978600 4029.2363 20483.0833 14436.2932 254.2450 -203491.3699 2693.1546 0.0000 0.0000 52230.5769 -109364.7805 300.1698 -161595.3575 -109001.7559 299.4878 -3.7220 21.5805 762768.0348 7.7893 7.6649 PRESSURE: 2978800 -58.7343 -30.3833 4.65439 -30.3826 -171.352 54.3022 4.655 54.3028 -6.63096 GPRESSURE: 2978800 -52.8124 -67.6693 55.2946 -28.1181 -102.98 8.76566 81.5196 146.863 -8.54811 PRESSAVG: 2978800 40.4306 -24.6584 40.4413 -24.6583 -36.552 -18.7304 40.4413 -18.7304 20.4804 GPRESSAVG: 2978800 40.3765 -23.7402 40.0473 -24.0962 -36.5485 -17.3905 40.893 -18.7157 20.0092 TIMING: 2978800 CPU: 9477.32, 0.00314261/step Wall: 9477.32, 0.00314261/step, 1.7644 hours remaining, 239.324219 MB of memory in use. ENERGY: 2978800 3986.5961 20629.6420 14433.9238 263.4874 -203115.0980 2376.7953 0.0000 0.0000 51985.7568 -109438.8967 298.7629 -161424.6535 -109075.8262 299.2821 -78.9058 -54.7801 762282.0009 8.1196 7.9457 PRESSURE: 2979000 137.722 -124.874 -196.024 -124.875 319.235 32.0368 -196.023 32.0374 163.278 GPRESSURE: 2979000 208.169 -121.31 -165.453 -227.98 383.385 29.5536 -215.492 -131.199 117.762 PRESSAVG: 2979000 24.5353 -40.1565 -29.8581 -40.1566 -25.5558 49.109 -29.8582 49.1089 6.67672 GPRESSAVG: 2979000 23.6547 -38.8106 -29.1725 -40.2764 -26.142 48.4753 -30.0612 47.6206 7.79597 TIMING: 2979000 CPU: 9477.94, 0.00313541/step Wall: 9477.94, 0.00313541/step, 1.76018 hours remaining, 239.324219 MB of memory in use. ENERGY: 2979000 4047.9444 20436.8967 14459.1030 250.4698 -203440.4760 2736.1526 0.0000 0.0000 52029.4091 -109480.5005 299.0137 -161509.9095 -109116.0835 299.4375 206.7450 236.4385 760546.2987 1.8854 1.7695 PRESSURE: 2979200 142.265 126.56 103.18 126.559 -168.259 21.0698 103.18 21.0704 415.455 GPRESSURE: 2979200 280.454 17.0703 146.164 206.191 -136.675 53.4065 75.0802 132.086 333.981 PRESSAVG: 2979200 0.378807 -13.4049 -12.0354 -13.4049 -53.6818 7.36029 -12.0354 7.36036 -11.5805 GPRESSAVG: 2979200 0.666531 -16.2302 -12.0466 -14.1276 -53.8833 8.26824 -12.4232 8.41563 -12.1415 TIMING: 2979200 CPU: 9478.57, 0.00313215/step Wall: 9478.57, 0.00313214/step, 1.75818 hours remaining, 239.324219 MB of memory in use. ENERGY: 2979200 3912.4853 20582.9928 14391.8831 266.8581 -203577.4115 2849.5187 0.0000 0.0000 52017.4699 -109556.2035 298.9451 -161573.6734 -109195.2274 299.6056 129.8204 159.2535 760292.0571 -21.6278 -21.7861 PRESSURE: 2979400 -96.9557 -229.611 -17.0459 -229.612 -48.8026 133.909 -17.0459 133.909 45.883 GPRESSURE: 2979400 -48.0247 -250.899 25.7232 -189.601 43.1605 114.712 -9.75465 82.2936 -11.5738 PRESSAVG: 2979400 36.0519 -84.2423 -78.7991 -84.2424 -3.68247 0.993399 -78.7992 0.993378 -12.1274 GPRESSAVG: 2979400 35.2271 -83.3601 -78.2437 -85.0534 -3.23377 0.0936802 -78.7836 0.73206 -11.2065 TIMING: 2979400 CPU: 9479.2, 0.00313846/step Wall: 9479.2, 0.00313846/step, 1.76155 hours remaining, 239.324219 MB of memory in use. ENERGY: 2979400 3974.8626 20607.5539 14436.6150 241.6461 -203502.6557 2588.6254 0.0000 0.0000 52301.3681 -109351.9845 300.5767 -161653.3526 -108984.8357 299.3733 -33.2918 -5.4793 760694.7182 6.7473 6.9289 PRESSURE: 2979600 247.72 101.97 30.1331 101.97 108.479 -71.4804 30.1316 -71.4807 -143.216 GPRESSURE: 2979600 268.226 81.3198 30.7581 112.153 118.881 -134.671 18.4235 -141.49 -82.4884 PRESSAVG: 2979600 -1.44761 -21.9196 -3.01313 -21.9196 37.9163 -20.9684 -3.01318 -20.9684 -17.8365 GPRESSAVG: 2979600 -1.62788 -21.3002 -4.49436 -22.2743 38.0329 -20.1058 -3.95826 -20.4393 -17.8016 TIMING: 2979600 CPU: 9479.82, 0.00312787/step Wall: 9479.82, 0.00312787/step, 1.75543 hours remaining, 239.324219 MB of memory in use. ENERGY: 2979600 3978.8112 20598.5855 14393.5155 245.8654 -202946.0316 2304.9860 0.0000 0.0000 52000.7318 -109423.5361 298.8489 -161424.2680 -109061.7778 300.0782 70.9943 101.5394 761801.9291 6.2107 6.2011 PRESSURE: 2979800 -179.769 -73.8752 -82.315 -73.8744 157.954 89.8507 -82.3163 89.8499 -510.507 GPRESSURE: 2979800 -139.428 -131.958 -53.2047 10.8185 88.5495 42.6061 -61.4408 82.7755 -415.558 PRESSAVG: 2979800 4.73338 -33.5685 -14.6638 -33.5685 -5.8784 -20.2387 -14.6638 -20.2387 12.2609 GPRESSAVG: 2979800 4.15675 -35.7125 -13.9016 -30.3136 -5.74764 -21.5528 -14.0987 -20.2106 12.4565 TIMING: 2979800 CPU: 9480.45, 0.00314337/step Wall: 9480.45, 0.00314337/step, 1.76395 hours remaining, 239.324219 MB of memory in use. ENERGY: 2979800 4022.0547 20485.9671 14396.5621 230.7147 -203238.2012 2535.0282 0.0000 0.0000 51950.1291 -109617.7454 298.5581 -161567.8744 -109257.5142 298.9081 -177.4406 -155.4787 762648.7999 3.7053 3.6219 PRESSURE: 2980000 -46.8747 -107.546 26.864 -107.545 125.017 -255.201 26.8634 -255.2 343.911 GPRESSURE: 2980000 -17.5244 -66.8592 17.4472 25.5418 231.25 -146.367 -26.609 -143.538 282.452 PRESSAVG: 2980000 -34.7378 -21.6713 -11.7547 -21.6713 24.7734 51.3174 -11.7547 51.3174 -4.20632 GPRESSAVG: 2980000 -33.5398 -18.9853 -13.4378 -22.7931 23.6967 52.3919 -10.0009 51.3153 -3.84439 TIMING: 2980000 CPU: 9481.08, 0.00313141/step Wall: 9481.08, 0.00313141/step, 1.75707 hours remaining, 239.324219 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: 2980000 4008.4741 20475.2043 14415.7220 240.5498 -203584.1750 2686.3886 0.0000 0.0000 52093.1282 -109664.7080 299.3799 -161757.8362 -109289.5400 298.8481 140.6845 165.3925 762298.0824 -4.7236 -4.5625 PRESSURE: 2980200 85.8823 -160.216 -76.9663 -160.217 -43.5105 -77.8928 -76.9662 -77.8927 241.014 GPRESSURE: 2980200 142.704 -209.445 38.961 -203.756 40.7273 13.8846 -145.425 -113.416 178.58 PRESSAVG: 2980200 5.89141 -28.0959 -2.84578 -28.0959 -1.12457 34.8339 -2.84577 34.8339 4.79073 GPRESSAVG: 2980200 6.4753 -30.8549 -1.52135 -29.2364 -1.06648 35.1773 -4.59135 32.6211 4.38916 TIMING: 2980200 CPU: 9481.71, 0.00317685/step Wall: 9481.71, 0.00317685/step, 1.78239 hours remaining, 239.324219 MB of memory in use. ENERGY: 2980200 4019.7020 20598.6335 14397.0700 257.8163 -203681.5993 2601.9815 0.0000 0.0000 52119.9335 -109686.4625 299.5340 -161806.3960 -109323.1063 298.7870 94.4619 120.6701 762011.5263 3.1859 3.2660 LDB: ============= START OF LOAD BALANCING ============== 9494.17 LDB: ============== END OF LOAD BALANCING =============== 9494.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9494.17 LDB: ============= START OF LOAD BALANCING ============== 9494.49 LDB: Largest compute 7056 load 0.035165 is 18.0% of average load 0.195358 LDB: Average compute 0.004402 is 2.3% of average load 0.195358 LDB: TIME 9494.49 LOAD: AVG 0.195358 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 9494.49 LOAD: AVG 0.195358 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 9494.49 LOAD: AVG 0.195358 MAX 0.214952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 9494.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9494.5 PRESSURE: 2980400 6.37911 36.9695 -181.837 36.9708 -148.111 34.8342 -181.836 34.8343 25.4997 GPRESSURE: 2980400 18.74 -11.6624 -164.356 38.859 -79.2558 95.8884 -131.801 120.032 16.7152 PRESSAVG: 2980400 -14.563 -19.3155 -4.06627 -19.3154 -5.21843 38.8041 -4.06623 38.8041 -11.4677 GPRESSAVG: 2980400 -14.5064 -18.5771 -3.91144 -16.9514 -4.37323 39.7463 -3.40741 43.0683 -12.9115 TIMING: 2980400 CPU: 9482.36, 0.00324006/step Wall: 9482.36, 0.00324006/step, 1.81767 hours remaining, 240.097656 MB of memory in use. ENERGY: 2980400 3995.0703 20489.4104 14403.3520 272.8019 -203217.6689 2489.6235 0.0000 0.0000 51845.4045 -109722.0062 297.9563 -161567.4108 -109366.3766 298.5512 -38.7441 -14.6002 762401.6340 -10.4164 -10.5970 PRESSURE: 2980600 -16.5493 65.8215 -101.407 65.8208 -100.295 65.4148 -101.408 65.4142 394.925 GPRESSURE: 2980600 33.7569 186.615 -23.8846 -47.326 -56.8132 19.7495 -196.709 137.198 372.284 PRESSAVG: 2980600 28.4108 15.6189 -12.9903 15.6189 -18.515 -23.8411 -12.9904 -23.8411 -13.0453 GPRESSAVG: 2980600 28.1267 13.2992 -13.6441 13.1559 -18.2883 -25.2914 -11.076 -25.4888 -13.3831 TIMING: 2980600 CPU: 9482.99, 0.00313659/step Wall: 9482.99, 0.00313659/step, 1.75945 hours remaining, 240.097656 MB of memory in use. ENERGY: 2980600 4000.7102 20528.3588 14457.2485 243.0840 -203768.2070 2721.3805 0.0000 0.0000 51884.0842 -109933.3409 298.1785 -161817.4251 -109574.1874 298.2094 92.6936 116.4091 760472.2949 -1.0498 -1.1816 PRESSURE: 2980800 308.189 -111.213 -207.035 -111.212 135.46 31.6043 -207.034 31.6047 457.742 GPRESSURE: 2980800 307.982 -82.1537 -282.218 -181.972 164.796 20.11 -241.702 -67.8755 525.647 PRESSAVG: 2980800 24.0237 -83.4244 -22.6719 -83.4244 -43.6323 -0.419787 -22.672 -0.419847 21.3815 GPRESSAVG: 2980800 24.6149 -81.5379 -21.0659 -80.5583 -43.9584 2.03408 -25.2121 -3.82247 21.4131 TIMING: 2980800 CPU: 9483.61, 0.00312764/step Wall: 9483.61, 0.00312764/step, 1.75426 hours remaining, 240.097656 MB of memory in use. ENERGY: 2980800 3904.5550 20419.6035 14435.3635 253.2676 -203913.8643 2959.0655 0.0000 0.0000 52058.3358 -109883.6733 299.1800 -161942.0091 -109522.1777 297.9370 300.4635 332.8084 760724.5382 0.5909 0.6898 PRESSURE: 2981000 -41.3548 139.27 -150.921 139.269 74.543 -12.8533 -150.921 -12.8535 33.8241 GPRESSURE: 2981000 13.8109 217.308 -254.807 99.7169 77.1353 -3.39047 -96.6277 -48.2605 28.2277 PRESSAVG: 2981000 23.203 -29.8756 -10.3446 -29.8756 -19.011 -8.51882 -10.3447 -8.5188 4.45545 GPRESSAVG: 2981000 23.0638 -29.1029 -10.9537 -32.4483 -19.8919 -11.2441 -11.9908 -4.74121 5.38963 TIMING: 2981000 CPU: 9484.24, 0.00312823/step Wall: 9484.24, 0.00312823/step, 1.75442 hours remaining, 240.097656 MB of memory in use. ENERGY: 2981000 3937.5687 20627.6626 14455.5839 262.4701 -203650.4270 2530.3128 0.0000 0.0000 51885.2697 -109951.5591 298.1854 -161836.8288 -109592.4148 298.3918 22.3374 39.7246 761923.1169 2.8825 2.8538 PRESSURE: 2981200 -114.401 -41.9084 -192.579 -41.907 -37.8901 59.8884 -192.579 59.888 175.668 GPRESSURE: 2981200 -77.7433 -34.2503 -157.957 -57.6477 -23.5566 14.2653 -199.788 -123.042 201.437 PRESSAVG: 2981200 36.6916 -3.18575 -61.2774 -3.18571 -32.3326 11.1569 -61.2774 11.1569 3.80119 GPRESSAVG: 2981200 36.8558 -3.99193 -62.2514 -3.63275 -31.4656 11.8018 -59.0673 9.37216 3.15879 TIMING: 2981200 CPU: 9484.87, 0.00313969/step Wall: 9484.87, 0.00313969/step, 1.76067 hours remaining, 240.097656 MB of memory in use. ENERGY: 2981200 3998.9397 20524.1234 14366.7921 228.1808 -203775.0615 3036.7578 0.0000 0.0000 51799.9115 -109820.3563 297.6948 -161620.2677 -109465.9101 297.7525 7.7923 33.3791 762632.4750 2.7201 2.8496 PRESSURE: 2981400 46.0585 245.773 61.8028 245.773 24.1588 -204.434 61.8027 -204.434 -40.065 GPRESSURE: 2981400 31.3267 282.727 14.8303 192.047 53.2738 -227.614 137.128 -189.906 17.2503 PRESSAVG: 2981400 41.7573 -16.9333 -13.2616 -16.9333 -22.2481 11.3707 -13.2617 11.3707 9.9703 GPRESSAVG: 2981400 40.854 -16.3609 -11.8282 -17.0227 -21.391 10.6286 -15.4893 12.1905 9.85075 TIMING: 2981400 CPU: 9485.49, 0.00313377/step Wall: 9485.49, 0.00313377/step, 1.75718 hours remaining, 240.097656 MB of memory in use. ENERGY: 2981400 4018.1995 20690.0639 14390.8334 252.4980 -203634.7313 2595.8362 0.0000 0.0000 51838.2075 -109849.0928 297.9149 -161687.3003 -109494.3643 298.5811 10.0508 33.9503 761325.0149 9.8265 9.7713 PRESSURE: 2981600 -124.871 156.839 224.411 156.839 -171.506 -170.89 224.411 -170.891 -511.788 GPRESSURE: 2981600 -141.69 186.446 95.0305 176.448 -88.9503 -187.839 295.626 -88.9743 -480.755 PRESSAVG: 2981600 52.2609 11.7095 -41.5352 11.7095 -84.0766 -33.9737 -41.5351 -33.9737 9.99585 GPRESSAVG: 2981600 52.258 10.8951 -43.5521 12.0218 -84.7644 -33.911 -39.5366 -35.19 10.6026 TIMING: 2981600 CPU: 9486.12, 0.00314252/step Wall: 9486.12, 0.00314252/step, 1.76191 hours remaining, 240.097656 MB of memory in use. ENERGY: 2981600 3958.6693 20557.9003 14516.7308 237.8191 -203234.9416 2381.8101 0.0000 0.0000 51826.5304 -109755.4817 297.8478 -161582.0121 -109396.1669 298.4564 -269.3884 -237.1317 763332.9066 -7.2733 -7.3012 PRESSURE: 2981800 18.877 266.677 -22.554 266.677 -287.07 33.1436 -22.5541 33.1436 -226.496 GPRESSURE: 2981800 42.5725 264.337 35.2635 259.512 -200.838 20.7307 -68.571 -48.9045 -266.91 PRESSAVG: 2981800 -20.9878 8.35798 -11.5347 8.358 20.877 -53.0605 -11.5347 -53.0605 -9.84 GPRESSAVG: 2981800 -19.9615 8.23248 -10.7486 10.5172 19.9767 -52.6975 -9.8909 -51.5738 -10.2043 TIMING: 2981800 CPU: 9486.75, 0.00313895/step Wall: 9486.75, 0.00313895/step, 1.75973 hours remaining, 240.097656 MB of memory in use. ENERGY: 2981800 4008.2365 20609.2279 14505.1474 255.7464 -203734.5049 2654.2226 0.0000 0.0000 52146.4861 -109555.4379 299.6866 -161701.9240 -109187.9331 299.2403 -164.8963 -141.7251 762658.4524 -3.3169 -3.3963 PRESSURE: 2982000 299.645 32.0324 -11.6772 32.0329 -173.115 70.5452 -11.6761 70.5454 -152.014 GPRESSURE: 2982000 322.86 42.2134 -22.8506 35.6261 -191.776 68.0818 -64.5329 -80.8344 -78.7959 PRESSAVG: 2982000 -21.9116 1.72518 -23.5339 1.72529 8.04001 32.1678 -23.5338 32.1678 -6.08383 GPRESSAVG: 2982000 -22.4677 3.43477 -24.4426 0.847393 8.06576 32.5246 -26.0613 29.5399 -5.13774 TIMING: 2982000 CPU: 9487.38, 0.00315902/step Wall: 9487.38, 0.00315902/step, 1.77081 hours remaining, 240.097656 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: 2982000 4023.0224 20612.0710 14513.8172 252.0449 -203649.4872 2811.5209 0.0000 0.0000 52089.6668 -109347.3441 299.3600 -161437.0110 -108992.6633 299.5471 -8.4945 17.4294 762331.3084 -6.6518 -6.5132 PRESSURE: 2982200 188.928 125.426 -92.5473 125.426 62.9524 134.769 -92.5475 134.77 -318.085 GPRESSURE: 2982200 174.963 37.2833 -138.736 130.914 132.749 139.412 -77.6142 121.986 -305.155 PRESSAVG: 2982200 30.3603 -7.58428 -48.7356 -7.58426 -11.8277 -5.18443 -48.7356 -5.18444 4.63686 GPRESSAVG: 2982200 29.7531 -10.8384 -49.4026 -8.39709 -10.5114 -6.43487 -46.9448 -2.62076 3.62732 TIMING: 2982200 CPU: 9488.01, 0.00312847/step Wall: 9488.01, 0.00312847/step, 1.75351 hours remaining, 240.097656 MB of memory in use. ENERGY: 2982200 3985.3830 20680.0801 14532.1164 251.0362 -203268.0508 2409.7434 0.0000 0.0000 51884.1438 -109525.5479 298.1789 -161409.6917 -109163.4935 299.4605 -22.0679 0.8522 762227.6875 7.7231 7.6230 PRESSURE: 2982400 -428.422 176.535 -39.615 176.535 -470.663 -131.285 -39.6159 -131.285 -470.851 GPRESSURE: 2982400 -342.179 233.333 20.9342 207.035 -395.977 -109.181 -13.3224 -162.749 -556.682 PRESSAVG: 2982400 37.9596 5.07027 29.7689 5.07027 -7.90799 9.35831 29.7689 9.35835 0.404796 GPRESSAVG: 2982400 38.3607 7.86861 31.0151 4.39888 -9.94856 11.5074 27.4781 7.39951 1.37791 TIMING: 2982400 CPU: 9488.64, 0.00317055/step Wall: 9488.64, 0.00317055/step, 1.77692 hours remaining, 240.097656 MB of memory in use. ENERGY: 2982400 4039.3508 20485.0609 14580.8043 244.9822 -203140.8051 2170.1625 0.0000 0.0000 52122.1430 -109498.3013 299.5467 -161620.4443 -109133.0007 299.3473 -456.6453 -431.6129 761521.2228 10.1521 9.9300 PRESSURE: 2982600 117.952 138.193 83.4739 138.193 117.568 -260.162 83.4733 -260.162 378.253 GPRESSURE: 2982600 136.991 118.91 122.878 130.38 166.725 -271.319 -63.4247 -234.444 393.665 PRESSAVG: 2982600 26.9024 -10.2637 -7.24309 -10.2637 -54.4752 -16.5049 -7.24308 -16.5049 -22.5106 GPRESSAVG: 2982600 26.2108 -8.84926 -6.79936 -8.03458 -52.6227 -16.6167 -7.49235 -14.7085 -23.6357 TIMING: 2982600 CPU: 9489.27, 0.00314126/step Wall: 9489.27, 0.00314126/step, 1.76032 hours remaining, 240.097656 MB of memory in use. ENERGY: 2982600 3839.2878 20737.1443 14475.6278 254.0434 -203685.3449 2730.1785 0.0000 0.0000 52042.6856 -109606.3774 299.0900 -161649.0630 -109252.2843 299.0386 204.5912 232.4602 761446.3224 -16.6945 -16.6825 PRESSURE: 2982800 88.652 -73.3664 -159.109 -73.3658 -30.1247 -203.197 -159.109 -203.196 152.099 GPRESSURE: 2982800 117.693 -15.4775 -177.631 -189.678 -29.9084 -240.896 -216.307 -160.971 207.522 PRESSAVG: 2982800 -19.3225 -7.49479 -38.2004 -7.49476 -30.8412 -12.891 -38.2004 -12.891 34.6611 GPRESSAVG: 2982800 -19.2847 -9.32975 -38.8411 -9.41466 -32.1316 -15.9302 -38.1352 -12.569 35.5696 TIMING: 2982800 CPU: 9489.9, 0.00313913/step Wall: 9489.9, 0.00313913/step, 1.75896 hours remaining, 240.097656 MB of memory in use. ENERGY: 2982800 4019.8262 20508.8060 14443.9283 240.5321 -203255.9937 2513.3342 0.0000 0.0000 51950.5211 -109579.0457 298.5604 -161529.5668 -109208.4001 298.7802 70.2088 98.4352 759835.5920 -5.1675 -5.2822 PRESSURE: 2983000 47.3529 185.765 96.5051 185.764 -110.932 -175.824 96.5057 -175.825 31.438 GPRESSURE: 2983000 31.7271 106.068 74.0608 68.9151 -76.7801 -197.832 35.5927 -218.485 104.4 PRESSAVG: 2983000 63.2897 -24.7911 11.5648 -24.7911 -85.0508 -15.3033 11.5648 -15.3033 -30.0971 GPRESSAVG: 2983000 62.4738 -23.5119 11.7181 -24.8753 -85.1611 -13.7674 12.2508 -15.836 -29.8275 TIMING: 2983000 CPU: 9490.53, 0.00313328/step Wall: 9490.53, 0.00313328/step, 1.75551 hours remaining, 240.097656 MB of memory in use. ENERGY: 2983000 3977.5430 20437.9122 14461.2314 244.6120 -203330.7462 2657.8620 0.0000 0.0000 52018.1845 -109533.4012 298.9492 -161551.5856 -109184.5294 299.0251 -10.7138 19.7824 762086.3633 -17.2861 -17.5049 PRESSURE: 2983200 -190.576 112.065 -274.757 112.065 57.9848 -12.4223 -274.756 -12.4227 -254.819 GPRESSURE: 2983200 -73.5593 60.2569 -208.859 49.3094 -14.6077 -62.5138 -287.263 39.1878 -203.81 PRESSAVG: 2983200 44.7663 -22.2182 18.0106 -22.2182 -79.1354 -16.0034 18.0106 -16.0033 19.4565 GPRESSAVG: 2983200 45.0145 -23.5224 17.8452 -21.3607 -78.5029 -16.2368 20.2843 -15.8225 19.131 TIMING: 2983200 CPU: 9491.15, 0.00313896/step Wall: 9491.15, 0.00313896/step, 1.75852 hours remaining, 240.097656 MB of memory in use. ENERGY: 2983200 3946.2659 20538.7221 14583.3605 251.7419 -203446.1754 2608.0060 0.0000 0.0000 51629.4972 -109888.5818 296.7154 -161518.0790 -109539.2571 298.1484 -129.1366 -97.3257 760385.4527 -4.9709 -4.7858 PRESSURE: 2983400 368.263 198.183 -310.107 198.183 442.465 73.7614 -310.108 73.7615 -69.7773 GPRESSURE: 2983400 377.06 196.835 -350.459 96.4226 468.835 140.199 -270.011 105.417 -23.2325 PRESSAVG: 2983400 38.2493 -25.7929 -82.2453 -25.7929 -11.599 -29.5303 -82.2453 -29.5303 -20.9771 GPRESSAVG: 2983400 38.6605 -25.3021 -81.5545 -24.2789 -12.1055 -29.2161 -83.6193 -30.4544 -20.9299 TIMING: 2983400 CPU: 9491.78, 0.00315193/step Wall: 9491.78, 0.00315193/step, 1.7656 hours remaining, 240.097656 MB of memory in use. ENERGY: 2983400 3957.8805 20472.2570 14431.0274 250.8504 -203725.1705 2787.1232 0.0000 0.0000 52068.1588 -109757.8733 299.2364 -161826.0320 -109394.1712 298.5750 246.9835 274.2208 760937.3508 1.8911 1.8750 PRESSURE: 2983600 -292.069 -71.1502 1.38945 -71.1505 -165.745 -45.8076 1.38941 -45.8071 227.594 GPRESSURE: 2983600 -233.677 -64.348 69.6703 -154.166 -154.832 -58.3499 13.983 -21.7789 246.348 PRESSAVG: 2983600 29.0574 11.3868 -13.2772 11.3868 12.5031 3.29909 -13.2772 3.29913 16.8146 GPRESSAVG: 2983600 28.4704 9.75742 -13.4899 10.2964 12.0263 2.9946 -14.9747 3.20064 17.1586 TIMING: 2983600 CPU: 9492.42, 0.00318458/step Wall: 9492.42, 0.00318458/step, 1.78372 hours remaining, 240.097656 MB of memory in use. ENERGY: 2983600 4028.6515 20369.8173 14482.3492 269.2020 -203449.0028 2642.7281 0.0000 0.0000 51836.7271 -109819.5276 297.9064 -161656.2547 -109462.1867 298.9203 -76.7399 -47.3867 761385.3272 19.4583 19.2184 PRESSURE: 2983800 405.134 -18.3628 -92.286 -18.3634 -2.80487 -61.7835 -92.2865 -61.7841 -19.2928 GPRESSURE: 2983800 392.551 44.9875 -199.026 19.7328 -6.30521 -150.57 -61.5983 -138.313 79.1031 PRESSAVG: 2983800 -5.78815 -21.0043 -2.3096 -21.0043 27.7459 35.3636 -2.3096 35.3636 2.71194 GPRESSAVG: 2983800 -6.3748 -19.2757 -2.98851 -21.6464 28.395 34.632 -0.0982663 34.9508 2.23946 TIMING: 2983800 CPU: 9493.06, 0.00317267/step Wall: 9493.06, 0.00317267/step, 1.77687 hours remaining, 240.097656 MB of memory in use. ENERGY: 2983800 3976.9588 20497.8048 14441.5817 263.4624 -203540.1282 2568.7428 0.0000 0.0000 51961.3018 -109830.2758 298.6223 -161791.5776 -109465.2175 298.7521 127.6787 155.1163 760280.8895 8.2232 8.0865 PRESSURE: 2984000 171.755 141.122 56.307 141.121 357.103 94.0635 56.3076 94.0621 215.99 GPRESSURE: 2984000 245.959 77.5554 8.42302 110.866 401.738 48.5077 38.4145 38.1931 184.414 PRESSAVG: 2984000 -3.74738 -21.6013 -35.1151 -21.6013 -17.2653 -1.59702 -35.1152 -1.59704 -31.9411 GPRESSAVG: 2984000 -4.47179 -21.0555 -35.9794 -21.1082 -16.2447 -1.38811 -36.0523 -0.155038 -32.5581 TIMING: 2984000 CPU: 9493.69, 0.00315651/step Wall: 9493.69, 0.00315651/step, 1.76765 hours remaining, 240.097656 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: 2984000 3959.4689 20492.9557 14398.1125 247.9637 -203118.5872 2547.4859 0.0000 0.0000 51867.6325 -109604.9681 298.0840 -161472.6006 -109239.4121 298.0128 248.2830 277.3703 762645.4346 -17.6513 -17.7582 PRESSURE: 2984200 296.056 154.645 -29.8765 154.645 -285.218 -28.6017 -29.8763 -28.6016 -540.447 GPRESSURE: 2984200 157.308 140.544 -23.1421 207.441 -166.533 8.26225 -1.80564 49.6548 -425.35 PRESSAVG: 2984200 -24.4189 53.3983 -7.70918 53.3983 -38.7966 -0.342862 -7.70918 -0.342846 -6.25082 GPRESSAVG: 2984200 -22.8842 51.0428 -6.51751 51.425 -41.6475 1.02637 -7.97043 -0.8671 -5.19637 TIMING: 2984200 CPU: 9494.32, 0.00315018/step Wall: 9494.32, 0.00315018/step, 1.76393 hours remaining, 240.097656 MB of memory in use. ENERGY: 2984200 4105.9453 20513.1351 14374.6502 254.5609 -203186.5505 2299.4080 0.0000 0.0000 52185.7377 -109453.1132 299.9122 -161638.8510 -109095.1526 299.1747 -176.5365 -144.8581 761480.4120 -23.1555 -23.2427 LDB: ============= START OF LOAD BALANCING ============== 9506.77 LDB: ============== END OF LOAD BALANCING =============== 9506.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9506.77 LDB: ============= START OF LOAD BALANCING ============== 9507.09 LDB: Largest compute 7056 load 0.036924 is 18.9% of average load 0.195259 LDB: Average compute 0.004374 is 2.2% of average load 0.195259 LDB: TIME 9507.09 LOAD: AVG 0.195259 MAX 0.21545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 9507.09 LOAD: AVG 0.195259 MAX 0.21545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: TIME 9507.09 LOAD: AVG 0.195259 MAX 0.21545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: ============== END OF LOAD BALANCING =============== 9507.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9507.1 PRESSURE: 2984400 -399.523 -67.5497 -153.221 -67.5505 13.9403 166.145 -153.22 166.147 151.671 GPRESSURE: 2984400 -326.248 -39.2748 -117.989 -57.6339 55.3881 138.325 -218.521 -56.1226 109.769 PRESSAVG: 2984400 23.9513 -18.4947 15.6317 -18.4947 12.5088 -12.3995 15.6317 -12.3995 -21.1644 GPRESSAVG: 2984400 23.4736 -16.0119 15.7961 -18.7097 13.6871 -15.5854 16.0007 -11.7531 -22.447 TIMING: 2984400 CPU: 9494.96, 0.00324154/step Wall: 9494.96, 0.00324154/step, 1.8149 hours remaining, 241.117188 MB of memory in use. ENERGY: 2984400 4029.6023 20581.5457 14504.7270 246.9809 -203197.1309 2136.3149 0.0000 0.0000 52056.3485 -109641.6117 299.1686 -161697.9602 -109266.7867 299.2451 -77.9704 -53.6971 760541.0993 5.0986 4.9046 PRESSURE: 2984600 379.182 29.5553 34.867 29.5553 -291.799 110.714 34.8664 110.714 -21.638 GPRESSURE: 2984600 400.335 26.6851 111.369 3.50239 -364.793 96.0684 130.018 186.36 133.858 PRESSAVG: 2984600 5.52144 -30.3334 65.6436 -30.3334 6.25362 -14.8287 65.6436 -14.8287 -10.209 GPRESSAVG: 2984600 4.79736 -32.0287 64.661 -28.257 5.35338 -14.4544 65.8804 -16.9241 -8.30804 TIMING: 2984600 CPU: 9495.6, 0.00316925/step Wall: 9495.6, 0.00316925/step, 1.77425 hours remaining, 241.320312 MB of memory in use. ENERGY: 2984600 3930.6385 20637.1862 14459.4016 238.8577 -203725.7574 2454.4503 0.0000 0.0000 52071.4746 -109933.7484 299.2555 -162005.2230 -109566.0847 298.8807 21.9150 56.4665 759897.8380 0.5220 0.6142 PRESSURE: 2984800 51.7815 -86.6424 22.7625 -86.6424 85.2868 30.0939 22.7623 30.0926 80.8859 GPRESSURE: 2984800 23.3826 -56.0774 -87.9511 -105.421 182.313 50.2548 62.058 -42.9315 106.528 PRESSAVG: 2984800 26.5105 12.4028 21.2214 12.4028 -42.4471 24.1973 21.2214 24.1972 -13.6938 GPRESSAVG: 2984800 27.2153 12.3002 22.1032 12.2806 -42.2763 25.8101 20.2145 23.516 -14.1993 TIMING: 2984800 CPU: 9496.23, 0.00315113/step Wall: 9496.23, 0.00315113/step, 1.76393 hours remaining, 241.320312 MB of memory in use. ENERGY: 2984800 3935.2937 20553.1809 14489.7668 251.6338 -203200.5900 2362.7608 0.0000 0.0000 51768.9716 -109838.9825 297.5170 -161607.9540 -109485.2282 298.4423 72.6514 104.0745 760286.6812 -9.8768 -9.7534 PRESSURE: 2985000 -139.768 -3.73274 47.5891 -3.73341 -269.686 111.119 47.5903 111.119 285.651 GPRESSURE: 2985000 -182.925 -41.7025 83.8728 86.0046 -172.626 81.6494 -41.1987 178.732 298.558 PRESSAVG: 2985000 -23.4008 -80.6153 9.56177 -80.6152 1.06197 21.3034 9.5618 21.3034 8.29677 GPRESSAVG: 2985000 -23.7968 -80.65 10.2341 -80.5089 1.32115 21.6298 9.29228 21.3153 8.23727 TIMING: 2985000 CPU: 9496.86, 0.00315612/step Wall: 9496.86, 0.00315612/step, 1.76655 hours remaining, 241.320312 MB of memory in use. ENERGY: 2985000 4015.6464 20612.7164 14492.8414 247.7297 -203314.9820 2327.8205 0.0000 0.0000 52007.3527 -109610.8749 298.8870 -161618.2276 -109240.7184 298.2627 -41.2676 -18.9973 763208.4713 -4.6807 -4.7461 PRESSURE: 2985200 9.36158 -51.0518 96.1511 -51.0515 15.3565 133.383 96.1513 133.384 -240.992 GPRESSURE: 2985200 68.1131 -110.568 87.6207 -39.6452 98.6948 149.052 120.96 182.937 -314.048 PRESSAVG: 2985200 -12.0053 -24.4765 62.886 -24.4765 -4.83897 -0.652295 62.886 -0.652253 -12.1806 GPRESSAVG: 2985200 -10.1946 -25.7954 61.0217 -26.9737 -3.55103 -1.29668 64.2605 1.77009 -14.9214 TIMING: 2985200 CPU: 9497.49, 0.00315517/step Wall: 9497.49, 0.00315517/step, 1.76584 hours remaining, 241.320312 MB of memory in use. ENERGY: 2985200 4019.7169 20682.7868 14422.8027 255.2443 -203291.6908 2366.7146 0.0000 0.0000 52164.1668 -109380.2587 299.7882 -161544.4255 -109013.4629 299.3890 -72.0912 -49.0799 762568.5948 -9.6749 -9.5557 PRESSURE: 2985400 -110.883 84.3755 258.729 84.3766 -467.997 -69.0347 258.729 -69.0344 -274.002 GPRESSURE: 2985400 -125.393 -10.8186 295.746 162.189 -443.741 -22.9386 205.956 -144.851 -192.011 PRESSAVG: 2985400 3.39146 -30.5798 69.5159 -30.5799 -15.1277 39.6708 69.5159 39.6708 14.9682 GPRESSAVG: 2985400 1.96178 -29.0533 71.056 -30.5206 -16.4129 40.4283 68.1148 37.4158 17.33 TIMING: 2985400 CPU: 9498.12, 0.00314218/step Wall: 9498.12, 0.00314218/step, 1.7584 hours remaining, 241.320312 MB of memory in use. ENERGY: 2985400 3968.2018 20578.3213 14480.0700 242.1047 -203082.2071 2156.3915 0.0000 0.0000 52062.7854 -109594.3324 299.2055 -161657.1178 -109233.5245 299.6487 -284.2941 -253.7152 762891.3064 1.0773 0.9596 PRESSURE: 2985600 187.06 41.8441 -2.64184 41.8438 149.027 -134.544 -2.64211 -134.545 -30.1937 GPRESSURE: 2985600 304.71 112.93 -35.8741 88.8966 175.257 -197.426 70.3988 -126.417 -74.1418 PRESSAVG: 2985600 39.784 -39.6337 -8.65196 -39.6337 -38.5496 2.50439 -8.65201 2.50437 -1.94214 GPRESSAVG: 2985600 38.2872 -38.3972 -10.1467 -37.1741 -37.3654 1.77767 -7.92654 2.82056 -1.58137 TIMING: 2985600 CPU: 9498.75, 0.00316355/step Wall: 9498.75, 0.00316356/step, 1.77018 hours remaining, 241.320312 MB of memory in use. ENERGY: 2985600 4019.5846 20551.1023 14465.5557 233.2123 -203493.5377 2635.3183 0.0000 0.0000 52089.7343 -109499.0302 299.3604 -161588.7645 -109137.0824 299.0821 101.9643 135.2752 761476.8489 -0.2359 -0.2199 PRESSURE: 2985800 -225.81 -49.2498 4.91178 -49.2504 -67.9009 81.0172 4.9112 81.0173 -4.36891 GPRESSURE: 2985800 -190.714 -54.0187 -13.1252 -130.472 -57.196 31.5293 -2.15433 277.757 39.7445 PRESSAVG: 2985800 -27.5111 -40.3642 55.8631 -40.3641 -4.84967 35.2276 55.8631 35.2275 -5.04694 GPRESSAVG: 2985800 -26.3425 -40.9192 55.1991 -40.4096 -5.26602 34.3869 58.3125 35.0849 -6.04016 TIMING: 2985800 CPU: 9499.38, 0.00313348/step Wall: 9499.38, 0.00313348/step, 1.75318 hours remaining, 241.320312 MB of memory in use. ENERGY: 2985800 4031.8718 20702.6939 14506.7159 238.1469 -202838.0025 2228.9042 0.0000 0.0000 51778.9059 -109350.7640 297.5741 -161129.6699 -108998.4113 299.0180 -99.3600 -69.3885 762384.5616 -12.4692 -12.5496 PRESSURE: 2986000 -11.7911 -171.99 -67.2717 -171.99 -178.716 -416.842 -67.2719 -416.842 222.889 GPRESSURE: 2986000 -2.18942 -119.287 4.39857 -194.845 -86.9419 -388.82 22.2018 -283.784 203.736 PRESSAVG: 2986000 54.758 -5.1068 3.9824 -5.1068 -41.6903 17.4313 3.98243 17.4312 15.0006 GPRESSAVG: 2986000 54.7668 -6.37615 5.34369 -5.71837 -41.0677 18.272 0.382239 19.3677 14.9091 TIMING: 2986000 CPU: 9500.01, 0.00313387/step Wall: 9500.01, 0.00313387/step, 1.75323 hours remaining, 241.320312 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: 2986000 4007.3738 20571.4416 14498.7777 255.3062 -203256.0697 2556.0007 0.0000 0.0000 52153.1943 -109213.9754 299.7251 -161367.1696 -108861.5576 299.4543 10.7938 38.2014 760719.7351 9.3561 9.5361 PRESSURE: 2986200 -64.4715 -18.1097 45.4697 -18.1092 -47.4632 -40.0469 45.4694 -40.0487 -369.189 GPRESSURE: 2986200 -86.7802 -128.09 92.6172 9.04508 0.682138 -74.8858 79.9976 -31.9014 -320.749 PRESSAVG: 2986200 75.3848 -32.7965 1.21489 -32.7965 -40.0461 22.4217 1.21493 22.4217 6.5758 GPRESSAVG: 2986200 75.8035 -32.9659 1.79077 -33.3845 -39.545 22.354 2.96766 20.9031 5.46766 TIMING: 2986200 CPU: 9500.63, 0.00314234/step Wall: 9500.63, 0.00314234/step, 1.75779 hours remaining, 241.320312 MB of memory in use. ENERGY: 2986200 4028.8918 20422.1426 14543.6497 262.3396 -203325.8048 2445.8358 0.0000 0.0000 52362.8387 -109260.1066 300.9300 -161622.9453 -108889.7174 299.7244 -160.3745 -135.6156 762079.2276 13.9715 13.9087 PRESSURE: 2986400 36.9202 91.3418 204.326 91.3427 222.581 188.634 204.325 188.635 -207.906 GPRESSURE: 2986400 84.0119 53.4564 205.686 46.3518 301.917 70.2416 9.29164 201.031 -250.223 PRESSAVG: 2986400 24.8138 -20.5315 7.11343 -20.5314 -22.5802 60.2288 7.11344 60.2287 -4.64211 GPRESSAVG: 2986400 23.9785 -20.52 7.37353 -18.9051 -23.2708 60.8207 5.51751 60.2605 -3.22112 TIMING: 2986400 CPU: 9501.26, 0.00312618/step Wall: 9501.26, 0.00312618/step, 1.74858 hours remaining, 241.320312 MB of memory in use. ENERGY: 2986400 3932.5913 20427.6821 14451.7453 248.2250 -202995.5936 2302.0779 0.0000 0.0000 52335.4299 -109297.8422 300.7724 -161633.2721 -108920.7364 299.9180 17.1983 45.2354 761949.0050 -0.8028 -0.8378 PRESSURE: 2986600 -46.1274 -39.6714 -97.419 -39.6712 -26.4204 -64.2289 -97.4199 -64.2291 -40.4191 GPRESSURE: 2986600 -50.9004 -76.6191 -110.374 112.113 23.9089 15.6283 -1.37508 -102.311 0.48847 PRESSAVG: 2986600 32.3538 -11.3756 -37.9887 -11.3755 2.45488 2.28969 -37.9887 2.28971 6.01188 GPRESSAVG: 2986600 32.3276 -10.565 -38.5393 -12.9803 3.04168 1.95196 -37.8036 2.54012 5.39434 TIMING: 2986600 CPU: 9501.89, 0.00314191/step Wall: 9501.89, 0.00314191/step, 1.7572 hours remaining, 241.320312 MB of memory in use. ENERGY: 2986600 4017.7054 20512.6443 14467.4970 247.6292 -202788.4317 2214.3451 0.0000 0.0000 52089.0261 -109239.5847 299.3563 -161328.6108 -108881.7988 299.5879 -37.6556 -8.8344 761351.5535 13.6069 13.5879 PRESSURE: 2986800 -97.4999 77.7823 -256.46 77.782 -251.199 168.273 -256.461 168.273 -214.856 GPRESSURE: 2986800 -117.932 -11.0177 -221.314 65.7805 -158.318 96.2849 -317.755 113.008 -196.79 PRESSAVG: 2986800 7.95059 27.9857 9.78499 27.9857 -10.7473 4.65332 9.785 4.65329 19.6117 GPRESSAVG: 2986800 8.74566 28.7931 9.69696 28.3927 -11.7688 4.22387 9.9798 4.52611 19.7951 TIMING: 2986800 CPU: 9502.52, 0.00316127/step Wall: 9502.52, 0.00316127/step, 1.76785 hours remaining, 241.320312 MB of memory in use. ENERGY: 2986800 3980.9937 20618.7683 14404.5353 251.1683 -203065.7203 2364.8976 0.0000 0.0000 52057.6029 -109387.7542 299.1758 -161445.3571 -109032.4028 299.4864 -187.8515 -157.6801 762904.8077 5.6050 5.5907 PRESSURE: 2987000 -186.121 260.448 29.9945 260.448 -165.687 21.3251 29.9938 21.3243 -122.766 GPRESSURE: 2987000 -125.801 222.066 17.182 157.071 -182.98 -26.0607 32.1061 -20.4432 -72.7642 PRESSAVG: 2987000 20.8688 26.5187 -6.62938 26.5188 -14.399 13.1099 -6.62938 13.1098 -17.2806 GPRESSAVG: 2987000 19.8632 24.6123 -5.68261 26.66 -12.8333 12.8867 -6.33975 14.8038 -17.6307 TIMING: 2987000 CPU: 9503.15, 0.00313207/step Wall: 9503.15, 0.00313207/step, 1.75135 hours remaining, 241.320312 MB of memory in use. ENERGY: 2987000 4027.6609 20499.4804 14432.8593 255.9873 -203182.8087 2385.5962 0.0000 0.0000 52009.7851 -109571.4396 298.9009 -161581.2247 -109195.7250 299.2821 -158.1912 -127.1818 760753.0755 -3.6036 -3.5336 PRESSURE: 2987200 -72.2686 -62.6122 -78.7736 -62.6106 24.0964 -125.984 -78.773 -125.985 174.419 GPRESSURE: 2987200 22.8718 -98.8107 23.6967 -76.7098 68.0634 -123.397 -105.116 -77.1934 121.727 PRESSAVG: 2987200 52.0524 -33.7015 29.9282 -33.7015 -18.732 20.5381 29.9282 20.5382 -1.27904 GPRESSAVG: 2987200 52.0559 -33.3629 28.9436 -33.9567 -19.0295 21.9172 29.0805 19.8512 -0.906076 TIMING: 2987200 CPU: 9503.77, 0.00312516/step Wall: 9503.77, 0.00312516/step, 1.74731 hours remaining, 241.320312 MB of memory in use. ENERGY: 2987200 4046.7830 20387.5912 14417.4744 254.7610 -203458.4243 2731.0331 0.0000 0.0000 52022.1740 -109598.6075 298.9721 -161620.7816 -109239.0564 298.6747 42.0821 70.8872 760836.6986 10.6804 10.7068 PRESSURE: 2987400 -243.048 -62.2965 -226.023 -62.2963 16.6385 207.162 -226.023 207.162 -38.6576 GPRESSURE: 2987400 -94.3541 23.3346 -255.786 -59.7357 -40.7243 103.266 -116.561 214.337 -38.2102 PRESSAVG: 2987400 -10.4018 -35.1611 6.59929 -35.161 -14.5919 -3.43554 6.59933 -3.43558 -17.3469 GPRESSAVG: 2987400 -9.33083 -35.5272 6.12898 -33.8242 -15.641 -5.84879 8.20397 -1.37365 -17.0321 TIMING: 2987400 CPU: 9504.4, 0.00313587/step Wall: 9504.4, 0.00313587/step, 1.75312 hours remaining, 241.320312 MB of memory in use. ENERGY: 2987400 4045.2539 20540.8574 14504.9848 254.9539 -202996.7094 2328.8695 0.0000 0.0000 52139.4418 -109182.3481 299.6461 -161321.7899 -108822.5800 299.2653 -88.3559 -57.7629 761399.8182 -14.1136 -14.0013 PRESSURE: 2987600 -273.412 -12.4586 -35.746 -12.4594 -83.4868 -108.595 -35.7445 -108.595 -29.9171 GPRESSURE: 2987600 -159.132 -67.7367 -13.4613 -14.9344 -43.7377 -165.104 39.0705 -140.368 -86.324 PRESSAVG: 2987600 14.7581 -11.0075 -20.7968 -11.0075 1.75519 10.8244 -20.7968 10.8245 -5.84573 GPRESSAVG: 2987600 14.096 -10.1592 -19.2618 -9.91763 1.03513 13.462 -21.7811 7.85213 -4.51662 TIMING: 2987600 CPU: 9505.03, 0.00316558/step Wall: 9505.03, 0.00316558/step, 1.76956 hours remaining, 241.320312 MB of memory in use. ENERGY: 2987600 4081.4304 20583.8553 14514.7175 254.4033 -203138.0404 2602.3121 0.0000 0.0000 51903.5993 -109197.7225 298.2907 -161101.3218 -108842.8120 299.3231 -128.9385 -96.3981 761568.4071 3.5558 3.5382 PRESSURE: 2987800 -4.65368 45.2283 -70.2427 45.2286 -91.6725 171.591 -70.2422 171.591 8.12968 GPRESSURE: 2987800 -51.2991 64.5618 -60.4515 10.2877 -71.7936 194.134 -30.7591 -21.2723 114.614 PRESSAVG: 2987800 -11.8065 -19.1479 8.81764 -19.1479 68.0005 -48.3213 8.81756 -48.3214 -3.60909 GPRESSAVG: 2987800 -11.6427 -19.3418 8.10985 -21.8576 68.961 -49.9313 6.6483 -45.4496 -4.30038 TIMING: 2987800 CPU: 9505.67, 0.0031756/step Wall: 9505.67, 0.0031756/step, 1.77498 hours remaining, 241.320312 MB of memory in use. ENERGY: 2987800 3959.6158 20640.9898 14482.4636 241.2105 -202958.7916 2527.8281 0.0000 0.0000 52118.4208 -108988.2629 299.5253 -161106.6837 -108623.9409 299.7884 -29.3988 -2.8262 762245.0270 17.5283 17.6726 PRESSURE: 2988000 225.85 -66.8342 -116.818 -66.8337 336.475 108.428 -116.817 108.427 -106.724 GPRESSURE: 2988000 266.953 -42.1234 -114.724 -57.0434 363.429 169.37 -74.7195 95.6007 -58.622 PRESSAVG: 2988000 -25.4914 -9.4837 -41.7611 -9.48375 14.1903 51.088 -41.761 51.088 -24.8004 GPRESSAVG: 2988000 -25.8345 -8.8014 -42.3983 -6.52714 14.347 51.8484 -40.1422 47.3037 -25.0622 TIMING: 2988000 CPU: 9506.31, 0.00319302/step Wall: 9506.31, 0.00319302/step, 1.78454 hours remaining, 241.320312 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: 2988000 4031.1751 20612.2286 14457.8024 259.4933 -203078.6939 2478.7259 0.0000 0.0000 52316.1472 -108923.1214 300.6616 -161239.2686 -108566.4248 300.3714 151.8671 190.5867 762980.2964 -12.0339 -12.1832 PRESSURE: 2988200 -21.5719 56.0952 -66.8363 56.0949 199.705 -19.0548 -66.8363 -19.0532 144.989 GPRESSURE: 2988200 9.81582 139.045 -65.5946 -10.7651 240.746 -67.9036 84.3753 62.0075 162.276 PRESSAVG: 2988200 -19.7596 -26.5268 -23.2677 -26.5268 35.2616 -21.1529 -23.2677 -21.1529 2.33232 GPRESSAVG: 2988200 -19.5408 -27.627 -21.3795 -25.6064 35.9373 -21.2569 -23.6565 -20.1251 1.93311 TIMING: 2988200 CPU: 9506.94, 0.00315219/step Wall: 9506.94, 0.00315219/step, 1.76155 hours remaining, 241.320312 MB of memory in use. ENERGY: 2988200 4035.3632 20656.0544 14548.1794 240.7792 -203105.7576 2739.8007 0.0000 0.0000 52058.7291 -108826.8517 299.1822 -160885.5808 -108461.9144 300.6491 107.7072 137.6124 762471.0975 5.9448 6.1099 LDB: ============= START OF LOAD BALANCING ============== 9519.39 LDB: ============== END OF LOAD BALANCING =============== 9519.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9519.39 LDB: ============= START OF LOAD BALANCING ============== 9519.7 LDB: Largest compute 7031 load 0.037817 is 19.3% of average load 0.195439 LDB: Average compute 0.004384 is 2.2% of average load 0.195439 LDB: TIME 9519.71 LOAD: AVG 0.195439 MAX 0.218004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.473 MB LDB: TIME 9519.71 LOAD: AVG 0.195439 MAX 0.218004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.473 MB LDB: TIME 9519.71 LOAD: AVG 0.195439 MAX 0.218004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.473 MB LDB: ============== END OF LOAD BALANCING =============== 9519.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9519.71 PRESSURE: 2988400 -74.4791 118.265 134.085 118.265 -62.8622 -204.814 134.085 -204.815 -125.915 GPRESSURE: 2988400 -32.1819 3.45368 133.764 -84.6543 -8.34389 -162.523 167.042 -121.795 -119.934 PRESSAVG: 2988400 -26.5196 2.40248 92.6737 2.40252 1.55294 11.2973 92.6737 11.2973 8.0993 GPRESSAVG: 2988400 -26.4456 4.01208 93.2858 -0.741719 1.1203 10.8086 92.5831 11.8833 8.37418 TIMING: 2988400 CPU: 9507.58, 0.00320813/step Wall: 9507.58, 0.00320813/step, 1.79263 hours remaining, 239.632812 MB of memory in use. ENERGY: 2988400 3992.9179 20496.1074 14526.8624 256.0302 -203059.1729 2521.7536 0.0000 0.0000 52052.5976 -109212.9037 299.1470 -161265.5014 -108845.3085 300.1502 -87.7520 -53.4865 762517.2571 -5.6225 -5.6504 PRESSURE: 2988600 185.352 188.725 34.5158 188.724 -291.945 81.6374 34.5158 81.6378 -140.752 GPRESSURE: 2988600 212.807 153.446 9.13653 170.184 -273.93 83.1787 88.9027 290.567 -122.594 PRESSAVG: 2988600 -24.5966 -29.4432 20.0367 -29.4432 38.9357 -57.273 20.0366 -57.273 -12.1337 GPRESSAVG: 2988600 -23.9487 -30.963 17.4911 -28.9355 38.4069 -56.4506 21.4126 -57.6213 -11.2384 TIMING: 2988600 CPU: 9508.21, 0.00316815/step Wall: 9508.21, 0.00316815/step, 1.77011 hours remaining, 239.835938 MB of memory in use. ENERGY: 2988600 4042.3908 20521.1944 14551.6659 242.9237 -203300.8844 2564.0429 0.0000 0.0000 52240.7990 -109137.8677 300.2286 -161378.6667 -108757.0646 299.4492 -82.4481 -61.2393 760583.9701 0.7352 1.0733 PRESSURE: 2988800 -183.671 -66.7754 283.376 -66.7746 -249.287 38.0935 283.377 38.0938 -274.774 GPRESSURE: 2988800 -112.136 75.9368 294.387 -85.991 -217.717 29.4141 152.822 -62.8429 -302.497 PRESSAVG: 2988800 -19.9694 -4.53261 7.68909 -4.53253 15.522 -29.3132 7.68906 -29.3131 10.3148 GPRESSAVG: 2988800 -20.5792 -4.28372 8.2732 -3.68847 16.6816 -30.8668 7.84958 -29.2185 9.68993 TIMING: 2988800 CPU: 9508.84, 0.00316283/step Wall: 9508.84, 0.00316283/step, 1.76697 hours remaining, 239.835938 MB of memory in use. ENERGY: 2988800 3993.0600 20684.3388 14519.1389 245.7833 -203124.2904 2406.5796 0.0000 0.0000 52067.3631 -109208.0267 299.2319 -161275.3898 -108853.2914 299.7556 -235.9106 -210.7836 761813.9753 1.9558 1.9308 PRESSURE: 2989000 485.573 -74.8237 202.438 -74.8244 63.2615 103.484 202.437 103.485 -77.8488 GPRESSURE: 2989000 459.926 -84.1151 184.854 18.2057 177.195 57.4965 204.135 42.0196 -56.874 PRESSAVG: 2989000 15.0189 -25.167 -10.9073 -25.167 18.3577 -16.7736 -10.9073 -16.7735 -0.44555 GPRESSAVG: 2989000 15.444 -24.3329 -10.6277 -28.0206 18.1837 -16.5333 -10.6447 -17.5785 -0.283786 TIMING: 2989000 CPU: 9509.47, 0.00313791/step Wall: 9509.47, 0.00313791/step, 1.75287 hours remaining, 239.835938 MB of memory in use. ENERGY: 2989000 3910.1673 20641.0049 14475.6579 238.3518 -203179.7378 2546.3456 0.0000 0.0000 52204.9689 -109163.2414 300.0227 -161368.2104 -108789.6749 299.7235 156.9951 193.4160 760606.6033 10.9770 11.1146 PRESSURE: 2989200 32.6812 61.8057 63.6872 61.8065 -246.468 73.7773 63.6875 73.777 -359.969 GPRESSURE: 2989200 83.1231 85.8214 45.5029 69.428 -188.111 29.091 214.619 112.695 -382.469 PRESSAVG: 2989200 -4.9603 -8.97034 8.65258 -8.97031 41.0697 -50.4383 8.65259 -50.4383 26.1011 GPRESSAVG: 2989200 -5.40489 -9.29147 8.90451 -7.52307 41.5719 -49.4654 7.88028 -50.8647 25.9347 TIMING: 2989200 CPU: 9510.1, 0.00314713/step Wall: 9510.1, 0.00314713/step, 1.75785 hours remaining, 239.835938 MB of memory in use. ENERGY: 2989200 3912.0958 20597.6617 14492.7281 266.2594 -203524.2232 2815.8709 0.0000 0.0000 52143.9370 -109295.6705 299.6719 -161439.6075 -108942.8739 299.6945 -191.2519 -162.4856 761186.6411 20.7369 20.7006 PRESSURE: 2989400 -94.6505 -3.04956 -156.755 -3.04966 23.3612 23.9937 -156.754 23.9932 -158.478 GPRESSURE: 2989400 -107.988 49.3987 -139.125 33.6785 -26.0145 -38.6022 -140.505 51.3771 -20.1478 PRESSAVG: 2989400 68.3202 -33.703 39.7362 -33.703 -34.8995 -15.807 39.7363 -15.807 -28.3086 GPRESSAVG: 2989400 68.7407 -34.0822 38.34 -32.2193 -34.8925 -15.5259 40.5247 -16.5674 -28.1954 TIMING: 2989400 CPU: 9510.73, 0.0031589/step Wall: 9510.73, 0.0031589/step, 1.76425 hours remaining, 239.835938 MB of memory in use. ENERGY: 2989400 4011.7353 20613.2621 14466.0863 251.3933 -203501.9758 2649.5028 0.0000 0.0000 52313.3546 -109196.6413 300.6456 -161509.9959 -108834.5079 299.7192 -76.5890 -51.3833 760411.6462 1.7040 1.8843 PRESSURE: 2989600 78.7268 -66.646 -51.6207 -66.6462 235.242 49.8534 -51.6221 49.8543 -12.8068 GPRESSURE: 2989600 217.55 -42.8098 -59.913 -96.1757 205.955 86.2416 -69.5607 11.7635 -24.2363 PRESSAVG: 2989600 18.8337 -100.119 12.9062 -100.119 -52.3029 -5.95258 12.9062 -5.95259 7.81916 GPRESSAVG: 2989600 18.6129 -100.523 13.9173 -101.202 -52.9471 -5.55571 12.0994 -4.43979 8.39954 TIMING: 2989600 CPU: 9511.36, 0.00313476/step Wall: 9511.36, 0.00313476/step, 1.75059 hours remaining, 239.835938 MB of memory in use. ENERGY: 2989600 3978.0926 20541.4757 14541.0348 237.2149 -203452.1884 2582.9175 0.0000 0.0000 52198.8952 -109372.5575 299.9878 -161571.4528 -109010.8893 300.1966 100.3874 133.0895 760443.9642 -8.5500 -8.6449 PRESSURE: 2989800 54.6012 135.4 300.951 135.401 89.7689 168.721 300.952 168.72 260.119 GPRESSURE: 2989800 154.755 67.4131 240.751 49.5314 93.1489 44.5556 145.785 150.905 240.98 PRESSAVG: 2989800 0.184031 35.1804 53.3842 35.1804 -6.76592 11.3722 53.3842 11.3722 1.13128 GPRESSAVG: 2989800 0.707363 36.0748 55.1654 33.3055 -6.75275 9.94169 52.7094 10.3411 0.947115 TIMING: 2989800 CPU: 9511.99, 0.00312948/step Wall: 9511.99, 0.00312948/step, 1.74747 hours remaining, 239.835938 MB of memory in use. ENERGY: 2989800 3951.6898 20643.4822 14448.1005 249.7476 -203781.8889 2923.4433 0.0000 0.0000 52211.1015 -109354.3240 300.0579 -161565.4255 -108995.5494 299.6712 134.8296 162.9614 760350.4463 -1.8169 -1.6994 PRESSURE: 2990000 -211.666 96.542 -86.3481 96.5413 -221.845 60.7585 -86.348 60.7588 36.0936 GPRESSURE: 2990000 -200.259 114.193 45.9874 139.635 -121.568 0.688816 -139.521 45.8392 1.12515 PRESSAVG: 2990000 -23.8703 24.1515 -38.5067 24.1515 47.2551 57.8667 -38.5067 57.8668 -14.5028 GPRESSAVG: 2990000 -23.3015 23.5209 -39.3678 26.2371 47.9925 57.2335 -38.5315 57.7642 -15.4864 TIMING: 2990000 CPU: 9512.61, 0.0031382/step Wall: 9512.61, 0.0031382/step, 1.75216 hours remaining, 239.835938 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: 2990000 4014.3401 20628.1987 14560.3660 251.3072 -203231.2744 2490.2969 0.0000 0.0000 51956.6373 -109330.1282 298.5955 -161286.7655 -108970.9149 299.9209 -132.4726 -106.9009 759602.5189 2.9607 3.0682 PRESSURE: 2990200 83.4264 108.224 220.49 108.223 182.644 39.4457 220.49 39.4448 -226.942 GPRESSURE: 2990200 56.1017 191.109 158.355 82.5025 313.551 95.992 155.375 32.7595 -250.648 PRESSAVG: 2990200 -3.17751 14.9783 -2.7469 14.9782 -23.1093 25.3122 -2.74697 25.3121 -0.148125 GPRESSAVG: 2990200 -3.89512 15.4066 -3.68847 13.8986 -23.168 25.9658 -2.47318 26.8569 0.792044 TIMING: 2990200 CPU: 9513.24, 0.00313521/step Wall: 9513.24, 0.00313521/step, 1.75032 hours remaining, 239.835938 MB of memory in use. ENERGY: 2990200 3976.2964 20677.7273 14544.8795 232.5820 -202912.4099 2360.5986 0.0000 0.0000 51882.5578 -109237.7682 298.1698 -161120.3261 -108881.3408 299.6602 13.0430 39.6682 763221.0069 -8.8116 -8.7570 PRESSURE: 2990400 -3.75375 0.772106 -175.783 0.771783 120.473 155.979 -175.783 155.979 64.7987 GPRESSURE: 2990400 -22.5935 -59.2292 -173.569 -64.5533 152.195 162.829 -225.115 -75.1666 148.597 PRESSAVG: 2990400 22.2828 -1.16382 13.6615 -1.16383 47.5041 -26.0001 13.6615 -26.0001 22.1305 GPRESSAVG: 2990400 22.6544 -1.60159 13.2462 -0.360231 46.8807 -26.6867 13.6166 -25.6777 23.0424 TIMING: 2990400 CPU: 9513.87, 0.00313241/step Wall: 9513.87, 0.00313241/step, 1.74858 hours remaining, 239.835938 MB of memory in use. ENERGY: 2990400 3950.6393 20520.5590 14495.1302 237.6431 -203114.4180 2482.3449 0.0000 0.0000 52137.1232 -109290.9784 299.6328 -161428.1015 -108928.0555 299.6389 60.5061 92.7328 761880.6791 30.6391 30.8591 PRESSURE: 2990600 -55.4931 38.6328 -25.2052 38.6332 -212.025 192.805 -25.2047 192.806 44.7297 GPRESSURE: 2990600 56.3067 -87.6616 -2.11094 114.808 -207.688 87.4766 124.845 247.279 16.7716 PRESSAVG: 2990600 -7.87637 3.93247 -10.1753 3.93243 0.295957 -4.80496 -10.1753 -4.80495 -22.049 GPRESSAVG: 2990600 -6.53967 5.73475 -9.9717 4.79149 -0.0865287 -4.96514 -11.6238 -5.35429 -23.4614 TIMING: 2990600 CPU: 9514.49, 0.003134/step Wall: 9514.49, 0.003134/step, 1.74929 hours remaining, 239.835938 MB of memory in use. ENERGY: 2990600 3912.3775 20301.2203 14489.1645 241.7054 -202903.2011 2498.9765 0.0000 0.0000 52298.9519 -109160.8048 300.5628 -161459.7568 -108800.4825 299.7089 -74.2628 -44.8697 761616.8202 -9.8765 -10.0292 PRESSURE: 2990800 -246.027 106.801 133.653 106.8 -277.473 186.782 133.654 186.782 209.226 GPRESSURE: 2990800 -137.648 25.751 180.278 84.6706 -284.501 214.779 205.113 156.991 203.117 PRESSAVG: 2990800 29.4188 -16.9904 46.6059 -16.9904 -51.8537 51.077 46.606 51.077 28.503 GPRESSAVG: 2990800 29.2235 -18.5049 47.3488 -15.59 -51.6896 51.5764 47.5099 49.6636 28.5134 TIMING: 2990800 CPU: 9515.12, 0.00314215/step Wall: 9515.12, 0.00314215/step, 1.75367 hours remaining, 239.835938 MB of memory in use. ENERGY: 2990800 3918.3868 20522.0143 14479.7826 256.0948 -203107.2196 2612.7083 0.0000 0.0000 52116.5092 -109201.7235 299.5143 -161318.2328 -108844.2482 298.9862 -104.7582 -73.0108 761887.5239 2.0227 2.0157 PRESSURE: 2991000 246.073 15.5698 -32.547 15.5702 -95.4023 16.477 -32.5466 16.4773 181.2 GPRESSURE: 2991000 254.718 27.681 87.2192 -90.2317 -7.89501 31.803 -30.0615 27.0001 173.5 PRESSAVG: 2991000 13.229 -87.1463 -15.1236 -87.1462 -42.5792 2.53396 -15.1237 2.53389 -2.15814 GPRESSAVG: 2991000 13.0031 -88.2854 -13.4098 -90.6276 -42.1985 2.32407 -17.4944 3.51417 -2.06781 TIMING: 2991000 CPU: 9515.75, 0.00312786/step Wall: 9515.75, 0.00312786/step, 1.74552 hours remaining, 239.835938 MB of memory in use. ENERGY: 2991000 3945.2261 20420.3384 14496.9256 242.8280 -203100.1342 2407.2588 0.0000 0.0000 52225.7401 -109361.8171 300.1420 -161587.5572 -108991.7302 299.6503 110.6236 140.1077 761632.2002 -10.5028 -10.4211 PRESSURE: 2991200 -124.562 -268.975 66.2916 -268.976 -494.055 -97.7761 66.2923 -97.7757 -152.296 GPRESSURE: 2991200 -126.667 -173.859 184.145 -200.795 -418.587 -156.583 108.836 -93.9518 -151.199 PRESSAVG: 2991200 24.0681 -66.2498 20.7852 -66.2498 19.2518 21.0164 20.7852 21.0165 12.165 GPRESSAVG: 2991200 25.1966 -64.6905 18.7503 -66.8201 18.955 21.6933 24.7466 19.1086 11.2143 TIMING: 2991200 CPU: 9516.38, 0.00316304/step Wall: 9516.38, 0.00316304/step, 1.76497 hours remaining, 239.835938 MB of memory in use. ENERGY: 2991200 4055.2933 20448.4239 14415.4705 239.2417 -203058.6481 2419.3173 0.0000 0.0000 51977.7063 -109503.1951 298.7166 -161480.9015 -109132.3897 299.4565 -256.9708 -232.1511 761900.7610 18.4949 18.4553 PRESSURE: 2991400 73.6828 -95.9189 -63.9302 -95.9191 96.5068 135.653 -63.9307 135.652 -256.408 GPRESSURE: 2991400 91.9156 -64.6661 -21.7393 -49.0919 85.01 57.5105 95.7838 31.8572 -177.019 PRESSAVG: 2991400 31.6167 -34.5352 -3.24001 -34.5352 -11.0547 42.4158 -3.24005 42.4158 -1.71635 GPRESSAVG: 2991400 30.2997 -35.8847 -3.47345 -31.7657 -9.86514 42.4554 -3.52208 43.8351 -1.20648 TIMING: 2991400 CPU: 9517.02, 0.00318433/step Wall: 9517.02, 0.00318433/step, 1.77668 hours remaining, 239.835938 MB of memory in use. ENERGY: 2991400 3919.6081 20338.9810 14408.7685 249.6828 -203376.4475 2579.6806 0.0000 0.0000 52180.6857 -109699.0408 299.8831 -161879.7265 -109323.1785 299.0302 -28.7394 -0.0312 760889.1850 6.2819 6.4093 PRESSURE: 2991600 75.273 72.4106 45.5478 72.4105 -168.052 179.466 45.5479 179.467 389.642 GPRESSURE: 2991600 168.497 -58.0204 29.604 -51.2616 -97.1284 193.811 83.3711 224.853 343.1 PRESSAVG: 2991600 5.48301 -43.5098 -6.16634 -43.5098 20.9871 -3.80971 -6.16636 -3.8097 7.43126 GPRESSAVG: 2991600 5.66419 -42.7065 -6.25735 -44.5443 21.039 -5.43866 -6.77864 -1.39515 7.37868 TIMING: 2991600 CPU: 9517.65, 0.00316923/step Wall: 9517.65, 0.00316923/step, 1.76808 hours remaining, 239.835938 MB of memory in use. ENERGY: 2991600 3950.7178 20318.7346 14459.3648 247.9453 -203271.6942 2476.0361 0.0000 0.0000 52042.1351 -109776.7607 299.0869 -161818.8957 -109418.2267 298.6231 98.9542 138.1564 761460.8120 11.3005 11.3606 PRESSURE: 2991800 114.177 -60.5165 -59.808 -60.5162 21.2939 -2.68492 -59.808 -2.68485 2.79897 GPRESSURE: 2991800 127.102 -83.5164 -79.2491 -90.1773 34.9087 -60.1303 115.452 -141.565 30.2788 PRESSAVG: 2991800 -7.28673 -68.3679 21.029 -68.3678 11.0917 -54.0671 21.029 -54.0671 13.9716 GPRESSAVG: 2991800 -7.40469 -66.4892 22.4006 -68.8516 10.416 -52.7019 19.8509 -58.4167 14.3863 TIMING: 2991800 CPU: 9518.28, 0.00315409/step Wall: 9518.28, 0.00315409/step, 1.75945 hours remaining, 239.835938 MB of memory in use. ENERGY: 2991800 3904.9592 20373.4455 14516.4344 256.4766 -203396.8386 2517.3792 0.0000 0.0000 51882.7953 -109945.3484 298.1711 -161828.1437 -109591.8753 298.2722 46.0899 64.0966 760415.3673 5.9255 5.7992 PRESSURE: 2992000 -264.561 161.828 -183.435 161.827 -3.3694 -29.7598 -183.434 -29.7585 113.972 GPRESSURE: 2992000 -259.719 296.615 -197.614 156.776 64.601 -0.662547 -248.461 144.799 134.942 PRESSAVG: 2992000 39.5696 56.984 -31.9165 56.9839 -51.1185 39.2151 -31.9165 39.2151 -11.0959 GPRESSAVG: 2992000 39.9871 55.8078 -33.0385 56.6936 -51.1932 39.3897 -30.6011 42.8229 -11.6766 TIMING: 2992000 CPU: 9518.91, 0.00316005/step Wall: 9518.91, 0.00316005/step, 1.76261 hours remaining, 239.835938 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: 2992000 3962.4467 20325.2106 14510.5808 233.6668 -203451.8606 2417.2504 0.0000 0.0000 52008.8103 -109993.8950 298.8953 -162002.7053 -109623.0541 297.9630 -51.3196 -20.0588 760014.2288 -7.5483 -7.6276 PRESSURE: 2992200 -107.832 -395.443 -82.2054 -395.443 -279.306 -198.019 -82.2052 -198.02 -152.355 GPRESSURE: 2992200 -111.781 -280.36 -105.478 -376.128 -224.313 -200.959 -31.1961 -202.794 -116.324 PRESSAVG: 2992200 20.3154 -65.3362 -21.0078 -65.3361 -0.0163438 7.68485 -21.0078 7.68484 21.7273 GPRESSAVG: 2992200 20.107 -64.6537 -22.7509 -65.1513 -0.675527 7.7846 -20.1115 8.64593 22.0956 TIMING: 2992200 CPU: 9519.55, 0.00315995/step Wall: 9519.55, 0.00315995/step, 1.76237 hours remaining, 239.835938 MB of memory in use. ENERGY: 2992200 3883.4813 20179.5289 14457.4305 251.0819 -203244.8597 2351.5408 0.0000 0.0000 52028.1474 -110093.6489 299.0065 -162121.7963 -109723.2239 297.3577 -179.8312 -150.8063 759845.1650 14.0088 13.8423 LDB: ============= START OF LOAD BALANCING ============== 9532 LDB: ============== END OF LOAD BALANCING =============== 9532 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9532 LDB: ============= START OF LOAD BALANCING ============== 9532.32 LDB: Largest compute 7056 load 0.036527 is 18.7% of average load 0.195345 LDB: Average compute 0.004373 is 2.2% of average load 0.195345 LDB: TIME 9532.32 LOAD: AVG 0.195345 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.891 MB LDB: TIME 9532.32 LOAD: AVG 0.195345 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: TIME 9532.32 LOAD: AVG 0.195345 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.891 MB LDB: ============== END OF LOAD BALANCING =============== 9532.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9532.33 PRESSURE: 2992400 -69.1047 175.535 -63.5924 175.535 272.857 -35.218 -63.5916 -35.2177 389.46 GPRESSURE: 2992400 -17.3132 259.786 -33.588 94.0555 311.74 -1.87869 -63.9201 -69.5678 385.821 PRESSAVG: 2992400 4.73452 -10.7266 -14.8743 -10.7266 -19.4205 35.0979 -14.8743 35.0979 -8.62448 GPRESSAVG: 2992400 3.7916 -9.22845 -11.0305 -12.472 -18.5943 34.6177 -17.1694 33.406 -8.31215 TIMING: 2992400 CPU: 9520.19, 0.00324526/step Wall: 9520.19, 0.00324526/step, 1.80977 hours remaining, 241.484375 MB of memory in use. ENERGY: 2992400 4008.0275 20250.1793 14489.9700 234.7360 -203693.6598 2627.5093 0.0000 0.0000 51894.0634 -110189.1742 298.2359 -162083.2376 -109836.3571 297.7136 197.7375 226.7495 760245.2864 -7.7701 -7.7050 PRESSURE: 2992600 418.921 32.1788 -68.9819 32.1787 171.126 164.775 -68.982 164.776 -300.001 GPRESSURE: 2992600 535.431 86.545 -62.3412 79.579 106.626 138.062 -147.393 225.972 -264.188 PRESSAVG: 2992600 20.9457 -13.295 51.5184 -13.2949 -22.4385 12.2179 51.5184 12.2179 -1.85604 GPRESSAVG: 2992600 21.1339 -16.155 49.4357 -9.41526 -21.9645 12.7082 52.9731 12.9258 -2.03685 TIMING: 2992600 CPU: 9520.83, 0.00319191/step Wall: 9520.83, 0.00319191/step, 1.77984 hours remaining, 241.554688 MB of memory in use. ENERGY: 2992600 3909.0228 20495.1639 14480.8175 237.9112 -203336.6853 2311.8385 0.0000 0.0000 51858.2616 -110043.6698 298.0301 -161901.9314 -109681.6182 297.5029 96.6822 125.9565 758908.2757 -1.1163 -0.9558 PRESSURE: 2992800 -104.064 -185.47 -8.89576 -185.47 169.876 62.8689 -8.89594 62.8682 321.8 GPRESSURE: 2992800 -50.0344 -152.098 -16.6928 -168.913 220.7 151.294 24.9148 100.862 294.217 PRESSAVG: 2992800 44.3476 -19.0734 -16.6437 -19.0733 -21.9047 14.2973 -16.6436 14.2974 -3.45 GPRESSAVG: 2992800 45.162 -18.9392 -16.7219 -22.2031 -22.4486 14.8407 -19.1092 13.3612 -4.11267 TIMING: 2992800 CPU: 9521.47, 0.00320517/step Wall: 9521.47, 0.00320517/step, 1.78706 hours remaining, 241.554688 MB of memory in use. ENERGY: 2992800 3940.1557 20552.4937 14465.5766 234.5013 -203656.9465 2663.1144 0.0000 0.0000 51826.1571 -109974.9477 297.8456 -161801.1048 -109618.5863 298.4126 129.2040 154.9609 758488.0640 6.3310 6.2002 PRESSURE: 2993000 69.7726 195.198 292.73 195.199 -404.822 -89.8765 292.729 -89.8768 -247.158 GPRESSURE: 2993000 42.7956 182.494 325.937 200.86 -267.34 -16.5059 236.702 -92.1907 -276.377 PRESSAVG: 2993000 -8.81548 -52.7501 -31.8555 -52.7501 58.0244 21.9671 -31.8556 21.9671 14.167 GPRESSAVG: 2993000 -9.58901 -52.6313 -31.6688 -50.8207 58.282 23.3233 -29.4307 22.0131 14.4406 TIMING: 2993000 CPU: 9522.11, 0.00315983/step Wall: 9522.11, 0.00315983/step, 1.76161 hours remaining, 241.554688 MB of memory in use. ENERGY: 2993000 3853.0740 20233.8385 14524.4669 247.0718 -203051.9657 2087.2264 0.0000 0.0000 52137.2359 -109969.0522 299.6334 -162106.2881 -109591.8579 297.9690 -194.0691 -166.9739 760606.1449 21.1253 21.0445 PRESSURE: 2993200 -226.12 198.847 -144.281 198.846 51.6208 4.74827 -144.281 4.74776 -136.281 GPRESSURE: 2993200 -180.149 170.209 -73.5183 155.719 124.242 101.299 -90.1204 -45.1048 -161.464 PRESSAVG: 2993200 -50.4289 0.917709 -25.3125 0.917639 42.7834 28.3425 -25.3125 28.3424 3.23511 GPRESSAVG: 2993200 -50.0722 1.15717 -24.4539 -0.338007 42.9546 28.1707 -25.8914 28.8494 2.45092 TIMING: 2993200 CPU: 9522.74, 0.00316365/step Wall: 9522.74, 0.00316365/step, 1.76356 hours remaining, 241.554688 MB of memory in use. ENERGY: 2993200 4041.7930 20351.2732 14454.3559 264.6782 -203544.5161 2563.8663 0.0000 0.0000 51704.8586 -110163.6909 297.1485 -161868.5496 -109805.7166 297.7888 -103.5933 -72.4570 759360.0001 -1.4701 -1.5556 PRESSURE: 2993400 -3.55683 32.1807 195.244 32.1808 -135.098 243.642 195.244 243.641 -97.3723 GPRESSURE: 2993400 -53.8396 -39.964 207.481 18.8749 -56.3141 314.546 155.256 163.393 -40.825 PRESSAVG: 2993400 -44.1004 -15.6001 17.8888 -15.6001 45.1527 35.1215 17.8889 35.1215 -4.41499 GPRESSAVG: 2993400 -45.0755 -14.27 17.4917 -15.9747 45.3444 34.6475 17.182 34.5006 -3.67524 TIMING: 2993400 CPU: 9523.37, 0.00314497/step Wall: 9523.37, 0.00314497/step, 1.75297 hours remaining, 241.554688 MB of memory in use. ENERGY: 2993400 4016.6016 20280.9007 14461.3138 266.5513 -203275.2281 2300.6162 0.0000 0.0000 51999.2826 -109949.9620 298.8406 -161949.2446 -109583.1270 297.6532 -78.6759 -50.3262 759965.8465 -1.1209 -1.1355 PRESSURE: 2993600 -255.234 82.7061 -199.343 82.7062 -245.562 68.1435 -199.343 68.1427 -266.018 GPRESSURE: 2993600 -176.505 -20.5286 -199.073 26.2489 -210.098 117.677 -245.168 237.904 -310.504 PRESSAVG: 2993600 -50.1905 -47.9853 4.17397 -47.9853 18.3091 21.3504 4.17405 21.3504 -6.45941 GPRESSAVG: 2993600 -49.688 -49.4202 3.8843 -45.9993 17.9732 20.3451 4.1687 22.8839 -6.80994 TIMING: 2993600 CPU: 9524, 0.00315384/step Wall: 9524, 0.00315384/step, 1.75774 hours remaining, 241.554688 MB of memory in use. ENERGY: 2993600 4006.8861 20452.6648 14434.1329 231.1557 -203457.2981 2535.6575 0.0000 0.0000 51843.9136 -109952.8874 297.9477 -161796.8010 -109590.3596 298.0959 -255.6044 -232.3690 761381.8446 -12.7803 -12.8416 PRESSURE: 2993800 -18.8196 34.161 -143.225 34.1614 -501.109 -97.6777 -143.225 -97.6777 -313.789 GPRESSURE: 2993800 -71.2782 44.6644 -120.793 0.455046 -445.74 -50.5969 -154.391 -120.832 -243.762 PRESSAVG: 2993800 23.895 -13.9514 -34.9608 -13.9514 -4.07639 -31.3582 -34.9608 -31.3582 -19.9023 GPRESSAVG: 2993800 24.0297 -15.1854 -35.0217 -15.9134 -5.0725 -30.6195 -34.0304 -32.5523 -18.7315 TIMING: 2993800 CPU: 9524.63, 0.00314434/step Wall: 9524.63, 0.00314434/step, 1.75227 hours remaining, 241.554688 MB of memory in use. ENERGY: 2993800 3964.5180 20512.2207 14555.4518 251.9262 -203680.4260 2462.2937 0.0000 0.0000 52146.9193 -109787.0962 299.6891 -161934.0155 -109424.6857 298.5400 -277.9057 -253.5933 761695.5811 -0.0279 0.0752 PRESSURE: 2994000 -150.24 5.58267 183.757 5.58328 116.302 -25.7204 183.757 -25.7205 -30.5838 GPRESSURE: 2994000 -110.255 42.9991 265.112 -50.3374 139.923 -68.9462 1.09526 -52.4959 -20.5345 PRESSAVG: 2994000 38.3034 16.1865 -42.0474 16.1865 -60.2123 -85.2848 -42.0474 -85.2849 -3.64701 GPRESSAVG: 2994000 36.6176 18.8672 -40.7782 17.5493 -59.2524 -86.5242 -43.087 -84.5658 -3.50117 TIMING: 2994000 CPU: 9525.26, 0.00314164/step Wall: 9525.26, 0.00314164/step, 1.75059 hours remaining, 241.554688 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: 2994000 3959.5612 20740.3028 14470.4546 259.9734 -203527.1935 2689.0369 0.0000 0.0000 51668.5147 -109739.3499 296.9397 -161407.8646 -109394.3436 299.5221 -21.5073 3.0445 762297.3692 -8.5186 -8.7120 PRESSURE: 2994200 -194.63 -38.6465 -344.971 -38.6465 107.612 -69.7481 -344.971 -69.7494 138.568 GPRESSURE: 2994200 -125.606 2.89795 -371.299 -66.9926 100.056 -69.8088 -300.992 -171.175 167.332 PRESSAVG: 2994200 22.044 12.3807 7.81267 12.3807 -26.7795 66.1003 7.81271 66.1003 9.59781 GPRESSAVG: 2994200 24.0245 13.1515 7.17077 10.1668 -28.0714 67.2268 9.27347 64.496 9.23406 TIMING: 2994200 CPU: 9525.88, 0.00312698/step Wall: 9525.88, 0.00312698/step, 1.74225 hours remaining, 241.554688 MB of memory in use. ENERGY: 2994200 3998.7260 20722.1593 14509.8474 240.2015 -203634.7180 2557.5247 0.0000 0.0000 52122.6075 -109483.6516 299.5493 -161606.2591 -109127.2840 299.0931 17.1831 47.2604 759652.1751 1.6207 1.7291 PRESSURE: 2994400 -132.942 -128.23 131.875 -128.23 490.803 117.258 131.875 117.258 -317.587 GPRESSURE: 2994400 -69.2402 -114.99 139.359 -64.4104 483.383 113.762 26.9084 107.479 -284.934 PRESSAVG: 2994400 18.9192 14.9412 14.8708 14.9411 0.889645 -32.7827 14.8708 -32.7828 12.2824 GPRESSAVG: 2994400 18.2731 14.5191 14.0219 16.1553 2.52132 -34.0538 11.7223 -31.2192 12.2224 TIMING: 2994400 CPU: 9526.51, 0.00313949/step Wall: 9526.51, 0.00313949/step, 1.74905 hours remaining, 241.554688 MB of memory in use. ENERGY: 2994400 4045.5143 20426.1798 14503.4162 231.1428 -203424.5854 2503.7386 0.0000 0.0000 52150.9772 -109563.6165 299.7124 -161714.5937 -109203.7824 299.6818 13.4248 43.0694 760273.3481 10.6971 11.0056 PRESSURE: 2994600 68.7141 -123.973 57.8378 -123.974 -286.368 -10.4982 57.8373 -10.4981 295.789 GPRESSURE: 2994600 146.613 -185.106 47.3863 -67.1971 -275.559 31.8704 105.387 75.1503 311.312 PRESSAVG: 2994600 20.9611 5.28705 19.0026 5.28707 20.4873 21.1817 19.0025 21.1817 -7.96425 GPRESSAVG: 2994600 21.5053 4.01442 20.6756 7.40936 19.6681 22.1135 21.8278 20.8693 -7.83341 TIMING: 2994600 CPU: 9527.14, 0.00315207/step Wall: 9527.14, 0.00315206/step, 1.75587 hours remaining, 241.554688 MB of memory in use. ENERGY: 2994600 3953.9703 20597.0129 14449.4162 244.4126 -203702.8113 2759.4499 0.0000 0.0000 52096.1508 -109602.3986 299.3973 -161698.5494 -109234.4798 300.0337 26.0449 60.7889 760600.3376 11.1614 11.1133 PRESSURE: 2994800 -23.6365 -256.091 -230.993 -256.091 -84.6841 199.743 -230.993 199.744 237.769 GPRESSURE: 2994800 73.5163 -132.158 -164.834 -112.013 -102.327 243.976 -99.5459 200.45 254.132 PRESSAVG: 2994800 14.3369 -27.8577 60.8943 -27.8578 -56.4063 -3.91463 60.8943 -3.91466 0.839095 GPRESSAVG: 2994800 13.1462 -28.5943 58.5093 -29.0957 -55.7574 -2.45955 61.9444 -4.68242 1.0884 TIMING: 2994800 CPU: 9527.77, 0.00313/step Wall: 9527.77, 0.00313001/step, 1.74341 hours remaining, 241.554688 MB of memory in use. ENERGY: 2994800 4016.6361 20479.8876 14489.4322 244.4195 -203815.9485 2652.9105 0.0000 0.0000 52247.0223 -109685.6403 300.2644 -161932.6625 -109321.3666 299.6174 43.1494 75.1072 761352.9314 -13.7434 -13.8409 PRESSURE: 2995000 78.323 184.076 44.4015 184.076 79.8203 46.2575 44.4017 46.257 -401.055 GPRESSURE: 2995000 112.405 294.913 78.3987 93.9841 93.7926 22.098 -126.863 42.7115 -370.236 PRESSAVG: 2995000 -33.0256 23.8821 -54.9324 23.8821 54.029 13.4491 -54.9324 13.4492 -3.76372 GPRESSAVG: 2995000 -32.3802 22.5162 -52.9108 24.3916 53.1508 11.986 -57.1189 13.151 -3.96418 TIMING: 2995000 CPU: 9528.39, 0.00313261/step Wall: 9528.39, 0.00313261/step, 1.74469 hours remaining, 241.554688 MB of memory in use. ENERGY: 2995000 3997.6973 20457.7988 14412.6283 244.2144 -203827.5543 2879.2689 0.0000 0.0000 51938.3694 -109897.5773 298.4905 -161835.9467 -109546.9552 299.2040 -80.9705 -54.6795 759515.4602 5.7465 5.6022 PRESSURE: 2995200 69.9763 217.979 64.8089 217.979 -93.4749 -61.5008 64.8099 -61.5001 -419.607 GPRESSURE: 2995200 5.89939 99.4304 100.993 118.336 53.2141 -49.1409 81.0923 -98.3853 -395.29 PRESSAVG: 2995200 3.85755 59.6561 -0.380481 59.6561 16.4202 -35.9971 -0.380465 -35.9971 14.1057 GPRESSAVG: 2995200 2.95745 61.6393 -1.00402 60.2607 17.3123 -36.9766 -1.33089 -33.7322 14.6453 TIMING: 2995200 CPU: 9529.02, 0.00313807/step Wall: 9529.02, 0.00313807/step, 1.74756 hours remaining, 241.554688 MB of memory in use. ENERGY: 2995200 3939.0666 20388.6942 14479.9701 243.9917 -203547.7250 2489.3731 0.0000 0.0000 52228.9024 -109777.7269 300.1602 -162006.6293 -109416.5572 298.9338 -147.7018 -112.0587 759804.7343 11.4612 11.6383 PRESSURE: 2995400 25.1016 185.653 -176.589 185.654 -136.535 114.479 -176.589 114.479 7.34298 GPRESSURE: 2995400 37.8808 99.0339 -177.178 47.3444 -114.249 64.7781 -150.463 126.976 59.8173 PRESSAVG: 2995400 40.6755 21.9814 35.245 21.9814 18.3924 -51.5325 35.245 -51.5324 14.6583 GPRESSAVG: 2995400 40.9589 20.1658 35.7891 20.1571 18.1712 -51.5641 35.9631 -52.976 14.7219 TIMING: 2995400 CPU: 9529.65, 0.003145/step Wall: 9529.65, 0.003145/step, 1.75124 hours remaining, 241.554688 MB of memory in use. ENERGY: 2995400 3978.3384 20470.7110 14473.9889 227.3263 -202761.6759 2176.4948 0.0000 0.0000 51882.7978 -109552.0187 298.1712 -161434.8165 -109194.0517 298.8865 -34.6969 -5.5169 761170.0865 24.5754 24.6173 PRESSURE: 2995600 -30.3825 -170.338 -43.9149 -170.338 -277.241 -78.2052 -43.9151 -78.2051 -129.042 GPRESSURE: 2995600 33.6077 -223.746 -40.5988 -147.715 -301.283 18.666 -28.944 13.0205 -88.5849 PRESSAVG: 2995600 70.0246 70.2163 4.46701 70.2164 -12.345 39.6045 4.467 39.6045 -6.29071 GPRESSAVG: 2995600 69.3977 70.5121 4.39679 69.931 -11.9051 38.9095 6.43466 41.5873 -6.41421 TIMING: 2995600 CPU: 9530.27, 0.00312851/step Wall: 9530.27, 0.00312851/step, 1.74188 hours remaining, 241.554688 MB of memory in use. ENERGY: 2995600 4040.9612 20385.3695 14466.9261 251.1541 -203348.5011 2515.7052 0.0000 0.0000 52120.6804 -109567.7045 299.5383 -161688.3849 -109201.5021 299.0245 -145.5554 -118.7533 760933.4098 17.1296 17.0261 PRESSURE: 2995800 18.8868 -101.241 116.569 -101.242 -191.814 12.5396 116.569 12.5387 97.0818 GPRESSURE: 2995800 33.2827 1.27978 61.1941 -83.3416 -173.777 -63.9342 121.565 -119.938 154.856 PRESSAVG: 2995800 16.7331 -9.18074 2.60611 -9.18074 -24.8353 4.98359 2.60612 4.98365 -5.99414 GPRESSAVG: 2995800 17.8641 -6.43915 1.82903 -7.98041 -26.8389 6.25645 2.03086 2.05093 -5.14664 TIMING: 2995800 CPU: 9530.9, 0.0031488/step Wall: 9530.9, 0.0031488/step, 1.75301 hours remaining, 241.554688 MB of memory in use. ENERGY: 2995800 4018.0634 20405.8553 14407.6292 238.7999 -203442.3566 2691.5704 0.0000 0.0000 52065.9450 -109614.4934 299.2237 -161680.4384 -109260.5873 298.9915 -25.2820 4.7872 761887.8955 -4.6988 -4.7071 PRESSURE: 2996000 -193.846 52.4878 125.876 52.488 262.113 -179.463 125.876 -179.463 -54.6752 GPRESSURE: 2996000 -26.626 -19.4624 124.065 113.696 205.396 -144.968 -20.1815 -215.889 -62.6821 PRESSAVG: 2996000 -40.464 10.4341 -26.3276 10.4341 1.23107 -33.6833 -26.3277 -33.6832 -4.5763 GPRESSAVG: 2996000 -39.5471 8.85769 -26.8321 10.5157 2.22395 -35.4646 -28.8248 -31.3844 -5.79316 TIMING: 2996000 CPU: 9531.53, 0.00314425/step Wall: 9531.53, 0.00314425/step, 1.7503 hours remaining, 241.554688 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: 2996000 3978.1501 20358.7720 14514.6225 222.7921 -203203.8934 2383.4034 0.0000 0.0000 51976.7551 -109769.3982 298.7111 -161746.1533 -109392.8679 298.8582 4.5307 38.6960 761649.3988 -14.6031 -14.3721 PRESSURE: 2996200 1.61196 -23.2236 431.893 -23.2243 -181.809 8.5902 431.893 8.59114 -209.084 GPRESSURE: 2996200 25.8535 -15.3887 429.4 51.4513 -201.195 60.5251 390.839 48.6426 -136.269 PRESSAVG: 2996200 -16.681 13.6332 41.6269 13.6332 16.943 40.1692 41.6269 40.1692 4.50197 GPRESSAVG: 2996200 -18.342 13.2436 41.4243 12.963 17.1041 41.2138 44.0602 40.8977 5.99231 TIMING: 2996200 CPU: 9532.17, 0.00317919/step Wall: 9532.17, 0.00317919/step, 1.76957 hours remaining, 241.554688 MB of memory in use. ENERGY: 2996200 3931.0491 20507.0002 14521.7924 245.1190 -203306.7199 2454.2558 0.0000 0.0000 52001.0303 -109646.4731 298.8506 -161647.5034 -109294.5584 298.4771 -129.7603 -103.8702 761458.9161 1.5880 1.5848 LDB: ============= START OF LOAD BALANCING ============== 9544.62 LDB: ============== END OF LOAD BALANCING =============== 9544.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9544.63 LDB: ============= START OF LOAD BALANCING ============== 9544.94 LDB: Largest compute 7026 load 0.033968 is 17.4% of average load 0.195350 LDB: Average compute 0.004387 is 2.2% of average load 0.195350 LDB: TIME 9544.95 LOAD: AVG 0.19535 MAX 0.220149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.008 MB LDB: TIME 9544.95 LOAD: AVG 0.19535 MAX 0.220149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.008 MB LDB: TIME 9544.95 LOAD: AVG 0.19535 MAX 0.217036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.008 MB LDB: ============== END OF LOAD BALANCING =============== 9544.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9544.96 PRESSURE: 2996400 -103.171 202.557 -348.86 202.557 117.383 -87.2304 -348.86 -87.2303 257.07 GPRESSURE: 2996400 -2.85648 182.485 -260.188 217.264 30.0776 -177.926 -342.202 -114.77 325.458 PRESSAVG: 2996400 -11.1767 -7.72717 17.4567 -7.7271 -13.9569 52.9325 17.4566 52.9324 -4.91581 GPRESSAVG: 2996400 -10.5979 -7.32366 19.2777 -6.60532 -13.6837 55.668 16.5834 48.1245 -5.40051 TIMING: 2996400 CPU: 9532.82, 0.00325736/step Wall: 9532.82, 0.00325736/step, 1.8129 hours remaining, 240.781250 MB of memory in use. ENERGY: 2996400 4104.4464 20603.3747 14483.3162 238.9574 -203828.6716 3079.2739 0.0000 0.0000 51892.4695 -109426.8335 298.2267 -161319.3031 -109068.0511 299.1031 90.4272 117.5597 760944.2422 -10.0165 -9.8940 PRESSURE: 2996600 84.3879 -130.877 38.083 -130.877 181.648 189.234 38.0836 189.235 11.4921 GPRESSURE: 2996600 85.1456 -151.241 -22.053 -99.1001 230.718 162.357 -42.0247 202.08 62.2041 PRESSAVG: 2996600 -30.3767 -17.8285 -11.4197 -17.8284 14.9879 -23.7612 -11.4197 -23.7611 -18.0961 GPRESSAVG: 2996600 -31.3134 -18.938 -12.0373 -17.5048 15.0573 -26.0007 -12.5849 -22.3654 -17.238 TIMING: 2996600 CPU: 9533.45, 0.00316865/step Wall: 9533.45, 0.00316865/step, 1.76335 hours remaining, 240.781250 MB of memory in use. ENERGY: 2996600 3955.8734 20467.6475 14472.8582 234.0523 -203397.8049 2639.3664 0.0000 0.0000 52262.0120 -109365.9950 300.3505 -161628.0070 -108989.9451 299.3865 92.5093 126.0227 761611.4553 -11.1617 -11.1647 PRESSURE: 2996800 -372.163 19.2703 5.09267 19.2703 -313.577 -61.3062 5.09399 -61.3055 185.435 GPRESSURE: 2996800 -425.688 -60.3717 -8.2754 -35.7361 -216.44 -63.9737 78.5109 -10.5553 247.142 PRESSAVG: 2996800 16.0261 -3.31804 -3.20631 -3.31811 -33.1787 44.9542 -3.20629 44.9542 -15.164 GPRESSAVG: 2996800 16.6068 -3.06616 -3.25787 -4.61209 -32.7498 45.382 1.12323 46.387 -16.5 TIMING: 2996800 CPU: 9534.09, 0.00315668/step Wall: 9534.09, 0.00315668/step, 1.75652 hours remaining, 240.781250 MB of memory in use. ENERGY: 2996800 3941.7076 20594.9534 14438.7140 238.0033 -202826.2408 2345.3422 0.0000 0.0000 51863.7040 -109403.8164 298.0614 -161267.5203 -109049.5835 299.8968 -166.7683 -131.6621 764755.6271 -10.7722 -10.8810 PRESSURE: 2997000 -79.2727 -70.372 27.1075 -70.3726 -54.5165 -2.96027 27.1072 -2.9608 -310.322 GPRESSURE: 2997000 -92.0148 -37.5959 57.9726 -86.6974 89.4996 18.8719 34.516 22.3348 -351.777 PRESSAVG: 2997000 20.5092 28.4961 58.3557 28.4961 0.392563 -27.5148 58.3558 -27.5148 5.17342 GPRESSAVG: 2997000 21.1728 28.0138 57.572 27.2035 0.356814 -28.3305 54.5856 -29.5472 4.67591 TIMING: 2997000 CPU: 9534.72, 0.0031615/step Wall: 9534.72, 0.0031615/step, 1.75902 hours remaining, 240.781250 MB of memory in use. ENERGY: 2997000 4101.0616 20490.0818 14421.9381 246.1502 -203342.6159 2587.6186 0.0000 0.0000 52112.0516 -109383.7139 299.4887 -161495.7656 -109015.1025 299.1619 -148.0371 -118.0975 760766.9449 8.6917 8.7352 PRESSURE: 2997200 -80.2316 41.6695 146.174 41.6689 -15.6866 86.153 146.174 86.1536 -39.7178 GPRESSURE: 2997200 6.64218 66.0165 104.816 13.0659 -53.8901 36.8028 177.972 96.3191 14.0512 PRESSAVG: 2997200 -47.7723 13.4802 -22.7523 13.4802 22.3748 32.6195 -22.7523 32.6195 -12.0738 GPRESSAVG: 2997200 -48.1113 12.5754 -23.5328 15.5538 21.7309 31.2864 -19.4861 33.6012 -11.3567 TIMING: 2997200 CPU: 9535.35, 0.00315518/step Wall: 9535.35, 0.00315518/step, 1.75533 hours remaining, 240.781250 MB of memory in use. ENERGY: 2997200 3871.2268 20570.6274 14448.6461 248.9140 -203099.1922 2485.2282 0.0000 0.0000 52007.6452 -109466.9045 298.8887 -161474.5498 -109108.5244 299.3556 -45.2120 -11.0656 761221.7974 -12.4904 -12.5790 PRESSURE: 2997400 -215.202 -33.1318 70.3748 -33.1317 67.2131 -35.8053 70.3748 -35.805 -55.5343 GPRESSURE: 2997400 -61.3062 -95.9331 97.298 -90.3268 -11.7369 -36.8365 -27.4912 2.34404 -49.8705 PRESSAVG: 2997400 -3.15391 7.41862 -22.9012 7.41865 21.8302 -6.78689 -22.9013 -6.78687 12.7859 GPRESSAVG: 2997400 -2.46421 10.266 -21.6039 5.52181 21.5128 -5.9806 -25.1303 -7.73605 12.1357 TIMING: 2997400 CPU: 9535.98, 0.00315973/step Wall: 9535.98, 0.00315974/step, 1.75769 hours remaining, 240.781250 MB of memory in use. ENERGY: 2997400 4028.7187 20464.2881 14537.3812 238.8874 -203523.2136 2596.0455 0.0000 0.0000 52126.2331 -109531.6597 299.5702 -161657.8927 -109173.5708 299.4772 -67.8410 -40.9712 760262.4657 10.4874 10.3948 PRESSURE: 2997600 -340.292 18.4858 -269.906 18.4854 -442.901 -238.775 -269.906 -238.775 92.929 GPRESSURE: 2997600 -307.218 -88.2741 -236.024 10.2947 -387.122 -271.374 -261.601 -115.773 76.6862 PRESSAVG: 2997600 26.4222 11.1684 -14.3721 11.1683 5.46228 15.4359 -14.3721 15.4359 -11.7484 GPRESSAVG: 2997600 25.9755 8.84472 -12.6039 12.4673 6.89222 17.048 -15.6146 15.0279 -12.1435 TIMING: 2997600 CPU: 9536.61, 0.00315864/step Wall: 9536.61, 0.00315864/step, 1.75691 hours remaining, 240.781250 MB of memory in use. ENERGY: 2997600 4025.6175 20425.3553 14404.8012 225.2290 -203291.1249 2462.3404 0.0000 0.0000 52273.4881 -109474.2934 300.4165 -161747.7816 -109095.8935 299.1641 -230.0879 -205.8845 760983.4369 6.7120 6.9081 PRESSURE: 2997800 -131.998 -152.786 -78.0305 -152.787 136.87 -97.1008 -78.0314 -97.1011 255.277 GPRESSURE: 2997800 -72.4281 5.55389 -101.649 -110.372 118.567 -94.5535 -5.53727 -198.852 299.005 PRESSAVG: 2997800 34.6389 23.5561 -39.1433 23.5562 -78.581 -33.0695 -39.1434 -33.0696 -9.27469 GPRESSAVG: 2997800 35.1955 25.0599 -39.4416 22.0118 -79.4238 -34.5245 -38.0627 -29.7634 -8.59643 TIMING: 2997800 CPU: 9537.25, 0.00318058/step Wall: 9537.25, 0.00318058/step, 1.76893 hours remaining, 240.781250 MB of memory in use. ENERGY: 2997800 3917.4619 20781.4104 14407.2232 233.8324 -203199.1596 2356.0615 0.0000 0.0000 51983.3101 -109519.8602 298.7488 -161503.1703 -109154.6343 299.4054 86.7161 115.0477 760359.5953 -17.7389 -17.6083 PRESSURE: 2998000 97.9306 1.52447 73.9539 1.52447 -419.556 206.538 73.9539 206.539 -378.359 GPRESSURE: 2998000 70.4396 40.0863 42.1866 -108.635 -383.29 175.598 0.649525 159.237 -309.053 PRESSAVG: 2998000 21.694 -15.6342 -24.0267 -15.6342 -42.5437 11.2597 -24.0267 11.2597 -15.3108 GPRESSAVG: 2998000 21.6221 -13.3447 -26.8415 -13.0398 -42.6898 12.2291 -21.7428 8.94088 -15.1101 TIMING: 2998000 CPU: 9537.88, 0.00316839/step Wall: 9537.88, 0.00316839/step, 1.76198 hours remaining, 240.781250 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: 2998000 3993.4350 20610.3075 14449.7957 241.6269 -203070.9717 2414.5048 0.0000 0.0000 52043.1696 -109318.1322 299.0928 -161361.3018 -108957.4611 299.4042 -233.3279 -207.3009 760135.7789 -12.0535 -12.0593 PRESSURE: 2998200 -355.176 -123.341 -14.2076 -123.341 -23.6773 0.422701 -14.2077 0.421968 243.581 GPRESSURE: 2998200 -353.02 -91.3732 -33.0578 -133.13 51.287 36.5652 -84.0826 77.342 253.866 PRESSAVG: 2998200 8.84599 -0.751025 -24.1653 -0.751028 10.3911 -26.0245 -24.1654 -26.0245 15.4218 GPRESSAVG: 2998200 7.67078 -3.30853 -22.4907 -1.16769 10.8387 -24.5116 -25.2518 -25.6252 16.2092 TIMING: 2998200 CPU: 9538.51, 0.00316243/step Wall: 9538.51, 0.00316243/step, 1.75849 hours remaining, 240.781250 MB of memory in use. ENERGY: 2998200 3979.5223 20549.1347 14512.7273 225.4402 -203084.8324 2301.0463 0.0000 0.0000 52233.2842 -109283.6773 300.1854 -161516.9615 -108922.3227 299.5742 -45.0911 -15.9555 760189.5823 11.5530 11.5729 PRESSURE: 2998400 -159.148 -38.9226 38.389 -38.9227 32.9682 25.1133 38.3891 25.1139 224.427 GPRESSURE: 2998400 -160.822 -9.22485 102.168 -73.0591 141.123 64.8479 65.5795 19.1862 215.744 PRESSAVG: 2998400 54.8123 -18.7874 -27.926 -18.7874 -40.3245 11.0263 -27.926 11.0262 4.25443 GPRESSAVG: 2998400 54.915 -19.212 -29.7421 -20.6222 -38.7182 10.2844 -29.3554 10.3904 3.15215 TIMING: 2998400 CPU: 9539.14, 0.00313602/step Wall: 9539.14, 0.00313602/step, 1.74363 hours remaining, 240.781250 MB of memory in use. ENERGY: 2998400 3995.7091 20610.7353 14459.0526 227.2051 -203686.6775 2739.5082 0.0000 0.0000 52230.5165 -109423.9507 300.1695 -161654.4672 -109056.7856 299.6998 32.7491 65.3480 759457.5639 6.2474 6.4497 PRESSURE: 2998600 -7.54152 -95.1522 -161.343 -95.152 -132.929 -212.271 -161.343 -212.271 -205.347 GPRESSURE: 2998600 48.1052 -90.4591 -119.19 -200.882 -120.277 -256.306 -69.7929 -61.3064 -185.025 PRESSAVG: 2998600 60.7875 22.3041 2.58829 22.304 -47.9439 -11.6514 2.58829 -11.6514 -6.16133 GPRESSAVG: 2998600 61.8989 23.2092 3.82655 22.1782 -49.7723 -11.6883 3.92955 -10.995 -5.38261 TIMING: 2998600 CPU: 9539.77, 0.00315893/step Wall: 9539.77, 0.00315893/step, 1.75619 hours remaining, 240.781250 MB of memory in use. ENERGY: 2998600 3995.5462 20577.6060 14500.7482 225.6876 -203120.8133 2165.9790 0.0000 0.0000 52089.6352 -109565.6110 299.3598 -161655.2462 -109197.8864 299.5052 -115.2726 -85.7324 759735.0148 2.2274 2.2480 PRESSURE: 2998800 -95.7838 -123.362 123.061 -123.361 -354.449 -55.862 123.061 -55.8621 -193.023 GPRESSURE: 2998800 -85.837 -61.8558 157.6 -161.257 -298.177 -54.3135 -35.428 -45.0016 -146.006 PRESSAVG: 2998800 -16.0003 -11.9004 9.01728 -11.9004 -22.3747 -10.097 9.0173 -10.097 -1.63256 GPRESSAVG: 2998800 -17.0892 -10.1431 8.51216 -10.5058 -20.6641 -10.246 8.2013 -10.8876 -1.89742 TIMING: 2998800 CPU: 9540.4, 0.00314761/step Wall: 9540.4, 0.00314761/step, 1.74972 hours remaining, 240.781250 MB of memory in use. ENERGY: 2998800 3967.4068 20299.5304 14423.0779 252.9639 -203288.9101 2586.7913 0.0000 0.0000 52183.0551 -109576.0847 299.8967 -161759.1398 -109213.3615 299.1186 -214.4186 -176.6732 761445.3697 -13.3358 -13.2169 PRESSURE: 2999000 -153.088 24.4563 -165.915 24.4568 -104.853 18.2043 -165.915 18.2048 238.386 GPRESSURE: 2999000 -116.918 -41.2653 -92.7117 59.3168 -9.27077 -18.4409 -72.1925 -20.3469 199.872 PRESSAVG: 2999000 -11.1005 -43.0712 -54.2374 -43.0712 -36.7507 3.84749 -54.2374 3.84743 11.6391 GPRESSAVG: 2999000 -11.6325 -44.0042 -54.6362 -44.0967 -37.2572 2.80358 -54.0673 3.32206 12.6506 TIMING: 2999000 CPU: 9541.04, 0.00317209/step Wall: 9541.04, 0.00317209/step, 1.76315 hours remaining, 240.781250 MB of memory in use. ENERGY: 2999000 3918.0240 20479.0858 14459.5190 251.8629 -203142.1860 2387.9211 0.0000 0.0000 52124.9810 -109520.7923 299.5630 -161645.7733 -109153.5515 299.4244 -6.5182 24.5613 760070.7658 -12.0707 -12.0797 PRESSURE: 2999200 -161.772 7.07182 2.75577 7.0722 -519.654 -175.146 2.75538 -175.147 60.7293 GPRESSURE: 2999200 -103.022 15.5363 -18.6219 81.5911 -413.278 -238.535 1.92609 -78.3678 -9.7536 PRESSAVG: 2999200 11.4221 -48.3703 0.521921 -48.3704 -22.8733 -23.8618 0.521995 -23.8618 12.0856 GPRESSAVG: 2999200 12.78 -48.6843 1.80548 -47.7002 -22.8548 -25.0664 -0.694417 -20.912 11.0418 TIMING: 2999200 CPU: 9541.67, 0.00315833/step Wall: 9541.67, 0.00315833/step, 1.75533 hours remaining, 240.781250 MB of memory in use. ENERGY: 2999200 3916.6830 20588.8680 14451.1543 264.5343 -202854.2848 2247.3859 0.0000 0.0000 52042.8099 -109342.8494 299.0907 -161385.6593 -108982.6955 299.5841 -206.8988 -175.3513 759835.2558 0.2115 0.3224 PRESSURE: 2999400 62.4338 -51.8232 192.703 -51.8234 -93.2345 54.824 192.704 54.8231 -391.393 GPRESSURE: 2999400 151.223 -76.0992 187.087 -19.4422 -114.384 30.9101 147.356 79.1666 -383.285 PRESSAVG: 2999400 18.9595 41.1959 -18.1474 41.1958 -13.5964 0.655013 -18.1475 0.654997 1.21547 GPRESSAVG: 2999400 18.7346 40.2372 -19.2868 40.1805 -14.296 1.24102 -16.1997 -2.15716 2.53911 TIMING: 2999400 CPU: 9542.3, 0.00315048/step Wall: 9542.3, 0.00315048/step, 1.75079 hours remaining, 240.781250 MB of memory in use. ENERGY: 2999400 3974.5770 20588.5526 14430.3267 260.4065 -203187.1893 2302.4523 0.0000 0.0000 52177.3977 -109453.4765 299.8642 -161630.8743 -109088.6402 299.8405 -140.7313 -115.4821 760798.4172 2.1929 2.3259 PRESSURE: 2999600 173.708 -86.1107 -12.604 -86.1113 -195.426 140.871 -12.6038 140.871 48.5679 GPRESSURE: 2999600 111.505 -40.0376 21.8015 -111.471 29.2868 217.151 130.028 92.8367 -45.0228 PRESSAVG: 2999600 43.1138 -13.6115 -33.8066 -13.6115 -46.4388 29.8519 -33.8066 29.8519 2.31689 GPRESSAVG: 2999600 41.5533 -12.2228 -31.8607 -11.8763 -44.3227 33.7686 -34.5469 29.4845 1.57732 TIMING: 2999600 CPU: 9542.93, 0.00314151/step Wall: 9542.93, 0.00314151/step, 1.74563 hours remaining, 240.781250 MB of memory in use. ENERGY: 2999600 3908.9339 20602.4116 14448.0465 274.7263 -203318.0983 2544.2245 0.0000 0.0000 51997.3674 -109542.3881 298.8296 -161539.7555 -109182.4866 299.4841 8.9499 31.9231 761495.8906 -0.3360 -0.3974 PRESSURE: 2999800 -108.637 -26.8125 -34.0445 -26.8123 499.945 -132.436 -34.0446 -132.436 406.188 GPRESSURE: 2999800 20.3837 22.0278 -13.31 -39.0346 421.705 -183.456 22.4781 -110.903 423.387 PRESSAVG: 2999800 11.2203 67.0338 -24.7871 67.0338 6.55194 45.3826 -24.7871 45.3826 -9.85902 GPRESSAVG: 2999800 13.3224 64.5493 -25.3894 67.5588 4.99568 41.5891 -24.196 46.4944 -10.3051 TIMING: 2999800 CPU: 9543.55, 0.00312961/step Wall: 9543.55, 0.00312961/step, 1.73885 hours remaining, 240.781250 MB of memory in use. ENERGY: 2999800 3871.0479 20445.8161 14429.1778 237.0284 -203259.0380 2707.9320 0.0000 0.0000 52041.8089 -109526.2270 299.0850 -161568.0358 -109161.7761 299.2996 265.8323 288.4919 759889.7732 2.6377 2.6710 WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3000000 214.42 91.883 -293.979 91.883 155.501 96.5736 -293.979 96.5728 -45.5675 GPRESSURE: 3000000 235.463 69.6715 -365.11 -87.4695 208.151 145.291 -291.45 103.995 -38.1027 PRESSAVG: 3000000 38.6122 16.5894 -26.7199 16.5894 -28.1119 38.2615 -26.7198 38.2615 11.8275 GPRESSAVG: 3000000 38.4076 18.2634 -28.4868 13.9275 -29.3629 39.9657 -26.7606 35.7146 13.0601 TIMING: 3000000 CPU: 9544.2, 0.00323096/step Wall: 9544.2, 0.00323096/step, 1.79498 hours remaining, 240.781250 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: 3000000 3953.8156 20448.6609 14416.3464 258.7661 -203373.6332 2473.7434 0.0000 0.0000 52146.5656 -109675.7352 299.6870 -161822.3008 -109303.3071 299.3559 108.1181 135.1705 759856.5956 7.4426 7.3683 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 PRESSURE: 3000200 -21.2233 -4.77153 17.7125 -4.77122 -265.509 96.9171 17.7121 96.9177 82.6813 GPRESSURE: 3000200 -8.5502 45.3101 21.349 -36.8108 -236.328 95.8348 -82.1642 107.064 120.118 PRESSAVG: 3000200 -21.3983 -8.17373 -29.4771 -8.17365 -1.26602 100.099 -29.4771 100.099 -24.864 GPRESSAVG: 3000200 -22.5512 -8.46899 -26.1829 -6.86568 0.78534 100.05 -30.6412 103.641 -25.7185 TIMING: 3000200 CPU: 9544.83, 0.00317084/step Wall: 9544.83, 0.00317084/step, 1.7614 hours remaining, 240.781250 MB of memory in use. ENERGY: 3000200 3905.4074 20471.1517 14541.7763 244.7696 -203298.4919 2446.8687 0.0000 0.0000 51856.0777 -109832.4405 298.0176 -161688.5182 -109465.9448 299.1610 -68.0171 -41.5870 761284.9707 -15.8428 -15.8281 LDB: ============= START OF LOAD BALANCING ============== 9557.28 LDB: ============== END OF LOAD BALANCING =============== 9557.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.29 LDB: ============= START OF LOAD BALANCING ============== 9557.6 LDB: Largest compute 7049 load 0.032892 is 16.8% of average load 0.195297 LDB: Average compute 0.004362 is 2.2% of average load 0.195297 LDB: TIME 9557.6 LOAD: AVG 0.195297 MAX 0.213171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.238 MB LDB: TIME 9557.6 LOAD: AVG 0.195297 MAX 0.213171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.238 MB LDB: TIME 9557.6 LOAD: AVG 0.195297 MAX 0.213171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.238 MB LDB: ============== END OF LOAD BALANCING =============== 9557.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9557.61 PRESSURE: 3000400 -90.9817 31.6976 134.358 31.6977 136.573 123.248 134.358 123.247 -164.701 GPRESSURE: 3000400 -80.1323 40.5243 85.0963 -20.5496 95.3882 46.5114 186.541 124.894 -47.5901 PRESSAVG: 3000400 5.91182 -1.26975 1.57918 -1.26972 -7.00374 19.0948 1.57921 19.0948 5.43238 GPRESSAVG: 3000400 7.08577 -0.503188 -0.492407 0.0413465 -8.73822 17.2687 1.75802 19.0898 5.17973 TIMING: 3000400 CPU: 9545.47, 0.00320641/step Wall: 9545.47, 0.00320641/step, 1.78098 hours remaining, 241.042969 MB of memory in use. ENERGY: 3000400 4028.4648 20548.6086 14397.6710 227.4695 -203616.7407 2552.5508 0.0000 0.0000 51988.0754 -109873.9006 298.7762 -161861.9760 -109511.7679 298.4239 -39.7033 -10.7781 761423.5539 1.4468 1.1758 PRESSURE: 3000600 220.768 95.2766 -44.0308 95.2776 -106.262 35.292 -44.0317 35.2926 171.537 GPRESSURE: 3000600 279.28 74.7243 37.6001 70.3092 2.98715 -42.4607 -71.5183 124.168 90.9387 PRESSAVG: 3000600 -19.4984 -29.3343 -41.8371 -29.3344 20.7859 36.9338 -41.837 36.9338 15.584 GPRESSAVG: 3000600 -19.1458 -28.439 -40.7595 -31.3874 21.0522 36.8077 -40.5166 36.4134 15.1407 TIMING: 3000600 CPU: 9546.1, 0.00313101/step Wall: 9546.1, 0.00313101/step, 1.73893 hours remaining, 241.042969 MB of memory in use. ENERGY: 3000600 4067.3371 20330.4949 14436.6686 252.8008 -204100.2205 2905.7228 0.0000 0.0000 52236.7070 -109870.4893 300.2051 -162107.1963 -109504.8306 298.6349 95.3478 124.4020 759605.0391 5.6238 5.6824 PRESSURE: 3000800 -242.563 91.0844 196.274 91.0843 80.7525 164.053 196.274 164.053 221.349 GPRESSURE: 3000800 -153.215 64.9316 189.671 97.8854 81.8005 238.555 102.121 62.3546 216.959 PRESSAVG: 3000800 12.8452 -80.1671 -5.35691 -80.1671 0.798051 56.1496 -5.35691 56.1496 21.7046 GPRESSAVG: 3000800 12.4971 -80.1684 -5.47986 -79.4325 1.36875 57.2697 -6.00644 55.9575 21.4139 TIMING: 3000800 CPU: 9546.73, 0.0031423/step Wall: 9546.73, 0.0031423/step, 1.74502 hours remaining, 241.042969 MB of memory in use. ENERGY: 3000800 3995.4091 20539.5460 14408.7076 260.2704 -203586.2496 2494.2150 0.0000 0.0000 51983.2466 -109904.8549 298.7484 -161888.1016 -109537.2474 298.6300 19.8461 48.5149 760486.8472 11.7826 11.7599 PRESSURE: 3001000 -443.144 -206.994 -270.823 -206.994 -148.524 95.2173 -270.823 95.2183 -107.033 GPRESSURE: 3001000 -333.641 -182.921 -164.56 -78.3349 -85.4788 38.0736 -147.347 89.0901 -194.945 PRESSAVG: 3001000 18.6871 8.73456 14.9675 8.73455 -55.756 85.2256 14.9674 85.2256 11.0054 GPRESSAVG: 3001000 18.7077 7.91325 14.2395 9.96792 -55.3108 84.9299 14.7779 84.3551 10.2984 TIMING: 3001000 CPU: 9547.36, 0.00315021/step Wall: 9547.36, 0.00315021/step, 1.74924 hours remaining, 241.042969 MB of memory in use. ENERGY: 3001000 4001.5814 20609.4302 14494.6831 244.3121 -203448.1445 2212.7324 0.0000 0.0000 51951.5908 -109933.8145 298.5665 -161885.4053 -109562.4307 298.1737 -232.9005 -204.6884 760396.0503 -8.6878 -8.7683 PRESSURE: 3001200 -388.426 157.295 -71.4723 157.294 166.978 -169.116 -71.4731 -169.117 -193.821 GPRESSURE: 3001200 -306.122 156.438 -162.845 101.131 103.738 -127.757 -120.97 19.5591 -157.477 PRESSAVG: 3001200 -7.13425 -22.3442 -20.1054 -22.3443 45.3529 -41.6516 -20.1055 -41.6517 2.36515 GPRESSAVG: 3001200 -7.28431 -24.0911 -20.6885 -22.3027 44.197 -40.6458 -20.7796 -41.6919 3.54399 TIMING: 3001200 CPU: 9547.99, 0.00312873/step Wall: 9547.99, 0.00312873/step, 1.73714 hours remaining, 241.042969 MB of memory in use. ENERGY: 3001200 4010.1175 20682.8567 14498.2744 238.4824 -203393.5823 2253.3044 0.0000 0.0000 51763.2908 -109947.2560 297.4843 -161710.5468 -109584.9789 298.5825 -138.4233 -119.9537 759378.5747 13.5279 13.4856 PRESSURE: 3001400 -271.002 234.23 -47.7993 234.231 278.814 -195.415 -47.7993 -195.417 46.4399 GPRESSURE: 3001400 -161.037 218.961 -42.4117 157.348 348.763 -170.736 -47.2672 -196.773 -38.5355 PRESSAVG: 3001400 9.69514 59.6896 9.59153 59.6896 -38.0289 -51.6007 9.59157 -51.6008 4.8502 GPRESSAVG: 3001400 9.9246 60.9487 10.3716 57.1934 -36.5516 -51.2065 9.88946 -49.6673 3.26076 TIMING: 3001400 CPU: 9548.61, 0.00314244/step Wall: 9548.61, 0.00314244/step, 1.74458 hours remaining, 241.042969 MB of memory in use. ENERGY: 3001400 4017.3871 20395.4271 14493.4607 223.7723 -203530.7787 2639.0248 0.0000 0.0000 51981.4642 -109780.2425 298.7382 -161761.7067 -109422.8672 298.7773 18.0839 49.7302 759252.6167 -7.8278 -7.7887 PRESSURE: 3001600 44.7168 -194.975 -93.634 -194.974 -340.494 -3.98726 -93.6337 -3.98712 -340.21 GPRESSURE: 3001600 87.2459 -132.089 -111.207 -234.38 -249.824 -120.382 -6.85024 20.3006 -369.106 PRESSAVG: 3001600 -20.8015 25.728 3.73641 25.728 33.8902 -51.8363 3.73646 -51.8362 -1.8475 GPRESSAVG: 3001600 -20.9199 26.9913 2.64978 27.9484 33.6232 -53.751 4.65835 -52.8055 -1.65964 TIMING: 3001600 CPU: 9549.25, 0.00316142/step Wall: 9549.25, 0.00316142/step, 1.75494 hours remaining, 241.042969 MB of memory in use. ENERGY: 3001600 4003.7707 20466.5669 14504.4186 266.0434 -203351.7058 2415.4430 0.0000 0.0000 51891.1550 -109804.3081 298.2192 -161695.4631 -109441.5465 298.4174 -211.9957 -177.2280 759265.9900 3.7471 3.6812 PRESSURE: 3001800 -183.679 -188.688 -201.944 -188.688 110.944 -14.1554 -201.945 -14.155 69.2076 GPRESSURE: 3001800 -111.948 -130.627 -270.663 -183.592 68.2117 -93.6077 -167.546 -13.379 135.514 PRESSAVG: 3001800 4.22281 -21.4362 9.52569 -21.4361 -1.08235 -66.6751 9.52566 -66.6751 -17.6221 GPRESSAVG: 3001800 3.73496 -21.456 10.641 -23.7579 -2.99727 -65.9813 11.1424 -67.2115 -15.3416 TIMING: 3001800 CPU: 9549.88, 0.00315472/step Wall: 9549.88, 0.00315472/step, 1.75104 hours remaining, 241.042969 MB of memory in use. ENERGY: 3001800 3971.1024 20397.9939 14471.1227 238.6510 -203266.3840 2317.4457 0.0000 0.0000 51913.6201 -109956.4482 298.3483 -161870.0683 -109587.8630 297.8999 -1.1760 30.5927 760759.1327 -4.8272 -4.8680 PRESSURE: 3002000 -135.948 150.766 -94.2644 150.768 -86.9499 -208.754 -94.2636 -208.756 -124.609 GPRESSURE: 3002000 -110.456 120.491 -157.749 199.441 -69.9885 -222.968 -39.6393 -110.073 -76.0114 PRESSAVG: 3002000 18.9765 47.3719 -28.6886 47.3719 -21.1299 -52.9121 -28.6886 -52.9121 -6.08072 GPRESSAVG: 3002000 19.148 46.7236 -30.0322 50.6704 -20.3906 -53.2355 -30.5184 -53.2538 -7.11937 TIMING: 3002000 CPU: 9550.5, 0.00313521/step Wall: 9550.5, 0.00313521/step, 1.74004 hours remaining, 241.042969 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: 3002000 3962.0694 20390.0410 14516.9149 229.9619 -203754.4511 2535.5129 0.0000 0.0000 51982.6900 -110137.2610 298.7452 -162119.9510 -109780.6866 297.7540 -115.8355 -85.4851 759664.6620 -2.7447 -2.7873 PRESSURE: 3002200 -116.152 112.304 87.4417 112.304 -219.056 88.2467 87.441 88.2463 -91.814 GPRESSURE: 3002200 1.38102 2.8309 86.4097 6.64169 -209.645 68.952 166.893 137.992 -139.73 PRESSAVG: 3002200 7.02643 -51.561 2.22506 -51.5609 -32.6081 -25.9153 2.22515 -25.9153 5.20569 GPRESSAVG: 3002200 7.16178 -51.9597 3.3363 -53.1787 -33.3666 -26.4709 2.55938 -23.7492 4.91544 TIMING: 3002200 CPU: 9551.13, 0.00314114/step Wall: 9551.13, 0.00314114/step, 1.74316 hours remaining, 241.042969 MB of memory in use. ENERGY: 3002200 4041.3094 20453.6632 14484.0619 221.6954 -203327.5560 2310.1449 0.0000 0.0000 51742.5262 -110074.1550 297.3650 -161816.6812 -109719.9958 297.6430 -142.3407 -115.9981 761036.5416 -6.7920 -7.0964 PRESSURE: 3002400 36.6782 71.5584 277.949 71.5583 -13.7489 155.557 277.949 155.556 30.4895 GPRESSURE: 3002400 70.2882 76.0729 314.065 17.2139 41.7213 145.101 122.053 35.0462 7.10006 PRESSAVG: 3002400 -5.94569 12.6334 17.1514 12.6334 -50.1956 2.21449 17.1514 2.21452 -6.03493 GPRESSAVG: 3002400 -7.4041 10.9424 18.1075 13.3063 -48.2718 2.92934 15.6394 0.695386 -6.22067 TIMING: 3002400 CPU: 9551.76, 0.00315554/step Wall: 9551.76, 0.00315554/step, 1.75098 hours remaining, 241.042969 MB of memory in use. ENERGY: 3002400 3916.8891 20359.1140 14502.7875 250.9200 -203490.9187 2549.1375 0.0000 0.0000 51986.6567 -109925.4139 298.7680 -161912.0707 -109561.0856 297.8532 17.8063 39.7032 760632.4538 -20.7254 -20.6322 PRESSURE: 3002600 -192.888 -315.956 -60.0595 -315.955 -215.469 -45.0847 -60.0604 -45.0846 -265.995 GPRESSURE: 3002600 -177.516 -305.637 -48.2514 -260.441 -207.048 -31.3256 22.8544 -104.141 -204.973 PRESSAVG: 3002600 -9.12819 1.84173 -1.29142 1.84168 10.3435 -9.16573 -1.29139 -9.16573 -18.3748 GPRESSAVG: 3002600 -7.99051 4.514 -2.39118 0.662549 7.87641 -8.79522 1.40433 -10.0884 -17.2788 TIMING: 3002600 CPU: 9552.39, 0.00315462/step Wall: 9552.39, 0.00315462/step, 1.75029 hours remaining, 241.042969 MB of memory in use. ENERGY: 3002600 3906.8123 20529.8798 14483.8735 268.1977 -203409.0371 2355.8554 0.0000 0.0000 51900.2337 -109964.1848 298.2714 -161864.4185 -109609.4660 297.9209 -224.7840 -196.5120 761589.3692 -5.7198 -5.7976 PRESSURE: 3002800 341.706 14.7871 148.017 14.7859 -135.247 -101.045 148.018 -101.044 154.622 GPRESSURE: 3002800 405.921 0.136518 79.6129 22.911 -100.849 -199.734 59.3697 -97.8422 148.607 PRESSAVG: 3002800 25.3207 27.5323 4.32601 27.5322 -31.9467 4.11882 4.32603 4.11874 -26.3013 GPRESSAVG: 3002800 26.646 26.5848 5.44898 28.4583 -31.0117 3.17321 0.183803 4.02043 -27.8282 TIMING: 3002800 CPU: 9553.02, 0.00315104/step Wall: 9553.02, 0.00315104/step, 1.74813 hours remaining, 241.042969 MB of memory in use. ENERGY: 3002800 3929.6642 20394.7722 14442.4183 246.4839 -203764.3363 2738.4024 0.0000 0.0000 52019.0526 -109993.5428 298.9542 -162012.5953 -109634.3040 297.6487 120.3602 151.2265 759591.6338 -10.9758 -10.7313 PRESSURE: 3003000 8.74146 -100.137 99.7732 -100.137 -507.309 183.369 99.7733 183.369 -55.7179 GPRESSURE: 3003000 90.2966 -134.621 156.72 8.62778 -481.578 183.84 -36.6576 154.429 -53.7009 PRESSAVG: 3003000 58.6128 14.8534 -12.9029 14.8534 -85.7448 18.6212 -12.903 18.6212 12.4103 GPRESSAVG: 3003000 58.7129 14.5926 -12.8358 14.6948 -86.2098 19.107 -12.8614 18.8735 12.7026 TIMING: 3003000 CPU: 9553.65, 0.00313271/step Wall: 9553.65, 0.00313271/step, 1.73778 hours remaining, 241.042969 MB of memory in use. ENERGY: 3003000 3945.3227 20438.6454 14520.4579 235.6391 -203557.3282 2532.0965 0.0000 0.0000 52127.5222 -109757.6444 299.5776 -161885.1666 -109390.2776 298.3108 -184.7619 -148.3274 761137.7010 -4.9072 -4.9315 PRESSURE: 3003200 -257.404 123.176 42.3206 123.177 -65.4886 -84.6427 42.321 -84.6421 261.855 GPRESSURE: 3003200 -186.919 0.22597 49.5331 118.692 -35.8529 -61.9701 91.9735 -0.43429 259.555 PRESSAVG: 3003200 48.9137 9.61564 40.0809 9.61556 -56.3835 14.8224 40.0809 14.8224 -6.7463 GPRESSAVG: 3003200 47.5653 9.17351 40.624 11.3234 -55.5963 13.5321 42.1008 16.4275 -5.69955 TIMING: 3003200 CPU: 9554.28, 0.00313012/step Wall: 9554.28, 0.00313012/step, 1.73617 hours remaining, 241.042969 MB of memory in use. ENERGY: 3003200 4044.1931 20603.8953 14443.4139 259.4307 -203792.9266 2621.0445 0.0000 0.0000 52053.1267 -109767.8224 299.1500 -161820.9492 -109408.8630 298.8628 -20.3460 12.2611 759599.1385 -4.7387 -4.5769 PRESSURE: 3003400 11.9076 -75.4123 416.705 -75.4125 -123.978 -98.1684 416.706 -98.1684 20.4165 GPRESSURE: 3003400 -25.3978 -7.66918 279.773 -56.646 -22.3448 -70.6575 307.57 -62.7388 38.4995 PRESSAVG: 3003400 -19.6484 -11.9372 30.7249 -11.9373 39.9916 -26.4615 30.7249 -26.4616 0.586323 GPRESSAVG: 3003400 -19.872 -10.984 29.3776 -14.1226 40.5367 -25.5902 31.9441 -28.0642 0.04048 TIMING: 3003400 CPU: 9554.9, 0.00313356/step Wall: 9554.9, 0.00313356/step, 1.73791 hours remaining, 241.042969 MB of memory in use. ENERGY: 3003400 3913.8763 20692.6019 14475.9466 255.2824 -203653.1918 2682.8236 0.0000 0.0000 51923.0857 -109709.5752 298.4027 -161632.6609 -109345.4903 298.6415 -30.5514 -3.0810 760788.0204 6.9765 6.9017 PRESSURE: 3003600 164.797 155.573 -3.50666 155.574 392.432 -55.4392 -3.50731 -55.4391 297.036 GPRESSURE: 3003600 206.877 37.9327 27.0167 181.416 501.911 -17.4311 78.5864 -128.699 235.628 PRESSAVG: 3003600 -40.6364 67.9329 5.7459 67.9329 42.8736 -80.5939 5.74589 -80.594 13.0776 GPRESSAVG: 3003600 -40.3291 66.0229 7.30228 67.187 43.1422 -80.9282 3.80884 -78.7621 11.9842 TIMING: 3003600 CPU: 9555.53, 0.00313039/step Wall: 9555.53, 0.00313039/step, 1.73597 hours remaining, 241.042969 MB of memory in use. ENERGY: 3003600 3965.1314 20542.9977 14418.7345 243.0605 -203701.3399 2779.2034 0.0000 0.0000 51981.7201 -109770.4923 298.7397 -161752.2124 -109396.3654 298.6237 284.7551 314.8054 760177.2072 5.1049 4.9324 PRESSURE: 3003800 -40.9144 130.691 8.28444 130.691 -301.751 -186.23 8.28395 -186.231 -379.091 GPRESSURE: 3003800 15.3836 108.9 -55.5588 109.003 -243.326 -29.2484 98.9986 -171.454 -397.669 PRESSAVG: 3003800 -29.0512 19.6696 4.1376 19.6697 0.0211297 -26.3686 4.13764 -26.3686 -22.7751 GPRESSAVG: 3003800 -28.4009 21.0027 3.74222 20.6251 -0.742515 -26.0462 5.01749 -27.1374 -22.936 TIMING: 3003800 CPU: 9556.16, 0.00315519/step Wall: 9556.16, 0.00315519/step, 1.74955 hours remaining, 241.042969 MB of memory in use. ENERGY: 3003800 3983.7983 20500.3648 14417.6105 244.7342 -203232.6253 2338.1595 0.0000 0.0000 52220.2397 -109527.7183 300.1104 -161747.9580 -109154.8801 298.6554 -240.5856 -208.5372 762481.3333 -17.2684 -17.3598 PRESSURE: 3004000 189.731 34.2092 -27.9706 34.2091 105.958 73.9381 -27.9701 73.9377 -123.726 GPRESSURE: 3004000 216.357 -5.4261 -35.7311 18.8043 96.513 19.5844 -163.776 82.3064 -52.7774 PRESSAVG: 3004000 118.879 76.9792 29.5238 76.9791 -34.3996 -21.7545 29.5237 -21.7545 -5.03896 GPRESSAVG: 3004000 118.263 77.852 29.4723 76.9056 -33.9417 -23.9567 30.1412 -19.7995 -5.16656 TIMING: 3004000 CPU: 9556.79, 0.00314205/step Wall: 9556.79, 0.00314205/step, 1.74209 hours remaining, 241.042969 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: 3004000 3959.7889 20580.6046 14449.7750 229.9790 -203783.7526 2807.4403 0.0000 0.0000 52305.3455 -109450.8193 300.5995 -161756.1649 -109085.8536 299.0022 57.3213 86.6974 758874.6350 26.4802 26.3850 PRESSURE: 3004200 105.87 -284.858 166.027 -284.858 -20.5369 35.4225 166.028 35.423 100.059 GPRESSURE: 3004200 103.767 -252.814 101.537 -200.457 41.2411 -33.1404 165.318 -0.0153763 119.179 PRESSAVG: 3004200 13.3583 -27.3646 3.42212 -27.3646 -44.3164 44.9223 3.42209 44.9223 -11.5864 GPRESSAVG: 3004200 12.9512 -26.6801 3.05481 -27.1703 -44.913 46.9207 1.5839 41.8548 -10.6408 TIMING: 3004200 CPU: 9557.42, 0.00315385/step Wall: 9557.42, 0.00315385/step, 1.74846 hours remaining, 241.042969 MB of memory in use. ENERGY: 3004200 3991.1808 20553.2486 14446.7992 232.8825 -203620.0017 2652.2735 0.0000 0.0000 52313.1507 -109430.4665 300.6444 -161743.6172 -109064.7484 299.4330 61.7974 88.0623 760539.4319 -14.1815 -14.2009 LDB: ============= START OF LOAD BALANCING ============== 9569.87 LDB: ============== END OF LOAD BALANCING =============== 9569.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9569.87 LDB: ============= START OF LOAD BALANCING ============== 9570.19 LDB: Largest compute 7070 load 0.036025 is 18.5% of average load 0.195242 LDB: Average compute 0.004405 is 2.3% of average load 0.195242 LDB: TIME 9570.19 LOAD: AVG 0.195242 MAX 0.213801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.699 MB LDB: TIME 9570.19 LOAD: AVG 0.195242 MAX 0.213801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.738 MB LDB: TIME 9570.19 LOAD: AVG 0.195242 MAX 0.213801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.738 MB LDB: ============== END OF LOAD BALANCING =============== 9570.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9570.2 PRESSURE: 3004400 -259.354 -89.0755 -155.984 -89.0757 -315.845 106.077 -155.984 106.077 180.8 GPRESSURE: 3004400 -210.14 -264.724 -190.357 -50.4446 -269.212 94.4107 -98.4704 153.469 195.156 PRESSAVG: 3004400 18.8154 4.704 -33.2252 4.7041 -51.104 -11.9073 -33.2252 -11.9073 11.7496 GPRESSAVG: 3004400 18.6677 5.04015 -33.0945 2.23229 -51.2368 -11.1801 -30.6461 -11.4544 12.2258 TIMING: 3004400 CPU: 9558.06, 0.00320778/step Wall: 9558.06, 0.00320778/step, 1.77818 hours remaining, 239.953125 MB of memory in use. ENERGY: 3004400 3960.9007 20493.4237 14544.3617 244.7661 -203154.0684 2600.1902 0.0000 0.0000 51877.5055 -109432.9204 298.1407 -161310.4259 -109064.8734 299.5366 -131.4663 -94.7319 763445.8728 -6.8464 -6.7811 PRESSURE: 3004600 185.115 -86.1097 158.032 -86.1096 3.15959 4.48796 158.033 4.48779 -455.972 GPRESSURE: 3004600 185.286 -89.9037 128.6 -87.1339 72.3204 51.1458 30.3275 51.9245 -456.958 PRESSAVG: 3004600 17.8586 22.7045 -37.115 22.7045 15.7842 -38.4161 -37.115 -38.4162 20.6435 GPRESSAVG: 3004600 18.316 22.4778 -36.4317 24.2553 15.5163 -39.1376 -39.5576 -36.6667 19.9289 TIMING: 3004600 CPU: 9558.69, 0.0031442/step Wall: 9558.69, 0.00314421/step, 1.74276 hours remaining, 239.953125 MB of memory in use. ENERGY: 3004600 4016.2141 20503.9314 14432.9428 229.3429 -203320.3402 2638.5484 0.0000 0.0000 52098.0685 -109401.2922 299.4083 -161499.3607 -109041.5008 299.0325 -89.2326 -66.4505 761001.0416 18.0954 17.9204 PRESSURE: 3004800 -170.444 -33.5777 -155.65 -33.5784 -258.337 84.0462 -155.651 84.0467 -106.119 GPRESSURE: 3004800 -150.834 11.2401 -189.577 -55.8864 -135.045 101.414 -39.7863 8.77788 -161.685 PRESSAVG: 3004800 5.17908 22.1864 -11.4468 22.1864 -45.8791 17.4268 -11.4468 17.4269 3.27286 GPRESSAVG: 3004800 3.41626 21.9271 -12.3722 20.9079 -45.0873 14.8522 -10.8692 17.8806 4.12614 TIMING: 3004800 CPU: 9559.32, 0.00315805/step Wall: 9559.32, 0.00315805/step, 1.75026 hours remaining, 239.953125 MB of memory in use. ENERGY: 3004800 3975.7356 20524.8636 14416.2788 250.9956 -203469.0284 2842.5307 0.0000 0.0000 52093.7611 -109364.8630 299.3836 -161458.6241 -109011.4185 299.2367 -178.2998 -149.1880 761373.3686 -12.4757 -12.5150 PRESSURE: 3005000 -319.126 -43.4689 -172.13 -43.4688 -546.119 -166.255 -172.13 -166.255 -352.832 GPRESSURE: 3005000 -296.502 -204.174 -152.93 -43.1479 -545.828 -106.952 -220.317 54.8954 -286.062 PRESSAVG: 3005000 -25.9295 6.23449 -17.5314 6.2345 8.41382 -13.4224 -17.5314 -13.4223 -15.9959 GPRESSAVG: 3005000 -25.102 5.84346 -16.4186 6.81002 7.29286 -12.3831 -19.0654 -14.0745 -15.5041 TIMING: 3005000 CPU: 9559.95, 0.00315326/step Wall: 9559.95, 0.00315326/step, 1.74743 hours remaining, 239.953125 MB of memory in use. ENERGY: 3005000 4009.3342 20561.4824 14524.0167 255.0470 -203164.7966 2362.3908 0.0000 0.0000 52007.8796 -109444.6459 298.8900 -161452.5256 -109084.6139 299.7109 -406.0255 -376.1310 762982.4552 -11.1705 -11.1044 PRESSURE: 3005200 -68.5329 -20.0552 -128.517 -20.0552 362.302 11.9443 -128.516 11.9456 218.745 GPRESSURE: 3005200 -41.1943 44.2949 -133.832 11.9357 346.859 -32.9968 -127.387 -32.393 277.519 PRESSAVG: 3005200 56.44 11.8914 -24.4761 11.8914 -56.2893 -24.7905 -24.4762 -24.7905 -32.5473 GPRESSAVG: 3005200 57.5043 12.273 -26.9425 12.2228 -56.1312 -24.5267 -23.428 -25.7569 -33.5952 TIMING: 3005200 CPU: 9560.58, 0.0031573/step Wall: 9560.58, 0.0031573/step, 1.74949 hours remaining, 239.953125 MB of memory in use. ENERGY: 3005200 3913.4382 20416.5894 14462.0374 241.2623 -203314.2749 2700.1218 0.0000 0.0000 52213.8053 -109367.0206 300.0735 -161580.8260 -109007.7492 299.6414 170.8381 194.3945 760961.9493 -10.7989 -10.7407 PRESSURE: 3005400 -363.351 25.4057 -161.656 25.4058 -148.489 -117.323 -161.656 -117.323 -195.592 GPRESSURE: 3005400 -297.112 27.1135 -201.806 62.4816 -196.886 -43.12 -164.399 -48.7149 -126.958 PRESSAVG: 3005400 35.5638 16.295 -11.9066 16.2951 -23.2066 23.5517 -11.9065 23.5517 20.7636 GPRESSAVG: 3005400 34.9493 15.1599 -10.2459 14.6242 -22.1953 23.1386 -12.1845 26.0576 21.471 TIMING: 3005400 CPU: 9561.21, 0.00313997/step Wall: 9561.21, 0.00313997/step, 1.73972 hours remaining, 239.953125 MB of memory in use. ENERGY: 3005400 3927.1927 20533.7028 14535.8597 261.5719 -203152.8467 2396.0535 0.0000 0.0000 52048.6849 -109449.7812 299.1245 -161498.4660 -109093.9249 299.8550 -235.8108 -206.9853 761562.8727 11.0403 11.4083 PRESSURE: 3005600 -343.563 -144.071 -4.65913 -144.071 -139.526 -29.9629 -4.6591 -29.9623 -48.6868 GPRESSURE: 3005600 -213.206 -136.122 -72.3158 -99.0545 -132.369 53.9731 145.197 13.7405 -94.4216 PRESSAVG: 3005600 25.3479 97.4791 2.34692 97.4791 -27.5389 -59.8215 2.34691 -59.8215 -17.6916 GPRESSAVG: 3005600 27.1022 97.4292 1.76758 99.3571 -28.0989 -60.997 4.08327 -62.6176 -19.0529 TIMING: 3005600 CPU: 9561.84, 0.00315343/step Wall: 9561.84, 0.00315343/step, 1.747 hours remaining, 239.953125 MB of memory in use. ENERGY: 3005600 3944.1964 20537.7838 14405.3505 256.8098 -203354.3254 2437.4040 0.0000 0.0000 52125.3312 -109647.4498 299.5650 -161772.7810 -109285.5543 298.7530 -177.2589 -146.6654 760011.2960 -6.6275 -6.6832 PRESSURE: 3005800 30.8229 -17.727 116.057 -17.726 -123.738 195.138 116.056 195.139 -133.216 GPRESSURE: 3005800 88.9664 5.03662 210.879 -30.8388 -77.2974 94.799 14.0744 244.547 -151.024 PRESSAVG: 3005800 51.062 -44.5758 -4.32186 -44.5758 -38.7784 31.9802 -4.32191 31.9803 12.1286 GPRESSAVG: 3005800 51.279 -42.6393 -3.32476 -45.9525 -38.7011 32.3122 -5.94316 33.0094 12.2142 TIMING: 3005800 CPU: 9562.48, 0.00316492/step Wall: 9562.48, 0.00316492/step, 1.75319 hours remaining, 239.953125 MB of memory in use. ENERGY: 3005800 3944.4710 20569.2345 14449.7656 264.9221 -202870.0290 2366.5520 0.0000 0.0000 51800.9957 -109474.0881 297.7010 -161275.0838 -109116.1616 298.8681 -75.3770 -46.4517 760439.1855 8.1374 8.2640 PRESSURE: 3006000 -346.703 -117.431 28.9177 -117.43 -89.7042 -178.6 28.9186 -178.601 -159.225 GPRESSURE: 3006000 -197.994 -128.714 -4.21516 -41.3387 -115.389 -197.038 59.8734 -84.3619 -205.205 PRESSAVG: 3006000 31.5787 -25.0362 0.538302 -25.0362 -29.1677 -26.7402 0.538279 -26.7402 11.7611 GPRESSAVG: 3006000 30.761 -28.0447 0.91519 -21.9246 -29.5357 -25.0449 0.324499 -26.0516 12.4302 TIMING: 3006000 CPU: 9563.11, 0.00317888/step Wall: 9563.11, 0.00317888/step, 1.76075 hours remaining, 239.953125 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: 3006000 4102.0371 20557.0155 14462.1786 233.4801 -203370.0112 2461.0523 0.0000 0.0000 51956.1827 -109598.0648 298.5929 -161554.2476 -109240.2915 298.9475 -198.5442 -172.8627 759415.8096 4.7240 4.5518 PRESSURE: 3006200 -256.361 133.698 155.384 133.699 12.0588 172.717 155.384 172.715 333.348 GPRESSURE: 3006200 -196.985 75.5369 111.345 31.3713 20.0438 213.723 32.7182 122.385 328.758 PRESSAVG: 3006200 37.9961 -50.6949 34.7737 -50.6949 -27.08 17.8245 34.7737 17.8245 14.2377 GPRESSAVG: 3006200 38.1387 -49.5541 32.8589 -52.6203 -26.5604 17.5378 35.1228 15.4762 13.7692 TIMING: 3006200 CPU: 9563.74, 0.00314514/step Wall: 9563.74, 0.00314514/step, 1.74188 hours remaining, 239.953125 MB of memory in use. ENERGY: 3006200 3995.8918 20684.4129 14434.2301 231.0315 -203147.3245 2331.8689 0.0000 0.0000 51945.2687 -109524.6206 298.5302 -161469.8893 -109163.6120 299.1609 29.6818 50.6055 760445.4325 8.3846 8.4491 PRESSURE: 3006400 85.8863 -200.114 29.6949 -200.114 -288.874 -133.511 29.6947 -133.51 336.093 GPRESSURE: 3006400 64.6911 -164.392 28.1988 -48.9554 -249.133 -158.289 -2.30417 -115.53 407.233 PRESSAVG: 3006400 39.0874 -31.6225 34.9406 -31.6225 -32.5849 13.7802 34.9406 13.7802 -13.2261 GPRESSAVG: 3006400 37.9319 -33.3316 35.5486 -31.8427 -31.8546 11.2207 34.8098 15.4004 -13.7314 TIMING: 3006400 CPU: 9564.37, 0.00314327/step Wall: 9564.37, 0.00314327/step, 1.74067 hours remaining, 239.953125 MB of memory in use. ENERGY: 3006400 3861.4217 20519.9260 14489.6745 240.8745 -203606.3682 2720.5269 0.0000 0.0000 52305.4378 -109468.5068 300.6001 -161773.9446 -109100.5914 298.8916 44.3684 74.2637 760814.5459 -2.2412 -2.5514 PRESSURE: 3006600 325.141 51.4301 238.422 51.4304 -52.0819 3.9716 238.422 3.97149 -65.8015 GPRESSURE: 3006600 364.926 87.3957 255.897 53.4105 -42.2845 102.476 221.55 63.3345 -28.0804 PRESSAVG: 3006600 47.5961 27.8453 -3.80243 27.8452 -33.9251 -34.2382 -3.80245 -34.2382 -0.320398 GPRESSAVG: 3006600 46.6916 30.9432 -4.14101 29.0004 -34.612 -32.6866 -5.46583 -32.709 1.47727 TIMING: 3006600 CPU: 9565, 0.003151/step Wall: 9565, 0.003151/step, 1.74478 hours remaining, 239.953125 MB of memory in use. ENERGY: 3006600 3997.7061 20532.5926 14359.4552 240.9540 -203673.8308 2714.4016 0.0000 0.0000 52278.5007 -109550.2207 300.4453 -161828.7214 -109184.2522 299.3147 69.0859 98.1869 759438.2265 4.4502 4.5190 PRESSURE: 3006800 17.8494 -22.7503 -225.011 -22.7513 -270.707 -282.727 -225.011 -282.727 -265.6 GPRESSURE: 3006800 51.8644 -51.5232 -235.626 -24.0567 -259.786 -342.677 -94.7709 -314.725 -227.783 PRESSAVG: 3006800 34.5522 -25.5417 13.0495 -25.5418 -7.10296 -8.44164 13.0496 -8.44164 2.84449 GPRESSAVG: 3006800 36.4859 -25.6156 15.177 -27.671 -7.63809 -7.37421 13.9917 -10.5956 0.82684 TIMING: 3006800 CPU: 9565.63, 0.00314112/step Wall: 9565.63, 0.00314112/step, 1.73913 hours remaining, 239.953125 MB of memory in use. ENERGY: 3006800 4072.9532 20703.0061 14422.2853 225.3298 -203121.6254 2430.2989 0.0000 0.0000 51879.9980 -109387.7541 298.1551 -161267.7521 -109026.4031 299.3802 -172.8193 -145.2347 761913.1951 10.0979 9.8915 PRESSURE: 3007000 344.271 -33.7453 -164.458 -33.7449 227.85 -87.6091 -164.458 -87.6104 318.603 GPRESSURE: 3007000 279.693 -106.978 -194.915 -42.6127 290.429 -218.439 -211.077 -2.11026 390.501 PRESSAVG: 3007000 92.1307 -32.0615 -42.8713 -32.0615 -106.065 -24.8198 -42.8713 -24.8197 20.1995 GPRESSAVG: 3007000 91.3105 -32.4456 -44.2066 -29.0143 -105.984 -26.9177 -42.4807 -22.3616 20.7217 TIMING: 3007000 CPU: 9566.26, 0.0031518/step Wall: 9566.26, 0.0031518/step, 1.74487 hours remaining, 239.953125 MB of memory in use. ENERGY: 3007000 3979.7702 20541.6171 14391.2055 241.9513 -203782.1377 2961.2786 0.0000 0.0000 52077.0174 -109589.2975 299.2873 -161666.3149 -109231.5734 299.5855 296.9083 320.2080 761451.5384 2.0884 2.0162 PRESSURE: 3007200 72.7123 -157.341 -100.562 -157.341 29.6551 96.5805 -100.562 96.5816 -327.773 GPRESSURE: 3007200 64.3222 -264.594 -15.726 -138.451 93.1836 198.647 -48.3267 -39.5757 -289.663 PRESSAVG: 3007200 32.7043 -29.2478 -28.4542 -29.2478 -10.0089 -22.2744 -28.4542 -22.2744 2.69687 GPRESSAVG: 3007200 32.5348 -29.7385 -28.0186 -31.6825 -10.2597 -22.5182 -27.9615 -23.4848 3.60958 TIMING: 3007200 CPU: 9566.89, 0.00314988/step Wall: 9566.89, 0.00314988/step, 1.74363 hours remaining, 239.953125 MB of memory in use. ENERGY: 3007200 3976.3531 20513.2563 14517.3840 235.2833 -203565.2176 2712.0329 0.0000 0.0000 52163.8696 -109447.0385 299.7865 -161610.9081 -109085.2929 298.6983 -75.1352 -44.0524 762055.3356 8.4641 8.6282 PRESSURE: 3007400 -19.1184 -92.6819 9.52769 -92.682 141.684 29.0903 9.52718 29.0914 105.748 GPRESSURE: 3007400 38.5387 -114.874 23.9826 -205.874 217.357 17.695 -17.0988 -97.571 63.7484 PRESSAVG: 3007400 27.0759 -80.2261 -37.5748 -80.2261 -26.7207 -46.7172 -37.5748 -46.7171 -22.2204 GPRESSAVG: 3007400 26.766 -79.9567 -39.2483 -79.9815 -27.1711 -45.4196 -37.8716 -47.5348 -21.4694 TIMING: 3007400 CPU: 9567.52, 0.00314617/step Wall: 9567.52, 0.00314617/step, 1.7414 hours remaining, 239.953125 MB of memory in use. ENERGY: 3007400 3911.7883 20548.4671 14478.6973 261.2304 -203647.7577 2589.7157 0.0000 0.0000 52040.1336 -109817.7253 299.0754 -161857.8589 -109447.3954 298.7381 76.1045 106.5480 759412.3010 -7.2884 -7.2915 PRESSURE: 3007600 113.632 -16.2235 -20.6344 -16.224 -30.034 -304.571 -20.6352 -304.57 -306.695 GPRESSURE: 3007600 108.627 37.8755 -35.1401 44.0312 18.8667 -348.178 -21.4951 -237.536 -280.692 PRESSAVG: 3007600 61.3148 -45.2711 -7.31267 -45.271 -58.8108 32.657 -7.31264 32.657 -20.4885 GPRESSAVG: 3007600 60.4191 -45.4555 -5.46184 -44.987 -57.1867 31.8288 -8.60796 33.0527 -20.9802 TIMING: 3007600 CPU: 9568.15, 0.00314092/step Wall: 9568.15, 0.00314092/step, 1.73832 hours remaining, 239.953125 MB of memory in use. ENERGY: 3007600 3979.3181 20644.8846 14465.9573 242.6549 -203604.5911 2428.6122 0.0000 0.0000 52086.3873 -109756.7767 299.3412 -161843.1640 -109396.3610 299.1655 -74.3657 -51.0661 760372.6164 -5.9948 -5.9159 PRESSURE: 3007800 -174.078 1.24478 13.6202 1.243 -59.4267 -32.8374 13.62 -32.8362 18.0128 GPRESSURE: 3007800 -31.3712 -58.3895 -6.22572 -133.473 -160.909 -29.3201 -3.45291 52.5517 49.8208 PRESSAVG: 3007800 90.7758 28.6277 -12.2309 28.6277 -29.6721 -38.9384 -12.2308 -38.9385 38.8877 GPRESSAVG: 3007800 92.3162 27.3111 -12.915 28.3765 -31.1857 -39.7565 -12.0442 -38.8582 39.02 TIMING: 3007800 CPU: 9568.77, 0.0031405/step Wall: 9568.77, 0.0031405/step, 1.73792 hours remaining, 239.953125 MB of memory in use. ENERGY: 3007800 4000.9518 20612.3403 14464.1838 238.9746 -203617.5711 2646.6112 0.0000 0.0000 51978.3778 -109676.1316 298.7205 -161654.5094 -109304.8285 299.1654 -71.8305 -47.4865 760750.5681 33.3305 33.3835 PRESSURE: 3008000 38.1072 -65.6343 67.1537 -65.634 235.726 -379.722 67.1534 -379.721 524.706 GPRESSURE: 3008000 121.353 -15.9262 12.5294 -78.8393 282.557 -369.101 -52.9414 -289.759 482.263 PRESSAVG: 3008000 28.971 -30.1155 12.0213 -30.1155 -42.6658 9.47148 12.0212 9.47154 -1.72111 GPRESSAVG: 3008000 29.2951 -30.4923 10.43 -29.564 -42.2634 10.6669 12.1892 8.90648 -2.80785 TIMING: 3008000 CPU: 9569.4, 0.00313818/step Wall: 9569.4, 0.00313818/step, 1.73646 hours remaining, 239.953125 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: 3008000 3975.4698 20576.4101 14477.3982 248.5889 -203567.5677 2688.1572 0.0000 0.0000 51778.2621 -109823.2814 297.5704 -161601.5435 -109454.8276 298.9419 266.1796 295.3911 760684.0070 -5.1386 -5.2587 PRESSURE: 3008200 301.814 -59.0222 -99.3695 -59.0218 -349.139 -149.156 -99.3704 -149.157 -175.642 GPRESSURE: 3008200 257.569 -8.17224 -74.9978 -36.1112 -236.089 -247.883 -174.716 -145.588 -169.281 PRESSAVG: 3008200 72.0196 -39.2449 -0.57087 -39.245 -66.1206 1.07958 -0.570824 1.07965 -2.62523 GPRESSAVG: 3008200 71.0686 -39.9758 -1.10545 -37.9511 -65.2608 1.00589 -0.0974479 1.15156 -2.31395 TIMING: 3008200 CPU: 9570.03, 0.00314096/step Wall: 9570.03, 0.00314096/step, 1.73783 hours remaining, 239.953125 MB of memory in use. ENERGY: 3008200 3999.1845 20388.6465 14476.5518 255.5156 -203977.4012 2795.7324 0.0000 0.0000 52007.5311 -110054.2394 298.8880 -162061.7704 -109699.8100 298.7066 -74.3224 -49.2668 761701.5860 1.0912 1.1646 LDB: ============= START OF LOAD BALANCING ============== 9582.48 LDB: ============== END OF LOAD BALANCING =============== 9582.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9582.48 LDB: ============= START OF LOAD BALANCING ============== 9582.8 LDB: Largest compute 7056 load 0.035183 is 18.0% of average load 0.195201 LDB: Average compute 0.004410 is 2.3% of average load 0.195201 LDB: TIME 9582.8 LOAD: AVG 0.195201 MAX 0.213418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.008 MB LDB: TIME 9582.8 LOAD: AVG 0.195201 MAX 0.213418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.008 MB LDB: TIME 9582.8 LOAD: AVG 0.195201 MAX 0.213418 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.008 MB LDB: ============== END OF LOAD BALANCING =============== 9582.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9582.81 PRESSURE: 3008400 -398.704 -187.112 220.878 -187.112 -436.807 72.404 220.878 72.4038 -157.892 GPRESSURE: 3008400 -387.817 -254.293 240.426 -74.2767 -319.41 72.0851 201.369 139.123 -207.602 PRESSAVG: 3008400 34.7992 -25.4007 70.1446 -25.4007 -13.7066 -15.5385 70.1446 -15.5385 -25.7969 GPRESSAVG: 3008400 34.3383 -23.6493 71.7952 -26.3385 -12.5855 -14.8894 70.2648 -14.1959 -26.1743 TIMING: 3008400 CPU: 9570.67, 0.00321872/step Wall: 9570.67, 0.00321872/step, 1.78066 hours remaining, 239.839844 MB of memory in use. ENERGY: 3008400 4157.3319 20396.5559 14417.5861 237.5007 -203306.8852 2186.3665 0.0000 0.0000 51887.9594 -110023.5848 298.2008 -161911.5442 -109659.0325 298.6120 -331.1345 -304.9428 761707.7549 -1.5681 -1.4738 PRESSURE: 3008600 -193.819 -57.2045 -108.93 -57.2038 -297.528 -27.4124 -108.93 -27.4115 23.6513 GPRESSURE: 3008600 -43.2498 4.18871 -134.457 -24.3957 -317.829 -9.445 -18.2719 -107.06 -9.51926 PRESSAVG: 3008600 0.650397 -25.887 -45.4389 -25.887 15.5809 11.652 -45.4389 11.6521 -22.3749 GPRESSAVG: 3008600 2.43841 -25.8119 -46.0539 -26.8663 13.6501 11.8139 -45.0336 10.0317 -21.6846 TIMING: 3008600 CPU: 9571.3, 0.00314664/step Wall: 9571.3, 0.00314664/step, 1.74062 hours remaining, 240.042969 MB of memory in use. ENERGY: 3008600 3997.1800 20550.2975 14469.0349 260.4092 -203490.5308 2370.2156 0.0000 0.0000 51800.9059 -110042.4876 297.7005 -161843.3936 -109676.5528 298.8336 -155.8986 -123.5327 760925.6322 -2.0479 -1.8653 PRESSURE: 3008800 -166.788 -49.1293 -72.4079 -49.1305 -24.4306 17.9663 -72.4084 17.9657 -100.375 GPRESSURE: 3008800 -167.209 -70.6052 -0.988556 -64.4496 89.0867 42.0351 -8.81109 -47.7591 -143.545 PRESSAVG: 3008800 14.7049 -12.4763 13.8658 -12.4763 -5.21414 -31.5929 13.8659 -31.5929 11.1825 GPRESSAVG: 3008800 13.2677 -14.4948 13.9907 -12.0211 -3.52264 -33.623 14.8006 -30.2139 9.99931 TIMING: 3008800 CPU: 9571.93, 0.00312463/step Wall: 9571.93, 0.00312463/step, 1.72827 hours remaining, 240.042969 MB of memory in use. ENERGY: 3008800 3959.9272 20594.3739 14439.8762 241.8997 -203884.6527 2728.2924 0.0000 0.0000 51673.1679 -110247.1154 296.9664 -161920.2833 -109883.8684 297.9032 -97.1980 -73.8891 759440.5899 6.8911 6.5814 PRESSURE: 3009000 -101.073 46.0776 17.7967 46.0784 -38.1178 -98.5814 17.7968 -98.5817 -37.6397 GPRESSURE: 3009000 -44.3509 1.35828 -6.99588 95.6352 -104.709 -82.7992 -21.0689 -63.103 55.4306 PRESSAVG: 3009000 3.91243 -32.523 38.389 -32.523 36.591 -8.13288 38.389 -8.13289 -4.0532 GPRESSAVG: 3009000 3.42061 -31.7004 38.0479 -30.9656 35.3815 -7.71065 38.0365 -9.556 -1.94387 TIMING: 3009000 CPU: 9572.55, 0.00312404/step Wall: 9572.55, 0.00312404/step, 1.72777 hours remaining, 240.042969 MB of memory in use. ENERGY: 3009000 4023.5561 20531.9517 14466.8037 238.2153 -203536.6640 2251.5223 0.0000 0.0000 51817.4644 -110207.1505 297.7957 -162024.6149 -109841.2783 297.4704 -58.9435 -31.2098 759569.1955 12.1501 12.2861 PRESSURE: 3009200 -234.459 33.8395 -29.9449 33.8391 -32.2107 -88.0937 -29.9439 -88.0942 77.505 GPRESSURE: 3009200 -226.196 50.5897 19.8739 20.2563 12.9097 -33.9394 8.41536 -3.22867 115.964 PRESSAVG: 3009200 -18.5591 -51.0192 51.6978 -51.0193 30.1061 14.2774 51.6978 14.2775 -0.747503 GPRESSAVG: 3009200 -19.3563 -51.0975 49.9706 -49.9714 31.5392 14.7656 52.847 14.4091 -1.32906 TIMING: 3009200 CPU: 9573.18, 0.0031425/step Wall: 9573.18, 0.0031425/step, 1.7378 hours remaining, 240.042969 MB of memory in use. ENERGY: 3009200 3962.9868 20422.6118 14423.5150 229.8917 -203956.7962 2506.1800 0.0000 0.0000 52116.4974 -110295.1135 299.5142 -162411.6109 -109930.9905 297.9998 -63.0548 -32.4406 759320.8254 3.5998 3.6180 PRESSURE: 3009400 -43.2695 -116.543 139.099 -116.542 -193.103 28.4093 139.099 28.4095 18.4935 GPRESSURE: 3009400 20.0148 -231.579 150.597 -142.45 -204.742 91.4306 92.1281 44.0188 51.0058 PRESSAVG: 3009400 -28.0244 -29.3133 -9.60511 -29.3133 -10.7959 -38.3096 -9.60519 -38.3097 -16.9764 GPRESSAVG: 3009400 -26.6283 -28.3758 -8.82166 -31.0105 -10.7854 -37.9494 -10.6227 -39.0841 -18.433 TIMING: 3009400 CPU: 9573.81, 0.00314463/step Wall: 9573.81, 0.00314463/step, 1.7388 hours remaining, 240.042969 MB of memory in use. ENERGY: 3009400 3994.7588 20536.3169 14450.4848 264.5216 -203494.4116 2405.0940 0.0000 0.0000 51729.7989 -110113.4366 297.2919 -161843.2355 -109749.5542 297.8277 -72.6262 -44.5738 759360.4331 -18.5989 -18.6156 PRESSURE: 3009600 78.6062 -68.1296 277.983 -68.1296 -273.785 -156.704 277.983 -156.705 120.332 GPRESSURE: 3009600 132.564 16.2071 275.255 -8.13659 -170.863 -135.551 132.55 -296.534 50.241 PRESSAVG: 3009600 21.4561 -15.9154 4.43992 -15.9155 1.81375 -24.0291 4.43986 -24.0291 9.49052 GPRESSAVG: 3009600 21.8295 -15.0703 4.46085 -16.4685 -0.019374 -23.7583 3.96622 -23.0416 10.5845 TIMING: 3009600 CPU: 9574.44, 0.00315175/step Wall: 9574.44, 0.00315175/step, 1.74257 hours remaining, 240.042969 MB of memory in use. ENERGY: 3009600 3929.9770 20491.0670 14445.0059 256.8708 -203382.7528 2403.6601 0.0000 0.0000 52023.7942 -109832.3778 298.9815 -161856.1720 -109471.8124 298.4441 -24.9489 3.9806 759763.3157 10.9201 10.7982 PRESSURE: 3009800 55.5592 103.384 -139.626 103.385 -400.245 228.11 -139.627 228.11 304.377 GPRESSURE: 3009800 17.4536 73.1533 -65.299 29.7127 -343.444 154.761 -90.146 239.196 359.641 PRESSAVG: 3009800 -40.8475 -29.5203 32.023 -29.5204 -17.8651 3.2571 32.023 3.25711 6.67669 GPRESSAVG: 3009800 -41.2223 -31.6643 33.3496 -28.5665 -16.3285 2.39252 30.3462 4.76252 6.14016 TIMING: 3009800 CPU: 9575.07, 0.00313694/step Wall: 9575.07, 0.00313694/step, 1.7342 hours remaining, 240.042969 MB of memory in use. ENERGY: 3009800 3957.8420 20515.7635 14509.6995 250.8229 -203490.8463 2354.6974 0.0000 0.0000 51978.7754 -109923.2456 298.7227 -161902.0210 -109566.5689 298.9879 -13.4361 11.2169 759825.7008 -17.3453 -17.1369 PRESSURE: 3010000 48.7301 -99.4421 135.01 -99.4419 -32.0355 -51.0096 135.01 -51.0087 6.7322 GPRESSURE: 3010000 156.572 -48.7778 125.097 -111.722 13.5567 1.85136 255.468 -133.922 -73.7941 PRESSAVG: 3010000 -62.2859 -48.0763 54.1308 -48.0762 40.6463 33.2606 54.1308 33.2608 -9.7907 GPRESSAVG: 3010000 -62.0083 -47.1611 53.6456 -48.1013 39.3835 33.7073 57.1425 32.5775 -9.1368 TIMING: 3010000 CPU: 9575.7, 0.00315717/step Wall: 9575.7, 0.00315717/step, 1.74521 hours remaining, 240.042969 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: 3010000 3999.2494 20498.5515 14453.3217 241.4758 -203490.1613 2559.6012 0.0000 0.0000 52031.8352 -109706.1266 299.0277 -161737.9618 -109348.1457 298.7332 7.8089 32.1114 761181.6320 -10.4768 -10.5872 PRESSURE: 3010200 -71.9172 16.5154 40.8411 16.515 -436.451 135.542 40.8404 135.541 -157.737 GPRESSURE: 3010200 -79.5614 113.988 -13.6087 25.6612 -430.155 202.361 -107.479 190.453 -85.751 PRESSAVG: 3010200 -26.3381 -21.1892 16.3405 -21.1893 19.7114 6.69916 16.3405 6.69913 -5.92496 GPRESSAVG: 3010200 -25.5686 -18.9234 16.2487 -21.7487 19.5378 6.2057 14.2791 5.73275 -6.14096 TIMING: 3010200 CPU: 9576.32, 0.00312801/step Wall: 9576.32, 0.00312801/step, 1.72892 hours remaining, 240.042969 MB of memory in use. ENERGY: 3010200 3984.5314 20495.4732 14459.4505 246.9448 -203054.6329 2435.1371 0.0000 0.0000 51782.7969 -109650.2990 297.5964 -161433.0959 -109294.1289 298.6063 -222.0352 -198.4891 762379.3018 -4.1839 -4.0573 PRESSURE: 3010400 -264.267 156.636 27.9735 156.637 -557.617 -84.9873 27.9738 -84.9869 -377.133 GPRESSURE: 3010400 -219.357 10.8094 68.5466 248.728 -496.86 -106.433 62.338 3.78847 -395.284 PRESSAVG: 3010400 39.2537 -38.1984 11.3129 -38.1984 -6.68945 16.5305 11.3128 16.5305 -3.06211 GPRESSAVG: 3010400 38.4378 -41.4129 11.7712 -37.1913 -5.18074 17.1899 13.6115 16.7988 -3.51317 TIMING: 3010400 CPU: 9576.95, 0.0031192/step Wall: 9576.95, 0.0031192/step, 1.72388 hours remaining, 240.042969 MB of memory in use. ENERGY: 3010400 4018.3138 20416.3152 14481.7273 251.3616 -203042.9358 2238.8334 0.0000 0.0000 51955.8693 -109680.5152 298.5911 -161636.3846 -109323.0307 298.9400 -399.6727 -370.5003 763734.1064 9.8341 9.9146 PRESSURE: 3010600 -175.48 6.17199 -211.54 6.17174 -132.319 -161.966 -211.539 -161.965 253.458 GPRESSURE: 3010600 -209.329 -34.8303 -158.99 38.8125 -38.7786 -82.9576 -140.097 10.3865 292.46 PRESSAVG: 3010600 -49.1747 20.3019 -1.85754 20.3019 -7.78537 17.6781 -1.8575 17.6782 -4.61932 GPRESSAVG: 3010600 -50.9607 19.9745 -2.03707 19.4952 -6.76643 15.6476 -3.17008 20.162 -3.89247 TIMING: 3010600 CPU: 9577.58, 0.00314274/step Wall: 9577.58, 0.00314274/step, 1.73671 hours remaining, 240.042969 MB of memory in use. ENERGY: 3010600 4008.3258 20627.2839 14440.8304 254.7827 -203530.5666 2437.6033 0.0000 0.0000 52207.2938 -109554.4468 300.0360 -161761.7405 -109196.7053 299.2229 -18.1135 14.7840 760786.0361 -20.5265 -20.5399 PRESSURE: 3010800 -149.244 153.924 -8.62743 153.923 -370.771 220.463 -8.62578 220.464 -62.6507 GPRESSURE: 3010800 -43.9352 45.071 -87.901 74.7577 -325.497 228.289 -10.726 212.503 -129.638 PRESSAVG: 3010800 9.80932 -35.3196 13.9912 -35.3196 -29.5443 -19.9537 13.9912 -19.9537 8.03493 GPRESSAVG: 3010800 10.9084 -34.6811 13.8043 -35.401 -29.4398 -17.7427 13.2377 -22.1475 6.91985 TIMING: 3010800 CPU: 9578.21, 0.00317393/step Wall: 9578.21, 0.00317393/step, 1.75377 hours remaining, 240.042969 MB of memory in use. ENERGY: 3010800 4002.4768 20742.3150 14433.8238 238.9297 -203530.4745 2435.1757 0.0000 0.0000 52197.9443 -109479.8091 299.9823 -161677.7534 -109117.3955 299.9814 -194.2220 -166.3567 760271.8177 -3.9000 -3.8705 PRESSURE: 3011000 -118.261 -68.4426 69.8431 -68.4433 -60.8244 16.4405 69.8435 16.4389 -175.498 GPRESSURE: 3011000 -74.8976 18.114 150.965 -62.4634 -19.5688 66.8708 80.9857 -91.8854 -162.452 PRESSAVG: 3011000 6.52761 -4.87733 7.99219 -4.87736 -50.0642 0.245459 7.99217 0.245435 -8.78569 GPRESSAVG: 3011000 5.929 -2.34343 8.27111 -5.77342 -51.4888 -0.242036 9.07625 1.99351 -7.32849 TIMING: 3011000 CPU: 9578.84, 0.00315218/step Wall: 9578.84, 0.00315218/step, 1.74158 hours remaining, 240.042969 MB of memory in use. ENERGY: 3011000 3946.1879 20366.2610 14498.4632 249.5374 -203262.4665 2469.3670 0.0000 0.0000 52184.1156 -109548.5344 299.9028 -161732.6500 -109180.9676 299.8928 -118.1945 -85.6395 761298.3913 -17.4408 -17.6294 PRESSURE: 3011200 150.798 -90.072 55.0136 -90.0717 -148.75 23.9164 55.0133 23.9163 8.42177 GPRESSURE: 3011200 119.158 -133.347 197.842 33.2747 -52.8243 12.2514 106.129 -44.068 41.694 PRESSAVG: 3011200 32.0347 -39.8466 12.929 -39.8466 -18.5492 -10.1556 12.9291 -10.1556 3.91652 GPRESSAVG: 3011200 31.749 -41.223 14.302 -39.3668 -16.7588 -10.0364 11.8932 -12.8759 2.99673 TIMING: 3011200 CPU: 9579.47, 0.00313399/step Wall: 9579.47, 0.00313399/step, 1.73135 hours remaining, 240.042969 MB of memory in use. ENERGY: 3011200 3948.5751 20637.9034 14440.9079 272.9047 -202870.5820 2116.8049 0.0000 0.0000 52115.2187 -109338.2673 299.5069 -161453.4860 -108977.7378 299.8374 3.4899 36.0093 760188.6852 5.8007 5.9957 PRESSURE: 3011400 -41.5159 181.707 116.565 181.705 -114.718 -192.74 116.565 -192.74 -458.647 GPRESSURE: 3011400 -35.836 69.598 45.8779 -4.28582 -108.285 -259.773 64.4957 -139.697 -381.843 PRESSAVG: 3011400 3.43186 -12.7579 51.6776 -12.7579 -16.2925 -35.684 51.6776 -35.6841 -22.4096 GPRESSAVG: 3011400 4.65472 -12.2321 50.7274 -14.6531 -16.645 -36.9206 49.0891 -33.39 -22.4687 TIMING: 3011400 CPU: 9580.09, 0.00312352/step Wall: 9580.09, 0.00312352/step, 1.7254 hours remaining, 240.042969 MB of memory in use. ENERGY: 3011400 4110.2015 20561.7906 14410.4957 232.1525 -203074.1833 2281.7763 0.0000 0.0000 52165.0268 -109312.7400 299.7931 -161477.7668 -108951.9822 299.7144 -204.9602 -175.3214 759782.4194 -11.7567 -11.4863 PRESSURE: 3011600 120.623 193.752 -78.1209 193.752 227.942 141.991 -78.1218 141.992 220.48 GPRESSURE: 3011600 123.195 198.226 -29.7856 217.412 268.742 128.957 -76.2799 108.091 253.251 PRESSAVG: 3011600 6.00292 63.2647 75.6739 63.2647 -24.193 -17.2653 75.6739 -17.2653 8.58641 GPRESSAVG: 3011600 6.95555 61.7125 75.7319 66.5052 -24.927 -15.6498 78.4586 -16.6864 8.50946 TIMING: 3011600 CPU: 9580.72, 0.00313564/step Wall: 9580.72, 0.00313564/step, 1.73192 hours remaining, 240.042969 MB of memory in use. ENERGY: 3011600 3985.6584 20547.1982 14516.5819 246.5638 -203076.8773 2405.2271 0.0000 0.0000 52144.0408 -109231.6071 299.6725 -161375.6479 -108875.0249 300.0593 189.6813 215.0626 758788.8101 -3.2012 -3.1540 PRESSURE: 3011800 182.373 87.223 384.573 87.2223 -305.513 164.216 384.573 164.216 -579.922 GPRESSURE: 3011800 188.995 130.164 518.672 128.076 -306.865 142.861 337.436 107.752 -509.034 PRESSAVG: 3011800 66.5986 -27.5214 6.58858 -27.5214 -50.3998 0.0483452 6.58856 0.0482457 17.9773 GPRESSAVG: 3011800 65.1424 -27.1762 6.64519 -28.9149 -50.4447 -0.974716 6.43413 -1.34839 18.899 TIMING: 3011800 CPU: 9581.35, 0.00313924/step Wall: 9581.35, 0.00313924/step, 1.73373 hours remaining, 240.042969 MB of memory in use. ENERGY: 3011800 3976.0261 20577.2930 14472.3878 252.6557 -202491.1644 2021.0283 0.0000 0.0000 52007.4991 -109184.2745 298.8878 -161191.7736 -108821.8889 300.1953 -234.3539 -208.9681 760436.9751 11.3920 11.1989 PRESSURE: 3012000 -154.509 -62.6331 -157.031 -62.6323 -287.405 -50.7699 -157.032 -50.7695 -84.274 GPRESSURE: 3012000 -144.022 75.6077 -120.165 -151.683 -293.924 -61.6293 -92.1595 83.6352 -5.7928 PRESSAVG: 3012000 15.4442 0.73262 41.3363 0.732579 -11.9998 46.0759 41.3363 46.0759 -10.9995 GPRESSAVG: 3012000 16.2623 2.51353 40.7154 -0.794138 -12.9979 45.9789 40.6908 45.62 -10.3402 TIMING: 3012000 CPU: 9581.97, 0.00312766/step Wall: 9581.97, 0.00312766/step, 1.72716 hours remaining, 240.042969 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: 3012000 4034.9773 20518.2001 14453.8857 254.6471 -202935.3775 2432.5923 0.0000 0.0000 52063.5492 -109177.5259 299.2099 -161241.0751 -108824.1174 299.8703 -175.3959 -147.9131 760521.8276 -2.5184 -2.3586 PRESSURE: 3012200 298.267 -80.6106 -190.846 -80.6107 -83.238 -83.8414 -190.845 -83.8408 609.251 GPRESSURE: 3012200 284.456 -78.8254 -128.974 -10.2135 17.9501 -56.0363 -180.812 -146.226 604.365 PRESSAVG: 3012200 73.3732 -27.5305 -12.4594 -27.5307 -24.0914 39.187 -12.4595 39.1871 15.4813 GPRESSAVG: 3012200 72.3029 -27.5139 -12.5651 -26.5091 -22.0496 39.4987 -11.7224 38.4865 14.2901 TIMING: 3012200 CPU: 9582.6, 0.00314378/step Wall: 9582.6, 0.00314378/step, 1.73589 hours remaining, 240.042969 MB of memory in use. ENERGY: 3012200 4049.1348 20616.6704 14468.8068 236.1931 -203108.5578 2457.6151 0.0000 0.0000 52100.2540 -109179.8835 299.4209 -161280.1376 -108823.9129 299.8965 274.7601 302.2569 759479.0471 21.5877 21.5145 LDB: ============= START OF LOAD BALANCING ============== 9595.05 LDB: ============== END OF LOAD BALANCING =============== 9595.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.05 LDB: ============= START OF LOAD BALANCING ============== 9595.37 LDB: Largest compute 7031 load 0.036553 is 18.7% of average load 0.195275 LDB: Average compute 0.004419 is 2.3% of average load 0.195275 LDB: TIME 9595.37 LOAD: AVG 0.195275 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.863 MB LDB: TIME 9595.37 LOAD: AVG 0.195275 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: TIME 9595.37 LOAD: AVG 0.195275 MAX 0.215716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: ============== END OF LOAD BALANCING =============== 9595.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.38 PRESSURE: 3012400 -142.671 0.165283 -92.5671 0.164839 166.278 187.633 -92.5672 187.633 308.424 GPRESSURE: 3012400 0.829485 -91.6884 -112.388 -30.596 111.768 208.123 -57.1676 232.965 308.581 PRESSAVG: 3012400 4.3502 47.2768 -24.3122 47.2768 -18.7765 -2.35374 -24.3122 -2.35379 -21.0148 GPRESSAVG: 3012400 5.5542 44.0575 -23.7016 47.3652 -19.9639 -1.22379 -23.6474 -3.88481 -20.7962 TIMING: 3012400 CPU: 9583.24, 0.00318883/step Wall: 9583.24, 0.00318883/step, 1.76059 hours remaining, 240.613281 MB of memory in use. ENERGY: 3012400 3984.0429 20597.3952 14472.9622 245.6535 -203097.3396 2360.3019 0.0000 0.0000 52193.5520 -109243.4319 299.9571 -161436.9839 -108875.9116 300.0061 110.6772 140.3928 761696.2520 -11.8137 -11.7353 PRESSURE: 3012600 83.0206 41.5978 50.4818 41.5977 -2.3237 -196.376 50.4816 -196.375 -295.723 GPRESSURE: 3012600 61.6863 54.3659 71.0436 42.4676 67.7359 -154.752 22.404 70.5934 -272.681 PRESSAVG: 3012600 -29.7112 -48.7765 -4.25637 -48.7764 -10.0635 -60.8039 -4.25636 -60.8039 -4.22648 GPRESSAVG: 3012600 -29.9633 -47.1368 -5.46747 -48.7179 -9.8107 -60.6063 -6.0408 -56.907 -3.90633 TIMING: 3012600 CPU: 9583.87, 0.00314539/step Wall: 9583.87, 0.00314539/step, 1.73643 hours remaining, 240.613281 MB of memory in use. ENERGY: 3012600 4082.9352 20527.7564 14494.3159 223.4073 -203283.1508 2406.3606 0.0000 0.0000 52030.1885 -109518.1867 299.0182 -161548.3753 -109158.8246 299.5041 -71.6754 -47.7529 761358.6384 -14.6671 -14.5601 PRESSURE: 3012800 162.306 -194.81 10.0065 -194.81 257.52 230.357 10.0069 230.355 152.95 GPRESSURE: 3012800 301.932 -119.678 92.0261 -137.047 194.752 187.979 58.9328 312.738 153.954 PRESSAVG: 3012800 3.12814 -43.5326 37.8416 -43.5326 7.43937 45.0057 37.8416 45.0057 -1.98554 GPRESSAVG: 3012800 3.87455 -44.6791 38.8148 -43.9831 7.58415 42.9212 38.7156 41.6983 -3.01435 TIMING: 3012800 CPU: 9584.49, 0.00311989/step Wall: 9584.49, 0.00311989/step, 1.72218 hours remaining, 240.613281 MB of memory in use. ENERGY: 3012800 3930.6666 20449.6523 14478.8579 235.3348 -203265.6437 2536.7794 0.0000 0.0000 52228.3765 -109405.9762 300.1572 -161634.3527 -109039.7302 298.7751 190.9255 216.8795 761097.0107 2.8607 2.8148 PRESSURE: 3013000 -361.603 -169.111 -36.7367 -169.11 94.242 -50.7037 -36.737 -50.7036 -224.817 GPRESSURE: 3013000 -344.676 -205.787 -63.6535 -201.116 91.7127 -80.8698 73.9528 -125.716 -163.082 PRESSAVG: 3013000 20.4953 -52.6349 -62.4587 -52.6349 7.11093 -4.16977 -62.4587 -4.16977 10.6876 GPRESSAVG: 3013000 17.9501 -51.937 -63.5815 -52.7915 6.73095 -4.13308 -62.0183 -3.76224 13.2949 TIMING: 3013000 CPU: 9585.12, 0.00312407/step Wall: 9585.12, 0.00312407/step, 1.72431 hours remaining, 240.613281 MB of memory in use. ENERGY: 3013000 4043.5895 20608.4318 14511.4618 225.1752 -203111.7612 2406.8919 0.0000 0.0000 51943.5254 -109372.6856 298.5202 -161316.2110 -109015.7625 299.4265 -164.0594 -138.6819 762273.7353 12.7646 12.6586 PRESSURE: 3013200 284.842 -53.1593 144.973 -53.16 155.072 6.09505 144.974 6.09531 -104.309 GPRESSURE: 3013200 274.555 16.2536 127.156 -72.7745 223.565 -32.8756 77.2925 -55.2307 -67.7646 PRESSAVG: 3013200 60.7326 -27.3784 -57.6167 -27.3784 -35.9363 -1.04638 -57.6167 -1.04636 11.6732 GPRESSAVG: 3013200 62.1824 -29.4297 -55.5294 -26.8543 -34.8707 -1.50121 -58.8922 1.3078 9.57443 TIMING: 3013200 CPU: 9585.74, 0.00312467/step Wall: 9585.74, 0.00312467/step, 1.72447 hours remaining, 240.613281 MB of memory in use. ENERGY: 3013200 4101.6137 20523.9860 14359.4244 241.8843 -203183.4461 2700.8793 0.0000 0.0000 51873.2365 -109382.4219 298.1162 -161255.6584 -109023.8241 299.2566 111.8684 143.4518 762286.5002 12.1565 12.2954 PRESSURE: 3013400 -5.0617 -65.2505 -113.022 -65.2497 -187.397 121.98 -113.021 121.98 283.382 GPRESSURE: 3013400 55.9488 -62.0195 -132.542 19.3672 -147.968 62.6956 5.21133 -31.9511 277.905 PRESSAVG: 3013400 27.5968 -53.2996 2.36181 -53.2996 -10.7207 -36.8399 2.36184 -36.8398 8.86048 GPRESSAVG: 3013400 27.766 -52.1632 0.869008 -54.7984 -11.3728 -35.4903 1.84286 -41.6165 9.43316 TIMING: 3013400 CPU: 9586.37, 0.00312381/step Wall: 9586.37, 0.00312381/step, 1.72382 hours remaining, 240.613281 MB of memory in use. ENERGY: 3013400 4023.9605 20479.0050 14502.6352 248.1927 -203249.9519 2472.5924 0.0000 0.0000 52137.8276 -109385.7386 299.6368 -161523.5662 -109032.4196 299.2158 30.3078 61.9622 760513.5213 8.5789 8.6088 PRESSURE: 3013600 -370.375 -104.792 -84.1874 -104.792 41.2074 1.98541 -84.1869 1.98501 -35.9882 GPRESSURE: 3013600 -246.33 -133.888 -98.9026 -150.411 52.5807 -62.8323 -17.1159 -60.7396 -69.4595 PRESSAVG: 3013600 -11.2191 -20.2806 1.88101 -20.2805 19.8158 -2.98845 1.88103 -2.9885 13.9248 GPRESSAVG: 3013600 -10.5049 -21.7884 2.68391 -18.5813 19.4164 -4.23393 2.09273 -0.714516 14.178 TIMING: 3013600 CPU: 9587, 0.00313576/step Wall: 9587, 0.00313576/step, 1.73024 hours remaining, 240.613281 MB of memory in use. ENERGY: 3013600 4046.8991 20386.7251 14500.4020 233.4730 -202818.9823 2281.1346 0.0000 0.0000 52023.6164 -109346.7320 298.9804 -161370.3484 -108974.9195 299.3479 -121.7187 -87.7362 761483.8439 7.5072 7.6965 PRESSURE: 3013800 94.7939 268.336 -44.0285 268.337 -101.518 115.205 -44.0275 115.205 216.594 GPRESSURE: 3013800 96.1784 219.155 -118.738 233.786 -63.5016 6.59043 33.7326 88.3886 255.103 PRESSAVG: 3013800 19.2621 22.3371 9.60779 22.3371 -8.31625 -12.6845 9.60778 -12.6845 -3.60819 GPRESSAVG: 3013800 19.1653 24.3741 9.29029 19.9775 -8.09376 -11.8636 10.4481 -12.6209 -3.86894 TIMING: 3013800 CPU: 9587.62, 0.00314356/step Wall: 9587.62, 0.00314356/step, 1.73437 hours remaining, 240.613281 MB of memory in use. ENERGY: 3013800 3960.5630 20513.2714 14519.6128 240.1764 -203205.5520 2611.8194 0.0000 0.0000 52163.1965 -109196.9126 299.7826 -161360.1091 -108838.1340 299.2402 69.9567 95.9266 762803.1365 2.4459 2.4009 PRESSURE: 3014000 8.43846 -25.9785 -133.64 -25.9781 -345.044 87.067 -133.639 87.0671 -234.079 GPRESSURE: 3014000 20.1939 -30.2383 -131.777 98.1594 -297.244 35.5249 -17.0626 95.689 -207.846 PRESSAVG: 3014000 -47.0516 33.1005 2.88427 33.1005 19.158 9.25402 2.88428 9.25402 16.9604 GPRESSAVG: 3014000 -48.9868 33.1313 1.20958 33.3443 20.4343 9.13398 4.1203 8.85126 17.0604 TIMING: 3014000 CPU: 9588.25, 0.00314014/step Wall: 9588.25, 0.00314014/step, 1.73231 hours remaining, 240.613281 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: 3014000 4039.3700 20620.0663 14434.0652 235.6396 -202953.0548 2423.5304 0.0000 0.0000 52138.3837 -109061.9995 299.6400 -161200.3833 -108704.6657 299.7668 -190.2281 -161.6318 761077.0330 -3.6444 -3.8307 PRESSURE: 3014200 -107.975 -91.433 0.0215247 -91.4329 220.248 145.931 0.0211352 145.932 146.704 GPRESSURE: 3014200 -82.2816 -192.382 5.53702 -172.556 220.506 69.006 -10.4978 143.268 207.478 PRESSAVG: 3014200 19.8554 -30.9393 1.06703 -30.9393 -13.4695 -53.6316 1.06707 -53.6316 1.12185 GPRESSAVG: 3014200 21.0847 -31.0313 1.99913 -31.4649 -14.4705 -52.6032 -0.63017 -54.7 0.504953 TIMING: 3014200 CPU: 9588.87, 0.00310948/step Wall: 9588.87, 0.00310948/step, 1.71523 hours remaining, 240.613281 MB of memory in use. ENERGY: 3014200 3941.9169 20521.1679 14452.6930 260.8909 -203065.4599 2556.0480 0.0000 0.0000 52140.4919 -109192.2513 299.6521 -161332.7432 -108828.2735 299.9220 86.3255 115.2341 760685.5524 2.5026 2.3731 PRESSURE: 3014400 49.0155 -254.434 157.368 -254.434 -95.3047 96.92 157.368 96.9194 110.664 GPRESSURE: 3014400 141.874 -178.558 190.856 -140.549 -99.2915 116.333 145.552 51.8964 120.513 PRESSAVG: 3014400 -10.4409 3.33308 -11.0413 3.33303 21.8484 20.5413 -11.0413 20.5412 -18.172 GPRESSAVG: 3014400 -11.3904 1.53058 -11.2356 5.43541 22.605 20.107 -10.2111 19.0319 -18.3789 TIMING: 3014400 CPU: 9589.5, 0.00313664/step Wall: 9589.5, 0.00313664/step, 1.73003 hours remaining, 240.613281 MB of memory in use. ENERGY: 3014400 3922.8545 20502.6009 14452.1811 271.0580 -202880.7456 2421.3503 0.0000 0.0000 52503.5315 -108807.1693 301.7385 -161310.7008 -108439.1239 299.7040 21.4582 54.3652 761297.2386 -2.2548 -2.3881 PRESSURE: 3014600 239.7 62.4352 -76.1528 62.4344 -106.312 6.29706 -76.1523 6.29735 187.34 GPRESSURE: 3014600 183.101 87.5271 -29.9683 76.6658 -46.2897 77.8889 -23.1615 20.8623 254.102 PRESSAVG: 3014600 -58.5823 -5.77018 -51.2475 -5.77014 27.1312 -52.2937 -51.2475 -52.2936 8.37023 GPRESSAVG: 3014600 -58.0976 -2.30247 -52.4122 -7.4109 26.6414 -53.8246 -49.9449 -47.7799 9.02811 TIMING: 3014600 CPU: 9590.13, 0.0031358/step Wall: 9590.13, 0.0031358/step, 1.72939 hours remaining, 240.613281 MB of memory in use. ENERGY: 3014600 3957.7304 20506.3588 14472.7058 266.7262 -202670.2095 2243.8770 0.0000 0.0000 52265.3658 -108957.4454 300.3698 -161222.8112 -108584.7677 300.6453 106.9094 130.3044 761427.4225 -7.6936 -7.4760 PRESSURE: 3014800 -434.771 -37.6616 -139.781 -37.6619 214.393 80.8034 -139.781 80.8036 -192.983 GPRESSURE: 3014800 -382.126 -183.158 -104.836 -64.8854 211.939 84.0113 -190.77 60.934 -161.36 PRESSAVG: 3014800 4.11513 0.331731 -40.0185 0.331709 1.12016 37.3817 -40.0185 37.3818 3.32678 GPRESSAVG: 3014800 3.69582 -1.18956 -39.6803 2.42207 1.10645 39.9925 -41.2789 34.3729 3.86843 TIMING: 3014800 CPU: 9590.76, 0.00314324/step Wall: 9590.76, 0.00314324/step, 1.73332 hours remaining, 240.613281 MB of memory in use. ENERGY: 3014800 3966.4021 20432.2602 14516.6985 264.4452 -203140.3533 2310.6528 0.0000 0.0000 52459.8715 -109190.0229 301.4876 -161649.8944 -108815.2651 300.2250 -137.7869 -110.5156 759960.6105 2.8540 2.8902 PRESSURE: 3015000 189.611 -51.7217 59.6642 -51.7222 -62.6628 17.2247 59.6643 17.223 -33.9016 GPRESSURE: 3015000 292.881 -216.42 12.4409 -27.2221 -116.982 11.2375 101.263 -26.9999 14.132 PRESSAVG: 3015000 3.6199 -21.5806 -11.3704 -21.5805 -16.0606 8.52964 -11.3703 8.5296 6.61799 GPRESSAVG: 3015000 4.32755 -21.3901 -11.3816 -22.4206 -15.9524 7.06295 -13.1009 11.8537 6.22662 TIMING: 3015000 CPU: 9591.38, 0.00312951/step Wall: 9591.38, 0.00312951/step, 1.72558 hours remaining, 240.613281 MB of memory in use. ENERGY: 3015000 3965.3887 20480.2470 14386.6616 251.6066 -202645.6450 2239.2856 0.0000 0.0000 52160.4491 -109162.0063 299.7668 -161322.4554 -108803.5806 299.5099 31.0154 63.3437 760182.2537 -1.9409 -1.7994 PRESSURE: 3015200 -111.076 -170.843 -64.8161 -170.843 -151.078 13.6805 -64.816 13.6807 76.6114 GPRESSURE: 3015200 -153.66 -92.4697 -73.5407 -191.706 -72.0216 -12.0023 -248.719 69.828 148.463 PRESSAVG: 3015200 5.38967 -32.704 -53.6482 -32.704 -6.65493 3.26036 -53.6483 3.26032 8.13189 GPRESSAVG: 3015200 4.35519 -31.4651 -54.0061 -33.4381 -5.74997 5.43096 -50.9641 1.7295 8.61566 TIMING: 3015200 CPU: 9592.01, 0.00313546/step Wall: 9592.01, 0.00313546/step, 1.72868 hours remaining, 240.613281 MB of memory in use. ENERGY: 3015200 3957.4861 20412.4335 14504.1395 247.1162 -203210.7105 2421.8451 0.0000 0.0000 52122.4945 -109545.1956 299.5487 -161667.6901 -109182.9953 299.6501 -61.8474 -25.7394 760744.4906 2.2889 2.4070 PRESSURE: 3015400 -241.626 -208.16 53.9246 -208.16 237.242 58.2794 53.9254 58.2781 286.082 GPRESSURE: 3015400 -248.464 -247.223 79.6214 -118.06 329.704 -27.0257 -109.796 90.5567 299.699 PRESSAVG: 3015400 -27.2781 -55.0127 3.67461 -55.0127 34.8103 -21.6878 3.6746 -21.6879 13.3192 GPRESSAVG: 3015400 -26.1198 -55.9606 6.52545 -55.2768 34.684 -24.4256 2.54169 -21.4034 12.3242 TIMING: 3015400 CPU: 9592.64, 0.00313003/step Wall: 9592.64, 0.00313003/step, 1.72552 hours remaining, 240.613281 MB of memory in use. ENERGY: 3015400 3924.0677 20439.2151 14490.7790 246.3671 -203020.2589 2423.5664 0.0000 0.0000 51973.2044 -109523.0593 298.6907 -161496.2636 -109175.6502 299.0539 93.8994 126.9795 758303.9764 6.9505 6.9628 PRESSURE: 3015600 -407.978 -39.4251 -11.4569 -39.4245 132.047 -23.4618 -11.4579 -23.4625 144.697 GPRESSURE: 3015600 -328.155 -162.344 -42.5383 -15.1366 84.1466 -5.53791 84.9002 -5.94391 182.745 PRESSAVG: 3015600 10.0611 -56.4222 3.36695 -56.4222 -0.343252 4.15379 3.36694 4.15385 -17.0198 GPRESSAVG: 3015600 9.05508 -55.3874 1.04387 -58.0902 -0.149538 3.98649 3.70152 5.05361 -16.0266 TIMING: 3015600 CPU: 9593.27, 0.00314708/step Wall: 9593.27, 0.00314708/step, 1.73474 hours remaining, 240.613281 MB of memory in use. ENERGY: 3015600 3974.7433 20535.3494 14380.2982 244.1088 -203378.4862 2436.6746 0.0000 0.0000 52252.6302 -109554.6818 300.2966 -161807.3120 -109199.1332 299.2870 -43.7447 -20.4212 758070.8039 -2.4340 -2.3737 PRESSURE: 3015800 130.116 -39.0554 3.49329 -39.055 295.243 19.0599 3.49302 19.0587 214.89 GPRESSURE: 3015800 251.103 30.2908 -11.8411 -145.354 293.292 -71.5966 -55.0461 139.676 174.141 PRESSAVG: 3015800 -18.7449 -37.8042 -16.3887 -37.8041 -24.0197 -11.6933 -16.3887 -11.6933 -8.18493 GPRESSAVG: 3015800 -18.2463 -37.2817 -16.8125 -37.0258 -25.37 -11.7109 -16.4047 -12.7787 -8.01234 TIMING: 3015800 CPU: 9593.89, 0.00312504/step Wall: 9593.89, 0.00312504/step, 1.72242 hours remaining, 240.613281 MB of memory in use. ENERGY: 3015800 3940.2161 20526.7841 14483.3439 248.8934 -202931.9216 2382.0304 0.0000 0.0000 51874.7249 -109475.9289 298.1248 -161350.6538 -109109.2940 299.6025 213.4165 239.5117 760288.0492 -16.9832 -17.2095 PRESSURE: 3016000 -49.793 -27.5708 116.565 -27.5715 -314.773 -58.0025 116.565 -58.0024 97.5454 GPRESSURE: 3016000 59.2721 -103.508 146.376 -21.4358 -324.567 -77.5508 -27.8441 -22.8983 96.435 PRESSAVG: 3016000 0.979535 -98.2917 -4.82621 -98.2917 -14.1784 17.9698 -4.8262 17.9699 3.67656 GPRESSAVG: 3016000 1.27813 -100.008 -3.73835 -97.9302 -13.7959 18.5395 -4.30342 18.3305 2.74434 TIMING: 3016000 CPU: 9594.51, 0.00311769/step Wall: 9594.51, 0.00311769/step, 1.71819 hours remaining, 240.613281 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: 3016000 3924.0487 20589.9592 14383.9897 245.1749 -203244.2466 2412.1003 0.0000 0.0000 52187.0802 -109501.8936 299.9199 -161688.9738 -109138.2404 298.9780 -89.0069 -56.2868 760087.3609 -3.1741 -3.2578 PRESSURE: 3016200 -90.5287 37.7898 263.145 37.7898 149.201 138.174 263.144 138.174 -311.998 GPRESSURE: 3016200 -51.1364 -112.908 308.187 94.0604 171.798 94.1057 187.27 165.226 -289.96 PRESSAVG: 3016200 45.0137 -52.928 -13.5601 -52.928 2.0612 34.969 -13.56 34.969 4.1668 GPRESSAVG: 3016200 43.8547 -53.9212 -13.0837 -54.2852 2.33619 34.6976 -13.084 32.5959 4.95171 TIMING: 3016200 CPU: 9595.14, 0.00311311/step Wall: 9595.14, 0.00311311/step, 1.7155 hours remaining, 240.613281 MB of memory in use. ENERGY: 3016200 3989.0454 20738.4851 14446.2334 235.5827 -203015.2485 2157.6992 0.0000 0.0000 51981.6367 -109466.5660 298.7392 -161448.2028 -109106.8690 299.6309 -84.4418 -56.4330 759194.1973 17.0806 17.0475 LDB: ============= START OF LOAD BALANCING ============== 9607.59 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9607.59 LDB: =============== DONE WITH MIGRATION ================ 9607.59 LDB: ============= START OF LOAD BALANCING ============== 9607.9 LDB: Largest compute 7031 load 0.035369 is 18.1% of average load 0.195201 LDB: Average compute 0.004414 is 2.3% of average load 0.195201 LDB: TIME 9607.91 LOAD: AVG 0.195201 MAX 0.218152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 9607.91 LOAD: AVG 0.195201 MAX 0.218152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.652 MB LDB: TIME 9607.91 LOAD: AVG 0.195201 MAX 0.215261 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.652 MB LDB: ============== END OF LOAD BALANCING =============== 9607.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.92 PRESSURE: 3016400 78.7875 -255.826 202.033 -255.827 267.895 37.1982 202.034 37.1982 -146.887 GPRESSURE: 3016400 128.649 -260.279 127.004 -13.5381 262.967 75.872 218.782 36.8709 -129.622 PRESSAVG: 3016400 12.3828 12.1367 -24.5244 12.1367 29.4423 -37.263 -24.5244 -37.263 2.32763 GPRESSAVG: 3016400 12.6331 13.7752 -25.7215 12.9901 30.0233 -36.7039 -23.7504 -36.2967 1.62597 TIMING: 3016400 CPU: 9595.78, 0.00321484/step Wall: 9595.78, 0.00321484/step, 1.77138 hours remaining, 241.066406 MB of memory in use. ENERGY: 3016400 3959.4245 20570.5753 14506.3444 227.5785 -202983.7235 2269.2340 0.0000 0.0000 52047.8941 -109402.6727 299.1200 -161450.5668 -109046.1036 299.3295 66.5985 87.3314 758231.9654 14.7176 14.7608 PRESSURE: 3016600 -140.442 56.3465 107.204 56.3461 27.3216 266.952 107.204 266.952 -88.1746 GPRESSURE: 3016600 -47.9026 -69.4957 127.21 36.5418 3.25155 197.025 130.538 268.851 -72.6655 PRESSAVG: 3016600 41.4326 -53.8292 -43.5448 -53.8291 -6.18634 22.6334 -43.5448 22.6334 -9.66179 GPRESSAVG: 3016600 41.4324 -55.3153 -43.4627 -54.1628 -5.33843 22.2769 -44.8891 23.2039 -10.6224 TIMING: 3016600 CPU: 9596.41, 0.00314156/step Wall: 9596.41, 0.00314156/step, 1.73083 hours remaining, 241.066406 MB of memory in use. ENERGY: 3016600 4006.5630 20446.5058 14449.5789 254.6626 -203196.4704 2513.2471 0.0000 0.0000 52080.5093 -109445.4038 299.3074 -161525.9131 -109086.3071 299.6049 -67.0982 -39.1055 760525.4226 8.5281 8.4905 PRESSURE: 3016800 185.611 -246.408 -17.8226 -246.408 36.0665 84.4213 -17.8226 84.4207 -180.963 GPRESSURE: 3016800 283.778 -228.48 98.0288 -76.9458 41.3723 67.9275 69.1784 98.262 -215.356 PRESSAVG: 3016800 -16.0172 -76.1775 8.97202 -76.1774 20.5573 40.8369 8.97199 40.8369 -0.948547 GPRESSAVG: 3016800 -17.4455 -73.1907 8.99025 -74.8049 19.897 40.7223 10.0355 40.0488 1.01621 TIMING: 3016800 CPU: 9597.04, 0.00314749/step Wall: 9597.04, 0.00314749/step, 1.73392 hours remaining, 241.066406 MB of memory in use. ENERGY: 3016800 4005.2579 20234.3312 14447.4125 251.4801 -202931.2672 2292.0211 0.0000 0.0000 52257.4639 -109443.3005 300.3244 -161700.7644 -109083.4154 299.4946 13.5712 36.5981 759710.1619 1.1972 1.1559 PRESSURE: 3017000 -338.296 -100.709 39.9462 -100.708 -208.066 -26.1613 39.9463 -26.1608 -144.728 GPRESSURE: 3017000 -245.623 -141.815 75.1453 -121.835 -299.172 -39.4993 -47.0735 94.7794 -73.7303 PRESSAVG: 3017000 -4.55248 -43.989 60.0573 -43.989 -3.70299 47.6283 60.0573 47.6283 22.2264 GPRESSAVG: 3017000 -3.14413 -45.9668 60.0011 -44.6512 -5.63208 47.475 57.2424 48.3419 22.4594 TIMING: 3017000 CPU: 9597.66, 0.00313392/step Wall: 9597.66, 0.00313392/step, 1.72627 hours remaining, 241.066406 MB of memory in use. ENERGY: 3017000 4035.8654 20433.3824 14450.4438 229.3385 -202893.5697 2184.2134 0.0000 0.0000 52174.6697 -109385.6566 299.8485 -161560.3263 -109025.0552 299.6693 -230.3635 -206.1749 761521.1156 4.6570 4.5611 PRESSURE: 3017200 -167.166 -71.9714 84.9947 -71.9724 404.247 -34.391 84.9947 -34.3917 328.69 GPRESSURE: 3017200 -111.975 -84.4651 152.718 1.50339 380.782 -56.7148 41.6121 -38.3182 371.054 PRESSAVG: 3017200 -25.4387 -2.52382 41.2497 -2.52376 14.0478 -31.7193 41.2498 -31.7194 29.5696 GPRESSAVG: 3017200 -24.9745 -3.62926 41.1355 -2.67576 14.9122 -31.7039 42.8166 -30.4039 28.4106 TIMING: 3017200 CPU: 9598.29, 0.00314159/step Wall: 9598.29, 0.00314159/step, 1.73032 hours remaining, 241.066406 MB of memory in use. ENERGY: 3017200 3890.8299 20603.5402 14410.8313 234.8202 -203251.0245 2495.6361 0.0000 0.0000 52084.0051 -109531.3616 299.3275 -161615.3667 -109165.8309 299.4591 188.5903 213.2873 761159.7663 6.0596 6.1161 PRESSURE: 3017400 166.925 -83.2412 166.188 -83.2414 233.301 210.496 166.189 210.495 513.014 GPRESSURE: 3017400 141.999 -102.241 161.318 -179.492 323.273 208.398 118.775 172.175 519.411 PRESSAVG: 3017400 -0.827157 7.97111 -10.6156 7.9711 21.3344 -29.9752 -10.6157 -29.9752 13.5986 GPRESSAVG: 3017400 -1.15335 8.08259 -10.5062 7.82356 22.0612 -31.2816 -13.5812 -29.9843 13.5327 TIMING: 3017400 CPU: 9598.92, 0.00314779/step Wall: 9598.92, 0.00314779/step, 1.73356 hours remaining, 241.066406 MB of memory in use. ENERGY: 3017400 3972.0411 20766.4260 14462.3855 254.9584 -203301.7150 2507.0893 0.0000 0.0000 51682.7789 -109656.0358 297.0216 -161338.8148 -109299.3628 299.2112 304.4135 328.2277 759484.4909 11.3686 11.4802 PRESSURE: 3017600 -122.337 89.3017 -104.783 89.3011 -12.0365 -5.60261 -104.783 -5.60327 -123.197 GPRESSURE: 3017600 30.2647 -5.90966 -17.3032 11.0401 -103.241 5.88872 -69.7692 15.7934 -109.577 PRESSAVG: 3017600 -51.921 -18.7391 41.3205 -18.739 27.632 0.144483 41.3206 0.14446 -21.9669 GPRESSAVG: 3017600 -51.591 -19.8836 41.5922 -18.5277 27.6139 1.31704 42.6998 -1.18908 -21.7834 TIMING: 3017600 CPU: 9599.55, 0.00312228/step Wall: 9599.55, 0.00312228/step, 1.71934 hours remaining, 241.066406 MB of memory in use. ENERGY: 3017600 3958.4064 20489.0124 14473.5277 245.0598 -203401.7375 2393.8407 0.0000 0.0000 52135.3905 -109706.5000 299.6228 -161841.8905 -109348.1488 298.8898 -85.8568 -60.8510 761194.7345 -15.4187 -15.2535 PRESSURE: 3017800 -498.308 -85.6531 -3.73117 -85.6539 -149.867 97.6675 -3.73015 97.6687 44.8976 GPRESSURE: 3017800 -502.731 0.450469 -52.9662 -101.887 -64.1186 75.8623 13.3071 147.048 61.4898 PRESSAVG: 3017800 -58.4854 -18.0647 26.8355 -18.0647 59.6926 30.8708 26.8355 30.8708 -0.734445 GPRESSAVG: 3017800 -58.0704 -16.2485 27.9121 -18.0285 59.4414 31.6185 27.906 31.0905 -0.847744 TIMING: 3017800 CPU: 9600.17, 0.00312411/step Wall: 9600.17, 0.00312411/step, 1.72017 hours remaining, 241.066406 MB of memory in use. ENERGY: 3017800 4088.8483 20484.6046 14445.6918 233.7479 -203575.3375 2571.9763 0.0000 0.0000 51936.8643 -109813.6043 298.4819 -161750.4686 -109449.6711 299.3112 -201.0925 -168.4533 760489.7112 0.1576 0.1744 PRESSURE: 3018000 -117.472 125.734 129.583 125.734 60.4631 -246.704 129.583 -246.705 -48.6476 GPRESSURE: 3018000 -89.6296 59.8322 104.456 62.5052 84.4812 -260.222 -1.37073 -17.8468 2.24224 PRESSAVG: 3018000 -51.8106 -19.6688 3.23792 -19.6688 33.5146 -26.5739 3.23785 -26.574 -23.346 GPRESSAVG: 3018000 -53.0509 -20.3753 0.611422 -21.3879 34.4337 -26.6054 4.24452 -26.5661 -22.7727 TIMING: 3018000 CPU: 9600.8, 0.00313248/step Wall: 9600.8, 0.00313248/step, 1.72461 hours remaining, 241.066406 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: 3018000 3930.1301 20467.0156 14421.9386 236.4121 -203239.8826 2406.5910 0.0000 0.0000 52044.8678 -109732.9273 299.1026 -161777.7951 -109368.5469 298.9783 -35.2188 -0.9687 759568.8934 -13.8806 -13.7967 PRESSURE: 3018200 -323.074 -62.3049 -69.4676 -62.3051 -138.736 -259.003 -69.4673 -259.003 -118.513 GPRESSURE: 3018200 -381.899 -86.1993 14.7707 -18.9143 -2.06502 -284.096 -62.0218 -205.666 -109.09 PRESSAVG: 3018200 40.1886 2.13747 5.25529 2.13745 -1.33148 -9.19114 5.25536 -9.19118 -17.8484 GPRESSAVG: 3018200 39.4993 2.91913 5.30795 3.38806 -0.57151 -10.9903 4.37545 -9.1334 -18.1878 TIMING: 3018200 CPU: 9601.42, 0.00312594/step Wall: 9601.42, 0.00312594/step, 1.72083 hours remaining, 241.066406 MB of memory in use. ENERGY: 3018200 4030.4083 20535.0374 14497.0776 234.0254 -203430.3196 2574.2187 0.0000 0.0000 52171.4237 -109388.1285 299.8299 -161559.5522 -109021.0665 299.2579 -193.4410 -164.3513 762018.8580 7.0029 6.9133 PRESSURE: 3018400 -123.651 25.514 42.9251 25.5133 -266.481 67.8264 42.9248 67.8266 -94.6537 GPRESSURE: 3018400 -172.798 68.8437 20.8994 100.757 -198.312 18.1995 68.6388 34.5461 -27.4113 PRESSAVG: 3018400 40.947 2.54896 8.57952 2.54899 -43.9676 -82.9856 8.57954 -82.9855 14.6163 GPRESSAVG: 3018400 42.4354 0.454233 9.08693 4.51822 -45.3786 -82.4779 8.63244 -84.5295 15.0434 TIMING: 3018400 CPU: 9602.05, 0.0031171/step Wall: 9602.05, 0.0031171/step, 1.71579 hours remaining, 241.066406 MB of memory in use. ENERGY: 3018400 4056.3861 20582.5722 14453.3684 245.0853 -203100.5177 2444.0800 0.0000 0.0000 52066.2772 -109252.7484 299.2256 -161319.0256 -108879.7110 299.4066 -161.5952 -132.8404 761424.1800 3.8652 4.0334 PRESSURE: 3018600 222.897 81.7913 -85.9349 81.7914 206.195 -5.30156 -85.936 -5.30208 -136.12 GPRESSURE: 3018600 207.01 105.409 -105.846 90.6949 326.001 24.6605 -120.153 66.7441 -152.326 PRESSAVG: 3018600 21.6446 46.4929 -10.6295 46.493 1.00211 31.7409 -10.6295 31.7409 -4.39336 GPRESSAVG: 3018600 21.6709 47.496 -10.9078 45.1109 1.92245 32.0037 -10.6482 31.811 -5.03598 TIMING: 3018600 CPU: 9602.67, 0.00311171/step Wall: 9602.67, 0.00311171/step, 1.71265 hours remaining, 241.066406 MB of memory in use. ENERGY: 3018600 3991.0298 20571.2939 14446.4358 247.0998 -203408.5896 2599.5984 0.0000 0.0000 52028.6337 -109524.4981 299.0093 -161553.1319 -109163.1809 299.2448 97.6571 126.8952 761377.0168 6.0844 6.1858 PRESSURE: 3018800 -420.541 -8.06388 -170.371 -8.0636 -71.7498 21.9239 -170.372 21.9243 -71.3597 GPRESSURE: 3018800 -420.876 -32.7026 -89.7868 80.0639 -11.865 5.68764 -123.556 110.966 -19.1103 PRESSAVG: 3018800 -61.2543 -5.03571 39.5827 -5.03575 7.24908 -7.34933 39.5827 -7.34931 -10.4563 GPRESSAVG: 3018800 -61.1423 -7.55568 40.3157 -4.04409 7.86416 -6.31852 41.2158 -5.287 -11.3902 TIMING: 3018800 CPU: 9603.29, 0.00311941/step Wall: 9603.29, 0.00311941/step, 1.71672 hours remaining, 241.066406 MB of memory in use. ENERGY: 3018800 3966.0486 20520.8704 14377.3531 242.2617 -203569.5560 2745.8938 0.0000 0.0000 52258.2247 -109458.9037 300.3287 -161717.1285 -109091.8503 298.9434 -187.8835 -150.6172 763320.4883 -21.4871 -21.5561 PRESSURE: 3019000 -70.3477 47.2525 35.2945 47.2525 0.937055 40.8104 35.2946 40.8099 -89.2991 GPRESSURE: 3019000 12.2903 155.059 101.125 2.11769 -22.4285 41.0229 89.2337 75.5284 -66.8394 PRESSAVG: 3019000 46.9709 -29.5752 -12.3975 -29.5752 -25.7469 -12.4813 -12.3975 -12.4813 14.9562 GPRESSAVG: 3019000 46.0285 -28.1533 -12.6657 -30.2849 -25.9783 -11.4164 -13.6143 -13.6882 16.2061 TIMING: 3019000 CPU: 9603.92, 0.00313499/step Wall: 9603.92, 0.00313499/step, 1.72512 hours remaining, 241.066406 MB of memory in use. ENERGY: 3019000 3970.9359 20537.2188 14424.7085 249.1132 -203436.2180 2662.6825 0.0000 0.0000 52109.0473 -109482.5117 299.4714 -161591.5590 -109119.0080 299.1746 -52.9032 -25.6592 761216.7778 12.0600 12.0854 PRESSURE: 3019200 -128.345 147.333 168.487 147.334 -219.338 -79.9718 168.487 -79.9708 -32.446 GPRESSURE: 3019200 -41.8064 160.191 115.345 183.44 -261.053 -98.9054 6.84653 27.3055 -21.4035 PRESSAVG: 3019200 25.684 -30.4255 24.5977 -30.4255 -36.2139 -17.4678 24.5978 -17.4678 9.87557 GPRESSAVG: 3019200 26.2126 -29.2934 23.3877 -30.3748 -36.3844 -18.8582 25.2963 -17.9381 9.06361 TIMING: 3019200 CPU: 9604.55, 0.0031296/step Wall: 9604.55, 0.00312959/step, 1.72197 hours remaining, 241.066406 MB of memory in use. ENERGY: 3019200 3964.5453 20663.2907 14369.8507 232.5660 -202586.4807 2099.3610 0.0000 0.0000 51967.6778 -109289.1892 298.6590 -161256.8670 -108922.9467 299.6638 -126.7096 -108.0877 762800.6807 -0.2181 -0.3694 PRESSURE: 3019400 -80.0702 -40.2763 140.401 -40.2764 -304.061 -17.2961 140.4 -17.2952 -358.702 GPRESSURE: 3019400 15.6017 -145.783 166.607 -206.922 -335.572 -69.4508 303.764 78.4356 -318.811 PRESSAVG: 3019400 61.4994 -39.7345 -11.4328 -39.7344 -79.867 -49.8997 -11.4328 -49.8996 18.9269 GPRESSAVG: 3019400 60.3202 -41.2591 -10.2283 -41.8034 -78.316 -51.3734 -12.3893 -49.1665 18.7102 TIMING: 3019400 CPU: 9605.18, 0.00315718/step Wall: 9605.18, 0.00315718/step, 1.73698 hours remaining, 241.066406 MB of memory in use. ENERGY: 3019400 3958.1769 20615.6187 14550.8239 245.0989 -203131.3547 2362.2405 0.0000 0.0000 52159.9911 -109239.4048 299.7642 -161399.3959 -108870.9846 299.8381 -247.6112 -212.9270 761142.9395 0.1865 0.2381 PRESSURE: 3019600 -2.6457 -63.5901 -152.013 -63.5904 -97.9942 143.011 -152.013 143.01 -13.4228 GPRESSURE: 3019600 -45.0008 -49.9409 -70.1207 -123.327 -12.2409 64.2923 -155.159 111.175 43.333 PRESSAVG: 3019600 5.41777 -38.8905 -27.5379 -38.8906 19.2873 40.7253 -27.5378 40.7253 -4.37698 GPRESSAVG: 3019600 5.60452 -40.0149 -27.7567 -38.5741 17.0479 43.2558 -27.3443 40.1714 -2.31896 TIMING: 3019600 CPU: 9605.8, 0.00312868/step Wall: 9605.8, 0.00312868/step, 1.72112 hours remaining, 241.066406 MB of memory in use. ENERGY: 3019600 3969.1345 20536.7135 14527.4124 237.7162 -202946.5716 2158.5048 0.0000 0.0000 52320.0461 -109197.0441 300.6840 -161517.0902 -108823.9621 300.2968 -38.0209 -4.6362 761535.6967 6.7760 6.7778 PRESSURE: 3019800 117.985 388.778 81.4293 388.778 -128.586 -47.6941 81.4292 -47.694 63.7665 GPRESSURE: 3019800 153.148 260.014 12.8952 304.803 -76.5998 -52.7886 13.9701 19.4146 63.1266 PRESSAVG: 3019800 20.8724 37.7432 18.1207 37.7432 -26.7556 21.7661 18.1207 21.7662 9.50789 GPRESSAVG: 3019800 21.8106 38.3771 18.7811 38.1044 -26.1697 20.3689 18.1395 22.929 8.05645 TIMING: 3019800 CPU: 9606.43, 0.00312233/step Wall: 9606.43, 0.00312233/step, 1.71745 hours remaining, 241.066406 MB of memory in use. ENERGY: 3019800 4037.5627 20549.5384 14497.0741 250.5089 -203118.8378 2288.9558 0.0000 0.0000 52277.6792 -109217.5189 300.4405 -161495.1981 -108851.4055 300.1795 17.7216 46.5582 761335.0335 1.2082 1.2324 PRESSURE: 3020000 -433.081 215.479 131.031 215.479 -489.745 249.516 131.031 249.515 -194.664 GPRESSURE: 3020000 -405.534 195.931 175.906 272.277 -399.146 291.996 2.53337 313.897 -231.801 PRESSAVG: 3020000 26.1219 32.4396 -8.14053 32.4396 -36.4207 -28.3382 -8.14053 -28.3383 5.64666 GPRESSAVG: 3020000 26.964 32.86 -7.6947 33.723 -37.2718 -26.6294 -8.95063 -30.2598 5.86413 TIMING: 3020000 CPU: 9607.05, 0.0031281/step Wall: 9607.05, 0.0031281/step, 1.72046 hours remaining, 241.066406 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: 3020000 4114.5471 20474.7675 14362.3678 233.5041 -202823.8322 2231.2365 0.0000 0.0000 52384.3283 -109023.0809 301.0535 -161407.4091 -108666.7063 300.1758 -372.4969 -345.4938 762950.4560 -1.5507 -1.4812 PRESSURE: 3020200 16.2335 -10.534 143.492 -10.5337 -414.731 -103.139 143.492 -103.139 395.528 GPRESSURE: 3020200 -46.8878 -20.6282 123.028 -11.5775 -324.564 -113.768 263.717 -44.6298 443.272 PRESSAVG: 3020200 -24.9813 28.7974 -8.1127 28.7974 2.73873 1.2483 -8.1127 1.24836 6.59036 GPRESSAVG: 3020200 -26.4318 28.6015 -8.11626 27.8194 4.07002 -2.07861 -6.96943 3.32105 7.02224 TIMING: 3020200 CPU: 9607.68, 0.00313376/step Wall: 9607.68, 0.00313376/step, 1.7234 hours remaining, 241.066406 MB of memory in use. ENERGY: 3020200 4043.3457 20519.6191 14517.7628 231.4860 -202874.2543 2212.1553 0.0000 0.0000 52331.0749 -109018.8105 300.7474 -161349.8854 -108653.8962 300.2741 -0.9897 23.9399 761798.1365 -5.2174 -5.1132 LDB: ============= START OF LOAD BALANCING ============== 9620.13 LDB: ============== END OF LOAD BALANCING =============== 9620.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9620.13 LDB: ============= START OF LOAD BALANCING ============== 9620.45 LDB: Largest compute 7056 load 0.035237 is 18.0% of average load 0.195289 LDB: Average compute 0.004389 is 2.2% of average load 0.195289 LDB: TIME 9620.45 LOAD: AVG 0.195289 MAX 0.214318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 9620.45 LOAD: AVG 0.195289 MAX 0.214318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 9620.45 LOAD: AVG 0.195289 MAX 0.214318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 9620.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9620.46 PRESSURE: 3020400 -134.137 190.563 114.91 190.562 35.1187 122.395 114.909 122.396 -323.976 GPRESSURE: 3020400 -145.686 116.442 69.5918 49.6406 81.5742 250.197 116.376 108.957 -277.521 PRESSAVG: 3020400 50.1335 15.4446 -29.7754 15.4446 -42.8228 15.338 -29.7754 15.3381 -35.1127 GPRESSAVG: 3020400 50.6076 16.4837 -30.7919 15.0578 -43.3902 15.2857 -30.3779 14.9175 -35.3296 TIMING: 3020400 CPU: 9608.32, 0.00320406/step Wall: 9608.32, 0.00320406/step, 1.76188 hours remaining, 239.324219 MB of memory in use. ENERGY: 3020400 3977.9746 20568.7707 14466.5662 253.3170 -202803.6684 2364.3494 0.0000 0.0000 52249.5760 -108923.1145 300.2790 -161172.6905 -108553.5019 300.4002 -140.9981 -113.8775 762856.1665 -9.2673 -9.3707 PRESSURE: 3020600 1.58239 72.0556 -75.5402 72.0564 -30.4383 262.153 -75.5402 262.153 282.5 GPRESSURE: 3020600 35.2962 114.329 -79.804 156.469 79.9034 243.764 -175.56 145.13 229.366 PRESSAVG: 3020600 36.9582 -7.70448 -27.2785 -7.70446 5.62465 66.553 -27.2785 66.5531 -2.67233 GPRESSAVG: 3020600 37.2762 -9.19993 -28.4005 -6.249 5.57852 67.9761 -28.0975 64.5029 -3.30536 TIMING: 3020600 CPU: 9608.94, 0.0031218/step Wall: 9608.94, 0.0031218/step, 1.71647 hours remaining, 239.324219 MB of memory in use. ENERGY: 3020600 4031.4318 20739.0957 14471.2960 230.5191 -202994.0305 2435.7170 0.0000 0.0000 52326.9759 -108758.9951 300.7238 -161085.9710 -108406.0962 300.3960 84.5481 114.8553 761882.9024 13.3035 13.1831 PRESSURE: 3020800 92.1594 -245.003 65.7306 -245.003 -254.488 44.1 65.7306 44.0998 -290.356 GPRESSURE: 3020800 59.5355 -144.212 125.691 -181.55 -201.945 39.5848 -11.8974 188.332 -228.49 PRESSAVG: 3020800 12.3901 -43.4201 38.6613 -43.4201 -3.38506 46.6365 38.6613 46.6365 -13.0002 GPRESSAVG: 3020800 11.9824 -41.3695 39.2073 -43.2859 -2.31226 46.3171 38.9738 49.3783 -13.7174 TIMING: 3020800 CPU: 9609.57, 0.00312083/step Wall: 9609.57, 0.00312083/step, 1.71576 hours remaining, 239.324219 MB of memory in use. ENERGY: 3020800 4025.8983 20485.3423 14548.8954 243.3393 -202995.6534 2246.8984 0.0000 0.0000 52445.2417 -109000.0380 301.4035 -161445.2798 -108627.1245 301.0346 -150.8949 -123.6332 761143.4775 -1.3317 -1.3491 PRESSURE: 3021000 -81.8119 -48.246 -107.6 -48.2459 -484.005 117.53 -107.6 117.53 -64.7767 GPRESSURE: 3021000 33.4162 -96.3967 -140.404 -93.2046 -477.791 125.481 -62.7104 -3.74994 -106.85 PRESSAVG: 3021000 54.0617 26.5694 35.2809 26.5693 -28.8713 73.5435 35.2808 73.5435 -8.84918 GPRESSAVG: 3021000 54.4291 28.128 35.7292 26.1828 -30.5266 73.9153 35.0759 71.2188 -7.9075 TIMING: 3021000 CPU: 9610.19, 0.00312158/step Wall: 9610.19, 0.00312158/step, 1.716 hours remaining, 239.324219 MB of memory in use. ENERGY: 3021000 3999.2887 20605.6013 14528.5103 233.7503 -202733.9102 2229.7847 0.0000 0.0000 51999.4482 -109137.5266 298.8415 -161136.9748 -108774.8481 299.9960 -210.1978 -183.7416 762643.6947 5.4471 5.3317 PRESSURE: 3021200 175.873 -28.1861 -82.6031 -28.1855 -48.3582 485.542 -82.603 485.542 -161.092 GPRESSURE: 3021200 157.811 -51.4764 -91.3639 -121.432 -31.2644 511.449 -15.1482 423.92 -77.5143 PRESSAVG: 3021200 78.2528 -13.3713 18.1371 -13.3713 -75.4936 23.2143 18.137 23.2144 0.440724 GPRESSAVG: 3021200 78.4535 -15.7609 17.6135 -13.4828 -75.4457 22.3187 20.5039 25.3587 0.369909 TIMING: 3021200 CPU: 9610.82, 0.00311585/step Wall: 9610.82, 0.00311585/step, 1.71268 hours remaining, 239.324219 MB of memory in use. ENERGY: 3021200 4007.8162 20461.6078 14479.3520 259.8875 -202949.7843 2269.1347 0.0000 0.0000 52265.8294 -109206.1567 300.3724 -161471.9861 -108838.0853 300.2002 -11.1926 16.3440 762530.8143 1.0667 1.1259 PRESSURE: 3021400 175.343 -157.854 -44.7729 -157.854 -251.187 -182.934 -44.7727 -182.932 274.634 GPRESSURE: 3021400 132.693 -72.8906 5.45115 -15.4062 -94.3367 -156.129 -174.363 -96.9598 234.053 PRESSAVG: 3021400 30.5164 -22.5556 63.4466 -22.5557 -24.0769 10.797 63.4466 10.797 -11.1663 GPRESSAVG: 3021400 30.6426 -21.9537 63.7268 -19.686 -24.1682 12.119 61.3252 7.70835 -11.1873 TIMING: 3021400 CPU: 9611.44, 0.00311661/step Wall: 9611.44, 0.00311661/step, 1.71292 hours remaining, 239.324219 MB of memory in use. ENERGY: 3021400 4034.1339 20570.0538 14405.6503 261.5097 -203410.4107 2704.4923 0.0000 0.0000 52468.1859 -108966.3848 301.5354 -161434.5707 -108605.1892 299.9202 66.2636 90.8030 761310.4301 -1.5756 -1.5709 PRESSURE: 3021600 260.995 -3.34848 245.23 -3.34842 133.183 -232.052 245.232 -232.051 -21.8048 GPRESSURE: 3021600 274.313 -37.4465 234.956 -30.238 153.649 -208.719 346.289 -202.997 16.5399 PRESSAVG: 3021600 32.3258 -39.1122 -7.1476 -39.1122 -51.4947 -78.2091 -7.14763 -78.2091 7.77332 GPRESSAVG: 3021600 32.0612 -37.8593 -6.18245 -40.4583 -51.0577 -79.6443 -9.41209 -77.0735 6.94502 TIMING: 3021600 CPU: 9612.06, 0.00311863/step Wall: 9612.06, 0.00311863/step, 1.71386 hours remaining, 239.324219 MB of memory in use. ENERGY: 3021600 3994.3002 20401.2279 14464.4504 237.5837 -203172.5658 2480.1709 0.0000 0.0000 52424.3081 -109170.5246 301.2832 -161594.8327 -108794.4433 300.2572 124.1242 148.1673 760511.6727 -3.7985 -4.0172 PRESSURE: 3021800 -105.289 36.369 -304.836 36.3687 -203.112 85.4265 -304.836 85.4271 -383.55 GPRESSURE: 3021800 -26.338 56.1969 -303.069 116.697 -239.842 105.591 -106.161 58.2942 -355.486 PRESSAVG: 3021800 22.5014 -49.7739 39.7986 -49.7738 -26.9239 3.20874 39.7986 3.20868 7.57347 GPRESSAVG: 3021800 22.1109 -51.2866 37.9828 -49.324 -26.2803 2.56394 43.1372 4.8568 7.12996 TIMING: 3021800 CPU: 9612.69, 0.00312333/step Wall: 9612.69, 0.00312333/step, 1.71627 hours remaining, 239.324219 MB of memory in use. ENERGY: 3021800 3968.0736 20584.6396 14503.4658 250.0833 -202688.1083 2285.2774 0.0000 0.0000 51887.1667 -109209.4020 298.1963 -161096.5687 -108849.8457 300.2420 -230.6502 -207.2222 761311.3391 1.0503 0.9869 PRESSURE: 3022000 -207.163 -61.3964 50.2902 -61.3962 108.632 -66.3681 50.2909 -66.3693 -144.029 GPRESSURE: 3022000 -127.171 -63.866 37.2266 -79.83 128.066 -62.7176 101.721 -164.009 -138.63 PRESSAVG: 3022000 -12.1607 10.1311 25.6439 10.131 -30.9875 -50.2932 25.6439 -50.2933 10.8738 GPRESSAVG: 3022000 -13.3447 11.1898 26.8037 8.43605 -31.141 -50.3809 25.0645 -52.8431 13.0568 TIMING: 3022000 CPU: 9613.31, 0.003121/step Wall: 9613.31, 0.003121/step, 1.71482 hours remaining, 239.324219 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: 3022000 3966.3849 20474.1472 14403.9533 268.3792 -202857.5107 2326.2417 0.0000 0.0000 52153.3173 -109265.0872 299.7258 -161418.4045 -108906.0623 299.5065 -80.8533 -45.9118 761201.4018 -10.7581 -10.4763 PRESSURE: 3022200 42.2733 -229.821 233.99 -229.821 -365.097 -10.7592 233.991 -10.7593 -183.511 GPRESSURE: 3022200 66.943 -160.789 237.797 -157.032 -348.504 -8.76716 109.786 -40.2767 -127.75 PRESSAVG: 3022200 -6.67641 -7.15823 19.5872 -7.15827 20.909 -50.3977 19.5873 -50.3977 -3.0727 GPRESSAVG: 3022200 -6.01395 -8.35026 19.9117 -5.65508 21.6187 -48.2353 17.0407 -49.6154 -4.61303 TIMING: 3022200 CPU: 9613.94, 0.00312865/step Wall: 9613.94, 0.00312865/step, 1.71885 hours remaining, 239.324219 MB of memory in use. ENERGY: 3022200 3978.1357 20449.8845 14459.1627 256.5263 -202964.2306 2169.3796 0.0000 0.0000 52202.6892 -109448.4526 300.0096 -161651.1418 -109083.1013 299.4640 -168.7781 -136.4372 762121.8083 3.7200 3.6639 PRESSURE: 3022400 -116.391 171.537 176.17 171.537 63.1015 -33.5769 176.17 -33.5761 -239.045 GPRESSURE: 3022400 -0.837311 138.992 244.125 22.2752 54.0575 -82.0153 225.702 -78.9392 -254.951 PRESSAVG: 3022400 9.27312 -39.4433 34.4 -39.4433 -10.5552 12.5358 34.4 12.5358 7.74346 GPRESSAVG: 3022400 11.19 -39.8735 32.1354 -39.8817 -11.4994 11.1566 37.8449 11.9507 7.14084 TIMING: 3022400 CPU: 9614.56, 0.00311176/step Wall: 9614.56, 0.00311176/step, 1.70939 hours remaining, 239.324219 MB of memory in use. ENERGY: 3022400 4029.0244 20446.8968 14401.1079 240.3186 -202798.7348 2465.3431 0.0000 0.0000 51878.5901 -109337.4539 298.1470 -161216.0440 -108979.2870 299.6934 -97.4448 -67.2437 761962.0755 2.1538 2.2772 PRESSURE: 3022600 -206.835 40.3671 -61.5089 40.367 -140.057 -43.8305 -61.5078 -43.8308 159.878 GPRESSURE: 3022600 -118.528 71.3989 94.3258 131.277 -126.664 -65.8652 34.9769 -108.402 147.826 PRESSAVG: 3022600 -1.31602 -32.7199 -1.31678 -32.7199 32.2491 -8.44513 -1.31679 -8.4452 4.04961 GPRESSAVG: 3022600 -2.93763 -30.3075 0.600882 -31.8829 31.5415 -7.59997 -1.64376 -6.32976 5.91004 TIMING: 3022600 CPU: 9615.19, 0.00312876/step Wall: 9615.19, 0.00312876/step, 1.71856 hours remaining, 239.324219 MB of memory in use. ENERGY: 3022600 4027.8388 20392.5815 14446.8147 241.9622 -202816.6521 2477.2624 0.0000 0.0000 51921.9523 -109308.2402 298.3962 -161230.1925 -108948.0968 299.1200 -62.3379 -32.4553 762682.6029 11.6609 11.5046 PRESSURE: 3022800 66.7806 -59.6924 73.6566 -59.6921 294.965 -0.705657 73.6571 -0.705138 424.858 GPRESSURE: 3022800 178.572 7.91749 32.6449 -159.591 201.854 -35.0365 44.1732 51.1946 476.198 PRESSAVG: 3022800 -60.3263 -13.2929 27.1954 -13.2929 34.7542 -51.3286 27.1955 -51.3284 6.98908 GPRESSAVG: 3022800 -58.9627 -15.1362 25.2339 -13.5746 34.4054 -50.9521 28.0797 -51.0966 5.96795 TIMING: 3022800 CPU: 9615.81, 0.00313074/step Wall: 9615.81, 0.00313074/step, 1.71947 hours remaining, 239.324219 MB of memory in use. ENERGY: 3022800 3937.0342 20634.4735 14463.6511 260.6343 -203586.2659 2805.2632 0.0000 0.0000 51978.0207 -109507.1889 298.7184 -161485.2096 -109144.0939 299.7152 262.2010 285.5413 760326.7872 -6.1944 -6.1964 PRESSURE: 3023000 -246.994 151.839 -22.1925 151.84 -303.357 -41.9456 -22.1937 -41.9451 19.3949 GPRESSURE: 3023000 -185.834 130.782 26.4161 201.407 -240.106 34.011 6.51172 -62.8955 -18.6096 PRESSAVG: 3023000 12.4528 -9.32004 34.9032 -9.32 17.2539 17.103 34.9033 17.1029 3.00214 GPRESSAVG: 3023000 12.223 -10.8387 36.714 -10.882 18.7798 17.4343 32.6484 17.4123 1.79133 TIMING: 3023000 CPU: 9616.44, 0.00312598/step Wall: 9616.44, 0.00312598/step, 1.71669 hours remaining, 239.324219 MB of memory in use. ENERGY: 3023000 3861.4685 20320.6178 14393.3635 242.9037 -202717.1706 2110.2783 0.0000 0.0000 52096.2257 -109692.3131 299.3977 -161788.5388 -109323.1258 299.0873 -176.9854 -148.1832 761632.8303 10.9030 10.9314 PRESSURE: 3023200 12.3757 28.6836 12.4205 28.6837 286.431 -112.479 12.4198 -112.479 470.911 GPRESSURE: 3023200 101.908 85.0725 -74.9155 -30.2376 266.897 -88.8698 35.3683 -220.965 477.464 PRESSAVG: 3023200 49.7092 1.86762 85.6865 1.86762 -43.3711 -23.4129 85.6865 -23.4128 11.903 GPRESSAVG: 3023200 50.2653 2.8218 85.2009 4.55629 -44.3259 -24.8332 88.6963 -22.8244 12.3741 TIMING: 3023200 CPU: 9617.06, 0.00313131/step Wall: 9617.06, 0.00313131/step, 1.71944 hours remaining, 239.324219 MB of memory in use. ENERGY: 3023200 3964.4812 20369.3785 14361.4291 240.8331 -203454.5278 2816.2746 0.0000 0.0000 52173.6745 -109528.4568 299.8428 -161702.1313 -109164.2898 299.2138 256.5725 282.0896 760945.6446 6.0804 6.1045 PRESSURE: 3023400 -487.664 165.954 174.045 165.954 -181.259 -97.7608 174.045 -97.7599 -262.414 GPRESSURE: 3023400 -465.183 177.052 233.403 144.92 -151.095 -130.926 100.685 -104.166 -224.277 PRESSAVG: 3023400 33.613 -3.08932 56.1587 -3.08937 -15.8001 -22.8217 56.1587 -22.8217 -3.13691 GPRESSAVG: 3023400 32.2293 -5.53522 56.5956 -3.52451 -15.713 -22.9256 54.693 -24.009 -2.42664 TIMING: 3023400 CPU: 9617.69, 0.00313366/step Wall: 9617.69, 0.00313366/step, 1.72056 hours remaining, 239.324219 MB of memory in use. ENERGY: 3023400 4035.2724 20236.5414 14447.7699 259.0381 -203020.1999 2308.0586 0.0000 0.0000 52007.0287 -109726.4909 298.8851 -161733.5195 -109377.9705 299.0926 -310.4457 -280.1851 761107.9412 4.8920 4.6965 PRESSURE: 3023600 -46.0757 -85.4876 4.17755 -85.4865 199.077 -82.2758 4.17889 -82.2762 -156.156 GPRESSURE: 3023600 -9.05369 -105.339 -58.0272 16.1947 262.321 -49.1667 16.3382 -211.742 -161.593 PRESSAVG: 3023600 2.57922 0.871478 67.9881 0.871431 -15.3563 -23.4874 67.9881 -23.4874 -3.46326 GPRESSAVG: 3023600 2.82233 2.67324 67.914 0.0544604 -15.1093 -22.8844 65.9497 -25.2484 -4.0573 TIMING: 3023600 CPU: 9618.32, 0.00313505/step Wall: 9618.32, 0.00313505/step, 1.72114 hours remaining, 239.324219 MB of memory in use. ENERGY: 3023600 3987.7886 20388.3182 14421.7925 237.5027 -203291.8057 2470.4974 0.0000 0.0000 52250.7409 -109535.1656 300.2857 -161785.9064 -109173.3033 298.7017 -1.0515 30.5578 760263.8253 -5.4135 -5.4481 PRESSURE: 3023800 22.3663 113.572 -78.8527 113.571 89.9779 145.105 -78.8542 145.106 261.442 GPRESSURE: 3023800 79.8527 86.2791 6.05612 52.3546 173.853 49.7663 69.9351 64.8511 219.853 PRESSAVG: 3023800 100.036 -71.5111 -25.5447 -71.5112 -64.7188 -27.317 -25.5447 -27.3169 4.13464 GPRESSAVG: 3023800 100.777 -72.3717 -28.0657 -70.7142 -65.2005 -28.3001 -22.1977 -26.9701 3.89281 TIMING: 3023800 CPU: 9618.94, 0.00313544/step Wall: 9618.94, 0.00313544/step, 1.72118 hours remaining, 239.324219 MB of memory in use. ENERGY: 3023800 3943.8193 20477.2328 14422.4024 264.2759 -203079.3627 2438.2149 0.0000 0.0000 52166.6993 -109366.7180 299.8027 -161533.4174 -108996.6221 299.6327 124.5955 157.8528 761761.4155 13.1506 13.1565 PRESSURE: 3024000 21.4793 72.6387 2.17266 72.6387 7.07585 -161.598 2.17291 -161.597 56.0144 GPRESSURE: 3024000 98.2378 -8.11783 84.2932 141.4 -21.3508 -169.787 0.925423 -8.00584 87.0954 PRESSAVG: 3024000 -43.9874 -31.6526 -9.29808 -31.6527 27.9906 -26.3607 -9.29809 -26.3607 8.81912 GPRESSAVG: 3024000 -45.5979 -32.6172 -7.15553 -29.9169 28.7456 -26.0026 -10.5242 -23.6205 9.72814 TIMING: 3024000 CPU: 9619.57, 0.00313103/step Wall: 9619.57, 0.00313103/step, 1.71859 hours remaining, 239.324219 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: 3024000 3945.3321 20487.2057 14372.6298 231.5421 -202843.4807 2329.7553 0.0000 0.0000 52122.8746 -109354.1411 299.5509 -161477.0157 -108987.0731 299.7684 28.1899 54.6608 762741.9402 -2.3926 -2.3747 PRESSURE: 3024200 -260.818 49.2735 123.432 49.2734 -285.86 -324.882 123.432 -324.882 252.768 GPRESSURE: 3024200 -163.396 6.45547 111.801 -8.50875 -252.67 -270.464 228.124 -260.806 205.583 PRESSAVG: 3024200 14.4315 -76.8274 21.659 -76.8273 -4.98884 -44.3833 21.6591 -44.3833 -7.24995 GPRESSAVG: 3024200 16.3804 -74.1774 23.3438 -78.172 -5.9998 -43.9571 20.1664 -45.5358 -8.64753 TIMING: 3024200 CPU: 9620.2, 0.00312873/step Wall: 9620.2, 0.00312873/step, 1.71715 hours remaining, 239.324219 MB of memory in use. ENERGY: 3024200 4065.2105 20479.0142 14433.1497 237.4493 -203384.4612 2471.0116 0.0000 0.0000 52147.1442 -109551.4817 299.6904 -161698.6258 -109181.4922 299.4501 -97.9699 -70.1607 761218.1910 0.7309 0.5777 LDB: ============= START OF LOAD BALANCING ============== 9632.65 LDB: ============== END OF LOAD BALANCING =============== 9632.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9632.65 LDB: ============= START OF LOAD BALANCING ============== 9632.97 LDB: Largest compute 7031 load 0.034778 is 17.8% of average load 0.195330 LDB: Average compute 0.004417 is 2.3% of average load 0.195330 LDB: TIME 9632.97 LOAD: AVG 0.19533 MAX 0.213184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.66 MB LDB: TIME 9632.97 LOAD: AVG 0.19533 MAX 0.213184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: TIME 9632.97 LOAD: AVG 0.19533 MAX 0.213184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: ============== END OF LOAD BALANCING =============== 9632.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9632.98 PRESSURE: 3024400 155.041 -102.195 35.0537 -102.195 55.9018 214.477 35.0548 214.476 -306.831 GPRESSURE: 3024400 120.551 -70.2619 23.2133 -26.6379 130.58 211.245 -20.7636 166.383 -265.523 PRESSAVG: 3024400 17.7716 -30.7222 56.578 -30.7222 -29.9754 -1.43446 56.578 -1.43449 -7.54304 GPRESSAVG: 3024400 15.3713 -30.7247 55.9832 -32.4466 -29.3351 -1.80007 56.5319 -3.69115 -5.53561 TIMING: 3024400 CPU: 9620.84, 0.00321834/step Wall: 9620.84, 0.00321834/step, 1.76615 hours remaining, 240.605469 MB of memory in use. ENERGY: 3024400 3879.3500 20487.6930 14455.0903 256.3507 -203546.3243 2511.5396 0.0000 0.0000 52239.9353 -109716.3653 300.2236 -161956.3006 -109357.3906 298.8049 -31.9627 -4.7972 760110.6880 -6.5823 -6.4998 PRESSURE: 3024600 -184.693 35.2513 70.144 35.2522 -106.537 64.7325 70.145 64.7334 187.354 GPRESSURE: 3024600 -108.015 90.5364 59.1181 27.7348 -68.1736 22.3248 58.6267 88.1877 137.062 PRESSAVG: 3024600 -27.6051 -67.1234 16.0148 -67.1234 50.3307 5.66187 16.0147 5.6619 -1.05959 GPRESSAVG: 3024600 -26.7087 -68.4265 15.7017 -64.9039 50.6994 6.16462 16.1527 8.06417 -2.50169 TIMING: 3024600 CPU: 9621.47, 0.00316155/step Wall: 9621.47, 0.00316155/step, 1.73482 hours remaining, 240.605469 MB of memory in use. ENERGY: 3024600 3971.0642 20500.1348 14341.2680 236.9396 -203264.7765 2629.3658 0.0000 0.0000 51856.3822 -109729.6219 298.0193 -161586.0041 -109373.0549 299.0233 -34.6255 -13.0421 761853.6522 7.2220 7.1630 PRESSURE: 3024800 -134.161 143.22 96.2322 143.22 -353.488 -50.6158 96.2333 -50.615 -256.537 GPRESSURE: 3024800 -137.839 195.667 143.811 119.043 -275.419 -98.2792 69.4393 -9.97963 -247.67 PRESSAVG: 3024800 -4.53038 -22.9617 21.3761 -22.9618 -7.18708 13.3587 21.3761 13.3588 12.9175 GPRESSAVG: 3024800 -4.65077 -21.6763 21.3625 -23.2855 -7.75159 12.1181 22.5706 12.2782 13.2591 TIMING: 3024800 CPU: 9622.11, 0.00318869/step Wall: 9622.11, 0.00318869/step, 1.74953 hours remaining, 240.605469 MB of memory in use. ENERGY: 3024800 3945.4056 20638.5525 14535.3647 241.0415 -203217.3010 2396.1599 0.0000 0.0000 52040.5504 -109420.2265 299.0778 -161460.7769 -109044.4272 299.5172 -248.0621 -220.3097 761181.9329 0.4000 0.2856 PRESSURE: 3025000 317.894 51.912 -51.1735 51.9117 -139.195 62.8677 -51.1738 62.868 160.771 GPRESSURE: 3025000 217.738 -196.753 -10.7123 118.577 1.77243 28.4298 -130.623 88.0087 215.82 PRESSAVG: 3025000 22.7319 3.74701 29.3474 3.74703 9.78734 -0.495211 29.3474 -0.495242 -35.5133 GPRESSAVG: 3025000 21.7853 3.34233 30.3963 3.0247 9.97744 0.49309 26.711 -0.157388 -35.0116 TIMING: 3025000 CPU: 9622.74, 0.00314586/step Wall: 9622.74, 0.00314586/step, 1.72585 hours remaining, 240.605469 MB of memory in use. ENERGY: 3025000 3906.2728 20581.2360 14446.0773 248.8747 -203346.8429 2544.1709 0.0000 0.0000 52227.0839 -109393.1272 300.1498 -161620.2112 -109025.4313 299.6237 113.1567 145.1104 761233.0346 -0.9980 -1.0830 PRESSURE: 3025200 155.057 -231.671 109.217 -231.671 298.803 -74.5517 109.218 -74.5531 -97.1012 GPRESSURE: 3025200 166.643 -104.916 16.4578 -226.623 320.757 -124.428 156.131 31.0541 -62.3917 PRESSAVG: 3025200 37.1758 17.6417 -24.0006 17.6417 -44.2229 5.4184 -24.0007 5.41842 -11.783 GPRESSAVG: 3025200 38.0214 17.0976 -27.185 17.1677 -44.6961 4.80053 -22.9686 6.20113 -12.9673 TIMING: 3025200 CPU: 9623.37, 0.00313388/step Wall: 9623.37, 0.00313388/step, 1.71911 hours remaining, 240.605469 MB of memory in use. ENERGY: 3025200 3979.8744 20592.7974 14421.5326 224.7868 -202983.1002 2229.2565 0.0000 0.0000 52026.1826 -109508.6700 298.9952 -161534.8526 -109159.7667 299.2318 118.9196 141.6693 762031.4208 -6.2767 -6.5473 PRESSURE: 3025400 169.443 -21.5142 -44.2511 -21.5146 133.784 24.292 -44.2505 24.2925 -31.854 GPRESSURE: 3025400 254.933 18.9289 -73.442 7.26135 127.467 73.1223 66.6312 63.4063 -38.5705 PRESSAVG: 3025400 -14.7435 -38.8302 -21.7466 -38.8302 -5.07748 27.5443 -21.7466 27.5443 15.8775 GPRESSAVG: 3025400 -14.4549 -36.542 -21.0531 -39.4439 -6.25242 28.0161 -20.565 26.2354 17.0906 TIMING: 3025400 CPU: 9623.99, 0.00314058/step Wall: 9623.99, 0.00314058/step, 1.72261 hours remaining, 240.605469 MB of memory in use. ENERGY: 3025400 3958.5901 20536.3514 14452.0407 234.6419 -203766.3756 2836.1665 0.0000 0.0000 52051.2361 -109697.3489 299.1392 -161748.5850 -109341.2589 298.8617 90.4575 114.6099 761204.6059 -1.3145 -1.2056 PRESSURE: 3025600 -211.297 50.5515 -125.557 50.5505 -115.749 -93.3784 -125.558 -93.3774 -523.091 GPRESSURE: 3025600 -158.338 -31.9895 -118.766 72.342 -125.479 -93.1094 -124.427 -206.959 -473.29 PRESSAVG: 3025600 -7.69303 -22.6216 -82.6482 -22.6217 39.1241 -24.5895 -82.6482 -24.5894 -13.819 GPRESSAVG: 3025600 -7.50886 -26.3074 -82.7018 -21.1006 38.8187 -23.2811 -84.3113 -24.7684 -13.6235 TIMING: 3025600 CPU: 9624.62, 0.0031402/step Wall: 9624.62, 0.0031402/step, 1.72222 hours remaining, 240.605469 MB of memory in use. ENERGY: 3025600 3978.3627 20453.7731 14401.4425 221.5481 -203672.3155 2866.1866 0.0000 0.0000 51863.4402 -109887.5623 298.0599 -161751.0025 -109520.8481 298.8706 -283.3792 -252.3690 761311.8303 5.8707 5.8955 PRESSURE: 3025800 -236.229 29.7348 -23.7673 29.7338 -121.358 49.1131 -23.7667 49.1142 -84.7438 GPRESSURE: 3025800 -191.415 22.5595 58.9832 33.9775 -126.42 -67.7244 -145.506 46.8615 -31.6153 PRESSAVG: 3025800 -43.5516 -42.3487 -16.0188 -42.3487 7.63311 -54.3548 -16.0187 -54.3548 -20.9434 GPRESSAVG: 3025800 -44.4993 -41.1332 -15.316 -43.0626 9.27437 -55.6856 -16.7415 -54.0161 -21.2931 TIMING: 3025800 CPU: 9625.25, 0.00314893/step Wall: 9625.25, 0.00314893/step, 1.72684 hours remaining, 240.605469 MB of memory in use. ENERGY: 3025800 4005.9721 20499.4494 14429.1132 253.7275 -203710.3504 2698.3761 0.0000 0.0000 52030.2577 -109793.4545 299.0186 -161823.7122 -109422.5017 298.3433 -147.4437 -116.4835 760383.2282 -18.9540 -18.8394 PRESSURE: 3026000 -120.484 83.7286 15.396 83.7295 -1.55526 -200.681 15.3961 -200.681 -103.491 GPRESSURE: 3026000 -89.1777 75.1243 12.5055 112.349 62.83 -156.487 -39.6696 -225.894 -103.015 PRESSAVG: 3026000 1.36429 -37.6225 -31.3755 -37.6225 -19.3032 -19.603 -31.3755 -19.6029 13.5253 GPRESSAVG: 3026000 2.50518 -36.2644 -32.2465 -37.9011 -20.6477 -18.6651 -29.6564 -21.357 13.8443 TIMING: 3026000 CPU: 9625.88, 0.00313189/step Wall: 9625.88, 0.00313189/step, 1.71732 hours remaining, 240.605469 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: 3026000 3995.5721 20628.6880 14501.2151 248.7610 -203747.2499 2634.8705 0.0000 0.0000 51923.9355 -109814.2077 298.4076 -161738.1432 -109454.4170 298.6064 -75.1767 -43.1208 760624.7406 -1.4712 -1.4327 PRESSURE: 3026200 96.4047 80.1235 -196.308 80.1232 -100.396 -148.685 -196.309 -148.684 -353.956 GPRESSURE: 3026200 -25.9432 57.5977 -282.387 115.744 -6.18893 -139.209 -101.298 -24.4658 -258.145 PRESSAVG: 3026200 -32.0202 -58.512 6.70398 -58.512 9.00114 -41.4406 6.704 -41.4406 18.2672 GPRESSAVG: 3026200 -32.8775 -58.5327 9.35077 -58.4487 8.16551 -41.6598 6.03885 -38.5868 19.8401 TIMING: 3026200 CPU: 9626.51, 0.00314482/step Wall: 9626.51, 0.00314482/step, 1.72424 hours remaining, 240.605469 MB of memory in use. ENERGY: 3026200 3926.3758 20474.6034 14410.4445 247.4038 -203643.4809 2610.6612 0.0000 0.0000 52098.8348 -109875.1576 299.4127 -161973.9924 -109500.0806 298.8762 -119.3157 -96.7591 760327.8624 -1.5840 -1.6240 PRESSURE: 3026400 -322.587 -25.8836 35.2854 -25.8836 217.776 187.779 35.2859 187.779 371.107 GPRESSURE: 3026400 -286.105 -62.0348 22.9127 -144.837 235.928 176.797 -36.3614 49.6325 399.075 PRESSAVG: 3026400 -53.5894 -11.0091 -15.201 -11.0091 41.2712 -44.5137 -15.201 -44.5137 5.7023 GPRESSAVG: 3026400 -53.2192 -11.7404 -15.5735 -11.3342 41.1025 -44.17 -15.9689 -44.8801 5.22621 TIMING: 3026400 CPU: 9627.14, 0.00314994/step Wall: 9627.14, 0.00314994/step, 1.72687 hours remaining, 240.605469 MB of memory in use. ENERGY: 3026400 3964.9940 20476.1769 14422.2588 251.0179 -203547.4131 2577.3177 0.0000 0.0000 52288.0751 -109567.5727 300.5003 -161855.6478 -109198.6077 298.7340 88.7653 116.2993 760922.3457 -2.2053 -2.2968 PRESSURE: 3026600 204.613 -105.748 -165.85 -105.747 75.4222 94.9957 -165.849 94.9955 -34.9155 GPRESSURE: 3026600 180.308 -68.0942 -154.438 -79.7914 156.208 129.244 -115.344 83.491 3.73876 PRESSAVG: 3026600 4.70242 10.2029 -10.3996 10.2029 -33.9635 19.1082 -10.3996 19.1082 24.4023 GPRESSAVG: 3026600 4.1751 8.91095 -11.4599 11.3994 -32.43 17.9913 -8.93736 19.3517 23.1702 TIMING: 3026600 CPU: 9627.77, 0.00315732/step Wall: 9627.77, 0.00315732/step, 1.73074 hours remaining, 240.605469 MB of memory in use. ENERGY: 3026600 3939.2438 20400.7734 14505.7654 237.5170 -203711.0998 2733.9397 0.0000 0.0000 52153.5894 -109740.2711 299.7274 -161893.8605 -109367.2699 299.6560 81.7066 113.4182 760454.2305 -1.6196 -1.6949 PRESSURE: 3026800 33.1261 -173.124 -134.171 -173.124 -26.2701 45.7551 -134.171 45.7538 -80.2267 GPRESSURE: 3026800 -10.2558 -144.041 -240.324 -75.162 -32.3958 -16.3584 -215.213 126.073 51.1705 PRESSAVG: 3026800 36.2641 -17.7385 -28.5509 -17.7385 -50.5739 42.8501 -28.5509 42.8499 33.2452 GPRESSAVG: 3026800 37.0494 -17.451 -27.674 -17.1485 -52.4723 43.6448 -28.272 41.4473 33.7056 TIMING: 3026800 CPU: 9628.4, 0.0031344/step Wall: 9628.4, 0.0031344/step, 1.718 hours remaining, 240.605469 MB of memory in use. ENERGY: 3026800 3913.2043 20576.1015 14466.8860 251.3611 -203526.3946 2403.5646 0.0000 0.0000 51783.8641 -110131.4130 297.6026 -161915.2771 -109772.9631 299.1085 -24.4569 2.8396 758908.8632 6.3118 6.0942 PRESSURE: 3027000 -77.7902 -20.1875 127.485 -20.1884 209.478 -103.412 127.484 -103.41 177.962 GPRESSURE: 3027000 -47.0489 90.3309 159.944 -90.0094 239.293 -133.112 77.6414 -73.1686 192.92 PRESSAVG: 3027000 61.1428 -18.06 -15.9552 -18.0601 -52.9457 -33.0402 -15.9553 -33.0402 -17.1488 GPRESSAVG: 3027000 59.5769 -18.2876 -16.552 -17.521 -51.5809 -32.7821 -15.6111 -30.9033 -16.5123 TIMING: 3027000 CPU: 9629.03, 0.00315859/step Wall: 9629.03, 0.00315859/step, 1.73108 hours remaining, 240.605469 MB of memory in use. ENERGY: 3027000 3920.3467 20441.4029 14472.8408 231.3336 -203953.7075 2572.3659 0.0000 0.0000 51970.2603 -110345.1574 298.6738 -162315.4177 -109983.0208 298.4473 103.2166 128.3880 760137.1366 -2.9839 -2.8387 PRESSURE: 3027200 18.8141 26.9191 128.991 26.9195 -226.429 -19.4284 128.991 -19.4269 45.3174 GPRESSURE: 3027200 50.2405 98.2584 128.867 -16.736 -166.451 -75.9188 98.7181 -203.773 42.7217 PRESSAVG: 3027200 -12.9553 -17.2106 45.8209 -17.2106 -2.49701 6.34479 45.8209 6.34484 11.0833 GPRESSAVG: 3027200 -11.5271 -16.5428 44.9664 -19.7699 -3.354 7.58286 45.6137 4.76155 10.8234 TIMING: 3027200 CPU: 9629.66, 0.0031843/step Wall: 9629.66, 0.0031843/step, 1.745 hours remaining, 240.605469 MB of memory in use. ENERGY: 3027200 3937.1131 20496.7058 14479.6743 250.1502 -203558.8388 2376.2381 0.0000 0.0000 51824.5986 -110194.3588 297.8367 -162018.9574 -109820.6651 298.4474 -54.0992 -24.4962 761479.4686 -1.4564 -1.3526 PRESSURE: 3027400 -68.0569 57.4687 -159.365 57.4689 -52.8636 -110.441 -159.365 -110.441 168.895 GPRESSURE: 3027400 -32.1082 82.9984 -199.03 -82.1682 -7.01926 -80.4343 -182.402 26.4501 171.639 PRESSAVG: 3027400 -41.4688 -9.32815 36.5531 -9.32821 41.8094 39.5618 36.553 39.5618 5.40863 GPRESSAVG: 3027400 -42.4351 -8.61872 37.4413 -9.88558 42.9327 37.2996 35.0607 39.4365 5.31928 TIMING: 3027400 CPU: 9630.3, 0.00315882/step Wall: 9630.3, 0.00315882/step, 1.73086 hours remaining, 240.605469 MB of memory in use. ENERGY: 3027400 4053.8364 20218.3139 14486.5940 235.9699 -203778.6378 2619.0288 0.0000 0.0000 51957.9344 -110206.9605 298.6030 -162164.8949 -109844.4097 298.1138 15.9914 44.1704 758912.4236 1.9164 1.9390 PRESSURE: 3027600 -231.669 -55.6465 51.168 -55.6468 68.7175 31.2247 51.1691 31.2232 141.031 GPRESSURE: 3027600 -151.127 -74.6367 67.2868 -113.535 137.132 -44.7934 35.7948 -21.5074 97.9241 PRESSAVG: 3027600 4.52872 0.625452 -13.7602 0.625396 30.2556 0.271566 -13.7602 0.271524 16.704 GPRESSAVG: 3027600 5.22297 0.336591 -14.726 2.98932 30.5317 0.659167 -14.2317 -0.258948 15.6257 TIMING: 3027600 CPU: 9630.92, 0.00314297/step Wall: 9630.92, 0.00314297/step, 1.722 hours remaining, 240.605469 MB of memory in use. ENERGY: 3027600 4010.5448 20385.6733 14458.3328 256.0112 -203859.5972 2667.8657 0.0000 0.0000 51947.7993 -110133.3700 298.5447 -162081.1693 -109770.6464 298.1325 -7.3066 27.9766 760427.7019 17.1628 17.1268 PRESSURE: 3027800 47.746 -111.038 -14.1571 -111.038 -147.823 120.428 -14.1571 120.427 -92.9606 GPRESSURE: 3027800 30.2758 -101.149 32.1094 -32.7497 -95.9142 99.1902 47.5236 32.8934 -41.5864 PRESSAVG: 3027800 26.8835 -7.68375 44.8215 -7.68379 -0.103411 14.9694 44.8214 14.9693 3.42197 GPRESSAVG: 3027800 26.2326 -8.50763 45.7833 -8.91166 0.292884 15.129 45.1898 15.9495 4.35039 TIMING: 3027800 CPU: 9631.55, 0.00314954/step Wall: 9631.55, 0.00314954/step, 1.72542 hours remaining, 240.605469 MB of memory in use. ENERGY: 3027800 3993.0166 20521.3735 14491.2756 243.6111 -203527.5686 2422.6048 0.0000 0.0000 51970.4608 -109885.2261 298.6750 -161855.6869 -109537.0885 298.4515 -64.3458 -35.7416 762130.3491 10.0673 10.2919 PRESSURE: 3028000 89.4253 -127.498 221.072 -127.498 -107.608 -64.5457 221.073 -64.5455 415.544 GPRESSURE: 3028000 59.2367 -10.6664 264.49 -120.468 27.5538 2.83637 171.383 37.7681 408.371 PRESSAVG: 3028000 -49.4075 -38.3486 53.9261 -38.3486 26.1486 -47.5689 53.9261 -47.5689 1.05672 GPRESSAVG: 3028000 -49.7056 -35.2881 53.886 -39.2708 25.7967 -47.4588 53.3853 -46.8911 2.15419 TIMING: 3028000 CPU: 9632.19, 0.00316904/step Wall: 9632.19, 0.00316904/step, 1.73593 hours remaining, 240.605469 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: 3028000 3952.0058 20549.9674 14485.9750 230.5843 -203129.1149 2388.2428 0.0000 0.0000 51634.0694 -109888.2701 296.7417 -161522.3395 -109537.2900 298.2743 132.4540 165.0537 761252.8473 -7.4007 -7.2516 PRESSURE: 3028200 -13.6226 20.7769 116.431 20.7782 -36.208 171.425 116.431 171.425 71.4159 GPRESSURE: 3028200 23.9632 -164.218 94.642 81.6122 75.8759 142.187 50.4587 19.6054 8.9995 PRESSAVG: 3028200 45.4915 -13.8512 71.9305 -13.8512 -5.78736 26.3605 71.9305 26.3604 -15.7984 GPRESSAVG: 3028200 47.8063 -14.4417 70.7157 -13.2488 -6.88546 26.368 72.1688 26.735 -17.2216 TIMING: 3028200 CPU: 9632.82, 0.00313922/step Wall: 9632.82, 0.00313922/step, 1.71942 hours remaining, 240.605469 MB of memory in use. ENERGY: 3028200 3945.5489 20473.2842 14505.0852 261.2487 -202975.9012 2260.0432 0.0000 0.0000 51818.6997 -109711.9912 297.8028 -161530.6909 -109352.8283 298.5576 7.1951 36.2795 761751.7599 7.9686 7.8997 LDB: ============= START OF LOAD BALANCING ============== 9645.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9645.27 LDB: =============== DONE WITH MIGRATION ================ 9645.27 LDB: ============= START OF LOAD BALANCING ============== 9645.58 LDB: Largest compute 7031 load 0.037262 is 19.1% of average load 0.195328 LDB: Average compute 0.004407 is 2.3% of average load 0.195328 LDB: TIME 9645.59 LOAD: AVG 0.195328 MAX 0.214871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 9645.59 LOAD: AVG 0.195328 MAX 0.214871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 9645.59 LOAD: AVG 0.195328 MAX 0.214871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 9645.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9645.59 PRESSURE: 3028400 -9.74101 -109.298 29.0388 -109.299 180.167 -90.7316 29.0387 -90.7322 -126.972 GPRESSURE: 3028400 46.1697 -25.9252 19.4609 16.9415 110.208 5.82064 -94.4907 -83.614 -26.2954 PRESSAVG: 3028400 11.8306 33.2144 3.52139 33.2144 -18.6338 -9.23942 3.52139 -9.23942 -11.5224 GPRESSAVG: 3028400 10.6233 30.8929 4.21841 34.4486 -17.7967 -7.7042 1.56235 -11.0003 -11.6196 TIMING: 3028400 CPU: 9633.46, 0.00321046/step Wall: 9633.46, 0.00321046/step, 1.75826 hours remaining, 239.527344 MB of memory in use. ENERGY: 3028400 3962.6340 20550.5774 14437.8498 234.8119 -203589.7058 2647.5339 0.0000 0.0000 51858.7251 -109897.5737 298.0328 -161756.2988 -109539.8127 298.7621 14.4847 43.3607 761632.5734 -6.1085 -6.2643 PRESSURE: 3028600 -100.832 127.363 32.6233 127.364 -154.258 140.155 32.6228 140.154 -264.601 GPRESSURE: 3028600 3.25769 65.2625 24.1028 135.076 -223.08 158.769 73.3261 41.2933 -244.432 PRESSAVG: 3028600 -7.34921 -4.77465 -6.48295 -4.7747 -0.220637 18.5384 -6.48293 18.5384 1.13566 GPRESSAVG: 3028600 -7.41917 -4.17857 -7.02004 -5.56207 -1.11001 18.2189 -5.00904 19.8661 1.52917 TIMING: 3028600 CPU: 9634.09, 0.00314012/step Wall: 9634.09, 0.00314012/step, 1.71957 hours remaining, 239.527344 MB of memory in use. ENERGY: 3028600 4023.3579 20503.3360 14459.1413 261.2996 -203292.5124 2295.1052 0.0000 0.0000 52084.8179 -109665.4545 299.3322 -161750.2725 -109297.4175 299.1897 -173.2303 -154.7513 761219.4248 -2.1447 -2.3333 PRESSURE: 3028800 -243.157 51.65 -92.7434 51.65 -294.13 -113.833 -92.7432 -113.834 57.2906 GPRESSURE: 3028800 -217.104 76.0593 -114.907 -23.7107 -244.882 -12.8179 -57.5999 -75.75 57.3703 PRESSAVG: 3028800 30.7802 52.8816 -6.71162 52.8816 -23.1902 -10.6309 -6.71163 -10.6309 -0.969398 GPRESSAVG: 3028800 30.6265 52.7219 -6.67554 52.0567 -23.4747 -11.2075 -5.90193 -11.402 -0.0698026 TIMING: 3028800 CPU: 9634.72, 0.00314349/step Wall: 9634.72, 0.00314349/step, 1.72123 hours remaining, 239.527344 MB of memory in use. ENERGY: 3028800 3943.3449 20581.4790 14455.3078 251.9969 -203366.5921 2388.8285 0.0000 0.0000 52161.2327 -109584.4023 299.7713 -161745.6350 -109217.6341 299.5027 -159.9987 -134.8719 759033.0507 2.2069 2.3607 PRESSURE: 3029000 -86.924 -6.76626 159.571 -6.76611 -195.068 117.409 159.57 117.41 -149.809 GPRESSURE: 3029000 -31.7351 119.49 201.946 -95.4428 -151.756 177.633 -18.7403 186.854 -171.265 PRESSAVG: 3029000 24.5561 31.0171 -9.28058 31.0171 -29.0147 10.9624 -9.28061 10.9624 1.2951 GPRESSAVG: 3029000 24.5305 31.9183 -9.2715 30.8512 -29.1624 11.4962 -9.39804 10.5072 1.46715 TIMING: 3029000 CPU: 9635.34, 0.00314227/step Wall: 9635.34, 0.00314227/step, 1.72039 hours remaining, 239.527344 MB of memory in use. ENERGY: 3029000 4068.7145 20620.3101 14439.2640 246.9391 -203192.7786 1994.7138 0.0000 0.0000 52268.8986 -109553.9385 300.3901 -161822.8371 -109194.2186 299.5977 -143.9335 -118.2521 760046.9291 -1.0545 -1.0549 PRESSURE: 3029200 250.432 -150.006 -54.9739 -150.005 -56.8761 108.29 -54.9732 108.29 78.8542 GPRESSURE: 3029200 250 -147.23 -44.9342 -45.0535 -26.6418 94.5255 12.3797 35.4831 132.751 PRESSAVG: 3029200 0.773178 -33.9816 49.6157 -33.9816 -46.8789 46.9485 49.6157 46.9485 -16.9693 GPRESSAVG: 3029200 1.26613 -33.8532 50.4836 -34.0288 -46.9954 46.2602 48.1709 46.6777 -17.4918 TIMING: 3029200 CPU: 9635.97, 0.00313716/step Wall: 9635.97, 0.00313716/step, 1.71742 hours remaining, 239.527344 MB of memory in use. ENERGY: 3029200 4056.5471 20725.0621 14522.3323 228.2291 -203142.7490 2312.1388 0.0000 0.0000 52018.1644 -109280.2753 298.9491 -161298.4397 -108917.9511 299.4831 90.8033 118.7030 760569.0829 -21.0250 -21.0737 PRESSURE: 3029400 -104.689 -91.0033 173.859 -91.0031 420.002 -247.213 173.86 -247.212 -112.437 GPRESSURE: 3029400 -96.9575 -117.49 149.802 -97.542 488.626 -134.748 162.923 -177.229 -103.589 PRESSAVG: 3029400 -61.4449 40.7707 -18.5443 40.7707 22.9351 18.0667 -18.5443 18.0668 15.2013 GPRESSAVG: 3029400 -61.7039 38.6355 -18.9489 42.3164 23.2648 18.035 -16.97 18.7774 15.0622 TIMING: 3029400 CPU: 9636.59, 0.00311343/step Wall: 9636.59, 0.00311343/step, 1.70426 hours remaining, 239.527344 MB of memory in use. ENERGY: 3029400 3975.2698 20603.5660 14485.5928 249.1591 -203264.0229 2566.0479 0.0000 0.0000 52056.7533 -109327.6339 299.1709 -161384.3872 -108952.5611 299.7704 67.6253 96.0263 760512.7189 -7.7695 -7.7923 PRESSURE: 3029600 -343.294 92.7459 3.00338 92.7454 -231.694 -193.287 3.0045 -193.286 61.1239 GPRESSURE: 3029600 -287.529 35.5344 31.5446 84.6052 -211.22 -181.776 41.5989 -315.825 46.3428 PRESSAVG: 3029600 -23.7306 2.56155 -27.1548 2.56151 28.0681 -25.5907 -27.1548 -25.5907 -16.0541 GPRESSAVG: 3029600 -22.6499 3.80885 -26.3607 1.60629 28.7071 -25.829 -25.2385 -25.4098 -17.3016 TIMING: 3029600 CPU: 9637.22, 0.00312936/step Wall: 9637.22, 0.00312936/step, 1.7128 hours remaining, 239.527344 MB of memory in use. ENERGY: 3029600 3943.5372 20638.2276 14462.7585 249.9630 -203273.9871 2408.9137 0.0000 0.0000 51889.0602 -109681.5269 298.2071 -161570.5871 -109322.5654 299.6721 -171.2880 -150.8022 761139.6285 -3.9055 -3.7481 PRESSURE: 3029800 -104.975 -86.3045 -110.883 -86.3048 -37.4211 117.217 -110.883 117.218 325.423 GPRESSURE: 3029800 11.8143 -60.994 -147.874 42.0055 -126.901 57.8465 -72.8655 148.181 360.723 PRESSAVG: 3029800 -23.5638 -7.82284 -28.7031 -7.82286 17.3229 14.3022 -28.7031 14.3023 -12.5059 GPRESSAVG: 3029800 -24.4733 -9.25687 -28.9772 -5.46395 16.4332 15.3122 -33.5858 12.458 -10.4072 TIMING: 3029800 CPU: 9637.85, 0.00312997/step Wall: 9637.85, 0.00312997/step, 1.71296 hours remaining, 239.527344 MB of memory in use. ENERGY: 3029800 3922.8958 20782.0229 14511.0068 249.3727 -203692.7419 2563.5152 0.0000 0.0000 52136.8434 -109527.0851 299.6312 -161663.9285 -109163.7828 299.2535 61.0089 81.8787 761805.7396 -6.2490 -6.1491 PRESSURE: 3030000 143.212 114.492 56.4287 114.492 -376.306 -111.918 56.4294 -111.918 -548.744 GPRESSURE: 3030000 112.747 47.0615 81.9981 -26.7341 -318.889 -64.7164 -5.43301 -80.3616 -479.66 PRESSAVG: 3030000 0.547294 -43.5492 -53.407 -43.5492 -18.6144 -7.33735 -53.4071 -7.33733 10.4804 GPRESSAVG: 3030000 0.311758 -43.1891 -54.8597 -45.3033 -18.4753 -7.98309 -49.1287 -6.33098 10.4746 TIMING: 3030000 CPU: 9638.47, 0.00312148/step Wall: 9638.47, 0.00312148/step, 1.70814 hours remaining, 239.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3030000 4080.3723 20592.7818 14443.6008 240.9604 -202853.3260 2259.3949 0.0000 0.0000 51762.0602 -109474.1555 297.4773 -161236.2157 -109120.8945 299.2380 -260.6128 -228.6007 760025.7040 -2.5289 -2.5630 PRESSURE: 3030200 -55.8009 90.6845 -61.3536 90.6843 -101.414 -54.4991 -61.3532 -54.4999 -211.084 GPRESSURE: 3030200 -27.187 130.483 -68.4215 43.2195 -38.514 -26.7047 -159.208 -143.545 -199.598 PRESSAVG: 3030200 -10.2741 -40.0707 -39.2153 -40.0707 -33.3335 47.2589 -39.2154 47.2589 -17.6039 GPRESSAVG: 3030200 -9.21016 -39.708 -39.158 -39.929 -33.7043 47.55 -41.9739 46.3644 -18.0458 TIMING: 3030200 CPU: 9639.1, 0.00312626/step Wall: 9639.1, 0.00312626/step, 1.71059 hours remaining, 239.527344 MB of memory in use. ENERGY: 3030200 4045.3654 20509.5439 14484.4194 259.1238 -203190.7708 2303.8266 0.0000 0.0000 52268.5907 -109319.9010 300.3883 -161588.4917 -108958.7001 299.8956 -122.7661 -88.4330 761147.3777 -20.4038 -20.3201 PRESSURE: 3030400 -177.795 -87.1006 -24.5662 -87.1003 -306.545 25.0998 -24.5662 25.0999 -206.579 GPRESSURE: 3030400 -155.938 -61.5392 -96.4634 -133.874 -299.58 41.5503 92.0007 51.5496 -162.33 PRESSAVG: 3030400 14.277 -27.2163 -1.37833 -27.2163 -30.5341 43.7484 -1.3783 43.7484 14.1312 GPRESSAVG: 3030400 14.9402 -27.0542 -1.5327 -26.1048 -30.9203 43.5677 -1.74425 44.3528 14.5132 TIMING: 3030400 CPU: 9639.72, 0.00312419/step Wall: 9639.72, 0.00312419/step, 1.70928 hours remaining, 239.527344 MB of memory in use. ENERGY: 3030400 4055.3919 20520.4741 14445.2057 267.1496 -203134.5819 2386.1079 0.0000 0.0000 52077.5633 -109382.6894 299.2905 -161460.2527 -109019.9524 299.9170 -230.3065 -205.9493 760450.4119 -0.7086 -0.4890 PRESSURE: 3030600 5.73325 66.7492 -55.3184 66.7489 -128.62 89.2335 -55.3203 89.2333 -224.72 GPRESSURE: 3030600 77.3289 125.44 -58.0803 15.5464 -42.9959 104.06 -184.924 74.1276 -297.376 PRESSAVG: 3030600 -31.8794 -63.2176 -33.5182 -63.2176 61.1213 7.14551 -33.5182 7.14549 -12.8713 GPRESSAVG: 3030600 -32.314 -60.9869 -32.9859 -65.5166 61.9131 5.84174 -34.1129 6.8329 -13.6298 TIMING: 3030600 CPU: 9640.34, 0.00310935/step Wall: 9640.34, 0.00310935/step, 1.70099 hours remaining, 239.527344 MB of memory in use. ENERGY: 3030600 4119.6261 20355.9924 14540.4662 261.2883 -203020.2937 2212.8878 0.0000 0.0000 52040.2510 -109489.7819 299.0760 -161530.0328 -109127.0740 299.4314 -115.8689 -87.6811 761798.9420 5.4569 5.3231 PRESSURE: 3030800 -54.8585 85.2987 -378.721 85.3003 446.87 188.295 -378.722 188.297 -58.479 GPRESSURE: 3030800 -1.19334 68.8049 -412.26 13.4102 420.176 206.568 -222.747 60.1554 13.8561 PRESSAVG: 3030800 10.9029 19.4309 -4.69089 19.4308 -10.7044 19.3958 -4.69089 19.3959 18.6248 GPRESSAVG: 3030800 11.7277 16.5942 -2.67566 21.5145 -10.3248 19.6365 -3.11288 21.4555 17.4792 TIMING: 3030800 CPU: 9640.97, 0.00313645/step Wall: 9640.97, 0.00313645/step, 1.71564 hours remaining, 239.527344 MB of memory in use. ENERGY: 3030800 3962.0885 20486.7919 14510.9124 253.2522 -203352.0046 2600.0145 0.0000 0.0000 52112.6311 -109426.3139 299.4920 -161538.9451 -109064.2592 299.7667 111.1776 144.2795 759616.0965 6.2745 6.2940 PRESSURE: 3031000 -248.843 14.1225 -11.926 14.1218 -175.704 -147.505 -11.9256 -147.505 -290.226 GPRESSURE: 3031000 -220.965 27.8343 -28.0566 -86.602 -127.684 -118.36 -43.6728 -122.938 -279.968 PRESSAVG: 3031000 29.6818 4.4346 53.1247 4.43459 -8.4766 28.2652 53.1247 28.2652 2.15468 GPRESSAVG: 3031000 28.8442 7.64456 53.0085 0.361597 -8.53766 29.7461 52.4264 26.4395 3.4423 TIMING: 3031000 CPU: 9641.6, 0.00313575/step Wall: 9641.6, 0.00313575/step, 1.71508 hours remaining, 239.527344 MB of memory in use. ENERGY: 3031000 4035.5037 20443.7527 14435.8417 256.3464 -202851.6007 2103.1840 0.0000 0.0000 52205.2249 -109371.7472 300.0241 -161576.9721 -109011.9113 299.9671 -238.2576 -209.5388 761215.6769 7.7866 7.9163 PRESSURE: 3031200 -77.5327 134.04 77.7599 134.04 -1.79653 -151.207 77.7598 -151.206 139.982 GPRESSURE: 3031200 -34.9327 65.13 90.0058 34.4577 -72.5574 -134.939 84.6509 -16.4049 236.357 PRESSAVG: 3031200 65.1248 16.6214 -24.2966 16.6214 6.34701 -0.25982 -24.2966 -0.259828 -12.3599 GPRESSAVG: 3031200 64.6995 14.9097 -26.0873 19.0781 5.20402 -1.33784 -23.5311 -0.580815 -10.7359 TIMING: 3031200 CPU: 9642.23, 0.00315166/step Wall: 9642.23, 0.00315167/step, 1.72361 hours remaining, 239.527344 MB of memory in use. ENERGY: 3031200 4012.3990 20670.8695 14487.4526 258.4690 -203380.5697 2447.7065 0.0000 0.0000 51911.0515 -109592.6216 298.3335 -161503.6731 -109243.8222 299.4772 20.2176 42.9558 760410.2470 19.7040 19.7225 PRESSURE: 3031400 -260.308 81.6891 111.477 81.6894 -58.3026 -78.2824 111.476 -78.2833 -183.15 GPRESSURE: 3031400 -253.724 -17.1638 78.1629 44.5381 9.11608 -159.793 111.791 -68.5354 -154.508 PRESSAVG: 3031400 -2.96938 -51.0218 19.9277 -51.0218 38.8804 13.4055 19.9277 13.4055 14.6374 GPRESSAVG: 3031400 -4.06846 -51.7399 20.7546 -51.5939 40.0978 13.0215 20.3299 11.9767 14.7113 TIMING: 3031400 CPU: 9642.86, 0.00314336/step Wall: 9642.86, 0.00314336/step, 1.7189 hours remaining, 239.527344 MB of memory in use. ENERGY: 3031400 4081.2326 20461.2965 14427.4492 246.7812 -203256.3317 2494.2486 0.0000 0.0000 52166.8686 -109378.4550 299.8037 -161545.3236 -109016.8322 299.7434 -167.2534 -133.0386 760786.5001 16.8495 16.9135 PRESSURE: 3031600 -460.125 -221.721 -23.8197 -221.72 118.665 -138.744 -23.8195 -138.745 56.458 GPRESSURE: 3031600 -408.078 -263.862 -60.7002 -124.558 104.242 -171.255 -16.3076 -154.379 129.079 PRESSAVG: 3031600 -46.2092 -36.593 -51.0008 -36.593 51.325 -81.4344 -51.0007 -81.4344 14.6404 GPRESSAVG: 3031600 -44.4836 -35.7487 -52.1934 -35.4757 51.9654 -81.2939 -51.1915 -81.7727 13.1961 TIMING: 3031600 CPU: 9643.48, 0.00314017/step Wall: 9643.48, 0.00314017/step, 1.71698 hours remaining, 239.527344 MB of memory in use. ENERGY: 3031600 3970.0542 20471.1614 14451.6431 247.8883 -202905.3346 2378.2256 0.0000 0.0000 52226.7509 -109159.6110 300.1479 -161386.3619 -108801.7865 300.1129 -95.0007 -58.2523 762890.6468 6.5854 6.8926 PRESSURE: 3031800 -60.6801 100.454 -47.8707 100.454 -147.559 253.296 -47.8709 253.295 438.995 GPRESSURE: 3031800 -4.04005 131.657 -14.1328 14.9636 -93.3348 220.289 -83.5276 216.761 402.056 PRESSAVG: 3031800 -83.497 -51.5788 -12.6467 -51.5788 45.583 19.0011 -12.6465 19.0012 27.1477 GPRESSAVG: 3031800 -84.2519 -52.1146 -12.4857 -49.95 46.0518 19.7346 -14.4217 19.2242 27.2496 TIMING: 3031800 CPU: 9644.11, 0.00314362/step Wall: 9644.11, 0.00314362/step, 1.71869 hours remaining, 239.527344 MB of memory in use. ENERGY: 3031800 3907.8218 20438.4909 14493.2177 225.5770 -202711.8977 2197.0972 0.0000 0.0000 52188.0042 -109261.6889 299.9252 -161449.6931 -108888.3157 300.1520 76.9185 101.5604 761686.5129 -3.5888 -3.6502 PRESSURE: 3032000 184.681 -108.805 -409.179 -108.805 -34.0894 -62.7273 -409.18 -62.7285 5.17028 GPRESSURE: 3032000 214.302 -80.9633 -313.276 11.9275 79.5046 -26.8693 -296.672 -84.3866 -60.2638 PRESSAVG: 3032000 -25.9648 -44.5151 -25.5678 -44.5151 33.8181 27.2772 -25.5678 27.2772 17.576 GPRESSAVG: 3032000 -25.8526 -44.9003 -25.1827 -44.3631 33.9022 26.0465 -23.735 27.8963 17.7385 TIMING: 3032000 CPU: 9644.74, 0.00312213/step Wall: 9644.74, 0.00312213/step, 1.70677 hours remaining, 239.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3032000 4001.8205 20382.3442 14476.3021 246.3080 -203280.5975 2353.3922 0.0000 0.0000 52353.4950 -109466.9356 300.8763 -161820.4306 -109106.6295 299.8266 51.9206 77.8476 759674.4331 8.4764 8.5960 PRESSURE: 3032200 188.169 231.623 63.5805 231.622 97.3347 5.92249 63.5809 5.92163 -46.2716 GPRESSURE: 3032200 177.285 380.723 64.3535 144.779 197.776 28.8773 63.4396 -50.8129 -58.965 PRESSAVG: 3032200 -0.580936 -4.22296 20.8184 -4.22297 22.4983 -15.6278 20.8184 -15.6279 4.99838 GPRESSAVG: 3032200 -0.275788 -3.85342 21.115 -6.20422 22.5186 -15.2067 19.978 -15.25 4.63071 TIMING: 3032200 CPU: 9645.36, 0.00313308/step Wall: 9645.36, 0.00313308/step, 1.71258 hours remaining, 239.527344 MB of memory in use. ENERGY: 3032200 3983.7404 20473.4404 14461.7099 251.0242 -202862.2748 2408.7642 0.0000 0.0000 51922.4751 -109361.1206 298.3992 -161283.5957 -109001.5771 299.6226 79.7440 105.3653 761437.6615 8.9719 8.9578 LDB: ============= START OF LOAD BALANCING ============== 9657.81 LDB: ============== END OF LOAD BALANCING =============== 9657.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9657.82 LDB: ============= START OF LOAD BALANCING ============== 9658.13 LDB: Largest compute 7031 load 0.036857 is 18.9% of average load 0.195382 LDB: Average compute 0.004407 is 2.3% of average load 0.195382 LDB: TIME 9658.14 LOAD: AVG 0.195382 MAX 0.219838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 9658.14 LOAD: AVG 0.195382 MAX 0.219838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: TIME 9658.14 LOAD: AVG 0.195382 MAX 0.217749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: ============== END OF LOAD BALANCING =============== 9658.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9658.14 PRESSURE: 3032400 13.439 -41.6449 -70.2041 -41.6453 248.043 -93.6282 -70.2038 -93.6287 -329.256 GPRESSURE: 3032400 43.7344 -55.7264 -74.4917 151.635 262.597 -54.2088 -162.045 -219.58 -304.508 PRESSAVG: 3032400 9.24418 -17.6678 -36.0022 -17.6678 -15.8746 6.38122 -36.0022 6.38114 -7.31067 GPRESSAVG: 3032400 8.1367 -19.7263 -35.7013 -15.2895 -15.6734 5.64205 -36.7526 7.56291 -6.75268 TIMING: 3032400 CPU: 9646.01, 0.00321936/step Wall: 9646.01, 0.00321936/step, 1.75956 hours remaining, 238.875000 MB of memory in use. ENERGY: 3032400 4014.7992 20524.9112 14478.3447 245.6016 -202700.7650 2053.9924 0.0000 0.0000 52159.2850 -109223.8309 299.7601 -161383.1159 -108863.1648 299.8979 -22.5915 0.6078 761031.3139 -4.6470 -4.7631 PRESSURE: 3032600 -131.78 66.6094 -78.8944 66.6089 -4.44284 -58.441 -78.8948 -58.4412 -125.871 GPRESSURE: 3032600 -73.9413 7.54716 -89.0188 91.0501 -24.4864 -149.495 -62.8175 6.3553 -86.6719 PRESSAVG: 3032600 -5.89841 -16.546 -4.328 -16.546 22.7453 30.4148 -4.32797 30.4149 5.51689 GPRESSAVG: 3032600 -4.93428 -13.9989 -6.01468 -18.8743 22.1 30.3508 -2.13093 28.856 4.87509 TIMING: 3032600 CPU: 9646.64, 0.00315598/step Wall: 9646.64, 0.00315598/step, 1.72474 hours remaining, 238.875000 MB of memory in use. ENERGY: 3032600 4005.2603 20570.1802 14525.9227 257.4401 -202887.6593 2357.3241 0.0000 0.0000 51923.3152 -109248.2167 298.4040 -161171.5319 -108896.0037 299.7026 -87.3647 -61.6999 761627.5634 7.4546 7.3470 PRESSURE: 3032800 -89.0056 -0.0506977 130.126 -0.0503054 72.9914 -21.4684 130.125 -21.4683 135.22 GPRESSURE: 3032800 -3.26259 18.4857 160.275 2.5659 -18.5619 -128.708 12.2081 103.415 244.015 PRESSAVG: 3032800 -50.1 -4.12199 19.8063 -4.12197 1.73979 23.0037 19.8063 23.0037 5.86762 GPRESSAVG: 3032800 -49.5068 -6.64728 20.6405 -2.20559 0.803806 21.1909 21.2239 24.4842 6.06039 TIMING: 3032800 CPU: 9647.27, 0.00313444/step Wall: 9647.27, 0.00313443/step, 1.71279 hours remaining, 238.875000 MB of memory in use. ENERGY: 3032800 3997.5152 20530.7888 14470.7672 248.6664 -203134.7775 2417.4924 0.0000 0.0000 52349.1156 -109120.4320 300.8511 -161469.5475 -108760.4309 300.2548 39.7354 74.0636 760322.7685 -14.1642 -14.2142 PRESSURE: 3033000 -230.163 -25.2713 151.635 -25.2712 -124.842 171.817 151.636 171.818 22.1525 GPRESSURE: 3033000 -151.991 -62.0981 94.0422 46.0855 -78.498 163.168 173.949 61.1298 -4.9606 PRESSAVG: 3033000 -49.1148 1.59528 -5.03169 1.5953 29.6558 48.5428 -5.0317 48.5428 -4.85394 GPRESSAVG: 3033000 -49.2875 2.15837 -4.43821 0.828993 30.3322 52.6017 -9.74759 48.7888 -5.14249 TIMING: 3033000 CPU: 9647.89, 0.00314456/step Wall: 9647.89, 0.00314456/step, 1.71815 hours remaining, 238.875000 MB of memory in use. ENERGY: 3033000 4011.0625 20550.9804 14502.8604 244.3756 -202872.9620 2287.4823 0.0000 0.0000 52094.5541 -109181.6467 299.3881 -161276.2008 -108836.9150 300.2218 -110.9508 -78.4833 760909.3547 -8.1043 -8.0326 PRESSURE: 3033200 -284.982 55.016 -365.952 55.0154 -210.099 185.113 -365.952 185.115 -484.727 GPRESSURE: 3033200 -275.782 162.912 -299.79 32.2958 -174.323 178.667 -292.113 217.519 -435.298 PRESSAVG: 3033200 -21.8896 26.5122 -24.1877 26.5122 77.1591 80.3043 -24.1877 80.3044 -2.48641 GPRESSAVG: 3033200 -23.0535 25.1493 -25.5245 26.9486 78.2897 79.5531 -23.003 77.0719 -2.01336 TIMING: 3033200 CPU: 9648.53, 0.00316297/step Wall: 9648.53, 0.00316297/step, 1.72803 hours remaining, 238.875000 MB of memory in use. ENERGY: 3033200 3973.0666 20377.8567 14512.1800 241.3589 -202730.6202 2078.4303 0.0000 0.0000 52304.6740 -109243.0538 300.5957 -161547.7278 -108877.2264 300.4270 -326.6025 -295.1343 762791.1678 17.5944 17.7410 PRESSURE: 3033400 86.3959 60.74 -21.7018 60.7398 -352.125 -46.6496 -21.7025 -46.6494 -150.765 GPRESSURE: 3033400 5.89069 -55.6645 7.0253 10.5126 -214.858 -10.1311 -8.04231 43.1298 -132.66 PRESSAVG: 3033400 -14.7555 -7.62781 -22.0259 -7.62777 12.5909 19.2103 -22.0259 19.2104 17.5137 GPRESSAVG: 3033400 -14.9807 -5.78231 -20.0528 -8.05915 11.7362 17.362 -21.6564 21.5558 18.2137 TIMING: 3033400 CPU: 9649.16, 0.00316276/step Wall: 9649.16, 0.00316276/step, 1.72775 hours remaining, 238.875000 MB of memory in use. ENERGY: 3033400 4040.6366 20472.2178 14424.3848 245.6216 -203186.3461 2418.3845 0.0000 0.0000 52278.1912 -109306.9096 300.4435 -161585.1008 -108948.6683 299.5907 -138.8315 -113.8760 761251.3787 5.1164 4.9897 PRESSURE: 3033600 53.4771 111.536 29.6908 111.537 -44.921 138.939 29.691 138.938 312.43 GPRESSURE: 3033600 14.5004 87.2859 55.4622 142 1.0192 95.4672 113.116 -11.0899 380.779 PRESSAVG: 3033600 10.7679 -4.22233 7.52922 -4.2223 1.97137 -7.98335 7.52926 -7.98337 2.12916 GPRESSAVG: 3033600 10.8385 -2.81581 4.67539 -5.18963 1.8267 -9.15883 9.71329 -8.82746 1.3773 TIMING: 3033600 CPU: 9649.79, 0.00315117/step Wall: 9649.79, 0.00315117/step, 1.72124 hours remaining, 238.875000 MB of memory in use. ENERGY: 3033600 3934.3463 20403.8836 14519.0950 254.1399 -203640.9184 2929.6796 0.0000 0.0000 52274.0511 -109325.7230 300.4197 -161599.7741 -108970.6107 299.9920 106.9955 132.0995 761126.4818 4.9562 4.6808 PRESSURE: 3033800 176.144 66.1731 -55.4687 66.1727 85.2994 41.0004 -55.4685 41.001 190.37 GPRESSURE: 3033800 166.94 89.9041 -35.503 -32.9898 166.384 66.4147 101.774 148.37 217.816 PRESSAVG: 3033800 27.7255 71.7295 -5.57964 71.7295 16.0906 37.6918 -5.57963 37.6917 -11.535 GPRESSAVG: 3033800 28.5165 70.8166 -2.49459 70.7279 15.8544 40.0031 -7.3986 38.4618 -11.6889 TIMING: 3033800 CPU: 9650.41, 0.00312669/step Wall: 9650.41, 0.00312668/step, 1.70769 hours remaining, 238.875000 MB of memory in use. ENERGY: 3033800 3933.8829 20519.7883 14429.6362 248.2187 -203398.2494 2626.6185 0.0000 0.0000 52077.6702 -109562.4347 299.2911 -161640.1049 -109202.1018 299.6646 150.6047 183.7133 759031.2834 10.7604 10.8940 PRESSURE: 3034000 -151.544 -89.5504 99.1338 -89.5509 270.303 -115.794 99.1342 -115.793 -31.3668 GPRESSURE: 3034000 -113.425 -17.1268 35.683 -41.8751 235.903 -78.597 51.8888 43.7037 77.3544 PRESSAVG: 3034000 -60.3543 -31.491 10.9678 -31.491 8.99357 38.4361 10.9678 38.4361 -10.8644 GPRESSAVG: 3034000 -61.0119 -32.5207 8.77992 -29.6504 8.46116 37.6385 12.0946 38.3343 -9.96521 TIMING: 3034000 CPU: 9651.04, 0.00314218/step Wall: 9651.04, 0.00314218/step, 1.71598 hours remaining, 238.875000 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: 3034000 3973.3066 20456.0927 14372.6310 238.5966 -202866.9033 2383.5797 0.0000 0.0000 51912.8453 -109529.8514 298.3438 -161442.6967 -109160.7204 299.0090 29.1310 66.6108 761463.0112 -20.7417 -20.8386 PRESSURE: 3034200 83.022 -54.6769 -74.6185 -54.6774 -69.2243 180.795 -74.6189 180.794 15.2585 GPRESSURE: 3034200 142.226 2.50692 -31.3052 -21.2418 -48.9751 161.93 -114.015 104.102 2.44027 PRESSAVG: 3034200 -27.4953 -24.0989 13.1601 -24.0989 15.6197 65.9082 13.1601 65.9082 7.57083 GPRESSAVG: 3034200 -26.7032 -20.837 14.4294 -26.9695 15.797 65.7532 10.5945 65.0457 6.4606 TIMING: 3034200 CPU: 9651.68, 0.00316128/step Wall: 9651.68, 0.00316128/step, 1.72624 hours remaining, 238.875000 MB of memory in use. ENERGY: 3034200 3967.8425 20601.3963 14427.1846 244.6607 -203376.9068 2472.5742 0.0000 0.0000 51982.3464 -109680.9021 298.7433 -161663.2485 -109319.6871 298.9084 9.6854 31.8972 760071.9946 -1.4349 -1.4819 PRESSURE: 3034400 -67.9647 -211.233 90.7687 -211.233 61.7851 172.012 90.7694 172.011 -195.843 GPRESSURE: 3034400 -6.67912 -140.06 74.7072 -86.7386 92.4412 116.175 299.556 226.543 -203.702 PRESSAVG: 3034400 -38.6747 -32.3015 56.8609 -32.3015 80.8435 77.2086 56.8608 77.2086 -13.1693 GPRESSAVG: 3034400 -40.5232 -35.2258 55.5318 -29.1072 81.4546 77.6754 57.9018 76.9522 -12.2117 TIMING: 3034400 CPU: 9652.31, 0.00316937/step Wall: 9652.31, 0.00316937/step, 1.73048 hours remaining, 238.875000 MB of memory in use. ENERGY: 3034400 4056.6120 20603.1063 14404.2380 272.7435 -203527.0182 2688.0532 0.0000 0.0000 51877.4316 -109624.8335 298.1403 -161502.2651 -109278.1163 299.1666 -67.3408 -39.3133 759950.2757 9.6665 9.5732 PRESSURE: 3034600 46.184 287.723 148.205 287.723 -138.85 -213.67 148.203 -213.67 -40.2501 GPRESSURE: 3034600 39.6481 160.97 201.569 361.996 -89.4145 -250.617 97.194 -214.136 34.0468 PRESSAVG: 3034600 -21.3818 -4.28915 74.1913 -4.28913 -15.0183 -21.8979 74.1912 -21.898 11.3614 GPRESSAVG: 3034600 -20.54 -5.08006 76.1429 -2.72493 -13.5385 -21.4895 72.2681 -20.8707 9.25899 TIMING: 3034600 CPU: 9652.94, 0.00317443/step Wall: 9652.94, 0.00317443/step, 1.73306 hours remaining, 238.875000 MB of memory in use. ENERGY: 3034600 3889.1860 20443.4449 14403.2427 228.3996 -203321.9584 2679.1993 0.0000 0.0000 52186.8919 -109491.5940 299.9188 -161678.4859 -109122.1573 299.1093 -44.3055 -5.2399 760360.9837 -8.3463 -8.2732 PRESSURE: 3034800 9.81733 57.7072 -47.2656 57.7065 134.616 -51.2195 -47.2657 -51.2207 -45.1819 GPRESSURE: 3034800 -42.6617 65.2647 -89.8457 52.442 132.696 -33.9117 -84.2682 -110.551 89.4186 PRESSAVG: 3034800 -25.7954 6.60357 -14.9598 6.60366 -4.89758 -4.9946 -14.9599 -4.99468 -6.9858 GPRESSAVG: 3034800 -25.7627 7.68417 -15.9375 3.31578 -6.55922 -4.01756 -14.2842 -8.1757 -5.69606 TIMING: 3034800 CPU: 9653.57, 0.00312886/step Wall: 9653.57, 0.00312886/step, 1.70801 hours remaining, 238.875000 MB of memory in use. ENERGY: 3034800 4004.9199 20513.8335 14440.9429 264.2219 -203603.9536 2688.7529 0.0000 0.0000 52300.6666 -109390.6159 300.5726 -161691.2825 -109029.3306 299.8241 33.0837 59.8177 761028.3665 -12.5596 -12.6727 PRESSURE: 3035000 104.923 -24.2954 -59.9961 -24.2961 -89.72 -109.839 -59.996 -109.839 -53.6901 GPRESSURE: 3035000 217.803 -57.1127 12.3596 86.0933 -1.94651 -67.2955 -175.507 -51.0807 -171.161 PRESSAVG: 3035000 -20.3694 -9.76206 0.256291 -9.76209 26.2188 28.3058 0.256209 28.3058 -3.04871 GPRESSAVG: 3035000 -21.3961 -8.28554 0.793845 -9.79421 26.7819 27.0448 0.043266 29.8758 -2.33746 TIMING: 3035000 CPU: 9654.19, 0.00312234/step Wall: 9654.19, 0.00312234/step, 1.70428 hours remaining, 238.875000 MB of memory in use. ENERGY: 3035000 4029.6176 20406.4817 14460.9594 249.1507 -203220.8230 2287.4051 0.0000 0.0000 52201.7964 -109585.4121 300.0044 -161787.2085 -109218.8981 299.5423 -12.8291 14.8986 760364.6553 0.9336 1.0161 PRESSURE: 3035200 -81.3344 203.416 20.7918 203.416 184.227 44.9883 20.793 44.9886 -11.4019 GPRESSURE: 3035200 -79.2749 118.477 -14.2695 91.9513 302.68 8.98919 -74.4391 28.9479 -31.5769 PRESSAVG: 3035200 -8.42743 -0.715548 3.64685 -0.715535 -26.3881 -15.9196 3.64686 -15.9196 -15.3479 GPRESSAVG: 3035200 -7.25489 -1.95211 3.41713 -1.15728 -27.4829 -16.2406 3.77489 -16.2739 -15.8319 TIMING: 3035200 CPU: 9654.82, 0.0031489/step Wall: 9654.82, 0.0031489/step, 1.7186 hours remaining, 238.875000 MB of memory in use. ENERGY: 3035200 3914.5280 20621.2059 14409.0362 253.2934 -202817.7459 2240.4003 0.0000 0.0000 51955.4418 -109423.8403 298.5886 -161379.2821 -109059.5660 299.3014 30.4969 63.9426 759729.4420 -16.7211 -16.8566 PRESSURE: 3035400 -76.9232 61.5675 -17.774 61.5679 -118.548 232.392 -17.7738 232.391 375.609 GPRESSURE: 3035400 -3.29044 -16.7674 57.9464 57.2102 -126.029 146.839 -18.5919 344.328 379.619 PRESSAVG: 3035400 -3.10818 -23.7922 -24.5213 -23.7922 -4.41575 -27.4283 -24.5213 -27.4283 13.4481 GPRESSAVG: 3035400 -2.96923 -25.9504 -23.2923 -22.4764 -3.73433 -26.3361 -24.7147 -27.3745 12.4282 TIMING: 3035400 CPU: 9655.45, 0.00312525/step Wall: 9655.45, 0.00312526/step, 1.70552 hours remaining, 238.875000 MB of memory in use. ENERGY: 3035400 3973.4833 20505.6936 14419.7746 235.0909 -203023.6091 2359.9946 0.0000 0.0000 52061.1162 -109468.4558 299.1960 -161529.5721 -109104.6615 299.2816 60.0462 83.4332 761538.2394 1.9747 1.9082 PRESSURE: 3035600 106.014 -64.5954 91.103 -64.5952 173.347 -196.741 91.1038 -196.742 232.338 GPRESSURE: 3035600 165.282 -2.27958 49.4418 -56.1509 224.955 -234.182 19.5672 -214.294 232.357 PRESSAVG: 3035600 24.6692 -39.1121 13.731 -39.1121 -8.54765 -7.06817 13.731 -7.06817 18.3696 GPRESSAVG: 3035600 24.5581 -38.1773 13.0021 -39.6935 -9.1653 -7.2477 15.1089 -7.59753 19.685 TIMING: 3035600 CPU: 9656.08, 0.00314716/step Wall: 9656.08, 0.00314716/step, 1.7173 hours remaining, 238.875000 MB of memory in use. ENERGY: 3035600 3989.4168 20436.8310 14423.3537 239.5427 -203362.8500 2469.6110 0.0000 0.0000 52240.3366 -109563.7581 300.2259 -161804.0947 -109186.8081 299.4201 170.5665 207.5314 761174.6551 11.4971 11.6926 PRESSURE: 3035800 136.259 -271.449 98.0103 -271.449 -35.6971 98.05 98.0105 98.0502 23.8583 GPRESSURE: 3035800 157.679 -241.728 71.6768 -226.548 -21.438 132.36 77.6067 -20.3826 78.5145 PRESSAVG: 3035800 10.5666 -25.2594 -5.63277 -25.2593 -8.44276 4.85904 -5.63279 4.85901 8.22004 GPRESSAVG: 3035800 9.89154 -23.439 -4.9719 -26.8849 -7.93794 5.03093 -8.17365 4.33022 7.95221 TIMING: 3035800 CPU: 9656.71, 0.00317305/step Wall: 9656.71, 0.00317305/step, 1.73125 hours remaining, 238.875000 MB of memory in use. ENERGY: 3035800 3982.2510 20459.2806 14415.0689 261.1196 -203206.0668 2482.7308 0.0000 0.0000 51784.5722 -109821.0437 297.6066 -161605.6159 -109463.4472 298.6460 41.4734 71.5850 760689.6936 3.4479 3.3019 PRESSURE: 3036000 46.0514 -78.6169 76.4981 -78.6171 171.757 -61.9698 76.4982 -61.9694 -77.8429 GPRESSURE: 3036000 91.1137 -34.7031 114.268 -84.0199 197.268 -55.9586 54.5064 -17.6984 -62.5655 PRESSAVG: 3036000 -12.8465 -53.781 1.1128 -53.781 46.8586 15.7258 1.11275 15.7257 10.7679 GPRESSAVG: 3036000 -11.3627 -54.2493 -1.10721 -50.2771 45.697 16.7133 3.52963 15.777 10.763 TIMING: 3036000 CPU: 9657.35, 0.00319392/step Wall: 9657.35, 0.00319392/step, 1.74246 hours remaining, 238.875000 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: 3036000 4029.7946 20263.9441 14458.2637 227.8649 -203391.4805 2466.1575 0.0000 0.0000 52138.8712 -109806.5846 299.6428 -161945.4558 -109433.7073 298.6103 46.6552 75.2720 761096.2785 14.9267 15.0324 PRESSURE: 3036200 71.3652 82.881 -117.213 82.8818 -129.98 236.821 -117.212 236.819 288.694 GPRESSURE: 3036200 30.274 147.638 -97.5769 41.8345 -35.3696 190.577 -65.7958 280.932 318.323 PRESSAVG: 3036200 6.45346 -79.6415 -45.6335 -79.6415 5.38105 12.9098 -45.6335 12.9098 -18.2399 GPRESSAVG: 3036200 5.79519 -80.1672 -45.3311 -80.5479 6.56732 11.346 -43.301 13.5167 -18.6058 TIMING: 3036200 CPU: 9657.98, 0.00314586/step Wall: 9657.98, 0.00314586/step, 1.71607 hours remaining, 238.875000 MB of memory in use. ENERGY: 3036200 4009.3767 20443.5018 14474.8884 257.5340 -203486.5268 2490.1103 0.0000 0.0000 52126.9180 -109684.1975 299.5741 -161811.1155 -109316.1606 299.1064 76.6928 104.4090 760469.1814 -2.1351 -2.0811 LDB: ============= START OF LOAD BALANCING ============== 9670.43 LDB: ============== END OF LOAD BALANCING =============== 9670.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9670.43 LDB: ============= START OF LOAD BALANCING ============== 9670.75 LDB: Largest compute 7031 load 0.038295 is 19.6% of average load 0.195332 LDB: Average compute 0.004389 is 2.2% of average load 0.195332 LDB: TIME 9670.75 LOAD: AVG 0.195332 MAX 0.215276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.953 MB LDB: TIME 9670.75 LOAD: AVG 0.195332 MAX 0.215276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.988 MB LDB: TIME 9670.75 LOAD: AVG 0.195332 MAX 0.215276 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.988 MB LDB: ============== END OF LOAD BALANCING =============== 9670.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9670.76 PRESSURE: 3036400 150.086 -5.11169 134.679 -5.11145 124.479 6.88052 134.679 6.88034 -155.319 GPRESSURE: 3036400 224.332 1.10846 118.27 8.72327 95.0558 -24.2005 122.456 -106.604 -102.234 PRESSAVG: 3036400 -0.532567 -35.0557 -12.5782 -35.0557 -19.9574 41.0761 -12.5782 41.0762 -20.6486 GPRESSAVG: 3036400 0.356246 -35.1853 -11.3503 -36.6882 -19.8566 42.1292 -13.9534 39.1855 -21.8763 TIMING: 3036400 CPU: 9658.62, 0.00321331/step Wall: 9658.62, 0.00321331/step, 1.75268 hours remaining, 240.039062 MB of memory in use. ENERGY: 3036400 3993.7099 20455.1195 14469.0764 234.8032 -203206.3392 2515.9233 0.0000 0.0000 51772.8288 -109764.8781 297.5392 -161537.7069 -109406.3636 299.1791 39.7486 72.3847 758513.1627 -13.7128 -13.7922 PRESSURE: 3036600 220.624 -219.922 240.218 -219.922 108.848 -34.2167 240.218 -34.216 183.086 GPRESSURE: 3036600 369.012 -236.296 153.247 -159.669 120.04 33.1046 209.604 2.4312 137.746 PRESSAVG: 3036600 17.8505 -10.705 -42.2205 -10.705 18.1418 -35.4184 -42.2206 -35.4184 31.8428 GPRESSAVG: 3036600 17.5478 -9.80343 -41.3028 -11.5052 17.9457 -35.3279 -43.8274 -33.7873 32.6415 TIMING: 3036600 CPU: 9659.25, 0.00313554/step Wall: 9659.25, 0.00313554/step, 1.71009 hours remaining, 240.039062 MB of memory in use. ENERGY: 3036600 3952.0826 20372.5422 14481.8816 233.3389 -202883.9785 2041.2008 0.0000 0.0000 52101.6836 -109701.2487 299.4291 -161802.9323 -109331.2031 298.9735 170.8523 208.9325 759683.6786 22.6117 22.7117 PRESSURE: 3036800 169.849 36.3693 22.6785 36.3691 234.847 -17.3311 22.6781 -17.3312 66.0263 GPRESSURE: 3036800 204.131 -17.0444 -34.1181 83.618 243.383 -76.6106 86.9642 -57.8757 121.646 PRESSAVG: 3036800 43.0185 -52.136 29.0875 -52.1359 -47.0917 -13.989 29.0874 -13.989 -0.438499 GPRESSAVG: 3036800 41.2373 -53.9021 29.5747 -51.212 -46.0802 -14.9602 29.4484 -15.7922 -0.100122 TIMING: 3036800 CPU: 9659.88, 0.00314824/step Wall: 9659.88, 0.00314824/step, 1.71684 hours remaining, 240.039062 MB of memory in use. ENERGY: 3036800 3946.0267 20411.0340 14495.9439 242.8323 -203172.7488 2393.0697 0.0000 0.0000 52015.8333 -109668.0090 298.9357 -161683.8423 -109310.1210 299.0993 156.9075 189.7199 760996.4628 -1.5039 -1.6477 PRESSURE: 3037000 -79.1911 -33.212 407.984 -33.2127 291.403 -159.711 407.984 -159.711 391.833 GPRESSURE: 3037000 -68.4835 -43.9323 341.486 -98.609 339.067 -124.527 186.604 -36.1939 388.56 PRESSAVG: 3037000 12.2606 9.0637 28.8512 9.06367 -1.57991 7.41134 28.8512 7.41133 8.58514 GPRESSAVG: 3037000 12.8985 9.93038 26.9907 10.0197 -2.52911 5.70164 28.5814 9.91097 8.44078 TIMING: 3037000 CPU: 9660.51, 0.00313863/step Wall: 9660.51, 0.00313863/step, 1.71142 hours remaining, 240.039062 MB of memory in use. ENERGY: 3037000 3921.3094 20552.2549 14550.1565 261.5537 -203324.1275 2508.5055 0.0000 0.0000 52026.6980 -109503.6495 298.9981 -161530.3475 -109149.4179 299.4977 201.3483 219.7148 759605.5894 6.4220 6.2700 PRESSURE: 3037200 -512.323 -81.0795 -67.1045 -81.0798 -423.25 14.9311 -67.1046 14.9317 293.105 GPRESSURE: 3037200 -438.611 -81.8357 -62.1272 -191.393 -378.549 14.7102 -5.97373 -84.8726 279.606 PRESSAVG: 3037200 1.82767 -38.0439 24.9788 -38.0438 -3.79871 -6.04008 24.9787 -6.04 4.46853 GPRESSAVG: 3037200 2.08655 -38.9402 26.8306 -39.6868 -3.99903 -3.64495 25.3195 -7.86885 4.60589 TIMING: 3037200 CPU: 9661.13, 0.0031235/step Wall: 9661.13, 0.0031235/step, 1.703 hours remaining, 240.039062 MB of memory in use. ENERGY: 3037200 3985.0551 20522.2523 14446.9685 250.7146 -202805.9379 2181.6107 0.0000 0.0000 51941.6136 -109477.7231 298.5092 -161419.3367 -109115.1424 299.6568 -214.1562 -179.1847 760486.0017 0.8325 0.8978 PRESSURE: 3037400 56.5699 30.4811 -20.1998 30.4812 -462.7 -134.81 -20.1992 -134.81 276.73 GPRESSURE: 3037400 171.643 -7.79265 40.7049 74.2536 -485.962 -104.795 -34.5988 -2.13524 279.167 PRESSAVG: 3037400 -10.813 -2.30652 -12.0832 -2.30654 -26.3336 5.86965 -12.0832 5.86968 16.619 GPRESSAVG: 3037400 -10.3227 -1.74295 -12.8172 -0.379821 -24.9159 5.44301 -11.7456 8.23505 14.8944 TIMING: 3037400 CPU: 9661.76, 0.00314681/step Wall: 9661.76, 0.00314681/step, 1.71554 hours remaining, 240.039062 MB of memory in use. ENERGY: 3037400 4051.2309 20603.2118 14342.5963 247.4755 -203040.3155 2128.8051 0.0000 0.0000 52212.4174 -109454.5783 300.0655 -161666.9957 -109100.2656 299.3977 -43.1331 -11.7176 759837.8690 -6.8425 -6.7814 PRESSURE: 3037600 -67.014 -215.83 63.5874 -215.83 69.5659 -147.179 63.5869 -147.178 29.6648 GPRESSURE: 3037600 -15.0683 -146.934 161.026 -312.814 159.062 -103.273 -2.55311 -87.1769 -34.8256 PRESSAVG: 3037600 16.5187 -8.04838 -25.1715 -8.04825 28.1333 -15.4133 -25.1715 -15.4132 0.696885 GPRESSAVG: 3037600 17.3533 -6.42041 -22.0816 -8.80771 25.6239 -13.5428 -25.9107 -19.0958 1.98364 TIMING: 3037600 CPU: 9662.39, 0.00315518/step Wall: 9662.39, 0.00315518/step, 1.71993 hours remaining, 240.039062 MB of memory in use. ENERGY: 3037600 3977.1449 20373.5980 14500.3736 252.4051 -203457.6671 2814.4986 0.0000 0.0000 52043.0100 -109496.6369 299.0919 -161539.6469 -109143.2932 299.5039 10.7389 36.3895 760994.4248 15.1163 14.9869 PRESSURE: 3037800 122.72 70.2753 32.3749 70.2751 -295.771 28.6651 32.3752 28.6646 -71.1457 GPRESSURE: 3037800 126.867 57.3994 26.8717 151.231 -267.282 55.1086 76.6075 4.50371 -10.5438 PRESSAVG: 3037800 -37.0193 -0.873506 38.8317 -0.873542 37.4213 -31.406 38.8317 -31.4061 5.81772 GPRESSAVG: 3037800 -37.5845 -3.7255 35.5159 -0.387709 38.8353 -32.6154 39.6218 -28.5471 4.77812 TIMING: 3037800 CPU: 9663.02, 0.00314392/step Wall: 9663.02, 0.00314393/step, 1.71361 hours remaining, 240.039062 MB of memory in use. ENERGY: 3037800 3983.6530 20378.9419 14506.3121 237.1013 -203343.3718 2613.6398 0.0000 0.0000 52095.7809 -109527.9429 299.3952 -161623.7237 -109167.8899 298.9310 -81.3987 -50.3197 760610.8668 2.0732 2.0096 PRESSURE: 3038000 -150.467 -54.985 102.272 -54.9851 149.79 -182.073 102.271 -182.071 132.361 GPRESSURE: 3038000 -116.227 -43.9514 89.2475 -136.26 154.446 -202.703 110.689 -78.4171 168.153 PRESSAVG: 3038000 60.1913 -3.19818 83.4998 -3.19819 -53.6101 31.5703 83.4998 31.5703 -20.1784 GPRESSAVG: 3038000 59.5606 -2.46804 84.3973 -3.26181 -54.9873 31.2698 81.4629 29.4695 -19.4207 TIMING: 3038000 CPU: 9663.66, 0.00318178/step Wall: 9663.66, 0.00318178/step, 1.73407 hours remaining, 240.039062 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: 3038000 3966.2620 20641.2950 14443.5416 239.9838 -203195.2741 2493.3386 0.0000 0.0000 52020.1400 -109390.7131 298.9605 -161410.8531 -109027.2769 299.8656 43.8948 68.7906 760961.8988 -4.5324 -4.9491 PRESSURE: 3038200 165.278 -106.211 -34.7528 -106.211 25.6538 239.655 -34.7533 239.655 -386.705 GPRESSURE: 3038200 149.624 -78.5018 5.06537 85.5899 144.64 355.084 60.4325 182.09 -413.413 PRESSAVG: 3038200 -3.31737 22.1878 53.5068 22.1878 -16.4788 -17.6003 53.5067 -17.6003 -21.1449 GPRESSAVG: 3038200 -4.23846 22.8509 54.8131 22.4138 -15.9855 -16.857 56.0051 -17.6122 -21.323 TIMING: 3038200 CPU: 9664.29, 0.00316659/step Wall: 9664.29, 0.00316659/step, 1.72561 hours remaining, 240.296875 MB of memory in use. ENERGY: 3038200 3988.8504 20323.8481 14472.7182 219.6869 -203475.8139 2539.3983 0.0000 0.0000 52363.0865 -109568.2254 300.9314 -161931.3118 -109199.9672 299.5405 -65.2576 -39.7165 761705.4731 -13.6471 -13.8490 PRESSURE: 3038400 394.774 -35.4137 3.46801 -35.4136 125.83 101.36 3.46745 101.36 562.628 GPRESSURE: 3038400 334.702 -28.2872 -37.3711 -55.9798 222.749 125.492 30.9259 -57.3595 600.598 PRESSAVG: 3038400 -12.5119 63.9733 28.1938 63.9732 28.2291 56.765 28.1938 56.7649 9.44504 GPRESSAVG: 3038400 -13.5575 63.513 25.5137 62.7682 29.4485 55.4127 28.3446 57.3476 9.35414 TIMING: 3038400 CPU: 9664.92, 0.00316249/step Wall: 9664.92, 0.00316249/step, 1.72321 hours remaining, 240.296875 MB of memory in use. ENERGY: 3038400 4017.6175 20473.0164 14440.3450 241.4923 -203650.4279 2806.7484 0.0000 0.0000 52412.0861 -109259.1223 301.2130 -161671.2083 -108900.6989 299.4964 361.0773 386.0161 759676.7811 8.3874 8.4150 PRESSURE: 3038600 -222.57 53.2657 -147.174 53.2664 -329.723 -326.855 -147.175 -326.855 -425.445 GPRESSURE: 3038600 -241.096 19.5499 -138.718 -28.824 -210.686 -247.788 -142.62 -271.195 -428.978 PRESSAVG: 3038600 -41.1687 29.4006 -12.3997 29.4006 41.4252 -11.1636 -12.3997 -11.1636 20.544 GPRESSAVG: 3038600 -41.0154 28.662 -11.6142 29.9104 40.5221 -12.1637 -14.8563 -10.5984 20.5408 TIMING: 3038600 CPU: 9665.56, 0.00317006/step Wall: 9665.56, 0.00317006/step, 1.72715 hours remaining, 240.296875 MB of memory in use. ENERGY: 3038600 4028.3079 20663.1252 14468.9392 241.8342 -203055.7147 2206.5467 0.0000 0.0000 52256.6263 -109190.3353 300.3195 -161446.9616 -108829.9119 300.5562 -325.9126 -293.5866 760325.3537 6.9335 6.6825 PRESSURE: 3038800 -98.4762 -24.297 135.679 -24.2978 117.305 -2.56086 135.679 -2.56095 -129.01 GPRESSURE: 3038800 -55.3391 21.8366 66.4268 62.775 159.216 -109.403 59.6047 0.0607885 -116.002 PRESSAVG: 3038800 -29.0673 -2.10425 -4.39781 -2.1043 5.66307 9.21283 -4.3978 9.21282 5.05532 GPRESSAVG: 3038800 -28.3034 -2.98104 -4.40294 -2.99903 4.44377 9.23098 -2.15039 10.1854 5.09633 TIMING: 3038800 CPU: 9666.19, 0.00315349/step Wall: 9666.19, 0.00315349/step, 1.71795 hours remaining, 240.296875 MB of memory in use. ENERGY: 3038800 3998.7182 20735.9320 14459.5022 257.4120 -203610.8186 2584.8428 0.0000 0.0000 52175.1243 -109399.2870 299.8512 -161574.4114 -109055.2781 300.3171 -36.7269 -4.0417 760608.9712 -6.1163 -6.2544 PRESSURE: 3039000 -105.917 -12.771 39.0723 -12.7703 -281.414 -220.314 39.0721 -220.314 20.48 GPRESSURE: 3039000 -155.022 44.1842 42.3607 -196.878 -199.031 -298.341 -3.45567 -17.3967 50.9955 PRESSAVG: 3039000 -57.4471 16.0721 4.46172 16.0721 56.9235 -2.3548 4.46173 -2.35483 -7.5552 GPRESSAVG: 3039000 -58.0037 18.5724 3.68598 15.8864 57.4873 -1.16887 3.75561 -5.20674 -7.5045 TIMING: 3039000 CPU: 9666.82, 0.00315992/step Wall: 9666.82, 0.00315992/step, 1.72128 hours remaining, 240.296875 MB of memory in use. ENERGY: 3039000 4010.3484 20554.9112 14494.0651 263.2043 -203539.5288 2508.5312 0.0000 0.0000 52147.8095 -109560.6591 299.6942 -161708.4686 -109206.3914 299.6982 -122.2834 -101.0189 761123.4766 -2.6929 -2.6736 PRESSURE: 3039200 -576.802 145.402 136.266 145.402 -292.639 40.6111 136.267 40.6111 -127.094 GPRESSURE: 3039200 -482.347 131.905 264.451 222.475 -192.116 34.5799 124.51 -4.89364 -226.605 PRESSAVG: 3039200 -5.79062 27.2978 -22.3101 27.2977 -19.9705 -30.5564 -22.3101 -30.5564 2.40957 GPRESSAVG: 3039200 -4.07762 25.4978 -22.4482 28.215 -20.0394 -29.4878 -24.1251 -30.7524 0.786899 TIMING: 3039200 CPU: 9667.45, 0.00315626/step Wall: 9667.45, 0.00315626/step, 1.71911 hours remaining, 240.296875 MB of memory in use. ENERGY: 3039200 3994.1607 20596.6343 14459.5794 249.1198 -203225.0564 2142.1194 0.0000 0.0000 52203.7468 -109579.6962 300.0157 -161783.4429 -109218.2497 299.1837 -332.1785 -300.3560 759627.4675 -7.7838 -7.7767 PRESSURE: 3039400 170.867 -136.181 6.37431 -136.182 129.68 17.2665 6.37393 17.2669 66.0686 GPRESSURE: 3039400 221.769 -23.5859 67.8689 -3.42304 84.313 35.3859 88.3587 92.3565 137.636 PRESSAVG: 3039400 9.78257 33.5296 12.8693 33.5295 37.071 -2.3707 12.8693 -2.37072 -2.77869 GPRESSAVG: 3039400 9.14482 32.5555 14.2298 37.0653 36.6974 -2.76623 13.0547 1.27339 -2.01688 TIMING: 3039400 CPU: 9668.09, 0.00316333/step Wall: 9668.09, 0.00316333/step, 1.72279 hours remaining, 240.296875 MB of memory in use. ENERGY: 3039400 3889.9839 20527.2996 14520.6453 248.1763 -203256.0199 2439.7577 0.0000 0.0000 51989.5082 -109640.6487 298.7844 -161630.1569 -109271.8681 299.3189 122.2054 147.9059 759661.6173 14.6916 14.6085 PRESSURE: 3039600 459.928 8.25227 11.0257 8.2521 -56.5688 15.5579 11.026 15.5579 -296.722 GPRESSURE: 3039600 483.793 -105.869 -11.1152 -33.2084 37.2698 -68.0204 63.0698 40.0272 -313.989 PRESSAVG: 3039600 -21.1558 7.53032 28.4906 7.53032 39.8044 -12.3008 28.4906 -12.3009 16.5175 GPRESSAVG: 3039600 -21.4062 11.1907 28.5986 2.34785 40.5388 -12.6309 29.2663 -14.6729 16.108 TIMING: 3039600 CPU: 9668.71, 0.00313939/step Wall: 9668.71, 0.00313939/step, 1.70957 hours remaining, 240.296875 MB of memory in use. ENERGY: 3039600 3918.4962 20450.0546 14461.4781 244.3541 -203344.1804 2361.3875 0.0000 0.0000 52213.7146 -109694.6953 300.0729 -161908.4099 -109319.3634 298.4876 35.5456 69.0247 759935.4522 11.7220 11.7469 PRESSURE: 3039800 15.5042 128.753 -53.3244 128.753 -99.9116 131.175 -53.3244 131.175 357.009 GPRESSURE: 3039800 79.7782 22.6341 -32.3619 51.5305 -37.9548 60.9626 -46.6545 19.6452 328.405 PRESSAVG: 3039800 25.0453 20.4939 20.497 20.4939 24.9376 -8.33228 20.4969 -8.33227 -17.7024 GPRESSAVG: 3039800 25.1451 18.0396 20.9526 23.5525 25.6982 -8.42061 20.659 -10.3559 -18.4182 TIMING: 3039800 CPU: 9669.34, 0.0031508/step Wall: 9669.34, 0.0031508/step, 1.71561 hours remaining, 240.296875 MB of memory in use. ENERGY: 3039800 4012.8338 20415.1205 14455.2864 260.3277 -203531.4366 2630.0811 0.0000 0.0000 52170.8131 -109586.9740 299.8264 -161757.7870 -109233.9445 299.1305 90.8671 123.4094 759887.6141 10.7601 10.8084 PRESSURE: 3040000 -239.9 147.664 293.414 147.664 62.5814 -203.527 293.413 -203.527 285.195 GPRESSURE: 3040000 -110.665 165.055 267.02 156.933 40.2395 -168.147 270.233 -162.357 272.588 PRESSAVG: 3040000 94.6247 48.1773 27.8523 48.1773 -29.7119 33.8056 27.8522 33.8057 -7.77852 GPRESSAVG: 3040000 94.1909 47.9577 26.2448 46.0307 -30.935 31.9813 29.4638 36.4573 -5.99562 TIMING: 3040000 CPU: 9669.97, 0.00315426/step Wall: 9669.97, 0.00315426/step, 1.71732 hours remaining, 240.296875 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: 3040000 3981.6203 20535.1675 14409.4838 253.9194 -203307.7199 2488.1875 0.0000 0.0000 52005.6826 -109633.6588 298.8774 -161639.3414 -109266.4384 299.3387 35.9591 67.3875 760400.9785 19.0448 19.0868 PRESSURE: 3040200 -41.9652 211.971 -13.1667 211.971 -349.773 316.791 -13.1671 316.791 -107.744 GPRESSURE: 3040200 21.3454 160.699 -2.60554 220.599 -304.096 294.859 -45.0209 253.447 -124.97 PRESSAVG: 3040200 -37.9728 0.314479 15.4095 0.314491 7.19865 17.7537 15.4095 17.7537 -0.195657 GPRESSAVG: 3040200 -37.7891 0.200936 14.5097 1.92214 7.92068 17.8391 14.5261 19.4732 -0.511521 TIMING: 3040200 CPU: 9670.6, 0.00315425/step Wall: 9670.6, 0.00315425/step, 1.71714 hours remaining, 240.296875 MB of memory in use. ENERGY: 3040200 3927.2559 20460.8456 14506.1897 273.2384 -203183.0828 2281.0683 0.0000 0.0000 52055.2315 -109679.2534 299.1621 -161734.4849 -109313.4130 299.0703 -166.4941 -135.9069 761219.9194 -10.3233 -10.1266 LDB: ============= START OF LOAD BALANCING ============== 9683.06 LDB: ============== END OF LOAD BALANCING =============== 9683.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9683.06 LDB: ============= START OF LOAD BALANCING ============== 9683.38 LDB: Largest compute 7031 load 0.036844 is 18.9% of average load 0.195346 LDB: Average compute 0.004382 is 2.2% of average load 0.195346 LDB: TIME 9683.38 LOAD: AVG 0.195346 MAX 0.215083 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 9683.38 LOAD: AVG 0.195346 MAX 0.215083 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 9683.38 LOAD: AVG 0.195346 MAX 0.215083 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 9683.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9683.39 PRESSURE: 3040400 -404.597 57.2403 48.2352 57.2411 -92.0312 254.07 48.2359 254.07 38.3698 GPRESSURE: 3040400 -298.824 100.179 107.325 -40.6205 -82.174 234.98 42.0177 76.1986 0.5977 PRESSAVG: 3040400 -4.80104 48.0154 -33.0499 48.0154 -46.3496 -16.5642 -33.0499 -16.5642 5.56697 GPRESSAVG: 3040400 -5.97316 48.4792 -32.0125 48.9099 -44.9261 -14.4251 -32.2596 -20.3853 4.69014 TIMING: 3040400 CPU: 9671.25, 0.00323701/step Wall: 9671.25, 0.00323701/step, 1.76201 hours remaining, 240.550781 MB of memory in use. ENERGY: 3040400 3952.6398 20482.7230 14429.3488 251.1310 -203298.4892 2457.6048 0.0000 0.0000 51974.5000 -109750.5418 298.6982 -161725.0418 -109393.6838 298.8518 -152.7527 -126.8000 761935.6987 -15.1946 -15.4030 PRESSURE: 3040600 -272.364 108.792 102.527 108.791 -258.272 -10.4155 102.527 -10.4169 -286.778 GPRESSURE: 3040600 -202.757 221.426 112.973 170.008 -324.66 -16.0786 42.8881 67.7846 -188.475 PRESSAVG: 3040600 -13.1746 14.232 -45.0912 14.232 30.4517 33.6588 -45.0913 33.6588 8.70572 GPRESSAVG: 3040600 -12.8572 14.659 -44.955 13.5937 29.5462 31.0541 -45.6194 35.3797 9.0489 TIMING: 3040600 CPU: 9671.89, 0.00316438/step Wall: 9671.89, 0.00316438/step, 1.7223 hours remaining, 240.753906 MB of memory in use. ENERGY: 3040600 4020.4544 20605.1890 14417.6904 233.4265 -203444.1642 2496.3245 0.0000 0.0000 51995.8946 -109675.1848 298.8211 -161671.0794 -109309.3990 299.0650 -272.4712 -238.6307 762094.0981 8.6609 8.5793 PRESSURE: 3040800 54.0021 -90.0684 113.267 -90.0682 -300.546 -213.212 113.266 -213.212 -37.0296 GPRESSURE: 3040800 18.0045 -61.1916 134.594 -66.4566 -197.823 -233.187 125.057 -174.371 5.33642 PRESSAVG: 3040800 -26.6985 36.2399 1.01998 36.2399 31.3052 -24.297 1.01996 -24.2971 1.99937 GPRESSAVG: 3040800 -26.4546 34.9948 1.8473 36.9317 30.5913 -24.1929 1.27396 -24.3236 2.55402 TIMING: 3040800 CPU: 9672.52, 0.00318423/step Wall: 9672.52, 0.00318423/step, 1.73293 hours remaining, 240.753906 MB of memory in use. ENERGY: 3040800 3935.5077 20548.3806 14454.0289 230.3353 -203101.5073 2184.9821 0.0000 0.0000 52102.8622 -109645.4104 299.4359 -161748.2727 -109278.6351 299.5700 -94.5246 -58.1605 761233.3647 2.2020 2.2302 PRESSURE: 3041000 -410.374 -63.1668 -140.942 -63.167 -163.991 -98.8403 -140.942 -98.8408 -364.881 GPRESSURE: 3041000 -320.559 -70.3816 -189.447 -104.478 -161.009 14.1221 -92.1156 -250.455 -372.148 PRESSAVG: 3041000 -49.4978 1.19835 24.0883 1.19836 41.6836 -12.7256 24.0883 -12.7257 -5.3166 GPRESSAVG: 3041000 -48.917 1.5797 24.6454 -0.432258 41.9988 -10.7698 20.6666 -13.6662 -5.67791 TIMING: 3041000 CPU: 9673.15, 0.00316356/step Wall: 9673.15, 0.00316356/step, 1.7215 hours remaining, 240.753906 MB of memory in use. ENERGY: 3041000 4054.2381 20615.6502 14424.8525 223.5236 -203132.5304 2370.0764 0.0000 0.0000 51818.4428 -109625.7467 297.8013 -161444.1896 -109267.7524 298.8678 -313.0822 -284.5721 761316.4801 -4.3769 -4.1987 PRESSURE: 3041200 28.0736 -133.09 46.6027 -133.09 -405.575 122.195 46.6032 122.194 -444.501 GPRESSURE: 3041200 44.6212 -113.338 -20.6756 -169.674 -363.221 102.999 1.0467 86.1573 -416.529 PRESSAVG: 3041200 -47.6391 -54.1121 35.2284 -54.1121 68.531 -23.2928 35.2285 -23.2929 22.7869 GPRESSAVG: 3041200 -48.5821 -52.4759 33.3616 -54.2568 69.2595 -25.0641 36.1133 -21.0054 22.6739 TIMING: 3041200 CPU: 9673.79, 0.00315367/step Wall: 9673.79, 0.00315367/step, 1.71595 hours remaining, 240.753906 MB of memory in use. ENERGY: 3041200 4053.0983 20590.0311 14443.4570 246.9544 -203382.2311 2499.9205 0.0000 0.0000 52163.9625 -109384.8073 299.7870 -161548.7699 -109019.6673 299.7593 -274.0007 -245.0428 760499.5222 14.5596 14.4504 PRESSURE: 3041400 -140.149 249.591 56.2267 249.591 -164.844 295.723 56.2274 295.723 30.4401 GPRESSURE: 3041400 -80.8585 233.764 23.1904 252.198 -144.02 255.396 88.7619 186.902 41.9627 PRESSAVG: 3041400 -7.60282 -3.7869 14.3505 -3.78688 1.75986 -25.3564 14.3504 -25.3564 -6.59253 GPRESSAVG: 3041400 -7.24016 -4.22435 15.689 -3.87753 1.62373 -24.8937 16.7224 -28.1043 -6.99311 TIMING: 3041400 CPU: 9674.42, 0.00315949/step Wall: 9674.42, 0.00315949/step, 1.71894 hours remaining, 240.753906 MB of memory in use. ENERGY: 3041400 4022.5210 20712.0515 14451.8498 250.4022 -202895.6008 2273.2877 0.0000 0.0000 52163.3439 -109022.1447 299.7835 -161185.4886 -108659.2324 299.8705 -91.5176 -60.9719 762608.2063 -4.1452 -4.2032 PRESSURE: 3041600 13.4931 -16.5064 -85.2408 -16.5063 -172.942 -77.2596 -85.241 -77.2598 -13.6083 GPRESSURE: 3041600 23.2866 -51.3624 -43.4855 -91.9852 -135.093 18.3041 -110.037 19.4402 11.8522 PRESSAVG: 3041600 11.6001 20.1581 7.11856 20.1581 -6.38098 39.2256 7.11852 39.2257 2.27321 GPRESSAVG: 3041600 11.7978 19.715 7.203 18.3769 -6.80777 39.2386 6.60356 38.9395 1.93808 TIMING: 3041600 CPU: 9675.05, 0.00316286/step Wall: 9675.05, 0.00316286/step, 1.7206 hours remaining, 240.753906 MB of memory in use. ENERGY: 3041600 3971.5548 20695.3791 14462.1374 229.2470 -203259.0661 2401.0259 0.0000 0.0000 52431.3943 -109068.3278 301.3239 -161499.7221 -108699.1602 300.3280 -57.6858 -33.3180 760898.2223 2.4974 2.3094 PRESSURE: 3041800 -78.9173 137.365 175.487 137.365 -213.819 33.6498 175.487 33.6506 -105.566 GPRESSURE: 3041800 -18.732 172.39 79.8877 -2.95953 -171.458 49.7999 -1.65899 67.7446 -123.955 PRESSAVG: 3041800 6.42391 6.13229 -20.6336 6.13231 11.4118 18.8788 -20.6337 18.8788 19.4928 GPRESSAVG: 3041800 5.24515 6.36162 -21.5762 7.3527 11.4926 18.4163 -21.1993 21.1497 21.1319 TIMING: 3041800 CPU: 9675.68, 0.00314054/step Wall: 9675.68, 0.00314054/step, 1.70828 hours remaining, 240.753906 MB of memory in use. ENERGY: 3041800 3947.6495 20784.8229 14460.3375 260.7308 -203494.7529 2623.3050 0.0000 0.0000 52300.7108 -109117.1963 300.5729 -161417.9071 -108750.8180 300.8878 -132.7674 -104.7149 762452.6130 12.4429 12.6232 PRESSURE: 3042000 -203.438 -342.86 114.847 -342.859 208.672 -175.85 114.847 -175.851 -162.46 GPRESSURE: 3042000 -81.3771 -438.776 130.3 -174.492 274.112 -211.032 52.9845 -34.3128 -275.993 PRESSAVG: 3042000 -5.37707 8.49465 -10.8936 8.49466 27.5192 -40.9281 -10.8936 -40.9282 6.52518 GPRESSAVG: 3042000 -3.91897 7.85605 -10.0425 10.4464 26.8549 -41.5159 -11.6877 -40.1324 5.94031 TIMING: 3042000 CPU: 9676.31, 0.00315493/step Wall: 9676.31, 0.00315493/step, 1.71593 hours remaining, 240.753906 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: 3042000 3979.0422 20458.2373 14528.9521 256.4598 -203491.2343 2695.2867 0.0000 0.0000 52266.8547 -109306.4014 300.3783 -161573.2561 -108938.6877 300.3766 -52.4087 -27.7526 761863.2684 9.5558 9.6254 PRESSURE: 3042200 88.2043 -103.287 90.2957 -103.287 -84.8794 87.4356 90.2958 87.4356 316.473 GPRESSURE: 3042200 28.6021 -46.9471 178.332 -82.3529 34.0309 48.5242 123.081 65.9382 347.059 PRESSAVG: 3042200 -44.9707 -32.2941 13.9932 -32.294 78.8417 39.6836 13.9933 39.6836 -9.20174 GPRESSAVG: 3042200 -46.2897 -31.0845 14.2158 -34.9738 81.2828 39.8195 14.9557 38.0836 -10.5254 TIMING: 3042200 CPU: 9676.94, 0.00313683/step Wall: 9676.94, 0.00313683/step, 1.70591 hours remaining, 240.753906 MB of memory in use. ENERGY: 3042200 4085.3944 20536.8611 14477.3039 243.3583 -203788.9365 2909.7750 0.0000 0.0000 51895.6624 -109640.5814 298.2451 -161536.2438 -109283.7998 299.4988 106.5992 136.5639 760228.9849 8.2231 8.1559 PRESSURE: 3042400 133.771 68.715 123.193 68.7161 -72.529 82.2543 123.193 82.2547 298.398 GPRESSURE: 3042400 143.716 -52.8501 127.099 26.9126 51.1265 123.268 -48.9021 70.1462 249.603 PRESSAVG: 3042400 -39.9275 27.0833 -21.7674 27.0833 -7.79037 31.3348 -21.7674 31.3347 -5.06972 GPRESSAVG: 3042400 -40.7523 26.3713 -24.2888 28.0133 -9.41062 31.1008 -20.3892 31.7127 -2.75127 TIMING: 3042400 CPU: 9677.57, 0.0031652/step Wall: 9677.57, 0.0031652/step, 1.72116 hours remaining, 240.753906 MB of memory in use. ENERGY: 3042400 4007.4601 20523.7509 14512.0459 244.4232 -203629.3145 2619.4036 0.0000 0.0000 51989.5535 -109732.6773 298.7847 -161722.2307 -109367.0548 299.0639 119.8802 148.1487 759602.7957 -17.5959 -17.6381 PRESSURE: 3042600 -167.915 50.2756 144.493 50.2754 -265.68 -118.434 144.493 -118.434 -60.201 GPRESSURE: 3042600 -87.7295 103.738 112.089 -1.74599 -219.498 -45.6222 197.573 -8.5931 -77.1967 PRESSAVG: 3042600 25.5734 19.0238 -17.2141 19.0238 0.91617 -15.7468 -17.2141 -15.7469 -16.7931 GPRESSAVG: 3042600 26.534 19.5394 -13.7772 18.6127 0.622358 -14.9086 -21.1862 -16.7965 -17.1722 TIMING: 3042600 CPU: 9678.2, 0.00316991/step Wall: 9678.2, 0.00316991/step, 1.72355 hours remaining, 240.753906 MB of memory in use. ENERGY: 3042600 4082.1054 20443.9577 14547.7610 234.7292 -203623.8033 2610.3922 0.0000 0.0000 51952.7343 -109752.1235 298.5731 -161704.8578 -109383.5956 299.4013 -164.5986 -128.1415 762581.1157 3.2322 3.3281 PRESSURE: 3042800 -272.484 -43.2592 23.9572 -43.2587 140.521 -15.1819 23.9571 -15.182 112.55 GPRESSURE: 3042800 -244.927 -68.4485 6.09978 10.8948 181.537 -6.72827 38.4278 -185.2 123.5 PRESSAVG: 3042800 -20.7493 17.6133 16.5738 17.6132 15.0542 19.144 16.5738 19.1441 7.27451 GPRESSAVG: 3042800 -21.0344 16.839 16.0436 17.7857 15.1906 20.0351 19.9304 20.0219 7.96693 TIMING: 3042800 CPU: 9678.84, 0.00317484/step Wall: 9678.84, 0.00317484/step, 1.72606 hours remaining, 240.753906 MB of memory in use. ENERGY: 3042800 3932.4106 20641.1324 14411.4033 242.7520 -203332.4384 2180.8371 0.0000 0.0000 52199.1216 -109724.7813 299.9891 -161923.9029 -109368.7223 298.9878 -6.4709 20.0365 760236.9740 0.5265 0.7077 PRESSURE: 3043000 -603.632 -154.039 222.758 -154.038 380.407 109.567 222.757 109.567 -149.757 GPRESSURE: 3043000 -492.835 -112.492 202.837 -127.24 369.493 82.9381 10.4379 57.9405 -164.797 PRESSAVG: 3043000 -67.2982 -45.9639 2.11155 -45.9639 64.2711 19.367 2.11149 19.3669 -5.62695 GPRESSAVG: 3043000 -66.6408 -47.3492 0.697511 -42.5965 64.6923 18.7172 0.952294 18.1669 -6.32917 TIMING: 3043000 CPU: 9679.47, 0.00315614/step Wall: 9679.47, 0.00315614/step, 1.71571 hours remaining, 240.753906 MB of memory in use. ENERGY: 3043000 4018.4898 20680.9166 14446.2040 239.0742 -203626.2882 2492.1505 0.0000 0.0000 51846.1425 -109903.3107 297.9605 -161749.4532 -109547.7485 299.1961 -124.3274 -96.0459 759939.3977 -2.8847 -2.7592 PRESSURE: 3043200 156.912 -4.27018 38.6303 -4.27015 -189.606 -106.212 38.6306 -106.212 5.02693 GPRESSURE: 3043200 150.01 -71.9732 83.8022 -7.28753 -113.483 -155.24 98.5452 -125.973 26.8475 PRESSAVG: 3043200 -46.2645 -50.9491 38.6595 -50.9491 15.7571 -17.4619 38.6595 -17.4619 -12.8043 GPRESSAVG: 3043200 -46.2238 -51.0563 37.7837 -52.6856 15.0976 -17.7786 37.4394 -15.867 -12.1782 TIMING: 3043200 CPU: 9680.1, 0.0031537/step Wall: 9680.1, 0.0031537/step, 1.71421 hours remaining, 240.753906 MB of memory in use. ENERGY: 3043200 4057.8959 20506.4633 14350.6789 240.7363 -203135.2805 2357.1909 0.0000 0.0000 52030.3719 -109591.9432 299.0193 -161622.3151 -109234.5991 299.2096 -9.2223 21.1251 760624.4492 -14.4372 -14.4348 PRESSURE: 3043400 -227.252 100.959 -52.8859 100.96 -117.016 -189.554 -52.8866 -189.554 -313.088 GPRESSURE: 3043400 -264.017 175.835 -0.201949 -15.762 -84.5618 -192.878 -24.043 -128.762 -214.419 PRESSAVG: 3043400 -46.4636 2.66513 0.70172 2.66523 41.3535 -30.5572 0.701611 -30.5572 9.93643 GPRESSAVG: 3043400 -46.5208 3.6906 2.88907 -0.0770392 41.0858 -31.3106 0.440811 -30.8625 10.2395 TIMING: 3043400 CPU: 9680.73, 0.00315034/step Wall: 9680.73, 0.00315034/step, 1.71221 hours remaining, 240.753906 MB of memory in use. ENERGY: 3043400 3992.6052 20478.1928 14445.7658 245.9009 -203212.8123 2475.4212 0.0000 0.0000 51827.1157 -109747.8107 297.8511 -161574.9263 -109400.0324 299.2701 -219.1189 -187.6661 761411.4245 1.6088 1.6015 PRESSURE: 3043600 -116.846 -117.524 365.133 -117.524 -356.853 163.138 365.133 163.139 -64.1261 GPRESSURE: 3043600 -108.768 -114.095 298.156 -164.994 -301.769 161.144 235.609 148.168 -32.3159 PRESSAVG: 3043600 -5.18949 -11.4022 28.0834 -11.4022 -2.28427 0.813029 28.0834 0.812984 4.94302 GPRESSAVG: 3043600 -6.47888 -12.8486 25.8708 -9.92434 -0.977577 2.27685 30.2582 -1.86905 5.19538 TIMING: 3043600 CPU: 9681.36, 0.00316594/step Wall: 9681.36, 0.00316594/step, 1.72051 hours remaining, 240.753906 MB of memory in use. ENERGY: 3043600 3936.9923 20515.2567 14409.5377 245.5420 -203277.9388 2574.3944 0.0000 0.0000 51823.4372 -109772.7786 297.8300 -161596.2157 -109412.6703 298.7622 -179.2751 -147.6176 762166.4332 -0.8436 -0.7537 PRESSURE: 3043800 -219.954 132.416 -109.952 132.416 -46.9851 189.56 -109.951 189.56 37.8749 GPRESSURE: 3043800 -86.1236 218.999 -44.6932 100.843 -150.362 214.493 -95.4013 114.012 108.658 PRESSAVG: 3043800 2.46918 -19.6713 16.4117 -19.6712 10.596 -17.8617 16.4118 -17.8617 -11.2386 GPRESSAVG: 3043800 4.75788 -18.3611 18.373 -18.072 10.0566 -17.3841 15.5688 -14.8099 -12.3922 TIMING: 3043800 CPU: 9682, 0.00316572/step Wall: 9682, 0.00316572/step, 1.72022 hours remaining, 240.753906 MB of memory in use. ENERGY: 3043800 3964.8005 20598.5901 14480.7913 232.1177 -203606.6579 2580.4317 0.0000 0.0000 52029.9285 -109719.9982 299.0167 -161749.9268 -109349.5388 298.6821 -76.3548 -42.6091 759785.5018 0.6089 0.8074 PRESSURE: 3044000 -238.736 20.0583 -11.4461 20.0588 -531.481 -30.9904 -11.4453 -30.9897 -824.729 GPRESSURE: 3044000 -243.506 58.3731 6.9273 -108.326 -456.489 0.637039 -137.39 76.7426 -813.48 PRESSAVG: 3044000 -12.0907 -3.26438 13.0183 -3.26438 -17.3039 -20.477 13.0183 -20.4769 6.84487 GPRESSAVG: 3044000 -12.6465 -2.91918 12.1951 -4.92164 -16.2867 -21.3028 12.4005 -20.8159 7.17973 TIMING: 3044000 CPU: 9682.63, 0.00316922/step Wall: 9682.63, 0.00316922/step, 1.72194 hours remaining, 240.753906 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: 3044000 4059.7511 20519.3564 14383.1600 261.6080 -202984.5333 1994.4929 0.0000 0.0000 52181.5210 -109584.6440 299.8879 -161766.1649 -109224.2489 299.0283 -531.6488 -504.4918 760984.6516 -7.5166 -7.2511 PRESSURE: 3044200 300.838 -393.125 92.008 -393.125 145.871 245.339 92.0078 245.337 247.355 GPRESSURE: 3044200 439.37 -469.315 158.201 -249.416 163.841 168.878 -33.0678 250.146 162.326 PRESSAVG: 3044200 68.4571 -54.5752 30.2258 -54.5753 -13.9997 23.9763 30.2257 23.9763 -32.94 GPRESSAVG: 3044200 68.2656 -55.4437 31.3724 -53.1667 -13.3807 23.2554 27.6947 24.7979 -33.1424 TIMING: 3044200 CPU: 9683.26, 0.00316502/step Wall: 9683.26, 0.00316502/step, 1.71948 hours remaining, 240.753906 MB of memory in use. ENERGY: 3044200 3966.5437 20707.6703 14407.3952 226.8539 -203942.5940 2754.5539 0.0000 0.0000 52295.7028 -109583.8742 300.5441 -161879.5770 -109218.7659 299.4306 231.3548 255.1789 758922.9724 7.1725 7.2475 LDB: ============= START OF LOAD BALANCING ============== 9695.72 LDB: ============== END OF LOAD BALANCING =============== 9695.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9695.72 LDB: ============= START OF LOAD BALANCING ============== 9696.04 LDB: Largest compute 7031 load 0.036077 is 18.5% of average load 0.195416 LDB: Average compute 0.004395 is 2.2% of average load 0.195416 LDB: TIME 9696.04 LOAD: AVG 0.195416 MAX 0.213686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 9696.04 LOAD: AVG 0.195416 MAX 0.213686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: TIME 9696.04 LOAD: AVG 0.195416 MAX 0.213686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.617 MB LDB: ============== END OF LOAD BALANCING =============== 9696.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9696.05 PRESSURE: 3044400 139.758 126.313 136.982 126.314 360.259 129.508 136.981 129.507 -115.556 GPRESSURE: 3044400 164.535 106.449 120.919 171.561 278.746 244.332 224.949 -4.64004 4.12827 PRESSAVG: 3044400 4.68522 -37.0962 28.9006 -37.0962 -3.01007 -12.3006 28.9006 -12.3006 4.56791 GPRESSAVG: 3044400 5.55812 -36.2369 26.4785 -36.7413 -4.21176 -12.2666 31.789 -14.9843 5.18092 TIMING: 3044400 CPU: 9683.91, 0.00323554/step Wall: 9683.91, 0.00323554/step, 1.75762 hours remaining, 241.890625 MB of memory in use. ENERGY: 3044400 4038.4501 20620.9134 14346.9771 245.2495 -203693.7826 2499.1810 0.0000 0.0000 52266.4206 -109676.5910 300.3758 -161943.0116 -109311.5322 299.1287 128.1536 149.1363 759530.6429 2.0810 2.1758 PRESSURE: 3044600 -47.2203 19.5106 -161.721 19.511 147.501 5.93146 -161.721 5.9304 200.98 GPRESSURE: 3044600 -16.5612 91.6125 -256.874 -59.4011 197.201 -74.029 -173.034 104.122 210.418 PRESSAVG: 3044600 4.54274 30.6074 31.0735 30.6073 -22.7439 24.6125 31.0735 24.6126 -9.39172 GPRESSAVG: 3044600 3.50998 30.4553 33.1597 29.7562 -21.8971 23.3389 30.971 25.4437 -8.99482 TIMING: 3044600 CPU: 9684.54, 0.0031684/step Wall: 9684.54, 0.0031684/step, 1.72097 hours remaining, 241.890625 MB of memory in use. ENERGY: 3044600 3914.2490 20356.8419 14502.3290 258.4838 -203574.5307 2599.0151 0.0000 0.0000 52029.3801 -109914.2318 299.0136 -161943.6119 -109551.1375 298.7496 100.4203 130.3524 760102.9481 -9.1976 -9.1273 PRESSURE: 3044800 -4.60133 -210.55 -302.127 -210.551 -507.63 73.3079 -302.126 73.3081 92.3051 GPRESSURE: 3044800 3.0777 -101.619 -245.787 -215.86 -457.653 52.0954 -148.688 122.45 105.089 PRESSAVG: 3044800 -12.1926 -47.7975 -41.9665 -47.7975 13.582 69.7486 -41.9666 69.7486 8.3333 GPRESSAVG: 3044800 -11.8547 -49.1562 -42.4965 -47.7144 13.8013 70.2531 -41.3775 70.8649 7.48317 TIMING: 3044800 CPU: 9685.18, 0.00320222/step Wall: 9685.18, 0.00320222/step, 1.73916 hours remaining, 241.890625 MB of memory in use. ENERGY: 3044800 3979.0316 20608.2993 14433.1374 236.4071 -203210.3503 2280.4252 0.0000 0.0000 51854.8310 -109818.2187 298.0104 -161673.0497 -109464.2718 298.7705 -139.9755 -116.4951 761531.6857 3.2409 3.1433 PRESSURE: 3045000 -14.0458 -13.4791 -74.992 -13.4781 -165.942 82.5905 -74.9917 82.5898 -395.192 GPRESSURE: 3045000 26.451 -28.1381 8.96675 38.5606 -155.48 100.503 -146.183 -12.688 -347.075 PRESSAVG: 3045000 -19.0509 -45.2596 -33.7884 -45.2596 6.09096 46.64 -33.7885 46.6399 3.2113 GPRESSAVG: 3045000 -19.6744 -45.6494 -34.3305 -45.4984 5.75471 48.4797 -33.8974 45.6972 4.0617 TIMING: 3045000 CPU: 9685.83, 0.00320243/step Wall: 9685.83, 0.00320243/step, 1.7391 hours remaining, 241.890625 MB of memory in use. ENERGY: 3045000 3963.0924 20404.3617 14482.3149 252.0699 -203381.1989 2543.5017 0.0000 0.0000 51976.3331 -109759.5251 298.7087 -161735.8583 -109407.1470 298.6194 -191.7266 -158.7013 760416.2375 -3.2495 -3.2860 PRESSURE: 3045200 -258.137 -146.535 -81.9172 -146.535 -329.9 124.68 -81.9162 124.68 -574.036 GPRESSURE: 3045200 -207.852 -16.7524 -137.976 15.0093 -304.305 88.7952 -132.029 119.348 -553.003 PRESSAVG: 3045200 -62.2775 -33.1285 -5.63583 -33.1284 84.0202 64.9437 -5.63571 64.9437 1.32512 GPRESSAVG: 3045200 -61.5986 -31.6476 -7.02227 -33.5711 84.6079 63.6827 -5.80183 64.9333 -0.0661584 TIMING: 3045200 CPU: 9686.47, 0.00321793/step Wall: 9686.47, 0.00321793/step, 1.74734 hours remaining, 241.890625 MB of memory in use. ENERGY: 3045200 4029.2793 20502.1153 14640.1226 260.7883 -203098.1516 2190.6104 0.0000 0.0000 52067.9171 -109407.3186 299.2350 -161475.2357 -109054.5921 299.3021 -387.3575 -355.0531 761563.4493 7.6893 7.6477 PRESSURE: 3045400 69.2364 -144.426 -60.6769 -144.426 -41.3489 -76.8628 -60.6759 -76.8632 42.8247 GPRESSURE: 3045400 18.4707 -193.909 -56.8175 -63.5838 -26.3422 -49.9207 24.5983 -93.8259 136.97 PRESSAVG: 3045400 14.5835 -39.3947 -46.5139 -39.3947 8.4408 37.142 -46.514 37.142 -32.6 GPRESSAVG: 3045400 13.9647 -38.4633 -43.9117 -40.2944 7.32681 38.0132 -46.9292 36.9482 -31.3152 TIMING: 3045400 CPU: 9687.12, 0.00324533/step Wall: 9687.12, 0.00324533/step, 1.76204 hours remaining, 241.890625 MB of memory in use. ENERGY: 3045400 4006.4241 20618.6569 14491.1241 236.0632 -203482.4252 2535.2468 0.0000 0.0000 52165.7240 -109429.1860 299.7971 -161594.9101 -109064.7534 299.5884 23.5707 43.0328 760880.1351 -3.1919 -3.3412 PRESSURE: 3045600 153.283 -39.3335 -60.7226 -39.3332 291.3 5.74474 -60.7232 5.74486 -166.169 GPRESSURE: 3045600 132.754 -47.4904 -21.2039 -106.619 360.843 -103.791 -68.4655 1.33404 -131.364 PRESSAVG: 3045600 -2.8703 -47.7601 5.07667 -47.7601 46.0924 50.2044 5.07665 50.2043 -0.801281 GPRESSAVG: 3045600 -3.90297 -48.766 4.41309 -46.5261 47.1198 48.7198 5.07719 50.2169 -0.868243 TIMING: 3045600 CPU: 9687.76, 0.00322669/step Wall: 9687.76, 0.00322669/step, 1.75174 hours remaining, 241.890625 MB of memory in use. ENERGY: 3045600 4007.3247 20774.4213 14499.4787 257.3594 -203510.4153 2734.0185 0.0000 0.0000 51892.5547 -109345.2579 298.2272 -161237.8126 -108996.1970 299.3236 92.8045 120.7446 761817.2894 14.1403 14.1162 PRESSURE: 3045800 334.637 187.213 -161.677 187.212 39.8885 -181.499 -161.677 -181.499 97.8908 GPRESSURE: 3045800 343.956 127.056 -186 164.597 49.6046 -133.697 -21.9515 -184.76 164.279 PRESSAVG: 3045800 37.4919 -14.6248 -1.23805 -14.6248 -18.8876 -5.03867 -1.2381 -5.03864 -7.66179 GPRESSAVG: 3045800 38.1761 -15.0718 -2.06121 -15.388 -19.9171 -3.28128 -0.65974 -4.5534 -7.18762 TIMING: 3045800 CPU: 9688.4, 0.00320702/step Wall: 9688.4, 0.00320701/step, 1.74087 hours remaining, 241.890625 MB of memory in use. ENERGY: 3045800 4041.3611 20491.3830 14486.3448 267.0847 -203486.8856 2715.0665 0.0000 0.0000 52241.9992 -109243.6462 300.2355 -161485.6455 -108878.0217 299.9201 157.4722 185.9466 760923.9115 3.6475 3.6905 PRESSURE: 3046000 297.063 113.928 43.908 113.928 359.039 -121.739 43.9089 -121.738 15.6457 GPRESSURE: 3046000 281.566 160.742 30.4434 49.3124 364.777 -215.869 -53.4507 26.4898 108.003 PRESSAVG: 3046000 -56.2259 25.5895 -28.7598 25.5895 74.4352 36.2814 -28.7598 36.2814 2.07353 GPRESSAVG: 3046000 -55.3667 24.3796 -28.0764 26.6474 74.9926 35.3713 -27.9436 37.2406 0.682739 TIMING: 3046000 CPU: 9689.04, 0.0031957/step Wall: 9689.04, 0.0031957/step, 1.73456 hours remaining, 241.890625 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: 3046000 4023.3500 20657.4317 14497.3349 261.9681 -203159.5044 2338.2108 0.0000 0.0000 52008.4024 -109372.8066 298.8930 -161381.2089 -109009.5608 299.6893 223.9159 251.4485 759933.4246 6.7609 6.7695 PRESSURE: 3046200 -188.401 57.9684 150.787 57.9681 -60.5343 125.853 150.787 125.853 -40.1489 GPRESSURE: 3046200 -200.367 -58.8757 129.218 41.9079 -9.14717 137.71 84.2387 -91.2991 -4.86659 PRESSAVG: 3046200 2.98961 -34.3516 -30.3561 -34.3516 22.877 0.344535 -30.3561 0.344511 0.471119 GPRESSAVG: 3046200 2.43727 -33.9097 -29.7186 -36.0818 22.5981 -0.453403 -32.7976 1.54975 0.959442 TIMING: 3046200 CPU: 9689.69, 0.00325366/step Wall: 9689.69, 0.00325366/step, 1.76584 hours remaining, 241.890625 MB of memory in use. ENERGY: 3046200 3937.3385 20798.5796 14470.2988 238.1678 -202787.3155 2068.8004 0.0000 0.0000 52274.9349 -108999.1953 300.4248 -161274.1302 -108646.8297 300.3500 -96.3613 -71.4603 761296.3427 8.7792 8.6649 PRESSURE: 3046400 426.563 219.448 129.069 219.449 374.983 72.4132 129.069 72.414 452.283 GPRESSURE: 3046400 504.945 217.743 202.99 156.999 449.993 126.394 255.796 -5.45985 394.567 PRESSAVG: 3046400 -58.1739 -42.8994 41.2257 -42.8994 91.0573 29.6235 41.2257 29.6235 19.287 GPRESSAVG: 3046400 -58.4364 -40.3352 41.1256 -42.2292 90.9172 30.0173 43.0709 25.353 19.3727 TIMING: 3046400 CPU: 9690.34, 0.00320703/step Wall: 9690.34, 0.00320703/step, 1.74035 hours remaining, 241.890625 MB of memory in use. ENERGY: 3046400 3907.6709 20675.4049 14414.3301 250.5325 -203134.8559 2575.5788 0.0000 0.0000 52242.4497 -109068.8891 300.2381 -161311.3388 -108709.1376 300.5732 417.9430 449.8351 758306.3585 17.3902 17.2845 PRESSURE: 3046600 93.7579 -15.451 -221.422 -15.4511 91.9658 19.5718 -221.422 19.5724 -114.675 GPRESSURE: 3046600 165.276 -98.5371 -291.963 -182.351 182.907 -19.7787 -176.502 95.0214 -185.021 PRESSAVG: 3046600 1.67757 -20.4085 -11.1065 -20.4085 57.0198 -6.73348 -11.1065 -6.73347 -4.30842 GPRESSAVG: 3046600 1.94614 -20.3347 -11.4337 -21.2193 57.3472 -4.86832 -11.2773 -3.61889 -4.81462 TIMING: 3046600 CPU: 9690.98, 0.00321286/step Wall: 9690.98, 0.00321286/step, 1.74333 hours remaining, 241.890625 MB of memory in use. ENERGY: 3046600 4037.4718 20489.7791 14469.1777 251.2440 -202755.6960 2173.4090 0.0000 0.0000 52085.9221 -109248.6924 299.3385 -161334.6145 -108889.1201 300.1871 23.6828 54.3873 758862.0585 18.1296 18.1596 PRESSURE: 3046800 471.921 0.113242 14.839 0.112709 220.706 -52.4026 14.8386 -52.4026 296.227 GPRESSURE: 3046800 442.011 -47.1118 35.4317 -35.046 346.107 54.6307 31.1602 -171.396 295.191 PRESSAVG: 3046800 -23.2447 -22.6351 2.64894 -22.6351 33.86 27.5694 2.64892 27.5694 -22.1602 GPRESSAVG: 3046800 -24.0737 -27.2731 1.63695 -21.5401 33.8142 25.1659 1.43674 27.0296 -21.3739 TIMING: 3046800 CPU: 9691.62, 0.00320205/step Wall: 9691.62, 0.00320205/step, 1.73729 hours remaining, 241.890625 MB of memory in use. ENERGY: 3046800 4009.6598 20567.2110 14435.9080 249.7319 -203151.7601 2682.3537 0.0000 0.0000 52297.6975 -108909.1983 300.5556 -161206.8958 -108552.6418 300.3774 329.6177 361.1032 758266.6165 -3.8483 -3.8778 PRESSURE: 3047000 62.6675 -38.9933 -64.8463 -38.9937 144.214 98.7323 -64.8456 98.7317 254.394 GPRESSURE: 3047000 203.203 -26.7466 -78.5759 -18.2837 151.081 28.3515 -77.3727 107.035 194.384 PRESSAVG: 3047000 34.0163 -19.0869 2.15907 -19.087 3.66322 -18.5444 2.15904 -18.5444 18.9661 GPRESSAVG: 3047000 34.7673 -16.1235 3.35849 -19.1061 3.30021 -16.7097 2.22445 -18.25 18.3506 TIMING: 3047000 CPU: 9692.25, 0.00315683/step Wall: 9692.25, 0.00315683/step, 1.71258 hours remaining, 241.890625 MB of memory in use. ENERGY: 3047000 3936.2393 20724.4414 14503.8090 266.8582 -203113.3301 2185.9568 0.0000 0.0000 52530.2511 -108965.7742 301.8921 -161496.0253 -108601.9906 300.7759 153.7585 182.8895 759200.6124 18.8819 18.8060 PRESSURE: 3047200 10.2883 185.565 297.885 185.565 -157.906 -31.3125 297.885 -31.3114 -113.049 GPRESSURE: 3047200 27.3611 112.498 231.981 132.158 -224.966 -91.6077 300.092 -4.18814 17.5948 PRESSAVG: 3047200 59.6933 -11.5153 19.1253 -11.5153 -38.8987 8.84924 19.1252 8.84926 25.1461 GPRESSAVG: 3047200 59.9782 -10.668 19.0752 -9.33421 -39.969 7.46927 19.186 9.85192 25.4882 TIMING: 3047200 CPU: 9692.88, 0.00316234/step Wall: 9692.88, 0.00316234/step, 1.71539 hours remaining, 241.890625 MB of memory in use. ENERGY: 3047200 4031.4731 20631.6123 14486.9038 264.1886 -203149.1013 2333.1126 0.0000 0.0000 52239.9047 -109161.9062 300.2235 -161401.8109 -108794.1523 300.0342 -86.8891 -60.0032 758564.5598 15.3136 15.1658 PRESSURE: 3047400 -77.8567 163.62 0.79563 163.622 216.611 5.85327 0.795731 5.853 -142.661 GPRESSURE: 3047400 -97.9397 -7.70511 91.7412 212.619 303.387 -16.8511 14.4898 -117.767 -129.885 PRESSAVG: 3047400 17.6117 -22.3772 18.8209 -22.3773 -34.2276 -21.3569 18.8209 -21.3569 16.7277 GPRESSAVG: 3047400 17.1958 -23.2273 18.0386 -22.3908 -33.3748 -20.8412 19.4299 -23.0554 16.5521 TIMING: 3047400 CPU: 9693.52, 0.00317691/step Wall: 9693.52, 0.00317691/step, 1.72312 hours remaining, 241.890625 MB of memory in use. ENERGY: 3047400 4003.2999 20727.6447 14478.4754 271.8053 -202854.4234 2305.5926 0.0000 0.0000 52151.6555 -108915.9500 299.7163 -161067.6055 -108556.7484 299.9706 -1.3024 25.1876 760531.5922 0.0373 0.1243 PRESSURE: 3047600 29.4913 -141.912 -79.7943 -141.912 33.1724 -108.767 -79.794 -108.766 -264.682 GPRESSURE: 3047600 101.936 -100.054 -124.915 -96.0454 20.2058 -80.4835 -247.396 154.501 -224.231 PRESSAVG: 3047600 40.0235 -34.5572 20.4426 -34.5572 -19.2438 -37.0131 20.4426 -37.013 -5.99703 GPRESSAVG: 3047600 39.696 -34.9482 20.1847 -34.7089 -19.6457 -37.391 21.6703 -34.6711 -5.18486 TIMING: 3047600 CPU: 9694.16, 0.00319781/step Wall: 9694.16, 0.00319781/step, 1.73428 hours remaining, 241.890625 MB of memory in use. ENERGY: 3047600 4083.7026 20562.6164 14498.8771 252.4109 -203161.4861 2520.0919 0.0000 0.0000 52085.2888 -109158.4983 299.3349 -161243.7871 -108803.4832 300.4767 -67.3395 -34.0295 761530.6491 4.9275 4.9552 PRESSURE: 3047800 -240.663 -27.3094 153.393 -27.3083 -259.853 -89.9272 153.394 -89.927 -284.91 GPRESSURE: 3047800 -319.472 -77.1995 99.3172 -29.9824 -211.765 -120.515 122.532 46.7636 -159.836 PRESSAVG: 3047800 -78.8902 -5.27744 -42.2028 -5.27738 62.4846 8.69594 -42.2027 8.69584 -2.30516 GPRESSAVG: 3047800 -79.5657 -2.93692 -40.0018 -6.07783 63.5522 9.89357 -44.4131 6.6442 -2.30801 TIMING: 3047800 CPU: 9694.8, 0.00319081/step Wall: 9694.8, 0.00319081/step, 1.73031 hours remaining, 241.890625 MB of memory in use. ENERGY: 3047800 3920.7666 20498.6550 14503.1930 245.7960 -202845.9768 2246.3644 0.0000 0.0000 52036.9784 -109394.2232 299.0572 -161431.2017 -109031.2433 299.9832 -261.8086 -230.3578 762327.3527 -6.2369 -6.1072 PRESSURE: 3048000 359.627 50.4448 122.978 50.4458 190.434 248.332 122.977 248.333 -48.6905 GPRESSURE: 3048000 390.099 105.23 135.624 100.344 288.172 275.314 134.561 278.014 -101.8 PRESSAVG: 3048000 -25.5421 0.80265 22.0514 0.802622 14.074 63.3986 22.0514 63.3987 -6.54277 GPRESSAVG: 3048000 -25.2063 -0.00308027 19.5174 0.0996497 13.9837 62.0268 23.6568 63.4977 -6.61508 TIMING: 3048000 CPU: 9695.43, 0.00316562/step Wall: 9695.43, 0.00316562/step, 1.71647 hours remaining, 241.890625 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: 3048000 4067.6796 20597.3927 14423.2958 229.1020 -203384.7084 2600.7070 0.0000 0.0000 52190.9500 -109275.5813 299.9421 -161466.5313 -108921.7192 299.8793 167.1235 192.1571 759045.4440 -6.0036 -5.9459 PRESSURE: 3048200 -258.287 -89.647 38.6488 -89.6475 -219.618 -129.464 38.6486 -129.463 -440.675 GPRESSURE: 3048200 -269.106 -184.965 73.6705 -9.26209 -169.127 -197.455 69.933 -124.791 -394.017 PRESSAVG: 3048200 -52.5283 -28.8133 -44.1291 -28.8133 71.4505 23.4177 -44.1291 23.4177 28.4869 GPRESSAVG: 3048200 -51.4756 -28.3817 -42.9975 -27.9513 69.7924 24.9399 -45.2341 20.3896 28.6803 TIMING: 3048200 CPU: 9696.06, 0.0031676/step Wall: 9696.06, 0.0031676/step, 1.71737 hours remaining, 241.890625 MB of memory in use. ENERGY: 3048200 3967.5795 20367.7572 14440.8671 246.1930 -202884.8557 2180.7088 0.0000 0.0000 52448.0437 -109233.7066 301.4196 -161681.7503 -108863.8752 300.3882 -306.1933 -277.4167 760168.5832 15.8030 15.6657 LDB: ============= START OF LOAD BALANCING ============== 9708.52 LDB: ============== END OF LOAD BALANCING =============== 9708.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9708.52 LDB: ============= START OF LOAD BALANCING ============== 9708.84 LDB: Largest compute 7034 load 0.037221 is 19.1% of average load 0.195315 LDB: Average compute 0.004394 is 2.2% of average load 0.195315 LDB: TIME 9708.84 LOAD: AVG 0.195315 MAX 0.218476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.434 MB LDB: TIME 9708.84 LOAD: AVG 0.195315 MAX 0.218476 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.504 MB LDB: TIME 9708.84 LOAD: AVG 0.195315 MAX 0.214985 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.504 MB LDB: ============== END OF LOAD BALANCING =============== 9708.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9708.85 PRESSURE: 3048400 -123.734 -186.226 -214.362 -186.226 -132.517 -327.581 -214.362 -327.58 -215.242 GPRESSURE: 3048400 -150.009 -161.299 -275.818 -79.1025 -36.9319 -341.236 -230.287 -313.418 -195.806 PRESSAVG: 3048400 1.07916 7.04643 25.884 7.04642 14.7418 0.48034 25.8841 0.480423 -11.989 GPRESSAVG: 3048400 0.572382 7.85121 24.0814 7.38256 15.5201 1.10683 24.9537 3.29373 -12.4845 TIMING: 3048400 CPU: 9696.71, 0.00324477/step Wall: 9696.71, 0.00324477/step, 1.75902 hours remaining, 238.976562 MB of memory in use. ENERGY: 3048400 3920.1682 20551.9027 14443.6680 244.6607 -203121.2805 2365.7733 0.0000 0.0000 52018.4680 -109576.6396 298.9509 -161595.1076 -109215.1984 299.4204 -157.1641 -127.5823 761502.0648 1.2773 1.2027 PRESSURE: 3048600 -43.0112 235.001 -130.348 235.001 -45.037 -29.812 -130.349 -29.8127 415.466 GPRESSURE: 3048600 11.8208 203.806 -109.881 197.718 -77.4927 7.86085 -172.283 -74.8648 483.544 PRESSAVG: 3048600 10.7695 -40.8437 -56.0106 -40.8437 8.22631 -14.8553 -56.0106 -14.8553 -0.843159 GPRESSAVG: 3048600 9.15688 -40.8691 -52.8229 -43.0295 9.40394 -18.1429 -53.7393 -15.778 0.0176339 TIMING: 3048600 CPU: 9697.35, 0.0031902/step Wall: 9697.35, 0.0031902/step, 1.72927 hours remaining, 238.976562 MB of memory in use. ENERGY: 3048600 4013.7726 20506.1704 14499.8271 239.6840 -203741.2998 2817.0731 0.0000 0.0000 52288.2430 -109376.5297 300.5013 -161664.7727 -109015.5441 299.5466 109.1394 139.2906 759867.6925 6.0509 6.1928 PRESSURE: 3048800 104.062 -126.046 -172.731 -126.046 -47.3131 108.206 -172.731 108.208 -124.928 GPRESSURE: 3048800 231.729 -169.14 -201.998 -156.263 -90.094 158.878 -133.953 140.679 -133.934 PRESSAVG: 3048800 23.2162 -85.8253 -12.912 -85.8253 -13.9077 8.15223 -12.912 8.15226 13.1925 GPRESSAVG: 3048800 25.5045 -88.616 -12.6586 -82.16 -15.3443 10.1812 -13.5412 7.64263 12.3637 TIMING: 3048800 CPU: 9697.99, 0.00319366/step Wall: 9697.99, 0.00319366/step, 1.73096 hours remaining, 238.976562 MB of memory in use. ENERGY: 3048800 4008.4342 20637.8485 14455.8939 236.4417 -203340.6259 2496.9820 0.0000 0.0000 52061.8916 -109443.1340 299.2004 -161505.0255 -109078.2199 300.0363 -22.7263 2.5670 760579.8361 7.5003 7.5080 PRESSURE: 3049000 -20.9066 96.2801 113.2 96.2806 188.984 -56.3235 113.2 -56.3246 293.038 GPRESSURE: 3049000 109.614 131.75 194.127 67.8673 97.1784 -152.266 105.964 77.5576 338.219 PRESSAVG: 3049000 31.581 0.245664 -11.1843 0.245597 -29.0057 -3.65839 -11.1844 -3.65837 -11.3744 GPRESSAVG: 3049000 32.3441 1.49841 -12.1173 -2.05137 -30.0143 -2.70356 -9.28196 -2.43451 -10.84 TIMING: 3049000 CPU: 9698.62, 0.00316341/step Wall: 9698.62, 0.00316341/step, 1.71439 hours remaining, 238.976562 MB of memory in use. ENERGY: 3049000 4031.2615 20570.3889 14471.3606 259.0552 -203374.9134 2407.1482 0.0000 0.0000 51986.9227 -109648.7763 298.7696 -161635.6990 -109288.1918 299.3187 153.7053 181.6703 759566.4630 -2.9330 -2.8367 PRESSURE: 3049200 -265.647 -145.75 67.239 -145.75 -148.281 -51.9113 67.2394 -51.9104 -28.479 GPRESSURE: 3049200 -195.64 -65.5126 34.4216 -174.896 -60.419 -166.412 79.9502 -169.903 -81.3362 PRESSAVG: 3049200 12.5172 -35.2845 -18.5521 -35.2845 -25.2892 -33.6379 -18.552 -33.6379 -2.66072 GPRESSAVG: 3049200 12.1921 -34.4347 -19.7192 -35.1629 -24.2796 -34.6716 -18.3028 -34.5195 -3.40632 TIMING: 3049200 CPU: 9699.25, 0.00316561/step Wall: 9699.25, 0.00316561/step, 1.71541 hours remaining, 238.976562 MB of memory in use. ENERGY: 3049200 3946.7717 20529.1364 14490.7981 237.5807 -203223.0463 2326.9401 0.0000 0.0000 51859.4959 -109832.3234 298.0372 -161691.8193 -109465.6889 299.7464 -147.4688 -112.4650 759222.2410 -5.1442 -5.1646 PRESSURE: 3049400 -56.656 38.9322 -71.6965 38.9327 -106.79 104.757 -71.6963 104.757 -161.66 GPRESSURE: 3049400 -52.902 -7.66793 -67.0248 3.62864 -38.5203 136.349 -150.488 136.263 -145.788 PRESSAVG: 3049400 65.4135 10.7645 -56.6068 10.7646 -3.42814 7.31279 -56.6069 7.31288 -16.5673 GPRESSAVG: 3049400 64.7625 10.9704 -56.1383 11.1481 -3.49839 7.44179 -58.6717 6.31313 -16.1563 TIMING: 3049400 CPU: 9699.89, 0.00319425/step Wall: 9699.89, 0.00319425/step, 1.73075 hours remaining, 238.976562 MB of memory in use. ENERGY: 3049400 3986.7946 20414.9937 14427.6343 251.5446 -203505.5364 2309.4864 0.0000 0.0000 52070.9168 -110044.1660 299.2523 -162115.0828 -109676.6573 298.4314 -108.3688 -79.0701 760887.2771 15.1394 15.0359 PRESSURE: 3049600 46.6213 -52.2708 167.889 -52.2705 -183.993 -35.3849 167.889 -35.3855 -135.872 GPRESSURE: 3049600 87.5954 -24.1388 196.137 -190.03 -124.086 24.2753 122.252 -137.386 -163.651 PRESSAVG: 3049600 34.7585 -5.2704 -29.1728 -5.27041 -6.41414 34.8101 -29.1727 34.8101 34.3431 GPRESSAVG: 3049600 33.971 -5.16382 -28.221 -5.06083 -5.39776 33.126 -30.8513 37.1884 34.3032 TIMING: 3049600 CPU: 9700.53, 0.00319459/step Wall: 9700.53, 0.00319459/step, 1.73076 hours remaining, 238.976562 MB of memory in use. ENERGY: 3049600 3979.8117 20553.7865 14419.6683 274.8856 -203659.3074 2552.5919 0.0000 0.0000 51842.4315 -110036.1318 297.9392 -161878.5633 -109674.9279 298.5025 -91.0813 -66.7139 760870.6981 20.8958 20.9588 PRESSURE: 3049800 -301.787 247.097 -4.67158 247.097 -84.8074 -154.627 -4.6712 -154.628 326.601 GPRESSURE: 3049800 -223.562 134.673 9.83803 270.149 -69.5333 -99.6803 6.94102 -154.048 319.553 PRESSAVG: 3049800 6.34867 27.9926 -7.7955 27.9925 -26.9167 -2.50195 -7.79552 -2.50199 -8.63863 GPRESSAVG: 3049800 7.12397 27.6596 -8.26586 28.4925 -29.0564 -1.58611 -4.87205 -4.01641 -7.74691 TIMING: 3049800 CPU: 9701.17, 0.00320332/step Wall: 9701.17, 0.00320331/step, 1.73531 hours remaining, 238.976562 MB of memory in use. ENERGY: 3049800 3984.6084 20586.0498 14423.6455 246.7240 -203594.3201 2482.1185 0.0000 0.0000 52137.7399 -109733.4340 299.6363 -161871.1739 -109383.0843 298.5679 -19.9979 8.8190 762123.2601 -9.7355 -9.8931 PRESSURE: 3050000 -50.9199 -41.9926 -94.7683 -41.9929 1.9839 105.044 -94.7677 105.043 -304.179 GPRESSURE: 3050000 2.01943 8.59981 -134.441 50.7675 -10.5141 40.8554 -119.056 84.927 -278.903 PRESSAVG: 3050000 -84.1533 19.3429 -12.0792 19.3429 47.3236 -15.9851 -12.0792 -15.985 31.2736 GPRESSAVG: 3050000 -82.7374 19.7485 -12.2775 17.4343 46.5904 -16.5359 -13.5093 -14.6701 30.6639 TIMING: 3050000 CPU: 9701.8, 0.00316021/step Wall: 9701.8, 0.00316021/step, 1.71178 hours remaining, 238.976562 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: 3050000 3950.9686 20414.5110 14443.1035 243.0213 -204053.6593 2910.7827 0.0000 0.0000 52318.4753 -109772.7970 300.6750 -162091.2723 -109402.3592 299.4637 -117.7050 -95.7991 761454.2281 -1.8520 -1.8277 PRESSURE: 3050200 -312.889 60.7425 135.168 60.7425 -324.801 167.413 135.168 167.412 -103.178 GPRESSURE: 3050200 -290.635 54.5295 148.907 165.408 -265.896 205.299 152.195 194.468 -92.254 PRESSAVG: 3050200 0.373464 -25.8813 -55.9222 -25.8813 13.8693 -5.39725 -55.9222 -5.39711 0.0665287 GPRESSAVG: 3050200 0.16725 -25.2472 -55.9838 -25.0245 15.5272 -3.63667 -54.1614 -6.2965 -1.23627 TIMING: 3050200 CPU: 9702.44, 0.00317754/step Wall: 9702.44, 0.00317754/step, 1.72099 hours remaining, 238.976562 MB of memory in use. ENERGY: 3050200 4049.7034 20382.8486 14465.8797 238.1705 -203609.0426 2532.4348 0.0000 0.0000 51935.5585 -110004.4471 298.4744 -161940.0055 -109636.5644 298.7731 -246.9558 -216.2617 758979.0711 4.7698 4.8194 PRESSURE: 3050400 142.403 -81.5296 -233.972 -81.53 209.738 -251.682 -233.972 -251.683 -51.2301 GPRESSURE: 3050400 106.276 32.5584 -190.063 -12.9953 280.546 -210.869 -171.301 -311.473 -13.1385 PRESSAVG: 3050400 -20.5664 24.0726 29.3085 24.0726 16.2534 -52.1333 29.3085 -52.1332 11.9808 GPRESSAVG: 3050400 -19.3357 22.0978 29.6258 25.4569 14.2268 -51.737 29.8061 -51.8568 12.8145 TIMING: 3050400 CPU: 9703.07, 0.00315283/step Wall: 9703.07, 0.00315283/step, 1.70743 hours remaining, 238.976562 MB of memory in use. ENERGY: 3050400 3969.7487 20485.2840 14497.0151 235.3383 -203613.7234 2639.2293 0.0000 0.0000 51891.8944 -109895.2137 298.2234 -161787.1081 -109530.9774 298.6287 100.3034 124.5611 759755.1241 2.5560 2.5685 PRESSURE: 3050600 -74.6641 5.87361 34.4346 5.8736 -236.408 21.2817 34.4347 21.2812 -372.792 GPRESSURE: 3050600 22.5848 6.70374 -33.3505 -108.1 -289.87 -40.4462 156.197 -116.42 -327.549 PRESSAVG: 3050600 35.845 11.8803 -40.5268 11.8803 24.8891 -1.847 -40.5269 -1.84706 6.23882 GPRESSAVG: 3050600 33.6415 12.8852 -40.973 11.5209 26.989 -2.25902 -41.4464 -3.94057 5.93284 TIMING: 3050600 CPU: 9703.7, 0.00315591/step Wall: 9703.7, 0.00315591/step, 1.70892 hours remaining, 238.976562 MB of memory in use. ENERGY: 3050600 4005.9077 20464.4586 14430.7884 269.7646 -203399.6672 2367.7006 0.0000 0.0000 52131.9329 -109729.1145 299.6029 -161861.0474 -109364.0970 299.1877 -227.9549 -198.2781 759709.5356 22.3243 22.1878 PRESSURE: 3050800 -263.946 -58.0874 -75.2183 -58.0869 -124.646 -67.0276 -75.2172 -67.0281 -145.991 GPRESSURE: 3050800 -118.331 98.4162 -40.8022 -77.3358 -152.627 -123.093 -82.9464 -189.458 -172.204 PRESSAVG: 3050800 -11.4253 -14.5886 -47.8118 -14.5886 -4.19543 -2.32438 -47.8117 -2.32434 -1.84841 GPRESSAVG: 3050800 -9.35327 -14.0355 -47.0271 -13.9031 -5.5454 -1.60855 -49.3464 -1.47385 -2.3617 TIMING: 3050800 CPU: 9704.34, 0.00317243/step Wall: 9704.34, 0.00317243/step, 1.71769 hours remaining, 238.976562 MB of memory in use. ENERGY: 3050800 3972.9593 20642.1448 14495.7615 258.6150 -203581.6245 2518.6523 0.0000 0.0000 52160.3842 -109533.1074 299.7664 -161693.4917 -109170.8306 299.4459 -178.1941 -147.7208 760071.5957 -5.8231 -5.7535 PRESSURE: 3051000 251.863 191.749 -11.8128 191.749 168.75 5.32911 -11.8131 5.33048 98.9697 GPRESSURE: 3051000 326.213 120.999 48.7815 217.055 157.259 27.677 52.1255 -114.298 116.283 PRESSAVG: 3051000 22.0948 -53.7995 3.13623 -53.7996 -4.54815 12.1717 3.13626 12.1716 9.88677 GPRESSAVG: 3051000 21.2055 -55.7818 2.75423 -52.7073 -3.99087 12.1664 4.20529 10.7812 10.0402 TIMING: 3051000 CPU: 9704.97, 0.00316186/step Wall: 9704.97, 0.00316186/step, 1.71179 hours remaining, 238.976562 MB of memory in use. ENERGY: 3051000 3977.4013 20612.2319 14517.0978 242.9811 -203654.8267 2677.4634 0.0000 0.0000 52010.4261 -109617.2252 298.9046 -161627.6513 -109248.1301 299.5506 173.1942 199.9185 758460.5135 9.1445 9.0849 PRESSURE: 3051200 -118.972 -73.325 108.468 -73.3249 265.866 63.3222 108.469 63.3225 -316.152 GPRESSURE: 3051200 -132.281 15.9124 137.174 -45.103 289.342 90.9669 39.8832 -92.103 -248.509 PRESSAVG: 3051200 -5.03497 -43.9001 -30.363 -43.9001 12.891 -9.46252 -30.363 -9.46244 -0.33986 GPRESSAVG: 3051200 -5.53926 -43.7258 -30.6518 -45.4104 13.0787 -7.88158 -27.3124 -8.3491 0.162242 TIMING: 3051200 CPU: 9705.6, 0.00316797/step Wall: 9705.6, 0.00316797/step, 1.71493 hours remaining, 238.976562 MB of memory in use. ENERGY: 3051200 4038.4343 20611.5584 14440.8723 242.6937 -203484.4143 2491.1488 0.0000 0.0000 52004.8795 -109654.8272 298.8728 -161659.7067 -109290.5683 299.2084 -56.4196 -30.4829 758923.5694 2.5054 2.5672 PRESSURE: 3051400 70.6363 -67.4857 114.099 -67.4859 334.152 89.3074 114.099 89.308 209.526 GPRESSURE: 3051400 70.3434 -97.7782 100.479 -7.79088 407.548 185.616 62.9017 32.8176 217.184 PRESSAVG: 3051400 -36.0322 -5.39204 -25.4536 -5.39205 18.5969 -9.17338 -25.4536 -9.17334 -22.4744 GPRESSAVG: 3051400 -36.3244 -5.13677 -23.9588 -3.21959 18.4314 -11.3518 -29.1683 -7.86163 -22.2495 TIMING: 3051400 CPU: 9706.24, 0.00318928/step Wall: 9706.24, 0.00318928/step, 1.72629 hours remaining, 238.976562 MB of memory in use. ENERGY: 3051400 3877.3376 20621.5730 14433.4793 250.3649 -203515.8362 2626.3631 0.0000 0.0000 52092.7262 -109613.9919 299.3776 -161706.7182 -109259.7450 299.1240 204.7713 231.6918 759686.1422 -13.3032 -13.3808 PRESSURE: 3051600 -280.778 -164.083 129.774 -164.083 67.012 -93.4602 129.774 -93.4593 -233.973 GPRESSURE: 3051600 -204.333 -182.134 161.76 -233.293 9.83643 -65.6515 28.4095 -220.542 -180.628 PRESSAVG: 3051600 -11.6066 -25.7066 20.1633 -25.7067 11.4084 -24.0682 20.1633 -24.0681 -10.4365 GPRESSAVG: 3051600 -10.2896 -26.954 18.6212 -28.4821 10.4066 -24.0197 20.2783 -23.4272 -11.0869 TIMING: 3051600 CPU: 9706.87, 0.00317388/step Wall: 9706.87, 0.00317388/step, 1.71777 hours remaining, 238.976562 MB of memory in use. ENERGY: 3051600 4047.5462 20661.9773 14420.9708 244.1090 -203350.7315 2269.3801 0.0000 0.0000 52170.8134 -109535.9346 299.8264 -161706.7480 -109183.4251 299.1735 -149.2462 -125.0415 760156.8940 -3.5449 -3.6566 PRESSURE: 3051800 -63.319 -0.671777 286.152 -0.672144 -101.33 152.082 286.151 152.082 -93.7833 GPRESSURE: 3051800 -1.99074 16.5909 279.866 60.0807 -61.0901 154.308 265.776 87.7359 -96.5893 PRESSAVG: 3051800 20.981 -16.2704 18.9941 -16.2704 -13.3988 -23.2505 18.9941 -23.2506 16.6639 GPRESSAVG: 3051800 19.7689 -14.868 18.4838 -15.1079 -13.0406 -21.8956 19.5291 -26.3853 17.07 TIMING: 3051800 CPU: 9707.51, 0.00317718/step Wall: 9707.51, 0.00317718/step, 1.71939 hours remaining, 238.976562 MB of memory in use. ENERGY: 3051800 4057.0428 20498.5082 14482.8120 230.3322 -203295.7303 2528.7893 0.0000 0.0000 51892.1189 -109606.1268 298.2247 -161498.2457 -109247.1697 299.5139 -86.1442 -53.2234 761580.2919 8.0820 7.9328 PRESSURE: 3052000 -320.04 -38.5503 78.1249 -38.5495 -76.1871 -3.88406 78.1256 -3.88335 -18.6369 GPRESSURE: 3052000 -187.926 -94.1208 146.424 -63.807 -100.375 -78.7308 45.2821 67.5694 -41.2624 PRESSAVG: 3052000 37.981 14.722 1.63928 14.722 3.67834 6.64877 1.63926 6.64886 -7.81257 GPRESSAVG: 3052000 38.8109 15.0348 3.0087 14.165 4.26365 5.71973 2.80958 7.66837 -8.73496 TIMING: 3052000 CPU: 9708.14, 0.00316094/step Wall: 9708.14, 0.00316094/step, 1.71042 hours remaining, 238.976562 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: 3052000 3962.4738 20426.9872 14456.9351 232.1572 -202824.3924 2220.0796 0.0000 0.0000 51984.1507 -109541.6088 298.7536 -161525.7595 -109177.3221 299.1219 -138.2879 -109.8546 759480.9947 11.2823 11.4465 PRESSURE: 3052200 -18.2567 -90.9049 -81.6873 -90.9062 5.45782 7.07407 -81.6878 7.07449 -320.691 GPRESSURE: 3052200 -34.7576 -146.973 -37.2187 -121.342 92.3258 -39.7989 -117.502 -79.4555 -305.248 PRESSAVG: 3052200 59.0568 6.94879 18.7104 6.94887 24.3982 48.0797 18.7105 48.0797 1.73845 GPRESSAVG: 3052200 58.5983 6.07201 18.1337 5.97194 25.6956 46.6229 17.8289 47.4066 1.07608 TIMING: 3052200 CPU: 9708.77, 0.00316109/step Wall: 9708.77, 0.00316109/step, 1.71032 hours remaining, 238.976562 MB of memory in use. ENERGY: 3052200 3994.9024 20610.5745 14395.2214 258.3008 -202868.2409 2114.8969 0.0000 0.0000 52060.7600 -109433.5849 299.1939 -161494.3448 -109081.1559 299.4049 -111.1632 -82.5600 759382.3285 28.3978 28.4567 LDB: ============= START OF LOAD BALANCING ============== 9721.23 LDB: ============== END OF LOAD BALANCING =============== 9721.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9721.23 LDB: ============= START OF LOAD BALANCING ============== 9721.54 LDB: Largest compute 7024 load 0.034988 is 17.9% of average load 0.195282 LDB: Average compute 0.004395 is 2.3% of average load 0.195282 LDB: TIME 9721.55 LOAD: AVG 0.195282 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.035 MB LDB: TIME 9721.55 LOAD: AVG 0.195282 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.238 MB LDB: TIME 9721.55 LOAD: AVG 0.195282 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.238 MB LDB: ============== END OF LOAD BALANCING =============== 9721.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9721.55 PRESSURE: 3052400 -367.366 77.1519 50.4702 77.1519 -103.221 62.7384 50.4703 62.7392 16.7036 GPRESSURE: 3052400 -333.035 93.1686 110.365 80.0523 -124.197 91.4992 149.985 135.707 81.9973 PRESSAVG: 3052400 -13.2252 19.9596 -9.52512 19.9596 4.27707 0.87218 -9.52516 0.872163 4.81398 GPRESSAVG: 3052400 -13.3998 21.0437 -9.0393 21.523 3.60644 2.59253 -8.88459 2.52495 6.12863 TIMING: 3052400 CPU: 9709.42, 0.00321552/step Wall: 9709.42, 0.00321552/step, 1.73959 hours remaining, 241.117188 MB of memory in use. ENERGY: 3052400 4025.8796 20582.3320 14483.3640 243.5398 -203510.1603 2670.6983 0.0000 0.0000 52080.6348 -109423.7118 299.3081 -161504.3466 -109064.8389 299.4413 -151.2943 -125.0784 760294.7814 -1.3781 -1.2216 PRESSURE: 3052600 194.083 61.0736 -90.5655 61.0728 60.9572 -23.3439 -90.5658 -23.3426 179.714 GPRESSURE: 3052600 178.188 167.792 -103.169 40.4443 111.676 -45.0739 -20.0486 64.6212 252.494 PRESSAVG: 3052600 -1.22964 68.539 50.9114 68.5391 -13.722 52.751 50.9114 52.751 0.29452 GPRESSAVG: 3052600 -1.51395 68.134 47.6505 67.2125 -13.6791 52.6199 50.7003 53.5125 0.416645 TIMING: 3052600 CPU: 9710.05, 0.00316262/step Wall: 9710.05, 0.00316262/step, 1.7108 hours remaining, 241.117188 MB of memory in use. ENERGY: 3052600 3944.3630 20445.4260 14512.8149 246.5321 -203404.9038 2768.3384 0.0000 0.0000 52211.7014 -109275.7279 300.0614 -161487.4294 -108917.0067 299.8556 144.9182 180.7859 759914.0926 -4.8857 -4.9255 PRESSURE: 3052800 -73.6711 -40.8387 -0.828997 -40.8385 62.6543 -58.0287 -0.829231 -58.0292 -415.312 GPRESSURE: 3052800 -97.3164 -58.3362 15.5923 -110.289 190.603 -11.961 -90.386 -62.6036 -416.765 PRESSAVG: 3052800 10.6944 9.53158 -1.50566 9.53159 6.70385 -24.7771 -1.50561 -24.7772 10.5569 GPRESSAVG: 3052800 10.4064 10.1108 1.24189 10.204 7.13326 -26.1365 -2.21059 -26.112 9.82945 TIMING: 3052800 CPU: 9710.68, 0.00315569/step Wall: 9710.68, 0.00315569/step, 1.70688 hours remaining, 241.117188 MB of memory in use. ENERGY: 3052800 3969.4284 20550.6156 14530.9119 256.8711 -203223.7635 2423.6655 0.0000 0.0000 52361.5442 -109130.7268 300.9225 -161492.2710 -108757.2609 299.9139 -142.1097 -107.8262 760340.7876 9.3184 9.1230 PRESSURE: 3053000 199.643 68.6395 146.561 68.6395 157.94 -23.2963 146.561 -23.2969 -221.214 GPRESSURE: 3053000 135.053 -18.0617 178.922 135.868 207.361 25.8452 46.6063 74.4221 -122.167 PRESSAVG: 3053000 -59.0936 17.7254 -30.6451 17.7254 45.734 35.8638 -30.645 35.8638 11.1866 GPRESSAVG: 3053000 -58.715 16.3675 -29.3495 19.959 44.617 38.5693 -31.4607 36.82 11.5246 TIMING: 3053000 CPU: 9711.31, 0.00315893/step Wall: 9711.31, 0.00315893/step, 1.70845 hours remaining, 241.117188 MB of memory in use. ENERGY: 3053000 3974.5629 20592.7819 14463.0951 242.7719 -203183.5061 2691.3967 0.0000 0.0000 52112.4987 -109106.3989 299.4912 -161218.8977 -108746.8956 300.1774 45.4564 73.4154 760469.1823 -0.7243 -0.8578 PRESSURE: 3053200 -256.676 -67.2151 -155.992 -67.2147 -1.5449 -157.901 -155.991 -157.9 482.708 GPRESSURE: 3053200 -123.012 15.3831 -199.262 -156.202 5.964 -51.4577 -34.335 -258.329 419.452 PRESSAVG: 3053200 -50.3893 -9.92465 -4.97268 -9.92473 66.0949 51.4083 -4.97267 51.4083 -17.9478 GPRESSAVG: 3053200 -50.2774 -9.50063 -5.74701 -12.6283 65.5932 50.0429 -2.58372 52.4218 -17.6876 TIMING: 3053200 CPU: 9711.94, 0.00315194/step Wall: 9711.94, 0.00315194/step, 1.7045 hours remaining, 241.117188 MB of memory in use. ENERGY: 3053200 3969.5675 20579.3323 14462.6717 246.3471 -203146.8702 2426.7575 0.0000 0.0000 52236.6891 -109225.5049 300.2050 -161462.1940 -108860.5746 300.0116 74.8289 100.8013 759294.1154 -0.7474 -0.7906 PRESSURE: 3053400 23.9226 -40.1131 -33.8992 -40.1136 -7.13595 67.1811 -33.8992 67.1824 126.659 GPRESSURE: 3053400 13.5181 54.2192 -71.8875 -65.8308 80.4045 33.5986 -7.57808 19.106 135.828 PRESSAVG: 3053400 -16.6194 -25.463 16.4005 -25.4631 12.4061 -20.5422 16.4004 -20.5422 25.5348 GPRESSAVG: 3053400 -16.4032 -25.4941 15.9853 -26.4691 13.3872 -20.1524 16.2855 -22.4416 25.0376 TIMING: 3053400 CPU: 9712.58, 0.00318688/step Wall: 9712.58, 0.00318688/step, 1.72322 hours remaining, 241.117188 MB of memory in use. ENERGY: 3053400 3952.9490 20617.2985 14454.2436 237.5120 -202800.0959 2185.9228 0.0000 0.0000 52227.4941 -109124.6759 300.1521 -161352.1700 -108755.3278 300.2547 47.8153 76.5835 759578.7448 7.1072 7.3405 PRESSURE: 3053600 -302.243 151.839 -53.3771 151.839 127.355 -50.5204 -53.3774 -50.5207 -136.368 GPRESSURE: 3053600 -204.144 190.504 40.1347 158.004 108.322 -30.9407 43.9661 -101.044 -120.355 PRESSAVG: 3053600 -65.808 -29.8125 51.2498 -29.8124 18.221 -2.4601 51.2498 -2.46019 -11.6588 GPRESSAVG: 3053600 -65.9384 -30.9894 51.0195 -28.0509 18.1452 -2.97074 50.511 0.0488632 -11.5615 TIMING: 3053600 CPU: 9713.21, 0.0031657/step Wall: 9713.21, 0.0031657/step, 1.71159 hours remaining, 241.117188 MB of memory in use. ENERGY: 3053600 3985.4479 20519.9191 14466.1953 252.8799 -203257.2181 2529.0033 0.0000 0.0000 52382.9961 -109120.7765 301.0458 -161503.7726 -108746.2470 300.4027 -103.7520 -72.0589 761788.8078 -19.7486 -19.7849 PRESSURE: 3053800 -177.222 -9.30873 -186.025 -9.30888 86.281 -31.5125 -186.025 -31.5131 161.673 GPRESSURE: 3053800 -160.563 21.3381 -102.439 34.087 189.201 0.282272 -186.387 -81.5298 134.391 PRESSAVG: 3053800 11.3857 -33.595 -32.3463 -33.595 62.9079 45.6327 -32.3463 45.6327 -2.42626 GPRESSAVG: 3053800 10.2754 -33.5903 -32.0241 -33.0187 64.4861 46.8184 -33.2542 43.678 -2.50841 TIMING: 3053800 CPU: 9713.85, 0.00316277/step Wall: 9713.85, 0.00316277/step, 1.70983 hours remaining, 241.117188 MB of memory in use. ENERGY: 3053800 3979.0763 20497.2946 14507.6361 234.2790 -202992.0501 2454.5161 0.0000 0.0000 52176.2036 -109143.0444 299.8574 -161319.2480 -108785.8540 300.4865 23.5773 54.3432 760821.0685 23.9558 24.0844 PRESSURE: 3054000 -31.8318 -101.185 64.7417 -101.185 54.7046 233.031 64.7418 233.031 197.247 GPRESSURE: 3054000 6.8855 -26.7728 10.6521 -90.6542 104.183 181.11 144.664 184.966 206.432 PRESSAVG: 3054000 33.366 34.9156 -25.3323 34.9156 -19.0276 25.2002 -25.3322 25.2002 -24.0828 GPRESSAVG: 3054000 32.7536 36.2138 -25.1005 33.5186 -18.3322 24.0402 -25.4788 25.9382 -24.2226 TIMING: 3054000 CPU: 9714.48, 0.00315825/step Wall: 9714.48, 0.00315825/step, 1.70721 hours remaining, 241.117188 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: 3054000 4047.9206 20654.8227 14472.9337 229.3947 -203270.6556 2592.8407 0.0000 0.0000 52116.2193 -109156.5239 299.5126 -161272.7431 -108797.0654 300.5800 73.3733 105.8334 760973.7035 -3.2481 -3.2670 PRESSURE: 3054200 -30.3657 8.47399 -164.198 8.47374 -55.9041 250.861 -164.198 250.862 167.831 GPRESSURE: 3054200 -12.496 -112.063 -180.804 -56.5245 27.7424 246.252 -210.191 256.242 149.74 PRESSAVG: 3054200 -10.466 -26.0148 -60.1318 -26.0149 -19.2996 52.1308 -60.1318 52.1308 10.9125 GPRESSAVG: 3054200 -8.90138 -26.114 -60.6455 -24.8322 -21.3771 51.7449 -59.4109 51.9973 11.3583 TIMING: 3054200 CPU: 9715.11, 0.00316554/step Wall: 9715.11, 0.00316554/step, 1.71097 hours remaining, 241.117188 MB of memory in use. ENERGY: 3054200 3960.6226 20637.5958 14437.6478 237.9909 -203363.4736 2537.6139 0.0000 0.0000 52054.6396 -109497.3631 299.1587 -161552.0026 -109144.2834 299.8430 27.1872 54.9955 761901.2833 -6.2844 -6.3067 PRESSURE: 3054400 -156.42 -175.589 78.2175 -175.59 43.7742 -265.278 78.217 -265.279 -485.098 GPRESSURE: 3054400 -162.866 -176.921 12.4338 -113.894 117.623 -286.854 116.848 -329.685 -468.056 PRESSAVG: 3054400 -12.8088 -39.9054 35.4071 -39.9053 1.93392 -57.0815 35.407 -57.0816 10.0461 GPRESSAVG: 3054400 -14.3078 -40.8853 35.6277 -40.4808 2.79289 -57.437 32.442 -56.8418 10.4716 TIMING: 3054400 CPU: 9715.75, 0.00319851/step Wall: 9715.75, 0.00319851/step, 1.72862 hours remaining, 241.117188 MB of memory in use. ENERGY: 3054400 3986.0458 20571.3943 14461.6632 237.5240 -203280.5131 2283.4039 0.0000 0.0000 52115.1861 -109625.2957 299.5067 -161740.4818 -109251.1908 299.0454 -199.2481 -171.0995 760506.1683 -0.2763 -0.3478 PRESSURE: 3054600 39.2216 -144.057 -141.866 -144.057 -53.7799 108.377 -141.865 108.378 195.307 GPRESSURE: 3054600 5.37513 -94.4166 -157.811 -206.916 79.6579 166.086 -181.985 107.427 173.961 PRESSAVG: 3054600 -10.0161 -0.0123738 -17.1161 -0.012443 -6.23538 30.589 -17.1161 30.5888 -1.02492 GPRESSAVG: 3054600 -10.2163 -1.3687 -17.3122 -0.297385 -5.94655 31.2471 -16.3153 30.9676 -1.16314 TIMING: 3054600 CPU: 9716.39, 0.00317365/step Wall: 9716.39, 0.00317365/step, 1.715 hours remaining, 241.117188 MB of memory in use. ENERGY: 3054600 4053.5753 20646.5728 14467.8455 248.8074 -203485.6630 2480.2129 0.0000 0.0000 51925.1953 -109663.4538 298.4148 -161588.6490 -109304.7153 299.3623 60.2494 86.3312 759800.0628 -5.7588 -5.7753 PRESSURE: 3054800 236.192 -115.082 -230.153 -115.082 -147.676 -39.9519 -230.151 -39.9526 -278.936 GPRESSURE: 3054800 186.401 -110.637 -195.256 -77.8631 -11.687 -63.5859 -138.382 -59.7821 -271.77 PRESSAVG: 3054800 -25.5391 1.86898 -32.6161 1.86892 10.8038 -27.2228 -32.616 -27.2228 25.0901 GPRESSAVG: 3054800 -24.387 2.31628 -33.0318 2.33504 11.181 -28.7437 -30.731 -28.4104 23.9472 TIMING: 3054800 CPU: 9717.02, 0.00317878/step Wall: 9717.02, 0.00317878/step, 1.7176 hours remaining, 241.117188 MB of memory in use. ENERGY: 3054800 3969.8162 20425.2580 14491.7290 235.9095 -203145.5419 2385.4222 0.0000 0.0000 51909.6332 -109727.7738 298.3254 -161637.4070 -109353.1477 299.1614 -63.4731 -32.3520 761121.7161 3.4516 3.5804 PRESSURE: 3055000 -398.196 277.633 -11.5168 277.633 -20.501 -130.203 -11.5169 -130.203 -517.497 GPRESSURE: 3055000 -364.829 258 -65.4204 296.398 -59.8477 -174.37 39.9612 42.6564 -395.726 PRESSAVG: 3055000 10.089 -52.0029 -28.2401 -52.0029 -6.02211 47.3678 -28.2401 47.3677 -0.680694 GPRESSAVG: 3055000 9.3675 -50.5973 -29.4227 -52.6145 -7.10533 47.3373 -26.5454 47.6174 0.609505 TIMING: 3055000 CPU: 9717.66, 0.00317961/step Wall: 9717.66, 0.00317961/step, 1.71788 hours remaining, 241.117188 MB of memory in use. ENERGY: 3055000 3945.7258 20454.1308 14469.1762 258.9373 -203491.7440 2462.3348 0.0000 0.0000 52146.3567 -109755.0824 299.6858 -161901.4391 -109393.6887 298.9521 -312.0648 -273.4678 760591.4733 1.1287 0.9572 PRESSURE: 3055200 77.449 -264.726 166.095 -264.725 63.4614 -47.8974 166.095 -47.8978 -223.107 GPRESSURE: 3055200 201.674 -343.135 129.399 -162.471 59.0984 -113.884 192.083 -58.4038 -246.039 PRESSAVG: 3055200 57.2128 -11.6771 -5.3008 -11.677 -15.7396 37.3872 -5.30078 37.3872 -4.76997 GPRESSAVG: 3055200 57.8892 -12.3022 -2.80146 -10.2721 -16.0016 38.8979 -6.13338 37.715 -5.49119 TIMING: 3055200 CPU: 9718.29, 0.00316713/step Wall: 9718.29, 0.00316713/step, 1.71096 hours remaining, 241.117188 MB of memory in use. ENERGY: 3055200 3997.1148 20400.7802 14472.4076 253.8626 -203277.9106 2381.5197 0.0000 0.0000 52073.8220 -109698.4038 299.2690 -161772.2257 -109336.8634 299.1286 -27.3990 4.9110 758967.1453 12.2344 12.1321 PRESSURE: 3055400 -189.065 -163.027 114.357 -163.028 47.5774 -12.2791 114.357 -12.2796 -304.078 GPRESSURE: 3055400 -202.111 -192.327 -1.36429 -138.434 59.7594 -64.575 124.915 -138.287 -224.645 PRESSAVG: 3055400 48.4041 -1.70451 -13.2477 -1.70455 -40.106 20.4756 -13.2477 20.4756 -4.94352 GPRESSAVG: 3055400 47.8372 0.565172 -14.5666 -2.28974 -39.8641 19.9979 -15.0834 19.5611 -5.05639 TIMING: 3055400 CPU: 9718.93, 0.00321977/step Wall: 9718.93, 0.00321977/step, 1.73921 hours remaining, 241.117188 MB of memory in use. ENERGY: 3055400 4001.1778 20451.9278 14489.7858 259.3544 -203097.3754 2200.2939 0.0000 0.0000 52099.0550 -109595.7807 299.4140 -161694.8357 -109237.5053 299.1778 -148.5220 -122.3323 759179.3965 1.1182 0.9722 PRESSURE: 3055600 304.716 27.1815 -152.537 27.1818 -32.311 -33.2938 -152.536 -33.2941 -331.581 GPRESSURE: 3055600 267.64 11.7842 -112.965 -14.0157 -16.8029 -60.9746 -145.234 5.58289 -226.974 PRESSAVG: 3055600 60.542 -43.5696 -39.7067 -43.5696 -70.9238 59.5557 -39.7067 59.5556 6.16285 GPRESSAVG: 3055600 59.3383 -45.3906 -37.9381 -44.8243 -69.8066 59.9613 -39.4612 59.8329 6.08682 TIMING: 3055600 CPU: 9719.58, 0.00320308/step Wall: 9719.58, 0.00320308/step, 1.73002 hours remaining, 241.117188 MB of memory in use. ENERGY: 3055600 4001.1475 20412.4194 14532.9226 237.4524 -203554.8007 2543.4743 0.0000 0.0000 52148.5435 -109678.8410 299.6984 -161827.3845 -109305.3201 299.1639 -19.7253 7.9543 760978.8207 -1.4063 -1.4605 PRESSURE: 3055800 275.795 131.261 227.312 131.261 -0.227901 -25.6117 227.312 -25.6119 -202.511 GPRESSURE: 3055800 348.787 180.957 279.4 101.219 -4.03793 -65.1705 202.245 63.9285 -167.095 PRESSAVG: 3055800 58.222 -76.8728 -1.23812 -76.8728 -43.6088 37.6045 -1.23812 37.6045 -12.515 GPRESSAVG: 3055800 59.2767 -75.7792 -2.43054 -74.656 -43.7788 36.9269 0.0737534 41.0319 -13.3948 TIMING: 3055800 CPU: 9720.22, 0.00322296/step Wall: 9720.22, 0.00322296/step, 1.74058 hours remaining, 241.117188 MB of memory in use. ENERGY: 3055800 4009.1753 20402.4035 14506.3163 234.1855 -203770.9097 2824.7070 0.0000 0.0000 52319.4102 -109474.7119 300.6804 -161794.1222 -109114.4029 299.2188 24.3522 59.2180 759866.5719 0.6994 0.7010 PRESSURE: 3056000 -137.683 216.676 -203.513 216.675 -261.248 -66.472 -203.514 -66.4708 196.882 GPRESSURE: 3056000 -201.619 148.111 -236.874 128.065 -131.55 -133.477 -183.723 -91.7127 205.56 PRESSAVG: 3056000 32.1254 -2.86824 -17.2844 -2.86826 12.8397 29.7696 -17.2844 29.7697 2.12187 GPRESSAVG: 3056000 31.6828 -4.70876 -15.5542 -5.27104 12.6472 29.3716 -18.0386 26.3073 2.74306 TIMING: 3056000 CPU: 9720.86, 0.00320772/step Wall: 9720.86, 0.00320772/step, 1.73217 hours remaining, 241.117188 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: 3056000 3959.9317 20543.8101 14496.2266 227.6969 -203022.4901 2169.0216 0.0000 0.0000 51970.0080 -109655.7952 298.6724 -161625.8032 -109280.9750 299.9175 -67.3497 -42.5362 760514.6637 15.6957 15.6910 PRESSURE: 3056200 47.0807 -146.881 51.4477 -146.88 -123.454 -11.8786 51.448 -11.879 60.6557 GPRESSURE: 3056200 111.17 -11.8303 98.1339 -83.5087 -54.1173 -72.9331 83.6512 -108.138 27.1665 PRESSAVG: 3056200 41.114 -39.4916 -17.9552 -39.4916 -52.8669 28.9943 -17.9551 28.9943 -10.3853 GPRESSAVG: 3056200 41.793 -36.2762 -20.0231 -40.7404 -53.2255 30.0043 -18.6394 27.9471 -10.232 TIMING: 3056200 CPU: 9721.51, 0.00324853/step Wall: 9721.51, 0.00324853/step, 1.75403 hours remaining, 241.117188 MB of memory in use. ENERGY: 3056200 4069.9107 20432.5071 14396.2112 245.4085 -202923.0321 2220.3529 0.0000 0.0000 51901.2051 -109657.4366 298.2769 -161558.6417 -109295.7475 299.2551 -5.2393 28.0730 761093.7485 -7.3794 -7.2215 LDB: ============= START OF LOAD BALANCING ============== 9733.97 LDB: ============== END OF LOAD BALANCING =============== 9733.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9733.97 LDB: ============= START OF LOAD BALANCING ============== 9734.29 LDB: Largest compute 7034 load 0.037271 is 19.1% of average load 0.195229 LDB: Average compute 0.004385 is 2.2% of average load 0.195229 LDB: TIME 9734.3 LOAD: AVG 0.195229 MAX 0.21673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 9734.3 LOAD: AVG 0.195229 MAX 0.21673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: TIME 9734.3 LOAD: AVG 0.195229 MAX 0.21673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.633 MB LDB: ============== END OF LOAD BALANCING =============== 9734.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9734.3 PRESSURE: 3056400 60.63 66.5367 -25.9807 66.5371 98.0696 -40.4762 -25.981 -40.4773 38.2208 GPRESSURE: 3056400 35.4058 85.043 -28.1496 58.7564 199.558 41.5518 51.9347 -67.2876 55.04 PRESSAVG: 3056400 83.0835 -53.6531 -2.53474 -53.6531 -68.8238 89.4012 -2.5347 89.4012 -6.583 GPRESSAVG: 3056400 83.226 -54.5203 -2.43223 -49.8418 -67.9582 89.322 0.553436 89.1169 -7.28831 TIMING: 3056400 CPU: 9722.17, 0.00328526/step Wall: 9722.17, 0.00328526/step, 1.77367 hours remaining, 241.175781 MB of memory in use. ENERGY: 3056400 4026.4252 20509.3879 14538.2712 250.9605 -203433.2502 2369.3822 0.0000 0.0000 52088.6744 -109650.1486 299.3543 -161738.8230 -109288.9922 299.1074 65.6401 96.6680 759606.4078 2.5589 2.6599 PRESSURE: 3056600 105.856 -145.612 -56.9186 -145.612 -204.387 188.862 -56.9186 188.862 -57.4886 GPRESSURE: 3056600 96.5081 -92.7584 -98.5299 -206.149 -72.1706 130.48 69.9844 199.293 -78.0942 PRESSAVG: 3056600 19.7705 -5.94656 43.0568 -5.94662 -34.5222 70.9956 43.0569 70.9956 -20.536 GPRESSAVG: 3056600 17.8576 -4.49891 42.7724 -8.80179 -34.0368 71.4942 42.7699 72.4738 -19.3759 TIMING: 3056600 CPU: 9722.81, 0.00321803/step Wall: 9722.81, 0.00321803/step, 1.7372 hours remaining, 241.175781 MB of memory in use. ENERGY: 3056600 3996.5271 20490.6775 14518.9400 239.0195 -203617.2153 2658.8497 0.0000 0.0000 52167.7340 -109545.4675 299.8087 -161713.2015 -109177.0135 299.3726 -52.0067 -17.9189 758093.0474 -11.7626 -11.8517 PRESSURE: 3056800 -398.325 -10.2463 150.943 -10.2461 90.8416 422.614 150.943 422.615 82.1928 GPRESSURE: 3056800 -288.254 -4.88347 137.045 74.6593 65.5688 373.014 70.9683 194.26 62.7227 PRESSAVG: 3056800 -0.950672 -91.9444 -14.3515 -91.9444 -40.3209 0.9562 -14.3515 0.956324 -2.71971 GPRESSAVG: 3056800 1.23333 -93.9253 -14.1515 -90.1319 -41.2954 -0.220681 -17.1954 -0.0369014 -3.42934 TIMING: 3056800 CPU: 9723.46, 0.00321716/step Wall: 9723.46, 0.00321716/step, 1.73655 hours remaining, 241.175781 MB of memory in use. ENERGY: 3056800 3961.5420 20391.7093 14458.6993 243.3344 -203337.2854 2421.4583 0.0000 0.0000 52271.0602 -109589.4819 300.4025 -161860.5422 -109216.6023 299.2442 -75.0967 -53.3207 759793.8194 -14.6638 -14.4971 PRESSURE: 3057000 -98.9307 37.5718 -24.1464 37.5721 -134.734 0.26264 -24.1461 0.261456 -10.2206 GPRESSURE: 3057000 -81.6083 -22.904 9.68083 -115.281 -89.7622 7.46655 -43.5964 118.217 17.082 PRESSAVG: 3057000 7.56037 -59.1759 9.54003 -59.1758 -1.14524 6.28363 9.54006 6.28358 19.8348 GPRESSAVG: 3057000 6.785 -59.9688 7.2934 -60.2139 -0.659 6.72288 12.5034 7.92892 20.1664 TIMING: 3057000 CPU: 9724.1, 0.00320331/step Wall: 9724.1, 0.00320331/step, 1.7289 hours remaining, 241.175781 MB of memory in use. ENERGY: 3057000 3974.7139 20500.2535 14486.6497 234.3608 -203022.3056 2442.9283 0.0000 0.0000 51747.6220 -109635.7773 297.3943 -161383.3994 -109277.9781 299.0575 -81.2951 -51.4295 759535.9253 8.7500 8.7641 PRESSURE: 3057200 -295.093 -24.6906 149.119 -24.6909 23.7712 37.8107 149.12 37.8102 -123.79 GPRESSURE: 3057200 -352.728 -36.1896 143.562 -108.638 78.7556 72.3014 53.8681 -47.9289 -66.943 PRESSAVG: 3057200 -8.37031 -22.5476 -11.7421 -22.5476 -9.64938 38.1315 -11.742 38.1315 5.87214 GPRESSAVG: 3057200 -8.6119 -21.4306 -10.8025 -23.504 -8.57404 37.9769 -12.1217 36.5449 4.70965 TIMING: 3057200 CPU: 9724.74, 0.00320305/step Wall: 9724.74, 0.00320305/step, 1.72858 hours remaining, 241.175781 MB of memory in use. ENERGY: 3057200 4032.3217 20678.9653 14363.1876 240.4169 -203086.0454 2237.5636 0.0000 0.0000 51878.8136 -109654.7766 298.1483 -161533.5902 -109278.9842 299.1697 -131.7037 -113.6385 760670.1605 -4.0492 -4.1588 PRESSURE: 3057400 207.918 -223.267 82.9971 -223.266 186.978 1.81351 82.9969 1.81457 353.184 GPRESSURE: 3057400 291.562 -180.287 -38.2259 -179.349 148.387 88.6879 -107.161 79.6781 382.609 PRESSAVG: 3057400 -42.2585 -32.8321 -31.2155 -32.832 32.019 51.8826 -31.2154 51.8826 23.875 GPRESSAVG: 3057400 -42.0961 -34.2293 -31.3684 -31.9261 30.2061 51.6637 -32.3191 51.5828 25.7141 TIMING: 3057400 CPU: 9725.37, 0.0031773/step Wall: 9725.37, 0.0031773/step, 1.71451 hours remaining, 241.175781 MB of memory in use. ENERGY: 3057400 3917.6073 20343.4441 14396.5583 239.1748 -203445.2514 2821.0362 0.0000 0.0000 51903.4155 -109824.0152 298.2896 -161727.4307 -109460.4883 298.6299 249.3599 274.1860 759834.2141 4.5452 4.6080 PRESSURE: 3057600 68.1682 70.2296 -171.933 70.2303 90.7784 -0.451433 -171.933 -0.451758 190.353 GPRESSURE: 3057600 107.795 159.243 -141.768 34.6013 139.54 -3.296 -192.892 29.28 188.638 PRESSAVG: 3057600 21.9177 -19.7301 -31.976 -19.7301 -10.6897 31.3727 -31.9759 31.3727 14.5914 GPRESSAVG: 3057600 22.1561 -18.8342 -29.5684 -17.4449 -10.7384 30.8075 -32.4375 31.7447 15.1568 TIMING: 3057600 CPU: 9726.01, 0.00317953/step Wall: 9726.01, 0.00317953/step, 1.71553 hours remaining, 241.175781 MB of memory in use. ENERGY: 3057600 3943.6821 20287.1684 14480.0062 262.3398 -203630.9107 2609.3912 0.0000 0.0000 52278.9857 -109769.3373 300.4480 -162048.3230 -109410.8930 298.6071 116.4331 145.3243 759712.0748 8.6065 8.8582 PRESSURE: 3057800 -53.254 -20.2111 78.1895 -20.2109 302.15 -58.4476 78.19 -58.4489 337.427 GPRESSURE: 3057800 -34.6772 60.1498 105.011 -38.7684 338.322 -43.4283 60.81 -43.1599 359.959 PRESSAVG: 3057800 9.77856 -12.3866 -8.3591 -12.3866 -43.3758 3.465 -8.35911 3.46501 35.0932 GPRESSAVG: 3057800 9.6003 -13.4555 -7.81763 -13.3554 -41.7591 4.39567 -8.61449 1.78134 33.4727 TIMING: 3057800 CPU: 9726.65, 0.00318849/step Wall: 9726.65, 0.00318849/step, 1.72019 hours remaining, 241.175781 MB of memory in use. ENERGY: 3057800 3973.0267 20481.5022 14473.8541 241.6176 -203499.2863 2659.9462 0.0000 0.0000 51991.9758 -109677.3638 298.7986 -161669.3395 -109326.7237 299.1423 195.4410 221.2013 759294.2670 0.4986 0.4380 PRESSURE: 3058000 68.9489 -133.359 -180.173 -133.359 51.2317 140.347 -180.174 140.349 -63.3505 GPRESSURE: 3058000 197.651 -145.086 -225.171 -174.827 16.3388 145.66 -6.48939 232.644 -67.9678 PRESSAVG: 3058000 14.0056 -29.1877 33.0597 -29.1877 14.9736 32.9113 33.0598 32.9112 5.852 GPRESSAVG: 3058000 14.0832 -28.2812 32.8593 -32.3736 13.4222 31.4903 33.6371 33.9263 7.21839 TIMING: 3058000 CPU: 9727.29, 0.003211/step Wall: 9727.29, 0.003211/step, 1.73216 hours remaining, 241.175781 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: 3058000 3939.1900 20453.9185 14449.2349 242.7438 -203250.0470 2505.6130 0.0000 0.0000 52008.3489 -109650.9980 298.8927 -161659.3469 -109287.2079 298.5383 18.9434 48.6739 762318.7854 11.6104 11.5746 PRESSURE: 3058200 -22.6085 -50.3234 187.664 -50.3234 67.8629 116.203 187.664 116.204 -438.673 GPRESSURE: 3058200 27.2833 -30.4975 109.627 -146.323 68.2246 68.3209 198.621 146.437 -416.236 PRESSAVG: 3058200 0.725565 17.9026 -4.0467 17.9026 20.7263 2.80367 -4.04668 2.8036 7.65534 GPRESSAVG: 3058200 1.01359 17.854 -4.17115 20.6757 20.8843 2.96037 -6.27612 4.57727 6.92835 TIMING: 3058200 CPU: 9727.93, 0.00321688/step Wall: 9727.93, 0.00321688/step, 1.73515 hours remaining, 241.175781 MB of memory in use. ENERGY: 3058200 4071.6944 20441.9714 14460.8470 238.7923 -203358.6793 2401.2485 0.0000 0.0000 52280.7136 -109463.4121 300.4580 -161744.1257 -109103.0657 299.1107 -131.1394 -106.9092 761262.8053 9.7024 9.6088 PRESSURE: 3058400 116.801 82.1023 -61.4844 82.1018 -162.793 -109.263 -61.4845 -109.261 184.002 GPRESSURE: 3058400 277.504 101.641 -23.2657 -32.9122 -204.057 -103.699 -80.9597 -93.9096 164.36 PRESSAVG: 3058400 -18.4202 -7.30223 35.4349 -7.30215 -3.48605 7.84937 35.4349 7.84937 -15.489 GPRESSAVG: 3058400 -17.0571 -6.48943 34.925 -8.63607 -3.95892 6.75428 37.2993 6.31077 -16.217 TIMING: 3058400 CPU: 9728.57, 0.00318143/step Wall: 9728.57, 0.00318143/step, 1.71585 hours remaining, 241.175781 MB of memory in use. ENERGY: 3058400 3941.1454 20450.6537 14490.6794 264.8057 -203227.4111 2367.6977 0.0000 0.0000 51961.1639 -109751.2653 298.6215 -161712.4292 -109387.2901 298.9038 46.0032 79.2689 761045.8451 -12.4651 -12.4110 PRESSURE: 3058600 90.8377 40.833 -52.8668 40.8328 27.2351 81.6759 -52.8659 81.6765 34.5918 GPRESSURE: 3058600 192.299 5.22065 49.8815 55.773 -61.7967 102.248 -10.7614 93.0493 96.2093 PRESSAVG: 3058600 27.6118 -50.1277 -26.4358 -50.1276 -49.7946 -39.3763 -26.4357 -39.3763 -43.0597 GPRESSAVG: 3058600 26.1518 -50.5901 -27.3784 -50.708 -48.994 -36.4471 -24.969 -39.8069 -42.3605 TIMING: 3058600 CPU: 9729.21, 0.0031875/step Wall: 9729.21, 0.0031875/step, 1.71895 hours remaining, 241.175781 MB of memory in use. ENERGY: 3058600 3906.0468 20390.7377 14428.7995 259.9714 -203111.1630 2234.0631 0.0000 0.0000 52042.6516 -109848.8930 299.0898 -161891.5445 -109488.3456 298.4753 50.8882 75.5704 760729.3244 -21.7475 -21.7342 PRESSURE: 3058800 244.308 78.0959 397.309 78.0957 -140.091 45.8949 397.311 45.8952 -175.218 GPRESSURE: 3058800 275.296 143.197 321.949 119.361 -90.0927 99.6266 359.66 54.9992 -178.863 PRESSAVG: 3058800 -0.346484 -7.06779 -21.6473 -7.06773 9.26053 33.6544 -21.6473 33.6543 -24.9309 GPRESSAVG: 3058800 -1.22075 -7.62438 -20.7448 -5.64788 9.15788 32.6115 -24.321 33.3406 -23.7541 TIMING: 3058800 CPU: 9729.84, 0.00318896/step Wall: 9729.84, 0.00318896/step, 1.71956 hours remaining, 241.175781 MB of memory in use. ENERGY: 3058800 3974.1584 20462.8460 14529.4422 258.9072 -203407.7129 2252.9058 0.0000 0.0000 52118.9435 -109810.5099 299.5283 -161929.4533 -109440.6950 298.9371 -23.6672 2.1135 759820.0866 -5.3390 -5.2723 PRESSURE: 3059000 378.519 -214.053 144.108 -214.053 -29.5298 -48.0292 144.108 -48.0295 387.975 GPRESSURE: 3059000 359.785 -134.82 153.311 -180.169 21.1667 3.44472 149.377 -97.6573 457.257 PRESSAVG: 3059000 10.8585 20.222 27.4499 20.222 -10.891 22.2079 27.4498 22.2079 -14.1432 GPRESSAVG: 3059000 11.498 18.5625 28.9701 20.7873 -10.6477 22.4159 27.5521 21.2598 -14.7367 TIMING: 3059000 CPU: 9730.48, 0.00317864/step Wall: 9730.48, 0.00317864/step, 1.71382 hours remaining, 241.175781 MB of memory in use. ENERGY: 3059000 3960.9407 20484.7480 14451.2714 243.6731 -203271.0522 2378.5945 0.0000 0.0000 52030.6855 -109721.1388 299.0211 -161751.8244 -109368.4703 299.1321 245.6546 279.4027 757411.7654 -4.7252 -4.6288 PRESSURE: 3059200 33.6818 98.383 -18.2704 98.3828 93.799 -193.381 -18.2696 -193.381 -36.8025 GPRESSURE: 3059200 92.4689 115.223 81.0173 51.7981 176.656 -214.644 -56.0267 -42.7779 -75.7646 PRESSAVG: 3059200 3.64109 11.0729 24.3898 11.0729 39.6885 53.0677 24.3897 53.0676 21.4194 GPRESSAVG: 3059200 4.20868 11.6101 23.1556 12.1424 40.2947 52.5501 23.9427 55.473 19.9414 TIMING: 3059200 CPU: 9731.11, 0.00316215/step Wall: 9731.11, 0.00316215/step, 1.70475 hours remaining, 241.175781 MB of memory in use. ENERGY: 3059200 3952.5154 20331.2296 14434.7763 253.4178 -203057.7202 2307.0991 0.0000 0.0000 52162.1233 -109616.5587 299.7764 -161778.6820 -109250.1895 299.5643 30.2261 64.4535 759370.4580 21.5830 21.4816 PRESSURE: 3059400 -229.6 -177.662 -71.934 -177.662 -94.869 121.934 -71.9334 121.933 -52.2441 GPRESSURE: 3059400 -196.801 -188.03 -6.51938 -101.186 -50.9639 70.8426 31.132 195.125 -34.5548 PRESSAVG: 3059400 -28.7387 -20.1157 81.5829 -20.1157 22.1861 -15.5058 81.5829 -15.5058 3.77917 GPRESSAVG: 3059400 -28.3299 -19.0782 82.7451 -22.2447 20.426 -14.4983 82.3893 -15.6263 4.93515 TIMING: 3059400 CPU: 9731.76, 0.00322539/step Wall: 9731.76, 0.00322539/step, 1.73866 hours remaining, 241.175781 MB of memory in use. ENERGY: 3059400 4034.4902 20545.3146 14463.0145 226.6813 -203283.6273 2331.5720 0.0000 0.0000 52055.5412 -109627.0135 299.1639 -161682.5548 -109252.8034 299.2211 -125.5709 -94.1066 760936.6844 -0.9245 -0.9896 PRESSURE: 3059600 194.966 -56.3734 -37.8689 -56.3722 -66.4396 0.50593 -37.8693 0.505811 335.454 GPRESSURE: 3059600 148.036 -59.9054 -4.64589 -179.553 -25.0952 -112.791 70.6508 -20.3683 425.827 PRESSAVG: 3059600 34.6559 23.8928 -0.522028 23.8928 -0.702437 14.9309 -0.52204 14.9309 11.1416 GPRESSAVG: 3059600 34.2614 24.7949 -1.54101 22.8331 0.301664 14.7472 0.263385 15.2278 10.5267 TIMING: 3059600 CPU: 9732.39, 0.00316857/step Wall: 9732.39, 0.00316857/step, 1.70786 hours remaining, 241.175781 MB of memory in use. ENERGY: 3059600 4023.4681 20477.5096 14505.4040 267.6576 -203336.2904 2193.4716 0.0000 0.0000 52330.3253 -109538.4542 300.7431 -161868.7795 -109172.1108 299.4481 154.6603 182.9227 761201.3381 15.0317 15.0299 PRESSURE: 3059800 -22.6458 -159.306 216.727 -159.306 -122.693 264.78 216.727 264.78 199.011 GPRESSURE: 3059800 133.433 -125.669 170.349 -101.272 -131.864 314.397 130.159 328.834 142.226 PRESSAVG: 3059800 -1.73262 -23.654 -20.9219 -23.654 -3.89443 33.2236 -20.922 33.2236 11.1462 GPRESSAVG: 3059800 -0.829398 -24.6542 -22.0924 -23.7115 -4.8885 34.7486 -20.9592 33.0579 11.7282 TIMING: 3059800 CPU: 9733.03, 0.00319359/step Wall: 9733.03, 0.00319359/step, 1.72117 hours remaining, 241.175781 MB of memory in use. ENERGY: 3059800 4020.0116 20630.7440 14458.7795 264.8840 -203437.1449 2393.3191 0.0000 0.0000 52105.1984 -109564.2083 299.4493 -161669.4067 -109195.8070 299.5769 17.8906 47.9318 758436.4011 1.8397 2.0034 PRESSURE: 3060000 214.49 -103.043 -75.782 -103.043 -146.638 -30.1509 -75.7831 -30.1509 -111.278 GPRESSURE: 3060000 264.025 -74.8782 -221.785 -90.1414 -181.133 -44.3636 -12.8188 -177.475 -32.665 PRESSAVG: 3060000 69.8187 55.8014 -11.7032 55.8013 -36.1235 -22.702 -11.7032 -22.7021 13.4458 GPRESSAVG: 3060000 68.3197 55.419 -11.9567 56.9463 -33.9384 -25.9705 -10.9409 -22.5116 13.5212 TIMING: 3060000 CPU: 9733.67, 0.00318814/step Wall: 9733.67, 0.00318814/step, 1.71805 hours remaining, 241.175781 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: 3060000 4000.6792 20551.4970 14424.6590 243.3856 -203155.6090 2266.1327 0.0000 0.0000 52004.8020 -109664.4536 298.8723 -161669.2555 -109293.9640 299.5466 -14.4754 16.7426 760373.8242 15.7137 15.9675 PRESSURE: 3060200 100.917 4.15494 -192.52 4.15475 -333.966 -118.23 -192.52 -118.229 -61.4099 GPRESSURE: 3060200 84.0738 -105.922 -225.506 44.4384 -231.739 -82.4778 -174.801 59.5791 -37.5509 PRESSAVG: 3060200 -11.1884 52.1539 3.16487 52.1539 -19.5698 -0.119421 3.16486 -0.119372 -0.849323 GPRESSAVG: 3060200 -10.7803 52.2209 5.34445 53.8587 -20.7672 1.93451 0.0491725 0.0693365 0.417763 TIMING: 3060200 CPU: 9734.31, 0.00320387/step Wall: 9734.31, 0.00320387/step, 1.72635 hours remaining, 241.175781 MB of memory in use. ENERGY: 3060200 4039.3182 20506.2458 14425.4802 275.0575 -203570.7303 2601.4969 0.0000 0.0000 52066.8388 -109656.2930 299.2288 -161723.1318 -109298.7839 298.3702 -98.1531 -61.7387 760576.7474 -10.5358 -10.3766 LDB: ============= START OF LOAD BALANCING ============== 9746.76 LDB: ============== END OF LOAD BALANCING =============== 9746.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9746.76 LDB: ============= START OF LOAD BALANCING ============== 9747.08 LDB: Largest compute 7034 load 0.037163 is 19.0% of average load 0.195343 LDB: Average compute 0.004396 is 2.3% of average load 0.195343 LDB: TIME 9747.09 LOAD: AVG 0.195343 MAX 0.216158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 9747.09 LOAD: AVG 0.195343 MAX 0.216158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.41 MB LDB: TIME 9747.09 LOAD: AVG 0.195343 MAX 0.216158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.41 MB LDB: ============== END OF LOAD BALANCING =============== 9747.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9747.09 PRESSURE: 3060400 68.108 86.7529 -60.5041 86.7528 40.494 -68.2534 -60.5046 -68.2539 -74.0987 GPRESSURE: 3060400 94.4972 86.749 7.68924 -26.0684 100.834 2.01098 -88.1868 2.8675 -79.9018 PRESSAVG: 3060400 37.9234 29.5073 22.0501 29.5074 -58.7367 -17.9838 22.05 -17.9837 4.199 GPRESSAVG: 3060400 39.0488 28.4805 21.3051 26.977 -58.8022 -17.7281 23.9555 -17.3003 3.34878 TIMING: 3060400 CPU: 9734.96, 0.00325738/step Wall: 9734.96, 0.00325738/step, 1.755 hours remaining, 240.867188 MB of memory in use. ENERGY: 3060400 3987.8819 20615.9412 14462.4039 255.0483 -203214.3472 2073.8967 0.0000 0.0000 52025.6587 -109793.5165 298.9922 -161819.1753 -109429.8309 298.8219 11.5011 38.4764 759936.9025 -5.5381 -5.4682 PRESSURE: 3060600 127.473 -186.002 -84.2935 -186.003 -32.9412 103.823 -84.2934 103.823 -426.966 GPRESSURE: 3060600 71.9961 -196.28 -182.208 -273.005 48.3086 143.457 -23.0403 17.1204 -377.478 PRESSAVG: 3060600 58.2748 -15.3517 16.2237 -15.3517 -20.2417 42.2412 16.2237 42.2412 -8.07459 GPRESSAVG: 3060600 57.4602 -13.2304 14.1755 -15.4826 -20.0887 41.6046 14.8311 41.4029 -7.60793 TIMING: 3060600 CPU: 9735.6, 0.003204/step Wall: 9735.6, 0.003204/step, 1.72606 hours remaining, 241.070312 MB of memory in use. ENERGY: 3060600 4065.3489 20304.5549 14444.6060 241.8148 -203218.2666 2122.3412 0.0000 0.0000 52226.3513 -109813.2495 300.1456 -162039.6008 -109442.8268 299.0464 -110.8114 -85.7244 760907.9078 9.9862 9.9212 PRESSURE: 3060800 -135.508 -81.7234 220.755 -81.7239 409.225 -18.1748 220.755 -18.1758 115.142 GPRESSURE: 3060800 -51.5647 49.4308 259.356 -5.59099 381.148 -20.3513 346.266 -23.3091 137.454 PRESSAVG: 3060800 42.1167 -12.5414 28.3041 -12.5414 -24.9654 13.5234 28.304 13.5234 4.77135 GPRESSAVG: 3060800 41.7285 -12.0647 30.0155 -10.8858 -24.1259 11.7045 29.3872 13.7369 4.34754 TIMING: 3060800 CPU: 9736.23, 0.00314471/step Wall: 9736.23, 0.00314471/step, 1.69395 hours remaining, 241.070312 MB of memory in use. ENERGY: 3060800 3967.5946 20558.5552 14472.9946 233.7759 -203623.2586 2563.3367 0.0000 0.0000 52007.0170 -109819.9845 298.8850 -161827.0016 -109464.7111 298.6434 129.6198 155.6793 758939.0825 7.3076 7.3167 PRESSURE: 3061000 237.167 -18.739 -19.3807 -18.738 322.694 -17.9422 -19.3816 -17.9435 360.206 GPRESSURE: 3061000 304.611 14.8152 -7.96946 9.78751 342.579 4.0619 -126.812 -120.975 362.332 PRESSAVG: 3061000 17.8184 -17.8254 12.6731 -17.8255 -1.33928 48.1558 12.6731 48.1558 -33.2158 GPRESSAVG: 3061000 17.5248 -19.1971 11.6867 -18.7225 -2.83064 49.3693 12.8338 45.7356 -31.545 TIMING: 3061000 CPU: 9736.86, 0.00315975/step Wall: 9736.86, 0.00315975/step, 1.70187 hours remaining, 241.070312 MB of memory in use. ENERGY: 3061000 3965.9812 20461.1401 14488.7490 243.2482 -203582.8224 2768.7122 0.0000 0.0000 51975.5898 -109679.4019 298.7044 -161654.9917 -109323.3067 298.7717 306.6888 336.5074 760920.1316 -5.5789 -5.6169 PRESSURE: 3061200 -122.836 -63.458 -18.3621 -63.4582 228.89 133.216 -18.3624 133.216 90.1561 GPRESSURE: 3061200 -51.4198 32.3789 -30.8847 29.185 170.961 194.638 -37.2317 136.883 161.212 PRESSAVG: 3061200 -7.03447 -1.63786 -23.1823 -1.6379 -20.7303 16.2252 -23.1823 16.2252 6.86615 GPRESSAVG: 3061200 -7.70378 -1.6281 -22.8806 0.857637 -19.6979 17.4847 -23.5121 17.1418 5.99546 TIMING: 3061200 CPU: 9737.49, 0.00317096/step Wall: 9737.49, 0.00317096/step, 1.70774 hours remaining, 241.070312 MB of memory in use. ENERGY: 3061200 3952.7847 20545.8452 14442.0416 236.8511 -203438.9735 2573.0581 0.0000 0.0000 51949.3501 -109739.0428 298.5536 -161688.3929 -109374.6189 298.1969 65.4034 93.5842 760840.8056 -6.9662 -7.1354 PRESSURE: 3061400 -162.098 -306.252 -314.31 -306.252 207.338 -89.1781 -314.31 -89.1778 32.8906 GPRESSURE: 3061400 -87.7569 -318.124 -376.755 -161.156 206.622 -111.293 -198.926 58.8452 37.3769 PRESSAVG: 3061400 13.7973 -1.74829 -74.2047 -1.7483 -11.9379 0.794019 -74.2048 0.794051 0.0608399 GPRESSAVG: 3061400 15.3498 -0.504561 -73.0149 -4.63639 -12.6563 0.0113868 -75.6645 3.10633 -0.408072 TIMING: 3061400 CPU: 9738.13, 0.00319031/step Wall: 9738.13, 0.00319031/step, 1.71798 hours remaining, 241.070312 MB of memory in use. ENERGY: 3061400 4062.8631 20631.4440 14560.2305 260.8514 -203425.1694 2506.4016 0.0000 0.0000 51887.2909 -109516.0879 298.1970 -161403.3788 -109160.4005 299.1616 26.0436 52.0806 760566.8196 0.6401 0.7618 PRESSURE: 3061600 -303.331 -197.23 -196.453 -197.23 -56.1362 186.512 -196.454 186.511 -301.014 GPRESSURE: 3061600 -298.815 -144.959 -199.614 -135.894 -93.43 21.1827 -160.642 218.982 -189.912 PRESSAVG: 3061600 -3.55925 -3.73215 -36.4745 -3.73214 24.141 32.9635 -36.4745 32.9634 14.7728 GPRESSAVG: 3061600 -3.48529 -3.93415 -36.1739 -0.954267 21.6453 31.6874 -32.7228 33.0214 16.9291 TIMING: 3061600 CPU: 9738.76, 0.00315383/step Wall: 9738.76, 0.00315383/step, 1.69816 hours remaining, 241.070312 MB of memory in use. ENERGY: 3061600 4008.5082 20422.4307 14500.6944 265.9511 -203740.1810 2736.8126 0.0000 0.0000 52225.9672 -109579.8169 300.1434 -161805.7841 -109211.1389 299.4826 -220.1603 -194.0524 761846.7344 11.7849 11.6964 PRESSURE: 3061800 179.705 174.017 232.539 174.017 -94.9997 -5.32063 232.538 -5.3199 -169.396 GPRESSURE: 3061800 154.125 178.286 215.185 56.1529 19.2184 54.034 54.7847 36.6206 -177.203 PRESSAVG: 3061800 -11.9206 -14.8791 -94.7356 -14.8791 -32.7466 21.8873 -94.7356 21.8873 1.91806 GPRESSAVG: 3061800 -13.2441 -14.4018 -97.6112 -17.4603 -29.519 23.0026 -97.8699 19.9109 0.19218 TIMING: 3061800 CPU: 9739.4, 0.0031661/step Wall: 9739.4, 0.0031661/step, 1.70459 hours remaining, 241.070312 MB of memory in use. ENERGY: 3061800 4088.1782 20489.6971 14505.0669 271.8074 -203132.9722 2297.3087 0.0000 0.0000 51877.0819 -109603.8321 298.1383 -161480.9140 -109243.5862 299.4593 -28.2302 -1.2866 760672.8124 -14.2497 -14.1903 PRESSURE: 3062000 -139.797 -92.2838 -117.415 -92.2848 -108.067 58.8267 -117.415 58.8268 -91.33 GPRESSURE: 3062000 -82.0389 -98.9013 -51.3289 -20.3812 -101.886 36.9807 -57.7371 4.1394 -69.6145 PRESSAVG: 3062000 10.9569 -55.8082 -11.0022 -55.8083 -19.6555 -26.6449 -11.0021 -26.6449 6.11633 GPRESSAVG: 3062000 10.8864 -56.1478 -8.52473 -54.7489 -19.0403 -26.85 -12.5626 -27.2203 5.58714 TIMING: 3062000 CPU: 9740.03, 0.00317172/step Wall: 9740.03, 0.00317172/step, 1.70744 hours remaining, 241.070312 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: 3062000 4014.9662 20558.0311 14565.2995 264.1660 -203625.8771 2515.3290 0.0000 0.0000 52072.9001 -109635.1851 299.2637 -161708.0853 -109287.4616 299.0383 -113.0646 -84.5130 759873.0369 -0.8608 -0.8556 PRESSURE: 3062200 2.18383 0.967082 -45.2677 0.966307 35.4125 -218.203 -45.2681 -218.204 324.114 GPRESSURE: 3062200 34.9323 -119.972 -9.05585 -29.0203 56.399 -129.694 17.9287 -240.44 359.375 PRESSAVG: 3062200 -7.39577 -26.0868 29.4635 -26.0869 10.8071 -43.5617 29.4635 -43.5616 6.87635 GPRESSAVG: 3062200 -6.42387 -26.8553 29.5064 -24.1362 9.60728 -43.2616 30.6434 -44.1303 7.12944 TIMING: 3062200 CPU: 9740.67, 0.00318048/step Wall: 9740.67, 0.00318048/step, 1.71198 hours remaining, 241.070312 MB of memory in use. ENERGY: 3062200 3989.7840 20476.4778 14510.1094 236.2301 -203839.2877 2509.1658 0.0000 0.0000 52396.1476 -109721.3730 301.1214 -162117.5206 -109349.9465 299.8296 120.5699 150.2356 758826.1471 3.4292 3.4376 PRESSURE: 3062400 -419.207 57.5424 196.43 57.5423 -26.0469 67.7687 196.429 67.7691 33.3918 GPRESSURE: 3062400 -441.649 44.8731 133.243 43.8475 123.375 40.7528 179.775 -3.92071 -13.7219 PRESSAVG: 3062400 37.949 22.1424 -25.7756 22.1424 -1.14853 30.158 -25.7755 30.158 -8.82269 GPRESSAVG: 3062400 37.8467 22.3088 -26.7631 20.2708 -0.891826 28.9476 -25.3209 30.9592 -9.70783 TIMING: 3062400 CPU: 9741.3, 0.00318112/step Wall: 9741.3, 0.00318112/step, 1.71215 hours remaining, 241.070312 MB of memory in use. ENERGY: 3062400 4073.3013 20405.1402 14450.0515 244.2669 -203824.2217 2682.6055 0.0000 0.0000 51970.8848 -109997.9716 298.6774 -161968.8564 -109628.2363 299.2023 -137.2875 -110.6654 759887.2754 9.3259 9.0824 PRESSURE: 3062600 97.8247 -25.533 -25.337 -25.533 -452.87 -1.19805 -25.3375 -1.19799 176.32 GPRESSURE: 3062600 27.9129 -23.8998 -28.1005 70.0861 -388.338 8.17405 -66.5871 -41.3137 259.809 PRESSAVG: 3062600 -34.9463 16.3998 8.61085 16.3998 90.5519 15.8891 8.61088 15.8891 -3.13699 GPRESSAVG: 3062600 -36.2768 17.5053 8.97648 15.5848 90.6917 16.8348 7.79042 16.2133 -2.05998 TIMING: 3062600 CPU: 9741.94, 0.00318984/step Wall: 9741.94, 0.00318984/step, 1.71667 hours remaining, 241.070312 MB of memory in use. ENERGY: 3062600 3844.4807 20541.0993 14432.5370 244.9369 -203558.3533 2470.0978 0.0000 0.0000 52046.3869 -109978.8147 299.1113 -162025.2016 -109630.6986 299.0299 -59.5751 -33.5386 760546.1257 17.4896 17.4517 PRESSURE: 3062800 428.261 15.1341 -152.077 15.1338 189.316 -51.3289 -152.078 -51.3285 348.978 GPRESSURE: 3062800 435.897 99.0593 -127.41 59.564 325.549 -88.9745 -277.84 -37.7098 308.677 PRESSAVG: 3062800 10.0544 -16.0874 -13.6872 -16.0873 2.5507 -8.46993 -13.6872 -8.46989 -1.36902 GPRESSAVG: 3062800 9.97658 -16.5402 -14.2332 -15.4664 4.19449 -8.76162 -13.9942 -8.4822 -2.59092 TIMING: 3062800 CPU: 9742.58, 0.00320431/step Wall: 9742.58, 0.00320431/step, 1.72428 hours remaining, 241.070312 MB of memory in use. ENERGY: 3062800 3930.2134 20426.5906 14454.2843 242.7419 -203503.4463 2780.6770 0.0000 0.0000 51961.9538 -109706.9852 298.6261 -161668.9390 -109343.0302 299.0133 322.1849 356.7078 761657.5244 3.7454 3.8600 PRESSURE: 3063000 80.0193 212.385 59.2544 212.384 -27.9756 -36.902 59.255 -36.9024 -117.307 GPRESSURE: 3063000 -11.6617 83.4959 63.5242 112.407 134.68 17.9086 -94.4914 -39.8916 -93.7509 PRESSAVG: 3063000 7.37154 35.5633 -58.0257 35.5633 -10.2655 -32.7541 -58.0256 -32.7542 -12.4247 GPRESSAVG: 3063000 7.50485 34.5487 -57.1358 34.3617 -11.4673 -33.1645 -58.2533 -32.359 -11.5009 TIMING: 3063000 CPU: 9743.22, 0.00318308/step Wall: 9743.22, 0.00318308/step, 1.71267 hours remaining, 241.070312 MB of memory in use. ENERGY: 3063000 3907.4205 20439.2204 14476.4759 261.1206 -203145.4918 2530.8771 0.0000 0.0000 52003.0194 -109527.3579 298.8621 -161530.3773 -109169.1299 299.0033 -21.7544 9.7558 762200.1554 -5.1062 -5.1544 PRESSURE: 3063200 -166.423 -90.8086 15.8301 -90.809 -212.362 40.7604 15.8301 40.7597 240.952 GPRESSURE: 3063200 -70.0742 -90.9143 136.914 -4.06777 -173.312 6.30612 46.4887 4.3621 189.909 PRESSAVG: 3063200 27.3127 -42.5231 14.7237 -42.5231 -47.3165 -13.3938 14.7236 -13.3939 4.02963 GPRESSAVG: 3063200 28.1046 -44.224 14.926 -41.8377 -48.2838 -12.4024 15.4423 -12.9904 3.41577 TIMING: 3063200 CPU: 9743.86, 0.00319736/step Wall: 9743.86, 0.00319736/step, 1.72018 hours remaining, 241.070312 MB of memory in use. ENERGY: 3063200 4030.5048 20399.4945 14432.7769 244.8396 -202823.5237 2401.9807 0.0000 0.0000 51985.9478 -109327.9794 298.7640 -161313.9272 -108962.6164 299.4458 -45.9445 -17.8258 761642.3497 -5.3247 -5.5878 PRESSURE: 3063400 193.393 13.6122 26.8319 13.6124 -168.947 -113.895 26.8312 -113.895 83.9717 GPRESSURE: 3063400 245.442 66.5714 -4.02215 29.911 -149.537 -70.943 15.6921 -178.213 83.9049 PRESSAVG: 3063400 16.1191 -36.884 -0.659197 -36.8839 8.30529 -34.6563 -0.65924 -34.6564 13.6857 GPRESSAVG: 3063400 15.0181 -32.2588 0.238693 -38.6582 9.75509 -33.3967 -0.106002 -35.79 13.6319 TIMING: 3063400 CPU: 9744.49, 0.00317542/step Wall: 9744.49, 0.00317542/step, 1.7082 hours remaining, 241.070312 MB of memory in use. ENERGY: 3063400 3967.4225 20582.0871 14499.2142 247.7145 -202926.2275 2335.2027 0.0000 0.0000 51931.4610 -109363.1256 298.4508 -161294.5865 -109000.6160 299.8006 36.1392 59.9368 760003.8629 12.7034 12.8017 PRESSURE: 3063600 427.794 56.24 -78.7489 56.2395 132.164 115.053 -78.7485 115.052 31.0847 GPRESSURE: 3063600 376.817 -44.9109 -95.9765 41.2413 261.848 90.9759 -89.4586 185.081 32.2043 PRESSAVG: 3063600 26.9238 -43.2175 -36.2576 -43.2175 -10.0041 -63.664 -36.2576 -63.664 -5.82759 GPRESSAVG: 3063600 28.4171 -43.9238 -38.252 -41.2275 -12.3389 -65.9008 -35.7835 -62.4012 -4.82823 TIMING: 3063600 CPU: 9745.13, 0.00318801/step Wall: 9745.13, 0.00318801/step, 1.7148 hours remaining, 241.070312 MB of memory in use. ENERGY: 3063600 3928.6572 20539.3835 14471.6112 229.5639 -202729.8028 2241.7806 0.0000 0.0000 51995.1460 -109323.6604 298.8168 -161318.8064 -108949.9022 299.7313 197.0141 223.6230 760220.9200 3.6974 3.7500 PRESSURE: 3063800 -280.931 -164.133 -142.468 -164.133 -185.892 -95.2487 -142.469 -95.2483 -194.519 GPRESSURE: 3063800 -333.506 -162.291 -107.889 -186.34 -104.043 13.6628 -50.1053 -207.944 -146.401 PRESSAVG: 3063800 3.07745 -3.37472 -10.6288 -3.37471 15.7409 -16.3495 -10.6289 -16.3494 8.92979 GPRESSAVG: 3063800 2.97353 -4.73414 -9.82381 -5.27604 16.8414 -14.2638 -12.9803 -18.3335 8.08631 TIMING: 3063800 CPU: 9745.77, 0.00320215/step Wall: 9745.77, 0.00320215/step, 1.72222 hours remaining, 241.070312 MB of memory in use. ENERGY: 3063800 4018.6427 20581.7486 14482.8150 250.8036 -202604.6577 2186.9550 0.0000 0.0000 52003.1273 -109080.5656 298.8627 -161083.6929 -108717.2364 299.4787 -220.4474 -194.6502 761354.2853 9.2494 9.3004 PRESSURE: 3064000 -136.569 -129.91 45.7883 -129.91 -176.599 245.784 45.7881 245.785 141.67 GPRESSURE: 3064000 -125.352 -220.954 24.0631 -118.226 -109.876 231.743 140.978 237.434 140.519 PRESSAVG: 3064000 -11.9282 -17.9573 -14.6375 -17.9573 1.78756 -42.8379 -14.6375 -42.8379 19.3892 GPRESSAVG: 3064000 -12.0515 -16.2899 -15.9144 -18.303 2.81672 -45.2082 -12.3308 -40.3753 18.7096 TIMING: 3064000 CPU: 9746.41, 0.00320744/step Wall: 9746.41, 0.00320744/step, 1.72489 hours remaining, 241.070312 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: 3064000 3928.0611 20629.4577 14489.6333 248.1449 -203373.2967 2724.0617 0.0000 0.0000 52340.7565 -109013.1814 300.8030 -161353.9380 -108628.9688 300.2054 -57.1659 -31.5696 761005.4796 3.0829 3.1583 PRESSURE: 3064200 211.227 214.654 -137.76 214.655 6.11781 -97.8232 -137.76 -97.8244 -60.4067 GPRESSURE: 3064200 170.728 174.041 -186.544 87.6364 63.8389 -97.1801 -71.0342 -28.3 9.59026 PRESSAVG: 3064200 83.9099 14.7233 -1.00441 14.7232 -28.7752 -56.5197 -1.00435 -56.5197 0.797628 GPRESSAVG: 3064200 84.1399 12.2702 -1.52627 17.1947 -29.2303 -54.5809 0.948831 -58.5285 1.74349 TIMING: 3064200 CPU: 9747.05, 0.00319457/step Wall: 9747.05, 0.00319457/step, 1.71779 hours remaining, 241.070312 MB of memory in use. ENERGY: 3064200 4051.6004 20639.4508 14401.2576 251.8287 -203446.0780 2757.6295 0.0000 0.0000 52168.5031 -109175.8078 299.8131 -161344.3109 -108807.4230 300.3276 52.3128 81.3858 760733.7758 18.6441 18.8844 LDB: ============= START OF LOAD BALANCING ============== 9759.5 LDB: ============== END OF LOAD BALANCING =============== 9759.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.51 LDB: ============= START OF LOAD BALANCING ============== 9759.83 LDB: Largest compute 7056 load 0.035254 is 18.1% of average load 0.195305 LDB: Average compute 0.004395 is 2.3% of average load 0.195305 LDB: TIME 9759.83 LOAD: AVG 0.195305 MAX 0.213665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 9759.83 LOAD: AVG 0.195305 MAX 0.213665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: TIME 9759.83 LOAD: AVG 0.195305 MAX 0.213665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: ============== END OF LOAD BALANCING =============== 9759.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.84 PRESSURE: 3064400 -419.216 6.70674 19.4746 6.70686 14.4842 -46.7605 19.4738 -46.7604 -30.8254 GPRESSURE: 3064400 -362.431 -9.7557 21.9422 99.7212 -40.1658 -1.71011 40.8334 74.7895 52.9587 PRESSAVG: 3064400 -5.67757 10.1197 -103.637 10.1197 -17.9208 11.9411 -103.637 11.9411 -12.1835 GPRESSAVG: 3064400 -5.27164 10.8963 -102.506 11.486 -18.4831 10.6889 -105.608 15.1406 -12.0323 TIMING: 3064400 CPU: 9747.7, 0.00324422/step Wall: 9747.7, 0.00324422/step, 1.74431 hours remaining, 240.605469 MB of memory in use. ENERGY: 3064400 3982.6840 20650.4530 14387.2235 236.3902 -203104.5886 2491.4847 0.0000 0.0000 52179.0883 -109177.2649 299.8739 -161356.3532 -108807.0625 300.1085 -145.1858 -116.5459 761423.1080 -11.9273 -11.9290 PRESSURE: 3064600 -58.1424 -285.133 7.10599 -285.133 52.2095 -85.6487 7.10572 -85.6496 -15.5348 GPRESSURE: 3064600 -80.2653 -185.252 29.9173 -270.256 124.864 -123.745 -71.3397 107.554 8.51351 PRESSAVG: 3064600 -32.2374 -56.7073 -7.02132 -56.7073 39.2592 46.6032 -7.02136 46.6033 20.9291 GPRESSAVG: 3064600 -32.5528 -54.8551 -8.25193 -57.7909 39.6829 47.8874 -7.00797 43.6817 20.4516 TIMING: 3064600 CPU: 9748.34, 0.00319762/step Wall: 9748.34, 0.00319762/step, 1.71907 hours remaining, 241.066406 MB of memory in use. ENERGY: 3064600 4041.6610 20700.6466 14439.0996 236.8954 -203171.3040 2441.1446 0.0000 0.0000 52144.2452 -109167.6116 299.6737 -161311.8569 -108804.5656 300.3985 -7.1559 17.7040 760627.8803 9.3169 9.1939 PRESSURE: 3064800 164.807 -3.53501 -104.935 -3.53518 58.8895 -58.6525 -104.936 -58.6518 353.634 GPRESSURE: 3064800 184.806 -45.5708 -112.314 -13.2967 172.919 -32.0201 -135.229 -35.4146 307.539 PRESSAVG: 3064800 52.1241 -36.0796 17.4523 -36.0797 -27.5313 14.3226 17.4524 14.3225 9.51305 GPRESSAVG: 3064800 50.6966 -37.1376 18.2098 -36.4923 -26.7453 15.6182 16.8488 14.3008 10.0724 TIMING: 3064800 CPU: 9748.98, 0.0031792/step Wall: 9748.98, 0.0031792/step, 1.70899 hours remaining, 241.066406 MB of memory in use. ENERGY: 3064800 4063.6327 20523.2401 14431.8465 243.0366 -203448.3312 2645.2396 0.0000 0.0000 52352.7938 -109188.5419 300.8722 -161541.3357 -108821.7137 300.2897 192.4433 221.7546 759644.7800 11.3686 11.3412 PRESSURE: 3065000 -220.144 18.3847 175.67 18.3856 -352.565 -141.293 175.669 -141.293 -465.37 GPRESSURE: 3065000 -149.983 99.1331 235.281 82.4496 -338.793 -137.539 56.9019 -138.978 -454.829 PRESSAVG: 3065000 -17.0642 -15.5414 29.5881 -15.5413 28.9919 -4.44995 29.588 -4.44991 -9.57902 GPRESSAVG: 3065000 -16.2412 -14.7723 32.032 -14.5757 29.7381 -7.00405 28.5228 -4.95339 -11.0159 TIMING: 3065000 CPU: 9749.61, 0.00317943/step Wall: 9749.61, 0.00317944/step, 1.70895 hours remaining, 241.066406 MB of memory in use. ENERGY: 3065000 4128.4269 20476.2547 14423.5685 244.3505 -202914.4416 2118.6109 0.0000 0.0000 52269.4026 -109253.8276 300.3930 -161523.2301 -108887.1161 300.5555 -346.0265 -314.5349 761056.8182 0.7829 0.8270 PRESSURE: 3065200 140.214 38.6745 137.794 38.674 177.459 32.682 137.793 32.6821 -79.8813 GPRESSURE: 3065200 171.299 73.4686 184.514 -45.6059 201.171 26.2245 38.4598 -129.287 -56.6083 PRESSAVG: 3065200 -38.9913 -27.8112 28.5485 -27.8112 50.4133 -35.0586 28.5485 -35.0586 -5.47943 GPRESSAVG: 3065200 -37.4927 -28.3318 26.9911 -29.5451 47.736 -33.0601 28.678 -37.0308 -4.52022 TIMING: 3065200 CPU: 9750.25, 0.00318314/step Wall: 9750.25, 0.00318314/step, 1.71076 hours remaining, 241.066406 MB of memory in use. ENERGY: 3065200 4021.2054 20500.3978 14446.6265 235.8542 -203480.3884 2558.3765 0.0000 0.0000 52437.8654 -109280.0627 301.3611 -161717.9280 -108915.9184 300.3041 79.2639 105.2870 758327.3478 1.9808 1.9077 PRESSURE: 3065400 -34.5171 -43.4162 121.589 -43.4165 47.1973 -54.8895 121.588 -54.889 30.4541 GPRESSURE: 3065400 -67.0292 -154.338 146.63 -1.81985 13.8056 -103.532 7.46143 40.4236 174.35 PRESSAVG: 3065400 -42.0199 -19.4401 1.34925 -19.4401 19.4875 -12.9152 1.34935 -12.9152 8.18212 GPRESSAVG: 3065400 -43.7761 -20.9974 1.16527 -17.9666 21.1578 -14.4975 1.99676 -12.1701 7.82942 TIMING: 3065400 CPU: 9750.88, 0.00316099/step Wall: 9750.88, 0.00316099/step, 1.69868 hours remaining, 241.066406 MB of memory in use. ENERGY: 3065400 3990.4496 20532.6401 14455.6174 247.0732 -203104.2028 2423.9643 0.0000 0.0000 52103.1446 -109351.3136 299.4375 -161454.4583 -108994.6476 300.0852 14.3781 40.3756 760302.4107 -4.7834 -4.9296 PRESSURE: 3065600 -64.0903 52.644 38.3079 52.6442 -193.557 -19.4895 38.307 -19.4889 -188.958 GPRESSURE: 3065600 -49.7259 -40.6456 85.7034 126.208 -159.698 -35.528 49.2278 -66.4686 -148.398 PRESSAVG: 3065600 21.8838 -47.8484 -27.8214 -47.8484 14.3813 20.9463 -27.8215 20.9463 6.65088 GPRESSAVG: 3065600 22.652 -46.4101 -28.3954 -49.564 13.8774 22.1986 -29.4075 20.0932 6.69601 TIMING: 3065600 CPU: 9751.51, 0.0031606/step Wall: 9751.51, 0.0031606/step, 1.6983 hours remaining, 241.066406 MB of memory in use. ENERGY: 3065600 4026.2262 20424.8726 14494.0762 246.7890 -203477.5470 2364.6990 0.0000 0.0000 52370.7032 -109550.1808 300.9752 -161920.8840 -109180.0773 299.6658 -148.8687 -119.2737 759179.0699 14.3053 14.4085 PRESSURE: 3065800 94.2995 -80.8235 -68.0229 -80.8229 361.53 -32.5901 -68.022 -32.5904 80.1733 GPRESSURE: 3065800 139.961 -72.5553 -22.9016 -123.849 405.826 -76.5393 -14.587 -37.4189 54.7911 PRESSAVG: 3065800 -40.0863 -23.9779 10.56 -23.978 6.03308 -4.50076 10.56 -4.50072 -3.57905 GPRESSAVG: 3065800 -40.4454 -23.1139 10.2356 -24.458 6.9379 -5.91642 13.5031 -2.81508 -4.35873 TIMING: 3065800 CPU: 9752.15, 0.00317245/step Wall: 9752.15, 0.00317245/step, 1.70449 hours remaining, 241.066406 MB of memory in use. ENERGY: 3065800 3993.9460 20611.7543 14397.1239 230.5085 -203202.8297 2338.7837 0.0000 0.0000 52013.2182 -109617.4952 298.9207 -161630.7133 -109262.0537 299.0197 178.6676 200.1930 761082.9905 -12.5441 -12.6221 PRESSURE: 3066000 298.479 184.45 67.911 184.451 383.364 -110.246 67.9098 -110.248 1.57875 GPRESSURE: 3066000 337.103 107.18 33.7181 79.228 378.743 -87.3516 47.166 -12.5052 26.4781 PRESSAVG: 3066000 18.6128 -74.3091 6.88153 -74.309 30.017 13.7591 6.8815 13.7591 -1.68373 GPRESSAVG: 3066000 19.0042 -74.3892 7.42408 -74.0041 28.9424 14.3967 4.57 14.9025 -1.19511 TIMING: 3066000 CPU: 9752.79, 0.00319599/step Wall: 9752.79, 0.00319599/step, 1.71695 hours remaining, 241.066406 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: 3066000 3928.6425 20494.8949 14484.8441 243.6682 -203364.6368 2534.7806 0.0000 0.0000 51969.7407 -109708.0659 298.6708 -161677.8066 -109351.4415 299.1131 227.8073 247.4415 760798.4629 15.6487 15.5838 PRESSURE: 3066200 214.082 -39.4193 -54.0714 -39.4194 189.655 100.594 -54.0712 100.595 96.2535 GPRESSURE: 3066200 141.353 -109.798 -44.1722 2.69944 176.613 97.4655 -119.479 157.259 252.924 PRESSAVG: 3066200 -26.3853 -19.3394 -36.2619 -19.3394 11.609 -14.895 -36.2619 -14.8952 1.45624 GPRESSAVG: 3066200 -25.7745 -19.7627 -36.0073 -19.2353 11.5435 -13.3268 -36.6263 -16.3115 1.0459 TIMING: 3066200 CPU: 9753.42, 0.00317186/step Wall: 9753.42, 0.00317186/step, 1.70382 hours remaining, 241.066406 MB of memory in use. ENERGY: 3066200 3969.0411 20470.6470 14426.7505 245.9151 -203496.4721 2747.1783 0.0000 0.0000 51907.6607 -109729.2796 298.3140 -161636.9402 -109361.1410 298.2193 166.6636 190.2967 761428.5553 -4.4400 -4.3950 PRESSURE: 3066400 -113.06 132.827 59.7356 132.827 -2.26669 169.765 59.7356 169.765 -297.426 GPRESSURE: 3066400 -118.868 67.6731 37.028 -10.7464 38.4437 240.217 -24.8489 61.0859 -236.651 PRESSAVG: 3066400 -40.5118 -1.15205 -41.3298 -1.15196 24.9402 -4.96409 -41.3298 -4.96421 20.7517 GPRESSAVG: 3066400 -42.5918 -2.81522 -43.1306 0.435156 27.3136 -5.78305 -40.2811 -5.42771 21.1142 TIMING: 3066400 CPU: 9754.06, 0.00319739/step Wall: 9754.06, 0.00319739/step, 1.71735 hours remaining, 241.066406 MB of memory in use. ENERGY: 3066400 3961.0668 20463.3934 14568.5892 241.1366 -203344.8739 2273.1191 0.0000 0.0000 51990.2057 -109847.3632 298.7884 -161837.5688 -109477.7471 298.5671 -137.5842 -105.6920 760112.7963 1.7267 1.9453 PRESSURE: 3066600 -297.955 -28.0594 -20.7907 -28.0592 -248.118 -270.719 -20.7904 -270.721 55.5464 GPRESSURE: 3066600 -224.345 -125.803 -16.8439 1.12434 -286.541 -251.536 43.2601 -206.677 115.787 PRESSAVG: 3066600 22.7478 -39.708 -2.29634 -39.708 31.1291 2.29359 -2.29634 2.29365 13.0702 GPRESSAVG: 3066600 24.2875 -38.2919 -0.132969 -41.417 28.5009 1.75199 -2.7244 2.90581 13.9308 TIMING: 3066600 CPU: 9754.7, 0.00318918/step Wall: 9754.7, 0.00318917/step, 1.71276 hours remaining, 241.136719 MB of memory in use. ENERGY: 3066600 3911.2859 20598.2970 14465.7222 246.9474 -203611.1740 2505.8023 0.0000 0.0000 52142.0780 -109741.0410 299.6612 -161883.1191 -109371.2605 298.9657 -163.5088 -131.6995 760010.0439 22.3157 22.2397 PRESSURE: 3066800 27.4976 21.2896 -46.0949 21.2892 -219.424 -87.6115 -46.0949 -87.6112 -113.685 GPRESSURE: 3066800 8.15 -23.1353 -93.9419 30.1879 -143.719 -90.4842 -168.158 55.6765 -86.7382 PRESSAVG: 3066800 22.6108 -17.2675 -16.5762 -17.2675 14.8366 -11.7083 -16.5761 -11.7083 23.4698 GPRESSAVG: 3066800 22.8154 -17.6303 -18.5655 -17.1664 17.026 -10.0028 -14.7615 -10.3438 21.1654 TIMING: 3066800 CPU: 9755.34, 0.00319211/step Wall: 9755.34, 0.00319212/step, 1.71417 hours remaining, 241.136719 MB of memory in use. ENERGY: 3066800 3973.4460 20550.8810 14402.3928 254.2607 -203031.4944 2169.3013 0.0000 0.0000 52094.5811 -109586.6315 299.3883 -161681.2126 -109220.6478 299.0833 -101.8704 -74.1023 759287.6129 20.3058 20.3356 PRESSURE: 3067000 -395.763 306.737 41.163 306.737 118.055 71.9068 41.1627 71.906 124.103 GPRESSURE: 3067000 -246.345 269.236 37.8365 287.521 86.9666 100.232 -107.517 -84.2953 105.432 PRESSAVG: 3067000 -73.3172 -11.9447 -66.5631 -11.9448 39.4022 -27.831 -66.5631 -27.8309 3.15656 GPRESSAVG: 3067000 -73.0302 -12.8766 -66.865 -10.8379 37.9337 -29.9912 -66.8018 -29.3815 4.34663 TIMING: 3067000 CPU: 9755.97, 0.00316918/step Wall: 9755.97, 0.00316918/step, 1.70167 hours remaining, 241.136719 MB of memory in use. ENERGY: 3067000 4038.1139 20634.8424 14433.9446 251.6014 -203217.4510 2329.5278 0.0000 0.0000 52032.3311 -109497.0896 299.0305 -161529.4208 -109140.0175 299.5141 -51.2014 -17.9820 760273.6560 -10.2528 -10.2499 PRESSURE: 3067200 -288.311 18.3613 -23.1886 18.3617 -78.2808 39.1224 -23.1883 39.1235 -53.7788 GPRESSURE: 3067200 -304.675 30.1187 11.1701 37.2059 -27.6605 127.298 56.8531 -94.8541 -21.6766 PRESSAVG: 3067200 -53.1026 49.2231 -21.5052 49.2231 78.016 -45.5488 -21.5052 -45.5488 41.5767 GPRESSAVG: 3067200 -54.536 51.1265 -19.4628 48.088 79.3248 -44.5443 -24.3977 -45.0041 41.6117 TIMING: 3067200 CPU: 9756.61, 0.00320079/step Wall: 9756.61, 0.00320079/step, 1.71847 hours remaining, 241.136719 MB of memory in use. ENERGY: 3067200 3964.1890 20510.9907 14513.5835 249.2594 -203544.2189 2496.0650 0.0000 0.0000 52166.7930 -109643.3383 299.8033 -161810.1313 -109272.1831 299.7903 -140.1234 -118.0040 761579.6586 22.1634 22.1335 PRESSURE: 3067400 132.829 -0.986278 -80.9816 -0.985487 -212.725 78.8881 -80.9815 78.8882 219.464 GPRESSURE: 3067400 152.487 119.075 -36.3394 -4.16906 -135.196 91.0665 21.6654 70.2669 203.153 PRESSAVG: 3067400 -27.5677 -7.93115 7.30132 -7.93116 78.1827 -11.4683 7.30129 -11.4683 -0.564556 GPRESSAVG: 3067400 -26.5026 -7.95998 5.17886 -6.93151 77.2994 -12.039 10.3484 -9.61659 -0.912811 TIMING: 3067400 CPU: 9757.25, 0.00319645/step Wall: 9757.25, 0.00319645/step, 1.71596 hours remaining, 241.136719 MB of memory in use. ENERGY: 3067400 3962.0706 20638.0604 14459.4703 248.7059 -203262.2580 2408.1846 0.0000 0.0000 51932.2626 -109613.5036 298.4554 -161545.7662 -109258.2659 299.5650 46.5226 73.4816 760377.2297 16.6835 16.6280 PRESSURE: 3067600 -285.656 3.33191 -19.666 3.33145 -51.9878 -84.8288 -19.6665 -84.8299 -30.38 GPRESSURE: 3067600 -230.75 4.13056 -22.7403 -4.17004 -6.55724 -37.3464 19.1153 -120.747 -25.2301 PRESSAVG: 3067600 -25.6539 38.5729 57.0604 38.5729 37.801 -25.0175 57.0604 -25.0176 -17.3415 GPRESSAVG: 3067600 -24.73 39.3578 57.8969 38.7546 36.4285 -22.0388 57.1876 -27.1647 -16.7593 TIMING: 3067600 CPU: 9757.89, 0.00317754/step Wall: 9757.89, 0.00317754/step, 1.70563 hours remaining, 241.136719 MB of memory in use. ENERGY: 3067600 4021.7869 20631.9380 14389.4629 234.6198 -203336.0141 2257.3047 0.0000 0.0000 52070.1138 -109730.7880 299.2477 -161800.9018 -109364.8794 299.1561 -122.6744 -87.5124 760084.8811 -1.7315 -1.6869 PRESSURE: 3067800 134.732 64.413 269.768 64.4129 14.7764 -39.289 269.768 -39.2896 505.755 GPRESSURE: 3067800 287.086 -30.7836 183.891 56.3062 42.6915 -60.5515 305.891 -154.764 416.308 PRESSAVG: 3067800 -58.0531 -22.779 -20.0461 -22.779 53.4021 -23.0442 -20.0461 -23.0441 27.6391 GPRESSAVG: 3067800 -57.8584 -24.5766 -21.4006 -25.6616 54.7191 -25.6291 -20.0304 -21.5541 26.4579 TIMING: 3067800 CPU: 9758.52, 0.00317253/step Wall: 9758.52, 0.00317253/step, 1.70277 hours remaining, 241.136719 MB of memory in use. ENERGY: 3067800 3901.6232 20517.7905 14423.3648 251.7125 -203586.4526 2464.8162 0.0000 0.0000 52318.8525 -109708.2930 300.6772 -162027.1455 -109341.4474 299.1270 218.4213 248.6949 759431.4812 7.6627 7.7729 PRESSURE: 3068000 -164.71 79.7091 -135.018 79.7086 -265.635 152.005 -135.018 152.005 -214.228 GPRESSURE: 3068000 -131.243 6.09888 -95.7321 229.211 -233.8 178.967 -100.925 -30.2385 -179.225 PRESSAVG: 3068000 -53.2858 -26.1615 -26.6337 -26.1615 26.0744 -49.2421 -26.6337 -49.2421 -0.396284 GPRESSAVG: 3068000 -53.7411 -26.4755 -25.9154 -23.4485 25.8118 -49.1011 -29.0636 -51.335 0.130283 TIMING: 3068000 CPU: 9759.16, 0.0031906/step Wall: 9759.16, 0.0031906/step, 1.71229 hours remaining, 241.136719 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: 3068000 3942.4310 20611.1371 14438.9370 266.8136 -203180.4749 2076.5939 0.0000 0.0000 52096.0750 -109748.4872 299.3969 -161844.5622 -109384.1242 299.3258 -214.8576 -181.4225 760405.3169 -9.2025 -9.2663 PRESSURE: 3068200 0.606932 -38.9985 60.1059 -38.9992 274.178 -68.9367 60.1056 -68.9358 7.67196 GPRESSURE: 3068200 -2.40066 39.9348 51.8666 -7.87065 308.629 24.4507 142.967 42.7185 39.3241 PRESSAVG: 3068200 -5.63969 16.9564 12.3459 16.9565 18.9341 4.67704 12.346 4.67712 -3.79752 GPRESSAVG: 3068200 -6.29049 17.4323 14.182 17.4396 19.2256 5.70683 12.1649 4.70281 -3.48126 TIMING: 3068200 CPU: 9759.8, 0.00318851/step Wall: 9759.8, 0.00318851/step, 1.71099 hours remaining, 241.136719 MB of memory in use. ENERGY: 3068200 4021.6458 20678.9044 14460.2106 270.3941 -203532.7769 2502.0451 0.0000 0.0000 52081.3061 -109518.2708 299.3120 -161599.5769 -109150.9845 299.3681 94.1523 115.1842 761180.3630 3.1656 3.1513 LDB: ============= START OF LOAD BALANCING ============== 9772.25 LDB: ============== END OF LOAD BALANCING =============== 9772.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.25 LDB: ============= START OF LOAD BALANCING ============== 9772.57 LDB: Largest compute 7070 load 0.035413 is 18.1% of average load 0.195219 LDB: Average compute 0.004387 is 2.2% of average load 0.195219 LDB: TIME 9772.58 LOAD: AVG 0.195219 MAX 0.214097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.445 MB LDB: TIME 9772.58 LOAD: AVG 0.195219 MAX 0.214097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: TIME 9772.58 LOAD: AVG 0.195219 MAX 0.214097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: ============== END OF LOAD BALANCING =============== 9772.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.58 PRESSURE: 3068400 57.3604 -42.7171 -33.414 -42.7169 193.245 -20.3004 -33.4146 -20.301 -495.379 GPRESSURE: 3068400 130.406 -186.15 111.796 -42.1036 183.641 -33.4185 -122.17 -3.56085 -484.745 PRESSAVG: 3068400 0.903842 6.93572 46.3929 6.93572 1.52798 -10.3214 46.3928 -10.3215 0.37476 GPRESSAVG: 3068400 0.755538 5.79899 44.3233 8.56768 1.318 -10.3201 49.0334 -11.4115 0.46679 TIMING: 3068400 CPU: 9760.45, 0.00326443/step Wall: 9760.45, 0.00326443/step, 1.75155 hours remaining, 242.089844 MB of memory in use. ENERGY: 3068400 3957.3740 20520.1101 14533.2654 261.1233 -203736.2620 2368.6748 0.0000 0.0000 52392.1132 -109703.6011 301.0982 -162095.7142 -109332.0358 299.4864 -81.5913 -56.8994 759914.4964 0.9355 0.8468 PRESSURE: 3068600 144.273 337.335 -15.0599 337.336 -284.256 194.334 -15.0601 194.333 -320.484 GPRESSURE: 3068600 155.621 344.923 -60.8589 262.375 -210.147 255.741 8.45943 96.7969 -315.708 PRESSAVG: 3068600 -52.172 17.1336 28.1548 17.1336 46.0169 -16.3873 28.1547 -16.3873 -11.5827 GPRESSAVG: 3068600 -51.0096 19.2778 28.9745 14.4731 46.1902 -17.209 27.4623 -14.052 -12.6363 TIMING: 3068600 CPU: 9761.09, 0.00322214/step Wall: 9761.09, 0.00322214/step, 1.72868 hours remaining, 242.292969 MB of memory in use. ENERGY: 3068600 4034.1395 20606.4283 14485.1542 243.1607 -203263.6800 2319.2654 0.0000 0.0000 51928.8428 -109646.6890 298.4358 -161575.5319 -109288.0179 298.8376 -153.4889 -123.4114 759712.9494 -5.9126 -5.8186 PRESSURE: 3068800 -80.1357 156.586 78.7909 156.586 41.2667 83.4823 78.7905 83.4828 159.435 GPRESSURE: 3068800 -27.769 129.746 106.694 179.636 74.8343 86.5968 51.3744 198.144 160.531 PRESSAVG: 3068800 -68.6166 20.0345 -48.3668 20.0345 61.2164 -10.5544 -48.3668 -10.5544 5.65752 GPRESSAVG: 3068800 -69.1276 19.8885 -49.3257 18.8456 60.8216 -9.7234 -49.0186 -11.2521 6.52985 TIMING: 3068800 CPU: 9761.73, 0.00320867/step Wall: 9761.73, 0.00320867/step, 1.72127 hours remaining, 242.292969 MB of memory in use. ENERGY: 3068800 3956.6113 20496.0765 14502.7963 237.0415 -203425.7036 2498.6046 0.0000 0.0000 52354.2822 -109380.2913 300.8808 -161734.5734 -109015.0525 299.6127 40.1886 69.1987 759921.0410 -0.5809 -0.5920 PRESSURE: 3069000 81.6002 133.349 80.0258 133.349 166.4 -67.3728 80.026 -67.3747 -221.596 GPRESSURE: 3069000 116.292 199.576 162.735 55.4114 176.047 -1.05991 -164.477 -13.8744 -189.482 PRESSAVG: 3069000 1.2366 14.7075 2.35094 14.7076 26.0421 9.75438 2.35093 9.75444 2.60573 GPRESSAVG: 3069000 0.712901 15.2113 3.76384 15.913 26.4041 9.43244 0.846371 12.5184 2.73527 TIMING: 3069000 CPU: 9762.37, 0.00319193/step Wall: 9762.37, 0.00319192/step, 1.71211 hours remaining, 242.292969 MB of memory in use. ENERGY: 3069000 3962.0185 20786.0342 14412.6638 230.5029 -203122.3966 2219.3556 0.0000 0.0000 52084.6546 -109427.1670 299.3312 -161511.8217 -109065.6470 299.6765 8.8015 34.2857 760976.2293 9.9615 9.9508 PRESSURE: 3069200 -167.957 119.991 -173.172 119.992 -72.6912 87.0647 -173.171 87.0655 19.0545 GPRESSURE: 3069200 -104.645 -34.7509 -113.309 48.385 -75.303 147.264 -204.908 -36.8661 44.7886 PRESSAVG: 3069200 -2.23089 37.3613 42.136 37.3613 -22.5955 15.8114 42.136 15.8114 2.95161 GPRESSAVG: 3069200 -3.27455 38.379 39.6541 35.1742 -22.4421 17.0061 43.1891 13.8951 3.31902 TIMING: 3069200 CPU: 9763.01, 0.00316987/step Wall: 9763.01, 0.00316987/step, 1.70011 hours remaining, 242.292969 MB of memory in use. ENERGY: 3069200 3976.5651 20693.9457 14458.0370 256.5462 -203312.2737 2419.6409 0.0000 0.0000 52307.6568 -109199.8820 300.6128 -161507.5388 -108839.0854 300.4982 -73.8646 -45.0532 761910.6065 -7.2916 -7.4659 PRESSURE: 3069400 79.1575 -29.2224 -188.59 -29.2225 178.939 122.295 -188.591 122.296 -25.8104 GPRESSURE: 3069400 114.118 -94.8038 -196.679 -79.2737 258.423 118.293 -199.967 31.157 -43.2604 PRESSAVG: 3069400 -67.881 2.61097 12.9451 2.61098 47.4985 19.4159 12.9451 19.4158 4.10178 GPRESSAVG: 3069400 -67.7861 -0.0143795 15.3259 4.10416 47.9477 18.9002 11.3786 21.3073 3.98534 TIMING: 3069400 CPU: 9763.64, 0.0031747/step Wall: 9763.64, 0.0031747/step, 1.70252 hours remaining, 242.292969 MB of memory in use. ENERGY: 3069400 4038.7485 20659.3216 14486.2796 249.7852 -203523.8088 2669.8035 0.0000 0.0000 52252.7441 -109167.1264 300.2972 -161419.8705 -108812.2658 300.9105 77.4285 109.7599 761080.6719 -5.4269 -5.2844 PRESSURE: 3069600 -235.298 39.0754 -35.2082 39.0745 -447.726 -395.144 -35.2084 -395.143 -532.481 GPRESSURE: 3069600 -128.635 147.915 -41.2621 -90.8578 -465.586 -291.18 38.6377 -442.29 -535.532 PRESSAVG: 3069600 -12.9171 -20.6812 19.1385 -20.6812 5.62847 26.4152 19.1385 26.4152 -2.7406 GPRESSAVG: 3069600 -11.8709 -17.4121 18.072 -22.1178 4.40202 25.0214 20.1253 25.8337 -3.00214 TIMING: 3069600 CPU: 9764.28, 0.00317955/step Wall: 9764.28, 0.00317955/step, 1.70495 hours remaining, 242.292969 MB of memory in use. ENERGY: 3069600 4055.3745 20769.4669 14473.6795 245.1730 -203373.5053 2478.0755 0.0000 0.0000 52325.4202 -109026.3155 300.7149 -161351.7358 -108663.9560 300.2097 -405.1684 -376.5844 762785.1636 -3.3431 -3.4903 PRESSURE: 3069800 177.238 57.7437 -235.163 57.7432 -191.267 -14.1246 -235.162 -14.1243 -30.5546 GPRESSURE: 3069800 226.167 -84.6436 -226.863 -86.5568 -91.9754 -19.1235 -261.761 -147.148 -78.5565 PRESSAVG: 3069800 1.36994 2.86606 -39.2331 2.86607 -34.9501 -52.0011 -39.233 -52.0011 25.135 GPRESSAVG: 3069800 1.04511 1.15102 -40.3083 4.81423 -33.8653 -52.0574 -38.7889 -52.1414 24.615 TIMING: 3069800 CPU: 9764.91, 0.00317012/step Wall: 9764.91, 0.00317012/step, 1.69971 hours remaining, 242.292969 MB of memory in use. ENERGY: 3069800 3973.6622 20510.6646 14437.1572 255.3459 -203328.6840 2450.6859 0.0000 0.0000 52611.9742 -109089.1940 302.3617 -161701.1682 -108717.8949 300.2513 -14.8612 18.5451 761800.4197 -2.8151 -2.7351 PRESSURE: 3070000 -64.524 102.476 126.231 102.476 67.5976 -14.7738 126.231 -14.7746 282.028 GPRESSURE: 3070000 -63.0869 128.739 147.952 30.5575 129.329 -90.9634 47.1901 12.2207 315.044 PRESSAVG: 3070000 -1.85689 -28.6103 -71.4518 -28.6103 -8.26492 16.8757 -71.4518 16.8757 -7.47269 GPRESSAVG: 3070000 -1.77049 -29.2004 -71.3768 -28.8753 -8.02388 18.1381 -71.4309 15.1893 -7.50234 TIMING: 3070000 CPU: 9765.55, 0.00318482/step Wall: 9765.55, 0.00318482/step, 1.70742 hours remaining, 242.292969 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: 3070000 3961.4437 20562.7357 14454.9703 247.6892 -202824.4965 2396.0574 0.0000 0.0000 52244.8529 -108956.7474 300.2519 -161201.6002 -108594.9388 300.5044 95.0338 127.0955 762274.0189 -5.8648 -5.7656 PRESSURE: 3070200 -110.726 40.1516 165.59 40.152 42.6968 430.536 165.59 430.537 -89.4984 GPRESSURE: 3070200 -10.6298 36.3646 134.866 111.97 2.97362 472.142 113.107 338.34 -68.2753 PRESSAVG: 3070200 79.0009 -38.2358 -44.7094 -38.2358 -34.2309 49.8495 -44.7094 49.8495 -17.296 GPRESSAVG: 3070200 78.2236 -38.1673 -44.6094 -37.8177 -35.0464 49.6782 -44.1959 50.855 -15.752 TIMING: 3070200 CPU: 9766.18, 0.00316214/step Wall: 9766.18, 0.00316214/step, 1.69508 hours remaining, 242.292969 MB of memory in use. ENERGY: 3070200 3995.4676 20507.6410 14531.0930 270.9847 -203020.7823 2533.1999 0.0000 0.0000 52181.5742 -109000.8219 299.8882 -161182.3961 -108640.4379 300.1079 -52.5092 -25.3105 761693.0591 9.1580 9.1417 PRESSURE: 3070400 65.7017 -53.2378 -41.1466 -53.2373 -51.4195 -169.782 -41.1464 -169.782 -112.201 GPRESSURE: 3070400 111.645 -178.892 33.157 -175.203 -36.8419 -227.648 -139.843 -173.309 -89.8372 PRESSAVG: 3070400 -26.2795 -35.4605 -5.96451 -35.4604 18.5725 16.0191 -5.96445 16.0191 -4.81955 GPRESSAVG: 3070400 -25.2747 -34.7948 -5.80815 -35.812 18.7355 18.1102 -4.33542 14.7401 -5.90939 TIMING: 3070400 CPU: 9766.82, 0.00318532/step Wall: 9766.82, 0.00318532/step, 1.70733 hours remaining, 242.292969 MB of memory in use. ENERGY: 3070400 3988.7254 20600.8288 14471.8497 235.6567 -202937.3025 2376.9766 0.0000 0.0000 52019.1922 -109244.0731 298.9550 -161263.2654 -108879.6483 299.8737 -32.6396 -5.0114 762267.4983 -4.1755 -4.1495 PRESSURE: 3070600 51.3822 57.8038 83.1475 57.8028 -145.285 139.873 83.1474 139.872 -228.093 GPRESSURE: 3070600 11.8317 138.882 20.5736 86.7133 -129.578 124.125 -109.22 92.1927 -129.614 PRESSAVG: 3070600 -23.9462 -13.7016 -3.50326 -13.7016 6.33036 -33.1056 -3.50326 -33.1055 -18.4737 GPRESSAVG: 3070600 -24.6966 -15.6923 -3.9542 -11.9789 6.27994 -35.3758 -5.48768 -30.8167 -17.774 TIMING: 3070600 CPU: 9767.46, 0.00318854/step Wall: 9767.46, 0.00318854/step, 1.70888 hours remaining, 242.292969 MB of memory in use. ENERGY: 3070600 4068.5415 20622.1027 14466.7456 251.0967 -202929.2724 2288.0007 0.0000 0.0000 51884.0086 -109348.7767 298.1781 -161232.7853 -108988.8050 299.0152 -107.3318 -82.4534 761069.1221 -12.0298 -12.0635 PRESSURE: 3070800 -110.345 34.3046 -212.326 34.3047 400.352 -35.9269 -212.325 -35.9259 -230.812 GPRESSURE: 3070800 -72.3705 45.3651 -289.38 35.9736 444.931 19.6696 -79.5042 40.8277 -223.483 PRESSAVG: 3070800 -52.7501 -9.49461 22.7431 -9.49461 36.1021 13.5944 22.7431 13.5944 7.84526 GPRESSAVG: 3070800 -52.6012 -9.72782 23.7096 -10.355 36.334 13.5517 24.3256 10.9064 7.35954 TIMING: 3070800 CPU: 9768.09, 0.00316765/step Wall: 9768.09, 0.00316765/step, 1.69751 hours remaining, 242.292969 MB of memory in use. ENERGY: 3070800 3967.8436 20535.3327 14531.0880 261.8918 -203284.0570 2490.2480 0.0000 0.0000 52098.8893 -109398.7636 299.4130 -161497.6529 -109031.6114 299.6675 19.7318 49.6926 760086.9746 -2.9342 -2.9692 PRESSURE: 3071000 471.247 -6.19337 193.367 -6.19393 290.542 63.6264 193.367 63.6275 313.232 GPRESSURE: 3071000 603.869 114.083 197.711 -22.8614 292.168 41.6269 182.947 34.5726 289.601 PRESSAVG: 3071000 -30.7217 -31.7566 9.77993 -31.7566 38.7069 -6.35395 9.77991 -6.3539 -4.88489 GPRESSAVG: 3071000 -30.3347 -30.522 10.5095 -32.8961 38.6346 -6.64084 9.40284 -3.53071 -5.14612 TIMING: 3071000 CPU: 9768.73, 0.00317823/step Wall: 9768.73, 0.00317823/step, 1.703 hours remaining, 242.292969 MB of memory in use. ENERGY: 3071000 3947.7930 20421.2662 14564.5428 261.7928 -202998.8889 2387.6241 0.0000 0.0000 52155.1632 -109260.7067 299.7364 -161415.8699 -108903.7913 299.6199 358.3404 395.2128 757989.0504 1.0335 1.0513 PRESSURE: 3071200 252.096 -33.1973 255.377 -33.1975 -62.6495 189.582 255.378 189.582 196.246 GPRESSURE: 3071200 222.903 -73.7437 211.569 36.3866 45.313 189.611 270.114 -8.39236 229.036 PRESSAVG: 3071200 22.1256 -31.8102 78.6375 -31.8103 -41.9526 -24.7063 78.6376 -24.7063 -1.30695 GPRESSAVG: 3071200 22.3412 -32.3533 78.2606 -32.4066 -41.2319 -25.5829 77.8772 -24.5811 -1.84048 TIMING: 3071200 CPU: 9769.36, 0.00319095/step Wall: 9769.36, 0.00319095/step, 1.70964 hours remaining, 242.292969 MB of memory in use. ENERGY: 3071200 4018.6039 20458.7173 14506.0706 250.2765 -203036.2127 2394.1575 0.0000 0.0000 52003.8744 -109404.5126 298.8670 -161408.3870 -109050.5354 299.7566 128.5641 165.7507 760479.3051 -7.0446 -6.9104 PRESSURE: 3071400 161.63 37.6467 10.1421 37.6458 61.3203 -28.3824 10.1427 -28.3833 59.9642 GPRESSURE: 3071400 163.87 120.865 100.752 -16.7977 104.96 -31.2722 -9.48765 81.8149 90.6809 PRESSAVG: 3071400 -26.0839 -43.6705 89.5636 -43.6705 -29.1584 11.4359 89.5636 11.4359 -10.762 GPRESSAVG: 3071400 -25.7811 -42.1152 90.8137 -43.2805 -30.1903 13.0895 89.2499 9.93275 -9.95197 TIMING: 3071400 CPU: 9770, 0.00318917/step Wall: 9770, 0.00318917/step, 1.70851 hours remaining, 242.292969 MB of memory in use. ENERGY: 3071400 3929.6592 20562.7349 14475.7877 251.5800 -202878.2951 2239.7197 0.0000 0.0000 52137.1382 -109281.6754 299.6328 -161418.8135 -108924.5490 299.1085 94.3048 119.8371 760772.2346 -22.0015 -21.9745 PRESSURE: 3071600 -302.003 85.5859 4.99136 85.5861 186.461 32.8863 4.99271 32.8864 -134.085 GPRESSURE: 3071600 -263.735 -6.39486 25.8907 75.3631 273.922 -19.2608 64.6802 -53.7766 -199.062 PRESSAVG: 3071600 -76.6301 -44.0448 12.5372 -44.0449 33.083 14.0566 12.5372 14.0567 -10.4436 GPRESSAVG: 3071600 -78.1171 -46.4662 11.3603 -42.23 34.4702 14.3211 11.8292 14.7733 -10.4957 TIMING: 3071600 CPU: 9770.64, 0.00320101/step Wall: 9770.64, 0.00320101/step, 1.71468 hours remaining, 242.292969 MB of memory in use. ENERGY: 3071600 3974.9200 20547.7861 14492.0572 263.2741 -203089.8412 2406.7604 0.0000 0.0000 52195.4525 -109209.5908 299.9680 -161405.0433 -108847.2451 300.0621 -83.2090 -62.9585 762179.8866 -17.9969 -18.0475 PRESSURE: 3071800 -187.444 51.0044 -170.327 51.0041 -639.047 -41.054 -170.326 -41.0555 -421.703 GPRESSURE: 3071800 -185.741 -37.9473 -152.249 51.4632 -573.626 -135.414 -166.497 42.8103 -401.4 PRESSAVG: 3071800 -41.5319 -4.55072 40.249 -4.55076 9.73421 -25.931 40.249 -25.931 8.33318 GPRESSAVG: 3071800 -41.9922 -4.2759 40.4799 -6.38814 10.0748 -28.7029 40.8738 -23.8987 8.54614 TIMING: 3071800 CPU: 9771.28, 0.00320538/step Wall: 9771.28, 0.00320538/step, 1.71684 hours remaining, 242.292969 MB of memory in use. ENERGY: 3071800 3967.8094 20482.2521 14452.7924 260.8806 -202986.7508 2072.3831 0.0000 0.0000 52190.0365 -109560.5966 299.9369 -161750.6332 -109199.0243 299.3743 -416.0647 -386.9224 762472.2615 -7.8215 -7.7904 PRESSURE: 3072000 110.094 30.6357 -88.6961 30.636 141.359 -121.159 -88.6963 -121.16 4.19748 GPRESSURE: 3072000 131.596 99.8785 -19.3534 73.212 247.303 -36.9279 -47.582 -1.40428 -33.8912 PRESSAVG: 3072000 -48.5019 -35.7768 -31.3627 -35.7768 39.782 -45.0655 -31.3628 -45.0655 -12.7419 GPRESSAVG: 3072000 -47.7699 -33.3882 -30.3263 -35.5678 39.8823 -43.4022 -30.8026 -45.6686 -13.8115 TIMING: 3072000 CPU: 9771.92, 0.00318093/step Wall: 9771.92, 0.00318093/step, 1.70356 hours remaining, 242.292969 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: 3072000 3952.5800 20301.9537 14498.1115 247.0059 -203477.3996 2796.0768 0.0000 0.0000 52050.4131 -109631.2585 299.1344 -161681.6716 -109264.7417 299.3031 85.2167 115.0026 763573.8418 -7.1539 -7.2330 PRESSURE: 3072200 182.202 142.536 11.0192 142.536 6.11278 101.94 11.0195 101.941 366.172 GPRESSURE: 3072200 133.74 181.55 25.6352 176.847 142.311 93.6665 -31.6988 78.1579 377.725 PRESSAVG: 3072200 -12.9 -23.7991 10.1382 -23.799 27.9072 -1.35738 10.1382 -1.35739 -17.5408 GPRESSAVG: 3072200 -14.4871 -26.8813 8.65508 -22.3335 28.8262 -0.111416 10.8223 -3.85448 -17.1161 TIMING: 3072200 CPU: 9772.56, 0.00318677/step Wall: 9772.56, 0.00318677/step, 1.70652 hours remaining, 242.292969 MB of memory in use. ENERGY: 3072200 3937.5888 20327.0093 14491.3625 262.0824 -203266.6073 2727.1612 0.0000 0.0000 52013.5531 -109507.8500 298.9226 -161521.4031 -109150.6113 298.9881 184.8289 217.9251 763226.4429 -0.8445 -0.9257 LDB: ============= START OF LOAD BALANCING ============== 9785.01 LDB: ============== END OF LOAD BALANCING =============== 9785.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9785.01 LDB: ============= START OF LOAD BALANCING ============== 9785.34 LDB: Largest compute 7070 load 0.037199 is 19.0% of average load 0.195274 LDB: Average compute 0.004404 is 2.3% of average load 0.195274 LDB: TIME 9785.34 LOAD: AVG 0.195274 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 9785.34 LOAD: AVG 0.195274 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 9785.34 LOAD: AVG 0.195274 MAX 0.214443 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 9785.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9785.35 PRESSURE: 3072400 -77.4852 24.4273 -434.644 24.4272 30.518 -209.345 -434.644 -209.346 -170.755 GPRESSURE: 3072400 -25.9691 -126.715 -373.437 -62.6795 43.843 -282.109 -421.911 -166.806 -152.688 PRESSAVG: 3072400 23.2544 -69.5946 -3.94419 -69.5946 6.81829 -9.37296 -3.94412 -9.37299 -3.69802 GPRESSAVG: 3072400 24.7213 -69.2231 -3.7233 -69.9701 4.92947 -10.6863 -4.56789 -6.77914 -3.19212 TIMING: 3072400 CPU: 9773.21, 0.00327139/step Wall: 9773.21, 0.00327139/step, 1.75165 hours remaining, 240.039062 MB of memory in use. ENERGY: 3072400 3935.7186 20567.1755 14495.8994 256.2748 -203539.8230 2593.2137 0.0000 0.0000 52331.6304 -109359.9106 300.7506 -161691.5410 -109007.3974 299.2693 -72.5740 -44.9379 760970.8599 8.7916 8.8195 PRESSURE: 3072600 -295.405 -175.402 146.469 -175.401 32.0956 -74.0366 146.468 -74.0361 -343.271 GPRESSURE: 3072600 -115.749 -32.3805 173.442 -151.384 19.0782 22.6375 219.592 -258.328 -421.766 PRESSAVG: 3072600 -51.9352 -65.0738 13.7759 -65.0738 38.3292 -24.2823 13.7759 -24.2822 -4.85829 GPRESSAVG: 3072600 -50.9947 -63.8553 14.5115 -64.3482 39.1753 -23.2717 14.244 -26.1809 -6.8791 TIMING: 3072600 CPU: 9773.85, 0.0032162/step Wall: 9773.85, 0.0032162/step, 1.72192 hours remaining, 240.039062 MB of memory in use. ENERGY: 3072600 4043.7700 20358.7733 14521.1797 251.5068 -203083.3805 2273.2853 0.0000 0.0000 52124.9612 -109509.9043 299.5629 -161634.8654 -109144.0789 299.3714 -202.1933 -172.8121 762471.7595 -6.1548 -6.2328 PRESSURE: 3072800 -124.981 14.4284 2.73723 14.4286 -371.591 -12.3841 2.73739 -12.3835 171.824 GPRESSURE: 3072800 -125.602 -2.4894 -102.088 -75.0762 -278.44 -33.5124 8.96076 97.467 165.332 PRESSAVG: 3072800 -3.91883 -62.9244 7.92982 -62.9244 -2.23723 -13.3947 7.92984 -13.3948 14.5589 GPRESSAVG: 3072800 -5.45783 -62.5923 5.38458 -62.2772 -2.04466 -13.1584 8.14086 -11.8257 15.7159 TIMING: 3072800 CPU: 9774.49, 0.00318963/step Wall: 9774.49, 0.00318963/step, 1.70752 hours remaining, 240.039062 MB of memory in use. ENERGY: 3072800 3996.9529 20609.5885 14486.8114 247.1656 -203424.7063 2376.3127 0.0000 0.0000 52123.1375 -109584.7376 299.5524 -161707.8751 -109225.8683 298.6576 -108.2495 -79.5701 761481.6854 2.8009 2.7378 PRESSURE: 3073000 -161.873 -55.5546 -248.646 -55.5547 -72.1045 -125.42 -248.646 -125.42 -203.858 GPRESSURE: 3073000 -101.89 -74.2909 -122.597 -125.035 -92.4687 10.3225 -107.657 -135.949 -173.961 PRESSAVG: 3073000 -2.56527 -56.9546 0.213129 -56.9546 -5.41577 -2.40234 0.21309 -2.40229 -17.9088 GPRESSAVG: 3073000 -2.75926 -55.9546 2.67653 -58.4652 -6.16292 -4.08391 1.27964 -2.44734 -17.5363 TIMING: 3073000 CPU: 9775.13, 0.00321559/step Wall: 9775.13, 0.00321559/step, 1.72123 hours remaining, 240.039062 MB of memory in use. ENERGY: 3073000 3991.8879 20651.7800 14474.2749 267.5003 -203595.7406 2459.6337 0.0000 0.0000 52167.5368 -109583.1270 299.8076 -161750.6638 -109222.0173 299.4630 -145.9452 -122.7732 761172.0512 -8.6299 -8.8195 PRESSURE: 3073200 -664.644 -151.667 -58.2853 -151.667 -57.1232 -85.3407 -58.2846 -85.3411 -168.843 GPRESSURE: 3073200 -639.739 -149.131 -52.8595 -50.7122 -40.6365 -95.5309 -108.807 -20.5519 -152.703 PRESSAVG: 3073200 -71.0805 -41.3847 -47.5188 -41.3846 41.5584 -0.872419 -47.5187 -0.872485 36.0148 GPRESSAVG: 3073200 -70.2321 -44.6497 -50.6887 -40.2453 41.0934 -1.63947 -48.4055 -0.514793 35.6688 TIMING: 3073200 CPU: 9775.77, 0.0031863/step Wall: 9775.77, 0.0031863/step, 1.70538 hours remaining, 240.039062 MB of memory in use. ENERGY: 3073200 4031.9985 20601.5196 14492.4019 234.8453 -203136.2466 2259.0723 0.0000 0.0000 52257.8471 -109258.5619 300.3266 -161516.4090 -108906.9739 299.8085 -296.8701 -277.6928 761957.5444 2.1642 2.1767 PRESSURE: 3073400 -0.956431 -253.068 3.54058 -253.069 -472.242 -113.056 3.54028 -113.056 67.7313 GPRESSURE: 3073400 -10.3985 -183.577 68.2498 -292.842 -428.006 -130.241 -122.371 83.5619 119.269 PRESSAVG: 3073400 -38.1614 -52.377 7.48299 -52.377 15.6123 -22.6317 7.483 -22.6317 7.35714 GPRESSAVG: 3073400 -38.1508 -50.1688 10.8447 -54.2435 15.2507 -21.5989 5.11856 -20.2996 8.04687 TIMING: 3073400 CPU: 9776.41, 0.00319268/step Wall: 9776.41, 0.00319268/step, 1.70862 hours remaining, 240.039062 MB of memory in use. ENERGY: 3073400 4031.0873 20568.4897 14505.4107 241.3836 -203259.3133 2401.7637 0.0000 0.0000 52428.4135 -109082.7647 301.3068 -161511.1782 -108709.8851 300.1638 -135.1558 -106.3785 760355.3476 -5.0640 -4.9511 PRESSURE: 3073600 77.4999 -115.1 188.32 -115.101 187.984 78.3675 188.32 78.3678 -52.957 GPRESSURE: 3073600 170.658 -58.3958 131.641 -105.897 138.859 67.0023 253.053 54.984 -14.8563 PRESSAVG: 3073600 -37.989 -38.1912 -15.2046 -38.1912 98.0599 -28.3622 -15.2047 -28.3622 15.1741 GPRESSAVG: 3073600 -36.9445 -37.954 -16.6757 -36.5761 98.7176 -26.4991 -13.0463 -31.5977 14.0218 TIMING: 3073600 CPU: 9777.05, 0.00318638/step Wall: 9777.05, 0.00318638/step, 1.70507 hours remaining, 240.039062 MB of memory in use. ENERGY: 3073600 4023.7215 20602.4271 14542.1539 237.8812 -203445.9604 2580.7093 0.0000 0.0000 52231.2044 -109227.8630 300.1734 -161459.0674 -108871.3492 299.9297 70.8423 98.2201 761321.5178 25.0816 25.2650 PRESSURE: 3073800 82.424 88.8327 -2.67716 88.8327 -163.475 -41.9111 -2.67673 -41.9114 -510.835 GPRESSURE: 3073800 80.6316 108.429 17.8896 153.885 -109.357 -117.164 51.8343 -242.723 -472.349 PRESSAVG: 3073800 -30.8804 -9.0536 11.2279 -9.05364 33.8198 5.15155 11.2279 5.15152 -0.138348 GPRESSAVG: 3073800 -32.084 -8.38804 12.0955 -8.6966 35.096 3.1344 11.4232 5.46469 0.279085 TIMING: 3073800 CPU: 9777.69, 0.00319521/step Wall: 9777.69, 0.00319521/step, 1.70962 hours remaining, 240.039062 MB of memory in use. ENERGY: 3073800 4004.6177 20542.8593 14506.4579 242.9244 -202873.7779 2134.5909 0.0000 0.0000 52107.7083 -109334.6195 299.4637 -161442.3278 -108975.6856 299.7289 -197.2953 -167.0246 761047.2925 0.9337 1.0970 PRESSURE: 3074000 160.353 79.6062 124.55 79.6058 353.686 -141.643 124.549 -141.644 132.883 GPRESSURE: 3074000 268.963 70.7944 133.051 -24.8612 394.448 -141.235 110.619 -105.333 71.3141 PRESSAVG: 3074000 22.8877 -30.8652 69.6257 -30.8651 3.97159 -33.8936 69.6258 -33.8936 33.8986 GPRESSAVG: 3074000 24.1054 -31.6245 70.2414 -32.1732 3.67472 -33.5167 68.3208 -33.3149 33.3221 TIMING: 3074000 CPU: 9778.32, 0.00317169/step Wall: 9778.32, 0.00317169/step, 1.69686 hours remaining, 240.039062 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: 3074000 3996.9889 20352.4405 14510.0159 241.5385 -203344.2163 2625.8947 0.0000 0.0000 52348.5755 -109268.7624 300.8480 -161617.3379 -108909.8766 299.5296 215.6407 244.9084 761663.8832 20.2526 20.3674 PRESSURE: 3074200 -389.078 -3.24124 97.0455 -3.24239 -142.867 160.344 97.0457 160.344 297.101 GPRESSURE: 3074200 -310.267 -125.492 192.236 -48.9049 -120.777 174.667 -16.889 168.57 290.504 PRESSAVG: 3074200 -24.7339 -15.1443 11.3887 -15.1443 26.4361 65.4227 11.3887 65.4227 20.9609 GPRESSAVG: 3074200 -25.4809 -13.3884 11.1974 -15.5248 26.2547 66.7942 11.3248 63.7953 21.4089 TIMING: 3074200 CPU: 9778.96, 0.00318078/step Wall: 9778.96, 0.00318078/step, 1.70154 hours remaining, 240.039062 MB of memory in use. ENERGY: 3074200 4016.3381 20584.6221 14447.5306 262.9324 -203054.7063 2479.9228 0.0000 0.0000 52202.5312 -109060.8292 300.0087 -161263.3603 -108694.4437 300.0269 -78.2813 -46.8467 761599.1128 7.5544 7.3942 PRESSURE: 3074400 -185.76 136.665 -37.3926 136.664 -3.30112 -141.689 -37.3918 -141.689 35.3373 GPRESSURE: 3074400 -207.01 81.2668 -15.953 112.34 53.8873 -167.529 -4.3053 -115.203 112.165 PRESSAVG: 3074400 -27.425 -23.7097 -16.6406 -23.7097 -28.3983 91.5618 -16.6406 91.5617 1.70334 GPRESSAVG: 3074400 -26.7806 -24.6932 -18.7825 -22.5843 -28.3825 91.3731 -15.1195 94.4255 1.26411 TIMING: 3074400 CPU: 9779.6, 0.00319012/step Wall: 9779.6, 0.00319012/step, 1.70636 hours remaining, 240.039062 MB of memory in use. ENERGY: 3074400 4012.4895 20590.2748 14546.3167 267.3683 -203343.1393 2444.2964 0.0000 0.0000 52321.2178 -109161.1758 300.6908 -161482.3936 -108791.7369 300.5183 -51.2413 -13.6523 761537.0789 -18.0400 -17.9663 PRESSURE: 3074600 -90.6015 -198.599 -224.842 -198.598 130.297 26.7417 -224.842 26.7418 170.767 GPRESSURE: 3074600 -88.85 -167.842 -240.077 -94.8618 228.527 77.8823 -315.966 -128.264 140.068 PRESSAVG: 3074600 5.64931 7.74588 49.0494 7.74583 14.9503 60.4717 49.0494 60.4717 0.75825 GPRESSAVG: 3074600 5.43286 7.73192 50.5561 6.8566 14.8401 59.8395 48.2884 57.4298 1.30642 TIMING: 3074600 CPU: 9780.23, 0.003174/step Wall: 9780.23, 0.003174/step, 1.69756 hours remaining, 240.039062 MB of memory in use. ENERGY: 3074600 4007.7738 20613.9120 14503.7671 250.6306 -203058.7409 2488.7053 0.0000 0.0000 52040.0201 -109153.9320 299.0747 -161193.9521 -108786.7055 300.2277 70.1541 93.2482 761128.5641 7.1193 7.1931 PRESSURE: 3074800 193.518 328.113 -40.5252 328.113 247.657 -170.649 -40.5253 -170.648 -461.183 GPRESSURE: 3074800 192.764 262.891 -50.1251 356.817 328.168 -78.748 -27.2762 -180.576 -447.879 PRESSAVG: 3074800 37.1787 22.8708 13.3777 22.8708 -25.4896 2.02387 13.3777 2.02389 19.8826 GPRESSAVG: 3074800 37.0043 22.1881 13.3316 24.0691 -25.3661 2.21695 13.2658 1.45799 20.1279 TIMING: 3074800 CPU: 9780.86, 0.00317071/step Wall: 9780.86, 0.00317071/step, 1.69563 hours remaining, 240.039062 MB of memory in use. ENERGY: 3074800 4000.8079 20631.2327 14461.5650 258.1284 -203155.3080 2482.4706 0.0000 0.0000 52164.7638 -109156.3396 299.7916 -161321.1034 -108792.8050 300.6465 -6.6694 24.3508 760367.4755 10.5239 10.5887 PRESSURE: 3075000 -96.5857 -137.174 -210.082 -137.174 257.205 -6.09665 -210.083 -6.09724 53.4096 GPRESSURE: 3075000 -87.6469 -94.8468 -97.8139 -120.84 317.919 24.0224 -108.242 25.2139 51.8039 PRESSAVG: 3075000 30.8722 1.49953 49.1952 1.49956 -31.4619 -39.2535 49.1953 -39.2535 -23.6622 GPRESSAVG: 3075000 30.5068 2.3728 49.406 0.70125 -31.4366 -39.5812 47.6068 -37.7419 -23.0824 TIMING: 3075000 CPU: 9781.5, 0.00318899/step Wall: 9781.5, 0.00318899/step, 1.70522 hours remaining, 240.039062 MB of memory in use. ENERGY: 3075000 4057.0746 20653.4663 14476.3802 241.1475 -203537.8135 2640.4491 0.0000 0.0000 52221.0788 -109248.2170 300.1153 -161469.2958 -108885.6031 300.2533 71.3431 94.0252 759820.8621 -8.0839 -8.0041 PRESSURE: 3075200 14.1689 35.608 -29.6707 35.6067 294.192 7.64118 -29.6712 7.64235 148.071 GPRESSURE: 3075200 31.9992 82.6919 86.217 -35.323 320.435 95.3483 -7.93606 9.5992 191.028 PRESSAVG: 3075200 27.9928 -34.6654 3.40484 -34.6654 -21.3465 -10.9822 3.40484 -10.9821 -30.1796 GPRESSAVG: 3075200 28.7896 -36.458 2.93062 -34.9175 -22.0505 -10.3236 4.84028 -10.0074 -30.7 TIMING: 3075200 CPU: 9782.14, 0.00320411/step Wall: 9782.14, 0.00320411/step, 1.71313 hours remaining, 240.039062 MB of memory in use. ENERGY: 3075200 3958.1677 20598.0020 14528.2669 257.9460 -203111.9555 2375.1879 0.0000 0.0000 52320.9303 -109073.4548 300.6891 -161394.3851 -108706.1922 300.2209 152.1439 181.1540 761102.4866 -7.8444 -7.9870 PRESSURE: 3075400 256.863 -99.1379 -91.4089 -99.1383 236.983 -60.0434 -91.4084 -60.043 207.709 GPRESSURE: 3075400 285.112 38.7855 -88.5058 -100.291 283.373 -63.239 -41.7153 49.8448 209.158 PRESSAVG: 3075400 102.117 6.05436 28.6073 6.05438 -79.9705 -43.1164 28.6074 -43.1163 -14.6449 GPRESSAVG: 3075400 101.613 8.79073 29.5677 4.69694 -79.2466 -44.0975 26.5558 -42.9755 -15.7078 TIMING: 3075400 CPU: 9782.79, 0.00321965/step Wall: 9782.79, 0.00321965/step, 1.72126 hours remaining, 240.039062 MB of memory in use. ENERGY: 3075400 3968.4505 20672.7608 14450.4755 230.2901 -203633.1770 2939.7232 0.0000 0.0000 52286.9254 -109084.5515 300.4937 -161371.4769 -108716.6755 300.3295 233.8519 259.2144 760806.6242 2.5005 2.2197 PRESSURE: 3075600 -41.7415 128.949 54.7726 128.949 51.1709 -143.776 54.7723 -143.777 177.969 GPRESSURE: 3075600 -1.93021 122.627 42.2602 35.03 42.4669 -161.508 103.072 -77.5945 225.645 PRESSAVG: 3075600 -23.269 -20.6745 30.4966 -20.6745 -50.6555 -66.9705 30.4967 -66.9705 1.30858 GPRESSAVG: 3075600 -23.2304 -21.968 29.4499 -18.576 -52.1075 -67.388 32.476 -67.0568 3.24661 TIMING: 3075600 CPU: 9783.43, 0.00323438/step Wall: 9783.43, 0.00323438/step, 1.72896 hours remaining, 240.039062 MB of memory in use. ENERGY: 3075600 3966.4263 20606.1116 14443.6164 255.3407 -203289.4694 2687.5282 0.0000 0.0000 52077.1876 -109253.2586 299.2883 -161330.4462 -108891.3197 299.6146 62.4663 88.7272 760152.9335 -24.2053 -24.0304 PRESSURE: 3075800 413.74 -270.982 309.525 -270.982 24.6057 -69.8482 309.524 -69.8479 171.845 GPRESSURE: 3075800 394.533 -91.7723 345.054 -272.093 136.115 -93.9606 92.4242 -128.263 170.345 PRESSAVG: 3075800 83.86 36.7096 39.7908 36.7096 -53.9037 -20.3285 39.7908 -20.3285 -2.48855 GPRESSAVG: 3075800 83.5608 37.505 39.4481 34.6294 -52.1577 -19.98 38.7811 -22.0468 -4.53052 TIMING: 3075800 CPU: 9784.08, 0.00321673/step Wall: 9784.08, 0.00321673/step, 1.71934 hours remaining, 240.039062 MB of memory in use. ENERGY: 3075800 4031.7045 20629.8112 14476.5009 235.6289 -203427.5033 2791.2924 0.0000 0.0000 52145.8824 -109116.6830 299.6831 -161262.5654 -108761.3274 299.9478 203.3969 233.6643 759799.0280 9.1559 8.9575 PRESSURE: 3076000 112.801 -58.0387 -148.212 -58.0388 364.033 -117.398 -148.211 -117.399 308.411 GPRESSURE: 3076000 181.841 93.2929 -182.23 -112.996 432.269 -126.482 -139.203 8.79413 241.801 PRESSAVG: 3076000 81.1425 5.39326 -21.8287 5.39327 -79.677 -48.4645 -21.8288 -48.4645 0.960579 GPRESSAVG: 3076000 81.3365 4.13958 -19.3932 4.93406 -79.1998 -50.7738 -21.2851 -46.1764 0.679379 TIMING: 3076000 CPU: 9784.71, 0.00318235/step Wall: 9784.71, 0.00318235/step, 1.70079 hours remaining, 240.039062 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: 3076000 3940.8225 20360.9111 14552.9620 242.4577 -203675.1735 2970.0389 0.0000 0.0000 52121.8219 -109486.1593 299.5448 -161607.9812 -109116.8702 299.7448 261.7484 285.3037 760680.6518 0.8087 0.9387 PRESSURE: 3076200 -112.862 -93.3068 -31.4288 -93.3072 213.388 58.0072 -31.429 58.0061 -89.0212 GPRESSURE: 3076200 11.2172 -121.565 53.9882 -101.392 202.422 30.6971 -35.9572 0.507503 -110.177 PRESSAVG: 3076200 91.2416 46.801 3.23244 46.8009 -101.305 -34.3575 3.23247 -34.3576 -0.343504 GPRESSAVG: 3076200 91.23 47.9129 1.34863 48.089 -101.733 -31.5881 3.68133 -37.4508 0.469684 TIMING: 3076200 CPU: 9785.35, 0.00319735/step Wall: 9785.35, 0.00319735/step, 1.70863 hours remaining, 240.039062 MB of memory in use. ENERGY: 3076200 4032.7809 20479.4398 14588.0599 258.7700 -203381.2885 2519.8883 0.0000 0.0000 52000.4704 -109501.8793 298.8474 -161502.3497 -109139.8853 299.0611 3.8349 34.4874 760918.6300 -3.4691 -3.3443 LDB: ============= START OF LOAD BALANCING ============== 9797.81 LDB: ============== END OF LOAD BALANCING =============== 9797.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9797.81 LDB: ============= START OF LOAD BALANCING ============== 9798.12 LDB: Largest compute 7070 load 0.036542 is 18.7% of average load 0.195457 LDB: Average compute 0.004379 is 2.2% of average load 0.195457 LDB: TIME 9798.13 LOAD: AVG 0.195457 MAX 0.212686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 9798.13 LOAD: AVG 0.195457 MAX 0.212686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: TIME 9798.13 LOAD: AVG 0.195457 MAX 0.212686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: ============== END OF LOAD BALANCING =============== 9798.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9798.14 PRESSURE: 3076400 414.888 -190.015 -201.161 -190.015 68.3763 30.9193 -201.16 30.9201 298.049 GPRESSURE: 3076400 390.117 -178.644 -245.704 -70.4977 159.046 -4.93527 -132.95 7.77276 310.628 PRESSAVG: 3076400 82.3336 31.1763 -32.7288 31.1764 -27.7288 -45.9767 -32.7287 -45.9766 30.9168 GPRESSAVG: 3076400 81.9721 31.8234 -32.4402 29.5631 -26.8244 -47.0223 -32.1371 -43.4207 30.2109 TIMING: 3076400 CPU: 9786, 0.00323318/step Wall: 9786, 0.00323318/step, 1.7276 hours remaining, 241.320312 MB of memory in use. ENERGY: 3076400 3968.1675 20415.4513 14607.0054 254.0346 -203662.2523 2712.4515 0.0000 0.0000 52245.8142 -109459.3279 300.2574 -161705.1420 -109092.3597 299.6292 260.4375 286.5968 760344.5515 28.5072 28.4529 PRESSURE: 3076600 295.424 -213.386 -46.8083 -213.386 80.16 46.3602 -46.8092 46.3597 -19.196 GPRESSURE: 3076600 257.51 -146.456 -145.164 -265.592 107.024 53.1268 25.0258 110.651 79.1878 PRESSAVG: 3076600 35.6517 5.59741 -16.521 5.59747 -31.1401 56.3844 -16.5209 56.3844 2.00393 GPRESSAVG: 3076600 35.2977 4.79729 -17.077 7.97582 -33.1004 55.6188 -17.3392 56.3848 4.03959 TIMING: 3076600 CPU: 9786.63, 0.00317425/step Wall: 9786.63, 0.00317425/step, 1.69593 hours remaining, 241.320312 MB of memory in use. ENERGY: 3076600 3918.6237 20561.2212 14496.3357 249.5018 -203703.5104 2811.3058 0.0000 0.0000 52088.9577 -109577.5645 299.3560 -161666.5222 -109210.2087 299.4643 118.7960 147.9071 760223.9841 2.1718 2.0790 PRESSURE: 3076800 -306.955 -46.9395 191.671 -46.9404 -94.6499 230.687 191.671 230.688 -209.516 GPRESSURE: 3076800 -108.011 5.01303 169.938 -16.4576 -140.475 235.979 231.978 225.342 -258.233 PRESSAVG: 3076800 -45.3366 -5.18187 2.13668 -5.18183 8.47271 60.2665 2.13668 60.2666 -9.79389 GPRESSAVG: 3076800 -44.2589 -4.32922 0.833648 -6.97078 8.46814 62.5196 2.8176 57.6483 -10.8391 TIMING: 3076800 CPU: 9787.27, 0.00317359/step Wall: 9787.27, 0.00317359/step, 1.6954 hours remaining, 241.320312 MB of memory in use. ENERGY: 3076800 3933.0838 20482.8642 14464.5949 272.9093 -203491.2051 2625.1532 0.0000 0.0000 52280.1392 -109432.4605 300.4547 -161712.5997 -109064.5670 299.1318 -203.7070 -168.9063 762636.2729 -15.5526 -15.5433 PRESSURE: 3077000 -388.389 -164.832 -13.1492 -164.832 13.1024 -128.588 -13.1495 -128.588 108.24 GPRESSURE: 3077000 -391.045 -231.87 20.2099 -145.489 41.8021 -176.002 -15.4942 34.6434 151.218 PRESSAVG: 3077000 15.3976 26.2381 -11.4833 26.2381 -4.7539 -4.85282 -11.4834 -4.85287 0.488816 GPRESSAVG: 3077000 15.058 26.2324 -8.66596 27.5327 -5.0077 -4.46879 -10.9279 -4.16578 0.979303 TIMING: 3077000 CPU: 9787.9, 0.00315154/step Wall: 9787.9, 0.00315154/step, 1.68345 hours remaining, 241.320312 MB of memory in use. ENERGY: 3077000 3955.9588 20440.3936 14448.9207 250.2512 -203005.1381 2392.1417 0.0000 0.0000 52048.8632 -109468.6090 299.1255 -161517.4722 -109101.1281 299.0854 -89.0155 -66.0083 762910.1716 3.7108 3.6765 PRESSURE: 3077200 172.909 199.704 -68.8278 199.704 -254.054 38.9502 -68.8278 38.9502 -129.974 GPRESSURE: 3077200 236.917 130.105 -42.9558 230.048 -199.297 116.134 -119.054 28.737 -144.994 PRESSAVG: 3077200 23.1824 69.6067 3.28837 69.6067 -37.2083 30.7525 3.2884 30.7525 12.6515 GPRESSAVG: 3077200 22.915 67.872 1.2859 69.1639 -36.0472 29.8866 3.73261 30.8169 11.9507 TIMING: 3077200 CPU: 9788.53, 0.00313062/step Wall: 9788.53, 0.00313062/step, 1.6721 hours remaining, 241.320312 MB of memory in use. ENERGY: 3077200 4021.2674 20374.3178 14517.3180 254.2655 -203522.3596 2808.9821 0.0000 0.0000 51851.6622 -109694.5465 297.9922 -161546.2087 -109339.5170 298.7319 -70.3728 -35.7913 759820.9566 -0.4581 -0.3938 PRESSURE: 3077400 -183.337 -125.256 49.2408 -125.256 -154.685 -6.54968 49.2413 -6.54869 168.239 GPRESSURE: 3077400 -194.767 -136.693 40.9439 -200.694 -77.7522 -3.83551 92.7775 -84.2479 164.788 PRESSAVG: 3077400 35.4304 72.8262 -17.9334 72.8261 -42.0619 8.97837 -17.9334 8.97835 16.9043 GPRESSAVG: 3077400 34.9485 72.5637 -17.619 73.8338 -41.3233 8.92294 -19.2812 9.35331 16.6229 TIMING: 3077400 CPU: 9789.15, 0.00312884/step Wall: 9789.15, 0.00312884/step, 1.67097 hours remaining, 241.320312 MB of memory in use. ENERGY: 3077400 4002.7552 20554.6549 14495.8998 237.8311 -203151.2976 2209.6758 0.0000 0.0000 51764.9074 -109885.5732 297.4936 -161650.4807 -109530.6872 298.5670 -56.5945 -35.9103 759223.7087 3.4243 3.4160 PRESSURE: 3077600 20.48 -20.1418 -106.501 -20.1415 35.4763 -136.199 -106.501 -136.199 -45.6353 GPRESSURE: 3077600 64.2791 -117.112 -79.2367 89.1299 -68.004 -119.829 10.9307 -208.004 121.38 PRESSAVG: 3077600 38.0185 16.0621 -10.7113 16.0621 -34.5743 14.8152 -10.7113 14.8153 9.9173 GPRESSAVG: 3077600 39.5445 16.0739 -10.7286 16.3454 -36.2816 13.6805 -9.49396 14.8534 10.1636 TIMING: 3077600 CPU: 9789.78, 0.00315094/step Wall: 9789.78, 0.00315094/step, 1.6826 hours remaining, 241.320312 MB of memory in use. ENERGY: 3077600 3905.1268 20513.6161 14454.7740 258.0807 -203430.7551 2468.0325 0.0000 0.0000 51957.8101 -109873.3149 298.6022 -161831.1250 -109508.6450 298.0855 3.4404 39.2183 760560.7528 4.4538 4.4755 PRESSURE: 3077800 -298.135 18.3038 -38.5213 18.3048 -100.506 60.5435 -38.5213 60.5431 -65.7233 GPRESSURE: 3077800 -248.88 17.4499 -112.36 -49.5788 53.077 33.5182 -3.461 -84.24 -176.808 PRESSAVG: 3077800 40.1998 35.2318 28.292 35.2318 -6.6062 1.81435 28.292 1.81433 20.3285 GPRESSAVG: 3077800 39.7171 36.2418 27.8093 32.1809 -7.15715 3.94979 27.2941 -0.163528 20.8229 TIMING: 3077800 CPU: 9790.41, 0.00313707/step Wall: 9790.41, 0.00313707/step, 1.67502 hours remaining, 241.320312 MB of memory in use. ENERGY: 3077800 3913.6111 20511.5737 14390.3313 263.4421 -203173.6877 2383.7092 0.0000 0.0000 52080.9810 -109630.0392 299.3101 -161711.0203 -109268.8207 298.9000 -154.7881 -124.2038 761614.4312 17.9740 17.7943 PRESSURE: 3078000 -188.124 -63.074 281.387 -63.0749 538.805 49.2649 281.387 49.2648 -227.73 GPRESSURE: 3078000 -133.942 -51.4401 194.893 17.8206 526.481 -0.385637 187.372 170.975 -195.144 PRESSAVG: 3078000 -10.9988 31.6883 -17.1444 31.6884 -10.1337 54.8305 -17.1444 54.8305 -8.39826 GPRESSAVG: 3078000 -10.2718 30.4224 -17.3749 34.1707 -9.30468 53.5326 -17.0755 56.6034 -9.12309 TIMING: 3078000 CPU: 9791.04, 0.00316304/step Wall: 9791.04, 0.00316304/step, 1.68871 hours remaining, 241.320312 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: 3078000 4007.8276 20419.7882 14483.8332 233.4773 -203041.3003 2407.8820 0.0000 0.0000 52045.0116 -109443.4804 299.1034 -161488.4919 -109077.9840 299.0370 40.9837 65.7980 760835.0500 -9.8436 -9.5665 PRESSURE: 3078200 1.69504 55.4518 -75.4578 55.4514 -389.897 -121.949 -75.4587 -121.949 24.0245 GPRESSURE: 3078200 57.8256 141.514 -86.557 20.154 -333.43 -20.4565 -80.6078 -167.765 15.3315 PRESSAVG: 3078200 66.1541 25.9349 -6.64937 25.9349 -22.7615 -22.5737 -6.64932 -22.5736 9.37384 GPRESSAVG: 3078200 65.4251 26.0326 -4.97316 25.4758 -22.5683 -21.5064 -6.8125 -22.9944 9.26095 TIMING: 3078200 CPU: 9791.67, 0.00313184/step Wall: 9791.67, 0.00313184/step, 1.67188 hours remaining, 241.320312 MB of memory in use. ENERGY: 3078200 4045.0768 20410.0877 14505.1843 252.3186 -203202.3968 2374.8646 0.0000 0.0000 52082.3062 -109532.5585 299.3177 -161614.8647 -109166.9108 299.7427 -121.3924 -86.7577 759769.1480 17.5888 17.3726 PRESSURE: 3078400 -404.643 192.388 -34.7991 192.388 -349.21 122.321 -34.7986 122.321 -198.738 GPRESSURE: 3078400 -295.855 68.4281 -134.471 231.608 -360.199 94.1545 45.7826 68.1305 -219.614 PRESSAVG: 3078400 41.3543 -9.88306 14.4648 -9.88299 -10.0574 -38.2199 14.4649 -38.2199 1.33757 GPRESSAVG: 3078400 41.3546 -9.40163 13.9826 -9.33289 -10.755 -38.6642 13.7774 -37.9707 2.06231 TIMING: 3078400 CPU: 9792.29, 0.00313013/step Wall: 9792.29, 0.00313014/step, 1.6708 hours remaining, 241.320312 MB of memory in use. ENERGY: 3078400 4079.1094 20466.7092 14469.5427 256.7418 -202821.5399 2117.8341 0.0000 0.0000 51969.6086 -109461.9942 298.6701 -161431.6029 -109104.3860 299.3508 -317.5302 -291.8897 761077.3058 10.8782 10.8873 PRESSURE: 3078600 627.709 165.497 -279.669 165.498 -394.041 -186.378 -279.67 -186.378 -278.301 GPRESSURE: 3078600 588.127 204.998 -298.22 177.738 -310.843 -124.709 -353.29 -199.292 -243.452 PRESSAVG: 3078600 68.8788 25.4395 -29.7339 25.4395 -88.7744 -3.31618 -29.7339 -3.31609 -8.17872 GPRESSAVG: 3078600 69.2163 26.08 -31.0451 23.5538 -88.7027 -1.78784 -30.7429 -4.39517 -8.84395 TIMING: 3078600 CPU: 9792.93, 0.00315863/step Wall: 9792.93, 0.00315863/step, 1.68583 hours remaining, 241.320312 MB of memory in use. ENERGY: 3078600 3959.3341 20563.0976 14465.9225 237.4279 -203052.6269 2296.9035 0.0000 0.0000 52117.4726 -109412.4686 299.5198 -161529.9413 -109040.2930 299.7413 -14.8777 11.2775 760630.2695 -9.3581 -9.4434 PRESSURE: 3078800 0.594371 -43.4802 147.893 -43.479 77.7352 -93.1539 147.894 -93.1543 -273.75 GPRESSURE: 3078800 29.5897 -2.45023 141.097 -65.5934 155.89 -167.826 121.037 -150.048 -274.329 PRESSAVG: 3078800 21.0526 41.9159 -26.649 41.9159 -37.642 -76.1952 -26.649 -76.1953 -24.7036 GPRESSAVG: 3078800 20.9399 41.9659 -25.6991 43.5943 -37.7475 -76.891 -28.0846 -74.9225 -24.7281 TIMING: 3078800 CPU: 9793.56, 0.00316978/step Wall: 9793.56, 0.00316978/step, 1.69161 hours remaining, 241.320312 MB of memory in use. ENERGY: 3078800 4025.6696 20554.5656 14455.0219 232.6892 -203338.7100 2510.8505 0.0000 0.0000 51895.4628 -109664.4503 298.2439 -161559.9131 -109302.6635 299.4513 -65.1401 -29.6164 760360.3941 -13.7643 -13.8452 PRESSURE: 3079000 -191.282 10.7015 247.509 10.7024 -270.3 43.2261 247.509 43.2253 97.3324 GPRESSURE: 3079000 -178.986 -19.9371 194.315 -32.8073 -211.921 44.8656 180.171 94.5218 116.219 PRESSAVG: 3079000 -14.7532 42.8893 63.5782 42.8894 18.8569 -40.2786 63.5782 -40.2786 -14.6196 GPRESSAVG: 3079000 -16.1937 42.0258 64.3687 43.9059 20.3879 -40.2466 66.8531 -41.0714 -14.5335 TIMING: 3079000 CPU: 9794.19, 0.00317729/step Wall: 9794.19, 0.00317729/step, 1.69544 hours remaining, 241.320312 MB of memory in use. ENERGY: 3079000 3978.4982 20566.9517 14487.8848 239.1625 -203196.6884 2456.8967 0.0000 0.0000 51830.8420 -109636.4526 297.8726 -161467.2946 -109267.4505 298.7176 -121.4165 -91.5627 761603.4493 -3.5053 -3.4464 PRESSURE: 3079200 47.4633 85.5682 188.159 85.5681 223.056 226.11 188.159 226.11 -32.5494 GPRESSURE: 3079200 83.1056 81.7511 104.595 -19.9976 128.506 229.792 142.275 239.645 88.6239 PRESSAVG: 3079200 31.578 39.6209 21.4918 39.6209 -5.47851 -9.34781 21.4918 -9.34783 3.8232 GPRESSAVG: 3079200 32.5661 39.2058 20.8078 37.587 -8.24163 -8.38179 19.8901 -9.80425 5.0568 TIMING: 3079200 CPU: 9794.83, 0.00315761/step Wall: 9794.83, 0.00315761/step, 1.68476 hours remaining, 241.320312 MB of memory in use. ENERGY: 3079200 3961.9538 20616.9864 14510.2146 255.0717 -203225.1884 2235.2826 0.0000 0.0000 52120.0164 -109525.6629 299.5345 -161645.6794 -109162.0988 299.2450 79.3234 100.0786 759620.3618 9.9742 9.7937 PRESSURE: 3079400 -87.2126 289.944 -274.236 289.945 35.0328 -47.4412 -274.236 -47.4412 157.785 GPRESSURE: 3079400 -32.0786 218.002 -305.094 290.837 94.7519 56.9398 -230.075 -133.413 122.71 PRESSAVG: 3079400 73.2893 41.5013 10.6996 41.5013 -34.3674 -67.5132 10.6997 -67.5132 -15.0475 GPRESSAVG: 3079400 72.6432 41.4209 11.2785 43.5939 -32.0576 -68.5348 11.094 -66.7956 -16.1701 TIMING: 3079400 CPU: 9795.46, 0.0031539/step Wall: 9795.46, 0.0031539/step, 1.6826 hours remaining, 241.320312 MB of memory in use. ENERGY: 3079400 4018.4861 20602.7124 14465.9819 267.4621 -203316.4687 2343.4323 0.0000 0.0000 52150.2953 -109468.0985 299.7085 -161618.3938 -109115.2562 299.8094 35.2017 61.7944 759328.0949 7.9581 8.1385 PRESSURE: 3079600 -86.015 -112.809 -121.963 -112.808 108.513 91.7414 -121.964 91.7417 -183.377 GPRESSURE: 3079600 -27.0881 -0.62027 -9.2655 -112.587 106.262 124.536 -67.4406 249.289 -151.251 PRESSAVG: 3079600 15.0757 5.3691 -1.22992 5.36908 39.5215 12.0112 -1.22997 12.0112 -3.18472 GPRESSAVG: 3079600 16.5416 7.09253 -1.54611 4.48814 37.0705 11.6638 1.18376 13.2836 -1.96168 TIMING: 3079600 CPU: 9796.09, 0.0031552/step Wall: 9796.09, 0.0031552/step, 1.68312 hours remaining, 241.320312 MB of memory in use. ENERGY: 3079600 3905.0639 20636.8052 14461.2128 248.6397 -203512.0416 2592.7766 0.0000 0.0000 52204.4867 -109463.0569 300.0199 -161667.5435 -109100.0279 299.9850 -53.6263 -24.0254 758598.3191 17.1375 17.2168 PRESSURE: 3079800 122.203 263.956 -185.386 263.956 -118.406 -175.924 -185.386 -175.925 0.911984 GPRESSURE: 3079800 65.7419 158.274 -261.421 213.707 -16.0331 -154.188 -170.219 -99.8888 27.9832 PRESSAVG: 3079800 0.247504 46.8511 -22.2653 46.851 24.3037 -33.9923 -22.2653 -33.9923 3.68707 GPRESSAVG: 3079800 -1.63777 47.1726 -20.7666 45.9142 26.9983 -32.6559 -24.5518 -36.3111 3.10407 TIMING: 3079800 CPU: 9796.72, 0.00315463/step Wall: 9796.72, 0.00315463/step, 1.68264 hours remaining, 241.320312 MB of memory in use. ENERGY: 3079800 3981.5736 20598.2997 14398.2531 262.1828 -202827.4918 2029.0475 0.0000 0.0000 52090.5166 -109467.6185 299.3649 -161558.1351 -109096.9856 299.8482 1.5698 25.8973 760729.4344 9.4128 9.4882 PRESSURE: 3080000 -71.8394 -58.513 97.8102 -58.5126 -198.162 -13.6356 97.8096 -13.6344 -99.1036 GPRESSURE: 3080000 -79.6765 -25.8411 63.6956 -142.336 -99.0012 -10.0342 150.627 12.1991 -87.5959 PRESSAVG: 3080000 8.87407 5.43336 -38.1169 5.43342 23.9809 3.74081 -38.1169 3.74075 -7.53762 GPRESSAVG: 3080000 9.60761 4.19278 -39.3021 6.29354 24.1095 3.7259 -37.123 3.16651 -8.39123 TIMING: 3080000 CPU: 9797.35, 0.00316355/step Wall: 9797.35, 0.00316355/step, 1.68723 hours remaining, 241.320312 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: 3080000 3975.7701 20487.4275 14467.2152 256.3272 -202987.3845 2042.3804 0.0000 0.0000 52342.1192 -109416.1449 300.8109 -161758.2641 -109055.1705 300.1960 -123.0350 -88.7579 759077.6987 8.4391 8.4420 PRESSURE: 3080200 -71.2622 132.706 95.3442 132.706 -40.3769 158.838 95.344 158.838 146.351 GPRESSURE: 3080200 20.942 118.776 59.2521 92.5888 -17.9627 108.376 48.1608 160.36 126.847 PRESSAVG: 3080200 -5.89687 42.5798 4.88936 42.5799 12.9429 -11.6172 4.88931 -11.6172 16.34 GPRESSAVG: 3080200 -6.25554 43.4144 6.84837 41.0963 11.8712 -14.0147 2.71568 -9.8838 17.179 TIMING: 3080200 CPU: 9797.99, 0.0031654/step Wall: 9797.99, 0.0031654/step, 1.68804 hours remaining, 241.320312 MB of memory in use. ENERGY: 3080200 3974.5695 20531.2292 14466.0230 272.0665 -203397.7054 2532.2542 0.0000 0.0000 52107.3353 -109514.2278 299.4616 -161621.5630 -109143.4568 299.5752 11.5705 43.2753 759850.0836 7.7953 7.5982 LDB: ============= START OF LOAD BALANCING ============== 9810.44 LDB: ============== END OF LOAD BALANCING =============== 9810.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9810.44 LDB: ============= START OF LOAD BALANCING ============== 9810.76 LDB: Largest compute 7070 load 0.036568 is 18.7% of average load 0.195283 LDB: Average compute 0.004404 is 2.3% of average load 0.195283 LDB: TIME 9810.76 LOAD: AVG 0.195283 MAX 0.213254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 9810.76 LOAD: AVG 0.195283 MAX 0.213254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 9810.76 LOAD: AVG 0.195283 MAX 0.213254 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 9810.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9810.77 PRESSURE: 3080400 -202.255 2.65665 -136.538 2.65665 -147.556 33.2547 -136.538 33.255 -180.122 GPRESSURE: 3080400 -118.25 -116.684 -133.596 -95.6244 -162.737 -20.0389 -93.4161 30.8822 -149.941 PRESSAVG: 3080400 26.4271 -16.4177 -16.38 -16.4176 -6.48679 -3.24282 -16.38 -3.24278 16.8937 GPRESSAVG: 3080400 27.3165 -18.4386 -16.2097 -15.2694 -7.44432 -2.74898 -17.5269 -1.41996 17.4386 TIMING: 3080400 CPU: 9798.63, 0.00322706/step Wall: 9798.63, 0.00322706/step, 1.72074 hours remaining, 239.324219 MB of memory in use. ENERGY: 3080400 4002.0730 20565.3949 14451.9608 250.0232 -202750.2909 2039.8041 0.0000 0.0000 52079.0072 -109362.0276 299.2988 -161441.0348 -108996.0316 299.6404 -176.6440 -143.6429 760356.5390 12.2780 12.4369 PRESSURE: 3080600 -87.1846 -174.378 31.9724 -174.378 -221.694 -66.7001 31.9726 -66.7009 222.881 GPRESSURE: 3080600 -14.481 -193.12 -63.4223 -126.117 -232.94 -9.16263 14.2096 -190.375 255.19 PRESSAVG: 3080600 32.893 10.6123 30.1365 10.6123 -56.6899 -30.9457 30.1366 -30.9458 -15.8863 GPRESSAVG: 3080600 31.9931 13.623 28.7565 8.69784 -55.5158 -30.9144 33.9462 -34.9022 -16.0373 TIMING: 3080600 CPU: 9799.27, 0.00318337/step Wall: 9799.27, 0.00318337/step, 1.69727 hours remaining, 239.527344 MB of memory in use. ENERGY: 3080600 4060.8468 20431.1773 14501.1743 271.2607 -203040.5432 2226.5185 0.0000 0.0000 52030.9397 -109518.6260 299.0225 -161549.5657 -109146.5393 299.9666 -28.6658 2.5895 760184.4060 -13.2277 -13.1867 PRESSURE: 3080800 249.154 83.6193 -6.59952 83.6188 -79.2882 -124.341 -6.59895 -124.341 -19.5318 GPRESSURE: 3080800 230.184 87.2891 13.6052 72.8352 23.0227 -167.404 -81.6603 -69.5905 -40.4171 PRESSAVG: 3080800 17.8737 14.8866 -23.8909 14.8865 -20.3931 -22.2944 -23.8909 -22.2944 45.3825 GPRESSAVG: 3080800 17.9848 14.562 -24.4046 15.5685 -19.4835 -20.4913 -25.4235 -20.176 44.5619 TIMING: 3080800 CPU: 9799.9, 0.00315315/step Wall: 9799.9, 0.00315315/step, 1.68098 hours remaining, 239.527344 MB of memory in use. ENERGY: 3080800 3964.9094 20548.2573 14511.1941 245.9615 -203375.3946 2462.4188 0.0000 0.0000 52184.7144 -109457.9392 299.9063 -161642.6536 -109096.3844 299.1561 50.1112 70.9298 761969.4858 14.2877 14.3544 PRESSURE: 3081000 -30.7131 3.31201 61.753 3.31176 -189.786 68.176 61.7541 68.1766 359.064 GPRESSURE: 3081000 -17.3586 -14.1112 57.5832 -40.3325 -63.6888 30.859 166.031 235.927 302.164 PRESSAVG: 3081000 84.647 3.39618 48.9977 3.39615 -19.6143 52.2154 48.9977 52.2154 1.40246 GPRESSAVG: 3081000 84.7413 3.05314 49.8809 2.98647 -20.201 50.6355 47.8049 51.8306 1.81133 TIMING: 3081000 CPU: 9800.53, 0.00316504/step Wall: 9800.53, 0.00316504/step, 1.68714 hours remaining, 239.527344 MB of memory in use. ENERGY: 3081000 4009.8946 20428.2304 14492.3870 239.1852 -203539.7436 2599.8148 0.0000 0.0000 52150.9427 -109619.2889 299.7122 -161770.2316 -109252.9374 299.3585 46.1884 73.7054 760651.3879 22.1451 22.1172 PRESSURE: 3081200 -175.636 -123.598 -6.90913 -123.598 -67.0938 -32.1229 -6.9099 -32.1231 -421.219 GPRESSURE: 3081200 -215.009 -93.6201 32.4649 -36.1675 56.8241 -8.611 -87.5044 -52.6061 -418.254 PRESSAVG: 3081200 19.9294 -47.0382 8.87475 -47.0381 -34.591 -48.794 8.87477 -48.7941 -17.2515 GPRESSAVG: 3081200 19.2542 -47.6525 8.62724 -45.9097 -34.9826 -47.532 10.4055 -49.0871 -16.3344 TIMING: 3081200 CPU: 9801.16, 0.00316469/step Wall: 9801.16, 0.00316469/step, 1.68678 hours remaining, 239.527344 MB of memory in use. ENERGY: 3081200 3956.7277 20587.0800 14376.9742 244.2554 -202911.4745 2136.9129 0.0000 0.0000 52226.8595 -109382.6649 300.1485 -161609.5243 -109017.0055 299.2311 -221.3160 -192.1463 763471.7292 -10.6377 -10.6876 PRESSURE: 3081400 -113.769 -30.5556 -92.9926 -30.5552 -72.4256 8.70736 -92.9926 8.70715 60.4055 GPRESSURE: 3081400 -166.714 -92.6254 -84.5193 52.3099 70.065 85.7927 -156.679 -3.19616 55.6354 PRESSAVG: 3081400 -5.92188 -17.9293 -70.0034 -17.9293 -28.352 -13.6937 -70.0034 -13.6938 28.3122 GPRESSAVG: 3081400 -6.70516 -18.3242 -69.8365 -16.3346 -28.0205 -13.3793 -70.3827 -13.1193 28.1965 TIMING: 3081400 CPU: 9801.8, 0.00317788/step Wall: 9801.8, 0.00317788/step, 1.69363 hours remaining, 239.527344 MB of memory in use. ENERGY: 3081400 4050.4168 20543.6225 14443.5771 244.9695 -203749.3010 2964.4544 0.0000 0.0000 52192.3018 -109309.9588 299.9499 -161502.2606 -108950.1615 299.5251 -41.9298 -13.6711 762755.1120 -1.9872 -2.1764 PRESSURE: 3081600 -51.9692 41.7465 -119.599 41.7463 104.613 51.705 -119.6 51.7039 21.6233 GPRESSURE: 3081600 -3.14773 -21.2369 -75.2794 35.5071 180.643 -1.8616 -155.925 -15.5947 -4.14604 PRESSAVG: 3081600 22.6643 -7.61458 -26.3649 -7.6146 -51.4972 -60.5057 -26.3649 -60.5056 -9.76255 GPRESSAVG: 3081600 23.3018 -8.68625 -26.9585 -8.61039 -51.881 -61.8643 -24.854 -60.5893 -10.9612 TIMING: 3081600 CPU: 9802.43, 0.00317389/step Wall: 9802.43, 0.00317389/step, 1.69133 hours remaining, 239.527344 MB of memory in use. ENERGY: 3081600 3960.3389 20616.1299 14528.6265 254.6162 -203656.9998 2878.5791 0.0000 0.0000 52112.2114 -109306.4979 299.4896 -161418.7093 -108947.1855 299.3857 24.7557 57.7832 761749.9329 -12.8651 -13.1801 PRESSURE: 3081800 -345.122 -231.086 70.6043 -231.085 192.66 -2.45041 70.6042 -2.45058 -362.827 GPRESSURE: 3081800 -300.697 -197.584 75.0508 -229.21 116.255 -21.6215 57.7572 -139.903 -248.084 PRESSAVG: 3081800 16.8107 -2.18902 -26.091 -2.18897 -35.837 2.79756 -26.091 2.79744 10.5264 GPRESSAVG: 3081800 15.9851 -2.58914 -23.8174 -1.97944 -35.1278 2.90904 -26.3773 3.09853 11.4694 TIMING: 3081800 CPU: 9803.07, 0.00317482/step Wall: 9803.07, 0.00317482/step, 1.69165 hours remaining, 239.527344 MB of memory in use. ENERGY: 3081800 3980.4350 20405.3336 14496.5546 249.7444 -202580.0412 2164.6791 0.0000 0.0000 51942.6017 -109340.6930 298.5148 -161283.2947 -108980.2971 299.9754 -171.7633 -144.1751 761388.6787 -2.8333 -2.5578 PRESSURE: 3082000 52.6062 34.6284 -15.8816 34.6281 -24.573 -74.3456 -15.8817 -74.3463 -335.171 GPRESSURE: 3082000 61.0704 22.2105 -38.6218 -14.9075 -56.5959 -45.6941 -76.8032 -40.2994 -211.116 PRESSAVG: 3082000 -29.5439 -21.1385 -36.8776 -21.1385 43.8047 -61.7556 -36.8777 -61.7556 -10.1192 GPRESSAVG: 3082000 -27.8434 -18.0809 -38.2288 -22.4941 42.6906 -61.2151 -37.9559 -62.3689 -10.1664 TIMING: 3082000 CPU: 9803.71, 0.00319076/step Wall: 9803.71, 0.00319076/step, 1.69997 hours remaining, 239.527344 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: 3082000 4000.3113 20449.9683 14495.2184 235.0244 -203241.9382 2568.5941 0.0000 0.0000 52290.6771 -109202.1446 300.5152 -161492.8217 -108838.2521 299.5679 -102.3793 -68.8805 761493.3792 1.3806 1.5603 PRESSURE: 3082200 91.538 -12.1664 46.1413 -12.1666 107.761 -43.9334 46.1412 -43.9327 -70.9432 GPRESSURE: 3082200 148.022 -20.2963 5.94252 -25.1852 212.677 -4.71726 78.2079 16.9004 -155.037 PRESSAVG: 3082200 2.09951 -36.7569 3.75871 -36.757 -15.722 -65.3382 3.7587 -65.3382 -4.42605 GPRESSAVG: 3082200 0.564796 -37.6368 2.63458 -37.1671 -15.2812 -64.6806 3.86774 -63.0168 -3.552 TIMING: 3082200 CPU: 9804.34, 0.00317256/step Wall: 9804.34, 0.00317256/step, 1.6901 hours remaining, 239.527344 MB of memory in use. ENERGY: 3082200 3976.8270 20513.6707 14444.9610 234.6843 -203453.1783 2765.7466 0.0000 0.0000 52175.5972 -109341.6915 299.8539 -161517.2887 -108978.0303 300.3985 42.7854 68.5541 761447.9607 -6.0162 -6.0895 PRESSURE: 3082400 -155.924 1.1234 -13.1088 1.12228 72.4708 1.11417 -13.1088 1.11457 -24.0787 GPRESSURE: 3082400 -64.4459 27.4198 -79.9043 76.1207 81.1311 23.1757 11.0707 -123.255 -28.4645 PRESSAVG: 3082400 43.9897 9.72935 10.5959 9.72931 -36.2162 -49.6228 10.5959 -49.6228 1.19018 GPRESSAVG: 3082400 44.3753 8.30398 11.3628 11.4793 -36.066 -50.9216 10.5851 -52.0408 0.363947 TIMING: 3082400 CPU: 9804.97, 0.00315767/step Wall: 9804.97, 0.00315767/step, 1.68199 hours remaining, 239.527344 MB of memory in use. ENERGY: 3082400 3991.3817 20506.0325 14522.3346 229.9732 -203386.6902 2582.9950 0.0000 0.0000 52133.3610 -109420.6123 299.6111 -161553.9733 -109060.7238 299.7117 -35.8441 -3.9264 761522.5786 2.9879 2.8911 PRESSURE: 3082600 18.1899 -25.3112 -105.761 -25.3111 -63.321 -264.451 -105.761 -264.45 -108.957 GPRESSURE: 3082600 74.0082 -90.1631 -147.257 -107.079 23.8637 -219.193 12.237 -328.955 -162.144 PRESSAVG: 3082600 8.39932 -34.2486 -61.1463 -34.2485 -13.6428 -74.6192 -61.1463 -74.6192 6.87504 GPRESSAVG: 3082600 8.66438 -32.9092 -60.4283 -35.0747 -14.1808 -74.7401 -61.0899 -71.8191 6.86021 TIMING: 3082600 CPU: 9805.61, 0.00317285/step Wall: 9805.61, 0.00317285/step, 1.68989 hours remaining, 239.527344 MB of memory in use. ENERGY: 3082600 4021.7186 20600.3888 14500.7356 243.7535 -203779.8285 2746.4651 0.0000 0.0000 52166.4009 -109500.3660 299.8010 -161666.7668 -109139.7104 299.7104 -51.3626 -21.4241 761325.1305 0.5439 0.4479 PRESSURE: 3082800 72.6332 -108.232 -122.653 -108.233 -137.287 -88.9045 -122.652 -88.9037 -91.8755 GPRESSURE: 3082800 110.908 -37.0923 -131.465 -128.312 -151.181 -171.756 -126.102 -7.95732 -27.7121 PRESSAVG: 3082800 22.6668 4.92188 -15.5647 4.92191 -41.1788 -5.64748 -15.5647 -5.64741 -3.7221 GPRESSAVG: 3082800 22.2421 3.62808 -15.6136 4.52258 -41.1822 -4.30156 -16.2104 -8.99302 -3.82296 TIMING: 3082800 CPU: 9806.24, 0.00316064/step Wall: 9806.24, 0.00316064/step, 1.68322 hours remaining, 239.527344 MB of memory in use. ENERGY: 3082800 4020.6799 20615.7147 14498.8795 257.1428 -202938.7087 2393.8872 0.0000 0.0000 52021.1791 -109131.2256 298.9664 -161152.4047 -108767.7805 299.9236 -52.1762 -22.6617 761761.1071 -7.4114 -7.5877 PRESSURE: 3083000 -338.707 -129.109 -127.666 -129.108 -303.75 73.9467 -127.665 73.9464 -81.0468 GPRESSURE: 3083000 -169.684 -83.3187 -175.694 -125.501 -313.298 180.79 0.614266 161.366 -144.683 PRESSAVG: 3083000 -2.8727 -15.6949 -41.5242 -15.6948 -11.9212 23.7104 -41.5242 23.7103 -9.2964 GPRESSAVG: 3083000 -3.34225 -12.4677 -41.4089 -17.5184 -11.0378 23.1497 -40.5491 25.7634 -9.68487 TIMING: 3083000 CPU: 9806.87, 0.00317277/step Wall: 9806.87, 0.00317277/step, 1.6895 hours remaining, 239.527344 MB of memory in use. ENERGY: 3083000 3999.7685 20481.0731 14466.9506 248.9589 -202697.9873 2143.1205 0.0000 0.0000 52332.8518 -109025.2639 300.7576 -161358.1156 -108663.3274 300.3802 -241.1678 -209.2217 763007.9704 -8.0301 -8.0217 PRESSURE: 3083200 -180.75 -162.214 -68.3893 -162.214 -244.962 -138.45 -68.3887 -138.45 -232.255 GPRESSURE: 3083200 -230.879 -165.385 -96.3102 -171.634 -86.2716 -161.286 -67.6439 -193.329 -246.096 PRESSAVG: 3083200 -34.5382 -49.8291 -9.05117 -49.8291 24.315 -22.0933 -9.05115 -22.0933 3.44895 GPRESSAVG: 3083200 -33.9198 -50.5107 -9.79193 -48.3627 23.4327 -21.5621 -8.53681 -23.1861 3.24869 TIMING: 3083200 CPU: 9807.51, 0.00315456/step Wall: 9807.51, 0.00315456/step, 1.67963 hours remaining, 239.527344 MB of memory in use. ENERGY: 3083200 4001.7177 20478.6890 14589.3444 260.2606 -202984.6202 2391.0991 0.0000 0.0000 52136.2897 -109127.2197 299.6280 -161263.5094 -108763.9523 299.7705 -219.3222 -187.7490 760888.0512 -2.2581 -2.4128 PRESSURE: 3083400 -81.6629 -363.484 -232.905 -363.485 123.976 -26.0862 -232.904 -26.0859 -420.339 GPRESSURE: 3083400 -58.2476 -296.033 -200.801 -348.46 157.33 9.03704 -25.987 -32.7738 -410.474 PRESSAVG: 3083400 -53.0452 -79.3397 -37.7272 -79.3397 40.7355 -11.4536 -37.7272 -11.4536 17.4359 GPRESSAVG: 3083400 -54.3122 -80.1358 -36.8559 -77.5865 40.5744 -10.8635 -39.6397 -10.6059 18.4443 TIMING: 3083400 CPU: 9808.14, 0.00314978/step Wall: 9808.14, 0.00314978/step, 1.67691 hours remaining, 239.527344 MB of memory in use. ENERGY: 3083400 4024.6457 20623.0528 14535.1003 262.4227 -202881.2712 2213.0636 0.0000 0.0000 51905.0724 -109317.9136 298.2992 -161222.9860 -108962.1772 299.9196 -126.0087 -103.7973 762501.9883 1.7087 1.5688 PRESSURE: 3083600 -217.692 221.025 -75.633 221.025 54.3616 9.83172 -75.6328 9.83172 -250.889 GPRESSURE: 3083600 -127.45 339.974 -77.6327 213.152 50.6525 34.3119 -56.3847 32.2521 -281.816 PRESSAVG: 3083600 30.1392 56.7459 -19.67 56.7459 5.60938 -86.8805 -19.6701 -86.8806 -16.876 GPRESSAVG: 3083600 31.3791 56.2406 -20.8137 57.1367 5.40456 -87.8752 -18.4553 -88.2421 -18.4825 TIMING: 3083600 CPU: 9808.77, 0.00317065/step Wall: 9808.77, 0.00317065/step, 1.68784 hours remaining, 239.527344 MB of memory in use. ENERGY: 3083600 3895.7878 20690.4641 14552.1325 256.7081 -203069.5679 2458.6641 0.0000 0.0000 51915.6996 -109300.1116 298.3602 -161215.8112 -108942.7962 299.6527 -138.0733 -119.5380 761150.6800 6.2909 6.1004 PRESSURE: 3083800 464.669 -129.746 -231.048 -129.746 49.954 22.5673 -231.047 22.567 151.707 GPRESSURE: 3083800 393.197 -108.012 -271.55 -223.671 108.057 70.6708 -141.524 20.2072 248.524 PRESSAVG: 3083800 40.6962 53.4099 -0.86369 53.4099 -14.2428 -13.4434 -0.863603 -13.4434 12.4593 GPRESSAVG: 3083800 39.9387 53.2854 -0.734574 51.1068 -14.3953 -14.0371 -2.83941 -12.4865 13.8784 TIMING: 3083800 CPU: 9809.4, 0.00316808/step Wall: 9809.4, 0.00316808/step, 1.6863 hours remaining, 239.527344 MB of memory in use. ENERGY: 3083800 4010.1796 20545.5993 14474.0633 240.7601 -203534.9591 2660.3910 0.0000 0.0000 52151.1447 -109452.8210 299.7133 -161603.9658 -109100.6007 299.5399 222.1099 249.9262 761059.1138 12.9709 13.1406 PRESSURE: 3084000 83.248 199.708 -133.794 199.708 -87.8213 -52.6923 -133.794 -52.6911 205.006 GPRESSURE: 3084000 173.78 226.488 -157.32 174.141 -24.9842 -94.2475 -59.1996 -91.8886 154.164 PRESSAVG: 3084000 -21.5109 48.0206 -61.9425 48.0206 41.946 -4.2706 -61.9425 -4.27068 13.6927 GPRESSAVG: 3084000 -21.929 46.4938 -61.9896 48.5055 41.8879 -3.69209 -60.2993 -4.12506 14.1255 TIMING: 3084000 CPU: 9810.04, 0.00319496/step Wall: 9810.04, 0.00319496/step, 1.70043 hours remaining, 239.527344 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: 3084000 3970.2725 20342.7323 14494.6386 253.4253 -203492.8404 2498.9352 0.0000 0.0000 52234.9112 -109697.9253 300.1948 -161932.8365 -109321.8193 299.4370 66.8110 100.9866 761122.3470 11.3759 11.3614 PRESSURE: 3084200 -22.8389 -188.733 105.047 -188.733 -180.82 -23.5006 105.047 -23.5007 -171.069 GPRESSURE: 3084200 -18.5659 -224.502 199.469 -128.122 -119.19 -47.5755 137.216 6.08826 -168.594 PRESSAVG: 3084200 -45.8632 -23.8261 33.501 -23.8261 32.1709 -0.618146 33.5009 -0.618125 -7.47849 GPRESSAVG: 3084200 -44.9239 -20.1928 34.2589 -25.7218 31.6852 0.323669 33.965 -1.20766 -8.21335 TIMING: 3084200 CPU: 9810.68, 0.00318906/step Wall: 9810.68, 0.00318906/step, 1.69711 hours remaining, 239.527344 MB of memory in use. ENERGY: 3084200 3945.9653 20406.0945 14475.5172 240.8422 -203117.8702 2252.4830 0.0000 0.0000 52157.9580 -109639.0100 299.7525 -161796.9680 -109274.4196 299.0570 -124.9093 -102.1164 760580.8068 -7.0569 -7.1507 LDB: ============= START OF LOAD BALANCING ============== 9823.14 LDB: ============== END OF LOAD BALANCING =============== 9823.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.14 LDB: ============= START OF LOAD BALANCING ============== 9823.46 LDB: Largest compute 7034 load 0.037998 is 19.5% of average load 0.195337 LDB: Average compute 0.004396 is 2.3% of average load 0.195337 LDB: TIME 9823.47 LOAD: AVG 0.195337 MAX 0.213344 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9823.47 LOAD: AVG 0.195337 MAX 0.213344 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 9823.47 LOAD: AVG 0.195337 MAX 0.213344 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 9823.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9823.47 PRESSURE: 3084400 57.3158 -1.08783 46.1703 -1.08738 122.509 81.4456 46.1703 81.4451 -118.984 GPRESSURE: 3084400 71.8343 -43.3408 59.9566 -57.6391 184.257 146.262 27.1815 79.5563 -132.094 PRESSAVG: 3084400 107.971 -10.0734 -9.57205 -10.0734 -58.6617 23.9312 -9.57204 23.9313 29.5073 GPRESSAVG: 3084400 106.224 -10.8786 -10.5636 -8.45465 -57.0609 24.903 -11.1695 24.4126 29.6134 TIMING: 3084400 CPU: 9811.34, 0.00328679/step Wall: 9811.34, 0.00328679/step, 1.74894 hours remaining, 239.835938 MB of memory in use. ENERGY: 3084400 3900.7320 20381.8883 14492.8047 226.7797 -203379.1906 2563.5568 0.0000 0.0000 52346.1783 -109467.2508 300.8342 -161813.4291 -109098.4695 299.3183 20.2804 41.3325 759128.2511 26.2722 26.2588 PRESSURE: 3084600 93.3329 155.369 -15.6883 155.369 -153.434 -108.055 -15.6883 -108.055 298.937 GPRESSURE: 3084600 120.794 34.9011 18.9905 120.45 -89.5377 -48.2329 -37.293 -5.11956 283.768 PRESSAVG: 3084600 -11.5638 17.3635 -19.6016 17.3635 1.64255 12.3655 -19.6017 12.3655 7.63387 GPRESSAVG: 3084600 -11.3033 16.3114 -18.2425 16.7483 1.19632 11.3358 -21.233 11.7226 7.58534 TIMING: 3084600 CPU: 9811.98, 0.00319965/step Wall: 9811.98, 0.00319965/step, 1.70239 hours remaining, 239.835938 MB of memory in use. ENERGY: 3084600 3856.7616 20523.4962 14485.3255 256.6234 -202880.9947 2265.2100 0.0000 0.0000 52026.8224 -109466.7557 298.9989 -161493.5780 -109111.1774 299.3861 79.6120 105.0083 761195.9210 -0.7624 -0.8406 PRESSURE: 3084800 -71.16 -64.0891 17.0574 -64.09 -222.705 37.8988 17.0574 37.8981 79.4335 GPRESSURE: 3084800 -49.6322 -53.9778 76.3269 -51.1369 -149.642 17.3183 -23.7466 83.9621 69.554 PRESSAVG: 3084800 41.4065 16.8245 -13.6311 16.8244 -30.3098 52.2821 -13.6311 52.282 -3.57069 GPRESSAVG: 3084800 41.1574 15.1493 -14.5145 19.2838 -30.67 50.9228 -11.1297 53.4632 -2.79673 TIMING: 3084800 CPU: 9812.62, 0.00322829/step Wall: 9812.62, 0.00322829/step, 1.71745 hours remaining, 239.835938 MB of memory in use. ENERGY: 3084800 3954.7945 20547.4924 14395.9262 246.8551 -203386.7662 2654.2623 0.0000 0.0000 51861.8090 -109725.6267 298.0505 -161587.4357 -109369.1658 298.6765 -71.4772 -43.2400 760624.5669 2.5087 2.5636 PRESSURE: 3085000 14.0096 81.4472 -47.9107 81.4472 -297.587 21.5935 -47.911 21.5928 -280.669 GPRESSURE: 3085000 -32.9889 45.3027 35.7645 104.677 -241.21 10.3768 -118.149 -60.5917 -221.035 PRESSAVG: 3085000 26.5151 29.0603 -58.67 29.0603 -31.2826 -1.38172 -58.67 -1.38169 -13.0656 GPRESSAVG: 3085000 28.3599 30.1262 -56.6918 29.127 -31.853 -1.24292 -59.8671 -3.59555 -14.7132 TIMING: 3085000 CPU: 9813.26, 0.00316401/step Wall: 9813.26, 0.00316401/step, 1.68308 hours remaining, 239.835938 MB of memory in use. ENERGY: 3085000 4008.4691 20448.8075 14465.9816 227.9967 -203241.6031 2427.5777 0.0000 0.0000 52018.4418 -109644.3287 298.9507 -161662.7705 -109285.1372 298.9785 -188.0822 -165.0780 761840.5140 -5.9444 -6.0687 PRESSURE: 3085200 -2.55611 -218.131 -10.0079 -218.131 -386.315 -182.572 -10.0082 -182.572 -164.033 GPRESSURE: 3085200 1.42368 -295.006 -20.7373 -222.492 -386.347 -250.608 53.0511 -137.383 -65.5916 PRESSAVG: 3085200 23.8656 2.05091 -8.88916 2.05099 -28.0053 -28.1145 -8.8892 -28.1145 11.109 GPRESSAVG: 3085200 23.7105 1.58542 -8.83954 -0.141135 -28.2778 -27.07 -10.3965 -27.2677 11.0257 TIMING: 3085200 CPU: 9813.89, 0.00316931/step Wall: 9813.89, 0.00316931/step, 1.68572 hours remaining, 239.835938 MB of memory in use. ENERGY: 3085200 3948.2320 20505.0873 14454.8930 237.3706 -202885.3179 2128.2414 0.0000 0.0000 52104.5108 -109506.9828 299.4453 -161611.4935 -109151.1526 299.0748 -184.3014 -150.1716 760936.9279 2.3231 2.1528 PRESSURE: 3085400 -215.849 105.291 -149.9 105.291 45.2851 -18.1413 -149.9 -18.1418 103.026 GPRESSURE: 3085400 -127.547 58.9257 -99.1976 134.916 13.5817 43.7438 -146.211 -5.93363 142.265 PRESSAVG: 3085400 -33.3179 -2.51211 -49.4561 -2.51207 16.8432 -29.2327 -49.4561 -29.2327 -3.74304 GPRESSAVG: 3085400 -33.7631 -0.948171 -50.0297 -1.84524 15.9731 -28.8801 -47.2397 -30.2167 -2.15999 TIMING: 3085400 CPU: 9814.52, 0.00317667/step Wall: 9814.52, 0.00317667/step, 1.68946 hours remaining, 239.835938 MB of memory in use. ENERGY: 3085400 3975.7630 20460.2605 14434.1138 216.9172 -202940.8187 2400.8693 0.0000 0.0000 52210.9725 -109241.9223 300.0572 -161452.8948 -108878.6093 299.6818 -22.5124 9.4331 760674.8283 -6.7393 -6.6500 PRESSURE: 3085600 -126.883 -22.6244 -42.4271 -22.6253 -519.633 140.336 -42.4271 140.336 -49.0536 GPRESSURE: 3085600 -155.916 -45.76 4.28414 8.44139 -395.742 59.7486 94.4988 235.329 -56.6796 PRESSAVG: 3085600 9.48655 -10.7129 17.6501 -10.7128 23.2406 17.5185 17.6501 17.5185 -4.1865 GPRESSAVG: 3085600 7.59816 -9.57112 16.2369 -10.3545 26.9148 18.6179 17.4821 20.0306 -5.85348 TIMING: 3085600 CPU: 9815.16, 0.00319489/step Wall: 9815.16, 0.00319489/step, 1.69897 hours remaining, 239.835938 MB of memory in use. ENERGY: 3085600 4040.2630 20494.3370 14579.5211 277.7236 -202992.0358 2271.1906 0.0000 0.0000 52219.5918 -109109.4087 300.1067 -161329.0005 -108741.0765 299.6883 -231.8564 -202.7792 761278.7350 9.5135 9.5532 PRESSURE: 3085800 -149.721 120.908 170.447 120.907 -114.014 -89.1437 170.447 -89.1434 374.378 GPRESSURE: 3085800 -9.00743 229.356 185.587 118.414 -162.85 -96.6472 144.651 -57.3526 361.665 PRESSAVG: 3085800 -10.809 -71.5787 12.6888 -71.5788 18.611 5.02147 12.6887 5.02146 -1.88451 GPRESSAVG: 3085800 -8.83631 -72.183 14.5671 -69.8434 15.8073 4.09302 11.3899 3.24956 -1.29277 TIMING: 3085800 CPU: 9815.81, 0.00325178/step Wall: 9815.81, 0.00325178/step, 1.72904 hours remaining, 239.835938 MB of memory in use. ENERGY: 3085800 4012.8742 20376.2343 14579.8466 248.2344 -203123.4916 2403.5043 0.0000 0.0000 52199.5973 -109303.2005 299.9918 -161502.7978 -108932.3920 299.7717 36.8809 63.2691 759451.2125 1.9725 1.8927 PRESSURE: 3086000 -131.741 1.16055 -199.473 1.16037 151.099 25.9911 -199.473 25.99 -28.4425 GPRESSURE: 3086000 -50.982 -61.6569 -134.996 -12.7826 122.133 106.357 -238.538 3.82731 -1.18243 PRESSAVG: 3086000 7.81084 -46.2739 -49.9926 -46.2739 -16.9886 -15.2771 -49.9926 -15.2771 -21.0806 GPRESSAVG: 3086000 8.74069 -46.0774 -50.3733 -47.9897 -16.903 -15.0993 -47.7908 -14.5461 -21.9018 TIMING: 3086000 CPU: 9816.46, 0.00320612/step Wall: 9816.46, 0.00320612/step, 1.70459 hours remaining, 239.835938 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: 3086000 3996.5727 20530.4436 14510.1565 244.8054 -202900.3430 2392.0976 0.0000 0.0000 52110.9894 -109115.2778 299.4826 -161226.2672 -108759.0378 299.7013 -3.0281 23.3228 760021.4532 -10.0861 -10.0214 PRESSURE: 3086200 7.4708 -122.59 -40.4886 -122.589 -244.497 -134.45 -40.4884 -134.451 -154.416 GPRESSURE: 3086200 79.5607 -211.087 -20.6346 -145.978 -170.027 -132.326 -134.751 -200.625 -206.685 PRESSAVG: 3086200 17.2502 -70.9924 -43.6635 -70.9923 -3.07794 21.7711 -43.6635 21.7711 3.32878 GPRESSAVG: 3086200 15.6272 -72.9523 -44.5628 -71.3588 -1.5636 22.227 -45.6502 21.3789 3.24079 TIMING: 3086200 CPU: 9817.1, 0.00322822/step Wall: 9817.1, 0.00322821/step, 1.71615 hours remaining, 239.835938 MB of memory in use. ENERGY: 3086200 4027.3750 20628.8853 14508.5645 251.5127 -203090.4443 2412.3645 0.0000 0.0000 51974.0519 -109287.6905 298.6956 -161261.7424 -108936.1294 300.4546 -130.4806 -99.0503 758855.4161 5.8337 5.7681 PRESSURE: 3086400 -29.3623 -128.605 215.454 -128.606 8.47558 74.8461 215.455 74.8462 48.9292 GPRESSURE: 3086400 -33.671 -125.411 173.412 -154.549 28.7706 66.5038 159.844 -40.0172 104.112 PRESSAVG: 3086400 35.4374 -49.0094 -40.2426 -49.0094 -56.8463 -6.20051 -40.2426 -6.20043 -2.57433 GPRESSAVG: 3086400 37.5525 -48.7122 -41.1045 -47.9637 -59.1589 -6.05582 -40.6141 -6.43829 -2.01797 TIMING: 3086400 CPU: 9817.74, 0.00321168/step Wall: 9817.74, 0.00321168/step, 1.70718 hours remaining, 239.835938 MB of memory in use. ENERGY: 3086400 3978.2225 20717.0663 14492.1525 243.3746 -203592.9055 2632.4721 0.0000 0.0000 52192.2359 -109337.3818 299.9495 -161529.6177 -108974.7015 299.8555 9.3475 33.0704 758740.8058 -7.9944 -7.8748 PRESSURE: 3086600 98.5109 7.68127 -123.081 7.68142 -193.923 -55.8843 -123.081 -55.8849 -197.358 GPRESSURE: 3086600 60.1562 -139.704 -97.7343 -96.0423 -166.342 -60.524 -87.6755 -192.106 -83.5053 PRESSAVG: 3086600 43.7752 -12.2353 -19.6036 -12.2353 -0.692649 16.9945 -19.6037 16.9945 14.1832 GPRESSAVG: 3086600 42.5561 -11.4582 -17.8315 -12.3335 -0.2887 16.9836 -16.6147 16.5605 14.8838 TIMING: 3086600 CPU: 9818.38, 0.00320716/step Wall: 9818.38, 0.00320716/step, 1.70461 hours remaining, 239.835938 MB of memory in use. ENERGY: 3086600 3948.0223 20641.6114 14502.7726 290.3934 -203354.8006 2507.5547 0.0000 0.0000 51982.6049 -109481.8414 298.7447 -161464.4463 -109118.0388 300.0546 -97.5900 -63.2305 759478.2719 19.0886 19.0504 PRESSURE: 3086800 -102.905 65.7729 -50.972 65.7719 -376.781 233.315 -50.9716 233.316 -600.688 GPRESSURE: 3086800 -76.9212 60.5911 -21.1846 93.4697 -407.447 234.936 -90.2909 195.831 -487.067 PRESSAVG: 3086800 14.4927 -5.53575 -39.2497 -5.53569 -24.3481 -28.7426 -39.2496 -28.7426 5.5345 GPRESSAVG: 3086800 14.21 -6.85958 -38.6921 -6.84251 -23.8442 -30.392 -43.5933 -28.1564 4.92224 TIMING: 3086800 CPU: 9819.03, 0.00321244/step Wall: 9819.03, 0.00321244/step, 1.70723 hours remaining, 239.835938 MB of memory in use. ENERGY: 3086800 3976.3106 20669.5647 14467.1552 256.6892 -203268.5207 2342.5607 0.0000 0.0000 52021.3904 -109534.8499 298.9676 -161556.2403 -109180.2663 299.4120 -360.1245 -323.8117 760424.3115 -1.4403 -1.5707 PRESSURE: 3087000 357.516 -112.716 15.4272 -112.716 159.363 -130.913 15.4278 -130.913 -113.831 GPRESSURE: 3087000 323.375 -14.3621 -117.352 -172.504 288.483 -60.8296 52.1632 -116.419 -129.752 PRESSAVG: 3087000 108.09 -13.1341 -77.0682 -13.1341 -46.5508 44.9813 -77.0683 44.9813 0.457473 GPRESSAVG: 3087000 108.863 -11.9646 -78.2832 -12.0284 -45.3272 45.3897 -76.8705 45.5368 -1.17265 TIMING: 3087000 CPU: 9819.67, 0.00320702/step Wall: 9819.67, 0.00320702/step, 1.70418 hours remaining, 239.835938 MB of memory in use. ENERGY: 3087000 3972.7463 20551.3080 14510.6551 243.6089 -203893.5963 2804.7027 0.0000 0.0000 52294.5129 -109516.0624 300.5373 -161810.5753 -109154.3766 299.9033 134.3492 160.7019 759400.1886 20.6657 20.7878 PRESSURE: 3087200 -337.266 206.744 127.744 206.744 132.391 52.6991 127.744 52.6996 -44.9572 GPRESSURE: 3087200 -255.626 41.1414 138.615 236.747 127.617 52.1929 39.9416 107.198 -50.2911 PRESSAVG: 3087200 -18.9231 -13.8868 -17.3213 -13.8868 31.852 86.0034 -17.3214 86.0033 10.0018 GPRESSAVG: 3087200 -19.3038 -13.9435 -16.1986 -15.1477 31.4148 86.2343 -16.7337 85.1089 11.0589 TIMING: 3087200 CPU: 9820.32, 0.00325032/step Wall: 9820.32, 0.00325032/step, 1.72701 hours remaining, 239.835938 MB of memory in use. ENERGY: 3087200 4019.4502 20481.5449 14481.8443 248.0772 -203281.0628 2335.9868 0.0000 0.0000 52097.1153 -109617.0441 299.4028 -161714.1594 -109244.5382 299.7923 -83.2775 -59.4333 758842.7218 7.6436 7.7233 PRESSURE: 3087400 309.768 229.757 18.6734 229.757 -32.4205 60.4908 18.6743 60.4907 -191.128 GPRESSURE: 3087400 311.848 160.22 19.5529 102.655 126.26 34.2437 1.85515 -24.415 -274.267 PRESSAVG: 3087400 24.3757 8.47328 2.9073 8.47323 -54.8399 66.0818 2.90734 66.0818 -29.2184 GPRESSAVG: 3087400 23.7583 8.03632 1.17408 9.31016 -54.3737 66.3365 5.85496 66.1205 -28.5661 TIMING: 3087400 CPU: 9820.96, 0.0031881/step Wall: 9820.96, 0.0031881/step, 1.69377 hours remaining, 239.835938 MB of memory in use. ENERGY: 3087400 3953.5533 20567.5410 14570.1612 262.1086 -203574.4640 2606.1982 0.0000 0.0000 52001.2094 -109613.6924 298.8517 -161614.9017 -109254.4519 299.0430 28.7400 54.6138 759036.4764 -19.8942 -19.7272 PRESSURE: 3087600 -242.293 -188.908 52.0705 -188.907 97.6262 95.3357 52.0705 95.3358 -230.109 GPRESSURE: 3087600 -106.166 -205.37 39.9351 -235.179 40.231 56.75 -11.0682 72.7693 -229.433 PRESSAVG: 3087600 -18.6394 -38.5389 4.39099 -38.5388 -14.9257 -38.612 4.39101 -38.6121 -9.4534 GPRESSAVG: 3087600 -17.0175 -40.7141 6.61073 -36.478 -15.6011 -38.9877 2.22486 -39.6172 -10.3798 TIMING: 3087600 CPU: 9821.59, 0.0031735/step Wall: 9821.59, 0.0031735/step, 1.68583 hours remaining, 239.835938 MB of memory in use. ENERGY: 3087600 3962.8762 20485.0852 14476.6313 257.6440 -203362.2320 2725.5708 0.0000 0.0000 51933.2562 -109521.1684 298.4611 -161454.4246 -109162.1892 299.1624 -124.9252 -98.4558 761201.9391 -14.3395 -14.3328 PRESSURE: 3087800 65.4429 190.944 247.985 190.943 -384.181 -61.7033 247.984 -61.7043 -280.022 GPRESSURE: 3087800 98.5545 151.535 271.255 239.993 -307.011 -65.5538 147.982 -71.8417 -303.201 PRESSAVG: 3087800 -60.5207 -13.641 -37.4722 -13.641 34.9602 28.5991 -37.4722 28.5991 5.48043 GPRESSAVG: 3087800 -59.9666 -11.6528 -39.7894 -17.163 34.1373 27.5963 -37.7155 28.693 5.88287 TIMING: 3087800 CPU: 9822.22, 0.00316309/step Wall: 9822.22, 0.00316309/step, 1.68013 hours remaining, 239.835938 MB of memory in use. ENERGY: 3087800 4009.2439 20487.1789 14426.9769 239.0383 -203245.5256 2399.2263 0.0000 0.0000 51985.8061 -109698.0552 298.7631 -161683.8613 -109340.8549 299.0867 -199.5866 -170.5528 760672.7850 -6.6934 -6.6488 PRESSURE: 3088000 284.818 -120.876 110.403 -120.875 419.403 66.0388 110.402 66.0396 185.109 GPRESSURE: 3088000 218.16 7.69556 232.193 -169.58 475.408 170.082 124.604 -69.85 270.14 PRESSAVG: 3088000 -72.7149 4.89236 -68.2236 4.89233 33.8758 -28.8299 -68.2236 -28.8299 27.0814 GPRESSAVG: 3088000 -74.7016 7.23332 -65.5398 3.30183 35.5481 -27.489 -69.1561 -28.8092 27.3598 TIMING: 3088000 CPU: 9822.85, 0.00314647/step Wall: 9822.85, 0.00314647/step, 1.67113 hours remaining, 239.835938 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: 3088000 4002.0430 20473.2944 14530.4715 236.0512 -203663.4961 2639.3468 0.0000 0.0000 52044.7480 -109737.5411 299.1019 -161782.2891 -109380.2526 298.9726 296.4435 321.2360 758465.8989 -3.9193 -3.9312 PRESSURE: 3088200 315.282 -14.9632 36.0253 -14.9632 -236.064 68.1183 36.0259 68.1183 -13.6229 GPRESSURE: 3088200 277.893 73.4077 -95.9034 -5.18808 -151.992 6.99254 1.75901 -53.7659 14.6374 PRESSAVG: 3088200 21.581 -3.22568 12.237 -3.22571 17.3747 -63.0667 12.237 -63.0667 -10.8989 GPRESSAVG: 3088200 22.1433 -5.30785 10.9203 -3.2309 17.5184 -64.1031 13.0177 -62.4076 -11.4032 TIMING: 3088200 CPU: 9823.49, 0.00316129/step Wall: 9823.49, 0.00316129/step, 1.67882 hours remaining, 239.835938 MB of memory in use. ENERGY: 3088200 4032.2095 20528.9587 14490.0823 246.8869 -203675.1245 2555.2519 0.0000 0.0000 52112.1768 -109709.5586 299.4894 -161821.7353 -109345.4335 298.7644 21.8649 46.8462 759746.7661 9.3523 9.4195 LDB: ============= START OF LOAD BALANCING ============== 9835.94 LDB: ============== END OF LOAD BALANCING =============== 9835.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9835.94 LDB: ============= START OF LOAD BALANCING ============== 9836.25 LDB: Largest compute 7070 load 0.034758 is 17.8% of average load 0.195278 LDB: Average compute 0.004408 is 2.3% of average load 0.195278 LDB: TIME 9836.26 LOAD: AVG 0.195278 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 9836.26 LOAD: AVG 0.195278 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 9836.26 LOAD: AVG 0.195278 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 9836.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9836.27 PRESSURE: 3088400 165.238 188.781 232.177 188.781 78.0334 48.5734 232.176 48.574 -149.671 GPRESSURE: 3088400 98.9046 116.544 265.512 171.127 217.539 17.7265 248.475 4.50531 -105.138 PRESSAVG: 3088400 49.4741 -53.2193 60.7231 -53.2193 -44.4655 11.9325 60.7232 11.9324 -16.8391 GPRESSAVG: 3088400 50.2081 -52.4898 59.9447 -50.6567 -45.565 12.2385 61.9212 13.1836 -16.6463 TIMING: 3088400 CPU: 9824.13, 0.00322106/step Wall: 9824.13, 0.00322106/step, 1.71038 hours remaining, 241.582031 MB of memory in use. ENERGY: 3088400 4022.1429 20398.2391 14416.0746 258.3073 -203328.9187 2404.5191 0.0000 0.0000 51933.2052 -109896.4304 298.4608 -161829.6356 -109532.1995 298.8793 31.2001 70.4352 758865.2724 -3.9435 -4.0011 PRESSURE: 3088600 -133.129 72.881 17.5601 72.8812 42.8166 -117.175 17.56 -117.174 -309.067 GPRESSURE: 3088600 -102.159 -88.7763 -34.5334 162.367 12.9419 -186.148 99.5447 -43.5482 -215.536 PRESSAVG: 3088600 35.4418 32.2712 21.462 32.2713 -33.7058 -3.11613 21.462 -3.11608 -14.5399 GPRESSAVG: 3088600 36.8665 31.6939 20.6805 31.2884 -34.8695 -2.71526 22.672 -3.06606 -15.4466 TIMING: 3088600 CPU: 9824.76, 0.00315445/step Wall: 9824.76, 0.00315445/step, 1.67484 hours remaining, 241.652344 MB of memory in use. ENERGY: 3088600 3951.7252 20647.3064 14477.7680 260.0355 -203674.3240 2388.1961 0.0000 0.0000 52235.0832 -109714.2098 300.1957 -161949.2929 -109359.5804 298.6823 -133.1266 -101.5843 760129.0375 -4.2680 -4.4832 PRESSURE: 3088800 -60.6511 171.14 -89.8987 171.139 -291.71 261.947 -89.8989 261.949 498.681 GPRESSURE: 3088800 -187.69 32.13 -156.411 222.964 -116.979 239.882 -149.684 137.302 547.401 PRESSAVG: 3088800 -15.1766 1.14256 -39.5128 1.14255 29.9464 34.8678 -39.5129 34.8678 21.6826 GPRESSAVG: 3088800 -17.1373 0.220664 -37.9423 0.0377901 31.0165 34.6525 -40.4836 35.2231 22.4761 TIMING: 3088800 CPU: 9825.39, 0.00316573/step Wall: 9825.39, 0.00316573/step, 1.68065 hours remaining, 241.652344 MB of memory in use. ENERGY: 3088800 3887.6145 20500.1967 14453.1978 244.5467 -203314.6718 2463.3620 0.0000 0.0000 52028.2587 -109737.4953 299.0071 -161765.7540 -109369.2343 299.0348 48.7733 80.9107 761672.4259 12.1508 12.1185 PRESSURE: 3089000 99.6725 41.839 168.584 41.8397 -155.476 -109.386 168.584 -109.386 124.519 GPRESSURE: 3089000 142.642 126.467 200.327 174.379 -124.044 -148.506 164.164 -83.9072 130.239 PRESSAVG: 3089000 -14.1816 -31.7957 -6.15981 -31.7957 -6.9743 8.58044 -6.1598 8.58052 -17.4731 GPRESSAVG: 3089000 -12.6336 -30.7525 -6.59515 -29.7594 -8.11398 9.44304 -6.14589 7.5152 -17.9015 TIMING: 3089000 CPU: 9826.03, 0.0031731/step Wall: 9826.03, 0.0031731/step, 1.68439 hours remaining, 241.652344 MB of memory in use. ENERGY: 3089000 4013.7223 20365.6509 14489.0653 249.9326 -203023.9818 2339.2016 0.0000 0.0000 52062.8368 -109503.5722 299.2058 -161566.4091 -109144.1172 299.2805 22.9053 49.6125 761316.5949 -12.8763 -12.8830 PRESSURE: 3089200 -332.036 152.337 -228.147 152.338 34.8883 109.341 -228.148 109.341 -67.6641 GPRESSURE: 3089200 -243.836 184.36 -132.237 60.9517 -34.0184 130.268 -184.704 25.6888 -12.5585 PRESSAVG: 3089200 -22.8494 -44.2337 25.3739 -44.2337 27.0526 -3.09675 25.3739 -3.09674 -4.40359 GPRESSAVG: 3089200 -22.7339 -44.7969 26.2227 -45.2299 27.6132 -2.62305 26.1935 -2.93744 -4.99374 TIMING: 3089200 CPU: 9826.66, 0.00315926/step Wall: 9826.66, 0.00315926/step, 1.67687 hours remaining, 241.652344 MB of memory in use. ENERGY: 3089200 3936.4900 20637.1741 14452.4630 248.8025 -202917.5436 2253.5533 0.0000 0.0000 51936.8135 -109452.2471 298.4816 -161389.0606 -109092.3096 299.5756 -121.6041 -96.8044 760934.1760 -0.0668 -0.0382 PRESSURE: 3089400 103.158 -181.549 77.2556 -181.548 232.748 29.5335 77.2554 29.5316 40.5682 GPRESSURE: 3089400 67.1385 -127.213 123.151 -92.0852 309.021 3.89867 127.344 14.6519 106.064 PRESSAVG: 3089400 -74.1955 -29.4766 -22.1996 -29.4766 56.8004 27.3375 -22.1996 27.3375 -0.104887 GPRESSAVG: 3089400 -75.2861 -30.4112 -22.4842 -28.5717 56.983 27.3329 -22.8185 26.6232 0.90628 TIMING: 3089400 CPU: 9827.29, 0.00316502/step Wall: 9827.29, 0.00316502/step, 1.67975 hours remaining, 241.652344 MB of memory in use. ENERGY: 3089400 3944.7209 20396.8409 14476.3855 254.2203 -203459.1075 2476.1000 0.0000 0.0000 52142.1145 -109768.7254 299.6614 -161910.8399 -109401.6270 299.2370 125.4915 160.7412 760209.2044 -5.8333 -5.7989 PRESSURE: 3089600 94.6443 120.763 149.153 120.764 319.75 -84.6291 149.153 -84.6291 -67.8556 GPRESSURE: 3089600 123.848 111.06 176.101 81.7633 378.55 -137.19 191.218 -55.499 -65.4979 PRESSAVG: 3089600 29.1658 13.9395 0.529872 13.9395 -15.4847 6.83226 0.529899 6.83222 15.334 GPRESSAVG: 3089600 30.585 16.4186 0.725784 11.1515 -16.75 6.05846 0.849941 7.58154 15.0914 TIMING: 3089600 CPU: 9827.93, 0.00316928/step Wall: 9827.93, 0.00316928/step, 1.68183 hours remaining, 241.652344 MB of memory in use. ENERGY: 3089600 3935.6570 20537.7479 14489.7077 244.3386 -203579.5570 2514.4591 0.0000 0.0000 52178.1605 -109679.4861 299.8686 -161857.6466 -109321.7686 298.9221 115.5130 145.6335 760648.0866 9.6717 9.6421 PRESSURE: 3089800 -77.9861 -73.1394 -75.9216 -73.1386 -244.008 -3.53432 -75.9218 -3.53334 276.048 GPRESSURE: 3089800 -96.7755 8.36924 -102.844 -95.2605 -188.825 19.7415 -13.3617 -24.5614 329.076 PRESSAVG: 3089800 17.3012 9.93893 -22.6351 9.93895 -27.8467 -19.5524 -22.635 -19.5524 1.30666 GPRESSAVG: 3089800 16.1116 9.54737 -22.3294 11.2728 -27.3075 -20.9959 -23.0965 -18.5967 2.0883 TIMING: 3089800 CPU: 9828.56, 0.00317357/step Wall: 9828.56, 0.00317357/step, 1.68393 hours remaining, 241.652344 MB of memory in use. ENERGY: 3089800 3975.6583 20469.5215 14498.4829 250.5980 -203782.7963 2840.5052 0.0000 0.0000 51912.7909 -109835.2394 298.3435 -161748.0303 -109470.7289 298.6606 -15.3152 14.4918 760445.8174 -3.0796 -3.0359 PRESSURE: 3090000 -415.362 -139.408 -220.556 -139.409 -188.898 -139.625 -220.556 -139.625 -14.3916 GPRESSURE: 3090000 -266.898 -25.6996 -253.861 -205.695 -219.23 -79.6992 -176.525 -144.956 -23.9733 PRESSAVG: 3090000 -6.01335 2.72174 -14.6992 2.72164 -12.7942 -16.8896 -14.6992 -16.8895 -5.52956 GPRESSAVG: 3090000 -4.6704 1.66808 -14.6389 1.95558 -12.4607 -14.1214 -14.9544 -18.3043 -6.18705 TIMING: 3090000 CPU: 9829.2, 0.00318274/step Wall: 9829.2, 0.00318274/step, 1.68862 hours remaining, 241.652344 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: 3090000 3982.3751 20526.2929 14412.2075 277.3439 -203282.9725 2330.3180 0.0000 0.0000 52154.5595 -109599.8756 299.7330 -161754.4351 -109229.5096 299.0890 -206.2173 -170.0334 760157.0612 -8.1124 -7.7727 PRESSURE: 3090200 399.657 -31.1492 -13.6784 -31.149 -40.7412 130.157 -13.6782 130.157 349.058 GPRESSURE: 3090200 415.482 -84.9024 46.5102 -59.753 23.2422 109.033 91.6856 -51.9665 347.986 PRESSAVG: 3090200 34.4874 -28.5201 -3.94464 -28.5201 -55.4141 28.8519 -3.9446 28.852 14.3113 GPRESSAVG: 3090200 33.6558 -25.8136 -4.01962 -29.7055 -55.5332 28.4759 -3.44765 28.3502 15.0692 TIMING: 3090200 CPU: 9829.84, 0.00320292/step Wall: 9829.84, 0.00320292/step, 1.69915 hours remaining, 241.652344 MB of memory in use. ENERGY: 3090200 3912.6066 20543.9676 14412.9232 248.9540 -203587.7836 2614.2518 0.0000 0.0000 52190.9390 -109664.1415 299.9420 -161855.0804 -109301.2425 299.6769 235.9914 262.2370 761455.1007 -2.2051 -2.2694 PRESSURE: 3090400 -89.5502 -241.978 -160.144 -241.978 136.621 -287.939 -160.145 -287.939 145.867 GPRESSURE: 3090400 -74.865 -251.242 -103.978 -234.573 208.782 -328.009 -241.426 -90.6597 154.684 PRESSAVG: 3090400 11.8161 -32.1583 -31.2105 -32.1582 -55.7542 -33.6918 -31.2105 -33.6917 13.4637 GPRESSAVG: 3090400 10.3275 -33.1166 -33.4911 -31.264 -54.7369 -35.0091 -30.8014 -31.7006 13.6034 TIMING: 3090400 CPU: 9830.48, 0.00319843/step Wall: 9830.48, 0.00319843/step, 1.69659 hours remaining, 241.652344 MB of memory in use. ENERGY: 3090400 3886.9540 20530.4930 14490.5689 262.6058 -203326.0897 2700.7787 0.0000 0.0000 51952.5768 -109502.1126 298.5722 -161454.6894 -109142.4108 299.2564 64.3125 96.2002 760876.1919 -10.1581 -10.2687 PRESSURE: 3090600 162.823 -87.7223 96.8065 -87.7224 -252.269 16.8906 96.8074 16.8914 -279.757 GPRESSURE: 3090600 85.9339 56.4419 25.5566 -9.384 -118.222 -44.1423 8.63255 124.117 -226.788 PRESSAVG: 3090600 -54.2734 -37.3233 4.41548 -37.3233 24.4987 -16.2619 4.41551 -16.2619 6.52353 GPRESSAVG: 3090600 -53.266 -37.1328 5.20177 -38.2723 24.7259 -15.9194 5.09892 -16.5373 5.05061 TIMING: 3090600 CPU: 9831.12, 0.00323272/step Wall: 9831.12, 0.00323272/step, 1.7146 hours remaining, 241.652344 MB of memory in use. ENERGY: 3090600 4018.0422 20353.7640 14480.7301 242.1542 -203097.8600 2348.9440 0.0000 0.0000 52185.6823 -109468.5432 299.9118 -161654.2255 -109095.5895 299.2528 -123.0675 -86.3586 761603.1772 -7.7504 -7.8298 PRESSURE: 3090800 221.963 61.4982 -189.407 61.4976 183.921 205.025 -189.407 205.025 411.82 GPRESSURE: 3090800 237.537 -37.8065 -167.258 12.6668 282.647 252.066 -230.19 216.827 389.911 PRESSAVG: 3090800 23.2871 -38.6429 25.4472 -38.6429 -26.2936 13.8228 25.4471 13.8228 29.1717 GPRESSAVG: 3090800 23.369 -40.199 25.3286 -34.1337 -26.8853 15.2874 23.4406 13.1319 29.3268 TIMING: 3090800 CPU: 9831.77, 0.00323034/step Wall: 9831.77, 0.00323033/step, 1.71315 hours remaining, 241.652344 MB of memory in use. ENERGY: 3090800 3947.6450 20542.9490 14529.9460 246.1741 -203577.6206 2545.8357 0.0000 0.0000 52060.5414 -109704.5294 299.1926 -161765.0708 -109343.9407 299.8542 272.5681 303.3651 758978.7598 8.7217 8.6035 PRESSURE: 3091000 19.7198 1.55484 -24.9504 1.55301 48.3922 106.842 -24.9494 106.842 -43.0952 GPRESSURE: 3091000 77.4976 -31.288 57.3529 5.86719 123.377 228.299 -104.374 26.7394 -86.1992 PRESSAVG: 3091000 53.8157 -64.3977 9.33889 -64.3976 -62.8116 -0.61457 9.33892 -0.614507 -11.0903 GPRESSAVG: 3091000 52.7154 -64.3026 10.0625 -66.3373 -62.8438 -1.41826 10.3661 -1.45601 -10.2349 TIMING: 3091000 CPU: 9832.41, 0.00321222/step Wall: 9832.41, 0.00321222/step, 1.70337 hours remaining, 241.652344 MB of memory in use. ENERGY: 3091000 3983.0752 20625.5920 14472.9201 245.9635 -203495.5677 2440.8494 0.0000 0.0000 52146.4501 -109580.7172 299.6864 -161727.1673 -109221.5676 299.4489 8.3389 38.2252 758920.1986 -6.6954 -6.7878 PRESSURE: 3091200 -289.673 -185.303 61.2038 -185.303 63.838 92.6586 61.2034 92.6585 -371.911 GPRESSURE: 3091200 -228.271 -105.295 63.8007 -95.761 -27.2172 81.5916 -46.4741 59.3137 -274.354 PRESSAVG: 3091200 3.35941 -18.319 14.1742 -18.319 -34.8533 12.8368 14.1742 12.8368 5.87665 GPRESSAVG: 3091200 3.70981 -20.3379 14.7428 -19.1978 -35.8288 12.4807 11.8219 13.9815 5.39464 TIMING: 3091200 CPU: 9833.05, 0.00320036/step Wall: 9833.05, 0.00320036/step, 1.6969 hours remaining, 241.652344 MB of memory in use. ENERGY: 3091200 4040.1342 20652.0891 14446.7065 262.6074 -203501.7761 2409.4407 0.0000 0.0000 52008.7304 -109682.0677 298.8949 -161690.7981 -109312.0451 299.5117 -199.2487 -176.6143 760677.4107 -8.5391 -8.9081 PRESSURE: 3091400 182.359 -146.117 -5.53715 -146.115 -158.21 132.801 -5.53787 132.801 -71.076 GPRESSURE: 3091400 249.382 -143.935 -26.438 -93.9102 -122.478 50.0448 136.916 52.8406 -80.3351 PRESSAVG: 3091400 -36.6628 -86.7707 -2.33776 -86.7707 15.8224 -33.2234 -2.33783 -33.2235 -12.4439 GPRESSAVG: 3091400 -36.6344 -85.3826 -2.38636 -83.859 15.9147 -32.3454 -0.520508 -33.672 -12.4178 TIMING: 3091400 CPU: 9833.7, 0.00321954/step Wall: 9833.7, 0.00321954/step, 1.70689 hours remaining, 241.652344 MB of memory in use. ENERGY: 3091400 3970.6431 20684.9728 14437.1953 264.2704 -203701.4143 2553.7927 0.0000 0.0000 52053.4850 -109737.0550 299.1521 -161790.5400 -109379.1668 298.9614 -15.6422 15.5230 759376.4007 -11.0948 -11.0458 PRESSURE: 3091600 147.989 54.15 -157.805 54.1506 56.5554 -10.4458 -157.806 -10.4448 405.45 GPRESSURE: 3091600 142.382 125.015 -232.107 61.071 180.085 11.0066 -31.3078 17.164 371.191 PRESSAVG: 3091600 13.6776 -61.4486 -30.6889 -61.4485 -9.41845 -17.3686 -30.6888 -17.3685 3.42102 GPRESSAVG: 3091600 12.6197 -61.3225 -31.558 -65.2011 -6.68828 -16.055 -30.5801 -20.0163 2.38123 TIMING: 3091600 CPU: 9834.34, 0.00322601/step Wall: 9834.34, 0.00322601/step, 1.71015 hours remaining, 241.652344 MB of memory in use. ENERGY: 3091600 3942.5061 20627.4555 14498.9451 258.4162 -203957.6777 2815.9180 0.0000 0.0000 52042.5613 -109771.8754 299.0893 -161814.4367 -109406.6597 299.6363 203.3315 231.2192 758922.6391 2.5600 2.7709 PRESSURE: 3091800 -162.934 138.579 45.2892 138.578 -5.30406 -66.6135 45.2901 -66.6143 -405.08 GPRESSURE: 3091800 -45.8838 24.9265 -16.1723 190.891 -87.3549 -107.63 196.343 -63.5576 -368.072 PRESSAVG: 3091800 -4.01876 15.1505 22.635 15.1505 25.5782 -29.5917 22.635 -29.5917 3.76506 GPRESSAVG: 3091800 -2.53175 15.078 22.7467 14.9763 22.7256 -30.6771 22.2811 -26.1847 4.04496 TIMING: 3091800 CPU: 9834.99, 0.00323661/step Wall: 9834.99, 0.00323661/step, 1.71558 hours remaining, 241.652344 MB of memory in use. ENERGY: 3091800 3921.5175 20541.0929 14412.7573 254.6040 -203286.4715 2408.4035 0.0000 0.0000 52063.7550 -109684.3412 299.2111 -161748.0962 -109317.8611 299.4131 -191.1062 -167.1035 760654.4123 8.4415 8.0796 PRESSURE: 3092000 -158.341 108.388 11.7029 108.388 -194.488 143.617 11.7022 143.617 -74.8164 GPRESSURE: 3092000 -155.808 75.6101 -56.7261 87.6996 -126.007 209.04 24.9548 11.2473 -32.82 PRESSAVG: 3092000 18.4238 -72.6259 -21.8401 -72.6259 21.3543 2.05185 -21.8401 2.05185 -8.6994 GPRESSAVG: 3092000 18.0571 -73.4392 -22.2901 -71.7542 22.5035 2.56859 -19.236 1.37722 -9.38779 TIMING: 3092000 CPU: 9835.62, 0.00317359/step Wall: 9835.62, 0.00317359/step, 1.682 hours remaining, 241.652344 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: 3092000 3940.8780 20624.2226 14465.7507 252.3544 -203207.0830 2380.1833 0.0000 0.0000 51708.1339 -109835.5602 297.1674 -161543.6941 -109481.7376 299.4449 -142.5484 -104.8782 760524.2376 10.3596 10.3910 PRESSURE: 3092200 141.793 -31.1493 -138.508 -31.1494 -22.9339 -157.792 -138.507 -157.791 257.648 GPRESSURE: 3092200 262.414 85.5092 -176.058 -11.5633 -21.6833 -191.19 -170.046 16.6747 201.673 PRESSAVG: 3092200 -3.63573 -44.0567 -25.1825 -44.0567 7.3301 -24.8564 -25.1825 -24.8565 -3.87148 GPRESSAVG: 3092200 -3.48526 -40.6018 -24.3195 -46.9114 6.61706 -27.03 -26.9638 -23.2267 -3.16332 TIMING: 3092200 CPU: 9836.26, 0.00318339/step Wall: 9836.26, 0.00318339/step, 1.68702 hours remaining, 241.652344 MB of memory in use. ENERGY: 3092200 3944.6239 20613.7900 14424.5103 246.1267 -203073.1064 2308.3649 0.0000 0.0000 51853.3376 -109682.3532 298.0018 -161535.6907 -109314.9877 298.7930 125.5024 147.4680 759731.8208 -0.0590 -0.0105 LDB: ============= START OF LOAD BALANCING ============== 9848.71 LDB: ============== END OF LOAD BALANCING =============== 9848.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9848.72 LDB: ============= START OF LOAD BALANCING ============== 9849.03 LDB: Largest compute 7034 load 0.036511 is 18.7% of average load 0.195337 LDB: Average compute 0.004377 is 2.2% of average load 0.195337 LDB: TIME 9849.04 LOAD: AVG 0.195337 MAX 0.213448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.832 MB LDB: TIME 9849.04 LOAD: AVG 0.195337 MAX 0.213448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.871 MB LDB: TIME 9849.04 LOAD: AVG 0.195337 MAX 0.213448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.871 MB LDB: ============== END OF LOAD BALANCING =============== 9849.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9849.04 PRESSURE: 3092400 -40.2713 96.8065 -98.8644 96.8065 85.9116 -20.1892 -98.865 -20.1895 165.323 GPRESSURE: 3092400 -9.39306 104.351 -48.6347 -9.1529 169.984 -39.7438 -52.4987 25.2036 116.943 PRESSAVG: 3092400 -31.4439 -65.4996 6.21802 -65.4996 13.3759 -25.5253 6.218 -25.5253 -18.5654 GPRESSAVG: 3092400 -31.2196 -68.3842 7.33561 -64.543 13.6226 -24.4523 5.28203 -25.3854 -19.2343 TIMING: 3092400 CPU: 9836.91, 0.00322857/step Wall: 9836.91, 0.00322857/step, 1.71078 hours remaining, 240.039062 MB of memory in use. ENERGY: 3092400 3973.2321 20540.4526 14443.3293 238.0596 -203203.9251 2419.0603 0.0000 0.0000 52081.8119 -109507.9793 299.3149 -161589.7912 -109144.1253 299.2324 70.3212 92.5115 761038.9810 -12.2111 -12.2771 PRESSURE: 3092600 14.5706 -118.025 -12.9641 -118.025 -7.33304 47.8248 -12.9637 47.8247 82.6266 GPRESSURE: 3092600 18.7069 -150.17 -42.9775 -90.3299 33.3176 33.7416 18.7699 -195.531 94.8927 PRESSAVG: 3092600 6.0614 -53.9804 56.03 -53.9804 1.17678 15.1641 56.03 15.1642 0.349345 GPRESSAVG: 3092600 5.75284 -55.3797 54.927 -52.8291 0.902763 14.9705 56.6552 13.8351 0.983971 TIMING: 3092600 CPU: 9837.54, 0.00318804/step Wall: 9837.54, 0.00318804/step, 1.68913 hours remaining, 240.242188 MB of memory in use. ENERGY: 3092600 3993.8655 20659.2397 14437.3672 242.6837 -203960.1896 2838.1918 0.0000 0.0000 52108.3201 -109680.5215 299.4672 -161788.8416 -109316.6334 299.3047 29.9547 48.9724 760480.5777 2.5292 2.5465 PRESSURE: 3092800 159.943 -38.7319 189.244 -38.7316 260.848 -49.1695 189.244 -49.1685 -25.8091 GPRESSURE: 3092800 243.442 -43.1912 188.166 -50.584 188.475 107.894 115.995 -124.711 28.3147 PRESSAVG: 3092800 24.8699 -27.5242 -9.14139 -27.5242 -25.7416 -50.9655 -9.14138 -50.9655 -6.04216 GPRESSAVG: 3092800 24.4745 -25.8694 -8.82318 -29.1287 -25.0746 -49.8127 -9.86676 -50.1913 -6.8079 TIMING: 3092800 CPU: 9838.18, 0.00318756/step Wall: 9838.18, 0.00318756/step, 1.6887 hours remaining, 240.242188 MB of memory in use. ENERGY: 3092800 3944.8285 20567.8337 14448.8302 237.9427 -204073.4521 3026.3733 0.0000 0.0000 52045.3140 -109802.3298 299.1051 -161847.6437 -109445.4586 299.1130 131.6607 153.4105 760296.2563 -2.3046 -2.4694 PRESSURE: 3093000 -139.756 0.11644 -18.7221 0.116277 -211.505 -181.773 -18.7217 -181.771 -238.214 GPRESSURE: 3093000 -60.5815 -4.3292 41.054 141.615 -168.214 -127.487 -6.27722 -129.44 -285.205 PRESSAVG: 3093000 31.8391 -30.9358 35.9742 -30.9358 -6.11058 39.6003 35.9742 39.6004 -0.397536 GPRESSAVG: 3093000 31.6323 -31.9244 34.3475 -30.0093 -5.7067 39.6655 36.4754 39.5975 -0.305289 TIMING: 3093000 CPU: 9838.82, 0.00317365/step Wall: 9838.82, 0.00317365/step, 1.68115 hours remaining, 240.242188 MB of memory in use. ENERGY: 3093000 4088.8558 20482.3840 14541.0753 255.9054 -203272.3521 2299.5155 0.0000 0.0000 51959.6585 -109644.9576 298.6129 -161604.6161 -109272.0742 299.1176 -196.4915 -171.3336 759679.2070 8.4437 8.5401 PRESSURE: 3093200 43.8774 -45.3181 99.8492 -45.3187 -96.6656 -144.179 99.849 -144.18 -141.174 GPRESSURE: 3093200 51.3788 -67.5628 162.693 -52.9289 -51.4847 -169.327 3.80048 -253.019 -104.684 PRESSAVG: 3093200 43.4889 -9.20986 50.6591 -9.20987 4.89198 -69.9765 50.6591 -69.9765 6.20928 GPRESSAVG: 3093200 43.8315 -8.84807 53.1244 -7.45077 4.65052 -69.7833 49.5145 -70.1026 5.76296 TIMING: 3093200 CPU: 9839.46, 0.00319383/step Wall: 9839.46, 0.00319383/step, 1.69167 hours remaining, 240.242188 MB of memory in use. ENERGY: 3093200 3971.6659 20498.7092 14539.6893 247.8282 -203643.8234 2544.4002 0.0000 0.0000 52333.9257 -109507.6050 300.7638 -161841.5306 -109145.9136 300.0148 -64.6542 -34.9300 759382.1425 18.1967 18.0817 PRESSURE: 3093400 -65.329 30.3031 -26.5932 30.3031 270.549 -170.593 -26.5935 -170.594 -101.508 GPRESSURE: 3093400 32.3762 -128.88 -43.3989 60.0276 292.348 -142.676 11.9656 -168.04 -127.71 PRESSAVG: 3093400 -2.60175 -32.4937 47.6684 -32.4936 16.6574 -63.2196 47.6685 -63.2196 -5.42461 GPRESSAVG: 3093400 -2.17436 -30.2872 45.7225 -34.1193 15.5831 -64.0348 49.3915 -62.0251 -5.3799 TIMING: 3093400 CPU: 9840.1, 0.00321757/step Wall: 9840.1, 0.00321757/step, 1.70406 hours remaining, 240.242188 MB of memory in use. ENERGY: 3093400 4117.4184 20477.9186 14469.9445 235.2819 -203720.9663 2755.4444 0.0000 0.0000 52110.6130 -109554.3455 299.4804 -161664.9585 -109186.1085 299.9584 34.5707 65.6715 759514.9092 2.8770 2.6763 PRESSURE: 3093600 157.582 -70.2501 32.7172 -70.2497 269.125 194.736 32.7164 194.737 97.577 GPRESSURE: 3093600 229.22 94.7421 -0.233406 -51.1892 342.825 151.172 10.5216 86.8263 48.1198 PRESSAVG: 3093600 -6.89906 -18.61 4.08025 -18.61 17.0668 -63.4645 4.08029 -63.4645 3.79873 GPRESSAVG: 3093600 -8.58746 -21.4669 4.59227 -18.0057 18.4913 -63.8768 2.46683 -64.2407 3.87401 TIMING: 3093600 CPU: 9840.74, 0.00320967/step Wall: 9840.74, 0.00320967/step, 1.6997 hours remaining, 240.242188 MB of memory in use. ENERGY: 3093600 3993.0249 20521.8784 14566.4032 259.9336 -203619.1450 2816.5817 0.0000 0.0000 52125.9540 -109335.3691 299.5686 -161461.3231 -108979.1374 299.9613 174.7612 206.7215 759820.2103 4.6555 4.5926 PRESSURE: 3093800 -184.08 4.13323 81.1401 4.13303 458.875 76.5663 81.1401 76.5662 95.9249 GPRESSURE: 3093800 -67.5061 -41.7227 95.2293 -106.845 410.525 4.91227 7.65277 50.5494 127.987 PRESSAVG: 3093800 -49.6754 -8.4052 59.0748 -8.40526 17.7236 -37.3188 59.0748 -37.3189 -26.9258 GPRESSAVG: 3093800 -48.6306 -7.06217 59.5056 -8.30142 16.1445 -35.6695 59.0473 -38.6616 -26.1829 TIMING: 3093800 CPU: 9841.38, 0.0031927/step Wall: 9841.38, 0.00319271/step, 1.69054 hours remaining, 240.242188 MB of memory in use. ENERGY: 3093800 3940.9697 20586.2586 14479.5574 241.9920 -203525.2766 2782.6333 0.0000 0.0000 52404.1958 -109089.6697 301.1676 -161493.8656 -108731.7265 300.2019 123.5731 157.0020 760227.4205 -19.6259 -19.5563 PRESSURE: 3094000 186.165 -181.341 -26.4598 -181.34 318.879 216.07 -26.4592 216.07 -220.237 GPRESSURE: 3094000 274.822 -132.028 -48.5195 -113.595 284.146 176.175 -69.6409 193.934 -203.817 PRESSAVG: 3094000 33.5236 -78.4533 -22.6894 -78.4533 13.2764 -37.9075 -22.6894 -37.9075 23.646 GPRESSAVG: 3094000 32.4146 -78.8447 -24.4524 -80.0354 14.8877 -40.4022 -21.9785 -38.1682 22.9209 TIMING: 3094000 CPU: 9842.01, 0.0031548/step Wall: 9842.01, 0.0031548/step, 1.67029 hours remaining, 240.242188 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: 3094000 4005.3272 20568.8040 14505.2108 236.4710 -203607.9285 2767.7638 0.0000 0.0000 52179.8796 -109344.4723 299.8785 -161524.3519 -108992.9107 300.2060 94.9360 118.3838 761400.7214 23.4820 23.4077 PRESSURE: 3094200 -127.713 -13.2623 -33.8393 -13.262 -0.0038253 -201.315 -33.8401 -201.315 29.4826 GPRESSURE: 3094200 -192.323 69.1763 -88.7719 -107.929 74.1509 -205.975 33.278 -152.673 93.4221 PRESSAVG: 3094200 58.3832 -13.1499 38.1161 -13.15 -37.4205 -15.3575 38.1161 -15.3575 3.70707 GPRESSAVG: 3094200 58.6631 -14.4368 41.4783 -13.1776 -38.5894 -15.8911 38.1993 -12.6581 4.16043 TIMING: 3094200 CPU: 9842.64, 0.00314809/step Wall: 9842.64, 0.00314809/step, 1.66656 hours remaining, 240.242188 MB of memory in use. ENERGY: 3094200 3982.0111 20631.1093 14429.3514 275.8575 -203255.3575 2305.5514 0.0000 0.0000 52264.6997 -109366.7770 300.3659 -161631.4767 -109008.9261 299.8245 -32.7446 -8.2501 762084.0887 8.2232 8.0781 PRESSURE: 3094400 77.9081 -48.1041 -212.541 -48.104 -386.344 102.745 -212.54 102.743 419.675 GPRESSURE: 3094400 130.493 34.0064 -237.437 61.4403 -289.924 56.2656 -153.348 185.047 356.293 PRESSAVG: 3094400 66.192 -57.7642 20.0749 -57.7642 -34.6534 -15.0738 20.0749 -15.0738 11.8841 GPRESSAVG: 3094400 66.3846 -55.7387 18.4009 -58.3023 -33.2645 -13.9963 21.0445 -16.2382 10.7037 TIMING: 3094400 CPU: 9843.28, 0.00320082/step Wall: 9843.28, 0.00320081/step, 1.6943 hours remaining, 240.242188 MB of memory in use. ENERGY: 3094400 4067.8706 20587.6765 14478.1672 255.6684 -203517.7290 2681.8726 0.0000 0.0000 52251.5095 -109194.9643 300.2901 -161446.4738 -108833.0511 299.9284 37.0795 65.6206 761016.9578 14.4743 14.6079 PRESSURE: 3094600 215.083 -200.531 -86.9238 -200.531 -153.053 23.957 -86.9239 23.9582 24.3235 GPRESSURE: 3094600 235.372 -233.601 -30.6124 -267.607 -24.2037 33.6934 -190.827 81.4391 -46.6558 PRESSAVG: 3094600 20.2561 -67.005 30.6067 -67.005 -22.7111 -35.6243 30.6067 -35.6242 0.638316 GPRESSAVG: 3094600 20.0953 -68.8985 31.4713 -66.9553 -23.4016 -35.8397 29.8341 -36.0215 1.84146 TIMING: 3094600 CPU: 9843.92, 0.00321877/step Wall: 9843.92, 0.00321877/step, 1.70362 hours remaining, 240.242188 MB of memory in use. ENERGY: 3094600 4017.5817 20558.5608 14460.2366 258.9135 -203134.0014 2475.0159 0.0000 0.0000 52219.0892 -109144.6037 300.1038 -161363.6929 -108781.2463 299.6476 28.7843 54.8376 760676.8738 -0.6055 -0.4883 PRESSURE: 3094800 -17.261 4.77428 -67.3388 4.7734 19.8937 -140.832 -67.3397 -140.833 -16.9209 GPRESSURE: 3094800 -57.7057 88.1547 -147.34 71.5764 106.881 -167.413 5.07301 -206.931 19.6826 PRESSAVG: 3094800 21.8551 -10.3442 15.4506 -10.3443 18.1855 -35.9146 15.4506 -35.9146 21.2096 GPRESSAVG: 3094800 22.2711 -9.77987 14.8918 -8.74819 19.4419 -35.0136 16.3321 -36.0534 20.1676 TIMING: 3094800 CPU: 9844.57, 0.0032159/step Wall: 9844.57, 0.0032159/step, 1.70192 hours remaining, 240.242188 MB of memory in use. ENERGY: 3094800 4077.3769 20524.3404 14471.2359 241.1421 -203567.7273 2822.5706 0.0000 0.0000 52239.3950 -109191.6665 300.2205 -161431.0614 -108836.5511 300.1591 -4.7627 22.9528 760542.2307 20.4168 20.6269 PRESSURE: 3095000 54.8846 98.8557 9.40632 98.8554 -75.6099 -13.5459 9.4066 -13.5461 -143.057 GPRESSURE: 3095000 -2.0509 112.931 -19.1807 27.2115 82.8205 -64.1725 159.538 -20.6883 -152.551 PRESSAVG: 3095000 7.58946 -17.2309 -0.575938 -17.231 3.77873 -22.3546 -0.575947 -22.3546 -23.8733 GPRESSAVG: 3095000 6.90606 -14.693 -0.935954 -18.167 3.813 -23.3722 -1.40214 -21.5924 -23.2704 TIMING: 3095000 CPU: 9845.21, 0.00321683/step Wall: 9845.21, 0.00321683/step, 1.70224 hours remaining, 240.242188 MB of memory in use. ENERGY: 3095000 4020.3773 20520.1208 14510.7130 235.3404 -203141.5758 2488.1117 0.0000 0.0000 52269.5530 -109097.3595 300.3938 -161366.9125 -108744.0872 300.0580 -54.5943 -23.9270 759489.1547 -4.1684 -4.1838 PRESSURE: 3095200 -55.7032 -91.3941 -71.1871 -91.395 329.37 48.7477 -71.1871 48.7482 304.488 GPRESSURE: 3095200 -52.3513 -116.694 36.088 -114.869 336.921 46.1432 -41.6904 160.272 381.403 PRESSAVG: 3095200 -64.8938 35.274 6.1349 35.2739 28.792 -28.7477 6.13493 -28.7477 17.0029 GPRESSAVG: 3095200 -64.6943 34.5184 7.05471 33.5823 28.4726 -27.1074 6.3783 -29.3169 17.0709 TIMING: 3095200 CPU: 9845.85, 0.00318217/step Wall: 9845.85, 0.00318217/step, 1.68372 hours remaining, 240.242188 MB of memory in use. ENERGY: 3095200 4041.3110 20567.2810 14446.2146 241.1863 -202970.3544 2454.1813 0.0000 0.0000 51987.0037 -109233.1766 298.7700 -161220.1803 -108876.9068 299.8992 192.7182 221.9910 761232.6344 -6.3663 -6.3836 PRESSURE: 3095400 140.369 -19.2885 265.57 -19.2896 193.971 116.528 265.571 116.528 19.3285 GPRESSURE: 3095400 277.363 -39.052 260.188 -59.2145 147.58 107.342 317.463 51.8561 16.8251 PRESSAVG: 3095400 8.98844 -14.9582 2.8456 -14.9582 -24.888 4.77729 2.84562 4.77725 0.895405 GPRESSAVG: 3095400 8.73479 -14.2607 1.46419 -12.4584 -25.3217 5.10775 3.42636 3.98367 1.16342 TIMING: 3095400 CPU: 9846.48, 0.00316521/step Wall: 9846.48, 0.00316521/step, 1.67457 hours remaining, 240.242188 MB of memory in use. ENERGY: 3095400 4006.0130 20516.7731 14506.4687 245.4752 -202760.2200 2363.9731 0.0000 0.0000 51990.1365 -109131.3803 298.7880 -161121.5168 -108769.5858 299.7279 117.8894 147.2559 759995.6559 -5.0014 -5.1412 PRESSURE: 3095600 12.8997 13.0858 58.2558 13.0852 61.3326 65.9416 58.2549 65.9405 -134.009 GPRESSURE: 3095600 6.85931 -10.297 -16.3426 135.842 121.744 88.9749 155.589 23.6251 -104.416 PRESSAVG: 3095600 -9.78712 14.5285 66.6837 14.5285 35.7068 7.02693 66.6837 7.02683 -29.0343 GPRESSAVG: 3095600 -9.28887 13.4327 67.5779 13.7716 34.8179 6.47614 65.964 8.86709 -28.1579 TIMING: 3095600 CPU: 9847.12, 0.00318292/step Wall: 9847.12, 0.00318292/step, 1.68376 hours remaining, 240.242188 MB of memory in use. ENERGY: 3095600 4026.4661 20599.3230 14548.7663 247.9152 -202964.3504 2381.1342 0.0000 0.0000 52029.4474 -109131.2982 299.0139 -161160.7456 -108767.5540 300.5065 -19.9255 8.0624 760273.6368 -1.0382 -0.8763 PRESSURE: 3095800 107.028 -119.063 74.9309 -119.062 -103.663 -85.1368 74.9307 -85.1368 -4.92005 GPRESSURE: 3095800 161.848 -189.721 28.2161 -120.917 17.8156 0.0139834 21.1223 -145.153 -99.0582 PRESSAVG: 3095800 -18.2492 -41.3375 18.2806 -41.3375 21.5785 27.7008 18.2806 27.7008 9.38651 GPRESSAVG: 3095800 -18.5202 -39.4004 18.4149 -42.9074 21.9592 27.1345 17.1809 27.8887 9.12474 TIMING: 3095800 CPU: 9847.76, 0.00320529/step Wall: 9847.76, 0.00320529/step, 1.69542 hours remaining, 240.242188 MB of memory in use. ENERGY: 3095800 4010.6453 20527.7094 14466.8784 239.6384 -203166.1355 2667.0361 0.0000 0.0000 52046.8540 -109207.3740 299.1140 -161254.2280 -108837.3390 300.1159 -0.5184 26.8685 762029.1421 4.2386 4.1879 PRESSURE: 3096000 -60.0639 145.083 35.1775 145.083 -0.0947911 12.3731 35.1779 12.3729 273.404 GPRESSURE: 3096000 43.2508 174.763 43.7438 11.362 -0.289806 52.324 11.7237 -51.162 251.091 PRESSAVG: 3096000 -11.979 -46.1804 7.55959 -46.1804 -3.30691 -16.277 7.55954 -16.277 -4.34719 GPRESSAVG: 3096000 -10.7205 -47.0536 6.59464 -44.3294 -3.26694 -15.3419 8.19272 -15.7214 -5.9851 TIMING: 3096000 CPU: 9848.4, 0.00322233/step Wall: 9848.4, 0.00322233/step, 1.70426 hours remaining, 240.242188 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: 3096000 4027.2763 20543.3580 14468.0353 255.9086 -203492.1700 2829.5563 0.0000 0.0000 52297.7248 -109070.3105 300.5557 -161368.0354 -108715.0187 299.9821 71.0817 98.0174 762307.8419 -6.5444 -6.6575 PRESSURE: 3096200 8.73186 27.8658 -136.882 27.8656 -25.8524 43.6579 -136.882 43.6578 234.219 GPRESSURE: 3096200 67.4807 -72.1127 -135.795 -57.8826 11.3064 60.1178 -122.953 -6.12639 210.129 PRESSAVG: 3096200 56.0399 6.61722 55.4624 6.61719 -12.8007 -45.8439 55.4623 -45.844 -3.39573 GPRESSAVG: 3096200 54.4075 3.03534 55.2222 6.00249 -12.4096 -46.1481 56.9784 -47.7249 -2.28674 TIMING: 3096200 CPU: 9849.04, 0.00319721/step Wall: 9849.04, 0.00319721/step, 1.69079 hours remaining, 240.242188 MB of memory in use. ENERGY: 3096200 4011.4954 20460.5055 14477.0501 252.3251 -203314.8183 2487.6456 0.0000 0.0000 52206.1322 -109419.6643 300.0294 -161625.7965 -109059.3629 300.1174 72.3662 96.3054 760927.2744 13.2811 13.2370 LDB: ============= START OF LOAD BALANCING ============== 9861.5 LDB: ============== END OF LOAD BALANCING =============== 9861.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9861.5 LDB: ============= START OF LOAD BALANCING ============== 9861.82 LDB: Largest compute 7034 load 0.037893 is 19.4% of average load 0.195374 LDB: Average compute 0.004385 is 2.2% of average load 0.195374 LDB: TIME 9861.83 LOAD: AVG 0.195374 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 9861.83 LOAD: AVG 0.195374 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 9861.83 LOAD: AVG 0.195374 MAX 0.213289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 9861.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9861.83 PRESSURE: 3096400 -18.4873 87.9931 -53.4435 87.9932 -265.057 446.487 -53.4434 446.488 494.339 GPRESSURE: 3096400 37.1063 -31.6189 -29.2078 141.05 -178.291 420.608 107.871 414.959 440.695 PRESSAVG: 3096400 50.7724 -67.8384 2.82673 -67.8384 -57.2213 -3.66183 2.82672 -3.66181 -0.49217 GPRESSAVG: 3096400 51.6196 -66.2358 4.83796 -67.0816 -57.9586 -4.39321 0.661637 -2.056 0.156745 TIMING: 3096400 CPU: 9849.7, 0.00327731/step Wall: 9849.7, 0.00327731/step, 1.73297 hours remaining, 239.527344 MB of memory in use. ENERGY: 3096400 3889.0279 20573.4669 14427.6950 227.5648 -202943.9711 2284.7625 0.0000 0.0000 52239.2329 -109302.2211 300.2196 -161541.4541 -108937.7213 299.8941 70.2651 99.8369 759854.7506 -2.3137 -2.0607 PRESSURE: 3096600 -165.506 169.823 -0.199916 169.822 -268.35 -75.3351 -0.19961 -75.3343 -92.7726 GPRESSURE: 3096600 -207.624 120.838 -1.01548 251.094 -189.312 7.61097 -22.0827 -12.9492 -35.3004 PRESSAVG: 3096600 41.8815 9.68871 7.80773 9.68868 -7.78271 16.7866 7.80772 16.7865 41.9682 GPRESSAVG: 3096600 40.9348 11.3909 8.35265 8.48548 -7.25835 19.5897 6.63299 16.0761 42.5328 TIMING: 3096600 CPU: 9850.34, 0.00321252/step Wall: 9850.34, 0.00321252/step, 1.69853 hours remaining, 239.527344 MB of memory in use. ENERGY: 3096600 4006.4901 20606.5633 14408.0434 263.0778 -203261.6203 2371.6397 0.0000 0.0000 52347.0392 -109258.7668 300.8392 -161605.8059 -108887.5145 299.7093 -175.5430 -144.0788 760965.3681 25.3557 25.4031 PRESSURE: 3096800 382.359 -0.900681 -104.708 -0.90072 -245.825 356.025 -104.707 356.025 146.033 GPRESSURE: 3096800 324.646 13.4632 -54.9756 -7.28233 -98.8289 298.37 -57.4951 284.541 139.427 PRESSAVG: 3096800 36.3971 19.6077 -26.7827 19.6077 -14.2951 -42.3445 -26.7826 -42.3445 16.0044 GPRESSAVG: 3096800 35.4338 18.6474 -27.0201 17.6229 -13.7955 -42.5969 -26.2296 -44.224 16.3932 TIMING: 3096800 CPU: 9850.98, 0.00319849/step Wall: 9850.98, 0.00319849/step, 1.69094 hours remaining, 239.527344 MB of memory in use. ENERGY: 3096800 4067.0405 20625.0351 14449.9673 233.1872 -203378.9814 2642.7273 0.0000 0.0000 52074.4316 -109286.5924 299.2725 -161361.0240 -108927.9950 300.0418 94.1888 121.7482 759496.2382 12.7022 12.6772 PRESSURE: 3097000 -22.238 36.1039 -87.5898 36.1032 22.8066 -83.7096 -87.5897 -83.7082 -34.913 GPRESSURE: 3097000 23.2458 -105.529 -53.5815 52.8497 116.451 -150.159 -61.3077 -12.8836 -78.795 PRESSAVG: 3097000 -4.46666 17.4056 18.9182 17.4055 -32.1726 -19.3739 18.9182 -19.3738 6.52234 GPRESSAVG: 3097000 -3.97145 19.8326 18.5092 19.8979 -31.0982 -22.575 21.1545 -16.6305 4.98308 TIMING: 3097000 CPU: 9851.62, 0.00319781/step Wall: 9851.62, 0.00319781/step, 1.6904 hours remaining, 239.527344 MB of memory in use. ENERGY: 3097000 4038.0187 20431.9077 14456.9263 250.3368 -203514.7769 2539.9040 0.0000 0.0000 52442.7710 -109354.9124 301.3893 -161797.6834 -108982.1885 300.1049 -11.4482 20.3006 760438.1731 -10.0390 -10.0288 PRESSURE: 3097200 229.226 142.153 121.146 142.153 62.6635 61.9525 121.146 61.9531 405.368 GPRESSURE: 3097200 331.591 187.301 127.619 22.3414 71.9119 26.8877 19.5739 26.2019 384.742 PRESSAVG: 3097200 46.6558 -13.6604 9.86905 -13.6603 -22.4319 -7.15758 9.86914 -7.15758 -14.9951 GPRESSAVG: 3097200 47.4579 -15.6446 9.73888 -16.6674 -23.918 -5.14127 8.14737 -6.36639 -14.3837 TIMING: 3097200 CPU: 9852.26, 0.00318632/step Wall: 9852.26, 0.00318632/step, 1.68415 hours remaining, 239.527344 MB of memory in use. ENERGY: 3097200 3982.3404 20622.9760 14460.4062 229.2675 -203356.7380 2641.8042 0.0000 0.0000 52068.2024 -109351.7413 299.2367 -161419.9437 -108984.6251 299.8626 232.4193 262.7483 758572.1718 3.0762 3.0521 PRESSURE: 3097400 25.5328 -312.599 -59.2762 -312.599 -224.202 295.299 -59.2769 295.299 -158.862 GPRESSURE: 3097400 -14.6314 -296.025 -41.8471 -209.833 -186.295 262.653 -193.148 200.988 -79.3065 PRESSAVG: 3097400 71.8103 -44.4003 -5.01864 -44.4003 -52.2879 19.7326 -5.01865 19.7326 15.8828 GPRESSAVG: 3097400 72.0735 -43.2456 -4.29834 -42.6188 -53.0388 20.0541 -5.16541 17.47 15.9731 TIMING: 3097400 CPU: 9852.89, 0.00318508/step Wall: 9852.89, 0.00318508/step, 1.68332 hours remaining, 239.527344 MB of memory in use. ENERGY: 3097400 3872.7161 20614.0084 14407.5498 248.5026 -202936.8830 2208.4876 0.0000 0.0000 52268.2322 -109317.3862 300.3862 -161585.6184 -108942.7373 299.9946 -119.1771 -93.4111 760973.9222 11.8017 11.6693 PRESSURE: 3097600 -294.568 -109.926 -70.9486 -109.926 -224.872 -291.712 -70.9492 -291.713 3.27649 GPRESSURE: 3097600 -275.234 -150.189 -81.2629 -149.911 -158.987 -280.881 89.899 -197.897 5.19372 PRESSAVG: 3097600 64.3932 -13.668 -20.2704 -13.668 -94.5935 22.7906 -20.2705 22.7907 4.29472 GPRESSAVG: 3097600 62.8635 -13.8342 -19.9928 -14.0037 -93.7365 23.0985 -20.067 25.4296 4.57453 TIMING: 3097600 CPU: 9853.53, 0.00320805/step Wall: 9853.53, 0.00320805/step, 1.69527 hours remaining, 239.527344 MB of memory in use. ENERGY: 3097600 4031.0069 20603.2561 14427.6194 232.8838 -203202.2041 2275.2109 0.0000 0.0000 52182.2018 -109450.0250 299.8918 -161632.2269 -109078.9925 300.0046 -172.0544 -143.0091 761692.0661 -8.6352 -8.7661 PRESSURE: 3097800 118.341 -154.548 82.2141 -154.548 93.6587 5.72521 82.2148 5.72579 244.227 GPRESSURE: 3097800 111.567 -175.862 37.726 -79.4756 152.088 -34.9415 174.606 -89.1959 285.096 PRESSAVG: 3097800 -37.0141 7.98616 5.78781 7.98612 -3.04373 -0.897939 5.78776 -0.897947 18.4041 GPRESSAVG: 3097800 -36.933 7.21662 6.14551 6.4132 -3.70928 -0.0773415 5.74856 -2.79421 18.8743 TIMING: 3097800 CPU: 9854.18, 0.00320641/step Wall: 9854.18, 0.00320641/step, 1.69423 hours remaining, 239.527344 MB of memory in use. ENERGY: 3097800 3978.7439 20481.6916 14450.6694 246.5326 -203150.7734 2442.2714 0.0000 0.0000 52181.6402 -109369.2243 299.8886 -161550.8645 -109002.2113 299.4838 152.0757 182.9167 760648.8505 -7.2179 -7.2560 PRESSURE: 3098000 -350.093 14.5999 -67.838 14.5995 -237.372 102.534 -67.8388 102.534 199.381 GPRESSURE: 3098000 -222.587 -25.7146 -92.9046 -15.9669 -219.413 126.345 -101.644 52.6468 152.721 PRESSAVG: 3098000 26.3416 -30.8119 -2.72911 -30.8119 -19.7768 -46.177 -2.72917 -46.1769 -5.06186 GPRESSAVG: 3098000 26.4567 -31.4324 -4.57697 -28.3538 -18.8258 -46.1986 -2.50537 -46.1137 -5.51909 TIMING: 3098000 CPU: 9854.81, 0.00318527/step Wall: 9854.81, 0.00318527/step, 1.68288 hours remaining, 239.527344 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: 3098000 4017.8614 20576.2794 14490.5123 239.9278 -203378.4702 2488.7338 0.0000 0.0000 52416.0635 -109149.0920 301.2358 -161565.1555 -108785.9426 299.6283 -129.3613 -96.4261 762080.8061 0.5010 0.7039 PRESSURE: 3098200 -38.1865 -27.0941 -82.4661 -27.0934 60.766 198.256 -82.4669 198.256 334.978 GPRESSURE: 3098200 39.0614 -12.49 -102.227 -165.574 89.3419 165.183 -83.7718 189.239 306.974 PRESSAVG: 3098200 26.3672 -28.1393 -26.2748 -28.1393 -23.7632 -18.3921 -26.2748 -18.3921 11.014 GPRESSAVG: 3098200 27.326 -28.2905 -26.6286 -27.7736 -24.1808 -18.8814 -25.8867 -17.8149 10.1067 TIMING: 3098200 CPU: 9855.45, 0.00317833/step Wall: 9855.45, 0.00317833/step, 1.67904 hours remaining, 239.527344 MB of memory in use. ENERGY: 3098200 4050.9026 20556.6733 14485.8701 248.0316 -203252.4008 2515.8813 0.0000 0.0000 52167.2912 -109227.7509 299.8061 -161395.0421 -108861.8196 300.5568 119.1860 145.1259 761937.9134 4.5393 4.4173 PRESSURE: 3098400 -99.7546 134.46 122.164 134.46 161.829 45.3914 122.164 45.3904 -79.5946 GPRESSURE: 3098400 -72.2579 135.324 156.752 81.5054 247.047 36.8345 -64.1807 -45.8763 -92.0608 PRESSAVG: 3098400 35.1017 -18.6332 49.4142 -18.6332 -51.6218 -10.0893 49.4142 -10.0893 24.1169 GPRESSAVG: 3098400 35.4336 -17.4419 50.4139 -20.0402 -53.7616 -12.0875 48.266 -8.96894 25.5886 TIMING: 3098400 CPU: 9856.09, 0.00320655/step Wall: 9856.09, 0.00320655/step, 1.69377 hours remaining, 239.527344 MB of memory in use. ENERGY: 3098400 3976.1105 20541.9824 14475.6627 233.6073 -203290.4664 2586.9799 0.0000 0.0000 52341.6879 -109134.4356 300.8084 -161476.1235 -108767.3640 300.5687 -5.8402 27.5761 760956.7872 2.5323 2.4202 PRESSURE: 3098600 -80.3254 -57.0593 42.0446 -57.0594 -370.592 127.888 42.0452 127.888 -376.862 GPRESSURE: 3098600 -140.501 -89.7272 -17.0943 -65.67 -321.911 106.74 80.8998 133.842 -278.785 PRESSAVG: 3098600 -11.4728 -27.7045 -0.70656 -27.7045 -38.1054 3.50489 -0.706552 3.50493 4.07488 GPRESSAVG: 3098600 -13.4191 -27.7326 -0.359165 -26.945 -35.9314 3.69107 -0.707715 3.42306 3.59181 TIMING: 3098600 CPU: 9856.73, 0.00321067/step Wall: 9856.73, 0.00321067/step, 1.69577 hours remaining, 239.527344 MB of memory in use. ENERGY: 3098600 4071.6448 20556.5875 14492.8992 262.3885 -203594.8582 2508.2643 0.0000 0.0000 52310.5242 -109392.5497 300.6293 -161703.0739 -109024.1810 299.6078 -275.9264 -247.0658 761389.5489 -15.1678 -15.2529 PRESSURE: 3098800 -488.567 -119.368 -221.972 -119.368 -425.757 -46.9486 -221.972 -46.9488 -527.111 GPRESSURE: 3098800 -378.684 -107.499 -260.779 -173.382 -497.018 -95.6103 -81.497 -87.2101 -495.074 PRESSAVG: 3098800 72.4564 -51.3244 -2.97498 -51.3244 -52.863 21.6217 -2.975 21.6216 8.28292 GPRESSAVG: 3098800 74.3263 -53.0978 -5.07694 -52.1457 -53.9886 22.485 -1.70582 21.3608 7.22574 TIMING: 3098800 CPU: 9857.38, 0.00322942/step Wall: 9857.38, 0.00322942/step, 1.70549 hours remaining, 239.527344 MB of memory in use. ENERGY: 3098800 3990.8671 20641.3921 14517.1544 236.5917 -203336.4710 2359.1809 0.0000 0.0000 52271.1031 -109320.1816 300.4027 -161591.2848 -108957.7016 300.2666 -480.4782 -456.9252 763511.4051 9.2921 9.1878 PRESSURE: 3099000 -78.6833 54.153 206.122 54.1544 81.1012 245.263 206.123 245.263 -149.311 GPRESSURE: 3099000 -7.00957 -14.1395 153.836 74.177 97.2217 192.742 29.8933 177.338 -150.359 PRESSAVG: 3099000 20.0227 13.1927 8.08242 13.1927 -17.2098 -10.6263 8.08238 -10.6263 -26.2375 GPRESSAVG: 3099000 19.4231 14.2573 9.98038 13.0888 -17.5853 -10.9244 6.92314 -10.9534 -25.345 TIMING: 3099000 CPU: 9858.02, 0.0032262/step Wall: 9858.02, 0.0032262/step, 1.70361 hours remaining, 239.527344 MB of memory in use. ENERGY: 3099000 3918.8545 20687.9086 14465.8567 252.8207 -203803.8892 2774.0385 0.0000 0.0000 52093.4258 -109610.9843 299.3816 -161704.4101 -109245.0139 300.0631 -48.9642 -20.0490 761469.6822 -7.8082 -7.8357 PRESSURE: 3099200 261.086 84.9997 57.747 85.0001 -61.116 169.468 57.7473 169.468 -80.4715 GPRESSURE: 3099200 215.016 132.703 81.718 41.9237 5.54491 271.39 12.8522 230.154 -20.5012 PRESSAVG: 3099200 61.2373 -5.46537 4.18761 -5.46537 -53.5574 28.9901 4.18764 28.99 -4.77395 GPRESSAVG: 3099200 60.2437 -4.47826 2.70548 -6.27762 -51.6271 31.1167 4.63079 29.4779 -5.51548 TIMING: 3099200 CPU: 9858.66, 0.00319797/step Wall: 9858.66, 0.00319797/step, 1.68853 hours remaining, 239.527344 MB of memory in use. ENERGY: 3099200 4004.1868 20530.4006 14411.4062 252.9695 -203646.7503 2496.9722 0.0000 0.0000 52331.6777 -109619.1374 300.7509 -161950.8151 -109254.8891 299.5629 39.8328 66.6865 760167.2107 0.9686 1.0337 PRESSURE: 3099400 99.3839 -167.16 -104.111 -167.16 116.238 -183.379 -104.11 -183.378 298.46 GPRESSURE: 3099400 75.217 -137.09 -127.62 -205.337 143.62 -178.404 -23.4911 -177.188 379.15 PRESSAVG: 3099400 12.7891 -35.9186 -15.7867 -35.9186 4.74088 -15.5517 -15.7866 -15.5517 -11.8205 GPRESSAVG: 3099400 12.8378 -38.1083 -13.9251 -33.9671 4.11636 -17.5247 -15.0235 -16.5319 -11.7092 TIMING: 3099400 CPU: 9859.3, 0.00317891/step Wall: 9859.3, 0.00317891/step, 1.67829 hours remaining, 239.527344 MB of memory in use. ENERGY: 3099400 4027.5797 20678.6214 14462.9465 253.2524 -203830.4811 2779.0634 0.0000 0.0000 52020.7572 -109608.2605 298.9640 -161629.0177 -109249.5008 299.5214 171.3605 199.3288 760452.1893 1.9032 1.7483 PRESSURE: 3099600 278.632 -178.078 70.6466 -178.078 126.381 -65.197 70.6465 -65.1976 -56.6148 GPRESSURE: 3099600 398.397 -88.5581 36.1363 -169.012 164.488 -162.832 144.223 64.6133 -118.717 PRESSAVG: 3099600 -50.1128 18.435 32.2443 18.435 10.2229 -19.501 32.2444 -19.5009 -0.829335 GPRESSAVG: 3099600 -49.822 20.9931 31.0367 17.2719 9.84661 -20.0482 32.253 -16.8417 -0.282336 TIMING: 3099600 CPU: 9859.94, 0.00320183/step Wall: 9859.94, 0.00320183/step, 1.69021 hours remaining, 239.527344 MB of memory in use. ENERGY: 3099600 3927.4770 20433.6925 14501.0553 258.5172 -204203.0056 3161.5167 0.0000 0.0000 52036.4488 -109884.2981 299.0542 -161920.7469 -109521.4143 299.4016 116.1328 148.0561 758197.3196 -13.5731 -13.4192 PRESSURE: 3099800 -52.2177 -3.61616 44.8578 -3.61634 41.2828 89.7458 44.8577 89.7472 186.889 GPRESSURE: 3099800 41.942 -55.174 21.7081 -9.41961 29.0994 179.719 45.1435 124.113 209.934 PRESSAVG: 3099800 -21.6007 -58.2982 -21.806 -58.2982 17.6863 -25.7176 -21.806 -25.7176 -4.33666 GPRESSAVG: 3099800 -20.3269 -60.2365 -23.055 -55.2637 16.632 -23.5408 -21.6692 -27.7553 -4.90924 TIMING: 3099800 CPU: 9860.58, 0.00319447/step Wall: 9860.58, 0.00319447/step, 1.68615 hours remaining, 239.527344 MB of memory in use. ENERGY: 3099800 3931.6442 20552.6337 14445.0098 245.0569 -203319.9191 2341.3422 0.0000 0.0000 52024.1377 -109780.0947 298.9834 -161804.2324 -109416.2103 299.4891 58.6513 93.6584 757041.6314 -2.7504 -2.8680 PRESSURE: 3100000 -90.3575 94.9476 -70.3599 94.9479 -296.274 320.209 -70.3591 320.209 -116.551 GPRESSURE: 3100000 -105.541 31.3084 -125.198 126.148 -247.125 270.842 -130.872 304.992 -62.6448 PRESSAVG: 3100000 16.321 -53.9517 21.494 -53.9517 -23.1863 27.2732 21.494 27.2734 3.21879 GPRESSAVG: 3100000 15.0559 -52.5752 22.7811 -56.6335 -21.9271 25.9253 20.224 29.0109 3.9091 TIMING: 3100000 CPU: 9861.22, 0.00321088/step Wall: 9861.22, 0.00321088/step, 1.69463 hours remaining, 239.527344 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: 3100000 4069.3267 20397.4514 14387.3411 255.2676 -203594.7459 2658.1426 0.0000 0.0000 52214.7550 -109612.4615 300.0789 -161827.2165 -109252.5246 299.3549 -167.7273 -138.4371 759467.6854 -1.2155 -0.9874 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 -83.0169 -44.0833 -154.25 -44.0827 -147.578 69.551 -154.251 69.5504 144.816 GPRESSURE: 3100200 -38.2714 -96.9802 -87.555 -31.7327 -150.036 130.147 -227.342 126.954 164.752 PRESSAVG: 3100200 36.3691 -1.11339 -28.0624 -1.11339 -40.4264 -0.876476 -28.0624 -0.87648 0.831111 GPRESSAVG: 3100200 37.2434 -3.20153 -27.824 -1.37751 -41.6784 0.473167 -29.2033 -1.89694 1.17088 TIMING: 3100200 CPU: 9861.88, 0.00330555/step Wall: 9861.88, 0.00330555/step, 1.74441 hours remaining, 239.527344 MB of memory in use. ENERGY: 3100200 3972.7494 20655.8900 14482.4142 258.3432 -203569.5332 2630.6579 0.0000 0.0000 51957.4380 -109612.0406 298.6001 -161569.4786 -109256.0819 299.5335 -28.5929 -7.8518 759021.8323 -1.0754 -1.0880 LDB: ============= START OF LOAD BALANCING ============== 9874.34 LDB: ============== END OF LOAD BALANCING =============== 9874.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9874.34 LDB: ============= START OF LOAD BALANCING ============== 9874.66 LDB: Largest compute 7034 load 0.039196 is 20.1% of average load 0.195206 LDB: Average compute 0.004391 is 2.2% of average load 0.195206 LDB: TIME 9874.66 LOAD: AVG 0.195206 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 9874.66 LOAD: AVG 0.195206 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: TIME 9874.66 LOAD: AVG 0.195206 MAX 0.213761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: ============== END OF LOAD BALANCING =============== 9874.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9874.67 PRESSURE: 3100400 -103.465 106.497 115.521 106.498 -408.983 59.7521 115.521 59.7532 109.547 GPRESSURE: 3100400 -117.374 16.2341 139.611 118.434 -324.513 -59.2223 155.253 159.109 135.285 PRESSAVG: 3100400 17.9375 -2.97776 16.833 -2.97778 -14.4148 40.3974 16.833 40.3974 -6.65216 GPRESSAVG: 3100400 16.51 -1.90636 15.9828 -2.96447 -13.8589 38.3553 18.3919 41.6204 -5.33422 TIMING: 3100400 CPU: 9862.53, 0.00325462/step Wall: 9862.53, 0.00325462/step, 1.71736 hours remaining, 242.160156 MB of memory in use. ENERGY: 3100400 4084.3955 20522.2651 14467.1454 284.6160 -203471.1574 2624.1582 0.0000 0.0000 51942.4053 -109546.1720 298.5137 -161488.5774 -109174.8583 299.2093 -134.3003 -102.2007 759220.4727 -1.0432 -0.8944 PRESSURE: 3100600 222.376 4.31317 -144.29 4.31399 -220.649 -67.2491 -144.291 -67.2485 -67.2404 GPRESSURE: 3100600 256.713 5.77685 -133.101 12.3885 -198.575 -173.826 -125.867 6.90198 -27.9597 PRESSAVG: 3100600 -9.54224 4.92557 -20.2968 4.92558 -7.19769 -93.3395 -20.2968 -93.3395 21.6454 GPRESSAVG: 3100600 -9.30696 4.98294 -19.585 4.37113 -6.34633 -91.6171 -21.0856 -95.4565 20.9191 TIMING: 3100600 CPU: 9863.17, 0.00318379/step Wall: 9863.17, 0.00318379/step, 1.67981 hours remaining, 242.160156 MB of memory in use. ENERGY: 3100600 4069.8048 20449.5386 14474.7830 238.7194 -203722.9682 2775.1675 0.0000 0.0000 51922.7126 -109792.2422 298.4005 -161714.9548 -109430.7023 298.5227 -21.8375 10.0594 759606.8378 1.6352 1.7553 PRESSURE: 3100800 -151.686 -50.2665 172.116 -50.2667 -74.4797 -16.9114 172.116 -16.9105 -12.0229 GPRESSURE: 3100800 -96.1698 -96.4565 241.551 -29.7469 -2.42647 -28.3254 93.9779 -136.644 -44.9383 PRESSAVG: 3100800 79.346 -12.9526 -19.4354 -12.9526 -24.8352 -59.8666 -19.4355 -59.8666 14.0084 GPRESSAVG: 3100800 78.6224 -12.6212 -18.7858 -11.2508 -24.1713 -59.8157 -19.2599 -60.6006 13.8696 TIMING: 3100800 CPU: 9863.81, 0.00320327/step Wall: 9863.81, 0.00320327/step, 1.6899 hours remaining, 242.160156 MB of memory in use. ENERGY: 3100800 4035.3488 20520.3729 14416.4918 242.7722 -203306.0623 2393.0444 0.0000 0.0000 51886.0215 -109812.0107 298.1897 -161698.0322 -109448.5199 298.5144 -79.3964 -47.8448 760830.2615 22.8397 22.7736 PRESSURE: 3101000 -384.328 -27.0255 100.455 -27.0255 -276.995 -36.5296 100.455 -36.5298 -252.175 GPRESSURE: 3101000 -308.666 -88.4854 161.802 -25.4243 -246.847 -137.741 184.099 -24.7094 -265.152 PRESSAVG: 3101000 -6.64037 18.9583 27.7456 18.9583 -3.26011 -24.1511 27.7456 -24.151 -3.6428 GPRESSAVG: 3101000 -5.85817 19.9063 26.262 16.9756 -4.50454 -25.9889 29.1145 -24.0855 -3.53325 TIMING: 3101000 CPU: 9864.44, 0.00316388/step Wall: 9864.44, 0.00316388/step, 1.66895 hours remaining, 242.160156 MB of memory in use. ENERGY: 3101000 4048.9758 20428.0694 14466.1825 245.0630 -203492.1348 2412.5484 0.0000 0.0000 51928.7598 -109962.5360 298.4353 -161891.2957 -109605.1059 298.7195 -304.4994 -273.5551 760422.7372 -4.5144 -4.6320 PRESSURE: 3101200 -180.232 -247.688 48.0278 -247.687 236.26 -42.5 48.0268 -42.4994 110.647 GPRESSURE: 3101200 -133.095 -133.327 7.84588 -163.299 302.809 -62.8852 -28.7891 53.0805 71.9094 PRESSAVG: 3101200 30.7824 21.3433 -60.7739 21.3434 -62.1516 -42.3432 -60.7739 -42.3432 3.09898 GPRESSAVG: 3101200 30.4374 21.14 -59.4454 23.1008 -61.7763 -40.5798 -62.0383 -39.2513 3.19112 TIMING: 3101200 CPU: 9865.08, 0.00318747/step Wall: 9865.08, 0.00318747/step, 1.68122 hours remaining, 242.160156 MB of memory in use. ENERGY: 3101200 3956.8588 20580.7815 14448.0595 232.1038 -203569.7362 2580.8397 0.0000 0.0000 51895.2135 -109875.8794 298.2425 -161771.0929 -109516.4344 298.4998 55.5584 80.5408 759644.0575 -9.4234 -9.3826 PRESSURE: 3101400 -324.551 -1.88091 127.641 -1.88104 -492.522 157.883 127.641 157.882 -529.219 GPRESSURE: 3101400 -280.405 89.1315 139.19 -29.9868 -504.074 122.704 170.786 128.378 -479.483 PRESSAVG: 3101400 -26.8786 -2.38176 -40.0458 -2.38176 68.9786 4.16182 -40.0458 4.16179 -9.64438 GPRESSAVG: 3101400 -25.6634 -3.08602 -41.6134 -2.55936 68.4319 4.02175 -41.6374 4.09956 -11.1107 TIMING: 3101400 CPU: 9865.71, 0.00316708/step Wall: 9865.71, 0.00316708/step, 1.67028 hours remaining, 242.160156 MB of memory in use. ENERGY: 3101400 3999.7872 20471.5520 14531.0637 246.0590 -203233.4447 2299.5375 0.0000 0.0000 51902.0639 -109783.3814 298.2819 -161685.4453 -109424.4944 298.8627 -448.7639 -421.3207 762872.8102 10.8185 10.5526 PRESSURE: 3101600 17.0199 148.515 -91.5598 148.515 -92.2998 110.133 -91.5594 110.133 -363.915 GPRESSURE: 3101600 108.53 317.866 -51.6174 119.939 -63.4105 33.0195 -25.3617 96.9546 -384.578 PRESSAVG: 3101600 7.87742 42.1305 -3.54121 42.1304 -2.74077 24.2942 -3.54115 24.2942 9.47961 GPRESSAVG: 3101600 7.58481 42.8647 -2.647 41.1286 -1.74881 26.155 -1.18378 21.793 9.20205 TIMING: 3101600 CPU: 9866.35, 0.00318055/step Wall: 9866.35, 0.00318055/step, 1.67721 hours remaining, 242.160156 MB of memory in use. ENERGY: 3101600 4016.1818 20428.3723 14371.9219 250.3649 -203253.5442 2293.6529 0.0000 0.0000 51910.7317 -109982.3186 298.3317 -161893.0503 -109625.0453 298.4528 -146.3983 -113.1528 759486.1842 4.8721 5.0127 PRESSURE: 3101800 -153.085 -22.5101 17.5245 -22.5091 -74.2254 17.0247 17.5243 17.0237 -214.595 GPRESSURE: 3101800 -155.712 -113.247 -25.7628 34.432 7.05336 -10.1517 -1.4973 -75.2199 -214.345 PRESSAVG: 3101800 -3.02366 27.4633 -48.7808 27.4633 35.5937 26.3632 -48.7809 26.3632 -12.8636 GPRESSAVG: 3101800 -2.8585 26.8932 -49.5827 26.8894 34.311 25.6577 -49.9747 26.058 -11.7943 TIMING: 3101800 CPU: 9866.99, 0.00321151/step Wall: 9866.99, 0.00321151/step, 1.69336 hours remaining, 242.160156 MB of memory in use. ENERGY: 3101800 4066.0841 20450.0523 14451.8654 248.8496 -203675.5357 2525.2495 0.0000 0.0000 51949.8737 -109983.5612 298.5566 -161933.4348 -109614.9639 298.6568 -147.3020 -121.0012 758720.8472 6.5688 6.5527 PRESSURE: 3102000 -404.345 -41.8416 -81.3696 -41.841 -132.283 -141.941 -81.3696 -141.941 -206.202 GPRESSURE: 3102000 -356.095 48.7673 -87.178 93.6259 -145.858 -197.946 -59.6847 -75.8418 -168.611 PRESSAVG: 3102000 10.4923 25.8003 -48.8997 25.8004 -25.2773 -16.2812 -48.8997 -16.2812 11.8286 GPRESSAVG: 3102000 11.0152 26.0762 -47.5974 26.9692 -24.7133 -15.9719 -47.5435 -14.3471 10.9001 TIMING: 3102000 CPU: 9867.64, 0.00321738/step Wall: 9867.64, 0.00321738/step, 1.69627 hours remaining, 242.160156 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: 3102000 3955.8980 20614.2159 14524.9302 247.3641 -203525.3506 2339.2667 0.0000 0.0000 51939.0993 -109904.5763 298.4947 -161843.6756 -109547.4401 298.2019 -247.6103 -223.5214 760945.0221 -0.9855 -0.9327 PRESSURE: 3102200 106.413 -106.632 -112.698 -106.631 344.971 -21.7435 -112.697 -21.7434 -59.8848 GPRESSURE: 3102200 27.2363 -116.037 -68.4438 -79.4038 450.562 40.5426 -24.809 -91.3208 -0.663847 PRESSAVG: 3102200 36.1497 -73.8822 15.5052 -73.8822 -22.747 -50.7161 15.5053 -50.7161 -3.57504 GPRESSAVG: 3102200 35.1202 -73.9828 15.2461 -75.9137 -23.6708 -51.6203 14.7333 -50.372 -2.11204 TIMING: 3102200 CPU: 9868.28, 0.00320727/step Wall: 9868.28, 0.00320727/step, 1.69077 hours remaining, 242.160156 MB of memory in use. ENERGY: 3102200 3993.8111 20450.1318 14428.7766 260.4187 -204048.2106 2957.6214 0.0000 0.0000 51980.4328 -109977.0182 298.7323 -161957.4510 -109610.9303 298.7913 130.4995 159.0449 760951.2712 3.2759 3.1125 PRESSURE: 3102400 -71.3609 2.24535 9.7966 2.24481 -269.825 -39.0524 9.79728 -39.0529 220.292 GPRESSURE: 3102400 23.6024 -84.3953 4.92492 66.4436 -256.23 88.8256 -15.7382 -2.9659 189.465 PRESSAVG: 3102400 49.4456 -73.6 12.6944 -73.6 3.83092 -36.1519 12.6944 -36.1518 19.2688 GPRESSAVG: 3102400 48.9128 -74.5608 12.2705 -70.3678 5.05478 -36.9392 13.783 -36.2348 18.8251 TIMING: 3102400 CPU: 9868.91, 0.0031727/step Wall: 9868.91, 0.0031727/step, 1.67236 hours remaining, 242.160156 MB of memory in use. ENERGY: 3102400 3973.3724 20577.4986 14487.3725 255.0831 -203760.8975 2604.1765 0.0000 0.0000 52023.9295 -109839.4650 298.9822 -161863.3944 -109476.3753 298.7537 -40.2980 -14.3877 759929.8084 24.1818 24.2642 PRESSURE: 3102600 108.528 -244.578 -10.7592 -244.577 135.791 151.541 -10.7585 151.541 -194.068 GPRESSURE: 3102600 149.588 -321.133 -52.8669 -103.239 188.276 83.153 -62.1533 35.2288 -207.707 PRESSAVG: 3102600 42.7869 -33.8391 -16.1014 -33.8391 12.4004 -28.7768 -16.1014 -28.7768 1.06556 GPRESSAVG: 3102600 42.796 -34.7591 -15.05 -36.082 11.9604 -28.0677 -18.6664 -28.2575 1.56303 TIMING: 3102600 CPU: 9869.55, 0.00317439/step Wall: 9869.55, 0.00317439/step, 1.67308 hours remaining, 242.160156 MB of memory in use. ENERGY: 3102600 4009.7742 20405.9015 14555.0676 242.4900 -203751.7392 2791.4671 0.0000 0.0000 51784.4157 -109962.6231 297.6057 -161747.0388 -109589.6517 298.2196 16.7505 43.3854 760532.6698 18.7510 18.7731 PRESSURE: 3102800 104.432 124.127 -117.195 124.129 -29.1179 1.51382 -117.194 1.51517 -245.455 GPRESSURE: 3102800 125.414 132.374 -139.988 -10.4144 41.6847 64.1119 -236.761 99.8118 -266.573 PRESSAVG: 3102800 -7.36994 2.32843 -7.89814 2.32845 -19.2571 22.1779 -7.89817 22.1779 19.8046 GPRESSAVG: 3102800 -5.51978 3.82459 -8.9798 3.52918 -18.9773 21.4009 -5.90795 22.92 17.8601 TIMING: 3102800 CPU: 9870.18, 0.0031747/step Wall: 9870.18, 0.0031747/step, 1.67307 hours remaining, 242.160156 MB of memory in use. ENERGY: 3102800 4001.1171 20374.0672 14484.5232 246.6967 -203320.0402 2369.1453 0.0000 0.0000 52013.8857 -109830.6051 298.9245 -161844.4907 -109463.8431 297.9938 -56.7138 -33.1581 760461.9532 -2.2741 -2.2123 PRESSURE: 3103000 -275.239 92.5427 -157.297 92.5425 -345.19 31.0434 -157.298 31.0443 -18.0545 GPRESSURE: 3103000 -245.482 56.2217 -180.114 210.086 -272.516 24.2928 -122.101 -9.6219 -36.4942 PRESSAVG: 3103000 27.1873 -27.253 23.3007 -27.253 32.8237 38.7464 23.3006 38.7464 -5.48364 GPRESSAVG: 3103000 26.8212 -29.3852 23.2637 -27.1212 31.027 39.9068 22.2971 38.2507 -3.61641 TIMING: 3103000 CPU: 9870.83, 0.00323282/step Wall: 9870.83, 0.00323282/step, 1.70351 hours remaining, 242.160156 MB of memory in use. ENERGY: 3103000 3993.9051 20403.2342 14431.2872 253.7810 -203212.5305 2287.4188 0.0000 0.0000 52014.6679 -109828.2363 298.9290 -161842.9042 -109464.7576 298.4477 -212.8277 -184.8310 762280.9771 18.1758 18.0773 PRESSURE: 3103200 12.4045 -184.813 -15.7325 -184.813 -143.725 314.788 -15.7321 314.788 -112.292 GPRESSURE: 3103200 -4.99992 -79.3836 18.0862 -242.029 -145.636 262.001 4.21173 378.023 -5.92275 PRESSAVG: 3103200 -35.8631 -42.9782 -6.75052 -42.9782 19.1657 40.6908 -6.75049 40.6909 -0.414858 GPRESSAVG: 3103200 -37.8834 -43.3248 -6.16847 -43.3261 20.5546 40.5359 -4.94272 41.628 -0.221719 TIMING: 3103200 CPU: 9871.46, 0.00316421/step Wall: 9871.46, 0.00316421/step, 1.66719 hours remaining, 242.160156 MB of memory in use. ENERGY: 3103200 3973.0085 20534.9579 14504.3181 247.8498 -203237.1636 2354.0994 0.0000 0.0000 52097.0787 -109525.8512 299.4026 -161622.9300 -109172.6415 298.7418 -81.2039 -52.1863 760423.4780 -5.7041 -5.8502 PRESSURE: 3103400 71.9648 -297.579 -68.4574 -297.578 -306.845 177.757 -68.457 177.757 256.593 GPRESSURE: 3103400 6.35311 -126.748 -77.3458 -206.923 -182.319 97.3549 -117.726 8.97293 267.435 PRESSAVG: 3103400 6.60422 -47.0673 10.7762 -47.0673 -10.3482 -5.67541 10.7762 -5.67544 10.3127 GPRESSAVG: 3103400 7.77591 -44.6049 11.3517 -47.4789 -11.5703 -5.78202 8.98205 -8.27071 10.5298 TIMING: 3103400 CPU: 9872.09, 0.00315943/step Wall: 9872.09, 0.00315943/step, 1.66449 hours remaining, 242.160156 MB of memory in use. ENERGY: 3103400 3996.7128 20547.6347 14482.3901 257.5620 -203536.9479 2590.8111 0.0000 0.0000 52022.6005 -109639.2368 298.9746 -161661.8372 -109275.0263 299.3114 7.2375 30.4895 761412.7326 2.1896 2.2451 PRESSURE: 3103600 148.817 121.471 186.259 121.47 43.2507 -68.7601 186.259 -68.7596 539.167 GPRESSURE: 3103600 191.669 58.8912 141.056 99.7029 63.3962 -90.5597 181.097 -138.608 565.845 PRESSAVG: 3103600 16.044 -56.3928 7.68349 -56.3928 -35.5518 -9.39869 7.68345 -9.3987 8.37135 GPRESSAVG: 3103600 16.1838 -58.4535 6.82108 -56.6679 -33.7225 -11.2736 7.06467 -8.14777 6.28395 TIMING: 3103600 CPU: 9872.73, 0.00318548/step Wall: 9872.73, 0.00318548/step, 1.67804 hours remaining, 242.160156 MB of memory in use. ENERGY: 3103600 3984.6714 20528.8760 14522.2360 233.7339 -203739.0851 2700.8199 0.0000 0.0000 52272.4435 -109496.3043 300.4105 -161768.7478 -109143.9219 299.5542 243.7450 273.6368 760538.3293 -3.7122 -3.7516 PRESSURE: 3103800 -102.573 -66.2287 102.408 -66.2288 -91.156 -150.212 102.407 -150.212 65.3898 GPRESSURE: 3103800 -75.3711 71.4167 111.372 -9.15554 -74.34 -163.33 109.899 -110.821 109.715 PRESSAVG: 3103800 15.6341 -18.1688 1.51042 -18.1689 25.981 -17.0563 1.51043 -17.0563 4.22469 GPRESSAVG: 3103800 15.7656 -17.6708 1.82424 -17.1435 25.5486 -16.5345 3.79583 -16.8291 4.15275 TIMING: 3103800 CPU: 9873.37, 0.00319564/step Wall: 9873.37, 0.00319564/step, 1.68321 hours remaining, 242.160156 MB of memory in use. ENERGY: 3103800 3938.3915 20575.8758 14529.3171 250.9535 -203873.1115 2413.2205 0.0000 0.0000 52552.8599 -109612.4932 302.0220 -162165.3531 -109245.4680 299.1553 -42.7796 -13.3319 760167.9280 15.2799 15.1557 PRESSURE: 3104000 -177.822 80.8129 44.406 80.8131 -403.757 98.8328 44.406 98.8336 -212.036 GPRESSURE: 3104000 -82.6687 27.2733 -6.20633 233.032 -410.317 36.2508 -9.55304 97.7182 -199.788 PRESSAVG: 3104000 -8.72049 -1.37724 16.7246 -1.37716 14.7742 -50.6354 16.7245 -50.6353 34.4899 GPRESSAVG: 3104000 -7.78004 -0.989584 16.1623 -4.15518 13.6645 -49.2809 15.7286 -52.0435 35.0347 TIMING: 3104000 CPU: 9874, 0.00317664/step Wall: 9874, 0.00317664/step, 1.67303 hours remaining, 242.160156 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: 3104000 4063.9800 20476.6095 14462.7011 253.3799 -203280.5806 2533.5104 0.0000 0.0000 51758.7737 -109731.6262 297.4584 -161490.3998 -109369.1488 299.1351 -264.5382 -230.9246 760655.3207 13.5145 13.6397 PRESSURE: 3104200 -206.681 118.896 -83.9049 118.897 113.128 -102.514 -83.9045 -102.514 -222.87 GPRESSURE: 3104200 -143.468 6.02803 -121.449 139.556 135.169 -159.281 -51.1377 -154.937 -229.177 PRESSAVG: 3104200 22.5308 31.3463 19.1091 31.3463 -15.9653 -29.892 19.1091 -29.8921 -0.893775 GPRESSAVG: 3104200 21.9133 29.86 18.7925 34.0697 -14.9335 -29.3835 19.5295 -29.7907 -1.08861 TIMING: 3104200 CPU: 9874.64, 0.00317577/step Wall: 9874.64, 0.00317578/step, 1.6724 hours remaining, 242.160156 MB of memory in use. ENERGY: 3104200 3999.5881 20520.2562 14402.0651 256.7118 -203200.4906 2195.9948 0.0000 0.0000 51965.2856 -109860.5890 298.6452 -161825.8746 -109499.3942 298.9507 -105.4743 -79.1587 761154.5331 1.8906 1.9637 LDB: ============= START OF LOAD BALANCING ============== 9887.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9887.09 LDB: =============== DONE WITH MIGRATION ================ 9887.09 LDB: ============= START OF LOAD BALANCING ============== 9887.41 LDB: Largest compute 7070 load 0.039023 is 20.0% of average load 0.195278 LDB: Average compute 0.004394 is 2.2% of average load 0.195278 LDB: TIME 9887.42 LOAD: AVG 0.195278 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.781 MB LDB: TIME 9887.42 LOAD: AVG 0.195278 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.852 MB LDB: TIME 9887.42 LOAD: AVG 0.195278 MAX 0.214586 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.852 MB LDB: ============== END OF LOAD BALANCING =============== 9887.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9887.42 PRESSURE: 3104400 633.889 -161.401 -57.7722 -161.4 358.616 -64.6787 -57.7724 -64.6793 386.68 GPRESSURE: 3104400 606.648 -211.346 -31.4972 -161.823 459.465 -85.7282 -131.514 -80.2062 390.324 PRESSAVG: 3104400 -2.44032 -35.4741 -31.3063 -35.4741 16.6153 -57.9207 -31.3063 -57.9207 0.531326 GPRESSAVG: 3104400 -1.62136 -36.4508 -31.4871 -36.1338 15.1482 -58.6408 -32.2425 -56.3601 1.5375 TIMING: 3104400 CPU: 9875.29, 0.00323844/step Wall: 9875.29, 0.00323844/step, 1.70522 hours remaining, 240.230469 MB of memory in use. ENERGY: 3104400 3933.5933 20431.8272 14460.3475 234.1498 -203489.3360 2558.4015 0.0000 0.0000 51831.0375 -110039.9792 297.8737 -161871.0167 -109677.0609 298.1558 459.7285 485.4792 759833.8907 4.9021 5.0214 PRESSURE: 3104600 148.028 13.489 -7.7876 13.4883 -78.6889 -76.9252 -7.78745 -76.9258 -249.39 GPRESSURE: 3104600 108.573 -50.3557 11.1649 -72.4198 12.1654 -98.2635 -36.0132 -5.03515 -182.799 PRESSAVG: 3104600 -30.3034 3.24945 -27.7913 3.24943 28.5487 45.4157 -27.7913 45.4157 -12.4019 GPRESSAVG: 3104600 -30.7124 5.46772 -26.6045 3.14495 28.8719 46.2425 -25.6805 43.133 -12.5246 TIMING: 3104600 CPU: 9875.93, 0.00320372/step Wall: 9875.93, 0.00320372/step, 1.68676 hours remaining, 240.230469 MB of memory in use. ENERGY: 3104600 3998.3355 20347.5083 14455.5287 231.3344 -203460.0449 2460.2596 0.0000 0.0000 52228.5579 -109738.5206 300.1582 -161967.0784 -109382.0380 298.2548 -60.0170 -20.6867 761191.9014 -4.7189 -4.7883 PRESSURE: 3104800 -6.17576 -10.3748 -121.31 -10.3759 -265.084 19.0388 -121.309 19.0404 82.4218 GPRESSURE: 3104800 79.9733 -108.038 -90.1094 -105.028 -198.499 42.5153 -227.383 -31.4522 11.3922 PRESSAVG: 3104800 -28.6862 -32.373 24.2603 -32.373 49.6368 44.8738 24.2603 44.8737 0.685854 GPRESSAVG: 3104800 -28.9869 -31.8935 23.5279 -32.5478 50.3526 44.4896 23.4771 47.4476 0.383645 TIMING: 3104800 CPU: 9876.57, 0.00319915/step Wall: 9876.57, 0.00319915/step, 1.68417 hours remaining, 240.230469 MB of memory in use. ENERGY: 3104800 3931.3791 20462.2434 14424.8444 265.7017 -203449.8230 2621.6278 0.0000 0.0000 51925.7340 -109818.2925 298.4179 -161744.0265 -109453.7859 298.7857 -62.9460 -35.7112 761578.1025 7.2121 7.2498 PRESSURE: 3105000 373.003 10.9869 -130.802 10.9868 26.7511 -15.1288 -130.802 -15.1293 -168.303 GPRESSURE: 3105000 417.151 -24.7885 -144.575 24.3282 -21.0795 9.0157 -214.851 71.263 -97.0801 PRESSAVG: 3105000 20.3594 45.8151 17.8847 45.8151 -60.3389 26.9956 17.8848 26.9956 4.42626 GPRESSAVG: 3105000 19.9283 43.0251 16.9839 46.4104 -60.4996 27.2746 17.8366 26.3002 4.70246 TIMING: 3105000 CPU: 9877.21, 0.00319882/step Wall: 9877.21, 0.00319882/step, 1.68382 hours remaining, 240.230469 MB of memory in use. ENERGY: 3105000 3983.3197 20405.7219 14516.5481 246.4517 -203213.1046 2717.0689 0.0000 0.0000 51794.8852 -109549.1092 297.6659 -161343.9943 -109192.1565 298.2814 77.1502 99.6640 760874.8402 -11.8511 -11.9563 PRESSURE: 3105200 -385.201 178.577 -86.9105 178.576 -72.1527 -24.6419 -86.911 -24.6416 206.573 GPRESSURE: 3105200 -294.464 128.468 -55.6719 169.99 -105.473 31.1496 -103.313 -94.3516 236.327 PRESSAVG: 3105200 -13.5458 69.6249 -28.5935 69.6249 -10.0377 17.825 -28.5935 17.825 -2.82665 GPRESSAVG: 3105200 -12.7244 71.3069 -26.315 69.9746 -10.5527 17.9479 -29.73 17.3862 -3.32313 TIMING: 3105200 CPU: 9877.85, 0.00320363/step Wall: 9877.85, 0.00320363/step, 1.68618 hours remaining, 240.230469 MB of memory in use. ENERGY: 3105200 3914.8306 20330.3904 14449.0595 252.5178 -203072.3981 2392.5382 0.0000 0.0000 52098.6495 -109634.4122 299.4117 -161733.0617 -109267.1563 298.9641 -83.5934 -54.5366 759740.8533 -8.8034 -8.8668 PRESSURE: 3105400 85.756 -53.5227 -175.607 -53.5235 56.8467 -76.4241 -175.607 -76.4234 30.0201 GPRESSURE: 3105400 101.008 -62.8771 -259.697 46.8763 107.568 -35.1419 29.6748 -102.351 43.9259 PRESSAVG: 3105400 14.0187 27.3263 24.4039 27.3262 -21.284 -32.0131 24.4039 -32.013 4.67329 GPRESSAVG: 3105400 12.2689 28.4304 23.7009 28.2208 -21.03 -32.7135 26.0712 -31.1969 5.69278 TIMING: 3105400 CPU: 9878.49, 0.0032077/step Wall: 9878.49, 0.0032077/step, 1.68814 hours remaining, 240.230469 MB of memory in use. ENERGY: 3105400 3935.1794 20479.9762 14401.3263 245.2293 -203148.7023 2487.2644 0.0000 0.0000 51959.5856 -109640.1410 298.6125 -161599.7266 -109281.5222 298.6238 57.5409 84.1673 759607.2340 -0.8640 -1.0228 PRESSURE: 3105600 16.904 -98.2063 -73.0231 -98.205 -132.594 14.5701 -73.0233 14.57 285.688 GPRESSURE: 3105600 132.58 -76.6739 -80.1358 -21.1715 -54.0703 -11.1432 -152.596 -98.0712 181.329 PRESSAVG: 3105600 35.7814 -25.2762 -7.93833 -25.2762 -4.21135 -43.1129 -7.93843 -43.1128 -6.01362 GPRESSAVG: 3105600 36.7464 -24.1238 -7.96515 -27.4335 -2.78372 -42.207 -7.37116 -45.5414 -8.11149 TIMING: 3105600 CPU: 9879.13, 0.00320722/step Wall: 9879.13, 0.00320722/step, 1.68771 hours remaining, 240.230469 MB of memory in use. ENERGY: 3105600 3970.3668 20493.5196 14512.7382 227.2307 -203582.1067 2746.7348 0.0000 0.0000 52087.6666 -109543.8500 299.3485 -161631.5166 -109174.6805 298.9150 56.6659 86.6128 760821.2549 8.5188 8.6171 PRESSURE: 3105800 -370.37 42.8999 -146.057 42.8987 -163.567 -189.486 -146.057 -189.485 -120.048 GPRESSURE: 3105800 -264.417 3.89568 -92.0007 8.19721 -148.792 -119.364 -139.222 -213.007 -161.603 PRESSAVG: 3105800 -2.91777 -15.8084 -33.2356 -15.8084 -53.21 -28.7531 -33.2357 -28.7531 23.5615 GPRESSAVG: 3105800 -4.19065 -16.5488 -33.245 -14.1719 -55.0391 -30.4405 -35.1462 -24.9572 25.7917 TIMING: 3105800 CPU: 9879.77, 0.00318611/step Wall: 9879.77, 0.00318611/step, 1.67642 hours remaining, 240.230469 MB of memory in use. ENERGY: 3105800 3955.8510 20703.0386 14481.2153 262.1935 -202980.4951 2178.2894 0.0000 0.0000 52000.3345 -109399.5727 298.8466 -161399.9072 -109033.8479 299.6798 -217.9954 -191.6040 760739.9932 -10.8554 -11.1460 PRESSURE: 3106000 -14.3581 13.0223 -120.162 13.0224 -306.492 -136.825 -120.163 -136.824 -89.677 GPRESSURE: 3106000 -18.1839 40.489 -139.469 -62.2985 -216.973 -92.1864 -170.581 -102.763 -90.0899 PRESSAVG: 3106000 39.7252 -5.38016 14.7806 -5.38019 -21.1938 -33.8583 14.7806 -33.8584 -23.7985 GPRESSAVG: 3106000 40.5818 -7.26155 14.8368 -6.73773 -20.482 -32.8334 14.9149 -35.0572 -25.4793 TIMING: 3106000 CPU: 9880.41, 0.00319351/step Wall: 9880.41, 0.00319351/step, 1.68014 hours remaining, 240.230469 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: 3106000 4081.4045 20517.4212 14507.3174 245.4920 -203051.6021 2337.8861 0.0000 0.0000 52050.3271 -109311.7539 299.1339 -161362.0809 -108948.1440 299.7648 -136.8425 -108.4156 760688.5026 -1.7557 -1.7932 PRESSURE: 3106200 -171.905 188.599 126.241 188.599 -358.647 117.543 126.241 117.543 16.8496 GPRESSURE: 3106200 -117.092 129.452 209.787 175.731 -323.196 16.6802 91.0943 -10.6786 18.3229 PRESSAVG: 3106200 -13.5788 -39.1706 10.5952 -39.1705 -26.2844 -3.9987 10.5951 -3.99871 16.4319 GPRESSAVG: 3106200 -15.8821 -38.091 10.4837 -37.9609 -26.7467 -4.99454 10.7996 -4.73844 18.9478 TIMING: 3106200 CPU: 9881.04, 0.00317111/step Wall: 9881.04, 0.00317111/step, 1.66818 hours remaining, 240.230469 MB of memory in use. ENERGY: 3106200 3987.1028 20588.8620 14475.0942 252.3654 -203162.3277 2448.5468 0.0000 0.0000 51960.9946 -109449.3619 298.6205 -161410.3565 -109098.3420 299.7452 -171.2343 -140.6550 761722.3226 -7.8104 -7.8937 PRESSURE: 3106400 -53.7956 -434.581 185.598 -434.582 46.5213 -246.407 185.599 -246.406 204.328 GPRESSURE: 3106400 8.16237 -461.84 177.199 -467.787 38.1047 -184.07 102.248 -64.9346 229.29 PRESSAVG: 3106400 14.0735 -72.1962 -1.3056 -72.1962 -53.0008 -26.3935 -1.30562 -26.3934 24.242 GPRESSAVG: 3106400 14.9022 -70.5279 -2.67339 -72.6239 -52.4096 -25.211 -2.22919 -25.5363 22.7901 TIMING: 3106400 CPU: 9881.68, 0.00319715/step Wall: 9881.68, 0.00319715/step, 1.6817 hours remaining, 240.230469 MB of memory in use. ENERGY: 3106400 4003.2231 20420.8015 14499.3739 251.0913 -203374.9030 2577.5578 0.0000 0.0000 52108.6209 -109514.2345 299.4690 -161622.8554 -109146.5601 299.3613 65.6846 91.8525 760144.3636 -4.8951 -4.9058 PRESSURE: 3106600 -219.647 126.795 -87.8992 126.795 -244.565 291.313 -87.8989 291.313 316.654 GPRESSURE: 3106600 -190.192 44.2776 -81.1534 84.1104 -232.558 362.975 -250.891 84.5617 367.045 PRESSAVG: 3106600 55.5132 -62.6567 34.4013 -62.6567 -23.8751 -52.5936 34.4014 -52.5936 -3.94643 GPRESSAVG: 3106600 55.0521 -62.5311 34.6955 -63.4165 -24.0806 -52.9886 35.6102 -52.942 -3.31599 TIMING: 3106600 CPU: 9882.32, 0.00320961/step Wall: 9882.32, 0.00320961/step, 1.68808 hours remaining, 240.230469 MB of memory in use. ENERGY: 3106600 4000.1465 20340.9078 14546.7443 245.4095 -203434.0109 2529.6577 0.0000 0.0000 52199.4616 -109571.6835 299.9910 -161771.1451 -109213.7234 299.4494 -49.1860 -18.5684 757805.0851 9.2306 9.2185 PRESSURE: 3106800 -67.7887 -113.153 -21.0042 -113.154 1.49019 -91.6892 -21.0031 -91.6882 -291.5 GPRESSURE: 3106800 6.0787 -88.0216 -44.6608 -183.386 31.3567 -0.90541 28.2782 -123.031 -293.713 PRESSAVG: 3106800 4.60578 -55.0896 1.1199 -55.0896 14.4336 2.98461 1.11991 2.98457 0.963758 GPRESSAVG: 3106800 5.12196 -57.0236 2.69072 -53.5593 13.6943 2.57071 1.08553 1.92244 1.40373 TIMING: 3106800 CPU: 9882.96, 0.00317633/step Wall: 9882.96, 0.00317633/step, 1.6704 hours remaining, 240.230469 MB of memory in use. ENERGY: 3106800 4053.8255 20548.5667 14474.3701 245.1765 -203097.4947 2075.9589 0.0000 0.0000 52261.8005 -109437.7965 300.3493 -161699.5970 -109069.2943 299.2212 -119.2661 -85.4259 759667.7335 6.6677 6.7400 PRESSURE: 3107000 125.227 -78.4615 196.634 -78.4615 -23.956 -155.654 196.635 -155.655 -74.7107 GPRESSURE: 3107000 49.0062 -79.3783 204.961 47.1863 57.8211 -143.421 203.017 -264.287 -2.8564 PRESSAVG: 3107000 -3.69627 22.8082 -1.2613 22.8083 6.25452 -56.3141 -1.26134 -56.3141 21.2226 GPRESSAVG: 3107000 -3.02088 22.4683 -2.57153 21.8476 7.41533 -56.0452 0.125095 -54.5707 19.7807 TIMING: 3107000 CPU: 9883.59, 0.00318489/step Wall: 9883.59, 0.00318489/step, 1.67472 hours remaining, 240.230469 MB of memory in use. ENERGY: 3107000 4028.1274 20569.4723 14585.3675 245.3987 -203205.4219 2502.7161 0.0000 0.0000 51847.6647 -109426.6751 297.9692 -161274.3398 -109071.2814 299.8594 8.8536 34.6570 758374.4870 7.9270 8.0584 PRESSURE: 3107200 -317.353 -270.598 -253.997 -270.597 65.5871 141.249 -253.998 141.249 55.9191 GPRESSURE: 3107200 -221.261 -229.632 -356.207 -254.755 59.5271 211.219 -53.0611 73.3957 35.9951 PRESSAVG: 3107200 10.32 -21.0549 4.51365 -21.0549 -21.3851 -61.5705 4.51365 -61.5705 -18.7223 GPRESSAVG: 3107200 10.0261 -21.5217 7.49002 -19.7619 -21.5552 -60.7239 4.23887 -64.9277 -18.54 TIMING: 3107200 CPU: 9884.23, 0.00318521/step Wall: 9884.23, 0.00318521/step, 1.67471 hours remaining, 240.230469 MB of memory in use. ENERGY: 3107200 4035.8315 20623.5832 14510.3127 253.0950 -203420.4842 2543.6391 0.0000 0.0000 51934.0591 -109519.9636 298.4658 -161454.0227 -109165.3232 299.2907 -65.2821 -41.9130 759619.5157 -9.9292 -10.0230 PRESSURE: 3107400 -437.527 93.8903 139.771 93.8905 -632.846 51.1743 139.77 51.1746 27.4218 GPRESSURE: 3107400 -420.451 51.8128 210.727 -8.0464 -558.085 93.1049 57.1121 0.00577761 27.4291 PRESSAVG: 3107400 33.1262 -17.5331 8.50547 -17.533 -33.0242 -40.5467 8.50547 -40.5468 11.2124 GPRESSAVG: 3107400 34.146 -16.3654 5.8572 -19.8859 -32.2642 -42.1157 7.06699 -37.7051 10.1136 TIMING: 3107400 CPU: 9884.87, 0.00319106/step Wall: 9884.87, 0.00319106/step, 1.67761 hours remaining, 240.230469 MB of memory in use. ENERGY: 3107400 3982.6981 20482.3536 14531.2197 262.0879 -203136.3677 2171.9542 0.0000 0.0000 52211.0308 -109495.0234 300.0575 -161706.0542 -109127.9567 299.4740 -347.6504 -317.0354 759260.4431 3.7715 3.9985 PRESSURE: 3107600 -39.2957 103.164 93.9005 103.165 -164.76 -128.067 93.8997 -128.067 98.0375 GPRESSURE: 3107600 19.3698 116.507 102.676 70.8856 -170.306 -138.68 -3.86561 -69.174 121.652 PRESSAVG: 3107600 17.7411 -29.6221 -27.1857 -29.622 -20.3381 -27.95 -27.1857 -27.95 -2.79164 GPRESSAVG: 3107600 16.2786 -29.9783 -23.6903 -29.1151 -21.5265 -27.3055 -30.3265 -30.1285 -0.307583 TIMING: 3107600 CPU: 9885.51, 0.00318249/step Wall: 9885.51, 0.00318249/step, 1.67293 hours remaining, 240.230469 MB of memory in use. ENERGY: 3107600 4024.6035 20549.0674 14567.8658 244.9099 -203353.2264 2661.0769 0.0000 0.0000 51796.3848 -109509.3181 297.6745 -161305.7029 -109158.3106 299.4842 -35.3394 -9.7612 761244.3459 -1.7962 -1.8519 PRESSURE: 3107800 -197.504 53.8982 89.3108 53.8984 -262.215 -98.1632 89.3102 -98.1642 -101.095 GPRESSURE: 3107800 -203.975 122.63 122.914 37.358 -175.858 -87.4113 114.415 -88.8879 -95.2116 PRESSAVG: 3107800 -37.1434 77.4781 -36.2553 77.4781 -25.8519 -78.3474 -36.2554 -78.3473 -0.951964 GPRESSAVG: 3107800 -37.8282 77.9677 -40.5086 77.6316 -24.4169 -78.2501 -32.3909 -77.5688 -1.73795 TIMING: 3107800 CPU: 9886.14, 0.00317814/step Wall: 9886.14, 0.00317814/step, 1.67047 hours remaining, 240.230469 MB of memory in use. ENERGY: 3107800 3991.2406 20511.9076 14501.2954 236.5373 -203051.4050 2205.3000 0.0000 0.0000 52278.8285 -109326.2957 300.4471 -161605.1241 -108955.1319 299.5054 -186.9378 -158.3483 762286.7239 -21.3158 -21.3277 PRESSURE: 3108000 -5.58696 158.032 -184.643 158.031 149.4 158.008 -184.643 158.008 -164.973 GPRESSURE: 3108000 24.1859 109.552 -139.168 169.347 88.463 51.5374 -52.6445 278.947 -71.5155 PRESSAVG: 3108000 -50.7846 44.0453 6.91881 44.0453 35.7253 17.7048 6.91882 17.7049 19.1487 GPRESSAVG: 3108000 -49.7421 43.5614 9.01503 45.6628 34.1528 15.697 5.27942 18.887 19.4286 TIMING: 3108000 CPU: 9886.78, 0.00318887/step Wall: 9886.78, 0.00318887/step, 1.67593 hours remaining, 240.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 4012.1533 20670.2862 14541.7987 252.7377 -203644.4927 2694.6220 0.0000 0.0000 52082.4144 -109390.4804 299.3184 -161472.8948 -109040.5229 299.7616 -7.0533 13.7111 759894.8787 1.3631 1.2798 PRESSURE: 3108200 -119.68 152.573 105.691 152.573 -173.916 -189.01 105.691 -189.009 -29.8377 GPRESSURE: 3108200 -104.613 152.25 162.524 203.626 -60.3972 -114.111 57.9359 -197.104 -77.5737 PRESSAVG: 3108200 -45.3982 1.69828 12.8057 1.69831 26.4537 63.7815 12.8056 63.7816 -2.29581 GPRESSAVG: 3108200 -45.0908 -0.585972 11.958 1.43168 26.2162 64.5055 12.8708 64.6414 -2.25038 TIMING: 3108200 CPU: 9887.42, 0.00319601/step Wall: 9887.42, 0.00319601/step, 1.6795 hours remaining, 240.230469 MB of memory in use. ENERGY: 3108200 3990.5543 20513.9365 14506.5123 246.5863 -203209.4254 2316.4037 0.0000 0.0000 52028.6454 -109606.7869 299.0093 -161635.4322 -109243.4478 299.6368 -107.8112 -80.8614 760478.2018 -7.0801 -7.0417 LDB: ============= START OF LOAD BALANCING ============== 9899.87 LDB: ============== END OF LOAD BALANCING =============== 9899.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9899.87 LDB: ============= START OF LOAD BALANCING ============== 9900.19 LDB: Largest compute 7070 load 0.037238 is 19.1% of average load 0.195295 LDB: Average compute 0.004404 is 2.3% of average load 0.195295 LDB: TIME 9900.2 LOAD: AVG 0.195295 MAX 0.214175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.461 MB LDB: TIME 9900.2 LOAD: AVG 0.195295 MAX 0.214175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.461 MB LDB: TIME 9900.2 LOAD: AVG 0.195295 MAX 0.214175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.461 MB LDB: ============== END OF LOAD BALANCING =============== 9900.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9900.2 PRESSURE: 3108400 155.702 -84.2957 -62.8809 -84.2965 224.144 -131.57 -62.8808 -131.569 265.744 GPRESSURE: 3108400 117.749 -102.149 17.1239 -37.2374 252.224 -79.9785 92.0613 -241.952 353.828 PRESSAVG: 3108400 -59.0903 -21.0064 28.5792 -21.0064 20.8777 -6.27122 28.5791 -6.27129 -15.2806 GPRESSAVG: 3108400 -60.1571 -19.1935 29.5887 -23.285 21.4428 -6.32359 29.6063 -8.02441 -14.5832 TIMING: 3108400 CPU: 9888.07, 0.00324548/step Wall: 9888.07, 0.00324548/step, 1.70532 hours remaining, 240.039062 MB of memory in use. ENERGY: 3108400 3893.9441 20601.5228 14472.6765 262.2879 -203618.1243 2590.5132 0.0000 0.0000 52131.4963 -109665.6835 299.6004 -161797.1798 -109299.3279 299.3410 215.1966 241.2672 758726.5357 -17.8310 -17.7659 PRESSURE: 3108600 -408.88 -187.83 41.014 -187.829 -143.157 -114.246 41.014 -114.247 -294.138 GPRESSURE: 3108600 -276.82 -218.118 77.2749 -206.488 -226.479 0.289462 -73.2957 -151.945 -255.653 PRESSAVG: 3108600 4.41505 -79.0741 -28.96 -79.0741 -5.37922 8.79268 -28.9599 8.79273 -29.6989 GPRESSAVG: 3108600 5.68674 -81.653 -29.2371 -77.2831 -5.96787 10.3363 -29.231 8.03582 -30.7333 TIMING: 3108600 CPU: 9888.7, 0.00318025/step Wall: 9888.7, 0.00318025/step, 1.67087 hours remaining, 240.238281 MB of memory in use. ENERGY: 3108600 4049.4377 20704.8546 14467.5648 244.7783 -203492.7456 2238.7784 0.0000 0.0000 52291.8327 -109495.4992 300.5219 -161787.3319 -109127.6580 299.7120 -282.0584 -252.9839 760936.6940 -10.2210 -10.3381 PRESSURE: 3108800 313.592 -31.1244 33.7619 -31.1242 -376.347 42.1728 33.7609 42.1735 207.53 GPRESSURE: 3108800 234.269 56.2077 52.7109 -15.6387 -240.925 -34.9298 75.5938 24.6557 244.476 PRESSAVG: 3108800 34.0596 -89.4696 17.1521 -89.4697 -16.835 -43.89 17.1521 -43.8901 -9.71354 GPRESSAVG: 3108800 33.5933 -88.3345 18.3875 -88.6815 -15.6034 -45.0877 18.914 -41.7815 -10.1433 TIMING: 3108800 CPU: 9889.34, 0.00318129/step Wall: 9889.34, 0.00318129/step, 1.67124 hours remaining, 240.238281 MB of memory in use. ENERGY: 3108800 3947.2919 20498.0755 14478.6543 229.9873 -203051.6009 2387.9888 0.0000 0.0000 52143.8605 -109365.7425 299.6715 -161509.6030 -109000.4454 299.4842 48.2584 79.2730 759463.5516 2.5037 2.6155 PRESSURE: 3109000 55.9747 -72.3843 210.194 -72.3834 -313.327 -60.2197 210.194 -60.2195 -0.410942 GPRESSURE: 3109000 29.2331 -66.7574 241.581 -116.363 -303.551 -25.1244 75.2496 -90.8627 93.402 PRESSAVG: 3109000 -26.9733 -48.0972 21.6449 -48.0971 37.9991 -26.1827 21.645 -26.1827 27.7704 GPRESSAVG: 3109000 -27.6394 -45.7194 20.6737 -50.3968 37.454 -26.1514 18.6291 -25.9502 29.29 TIMING: 3109000 CPU: 9889.97, 0.00316818/step Wall: 9889.97, 0.00316818/step, 1.66417 hours remaining, 240.238281 MB of memory in use. ENERGY: 3109000 4047.7324 20717.1841 14447.5037 243.3857 -203826.1553 2844.6174 0.0000 0.0000 52250.6426 -109275.0895 300.2852 -161525.7321 -108919.1533 299.6531 -85.9211 -60.3053 759862.7627 12.9321 13.0349 PRESSURE: 3109200 -256.88 171.003 202.153 171.002 -205.623 85.4515 202.153 85.4509 81.7132 GPRESSURE: 3109200 -144.709 138.957 193.774 183.421 -182.659 75.1659 315.704 -37.9595 21.1579 PRESSAVG: 3109200 -27.7711 -73.5332 12.7183 -73.5331 24.8333 32.5729 12.7183 32.5728 -16.4461 GPRESSAVG: 3109200 -27.0117 -77.01 12.2524 -71.0066 24.6687 33.7506 15.4482 31.3026 -16.9815 TIMING: 3109200 CPU: 9890.61, 0.0031881/step Wall: 9890.61, 0.0031881/step, 1.67446 hours remaining, 240.238281 MB of memory in use. ENERGY: 3109200 3993.7918 20753.7493 14523.1305 228.8609 -203394.8907 2366.0143 0.0000 0.0000 52096.7164 -109432.6275 299.4005 -161529.3439 -109072.2631 300.1029 -126.9300 -102.0701 760542.8549 -6.4613 -6.4415 PRESSURE: 3109400 18.6645 -68.3812 -131.409 -68.3818 216.5 -60.2252 -131.408 -60.2242 43.8906 GPRESSURE: 3109400 151.887 -4.80821 -75.1143 -95.7177 199.681 -81.4968 -43.5044 -83.1507 26.7327 PRESSAVG: 3109400 62.1422 -29.7629 50.7096 -29.7629 -20.3357 -29.1038 50.7095 -29.1038 6.63547 GPRESSAVG: 3109400 63.9187 -26.1283 51.5517 -31.8361 -21.2362 -30.425 49.8001 -28.619 5.72531 TIMING: 3109400 CPU: 9891.25, 0.00319301/step Wall: 9891.25, 0.00319301/step, 1.67686 hours remaining, 240.238281 MB of memory in use. ENERGY: 3109400 4097.8231 20516.9523 14501.4040 254.6725 -203394.5995 2355.8832 0.0000 0.0000 52237.7768 -109430.0877 300.2112 -161667.8644 -109070.7410 300.1010 93.0185 126.1003 759719.1428 16.1473 16.1359 PRESSURE: 3109600 -28.9333 153.82 -56.5069 153.82 -29.102 -245.131 -56.5072 -245.131 -129.268 GPRESSURE: 3109600 2.14631 47.4053 -102.412 176.833 -46.4301 -301.358 34.6924 -186.079 -80.5343 PRESSAVG: 3109600 41.8381 -20.9163 -31.4624 -20.9163 -20.6101 -4.77031 -31.4624 -4.77032 -15.2248 GPRESSAVG: 3109600 40.0176 -22.4627 -31.3956 -18.8597 -20.271 -4.81754 -33.7417 -3.52844 -14.0447 TIMING: 3109600 CPU: 9891.89, 0.00322388/step Wall: 9891.89, 0.00322388/step, 1.69289 hours remaining, 240.238281 MB of memory in use. ENERGY: 3109600 3865.7288 20642.4458 14547.8198 250.3137 -202786.6194 2020.3605 0.0000 0.0000 51918.1490 -109541.8019 298.3743 -161459.9509 -109185.2907 299.2145 -62.4344 -41.6060 760785.8224 2.0011 1.9006 PRESSURE: 3109800 -101.556 124.424 -332.568 124.423 -67.22 -252.263 -332.568 -252.264 232.171 GPRESSURE: 3109800 -116.19 71.9832 -285.111 3.69374 33.8125 -204.973 -438.237 -184.495 210.659 PRESSAVG: 3109800 13.1485 -28.2493 -38.7973 -28.2493 -4.08411 -2.8702 -38.7972 -2.8702 7.77262 GPRESSAVG: 3109800 13.4358 -27.0984 -39.8925 -31.693 -4.21945 -0.94127 -37.2686 -4.97071 7.43814 TIMING: 3109800 CPU: 9892.54, 0.00322523/step Wall: 9892.54, 0.00322523/step, 1.69343 hours remaining, 240.238281 MB of memory in use. ENERGY: 3109800 3949.8071 20592.1919 14447.5258 250.4036 -203577.8861 2498.4835 0.0000 0.0000 52120.4769 -109718.9973 299.5371 -161839.4742 -109356.3686 299.0862 21.1316 42.7606 760589.1916 5.6124 5.5515 PRESSURE: 3110000 25.175 -91.2434 187.929 -91.2422 285.038 -87.8754 187.93 -87.8752 589.209 GPRESSURE: 3110000 69.639 -39.7173 161.162 -61.3469 365.048 -8.7264 328.986 -56.0901 562.712 PRESSAVG: 3110000 -24.3138 -17.393 -34.9299 -17.3929 36.4916 -44.5066 -34.9299 -44.5065 -23.7444 GPRESSAVG: 3110000 -24.2793 -17.8096 -34.7575 -13.1647 37.2762 -44.8052 -34.1768 -43.6648 -24.643 TIMING: 3110000 CPU: 9893.18, 0.00319695/step Wall: 9893.18, 0.00319695/step, 1.6784 hours remaining, 240.238281 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: 3110000 3933.3623 20305.2089 14461.2794 272.4047 -203358.6132 2637.9484 0.0000 0.0000 51819.4572 -109928.9524 297.8071 -161748.4096 -109560.4409 298.8822 299.8072 332.4665 758408.8527 -3.8555 -3.8820 PRESSURE: 3110200 457.972 245.825 -137.335 245.825 81.5762 -106.951 -137.335 -106.951 -13.286 GPRESSURE: 3110200 492.076 192.105 -175.434 138.721 136.343 -159.17 -147.344 -38.24 -31.2877 PRESSAVG: 3110200 28.4657 -10.7966 15.2337 -10.7967 -27.3805 -31.9731 15.2337 -31.9732 14.3953 GPRESSAVG: 3110200 28.3578 -13.4991 15.6968 -11.8289 -28.1361 -31.8734 15.2629 -31.4448 14.6765 TIMING: 3110200 CPU: 9893.82, 0.00318922/step Wall: 9893.82, 0.00318922/step, 1.67416 hours remaining, 240.238281 MB of memory in use. ENERGY: 3110200 3986.6314 20385.3822 14528.2516 253.0128 -203512.9897 2663.9513 0.0000 0.0000 51888.7847 -109806.9757 298.2056 -161695.7604 -109444.3911 298.3186 175.4208 199.0437 760508.6064 5.1602 4.9660 PRESSURE: 3110400 112.179 -89.6027 -81.9346 -89.6039 -36.7666 8.13137 -81.9346 8.13202 16.5542 GPRESSURE: 3110400 152.627 -154.29 -75.9133 -88.8161 -21.9046 -21.8768 6.36319 -6.20593 38.802 PRESSAVG: 3110400 22.6233 -10.1483 -57.0649 -10.1484 -30.2696 -29.7348 -57.0648 -29.7349 -0.671924 GPRESSAVG: 3110400 22.8385 -8.64605 -57.6323 -8.80497 -29.9538 -30.2822 -57.2615 -30.2476 -1.3547 TIMING: 3110400 CPU: 9894.45, 0.00316732/step Wall: 9894.45, 0.00316732/step, 1.66249 hours remaining, 240.238281 MB of memory in use. ENERGY: 3110400 3956.7719 20306.5789 14583.8530 248.0616 -203745.0357 2718.2517 0.0000 0.0000 52102.2490 -109829.2697 299.4323 -161931.5186 -109459.1986 298.6406 30.6556 56.5082 759391.8610 -2.7727 -2.8233 PRESSURE: 3110600 -241.35 179.465 14.9043 179.465 131.081 -389.059 14.9032 -389.06 -312.898 GPRESSURE: 3110600 -289.213 71.3402 -96.0925 192.212 160.53 -368.002 182.696 -305.097 -204.208 PRESSAVG: 3110600 -37.5308 -10.2332 -61.5616 -10.2331 12.2138 -32.1981 -61.5616 -32.1981 1.49803 GPRESSAVG: 3110600 -38.8119 -8.55032 -60.6095 -12.4549 11.8954 -31.3464 -61.7307 -30.9598 2.29045 TIMING: 3110600 CPU: 9895.08, 0.00316065/step Wall: 9895.08, 0.00316065/step, 1.65881 hours remaining, 240.238281 MB of memory in use. ENERGY: 3110600 3950.1812 20454.1894 14544.3277 228.9233 -203365.4390 2458.6868 0.0000 0.0000 51865.4197 -109863.7110 298.0713 -161729.1307 -109505.0081 298.8457 -141.0556 -110.9636 760421.0916 -7.9397 -8.2087 PRESSURE: 3110800 -158.651 -102.674 -71.7467 -102.674 -250.388 -81.608 -71.7457 -81.6076 199.005 GPRESSURE: 3110800 -199.039 101.469 -143.439 -93.9717 -76.4846 -8.07838 -42.3776 -124.238 173.301 PRESSAVG: 3110800 -14.8494 -22.0081 -68.737 -22.0081 18.7135 -63.2821 -68.7369 -63.2821 2.61281 GPRESSAVG: 3110800 -13.7283 -23.6674 -69.0206 -21.2695 19.0358 -63.2207 -68.9707 -63.9502 1.65985 TIMING: 3110800 CPU: 9895.72, 0.00319577/step Wall: 9895.72, 0.00319577/step, 1.67707 hours remaining, 240.238281 MB of memory in use. ENERGY: 3110800 3944.5449 20509.7710 14447.0070 254.9976 -203874.6712 2791.5003 0.0000 0.0000 52034.0695 -109892.7808 299.0405 -161926.8504 -109531.5338 298.3884 -70.0114 -34.0742 759658.5827 2.1590 2.3225 PRESSURE: 3111000 112.498 -34.8844 79.9697 -34.8842 446.234 36.5817 79.9694 36.5819 -126.976 GPRESSURE: 3111000 146.954 -58.3765 124.819 1.71973 450.538 38.9599 104.068 59.936 -68.2992 PRESSAVG: 3111000 -8.15239 -11.8261 -53.6717 -11.8261 0.928181 -3.51491 -53.6718 -3.51482 -4.32138 GPRESSAVG: 3111000 -8.28301 -10.7816 -53.3377 -12.6284 0.457828 -3.6423 -53.6687 -3.68534 -3.03724 TIMING: 3111000 CPU: 9896.36, 0.00317261/step Wall: 9896.36, 0.00317261/step, 1.66474 hours remaining, 240.238281 MB of memory in use. ENERGY: 3111000 3851.7196 20559.1551 14492.8261 257.8105 -203498.0983 2517.2996 0.0000 0.0000 51967.6011 -109851.6863 298.6585 -161819.2874 -109487.7249 298.7514 143.9184 176.3976 759920.4909 -3.8485 -3.6208 PRESSURE: 3111200 91.7492 -190.34 179.439 -190.34 -100.864 163.271 179.439 163.27 -444.42 GPRESSURE: 3111200 81.7719 -178.731 237.058 -224.116 -139.638 229.548 100.537 47.7653 -341.421 PRESSAVG: 3111200 11.3946 5.40943 -12.3 5.40944 39.2091 4.69805 -12.3 4.69814 -8.74981 GPRESSAVG: 3111200 11.6694 6.99767 -11.3612 4.2584 39.7665 4.60931 -14.5008 4.07726 -9.0175 TIMING: 3111200 CPU: 9896.99, 0.00315765/step Wall: 9896.99, 0.00315765/step, 1.65671 hours remaining, 240.238281 MB of memory in use. ENERGY: 3111200 3992.4636 20548.0592 14466.1203 251.3020 -203441.1438 2583.0741 0.0000 0.0000 51827.1201 -109773.0044 297.8512 -161600.1245 -109416.0305 298.1266 -151.1785 -133.0957 759918.2324 13.9513 14.1395 PRESSURE: 3111400 -208.191 72.1629 -106.421 72.1617 4.67918 53.2844 -106.421 53.283 128.181 GPRESSURE: 3111400 -177.4 127.313 -159.184 -2.43647 -2.29809 93.6323 -87.2321 -25.3396 178.366 PRESSAVG: 3111400 7.17912 -21.6845 -0.612209 -21.6845 -2.89964 -3.42876 -0.612184 -3.42879 11.9002 GPRESSAVG: 3111400 6.31041 -23.4862 -0.438786 -20.0434 -1.61299 -2.94197 1.27161 -3.32367 11.6855 TIMING: 3111400 CPU: 9897.62, 0.00317543/step Wall: 9897.62, 0.00317543/step, 1.66587 hours remaining, 240.238281 MB of memory in use. ENERGY: 3111400 3986.8581 20464.6979 14426.5483 241.2148 -203778.4245 2731.2787 0.0000 0.0000 52282.7532 -109645.0735 300.4697 -161927.8267 -109267.7662 298.9968 -25.1104 -0.4440 759907.7877 5.3932 5.4610 PRESSURE: 3111600 -145.26 9.69113 -58.1592 9.69076 -43.4683 12.4728 -58.1588 12.4727 -359.139 GPRESSURE: 3111600 -24.2541 133.35 30.1962 130.406 -105.094 20.5997 -44.6437 98.3327 -334.368 PRESSAVG: 3111600 -25.3257 5.01775 -58.1455 5.01773 7.38038 13.5581 -58.1455 13.558 -4.16112 GPRESSAVG: 3111600 -24.6119 3.05369 -59.1999 5.48118 7.02261 12.2854 -58.9649 13.4311 -4.1248 TIMING: 3111600 CPU: 9898.26, 0.00320296/step Wall: 9898.26, 0.00320296/step, 1.68013 hours remaining, 240.238281 MB of memory in use. ENERGY: 3111600 4060.3512 20387.2510 14483.3803 242.9353 -203463.3695 2509.9288 0.0000 0.0000 52138.7148 -109640.8081 299.6419 -161779.5229 -109265.1833 299.1761 -182.6223 -154.5719 761946.4921 -7.3688 -7.2380 PRESSURE: 3111800 -380.793 -1.07135 290.051 -1.0715 -77.6252 45.9844 290.051 45.9842 -366.96 GPRESSURE: 3111800 -415.574 149.356 255.61 69.5902 -101.077 10.9415 219.967 201.085 -227.315 PRESSAVG: 3111800 4.80708 -39.2965 -21.6771 -39.2965 -10.6132 -15.6604 -21.6771 -15.6604 14.9957 GPRESSAVG: 3111800 4.4485 -38.2316 -22.9018 -37.1114 -10.4608 -15.3374 -22.0508 -14.7127 15.499 TIMING: 3111800 CPU: 9898.91, 0.00321581/step Wall: 9898.91, 0.00321581/step, 1.68669 hours remaining, 240.238281 MB of memory in use. ENERGY: 3111800 4042.8914 20585.2247 14559.3384 250.9207 -203673.4563 2580.0454 0.0000 0.0000 51869.2772 -109785.7585 298.0934 -161655.0357 -109423.9509 298.6994 -275.1263 -247.9884 761045.1963 3.0632 3.1622 PRESSURE: 3112000 78.9479 71.0998 -115.479 71.1 -231.766 132.698 -115.478 132.698 -161.755 GPRESSURE: 3112000 80.5685 14.003 -174.754 17.2508 -213.925 107.87 -74.4336 159.34 -92.8532 PRESSAVG: 3112000 -24.1065 23.6142 -60.2169 23.6142 9.54951 48.177 -60.2169 48.177 25.4015 GPRESSAVG: 3112000 -23.3789 23.3795 -59.1987 22.1827 9.42092 47.5019 -58.239 48.5597 24.9719 TIMING: 3112000 CPU: 9899.56, 0.0032426/step Wall: 9899.56, 0.0032426/step, 1.70056 hours remaining, 240.238281 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: 3112000 3963.5462 20620.2900 14528.0576 250.4855 -203491.7722 2566.7039 0.0000 0.0000 51984.4616 -109578.2274 298.7554 -161562.6890 -109217.3459 298.5955 -104.8579 -75.4034 760147.1210 3.6148 3.6713 PRESSURE: 3112200 61.9196 134.548 17.9424 134.548 253.841 68.445 17.9412 68.4451 148.422 GPRESSURE: 3112200 172.866 61.5692 59.8179 78.4351 256.186 90.3869 -45.1374 87.7639 109.887 PRESSAVG: 3112200 13.1571 -13.7558 11.1006 -13.7558 -14.7418 10.9709 11.1006 10.9709 -7.04687 GPRESSAVG: 3112200 13.1372 -13.5139 10.4939 -15.469 -14.5403 11.4522 13.1188 8.5243 -6.9335 TIMING: 3112200 CPU: 9900.2, 0.00320624/step Wall: 9900.2, 0.00320624/step, 1.68131 hours remaining, 240.238281 MB of memory in use. ENERGY: 3112200 3930.4449 20452.3504 14597.8954 251.3679 -203252.5250 2546.9423 0.0000 0.0000 51989.6990 -109483.8252 298.7855 -161473.5241 -109118.0850 298.9364 154.7276 179.6464 762201.0764 -2.8772 -2.7789 LDB: ============= START OF LOAD BALANCING ============== 9912.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9912.65 LDB: =============== DONE WITH MIGRATION ================ 9912.66 LDB: ============= START OF LOAD BALANCING ============== 9912.98 LDB: Largest compute 7034 load 0.036797 is 18.8% of average load 0.195329 LDB: Average compute 0.004414 is 2.3% of average load 0.195329 LDB: TIME 9912.98 LOAD: AVG 0.195329 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 9912.98 LOAD: AVG 0.195329 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 9912.98 LOAD: AVG 0.195329 MAX 0.214615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 9912.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9912.99 PRESSURE: 3112400 284.333 -1.97215 54.95 -1.97269 -626.484 -4.33254 54.9486 -4.33252 144.656 GPRESSURE: 3112400 336.458 145.264 56.7676 54.1726 -451.932 -21.7629 101.986 49.133 9.30441 PRESSAVG: 3112400 19.69 48.6973 27.2873 48.6973 -68.8403 13.8832 27.2874 13.8832 14.7582 GPRESSAVG: 3112400 19.7503 49.2116 27.2001 50.6017 -69.0062 12.9396 26.1153 15.4468 15.2669 TIMING: 3112400 CPU: 9900.85, 0.00328385/step Wall: 9900.85, 0.00328385/step, 1.72183 hours remaining, 241.320312 MB of memory in use. ENERGY: 3112400 3967.4962 20422.4158 14414.4680 247.5073 -203487.8166 2627.9459 0.0000 0.0000 52175.6339 -109632.3496 299.8541 -161807.9834 -109277.7065 299.2737 -65.8319 -35.3898 762031.1650 -11.4640 -11.3297 PRESSURE: 3112600 -41.139 11.6052 17.5391 11.6058 66.1323 -176.016 17.5393 -176.014 39.856 GPRESSURE: 3112600 60.5262 17.7513 45.4172 -40.9134 89.2387 -72.4131 -64.0843 -204.206 -0.721039 PRESSAVG: 3112600 57.8617 25.5553 -3.24946 25.5553 -25.2683 -33.4045 -3.24942 -33.4045 -15.5934 GPRESSAVG: 3112600 58.4656 25.128 -1.59089 22.9846 -25.4719 -32.2214 -3.77932 -34.4724 -15.9881 TIMING: 3112600 CPU: 9901.5, 0.00321387/step Wall: 9901.5, 0.00321387/step, 1.68496 hours remaining, 241.320312 MB of memory in use. ENERGY: 3112600 3980.2645 20580.2367 14487.5799 227.4124 -203134.9629 2481.4500 0.0000 0.0000 51959.8065 -109418.2128 298.6137 -161378.0194 -109064.9530 299.0994 21.6164 49.6813 760145.5211 5.6667 5.6685 PRESSURE: 3112800 215.003 -62.3175 -11.9753 -62.3178 -21.7578 168.322 -11.9758 168.323 109.169 GPRESSURE: 3112800 194.179 12.4796 -29.7891 -90.7566 -0.385985 225.868 -62.0564 52.2861 207.19 PRESSAVG: 3112800 34.5507 9.18205 -8.60092 9.18204 41.0048 -26.5881 -8.601 -26.5881 5.88293 GPRESSAVG: 3112800 35.4233 9.6631 -9.08692 8.91425 39.3142 -27.3189 -7.59579 -25.9369 6.71163 TIMING: 3112800 CPU: 9902.14, 0.00322819/step Wall: 9902.14, 0.00322819/step, 1.69229 hours remaining, 241.320312 MB of memory in use. ENERGY: 3112800 3899.1684 20642.3933 14517.7698 253.5669 -203166.4481 2468.1081 0.0000 0.0000 52120.3636 -109265.0781 299.5364 -161385.4417 -108907.2289 299.6998 100.8045 133.6610 761266.9223 27.1462 27.1497 PRESSURE: 3113000 -311.941 -58.4944 90.2699 -58.4942 -75.8527 148.557 90.2705 148.557 -318.648 GPRESSURE: 3113000 -210.119 -26.8805 123.475 -89.722 -111.094 225.866 24.2335 89.9142 -288.593 PRESSAVG: 3113000 9.69067 16.1132 26.7099 16.1132 18.9231 12.7214 26.7099 12.7214 -3.04832 GPRESSAVG: 3113000 8.35177 16.6749 25.343 16.6611 20.766 13.2138 26.9374 13.8219 -3.0832 TIMING: 3113000 CPU: 9902.79, 0.00322078/step Wall: 9902.79, 0.00322078/step, 1.68822 hours remaining, 241.320312 MB of memory in use. ENERGY: 3113000 3994.0409 20401.1460 14450.7246 246.8760 -203010.2803 2346.9106 0.0000 0.0000 52097.1306 -109473.4517 299.4029 -161570.5823 -109124.7968 299.4770 -235.4807 -203.2687 762547.5329 8.5218 8.6782 PRESSURE: 3113200 -35.1823 -34.0134 -7.08109 -34.0135 -127.756 67.3406 -7.08136 67.3391 26.4307 GPRESSURE: 3113200 17.5331 -44.0744 -9.75815 -9.53784 -122.448 80.0464 -38.9567 56.8492 47.3746 PRESSAVG: 3113200 -27.9567 17.1234 -43.4016 17.1234 25.1555 -11.6775 -43.4016 -11.6775 -5.56804 GPRESSAVG: 3113200 -27.2749 15.3877 -40.4768 17.7986 24.3434 -12.2341 -48.7799 -16.3361 -5.57073 TIMING: 3113200 CPU: 9903.42, 0.00315312/step Wall: 9903.42, 0.00315312/step, 1.65259 hours remaining, 241.320312 MB of memory in use. ENERGY: 3113200 4005.9252 20495.4811 14459.2662 254.3409 -203223.3438 2383.7504 0.0000 0.0000 52043.6690 -109580.9110 299.0957 -161624.5800 -109219.5287 298.5708 -45.5026 -19.1802 762101.9603 -2.7897 -2.8341 PRESSURE: 3113400 40.5832 38.1604 117.973 38.1602 149.777 -183.437 117.973 -183.437 41.3969 GPRESSURE: 3113400 131.604 43.7248 86.0065 92.0128 77.2508 -279.499 149.334 -141.903 99.014 PRESSAVG: 3113400 -20.9689 -37.2489 -32.5669 -37.2489 34.8107 50.8025 -32.5669 50.8025 4.78572 GPRESSAVG: 3113400 -20.64 -36.2314 -34.0353 -37.5976 34.1968 50.012 -30.4174 55.9319 4.79772 TIMING: 3113400 CPU: 9904.06, 0.00319624/step Wall: 9904.06, 0.00319624/step, 1.67501 hours remaining, 241.320312 MB of memory in use. ENERGY: 3113400 4022.4991 20609.4931 14483.0590 255.0572 -203708.3059 2704.0491 0.0000 0.0000 52145.6942 -109488.4542 299.6820 -161634.1484 -109138.8933 299.1380 77.2524 102.6230 760405.9773 6.2092 6.1182 PRESSURE: 3113600 -261.175 -242.685 170.912 -242.684 95.8387 141.808 170.912 141.808 -162.107 GPRESSURE: 3113600 -194.238 -194.197 201.894 -192.165 60.7659 125.973 119.53 153.637 -111.677 PRESSAVG: 3113600 16.7488 -11.4757 -41.4942 -11.4758 12.8441 3.83284 -41.4942 3.83289 3.42659 GPRESSAVG: 3113600 16.1035 -13.21 -42.2048 -9.71612 13.6763 4.14514 -40.7001 4.32202 3.16715 TIMING: 3113600 CPU: 9904.7, 0.00320528/step Wall: 9904.7, 0.00320528/step, 1.67957 hours remaining, 241.320312 MB of memory in use. ENERGY: 3113600 3982.9926 20480.6407 14448.2229 252.0636 -203183.8225 2469.8876 0.0000 0.0000 52042.6194 -109507.3958 299.0896 -161550.0151 -109151.4421 299.7134 -109.1480 -81.7165 760130.2810 11.0065 10.9823 PRESSURE: 3113800 74.8723 130.707 -172.981 130.706 141.684 117.893 -172.982 117.893 -79.9353 GPRESSURE: 3113800 110.74 -25.1023 -224.27 105.213 150.284 99.2317 -64.2641 -28.6633 -37.6294 PRESSAVG: 3113800 -60.9419 -29.6245 49.9717 -29.6244 61.2485 5.41109 49.9716 5.41111 -11.8638 GPRESSAVG: 3113800 -59.4774 -28.7716 50.3425 -34.0974 59.399 6.17171 51.1039 4.12442 -11.4221 TIMING: 3113800 CPU: 9905.33, 0.00317965/step Wall: 9905.33, 0.00317965/step, 1.66596 hours remaining, 241.320312 MB of memory in use. ENERGY: 3113800 4008.6344 20396.6274 14473.9121 238.3100 -203666.3198 2657.9658 0.0000 0.0000 52134.3997 -109756.4704 299.6171 -161890.8701 -109387.9287 298.8256 45.5403 74.4646 759332.5791 -3.8524 -3.8335 PRESSURE: 3114000 -72.5135 177.729 -11.1435 177.729 -23.2897 -24.9014 -11.1439 -24.9012 135.499 GPRESSURE: 3114000 88.2631 208.27 26.9249 17.348 -62.0839 12.3666 -69.878 30.3136 125.105 PRESSAVG: 3114000 11.7715 20.8345 -4.54491 20.8345 -33.0474 15.4017 -4.54494 15.4018 -2.99731 GPRESSAVG: 3114000 10.6176 21.5478 -6.3545 22.8728 -31.0826 14.7445 -3.94271 14.1063 -3.56598 TIMING: 3114000 CPU: 9905.98, 0.0032138/step Wall: 9905.98, 0.0032138/step, 1.68367 hours remaining, 241.320312 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: 3114000 3916.6403 20444.7575 14461.4500 257.8322 -203403.9681 2633.9947 0.0000 0.0000 52015.6805 -109673.6131 298.9348 -161689.2935 -109310.2433 298.9708 13.2319 50.4282 761874.5278 -8.0911 -8.0103 PRESSURE: 3114200 -418.916 -139.091 -170.744 -139.09 -383.185 4.86836 -170.744 4.86941 -265.565 GPRESSURE: 3114200 -380.387 -91.7582 -151.174 -8.75763 -292.825 -5.07876 -114.08 -56.7331 -280.388 PRESSAVG: 3114200 -56.9636 16.1447 0.377992 16.1447 32.4511 21.708 0.377949 21.708 9.1703 GPRESSAVG: 3114200 -56.9378 15.9184 1.56277 17.865 32.3634 22.0904 -0.0864957 20.4243 9.23576 TIMING: 3114200 CPU: 9906.62, 0.0032022/step Wall: 9906.62, 0.0032022/step, 1.67742 hours remaining, 241.320312 MB of memory in use. ENERGY: 3114200 4028.8719 20452.0624 14442.7466 249.4011 -202899.3988 2164.0153 0.0000 0.0000 51923.7631 -109638.5383 298.4066 -161562.3014 -109276.9417 299.0091 -355.8890 -317.8670 760856.0296 -5.1141 -5.1129 PRESSURE: 3114400 113.526 1.3179 24.1954 1.31721 -363.981 169.96 24.195 169.96 -413.577 GPRESSURE: 3114400 128.649 -66.3811 30.2829 115.881 -280.338 87.6324 -11.5623 76.09 -401.63 PRESSAVG: 3114400 46.0971 -5.99253 20.3431 -5.99255 -2.04342 15.3604 20.3431 15.3604 -18.423 GPRESSAVG: 3114400 45.9321 -5.5846 19.356 -6.58318 -2.42962 16.3877 20.5484 17.5443 -18.0411 TIMING: 3114400 CPU: 9907.25, 0.00317086/step Wall: 9907.25, 0.00317086/step, 1.66083 hours remaining, 241.320312 MB of memory in use. ENERGY: 3114400 3947.1598 20554.5686 14516.2066 236.1349 -203181.3307 2376.3754 0.0000 0.0000 51983.7708 -109567.1147 298.7514 -161550.8855 -109214.7852 299.1066 -221.3439 -184.4397 759298.3972 8.5436 8.4871 PRESSURE: 3114600 175.207 146.921 0.673451 146.921 379.748 -196.927 0.673329 -196.928 -51.4351 GPRESSURE: 3114600 194.397 -54.1593 -47.4517 201.135 445.566 -105.001 110.442 -194.628 -47.1319 PRESSAVG: 3114600 41.1081 -26.3217 55.8477 -26.3217 -49.3218 52.2578 55.8478 52.2577 -5.85835 GPRESSAVG: 3114600 41.5789 -27.1453 56.2038 -25.2298 -49.7503 52.1279 56.9659 50.224 -6.71139 TIMING: 3114600 CPU: 9907.89, 0.00320922/step Wall: 9907.89, 0.00320922/step, 1.68074 hours remaining, 241.320312 MB of memory in use. ENERGY: 3114600 3938.6981 20583.5465 14517.2583 272.3607 -203358.4914 2594.6574 0.0000 0.0000 51886.9472 -109565.0232 298.1950 -161451.9704 -109204.0869 299.2721 167.8400 197.6104 760943.4605 -4.6907 -4.9609 PRESSURE: 3114800 -76.496 1.12381 64.9024 1.12379 371.809 -126.279 64.9029 -126.28 456.44 GPRESSURE: 3114800 47.3296 83.6025 -24.5936 4.34435 304.806 -142.681 -83.9605 -154.183 500.977 PRESSAVG: 3114800 12.0681 -36.2467 3.56185 -36.2468 14.646 -28.9332 3.56185 -28.9332 5.2508 GPRESSAVG: 3114800 11.6823 -36.607 3.79995 -36.159 15.558 -29.9446 0.835435 -25.8604 4.97266 TIMING: 3114800 CPU: 9908.54, 0.00322707/step Wall: 9908.54, 0.00322707/step, 1.68991 hours remaining, 241.320312 MB of memory in use. ENERGY: 3114800 4003.2751 20625.2984 14502.9573 250.1853 -203412.1349 2603.6239 0.0000 0.0000 51833.1756 -109593.6194 297.8860 -161426.7950 -109238.6172 299.0407 250.5844 284.3708 760394.3683 10.6549 10.7377 PRESSURE: 3115000 280.527 -53.5581 19.3093 -53.5572 38.4523 55.2714 19.309 55.2725 159.087 GPRESSURE: 3115000 299.411 -112.171 30.1653 -19.6173 72.6451 113.427 -19.0825 57.4258 196.055 PRESSAVG: 3115000 -6.12171 12.0194 -12.5645 12.0194 19.5224 -53.567 -12.5645 -53.5669 12.9799 GPRESSAVG: 3115000 -4.92136 13.1855 -10.4044 9.84513 18.2403 -54.1782 -11.7791 -55.1984 12.786 TIMING: 3115000 CPU: 9909.17, 0.00317618/step Wall: 9909.17, 0.00317618/step, 1.66308 hours remaining, 241.320312 MB of memory in use. ENERGY: 3115000 3970.8778 20535.1759 14513.4827 236.6470 -203430.1650 2672.1585 0.0000 0.0000 51776.6838 -109725.1393 297.5613 -161501.8231 -109364.7224 298.8722 159.3555 189.3706 760804.1642 8.7936 8.7016 PRESSURE: 3115200 484.258 103.257 -84.1145 103.257 -87.9598 31.9353 -84.1158 31.9361 369.606 GPRESSURE: 3115200 583.425 132.594 -110.332 98.9997 16.7612 26.0935 -109.709 129.58 282.827 PRESSAVG: 3115200 58.397 -0.843075 8.70913 -0.843074 -54.2565 -28.5404 8.70924 -28.5404 7.5049 GPRESSAVG: 3115200 58.0591 -1.24031 6.37317 -0.986938 -54.5932 -27.9284 9.68312 -29.1339 8.68392 TIMING: 3115200 CPU: 9909.81, 0.00319704/step Wall: 9909.81, 0.00319704/step, 1.67383 hours remaining, 241.320312 MB of memory in use. ENERGY: 3115200 3907.3848 20561.1135 14333.5484 247.6228 -203262.4411 2667.7597 0.0000 0.0000 51915.5975 -109629.4143 298.3597 -161545.0118 -109280.2751 298.9812 255.3017 294.3375 759843.4867 3.8818 4.0499 PRESSURE: 3115400 -92.3885 107.908 121.653 107.907 255.104 239.578 121.652 239.579 -84.0926 GPRESSURE: 3115400 -29.4094 -47.4512 155.821 33.4061 254.624 162.989 4.93875 297.413 -55.443 PRESSAVG: 3115400 -14.3074 14.0626 17.2809 14.0626 -10.1751 -10.2215 17.2808 -10.2215 -10.0839 GPRESSAVG: 3115400 -13.6476 12.2532 17.0981 13.7087 -9.13659 -10.8416 17.6152 -8.95263 -11.3283 TIMING: 3115400 CPU: 9910.46, 0.00323939/step Wall: 9910.46, 0.00323939/step, 1.69582 hours remaining, 241.320312 MB of memory in use. ENERGY: 3115400 3925.2641 20503.1505 14468.9828 245.3475 -203414.7082 2488.7441 0.0000 0.0000 51967.2738 -109815.9453 298.6566 -161783.2191 -109455.6272 298.4337 26.2075 56.5906 759027.5836 -11.5222 -11.3708 PRESSURE: 3115600 -94.5754 24.2761 15.1374 24.2764 5.32009 -100.65 15.1372 -100.65 -131.746 GPRESSURE: 3115600 -26.5774 33.487 -28.6097 51.9444 1.17258 -84.0949 132.634 -146.714 -97.6605 PRESSAVG: 3115600 44.3924 84.4915 28.0335 84.4915 9.17892 -7.48432 28.0336 -7.48428 -11.38 GPRESSAVG: 3115600 44.7633 87.3132 28.1973 85.9716 7.73141 -6.90999 27.4894 -8.89926 -10.6086 TIMING: 3115600 CPU: 9911.1, 0.00320151/step Wall: 9911.1, 0.00320151/step, 1.67581 hours remaining, 241.320312 MB of memory in use. ENERGY: 3115600 3948.7124 20456.4935 14462.3159 246.7262 -203411.3805 2585.5685 0.0000 0.0000 52037.7091 -109673.8550 299.0614 -161711.5641 -109316.6683 298.1067 -73.6671 -41.0218 759006.0884 14.0638 13.9620 PRESSURE: 3115800 -449.828 133.74 1.19625 133.74 -313.001 0.875525 1.19594 0.876212 137.784 GPRESSURE: 3115800 -386.47 175.768 -35.3822 98.2394 -331.434 40.3027 176.415 -4.92274 180.832 PRESSAVG: 3115800 48.719 71.3493 22.4636 71.3493 -24.8025 -3.12556 22.4636 -3.12562 -21.7597 GPRESSAVG: 3115800 49.026 69.9006 21.2687 72.482 -24.5039 -4.96623 23.4614 -1.06273 -22.235 TIMING: 3115800 CPU: 9911.74, 0.00317893/step Wall: 9911.74, 0.00317892/step, 1.66381 hours remaining, 241.320312 MB of memory in use. ENERGY: 3115800 3973.6006 20455.7675 14519.8546 230.3334 -203605.8469 2688.1261 0.0000 0.0000 52245.4358 -109492.7287 300.2552 -161738.1645 -109136.7997 299.0091 -208.3483 -179.0239 761229.8445 0.7189 0.7624 PRESSURE: 3116000 -190.15 -235.785 161.931 -235.784 147.437 30.7243 161.932 30.7246 71.0789 GPRESSURE: 3116000 -95.7514 -103.924 168.847 -135.936 174.481 105.633 101.76 124.638 42.7163 PRESSAVG: 3116000 67.9601 79.9366 29.1591 79.9367 -45.7988 -16.5404 29.1591 -16.5405 21.4216 GPRESSAVG: 3116000 66.2334 79.8242 30.0284 77.5999 -43.9558 -15.0512 27.338 -16.6158 21.5599 TIMING: 3116000 CPU: 9912.38, 0.00319547/step Wall: 9912.38, 0.00319547/step, 1.6723 hours remaining, 241.320312 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: 3116000 3899.2014 20607.9505 14431.6670 258.0423 -203752.5696 2773.5181 0.0000 0.0000 52358.1577 -109424.0328 300.9031 -161782.1905 -109062.6738 299.7798 9.4552 40.4819 760825.4967 14.5276 14.6125 PRESSURE: 3116200 -233.977 -91.3427 88.8145 -91.3426 258.078 30.995 88.8157 30.9948 -368.622 GPRESSURE: 3116200 -164.611 -155.034 51.8745 -120.555 222.565 12.9183 28.9478 -79.9162 -317.399 PRESSAVG: 3116200 12.2838 3.51839 15.111 3.51843 -35.6288 -12.9642 15.111 -12.9641 9.72211 GPRESSAVG: 3116200 12.771 4.398 16.738 3.8094 -36.4748 -14.4006 14.8521 -12.7283 10.0061 TIMING: 3116200 CPU: 9913.03, 0.00325931/step Wall: 9913.03, 0.00325931/step, 1.70552 hours remaining, 241.320312 MB of memory in use. ENERGY: 3116200 4030.0017 20600.6877 14550.3095 245.4808 -203692.3412 2691.0609 0.0000 0.0000 52028.9915 -109545.8092 299.0113 -161574.8006 -109190.8175 299.3846 -114.8404 -86.4814 762523.9928 -4.5410 -4.5659 LDB: ============= START OF LOAD BALANCING ============== 9925.49 LDB: ============== END OF LOAD BALANCING =============== 9925.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9925.49 LDB: ============= START OF LOAD BALANCING ============== 9925.81 LDB: Largest compute 7070 load 0.038754 is 19.8% of average load 0.195344 LDB: Average compute 0.004407 is 2.3% of average load 0.195344 LDB: TIME 9925.81 LOAD: AVG 0.195344 MAX 0.213352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 9925.81 LOAD: AVG 0.195344 MAX 0.213352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 9925.81 LOAD: AVG 0.195344 MAX 0.213352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 9925.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9925.82 PRESSURE: 3116400 355.491 163.564 29.6279 163.564 393.518 49.0397 29.6273 49.0392 283.198 GPRESSURE: 3116400 351.635 191.375 10.5126 175.242 394.47 7.44712 89.0593 61.5189 376.216 PRESSAVG: 3116400 -16.8536 -36.5504 -23.4011 -36.5504 6.93445 -23.011 -23.4011 -23.011 1.0463 GPRESSAVG: 3116400 -15.8302 -36.1304 -26.3313 -36.6398 6.56834 -23.4058 -20.9879 -23.3012 0.69058 TIMING: 3116400 CPU: 9913.68, 0.00327923/step Wall: 9913.68, 0.00327923/step, 1.71577 hours remaining, 240.296875 MB of memory in use. ENERGY: 3116400 3890.6397 20539.6755 14482.9691 251.0950 -203987.0217 3023.2311 0.0000 0.0000 52229.4329 -109569.9784 300.1633 -161799.4113 -109206.6613 299.3727 344.0693 374.1070 759885.9726 -2.9576 -2.8571 PRESSURE: 3116600 133.656 -56.7342 10.262 -56.735 -100.151 -230.437 10.2615 -230.436 41.1356 GPRESSURE: 3116600 86.2243 -61.27 17.3483 30.0956 45.1521 -188.073 -97.0525 -194.882 26.9649 PRESSAVG: 3116600 -0.246979 -1.652 41.7738 -1.65199 8.2048 -2.95451 41.7738 -2.95444 17.448 GPRESSAVG: 3116600 -0.988268 -2.1557 43.4867 -0.971079 8.02061 -1.67059 39.0486 -2.43787 18.6606 TIMING: 3116600 CPU: 9914.33, 0.0032354/step Wall: 9914.33, 0.0032354/step, 1.69265 hours remaining, 240.296875 MB of memory in use. ENERGY: 3116600 3981.4436 20683.1159 14491.6409 237.0271 -203939.8240 2754.9446 0.0000 0.0000 52245.2175 -109546.4344 300.2540 -161791.6519 -109194.3600 299.3761 24.8802 52.7804 762257.3634 8.4686 8.5643 PRESSURE: 3116800 -1.31109 68.2506 208.447 68.2508 -199.312 -22.4358 208.447 -22.4358 -343.135 GPRESSURE: 3116800 145.691 -71.1844 56.101 48.3431 -149.066 -86.8945 155.424 0.829317 -452.792 PRESSAVG: 3116800 34.7426 20.9656 38.4714 20.9655 -35.6519 -3.5307 38.4714 -3.5307 1.22333 GPRESSAVG: 3116800 35.3023 18.9713 36.7274 23.9903 -34.4756 -1.81944 39.168 -2.87929 -0.429851 TIMING: 3116800 CPU: 9914.97, 0.003184/step Wall: 9914.97, 0.003184/step, 1.66558 hours remaining, 240.296875 MB of memory in use. ENERGY: 3116800 4016.1837 20472.0792 14477.7397 247.9740 -203101.2525 2334.5814 0.0000 0.0000 51889.5044 -109663.1900 298.2097 -161552.6944 -109292.8783 298.9582 -181.2526 -152.0558 762872.4864 0.1046 0.1323 PRESSURE: 3117000 64.4859 134.881 -189.81 134.88 267.538 42.2221 -189.81 42.2229 148.357 GPRESSURE: 3117000 192.475 153.743 -77.2868 20.6927 168.621 109.374 -174.331 -120.158 187.801 PRESSAVG: 3117000 37.92 42.8381 16.8732 42.8381 -45.1621 -68.2162 16.8733 -68.2162 -43.8226 GPRESSAVG: 3117000 37.1486 45.4248 17.9675 40.736 -45.9019 -70.0112 17.8907 -70.4108 -42.3133 TIMING: 3117000 CPU: 9915.6, 0.00316853/step Wall: 9915.6, 0.00316853/step, 1.65732 hours remaining, 240.296875 MB of memory in use. ENERGY: 3117000 4001.5066 20386.5019 14499.3028 257.5187 -203675.7809 2696.7443 0.0000 0.0000 52197.7434 -109636.4632 299.9811 -161834.2067 -109266.5430 299.3092 160.1269 182.9656 760870.2612 -17.0216 -17.0222 PRESSURE: 3117200 369.12 102.976 145.377 102.977 -242.257 144.368 145.377 144.368 -207.474 GPRESSURE: 3117200 270.396 60.1018 93.0901 145.647 -115.516 106.044 21.3454 67.8554 -145.602 PRESSAVG: 3117200 -2.10392 39.797 21.8845 39.797 22.3691 -42.8 21.8845 -42.8 27.1766 GPRESSAVG: 3117200 -1.72278 39.7785 21.3677 39.5495 20.7393 -41.2643 21.097 -43.3921 28.2886 TIMING: 3117200 CPU: 9916.24, 0.00319088/step Wall: 9916.24, 0.00319088/step, 1.66883 hours remaining, 240.296875 MB of memory in use. ENERGY: 3117200 3991.6673 20583.5043 14490.4942 239.4314 -203601.5512 2557.0802 0.0000 0.0000 52072.1862 -109667.1876 299.2596 -161739.3738 -109309.8991 299.5416 -26.8702 3.0927 760029.6839 15.8139 15.7684 PRESSURE: 3117400 -3.51058 -183.88 -16.9103 -183.88 -1.77344 -116.894 -16.9106 -116.894 33.5263 GPRESSURE: 3117400 13.2228 -197.044 42.6746 -156.602 -64.5636 -94.164 30.2773 -100.873 161.113 PRESSAVG: 3117400 7.64992 37.6848 69.1064 37.6848 -56.4278 -33.8908 69.1063 -33.8909 -8.11258 GPRESSAVG: 3117400 8.07686 36.9937 70.3381 37.4781 -55.7817 -34.3437 70.774 -32.9554 -9.04356 TIMING: 3117400 CPU: 9916.88, 0.00318829/step Wall: 9916.88, 0.00318829/step, 1.6673 hours remaining, 240.296875 MB of memory in use. ENERGY: 3117400 3965.7378 20681.4895 14523.8900 250.1624 -203410.1478 2357.6919 0.0000 0.0000 51860.0865 -109771.0897 298.0406 -161631.1762 -109405.0767 299.0988 9.4141 36.5907 760721.4423 -18.9635 -18.9161 PRESSURE: 3117600 -167.4 111.499 105.039 111.499 -94.2743 -146.699 105.039 -146.699 120.806 GPRESSURE: 3117600 -93.7959 160.368 24.2459 81.0238 -99.3595 -94.5291 50.2733 -150.89 125.945 PRESSAVG: 3117600 26.0895 25.3727 -60.6989 25.3727 13.7453 -66.1765 -60.6989 -66.1766 16.0646 GPRESSAVG: 3117600 26.1151 25.1097 -62.0651 25.8 13.9423 -65.9677 -62.2853 -67.6299 15.7826 TIMING: 3117600 CPU: 9917.51, 0.00318929/step Wall: 9917.51, 0.00318929/step, 1.66764 hours remaining, 240.296875 MB of memory in use. ENERGY: 3117600 3997.4435 20598.3356 14532.0430 250.3999 -203580.9441 2543.2510 0.0000 0.0000 52058.2583 -109601.2128 299.1795 -161659.4711 -109255.8899 299.3868 -46.9562 -22.4034 759862.0211 18.6332 18.6133 PRESSURE: 3117800 43.9137 -197.732 -184.728 -197.732 33.5582 208.662 -184.728 208.661 7.59047 GPRESSURE: 3117800 107.789 -106.079 -202.867 -39.8227 28.306 148.17 -213.992 277.592 32.2213 PRESSAVG: 3117800 56.6115 -27.4143 -40.5908 -27.4143 -22.4821 -9.82439 -40.5908 -9.82442 -14.0449 GPRESSAVG: 3117800 56.7193 -28.2 -40.8778 -25.7363 -22.0528 -10.3762 -39.4473 -8.48604 -14.2251 TIMING: 3117800 CPU: 9918.15, 0.00317928/step Wall: 9918.15, 0.00317928/step, 1.66223 hours remaining, 240.296875 MB of memory in use. ENERGY: 3117800 3948.0555 20444.2516 14534.0168 252.1946 -203041.3182 2372.3743 0.0000 0.0000 52174.9983 -109315.4273 299.8504 -161490.4255 -108934.3303 299.7863 28.3541 56.1056 760672.9587 6.6948 6.8138 PRESSURE: 3118000 -167.409 22.0434 -18.9149 22.0437 5.64574 -163.591 -18.9137 -163.591 -326.463 GPRESSURE: 3118000 -142.925 28.7801 43.326 -39.6071 165.427 -78.9431 -29.5811 -143.146 -407.041 PRESSAVG: 3118000 56.147 26.2611 -44.6076 26.2611 -75.1518 -3.63943 -44.6076 -3.63948 -16.7163 GPRESSAVG: 3118000 56.6704 26.7694 -43.1073 22.0025 -74.1884 -2.90498 -46.6312 -3.2979 -17.7108 TIMING: 3118000 CPU: 9918.79, 0.00318193/step Wall: 9918.79, 0.00318193/step, 1.66344 hours remaining, 240.296875 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: 3118000 4069.4652 20523.7599 14375.4983 250.2368 -203079.7395 2318.4270 0.0000 0.0000 52334.1287 -109208.2236 300.7650 -161542.3523 -108843.2135 299.9061 -162.7423 -128.1798 759712.9003 -11.9070 -11.7430 PRESSURE: 3118200 46.0034 -132.915 71.9384 -132.914 -43.9641 -19.9958 71.9392 -19.9964 -265.477 GPRESSURE: 3118200 18.7834 -97.0492 163.743 -103.492 48.0329 -78.3622 67.693 49.5832 -246.952 PRESSAVG: 3118200 6.23777 7.39462 -40.884 7.39467 5.45103 11.3371 -40.884 11.3371 17.5707 GPRESSAVG: 3118200 6.10233 8.30935 -39.111 10.7329 4.52049 11.4566 -40.9573 9.88748 18.8782 TIMING: 3118200 CPU: 9919.42, 0.0031523/step Wall: 9919.42, 0.0031523/step, 1.64777 hours remaining, 240.296875 MB of memory in use. ENERGY: 3118200 4109.1189 20495.4939 14442.3515 251.8984 -203446.5674 2665.1909 0.0000 0.0000 52192.8873 -109289.6265 299.9532 -161482.5139 -108921.3803 299.8571 -87.8124 -60.0453 761711.8697 9.7532 9.8337 PRESSURE: 3118400 84.9562 -143.396 -171.444 -143.395 134.417 -151.089 -171.445 -151.088 -272.404 GPRESSURE: 3118400 171.169 -68.6992 -171.648 -91.6526 170.277 -148.175 -148.724 -41.9784 -298.076 PRESSAVG: 3118400 74.6997 -42.7021 -13.3804 -42.7021 -53.7363 9.76009 -13.3805 9.76005 14.8431 GPRESSAVG: 3118400 74.003 -40.6465 -14.4166 -44.7538 -51.8677 8.16261 -11.2203 12.2084 14.0691 TIMING: 3118400 CPU: 9920.05, 0.00318812/step Wall: 9920.05, 0.00318812/step, 1.66632 hours remaining, 240.296875 MB of memory in use. ENERGY: 3118400 4004.9959 20649.9825 14455.4925 229.7161 -203131.0726 2411.9238 0.0000 0.0000 52101.3356 -109277.6262 299.4271 -161378.9618 -108922.9670 299.7905 -17.6768 14.4570 760580.6592 11.9355 12.0681 PRESSURE: 3118600 411.163 -135.939 53.9901 -135.939 199.501 175.435 53.99 175.434 57.6897 GPRESSURE: 3118600 381.921 -147.508 -54.9307 -140.885 205.02 131.112 31.0321 189.231 184.021 PRESSAVG: 3118600 31.3499 -23.2997 6.44634 -23.2997 14.3541 -33.8508 6.44637 -33.8508 -10.1387 GPRESSAVG: 3118600 32.2761 -24.9838 6.31439 -22.0004 12.5347 -32.7444 2.91701 -35.9022 -9.02913 TIMING: 3118600 CPU: 9920.7, 0.00321101/step Wall: 9920.7, 0.00321101/step, 1.67811 hours remaining, 240.296875 MB of memory in use. ENERGY: 3118600 3954.2034 20500.2601 14461.8183 256.4348 -203377.3150 2596.3848 0.0000 0.0000 52381.7611 -109226.4526 301.0387 -161608.2137 -108864.8226 300.0019 222.7847 256.9873 761635.3794 11.8551 11.9272 PRESSURE: 3118800 -80.0035 -70.9412 30.1681 -70.9417 -56.895 -47.0926 30.1678 -47.0921 40.8666 GPRESSURE: 3118800 81.5135 -124.013 -16.3147 -92.5261 -24.7619 12.8228 76.0735 32.5672 -38.5148 PRESSAVG: 3118800 -25.3239 -4.1877 27.9591 -4.18768 55.5148 -9.50726 27.9591 -9.50737 -32.6451 GPRESSAVG: 3118800 -25.86 -3.92868 27.6306 -4.28357 57.0734 -8.03087 29.4093 -9.95257 -33.4105 TIMING: 3118800 CPU: 9921.33, 0.0031748/step Wall: 9921.33, 0.0031748/step, 1.65901 hours remaining, 240.296875 MB of memory in use. ENERGY: 3118800 4081.4562 20395.5638 14479.9911 240.6606 -203175.1712 2642.1358 0.0000 0.0000 52226.2055 -109109.1581 300.1447 -161335.3636 -108745.5193 299.8698 -32.0106 6.0789 762290.3144 -0.8181 -0.7324 PRESSURE: 3119000 -38.2066 56.4317 80.0454 56.4314 -88.5041 77.4207 80.0453 77.4192 153.219 GPRESSURE: 3119000 38.5318 6.04002 127.561 2.26999 -70.5339 72.3961 164.495 29.032 134.893 PRESSAVG: 3119000 -33.1468 -39.2322 30.1065 -39.2322 26.4524 1.49935 30.1065 1.49928 -1.14409 GPRESSAVG: 3119000 -32.3195 -40.7911 30.2818 -37.2184 25.0817 -0.817254 30.4775 3.63195 -0.873271 TIMING: 3119000 CPU: 9921.97, 0.00317634/step Wall: 9921.97, 0.00317634/step, 1.65964 hours remaining, 240.296875 MB of memory in use. ENERGY: 3119000 3956.4794 20625.2696 14493.5392 263.2823 -203159.7600 2708.6054 0.0000 0.0000 52071.4137 -109041.1703 299.2551 -161112.5840 -108684.9761 299.9763 8.8362 34.2969 763127.1322 -2.6128 -2.7037 PRESSURE: 3119200 -13.8426 12.9789 -160.084 12.9786 -46.0169 172.051 -160.085 172.05 269.902 GPRESSURE: 3119200 45.3493 17.4267 -245.912 24.5882 -24.1019 128.8 -16.0612 181.743 270.549 PRESSAVG: 3119200 17.1277 -4.50316 1.60217 -4.50318 -21.298 -11.5867 1.60221 -11.5868 22.4223 GPRESSAVG: 3119200 16.7416 -4.0349 1.19578 -4.4771 -19.7602 -11.2895 2.96638 -13.4873 21.6892 TIMING: 3119200 CPU: 9922.6, 0.00318354/step Wall: 9922.6, 0.00318354/step, 1.66323 hours remaining, 240.296875 MB of memory in use. ENERGY: 3119200 4044.1666 20668.5849 14420.2856 275.1293 -203643.0307 3105.2319 0.0000 0.0000 52331.3728 -108798.2596 300.7491 -161129.6324 -108432.0974 300.8609 70.0141 97.2654 762122.4021 6.0840 6.2235 PRESSURE: 3119400 -241.383 30.3839 110.828 30.3837 -15.5837 -20.1878 110.827 -20.1881 -312.657 GPRESSURE: 3119400 -130.635 -25.7385 77.097 -16.5717 -22.7022 -38.715 69.5585 19.0798 -333.251 PRESSAVG: 3119400 117.86 -9.76393 -9.74973 -9.76391 -77.6646 -1.67484 -9.7497 -1.67492 -11.5711 GPRESSAVG: 3119400 118.618 -9.11291 -9.21719 -12.1149 -77.9653 -2.05895 -11.502 -1.08265 -11.6914 TIMING: 3119400 CPU: 9923.24, 0.00319274/step Wall: 9923.24, 0.00319275/step, 1.66785 hours remaining, 240.296875 MB of memory in use. ENERGY: 3119400 4008.7916 20543.0708 14477.1289 255.1549 -202868.1688 2488.9126 0.0000 0.0000 52323.2688 -108771.8411 300.7025 -161095.1099 -108397.4674 300.4502 -189.8746 -162.1958 762877.0586 9.5415 9.6539 PRESSURE: 3119600 140.989 -112.267 -11.4313 -112.267 -306.847 -10.0463 -11.4317 -10.0463 -112.709 GPRESSURE: 3119600 60.9085 -64.8148 -19.2373 -186.686 -257.347 10.8532 -11.1247 -26.5466 -2.17468 PRESSAVG: 3119600 74.9928 -20.9261 26.2774 -20.9261 -54.2094 -7.0488 26.2774 -7.04891 18.0576 GPRESSAVG: 3119600 74.031 -20.6895 25.4249 -18.4826 -53.8909 -5.32357 27.0399 -7.09108 18.3798 TIMING: 3119600 CPU: 9923.88, 0.00319134/step Wall: 9923.88, 0.00319134/step, 1.66694 hours remaining, 240.296875 MB of memory in use. ENERGY: 3119600 4001.7758 20513.9047 14519.2757 250.1424 -202765.1120 2447.1242 0.0000 0.0000 52257.9835 -108774.9057 300.3273 -161032.8893 -108407.5006 300.9449 -92.8555 -66.2044 761432.1802 12.9470 12.8400 PRESSURE: 3119800 430.681 -16.8142 58.0347 -16.8153 -99.0328 87.0204 58.0352 87.021 -371.137 GPRESSURE: 3119800 354.751 -104.537 8.31837 -56.7896 44.578 78.7256 62.2536 64.6397 -355.817 PRESSAVG: 3119800 47.3153 -39.1136 35.5497 -39.1136 -6.42596 42.1365 35.5498 42.1365 19.5738 GPRESSAVG: 3119800 47.1119 -38.9928 36.1787 -42.0226 -6.33594 40.9392 33.098 44.1613 19.8794 TIMING: 3119800 CPU: 9924.52, 0.00318097/step Wall: 9924.52, 0.00318097/step, 1.66135 hours remaining, 240.296875 MB of memory in use. ENERGY: 3119800 4076.1699 20543.2355 14427.3034 266.9015 -203020.6997 2445.6725 0.0000 0.0000 52484.8211 -108776.5959 301.6310 -161261.4171 -108420.1362 300.7735 -13.1627 14.5041 760716.9024 20.1544 20.2185 PRESSURE: 3120000 -3.43119 133.13 161.032 133.13 -136.684 -23.6958 161.033 -23.6973 129.633 GPRESSURE: 3120000 133.811 237.849 174.084 98.3041 -164.487 -2.29791 198.789 -38.6496 106.775 PRESSAVG: 3120000 18.8513 8.71007 22.9994 8.71008 24.3984 21.517 22.9993 21.517 5.45356 GPRESSAVG: 3120000 18.5961 7.96352 21.9125 9.48656 25.1612 21.4789 24.2324 21.081 5.11091 TIMING: 3120000 CPU: 9925.15, 0.00318773/step Wall: 9925.15, 0.00318773/step, 1.66471 hours remaining, 240.296875 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: 3120000 3882.6287 20565.4437 14475.9769 252.4532 -202919.8559 2304.4611 0.0000 0.0000 52317.1488 -109121.7434 300.6674 -161438.8922 -108767.2210 300.2344 -3.4938 25.3663 761260.0370 16.2344 16.2894 PRESSURE: 3120200 -109.017 130.009 -230.609 130.01 -86.8839 170.391 -230.609 170.392 470.365 GPRESSURE: 3120200 28.7294 132.878 -193.944 161.471 -142.352 102.251 -116.83 150.076 491.187 PRESSAVG: 3120200 -28.25 15.2002 3.72798 15.2002 -0.831998 8.8581 3.728 8.85823 7.22318 GPRESSAVG: 3120200 -27.1789 15.8659 4.22937 16.01 -2.87169 9.58695 3.22347 6.89816 8.12378 TIMING: 3120200 CPU: 9925.79, 0.00318879/step Wall: 9925.79, 0.00318879/step, 1.66508 hours remaining, 240.296875 MB of memory in use. ENERGY: 3120200 3937.9887 20648.8759 14597.5379 243.7489 -203104.0064 2258.1149 0.0000 0.0000 52126.8477 -109290.8923 299.5737 -161417.7401 -108928.1831 299.9790 91.4879 125.8548 758368.4082 -7.2863 -7.3089 LDB: ============= START OF LOAD BALANCING ============== 9938.24 LDB: ============== END OF LOAD BALANCING =============== 9938.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9938.25 LDB: ============= START OF LOAD BALANCING ============== 9938.56 LDB: Largest compute 7056 load 0.035563 is 18.2% of average load 0.195350 LDB: Average compute 0.004392 is 2.2% of average load 0.195350 LDB: TIME 9938.57 LOAD: AVG 0.19535 MAX 0.214064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.766 MB LDB: TIME 9938.57 LOAD: AVG 0.19535 MAX 0.214064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.766 MB LDB: TIME 9938.57 LOAD: AVG 0.19535 MAX 0.214064 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.766 MB LDB: ============== END OF LOAD BALANCING =============== 9938.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9938.57 PRESSURE: 3120400 -192.381 -37.5013 341.686 -37.5019 -250.005 -93.4435 341.686 -93.4422 -155.004 GPRESSURE: 3120400 -171.081 165.358 347.04 -19.3308 -222.653 -128.574 331.333 -57.2272 -129.196 PRESSAVG: 3120400 33.3225 0.641722 54.2834 0.641716 -9.41037 -34.0963 54.2834 -34.0962 19.1461 GPRESSAVG: 3120400 32.3622 -0.625626 54.948 2.38896 -8.93015 -34.983 52.4366 -33.4041 18.3575 TIMING: 3120400 CPU: 9926.44, 0.00322915/step Wall: 9926.44, 0.00322915/step, 1.68598 hours remaining, 240.996094 MB of memory in use. ENERGY: 3120400 4011.7256 20614.0439 14537.8411 269.5039 -203219.5618 2357.9297 0.0000 0.0000 52042.1419 -109386.3758 299.0869 -161428.5177 -109018.3159 299.8948 -199.1301 -174.3101 760001.0942 14.3527 13.9298 PRESSURE: 3120600 520.736 55.2925 -155.164 55.2927 180.782 67.2497 -155.164 67.2496 77.6431 GPRESSURE: 3120600 527.343 63.5538 -192.014 48.6472 266.127 -47.0264 -40.592 211.506 63.8834 PRESSAVG: 3120600 -21.4998 31.3479 23.7906 31.3479 -24.4054 54.3078 23.7905 54.3079 7.84704 GPRESSAVG: 3120600 -21.4898 35.7455 23.7343 29.0391 -23.7118 54.4689 26.5443 54.0336 6.67711 TIMING: 3120600 CPU: 9927.07, 0.00317126/step Wall: 9927.07, 0.00317126/step, 1.65557 hours remaining, 240.996094 MB of memory in use. ENERGY: 3120600 3899.2357 20676.5754 14410.7595 244.6018 -203288.9499 2729.0211 0.0000 0.0000 52027.3244 -109301.4320 299.0017 -161328.7564 -108947.6703 299.4954 259.7202 285.7843 759304.1463 -12.6860 -12.8415 PRESSURE: 3120800 -139.782 18.0944 64.2686 18.0953 -53.6392 302.812 64.2685 302.811 -23.663 GPRESSURE: 3120800 -94.4846 -98.9556 69.2246 78.2563 0.312877 215.079 50.2807 248.592 -38.3419 PRESSAVG: 3120800 58.965 19.2907 40.2363 19.2907 -6.7369 5.37385 40.2363 5.37385 3.98677 GPRESSAVG: 3120800 58.0876 15.2127 39.7412 19.0046 -6.76798 6.30847 39.4876 4.29235 4.35424 TIMING: 3120800 CPU: 9927.71, 0.00318688/step Wall: 9927.71, 0.00318688/step, 1.66355 hours remaining, 240.996094 MB of memory in use. ENERGY: 3120800 3979.1626 20492.4824 14460.7110 254.9960 -203169.0518 2426.8531 0.0000 0.0000 52120.9173 -109433.9295 299.5396 -161554.8468 -109080.7228 299.6416 -72.3614 -44.1712 760430.9595 18.7383 18.5580 PRESSURE: 3121000 17.0194 74.147 -68.8629 74.1466 13.0865 149.786 -68.8625 149.786 -225.521 GPRESSURE: 3121000 88.617 48.0233 -40.4427 25.4891 -47.4261 179.183 -10.0398 -25.2018 -165.323 PRESSAVG: 3121000 10.1092 35.7698 24.2542 35.7697 -35.7854 45.4031 24.2543 45.4031 24.5118 GPRESSAVG: 3121000 10.9554 34.7576 23.5616 36.8383 -37.4045 45.0219 24.8894 45.2492 25.1297 TIMING: 3121000 CPU: 9928.35, 0.00318525/step Wall: 9928.35, 0.00318525/step, 1.66253 hours remaining, 240.996094 MB of memory in use. ENERGY: 3121000 4083.4575 20415.7587 14469.7967 270.1193 -203129.9266 2664.8593 0.0000 0.0000 51905.9360 -109319.9991 298.3041 -161225.9351 -108966.4332 299.4528 -65.1384 -41.3774 761835.0777 -0.3881 -0.4398 PRESSURE: 3121200 -357.736 21.7778 -3.61726 21.7772 -125.283 -33.5018 -3.61608 -33.5021 159.121 GPRESSURE: 3121200 -348.523 32.523 5.89644 -5.31778 -45.0076 -33.8662 -75.2971 -39.8399 143.806 PRESSAVG: 3121200 45.7678 15.6945 56.9174 15.6945 0.28716 19.381 56.9175 19.381 19.7532 GPRESSAVG: 3121200 44.8829 18.4025 56.1394 13.1221 0.704734 18.2196 56.8964 18.7879 19.8053 TIMING: 3121200 CPU: 9928.98, 0.00317437/step Wall: 9928.98, 0.00317437/step, 1.65667 hours remaining, 240.996094 MB of memory in use. ENERGY: 3121200 3950.8450 20531.9701 14436.0069 241.0107 -202907.4662 2357.6182 0.0000 0.0000 52119.3230 -109270.6922 299.5305 -161390.0152 -108922.4425 299.9139 -107.9663 -83.2415 761137.9503 21.9360 21.7977 PRESSURE: 3121400 49.6419 -76.1225 -31.6924 -76.122 57.2906 -373.612 -31.6921 -373.613 312.631 GPRESSURE: 3121400 84.8832 -32.148 -73.8536 -52.0997 111.551 -262.846 -12.0957 -356.647 303.591 PRESSAVG: 3121400 -13.2312 -18.4068 -4.90455 -18.4069 2.54199 -35.9554 -4.90449 -35.9554 28.7503 GPRESSAVG: 3121400 -12.6448 -20.4288 -3.58872 -16.6319 2.35273 -34.8262 -4.93358 -33.7279 28.2052 TIMING: 3121400 CPU: 9929.62, 0.00317766/step Wall: 9929.62, 0.00317766/step, 1.65821 hours remaining, 240.996094 MB of memory in use. ENERGY: 3121400 4029.5031 20542.8070 14466.0548 228.9794 -203286.3273 2695.2515 0.0000 0.0000 52128.6135 -109195.1181 299.5839 -161323.7316 -108836.4307 299.4623 139.8546 166.6751 761917.7812 6.0204 5.9710 PRESSURE: 3121600 66.69 -189.368 275.313 -189.368 -128.315 160.669 275.314 160.67 -250.134 GPRESSURE: 3121600 42.4993 -217.921 325.325 -161.545 -31.3399 206.754 168.697 131.271 -234.022 PRESSAVG: 3121600 49.7569 -4.0095 -24.6315 -4.0095 -0.138328 0.249309 -24.6314 0.249221 -5.55296 GPRESSAVG: 3121600 49.1635 -2.57943 -23.9794 -4.51232 0.442717 -0.82263 -25.5549 1.622 -5.15757 TIMING: 3121600 CPU: 9930.26, 0.00319424/step Wall: 9930.26, 0.00319424/step, 1.66668 hours remaining, 240.996094 MB of memory in use. ENERGY: 3121600 4026.9619 20623.9183 14526.2596 233.0209 -203462.3945 2662.1570 0.0000 0.0000 52037.4783 -109352.5985 299.0601 -161390.0769 -109001.8303 299.6402 -103.9195 -74.2876 761087.8102 14.6885 14.8162 PRESSURE: 3121800 5.53186 34.7475 125.509 34.7478 -243.759 62.8658 125.509 62.8658 -172.89 GPRESSURE: 3121800 18.6766 69.0776 139.753 19.4648 -135.245 115.33 91.3963 -49.1093 -199.841 PRESSAVG: 3121800 -14.6505 7.01034 16.7835 7.01031 32.1535 30.2033 16.7835 30.2033 15.576 GPRESSAVG: 3121800 -14.1315 6.29745 18.2367 4.89781 32.8069 30.4097 15.2499 27.1443 14.5072 TIMING: 3121800 CPU: 9930.9, 0.00319866/step Wall: 9930.9, 0.00319866/step, 1.66881 hours remaining, 240.996094 MB of memory in use. ENERGY: 3121800 3925.5792 20300.7921 14443.9218 211.7708 -203174.6114 2533.5365 0.0000 0.0000 52312.1125 -109446.8984 300.6384 -161759.0109 -109067.6946 299.4850 -137.0389 -105.4700 762243.0076 11.0263 11.0608 PRESSURE: 3122000 17.0143 135.201 63.1292 135.201 11.5998 -235.602 63.1299 -235.601 85.8858 GPRESSURE: 3122000 130.765 232.674 42.3939 95.8356 -34.0018 -156.099 46.7186 -80.6433 85.0472 PRESSAVG: 3122000 -2.16088 4.40779 17.6687 4.40777 42.5258 1.31473 17.6686 1.31467 8.21336 GPRESSAVG: 3122000 -2.07844 4.74202 15.883 5.88556 42.1724 2.62295 19.6326 3.51279 8.20559 TIMING: 3122000 CPU: 9931.53, 0.00317366/step Wall: 9931.53, 0.00317366/step, 1.65559 hours remaining, 240.996094 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: 3122000 4008.1280 20678.7964 14392.3468 244.4620 -203191.0865 2384.4595 0.0000 0.0000 52073.0166 -109409.8772 299.2643 -161482.8938 -109055.1419 299.1594 38.1666 60.6036 759514.3425 16.1928 16.0998 PRESSURE: 3122200 164.304 151.988 267.624 151.988 -187.465 -112.503 267.624 -112.503 -24.5382 GPRESSURE: 3122200 288.971 56.1297 105.678 141.732 -207.024 -114.749 381.744 -21.7605 -60.2773 PRESSAVG: 3122200 -9.36778 30.0213 6.22879 30.0213 33.5519 13.3846 6.22879 13.3846 -18.7024 GPRESSAVG: 3122200 -10.3698 28.1539 6.14117 31.518 33.992 13.6126 5.11251 14.2794 -18.5041 TIMING: 3122200 CPU: 9932.17, 0.0031861/step Wall: 9932.17, 0.0031861/step, 1.66191 hours remaining, 240.996094 MB of memory in use. ENERGY: 3122200 4013.5555 20399.7483 14435.5477 215.5201 -203474.4472 2511.2271 0.0000 0.0000 52369.4672 -109529.3812 300.9680 -161898.8484 -109156.9828 299.4496 -15.8995 7.2231 758336.7319 1.8273 1.7060 PRESSURE: 3122400 -338.773 26.6436 37.8063 26.6435 -16.9173 102.635 37.8069 102.635 -147.531 GPRESSURE: 3122400 -401.824 -0.528509 29.7697 3.34507 122.38 81.3683 33.9498 -18.3583 -135.394 PRESSAVG: 3122400 -5.81364 3.4332 62.4934 3.43326 0.881573 -7.68592 62.4934 -7.68591 22.7101 GPRESSAVG: 3122400 -5.41815 4.15829 62.7959 2.00975 -0.623415 -8.82502 63.8557 -7.41524 24.3911 TIMING: 3122400 CPU: 9932.81, 0.00320601/step Wall: 9932.81, 0.00320601/step, 1.67211 hours remaining, 240.996094 MB of memory in use. ENERGY: 3122400 4019.6984 20620.9331 14491.0760 257.6816 -203124.2130 2186.4444 0.0000 0.0000 51961.8059 -109586.5735 298.6252 -161548.3794 -109235.6133 299.4875 -167.7402 -138.2792 759954.0572 5.9260 6.1165 PRESSURE: 3122600 -68.0987 -127.438 12.8015 -127.438 -23.0485 -84.3207 12.8011 -84.3208 71.4192 GPRESSURE: 3122600 17.6142 -66.9192 11.1341 -255.452 18.3034 -97.3379 -9.54781 -129.745 47.0847 PRESSAVG: 3122600 2.66352 3.32356 -10.6946 3.32358 7.05665 -44.4867 -10.6945 -44.4867 2.52756 GPRESSAVG: 3122600 2.9317 5.86018 -9.53632 2.56259 9.14658 -44.1836 -13.3269 -46.7074 0.734366 TIMING: 3122600 CPU: 9933.44, 0.00317367/step Wall: 9933.44, 0.00317367/step, 1.65507 hours remaining, 240.996094 MB of memory in use. ENERGY: 3122600 4032.4257 20483.8009 14555.7202 245.0807 -203286.2484 2479.2340 0.0000 0.0000 52054.2322 -109435.7547 299.1564 -161489.9869 -109070.4577 299.2062 -6.5760 27.6674 758967.8452 4.0826 4.2709 PRESSURE: 3122800 -189.214 151.712 139.654 151.711 102.703 59.0434 139.654 59.0439 315.535 GPRESSURE: 3122800 -129.681 210.352 176.72 13.8128 24.3241 115.22 200.788 3.41286 402.584 PRESSAVG: 3122800 69.5865 -5.52437 35.6392 -5.52435 -50.4837 12.4168 35.6392 12.4167 1.33047 GPRESSAVG: 3122800 69.005 -7.7112 34.9692 -4.70494 -51.0227 12.6638 37.3768 13.1282 2.16707 TIMING: 3122800 CPU: 9934.08, 0.00317621/step Wall: 9934.08, 0.00317621/step, 1.65622 hours remaining, 240.996094 MB of memory in use. ENERGY: 3122800 3944.7573 20398.1709 14468.4616 230.6242 -202903.4730 2312.7051 0.0000 0.0000 52154.7258 -109394.0282 299.7339 -161548.7540 -109020.6612 299.6751 76.3411 99.0754 760935.5501 6.8111 6.7165 PRESSURE: 3123000 147.888 75.2626 -109.915 75.2623 174.68 96.073 -109.916 96.0731 169.395 GPRESSURE: 3123000 223.428 12.5133 -113.583 -107.336 192.829 135.322 -42.3418 -70.9811 166.045 PRESSAVG: 3123000 70.6562 -34.0223 24.9343 -34.0223 -83.2802 16.9746 24.9343 16.9747 -13.4063 GPRESSAVG: 3123000 71.1914 -32.0518 21.7023 -35.9195 -84.5216 17.5652 27.2407 17.9955 -12.998 TIMING: 3123000 CPU: 9934.72, 0.00320202/step Wall: 9934.72, 0.00320202/step, 1.6695 hours remaining, 240.996094 MB of memory in use. ENERGY: 3123000 3983.9910 20365.4333 14460.8463 265.2225 -203458.4105 2639.5728 0.0000 0.0000 52252.0176 -109491.3269 300.2931 -161743.3445 -109132.9564 299.4260 163.9876 194.1008 760097.0680 -8.6768 -8.7761 PRESSURE: 3123200 73.7775 163.159 76.9761 163.158 -36.8514 -191.197 76.9766 -191.197 -192.803 GPRESSURE: 3123200 95.2983 65.4125 109.295 40.2125 17.0854 -182.761 1.93321 -95.4605 -189.355 PRESSAVG: 3123200 77.2692 -34.3534 24.3908 -34.3535 -54.0425 -43.9724 24.3907 -43.9724 -4.51712 GPRESSAVG: 3123200 76.3867 -35.9685 25.5625 -35.6953 -54.1132 -46.1961 20.0581 -44.0587 -3.57311 TIMING: 3123200 CPU: 9935.36, 0.00319021/step Wall: 9935.36, 0.00319021/step, 1.66316 hours remaining, 240.996094 MB of memory in use. ENERGY: 3123200 3946.1694 20558.2547 14506.9759 253.3476 -203601.1113 2547.8560 0.0000 0.0000 52183.8608 -109604.6469 299.9014 -161788.5077 -109249.1826 299.2628 -51.9589 -25.6571 760077.3442 6.2365 6.2335 PRESSURE: 3123400 -95.9066 16.6456 -206.223 16.6456 84.8257 58.4646 -206.223 58.4648 -63.2551 GPRESSURE: 3123400 -89.4118 -21.524 -228.496 -28.1124 170.738 86.0105 -144.731 28.3361 -64.3492 PRESSAVG: 3123400 24.3564 -53.1601 -37.0313 -53.1601 -31.2633 0.37826 -37.0313 0.378168 18.9775 GPRESSAVG: 3123400 23.2124 -54.5559 -37.8606 -51.0408 -29.2497 1.72449 -35.6785 1.47401 18.2134 TIMING: 3123400 CPU: 9935.99, 0.00316642/step Wall: 9935.99, 0.00316642/step, 1.65058 hours remaining, 240.996094 MB of memory in use. ENERGY: 3123400 3915.9359 20417.5354 14402.6092 242.7116 -203173.6795 2530.1177 0.0000 0.0000 52246.1743 -109418.5953 300.2595 -161664.7697 -109051.8679 299.3605 -24.7787 5.6588 759790.2507 4.0235 4.0587 PRESSURE: 3123600 -116.271 12.2826 -167.535 12.2838 149.186 182.627 -167.536 182.628 173.895 GPRESSURE: 3123600 -138.018 72.9261 -247.079 89.5273 226.205 221.222 -26.0357 165.73 196.301 PRESSAVG: 3123600 -15.8912 10.3699 62.1318 10.3698 -26.8379 30.4801 62.1318 30.4801 -18.3255 GPRESSAVG: 3123600 -14.9564 11.6558 62.4979 12.0629 -29.2511 29.5038 61.1883 28.3286 -17.5096 TIMING: 3123600 CPU: 9936.63, 0.00322042/step Wall: 9936.63, 0.00322042/step, 1.67855 hours remaining, 240.996094 MB of memory in use. ENERGY: 3123600 3929.2696 20558.5503 14557.9800 227.3883 -203130.7461 2335.3488 0.0000 0.0000 52269.3169 -109252.8922 300.3925 -161522.2091 -108894.7811 300.0776 68.9366 94.8296 759562.6251 -20.3515 -20.5724 PRESSURE: 3123800 -332.625 165.262 246.642 165.261 21.7366 142.385 246.642 142.385 -26.343 GPRESSURE: 3123800 -288.283 187.035 200.456 165.064 57.5561 65.8126 181.934 83.4191 -20.8631 PRESSAVG: 3123800 17.0331 37.3279 18.7755 37.328 -33.9835 46.4475 18.7755 46.4475 29.1973 GPRESSAVG: 3123800 17.2881 36.8147 19.3322 37.6784 -33.2114 48.2186 16.85 45.5775 27.8915 TIMING: 3123800 CPU: 9937.28, 0.00323609/step Wall: 9937.28, 0.00323609/step, 1.68654 hours remaining, 240.996094 MB of memory in use. ENERGY: 3123800 4025.7793 20424.1366 14454.1213 241.4339 -202608.6840 1961.5622 0.0000 0.0000 52093.9803 -109407.6704 299.3848 -161501.6507 -109024.7718 299.5828 -112.4104 -83.8635 760768.9029 4.0823 3.9894 PRESSURE: 3124000 -95.9545 -56.8513 365.142 -56.8512 -400.766 -212.992 365.141 -212.992 385.573 GPRESSURE: 3124000 -8.60919 -167.252 362.301 -154.669 -404.784 -258.219 272.494 -113.498 373.559 PRESSAVG: 3124000 30.2898 -1.9943 56.0229 -1.9943 -63.9946 2.59581 56.0229 2.59581 0.825667 GPRESSAVG: 3124000 28.9655 -1.43796 55.563 -2.08237 -64.6163 2.15112 58.6737 2.0186 2.61122 TIMING: 3124000 CPU: 9937.92, 0.00319178/step Wall: 9937.92, 0.00319178/step, 1.66327 hours remaining, 240.996094 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: 3124000 3907.5100 20411.0185 14429.5876 255.7384 -203406.4273 2594.7019 0.0000 0.0000 52376.7049 -109431.1659 301.0096 -161807.8708 -109076.3659 299.8750 -37.0493 -13.2780 761940.5383 -10.9597 -11.0132 PRESSURE: 3124200 118.886 -34.8995 -192.497 -34.8996 149.256 84.4955 -192.497 84.4961 317.487 GPRESSURE: 3124200 129.059 -36.6218 -137.986 -18.009 190.079 23.3658 -225.389 218.119 346.408 PRESSAVG: 3124200 20.2429 42.6424 56.1375 42.6424 5.83699 32.2776 56.1375 32.2776 -21.9052 GPRESSAVG: 3124200 19.7841 41.6317 56.8849 41.3053 7.30311 30.9979 56.4607 34.8045 -22.4257 TIMING: 3124200 CPU: 9938.55, 0.00317141/step Wall: 9938.55, 0.00317141/step, 1.65248 hours remaining, 240.996094 MB of memory in use. ENERGY: 3124200 3949.9503 20483.7404 14538.5711 247.9753 -202962.9168 2254.4309 0.0000 0.0000 51818.1778 -109670.0711 297.7998 -161488.2489 -109305.7560 299.1467 195.2096 221.8487 762521.6906 1.3916 1.5539 LDB: ============= START OF LOAD BALANCING ============== 9951.01 LDB: ============== END OF LOAD BALANCING =============== 9951.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9951.01 LDB: ============= START OF LOAD BALANCING ============== 9951.33 LDB: Largest compute 7060 load 0.036165 is 18.5% of average load 0.195318 LDB: Average compute 0.004388 is 2.2% of average load 0.195318 LDB: TIME 9951.33 LOAD: AVG 0.195318 MAX 0.216846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.633 MB LDB: TIME 9951.33 LOAD: AVG 0.195318 MAX 0.216846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.633 MB LDB: TIME 9951.33 LOAD: AVG 0.195318 MAX 0.216846 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.633 MB LDB: ============== END OF LOAD BALANCING =============== 9951.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9951.34 PRESSURE: 3124400 284.165 -24.1347 24.0564 -24.1339 -0.285179 203.808 24.0562 203.809 94.3973 GPRESSURE: 3124400 374.546 40.0044 57.2178 76.6744 -36.645 241.657 41.846 123.675 116.816 PRESSAVG: 3124400 -21.2936 2.26436 22.9049 2.26436 5.42671 45.0918 22.9048 45.0918 25.9832 GPRESSAVG: 3124400 -20.9224 2.69516 22.8386 6.1422 4.58476 46.0863 19.8563 42.9451 25.8291 TIMING: 3124400 CPU: 9939.2, 0.00324722/step Wall: 9939.2, 0.00324722/step, 1.6918 hours remaining, 240.535156 MB of memory in use. ENERGY: 3124400 4005.2528 20607.3209 14475.1881 248.8173 -203403.2148 2609.8016 0.0000 0.0000 51872.1437 -109584.6903 298.1099 -161456.8340 -109229.8147 298.6297 126.0924 151.5725 762555.8316 3.3721 3.1638 PRESSURE: 3124600 230.233 62.216 -13.3552 62.2151 49.4536 -216.979 -13.3554 -216.979 228.973 GPRESSURE: 3124600 310.425 -89.5245 65.7004 -120.562 79.8449 -204.438 41.5968 -119.02 206.749 PRESSAVG: 3124600 60.425 13.8696 32.9899 13.8695 -67.8775 -5.59523 32.9899 -5.59514 -19.2785 GPRESSAVG: 3124600 61.9098 14.8769 33.2396 8.95618 -67.983 -7.51044 35.5569 -3.23626 -20.6853 TIMING: 3124600 CPU: 9939.84, 0.00319487/step Wall: 9939.84, 0.00319487/step, 1.66435 hours remaining, 240.738281 MB of memory in use. ENERGY: 3124600 3912.4484 20528.1408 14477.2058 229.7816 -203058.0086 2509.1484 0.0000 0.0000 51971.0839 -109430.1997 298.6785 -161401.2836 -109074.9785 299.3446 169.5532 199.0064 761773.9495 -8.9104 -8.9195 PRESSURE: 3124800 -110.276 44.5574 33.9447 44.5571 -237.077 122.164 33.944 122.164 -196.525 GPRESSURE: 3124800 -97.9317 119.307 9.3224 51.5385 -165.456 107.758 -4.41668 107.468 -178.666 PRESSAVG: 3124800 -20.1889 55.7096 3.3642 55.7096 23.5804 34.2664 3.3642 34.2664 -12.1902 GPRESSAVG: 3124800 -21.6221 55.7827 2.76657 58.0941 23.9855 36.6692 1.87982 33.1228 -10.9759 TIMING: 3124800 CPU: 9940.48, 0.00318364/step Wall: 9940.48, 0.00318364/step, 1.65832 hours remaining, 240.738281 MB of memory in use. ENERGY: 3124800 3984.2501 20419.4065 14519.3392 220.7588 -202964.6183 2368.2353 0.0000 0.0000 51987.7268 -109464.9017 298.7742 -161452.6284 -109109.5107 299.6448 -181.2926 -147.3512 761666.3036 -2.9329 -2.8708 PRESSURE: 3125000 80.2681 92.8595 76.4857 92.8582 2.08988 84.3499 76.4858 84.3503 112.071 GPRESSURE: 3125000 42.7964 -17.7871 134.082 17.7396 78.41 32.7667 8.88935 153.649 144.32 PRESSAVG: 3125000 52.2927 -20.1929 44.9667 -20.1929 -64.5032 4.84397 44.9667 4.84406 10.6832 GPRESSAVG: 3125000 52.3499 -21.5674 44.9056 -19.9509 -64.0303 3.09694 45.314 5.03648 9.69175 TIMING: 3125000 CPU: 9941.12, 0.00318003/step Wall: 9941.12, 0.00318003/step, 1.65627 hours remaining, 240.738281 MB of memory in use. ENERGY: 3125000 3963.4935 20543.7651 14426.4008 238.7435 -203059.6748 2128.9122 0.0000 0.0000 52374.2994 -109384.0603 300.9958 -161758.3597 -109014.5585 299.5458 64.8095 88.5089 759586.6224 -0.5091 -0.6629 PRESSURE: 3125200 -21.7383 -62.7365 -51.1936 -62.7373 73.5494 -58.935 -51.1937 -58.9351 -123.549 GPRESSURE: 3125200 16.1721 -29.6136 -30.0421 58.9003 67.5677 -31.3761 -161.324 7.77396 -65.0669 PRESSAVG: 3125200 28.9946 16.3915 30.1672 16.3914 -1.35444 10.0075 30.1672 10.0075 -31.3273 GPRESSAVG: 3125200 30.2626 17.3566 30.2528 17.0331 -3.54808 12.5078 31.8143 11.1875 -29.8613 TIMING: 3125200 CPU: 9941.75, 0.00317332/step Wall: 9941.75, 0.00317332/step, 1.65259 hours remaining, 240.738281 MB of memory in use. ENERGY: 3125200 3986.6887 20722.7528 14435.2522 250.1945 -202965.3253 2201.4393 0.0000 0.0000 52082.9586 -109286.0391 299.3215 -161368.9977 -108926.1152 300.2971 -23.9125 6.2243 759804.4531 -1.2291 -1.0489 PRESSURE: 3125400 82.5936 -121.531 202.714 -121.531 60.3558 -28.8831 202.714 -28.8825 -101.604 GPRESSURE: 3125400 42.023 -71.2835 117.804 -176.076 137.235 64.669 252.158 -106.619 -69.0792 PRESSAVG: 3125400 14.9335 -5.74242 30.8385 -5.74247 -11.7513 15.3316 30.8385 15.3316 2.94483 GPRESSAVG: 3125400 14.7091 -6.09309 30.6966 -5.28157 -10.2214 14.5762 30.1602 13.7915 1.79073 TIMING: 3125400 CPU: 9942.38, 0.00317402/step Wall: 9942.38, 0.00317402/step, 1.65278 hours remaining, 240.738281 MB of memory in use. ENERGY: 3125400 3980.0004 20318.0116 14483.0481 253.0360 -203420.5738 2582.8416 0.0000 0.0000 52400.0439 -109403.5922 301.1438 -161803.6360 -109029.5886 299.5726 13.7817 36.7261 760012.2468 2.0423 2.0928 PRESSURE: 3125600 225.19 210.205 181.135 210.204 -313.996 -15.5246 181.135 -15.525 -172.706 GPRESSURE: 3125600 180.65 276.134 166.157 210.308 -230.9 -13.51 174.849 -51.2527 -131.298 PRESSAVG: 3125600 -17.0335 -32.743 -30.8758 -32.743 -27.2259 68.76 -30.8758 68.76 -10.2364 GPRESSAVG: 3125600 -17.237 -33.227 -29.8796 -34.1393 -26.9765 67.7296 -30.7663 69.4835 -10.4155 TIMING: 3125600 CPU: 9943.02, 0.00318327/step Wall: 9943.02, 0.00318327/step, 1.65742 hours remaining, 240.738281 MB of memory in use. ENERGY: 3125600 4023.8683 20537.8724 14511.8658 239.1102 -202894.5148 2484.8559 0.0000 0.0000 51951.8505 -109145.0916 298.5680 -161096.9421 -108783.9561 299.7453 -87.1704 -60.5160 763174.6822 -18.1653 -18.2096 PRESSURE: 3125800 -256.967 -12.9222 -120.077 -12.9217 -69.2176 -282.83 -120.077 -282.829 -48.5058 GPRESSURE: 3125800 -134.673 39.1237 -136.05 -55.7043 -37.82 -347.438 -191.017 -323.565 -109.963 PRESSAVG: 3125800 -24.2189 -31.1497 11.0936 -31.1498 4.40547 -53.2634 11.0936 -53.2633 14.6878 GPRESSAVG: 3125800 -24.48 -29.5605 9.31117 -30.8258 4.6947 -53.2653 9.98748 -51.4338 14.3854 TIMING: 3125800 CPU: 9943.66, 0.00319321/step Wall: 9943.66, 0.00319321/step, 1.66242 hours remaining, 240.738281 MB of memory in use. ENERGY: 3125800 3964.1071 20487.9818 14416.4148 250.2571 -202577.9727 2029.2158 0.0000 0.0000 52181.6947 -109248.3014 299.8889 -161429.9961 -108877.7508 299.4713 -124.8967 -94.1521 763209.6586 -1.7086 -1.8000 PRESSURE: 3126000 -142.924 -201.231 114.107 -201.231 -266.534 53.7172 114.107 53.7179 342.36 GPRESSURE: 3126000 -33.2317 -294.854 130.977 -232.517 -234.758 101.662 198.695 -55.2896 283.065 PRESSAVG: 3126000 -28.799 -6.26399 17.2856 -6.26398 28.4987 7.2636 17.2856 7.26363 -1.07119 GPRESSAVG: 3126000 -29.2135 -6.33629 17.4203 -7.59171 28.2924 7.77944 16.3679 2.13056 0.0548865 TIMING: 3126000 CPU: 9944.29, 0.00316984/step Wall: 9944.29, 0.00316984/step, 1.65008 hours remaining, 240.738281 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: 3126000 3926.0973 20533.0148 14462.0154 256.2133 -203164.0115 2529.7846 0.0000 0.0000 52046.8471 -109410.0391 299.1139 -161456.8862 -109045.3563 299.7194 -22.3660 5.0249 761617.4191 -0.4572 -0.2887 PRESSURE: 3126200 -84.6871 -304.052 40.0708 -304.052 -7.69832 137.686 40.0709 137.685 1.9975 GPRESSURE: 3126200 33.1412 -139.526 16.9934 -243.804 9.09941 165.991 91.5171 290.7 -41.3785 PRESSAVG: 3126200 -8.08284 -76.007 24.345 -76.007 30.3655 -14.1817 24.345 -14.1817 18.438 GPRESSAVG: 3126200 -6.52463 -76.9593 25.1669 -73.9611 30.3742 -13.6407 26.4098 -10.0283 17.103 TIMING: 3126200 CPU: 9944.93, 0.00316325/step Wall: 9944.93, 0.00316324/step, 1.64647 hours remaining, 240.738281 MB of memory in use. ENERGY: 3126200 3924.6735 20564.1878 14543.0865 239.1403 -203203.3785 2458.8633 0.0000 0.0000 52178.1347 -109295.2924 299.8685 -161473.4271 -108931.9890 299.8314 -30.1293 0.2874 762021.2906 13.5736 13.6509 PRESSURE: 3126400 -145.23 -76.3207 -91.0027 -76.3203 92.3686 61.0342 -91.0032 61.0332 -11.4385 GPRESSURE: 3126400 7.87684 -24.8219 -160.206 -71.436 58.3921 33.1529 -63.6804 -50.2578 -41.245 PRESSAVG: 3126400 59.9906 -53.8867 -30.1313 -53.8866 -27.4883 -1.76332 -30.1314 -1.76339 2.99188 GPRESSAVG: 3126400 59.1677 -54.9063 -30.0135 -54.6381 -28.5152 -2.71607 -30.0521 -2.64437 4.92463 TIMING: 3126400 CPU: 9945.56, 0.00318572/step Wall: 9945.56, 0.00318572/step, 1.65799 hours remaining, 240.738281 MB of memory in use. ENERGY: 3126400 3970.4443 20589.9678 14474.8808 227.5561 -203524.4936 2738.3867 0.0000 0.0000 52180.2622 -109342.9958 299.8807 -161523.2580 -108987.9651 299.7184 -21.4332 8.3413 761849.6678 11.8314 11.8590 PRESSURE: 3126600 53.8318 -52.6385 -107.011 -52.6396 114.854 -134.732 -107.01 -134.732 150.688 GPRESSURE: 3126600 120.185 -64.6518 -88.7306 -81.1858 189.664 -149.475 -68.7797 -177.433 94.6959 PRESSAVG: 3126600 25.4369 3.14317 -15.3598 3.1431 -1.98655 -94.5422 -15.3597 -94.5422 -1.27629 GPRESSAVG: 3126600 25.5512 3.13465 -14.832 0.627399 -1.19719 -95.9709 -17.4877 -95.3582 -2.07499 TIMING: 3126600 CPU: 9946.2, 0.00318257/step Wall: 9946.2, 0.00318257/step, 1.65618 hours remaining, 240.738281 MB of memory in use. ENERGY: 3126600 3954.8779 20440.8599 14434.0954 220.6632 -203479.0672 2673.9383 0.0000 0.0000 52137.2903 -109617.3422 299.6337 -161754.6325 -109249.9993 299.5913 106.4582 134.8484 761738.0432 7.3914 7.4264 PRESSURE: 3126800 -29.7759 -104.685 -54.35 -104.686 177.553 -14.412 -54.3507 -14.4114 -214.878 GPRESSURE: 3126800 37.0579 -85.9504 -51.449 -53.6285 133.492 93.5716 -153.901 176.297 -165.568 PRESSAVG: 3126800 30.7025 -5.23976 -19.5183 -5.23976 -18.7401 -64.6616 -19.5182 -64.6615 -11.5434 GPRESSAVG: 3126800 31.3538 -4.2368 -20.0486 -3.55218 -20.3739 -64.0598 -17.5933 -61.712 -10.6392 TIMING: 3126800 CPU: 9946.84, 0.00319607/step Wall: 9946.84, 0.00319607/step, 1.66302 hours remaining, 240.738281 MB of memory in use. ENERGY: 3126800 3927.7914 20637.4637 14382.0727 249.1605 -203672.9204 2603.1827 0.0000 0.0000 52034.1925 -109839.0570 299.0412 -161873.2495 -109481.1535 298.9591 -22.3671 1.6608 761225.6633 0.1397 0.1136 PRESSURE: 3127000 18.4249 25.3646 97.7332 25.3642 -122.154 32.0918 97.7337 32.0915 -339.149 GPRESSURE: 3127000 -0.258302 -5.88314 106.002 24.9896 -130.76 29.0923 110.616 5.18391 -228.754 PRESSAVG: 3127000 10.2005 -14.9607 22.2009 -14.9608 15.9888 -19.8904 22.2008 -19.8905 28.3443 GPRESSAVG: 3127000 8.93022 -15.4818 22.1801 -15.2433 18.1603 -20.6678 22.5199 -20.0277 27.9962 TIMING: 3127000 CPU: 9947.47, 0.00316837/step Wall: 9947.47, 0.00316837/step, 1.64843 hours remaining, 240.738281 MB of memory in use. ENERGY: 3127000 3969.8705 20527.8266 14428.6131 226.7905 -203475.3574 2555.2995 0.0000 0.0000 51836.5995 -109930.3579 297.9056 -161766.9573 -109576.6257 298.7559 -147.6260 -119.9243 760633.8562 18.1779 18.3622 PRESSURE: 3127200 -170.956 -105.615 25.0151 -105.615 -402.011 46.3941 25.0155 46.3935 -11.7134 GPRESSURE: 3127200 -173.84 -1.53858 141.247 -145.076 -339.974 15.6723 4.23604 -2.6501 27.4358 PRESSAVG: 3127200 39.9959 8.94206 -15.2011 8.94206 -21.0052 -28.8221 -15.2011 -28.822 -2.62338 GPRESSAVG: 3127200 41.6617 10.1694 -13.9083 8.79179 -21.2716 -26.2867 -15.1018 -32.2058 -3.38039 TIMING: 3127200 CPU: 9948.11, 0.00317492/step Wall: 9948.11, 0.00317492/step, 1.65167 hours remaining, 240.738281 MB of memory in use. ENERGY: 3127200 3993.3841 20268.9122 14381.5905 253.4862 -203501.2983 2637.9015 0.0000 0.0000 52118.8287 -109847.1953 299.5276 -161966.0239 -109477.9162 298.3473 -194.8933 -162.1260 760737.9006 5.4558 5.6699 PRESSURE: 3127400 67.4365 306.994 282.891 306.993 -87.9324 -101.606 282.89 -101.606 -283.18 GPRESSURE: 3127400 25.7679 204.934 240.665 202.246 -59.9089 -90.978 118.129 -10.1855 -182.013 PRESSAVG: 3127400 18.0235 22.0461 23.5679 22.0461 -12.9422 -20.5543 23.5679 -20.5543 8.93093 GPRESSAVG: 3127400 16.9067 20.9684 21.6436 22.327 -11.365 -21.0969 23.4233 -18.7319 9.03811 TIMING: 3127400 CPU: 9948.74, 0.00317/step Wall: 9948.74, 0.00317/step, 1.64893 hours remaining, 240.738281 MB of memory in use. ENERGY: 3127400 3983.1144 20464.8616 14467.8866 248.4237 -203436.2030 2479.0240 0.0000 0.0000 52061.7319 -109731.1608 299.1995 -161792.8927 -109376.9446 298.6435 -101.2253 -72.0513 760842.2175 4.6707 4.8599 PRESSURE: 3127600 40.4029 -166.977 71.8059 -166.977 159.004 145.562 71.8064 145.563 448.896 GPRESSURE: 3127600 43.7565 -66.4633 97.5464 -76.7536 256.932 126.851 75.1614 105.069 429.062 PRESSAVG: 3127600 -4.29267 -13.9064 15.8434 -13.9064 -4.77238 7.71443 15.8434 7.71443 -17.2943 GPRESSAVG: 3127600 -5.34334 -15.9817 16.0556 -13.8974 -4.88972 6.74579 15.0553 6.26453 -16.0988 TIMING: 3127600 CPU: 9949.38, 0.00317906/step Wall: 9949.38, 0.00317906/step, 1.65347 hours remaining, 240.738281 MB of memory in use. ENERGY: 3127600 4009.9084 20498.2023 14368.3693 239.1639 -203549.4990 2700.6958 0.0000 0.0000 51990.2489 -109742.9104 298.7887 -161733.1593 -109387.7839 298.7555 216.1010 243.2501 761349.2560 -8.7864 -8.7773 PRESSURE: 3127800 -233.51 -168.416 122.044 -168.416 120.49 133.183 122.044 133.183 -282.315 GPRESSURE: 3127800 -118.497 -224.296 154.548 -107.714 62.4328 174.663 89.6868 202.468 -245.636 PRESSAVG: 3127800 -11.6071 22.8895 30.1574 22.8894 -30.074 47.2143 30.1575 47.2143 30.3852 GPRESSAVG: 3127800 -9.49458 23.8729 30.9867 22.0403 -31.6202 47.1788 30.8023 49.9715 30.1689 TIMING: 3127800 CPU: 9950.01, 0.00318085/step Wall: 9950.01, 0.00318085/step, 1.65422 hours remaining, 240.738281 MB of memory in use. ENERGY: 3127800 3975.3088 20602.0141 14382.5385 232.3925 -203866.8093 2826.4953 0.0000 0.0000 52048.8255 -109799.2346 299.1253 -161848.0601 -109441.1871 298.9414 -131.7785 -100.5666 760771.0049 -3.7653 -3.6486 PRESSURE: 3128000 -76.1198 -14.8259 -160.632 -14.8266 7.06804 62.2821 -160.634 62.2812 -433.704 GPRESSURE: 3128000 -112.549 55.0196 -158.428 -14.6792 48.9461 92.8083 -6.34869 62.8111 -361.543 PRESSAVG: 3128000 -23.1992 8.30623 8.39707 8.30621 21.1049 37.815 8.39717 37.8151 -9.05007 GPRESSAVG: 3128000 -23.9237 8.2106 8.70715 11.0703 21.5171 37.4855 9.00112 38.5758 -8.90655 TIMING: 3128000 CPU: 9950.65, 0.00315549/step Wall: 9950.65, 0.00315549/step, 1.64085 hours remaining, 240.738281 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: 3128000 3963.7018 20387.4906 14479.8219 239.8469 -203251.2212 2573.6632 0.0000 0.0000 51941.0506 -109665.6462 298.5059 -161606.6968 -109296.9802 299.1964 -167.5852 -141.7154 760801.1688 -3.7148 -3.7711 PRESSURE: 3128200 -632.446 -18.6134 -197.588 -18.6143 -555.539 -129.308 -197.588 -129.309 -31.2268 GPRESSURE: 3128200 -546.522 -16.1369 -204.494 -28.4696 -518.579 -87.9205 -191.314 -231.341 -52.8207 PRESSAVG: 3128200 -57.3349 27.7341 -14.7697 27.734 32.5852 -9.98141 -14.7698 -9.98143 -14.7274 GPRESSAVG: 3128200 -57.2669 28.461 -16.8316 26.2836 33.8805 -8.75548 -15.6524 -13.183 -15.7103 TIMING: 3128200 CPU: 9951.28, 0.00318895/step Wall: 9951.28, 0.00318895/step, 1.65807 hours remaining, 240.738281 MB of memory in use. ENERGY: 3128200 4026.3028 20385.5130 14438.2972 228.4596 -203160.5851 2534.7651 0.0000 0.0000 51842.4218 -109704.8256 297.9391 -161547.2474 -109337.9805 299.0115 -406.4039 -372.6405 763470.8374 -13.1590 -13.0322 LDB: ============= START OF LOAD BALANCING ============== 9963.74 LDB: ============== END OF LOAD BALANCING =============== 9963.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9963.74 LDB: ============= START OF LOAD BALANCING ============== 9964.06 LDB: Largest compute 7070 load 0.037486 is 19.2% of average load 0.195303 LDB: Average compute 0.004400 is 2.3% of average load 0.195303 LDB: TIME 9964.07 LOAD: AVG 0.195303 MAX 0.21702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.797 MB LDB: TIME 9964.07 LOAD: AVG 0.195303 MAX 0.21702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.004 MB LDB: TIME 9964.07 LOAD: AVG 0.195303 MAX 0.21702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.004 MB LDB: ============== END OF LOAD BALANCING =============== 9964.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9964.07 PRESSURE: 3128400 74.7052 76.0882 24.2552 76.089 -285.907 -143.109 24.2559 -143.109 -271.995 GPRESSURE: 3128400 104.51 33.4234 -28.6458 57.0088 -275.939 -64.8659 124.673 -30.5333 -225.106 PRESSAVG: 3128400 -23.0218 -3.11734 8.17239 -3.1173 3.8425 22.7887 8.17238 22.7886 -6.71822 GPRESSAVG: 3128400 -23.4138 -4.41449 9.89628 -4.82383 2.6598 20.6502 8.28402 28.1061 -6.21181 TIMING: 3128400 CPU: 9951.94, 0.00327195/step Wall: 9951.94, 0.00327195/step, 1.70105 hours remaining, 239.324219 MB of memory in use. ENERGY: 3128400 4021.1140 20485.9517 14401.0310 219.2095 -203290.2378 2516.7445 0.0000 0.0000 51921.5873 -109724.5997 298.3941 -161646.1870 -109367.7339 298.8527 -161.0655 -132.1783 762934.8238 -8.6325 -8.9886 PRESSURE: 3128600 -171.44 41.5653 -183.37 41.5659 106.89 -145.313 -183.371 -145.313 193.4 GPRESSURE: 3128600 -127.046 104.972 -139.935 49.4357 16.7841 -112.435 -206.151 -110.637 315.814 PRESSAVG: 3128600 -2.31578 -17.9333 16.8991 -17.9334 4.63646 -13.9331 16.8991 -13.9331 8.98514 GPRESSAVG: 3128600 -1.56175 -15.9629 17.2365 -16.1779 2.73773 -11.5442 19.1541 -18.8893 10.1022 TIMING: 3128600 CPU: 9952.57, 0.00318027/step Wall: 9952.57, 0.00318027/step, 1.65321 hours remaining, 239.324219 MB of memory in use. ENERGY: 3128600 3970.7570 20416.2365 14392.4354 233.7359 -203355.6675 2617.6126 0.0000 0.0000 51918.2417 -109806.6484 298.3748 -161724.8901 -109439.0000 298.2745 42.9500 68.5174 761528.1130 3.7686 3.7594 PRESSURE: 3128800 -51.1539 112.481 -64.9041 112.481 -11.415 103.489 -64.9049 103.488 -252.03 GPRESSURE: 3128800 -12.6248 102.48 -71.1931 205.93 80.9749 82.7771 -64.9437 -46.4642 -296.382 PRESSAVG: 3128800 -60.0715 -16.7203 7.99137 -16.7203 75.9439 31.0311 7.99141 31.0311 12.0557 GPRESSAVG: 3128800 -61.3719 -17.0489 7.22663 -16.8813 78.461 29.5054 7.51863 31.7571 11.0453 TIMING: 3128800 CPU: 9953.21, 0.00318711/step Wall: 9953.21, 0.00318711/step, 1.65659 hours remaining, 239.324219 MB of memory in use. ENERGY: 3128800 3908.6230 20311.2838 14395.6680 229.1451 -203274.6497 2426.7962 0.0000 0.0000 52089.4992 -109913.6344 299.3591 -162003.1336 -109547.2810 298.5401 -104.8664 -76.0107 761327.8306 9.3094 9.3781 PRESSURE: 3129000 92.1589 36.5506 -9.36616 36.55 317.834 -38.699 -9.36683 -38.6995 -106.909 GPRESSURE: 3129000 80.4947 -74.1744 -4.02815 41.9768 282.037 -32.8657 47.7462 -191.307 16.3537 PRESSAVG: 3129000 12.1207 -8.82047 -27.0753 -8.82043 -23.1793 5.83292 -27.0753 5.83292 22.4787 GPRESSAVG: 3129000 12.5132 -8.66161 -26.7905 -8.62053 -23.428 7.78745 -28.5453 5.78153 22.1847 TIMING: 3129000 CPU: 9953.85, 0.00317528/step Wall: 9953.85, 0.00317528/step, 1.65026 hours remaining, 239.324219 MB of memory in use. ENERGY: 3129000 3892.8751 20382.5158 14403.7239 239.8415 -203345.1396 2460.7816 0.0000 0.0000 51961.9452 -110003.4565 298.6260 -161965.4017 -109647.9058 297.8186 101.0280 126.2951 760443.5176 3.8067 3.7566 PRESSURE: 3129200 -91.6948 29.2903 58.4796 29.2907 -101.068 -64.3727 58.479 -64.3723 -167.668 GPRESSURE: 3129200 -97.7206 104.747 -24.1074 -119.724 -51.3749 -64.8745 98.2863 28.9358 -125.434 PRESSAVG: 3129200 1.24137 -55.8641 3.05144 -55.8641 -7.85062 -20.3965 3.05148 -20.3965 -0.0493556 GPRESSAVG: 3129200 0.910025 -55.29 2.14808 -56.1295 -8.43182 -20.7702 1.40798 -21.3232 0.897621 TIMING: 3129200 CPU: 9954.48, 0.00316356/step Wall: 9954.48, 0.00316356/step, 1.64399 hours remaining, 239.324219 MB of memory in use. ENERGY: 3129200 4001.7381 20334.5855 14516.4356 229.9478 -203518.9350 2546.2236 0.0000 0.0000 51882.0202 -110007.9842 298.1667 -161890.0044 -109647.1542 297.9750 -120.1436 -91.5099 760761.7243 -2.2195 -2.2081 PRESSURE: 3129400 -32.9631 19.5077 -70.3029 19.507 -219.673 24.5469 -70.3024 24.5475 -170.115 GPRESSURE: 3129400 -20.8595 50.8326 -104.272 77.5419 -168.696 9.17771 -55.2559 85.9042 -129.161 PRESSAVG: 3129400 -26.7463 -49.0681 -21.9604 -49.0681 57.7203 -19.7927 -21.9604 -19.7927 -4.50415 GPRESSAVG: 3129400 -26.2212 -48.7301 -20.6441 -47.7651 58.5444 -17.9536 -20.2556 -19.4284 -5.2372 TIMING: 3129400 CPU: 9955.12, 0.00318689/step Wall: 9955.12, 0.00318689/step, 1.65594 hours remaining, 239.324219 MB of memory in use. ENERGY: 3129400 3989.4204 20448.0248 14411.2063 256.8045 -203410.9660 2179.8249 0.0000 0.0000 52014.2528 -110111.4323 298.9266 -162125.6851 -109751.8691 297.8434 -140.9170 -106.2389 760465.1099 8.8233 9.0287 PRESSURE: 3129600 -251.088 -29.1114 61.1701 -29.1122 -122.39 125.843 61.1706 125.844 -393.932 GPRESSURE: 3129600 -145.405 32.1485 47.9611 43.1424 -152.024 87.9001 -2.25906 98.8532 -380.78 PRESSAVG: 3129600 -9.11116 -14.9287 26.868 -14.9287 30.6309 28.2178 26.868 28.2178 4.48362 GPRESSAVG: 3129600 -8.58339 -15.5383 27.28 -14.9153 30.0224 26.1244 25.3952 29.3707 4.3281 TIMING: 3129600 CPU: 9955.75, 0.00318227/step Wall: 9955.75, 0.00318227/step, 1.65336 hours remaining, 239.324219 MB of memory in use. ENERGY: 3129600 4027.2750 20487.0309 14388.6565 243.9362 -203632.9975 2535.4053 0.0000 0.0000 52022.5519 -109928.1419 298.9743 -161950.6937 -109576.3580 298.2825 -255.8032 -226.0695 762503.7078 8.6678 8.5890 PRESSURE: 3129800 -35.3343 -65.8664 -20.5689 -65.8664 45.2807 -129.626 -20.5681 -129.626 119.011 GPRESSURE: 3129800 26.9374 -48.1544 63.0383 -79.4762 58.702 -155.708 13.2285 -95.6906 118.349 PRESSAVG: 3129800 -20.0106 15.6498 -32.368 15.6498 21.3146 17.2939 -32.3681 17.2939 -5.75341 GPRESSAVG: 3129800 -20.9986 15.221 -32.0706 15.2182 22.5921 16.5345 -32.3354 16.1329 -6.02513 TIMING: 3129800 CPU: 9956.39, 0.00316667/step Wall: 9956.39, 0.00316667/step, 1.64509 hours remaining, 239.324219 MB of memory in use. ENERGY: 3129800 4003.4305 20418.9555 14433.8005 255.8461 -203765.0085 2714.8672 0.0000 0.0000 52075.9510 -109862.1578 299.2812 -161938.1087 -109483.1342 298.1947 42.9858 67.9961 761004.5293 -1.4831 -1.4772 PRESSURE: 3130000 -289.647 7.46898 317.32 7.46882 71.0861 -220.439 317.32 -220.44 -243.06 GPRESSURE: 3130000 -190.797 96.1234 267.82 111.178 61.5519 -217.907 307.829 -162.034 -238.698 PRESSAVG: 3130000 51.9581 -24.8943 -10.4542 -24.8942 -23.6852 -10.0526 -10.4542 -10.0526 -12.6659 GPRESSAVG: 3130000 51.614 -24.7225 -10.5456 -24.8606 -24.1147 -8.95727 -8.88879 -7.16335 -11.9947 TIMING: 3130000 CPU: 9957.02, 0.00319342/step Wall: 9957.02, 0.00319342/step, 1.6588 hours remaining, 239.324219 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: 3130000 3993.0698 20553.2594 14479.6719 243.4480 -203466.0202 2403.6120 0.0000 0.0000 52189.2401 -109603.7191 299.9323 -161792.9592 -109244.4628 298.6268 -153.8736 -122.6476 761119.1238 5.2023 5.1682 PRESSURE: 3130200 -247.21 -234.092 362.896 -234.092 -296.896 53.1809 362.896 53.1801 170.195 GPRESSURE: 3130200 -256.168 -256.576 169.153 -229.297 -236.671 95.5956 374.976 117.761 181.879 PRESSAVG: 3130200 -41.2746 -8.71568 20.0273 -8.71572 34.1909 -23.2149 20.0273 -23.2149 -24.6042 GPRESSAVG: 3130200 -40.5544 -12.1072 19.2433 -8.05787 33.5067 -24.2696 16.9828 -24.5291 -25.2751 TIMING: 3130200 CPU: 9957.66, 0.00317953/step Wall: 9957.66, 0.00317953/step, 1.65141 hours remaining, 239.324219 MB of memory in use. ENERGY: 3130200 3963.3043 20574.7112 14404.9085 262.0494 -203265.1010 2371.3781 0.0000 0.0000 51981.9551 -109706.7945 298.7410 -161688.7496 -109354.9093 298.9813 -124.6369 -103.6535 761121.9946 -10.5626 -10.7743 PRESSURE: 3130400 56.6821 112.662 221.153 112.662 141.303 -230.599 221.153 -230.599 75.6794 GPRESSURE: 3130400 72.3706 144.105 201.678 29.2964 162.107 -230.923 176.46 -371.593 104.775 PRESSAVG: 3130400 -23.6144 -30.3805 2.35988 -30.3805 21.3431 -20.9913 2.35992 -20.9913 27.5623 GPRESSAVG: 3130400 -24.0865 -27.749 2.77542 -32.371 21.7175 -18.8104 3.00607 -24.0546 27.5419 TIMING: 3130400 CPU: 9958.3, 0.00318338/step Wall: 9958.3, 0.00318338/step, 1.65323 hours remaining, 239.324219 MB of memory in use. ENERGY: 3130400 4031.8598 20552.2688 14449.3839 237.6421 -203465.1193 2626.9722 0.0000 0.0000 51942.0535 -109624.9388 298.5117 -161566.9924 -109261.6917 299.1392 91.2214 113.0843 760891.7706 8.4303 8.3909 PRESSURE: 3130600 -273.047 -209.426 -116.991 -209.426 -334.259 194.046 -116.991 194.048 -201.46 GPRESSURE: 3130600 -243.72 -91.5401 -82.0932 -110.35 -274.895 139.981 -104.341 17.4832 -224.723 PRESSAVG: 3130600 -33.6268 20.8533 28.6626 20.8533 39.4047 -13.7098 28.6627 -13.7097 -7.43054 GPRESSAVG: 3130600 -34.4958 22.1585 27.7044 21.6397 39.8883 -14.9992 31.3899 -12.5417 -7.58201 TIMING: 3130600 CPU: 9958.94, 0.00319473/step Wall: 9958.94, 0.00319473/step, 1.65895 hours remaining, 239.324219 MB of memory in use. ENERGY: 3130600 4027.6588 20637.7577 14423.3104 255.5856 -203380.0865 2305.0044 0.0000 0.0000 52390.5937 -109340.1758 301.0895 -161730.7695 -108973.7974 299.6524 -269.5885 -247.7793 760526.3946 -0.5509 -0.7298 PRESSURE: 3130800 -13.4327 11.9592 -269.08 11.9594 -547.169 -121.059 -269.08 -121.06 95.7439 GPRESSURE: 3130800 -14.4628 70.8376 -275.055 85.7804 -482.599 -119.697 -269.599 -90.438 121.14 PRESSAVG: 3130800 25.4316 7.81666 3.22793 7.81671 4.39763 -25.6539 3.22796 -25.6539 0.934418 GPRESSAVG: 3130800 25.9293 7.6371 5.18458 6.77552 3.03708 -26.2885 -0.0563144 -25.4686 2.11723 TIMING: 3130800 CPU: 9959.58, 0.00320373/step Wall: 9959.58, 0.00320373/step, 1.66345 hours remaining, 239.324219 MB of memory in use. ENERGY: 3130800 3985.2078 20783.0122 14437.1278 248.5674 -203570.1066 2480.2364 0.0000 0.0000 52285.1680 -109350.7870 300.4836 -161635.9549 -109001.4390 300.3089 -154.9527 -125.3073 759264.0090 10.2546 10.3612 PRESSURE: 3131000 108.249 -108.604 -42.2431 -108.603 -242.981 -126.834 -42.243 -126.834 277.986 GPRESSURE: 3131000 131.506 -66.5834 73.6024 -12.9491 -202.139 -105.146 4.65527 -90.5908 298.069 PRESSAVG: 3131000 4.13016 -7.27294 -55.4878 -7.27296 -37.1477 5.35175 -55.4878 5.35175 10.7706 GPRESSAVG: 3131000 5.28835 -6.53171 -54.3911 -5.76412 -38.4371 5.60998 -55.6306 5.33376 10.4935 TIMING: 3131000 CPU: 9960.21, 0.00318826/step Wall: 9960.21, 0.00318826/step, 1.65524 hours remaining, 239.324219 MB of memory in use. ENERGY: 3131000 4007.9299 20551.5690 14419.0501 250.5193 -203305.6319 2454.4570 0.0000 0.0000 52146.6283 -109475.4783 299.6874 -161622.1066 -109120.2571 299.7953 47.7512 75.8121 761345.8334 -7.4156 -7.5517 PRESSURE: 3131200 -62.7783 26.1351 66.8779 26.1355 -162.881 368.042 66.8775 368.041 -486.246 GPRESSURE: 3131200 0.480692 -93.3726 23.7128 40.1513 -212.05 270.752 -86.3661 384.177 -414.77 PRESSAVG: 3131200 -12.6204 13.6159 -20.8562 13.6158 -16.7152 -54.6924 -20.8562 -54.6925 4.96004 GPRESSAVG: 3131200 -12.6531 12.9658 -22.8531 12.493 -16.1185 -55.0081 -20.322 -55.5109 4.65881 TIMING: 3131200 CPU: 9960.85, 0.00319018/step Wall: 9960.85, 0.00319018/step, 1.65606 hours remaining, 239.324219 MB of memory in use. ENERGY: 3131200 4078.6454 20603.4047 14477.0678 257.7211 -202779.3923 2183.7709 0.0000 0.0000 51995.0860 -109183.6963 298.8165 -161178.7823 -108829.2728 298.9533 -237.3017 -208.7798 759577.9612 -8.1252 -8.0376 PRESSURE: 3131400 68.5229 19.7511 215.864 19.7514 -273.881 -98.3379 215.864 -98.3375 -247.542 GPRESSURE: 3131400 29.7394 203.603 141.171 -75.4692 -184.354 -29.0065 158.764 -31.2573 -193.044 PRESSAVG: 3131400 -7.06946 -16.7413 -37.5901 -16.7413 1.6504 -43.5287 -37.59 -43.5286 -3.13781 GPRESSAVG: 3131400 -7.43439 -17.6347 -37.8941 -17.0365 3.08898 -43.121 -37.2486 -43.7704 -4.36616 TIMING: 3131400 CPU: 9961.49, 0.00318791/step Wall: 9961.49, 0.00318791/step, 1.6547 hours remaining, 239.324219 MB of memory in use. ENERGY: 3131400 3945.5035 20458.7500 14480.8858 246.0726 -202630.7940 2005.3884 0.0000 0.0000 52096.2501 -109397.9436 299.3979 -161494.1937 -109034.9362 299.8930 -150.9667 -115.8861 761390.0886 -2.8523 -2.9039 PRESSURE: 3131600 -299.603 18.6327 18.7192 18.6334 -80.3513 80.4335 18.719 80.4329 -154.353 GPRESSURE: 3131600 -266.07 112.735 -9.51543 -23.1935 -21.575 77.6809 -42.9395 155.298 -159.384 PRESSAVG: 3131600 -17.5162 28.1535 6.53901 28.1534 11.0686 -36.1876 6.53901 -36.1876 -12.5623 GPRESSAVG: 3131600 -17.5309 29.2685 7.15831 28.0838 11.1199 -36.4458 6.11051 -33.5409 -12.3605 TIMING: 3131600 CPU: 9962.12, 0.00316914/step Wall: 9962.12, 0.00316914/step, 1.64478 hours remaining, 239.324219 MB of memory in use. ENERGY: 3131600 3940.9972 20532.0898 14480.1505 269.3234 -202956.9043 2142.9210 0.0000 0.0000 51872.7794 -109718.6430 298.1136 -161591.4224 -109356.8575 298.8407 -178.1022 -149.0097 761086.6451 -6.3367 -6.2572 PRESSURE: 3131800 -74.5926 -82.2747 54.2759 -82.2745 -250.336 6.17911 54.2765 6.17999 -222.796 GPRESSURE: 3131800 -68.6179 76.0811 53.0871 -140.71 -211.726 26.1719 211.143 23.919 -190.631 PRESSAVG: 3131800 -15.7545 39.8488 -6.26936 39.8487 2.09236 37.2556 -6.2694 37.2555 16.633 GPRESSAVG: 3131800 -14.825 39.7089 -7.03982 38.8021 1.71595 37.386 -6.14297 35.485 16.4476 TIMING: 3131800 CPU: 9962.76, 0.0031776/step Wall: 9962.76, 0.0031776/step, 1.649 hours remaining, 239.324219 MB of memory in use. ENERGY: 3131800 4003.6677 20574.8078 14471.3379 240.2872 -203335.2823 2340.7283 0.0000 0.0000 51939.4694 -109764.9840 298.4968 -161704.4534 -109400.1768 298.8662 -182.5749 -156.9917 758860.1548 0.9903 1.1129 PRESSURE: 3132000 -430.925 154.302 -118.776 154.301 -616.375 210.688 -118.776 210.688 -71.6098 GPRESSURE: 3132000 -485.906 137.592 -173.838 140.535 -534.868 238.273 -55.048 280.526 -37.6314 PRESSAVG: 3132000 -11.7451 -19.0278 43.2072 -19.0278 -19.9028 18.1423 43.2072 18.1423 -22.3027 GPRESSAVG: 3132000 -13.6505 -18.6249 42.9362 -18.161 -19.3428 18.5504 45.5653 17.583 -21.3314 TIMING: 3132000 CPU: 9963.39, 0.0031688/step Wall: 9963.39, 0.0031688/step, 1.64425 hours remaining, 239.324219 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: 3132000 3988.3636 20581.8608 14490.4680 241.7560 -203136.7869 2145.2614 0.0000 0.0000 51990.6854 -109698.3917 298.7912 -161689.0771 -109334.2137 298.5146 -372.9700 -352.8018 760162.6969 -17.9835 -18.1082 PRESSURE: 3132200 -30.1619 69.9357 127.788 69.9367 -129.764 -138.312 127.787 -138.312 144.012 GPRESSURE: 3132200 -34.5985 11.4846 226.763 67.9833 -66.6279 -217.862 -46.1078 -32.7531 159.727 PRESSAVG: 3132200 8.02538 6.62588 -12.3751 6.62586 2.98839 -41.8128 -12.3751 -41.8129 -13.6342 GPRESSAVG: 3132200 8.67408 5.7575 -13.0328 9.1163 2.68736 -41.5729 -14.087 -43.4904 -13.828 TIMING: 3132200 CPU: 9964.03, 0.00317432/step Wall: 9964.03, 0.00317432/step, 1.64694 hours remaining, 239.324219 MB of memory in use. ENERGY: 3132200 3990.4520 20576.0904 14427.4259 242.2138 -203215.3768 2349.7648 0.0000 0.0000 52024.4736 -109604.9563 298.9854 -161629.4299 -109252.3731 299.2766 -5.3048 19.5003 760093.6008 -0.8735 -0.8222 LDB: ============= START OF LOAD BALANCING ============== 9976.48 LDB: ============== END OF LOAD BALANCING =============== 9976.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9976.48 LDB: ============= START OF LOAD BALANCING ============== 9976.8 LDB: Largest compute 7070 load 0.036191 is 18.5% of average load 0.195336 LDB: Average compute 0.004390 is 2.2% of average load 0.195336 LDB: TIME 9976.81 LOAD: AVG 0.195336 MAX 0.214663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 9976.81 LOAD: AVG 0.195336 MAX 0.214663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.035 MB LDB: TIME 9976.81 LOAD: AVG 0.195336 MAX 0.214663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.035 MB LDB: ============== END OF LOAD BALANCING =============== 9976.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9976.81 PRESSURE: 3132400 157.316 -234.842 -50.758 -234.843 -69.5933 -181.796 -50.7583 -181.795 71.9653 GPRESSURE: 3132400 130.119 -182.779 -101.05 -247.962 -29.4742 -109.238 8.55427 -103.145 155.034 PRESSAVG: 3132400 6.60527 -24.7067 9.27077 -24.7067 -12.5484 -46.5792 9.27079 -46.5792 0.769791 GPRESSAVG: 3132400 7.01263 -26.4147 9.94961 -23.8104 -13.6184 -49.8179 9.29319 -41.719 1.28914 TIMING: 3132400 CPU: 9964.68, 0.00325348/step Wall: 9964.68, 0.00325348/step, 1.68783 hours remaining, 239.835938 MB of memory in use. ENERGY: 3132400 3932.2088 20480.4461 14438.4081 261.3703 -203467.0815 2573.1887 0.0000 0.0000 52208.1394 -109573.3201 300.0409 -161781.4595 -109204.6691 299.6041 53.2293 85.2263 759751.6899 -1.7245 -1.7722 PRESSURE: 3132600 -233.254 -53.5129 -173.537 -53.5122 -189.957 62.4069 -173.536 62.4062 -230.66 GPRESSURE: 3132600 -251.412 65.1258 -218.343 -115.312 -180.002 75.3322 -29.9718 105.212 -127.576 PRESSAVG: 3132600 -40.149 -45.3815 6.01039 -45.3815 25.9708 -27.4898 6.01042 -27.4897 -3.83981 GPRESSAVG: 3132600 -40.7553 -43.1786 5.07712 -47.8034 27.6295 -25.9368 6.11602 -31.0635 -4.41045 TIMING: 3132600 CPU: 9965.31, 0.0031672/step Wall: 9965.31, 0.0031672/step, 1.6429 hours remaining, 239.835938 MB of memory in use. ENERGY: 3132600 3992.2399 20650.1039 14488.4012 243.1987 -203349.0647 2437.9387 0.0000 0.0000 51945.8368 -109591.3455 298.5334 -161537.1823 -109248.4399 298.9966 -217.9571 -186.3303 761611.7868 -6.0060 -5.8454 PRESSURE: 3132800 94.7679 -43.1125 -225.297 -43.1127 -17.5732 143.093 -225.296 143.093 83.1043 GPRESSURE: 3132800 170.27 -135.942 -196.936 -21.3349 19.4834 206.831 -195.456 180.573 74.951 PRESSAVG: 3132800 35.3136 12.235 -28.7122 12.235 -4.93952 -65.1765 -28.7122 -65.1765 7.14794 GPRESSAVG: 3132800 35.8927 10.6079 -27.1708 11.75 -5.33313 -61.8588 -27.892 -65.8786 7.25425 TIMING: 3132800 CPU: 9965.95, 0.00318476/step Wall: 9965.95, 0.00318476/step, 1.65183 hours remaining, 239.835938 MB of memory in use. ENERGY: 3132800 3977.2910 20297.3823 14530.2395 255.9891 -203365.0458 2355.6210 0.0000 0.0000 52275.0356 -109673.4873 300.4253 -161948.5229 -109312.6351 298.6585 53.4330 88.2347 760731.1761 12.5073 12.6046 PRESSURE: 3133000 -45.5731 -105.468 -145.677 -105.468 324.954 123.872 -145.678 123.871 160.131 GPRESSURE: 3133000 -21.163 -35.3385 -196.216 -114.122 365.976 103.518 -186.911 76.5737 175.05 PRESSAVG: 3133000 -11.0067 -25.1685 -5.88873 -25.1684 35.9331 -27.426 -5.88874 -27.4259 -4.18711 GPRESSAVG: 3133000 -10.535 -25.5735 -6.8912 -23.9833 35.8368 -29.4552 -7.25062 -24.8151 -4.62663 TIMING: 3133000 CPU: 9966.59, 0.00318345/step Wall: 9966.59, 0.00318345/step, 1.65097 hours remaining, 239.835938 MB of memory in use. ENERGY: 3133000 3928.0711 20603.8186 14548.6725 225.0871 -203513.2639 2556.1282 0.0000 0.0000 51793.4634 -109858.0230 297.6577 -161651.4863 -109507.3795 299.0833 146.5038 173.2874 761012.0429 6.9131 6.8917 PRESSURE: 3133200 -171.43 3.15322 -13.9499 3.15268 259.487 -41.2835 -13.9491 -41.2841 191.655 GPRESSURE: 3133200 -122.904 -71.4411 25.6577 12.0492 259.169 -41.7552 -12.6521 90.703 209.868 PRESSAVG: 3133200 11.5702 8.24249 -0.628671 8.24252 -19.5893 -36.0808 -0.628783 -36.0808 22.956 GPRESSAVG: 3133200 11.1455 9.77006 0.909447 8.52338 -19.7917 -35.9196 -0.591511 -37.6948 23.7204 TIMING: 3133200 CPU: 9967.22, 0.00318456/step Wall: 9967.22, 0.00318456/step, 1.65137 hours remaining, 239.835938 MB of memory in use. ENERGY: 3133200 3910.3881 20551.5345 14494.1347 244.0949 -202874.4209 2163.3650 0.0000 0.0000 51778.7802 -109732.1236 297.5734 -161510.9037 -109370.2177 298.1731 93.2371 115.3777 760202.9395 4.9790 5.0247 PRESSURE: 3133400 -121.081 -14.5794 -106.704 -14.5801 -100.917 -11.2462 -106.704 -11.2455 -122.09 GPRESSURE: 3133400 -72.132 46.5716 -16.6648 -50.5833 -149.645 -121.593 -89.8422 -18.3206 -38.4013 PRESSAVG: 3133400 -37.3362 4.60474 -33.0445 4.60461 26.6872 -66.9584 -33.0445 -66.9584 -0.939009 GPRESSAVG: 3133400 -37.6484 5.84578 -34.7331 3.13783 27.8405 -66.0231 -31.455 -66.1046 -1.28923 TIMING: 3133400 CPU: 9967.85, 0.0031605/step Wall: 9967.85, 0.0031605/step, 1.63872 hours remaining, 239.835938 MB of memory in use. ENERGY: 3133400 3964.8971 20560.2359 14394.5096 237.8689 -203536.3406 2648.0192 0.0000 0.0000 51852.6566 -109878.1532 297.9979 -161730.8098 -109520.6898 298.5049 -114.6960 -86.7262 761216.6469 -3.8627 -3.6990 PRESSURE: 3133600 -185.852 96.3818 279.95 96.3808 -63.0491 -228.743 279.949 -228.745 -579.527 GPRESSURE: 3133600 -121.247 18.6388 299.042 35.601 2.32361 -230.995 279.59 -136.661 -631.579 PRESSAVG: 3133600 4.47384 -6.85692 -24.5989 -6.8569 -50.9223 -38.0145 -24.5989 -38.0145 -8.0157 GPRESSAVG: 3133600 5.57302 -10.1975 -23.6977 -6.15358 -51.0871 -38.2244 -24.8277 -39.0184 -8.80917 TIMING: 3133600 CPU: 9968.49, 0.00315839/step Wall: 9968.49, 0.00315839/step, 1.63745 hours remaining, 239.835938 MB of memory in use. ENERGY: 3133600 4014.5594 20443.5201 14439.5676 239.6577 -203124.9827 2401.3252 0.0000 0.0000 51801.6354 -109784.7173 297.7047 -161586.3527 -109420.2314 298.1785 -276.1427 -250.1676 762676.0410 -18.1547 -18.1077 PRESSURE: 3133800 486.908 -0.383162 29.9416 -0.383021 -89.7484 126.843 29.9425 126.842 232.557 GPRESSURE: 3133800 503.07 86.8018 -24.0713 18.0399 10.8378 103.25 -35.5109 223.071 192.418 PRESSAVG: 3133800 -30.5553 -12.5019 21.7313 -12.5019 -15.4045 -30.5993 21.7312 -30.5993 -5.59612 GPRESSAVG: 3133800 -31.6424 -10.9532 19.9363 -12.9475 -15.9439 -33.4766 20.2121 -29.5165 -4.36466 TIMING: 3133800 CPU: 9969.12, 0.00315374/step Wall: 9969.12, 0.00315374/step, 1.63487 hours remaining, 239.835938 MB of memory in use. ENERGY: 3133800 4063.5704 20448.7336 14410.9097 233.4267 -203422.4490 2778.1723 0.0000 0.0000 51732.4905 -109755.1459 297.3073 -161487.6364 -109399.1152 298.1160 209.9058 235.4419 760784.3015 -17.1853 -17.3170 PRESSURE: 3134000 -7.4717 -81.0275 62.5002 -81.0277 273.644 -188.664 62.4997 -188.663 -123.144 GPRESSURE: 3134000 132.003 -155.675 -68.6611 -87.8202 239.36 -146.858 166.957 -99.8343 -144.957 PRESSAVG: 3134000 10.8144 4.26624 -27.937 4.26621 5.99796 -27.723 -27.9369 -27.7231 -5.17627 GPRESSAVG: 3134000 12.4232 4.86354 -26.3295 5.46663 6.54843 -27.6237 -26.3695 -27.7707 -6.67291 TIMING: 3134000 CPU: 9969.75, 0.00317247/step Wall: 9969.75, 0.00317247/step, 1.6444 hours remaining, 239.835938 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: 3134000 3981.0872 20505.5239 14446.6406 235.3027 -203338.2503 2506.0370 0.0000 0.0000 51999.7201 -109663.9388 298.8431 -161663.6589 -109306.5244 298.5518 47.6759 75.4686 760169.9117 3.8787 4.0996 PRESSURE: 3134200 56.173 193.927 -27.021 193.928 -69.6798 58.3615 -27.021 58.3607 -165.713 GPRESSURE: 3134200 53.3231 212.788 -42.9742 146.842 -44.7623 42.2451 -15.6756 32.0894 -93.7986 PRESSAVG: 3134200 16.8902 -36.9386 -56.465 -36.9387 4.284 -11.1494 -56.465 -11.1494 13.52 GPRESSAVG: 3134200 16.4909 -37.2641 -57.1997 -37.9251 4.6845 -10.3498 -55.5173 -11.7062 14.2543 TIMING: 3134200 CPU: 9970.39, 0.0032044/step Wall: 9970.39, 0.0032044/step, 1.66077 hours remaining, 239.835938 MB of memory in use. ENERGY: 3134200 4058.1346 20641.5527 14478.9897 227.8543 -203375.9106 2486.8347 0.0000 0.0000 51815.5912 -109666.9535 297.7849 -161482.5447 -109319.4942 298.8137 -59.7398 -28.4126 760624.5390 11.5648 11.8099 PRESSURE: 3134400 270.478 -221.072 -195.654 -221.072 -21.3961 -151.286 -195.654 -151.288 192.744 GPRESSURE: 3134400 226.384 -137.429 -123.478 -96.7715 69.2971 -52.0405 -156.301 -185.307 238.23 PRESSAVG: 3134400 0.407596 -7.347 -44.5543 -7.34704 31.461 -26.2617 -44.5543 -26.2618 -24.9644 GPRESSAVG: 3134400 0.228712 -6.48299 -43.899 -8.02698 32.6361 -26.2023 -45.3005 -25.3247 -25.8695 TIMING: 3134400 CPU: 9971.03, 0.00318691/step Wall: 9971.03, 0.00318691/step, 1.65153 hours remaining, 239.835938 MB of memory in use. ENERGY: 3134400 3980.5246 20576.7034 14487.6660 243.3897 -203786.6333 2793.9580 0.0000 0.0000 52022.2713 -109682.1203 298.9727 -161704.3916 -109328.9755 299.3466 147.2752 177.9704 760407.2973 2.3014 2.3317 PRESSURE: 3134600 -473.323 70.5462 177.241 70.546 -390.949 56.5945 177.241 56.5946 -514.176 GPRESSURE: 3134600 -498.179 27.875 121.659 66.812 -300.103 42.2117 174.587 80.0378 -487.224 PRESSAVG: 3134600 15.0473 -17.5412 4.65127 -17.5412 3.26259 19.2794 4.65132 19.2795 -19.6967 GPRESSAVG: 3134600 14.1578 -19.3393 5.38428 -18.2608 2.57469 18.5307 3.85347 18.4137 -17.8731 TIMING: 3134600 CPU: 9971.66, 0.00315935/step Wall: 9971.66, 0.00315935/step, 1.63707 hours remaining, 239.835938 MB of memory in use. ENERGY: 3134600 4059.6119 20616.3009 14517.7828 252.8870 -203075.8524 2036.0012 0.0000 0.0000 52051.1100 -109542.1586 299.1384 -161593.2686 -109184.9254 299.5173 -459.4825 -428.5021 761571.4276 -0.4623 -0.3802 PRESSURE: 3134800 -86.7762 66.3139 -125.698 66.3134 -441.294 -255.062 -125.699 -255.063 343.734 GPRESSURE: 3134800 -24.7628 48.2737 -86.1641 73.3747 -323.762 -74.293 -127.716 -244.944 279.436 PRESSAVG: 3134800 -35.8685 -24.9454 33.3221 -24.9454 23.9679 11.5145 33.3221 11.5145 -8.05156 GPRESSAVG: 3134800 -35.5818 -23.5752 33.785 -23.5849 24.764 12.0218 31.427 12.0506 -9.2607 TIMING: 3134800 CPU: 9972.29, 0.00314604/step Wall: 9972.29, 0.00314604/step, 1.63 hours remaining, 239.835938 MB of memory in use. ENERGY: 3134800 3999.1414 20718.2251 14372.9285 244.5066 -203542.4166 2657.2713 0.0000 0.0000 51994.8188 -109555.5250 298.8149 -161550.3437 -109196.7177 299.0727 -61.4455 -23.0299 761468.6961 -6.6507 -6.6928 PRESSURE: 3135000 294.061 87.3303 -213.793 87.3302 -255.708 228.397 -213.794 228.398 104.234 GPRESSURE: 3135000 247.155 52.3246 -128.623 -46.1483 -152.731 177.11 -86.7964 240.597 120.009 PRESSAVG: 3135000 42.4344 -16.9502 -7.27737 -16.9502 -22.838 -14.058 -7.27739 -14.058 -25.8808 GPRESSAVG: 3135000 42.1587 -18.0204 -8.94104 -17.0443 -23.5591 -14.5902 -4.40785 -13.7308 -24.9335 TIMING: 3135000 CPU: 9972.93, 0.00319603/step Wall: 9972.93, 0.00319603/step, 1.65572 hours remaining, 239.835938 MB of memory in use. ENERGY: 3135000 4019.2389 20753.1220 14516.3366 242.8634 -203588.6343 2692.9718 0.0000 0.0000 51950.2598 -109413.8417 298.5589 -161364.1016 -109060.6294 299.4422 47.5288 71.4776 761358.2487 -2.0948 -2.1113 PRESSURE: 3135200 -25.8616 -16.8417 130.127 -16.8413 403.687 -147.275 130.126 -147.276 4.83639 GPRESSURE: 3135200 37.2086 17.4578 132.262 25.4355 414.493 -183.891 94.176 -23.4933 25.1419 PRESSAVG: 3135200 25.4014 5.26294 -28.5233 5.2629 12.5595 36.2591 -28.5233 36.2591 28.9275 GPRESSAVG: 3135200 25.6904 6.7932 -27.3664 5.15155 12.7459 36.767 -29.0417 36.8008 28.6602 TIMING: 3135200 CPU: 9973.56, 0.0031722/step Wall: 9973.56, 0.0031722/step, 1.6432 hours remaining, 239.835938 MB of memory in use. ENERGY: 3135200 4011.2224 20574.3692 14467.1195 236.4397 -203590.6640 2854.3676 0.0000 0.0000 51953.4843 -109493.6612 298.5774 -161447.1455 -109135.7481 298.8429 127.5539 158.9478 761111.4762 22.2961 22.3655 PRESSURE: 3135400 -457 74.4095 162.739 74.4102 47.2194 -67.4048 162.739 -67.4048 -448.422 GPRESSURE: 3135400 -433.677 112.674 70.583 131.415 92.9724 -58.8525 142.949 -220.036 -453.152 PRESSAVG: 3135400 -75.5397 -23.9864 12.1999 -23.9864 36.2045 1.87667 12.1999 1.87667 -17.847 GPRESSAVG: 3135400 -76.6188 -27.3504 11.6394 -22.483 37.5961 2.03953 13.1976 2.17477 -17.7653 TIMING: 3135400 CPU: 9974.2, 0.00319635/step Wall: 9974.2, 0.00319635/step, 1.65553 hours remaining, 239.835938 MB of memory in use. ENERGY: 3135400 4023.0576 20733.3277 14498.0593 237.6472 -203061.8496 2195.1973 0.0000 0.0000 52088.3185 -109286.2420 299.3523 -161374.5605 -108923.1668 298.9923 -286.0675 -264.6191 762837.3569 -19.0607 -18.9293 PRESSURE: 3135600 -249.487 -69.0554 325.087 -69.0549 -79.8531 136.378 325.086 136.379 542.681 GPRESSURE: 3135600 -188.033 -80.7381 279.463 -181.49 -135.753 22.5512 319.482 95.4143 622.155 PRESSAVG: 3135600 -7.33286 7.28892 70.4353 7.28895 20.8189 23.1418 70.4353 23.1418 -3.06689 GPRESSAVG: 3135600 -6.74844 9.39722 70.0933 5.16082 19.8914 23.4509 71.8137 23.802 -2.60483 TIMING: 3135600 CPU: 9974.84, 0.00317649/step Wall: 9974.84, 0.00317649/step, 1.64507 hours remaining, 239.835938 MB of memory in use. ENERGY: 3135600 3924.9648 20506.7949 14463.5363 257.4853 -203362.1430 2363.9721 0.0000 0.0000 52401.3889 -109444.0007 301.1515 -161845.3896 -109070.0365 298.9624 71.1136 99.4560 761669.0405 3.4731 3.5127 PRESSURE: 3135800 -110.018 48.3893 -133.646 48.3893 269.673 -150.211 -133.645 -150.213 -186.169 GPRESSURE: 3135800 -126.255 -108.134 -65.25 11.8406 301.866 -202.4 -160.179 -96.836 -119.419 PRESSAVG: 3135800 -35.5584 -10.5315 39.8005 -10.5315 39.0182 -19.4077 39.8005 -19.4076 -22.2518 GPRESSAVG: 3135800 -35.4154 -11.6785 41.3646 -9.32606 39.5808 -21.1029 35.8406 -19.2003 -22.9603 TIMING: 3135800 CPU: 9975.47, 0.00316355/step Wall: 9975.47, 0.00316355/step, 1.63819 hours remaining, 239.835938 MB of memory in use. ENERGY: 3135800 4007.0940 20524.7532 14525.7836 252.7451 -203291.8982 2452.9568 0.0000 0.0000 51979.8513 -109548.7142 298.7289 -161528.5655 -109190.9952 299.2480 -8.8380 18.7305 760169.9208 -6.2640 -6.2650 PRESSURE: 3136000 21.5682 -81.3258 176.254 -81.3255 -51.1083 -177.148 176.255 -177.148 -99.5583 GPRESSURE: 3136000 8.61969 -224.985 117.815 -225.384 32.1508 -136.778 122.942 -121.525 -89.7544 PRESSAVG: 3136000 -19.3521 -7.10624 4.49411 -7.10627 -1.46084 -21.5971 4.49408 -21.597 -2.03374 GPRESSAVG: 3136000 -19.7097 -7.54001 2.53573 -7.86865 -1.39429 -20.0635 5.08358 -23.2029 -2.20125 TIMING: 3136000 CPU: 9976.11, 0.00317909/step Wall: 9976.11, 0.00317909/step, 1.64606 hours remaining, 239.835938 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: 3136000 3950.6257 20573.1373 14433.5102 239.0789 -203273.7866 2486.2109 0.0000 0.0000 51987.6410 -109603.5827 298.7737 -161591.2236 -109233.9093 299.3617 -43.0328 -16.3280 761478.8452 -7.6156 -7.7684 PRESSURE: 3136200 -334.559 177.434 88.6067 177.434 -106.711 41.3827 88.6063 41.3826 -180.199 GPRESSURE: 3136200 -253.546 191.811 124.919 130.4 -59.4099 74.4062 5.95275 -6.62654 -211.048 PRESSAVG: 3136200 22.3001 -8.67328 11.2618 -8.67329 -27.5894 0.351733 11.2618 0.351761 -0.241019 GPRESSAVG: 3136200 21.6561 -8.07556 12.7942 -9.85173 -27.1422 0.534395 11.238 1.0666 0.00635058 TIMING: 3136200 CPU: 9976.74, 0.00317415/step Wall: 9976.74, 0.00317415/step, 1.64333 hours remaining, 239.835938 MB of memory in use. ENERGY: 3136200 3965.7130 20505.8649 14446.3752 252.8789 -203065.9580 2059.3074 0.0000 0.0000 52047.5790 -109788.2397 299.1182 -161835.8186 -109420.6312 298.6240 -207.1563 -174.6682 760998.2711 -1.8434 -1.8266 LDB: ============= START OF LOAD BALANCING ============== 9989.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9989.2 LDB: =============== DONE WITH MIGRATION ================ 9989.2 LDB: ============= START OF LOAD BALANCING ============== 9989.52 LDB: Largest compute 7034 load 0.037331 is 19.1% of average load 0.195380 LDB: Average compute 0.004394 is 2.2% of average load 0.195380 LDB: TIME 9989.52 LOAD: AVG 0.19538 MAX 0.213193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 9989.52 LOAD: AVG 0.19538 MAX 0.213193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: TIME 9989.52 LOAD: AVG 0.19538 MAX 0.213193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: ============== END OF LOAD BALANCING =============== 9989.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9989.53 PRESSURE: 3136400 211.612 -360.239 99.9941 -360.239 -388.552 -110.153 99.9946 -110.152 -282.392 GPRESSURE: 3136400 227.287 -356.089 57.6522 -273.015 -389.26 -160.142 167.555 -212.143 -213.003 PRESSAVG: 3136400 -13.9784 -20.676 24.106 -20.6759 60.4974 -41.6105 24.106 -41.6105 16.0819 GPRESSAVG: 3136400 -14.0909 -18.5738 22.591 -18.7962 60.4047 -42.974 26.3795 -39.217 16.1004 TIMING: 3136400 CPU: 9977.39, 0.00325415/step Wall: 9977.39, 0.00325415/step, 1.68456 hours remaining, 239.765625 MB of memory in use. ENERGY: 3136400 3985.8963 20603.7048 14417.3411 266.8994 -203012.4136 2291.1515 0.0000 0.0000 51970.4702 -109476.9502 298.6750 -161447.4205 -109115.1575 298.6200 -153.1105 -124.9920 761518.4130 20.8670 20.8047 PRESSURE: 3136600 -225.717 -81.131 56.576 -81.1312 17.1237 -123.636 56.5755 -123.635 -652.413 GPRESSURE: 3136600 -185.12 -60.0668 79.5777 -0.371402 45.9591 -33.5597 33.4666 -76.5776 -638.04 PRESSAVG: 3136600 8.44759 2.99645 -21.4258 2.99643 6.20168 -1.67519 -21.4258 -1.67525 28.6748 GPRESSAVG: 3136600 9.64146 1.29465 -20.1438 1.2268 5.41513 0.67046 -23.6879 -3.94504 28.5931 TIMING: 3136600 CPU: 9978.03, 0.00317612/step Wall: 9978.03, 0.00317612/step, 1.64399 hours remaining, 239.968750 MB of memory in use. ENERGY: 3136600 4021.2618 20482.1343 14420.9328 219.7933 -203362.4660 2464.2564 0.0000 0.0000 52015.8628 -109738.2246 298.9359 -161754.0874 -109372.2415 299.0720 -287.0019 -259.0668 760647.7875 14.4414 14.5499 PRESSURE: 3136800 -196.435 100.507 231.757 100.507 -24.6798 22.5539 231.757 22.5541 348.741 GPRESSURE: 3136800 -120.042 105.345 196.095 107.196 -17.817 10.8464 84.7329 -32.3431 361.132 PRESSAVG: 3136800 -41.5698 -1.06756 8.85318 -1.06752 34.2552 -22.9317 8.85316 -22.9316 10.6826 GPRESSAVG: 3136800 -41.4705 -2.71908 6.84137 0.186325 34.5097 -24.4779 11.0448 -22.7708 11.3206 TIMING: 3136800 CPU: 9978.67, 0.00318775/step Wall: 9978.67, 0.00318775/step, 1.64984 hours remaining, 239.968750 MB of memory in use. ENERGY: 3136800 3910.1161 20560.2851 14463.7900 237.6528 -203524.4150 2440.0975 0.0000 0.0000 52146.7643 -109765.7093 299.6882 -161912.4735 -109399.5696 298.5875 42.5421 74.4243 760343.2193 1.1227 1.4532 PRESSURE: 3137000 -461.473 -34.3323 -7.27811 -34.3319 23.3498 -123.291 -7.27751 -123.291 -215.716 GPRESSURE: 3137000 -444.137 -87.769 -58.1954 16.0257 22.321 -71.8057 -58.7317 -32.6447 -175.494 PRESSAVG: 3137000 -6.87501 -55.327 9.25345 -55.3271 27.7334 -19.7007 9.25349 -19.7007 -16.8972 GPRESSAVG: 3137000 -7.69436 -51.9438 10.2919 -55.3827 26.7094 -17.931 7.75651 -19.7935 -15.3954 TIMING: 3137000 CPU: 9979.31, 0.00319562/step Wall: 9979.31, 0.00319562/step, 1.65374 hours remaining, 239.968750 MB of memory in use. ENERGY: 3137000 3935.4499 20712.6664 14359.5844 237.2459 -203090.1553 2345.7946 0.0000 0.0000 52003.2449 -109496.1693 298.8634 -161499.4142 -109138.3944 298.7675 -217.9464 -199.1033 762031.5459 1.3204 1.2066 PRESSURE: 3137200 39.1199 201.876 233.387 201.875 92.6167 -193.113 233.387 -193.112 -157.731 GPRESSURE: 3137200 44.9121 195.185 279.565 227.007 126.677 -180.187 241.561 -140.87 -103.321 PRESSAVG: 3137200 -34.2108 -6.28657 5.95874 -6.28661 15.399 -1.78021 5.95877 -1.78028 -6.48811 GPRESSAVG: 3137200 -33.8045 -7.9603 7.56781 -4.97114 17.1291 -2.9622 7.03243 -1.90256 -8.08392 TIMING: 3137200 CPU: 9979.95, 0.00323059/step Wall: 9979.95, 0.00323059/step, 1.67165 hours remaining, 239.968750 MB of memory in use. ENERGY: 3137200 4016.2260 20699.9838 14459.5509 248.9342 -203520.9228 2541.8752 0.0000 0.0000 52132.4152 -109421.9374 299.6057 -161554.3526 -109063.3740 299.1839 -8.6647 22.7560 760005.4382 -8.4333 -8.2531 PRESSURE: 3137400 55.5303 -228.27 -142.709 -228.27 130.287 -8.58647 -142.709 -8.58595 446.532 GPRESSURE: 3137400 177.579 -227.974 -156.253 -149.239 125.02 -36.8736 -161.575 -36.3639 427.527 PRESSAVG: 3137400 -50.1255 -26.6805 46.0759 -26.6805 24.3088 -48.5577 46.0759 -48.5576 3.79449 GPRESSAVG: 3137400 -50.1642 -27.9675 46.406 -27.0297 24.7793 -49.4463 45.8435 -49.6915 3.94374 TIMING: 3137400 CPU: 9980.59, 0.00318455/step Wall: 9980.59, 0.00318455/step, 1.64765 hours remaining, 239.968750 MB of memory in use. ENERGY: 3137400 3960.4858 20448.5108 14503.2352 262.5123 -203499.7296 2541.0090 0.0000 0.0000 52347.0008 -109436.9756 300.8389 -161783.9765 -109064.9347 299.4370 210.7829 243.3752 760038.1863 -7.3407 -7.1471 PRESSURE: 3137600 -171.811 28.7817 -189.168 28.7819 337.879 33.5063 -189.168 33.507 19.905 GPRESSURE: 3137600 -178.032 -7.02633 -129.867 -92.9618 398.62 10.0115 -156.707 -46.0326 60.6775 PRESSAVG: 3137600 39.0137 20.2099 31.4434 20.2099 11.0824 61.626 31.4433 61.626 -10.849 GPRESSAVG: 3137600 38.2314 19.6297 29.7126 19.3553 10.9419 61.9803 32.3793 62.3438 -9.55203 TIMING: 3137600 CPU: 9981.23, 0.00319177/step Wall: 9981.23, 0.00319177/step, 1.65121 hours remaining, 239.968750 MB of memory in use. ENERGY: 3137600 3890.4762 20595.3981 14397.6047 243.1497 -203498.4372 2731.9515 0.0000 0.0000 52182.0084 -109457.8486 299.8907 -161639.8570 -109095.5944 299.4775 61.9909 93.7553 760971.5533 13.0824 13.2071 PRESSURE: 3137800 -154.105 -60.9945 27.1975 -60.9948 101.461 -59.4965 27.1976 -59.4965 322.91 GPRESSURE: 3137800 -3.27457 -92.7053 -16.9758 104.892 111.321 -116.507 150.324 41.5404 246.999 PRESSAVG: 3137800 11.5633 -36.6845 -13.703 -36.6846 8.10229 -4.85224 -13.703 -4.85218 8.92695 GPRESSAVG: 3137800 12.1028 -36.0354 -12.04 -34.8224 8.58468 -5.06892 -14.3326 -2.98493 8.07994 TIMING: 3137800 CPU: 9981.86, 0.00318887/step Wall: 9981.86, 0.00318887/step, 1.64953 hours remaining, 239.968750 MB of memory in use. ENERGY: 3137800 3934.4740 20634.3549 14466.5373 244.6493 -203247.1332 2449.7206 0.0000 0.0000 52135.4115 -109381.9856 299.6229 -161517.3972 -109007.4194 299.4401 90.0887 118.3486 762148.8684 9.5309 9.5891 PRESSURE: 3138000 -159.636 43.8674 -26.8427 43.867 -142.992 88.6513 -26.8429 88.6513 -320.867 GPRESSURE: 3138000 -78.35 -20.2447 -47.3343 -11.8829 -122.628 108.254 -35.3288 22.2612 -331.526 PRESSAVG: 3138000 -32.4488 -27.2491 33.3182 -27.2491 -20.1941 -17.596 33.3182 -17.5959 -31.8705 GPRESSAVG: 3138000 -31.4195 -27.4973 32.9306 -30.1092 -21.1098 -16.4783 32.6071 -19.3408 -31.7907 TIMING: 3138000 CPU: 9982.5, 0.0031719/step Wall: 9982.5, 0.0031719/step, 1.64058 hours remaining, 239.968750 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: 3138000 4029.2414 20551.9191 14491.8092 250.6402 -203017.0572 2346.8840 0.0000 0.0000 52220.3505 -109126.2127 300.1111 -161346.5633 -108761.6278 299.5159 -207.8316 -177.5013 762332.5214 -28.1711 -28.1067 PRESSURE: 3138200 119.229 89.5893 -22.429 89.5888 28.7544 -21.3824 -22.429 -21.3838 379.154 GPRESSURE: 3138200 235.67 108.556 10.314 127.673 81.2917 -27.7029 -32.0969 -14.2718 315.797 PRESSAVG: 3138200 31.7208 -24.1876 -13.9675 -24.1876 -16.7904 8.32811 -13.9674 8.32814 5.89248 GPRESSAVG: 3138200 31.0462 -21.692 -15.3665 -25.6414 -16.2373 7.07805 -15.5058 7.36583 6.20811 TIMING: 3138200 CPU: 9983.14, 0.00318449/step Wall: 9983.14, 0.00318449/step, 1.64691 hours remaining, 239.968750 MB of memory in use. ENERGY: 3138200 3907.9022 20579.1981 14453.0350 259.2451 -203157.4945 2753.4085 0.0000 0.0000 52238.5290 -108966.1766 300.2155 -161204.7056 -108604.3144 300.1216 175.7125 210.9197 760973.0391 6.9410 7.0057 PRESSURE: 3138400 89.5229 -111.508 -60.4505 -111.509 -26.8969 -19.2626 -60.4504 -19.2624 19.3829 GPRESSURE: 3138400 63.4278 -103.334 -71.6939 -17.9189 14.4685 27.4072 -84.4943 -143.28 83.1666 PRESSAVG: 3138400 12.7325 -38.1873 18.6369 -38.1873 -52.7935 2.03342 18.6369 2.03342 -27.3362 GPRESSAVG: 3138400 12.1892 -40.0536 18.466 -35.5052 -52.0931 1.86753 20.378 3.61975 -27.0683 TIMING: 3138400 CPU: 9983.77, 0.00317919/step Wall: 9983.77, 0.00317919/step, 1.64399 hours remaining, 239.968750 MB of memory in use. ENERGY: 3138400 3939.4928 20605.9077 14441.5038 232.6082 -202948.8214 2478.7120 0.0000 0.0000 52307.3092 -108943.2877 300.6108 -161250.5970 -108587.0131 300.2299 27.3363 53.6876 760771.0031 -22.4657 -22.3241 PRESSURE: 3138600 231.355 30.5356 -43.298 30.5358 53.662 -103.515 -43.2992 -103.514 -341.288 GPRESSURE: 3138600 331.803 38.4447 -138.198 35.2039 -0.0416629 -164.572 -74.538 74.5973 -299.14 PRESSAVG: 3138600 56.9636 -16.4439 6.15223 -16.4439 -81.8863 18.6464 6.15225 18.6464 -7.93986 GPRESSAVG: 3138600 58.0155 -15.0189 4.26126 -18.1905 -82.5865 19.061 7.2035 17.0656 -8.02435 TIMING: 3138600 CPU: 9984.41, 0.00319815/step Wall: 9984.41, 0.00319815/step, 1.65362 hours remaining, 239.968750 MB of memory in use. ENERGY: 3138600 4085.2783 20358.2988 14413.8028 265.8451 -203400.7998 2740.1788 0.0000 0.0000 52558.9014 -108978.4946 302.0567 -161537.3960 -108605.9564 300.6225 -18.7571 10.8737 762398.5007 -10.9542 -10.8651 PRESSURE: 3138800 -280.847 -96.7084 -305.983 -96.7082 -132.981 40.5494 -305.984 40.549 4.02117 GPRESSURE: 3138800 -299.658 -24.4516 -292.511 -75.1661 -9.57977 85.5878 -259.192 82.1565 -15.8167 PRESSAVG: 3138800 31.9829 -28.9712 12.5619 -28.9712 -6.98795 40.7211 12.5619 40.7211 -1.99107 GPRESSAVG: 3138800 32.8086 -28.8343 14.5644 -29.8105 -6.93028 40.1229 11.2561 42.1842 -2.65678 TIMING: 3138800 CPU: 9985.05, 0.00317959/step Wall: 9985.05, 0.00317959/step, 1.64385 hours remaining, 239.968750 MB of memory in use. ENERGY: 3138800 4039.3315 20597.9828 14437.2930 272.5523 -203393.1478 2638.1669 0.0000 0.0000 52338.8987 -109068.9227 300.7924 -161407.8214 -108701.3638 300.3934 -136.6022 -108.3515 761112.7597 7.6680 7.7405 PRESSURE: 3139000 -107.285 -27.3861 78.6943 -27.3853 31.9787 -55.078 78.6933 -55.0776 131.961 GPRESSURE: 3139000 -111.782 73.6551 188.821 5.79957 54.4285 -16.685 184.832 -35.0614 196.606 PRESSAVG: 3139000 3.54595 -45.9661 -18.2467 -45.9661 -12.9682 65.9393 -18.2467 65.9393 -12.825 GPRESSAVG: 3139000 2.20476 -46.6091 -17.6918 -44.9487 -12.1512 66.2508 -17.7421 66.9667 -11.9087 TIMING: 3139000 CPU: 9985.68, 0.00317025/step Wall: 9985.68, 0.00317025/step, 1.63884 hours remaining, 239.968750 MB of memory in use. ENERGY: 3139000 3973.7211 20701.1768 14443.0169 237.9669 -203411.5674 2717.4313 0.0000 0.0000 52174.0892 -109164.1653 299.8452 -161338.2545 -108803.7904 300.0954 18.8850 46.4175 761378.6613 -7.4158 -7.2851 PRESSURE: 3139200 150.502 1.31432 -39.4383 1.3138 485.215 -205.87 -39.4385 -205.871 -100.748 GPRESSURE: 3139200 123.407 -14.2752 -133.374 -14.2989 571.351 -79.7271 -8.23614 -77.6766 -83.3251 PRESSAVG: 3139200 55.3295 -50.6974 3.76466 -50.6974 -63.6762 22.8625 3.76468 22.8625 17.1801 GPRESSAVG: 3139200 56.3901 -50.6505 2.63041 -49.6641 -65.4109 24.0549 3.22227 21.9286 17.254 TIMING: 3139200 CPU: 9986.32, 0.00319723/step Wall: 9986.32, 0.00319723/step, 1.65261 hours remaining, 239.968750 MB of memory in use. ENERGY: 3139200 3965.9816 20712.5559 14468.7572 260.0159 -203269.7310 2714.8685 0.0000 0.0000 52324.0638 -108823.4881 300.7071 -161147.5519 -108459.9582 300.8091 178.3228 203.8109 761364.1709 2.9445 2.7444 PRESSURE: 3139400 -151.726 71.0392 -108.597 71.0384 -70.6547 -32.8292 -108.597 -32.829 -40.6715 GPRESSURE: 3139400 -33.7773 66.8216 -90.5026 -17.0011 -68.1806 90.8061 17.6251 -66.9281 -64.3681 PRESSAVG: 3139400 17.8352 -28.6307 -3.77247 -28.6307 -24.9385 9.19362 -3.77246 9.19361 8.95236 GPRESSAVG: 3139400 16.8236 -30.3666 -3.99368 -29.1214 -23.0747 8.08312 -2.46532 7.94402 8.07178 TIMING: 3139400 CPU: 9986.96, 0.00319243/step Wall: 9986.96, 0.00319243/step, 1.64996 hours remaining, 239.968750 MB of memory in use. ENERGY: 3139400 4078.9036 20737.1335 14453.3443 253.4979 -203213.5737 2534.4830 0.0000 0.0000 52391.4822 -108764.7293 301.0946 -161156.2115 -108395.9710 300.5320 -87.6840 -55.4420 761272.6691 0.6164 0.6069 PRESSURE: 3139600 178.354 -136.085 -18.3378 -136.084 130.387 -11.7598 -18.3371 -11.7599 -1.71489 GPRESSURE: 3139600 209.064 -21.5706 -150.388 -57.7784 121.704 -68.4286 57.0756 -84.005 57.8529 PRESSAVG: 3139600 -28.925 -72.4974 40.4613 -72.4974 -17.1376 -41.1014 40.4614 -41.1015 -16.0899 GPRESSAVG: 3139600 -28.4764 -70.6372 40.9182 -73.0171 -18.1283 -42.3424 41.2941 -41.5254 -14.9262 TIMING: 3139600 CPU: 9987.59, 0.00317389/step Wall: 9987.59, 0.00317389/step, 1.6402 hours remaining, 239.968750 MB of memory in use. ENERGY: 3139600 3989.7474 20702.4543 14455.7187 249.1587 -203274.4227 2652.7166 0.0000 0.0000 52248.4034 -108976.2235 300.2723 -161224.6270 -108611.8461 300.9035 102.3419 129.5402 761808.6178 -20.7175 -20.5103 PRESSURE: 3139800 322.52 28.8102 -147.789 28.8109 -70.9501 57.8012 -147.789 57.8014 393.426 GPRESSURE: 3139800 299.166 20.9735 -101.849 -25.7252 73.9393 0.618802 -76.7085 -27.7916 352.419 PRESSAVG: 3139800 5.65605 10.1013 11.8461 10.1013 -2.94629 -38.7773 11.8461 -38.7772 -8.17102 GPRESSAVG: 3139800 5.73722 9.05371 12.2285 12.4067 -2.30846 -36.2877 9.25844 -40.0985 -9.07569 TIMING: 3139800 CPU: 9988.22, 0.00315251/step Wall: 9988.22, 0.00315251/step, 1.62897 hours remaining, 239.968750 MB of memory in use. ENERGY: 3139800 3940.7722 20598.5814 14495.5143 274.4825 -203203.2536 2608.9661 0.0000 0.0000 52323.6445 -108961.2925 300.7047 -161284.9370 -108595.9590 300.5459 214.9984 241.8413 760020.8708 -1.8204 -1.8823 PRESSURE: 3140000 -191.637 -5.70437 269.295 -5.70318 -95.3771 -64.8723 269.295 -64.8728 183.925 GPRESSURE: 3140000 -158.843 88.4482 265.696 -45.2672 -23.4877 -14.6669 63.8823 -219.696 169.466 PRESSAVG: 3140000 -11.118 46.231 5.68243 46.231 29.9996 -20.1238 5.68246 -20.1237 -8.54443 GPRESSAVG: 3140000 -8.51196 47.9606 7.16093 43.2687 29.4414 -18.3997 2.49064 -20.981 -10.5771 TIMING: 3140000 CPU: 9988.86, 0.00318119/step Wall: 9988.86, 0.00318119/step, 1.64361 hours remaining, 239.968750 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: 3140000 4090.6529 20672.6135 14451.8684 247.1909 -202920.8971 2386.0293 0.0000 0.0000 52306.1063 -108766.4357 300.6039 -161072.5421 -108404.6037 300.6647 -34.3630 -4.2884 760939.8605 3.4457 3.4508 PRESSURE: 3140200 211.387 31.8252 -166.261 31.8252 199.642 -69.7207 -166.26 -69.7218 -267.609 GPRESSURE: 3140200 86.8437 -8.05767 -207.041 86.2648 281.58 -44.8491 -153.462 -28.5765 -143.699 PRESSAVG: 3140200 -27.1337 -27.8917 -30.8466 -27.8917 22.982 4.17527 -30.8466 4.17516 -3.78302 GPRESSAVG: 3140200 -29.6235 -30.9321 -33.2681 -26.9026 24.0066 1.39813 -28.3648 8.29947 -2.35461 TIMING: 3140200 CPU: 9989.49, 0.00315224/step Wall: 9989.49, 0.00315224/step, 1.62848 hours remaining, 239.968750 MB of memory in use. ENERGY: 3140200 4001.6149 20615.4243 14538.1681 250.0689 -203216.4939 2457.5526 0.0000 0.0000 52463.5013 -108890.1637 301.5085 -161353.6651 -108532.2384 301.3572 47.8068 74.9082 759183.8795 -2.6449 -2.6572 LDB: ============= START OF LOAD BALANCING ============== 10001.9 LDB: ============== END OF LOAD BALANCING =============== 10001.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10001.9 LDB: ============= START OF LOAD BALANCING ============== 10002.3 LDB: Largest compute 7070 load 0.036394 is 18.6% of average load 0.195409 LDB: Average compute 0.004394 is 2.2% of average load 0.195409 LDB: TIME 10002.3 LOAD: AVG 0.195409 MAX 0.215978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.512 MB LDB: TIME 10002.3 LOAD: AVG 0.195409 MAX 0.215978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.512 MB LDB: TIME 10002.3 LOAD: AVG 0.195409 MAX 0.215978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.512 MB LDB: ============== END OF LOAD BALANCING =============== 10002.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10002.3 PRESSURE: 3140400 -59.3155 -207.637 -240.297 -207.638 -133.054 -8.78156 -240.298 -8.7811 140.967 GPRESSURE: 3140400 -1.52178 -163.856 -219.688 -313.282 -121.797 -6.00995 -149.9 -6.51527 153.17 PRESSAVG: 3140400 27.6179 -20.9246 -9.52161 -20.9246 -5.8781 14.4182 -9.52164 14.4182 -6.06497 GPRESSAVG: 3140400 29.1652 -19.1696 -7.61077 -20.3018 -6.68276 14.2438 -9.95309 13.7006 -6.95385 TIMING: 3140400 CPU: 9990.14, 0.00325471/step Wall: 9990.14, 0.00325471/step, 1.68124 hours remaining, 240.550781 MB of memory in use. ENERGY: 3140400 3971.4946 20751.3686 14408.9992 249.9621 -202966.7398 2400.8535 0.0000 0.0000 52373.9756 -108810.0863 300.9940 -161184.0618 -108458.1009 301.1407 -17.1343 9.9505 760765.3543 5.2249 5.1762 PRESSURE: 3140600 -20.9376 -10.5941 -120.8 -10.5942 -175.845 -236.138 -120.8 -236.137 -66.5033 GPRESSURE: 3140600 21.9064 23.6753 -160.062 -18.9952 -138.519 -231.504 -244.408 -233.802 -50.2989 PRESSAVG: 3140600 -36.8421 -23.9102 28.1462 -23.9102 -0.739866 17.7988 28.1462 17.7988 0.0481806 GPRESSAVG: 3140600 -37.478 -26.2584 27.5985 -24.7889 -0.108017 18.0632 29.3782 17.8487 0.0791167 TIMING: 3140600 CPU: 9990.78, 0.00321196/step Wall: 9990.78, 0.00321196/step, 1.65898 hours remaining, 240.550781 MB of memory in use. ENERGY: 3140600 4075.5461 20607.6653 14402.6993 257.8897 -202613.2111 2168.6316 0.0000 0.0000 52134.9688 -108965.8103 299.6204 -161100.7791 -108608.3113 300.1907 -87.7619 -55.6372 762121.7664 -12.5113 -12.5023 PRESSURE: 3140800 331.452 -248.509 61.6949 -248.51 245.82 98.1107 61.6955 98.1101 366.618 GPRESSURE: 3140800 342.115 -256.459 42.4391 -162.598 285.495 81.5492 78.8067 18.7767 414.622 PRESSAVG: 3140800 -4.13904 -37.5051 -25.5326 -37.5051 -10.9108 -10.6572 -25.5326 -10.6572 5.18423 GPRESSAVG: 3140800 -4.96875 -36.4348 -25.4752 -36.1472 -10.8946 -9.77105 -27.3788 -11.5688 6.25317 TIMING: 3140800 CPU: 9991.42, 0.00317177/step Wall: 9991.42, 0.00317177/step, 1.63804 hours remaining, 240.550781 MB of memory in use. ENERGY: 3140800 3976.0085 20687.3794 14439.4254 240.0830 -203423.8757 2724.6529 0.0000 0.0000 52347.9685 -109008.3580 300.8445 -161356.3266 -108635.5976 300.0256 314.6301 347.4107 760549.8191 -3.2886 -3.2034 PRESSURE: 3141000 415.08 -131.566 -171.819 -131.566 -52.3482 -100.4 -171.819 -100.4 166.181 GPRESSURE: 3141000 566.366 -138.944 -125.133 -311.086 -116.609 -11.9538 -90.2852 -180.181 146.256 PRESSAVG: 3141000 -67.6212 24.3936 45.4234 24.3936 38.6784 -30.1351 45.4234 -30.1352 -13.1062 GPRESSAVG: 3141000 -67.2913 23.9029 44.885 22.8709 37.5811 -29.7116 46.5864 -31.6745 -12.9265 TIMING: 3141000 CPU: 9992.06, 0.00319087/step Wall: 9992.06, 0.00319087/step, 1.64773 hours remaining, 240.550781 MB of memory in use. ENERGY: 3141000 4008.6596 20617.0404 14476.6197 237.9148 -203279.2378 2497.6903 0.0000 0.0000 52326.4269 -109114.8860 300.7207 -161441.3129 -108756.3068 300.4053 176.3043 198.6709 759972.7323 -14.0164 -14.2122 PRESSURE: 3141200 -130.306 93.7444 249.539 93.7438 29.8904 -2.66675 249.54 -2.6673 -453.189 GPRESSURE: 3141200 -57.1961 137.313 220.174 121.172 41.0799 84.7381 170.498 -87.6935 -442.09 PRESSAVG: 3141200 -7.74143 18.222 36.9465 18.222 89.4969 -20.7515 36.9465 -20.7514 -8.1514 GPRESSAVG: 3141200 -8.17145 16.9877 37.8877 18.8484 89.7161 -20.5898 37.9189 -20.752 -7.82378 TIMING: 3141200 CPU: 9992.69, 0.00318703/step Wall: 9992.69, 0.00318703/step, 1.64557 hours remaining, 240.550781 MB of memory in use. ENERGY: 3141200 4024.8984 20396.4988 14429.6878 253.1412 -202979.6664 2341.4720 0.0000 0.0000 52197.0069 -109336.9615 299.9769 -161533.9683 -108978.0547 299.8848 -184.5349 -152.7355 760895.4326 24.5347 24.5736 PRESSURE: 3141400 306.617 8.32495 148.232 8.3254 103.041 10.0289 148.233 10.0282 -165.706 GPRESSURE: 3141400 304.991 53.4394 172.987 11.4655 97.0527 27.7784 149.863 -9.94188 -75.8911 PRESSAVG: 3141400 21.8921 5.1928 52.7432 5.19268 -28.9972 7.07574 52.7432 7.07574 -25.8502 GPRESSAVG: 3141400 22.672 7.63278 53.1957 4.0536 -28.7262 5.69954 50.8406 8.7462 -26.4288 TIMING: 3141400 CPU: 9993.32, 0.00315164/step Wall: 9993.32, 0.00315164/step, 1.62712 hours remaining, 240.550781 MB of memory in use. ENERGY: 3141400 4072.8801 20610.7429 14417.2739 234.6935 -203375.6081 2705.6955 0.0000 0.0000 52258.2653 -109076.0569 300.3290 -161334.3223 -108725.9776 299.5801 81.3173 108.7176 760141.2303 -10.9851 -10.8277 PRESSURE: 3141600 -171.806 -75.1254 -117.384 -75.126 -69.642 101.089 -117.386 101.089 -85.1034 GPRESSURE: 3141600 -103.011 -3.562 -158.651 -111.999 -117.328 77.4968 6.19884 55.9957 -24.4592 PRESSAVG: 3141600 -4.47393 -4.50303 13.6885 -4.50308 28.2364 -8.56709 13.6885 -8.56707 10.2893 GPRESSAVG: 3141600 -6.56333 -6.13206 11.9863 -3.43273 29.109 -8.2767 16.2451 -9.54639 11.1715 TIMING: 3141600 CPU: 9993.96, 0.00315988/step Wall: 9993.96, 0.00315988/step, 1.6312 hours remaining, 240.550781 MB of memory in use. ENERGY: 3141600 4019.6705 20606.3378 14371.2718 240.3725 -203271.5466 2633.7694 0.0000 0.0000 52259.4014 -109140.7233 300.3355 -161400.1247 -108783.7646 300.4489 -108.8503 -81.5994 760472.2905 11.3506 11.2390 PRESSURE: 3141800 -92.5132 97.5191 137.355 97.5195 231.99 -244.19 137.355 -244.19 211.188 GPRESSURE: 3141800 -80.6682 179.499 134.008 184.506 261.918 -192.348 82.8629 -287.661 255.489 PRESSAVG: 3141800 16.61 10.9088 6.04974 10.9087 -13.8653 18.1636 6.04975 18.1636 15.4634 GPRESSAVG: 3141800 17.5704 12.0049 7.03347 11.6837 -13.2685 18.4804 4.23721 16.7614 14.3035 TIMING: 3141800 CPU: 9994.59, 0.0031811/step Wall: 9994.59, 0.0031811/step, 1.64198 hours remaining, 240.550781 MB of memory in use. ENERGY: 3141800 3928.1902 20662.4959 14420.1251 249.2611 -202947.1587 2295.4656 0.0000 0.0000 52229.6266 -109161.9942 300.1644 -161391.6208 -108795.4107 299.8871 116.8881 145.5797 761523.5659 6.0694 6.2018 PRESSURE: 3142000 26.3345 -0.445743 -5.13332 -0.444296 -4.83537 -195.991 -5.13307 -195.99 77.789 GPRESSURE: 3142000 181.826 -30.781 -19.6002 127.162 -17.1724 -118.377 -11.6976 -128.672 14.1322 PRESSAVG: 3142000 24.4414 -31.7489 2.49523 -31.7489 -3.3838 18.0387 2.49519 18.0387 -7.80886 GPRESSAVG: 3142000 25.3996 -33.1298 1.66816 -31.2103 -4.78644 18.4954 3.29717 19.9211 -7.07007 TIMING: 3142000 CPU: 9995.23, 0.00317047/step Wall: 9995.23, 0.00317047/step, 1.63631 hours remaining, 240.550781 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: 3142000 3964.4530 20397.3510 14367.6878 239.9669 -203179.6532 2585.3325 0.0000 0.0000 52364.0283 -109260.8336 300.9368 -161624.8619 -108902.4841 299.5688 33.0961 59.5952 761251.9313 4.4162 4.5144 PRESSURE: 3142200 79.6984 122.255 220.943 122.255 120.005 189.682 220.942 189.681 -68.1325 GPRESSURE: 3142200 28.251 90.6961 200.896 10.4123 226.063 133.831 211.722 283.276 -28.9479 PRESSAVG: 3142200 6.71086 28.5154 -19.0481 28.5154 -29.7774 -40.012 -19.0481 -40.012 2.00113 GPRESSAVG: 3142200 6.19777 30.4745 -18.1473 28.1569 -28.4728 -41.7684 -19.6002 -39.9026 2.1836 TIMING: 3142200 CPU: 9995.87, 0.00321954/step Wall: 9995.87, 0.00321954/step, 1.66146 hours remaining, 240.550781 MB of memory in use. ENERGY: 3142200 4016.1616 20636.1912 14420.1568 241.5640 -203276.6977 2447.2402 0.0000 0.0000 52204.5009 -109310.8831 300.0200 -161515.3840 -108947.8165 299.7077 43.8568 75.1220 760910.8140 -7.0218 -6.6971 PRESSURE: 3142400 -150.002 -39.4965 -42.8762 -39.4959 -255.109 109.598 -42.8757 109.597 -265.158 GPRESSURE: 3142400 -136.947 -60.3141 -82.3725 -8.60553 -219.324 48.7458 -1.27544 144.147 -223.438 PRESSAVG: 3142400 43.9221 -0.763411 41.5199 -0.763429 -59.2841 20.0286 41.52 20.0286 0.155531 GPRESSAVG: 3142400 43.2439 -2.07952 42.1671 -1.95865 -59.9218 20.9511 40.0583 18.6311 0.891904 TIMING: 3142400 CPU: 9996.51, 0.00319227/step Wall: 9996.51, 0.00319227/step, 1.64721 hours remaining, 240.550781 MB of memory in use. ENERGY: 3142400 4058.4898 20581.9006 14399.9293 243.1220 -202978.4512 2314.7709 0.0000 0.0000 51927.5523 -109452.6864 298.4284 -161380.2386 -109097.6613 299.3622 -223.4232 -193.2363 761930.2956 -5.0688 -5.2620 PRESSURE: 3142600 79.7991 -28.8342 -1.84673 -28.8337 48.9304 298.004 -1.8476 298.004 -81.6212 GPRESSURE: 3142600 129.124 21.6722 9.14469 49.7637 58.7595 328.954 48.602 169.887 -40.8796 PRESSAVG: 3142600 8.29438 45.7765 31.2634 45.7766 -12.2099 20.4657 31.2634 20.4656 -8.75184 GPRESSAVG: 3142600 8.78586 44.4506 29.6731 47.0913 -13.3261 21.2156 32.4398 20.0317 -7.81951 TIMING: 3142600 CPU: 9997.14, 0.00316705/step Wall: 9997.14, 0.00316705/step, 1.63402 hours remaining, 240.550781 MB of memory in use. ENERGY: 3142600 3912.6399 20616.5647 14438.2242 241.8194 -203207.7271 2328.0185 0.0000 0.0000 51996.4454 -109674.0148 298.8243 -161670.4603 -109316.0171 299.3020 15.7028 49.0014 760622.0553 -4.2225 -4.1199 PRESSURE: 3142800 152.095 -209.133 -58.8073 -209.133 -195.722 -23.2037 -58.8073 -23.2038 187.144 GPRESSURE: 3142800 144.178 -177.064 -78.77 -58.8525 -67.864 -82.2114 -4.49424 -20.458 123.113 PRESSAVG: 3142800 11.1392 7.10888 11.1234 7.10883 -33.2538 -14.9639 11.1234 -14.9638 1.43998 GPRESSAVG: 3142800 11.7395 10.4779 11.6407 7.15286 -32.9736 -17.5034 13.0749 -15.1343 0.275793 TIMING: 3142800 CPU: 9997.78, 0.00317848/step Wall: 9997.78, 0.00317848/step, 1.63974 hours remaining, 240.550781 MB of memory in use. ENERGY: 3142800 3964.5319 20535.3622 14497.9899 268.9723 -203151.8410 2216.4925 0.0000 0.0000 51943.8214 -109724.6708 298.5219 -161668.4922 -109362.9873 299.2599 47.8389 66.4757 758588.9089 -6.8915 -6.9861 PRESSURE: 3143000 -112.042 -215.613 263.658 -215.613 126.362 -176.635 263.658 -176.636 296.886 GPRESSURE: 3143000 -65.7997 -266.768 291.357 -158.323 112.235 -176.549 200.896 -65.944 302.18 PRESSAVG: 3143000 -4.86112 -5.20976 30.7866 -5.20979 14.5365 3.7046 30.7866 3.70459 1.62146 GPRESSAVG: 3143000 -5.32115 -6.1713 30.1892 -5.2168 15.8191 7.0735 29.8764 4.83242 0.8608 TIMING: 3143000 CPU: 9998.41, 0.003177/step Wall: 9998.41, 0.003177/step, 1.6388 hours remaining, 240.550781 MB of memory in use. ENERGY: 3143000 3958.3535 20604.6824 14498.9844 257.2741 -203598.4543 2671.1384 0.0000 0.0000 52086.0756 -109521.9458 299.3394 -161608.0214 -109159.5573 298.8740 103.7352 116.2052 761308.0321 3.7656 3.7863 PRESSURE: 3143200 -61.0179 -82.5615 -59.0824 -82.5613 179.166 25.6449 -59.0829 25.6446 -554.584 GPRESSURE: 3143200 -22.4182 -50.6666 68.9609 -60.2997 203.14 -33.9587 17.7321 41.9858 -534.524 PRESSAVG: 3143200 -38.7101 38.7628 19.226 38.7628 -15.9532 -35.2106 19.2259 -35.2106 -9.29615 GPRESSAVG: 3143200 -38.6616 38.8969 21.0121 38.6922 -16.5569 -35.6567 18.0478 -34.6734 -9.43483 TIMING: 3143200 CPU: 9999.05, 0.00319918/step Wall: 9999.05, 0.00319918/step, 1.65007 hours remaining, 240.550781 MB of memory in use. ENERGY: 3143200 4000.0345 20690.1194 14441.8932 257.0663 -203454.5391 2374.6880 0.0000 0.0000 51882.8854 -109807.8523 298.1717 -161690.7376 -109449.3597 299.0551 -145.4787 -117.9342 761587.7820 -21.3198 -21.5511 PRESSURE: 3143400 474.68 -27.5891 269.13 -27.5891 -96.3887 17.7512 269.13 17.7506 -323.497 GPRESSURE: 3143400 406.945 -14.0421 248.236 -12.7698 35.1807 -1.16959 236.595 125.124 -291.942 PRESSAVG: 3143400 -13.6511 -0.572013 42.7908 -0.571857 52.3412 49.2947 42.7907 49.2947 -24.0542 GPRESSAVG: 3143400 -13.8324 -1.09562 41.4916 0.152685 52.3605 48.451 43.7847 49.0267 -23.6423 TIMING: 3143400 CPU: 9999.69, 0.00320261/step Wall: 9999.69, 0.00320261/step, 1.65166 hours remaining, 240.550781 MB of memory in use. ENERGY: 3143400 3929.6429 20472.5493 14348.9438 242.7159 -203545.5779 2358.0701 0.0000 0.0000 52233.1398 -109960.5161 300.1846 -162193.6558 -109589.0465 298.8097 18.2648 50.0611 760742.3293 4.8786 4.9619 PRESSURE: 3143600 24.6537 159.666 44.6946 159.667 19.6685 89.6705 44.6947 89.6714 211.231 GPRESSURE: 3143600 132.858 110.515 113.886 203.786 27.0141 100.898 -44.8428 -17.379 203.66 PRESSAVG: 3143600 -17.7734 24.911 50.1304 24.9111 6.91894 30.314 50.1305 30.3142 14.0461 GPRESSAVG: 3143600 -16.0687 24.3199 51.0059 23.7594 5.91211 30.7299 48.3669 29.9553 13.0577 TIMING: 3143600 CPU: 10000.3, 0.00318934/step Wall: 10000.3, 0.00318934/step, 1.64464 hours remaining, 240.550781 MB of memory in use. ENERGY: 3143600 3973.0434 20472.2129 14433.0970 235.3389 -203523.6507 2451.6595 0.0000 0.0000 52105.2777 -109853.0213 299.4497 -161958.2990 -109492.1974 298.4059 85.1844 121.1775 762046.9752 1.0639 0.9670 PRESSURE: 3143800 424.409 119.007 5.83098 119.008 157.498 220.505 5.83147 220.504 319.447 GPRESSURE: 3143800 520.833 41.1211 10.0883 142.561 141.057 209.488 5.68801 213.206 313.115 PRESSAVG: 3143800 -29.4954 15.1671 1.4859 15.1671 23.3929 46.585 1.48588 46.585 -7.81852 GPRESSAVG: 3143800 -31.8723 14.8435 2.0965 14.7414 23.5169 45.7879 1.9888 45.74 -6.4673 TIMING: 3143800 CPU: 10001, 0.00319513/step Wall: 10001, 0.00319513/step, 1.64744 hours remaining, 240.550781 MB of memory in use. ENERGY: 3143800 3974.9152 20448.8600 14457.4252 246.3143 -203946.4332 3018.9507 0.0000 0.0000 51904.5370 -109895.4309 298.2961 -161799.9679 -109542.8868 298.6953 300.4513 325.0017 760074.3615 -4.6403 -4.9409 PRESSURE: 3144000 88.1538 -73.3621 -211.599 -73.3614 39.6036 -65.1411 -211.598 -65.1409 482.839 GPRESSURE: 3144000 77.0402 15.9299 -259.903 -126.902 152.756 -75.7134 -197.954 -61.3004 459.981 PRESSAVG: 3144000 54.0519 -6.91731 -37.6597 -6.91733 -41.4908 49.2575 -37.6597 49.2575 1.04005 GPRESSAVG: 3144000 54.5818 -4.74758 -38.3647 -6.39664 -39.8636 49.9598 -36.5871 49.7812 -1.14706 TIMING: 3144000 CPU: 10001.6, 0.00316128/step Wall: 10001.6, 0.00316128/step, 1.62982 hours remaining, 240.550781 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: 3144000 3966.5219 20729.8980 14471.3492 234.3029 -203705.3808 2729.4095 0.0000 0.0000 51892.6889 -109681.2104 298.2280 -161573.8993 -109330.1486 298.3993 203.5322 229.9257 761050.3072 4.5337 4.5237 PRESSURE: 3144200 -3.99193 -151.601 -71.9167 -151.601 -2.15934 86.0829 -71.9165 86.0826 32.6909 GPRESSURE: 3144200 64.413 -66.631 -114.966 -95.2043 54.3738 121.781 99.9473 -4.68981 6.97497 PRESSAVG: 3144200 -11.7243 -16.9858 59.652 -16.9858 13.9918 -9.71682 59.652 -9.71679 -7.94775 GPRESSAVG: 3144200 -11.8173 -16.9038 59.9597 -18.9504 13.2149 -9.14351 59.2983 -9.48946 -6.98318 TIMING: 3144200 CPU: 10002.2, 0.00315818/step Wall: 10002.2, 0.00315818/step, 1.62804 hours remaining, 240.550781 MB of memory in use. ENERGY: 3144200 3971.0443 20556.6136 14407.9317 245.6684 -203413.1440 2865.8978 0.0000 0.0000 51961.5889 -109404.3993 298.6240 -161365.9882 -109045.8057 299.0837 8.8466 41.9206 762587.1353 -1.8934 -1.8619 LDB: ============= START OF LOAD BALANCING ============== 10014.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10014.7 LDB: =============== DONE WITH MIGRATION ================ 10014.7 LDB: ============= START OF LOAD BALANCING ============== 10015 LDB: Largest compute 7070 load 0.037745 is 19.3% of average load 0.195263 LDB: Average compute 0.004396 is 2.3% of average load 0.195263 LDB: TIME 10015 LOAD: AVG 0.195263 MAX 0.211429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 10015 LOAD: AVG 0.195263 MAX 0.211429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: TIME 10015 LOAD: AVG 0.195263 MAX 0.211429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: ============== END OF LOAD BALANCING =============== 10015 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10015 PRESSURE: 3144400 -48.3029 -81.9394 180.684 -81.9399 -121.713 -42.1473 180.684 -42.1474 117.299 GPRESSURE: 3144400 -26.4914 -112.966 132.127 7.06011 -121.174 43.2494 85.7695 1.66755 181.185 PRESSAVG: 3144400 -23.0401 4.25889 -49.8881 4.25887 16.4487 -6.46555 -49.8881 -6.46551 -4.73166 GPRESSAVG: 3144400 -22.9024 3.67142 -50.2178 6.22882 16.215 -6.41011 -49.5808 -6.17828 -5.01634 TIMING: 3144400 CPU: 10002.9, 0.00322075/step Wall: 10002.9, 0.00322075/step, 1.66012 hours remaining, 240.664062 MB of memory in use. ENERGY: 3144400 3973.3156 20495.8679 14434.4086 244.1319 -203443.2025 2509.1768 0.0000 0.0000 52064.7731 -109721.5285 299.2170 -161786.3017 -109353.2113 298.9692 -17.5724 11.1731 762209.0729 -3.7743 -3.9012 PRESSURE: 3144600 144.08 -91.0865 -123.237 -91.0872 96.4472 -68.4823 -123.237 -68.4833 -104.542 GPRESSURE: 3144600 186.293 -175.264 -62.1188 -66.9436 126.7 -11.5024 -65.5304 -161.228 -92.322 PRESSAVG: 3144600 8.17927 -11.7331 13.5717 -11.7332 21.1349 -19.0723 13.5717 -19.0723 3.08954 GPRESSAVG: 3144600 7.02707 -11.5141 14.464 -11.7345 20.8616 -20.2019 12.5484 -20.8164 4.29446 TIMING: 3144600 CPU: 10003.5, 0.00314734/step Wall: 10003.5, 0.00314734/step, 1.6221 hours remaining, 240.664062 MB of memory in use. ENERGY: 3144600 4018.3557 20495.4477 14409.6316 256.6371 -203840.1715 2657.2476 0.0000 0.0000 52213.1975 -109789.6543 300.0700 -162002.8518 -109427.2879 298.6970 45.3283 73.5569 760004.2246 10.8012 10.7277 PRESSURE: 3144800 56.4047 -52.5444 13.6256 -52.5445 -347.614 261.524 13.6263 261.523 132.774 GPRESSURE: 3144800 49.9603 -51.301 25.6636 -81.2088 -315.766 223.611 91.5458 334.235 179.627 PRESSAVG: 3144800 14.5799 -60.8188 36.0204 -60.8188 -9.09195 6.76066 36.0205 6.76073 -4.04875 GPRESSAVG: 3144800 14.6011 -61.9496 36.1034 -60.8471 -8.45268 6.82667 35.949 9.49279 -4.55041 TIMING: 3144800 CPU: 10004.1, 0.00317481/step Wall: 10004.1, 0.00317481/step, 1.63609 hours remaining, 240.664062 MB of memory in use. ENERGY: 3144800 3983.4139 20506.5428 14366.0169 257.3120 -203308.1788 2533.8655 0.0000 0.0000 52009.9624 -109651.0654 298.9020 -161661.0278 -109281.9843 299.1677 -52.8119 -28.7265 760929.9378 0.4797 0.5327 PRESSURE: 3145000 -73.7717 -134.414 -162.798 -134.414 205.015 230.48 -162.797 230.479 -178.813 GPRESSURE: 3145000 -38.6544 -59.5022 -144.144 -154.902 212.33 223.336 -98.9593 47.1737 -123.225 PRESSAVG: 3145000 26.4581 0.258503 -2.72074 0.258541 -13.039 70.7833 -2.72067 70.7833 -3.83278 GPRESSAVG: 3145000 26.0813 1.32872 -1.41133 0.357415 -11.6961 70.1331 -1.94073 70.5772 -3.85823 TIMING: 3145000 CPU: 10004.8, 0.00318083/step Wall: 10004.8, 0.00318083/step, 1.63901 hours remaining, 240.664062 MB of memory in use. ENERGY: 3145000 4020.9277 20621.4149 14461.6230 267.0091 -203646.1694 2733.7840 0.0000 0.0000 52104.1781 -109437.2326 299.4434 -161541.4107 -109083.4205 299.5368 -15.8568 16.8168 759831.1434 3.1954 3.5090 PRESSURE: 3145200 233.976 -23.8496 30.4348 -23.8495 300.595 49.5146 30.4349 49.5149 -14.3309 GPRESSURE: 3145200 348.189 48.8918 22.9696 -120.475 239.337 59.6306 14.9248 45.2315 17.8158 PRESSAVG: 3145200 29.1801 -12.3438 -8.64912 -12.3438 -51.5154 30.2327 -8.64911 30.2327 5.10684 GPRESSAVG: 3145200 30.3428 -11.3098 -10.7485 -12.7263 -52.5375 30.9647 -9.85441 29.0964 4.49035 TIMING: 3145200 CPU: 10005.4, 0.00317794/step Wall: 10005.4, 0.00317794/step, 1.63734 hours remaining, 240.664062 MB of memory in use. ENERGY: 3145200 3970.7911 20608.1347 14476.3774 244.8869 -203777.3093 2797.3668 0.0000 0.0000 52284.7890 -109394.9634 300.4814 -161679.7524 -109037.3210 300.0959 173.4136 201.7808 760010.5544 -5.7428 -5.9015 PRESSURE: 3145400 175.524 -156.359 129.881 -156.359 -13.5822 183.798 129.881 183.798 -132.916 GPRESSURE: 3145400 98.1937 -263.85 172.194 -88.0762 57.1541 252.174 52.1007 207.868 -29.6347 PRESSAVG: 3145400 -8.92551 -2.62846 32.9243 -2.62849 -16.7781 -3.71331 32.9243 -3.71321 7.88445 GPRESSAVG: 3145400 -9.81696 -6.15263 33.3232 -2.5577 -16.815 -3.3685 33.7208 -3.50957 8.57104 TIMING: 3145400 CPU: 10006.1, 0.00318527/step Wall: 10006.1, 0.00318527/step, 1.64094 hours remaining, 240.664062 MB of memory in use. ENERGY: 3145400 3956.6880 20574.7076 14415.8102 246.4112 -203535.8579 2598.4923 0.0000 0.0000 52203.2542 -109540.4943 300.0128 -161743.7485 -109177.9189 299.8719 9.6752 41.9044 760515.2120 -5.9397 -6.0203 PRESSURE: 3145600 -157.905 -13.9351 -262.753 -13.9354 -15.7206 151.843 -262.752 151.843 -5.82704 GPRESSURE: 3145600 -107.214 83.0593 -236.797 101.096 32.6639 155.28 -170.586 78.4166 -19.4155 PRESSAVG: 3145600 -17.0796 -28.5011 20.5222 -28.5011 41.3208 -3.56942 20.5222 -3.56944 5.41482 GPRESSAVG: 3145600 -17.0892 -28.3267 19.9276 -26.159 39.6875 -1.40679 22.7031 -4.29848 6.32418 TIMING: 3145600 CPU: 10006.7, 0.00318726/step Wall: 10006.7, 0.00318726/step, 1.64179 hours remaining, 240.664062 MB of memory in use. ENERGY: 3145600 3936.5784 20388.4057 14509.1147 261.6915 -203196.5656 2484.5513 0.0000 0.0000 52088.6037 -109527.6202 299.3539 -161616.2240 -109160.1305 299.8187 -59.8177 -31.3219 761992.9766 9.8853 9.6408 PRESSURE: 3145800 8.83074 -62.0483 173.003 -62.0487 -264.529 -57.5994 173.003 -57.5994 179.194 GPRESSURE: 3145800 83.0476 -8.30202 53.7328 -52.534 -281.611 -3.57838 158.721 -44.7631 199.656 PRESSAVG: 3145800 14.2145 -14.6219 28.3104 -14.622 -38.2657 74.0492 28.3104 74.0491 -2.43528 GPRESSAVG: 3145800 13.6829 -12.5127 27.543 -15.9535 -36.6777 71.957 29.3203 74.9477 -3.86268 TIMING: 3145800 CPU: 10007.3, 0.00315781/step Wall: 10007.3, 0.00315781/step, 1.62645 hours remaining, 240.664062 MB of memory in use. ENERGY: 3145800 4004.9172 20656.5695 14416.0560 251.6906 -203602.9024 2536.5343 0.0000 0.0000 52173.4165 -109563.7184 299.8413 -161737.1349 -109193.7435 299.1526 -25.5014 0.3643 760534.5132 -8.8288 -8.9525 PRESSURE: 3146000 -95.3179 190.666 -17.7657 190.666 -175.247 -155.193 -17.7645 -155.193 75.1368 GPRESSURE: 3146000 -32.4177 82.7677 14.3 94.7223 -151.967 -243.599 20.3656 -94.9589 56.4295 PRESSAVG: 3146000 -6.19743 8.97246 38.1534 8.97232 -13.4715 -7.62468 38.1535 -7.62473 16.7346 GPRESSAVG: 3146000 -4.90607 8.63825 38.4252 7.96509 -14.46 -8.83954 32.9776 -5.9325 16.5369 TIMING: 3146000 CPU: 10008, 0.00314256/step Wall: 10008, 0.00314256/step, 1.61842 hours remaining, 240.664062 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: 3146000 4026.6299 20636.7062 14487.0528 248.4905 -203366.9712 2490.7916 0.0000 0.0000 51863.9614 -109613.3388 298.0629 -161477.3002 -109258.6386 299.1172 -65.1428 -42.6517 760472.2503 -0.9781 -0.9431 PRESSURE: 3146200 117.075 -17.2519 119.5 -17.2527 -480.845 115.646 119.499 115.645 -238.433 GPRESSURE: 3146200 59.5135 -83.2164 80.8367 -36.2204 -389.632 186.822 146.047 -67.1253 -183.689 PRESSAVG: 3146200 64.1898 -21.1797 -6.27404 -21.1797 -11.7886 -46.3928 -6.27407 -46.3928 -10.8459 GPRESSAVG: 3146200 63.3273 -19.6194 -7.90726 -23.4194 -12.4696 -43.9113 -2.99361 -48.7761 -9.49084 TIMING: 3146200 CPU: 10008.6, 0.00316137/step Wall: 10008.6, 0.00316137/step, 1.62793 hours remaining, 240.664062 MB of memory in use. ENERGY: 3146200 3979.5304 20718.2088 14456.6822 245.3985 -203193.6713 2237.9464 0.0000 0.0000 51985.7855 -109570.1194 298.7630 -161555.9050 -109217.0022 298.8242 -200.7346 -171.2692 760780.7922 13.8518 13.7890 PRESSURE: 3146400 -353.07 -282.955 72.1265 -282.954 -64.2624 112.835 72.1271 112.835 197.599 GPRESSURE: 3146400 -302.877 -180.532 -80.2538 -251.792 -31.1486 175.722 132.27 90.5452 203.13 PRESSAVG: 3146400 -59.1261 27.6338 42.534 27.6338 39.7516 19.2217 42.5341 19.2217 -0.157666 GPRESSAVG: 3146400 -59.1136 27.2492 42.9795 32.5509 40.628 18.3285 42.0506 20.6902 -1.3451 TIMING: 3146400 CPU: 10009.2, 0.00315554/step Wall: 10009.2, 0.00315554/step, 1.62475 hours remaining, 240.664062 MB of memory in use. ENERGY: 3146400 4016.9411 20588.8418 14424.1612 239.9499 -203162.5067 2542.8699 0.0000 0.0000 51977.5182 -109372.2247 298.7155 -161349.7430 -109015.6843 299.2592 -73.2444 -43.6319 761604.4724 -6.5107 -6.6103 PRESSURE: 3146600 251.879 -26.7481 -239.686 -26.747 191.577 -31.6593 -239.687 -31.66 108.565 GPRESSURE: 3146600 320.77 8.07211 -193.003 -6.91403 212.447 109.695 -225.123 -31.0648 105.894 PRESSAVG: 3146600 15.3498 -15.5048 -26.2604 -15.5048 10.4755 36.8284 -26.2604 36.8283 1.54004 GPRESSAVG: 3146600 16.4808 -15.4061 -24.5979 -18.3719 9.65567 38.1684 -26.6806 35.6461 1.24678 TIMING: 3146600 CPU: 10009.9, 0.00320563/step Wall: 10009.9, 0.00320563/step, 1.65036 hours remaining, 240.664062 MB of memory in use. ENERGY: 3146600 4084.1864 20416.9844 14409.5956 237.6720 -203194.2585 2502.5705 0.0000 0.0000 52262.7300 -109280.5196 300.3546 -161543.2496 -108922.2264 299.5633 184.0069 213.0372 760950.2830 9.1218 9.1277 PRESSURE: 3146800 -78.643 0.616448 -25.8549 0.615901 163.012 -216.554 -25.8543 -216.553 185.099 GPRESSURE: 3146800 -59.4137 68.7459 -128.783 86.0132 196.933 -282.669 -6.70542 -168.319 217.221 PRESSAVG: 3146800 -22.9644 -20.2007 -9.70331 -20.2006 23.2485 -1.10965 -9.70331 -1.10966 -27.5478 GPRESSAVG: 3146800 -24.9376 -22.5352 -9.87584 -19.415 24.1356 -3.33173 -11.1884 0.512633 -26.2339 TIMING: 3146800 CPU: 10010.5, 0.00318088/step Wall: 10010.5, 0.00318088/step, 1.63745 hours remaining, 240.664062 MB of memory in use. ENERGY: 3146800 3994.1245 20571.1012 14493.4723 236.7675 -203331.5263 2542.4238 0.0000 0.0000 52170.5359 -109323.1011 299.8248 -161493.6370 -108966.9814 299.3727 89.8227 118.2466 760244.5300 -9.0879 -9.0120 PRESSURE: 3147000 -334.54 165.062 -141.262 165.061 11.8715 81.5984 -141.261 81.5982 -127.085 GPRESSURE: 3147000 -323.894 193.244 -114.055 193.388 130.769 56.6534 -191.213 -108.781 -171.184 PRESSAVG: 3147000 -55.6246 11.9869 -48.1287 11.9868 35.4912 16.0007 -48.1287 16.0006 -2.53005 GPRESSAVG: 3147000 -54.1596 14.2067 -48.7154 12.7756 35.717 17.1527 -46.4589 14.1919 -3.38013 TIMING: 3147000 CPU: 10011.1, 0.00321886/step Wall: 10011.1, 0.00321886/step, 1.65682 hours remaining, 240.664062 MB of memory in use. ENERGY: 3147000 3969.7416 20512.2807 14535.5120 242.9951 -203098.4640 2614.1270 0.0000 0.0000 51968.9497 -109254.8578 298.6663 -161223.8076 -108896.4109 299.2739 -149.9179 -121.4366 761146.2838 -7.5545 -7.2742 PRESSURE: 3147200 107.089 255.333 -100.32 255.332 59.9104 105.911 -100.319 105.91 159.243 GPRESSURE: 3147200 153.3 123.308 -117.035 210.874 47.0247 70.7605 -174.073 54.0727 215.487 PRESSAVG: 3147200 0.501776 32.6562 7.9712 32.6562 10.1167 -4.02812 7.97125 -4.02812 2.4882 GPRESSAVG: 3147200 0.348726 32.1766 8.96116 33.5442 9.48071 -3.33469 7.2043 -5.03543 3.34009 TIMING: 3147200 CPU: 10011.8, 0.0031902/step Wall: 10011.8, 0.0031902/step, 1.64189 hours remaining, 240.664062 MB of memory in use. ENERGY: 3147200 4034.5547 20563.6952 14457.2610 243.9833 -203251.6538 2619.6718 0.0000 0.0000 52025.4828 -109307.0049 298.9912 -161332.4877 -108949.5854 300.0113 108.7474 138.6036 760837.9006 4.3689 4.3898 PRESSURE: 3147400 -243.231 69.8677 -75.357 69.8681 -176.481 131.949 -75.357 131.948 236.122 GPRESSURE: 3147400 -198.06 139.343 -89.5753 146.4 -103.993 157.844 104.06 144.714 208.402 PRESSAVG: 3147400 -24.9697 6.06282 -1.46069 6.0628 80.6151 -9.89677 -1.46066 -9.89678 4.25208 GPRESSAVG: 3147400 -24.9064 5.39178 -1.91222 4.28199 80.9295 -9.88516 -1.76611 -9.96379 3.78468 TIMING: 3147400 CPU: 10012.4, 0.00316746/step Wall: 10012.4, 0.00316746/step, 1.63001 hours remaining, 240.664062 MB of memory in use. ENERGY: 3147400 3993.5151 20541.8976 14486.9938 235.5180 -202935.6906 2154.4569 0.0000 0.0000 51988.0426 -109535.2666 298.7760 -161523.3092 -109158.4284 299.6586 -61.1965 -31.2171 761087.5046 19.9658 19.9359 PRESSURE: 3147600 194.758 -68.477 37.8954 -68.4773 -197.317 153.826 37.8953 153.826 -354.874 GPRESSURE: 3147600 295.624 -54.9693 -69.6787 -50.9506 -243.999 150.743 58.2563 114.222 -333.651 PRESSAVG: 3147600 36.902 -15.1808 -5.85281 -15.1807 -8.74566 49.2794 -5.8528 49.2794 1.81837 GPRESSAVG: 3147600 37.9338 -15.4741 -7.38978 -14.1373 -8.79551 48.2725 -3.578 49.4383 1.66888 TIMING: 3147600 CPU: 10013, 0.0031882/step Wall: 10013, 0.0031882/step, 1.6405 hours remaining, 240.664062 MB of memory in use. ENERGY: 3147600 4069.1469 20648.0437 14402.5584 236.0665 -203571.7010 2649.3239 0.0000 0.0000 52160.3139 -109406.2477 299.7660 -161566.5616 -109042.3777 299.1195 -119.1443 -94.0085 761085.4407 9.9916 10.2691 PRESSURE: 3147800 -285.302 9.03762 -151.421 9.03803 21.9799 -147.194 -151.422 -147.193 -195.342 GPRESSURE: 3147800 -272.968 -27.4346 -173.239 46.8685 67.5421 -168.468 -93.1152 -186.598 -167.789 PRESSAVG: 3147800 -35.0861 -2.46047 -0.552508 -2.46052 43.3463 -42.928 -0.552536 -42.928 12.6176 GPRESSAVG: 3147800 -34.43 -1.82033 1.12038 -3.8961 42.4544 -44.8728 -3.91145 -41.0843 13.0361 TIMING: 3147800 CPU: 10013.7, 0.00318437/step Wall: 10013.7, 0.00318437/step, 1.63836 hours remaining, 240.664062 MB of memory in use. ENERGY: 3147800 3989.8407 20776.9104 14448.4731 222.2856 -203291.5230 2396.0627 0.0000 0.0000 51997.3930 -109460.5575 298.8297 -161457.9505 -109099.8981 299.6052 -152.8883 -124.4051 759961.9430 6.9592 7.0202 PRESSURE: 3148000 -591.565 62.0238 -77.9448 62.0235 -211.951 215.721 -77.9447 215.722 -403.593 GPRESSURE: 3148000 -643.092 10.0208 -48.7283 48.313 -110.113 205.481 41.1889 141.785 -345.716 PRESSAVG: 3148000 30.5816 4.70448 -15.7179 4.70447 -9.35297 -17.6782 -15.7179 -17.6782 -7.02603 GPRESSAVG: 3148000 29.1128 5.17481 -15.9524 5.56968 -6.39366 -17.0392 -13.749 -18.1125 -8.18874 TIMING: 3148000 CPU: 10014.3, 0.00315033/step Wall: 10014.3, 0.00315033/step, 1.62067 hours remaining, 240.664062 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: 3148000 4034.6169 20423.4651 14404.5520 264.2907 -203035.5490 2188.5239 0.0000 0.0000 52206.4104 -109513.6901 300.0310 -161720.1005 -109154.8142 299.1609 -402.3697 -366.3070 761139.1159 4.7342 4.8435 PRESSURE: 3148200 102.028 116.97 -152.658 116.97 -91.5871 -57.5518 -152.658 -57.5516 237.21 GPRESSURE: 3148200 228.542 -53.456 -134.151 154.961 -39.1569 -133.23 -159.821 -3.77628 134.881 PRESSAVG: 3148200 -12.7145 -27.8698 -45.2097 -27.8698 -4.71578 -5.45643 -45.2097 -5.45644 -2.44896 GPRESSAVG: 3148200 -12.3493 -26.438 -45.4049 -29.7996 -5.93007 -4.5633 -46.208 -3.84199 -1.93657 TIMING: 3148200 CPU: 10014.9, 0.00318833/step Wall: 10014.9, 0.00318833/step, 1.64004 hours remaining, 240.664062 MB of memory in use. ENERGY: 3148200 3993.1335 20388.5912 14404.1708 255.8847 -203415.6826 2618.1325 0.0000 0.0000 52087.5162 -109668.2537 299.3477 -161755.7699 -109309.4397 299.1568 82.5501 108.0886 761327.0398 -6.6264 -6.7387 LDB: ============= START OF LOAD BALANCING ============== 10027.4 LDB: ============== END OF LOAD BALANCING =============== 10027.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10027.4 LDB: ============= START OF LOAD BALANCING ============== 10027.7 LDB: Largest compute 7070 load 0.035953 is 18.4% of average load 0.195393 LDB: Average compute 0.004355 is 2.2% of average load 0.195393 LDB: TIME 10027.7 LOAD: AVG 0.195393 MAX 0.217627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.961 MB LDB: TIME 10027.7 LOAD: AVG 0.195393 MAX 0.217627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: TIME 10027.7 LOAD: AVG 0.195393 MAX 0.217627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: ============== END OF LOAD BALANCING =============== 10027.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10027.7 PRESSURE: 3148400 162.918 -51.5743 153.128 -51.5742 243.071 -149.436 153.128 -149.436 263.019 GPRESSURE: 3148400 162.615 -97.2141 129.244 57.4842 287.796 -180.675 235.246 -162.046 283.984 PRESSAVG: 3148400 -10.5705 -46.588 -75.5289 -46.588 27.6885 2.13693 -75.5289 2.13683 -5.77488 GPRESSAVG: 3148400 -11.047 -49.4378 -77.4645 -44.5271 26.3203 2.75782 -73.177 -1.06704 -4.41042 TIMING: 3148400 CPU: 10015.6, 0.00325745/step Wall: 10015.6, 0.00325745/step, 1.67541 hours remaining, 240.808594 MB of memory in use. ENERGY: 3148400 3916.6194 20624.5714 14444.9991 246.4635 -203721.6097 2776.7396 0.0000 0.0000 51837.8344 -109874.3824 297.9127 -161712.2168 -109521.0599 299.0309 223.0027 244.7982 759467.0966 3.7810 3.6210 PRESSURE: 3148600 124.544 -205.424 13.9929 -205.424 123.452 -9.479 13.9938 -9.47872 130.944 GPRESSURE: 3148600 127.276 -256.741 62.4264 -128.33 136.964 -21.7192 -17.7505 124.682 186.415 PRESSAVG: 3148600 -1.35596 -8.67736 11.1122 -8.67742 67.8116 3.0979 11.1122 3.09799 -26.4877 GPRESSAVG: 3148600 -1.35986 -7.83741 14.0736 -8.41602 67.8549 3.66774 9.45868 3.57031 -26.0827 TIMING: 3148600 CPU: 10016.2, 0.00317/step Wall: 10016.2, 0.00316999/step, 1.63026 hours remaining, 240.808594 MB of memory in use. ENERGY: 3148600 3898.1008 20644.1278 14420.7308 242.9363 -203097.5990 2369.1140 0.0000 0.0000 51870.3765 -109652.2128 298.0998 -161522.5892 -109287.8184 299.0598 126.3136 150.2185 760794.3637 13.3226 13.4708 PRESSURE: 3148800 47.9293 -190.961 -134.564 -190.96 -302.215 93.3168 -134.564 93.3172 295.475 GPRESSURE: 3148800 32.6594 -207.574 -119.647 -100.315 -216.651 155.042 -161.856 11.0763 319.556 PRESSAVG: 3148800 12.9293 -64.8814 7.45311 -64.8814 36.3945 -20.3281 7.45308 -20.3281 2.67195 GPRESSAVG: 3148800 12.2899 -66.3593 6.28708 -63.4667 36.8879 -21.3631 8.47929 -21.1345 2.52544 TIMING: 3148800 CPU: 10016.9, 0.00319354/step Wall: 10016.9, 0.00319354/step, 1.64219 hours remaining, 240.808594 MB of memory in use. ENERGY: 3148800 3860.8723 20458.0310 14464.2133 241.4931 -203048.8023 2348.2517 0.0000 0.0000 51994.7673 -109681.1736 298.8146 -161675.9409 -109328.4623 299.5085 13.7299 45.1882 760988.6182 17.3319 17.2344 PRESSURE: 3149000 217.549 -140.102 12.9055 -140.102 440 119.683 12.9053 119.684 -119.137 GPRESSURE: 3149000 346.789 -270.817 128.606 -83.2823 388.314 -81.4652 -120.399 169.305 -119.384 PRESSAVG: 3149000 -11.3509 -60.0208 -18.7851 -60.0208 4.42882 2.03932 -18.7851 2.03937 -0.456693 GPRESSAVG: 3149000 -11.6937 -57.5527 -17.4779 -62.0722 5.00461 1.80584 -20.1738 3.15525 -0.796032 TIMING: 3149000 CPU: 10017.5, 0.00319546/step Wall: 10017.5, 0.00319546/step, 1.643 hours remaining, 240.808594 MB of memory in use. ENERGY: 3149000 3993.6909 20412.0597 14469.0432 271.7332 -203177.6491 2464.6710 0.0000 0.0000 51890.9014 -109675.5496 298.2177 -161566.4510 -109315.2851 299.2762 179.4706 205.2397 760442.7122 -2.4596 -2.4950 PRESSURE: 3149200 -226.559 -15.2258 71.1801 -15.2278 -280.375 82.5343 71.1799 82.5348 3.23669 GPRESSURE: 3149200 -140.564 59.6162 47.5484 -64.0207 -243.195 73.233 63.6985 -10.7127 -40.6835 PRESSAVG: 3149200 6.72044 -33.197 46.9406 -33.197 0.058656 22.1148 46.9406 22.1147 -6.17463 GPRESSAVG: 3149200 8.3705 -33.8942 45.935 -33.041 -1.37562 23.5064 47.6508 21.8795 -6.8983 TIMING: 3149200 CPU: 10018.1, 0.00317932/step Wall: 10018.1, 0.00317932/step, 1.63453 hours remaining, 240.808594 MB of memory in use. ENERGY: 3149200 4041.0355 20464.7333 14498.5548 247.5478 -203510.4995 2540.3470 0.0000 0.0000 52220.2917 -109497.9896 300.1107 -161718.2812 -109141.1186 299.2034 -167.8993 -141.4810 760843.4461 0.2015 0.0322 PRESSURE: 3149400 -356.635 20.2479 185.519 20.2479 -284.291 62.792 185.518 62.7911 -456.113 GPRESSURE: 3149400 -353.561 -14.1558 135.5 -127.932 -234.31 28.2653 88.2462 155.613 -420.241 PRESSAVG: 3149400 -59.1369 -45.6799 19.6439 -45.68 35.6553 43.18 19.6439 43.18 2.32734 GPRESSAVG: 3149400 -59.7746 -45.6984 18.7063 -46.4049 35.5511 41.4684 20.0685 43.2236 3.02637 TIMING: 3149400 CPU: 10018.8, 0.00318396/step Wall: 10018.8, 0.00318396/step, 1.63673 hours remaining, 240.808594 MB of memory in use. ENERGY: 3149400 3969.9223 20470.9537 14445.8194 234.5184 -202915.7733 2325.5284 0.0000 0.0000 52182.4302 -109286.6009 299.8931 -161469.0311 -108922.1114 299.4395 -365.6799 -336.0371 761647.5933 -7.0514 -7.0657 PRESSURE: 3149600 -270.498 -73.1616 14.5357 -73.1616 -62.0878 -48.5055 14.537 -48.5047 -241.198 GPRESSURE: 3149600 -221.769 2.98658 78.2585 -128.817 -51.4313 -86.2863 60.8687 49.2298 -223.325 PRESSAVG: 3149600 -10.4945 -40.7521 -22.4863 -40.7521 5.95806 -32.1738 -22.4863 -32.1738 1.88293 GPRESSAVG: 3149600 -9.97217 -40.714 -21.0986 -39.8757 6.0382 -30.3635 -21.5573 -31.227 1.10984 TIMING: 3149600 CPU: 10019.4, 0.00317351/step Wall: 10019.4, 0.00317351/step, 1.63118 hours remaining, 240.808594 MB of memory in use. ENERGY: 3149600 4001.5528 20341.9990 14433.0878 252.7493 -202766.3167 2062.5856 0.0000 0.0000 52292.7442 -109381.5981 300.5271 -161674.3423 -109017.6330 299.8315 -191.2611 -165.5084 760268.8712 -0.8845 -0.9414 PRESSURE: 3149800 -190.838 -105.347 13.1178 -105.347 -397.124 -46.3399 13.1182 -46.3393 -42.6493 GPRESSURE: 3149800 -199.335 -126.47 67.3733 -177.185 -325.017 -39.6538 56.9628 -10.4753 -9.00342 PRESSAVG: 3149800 -2.67585 -3.20008 2.19307 -3.20012 46.2276 -3.25623 2.19305 -3.25626 14.9428 GPRESSAVG: 3149800 -4.08129 -2.89085 1.54601 -2.65908 46.057 -4.23373 0.959625 -4.04139 16.039 TIMING: 3149800 CPU: 10020.1, 0.00317699/step Wall: 10020.1, 0.00317699/step, 1.6328 hours remaining, 240.808594 MB of memory in use. ENERGY: 3149800 3972.6612 20480.2385 14456.5778 256.2550 -202704.5907 2248.8968 0.0000 0.0000 52073.6237 -109216.3377 299.2678 -161289.9615 -108849.1166 299.6608 -210.2037 -177.7851 761521.4893 19.4982 19.3383 PRESSURE: 3150000 112.221 272.62 188.7 272.62 29.9882 -85.5401 188.7 -85.5398 -76.7275 GPRESSURE: 3150000 176.114 150.412 157.708 241.184 40.9645 -86.8159 61.2517 33.1867 -81.5509 PRESSAVG: 3150000 -45.7614 11.7782 -34.4812 11.7782 41.9039 -28.0409 -34.4812 -28.0409 -6.38252 GPRESSAVG: 3150000 -45.867 11.0955 -34.0537 9.88724 42.3521 -26.9802 -33.2176 -27.9599 -7.0984 TIMING: 3150000 CPU: 10020.7, 0.00316335/step Wall: 10020.7, 0.00316335/step, 1.62561 hours remaining, 240.808594 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: 3150000 4104.3623 20508.4716 14416.4935 259.3641 -203166.3666 2627.8870 0.0000 0.0000 51976.9440 -109272.8441 298.7122 -161249.7881 -108923.8880 299.9573 21.8273 45.1758 761820.5893 -3.4133 -3.5378 PRESSURE: 3150200 -117.406 -35.74 167.044 -35.7397 -234.176 -41.861 167.045 -41.8609 -316.187 GPRESSURE: 3150200 -72.355 17.964 226.178 49.2851 -187.84 -31.7093 154.136 104.518 -328.087 PRESSAVG: 3150200 0.94893 -12.5131 -4.16044 -12.513 -12.5127 18.3817 -4.16046 18.3816 -8.99839 GPRESSAVG: 3150200 1.07178 -14.1065 -5.06139 -9.52672 -11.8799 16.5184 -3.55746 19.474 -9.834 TIMING: 3150200 CPU: 10021.3, 0.00314227/step Wall: 10021.3, 0.00314227/step, 1.6146 hours remaining, 240.808594 MB of memory in use. ENERGY: 3150200 3943.8436 20544.6599 14499.6949 256.9448 -203130.4405 2372.7755 0.0000 0.0000 51978.8516 -109533.6702 298.7232 -161512.5218 -109167.5527 299.7133 -222.5898 -196.0938 761664.1177 -6.8540 -6.8807 PRESSURE: 3150400 164.473 -2.97926 46.8981 -2.97925 -49.8035 -202.321 46.8985 -202.321 375.89 GPRESSURE: 3150400 225.581 -73.8221 45.3316 -95.179 17.0536 -231.103 -79.05 -73.1295 329.819 PRESSAVG: 3150400 -0.85548 -7.67777 13.6332 -7.67781 4.02228 -24.9665 13.6332 -24.9665 3.94752 GPRESSAVG: 3150400 -0.976825 -5.77518 16.4036 -10.066 3.49802 -24.0832 10.7912 -25.4905 4.67177 TIMING: 3150400 CPU: 10021.9, 0.00316764/step Wall: 10021.9, 0.00316764/step, 1.62746 hours remaining, 240.808594 MB of memory in use. ENERGY: 3150400 3921.1009 20490.2673 14373.7759 260.1779 -203649.2062 2695.4624 0.0000 0.0000 52208.0106 -109700.4112 300.0402 -161908.4218 -109329.4296 299.0086 163.5197 190.8181 762040.2016 2.3714 2.3977 PRESSURE: 3150600 -11.1911 77.4755 136.072 77.4752 -63.6434 84.3123 136.072 84.3124 -69.2957 GPRESSURE: 3150600 67.8561 91.1894 257.217 191.657 -26.4443 99.9626 25.804 -29.5956 -69.2013 PRESSAVG: 3150600 -18.7235 -4.81584 30.7474 -4.81588 20.6067 -10.4274 30.7474 -10.4274 -15.1123 GPRESSAVG: 3150600 -18.8047 -6.38799 28.3579 -3.75794 20.4541 -10.451 30.8813 -10.8823 -15.2213 TIMING: 3150600 CPU: 10022.6, 0.00317012/step Wall: 10022.6, 0.00317012/step, 1.62856 hours remaining, 240.808594 MB of memory in use. ENERGY: 3150600 3901.4951 20469.9673 14379.0395 244.6561 -202950.3105 2169.0077 0.0000 0.0000 52082.4572 -109703.6876 299.3186 -161786.1448 -109346.9170 298.8957 -48.0434 -9.2632 760804.8808 -4.4097 -4.5239 PRESSURE: 3150800 -170.403 286.908 172.883 286.908 -184.807 129.034 172.883 129.033 -213.85 GPRESSURE: 3150800 -123.36 215.467 159.011 216.923 -190.713 139.993 228.106 68.7432 -169.361 PRESSAVG: 3150800 6.53024 22.8629 29.8499 22.8629 -0.826896 3.95787 29.8499 3.9579 -11.6044 GPRESSAVG: 3150800 6.32406 23.4274 31.8415 21.9982 -0.973562 2.74572 29.0113 4.45302 -11.4643 TIMING: 3150800 CPU: 10023.2, 0.00316833/step Wall: 10023.2, 0.00316833/step, 1.62747 hours remaining, 240.808594 MB of memory in use. ENERGY: 3150800 3942.7610 20325.1555 14468.4766 242.6209 -203098.0784 2384.5721 0.0000 0.0000 52176.4075 -109558.0848 299.8585 -161734.4923 -109190.5877 299.0506 -189.6868 -161.1448 762878.8387 -1.9670 -2.0380 PRESSURE: 3151000 -45.4192 50.3074 -107.02 50.3075 142.898 54.609 -107.02 54.6092 -157.477 GPRESSURE: 3151000 -3.83268 220.886 -116.849 67.1345 221.906 100.627 -102.608 71.0204 -185.436 PRESSAVG: 3151000 -48.8312 59.2874 -61.8871 59.2874 -13.7236 13.8627 -61.8871 13.8626 9.50394 GPRESSAVG: 3151000 -48.0025 60.3018 -62.6757 58.2467 -14.1961 14.5378 -60.5694 12.5724 9.04622 TIMING: 3151000 CPU: 10023.9, 0.00317711/step Wall: 10023.9, 0.00317711/step, 1.6318 hours remaining, 240.808594 MB of memory in use. ENERGY: 3151000 3973.8434 20389.4474 14430.8974 255.8300 -203686.3084 2840.6206 0.0000 0.0000 52292.0330 -109503.6366 300.5230 -161795.6696 -109145.6282 298.7686 -19.9993 10.8789 761039.6502 -17.6836 -17.7174 PRESSURE: 3151200 -187.296 26.9388 252.537 26.938 -469.952 -146.835 252.537 -146.834 -52.0125 GPRESSURE: 3151200 -198.363 -3.62551 249.811 -41.7444 -374.292 -144.94 345.143 16.7753 -50.9901 PRESSAVG: 3151200 -6.51658 -6.71451 -7.35645 -6.71452 49.7131 11.0875 -7.35639 11.0875 1.29468 GPRESSAVG: 3151200 -8.00123 -6.81005 -8.1281 -6.80868 50.243 10.3654 -7.70821 13.0686 2.29191 TIMING: 3151200 CPU: 10024.5, 0.00315898/step Wall: 10024.5, 0.00315898/step, 1.62231 hours remaining, 240.808594 MB of memory in use. ENERGY: 3151200 4008.7291 20461.4727 14424.3067 265.4069 -203015.4028 2490.8216 0.0000 0.0000 51984.5840 -109380.0816 298.7561 -161364.6657 -109022.1665 299.9249 -236.4201 -207.8816 763200.4139 14.8304 14.8445 PRESSURE: 3151400 303.097 203.207 100.32 203.208 19.0177 78.0149 100.321 78.0155 312.416 GPRESSURE: 3151400 393.404 335.274 174.502 128.676 12.5349 -0.24946 25.0658 138.16 314.287 PRESSAVG: 3151400 6.22657 -4.95084 55.0777 -4.95083 -54.308 -51.2071 55.0777 -51.2072 -9.51849 GPRESSAVG: 3151400 6.81594 -5.47346 56.1106 -4.74671 -53.9901 -51.6775 56.3129 -50.1338 -10.3219 TIMING: 3151400 CPU: 10025.1, 0.00318332/step Wall: 10025.1, 0.00318332/step, 1.63464 hours remaining, 240.808594 MB of memory in use. ENERGY: 3151400 3919.4600 20548.5751 14458.2399 262.9366 -203760.9764 2851.8452 0.0000 0.0000 52481.6528 -109238.2668 301.6128 -161719.9196 -108869.5216 299.8193 211.5103 240.0756 759997.2273 -19.2000 -19.1654 PRESSURE: 3151600 -328.557 -44.7004 38.5945 -44.7 -213.287 158.531 38.5946 158.531 -271.694 GPRESSURE: 3151600 -278.025 -29.8823 92.8901 -80.045 -186.858 118.66 29.7389 184.262 -241.41 PRESSAVG: 3151600 2.76679 -11.8482 4.85575 -11.8482 -38.5593 -3.88284 4.85571 -3.88284 -12.1771 GPRESSAVG: 3151600 3.56032 -9.62998 3.57342 -11.9461 -39.9216 -2.79252 5.03617 -4.00974 -11.9334 TIMING: 3151600 CPU: 10025.8, 0.00316663/step Wall: 10025.8, 0.00316663/step, 1.62589 hours remaining, 240.808594 MB of memory in use. ENERGY: 3151600 3980.1443 20615.7455 14426.5624 258.5518 -203333.3507 2603.9526 0.0000 0.0000 51952.8393 -109495.5548 298.5737 -161448.3942 -109135.1835 299.3378 -271.1794 -235.4314 763124.7940 -15.9899 -16.0982 PRESSURE: 3151800 52.1967 139.806 -48.973 139.806 163.106 315.377 -48.9731 315.378 -63.7089 GPRESSURE: 3151800 51.165 133.104 -32.9229 62.0432 203.364 251.901 -36.0628 337.224 -10.7787 PRESSAVG: 3151800 -6.34402 -5.07848 -25.5987 -5.07848 17.1413 13.8062 -25.5987 13.8062 4.10009 GPRESSAVG: 3151800 -5.9201 -6.95543 -25.0436 -4.26487 17.6218 12.9737 -26.0413 12.701 2.86085 TIMING: 3151800 CPU: 10026.4, 0.00317331/step Wall: 10026.4, 0.00317331/step, 1.62914 hours remaining, 240.808594 MB of memory in use. ENERGY: 3151800 3976.9698 20501.8779 14450.2197 234.3737 -203250.2304 2656.6649 0.0000 0.0000 52056.6703 -109373.4541 299.1704 -161430.1244 -109024.7149 299.3738 50.5313 81.2500 761932.8055 4.9658 4.8542 PRESSURE: 3152000 139.664 -19.3823 -47.0721 -19.3817 157.641 237.03 -47.0723 237.031 -213.811 GPRESSURE: 3152000 159.111 110.907 -61.1169 -22.9699 133.349 252.497 15.9681 50.8318 -118.959 PRESSAVG: 3152000 -11.4147 -5.28248 -33.1422 -5.28242 29.1252 71.5447 -33.1421 71.5447 2.57405 GPRESSAVG: 3152000 -12.6117 -4.6113 -33.2478 -6.08487 28.698 71.8683 -33.7865 70.0201 4.33639 TIMING: 3152000 CPU: 10027, 0.00316789/step Wall: 10027, 0.00316789/step, 1.62618 hours remaining, 240.808594 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: 3152000 3976.2533 20469.5020 14448.5863 251.0855 -203302.4103 2660.9272 0.0000 0.0000 51984.6872 -109511.3687 298.7567 -161496.0559 -109148.2929 299.9136 27.8311 57.8334 763366.2808 6.7615 6.8076 PRESSURE: 3152200 -48.1606 241.924 -14.7785 241.924 -116.417 -124.885 -14.7784 -124.886 156.369 GPRESSURE: 3152200 28.9249 281.488 -91.1783 237.349 -49.5907 -73.2201 130.153 -81.9713 91.2767 PRESSAVG: 3152200 34.1104 30.212 -22.1808 30.212 -26.0442 27.0416 -22.1808 27.0414 -4.73837 GPRESSAVG: 3152200 34.3897 28.1827 -23.1774 32.3615 -24.9911 27.1802 -22.4197 25.8097 -5.751 TIMING: 3152200 CPU: 10027.7, 0.00315489/step Wall: 10027.7, 0.00315489/step, 1.61933 hours remaining, 240.808594 MB of memory in use. ENERGY: 3152200 3901.5925 20755.7374 14444.1683 235.1305 -203068.0991 2349.7200 0.0000 0.0000 51815.6547 -109566.0956 297.7853 -161381.7503 -109211.6621 299.1431 -2.7363 23.5370 761347.3008 1.1093 1.2159 LDB: ============= START OF LOAD BALANCING ============== 10040.1 LDB: ============== END OF LOAD BALANCING =============== 10040.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10040.1 LDB: ============= START OF LOAD BALANCING ============== 10040.4 LDB: Largest compute 7034 load 0.036295 is 18.6% of average load 0.195355 LDB: Average compute 0.004365 is 2.2% of average load 0.195355 LDB: TIME 10040.4 LOAD: AVG 0.195355 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.652 MB LDB: TIME 10040.4 LOAD: AVG 0.195355 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.652 MB LDB: TIME 10040.4 LOAD: AVG 0.195355 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.652 MB LDB: ============== END OF LOAD BALANCING =============== 10040.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10040.4 PRESSURE: 3152400 -392.949 133.859 -4.89312 133.858 -152.803 -81.5332 -4.8931 -81.5328 -416.688 GPRESSURE: 3152400 -261.019 153.459 -21.939 213.571 -132.512 -102.802 -36.6091 -142.601 -483.99 PRESSAVG: 3152400 35.0266 21.6633 3.83394 21.6633 -5.08589 -30.9072 3.83399 -30.9072 9.70629 GPRESSAVG: 3152400 34.3955 21.0105 4.85366 21.3158 -6.02246 -30.0609 4.62518 -27.9531 10.791 TIMING: 3152400 CPU: 10028.3, 0.00324468/step Wall: 10028.3, 0.00324468/step, 1.66524 hours remaining, 240.808594 MB of memory in use. ENERGY: 3152400 4009.5430 20720.5937 14429.0160 230.4571 -203258.6315 2215.8997 0.0000 0.0000 52050.0705 -109603.0515 299.1325 -161653.1220 -109246.0027 299.2887 -320.8135 -292.5072 761940.3718 13.2157 13.0547 PRESSURE: 3152600 210.489 -168.123 197.839 -168.123 -201.672 210.132 197.841 210.13 -227.447 GPRESSURE: 3152600 224.807 -123.385 207.047 -119.896 -156.004 219.88 109.59 92.9334 -183.678 PRESSAVG: 3152600 3.48334 -7.589 10.2512 -7.58897 4.60467 -25.132 10.2512 -25.132 -12.1597 GPRESSAVG: 3152600 3.9829 -5.1583 9.97146 -10.7243 5.01381 -25.3488 10.8111 -28.2772 -13.2589 TIMING: 3152600 CPU: 10028.9, 0.00316641/step Wall: 10028.9, 0.00316641/step, 1.6249 hours remaining, 241.011719 MB of memory in use. ENERGY: 3152600 4019.6844 20286.0084 14371.7484 250.0886 -203694.1814 2658.7140 0.0000 0.0000 52268.4112 -109839.5262 300.3873 -162107.9374 -109482.4913 299.1852 -72.8770 -38.2914 760280.4199 -1.3572 -1.4207 PRESSURE: 3152800 -119.475 67.9006 -68.2583 67.9011 -239.562 6.81822 -68.2577 6.8179 -183.109 GPRESSURE: 3152800 -153.616 27.9046 -43.4747 -7.90441 -130.902 39.9371 -25.5402 -10.6222 -170.478 PRESSAVG: 3152800 -8.00791 42.6788 34.7758 42.6788 -9.5924 -19.1805 34.7758 -19.1806 -1.48534 GPRESSAVG: 3152800 -8.70879 43.6169 35.4038 44.5715 -10.4459 -20.6032 32.8585 -17.9208 -0.413589 TIMING: 3152800 CPU: 10029.6, 0.00313554/step Wall: 10029.6, 0.00313554/step, 1.60888 hours remaining, 241.011719 MB of memory in use. ENERGY: 3152800 3982.9468 20489.1644 14452.4169 243.8697 -203839.9579 2909.0565 0.0000 0.0000 52084.2697 -109678.2339 299.3290 -161762.5036 -109320.3975 299.0692 -180.7153 -151.6651 760463.2433 -6.3619 -6.5228 PRESSURE: 3153000 -148.911 12.8002 -37.306 12.8001 -84.0566 89.1769 -37.3054 89.1771 -46.6633 GPRESSURE: 3153000 -179.723 31.2211 -37.9751 81.9577 -39.6846 21.3122 -4.54445 176.169 29.9087 PRESSAVG: 3153000 -19.2798 -6.8268 33.8636 -6.8268 -21.4073 35.7652 33.8636 35.7652 1.14857 GPRESSAVG: 3153000 -19.3421 -8.92668 31.9106 -6.84571 -21.1661 37.8981 35.3569 35.0001 1.06271 TIMING: 3153000 CPU: 10030.2, 0.00314115/step Wall: 10030.2, 0.00314115/step, 1.61159 hours remaining, 241.011719 MB of memory in use. ENERGY: 3153000 4052.2925 20406.5895 14358.8980 239.4070 -203249.6241 2418.1184 0.0000 0.0000 51995.8949 -109778.4237 298.8211 -161774.3187 -109417.6332 298.7006 -93.2101 -63.1663 763217.6064 -13.1795 -13.1485 PRESSURE: 3153200 579.756 98.0972 -256.331 98.0965 421.324 -63.0299 -256.331 -63.03 423.112 GPRESSURE: 3153200 685.55 78.835 -285.599 -93.429 361.468 -86.5919 -373.432 -40.1622 452.765 PRESSAVG: 3153200 -19.0355 -53.1798 8.58151 -53.1799 6.18335 -21.8515 8.58152 -21.8516 -9.56924 GPRESSAVG: 3153200 -18.522 -51.5375 9.88145 -53.1926 5.58664 -24.3992 8.4736 -19.9496 -9.83448 TIMING: 3153200 CPU: 10030.8, 0.00314431/step Wall: 10030.8, 0.00314431/step, 1.61303 hours remaining, 241.011719 MB of memory in use. ENERGY: 3153200 3976.3010 20305.2747 14441.7823 224.6927 -203472.3999 2785.7534 0.0000 0.0000 52045.5848 -109693.0109 299.1067 -161738.5957 -109330.5779 298.6339 474.7307 499.9277 760439.9946 -7.4738 -7.5900 PRESSURE: 3153400 314.971 247.919 223.052 247.917 -362.527 -257.207 223.052 -257.206 -113.128 GPRESSURE: 3153400 239.514 145.227 172.642 232.842 -184.707 -215.925 3.74707 -301.253 -146.415 PRESSAVG: 3153400 -7.52658 3.98599 41.3939 3.986 4.69746 -71.3807 41.3939 -71.3808 5.13376 GPRESSAVG: 3153400 -7.60966 4.14916 41.8206 3.71088 5.79637 -69.9693 40.6762 -72.9059 4.3111 TIMING: 3153400 CPU: 10031.5, 0.00316111/step Wall: 10031.5, 0.00316111/step, 1.62147 hours remaining, 241.011719 MB of memory in use. ENERGY: 3153400 3987.3333 20551.8050 14440.5765 259.1637 -203633.1064 2703.1255 0.0000 0.0000 52180.2414 -109510.8609 299.8806 -161691.1024 -109159.3402 299.1711 -53.5615 -30.5359 760607.4684 0.7682 0.8326 PRESSURE: 3153600 121.903 4.03034 143.18 4.03019 -118.532 -167.888 143.18 -167.889 -139.747 GPRESSURE: 3153600 110.07 107.972 73.4535 47.7675 -155.519 -223.149 84.1563 -80.0137 8.15769 PRESSAVG: 3153600 63.0128 -1.00624 15.6808 -1.00616 -53.8954 -27.8915 15.6808 -27.8914 -7.86222 GPRESSAVG: 3153600 63.1994 -2.44869 13.4794 3.08458 -55.1092 -26.871 17.2428 -27.9606 -6.9612 TIMING: 3153600 CPU: 10032.1, 0.00312926/step Wall: 10032.1, 0.00312926/step, 1.60496 hours remaining, 241.011719 MB of memory in use. ENERGY: 3153600 4059.3349 20374.7004 14418.9675 255.8778 -203172.3295 2312.7926 0.0000 0.0000 52114.5118 -109636.1445 299.5028 -161750.6563 -109272.8715 299.2950 -45.4589 -12.4305 760563.6872 0.4184 0.3763 PRESSURE: 3153800 -62.9852 -7.35305 -66.7093 -7.35281 -39.6327 21.4213 -66.7088 21.42 -104.184 GPRESSURE: 3153800 -80.6671 134.596 -72.9286 26.191 22.189 17.9248 -68.7823 32.9606 -34.8348 PRESSAVG: 3153800 -5.8038 26.66 24.1593 26.66 -2.48156 -36.8026 24.1593 -36.8026 -18.1444 GPRESSAVG: 3153800 -6.4487 26.4111 25.9689 24.061 -1.68685 -37.3224 24.5598 -34.8949 -18.6853 TIMING: 3153800 CPU: 10032.7, 0.00315946/step Wall: 10032.7, 0.00315946/step, 1.62027 hours remaining, 241.011719 MB of memory in use. ENERGY: 3153800 4028.8508 20542.8320 14409.7873 234.0857 -203213.3890 2342.4925 0.0000 0.0000 52207.0236 -109448.3171 300.0345 -161655.3407 -109089.9346 299.3778 -68.9341 -31.1043 760390.4540 -8.8099 -8.9403 PRESSURE: 3154000 170.735 46.6314 10.4261 46.6311 299.179 6.35042 10.4261 6.34945 1.15721 GPRESSURE: 3154000 148.951 68.5883 6.78978 140.155 286.07 -59.801 115.249 87.2681 93.1895 PRESSAVG: 3154000 31.4333 -33.5546 9.2945 -33.5546 -34.0415 15.6435 9.29454 15.6435 -13.1029 GPRESSAVG: 3154000 31.8767 -33.4588 9.57987 -33.4606 -35.0574 13.4842 7.54769 14.4347 -12.8677 TIMING: 3154000 CPU: 10033.3, 0.00318784/step Wall: 10033.3, 0.00318784/step, 1.63466 hours remaining, 241.011719 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: 3154000 3960.9032 20490.5599 14500.5813 239.2386 -203241.7826 2444.7993 0.0000 0.0000 52395.8642 -109209.8362 301.1198 -161605.7004 -108844.4597 299.9774 157.0236 176.0700 760373.5218 -5.2370 -5.3495 PRESSURE: 3154200 54.4939 -49.5757 -127.375 -49.5767 -393.143 -82.0499 -127.375 -82.0505 93.516 GPRESSURE: 3154200 -10.6563 27.1192 -99.3411 -21.2581 -293.705 -120.256 -39.0037 -62.4763 124.897 PRESSAVG: 3154200 64.7519 -66.7326 -1.18334 -66.7326 -19.662 37.1518 -1.18329 37.1519 4.43558 GPRESSAVG: 3154200 64.3719 -66.615 -0.619482 -68.5032 -18.0143 39.4259 -0.714308 37.6916 3.56864 TIMING: 3154200 CPU: 10034, 0.00315644/step Wall: 10034, 0.00315644/step, 1.61838 hours remaining, 241.011719 MB of memory in use. ENERGY: 3154200 4022.8126 20574.0343 14457.2951 245.6811 -203438.1705 2526.9337 0.0000 0.0000 52351.1298 -109260.2840 300.8627 -161611.4138 -108893.8056 299.8508 -81.7111 -59.8215 760146.5442 16.5085 16.6421 PRESSURE: 3154400 4.33706 191.002 182.09 191.002 298.526 -9.17364 182.091 -9.17198 79.8841 GPRESSURE: 3154400 77.2755 226.394 114.135 300.009 300.035 -52.1881 104.228 -33.5586 61.2147 PRESSAVG: 3154400 -7.10393 20.2099 17.1398 20.2099 9.4492 54.7428 17.1398 54.7428 0.728512 GPRESSAVG: 3154400 -5.38249 19.4484 16.0646 20.9392 8.56699 53.0231 17.5898 51.8923 0.401064 TIMING: 3154400 CPU: 10034.6, 0.00317181/step Wall: 10034.6, 0.00317181/step, 1.62608 hours remaining, 241.011719 MB of memory in use. ENERGY: 3154400 3928.9920 20503.9754 14384.0657 228.0285 -203187.4260 2464.0152 0.0000 0.0000 52146.9847 -109531.3644 299.6894 -161678.3491 -109174.0476 299.7071 127.5823 146.1751 760411.7910 1.0246 1.1952 PRESSURE: 3154600 -110.239 -72.7692 150.965 -72.769 -74.221 -5.77385 150.964 -5.77371 -80.5126 GPRESSURE: 3154600 -151.159 -188.363 54.8984 -15.3933 -38.9313 4.05111 157.758 36.0521 8.87658 PRESSAVG: 3154600 2.06381 -32.2838 -61.9667 -32.2838 50.3471 4.69064 -61.9668 4.69062 5.7831 GPRESSAVG: 3154600 1.40056 -29.4317 -60.7699 -30.9492 50.1676 5.87164 -64.0588 8.87009 7.08681 TIMING: 3154600 CPU: 10035.2, 0.00315713/step Wall: 10035.2, 0.00315713/step, 1.61838 hours remaining, 241.011719 MB of memory in use. ENERGY: 3154600 4007.0425 20561.6496 14409.6867 245.8948 -203209.1715 2427.3727 0.0000 0.0000 51947.1206 -109610.4046 298.5408 -161557.5252 -109255.5139 298.9227 -88.3241 -60.4046 761941.2929 19.3980 19.5517 PRESSURE: 3154800 -77.2879 -165.522 -187.739 -165.523 -194.508 -151.5 -187.738 -151.497 99.8538 GPRESSURE: 3154800 -23.1727 -59.9559 -206.658 -164.214 -132.48 -170.993 -299.74 -197.604 73.2955 PRESSAVG: 3154800 27.9276 -12.1763 4.93631 -12.1763 -42.7513 -26.9085 4.93633 -26.9085 19.7634 GPRESSAVG: 3154800 28.6098 -14.2144 3.39887 -12.3724 -43.3305 -27.6522 6.30344 -29.2966 19.6747 TIMING: 3154800 CPU: 10035.9, 0.0031442/step Wall: 10035.9, 0.0031442/step, 1.61158 hours remaining, 241.066406 MB of memory in use. ENERGY: 3154800 4019.9095 20524.2780 14422.9829 251.7860 -203287.8448 2409.8576 0.0000 0.0000 51833.8435 -109825.1873 297.8898 -161659.0308 -109469.6586 298.8932 -57.3142 -27.4524 761647.9730 1.6465 1.6513 PRESSURE: 3155000 -93.5771 298.162 340.298 298.162 0.944688 -218.405 340.298 -218.404 51.8245 GPRESSURE: 3155000 -102.792 220.53 288.533 232.875 28.1789 -251.225 270.766 -144.772 102.52 PRESSAVG: 3155000 -24.7654 -44.1014 -25.9631 -44.1014 -2.84105 19.208 -25.9631 19.2081 -9.10761 GPRESSAVG: 3155000 -24.1859 -44.9833 -26.0931 -43.8121 -2.52002 21.3432 -26.331 17.7626 -10.107 TIMING: 3155000 CPU: 10036.5, 0.00314843/step Wall: 10036.5, 0.00314843/step, 1.61357 hours remaining, 241.066406 MB of memory in use. ENERGY: 3155000 3923.6039 20426.4711 14391.9977 265.5203 -203001.7723 2086.4744 0.0000 0.0000 52011.2101 -109896.4949 298.9091 -161907.7050 -109526.5619 298.6026 -13.6026 9.3021 760437.3695 -12.2380 -12.2709 PRESSURE: 3155200 106.434 194.237 -140.977 194.237 90.6782 254.85 -140.978 254.849 561.056 GPRESSURE: 3155200 105.011 180.967 -123.306 161.908 181.786 405.887 -66.3138 196.246 559.928 PRESSAVG: 3155200 0.581155 -6.99362 -28.9786 -6.99363 -8.02536 -29.7438 -28.9785 -29.7438 7.72503 GPRESSAVG: 3155200 -0.443037 -5.36169 -28.7255 -7.45303 -6.45659 -29.9853 -27.8337 -30.2352 7.83117 TIMING: 3155200 CPU: 10037.1, 0.00315592/step Wall: 10037.1, 0.00315592/step, 1.61723 hours remaining, 241.066406 MB of memory in use. ENERGY: 3155200 3992.1122 20376.2289 14426.9385 250.2603 -203894.7204 2727.7903 0.0000 0.0000 52296.7589 -109824.6313 300.5502 -162121.3902 -109454.1678 298.9517 252.7227 282.2415 759340.2738 0.0936 0.3105 PRESSURE: 3155400 -115.97 -117.293 -93.559 -117.292 189.09 -156.257 -93.5597 -156.257 -174.178 GPRESSURE: 3155400 17.4103 -112.659 -35.9728 -109.162 125.777 -140.707 -65.1409 -143.497 -159.646 PRESSAVG: 3155400 86.7045 -42.4256 12.9491 -42.4256 -49.6223 -82.9131 12.9491 -82.913 13.4596 GPRESSAVG: 3155400 88.1835 -42.3276 14.1222 -43.2092 -51.1479 -83.8697 12.0657 -81.6159 13.6 TIMING: 3155400 CPU: 10037.8, 0.00316305/step Wall: 10037.8, 0.00316305/step, 1.62071 hours remaining, 241.066406 MB of memory in use. ENERGY: 3155400 3976.2026 20537.1638 14472.0593 255.7239 -203729.4951 2468.3999 0.0000 0.0000 52385.6147 -109634.3308 301.0608 -162019.9455 -109267.0469 299.4835 -33.6864 -5.4862 759918.1784 16.8473 16.8785 PRESSURE: 3155600 -214.316 143.537 76.9326 143.536 160.057 -264.889 76.9334 -264.889 -400.031 GPRESSURE: 3155600 -121.549 64.9174 83.137 21.287 98.2805 -316.239 64.9221 -111.44 -349.064 PRESSAVG: 3155600 14.7893 -78.5805 12.5903 -78.5806 -15.685 -44.7206 12.5902 -44.7206 8.50466 GPRESSAVG: 3155600 15.0425 -79.1621 11.4793 -79.2588 -16.0131 -45.0607 12.0775 -44.2406 8.47771 TIMING: 3155600 CPU: 10038.4, 0.00319544/step Wall: 10038.4, 0.00319544/step, 1.63713 hours remaining, 241.066406 MB of memory in use. ENERGY: 3155600 4055.1610 20449.9371 14403.5981 255.2673 -203213.7020 2533.0960 0.0000 0.0000 51960.7160 -109555.9265 298.6189 -161516.6425 -109196.4062 299.4946 -151.4299 -124.1109 760798.0992 2.5363 2.5024 PRESSURE: 3155800 -147.091 -30.3782 116.021 -30.3787 256.257 -62.6767 116.021 -62.6777 174.082 GPRESSURE: 3155800 -56.1259 -26.058 153.524 -45.3273 270.949 -22.324 60.4429 -75.7121 135.574 PRESSAVG: 3155800 51.3444 -57.4609 -7.04005 -57.461 -72.6605 -27.2691 -7.04006 -27.269 -30.5552 GPRESSAVG: 3155800 50.6895 -57.4344 -7.73256 -54.2389 -71.8957 -27.7436 -3.89595 -27.292 -30.9404 TIMING: 3155800 CPU: 10039, 0.00318523/step Wall: 10039, 0.00318523/step, 1.63172 hours remaining, 241.066406 MB of memory in use. ENERGY: 3155800 3998.9725 20540.8663 14457.6873 233.9458 -203320.6750 2585.6840 0.0000 0.0000 52181.6880 -109321.8313 299.8889 -161503.5192 -108964.3698 299.4966 94.4159 116.7992 760351.6339 -17.2904 -17.3822 PRESSURE: 3156000 -135.713 -28.2446 26.9349 -28.2441 -165.4 340.348 26.9355 340.346 -299.879 GPRESSURE: 3156000 -124.11 -10.6809 -118.485 -46.6659 -83.8073 249.685 170.88 300.562 -300.728 PRESSAVG: 3156000 -31.0978 -37.7268 1.32423 -37.7268 -19.4258 4.24655 1.32416 4.24646 1.44048 GPRESSAVG: 3156000 -31.3977 -37.9819 3.21849 -41.5175 -19.2215 4.79395 -0.577218 2.95009 1.84459 TIMING: 3156000 CPU: 10039.7, 0.00316055/step Wall: 10039.7, 0.00316055/step, 1.6189 hours remaining, 241.066406 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: 3156000 4009.9666 20589.8172 14522.5424 256.5598 -203170.1292 2535.1297 0.0000 0.0000 52165.3301 -109090.7835 299.7949 -161256.1136 -108731.3178 300.3504 -200.3305 -169.5486 760671.3950 -16.3611 -16.2582 PRESSURE: 3156200 -24.3961 73.8123 79.2069 73.8114 177.258 -133.503 79.2068 -133.504 -355.631 GPRESSURE: 3156200 42.7164 137.234 198.297 75.6253 237.176 37.656 55.531 -108.424 -384.932 PRESSAVG: 3156200 4.27543 -10.1541 17.7279 -10.1541 44.4572 -55.4619 17.7279 -55.4618 7.0819 GPRESSAVG: 3156200 4.73873 -10.2736 17.2309 -10.4902 44.6118 -55.107 18.3223 -54.7849 6.96251 TIMING: 3156200 CPU: 10040.3, 0.00317011/step Wall: 10040.3, 0.00317011/step, 1.62362 hours remaining, 241.066406 MB of memory in use. ENERGY: 3156200 4059.2247 20652.8930 14498.0581 262.0136 -202717.8113 2232.6897 0.0000 0.0000 51917.9153 -109095.0169 298.3730 -161012.9322 -108742.0273 300.4735 -67.5897 -35.0133 760491.0459 18.6049 18.7710 LDB: ============= START OF LOAD BALANCING ============== 10052.8 LDB: ============== END OF LOAD BALANCING =============== 10052.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10052.8 LDB: ============= START OF LOAD BALANCING ============== 10053.1 LDB: Largest compute 7070 load 0.037069 is 19.0% of average load 0.195400 LDB: Average compute 0.004389 is 2.2% of average load 0.195400 LDB: TIME 10053.1 LOAD: AVG 0.1954 MAX 0.213708 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10053.1 LOAD: AVG 0.1954 MAX 0.213708 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 10053.1 LOAD: AVG 0.1954 MAX 0.213708 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 10053.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10053.1 PRESSURE: 3156400 -42.2075 154.762 -199.455 154.761 16.8397 128.669 -199.455 128.669 138.161 GPRESSURE: 3156400 9.09573 123.27 -166.26 99.229 102.504 72.2945 -133.369 209.713 94.9518 PRESSAVG: 3156400 -16.1756 -71.1804 8.85175 -71.1805 17.3994 43.166 8.85176 43.1659 12.9491 GPRESSAVG: 3156400 -17.0364 -71.4763 9.8068 -69.818 17.6188 42.5715 8.47276 42.8374 13.8337 TIMING: 3156400 CPU: 10041, 0.00323501/step Wall: 10041, 0.00323501/step, 1.65669 hours remaining, 241.062500 MB of memory in use. ENERGY: 3156400 3998.4245 20356.9593 14425.3416 248.8772 -203439.9735 2766.1038 0.0000 0.0000 52451.0576 -109193.2095 301.4369 -161644.2670 -108832.5692 299.9806 37.5978 68.8505 758476.2840 4.7243 4.8054 PRESSURE: 3156600 -143.234 44.7319 -35.7457 44.7324 -39.0585 -2.00256 -35.7459 -2.00173 -148.612 GPRESSURE: 3156600 -85.4934 -9.18535 -1.02526 -72.7045 -55.9501 18.5173 -64.1542 10.7708 -104.274 PRESSAVG: 3156600 0.96042 -71.7268 3.49773 -71.7268 -17.1544 -3.55231 3.4978 -3.55235 -2.95554 GPRESSAVG: 3156600 2.25352 -72.2494 3.09623 -71.8422 -18.6122 -2.12152 2.54511 -3.05669 -2.83647 TIMING: 3156600 CPU: 10041.6, 0.00316521/step Wall: 10041.6, 0.00316521/step, 1.62076 hours remaining, 241.062500 MB of memory in use. ENERGY: 3156600 3982.5502 20459.1930 14374.3234 274.6783 -202925.9960 2172.1572 0.0000 0.0000 52319.4483 -109343.6456 300.6806 -161663.0939 -108969.3806 299.8402 -110.3015 -81.9057 759900.9497 -6.3832 -6.3984 PRESSURE: 3156800 -8.49284 63.6752 11.259 63.6759 -89.5679 -87.7502 11.2591 -87.751 -2.80255 GPRESSURE: 3156800 65.8547 37.938 27.5646 119.021 -62.8776 -34.247 25.7729 13.5524 -27.8771 PRESSAVG: 3156800 4.71982 -84.6831 -28.5551 -84.6831 -4.72004 -23.8742 -28.555 -23.8742 9.68741 GPRESSAVG: 3156800 3.74165 -83.4165 -29.305 -84.0348 -3.54171 -25.8109 -28.1615 -22.549 9.22916 TIMING: 3156800 CPU: 10042.2, 0.00317018/step Wall: 10042.2, 0.00317018/step, 1.62313 hours remaining, 241.062500 MB of memory in use. ENERGY: 3156800 3984.5911 20635.1193 14399.3003 240.4872 -203184.8774 2339.0832 0.0000 0.0000 52243.6317 -109342.6646 300.2449 -161586.2963 -108978.0577 300.2233 -33.6211 -8.3000 760068.7825 3.2291 3.1430 PRESSURE: 3157000 -111.253 62.4433 42.9198 62.4437 -6.06119 -162.99 42.9205 -162.99 121.127 GPRESSURE: 3157000 -117.562 65.7346 80.0473 45.4036 51.0399 -169.975 2.05521 -90.1479 148.606 PRESSAVG: 3157000 2.52856 -60.4802 7.75953 -60.4803 26.8557 9.23541 7.75952 9.23539 -10.7289 GPRESSAVG: 3157000 2.66879 -61.5119 8.93476 -60.2555 28.3885 11.2923 8.62186 6.75741 -12.0217 TIMING: 3157000 CPU: 10042.9, 0.00316996/step Wall: 10042.9, 0.00316996/step, 1.62284 hours remaining, 241.062500 MB of memory in use. ENERGY: 3157000 4009.3997 20486.7326 14410.4634 273.8103 -203030.9429 2212.8745 0.0000 0.0000 52226.2479 -109411.4146 300.1450 -161637.6625 -109051.0149 299.8525 1.2709 27.3613 760566.3693 6.2184 6.3452 PRESSURE: 3157200 12.4282 -157.579 320.574 -157.579 20.1782 -248.727 320.574 -248.727 23.8914 GPRESSURE: 3157200 -1.50826 -82.2725 402.994 -281.491 48.2117 -283.812 215.743 -187.754 83.9287 PRESSAVG: 3157200 43.4169 -67.496 69.8176 -67.496 -13.7609 -23.7673 69.8176 -23.7674 35.9101 GPRESSAVG: 3157200 44.3063 -65.9943 68.5721 -68.1623 -16.7367 -24.8786 68.9347 -22.0436 37.5575 TIMING: 3157200 CPU: 10043.5, 0.00316993/step Wall: 10043.5, 0.00316993/step, 1.62265 hours remaining, 241.062500 MB of memory in use. ENERGY: 3157200 4012.3792 20578.4193 14438.6450 230.8937 -203229.9259 2493.7669 0.0000 0.0000 52128.8866 -109346.9352 299.5854 -161475.8218 -108991.0321 299.4096 18.8326 43.5441 759531.1248 21.8554 21.7090 PRESSURE: 3157400 -436.568 130.435 -262.569 130.435 161.43 -33.8227 -262.569 -33.8237 207.623 GPRESSURE: 3157400 -412.092 97.5013 -157.147 27.4804 261.83 -98.6383 -256.915 -33.824 186.851 PRESSAVG: 3157400 -6.23195 7.81117 70.2799 7.81117 6.27646 -27.6467 70.2798 -27.6467 -22.197 GPRESSAVG: 3157400 -7.40079 7.35966 70.4162 7.11138 7.02875 -27.7009 68.7921 -29.2542 -21.8675 TIMING: 3157400 CPU: 10044.1, 0.00317018/step Wall: 10044.1, 0.00317018/step, 1.6226 hours remaining, 241.062500 MB of memory in use. ENERGY: 3157400 3965.4375 20596.2832 14446.0637 249.1312 -203116.8916 2407.7198 0.0000 0.0000 52093.4050 -109358.8511 299.3815 -161452.2562 -109010.0832 299.5662 -22.5051 12.1966 760689.0571 -7.3842 -7.4132 PRESSURE: 3157600 -113.063 181.743 -157.551 181.743 22.7197 -72.9708 -157.551 -72.9709 261.081 GPRESSURE: 3157600 -108.117 154.556 -232.872 181.712 30.6506 -97.094 -232.976 -142.813 338.412 PRESSAVG: 3157600 -1.98749 -59.6421 18.8891 -59.6422 8.33757 -56.0678 18.8891 -56.0678 -21.1493 GPRESSAVG: 3157600 -0.694564 -60.0184 19.024 -59.3208 9.78284 -56.7913 20.3213 -55.4146 -23.694 TIMING: 3157600 CPU: 10044.8, 0.00317899/step Wall: 10044.8, 0.00317899/step, 1.62693 hours remaining, 241.062500 MB of memory in use. ENERGY: 3157600 4066.2885 20431.6027 14471.5443 270.4981 -203723.7707 2765.4687 0.0000 0.0000 52535.7026 -109182.6658 301.9234 -161718.3684 -108812.0464 299.6863 56.9126 86.9820 758724.8928 -4.9331 -4.8686 PRESSURE: 3157800 -507.111 -174.988 -59.5983 -174.988 -14.8641 18.2457 -59.5982 18.2453 127.044 GPRESSURE: 3157800 -455.16 -94.4946 -176.318 -182.904 12.1934 -82.9484 1.82715 110.973 139.466 PRESSAVG: 3157800 -13.3949 -13.2062 -11.1991 -13.2062 -12.0306 -65.0444 -11.1991 -65.0443 13.8858 GPRESSAVG: 3157800 -13.4792 -13.4203 -11.2256 -13.0725 -14.141 -64.8322 -12.2292 -65.0448 15.6107 TIMING: 3157800 CPU: 10045.4, 0.00316457/step Wall: 10045.4, 0.00316457/step, 1.61938 hours remaining, 241.062500 MB of memory in use. ENERGY: 3157800 4008.1961 20471.6667 14516.7940 250.4750 -202919.9670 2172.9568 0.0000 0.0000 52168.9107 -109330.9676 299.8154 -161499.8783 -108965.0204 300.1715 -131.6436 -101.1668 761768.3838 -3.8466 -4.0032 PRESSURE: 3158000 27.9616 78.3836 300.006 78.383 72.67 8.36492 300.007 8.36505 -343.337 GPRESSURE: 3158000 146.372 86.6222 348.29 -23.1796 -34.9654 70.0479 238.272 5.89957 -263.125 PRESSAVG: 3158000 33.4707 -15.1858 11.3517 -15.1858 -58.9477 0.884742 11.3518 0.884695 9.4618 GPRESSAVG: 3158000 32.8272 -15.9526 9.78416 -14.9264 -58.6059 1.36045 14.3861 -0.730673 9.89027 TIMING: 3158000 CPU: 10046, 0.00316068/step Wall: 10046, 0.00316068/step, 1.61722 hours remaining, 241.062500 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: 3158000 4026.9564 20546.8817 14470.3868 246.4655 -202935.5445 2310.2951 0.0000 0.0000 51874.0576 -109460.5013 298.1209 -161334.5590 -109107.5019 299.0371 -80.9018 -50.5726 761851.5374 -5.3384 -5.2962 PRESSURE: 3158200 413.206 -173.385 63.9892 -173.386 324.675 -147.562 63.9888 -147.563 438.874 GPRESSURE: 3158200 379.571 -141.852 40.9409 -77.1443 419.129 -115.017 52.6685 -207.512 450.017 PRESSAVG: 3158200 60.762 -8.00849 -0.17566 -8.0084 -18.2233 -50.5232 -0.175639 -50.5232 26.7744 GPRESSAVG: 3158200 60.5022 -6.71425 1.04106 -7.78745 -16.7359 -50.5383 -1.5259 -47.6063 26.0872 TIMING: 3158200 CPU: 10046.7, 0.00315602/step Wall: 10046.7, 0.00315602/step, 1.61465 hours remaining, 241.062500 MB of memory in use. ENERGY: 3158200 3922.5451 20628.6781 14435.9414 254.5660 -203331.3267 2802.9293 0.0000 0.0000 51650.5807 -109636.0860 296.8366 -161286.6667 -109288.5614 299.2258 392.2516 416.2391 760671.9044 23.1044 23.2845 PRESSURE: 3158400 -113.111 -89.2392 -75.4086 -89.2387 -53.3103 -71.0474 -75.4081 -71.0477 116.612 GPRESSURE: 3158400 -57.0168 -23.5546 -172.037 -62.9217 7.36556 -65.6384 -74.862 -110.516 78.5208 PRESSAVG: 3158400 79.4907 -61.7652 57.0163 -61.7652 -44.2787 -5.80224 57.0163 -5.8023 6.21917 GPRESSAVG: 3158400 78.2858 -63.5699 55.0879 -61.3795 -44.543 -7.15951 56.9944 -6.44163 7.25967 TIMING: 3158400 CPU: 10047.3, 0.0031748/step Wall: 10047.3, 0.0031748/step, 1.62409 hours remaining, 241.062500 MB of memory in use. ENERGY: 3158400 3952.0211 20665.8115 14400.8106 258.6858 -202923.7159 2410.0720 0.0000 0.0000 51754.3354 -109481.9795 297.4329 -161236.3150 -109125.5413 299.1089 -16.6030 9.6232 761730.9937 13.8104 13.6675 PRESSURE: 3158600 282.689 -28.2482 190.378 -28.2482 -14.2966 24.1099 190.378 24.11 29.9762 GPRESSURE: 3158600 255.659 21.6531 171.035 -53.4254 51.9013 25.8192 245.307 57.7628 94.3071 PRESSAVG: 3158600 -11.4267 18.8017 -63.5923 18.8018 -30.7064 -47.6643 -63.5923 -47.6643 0.934714 GPRESSAVG: 3158600 -10.084 19.5961 -61.1536 18.9673 -31.6568 -48.0636 -64.3851 -48.0147 0.537996 TIMING: 3158600 CPU: 10047.9, 0.00318994/step Wall: 10047.9, 0.00318994/step, 1.63165 hours remaining, 241.062500 MB of memory in use. ENERGY: 3158600 3986.4718 20489.2097 14458.7560 254.1538 -203306.7277 2602.7324 0.0000 0.0000 52210.7905 -109304.6136 300.0561 -161515.4041 -108940.8953 298.9791 99.4562 133.9558 761777.4639 -13.7328 -13.7343 PRESSURE: 3158800 164.411 -52.8972 -141.151 -52.8962 -113.518 72.3583 -141.151 72.3595 219.709 GPRESSURE: 3158800 269.014 62.9419 -165.041 -98.9153 -77.7586 13.5401 -121.74 54.6952 183.07 PRESSAVG: 3158800 24.8095 23.2727 4.15955 23.2727 0.255627 -35.4827 4.15954 -35.4827 4.44076 GPRESSAVG: 3158800 25.3311 22.4867 2.90839 21.8918 -0.118725 -35.9962 4.86525 -35.6564 4.73825 TIMING: 3158800 CPU: 10048.6, 0.00318663/step Wall: 10048.6, 0.00318663/step, 1.62978 hours remaining, 241.062500 MB of memory in use. ENERGY: 3158800 4003.8846 20591.8817 14459.5102 264.4977 -203517.4238 2813.8839 0.0000 0.0000 52044.1627 -109339.6031 299.0985 -161383.7658 -108987.2246 299.5114 90.2009 124.7750 761259.3715 9.8353 9.9836 PRESSURE: 3159000 289.733 -87.2845 -217.918 -87.2842 -403.161 -18.5137 -217.918 -18.5133 -340.254 GPRESSURE: 3159000 207.277 -71.9776 -139.867 -171.765 -353.005 -67.7867 -136.887 21.3005 -223.905 PRESSAVG: 3159000 60.7508 -5.50245 44.5998 -5.50244 -49.6523 22.215 44.5999 22.2151 -0.576693 GPRESSAVG: 3159000 59.6424 -4.69323 44.3484 -5.54994 -47.7324 22.7512 43.6062 21.9015 -0.751911 TIMING: 3159000 CPU: 10049.2, 0.00316613/step Wall: 10049.2, 0.00316613/step, 1.61912 hours remaining, 241.062500 MB of memory in use. ENERGY: 3159000 4016.6338 20482.3203 14491.6926 252.9845 -203266.2558 2495.0022 0.0000 0.0000 52066.3077 -109461.3146 299.2258 -161527.6223 -109100.4008 299.4906 -151.2276 -123.2107 761447.1032 3.5072 3.7194 PRESSURE: 3159200 176.014 172.18 72.2482 172.18 55.9421 -23.4297 72.2477 -23.4301 239.367 GPRESSURE: 3159200 234.449 129.787 5.2169 107.539 131.256 -10.0899 163.733 66.215 175.243 PRESSAVG: 3159200 59.4413 -39.5285 29.2821 -39.5286 -11.7623 14.2325 29.2821 14.2325 -7.02144 GPRESSAVG: 3159200 60.4216 -41.1603 30.4128 -39.9121 -12.75 14.6438 28.6807 14.4766 -7.38944 TIMING: 3159200 CPU: 10049.8, 0.0031649/step Wall: 10049.8, 0.0031649/step, 1.61832 hours remaining, 241.062500 MB of memory in use. ENERGY: 3159200 3999.5581 20589.3379 14483.4853 264.9952 -202961.0657 2413.0699 0.0000 0.0000 51767.3299 -109443.2893 297.5076 -161210.6193 -109083.7095 298.7919 157.1077 180.3161 760500.0463 13.5525 13.4274 PRESSURE: 3159400 -429 -44.5365 64.0691 -44.536 -316.032 -14.0716 64.0686 -14.0714 -197.748 GPRESSURE: 3159400 -389.219 20.6252 22.6137 -63.0141 -325.105 -42.6209 -73.0435 -2.78148 -143.083 PRESSAVG: 3159400 -20.7873 -48.2815 -5.41094 -48.2815 -9.86245 -38.7403 -5.41087 -38.7403 5.96974 GPRESSAVG: 3159400 -21.7811 -46.8008 -7.07011 -46.6327 -9.54887 -38.7969 -4.63906 -39.3988 6.78477 TIMING: 3159400 CPU: 10050.5, 0.00318439/step Wall: 10050.5, 0.00318439/step, 1.62811 hours remaining, 241.062500 MB of memory in use. ENERGY: 3159400 4060.8973 20473.3032 14459.7941 267.0584 -203032.1453 2189.5825 0.0000 0.0000 52033.2437 -109548.2661 299.0358 -161581.5098 -109186.3885 299.0295 -314.2602 -285.8021 761472.7637 -8.2267 -8.1817 PRESSURE: 3159600 261.675 -36.7404 -85.2035 -36.7408 189.142 -15.699 -85.2039 -15.6996 329.592 GPRESSURE: 3159600 313.044 -163.386 -21.5402 -45.4672 197.813 78.9852 -151.942 10.0211 342.594 PRESSAVG: 3159600 24.0655 -41.9771 -5.35777 -41.9772 -14.7393 -18.9863 -5.35781 -18.9862 -3.94022 GPRESSAVG: 3159600 24.8925 -40.8539 -7.07456 -44.1794 -15.2169 -19.3218 -5.06746 -19.8791 -4.58102 TIMING: 3159600 CPU: 10051.1, 0.00322068/step Wall: 10051.1, 0.00322068/step, 1.64648 hours remaining, 241.062500 MB of memory in use. ENERGY: 3159600 3947.0217 20441.7482 14437.4800 246.7768 -203366.3208 2782.9572 0.0000 0.0000 52073.6950 -109436.6418 299.2682 -161510.3368 -109066.0074 299.4538 260.1364 284.4833 760577.5616 1.7954 1.6982 PRESSURE: 3159800 214.886 -217.413 -11.7552 -217.414 51.2779 101.685 -11.7561 101.684 -82.8291 GPRESSURE: 3159800 233.612 -82.3216 1.14643 -193.694 57.7582 162.782 -119.481 10.0522 -8.91771 PRESSAVG: 3159800 53.2999 -38.1594 0.207347 -38.1594 -46.2174 -22.5755 0.207395 -22.5755 12.3935 GPRESSAVG: 3159800 52.3641 -39.131 2.83813 -36.1569 -44.5079 -23.1162 -0.549877 -23.1115 11.9066 TIMING: 3159800 CPU: 10051.8, 0.00318279/step Wall: 10051.8, 0.00318279/step, 1.62693 hours remaining, 241.062500 MB of memory in use. ENERGY: 3159800 3852.5072 20499.8738 14407.4501 242.1705 -203137.1141 2402.1069 0.0000 0.0000 52090.9041 -109642.1016 299.3671 -161733.0057 -109275.2546 299.2667 61.1116 94.1508 762235.5073 6.4920 6.5876 PRESSURE: 3160000 -279.382 -22.8024 -72.856 -22.8019 194.193 -122.473 -72.8563 -122.474 -197.042 GPRESSURE: 3160000 -181.92 -92.8949 -84.3866 50.4999 151.297 -157.299 -139.121 -79.2276 -175.086 PRESSAVG: 3160000 41.6821 -59.3433 13.5015 -59.3433 0.268673 20.5206 13.5015 20.5206 -17.2309 GPRESSAVG: 3160000 42.219 -58.9004 12.2964 -60.1137 -0.666424 22.1423 14.5796 21.339 -16.7087 TIMING: 3160000 CPU: 10052.4, 0.00316337/step Wall: 10052.4, 0.00316337/step, 1.61683 hours remaining, 241.062500 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: 3160000 4016.1780 20707.2150 14465.2529 247.7475 -203874.4135 2812.1184 0.0000 0.0000 52200.2390 -109425.6627 299.9955 -161625.9017 -109070.3604 298.8011 -94.0770 -68.5696 760061.8367 8.2399 8.2813 PRESSURE: 3160200 54.1414 38.1685 -1.76527 38.1692 -158.782 91.4664 -1.76669 91.4663 640.135 GPRESSURE: 3160200 134.718 50.1987 -35.9327 34.0588 -58.6597 19.5686 -64.8869 -109.329 537.348 PRESSAVG: 3160200 67.6762 -25.8771 35.6368 -25.8771 -38.5654 -2.09905 35.6369 -2.0991 26.7322 GPRESSAVG: 3160200 67.7595 -26.9284 36.3672 -24.7413 -38.1467 -3.85865 34.5591 -1.51691 25.8331 TIMING: 3160200 CPU: 10053, 0.00316977/step Wall: 10053, 0.00316977/step, 1.61993 hours remaining, 241.062500 MB of memory in use. ENERGY: 3160200 3966.3986 20593.1809 14499.3329 248.6724 -203535.2827 2443.1239 0.0000 0.0000 52376.2956 -109408.2785 301.0073 -161784.5741 -109046.3934 300.0280 178.4979 204.4685 759790.6650 18.6143 18.4820 LDB: ============= START OF LOAD BALANCING ============== 10065.5 LDB: ============== END OF LOAD BALANCING =============== 10065.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10065.5 LDB: ============= START OF LOAD BALANCING ============== 10065.8 LDB: Largest compute 7070 load 0.035090 is 18.0% of average load 0.195421 LDB: Average compute 0.004376 is 2.2% of average load 0.195421 LDB: TIME 10065.8 LOAD: AVG 0.195421 MAX 0.214287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.016 MB LDB: TIME 10065.8 LOAD: AVG 0.195421 MAX 0.214287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.016 MB LDB: TIME 10065.8 LOAD: AVG 0.195421 MAX 0.214287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.016 MB LDB: ============== END OF LOAD BALANCING =============== 10065.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10065.8 PRESSURE: 3160400 144.186 -99.5694 75.5117 -99.5701 54.8287 -56.747 75.5115 -56.7482 51.6398 GPRESSURE: 3160400 190.016 -214.407 113.738 -181.904 -11.135 -61.1708 42.5844 93.5216 143.763 PRESSAVG: 3160400 -16.5581 -48.6604 -23.9088 -48.6604 -31.1098 -5.27758 -23.9089 -5.27754 -29.6936 GPRESSAVG: 3160400 -15.876 -47.8752 -24.8056 -50.5988 -32.2935 -4.45605 -23.717 -6.96856 -29.253 TIMING: 3160400 CPU: 10053.7, 0.00324143/step Wall: 10053.7, 0.00324143/step, 1.65637 hours remaining, 240.808594 MB of memory in use. ENERGY: 3160400 4024.9603 20632.8881 14495.3509 270.8237 -203595.8604 2601.2934 0.0000 0.0000 52336.3875 -109234.1566 300.7779 -161570.5440 -108869.0441 299.9565 83.5515 107.5480 760569.4048 -25.7872 -25.8075 PRESSURE: 3160600 -79.2143 18.5661 47.9504 18.5664 153.144 -79.1217 47.9496 -79.1211 76.8437 GPRESSURE: 3160600 -65.2683 91.9216 -3.28416 38.8074 133.822 -162.546 86.7942 -61.0564 160.437 PRESSAVG: 3160600 -14.7438 -88.3659 9.98865 -88.366 47.1114 -8.19585 9.98869 -8.19585 -22.0171 GPRESSAVG: 3160600 -14.5866 -88.3334 10.533 -88.5185 47.0472 -9.06662 8.36131 -7.4629 -22.2082 TIMING: 3160600 CPU: 10054.3, 0.0031686/step Wall: 10054.3, 0.0031686/step, 1.61898 hours remaining, 240.808594 MB of memory in use. ENERGY: 3160600 4024.5720 20489.9600 14459.2772 254.4236 -203678.2449 2836.8032 0.0000 0.0000 52220.8038 -109392.4051 300.1137 -161613.2089 -109028.7883 299.7822 50.2577 76.3303 761923.7624 3.4502 3.4175 PRESSURE: 3160800 198.554 -158.086 -221.014 -158.086 -440.983 -48.5689 -221.015 -48.5684 -261.259 GPRESSURE: 3160800 230.582 -35.5174 -209.264 -245.064 -373.638 107.36 -282.583 5.27037 -275.32 PRESSAVG: 3160800 -6.09587 -50.8862 49.1322 -50.8862 -37.8366 5.06906 49.1321 5.06903 -5.14923 GPRESSAVG: 3160800 -7.81761 -51.2791 49.7069 -51.3391 -36.8949 5.55765 48.3531 4.72006 -4.09725 TIMING: 3160800 CPU: 10054.9, 0.00315144/step Wall: 10054.9, 0.00315144/step, 1.61004 hours remaining, 240.808594 MB of memory in use. ENERGY: 3160800 3989.2769 20501.4989 14381.4774 260.2801 -203423.9097 2618.7650 0.0000 0.0000 52275.6003 -109397.0111 300.4286 -161672.6114 -109026.5775 299.4531 -167.8958 -139.4589 762608.4257 -16.3606 -16.2699 PRESSURE: 3161000 -360.677 -157.162 -215.602 -157.162 -235.407 159.611 -215.602 159.611 133.622 GPRESSURE: 3161000 -379.738 -89.6095 -341.937 -150.091 -144.59 151.989 -197.994 85.7167 120.358 PRESSAVG: 3161000 47.0837 -48.1232 -38.3905 -48.1233 -83.1639 -3.18882 -38.3906 -3.18877 -1.14689 GPRESSAVG: 3161000 47.9083 -48.5367 -38.5422 -47.1135 -83.4788 -2.35785 -36.0419 -3.67697 -1.05248 TIMING: 3161000 CPU: 10055.6, 0.0031637/step Wall: 10055.6, 0.0031637/step, 1.61612 hours remaining, 240.808594 MB of memory in use. ENERGY: 3161000 3960.8922 20620.5914 14460.0897 249.4579 -203060.7127 2302.8378 0.0000 0.0000 52116.4018 -109350.4418 299.5137 -161466.8436 -108986.5052 299.4457 -154.1541 -134.6569 763306.3040 -12.4090 -12.2077 PRESSURE: 3161200 96.4205 100.612 -182.484 100.612 -93.6661 -37.6247 -182.483 -37.6252 -222.507 GPRESSURE: 3161200 44.474 101.846 -176.375 127.096 -10.9508 -14.1841 -108.636 -53.4643 -178.451 PRESSAVG: 3161200 2.21987 -94.5743 37.0699 -94.5744 -7.18703 18.8534 37.0699 18.8533 -13.0667 GPRESSAVG: 3161200 2.26406 -94.4428 38.003 -95.3111 -7.29914 19.5098 35.6752 17.9082 -13.5986 TIMING: 3161200 CPU: 10056.2, 0.00319506/step Wall: 10056.2, 0.00319506/step, 1.63197 hours remaining, 240.808594 MB of memory in use. ENERGY: 3161200 3989.6799 20518.5329 14374.9761 245.0914 -203356.6971 2734.1299 0.0000 0.0000 52212.2662 -109282.0207 300.0646 -161494.2868 -108920.2268 299.3418 -73.2508 -48.3093 763123.9696 -6.0113 -6.2112 PRESSURE: 3161400 -300.213 -122.825 -81.7642 -122.825 114.315 -101.934 -81.7635 -101.935 -69.9913 GPRESSURE: 3161400 -256.43 -163.172 -72.3738 11.1954 141.405 -33.7321 34.4664 -60.9134 -50.4036 PRESSAVG: 3161400 24.7552 -54.5887 29.1446 -54.5887 -38.6913 -30.6211 29.1446 -30.6211 10.675 GPRESSAVG: 3161400 24.5544 -55.1153 29.5687 -52.3058 -38.152 -29.8218 28.6741 -28.7776 10.651 TIMING: 3161400 CPU: 10056.8, 0.00316999/step Wall: 10056.8, 0.00316999/step, 1.61898 hours remaining, 240.808594 MB of memory in use. ENERGY: 3161400 4024.2145 20465.1565 14436.1570 254.7828 -203227.2257 2663.6682 0.0000 0.0000 52028.9616 -109354.2850 299.0112 -161383.2467 -108996.0665 299.8105 -85.2962 -55.1431 762099.5924 -1.0870 -0.9822 PRESSURE: 3161600 138.597 101.528 -225.495 101.528 -79.115 -78.722 -225.495 -78.7221 -244.143 GPRESSURE: 3161600 163.999 3.04788 -335.29 41.539 10.2891 -121.319 -107.308 -115.804 -286.354 PRESSAVG: 3161600 43.4562 -81.1648 6.40897 -81.1649 -27.6956 -19.1239 6.409 -19.124 -16.9237 GPRESSAVG: 3161600 44.3051 -81.7031 5.27473 -80.8825 -28.676 -22.8712 7.91927 -19.3754 -17.2934 TIMING: 3161600 CPU: 10057.5, 0.00318303/step Wall: 10057.5, 0.00318303/step, 1.62547 hours remaining, 240.808594 MB of memory in use. ENERGY: 3161600 4053.6536 20656.9335 14480.8245 235.2657 -203304.6224 2672.7059 0.0000 0.0000 51914.4524 -109290.7867 298.3531 -161205.2392 -108935.3290 299.7376 -61.5537 -37.3554 761958.8710 -0.3877 -0.5548 PRESSURE: 3161800 -301.078 -246.181 53.9793 -246.181 -511.819 -108.658 53.9802 -108.658 -185.846 GPRESSURE: 3161800 -253.528 -303.404 45.6622 -288.692 -489.399 -76.1208 -42.7529 -126.285 -156.516 PRESSAVG: 3161800 -33.2255 -75.3357 18.9784 -75.3357 29.2612 -19.4561 18.9784 -19.4561 -3.10922 GPRESSAVG: 3161800 -33.7549 -74.782 18.1407 -77.2471 29.8589 -17.8934 19.6346 -21.1138 -3.71589 TIMING: 3161800 CPU: 10058.1, 0.00316253/step Wall: 10058.1, 0.00316253/step, 1.61482 hours remaining, 240.808594 MB of memory in use. ENERGY: 3161800 4029.7992 20634.7296 14455.9002 256.0187 -203152.0194 2497.9024 0.0000 0.0000 52079.5200 -109198.1493 299.3017 -161277.6694 -108841.0436 299.3676 -332.9145 -299.8145 762995.4978 -2.3578 -2.5373 PRESSURE: 3162000 320.885 66.5828 -9.05975 66.5832 -107.707 133.465 -9.05976 133.465 41.0767 GPRESSURE: 3162000 294.015 69.0179 38.6904 22.7857 -69.3362 136.076 82.2588 90.4653 122.791 PRESSAVG: 3162000 29.2302 -77.5755 -1.51997 -77.5755 -24.2269 -13.5483 -1.5199 -13.5482 -4.6219 GPRESSAVG: 3162000 29.6267 -78.4522 -1.23844 -74.8397 -25.1061 -13.0956 -1.33635 -14.016 -3.44823 TIMING: 3162000 CPU: 10058.7, 0.00317111/step Wall: 10058.7, 0.00317111/step, 1.61903 hours remaining, 240.808594 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: 3162000 4040.7743 20457.0156 14516.3380 240.0307 -203218.2605 2508.7169 0.0000 0.0000 52120.4134 -109334.9717 299.5367 -161455.3851 -108971.8416 299.8659 84.7516 115.8231 760577.6375 0.1271 0.3575 PRESSURE: 3162200 -383.685 -90.9608 -118.95 -90.9613 -112.113 214.897 -118.95 214.896 -353.854 GPRESSURE: 3162200 -234.96 -57.2028 -122.859 -193.779 -138.93 328.721 -262.109 175.286 -389.439 PRESSAVG: 3162200 -4.03189 -73.3861 -24.3172 -73.3862 -21.6737 42.6744 -24.3173 42.6744 -29.6579 GPRESSAVG: 3162200 -2.77779 -71.7889 -22.658 -75.6121 -21.9493 43.5066 -26.458 42.4702 -30.6859 TIMING: 3162200 CPU: 10059.4, 0.00317035/step Wall: 10059.4, 0.00317035/step, 1.61846 hours remaining, 240.808594 MB of memory in use. ENERGY: 3162200 4084.5406 20475.0427 14452.8374 237.0667 -203387.0143 2402.2719 0.0000 0.0000 52030.4502 -109704.8048 299.0197 -161735.2550 -109344.1710 299.3229 -283.2175 -254.4431 759535.1215 -18.4545 -18.4710 PRESSURE: 3162400 -156.211 107.132 -285.143 107.133 -41.9955 -20.5462 -285.142 -20.546 -197.074 GPRESSURE: 3162400 -81.0526 -10.6728 -336.791 20.0299 -35.1812 -40.6481 -251.085 -68.5093 -179.239 PRESSAVG: 3162400 18.2361 -79.9929 12.8135 -79.993 -14.9323 55.4084 12.8135 55.4084 23.1786 GPRESSAVG: 3162400 17.911 -81.4339 12.9076 -79.5315 -14.4942 54.4765 14.7525 55.9503 23.2239 TIMING: 3162400 CPU: 10060, 0.00316357/step Wall: 10060, 0.00316357/step, 1.61482 hours remaining, 240.808594 MB of memory in use. ENERGY: 3162400 3966.0611 20553.7826 14481.2801 256.0945 -203234.3896 2297.4039 0.0000 0.0000 51980.5289 -109699.2385 298.7328 -161679.7674 -109333.1470 298.8023 -131.7601 -98.4908 759656.8677 8.8275 8.8803 PRESSURE: 3162600 -44.7048 17.0841 9.4956 17.0836 252.705 107.045 9.49569 107.046 -478.127 GPRESSURE: 3162600 -19.1705 4.78915 92.2988 26.3345 239.415 -16.481 -1.07204 101.074 -393.716 PRESSAVG: 3162600 -49.5265 -40.4041 -21.3942 -40.4041 37.4425 96.0418 -21.3942 96.0418 -8.37619 GPRESSAVG: 3162600 -50.2327 -39.1605 -20.9537 -42.5116 38.3508 96.305 -24.1048 96.2087 -8.14495 TIMING: 3162600 CPU: 10060.6, 0.00316785/step Wall: 10060.6, 0.00316785/step, 1.61684 hours remaining, 240.808594 MB of memory in use. ENERGY: 3162600 4064.3316 20526.2981 14528.8867 240.6337 -203295.2207 2370.9775 0.0000 0.0000 51883.0314 -109681.0618 298.1725 -161564.0931 -109322.2970 299.1850 -90.0420 -57.8241 760297.9935 -6.8201 -6.6756 PRESSURE: 3162800 -223.615 59.3845 118.956 59.3845 -120.317 -29.1616 118.956 -29.1607 -205.604 GPRESSURE: 3162800 -55.7357 93.7709 139.332 8.17486 -222.015 -53.0089 144.514 31.599 -193.827 PRESSAVG: 3162800 21.2702 -60.8549 -2.35841 -60.8549 2.47334 67.3789 -2.35847 67.3789 -22.6705 GPRESSAVG: 3162800 21.802 -61.9313 -2.338 -59.8933 1.49222 66.7344 -0.468829 67.8823 -22.4468 TIMING: 3162800 CPU: 10061.3, 0.00316003/step Wall: 10061.3, 0.00316003/step, 1.61267 hours remaining, 240.808594 MB of memory in use. ENERGY: 3162800 3974.1497 20627.0185 14447.1838 270.0400 -202937.8204 2169.5297 0.0000 0.0000 52042.3244 -109407.5742 299.0880 -161449.8986 -109047.4060 299.1143 -183.1786 -157.1925 760539.6959 0.3577 0.2825 PRESSURE: 3163000 -231.361 -69.5639 -272.782 -69.5636 -156.357 -35.8262 -272.782 -35.8263 -201.821 GPRESSURE: 3163000 -216.159 -134.982 -260.703 -59.8664 -121.643 52.4986 -184.983 -81.6955 -173.253 PRESSAVG: 3163000 14.4734 -16.0501 -15.212 -16.0502 -23.2331 51.2806 -15.212 51.2806 0.569238 GPRESSAVG: 3163000 13.2344 -16.3147 -17.3915 -15.5543 -23.5999 49.9731 -13.2586 52.4252 1.47609 TIMING: 3163000 CPU: 10061.9, 0.00315699/step Wall: 10061.9, 0.00315699/step, 1.61094 hours remaining, 240.808594 MB of memory in use. ENERGY: 3163000 4005.5693 20683.4554 14433.4276 242.4637 -203357.8545 2612.1019 0.0000 0.0000 51906.3791 -109474.4574 298.3067 -161380.8365 -109120.0252 299.3482 -196.5130 -170.3517 760603.7641 -2.7302 -2.9631 PRESSURE: 3163200 -106.707 -86.8954 7.91329 -86.8954 71.2105 97.3462 7.91314 97.346 60.2541 GPRESSURE: 3163200 -86.3378 11.1287 -38.8769 15.6129 85.0173 74.1669 5.97904 68.3234 108.675 PRESSAVG: 3163200 -11.2521 -37.5789 27.8479 -37.5788 -15.0277 10.3673 27.848 10.3672 10.5474 GPRESSAVG: 3163200 -10.5188 -38.8824 29.7943 -36.668 -15.4016 11.4522 27.1931 9.4193 10.1361 TIMING: 3163200 CPU: 10062.5, 0.00315832/step Wall: 10062.5, 0.00315832/step, 1.61144 hours remaining, 240.808594 MB of memory in use. ENERGY: 3163200 3937.3625 20423.1415 14461.4641 258.2477 -203312.0853 2541.3162 0.0000 0.0000 52230.6537 -109459.8997 300.1703 -161690.5533 -109096.7418 298.8787 8.2526 35.7849 761446.6157 -5.2441 -5.2614 PRESSURE: 3163400 -63.3427 77.3245 -91.8444 77.3247 329.014 50.2563 -91.8445 50.2552 188.182 GPRESSURE: 3163400 89.4123 196.565 -71.5908 105.651 268.621 35.9323 -225.275 -73.992 192.966 PRESSAVG: 3163400 -58.984 -47.5564 56.0738 -47.5564 47.1484 1.08635 56.0739 1.08638 -2.63043 GPRESSAVG: 3163400 -59.4449 -45.5213 55.8961 -48.5625 48.3423 0.610574 54.1699 1.62623 -3.29568 TIMING: 3163400 CPU: 10063.2, 0.00317141/step Wall: 10063.2, 0.00317141/step, 1.61795 hours remaining, 240.808594 MB of memory in use. ENERGY: 3163400 3984.4687 20649.3198 14394.3906 246.4437 -203780.0378 2814.6507 0.0000 0.0000 52191.5014 -109499.2630 299.9453 -161690.7644 -109136.7632 299.2298 151.2845 183.6665 760989.7443 -4.8220 -4.7994 PRESSURE: 3163600 -207.432 -223.51 74.7474 -223.511 -283.531 -5.04431 74.7477 -5.04326 -58.7626 GPRESSURE: 3163600 -155.867 -174.589 48.6699 -173.796 -198.411 -89.6442 107.764 150.185 -96.3633 PRESSAVG: 3163600 -32.2552 -36.7655 26.2558 -36.7655 -7.96609 24.4435 26.2558 24.4434 -19.9245 GPRESSAVG: 3163600 -32.0567 -37.4812 25.047 -35.9412 -8.15905 25.1462 28.0744 23.6648 -19.8766 TIMING: 3163600 CPU: 10063.8, 0.00316043/step Wall: 10063.8, 0.00316043/step, 1.61217 hours remaining, 240.808594 MB of memory in use. ENERGY: 3163600 3999.3147 20610.9674 14425.8337 255.4313 -203627.1991 2646.2111 0.0000 0.0000 52301.0325 -109388.4084 300.5748 -161689.4409 -109020.7833 299.0141 -183.2419 -150.2141 761011.2971 -20.0486 -20.0308 PRESSURE: 3163800 -219.581 66.4043 109.931 66.4043 -75.7464 -248.458 109.931 -248.458 62.5463 GPRESSURE: 3163800 -160.86 9.82124 86.3659 52.502 -59.7383 -157.445 112.443 -313.63 63.3951 PRESSAVG: 3163800 -22.7645 16.0757 87.7938 16.0757 9.97484 15.2651 87.7938 15.265 18.9433 GPRESSAVG: 3163800 -22.4861 14.9278 88.6742 16.2486 9.45447 17.3603 86.1404 15.1055 19.0493 TIMING: 3163800 CPU: 10064.4, 0.00316633/step Wall: 10064.4, 0.00316633/step, 1.61501 hours remaining, 240.808594 MB of memory in use. ENERGY: 3163800 3915.2957 20571.0140 14484.3124 237.4948 -203301.3756 2541.8896 0.0000 0.0000 52031.1973 -109520.1717 299.0240 -161551.3690 -109151.8163 299.5581 -77.5937 -52.4011 761156.4781 2.0512 2.0059 PRESSURE: 3164000 -30.471 120.745 -108.037 120.745 -164.858 -221.241 -108.038 -221.24 25.3477 GPRESSURE: 3164000 18.5176 129.799 -122.523 22.4468 -150.475 -154.931 -175.079 -166.625 38.0805 PRESSAVG: 3164000 -35.6203 31.0971 64.3055 31.0971 -33.4682 -8.16254 64.3055 -8.16246 1.96226 GPRESSAVG: 3164000 -34.4454 33.6864 63.5681 27.8631 -34.638 -10.3932 65.8637 -9.9137 1.6622 TIMING: 3164000 CPU: 10065.1, 0.0032108/step Wall: 10065.1, 0.0032108/step, 1.63751 hours remaining, 240.808594 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: 3164000 4084.0546 20448.4305 14505.1683 235.4035 -203350.1813 2497.2514 0.0000 0.0000 51939.0254 -109640.8476 298.4943 -161579.8730 -109282.0014 298.7924 -56.6605 -31.2922 761078.1214 -22.3754 -22.4737 PRESSURE: 3164200 -135.697 71.4584 -178.786 71.4583 35.6205 -99.5901 -178.787 -99.59 29.8089 GPRESSURE: 3164200 -91.4999 -34.6443 -110.073 59.0313 57.1543 -86.3604 -212.051 -43.4062 45.8144 PRESSAVG: 3164200 -34.6976 -45.4833 45.3146 -45.4833 26.2288 -18.8725 45.3146 -18.8725 4.85128 GPRESSAVG: 3164200 -35.5844 -48.9307 45.4432 -42.7533 26.7925 -18.6095 44.7884 -16.7139 5.67033 TIMING: 3164200 CPU: 10065.7, 0.00320128/step Wall: 10065.7, 0.00320128/step, 1.63247 hours remaining, 240.808594 MB of memory in use. ENERGY: 3164200 3984.8225 20449.7872 14466.5609 244.4121 -203764.1420 2701.9366 0.0000 0.0000 52031.7537 -109884.8690 299.0272 -161916.6227 -109523.0032 298.1108 -23.4225 3.8229 760736.3590 -1.2058 -1.0405 LDB: ============= START OF LOAD BALANCING ============== 10078.2 LDB: ============== END OF LOAD BALANCING =============== 10078.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10078.2 LDB: ============= START OF LOAD BALANCING ============== 10078.5 LDB: Largest compute 7070 load 0.034849 is 17.8% of average load 0.195341 LDB: Average compute 0.004372 is 2.2% of average load 0.195341 LDB: TIME 10078.5 LOAD: AVG 0.195341 MAX 0.216612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.188 MB LDB: TIME 10078.5 LOAD: AVG 0.195341 MAX 0.216612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: TIME 10078.5 LOAD: AVG 0.195341 MAX 0.216612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: ============== END OF LOAD BALANCING =============== 10078.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10078.5 PRESSURE: 3164400 131.393 60.211 139.911 60.2114 337.273 62.453 139.91 62.4512 194.661 GPRESSURE: 3164400 171.533 196.43 86.9532 35.6278 342.446 86.3497 135.198 42.9363 231.567 PRESSAVG: 3164400 13.9524 9.26989 8.29058 9.26987 -70.2554 6.42568 8.29058 6.42562 -11.4482 GPRESSAVG: 3164400 13.6334 12.2913 8.58432 7.15465 -69.5512 6.02655 7.69222 6.70633 -11.4594 TIMING: 3164400 CPU: 10066.4, 0.00327904/step Wall: 10066.4, 0.00327904/step, 1.67194 hours remaining, 240.039062 MB of memory in use. ENERGY: 3164400 3903.5083 20654.5824 14436.4881 239.3744 -203354.9193 2636.6554 0.0000 0.0000 51760.9233 -109723.3874 297.4707 -161484.3107 -109355.5505 298.0526 221.1089 248.5152 759989.0674 -22.5837 -22.4591 PRESSURE: 3164600 -149.859 -16.4351 37.1796 -16.436 -148.386 89.8302 37.1802 89.8298 -391.867 GPRESSURE: 3164600 -87.0546 -66.3488 -21.9329 -105.3 -121.539 23.4428 62.6306 59.3483 -391.584 PRESSAVG: 3164600 79.3938 7.8994 28.1603 7.89934 -73.3654 82.3229 28.1603 82.3229 -4.77215 GPRESSAVG: 3164600 79.5335 8.37473 28.5105 10.0432 -73.3195 83.1469 27.3985 80.8831 -5.20575 TIMING: 3164600 CPU: 10067, 0.0031892/step Wall: 10067, 0.0031892/step, 1.62596 hours remaining, 240.039062 MB of memory in use. ENERGY: 3164600 3988.1253 20563.0297 14493.1188 246.7146 -203361.2780 2340.6647 0.0000 0.0000 51886.4058 -109843.2191 298.1919 -161729.6249 -109474.5183 298.2706 -230.0372 -200.0590 759934.4628 0.4187 0.3361 PRESSURE: 3164800 -28.8744 93.9004 -100.19 93.8999 -391.474 48.6031 -100.19 48.602 -295.467 GPRESSURE: 3164800 0.448304 159.096 -67.5035 13.5485 -340.504 73.3891 -138.624 166.014 -287.02 PRESSAVG: 3164800 9.56112 -33.1176 39.1076 -33.1175 -11.4524 -11.6485 39.1076 -11.6484 26.9557 GPRESSAVG: 3164800 10.6318 -33.0202 39.0026 -34.0893 -12.5247 -11.5001 39.3779 -11.9721 26.4483 TIMING: 3164800 CPU: 10067.6, 0.00319774/step Wall: 10067.6, 0.00319774/step, 1.63014 hours remaining, 240.039062 MB of memory in use. ENERGY: 3164800 4030.3773 20439.0859 14417.1452 239.1289 -203418.1083 2627.4225 0.0000 0.0000 51899.8397 -109765.1087 298.2691 -161664.9484 -109398.0112 298.5260 -238.6053 -209.0253 761295.1161 8.3548 8.1851 PRESSURE: 3165000 -99.6677 23.671 354.514 23.6716 -102.855 -77.2542 354.514 -77.2547 -79.1016 GPRESSURE: 3165000 -58.2564 59.0909 374.17 -9.27569 -159.102 -120.072 226.468 19.1336 -5.34242 PRESSAVG: 3165000 -16.7476 -5.17701 52.8419 -5.17695 -35.5487 19.3263 52.8419 19.3263 0.207249 GPRESSAVG: 3165000 -17.8118 -5.85043 51.539 -4.58191 -34.9302 20.193 53.8181 19.948 0.169828 TIMING: 3165000 CPU: 10068.3, 0.00318932/step Wall: 10068.3, 0.00318932/step, 1.62567 hours remaining, 240.039062 MB of memory in use. ENERGY: 3165000 3954.5528 20591.0376 14430.8325 261.8916 -203553.2361 2562.9290 0.0000 0.0000 52116.4153 -109635.5772 299.5138 -161751.9926 -109270.3036 298.5807 -93.8747 -74.2336 761408.2383 -17.3630 -17.5241 PRESSURE: 3165200 299.306 -59.4573 133.156 -59.4578 160.865 -61.1565 133.156 -61.1569 329.714 GPRESSURE: 3165200 294.269 -33.3695 46.165 -103.568 315.054 -136.539 122.607 -132.143 266.632 PRESSAVG: 3165200 31.2547 -41.0891 26.1384 -41.0892 -67.0042 17.7036 26.1384 17.7036 28.9405 GPRESSAVG: 3165200 31.6462 -42.7256 28.1864 -39.7799 -66.9797 16.8678 26.0008 17.4483 28.9338 TIMING: 3165200 CPU: 10068.9, 0.00320969/step Wall: 10068.9, 0.00320969/step, 1.63587 hours remaining, 240.039062 MB of memory in use. ENERGY: 3165200 3941.3993 20588.2032 14580.1745 231.2288 -203945.9375 2832.3783 0.0000 0.0000 52404.2828 -109368.2707 301.1681 -161772.5535 -109013.6303 299.3007 263.2951 291.9854 759691.8749 -2.2697 -2.1332 PRESSURE: 3165400 -185.299 -185.629 41.1938 -185.629 -129.689 240.926 41.1932 240.928 -251.125 GPRESSURE: 3165400 -226.538 -243.318 24.7738 -78.0429 -52.9094 305.588 74.5041 163.266 -209.002 PRESSAVG: 3165400 -55.188 -22.6607 14.0186 -22.6607 41.6267 46.5248 14.0185 46.5247 -11.0162 GPRESSAVG: 3165400 -56.3689 -21.012 12.3672 -24.8222 42.0114 45.0774 14.9674 47.9512 -9.79883 TIMING: 3165400 CPU: 10069.6, 0.0032342/step Wall: 10069.6, 0.0032342/step, 1.64819 hours remaining, 240.039062 MB of memory in use. ENERGY: 3165400 4078.0283 20702.3169 14506.3242 241.4550 -203484.2875 2616.2192 0.0000 0.0000 52090.5743 -109249.3695 299.3652 -161339.9438 -108891.5293 299.5236 -188.7044 -162.8166 760870.4652 -8.1925 -8.0521 PRESSURE: 3165600 -339.808 115.251 75.8503 115.252 242.135 -88.045 75.8513 -88.0443 -9.43143 GPRESSURE: 3165600 -275.579 130.713 25.7505 83.4489 269.755 -165.858 65.0008 -111.682 -23.78 PRESSAVG: 3165600 -25.2651 10.5374 -11.036 10.5374 11.4662 28.9029 -11.036 28.9029 -9.20582 GPRESSAVG: 3165600 -23.7116 9.62581 -10.3004 10.5006 11.9674 29.0515 -13.0049 29.1516 -10.3504 TIMING: 3165600 CPU: 10070.2, 0.00321575/step Wall: 10070.2, 0.00321575/step, 1.6386 hours remaining, 240.039062 MB of memory in use. ENERGY: 3165600 4073.2675 20512.1040 14487.6413 242.9182 -203206.2355 2588.8216 0.0000 0.0000 52003.4206 -109298.0622 298.8644 -161301.4829 -108930.8973 299.1812 -35.7014 -9.8679 761014.3024 -7.6682 -7.3649 PRESSURE: 3165800 -146.016 76.046 -38.2078 76.0466 404.044 -118.435 -38.2077 -118.436 330.125 GPRESSURE: 3165800 -45.3317 45.8101 93.5355 80.7974 387.934 -63.6576 -33.8505 -94.5528 332.917 PRESSAVG: 3165800 -91.5932 -13.1652 52.0077 -13.1652 80.135 -14.1484 52.0076 -14.1484 -0.568791 GPRESSAVG: 3165800 -92.1536 -12.3763 53.5585 -11.8753 78.8188 -11.5804 52.6466 -16.529 1.28732 TIMING: 3165800 CPU: 10070.9, 0.00319299/step Wall: 10070.9, 0.00319299/step, 1.62683 hours remaining, 240.039062 MB of memory in use. ENERGY: 3165800 3930.5761 20584.5984 14485.7562 248.9881 -203379.2683 2678.3534 0.0000 0.0000 52119.5460 -109331.4501 299.5317 -161450.9961 -108981.6511 299.0849 196.0511 225.1733 760604.9923 -4.0090 -4.0158 PRESSURE: 3166000 15.3902 64.2159 12.2884 64.2166 -153.287 176.322 12.2883 176.322 -279.213 GPRESSURE: 3166000 42.5726 89.1483 40.8736 83.6258 -47.7711 286.855 -11.3049 207.974 -326.097 PRESSAVG: 3166000 25.5043 -44.1859 47.9976 -44.1859 -3.39796 7.26314 47.9976 7.26313 -9.99255 GPRESSAVG: 3166000 25.1216 -45.0075 45.692 -46.2024 -1.32611 6.33455 47.6063 6.83928 -10.4429 TIMING: 3166000 CPU: 10071.5, 0.0031904/step Wall: 10071.5, 0.0031904/step, 1.62533 hours remaining, 240.039062 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: 3166000 4011.6312 20397.9412 14503.7886 230.4036 -203216.1193 2682.1696 0.0000 0.0000 52118.9272 -109271.2580 299.5282 -161390.1852 -108893.4961 300.0070 -139.0366 -110.4318 761412.0936 4.0379 4.4508 PRESSURE: 3166200 -346.805 -128.34 130.052 -128.34 -131.414 -67.9582 130.051 -67.9592 97.2834 GPRESSURE: 3166200 -304.063 -46.5556 81.3297 -38.7948 -78.4896 50.4078 252.943 -98.0733 75.1497 PRESSAVG: 3166200 43.1307 -9.97776 22.7532 -9.97772 -2.91093 -4.54338 22.7532 -4.54341 2.96446 GPRESSAVG: 3166200 43.9099 -9.70404 24.5183 -8.14794 -3.52802 -5.10114 21.6233 -3.04221 2.52396 TIMING: 3166200 CPU: 10072.1, 0.00319223/step Wall: 10072.1, 0.00319223/step, 1.62609 hours remaining, 240.039062 MB of memory in use. ENERGY: 3166200 3908.4273 20526.1373 14533.8730 246.4106 -203180.4702 2659.8268 0.0000 0.0000 51897.1970 -109408.5981 298.2539 -161305.7952 -109046.6665 299.0906 -126.9784 -102.4675 761655.5125 14.3947 14.3020 PRESSURE: 3166400 -273.324 157.351 51.8754 157.35 152.424 48.4733 51.8753 48.4724 29.4988 GPRESSURE: 3166400 -269.564 207.958 14.5592 121.237 184.185 51.4271 76.8536 170.586 74.9565 PRESSAVG: 3166400 -25.8123 -34.4157 -14.0339 -34.4157 -0.832054 57.6555 -14.0339 57.6554 5.8756 GPRESSAVG: 3166400 -25.0736 -32.8858 -15.0544 -35.7221 -1.02203 58.1003 -11.4851 56.8525 5.74233 TIMING: 3166400 CPU: 10072.8, 0.00318754/step Wall: 10072.8, 0.00318754/step, 1.62352 hours remaining, 240.039062 MB of memory in use. ENERGY: 3166400 3975.5991 20526.5711 14504.9613 245.5471 -203057.3416 2497.6743 0.0000 0.0000 51986.8647 -109320.1240 298.7692 -161306.9887 -108965.4229 299.2557 -30.4670 -3.4739 761499.2456 -6.9229 -6.7844 PRESSURE: 3166600 -240.242 17.4098 -211.84 17.41 271.391 49.8327 -211.839 49.833 425.48 GPRESSURE: 3166600 -158.474 -56.6529 -184.515 59.7166 262.959 165.114 -184.577 -56.2946 420.257 PRESSAVG: 3166600 44.8834 63.8664 0.151989 63.8665 -12.6365 4.34621 0.152026 4.34625 8.67369 GPRESSAVG: 3166600 43.8971 60.9817 0.898084 65.2872 -11.9628 3.86861 -1.75146 4.56444 8.64438 TIMING: 3166600 CPU: 10073.4, 0.0031663/step Wall: 10073.4, 0.0031663/step, 1.61253 hours remaining, 240.039062 MB of memory in use. ENERGY: 3166600 3975.4334 20559.5147 14534.5915 252.1115 -203009.7555 2487.5333 0.0000 0.0000 51922.6423 -109277.9287 298.4001 -161200.5710 -108914.6312 298.8028 152.2096 174.9139 761508.6081 13.6402 13.5262 PRESSURE: 3166800 59.5562 26.3924 -73.9133 26.3926 196.771 177.298 -73.9134 177.299 234.873 GPRESSURE: 3166800 167.508 -25.4886 -58.4989 -10.0719 224.543 243.686 -192.354 220.688 201.702 PRESSAVG: 3166800 -2.39118 18.0109 16.9345 18.0108 -14.8801 -1.71309 16.9344 -1.71315 1.7769 GPRESSAVG: 3166800 -1.82725 21.1186 16.297 16.8065 -15.7931 -1.05275 17.3006 -3.78643 2.24612 TIMING: 3166800 CPU: 10074, 0.003178/step Wall: 10074, 0.003178/step, 1.61831 hours remaining, 240.039062 MB of memory in use. ENERGY: 3166800 4003.4897 20492.2560 14577.0207 236.4661 -203080.3891 2370.3343 0.0000 0.0000 52166.7559 -109234.0665 299.8031 -161400.8224 -108870.5510 299.2684 163.7336 197.9176 759859.7847 -5.1648 -5.1248 PRESSURE: 3167000 128.897 -153.964 -92.3634 -153.963 -95.8719 44.5974 -92.3641 44.5972 -83.1493 GPRESSURE: 3167000 133.607 -184.72 -115.941 -122.651 -38.3967 108.077 37.8844 21.9376 -48.5727 PRESSAVG: 3167000 21.3107 -22.362 33.3706 -22.362 -58.8088 8.55031 33.3706 8.5503 -9.05206 GPRESSAVG: 3167000 22.5169 -23.3147 34.1028 -23.2527 -58.2764 7.08422 32.6103 11.1756 -10.1451 TIMING: 3167000 CPU: 10074.7, 0.00321303/step Wall: 10074.7, 0.00321303/step, 1.63597 hours remaining, 240.039062 MB of memory in use. ENERGY: 3167000 4068.9237 20391.1250 14416.2464 242.3847 -203507.9908 2668.9158 0.0000 0.0000 52368.1819 -109352.2132 300.9607 -161720.3951 -108984.7989 299.7571 -16.7081 15.5459 761353.3194 -15.5167 -15.3016 PRESSURE: 3167200 -139.229 87.9543 167.844 87.9532 15.8472 -0.189019 167.844 -0.189108 -171.621 GPRESSURE: 3167200 -129.787 51.9591 249.793 104.968 77.7847 -17.2659 126.879 44.6735 -131.178 PRESSAVG: 3167200 -19.3585 -14.1784 -4.99763 -14.1785 15.2983 63.8782 -4.99764 63.878 6.91273 GPRESSAVG: 3167200 -20.5341 -13.7013 -5.14836 -13.9611 16.1923 65.4176 -5.66628 62.1403 7.41051 TIMING: 3167200 CPU: 10075.3, 0.00323739/step Wall: 10075.3, 0.00323739/step, 1.64819 hours remaining, 240.039062 MB of memory in use. ENERGY: 3167200 3947.6660 20380.5272 14434.0547 258.8824 -202929.0607 2150.0073 0.0000 0.0000 52278.5931 -109479.3299 300.4458 -161757.9230 -109117.1949 299.7691 -98.3343 -61.0598 760015.5881 0.9508 1.0229 PRESSURE: 3167400 120.187 -93.874 -86.7215 -93.8741 169.079 160.614 -86.7214 160.613 225.982 GPRESSURE: 3167400 218.825 -58.5719 -88.7579 -131.23 202.023 137.233 -30.4147 173.812 202.824 PRESSAVG: 3167400 15.8359 -6.54565 -19.7719 -6.54566 -21.7321 35.8733 -19.7718 35.8733 3.33456 GPRESSAVG: 3167400 15.5326 -8.43375 -18.9176 -5.25264 -21.5012 35.1823 -20.8379 38.3921 3.33766 TIMING: 3167400 CPU: 10076, 0.00318975/step Wall: 10076, 0.00318975/step, 1.62376 hours remaining, 240.039062 MB of memory in use. ENERGY: 3167400 3981.0268 20374.4189 14483.5278 243.4155 -203174.8912 2416.5801 0.0000 0.0000 52206.4207 -109469.5012 300.0310 -161675.9219 -109107.9731 299.4214 171.7492 207.8907 759387.0240 -0.8539 -0.8770 PRESSURE: 3167600 103.639 145.934 57.9449 145.934 503.882 -147.344 57.945 -147.345 425.07 GPRESSURE: 3167600 140.952 197.231 33.3478 168.398 525.027 -121.639 180.081 -252.129 432.616 PRESSAVG: 3167600 21.6278 -15.0682 -34.5591 -15.0682 -21.3248 -7.39571 -34.5591 -7.39561 6.85208 GPRESSAVG: 3167600 22.6369 -12.8818 -35.8448 -14.9904 -22.875 -7.01792 -31.5951 -9.04198 6.90135 TIMING: 3167600 CPU: 10076.6, 0.0032029/step Wall: 10076.6, 0.0032029/step, 1.63028 hours remaining, 240.039062 MB of memory in use. ENERGY: 3167600 3918.7876 20489.6387 14542.4925 241.5088 -203292.1362 2554.6095 0.0000 0.0000 52194.3653 -109350.7340 299.9617 -161545.0993 -109000.9281 299.3609 344.1974 366.1980 761042.0124 2.3850 2.2211 PRESSURE: 3167800 215.856 -276.317 147.917 -276.317 -8.44416 130.682 147.917 130.682 63.3343 GPRESSURE: 3167800 219.36 -304.104 34.3333 -396.668 62.0732 204.35 239.094 79.5117 97.1896 PRESSAVG: 3167800 -19.8159 -45.8394 25.3775 -45.8395 -19.8391 -4.03958 25.3775 -4.03957 6.50138 GPRESSAVG: 3167800 -21.3574 -46.1044 23.0412 -47.6228 -19.004 -4.3197 26.7561 -4.55391 7.06284 TIMING: 3167800 CPU: 10077.2, 0.00314736/step Wall: 10077.2, 0.00314736/step, 1.60183 hours remaining, 240.039062 MB of memory in use. ENERGY: 3167800 3946.8653 20500.8336 14398.0723 235.8838 -203500.1135 2721.6002 0.0000 0.0000 52478.0845 -109218.7738 301.5923 -161696.8583 -108858.5921 299.4661 90.2486 126.2074 761517.1155 -11.0512 -11.0995 PRESSURE: 3168000 -0.689408 84.1986 89.5621 84.1986 218.637 67.1412 89.5624 67.1411 299.663 GPRESSURE: 3168000 5.62411 -52.0662 62.8077 197.879 267.547 118.35 47.3031 -73.2228 330.865 PRESSAVG: 3168000 -29.0731 -18.5587 23.9357 -18.5587 26.8341 -40.1152 23.9357 -40.1153 4.80647 GPRESSAVG: 3168000 -28.8425 -20.7639 24.3025 -15.8329 28.1714 -40.4149 23.2442 -39.4737 3.40168 TIMING: 3168000 CPU: 10077.9, 0.00317355/step Wall: 10077.9, 0.00317355/step, 1.61498 hours remaining, 240.039062 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: 3168000 3992.0789 20539.5779 14478.4483 241.8006 -203349.0541 2442.5806 0.0000 0.0000 51991.7398 -109662.8280 298.7972 -161654.5678 -109308.0280 299.3146 172.5369 201.3456 761804.8180 0.8558 0.9102 PRESSURE: 3168200 -264.404 7.55554 111.83 7.55577 310.797 -371.057 111.829 -371.057 175.076 GPRESSURE: 3168200 -183.237 -67.4861 75.9207 83.978 340.953 -486.302 48.7466 -207.75 150.491 PRESSAVG: 3168200 4.95228 -82.6751 48.1515 -82.6751 28.6381 8.98786 48.1516 8.98775 13.017 GPRESSAVG: 3168200 5.98147 -82.2124 50.2063 -84.769 27.7389 7.44083 46.6167 8.20785 12.3762 TIMING: 3168200 CPU: 10078.5, 0.00317043/step Wall: 10078.5, 0.00317043/step, 1.61322 hours remaining, 240.039062 MB of memory in use. ENERGY: 3168200 3976.1645 20606.4412 14430.6476 236.3811 -203739.9506 2684.8667 0.0000 0.0000 52167.9046 -109637.5448 299.8097 -161805.4494 -109280.5703 299.0658 73.8228 102.7353 762001.0908 15.5358 15.3655 LDB: ============= START OF LOAD BALANCING ============== 10091 LDB: ============== END OF LOAD BALANCING =============== 10091 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10091 LDB: ============= START OF LOAD BALANCING ============== 10091.3 LDB: Largest compute 7024 load 0.035290 is 18.1% of average load 0.195418 LDB: Average compute 0.004386 is 2.2% of average load 0.195418 LDB: TIME 10091.3 LOAD: AVG 0.195418 MAX 0.212895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10091.3 LOAD: AVG 0.195418 MAX 0.212895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 10091.3 LOAD: AVG 0.195418 MAX 0.212895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 10091.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10091.3 PRESSURE: 3168400 -34.3955 59.576 -9.23996 59.5762 108.201 -148.034 -9.2393 -148.034 40.361 GPRESSURE: 3168400 17.174 10.2974 -37.1023 129.915 139.904 -199.671 -31.0825 -62.0974 45.5122 PRESSAVG: 3168400 45.1669 -25.0729 -17.9935 -25.0729 -30.8516 31.0896 -17.9935 31.0895 7.11412 GPRESSAVG: 3168400 44.9803 -25.092 -18.5478 -20.4639 -30.9048 32.5489 -16.7538 32.9846 7.41161 TIMING: 3168400 CPU: 10079.2, 0.00325653/step Wall: 10079.2, 0.00325653/step, 1.65685 hours remaining, 240.550781 MB of memory in use. ENERGY: 3168400 4051.9583 20389.8341 14457.6163 234.8452 -203285.8408 2500.1054 0.0000 0.0000 52270.9207 -109380.5607 300.4017 -161651.4814 -109012.0235 299.7774 38.0555 67.5301 760105.4834 7.1431 7.1624 PRESSURE: 3168600 -36.3708 -336.098 -309.235 -336.098 -107.056 316.603 -309.236 316.602 -12.1835 GPRESSURE: 3168600 -57.7692 -342.318 -288.393 -421.236 -34.3396 418.941 -218.048 143.097 33.8305 PRESSAVG: 3168600 -26.6188 -45.9957 22.5212 -45.9957 0.762977 34.3487 22.5212 34.3488 2.28621 GPRESSAVG: 3168600 -26.1708 -44.7193 21.8027 -50.0893 0.425406 36.1519 22.7657 32.0885 2.5399 TIMING: 3168600 CPU: 10079.8, 0.00318658/step Wall: 10079.8, 0.00318658/step, 1.62108 hours remaining, 240.550781 MB of memory in use. ENERGY: 3168600 4049.0157 20600.4353 14433.2531 244.5219 -203378.8695 2450.6100 0.0000 0.0000 52133.7909 -109467.2425 299.6136 -161601.0334 -109098.4896 299.4822 -51.8702 -19.4261 759731.9636 -7.8565 -7.7352 PRESSURE: 3168800 88.149 156.291 66.6382 156.291 -221.086 61.105 66.6385 61.1042 -193.457 GPRESSURE: 3168800 5.16952 97.0719 -18.1913 150.012 -73.301 58.9573 206.415 188.659 -168.423 PRESSAVG: 3168800 -16.2874 -29.4393 -21.4186 -29.4393 19.5076 3.11457 -21.4187 3.11456 19.1856 GPRESSAVG: 3168800 -17.4341 -29.3281 -19.8612 -29.7958 20.5778 1.5447 -22.375 4.45227 18.5166 TIMING: 3168800 CPU: 10080.4, 0.0031942/step Wall: 10080.4, 0.0031942/step, 1.62478 hours remaining, 240.550781 MB of memory in use. ENERGY: 3168800 4107.0019 20450.1871 14461.7004 256.3940 -203247.6783 2563.9547 0.0000 0.0000 52156.6606 -109251.7796 299.7450 -161408.4403 -108886.4168 299.7069 -108.7977 -78.8516 761957.5548 7.4686 7.2201 PRESSURE: 3169000 -181.924 -228.152 218.182 -228.152 460.528 184.422 218.182 184.421 235.952 GPRESSURE: 3169000 -136.867 -271.087 207.372 -269.894 471.713 222.071 157.812 103.826 267.405 PRESSAVG: 3169000 -21.8235 -44.8488 2.00099 -44.8489 -6.77801 42.593 2.00104 42.593 13.0669 GPRESSAVG: 3169000 -21.9691 -46.3918 0.184742 -44.1598 -6.40687 42.6165 2.62091 42.5161 13.3644 TIMING: 3169000 CPU: 10081.1, 0.0031825/step Wall: 10081.1, 0.0031825/step, 1.61866 hours remaining, 240.550781 MB of memory in use. ENERGY: 3169000 3954.1531 20630.4300 14508.1860 251.6532 -203033.2934 2359.8112 0.0000 0.0000 51975.9667 -109353.0933 298.7066 -161329.0599 -108992.5081 299.6645 171.5186 200.7504 760921.1918 -5.1782 -5.0038 PRESSURE: 3169200 -236.314 -68.0181 183.294 -68.0179 -113.39 -31.1168 183.293 -31.1179 -256.579 GPRESSURE: 3169200 -252.012 -72.6317 99.0175 -37.942 -3.33098 -35.7849 90.1642 34.232 -251.392 PRESSAVG: 3169200 -5.02615 5.48166 24.532 5.48169 22.8365 24.8107 24.532 24.8106 1.48852 GPRESSAVG: 3169200 -3.70795 7.18499 24.4721 4.87221 21.3845 23.5271 24.5191 25.0027 1.56163 TIMING: 3169200 CPU: 10081.7, 0.00317366/step Wall: 10081.7, 0.00317366/step, 1.61398 hours remaining, 240.550781 MB of memory in use. ENERGY: 3169200 4020.2548 20457.1193 14444.4405 251.9874 -203090.6147 2546.2328 0.0000 0.0000 52262.1077 -109108.4721 300.3511 -161370.5798 -108742.6459 299.0494 -202.0944 -168.9115 762508.3119 6.4329 6.4127 PRESSURE: 3169400 -434.673 -48.6908 153.901 -48.6909 111.893 -124.793 153.902 -124.794 -485.086 GPRESSURE: 3169400 -327.24 -111.722 159.018 -79.2787 53.1766 -94.4308 153.546 -38.6019 -448.84 PRESSAVG: 3169400 -72.7805 -64.9741 55.4855 -64.9741 35.7252 37.4228 55.4856 37.4228 19.7763 GPRESSAVG: 3169400 -73.152 -66.3036 56.5456 -63.5728 35.3768 37.8633 53.2994 36.7434 20.1292 TIMING: 3169400 CPU: 10082.3, 0.00316701/step Wall: 10082.3, 0.00316701/step, 1.61043 hours remaining, 240.550781 MB of memory in use. ENERGY: 3169400 4033.9837 20473.8964 14471.1412 245.2128 -203041.8314 2281.1766 0.0000 0.0000 52460.1509 -109076.2696 301.4892 -161536.4205 -108715.3521 299.6446 -269.2885 -240.9675 761685.5984 -5.7596 -5.8820 PRESSURE: 3169600 135.618 8.06488 -440.459 8.06497 -1.19413 -61.5813 -440.459 -61.5818 -32.7941 GPRESSURE: 3169600 211.427 14.9244 -405.116 156.125 16.9765 9.25385 -292.306 -73.3135 -66.791 PRESSAVG: 3169600 -31.6161 -82.1772 -20.911 -82.1771 104.096 -20.0293 -20.911 -20.0294 -8.81601 GPRESSAVG: 3169600 -31.3697 -81.0068 -20.4791 -82.4772 104.649 -19.3512 -19.2752 -19.9682 -9.67583 TIMING: 3169600 CPU: 10083, 0.00318467/step Wall: 10083, 0.00318467/step, 1.61923 hours remaining, 240.550781 MB of memory in use. ENERGY: 3169600 3957.2867 20450.7574 14517.8858 242.3106 -202929.9630 2386.4997 0.0000 0.0000 52187.6605 -109187.5623 299.9232 -161375.2228 -108820.7749 299.8853 33.8767 53.8709 761787.2839 21.2213 21.2010 PRESSURE: 3169800 -205.522 -112.393 64.8056 -112.392 -65.5288 -73.8822 64.806 -73.883 -150.943 GPRESSURE: 3169800 -173.734 -37.8593 -15.1572 -120.605 -64.4079 -92.3506 99.9345 -80.8842 -106.711 PRESSAVG: 3169800 -36.8261 -11.5167 -7.39429 -11.5165 34.3683 -1.15557 -7.39428 -1.15559 -0.215535 GPRESSAVG: 3169800 -37.8208 -12.6112 -9.04135 -11.1284 35.4591 -0.888096 -5.38963 0.397968 -0.37113 TIMING: 3169800 CPU: 10083.6, 0.00318996/step Wall: 10083.6, 0.00318996/step, 1.62174 hours remaining, 240.550781 MB of memory in use. ENERGY: 3169800 3893.4019 20438.9012 14596.3544 279.5864 -202949.2516 2412.9651 0.0000 0.0000 52151.0242 -109177.0183 299.7127 -161328.0426 -108813.5561 299.6688 -140.6645 -114.9507 760997.5670 -0.8911 -0.9109 PRESSURE: 3170000 351.452 -228.456 -191.546 -228.455 60.2378 60.4432 -191.545 60.4426 -21.3738 GPRESSURE: 3170000 414.013 -179.439 -147.422 -168.57 69.0467 10.6071 -223.436 -2.11023 -31.9183 PRESSAVG: 3170000 -22.921 -7.85092 -39.4891 -7.85093 13.9108 -8.16934 -39.4892 -8.16937 -32.5525 GPRESSAVG: 3170000 -23.2014 -8.08207 -39.7771 -8.45977 13.3417 -10.1543 -41.113 -8.45083 -31.5218 TIMING: 3170000 CPU: 10084.3, 0.00319961/step Wall: 10084.3, 0.00319961/step, 1.62647 hours remaining, 240.550781 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: 3170000 3864.5162 20455.4951 14501.6484 251.2738 -202918.6950 2550.8323 0.0000 0.0000 52164.1600 -109130.7692 299.7881 -161294.9292 -108770.0536 299.2254 130.1052 150.3803 760170.4402 -13.8542 -13.7938 PRESSURE: 3170200 56.0095 47.6836 -20.4865 47.6839 234.997 -10.3528 -20.4864 -10.3525 372.48 GPRESSURE: 3170200 107.991 85.9226 -58.6939 62.5756 251.79 9.38261 -87.4977 31.0482 379.712 PRESSAVG: 3170200 -41.5882 -43.7127 -26.485 -43.7126 -3.73929 -10.146 -26.4851 -10.146 -19.7121 GPRESSAVG: 3170200 -40.8362 -42.8524 -24.8867 -44.3458 -3.81182 -8.76328 -26.4493 -10.9577 -21.0484 TIMING: 3170200 CPU: 10084.9, 0.00318972/step Wall: 10084.9, 0.00318972/step, 1.62126 hours remaining, 240.550781 MB of memory in use. ENERGY: 3170200 3904.6176 20643.1671 14502.1220 258.7871 -203109.7423 2480.0211 0.0000 0.0000 52126.7959 -109194.2315 299.5734 -161321.0275 -108823.6855 300.0464 221.1621 246.4977 761374.5637 -21.6799 -21.8988 PRESSURE: 3170400 -33.8759 50.0216 39.5848 50.0213 -133.319 85.0388 39.5846 85.0397 -86.7914 GPRESSURE: 3170400 25.5362 67.806 25.5059 127.066 -137.655 50.809 152.796 216.451 -51.8822 PRESSAVG: 3170400 33.9898 -23.6917 -0.066404 -23.6917 -14.7796 -16.7013 -0.0664208 -16.7012 -7.03066 GPRESSAVG: 3170400 33.4085 -22.639 -0.169657 -22.6413 -16.4696 -16.5386 1.15882 -14.3121 -4.93162 TIMING: 3170400 CPU: 10085.5, 0.00317558/step Wall: 10085.5, 0.00317558/step, 1.6139 hours remaining, 240.550781 MB of memory in use. ENERGY: 3170400 3935.4763 20474.4149 14505.3878 262.7953 -202797.5590 2262.1428 0.0000 0.0000 52226.4482 -109130.8938 300.1461 -161357.3419 -108756.5256 299.7052 -84.6623 -54.6671 761190.9794 4.0598 4.0024 PRESSURE: 3170600 57.2787 48.6878 -115.517 48.6873 -90.8824 -5.80527 -115.517 -5.80644 -421.138 GPRESSURE: 3170600 16.2624 88.4053 -134.873 19.5039 17.6923 117.702 -190.118 32.1422 -393.477 PRESSAVG: 3170600 -60.3094 -19.6923 -53.3342 -19.6924 12.9295 8.11024 -53.3343 8.11029 -7.41153 GPRESSAVG: 3170600 -60.4182 -22.2812 -53.0488 -19.6884 13.9953 7.29292 -54.8143 7.98496 -8.69521 TIMING: 3170600 CPU: 10086.2, 0.0031543/step Wall: 10086.2, 0.0031543/step, 1.60291 hours remaining, 240.550781 MB of memory in use. ENERGY: 3170600 4006.0379 20529.4767 14504.5661 243.2576 -203121.3299 2539.8957 0.0000 0.0000 52134.2843 -109163.8116 299.6164 -161298.0960 -108802.3347 299.7196 -151.5804 -119.8406 762676.1088 -18.2638 -18.3727 PRESSURE: 3170800 -306.919 -178.23 -74.4451 -178.231 -237.822 25.8412 -74.4451 25.8412 -218.178 GPRESSURE: 3170800 -247.108 -256.669 -10.0122 -192.957 -212.632 -19.9746 60.6053 52.4491 -229.558 PRESSAVG: 3170800 7.63961 -39.7359 8.02299 -39.7359 -6.3166 -16.648 8.02296 -16.648 6.11838 GPRESSAVG: 3170800 7.23553 -36.3554 9.51506 -42.1799 -6.14047 -17.0032 6.15054 -15.768 5.75791 TIMING: 3170800 CPU: 10086.8, 0.00316846/step Wall: 10086.8, 0.00316846/step, 1.60993 hours remaining, 240.550781 MB of memory in use. ENERGY: 3170800 3961.9366 20436.8724 14511.1500 237.9584 -203024.0707 2445.9323 0.0000 0.0000 52118.9142 -109311.3069 299.5281 -161430.2211 -108946.1881 299.3729 -254.3063 -229.7660 762232.9930 2.4805 2.2843 PRESSURE: 3171000 -266.625 121.376 218.429 121.376 -35.8295 -142.501 218.429 -142.501 -691.558 GPRESSURE: 3171000 -223.697 54.9405 233.232 153.311 -36.222 -107.226 225.421 -12.4281 -616.626 PRESSAVG: 3171000 -17.5611 -36.0984 12.2316 -36.0984 12.059 3.10407 12.2316 3.10406 23.8877 GPRESSAVG: 3171000 -17.3393 -38.2803 11.3973 -34.4631 10.8209 4.63857 14.0756 3.39989 25.1555 TIMING: 3171000 CPU: 10087.4, 0.00317092/step Wall: 10087.4, 0.00317092/step, 1.61101 hours remaining, 240.550781 MB of memory in use. ENERGY: 3171000 3985.8408 20641.7717 14465.7761 228.9103 -202817.7272 2177.3047 0.0000 0.0000 51941.4056 -109376.7180 298.5080 -161318.1236 -109015.5997 299.8822 -331.3374 -292.1815 761426.7878 6.1285 6.2124 PRESSURE: 3171200 22.8374 -42.2349 -228.002 -42.2356 36.2654 240.615 -228.001 240.616 152.125 GPRESSURE: 3171200 6.74911 -30.253 -193.791 -81.3314 133.029 188.255 -100.073 219.138 155.307 PRESSAVG: 3171200 39.0469 -53.9846 2.18781 -53.9846 3.39169 53.0469 2.18786 53.047 17.3304 GPRESSAVG: 3171200 39.8154 -55.6393 1.25807 -54.5824 3.19597 52.1852 2.46002 49.0465 16.5716 TIMING: 3171200 CPU: 10088.1, 0.00318795/step Wall: 10088.1, 0.00318795/step, 1.61948 hours remaining, 240.550781 MB of memory in use. ENERGY: 3171200 3982.0757 20433.2353 14468.3701 240.7460 -203327.7519 2615.4479 0.0000 0.0000 52196.7770 -109391.0998 299.9756 -161587.8768 -109030.2184 299.5575 70.4093 98.3616 759335.2268 19.9230 19.8610 PRESSURE: 3171400 18.4968 -93.2628 -73.5249 -93.2629 -181.393 -50.2042 -73.5242 -50.2043 -55.706 GPRESSURE: 3171400 178.964 -42.1027 -135.275 -78.0643 -251.658 -19.4545 -107.343 -85.1464 -59.0843 PRESSAVG: 3171400 -9.02045 -6.29573 15.3244 -6.29576 29.6663 -20.4107 15.3244 -20.4107 5.58693 GPRESSAVG: 3171400 -10.1179 -2.41205 15.2109 -5.92889 30.8446 -19.1819 16.8613 -19.6541 5.62727 TIMING: 3171400 CPU: 10088.7, 0.00318313/step Wall: 10088.7, 0.00318313/step, 1.61685 hours remaining, 240.550781 MB of memory in use. ENERGY: 3171400 3984.2953 20401.7681 14414.2045 238.4942 -203103.1946 2458.1241 0.0000 0.0000 52310.2543 -109296.0542 300.6278 -161606.3085 -108934.6768 299.8405 -72.8674 -43.9263 760965.8767 8.7443 8.7847 PRESSURE: 3171600 -77.5906 -217.615 225.49 -217.617 434.84 100.903 225.49 100.903 -63.5613 GPRESSURE: 3171600 -17.0313 -253.141 207.659 -207.83 418.846 25.9328 180.044 65.6771 -25.2546 PRESSAVG: 3171600 -62.0094 -32.584 44.6944 -32.584 90.219 -4.36173 44.6944 -4.36174 -5.99518 GPRESSAVG: 3171600 -60.5951 -32.1279 45.4682 -33.8459 89.4004 -5.42939 42.3428 -3.10425 -5.69501 TIMING: 3171600 CPU: 10089.3, 0.00319229/step Wall: 10089.3, 0.00319229/step, 1.62133 hours remaining, 240.550781 MB of memory in use. ENERGY: 3171600 3994.4155 20543.3383 14425.4164 240.7141 -203454.1864 2596.2684 0.0000 0.0000 52236.6620 -109417.3717 300.2048 -161654.0337 -109052.5121 299.5619 97.8962 125.5200 760201.1486 7.4048 7.7034 PRESSURE: 3171800 26.9265 349.634 57.4409 349.633 151.098 -34.1336 57.4411 -34.1328 -217.58 GPRESSURE: 3171800 32.6558 293.224 142.202 353.081 205.211 24.3529 61.9069 -136.429 -190.438 PRESSAVG: 3171800 -70.3831 -16.404 52.6976 -16.4041 19.1159 44.1542 52.6976 44.1542 -8.70365 GPRESSAVG: 3171800 -71.3266 -17.5171 53.0165 -14.2871 20.1627 44.5462 53.0273 42.6245 -8.56341 TIMING: 3171800 CPU: 10090, 0.00318554/step Wall: 10090, 0.00318554/step, 1.61772 hours remaining, 240.550781 MB of memory in use. ENERGY: 3171800 4126.3023 20437.3154 14504.4027 239.3701 -203707.2165 2807.7415 0.0000 0.0000 51960.7636 -109631.3208 298.6192 -161592.0844 -109274.8841 299.1853 -13.1853 15.8093 761429.7309 -19.9903 -19.9091 PRESSURE: 3172000 -3.47786 -19.8244 -38.992 -19.824 58.4423 -30.4986 -38.9915 -30.4991 -450.1 GPRESSURE: 3172000 29.8769 -104.688 -43.2394 58.6931 86.957 -37.7026 -151.837 192.959 -428.426 PRESSAVG: 3172000 -14.4171 -7.50973 -5.13103 -7.5098 4.85634 -17.1176 -5.13104 -17.1175 -5.69411 GPRESSAVG: 3172000 -14.1644 -8.63649 -4.22516 -9.52361 5.34717 -18.8747 -4.70506 -14.1978 -6.5422 TIMING: 3172000 CPU: 10090.6, 0.00321227/step Wall: 10090.6, 0.00321227/step, 1.63112 hours remaining, 240.550781 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: 3172000 4017.8889 20495.2229 14451.6872 232.0217 -203379.8348 2656.7660 0.0000 0.0000 51936.9509 -109589.2971 298.4824 -161526.2480 -109233.4224 298.5553 -131.7118 -103.8642 761148.4939 -5.0849 -5.1198 PRESSURE: 3172200 -77.1309 195.549 -0.025015 195.549 17.1131 -72.8985 -0.0256131 -72.8985 -655.457 GPRESSURE: 3172200 -97.7165 153.944 -15.846 280.841 73.3617 -3.11704 60.8692 24.2456 -621.829 PRESSAVG: 3172200 43.9607 -45.397 -0.970459 -45.397 -12.6002 5.32928 -0.970423 5.32928 4.74839 GPRESSAVG: 3172200 44.3579 -47.6415 -3.25701 -44.5511 -12.3843 8.67408 -0.909664 3.32534 4.10834 TIMING: 3172200 CPU: 10091.3, 0.00318102/step Wall: 10091.3, 0.00318102/step, 1.61507 hours remaining, 240.550781 MB of memory in use. ENERGY: 3172200 4015.9832 20473.6225 14475.6568 229.3383 -203198.1912 2323.3802 0.0000 0.0000 51975.3262 -109704.8841 298.7029 -161680.2102 -109347.0689 298.8359 -238.4915 -215.3945 762266.8401 12.0363 12.0273 LDB: ============= START OF LOAD BALANCING ============== 10103.7 LDB: ============== END OF LOAD BALANCING =============== 10103.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10103.7 LDB: ============= START OF LOAD BALANCING ============== 10104 LDB: Largest compute 7070 load 0.036759 is 18.8% of average load 0.195382 LDB: Average compute 0.004381 is 2.2% of average load 0.195382 LDB: TIME 10104 LOAD: AVG 0.195382 MAX 0.21403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10104 LOAD: AVG 0.195382 MAX 0.21403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 10104 LOAD: AVG 0.195382 MAX 0.21403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 10104 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10104 PRESSURE: 3172400 -59.7985 -110.777 -83.9136 -110.776 -180.729 -65.4041 -83.9138 -65.4048 250.281 GPRESSURE: 3172400 -2.10131 -36.4681 -101.451 19.0523 -208.605 37.5526 -44.557 38.3076 298.949 PRESSAVG: 3172400 1.54407 4.14991 39.0482 4.14995 1.84536 45.2031 39.0482 45.2031 10.9803 GPRESSAVG: 3172400 2.13746 6.45782 40.2689 3.8725 0.0116002 44.6546 40.2501 45.8417 11.9936 TIMING: 3172400 CPU: 10091.9, 0.00325599/step Wall: 10091.9, 0.00325599/step, 1.65296 hours remaining, 239.527344 MB of memory in use. ENERGY: 3172400 4018.4737 20355.2864 14484.8742 238.3373 -203000.2742 2372.0687 0.0000 0.0000 52041.7462 -109489.4876 299.0846 -161531.2339 -109124.3788 298.8862 3.2514 29.4139 762064.0305 4.7899 4.7142 PRESSURE: 3172600 -276.42 -101.797 -57.6572 -101.798 -88.8162 265.643 -57.6573 265.642 -54.7705 GPRESSURE: 3172600 -185.047 48.9693 -48.3307 -70.5284 -156.847 248.871 -72.9955 283.751 2.99123 PRESSAVG: 3172600 -26.7049 -37.9212 39.7141 -37.9212 -1.66171 -13.9613 39.7141 -13.9613 -4.72097 GPRESSAVG: 3172600 -26.9852 -39.1378 39.84 -37.4024 -2.48145 -15.8447 37.9079 -12.3824 -4.45895 TIMING: 3172600 CPU: 10092.5, 0.00316403/step Wall: 10092.5, 0.00316403/step, 1.6061 hours remaining, 239.527344 MB of memory in use. ENERGY: 3172600 4017.2816 20510.9139 14541.6106 228.0679 -202769.4358 2146.5188 0.0000 0.0000 51828.6208 -109496.4221 297.8598 -161325.0429 -109138.0149 298.9567 -140.0022 -112.9675 761338.7628 -11.0292 -11.3085 PRESSURE: 3172800 -40.9506 48.9975 242.896 48.998 -55.0882 19.911 242.895 19.9105 253.75 GPRESSURE: 3172800 -9.01018 35.0408 324.56 54.3001 -5.7121 40.1823 301.283 12.7835 228.594 PRESSAVG: 3172800 -54.7064 -35.2098 1.79771 -35.2097 54.8581 8.87691 1.79768 8.87691 -4.93174 GPRESSAVG: 3172800 -54.6482 -35.9623 1.5445 -35.3178 56.0528 10.772 2.31141 8.44329 -5.87507 TIMING: 3172800 CPU: 10093.2, 0.00319134/step Wall: 10093.2, 0.00319134/step, 1.61978 hours remaining, 239.527344 MB of memory in use. ENERGY: 3172800 3954.6953 20487.5703 14542.3487 241.4395 -204086.8647 2851.8120 0.0000 0.0000 52409.3556 -109599.6435 301.1973 -162008.9991 -109239.1274 299.0294 52.5703 71.2905 760938.9551 -1.5934 -1.4901 PRESSURE: 3173000 -217.179 -165.283 168.835 -165.283 -229.236 -73.7942 168.835 -73.7932 165.587 GPRESSURE: 3173000 -209.048 -27.0808 177.48 -224.271 -104.641 13.4436 217.177 -222.226 126.976 PRESSAVG: 3173000 -38.2042 28.9964 13.3046 28.9963 85.9199 -59.3559 13.3045 -59.3559 -11.3192 GPRESSAVG: 3173000 -39.1855 30.6934 13.3635 28.0996 85.8403 -59.901 15.0537 -62.2375 -10.4897 TIMING: 3173000 CPU: 10093.8, 0.00317735/step Wall: 10093.8, 0.00317735/step, 1.61251 hours remaining, 239.527344 MB of memory in use. ENERGY: 3173000 3966.3578 20399.6093 14432.7607 238.1396 -203257.6621 2306.5106 0.0000 0.0000 51999.3153 -109914.9688 298.8408 -161914.2842 -109556.1225 298.8279 -93.6092 -62.2377 761759.5220 12.1322 12.0550 PRESSURE: 3173200 -148.365 49.7825 -169.124 49.782 -374.84 -60.9975 -169.124 -60.9991 -251.669 GPRESSURE: 3173200 -222.876 69.809 -224.312 36.3845 -262.302 -105.377 -357.781 -12.4834 -201.451 PRESSAVG: 3173200 50.3594 -7.0554 -16.4023 -7.05538 -42.1865 -29.3203 -16.4023 -29.3204 -3.02173 GPRESSAVG: 3173200 49.5385 -8.80247 -16.4876 -6.66162 -40.7661 -29.391 -18.6607 -26.2541 -3.61841 TIMING: 3173200 CPU: 10094.4, 0.00316249/step Wall: 10094.4, 0.00316249/step, 1.60479 hours remaining, 239.527344 MB of memory in use. ENERGY: 3173200 3939.4940 20444.1014 14461.4179 256.0587 -203228.6161 2354.3560 0.0000 0.0000 51867.9661 -109905.2219 298.0859 -161773.1880 -109541.7202 298.6473 -258.2913 -228.8761 761893.0795 1.7171 1.7180 PRESSURE: 3173400 235.532 231.848 -43.4291 231.848 -80.1617 96.2078 -43.429 96.2093 517.945 GPRESSURE: 3173400 268.398 255.987 -141.665 186.514 13.3434 38.2615 -158.785 68.0572 479.062 PRESSAVG: 3173400 5.31011 20.2596 -11.9779 20.2596 16.4004 14.3819 -11.978 14.382 6.99619 GPRESSAVG: 3173400 7.09346 21.2541 -12.7793 21.016 14.9666 15.4523 -11.6743 12.2776 6.7326 TIMING: 3173400 CPU: 10095.1, 0.00319032/step Wall: 10095.1, 0.00319032/step, 1.61873 hours remaining, 239.527344 MB of memory in use. ENERGY: 3173400 3941.1669 20420.0660 14488.8247 246.8228 -203406.3295 2738.6389 0.0000 0.0000 51809.8222 -109760.9880 297.7518 -161570.8102 -109396.9955 298.6207 224.4386 253.6010 763172.0725 9.5689 9.5976 PRESSURE: 3173600 23.7005 31.7521 110.755 31.7515 -106.91 7.75634 110.755 7.75517 -91.7366 GPRESSURE: 3173600 0.375256 -60.4813 -2.73618 52.0058 -58.5777 78.2289 156.163 -81.9468 -44.7056 PRESSAVG: 3173600 -8.60856 -28.7407 21.9467 -28.7408 40.9838 8.85956 21.9467 8.85964 -3.20661 GPRESSAVG: 3173600 -9.15547 -28.7953 21.7519 -29.5032 40.9227 8.38572 21.4558 8.87421 -3.01653 TIMING: 3173600 CPU: 10095.7, 0.00319801/step Wall: 10095.7, 0.00319801/step, 1.62246 hours remaining, 239.527344 MB of memory in use. ENERGY: 3173600 3970.9958 20322.1322 14462.5904 255.6898 -203256.5773 2439.8491 0.0000 0.0000 52216.2888 -109589.0312 300.0877 -161805.3200 -109230.9171 298.7614 -58.3152 -34.3027 761500.4892 9.7229 9.5836 PRESSURE: 3173800 -69.7575 -144.921 43.7033 -144.921 -16.2287 183.069 43.7042 183.069 -265.589 GPRESSURE: 3173800 49.6913 -173.299 0.066542 -13.497 -48.1367 191.438 34.6859 121.661 -277.974 PRESSAVG: 3173800 -23.7281 -52.8766 -9.31618 -52.8766 36.1627 10.1843 -9.31621 10.1844 16.0624 GPRESSAVG: 3173800 -24.8151 -53.493 -7.52526 -52.8394 37.1343 8.79039 -9.09344 10.7533 16.0526 TIMING: 3173800 CPU: 10096.4, 0.00321502/step Wall: 10096.4, 0.00321502/step, 1.63091 hours remaining, 239.527344 MB of memory in use. ENERGY: 3173800 3958.1736 20422.9863 14423.4512 236.6588 -202815.9070 2392.6709 0.0000 0.0000 51895.3100 -109486.6561 298.2431 -161381.9661 -109131.8455 299.0190 -117.1916 -92.1398 763064.9449 9.4990 9.4573 PRESSURE: 3174000 -473.747 -64.2155 -39.8776 -64.2155 145.622 -181.782 -39.8768 -181.784 -489.919 GPRESSURE: 3174000 -416.915 -53.0219 -64.9018 -179.052 59.5604 -166.133 71.0897 -143.168 -371.879 PRESSAVG: 3174000 -30.8149 5.81885 22.391 5.8189 -15.6661 -13.9034 22.3909 -13.9033 -11.477 GPRESSAVG: 3174000 -30.0978 7.27544 20.2604 5.08124 -17.0449 -12.7913 23.8019 -13.4813 -10.2566 TIMING: 3174000 CPU: 10097, 0.00317998/step Wall: 10097, 0.00317998/step, 1.61296 hours remaining, 239.527344 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: 3174000 3984.7415 20422.9425 14491.3624 237.8326 -203284.0815 2552.4750 0.0000 0.0000 52003.9155 -109590.8120 298.8672 -161594.7275 -109228.8628 298.9281 -272.6816 -243.0779 762211.7486 -19.3193 -19.1331 PRESSURE: 3174200 -80.0126 187.641 94.0609 187.641 194.746 -42.2173 94.0603 -42.2171 199.872 GPRESSURE: 3174200 -4.47336 300.45 6.57785 75.3216 138.245 -50.8685 66.3039 -41.8651 282.161 PRESSAVG: 3174200 -21.8387 -6.95783 16.9938 -6.95785 29.9875 1.58207 16.9938 1.58202 -8.83868 GPRESSAVG: 3174200 -21.0922 -7.83117 17.0605 -7.01491 30.0851 0.33238 16.3092 1.23383 -9.59892 TIMING: 3174200 CPU: 10097.6, 0.00319094/step Wall: 10097.6, 0.00319094/step, 1.61834 hours remaining, 239.527344 MB of memory in use. ENERGY: 3174200 3822.0391 20380.0864 14466.7474 272.5084 -203348.0976 2592.5502 0.0000 0.0000 52415.2142 -109398.9519 301.2310 -161814.1661 -109033.4606 299.1075 104.8687 138.6443 760827.7285 -0.2300 -0.2020 PRESSURE: 3174400 -177.666 4.84011 71.9505 4.84014 174.565 242.197 71.9503 242.197 211.02 GPRESSURE: 3174400 -136.372 -36.7438 51.8951 107.166 218.033 247.022 92.3436 73.1642 214.213 PRESSAVG: 3174400 -17.7273 3.8453 29.9829 3.84529 -7.85395 8.77547 29.9829 8.77548 -6.98765 GPRESSAVG: 3174400 -18.9664 3.17655 31.997 3.61609 -7.4241 8.52241 28.6667 9.23892 -6.2452 TIMING: 3174400 CPU: 10098.3, 0.0031848/step Wall: 10098.3, 0.0031848/step, 1.61505 hours remaining, 239.527344 MB of memory in use. ENERGY: 3174400 3983.3454 20327.9769 14524.1022 241.9085 -202910.4224 2267.3079 0.0000 0.0000 51994.5279 -109571.2537 298.8133 -161565.7816 -109196.2822 298.9654 69.3061 98.6247 760174.0802 -10.8563 -10.8786 PRESSURE: 3174600 150.227 -8.79418 97.3291 -8.79445 -83.0018 -99.0399 97.3298 -99.0411 -26.2006 GPRESSURE: 3174600 180.887 -113.427 28.2101 -11.0712 -26.7501 -143.438 63.6969 -115.983 -31.8039 PRESSAVG: 3174600 -51.6913 7.47969 0.305725 7.47964 42.8012 -35.2174 0.30574 -35.2174 6.06843 GPRESSAVG: 3174600 -51.4432 5.85015 0.459272 9.02248 44.7543 -34.4524 -0.12157 -34.1586 4.02 TIMING: 3174600 CPU: 10098.9, 0.00318286/step Wall: 10098.9, 0.00318287/step, 1.61389 hours remaining, 239.527344 MB of memory in use. ENERGY: 3174600 3983.9796 20456.7905 14526.4845 238.6255 -203297.6602 2456.7684 0.0000 0.0000 52059.7471 -109575.2647 299.1881 -161635.0117 -109210.1541 299.0650 13.6748 40.7776 760074.5870 -0.9406 -0.8896 PRESSURE: 3174800 -437.27 9.62047 -63.8119 9.62092 -20.1285 332.086 -63.8115 332.087 -200.964 GPRESSURE: 3174800 -457.573 -35.899 -166.242 -132.114 133.095 325.053 -129.561 268.728 -249.52 PRESSAVG: 3174800 -23.0783 24.4985 -4.3859 24.4986 -11.4535 56.5204 -4.38585 56.5205 -22.0782 GPRESSAVG: 3174800 -23.6213 26.1187 -4.57221 22.2831 -12.5055 57.5343 -3.62851 55.0771 -20.3892 TIMING: 3174800 CPU: 10099.6, 0.00319206/step Wall: 10099.6, 0.00319206/step, 1.61838 hours remaining, 239.527344 MB of memory in use. ENERGY: 3174800 3960.7493 20343.1025 14419.9268 236.8006 -203233.6895 2289.5359 0.0000 0.0000 52339.6099 -109643.9645 300.7965 -161983.5744 -109279.7101 299.0772 -219.4540 -191.3326 760798.6549 -18.8700 -18.8387 PRESSURE: 3175000 -36.7012 -184.404 144.755 -184.404 68.3247 112.914 144.754 112.914 82.2607 GPRESSURE: 3175000 -27.0172 -66.5031 166.578 -182.556 162.768 54.8392 223.578 156.429 83.7604 PRESSAVG: 3175000 -19.0218 34.8195 47.76 34.8194 18.1671 -26.903 47.76 -26.9029 20.4128 GPRESSAVG: 3175000 -19.3257 34.9072 48.2891 36.6718 19.7913 -28.8819 46.2196 -25.6368 19.9906 TIMING: 3175000 CPU: 10100.2, 0.00318447/step Wall: 10100.2, 0.00318447/step, 1.61435 hours remaining, 239.527344 MB of memory in use. ENERGY: 3175000 3979.9839 20488.0530 14490.0466 239.2283 -203362.8927 2551.5393 0.0000 0.0000 52018.0943 -109595.9473 298.9487 -161614.0416 -109240.5557 299.0651 37.9614 73.1704 759299.1444 6.5193 6.8187 PRESSURE: 3175200 222.234 -82.5531 -65.4634 -82.5525 42.187 -43.0002 -65.4624 -43.001 146.403 GPRESSURE: 3175200 312.092 31.2446 8.42447 -134.32 63.326 -1.27254 -28.6911 -78.2393 106.93 PRESSAVG: 3175200 -16.7636 -16.6762 26.882 -16.6763 49.7697 -20.3304 26.882 -20.3303 0.20904 GPRESSAVG: 3175200 -16.0596 -15.5422 26.1072 -17.6638 48.602 -20.3032 29.4726 -21.8921 0.652699 TIMING: 3175200 CPU: 10100.8, 0.00318277/step Wall: 10100.8, 0.00318277/step, 1.61331 hours remaining, 239.527344 MB of memory in use. ENERGY: 3175200 3880.5237 20380.4937 14468.5494 251.2411 -203453.3036 2557.0120 0.0000 0.0000 52132.0158 -109783.4679 299.6034 -161915.4838 -109422.1844 299.1202 136.9415 160.7827 760240.5788 11.0717 11.0650 PRESSURE: 3175400 -605.634 96.8282 -80.121 96.8273 -111.106 -43.2652 -80.1205 -43.2644 357.257 GPRESSURE: 3175400 -579.841 -40.3486 -109.602 46.9723 -79.3482 -4.00198 -158.722 -127.625 393.783 PRESSAVG: 3175400 0.754587 -19.0463 13.76 -19.0463 14.2851 4.19833 13.76 4.1983 -12.3293 GPRESSAVG: 3175400 0.877448 -21.1751 12.9008 -17.9281 14.6864 4.77873 15.6972 5.53716 -12.6679 TIMING: 3175400 CPU: 10101.5, 0.00316217/step Wall: 10101.5, 0.00316217/step, 1.60269 hours remaining, 239.527344 MB of memory in use. ENERGY: 3175400 3987.2085 20462.2077 14344.0348 251.3370 -203160.4205 2367.5479 0.0000 0.0000 51900.6893 -109847.3954 298.2740 -161748.0847 -109490.1891 298.7273 -119.8275 -88.4688 760416.5262 0.9035 0.9653 PRESSURE: 3175600 -231.795 -244.218 207.584 -244.219 -91.6633 -186.103 207.584 -186.103 240.114 GPRESSURE: 3175600 -44.4099 -154.171 255.925 -271.542 -125.238 -122.199 152.424 -100.007 196.51 PRESSAVG: 3175600 47.7698 -15.9068 20.2958 -15.9067 13.1045 -23.7223 20.2958 -23.7224 22.8107 GPRESSAVG: 3175600 47.9579 -16.5798 20.3055 -17.5265 12.0999 -24.249 16.755 -22.7876 23.7568 TIMING: 3175600 CPU: 10102.1, 0.0031672/step Wall: 10102.1, 0.0031672/step, 1.60506 hours remaining, 239.527344 MB of memory in use. ENERGY: 3175600 3976.3554 20476.0916 14412.8267 224.5747 -202770.6595 1967.2142 0.0000 0.0000 51758.3075 -109955.2895 297.4557 -161713.5970 -109600.8177 298.5338 -27.7816 8.9542 759205.3166 27.8950 27.9382 PRESSURE: 3175800 -147.723 -58.3517 -35.1558 -58.3519 -170.87 -33.9875 -35.1555 -33.9881 -209.209 GPRESSURE: 3175800 -92.4635 14.8192 -97.4469 -49.2747 -75.533 20.8742 -70.3449 -112.203 -268.945 PRESSAVG: 3175800 -67.021 -15.5605 -28.202 -15.5605 23.9127 -66.0831 -28.202 -66.0831 -5.98939 GPRESSAVG: 3175800 -67.4015 -14.4614 -28.688 -14.0774 25.7273 -65.3821 -25.8522 -67.1253 -7.17625 TIMING: 3175800 CPU: 10102.7, 0.0031507/step Wall: 10102.7, 0.0031507/step, 1.59653 hours remaining, 239.527344 MB of memory in use. ENERGY: 3175800 3980.7768 20453.8098 14394.9506 246.9552 -203358.9579 2338.0026 0.0000 0.0000 52011.8126 -109932.6502 298.9126 -161944.4628 -109567.3354 298.5679 -175.9338 -145.6471 759839.7324 -16.3659 -16.2835 PRESSURE: 3176000 69.3569 80.0368 117.825 80.0362 -250.66 -103.228 117.825 -103.228 44.0185 GPRESSURE: 3176000 71.7018 39.5861 75.662 84.5001 -244.799 -42.3245 41.0413 -259.537 113.774 PRESSAVG: 3176000 -27.9199 -38.4317 -36.7642 -38.4318 5.64794 -35.6075 -36.7642 -35.6075 -1.03506 GPRESSAVG: 3176000 -28.1909 -37.7392 -35.6159 -37.974 4.78565 -35.2841 -39.3765 -36.05 -0.299716 TIMING: 3176000 CPU: 10103.4, 0.00317304/step Wall: 10103.4, 0.00317305/step, 1.60768 hours remaining, 239.527344 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: 3176000 3966.0989 20536.6529 14418.1046 243.8720 -203144.8834 2224.0482 0.0000 0.0000 51768.7442 -109987.3627 297.5157 -161756.1069 -109618.9995 298.3486 -45.7616 -19.7747 758866.0900 -7.7690 -7.9016 PRESSURE: 3176200 108.467 75.5044 -168.376 75.5042 -239.746 232.753 -168.376 232.754 463.006 GPRESSURE: 3176200 41.0141 78.8154 -182.502 92.7864 -19.13 281.587 -99.7863 104.993 393.246 PRESSAVG: 3176200 23.3261 16.4327 12.2447 16.4326 -10.7569 23.3572 12.2447 23.3572 -16.7465 GPRESSAVG: 3176200 23.5678 15.9495 11.9219 15.0365 -10.0037 22.9538 11.3426 22.7085 -17.8643 TIMING: 3176200 CPU: 10104, 0.00319115/step Wall: 10104, 0.00319115/step, 1.61667 hours remaining, 239.527344 MB of memory in use. ENERGY: 3176200 4013.6561 20426.0603 14472.4271 261.1619 -203507.5161 2698.3880 0.0000 0.0000 51621.6351 -110014.1875 296.6702 -161635.8226 -109660.5021 297.7082 110.5753 138.3766 759616.7317 -1.3925 -1.4334 LDB: ============= START OF LOAD BALANCING ============== 10116.4 LDB: ============== END OF LOAD BALANCING =============== 10116.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10116.5 LDB: ============= START OF LOAD BALANCING ============== 10116.8 LDB: Largest compute 7070 load 0.038844 is 19.9% of average load 0.195299 LDB: Average compute 0.004383 is 2.2% of average load 0.195299 LDB: TIME 10116.8 LOAD: AVG 0.195299 MAX 0.2158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 10116.8 LOAD: AVG 0.195299 MAX 0.2158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: TIME 10116.8 LOAD: AVG 0.195299 MAX 0.2158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: ============== END OF LOAD BALANCING =============== 10116.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10116.8 PRESSURE: 3176400 -162.048 -40.0847 16.4106 -40.0851 -275.324 -40.3717 16.4107 -40.3722 133.502 GPRESSURE: 3176400 -113.653 -6.91338 -49.3058 36.3003 -215.585 -73.6491 -22.2248 -5.45289 124.581 PRESSAVG: 3176400 -40.5859 -15.0819 -29.0316 -15.0818 11.9555 38.7439 -29.0317 38.7439 1.38729 GPRESSAVG: 3176400 -40.0269 -15.9523 -27.6624 -14.5396 11.6188 38.1379 -25.9907 40.9306 1.10579 TIMING: 3176400 CPU: 10104.6, 0.00325579/step Wall: 10104.6, 0.00325579/step, 1.64924 hours remaining, 240.808594 MB of memory in use. ENERGY: 3176400 3997.5044 20338.5325 14463.9925 247.8916 -203131.1294 2267.0685 0.0000 0.0000 52076.9060 -109739.2338 299.2867 -161816.1399 -109372.0028 297.8156 -101.2899 -68.2190 759942.5466 -9.0810 -9.1008 PRESSURE: 3176600 131.584 41.2394 -9.86725 41.2393 -334.713 20.9453 -9.86688 20.9453 307.243 GPRESSURE: 3176600 181.724 52.805 -29.2013 26.9761 -263.704 -73.5186 29.0179 64.9692 274.327 PRESSAVG: 3176600 72.7981 -14.7945 -2.4897 -14.7945 -42.4922 -20.0407 -2.48976 -20.0407 7.20332 GPRESSAVG: 3176600 72.5939 -14.5539 -3.46759 -15.4324 -43.1188 -20.7329 -3.05499 -21.5472 7.83188 TIMING: 3176600 CPU: 10105.3, 0.00317066/step Wall: 10105.3, 0.00317066/step, 1.60594 hours remaining, 240.808594 MB of memory in use. ENERGY: 3176600 3982.6521 20422.8626 14448.5607 243.8506 -203418.8054 2592.7492 0.0000 0.0000 51953.4271 -109774.7031 298.5771 -161728.1302 -109411.4659 298.6116 34.7045 64.1157 760914.4476 12.5031 12.4357 PRESSURE: 3176800 270.479 131.881 -18.2916 131.881 -73.9444 -18.6249 -18.2907 -18.625 -279.037 GPRESSURE: 3176800 240.43 165.751 18.9663 139.188 -37.9255 -58.4676 -145.83 -41.0158 -204.181 PRESSAVG: 3176800 17.4312 -13.5927 -26.7846 -13.5927 2.54324 -28.2247 -26.7846 -28.2248 11.8877 GPRESSAVG: 3176800 18.1079 -12.5906 -28.49 -11.6622 2.33301 -26.766 -27.0738 -28.1179 10.9926 TIMING: 3176800 CPU: 10105.9, 0.00316289/step Wall: 10105.9, 0.00316289/step, 1.60183 hours remaining, 240.808594 MB of memory in use. ENERGY: 3176800 3902.1540 20499.5795 14500.3148 258.9176 -203536.8183 2475.2511 0.0000 0.0000 52164.3380 -109736.2633 299.7892 -161900.6013 -109380.7128 298.8285 -27.5007 -0.5590 760917.3611 10.6207 10.4778 PRESSURE: 3177000 55.7067 -127.381 -166.164 -127.38 37.8547 51.6429 -166.165 51.6422 245.875 GPRESSURE: 3177000 91.2371 -138.545 -118.289 -66.8695 79.4272 -7.52422 -124.265 -102.577 281 PRESSAVG: 3177000 -3.65186 1.17755 -10.9046 1.17756 -4.33886 -5.80629 -10.9046 -5.80628 -5.1897 GPRESSAVG: 3177000 -3.2444 2.58852 -10.6485 -0.325517 -5.11957 -7.99829 -12.3659 -5.54522 -4.56037 TIMING: 3177000 CPU: 10106.5, 0.00316434/step Wall: 10106.5, 0.00316434/step, 1.60239 hours remaining, 240.808594 MB of memory in use. ENERGY: 3177000 3977.2602 20380.5586 14423.4737 275.6098 -203430.3918 2580.5716 0.0000 0.0000 52116.3822 -109676.5357 299.5136 -161792.9179 -109318.3918 299.0179 113.1456 150.5548 760247.2787 -4.3935 -4.3081 PRESSURE: 3177200 61.318 -3.47204 -98.6992 -3.47186 20.7528 -86.6425 -98.6992 -86.642 149.745 GPRESSURE: 3177200 166.605 22.7487 -48.109 44.0247 27.209 -81.3218 -206.09 13.6527 103.329 PRESSAVG: 3177200 -1.08454 -0.949093 -41.8031 -0.949184 -15.7039 -6.44811 -41.8032 -6.44816 -0.860562 GPRESSAVG: 3177200 -0.740444 -3.00746 -41.3812 -1.31286 -15.3557 -5.32566 -42.2392 -7.26066 -1.49403 TIMING: 3177200 CPU: 10107.2, 0.00316934/step Wall: 10107.2, 0.00316934/step, 1.60474 hours remaining, 240.808594 MB of memory in use. ENERGY: 3177200 3951.1084 20555.8103 14471.0511 239.4859 -203429.8813 2294.6673 0.0000 0.0000 52174.2355 -109743.5227 299.8460 -161917.7582 -109380.9212 298.9915 77.2720 99.0477 759838.9507 -5.8830 -5.8634 PRESSURE: 3177400 -59.3939 16.9169 -69.9002 16.9166 -64.6258 322.908 -69.9001 322.907 83.9328 GPRESSURE: 3177400 -56.0525 -53.4087 -44.2763 -104.401 -21.4307 334.886 -66.7986 415.405 110.472 PRESSAVG: 3177400 -0.979689 19.4838 -34.3071 19.4838 -19.3234 -20.7336 -34.3071 -20.7335 1.22899 GPRESSAVG: 3177400 -1.51184 18.7626 -33.7439 20.4064 -18.6839 -19.377 -32.7005 -20.8307 1.36808 TIMING: 3177400 CPU: 10107.8, 0.00315096/step Wall: 10107.8, 0.00315096/step, 1.59526 hours remaining, 240.808594 MB of memory in use. ENERGY: 3177400 3884.4115 20540.8179 14448.3884 241.2535 -203484.9980 2467.6807 0.0000 0.0000 52160.4031 -109742.0428 299.7666 -161902.4460 -109375.6612 298.7834 -13.3623 10.9962 761833.5771 -6.3580 -6.2759 PRESSURE: 3177600 -206.026 -84.1746 -56.8941 -84.1752 -420.195 37.4483 -56.894 37.4489 -241.459 GPRESSURE: 3177600 -206.488 -160.492 -54.1818 -141.39 -348.741 43.8933 -106.549 79.0184 -237.708 PRESSAVG: 3177600 -44.9229 -2.19292 -2.34507 -2.19291 54.5863 -21.7979 -2.34512 -21.798 12.778 GPRESSAVG: 3177600 -45.3834 -1.67938 -3.0544 -2.71438 54.1716 -22.7648 -4.76547 -20.1782 13.5595 TIMING: 3177600 CPU: 10108.4, 0.00315905/step Wall: 10108.4, 0.00315905/step, 1.59918 hours remaining, 240.808594 MB of memory in use. ENERGY: 3177600 4009.9948 20467.7226 14361.9037 227.9640 -203136.2991 2391.0186 0.0000 0.0000 51840.3927 -109837.3027 297.9274 -161677.6954 -109486.0959 298.7248 -289.2267 -264.3122 762652.5091 7.4805 7.4493 PRESSURE: 3177800 -253.08 70.9727 156.648 70.9728 -155.035 163.697 156.648 163.698 -473.847 GPRESSURE: 3177800 -255.108 -103.213 142.734 97.0438 -172.945 221.987 182.61 132.876 -369.353 PRESSAVG: 3177800 2.30816 -52.6532 -0.255143 -52.6532 32.8415 43.1884 -0.255129 43.1884 -25.1079 GPRESSAVG: 3177800 1.78831 -52.1628 1.41075 -50.728 32.803 43.1904 0.960763 41.6802 -24.382 TIMING: 3177800 CPU: 10109.1, 0.00315041/step Wall: 10109.1, 0.00315041/step, 1.59463 hours remaining, 240.808594 MB of memory in use. ENERGY: 3177800 3961.6978 20478.7964 14432.1767 243.3578 -202797.0572 2211.0341 0.0000 0.0000 51672.9198 -109797.0747 296.9650 -161469.9945 -109430.5563 298.7940 -293.9873 -265.8021 762014.1305 3.3472 3.4031 PRESSURE: 3178000 33.0603 95.7291 139.763 95.729 -25.507 -117.791 139.762 -117.791 -151.932 GPRESSURE: 3178000 -18.246 115.479 96.3101 151.097 29.8583 -62.9328 92.1341 -188.892 -69.8487 PRESSAVG: 3178000 -58.1552 69.4211 81.3413 69.421 43.2014 23.4461 81.3413 23.4461 -36.5201 GPRESSAVG: 3178000 -57.3824 71.1063 79.2471 69.8912 43.7076 23.4042 81.6172 25.6645 -37.825 TIMING: 3178000 CPU: 10109.7, 0.00316643/step Wall: 10109.7, 0.00316643/step, 1.60257 hours remaining, 240.808594 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: 3178000 4000.8923 20350.5692 14421.2795 247.9382 -203669.0303 2692.9232 0.0000 0.0000 52115.5015 -109839.9265 299.5085 -161955.4280 -109474.9050 298.3956 -48.1264 -19.4121 760621.0983 -17.1580 -17.1666 PRESSURE: 3178200 -379.981 -12.1864 -62.5811 -12.186 -126.43 217.992 -62.582 217.992 48.3062 GPRESSURE: 3178200 -322.786 -11.8362 -61.1358 74.2147 -82.5381 243.233 64.7521 232.608 41.1594 PRESSAVG: 3178200 -11.3663 19.5436 52.0608 19.5436 -20.9601 39.5625 52.0608 39.5625 7.91115 GPRESSAVG: 3178200 -11.554 17.9048 52.298 18.9583 -20.9708 39.7689 53.6245 38.7106 7.62505 TIMING: 3178200 CPU: 10110.3, 0.0031583/step Wall: 10110.3, 0.0031583/step, 1.59828 hours remaining, 240.808594 MB of memory in use. ENERGY: 3178200 3903.9846 20600.5455 14425.8021 250.3509 -203177.4524 2291.0860 0.0000 0.0000 51936.4604 -109769.2228 298.4796 -161705.6833 -109403.1358 298.7018 -152.7016 -121.3882 760409.7512 -8.1384 -8.2999 PRESSURE: 3178400 -14.8027 -122.401 -56.3428 -122.401 -367.273 89.9889 -56.3435 89.9883 13.8292 GPRESSURE: 3178400 -25.2671 -82.6637 -48.4522 -124.759 -234.421 8.48723 -67.3676 45.7303 -17.0501 PRESSAVG: 3178400 11.6999 30.7359 -12.8497 30.7359 20.2257 23.9194 -12.8497 23.9194 -25.2432 GPRESSAVG: 3178400 11.0409 31.7416 -11.5227 30.3934 19.4847 23.4963 -14.5583 23.7453 -23.8142 TIMING: 3178400 CPU: 10111, 0.00314762/step Wall: 10111, 0.00314762/step, 1.5927 hours remaining, 240.808594 MB of memory in use. ENERGY: 3178400 3963.8919 20448.7327 14488.9932 253.8378 -203250.2954 2412.2582 0.0000 0.0000 51897.2008 -109785.3808 298.2539 -161682.5816 -109419.5406 298.8100 -122.7490 -92.2462 758621.3041 2.2275 2.2372 PRESSURE: 3178600 -69.7533 -97.2581 105.107 -97.2586 -199.817 10.1671 105.108 10.1665 151.419 GPRESSURE: 3178600 -99.8182 -12.8737 146.623 16.8534 -117.92 79.6752 198.077 -6.26092 189.334 PRESSAVG: 3178600 12.6146 33.093 -13.4953 33.0931 9.97313 14.1071 -13.4952 14.1071 -0.493662 GPRESSAVG: 3178600 12.6534 32.6334 -13.9403 32.6821 10.7472 13.7298 -12.2117 12.5807 -2.03064 TIMING: 3178600 CPU: 10111.6, 0.00315546/step Wall: 10111.6, 0.00315546/step, 1.59649 hours remaining, 240.808594 MB of memory in use. ENERGY: 3178600 3982.2574 20347.0189 14475.2714 243.2813 -203330.9270 2455.9005 0.0000 0.0000 52237.3600 -109589.8375 300.2088 -161827.1974 -109215.6094 298.4138 -39.3837 -9.4681 759730.4427 7.3647 7.1233 PRESSURE: 3178800 -352.325 -22.2014 -101.94 -22.2012 -90.279 79.5424 -101.939 79.5424 0.814099 GPRESSURE: 3178800 -239.052 -100.96 -89.4834 -16.4222 -150.62 63.9665 -71.663 245.282 31.186 PRESSAVG: 3178800 -5.81533 27.032 30.5631 27.032 20.8006 14.5086 30.5631 14.5086 -13.5071 GPRESSAVG: 3178800 -5.3152 27.8718 31.2989 27.4608 19.5081 14.7591 27.6381 14.4806 -12.9509 TIMING: 3178800 CPU: 10112.2, 0.00317797/step Wall: 10112.2, 0.00317797/step, 1.6077 hours remaining, 240.808594 MB of memory in use. ENERGY: 3178800 4053.1689 20439.4048 14503.0195 254.1414 -203518.4553 2538.7410 0.0000 0.0000 51971.8177 -109758.1619 298.6828 -161729.9796 -109387.0940 298.6109 -147.2632 -119.4955 759558.3605 0.4927 0.4140 PRESSURE: 3179000 -20.5177 -0.0672865 -227.608 -0.0675783 -143.596 140.271 -227.608 140.273 33.5146 GPRESSURE: 3179000 -6.52296 -15.1821 -295.853 -67.0377 -138.477 114.58 -168.768 75.5926 91.3769 PRESSAVG: 3179000 46.417 -3.54223 -20.3819 -3.54226 -30.795 34.8612 -20.382 34.8612 -4.58357 GPRESSAVG: 3179000 46.5254 -4.55382 -20.7469 -5.65526 -30.4076 35.6895 -20.8833 35.5139 -5.3852 TIMING: 3179000 CPU: 10112.9, 0.00318093/step Wall: 10112.9, 0.00318093/step, 1.60902 hours remaining, 240.808594 MB of memory in use. ENERGY: 3179000 4039.5899 20568.7680 14475.4415 249.7680 -203355.6820 2509.7490 0.0000 0.0000 51955.5395 -109556.8262 298.5892 -161512.3656 -109198.5553 298.5167 -43.5329 -17.8743 760113.5162 3.6795 3.5775 PRESSURE: 3179200 -364.179 -163.269 25.6826 -163.269 -421.214 145.739 25.6837 145.739 -469.057 GPRESSURE: 3179200 -334.524 -43.9099 19.6646 -138.435 -414.252 189.291 122.643 89.8134 -442.986 PRESSAVG: 3179200 15.6153 -27.2443 32.0856 -27.2444 -33.1027 6.37017 32.0856 6.37019 25.3593 GPRESSAVG: 3179200 14.029 -28.5158 30.8448 -25.959 -32.3715 5.03878 34.7731 5.96147 26.4188 TIMING: 3179200 CPU: 10113.5, 0.00317105/step Wall: 10113.5, 0.00317105/step, 1.60385 hours remaining, 240.808594 MB of memory in use. ENERGY: 3179200 4032.4254 20547.8215 14416.9626 246.7344 -202851.8846 2124.3715 0.0000 0.0000 51632.3181 -109851.2511 296.7316 -161483.5693 -109495.0447 298.6327 -418.1503 -397.2540 760387.8604 2.6240 2.6921 PRESSURE: 3179400 -324.609 -178.627 45.1147 -178.627 18.1144 51.7592 45.1148 51.7596 -529.588 GPRESSURE: 3179400 -277.103 -129.569 -34.6299 -109.025 36.8738 -2.97076 83.4228 91.1494 -510.958 PRESSAVG: 3179400 15.0744 -12.0591 57.9746 -12.0591 -4.93933 42.7837 57.9747 42.7837 11.8547 GPRESSAVG: 3179400 17.4698 -11.4598 59.2772 -11.7279 -5.71415 42.444 58.7068 44.3106 10.0448 TIMING: 3179400 CPU: 10114.1, 0.00315807/step Wall: 10114.1, 0.00315807/step, 1.59711 hours remaining, 240.808594 MB of memory in use. ENERGY: 3179400 3995.4673 20586.8120 14471.8144 268.1243 -203484.9469 2415.4380 0.0000 0.0000 51854.2628 -109893.0281 298.0072 -161747.2909 -109535.9585 298.0869 -278.6943 -250.3959 758916.8131 7.3299 7.2668 PRESSURE: 3179600 130.701 122.569 28.7213 122.569 27.3105 -131.392 28.7214 -131.391 -59.6928 GPRESSURE: 3179600 68.7595 63.3447 -57.2627 183.744 83.8587 -143.358 33.2372 18.7608 32.9804 PRESSAVG: 3179600 55.2075 -21.7705 1.45592 -21.7705 -35.7198 34.9921 1.4559 34.9921 -14.7817 GPRESSAVG: 3179600 55.8053 -21.1203 1.3939 -21.4011 -36.1281 36.1103 0.751077 33.9855 -14.6378 TIMING: 3179600 CPU: 10114.8, 0.0031572/step Wall: 10114.8, 0.0031572/step, 1.59649 hours remaining, 240.808594 MB of memory in use. ENERGY: 3179600 3880.0726 20658.9015 14440.8742 251.9170 -203461.3624 2610.0667 0.0000 0.0000 51788.4812 -109831.0492 297.6291 -161619.5305 -109479.6986 298.0933 32.7729 61.8662 760469.0319 1.5687 1.6798 PRESSURE: 3179800 -239.809 1.13426 124.829 1.13425 -173.208 20.7274 124.83 20.7266 -98.7204 GPRESSURE: 3179800 -241.64 -23.9949 51.5679 15.2771 -104.344 74.6842 76.9427 114.264 -78.3784 PRESSAVG: 3179800 -22.8728 32.9211 48.2373 32.921 -8.00322 -23.072 48.2373 -23.0719 -5.51735 GPRESSAVG: 3179800 -25.4507 32.8173 47.0008 32.4684 -5.62074 -24.003 48.0537 -20.9116 -5.41396 TIMING: 3179800 CPU: 10115.4, 0.00318211/step Wall: 10115.4, 0.00318211/step, 1.60891 hours remaining, 240.808594 MB of memory in use. ENERGY: 3179800 3991.8050 20575.3293 14440.8298 241.8675 -203474.4832 2416.9633 0.0000 0.0000 51977.2580 -109830.4303 298.7140 -161807.6882 -109474.8036 298.4448 -170.5791 -141.4542 761622.6716 -12.1311 -12.1618 PRESSURE: 3180000 -64.9874 74.1764 17.9136 74.1771 -146.315 214.507 17.9136 214.507 -230.897 GPRESSURE: 3180000 -45.951 35.9431 136.959 126.243 -74.4524 149.238 55.9671 159.87 -243.822 PRESSAVG: 3180000 0.857077 -33.6058 23.2647 -33.6058 1.94815 -13.1665 23.2647 -13.1665 16.3894 GPRESSAVG: 3180000 2.82627 -31.9753 24.1874 -33.8158 0.0580995 -11.6256 21.5933 -17.5256 16.6456 TIMING: 3180000 CPU: 10116, 0.00320723/step Wall: 10116, 0.00320723/step, 1.62144 hours remaining, 240.808594 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: 3180000 3990.7305 20462.8226 14520.1533 239.6323 -203125.2773 2367.5283 0.0000 0.0000 51996.2238 -109548.1864 298.8230 -161544.4103 -109188.2688 298.4638 -147.3996 -121.4083 763088.5113 6.3982 6.5100 PRESSURE: 3180200 -182.724 231.311 27.4024 231.31 -105.654 -206.756 27.4029 -206.754 31.3263 GPRESSURE: 3180200 -120.604 65.4677 79.0056 255.397 -69.3187 -92.1383 -6.11857 -39.0328 8.13695 PRESSAVG: 3180200 1.27704 -10.2189 11.9719 -10.219 -32.7439 14.5812 11.9719 14.5812 -5.95078 GPRESSAVG: 3180200 1.07697 -12.3875 13.4941 -10.3303 -32.3359 13.9141 12.1204 16.5734 -5.54515 TIMING: 3180200 CPU: 10116.7, 0.00321571/step Wall: 10116.7, 0.00321571/step, 1.62554 hours remaining, 240.808594 MB of memory in use. ENERGY: 3180200 3947.5802 20662.4453 14462.2201 243.2510 -203351.6501 2534.5163 0.0000 0.0000 51842.3011 -109659.3361 297.9384 -161501.6372 -109307.9423 298.9137 -85.6842 -60.5954 762888.7264 -12.4726 -12.2680 LDB: ============= START OF LOAD BALANCING ============== 10129.1 LDB: ============== END OF LOAD BALANCING =============== 10129.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10129.1 LDB: ============= START OF LOAD BALANCING ============== 10129.5 LDB: Largest compute 7034 load 0.035777 is 18.3% of average load 0.195277 LDB: Average compute 0.004375 is 2.2% of average load 0.195277 LDB: TIME 10129.5 LOAD: AVG 0.195277 MAX 0.213074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 10129.5 LOAD: AVG 0.195277 MAX 0.213074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: TIME 10129.5 LOAD: AVG 0.195277 MAX 0.213074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: ============== END OF LOAD BALANCING =============== 10129.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10129.5 PRESSURE: 3180400 -140.649 15.0226 178.019 15.0228 178.289 -41.9588 178.019 -41.9576 -165.736 GPRESSURE: 3180400 -109.26 -96.8801 167.86 150.497 195.862 -73.1771 229.139 -176.745 -133.873 PRESSAVG: 3180400 39.6615 -45.6295 29.9648 -45.6295 -32.356 -4.87588 29.9648 -4.87588 24.5142 GPRESSAVG: 3180400 39.028 -45.4966 27.2784 -45.4591 -31.9051 -6.58176 31.2032 -2.49681 24.1456 TIMING: 3180400 CPU: 10117.3, 0.00326549/step Wall: 10117.3, 0.00326549/step, 1.65053 hours remaining, 240.039062 MB of memory in use. ENERGY: 3180400 3961.0015 20514.5813 14474.3033 244.4969 -203544.7535 2587.9198 0.0000 0.0000 52060.4608 -109701.9898 299.1922 -161762.4507 -109336.2317 298.8410 -42.6986 -15.7570 760722.8643 10.6066 10.4228 PRESSURE: 3180600 88.6124 -198.912 -22.92 -198.911 -101.161 55.6054 -22.9196 55.6061 -71.8188 GPRESSURE: 3180600 76.8745 -121.977 -22.7358 -121.567 -38.7512 31.3504 23.8456 -21.6604 -25.2522 PRESSAVG: 3180600 3.1361 26.9337 1.64177 26.9337 2.38041 -4.41862 1.6418 -4.41854 -10.5178 GPRESSAVG: 3180600 1.634 25.9042 3.24887 27.4925 2.29596 -3.44193 1.08706 -6.72945 -9.13632 TIMING: 3180600 CPU: 10118, 0.00317402/step Wall: 10118, 0.00317402/step, 1.60412 hours remaining, 240.039062 MB of memory in use. ENERGY: 3180600 3907.2081 20374.8079 14495.0871 243.3446 -204021.4354 2793.9497 0.0000 0.0000 52269.2538 -109937.7842 300.3921 -162207.0380 -109577.0093 298.9014 -28.1224 4.2904 759966.4386 -1.6671 -1.7355 PRESSURE: 3180800 244.022 -284.04 -132.981 -284.039 90.0933 151.906 -132.981 151.906 -117.094 GPRESSURE: 3180800 297.2 -183.239 -175.36 -206.77 134.402 42.0628 -28.9397 107.547 -117.675 PRESSAVG: 3180800 5.88736 -87.0659 0.0436534 -87.0659 0.834189 9.71347 0.0436446 9.71348 0.741243 GPRESSAVG: 3180800 6.20907 -83.6564 0.339588 -88.6866 1.37693 10.4898 -0.806154 9.06204 0.610856 TIMING: 3180800 CPU: 10118.6, 0.00323768/step Wall: 10118.6, 0.00323768/step, 1.63611 hours remaining, 240.039062 MB of memory in use. ENERGY: 3180800 3891.2854 20343.5975 14489.7916 250.3516 -203795.0305 2998.8545 0.0000 0.0000 52051.3048 -109769.8451 299.1396 -161821.1499 -109404.7716 298.9274 72.3407 104.6425 759987.8608 2.4876 2.7323 PRESSURE: 3181000 179.011 99.1653 -100.136 99.1658 75.2646 115.271 -100.135 115.271 -70.5997 GPRESSURE: 3181000 240.051 56.2537 -159.935 22.6874 14.9689 146.105 30.7652 -39.8952 -4.7127 PRESSAVG: 3181000 10.324 -68.4209 8.79846 -68.4209 -7.46856 3.147 8.79847 3.14701 -6.79888 GPRESSAVG: 3181000 11.2514 -71.4634 7.84382 -66.9436 -8.84727 3.10884 9.63136 3.92607 -6.97423 TIMING: 3181000 CPU: 10119.3, 0.00322505/step Wall: 10119.3, 0.00322505/step, 1.62955 hours remaining, 240.039062 MB of memory in use. ENERGY: 3181000 3980.7494 20562.4853 14525.9752 260.4646 -203638.9812 2612.1490 0.0000 0.0000 51755.3903 -109941.7674 297.4389 -161697.1577 -109599.6369 298.5106 61.2252 83.4357 761689.4454 -1.3145 -1.5234 PRESSURE: 3181200 132.35 -32.0891 -119.071 -32.0885 -86.4326 78.8319 -119.071 78.8317 -10.6849 GPRESSURE: 3181200 154.124 -105.269 -169.385 21.7863 -73.5776 80.5838 -82.5657 46.8668 37.0519 PRESSAVG: 3181200 26.2677 -14.5766 -55.383 -14.5766 -21.3975 36.4845 -55.383 36.4845 6.29341 GPRESSAVG: 3181200 26.7834 -13.7317 -55.8652 -16.6297 -23.1182 36.0259 -54.4461 35.7602 6.9824 TIMING: 3181200 CPU: 10119.9, 0.00321499/step Wall: 10119.9, 0.00321499/step, 1.62428 hours remaining, 240.039062 MB of memory in use. ENERGY: 3181200 3967.5199 20318.0299 14475.3559 238.0461 -203186.0768 2459.5636 0.0000 0.0000 51800.8520 -109926.7095 297.7002 -161727.5615 -109566.3397 297.9824 11.7442 39.1994 761460.2216 3.7212 3.5492 PRESSURE: 3181400 -114.943 198.01 -205.391 198.01 -336.438 -90.4675 -205.39 -90.4679 -152.252 GPRESSURE: 3181400 -58.9566 226.463 -290.863 153.594 -301.21 -68.9065 -145.01 -102.965 -170.107 PRESSAVG: 3181400 27.3229 -8.47603 -6.58236 -8.47607 -51.7258 0.918651 -6.58238 0.918575 -6.44502 GPRESSAVG: 3181400 27.0002 -8.15713 -6.87235 -8.54041 -51.1015 1.93652 -5.55065 0.0302021 -6.86976 TIMING: 3181400 CPU: 10120.6, 0.00321119/step Wall: 10120.6, 0.00321119/step, 1.62218 hours remaining, 240.039062 MB of memory in use. ENERGY: 3181400 4054.6279 20264.5963 14494.0245 269.2022 -203095.9124 2252.5817 0.0000 0.0000 51878.4016 -109882.4782 298.1459 -161760.8798 -109521.7795 297.9792 -201.2113 -176.7578 762161.5176 -10.2826 -10.3237 PRESSURE: 3181600 -33.374 -26.0175 -78.7499 -26.0187 -506.102 -104.403 -78.7499 -104.404 -87.6765 GPRESSURE: 3181600 23.069 -90.4952 -68.6547 145.288 -454.79 -160.884 -81.8948 -9.04524 -87.4076 PRESSAVG: 3181600 74.9117 -22.9357 51.4028 -22.9357 -75.7967 28.905 51.4027 28.905 31.6228 GPRESSAVG: 3181600 72.5634 -24.5209 52.0571 -20.4574 -74.301 27.4579 50.0153 30.945 32.3845 TIMING: 3181600 CPU: 10121.2, 0.00323545/step Wall: 10121.2, 0.00323545/step, 1.63426 hours remaining, 240.039062 MB of memory in use. ENERGY: 3181600 4033.5256 20377.4390 14450.6911 248.6727 -203275.3474 2523.6837 0.0000 0.0000 51643.9679 -109997.3674 296.7986 -161641.3353 -109636.2018 297.7847 -209.0510 -173.0427 763072.1159 10.2459 10.2156 PRESSURE: 3181800 -225.05 -7.10943 178.424 -7.10931 -151.576 -46.8622 178.424 -46.8627 70.0839 GPRESSURE: 3181800 -96.2954 -27.6559 120.95 30.6108 -208.275 -45.8824 236.438 111.039 70.1299 PRESSAVG: 3181800 83.9214 -55.3054 1.53066 -55.3054 -34.4127 30.9425 1.53062 30.9425 -35.467 GPRESSAVG: 3181800 85.6142 -51.8436 0.153302 -56.9293 -34.7055 32.7235 3.87496 30.649 -37.0488 TIMING: 3181800 CPU: 10121.8, 0.00321119/step Wall: 10121.8, 0.00321119/step, 1.62183 hours remaining, 240.039062 MB of memory in use. ENERGY: 3181800 3951.7672 20445.8856 14436.0080 263.5635 -203805.0733 2739.8406 0.0000 0.0000 52000.7704 -109967.2380 298.8491 -161968.0084 -109611.9480 297.9051 -102.1808 -78.1468 763121.2768 4.6806 4.6200 PRESSURE: 3182000 51.0656 82.8964 -27.6576 82.8966 -106.995 304.731 -27.6569 304.731 214.07 GPRESSURE: 3182000 37.0363 53.0455 79.4601 -22.4711 -20.6974 300.807 -62.8349 252.082 210.617 PRESSAVG: 3182000 -21.1718 -0.52266 -11.0332 -0.522672 -20.7667 51.8959 -11.0332 51.8957 7.50209 GPRESSAVG: 3182000 -21.0307 -3.45315 -7.82227 1.96546 -22.0222 50.088 -14.4039 51.8729 8.78551 TIMING: 3182000 CPU: 10122.5, 0.00323522/step Wall: 10122.5, 0.00323522/step, 1.63378 hours remaining, 240.039062 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: 3182000 3975.4915 20361.3001 14443.0173 252.1219 -203374.2040 2696.4488 0.0000 0.0000 51762.4979 -109883.3265 297.4798 -161645.8244 -109523.1281 298.4024 52.7137 75.6520 762247.6750 -11.4788 -11.4225 PRESSURE: 3182200 -79.0182 -80.3499 112.851 -80.3507 89.52 -35.96 112.852 -35.9593 171.73 GPRESSURE: 3182200 6.23958 -131.917 81.7585 9.77722 61.9587 16.3667 66.0819 -51.3382 209.288 PRESSAVG: 3182200 48.7565 -2.13039 -14.4132 -2.13039 -53.9759 38.7382 -14.4132 38.7382 -3.13375 GPRESSAVG: 3182200 48.7337 -0.533741 -16.0885 -5.1777 -54.3604 39.8018 -12.6454 37.6051 -3.05619 TIMING: 3182200 CPU: 10123.1, 0.00320846/step Wall: 10123.1, 0.00320846/step, 1.62009 hours remaining, 240.039062 MB of memory in use. ENERGY: 3182200 3989.1794 20296.9528 14447.1566 251.1709 -203621.2758 2759.7503 0.0000 0.0000 52188.9785 -109688.0872 299.9308 -161877.0657 -109327.0946 298.3527 60.7440 92.4955 761625.5050 -2.7844 -2.8943 PRESSURE: 3182400 -491.434 -159.075 -24.7852 -159.075 -126.906 112.596 -24.7853 112.595 10.2362 GPRESSURE: 3182400 -487.343 -218.124 -44.047 -106.213 -32.1006 162.125 -53.41 152.919 -3.92888 PRESSAVG: 3182400 -18.9941 -38.1356 0.59905 -38.1356 71.3071 1.32313 0.599091 1.32314 -0.852747 GPRESSAVG: 3182400 -20.4212 -37.9196 -0.040508 -35.7176 72.8684 0.949386 0.617257 2.22182 -1.18775 TIMING: 3182400 CPU: 10123.8, 0.00322384/step Wall: 10123.8, 0.00322384/step, 1.62768 hours remaining, 240.039062 MB of memory in use. ENERGY: 3182400 4045.2263 20321.9753 14539.8346 238.8157 -203225.3912 2412.9882 0.0000 0.0000 52105.1499 -109561.4012 299.4490 -161666.5510 -109197.6171 298.8413 -202.7010 -174.4576 760711.6833 17.1534 17.0865 PRESSURE: 3182600 76.2671 -66.9938 21.3313 -66.9935 -161.292 -73.6444 21.3313 -73.6456 78.0799 GPRESSURE: 3182600 70.3023 -89.1784 12.4779 -70.1444 -133.943 -57.9454 45.2711 -139.432 145.23 PRESSAVG: 3182600 4.40046 -57.4275 -33.823 -57.4274 -54.2814 -4.19845 -33.8231 -4.1984 5.39107 GPRESSAVG: 3182600 3.21067 -57.8513 -34.8322 -58.5406 -55.0748 -3.79087 -33.4558 -5.82626 7.32613 TIMING: 3182600 CPU: 10124.4, 0.00323399/step Wall: 10124.4, 0.00323399/step, 1.63263 hours remaining, 240.039062 MB of memory in use. ENERGY: 3182600 3925.8396 20475.4485 14504.6887 246.1269 -203539.8624 2647.4922 0.0000 0.0000 52149.4914 -109590.7751 299.7038 -161740.2665 -109238.9654 298.7195 -2.3151 27.1966 759795.7601 -14.8300 -14.8460 PRESSURE: 3182800 -382.534 102.59 78.9622 102.591 58.017 24.5221 78.9625 24.5218 193.097 GPRESSURE: 3182800 -356.524 66.3328 -31.1306 133.96 95.1929 -31.6359 -50.4374 -56.7343 211.976 PRESSAVG: 3182800 -42.2958 -23.673 -8.28815 -23.6729 -0.996527 -37.9019 -8.28819 -37.9018 -16.2238 GPRESSAVG: 3182800 -41.4976 -24.9124 -7.60486 -23.5998 -0.136823 -37.7486 -9.15164 -36.0629 -17.7259 TIMING: 3182800 CPU: 10125.1, 0.00320674/step Wall: 10125.1, 0.00320674/step, 1.61869 hours remaining, 240.039062 MB of memory in use. ENERGY: 3182800 3903.5914 20431.1671 14499.0483 247.2509 -203289.7850 2296.2762 0.0000 0.0000 52451.1253 -109461.3257 301.4373 -161912.4510 -109090.5567 299.4620 -43.8066 -16.4517 761408.4483 -19.8387 -19.7868 PRESSURE: 3183000 -169.533 36.5828 -185.908 36.5821 -345.875 57.8407 -185.907 57.8411 194.703 GPRESSURE: 3183000 -111.833 35.291 -178.922 -9.53611 -326.233 72.5533 -192.78 25.1449 196.507 PRESSAVG: 3183000 36.8685 -22.068 7.83718 -22.068 4.44731 -48.3567 7.83713 -48.3567 9.04424 GPRESSAVG: 3183000 37.3753 -20.3026 7.77257 -20.6429 3.20721 -48.6468 8.07527 -50.8464 9.89516 TIMING: 3183000 CPU: 10125.7, 0.00321614/step Wall: 10125.7, 0.00321614/step, 1.62326 hours remaining, 240.039062 MB of memory in use. ENERGY: 3183000 4081.4304 20425.8495 14421.4751 240.4119 -203212.7306 2510.7423 0.0000 0.0000 51970.3541 -109562.4675 298.6743 -161532.8215 -109201.1133 299.5335 -106.9018 -80.5192 759796.8911 16.7867 16.8259 PRESSURE: 3183200 -185.964 -162.07 -126.065 -162.07 -97.3299 -128.772 -126.066 -128.772 -170.742 GPRESSURE: 3183200 -117.471 -160.504 25.7236 -165.092 -68.7876 -120.367 -228.852 -47.4728 -168.576 PRESSAVG: 3183200 -5.89728 -18.1944 7.11117 -18.1944 3.27608 51.9307 7.11116 51.9307 -11.8286 GPRESSAVG: 3183200 -5.42602 -17.4295 7.81791 -21.0104 3.03214 51.2743 7.20956 53.3969 -12.0809 TIMING: 3183200 CPU: 10126.4, 0.00324106/step Wall: 10126.4, 0.00324106/step, 1.63566 hours remaining, 240.039062 MB of memory in use. ENERGY: 3183200 3987.3653 20466.4210 14497.6472 246.0535 -203176.6639 2332.5326 0.0000 0.0000 52111.5996 -109535.0446 299.4861 -161646.6443 -109181.5382 299.0806 -151.3451 -118.2781 760299.5967 -4.8166 -4.8249 PRESSURE: 3183400 295.194 186.281 193.526 186.281 13.5478 135.947 193.526 135.947 -29.3608 GPRESSURE: 3183400 392.248 82.1881 122.942 187.878 8.83564 38.1496 206.808 108.411 -35.5324 PRESSAVG: 3183400 10.0069 -86.6782 17.4192 -86.6783 -16.9804 33.2768 17.4192 33.2767 15.2809 GPRESSAVG: 3183400 9.69804 -89.5783 15.9751 -84.6646 -16.6733 33.5542 18.1879 34.7707 15.032 TIMING: 3183400 CPU: 10127, 0.00325785/step Wall: 10127, 0.00325785/step, 1.64395 hours remaining, 240.039062 MB of memory in use. ENERGY: 3183400 3915.0248 20482.0451 14468.7391 232.2974 -203387.9767 2569.6446 0.0000 0.0000 52122.0910 -109598.1348 299.5464 -161720.2258 -109230.2590 298.8460 93.1270 121.8504 761063.6970 2.7691 2.6856 PRESSURE: 3183600 -9.71889 56.4934 248.396 56.4931 -142.8 48.4415 248.396 48.4422 287.589 GPRESSURE: 3183600 -8.57963 -57.6849 260.985 99.1603 -39.6578 66.7981 118.919 142.669 285.721 PRESSAVG: 3183600 31.6829 -39.8336 1.04192 -39.8336 -18.2329 21.6014 1.04198 21.6014 19.1184 GPRESSAVG: 3183600 30.7091 -40.4624 2.50031 -37.3061 -17.6681 23.9963 -0.688815 20.6738 19.3524 TIMING: 3183600 CPU: 10127.7, 0.0032383/step Wall: 10127.7, 0.0032383/step, 1.6339 hours remaining, 240.039062 MB of memory in use. ENERGY: 3183600 3902.6113 20385.3214 14440.5901 274.0151 -203351.5157 2526.1754 0.0000 0.0000 52191.2819 -109631.5204 299.9440 -161822.8023 -109266.8106 299.1446 45.0235 79.1611 759657.5701 10.8561 10.7978 PRESSURE: 3183800 -143.204 -26.8765 90.1684 -26.877 181.46 -114.012 90.1683 -114.012 -359.1 GPRESSURE: 3183800 -146.53 61.7031 72.4987 -50.8351 267.145 -93.113 23.4068 -153.724 -349.837 PRESSAVG: 3183800 2.31392 1.48177 1.94967 1.48179 0.573372 16.9847 1.94968 16.9846 9.53361 GPRESSAVG: 3183800 2.34429 3.62548 2.0832 0.0314003 0.884782 14.0192 2.93242 16.742 9.11456 TIMING: 3183800 CPU: 10128.3, 0.00319777/step Wall: 10128.3, 0.00319778/step, 1.61328 hours remaining, 240.039062 MB of memory in use. ENERGY: 3183800 3983.9381 20362.0343 14510.1589 260.1176 -203608.4861 2648.3234 0.0000 0.0000 52301.3179 -109542.5959 300.5764 -161843.9138 -109185.8053 299.2859 -106.9482 -76.4071 759963.7587 4.1403 4.1145 PRESSURE: 3184000 -20.4959 -60.8021 -255.102 -60.8019 -122.616 29.9284 -255.101 29.9267 158.77 GPRESSURE: 3184000 -46.6794 -126.576 -240.934 -91.5654 -46.0104 149.472 -256.264 29.1285 170.74 PRESSAVG: 3184000 21.289 -43.0009 -24.6815 -43.001 -25.6081 -12.103 -24.6815 -12.103 -24.5051 GPRESSAVG: 3184000 22.3153 -43.2835 -24.7723 -42.0552 -26.681 -9.90063 -24.3828 -12.6611 -23.8296 TIMING: 3184000 CPU: 10128.9, 0.00316327/step Wall: 10128.9, 0.00316327/step, 1.59569 hours remaining, 240.039062 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: 3184000 3967.5239 20709.6560 14482.8386 248.7509 -203216.4380 2439.2065 0.0000 0.0000 51806.0518 -109562.4103 297.7301 -161368.4621 -109219.6985 299.1662 5.2192 26.0167 760341.4422 -9.6081 -9.3985 PRESSURE: 3184200 -225.86 -184.886 189.896 -184.886 34.6439 2.11765 189.896 2.1178 -379.504 GPRESSURE: 3184200 -200.093 -191.714 197.714 -174.361 24.1191 11.2228 246.856 108.261 -331.691 PRESSAVG: 3184200 0.704136 -3.37302 44.905 -3.373 -33.513 -18.0062 44.905 -18.0062 -11.5544 GPRESSAVG: 3184200 0.549292 -2.46314 44.7828 -5.45478 -33.293 -18.711 43.8142 -16.8066 -11.5169 TIMING: 3184200 CPU: 10129.6, 0.00318445/step Wall: 10129.6, 0.00318445/step, 1.6062 hours remaining, 240.039062 MB of memory in use. ENERGY: 3184200 3881.1542 20624.1973 14523.6502 237.4504 -203371.4457 2380.9680 0.0000 0.0000 52104.0807 -109619.9450 299.4429 -161724.0257 -109257.2690 298.7446 -190.2400 -169.2215 759249.1046 -14.7877 -14.7535 LDB: ============= START OF LOAD BALANCING ============== 10142 LDB: ============== END OF LOAD BALANCING =============== 10142 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10142 LDB: ============= START OF LOAD BALANCING ============== 10142.3 LDB: Largest compute 7034 load 0.039030 is 20.0% of average load 0.195365 LDB: Average compute 0.004385 is 2.2% of average load 0.195365 LDB: TIME 10142.3 LOAD: AVG 0.195365 MAX 0.212925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 10142.3 LOAD: AVG 0.195365 MAX 0.212925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: TIME 10142.3 LOAD: AVG 0.195365 MAX 0.212925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: ============== END OF LOAD BALANCING =============== 10142.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10142.4 PRESSURE: 3184400 22.3534 293.361 39.9376 293.361 -118.964 -63.8313 39.9381 -63.8307 320.306 GPRESSURE: 3184400 106.863 267.312 -2.09203 218.927 -46.0639 -42.238 -5.20607 -11.7964 267.251 PRESSAVG: 3184400 -40.1573 -35.822 -24.4072 -35.822 1.57017 -28.4968 -24.4073 -28.4969 -24.7542 GPRESSAVG: 3184400 -41.1814 -37.5632 -24.1195 -35.7424 1.18008 -29.2124 -22.1035 -28.2583 -23.7006 TIMING: 3184400 CPU: 10130.2, 0.00328847/step Wall: 10130.2, 0.00328847/step, 1.65848 hours remaining, 241.832031 MB of memory in use. ENERGY: 3184400 3875.3940 20331.3295 14433.0374 250.4495 -203265.8649 2622.0974 0.0000 0.0000 52208.1585 -109545.3986 300.0410 -161753.5571 -109180.0485 299.1406 74.5653 109.3499 760025.8868 -21.1138 -21.2340 PRESSURE: 3184600 90.2572 -87.9727 -93.4052 -87.9726 -269.074 -48.1039 -93.4053 -48.1045 -217.881 GPRESSURE: 3184600 163.487 -39.2073 -100.22 -90.5576 -225.303 -37.6588 -33.6264 25.13 -245.012 PRESSAVG: 3184600 8.48299 20.1703 23.1674 20.1703 -24.808 -34.938 23.1674 -34.9379 36.7786 GPRESSAVG: 3184600 9.11855 22.2654 23.1534 18.3429 -24.2603 -35.4315 19.0685 -36.3414 35.7557 TIMING: 3184600 CPU: 10130.9, 0.00321624/step Wall: 10130.9, 0.00321624/step, 1.62188 hours remaining, 242.035156 MB of memory in use. ENERGY: 3184600 3941.7243 20339.6909 14518.2336 259.8953 -203601.4336 2714.8327 0.0000 0.0000 52192.8172 -109634.2396 299.9528 -161827.0568 -109262.5869 298.9798 -132.2327 -102.2760 760515.6030 6.8179 6.8713 PRESSURE: 3184800 102.335 -102.88 136.214 -102.88 274.259 -223.821 136.214 -223.82 39.1814 GPRESSURE: 3184800 191.643 -12.6452 95.236 -162.34 283.559 -198.624 200.62 -145.536 38.6703 PRESSAVG: 3184800 48.6401 -47.3055 42.6119 -47.3056 -21.5537 -21.4683 42.612 -21.4682 3.54544 GPRESSAVG: 3184800 48.6228 -48.2772 42.9233 -46.1678 -21.7478 -22.722 44.5948 -18.4669 3.64813 TIMING: 3184800 CPU: 10131.5, 0.00321452/step Wall: 10131.5, 0.00321452/step, 1.62083 hours remaining, 242.035156 MB of memory in use. ENERGY: 3184800 3971.8551 20430.9318 14396.6726 236.8628 -203248.5599 2504.7613 0.0000 0.0000 52116.5144 -109590.9619 299.5143 -161707.4763 -109231.2288 298.6734 138.5919 171.2907 762375.4395 10.2106 10.1744 PRESSURE: 3185000 -268.112 -54.3741 66.7871 -54.3739 -162.22 81.8162 66.7871 81.8159 -252.861 GPRESSURE: 3185000 -295.966 -66.9507 136.728 -28.5108 -0.392931 94.83 9.90257 -87.0729 -310.412 PRESSAVG: 3185000 -35.7514 -68.6677 -25.0256 -68.6677 13.7089 -44.5237 -25.0257 -44.5237 -0.849305 GPRESSAVG: 3185000 -34.9068 -69.8111 -24.983 -67.5812 12.8615 -43.3075 -24.3877 -48.3683 -1.3142 TIMING: 3185000 CPU: 10132.1, 0.00319948/step Wall: 10132.1, 0.00319948/step, 1.61307 hours remaining, 242.035156 MB of memory in use. ENERGY: 3185000 4009.2078 20474.6440 14408.9138 248.2668 -202799.7653 2000.5467 0.0000 0.0000 52050.7745 -109607.4117 299.1365 -161658.1862 -109246.8708 298.9676 -227.7312 -202.2571 761534.4640 -7.6306 -7.7865 PRESSURE: 3185200 17.0741 99.285 89.1705 99.2862 -135.907 62.2966 89.1697 62.2964 -27.8412 GPRESSURE: 3185200 -36.3018 26.9894 -32.1892 -27.4944 -68.6493 95.7276 23.7992 -18.0521 52.0314 PRESSAVG: 3185200 -9.41711 8.86022 -47.9295 8.86018 2.60371 9.94216 -47.9296 9.94218 4.41904 GPRESSAVG: 3185200 -10.0246 9.70144 -47.1059 6.44925 3.04061 11.082 -50.4694 11.5904 4.48936 TIMING: 3185200 CPU: 10132.8, 0.00318646/step Wall: 10132.8, 0.00318646/step, 1.60633 hours remaining, 242.035156 MB of memory in use. ENERGY: 3185200 4014.9523 20457.5767 14440.3046 262.5488 -203303.7650 2442.7864 0.0000 0.0000 52129.5075 -109556.0886 299.5890 -161685.5962 -109188.8493 299.1152 -48.8912 -17.6399 761455.5673 -0.7981 -0.8315 PRESSURE: 3185400 -43.2646 -367.464 -121.03 -367.464 -11.3488 71.567 -121.029 71.5667 -245.307 GPRESSURE: 3185400 -5.61291 -371.445 -136.25 -286.937 1.56983 -14.111 -118.955 138.996 -209.786 PRESSAVG: 3185400 21.8881 -26.5391 -22.3709 -26.5391 -24.6545 5.66634 -22.3708 5.66636 -8.74779 GPRESSAVG: 3185400 23.651 -27.1031 -23.0413 -26.0351 -25.3599 3.9825 -22.1764 6.18223 -9.71837 TIMING: 3185400 CPU: 10133.4, 0.00316951/step Wall: 10133.4, 0.00316951/step, 1.59761 hours remaining, 242.035156 MB of memory in use. ENERGY: 3185400 3972.6690 20501.9327 14513.2269 261.0825 -202836.2013 2233.3364 0.0000 0.0000 52005.5990 -109348.3549 298.8769 -161353.9539 -108989.9963 299.6418 -99.9733 -71.2765 759849.3424 -3.8381 -3.8091 PRESSURE: 3185600 77.862 47.0707 -128.603 47.0705 -89.3063 -96.8424 -128.603 -96.8415 250.354 GPRESSURE: 3185600 123.073 39.861 -141.397 127.818 -65.0948 -120.384 -226.758 -138.493 256.338 PRESSAVG: 3185600 4.30126 28.0067 -85.2915 28.0067 -9.39068 -48.4873 -85.2915 -48.4874 -10.6331 GPRESSAVG: 3185600 2.26741 28.6353 -84.4483 28.9858 -8.25012 -49.3245 -84.3439 -48.3306 -9.55606 TIMING: 3185600 CPU: 10134, 0.00315204/step Wall: 10134, 0.00315204/step, 1.58863 hours remaining, 242.035156 MB of memory in use. ENERGY: 3185600 3988.9788 20420.6328 14522.9709 257.6334 -203261.9492 2659.6156 0.0000 0.0000 52079.4290 -109332.6887 299.3012 -161412.1177 -108967.3616 299.6939 79.6365 104.7719 760364.5494 -5.2408 -5.1796 PRESSURE: 3185800 235.158 71.5323 12.2558 71.533 48.284 369.235 12.2556 369.235 -331.858 GPRESSURE: 3185800 185.299 -22.6363 -74.8759 26.1011 173.678 347.774 -16.6181 260.943 -336.847 PRESSAVG: 3185800 36.3215 -62.0272 -9.46224 -62.0273 5.18277 -34.425 -9.46226 -34.4251 1.33939 GPRESSAVG: 3185800 36.0658 -61.3306 -10.5522 -62.694 5.58161 -34.0201 -9.84098 -35.1801 1.33746 TIMING: 3185800 CPU: 10134.7, 0.00318277/step Wall: 10134.7, 0.00318277/step, 1.60394 hours remaining, 242.035156 MB of memory in use. ENERGY: 3185800 4081.8824 20589.1965 14515.5639 253.3407 -203360.5509 2627.1685 0.0000 0.0000 52165.9995 -109127.3995 299.7987 -161293.3990 -108761.4028 300.1963 -16.1388 7.3767 762130.0541 14.2812 14.3283 PRESSURE: 3186000 -172.23 39.7695 -99.1548 39.7693 22.5202 -43.9114 -99.1539 -43.9112 -647.364 GPRESSURE: 3186000 -40.422 124.378 9.13672 116.974 -64.0961 75.1103 -50.3125 -111.6 -628.086 PRESSAVG: 3186000 -29.5804 17.3152 -70.836 17.3151 60.2887 -18.6848 -70.8361 -18.6849 -25.0932 GPRESSAVG: 3186000 -28.9825 15.6083 -69.8397 17.6995 58.9529 -18.2336 -71.0031 -19.2351 -24.6585 TIMING: 3186000 CPU: 10135.3, 0.00320066/step Wall: 10135.3, 0.00320066/step, 1.61278 hours remaining, 242.035156 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: 3186000 3933.2217 20455.8417 14616.4062 238.2862 -202906.0585 2366.8701 0.0000 0.0000 52093.9002 -109201.5322 299.3844 -161295.4325 -108834.1096 300.3188 -265.6912 -244.2015 761938.1051 1.8717 1.7706 PRESSURE: 3186200 235.124 -6.41102 27.1555 -6.41101 -158.519 125.351 27.1554 125.352 29.2659 GPRESSURE: 3186200 192.024 -49.0475 17.9713 90.5274 26.7743 53.0751 2.02691 42.0412 -33.0843 PRESSAVG: 3186200 -6.06466 -53.5435 -21.944 -53.5435 -7.29101 -1.54965 -21.944 -1.54958 3.93389 GPRESSAVG: 3186200 -6.44626 -52.8047 -21.808 -51.5408 -5.19781 -1.42974 -22.4883 -2.41313 2.63447 TIMING: 3186200 CPU: 10136, 0.00319932/step Wall: 10136, 0.00319932/step, 1.61193 hours remaining, 242.035156 MB of memory in use. ENERGY: 3186200 3953.4874 20765.4586 14507.0365 237.5140 -203256.8242 2545.3437 0.0000 0.0000 52035.7314 -109212.2525 299.0501 -161247.9839 -108852.7797 300.3261 35.2904 61.9047 760752.6773 -3.1406 -3.0032 PRESSURE: 3186400 -367.925 -55.9133 82.0798 -55.913 -375.096 -27.4931 82.0801 -27.4929 -287.08 GPRESSURE: 3186400 -311.581 -40.3625 34.1011 -56.705 -314.67 26.8123 111.38 -39.7203 -309.396 PRESSAVG: 3186400 -0.0830879 -16.0052 -42.7336 -16.0052 -3.90813 -1.87913 -42.7336 -1.87915 9.77287 GPRESSAVG: 3186400 -0.163793 -16.2107 -43.2224 -20.1898 -4.52675 -1.72658 -42.6557 -1.83228 10.2908 TIMING: 3186400 CPU: 10136.6, 0.00318239/step Wall: 10136.6, 0.00318239/step, 1.60322 hours remaining, 242.035156 MB of memory in use. ENERGY: 3186400 4157.8781 20442.5177 14525.5679 250.3400 -203348.3936 2520.9147 0.0000 0.0000 52345.6941 -109105.4810 300.8314 -161451.1751 -108735.9762 299.8999 -343.3670 -311.8824 763778.2916 1.9272 1.8667 PRESSURE: 3186600 -112.741 125.176 -223.181 125.175 194.864 89.7964 -223.18 89.7964 65.6145 GPRESSURE: 3186600 -3.73792 64.148 -193.894 26.2222 217.006 110.239 -150.87 99.1045 7.90641 PRESSAVG: 3186600 -42.6879 -16.5157 -20.1326 -16.5157 -4.22309 -2.55476 -20.1325 -2.5547 -5.23278 GPRESSAVG: 3186600 -42.3622 -17.0762 -18.265 -14.4219 -3.37476 -2.52544 -20.5192 -1.16225 -6.41138 TIMING: 3186600 CPU: 10137.2, 0.00317052/step Wall: 10137.2, 0.00317052/step, 1.59706 hours remaining, 242.035156 MB of memory in use. ENERGY: 3186600 3949.7202 20740.0717 14461.0069 262.2310 -203541.5507 2747.4472 0.0000 0.0000 52322.6034 -109058.4703 300.6987 -161381.0737 -108695.0324 300.4998 49.2460 73.7248 762155.0144 -17.3813 -17.3828 PRESSURE: 3186800 311.55 124.209 62.6061 124.21 77.3957 -9.53471 62.6069 -9.53507 -150.115 GPRESSURE: 3186800 290.731 34.6712 148.385 138.47 145.049 70.679 -20.8172 30.913 -97.2014 PRESSAVG: 3186800 55.884 -19.8764 -47.3254 -19.8764 -55.2261 34.0241 -47.3254 34.0241 -27.5976 GPRESSAVG: 3186800 56.1933 -19.0881 -48.4391 -18.7222 -56.1443 34.3782 -45.8415 33.3464 -26.9049 TIMING: 3186800 CPU: 10137.9, 0.00315967/step Wall: 10137.9, 0.00315967/step, 1.59142 hours remaining, 242.035156 MB of memory in use. ENERGY: 3186800 3905.9553 20551.6597 14466.7502 239.2898 -203235.6051 2758.0333 0.0000 0.0000 52093.8066 -109220.1102 299.3838 -161313.9169 -108856.6137 300.0092 79.6102 112.8597 763227.7645 -8.9799 -8.9520 PRESSURE: 3187000 -142.804 216.972 -25.0616 216.972 -240.645 195.948 -25.0614 195.948 -105.084 GPRESSURE: 3187000 -139.616 90.5252 106.755 149.371 -168.355 151.753 52.7451 230.528 -99.2685 PRESSAVG: 3187000 -23.3832 -4.15374 47.5242 -4.1537 14.3412 -21.8225 47.5242 -21.8226 35.4811 GPRESSAVG: 3187000 -23.4163 -5.5258 48.2776 -3.77909 15.3893 -22.298 45.8343 -23.469 34.6189 TIMING: 3187000 CPU: 10138.5, 0.0031879/step Wall: 10138.5, 0.0031879/step, 1.60546 hours remaining, 242.035156 MB of memory in use. ENERGY: 3187000 3986.8831 20570.8188 14455.7893 242.9530 -203470.7311 2609.3379 0.0000 0.0000 52115.7743 -109489.1746 299.5101 -161604.9490 -109131.0456 299.6012 -162.8443 -135.7467 761840.7021 8.8130 8.8640 PRESSURE: 3187200 87.0884 79.8634 160.621 79.8638 107.885 94.2502 160.622 94.2503 92.7935 GPRESSURE: 3187200 236.588 66.5558 203.072 135.184 20.0886 96.2323 190.207 127.934 128.254 PRESSAVG: 3187200 -11.4832 -20.8545 -10.0498 -20.8545 55.1867 -27.2068 -10.0498 -27.2068 -7.35811 GPRESSAVG: 3187200 -11.264 -20.0885 -11.9705 -23.4992 52.5554 -26.433 -8.20144 -26.3158 -4.8283 TIMING: 3187200 CPU: 10139.1, 0.00320268/step Wall: 10139.1, 0.00320268/step, 1.61273 hours remaining, 242.035156 MB of memory in use. ENERGY: 3187200 3944.4255 20635.7815 14438.3981 264.3725 -203545.5195 2589.9813 0.0000 0.0000 52145.2425 -109527.3181 299.6794 -161672.5606 -109175.8750 299.2793 95.9223 128.3101 760769.9688 12.1151 12.1544 PRESSURE: 3187400 -10.188 20.2914 -19.6104 20.2915 294.065 -158.985 -19.6106 -158.983 -483.846 GPRESSURE: 3187400 21.1031 71.9189 4.77927 -53.3132 290.185 -87.0923 36.3172 -54.8387 -417.437 PRESSAVG: 3187400 -28.3887 -13.7215 -0.334309 -13.7215 56.2541 -21.3044 -0.334333 -21.3043 -10.6164 GPRESSAVG: 3187400 -28.2725 -13.1514 -0.317972 -12.5024 56.7872 -22.9266 -1.23142 -18.3179 -11.0276 TIMING: 3187400 CPU: 10139.8, 0.00316196/step Wall: 10139.8, 0.00316196/step, 1.59205 hours remaining, 242.035156 MB of memory in use. ENERGY: 3187400 4069.5523 20488.9470 14433.6638 224.2847 -203468.7084 2725.6015 0.0000 0.0000 52018.2162 -109508.4428 298.9494 -161526.6590 -109147.0873 299.2755 -66.6563 -35.3832 761797.2376 5.7496 5.8290 PRESSURE: 3187600 199.526 195.784 233.272 195.785 -259.289 -6.36249 233.271 -6.36187 85.5242 GPRESSURE: 3187600 139.34 218.341 274.483 223.17 -158.092 24.4106 292.518 -45.5713 114.328 PRESSAVG: 3187600 -6.55934 34.5904 26.4117 34.5904 32.5353 -16.7703 26.4117 -16.7703 9.87555 GPRESSAVG: 3187600 -8.16697 32.9477 25.9719 35.8119 34.3176 -16.1046 28.7265 -18.1188 9.66668 TIMING: 3187600 CPU: 10140.4, 0.00315476/step Wall: 10140.4, 0.00315476/step, 1.58825 hours remaining, 242.035156 MB of memory in use. ENERGY: 3187600 4070.7555 20578.9806 14531.2556 247.4259 -203373.2911 2438.5172 0.0000 0.0000 52082.4270 -109423.9292 299.3184 -161506.3562 -109063.7628 299.2463 8.5871 31.8588 759931.3406 11.9505 11.9391 PRESSURE: 3187800 -413.336 -129.816 60.4868 -129.816 -179.578 163.834 60.4871 163.834 -293.331 GPRESSURE: 3187800 -387.251 -209.561 14.9903 -71.3452 -106.489 130.657 7.0708 44.5548 -306.42 PRESSAVG: 3187800 6.41384 -23.9517 12.9849 -23.9517 36.3673 -38.7857 12.9849 -38.7857 20.6758 GPRESSAVG: 3187800 7.87811 -21.1222 12.7984 -26.27 34.8508 -38.8712 10.1047 -39.3218 20.3234 TIMING: 3187800 CPU: 10141, 0.00317765/step Wall: 10141, 0.00317765/step, 1.59959 hours remaining, 242.035156 MB of memory in use. ENERGY: 3187800 4000.6641 20509.7846 14476.2569 222.8035 -203022.5887 2345.8186 0.0000 0.0000 52043.5963 -109423.6647 299.0953 -161467.2610 -109054.7275 299.2264 -295.4151 -266.7201 760389.6403 21.1523 21.0174 PRESSURE: 3188000 178.113 -39.8869 -30.9829 -39.8874 -409.331 -123.799 -30.983 -123.799 -139.2 GPRESSURE: 3188000 70.2649 -76.7827 7.48028 75.4598 -240.864 -153.298 11.3827 -75.3532 -118.714 PRESSAVG: 3188000 -8.58699 -39.9107 -9.48457 -39.9107 -29.5625 -57.9535 -9.48456 -57.9535 25.4111 GPRESSAVG: 3188000 -8.61921 -42.4736 -7.6375 -38.875 -29.1409 -58.1394 -9.47746 -57.4844 25.1217 TIMING: 3188000 CPU: 10141.7, 0.0031669/step Wall: 10141.7, 0.0031669/step, 1.594 hours remaining, 242.035156 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: 3188000 4042.8932 20619.2035 14428.4216 234.8749 -203400.8236 2493.9858 0.0000 0.0000 52404.4691 -109176.9755 301.1692 -161581.4446 -108801.3009 299.4474 -123.4725 -96.4377 761768.3855 -4.2461 -4.2128 PRESSURE: 3188200 -120.165 130.762 173.486 130.761 -50.2676 146.492 173.486 146.492 -13.7308 GPRESSURE: 3188200 -143.089 123.994 155.03 21.8173 44.3997 92.6664 145.583 29.9029 8.78557 PRESSAVG: 3188200 22.2557 6.26339 -47.5511 6.26341 15.4223 13.0079 -47.5511 13.0079 -2.42865 GPRESSAVG: 3188200 20.7597 7.51586 -49.3309 5.68965 15.778 13.0394 -47.3906 12.7927 -1.04765 TIMING: 3188200 CPU: 10142.3, 0.00315757/step Wall: 10142.3, 0.00315757/step, 1.58914 hours remaining, 242.035156 MB of memory in use. ENERGY: 3188200 4063.3714 20657.4064 14510.6081 234.6587 -203537.9163 2729.9466 0.0000 0.0000 52006.9502 -109334.9748 298.8847 -161341.9250 -108977.4925 299.8854 -61.3877 -29.9680 760361.7903 11.7498 11.8300 LDB: ============= START OF LOAD BALANCING ============== 10154.8 LDB: ============== END OF LOAD BALANCING =============== 10154.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10154.8 LDB: ============= START OF LOAD BALANCING ============== 10155.1 LDB: Largest compute 7034 load 0.037255 is 19.1% of average load 0.195318 LDB: Average compute 0.004401 is 2.3% of average load 0.195318 LDB: TIME 10155.1 LOAD: AVG 0.195318 MAX 0.212301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.125 MB LDB: TIME 10155.1 LOAD: AVG 0.195318 MAX 0.212301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.125 MB LDB: TIME 10155.1 LOAD: AVG 0.195318 MAX 0.212301 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.125 MB LDB: ============== END OF LOAD BALANCING =============== 10155.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10155.1 PRESSURE: 3188400 137.52 -139.094 -182.503 -139.094 -87.3982 -67.8217 -182.502 -67.8209 135.487 GPRESSURE: 3188400 99.724 -168.751 -85.0979 -110.381 -40.8915 -9.74364 -237.915 -47.6945 219.324 PRESSAVG: 3188400 -17.6596 -41.6985 12.0897 -41.6985 11.166 12.4522 12.0896 12.4523 -1.33328 GPRESSAVG: 3188400 -16.402 -41.7894 13.5024 -38.8056 10.3983 13.0602 11.2883 10.4964 -2.16502 TIMING: 3188400 CPU: 10143, 0.00324212/step Wall: 10143, 0.00324212/step, 1.63151 hours remaining, 239.050781 MB of memory in use. ENERGY: 3188400 4033.7362 20664.6874 14465.1130 227.8268 -203267.6540 2384.2265 0.0000 0.0000 52217.0559 -109275.0082 300.0921 -161492.0641 -108910.7497 299.3740 61.8696 92.7189 762366.5633 -2.6090 -2.7229 PRESSURE: 3188600 -366.334 197.167 142.022 197.167 -101.088 -44.5543 142.023 -44.5546 169.217 GPRESSURE: 3188600 -313.155 147.411 123.127 147.852 -7.98648 -75.51 231.587 -133.303 110.455 PRESSAVG: 3188600 2.92693 -22.4951 -7.33698 -22.495 3.67019 -35.931 -7.33701 -35.931 1.42491 GPRESSAVG: 3188600 2.38625 -21.7691 -8.87889 -24.2565 3.81081 -36.2087 -5.31533 -35.1922 2.18995 TIMING: 3188600 CPU: 10143.6, 0.00317546/step Wall: 10143.6, 0.00317546/step, 1.59779 hours remaining, 239.253906 MB of memory in use. ENERGY: 3188600 4034.8218 20619.2199 14411.2781 277.0168 -203223.3146 2382.8178 0.0000 0.0000 52068.6363 -109429.5239 299.2392 -161498.1602 -109075.9348 299.7577 -99.4015 -70.2288 761453.3541 2.6740 2.7957 PRESSURE: 3188800 238.709 35.2895 88.5491 35.2894 96.8887 -82.2061 88.5484 -82.2071 3.77385 GPRESSURE: 3188800 250.846 74.2878 124.479 -9.5276 93.2122 -22.6469 96.1639 -47.1192 82.3277 PRESSAVG: 3188800 2.87788 0.673809 17.4592 0.673811 22.0533 -27.5308 17.4592 -27.5308 18.6568 GPRESSAVG: 3188800 3.21394 -0.681373 19.0423 2.13978 22.5231 -27.0753 16.3663 -27.2852 18.1363 TIMING: 3188800 CPU: 10144.2, 0.00314865/step Wall: 10144.2, 0.00314865/step, 1.58412 hours remaining, 239.253906 MB of memory in use. ENERGY: 3188800 3992.6395 20562.0886 14519.4086 239.3570 -203395.7624 2563.5743 0.0000 0.0000 52197.1479 -109321.5466 299.9777 -161518.6945 -108975.7905 299.6084 113.1239 142.1287 759996.2400 14.5293 14.6245 PRESSURE: 3189000 179.118 -1.15225 -170.068 -1.1529 -161.199 -36.3745 -170.068 -36.374 -267.43 GPRESSURE: 3189000 215.978 -9.74571 -136.712 -77.286 -80.6972 10.9936 -111.979 -156.403 -274.107 PRESSAVG: 3189000 1.33094 3.49944 49.4939 3.4994 27.3685 -0.308196 49.4939 -0.308201 6.99543 GPRESSAVG: 3189000 1.31272 5.18964 48.5419 2.28237 27.2725 -0.734243 52.2778 -0.0892468 7.21223 TIMING: 3189000 CPU: 10144.9, 0.00316323/step Wall: 10144.9, 0.00316324/step, 1.59128 hours remaining, 239.253906 MB of memory in use. ENERGY: 3189000 4024.6847 20563.0952 14543.1314 240.5186 -203303.1143 2497.4711 0.0000 0.0000 52318.8931 -109115.3202 300.6774 -161434.2133 -108744.1171 300.5673 -83.1704 -46.2754 762535.1606 11.8983 11.9325 PRESSURE: 3189200 240.885 92.2056 171.365 92.2061 -338.086 21.7294 171.366 21.7301 309.119 GPRESSURE: 3189200 170.383 5.2526 222.453 55.7899 -223.779 66.0551 18.9164 112.302 335.267 PRESSAVG: 3189200 32.0852 -68.0242 3.39689 -68.0241 -40.7968 -16.388 3.39689 -16.3879 -8.89068 GPRESSAVG: 3189200 32.1051 -69.7204 4.77693 -66.8039 -41.0544 -15.8942 -1.41862 -15.1659 -8.608 TIMING: 3189200 CPU: 10145.5, 0.00316401/step Wall: 10145.5, 0.00316401/step, 1.59149 hours remaining, 239.253906 MB of memory in use. ENERGY: 3189200 4000.6205 20735.6678 14487.4587 250.9211 -203444.6152 2574.5835 0.0000 0.0000 52210.6168 -109184.7467 300.0551 -161395.3635 -108812.7808 300.1028 70.6394 93.9571 763011.9008 -5.8674 -5.8524 PRESSURE: 3189400 -169.219 -254.876 -155.688 -254.876 -103.901 -57.5416 -155.688 -57.5424 -60.4011 GPRESSURE: 3189400 -65.5864 -253.078 -73.4128 -170.887 -121.767 -73.037 -262.438 -101.709 -65.1615 PRESSAVG: 3189400 -22.1301 -44.4859 -35.5242 -44.4859 -25.4154 -26.2885 -35.5242 -26.2885 5.66992 GPRESSAVG: 3189400 -20.6092 -42.0306 -36.1422 -45.0267 -26.4787 -25.7909 -34.307 -26.519 5.35479 TIMING: 3189400 CPU: 10146.1, 0.00316274/step Wall: 10146.1, 0.00316274/step, 1.59068 hours remaining, 239.253906 MB of memory in use. ENERGY: 3189400 4029.0107 20605.6273 14431.6429 249.4601 -203145.0549 2397.0123 0.0000 0.0000 52018.2555 -109414.0461 298.9496 -161432.3017 -109056.5490 299.2792 -111.1735 -84.1717 763412.6857 -13.9585 -13.9111 PRESSURE: 3189600 242.687 147.175 135.061 147.175 -52.4808 -163.91 135.062 -163.909 -267.154 GPRESSURE: 3189600 296.275 103.603 134.079 83.219 -33.889 -94.8087 -34.8888 -222.621 -244.84 PRESSAVG: 3189600 8.22279 -31.3984 -8.22046 -31.3983 -31.493 -72.8185 -8.2205 -72.8184 2.60302 GPRESSAVG: 3189600 6.89062 -31.7234 -7.55687 -31.8485 -30.0763 -73.2506 -7.08925 -73.1101 2.55358 TIMING: 3189600 CPU: 10146.7, 0.00314288/step Wall: 10146.7, 0.00314288/step, 1.58052 hours remaining, 239.253906 MB of memory in use. ENERGY: 3189600 4030.0336 20480.4564 14493.2413 227.9708 -202991.6073 2269.3569 0.0000 0.0000 52020.9892 -109469.5592 298.9653 -161490.5484 -109117.0284 299.2711 -25.6493 5.8489 761859.2567 -6.8891 -6.8774 PRESSURE: 3189800 144.116 -33.7872 -7.9003 -33.7861 -54.9377 -74.3535 -7.89987 -74.3536 -2.24405 GPRESSURE: 3189800 238.529 30.2363 29.8373 1.99086 -18.5608 -18.3025 118.626 15.6319 -66.5709 PRESSAVG: 3189800 11.0685 -54.1219 -22.5879 -54.1218 -53.9734 -68.7241 -22.5878 -68.724 -24.5157 GPRESSAVG: 3189800 12.7033 -55.3335 -21.3853 -52.8454 -55.5702 -68.8762 -23.1859 -67.4388 -24.8582 TIMING: 3189800 CPU: 10147.4, 0.00315049/step Wall: 10147.4, 0.00315049/step, 1.58417 hours remaining, 239.253906 MB of memory in use. ENERGY: 3189800 3918.6806 20554.3325 14506.2023 285.5322 -203611.6010 2549.6219 0.0000 0.0000 52388.5327 -109408.6988 301.0776 -161797.2316 -109049.1504 299.3347 28.9779 51.1323 760738.5508 -22.4735 -22.5750 PRESSURE: 3190000 33.0475 -25.0817 -144.503 -25.0827 -509.083 19.3741 -144.504 19.3747 -138.574 GPRESSURE: 3190000 8.0042 -58.9163 -186.574 -48.3133 -371.642 -6.67713 -94.882 38.1813 -164.399 PRESSAVG: 3190000 34.0542 7.5518 -30.8757 7.55184 -39.8685 -26.0397 -30.8758 -26.0398 9.17067 GPRESSAVG: 3190000 32.3562 6.88868 -32.828 4.69512 -38.2979 -26.6321 -28.8365 -26.4786 9.08182 TIMING: 3190000 CPU: 10148, 0.00313649/step Wall: 10148, 0.00313649/step, 1.57696 hours remaining, 239.253906 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: 3190000 4039.2967 20397.5219 14581.3700 254.4027 -203401.6216 2561.8238 0.0000 0.0000 52138.8137 -109428.3928 299.6425 -161567.2065 -109058.2947 299.8539 -204.8698 -176.0124 762598.6171 1.1188 1.0467 PRESSURE: 3190200 64.9574 29.8306 37.3391 29.8308 306.783 156.839 37.3387 156.84 227.749 GPRESSURE: 3190200 87.3094 10.9028 -18.355 -13.5467 336.666 125.565 80.8247 90.5798 271.655 PRESSAVG: 3190200 -15.0106 -63.1127 -10.163 -63.1126 26.5983 -10.2534 -10.163 -10.2534 25.0688 GPRESSAVG: 3190200 -13.7451 -62.8102 -10.0347 -62.2471 24.9354 -10.0821 -11.6503 -10.8786 24.9342 TIMING: 3190200 CPU: 10148.6, 0.00314616/step Wall: 10148.6, 0.00314616/step, 1.58164 hours remaining, 239.253906 MB of memory in use. ENERGY: 3190200 3924.7968 20590.1424 14495.6692 268.5980 -203561.8098 2769.8834 0.0000 0.0000 52056.8324 -109455.8877 299.1713 -161512.7201 -109093.0469 299.5176 199.8298 231.8766 761092.3518 12.2188 12.0415 PRESSURE: 3190400 87.7928 20.4366 227.592 20.4372 104.705 -116.048 227.591 -116.049 -427.574 GPRESSURE: 3190400 137.88 42.9794 225.589 -23.0072 37.9641 -251.081 222.395 -9.32985 -322.052 PRESSAVG: 3190400 7.76267 -44.5831 0.793021 -44.5832 -12.6897 17.1408 0.793007 17.1408 10.8779 GPRESSAVG: 3190400 7.00146 -43.9932 0.96506 -45.3149 -12.8178 16.7498 -1.50124 16.3287 11.8396 TIMING: 3190400 CPU: 10149.3, 0.00315335/step Wall: 10149.3, 0.00315335/step, 1.58508 hours remaining, 239.253906 MB of memory in use. ENERGY: 3190400 3945.3835 20515.3005 14427.3585 251.0177 -203111.6523 2422.1589 0.0000 0.0000 52065.2163 -109485.2170 299.2195 -161550.4333 -109116.5205 298.7200 -78.3587 -48.7360 761951.2579 1.9836 2.0078 PRESSURE: 3190600 189.687 18.3478 87.4333 18.3468 73.5565 -162.043 87.4325 -162.044 1.47469 GPRESSURE: 3190600 124.038 -39.6167 39.5267 -4.25111 187.691 -195.521 24.8847 -168.059 34.4429 PRESSAVG: 3190600 36.7516 -18.6838 37.3208 -18.6838 -19.6043 -69.9248 37.3208 -69.9248 5.68534 GPRESSAVG: 3190600 36.4949 -20.0564 35.6293 -16.7522 -18.1668 -69.2001 41.2776 -69.0275 4.97545 TIMING: 3190600 CPU: 10149.9, 0.00314315/step Wall: 10149.9, 0.00314315/step, 1.57978 hours remaining, 239.253906 MB of memory in use. ENERGY: 3190600 3887.0553 20554.4605 14392.0729 249.0942 -203440.3444 2689.8404 0.0000 0.0000 51946.6106 -109721.2105 298.5379 -161667.8211 -109352.1547 298.8313 88.2394 115.3906 759891.0429 7.6109 7.7678 PRESSURE: 3190800 -356.214 116.528 -75.1455 116.529 -309.574 111.463 -75.1448 111.462 -102.728 GPRESSURE: 3190800 -274.76 21.229 -100.225 -11.9467 -294.325 64.6077 -11.336 197.91 -101.133 PRESSAVG: 3190800 -9.97686 -24.2418 30.4708 -24.2417 44.8638 -45.5392 30.4708 -45.5391 -9.15168 GPRESSAVG: 3190800 -9.57022 -24.0167 30.4532 -25.8094 45.2025 -45.8267 29.2428 -45.6542 -9.6237 TIMING: 3190800 CPU: 10150.5, 0.00315083/step Wall: 10150.5, 0.00315083/step, 1.58347 hours remaining, 239.253906 MB of memory in use. ENERGY: 3190800 3983.4142 20453.0522 14496.0969 252.5206 -203513.6345 2611.7156 0.0000 0.0000 51832.0177 -109884.8173 297.8793 -161716.8349 -109518.1603 298.1263 -256.1720 -223.4056 761403.7234 8.5784 8.6695 PRESSURE: 3191000 31.1027 -14.3453 73.254 -14.3457 -8.09776 -70.8535 73.2526 -70.8533 183.062 GPRESSURE: 3191000 46.3515 12.6025 33.3456 104.456 45.975 -75.6706 51.4323 34.1462 195.964 PRESSAVG: 3191000 -38.8788 -43.847 29.7566 -43.847 15.8476 24.774 29.7566 24.774 18.2105 GPRESSAVG: 3191000 -38.9848 -44.9122 31.5802 -38.7655 14.2204 24.6333 28.6436 24.4016 19.3576 TIMING: 3191000 CPU: 10151.2, 0.00317665/step Wall: 10151.2, 0.00317665/step, 1.59626 hours remaining, 239.253906 MB of memory in use. ENERGY: 3191000 3914.9189 20518.2649 14469.8046 236.5367 -203386.0104 2587.2944 0.0000 0.0000 51973.3358 -109685.8551 298.6915 -161659.1909 -109331.1520 298.4210 68.6890 96.0969 760561.5814 -1.6069 -1.8023 PRESSURE: 3191200 -225.241 -115.173 51.159 -115.173 -109.524 -30.2901 51.1589 -30.2901 59.4133 GPRESSURE: 3191200 -126.548 -161.141 54.0401 -97.0923 -113.331 41.9226 -31.2952 -56.6538 63.6162 PRESSAVG: 3191200 -24.6024 -42.012 17.1928 -42.012 32.5826 -29.9315 17.1929 -29.9314 -4.25193 GPRESSAVG: 3191200 -25.2595 -39.8271 17.7848 -44.5823 34.8415 -30.4896 19.2544 -27.2515 -5.89386 TIMING: 3191200 CPU: 10151.8, 0.00315849/step Wall: 10151.8, 0.00315849/step, 1.58696 hours remaining, 239.253906 MB of memory in use. ENERGY: 3191200 4015.8265 20328.3557 14506.2924 239.5254 -203422.6270 2517.4774 0.0000 0.0000 52273.7839 -109541.3655 300.4182 -161815.1495 -109175.8362 299.0327 -91.7841 -58.7543 760111.9409 1.2427 1.2294 PRESSURE: 3191400 -222.765 -34.8383 -45.5101 -34.839 -440.142 -154.713 -45.5104 -154.713 -380.108 GPRESSURE: 3191400 -83.6042 -179.981 -23.7939 -34.7099 -415.89 -111.646 81.5505 -165.773 -436.435 PRESSAVG: 3191400 0.285716 -31.7695 58.9875 -31.7695 20.7511 -31.7276 58.9875 -31.7276 -6.52314 GPRESSAVG: 3191400 2.24308 -32.5391 57.2253 -31.345 19.1925 -32.8116 58.762 -33.1498 -6.68845 TIMING: 3191400 CPU: 10152.4, 0.00316399/step Wall: 10152.4, 0.00316399/step, 1.58955 hours remaining, 239.253906 MB of memory in use. ENERGY: 3191400 4034.8486 20286.7676 14588.2876 249.9775 -203310.5455 2634.4069 0.0000 0.0000 51880.0001 -109636.2572 298.1551 -161516.2573 -109266.0540 299.1107 -347.6715 -311.9764 760874.4855 4.8379 4.9157 PRESSURE: 3191600 -303.971 -55.3637 100.805 -55.3646 -351.988 171.615 100.806 171.616 -480.467 GPRESSURE: 3191600 -310.095 69.0202 58.3232 -87.3177 -238.489 257.182 79.6837 120.618 -500.04 PRESSAVG: 3191600 17.7036 -5.2991 3.58391 -5.29908 -21.7761 9.09476 3.58391 9.09484 5.04809 GPRESSAVG: 3191600 14.9327 -6.48248 3.85778 -6.41201 -19.7774 12.6334 2.69008 8.33979 5.81095 TIMING: 3191600 CPU: 10153.1, 0.00316348/step Wall: 10153.1, 0.00316348/step, 1.58912 hours remaining, 239.253906 MB of memory in use. ENERGY: 3191600 4069.2256 20639.1122 14527.2490 270.7271 -203205.2733 2387.3346 0.0000 0.0000 51760.7311 -109550.8937 297.4696 -161311.6247 -109194.0938 298.8035 -378.8088 -349.5415 761674.2597 0.3252 0.3221 PRESSURE: 3191800 357.101 -277.166 301.048 -277.166 258.824 -36.8554 301.048 -36.8553 388.197 GPRESSURE: 3191800 430.874 -335.267 260.421 -267.609 253.842 -28.6183 301.574 -131.271 408.001 PRESSAVG: 3191800 6.17391 -30.5727 7.20234 -30.5727 -9.20825 -42.6593 7.20241 -42.6593 13.238 GPRESSAVG: 3191800 7.89259 -28.2635 6.9766 -31.9846 -10.4409 -41.255 8.40823 -42.9409 12.9494 TIMING: 3191800 CPU: 10153.7, 0.0031521/step Wall: 10153.7, 0.0031521/step, 1.58323 hours remaining, 239.253906 MB of memory in use. ENERGY: 3191800 3990.0968 20570.4703 14467.8480 236.6705 -203992.9933 3143.8936 0.0000 0.0000 52012.4994 -109571.5147 298.9165 -161584.0141 -109218.5002 299.0236 334.7074 364.2390 759928.5044 3.4012 3.4670 PRESSURE: 3192000 244.989 -267.571 -56.7321 -267.572 72.6328 -34.2158 -56.7328 -34.2169 -280.668 GPRESSURE: 3192000 159.049 -76.1134 -31.6711 -267.501 222.458 -60.3162 -88.7197 -42.4736 -260.081 PRESSAVG: 3192000 45.62 -11.0959 -37.8719 -11.0958 -43.6381 -25.4606 -37.8719 -25.4606 -10.1236 GPRESSAVG: 3192000 44.8327 -12.738 -38.1594 -8.58772 -43.5802 -28.8454 -39.6152 -26.3032 -9.23634 TIMING: 3192000 CPU: 10154.3, 0.00315256/step Wall: 10154.3, 0.00315256/step, 1.58329 hours remaining, 239.253906 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: 3192000 4066.2465 20498.0637 14455.7406 250.3019 -203076.9799 2428.0825 0.0000 0.0000 51881.6244 -109496.9203 298.1644 -161378.5446 -109130.7762 299.2332 12.3179 40.4751 760598.0842 -2.7139 -2.6613 PRESSURE: 3192200 145.666 -277.595 -167.899 -277.595 243.665 -357.812 -167.899 -357.813 -61.9117 GPRESSURE: 3192200 246.428 -192.794 -189.661 -272.668 159.221 -327.892 -95.3287 -217.323 -20.5575 PRESSAVG: 3192200 46.7524 -55.8274 -55.2835 -55.8275 1.03591 26.2798 -55.2835 26.2798 -16.8824 GPRESSAVG: 3192200 47.4011 -54.9804 -54.2759 -57.2068 0.298325 28.216 -54.265 25.6412 -17.5104 TIMING: 3192200 CPU: 10154.9, 0.00313732/step Wall: 10154.9, 0.00313732/step, 1.57546 hours remaining, 239.253906 MB of memory in use. ENERGY: 3192200 3990.6851 20682.6607 14459.5416 238.5243 -203197.8957 2499.6749 0.0000 0.0000 51938.6725 -109388.1366 298.4923 -161326.8091 -109028.5237 299.0263 109.1398 128.3640 761546.9343 10.3020 10.0630 LDB: ============= START OF LOAD BALANCING ============== 10167.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10167.4 LDB: =============== DONE WITH MIGRATION ================ 10167.4 LDB: ============= START OF LOAD BALANCING ============== 10167.7 LDB: Largest compute 7034 load 0.035907 is 18.4% of average load 0.195376 LDB: Average compute 0.004374 is 2.2% of average load 0.195376 LDB: TIME 10167.7 LOAD: AVG 0.195376 MAX 0.213041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.305 MB LDB: TIME 10167.7 LOAD: AVG 0.195376 MAX 0.213041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.305 MB LDB: TIME 10167.7 LOAD: AVG 0.195376 MAX 0.213041 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.305 MB LDB: ============== END OF LOAD BALANCING =============== 10167.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10167.7 PRESSURE: 3192400 -358.755 -77.7638 -59.8034 -77.763 -130.194 -226.886 -59.8026 -226.885 281.639 GPRESSURE: 3192400 -325.216 -41.0592 -104.361 -160.739 -113.251 -235.153 23.1789 -239.097 321.79 PRESSAVG: 3192400 -13.1222 -75.3368 -29.415 -75.3368 34.8229 -36.0721 -29.415 -36.0722 -22.9429 GPRESSAVG: 3192400 -14.1981 -76.6241 -29.8277 -75.0512 36.421 -37.3673 -28.5539 -35.005 -23.8784 TIMING: 3192400 CPU: 10155.6, 0.00321893/step Wall: 10155.6, 0.00321893/step, 1.61626 hours remaining, 240.296875 MB of memory in use. ENERGY: 3192400 3976.3984 20440.5718 14458.9143 263.4769 -202961.2737 2211.0546 0.0000 0.0000 52069.4212 -109541.4364 299.2437 -161610.8576 -109177.8703 299.5059 -69.1036 -38.8923 761579.6216 -0.4141 -0.5518 PRESSURE: 3192600 -305.609 -135.864 32.9291 -135.865 250.097 -85.1712 32.9291 -85.1715 380.263 GPRESSURE: 3192600 -224.149 -187.935 21.4298 -112.807 282.717 -26.8304 9.82687 -148.183 367.789 PRESSAVG: 3192600 -108.486 -56.5155 -27.7394 -56.5155 60.8292 56.2839 -27.7394 56.284 25.8646 GPRESSAVG: 3192600 -106.228 -54.5488 -29.2176 -57.0876 59.1394 54.2555 -27.3025 59.009 25.5682 TIMING: 3192600 CPU: 10156.2, 0.0031567/step Wall: 10156.2, 0.0031567/step, 1.58484 hours remaining, 240.500000 MB of memory in use. ENERGY: 3192600 4029.1441 20420.9446 14523.3181 265.5208 -203656.9152 2716.6332 0.0000 0.0000 52218.5703 -109482.7841 300.1008 -161701.3544 -109110.6261 299.2301 108.2500 142.1191 761285.2874 -7.2641 -7.1734 PRESSURE: 3192800 109.68 72.2258 34.1365 72.2251 130.774 16.8833 34.1377 16.8827 -51.8295 GPRESSURE: 3192800 89.0966 15.462 58.8828 53.0678 184.799 25.2238 -97.9808 -9.66666 3.07449 PRESSAVG: 3192800 -7.4406 -28.3648 -58.4235 -28.3648 -11.5268 -16.8624 -58.4236 -16.8624 16.7363 GPRESSAVG: 3192800 -9.94439 -28.739 -57.6486 -26.7563 -9.74818 -14.5948 -59.2329 -20.3931 17.0758 TIMING: 3192800 CPU: 10156.9, 0.00315644/step Wall: 10156.9, 0.00315644/step, 1.58453 hours remaining, 240.500000 MB of memory in use. ENERGY: 3192800 3966.7705 20605.7010 14531.7420 247.5308 -203246.6238 2442.4542 0.0000 0.0000 51953.6681 -109498.7571 298.5784 -161452.4252 -109139.3745 298.7112 62.8749 92.3233 761447.2260 -0.7437 -0.8722 PRESSURE: 3193000 -90.4196 311.346 12.8312 311.346 -263.74 -37.4695 12.8309 -37.4691 -201.251 GPRESSURE: 3193000 -125.034 247.09 -98.4675 305.488 -218.114 -73.1902 -41.3812 -121.797 -128.25 PRESSAVG: 3193000 3.51092 -81.9357 -13.0456 -81.9357 20.9896 -30.242 -13.0456 -30.2419 -1.05434 GPRESSAVG: 3193000 3.58031 -82.7193 -13.7886 -84.1288 20.4787 -30.4516 -13.3804 -30.7244 -0.0667775 TIMING: 3193000 CPU: 10157.5, 0.00320262/step Wall: 10157.5, 0.00320262/step, 1.60754 hours remaining, 240.500000 MB of memory in use. ENERGY: 3193000 3961.2595 20393.1462 14522.4228 225.8805 -202899.0185 2135.6626 0.0000 0.0000 52000.1900 -109660.4568 298.8458 -161660.6468 -109286.3859 298.8324 -185.1366 -157.1327 761808.9681 7.8154 7.9974 PRESSURE: 3193200 -57.4564 -148.716 -177.535 -148.716 110.306 60.4841 -177.535 60.4843 190.916 GPRESSURE: 3193200 1.63936 -236.374 -144.138 -100.813 169.594 65.4516 -46.7609 12.4569 143.336 PRESSAVG: 3193200 -21.5462 -95.7954 17.0776 -95.7953 7.37184 -7.08935 17.0776 -7.08931 -12.6021 GPRESSAVG: 3193200 -20.0275 -96.5276 18.1183 -93.8368 7.02446 -7.39651 16.1 -3.46766 -13.6916 TIMING: 3193200 CPU: 10158.1, 0.00315277/step Wall: 10158.1, 0.00315277/step, 1.58234 hours remaining, 240.500000 MB of memory in use. ENERGY: 3193200 3932.8123 20842.9055 14536.0723 233.9304 -203927.7348 2597.2244 0.0000 0.0000 51940.6742 -109844.1157 298.5038 -161784.7899 -109488.6214 298.6591 81.2553 104.8564 759812.6044 -8.9255 -8.8982 PRESSURE: 3193400 29.2265 -122.579 -131.16 -122.579 -72.7843 83.3471 -131.16 83.3476 -86.5412 GPRESSURE: 3193400 88.6526 -159.535 -134.976 -219.181 -18.8259 86.9558 -18.4347 87.729 -104.899 PRESSAVG: 3193400 -43.2801 -16.7412 -11.9464 -16.7413 40.8583 11.173 -11.9464 11.173 8.63112 GPRESSAVG: 3193400 -44.8352 -17.6201 -10.5462 -15.6175 42.1873 12.0006 -10.9205 7.47951 8.69124 TIMING: 3193400 CPU: 10158.8, 0.0031639/step Wall: 10158.8, 0.0031639/step, 1.58775 hours remaining, 240.500000 MB of memory in use. ENERGY: 3193400 4010.7253 20505.4732 14485.7484 239.8538 -203651.7568 2528.9173 0.0000 0.0000 52012.8970 -109868.1419 298.9188 -161881.0389 -109513.3103 298.5393 -43.3663 -11.6907 760350.9186 2.0698 2.0144 PRESSURE: 3193600 -44.9755 -131.412 -27.6575 -131.411 42.3462 -44.4726 -27.657 -44.4745 35.9104 GPRESSURE: 3193600 69.8142 -94.8615 25.7605 -67.2723 5.67823 -68.2681 -130.463 -61.3466 31.67 PRESSAVG: 3193600 -16.3196 -0.780317 27.1675 -0.780381 23.3411 -28.7572 27.1675 -28.7573 -0.383641 GPRESSAVG: 3193600 -14.7281 0.830624 25.9516 -3.22047 22.0752 -30.8687 27.5604 -27.1602 -0.907543 TIMING: 3193600 CPU: 10159.4, 0.00315626/step Wall: 10159.4, 0.00315626/step, 1.58374 hours remaining, 240.500000 MB of memory in use. ENERGY: 3193600 3964.5235 20411.4178 14578.5805 226.0723 -203245.4096 2361.2221 0.0000 0.0000 51910.0296 -109793.5638 298.3277 -161703.5935 -109429.3130 298.4976 11.0937 35.7208 761721.1479 2.2126 2.1465 PRESSURE: 3193800 -272.49 -71.9532 -298.163 -71.9535 -23.2833 40.1918 -298.164 40.191 225.762 GPRESSURE: 3193800 -122.358 -55.6939 -299.139 -52.703 -36.6661 63.1216 -279.443 56.0319 163.722 PRESSAVG: 3193800 -12.0033 -49.3821 -14.4024 -49.382 27.7405 -14.6187 -14.4024 -14.6186 -16.1295 GPRESSAVG: 3193800 -12.5601 -48.6686 -13.8774 -47.8047 28.4061 -12.0344 -16.1665 -16.0214 -15.8255 TIMING: 3193800 CPU: 10160, 0.00316935/step Wall: 10160, 0.00316935/step, 1.59013 hours remaining, 240.500000 MB of memory in use. ENERGY: 3193800 3952.8275 20623.8425 14472.6453 234.1481 -203607.0954 2539.8212 0.0000 0.0000 52176.8942 -109606.9168 299.8613 -161783.8110 -109246.8189 298.7717 -23.3371 1.5661 760902.6351 -0.1308 0.0068 PRESSURE: 3194000 -305.838 -103.396 148.724 -103.396 -420.971 185.913 148.725 185.912 -129.351 GPRESSURE: 3194000 -264.947 -183.097 143.181 -28.2205 -388.137 242.116 176.207 102.545 -105.46 PRESSAVG: 3194000 -44.5219 -70.8282 4.31524 -70.8282 -3.17314 63.9079 4.3153 63.9079 2.33912 GPRESSAVG: 3194000 -44.7783 -73.866 3.85455 -72.1011 -3.59722 63.2 8.02164 65.8222 2.42632 TIMING: 3194000 CPU: 10160.7, 0.00315296/step Wall: 10160.7, 0.00315296/step, 1.58174 hours remaining, 240.500000 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: 3194000 3999.0198 20539.8503 14468.8775 247.1274 -203450.0026 2544.0559 0.0000 0.0000 51821.0117 -109830.0601 297.8161 -161651.0718 -109467.4196 299.2233 -285.3865 -252.8481 762102.5361 -15.1187 -15.3164 PRESSURE: 3194200 -319.26 -234.214 -167.92 -234.214 -190.567 -79.1672 -167.921 -79.1677 -200.8 GPRESSURE: 3194200 -272.571 -136.203 -172.517 -235.491 -199.941 -100.982 -245.752 22.957 -154.603 PRESSAVG: 3194200 -44.8176 -39.7967 39.5062 -39.7966 -7.87707 16.3835 39.5062 16.3835 0.048393 GPRESSAVG: 3194200 -44.0307 -37.0879 38.0917 -39.9093 -6.9749 14.7696 38.2131 15.0886 -1.43681 TIMING: 3194200 CPU: 10161.3, 0.00319732/step Wall: 10161.3, 0.00319732/step, 1.60381 hours remaining, 240.500000 MB of memory in use. ENERGY: 3194200 3929.1035 20380.0669 14464.1431 251.0662 -203036.7829 2249.8050 0.0000 0.0000 51917.8836 -109844.7147 298.3728 -161762.5983 -109477.6477 298.1906 -236.8757 -209.0383 762507.8185 -17.5488 -17.4808 PRESSURE: 3194400 27.9116 -241.804 57.0106 -241.804 -18.353 10.5868 57.0102 10.5868 -75.4491 GPRESSURE: 3194400 51.5547 -200.588 97.9885 -168.831 39.6204 34.9851 61.9526 -102.651 -82.267 PRESSAVG: 3194400 28.3987 -27.0703 -1.56847 -27.0703 1.18082 -52.3839 -1.56845 -52.3838 5.64833 GPRESSAVG: 3194400 28.2691 -27.0662 -1.35563 -26.4796 -0.509977 -50.5735 -2.12155 -52.6749 7.22466 TIMING: 3194400 CPU: 10161.9, 0.00319135/step Wall: 10161.9, 0.00319135/step, 1.60064 hours remaining, 240.500000 MB of memory in use. ENERGY: 3194400 4025.2927 20667.2970 14398.8170 234.7248 -203209.9991 2269.1058 0.0000 0.0000 51743.6839 -109871.0780 297.3717 -161614.7619 -109514.9579 298.1944 -21.9635 2.9694 762209.9015 11.7426 11.6612 PRESSURE: 3194600 -267.812 -86.2399 181.348 -86.2406 -452.635 21.9552 181.348 21.9565 55.1854 GPRESSURE: 3194600 -282.738 -7.45062 235.963 -127.766 -364.43 7.05592 168.562 -22.3368 58.7257 PRESSAVG: 3194600 16.1885 -85.9984 -20.7231 -85.9984 -38.8569 -10.0227 -20.7231 -10.0227 0.349504 GPRESSAVG: 3194600 15.1168 -85.2269 -19.876 -86.3698 -37.7876 -11.8725 -20.3775 -9.84189 0.851668 TIMING: 3194600 CPU: 10162.6, 0.00317984/step Wall: 10162.6, 0.00317984/step, 1.59469 hours remaining, 240.500000 MB of memory in use. ENERGY: 3194600 3917.9728 20502.2690 14447.7388 258.2053 -203027.2119 2245.1538 0.0000 0.0000 51853.3827 -109802.4896 298.0021 -161655.8723 -109441.3871 298.2229 -221.7538 -196.1473 761109.2438 -7.4396 -7.2730 PRESSURE: 3194800 -3.41113 -48.8503 -104.725 -48.8505 -192.938 177.208 -104.724 177.207 -152.011 GPRESSURE: 3194800 60.2587 41.0822 -38.4669 -87.2686 -145.15 181.875 -11.5745 171.799 -159.627 PRESSAVG: 3194800 48.7439 -69.4532 -6.07832 -69.4533 -56.8497 56.3061 -6.07834 56.3062 -15.8752 GPRESSAVG: 3194800 49.4988 -69.1416 -6.32515 -69.9509 -57.5464 56.8658 -5.67357 55.6715 -16.0197 TIMING: 3194800 CPU: 10163.2, 0.00317975/step Wall: 10163.2, 0.00317975/step, 1.59447 hours remaining, 240.500000 MB of memory in use. ENERGY: 3194800 3994.2919 20507.5674 14483.3517 224.7298 -203408.1410 2365.3314 0.0000 0.0000 51787.3193 -110045.5495 297.6224 -161832.8688 -109679.1499 298.5322 -116.1200 -81.5064 761782.9686 -7.9937 -8.0224 PRESSURE: 3195000 -133.712 151.419 12.974 151.419 -339.437 -204.741 12.9731 -204.74 -356.358 GPRESSURE: 3195000 -123.055 121.731 37.9411 156.192 -279.667 -143.175 -35.0652 -112.061 -352.635 PRESSAVG: 3195000 23.0433 -14.9715 63.4656 -14.9715 38.6029 35.4385 63.4656 35.4385 -11.3136 GPRESSAVG: 3195000 23.4511 -16.9078 63.5357 -14.5639 38.6616 35.4834 62.2448 34.5336 -12.0708 TIMING: 3195000 CPU: 10163.8, 0.00314881/step Wall: 10163.8, 0.00314881/step, 1.57878 hours remaining, 240.500000 MB of memory in use. ENERGY: 3195000 4017.8251 20601.7050 14436.4387 250.8112 -203720.3269 2396.0229 0.0000 0.0000 51900.8271 -110116.6967 298.2748 -162017.5238 -109756.7829 298.3472 -276.5026 -251.7856 760112.8022 16.7775 16.6807 PRESSURE: 3195200 -295.842 -70.2638 5.71833 -70.2632 198.73 -5.17594 5.71847 -5.17611 -16.2462 GPRESSURE: 3195200 -257.108 -25.6388 31.5271 -31.5682 183.77 -20.1702 97.1123 17.5559 29.2793 PRESSAVG: 3195200 39.239 -17.0588 3.26245 -17.0587 -35.5721 -38.5821 3.26244 -38.5821 -9.5919 GPRESSAVG: 3195200 37.6519 -16.6896 2.15778 -17.8738 -34.8543 -38.9445 5.32043 -37.4622 -8.61042 TIMING: 3195200 CPU: 10164.5, 0.00316661/step Wall: 10164.5, 0.00316661/step, 1.58753 hours remaining, 240.500000 MB of memory in use. ENERGY: 3195200 3939.2404 20724.9852 14439.3861 250.7807 -203244.8527 2315.3308 0.0000 0.0000 51790.8523 -109784.2772 297.6427 -161575.1295 -109423.3097 298.6127 -37.7862 -14.6864 760733.0750 -1.9750 -1.9376 PRESSURE: 3195400 -5.65179 23.9094 -61.323 23.9102 -154.361 -82.4861 -61.3238 -82.4855 128.121 GPRESSURE: 3195400 9.44309 -27.4463 -35.6952 124.704 -79.0383 -22.3418 -25.1411 38.0433 129.729 PRESSAVG: 3195400 47.9602 -37.213 -28.4955 -37.213 -52.8862 -52.1688 -28.4956 -52.1688 1.28379 GPRESSAVG: 3195400 47.6726 -35.8861 -27.8524 -36.9629 -52.7444 -49.9542 -30.3483 -53.1912 1.96012 TIMING: 3195400 CPU: 10165.1, 0.00317067/step Wall: 10165.1, 0.00317067/step, 1.58939 hours remaining, 240.500000 MB of memory in use. ENERGY: 3195400 4056.8284 20343.8320 14557.8536 268.8827 -203826.8992 2545.1062 0.0000 0.0000 52179.0263 -109875.3699 299.8736 -162054.3962 -109510.7261 298.8797 -10.6303 20.0445 760505.9553 -1.2141 -1.0372 PRESSURE: 3195600 -207.927 -47.3217 -148.704 -47.3207 147.867 -181.762 -148.703 -181.762 304.094 GPRESSURE: 3195600 -151.575 -75.9176 -140.626 -63.034 176.713 -292.503 -120.104 -108.577 343.575 PRESSAVG: 3195600 45.9761 -29.8519 -34.3634 -29.8519 -54.6355 -51.2319 -34.3634 -51.232 22.024 GPRESSAVG: 3195600 46.5555 -31.4806 -33.9601 -28.7679 -54.5348 -56.5014 -32.6262 -48.7734 21.8092 TIMING: 3195600 CPU: 10165.7, 0.0031865/step Wall: 10165.7, 0.0031865/step, 1.59715 hours remaining, 240.500000 MB of memory in use. ENERGY: 3195600 3997.5510 20353.2841 14436.4289 264.4515 -203508.6210 2686.2036 0.0000 0.0000 51911.9747 -109858.7272 298.3388 -161770.7020 -109491.2623 298.3924 81.3448 122.9047 759589.9874 4.4549 4.6100 PRESSURE: 3195800 -81.7479 -218.939 74.3576 -218.938 -173.821 -132.852 74.3573 -132.852 139.711 GPRESSURE: 3195800 -90.3653 -95.5661 56.8903 -93.2492 -74.4854 -134.405 67.0811 -106.332 121.242 PRESSAVG: 3195800 -39.7916 -62.8437 4.16169 -62.8437 40.8162 -24.3624 4.16167 -24.3623 -13.2564 GPRESSAVG: 3195800 -38.6749 -60.6821 5.29979 -64.1182 39.4633 -22.1549 3.94805 -24.1588 -13.3956 TIMING: 3195800 CPU: 10166.4, 0.00315844/step Wall: 10166.4, 0.00315844/step, 1.58291 hours remaining, 240.500000 MB of memory in use. ENERGY: 3195800 3958.1177 20538.7019 14458.9148 223.8407 -203760.3172 2606.8212 0.0000 0.0000 52120.6134 -109853.3074 299.5379 -161973.9208 -109491.4420 298.6817 -38.6194 -14.5363 758965.9674 -4.0773 -4.2024 PRESSURE: 3196000 146.484 -107.841 -14.639 -107.842 95.5749 -121.32 -14.6389 -121.319 34.2512 GPRESSURE: 3196000 212.986 -230.798 -1.25378 -141.248 120.619 -85.5028 -109.254 -144.433 9.96107 PRESSAVG: 3196000 -62.911 -52.0472 3.36648 -52.0472 56.3174 -1.89959 3.36649 -1.89957 -2.4678 GPRESSAVG: 3196000 -63.0061 -52.2175 2.22534 -52.593 56.8295 -0.660986 1.34013 -1.16998 -2.86307 TIMING: 3196000 CPU: 10167, 0.00316862/step Wall: 10167, 0.00316862/step, 1.58783 hours remaining, 240.500000 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: 3196000 3993.1807 20523.8565 14493.3255 249.7672 -203824.3361 2728.8263 0.0000 0.0000 52075.6434 -109759.7365 299.2794 -161835.3800 -109392.3267 299.3734 92.1034 114.5218 759782.8464 -3.0205 -3.0132 PRESSURE: 3196200 108.417 -195.033 26.9154 -195.033 38.7566 53.3811 26.915 53.3821 -298.825 GPRESSURE: 3196200 43.751 -168.585 -12.7622 -217.32 83.1381 135.483 38.3635 -20.3969 -175.897 PRESSAVG: 3196200 38.595 -47.8469 38.6225 -47.8469 -41.7554 -6.88435 38.6226 -6.88441 20.3883 GPRESSAVG: 3196200 37.8434 -47.8469 41.214 -47.0595 -41.3669 -8.29783 39.479 -7.42829 21.2281 TIMING: 3196200 CPU: 10167.6, 0.00316817/step Wall: 10167.6, 0.00316817/step, 1.58743 hours remaining, 240.500000 MB of memory in use. ENERGY: 3196200 3960.3296 20597.9553 14631.4129 231.8375 -203545.3773 2666.1140 0.0000 0.0000 52130.2171 -109327.5110 299.5931 -161457.7281 -108962.3790 299.5982 -50.5504 -16.3360 759188.9909 5.7426 5.9015 LDB: ============= START OF LOAD BALANCING ============== 10180.1 LDB: ============== END OF LOAD BALANCING =============== 10180.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10180.1 LDB: ============= START OF LOAD BALANCING ============== 10180.4 LDB: Largest compute 7037 load 0.036970 is 18.9% of average load 0.195401 LDB: Average compute 0.004377 is 2.2% of average load 0.195401 LDB: TIME 10180.4 LOAD: AVG 0.195401 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.25 MB LDB: TIME 10180.4 LOAD: AVG 0.195401 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.25 MB LDB: TIME 10180.4 LOAD: AVG 0.195401 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.25 MB LDB: ============== END OF LOAD BALANCING =============== 10180.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10180.4 PRESSURE: 3196400 -439.388 -126.261 129.619 -126.261 -108.586 -110.025 129.618 -110.025 -135.002 GPRESSURE: 3196400 -360.155 -145.16 146.406 -37.1634 -125.063 -91.1848 48.6069 -162.521 -92.6548 PRESSAVG: 3196400 18.3556 -53.9105 -36.6103 -53.9105 29.3129 -4.62331 -36.6103 -4.62333 -2.78413 GPRESSAVG: 3196400 17.5825 -54.1261 -39.3203 -54.03 30.3143 -4.19289 -36.8295 -4.57338 -3.11394 TIMING: 3196400 CPU: 10168.3, 0.00322516/step Wall: 10168.3, 0.00322516/step, 1.61581 hours remaining, 239.527344 MB of memory in use. ENERGY: 3196400 3996.0624 20634.5786 14548.2278 235.1230 -203148.6332 2407.2006 0.0000 0.0000 52141.5893 -109185.8515 299.6584 -161327.4407 -108821.0808 299.8062 -227.6587 -192.6240 761579.9337 14.9615 14.9276 PRESSURE: 3196600 -85.4724 83.5393 185.093 83.5388 236.921 92.9719 185.092 92.9715 -34.2529 GPRESSURE: 3196600 14.1743 59.692 208.899 65.0506 135.589 20.5859 272.292 3.04932 48.9316 PRESSAVG: 3196600 -14.2589 17.7127 -14.9371 17.7127 -3.53056 9.33504 -14.9372 9.33501 -4.57162 GPRESSAVG: 3196600 -12.1418 16.9498 -14.3339 18.298 -4.77266 11.9977 -15.9658 8.27749 -5.06395 TIMING: 3196600 CPU: 10168.9, 0.00317483/step Wall: 10168.9, 0.00317483/step, 1.59041 hours remaining, 239.527344 MB of memory in use. ENERGY: 3196600 3917.0365 20401.2225 14480.7799 260.8548 -203602.9942 2903.5088 0.0000 0.0000 52231.2585 -109408.3332 300.1738 -161639.5917 -109044.3296 299.8891 39.0652 66.2316 761199.1484 -7.4537 -7.3261 PRESSURE: 3196800 0.0961577 69.2732 -283.289 69.274 -83.1427 -77.7547 -283.288 -77.7544 49.3892 GPRESSURE: 3196800 4.05449 24.1363 -257.366 58.224 -45.3502 -35.2132 -135.915 -78.5513 82.7288 PRESSAVG: 3196800 8.70481 29.6433 -9.52181 29.6434 3.56435 23.3716 -9.52178 23.3716 1.91462 GPRESSAVG: 3196800 8.17443 29.2647 -8.98847 30.6536 3.6576 21.1834 -6.16402 23.1022 1.6365 TIMING: 3196800 CPU: 10169.5, 0.00315579/step Wall: 10169.5, 0.00315579/step, 1.5807 hours remaining, 239.527344 MB of memory in use. ENERGY: 3196800 3970.4823 20497.0136 14555.9795 248.0225 -203026.8894 2334.6154 0.0000 0.0000 52149.4415 -109271.3346 299.7036 -161420.7760 -108913.8151 299.3532 -11.2191 13.8110 761670.5532 4.7279 4.4895 PRESSURE: 3197000 282.91 -74.606 -139.304 -74.6059 -147.456 -109.483 -139.305 -109.483 -101.951 GPRESSURE: 3197000 250.325 -102.177 -197.326 -164.04 -57.6469 -182.166 -162.679 -98.0655 -65.4002 PRESSAVG: 3197000 23.5035 -9.79095 -19.0453 -9.79085 2.07424 12.7745 -19.0453 12.7745 3.81541 GPRESSAVG: 3197000 24.3856 -10.2175 -19.6655 -12.3983 1.43368 13.3631 -21.4792 13.2363 3.57433 TIMING: 3197000 CPU: 10170.2, 0.00316549/step Wall: 10170.2, 0.00316549/step, 1.58538 hours remaining, 239.527344 MB of memory in use. ENERGY: 3197000 3980.2113 20477.7401 14425.8509 227.8434 -202871.7581 2383.5289 0.0000 0.0000 52022.3649 -109354.2186 298.9732 -161376.5835 -108993.4455 299.1697 11.1677 42.4259 760233.5959 9.7977 9.7979 PRESSURE: 3197200 48.9484 113.756 -54.6145 113.755 -45.4854 257.297 -54.6146 257.297 657.742 GPRESSURE: 3197200 18.035 117.593 106.962 110.359 -6.24018 211.427 -160.744 351.008 723.824 PRESSAVG: 3197200 5.68901 3.70557 3.8492 3.70555 -4.72447 -7.12569 3.84928 -7.1257 12.1175 GPRESSAVG: 3197200 3.52478 2.6005 5.68336 5.12726 -2.05073 -7.4955 3.24362 -7.51122 11.9933 TIMING: 3197200 CPU: 10170.8, 0.00314795/step Wall: 10170.8, 0.00314795/step, 1.57642 hours remaining, 239.527344 MB of memory in use. ENERGY: 3197200 3947.2007 20469.1308 14473.8643 221.9421 -203052.6712 2307.8204 0.0000 0.0000 52131.0428 -109501.6701 299.5978 -161632.7128 -109139.2865 299.5376 220.4018 245.2063 760280.6705 4.3607 4.4891 PRESSURE: 3197400 6.32018 -4.57006 -63.8491 -4.56945 -132.762 17.284 -63.849 17.2825 42.4121 GPRESSURE: 3197400 37.7943 -65.2657 -22.8951 -47.5086 -148.795 38.2875 -29.8482 71.0144 122.919 PRESSAVG: 3197400 50.8965 40.6244 -7.98425 40.6244 8.29548 33.8628 -7.98428 33.8627 11.6901 GPRESSAVG: 3197400 50.7789 43.4115 -7.17706 40.3215 8.30223 35.4697 -7.10256 34.0691 11.8704 TIMING: 3197400 CPU: 10171.4, 0.00314585/step Wall: 10171.4, 0.00314585/step, 1.5752 hours remaining, 239.527344 MB of memory in use. ENERGY: 3197400 3953.9802 20533.2117 14464.3533 261.2377 -203357.9562 2588.5971 0.0000 0.0000 52102.6146 -109453.9616 299.4344 -161556.5762 -109087.0818 299.3140 -28.0098 3.9726 761260.0275 23.6274 23.6505 PRESSURE: 3197600 4.96635 -33.8503 -72.1363 -33.8501 -123.501 -68.9701 -72.136 -68.9697 -113.692 GPRESSURE: 3197600 -70.4209 -99.318 -126.769 94.3769 -3.96396 -47.2463 29.6277 -73.5911 -65.4484 PRESSAVG: 3197600 17.9988 -15.4104 -1.33407 -15.4104 10.135 -10.8705 -1.33402 -10.8704 -8.92424 GPRESSAVG: 3197600 17.8509 -17.5289 -1.3947 -14.6891 8.43831 -12.2654 -2.31235 -10.2335 -7.48049 TIMING: 3197600 CPU: 10172.1, 0.00316506/step Wall: 10172.1, 0.00316506/step, 1.58464 hours remaining, 239.527344 MB of memory in use. ENERGY: 3197600 4083.3002 20459.9392 14502.4829 252.1682 -203269.2028 2485.8371 0.0000 0.0000 52267.7739 -109217.7013 300.3836 -161485.4752 -108851.2289 299.4921 -77.4090 -46.6111 759559.1469 6.4032 6.2696 PRESSURE: 3197800 93.5131 -68.3051 -10.8662 -68.3057 -87.9395 20.6024 -10.8665 20.6013 -502.797 GPRESSURE: 3197800 122.87 5.01446 -28.6452 -64.6681 -148.2 18.7824 27.8037 75.967 -402.696 PRESSAVG: 3197800 -24.0641 15.3614 -45.5866 15.3615 4.2628 -16.618 -45.5867 -16.618 26.5082 GPRESSAVG: 3197800 -22.338 16.1272 -47.4288 14.7333 4.17019 -17.4339 -44.0038 -15.0529 25.2151 TIMING: 3197800 CPU: 10172.7, 0.00317196/step Wall: 10172.7, 0.00317196/step, 1.58792 hours remaining, 239.527344 MB of memory in use. ENERGY: 3197800 4005.1074 20557.7952 14480.3683 234.3659 -202926.4595 2287.2698 0.0000 0.0000 52070.1095 -109291.4434 299.2476 -161361.5529 -108929.5923 299.8064 -165.7411 -142.6752 762493.3022 2.2356 2.3491 PRESSURE: 3198000 -9.35472 -165.567 216.315 -165.567 114.726 11.3159 216.314 11.3159 575.729 GPRESSURE: 3198000 50.3189 -39.1979 210.035 -128.735 100.346 -37.4932 237.709 13.347 620.29 PRESSAVG: 3198000 28.9586 -4.40116 -34.1209 -4.40116 -22.3203 -30.3538 -34.1209 -30.3539 -4.55946 GPRESSAVG: 3198000 27.8543 -5.106 -35.2568 -3.70821 -22.0109 -29.8065 -33.2733 -33.0485 -4.14151 TIMING: 3198000 CPU: 10173.3, 0.00316044/step Wall: 10173.3, 0.00316044/step, 1.58198 hours remaining, 239.527344 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: 3198000 4022.4650 20338.2581 14494.4669 236.2426 -202936.0076 2671.1647 0.0000 0.0000 51944.5728 -109228.8376 298.5262 -161173.4104 -108870.5944 299.2943 227.0332 256.9851 760604.8526 0.6930 0.5673 PRESSURE: 3198200 -341.914 -83.0722 42.368 -83.0715 -266.65 -5.50412 42.369 -5.50354 -145.321 GPRESSURE: 3198200 -284.102 -67.3201 66.5981 -31.7329 -202.661 -37.2738 6.13459 34.1178 -142.984 PRESSAVG: 3198200 6.89156 -27.0359 -26.7288 -27.0359 -37.475 -34.5849 -26.7288 -34.585 -1.02482 GPRESSAVG: 3198200 7.59478 -24.2469 -25.6802 -30.4026 -37.0673 -34.1916 -27.4838 -33.6351 -2.17491 TIMING: 3198200 CPU: 10174, 0.00314541/step Wall: 10174, 0.00314541/step, 1.57428 hours remaining, 239.527344 MB of memory in use. ENERGY: 3198200 3955.8073 20396.0906 14473.3734 237.5097 -203030.8587 2492.8890 0.0000 0.0000 52278.8844 -109196.3043 300.4475 -161475.1887 -108826.3597 299.9153 -251.2952 -209.9158 761787.1482 -10.5361 -10.5491 PRESSURE: 3198400 302.057 -214.377 -175.413 -214.378 -151.03 2.82615 -175.412 2.82529 26.2756 GPRESSURE: 3198400 280.416 -105.852 -101.439 -168.922 -108.002 -30.4416 46.5943 106.132 66.4398 PRESSAVG: 3198400 -26.5989 9.65715 0.803636 9.65715 -5.23143 25.4376 0.803683 25.4376 3.63668 GPRESSAVG: 3198400 -27.5718 8.97919 1.1067 10.3314 -5.72725 25.4578 1.27715 26.8272 5.09038 TIMING: 3198400 CPU: 10174.6, 0.00314209/step Wall: 10174.6, 0.00314209/step, 1.57244 hours remaining, 239.527344 MB of memory in use. ENERGY: 3198400 3996.8839 20556.1568 14457.4542 225.1290 -203156.0064 2338.0658 0.0000 0.0000 52002.1543 -109580.1625 298.8571 -161582.3167 -109225.1890 299.5421 59.1007 79.6178 760493.8090 -9.3979 -9.4029 PRESSURE: 3198600 -180.746 96.9558 -108.795 96.9551 -280.168 -82.4738 -108.795 -82.4733 -115.305 GPRESSURE: 3198600 -108.197 38.1967 -127.616 78.3749 -231.999 -0.513639 -119.556 -33.2408 -128.486 PRESSAVG: 3198600 -25.5455 -40.07 -13.81 -40.0699 2.96664 -1.70501 -13.8101 -1.705 17.7104 GPRESSAVG: 3198600 -25.8673 -40.7165 -14.199 -39.4197 4.51124 -1.11824 -11.3733 -3.89708 16.289 TIMING: 3198600 CPU: 10175.2, 0.00314203/step Wall: 10175.2, 0.00314203/step, 1.57224 hours remaining, 239.527344 MB of memory in use. ENERGY: 3198600 4022.1685 20615.3655 14467.3148 230.4909 -203229.1208 2389.1883 0.0000 0.0000 52070.6306 -109433.9621 299.2506 -161504.5927 -109079.3421 299.0630 -192.0729 -156.2274 760070.3915 -1.6228 -1.6890 PRESSURE: 3198800 -58.3641 144.843 76.3401 144.842 -119.042 -12.6691 76.3402 -12.6678 169.431 GPRESSURE: 3198800 -52.5629 118.318 47.9328 8.28121 -97.7703 -101.611 106.679 60.0752 227.169 PRESSAVG: 3198800 -19.139 -20.4546 -22.8196 -20.4546 11.4664 0.973782 -22.8196 0.973814 -11.1985 GPRESSAVG: 3198800 -19.554 -21.2843 -21.5756 -21.9254 11.3106 1.316 -26.6774 0.522505 -10.8243 TIMING: 3198800 CPU: 10175.9, 0.00316387/step Wall: 10175.9, 0.00316387/step, 1.58299 hours remaining, 239.527344 MB of memory in use. ENERGY: 3198800 4017.3263 20520.2510 14452.6800 240.3228 -202875.3534 2240.1891 0.0000 0.0000 51918.8163 -109485.7681 298.3782 -161404.5844 -109123.4598 299.4695 -2.6581 25.6119 760507.6261 -6.2903 -6.3559 PRESSURE: 3199000 1.16284 56.9946 -20.6116 56.9946 260.836 39.0404 -20.6112 39.0405 506.714 GPRESSURE: 3199000 67.0161 111.794 -54.4533 100.794 317.018 131.654 -24.359 118.279 458.611 PRESSAVG: 3199000 -54.7147 1.59404 24.6319 1.594 87.3856 -23.38 24.6319 -23.3801 4.48619 GPRESSAVG: 3199000 -53.9947 0.836733 25.7731 0.7101 86.1376 -25.6503 24.4525 -21.3048 4.913 TIMING: 3199000 CPU: 10176.5, 0.00314726/step Wall: 10176.5, 0.00314726/step, 1.57451 hours remaining, 239.527344 MB of memory in use. ENERGY: 3199000 4016.4782 20468.0135 14487.1648 238.0137 -203141.5797 2524.8825 0.0000 0.0000 51918.4213 -109488.6056 298.3759 -161407.0269 -109138.5510 299.2112 256.2377 280.8815 758569.1137 12.3857 12.3520 PRESSURE: 3199200 194.15 -187.942 -52.4889 -187.942 116.472 -137.053 -52.488 -137.051 41.1052 GPRESSURE: 3199200 172.32 -125.871 -57.7129 -147.574 146.278 -96.6405 -134.979 -97.1154 128.349 PRESSAVG: 3199200 -27.8673 1.96302 -13.8072 1.96308 28.7852 2.28516 -13.8072 2.28514 4.33732 GPRESSAVG: 3199200 -28.5496 0.525955 -15.768 8.02403 29.1854 3.12199 -12.8123 2.41134 4.70642 TIMING: 3199200 CPU: 10177.1, 0.00316249/step Wall: 10177.1, 0.00316249/step, 1.58195 hours remaining, 239.527344 MB of memory in use. ENERGY: 3199200 4030.2804 20653.4663 14471.0473 255.9415 -203298.3690 2493.5268 0.0000 0.0000 52008.9648 -109385.1419 298.8962 -161394.1067 -109023.1724 299.5613 117.2424 148.9824 759482.4027 1.7517 1.7807 PRESSURE: 3199400 75.3558 34.9638 -169.475 34.9639 -154.305 -33.4836 -169.475 -33.4843 -290.862 GPRESSURE: 3199400 100.037 65.0372 -124.215 -115.749 -90.076 13.0635 -148.938 19.5966 -270.504 PRESSAVG: 3199400 24.1122 6.53611 -15.4543 6.53606 -37.9549 -31.8954 -15.4544 -31.8953 -0.822814 GPRESSAVG: 3199400 25.0356 8.27603 -16.8101 2.67832 -37.3451 -33.3359 -15.8634 -30.7045 -1.81116 TIMING: 3199400 CPU: 10177.8, 0.00316673/step Wall: 10177.8, 0.00316673/step, 1.58389 hours remaining, 239.527344 MB of memory in use. ENERGY: 3199400 4011.7000 20305.4508 14485.7104 236.5625 -202861.5888 2070.2248 0.0000 0.0000 52053.8568 -109698.0834 299.1542 -161751.9403 -109330.5536 299.4723 -123.2704 -86.8476 759915.8422 -4.8885 -4.7069 PRESSURE: 3199600 -187.825 134.537 15.6418 134.537 -189.224 173.934 15.6421 173.934 -326.532 GPRESSURE: 3199600 -180.526 129.637 -49.8163 150.427 -67.1434 169.742 233.848 84.1465 -362.667 PRESSAVG: 3199600 41.8396 -40.2389 -22.9388 -40.2389 -31.3738 19.0586 -22.9388 19.0585 -6.83521 GPRESSAVG: 3199600 40.5023 -38.5935 -22.147 -41.4089 -31.1406 19.7012 -22.3013 17.9492 -6.47675 TIMING: 3199600 CPU: 10178.4, 0.00315173/step Wall: 10178.4, 0.00315173/step, 1.57621 hours remaining, 239.527344 MB of memory in use. ENERGY: 3199600 3998.3686 20401.9626 14463.1803 242.8422 -203241.8282 2413.0010 0.0000 0.0000 52061.9757 -109660.4977 299.2009 -161722.4734 -109301.7727 298.5529 -234.5269 -203.4457 761461.7462 1.2102 0.9617 PRESSURE: 3199800 4.5647 118.702 106.5 118.702 -201.256 -127.289 106.499 -127.29 -256.341 GPRESSURE: 3199800 24.0482 91.5623 89.192 106.069 -124.138 -129.814 146.146 -172.768 -251.732 PRESSAVG: 3199800 23.4885 35.0466 9.73073 35.0465 19.28 -25.6571 9.73064 -25.6571 15.3366 GPRESSAVG: 3199800 24.2414 33.9006 10.0546 35.372 19.0592 -26.6617 13.1117 -27.2526 14.6002 TIMING: 3199800 CPU: 10179, 0.00316332/step Wall: 10179, 0.00316332/step, 1.58183 hours remaining, 239.527344 MB of memory in use. ENERGY: 3199800 3953.7305 20475.5186 14471.7051 229.6357 -203184.8345 2295.5059 0.0000 0.0000 52113.4910 -109645.2476 299.4969 -161758.7387 -109281.7018 299.1096 -151.0107 -117.2738 760579.0790 19.3684 19.3002 PRESSURE: 3200000 -4.38396 75.7262 53.0307 75.7262 -232.968 17.7814 53.0303 17.7819 -169.828 GPRESSURE: 3200000 125.113 89.821 7.84701 141.978 -269.606 -50.5891 -23.7017 1.89997 -176.151 PRESSAVG: 3200000 48.3397 -82.5272 -21.7063 -82.5272 -41.3756 39.7592 -21.7064 39.7592 9.56672 GPRESSAVG: 3200000 48.6061 -81.8284 -21.2116 -79.5342 -41.8336 39.9709 -25.6044 41.0522 9.42724 TIMING: 3200000 CPU: 10179.7, 0.00320926/step Wall: 10179.7, 0.00320926/step, 1.60463 hours remaining, 239.527344 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: 3200000 3941.3096 20482.7247 14526.1733 254.7215 -203018.0882 2094.9774 0.0000 0.0000 52011.5546 -109706.6270 298.9111 -161718.1815 -109343.8807 298.9813 -135.7268 -106.8813 762391.7789 5.5103 5.3999 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200200 122.637 -157.467 -192.923 -157.468 -94.8774 122.529 -192.923 122.53 183.824 GPRESSURE: 3200200 90.8968 -61.7706 -215.988 -209.318 7.78009 151.3 -156.012 -35.7413 206.692 PRESSAVG: 3200200 -7.35094 -4.42035 -59.2495 -4.42035 -2.63006 -8.13258 -59.2495 -8.13266 -7.92895 GPRESSAVG: 3200200 -8.34443 -4.44582 -58.0275 -5.64245 -1.66302 -7.24368 -59.6875 -8.68937 -7.9721 TIMING: 3200200 CPU: 10180.3, 0.00326072/step Wall: 10180.3, 0.00326072/step, 1.63018 hours remaining, 239.527344 MB of memory in use. ENERGY: 3200200 3988.8699 20498.8959 14425.3711 235.0666 -203331.5275 2455.8708 0.0000 0.0000 52186.8364 -109540.6168 299.9185 -161727.4532 -109185.5521 299.0921 70.5278 101.7895 762364.1798 -5.9700 -5.9932 LDB: ============= START OF LOAD BALANCING ============== 10192.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10192.8 LDB: =============== DONE WITH MIGRATION ================ 10192.8 LDB: ============= START OF LOAD BALANCING ============== 10193.1 LDB: Largest compute 7037 load 0.036146 is 18.5% of average load 0.195322 LDB: Average compute 0.004416 is 2.3% of average load 0.195322 LDB: TIME 10193.1 LOAD: AVG 0.195322 MAX 0.215206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10193.1 LOAD: AVG 0.195322 MAX 0.215206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: TIME 10193.1 LOAD: AVG 0.195322 MAX 0.215206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.758 MB LDB: ============== END OF LOAD BALANCING =============== 10193.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10193.1 PRESSURE: 3200400 36.3281 73.8773 -12.0591 73.8777 168.908 24.6979 -12.0599 24.6991 442.361 GPRESSURE: 3200400 75.8259 200.735 35.8758 -79.1199 303.106 86.1623 -92.0973 33.2839 357.283 PRESSAVG: 3200400 -28.9554 -45.9791 -24.49 -45.9791 52.0159 -15.5312 -24.49 -15.5312 4.57227 GPRESSAVG: 3200400 -29.4998 -46.2462 -25.3135 -46.5021 51.8946 -16.3486 -23.0183 -13.1909 5.28426 TIMING: 3200400 CPU: 10181, 0.00322145/step Wall: 10181, 0.00322145/step, 1.61037 hours remaining, 241.578125 MB of memory in use. ENERGY: 3200400 3964.0897 20440.5866 14503.5422 259.4297 -203595.7424 2595.4240 0.0000 0.0000 52117.1389 -109715.5313 299.5179 -161832.6702 -109352.7671 299.0160 215.8659 245.4048 759830.6797 9.2109 9.2263 PRESSURE: 3200600 313.58 -238.839 -173.728 -238.839 65.0298 173.836 -173.729 173.836 151.273 GPRESSURE: 3200600 358.467 -300.478 -186.688 -277.194 33.8846 91.1004 -170.042 153.982 211.79 PRESSAVG: 3200600 -40.9435 -32.4216 34.5065 -32.4216 27.7973 17.4255 34.5065 17.4254 0.636892 GPRESSAVG: 3200600 -41.3401 -35.3973 32.1749 -32.3216 27.5356 17.8155 35.0807 15.3286 1.88802 TIMING: 3200600 CPU: 10181.6, 0.00315058/step Wall: 10181.6, 0.00315058/step, 1.57477 hours remaining, 241.578125 MB of memory in use. ENERGY: 3200600 3976.2181 20370.4734 14552.0106 248.0654 -203206.2981 2387.7266 0.0000 0.0000 51917.1754 -109754.6286 298.3687 -161671.8040 -109389.2783 298.3885 176.6277 201.3806 760497.2022 -4.1698 -3.9722 PRESSURE: 3200800 297.36 31.324 13.8896 31.3242 132.584 -413.105 13.8907 -413.106 255.876 GPRESSURE: 3200800 322.397 -78.7886 -7.94576 -42.4495 182.451 -430.689 31.0399 -252.205 262.657 PRESSAVG: 3200800 2.37626 -31.2964 9.92718 -31.2964 -1.34685 -41.3124 9.92714 -41.3124 29.7819 GPRESSAVG: 3200800 3.14302 -28.1018 12.6023 -32.4352 -0.917198 -42.166 8.95739 -39.8468 28.389 TIMING: 3200800 CPU: 10182.2, 0.00314815/step Wall: 10182.2, 0.00314815/step, 1.57338 hours remaining, 241.578125 MB of memory in use. ENERGY: 3200800 3880.1931 20536.5976 14489.5705 253.0730 -203666.2825 2691.6530 0.0000 0.0000 52257.9806 -109557.2148 300.3273 -161815.1954 -109194.0364 298.6386 228.6067 255.8353 760751.1651 10.2704 10.2049 PRESSURE: 3201000 -295.69 -422.401 75.1656 -422.401 198.171 -14.3263 75.1653 -14.3262 -19.7972 GPRESSURE: 3201000 -111.97 -499.944 20.1342 -416.794 173.319 71.5183 125.119 -103.632 -67.8044 PRESSAVG: 3201000 -4.56968 -63.0678 23.5367 -63.0677 3.08142 12.2339 23.5368 12.2339 -29.3016 GPRESSAVG: 3201000 -4.32759 -64.1823 23.2586 -59.9732 1.74587 12.3732 22.8099 12.3062 -28.2077 TIMING: 3201000 CPU: 10182.8, 0.00315597/step Wall: 10182.8, 0.00315597/step, 1.57711 hours remaining, 241.578125 MB of memory in use. ENERGY: 3201000 3924.6576 20422.1465 14496.9277 241.4822 -203276.1331 2435.9584 0.0000 0.0000 52418.5441 -109336.4166 301.2501 -161754.9607 -108975.9749 299.3119 -39.1055 -2.1516 760773.5630 -10.2633 -10.2631 PRESSURE: 3201200 1.55459 210.525 -1.40431 210.525 -143.301 -301.708 -1.40454 -301.709 245.427 GPRESSURE: 3201200 60.3747 260.119 -29.6736 128.486 -68.9561 -225.382 -103.347 -211.776 226.462 PRESSAVG: 3201200 -19.1137 -5.36515 37.9063 -5.36511 13.066 14.8117 37.9063 14.8117 -4.54999 GPRESSAVG: 3201200 -18.4709 -4.3229 37.5336 -6.82763 13.3771 15.9759 39.2502 13.3534 -5.90842 TIMING: 3201200 CPU: 10183.5, 0.00317291/step Wall: 10183.5, 0.00317291/step, 1.58539 hours remaining, 241.578125 MB of memory in use. ENERGY: 3201200 3988.0834 20496.1800 14449.3005 252.1910 -203051.2285 2449.9740 0.0000 0.0000 52269.7544 -109145.7451 300.3950 -161415.4995 -108785.0292 299.8776 34.5600 72.6269 760030.7839 -3.5326 -3.6674 PRESSURE: 3201400 -163.431 -184.651 226.936 -184.65 -267.063 -85.9365 226.935 -85.9366 88.7433 GPRESSURE: 3201400 -200.511 -101.483 193.17 -110.064 -149.246 -51.1338 118.497 -67.3301 92.9081 PRESSAVG: 3201400 -35.6258 -6.6389 8.9055 -6.63889 32.0942 31.9991 8.90551 31.9992 8.83168 GPRESSAVG: 3201400 -36.8204 -7.20683 6.99066 -6.23036 32.756 32.3454 7.84364 31.805 9.70609 TIMING: 3201400 CPU: 10184.1, 0.00316386/step Wall: 10184.1, 0.00316386/step, 1.5807 hours remaining, 241.578125 MB of memory in use. ENERGY: 3201400 3972.2363 20496.9576 14471.4148 253.0735 -202983.8910 2289.7221 0.0000 0.0000 52410.9579 -109089.5287 301.2065 -161500.4866 -108711.2329 300.2367 -113.9168 -85.6162 761904.5948 1.7667 1.8806 PRESSURE: 3201600 -149.474 -20.605 209.57 -20.6053 -311.827 69.0574 209.57 69.0561 -221.152 GPRESSURE: 3201600 -133.422 50.968 157.437 -103.487 -309.767 83.8595 301.763 44.3759 -161.057 PRESSAVG: 3201600 -25.4585 13.1669 -20.6086 13.1669 48.7514 -14.4807 -20.6086 -14.4807 -19.785 GPRESSAVG: 3201600 -25.2381 13.9923 -19.5254 13.8989 49.6174 -15.8511 -20.322 -15.5658 -20.7389 TIMING: 3201600 CPU: 10184.7, 0.00317537/step Wall: 10184.7, 0.00317537/step, 1.58627 hours remaining, 241.578125 MB of memory in use. ENERGY: 3201600 4022.7287 20598.2026 14452.8903 246.5275 -202943.8183 2217.7536 0.0000 0.0000 52147.0356 -109258.6800 299.6897 -161405.7155 -108895.8508 300.2858 -227.4842 -201.4156 761157.4755 1.1693 1.2135 PRESSURE: 3201800 20.9891 -144.268 -153.316 -144.268 167.417 160.081 -153.317 160.081 -370.288 GPRESSURE: 3201800 47.0736 -96.4735 -180.073 -127.336 169.499 190.608 -22.3848 31.0847 -314.551 PRESSAVG: 3201800 15.9024 -11.2411 12.6322 -11.2411 4.88277 30.867 12.6322 30.867 2.91066 GPRESSAVG: 3201800 16.5304 -12.6251 13.8033 -12.8087 3.65842 30.1431 11.83 31.7838 3.55169 TIMING: 3201800 CPU: 10185.4, 0.0031818/step Wall: 10185.4, 0.0031818/step, 1.58931 hours remaining, 241.578125 MB of memory in use. ENERGY: 3201800 3974.7607 20814.5889 14476.3358 289.1378 -202386.4882 2182.0960 0.0000 0.0000 51614.9672 -109034.6017 296.6319 -160649.5689 -108689.4429 299.9921 -60.6273 -32.6596 761784.5771 7.8986 7.9135 PRESSURE: 3202000 214.505 46.3781 48.5284 46.3776 35.7547 -28.8968 48.5297 -28.8972 242.463 GPRESSURE: 3202000 153.941 -34.2755 15.5802 -41.6232 114.253 -57.9914 39.1759 5.76357 301.496 PRESSAVG: 3202000 -9.57739 -25.8679 -24.6526 -25.8679 58.65 23.9424 -24.6526 23.9424 0.0562922 GPRESSAVG: 3202000 -10.9464 -25.2207 -24.8511 -22.2703 59.6793 25.4247 -24.8092 24.1365 0.194383 TIMING: 3202000 CPU: 10186, 0.00316238/step Wall: 10186, 0.00316238/step, 1.57943 hours remaining, 241.578125 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: 3202000 4072.1692 20513.6220 14476.1790 236.7882 -202807.5695 2253.7929 0.0000 0.0000 52078.1038 -109176.9143 299.2936 -161255.0181 -108813.3356 300.1754 164.2408 189.8966 760657.1442 16.3763 16.3091 PRESSURE: 3202200 185.264 112.179 -224.328 112.178 -245.311 -40.9687 -224.328 -40.9685 189.959 GPRESSURE: 3202200 204.237 212.89 -246.841 103.826 -156.361 0.852244 -85.7985 -1.44003 164.821 PRESSAVG: 3202200 -26.6866 -34.8829 -8.18624 -34.8829 94.6059 30.5633 -8.18618 30.5632 12.9861 GPRESSAVG: 3202200 -25.8355 -33.3217 -9.59168 -36.3763 94.2366 29.5435 -7.0623 28.8669 12.627 TIMING: 3202200 CPU: 10186.6, 0.00316108/step Wall: 10186.6, 0.00316108/step, 1.57861 hours remaining, 241.578125 MB of memory in use. ENERGY: 3202200 4029.2752 20578.4923 14471.8154 224.8264 -202680.8605 2190.4696 0.0000 0.0000 51997.0254 -109188.9562 298.8276 -161185.9816 -108822.0370 300.3588 43.3039 70.8991 759352.6364 26.9685 27.0094 PRESSURE: 3202400 304.873 92.4943 -274.866 92.4952 114.148 103.507 -274.866 103.506 -42.6387 GPRESSURE: 3202400 343.473 137.126 -242.346 95.689 162.582 160.045 -281.1 104.431 -44.4279 PRESSAVG: 3202400 -70.2857 3.84586 -8.43829 3.84586 9.50662 22.1005 -8.43826 22.1003 -3.70322 GPRESSAVG: 3202400 -69.7661 2.00764 -9.24743 4.20661 9.47717 22.3649 -7.58824 23.1389 -4.00318 TIMING: 3202400 CPU: 10187.3, 0.00315343/step Wall: 10187.3, 0.00315343/step, 1.57461 hours remaining, 241.578125 MB of memory in use. ENERGY: 3202400 3945.0819 20603.4202 14487.0127 241.6085 -203159.2898 2503.9584 0.0000 0.0000 52357.3654 -109020.8427 300.8985 -161378.2081 -108665.3017 300.4418 125.4607 153.8757 760827.1714 -21.4941 -21.4307 PRESSURE: 3202600 -88.9575 -27.0289 102.308 -27.0286 -100.493 260.07 102.308 260.07 -216.379 GPRESSURE: 3202600 -111.927 -54.759 128.304 129.568 -7.21093 110.639 48.1686 247.546 -185.58 PRESSAVG: 3202600 12.1617 -17.532 -40.5121 -17.532 -37.5169 -18.8693 -40.5121 -18.8693 -11.8848 GPRESSAVG: 3202600 11.7715 -18.1495 -39.6747 -17.5698 -37.8913 -20.3699 -40.556 -19.2546 -11.1191 TIMING: 3202600 CPU: 10187.9, 0.00315707/step Wall: 10187.9, 0.00315707/step, 1.57626 hours remaining, 241.578125 MB of memory in use. ENERGY: 3202600 3993.7980 20436.9482 14472.5294 237.8803 -202588.9134 2042.8611 0.0000 0.0000 52306.0588 -109098.8376 300.6036 -161404.8963 -108747.2278 300.5883 -135.2765 -101.5727 762744.0961 -12.4133 -12.4130 PRESSURE: 3202800 -270.951 -172.336 30.3313 -172.335 278.229 -79.2414 30.3312 -79.241 171.576 GPRESSURE: 3202800 -261.048 -233.136 -7.87641 -176.229 292.56 -128.962 -54.3878 -18.7266 236.063 PRESSAVG: 3202800 -70.1952 -62.2868 -18.9542 -62.2869 21.8809 1.35539 -18.9541 1.35541 -6.10831 GPRESSAVG: 3202800 -68.2057 -62.3007 -18.4206 -63.6847 21.2064 3.63154 -21.5031 0.868232 -7.42468 TIMING: 3202800 CPU: 10188.5, 0.00315694/step Wall: 10188.5, 0.00315694/step, 1.57601 hours remaining, 241.578125 MB of memory in use. ENERGY: 3202800 3999.6505 20569.2338 14554.3519 252.0672 -203445.5481 2741.1119 0.0000 0.0000 52141.4346 -109187.6981 299.6575 -161329.1327 -108836.6919 300.1517 59.6178 89.1916 760535.4622 -18.1409 -18.1413 PRESSURE: 3203000 -2.58257 -25.5752 -231.039 -25.5753 237.943 205.027 -231.039 205.026 -329.131 GPRESSURE: 3203000 53.8231 -92.6462 -224.308 -17.0466 193.084 111.465 -261.941 258.264 -244.156 PRESSAVG: 3203000 11.7751 -43.2758 7.8497 -43.2758 -24.0981 -2.35958 7.84978 -2.35957 11.7038 GPRESSAVG: 3203000 10.564 -43.0495 6.52698 -42.0463 -23.591 -4.94641 10.3529 -0.555711 13.0019 TIMING: 3203000 CPU: 10189.2, 0.00316697/step Wall: 10189.2, 0.00316697/step, 1.58084 hours remaining, 241.578125 MB of memory in use. ENERGY: 3203000 4032.4506 20371.7723 14472.0172 244.1733 -202944.4149 2689.7787 0.0000 0.0000 52065.2692 -109068.9536 299.2198 -161134.2228 -108707.7915 299.8361 -31.2570 0.9170 764405.4056 -0.2064 -0.0084 PRESSURE: 3203200 -176.786 55.56 134.362 55.5608 -30.1137 -35.7284 134.362 -35.7272 347.678 GPRESSURE: 3203200 -163.257 -91.0701 105.288 76.3494 89.9691 58.2783 47.6819 -28.8849 321.166 PRESSAVG: 3203200 -44.1068 56.4906 35.7702 56.4906 54.5088 15.4047 35.7703 15.4048 13.1193 GPRESSAVG: 3203200 -43.7401 57.1679 35.469 53.2464 53.9425 16.6252 33.9068 15.527 13.6394 TIMING: 3203200 CPU: 10189.8, 0.00315062/step Wall: 10189.8, 0.00315062/step, 1.57251 hours remaining, 241.578125 MB of memory in use. ENERGY: 3203200 4002.0122 20376.9821 14510.7639 242.1162 -203031.5584 2503.1674 0.0000 0.0000 52319.4051 -109077.1114 300.6803 -161396.5166 -108713.3408 299.6295 46.9262 82.6259 763121.6140 7.8405 7.9473 PRESSURE: 3203400 -112.029 6.51862 1.25394 6.51884 318.374 210.264 1.2549 210.263 -398.271 GPRESSURE: 3203400 -29.2559 9.26814 -5.07754 130.119 261.674 130.19 -80.444 162.695 -338.427 PRESSAVG: 3203400 -12.7578 15.3099 7.64986 15.3099 0.423851 4.18148 7.64982 4.18142 -21.4383 GPRESSAVG: 3203400 -13.0526 15.9347 9.5989 16.1058 -0.0123716 2.43383 8.05059 4.57223 -21.3341 TIMING: 3203400 CPU: 10190.4, 0.00314777/step Wall: 10190.4, 0.00314777/step, 1.57091 hours remaining, 241.578125 MB of memory in use. ENERGY: 3203400 3992.3572 20409.2888 14564.0661 265.5065 -203140.4375 2562.2475 0.0000 0.0000 52077.8670 -109269.1043 299.2922 -161346.9713 -108897.8804 299.3388 -63.9752 -35.3365 761896.6141 -11.2574 -11.4664 PRESSURE: 3203600 -140.279 -347.637 13.6455 -347.636 -89.0599 -210.919 13.6452 -210.918 -343.963 GPRESSURE: 3203600 -31.4849 -230.277 -4.79007 -333.018 -88.4533 -131.538 127.563 -228.644 -354.821 PRESSAVG: 3203600 13.3134 -9.70403 -20.9113 -9.70401 -1.36549 -15.0283 -20.9113 -15.0283 -4.44417 GPRESSAVG: 3203600 13.1788 -9.97556 -21.1368 -9.99634 -0.32763 -12.5762 -22.1214 -14.557 -5.48985 TIMING: 3203600 CPU: 10191.1, 0.00315449/step Wall: 10191.1, 0.00315449/step, 1.57409 hours remaining, 241.578125 MB of memory in use. ENERGY: 3203600 3998.1856 20573.1797 14472.2275 225.4658 -202853.2271 2310.8995 0.0000 0.0000 52205.1229 -109068.1460 300.0236 -161273.2689 -108708.3701 299.5578 -191.1007 -158.2531 760616.8998 2.5013 2.4538 PRESSURE: 3203800 -145.132 -45.4039 -287.046 -45.4038 328.031 145.523 -287.046 145.522 -211.813 GPRESSURE: 3203800 -92.2271 -201.721 -402.356 -143.819 359.241 94.2046 -276.264 3.8621 -188.792 PRESSAVG: 3203800 6.71701 -39.0486 -31.2145 -39.0485 3.58849 -11.6427 -31.2145 -11.6428 -7.10995 GPRESSAVG: 3203800 6.54722 -38.5205 -30.4203 -40.5801 3.81063 -12.4676 -30.0634 -12.703 -7.0062 TIMING: 3203800 CPU: 10191.7, 0.0031419/step Wall: 10191.7, 0.0031419/step, 1.56763 hours remaining, 241.578125 MB of memory in use. ENERGY: 3203800 4004.4498 20538.0938 14463.5972 231.7687 -202647.7204 2474.0611 0.0000 0.0000 51922.4321 -109013.3178 298.3989 -160935.7499 -108658.1917 299.7912 -9.6383 26.0738 760616.7924 1.0652 1.1172 PRESSURE: 3204000 37.6646 15.4368 -52.8997 15.436 -278.951 -158.985 -52.9001 -158.985 -4.69392 GPRESSURE: 3204000 78.0647 63.9304 -82.1728 32.772 -192.232 -182.193 -68.4356 -266.102 -50.5701 PRESSAVG: 3204000 7.69263 -6.03925 12.4831 -6.03925 33.8635 -6.11925 12.4832 -6.11914 8.00791 GPRESSAVG: 3204000 7.76239 -9.46287 11.3061 -3.88448 33.6991 -7.36286 11.0769 -7.21203 7.65583 TIMING: 3204000 CPU: 10192.3, 0.00316184/step Wall: 10192.3, 0.00316184/step, 1.57741 hours remaining, 241.578125 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: 3204000 3901.7255 20655.7287 14463.2584 259.3659 -203374.3173 2696.1748 0.0000 0.0000 52482.7842 -108915.2799 301.6193 -161398.0641 -108560.4623 300.7506 -81.9936 -54.9124 761142.2725 16.5213 16.3724 PRESSURE: 3204200 -181.255 -51.3908 -38.8723 -51.3906 -206.888 -66.8726 -38.873 -66.8731 132.322 GPRESSURE: 3204200 -78.4729 -139.948 -28.3438 -69.5736 -221.776 -62.1652 71.0207 9.62206 108.377 PRESSAVG: 3204200 -12.2062 -13.0613 24.1978 -13.0613 23.773 4.24083 24.1978 4.24081 25.1763 GPRESSAVG: 3204200 -12.014 -10.6653 23.2091 -13.485 24.1921 4.52321 25.4321 6.46879 24.9694 TIMING: 3204200 CPU: 10193, 0.00314345/step Wall: 10193, 0.00314345/step, 1.56806 hours remaining, 241.578125 MB of memory in use. ENERGY: 3204200 4015.3173 20590.0159 14441.9564 252.3854 -202736.8042 2334.0252 0.0000 0.0000 52003.3332 -109099.7709 298.8639 -161103.1041 -108736.7444 300.6354 -85.2734 -63.9572 761668.7267 12.2477 12.3825 LDB: ============= START OF LOAD BALANCING ============== 10205.4 LDB: ============== END OF LOAD BALANCING =============== 10205.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10205.4 LDB: ============= START OF LOAD BALANCING ============== 10205.7 LDB: Largest compute 7061 load 0.036598 is 18.7% of average load 0.195295 LDB: Average compute 0.004395 is 2.3% of average load 0.195295 LDB: TIME 10205.7 LOAD: AVG 0.195295 MAX 0.212954 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.961 MB LDB: TIME 10205.7 LOAD: AVG 0.195295 MAX 0.212954 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.059 MB LDB: TIME 10205.7 LOAD: AVG 0.195295 MAX 0.212954 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.059 MB LDB: ============== END OF LOAD BALANCING =============== 10205.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10205.7 PRESSURE: 3204400 -216.554 -21.5192 -35.1599 -21.5199 -145.171 70.6776 -35.16 70.6768 169.011 GPRESSURE: 3204400 -186.197 -16.9822 -57.2249 -41.1071 -97.8201 130.823 7.33271 146.588 182.737 PRESSAVG: 3204400 -2.04745 26.957 13.9058 26.957 -8.78514 46.7489 13.9057 46.749 -14.6829 GPRESSAVG: 3204400 -2.32318 23.804 12.869 28.2785 -8.43993 49.0506 13.6096 45.1526 -14.2673 TIMING: 3204400 CPU: 10193.6, 0.0032136/step Wall: 10193.6, 0.0032136/step, 1.60287 hours remaining, 242.023438 MB of memory in use. ENERGY: 3204400 3963.1557 20520.9771 14459.7428 247.9679 -202462.1649 2208.6777 0.0000 0.0000 51928.4830 -109133.1607 298.4337 -161061.6437 -108777.6561 300.2417 -64.2380 -33.7602 762372.1718 -8.5052 -8.3435 PRESSURE: 3204600 -36.0479 -83.5516 -121.664 -83.5511 -254.272 81.6007 -121.664 81.6005 335.063 GPRESSURE: 3204600 -76.3806 -5.93762 -195.581 16.7094 -207.229 59.8864 -146.647 43.5156 408.711 PRESSAVG: 3204600 37.5559 -29.795 -10.4328 -29.795 0.0718874 10.7737 -10.4328 10.7737 22.3257 GPRESSAVG: 3204600 37.3532 -26.8308 -10.6598 -30.1222 0.418477 11.3178 -9.48229 8.59536 22.5256 TIMING: 3204600 CPU: 10194.2, 0.00317012/step Wall: 10194.2, 0.00317013/step, 1.58101 hours remaining, 242.089844 MB of memory in use. ENERGY: 3204600 4024.2619 20641.7036 14464.5222 237.6491 -203045.3786 2486.0426 0.0000 0.0000 52063.0189 -109128.1803 299.2069 -161191.1992 -108766.2425 300.0831 14.9144 41.7006 761629.3584 19.9845 20.0991 PRESSURE: 3204800 91.9331 75.4582 176.797 75.4583 -131.434 -36.7412 176.796 -36.7408 -141.884 GPRESSURE: 3204800 107.463 90.7891 134.79 135.355 -88.2766 -177.66 240.157 60.4876 -108.088 PRESSAVG: 3204800 -6.44934 25.7153 -9.25385 25.7153 -2.98768 -59.0694 -9.25386 -59.0694 -10.2566 GPRESSAVG: 3204800 -6.13609 26.5855 -8.69321 26.4191 -3.01949 -61.3853 -10.2546 -56.033 -10.3177 TIMING: 3204800 CPU: 10194.9, 0.00316695/step Wall: 10194.9, 0.00316695/step, 1.57925 hours remaining, 242.089844 MB of memory in use. ENERGY: 3204800 4010.5931 20765.2380 14446.6343 233.5192 -202783.8209 2296.7916 0.0000 0.0000 51822.4272 -109208.6176 297.8242 -161031.0449 -108849.0562 300.3906 -60.4618 -29.6338 761981.5941 -6.5645 -6.4911 PRESSURE: 3205000 -65.5984 -82.3038 -45.8381 -82.3028 -414.307 -74.5656 -45.8379 -74.5661 -289.939 GPRESSURE: 3205000 -103.779 -47.2664 -111.18 -54.1286 -293.672 -64.6645 6.41305 -177.389 -303.082 PRESSAVG: 3205000 19.5583 -47.7478 -18.3298 -47.7479 6.27908 28.3928 -18.3298 28.3929 23.3665 GPRESSAVG: 3205000 19.2199 -46.3168 -17.701 -48.0426 5.84431 29.7943 -19.5111 28.4055 23.7029 TIMING: 3205000 CPU: 10195.5, 0.00320836/step Wall: 10195.5, 0.00320836/step, 1.59972 hours remaining, 242.089844 MB of memory in use. ENERGY: 3205000 3956.9469 20749.1399 14507.7901 256.4377 -203185.4380 2530.1262 0.0000 0.0000 52027.1592 -109157.8381 299.0008 -161184.9973 -108795.7007 299.6811 -256.6148 -233.5111 762147.8838 16.4013 16.2557 PRESSURE: 3205200 -84.8923 227.322 -230.127 227.322 -222.719 21.8956 -230.127 21.8957 283.96 GPRESSURE: 3205200 -136.279 180.625 -159.54 254.767 -124.157 40.0389 -235.96 172.508 314.277 PRESSAVG: 3205200 13.7674 -6.52902 38.3362 -6.52906 -12.5236 23.117 38.3362 23.117 -10.6488 GPRESSAVG: 3205200 13.6787 -8.41737 38.6635 -7.36987 -11.4799 22.0954 40.2542 21.476 -11.2106 TIMING: 3205200 CPU: 10196.1, 0.00313423/step Wall: 10196.1, 0.00313423/step, 1.56259 hours remaining, 242.089844 MB of memory in use. ENERGY: 3205200 3948.8868 20672.9661 14574.8645 256.5288 -203260.7856 2580.0819 0.0000 0.0000 52100.6427 -109126.8147 299.4231 -161227.4574 -108769.1642 299.7123 -7.8839 17.9472 761787.1243 -3.1350 -3.0039 PRESSURE: 3205400 -79.9793 15.3662 24.2905 15.3661 266.195 231.096 24.2904 231.096 -20.9846 GPRESSURE: 3205400 5.68557 31.274 -21.1617 -44.8397 190.145 200.227 25.2199 248.777 68.7249 PRESSAVG: 3205400 4.07629 -30.4881 50.1777 -30.4881 -34.5561 59.2022 50.1777 59.2022 -0.550957 GPRESSAVG: 3205400 4.23719 -30.739 49.3051 -29.3532 -34.9381 58.4954 50.9716 59.8893 -0.144046 TIMING: 3205400 CPU: 10196.8, 0.00313976/step Wall: 10196.8, 0.00313977/step, 1.56517 hours remaining, 242.089844 MB of memory in use. ENERGY: 3205400 3998.4134 20542.3760 14496.7103 243.0799 -203355.6963 2753.0835 0.0000 0.0000 52177.0038 -109145.0295 299.8620 -161322.0333 -108785.4142 299.7502 55.0772 88.1850 760128.9242 -10.3436 -10.2817 PRESSURE: 3205600 -125.277 22.7724 -26.546 22.7728 95.9605 -43.4642 -26.5458 -43.465 -408.242 GPRESSURE: 3205600 5.27383 -122.378 -91.0971 127.48 36.6245 -117.977 -75.1601 -87.1411 -372.948 PRESSAVG: 3205600 35.9056 3.16667 -32.4204 3.16668 8.11863 -10.6137 -32.4204 -10.6137 19.2889 GPRESSAVG: 3205600 37.3854 1.56798 -34.0372 2.08756 5.99989 -9.82128 -31.3527 -9.59918 20.0642 TIMING: 3205600 CPU: 10197.4, 0.00316617/step Wall: 10197.4, 0.00316617/step, 1.57816 hours remaining, 242.089844 MB of memory in use. ENERGY: 3205600 3999.6143 20448.1574 14471.4842 235.3447 -203282.6900 2619.6609 0.0000 0.0000 52175.4548 -109332.9737 299.8531 -161508.4285 -108971.6624 299.5698 -145.8526 -110.3497 760687.7948 21.1044 21.1498 PRESSURE: 3205800 211.393 19.9013 -39.0924 19.9007 115.898 237.088 -39.0928 237.089 356.137 GPRESSURE: 3205800 264.057 -12.6252 -37.0663 -48.9783 148.854 144.828 -145.522 267.157 361.109 PRESSAVG: 3205800 15.5516 -23.3758 8.13886 -23.3758 -7.0335 19.9433 8.13885 19.9433 -3.41444 GPRESSAVG: 3205800 14.8998 -24.4283 10.0792 -22.9848 -4.94416 20.4457 6.06298 19.1967 -5.32883 TIMING: 3205800 CPU: 10198, 0.00320028/step Wall: 10198, 0.00320028/step, 1.59498 hours remaining, 242.089844 MB of memory in use. ENERGY: 3205800 3987.0395 20587.7233 14500.0871 238.0196 -203617.1702 2778.0381 0.0000 0.0000 51940.7826 -109585.4799 298.5044 -161526.2626 -109235.0879 299.2789 227.8096 258.0067 759798.9756 1.7012 1.5423 PRESSURE: 3206000 -264.313 142.522 -18.7884 142.522 -167.479 116.77 -18.7885 116.77 298.607 GPRESSURE: 3206000 -241.276 -31.9712 -169.488 199.456 -150.349 81.6174 -85.0186 160.941 346.549 PRESSAVG: 3206000 -10.6194 -25.1886 -49.9291 -25.1886 20.9256 26.7233 -49.9291 26.7233 12.0159 GPRESSAVG: 3206000 -11.4213 -25.0735 -50.5513 -24.8182 19.5864 25.741 -48.6296 28.9078 14.0291 TIMING: 3206000 CPU: 10198.7, 0.00315843/step Wall: 10198.7, 0.00315843/step, 1.57395 hours remaining, 242.089844 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: 3206000 3991.3175 20507.4609 14398.3703 254.8488 -203238.6903 2250.1701 0.0000 0.0000 51906.5634 -109929.9593 298.3077 -161836.5227 -109575.6925 298.4620 -44.3949 -15.0257 761025.5163 7.4407 7.3981 PRESSURE: 3206200 36.4903 -79.2584 -46.2304 -79.2584 -196.11 110.782 -46.2312 110.783 -366.859 GPRESSURE: 3206200 98.4715 -28.6384 -45.8807 -44.6491 -193.553 67.3985 -62.0396 -38.0203 -361.569 PRESSAVG: 3206200 17.6469 -12.4139 6.774 -12.4138 -9.98529 26.4328 6.77401 26.4327 -26.503 GPRESSAVG: 3206200 17.5433 -12.0313 6.75469 -12.6821 -10.3816 28.5072 5.53975 22.484 -26.4132 TIMING: 3206200 CPU: 10199.3, 0.00315686/step Wall: 10199.3, 0.00315686/step, 1.57299 hours remaining, 242.089844 MB of memory in use. ENERGY: 3206200 3997.0351 20675.8770 14514.4381 235.4622 -203458.7119 2564.6368 0.0000 0.0000 51640.4614 -109830.8013 296.7784 -161471.2626 -109473.9367 297.8169 -175.4930 -152.2169 761059.7806 -6.2805 -6.4171 PRESSURE: 3206400 139.622 -244.387 -126.683 -244.386 -122.863 14.1088 -126.683 14.1083 458.662 GPRESSURE: 3206400 87.9089 -138.552 -55.5132 -270.644 -17.6699 33.2991 -48.8454 17.1479 517.488 PRESSAVG: 3206400 18.6266 -73.7121 -33.0185 -73.7121 -25.9464 39.694 -33.0184 39.6939 -13.9168 GPRESSAVG: 3206400 18.4687 -72.8148 -32.5487 -73.5909 -24.606 38.6942 -32.9336 39.4309 -15.3852 TIMING: 3206400 CPU: 10199.9, 0.00313351/step Wall: 10199.9, 0.00313351/step, 1.56118 hours remaining, 242.089844 MB of memory in use. ENERGY: 3206400 3900.3239 20545.9646 14469.0080 267.9322 -203231.1916 2328.4768 0.0000 0.0000 52024.3630 -109695.1231 298.9847 -161719.4861 -109318.0082 298.4080 158.4737 195.9090 760925.7913 -7.0789 -7.1742 PRESSURE: 3206600 -219.873 237.244 -285.2 237.244 -20.6694 59.9458 -285.201 59.9462 21.642 GPRESSURE: 3206600 -141.558 226.874 -288.218 194.748 -93.241 39.8574 -209.077 87.4794 105.876 PRESSAVG: 3206600 -28.8747 -12.6182 -6.51661 -12.6182 -16.7333 6.29089 -6.5166 6.29089 4.096 GPRESSAVG: 3206600 -28.6923 -13.4424 -6.89552 -14.0078 -17.2981 6.92487 -4.02398 8.57995 4.14002 TIMING: 3206600 CPU: 10200.6, 0.00315741/step Wall: 10200.6, 0.00315741/step, 1.57291 hours remaining, 242.089844 MB of memory in use. ENERGY: 3206600 3935.3921 20589.5428 14550.8236 238.9980 -203018.5105 2412.3731 0.0000 0.0000 51571.2495 -109720.1314 296.3807 -161291.3809 -109360.8170 298.3108 -72.9669 -42.9743 761266.9926 -13.8373 -13.9502 PRESSURE: 3206800 213.038 -48.4848 136.549 -48.4842 -64.8293 -177.776 136.55 -177.776 229.64 GPRESSURE: 3206800 143.933 -66.5741 95.311 44.22 23.0396 -123.353 151.722 -258.16 282.13 PRESSAVG: 3206800 84.8707 7.17858 -43.5494 7.17862 -69.354 14.725 -43.5494 14.7249 -2.1033 GPRESSAVG: 3206800 84.4516 7.26324 -43.2427 7.40691 -70.4733 13.4422 -45.8011 14.5257 -0.716037 TIMING: 3206800 CPU: 10201.2, 0.00315165/step Wall: 10201.2, 0.00315165/step, 1.56987 hours remaining, 242.089844 MB of memory in use. ENERGY: 3206800 3980.5275 20436.3735 14576.3246 257.0455 -203738.4442 2770.6292 0.0000 0.0000 52032.6000 -109684.9439 299.0321 -161717.5439 -109320.8248 298.3387 125.9499 149.7010 759585.9581 4.4711 4.4207 PRESSURE: 3207000 38.6241 54.2767 -23.0804 54.2772 160.317 -81.9527 -23.0816 -81.9523 18.6897 GPRESSURE: 3207000 89.8227 25.0728 -127.645 88.0972 143.977 -61.0546 5.98874 -67.617 68.2259 PRESSAVG: 3207000 8.69239 -39.7651 -66.7196 -39.7651 22.8969 -14.4183 -66.7196 -14.4184 16.6828 GPRESSAVG: 3207000 7.68537 -40.0152 -68.1012 -39.6376 25.0432 -12.9702 -66.2925 -14.1688 15.7467 TIMING: 3207000 CPU: 10201.8, 0.00317171/step Wall: 10201.8, 0.00317171/step, 1.57969 hours remaining, 242.089844 MB of memory in use. ENERGY: 3207000 3972.6297 20455.8654 14451.7675 265.9073 -203266.2970 2362.3713 0.0000 0.0000 52022.6407 -109735.1151 298.9748 -161757.7558 -109367.2554 298.7060 72.5438 100.6753 760521.4066 16.0907 16.1584 PRESSURE: 3207200 -201.551 8.75375 -184.568 8.75434 16.3125 41.1435 -184.569 41.1436 -101.746 GPRESSURE: 3207200 -168.826 7.61551 -203.28 51.1652 32.9824 19.4055 -191.38 19.6978 -54.2995 PRESSAVG: 3207200 -17.1171 -36.3751 -49.0144 -36.3752 10.5496 22.9381 -49.0144 22.9381 -38.8811 GPRESSAVG: 3207200 -15.7892 -35.4964 -47.8343 -36.5787 10.0831 23.0719 -49.7107 22.1164 -39.5032 TIMING: 3207200 CPU: 10202.5, 0.00321038/step Wall: 10202.5, 0.00321038/step, 1.59877 hours remaining, 242.089844 MB of memory in use. ENERGY: 3207200 4029.7978 20561.4542 14526.9536 248.2864 -203115.6356 2343.2199 0.0000 0.0000 51643.0961 -109762.8276 296.7936 -161405.9237 -109401.3422 298.2607 -95.6615 -63.3810 760736.7062 -15.1495 -15.0697 PRESSURE: 3207400 -212.742 233.998 18.6985 233.999 62.4554 -115.024 18.6989 -115.025 -143.695 GPRESSURE: 3207400 -58.7783 240.255 28.7903 268.388 -48.9868 -24.7135 -80.8967 -86.6711 -117.651 PRESSAVG: 3207400 26.5019 -14.7921 -49.744 -14.7921 -16.018 13.6989 -49.744 13.6989 16.7048 GPRESSAVG: 3207400 26.5079 -13.8139 -50.8518 -14.1936 -17.1308 13.5675 -49.8439 15.2706 17.7265 TIMING: 3207400 CPU: 10203.1, 0.00319465/step Wall: 10203.1, 0.00319465/step, 1.59076 hours remaining, 242.089844 MB of memory in use. ENERGY: 3207400 3896.9409 20625.9746 14451.7971 256.5032 -203293.4104 2167.4080 0.0000 0.0000 52137.4426 -109757.3439 299.6346 -161894.7866 -109386.0265 298.8035 -97.9938 -75.1388 759882.5488 9.0629 9.0345 PRESSURE: 3207600 187.71 -126.427 -155.396 -126.427 16.3561 -36.6413 -155.395 -36.6417 -84.9606 GPRESSURE: 3207600 185.908 -118.741 -165.919 -169.683 116.357 -39.5048 -43.0298 -176.633 -87.9675 PRESSAVG: 3207600 26.3965 -16.4735 -43.7467 -16.4735 15.8893 3.65843 -43.7467 3.65835 12.4372 GPRESSAVG: 3207600 25.312 -17.0817 -43.902 -16.1028 17.281 3.0489 -43.3704 3.50498 11.8979 TIMING: 3207600 CPU: 10203.7, 0.00319995/step Wall: 10203.7, 0.00319995/step, 1.59322 hours remaining, 242.089844 MB of memory in use. ENERGY: 3207600 3943.5060 20595.7592 14477.4611 232.0701 -203577.1203 2723.8209 0.0000 0.0000 51980.5984 -109623.9047 298.7332 -161604.5031 -109252.8473 298.6257 39.7017 71.4323 761212.2799 18.2410 18.1637 PRESSURE: 3207800 -82.3364 -32.7413 -103.357 -32.7402 -90.3586 1.20907 -103.358 1.20968 97.3087 GPRESSURE: 3207800 6.87498 -33.3511 -76.6718 44.8848 -118.499 -91.0416 8.02631 -43.5212 115.889 PRESSAVG: 3207800 -41.4598 -12.5178 11.8684 -12.5179 33.0832 -4.70132 11.8684 -4.70137 -18.9376 GPRESSAVG: 3207800 -40.0749 -12.7957 11.9192 -12.8936 31.255 -5.05787 13.8741 -4.65497 -18.4957 TIMING: 3207800 CPU: 10204.4, 0.00321106/step Wall: 10204.4, 0.00321106/step, 1.59857 hours remaining, 242.089844 MB of memory in use. ENERGY: 3207800 4055.6459 20383.1608 14466.5410 234.8703 -203179.6599 2276.8480 0.0000 0.0000 52220.0058 -109542.5880 300.1091 -161762.5939 -109176.4595 299.2465 -25.1288 1.4218 760930.3923 -9.1047 -9.1052 PRESSURE: 3208000 -234.811 -31.1809 152.609 -31.1803 -154.4 43.5053 152.609 43.5063 -227.805 GPRESSURE: 3208000 -220.657 -58.5824 144.115 32.2479 -16.114 -17.0053 168.93 86.263 -295.138 PRESSAVG: 3208000 -8.31877 -62.0535 2.80242 -62.0534 -17.1594 32.1176 2.80243 32.1177 -2.72725 GPRESSAVG: 3208000 -8.30067 -61.1196 4.18471 -62.4392 -14.7264 32.7067 0.692662 30.2097 -4.64423 TIMING: 3208000 CPU: 10205, 0.00318001/step Wall: 10205, 0.00318001/step, 1.58294 hours remaining, 242.089844 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: 3208000 4018.5023 20382.7221 14507.8461 285.1115 -203223.0543 2193.7542 0.0000 0.0000 52216.7425 -109618.3757 300.0903 -161835.1182 -109249.5624 299.2563 -205.6719 -177.3030 761134.7204 -9.4018 -9.2238 PRESSURE: 3208200 82.9932 -9.11886 316.448 -9.11866 -8.93398 -230.041 316.448 -230.041 -32.6926 GPRESSURE: 3208200 115.339 -83.1469 138.405 -29.6825 18.2753 -270.307 248.291 -281.066 -3.98831 PRESSAVG: 3208200 -2.9775 -65.1259 -40.7671 -65.1259 37.4364 -1.70767 -40.7671 -1.70774 11.5147 GPRESSAVG: 3208200 -4.0368 -69.9526 -41.9757 -63.3184 36.7455 -1.84124 -40.2229 -1.1785 12.902 TIMING: 3208200 CPU: 10205.7, 0.0031911/step Wall: 10205.7, 0.0031911/step, 1.58828 hours remaining, 242.089844 MB of memory in use. ENERGY: 3208200 3982.0462 20370.1869 14538.9492 248.3641 -203207.1434 2069.9819 0.0000 0.0000 52153.2389 -109844.3761 299.7254 -161997.6150 -109468.0939 298.4649 13.7888 43.2088 760969.9343 15.3245 15.2036 LDB: ============= START OF LOAD BALANCING ============== 10218.1 LDB: ============== END OF LOAD BALANCING =============== 10218.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10218.1 LDB: ============= START OF LOAD BALANCING ============== 10218.4 LDB: Largest compute 7034 load 0.039206 is 20.1% of average load 0.195208 LDB: Average compute 0.004414 is 2.3% of average load 0.195208 LDB: TIME 10218.4 LOAD: AVG 0.195208 MAX 0.21537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 10218.4 LOAD: AVG 0.195208 MAX 0.21537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: TIME 10218.4 LOAD: AVG 0.195208 MAX 0.21537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: ============== END OF LOAD BALANCING =============== 10218.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10218.4 PRESSURE: 3208400 -126.762 78.7608 133.63 78.7607 -34.1159 101.928 133.63 101.929 -268.208 GPRESSURE: 3208400 -70.3112 103.172 134.347 19.5684 -3.25424 17.9053 166.967 75.1209 -252.401 PRESSAVG: 3208400 -53.0084 -64.8253 -8.81968 -64.8253 -28.2787 42.9264 -8.81971 42.9263 4.90435 GPRESSAVG: 3208400 -51.2047 -62.1341 -7.77151 -67.7249 -28.5329 42.4846 -9.28866 43.7388 3.58096 TIMING: 3208400 CPU: 10206.3, 0.00324435/step Wall: 10206.3, 0.00324435/step, 1.6146 hours remaining, 239.324219 MB of memory in use. ENERGY: 3208400 4020.8602 20660.0604 14580.3504 254.2042 -203543.3902 2449.9196 0.0000 0.0000 51691.1101 -109886.8853 297.0695 -161577.9954 -109533.8003 298.7065 -143.0286 -108.6554 761951.0387 -25.4609 -25.3855 PRESSURE: 3208600 -168.987 -94.6104 -199.152 -94.6103 -78.6481 -211.84 -199.151 -211.84 -220.388 GPRESSURE: 3208600 -160.85 -118.298 -152.458 -98.2939 -38.2344 -287.177 -24.8916 -91.967 -175.168 PRESSAVG: 3208600 -23.6614 -24.3955 -6.40854 -24.3956 38.3299 -3.19899 -6.40853 -3.19894 -3.42856 GPRESSAVG: 3208600 -23.9625 -22.9645 -6.99273 -22.9376 38.6239 -3.27924 -3.57221 -3.99556 -3.77451 TIMING: 3208600 CPU: 10206.9, 0.0031481/step Wall: 10206.9, 0.0031481/step, 1.56653 hours remaining, 239.324219 MB of memory in use. ENERGY: 3208600 4027.4689 20647.6927 14518.3564 254.4414 -203533.2580 2482.3442 0.0000 0.0000 51909.4410 -109693.5135 298.3243 -161602.9544 -109326.2385 298.9146 -156.0078 -124.7508 760866.2104 3.7466 3.6290 PRESSURE: 3208800 -272.93 -81.3371 174.813 -81.3365 -197.432 109.897 174.814 109.897 -445.722 GPRESSURE: 3208800 -222.433 -78.5353 94.7266 -66.4106 -336.697 99.6335 111.597 121.499 -267.893 PRESSAVG: 3208800 -0.147749 -73.4445 30.0636 -73.4445 -13.9228 5.00336 30.0637 5.00339 -3.9322 GPRESSAVG: 3208800 -0.784694 -75.574 29.6753 -74.2189 -13.7917 5.26031 28.9277 6.05249 -3.31308 TIMING: 3208800 CPU: 10207.6, 0.00315363/step Wall: 10207.6, 0.00315363/step, 1.56911 hours remaining, 239.324219 MB of memory in use. ENERGY: 3208800 3958.7090 20559.4426 14504.9245 241.6979 -203359.7062 2412.3236 0.0000 0.0000 51909.5232 -109773.0855 298.3247 -161682.6087 -109405.8592 298.6241 -305.3615 -275.6742 762032.2090 -6.0009 -5.9632 PRESSURE: 3209000 58.0537 10.8738 224.166 10.8741 189.016 149.672 224.165 149.672 303.117 GPRESSURE: 3209000 173.391 119.244 197.901 30.5914 178.516 213.601 235.475 131.038 271.101 PRESSAVG: 3209000 -58.6967 -67.7461 23.2015 -67.7463 53.8414 -0.383744 23.2015 -0.383765 -16.4098 GPRESSAVG: 3209000 -58.7909 -67.5909 24.0983 -66.9062 54.1795 -0.24841 20.9854 -1.49853 -16.4282 TIMING: 3209000 CPU: 10208.2, 0.00317379/step Wall: 10208.2, 0.00317379/step, 1.57896 hours remaining, 239.324219 MB of memory in use. ENERGY: 3209000 3967.8139 20648.3864 14432.2578 243.0983 -203540.2755 2481.1316 0.0000 0.0000 51866.0105 -109901.5771 298.0747 -161767.5877 -109541.9068 298.4686 183.3957 207.6694 758447.7369 -7.0884 -7.0132 PRESSURE: 3209200 -12.6536 -112.711 -62.9514 -112.711 201.729 -109.95 -62.9518 -109.95 289.565 GPRESSURE: 3209200 77.0286 -113.742 -71.9126 -229.342 245.041 -52.4104 68.2303 -106.09 242.18 PRESSAVG: 3209200 -21.1753 -48.4422 -42.8582 -48.4421 47.1416 23.8177 -42.8582 23.8178 40.6296 GPRESSAVG: 3209200 -22.2104 -46.9792 -41.9017 -50.6643 47.1236 24.749 -41.0692 23.4167 40.9474 TIMING: 3209200 CPU: 10208.8, 0.00317573/step Wall: 10208.8, 0.00317573/step, 1.57975 hours remaining, 239.324219 MB of memory in use. ENERGY: 3209200 3962.9211 20511.0413 14465.8763 253.9720 -203715.1334 2597.1656 0.0000 0.0000 51834.3694 -110089.7877 297.8928 -161924.1571 -109722.6707 298.7203 159.5467 188.0832 759621.2013 22.1986 21.9535 PRESSURE: 3209400 -188.83 13.4868 -137.917 13.4866 -159.71 53.4487 -137.918 53.4479 -303.322 GPRESSURE: 3209400 -154.687 59.8575 -138.012 71.705 -149.083 -32.9633 -299.059 56.1062 -250.453 PRESSAVG: 3209400 -17.7854 6.40045 -16.7818 6.40044 27.3603 -23.0005 -16.7818 -23.0005 -17.7659 GPRESSAVG: 3209400 -17.3902 4.16978 -19.1784 7.64044 28.0059 -23.3192 -17.648 -22.4353 -17.7089 TIMING: 3209400 CPU: 10209.5, 0.00316223/step Wall: 10209.5, 0.00316223/step, 1.57286 hours remaining, 239.324219 MB of memory in use. ENERGY: 3209400 4029.7602 20418.8677 14540.0539 244.0222 -203366.4881 2266.2638 0.0000 0.0000 51866.0511 -110001.4691 298.0749 -161867.5202 -109634.1746 298.4800 -217.2871 -184.7407 759477.1165 -2.7304 -2.3644 PRESSURE: 3209600 -13.0435 -33.1818 250.313 -33.1808 66.959 -160.986 250.313 -160.985 166.353 GPRESSURE: 3209600 -12.8769 -35.7657 275.062 -29.6398 141.304 -145.482 205.028 -108.817 170.128 PRESSAVG: 3209600 12.1885 26.1838 6.10583 26.1838 -13.5724 -20.3604 6.10585 -20.3604 10.5727 GPRESSAVG: 3209600 12.5876 28.8762 6.53678 26.1782 -13.7236 -19.9308 5.21764 -20.9638 10.3256 TIMING: 3209600 CPU: 10210.1, 0.00316896/step Wall: 10210.1, 0.00316896/step, 1.57603 hours remaining, 239.324219 MB of memory in use. ENERGY: 3209600 4039.6909 20463.5467 14506.0733 261.0982 -204041.9143 2565.4447 0.0000 0.0000 51932.4593 -110273.6011 298.4566 -162206.0604 -109916.8942 298.2308 73.4227 99.5183 759678.1708 3.0629 3.0632 PRESSURE: 3209800 -3.92202 110.215 -274.236 110.215 -311.087 -184.995 -274.236 -184.996 107.852 GPRESSURE: 3209800 120.998 231.376 -263.781 52.3612 -292.391 -144.338 -231.617 -91.4962 52.6335 PRESSAVG: 3209800 -69.8051 -13.6813 16.345 -13.6814 57.0471 -37.2969 16.3451 -37.2969 -10.4625 GPRESSAVG: 3209800 -68.8126 -12.4857 16.4348 -13.7073 57.0618 -37.7499 16.1692 -36.5652 -11.1183 TIMING: 3209800 CPU: 10210.7, 0.00316994/step Wall: 10210.7, 0.00316994/step, 1.57634 hours remaining, 239.324219 MB of memory in use. ENERGY: 3209800 4007.0370 20402.9041 14455.5738 273.8656 -203763.4931 2572.9689 0.0000 0.0000 51873.0657 -110178.0781 298.1152 -162051.1438 -109819.0508 298.1251 -69.0524 -39.5866 758817.5215 -7.7402 -7.6230 PRESSURE: 3210000 134.823 -323.351 306.722 -323.35 235.897 22.2646 306.722 22.2655 128.523 GPRESSURE: 3210000 235.692 -244.596 309.384 -347.865 205.501 -17.8846 255.049 139.499 138.246 PRESSAVG: 3210000 -19.4051 -40.8852 53.2621 -40.8852 41.195 -7.45881 53.2621 -7.45881 12.7183 GPRESSAVG: 3210000 -18.9955 -44.6817 53.4526 -40.2534 39.9693 -6.8028 55.1924 -8.04707 13.9149 TIMING: 3210000 CPU: 10211.4, 0.00316019/step Wall: 10211.4, 0.00316019/step, 1.57131 hours remaining, 239.324219 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: 3210000 3997.4633 20415.5127 14463.0578 253.3762 -204095.4518 2756.2495 0.0000 0.0000 52245.4059 -109964.3862 300.2551 -162209.7922 -109596.7951 298.2346 166.4141 193.1461 758608.6566 11.5027 11.6296 PRESSURE: 3210200 -162.848 87.7235 -251.325 87.7235 -169.445 -127.762 -251.326 -127.763 67.4065 GPRESSURE: 3210200 -155.981 41.7761 -228.389 97.5752 -110.18 -64.1608 -299.226 -14.2999 101.967 PRESSAVG: 3210200 -34.0533 -3.47845 46.4291 -3.47849 30.3649 16.35 46.429 16.35 2.88783 GPRESSAVG: 3210200 -33.2815 -4.14942 46.6649 -2.28678 30.7335 16.465 45.4531 16.125 2.26161 TIMING: 3210200 CPU: 10212, 0.00315889/step Wall: 10212, 0.00315889/step, 1.5705 hours remaining, 239.324219 MB of memory in use. ENERGY: 3210200 3987.3984 20473.5152 14480.9937 227.7003 -203595.0724 2591.7489 0.0000 0.0000 52044.2102 -109789.5056 299.0988 -161833.7158 -109430.3800 298.4903 -88.2957 -54.7315 760591.7795 -0.2668 -0.0955 PRESSURE: 3210400 -20.4782 -157.716 -23.4346 -157.717 -272.771 117.567 -23.4344 117.568 193.209 GPRESSURE: 3210400 -7.39564 -42.9446 -57.7157 -180.941 -146.613 150.284 -44.4114 135.115 122.065 PRESSAVG: 3210400 -56.7699 12.149 27.5624 12.149 39.3804 26.0714 27.5625 26.0713 -32.7014 GPRESSAVG: 3210400 -58.3397 14.0165 27.0821 11.126 40.1043 25.1815 27.5026 28.2405 -32.461 TIMING: 3210400 CPU: 10212.6, 0.00314825/step Wall: 10212.6, 0.00314825/step, 1.56503 hours remaining, 239.324219 MB of memory in use. ENERGY: 3210400 3920.6837 20511.3785 14469.7865 232.2386 -203760.7640 2624.3749 0.0000 0.0000 52167.9524 -109834.3494 299.8099 -162002.3018 -109463.4159 298.5646 -33.3469 -10.6479 761541.7240 -16.6970 -16.8988 PRESSURE: 3210600 -264.085 -183.95 -59.192 -183.95 -283.691 232.819 -59.1906 232.819 156.129 GPRESSURE: 3210600 -141.768 -217.174 -87.471 -66.9314 -319.939 124.816 -52.219 145.309 136.906 PRESSAVG: 3210600 13.4017 -49.7424 -5.90601 -49.7424 0.90791 25.0389 -5.90596 25.0388 5.00174 GPRESSAVG: 3210600 14.8765 -48.9056 -5.18194 -50.1886 0.367058 24.7846 -5.39051 22.1283 4.62464 TIMING: 3210600 CPU: 10213.3, 0.00314943/step Wall: 10213.3, 0.00314943/step, 1.56544 hours remaining, 239.324219 MB of memory in use. ENERGY: 3210600 3990.9727 20667.3527 14534.3288 246.9229 -203501.2694 2354.4489 0.0000 0.0000 51955.8449 -109751.3985 298.5910 -161707.2434 -109399.6115 298.8972 -130.5493 -108.2671 760884.9313 6.4371 6.6227 PRESSURE: 3210800 -100.643 59.8471 -27.3539 59.847 -137.069 27.5108 -27.3542 27.5102 -272.032 GPRESSURE: 3210800 -169.891 37.3978 11.9157 106.579 8.6095 26.1699 -21.0547 94.208 -254.043 PRESSAVG: 3210800 15.2076 -38.854 -6.73354 -38.854 -47.2329 6.46781 -6.73354 6.46777 -17.0131 GPRESSAVG: 3210800 14.6403 -38.8811 -6.69561 -38.6633 -46.6167 7.50447 -6.37881 6.17003 -17.6857 TIMING: 3210800 CPU: 10213.9, 0.00315347/step Wall: 10213.9, 0.00315347/step, 1.56728 hours remaining, 239.324219 MB of memory in use. ENERGY: 3210800 4034.2283 20496.8449 14529.6478 262.4738 -203388.8790 2426.5723 0.0000 0.0000 51875.8350 -109763.2768 298.1311 -161639.1119 -109403.7795 298.8572 -169.9148 -138.4415 761430.3481 -16.3461 -16.5541 PRESSURE: 3211000 -170.713 328.492 -323.744 328.492 -324.36 1.2657 -323.745 1.26436 122.68 GPRESSURE: 3211000 -84.4812 261.292 -266.387 169.699 -260.138 -47.7907 -292.972 100.935 52.1989 PRESSAVG: 3211000 41.7415 -53.2164 -29.1545 -53.2164 -24.6442 48.0335 -29.1545 48.0335 -4.60269 GPRESSAVG: 3211000 40.0096 -55.4529 -28.823 -51.8176 -24.0895 47.0639 -30.6613 49.2307 -3.20484 TIMING: 3211000 CPU: 10214.5, 0.00316964/step Wall: 10214.5, 0.00316964/step, 1.57514 hours remaining, 239.324219 MB of memory in use. ENERGY: 3211000 4027.9656 20511.5391 14486.4181 227.9722 -203828.7498 2625.1918 0.0000 0.0000 52072.8848 -109876.7783 299.2636 -161949.6631 -109515.8799 298.3749 -124.1312 -97.4733 759041.6221 4.1648 4.2384 PRESSURE: 3211200 100.389 55.558 -47.7743 55.5571 129.24 1.12304 -47.7741 1.1235 -119.524 GPRESSURE: 3211200 45.429 12.6593 -115.608 -46.2592 199.578 -16.666 20.7514 13.1546 -68.8901 PRESSAVG: 3211200 35.4526 -22.9485 -43.0652 -22.9485 6.07345 21.4819 -43.0652 21.4818 -30.644 GPRESSAVG: 3211200 36.8265 -22.0751 -43.4554 -24.474 6.57037 21.6057 -42.4771 22.6283 -32.1371 TIMING: 3211200 CPU: 10215.2, 0.00314988/step Wall: 10215.2, 0.00314988/step, 1.56514 hours remaining, 239.324219 MB of memory in use. ENERGY: 3211200 3939.1677 20492.8189 14407.5396 229.9497 -203546.2813 2433.7214 0.0000 0.0000 52160.1405 -109882.9434 299.7650 -162043.0839 -109513.7146 298.5438 36.7017 58.7055 760659.4053 3.6273 3.7533 PRESSURE: 3211400 140.959 135.757 220.911 135.758 161.429 -3.31427 220.91 -3.31513 -3.06856 GPRESSURE: 3211400 129.154 34.0618 222.191 79.08 266.559 19.3707 187.8 -43.884 -24.2808 PRESSAVG: 3211400 -2.79838 -2.00463 25.7705 -2.00463 -46.4917 15.4412 25.7705 15.4412 -10.1651 GPRESSAVG: 3211400 -3.85983 0.174922 28.4374 -2.28686 -47.0868 15.9419 25.305 14.3927 -8.50708 TIMING: 3211400 CPU: 10215.8, 0.00314186/step Wall: 10215.8, 0.00314186/step, 1.56098 hours remaining, 239.324219 MB of memory in use. ENERGY: 3211400 4052.9031 20511.0315 14431.8248 250.6541 -203455.0115 2488.1760 0.0000 0.0000 51984.5774 -109735.8447 298.7561 -161720.4221 -109384.7943 298.8693 99.7733 123.8108 759483.9465 -19.8184 -19.8179 PRESSURE: 3211600 160.628 -108.175 -5.55324 -108.174 123.589 -39.9223 -5.55389 -39.9217 339.007 GPRESSURE: 3211600 141.883 -137.329 28.895 -132.727 192.284 -109.603 98.8142 13.9424 390.816 PRESSAVG: 3211600 39.6346 2.57925 4.94068 2.5793 3.42545 -20.301 4.94068 -20.301 -10.4961 GPRESSAVG: 3211600 42.1471 1.47638 2.34034 3.43043 2.31046 -21.4989 7.98123 -20.4454 -11.4004 TIMING: 3211600 CPU: 10216.4, 0.0031903/step Wall: 10216.4, 0.0031903/step, 1.58487 hours remaining, 239.324219 MB of memory in use. ENERGY: 3211600 3929.4298 20380.9485 14419.1923 241.3879 -203205.0153 2465.7148 0.0000 0.0000 51859.3676 -109908.9743 298.0365 -161768.3420 -109548.6007 299.3443 207.7412 241.6613 760098.5683 10.8547 11.0191 PRESSURE: 3211800 59.0602 -295.279 -24.859 -295.279 -6.36305 78.5518 -24.8595 78.5514 88.8487 GPRESSURE: 3211800 175.819 -270.186 -61.4313 -200.56 7.40464 148.47 -167.521 6.35545 59.5348 PRESSAVG: 3211800 19.3293 20.3077 -11.0444 20.3077 18.218 -40.9517 -11.0444 -40.9516 1.45523 GPRESSAVG: 3211800 17.506 19.9018 -11.7563 21.0051 18.831 -40.8129 -13.4577 -41.0439 2.56398 TIMING: 3211800 CPU: 10217.1, 0.00317415/step Wall: 10217.1, 0.00317415/step, 1.57667 hours remaining, 239.324219 MB of memory in use. ENERGY: 3211800 3938.6265 20480.7981 14455.5807 250.3435 -203258.8991 2439.6242 0.0000 0.0000 51801.2948 -109892.6313 297.7028 -161693.9260 -109538.3081 298.5247 47.1820 80.9195 759556.0801 13.0008 12.9670 PRESSURE: 3212000 -45.625 34.4062 -12.2311 34.4064 -386.325 -190.352 -12.2316 -190.353 -482.073 GPRESSURE: 3212000 -54.3431 5.21406 -28.7055 -1.12011 -287.938 -114.762 38.849 -207.944 -491.209 PRESSAVG: 3212000 3.71386 6.63074 -7.30318 6.63077 -3.52979 7.04787 -7.30313 7.04791 -2.82907 GPRESSAVG: 3212000 3.21702 7.18712 -5.97731 5.62887 -3.10524 6.63124 -7.18541 8.99875 -2.83734 TIMING: 3212000 CPU: 10217.7, 0.00314617/step Wall: 10217.7, 0.00314617/step, 1.5626 hours remaining, 239.324219 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: 3212000 3937.3661 20439.3645 14461.9300 249.4946 -203207.9440 2344.2187 0.0000 0.0000 51971.1045 -109804.4655 298.6787 -161775.5700 -109443.2527 298.4726 -304.6745 -277.8301 762343.6583 -0.8817 -0.9085 PRESSURE: 3212200 -214.11 46.3285 66.612 46.3301 -33.0119 -40.3056 66.6129 -40.3054 -247.44 GPRESSURE: 3212200 -242.557 -78.7108 41.6872 9.41882 108.517 -1.81159 -3.69989 -166.219 -258.152 PRESSAVG: 3212200 -18.5679 -14.8753 12.7663 -14.8753 27.434 -10.3103 12.7663 -10.3103 -12.9307 GPRESSAVG: 3212200 -18.5483 -16.1785 13.1112 -13.3033 28.0505 -9.56525 12.0706 -10.5107 -13.2638 TIMING: 3212200 CPU: 10218.3, 0.00314648/step Wall: 10218.3, 0.00314648/step, 1.56258 hours remaining, 239.324219 MB of memory in use. ENERGY: 3212200 4002.3318 20412.2413 14471.6201 245.6061 -203832.1296 2867.4824 0.0000 0.0000 51941.1532 -109891.6948 298.5065 -161832.8480 -109533.1582 298.4043 -164.8541 -130.7304 761510.7222 -1.3548 -1.2538 LDB: ============= START OF LOAD BALANCING ============== 10230.8 LDB: ============== END OF LOAD BALANCING =============== 10230.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10230.8 LDB: ============= START OF LOAD BALANCING ============== 10231.1 LDB: Largest compute 7070 load 0.035378 is 18.1% of average load 0.195207 LDB: Average compute 0.004427 is 2.3% of average load 0.195207 LDB: TIME 10231.1 LOAD: AVG 0.195207 MAX 0.220482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 10231.1 LOAD: AVG 0.195207 MAX 0.220482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: TIME 10231.1 LOAD: AVG 0.195207 MAX 0.217484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: ============== END OF LOAD BALANCING =============== 10231.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10231.1 PRESSURE: 3212400 174.686 30.4153 -106.157 30.415 16.4392 -21.5759 -106.157 -21.5753 152.067 GPRESSURE: 3212400 293.762 54.8373 -103.887 88.6259 -5.67753 24.3133 -95.1976 -99.7711 141.093 PRESSAVG: 3212400 -43.0293 4.16619 -80.8903 4.16621 19.1732 19.0643 -80.8903 19.0643 9.71682 GPRESSAVG: 3212400 -42.9378 4.66907 -82.4577 3.74867 18.9409 19.8664 -78.9181 17.1682 9.71116 TIMING: 3212400 CPU: 10219, 0.00321081/step Wall: 10219, 0.00321081/step, 1.59435 hours remaining, 240.097656 MB of memory in use. ENERGY: 3212400 3917.8606 20482.2814 14497.1772 247.2652 -203616.8008 2682.9993 0.0000 0.0000 51880.5359 -109908.6813 298.1582 -161789.2171 -109553.3755 298.3978 114.3974 143.0591 760651.2268 -4.7131 -4.7619 PRESSURE: 3212600 -186.976 -85.3735 3.15889 -85.3734 -131.872 113.321 3.15803 113.321 -435.741 GPRESSURE: 3212600 -220.202 -57.0083 103.826 3.98356 -162.701 90.8462 71.062 242.244 -307.933 PRESSAVG: 3212600 52.1502 -19.5649 -11.5272 -19.5649 -18.6135 -1.30074 -11.5272 -1.30076 -3.46626 GPRESSAVG: 3212600 51.0343 -18.452 -9.66052 -19.6799 -19.1793 -1.86061 -11.1768 1.68844 -2.467 TIMING: 3212600 CPU: 10219.6, 0.00314177/step Wall: 10219.6, 0.00314177/step, 1.55989 hours remaining, 240.097656 MB of memory in use. ENERGY: 3212600 3905.9154 20626.9098 14472.3961 244.7843 -203202.8377 2147.0180 0.0000 0.0000 52084.6749 -109721.1391 299.3313 -161805.8140 -109358.7647 298.9314 -251.5295 -230.2782 761864.7843 10.0235 9.7960 PRESSURE: 3212800 -49.8688 -69.896 191.086 -69.896 224.922 -81.8082 191.086 -81.8087 8.28616 GPRESSURE: 3212800 -6.69508 62.1546 204.321 -66.2853 275.443 -4.84726 218.661 -135.073 -0.483682 PRESSAVG: 3212800 1.03326 -9.97031 -7.08015 -9.97032 6.88129 16.7535 -7.08016 16.7535 -18.8428 GPRESSAVG: 3212800 1.41458 -10.2984 -6.1326 -10.4382 8.09747 16.7887 -8.07881 12.9651 -20.1377 TIMING: 3212800 CPU: 10220.2, 0.00317376/step Wall: 10220.2, 0.00317376/step, 1.5756 hours remaining, 240.097656 MB of memory in use. ENERGY: 3212800 3993.9957 20403.6049 14467.7112 237.2938 -203594.7277 2731.4206 0.0000 0.0000 51879.3677 -109881.3337 298.1514 -161760.7014 -109524.1114 298.2467 61.1130 89.4213 760668.4153 -3.6427 -3.5419 PRESSURE: 3213000 -308.819 -133.481 -325.145 -133.48 81.2239 131.192 -325.145 131.193 31.2365 GPRESSURE: 3213000 -312.545 -172.514 -287.348 -13.1075 117.885 131.407 -334.196 105.971 93.7612 PRESSAVG: 3213000 -10.4857 -5.76315 -10.1413 -5.76316 17.8399 35.1231 -10.1412 35.1231 8.43327 GPRESSAVG: 3213000 -10.8557 -5.4781 -12.3545 -5.41844 17.9084 36.1828 -13.2283 38.3666 8.235 TIMING: 3213000 CPU: 10220.9, 0.00316051/step Wall: 10220.9, 0.00316051/step, 1.56884 hours remaining, 240.097656 MB of memory in use. ENERGY: 3213000 4046.0333 20596.0601 14472.4400 258.8719 -203382.6457 2390.8916 0.0000 0.0000 51752.7627 -109865.5861 297.4238 -161618.3488 -109512.4864 298.5891 -65.4527 -33.6329 759949.6389 5.2625 5.0959 PRESSURE: 3213200 220.928 -65.1511 -120.251 -65.1507 180.08 -79.5828 -120.251 -79.583 557.163 GPRESSURE: 3213200 192.681 -135.886 -131.162 -76.4692 270.811 -89.8351 -82.3018 -34.2633 575.857 PRESSAVG: 3213200 -64.6553 6.9996 -36.2168 6.99952 31.1273 33.8234 -36.2168 33.8234 19.4898 GPRESSAVG: 3213200 -65.0752 7.75462 -34.5295 6.78999 30.1351 32.9965 -34.0226 33.7623 20.3062 TIMING: 3213200 CPU: 10221.5, 0.003138/step Wall: 10221.5, 0.003138/step, 1.55749 hours remaining, 240.097656 MB of memory in use. ENERGY: 3213200 3925.6175 20580.0105 14478.4995 257.9089 -203763.8135 2726.8683 0.0000 0.0000 51851.1546 -109943.7542 297.9893 -161794.9089 -109590.3252 298.4549 319.3899 346.4493 759083.9085 -4.6794 -4.8780 PRESSURE: 3213400 -614.524 9.79493 8.43126 9.79419 153.485 -111.382 8.43203 -111.381 -212.165 GPRESSURE: 3213400 -495.909 38.1186 0.834111 41.8853 88.1663 -186.623 -79.0503 -186.441 -188.386 PRESSAVG: 3213400 -52.4628 13.5869 -56.8628 13.5869 30.2485 -9.27494 -56.8628 -9.27497 2.85924 GPRESSAVG: 3213400 -51.0335 12.56 -56.513 14.247 30.0969 -7.59132 -57.3248 -10.8345 1.85445 TIMING: 3213400 CPU: 10222.1, 0.00317909/step Wall: 10222.1, 0.00317909/step, 1.57771 hours remaining, 240.097656 MB of memory in use. ENERGY: 3213400 3988.4091 20372.7917 14440.9181 230.7407 -203437.8173 2470.7434 0.0000 0.0000 51999.7928 -109934.4215 298.8435 -161934.2143 -109569.6557 298.1961 -224.4013 -198.7099 760668.0636 -6.4517 -6.3607 PRESSURE: 3213600 -104.177 -80.0683 -29.1191 -80.0681 -26.7094 -188.306 -29.1199 -188.306 56.8377 GPRESSURE: 3213600 -146.631 -122.673 -17.1415 -121.021 63.6423 -131.999 -68.8699 -192.413 95.6429 PRESSAVG: 3213600 -100.851 -72.0402 -65.1764 -72.0401 105.252 28.7398 -65.1765 28.7397 5.14072 GPRESSAVG: 3213600 -101.047 -73.1205 -67.2343 -71.4636 105.209 27.1011 -64.6864 30.7605 6.289 TIMING: 3213600 CPU: 10222.7, 0.00316272/step Wall: 10222.7, 0.00316272/step, 1.56941 hours remaining, 240.097656 MB of memory in use. ENERGY: 3213600 4042.4255 20499.0266 14368.5326 234.9924 -203503.1349 2446.5232 0.0000 0.0000 52154.5290 -109757.1055 299.7328 -161911.6346 -109393.3833 298.5808 -24.6831 4.2180 760031.6570 3.1809 3.4836 PRESSURE: 3213800 -186.351 156.256 90.6805 156.255 -171.749 -48.6746 90.681 -48.674 -273.841 GPRESSURE: 3213800 -95.8199 110.753 163.049 128.622 -125.605 -55.1036 -6.99962 -109.549 -327.934 PRESSAVG: 3213800 -42.7941 -28.781 17.4097 -28.781 24.224 78.4483 17.4097 78.4483 20.67 GPRESSAVG: 3213800 -42.9752 -28.3785 16.7085 -28.6304 25.215 80.3429 20.2815 78.1017 19.931 TIMING: 3213800 CPU: 10223.4, 0.00314555/step Wall: 10223.4, 0.00314555/step, 1.56072 hours remaining, 240.097656 MB of memory in use. ENERGY: 3213800 4056.2912 20721.2924 14460.3821 247.1379 -203515.0653 2649.3542 0.0000 0.0000 51582.9257 -109797.6818 296.4478 -161380.6075 -109444.7412 298.4563 -210.6472 -183.1196 761696.5302 0.6999 0.7236 PRESSURE: 3214000 -662.215 -86.9074 165.322 -86.907 65.1823 -160.35 165.321 -160.349 -253.861 GPRESSURE: 3214000 -576.778 -55.5347 284.005 -33.3376 -38.3666 -163.275 117.959 -96.2513 -153.463 PRESSAVG: 3214000 -78.2119 -18.7535 4.09406 -18.7535 87.1336 21.5478 4.09413 21.5478 -23.1656 GPRESSAVG: 3214000 -78.2588 -17.818 6.39618 -21.1174 86.0682 20.941 1.24406 22.4064 -21.92 TIMING: 3214000 CPU: 10224, 0.00313948/step Wall: 10224, 0.00313948/step, 1.55753 hours remaining, 240.097656 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: 3214000 4044.5690 20615.0789 14459.0713 266.2507 -203813.5126 2771.4382 0.0000 0.0000 51894.0640 -109763.0406 298.2359 -161657.1046 -109412.5270 298.7099 -283.6313 -256.2027 761361.8778 -4.7480 -4.7036 PRESSURE: 3214200 -585.915 -115.731 108.254 -115.731 -592.466 -2.35256 108.253 -2.35331 -59.3208 GPRESSURE: 3214200 -513.296 -3.18121 188.969 -16.1311 -490.181 -9.48123 228.496 -27.7654 -147.782 PRESSAVG: 3214200 -8.80594 -28.3095 37.3789 -28.3094 15.545 22.334 37.3789 22.334 6.4708 GPRESSAVG: 3214200 -8.34134 -28.2649 37.226 -27.3218 17.352 21.9666 37.3694 19.8349 4.46391 TIMING: 3214200 CPU: 10224.6, 0.00314581/step Wall: 10224.6, 0.00314581/step, 1.5605 hours remaining, 240.097656 MB of memory in use. ENERGY: 3214200 3970.5679 20405.6267 14431.1612 247.3370 -203221.0683 2000.2401 0.0000 0.0000 52123.7150 -110042.4204 299.5557 -162166.1355 -109660.8358 298.2763 -412.5674 -383.7529 761223.1468 4.4033 4.4915 PRESSURE: 3214400 123.862 -118.036 347.157 -118.035 -299.506 54.7648 347.157 54.7649 -33.58 GPRESSURE: 3214400 153.643 4.42561 362.636 -250.141 -331.291 52.0838 277.046 -28.3773 51.1175 PRESSAVG: 3214400 12.8504 -20.1747 8.60809 -20.1746 4.68522 39.081 8.60807 39.0809 18.8595 GPRESSAVG: 3214400 11.8217 -18.0201 7.41121 -20.5686 4.30629 39.4181 8.56267 39.125 20.035 TIMING: 3214400 CPU: 10225.3, 0.00313317/step Wall: 10225.3, 0.00313317/step, 1.55405 hours remaining, 240.097656 MB of memory in use. ENERGY: 3214400 3964.3860 20546.1352 14430.1169 251.8648 -203714.1407 2664.2598 0.0000 0.0000 51623.3103 -110234.0678 296.6799 -161857.3780 -109878.5580 297.5687 -69.7414 -42.1767 759245.3464 12.1317 12.0543 PRESSURE: 3214600 -175.554 100.61 170.831 100.61 -219.413 -44.0345 170.832 -44.035 338.194 GPRESSURE: 3214600 -167.221 32.0752 223.861 40.5133 -123.064 10.7258 193.575 -73.343 319.589 PRESSAVG: 3214600 16.5664 43.2962 -1.68124 43.2962 -6.25104 -23.5644 -1.68118 -23.5644 13.099 GPRESSAVG: 3214600 17.2303 41.5037 -3.1573 44.6057 -6.4349 -23.65 -0.638584 -22.9104 12.6479 TIMING: 3214600 CPU: 10225.9, 0.00312897/step Wall: 10225.9, 0.00312897/step, 1.55179 hours remaining, 240.097656 MB of memory in use. ENERGY: 3214600 3947.8012 20441.5642 14476.0922 249.9225 -203859.5854 2681.7046 0.0000 0.0000 52056.0302 -110006.4705 299.1667 -162062.5007 -109657.4974 297.9332 -18.9243 9.7679 760160.7546 7.8048 7.8144 PRESSURE: 3214800 -448.21 87.3167 369.851 87.3179 -159.084 -15.5231 369.851 -15.5225 -145.879 GPRESSURE: 3214800 -298.615 156.182 437.803 106.167 -263.546 -19.2052 314.075 115.195 -104.221 PRESSAVG: 3214800 31.2109 31.8629 5.76394 31.8629 20.1941 0.640701 5.76391 0.640714 16.7668 GPRESSAVG: 3214800 31.9588 32.4743 7.36954 30.3703 19.067 0.410828 6.25403 -0.974617 16.2293 TIMING: 3214800 CPU: 10226.5, 0.00315036/step Wall: 10226.5, 0.00315036/step, 1.56223 hours remaining, 240.097656 MB of memory in use. ENERGY: 3214800 4016.3245 20498.6655 14456.9959 260.0757 -203566.5977 2436.5574 0.0000 0.0000 51854.5280 -110043.4507 298.0087 -161897.9788 -109668.6239 298.3733 -251.0575 -222.1271 761830.1714 22.7239 22.4184 PRESSURE: 3215000 -134.631 21.4846 -71.3962 21.4837 51.0103 -277.125 -71.3963 -277.124 89.876 GPRESSURE: 3215000 1.5154 -4.31488 -92.7415 29.682 52.6309 -257.749 -24.3021 -212.695 44.1771 PRESSAVG: 3215000 -23.9957 16.0034 33.4498 16.0034 23.5537 -9.01497 33.4498 -9.01502 4.44938 GPRESSAVG: 3215000 -25.6641 16.0033 33.3636 16.5123 24.9884 -9.76653 33.2436 -7.16741 4.95742 TIMING: 3215000 CPU: 10227.1, 0.00316098/step Wall: 10227.1, 0.00316098/step, 1.56732 hours remaining, 240.097656 MB of memory in use. ENERGY: 3215000 4058.2234 20523.7780 14433.0915 253.1249 -203726.6523 2691.9601 0.0000 0.0000 51923.2123 -109843.2621 298.4034 -161766.4745 -109482.1450 298.6812 2.0850 32.7744 759961.3437 1.3358 1.4272 PRESSURE: 3215200 21.1389 125.961 -112.274 125.96 -14.6159 136.901 -112.274 136.9 -320.198 GPRESSURE: 3215200 42.2067 186.805 -31.6615 51.5104 -8.87651 193.308 -62.7671 60.4828 -273.609 PRESSAVG: 3215200 10.9744 -30.7134 -42.4697 -30.7134 -17.1394 -14.5218 -42.4698 -14.5218 7.20091 GPRESSAVG: 3215200 12.6542 -27.6356 -41.0071 -31.5841 -18.9804 -12.6303 -42.6747 -14.9549 6.94024 TIMING: 3215200 CPU: 10227.8, 0.00315147/step Wall: 10227.8, 0.00315147/step, 1.56243 hours remaining, 240.097656 MB of memory in use. ENERGY: 3215200 3982.5543 20394.0807 14432.4402 257.4758 -203588.5396 2623.6772 0.0000 0.0000 52123.8480 -109774.4634 299.5565 -161898.3114 -109407.8091 298.7842 -104.5584 -80.0930 759162.8166 0.3453 0.2047 PRESSURE: 3215400 -442.406 -163.636 225.614 -163.636 -263.016 -134.932 225.614 -134.933 -190.37 GPRESSURE: 3215400 -512.686 -127.984 166.311 -143.483 -197.86 -109.781 224.976 -125.287 -100.302 PRESSAVG: 3215400 -15.9732 43.3393 -12.2922 43.3394 -5.50404 -14.3072 -12.2922 -14.3072 -10.1988 GPRESSAVG: 3215400 -17.8087 39.8418 -13.7652 44.5395 -5.19778 -15.5081 -11.6097 -14.9321 -8.784 TIMING: 3215400 CPU: 10228.4, 0.00318997/step Wall: 10228.4, 0.00318997/step, 1.58134 hours remaining, 240.097656 MB of memory in use. ENERGY: 3215400 3937.7999 20534.1782 14488.2610 237.0137 -202808.1630 2032.4814 0.0000 0.0000 51897.4326 -109680.9962 298.2553 -161578.4287 -109322.4336 299.3676 -298.5973 -270.2826 761579.5305 -10.5587 -10.5968 PRESSURE: 3215600 -7.74661 20.6634 -5.97508 20.6626 -386.312 -273.633 -5.97611 -273.633 155.465 GPRESSURE: 3215600 -46.4048 -0.483225 -36.393 112.246 -255.317 -325.447 -11.3802 -323.801 159.089 PRESSAVG: 3215600 -23.7941 -5.11514 22.7058 -5.11511 42.2452 -14.6019 22.7058 -14.602 6.20837 GPRESSAVG: 3215600 -24.1634 -4.78278 22.9251 -3.62458 44.0139 -14.513 22.0204 -12.4689 4.61012 TIMING: 3215600 CPU: 10229, 0.00315423/step Wall: 10229, 0.00315423/step, 1.56345 hours remaining, 240.097656 MB of memory in use. ENERGY: 3215600 3994.1420 20394.2987 14419.4689 263.3332 -203125.1806 2458.4787 0.0000 0.0000 52029.9447 -109565.5144 299.0168 -161595.4591 -109207.2816 299.1263 -79.5312 -47.5444 759932.6975 8.2198 8.1535 PRESSURE: 3215800 99.4334 20.0609 -235.573 20.0606 132.384 24.2936 -235.574 24.2936 -226.289 GPRESSURE: 3215800 147.973 -8.1141 -209.799 44.1903 104.899 -82.7836 -342.196 33.0932 -164.94 PRESSAVG: 3215800 3.28111 18.48 -14.4334 18.48 15.0345 -5.888 -14.4334 -5.88804 8.73013 GPRESSAVG: 3215800 3.43227 18.7931 -14.2292 16.5629 14.0977 -5.75159 -15.3628 -9.40056 9.2669 TIMING: 3215800 CPU: 10229.7, 0.00313074/step Wall: 10229.7, 0.00313074/step, 1.55163 hours remaining, 240.097656 MB of memory in use. ENERGY: 3215800 3987.0798 20579.9228 14494.7547 263.3042 -203790.2802 2901.6099 0.0000 0.0000 52048.4314 -109515.1774 299.1231 -161563.6088 -109160.0978 299.7538 1.8428 29.3105 761411.2755 9.0153 8.9323 PRESSURE: 3216000 344.013 -87.3091 41.9458 -87.3082 -77.1383 154.156 41.9459 154.156 74.0087 GPRESSURE: 3216000 379.262 -110.292 -13.897 -57.8641 24.7526 59.5603 111.855 39.4799 16.7078 PRESSAVG: 3216000 35.6172 23.5599 -29.9161 23.5599 2.98207 -3.16438 -29.916 -3.16441 -9.14701 GPRESSAVG: 3216000 36.4176 23.791 -31.056 23.9175 3.25318 -3.61673 -29.3294 -2.08439 -10.0217 TIMING: 3216000 CPU: 10230.3, 0.00313647/step Wall: 10230.3, 0.00313647/step, 1.5543 hours remaining, 240.097656 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: 3216000 3973.5795 20530.6482 14472.4835 266.8120 -203420.7779 2777.4997 0.0000 0.0000 52190.1223 -109209.6327 299.9374 -161399.7550 -108852.6094 299.4513 113.6279 140.2407 762278.4144 9.8174 9.8830 PRESSURE: 3216200 -343.487 156.179 -61.8981 156.179 -155.877 -122.176 -61.8984 -122.177 -371.095 GPRESSURE: 3216200 -327.792 221.446 -12.127 119.022 -97.2068 -197.316 -70.0435 84.3785 -354.347 PRESSAVG: 3216200 -17.5259 -7.39721 -32.6238 -7.39715 17.155 -14.3271 -32.6237 -14.3272 -15.0582 GPRESSAVG: 3216200 -18.1198 -8.49993 -31.3459 -7.65126 17.1061 -13.4997 -34.1446 -14.2801 -14.6096 TIMING: 3216200 CPU: 10230.9, 0.00313151/step Wall: 10230.9, 0.00313151/step, 1.55166 hours remaining, 240.097656 MB of memory in use. ENERGY: 3216200 4010.7582 20504.9563 14490.6695 241.5894 -203113.5190 2331.2591 0.0000 0.0000 52109.4903 -109424.7962 299.4740 -161534.2865 -109063.0111 298.9553 -290.1531 -259.7821 763175.0801 -5.1430 -5.2077 LDB: ============= START OF LOAD BALANCING ============== 10243.4 LDB: ============== END OF LOAD BALANCING =============== 10243.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10243.4 LDB: ============= START OF LOAD BALANCING ============== 10243.7 LDB: Largest compute 7070 load 0.035366 is 18.1% of average load 0.195400 LDB: Average compute 0.004390 is 2.2% of average load 0.195400 LDB: TIME 10243.7 LOAD: AVG 0.1954 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 10243.7 LOAD: AVG 0.1954 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 10243.7 LOAD: AVG 0.1954 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 10243.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10243.7 PRESSURE: 3216400 -9.19897 65.9566 -222.958 65.9563 24.2625 156.969 -222.958 156.971 271.797 GPRESSURE: 3216400 -60.2018 53.1362 -317.643 112.172 143.456 178.156 -161.75 228.311 293.944 PRESSAVG: 3216400 0.707487 -39.1906 -28.3937 -39.1906 -11.6901 37.7836 -28.3937 37.7836 3.70168 GPRESSAVG: 3216400 0.573962 -37.6867 -28.4182 -38.5325 -11.2572 37.9635 -26.8858 37.3768 3.26683 TIMING: 3216400 CPU: 10231.6, 0.00320293/step Wall: 10231.6, 0.00320293/step, 1.58687 hours remaining, 241.062500 MB of memory in use. ENERGY: 3216400 3987.9667 20700.9657 14376.9688 252.8843 -203713.3438 2943.4277 0.0000 0.0000 52107.1547 -109343.9760 299.4605 -161451.1307 -108979.5616 298.9421 95.6200 125.7328 761603.5056 -2.4270 -2.4721 PRESSURE: 3216600 -38.6424 -17.4908 -318.846 -17.4899 215.362 -30.6695 -318.846 -30.6688 50.6315 GPRESSURE: 3216600 12.2992 -40.4812 -266.026 -56.3483 239.294 -120.771 -259.262 -60.8149 49.1301 PRESSAVG: 3216600 -6.63986 14.2786 -14.5884 14.2786 -25.3928 -34.4934 -14.5884 -34.4933 -10.1184 GPRESSAVG: 3216600 -6.43875 14.3693 -14.3467 12.7875 -25.3053 -36.228 -13.557 -33.8248 -9.9549 TIMING: 3216600 CPU: 10232.2, 0.00313961/step Wall: 10232.2, 0.00313961/step, 1.55533 hours remaining, 241.062500 MB of memory in use. ENERGY: 3216600 3980.3423 20620.2552 14516.3066 255.6776 -202993.3637 2331.0335 0.0000 0.0000 51772.9344 -109516.8142 297.5398 -161289.7486 -109158.6404 298.8506 75.7836 100.2411 760069.6036 -14.0503 -13.8997 PRESSURE: 3216800 -15.2402 12.7006 53.6441 12.6997 174.441 271.203 53.6439 271.204 -301.407 GPRESSURE: 3216800 65.5769 57.933 49.1463 125.078 179.168 179.042 -136.951 179.916 -311.019 PRESSAVG: 3216800 -2.08676 -28.2847 -2.26806 -28.2847 14.5801 -5.98464 -2.26809 -5.98467 25.0969 GPRESSAVG: 3216800 -2.05725 -27.5958 -0.970938 -28.4765 14.2912 -4.87006 -4.39399 -6.88379 25.2506 TIMING: 3216800 CPU: 10232.8, 0.00315126/step Wall: 10232.8, 0.00315126/step, 1.56092 hours remaining, 241.062500 MB of memory in use. ENERGY: 3216800 3981.4644 20511.9524 14496.7249 245.0014 -203470.9162 2486.4755 0.0000 0.0000 52189.8338 -109559.4637 299.9357 -161749.2975 -109198.7521 299.2417 -47.4022 -22.0912 760756.3454 12.5301 12.4948 PRESSURE: 3217000 -73.7197 -195.382 -201.242 -195.381 189.993 -188.335 -201.243 -188.335 348.967 GPRESSURE: 3217000 20.994 -65.5377 -92.6832 -219.263 218.743 -232.933 -202.288 -165.403 342.511 PRESSAVG: 3217000 11.7855 11.5194 -0.150644 11.5194 15.6521 -65.2699 -0.150584 -65.2699 -15.0706 GPRESSAVG: 3217000 12.3352 13.1752 -0.0465337 10.515 15.9387 -67.1087 0.380986 -63.3305 -15.3957 TIMING: 3217000 CPU: 10233.5, 0.00314423/step Wall: 10233.5, 0.00314423/step, 1.55727 hours remaining, 241.062500 MB of memory in use. ENERGY: 3217000 3934.7877 20484.1800 14492.6086 247.8369 -203429.4236 2652.1494 0.0000 0.0000 52182.5448 -109435.3163 299.8938 -161617.8611 -109069.3247 299.1010 155.0802 194.0827 760155.9113 4.1223 4.2927 PRESSURE: 3217200 -297.14 164.868 -10.1901 164.869 104.446 32.2239 -10.19 32.2242 239.899 GPRESSURE: 3217200 -228.017 81.4948 60.82 138.526 155.032 37.9074 -22.98 12.2542 207.004 PRESSAVG: 3217200 -28.5932 8.47411 -57.2003 8.47418 47.9165 -21.3481 -57.2003 -21.348 -13.2824 GPRESSAVG: 3217200 -29.3081 6.13343 -55.9785 10.896 47.522 -21.9263 -57.6869 -20.4509 -11.9661 TIMING: 3217200 CPU: 10234.1, 0.00314879/step Wall: 10234.1, 0.00314879/step, 1.55935 hours remaining, 241.062500 MB of memory in use. ENERGY: 3217200 4043.6868 20563.9201 14521.8982 238.4202 -203054.0129 2339.2122 0.0000 0.0000 51895.3051 -109451.5705 298.2430 -161346.8755 -109090.6755 299.5117 15.7347 44.6729 761806.8452 2.0136 2.0826 PRESSURE: 3217400 100.852 142.4 -158.112 142.399 103.787 -127.152 -158.111 -127.153 339.813 GPRESSURE: 3217400 77.1171 98.1201 -124.836 93.0959 198.648 -140.438 -188.299 -114.598 363.68 PRESSAVG: 3217400 -0.891667 18.053 -38.312 18.0529 16.0106 0.254799 -38.312 0.254768 -5.2471 GPRESSAVG: 3217400 -0.235334 18.8852 -37.7505 16.5915 15.8161 2.50168 -37.9106 -1.62952 -5.8479 TIMING: 3217400 CPU: 10234.7, 0.00316226/step Wall: 10234.7, 0.00316226/step, 1.56585 hours remaining, 241.062500 MB of memory in use. ENERGY: 3217400 4040.9277 20340.2467 14559.0767 248.3898 -203324.8373 2662.1264 0.0000 0.0000 52067.8159 -109406.2541 299.2345 -161474.0700 -109048.0848 298.7400 181.4840 213.1482 762230.5244 3.2906 3.2443 PRESSURE: 3217600 -164.499 34.4515 -135.535 34.451 28.2481 -85.2382 -135.535 -85.2386 380.66 GPRESSURE: 3217600 -132.529 86.2031 -149.353 181.484 62.5618 -74.9078 -54.0441 -214.529 396.511 PRESSAVG: 3217600 2.09065 -0.714677 -34.0361 -0.714629 -12.4564 -17.9994 -34.0362 -17.9993 -10.1804 GPRESSAVG: 3217600 2.62672 -2.45638 -36.2515 0.240885 -12.9196 -18.5328 -31.937 -16.8035 -10.1338 TIMING: 3217600 CPU: 10235.3, 0.00315107/step Wall: 10235.3, 0.00315107/step, 1.56013 hours remaining, 241.062500 MB of memory in use. ENERGY: 3217600 3936.1486 20555.6603 14430.6899 257.0294 -202679.4686 2167.1962 0.0000 0.0000 52037.6889 -109295.0553 299.0613 -161332.7443 -108936.2318 299.4973 81.4697 108.8478 761423.1551 -6.8487 -6.8089 PRESSURE: 3217800 56.2011 -49.7173 147.756 -49.7175 400.24 9.97284 147.756 9.9726 451.264 GPRESSURE: 3217800 101.081 -37.5724 242.631 5.97055 373.864 20.7037 122.107 40.3577 506.514 PRESSAVG: 3217800 -19.1804 14.0555 -17.9489 14.0555 21.2962 -12.7999 -17.9489 -12.7999 -0.579436 GPRESSAVG: 3217800 -18.7913 13.5616 -16.8445 16.0333 21.6914 -11.7936 -17.0597 -15.7194 -0.968049 TIMING: 3217800 CPU: 10236, 0.00319011/step Wall: 10236, 0.00319011/step, 1.57928 hours remaining, 241.062500 MB of memory in use. ENERGY: 3217800 3952.7346 20672.7305 14462.2463 259.3112 -203330.3677 2677.6878 0.0000 0.0000 52193.7216 -109111.9357 299.9580 -161305.6573 -108753.4036 299.8827 302.5684 327.1528 760578.7887 0.5121 0.6440 PRESSURE: 3218000 -206.407 -29.0467 -129.437 -29.0468 111.374 100.626 -129.437 100.626 -454.635 GPRESSURE: 3218000 -144.15 83.6677 -215.053 -128.229 119.934 54.4797 -183.495 84.5971 -444.901 PRESSAVG: 3218000 -8.28807 1.1184 -27.4591 1.1184 20.3476 18.554 -27.4591 18.5541 1.9132 GPRESSAVG: 3218000 -9.4354 2.68868 -29.3253 -1.48247 21.6049 17.661 -30.5517 21.6808 1.43527 TIMING: 3218000 CPU: 10236.6, 0.00314761/step Wall: 10236.6, 0.00314761/step, 1.55807 hours remaining, 241.062500 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: 3218000 4001.7001 20504.5834 14535.1415 248.0814 -203099.3002 2357.0177 0.0000 0.0000 52362.3741 -109090.4020 300.9273 -161452.7762 -108727.9797 299.7088 -183.2225 -156.3724 760599.7731 4.6576 4.5349 PRESSURE: 3218200 94.4686 9.35895 11.5843 9.35862 -138.994 11.8408 11.5843 11.8407 278.216 GPRESSURE: 3218200 156.884 -89.7143 106.561 9.21249 -108.157 12.1138 15.5267 -33.6434 249.244 PRESSAVG: 3218200 28.4194 -33.8506 -23.7839 -33.8506 -21.9693 -36.7744 -23.7838 -36.7744 9.86486 GPRESSAVG: 3218200 29.5984 -33.9866 -22.8985 -32.8572 -23.4994 -36.2287 -23.4359 -37.4418 10.7404 TIMING: 3218200 CPU: 10237.2, 0.00316206/step Wall: 10237.2, 0.00316206/step, 1.56504 hours remaining, 241.062500 MB of memory in use. ENERGY: 3218200 3976.9422 20577.9999 14500.6393 223.1354 -203085.0589 2275.1756 0.0000 0.0000 52240.4076 -109290.7588 300.2263 -161531.1665 -108921.4431 299.7815 77.8970 99.3239 762048.6563 5.4383 5.6132 PRESSURE: 3218400 105.194 257.038 -193.899 257.038 -170.978 33.0672 -193.897 33.0672 41.6632 GPRESSURE: 3218400 71.3977 219.664 -210.862 235.157 -146.358 93.9951 -147.074 -73.7793 140.895 PRESSAVG: 3218400 21.7142 -4.0998 12.375 -4.09975 14.5026 34.0194 12.375 34.0194 7.31597 GPRESSAVG: 3218400 20.4235 -5.30451 13.1432 -2.52938 15.1892 33.5566 12.2464 32.5981 7.27781 TIMING: 3218400 CPU: 10237.9, 0.00317644/step Wall: 10237.9, 0.00317644/step, 1.57198 hours remaining, 241.062500 MB of memory in use. ENERGY: 3218400 3995.0904 20645.3576 14465.1944 241.1880 -203360.5870 2447.4615 0.0000 0.0000 52174.1403 -109392.1549 299.8455 -161566.2951 -109034.7650 299.3240 -8.0400 21.9783 760982.7170 14.5109 14.2968 PRESSURE: 3218600 -238.644 57.4725 -24.3933 57.4726 122.264 33.0711 -24.3933 33.0714 105.504 GPRESSURE: 3218600 -211.341 -40.2965 -60.4263 92.7744 123.156 39.8742 139.349 45.0314 158.831 PRESSAVG: 3218600 -15.369 -40.4807 -13.9201 -40.4806 11.1575 -7.59908 -13.9201 -7.59907 4.95784 GPRESSAVG: 3218600 -14.5292 -38.2906 -14.9819 -43.2819 11.0384 -7.13417 -11.9296 -8.75291 4.78002 TIMING: 3218600 CPU: 10238.5, 0.00318033/step Wall: 10238.5, 0.00318033/step, 1.57373 hours remaining, 241.062500 MB of memory in use. ENERGY: 3218600 3918.9392 20512.8113 14446.6649 244.1727 -202769.9041 2242.1461 0.0000 0.0000 52240.1515 -109165.0184 300.2249 -161405.1699 -108798.0670 300.2000 -3.6257 23.5485 760565.5188 0.2488 0.4297 PRESSURE: 3218800 264.214 129.838 21.0701 129.837 -27.879 98.5115 21.0696 98.5118 87.909 GPRESSURE: 3218800 198.848 156.841 41.1886 193.058 129.013 95.9004 -130.79 105.877 81.683 PRESSAVG: 3218800 -10.8883 -4.83408 -29.589 -4.83406 -36.2915 10.7731 -29.589 10.7732 10.0688 GPRESSAVG: 3218800 -11.3103 -5.26992 -30.7274 -4.80172 -36.1621 10.7646 -31.461 11.8569 11.0314 TIMING: 3218800 CPU: 10239.2, 0.00319375/step Wall: 10239.2, 0.00319375/step, 1.5802 hours remaining, 241.062500 MB of memory in use. ENERGY: 3218800 4054.1157 20558.5351 14519.8287 240.7581 -203161.6873 2667.7848 0.0000 0.0000 52099.9930 -109020.6719 299.4194 -161120.6648 -108660.1864 300.2957 108.0815 136.5147 761549.4613 -12.3703 -12.1470 PRESSURE: 3219000 -167.435 87.3186 -306.544 87.3188 -53.5745 77.2929 -306.545 77.2933 56.301 GPRESSURE: 3219000 -129.719 73.4135 -228.136 55.64 -53.4388 58.1505 -223.36 33.0862 103.289 PRESSAVG: 3219000 -31.3286 11.4675 -64.9738 11.4674 17.3333 -6.19363 -64.9739 -6.19363 -12.6156 GPRESSAVG: 3219000 -30.812 10.5985 -64.3094 11.8677 18.6258 -6.74195 -63.4741 -5.60451 -13.9928 TIMING: 3219000 CPU: 10239.8, 0.00318539/step Wall: 10239.8, 0.00318539/step, 1.57588 hours remaining, 241.062500 MB of memory in use. ENERGY: 3219000 3956.7370 20629.8250 14528.6391 228.9181 -202666.9843 2235.5805 0.0000 0.0000 52088.0012 -108999.2834 299.3505 -161087.2846 -108630.6508 299.9771 -54.9029 -26.6230 759970.4890 -8.8703 -8.7264 PRESSURE: 3219200 -20.5613 46.3153 -14.402 46.3156 314.591 -275.452 -14.4021 -275.452 -26.2609 GPRESSURE: 3219200 89.3584 67.1707 26.5596 -12.706 261.325 -266.485 -168.12 -212.079 4.48002 PRESSAVG: 3219200 -39.5584 4.46067 4.21676 4.46065 31.4903 -56.0262 4.21678 -56.0262 -4.46275 GPRESSAVG: 3219200 -38.7004 5.3134 3.81811 5.45049 31.0489 -53.2804 3.81649 -56.3537 -4.60997 TIMING: 3219200 CPU: 10240.4, 0.00316586/step Wall: 10240.4, 0.00316586/step, 1.56605 hours remaining, 241.062500 MB of memory in use. ENERGY: 3219200 3988.2368 20423.0706 14483.4608 260.0652 -203007.5247 2428.9001 0.0000 0.0000 52221.3958 -109202.3954 300.1171 -161423.7912 -108834.0926 299.7525 89.2564 118.3877 759065.9506 -4.1770 -4.0872 PRESSURE: 3219400 -246.082 117.388 133.579 117.387 52.7666 -53.0872 133.578 -53.087 -300.91 GPRESSURE: 3219400 -198.895 79.71 185.02 124.842 52.7953 -1.16159 29.3628 -4.54217 -268.838 PRESSAVG: 3219400 4.16294 -46.0933 -92.4163 -46.0933 15.3013 -22.5085 -92.4164 -22.5084 2.27702 GPRESSAVG: 3219400 3.55966 -45.8032 -90.7744 -46.2869 16.998 -24.0577 -93.6507 -23.8459 1.43578 TIMING: 3219400 CPU: 10241.1, 0.00316639/step Wall: 10241.1, 0.00316639/step, 1.56613 hours remaining, 241.062500 MB of memory in use. ENERGY: 3219400 3955.5183 20502.4967 14487.9903 245.8401 -203181.4397 2340.7073 0.0000 0.0000 52272.5182 -109376.3688 300.4109 -161648.8870 -109002.8130 299.6747 -164.7419 -138.3125 758865.8703 7.2471 7.3311 PRESSURE: 3219600 17.0945 -90.7427 -55.0573 -90.7429 79.6489 -121.5 -55.0573 -121.5 -402.677 GPRESSURE: 3219600 131.671 -88.6725 -107.08 -53.2135 10.7384 -190.334 -76.6078 -8.77159 -373.462 PRESSAVG: 3219600 -30.4162 2.58269 -40.8856 2.5827 17.2593 -6.95497 -40.8856 -6.95499 9.2548 GPRESSAVG: 3219600 -30.3281 2.71112 -41.5396 2.12586 16.3291 -6.78988 -41.2389 -6.61151 9.8053 TIMING: 3219600 CPU: 10241.7, 0.00318225/step Wall: 10241.7, 0.00318225/step, 1.5738 hours remaining, 241.062500 MB of memory in use. ENERGY: 3219600 3961.1080 20418.6101 14529.6260 242.2894 -202627.9711 2206.5378 0.0000 0.0000 52150.0051 -109119.7946 299.7068 -161269.7997 -108758.1388 299.3650 -101.9780 -77.0176 761344.4950 -1.3007 -1.3979 PRESSURE: 3219800 -132.291 45.7777 -112.935 45.7775 -76.6507 -59.6809 -112.935 -59.681 -3.92085 GPRESSURE: 3219800 -101.434 -19.3579 -163.109 30.4818 7.25468 -6.17134 -127.366 -81.4089 -28.9878 PRESSAVG: 3219800 8.71722 -22.4699 -33.8106 -22.4698 -35.53 -36.3265 -33.8106 -36.3265 -17.6382 GPRESSAVG: 3219800 9.54707 -24.3024 -35.1259 -20.5512 -36.2765 -35.7689 -32.9746 -36.2122 -17.409 TIMING: 3219800 CPU: 10242.3, 0.00319252/step Wall: 10242.3, 0.00319252/step, 1.5787 hours remaining, 241.062500 MB of memory in use. ENERGY: 3219800 3986.0663 20450.8927 14505.9244 264.5051 -202671.7797 2448.8722 0.0000 0.0000 52043.1780 -108972.3412 299.0929 -161015.5191 -108602.8740 300.0318 -70.9540 -41.0558 762512.7994 -14.8170 -14.7128 PRESSURE: 3220000 -300.667 -221.398 18.5931 -221.398 -517.924 63.1654 18.5934 63.1655 -337.434 GPRESSURE: 3220000 -321.445 -275.051 -33.4008 -127.053 -433.577 29.0576 117.983 170.25 -304.434 PRESSAVG: 3220000 -9.76868 7.80099 -5.4292 7.80099 -0.43247 53.0746 -5.42921 53.0746 -14.8664 GPRESSAVG: 3220000 -10.8384 9.62979 -5.27129 6.38047 -0.0907626 50.7646 -3.56581 54.6467 -13.9779 TIMING: 3220000 CPU: 10243, 0.00318942/step Wall: 10243, 0.00318942/step, 1.57699 hours remaining, 241.062500 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: 3220000 3974.0751 20544.5998 14422.0725 263.9306 -202762.1803 2237.2153 0.0000 0.0000 52305.9306 -109014.3566 300.6029 -161320.2872 -108648.8284 300.0550 -385.3415 -353.1520 762017.9510 -8.3558 -8.3024 PRESSURE: 3220200 13.5032 84.6618 104.195 84.6622 -223.221 -288.606 104.196 -288.607 352.7 GPRESSURE: 3220200 31.5749 11.2949 105.114 117.878 -130.08 -253.51 -39.7001 -278.568 346.494 PRESSAVG: 3220200 20.415 -37.1951 -46.6309 -37.1951 -26.4112 -25.6996 -46.6309 -25.6996 -8.55556 GPRESSAVG: 3220200 21.0069 -36.1392 -46.8188 -37.3388 -25.6535 -25.2916 -48.04 -26.7807 -10.2007 TIMING: 3220200 CPU: 10243.6, 0.00318183/step Wall: 10243.6, 0.00318182/step, 1.57306 hours remaining, 241.062500 MB of memory in use. ENERGY: 3220200 4031.1813 20487.4650 14463.2683 233.7160 -202443.2144 2101.1523 0.0000 0.0000 52171.7712 -108954.6602 299.8319 -161126.4315 -108591.2608 299.7427 47.6609 82.6629 761986.1342 -4.8506 -4.9491 LDB: ============= START OF LOAD BALANCING ============== 10256.1 LDB: ============== END OF LOAD BALANCING =============== 10256.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256.1 LDB: ============= START OF LOAD BALANCING ============== 10256.4 LDB: Largest compute 7059 load 0.034764 is 17.8% of average load 0.195245 LDB: Average compute 0.004414 is 2.3% of average load 0.195245 LDB: TIME 10256.4 LOAD: AVG 0.195245 MAX 0.214932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10256.4 LOAD: AVG 0.195245 MAX 0.214932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 MB LDB: TIME 10256.4 LOAD: AVG 0.195245 MAX 0.214932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 MB LDB: ============== END OF LOAD BALANCING =============== 10256.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256.4 PRESSURE: 3220400 70.5491 -178.769 -38.9314 -178.769 -139.664 -188.104 -38.9314 -188.105 13.815 GPRESSURE: 3220400 71.9883 -20.736 -13.9695 -227.036 -74.2909 -199.708 -107.464 -300.911 29.8241 PRESSAVG: 3220400 55.9365 -62.0599 -6.14906 -62.0599 11.2725 -61.6776 -6.14902 -61.6776 6.60006 GPRESSAVG: 3220400 56.2022 -62.61 -5.3943 -62.027 10.1424 -63.6072 -5.93622 -59.2286 7.81559 TIMING: 3220400 CPU: 10244.3, 0.00323775/step Wall: 10244.3, 0.00323775/step, 1.60053 hours remaining, 240.550781 MB of memory in use. ENERGY: 3220400 4018.1584 20475.7311 14486.0793 216.8525 -203097.8764 2468.0734 0.0000 0.0000 52241.9106 -109191.0711 300.2350 -161432.9816 -108828.1551 300.1274 -18.4335 9.1739 761348.5889 24.6030 24.7201 PRESSURE: 3220600 -78.5321 70.1115 -46.6342 70.1112 -349.103 46.7619 -46.6341 46.762 -13.6579 GPRESSURE: 3220600 -83.4559 -1.25581 4.97977 55.2504 -251.065 -30.2529 -112.383 5.57901 -10.3083 PRESSAVG: 3220600 55.7212 7.83777 -85.746 7.83762 -40.326 19.0723 -85.7459 19.0722 5.30717 GPRESSAVG: 3220600 55.5253 6.821 -86.0471 7.10031 -39.5044 21.5701 -86.7305 16.2189 4.80491 TIMING: 3220600 CPU: 10244.9, 0.00316279/step Wall: 10244.9, 0.00316279/step, 1.5633 hours remaining, 240.753906 MB of memory in use. ENERGY: 3220600 3943.8813 20398.5845 14411.8581 272.4680 -202605.0553 2200.8071 0.0000 0.0000 52106.9888 -109270.4675 299.4596 -161377.4563 -108904.0852 299.4801 -147.0975 -114.9430 760490.0138 6.9008 6.9420 PRESSURE: 3220800 15.9188 -7.44991 59.1564 -7.44896 -161.354 104.588 59.1566 104.587 -123.989 GPRESSURE: 3220800 53.5134 -46.0309 35.0157 -27.1315 -64.9203 26.5892 -15.7784 -83.1009 -183.54 PRESSAVG: 3220800 23.2145 -34.9956 -36.1634 -34.9957 -25.2265 -43.4672 -36.1634 -43.4672 -7.09864 GPRESSAVG: 3220800 24.0464 -35.3399 -35.9948 -34.122 -25.1314 -43.8616 -36.7794 -43.4942 -8.07205 TIMING: 3220800 CPU: 10245.5, 0.00316976/step Wall: 10245.5, 0.00316976/step, 1.56656 hours remaining, 240.753906 MB of memory in use. ENERGY: 3220800 3923.4178 20439.2051 14500.9103 245.9869 -203340.1506 2531.8805 0.0000 0.0000 52180.7660 -109517.9840 299.8836 -161698.7499 -109151.5267 299.3671 -89.8081 -64.9824 760710.2772 -3.0369 -3.0524 PRESSURE: 3221000 15.0024 -85.1497 136.183 -85.1501 -1.39586 -168.418 136.183 -168.417 -36.4092 GPRESSURE: 3221000 -39.9537 -77.1786 45.9292 13.713 65.6327 -67.4784 203.216 -173.657 40.1342 PRESSAVG: 3221000 26.5849 1.9657 -17.9172 1.96572 4.8126 -42.7594 -17.9172 -42.7595 -20.3572 GPRESSAVG: 3221000 25.011 0.62317 -17.2792 2.06499 5.16166 -41.8421 -17.1208 -43.4382 -18.4266 TIMING: 3221000 CPU: 10246.2, 0.00317905/step Wall: 10246.2, 0.00317906/step, 1.57098 hours remaining, 240.753906 MB of memory in use. ENERGY: 3221000 4015.1681 20591.6948 14471.5284 248.5308 -202969.9864 2380.9519 0.0000 0.0000 51896.5456 -109365.5669 298.2502 -161262.1124 -109012.4936 299.1611 -7.6009 21.9377 762987.4198 3.6801 3.9154 PRESSURE: 3221200 -355.186 63.0295 189.564 63.03 -152.975 -169.52 189.564 -169.519 63.0107 GPRESSURE: 3221200 -331.04 127.041 151.97 -1.45889 -49.6692 -113.067 137.674 -171.755 21.4486 PRESSAVG: 3221200 -7.41899 2.72228 -59.5391 2.7222 -21.4845 -15.9127 -59.5391 -15.9127 11.1595 GPRESSAVG: 3221200 -5.35782 2.48925 -59.8177 2.17169 -22.539 -16.3917 -58.4944 -13.6383 10.4304 TIMING: 3221200 CPU: 10246.8, 0.00316605/step Wall: 10246.8, 0.00316605/step, 1.56438 hours remaining, 240.753906 MB of memory in use. ENERGY: 3221200 3980.7955 20472.1503 14461.5507 255.9067 -202568.0528 2162.4441 0.0000 0.0000 51910.3510 -109324.8544 298.3295 -161235.2054 -108962.7661 299.0616 -148.3834 -119.7536 761969.4640 -5.9147 -5.8221 PRESSURE: 3221400 150.944 -144.291 212.214 -144.29 4.24754 114.828 212.215 114.828 -133.978 GPRESSURE: 3221400 119.843 -148.546 211.265 -144.142 91.4861 176.122 223.544 0.520408 -98.9462 PRESSAVG: 3221400 20.7656 -42.9069 16.6555 -42.9069 0.213523 -34.7378 16.6555 -34.7376 12.9162 GPRESSAVG: 3221400 20.1495 -41.9513 16.2309 -42.2571 0.343206 -33.7873 15.4706 -37.477 13.3139 TIMING: 3221400 CPU: 10247.4, 0.00317024/step Wall: 10247.4, 0.00317024/step, 1.56627 hours remaining, 240.753906 MB of memory in use. ENERGY: 3221400 3952.0284 20544.9322 14440.5803 261.4881 -203254.4481 2519.4632 0.0000 0.0000 52110.3417 -109425.6143 299.4788 -161535.9559 -109056.5273 299.2327 7.0710 37.4610 759839.7702 11.2985 11.2689 PRESSURE: 3221600 -9.90032 -89.8857 235.388 -89.8847 52.6782 -193.707 235.387 -193.708 461.814 GPRESSURE: 3221600 -3.45691 -0.21351 206.082 -158.356 204.081 -168.141 172.311 -155.663 391.62 PRESSAVG: 3221600 58.5833 -31.0463 1.98201 -31.0462 -82.3244 -45.3707 1.98194 -45.3707 19.8792 GPRESSAVG: 3221600 57.9589 -29.5471 2.50072 -30.3524 -80.9904 -46.869 3.20373 -44.0001 19.1649 TIMING: 3221600 CPU: 10248.1, 0.00316795/step Wall: 10248.1, 0.00316795/step, 1.56497 hours remaining, 240.753906 MB of memory in use. ENERGY: 3221600 3890.9261 20441.7455 14457.8004 259.1507 -203270.6405 2564.8497 0.0000 0.0000 52207.5896 -109448.5785 300.0377 -161656.1681 -109098.4917 298.9938 168.1974 197.4149 760724.9103 -1.2873 -1.2888 PRESSURE: 3221800 -107.43 8.33705 143.942 8.33752 57.6179 232.853 143.942 232.852 86.0834 GPRESSURE: 3221800 -51.4472 -0.590798 51.6414 -91.4121 122.326 243.013 164.655 50.4769 62.8336 PRESSAVG: 3221800 15.8312 -14.3633 -22.5945 -14.3634 -15.2432 -48.4925 -22.5944 -48.4925 -18.0059 GPRESSAVG: 3221800 15.9702 -14.4497 -23.4975 -17.641 -16.6177 -47.4822 -23.2718 -50.085 -16.5873 TIMING: 3221800 CPU: 10248.7, 0.00318767/step Wall: 10248.7, 0.00318767/step, 1.57453 hours remaining, 240.753906 MB of memory in use. ENERGY: 3221800 3948.6126 20348.2458 14480.2021 249.7026 -203066.0534 2447.3900 0.0000 0.0000 52300.7654 -109291.1349 300.5732 -161591.9003 -108925.0981 299.6484 12.0905 44.5710 760559.1512 -5.8060 -5.7449 PRESSURE: 3222000 -124.214 119.886 162.77 119.887 4.311 64.4851 162.769 64.4848 227.087 GPRESSURE: 3222000 -2.75004 97.736 153.382 80.0543 -10.0597 43.8792 154.251 194.413 219.403 PRESSAVG: 3222000 -0.570472 -64.3078 -0.293104 -64.3078 16.508 -20.026 -0.293103 -20.026 12.4571 GPRESSAVG: 3222000 -0.851405 -64.6196 0.550506 -63.6342 17.4289 -19.5685 -0.881141 -18.8671 12.3347 TIMING: 3222000 CPU: 10249.3, 0.00317597/step Wall: 10249.3, 0.00317597/step, 1.56858 hours remaining, 240.753906 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: 3222000 3937.2028 20492.1918 14461.4541 250.2335 -203291.7307 2488.6506 0.0000 0.0000 52473.2211 -109188.7768 301.5643 -161661.9980 -108819.6483 299.7384 35.7282 68.8646 759695.6530 9.4649 9.6374 PRESSURE: 3222200 -124.165 -69.3778 158.682 -69.378 284.167 295.767 158.682 295.767 160.428 GPRESSURE: 3222200 -46.1325 -82.8536 66.7774 1.72668 184.943 274.972 181.42 215.446 269.406 PRESSAVG: 3222200 17.6138 -50.8986 -19.682 -50.8987 -0.23468 4.2466 -19.682 4.24662 15.9555 GPRESSAVG: 3222200 19.4447 -52.4235 -18.7826 -48.263 -1.60632 1.40144 -18.2307 4.03451 15.1468 TIMING: 3222200 CPU: 10250, 0.00316811/step Wall: 10250, 0.00316811/step, 1.56452 hours remaining, 240.753906 MB of memory in use. ENERGY: 3222200 3976.2678 20450.9100 14453.6457 232.9687 -203141.2051 2610.9116 0.0000 0.0000 52013.3899 -109403.1114 298.9217 -161416.5013 -109048.6434 299.8992 106.8101 136.0721 761701.1208 11.1115 10.9951 PRESSURE: 3222400 -78.181 -34.2835 -104.298 -34.2838 -403.677 -78.7425 -104.297 -78.7432 -21.8307 GPRESSURE: 3222400 -43.2966 63.9831 -107.247 -139.043 -352.017 -25.2248 50.9346 -22.2668 0.936928 PRESSAVG: 3222400 -16.6926 -60.1179 -15.4831 -60.1179 13.5914 -77.3734 -15.4831 -77.3734 -3.56102 GPRESSAVG: 3222400 -18.0645 -60.421 -16.5029 -60.6973 14.9981 -76.0336 -15.6295 -76.5455 -3.82776 TIMING: 3222400 CPU: 10250.6, 0.0031598/step Wall: 10250.6, 0.0031598/step, 1.56024 hours remaining, 240.753906 MB of memory in use. ENERGY: 3222400 3962.6516 20552.9182 14454.3748 239.2657 -203271.1138 2531.1087 0.0000 0.0000 52206.6534 -109324.1415 300.0324 -161530.7948 -108962.0212 299.6746 -167.8962 -131.4588 761020.6976 -2.2207 -2.2980 PRESSURE: 3222600 206.948 -202.629 70.0431 -202.629 528.186 -83.0349 70.0442 -83.0348 109.244 GPRESSURE: 3222600 357.001 -229.031 47.1354 -165.327 481.27 -111.948 61.7077 -48.6461 127.198 PRESSAVG: 3222600 7.39512 -53.712 5.00945 -53.712 8.92849 -10.876 5.00949 -10.876 19.7134 GPRESSAVG: 3222600 6.82689 -52.8142 5.44863 -53.8131 8.58568 -12.4816 5.56082 -9.39482 20.8068 TIMING: 3222600 CPU: 10251.2, 0.003172/step Wall: 10251.2, 0.003172/step, 1.56609 hours remaining, 240.753906 MB of memory in use. ENERGY: 3222600 3994.2823 20458.3518 14494.3562 253.4393 -203600.4513 2999.4020 0.0000 0.0000 52172.0184 -109228.6012 299.8333 -161400.6197 -108874.2512 299.6950 281.4595 321.8232 759497.5612 12.0123 12.0731 PRESSURE: 3222800 -159.94 -302.8 -248.779 -302.799 -142.236 -122.77 -248.779 -122.769 214.443 GPRESSURE: 3222800 -114.124 -291.055 -277.886 -235.951 -178.843 -51.8279 -271.748 -233.445 288.618 PRESSAVG: 3222800 -49.4808 -64.3884 -64.8963 -64.3884 36.0391 -54.4273 -64.8963 -54.4273 -24.9673 GPRESSAVG: 3222800 -49.1204 -62.3758 -65.8203 -66.047 35.5872 -55.4173 -65.2693 -54.2521 -24.7567 TIMING: 3222800 CPU: 10251.9, 0.00317503/step Wall: 10251.9, 0.00317503/step, 1.5674 hours remaining, 240.753906 MB of memory in use. ENERGY: 3222800 4013.1037 20492.1124 14554.1632 246.0485 -203177.1252 2698.2201 0.0000 0.0000 51989.2078 -109184.2694 298.7827 -161173.4772 -108816.9974 299.4921 -29.2439 -1.4498 761280.7339 -12.8030 -12.7633 PRESSURE: 3223000 -294.164 -46.1082 143.477 -46.1078 -310.582 -83.1097 143.477 -83.1089 -669.106 GPRESSURE: 3223000 -272.329 -200.998 117.098 -51.6318 -350.428 -109.588 13.7498 22.963 -558.367 PRESSAVG: 3223000 -0.522669 -66.7239 -24.845 -66.7239 6.00994 -41.8515 -24.8449 -41.8515 -0.181222 GPRESSAVG: 3223000 -0.686903 -67.534 -24.1081 -65.5859 6.7042 -40.7079 -26.3564 -44.9465 -0.696327 TIMING: 3223000 CPU: 10252.5, 0.00316799/step Wall: 10252.5, 0.00316799/step, 1.56375 hours remaining, 240.753906 MB of memory in use. ENERGY: 3223000 4003.7711 20574.2234 14470.2428 245.0044 -202997.7354 2086.3442 0.0000 0.0000 52139.5611 -109478.5885 299.6468 -161618.1496 -109111.4565 299.3385 -424.6171 -393.7080 761566.7969 1.7687 1.7737 PRESSURE: 3223200 442.365 -161.103 2.08185 -161.102 18.919 -167.834 2.08155 -167.835 -97.5556 GPRESSURE: 3223200 410.593 -24.648 -1.29498 -169.359 146.247 -186.084 -116.905 -64.0736 -104.474 PRESSAVG: 3223200 26.9339 25.6653 -48.9262 25.6652 -28.1628 -42.8239 -48.9263 -42.8239 -2.22364 GPRESSAVG: 3223200 27.8609 25.9269 -48.0384 26.2243 -27.7018 -41.9261 -49.6111 -41.1623 -3.69323 TIMING: 3223200 CPU: 10253.1, 0.00314887/step Wall: 10253.1, 0.00314887/step, 1.55414 hours remaining, 240.753906 MB of memory in use. ENERGY: 3223200 3936.6512 20687.1119 14385.1591 233.0027 -202835.9560 2374.0680 0.0000 0.0000 51940.7895 -109279.1736 298.5044 -161219.9631 -108922.3130 299.6191 121.2427 150.7889 760240.1477 -1.1509 -1.1781 PRESSURE: 3223400 93.3056 115.395 -8.15678 115.395 96.3347 213.501 -8.15771 213.501 49.6023 GPRESSURE: 3223400 89.8391 162.508 17.1128 131.167 229.294 206.03 -45.8464 82.1449 -11.7304 PRESSAVG: 3223400 29.925 -30.146 -23.6875 -30.146 2.80548 31.3106 -23.6875 31.3106 20.6953 GPRESSAVG: 3223400 29.0641 -33.6957 -24.0843 -29.8698 3.88249 30.5277 -22.0844 31.8967 20.3793 TIMING: 3223400 CPU: 10253.8, 0.00316538/step Wall: 10253.8, 0.00316538/step, 1.56211 hours remaining, 240.753906 MB of memory in use. ENERGY: 3223400 3944.5285 20615.0248 14432.3235 243.6798 -202772.9771 2074.0361 0.0000 0.0000 52157.9649 -109305.4195 299.7525 -161463.3844 -108934.5619 299.8199 79.7475 102.4676 760388.9150 17.8086 17.7753 PRESSURE: 3223600 -112.787 206.826 -73.385 206.825 -286.522 208.326 -73.3846 208.326 -321.21 GPRESSURE: 3223600 -126.521 214.498 -76.7412 120.722 -263.594 260.92 -75.202 6.42187 -234.03 PRESSAVG: 3223600 -19.3099 -30.0161 -24.3151 -30.0161 27.3165 18.1277 -24.3151 18.1278 -1.03542 GPRESSAVG: 3223600 -18.578 -28.864 -25.8056 -28.7175 25.5112 15.8785 -22.9174 17.4448 0.0519781 TIMING: 3223600 CPU: 10254.4, 0.00317276/step Wall: 10254.4, 0.00317276/step, 1.56558 hours remaining, 240.753906 MB of memory in use. ENERGY: 3223600 4016.3398 20666.0368 14503.2734 256.5931 -203167.4839 2314.6419 0.0000 0.0000 52063.7256 -109346.8733 299.2109 -161410.5989 -108991.1858 299.5452 -240.1731 -208.0482 761860.8021 2.3237 2.3284 PRESSURE: 3223800 -244.311 -197.02 -160.487 -197.02 25.7604 127.559 -160.487 127.559 89.5678 GPRESSURE: 3223800 -302.688 -89.2268 -194.698 -148.506 169.063 153.923 -171.039 97.5763 91.4174 PRESSAVG: 3223800 4.50042 57.5901 -82.893 57.5901 -35.162 -16.6934 -82.893 -16.6934 -13.1712 GPRESSAVG: 3223800 2.71173 58.3758 -82.6617 54.5008 -33.7089 -14.0834 -85.1268 -19.1077 -12.5569 TIMING: 3223800 CPU: 10255, 0.00315636/step Wall: 10255, 0.00315636/step, 1.55731 hours remaining, 240.753906 MB of memory in use. ENERGY: 3223800 3971.5178 20482.2356 14535.4596 226.1413 -203493.9466 2586.9198 0.0000 0.0000 52288.8021 -109402.8703 300.5045 -161691.6725 -109029.5072 299.6630 -42.9941 -14.0692 759523.5573 -14.6109 -14.5180 PRESSURE: 3224000 124.831 178.542 54.7333 178.542 -103.181 -18.6295 54.7327 -18.6295 -172.742 GPRESSURE: 3224000 177.587 83.3831 114.354 165.758 -127.086 -64.1542 -4.7609 64.129 -96.8934 PRESSAVG: 3224000 5.18055 24.0471 -63.509 24.0471 2.84727 7.77587 -63.509 7.77589 -15.4779 GPRESSAVG: 3224000 7.04698 24.937 -62.9513 24.5154 1.20762 6.90629 -64.6627 10.7025 -15.216 TIMING: 3224000 CPU: 10255.7, 0.00317236/step Wall: 10255.7, 0.00317236/step, 1.56503 hours remaining, 240.753906 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: 3224000 3907.5370 20540.6411 14445.3730 261.6808 -203251.2294 2473.0195 0.0000 0.0000 52121.4712 -109501.5069 299.5428 -161622.9782 -109132.9031 299.5959 -50.3640 -15.4639 760751.0817 -2.4834 -2.3205 PRESSURE: 3224200 -549.612 78.6158 111.993 78.6147 -34.2232 113.979 111.993 113.979 -40.1722 GPRESSURE: 3224200 -462.33 116.289 69.016 92.3982 47.2507 56.3118 114.011 22.2111 -107.317 PRESSAVG: 3224200 21.2683 60.8523 -16.5185 60.8522 -65.3509 -31.0229 -16.5185 -31.0228 -13.526 GPRESSAVG: 3224200 20.6579 59.7996 -16.9346 60.6146 -64.1202 -31.596 -14.998 -32.1268 -14.0131 TIMING: 3224200 CPU: 10256.3, 0.00315339/step Wall: 10256.3, 0.00315339/step, 1.5555 hours remaining, 240.753906 MB of memory in use. ENERGY: 3224200 4032.6591 20396.9212 14502.1021 234.5202 -203384.8702 2534.9897 0.0000 0.0000 52092.6378 -109591.0401 299.3771 -161683.6779 -109233.4572 299.1119 -208.0025 -174.1319 760479.0024 -19.2028 -19.1585 LDB: ============= START OF LOAD BALANCING ============== 10268.7 LDB: ============== END OF LOAD BALANCING =============== 10268.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10268.8 LDB: ============= START OF LOAD BALANCING ============== 10269.1 LDB: Largest compute 7031 load 0.034991 is 17.9% of average load 0.195306 LDB: Average compute 0.004393 is 2.2% of average load 0.195306 LDB: TIME 10269.1 LOAD: AVG 0.195306 MAX 0.21424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10269.1 LOAD: AVG 0.195306 MAX 0.21424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 10269.1 LOAD: AVG 0.195306 MAX 0.21424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 10269.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10269.1 PRESSURE: 3224400 -55.8613 65.6839 8.55976 65.684 -21.4625 -91.8598 8.55989 -91.8596 232.928 GPRESSURE: 3224400 -61.8164 12.845 42.5195 -13.1967 53.8437 -91.1582 -47.6743 -17.3486 251.483 PRESSAVG: 3224400 -37.3823 -28.8917 7.93519 -28.8917 29.3062 -55.1153 7.93517 -55.1152 -12.5831 GPRESSAVG: 3224400 -38.4134 -27.7643 7.77054 -28.8124 29.5744 -54.284 8.72953 -54.7357 -12.3103 TIMING: 3224400 CPU: 10256.9, 0.00324173/step Wall: 10256.9, 0.00324173/step, 1.59889 hours remaining, 240.605469 MB of memory in use. ENERGY: 3224400 3900.1493 20460.7724 14438.8415 264.6939 -203304.2613 2500.2591 0.0000 0.0000 51950.6644 -109788.8807 298.5612 -161739.5451 -109421.2257 298.4872 51.8680 81.1702 759776.4333 -6.8864 -7.0498 PRESSURE: 3224600 191.406 104.4 2.62232 104.4 106.663 -79.3042 2.6226 -79.3036 47.9178 GPRESSURE: 3224600 232.486 85.1606 -66.1696 113.796 37.4325 -127.941 -43.5052 -120.642 167.566 PRESSAVG: 3224600 -26.1929 34.2233 -31.8889 34.2233 88.0526 -37.0755 -31.8889 -37.0755 -0.550675 GPRESSAVG: 3224600 -26.0872 32.5999 -31.1383 38.3668 87.4075 -36.97 -33.8738 -37.4473 0.0178459 TIMING: 3224600 CPU: 10257.6, 0.00316949/step Wall: 10257.6, 0.00316949/step, 1.56309 hours remaining, 240.808594 MB of memory in use. ENERGY: 3224600 4053.1203 20482.0104 14485.1329 242.5867 -203552.3193 2791.6177 0.0000 0.0000 51889.5431 -109608.3082 298.2099 -161497.8513 -109256.6543 298.8529 115.3290 145.8280 760524.2006 20.4364 20.4461 PRESSURE: 3224800 166.8 -158.307 -111.417 -158.308 -4.47568 91.8152 -111.417 91.8146 52.3761 GPRESSURE: 3224800 202.316 -126.183 -204.615 -114.937 -42.9357 115.408 46.8639 151.527 136.011 PRESSAVG: 3224800 -22.892 3.9424 15.8741 3.94249 21.9427 17.9632 15.8741 17.9632 29.8569 GPRESSAVG: 3224800 -23.3787 4.78431 14.6502 1.63016 21.3784 18.7515 16.7869 17.7672 31.0043 TIMING: 3224800 CPU: 10258.2, 0.0031452/step Wall: 10258.2, 0.0031452/step, 1.55093 hours remaining, 240.808594 MB of memory in use. ENERGY: 3224800 4064.3508 20323.8964 14518.1433 243.1345 -203674.1253 2718.4653 0.0000 0.0000 52259.6958 -109546.4392 300.3372 -161806.1350 -109182.2328 298.7916 71.5668 98.4636 759584.2474 9.6359 9.6680 PRESSURE: 3225000 41.176 -24.6326 -59.2309 -24.6322 -287.911 42.3282 -59.2305 42.3274 493.494 GPRESSURE: 3225000 66.8685 -92.9374 -11.8614 -61.0631 -154.974 40.9576 -59.7365 21.5445 418.213 PRESSAVG: 3225000 -18.1034 -18.5814 42.422 -18.5814 10.331 27.8503 42.4219 27.8503 -10.4608 GPRESSAVG: 3225000 -16.0529 -18.1042 44.2529 -18.4711 10.3922 26.4633 43.4577 29.7562 -12.6681 TIMING: 3225000 CPU: 10258.8, 0.00312709/step Wall: 10258.8, 0.00312709/step, 1.54183 hours remaining, 240.808594 MB of memory in use. ENERGY: 3225000 3965.8392 20504.3398 14422.3530 255.9825 -203323.7296 2584.7861 0.0000 0.0000 51913.0482 -109677.3808 298.3450 -161590.4290 -109320.8972 298.7311 82.2532 110.0359 761168.1914 -6.0777 -6.1096 PRESSURE: 3225200 -179.003 -8.05203 112.173 -8.05205 -44.5843 -178.351 112.173 -178.35 -172.106 GPRESSURE: 3225200 -203.787 -11.276 87.523 32.3722 -6.71535 -173.518 302.265 -156.576 -120.254 PRESSAVG: 3225200 -39.8203 18.7083 74.833 18.7083 55.1973 6.74639 74.833 6.74632 -0.269881 GPRESSAVG: 3225200 -41.2531 18.5265 72.9645 18.2954 55.6512 5.72254 75.4755 6.30245 0.687532 TIMING: 3225200 CPU: 10259.5, 0.00314858/step Wall: 10259.5, 0.00314858/step, 1.55225 hours remaining, 240.808594 MB of memory in use. ENERGY: 3225200 3917.4421 20610.6652 14490.1432 253.4527 -203328.6825 2393.2116 0.0000 0.0000 51857.9581 -109805.8097 298.0284 -161663.7678 -109439.5493 298.2168 -131.8978 -110.2521 761170.4539 5.0357 5.0285 PRESSURE: 3225400 -177.437 -39.6136 222.193 -39.6138 -137.2 68.6192 222.193 68.6195 -14.535 GPRESSURE: 3225400 -164.282 44.9997 192 -68.1874 -17.2235 19.831 89.9731 100.716 -53.66 PRESSAVG: 3225400 -23.9709 -66.4225 13.6674 -66.4226 1.59196 -58.4995 13.6675 -58.4994 -12.1018 GPRESSAVG: 3225400 -24.307 -67.5184 13.2205 -66.7976 1.91426 -56.9239 12.0368 -61.08 -11.6016 TIMING: 3225400 CPU: 10260.1, 0.00313894/step Wall: 10260.1, 0.00313894/step, 1.54732 hours remaining, 240.808594 MB of memory in use. ENERGY: 3225400 4093.6326 20619.9176 14443.4850 247.2808 -203273.3108 2468.0432 0.0000 0.0000 51743.2642 -109657.6875 297.3693 -161400.9517 -109301.9841 298.7282 -109.7240 -78.3885 759948.5999 -11.4936 -11.3314 PRESSURE: 3225600 -14.38 -4.48683 -323.989 -4.48645 81.308 86.55 -323.99 86.5491 -152.896 GPRESSURE: 3225600 42.7751 -112.066 -328.322 -10.9394 141.139 47.0081 -209.388 110.624 -185.224 PRESSAVG: 3225600 22.0088 -26.2599 -55.7957 -26.2598 -1.6845 1.33318 -55.7957 1.33319 -0.233497 GPRESSAVG: 3225600 23.4179 -24.4388 -54.1285 -25.0803 -2.59595 0.877787 -57.1858 2.33349 -0.739777 TIMING: 3225600 CPU: 10260.7, 0.00314265/step Wall: 10260.7, 0.00314264/step, 1.54897 hours remaining, 240.808594 MB of memory in use. ENERGY: 3225600 3979.0556 20300.5559 14483.9943 235.9827 -203319.4114 2381.5916 0.0000 0.0000 52281.2566 -109656.9748 300.4611 -161938.2314 -109280.0739 299.3199 -28.6561 -0.4365 759765.1470 6.6969 6.6941 PRESSURE: 3225800 45.7777 -65.805 -255.415 -65.805 205.105 206.091 -255.416 206.091 332.605 GPRESSURE: 3225800 118.896 28.7932 -191.935 -79.8979 173.716 140.421 -228.32 199.446 370.604 PRESSAVG: 3225800 -42.1406 -3.87887 -16.1604 -3.87885 34.5813 5.17538 -16.1604 5.17535 -4.03338 GPRESSAVG: 3225800 -43.3869 -4.5057 -16.7371 -5.32061 35.6939 4.15783 -14.9243 6.97584 -4.34943 TIMING: 3225800 CPU: 10261.3, 0.00314986/step Wall: 10261.3, 0.00314986/step, 1.55236 hours remaining, 240.808594 MB of memory in use. ENERGY: 3225800 3926.1643 20674.5398 14565.3624 274.1288 -203490.5753 2585.1097 0.0000 0.0000 52061.5426 -109403.7276 299.1984 -161465.2703 -109040.2259 299.3348 194.4959 221.0720 759723.5486 -3.8642 -4.0142 PRESSURE: 3226000 -231.092 65.612 62.7805 65.6124 -332.528 -219.35 62.7799 -219.35 -166.996 GPRESSURE: 3226000 -214.913 65.7921 10.7692 99.7016 -215.159 -126.608 177.494 -153.838 -192.136 PRESSAVG: 3226000 -41.8604 -50.4001 -56.7583 -50.4002 76.7456 -28.0664 -56.7583 -28.0664 4.97939 GPRESSAVG: 3226000 -41.1429 -51.0285 -56.2242 -49.9188 75.7589 -25.6497 -58.104 -29.279 5.47954 TIMING: 3226000 CPU: 10262, 0.00316228/step Wall: 10262, 0.00316228/step, 1.5583 hours remaining, 240.808594 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: 3226000 4002.2994 20556.4360 14477.3394 250.3502 -203081.6262 2403.9210 0.0000 0.0000 52064.4034 -109326.8768 299.2148 -161391.2802 -108960.3831 299.6613 -243.5383 -207.4028 762194.9941 13.2882 13.3652 PRESSURE: 3226200 115.86 85.1559 -362.152 85.1559 -54.4628 43.7675 -362.152 43.7676 149.586 GPRESSURE: 3226200 161.255 129.354 -308.728 169.276 -70.3947 17.8265 -218.175 7.9841 214.951 PRESSAVG: 3226200 3.62786 -10.1136 -35.4608 -10.1136 -17.6731 21.008 -35.4608 21.0079 7.98277 GPRESSAVG: 3226200 3.25363 -9.24267 -35.6613 -9.43724 -16.68 19.1428 -34.2528 20.7696 6.98932 TIMING: 3226200 CPU: 10262.6, 0.00318787/step Wall: 10262.6, 0.00318787/step, 1.57073 hours remaining, 240.808594 MB of memory in use. ENERGY: 3226200 3956.0917 20470.9038 14502.8424 243.0113 -203471.3746 2620.8634 0.0000 0.0000 52332.6830 -109344.9789 300.7566 -161677.6619 -108978.1948 299.6360 70.3275 101.9369 762518.6051 -2.0208 -2.1457 PRESSURE: 3226400 -282.947 74.2302 258.396 74.2299 -206.907 131.283 258.396 131.282 -8.25911 GPRESSURE: 3226400 -359.118 41.294 278.016 34.6003 -26.8718 67.3382 248.487 112.299 -43.39 PRESSAVG: 3226400 -54.1097 -20.1899 -18.9205 -20.1899 30.1607 -8.4515 -18.9205 -8.45151 18.4264 GPRESSAVG: 3226400 -54.4091 -20.3775 -19.2171 -20.6692 31.0757 -8.12104 -18.7855 -7.68611 18.0766 TIMING: 3226400 CPU: 10263.3, 0.00316494/step Wall: 10263.3, 0.00316494/step, 1.55926 hours remaining, 240.808594 MB of memory in use. ENERGY: 3226400 4055.8365 20604.9688 14434.5714 247.2703 -203133.9237 2262.5724 0.0000 0.0000 52197.7883 -109330.9160 299.9814 -161528.7043 -108973.5916 299.8780 -166.0378 -143.1267 762341.1227 -1.8409 -1.7523 PRESSURE: 3226600 -199.65 -73.6901 64.8638 -73.691 323.144 -331.879 64.8639 -331.879 -92.5054 GPRESSURE: 3226600 -155.927 -33.0033 96.6269 -168.231 325.336 -306.161 -0.813834 -191.255 -52.1243 PRESSAVG: 3226600 -18.0809 22.272 -36.7227 22.272 29.6057 -5.66083 -36.7227 -5.66087 -32.5299 GPRESSAVG: 3226600 -17.3484 22.4148 -34.9807 21.0449 28.6279 -5.42658 -37.0768 -5.78632 -32.8902 TIMING: 3226600 CPU: 10263.9, 0.00318109/step Wall: 10263.9, 0.00318109/step, 1.56704 hours remaining, 240.808594 MB of memory in use. ENERGY: 3226600 3991.9300 20616.0259 14386.1114 240.8323 -203579.1707 2607.8585 0.0000 0.0000 52135.7262 -109600.6864 299.6247 -161736.4126 -109236.3536 299.1770 10.3295 39.0950 760553.5188 -7.0017 -7.2036 PRESSURE: 3226800 132.178 -32.8216 270.706 -32.8217 -64.0386 -69.498 270.705 -69.4979 258.416 GPRESSURE: 3226800 166.194 70.5369 216.716 26.3135 -84.4403 -88.0283 190.001 -34.6394 320.812 PRESSAVG: 3226800 -22.6339 46.7193 -4.59759 46.7193 26.2407 -23.84 -4.59759 -23.84 -12.263 GPRESSAVG: 3226800 -24.6942 46.6369 -7.05138 48.2255 26.8795 -25.8381 -5.41226 -24.1411 -10.6724 TIMING: 3226800 CPU: 10264.5, 0.00315075/step Wall: 10264.5, 0.00315075/step, 1.55192 hours remaining, 240.808594 MB of memory in use. ENERGY: 3226800 3998.2095 20689.7962 14451.9029 241.4195 -203648.9602 2643.0023 0.0000 0.0000 52037.9327 -109586.6970 299.0627 -161624.6298 -109223.6674 299.6731 108.8519 134.1889 760018.7162 -2.8854 -2.8290 PRESSURE: 3227000 196.649 151.693 29.8112 151.693 278.716 201.023 29.811 201.023 168.799 GPRESSURE: 3227000 316.751 82.7343 60.7564 37.3112 283.988 203.219 -27.9445 186.248 108.083 PRESSAVG: 3227000 -25.1865 29.1543 -3.80295 29.1543 28.2953 16.6293 -3.80294 16.6292 -18.6805 GPRESSAVG: 3227000 -23.952 30.711 -1.74382 27.997 27.2121 19.8255 -4.33226 18.2969 -19.0844 TIMING: 3227000 CPU: 10265.1, 0.00315636/step Wall: 10265.1, 0.00315636/step, 1.55451 hours remaining, 240.808594 MB of memory in use. ENERGY: 3227000 3938.9536 20647.3634 14430.7708 230.9805 -204063.0374 2954.0744 0.0000 0.0000 52239.6024 -109621.2923 300.2217 -161860.8947 -109255.5565 299.1512 214.7213 236.2740 760675.9330 -5.1906 -5.2748 PRESSURE: 3227200 256.155 -117.391 3.91227 -117.391 -226.147 75.6037 3.91303 75.6046 320.503 GPRESSURE: 3227200 198.647 -173.905 -26.2318 -139.801 -51.4651 117.113 80.8896 -2.53049 299.509 PRESSAVG: 3227200 -9.11205 -6.47107 -16.7705 -6.47103 -13.0278 -8.80793 -16.7705 -8.80789 -4.35568 GPRESSAVG: 3227200 -9.20945 -7.27372 -17.4337 -5.0318 -12.8015 -10.2659 -16.8142 -8.83984 -4.80427 TIMING: 3227200 CPU: 10265.8, 0.00313339/step Wall: 10265.8, 0.00313339/step, 1.54302 hours remaining, 240.808594 MB of memory in use. ENERGY: 3227200 3940.3294 20540.1468 14498.4471 266.2093 -203805.8901 2611.8036 0.0000 0.0000 52249.6423 -109699.3117 300.2794 -161948.9540 -109329.5759 298.8677 116.8370 148.8968 759783.6976 -8.8318 -8.9384 PRESSURE: 3227400 -45.5543 159.073 -8.24368 159.073 -177.534 -32.8943 -8.24375 -32.8939 22.1262 GPRESSURE: 3227400 -61.6542 198.407 64.2553 80.2886 -22.5089 -50.6108 -109.823 -85.6734 -18.5255 PRESSAVG: 3227400 45.1315 -10.9318 -13.6457 -10.9318 -26.1033 17.0884 -13.6457 17.0884 -3.15588 GPRESSAVG: 3227400 44.8561 -11.1474 -14.5946 -11.087 -25.6719 18.2823 -13.0447 15.6939 -3.66992 TIMING: 3227400 CPU: 10266.4, 0.00313975/step Wall: 10266.4, 0.00313975/step, 1.54598 hours remaining, 240.808594 MB of memory in use. ENERGY: 3227400 3993.5991 20650.5033 14534.9141 262.9154 -203525.4506 2531.6799 0.0000 0.0000 51926.1373 -109625.7016 298.4202 -161551.8389 -109264.1303 299.1755 -66.9875 -34.2295 760974.8419 5.2908 5.1714 PRESSURE: 3227600 -239.556 -213.358 -268.14 -213.358 138.277 17.4868 -268.14 17.4875 231.131 GPRESSURE: 3227600 -143.228 -117.804 -253.612 -101.617 77.2583 -51.194 -214.471 -120.292 266.723 PRESSAVG: 3227600 8.50572 -19.6935 -45.1882 -19.6935 -8.95172 24.0992 -45.1882 24.0991 15.8693 GPRESSAVG: 3227600 8.83907 -18.7257 -45.8603 -18.8816 -10.8904 22.5327 -42.2348 23.8395 16.7848 TIMING: 3227600 CPU: 10267, 0.00315499/step Wall: 10267, 0.00315499/step, 1.55331 hours remaining, 240.808594 MB of memory in use. ENERGY: 3227600 4068.1131 20725.7252 14470.7321 241.7426 -203426.4725 2390.2886 0.0000 0.0000 51880.6726 -109649.1983 298.1589 -161529.8709 -109289.2572 298.9962 43.2839 66.9180 761394.2564 5.1411 4.9112 PRESSURE: 3227800 -119.93 4.66954 278.602 4.66823 73.6288 -13.624 278.603 -13.623 -502.386 GPRESSURE: 3227800 -86.0653 166.749 171.253 -60.58 91.2924 -36.6767 202.944 -51.2665 -455.683 PRESSAVG: 3227800 -5.85461 3.77751 -36.0531 3.77748 28.3205 6.34936 -36.0531 6.34939 -13.3987 GPRESSAVG: 3227800 -5.57531 2.42234 -35.8985 4.81707 28.5774 3.92019 -37.8906 6.59823 -14.4322 TIMING: 3227800 CPU: 10267.7, 0.00316002/step Wall: 10267.7, 0.00316002/step, 1.55561 hours remaining, 240.808594 MB of memory in use. ENERGY: 3227800 4031.1366 20669.6620 14426.9059 245.7381 -204009.8262 2655.4911 0.0000 0.0000 52336.2996 -109644.5928 300.7774 -161980.8924 -109272.6320 299.1212 -182.8955 -150.1519 761640.3701 3.0224 2.8566 PRESSURE: 3228000 -466.326 51.3754 127.344 51.3753 -316.797 -5.12464 127.343 -5.12565 80.5048 GPRESSURE: 3228000 -499.58 -5.92933 156.313 59.9669 -215.573 15.3373 57.2187 25.5151 106.502 PRESSAVG: 3228000 -47.0848 -10.0617 -6.17327 -10.0617 13.7225 23.1418 -6.17334 23.1418 2.69142 GPRESSAVG: 3228000 -48.0769 -9.76177 -5.32897 -11.7748 14.5788 26.9036 -7.05638 23.6936 3.27444 TIMING: 3228000 CPU: 10268.3, 0.00316479/step Wall: 10268.3, 0.00316479/step, 1.55778 hours remaining, 240.808594 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: 3228000 3916.6210 20565.6508 14520.0234 251.0211 -203285.0877 2359.8414 0.0000 0.0000 51934.9349 -109736.9951 298.4708 -161671.9300 -109366.2376 299.1262 -234.2060 -202.8833 760867.1579 -10.2236 -10.0746 PRESSURE: 3228200 -91.808 -56.0859 -230.321 -56.0849 -175.224 -17.5429 -230.321 -17.5428 -14.1292 GPRESSURE: 3228200 -132.646 21.764 -246.537 -144.179 -80.7356 -68.3697 -195.373 80.8422 4.67459 PRESSAVG: 3228200 49.1199 -42.4918 -32.4767 -42.4918 -7.00376 10.1057 -32.4767 10.1057 14.9649 GPRESSAVG: 3228200 48.3036 -40.5337 -32.1433 -43.5276 -6.22806 9.30673 -33.4323 9.84589 15.0393 TIMING: 3228200 CPU: 10268.9, 0.00314717/step Wall: 10268.9, 0.00314717/step, 1.54893 hours remaining, 240.808594 MB of memory in use. ENERGY: 3228200 4009.4882 20636.4385 14472.8484 233.0919 -203759.6362 2529.8802 0.0000 0.0000 51929.9911 -109947.8978 298.4424 -161877.8890 -109596.7965 298.5372 -93.7205 -69.5690 761707.1730 19.0270 19.0383 LDB: ============= START OF LOAD BALANCING ============== 10281.4 LDB: ============== END OF LOAD BALANCING =============== 10281.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10281.4 LDB: ============= START OF LOAD BALANCING ============== 10281.7 LDB: Largest compute 7070 load 0.036835 is 18.9% of average load 0.195258 LDB: Average compute 0.004415 is 2.3% of average load 0.195258 LDB: TIME 10281.7 LOAD: AVG 0.195258 MAX 0.211932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 10281.7 LOAD: AVG 0.195258 MAX 0.211932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 10281.7 LOAD: AVG 0.195258 MAX 0.211932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 10281.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10281.7 PRESSURE: 3228400 93.8197 70.424 -177.849 70.4227 -291.333 67.1293 -177.851 67.1285 192.047 GPRESSURE: 3228400 115.296 23.1628 -158.808 125.961 -178.463 123.815 -184.955 -2.87364 144.316 PRESSAVG: 3228400 -7.36127 -23.858 4.71834 -23.858 10.1515 46.7588 4.71836 46.7588 -4.98467 GPRESSAVG: 3228400 -6.99889 -26.3696 3.94662 -22.955 9.4772 46.6024 5.4197 46.7305 -4.22528 TIMING: 3228400 CPU: 10269.6, 0.0032116/step Wall: 10269.6, 0.0032116/step, 1.58046 hours remaining, 241.636719 MB of memory in use. ENERGY: 3228400 3978.1989 20422.8826 14492.3964 250.7437 -203888.5024 2720.1484 0.0000 0.0000 52068.7004 -109955.4320 299.2395 -162024.1324 -109587.1898 298.4138 -1.8222 27.0495 759609.7187 -0.7315 -0.5823 PRESSURE: 3228600 -110.746 50.6933 37.6343 50.6939 -309.941 -217.868 37.6342 -217.868 -206.908 GPRESSURE: 3228600 -57.8809 86.7417 79.977 102.798 -316.645 -214.953 31.8586 -137.049 -160.879 PRESSAVG: 3228600 -67.7447 -21.9142 -34.5105 -21.9141 94.3006 31.5849 -34.5105 31.5849 -4.49394 GPRESSAVG: 3228600 -66.3981 -20.5585 -33.3713 -22.3919 94.3406 30.9883 -35.1438 32.2082 -5.24569 TIMING: 3228600 CPU: 10270.2, 0.00315756/step Wall: 10270.2, 0.00315756/step, 1.55369 hours remaining, 241.707031 MB of memory in use. ENERGY: 3228600 3964.6585 20444.3668 14466.9629 236.6074 -203193.1450 2316.7401 0.0000 0.0000 51896.3092 -109867.5000 298.2488 -161763.8092 -109491.8031 297.9773 -209.1983 -178.4683 761371.9571 7.3540 7.5656 PRESSURE: 3228800 -295.259 -167.373 -66.8306 -167.374 146.526 95.4118 -66.831 95.4123 37.0174 GPRESSURE: 3228800 -218.214 -253.542 -123.797 -287.003 187.18 133.53 -96.3346 -15.9275 -19.6897 PRESSAVG: 3228800 -87.1448 -50.278 9.09448 -50.278 76.9607 16.0095 9.09443 16.0094 -0.449098 GPRESSAVG: 3228800 -85.8306 -49.7996 7.75953 -50.2784 76.8344 16.2804 8.43892 15.5271 -0.861248 TIMING: 3228800 CPU: 10270.8, 0.00315202/step Wall: 10270.8, 0.00315202/step, 1.55079 hours remaining, 241.707031 MB of memory in use. ENERGY: 3228800 3940.3657 20557.0258 14496.1076 240.5613 -203403.3632 2445.9044 0.0000 0.0000 51821.7397 -109901.6588 297.8203 -161723.3985 -109532.9655 298.4647 -37.2383 -16.9078 758838.1884 -3.5444 -3.2858 PRESSURE: 3229000 -52.0026 -159.86 -151.753 -159.861 153.552 119.72 -151.753 119.721 -237.707 GPRESSURE: 3229000 26.3196 -108.766 -166.756 -254.159 88.4391 142.519 18.9185 -59.5351 -180.503 PRESSAVG: 3229000 20.3012 -67.5544 2.02731 -67.5544 -32.5031 -72.7952 2.02726 -72.7953 -9.45376 GPRESSAVG: 3229000 18.8048 -67.8767 2.828 -68.246 -30.8232 -71.9047 3.90237 -73.221 -9.5561 TIMING: 3229000 CPU: 10271.5, 0.00315172/step Wall: 10271.5, 0.00315172/step, 1.55047 hours remaining, 241.707031 MB of memory in use. ENERGY: 3229000 3958.2972 20503.8649 14512.8413 245.0662 -203634.5625 2765.7958 0.0000 0.0000 52084.0867 -109564.6103 299.3280 -161648.6970 -109212.0791 298.9217 -45.3859 -21.9147 759735.4589 -7.2186 -7.1915 PRESSURE: 3229200 -84.2274 162.48 132.766 162.48 -148.646 -145.275 132.766 -145.275 143.726 GPRESSURE: 3229200 -124.091 227.575 95.8755 53.2907 -29.7562 -157.182 26.9883 -116.01 144.243 PRESSAVG: 3229200 1.1608 0.166431 -53.2876 0.166426 -18.2022 -29.4949 -53.2876 -29.495 4.74541 GPRESSAVG: 3229200 1.88315 0.758004 -53.2107 2.09978 -18.2322 -29.7647 -53.5185 -27.1628 3.647 TIMING: 3229200 CPU: 10272.1, 0.00314641/step Wall: 10272.1, 0.00314641/step, 1.54769 hours remaining, 241.707031 MB of memory in use. ENERGY: 3229200 4016.5465 20316.9881 14503.3885 242.5636 -203398.8614 2535.4432 0.0000 0.0000 52089.8849 -109694.0466 299.3613 -161783.9315 -109318.8842 299.3978 -29.7157 -3.2012 760829.7174 -4.0987 -4.2340 PRESSURE: 3229400 -181.042 -319.959 -411.311 -319.96 13.6568 -99.5994 -411.312 -99.602 279.535 GPRESSURE: 3229400 -165.997 -296.337 -368.461 -211.247 61.9957 -88.9908 -429.279 -23.1642 292.505 PRESSAVG: 3229400 18.0896 -24.6539 -24.7824 -24.6538 -54.5385 -44.1181 -24.7824 -44.1182 9.03248 GPRESSAVG: 3229400 18.3077 -27.038 -24.5994 -24.7044 -55.8547 -43.9743 -27.2988 -44.6379 10.5911 TIMING: 3229400 CPU: 10272.7, 0.00314791/step Wall: 10272.7, 0.00314791/step, 1.54825 hours remaining, 241.707031 MB of memory in use. ENERGY: 3229400 3896.8406 20503.9197 14499.4951 244.2535 -203541.9985 2753.4993 0.0000 0.0000 51890.8295 -109753.1608 298.2173 -161643.9903 -109394.1149 298.6448 37.3834 62.8346 761957.9700 -9.1388 -8.9853 PRESSURE: 3229600 -128.434 -91.7861 113.96 -91.7875 16.8384 244.202 113.96 244.202 -64.0565 GPRESSURE: 3229600 -117.882 35.5803 156.35 38.7908 55.6785 279.352 13.5732 212.935 -47.9854 PRESSAVG: 3229600 -66.084 -30.9011 -52.9483 -30.9012 41.8688 13.666 -52.9482 13.666 2.29232 GPRESSAVG: 3229600 -66.3975 -28.1365 -52.0033 -32.7097 42.2958 14.1764 -52.7096 12.1933 2.3197 TIMING: 3229600 CPU: 10273.4, 0.00315914/step Wall: 10273.4, 0.00315914/step, 1.55359 hours remaining, 241.707031 MB of memory in use. ENERGY: 3229600 3937.7237 20476.6932 14534.2805 246.6817 -203548.4347 2844.6378 0.0000 0.0000 51573.2219 -109935.1959 296.3920 -161508.4178 -109576.5495 299.1219 -58.5507 -36.7296 761402.5034 -7.3076 -7.2607 PRESSURE: 3229800 -219.299 -34.0118 53.7849 -34.0115 -366.536 168.575 53.7849 168.576 -325.745 GPRESSURE: 3229800 -140.427 -11.8386 7.67899 176.525 -421.227 118.626 133.796 126.361 -275.243 PRESSAVG: 3229800 63.7832 -32.671 -28.9361 -32.671 -47.3099 -42.4376 -28.9361 -42.4376 15.3031 GPRESSAVG: 3229800 63.7606 -32.3814 -30.862 -30.404 -48.0298 -43.4162 -27.9774 -42.4819 16.4392 TIMING: 3229800 CPU: 10274, 0.00317306/step Wall: 10274, 0.00317306/step, 1.56026 hours remaining, 241.707031 MB of memory in use. ENERGY: 3229800 3998.8616 20509.5196 14493.4949 247.6252 -203309.0785 2238.6650 0.0000 0.0000 52075.3313 -109745.5807 299.2776 -161820.9120 -109385.6307 298.7172 -303.8599 -278.9656 760637.0966 10.5922 10.7233 PRESSURE: 3230000 -0.68294 -96.1101 -96.9639 -96.1096 -23.2332 120.218 -96.9635 120.219 156.129 GPRESSURE: 3230000 -2.68788 49.7147 -134.33 -100.601 66.3653 67.7736 -62.5502 118.752 122.945 PRESSAVG: 3230000 0.955805 6.80143 -54.5432 6.80141 -20.7267 5.56798 -54.5433 5.56795 8.89515 GPRESSAVG: 3230000 1.50878 6.12981 -54.4228 5.50997 -19.632 6.64754 -53.0425 5.78949 7.41312 TIMING: 3230000 CPU: 10274.6, 0.00315849/step Wall: 10274.6, 0.00315849/step, 1.55292 hours remaining, 241.707031 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: 3230000 4019.2413 20572.7340 14428.6565 232.9419 -203339.6203 2519.0747 0.0000 0.0000 52091.3751 -109475.5967 299.3698 -161566.9718 -109121.3172 299.2989 44.0710 62.2076 759866.2011 -3.6253 -3.5700 PRESSURE: 3230200 -110.475 74.1094 -85.3009 74.1093 308.018 -112.229 -85.3006 -112.229 133.301 GPRESSURE: 3230200 -88.5152 156.516 -8.09291 74.7569 278.912 -137.722 -1.11899 -87.4568 222.541 PRESSAVG: 3230200 3.63264 -36.8815 -41.9484 -36.8815 5.37866 60.253 -41.9484 60.2531 -13.2758 GPRESSAVG: 3230200 3.5219 -37.7539 -41.6272 -36.1542 4.97743 57.936 -44.669 64.03 -12.8755 TIMING: 3230200 CPU: 10275.3, 0.00316617/step Wall: 10275.3, 0.00316617/step, 1.55652 hours remaining, 241.707031 MB of memory in use. ENERGY: 3230200 3939.0647 20672.0348 14483.7073 228.8090 -203280.6976 2357.1256 0.0000 0.0000 52364.6165 -109235.3397 300.9402 -161599.9561 -108868.8953 299.4441 110.2813 137.6459 759935.5039 -1.4215 -1.4587 PRESSURE: 3230400 -11.574 56.6091 -107.301 56.6097 3.93594 -177.043 -107.302 -177.043 225.526 GPRESSURE: 3230400 104.376 92.2282 -177.067 260.775 -40.5772 -124.683 -79.6118 -58.8081 220.75 PRESSAVG: 3230400 -1.8939 -43.6323 -36.884 -43.6323 -10.6025 -45.7108 -36.884 -45.7108 2.66901 GPRESSAVG: 3230400 -1.77387 -44.0288 -37.5252 -44.0789 -10.7496 -43.5296 -34.2867 -47.7356 2.65548 TIMING: 3230400 CPU: 10275.9, 0.00314705/step Wall: 10275.9, 0.00314705/step, 1.54695 hours remaining, 241.707031 MB of memory in use. ENERGY: 3230400 4016.0389 20510.7887 14449.4899 240.8036 -202940.8355 2236.6189 0.0000 0.0000 52143.6605 -109343.4351 299.6703 -161487.0956 -108982.3817 300.1723 72.6293 94.8495 760857.8507 -3.2758 -3.2893 PRESSURE: 3230600 -171.745 5.90619 -150.708 5.90623 -356.4 -43.6861 -150.708 -43.6861 -28.5971 GPRESSURE: 3230600 -175.512 24.4548 -220.271 -5.70462 -274.332 12.0792 -36.8404 -249.984 -32.7014 PRESSAVG: 3230600 46.7683 21.9134 -77.4968 21.9134 -18.7024 -19.1137 -77.4967 -19.1137 -9.27529 GPRESSAVG: 3230600 46.3339 24.356 -79.8346 23.009 -18.4652 -19.5917 -76.2275 -19.7815 -9.22439 TIMING: 3230600 CPU: 10276.5, 0.00313375/step Wall: 10276.5, 0.00313375/step, 1.54024 hours remaining, 241.707031 MB of memory in use. ENERGY: 3230600 3988.3765 20503.6657 14472.4432 250.0020 -203622.0649 2624.9457 0.0000 0.0000 52270.1851 -109512.4467 300.3975 -161782.6318 -109134.9214 299.6312 -185.5808 -160.8484 760665.1737 6.2635 6.2148 PRESSURE: 3230800 -5.54429 -8.60777 -62.1895 -8.60829 153.471 -29.2886 -62.189 -29.2887 212.847 GPRESSURE: 3230800 117.199 15.798 -5.74355 -4.02318 123.247 -64.0905 -63.3254 68.1387 190.716 PRESSAVG: 3230800 16.0284 -56.2503 3.06177 -56.2503 -45.0145 -48.0079 3.06174 -48.0078 -18.7261 GPRESSAVG: 3230800 17.2165 -55.99 5.936 -56.9672 -45.8788 -47.8391 0.96158 -48.1965 -19.3202 TIMING: 3230800 CPU: 10277.1, 0.00317415/step Wall: 10277.1, 0.00317415/step, 1.55992 hours remaining, 241.707031 MB of memory in use. ENERGY: 3230800 3952.3648 20570.0780 14444.7854 250.0062 -203282.5135 2383.9398 0.0000 0.0000 52140.7530 -109540.5864 299.6536 -161681.3394 -109182.9323 299.9455 120.2578 143.7207 758944.4832 -15.9041 -15.9941 PRESSURE: 3231000 54.4424 -183.372 80.777 -183.372 -287.861 -103.586 80.7768 -103.586 426.137 GPRESSURE: 3231000 31.1454 -206.95 51.8985 -143.484 -219.788 -125.134 0.614996 15.8295 466.427 PRESSAVG: 3231000 -23.5007 -44.5574 -15.0464 -44.5575 25.0961 -26.8887 -15.0463 -26.8886 -4.04223 GPRESSAVG: 3231000 -25.3035 -48.4824 -15.7779 -44.3707 25.7096 -25.4341 -16.5383 -25.3994 -3.32148 TIMING: 3231000 CPU: 10277.8, 0.00315611/step Wall: 10277.8, 0.00315611/step, 1.55088 hours remaining, 241.707031 MB of memory in use. ENERGY: 3231000 3917.2789 20759.1420 14442.9722 254.4890 -203391.3514 2549.3827 0.0000 0.0000 51807.3961 -109660.6906 297.7378 -161468.0867 -109300.2479 299.7603 64.2394 92.5947 760799.4697 -0.8156 -0.9718 PRESSURE: 3231200 39.845 170.112 5.31842 170.111 17.8815 105.106 5.31827 105.107 147.271 GPRESSURE: 3231200 75.8513 234.935 2.81288 191.516 89.2916 64.3545 118.099 189.375 132.193 PRESSAVG: 3231200 36.9717 -10.8364 2.75161 -10.8364 -27.0685 4.5189 2.75159 4.51892 5.15668 GPRESSAVG: 3231200 37.491 -9.70932 3.84421 -12.6956 -26.9742 4.65949 4.30779 2.52167 4.45135 TIMING: 3231200 CPU: 10278.4, 0.00313418/step Wall: 10278.4, 0.00313418/step, 1.53993 hours remaining, 241.707031 MB of memory in use. ENERGY: 3231200 3893.9504 20542.6855 14451.8190 242.3829 -203447.6260 2635.6292 0.0000 0.0000 51919.6559 -109761.5031 298.3830 -161681.1591 -109392.6234 298.8026 68.3327 99.1120 761579.5668 5.0200 4.9894 PRESSURE: 3231400 -89.1287 12.7246 72.3308 12.7243 37.8401 97.7798 72.3304 97.7787 543.22 GPRESSURE: 3231400 13.4137 51.3286 79.7409 59.7266 82.2709 131.986 29.5235 84.6848 494.54 PRESSAVG: 3231400 7.45689 21.989 -55.5442 21.989 10.5461 -49.9067 -55.5442 -49.9067 -11.7669 GPRESSAVG: 3231400 7.67559 24.5433 -54.9037 21.5354 10.9026 -52.0988 -56.2344 -48.601 -12.2989 TIMING: 3231400 CPU: 10279, 0.00315157/step Wall: 10279, 0.00315157/step, 1.5483 hours remaining, 241.707031 MB of memory in use. ENERGY: 3231400 4029.6907 20253.4117 14505.6819 244.9364 -203610.0153 2649.1085 0.0000 0.0000 52159.4735 -109767.7125 299.7612 -161927.1860 -109395.8668 298.6441 163.9771 196.7417 760627.3221 2.0787 2.0931 PRESSURE: 3231600 87.1734 83.0803 90.9752 83.081 -75.8541 60.4715 90.9752 60.4711 -61.1476 GPRESSURE: 3231600 26.5599 162.401 124.214 134.288 -16.1067 14.5235 -33.6749 28.4409 37.0867 PRESSAVG: 3231600 55.6606 26.6784 55.9408 26.6783 6.33479 -34.1973 55.9409 -34.1973 -15.5869 GPRESSAVG: 3231600 55.498 25.4424 54.813 28.3443 5.32029 -34.2869 55.399 -36.0364 -13.8767 TIMING: 3231600 CPU: 10279.7, 0.00315529/step Wall: 10279.7, 0.00315529/step, 1.54995 hours remaining, 241.707031 MB of memory in use. ENERGY: 3231600 4016.1037 20258.7551 14501.3988 246.6998 -203542.9426 2669.1286 0.0000 0.0000 52211.6863 -109639.1704 300.0613 -161850.8566 -109279.1408 299.0045 -16.6094 15.8467 759195.0207 15.4695 15.6472 PRESSURE: 3231800 -553.643 -168.181 -4.88534 -168.181 -1.06933 76.2129 -4.88659 76.2119 -104.57 GPRESSURE: 3231800 -503.201 -169.133 22.0637 -147.165 19.9535 47.1734 -34.6059 163.3 -113.838 PRESSAVG: 3231800 -41.5746 -40.4371 -5.44739 -40.4372 56.9875 -45.4769 -5.44743 -45.477 -4.33795 GPRESSAVG: 3231800 -41.6064 -39.2905 -3.95823 -40.5238 57.9981 -45.4965 -5.7219 -44.5681 -5.3121 TIMING: 3231800 CPU: 10280.3, 0.00316789/step Wall: 10280.3, 0.00316789/step, 1.55596 hours remaining, 241.707031 MB of memory in use. ENERGY: 3231800 3990.0097 20525.0601 14614.3005 256.2601 -203283.9781 2533.3304 0.0000 0.0000 51841.4491 -109523.5681 297.9335 -161365.0172 -109157.4365 299.0196 -219.7607 -199.0287 760096.6225 3.6917 3.6932 PRESSURE: 3232000 -121.382 -11.4863 286.777 -11.4868 -370.188 -93.5663 286.777 -93.5678 -259.278 GPRESSURE: 3232000 -189.14 -43.3565 320.9 24.4935 -264.721 -97.3895 274.359 -102.418 -236.319 PRESSAVG: 3232000 -17.7023 -38.9841 68.4614 -38.9841 14.9275 -24.8852 68.4614 -24.8852 6.26428 GPRESSAVG: 3232000 -19.2274 -42.6235 67.7947 -38.0779 15.4776 -24.4518 67.2797 -22.958 6.82378 TIMING: 3232000 CPU: 10280.9, 0.00318234/step Wall: 10280.9, 0.00318234/step, 1.56288 hours remaining, 241.707031 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: 3232000 3997.2436 20517.7784 14501.0170 244.5717 -202606.2378 2070.8078 0.0000 0.0000 52129.6535 -109145.1656 299.5898 -161274.8192 -108784.0428 299.7003 -250.2826 -230.0600 760655.0510 1.1632 1.0247 PRESSURE: 3232200 -282.135 10.9954 126.529 10.9956 -74.1864 10.564 126.528 10.5642 -78.5302 GPRESSURE: 3232200 -157.078 -35.6501 129.975 -4.0681 -113.648 -24.5161 40.6923 -13.4582 -74.5195 PRESSAVG: 3232200 -0.793137 24.3387 10.0471 24.3387 -29.8097 -22.2717 10.0471 -22.2718 12.5847 GPRESSAVG: 3232200 1.46813 25.4876 9.22802 23.6279 -31.592 -21.8269 10.6991 -23.4809 12.8613 TIMING: 3232200 CPU: 10281.6, 0.00315039/step Wall: 10281.6, 0.00315039/step, 1.54702 hours remaining, 241.707031 MB of memory in use. ENERGY: 3232200 3936.0213 20482.2506 14442.0941 254.5662 -202740.0977 2314.8036 0.0000 0.0000 51941.7451 -109368.6170 298.5099 -161310.3620 -109005.3993 299.8220 -144.9506 -115.0820 758757.8259 -6.0060 -5.7542 LDB: ============= START OF LOAD BALANCING ============== 10294 LDB: ============== END OF LOAD BALANCING =============== 10294 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10294 LDB: ============= START OF LOAD BALANCING ============== 10294.3 LDB: Largest compute 7070 load 0.037810 is 19.3% of average load 0.195436 LDB: Average compute 0.004404 is 2.3% of average load 0.195436 LDB: TIME 10294.3 LOAD: AVG 0.195436 MAX 0.212643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 10294.3 LOAD: AVG 0.195436 MAX 0.212643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.293 MB LDB: TIME 10294.3 LOAD: AVG 0.195436 MAX 0.212643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.293 MB LDB: ============== END OF LOAD BALANCING =============== 10294.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10294.3 PRESSURE: 3232400 -88.0632 218.758 -167.344 218.757 -143.271 -22.8454 -167.344 -22.8448 -27.1738 GPRESSURE: 3232400 -21.913 132.846 -208.185 277.31 -143.211 -61.9155 -124.133 -161.659 7.60739 PRESSAVG: 3232400 22.2298 -28.5338 -2.89682 -28.5337 -17.9806 -6.22038 -2.89678 -6.22045 -6.73393 GPRESSAVG: 3232400 21.4658 -28.548 -2.38733 -28.7047 -16.8736 -5.13387 -2.119 -7.71151 -7.42207 TIMING: 3232400 CPU: 10282.2, 0.00319502/step Wall: 10282.2, 0.00319502/step, 1.56875 hours remaining, 240.730469 MB of memory in use. ENERGY: 3232400 3898.3539 20473.4176 14448.2004 246.4195 -202797.5360 2221.0430 0.0000 0.0000 52157.9850 -109352.1166 299.7527 -161510.1015 -108986.1759 299.4635 -86.1695 -52.5055 759738.8571 -0.8282 -0.9433 PRESSURE: 3232600 -210.529 -192.867 109.17 -192.866 122.621 -80.2832 109.17 -80.282 -74.0953 GPRESSURE: 3232600 -171.035 -166.468 151.69 -196.957 147.216 -41.6806 50.0891 -3.00129 -65.8958 PRESSAVG: 3232600 -9.29298 -63.6037 44.9547 -63.6037 34.6741 -78.8472 44.9547 -78.8472 -0.282777 GPRESSAVG: 3232600 -9.61572 -64.5563 45.0042 -63.3685 34.548 -79.8472 45.8335 -77.8759 0.0755769 TIMING: 3232600 CPU: 10282.8, 0.00314959/step Wall: 10282.8, 0.00314959/step, 1.54627 hours remaining, 240.730469 MB of memory in use. ENERGY: 3232600 4005.2861 20569.6911 14524.2751 229.5509 -203472.6210 2676.2150 0.0000 0.0000 52102.8297 -109364.7732 299.4357 -161467.6029 -109009.8485 299.5258 -54.0014 -29.9051 759456.3057 8.3661 8.3359 PRESSURE: 3232800 -245.928 -94.4871 180.387 -94.4869 -298.077 -90.9394 180.386 -90.94 308.108 GPRESSURE: 3232800 -236.253 -95.4431 165.665 -18.415 -165.809 -96.637 203.135 49.8522 235.666 PRESSAVG: 3232800 -46.1485 -54.4631 -19.3546 -54.4631 35.0965 -31.9544 -19.3546 -31.9544 10.6306 GPRESSAVG: 3232800 -46.2511 -55.6951 -20.3814 -52.71 34.6273 -31.5571 -19.3774 -30.9034 10.7301 TIMING: 3232800 CPU: 10283.5, 0.00313746/step Wall: 10283.5, 0.00313746/step, 1.54014 hours remaining, 240.730469 MB of memory in use. ENERGY: 3232800 4036.7625 20634.0619 14517.3716 251.8386 -203079.5963 2362.1634 0.0000 0.0000 51969.1715 -109308.2268 298.6675 -161277.3983 -108950.0255 299.5719 -78.6324 -55.4653 759303.7346 -0.1405 -0.2979 PRESSURE: 3233000 -204.623 121.833 -85.5086 121.832 -211.046 155.91 -85.5093 155.91 -423.312 GPRESSURE: 3233000 -172.801 71.5093 -37.1081 119.671 -164.207 174.948 -92.9786 -50.5372 -417.233 PRESSAVG: 3233000 -24.917 -18.5965 8.3132 -18.5966 27.2435 -48.1761 8.31324 -48.1761 -15.6556 GPRESSAVG: 3233000 -25.2264 -17.4554 9.01366 -19.0745 27.9219 -47.5223 7.56304 -50.5406 -16.2004 TIMING: 3233000 CPU: 10284.1, 0.00318168/step Wall: 10284.1, 0.00318168/step, 1.56168 hours remaining, 240.730469 MB of memory in use. ENERGY: 3233000 4005.0128 20439.8442 14476.0005 249.4892 -202951.6427 2208.6351 0.0000 0.0000 52144.3930 -109428.2679 299.6745 -161572.6609 -109077.3187 298.9830 -279.6607 -251.4134 762751.4402 -4.4430 -4.5017 PRESSURE: 3233200 -18.2209 199.98 -141.991 199.98 -323.235 173.517 -141.991 173.518 2.3026 GPRESSURE: 3233200 68.1423 -52.4199 -94.7314 101.818 -280.273 137.04 -172.488 109.015 -29.1046 PRESSAVG: 3233200 48.3122 18.7217 24.0845 18.7217 -45.2309 -40.3078 24.0846 -40.3077 23.3364 GPRESSAVG: 3233200 47.1657 19.9132 23.2696 16.5104 -44.5133 -42.5556 28.6214 -40.3658 23.5583 TIMING: 3233200 CPU: 10284.7, 0.00316179/step Wall: 10284.7, 0.00316179/step, 1.55174 hours remaining, 240.730469 MB of memory in use. ENERGY: 3233200 3969.9538 20616.8654 14485.7515 242.2343 -203057.5997 2257.5022 0.0000 0.0000 52177.1937 -109308.0989 299.8630 -161485.2926 -108928.6119 299.4942 -113.0510 -80.4116 760917.6402 8.8059 8.7369 PRESSURE: 3233400 -65.1918 -190.019 -21.3342 -190.019 -121.555 -56.4903 -21.3347 -56.4913 -61.4374 GPRESSURE: 3233400 -8.35714 -237.583 -8.46387 -277.017 -152.241 -70.7318 -18.3088 -20.971 5.90038 PRESSAVG: 3233400 46.0199 -66.4331 -1.38132 -66.4331 2.56895 -33.8734 -1.38135 -33.8733 10.5324 GPRESSAVG: 3233400 48.1604 -68.3724 -1.67963 -65.3232 1.14457 -31.6812 -4.93149 -33.0762 10.0458 TIMING: 3233400 CPU: 10285.4, 0.003162/step Wall: 10285.4, 0.003162/step, 1.55166 hours remaining, 240.730469 MB of memory in use. ENERGY: 3233400 4028.1289 20475.8851 14504.4322 277.0098 -202726.0615 2314.9104 0.0000 0.0000 52142.5638 -108983.1312 299.6640 -161125.6950 -108626.3545 300.1578 -82.7282 -51.5659 760413.0545 19.7071 19.7836 PRESSURE: 3233600 187.017 -53.5899 165.733 -53.5899 130.569 287.015 165.733 287.015 402.405 GPRESSURE: 3233600 186.519 -51.0191 149.558 7.25291 234.349 262.663 136.122 404.958 376.1 PRESSAVG: 3233600 -15.8291 -74.0469 -28.5871 -74.0469 6.83733 14.3533 -28.5871 14.3533 -7.99689 GPRESSAVG: 3233600 -15.1802 -72.6138 -29.2011 -73.0769 7.06607 14.1933 -27.7047 14.2365 -8.65326 TIMING: 3233600 CPU: 10286, 0.00317343/step Wall: 10286, 0.00317343/step, 1.5571 hours remaining, 240.730469 MB of memory in use. ENERGY: 3233600 4037.5593 20428.3386 14406.0230 254.0419 -202968.7308 2422.8403 0.0000 0.0000 52328.8582 -109091.0696 300.7347 -161419.9278 -108726.0566 300.2872 239.9971 265.6562 760891.7509 -5.6629 -5.5891 PRESSURE: 3233800 -115.7 3.18924 24.0877 3.19008 -212.21 40.4649 24.0872 40.4648 -54.4989 GPRESSURE: 3233800 -87.5815 -101.022 -0.112692 -83.3503 -192.123 6.01851 42.4713 99.0992 -33.0958 PRESSAVG: 3233800 -1.98399 -70.3061 -16.5713 -70.3062 22.1037 26.3347 -16.5714 26.3348 4.40929 GPRESSAVG: 3233800 -2.14185 -69.6436 -16.2096 -71.113 21.5651 25.8379 -16.4455 25.7322 5.10217 TIMING: 3233800 CPU: 10286.6, 0.00317173/step Wall: 10286.6, 0.00317174/step, 1.55609 hours remaining, 240.730469 MB of memory in use. ENERGY: 3233800 3957.8883 20535.2430 14449.3277 247.4661 -203298.7332 2417.2115 0.0000 0.0000 52531.8874 -109159.7092 301.9015 -161691.5965 -108798.0845 300.4584 -127.4698 -104.2669 761661.4322 8.1763 8.1751 PRESSURE: 3234000 -49.2693 230.889 18.674 230.888 131.38 -183.532 18.6735 -183.533 -125.869 GPRESSURE: 3234000 47.7831 149.126 -28.7408 234.642 61.175 -262.072 -47.1149 -234.187 -53.9014 PRESSAVG: 3234000 -29.9256 -37.0934 -12.9241 -37.0935 -1.12307 3.29389 -12.9241 3.29388 -33.2407 GPRESSAVG: 3234000 -29.6298 -35.9037 -12.3182 -37.246 -2.2255 4.2832 -14.6676 4.69339 -32.6859 TIMING: 3234000 CPU: 10287.3, 0.0031743/step Wall: 10287.3, 0.0031743/step, 1.55717 hours remaining, 240.730469 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: 3234000 4095.8750 20654.6641 14484.0561 239.4647 -203530.0647 2702.0648 0.0000 0.0000 52188.1730 -109165.7671 299.9261 -161353.9401 -108801.9999 299.9233 -14.5863 18.3522 759856.9375 -21.4298 -21.5138 PRESSURE: 3234200 211.859 -54.2613 -82.3396 -54.2599 -60.8958 26.2272 -82.3394 26.2273 -281.406 GPRESSURE: 3234200 199.194 -79.1419 -16.3265 -78.9647 0.9159 -24.6555 -90.4929 74.1781 -256.207 PRESSAVG: 3234200 59.1216 -45.6592 19.5932 -45.6592 -45.5372 9.76768 19.5932 9.7677 5.73126 GPRESSAVG: 3234200 58.555 -45.566 19.3978 -45.8854 -44.6702 8.79236 19.3447 9.58418 5.73862 TIMING: 3234200 CPU: 10287.9, 0.00315741/step Wall: 10287.9, 0.00315741/step, 1.54871 hours remaining, 240.730469 MB of memory in use. ENERGY: 3234200 4016.7581 20651.2116 14448.9831 249.8298 -202940.2777 2393.3305 0.0000 0.0000 51938.6092 -109241.5553 298.4919 -161180.1646 -108888.6605 300.0845 -43.4808 -18.6989 761544.1436 6.4386 6.5411 PRESSURE: 3234400 -12.3685 -102.991 99.3805 -102.99 -105.431 -187.953 99.38 -187.953 -16.7099 GPRESSURE: 3234400 -15.2837 -46.7193 68.8882 -141.717 -97.7128 -132.567 174.148 -112.267 46.9062 PRESSAVG: 3234400 2.71971 -47.9816 -1.60801 -47.9816 -8.20019 -3.5092 -1.60803 -3.50922 -5.50725 GPRESSAVG: 3234400 2.08549 -48.1062 -1.77204 -47.5006 -7.57626 -2.73699 -0.662084 -3.66221 -5.37224 TIMING: 3234400 CPU: 10288.5, 0.00316387/step Wall: 10288.5, 0.00316387/step, 1.5517 hours remaining, 240.730469 MB of memory in use. ENERGY: 3234400 4023.2159 20512.0760 14516.1724 234.6515 -203135.2366 2562.4799 0.0000 0.0000 52030.1479 -109256.4930 299.0180 -161286.6409 -108884.1454 299.8018 -44.8364 -22.0301 760005.8491 -3.6626 -3.6210 PRESSURE: 3234600 -244.122 -55.36 -14.399 -55.3597 182.796 161.268 -14.399 161.269 125.433 GPRESSURE: 3234600 -166.281 -41.0124 -72.38 -22.6426 198.522 110.024 -11.9903 105.518 120.776 PRESSAVG: 3234600 -17.458 -35.2434 -33.0048 -35.2435 40.8232 64.2055 -33.0048 64.2055 -4.57285 GPRESSAVG: 3234600 -17.3914 -36.9272 -32.4339 -36.0461 41.4557 64.4533 -35.3014 64.697 -5.20789 TIMING: 3234600 CPU: 10289.2, 0.00316142/step Wall: 10289.2, 0.00316142/step, 1.55033 hours remaining, 240.730469 MB of memory in use. ENERGY: 3234600 4013.2033 20557.7500 14468.0262 233.9320 -203057.3629 2485.3216 0.0000 0.0000 51988.0405 -109311.0894 298.7760 -161299.1298 -108954.3254 299.4083 21.3690 51.0055 760479.6855 6.2641 6.2855 PRESSURE: 3234800 -218.06 -149.42 324.28 -149.419 -328.709 19.154 324.28 19.1543 -446.913 GPRESSURE: 3234800 -267.849 -87.4439 323.67 -148.806 -149.883 -14.837 318.924 110.911 -467.857 PRESSAVG: 3234800 30.1514 13.7241 -16.9015 13.7241 -6.83683 23.0909 -16.9015 23.0908 35.8117 GPRESSAVG: 3234800 30.9645 14.3541 -16.7746 14.1269 -6.47141 22.4885 -14.2787 21.9341 34.8389 TIMING: 3234800 CPU: 10289.8, 0.0031879/step Wall: 10289.8, 0.0031879/step, 1.56313 hours remaining, 240.730469 MB of memory in use. ENERGY: 3234800 3981.9680 20499.5900 14420.9097 249.6445 -202923.5778 2240.7485 0.0000 0.0000 52232.3339 -109298.3831 300.1799 -161530.7171 -108914.9884 299.5251 -331.2275 -295.1960 761493.7372 19.7087 19.7773 PRESSURE: 3235000 101.592 -42.1487 -106.359 -42.1477 135.207 -28.5834 -106.358 -28.5833 -185.105 GPRESSURE: 3235000 150.667 27.017 -277.273 102.897 119.804 -41.1964 -15.5756 -35.672 -138.407 PRESSAVG: 3235000 -42.0811 -9.16977 34.9616 -9.16973 25.4913 32.5764 34.9616 32.5765 8.81575 GPRESSAVG: 3235000 -41.3998 -8.09301 34.3301 -7.02571 24.0389 33.2975 36.4514 32.3734 10.2554 TIMING: 3235000 CPU: 10290.4, 0.00317207/step Wall: 10290.4, 0.00317207/step, 1.55519 hours remaining, 240.730469 MB of memory in use. ENERGY: 3235000 3972.8719 20742.1305 14444.8951 253.1183 -203156.3542 2423.9371 0.0000 0.0000 52181.9080 -109137.4933 299.8901 -161319.4013 -108767.3023 299.8959 17.2314 44.0214 760415.6129 -2.5914 -2.3685 PRESSURE: 3235200 101.048 -158.935 -61.0466 -158.934 192.666 -73.6384 -61.0462 -73.6369 453.884 GPRESSURE: 3235200 226.128 -196.185 -17.7386 -107.535 177.552 24.0627 -57.0927 15.2821 445.49 PRESSAVG: 3235200 -27.1573 5.63279 30.0188 5.63281 -9.84706 -14.8272 30.0189 -14.8271 13.1729 GPRESSAVG: 3235200 -26.8551 4.92278 29.5095 4.16027 -8.6236 -15.3204 27.5632 -13.1808 11.9383 TIMING: 3235200 CPU: 10291.1, 0.00319712/step Wall: 10291.1, 0.00319712/step, 1.5673 hours remaining, 240.730469 MB of memory in use. ENERGY: 3235200 3952.7506 20734.6119 14491.9114 239.9628 -203621.8795 2888.8063 0.0000 0.0000 52070.5050 -109243.3315 299.2499 -161313.8364 -108890.5484 299.8362 249.1991 283.0565 761152.7677 -7.9438 -7.8468 PRESSURE: 3235400 -292.333 182.735 -207.684 182.734 13.4715 340.914 -207.684 340.914 -260.425 GPRESSURE: 3235400 -305.634 133.622 -235.595 133.48 54.6402 220.638 -91.7644 196.663 -199.422 PRESSAVG: 3235400 1.94168 -19.2353 -53.0247 -19.2353 3.09143 41.5602 -53.0247 41.5602 -2.25857 GPRESSAVG: 3235400 1.247 -17.9679 -52.8784 -20.7672 2.3895 43.4697 -50.7112 39.7995 -1.71842 TIMING: 3235400 CPU: 10291.7, 0.00318548/step Wall: 10291.7, 0.00318548/step, 1.56142 hours remaining, 240.730469 MB of memory in use. ENERGY: 3235400 4033.3176 20561.6374 14420.2661 233.3236 -202553.7056 2134.8749 0.0000 0.0000 52059.3744 -109110.9115 299.1859 -161170.2859 -108743.2218 300.0777 -179.7619 -150.1384 761660.4120 0.9248 0.6394 PRESSURE: 3235600 -232.04 -138.14 235.238 -138.14 -32.5098 -162.325 235.238 -162.325 -19.7459 GPRESSURE: 3235600 -142.387 -178.626 181.745 -126.336 -77.5238 -209.657 157.486 -305.759 34.2906 PRESSAVG: 3235600 -18.8424 1.03826 4.2567 1.03821 3.67943 34.5838 4.25667 34.5837 -6.62143 GPRESSAVG: 3235600 -18.1177 1.41454 4.37672 0.579467 3.38458 33.9806 3.3946 33.3403 -6.92607 TIMING: 3235600 CPU: 10292.3, 0.00316683/step Wall: 10292.3, 0.00316683/step, 1.5521 hours remaining, 240.730469 MB of memory in use. ENERGY: 3235600 3997.7541 20555.5236 14467.1649 235.7303 -203279.4159 2556.5109 0.0000 0.0000 52231.4417 -109235.2904 300.1748 -161466.7321 -108861.9380 299.7485 -94.7651 -61.8734 761985.3978 -7.2615 -7.2197 PRESSURE: 3235800 139.107 -1.38628 133.694 -1.38678 46.9141 -81.6376 133.695 -81.6387 231.591 GPRESSURE: 3235800 226.751 29.1863 131.279 37.1699 73.9738 -97.381 68.1833 123.968 210.049 PRESSAVG: 3235800 -44.6078 -68.1298 14.0432 -68.1298 37.2104 -1.90804 14.0432 -1.90803 13.6481 GPRESSAVG: 3235800 -45.3999 -69.9142 14.0968 -65.6419 37.9221 -1.77594 12.3602 0.599332 13.5642 TIMING: 3235800 CPU: 10293, 0.00317135/step Wall: 10293, 0.00317135/step, 1.55414 hours remaining, 240.730469 MB of memory in use. ENERGY: 3235800 3990.5985 20608.8054 14475.3975 244.9673 -203479.4001 2575.3355 0.0000 0.0000 52446.9448 -109137.3512 301.4133 -161584.2959 -108768.7588 300.1468 139.2041 170.2581 759451.8131 2.0836 2.0288 PRESSURE: 3236000 -12.3862 -86.9331 -219.027 -86.933 224.25 26.126 -219.027 26.1263 284.181 GPRESSURE: 3236000 98.5145 30.9007 -162.604 -229.03 304.293 31.8244 -218.341 5.55146 202.384 PRESSAVG: 3236000 8.8167 -49.5495 -9.87348 -49.5495 -36.6708 -37.618 -9.87344 -37.618 -8.62834 GPRESSAVG: 3236000 8.03907 -49.1527 -8.93909 -52.0037 -35.2327 -37.9897 -9.82058 -39.6838 -8.41879 TIMING: 3236000 CPU: 10293.6, 0.00317849/step Wall: 10293.6, 0.00317849/step, 1.55746 hours remaining, 240.730469 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: 3236000 4058.1522 20782.0774 14429.8923 226.0567 -203590.6927 2722.5849 0.0000 0.0000 52205.2119 -109166.7173 300.0241 -161371.9292 -108807.9694 300.0061 165.3481 201.7303 759629.0283 -12.1608 -11.8708 PRESSURE: 3236200 381.563 79.388 -201.769 79.387 298.339 -64.9309 -201.769 -64.9304 369.67 GPRESSURE: 3236200 322.481 68.7748 -225.016 64.2921 388.051 -94.6423 -208.745 -52.9304 377.881 PRESSAVG: 3236200 8.24018 -1.30849 -6.20487 -1.30844 45.3506 43.345 -6.20485 43.3452 -13.8056 GPRESSAVG: 3236200 10.2583 -2.03893 -7.07652 -0.348246 42.8545 43.0633 -3.50921 45.1435 -13.167 TIMING: 3236200 CPU: 10294.2, 0.00316725/step Wall: 10294.2, 0.00316725/step, 1.55178 hours remaining, 240.730469 MB of memory in use. ENERGY: 3236200 3961.1674 20674.6015 14467.9293 263.8932 -203234.6004 2623.3251 0.0000 0.0000 52128.5525 -109115.1314 299.5835 -161243.6839 -108749.1045 300.0036 349.8574 362.8045 760971.8440 13.2617 13.3153 LDB: ============= START OF LOAD BALANCING ============== 10306.7 LDB: ============== END OF LOAD BALANCING =============== 10306.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10306.7 LDB: ============= START OF LOAD BALANCING ============== 10307 LDB: Largest compute 7031 load 0.037620 is 19.3% of average load 0.195275 LDB: Average compute 0.004406 is 2.3% of average load 0.195275 LDB: TIME 10307 LOAD: AVG 0.195275 MAX 0.213543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 10307 LOAD: AVG 0.195275 MAX 0.213543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 10307 LOAD: AVG 0.195275 MAX 0.213543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 10307 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10307 PRESSURE: 3236400 104.466 4.95832 93.5314 4.95836 -157.058 -56.3126 93.5315 -56.3123 -317.14 GPRESSURE: 3236400 60.7768 35.544 19.556 -36.7268 -79.6747 -54.054 168.058 70.2511 -286.476 PRESSAVG: 3236400 -1.70552 7.54215 -39.8769 7.54216 -6.74835 -13.0725 -39.8769 -13.0724 29.481 GPRESSAVG: 3236400 -4.27021 5.46594 -40.2174 8.9784 -4.08314 -13.3931 -41.5482 -14.9727 28.9874 TIMING: 3236400 CPU: 10294.9, 0.00323949/step Wall: 10294.9, 0.00323949/step, 1.58699 hours remaining, 239.585938 MB of memory in use. ENERGY: 3236400 3939.4088 20730.2058 14587.0567 262.1657 -202776.3628 2180.8156 0.0000 0.0000 51948.5600 -109128.1502 298.5491 -161076.7102 -108764.4161 300.0346 -123.2440 -101.7912 763106.7355 7.0090 6.8780 PRESSURE: 3236600 -1.78563 110.229 -56.2199 110.229 -271.391 -160.953 -56.2196 -160.953 -54.5572 GPRESSURE: 3236600 -89.525 -46.1578 15.9103 -34.0392 -151.568 -143.652 -137.68 -193.758 -2.91548 PRESSAVG: 3236600 36.0001 -27.8488 31.3824 -27.8488 -39.1294 -23.0307 31.3823 -23.0306 -18.4053 GPRESSAVG: 3236600 37.6664 -27.0516 30.9968 -27.7842 -40.8743 -23.537 31.5848 -21.2117 -18.148 TIMING: 3236600 CPU: 10295.5, 0.00317018/step Wall: 10295.5, 0.00317018/step, 1.55286 hours remaining, 239.585938 MB of memory in use. ENERGY: 3236600 3971.9440 20634.2510 14508.1571 243.9303 -203210.3474 2453.5084 0.0000 0.0000 52352.5069 -109046.0497 300.8706 -161398.5565 -108677.2196 299.9053 -109.2447 -81.3361 762814.5805 -7.1782 -7.1186 PRESSURE: 3236800 311.326 -156.363 34.8817 -156.362 48.1387 95.2675 34.8815 95.2672 -192.935 GPRESSURE: 3236800 327.912 -81.3482 26.0046 -196.272 97.8578 92.9233 111.637 -66.8854 -172.271 PRESSAVG: 3236800 34.118 -14.8327 -28.8401 -14.8327 -48.9848 -24.1366 -28.8401 -24.1366 -17.4402 GPRESSAVG: 3236800 33.8974 -14.5194 -27.6559 -17.5893 -48.1888 -23.5631 -29.8711 -25.2407 -17.6078 TIMING: 3236800 CPU: 10296.2, 0.00317317/step Wall: 10296.2, 0.00317317/step, 1.55415 hours remaining, 239.585938 MB of memory in use. ENERGY: 3236800 3998.5972 20767.4496 14570.8937 242.3833 -203117.0536 2510.8288 0.0000 0.0000 52016.8998 -109010.0011 298.9418 -161026.9009 -108651.3680 300.1641 55.5097 84.4995 762165.0610 -10.7690 -10.6331 PRESSURE: 3237000 -5.46394 -42.9839 112.411 -42.9852 -113.065 7.23081 112.411 7.23063 2.19882 GPRESSURE: 3237000 -49.3459 -110.482 130.844 -141.491 -49.7634 58.5517 75.1708 -171.149 67.3455 PRESSAVG: 3237000 21.7356 -30.4242 7.08371 -30.4241 -33.5619 -63.1395 7.0837 -63.1394 1.77793 GPRESSAVG: 3237000 22.0684 -30.3712 6.00799 -29.1498 -33.6373 -64.41 9.02373 -62.5056 1.15671 TIMING: 3237000 CPU: 10296.8, 0.00317123/step Wall: 10296.8, 0.00317123/step, 1.55302 hours remaining, 239.585938 MB of memory in use. ENERGY: 3237000 4019.0493 20729.3135 14476.2654 237.3132 -203224.1812 2492.1238 0.0000 0.0000 52243.5278 -109026.5882 300.2443 -161270.1160 -108670.8267 300.4375 -38.7768 -10.5879 761435.5944 -3.3495 -3.4707 PRESSURE: 3237200 -63.1562 -19.7058 -65.7463 -19.7058 51.6962 -208.629 -65.7466 -208.629 97.4553 GPRESSURE: 3237200 -41.8291 9.86579 -157.961 -38.2153 91.3369 -228.212 -23.9012 -116.771 141.285 PRESSAVG: 3237200 -21.0606 -76.5707 46.3936 -76.5707 11.0312 16.6207 46.3937 16.6206 -14.0024 GPRESSAVG: 3237200 -20.9476 -75.9783 45.6227 -78.826 11.0587 18.7484 46.053 15.8743 -13.6563 TIMING: 3237200 CPU: 10297.4, 0.00314902/step Wall: 10297.4, 0.00314902/step, 1.54197 hours remaining, 239.585938 MB of memory in use. ENERGY: 3237200 3941.3126 20617.4711 14495.9946 239.8111 -203204.8178 2480.7043 0.0000 0.0000 52350.7945 -109078.7297 300.8607 -161429.5242 -108711.2109 300.3264 28.6651 63.5975 761969.8766 -8.0106 -7.8484 PRESSURE: 3237400 91.7055 15.2576 291.57 15.2576 -33.504 34.0907 291.571 34.0909 284.21 GPRESSURE: 3237400 178.838 118.378 292.602 38.7826 -15.1171 -5.35964 288.172 -6.71548 237.457 PRESSAVG: 3237400 3.22841 -1.37134 -30.7779 -1.37134 22.3258 -8.41779 -30.7779 -8.4178 25.8706 GPRESSAVG: 3237400 3.15183 -1.46602 -30.6238 0.774949 22.2063 -9.79247 -32.6875 -7.17049 25.51 TIMING: 3237400 CPU: 10298.1, 0.00316096/step Wall: 10298.1, 0.00316096/step, 1.54764 hours remaining, 239.585938 MB of memory in use. ENERGY: 3237400 3996.7078 20642.9731 14553.9685 244.5796 -203444.3757 2639.3512 0.0000 0.0000 52178.6024 -109188.1932 299.8711 -161366.7956 -108822.9545 300.1855 114.1373 133.7258 761375.9109 17.1416 16.9560 PRESSURE: 3237600 -390.235 -332.069 -290.662 -332.069 -362.799 -8.14356 -290.662 -8.1443 -295.183 GPRESSURE: 3237600 -348.834 -271.394 -241.806 -210.067 -317.847 42.2088 -105.73 97.547 -285.468 PRESSAVG: 3237600 -86.5922 -58.9304 -26.983 -58.9305 102.967 11.5888 -26.983 11.5888 -14.1385 GPRESSAVG: 3237600 -85.3835 -59.5194 -25.5451 -58.679 103.573 11.8713 -24.8665 9.93975 -15.8319 TIMING: 3237600 CPU: 10298.7, 0.00315998/step Wall: 10298.7, 0.00315998/step, 1.54699 hours remaining, 239.585938 MB of memory in use. ENERGY: 3237600 4057.0608 20769.7856 14451.8252 244.9320 -203128.3769 2274.7195 0.0000 0.0000 52196.0985 -109133.9552 299.9717 -161330.0537 -108780.3747 300.0670 -349.4059 -317.3830 763193.8000 0.7456 0.7860 PRESSURE: 3237800 91.4975 -101.86 -256.762 -101.86 39.937 16.5348 -256.762 16.5358 131.074 GPRESSURE: 3237800 34.8859 -62.7274 -216.057 -132.603 130.12 -44.4949 -189.54 -7.96296 203.396 PRESSAVG: 3237800 29.2229 -41.896 -28.7221 -41.896 -24.0214 42.1656 -28.722 42.1656 9.17649 GPRESSAVG: 3237800 28.791 -40.7897 -28.3316 -42.2188 -24.0506 42.5362 -29.4421 41.4809 9.59417 TIMING: 3237800 CPU: 10299.3, 0.0031518/step Wall: 10299.3, 0.0031518/step, 1.54281 hours remaining, 239.585938 MB of memory in use. ENERGY: 3237800 3917.2144 20546.3153 14436.5180 241.0293 -203141.1597 2723.1404 0.0000 0.0000 52126.7735 -109150.1688 299.5733 -161276.9423 -108784.9363 300.2780 87.5029 122.8009 763175.3630 4.7927 4.7782 PRESSURE: 3238000 -79.5644 53.9685 233.639 53.9679 6.68587 33.8079 233.639 33.809 300.951 GPRESSURE: 3238000 6.76212 -78.8023 263.063 161.633 36.7049 94.345 187.399 -2.77414 304.229 PRESSAVG: 3238000 -13.5085 17.7777 -15.8438 17.7776 24.6616 50.1848 -15.8439 50.1848 14.2734 GPRESSAVG: 3238000 -14.5636 16.9842 -17.7959 19.1231 26.2997 51.6536 -13.2955 49.7889 14.2214 TIMING: 3238000 CPU: 10300, 0.00317098/step Wall: 10300, 0.00317098/step, 1.55202 hours remaining, 239.585938 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: 3238000 4022.8356 20399.5960 14468.3315 255.6583 -203665.2014 2929.3434 0.0000 0.0000 52183.2042 -109406.2324 299.8976 -161589.4366 -109039.9973 300.0771 76.0243 115.8986 760479.8597 8.4755 8.6525 PRESSURE: 3238200 51.9028 -265.977 -47.6825 -265.977 48.8835 108.595 -47.6813 108.594 200.735 GPRESSURE: 3238200 48.3826 -201.202 -108.439 -202.817 79.8995 121.716 65.1703 94.3837 241.178 PRESSAVG: 3238200 37.9162 26.987 97.0198 26.9871 -10.7252 8.74143 97.0199 8.7414 -5.94042 GPRESSAVG: 3238200 38.2948 25.9913 97.5626 27.2128 -13.0742 6.9465 95.1764 10.8777 -4.53588 TIMING: 3238200 CPU: 10300.6, 0.00318498/step Wall: 10300.6, 0.00318498/step, 1.55869 hours remaining, 239.585938 MB of memory in use. ENERGY: 3238200 3936.4288 20473.6241 14432.2910 232.0135 -203382.5429 2771.6384 0.0000 0.0000 52206.3676 -109330.1795 300.0307 -161536.5471 -108969.5014 299.8963 100.5072 123.1532 761528.2914 7.0835 6.8949 PRESSURE: 3238400 161.767 342.463 -26.9794 342.464 324.889 117.756 -26.9801 117.757 167.098 GPRESSURE: 3238400 148.844 212.255 -136.274 377.801 377.274 167.8 -109.53 119.733 209.655 PRESSAVG: 3238400 -2.11148 -27.0581 36.6842 -27.058 -16.4074 -1.75258 36.6843 -1.75256 11.7006 GPRESSAVG: 3238400 -2.91719 -25.8979 38.7095 -27.1996 -15.9156 -1.73241 36.3643 -1.69104 12.0254 TIMING: 3238400 CPU: 10301.2, 0.00318554/step Wall: 10301.2, 0.00318554/step, 1.55879 hours remaining, 239.585938 MB of memory in use. ENERGY: 3238400 3918.2255 20484.8414 14480.9462 228.9073 -203630.2463 2792.4623 0.0000 0.0000 52354.5761 -109370.2874 300.8825 -161724.8635 -108995.5347 299.4596 217.9181 245.2575 760158.3555 -2.2728 -2.2691 PRESSURE: 3238600 -37.4276 -70.4451 -51.393 -70.445 -189.82 -5.37801 -51.3925 -5.37671 18.91 GPRESSURE: 3238600 -97.7165 90.4339 -127.984 -142.197 -115.251 -82.2907 -126.046 0.258865 92.9504 PRESSAVG: 3238600 77.9172 -12.2337 -21.1631 -12.2337 -43.2652 -7.69181 -21.1631 -7.69189 1.39785 GPRESSAVG: 3238600 78.1922 -13.6117 -21.8731 -11.9432 -43.6137 -6.44276 -20.4466 -9.72689 1.93561 TIMING: 3238600 CPU: 10301.9, 0.00317895/step Wall: 10301.9, 0.00317895/step, 1.55539 hours remaining, 239.585938 MB of memory in use. ENERGY: 3238600 3916.3077 20614.2509 14395.4339 237.8490 -203570.0872 2515.7472 0.0000 0.0000 52230.6328 -109659.8657 300.1702 -161890.4985 -109305.4181 300.0480 -69.4459 -40.0057 759991.9024 12.0166 12.1714 PRESSURE: 3238800 -107.364 13.0852 1.52976 13.0855 -477.447 -190.357 1.53012 -190.357 -56.5594 GPRESSURE: 3238800 -88.1131 69.0481 -47.1174 -19.8767 -402.028 -142.25 72.6268 -48.3654 -54.4188 PRESSAVG: 3238800 27.4157 -8.06493 -54.2403 -8.06499 -65.6944 9.80834 -54.2403 9.80826 0.838542 GPRESSAVG: 3238800 27.0403 -8.75402 -55.5699 -9.67181 -63.9048 8.32047 -55.1655 11.4379 0.0140413 TIMING: 3238800 CPU: 10302.5, 0.00318021/step Wall: 10302.5, 0.00318021/step, 1.55583 hours remaining, 239.585938 MB of memory in use. ENERGY: 3238800 3982.3789 20487.4728 14469.5898 252.5809 -202863.1555 2029.0015 0.0000 0.0000 52116.8259 -109525.3057 299.5161 -161642.1315 -109160.4010 299.2264 -213.7901 -181.5200 760233.7765 -12.4801 -12.2835 PRESSURE: 3239000 675.563 65.1264 104.481 65.1263 652.504 53.8357 104.48 53.835 184.923 GPRESSURE: 3239000 656.115 50.821 130.656 74.8726 691.337 147.795 45.749 -5.16564 233.85 PRESSAVG: 3239000 72.7218 -24.4014 -15.7712 -24.4014 -60.8406 -13.087 -15.7713 -13.0869 -37.8906 GPRESSAVG: 3239000 72.2975 -24.6435 -14.4398 -23.2768 -61.6244 -14.2548 -16.8606 -13.8434 -37.6343 TIMING: 3239000 CPU: 10303.1, 0.00316884/step Wall: 10303.1, 0.00316884/step, 1.55009 hours remaining, 239.585938 MB of memory in use. ENERGY: 3239000 3926.5859 20508.3072 14458.7520 237.8992 -203503.2211 2774.7804 0.0000 0.0000 52093.4812 -109503.4153 299.3820 -161596.8964 -109135.1567 299.7646 504.3299 527.1007 760157.2253 -8.6698 -8.9870 PRESSURE: 3239200 129.636 145.363 -9.57555 145.363 -86.9018 -195.548 -9.57574 -195.548 -83.268 GPRESSURE: 3239200 69.7054 110.657 60.8865 162.498 -12.2123 -192.492 54.9973 -233.853 -14.1225 PRESSAVG: 3239200 50.3205 31.8019 37.8362 31.8019 -82.8079 -45.7104 37.8362 -45.7103 15.1065 GPRESSAVG: 3239200 51.5061 33.2324 38.0569 30.8212 -83.0383 -43.5939 38.8842 -45.7217 14.9478 TIMING: 3239200 CPU: 10303.8, 0.00315725/step Wall: 10303.8, 0.00315725/step, 1.54425 hours remaining, 239.585938 MB of memory in use. ENERGY: 3239200 4119.6989 20397.8628 14483.1652 245.6004 -203226.5071 2596.3134 0.0000 0.0000 52161.9851 -109221.8813 299.7756 -161383.8664 -108863.0886 299.5066 -13.5113 14.4569 761670.6701 -5.7936 -5.5282 PRESSURE: 3239400 161.69 -139.279 78.2829 -139.278 -50.52 -35.0119 78.2838 -35.013 -160.734 GPRESSURE: 3239400 322.842 -94.1181 102.869 -245.761 -140.532 -16.4078 22.8718 -112.655 -153.854 PRESSAVG: 3239400 71.3768 21.0289 -3.62793 21.0288 -23.6952 -54.1091 -3.6279 -54.1091 11.8594 GPRESSAVG: 3239400 70.549 21.4155 -5.17999 20.5622 -23.8935 -54.1881 -4.49038 -54.9297 12.3803 TIMING: 3239400 CPU: 10304.4, 0.00316706/step Wall: 10304.4, 0.00316706/step, 1.54887 hours remaining, 239.585938 MB of memory in use. ENERGY: 3239400 4033.2230 20587.6588 14505.2814 240.3749 -203142.8897 2341.2453 0.0000 0.0000 52338.7600 -109096.3462 300.7916 -161435.1062 -108733.3784 300.3071 -16.5216 9.4853 761793.1053 19.8470 19.6786 PRESSURE: 3239600 150.503 60.0973 -125.59 60.0978 49.5661 74.3281 -125.591 74.328 40.9431 GPRESSURE: 3239600 143.813 2.62216 -59.8772 -14.1062 70.3545 77.09 -53.5172 143.162 111.756 PRESSAVG: 3239600 64.7192 -21.2973 38.8209 -21.2972 -60.4059 9.09741 38.8208 9.09738 -2.81722 GPRESSAVG: 3239600 65.7986 -20.4236 38.4496 -20.6748 -61.4494 9.74259 39.8964 10.1749 -2.86933 TIMING: 3239600 CPU: 10305, 0.00318066/step Wall: 10305, 0.00318066/step, 1.55534 hours remaining, 239.585938 MB of memory in use. ENERGY: 3239600 4003.1872 20458.4594 14549.7883 240.5078 -203109.6277 2524.5117 0.0000 0.0000 52282.0958 -109051.0775 300.4659 -161333.1733 -108676.3740 300.0358 80.3374 108.6412 761645.1306 0.4987 0.4933 PRESSURE: 3239800 -86.3837 58.7195 -246.256 58.7194 187.454 -29.5408 -246.255 -29.5406 -0.187966 GPRESSURE: 3239800 -56.5543 89.5218 -265.727 -54.7222 217.435 -38.7864 -252.071 -83.5959 20.0667 PRESSAVG: 3239800 16.8225 -8.12098 0.164854 -8.121 8.13218 30.0271 0.164778 30.027 -8.17496 GPRESSAVG: 3239800 16.4579 -8.94361 1.4336 -6.68526 8.8611 29.6663 2.00194 27.9318 -8.7595 TIMING: 3239800 CPU: 10305.7, 0.0031876/step Wall: 10305.7, 0.0031876/step, 1.55856 hours remaining, 239.585938 MB of memory in use. ENERGY: 3239800 4020.7380 20486.4278 14519.5159 236.5691 -203339.2666 2706.5087 0.0000 0.0000 52379.0233 -108990.4838 301.0230 -161369.5071 -108632.7429 299.9374 33.6276 60.3159 762315.2071 5.5932 5.5199 PRESSURE: 3240000 -188.772 -205.653 81.8013 -205.652 -59.4071 9.52759 81.8008 9.52645 149.241 GPRESSURE: 3240000 -155.541 -176.899 206.673 -118.19 -49.3133 -69.4044 -17.9209 73.4442 179.246 PRESSAVG: 3240000 26.669 -66.7132 3.59488 -66.7132 -30.0333 5.31621 3.59486 5.31625 -8.54877 GPRESSAVG: 3240000 26.6746 -67.0871 3.21465 -66.3934 -30.1156 4.24591 0.865722 6.80387 -8.49356 TIMING: 3240000 CPU: 10306.3, 0.00316914/step Wall: 10306.3, 0.00316913/step, 1.54935 hours remaining, 239.585938 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: 3240000 4052.4503 20652.8003 14539.2530 238.1709 -202883.1205 2161.7297 0.0000 0.0000 52281.7001 -108957.0162 300.4636 -161238.7163 -108599.5468 300.0311 -32.9795 -8.5362 762270.4167 -3.9710 -3.9782 PRESSURE: 3240200 -156.43 153.083 30.4965 153.083 -164.499 -140.687 30.4963 -140.687 74.7508 GPRESSURE: 3240200 -63.6341 70.1219 89.9712 104.805 -195.312 -173.678 128.578 -209.582 94.0371 PRESSAVG: 3240200 -31.4479 -56.1264 14.1708 -56.1264 25.1019 39.0936 14.1708 39.0935 19.4615 GPRESSAVG: 3240200 -29.8093 -54.5967 13.3446 -58.0158 23.3297 39.6767 16.4918 37.9857 19.3251 TIMING: 3240200 CPU: 10306.9, 0.00317375/step Wall: 10306.9, 0.00317375/step, 1.55143 hours remaining, 239.585938 MB of memory in use. ENERGY: 3240200 3976.9721 20525.2997 14516.0702 251.6471 -203001.2593 2430.6523 0.0000 0.0000 52147.4831 -109153.1348 299.6923 -161300.6179 -108790.6786 300.3285 -82.0595 -54.9696 762010.8609 4.3718 4.2819 LDB: ============= START OF LOAD BALANCING ============== 10319.4 LDB: ============== END OF LOAD BALANCING =============== 10319.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10319.4 LDB: ============= START OF LOAD BALANCING ============== 10319.7 LDB: Largest compute 7031 load 0.038622 is 19.8% of average load 0.195362 LDB: Average compute 0.004415 is 2.3% of average load 0.195362 LDB: TIME 10319.7 LOAD: AVG 0.195362 MAX 0.213444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.348 MB LDB: TIME 10319.7 LOAD: AVG 0.195362 MAX 0.213444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.387 MB LDB: TIME 10319.7 LOAD: AVG 0.195362 MAX 0.213444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.387 MB LDB: ============== END OF LOAD BALANCING =============== 10319.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10319.7 PRESSURE: 3240400 25.7297 -18.6428 133.583 -18.6423 180.222 396.661 133.583 396.661 271.696 GPRESSURE: 3240400 103.54 14.8886 148.896 -2.60621 222.19 425.764 -17.1625 324.74 252.289 PRESSAVG: 3240400 29.7517 -52.3792 10.0653 -52.3791 -17.9878 6.58019 10.0654 6.58016 -15.8148 GPRESSAVG: 3240400 29.3147 -52.276 10.9411 -51.2682 -17.0562 4.68601 8.22716 8.87726 -15.5724 TIMING: 3240400 CPU: 10307.6, 0.00324088/step Wall: 10307.6, 0.00324088/step, 1.58407 hours remaining, 240.742188 MB of memory in use. ENERGY: 3240400 4019.4689 20582.8157 14425.2513 251.7614 -202923.1128 2291.6564 0.0000 0.0000 52122.4491 -109229.7100 299.5484 -161352.1591 -108875.5480 299.7740 159.2159 192.6732 761638.7077 -1.3503 -1.1046 PRESSURE: 3240600 428.758 -21.7725 -149.091 -21.7735 -106.657 0.570414 -149.092 0.570068 252.221 GPRESSURE: 3240600 416.409 -3.75531 -126.712 -49.809 -39.8951 29.6582 -97.4626 118.062 273.843 PRESSAVG: 3240600 -18.0357 -76.9762 -43.6117 -76.9763 18.2353 31.7299 -43.6117 31.73 11.1625 GPRESSAVG: 3240600 -18.8357 -75.1212 -44.2544 -78.6329 18.5647 33.7176 -42.1054 29.792 11.5309 TIMING: 3240600 CPU: 10308.2, 0.00317973/step Wall: 10308.2, 0.00317973/step, 1.554 hours remaining, 240.945312 MB of memory in use. ENERGY: 3240600 4010.9233 20500.5277 14517.7680 243.7149 -202924.0238 2353.0346 0.0000 0.0000 52212.7573 -109085.2980 300.0674 -161298.0553 -108733.4890 299.6112 191.4409 216.7857 761571.8780 3.7874 3.7533 PRESSURE: 3240800 151.422 -5.55952 -167.431 -5.56021 -296.372 344.173 -167.431 344.173 5.06524 GPRESSURE: 3240800 105.99 37.2588 -135.217 -26.3542 -148.85 249.661 -175.202 261.873 -30.182 PRESSAVG: 3240800 15.1192 -21.2009 -25.3644 -21.2008 -56.1656 4.65603 -25.3644 4.65605 -5.24172 GPRESSAVG: 3240800 14.0255 -25.1251 -25.9889 -17.5946 -55.4798 3.80283 -25.212 3.80898 -5.12452 TIMING: 3240800 CPU: 10308.9, 0.00318518/step Wall: 10308.9, 0.00318518/step, 1.55649 hours remaining, 240.945312 MB of memory in use. ENERGY: 3240800 3922.7766 20504.2075 14445.4945 260.3524 -202891.2132 2472.2090 0.0000 0.0000 52123.9907 -109162.1825 299.5573 -161286.1732 -108788.8360 299.4611 -46.6281 -24.3473 761216.2746 -15.4294 -15.5263 PRESSURE: 3241000 -25.8122 85.1157 -63.7681 85.1156 -224.98 200.207 -63.7684 200.207 166.941 GPRESSURE: 3241000 34.2972 59.9332 -117.336 33.3854 -247.19 147.406 -47.1937 135.763 241.557 PRESSAVG: 3241000 27.8178 -2.58284 -44.6667 -2.58286 -28.2304 66.0876 -44.6668 66.0875 12.058 GPRESSAVG: 3241000 28.8867 -2.56894 -44.9975 -1.39827 -29.2204 66.8519 -43.7369 66.3482 12.1315 TIMING: 3241000 CPU: 10309.5, 0.00316866/step Wall: 10309.5, 0.00316866/step, 1.54824 hours remaining, 240.945312 MB of memory in use. ENERGY: 3241000 3991.1937 20504.8472 14544.0542 235.9629 -203419.3564 2526.1552 0.0000 0.0000 52178.1874 -109438.9558 299.8688 -161617.1433 -109084.7598 299.4560 -27.9503 9.5548 760725.0685 3.8818 3.9326 PRESSURE: 3241200 406.633 -245.536 -138.998 -245.536 113.022 15.9917 -138.997 15.9909 -24.222 GPRESSURE: 3241200 341.492 -129.578 -141.821 -214.996 182.19 66.3989 -167.33 82.797 68.8585 PRESSAVG: 3241200 58.156 -14.2962 28.5139 -14.2962 -74.1364 -14.9027 28.5139 -14.9026 25.0864 GPRESSAVG: 3241200 57.9139 -10.995 29.885 -16.4453 -74.3525 -15.9719 26.9389 -13.0855 26.0306 TIMING: 3241200 CPU: 10310.1, 0.00314941/step Wall: 10310.1, 0.00314941/step, 1.53866 hours remaining, 240.945312 MB of memory in use. ENERGY: 3241200 3951.4762 20417.7266 14540.9548 228.2900 -203272.8413 2566.8185 0.0000 0.0000 52265.6517 -109301.9236 300.3714 -161567.5753 -108934.9189 299.3092 165.1441 197.5134 759821.7830 3.0353 3.1973 PRESSURE: 3241400 -176.088 -12.7088 113.096 -12.7082 -79.6313 166.696 113.096 166.695 -272.419 GPRESSURE: 3241400 -110.515 -62.5927 77.3878 39.7014 -90.1597 108.644 65.6103 237.845 -251.155 PRESSAVG: 3241400 38.212 -9.63436 -21.2961 -9.63426 -21.0053 54.429 -21.2961 54.429 -12.7428 GPRESSAVG: 3241400 39.3335 -11.1063 -20.8274 -10.0003 -20.7487 55.5425 -20.5895 54.0585 -13.5385 TIMING: 3241400 CPU: 10310.8, 0.00316041/step Wall: 10310.8, 0.00316041/step, 1.54386 hours remaining, 240.945312 MB of memory in use. ENERGY: 3241400 3961.4780 20668.8581 14449.3631 254.3273 -203388.0795 2733.1163 0.0000 0.0000 52110.7731 -109210.1637 299.4813 -161320.9368 -108847.6741 299.5028 -176.0460 -150.6099 761619.3532 1.4880 1.6821 PRESSURE: 3241600 -129.789 -64.2323 -114.553 -64.2327 4.26997 118.264 -114.553 118.264 153.831 GPRESSURE: 3241600 -46.2131 -113.816 -23.8256 -184.371 -70.5653 25.6323 -84.2152 140.844 229.559 PRESSAVG: 3241600 4.80696 -0.313833 -4.36118 -0.313842 -27.9816 -8.61068 -4.36117 -8.6107 3.71644 GPRESSAVG: 3241600 4.02121 0.493048 -3.9875 -1.4676 -27.8262 -10.8402 -5.04196 -8.90514 4.39195 TIMING: 3241600 CPU: 10311.4, 0.00317176/step Wall: 10311.4, 0.00317176/step, 1.54923 hours remaining, 240.945312 MB of memory in use. ENERGY: 3241600 4030.1019 20529.7485 14412.8364 236.8362 -203310.0132 2474.2716 0.0000 0.0000 52266.8717 -109359.3469 300.3784 -161626.2186 -108994.1999 299.8961 9.4373 37.5935 760018.6870 -6.4861 -6.4710 PRESSURE: 3241800 32.677 -35.5179 -164.282 -35.5189 196.089 95.1962 -164.282 95.1966 214.691 GPRESSURE: 3241800 121.626 -7.03052 -169.118 -67.2872 258.059 34.3179 -134.744 59.0766 143.038 PRESSAVG: 3241800 5.27702 9.48428 -62.1058 9.48424 -34.7225 -17.7952 -62.1058 -17.7952 16.2358 GPRESSAVG: 3241800 5.77724 7.9944 -64.1885 10.4039 -34.182 -16.5447 -61.4428 -18.5571 15.0042 TIMING: 3241800 CPU: 10312, 0.00316954/step Wall: 10312, 0.00316954/step, 1.54797 hours remaining, 240.945312 MB of memory in use. ENERGY: 3241800 3977.0206 20537.2738 14499.4144 253.2608 -203163.9112 2427.8399 0.0000 0.0000 51994.9404 -109474.1613 298.8156 -161469.1017 -109108.2183 299.0505 147.8192 174.2409 758724.7866 -4.4032 -4.4669 PRESSURE: 3242000 -23.812 -89.0654 32.0018 -89.0653 -16.0089 149.522 32.0016 149.522 21.1359 GPRESSURE: 3242000 39.1188 -114.469 88.7889 -16.7165 -73.4377 205.832 -42.8782 178.092 106.131 PRESSAVG: 3242000 70.0334 -16.0471 22.7821 -16.047 -65.6706 -17.1932 22.782 -17.1932 -3.83477 GPRESSAVG: 3242000 71.0139 -16.6804 23.0306 -15.5325 -67.3117 -17.0191 25.2294 -19.006 -2.86908 TIMING: 3242000 CPU: 10312.7, 0.00317053/step Wall: 10312.7, 0.00317053/step, 1.54827 hours remaining, 240.945312 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: 3242000 3983.1067 20576.4987 14399.4956 250.5437 -203343.3913 2644.1394 0.0000 0.0000 51901.8443 -109587.7629 298.2806 -161489.6072 -109239.3793 299.0726 -6.2283 23.9373 761445.4475 0.1760 0.2777 PRESSURE: 3242200 103.121 -164.096 212.259 -164.097 -135.822 -100.141 212.259 -100.142 64.854 GPRESSURE: 3242200 111.287 -126.387 147.676 -266.298 -127.977 -73.4586 149.878 -77.5244 142.639 PRESSAVG: 3242200 84.1971 8.27444 -20.016 8.2745 -30.932 -0.322311 -20.016 -0.32226 -41.7436 GPRESSAVG: 3242200 82.7144 7.59201 -19.6018 8.4935 -28.65 -1.54922 -22.1843 2.6605 -42.6867 TIMING: 3242200 CPU: 10313.3, 0.00317842/step Wall: 10313.3, 0.00317842/step, 1.55195 hours remaining, 240.945312 MB of memory in use. ENERGY: 3242200 3979.2892 20582.8375 14419.3510 240.8997 -203137.4338 2390.9198 0.0000 0.0000 52089.2951 -109434.8415 299.3579 -161524.1366 -109070.5889 298.6869 10.7176 41.9831 760422.0384 3.8405 3.7926 PRESSURE: 3242400 -423.608 32.4168 -89.5084 32.4172 -208.994 67.1271 -89.509 67.125 -146.631 GPRESSURE: 3242400 -332.021 69.0454 -112.5 68.2978 -231.182 99.4974 56.0959 35.34 -132.332 PRESSAVG: 3242400 92.5599 -35.7448 -42.6073 -35.7448 -52.6112 2.71829 -42.6074 2.71825 -3.65802 GPRESSAVG: 3242400 91.821 -33.6311 -42.9691 -33.759 -54.026 3.77947 -41.5129 -0.0322182 -1.63361 TIMING: 3242400 CPU: 10313.9, 0.00318671/step Wall: 10313.9, 0.00318671/step, 1.55582 hours remaining, 240.945312 MB of memory in use. ENERGY: 3242400 4025.6365 20418.6581 14454.6489 245.8313 -202905.5273 2322.1732 0.0000 0.0000 52176.8356 -109261.7437 299.8610 -161438.5793 -108892.7353 299.0346 -259.7443 -231.8447 761375.8288 12.0969 12.0538 PRESSURE: 3242600 363.7 1.52833 -108.973 1.52821 -66.6508 -234.168 -108.973 -234.168 290.305 GPRESSURE: 3242600 372.972 -23.3217 -124.186 32.9959 2.17258 -291.505 103.631 -33.2143 279.735 PRESSAVG: 3242600 31.7703 -26.5163 -18.384 -26.5162 -23.3897 -53.7223 -18.384 -53.7224 -9.33875 GPRESSAVG: 3242600 33.1074 -26.5924 -17.1902 -28.9681 -23.072 -53.678 -18.9215 -52.1874 -10.8829 TIMING: 3242600 CPU: 10314.6, 0.00318199/step Wall: 10314.6, 0.00318199/step, 1.55334 hours remaining, 240.945312 MB of memory in use. ENERGY: 3242600 3946.4836 20532.5087 14479.1583 246.8878 -203365.5060 2439.8937 0.0000 0.0000 52193.6430 -109526.9309 299.9576 -161720.5739 -109162.1619 299.3608 195.7849 218.2932 759519.4231 -0.3194 -0.2825 PRESSURE: 3242800 -21.3898 -70.4701 347.131 -70.4708 -167.271 -484.021 347.132 -484.021 228.989 GPRESSURE: 3242800 58.7296 -65.0034 342.875 -68.1698 -198.493 -509.992 167.567 -314.801 260.476 PRESSAVG: 3242800 25.2631 -17.4807 -27.8033 -17.4807 -46.919 -61.6102 -27.8033 -61.6102 28.0397 GPRESSAVG: 3242800 25.4707 -18.3574 -28.7002 -17.6591 -46.8544 -62.147 -27.7289 -61.4555 27.9842 TIMING: 3242800 CPU: 10315.2, 0.00317905/step Wall: 10315.2, 0.00317905/step, 1.55173 hours remaining, 240.945312 MB of memory in use. ENERGY: 3242800 3994.1932 20438.8803 14437.2124 227.1690 -203416.7545 2322.1612 0.0000 0.0000 52425.1511 -109571.9873 301.2881 -161997.1384 -109205.4198 299.4717 13.4427 40.2375 760100.1077 2.1280 2.2002 PRESSURE: 3243000 11.9901 268.972 -162.95 268.971 25.9869 46.7325 -162.95 46.7328 353.946 GPRESSURE: 3243000 88.4011 143.925 -118.293 225.116 102.047 52.914 -31.0616 33.7275 291.713 PRESSAVG: 3243000 49.8388 23.1521 -11.9061 23.1521 -59.9433 10.7086 -11.9061 10.7086 13.5778 GPRESSAVG: 3243000 48.9072 22.9542 -12.0924 24.9337 -59.878 10.9411 -11.2533 12.0359 14.1678 TIMING: 3243000 CPU: 10315.8, 0.00318233/step Wall: 10315.8, 0.00318233/step, 1.55315 hours remaining, 240.945312 MB of memory in use. ENERGY: 3243000 4001.4503 20692.9757 14459.1085 251.9962 -203309.1994 2381.2659 0.0000 0.0000 51981.0060 -109541.3967 298.7356 -161522.4027 -109188.2309 299.6642 130.6410 160.7203 759335.2547 1.1577 1.0657 PRESSURE: 3243200 -209.462 84.9154 -60.147 84.9157 -67.9615 206.189 -60.147 206.19 317.006 GPRESSURE: 3243200 -170.35 -45.712 -78.0166 4.92091 -30.9128 204.063 -257.329 23.3966 333.807 PRESSAVG: 3243200 13.3101 8.79793 -59.1702 8.79795 3.47812 1.54313 -59.1702 1.54311 14.581 GPRESSAVG: 3243200 14.0685 9.29718 -58.3106 5.55674 2.95552 1.84734 -58.8463 -1.30432 14.5102 TIMING: 3243200 CPU: 10316.5, 0.003194/step Wall: 10316.5, 0.003194/step, 1.55867 hours remaining, 240.945312 MB of memory in use. ENERGY: 3243200 3952.9477 20406.1553 14499.1192 226.6760 -203164.5121 2510.4858 0.0000 0.0000 52243.3872 -109325.7409 300.2435 -161569.1281 -108952.3469 299.2103 13.1941 44.1815 760556.9051 10.4564 10.5114 PRESSURE: 3243400 -41.2757 322.146 -3.06465 322.145 200.202 19.5885 -3.06431 19.5872 -250.303 GPRESSURE: 3243400 14.169 203.921 -31.6666 149.94 178.116 2.50534 -14.5443 67.2576 -215.553 PRESSAVG: 3243400 -34.4346 -42.1085 -1.00115 -42.1085 30.9356 39.9117 -1.00118 39.9117 16.9229 GPRESSAVG: 3243400 -33.8134 -43.1073 -2.30421 -40.2611 30.4936 39.8288 -3.57649 40.8305 17.255 TIMING: 3243400 CPU: 10317.1, 0.003188/step Wall: 10317.1, 0.003188/step, 1.55557 hours remaining, 240.945312 MB of memory in use. ENERGY: 3243400 4042.5512 20555.5558 14448.0869 259.4452 -203329.5957 2472.9991 0.0000 0.0000 52114.2044 -109436.7532 299.5010 -161550.9575 -109080.7753 299.9542 -30.4589 -7.7560 760288.1215 4.4746 4.6451 PRESSURE: 3243600 -157.576 61.2652 -96.668 61.2655 202.547 -22.7062 -96.6682 -22.7066 182.157 GPRESSURE: 3243600 -78.2807 39.9889 13.5697 -5.40928 178.641 26.6841 -158.148 -244.048 203.873 PRESSAVG: 3243600 -16.4517 -41.924 -23.6722 -41.924 90.275 27.8693 -23.6722 27.8694 15.5352 GPRESSAVG: 3243600 -17.6124 -40.8544 -24.2667 -42.5159 90.2989 29.5353 -22.0023 28.7442 16.7026 TIMING: 3243600 CPU: 10317.8, 0.00317093/step Wall: 10317.8, 0.00317093/step, 1.54706 hours remaining, 240.945312 MB of memory in use. ENERGY: 3243600 3976.6230 20634.1332 14413.5946 246.1844 -203311.3347 2442.0260 0.0000 0.0000 52227.8462 -109370.9274 300.1541 -161598.7736 -109005.3310 299.5958 75.7095 101.4110 760526.6207 29.7862 29.7964 PRESSURE: 3243800 -132.798 77.3094 20.2306 77.3092 -26.1555 -257.115 20.2312 -257.115 51.9227 GPRESSURE: 3243800 -57.4855 74.0846 60.8979 15.0558 47.4157 -281.859 16.2504 -182.64 -10.4428 PRESSAVG: 3243800 -88.5866 -45.441 -59.188 -45.4411 75.4245 -53.4882 -59.1881 -53.4882 12.368 GPRESSAVG: 3243800 -88.3964 -44.4116 -57.8778 -45.8631 75.8668 -54.3675 -60.2023 -55.1563 11.7887 TIMING: 3243800 CPU: 10318.4, 0.00317871/step Wall: 10318.4, 0.00317871/step, 1.55068 hours remaining, 240.945312 MB of memory in use. ENERGY: 3243800 3971.6510 20653.8474 14473.9682 238.3433 -203493.5326 2355.3130 0.0000 0.0000 52233.3343 -109567.0754 300.1857 -161800.4097 -109192.4972 299.4148 -35.6770 -6.8375 761776.7448 -0.2647 -0.2470 PRESSURE: 3244000 -217.446 44.0908 37.0598 44.0907 -187.575 -47.556 37.0598 -47.5566 -241.65 GPRESSURE: 3244000 -172.955 -115.362 74.6957 77.0507 -239.477 -5.03745 75.1032 -31.6445 -172.553 PRESSAVG: 3244000 7.16768 -2.37901 38.8927 -2.37899 -20.6556 -7.37839 38.8926 -7.37832 -10.8265 GPRESSAVG: 3244000 8.18394 -4.17335 39.46 -1.15287 -20.941 -6.89358 38.9423 -6.00547 -11.2016 TIMING: 3244000 CPU: 10319, 0.00318761/step Wall: 10319, 0.00318761/step, 1.55485 hours remaining, 240.945312 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: 3244000 4018.3646 20639.2201 14504.0410 244.9044 -203268.9123 2256.3380 0.0000 0.0000 52333.4819 -109272.5623 300.7612 -161606.0442 -108907.6091 299.5717 -215.5571 -194.9950 763929.2394 -8.1048 -7.9862 PRESSURE: 3244200 -18.9254 204.003 94.9861 204.004 -184.884 -67.9546 94.9858 -67.9555 -90.515 GPRESSURE: 3244200 -23.7378 103.049 88.7865 262.028 -152.651 -88.6576 82.2633 -149.199 -47.2583 PRESSAVG: 3244200 44.3022 11.9289 -36.6 11.9289 -47.4936 -4.04959 -36.6 -4.04952 -1.53102 GPRESSAVG: 3244200 43.5977 12.4796 -36.6376 13.0281 -46.3841 -4.33997 -36.5803 -5.95569 -2.35819 TIMING: 3244200 CPU: 10319.7, 0.00318599/step Wall: 10319.7, 0.00318599/step, 1.55388 hours remaining, 240.945312 MB of memory in use. ENERGY: 3244200 4003.1514 20668.4380 14539.0395 243.8281 -203145.2858 2413.6966 0.0000 0.0000 52161.4980 -109115.6343 299.7728 -161277.1323 -108755.5683 300.1152 -98.1080 -74.5491 762095.9160 -1.5741 -1.7149 LDB: ============= START OF LOAD BALANCING ============== 10332.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10332.1 LDB: =============== DONE WITH MIGRATION ================ 10332.1 LDB: ============= START OF LOAD BALANCING ============== 10332.4 LDB: Largest compute 7059 load 0.037599 is 19.2% of average load 0.195329 LDB: Average compute 0.004405 is 2.3% of average load 0.195329 LDB: TIME 10332.4 LOAD: AVG 0.195329 MAX 0.21617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10332.4 LOAD: AVG 0.195329 MAX 0.21617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 10332.4 LOAD: AVG 0.195329 MAX 0.21617 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 10332.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10332.5 PRESSURE: 3244400 -130.223 45.3893 93.4207 45.3905 -82.3246 27.0924 93.4201 27.0906 190.953 GPRESSURE: 3244400 66.4536 47.6683 30.6226 99.1276 -62.7046 8.6426 164.979 -7.4756 49.3554 PRESSAVG: 3244400 12.4196 45.651 -24.9652 45.651 6.05229 29.628 -24.9652 29.6279 18.2682 GPRESSAVG: 3244400 12.471 46.0419 -25.5241 44.9903 5.29521 29.0343 -25.4274 32.079 18.9407 TIMING: 3244400 CPU: 10320.3, 0.00325297/step Wall: 10320.3, 0.00325297/step, 1.58637 hours remaining, 240.550781 MB of memory in use. ENERGY: 3244400 3933.7335 20503.8649 14615.2493 248.7563 -203582.6719 2583.6167 0.0000 0.0000 52455.5270 -109241.9244 301.4626 -161697.4514 -108871.1455 300.1451 -7.1984 17.7015 762873.9673 12.2467 12.2357 PRESSURE: 3244600 20.9263 40.8486 -182.758 40.8483 183.395 -113.067 -182.758 -113.068 -122.378 GPRESSURE: 3244600 54.4845 72.4089 -45.3837 63.882 217.476 -157.925 -220.036 -135.716 -97.3839 PRESSAVG: 3244600 13.1098 -11.5856 -44.246 -11.5856 6.27831 3.62629 -44.246 3.62624 -35.1703 GPRESSAVG: 3244600 12.4652 -9.96611 -44.2082 -11.6271 5.7099 3.9959 -41.63 2.02276 -33.4218 TIMING: 3244600 CPU: 10321, 0.00318081/step Wall: 10321, 0.00318081/step, 1.551 hours remaining, 240.550781 MB of memory in use. ENERGY: 3244600 4023.7923 20705.9617 14429.8604 263.3710 -203653.7723 2738.2371 0.0000 0.0000 52235.8145 -109256.7352 300.1999 -161492.5497 -108890.9732 300.0773 27.3145 58.1922 761391.5405 -5.2607 -5.0822 PRESSURE: 3244800 -95.263 -23.5528 -21.7337 -23.5533 -81.5937 113.427 -21.7336 113.429 -310.227 GPRESSURE: 3244800 -71.8928 -26.6591 -5.9541 -34.4605 -60.3513 79.5714 44.9031 70.2878 -260.437 PRESSAVG: 3244800 -22.0935 -27.1392 -10.1047 -27.1393 11.5942 -30.3777 -10.1046 -30.3778 11.4844 GPRESSAVG: 3244800 -22.2988 -27.6719 -10.3854 -27.9123 13.0883 -30.1938 -9.19288 -29.0109 10.2394 TIMING: 3244800 CPU: 10321.6, 0.00318451/step Wall: 10321.6, 0.00318451/step, 1.55262 hours remaining, 240.550781 MB of memory in use. ENERGY: 3244800 4043.9498 20557.7179 14445.2627 263.4506 -203530.6110 2457.7408 0.0000 0.0000 52418.3876 -109344.1016 301.2492 -161762.4892 -108978.3285 299.7852 -162.3613 -130.8936 761133.8845 0.3284 0.3430 PRESSURE: 3245000 -199.79 65.6556 -134.36 65.6555 164.366 170.493 -134.36 170.493 462.853 GPRESSURE: 3245000 -93.2254 -111.065 -143.989 87.8434 132.213 115.507 -106.216 200.629 476.591 PRESSAVG: 3245000 -87.4958 -30.0877 -9.00673 -30.0877 43.3258 -27.3825 -9.00673 -27.3825 -14.6699 GPRESSAVG: 3245000 -85.747 -28.7038 -9.54684 -29.6409 42.8216 -29.4776 -11.2293 -26.0393 -15.2425 TIMING: 3245000 CPU: 10322.2, 0.00318592/step Wall: 10322.2, 0.00318592/step, 1.55314 hours remaining, 240.550781 MB of memory in use. ENERGY: 3245000 4015.7791 20557.0593 14480.3272 254.1804 -203240.0936 2557.3231 0.0000 0.0000 52094.2634 -109281.1611 299.3864 -161375.4245 -108919.3039 299.9245 142.4761 171.8595 760922.2127 -19.6133 -19.3893 PRESSURE: 3245200 -424.19 -143.602 58.7421 -143.602 122.347 -70.3061 58.7418 -70.3056 -2.86308 GPRESSURE: 3245200 -369.907 -64.9162 7.34338 -201.05 144.149 -80.3863 -62.5785 4.00118 1.38913 PRESSAVG: 3245200 -51.4183 6.17322 -19.3511 6.17321 28.7172 11.3523 -19.351 11.3523 1.83447 GPRESSAVG: 3245200 -52.1896 3.09035 -20.3541 5.94057 28.9523 10.8012 -17.8068 14.0007 2.37259 TIMING: 3245200 CPU: 10322.9, 0.00320127/step Wall: 10322.9, 0.00320127/step, 1.56044 hours remaining, 240.550781 MB of memory in use. ENERGY: 3245200 3961.1120 20590.7771 14381.5582 250.0663 -203241.5206 2613.3516 0.0000 0.0000 52072.3398 -109372.3157 299.2605 -161444.6555 -109002.6783 299.5158 -101.5688 -74.7895 762033.5501 -6.9555 -6.9549 PRESSURE: 3245400 -45.4052 194.949 -129.207 194.949 -58.499 145.499 -129.207 145.498 15.5098 GPRESSURE: 3245400 -44.9195 214.224 -134.044 172.902 67.248 95.6056 -47.4559 72.1596 -28.7176 PRESSAVG: 3245400 -64.7998 -23.1762 6.05053 -23.1761 84.0383 -10.7413 6.05053 -10.7413 -5.51009 GPRESSAVG: 3245400 -62.9985 -21.3811 8.66001 -23.8813 83.7242 -9.92843 2.20655 -14.4802 -6.69971 TIMING: 3245400 CPU: 10323.5, 0.00317803/step Wall: 10323.5, 0.00317803/step, 1.54894 hours remaining, 240.550781 MB of memory in use. ENERGY: 3245400 3938.3292 20494.3019 14416.6299 237.9784 -203157.4976 2472.6712 0.0000 0.0000 52240.1077 -109357.4793 300.2246 -161597.5870 -108992.7103 299.4525 -29.4648 -2.1297 760778.0691 4.5761 4.6753 PRESSURE: 3245600 -281.327 -152.143 194.908 -152.143 255.967 103.921 194.908 103.921 -84.5149 GPRESSURE: 3245600 -193.084 -55.4091 204.247 -192.831 196.123 70.4742 171.99 133.171 -43.4055 PRESSAVG: 3245600 -44.1334 -25.8158 -11.5091 -25.8159 -1.36128 -34.0291 -11.5091 -34.029 0.228727 GPRESSAVG: 3245600 -44.6396 -26.3415 -12.4165 -23.9965 -1.80793 -33.2233 -9.63715 -34.3215 1.07345 TIMING: 3245600 CPU: 10324.1, 0.00316978/step Wall: 10324.1, 0.00316978/step, 1.54474 hours remaining, 240.550781 MB of memory in use. ENERGY: 3245600 4007.9724 20552.8953 14512.6589 250.6605 -203388.2686 2647.2713 0.0000 0.0000 52131.5646 -109285.2456 299.6008 -161416.8103 -108915.0782 299.7819 -36.6252 -13.4555 760365.6453 -15.0887 -15.1247 PRESSURE: 3245800 55.5758 33.5324 114.615 33.532 172.421 190.265 114.616 190.265 -85.17 GPRESSURE: 3245800 102.616 -137.581 76.3062 114.591 188.492 276.919 13.0158 138.531 -66.4309 PRESSAVG: 3245800 8.84821 -28.1323 -20.1803 -28.1323 4.96946 -9.31028 -20.1803 -9.31027 12.9282 GPRESSAVG: 3245800 8.16731 -28.6468 -20.4949 -28.8444 5.20029 -9.49808 -20.1301 -9.68679 12.84 TIMING: 3245800 CPU: 10324.8, 0.00317323/step Wall: 10324.8, 0.00317323/step, 1.54625 hours remaining, 240.550781 MB of memory in use. ENERGY: 3245800 4048.9343 20540.0073 14462.9123 237.9348 -203402.8364 2571.9736 0.0000 0.0000 52159.0604 -109382.0137 299.7588 -161541.0742 -109021.3753 300.0499 47.6091 74.8925 760281.4547 8.9153 8.7359 PRESSURE: 3246000 93.5205 60.2292 -107.081 60.2288 -178.012 -138.592 -107.081 -138.591 75.3715 GPRESSURE: 3246000 43.2376 21.7872 -56.7218 62.3653 -50.7971 -123.263 -202.409 -131.296 75.366 PRESSAVG: 3246000 63.4491 -11.8992 13.8276 -11.8992 -29.4161 -61.5787 13.8277 -61.5787 18.0248 GPRESSAVG: 3246000 62.4182 -12.2025 15.2189 -10.837 -28.2241 -61.6474 14.2399 -58.7162 17.3701 TIMING: 3246000 CPU: 10325.4, 0.00316105/step Wall: 10325.4, 0.00316105/step, 1.54013 hours remaining, 240.550781 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: 3246000 3968.7150 20564.9692 14501.1911 249.4314 -203072.0393 2408.1641 0.0000 0.0000 52003.4940 -109376.0744 298.8648 -161379.5684 -109007.6972 299.7100 -3.0399 22.6022 762031.2483 17.3526 17.1880 PRESSURE: 3246200 -200.281 -171.057 45.5694 -171.057 78.5977 -86.2076 45.5688 -86.2075 -52.9223 GPRESSURE: 3246200 -136.782 -102.311 15.8286 -124.331 32.4735 -10.7492 30.4368 16.8478 4.72613 PRESSAVG: 3246200 26.7017 -60.5759 -19.8886 -60.5759 -57.1916 -3.20991 -19.8887 -3.20993 -21.7954 GPRESSAVG: 3246200 27.3034 -61.0807 -18.3931 -62.9771 -58.2048 -1.36863 -18.6196 -3.5038 -21.5637 TIMING: 3246200 CPU: 10326, 0.00316569/step Wall: 10326, 0.00316569/step, 1.54222 hours remaining, 240.550781 MB of memory in use. ENERGY: 3246200 3949.3415 20588.3761 14473.9876 249.8778 -203435.1746 2553.6054 0.0000 0.0000 52296.1952 -109323.7910 300.5470 -161619.9862 -108965.7111 299.6264 -58.2020 -33.1942 762184.2534 -17.4284 -17.4884 PRESSURE: 3246400 157.348 -21.2759 179.464 -21.276 -63.1624 -19.7087 179.463 -19.7087 -50.3785 GPRESSURE: 3246400 192.682 50.6428 135.158 -28.8722 -44.5908 71.2071 105.742 148.484 -11.8385 PRESSAVG: 3246400 57.2305 -25.3245 34.6035 -25.3245 -90.1983 -21.7332 34.6034 -21.7332 -3.00739 GPRESSAVG: 3246400 58.2237 -23.6062 31.8053 -22.404 -89.7855 -24.4177 33.4541 -22.3791 -3.92239 TIMING: 3246400 CPU: 10326.7, 0.00315697/step Wall: 10326.7, 0.00315697/step, 1.53779 hours remaining, 240.550781 MB of memory in use. ENERGY: 3246400 3971.1740 20597.5049 14430.8458 256.6109 -203219.7807 2428.8984 0.0000 0.0000 52105.6606 -109429.0861 299.4519 -161534.7466 -109068.4949 299.4228 14.6025 45.4177 762741.8441 -11.9917 -11.8281 PRESSURE: 3246600 81.6692 98.0872 -160.077 98.0871 -152.784 -77.6346 -160.076 -77.6348 294.189 GPRESSURE: 3246600 108.312 116.183 -200.831 33.3189 -135.768 -4.28012 -86.7345 -5.75038 318.924 PRESSAVG: 3246600 33.0542 -54.1619 31.1402 -54.1619 -97.795 -42.8005 31.1401 -42.8005 21.0969 GPRESSAVG: 3246600 31.6462 -53.6357 32.7694 -55.7166 -97.5673 -42.2913 31.4212 -43.6388 22.5245 TIMING: 3246600 CPU: 10327.3, 0.00319094/step Wall: 10327.3, 0.00319094/step, 1.55416 hours remaining, 240.550781 MB of memory in use. ENERGY: 3246600 3890.4857 20482.4357 14481.5914 239.4181 -203038.3017 2363.5079 0.0000 0.0000 51903.6798 -109677.1830 298.2912 -161580.8628 -109306.2649 298.9482 74.3581 97.1560 762787.7693 -14.5480 -14.4655 PRESSURE: 3246800 296.386 -79.8962 84.91 -79.8955 126.411 -112.202 84.9094 -112.202 160.873 GPRESSURE: 3246800 287.453 -128.749 74.9108 40.9079 225.008 -105.024 -3.64452 -121.048 153.911 PRESSAVG: 3246800 7.7273 -3.90854 -3.28744 -3.90859 -30.9239 17.3003 -3.28747 17.3002 29.6587 GPRESSAVG: 3246800 9.36189 -5.49733 -4.93691 -3.18885 -32.3862 16.1132 -1.74968 17.7844 28.9615 TIMING: 3246800 CPU: 10327.9, 0.00315844/step Wall: 10327.9, 0.00315844/step, 1.53816 hours remaining, 240.550781 MB of memory in use. ENERGY: 3246800 3893.2225 20405.0081 14420.0509 252.0245 -203425.8794 2604.5130 0.0000 0.0000 52129.1072 -109721.9531 299.5867 -161851.0604 -109356.4227 298.5754 194.5567 222.1239 759836.5640 2.1540 1.9791 PRESSURE: 3247000 259.941 -75.6907 56.0226 -75.6908 72.71 238.266 56.0226 238.265 132.321 GPRESSURE: 3247000 330.521 32.6956 52.5499 -108.565 120.73 174.463 173.964 292.663 112.531 PRESSAVG: 3247000 33.6539 -19.4679 11.6257 -19.468 -16.3182 21.2105 11.6257 21.2105 -14.8211 GPRESSAVG: 3247000 32.4791 -17.8002 12.5416 -20.4273 -14.8439 23.9757 9.87358 19.5854 -14.7827 TIMING: 3247000 CPU: 10328.6, 0.00314777/step Wall: 10328.6, 0.00314777/step, 1.53279 hours remaining, 240.550781 MB of memory in use. ENERGY: 3247000 3935.0818 20539.3916 14447.0894 228.0579 -203578.4896 2716.9069 0.0000 0.0000 52030.3786 -109681.5834 299.0193 -161711.9620 -109327.8805 299.1084 154.9906 187.9274 758919.3129 0.8382 0.9508 PRESSURE: 3247200 -290.84 98.4189 -186.166 98.4196 198.483 -9.87591 -186.165 -9.87545 -253.695 GPRESSURE: 3247200 -342.129 37.038 -193.727 60.2199 314.355 -48.0652 -73.9057 -96.7065 -227.6 PRESSAVG: 3247200 5.35999 -26.1882 -12.9637 -26.1883 0.963318 -35.6993 -12.9637 -35.6994 14.8402 GPRESSAVG: 3247200 4.95184 -26.7236 -13.6649 -25.0285 1.4625 -37.9176 -12.9456 -35.8985 14.6541 TIMING: 3247200 CPU: 10329.2, 0.00315765/step Wall: 10329.2, 0.00315765/step, 1.53743 hours remaining, 240.550781 MB of memory in use. ENERGY: 3247200 3985.7512 20551.6278 14518.4301 241.1556 -203353.4782 2353.0264 0.0000 0.0000 52030.2697 -109673.2173 299.0187 -161703.4870 -109315.7352 299.2427 -115.3504 -85.1250 760683.9269 7.0545 7.0228 PRESSURE: 3247400 -138.23 51.849 263.941 51.8488 -18.2881 -129.529 263.941 -129.53 -126.136 GPRESSURE: 3247400 37.8248 2.54442 256.906 142.548 -72.8873 -169.018 124.152 -103.253 -180.776 PRESSAVG: 3247400 3.86012 -33.6643 20.8933 -33.6642 2.44001 -34.6196 20.8933 -34.6197 3.34245 GPRESSAVG: 3247400 4.20793 -34.8546 20.876 -34.4033 1.74222 -34.5139 20.0427 -33.9376 3.48528 TIMING: 3247400 CPU: 10329.8, 0.00316259/step Wall: 10329.8, 0.00316259/step, 1.53965 hours remaining, 240.550781 MB of memory in use. ENERGY: 3247400 4001.4023 20495.6070 14507.0306 240.5364 -203500.0742 2570.2591 0.0000 0.0000 52137.1508 -109548.0880 299.6329 -161685.2388 -109188.8773 298.8868 -94.2179 -71.9463 761253.6719 3.2142 3.1451 PRESSURE: 3247600 -23.7829 138.791 -69.5586 138.79 195.099 70.798 -69.5588 70.7977 53.523 GPRESSURE: 3247600 49.1177 158.939 -28.0754 21.1418 176.269 80.736 -161.641 155.958 101.343 PRESSAVG: 3247600 20.2069 3.69941 24.2589 3.69943 30.7605 -2.55469 24.2589 -2.55463 -7.50641 GPRESSAVG: 3247600 21.1043 4.92529 24.8167 3.90313 30.5226 -3.94064 26.1004 0.00907982 -7.4548 TIMING: 3247600 CPU: 10330.5, 0.0031532/step Wall: 10330.5, 0.0031532/step, 1.53491 hours remaining, 240.550781 MB of memory in use. ENERGY: 3247600 4051.1173 20436.0216 14422.1266 233.6911 -203369.0323 2578.0335 0.0000 0.0000 52049.3373 -109598.7050 299.1283 -161648.0423 -109235.1933 299.0242 74.9464 108.9097 760355.2704 14.4870 14.7240 PRESSURE: 3247800 220.624 42.5761 -165.985 42.5758 -179.88 165.342 -165.985 165.342 -72.8837 GPRESSURE: 3247800 205.788 130.234 -185.856 85.4467 -99.5805 91.6488 -137.743 182.414 -50.9403 PRESSAVG: 3247800 -53.5137 17.2226 -19.5866 17.2225 45.1295 22.7653 -19.5866 22.7654 -15.249 GPRESSAVG: 3247800 -54.4368 18.939 -18.6898 16.0676 46.4924 24.6575 -21.9138 20.2514 -15.6933 TIMING: 3247800 CPU: 10331.1, 0.00316047/step Wall: 10331.1, 0.00316047/step, 1.53827 hours remaining, 240.550781 MB of memory in use. ENERGY: 3247800 3929.2350 20421.2447 14402.8472 251.5428 -203244.8316 2420.5513 0.0000 0.0000 51939.4848 -109879.9258 298.4969 -161819.4106 -109517.4803 298.5961 -10.7131 18.4223 761225.5957 -7.8777 -7.8792 PRESSURE: 3248000 276.772 48.2707 -203.701 48.2711 355.539 -236.062 -203.702 -236.063 -276.077 GPRESSURE: 3248000 233.725 74.6612 -192.252 47.5743 430.971 -241.88 -238.824 -139.513 -205.585 PRESSAVG: 3248000 -23.0804 14.571 -36.6978 14.5709 26.7947 -11.6432 -36.6979 -11.6432 -16.1249 GPRESSAVG: 3248000 -21.812 14.1993 -38.7604 15.5539 24.5654 -11.8948 -36.8255 -11.5742 -15.2881 TIMING: 3248000 CPU: 10331.7, 0.00314163/step Wall: 10331.7, 0.00314163/step, 1.52893 hours remaining, 240.550781 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: 3248000 3945.6976 20538.4060 14497.0192 268.1012 -203642.3562 2620.5781 0.0000 0.0000 51884.0922 -109888.4619 298.1786 -161772.5541 -109527.8332 298.1443 118.7445 153.0369 759616.6086 -4.1369 -4.1783 PRESSURE: 3248200 -35.8195 89.9995 -36.0581 89.9994 -119.589 133.472 -36.0582 133.472 323.302 GPRESSURE: 3248200 36.6828 77.7783 -62.5912 154.358 -133.842 192.218 -35.9506 96.8642 347.857 PRESSAVG: 3248200 36.7136 19.5897 -25.9588 19.5897 -17.4843 -6.04101 -25.9588 -6.04095 -11.1419 GPRESSAVG: 3248200 36.5277 19.8608 -25.5456 18.5841 -17.1455 -5.85408 -25.7933 -4.68599 -10.9973 TIMING: 3248200 CPU: 10332.4, 0.00315968/step Wall: 10332.4, 0.00315968/step, 1.53753 hours remaining, 240.550781 MB of memory in use. ENERGY: 3248200 4004.4542 20530.7364 14481.4232 254.8748 -203016.3975 2041.9460 0.0000 0.0000 51800.0065 -109902.9564 297.6953 -161702.9629 -109555.4678 298.2696 55.9644 83.5658 759600.3187 2.6958 2.7950 LDB: ============= START OF LOAD BALANCING ============== 10344.8 LDB: ============== END OF LOAD BALANCING =============== 10344.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10344.8 LDB: ============= START OF LOAD BALANCING ============== 10345.1 LDB: Largest compute 7059 load 0.035769 is 18.3% of average load 0.195377 LDB: Average compute 0.004375 is 2.2% of average load 0.195377 LDB: TIME 10345.1 LOAD: AVG 0.195377 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.863 MB LDB: TIME 10345.1 LOAD: AVG 0.195377 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: TIME 10345.1 LOAD: AVG 0.195377 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.863 MB LDB: ============== END OF LOAD BALANCING =============== 10345.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10345.1 PRESSURE: 3248400 -112.535 -171.481 119.714 -171.481 -402.973 212.538 119.714 212.538 148.839 GPRESSURE: 3248400 -89.7915 -185.186 167.107 -71.9668 -333.909 117.955 86.7803 175.078 147.436 PRESSAVG: 3248400 13.8408 -15.9333 30.3896 -15.9332 -14.5689 66.4325 30.3896 66.4326 20.3717 GPRESSAVG: 3248400 14.4296 -16.9716 32.4372 -13.3154 -14.3125 66.2058 30.0294 66.2498 19.5037 TIMING: 3248400 CPU: 10333, 0.00322704/step Wall: 10333, 0.00322704/step, 1.57014 hours remaining, 239.835938 MB of memory in use. ENERGY: 3248400 4044.3841 20403.1759 14491.9032 236.2297 -203548.5721 2489.1269 0.0000 0.0000 51756.7852 -110126.9671 297.4470 -161883.7523 -109757.2405 298.0061 -122.2231 -92.0882 760463.2998 6.5479 6.5403 PRESSURE: 3248600 303.194 208.455 -330.025 208.454 -20.5572 60.586 -330.025 60.5861 219.583 GPRESSURE: 3248600 280.735 127.207 -204.347 228.476 67.1302 120.593 -307.174 170.264 237.06 PRESSAVG: 3248600 -20.3986 28.5507 14.6696 28.5508 19.8173 2.5594 14.6696 2.55946 26.3919 GPRESSAVG: 3248600 -21.8042 29.3215 13.746 27.5158 21.0201 3.49141 16.1657 1.11166 25.9703 TIMING: 3248600 CPU: 10333.6, 0.0031568/step Wall: 10333.6, 0.0031568/step, 1.53578 hours remaining, 240.039062 MB of memory in use. ENERGY: 3248600 3968.6802 20539.1722 14466.4102 245.6038 -203380.0431 2441.6262 0.0000 0.0000 51796.9160 -109921.6345 297.6776 -161718.5505 -109558.7935 297.6568 167.4064 194.9752 759508.9730 8.6035 8.3954 PRESSURE: 3248800 111.929 -42.4237 -6.54422 -42.4233 147.517 -30.4699 -6.54398 -30.469 -271.598 GPRESSURE: 3248800 120.375 -81.1035 48.899 -57.3067 125.854 -99.1183 -179.759 -52.8932 -183.774 PRESSAVG: 3248800 -2.62407 10.5364 12.5745 10.5365 14.4373 34.6188 12.5746 34.6188 16.5235 GPRESSAVG: 3248800 -3.35761 11.4702 13.0442 9.93362 13.6978 35.6519 12.2043 33.6235 17.2272 TIMING: 3248800 CPU: 10334.3, 0.00316225/step Wall: 10334.3, 0.00316225/step, 1.53826 hours remaining, 240.039062 MB of memory in use. ENERGY: 3248800 3954.8269 20597.5430 14393.4765 264.3241 -203049.4165 2227.3532 0.0000 0.0000 51896.0965 -109715.7962 298.2476 -161611.8927 -109358.7456 298.9802 -4.0508 20.8183 760717.7532 9.4456 9.1891 PRESSURE: 3249000 119.978 31.3137 -72.6537 31.3135 106.621 -369.985 -72.6538 -369.984 -522.067 GPRESSURE: 3249000 88.8726 -78.6028 -46.5131 62.0956 107.633 -315.572 102.924 -328.976 -414.68 PRESSAVG: 3249000 35.076 -15.0081 -22.858 -15.0081 -35.4389 2.69178 -22.858 2.69181 6.90912 GPRESSAVG: 3249000 36.4762 -15.3539 -21.5148 -14.5947 -36.5841 2.75409 -23.4756 2.41415 6.74318 TIMING: 3249000 CPU: 10334.9, 0.00318406/step Wall: 10334.9, 0.00318406/step, 1.54869 hours remaining, 240.039062 MB of memory in use. ENERGY: 3249000 3914.2676 20457.8950 14486.5190 258.8940 -203410.9352 2566.0356 0.0000 0.0000 51962.0923 -109765.2317 298.6269 -161727.3240 -109411.3364 298.8057 -98.4895 -72.7250 759710.5379 2.1821 2.2118 PRESSURE: 3249200 -184.693 101.987 87.5365 101.986 -267.209 93.6081 87.5366 93.6069 -214.212 GPRESSURE: 3249200 -178.95 64.8666 45.7923 119.398 -257.6 49.0243 110.547 83.6538 -123.232 PRESSAVG: 3249200 -30.8783 -0.217806 -0.08009 -0.217836 4.08929 5.58598 -0.0800901 5.58587 -6.86026 GPRESSAVG: 3249200 -31.8872 0.840127 -1.09197 -2.08899 5.42538 4.97755 0.858643 6.62321 -6.80647 TIMING: 3249200 CPU: 10335.5, 0.00316027/step Wall: 10335.5, 0.00316027/step, 1.53694 hours remaining, 240.039062 MB of memory in use. ENERGY: 3249200 4000.8436 20311.8320 14545.0315 254.1012 -203128.8488 2033.2284 0.0000 0.0000 52231.9393 -109751.8727 300.1777 -161983.8121 -109379.5419 298.9762 -222.0379 -186.5937 760781.6215 -11.2164 -11.0894 PRESSURE: 3249400 -132.312 -133.698 36.9897 -133.698 -349.751 12.9257 36.9891 12.9267 200.618 GPRESSURE: 3249400 -65.3837 -94.9655 61.3358 -152.216 -286.905 -12.211 -83.2393 29.0935 178.509 PRESSAVG: 3249400 26.7142 -3.53217 0.910527 -3.53214 -42.7492 -23.1757 0.910589 -23.1758 -6.04065 GPRESSAVG: 3249400 26.8738 -5.66653 0.39897 -1.83833 -42.6685 -23.1627 0.314115 -23.485 -6.2518 TIMING: 3249400 CPU: 10336.2, 0.00317186/step Wall: 10336.2, 0.00317186/step, 1.5424 hours remaining, 240.039062 MB of memory in use. ENERGY: 3249400 4025.9821 20518.2707 14489.1932 230.3218 -203357.9953 2364.4636 0.0000 0.0000 51979.4088 -109750.3551 298.7264 -161729.7639 -109399.8741 298.8624 -93.8150 -57.9267 759940.2253 -7.3585 -7.3488 PRESSURE: 3249600 -67.9689 89.8149 -65.9389 89.815 57.9918 -0.101759 -65.9381 -0.100425 25.59 GPRESSURE: 3249600 -35.8188 126.892 -47.2619 27.5648 84.5435 18.8448 -230.883 -89.1389 41.3049 PRESSAVG: 3249600 15.192 30.8718 16.0387 30.8717 -16.6931 -43.0021 16.0387 -43.0021 23.8347 GPRESSAVG: 3249600 15.5493 32.1539 18.1477 30.4292 -16.8655 -43.0288 14.1806 -42.3418 23.434 TIMING: 3249600 CPU: 10336.8, 0.00313469/step Wall: 10336.8, 0.00313469/step, 1.52416 hours remaining, 240.039062 MB of memory in use. ENERGY: 3249600 3958.3144 20506.6687 14501.7494 240.8064 -203148.1067 2348.2649 0.0000 0.0000 51835.2683 -109757.0345 297.8980 -161592.3028 -109407.4955 298.5134 5.2043 30.0099 760196.1500 7.4445 7.3726 PRESSURE: 3249800 245.884 -23.6349 -126.001 -23.6344 100.41 237.849 -126 237.849 145.774 GPRESSURE: 3249800 282.309 -11.2568 -77.2885 -42.6963 12.9495 308.647 -159.472 152.39 271.473 PRESSAVG: 3249800 -7.60505 37.6969 66.5511 37.6969 -10.1434 -33.7058 66.5512 -33.7057 2.74475 GPRESSAVG: 3249800 -9.08365 36.2926 65.1042 35.7407 -10.1447 -35.0893 67.0999 -33.6398 4.24861 TIMING: 3249800 CPU: 10337.4, 0.00313871/step Wall: 10337.4, 0.00313871/step, 1.52594 hours remaining, 240.039062 MB of memory in use. ENERGY: 3249800 3976.7534 20461.2365 14410.7773 250.3870 -203465.2034 2396.3534 0.0000 0.0000 52078.4639 -109891.2318 299.2956 -161969.6957 -109521.6776 298.3523 164.0225 188.9105 760451.7299 -5.0012 -4.9932 PRESSURE: 3250000 -235.986 197.849 60.143 197.849 -28.3925 -173.821 60.1427 -173.822 -40.5728 GPRESSURE: 3250000 -121.498 152.998 79.427 240.146 -65.7254 -97.2896 114.854 -180.808 -39.0664 PRESSAVG: 3250000 -20.6769 -25.1938 43.958 -25.1938 -19.6639 -44.2802 43.958 -44.2801 2.6706 GPRESSAVG: 3250000 -20.0731 -24.4504 44.8019 -25.2122 -18.9808 -43.7486 43.134 -44.5167 2.06262 TIMING: 3250000 CPU: 10338.1, 0.00315673/step Wall: 10338.1, 0.00315673/step, 1.53452 hours remaining, 240.039062 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: 3250000 4020.0926 20495.3365 14504.0634 224.7296 -203618.4522 2635.5745 0.0000 0.0000 51917.7274 -109820.9282 298.3719 -161738.6557 -109462.1423 298.0953 -101.6503 -75.4300 760450.2732 -12.5567 -12.3304 PRESSURE: 3250200 -274.049 -21.2004 -104.245 -21.2014 238.379 -70.0805 -104.245 -70.0813 416.377 GPRESSURE: 3250200 -102.434 -44.4261 -125.968 1.07138 220.72 -36.4597 -74.8384 55.7232 364.777 PRESSAVG: 3250200 9.29795 2.6706 -16.1211 2.67061 -30.3437 -39.6119 -16.1211 -39.6118 4.83058 GPRESSAVG: 3250200 9.9508 3.34206 -16.0743 4.95801 -29.3174 -39.413 -15.789 -38.8481 3.34953 TIMING: 3250200 CPU: 10338.7, 0.0031537/step Wall: 10338.7, 0.0031537/step, 1.53287 hours remaining, 240.039062 MB of memory in use. ENERGY: 3250200 4018.3588 20337.5960 14509.3404 236.7305 -203606.8679 2741.1182 0.0000 0.0000 52124.2618 -109639.4621 299.5588 -161763.7239 -109274.9763 298.6649 126.9023 161.0211 760051.5996 -5.4051 -5.3390 PRESSURE: 3250400 -139.841 -170.192 27.2324 -170.192 -75.9932 -291.366 27.2322 -291.366 43.6575 GPRESSURE: 3250400 -54.2228 -103.714 -48.343 -83.6713 -74.2144 -255.771 81.4039 -234.386 52.5851 PRESSAVG: 3250400 13.5201 -24.3751 -14.758 -24.3751 -10.522 -0.00755245 -14.758 -0.00755853 31.6803 GPRESSAVG: 3250400 14.4821 -24.5127 -16.475 -24.1061 -12.082 -0.871078 -13.4581 0.52843 32.5486 TIMING: 3250400 CPU: 10339.3, 0.00315338/step Wall: 10339.3, 0.00315338/step, 1.53254 hours remaining, 240.039062 MB of memory in use. ENERGY: 3250400 4007.8347 20523.3958 14508.0962 254.3003 -203144.4691 2394.6705 0.0000 0.0000 52130.8206 -109325.3509 299.5965 -161456.1715 -108959.9916 299.7768 -57.3922 -25.2840 758829.7428 11.5595 11.6496 PRESSURE: 3250600 114.663 123.037 156.614 123.037 24.0508 48.31 156.612 48.3094 66.3052 GPRESSURE: 3250600 83.2752 154.055 182.193 31.552 106.545 7.08232 192.625 -21.5112 110.672 PRESSAVG: 3250600 -29.3665 41.6583 13.1777 41.6584 -1.55906 -31.3962 13.1778 -31.3961 7.8711 GPRESSAVG: 3250600 -29.5254 41.4904 14.1509 37.984 -1.80915 -30.0782 13.1759 -30.9964 7.60487 TIMING: 3250600 CPU: 10339.9, 0.00315946/step Wall: 10339.9, 0.00315946/step, 1.53532 hours remaining, 240.039062 MB of memory in use. ENERGY: 3250600 4009.8094 20547.9860 14514.4451 248.3115 -203176.3887 2500.1811 0.0000 0.0000 52010.9816 -109344.6741 298.9078 -161355.6557 -108991.0213 299.3042 68.3396 100.1639 759744.7475 -7.6848 -7.9099 PRESSURE: 3250800 -44.0515 35.6604 58.966 35.6595 17.8779 -22.2268 58.9659 -22.227 98.8116 GPRESSURE: 3250800 38.3677 -63.1463 -11.0306 -125.945 58.9604 -19.7662 87.0731 -34.6609 80.7675 PRESSAVG: 3250800 -2.34496 -88.3277 47.7112 -88.3276 -41.7281 -19.3342 47.7113 -19.3342 10.883 GPRESSAVG: 3250800 -3.33253 -89.6428 46.9147 -86.0864 -41.3199 -20.7666 47.5644 -18.4807 11.2822 TIMING: 3250800 CPU: 10340.6, 0.00316803/step Wall: 10340.6, 0.00316803/step, 1.53931 hours remaining, 240.039062 MB of memory in use. ENERGY: 3250800 3975.2815 20491.2947 14473.8467 235.8085 -203354.1832 2650.0474 0.0000 0.0000 52064.1447 -109463.7597 299.2134 -161527.9044 -109103.2420 299.0455 24.2127 59.3652 760650.9402 -11.0633 -11.1234 PRESSURE: 3251000 164.1 45.6536 22.3734 45.6541 360.58 12.0595 22.3725 12.0585 202.953 GPRESSURE: 3251000 166.662 72.646 -86.5599 160.62 411.447 61.8085 78.5303 1.49427 230.568 PRESSAVG: 3251000 -21.3821 9.52091 3.27389 9.52093 34.8678 -7.78324 3.27391 -7.78334 -32.7704 GPRESSAVG: 3251000 -20.4525 9.97845 3.2952 9.72823 35.2729 -6.20803 4.88829 -10.2709 -34.516 TIMING: 3251000 CPU: 10341.2, 0.00314609/step Wall: 10341.2, 0.00314609/step, 1.52847 hours remaining, 240.039062 MB of memory in use. ENERGY: 3251000 4047.1993 20464.3219 14543.3389 248.4709 -203383.6843 2607.9981 0.0000 0.0000 51800.3101 -109672.0451 297.6971 -161472.3552 -109309.3241 299.3058 242.5442 269.5591 758699.0454 -6.4282 -6.5652 PRESSURE: 3251200 133.209 -36.4135 30.4447 -36.4135 120.584 138.186 30.4449 138.186 123.23 GPRESSURE: 3251200 155.024 19.1412 54.659 0.820642 160.897 51.7605 141.738 70.0877 150.601 PRESSAVG: 3251200 -38.2415 0.563701 19.1639 0.563742 41.7361 -13.6691 19.1639 -13.6691 -4.67628 GPRESSAVG: 3251200 -39.4179 0.208414 20.8299 -0.0577814 42.4781 -14.009 17.086 -13.4239 -3.57038 TIMING: 3251200 CPU: 10341.8, 0.00316682/step Wall: 10341.8, 0.00316682/step, 1.53837 hours remaining, 240.039062 MB of memory in use. ENERGY: 3251200 3936.4706 20336.9248 14460.1223 233.5316 -203958.9249 2776.8322 0.0000 0.0000 52367.3882 -109847.6552 300.9561 -162215.0434 -109487.9322 298.5928 125.6744 155.5077 760391.1145 -0.3939 -0.1700 PRESSURE: 3251400 -100.999 -96.6692 83.1823 -96.6692 73.1967 -19.3385 83.1813 -19.3384 213.081 GPRESSURE: 3251400 -94.916 -90.9641 55.7934 -104.396 186.23 22.3713 60.0172 -89.0027 181.939 PRESSAVG: 3251400 23.8347 -23.9074 18.7589 -23.9073 -13.1001 -5.3624 18.7589 -5.36241 25.8159 GPRESSAVG: 3251400 23.8921 -24.3379 19.2067 -22.757 -12.3878 -4.72927 18.7524 -6.62409 25.7454 TIMING: 3251400 CPU: 10342.5, 0.00318281/step Wall: 10342.5, 0.00318281/step, 1.54596 hours remaining, 240.039062 MB of memory in use. ENERGY: 3251400 3994.2537 20504.5867 14480.4040 232.7592 -203222.5829 2284.2023 0.0000 0.0000 51978.4947 -109747.8824 298.7211 -161726.3771 -109393.0805 298.7335 61.7596 91.0843 761248.5083 12.1835 12.4166 PRESSURE: 3251600 -267.255 73.8337 -174.014 73.8344 -130.707 125.626 -174.014 125.626 119.263 GPRESSURE: 3251600 -183.098 149.291 -80.5052 18.1779 -69.6697 151.87 -112.443 143.734 53.6589 PRESSAVG: 3251600 -69.7981 12.6222 9.80316 12.6222 101.607 12.5412 9.80322 12.5412 12.3695 GPRESSAVG: 3251600 -70.3038 12.7528 9.11282 11.1246 101.593 12.4692 10.0282 13.347 12.9139 TIMING: 3251600 CPU: 10343.1, 0.00319343/step Wall: 10343.1, 0.00319343/step, 1.55094 hours remaining, 240.039062 MB of memory in use. ENERGY: 3251600 3986.1709 20629.1892 14549.3633 237.2779 -203085.2797 2321.4994 0.0000 0.0000 51757.5086 -109604.2704 297.4511 -161361.7790 -109240.8668 299.6766 -92.8995 -66.3694 762732.1638 14.7262 14.7343 PRESSURE: 3251800 79.9287 44.2518 164.293 44.2524 -201.637 -112.164 164.292 -112.164 217.489 GPRESSURE: 3251800 108.414 58.5932 112.035 16.4825 -173.196 -120.137 65.6055 -60.92 229.888 PRESSAVG: 3251800 -15.8557 -50.861 27.9647 -50.861 -17.3798 -39.034 27.9647 -39.0342 24.8015 GPRESSAVG: 3251800 -13.5956 -50.8174 28.2171 -49.1636 -19.4656 -40.3348 29.3996 -37.7427 24.0676 TIMING: 3251800 CPU: 10343.8, 0.00318024/step Wall: 10343.8, 0.00318024/step, 1.54436 hours remaining, 240.039062 MB of memory in use. ENERGY: 3251800 3960.1336 20519.8872 14568.2227 222.8225 -203362.0189 2457.6230 0.0000 0.0000 51943.9506 -109689.3793 298.5226 -161633.3299 -109333.2368 299.4361 31.9268 55.0355 761829.7552 -2.8113 -2.9979 PRESSURE: 3252000 -129.517 -88.7073 -188.426 -88.7064 -219.56 175.92 -188.426 175.92 21.8109 GPRESSURE: 3252000 -168.875 -106.196 -173.993 -165.335 -141.529 97.69 -70.0049 213.532 72.1446 PRESSAVG: 3252000 -28.4224 -49.3634 8.01966 -49.3633 -12.4667 -27.418 8.01968 -27.4179 11.075 GPRESSAVG: 3252000 -29.4206 -50.6144 8.85417 -49.4436 -12.4697 -24.8875 7.08169 -28.052 12.2373 TIMING: 3252000 CPU: 10344.4, 0.00317395/step Wall: 10344.4, 0.00317395/step, 1.54113 hours remaining, 240.039062 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: 3252000 4028.2827 20509.0675 14498.4667 251.0146 -203412.0569 2455.3589 0.0000 0.0000 52063.9729 -109605.8935 299.2124 -161669.8665 -109234.6369 299.0472 -109.0886 -79.4197 762653.2286 -9.9381 -9.8843 PRESSURE: 3252200 216.138 64.2534 204.905 64.2531 -144.616 152.287 204.905 152.287 -63.8824 GPRESSURE: 3252200 243.18 25.2493 193.335 120.353 -106.189 76.5297 95.2137 213.173 -60.3718 PRESSAVG: 3252200 -0.102981 -1.59655 24.917 -1.5966 5.32018 -9.00877 24.9171 -9.00873 -5.95392 GPRESSAVG: 3252200 -0.365948 -0.381709 23.0751 -2.74992 5.00624 -10.3519 25.0963 -9.13379 -6.01063 TIMING: 3252200 CPU: 10345, 0.00316674/step Wall: 10345, 0.00316674/step, 1.53745 hours remaining, 240.039062 MB of memory in use. ENERGY: 3252200 3971.7766 20475.2592 14588.4455 238.4572 -203544.1881 2492.3629 0.0000 0.0000 52155.2277 -109622.6590 299.7368 -161777.8866 -109257.1686 299.0145 2.5467 25.5397 760623.8405 -0.2456 -0.4568 LDB: ============= START OF LOAD BALANCING ============== 10357.5 LDB: ============== END OF LOAD BALANCING =============== 10357.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10357.5 LDB: ============= START OF LOAD BALANCING ============== 10357.8 LDB: Largest compute 7031 load 0.037689 is 19.3% of average load 0.195366 LDB: Average compute 0.004412 is 2.3% of average load 0.195366 LDB: TIME 10357.8 LOAD: AVG 0.195366 MAX 0.211421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 10357.8 LOAD: AVG 0.195366 MAX 0.211421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 10357.8 LOAD: AVG 0.195366 MAX 0.211421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 10357.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10357.8 PRESSURE: 3252400 68.1024 151.049 -207.407 151.05 219.963 -97.2275 -207.407 -97.2267 74.2331 GPRESSURE: 3252400 172.843 204.612 -154.936 188.167 234.732 -170.206 -240.769 -23.8497 53.5967 PRESSAVG: 3252400 -21.7567 20.5612 3.68833 20.5612 -41.6477 -11.5454 3.6883 -11.5454 -12.8396 GPRESSAVG: 3252400 -20.0756 20.2168 4.541 22.1278 -41.2363 -13.0193 3.9133 -10.7417 -14.9494 TIMING: 3252400 CPU: 10345.7, 0.00322066/step Wall: 10345.7, 0.00322067/step, 1.56345 hours remaining, 240.039062 MB of memory in use. ENERGY: 3252400 4099.7671 20475.7652 14485.7246 250.6624 -203662.4968 2774.2841 0.0000 0.0000 51929.7663 -109646.5272 298.4411 -161576.2935 -109306.9844 299.0048 120.7660 153.7239 760853.2816 -25.4147 -25.4204 PRESSURE: 3252600 -43.9414 3.73503 -139.072 3.73447 -8.37767 172.88 -139.071 172.881 -33.1226 GPRESSURE: 3252600 -33.6743 29.9803 -106.844 -22.4109 45.938 110.48 -120.22 125.674 0.876181 PRESSAVG: 3252600 18.9964 -20.7613 -28.6214 -20.7614 -17.044 -13.0783 -28.6214 -13.0784 -2.27168 GPRESSAVG: 3252600 17.1756 -20.074 -27.113 -22.7605 -16.9292 -9.61229 -29.7263 -15.4189 -1.1169 TIMING: 3252600 CPU: 10346.3, 0.0031881/step Wall: 10346.3, 0.0031881/step, 1.54747 hours remaining, 240.039062 MB of memory in use. ENERGY: 3252600 3935.0756 20533.3832 14497.5437 238.1752 -203401.7613 2572.2056 0.0000 0.0000 51803.5092 -109821.8687 297.7155 -161625.3779 -109464.7118 298.8132 -28.4806 4.3799 761229.6567 -0.1064 -0.2902 PRESSURE: 3252800 8.43967 23.2194 52.3905 23.22 110.634 -92.2991 52.3895 -92.2995 -199.663 GPRESSURE: 3252800 -8.84753 29.0311 96.2603 65.7181 111.469 -16.0206 104.739 -146.487 -113.533 PRESSAVG: 3252800 -12.7497 -31.3359 11.7557 -31.336 -31.8985 -55.6314 11.7557 -55.6314 5.75521 GPRESSAVG: 3252800 -11.7558 -33.9418 9.68414 -28.8952 -32.534 -56.0856 12.501 -56.5122 5.71946 TIMING: 3252800 CPU: 10346.9, 0.00317193/step Wall: 10346.9, 0.00317193/step, 1.53944 hours remaining, 240.039062 MB of memory in use. ENERGY: 3252800 3946.3816 20523.4431 14498.8075 236.2265 -203829.8771 2550.8439 0.0000 0.0000 51979.8282 -110094.3463 298.7288 -162074.1745 -109733.6221 298.1644 -26.8633 -3.6373 761636.1177 -12.9644 -12.8568 PRESSURE: 3253000 6.34188 -64.8602 77.449 -64.8604 30.3224 -87.2346 77.4498 -87.2344 -302.932 GPRESSURE: 3253000 52.1665 -79.4044 65.2575 29.5835 21.9623 -113.328 55.3415 -16.6092 -268.83 PRESSAVG: 3253000 81.5331 -12.04 31.1132 -12.04 -33.481 -17.9212 31.1132 -17.9213 -15.1215 GPRESSAVG: 3253000 81.9816 -10.0044 32.1428 -13.6654 -33.682 -18.4497 30.4905 -18.3863 -15.1813 TIMING: 3253000 CPU: 10347.6, 0.00315971/step Wall: 10347.6, 0.00315971/step, 1.53333 hours remaining, 240.039062 MB of memory in use. ENERGY: 3253000 4025.3108 20453.0270 14441.8173 265.6374 -204149.7433 2837.0554 0.0000 0.0000 52090.5563 -110036.3390 299.3651 -162126.8953 -109660.7638 298.1983 -88.7560 -64.9006 761932.2939 10.9769 11.0394 PRESSURE: 3253200 -37.0944 -100.872 138.936 -100.873 -310.348 7.2638 138.937 7.26367 322.772 GPRESSURE: 3253200 28.55 -139.833 144.848 -118.256 -213.547 23.9798 130.663 69.5898 241.996 PRESSAVG: 3253200 32.4507 -64.4459 106.008 -64.4459 -25.265 11.8442 106.008 11.8442 7.82732 GPRESSAVG: 3253200 32.9714 -62.1485 104.875 -62.484 -25.7595 11.0471 107.38 16.5305 7.82818 TIMING: 3253200 CPU: 10348.2, 0.00316193/step Wall: 10348.2, 0.00316193/step, 1.53424 hours remaining, 240.039062 MB of memory in use. ENERGY: 3253200 4016.6704 20447.2116 14483.4069 222.5964 -203436.7003 2432.5157 0.0000 0.0000 51720.7631 -110113.5362 297.2399 -161834.2993 -109754.2111 297.9588 -8.2232 18.9997 760496.7642 5.0043 5.0134 PRESSURE: 3253400 47.2852 -216.353 -161.344 -216.353 12.4484 37.0526 -161.343 37.0522 -133.753 GPRESSURE: 3253400 32.4666 -212.446 -188.861 -111.365 82.9739 83.8534 -41.199 103.352 -89.342 PRESSAVG: 3253400 48.6013 -58.6345 22.7459 -58.6345 -47.6291 -51.6897 22.7459 -51.6897 -0.502771 GPRESSAVG: 3253400 47.7608 -60.0142 22.5257 -60.2064 -46.8038 -52.5515 21.8916 -53.1532 -0.789809 TIMING: 3253400 CPU: 10348.8, 0.00316705/step Wall: 10348.8, 0.00316705/step, 1.53655 hours remaining, 240.039062 MB of memory in use. ENERGY: 3253400 4152.8867 20310.5665 14465.0905 236.9525 -203802.8589 2666.0447 0.0000 0.0000 51809.4854 -110161.8325 297.7498 -161971.3179 -109803.7583 297.5988 -24.6731 8.6995 760191.2878 0.1565 0.0557 PRESSURE: 3253600 -144.47 -107.25 98.5311 -107.249 352.211 28.3279 98.531 28.3269 66.8509 GPRESSURE: 3253600 -3.95933 -215.797 14.8156 -179.603 323.965 76.2272 85.851 -61.039 59.6034 PRESSAVG: 3253600 18.1548 -73.4088 2.3116 -73.4088 -53.3533 -23.3949 2.31158 -23.395 -13.6926 GPRESSAVG: 3253600 17.0987 -75.6937 2.18585 -72.6682 -52.0532 -22.4784 3.20642 -24.9259 -13.8699 TIMING: 3253600 CPU: 10349.5, 0.00317929/step Wall: 10349.5, 0.00317929/step, 1.54231 hours remaining, 240.039062 MB of memory in use. ENERGY: 3253600 3939.9152 20475.6520 14503.0928 239.4715 -203781.9120 2563.7776 0.0000 0.0000 52003.0979 -110056.9051 298.8625 -162060.0029 -109701.1895 297.8853 91.5304 126.5363 761339.8061 -16.2970 -16.2748 PRESSURE: 3253800 -84.0446 -189.909 95.6396 -189.909 -227.4 11.5644 95.6392 11.5659 28.3861 GPRESSURE: 3253800 -134.049 -83.4366 133.859 -163.425 -97.1236 100.023 144.346 -49.4915 45.5646 PRESSAVG: 3253800 19.1036 -53.3791 6.43057 -53.3791 -29.3402 -90.7841 6.43062 -90.784 -18.3775 GPRESSAVG: 3253800 20.0339 -52.3556 6.71372 -53.724 -29.7785 -89.6951 4.68526 -87.5536 -18.5033 TIMING: 3253800 CPU: 10350.1, 0.00318271/step Wall: 10350.1, 0.00318271/step, 1.54379 hours remaining, 240.039062 MB of memory in use. ENERGY: 3253800 3950.9842 20394.1075 14524.1551 236.2449 -203659.0267 2455.0081 0.0000 0.0000 52024.4799 -110074.0470 298.9854 -162098.5269 -109713.3950 297.8230 -94.3529 -61.8692 760655.1950 -9.5380 -9.4160 PRESSURE: 3254000 24.3236 -3.29406 -171.237 -3.29383 -270.376 -52.6291 -171.237 -52.6288 92.7744 GPRESSURE: 3254000 19.0963 -64.7565 -200.488 -33.6517 -190.532 -140.747 -47.0352 -154.416 99.4586 PRESSAVG: 3254000 28.6286 -33.4715 7.76035 -33.4715 -48.9081 -16.4952 7.76042 -16.4952 -15.7447 GPRESSAVG: 3254000 28.0491 -30.171 8.63872 -34.6316 -49.0158 -16.9824 11.2794 -20.7907 -15.1858 TIMING: 3254000 CPU: 10350.7, 0.00315397/step Wall: 10350.7, 0.00315396/step, 1.52967 hours remaining, 240.039062 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: 3254000 3962.4920 20359.5115 14474.0078 243.5638 -203565.7944 2359.3095 0.0000 0.0000 52322.5765 -109844.3332 300.6986 -162166.9098 -109487.3881 298.4634 -51.0927 -23.9922 761591.6779 -12.0081 -12.0508 PRESSURE: 3254200 -243.61 32.4319 -58.5815 32.4311 124.373 -398.447 -58.5823 -398.448 -197.964 GPRESSURE: 3254200 -123.746 0.584785 -125.054 49.8002 72.4847 -417.443 -128.805 -356.422 -168.579 PRESSAVG: 3254200 -5.36538 -32.2507 7.49278 -32.2508 -0.965313 -44.0402 7.49279 -44.0401 0.976082 GPRESSAVG: 3254200 -6.49281 -34.8765 8.90321 -31.4844 -0.843465 -44.4312 5.14937 -43.0933 2.37492 TIMING: 3254200 CPU: 10351.4, 0.00319747/step Wall: 10351.4, 0.00319747/step, 1.5506 hours remaining, 240.039062 MB of memory in use. ENERGY: 3254200 4055.9655 20463.4426 14514.6589 235.6802 -203003.0208 2272.4056 0.0000 0.0000 51726.2660 -109734.6019 297.2716 -161460.8679 -109369.5071 298.5355 -105.7335 -73.2801 761236.3535 -1.7849 -1.6538 PRESSURE: 3254400 353.236 -72.599 252.315 -72.598 68.3987 -141.948 252.314 -141.948 -119.02 GPRESSURE: 3254400 481.095 -55.7794 223.856 -26.7982 92.0311 -92.4891 65.0241 -1.71694 -176.662 PRESSAVG: 3254400 26.2506 -5.08691 5.06533 -5.08697 -4.73948 -27.5498 5.06537 -27.5497 29.3572 GPRESSAVG: 3254400 28.5065 -6.09967 3.33911 -5.56094 -6.19492 -28.3596 5.66956 -25.7079 28.5585 TIMING: 3254400 CPU: 10352, 0.00318475/step Wall: 10352, 0.00318475/step, 1.54425 hours remaining, 240.039062 MB of memory in use. ENERGY: 3254400 3995.6777 20434.6876 14588.3483 227.8701 -203176.7533 2385.7165 0.0000 0.0000 51712.0200 -109832.4332 297.1897 -161544.4532 -109471.5128 298.2557 100.8715 132.1546 761867.4732 16.9561 16.9567 PRESSURE: 3254600 38.6005 -92.7521 -56.6737 -92.7512 11.6879 -72.772 -56.6732 -72.7713 479.656 GPRESSURE: 3254600 0.0840783 -95.0014 -24.7767 -91.9607 103.443 12.2003 -11.7094 -3.11308 524.665 PRESSAVG: 3254600 -19.334 -70.7816 51.7523 -70.7816 16.3429 -12.7395 51.7523 -12.7395 5.28204 GPRESSAVG: 3254600 -19.4743 -69.1598 50.4512 -70.1385 17.5747 -12.1571 51.5481 -11.1845 4.22506 TIMING: 3254600 CPU: 10352.6, 0.00315775/step Wall: 10352.6, 0.00315775/step, 1.53098 hours remaining, 240.039062 MB of memory in use. ENERGY: 3254600 3877.1331 20445.7801 14494.4155 223.7677 -203643.9133 2666.5276 0.0000 0.0000 52340.9530 -109595.3362 300.8042 -161936.2893 -109239.5157 298.6053 176.6482 209.3973 760029.5159 0.7636 0.7751 PRESSURE: 3254800 -508.877 63.6184 -137.478 63.6182 -119.721 -19.4453 -137.478 -19.446 151.116 GPRESSURE: 3254800 -415.529 75.3119 -144.516 66.9298 -120.755 1.46112 -115.277 -50.4074 166.65 PRESSAVG: 3254800 8.85073 -65.4985 19.2279 -65.4986 15.13 -5.64037 19.2278 -5.64038 -12.6151 GPRESSAVG: 3254800 9.12724 -66.0501 21.053 -64.6317 14.4859 -4.18069 17.5531 -8.54441 -12.3661 TIMING: 3254800 CPU: 10353.3, 0.00318242/step Wall: 10353.3, 0.00318242/step, 1.54276 hours remaining, 240.039062 MB of memory in use. ENERGY: 3254800 3968.6939 20294.3469 14575.7106 267.4205 -203044.5060 2286.3077 0.0000 0.0000 51985.6150 -109666.4114 298.7620 -161652.0264 -109304.5050 298.9655 -159.1609 -123.2113 762339.4190 3.7886 3.7490 PRESSURE: 3255000 136.566 98.1055 -135.023 98.1054 34.9147 -10.4513 -135.023 -10.4508 -153.397 GPRESSURE: 3255000 96.7892 83.6237 -143.338 169.059 117.672 -52.9195 -126.146 -15.8434 -119.669 PRESSAVG: 3255000 23.717 17.2928 2.4902 17.2929 -9.37372 12.3636 2.49015 12.3636 2.18629 GPRESSAVG: 3255000 22.8956 15.8489 1.87451 15.6441 -8.53709 11.1767 4.20681 14.586 1.64205 TIMING: 3255000 CPU: 10353.9, 0.00318224/step Wall: 10353.9, 0.00318224/step, 1.5425 hours remaining, 240.039062 MB of memory in use. ENERGY: 3255000 3955.0625 20599.1507 14437.1568 264.6567 -203217.0965 2422.7495 0.0000 0.0000 52108.2173 -109430.1030 299.4666 -161538.3203 -109077.8903 299.6281 6.0279 31.5975 760548.8084 5.5099 5.3335 PRESSURE: 3255200 -248.056 -110.364 -266.183 -110.364 -62.3615 78.3714 -266.182 78.3716 -635.203 GPRESSURE: 3255200 -227.427 -66.4912 -186.217 -234.779 -116.167 57.6758 -151.067 -117.908 -522.504 PRESSAVG: 3255200 -18.3381 1.31114 -6.90076 1.31116 -2.22919 -28.7374 -6.9008 -28.7374 -9.6667 GPRESSAVG: 3255200 -17.9963 2.63125 -7.76203 0.363596 -3.51695 -28.5338 -4.48665 -31.9695 -8.93292 TIMING: 3255200 CPU: 10354.6, 0.00316244/step Wall: 10354.6, 0.00316245/step, 1.53273 hours remaining, 240.039062 MB of memory in use. ENERGY: 3255200 3995.5435 20437.8831 14516.9039 231.9362 -203283.4752 2468.6032 0.0000 0.0000 52127.4442 -109505.1611 299.5771 -161632.6053 -109140.6112 298.8077 -315.2069 -288.6992 760688.1997 -10.0780 -10.1487 PRESSURE: 3255400 -51.3593 -0.524304 84.9675 -0.524932 -247.461 -107.4 84.9676 -107.399 -374.412 GPRESSURE: 3255400 16.9256 26.8185 124.868 84.3189 -183.107 37.4459 81.8226 -69.3219 -412.321 PRESSAVG: 3255400 0.742162 -30.7791 40.6983 -30.7791 26.5027 -48.4613 40.6983 -48.4613 -21.2344 GPRESSAVG: 3255400 0.660845 -29.9342 41.4981 -29.666 26.3602 -48.8933 39.0338 -49.7469 -20.6555 TIMING: 3255400 CPU: 10355.2, 0.0031705/step Wall: 10355.2, 0.0031705/step, 1.53646 hours remaining, 240.039062 MB of memory in use. ENERGY: 3255400 4040.4150 20462.6631 14464.6009 265.7898 -203049.5421 2296.1592 0.0000 0.0000 52068.4406 -109451.4736 299.2380 -161519.9142 -109084.0571 299.3189 -224.4105 -192.8344 761001.8020 2.0035 2.1219 PRESSURE: 3255600 -317.034 143.427 324.832 143.426 -104.009 55.4467 324.832 55.4454 -178.62 GPRESSURE: 3255600 -280.11 144.242 295.484 55.2672 -93.9222 67.26 311.616 -44.1308 -143.302 PRESSAVG: 3255600 30.6209 -51.8145 19.7471 -51.8145 4.55549 -18.3957 19.7471 -18.3956 13.4819 GPRESSAVG: 3255600 30.2002 -51.0322 20.8923 -52.0095 6.05088 -16.4205 18.8684 -17.0291 12.9976 TIMING: 3255600 CPU: 10355.8, 0.00316763/step Wall: 10355.8, 0.00316763/step, 1.53489 hours remaining, 240.039062 MB of memory in use. ENERGY: 3255600 4000.2469 20447.8070 14433.2480 251.7162 -203328.4500 2543.1515 0.0000 0.0000 52076.6902 -109575.5901 299.2855 -161652.2803 -109215.5504 299.0791 -199.8878 -172.4446 761503.8781 16.2194 16.4162 PRESSURE: 3255800 -220.851 82.7195 113.231 82.7199 -253.673 -179.827 113.232 -179.828 -328.815 GPRESSURE: 3255800 -120.941 38.2821 109.152 77.9829 -322.617 -122.705 79.1061 -199.732 -270.249 PRESSAVG: 3255800 32.5225 4.49078 54.1967 4.49068 -9.10384 -11.2345 54.1967 -11.2345 2.00053 GPRESSAVG: 3255800 33.4286 1.70667 53.2057 4.49609 -9.64182 -12.4017 55.9486 -10.0476 1.6601 TIMING: 3255800 CPU: 10356.5, 0.00315798/step Wall: 10356.5, 0.00315798/step, 1.53004 hours remaining, 240.039062 MB of memory in use. ENERGY: 3255800 3978.5012 20382.1293 14422.5174 264.5167 -202741.2132 2176.1437 0.0000 0.0000 51920.1784 -109597.2265 298.3860 -161517.4049 -109236.9615 298.6446 -267.7795 -237.9355 762633.9632 8.4731 8.4823 PRESSURE: 3256000 -60.4939 -167.381 -126.26 -167.381 -38.5356 115.033 -126.259 115.034 -230.822 GPRESSURE: 3256000 -17.4077 -109.376 -67.1656 -19.0729 42.6338 67.5517 -70.6666 24.3567 -262.53 PRESSAVG: 3256000 60.2015 -21.3168 -6.5098 -21.3168 -30.3021 -43.74 -6.50982 -43.7401 -38.4344 GPRESSAVG: 3256000 58.392 -18.6308 -6.88299 -19.4304 -28.6636 -44.367 -6.86019 -45.4946 -37.6233 TIMING: 3256000 CPU: 10357.1, 0.00315441/step Wall: 10357.1, 0.00315441/step, 1.52814 hours remaining, 240.039062 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: 3256000 3912.9610 20402.9036 14485.3272 247.4112 -202798.8933 2149.5220 0.0000 0.0000 52353.8040 -109246.9643 300.8780 -161600.7682 -108881.6779 298.7243 -109.9506 -79.1014 761067.2677 -2.8450 -2.6317 PRESSURE: 3256200 -74.523 115.673 -16.8595 115.672 89.168 12.4581 -16.8598 12.4576 -26.5472 GPRESSURE: 3256200 -7.44372 60.8079 -22.8447 143.34 116.146 -77.7576 -16.0139 -15.7138 -31.292 PRESSAVG: 3256200 19.6755 -8.88986 -12.8702 -8.88987 7.36122 -17.4599 -12.8701 -17.4599 1.93421 GPRESSAVG: 3256200 20.8467 -10.2531 -12.2075 -9.44491 6.93139 -18.5343 -10.7304 -14.6045 1.40578 TIMING: 3256200 CPU: 10357.7, 0.00317445/step Wall: 10357.7, 0.00317445/step, 1.53767 hours remaining, 240.039062 MB of memory in use. ENERGY: 3256200 3929.5870 20519.0621 14533.1589 242.2739 -203210.1433 2592.4914 0.0000 0.0000 51948.1954 -109445.3746 298.5470 -161393.5700 -109077.5285 299.2622 -3.9674 25.8035 760256.4152 9.6570 9.7280 LDB: ============= START OF LOAD BALANCING ============== 10370.2 LDB: ============== END OF LOAD BALANCING =============== 10370.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10370.2 LDB: ============= START OF LOAD BALANCING ============== 10370.5 LDB: Largest compute 7059 load 0.037191 is 19.0% of average load 0.195416 LDB: Average compute 0.004429 is 2.3% of average load 0.195416 LDB: TIME 10370.5 LOAD: AVG 0.195416 MAX 0.214888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10370.5 LOAD: AVG 0.195416 MAX 0.214888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 10370.5 LOAD: AVG 0.195416 MAX 0.214888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 10370.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10370.5 PRESSURE: 3256400 159.891 150.348 252.806 150.349 -8.15578 -5.24712 252.807 -5.24692 -82.2749 GPRESSURE: 3256400 202.891 144.577 168.036 88.8632 57.6307 110.292 121.742 -35.6375 -101.24 PRESSAVG: 3256400 -46.9491 1.64137 11.1091 1.6414 19.5388 -16.8311 11.1092 -16.8312 31.3899 GPRESSAVG: 3256400 -47.915 1.9547 9.71922 0.161199 19.6479 -15.4183 7.58003 -18.1192 32.1751 TIMING: 3256400 CPU: 10358.4, 0.00325083/step Wall: 10358.4, 0.00325083/step, 1.57448 hours remaining, 240.039062 MB of memory in use. ENERGY: 3256400 3948.6554 20644.4708 14521.7815 245.7592 -202974.7490 2215.3894 0.0000 0.0000 52074.0725 -109324.6201 299.2704 -161398.6926 -108963.7827 299.2210 23.1535 53.0937 760812.6118 1.3265 1.3026 PRESSURE: 3256600 -304.341 -5.97096 -81.4817 -5.97176 -136.122 224.646 -81.4812 224.646 -145.462 GPRESSURE: 3256600 -147.941 -78.3325 -75.2332 -54.0189 -178.837 245.528 58.6389 87.801 -186.159 PRESSAVG: 3256600 63.3745 10.599 -14.4144 10.599 -87.3127 57.3612 -14.4143 57.3611 0.720689 GPRESSAVG: 3256600 64.9356 9.87919 -12.3083 11.3954 -88.4513 58.4492 -12.6273 56.6358 0.584559 TIMING: 3256600 CPU: 10359, 0.00315526/step Wall: 10359, 0.00315526/step, 1.52802 hours remaining, 240.039062 MB of memory in use. ENERGY: 3256600 3994.7486 20750.6003 14516.6670 254.0171 -202915.2286 2078.7867 0.0000 0.0000 51900.8148 -109419.5941 298.2747 -161320.4089 -109056.3046 298.8601 -195.3084 -170.9789 760423.1195 -7.7391 -7.6437 PRESSURE: 3256800 226.314 -140.799 -380.552 -140.799 211.181 -138.731 -380.552 -138.731 303.69 GPRESSURE: 3256800 313.981 -38.449 -325.223 -89.7683 217.736 -178.306 -328.534 -153.404 286.573 PRESSAVG: 3256800 35.8112 -3.3891 -26.2067 -3.38912 11.5055 35.5588 -26.2067 35.5588 -11.3527 GPRESSAVG: 3256800 36.8817 -1.18912 -27.5763 -2.43668 11.4213 35.47 -25.1318 36.542 -12.3719 TIMING: 3256800 CPU: 10359.6, 0.00315572/step Wall: 10359.6, 0.00315572/step, 1.52807 hours remaining, 240.039062 MB of memory in use. ENERGY: 3256800 4013.5769 20606.2779 14507.3939 244.4632 -203271.8833 2513.4664 0.0000 0.0000 51985.6863 -109401.0186 298.7625 -161386.7050 -109042.0845 299.4221 247.0616 272.7634 759994.0161 11.9880 11.9770 PRESSURE: 3257000 -65.1487 205.157 30.611 205.156 74.2559 195.417 30.6103 195.416 80.625 GPRESSURE: 3257000 36.7244 276.922 115.417 65.484 95.0471 157.866 -9.66243 136.366 78.8264 PRESSAVG: 3257000 9.88644 26.7629 -33.7548 26.763 -0.779053 19.9481 -33.7548 19.9481 -28.2566 GPRESSAVG: 3257000 8.80188 26.8837 -32.8171 25.1721 0.0354964 18.6305 -34.5629 19.7489 -27.4333 TIMING: 3257000 CPU: 10360.3, 0.0031666/step Wall: 10360.3, 0.0031666/step, 1.53316 hours remaining, 240.039062 MB of memory in use. ENERGY: 3257000 4031.8321 20442.6076 14481.6603 269.5478 -203143.5770 2281.2155 0.0000 0.0000 52069.0047 -109567.7091 299.2413 -161636.7138 -109205.4426 299.0987 29.9107 70.1993 759838.5700 -6.3831 -6.1986 PRESSURE: 3257200 -159.043 -88.3386 4.29591 -88.3388 -252.21 165.186 4.29569 165.187 -237.664 GPRESSURE: 3257200 -118.024 -164.437 58.2385 -47.781 -244.898 94.9584 38.2019 169.7 -195.959 PRESSAVG: 3257200 59.9803 9.59383 52.3741 9.59385 -43.6778 11.3861 52.3741 11.3859 17.8954 GPRESSAVG: 3257200 60.126 8.91507 52.0824 11.1365 -43.5304 9.98003 49.9302 12.622 17.3174 TIMING: 3257200 CPU: 10360.9, 0.00317829/step Wall: 10360.9, 0.00317829/step, 1.53864 hours remaining, 240.039062 MB of memory in use. ENERGY: 3257200 4078.2751 20486.4752 14488.2308 255.2342 -203343.5992 2537.3297 0.0000 0.0000 51967.7610 -109530.2932 298.6594 -161498.0541 -109172.1372 299.1945 -216.3058 -186.2935 759348.7859 11.3993 11.3043 PRESSURE: 3257400 -177.406 -62.1548 147.775 -62.1547 36.4444 -97.5967 147.776 -97.5968 -305.62 GPRESSURE: 3257400 -86.0627 -63.195 79.6189 -52.1637 84.9138 -131.268 22.2843 -109.975 -369.384 PRESSAVG: 3257400 -38.8059 31.5658 3.14992 31.5658 37.8284 -19.2942 3.1499 -19.2942 -12.0454 GPRESSAVG: 3257400 -38.6951 29.2767 3.47857 31.665 37.4764 -16.84 4.90189 -20.1384 -12.252 TIMING: 3257400 CPU: 10361.5, 0.00318632/step Wall: 10361.5, 0.00318632/step, 1.54236 hours remaining, 240.039062 MB of memory in use. ENERGY: 3257400 3978.3187 20516.7515 14530.2145 254.5315 -203285.1622 2305.0314 0.0000 0.0000 52065.9294 -109634.3853 299.2236 -161700.3147 -109272.6784 299.2564 -148.8605 -123.5110 760267.4641 -4.3410 -4.4902 PRESSURE: 3257600 22.2081 97.5246 -117.159 97.5244 355.073 252.743 -117.158 252.743 27.9221 GPRESSURE: 3257600 136.555 -8.18279 -175.634 133.197 291.39 294.288 -145.279 153.212 48.8809 PRESSAVG: 3257600 -14.4468 27.6162 2.15263 27.6162 12.137 -20.3339 2.15264 -20.3339 9.72657 GPRESSAVG: 3257600 -14.3759 29.8311 3.22199 27.0026 11.4672 -21.0234 1.14986 -19.9728 10.3755 TIMING: 3257600 CPU: 10362.2, 0.00315942/step Wall: 10362.2, 0.00315942/step, 1.52916 hours remaining, 240.039062 MB of memory in use. ENERGY: 3257600 3972.4695 20509.8686 14491.2621 236.3083 -203704.8535 2750.0202 0.0000 0.0000 51986.1425 -109758.7823 298.7651 -161744.9248 -109389.3523 298.6566 135.0678 158.9422 760821.4921 2.4722 2.4889 PRESSURE: 3257800 -7.41312 -53.6464 -75.4432 -53.6462 -21.8929 50.59 -75.4439 50.5912 5.36532 GPRESSURE: 3257800 46.8417 0.511213 12.9575 24.4606 30.0919 78.5333 -133.443 14.9678 -15.8693 PRESSAVG: 3257800 21.9967 50.2281 -101.821 50.2281 3.12816 10.807 -101.821 10.807 22.4014 GPRESSAVG: 3257800 21.2997 51.6295 -103.221 48.839 4.04438 10.1056 -102.298 9.79255 22.6046 TIMING: 3257800 CPU: 10362.8, 0.00315557/step Wall: 10362.8, 0.00315557/step, 1.52712 hours remaining, 240.039062 MB of memory in use. ENERGY: 3257800 3938.5031 20366.9958 14503.3987 247.4432 -203214.4690 2384.2486 0.0000 0.0000 52013.8181 -109760.0616 298.9241 -161773.8796 -109400.8493 298.4846 -7.9802 20.3548 762007.5273 15.8421 15.9829 PRESSURE: 3258000 -13.2365 -95.4136 222.246 -95.4126 -387.083 171.176 222.246 171.176 338.859 GPRESSURE: 3258000 71.0475 -102.148 179.284 -38.1176 -335.497 91.1991 248.444 153.989 274.291 PRESSAVG: 3258000 47.4457 -5.11108 -14.2585 -5.11101 -36.0696 12.0082 -14.2584 12.0082 -6.06194 GPRESSAVG: 3258000 47.7481 -6.43861 -11.7704 -2.40822 -36.2775 12.0439 -14.3491 13.2726 -6.46619 TIMING: 3258000 CPU: 10363.4, 0.00314061/step Wall: 10363.4, 0.00314061/step, 1.5197 hours remaining, 240.039062 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: 3258000 3888.2627 20546.6901 14513.5770 250.6223 -203880.5774 2685.0065 0.0000 0.0000 52170.1457 -109826.2731 299.8225 -161996.4188 -109454.6719 298.4200 -20.4867 3.2805 759953.4300 1.7714 1.6681 PRESSURE: 3258200 16.2281 -10.692 275.292 -10.6925 -214.65 -72.973 275.291 -72.9738 -36.371 GPRESSURE: 3258200 -17.7265 40.1577 151.934 46.2531 -83.764 -28.2349 377.044 29.6242 -42.0421 PRESSAVG: 3258200 55.877 23.9684 28.5452 23.9684 -42.6906 15.277 28.5452 15.277 -4.30769 GPRESSAVG: 3258200 56.1795 23.694 25.7683 21.7747 -42.8659 14.863 29.693 16.8828 -3.69405 TIMING: 3258200 CPU: 10364.1, 0.00316999/step Wall: 10364.1, 0.00316999/step, 1.53375 hours remaining, 240.039062 MB of memory in use. ENERGY: 3258200 3978.8169 20405.8909 14474.2578 257.2407 -203649.4562 2429.6107 0.0000 0.0000 52027.0101 -110076.6291 298.9999 -162103.6392 -109714.5710 298.2070 -78.2642 -47.8442 759617.3565 2.9596 3.2065 PRESSURE: 3258400 123.972 -16.3831 136.309 -16.3826 -82.7655 37.5477 136.309 37.5487 -140.097 GPRESSURE: 3258400 156.238 -92.8138 64.4926 -55.2118 -29.5874 71.2348 158.921 -45.0958 -141.83 PRESSAVG: 3258400 19.1061 -3.51084 -3.48419 -3.51074 -26.0771 -24.5882 -3.48411 -24.5883 -16.2098 GPRESSAVG: 3258400 18.9759 -2.31427 -2.22845 -3.74935 -24.7811 -23.7555 -3.11902 -27.3528 -17.6366 TIMING: 3258400 CPU: 10364.7, 0.00319571/step Wall: 10364.7, 0.00319571/step, 1.54601 hours remaining, 240.039062 MB of memory in use. ENERGY: 3258400 4000.0403 20408.9090 14494.0989 242.4419 -203465.7327 2334.5290 0.0000 0.0000 51933.6603 -110052.0533 298.4635 -161985.7136 -109699.6435 298.1942 -32.9637 -5.0598 758452.1679 -7.7269 -7.8139 PRESSURE: 3258600 266.37 74.2455 -200.604 74.2457 -119.652 -93.7223 -200.604 -93.7217 -107.639 GPRESSURE: 3258600 296.364 29.0241 -210.535 136.566 -135.363 -67.0961 -149.994 -73.2778 -21.2013 PRESSAVG: 3258600 36.451 11.0355 15.0473 11.0355 -15.1528 -66.8052 15.0474 -66.8052 4.31166 GPRESSAVG: 3258600 36.3561 10.7065 14.4848 10.2266 -15.7603 -68.5221 13.8098 -66.2132 5.45162 TIMING: 3258600 CPU: 10365.3, 0.00318969/step Wall: 10365.3, 0.00318969/step, 1.54292 hours remaining, 240.039062 MB of memory in use. ENERGY: 3258600 3962.9059 20474.5548 14458.5266 228.5930 -203948.5880 2692.0311 0.0000 0.0000 52042.1424 -110089.8342 299.0869 -162131.9766 -109731.3631 298.1184 13.0261 46.5999 759507.4698 8.5366 8.6825 PRESSURE: 3258800 222.702 94.0273 40.711 94.0276 -26.5145 29.232 40.711 29.232 307.534 GPRESSURE: 3258800 187.762 -77.5418 61.5206 78.2215 100.072 142.921 43.0542 20.4612 286.69 PRESSAVG: 3258800 55.1944 -2.00929 -8.45106 -2.00934 -4.25382 1.94101 -8.45106 1.94094 13.3005 GPRESSAVG: 3258800 55.3277 -2.46833 -7.49914 -0.715072 -4.99174 3.56535 -7.10496 1.39406 13.6387 TIMING: 3258800 CPU: 10366, 0.00320648/step Wall: 10366, 0.00320648/step, 1.55087 hours remaining, 240.039062 MB of memory in use. ENERGY: 3258800 3945.9686 20552.4852 14458.7187 243.2346 -203817.9058 2601.4892 0.0000 0.0000 51871.7066 -110144.3029 298.1074 -162016.0096 -109791.0691 298.2338 167.9069 191.5079 758776.6233 21.4137 21.3249 PRESSURE: 3259000 -310.275 125.86 277.871 125.86 -72.5945 326.248 277.871 326.248 98.3986 GPRESSURE: 3259000 -262.346 25.1871 284.633 148.75 -106.306 292.472 106.583 287.194 174.315 PRESSAVG: 3259000 -6.67237 -24.8106 -36.0778 -24.8108 -38.3863 56.2902 -36.0779 56.2902 16.8917 GPRESSAVG: 3259000 -7.341 -25.6117 -36.4674 -25.1129 -37.4914 57.5615 -35.5192 55.8068 17.0727 TIMING: 3259000 CPU: 10366.6, 0.00317701/step Wall: 10366.6, 0.00317701/step, 1.53644 hours remaining, 240.039062 MB of memory in use. ENERGY: 3259000 4076.2191 20429.7434 14543.5132 251.6291 -203959.5121 2464.7672 0.0000 0.0000 52068.5161 -110125.1240 299.2385 -162193.6400 -109758.0298 298.1099 -94.8238 -64.7793 757822.7512 -9.3890 -9.2532 PRESSURE: 3259200 38.5701 195.923 -208.166 195.924 -273.366 1.05589 -208.166 1.05567 120.194 GPRESSURE: 3259200 93.8462 136.904 -41.2953 296.102 -156.238 -25.6305 -276.295 -78.4644 57.8818 PRESSAVG: 3259200 60.6403 1.56509 -7.4441 1.56511 -41.6483 7.36068 -7.44413 7.36061 -1.5311 GPRESSAVG: 3259200 60.2001 2.7127 -5.86112 2.76469 -40.9173 5.05451 -9.92362 9.23816 -1.88808 TIMING: 3259200 CPU: 10367.2, 0.00316094/step Wall: 10367.2, 0.00316094/step, 1.52849 hours remaining, 240.039062 MB of memory in use. ENERGY: 3259200 3906.8207 20572.9090 14593.9750 259.7305 -203362.1442 2500.6547 0.0000 0.0000 51608.8463 -109919.2080 296.5967 -161528.0543 -109572.4595 298.4179 -38.2008 -1.5035 759973.9363 5.8203 5.7982 PRESSURE: 3259400 -73.657 221.206 96.3416 221.207 150.907 -3.37093 96.3409 -3.37077 -110.61 GPRESSURE: 3259400 10.8495 182.607 155.19 179.546 115.341 -15.306 71.2777 -25.9917 -47.7018 PRESSAVG: 3259400 36.8069 -30.0982 20.2435 -30.0982 -47.8904 -14.3248 20.2435 -14.3248 4.88197 GPRESSAVG: 3259400 37.5808 -29.9182 17.2608 -29.3211 -49.9686 -13.4011 21.5004 -16.8098 6.09031 TIMING: 3259400 CPU: 10367.9, 0.00318666/step Wall: 10367.9, 0.00318665/step, 1.54075 hours remaining, 240.039062 MB of memory in use. ENERGY: 3259400 3928.6659 20418.8443 14531.1270 254.4445 -203758.4060 2781.2385 0.0000 0.0000 52238.3024 -109605.7834 300.2142 -161844.0858 -109246.3805 298.8399 -11.1199 26.1629 759802.9907 -2.0672 -2.0992 PRESSURE: 3259600 -100.166 -166.866 -53.5573 -166.866 404.414 -9.65295 -53.5566 -9.65285 -307.204 GPRESSURE: 3259600 -42.868 -99.1763 35.4379 -92.0257 381.459 4.38732 -84.5075 54.7815 -246.517 PRESSAVG: 3259600 54.7988 -0.496635 -4.16159 -0.496576 -52.8596 -46.6971 -4.16159 -46.697 13.9223 GPRESSAVG: 3259600 55.6225 -1.26932 -2.16509 1.27371 -52.8584 -47.3698 -2.59896 -44.4768 12.7301 TIMING: 3259600 CPU: 10368.5, 0.00316909/step Wall: 10368.5, 0.00316909/step, 1.53208 hours remaining, 240.039062 MB of memory in use. ENERGY: 3259600 4002.4925 20382.4950 14547.6296 241.4311 -203318.1492 2479.3381 0.0000 0.0000 52036.0727 -109628.6902 299.0520 -161664.7628 -109272.0039 299.1687 -0.9853 30.6916 759912.4684 5.2872 5.1647 PRESSURE: 3259800 -24.7015 -85.1897 -181.791 -85.1903 -452.538 -125.158 -181.791 -125.158 2.84161 GPRESSURE: 3259800 -34.9357 -83.8453 -236.973 -37.5225 -404.057 -153.307 -86.4594 17.5605 61.8994 PRESSAVG: 3259800 35.2565 14.8254 25.3641 14.8254 10.5588 -8.6756 25.3641 -8.67562 -0.735473 GPRESSAVG: 3259800 34.3111 16.4121 24.1148 11.2486 11.4575 -7.99516 25.5182 -7.83775 -1.03007 TIMING: 3259800 CPU: 10369.2, 0.00317342/step Wall: 10369.2, 0.00317342/step, 1.534 hours remaining, 240.039062 MB of memory in use. ENERGY: 3259800 3971.8652 20528.4427 14409.3122 270.5758 -203111.4837 2385.7012 0.0000 0.0000 52020.1156 -109525.4710 298.9603 -161545.5866 -109164.6128 299.0424 -158.1325 -125.6978 761687.9168 15.0266 14.9128 PRESSURE: 3260000 -127.663 38.8894 398.877 38.8894 -448.724 -18.4444 398.878 -18.4446 -280.496 GPRESSURE: 3260000 -82.7111 -19.9531 395.047 65.6704 -416.168 15.4127 358.885 100.793 -286.478 PRESSAVG: 3260000 -10.622 21.9878 -15.4111 21.9878 18.1636 12.7859 -15.4111 12.7859 31.6902 GPRESSAVG: 3260000 -9.34656 20.8327 -14.9458 25.1121 18.1919 13.9791 -16.0716 12.0915 30.9986 TIMING: 3260000 CPU: 10369.8, 0.00316836/step Wall: 10369.8, 0.00316836/step, 1.53137 hours remaining, 240.039062 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: 3260000 4029.3831 20446.8725 14459.6829 238.3649 -202884.9555 2304.4908 0.0000 0.0000 52044.9815 -109361.1798 299.1032 -161406.1613 -108993.6709 299.2643 -285.6276 -261.7856 762103.9247 13.0772 13.2813 PRESSURE: 3260200 -147.455 -63.0755 -137.7 -63.0765 -219.553 -39.7293 -137.7 -39.7287 -343.268 GPRESSURE: 3260200 -105.56 -153.45 -53.2227 -101.32 -164.676 31.1029 -34.9498 -102.78 -383.906 PRESSAVG: 3260200 13.2208 15.1574 1.4825 15.1574 18.1984 25.4591 1.48253 25.4592 6.36289 GPRESSAVG: 3260200 11.4675 14.9751 1.19534 13.4231 18.6386 23.6159 1.3496 25.6773 8.45502 TIMING: 3260200 CPU: 10370.4, 0.00315985/step Wall: 10370.4, 0.00315985/step, 1.52709 hours remaining, 240.039062 MB of memory in use. ENERGY: 3260200 3990.9424 20483.2180 14495.0854 241.7329 -202617.2207 2208.0875 0.0000 0.0000 51862.0263 -109336.1282 298.0518 -161198.1545 -108978.2861 299.1225 -236.7588 -218.0474 762322.3696 12.5940 12.8537 LDB: ============= START OF LOAD BALANCING ============== 10382.9 LDB: ============== END OF LOAD BALANCING =============== 10382.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10382.9 LDB: ============= START OF LOAD BALANCING ============== 10383.2 LDB: Largest compute 7031 load 0.036207 is 18.5% of average load 0.195295 LDB: Average compute 0.004376 is 2.2% of average load 0.195295 LDB: TIME 10383.2 LOAD: AVG 0.195295 MAX 0.216674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 10383.2 LOAD: AVG 0.195295 MAX 0.216674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.656 MB LDB: TIME 10383.2 LOAD: AVG 0.195295 MAX 0.216674 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.656 MB LDB: ============== END OF LOAD BALANCING =============== 10383.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10383.2 PRESSURE: 3260400 -84.157 -129.417 -49.4121 -129.417 0.220797 235.973 -49.4128 235.974 -231.825 GPRESSURE: 3260400 -58.5575 -113.718 -94.0649 -125.324 5.85706 284.088 -34.2682 103.218 -182.767 PRESSAVG: 3260400 -30.4514 -7.75015 -6.99846 -7.75015 -10.8146 51.1932 -6.9985 51.1933 8.20303 GPRESSAVG: 3260400 -29.7206 -6.65493 -5.76611 -8.09572 -11.0397 51.6978 -7.97054 51.388 7.3734 TIMING: 3260400 CPU: 10371.1, 0.00323578/step Wall: 10371.1, 0.00323578/step, 1.5636 hours remaining, 239.835938 MB of memory in use. ENERGY: 3260400 3945.8863 20590.6626 14464.5146 236.7038 -202720.8549 2186.9798 0.0000 0.0000 52034.0580 -109262.0497 299.0404 -161296.1077 -108903.4097 299.6611 -105.2539 -78.4890 760500.9956 -11.0210 -11.1290 PRESSURE: 3260600 48.6664 97.5181 -11.8168 97.5181 126.245 86.6112 -11.8169 86.6108 -23.9974 GPRESSURE: 3260600 190.512 66.324 -72.7081 75.7941 93.7583 159.595 -37.1491 -29.1126 -43.1251 PRESSAVG: 3260600 5.81315 -56.3352 -19.5445 -56.3353 -4.08795 20.3617 -19.5445 20.3616 3.27768 GPRESSAVG: 3260600 6.14629 -56.5129 -19.9799 -56.8123 -4.03247 19.6105 -19.4814 20.4906 2.73028 TIMING: 3260600 CPU: 10371.7, 0.00316462/step Wall: 10371.7, 0.00316462/step, 1.52904 hours remaining, 240.039062 MB of memory in use. ENERGY: 3260600 3988.6481 20489.4149 14509.1359 247.7213 -203390.1326 2651.5060 0.0000 0.0000 52225.1073 -109278.5991 300.1384 -161503.7064 -108916.9355 299.7607 50.3045 80.3816 759783.0036 1.6676 1.6147 PRESSURE: 3260800 238.561 -162.619 110.252 -162.618 30.062 -25.5265 110.251 -25.5263 -61.704 GPRESSURE: 3260800 158.867 -93.1483 134.734 -136.751 169.213 -20.1612 208.825 -81.497 -43.0458 PRESSAVG: 3260800 20.5496 -22.9658 -21.5771 -22.9657 6.0835 46.6522 -21.5771 46.6521 9.12267 GPRESSAVG: 3260800 19.5623 -21.6369 -21.6721 -21.8788 6.42688 47.3244 -20.0576 45.712 9.22089 TIMING: 3260800 CPU: 10372.3, 0.00316306/step Wall: 10372.3, 0.00316306/step, 1.52811 hours remaining, 240.039062 MB of memory in use. ENERGY: 3260800 3908.5690 20611.8502 14554.8986 265.0805 -203691.0182 2991.7350 0.0000 0.0000 52039.3142 -109319.5707 299.0707 -161358.8849 -108960.7148 300.0430 68.9730 95.0114 761885.4372 11.9186 11.7367 PRESSURE: 3261000 -284.719 105.922 160.18 105.922 -336.614 -63.7021 160.179 -63.7019 -214.644 GPRESSURE: 3261000 -131.957 15.8402 157.818 71.7787 -393.187 -50.7525 133.284 -74.2329 -222.283 PRESSAVG: 3261000 43.4719 -84.7667 6.69816 -84.7667 -19.5005 38.9701 6.69814 38.9702 3.74575 GPRESSAVG: 3261000 43.5208 -84.0266 7.05631 -88.0107 -18.3141 39.6697 7.6993 37.8416 2.92283 TIMING: 3261000 CPU: 10373, 0.00316219/step Wall: 10373, 0.00316219/step, 1.52751 hours remaining, 240.039062 MB of memory in use. ENERGY: 3261000 3983.9969 20532.4392 14543.8509 268.4871 -202957.7100 2111.4073 0.0000 0.0000 52104.9549 -109412.5738 299.4479 -161517.5287 -109049.3410 299.0964 -278.6592 -249.1425 760667.6554 9.2390 9.3765 PRESSURE: 3261200 -89.8215 22.3013 -56.9317 22.3015 5.18993 -63.5443 -56.9327 -63.5441 153.151 GPRESSURE: 3261200 -22.3768 -2.3688 -74.1533 73.8196 -30.544 -118.076 44.5693 -17.2096 197.168 PRESSAVG: 3261200 -1.24002 -4.31074 20.5589 -4.31078 -0.392409 25.8856 20.559 25.8856 3.2319 GPRESSAVG: 3261200 -0.910474 -6.8676 21.0613 -1.0364 -1.35314 24.4147 18.2662 29.1114 4.10892 TIMING: 3261200 CPU: 10373.6, 0.00318458/step Wall: 10373.6, 0.00318458/step, 1.53815 hours remaining, 240.039062 MB of memory in use. ENERGY: 3261200 4029.6785 20542.5191 14487.7894 235.6935 -203128.7925 2115.8967 0.0000 0.0000 52288.7553 -109428.4600 300.5042 -161717.2154 -109053.7912 300.1077 22.8399 48.0826 761610.7903 0.5332 0.6151 PRESSURE: 3261400 107.215 -1.5244 224.644 -1.52379 -278.218 -49.1506 224.645 -49.1511 48.0533 GPRESSURE: 3261400 119.608 62.5959 214.215 4.37928 -238.006 -100.255 265.8 -37.3122 89.0566 PRESSAVG: 3261400 15.0385 -74.7455 3.36703 -74.7455 -17.819 24.6835 3.3671 24.6835 -7.86039 GPRESSAVG: 3261400 13.7498 -70.4072 2.71307 -77.2551 -17.8279 26.2746 1.94034 23.4317 -6.58219 TIMING: 3261400 CPU: 10374.2, 0.00317782/step Wall: 10374.2, 0.00317782/step, 1.53471 hours remaining, 240.039062 MB of memory in use. ENERGY: 3261400 3998.3803 20754.6046 14453.0397 234.6699 -202767.2610 2141.6311 0.0000 0.0000 51893.0578 -109291.8776 298.2301 -161184.9353 -108930.8958 299.6512 -40.9833 -9.7807 761150.9895 -3.5470 -3.5534 PRESSURE: 3261600 90.6333 -90.199 15.0086 -90.1976 425.825 324.745 15.0084 324.744 118.492 GPRESSURE: 3261600 218.208 15.6504 89.0345 -28.5765 363.376 308.728 -14.8989 304.878 137.183 PRESSAVG: 3261600 -0.0585336 -65.7601 17.3607 -65.7601 -4.61221 13.5243 17.3607 13.5242 -13.9925 GPRESSAVG: 3261600 1.73236 -69.3278 17.6695 -63.1094 -4.46601 12.7925 18.3569 15.2945 -15.3658 TIMING: 3261600 CPU: 10374.9, 0.00315756/step Wall: 10374.9, 0.00315756/step, 1.52475 hours remaining, 240.039062 MB of memory in use. ENERGY: 3261600 3998.0039 20597.9823 14510.3299 241.7528 -203355.2515 2593.8955 0.0000 0.0000 52221.6454 -109191.6417 300.1185 -161413.2871 -108824.5401 299.8005 211.6502 239.5891 760713.0696 -6.2211 -6.0331 PRESSURE: 3261800 311.103 11.8087 -110.385 11.8084 78.1975 -262.221 -110.385 -262.222 538.181 GPRESSURE: 3261800 339.105 93.2603 -91.6873 -7.31492 161.637 -270.305 -24.5357 -439.676 515.581 PRESSAVG: 3261800 0.495228 -103.527 22.8039 -103.527 15.166 -9.84246 22.8039 -9.84246 5.91494 GPRESSAVG: 3261800 1.07372 -102.636 22.4538 -104.152 14.8936 -9.17827 23.9125 -12.6991 5.37801 TIMING: 3261800 CPU: 10375.5, 0.00317178/step Wall: 10375.5, 0.00317178/step, 1.53144 hours remaining, 240.039062 MB of memory in use. ENERGY: 3261800 4011.7324 20674.3593 14518.6377 275.2870 -203007.4381 2492.5259 0.0000 0.0000 52008.3346 -109026.5612 298.8926 -161034.8958 -108660.9310 300.0214 309.1607 338.7743 761286.1774 7.1920 7.1151 PRESSURE: 3262000 123.551 -98.9218 12.267 -98.9217 82.604 -132.956 12.2672 -132.956 -213.376 GPRESSURE: 3262000 123.461 -60.8717 -52.0057 -92.4123 71.096 -82.7564 21.5437 -249.568 -120.413 PRESSAVG: 3262000 26.5093 -72.0294 5.6468 -72.0294 -42.2447 36.472 5.64689 36.4719 -5.01499 GPRESSAVG: 3262000 24.7016 -71.4116 4.94177 -73.3141 -42.2359 36.3274 5.77253 36.4511 -2.97689 TIMING: 3262000 CPU: 10376.1, 0.00317715/step Wall: 10376.1, 0.00317715/step, 1.53386 hours remaining, 240.039062 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: 3262000 3973.1302 20554.4471 14511.5510 248.0460 -202819.5894 2339.1885 0.0000 0.0000 51991.2259 -109202.0006 298.7943 -161193.2265 -108851.3895 299.7875 -2.4070 24.7148 762057.7313 -6.9168 -6.8371 PRESSURE: 3262200 368.606 -61.3471 -246.911 -61.3467 43.9047 -47.6444 -246.911 -47.6448 -182.157 GPRESSURE: 3262200 333.109 -48.9487 -281.571 -37.0918 92.6214 39.6171 -203.479 -69.4729 -103.565 PRESSAVG: 3262200 20.4478 -68.942 -17.7751 -68.942 -53.1606 1.65105 -17.7751 1.65105 -10.5264 GPRESSAVG: 3262200 21.1917 -69.4313 -17.7436 -69.6747 -53.167 2.24093 -19.0368 3.38791 -11.4986 TIMING: 3262200 CPU: 10376.8, 0.00318177/step Wall: 10376.8, 0.00318177/step, 1.53591 hours remaining, 240.039062 MB of memory in use. ENERGY: 3262200 4064.4116 20551.5481 14484.6662 269.2714 -203918.3497 2875.6107 0.0000 0.0000 52480.4173 -109192.4244 301.6057 -161672.8417 -108833.4728 299.6721 76.7848 107.3888 759438.8651 -14.4131 -14.4913 PRESSURE: 3262400 -0.0183068 -154.4 62.169 -154.4 -476.011 20.4466 62.1679 20.447 -220.628 GPRESSURE: 3262400 65.8811 -103.193 68.6933 -186.736 -508.181 51.255 -5.63544 6.61985 -198.532 PRESSAVG: 3262400 -7.18825 -33.6097 -11.0213 -33.6096 -27.5568 -54.889 -11.0213 -54.889 -1.01853 GPRESSAVG: 3262400 -6.52629 -34.4638 -9.58483 -31.9806 -28.2352 -57.0562 -11.2539 -55.2105 -1.78946 TIMING: 3262400 CPU: 10377.4, 0.00316384/step Wall: 10377.4, 0.00316384/step, 1.52708 hours remaining, 240.039062 MB of memory in use. ENERGY: 3262400 4045.5683 20670.2331 14504.7456 268.5765 -202856.8778 2264.3188 0.0000 0.0000 52178.2356 -108925.1999 299.8690 -161103.4355 -108574.4660 300.4570 -232.2191 -213.6103 761784.1193 -11.9212 -12.1836 PRESSURE: 3262600 267.027 -110.347 152.137 -110.348 -94.6639 163.695 152.137 163.695 304.973 GPRESSURE: 3262600 270.689 -27.304 301.106 -63.5787 15.4504 272.276 96.3042 131.824 280.887 PRESSAVG: 3262600 47.5709 -57.3411 13.0717 -57.3411 -34.0142 -36.6491 13.0717 -36.649 0.478535 GPRESSAVG: 3262600 45.661 -58.2265 13.2273 -57.5661 -33.0291 -35.8983 14.2627 -36.1986 1.613 TIMING: 3262600 CPU: 10378, 0.00316892/step Wall: 10378, 0.00316892/step, 1.52936 hours remaining, 240.039062 MB of memory in use. ENERGY: 3262600 4074.7871 20505.1545 14457.4738 259.2819 -203108.1547 2551.1311 0.0000 0.0000 52241.0225 -109019.3036 300.2299 -161260.3262 -108657.8043 300.6233 159.1123 189.0088 758909.7290 4.6784 4.7483 PRESSURE: 3262800 -7.65823 151.825 -201.972 151.825 -234.454 -85.301 -201.972 -85.3002 63.5166 GPRESSURE: 3262800 -47.5329 179.742 -198.96 140.861 -133.529 -77.418 -194.684 -206.755 99.3884 PRESSAVG: 3262800 -16.7075 -44.24 46.5156 -44.24 16.9335 -7.45457 46.5156 -7.45452 11.9408 GPRESSAVG: 3262800 -15.8156 -43.8796 43.9789 -44.4376 17.0434 -6.17925 45.997 -7.40827 10.9313 TIMING: 3262800 CPU: 10378.7, 0.00316926/step Wall: 10378.7, 0.00316926/step, 1.52934 hours remaining, 240.296875 MB of memory in use. ENERGY: 3262800 3960.3660 20543.1852 14444.7364 242.4496 -202944.0679 2338.1153 0.0000 0.0000 52549.6735 -108865.5420 302.0037 -161415.2155 -108503.2187 301.0531 -59.5318 -27.2246 760630.1267 4.0556 4.0530 PRESSURE: 3263000 -450.241 -99.8633 41.3866 -99.8632 75.6601 -227.712 41.3874 -227.712 -140.047 GPRESSURE: 3263000 -381.533 -55.5191 14.6799 -91.4781 10.0646 -220.857 187.89 -82.7638 -58.6082 PRESSAVG: 3263000 -57.22 -50.2641 48.0684 -50.2641 40.6563 -55.1462 48.0683 -55.1462 11.0019 GPRESSAVG: 3263000 -55.6286 -51.3025 48.9015 -49.2669 39.5664 -57.0514 49.0012 -55.9134 11.2357 TIMING: 3263000 CPU: 10379.3, 0.00317521/step Wall: 10379.3, 0.00317521/step, 1.53204 hours remaining, 240.296875 MB of memory in use. ENERGY: 3263000 4123.0311 20593.7661 14540.7655 256.9849 -203427.2427 2732.0206 0.0000 0.0000 52177.9070 -109002.7675 299.8671 -161180.6745 -108645.7748 300.9761 -171.5425 -143.3591 761608.2475 -1.8539 -1.6088 PRESSURE: 3263200 -415.558 -267.68 4.82666 -267.68 -417.292 31.3131 4.82826 31.3109 -642.071 GPRESSURE: 3263200 -459.221 -229.712 76.9204 -228.347 -355.93 80.0651 -68.0094 -26.648 -573.5 PRESSAVG: 3263200 -48.923 -47.0831 15.0715 -47.0831 54.6655 -15.7818 15.0715 -15.7818 -0.39804 GPRESSAVG: 3263200 -50.3165 -45.1099 14.9481 -49.8703 55.0137 -15.521 13.5646 -15.594 -0.0218887 TIMING: 3263200 CPU: 10379.9, 0.00317105/step Wall: 10379.9, 0.00317105/step, 1.52986 hours remaining, 240.296875 MB of memory in use. ENERGY: 3263200 4024.8996 20613.8094 14547.2847 245.5700 -202802.8648 2178.9721 0.0000 0.0000 52267.3996 -108924.9295 300.3815 -161192.3291 -108565.5621 300.5976 -491.6403 -462.8840 762487.9472 1.7815 1.5584 PRESSURE: 3263400 -188.369 -191.031 81.5413 -191.031 341.918 -230.138 81.5419 -230.138 65.8294 GPRESSURE: 3263400 -103.473 -34.0313 103.166 -103.419 323.419 -213.095 38.2118 -167.764 67.8511 PRESSAVG: 3263400 4.23614 -74.5084 46.564 -74.5084 6.44611 17.3804 46.5639 17.3804 -4.66608 GPRESSAVG: 3263400 4.99238 -78.1423 46.0905 -70.0531 5.31519 18.3768 49.3359 16.7524 -4.55416 TIMING: 3263400 CPU: 10380.6, 0.0031719/step Wall: 10380.6, 0.0031719/step, 1.53009 hours remaining, 240.296875 MB of memory in use. ENERGY: 3263400 3955.9024 20489.8451 14489.8797 261.3800 -203007.0996 2508.5880 0.0000 0.0000 52416.2005 -108885.3040 301.2366 -161301.5045 -108514.3537 300.8713 73.1261 95.9322 762254.1084 2.0054 1.9178 PRESSURE: 3263600 -455.151 -116.056 21.6594 -116.056 -139.48 -73.0618 21.6592 -73.0606 180.522 GPRESSURE: 3263600 -306.474 36.7703 89.861 -161.789 -151.952 -163.055 20.0666 -54.9719 155.58 PRESSAVG: 3263600 4.11175 -16.5264 22.9043 -16.5263 -37.5405 2.00607 22.9044 2.00613 14.9081 GPRESSAVG: 3263600 3.92503 -15.833 22.5186 -18.2887 -36.4885 1.44025 21.8138 3.04743 14.8622 TIMING: 3263600 CPU: 10381.2, 0.00316721/step Wall: 10381.2, 0.00316721/step, 1.52765 hours remaining, 240.296875 MB of memory in use. ENERGY: 3263600 3932.5908 20528.5340 14478.0007 265.3490 -202896.2115 2383.8222 0.0000 0.0000 52272.4281 -109035.4867 300.4104 -161307.9148 -108670.1823 300.5250 -138.0361 -100.9486 762809.0095 -6.1736 -5.9004 PRESSURE: 3263800 260.055 44.4077 225.283 44.4083 139.513 39.0293 225.283 39.0303 249.757 GPRESSURE: 3263800 282.83 118.883 272.355 -103.524 134.717 -55.1387 130.878 127.645 310.125 PRESSAVG: 3263800 2.01525 -47.7609 50.6661 -47.7609 -20.5528 -8.21896 50.6661 -8.21891 -1.01597 GPRESSAVG: 3263800 2.49036 -47.2223 52.7833 -48.2139 -21.3179 -7.78737 48.0483 -7.32367 -1.24543 TIMING: 3263800 CPU: 10381.8, 0.0031721/step Wall: 10381.8, 0.0031721/step, 1.52983 hours remaining, 240.296875 MB of memory in use. ENERGY: 3263800 3950.3943 20496.5405 14506.2787 256.1994 -203058.8518 2480.5093 0.0000 0.0000 52390.4941 -108978.4355 301.0889 -161368.9296 -108625.8168 299.9866 216.4419 242.5570 761701.8593 -6.5178 -6.6910 PRESSURE: 3264000 70.8241 9.20037 -43.5591 9.20138 -170.738 10.1383 -43.5593 10.1386 440.899 GPRESSURE: 3264000 147.031 20.6096 -157.976 94.4234 -114.394 -47.9856 -9.39567 7.17342 385.462 PRESSAVG: 3264000 -8.16779 -27.5661 33.4488 -27.5662 5.86977 -1.47596 33.4488 -1.47593 8.85816 GPRESSAVG: 3264000 -9.21571 -26.4395 33.7585 -26.5579 7.64365 -2.03974 35.5922 -2.33712 8.03552 TIMING: 3264000 CPU: 10382.5, 0.00316132/step Wall: 10382.5, 0.00316132/step, 1.52446 hours remaining, 240.296875 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: 3264000 3974.3039 20552.1462 14399.6446 264.9136 -202795.8483 2380.6729 0.0000 0.0000 52104.2584 -109119.9088 299.4439 -161224.1672 -108759.5762 300.1451 113.6617 139.3660 761024.5277 2.1867 2.1545 PRESSURE: 3264200 115.08 -46.9838 245.092 -46.9842 304.748 83.0642 245.092 83.0641 541.005 GPRESSURE: 3264200 197.209 146.478 292.039 -23.4104 238.318 70.5622 138.91 78.8241 608.741 PRESSAVG: 3264200 58.5006 -15.2534 27.6225 -15.2535 -57.8759 -43.5072 27.6225 -43.5072 19.0257 GPRESSAVG: 3264200 58.4118 -14.7944 26.9278 -17.1487 -59.7359 -43.5911 25.0518 -43.7668 20.8203 TIMING: 3264200 CPU: 10383.1, 0.00316248/step Wall: 10383.1, 0.00316248/step, 1.52484 hours remaining, 240.296875 MB of memory in use. ENERGY: 3264200 3980.4519 20493.3188 14478.4514 246.1185 -202819.2860 2483.1506 0.0000 0.0000 52081.4188 -109056.3759 299.3126 -161137.7947 -108694.2955 299.7564 320.2773 348.0893 760063.2182 6.5501 6.4987 LDB: ============= START OF LOAD BALANCING ============== 10395.6 LDB: ============== END OF LOAD BALANCING =============== 10395.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10395.6 LDB: ============= START OF LOAD BALANCING ============== 10395.9 LDB: Largest compute 7059 load 0.035887 is 18.4% of average load 0.195364 LDB: Average compute 0.004392 is 2.2% of average load 0.195364 LDB: TIME 10395.9 LOAD: AVG 0.195364 MAX 0.213822 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 10395.9 LOAD: AVG 0.195364 MAX 0.213822 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 10395.9 LOAD: AVG 0.195364 MAX 0.213822 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 10395.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10395.9 PRESSURE: 3264400 -426.416 -112.229 -198.791 -112.229 -229.968 118.224 -198.791 118.225 -223.562 GPRESSURE: 3264400 -379.595 -38.1224 -171.669 -15.6977 -169.152 138.92 -52.6321 57.3303 -220.295 PRESSAVG: 3264400 53.1912 28.0112 30.7695 28.0111 -58.594 21.7149 30.7695 21.7149 1.20486 GPRESSAVG: 3264400 52.6001 26.3785 30.4793 29.9233 -56.4172 20.5651 32.3773 22.5975 0.150154 TIMING: 3264400 CPU: 10383.8, 0.00320969/step Wall: 10383.8, 0.00320969/step, 1.54743 hours remaining, 240.609375 MB of memory in use. ENERGY: 3264400 4018.6105 20438.7131 14485.2230 267.6591 -202796.2115 2247.7795 0.0000 0.0000 52048.4706 -109289.7556 299.1233 -161338.2262 -108934.3639 299.6405 -293.3151 -256.3473 761451.6178 -1.3993 -1.2223 PRESSURE: 3264600 -83.7555 -24.843 127.963 -24.8426 29.4267 112.585 127.963 112.586 89.872 GPRESSURE: 3264600 -51.9609 -124.549 217.14 -82.0067 24.0632 113.859 168.589 41.9811 144.45 PRESSAVG: 3264600 -11.2237 -43.473 -22.6363 -43.473 33.8883 -19.4882 -22.6363 -19.4883 -12.9439 GPRESSAVG: 3264600 -11.2628 -43.7917 -23.8743 -42.3003 32.7735 -19.1137 -22.9286 -20.415 -11.8827 TIMING: 3264600 CPU: 10384.4, 0.00314667/step Wall: 10384.4, 0.00314667/step, 1.51687 hours remaining, 240.609375 MB of memory in use. ENERGY: 3264600 4040.3045 20572.2795 14420.3100 226.4638 -203412.0275 2868.0092 0.0000 0.0000 52019.0061 -109265.6544 298.9539 -161284.6604 -108905.2054 299.4064 11.8477 38.8507 760507.8942 3.2403 3.2093 PRESSURE: 3264800 -48.3248 6.10538 50.3641 6.10588 -7.58123 -246.709 50.3648 -246.708 95.3982 GPRESSURE: 3264800 -15.425 61.0077 159.363 -96.4797 79.4726 -233.469 40.9709 -198.367 59.0864 PRESSAVG: 3264800 -39.9068 -22.1741 41.2176 -22.1742 43.545 -36.2404 41.2176 -36.2403 9.85998 GPRESSAVG: 3264800 -37.8871 -21.4151 43.1337 -22.7654 42.5863 -36.0269 40.9703 -36.0199 9.04958 TIMING: 3264800 CPU: 10385, 0.00314988/step Wall: 10385, 0.00314988/step, 1.51824 hours remaining, 240.609375 MB of memory in use. ENERGY: 3264800 3951.0218 20583.4576 14519.2700 268.8313 -202844.0944 2416.3847 0.0000 0.0000 52050.7757 -109054.3533 299.1365 -161105.1290 -108708.5668 300.2046 13.1641 41.0447 760472.0111 4.4994 4.5829 PRESSURE: 3265000 31.6199 -67.3238 -10.5188 -67.3241 41.6528 -60.1933 -10.5196 -60.1929 331.589 GPRESSURE: 3265000 110.65 -76.7097 -25.5738 -163.127 29.3795 -103.306 64.8675 -38.9019 344.786 PRESSAVG: 3265000 -6.81891 -59.1134 9.39198 -59.1134 45.5673 -12.7968 9.392 -12.7967 -3.10045 GPRESSAVG: 3265000 -7.61327 -59.1152 7.6586 -59.7189 45.007 -13.7804 10.7761 -11.5635 -1.88369 TIMING: 3265000 CPU: 10385.6, 0.00316033/step Wall: 10385.6, 0.00316033/step, 1.5231 hours remaining, 240.609375 MB of memory in use. ENERGY: 3265000 3911.0432 20504.4402 14500.3955 263.9616 -203088.5223 2676.0178 0.0000 0.0000 52083.2926 -109149.3713 299.3234 -161232.6639 -108786.6015 299.7503 134.9539 161.6050 761789.2461 11.8827 11.8367 PRESSURE: 3265200 26.8713 -94.7256 38.446 -94.7258 24.6013 19.2535 38.4457 19.2529 -121.931 GPRESSURE: 3265200 23.9659 -70.372 38.1098 -96.1924 103.734 -79.1827 -5.99555 41.0989 -119.744 PRESSAVG: 3265200 -35.1631 -44.8212 52.8298 -44.8211 61.6134 -29.6861 52.8298 -29.6862 15.0092 GPRESSAVG: 3265200 -36.3613 -46.314 52.4638 -46.3821 63.4864 -29.7767 52.3666 -29.1246 14.3464 TIMING: 3265200 CPU: 10386.3, 0.00315518/step Wall: 10386.3, 0.00315518/step, 1.52045 hours remaining, 240.609375 MB of memory in use. ENERGY: 3265200 3926.4719 20573.3763 14435.6451 258.6553 -202862.6386 2327.3772 0.0000 0.0000 52219.3252 -109121.7876 300.1052 -161341.1128 -108758.8775 300.1996 -23.4861 2.6520 760340.8566 13.8198 13.8239 PRESSURE: 3265400 105.661 122.284 31.659 122.284 40.484 -88.0973 31.6589 -88.0967 102.894 GPRESSURE: 3265400 186.026 224.226 31.1217 103.436 -3.83069 -91.6146 -1.95936 -51.6038 155.435 PRESSAVG: 3265400 -10.9684 -79.3978 40.9557 -79.3978 -7.50181 -7.66949 40.9556 -7.6695 -1.83469 GPRESSAVG: 3265400 -11.506 -77.039 41.2881 -79.3186 -7.18339 -8.416 40.4014 -6.16761 -1.38285 TIMING: 3265400 CPU: 10386.9, 0.00314636/step Wall: 10386.9, 0.00314636/step, 1.51602 hours remaining, 240.609375 MB of memory in use. ENERGY: 3265400 3936.8959 20444.1551 14455.7875 252.7598 -202515.1723 2313.2784 0.0000 0.0000 51975.7850 -109136.5106 298.7056 -161112.2956 -108774.3024 300.0920 83.0131 112.5433 762457.4444 -6.7683 -6.6908 PRESSURE: 3265600 -15.456 162.367 280.911 162.367 -176.494 24.8985 280.912 24.8988 -8.22343 GPRESSURE: 3265600 58.9221 91.1724 265.127 85.527 -127.862 87.4389 333.514 -53.9232 -37.1108 PRESSAVG: 3265600 -75.8773 -55.7941 -2.0799 -55.7941 17.4879 10.2999 -2.07987 10.2999 4.13678 GPRESSAVG: 3265600 -74.8439 -55.3734 -2.47551 -54.2624 17.3955 12.835 -2.09312 7.81676 2.61977 TIMING: 3265600 CPU: 10387.5, 0.00313675/step Wall: 10387.5, 0.00313675/step, 1.51122 hours remaining, 240.609375 MB of memory in use. ENERGY: 3265600 4024.7564 20539.6317 14486.3063 245.1908 -202707.8127 2340.9052 0.0000 0.0000 51787.5308 -109283.4916 297.6237 -161071.0224 -108931.6468 299.3181 -66.7244 -35.3503 762638.8151 -18.0842 -18.2762 PRESSURE: 3265800 -193.344 -22.9784 -57.414 -22.9788 -180.566 -35.5159 -57.4143 -35.5155 -171.736 GPRESSURE: 3265800 -145.721 56.5461 -26.6583 -57.5271 -114.039 -29.7686 -104.789 -82.5049 -208.247 PRESSAVG: 3265800 -42.9701 -37.1288 19.3549 -37.1287 34.3124 -6.11162 19.3549 -6.11156 -2.89471 GPRESSAVG: 3265800 -44.9929 -37.9854 19.9822 -38.3679 35.1308 -4.1045 19.3921 -6.02502 -1.77774 TIMING: 3265800 CPU: 10388.2, 0.00316269/step Wall: 10388.2, 0.00316269/step, 1.52354 hours remaining, 240.609375 MB of memory in use. ENERGY: 3265800 3978.8160 20574.9396 14505.4697 235.5346 -202851.7873 2362.7336 0.0000 0.0000 51925.7176 -109268.5762 298.4178 -161194.2938 -108905.3986 299.3760 -181.8818 -156.0025 761287.8239 -3.8508 -3.8799 PRESSURE: 3266000 77.3663 -70.1412 20.7782 -70.1408 -36.3596 18.2076 20.7788 18.2084 -80.1402 GPRESSURE: 3266000 72.4528 -135.678 117.263 -33.8392 5.75943 67.1807 -94.148 71.905 -45.3164 PRESSAVG: 3266000 -54.0189 -51.1491 6.69862 -51.149 35.6717 17.4795 6.69857 17.4795 -5.35567 GPRESSAVG: 3266000 -51.4653 -51.5287 7.71385 -50.7642 34.0866 17.2444 4.81411 16.8726 -5.88801 TIMING: 3266000 CPU: 10388.8, 0.00317036/step Wall: 10388.8, 0.00317036/step, 1.52705 hours remaining, 240.609375 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: 3266000 4010.6564 20765.4674 14489.7510 265.1956 -203544.6906 2672.2741 0.0000 0.0000 52095.0243 -109246.3219 299.3908 -161341.3461 -108893.9196 299.1223 -13.0445 10.9653 760734.9630 -7.9010 -7.7556 PRESSURE: 3266200 226.954 -40.8752 -45.6536 -40.875 -121.985 -154.556 -45.6526 -154.557 -3.11688 GPRESSURE: 3266200 251.28 -50.3429 -34.1387 -7.47128 -35.8336 -281.967 4.98996 -27.9977 -13.0358 PRESSAVG: 3266200 32.0529 -40.9754 75.2846 -40.9755 12.4929 -12.0913 75.2847 -12.0912 10.5518 GPRESSAVG: 3266200 31.4637 -44.6204 74.561 -38.1998 13.9016 -12.7415 76.9954 -11.3659 10.1583 TIMING: 3266200 CPU: 10389.4, 0.00317673/step Wall: 10389.4, 0.00317673/step, 1.52995 hours remaining, 240.609375 MB of memory in use. ENERGY: 3266200 3990.4060 20704.7090 14469.8531 235.6522 -202899.9563 2519.4286 0.0000 0.0000 51943.8179 -109036.0895 298.5218 -160979.9074 -108676.3816 299.7629 33.9506 67.4702 762893.3160 18.3659 18.5079 PRESSURE: 3266400 179.656 -198.908 -405.873 -198.908 53.4804 -212.659 -405.873 -212.66 -125.99 GPRESSURE: 3266400 195.194 -235.655 -431.805 -170.034 146.332 -290.874 -112.065 -229.996 -152.671 PRESSAVG: 3266400 -9.61869 -40.8764 -25.6372 -40.8765 5.64787 -47.4024 -25.6373 -47.4025 -29.5985 GPRESSAVG: 3266400 -9.46269 -37.0569 -25.5545 -41.72 5.31415 -48.9032 -23.295 -47.1172 -29.8228 TIMING: 3266400 CPU: 10390.1, 0.00316524/step Wall: 10390.1, 0.00316525/step, 1.52424 hours remaining, 240.609375 MB of memory in use. ENERGY: 3266400 3973.5760 20693.4958 14488.5261 251.9479 -203648.1497 2860.0560 0.0000 0.0000 52185.4709 -109195.0771 299.9106 -161380.5480 -108831.9403 300.2984 35.7155 62.9515 760131.5742 -11.1898 -11.3238 PRESSURE: 3266600 376.667 67.7381 125.954 67.7384 183.445 276.578 125.953 276.577 324.988 GPRESSURE: 3266600 426.922 10.6895 149.283 -43.0259 206.602 269.557 190.141 265.871 336.1 PRESSAVG: 3266600 -17.0087 -11.6696 -8.27532 -11.6696 6.69152 40.3902 -8.2753 40.3902 30.2705 GPRESSAVG: 3266600 -17.2426 -13.1921 -9.30464 -12.966 5.39994 40.9952 -11.2 39.7498 30.9991 TIMING: 3266600 CPU: 10390.7, 0.00314436/step Wall: 10390.7, 0.00314436/step, 1.51401 hours remaining, 240.609375 MB of memory in use. ENERGY: 3266600 3931.2788 20645.5811 14511.7576 250.7785 -203639.3207 2630.3347 0.0000 0.0000 52216.6108 -109452.9791 300.0896 -161669.5899 -109086.9438 300.1686 295.0332 323.2082 758763.1433 6.6511 6.3855 PRESSURE: 3266800 127.833 145.667 167.654 145.667 193.536 -113.336 167.655 -113.336 -80.7425 GPRESSURE: 3266800 138.685 73.8542 189.499 56.7571 202.69 -106.072 157.991 -78.0138 -9.1053 PRESSAVG: 3266800 -14.8021 -5.81696 17.482 -5.81692 11.9256 -39.952 17.4821 -39.952 -15.0021 GPRESSAVG: 3266800 -14.0816 -5.86391 17.6885 -6.89893 11.0873 -38.3526 17.3024 -40.7373 -14.9505 TIMING: 3266800 CPU: 10391.3, 0.00315067/step Wall: 10391.3, 0.00315067/step, 1.51687 hours remaining, 240.609375 MB of memory in use. ENERGY: 3266800 4043.7281 20536.3339 14434.7784 240.6678 -203534.7875 2419.8787 0.0000 0.0000 52406.4403 -109452.9604 301.1805 -161859.4007 -109082.1172 299.4005 80.2090 110.7566 759516.8872 -5.9595 -5.9816 PRESSURE: 3267000 45.5516 -40.7689 -197.046 -40.769 104.472 165.847 -197.047 165.849 -290.543 GPRESSURE: 3267000 15.6061 -1.38442 -251.638 -9.56718 176.847 163.288 -175.138 77.5057 -260.753 PRESSAVG: 3267000 -20.5308 -4.74926 10.1725 -4.74918 4.37323 -16.6206 10.1725 -16.6206 5.64582 GPRESSAVG: 3267000 -21.7864 -5.77069 9.75965 -4.24823 4.0201 -18.6169 12.6427 -15.7764 6.61391 TIMING: 3267000 CPU: 10392, 0.00315226/step Wall: 10392, 0.00315226/step, 1.51746 hours remaining, 240.609375 MB of memory in use. ENERGY: 3267000 3981.7808 20662.3686 14436.0780 251.4462 -203456.8155 2520.9390 0.0000 0.0000 52299.3116 -109304.8913 300.5649 -161604.2029 -108944.4322 299.8492 -46.8398 -22.7667 759145.0265 -3.5039 -3.7174 PRESSURE: 3267200 55.4514 -117.332 -56.9066 -117.332 392.88 44.5272 -56.9071 44.5292 342.878 GPRESSURE: 3267200 163.881 -42.7964 63.5811 -47.3084 431.177 65.7161 -43.2768 -11.9782 296.474 PRESSAVG: 3267200 -40.996 30.3977 25.0183 30.3977 -7.15097 -3.0365 25.0182 -3.03642 19.5163 GPRESSAVG: 3267200 -41.5182 31.9088 26.8976 31.8575 -4.81171 -3.37089 23.2293 -2.55491 18.4442 TIMING: 3267200 CPU: 10392.6, 0.00315012/step Wall: 10392.6, 0.00315012/step, 1.51626 hours remaining, 240.609375 MB of memory in use. ENERGY: 3267200 3972.6350 20564.9753 14398.9411 234.7625 -204128.0713 3096.6189 0.0000 0.0000 52409.9774 -109450.1613 301.2009 -161860.1386 -109080.9997 300.1638 263.7363 297.1772 760603.7503 -9.5436 -9.2952 PRESSURE: 3267400 -155.923 -103.947 12.952 -103.947 -139.869 -272.932 12.9525 -272.931 117.753 GPRESSURE: 3267400 -149.774 -39.65 48.8478 -80.3588 -87.1414 -297.174 -88.3992 -258.024 130.829 PRESSAVG: 3267400 4.66293 19.7835 30.6926 19.7835 -7.58025 4.30398 30.6926 4.30404 28.9452 GPRESSAVG: 3267400 5.1346 18.8316 29.1532 21.4997 -8.19585 2.85886 29.6696 3.43775 28.9416 TIMING: 3267400 CPU: 10393.2, 0.003139/step Wall: 10393.2, 0.003139/step, 1.51073 hours remaining, 240.609375 MB of memory in use. ENERGY: 3267400 3960.9736 20684.8779 14493.4979 242.8761 -203342.8342 2552.1144 0.0000 0.0000 51986.1872 -109422.3072 298.7653 -161408.4944 -109053.5035 300.0735 -59.3464 -35.3622 760170.6521 8.6760 8.6268 PRESSURE: 3267600 135.534 -56.0414 131.876 -56.0408 59.2686 -84.3163 131.876 -84.3176 -532.054 GPRESSURE: 3267600 182.216 38.8642 102.394 -71.9383 -75.2962 -122.603 100.533 -41.915 -390.179 PRESSAVG: 3267600 -64.2244 -14.7262 29.1438 -14.7262 38.4211 -47.0476 29.1438 -47.0476 -13.1906 GPRESSAVG: 3267600 -63.1273 -13.4911 30.1962 -16.1019 37.1238 -44.4508 30.1678 -46.6344 -12.5765 TIMING: 3267600 CPU: 10393.8, 0.00315044/step Wall: 10393.8, 0.00315044/step, 1.51606 hours remaining, 240.609375 MB of memory in use. ENERGY: 3267600 4062.6165 20800.6817 14447.6535 263.1224 -203422.1880 2262.1021 0.0000 0.0000 52038.0914 -109547.9205 299.0636 -161586.0119 -109191.1622 299.7701 -112.4172 -94.4198 760117.7362 -12.9980 -12.8600 PRESSURE: 3267800 -214.276 -96.4644 75.2562 -96.4632 266.095 -159.653 75.2567 -159.652 -53.6731 GPRESSURE: 3267800 -188.352 111.861 96.6079 -44.6556 294.207 -17.4436 87.7822 -160.791 -16.8849 PRESSAVG: 3267800 -71.1525 14.1676 46.4481 14.1675 52.4004 -16.5239 46.4481 -16.5239 16.1025 GPRESSAVG: 3267800 -71.5826 12.8347 44.9794 15.4208 53.5886 -15.9116 47.4518 -16.397 15.1283 TIMING: 3267800 CPU: 10394.5, 0.0031602/step Wall: 10394.5, 0.0031602/step, 1.52058 hours remaining, 240.609375 MB of memory in use. ENERGY: 3267800 4063.2136 20596.7458 14528.0801 249.2409 -203519.1666 2581.9536 0.0000 0.0000 52071.4222 -109428.5104 299.2552 -161499.9326 -109057.4989 299.7464 -0.6180 29.6569 760422.6530 -0.8832 -0.9553 PRESSURE: 3268000 -220.978 -52.4943 -7.22204 -52.4935 -81.4696 -152.825 -7.22232 -152.824 -126.224 GPRESSURE: 3268000 -240.867 23.0479 -131.454 -19.0478 -8.19635 -97.1519 85.9919 -350.052 -72.6866 PRESSAVG: 3268000 -85.032 26.4218 19.7173 26.4218 72.5035 0.401271 19.7174 0.40129 -3.97719 GPRESSAVG: 3268000 -85.5767 26.5029 21.5273 25.2633 73.8272 -0.126759 20.0967 0.873301 -4.3029 TIMING: 3268000 CPU: 10395.1, 0.0031507/step Wall: 10395.1, 0.0031507/step, 1.51584 hours remaining, 240.609375 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: 3268000 4148.3420 20770.6936 14515.0887 246.3417 -203739.9370 2526.5890 0.0000 0.0000 52054.6112 -109478.2709 299.1586 -161532.8821 -109114.3685 299.2496 -142.8905 -107.2500 762051.0444 -5.5019 -5.3508 PRESSURE: 3268200 -141.765 -66.9169 108.993 -66.9168 20.8464 -220.088 108.994 -220.089 -232.955 GPRESSURE: 3268200 -125.634 -28.8016 97.2889 -83.7258 -1.83393 -276.336 124.504 -188.711 -136.417 PRESSAVG: 3268200 4.34109 -25.1335 3.06718 -25.1335 2.8179 -64.5882 3.06722 -64.5883 -12.0045 GPRESSAVG: 3268200 3.42774 -25.209 2.1229 -25.0634 2.78103 -65.704 0.589446 -64.3816 -10.7791 TIMING: 3268200 CPU: 10395.7, 0.00315847/step Wall: 10395.7, 0.00315847/step, 1.5194 hours remaining, 240.609375 MB of memory in use. ENERGY: 3268200 4025.4130 20649.6876 14481.8647 253.3299 -203623.6966 2666.7366 0.0000 0.0000 52121.6057 -109425.0591 299.5436 -161546.6648 -109059.1709 299.4037 -117.9577 -87.9614 761213.9990 -1.6152 -1.5234 LDB: ============= START OF LOAD BALANCING ============== 10408.2 LDB: ============== END OF LOAD BALANCING =============== 10408.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10408.2 LDB: ============= START OF LOAD BALANCING ============== 10408.5 LDB: Largest compute 7031 load 0.037476 is 19.2% of average load 0.195326 LDB: Average compute 0.004395 is 2.2% of average load 0.195326 LDB: TIME 10408.5 LOAD: AVG 0.195326 MAX 0.214114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 10408.5 LOAD: AVG 0.195326 MAX 0.214114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 10408.5 LOAD: AVG 0.195326 MAX 0.214114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 10408.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10408.5 PRESSURE: 3268400 198.935 48.3098 123.094 48.3099 243.874 -94.7593 123.094 -94.7606 27.9151 GPRESSURE: 3268400 250.112 -18.736 106.026 92.6388 265.525 16.0666 14.8197 -1.13744 29.3573 PRESSAVG: 3268400 -25.637 -25.9118 35.0902 -25.9118 47.7463 -52.2226 35.0902 -52.2225 -3.4981 GPRESSAVG: 3268400 -23.1452 -26.1894 34.8633 -26.0144 47.8454 -51.9549 36.1474 -53.7261 -5.91889 TIMING: 3268400 CPU: 10396.4, 0.00323343/step Wall: 10396.4, 0.00323343/step, 1.55528 hours remaining, 242.863281 MB of memory in use. ENERGY: 3268400 4014.7974 20692.3596 14527.9107 234.9167 -203340.8991 2489.2591 0.0000 0.0000 51988.8563 -109392.7992 298.7807 -161381.6555 -109033.9264 299.3974 156.9083 181.6649 759619.4063 6.2037 6.2604 PRESSURE: 3268600 93.9373 1.18839 113.897 1.18848 -269.881 -369.628 113.897 -369.628 -70.565 GPRESSURE: 3268600 88.4089 63.437 118.462 -54.4557 -191.793 -322.857 139.617 -250.166 -71.1105 PRESSAVG: 3268600 42.0024 -15.1573 52.5167 -15.1573 -5.59789 -39.13 52.5166 -39.1301 25.414 GPRESSAVG: 3268600 40.0495 -14.8029 53.304 -15.1993 -5.74849 -39.7436 53.33 -36.3611 27.7793 TIMING: 3268600 CPU: 10397, 0.00314737/step Wall: 10397, 0.00314737/step, 1.51371 hours remaining, 243.062500 MB of memory in use. ENERGY: 3268600 3980.6750 20720.9480 14466.4788 243.0570 -203421.3995 2512.1581 0.0000 0.0000 52145.9050 -109352.1776 299.6832 -161498.0826 -108990.7824 299.1117 -82.1697 -58.1647 761217.9411 20.6062 20.6935 PRESSURE: 3268800 27.5245 -141.479 152.628 -141.48 89.8018 236.195 152.629 236.196 -389.126 GPRESSURE: 3268800 -47.8068 -152.296 161.152 -214.303 188.966 197.885 109.592 225.326 -327.866 PRESSAVG: 3268800 8.9339 14.3828 22.8751 14.3828 27.8291 -11.7358 22.8752 -11.7358 -11.1433 GPRESSAVG: 3268800 8.5766 17.2428 22.1279 12.3203 28.491 -10.4413 20.7994 -13.0099 -11.4852 TIMING: 3268800 CPU: 10397.6, 0.00315339/step Wall: 10397.6, 0.00315339/step, 1.51643 hours remaining, 243.062500 MB of memory in use. ENERGY: 3268800 4008.9524 20618.3294 14514.7997 247.0789 -203379.2430 2630.8160 0.0000 0.0000 52132.4802 -109226.7865 299.6061 -161359.2667 -108867.0612 299.3886 -90.6000 -62.2357 761094.7105 8.5399 8.5275 PRESSURE: 3269000 -77.3021 3.96482 39.9718 3.9641 -422.047 -186.151 39.9716 -186.151 392.32 GPRESSURE: 3269000 3.49823 79.9353 67.2091 -63.1275 -440.587 -196.281 -185.544 -218.947 423.76 PRESSAVG: 3269000 3.0259 8.36467 30.9643 8.36464 -13.2263 19.9302 30.9643 19.9302 10.9078 GPRESSAVG: 3269000 4.06003 6.73291 34.047 10.327 -15.4059 19.5731 28.7624 19.4291 11.7495 TIMING: 3269000 CPU: 10398.3, 0.00317222/step Wall: 10398.3, 0.00317222/step, 1.52531 hours remaining, 243.062500 MB of memory in use. ENERGY: 3269000 4034.2663 20511.5301 14481.7988 265.2946 -203489.0832 2824.4400 0.0000 0.0000 52168.8388 -109202.9146 299.8150 -161371.7534 -108831.3180 299.8490 -35.6764 -4.4428 762615.6062 0.2358 0.1346 PRESSURE: 3269200 19.4096 -293.757 78.8199 -293.757 122.03 197.297 78.82 197.298 46.9455 GPRESSURE: 3269200 29.5018 -297.109 118.49 -333.444 148.464 130.155 103.092 55.8272 73.5519 PRESSAVG: 3269200 -2.93438 -22.9041 45.6264 -22.9041 28.3555 -28.8993 45.6263 -28.8993 -21.818 GPRESSAVG: 3269200 -3.45702 -25.7285 43.2148 -22.6582 29.0919 -31.8637 48.4729 -29.4571 -22.0146 TIMING: 3269200 CPU: 10398.9, 0.00314664/step Wall: 10398.9, 0.00314664/step, 1.51283 hours remaining, 243.062500 MB of memory in use. ENERGY: 3269200 4002.9447 20702.7680 14413.2264 238.9118 -203198.9803 2382.1975 0.0000 0.0000 52086.8591 -109372.0730 299.3439 -161458.9321 -109013.9573 299.8933 62.7950 83.8391 760119.0391 1.2010 1.2067 PRESSURE: 3269400 -231.348 -68.1414 -151.314 -68.1427 -115.717 67.9056 -151.314 67.9051 35.2117 GPRESSURE: 3269400 -204.258 1.43789 -228.13 -4.40994 -40.0104 111.694 -111.257 22.3609 20.8114 PRESSAVG: 3269400 71.3912 -76.9931 18.7482 -76.9931 -27.4417 16.8676 18.7481 16.8676 2.78096 GPRESSAVG: 3269400 71.5708 -75.5724 19.8682 -78.4142 -26.6875 18.1686 19.8315 16.172 1.46426 TIMING: 3269400 CPU: 10399.5, 0.00315706/step Wall: 10399.5, 0.00315706/step, 1.51767 hours remaining, 243.062500 MB of memory in use. ENERGY: 3269400 3944.1249 20464.3845 14515.0884 233.9842 -202928.4529 2218.1944 0.0000 0.0000 52146.2636 -109406.4129 299.6853 -161552.6765 -109051.4665 299.3638 -103.9513 -74.4857 760968.5317 15.5768 15.4492 PRESSURE: 3269600 -66.6112 -34.0243 -90.799 -34.0245 144.39 -111.006 -90.7988 -111.005 7.85746 GPRESSURE: 3269600 -43.8914 50.8124 -108.165 -28.835 71.3112 -84.0935 -16.8415 -112.682 153.194 PRESSAVG: 3269600 29.4227 -53.4239 -3.63436 -53.4239 -43.5205 9.2796 -3.63439 9.27962 -8.31648 GPRESSAVG: 3269600 29.5496 -54.5905 -5.70001 -51.4505 -44.8838 9.84906 -4.07984 11.7031 -7.45173 TIMING: 3269600 CPU: 10400.2, 0.00316447/step Wall: 10400.2, 0.00316447/step, 1.52105 hours remaining, 243.062500 MB of memory in use. ENERGY: 3269600 4049.3249 20578.3576 14489.9720 243.3075 -203221.4063 2534.5281 0.0000 0.0000 52092.0503 -109233.8659 299.3737 -161325.9162 -108865.6760 299.6145 28.5454 60.2045 761149.1498 -7.4714 -7.5953 PRESSURE: 3269800 -122.518 -36.2235 208.526 -36.2229 -6.80745 188.592 208.526 188.592 -326.309 GPRESSURE: 3269800 -57.7607 -16.5069 236.524 -76.3328 -81.0797 163.584 146.175 77.0661 -224.594 PRESSAVG: 3269800 20.5353 -44.1006 5.26805 -44.1006 -22.5886 16.723 5.26802 16.7229 -3.57515 GPRESSAVG: 3269800 20.7201 -42.3397 7.00304 -42.9407 -21.5793 17.5013 6.10068 14.81 -4.43422 TIMING: 3269800 CPU: 10400.8, 0.00317896/step Wall: 10400.8, 0.00317896/step, 1.52784 hours remaining, 243.062500 MB of memory in use. ENERGY: 3269800 4148.3999 20645.6641 14479.4269 248.2724 -203389.3826 2592.1625 0.0000 0.0000 52004.0913 -109271.3655 298.8682 -161275.4568 -108909.4992 300.0437 -151.8781 -121.1448 760152.2337 -1.8761 -1.7645 PRESSURE: 3270000 -27.7702 -45.0234 65.8511 -45.0236 -265.182 -217.666 65.8512 -217.665 56.6677 GPRESSURE: 3270000 -41.1852 -58.4672 43.9485 -56.3072 -96.1043 -146.94 -5.94987 -78.5088 -3.84467 PRESSAVG: 3270000 16.2394 -58.1477 25.5865 -58.1478 -22.1564 29.0828 25.5864 29.0828 57.2661 GPRESSAVG: 3270000 15.9011 -59.188 24.7879 -59.8972 -22.0748 28.4439 23.4185 31.0076 57.3421 TIMING: 3270000 CPU: 10401.4, 0.00317768/step Wall: 10401.4, 0.00317768/step, 1.52705 hours remaining, 243.062500 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: 3270000 4066.0046 20714.8245 14478.6644 244.4803 -203328.1947 2259.4140 0.0000 0.0000 52236.7733 -109328.0336 300.2055 -161564.8069 -108973.9227 300.1855 -78.7615 -47.0447 758727.0289 17.1163 17.0561 PRESSURE: 3270200 73.8734 51.2769 -45.7863 51.2767 -76.7369 -9.64922 -45.7858 -9.65035 142.857 GPRESSURE: 3270200 91.2064 59.7355 42.6218 -126.832 -39.8436 -125.716 -97.509 58.64 170.405 PRESSAVG: 3270200 61.618 -36.3986 8.29402 -36.3986 -54.1205 -13.7271 8.29404 -13.727 17.1846 GPRESSAVG: 3270200 61.1765 -37.5531 10.3154 -38.0967 -53.8533 -13.2172 9.50889 -14.4829 18.0434 TIMING: 3270200 CPU: 10402.1, 0.00315657/step Wall: 10402.1, 0.00315657/step, 1.51673 hours remaining, 243.062500 MB of memory in use. ENERGY: 3270200 3960.9520 20799.5162 14461.4187 245.3784 -203485.7521 2660.3570 0.0000 0.0000 52188.7090 -109169.4210 299.9292 -161358.1300 -108805.7745 300.0173 46.6643 73.9227 760484.3449 8.2274 8.4555 PRESSURE: 3270400 -307.507 -294.305 -288.893 -294.305 8.09801 41.1355 -288.894 41.1341 -473.362 GPRESSURE: 3270400 -187.799 -240.424 -281.161 -339.894 -83.2492 148.105 -224.039 7.35084 -390.93 PRESSAVG: 3270400 -19.0027 -46.0464 19.0819 -46.0464 50.1213 43.6076 19.0819 43.6076 -5.06943 GPRESSAVG: 3270400 -17.6572 -44.5385 16.8785 -44.6809 49.6007 44.8364 19.0178 43.1647 -6.28333 TIMING: 3270400 CPU: 10402.7, 0.00315457/step Wall: 10402.7, 0.00315457/step, 1.5156 hours remaining, 243.062500 MB of memory in use. ENERGY: 3270400 4070.1069 20555.4593 14502.5497 259.2882 -203584.0404 2548.9212 0.0000 0.0000 52120.8162 -109526.8989 299.5390 -161647.7152 -109170.0455 300.3839 -257.5903 -220.6593 759476.2992 8.6831 8.5534 PRESSURE: 3270600 -192.914 -80.8242 119.386 -80.8236 122.48 -273.184 119.387 -273.185 -75.5776 GPRESSURE: 3270600 -225.862 -54.4551 171.468 8.71027 164.968 -271.272 44.9909 -199.32 -17.5119 PRESSAVG: 3270600 -14.1051 -64.5659 55.5278 -64.5659 -28.3878 46.002 55.5278 46.0019 6.65261 GPRESSAVG: 3270600 -15.0783 -65.4006 56.8838 -65.7103 -28.2426 44.9404 53.6479 45.4637 7.77857 TIMING: 3270600 CPU: 10403.3, 0.00315654/step Wall: 10403.3, 0.00315654/step, 1.51637 hours remaining, 243.062500 MB of memory in use. ENERGY: 3270600 3939.7761 20764.2118 14446.4103 242.5296 -203609.9930 2600.3805 0.0000 0.0000 52097.4125 -109519.2722 299.4045 -161616.6847 -109150.3207 299.4448 -48.6704 -26.1351 761163.6053 -11.9468 -11.8475 PRESSURE: 3270800 16.1131 -30.6648 -19.8013 -30.6661 448.14 220.336 -19.8018 220.336 -22.8762 GPRESSURE: 3270800 74.7838 7.74113 -36.9263 -73.1822 406.03 70.8857 -30.6815 212.64 46.8124 PRESSAVG: 3270800 2.95901 -28.9911 -22.3679 -28.9911 -45.1596 4.0301 -22.3678 4.03007 9.79742 GPRESSAVG: 3270800 3.49955 -28.0835 -25.1722 -29.6611 -46.3563 2.91418 -17.9371 5.32616 10.3356 TIMING: 3270800 CPU: 10404, 0.00315064/step Wall: 10404, 0.00315064/step, 1.51336 hours remaining, 243.062500 MB of memory in use. ENERGY: 3270800 3883.9352 20593.3971 14486.9549 242.2953 -203476.8886 2471.4687 0.0000 0.0000 52225.3694 -109573.4680 300.1399 -161798.8373 -109203.4124 299.3585 147.1258 175.8755 759489.8733 -10.8011 -10.8404 PRESSURE: 3271000 212.966 22.2254 324.412 22.2257 -273.905 539.415 324.412 539.414 103.698 GPRESSURE: 3271000 223.842 -66.2187 313.809 9.41583 -280.002 499.358 262.601 438.03 185.184 PRESSAVG: 3271000 -26.2277 -32.5575 62.4837 -32.5575 51.4895 35.4836 62.4836 35.4837 -25.6501 GPRESSAVG: 3271000 -25.9529 -33.269 64.5286 -30.5684 52.4777 35.5014 58.925 34.7047 -27.118 TIMING: 3271000 CPU: 10404.6, 0.00313661/step Wall: 10404.6, 0.00313661/step, 1.50644 hours remaining, 243.062500 MB of memory in use. ENERGY: 3271000 4035.7041 20628.5714 14465.0370 237.1281 -203513.6754 2534.0446 0.0000 0.0000 51914.0837 -109699.1065 298.3510 -161613.1902 -109334.4262 299.0561 14.2531 43.0077 760737.2449 -0.1294 -0.1977 PRESSURE: 3271200 150.99 -206.794 175.678 -206.793 -196.537 -141.592 175.678 -141.593 103.082 GPRESSURE: 3271200 232.003 -207.223 217.501 -223.82 -168.968 -144.581 142.842 -104.246 86.3967 PRESSAVG: 3271200 14.2304 -37.0052 44.9144 -37.0052 -11.0523 -31.4206 44.9144 -31.4205 -18.6309 GPRESSAVG: 3271200 13.8865 -36.9644 45.395 -37.8577 -9.68254 -31.6047 45.1277 -30.3133 -19.1486 TIMING: 3271200 CPU: 10405.2, 0.0031458/step Wall: 10405.2, 0.0031458/step, 1.51068 hours remaining, 243.062500 MB of memory in use. ENERGY: 3271200 3998.5321 20525.9001 14513.1224 244.1872 -203568.7108 2425.7370 0.0000 0.0000 52346.1655 -109515.0666 300.8341 -161861.2321 -109154.6233 299.4717 19.1784 49.8106 759374.4368 -5.1509 -4.9815 PRESSURE: 3271400 233.791 -15.9684 -45.5482 -15.9682 -284.599 -408.618 -45.5482 -408.617 -156.86 GPRESSURE: 3271400 163.788 -15.3077 -78.5169 13.9165 -144.481 -365.13 37.0705 -336.129 -120.031 PRESSAVG: 3271400 15.6684 -33.5692 23.6438 -33.5693 4.26421 -8.08953 23.6437 -8.08949 -21.5569 GPRESSAVG: 3271400 16.0234 -33.6656 23.0759 -33.3651 3.18757 -7.01155 24.8184 -10.1056 -20.7524 TIMING: 3271400 CPU: 10405.9, 0.00314569/step Wall: 10405.9, 0.00314569/step, 1.51046 hours remaining, 243.062500 MB of memory in use. ENERGY: 3271400 4070.6626 20601.9031 14464.7066 254.3781 -203502.8087 2761.5131 0.0000 0.0000 51874.1638 -109475.4814 298.1215 -161349.6452 -109117.3487 299.5137 -69.2227 -33.5749 761920.0512 -0.5414 -0.5138 PRESSURE: 3271600 152.073 184.097 278.036 184.097 -1.50689 36.6066 278.036 36.6071 466.178 GPRESSURE: 3271600 148.67 139.471 161.186 88.2 17.7971 -43.1041 218.9 -67.6384 543.041 PRESSAVG: 3271600 19.2404 14.1947 -16.376 14.1947 -19.1864 -8.71433 -16.376 -8.71428 -0.671524 GPRESSAVG: 3271600 19.2713 15.4649 -14.9967 13.0484 -19.7913 -9.02443 -15.7187 -7.41611 -0.00588759 TIMING: 3271600 CPU: 10406.5, 0.00313712/step Wall: 10406.5, 0.00313712/step, 1.50617 hours remaining, 243.062500 MB of memory in use. ENERGY: 3271600 3990.9416 20424.6139 14475.8572 218.6375 -203154.7641 2365.1098 0.0000 0.0000 52012.4368 -109667.1673 298.9162 -161679.6041 -109295.2401 299.1369 205.5813 236.5029 760625.5066 -0.2058 -0.1753 PRESSURE: 3271800 -379.264 -108.675 43.0811 -108.674 -556.555 -52.2761 43.0808 -52.2755 -171.315 GPRESSURE: 3271800 -428.789 -58.34 24.855 -43.1103 -421.693 -50.109 -17.5624 -11.4038 -192.858 PRESSAVG: 3271800 54.1489 -2.28423 -14.0539 -2.2842 -55.0186 -26.1583 -14.0539 -26.1584 -18.9761 GPRESSAVG: 3271800 54.3384 -4.24471 -14.3891 -2.60558 -53.8752 -27.7413 -15.7047 -23.9734 -20.273 TIMING: 3271800 CPU: 10407.1, 0.00313194/step Wall: 10407.1, 0.00313194/step, 1.5035 hours remaining, 243.062500 MB of memory in use. ENERGY: 3271800 4023.5356 20612.9958 14458.2317 252.3535 -203030.8154 2143.7732 0.0000 0.0000 51757.6417 -109782.2839 297.4519 -161539.9256 -109415.8870 299.3218 -369.0446 -347.7801 763378.7149 -6.6153 -6.6033 PRESSURE: 3272000 -282.197 10.2485 -45.5168 10.2483 -158.988 -7.46108 -45.5171 -7.46064 -537.56 GPRESSURE: 3272000 -261.112 54.2425 -153.348 44.3315 -207.212 17.3131 55.4037 -43.7504 -432.017 PRESSAVG: 3272000 38.4038 -4.11985 15.8843 -4.11985 -79.9053 0.752696 15.8844 0.752776 10.6683 GPRESSAVG: 3272000 38.2235 -2.77585 15.5497 -3.83922 -81.5465 2.334 16.7873 -2.35204 11.5724 TIMING: 3272000 CPU: 10407.7, 0.00315983/step Wall: 10407.7, 0.00315983/step, 1.51672 hours remaining, 243.062500 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: 3272000 4008.5335 20483.0073 14443.0146 247.8404 -202932.1487 2114.5752 0.0000 0.0000 51964.9480 -109670.2297 298.6433 -161635.1777 -109318.2221 298.4433 -326.2481 -300.1136 761563.1870 -10.2777 -10.5835 PRESSURE: 3272200 -325.267 138.832 120.329 138.832 -440.25 25.3578 120.33 25.3568 -166.684 GPRESSURE: 3272200 -216.372 168.972 124.707 36.2949 -415.376 82.9714 -24.3941 -62.3786 -196.046 PRESSAVG: 3272200 51.334 39.7988 11.6028 39.7989 -71.3288 30.5823 11.6028 30.5822 -17.9822 GPRESSAVG: 3272200 52.0724 37.611 9.75361 41.445 -69.7731 30.9709 11.3593 31.4014 -19.8705 TIMING: 3272200 CPU: 10408.4, 0.00315445/step Wall: 10408.4, 0.00315445/step, 1.51396 hours remaining, 243.062500 MB of memory in use. ENERGY: 3272200 3981.5348 20341.4451 14545.1206 250.6639 -203671.0705 2630.2949 0.0000 0.0000 52139.6544 -109782.3568 299.6473 -161922.0112 -109417.5849 298.4419 -310.7338 -275.9313 762781.8097 -12.6590 -12.5238 LDB: ============= START OF LOAD BALANCING ============== 10420.8 LDB: ============== END OF LOAD BALANCING =============== 10420.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10420.8 LDB: ============= START OF LOAD BALANCING ============== 10421.1 LDB: Largest compute 7059 load 0.036591 is 18.7% of average load 0.195344 LDB: Average compute 0.004404 is 2.3% of average load 0.195344 LDB: TIME 10421.1 LOAD: AVG 0.195344 MAX 0.215432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.355 MB LDB: TIME 10421.1 LOAD: AVG 0.195344 MAX 0.215432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.426 MB LDB: TIME 10421.1 LOAD: AVG 0.195344 MAX 0.215432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.426 MB LDB: ============== END OF LOAD BALANCING =============== 10421.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10421.2 PRESSURE: 3272400 90.8954 -10.5562 147.379 -10.556 -178.474 -122.427 147.378 -122.429 -407.709 GPRESSURE: 3272400 96.6568 28.8975 188.32 -36.5947 -110.14 -150.983 80.2929 -120.881 -398.474 PRESSAVG: 3272400 57.5679 -22.5504 -50.153 -22.5504 -41.1417 12.5731 -50.153 12.5731 -22.6948 GPRESSAVG: 3272400 57.7761 -22.4944 -50.1696 -22.271 -42.5021 11.9935 -51.6261 13.2944 -21.0747 TIMING: 3272400 CPU: 10409, 0.00322136/step Wall: 10409, 0.00322136/step, 1.54589 hours remaining, 240.156250 MB of memory in use. ENERGY: 3272400 4022.0174 20514.4120 14420.0406 244.8918 -203127.5913 2225.4180 0.0000 0.0000 51889.4415 -109811.3700 298.2093 -161700.8116 -109439.8460 298.8397 -165.0957 -137.3189 760392.5030 -2.0895 -1.9336 PRESSURE: 3272600 89.9124 143.315 -310.097 143.315 -124.914 4.71838 -310.096 4.71845 129.812 GPRESSURE: 3272600 112.844 189.097 -358.269 120.231 -64.4413 -44.1039 -161.352 -97.9042 117.706 PRESSAVG: 3272600 40.4283 1.34256 -4.49615 1.34258 4.49232 -27.3507 -4.49618 -27.3507 -3.78561 GPRESSAVG: 3272600 40.1843 1.07468 -4.49432 0.0906652 4.95006 -26.6687 -1.71029 -29.2278 -4.12533 TIMING: 3272600 CPU: 10409.6, 0.0031568/step Wall: 10409.6, 0.0031568/step, 1.51474 hours remaining, 240.156250 MB of memory in use. ENERGY: 3272600 4021.3525 20520.5771 14443.4493 263.8178 -203406.4122 2464.1910 0.0000 0.0000 51847.5665 -109845.4580 297.9687 -161693.0245 -109487.1414 298.7062 31.6033 55.3697 760692.4763 13.7117 13.6697 PRESSURE: 3272800 31.9418 143.595 -34.8299 143.596 -45.8056 -143.056 -34.8301 -143.056 135.319 GPRESSURE: 3272800 83.8031 185.313 -79.0304 96.2978 41.8969 -139.252 -39.1591 -55.9458 70.8162 PRESSAVG: 3272800 72.8367 -21.8904 -6.29094 -21.8904 -55.6866 30.1261 -6.29099 30.1261 18.359 GPRESSAVG: 3272800 74.2677 -22.097 -3.82016 -20.3189 -56.6476 28.5871 -5.84976 29.8437 17.7266 TIMING: 3272800 CPU: 10410.3, 0.00315137/step Wall: 10410.3, 0.00315137/step, 1.51196 hours remaining, 240.156250 MB of memory in use. ENERGY: 3272800 3975.2316 20682.5175 14425.1826 239.8785 -203324.7800 2468.3668 0.0000 0.0000 51728.2436 -109805.3594 297.2829 -161533.6030 -109443.3912 298.4883 40.4850 65.5054 760785.6191 11.8363 11.7823 PRESSURE: 3273000 -106.108 73.925 -94.391 73.9252 -95.1638 35.915 -94.3911 35.9137 -168.929 GPRESSURE: 3273000 -91.977 61.8279 -87.2601 1.50773 -59.7567 67.7868 -120.631 43.9352 -133.478 PRESSAVG: 3273000 51.3174 -0.696599 16.7152 -0.696625 -7.87221 11.9817 16.7153 11.9817 -1.79461 GPRESSAVG: 3273000 50.3772 1.52507 15.802 -0.96447 -7.88119 13.5459 14.6567 13.4736 -0.503413 TIMING: 3273000 CPU: 10410.9, 0.00316161/step Wall: 10410.9, 0.00316161/step, 1.51669 hours remaining, 240.156250 MB of memory in use. ENERGY: 3273000 3922.3629 20363.0718 14423.6832 265.1714 -203104.2141 2441.7562 0.0000 0.0000 51908.5908 -109779.5778 298.3194 -161688.1686 -109418.0922 298.5348 -123.4003 -95.0706 761154.0902 13.8835 13.9975 PRESSURE: 3273200 42.7998 -71.6694 -58.826 -71.6693 194.498 103.075 -58.8265 103.076 59.3434 GPRESSURE: 3273200 29.8905 -117.695 -32.8662 -66.123 198.277 142.272 22.2695 194.706 178.046 PRESSAVG: 3273200 -20.2107 -43.0008 2.19978 -43.0008 23.1982 -29.331 2.19972 -29.331 -15.5 GPRESSAVG: 3273200 -20.9295 -45.1814 3.40116 -43.6531 24.1283 -29.6405 3.19046 -29.0668 -15.1204 TIMING: 3273200 CPU: 10411.5, 0.00316296/step Wall: 10411.5, 0.00316295/step, 1.51716 hours remaining, 240.156250 MB of memory in use. ENERGY: 3273200 4045.0599 20463.0834 14464.1856 233.8616 -203251.8808 2416.7862 0.0000 0.0000 52000.2004 -109628.7038 298.8459 -161628.9042 -109262.0257 298.2103 98.8803 135.4044 760981.1740 -4.1709 -3.9739 PRESSURE: 3273400 383.931 14.7056 6.74749 14.706 143.325 39.6907 6.74745 39.6915 5.23705 GPRESSURE: 3273400 457.983 134.522 -67.3619 -34.2905 152.534 -18.7051 -59.4875 -7.25134 2.90684 PRESSAVG: 3273400 -1.27501 -6.6831 40.4033 -6.68317 21.0317 -18.7555 40.4033 -18.7555 10.5462 GPRESSAVG: 3273400 -0.512377 -6.20264 38.6034 -6.61991 20.7678 -18.5204 38.5893 -20.6573 9.63338 TIMING: 3273400 CPU: 10412.2, 0.00314941/step Wall: 10412.2, 0.00314941/step, 1.51049 hours remaining, 240.156250 MB of memory in use. ENERGY: 3273400 4001.3461 20526.0227 14488.0194 258.3618 -203434.8428 2593.9526 0.0000 0.0000 51963.6037 -109603.5364 298.6355 -161567.1402 -109252.9765 299.1142 177.4976 204.4747 759555.1375 10.1010 9.9629 PRESSURE: 3273600 225.186 -127.231 -133.036 -127.23 137.511 -101.318 -133.036 -101.32 -282.454 GPRESSURE: 3273600 289.111 -121.039 -73.6995 -97.1228 118.087 -139.657 -87.1951 8.68558 -258.616 PRESSAVG: 3273600 -25.0847 -36.5756 -22.9472 -36.5756 45.9231 -15.4383 -22.9472 -15.4384 -24.2505 GPRESSAVG: 3273600 -26.6031 -36.4202 -22.4732 -35.2799 45.9658 -16.523 -23.8745 -13.892 -23.1944 TIMING: 3273600 CPU: 10412.8, 0.00316417/step Wall: 10412.8, 0.00316417/step, 1.51739 hours remaining, 240.156250 MB of memory in use. ENERGY: 3273600 3944.3804 20486.5969 14463.6089 240.4057 -203510.7580 2731.6370 0.0000 0.0000 51992.7400 -109651.3890 298.8030 -161644.1290 -109287.8307 299.2505 26.7479 49.5274 762630.2303 -1.1374 -1.2772 PRESSURE: 3273800 86.0698 -172.449 60.7867 -172.448 -182.745 355.571 60.7866 355.57 66.1746 GPRESSURE: 3273800 115.986 -252.455 14.7008 -274.856 -101.506 254.255 148.799 174.599 63.945 PRESSAVG: 3273800 25.6671 -78.61 -26.4083 -78.6099 -28.8824 12.3093 -26.4083 12.3092 -15.4273 GPRESSAVG: 3273800 25.9523 -75.7653 -26.3805 -81.7778 -29.8067 13.9744 -25.144 11.7097 -15.1795 TIMING: 3273800 CPU: 10413.4, 0.00314878/step Wall: 10413.4, 0.00314879/step, 1.50984 hours remaining, 240.156250 MB of memory in use. ENERGY: 3273800 3990.5523 20571.7352 14451.5480 243.1966 -203718.7986 2837.7813 0.0000 0.0000 52004.2179 -109619.7673 298.8690 -161623.9853 -109265.8168 299.1905 -10.1669 26.1418 761098.7903 -6.2142 -6.3447 PRESSURE: 3274000 251.624 181.407 20.2478 181.407 135.951 -85.1679 20.2474 -85.1678 163.198 GPRESSURE: 3274000 261.107 149.04 -31.199 66.801 200.335 -47.426 63.3069 -118.014 167.877 PRESSAVG: 3274000 28.6135 -27.1006 -0.447607 -27.1006 -54.2214 -8.21909 -0.447704 -8.21913 16.1131 GPRESSAVG: 3274000 28.5381 -28.4855 -1.87226 -25.799 -53.7647 -8.86009 0.111599 -8.58828 15.6448 TIMING: 3274000 CPU: 10414.1, 0.00314361/step Wall: 10414.1, 0.00314361/step, 1.50718 hours remaining, 240.156250 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: 3274000 3898.9384 20517.0112 14465.0588 274.5896 -203704.5117 2906.5828 0.0000 0.0000 51904.6076 -109737.7232 298.2965 -161642.3308 -109383.2127 298.6975 183.5910 209.7730 761292.0643 -3.1649 -3.1939 PRESSURE: 3274200 16.0689 -25.9229 138.309 -25.9227 19.5883 -2.48658 138.309 -2.4852 -54.061 GPRESSURE: 3274200 120.003 -12.4492 115.633 89.0671 32.7701 53.7762 187.542 -57.9032 -61.6162 PRESSAVG: 3274200 10.503 -15.8147 34.1437 -15.8147 -31.154 32.9125 34.1438 32.9125 -4.82496 GPRESSAVG: 3274200 10.3758 -15.414 36.2589 -15.9003 -30.584 33.2599 33.0265 33.9201 -5.31 TIMING: 3274200 CPU: 10414.7, 0.00315689/step Wall: 10414.7, 0.00315689/step, 1.51338 hours remaining, 240.156250 MB of memory in use. ENERGY: 3274200 3998.8542 20441.9136 14439.4116 249.6898 -203077.3439 2423.3839 0.0000 0.0000 52093.1455 -109430.9454 299.3800 -161524.0908 -109066.0577 298.8126 -6.1346 30.3857 761355.3941 -8.4920 -8.5061 PRESSURE: 3274400 -106.616 148.228 218.878 148.229 317.806 119.342 218.877 119.341 258.167 GPRESSURE: 3274400 -22.8136 159.08 141.07 1.86756 339.501 132.67 229.578 -10.4872 245.285 PRESSAVG: 3274400 -28.9442 -36.9489 -5.36634 -36.9489 -4.17055 9.48727 -5.3664 9.48727 9.79964 GPRESSAVG: 3274400 -28.5843 -36.8754 -7.77369 -36.7734 -3.96071 9.17439 -3.3864 9.27684 8.66643 TIMING: 3274400 CPU: 10415.3, 0.00318694/step Wall: 10415.3, 0.00318694/step, 1.52761 hours remaining, 240.156250 MB of memory in use. ENERGY: 3274400 4022.3918 20542.6248 14502.4026 264.9372 -203867.3394 2803.0732 0.0000 0.0000 52274.8313 -109457.0785 300.4242 -161731.9098 -109102.2493 298.9506 156.4526 187.3238 760399.3526 -7.7717 -7.9595 PRESSURE: 3274600 -73.4637 43.0769 149.321 43.077 -135.533 -34.1327 149.321 -34.1332 -176.795 GPRESSURE: 3274600 -32.5534 53.9609 77.5148 39.0828 -66.5588 -23.8783 26.7643 -12.0006 -179.246 PRESSAVG: 3274600 -13.7682 37.0156 0.727097 37.0154 -4.86034 -4.09722 0.727123 -4.09719 -8.66894 GPRESSAVG: 3274600 -13.7496 35.434 1.46294 38.8404 -6.01272 -2.83224 -1.71323 -4.58439 -7.82739 TIMING: 3274600 CPU: 10416, 0.00319099/step Wall: 10416, 0.00319099/step, 1.52937 hours remaining, 240.156250 MB of memory in use. ENERGY: 3274600 4014.4389 20545.6110 14517.8163 248.2049 -203024.9562 2382.3079 0.0000 0.0000 51936.8568 -109379.7204 298.4818 -161316.5772 -109024.0713 299.6414 -128.5973 -92.7862 761532.8689 -9.0992 -9.1966 PRESSURE: 3274800 -79.105 72.7516 103.574 72.7517 -238.162 90.8986 103.574 90.8998 -47.199 GPRESSURE: 3274800 -1.19153 73.928 31.9156 117.506 -223.902 46.0348 144.975 95.9899 -52.6832 PRESSAVG: 3274800 47.262 17.261 -10.8777 17.261 -84.8374 20.4675 -10.8777 20.4676 1.69801 GPRESSAVG: 3274800 47.2635 16.4959 -9.47763 17.3315 -84.5731 18.3527 -9.55163 22.3001 1.75129 TIMING: 3274800 CPU: 10416.6, 0.00315429/step Wall: 10416.6, 0.00315429/step, 1.51161 hours remaining, 240.156250 MB of memory in use. ENERGY: 3274800 4022.3280 20428.5652 14562.3420 235.8889 -203461.4895 2497.2148 0.0000 0.0000 52295.3687 -109419.7819 300.5422 -161715.1506 -109049.8986 299.4598 -121.4887 -92.5921 759132.4340 -11.9591 -11.8528 PRESSURE: 3275000 -187.88 120.058 248.737 120.058 -153.723 182.798 248.737 182.796 -3.69246 GPRESSURE: 3275000 -195.576 87.4458 223.377 46.1832 -237.976 225.492 203.582 115.263 148.224 PRESSAVG: 3275000 43.2832 -14.6984 -14.496 -14.6984 -15.9111 10.2832 -14.496 10.2832 12.2602 GPRESSAVG: 3275000 42.5647 -11.6908 -15.6199 -16.5938 -16.7838 11.6499 -16.4673 8.58239 14.0396 TIMING: 3275000 CPU: 10417.2, 0.00316465/step Wall: 10417.2, 0.00316465/step, 1.51639 hours remaining, 240.156250 MB of memory in use. ENERGY: 3275000 4031.4524 20631.4475 14480.5722 243.9802 -203568.0077 2504.2113 0.0000 0.0000 52102.2810 -109574.0632 299.4325 -161676.3442 -109210.7376 299.7969 -115.0985 -95.1090 760746.5747 13.2108 13.2735 PRESSURE: 3275200 -15.3536 -108.998 61.6234 -108.998 13.8405 232.589 61.6239 232.589 -4.81626 GPRESSURE: 3275200 25.2516 -114.226 56.2666 55.1722 -26.0337 217.8 114.67 168.548 76.8138 PRESSAVG: 3275200 42.4443 9.24967 -3.90727 9.24967 -10.5425 60.1182 -3.90728 60.1182 -17.0642 GPRESSAVG: 3275200 43.24 5.77454 -3.4106 12.1948 -10.4737 60.1853 -4.64818 60.56 -17.7433 TIMING: 3275200 CPU: 10417.9, 0.00314756/step Wall: 10417.9, 0.00314756/step, 1.50803 hours remaining, 240.156250 MB of memory in use. ENERGY: 3275200 4017.9320 20615.6029 14554.3852 241.1162 -203371.0097 2605.2781 0.0000 0.0000 51827.1195 -109509.5759 297.8512 -161336.6954 -109157.4479 299.6740 -2.1098 25.3439 760327.5511 4.9458 5.0076 PRESSURE: 3275400 -409.681 -6.92872 4.4977 -6.92886 -229.833 37.4053 4.49799 37.4055 -374.972 GPRESSURE: 3275400 -448.123 -108.341 28.9013 47.408 -119.881 3.2529 -32.2432 64.9781 -360.802 PRESSAVG: 3275400 22.4391 -15.2872 -24.588 -15.2873 -18.2632 49.2986 -24.588 49.2987 3.63264 GPRESSAVG: 3275400 22.969 -11.0059 -24.8389 -17.2051 -17.6283 49.087 -22.2157 50.5799 2.68922 TIMING: 3275400 CPU: 10418.5, 0.00316092/step Wall: 10418.5, 0.00316092/step, 1.51426 hours remaining, 240.156250 MB of memory in use. ENERGY: 3275400 4007.3328 20500.2360 14540.8508 250.0134 -203202.3903 2461.8242 0.0000 0.0000 51991.7099 -109450.4233 298.7971 -161442.1332 -109077.9573 299.6823 -338.1619 -309.6020 760951.2148 2.6028 2.6767 PRESSURE: 3275600 294.39 -84.2963 119.123 -84.2965 265.365 189.663 119.122 189.664 -90.8947 GPRESSURE: 3275600 473.262 -187.392 117.642 -141.328 243.622 59.3014 26.4554 272.38 -145.303 PRESSAVG: 3275600 49.3756 -39.4484 -23.6246 -39.4484 -26.2849 51.5542 -23.6245 51.5542 -16.4632 GPRESSAVG: 3275600 49.7541 -43.1929 -23.3511 -39.8776 -27.2523 49.4582 -24.4449 51.3682 -16.0128 TIMING: 3275600 CPU: 10419.1, 0.00314488/step Wall: 10419.1, 0.00314488/step, 1.5064 hours remaining, 240.156250 MB of memory in use. ENERGY: 3275600 4020.7807 20399.5825 14442.0239 265.8871 -203529.4468 2779.2327 0.0000 0.0000 52142.4738 -109479.4661 299.6635 -161621.9399 -109121.2854 299.6968 156.2869 190.5270 759774.2027 2.2091 2.1630 PRESSURE: 3275800 145.299 -170.011 162.758 -170.011 56.6131 -159.227 162.757 -159.227 -405.395 GPRESSURE: 3275800 164.352 -49.2293 170.564 -144.698 90.7123 -134.207 -42.3336 -132.495 -372.909 PRESSAVG: 3275800 1.60353 -10.6842 -8.59813 -10.6842 -1.22675 22.6381 -8.59817 22.6381 9.36817 GPRESSAVG: 3275800 0.889945 -9.01504 -8.10091 -11.2049 0.816369 23.0157 -9.39 23.6154 8.3651 TIMING: 3275800 CPU: 10419.7, 0.00312279/step Wall: 10419.7, 0.00312279/step, 1.49564 hours remaining, 240.156250 MB of memory in use. ENERGY: 3275800 3990.8169 20431.6749 14543.1050 250.4881 -203782.4495 2733.8340 0.0000 0.0000 52230.3139 -109602.2168 300.1683 -161832.5307 -109235.5843 299.3607 -67.8278 -39.2817 760361.8887 3.2483 3.3571 PRESSURE: 3276000 16.2864 6.24746 -115.969 6.24725 369.442 -69.8867 -115.97 -69.8861 -1.65305 GPRESSURE: 3276000 104.529 5.84564 -162.081 63.0382 449.513 -202.666 -131.959 -12.664 -97.7428 PRESSAVG: 3276000 -3.86174 -10.3586 18.2691 -10.3586 -5.25705 -18.9312 18.2691 -18.9312 14.0295 GPRESSAVG: 3276000 -2.19559 -9.49849 17.4852 -8.79247 -7.44996 -18.5486 17.1716 -20.9156 13.8342 TIMING: 3276000 CPU: 10420.4, 0.00311847/step Wall: 10420.4, 0.00311847/step, 1.4934 hours remaining, 240.156250 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: 3276000 4009.1668 20595.2788 14435.7875 229.0654 -203726.6513 2732.1182 0.0000 0.0000 51917.8287 -109807.4059 298.3725 -161725.2346 -109448.9408 298.9322 128.0250 152.0998 761073.4991 1.6369 1.3962 PRESSURE: 3276200 -107.748 97.8169 -177.916 97.8173 -258.738 -202.008 -177.916 -202.007 472.527 GPRESSURE: 3276200 -29.9139 -12.7698 -166.23 38.5911 -265.556 -147.149 -204.936 -293.662 467.176 PRESSAVG: 3276200 30.8434 12.5989 -13.5348 12.5989 -11.476 -12.4245 -13.5348 -12.4244 7.19713 GPRESSAVG: 3276200 29.5661 12.8781 -12.1019 10.6085 -10.2982 -10.5625 -13.645 -12.0473 7.75275 TIMING: 3276200 CPU: 10421, 0.00313971/step Wall: 10421, 0.00313971/step, 1.5034 hours remaining, 240.156250 MB of memory in use. ENERGY: 3276200 4019.5806 20641.1023 14430.8894 245.1265 -203801.3563 2711.8010 0.0000 0.0000 51976.9895 -109775.8669 298.7125 -161752.8565 -109415.3934 299.2626 35.3473 57.2355 761314.4889 8.8549 9.0069 LDB: ============= START OF LOAD BALANCING ============== 10433.5 LDB: ============== END OF LOAD BALANCING =============== 10433.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10433.5 LDB: ============= START OF LOAD BALANCING ============== 10433.8 LDB: Largest compute 7059 load 0.035596 is 18.2% of average load 0.195469 LDB: Average compute 0.004392 is 2.2% of average load 0.195469 LDB: TIME 10433.8 LOAD: AVG 0.195469 MAX 0.215166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.211 MB LDB: TIME 10433.8 LOAD: AVG 0.195469 MAX 0.215166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: TIME 10433.8 LOAD: AVG 0.195469 MAX 0.215166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: ============== END OF LOAD BALANCING =============== 10433.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10433.8 PRESSURE: 3276400 96.6831 28.945 35.4878 28.9444 82.7052 -333.108 35.4886 -333.108 15.0583 GPRESSURE: 3276400 98.7323 30.8251 82.4651 -75.9492 137.378 -312.891 -35.9869 -186.602 37.281 PRESSAVG: 3276400 -3.98596 0.0666402 0.54849 0.0666251 -41.6361 -46.9492 0.548469 -46.9493 -10.4958 GPRESSAVG: 3276400 -3.55497 -1.05479 0.0463883 -0.911973 -41.0392 -46.1714 2.73939 -47.7062 -11.7222 TIMING: 3276400 CPU: 10421.6, 0.0032169/step Wall: 10421.6, 0.0032169/step, 1.54018 hours remaining, 241.117188 MB of memory in use. ENERGY: 3276400 4019.2005 20568.4223 14443.3657 245.7259 -203934.6541 2641.1631 0.0000 0.0000 52091.9310 -109924.8455 299.3730 -162016.7766 -109561.5600 298.8906 64.8155 91.1304 761195.4969 -18.7060 -18.7721 PRESSURE: 3276600 -202.119 -108.45 87.1229 -108.45 -410.176 -76.667 87.1231 -76.6672 239.264 GPRESSURE: 3276600 -149.713 -152.104 74.1824 -68.2919 -354.48 -94.4611 49.5597 -142.938 216.577 PRESSAVG: 3276600 43.2071 11.2013 5.48477 11.2013 -33.5293 -8.13391 5.48476 -8.13386 -21.3223 GPRESSAVG: 3276600 43.1093 10.6623 5.78167 13.9669 -35.5469 -10.0391 2.32258 -6.30653 -19.6912 TIMING: 3276600 CPU: 10422.3, 0.00315661/step Wall: 10422.3, 0.00315661/step, 1.51114 hours remaining, 241.316406 MB of memory in use. ENERGY: 3276600 4038.7641 20605.3808 14408.6039 240.9681 -203487.5322 2454.7972 0.0000 0.0000 52008.6416 -109730.3766 298.8944 -161739.0181 -109363.7576 298.8051 -124.3437 -95.8719 760667.8074 -3.8815 -4.0429 PRESSURE: 3276800 -32.0831 249.191 138.682 249.191 -6.81727 128.548 138.682 128.548 -128.811 GPRESSURE: 3276800 0.168983 163.558 141.769 262.214 -46.5093 223.933 177.276 80.7216 -14.4961 PRESSAVG: 3276800 12.7409 22.1129 -55.3476 22.1129 -63.7906 -28.9088 -55.3476 -28.9088 -0.467951 GPRESSAVG: 3276800 12.0911 22.8068 -55.7589 20.2748 -63.4875 -28.4293 -52.8423 -30.4659 -0.139058 TIMING: 3276800 CPU: 10422.9, 0.00313603/step Wall: 10422.9, 0.00313603/step, 1.50111 hours remaining, 241.316406 MB of memory in use. ENERGY: 3276800 3988.7052 20546.1247 14451.0447 244.1758 -203412.3027 2820.0139 0.0000 0.0000 51794.2242 -109568.0143 297.6621 -161362.2385 -109204.1027 298.3706 -55.9037 -20.2788 763241.9578 -17.1725 -17.1785 PRESSURE: 3277000 -239.424 32.6908 79.3769 32.6906 65.068 -85.2994 79.3775 -85.299 144.087 GPRESSURE: 3277000 -176.559 13.6757 20.3883 29.4638 45.4228 -173.621 -2.45484 -75.4836 215.34 PRESSAVG: 3277000 -34.7022 -6.74586 10.2764 -6.74584 -9.8038 -27.1859 10.2764 -27.1858 -11.7895 GPRESSAVG: 3277000 -34.1024 -5.84191 9.78491 -5.76476 -9.88827 -27.4344 9.38775 -27.5095 -12.1816 TIMING: 3277000 CPU: 10423.5, 0.00314827/step Wall: 10423.5, 0.00314827/step, 1.5068 hours remaining, 241.316406 MB of memory in use. ENERGY: 3277000 3972.6347 20456.5649 14475.7920 263.3410 -203510.1166 2791.5346 0.0000 0.0000 52155.5833 -109394.6661 299.7389 -161550.2495 -109036.0324 298.9612 -10.0897 28.0677 762078.3070 -18.7652 -18.7241 PRESSURE: 3277200 323.232 -32.6845 244.553 -32.6842 88.125 113.574 244.554 113.574 53.1921 GPRESSURE: 3277200 244.734 9.99167 285.031 24.8726 172.997 115.711 270.165 117.581 147.097 PRESSAVG: 3277200 27.7474 63.674 16.5433 63.674 39.9705 -28.7527 16.5432 -28.7528 -24.9072 GPRESSAVG: 3277200 29.0428 61.8321 15.7221 63.6147 38.886 -29.6933 18.4001 -27.9874 -24.8469 TIMING: 3277200 CPU: 10424.2, 0.00312619/step Wall: 10424.2, 0.00312619/step, 1.49606 hours remaining, 241.316406 MB of memory in use. ENERGY: 3277200 3974.3742 20393.1797 14441.7486 226.4366 -203433.7136 2783.4449 0.0000 0.0000 52084.6937 -109529.8360 299.3315 -161614.5297 -109158.4687 299.4338 154.8496 188.2762 761226.7223 14.2702 14.3606 PRESSURE: 3277400 345.824 110.214 -19.3502 110.214 -57.2622 3.8528 -19.3504 3.85259 -113.031 GPRESSURE: 3277400 289.661 -83.394 3.55693 76.1489 32.3532 55.4796 -75.9977 -24.1835 -65.0325 PRESSAVG: 3277400 -27.7234 -45.1794 63.7671 -45.1795 22.3709 2.23891 63.767 2.23884 18.6619 GPRESSAVG: 3277400 -30.0011 -45.377 65.4347 -44.7165 24.7164 5.33537 61.8981 -0.283273 18.4814 TIMING: 3277400 CPU: 10424.8, 0.00315676/step Wall: 10424.8, 0.00315676/step, 1.51051 hours remaining, 241.316406 MB of memory in use. ENERGY: 3277400 4027.6254 20574.2867 14430.5390 244.7494 -203460.8363 2556.3782 0.0000 0.0000 52137.5561 -109489.7014 299.6353 -161627.2575 -109125.3462 299.2192 58.5102 85.6605 760385.8846 4.4365 4.3989 PRESSURE: 3277600 252.187 60.9472 178.061 60.9472 -80.1144 107.254 178.063 107.255 -29.232 GPRESSURE: 3277600 238.929 79.0311 198.862 94.3468 6.73889 45.9189 135.604 60.2576 -0.235983 PRESSAVG: 3277600 2.39652 -6.60946 38.1052 -6.60947 -43.2387 -10.702 38.1051 -10.702 10.7877 GPRESSAVG: 3277600 3.07401 -6.3941 37.9912 -8.03861 -43.5332 -12.8271 38.3402 -7.49068 11.06 TIMING: 3277600 CPU: 10425.4, 0.00318775/step Wall: 10425.4, 0.00318775/step, 1.52516 hours remaining, 241.316406 MB of memory in use. ENERGY: 3277600 3912.1770 20620.4236 14494.9138 256.2678 -203741.9310 2711.4808 0.0000 0.0000 52207.6022 -109539.0658 300.0378 -161746.6680 -109172.3761 299.5298 47.6135 81.8106 760956.1460 -10.0182 -9.7997 PRESSURE: 3277800 -349.839 -204.26 119.893 -204.26 -226.675 -64.261 119.893 -64.2615 5.44305 GPRESSURE: 3277800 -275.823 -276.218 101.951 -249.4 -249.446 -107.038 -90.257 -37.1961 46.8844 PRESSAVG: 3277800 13.8597 -9.30373 4.56076 -9.30367 -29.1936 41.2492 4.56077 41.2492 16.3187 GPRESSAVG: 3277800 13.8533 -8.45485 3.70771 -11.6889 -29.9533 40.915 4.81315 41.0318 16.6114 TIMING: 3277800 CPU: 10426.1, 0.00315034/step Wall: 10426.1, 0.00315034/step, 1.50709 hours remaining, 241.316406 MB of memory in use. ENERGY: 3277800 4017.2448 20685.4775 14523.6495 259.1650 -203308.8732 2314.2668 0.0000 0.0000 52084.0792 -109424.9904 299.3279 -161509.0697 -109063.5056 299.4266 -190.3569 -159.4616 761859.7165 0.3283 0.1704 PRESSURE: 3278000 -261.948 -244.093 -94.3338 -244.092 -41.5222 123.703 -94.3331 123.703 -263.73 GPRESSURE: 3278000 -311.546 -265.218 -50.8592 -120.371 66.7114 51.9208 -66.7928 98.5845 -249.886 PRESSAVG: 3278000 26.1911 -33.0559 48.4158 -33.0558 11.8505 -18.4329 48.4158 -18.4328 -5.99552 GPRESSAVG: 3278000 26.2129 -32.5271 47.6232 -31.7555 12.0406 -16.4797 49.4618 -18.4843 -6.58272 TIMING: 3278000 CPU: 10426.7, 0.00316879/step Wall: 10426.7, 0.00316879/step, 1.51574 hours remaining, 241.316406 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: 3278000 3997.5585 20721.2930 14435.1076 258.2154 -203377.8062 2392.7902 0.0000 0.0000 52053.7735 -109519.0680 299.1538 -161572.8415 -109165.3936 299.4791 -189.0667 -164.9070 760543.5000 10.6820 10.5569 PRESSURE: 3278200 -138.251 -149.167 70.8987 -149.168 70.6364 -22.6957 70.8991 -22.6954 -110.911 GPRESSURE: 3278200 -59.9133 -87.0978 44.9663 -138.329 19.7278 59.5652 4.55363 -65.0652 -48.4677 PRESSAVG: 3278200 -13.0171 21.4482 37.4361 21.4482 -0.702161 -15.8293 37.4361 -15.8293 -7.6743 GPRESSAVG: 3278200 -12.7245 21.5686 39.2011 22.6832 -0.78751 -18.3949 34.9418 -15.7156 -7.89994 TIMING: 3278200 CPU: 10427.3, 0.00315703/step Wall: 10427.3, 0.00315703/step, 1.50994 hours remaining, 241.316406 MB of memory in use. ENERGY: 3278200 4024.1352 20591.4993 14448.6705 234.7826 -203274.7551 2311.8082 0.0000 0.0000 52242.0092 -109421.8501 300.2355 -161663.8593 -109054.5129 299.4202 -59.5085 -29.5511 760637.6589 -7.1312 -7.1373 PRESSURE: 3278400 -417.83 -34.9214 22.5992 -34.9216 -413.59 241.405 22.5996 241.406 -63.2065 GPRESSURE: 3278400 -465.126 5.61083 51.5074 23.7522 -258.166 293.497 -5.08496 239.916 -82.415 PRESSAVG: 3278400 5.68805 -17.8338 28.3548 -17.8338 -15.0965 3.60696 28.3548 3.60705 -18.1639 GPRESSAVG: 3278400 4.83019 -17.9243 28.206 -18.1815 -15.7532 4.17779 29.2656 3.34524 -16.8059 TIMING: 3278400 CPU: 10427.9, 0.00313953/step Wall: 10427.9, 0.00313953/step, 1.5014 hours remaining, 241.316406 MB of memory in use. ENERGY: 3278400 4078.1625 20530.3383 14439.3117 249.3831 -202657.6492 1840.7328 0.0000 0.0000 52173.7575 -109345.9633 299.8433 -161519.7208 -108988.0455 299.6849 -298.2088 -268.5687 760359.4204 -9.1908 -9.2430 PRESSURE: 3278600 -274.453 36.3498 -84.1944 36.3495 -349.925 -3.35201 -84.1933 -3.35262 -109.384 GPRESSURE: 3278600 -297.644 167.395 -140.581 97.3345 -225.152 22.9276 -90.189 -42.1196 -118.146 PRESSAVG: 3278600 14.0268 1.83523 22.8765 1.83525 -7.69769 16.746 22.8765 16.7461 15.3199 GPRESSAVG: 3278600 13.3953 -0.766553 21.8827 3.14831 -7.22423 18.2946 23.9912 16.3078 15.3785 TIMING: 3278600 CPU: 10428.6, 0.00313003/step Wall: 10428.6, 0.00313003/step, 1.49668 hours remaining, 241.316406 MB of memory in use. ENERGY: 3278600 3969.2620 20591.4883 14476.7617 227.9229 -202782.7573 2170.0312 0.0000 0.0000 52143.5432 -109203.7479 299.6697 -161347.2911 -108849.3057 299.8135 -244.5872 -213.6473 762535.4856 7.2163 7.1832 PRESSURE: 3278800 -123.099 75.5792 -1.03497 75.5793 134.846 0.29311 -1.0347 0.29325 164.153 GPRESSURE: 3278800 -92.6992 45.5729 25.3599 34.8767 171.086 58.9119 204.869 -43.2335 185.23 PRESSAVG: 3278800 -60.7096 -5.28717 -8.92555 -5.28719 45.0222 -26.921 -8.92553 -26.921 3.10138 GPRESSAVG: 3278800 -60.9612 -1.62786 -8.2014 -6.05728 44.9272 -27.1275 -8.34533 -28.4044 3.38058 TIMING: 3278800 CPU: 10429.2, 0.00315346/step Wall: 10429.2, 0.00315346/step, 1.50771 hours remaining, 241.316406 MB of memory in use. ENERGY: 3278800 3964.9449 20584.7864 14552.8069 240.8948 -203310.6951 2545.9436 0.0000 0.0000 52181.7678 -109239.5506 299.8893 -161421.3184 -108882.3611 299.6143 58.6330 87.8722 761801.3195 -4.1954 -4.2178 PRESSURE: 3279000 -61.1028 8.28843 -71.4561 8.28832 -97.4674 46.6783 -71.4552 46.6791 -83.8621 GPRESSURE: 3279000 -102.035 75.2123 1.20278 -8.64216 -20.9182 -65.6339 -119.507 64.7698 -38.9618 PRESSAVG: 3279000 -24.3254 -47.9006 11.0213 -47.9007 32.0028 -2.58271 11.0212 -2.58268 12.243 GPRESSAVG: 3279000 -22.6069 -47.5935 11.693 -48.5871 31.5258 -4.56 10.3972 -1.69332 10.2122 TIMING: 3279000 CPU: 10429.8, 0.00313563/step Wall: 10429.8, 0.00313563/step, 1.499 hours remaining, 241.316406 MB of memory in use. ENERGY: 3279000 3991.5539 20533.6039 14537.9565 245.7638 -202650.0809 2216.9300 0.0000 0.0000 52047.4963 -109076.7765 299.1177 -161124.2728 -108714.5676 299.7810 -80.8108 -53.9715 761340.7524 6.6401 6.3770 PRESSURE: 3279200 -107.127 40.2201 56.1428 40.2195 -184.48 -39.1172 56.1433 -39.1179 -297.467 GPRESSURE: 3279200 -120.819 29.3924 32.7577 28.9987 -182.195 3.02008 89.5744 -85.8873 -181.209 PRESSAVG: 3279200 -19.4523 -24.0711 1.7885 -24.0712 -1.52055 -15.5252 1.78846 -15.5252 -21.3634 GPRESSAVG: 3279200 -20.4702 -23.9968 0.803626 -23.8177 -1.02183 -15.0456 1.5375 -17.6902 -21.111 TIMING: 3279200 CPU: 10430.5, 0.00313766/step Wall: 10430.5, 0.00313767/step, 1.4998 hours remaining, 241.316406 MB of memory in use. ENERGY: 3279200 3959.3179 20478.9877 14558.0377 257.1095 -202893.6660 2399.7262 0.0000 0.0000 51896.0877 -109344.3994 298.2475 -161240.4870 -108985.5535 299.9759 -196.3578 -161.4078 761598.2054 -14.1121 -14.2010 PRESSURE: 3279400 60.6086 125.94 54.1986 125.94 339.54 -28.384 54.1988 -28.385 33.3825 GPRESSURE: 3279400 158.695 123.799 34.8385 97.0964 354.482 -28.7931 -29.8179 -47.3132 -10.358 PRESSAVG: 3279400 27.4747 -38.9269 13.4904 -38.9269 4.96007 36.6738 13.4903 36.6738 16.2041 GPRESSAVG: 3279400 27.2701 -40.1737 12.896 -40.7464 4.68326 37.0941 13.0927 39.1056 16.1461 TIMING: 3279400 CPU: 10431.1, 0.00313513/step Wall: 10431.1, 0.00313513/step, 1.49842 hours remaining, 241.316406 MB of memory in use. ENERGY: 3279400 4135.9840 20473.7491 14503.6011 245.7158 -203677.3058 2771.4322 0.0000 0.0000 52423.8745 -109122.9492 301.2807 -161546.8236 -108752.9330 299.8461 144.5104 167.6064 761477.0091 16.2129 16.0331 PRESSURE: 3279600 2.78554 -78.483 -177.534 -78.482 243.346 -128.53 -177.534 -128.529 209.7 GPRESSURE: 3279600 2.63812 -62.4338 -223.918 89.5269 356.521 -5.40898 -206.233 -112.884 173.563 PRESSAVG: 3279600 9.48594 -56.2811 -10.9653 -56.2811 -13.6446 -35.1432 -10.9653 -35.1431 2.86462 GPRESSAVG: 3279600 10.1529 -57.5094 -12.3476 -55.5411 -13.5711 -34.708 -9.17952 -33.779 1.99253 TIMING: 3279600 CPU: 10431.7, 0.00312366/step Wall: 10431.7, 0.00312366/step, 1.49276 hours remaining, 241.316406 MB of memory in use. ENERGY: 3279600 4024.6340 20499.3574 14544.9310 255.2719 -203376.1410 2512.2573 0.0000 0.0000 52274.1885 -109265.5009 300.4205 -161539.6894 -108899.4667 300.2388 151.9440 177.5741 760047.2873 -0.4314 -0.4752 PRESSURE: 3279800 -135.894 -35.4225 -75.2429 -35.4224 10.0825 -35.1871 -75.2427 -35.1875 -494.727 GPRESSURE: 3279800 -149.06 -21.6574 -24.9804 -154.013 36.622 -45.9239 -77.215 -146.19 -415.425 PRESSAVG: 3279800 -17.0092 -8.90773 -4.08062 -8.90775 25.6817 8.79835 -4.08058 8.79841 17.7761 GPRESSAVG: 3279800 -17.8001 -5.92971 -2.71643 -8.79251 26.2672 8.87049 -3.74488 6.59904 18.4191 TIMING: 3279800 CPU: 10432.3, 0.0031409/step Wall: 10432.3, 0.0031409/step, 1.50083 hours remaining, 241.316406 MB of memory in use. ENERGY: 3279800 4006.8730 20501.3123 14465.7767 257.4729 -203063.0068 2449.4724 0.0000 0.0000 51991.3900 -109390.7095 298.7952 -161382.0995 -109019.7507 299.3220 -206.8462 -175.9544 762260.3252 8.8162 8.9621 PRESSURE: 3280000 -308.596 -10.1438 -62.9629 -10.1426 -101.694 -65.2009 -62.9629 -65.2011 82.9023 GPRESSURE: 3280000 -176.237 11.0139 -141.744 -109.287 -127.951 -86.5332 -30.5166 -67.7291 55.1769 PRESSAVG: 3280000 33.8811 -39.7611 -16.5884 -39.7611 7.43239 -23.2405 -16.5884 -23.2404 -2.38448 GPRESSAVG: 3280000 34.1774 -40.8325 -15.901 -38.0153 7.02606 -23.5892 -17.221 -22.8876 -2.60341 TIMING: 3280000 CPU: 10433, 0.00315216/step Wall: 10433, 0.00315216/step, 1.50603 hours remaining, 241.316406 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: 3280000 4042.6306 20474.5828 14520.5014 251.9785 -203004.2300 2245.2460 0.0000 0.0000 52155.1656 -109314.1252 299.7365 -161469.2908 -108961.6046 299.5131 -109.1292 -83.0038 762201.5606 12.9763 12.8667 PRESSURE: 3280200 181.506 -143.874 -58.3085 -143.874 100.056 -177.28 -58.3087 -177.28 489.034 GPRESSURE: 3280200 198.232 -108.824 -13.0131 -243.781 119.672 -177.222 -64.534 -107.77 548.873 PRESSAVG: 3280200 -18.3717 -61.0972 -34.8149 -61.0972 -14.8086 -58.3717 -34.8148 -58.3717 1.57949 GPRESSAVG: 3280200 -19.0504 -63.2474 -34.278 -61.1752 -13.4179 -58.3027 -35.3297 -55.7291 0.551137 TIMING: 3280200 CPU: 10433.6, 0.00315994/step Wall: 10433.6, 0.00315994/step, 1.50957 hours remaining, 241.316406 MB of memory in use. ENERGY: 3280200 3885.4974 20571.9681 14511.0177 255.7076 -203626.5773 2794.7010 0.0000 0.0000 52015.6305 -109592.0550 298.9345 -161607.6855 -109227.9877 299.4127 256.8652 288.9255 760461.3391 -10.5336 -10.6391 LDB: ============= START OF LOAD BALANCING ============== 10446.1 LDB: ============== END OF LOAD BALANCING =============== 10446.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10446.1 LDB: ============= START OF LOAD BALANCING ============== 10446.4 LDB: Largest compute 7059 load 0.034706 is 17.8% of average load 0.195412 LDB: Average compute 0.004386 is 2.2% of average load 0.195412 LDB: TIME 10446.4 LOAD: AVG 0.195412 MAX 0.212165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 10446.4 LOAD: AVG 0.195412 MAX 0.212165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: TIME 10446.4 LOAD: AVG 0.195412 MAX 0.212165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.219 MB LDB: ============== END OF LOAD BALANCING =============== 10446.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10446.4 PRESSURE: 3280400 -138.559 -97.3163 -96.0292 -97.3166 -190.188 -219.654 -96.0298 -219.653 -325.95 GPRESSURE: 3280400 -78.2716 -72.0891 -64.4811 -113.787 -135.658 -177.892 -110.732 -190.844 -344.485 PRESSAVG: 3280400 10.8646 -32.3596 -31.1702 -32.3596 6.02017 -13.9116 -31.1702 -13.9117 1.21611 GPRESSAVG: 3280400 10.838 -31.8227 -32.727 -32.1927 4.44308 -14.4535 -30.231 -13.8272 3.12145 TIMING: 3280400 CPU: 10434.2, 0.00322011/step Wall: 10434.2, 0.00322011/step, 1.53814 hours remaining, 240.402344 MB of memory in use. ENERGY: 3280400 4022.1429 20595.9083 14421.6854 231.9020 -203239.2053 2509.9554 0.0000 0.0000 52015.3054 -109442.3059 298.9327 -161457.6113 -109082.9784 298.9425 -218.2324 -186.1383 761737.2623 6.0336 6.1342 PRESSURE: 3280600 -39.8547 -6.28363 83.2792 -6.28296 -533.066 144.605 83.2799 144.606 -357.653 GPRESSURE: 3280600 -127.206 23.2977 172.284 29.2745 -472.796 59.6037 -56.4046 38.8513 -254.084 PRESSAVG: 3280600 22.8951 -35.2315 -23.4238 -35.2315 -17.5543 -39.2214 -23.4239 -39.2214 22.5773 GPRESSAVG: 3280600 22.642 -34.9248 -23.4919 -34.9114 -18.2314 -38.1934 -24.7314 -41.5522 23.009 TIMING: 3280600 CPU: 10434.9, 0.00318118/step Wall: 10434.9, 0.00318118/step, 1.51937 hours remaining, 240.472656 MB of memory in use. ENERGY: 3280600 4071.5441 20544.8139 14548.3629 243.3311 -202980.1891 2224.3354 0.0000 0.0000 52069.4183 -109278.3834 299.2437 -161347.8017 -108923.9262 299.4090 -310.1912 -284.6954 762275.4794 9.3060 9.1399 PRESSURE: 3280800 239.747 -63.5419 -139.882 -63.5434 295.801 -26.6464 -139.882 -26.6463 12.7328 GPRESSURE: 3280800 318.361 -191.875 -74.5372 -54.8818 254.561 -20.0637 -182.09 -17.4446 43.5659 PRESSAVG: 3280800 3.52843 -26.6003 46.4834 -26.6004 -5.19237 5.23368 46.4834 5.23366 14.0606 GPRESSAVG: 3280800 4.66808 -27.616 47.7001 -26.4495 -4.4116 4.97312 47.3882 6.52041 12.5315 TIMING: 3280800 CPU: 10435.5, 0.00317695/step Wall: 10435.5, 0.00317695/step, 1.51717 hours remaining, 240.472656 MB of memory in use. ENERGY: 3280800 4010.4962 20606.4438 14479.4062 239.7951 -203606.6190 2918.2299 0.0000 0.0000 52024.7665 -109327.4814 298.9870 -161352.2478 -108967.5330 299.3001 182.7606 205.4958 762436.6526 4.1322 4.2627 PRESSURE: 3281000 -34.2278 -157.742 114.416 -157.74 380.288 -49.8122 114.417 -49.8116 390.467 GPRESSURE: 3281000 151.779 -187.622 44.9082 -206.618 311.992 63.129 53.4854 32.6903 364.596 PRESSAVG: 3281000 -24.4885 -107.517 -20.7562 -107.517 31.1818 26.2743 -20.7562 26.2744 9.23762 GPRESSAVG: 3281000 -24.7329 -105.741 -23.1364 -108.509 29.7517 26.3307 -21.3788 26.0372 10.2516 TIMING: 3281000 CPU: 10436.2, 0.00316928/step Wall: 10436.2, 0.00316928/step, 1.51333 hours remaining, 240.472656 MB of memory in use. ENERGY: 3281000 4069.8917 20545.1678 14498.5755 240.6128 -203204.2143 2480.9166 0.0000 0.0000 52002.4587 -109366.5912 298.8588 -161369.0499 -109012.0905 299.2541 245.5091 276.1224 760133.2452 5.3103 5.0901 PRESSURE: 3281200 -237.08 110.449 -277.569 110.448 -106.116 -98.2505 -277.569 -98.2501 0.304537 GPRESSURE: 3281200 -76.1566 73.9048 -310.561 42.8113 -120.988 -83.1525 -348.903 -175.543 -47.8006 PRESSAVG: 3281200 32.0587 -8.54068 -31.0345 -8.54071 -9.81238 32.259 -31.0346 32.259 2.16745 GPRESSAVG: 3281200 32.5567 -9.15031 -29.1785 -10.0338 -9.20917 32.1567 -30.8438 31.7433 1.15384 TIMING: 3281200 CPU: 10436.8, 0.00316529/step Wall: 10436.8, 0.00316528/step, 1.51125 hours remaining, 240.472656 MB of memory in use. ENERGY: 3281200 4029.2009 20699.3092 14508.5470 242.7407 -203052.3571 2275.5628 0.0000 0.0000 51786.3490 -109510.6475 297.6169 -161296.9965 -109148.7778 299.4118 -114.2971 -81.6483 760496.9901 8.1379 8.1671 PRESSURE: 3281400 61.6198 41.3783 54.1508 41.3787 114.665 -113.258 54.1512 -113.258 7.7839 GPRESSURE: 3281400 50.5024 73.7142 16.1815 14.0814 136.256 -95.4326 -45.4 5.31739 75.0357 PRESSAVG: 3281400 -49.708 -63.0908 -32.2356 -63.0907 2.87978 25.8612 -32.2356 25.8613 -19.7646 GPRESSAVG: 3281400 -49.6367 -62.4114 -32.1896 -62.6735 3.04794 26.1257 -33.7201 26.4793 -20.0835 TIMING: 3281400 CPU: 10437.4, 0.00314174/step Wall: 10437.4, 0.00314174/step, 1.49983 hours remaining, 240.472656 MB of memory in use. ENERGY: 3281400 4051.6421 20554.5422 14490.1912 238.0267 -203656.5258 2873.8759 0.0000 0.0000 51714.1890 -109734.0587 297.2022 -161448.2477 -109383.0289 298.9558 61.3562 87.2647 760832.8120 -22.1976 -22.2241 PRESSURE: 3281600 -8.17714 -6.31113 100.557 -6.31152 -61.4343 -348.875 100.558 -348.875 245.103 GPRESSURE: 3281600 41.8699 39.0796 143.405 0.088724 -29.0927 -238.779 166.522 -312.349 225.75 PRESSAVG: 3281600 -71.1819 -3.97847 -27.3249 -3.97847 21.5504 -53.8727 -27.3248 -53.8727 5.33776 GPRESSAVG: 3281600 -72.0468 -4.52918 -26.7889 -2.08248 22.8914 -52.2383 -28.5068 -55.015 5.0585 TIMING: 3281600 CPU: 10438, 0.00314207/step Wall: 10438, 0.00314207/step, 1.49981 hours remaining, 240.472656 MB of memory in use. ENERGY: 3281600 3957.6729 20530.0589 14533.8690 255.6045 -203593.7204 2497.9681 0.0000 0.0000 51878.2725 -109940.2745 298.1451 -161818.5470 -109588.6531 298.5446 58.4972 79.5090 759981.7082 -14.7646 -14.6990 PRESSURE: 3281800 -298.299 -24.6527 -246.503 -24.6534 -27.3622 140.344 -246.503 140.344 -160.995 GPRESSURE: 3281800 -302.943 66.1467 -283.883 -12.5438 71.6636 137.768 -161.211 149.884 -184.758 PRESSAVG: 3281800 -25.092 -18.5469 -44.7491 -18.5469 30.2528 -37.401 -44.7491 -37.4009 11.9895 GPRESSAVG: 3281800 -26.111 -17.7571 -45.917 -19.7933 30.7671 -37.974 -40.4385 -34.6438 12.7039 TIMING: 3281800 CPU: 10438.7, 0.00313247/step Wall: 10438.7, 0.00313247/step, 1.49506 hours remaining, 240.472656 MB of memory in use. ENERGY: 3281800 4028.6268 20467.5491 14449.3352 225.7431 -203943.2372 2829.6702 0.0000 0.0000 51956.2776 -109986.0353 298.5934 -161942.3128 -109626.3554 298.5444 -162.2190 -138.6793 761433.7486 5.7168 5.7867 PRESSURE: 3282000 106.415 -4.4725 -96.3341 -4.47178 -276.942 193.773 -96.334 193.773 170.444 GPRESSURE: 3282000 141.722 34.9953 -99.542 18.9873 -213.519 97.0806 -88.0144 114.877 161.147 PRESSAVG: 3282000 -67.3192 -58.5712 -26.169 -58.5712 54.6928 -2.90657 -26.1691 -2.90659 -3.51776 GPRESSAVG: 3282000 -67.6863 -58.4125 -26.1679 -57.7302 54.6582 -3.58287 -29.1218 -4.87103 -2.801 TIMING: 3282000 CPU: 10439.3, 0.00314906/step Wall: 10439.3, 0.00314906/step, 1.5028 hours remaining, 240.472656 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: 3282000 3983.0134 20426.8886 14527.5144 227.1183 -203805.4758 2621.2398 0.0000 0.0000 52027.6210 -109992.0804 299.0035 -162019.7014 -109630.5220 298.5916 -0.0279 29.7830 760203.9394 -5.3814 -5.2764 PRESSURE: 3282200 -475.081 -138.808 -16.4984 -138.808 -284.993 51.6959 -16.4978 51.697 -223.282 GPRESSURE: 3282200 -275.057 -138.317 87.2325 -82.4527 -354.196 31.1399 16.8785 -39.4327 -238.913 PRESSAVG: 3282200 -14.2928 -57.3826 -46.4927 -57.3826 23.0458 44.9573 -46.4927 44.9572 -0.566337 GPRESSAVG: 3282200 -13.5639 -58.4367 -46.5648 -59.2351 23.1531 44.863 -45.5796 44.0734 -1.29514 TIMING: 3282200 CPU: 10439.9, 0.00314453/step Wall: 10439.9, 0.00314453/step, 1.50046 hours remaining, 240.472656 MB of memory in use. ENERGY: 3282200 3983.5545 20522.7328 14456.0112 249.1546 -203629.9837 2418.1580 0.0000 0.0000 52143.3340 -109857.0386 299.6685 -162000.3725 -109503.9706 298.7826 -327.7855 -289.3886 760207.9116 2.7289 2.7647 PRESSURE: 3282400 -365.249 -93.1669 136.855 -93.1671 98.5674 36.5772 136.855 36.5772 89.4396 GPRESSURE: 3282400 -298.292 -3.5521 185.257 -138.345 91.1789 132.48 125.367 -17.6553 107.253 PRESSAVG: 3282400 -12.8009 -32.0737 -5.19679 -32.0737 7.13491 3.09469 -5.19674 3.09464 -0.612666 GPRESSAVG: 3282400 -13.08 -29.7097 -4.79911 -31.4576 7.38023 4.64138 -8.69816 4.27559 -0.97118 TIMING: 3282400 CPU: 10440.6, 0.00314242/step Wall: 10440.6, 0.00314242/step, 1.49928 hours remaining, 240.472656 MB of memory in use. ENERGY: 3282400 3966.0704 20576.1171 14445.6544 251.5626 -203156.6813 2371.0395 0.0000 0.0000 51746.3625 -109799.8748 297.3871 -161546.2373 -109445.0222 298.4029 -59.0808 -33.2866 762490.7032 -2.0929 -2.2237 PRESSURE: 3282600 -78.0263 -246.891 -199.79 -246.891 199.675 104.795 -199.789 104.795 -151.568 GPRESSURE: 3282600 -103.614 -371.54 -233.447 -238.964 174.512 103.845 -48.7557 -19.2332 -20.2704 PRESSAVG: 3282600 36.0419 -49.7272 -21.8277 -49.7273 -50.5296 37.2938 -21.8277 37.2939 -16.1505 GPRESSAVG: 3282600 35.8183 -52.3574 -21.4957 -49.3712 -50.9693 35.7118 -17.8453 36.377 -15.787 TIMING: 3282600 CPU: 10441.2, 0.00314343/step Wall: 10441.2, 0.00314343/step, 1.49959 hours remaining, 240.472656 MB of memory in use. ENERGY: 3282600 3962.4805 20487.9596 14500.0467 242.2827 -203633.9282 2698.6244 0.0000 0.0000 51921.7484 -109820.7859 298.3950 -161742.5344 -109453.6721 298.4806 -9.9732 16.8758 760000.7950 -10.2127 -10.3127 PRESSURE: 3282800 -134.551 109.671 9.10777 109.671 -403.863 45.5547 9.10734 45.554 -17.4772 GPRESSURE: 3282800 -87.8402 213.906 -90.0384 106.1 -328.995 199.569 54.6453 5.69089 -56.7078 PRESSAVG: 3282800 -18.8195 -41.5297 34.789 -41.5297 -6.64736 37.5753 34.789 37.5753 -6.4398 GPRESSAVG: 3282800 -18.1175 -39.4175 34.6582 -41.6807 -7.86135 37.7308 33.2828 36.4644 -6.44888 TIMING: 3282800 CPU: 10441.8, 0.00315256/step Wall: 10441.8, 0.00315256/step, 1.50377 hours remaining, 240.472656 MB of memory in use. ENERGY: 3282800 3989.7166 20432.3879 14549.7368 235.1357 -203567.5916 2598.1872 0.0000 0.0000 51919.8336 -109842.5937 298.3840 -161762.4273 -109476.8178 298.5510 -185.2972 -157.8476 761512.0010 -10.6356 -10.8092 PRESSURE: 3283000 -111.167 -155.401 101.653 -155.401 123.125 120.573 101.653 120.573 -23.1993 GPRESSURE: 3283000 -63.6254 -246.405 38.3866 -91.6136 184.546 67.3565 93.6636 -52.3935 -27.5333 PRESSAVG: 3283000 -37.8529 -7.24878 -20.1018 -7.2488 42.249 96.9453 -20.1019 96.9452 24.5267 GPRESSAVG: 3283000 -37.494 -10.1205 -21.3502 -5.37879 42.424 97.2532 -20.7514 97.5078 23.9914 TIMING: 3283000 CPU: 10442.4, 0.00317338/step Wall: 10442.4, 0.00317338/step, 1.51353 hours remaining, 240.472656 MB of memory in use. ENERGY: 3283000 3941.2268 20349.5409 14505.5161 245.6034 -203396.2829 2494.7368 0.0000 0.0000 51946.1148 -109913.5440 298.5350 -161859.6588 -109548.5504 297.7631 -3.7471 31.1291 761799.7003 9.6409 9.6405 PRESSURE: 3283200 99.4273 179.309 -90.5845 179.31 147.027 161.241 -90.5848 161.241 -129.374 GPRESSURE: 3283200 181.575 148.908 11.5876 131.422 136.497 147.093 -95.8263 89.0363 -126.916 PRESSAVG: 3283200 -86.2134 -10.3811 -42.3165 -10.3811 106.693 34.6965 -42.3164 34.6965 14.5203 GPRESSAVG: 3283200 -85.6591 -8.29195 -42.5954 -13.2513 106.6 34.7278 -41.4441 34.0077 13.9209 TIMING: 3283200 CPU: 10443.1, 0.00315562/step Wall: 10443.1, 0.00315562/step, 1.50488 hours remaining, 240.472656 MB of memory in use. ENERGY: 3283200 3884.1834 20525.1395 14509.0590 235.1076 -203577.9611 2644.5978 0.0000 0.0000 51914.2943 -109865.5796 298.3522 -161779.8738 -109506.3733 297.9486 39.0267 63.7186 759560.3444 11.6667 11.6207 PRESSURE: 3283400 -155.806 149.2 0.926166 149.201 -290.422 -28.3408 0.926291 -28.3401 330.631 GPRESSURE: 3283400 -97.7038 78.2684 -17.9654 105.257 -270.496 -12.6161 -0.353453 5.29878 341.759 PRESSAVG: 3283400 -14.2625 9.94924 -9.50483 9.94918 30.3824 -16.6765 -9.50483 -16.6765 -10.9973 GPRESSAVG: 3283400 -15.5134 9.82122 -9.89562 11.7666 30.5759 -15.8762 -8.92512 -15.6312 -9.98718 TIMING: 3283400 CPU: 10443.7, 0.00316148/step Wall: 10443.7, 0.00316148/step, 1.5075 hours remaining, 240.472656 MB of memory in use. ENERGY: 3283400 3942.2058 20472.0519 14495.1870 247.1081 -203155.7349 2196.9958 0.0000 0.0000 51838.1637 -109964.0226 297.9146 -161802.1863 -109604.7501 297.9856 -38.5323 -8.8137 760444.8110 1.7075 1.6918 PRESSURE: 3283600 33.8509 149.558 -32.3525 149.557 -197.086 174.588 -32.3531 174.588 -166.864 GPRESSURE: 3283600 -125.623 159.957 -21.6165 118.806 -6.39253 148.209 -56.6632 106.688 -134.386 PRESSAVG: 3283600 -3.46532 6.2458 -47.8637 6.24583 -7.21017 4.28556 -47.8637 4.28557 23.0655 GPRESSAVG: 3283600 -4.22514 4.97271 -46.7455 6.375 -6.99513 2.66993 -46.2989 3.53549 23.0989 TIMING: 3283600 CPU: 10444.4, 0.00319177/step Wall: 10444.4, 0.00319177/step, 1.52176 hours remaining, 240.472656 MB of memory in use. ENERGY: 3283600 3908.9660 20442.5295 14484.9371 239.8104 -203066.7345 2037.9726 0.0000 0.0000 51990.0080 -109962.5110 298.7873 -161952.5189 -109597.0620 298.6111 -110.0333 -88.8005 760465.0438 4.1300 3.9595 PRESSURE: 3283800 -28.5914 -51.4708 2.92465 -51.4712 -136.341 -71.9581 2.92451 -71.9578 85.0289 GPRESSURE: 3283800 -19.4289 -83.2215 -22.7678 -39.0171 -5.4535 -129.141 100.206 -24.3651 52.1933 PRESSAVG: 3283800 -10.9351 34.5542 15.5463 34.5541 -10.3432 -19.5046 15.5463 -19.5045 15.4264 GPRESSAVG: 3283800 -10.7523 34.7579 15.5366 34.9078 -10.0379 -17.3497 13.7067 -18.1514 14.3903 TIMING: 3283800 CPU: 10445, 0.00315618/step Wall: 10445, 0.00315618/step, 1.50462 hours remaining, 240.472656 MB of memory in use. ENERGY: 3283800 4016.2868 20432.5173 14412.9630 242.9738 -203438.2996 2423.7726 0.0000 0.0000 51918.0734 -109991.7128 298.3739 -161909.7862 -109621.9037 298.3506 -26.6344 9.1036 760213.5227 -1.9506 -2.1333 PRESSURE: 3284000 -281.633 -231.471 -31.277 -231.471 260.114 -323.74 -31.2774 -323.74 -157.765 GPRESSURE: 3284000 -176.713 -130.405 15.7555 -89.9917 266.843 -370.491 21.9838 -222.687 -176.631 PRESSAVG: 3284000 15.6081 -43.5286 6.64151 -43.5286 4.41424 -48.4318 6.64153 -48.4318 15.3674 GPRESSAVG: 3284000 16.1088 -42.5108 7.83601 -42.0151 3.52197 -50.8304 6.73663 -47.1037 15.6661 TIMING: 3284000 CPU: 10445.6, 0.0031449/step Wall: 10445.6, 0.0031449/step, 1.49907 hours remaining, 240.472656 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: 3284000 3949.8450 20393.0559 14544.6151 232.6430 -203164.1373 2419.3486 0.0000 0.0000 51793.1529 -109831.4767 297.6560 -161624.6296 -109467.9272 298.3057 -59.7611 -28.8336 759868.3554 11.7966 11.7656 PRESSURE: 3284200 -187.726 -219.809 49.0898 -219.809 -151.567 56.8083 49.0902 56.8085 320.325 GPRESSURE: 3284200 -233.112 -142.153 30.6424 -217.842 -67.7679 69.2311 163.365 -51.236 380.979 PRESSAVG: 3284200 23.995 -38.4448 -15.1333 -38.4449 -6.03505 -50.3136 -15.1333 -50.3136 6.07794 GPRESSAVG: 3284200 22.8866 -37.5944 -16.0405 -39.5593 -5.70228 -48.4145 -16.8361 -51.5187 6.86249 TIMING: 3284200 CPU: 10446.2, 0.00314731/step Wall: 10446.2, 0.00314731/step, 1.50004 hours remaining, 240.472656 MB of memory in use. ENERGY: 3284200 3934.6028 20581.5185 14490.6577 265.8852 -203116.0448 2241.0506 0.0000 0.0000 51917.5776 -109684.7525 298.3710 -161602.3300 -109328.4386 298.6373 -6.3225 26.6998 759512.6273 8.0126 8.0156 LDB: ============= START OF LOAD BALANCING ============== 10458.7 LDB: ============== END OF LOAD BALANCING =============== 10458.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10458.7 LDB: ============= START OF LOAD BALANCING ============== 10459 LDB: Largest compute 7031 load 0.034621 is 17.7% of average load 0.195391 LDB: Average compute 0.004380 is 2.2% of average load 0.195391 LDB: TIME 10459 LOAD: AVG 0.195391 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.266 MB LDB: TIME 10459 LOAD: AVG 0.195391 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.305 MB LDB: TIME 10459 LOAD: AVG 0.195391 MAX 0.215459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.305 MB LDB: ============== END OF LOAD BALANCING =============== 10459 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10459 PRESSURE: 3284400 -41.5837 90.8651 120.232 90.8654 -10.8586 189.469 120.231 189.469 -11.4573 GPRESSURE: 3284400 63.7077 115.668 113.601 70.6601 -48.1922 202.111 171.625 94.0655 -3.14595 PRESSAVG: 3284400 29.7609 -6.41388 23.3136 -6.4139 -25.2812 34.667 23.3135 34.6671 -16.9284 GPRESSAVG: 3284400 29.3911 -6.264 23.6748 -7.42451 -24.9965 33.6326 25.5258 36.1012 -16.2954 TIMING: 3284400 CPU: 10446.9, 0.00320425/step Wall: 10446.9, 0.00320425/step, 1.527 hours remaining, 241.890625 MB of memory in use. ENERGY: 3284400 3971.9279 20556.3664 14547.6565 261.3371 -203445.7828 2470.1567 0.0000 0.0000 52028.8234 -109609.5148 299.0104 -161638.3382 -109249.3455 299.5208 -21.2999 4.1232 759959.1359 -4.1496 -3.9669 PRESSURE: 3284600 -132.008 -75.8932 83.8246 -75.8926 248.866 55.6863 83.8244 55.6863 411.338 GPRESSURE: 3284600 -32.6442 -131.622 64.6684 -48.0067 247.55 55.9726 32.8205 46.0536 394.101 PRESSAVG: 3284600 -17.7713 -14.3271 -24.0155 -14.3271 8.38426 9.37158 -24.0156 9.3716 -11.4977 GPRESSAVG: 3284600 -17.1257 -14.8139 -25.2914 -14.986 7.93959 10.2332 -26.3279 7.89309 -12.1914 TIMING: 3284600 CPU: 10447.5, 0.00314726/step Wall: 10447.5, 0.00314727/step, 1.49967 hours remaining, 241.890625 MB of memory in use. ENERGY: 3284600 3934.8475 20649.7238 14497.0002 246.3624 -203590.7073 2798.2632 0.0000 0.0000 52049.0631 -109415.4471 299.1267 -161464.5102 -109048.8715 299.0298 176.0654 203.0022 762040.3398 -6.9616 -7.1258 PRESSURE: 3284800 81.3334 221.757 -116.563 221.757 147.179 123.663 -116.564 123.663 194.094 GPRESSURE: 3284800 128.899 93.0671 -100.533 198.312 137.146 91.2698 -70.1282 109.547 239.309 PRESSAVG: 3284800 6.30326 -1.83516 -26.1327 -1.83514 50.3622 40.3703 -26.1327 40.3703 -4.53359 GPRESSAVG: 3284800 6.76806 -2.7797 -25.7476 -2.78163 49.3137 38.7155 -24.697 40.6016 -3.44423 TIMING: 3284800 CPU: 10448.1, 0.00313238/step Wall: 10448.1, 0.00313238/step, 1.4924 hours remaining, 241.890625 MB of memory in use. ENERGY: 3284800 3938.2264 20451.3209 14505.3139 240.3206 -203795.9293 2763.4367 0.0000 0.0000 52190.9287 -109706.3820 299.9420 -161897.3108 -109347.9462 299.1548 140.8686 168.4512 759018.7570 17.3773 17.5458 PRESSURE: 3285000 124.816 -158.342 -103.824 -158.342 173.647 -76.1806 -103.823 -76.1807 -206.716 GPRESSURE: 3285000 81.5093 -84.2481 -164.504 -138.238 220.266 -106.374 -76.4722 -34.7271 -146.222 PRESSAVG: 3285000 18.6617 7.97511 -27.4946 7.97508 -7.93902 15.1913 -27.4946 15.1913 18.1059 GPRESSAVG: 3285000 18.8057 9.14825 -25.9875 8.50404 -7.49525 15.1546 -27.7845 17.6412 17.2943 TIMING: 3285000 CPU: 10448.8, 0.00314184/step Wall: 10448.8, 0.00314184/step, 1.49674 hours remaining, 241.890625 MB of memory in use. ENERGY: 3285000 4014.3023 20324.8211 14493.1756 249.3804 -203473.9403 2647.9889 0.0000 0.0000 52155.0219 -109589.2501 299.7356 -161744.2720 -109234.5628 298.9980 30.5821 51.8509 760741.8783 9.6095 9.5349 PRESSURE: 3285200 57.4957 181.745 -125.196 181.745 -286.975 -168.139 -125.196 -168.14 -107.308 GPRESSURE: 3285200 17.2146 48.6585 -151.524 160.861 -171.007 -118.927 -162.808 -182.564 -93.3782 PRESSAVG: 3285200 -11.6396 19.2853 -32.0502 19.2853 -47.4718 14.183 -32.0502 14.1829 -3.86653 GPRESSAVG: 3285200 -11.942 18.0108 -32.2424 20.5084 -47.1483 15.366 -32.8868 11.2084 -3.48935 TIMING: 3285200 CPU: 10449.4, 0.00312598/step Wall: 10449.4, 0.00312598/step, 1.48901 hours remaining, 241.890625 MB of memory in use. ENERGY: 3285200 4009.6747 20452.2961 14484.7801 252.1481 -203055.4050 2416.5230 0.0000 0.0000 51961.4450 -109478.5380 298.6231 -161439.9831 -109107.5768 298.5309 -112.2625 -82.3902 760876.0966 -20.9927 -20.8599 PRESSURE: 3285400 -135.941 133.81 -86.9875 133.811 -52.3875 135.314 -86.9869 135.314 -328.012 GPRESSURE: 3285400 -109.447 81.7881 -123.917 156.643 -40.9036 74.7323 -21.9466 66.5786 -259.333 PRESSAVG: 3285400 21.6311 -12.2727 -24.9302 -12.2726 -11.2714 19.286 -24.9303 19.286 9.7145 GPRESSAVG: 3285400 20.1171 -13.7512 -25.8152 -11.7518 -9.52933 19.2053 -24.4481 19.9535 10.1657 TIMING: 3285400 CPU: 10450, 0.00313059/step Wall: 10450, 0.00313059/step, 1.49103 hours remaining, 241.890625 MB of memory in use. ENERGY: 3285400 4002.8686 20545.4459 14545.0200 241.9501 -203018.4775 2341.7730 0.0000 0.0000 51961.6429 -109379.7769 298.6243 -161341.4197 -109027.2448 299.2835 -172.1135 -136.5611 760056.0155 6.6914 6.9178 PRESSURE: 3285600 184.52 15.631 -6.72985 15.6312 -182.83 200.397 -6.73001 200.397 -203.135 GPRESSURE: 3285600 186.842 65.586 -38.9447 34.2321 -141.79 226.812 -57.2362 169.26 -158.494 PRESSAVG: 3285600 16.247 -35.0691 10.288 -35.0691 -5.94648 2.45799 10.288 2.45795 -18.711 GPRESSAVG: 3285600 19.1653 -32.161 10.6433 -36.2439 -7.00097 2.41977 10.9267 2.18127 -20.3852 TIMING: 3285600 CPU: 10450.7, 0.00316689/step Wall: 10450.7, 0.00316689/step, 1.50814 hours remaining, 241.890625 MB of memory in use. ENERGY: 3285600 3987.6545 20630.3040 14480.1914 241.6207 -203093.3905 2350.2035 0.0000 0.0000 52165.3297 -109238.0867 299.7949 -161403.4165 -108880.7430 299.1276 -67.1485 -37.8142 759875.6206 -2.8035 -2.7403 PRESSURE: 3285800 -47.9979 -15.9453 209.821 -15.946 -204.611 227.908 209.822 227.908 -116.487 GPRESSURE: 3285800 -54.0458 16.293 297.078 84.9227 -203.488 188.729 228.551 149.732 -27.354 PRESSAVG: 3285800 34.6189 -27.4652 23.7361 -27.4652 -59.1988 14.2445 23.7362 14.2445 13.1415 GPRESSAVG: 3285800 33.5469 -27.2043 24.7215 -27.4484 -58.7318 15.5922 21.9632 12.6169 14.4768 TIMING: 3285800 CPU: 10451.3, 0.00314108/step Wall: 10451.3, 0.00314108/step, 1.49568 hours remaining, 241.890625 MB of memory in use. ENERGY: 3285800 3963.9704 20702.0925 14466.6752 252.4944 -203669.9451 2577.4304 0.0000 0.0000 52321.6465 -109385.6356 300.6932 -161707.2821 -109016.8910 299.6935 -123.0320 -94.9626 759785.9604 -3.8128 -3.5693 PRESSURE: 3286000 -1.94649 -89.7351 -253.261 -89.7351 -286.8 122.616 -253.261 122.618 303.802 GPRESSURE: 3286000 144.246 -182.702 -221.696 -53.4274 -276.961 143.281 -367.314 77.9515 225.804 PRESSAVG: 3286000 59.1629 -69.2536 -17.1278 -69.2536 -80.9068 11.8355 -17.1278 11.8356 -18.6892 GPRESSAVG: 3286000 58.9535 -71.0747 -17.5942 -68.4151 -80.7084 10.5055 -16.9798 13.895 -18.7028 TIMING: 3286000 CPU: 10451.9, 0.00314119/step Wall: 10451.9, 0.00314119/step, 1.49555 hours remaining, 241.890625 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: 3286000 4068.9287 20623.2080 14499.8679 250.7381 -203764.8500 2830.4212 0.0000 0.0000 52110.9426 -109380.7436 299.4823 -161491.6861 -109014.6370 299.5134 5.0188 31.0294 761106.9094 -13.4777 -13.4859 PRESSURE: 3286200 -122.813 -48.6731 -128.278 -48.6725 35.2201 -126.375 -128.279 -126.375 -502.65 GPRESSURE: 3286200 -79.8524 23.0169 -143.197 -89.8423 -41.6873 -231.697 -43.5482 -63.9567 -396.061 PRESSAVG: 3286200 29.2399 -77.1476 -29.2219 -77.1476 -18.2946 8.60433 -29.2219 8.60428 32.3726 GPRESSAVG: 3286200 30.1873 -76.8453 -29.7755 -77.1269 -19.303 8.34289 -28.6388 8.1542 33.0209 TIMING: 3286200 CPU: 10452.5, 0.00315468/step Wall: 10452.5, 0.00315468/step, 1.5018 hours remaining, 241.890625 MB of memory in use. ENERGY: 3286200 4055.0726 20519.1699 14490.4564 249.4031 -203119.3228 2156.2632 0.0000 0.0000 52113.9762 -109534.9812 299.4997 -161648.9575 -109169.7931 299.5647 -196.7475 -172.5336 761589.4919 14.4393 14.6351 PRESSURE: 3286400 -9.31046 25.1334 -199.681 25.1344 -380.781 -70.9941 -199.681 -70.9939 122.916 GPRESSURE: 3286400 -81.8303 21.9804 -114.694 26.6358 -260.493 -26.1974 -248.222 -92.5634 183.492 PRESSAVG: 3286400 69.2704 -35.1792 -57.2615 -35.1791 -32.4602 19.2048 -57.2615 19.2049 -1.59088 GPRESSAVG: 3286400 68.8344 -33.6982 -57.605 -35.3643 -31.0665 19.8298 -56.0331 16.4344 -2.75905 TIMING: 3286400 CPU: 10453.2, 0.00315474/step Wall: 10453.2, 0.00315474/step, 1.50166 hours remaining, 241.890625 MB of memory in use. ENERGY: 3286400 3987.2723 20487.5242 14565.6341 241.3600 -202860.2259 2155.8678 0.0000 0.0000 51991.6592 -109430.9081 298.7968 -161422.5674 -109063.6695 298.7071 -89.0584 -52.9438 760597.7714 11.7397 11.6696 PRESSURE: 3286600 301.053 99.7124 -93.6923 99.7124 70.3559 -116.317 -93.6936 -116.317 28.7197 GPRESSURE: 3286600 332.303 167.918 -53.389 105.778 78.6563 -43.7938 -141.32 4.85961 72.935 PRESSAVG: 3286600 -37.5335 -6.83 -5.58968 -6.83001 -57.1772 46.2067 -5.5898 46.2067 4.04366 GPRESSAVG: 3286600 -38.1446 -7.68698 -6.45863 -7.87921 -57.4825 45.7222 -5.82424 51.37 5.88756 TIMING: 3286600 CPU: 10453.8, 0.0031407/step Wall: 10453.8, 0.0031407/step, 1.4948 hours remaining, 241.890625 MB of memory in use. ENERGY: 3286600 3975.2095 20515.4928 14544.6369 253.0260 -203296.3585 2585.7645 0.0000 0.0000 52073.8409 -109348.3879 299.2691 -161422.2288 -108987.8152 299.0129 133.3763 161.2981 761040.7847 -30.2224 -29.9132 PRESSURE: 3286800 101.637 -219.795 46.146 -219.795 131.798 -0.270631 46.1449 -0.272101 -57.5812 GPRESSURE: 3286800 210.934 -101.504 32.7461 -101.153 112.138 -20.9631 16.4873 119.063 -42.2916 PRESSAVG: 3286800 -8.8543 -64.289 -4.73416 -64.2889 33.9785 -7.11971 -4.7342 -7.11975 -5.12698 GPRESSAVG: 3286800 -7.45096 -63.2078 -3.24615 -63.0876 33.4066 -7.18363 -5.49801 -9.3518 -5.90153 TIMING: 3286800 CPU: 10454.4, 0.00312441/step Wall: 10454.4, 0.00312441/step, 1.48687 hours remaining, 241.890625 MB of memory in use. ENERGY: 3286800 3982.1058 20528.6548 14490.5133 254.6004 -203332.4996 2593.3644 0.0000 0.0000 52057.7946 -109425.4662 299.1769 -161483.2608 -109062.6000 299.2303 58.6179 93.5934 760701.1636 6.6657 6.6847 PRESSURE: 3287000 159.834 -102.675 -86.2759 -102.676 133.716 249.554 -86.2756 249.555 415.04 GPRESSURE: 3287000 197.93 -140.654 -170.781 -51.5973 229.18 264.333 -133.618 257.154 372.632 PRESSAVG: 3287000 -3.87556 -40.4307 -13.2044 -40.4308 -8.20105 -2.58581 -13.2043 -2.58592 18.8531 GPRESSAVG: 3287000 -3.49864 -40.9631 -14.3461 -40.6479 -8.76706 -2.26282 -12.2123 -2.71374 19.4206 TIMING: 3287000 CPU: 10455.1, 0.00313991/step Wall: 10455.1, 0.00313991/step, 1.49407 hours remaining, 241.890625 MB of memory in use. ENERGY: 3287000 4017.9817 20404.6527 14481.1754 263.5000 -203476.5471 2760.8271 0.0000 0.0000 51931.4224 -109616.9876 298.4506 -161548.4100 -109249.7374 299.2842 236.1968 266.5807 760702.1904 2.2588 2.3850 PRESSURE: 3287200 -17.9935 -43.4687 101.167 -43.4687 -161.058 41.9283 101.166 41.9271 -126.526 GPRESSURE: 3287200 -34.7887 -63.929 109.427 -36.3016 -119.06 48.9096 137.71 -151.828 -61.7162 PRESSAVG: 3287200 42.8863 -18.3791 -0.434403 -18.3791 -35.8036 -40.2331 -0.434411 -40.2331 -11.4487 GPRESSAVG: 3287200 42.9501 -17.5391 1.11777 -18.6189 -35.3275 -38.7611 -2.63661 -40.4542 -11.9009 TIMING: 3287200 CPU: 10455.7, 0.00312914/step Wall: 10455.7, 0.00312914/step, 1.48878 hours remaining, 241.890625 MB of memory in use. ENERGY: 3287200 4035.8301 20451.1387 14432.8662 252.7398 -203364.2784 2688.2027 0.0000 0.0000 51994.9412 -109508.5595 298.8156 -161503.5007 -109145.0756 299.0728 -101.8591 -71.8548 761289.4798 -1.4553 -1.4261 PRESSURE: 3287400 -42.0024 72.1794 -44.293 72.1782 -203.77 -224.565 -44.293 -224.565 -101.216 GPRESSURE: 3287400 -197.045 84.6237 -25.3474 -27.8022 -55.1522 -191.817 -67.0671 -181.211 -34.4907 PRESSAVG: 3287400 36.7707 -45.6249 -51.6625 -45.625 -61.3985 -1.8596 -51.6625 -1.85948 -25.9338 GPRESSAVG: 3287400 35.8662 -47.2172 -53.2843 -46.0187 -60.5134 -4.98303 -49.4556 -1.77337 -25.817 TIMING: 3287400 CPU: 10456.3, 0.00312134/step Wall: 10456.3, 0.00312134/step, 1.48489 hours remaining, 242.148438 MB of memory in use. ENERGY: 3287400 3932.5132 20668.5761 14473.4547 249.8069 -203525.7516 2570.6960 0.0000 0.0000 52082.2069 -109548.4979 299.3172 -161630.7048 -109189.1673 298.9925 -115.6628 -95.5626 762222.4105 -16.8539 -16.8214 PRESSURE: 3287600 -29.0638 -156.93 27.3221 -156.93 -14.3508 149.349 27.3217 149.349 38.4697 GPRESSURE: 3287600 60.0349 -134.597 29.5255 -81.8097 -39.8957 267.649 -40.2259 52.9244 67.9922 PRESSAVG: 3287600 -28.7191 -47.5159 -69.1851 -47.516 20.845 -44.6534 -69.185 -44.6534 -9.82434 GPRESSAVG: 3287600 -27.7367 -43.4299 -67.4874 -47.1743 20.5442 -43.1629 -71.0935 -44.071 -9.87145 TIMING: 3287600 CPU: 10456.9, 0.00312331/step Wall: 10456.9, 0.00312331/step, 1.48566 hours remaining, 242.148438 MB of memory in use. ENERGY: 3287600 3932.2807 20510.8364 14576.6656 264.2028 -203073.8500 2453.7629 0.0000 0.0000 51572.0505 -109764.0510 296.3853 -161336.1015 -109402.1266 298.8271 -1.6483 29.3771 761690.7871 -5.8995 -5.6880 PRESSURE: 3287800 315.496 -22.8814 167.881 -22.8815 274.888 -145.88 167.88 -145.881 290.831 GPRESSURE: 3287800 423.3 -83.3609 131.831 7.41008 209.868 -58.944 136.481 -303.419 327.199 PRESSAVG: 3287800 25.3796 -46.712 -13.09 -46.712 -25.0026 -66.7619 -13.09 -66.7619 7.4966 GPRESSAVG: 3287800 25.9013 -47.4644 -14.3943 -47.4711 -25.6277 -66.0094 -12.0875 -66.7153 7.7891 TIMING: 3287800 CPU: 10457.6, 0.00312971/step Wall: 10457.6, 0.00312971/step, 1.48853 hours remaining, 242.148438 MB of memory in use. ENERGY: 3287800 3914.8053 20367.5463 14515.4559 246.2013 -203416.4828 2702.7902 0.0000 0.0000 51790.4275 -109879.2562 297.6403 -161669.6838 -109518.2185 297.6408 293.7383 320.1223 761154.3815 2.6245 2.6876 PRESSURE: 3288000 -254.822 -110.292 -111.961 -110.291 -222.083 -107.023 -111.961 -107.023 -161.969 GPRESSURE: 3288000 -215.939 -211.682 -93.0069 -35.8132 -165.004 -154.049 -72.9423 47.9113 -176.874 PRESSAVG: 3288000 -7.09973 -20.1247 -45.455 -20.1247 1.28701 -34.1943 -45.455 -34.1943 17.7834 GPRESSAVG: 3288000 -7.97091 -21.1721 -44.7299 -18.2786 2.35429 -35.1724 -46.0332 -35.2943 17.6848 TIMING: 3288000 CPU: 10458.2, 0.00313579/step Wall: 10458.2, 0.00313579/step, 1.49124 hours remaining, 242.148438 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: 3288000 3959.7286 20453.9616 14542.0102 235.6575 -203405.2295 2478.9487 0.0000 0.0000 52022.3793 -109712.5435 298.9733 -161734.9229 -109345.9781 298.2039 -212.9583 -185.9390 762951.6914 3.9902 4.0227 PRESSURE: 3288200 -8.78212 152.968 -34.1865 152.968 -137.475 -214.48 -34.1861 -214.479 194.607 GPRESSURE: 3288200 -13.7861 127.854 -117.535 115.822 -99.3849 -251.669 -9.55037 -113.805 244.817 PRESSAVG: 3288200 -45.9821 -19.2372 -54.4075 -19.2373 34.6088 -38.4163 -54.4076 -38.4162 -20.4101 GPRESSAVG: 3288200 -44.9184 -18.822 -54.09 -20.4147 32.8757 -37.3766 -54.0055 -37.6722 -20.2167 TIMING: 3288200 CPU: 10458.8, 0.00314451/step Wall: 10458.8, 0.00314451/step, 1.49521 hours remaining, 242.148438 MB of memory in use. ENERGY: 3288200 3961.4785 20432.3163 14580.2846 243.4248 -203126.2211 2439.5271 0.0000 0.0000 51897.1068 -109572.0831 298.2534 -161469.1899 -109220.9359 298.4576 16.1167 43.8819 762002.1098 -10.5944 -10.7531 LDB: ============= START OF LOAD BALANCING ============== 10471.3 LDB: ============== END OF LOAD BALANCING =============== 10471.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10471.3 LDB: ============= START OF LOAD BALANCING ============== 10471.6 LDB: Largest compute 7037 load 0.034937 is 17.9% of average load 0.195351 LDB: Average compute 0.004390 is 2.2% of average load 0.195351 LDB: TIME 10471.6 LOAD: AVG 0.195351 MAX 0.216975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 10471.6 LOAD: AVG 0.195351 MAX 0.216975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: TIME 10471.6 LOAD: AVG 0.195351 MAX 0.216975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: ============== END OF LOAD BALANCING =============== 10471.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10471.6 PRESSURE: 3288400 -31.0864 -69.8428 -6.15148 -69.8432 42.8709 -13.1872 -6.1519 -13.1881 -35.1085 GPRESSURE: 3288400 3.49144 -39.5122 -36.5637 -156.667 54.5144 71.0087 -81.387 -98.8094 21.6414 PRESSAVG: 3288400 6.75454 -27.7509 -32.9458 -27.7508 -0.915854 -22.4297 -32.9458 -22.4296 4.5755 GPRESSAVG: 3288400 5.86304 -25.7809 -33.9351 -27.6493 -0.895654 -23.3267 -34.233 -20.5705 5.18681 TIMING: 3288400 CPU: 10459.4, 0.0031985/step Wall: 10459.4, 0.0031985/step, 1.52071 hours remaining, 239.527344 MB of memory in use. ENERGY: 3288400 3977.5371 20635.2756 14480.7203 252.7086 -203100.9799 2615.7254 0.0000 0.0000 51778.3577 -109360.6552 297.5709 -161139.0129 -109008.8970 298.6318 -7.7746 26.5491 761371.2661 3.4714 3.3847 PRESSURE: 3288600 -113.508 181.382 94.5895 181.381 -321.773 -75.9205 94.5898 -75.9194 -18.4609 GPRESSURE: 3288600 -137.856 208.575 38.6735 131.752 -222.557 -11.2008 93.8569 -136.819 -12.5065 PRESSAVG: 3288600 25.948 -54.8994 -22.6691 -54.8994 -54.1023 14.3925 -22.669 14.3926 10.8015 GPRESSAVG: 3288600 25.8167 -57.3429 -22.4288 -54.3814 -53.1241 13.3275 -19.9762 12.6993 9.50938 TIMING: 3288600 CPU: 10460.1, 0.0031465/step Wall: 10460.1, 0.0031465/step, 1.49581 hours remaining, 239.527344 MB of memory in use. ENERGY: 3288600 4007.7387 20385.1041 14524.5792 239.4577 -203136.0474 2344.7085 0.0000 0.0000 52115.7288 -109518.7303 299.5098 -161634.4591 -109156.7989 299.1228 -151.2471 -124.3066 761731.0622 -5.7843 -5.9327 PRESSURE: 3288800 110.065 -13.3076 297.651 -13.3074 -336.099 188.997 297.651 188.997 -228.637 GPRESSURE: 3288800 41.6002 33.4776 250.463 5.33924 -225.136 336.519 191.261 44.8223 -185.31 PRESSAVG: 3288800 -1.12522 -48.0783 -7.12907 -48.0783 -7.34828 -53.5025 -7.12906 -53.5024 2.5805 GPRESSAVG: 3288800 -1.41053 -45.7661 -7.54913 -46.6054 -8.84345 -51.5514 -9.09223 -54.3053 3.97475 TIMING: 3288800 CPU: 10460.7, 0.00314358/step Wall: 10460.7, 0.00314358/step, 1.49425 hours remaining, 239.527344 MB of memory in use. ENERGY: 3288800 3995.2083 20344.4483 14475.0401 236.2411 -203640.4749 2753.1730 0.0000 0.0000 52072.0442 -109764.3199 299.2588 -161836.3641 -109406.1928 299.1134 -151.5572 -122.9486 760936.5826 -1.9643 -2.0931 PRESSURE: 3289000 -225.163 -247.138 42.9542 -247.139 6.81238 -360.118 42.9543 -360.118 219.623 GPRESSURE: 3289000 -172.584 -279.784 67.6664 -251.687 19.5453 -356.761 -62.8645 -401.986 234.083 PRESSAVG: 3289000 -4.47252 -87.9686 24.1184 -87.9687 -38.0446 -32.5443 24.1184 -32.5444 0.665908 GPRESSAVG: 3289000 -4.67227 -89.0271 24.0681 -88.2669 -36.513 -33.8655 23.6177 -33.0875 -0.849277 TIMING: 3289000 CPU: 10461.3, 0.00315973/step Wall: 10461.3, 0.00315973/step, 1.50175 hours remaining, 239.527344 MB of memory in use. ENERGY: 3289000 4045.8836 20402.2873 14455.9041 239.5816 -202816.3089 2126.1814 0.0000 0.0000 51730.7958 -109815.6750 297.2976 -161546.4708 -109461.8830 298.3599 0.4241 27.0149 760285.2474 -13.9504 -14.0115 PRESSURE: 3289200 -136.964 -144.035 136.582 -144.035 -380.107 69.7877 136.582 69.7876 -287.028 GPRESSURE: 3289200 -101.018 -80.6696 180.783 -92.5492 -329.411 109.84 140.819 94.7241 -289.283 PRESSAVG: 3289200 -3.01654 -41.3213 7.30847 -41.3213 4.09095 -42.1826 7.30851 -42.1825 10.9156 GPRESSAVG: 3289200 -1.83251 -41.878 7.24302 -40.6321 2.90475 -42.7421 8.85592 -40.0407 11.0376 TIMING: 3289200 CPU: 10462, 0.00315428/step Wall: 10462, 0.00315428/step, 1.49898 hours remaining, 239.527344 MB of memory in use. ENERGY: 3289200 4024.3999 20356.0880 14469.9155 233.5066 -202878.5405 2285.1723 0.0000 0.0000 51993.2851 -109516.1732 298.8061 -161509.4582 -109147.0131 298.5983 -268.0327 -239.9043 761658.8677 3.9967 4.0366 PRESSURE: 3289400 151.31 270.986 -192.646 270.986 -404.463 -31.4542 -192.647 -31.4543 -67.8087 GPRESSURE: 3289400 92.4256 211.427 -163.086 225.909 -337.79 -23.5985 -302.813 -98.9769 9.05778 PRESSAVG: 3289400 26.2802 -51.3789 1.44373 -51.3789 -31.547 -11.2239 1.44369 -11.2239 -18.6576 GPRESSAVG: 3289400 24.2193 -49.5019 2.21895 -52.9929 -30.2485 -9.74266 1.69903 -13.196 -17.8965 TIMING: 3289400 CPU: 10462.6, 0.00316808/step Wall: 10462.6, 0.00316808/step, 1.50537 hours remaining, 239.527344 MB of memory in use. ENERGY: 3289400 3995.2520 20467.6577 14508.1208 232.5450 -203144.6166 2433.9218 0.0000 0.0000 51960.9989 -109546.1205 298.6206 -161507.1194 -109190.9814 298.3929 -106.9871 -78.7687 760421.7260 -7.9748 -7.9752 PRESSURE: 3289600 -260.014 -369.588 -58.4556 -369.589 211.254 -106.41 -58.4558 -106.41 12.6892 GPRESSURE: 3289600 -216.248 -246.464 -65.774 -294.437 254.917 -102.852 5.05063 -99.4964 8.41345 PRESSAVG: 3289600 13.8838 -14.3948 -74.0172 -14.3948 17.1409 31.3945 -74.0172 31.3945 -25.3357 GPRESSAVG: 3289600 15.1381 -14.1437 -74.6987 -15.0493 16.4666 32.5048 -74.5109 32.514 -25.9921 TIMING: 3289600 CPU: 10463.2, 0.00313361/step Wall: 10463.2, 0.00313361/step, 1.48881 hours remaining, 239.527344 MB of memory in use. ENERGY: 3289600 4050.7038 20477.5919 14486.6923 233.2386 -203602.5634 2801.8221 0.0000 0.0000 52113.8626 -109438.6521 299.4991 -161552.5147 -109076.6455 298.9282 -12.0233 15.6942 758349.4115 1.8964 1.8709 PRESSURE: 3289800 173.926 -9.43094 9.78453 -9.43157 72.2356 26.5256 9.78482 26.5263 26.5396 GPRESSURE: 3289800 313.208 -75.1026 13.1871 -46.2091 45.0848 -46.2805 -85.2867 5.46906 -17.7012 PRESSAVG: 3289800 24.744 -71.1784 -69.3709 -71.1784 -35.7413 35.91 -69.3709 35.91 6.8401 GPRESSAVG: 3289800 25.8997 -73.4761 -68.9717 -72.8151 -36.2588 34.7635 -69.9024 34.8083 5.70546 TIMING: 3289800 CPU: 10463.9, 0.00312553/step Wall: 10463.9, 0.00312553/step, 1.4848 hours remaining, 239.527344 MB of memory in use. ENERGY: 3289800 3948.0283 20665.1453 14530.8473 253.7333 -203661.9030 2711.6018 0.0000 0.0000 52298.9138 -109253.6331 300.5626 -161552.5469 -108887.2354 299.9333 90.9003 113.5305 760139.5142 -1.3857 -1.5512 PRESSURE: 3290000 -359.782 -93.6563 225.478 -93.6561 -102.742 240.053 225.479 240.053 -144.202 GPRESSURE: 3290000 -412.114 -47.9109 285.411 -121.7 -4.90867 219.628 283.329 214.293 -113.33 PRESSAVG: 3290000 -11.6395 -7.89829 6.20799 -7.89831 32.5038 56.1691 6.20804 56.1693 4.15879 GPRESSAVG: 3290000 -12.3858 -7.67297 7.27312 -4.082 32.0334 55.8627 5.86475 58.1103 4.97896 TIMING: 3290000 CPU: 10464.5, 0.00314024/step Wall: 10464.5, 0.00314024/step, 1.49161 hours remaining, 239.527344 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: 3290000 3973.2812 20515.8846 14496.5521 241.8848 -203692.6782 2905.4759 0.0000 0.0000 52091.2296 -109468.3700 299.3690 -161559.5996 -109105.6626 299.5852 -202.2421 -176.7843 763118.1239 8.3410 8.2089 PRESSURE: 3290200 -37.1729 -131.47 18.7268 -131.47 236.802 -48.4639 18.7268 -48.4636 174.255 GPRESSURE: 3290200 -24.1767 -107.369 112.13 -79.28 332.082 -86.4688 1.01295 -35.8884 166.132 PRESSAVG: 3290200 -17.502 -35.1891 -16.7063 -35.1891 6.31851 63.2754 -16.7063 63.2754 -0.486557 GPRESSAVG: 3290200 -18.5275 -34.8279 -16.8629 -36.3623 7.07808 64.2093 -15.7737 61.2566 0.119819 TIMING: 3290200 CPU: 10465.1, 0.00315245/step Wall: 10465.1, 0.00315245/step, 1.49724 hours remaining, 239.527344 MB of memory in use. ENERGY: 3290200 3941.1072 20378.0501 14453.3803 238.5968 -203281.8554 2739.1680 0.0000 0.0000 52198.1353 -109333.4178 299.9834 -161531.5531 -108971.8618 299.2415 124.6280 158.0125 759899.8593 -3.8900 -3.7765 PRESSURE: 3290400 -410.991 -134.022 11.939 -134.021 -280.792 142.595 11.9385 142.595 -59.3527 GPRESSURE: 3290400 -331.931 -207.204 90.3457 -45.2464 -284.95 106.845 2.79554 171.86 -42.1565 PRESSAVG: 3290400 27.308 -56.1561 16.0602 -56.156 -54.1759 -17.102 16.0603 -17.1019 8.08012 GPRESSAVG: 3290400 27.5067 -54.3763 16.3094 -56.2814 -54.5195 -16.8783 15.2428 -18.1303 7.9162 TIMING: 3290400 CPU: 10465.7, 0.00313692/step Wall: 10465.7, 0.00313692/step, 1.48969 hours remaining, 239.527344 MB of memory in use. ENERGY: 3290400 4008.9943 20438.0970 14478.0108 230.0620 -202891.1584 2303.9309 0.0000 0.0000 52025.5362 -109406.5272 298.9915 -161432.0634 -109043.7649 298.8351 -250.3786 -219.6792 761630.1394 -6.2626 -6.3655 PRESSURE: 3290600 229.062 -71.4515 -55.9648 -71.4512 -17.9525 -208.457 -55.9639 -208.457 78.6797 GPRESSURE: 3290600 209.248 -24.0845 -88.25 -6.67079 -10.2385 -127.061 -57.3904 -75.7931 148.231 PRESSAVG: 3290600 29.6761 -13.9738 -6.48225 -13.9738 -12.5502 2.5941 -6.48219 2.59414 -6.95102 GPRESSAVG: 3290600 28.776 -14.1574 -6.75415 -14.041 -12.4288 3.01089 -7.55435 5.57137 -6.04114 TIMING: 3290600 CPU: 10466.4, 0.00315538/step Wall: 10466.4, 0.00315538/step, 1.49828 hours remaining, 239.527344 MB of memory in use. ENERGY: 3290600 3971.4431 20571.0284 14544.8616 239.5067 -203026.9303 2402.8910 0.0000 0.0000 52221.7915 -109075.4079 300.1194 -161297.1994 -108712.3065 299.3129 96.5963 115.7468 760173.7611 3.3916 3.4353 PRESSURE: 3290800 -169.36 42.0489 187.791 42.0487 233.325 -38.2409 187.79 -38.2421 399.732 GPRESSURE: 3290800 -167.85 -58.2105 189.448 -37.3951 298.241 -65.4771 161.336 -11.1956 415.005 PRESSAVG: 3290800 1.7401 3.47445 -45.8262 3.47445 15.6117 2.78147 -45.8261 2.78137 -6.34844 GPRESSAVG: 3290800 2.96084 -0.126855 -45.5641 4.3911 15.2126 1.63829 -46.003 4.01313 -7.16674 TIMING: 3290800 CPU: 10467, 0.00314957/step Wall: 10467, 0.00314957/step, 1.49535 hours remaining, 239.527344 MB of memory in use. ENERGY: 3290800 3930.6021 20674.8974 14513.3077 244.7681 -203334.0008 2696.4331 0.0000 0.0000 52015.3363 -109258.6561 298.9329 -161273.9924 -108897.7657 299.7916 154.5657 181.7986 761455.8733 3.6678 3.6689 PRESSURE: 3291000 188.792 -147.414 45.925 -147.413 198.516 91.247 45.9254 91.2473 798.502 GPRESSURE: 3291000 310.424 -140.745 7.07922 -63.4578 208.621 11.8711 19.4556 30.7824 775.838 PRESSAVG: 3291000 -21.1434 -5.07217 -7.00923 -5.07217 -0.768836 -9.25598 -7.00925 -9.25591 27.2059 GPRESSAVG: 3291000 -21.5209 -4.54878 -8.68055 -4.3297 -0.637558 -10.8562 -3.38686 -12.12 27.2217 TIMING: 3291000 CPU: 10467.6, 0.00316188/step Wall: 10467.6, 0.00316188/step, 1.50101 hours remaining, 239.527344 MB of memory in use. ENERGY: 3291000 3926.4619 20457.3297 14551.0024 255.0447 -203092.0821 2655.3030 0.0000 0.0000 52100.5463 -109146.3941 299.4226 -161246.9404 -108785.6769 299.2683 395.2703 431.6276 760571.1260 1.7645 1.6877 PRESSURE: 3291200 -114.21 -62.2847 -21.6604 -62.2841 -42.4818 79.0961 -21.6596 79.0945 -160.748 GPRESSURE: 3291200 -138.521 -120.427 -37.7907 40.6842 90.0298 21.3666 12.124 47.4997 -181.693 PRESSAVG: 3291200 -19.6111 18.7474 34.2195 18.7474 43.6349 -24.062 34.2195 -24.0619 21.3045 GPRESSAVG: 3291200 -20.6197 18.9488 34.3489 18.5098 43.7718 -23.6415 32.3471 -20.9561 21.8055 TIMING: 3291200 CPU: 10468.3, 0.00315295/step Wall: 10468.3, 0.00315295/step, 1.4966 hours remaining, 239.527344 MB of memory in use. ENERGY: 3291200 3988.2585 20479.7437 14555.2511 235.7057 -203156.3693 2723.2005 0.0000 0.0000 51998.0841 -109176.1256 298.8337 -161174.2097 -108820.1160 299.4308 -105.8132 -76.7280 762798.4489 15.1095 14.9859 PRESSURE: 3291400 33.3452 -255.046 60.0036 -255.045 -44.0195 111.819 60.0034 111.819 252.399 GPRESSURE: 3291400 65.9665 -252.931 12.9568 -156.912 -62.9467 121.478 69.9215 -5.39304 309.197 PRESSAVG: 3291400 -30.9027 33.8577 40.82 33.8577 43.7015 2.30562 40.82 2.30562 1.40056 GPRESSAVG: 3291400 -30.6589 37.1899 40.7737 34.9281 43.889 3.66583 40.3194 0.877199 0.276767 TIMING: 3291400 CPU: 10468.9, 0.00315713/step Wall: 10468.9, 0.00315713/step, 1.49841 hours remaining, 239.527344 MB of memory in use. ENERGY: 3291400 3996.8281 20408.5363 14552.9655 235.0136 -203154.8727 2701.4272 0.0000 0.0000 52270.8523 -108989.2498 300.4013 -161260.1022 -108629.7248 299.4520 80.5749 104.0721 762674.0015 4.7331 4.5023 PRESSURE: 3291600 -20.6041 62.7128 76.248 62.7125 -148.418 -39.4769 76.2478 -39.4764 110.048 GPRESSURE: 3291600 35.0541 75.0445 52.67 3.1854 -175.679 -88.5676 5.40691 -4.99955 177.05 PRESSAVG: 3291600 9.10662 6.15424 -14.9721 6.15414 8.77858 -9.92606 -14.9721 -9.92604 5.22815 GPRESSAVG: 3291600 9.16032 1.73845 -14.4863 5.73954 7.96187 -10.4268 -16.2155 -11.6529 5.92149 TIMING: 3291600 CPU: 10469.5, 0.00316219/step Wall: 10469.5, 0.00316219/step, 1.50063 hours remaining, 239.527344 MB of memory in use. ENERGY: 3291600 3920.9757 20328.7250 14531.3598 273.1186 -202812.2923 2663.5290 0.0000 0.0000 51942.0863 -109152.4980 298.5119 -161094.5843 -108793.4383 299.4064 -19.6580 12.1417 763018.7568 7.7045 7.6812 PRESSURE: 3291800 -138.084 147.082 -2.52897 147.081 -220.414 -55.4343 -2.52945 -55.4349 -3.98173 GPRESSURE: 3291800 -161.842 145.645 33.96 205.276 -169.035 3.23478 -21.4338 -93.5724 38.3814 PRESSAVG: 3291800 -15.7757 -32.8966 -24.1425 -32.8966 23.2774 -2.55743 -24.1425 -2.55745 9.06642 GPRESSAVG: 3291800 -16.0168 -29.6627 -24.8869 -32.7267 23.1598 -1.17005 -24.0078 -1.67576 9.79491 TIMING: 3291800 CPU: 10470.2, 0.00316382/step Wall: 10470.2, 0.00316382/step, 1.50123 hours remaining, 239.527344 MB of memory in use. ENERGY: 3291800 3961.1355 20417.3042 14510.1181 240.4198 -202974.2564 2408.8097 0.0000 0.0000 52150.8289 -109285.6403 299.7115 -161436.4691 -108928.1021 299.4750 -120.8265 -97.4985 761700.5518 5.5227 5.6460 PRESSURE: 3292000 -122.035 12.7158 90.6853 12.7159 10.2648 119.861 90.6856 119.861 -292.503 GPRESSURE: 3292000 -70.225 -16.2882 100.626 -83.0666 42.4755 46.9405 25.6099 53.7844 -270.937 PRESSAVG: 3292000 -68.8176 -25.3435 1.69337 -25.3435 24.1471 -34.1201 1.69334 -34.1201 1.17496 GPRESSAVG: 3292000 -69.3676 -24.4794 2.70467 -27.1792 25.7944 -36.0904 2.54795 -34.9541 0.321623 TIMING: 3292000 CPU: 10470.8, 0.00317126/step Wall: 10470.8, 0.00317126/step, 1.50459 hours remaining, 239.527344 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: 3292000 4042.2121 20562.0799 14528.4191 245.8146 -203104.1579 2614.6922 0.0000 0.0000 51976.5613 -109134.3787 298.7100 -161110.9399 -108779.9671 299.0708 -134.7578 -99.5620 761846.6184 -14.4985 -14.4172 PRESSURE: 3292200 100.872 -277.381 18.8424 -277.381 -38.2193 106.275 18.8424 106.275 108.895 GPRESSURE: 3292200 233.236 -83.8285 102.366 -356.287 -73.2217 123.167 30.2422 174.744 96.1078 PRESSAVG: 3292200 31.5437 -43.2389 55.548 -43.2389 -29.6294 -17.1384 55.548 -17.1383 5.95604 GPRESSAVG: 3292200 32.9001 -44.0979 55.6306 -44.0421 -31.6292 -15.7703 56.3648 -15.6057 6.8404 TIMING: 3292200 CPU: 10471.4, 0.0031615/step Wall: 10471.4, 0.0031615/step, 1.49978 hours remaining, 239.527344 MB of memory in use. ENERGY: 3292200 3887.9579 20395.2600 14518.3421 249.5190 -203195.3516 2562.8295 0.0000 0.0000 52013.0351 -109568.4081 298.9196 -161581.4432 -109206.5956 298.8729 57.1825 85.3740 760350.1158 2.6235 2.7037 LDB: ============= START OF LOAD BALANCING ============== 10483.9 LDB: ============== END OF LOAD BALANCING =============== 10483.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10483.9 LDB: ============= START OF LOAD BALANCING ============== 10484.2 LDB: Largest compute 7070 load 0.034821 is 17.8% of average load 0.195292 LDB: Average compute 0.004407 is 2.3% of average load 0.195292 LDB: TIME 10484.2 LOAD: AVG 0.195292 MAX 0.21246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 10484.2 LOAD: AVG 0.195292 MAX 0.21246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: TIME 10484.2 LOAD: AVG 0.195292 MAX 0.21246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: ============== END OF LOAD BALANCING =============== 10484.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10484.2 PRESSURE: 3292400 -143.959 80.5027 149.485 80.5029 103.769 -62.677 149.484 -62.6774 23.454 GPRESSURE: 3292400 -128.972 97.1352 106.033 176.615 107.442 -24.146 175.702 -141.755 116.116 PRESSAVG: 3292400 -31.1746 -22.1441 -10.5102 -22.1442 -3.90339 57.7191 -10.5101 57.7192 -29.1909 GPRESSAVG: 3292400 -31.0481 -21.9039 -11.2319 -20.924 -4.00748 56.7319 -11.648 58.2152 -28.6766 TIMING: 3292400 CPU: 10472.1, 0.00324445/step Wall: 10472.1, 0.00324445/step, 1.53895 hours remaining, 240.406250 MB of memory in use. ENERGY: 3292400 3981.7250 20466.8124 14480.7562 243.6158 -203946.7466 3203.2235 0.0000 0.0000 51995.1368 -109575.4769 298.8168 -161570.6137 -109210.2387 298.3296 -5.5786 31.5285 761168.5425 -21.4230 -21.2441 PRESSURE: 3292600 -173.91 12.4305 -7.71829 12.4306 59.3228 -111.242 -7.71816 -111.242 -347.573 GPRESSURE: 3292600 -96.637 -35.6223 4.71274 -43.3242 41.0037 -47.0983 -44.9043 -155.722 -320.427 PRESSAVG: 3292600 -40.3395 -32.649 15.7881 -32.649 40.6569 -14.0396 15.7881 -14.0396 -19.8657 GPRESSAVG: 3292600 -42.306 -33.2142 15.7832 -31.0299 41.0392 -12.8219 15.1884 -16.8402 -18.3977 TIMING: 3292600 CPU: 10472.7, 0.0031751/step Wall: 10472.7, 0.0031751/step, 1.50588 hours remaining, 240.406250 MB of memory in use. ENERGY: 3292600 4025.1128 20511.9588 14465.0506 240.9115 -203387.9444 2632.3927 0.0000 0.0000 52062.2221 -109450.2960 299.2023 -161512.5181 -109083.0080 298.4937 -154.0536 -125.3536 762531.4970 -6.5161 -6.5548 PRESSURE: 3292800 -146.715 -109.263 21.6368 -109.262 -353.029 -175.374 21.6369 -175.375 -162.461 GPRESSURE: 3292800 -64.7894 -147.196 -36.3138 -46.8176 -329.022 -169.451 99.5448 -70.4726 -185.708 PRESSAVG: 3292800 -83.2344 -15.6694 -42.4899 -15.6694 62.3302 36.7511 -42.4898 36.7512 -29.3787 GPRESSAVG: 3292800 -82.064 -16.4713 -42.7373 -15.4533 64.0436 35.4413 -39.7762 37.0184 -32.3884 TIMING: 3292800 CPU: 10473.3, 0.00315608/step Wall: 10473.3, 0.00315608/step, 1.49668 hours remaining, 240.406250 MB of memory in use. ENERGY: 3292800 3962.1881 20470.6820 14544.5271 264.7746 -203057.5193 2244.7175 0.0000 0.0000 51798.6489 -109771.9811 297.6875 -161570.6300 -109408.3802 298.5268 -220.7350 -193.1733 761940.6582 -16.7610 -16.8029 PRESSURE: 3293000 -38.6389 -86.1401 -246.69 -86.1401 283.958 -147.212 -246.691 -147.213 -319.785 GPRESSURE: 3293000 17.9162 23.1792 -248.357 -50.4721 281.061 -117.301 -118.661 -14.2256 -284.909 PRESSAVG: 3293000 34.3102 -36.253 -8.83525 -36.253 2.34091 13.6511 -8.83525 13.6511 1.196 GPRESSAVG: 3293000 33.2102 -37.7237 -8.64973 -37.3168 1.6627 15.2562 -10.6921 14.3674 2.87787 TIMING: 3293000 CPU: 10474, 0.00314694/step Wall: 10474, 0.00314694/step, 1.49217 hours remaining, 240.406250 MB of memory in use. ENERGY: 3293000 3944.0423 20521.9443 14406.0863 240.9093 -203048.8265 2448.9620 0.0000 0.0000 51711.6892 -109775.1931 297.1878 -161486.8823 -109420.7937 298.0855 -24.8220 4.6894 762263.0409 12.6157 12.5836 PRESSURE: 3293200 -220.985 160.555 -89.5215 160.555 -262.776 72.5069 -89.5215 72.5078 178.11 GPRESSURE: 3293200 -174.736 74.2147 -89.4615 94.4419 -157.882 105.35 51.5999 163.586 126.985 PRESSAVG: 3293200 19.0916 -84.5181 -63.1006 -84.5181 -46.5597 43.9923 -63.1006 43.9922 -22.0152 GPRESSAVG: 3293200 17.8144 -83.6095 -62.6821 -85.544 -45.0774 41.5631 -60.6279 44.0846 -22.254 TIMING: 3293200 CPU: 10474.6, 0.00313171/step Wall: 10474.6, 0.00313171/step, 1.48478 hours remaining, 240.406250 MB of memory in use. ENERGY: 3293200 3926.1687 20547.6100 14471.1946 238.5155 -203441.8679 2804.0616 0.0000 0.0000 51874.6934 -109579.6242 298.1246 -161454.3176 -109220.7008 298.3705 -101.8836 -68.5444 762922.2017 -16.4944 -16.5057 PRESSURE: 3293400 -77.237 -26.26 -79.7139 -26.2591 111.723 -13.0966 -79.7133 -13.0977 65.3325 GPRESSURE: 3293400 -3.8337 -14.4655 -60.9645 23.5746 117.383 26.7525 -108.062 -82.8977 69.5135 PRESSAVG: 3293400 -14.6636 -60.2079 -22.5083 -60.2079 -6.05771 20.1349 -22.5084 20.1349 -1.65653 GPRESSAVG: 3293400 -13.2468 -59.9363 -22.3285 -59.9943 -6.78785 21.5511 -24.3033 20.4232 -2.47788 TIMING: 3293400 CPU: 10475.2, 0.00313549/step Wall: 10475.2, 0.00313549/step, 1.4864 hours remaining, 240.406250 MB of memory in use. ENERGY: 3293400 4023.8787 20425.7949 14534.2864 246.8008 -203632.5585 2926.8637 0.0000 0.0000 51910.0520 -109564.8820 298.3278 -161474.9340 -109213.3411 298.8060 33.2727 61.0210 763037.2325 -7.4593 -7.5042 PRESSURE: 3293600 -49.9067 -30.9128 -194.599 -30.9133 -101.599 122.308 -194.599 122.308 -34.6772 GPRESSURE: 3293600 -67.0694 41.0592 -179.926 -29.4017 -76.0274 136.232 -225.097 162.979 45.6792 PRESSAVG: 3293600 -16.8038 -91.2262 6.7772 -91.2263 25.1742 -4.93881 6.77719 -4.93883 -7.76194 GPRESSAVG: 3293600 -16.9689 -92.5049 7.08207 -91.6064 24.0867 -4.57334 6.39079 -6.13237 -6.21866 TIMING: 3293600 CPU: 10475.8, 0.00312534/step Wall: 10475.8, 0.00312534/step, 1.48141 hours remaining, 240.406250 MB of memory in use. ENERGY: 3293600 3916.6031 20397.2018 14484.3871 252.2406 -203449.6076 2526.9381 0.0000 0.0000 52236.5348 -109635.7021 300.2041 -161872.2369 -109271.0659 298.9724 -62.0610 -32.4725 762482.2414 0.2028 0.2997 PRESSURE: 3293800 -166.874 161.633 82.566 161.633 188.115 -142.305 82.5649 -142.305 -366.805 GPRESSURE: 3293800 -12.7894 221.488 120.965 122.68 109.079 -125.447 7.80174 -145.64 -357.058 PRESSAVG: 3293800 -18.1497 -37.4956 -22.8844 -37.4957 -25.9569 5.0542 -22.8844 5.05415 -23.4557 GPRESSAVG: 3293800 -18.1396 -37.3399 -23.0064 -36.817 -26.1102 6.00508 -23.1085 3.25037 -22.947 TIMING: 3293800 CPU: 10476.5, 0.00314448/step Wall: 10476.5, 0.00314447/step, 1.49031 hours remaining, 240.406250 MB of memory in use. ENERGY: 3293800 3883.8067 20487.4017 14503.2311 255.7131 -203180.0908 2620.2918 0.0000 0.0000 51818.3082 -109611.3382 297.8005 -161429.6465 -109243.5766 298.7757 -115.1883 -86.9227 762945.6846 -22.5208 -22.3989 PRESSURE: 3294000 -24.5787 294.795 -74.9762 294.794 143.894 -15.5653 -74.9784 -15.5643 67.6403 GPRESSURE: 3294000 47.5932 163.141 -28.3222 103.183 165.391 -3.55054 -182.186 -18.6195 61.3655 PRESSAVG: 3294000 -30.0648 20.683 -36.9239 20.6829 -8.22347 -10.0039 -36.9239 -10.0039 -0.931035 GPRESSAVG: 3294000 -30.0542 20.9001 -37.1757 19.4387 -8.05219 -12.9747 -38.3839 -5.52227 -1.42597 TIMING: 3294000 CPU: 10477.1, 0.00312987/step Wall: 10477.1, 0.00312987/step, 1.48321 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3294000 3953.4892 20515.6405 14537.0923 254.5010 -203674.8970 2850.3535 0.0000 0.0000 52076.7384 -109487.0823 299.2857 -161563.8206 -109109.9750 298.8335 62.3185 91.4498 762508.9021 -13.0731 -13.1775 PRESSURE: 3294200 -572.023 -42.5825 -144.925 -42.5836 -84.7794 8.84729 -144.924 8.84768 -312.496 GPRESSURE: 3294200 -532.683 -76.9595 -238.217 -34.132 -103.34 96.9967 -144.456 -87.4304 -250.131 PRESSAVG: 3294200 -9.90529 -29.6853 31.7056 -29.6854 -4.3936 4.13165 31.7056 4.13164 37.9543 GPRESSAVG: 3294200 -8.65595 -28.3231 29.4699 -28.9976 -6.03674 6.07677 32.8883 1.37998 37.8292 TIMING: 3294200 CPU: 10477.7, 0.00312545/step Wall: 10477.7, 0.00312545/step, 1.48094 hours remaining, 240.406250 MB of memory in use. ENERGY: 3294200 4010.1488 20401.1623 14488.5493 251.5775 -202834.7639 2208.1730 0.0000 0.0000 51975.6189 -109499.5341 298.7046 -161475.1530 -109129.2787 298.8134 -323.0995 -295.3850 761947.8931 7.8851 7.7122 PRESSURE: 3294400 95.9319 -198.183 139.151 -198.183 -2.00936 105.432 139.151 105.431 -133.935 GPRESSURE: 3294400 102.258 -142.263 261.856 -193.421 70.8003 119.479 107.954 156.839 -138.507 PRESSAVG: 3294400 -37.885 -17.2519 -28.4881 -17.2519 -18.676 -54.7729 -28.488 -54.7728 18.4685 GPRESSAVG: 3294400 -39.0592 -18.2099 -25.2682 -15.4009 -17.7975 -56.9316 -26.956 -54.2448 18.5549 TIMING: 3294400 CPU: 10478.4, 0.0031393/step Wall: 10478.4, 0.0031393/step, 1.48733 hours remaining, 240.406250 MB of memory in use. ENERGY: 3294400 4027.9587 20753.6904 14423.2828 232.5425 -203389.8231 2685.7313 0.0000 0.0000 51981.1304 -109285.4872 298.7363 -161266.6176 -108926.0771 298.8767 -13.3374 11.5171 761846.1664 -12.6975 -12.7673 PRESSURE: 3294600 -42.7492 -74.9023 -81.8938 -74.902 40.0292 -14.4483 -81.8944 -14.448 89.0899 GPRESSURE: 3294600 -58.8482 -121.354 -70.3932 -64.3062 88.1209 -11.314 -214.733 78.8983 138.632 PRESSAVG: 3294600 -35.2205 -45.692 -27.0515 -45.692 30.8971 15.1617 -27.0516 15.1616 -29.1202 GPRESSAVG: 3294600 -35.0629 -44.5225 -27.3568 -47.4237 30.9495 18.0056 -30.8104 15.2182 -29.2999 TIMING: 3294600 CPU: 10479, 0.00316255/step Wall: 10479, 0.00316255/step, 1.49817 hours remaining, 240.406250 MB of memory in use. ENERGY: 3294600 4034.1366 20594.4223 14487.4505 248.0119 -203018.3285 2500.0144 0.0000 0.0000 51865.4954 -109288.7974 298.0717 -161154.2928 -108933.8169 299.2205 28.7900 55.9682 762024.2053 -11.1479 -11.1377 PRESSURE: 3294800 -70.2323 -34.469 -93.1577 -34.4679 -383.302 301.142 -93.1578 301.142 143.165 GPRESSURE: 3294800 -111.917 -33.2395 -144.289 -112.002 -309.073 222.481 -21.3709 206.668 194.471 PRESSAVG: 3294800 -1.15244 -61.596 -30.77 -61.596 17.0667 39.9079 -30.7699 39.9079 4.75025 GPRESSAVG: 3294800 -1.61465 -63.4328 -31.0057 -60.36 17.4928 38.229 -27.9729 40.1527 4.87778 TIMING: 3294800 CPU: 10479.6, 0.00316529/step Wall: 10479.6, 0.00316529/step, 1.49929 hours remaining, 240.406250 MB of memory in use. ENERGY: 3294800 4002.0621 20621.0417 14478.7829 250.6677 -203085.0828 2367.8974 0.0000 0.0000 52014.6827 -109349.9482 298.9291 -161364.6309 -108985.7925 299.1667 -103.4563 -75.5063 760156.9455 6.8882 6.9186 PRESSURE: 3295000 -227.963 147.234 -115.374 147.235 307.217 56.2663 -115.374 56.2662 243.039 GPRESSURE: 3295000 -205.42 194.247 -133.415 76.4216 301.677 90.7713 -106.434 33.5194 330.675 PRESSAVG: 3295000 -17.6003 -40.4797 5.73974 -40.4797 -18.7964 -19.1399 5.73969 -19.14 30.0048 GPRESSAVG: 3295000 -16.8223 -40.2783 5.57075 -40.9855 -19.0711 -18.6679 5.52004 -20.3558 28.8369 TIMING: 3295000 CPU: 10480.3, 0.00316259/step Wall: 10480.3, 0.00316259/step, 1.49784 hours remaining, 240.406250 MB of memory in use. ENERGY: 3295000 4012.3288 20530.5073 14567.2565 266.2027 -203668.5100 2974.3475 0.0000 0.0000 52247.5639 -109070.3034 300.2675 -161317.8672 -108707.5885 299.9111 107.4310 142.3108 761292.9910 -2.1306 -2.3522 PRESSURE: 3295200 168.602 60.8697 -298.054 60.8691 69.0238 212.179 -298.054 212.179 -83.8924 GPRESSURE: 3295200 161.797 -1.68767 -363.004 99.475 110.612 236.106 -171.237 272.442 -56.3752 PRESSAVG: 3295200 -27.7918 -9.37731 -65.2855 -9.3773 9.49242 3.37382 -65.2855 3.37376 -5.42781 GPRESSAVG: 3295200 -27.6501 -9.26231 -66.0569 -10.5249 8.49316 1.44872 -63.5424 6.47707 -5.42344 TIMING: 3295200 CPU: 10480.9, 0.00316289/step Wall: 10480.9, 0.00316289/step, 1.4978 hours remaining, 240.406250 MB of memory in use. ENERGY: 3295200 4071.4568 20534.3157 14521.6588 245.8983 -203663.4575 2840.5722 0.0000 0.0000 52299.3718 -109150.1840 300.5652 -161449.5558 -108788.1491 300.1949 51.2443 72.0114 759966.1982 -7.9090 -8.1934 PRESSURE: 3295400 0.108858 -159.894 -87.7224 -159.894 184.645 -241.659 -87.722 -241.658 27.6103 GPRESSURE: 3295400 -30.0484 -167.121 -19.8481 -193.559 243.444 -236.843 40.214 -259.368 68.2133 PRESSAVG: 3295400 -86.2507 8.83297 -33.424 8.83292 79.6021 6.04332 -33.424 6.04333 32.254 GPRESSAVG: 3295400 -86.7808 9.29488 -32.6446 8.7429 80.2262 7.07762 -35.3533 4.75245 32.2852 TIMING: 3295400 CPU: 10481.5, 0.00314676/step Wall: 10481.5, 0.00314676/step, 1.48999 hours remaining, 240.406250 MB of memory in use. ENERGY: 3295400 4013.5028 20571.7629 14511.7543 240.7865 -203535.4592 2875.2955 0.0000 0.0000 52208.0956 -109114.2616 300.0406 -161322.3572 -108750.9606 300.3039 70.7882 93.8696 762320.8963 8.5352 8.5769 PRESSURE: 3295600 -67.8474 145.583 31.3879 145.583 98.9335 76.3321 31.3881 76.3312 -271.009 GPRESSURE: 3295600 27.5137 70.9843 35.4327 138.035 71.6661 57.1784 70.6891 122.762 -273.7 PRESSAVG: 3295600 -77.5573 -15.198 -60.8618 -15.1979 59.9325 -8.1365 -60.8619 -8.13649 -22.1117 GPRESSAVG: 3295600 -77.4911 -16.6343 -62.2924 -13.9983 59.9378 -7.25418 -59.5581 -8.15451 -21.365 TIMING: 3295600 CPU: 10482.1, 0.00314188/step Wall: 10482.1, 0.00314188/step, 1.4875 hours remaining, 240.406250 MB of memory in use. ENERGY: 3295600 4031.8298 20607.4804 14472.2911 267.4049 -203426.0994 2696.5360 0.0000 0.0000 52199.4637 -109151.0935 299.9910 -161350.5571 -108802.2082 300.0731 -79.9743 -58.1733 761976.2699 -13.2455 -12.9727 PRESSURE: 3295800 -22.3188 -44.2471 227.179 -44.2465 -275.172 325.495 227.178 325.495 105.24 GPRESSURE: 3295800 -98.0971 -10.0155 171.567 -49.1392 -157.621 281.995 48.3173 291.645 148.472 PRESSAVG: 3295800 -13.7605 32.866 0.687846 32.8659 33.1179 9.43641 0.687828 9.43644 0.915296 GPRESSAVG: 3295800 -13.4341 34.9649 1.11817 31.0442 33.1581 8.18971 -1.6087 7.52912 0.849592 TIMING: 3295800 CPU: 10482.8, 0.00315176/step Wall: 10482.8, 0.00315176/step, 1.49201 hours remaining, 240.406250 MB of memory in use. ENERGY: 3295800 4053.4797 20619.1703 14491.9619 247.3731 -203327.0772 2692.2882 0.0000 0.0000 52190.6098 -109032.1941 299.9402 -161222.8039 -108675.9133 300.6193 -64.0838 -35.7486 762422.7732 6.7575 6.8579 PRESSURE: 3296000 -141.403 -49.7391 206.037 -49.7397 -400.265 24.4824 206.038 24.482 -91.8642 GPRESSURE: 3296000 -119.636 -78.7546 210.224 -35.7296 -351.434 -81.1486 159.307 53.961 -85.1075 PRESSAVG: 3296000 -22.9939 0.268228 59.0252 0.268189 11.5063 -24.0002 59.0252 -24.0003 -24.05 GPRESSAVG: 3296000 -23.4716 -1.08869 59.7278 0.665957 12.2297 -21.6036 61.2062 -23.676 -24.5731 TIMING: 3296000 CPU: 10483.4, 0.00316057/step Wall: 10483.4, 0.00316057/step, 1.496 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3296000 3997.5805 20506.1303 14482.4941 247.2488 -202837.8754 2308.2707 0.0000 0.0000 51905.6466 -109390.5044 298.3025 -161296.1510 -109029.5971 299.7466 -211.1774 -185.3923 762803.3986 -11.8459 -11.9383 PRESSURE: 3296200 26.0879 17.168 156.079 17.1679 43.3483 -95.099 156.08 -95.099 122.642 GPRESSURE: 3296200 117.128 -35.3332 104.217 -19.1926 37.7236 -5.29882 114.255 -129.257 137.214 PRESSAVG: 3296200 35.2013 -49.6792 80.6272 -49.6792 -0.150601 -26.155 80.6273 -26.155 -1.30417 GPRESSAVG: 3296200 34.5065 -50.1183 80.0184 -47.2343 0.190859 -27.5983 80.6719 -27.3341 -0.582422 TIMING: 3296200 CPU: 10484, 0.0031732/step Wall: 10484, 0.0031732/step, 1.50181 hours remaining, 240.406250 MB of memory in use. ENERGY: 3296200 4037.6832 20678.4145 14491.2480 259.1526 -203524.0848 2581.7495 0.0000 0.0000 52002.3898 -109473.4471 298.8584 -161475.8369 -109118.3852 299.3326 64.0260 97.3551 760555.1157 11.2488 11.3717 LDB: ============= START OF LOAD BALANCING ============== 10496.5 LDB: ============== END OF LOAD BALANCING =============== 10496.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10496.5 LDB: ============= START OF LOAD BALANCING ============== 10496.8 LDB: Largest compute 7031 load 0.036587 is 18.7% of average load 0.195243 LDB: Average compute 0.004400 is 2.3% of average load 0.195243 LDB: TIME 10496.8 LOAD: AVG 0.195243 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 10496.8 LOAD: AVG 0.195243 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 10496.8 LOAD: AVG 0.195243 MAX 0.214549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 10496.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10496.8 PRESSURE: 3296400 -68.2246 28.6378 -62.3193 28.6375 235.53 -42.8088 -62.3191 -42.8095 426.203 GPRESSURE: 3296400 12.6867 100.55 18.2678 100.219 209.083 71.9043 -18.5192 -126.163 437.297 PRESSAVG: 3296400 25.1633 -41.0886 15.6539 -41.0886 -29.3816 -32.209 15.654 -32.2091 -5.21521 GPRESSAVG: 3296400 26.5111 -39.2878 17.6737 -42.1749 -30.0822 -32.7339 13.4022 -31.8467 -5.63339 TIMING: 3296400 CPU: 10484.7, 0.00321982/step Wall: 10484.7, 0.00321982/step, 1.52369 hours remaining, 240.609375 MB of memory in use. ENERGY: 3296400 4029.8164 20617.6908 14575.5955 254.6622 -203697.9728 2738.5264 0.0000 0.0000 52325.3755 -109156.3060 300.7147 -161481.6815 -108789.5321 299.5911 197.8361 219.6890 760298.1465 -3.1445 -3.0681 PRESSURE: 3296600 -192.88 -54.5407 -268.186 -54.5405 -176.379 -235.328 -268.185 -235.328 61.9898 GPRESSURE: 3296600 -250.966 -72.452 -186.712 -58.941 -75.6105 -202.834 -300.213 -302.802 108.395 PRESSAVG: 3296600 -46.2198 -3.88174 27.519 -3.88177 82.3343 -28.6106 27.519 -28.6106 -6.71919 GPRESSAVG: 3296600 -46.8454 -4.4108 26.3061 -4.27132 83.0915 -26.2615 30.5026 -28.6295 -6.65457 TIMING: 3296600 CPU: 10485.3, 0.0031544/step Wall: 10485.3, 0.0031544/step, 1.49256 hours remaining, 240.812500 MB of memory in use. ENERGY: 3296600 4048.9377 20543.7519 14566.8779 241.4026 -202970.4776 2410.9807 0.0000 0.0000 51925.3887 -109233.1381 298.4159 -161158.5268 -108865.4159 299.7067 -102.4231 -72.7270 762021.5861 9.7984 9.8638 PRESSURE: 3296800 -150.925 -14.0527 84.328 -14.0532 -344.742 190.945 84.327 190.944 -198.438 GPRESSURE: 3296800 -86.769 54.8557 23.6301 -76.99 -301.647 151.945 -55.5694 15.2954 -204.703 PRESSAVG: 3296800 -28.6218 17.9089 -7.27076 17.9089 -4.91825 -82.13 -7.27076 -82.13 -5.69541 GPRESSAVG: 3296800 -27.9476 17.4999 -6.55786 17.8378 -5.58801 -84.9291 -10.4431 -79.8692 -5.8474 TIMING: 3296800 CPU: 10485.9, 0.00315019/step Wall: 10485.9, 0.00315019/step, 1.49039 hours remaining, 240.812500 MB of memory in use. ENERGY: 3296800 4005.0701 20631.4286 14496.0068 251.8759 -202977.3025 2195.2718 0.0000 0.0000 52212.3583 -109185.2910 300.0651 -161397.6492 -108814.4067 299.3879 -231.3684 -197.7064 762180.4838 -13.0785 -13.1277 PRESSURE: 3297000 -32.7781 -130.264 -256.173 -130.263 -214.627 116.983 -256.173 116.983 207.688 GPRESSURE: 3297000 -88.3398 -80.3227 -291.424 -75.2559 -103.414 100.742 -116.012 218.507 255.021 PRESSAVG: 3297000 6.97669 -68.3585 -32.3685 -68.3586 51.9415 -32.6438 -32.3684 -32.6437 17.3159 GPRESSAVG: 3297000 5.26411 -68.2423 -32.1891 -66.7674 53.579 -30.2882 -30.2025 -33.1844 17.4116 TIMING: 3297000 CPU: 10486.6, 0.00316299/step Wall: 10486.6, 0.00316299/step, 1.49627 hours remaining, 240.812500 MB of memory in use. ENERGY: 3297000 4042.9457 20544.3437 14499.9613 246.6900 -203223.8710 2625.7545 0.0000 0.0000 52347.9527 -108916.2230 300.8444 -161264.1758 -108561.0070 300.3878 -13.2391 21.0893 761157.5283 25.4114 25.4182 PRESSURE: 3297200 -348.06 -154.519 -112.95 -154.519 -103.938 145.744 -112.95 145.745 -242.494 GPRESSURE: 3297200 -206.085 -284.634 -138.022 -119.775 -105.575 81.3551 -32.5414 19.6085 -269.336 PRESSAVG: 3297200 -27.0418 -62.2117 -43.6363 -62.2117 44.3958 -43.0836 -43.6363 -43.0836 1.57047 GPRESSAVG: 3297200 -25.9273 -61.331 -44.9504 -63.7873 43.7614 -44.3176 -43.8623 -44.1609 1.19745 TIMING: 3297200 CPU: 10487.2, 0.00318223/step Wall: 10487.2, 0.00318223/step, 1.5052 hours remaining, 240.812500 MB of memory in use. ENERGY: 3297200 4027.7434 20538.5918 14582.3195 254.6899 -203186.0205 2617.6440 0.0000 0.0000 52308.7219 -108856.3100 300.6189 -161165.0319 -108490.8090 300.7430 -231.4970 -193.6655 762530.4817 6.3082 6.3438 PRESSURE: 3297400 221.598 153.328 -192.444 153.328 194.399 72.7451 -192.443 72.7456 200.364 GPRESSURE: 3297400 255.161 -19.4167 -191.705 81.3062 227.401 40.0265 -323.289 29.3276 233.189 PRESSAVG: 3297400 -12.372 -88.5721 -18.2833 -88.5722 41.7496 -27.2591 -18.2833 -27.259 5.44573 GPRESSAVG: 3297400 -12.7021 -88.0553 -17.0204 -88.2589 42.0474 -25.294 -19.5049 -27.6797 5.57817 TIMING: 3297400 CPU: 10487.8, 0.00316208/step Wall: 10487.8, 0.00316208/step, 1.49549 hours remaining, 240.812500 MB of memory in use. ENERGY: 3297400 4056.9875 20766.1740 14438.6063 234.2903 -203092.0734 2685.5577 0.0000 0.0000 52058.3718 -108852.0858 299.1802 -160910.4576 -108506.5865 300.4367 205.4535 238.5838 762202.9645 11.6078 11.6412 PRESSURE: 3297600 -51.7935 -52.1554 -274.664 -52.1555 147.243 -4.28499 -274.665 -4.2843 136.328 GPRESSURE: 3297600 -5.58022 -186.144 -234.735 17.459 186.349 -14.4828 -202.86 78.7924 150.591 PRESSAVG: 3297600 -64.3666 -52.2326 -45.1953 -52.2326 46.589 34.1646 -45.1952 34.1646 -14.903 GPRESSAVG: 3297600 -63.9833 -55.9276 -42.5199 -52.1631 45.1678 32.7883 -47.7523 35.521 -14.361 TIMING: 3297600 CPU: 10488.5, 0.00315479/step Wall: 10488.5, 0.00315479/step, 1.49187 hours remaining, 240.812500 MB of memory in use. ENERGY: 3297600 4046.7677 20629.0065 14505.0314 226.1981 -203285.8429 2688.8990 0.0000 0.0000 52126.5466 -109063.3936 299.5720 -161189.9402 -108688.1401 300.4182 77.2589 110.4533 761010.0772 -10.8935 -11.0588 PRESSURE: 3297800 91.9731 -2.67012 -269.246 -2.66855 64.0805 -43.8505 -269.247 -43.8506 -26.2824 GPRESSURE: 3297800 145.741 -151.834 -192.15 35.6683 101.475 -43.8311 -273.813 -85.9111 -18.9147 PRESSAVG: 3297800 -41.0324 20.2762 -50.5747 20.2762 74.4679 -53.3148 -50.5747 -53.3148 -6.35153 GPRESSAVG: 3297800 -41.7123 21.5863 -52.3264 20.9715 75.4508 -54.8726 -49.4803 -52.23 -6.58584 TIMING: 3297800 CPU: 10489.1, 0.00315575/step Wall: 10489.1, 0.00315575/step, 1.49214 hours remaining, 240.812500 MB of memory in use. ENERGY: 3297800 3925.6741 20606.7839 14472.0936 248.8536 -203471.3769 2821.2529 0.0000 0.0000 52226.9700 -109169.7488 300.1491 -161396.7188 -108806.0129 299.1789 43.2570 76.1002 763936.7428 9.0280 9.0509 PRESSURE: 3298000 216.456 -36.5001 102.741 -36.4995 293.15 -183.57 102.74 -183.57 -264.047 GPRESSURE: 3298000 309.15 -31.5929 122.467 -118.892 232.516 -181.506 101.77 -140.135 -205.023 PRESSAVG: 3298000 -3.59923 -68.6721 0.693323 -68.6721 34.6409 -4.57728 0.69327 -4.57731 12.0158 GPRESSAVG: 3298000 -2.4223 -66.7743 -0.234319 -68.1982 34.1679 -3.87142 0.544869 -5.90314 11.2049 TIMING: 3298000 CPU: 10489.7, 0.00316426/step Wall: 10489.7, 0.00316426/step, 1.49599 hours remaining, 240.812500 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: 3298000 4040.1061 20625.2340 14509.0592 236.0360 -203535.7384 2940.7738 0.0000 0.0000 52187.3543 -108997.1748 299.9214 -161184.5292 -108643.1682 299.8700 81.8531 112.2145 762442.1501 14.3525 14.3168 PRESSURE: 3298200 -133.804 -42.1005 231.48 -42.1006 37.7583 42.5189 231.48 42.5198 -203.408 GPRESSURE: 3298200 -97.5617 0.227455 116.918 -20.8336 93.1154 9.45501 181.069 -5.15118 -201.691 PRESSAVG: 3298200 8.49629 -26.6224 29.9851 -26.6224 14.3079 -45.2461 29.9852 -45.2461 -11.9423 GPRESSAVG: 3298200 6.52983 -27.6409 30.3726 -26.8656 15.053 -45.0618 32.1146 -44.9847 -10.8873 TIMING: 3298200 CPU: 10490.4, 0.00313909/step Wall: 10490.4, 0.00313909/step, 1.48392 hours remaining, 240.812500 MB of memory in use. ENERGY: 3298200 3899.0738 20450.8925 14575.2144 232.1961 -202922.9498 2392.2417 0.0000 0.0000 52371.8925 -109001.4389 300.9820 -161373.3314 -108623.3729 299.9034 -99.8177 -68.7123 762942.8467 3.6206 3.5652 PRESSURE: 3298400 -13.2071 17.9514 139.2 17.9519 353.525 48.6035 139.201 48.6027 376.07 GPRESSURE: 3298400 76.3432 116.765 45.8897 38.8638 446.988 -71.0751 110.295 -35.3019 298.756 PRESSAVG: 3298400 -44.2937 -5.48746 23.7616 -5.48742 -5.7758 -20.4926 23.7617 -20.4927 29.9917 GPRESSAVG: 3298400 -43.2459 -4.8117 22.6543 -5.56493 -7.34854 -17.9012 23.7412 -22.6646 30.1505 TIMING: 3298400 CPU: 10491, 0.00315665/step Wall: 10491, 0.00315665/step, 1.49204 hours remaining, 240.812500 MB of memory in use. ENERGY: 3298400 3941.1876 20452.4530 14502.7800 249.3358 -203628.9070 2996.7109 0.0000 0.0000 52239.8064 -109246.6334 300.2229 -161486.4399 -108885.6107 300.0462 238.7961 274.0291 761957.1784 -6.6926 -6.8146 PRESSURE: 3298600 -43.7883 -66.2359 -69.2061 -66.236 -257.921 -29.8698 -69.2063 -29.8696 -282.831 GPRESSURE: 3298600 15.4361 -82.1469 -92.9227 -56.3748 -180.974 -78.2045 -11.8445 -81.8402 -312.14 PRESSAVG: 3298600 -8.82761 -2.85142 11.9603 -2.85142 32.5258 -5.20638 11.9603 -5.20626 17.6297 GPRESSAVG: 3298600 -8.06444 -5.56763 13.1028 -3.74568 32.9742 -8.74979 9.205 -3.09052 17.1719 TIMING: 3298600 CPU: 10491.6, 0.00313422/step Wall: 10491.6, 0.00313422/step, 1.48127 hours remaining, 240.812500 MB of memory in use. ENERGY: 3298600 4027.4961 20581.9699 14472.0335 257.5134 -202895.4005 2389.5217 0.0000 0.0000 51954.4967 -109212.3692 298.5832 -161166.8659 -108852.6912 299.3364 -194.8468 -159.2260 762327.5797 13.7760 14.0272 PRESSURE: 3298800 122.186 -119.567 10.3442 -119.567 70.6533 -126.682 10.3444 -126.682 386.5 GPRESSURE: 3298800 215.385 -23.4839 94.2873 -35.1298 26.4262 -154.931 -63.3697 11.2185 400.543 PRESSAVG: 3298800 -19.9908 17.4984 14.0155 17.4984 -12.2218 -55.2688 14.0155 -55.2689 5.71344 GPRESSAVG: 3298800 -18.6412 20.4456 12.573 17.7175 -13.4047 -55.2246 15.8051 -55.8971 4.97356 TIMING: 3298800 CPU: 10492.3, 0.00316038/step Wall: 10492.3, 0.00316038/step, 1.49346 hours remaining, 240.812500 MB of memory in use. ENERGY: 3298800 3834.5241 20709.1185 14445.8347 247.6846 -202901.8139 2448.7355 0.0000 0.0000 51790.8233 -109425.0932 297.6426 -161215.9165 -109076.5449 298.5432 193.1133 214.1180 762018.4179 -8.8330 -9.0241 PRESSURE: 3299000 303.614 -83.2503 6.49752 -83.2505 145.705 -42.6935 6.49778 -42.6947 226.984 GPRESSURE: 3299000 351.263 -132.585 -31.6532 -0.365628 156.005 1.12262 22.6873 -68.4171 249.126 PRESSAVG: 3299000 11.5558 11.8733 -25.2639 11.8733 -34.5663 -26.4913 -25.2639 -26.4914 13.679 GPRESSAVG: 3299000 11.1853 14.4194 -23.8295 9.76262 -34.0316 -26.3414 -25.8735 -25.5702 13.6486 TIMING: 3299000 CPU: 10492.9, 0.00313898/step Wall: 10492.9, 0.00313898/step, 1.48317 hours remaining, 240.812500 MB of memory in use. ENERGY: 3299000 3840.7976 20347.5391 14510.2003 246.5217 -203349.2766 2806.3361 0.0000 0.0000 52086.8719 -109511.0100 299.3440 -161597.8819 -109144.3967 298.7141 225.4344 252.1314 762157.2800 -3.1105 -3.0659 PRESSURE: 3299200 116.426 52.7544 146.042 52.7538 77.5222 -78.1519 146.04 -78.1538 264.297 GPRESSURE: 3299200 176.435 21.2485 117.771 140.593 103.807 -26.1762 119.628 -126.39 250.806 PRESSAVG: 3299200 -50.1071 -44.7968 2.26825 -44.7968 56.8071 30.1766 2.2683 30.1766 -19.3491 GPRESSAVG: 3299200 -52.367 -47.0039 2.89083 -43.5562 57.4771 31.0873 0.293817 31.2951 -17.6127 TIMING: 3299200 CPU: 10493.5, 0.00315102/step Wall: 10493.5, 0.00315102/step, 1.48868 hours remaining, 240.812500 MB of memory in use. ENERGY: 3299200 3956.6777 20513.5258 14553.0690 244.8470 -203333.3869 2558.3082 0.0000 0.0000 51905.9792 -109600.9800 298.3044 -161506.9591 -109252.4284 298.6454 152.7482 177.0162 761692.1991 -4.2164 -4.1675 PRESSURE: 3299400 56.2439 -6.24455 46.3869 -6.24466 56.5411 111.654 46.3874 111.654 239.598 GPRESSURE: 3299400 177.768 -143.725 57.1537 -62.1652 80.5757 14.2524 58.9556 136.338 187.276 PRESSAVG: 3299400 -18.0933 30.0058 -17.7151 30.0059 13.7753 3.95223 -17.7151 3.9522 -6.89112 GPRESSAVG: 3299400 -17.323 31.3673 -19.5225 29.4704 13.9636 4.06958 -17.0082 4.02004 -7.23506 TIMING: 3299400 CPU: 10494.2, 0.0031587/step Wall: 10494.2, 0.0031587/step, 1.49213 hours remaining, 240.812500 MB of memory in use. ENERGY: 3299400 3975.3395 20428.8318 14486.1153 250.6694 -203689.3097 2891.4613 0.0000 0.0000 52327.0559 -109329.8365 300.7243 -161656.8924 -108969.7247 299.2370 117.4609 148.5397 760571.5459 -3.7364 -3.5315 PRESSURE: 3299600 -28.5837 177.608 49.4729 177.609 -544.803 -165.425 49.4728 -165.425 -257.759 GPRESSURE: 3299600 -42.816 75.6519 68.0842 167.575 -486.055 -120.362 88.9379 -175.658 -196.121 PRESSAVG: 3299600 7.01657 -26.993 -34.0206 -26.993 -2.97692 32.4955 -34.0207 32.4955 -10.8137 GPRESSAVG: 3299600 7.32861 -28.7727 -33.8644 -26.1325 -3.30099 32.2875 -33.6791 30.44 -11.0748 TIMING: 3299600 CPU: 10494.8, 0.00314742/step Wall: 10494.8, 0.00314742/step, 1.48663 hours remaining, 240.812500 MB of memory in use. ENERGY: 3299600 4034.2266 20301.7606 14460.9881 250.7986 -202792.0811 1979.6273 0.0000 0.0000 52251.4654 -109513.2146 300.2899 -161764.6800 -109152.8682 299.2786 -277.0488 -241.6638 760673.3055 -2.2580 -2.3490 PRESSURE: 3299800 68.6971 198.227 -184.391 198.226 66.6799 -97.2633 -184.392 -97.264 189.035 GPRESSURE: 3299800 75.6102 174.208 -173.714 261.109 96.7342 -127.164 -166.513 -89.0781 231.779 PRESSAVG: 3299800 26.7116 15.8199 -23.0237 15.8199 -9.35209 -13.6331 -23.0237 -13.6332 7.78215 GPRESSAVG: 3299800 26.1969 17.0854 -20.3569 16.8029 -10.0274 -14.1411 -23.3424 -12.3327 8.6281 TIMING: 3299800 CPU: 10495.4, 0.00315158/step Wall: 10495.4, 0.00315158/step, 1.48842 hours remaining, 240.812500 MB of memory in use. ENERGY: 3299800 3927.1657 20348.9982 14408.6324 250.4959 -202911.8977 2372.4254 0.0000 0.0000 52017.4000 -109586.7801 298.9447 -161604.1800 -109221.1232 298.9994 108.1374 134.7077 761566.6564 8.3806 8.2659 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3300000 -158.162 116.341 245.456 116.341 -68.3403 -145.302 245.455 -145.301 436.001 GPRESSURE: 3300000 -36.9353 235.228 216.375 39.4307 -98.4411 -179.941 191.525 -88.6506 429.235 PRESSAVG: 3300000 -29.2144 8.97609 -21.5415 8.97611 15.3073 36.2423 -21.5415 36.2423 11.1103 GPRESSAVG: 3300000 -27.6913 9.09088 -21.664 6.88084 15.2663 37.3692 -23.4129 34.9523 9.78776 TIMING: 3300000 CPU: 10496.1, 0.00322773/step Wall: 10496.1, 0.00322773/step, 1.5242 hours remaining, 240.812500 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: 3300000 3941.6107 20369.2483 14425.8568 255.7772 -203145.2724 2418.0696 0.0000 0.0000 52181.4752 -109553.2346 299.8877 -161734.7099 -109190.3818 298.9615 69.8329 97.9528 761106.0780 -0.9323 -0.8791 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 -295.656 -84.1865 81.8652 -84.1864 -230.163 -319.619 81.8652 -319.619 -477.36 GPRESSURE: 3300200 -289.904 -120.787 31.749 17.3417 -152.203 -389.307 -19.2398 -265.344 -478.518 PRESSAVG: 3300200 -25.7515 -7.7957 -3.16726 -7.79565 8.29238 19.1165 -3.16725 19.1165 -9.32602 GPRESSAVG: 3300200 -26.7761 -10.1327 -4.91471 -6.11112 8.71163 19.7897 0.463723 19.6592 -7.90849 TIMING: 3300200 CPU: 10496.7, 0.00317313/step Wall: 10496.7, 0.00317313/step, 1.49825 hours remaining, 240.812500 MB of memory in use. ENERGY: 3300200 4012.6238 20535.9330 14360.6307 241.0110 -202788.7572 2190.0217 0.0000 0.0000 51959.3633 -109489.1738 298.6112 -161448.5371 -109110.9302 298.7173 -334.3929 -306.8750 762348.6198 -8.9284 -8.6577 LDB: ============= START OF LOAD BALANCING ============== 10509.1 LDB: ============== END OF LOAD BALANCING =============== 10509.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10509.1 LDB: ============= START OF LOAD BALANCING ============== 10509.5 LDB: Largest compute 7070 load 0.037770 is 19.3% of average load 0.195377 LDB: Average compute 0.004397 is 2.3% of average load 0.195377 LDB: TIME 10509.5 LOAD: AVG 0.195377 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 10509.5 LOAD: AVG 0.195377 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 10509.5 LOAD: AVG 0.195377 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 10509.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10509.5 PRESSURE: 3300400 260.011 -16.2358 -268.112 -16.235 196.506 112.722 -268.112 112.721 224.216 GPRESSURE: 3300400 251.517 18.988 -245.494 44.7159 272.73 132.274 -309.213 -105.305 232.643 PRESSAVG: 3300400 -14.8052 -31.4299 -11.6894 -31.4299 28.0208 -46.4216 -11.6894 -46.4216 11.6287 GPRESSAVG: 3300400 -14.2192 -29.4527 -12.3585 -32.7916 27.8968 -45.4299 -15.1955 -49.5919 11.394 TIMING: 3300400 CPU: 10497.3, 0.00322263/step Wall: 10497.3, 0.00322263/step, 1.52144 hours remaining, 241.308594 MB of memory in use. ENERGY: 3300400 3855.7135 20729.0276 14344.2974 237.6471 -203662.1531 2919.1229 0.0000 0.0000 52205.7459 -109370.5987 300.0271 -161576.3446 -109008.2191 299.1651 226.9109 252.2968 760162.8335 8.2815 8.3572 PRESSURE: 3300600 94.7605 -65.7709 -147.936 -65.7702 -198.217 -26.0864 -147.935 -26.0867 -397.135 GPRESSURE: 3300600 113.189 -110.844 -170.265 29.3689 -167.2 -4.85966 34.6919 104.433 -384.237 PRESSAVG: 3300600 -23.9188 -2.44218 -46.4421 -2.44223 -2.85586 36.036 -46.4421 36.036 7.53771 GPRESSAVG: 3300600 -23.9995 -5.02217 -46.5591 -0.999768 -2.96247 32.4402 -40.4842 40.492 7.60792 TIMING: 3300600 CPU: 10498, 0.00313576/step Wall: 10498, 0.00313576/step, 1.48025 hours remaining, 241.308594 MB of memory in use. ENERGY: 3300600 3941.6442 20640.2001 14451.2101 259.1897 -203087.5140 2495.4516 0.0000 0.0000 51952.2703 -109347.5479 298.5704 -161299.8182 -108980.8806 299.5534 -166.8636 -146.0825 761901.3169 -6.4123 -6.4513 PRESSURE: 3300800 -465.986 -94.6605 -7.19808 -94.66 -139.273 -286.927 -7.19749 -286.928 -267.331 GPRESSURE: 3300800 -358.163 81.6832 -46.1389 -85.3341 -203.811 -268.197 53.3892 -163.79 -219.686 PRESSAVG: 3300800 4.15412 -80.2799 -23.1207 -80.2799 22.6125 -20.3608 -23.1207 -20.3607 19.8268 GPRESSAVG: 3300800 3.58328 -77.0397 -22.2943 -83.0877 23.2973 -18.0055 -24.4462 -20.8035 19.6939 TIMING: 3300800 CPU: 10498.6, 0.00316897/step Wall: 10498.6, 0.00316897/step, 1.49575 hours remaining, 241.308594 MB of memory in use. ENERGY: 3300800 4046.0423 20455.5965 14497.5363 232.1416 -203074.6983 2451.1992 0.0000 0.0000 51993.2323 -109398.9501 298.8058 -161392.1824 -109043.1088 299.0223 -290.8633 -260.5531 762756.1274 15.5311 15.5248 PRESSURE: 3301000 -100.256 36.2942 49.9218 36.2945 -124.582 37.2627 49.9218 37.2629 -304.917 GPRESSURE: 3301000 -89.9008 26.8373 22.6336 -128.339 -55.5939 38.0929 104.574 247.224 -304.738 PRESSAVG: 3301000 16.9126 -26.8691 5.47802 -26.8691 -6.88406 2.69565 5.47797 2.69559 28.8217 GPRESSAVG: 3301000 17.0506 -27.5589 5.84217 -25.7995 -7.1119 1.89951 5.56078 4.37413 29.176 TIMING: 3301000 CPU: 10499.2, 0.00314294/step Wall: 10499.2, 0.00314294/step, 1.48329 hours remaining, 241.308594 MB of memory in use. ENERGY: 3301000 4077.9483 20595.6654 14410.2854 252.1274 -202853.2360 2453.1971 0.0000 0.0000 51871.9951 -109192.0173 298.1091 -161064.0124 -108822.1453 300.0236 -176.5848 -150.0775 762757.5804 12.9501 13.0382 PRESSURE: 3301200 -165.356 -72.9897 130.377 -72.99 311.893 182.925 130.378 182.925 -38.0271 GPRESSURE: 3301200 -109.943 -107.144 166.083 -104.367 323.391 95.2818 148.109 75.7216 -2.92323 PRESSAVG: 3301200 -6.12751 -38.1212 -4.90015 -38.1212 -2.45416 16.7363 -4.9002 16.7364 -11.6623 GPRESSAVG: 3301200 -6.78248 -39.0412 -5.34427 -38.4353 -1.76516 16.3086 -3.89191 16.2623 -11.776 TIMING: 3301200 CPU: 10499.9, 0.00314624/step Wall: 10499.9, 0.00314624/step, 1.48467 hours remaining, 241.308594 MB of memory in use. ENERGY: 3301200 4004.0930 20402.0488 14484.2434 228.7726 -203042.1135 2604.9896 0.0000 0.0000 52201.7534 -109116.2127 300.0042 -161317.9662 -108747.4675 299.7258 36.1699 70.1746 762000.4292 -6.7480 -6.7746 PRESSURE: 3301400 -597.946 -19.6421 -211.345 -19.6412 141.648 43.4517 -211.345 43.451 -214.026 GPRESSURE: 3301400 -525.92 -84.3187 -188.633 71.5198 106.214 150.479 -105.263 91.309 -178.083 PRESSAVG: 3301400 -35.2787 -21.939 -7.27469 -21.939 13.3846 5.16789 -7.2747 5.16793 -0.0765005 GPRESSAVG: 3301400 -33.4754 -23.0237 -7.92895 -21.2087 11.8643 5.17619 -8.3197 4.73376 0.169852 TIMING: 3301400 CPU: 10500.5, 0.00315119/step Wall: 10500.5, 0.00315119/step, 1.48684 hours remaining, 241.308594 MB of memory in use. ENERGY: 3301400 3988.0335 20491.0303 14525.8990 243.2787 -202720.1058 2135.4200 0.0000 0.0000 52270.4411 -109066.0032 300.3989 -161336.4443 -108703.2034 299.8157 -223.4415 -199.2631 761837.9989 -7.3235 -7.1471 PRESSURE: 3301600 -101.924 -257.476 -114.687 -257.477 -124.681 13.4215 -114.687 13.4214 135.928 GPRESSURE: 3301600 -11.6105 -210.473 -171.657 -286.446 -179.949 87.4361 -138.178 -2.18628 164.675 PRESSAVG: 3301600 0.454397 -38.8955 -49.2732 -38.8956 -29.4976 13.5702 -49.2733 13.5703 19.3499 GPRESSAVG: 3301600 0.440273 -37.3943 -47.8759 -38.6297 -28.244 15.0163 -50.7827 11.8753 17.8991 TIMING: 3301600 CPU: 10501.1, 0.00314609/step Wall: 10501.1, 0.00314609/step, 1.48425 hours remaining, 241.308594 MB of memory in use. ENERGY: 3301600 4016.5630 20641.0902 14515.9004 260.7275 -203352.6637 2695.4706 0.0000 0.0000 52232.8470 -108990.0650 300.1829 -161222.9120 -108636.8996 299.8852 -30.2255 -8.9616 761364.0671 -3.2311 -3.3016 PRESSURE: 3301800 447.95 75.8832 -121.634 75.8839 -94.0284 -11.683 -121.634 -11.6841 135.267 GPRESSURE: 3301800 483.413 36.7296 -120.262 168.098 6.62009 -39.7596 -96.4511 66.2375 60.2841 PRESSAVG: 3301800 -69.5952 -27.2097 23.9433 -27.2097 20.1324 -22.0508 23.9433 -22.0507 -3.85096 GPRESSAVG: 3301800 -70.7473 -28.9847 22.871 -27.6625 19.1346 -23.731 23.5572 -20.3655 -2.10383 TIMING: 3301800 CPU: 10501.7, 0.00315391/step Wall: 10501.7, 0.00315391/step, 1.48777 hours remaining, 241.308594 MB of memory in use. ENERGY: 3301800 3959.8939 20637.1902 14566.5398 269.3276 -203604.5258 2645.9612 0.0000 0.0000 52624.5199 -108901.0932 302.4338 -161525.6131 -108532.0622 300.0508 163.0628 183.4392 760712.0327 -17.7713 -17.9055 PRESSURE: 3302000 -211.646 77.8307 -202.211 77.8308 -318.761 186.312 -202.21 186.313 -219.445 GPRESSURE: 3302000 -155.38 184.985 -196.086 74.0858 -368.58 180.786 -251.042 135.033 -144.301 PRESSAVG: 3302000 -51.8118 -13.4056 -57.8175 -13.4057 21.2436 -7.24583 -57.8175 -7.24582 16.3192 GPRESSAVG: 3302000 -51.7819 -11.2907 -57.0252 -15.9219 21.6267 -7.3263 -55.9412 -8.29314 15.7763 TIMING: 3302000 CPU: 10502.4, 0.00314131/step Wall: 10502.4, 0.00314131/step, 1.48165 hours remaining, 241.308594 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: 3302000 3978.3377 20694.2801 14495.2456 235.5737 -203170.1725 2569.5894 0.0000 0.0000 51939.6762 -109257.4699 298.4980 -161197.1461 -108900.8208 299.7844 -249.9509 -222.7534 762417.5948 -4.7497 -4.7930 PRESSURE: 3302200 -238.076 1.03678 51.0609 1.03734 -255.106 -260.907 51.0616 -260.906 86.473 GPRESSURE: 3302200 -193.019 0.0632696 31.3515 8.05785 -204.106 -254.65 21.6024 -114.559 71.0183 PRESSAVG: 3302200 40.2856 94.2059 -67.8134 94.2059 14.3216 3.78577 -67.8133 3.78575 12.3669 GPRESSAVG: 3302200 40.831 93.2663 -67.8546 93.3009 13.0747 3.8381 -69.4447 4.43649 13.1478 TIMING: 3302200 CPU: 10503, 0.00316116/step Wall: 10503, 0.00316116/step, 1.49084 hours remaining, 241.308594 MB of memory in use. ENERGY: 3302200 4066.4777 20626.2089 14534.5321 263.9666 -203519.2991 2763.5770 0.0000 0.0000 51855.2081 -109409.3287 298.0126 -161264.5369 -109047.9067 299.7095 -135.5697 -108.7023 762083.5828 22.3247 22.3512 PRESSURE: 3302400 -163.892 80.5713 92.6665 80.5713 275.752 59.914 92.6663 59.9123 -151.37 GPRESSURE: 3302400 -42.2177 70.5305 112.188 -30.8376 235.698 -2.53816 73.8097 22.8727 -126.047 PRESSAVG: 3302400 -24.627 2.94362 -16.4533 2.94363 -20.9421 16.8828 -16.4533 16.8828 19.6694 GPRESSAVG: 3302400 -24.6826 5.33245 -16.277 4.26515 -20.1019 16.9526 -15.2914 15.4055 18.7872 TIMING: 3302400 CPU: 10503.6, 0.00313898/step Wall: 10503.6, 0.00313898/step, 1.4802 hours remaining, 241.308594 MB of memory in use. ENERGY: 3302400 3863.9378 20661.2000 14500.1054 255.3060 -203339.6069 2744.1212 0.0000 0.0000 52048.9653 -109265.9711 299.1261 -161314.9364 -108903.9812 299.1096 -13.1702 22.4778 762235.7377 -8.6332 -8.6658 PRESSURE: 3302600 -208.85 13.2411 35.0542 13.2425 108.416 78.3722 35.0541 78.3723 -32.2589 GPRESSURE: 3302600 -100.843 28.2332 58.8279 -5.51187 87.9211 101.254 43.3081 211.249 -65.0405 PRESSAVG: 3302600 -12.2258 -62.4968 -38.2624 -62.4968 12.5838 -41.5035 -38.2624 -41.5035 21.4864 GPRESSAVG: 3302600 -12.5718 -68.2558 -37.5451 -59.185 13.3738 -41.4794 -40.2884 -41.1528 21.1747 TIMING: 3302600 CPU: 10504.3, 0.00313781/step Wall: 10504.3, 0.00313781/step, 1.47948 hours remaining, 241.308594 MB of memory in use. ENERGY: 3302600 4027.0083 20493.6982 14434.7048 240.1698 -203308.4543 2648.7521 0.0000 0.0000 52240.3944 -109223.7268 300.2263 -161464.1212 -108862.3617 299.5759 -44.2309 -25.9874 762795.7796 7.2815 7.3255 PRESSURE: 3302800 30.3696 26.3058 -88.7779 26.305 -3.2015 -187.806 -88.7775 -187.806 167.593 GPRESSURE: 3302800 75.7421 28.6487 -188.93 -113.724 81.1835 -221.104 43.6894 -140.113 129.198 PRESSAVG: 3302800 -8.81346 -8.64442 -20.4957 -8.64444 34.0413 -51.1266 -20.4957 -51.1266 22.5403 GPRESSAVG: 3302800 -8.4901 -5.78887 -21.1848 -9.95725 33.6766 -51.8053 -19.5 -50.3356 22.7781 TIMING: 3302800 CPU: 10504.9, 0.00313635/step Wall: 10504.9, 0.00313635/step, 1.47861 hours remaining, 241.308594 MB of memory in use. ENERGY: 3302800 4064.2926 20626.4943 14431.8259 259.5685 -203222.5924 2703.5427 0.0000 0.0000 52059.2320 -109077.6364 299.1851 -161136.8684 -108702.7800 299.7261 64.9202 95.3743 762499.9291 15.9227 15.9882 PRESSURE: 3303000 320.915 162.782 14.4725 162.783 -160.184 115.254 14.4724 115.253 -100.082 GPRESSURE: 3303000 300.905 118.428 68.4887 165.432 -166.223 89.818 -53.667 36.3498 14.4787 PRESSAVG: 3303000 -29.4236 -23.5505 -53.1836 -23.5505 2.80897 48.435 -53.1835 48.4349 -12.7285 GPRESSAVG: 3303000 -30.0472 -25.3634 -53.3693 -24.0749 3.18388 48.6665 -51.2823 47.7047 -12.98 TIMING: 3303000 CPU: 10505.5, 0.0031565/step Wall: 10505.5, 0.0031565/step, 1.48794 hours remaining, 241.308594 MB of memory in use. ENERGY: 3303000 3993.3074 20698.7997 14403.8437 267.2013 -203648.9731 2970.2710 0.0000 0.0000 52156.5368 -109159.0132 299.7443 -161315.5500 -108802.4401 299.8698 20.2161 49.7204 761621.7862 -13.1144 -13.2811 PRESSURE: 3303200 106.85 190.693 253.775 190.693 409.658 -184.451 253.776 -184.451 32.11 GPRESSURE: 3303200 212.548 111.379 309.577 61.8751 350.919 -171.136 194.573 -139.521 40.0209 PRESSAVG: 3303200 -8.87305 -49.58 -7.85114 -49.5799 13.5178 -2.23357 -7.85117 -2.23364 -37.1192 GPRESSAVG: 3303200 -9.091 -46.4359 -6.53405 -49.007 13.2524 -0.794898 -9.10808 -1.76555 -37.1129 TIMING: 3303200 CPU: 10506.1, 0.00313394/step Wall: 10506.1, 0.00313394/step, 1.47713 hours remaining, 241.308594 MB of memory in use. ENERGY: 3303200 3992.6951 20603.4934 14443.1426 243.4683 -203366.2039 2788.5191 0.0000 0.0000 52261.6320 -109033.2534 300.3483 -161294.8854 -108673.6011 300.2187 182.8729 201.1627 760722.5779 -10.8248 -10.9838 PRESSURE: 3303400 33.5066 -225.124 220.016 -225.124 -318.656 14.17 220.016 14.1705 32.2419 GPRESSURE: 3303400 149.886 -261.143 171.973 -219.708 -380.346 35.3453 275.199 80.9221 73.8369 PRESSAVG: 3303400 56.9915 -13.8393 39.1593 -13.8393 -16.4078 -72.7719 39.1593 -72.7719 24.5818 GPRESSAVG: 3303400 57.3343 -14.9538 36.5081 -13.4472 -16.8309 -72.9204 38.1705 -73.7309 25.7581 TIMING: 3303400 CPU: 10506.8, 0.00314238/step Wall: 10506.8, 0.00314238/step, 1.48094 hours remaining, 241.308594 MB of memory in use. ENERGY: 3303400 4029.6183 20565.8485 14481.7878 234.0529 -203230.0817 2355.3486 0.0000 0.0000 52296.0810 -109267.3446 300.5463 -161563.4257 -108901.7446 300.1705 -84.3024 -52.2076 760517.5789 21.7218 22.0872 PRESSURE: 3303600 196.996 -147.235 -250.376 -147.235 -29.6639 28.4523 -250.375 28.4531 -240.241 GPRESSURE: 3303600 270.547 -144.505 -187.567 -91.9785 -65.0488 -15.1828 -140.592 64.5776 -205.706 PRESSAVG: 3303600 28.202 7.44822 2.41024 7.44829 -45.699 -28.862 2.41024 -28.8622 14.1853 GPRESSAVG: 3303600 26.8686 6.37965 4.60327 8.77268 -43.8458 -30.5306 2.12656 -27.897 13.9335 TIMING: 3303600 CPU: 10507.4, 0.00314788/step Wall: 10507.4, 0.00314788/step, 1.48335 hours remaining, 241.308594 MB of memory in use. ENERGY: 3303600 4017.3330 20706.9245 14470.7557 251.0458 -203549.2843 2811.9819 0.0000 0.0000 52154.7218 -109136.5215 299.7339 -161291.2433 -108778.5972 299.6409 -24.3030 -0.0690 760710.0728 -1.1039 -1.0146 PRESSURE: 3303800 15.1196 -79.3839 -78.6281 -79.3844 -113.859 109.077 -78.6285 109.078 -72.0743 GPRESSURE: 3303800 40.7176 53.3577 -75.6021 -86.7399 -89.1229 75.0365 45.1942 144.282 -47.0654 PRESSAVG: 3303800 11.7508 -6.21683 14.0411 -6.21679 -18.9663 -58.3275 14.0411 -58.3275 -10.5518 GPRESSAVG: 3303800 12.6106 -5.97102 14.7435 -6.99264 -19.7669 -57.9146 15.3394 -60.1644 -10.8752 TIMING: 3303800 CPU: 10508, 0.0031504/step Wall: 10508, 0.0031504/step, 1.48436 hours remaining, 241.308594 MB of memory in use. ENERGY: 3303800 4079.2869 20467.8308 14543.7566 277.7556 -203541.3671 2497.5556 0.0000 0.0000 52345.9755 -109329.2062 300.8330 -161675.1817 -108950.2386 300.0866 -56.9381 -31.8236 760850.3258 -5.9225 -6.0105 PRESSURE: 3304000 311.032 4.29359 -52.9662 4.29347 241.346 -241.304 -52.9662 -241.305 -35.5087 GPRESSURE: 3304000 282.039 -53.5316 -55.6355 -46.7789 279.054 -269.155 -46.357 -241.134 26.3793 PRESSAVG: 3304000 14.0616 46.281 42.6823 46.2809 -37.3605 -68.4607 42.6823 -68.4607 -22.5889 GPRESSAVG: 3304000 14.3486 46.0124 41.7865 46.1192 -37.853 -68.6201 44.3515 -64.639 -22.1896 TIMING: 3304000 CPU: 10508.7, 0.00315569/step Wall: 10508.7, 0.00315569/step, 1.48668 hours remaining, 241.308594 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: 3304000 4071.8719 20646.6316 14446.6696 243.7399 -203643.7397 2739.4038 0.0000 0.0000 51841.8294 -109653.5935 297.9357 -161495.4229 -109295.2035 299.1987 172.2898 195.8241 760368.9308 -15.2959 -15.2313 PRESSURE: 3304200 -165.865 72.0095 -310.83 72.0097 -249.674 138.07 -310.83 138.07 136.363 GPRESSURE: 3304200 -114.669 10.3731 -301.241 185.807 -181.162 58.6971 -128.789 79.852 105.67 PRESSAVG: 3304200 -7.84299 36.2446 -9.08208 36.2446 13.8744 -27.4093 -9.08206 -27.4093 -8.302 GPRESSAVG: 3304200 -7.68167 37.9239 -9.75361 36.0599 14.9622 -25.2839 -9.20519 -31.8431 -8.90083 TIMING: 3304200 CPU: 10509.3, 0.00313231/step Wall: 10509.3, 0.00313231/step, 1.47549 hours remaining, 241.308594 MB of memory in use. ENERGY: 3304200 3887.0255 20762.7315 14518.9258 273.9530 -203310.1297 2287.9007 0.0000 0.0000 52131.8154 -109447.7777 299.6023 -161579.5932 -109082.3646 299.2384 -93.0586 -63.3871 761530.6035 -0.7569 -0.5401 LDB: ============= START OF LOAD BALANCING ============== 10521.7 LDB: ============== END OF LOAD BALANCING =============== 10521.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10521.7 LDB: ============= START OF LOAD BALANCING ============== 10522.1 LDB: Largest compute 7031 load 0.034664 is 17.7% of average load 0.195533 LDB: Average compute 0.004380 is 2.2% of average load 0.195533 LDB: TIME 10522.1 LOAD: AVG 0.195533 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.254 MB LDB: TIME 10522.1 LOAD: AVG 0.195533 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.258 MB LDB: TIME 10522.1 LOAD: AVG 0.195533 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.258 MB LDB: ============== END OF LOAD BALANCING =============== 10522.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10522.1 PRESSURE: 3304400 172.364 -78.0098 -50.2632 -78.0106 278.706 -269.889 -50.2635 -269.89 117.237 GPRESSURE: 3304400 198.997 -75.4019 -57.0946 -48.326 322.741 -161.393 -57.7118 -169.619 131.957 PRESSAVG: 3304400 -33.958 58.5836 15.9746 58.5836 13.349 -39.5164 15.9746 -39.5164 -18.2552 GPRESSAVG: 3304400 -32.6873 60.1718 17.5004 56.9637 10.9249 -40.4568 15.3087 -35.9738 -17.0973 TIMING: 3304400 CPU: 10509.9, 0.0032009/step Wall: 10509.9, 0.00320089/step, 1.50762 hours remaining, 240.027344 MB of memory in use. ENERGY: 3304400 4005.0718 20688.2718 14476.8083 243.3999 -203785.1593 2681.3830 0.0000 0.0000 52321.2501 -109368.9744 300.6909 -161690.2244 -108996.9088 299.6657 189.4359 217.8983 759854.4306 -12.9547 -12.9532 PRESSURE: 3304600 97.8541 -12.1737 -2.85942 -12.1738 45.3999 -68.6203 -2.85916 -68.6195 -74.793 GPRESSURE: 3304600 160.839 94.2028 69.087 3.74773 57.8462 -108.655 7.79479 -22.3584 -57.1253 PRESSAVG: 3304600 12.3222 5.91312 3.34609 5.9132 0.326289 -3.21656 3.34612 -3.21652 7.78274 GPRESSAVG: 3304600 11.3216 3.29463 2.22694 8.45424 2.14716 -3.50645 4.35875 -3.40678 6.9259 TIMING: 3304600 CPU: 10510.6, 0.00315026/step Wall: 10510.6, 0.00315026/step, 1.4836 hours remaining, 240.027344 MB of memory in use. ENERGY: 3304600 3981.0809 20540.4629 14423.9152 255.0853 -203576.9155 2913.4567 0.0000 0.0000 52260.8332 -109202.0814 300.3437 -161462.9145 -108841.2934 299.8688 22.8203 53.8532 760782.6742 6.8104 6.7982 PRESSURE: 3304800 39.5423 52.5748 48.4218 52.5745 -73.5295 -78.1371 48.4218 -78.1367 8.04525 GPRESSURE: 3304800 85.4615 -9.76238 63.747 26.4664 4.55564 -22.8425 56.3236 -124.912 -32.0942 PRESSAVG: 3304800 -28.2478 -8.44717 -4.95794 -8.44714 11.7587 -31.7124 -4.95798 -31.7123 11.0934 GPRESSAVG: 3304800 -28.8721 -8.6695 -3.9639 -9.09758 11.8947 -30.7806 -6.87428 -31.7831 10.9025 TIMING: 3304800 CPU: 10511.2, 0.00312943/step Wall: 10511.2, 0.00312943/step, 1.47362 hours remaining, 240.027344 MB of memory in use. ENERGY: 3304800 4044.8088 20660.6797 14439.4795 256.6682 -203437.2734 2535.4371 0.0000 0.0000 52315.3974 -109184.8027 300.6573 -161500.2001 -108816.3364 300.0335 -8.6473 19.3076 762141.3638 -1.7986 -2.0250 PRESSURE: 3305000 -27.4398 -124.959 58.6877 -124.958 0.744135 -34.5136 58.6881 -34.5132 144.771 GPRESSURE: 3305000 26.6119 -262.56 -40.4138 -48.6182 63.6633 -79.61 87.8713 -84.7377 109.967 PRESSAVG: 3305000 -16.8144 -42.2404 -35.8126 -42.2404 -8.69095 33.4775 -35.8125 33.4774 17.2718 GPRESSAVG: 3305000 -17.1882 -40.3641 -36.2797 -44.0343 -8.80595 32.0159 -33.8 33.9875 17.2801 TIMING: 3305000 CPU: 10511.8, 0.00313981/step Wall: 10511.8, 0.00313981/step, 1.47833 hours remaining, 240.027344 MB of memory in use. ENERGY: 3305000 3949.6173 20686.1821 14473.7963 244.7848 -203598.2099 2893.5448 0.0000 0.0000 52428.1003 -108922.1844 301.3050 -161350.2847 -108554.8777 300.3131 39.3584 66.7475 762106.6341 -2.7445 -2.9047 PRESSURE: 3305200 340.911 -68.2417 96.8915 -68.2413 -37.5107 130.739 96.8925 130.741 29.5006 GPRESSURE: 3305200 354.173 -145.167 72.8779 -6.70108 15.2198 119.362 81.59 36.9611 47.9017 PRESSAVG: 3305200 18.146 -7.96838 -5.63643 -7.96838 -25.7796 9.52351 -5.63648 9.52357 5.44269 GPRESSAVG: 3305200 18.3285 -9.94152 -5.93659 -7.10527 -26.1424 10.1042 -7.85696 8.9991 5.09868 TIMING: 3305200 CPU: 10512.4, 0.00314818/step Wall: 10512.4, 0.00314818/step, 1.4821 hours remaining, 240.027344 MB of memory in use. ENERGY: 3305200 4029.0894 20617.9344 14483.3416 234.4970 -203197.4389 2567.5028 0.0000 0.0000 52433.7596 -108831.3141 301.3375 -161265.0736 -108476.7829 300.6186 110.9669 139.0983 761790.6944 -0.7303 -0.9051 PRESSURE: 3305400 72.7269 -151.459 -158.159 -151.458 -228.225 223.069 -158.159 223.069 -707.975 GPRESSURE: 3305400 162.362 -109.121 -115.308 -177.591 -239.461 187.205 -112.312 27.8643 -705.394 PRESSAVG: 3305400 9.85782 -27.6691 -23.8464 -27.6691 -35.7976 -20.4599 -23.8464 -20.4598 -14.0567 GPRESSAVG: 3305400 10.058 -26.4169 -23.7466 -26.3304 -36.9422 -19.8355 -24.0661 -21.0476 -12.8375 TIMING: 3305400 CPU: 10513.1, 0.00314999/step Wall: 10513.1, 0.00314999/step, 1.48277 hours remaining, 240.027344 MB of memory in use. ENERGY: 3305400 4049.2618 20639.5933 14514.9764 236.2569 -203596.3894 2850.2205 0.0000 0.0000 52322.4161 -108983.6643 300.6976 -161306.0804 -108625.0545 300.3753 -287.8242 -260.8310 761098.1145 -13.3322 -13.2406 PRESSURE: 3305600 -368.083 -45.2744 11.3079 -45.2731 -29.3542 -26.8687 11.3077 -26.8691 -79.807 GPRESSURE: 3305600 -336.295 -36.729 59.0685 -31.4254 23.1475 -70.333 44.6797 37.6575 -75.6486 PRESSAVG: 3305600 40.8273 -64.9735 -85.8141 -64.9736 16.7819 -31.6629 -85.8142 -31.6629 -5.43681 GPRESSAVG: 3305600 40.3664 -65.2456 -85.1754 -65.0425 18.0978 -33.2578 -85.407 -31.6379 -6.50878 TIMING: 3305600 CPU: 10513.7, 0.00314515/step Wall: 10513.7, 0.00314515/step, 1.48032 hours remaining, 240.027344 MB of memory in use. ENERGY: 3305600 3947.7249 20602.8950 14530.0513 261.4457 -202899.3836 2256.0508 0.0000 0.0000 52192.6722 -109108.5437 299.9520 -161301.2159 -108747.3537 300.0205 -159.0814 -129.5987 761796.7750 17.3908 17.3185 PRESSURE: 3305800 -112.418 -67.0139 -267.51 -67.0133 -167.202 -207.035 -267.511 -207.034 26.8627 GPRESSURE: 3305800 -106.959 -77.0487 -263.924 -22.0631 -156.053 -148.516 -231.325 -73.0799 95.4253 PRESSAVG: 3305800 38.3927 -64.6383 -20.1822 -64.6383 -4.93095 -61.8254 -20.1822 -61.8254 1.09363 GPRESSAVG: 3305800 38.7494 -63.9036 -21.5452 -66.7074 -6.65043 -61.5869 -20.8647 -60.599 2.36534 TIMING: 3305800 CPU: 10514.3, 0.00315482/step Wall: 10514.3, 0.00315482/step, 1.48469 hours remaining, 240.027344 MB of memory in use. ENERGY: 3305800 3905.6604 20655.8010 14509.1017 239.5326 -203096.3161 2405.4204 0.0000 0.0000 52245.4272 -109135.3727 300.2552 -161380.7999 -108768.9265 300.1087 -84.2523 -55.8624 761174.0573 11.5185 11.4881 PRESSURE: 3306000 -28.2558 47.7146 17.5008 47.7151 150.595 0.563138 17.5006 0.562098 -118.063 GPRESSURE: 3306000 11.2197 -8.85212 0.64294 31.94 209.776 30.2771 -6.92073 -61.1848 -126.364 PRESSAVG: 3306000 -15.6022 -39.0501 -54.4486 -39.0501 34.3962 -27.8401 -54.4486 -27.8401 15.4658 GPRESSAVG: 3306000 -16.1635 -40.2353 -53.0483 -36.7159 34.3135 -27.2935 -54.1003 -28.4619 14.9103 TIMING: 3306000 CPU: 10515, 0.00314806/step Wall: 10515, 0.00314806/step, 1.48134 hours remaining, 240.027344 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: 3306000 4026.5311 20435.1809 14573.5871 236.1170 -203257.9942 2706.8689 0.0000 0.0000 52230.2463 -109049.4629 300.1679 -161279.7092 -108688.7331 299.9459 1.4255 31.5439 761329.1589 11.4200 11.0201 PRESSURE: 3306200 -322.214 -99.8564 -65.3071 -99.8556 -95.3585 -360.964 -65.3074 -360.964 -366.543 GPRESSURE: 3306200 -234.662 -138.324 39.5247 -34.2908 -87.6332 -375.515 -29.3373 -297.404 -365.933 PRESSAVG: 3306200 -64.9304 -47.903 -8.89736 -47.9029 85.691 21.1351 -8.89731 21.1351 15.1273 GPRESSAVG: 3306200 -64.2502 -47.369 -8.44994 -49.6142 86.091 20.6821 -7.57034 21.3506 13.593 TIMING: 3306200 CPU: 10515.6, 0.00314232/step Wall: 10515.6, 0.00314232/step, 1.47846 hours remaining, 240.027344 MB of memory in use. ENERGY: 3306200 4052.9194 20641.4433 14496.4052 234.6034 -202531.1316 2175.4725 0.0000 0.0000 51798.8171 -109131.4707 297.6885 -160930.2877 -108774.0852 300.0202 -261.3719 -229.4093 762241.5549 11.9626 11.8113 PRESSURE: 3306400 -375.875 -116.555 -63.0483 -116.555 -421.82 -185.252 -63.0484 -185.253 -576.714 GPRESSURE: 3306400 -278.857 -136.204 -21.3972 -89.2901 -421.666 -190.224 -17.7122 -105.717 -583.092 PRESSAVG: 3306400 -2.35897 -78.0017 47.8964 -78.0017 6.39849 4.5514 47.8964 4.55139 -20.2964 GPRESSAVG: 3306400 -0.989756 -76.408 45.9489 -77.4452 5.06378 4.90605 49.5856 5.17306 -20.2791 TIMING: 3306400 CPU: 10516.2, 0.00314081/step Wall: 10516.2, 0.00314081/step, 1.47757 hours remaining, 240.027344 MB of memory in use. ENERGY: 3306400 4004.5733 20622.5274 14458.1487 252.2335 -203236.0329 2206.8159 0.0000 0.0000 52618.8970 -109072.8371 302.4015 -161691.7341 -108687.7079 300.2147 -458.1363 -427.8716 761407.9825 -5.4190 -5.4017 PRESSURE: 3306600 13.2955 -29.0924 -145.311 -29.0935 -403.491 35.8633 -145.312 35.8628 -91.7498 GPRESSURE: 3306600 61.1574 -55.9594 -136.647 -29.1014 -310.821 -14.4122 -139.645 120.562 -137.252 PRESSAVG: 3306600 21.5043 -49.7616 26.015 -49.7617 -40.1872 66.2638 26.015 66.2638 13.6353 GPRESSAVG: 3306600 19.1307 -51.2023 27.6512 -51.0222 -37.2086 66.3703 23.0363 66.0598 12.4444 TIMING: 3306600 CPU: 10516.9, 0.00315081/step Wall: 10516.9, 0.00315081/step, 1.48211 hours remaining, 240.027344 MB of memory in use. ENERGY: 3306600 4026.4163 20551.1286 14487.9835 246.9122 -202890.4735 2352.2579 0.0000 0.0000 52322.9360 -108902.8391 300.7006 -161225.7751 -108539.7686 300.1869 -160.6483 -128.9716 761009.5629 -1.6825 -1.8778 PRESSURE: 3306800 -105.63 103.887 27.3831 103.887 90.2926 -19.1069 27.3835 -19.1055 -155.865 GPRESSURE: 3306800 -77.631 62.4047 93.103 124.866 134.188 -0.434454 15.4767 33.6886 -120.224 PRESSAVG: 3306800 -31.684 -25.5815 -11.4753 -25.5815 2.72574 40.1962 -11.4753 40.1962 2.13852 GPRESSAVG: 3306800 -30.6329 -25.9289 -13.5139 -25.7445 0.484549 40.2502 -11.3474 40.448 3.30226 TIMING: 3306800 CPU: 10517.5, 0.0031522/step Wall: 10517.5, 0.0031522/step, 1.48258 hours remaining, 240.027344 MB of memory in use. ENERGY: 3306800 4069.8409 20688.0573 14509.5070 257.5255 -203143.3163 2480.9719 0.0000 0.0000 52175.8984 -108961.5153 299.8556 -161137.4138 -108596.1077 300.4641 -57.0675 -21.2223 760360.7288 -8.9399 -8.9487 PRESSURE: 3307000 -301.09 55.5523 7.41686 55.5528 395.893 6.07526 7.41627 6.07578 -178.306 GPRESSURE: 3307000 -188.24 27.4743 48.122 4.88175 388.503 125.126 133.431 -12.8661 -188.349 PRESSAVG: 3307000 -44.8438 14.2004 -12.5257 14.2004 60.9072 1.18803 -12.5256 1.18797 -1.40678 GPRESSAVG: 3307000 -45.5826 15.5583 -11.5064 13.6219 62.5563 2.54943 -12.1444 -0.621164 -1.61347 TIMING: 3307000 CPU: 10518.1, 0.00312986/step Wall: 10518.1, 0.00312986/step, 1.4719 hours remaining, 240.027344 MB of memory in use. ENERGY: 3307000 4047.4094 20540.9758 14512.4114 230.6735 -203454.6697 2569.0215 0.0000 0.0000 52501.4371 -109052.7410 301.7265 -161554.1781 -108673.1661 299.9611 -27.8346 3.9712 759146.0871 4.8855 5.1201 PRESSURE: 3307200 -152.455 120.044 6.19245 120.043 -261.675 21.6004 6.19181 21.6013 -514.849 GPRESSURE: 3307200 -162.735 110.376 -59.8558 105.493 -189.028 32.9373 -9.61731 169.884 -466.286 PRESSAVG: 3307200 -49.3743 -46.8951 4.96548 -46.8951 23.3865 17.043 4.96543 17.043 -15.2673 GPRESSAVG: 3307200 -49.1282 -47.203 5.62245 -46.7124 23.6171 15.7073 5.65841 17.6046 -15.5047 TIMING: 3307200 CPU: 10518.7, 0.00313863/step Wall: 10518.7, 0.00313863/step, 1.47585 hours remaining, 240.027344 MB of memory in use. ENERGY: 3307200 4057.6881 20609.5571 14478.4155 220.9199 -202953.7320 2194.8517 0.0000 0.0000 52076.2925 -109316.0073 299.2832 -161392.2997 -108944.1813 300.0871 -309.6599 -272.6829 760009.8869 -13.7517 -13.6719 PRESSURE: 3307400 -128.046 -302.221 -70.646 -302.22 -7.68271 -258.247 -70.6455 -258.247 181.985 GPRESSURE: 3307400 -49.9491 -224.328 -45.8278 -117.608 53.9837 -192.808 -30.7961 -334.966 127.645 PRESSAVG: 3307400 -38.2906 45.3526 17.3285 45.3526 40.2217 -8.07292 17.3285 -8.07294 5.29822 GPRESSAVG: 3307400 -37.5862 43.4789 17.0191 48.0345 39.2487 -6.19129 16.6782 -9.00304 4.88599 TIMING: 3307400 CPU: 10519.4, 0.00315491/step Wall: 10519.4, 0.00315491/step, 1.48333 hours remaining, 240.027344 MB of memory in use. ENERGY: 3307400 4050.3262 20568.7592 14515.1912 240.4904 -203359.9677 2608.7464 0.0000 0.0000 52022.9704 -109353.4840 298.9767 -161376.4543 -108989.3544 299.7048 15.4187 43.8933 760353.4137 2.4098 2.1828 PRESSURE: 3307600 -455.82 -158.387 142.858 -158.387 412.424 -34.8649 142.858 -34.8651 48.1623 GPRESSURE: 3307600 -306.089 -245.593 127.335 -52.8712 301.126 -145.049 77.7517 52.6933 92.9872 PRESSAVG: 3307600 -55.5145 -16.1091 18.7474 -16.109 63.8434 -11.052 18.7474 -11.0519 -8.08496 GPRESSAVG: 3307600 -55.5789 -17.321 17.1846 -16.4479 63.1946 -11.0728 20.8312 -11.8615 -7.45882 TIMING: 3307600 CPU: 10520, 0.00314662/step Wall: 10520, 0.00314662/step, 1.47926 hours remaining, 240.027344 MB of memory in use. ENERGY: 3307600 4039.6363 20692.4864 14483.9145 254.3794 -203752.5293 2705.1796 0.0000 0.0000 52176.1313 -109400.8017 299.8569 -161576.9331 -109039.6844 299.9050 1.5885 29.3414 759831.2043 0.0813 0.0523 PRESSURE: 3307800 149.897 28.6803 -229.055 28.68 -224.334 50.2928 -229.055 50.2931 327.571 GPRESSURE: 3307800 214.939 153.922 -251.103 -40.5062 -63.5945 129.044 -240.11 -28.9511 182.785 PRESSAVG: 3307800 -40.3837 -44.7476 47.4951 -44.7476 -5.41154 16.0623 47.4951 16.0623 12.011 GPRESSAVG: 3307800 -41.7076 -42.5287 47.6257 -45.8934 -3.57187 15.9752 45.5509 17.031 11.5344 TIMING: 3307800 CPU: 10520.6, 0.00312674/step Wall: 10520.6, 0.00312674/step, 1.46974 hours remaining, 240.027344 MB of memory in use. ENERGY: 3307800 4011.2834 20609.5304 14432.9587 250.4967 -203312.5250 2498.8042 0.0000 0.0000 52045.2352 -109464.2165 299.1047 -161509.4517 -109097.5947 299.6708 84.3778 111.3766 758206.8489 -11.2614 -11.2484 PRESSURE: 3308000 -228.754 -103.529 -86.7541 -103.529 -55.6807 -100.436 -86.7543 -100.436 -218.805 GPRESSURE: 3308000 -328.505 -109.392 -73.9973 -134.669 -36.3635 -63.8241 -19.6969 -130.824 -77.0339 PRESSAVG: 3308000 30.8925 -4.92505 40.3885 -4.92504 26.0236 7.74026 40.3884 7.74023 13.3081 GPRESSAVG: 3308000 30.0717 -4.38725 42.3484 -5.25368 24.6403 7.11266 40.1004 7.41256 14.8474 TIMING: 3308000 CPU: 10521.3, 0.00314981/step Wall: 10521.3, 0.00314981/step, 1.48041 hours remaining, 240.027344 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: 3308000 3983.2143 20698.4426 14434.8007 256.3575 -202970.1716 2077.0492 0.0000 0.0000 52123.3521 -109396.9553 299.5536 -161520.3074 -109031.8445 299.3702 -167.7466 -147.3009 759253.6052 23.4081 23.1865 PRESSURE: 3308200 -202.259 5.61252 -81.1947 5.61192 -200.963 -35.2789 -81.1948 -35.2784 16.7942 GPRESSURE: 3308200 -136.066 11.1012 -70.9771 24.9173 -124.228 -62.4352 -133.117 -120.016 -22.6064 PRESSAVG: 3308200 -2.68921 -14.6598 -21.4651 -14.6597 -34.8486 -19.6622 -21.4651 -19.6623 16.4504 GPRESSAVG: 3308200 -1.94426 -15.9834 -23.8078 -13.7293 -34.7778 -20.8162 -21.6785 -17.378 15.3733 TIMING: 3308200 CPU: 10521.9, 0.00314365/step Wall: 10521.9, 0.00314365/step, 1.47734 hours remaining, 240.027344 MB of memory in use. ENERGY: 3308200 4015.8784 20713.9368 14468.6303 255.6699 -203735.6259 2631.5330 0.0000 0.0000 52166.6131 -109483.3644 299.8022 -161649.9776 -109124.4397 299.4844 -128.8092 -94.3000 758839.1046 -7.0291 -7.1163 LDB: ============= START OF LOAD BALANCING ============== 10534.3 LDB: ============== END OF LOAD BALANCING =============== 10534.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10534.3 LDB: ============= START OF LOAD BALANCING ============== 10534.6 LDB: Largest compute 7070 load 0.038657 is 19.8% of average load 0.195381 LDB: Average compute 0.004391 is 2.2% of average load 0.195381 LDB: TIME 10534.7 LOAD: AVG 0.195381 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 10534.7 LOAD: AVG 0.195381 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 10534.7 LOAD: AVG 0.195381 MAX 0.213687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 10534.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10534.7 PRESSURE: 3308400 -159.489 -0.203416 289.843 -0.203596 163.127 62.9041 289.843 62.9041 422.375 GPRESSURE: 3308400 -122.192 43.0469 223.078 -50.1491 170.307 61.3455 255.546 39.9599 453.663 PRESSAVG: 3308400 -49.3211 65.6627 -46.6666 65.6627 23.2223 -8.44023 -46.6666 -8.44019 4.0697 GPRESSAVG: 3308400 -48.7771 66.86 -46.2649 65.2371 23.2739 -7.10347 -45.7699 -11.5969 3.28287 TIMING: 3308400 CPU: 10522.5, 0.00321958/step Wall: 10522.5, 0.00321958/step, 1.51285 hours remaining, 238.812500 MB of memory in use. ENERGY: 3308400 4025.5997 20793.3370 14437.4961 258.7756 -202968.3036 2350.3482 0.0000 0.0000 52004.4909 -109098.2562 298.8705 -161102.7470 -108736.0050 300.0884 142.0042 167.2589 760058.0910 -7.3430 -7.4068 PRESSURE: 3308600 -135.825 -269.31 -256.388 -269.31 -248.461 -197.134 -256.389 -197.136 53.8447 GPRESSURE: 3308600 -62.7811 -274.101 -236.137 -224.435 -265.841 -211.84 -332.665 -129.718 59.1552 PRESSAVG: 3308600 -62.3577 -32.6797 -45.4674 -32.6797 48.803 -20.6632 -45.4675 -20.6632 8.73375 GPRESSAVG: 3308600 -63.5976 -33.3189 -44.135 -32.6437 49.3249 -20.6664 -45.8782 -20.686 9.69002 TIMING: 3308600 CPU: 10523.2, 0.00314838/step Wall: 10523.2, 0.00314838/step, 1.47921 hours remaining, 238.812500 MB of memory in use. ENERGY: 3308600 3981.3012 20669.3165 14408.3626 236.0656 -202970.9351 2315.8410 0.0000 0.0000 52107.4872 -109252.5609 299.4624 -161360.0482 -108897.6859 300.0298 -110.1471 -89.8224 760529.1827 -1.6070 -1.5275 PRESSURE: 3308800 -34.3161 -115.717 -74.3868 -115.717 83.2739 32.1156 -74.3872 32.1155 -206.558 GPRESSURE: 3308800 -13.3711 -102.116 -57.3019 -156.52 48.0604 62.6996 -18.887 16.9124 -113.289 PRESSAVG: 3308800 -9.0672 49.8959 4.53832 49.8959 28.4484 -17.9831 4.53829 -17.9831 16.3141 GPRESSAVG: 3308800 -8.38723 50.2079 4.7675 50.7462 26.8509 -17.2854 3.34098 -18.154 17.04 TIMING: 3308800 CPU: 10523.8, 0.00313401/step Wall: 10523.8, 0.00313401/step, 1.47229 hours remaining, 238.812500 MB of memory in use. ENERGY: 3308800 4120.4834 20464.9155 14455.8046 232.1836 -203296.7403 2515.3143 0.0000 0.0000 52188.2077 -109319.8311 299.9263 -161508.0388 -108958.1080 299.6192 -52.5333 -26.2001 759665.0322 11.8984 11.8345 PRESSURE: 3309000 15.4003 -30.9845 41.6411 -30.9854 -89.8622 -58.9353 41.6411 -58.9353 170.359 GPRESSURE: 3309000 104.66 26.3027 76.0296 40.7821 -43.8064 -74.0914 130.92 -42.5326 111.184 PRESSAVG: 3309000 -48.8914 31.8158 -3.07707 31.8158 1.91093 -50.667 -3.0771 -50.667 -24.9297 GPRESSAVG: 3309000 -49.2218 31.4865 -3.26264 30.4854 3.74757 -49.9327 -2.42485 -52.2239 -26.3488 TIMING: 3309000 CPU: 10524.4, 0.00315049/step Wall: 10524.4, 0.00315049/step, 1.47986 hours remaining, 238.812500 MB of memory in use. ENERGY: 3309000 3931.0040 20613.4537 14481.1084 253.1666 -203324.0539 2574.7386 0.0000 0.0000 51983.9355 -109486.6472 298.7524 -161470.5827 -109126.0808 299.5531 31.9658 57.3459 761536.4666 -23.9700 -23.9410 PRESSURE: 3309200 -145.626 -46.566 -1.50322 -46.5647 -177.183 122.585 -1.50287 122.585 425.991 GPRESSURE: 3309200 -104.601 -160.603 -7.28492 -15.3261 -178.965 149.267 -143.12 180.562 463.987 PRESSAVG: 3309200 12.5696 39.217 52.6737 39.217 -19.7577 -68.3509 52.6736 -68.3508 20.7966 GPRESSAVG: 3309200 13.2327 41.4105 52.6063 37.7617 -20.8593 -70.3658 53.788 -65.9668 20.9849 TIMING: 3309200 CPU: 10525, 0.00315629/step Wall: 10525, 0.00315629/step, 1.4824 hours remaining, 238.812500 MB of memory in use. ENERGY: 3309200 4049.8199 20526.1727 14499.3753 259.8300 -203686.0352 2843.3115 0.0000 0.0000 52050.6270 -109456.8988 299.1357 -161507.5258 -109090.0814 299.4635 34.3942 60.1404 761974.0568 4.5362 4.4528 PRESSURE: 3309400 -8.50728 -165.745 -109.888 -165.744 29.7709 -81.4199 -109.887 -81.4196 61.6607 GPRESSURE: 3309400 -36.0752 -158.213 -74.2823 -239.77 122.219 -169.595 -119.204 -73.9904 63.3928 PRESSAVG: 3309400 -43.7753 15.057 -20.8341 15.057 -35.5331 -58.426 -20.8342 -58.426 -5.38831 GPRESSAVG: 3309400 -45.3138 11.4141 -22.2166 18.0255 -35.1913 -57.1557 -20.5894 -58.6425 -5.04066 TIMING: 3309400 CPU: 10525.7, 0.00313917/step Wall: 10525.7, 0.00313917/step, 1.47419 hours remaining, 238.812500 MB of memory in use. ENERGY: 3309400 4015.9480 20513.4773 14508.8847 270.1729 -204332.1528 3103.4586 0.0000 0.0000 52375.6231 -109544.5882 301.0034 -161920.2113 -109174.7834 299.0917 27.6415 49.8455 761899.4658 -28.2323 -28.5153 PRESSURE: 3309600 9.23503 156.409 -60.0958 156.409 -358.352 187.394 -60.0953 187.393 225.824 GPRESSURE: 3309600 44.2129 149.668 -32.8906 216.138 -326.467 232.392 13.3843 180.082 255.917 PRESSAVG: 3309600 5.09707 50.0138 17.5291 50.0138 15.4998 -14.0108 17.5291 -14.0108 -3.55972 GPRESSAVG: 3309600 5.40917 50.114 18.7789 49.2968 15.0109 -14.1264 16.5188 -14.4108 -3.56355 TIMING: 3309600 CPU: 10526.3, 0.00313997/step Wall: 10526.3, 0.00313997/step, 1.47439 hours remaining, 238.812500 MB of memory in use. ENERGY: 3309600 3940.1301 20513.5841 14473.6713 251.2820 -203321.1773 2620.4299 0.0000 0.0000 51975.2533 -109546.8267 298.7025 -161522.0799 -109182.2214 299.0401 -41.0976 -8.7789 761856.2098 5.6791 5.6188 PRESSURE: 3309800 109.054 16.5939 -208.239 16.5938 76.6263 -79.9026 -208.239 -79.9029 -287.05 GPRESSURE: 3309800 163.002 14.6621 -152.396 -62.0631 121.489 -96.8893 -204.719 -116.231 -293.592 PRESSAVG: 3309800 -17.6912 26.9922 -17.7983 26.9921 55.5581 -13.677 -17.7983 -13.6769 16.6922 GPRESSAVG: 3309800 -17.6175 28.8444 -17.9151 24.2793 56.6814 -14.7306 -18.148 -14.5552 15.5536 TIMING: 3309800 CPU: 10526.9, 0.0031475/step Wall: 10526.9, 0.0031475/step, 1.47775 hours remaining, 238.812500 MB of memory in use. ENERGY: 3309800 4066.6309 20356.1070 14452.5039 239.1590 -203397.8832 2694.1388 0.0000 0.0000 51879.5672 -109709.7762 298.1526 -161589.3435 -109342.1512 299.2204 -33.7899 -3.0335 760754.3819 18.1864 18.2059 PRESSURE: 3310000 -7.35278 95.3103 45.0489 95.311 187.338 93.1452 45.0487 93.1449 201.747 GPRESSURE: 3310000 8.95081 174.565 -53.2469 110.86 190.948 54.056 -25.6302 -75.5409 262.78 PRESSAVG: 3310000 25.3302 55.3915 11.2302 55.3916 26.0323 -26.4002 11.2302 -26.4002 14.6686 GPRESSAVG: 3310000 25.819 53.7263 10.0708 57.8223 25.9111 -25.5698 12.1046 -26.7476 14.6308 TIMING: 3310000 CPU: 10527.6, 0.00313331/step Wall: 10527.6, 0.00313331/step, 1.47092 hours remaining, 238.812500 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: 3310000 3983.1242 20499.2615 14370.0352 258.3879 -203520.7061 2567.5410 0.0000 0.0000 52108.2944 -109734.0618 299.4671 -161842.3562 -109379.2826 298.7892 127.2442 154.2260 760516.7201 22.0103 22.1203 PRESSURE: 3310200 142.559 -356.406 -62.5595 -356.407 65.8267 -104.536 -62.5604 -104.537 323.22 GPRESSURE: 3310200 191.376 -282.467 -123.426 -362.027 97.6731 -42.2774 -86.7647 -126.954 331.65 PRESSAVG: 3310200 -46.882 11.108 21.7642 11.108 48.497 24.7482 21.7643 24.7483 13.4252 GPRESSAVG: 3310200 -47.7568 12.2574 22.6399 11.3434 49.3447 22.1152 21.5665 24.746 13.1913 TIMING: 3310200 CPU: 10528.2, 0.00316814/step Wall: 10528.2, 0.00316814/step, 1.48709 hours remaining, 238.812500 MB of memory in use. ENERGY: 3310200 3977.2418 20329.8331 14461.6965 262.5291 -203327.2067 2484.3577 0.0000 0.0000 51838.0612 -109973.4873 297.9140 -161811.5485 -109605.7644 298.8487 177.2020 206.8998 760488.6059 5.0134 4.9264 PRESSURE: 3310400 266.632 21.3122 -148.1 21.31 -177.325 -402.091 -148.1 -402.091 -65.1872 GPRESSURE: 3310400 142.201 69.284 -202.752 15.4861 -24.0176 -358.511 -123.122 -416.135 -4.96071 PRESSAVG: 3310400 -12.3876 16.9791 -53.4578 16.9791 21.1096 -55.0732 -53.4578 -55.0732 -13.5394 GPRESSAVG: 3310400 -12.76 16.6518 -53.535 16.1413 19.3544 -52.3453 -51.7544 -53.9275 -11.4488 TIMING: 3310400 CPU: 10528.8, 0.00313929/step Wall: 10528.8, 0.00313929/step, 1.47337 hours remaining, 238.812500 MB of memory in use. ENERGY: 3310400 3865.4602 20453.0832 14460.8052 250.9254 -203241.9380 2558.0344 0.0000 0.0000 51743.1797 -109910.4499 297.3688 -161653.6296 -109550.7707 298.3725 8.0397 37.7409 760244.8558 -1.6058 -1.6181 PRESSURE: 3310600 -47.443 91.2292 99.0645 91.2286 -336.504 -46.1599 99.0634 -46.16 -392.345 GPRESSURE: 3310600 -14.9184 51.5926 31.7809 92.2801 -222.566 -156.252 51.8767 -55.9349 -437.541 PRESSAVG: 3310600 -25.9721 34.6057 -44.6979 34.6056 -7.84 -15.2883 -44.6979 -15.2883 -8.95118 GPRESSAVG: 3310600 -26.4957 35.5765 -44.8143 35.2203 -6.13127 -18.4064 -45.6356 -14.8917 -10.4969 TIMING: 3310600 CPU: 10529.4, 0.00312681/step Wall: 10529.4, 0.00312681/step, 1.46734 hours remaining, 238.812500 MB of memory in use. ENERGY: 3310600 3952.0472 20254.2717 14443.5548 269.3291 -203353.5190 2411.4495 0.0000 0.0000 51925.0026 -110097.8640 298.4137 -162022.8667 -109736.1710 298.0541 -258.7643 -225.0084 759258.8422 -14.2544 -14.3746 PRESSURE: 3310800 -390.899 23.6404 -14.7489 23.6406 -112.328 -60.9308 -14.7492 -60.9308 30.1498 GPRESSURE: 3310800 -282.029 141.924 -29.9209 8.71362 -129.937 -114.366 20.52 22.1042 43.9764 PRESSAVG: 3310800 -15.9054 9.15264 6.55502 9.15265 14.1663 -22.2516 6.55498 -22.2516 -33.6804 GPRESSAVG: 3310800 -14.7815 7.80886 6.00319 8.98168 12.9046 -19.3405 6.80888 -23.5627 -33.7563 TIMING: 3310800 CPU: 10530.1, 0.00313077/step Wall: 10530.1, 0.00313077/step, 1.46903 hours remaining, 238.812500 MB of memory in use. ENERGY: 3310800 3942.9437 20213.6759 14372.2118 239.6986 -202795.4225 1987.7598 0.0000 0.0000 51921.9237 -110117.2091 298.3960 -162039.1327 -109754.2281 297.1477 -157.6925 -122.6633 759134.8174 -11.8065 -11.8777 PRESSURE: 3311000 -294.469 92.5491 -37.0522 92.549 -230.619 -200.464 -37.0522 -200.465 -121.991 GPRESSURE: 3311000 -177.06 46.5033 -23.3306 9.98962 -183.071 -188.3 -24.2764 -292.626 -203.933 PRESSAVG: 3311000 3.44536 57.9061 -27.0047 57.9062 -34.6332 -32.2062 -27.0048 -32.2062 10.0389 GPRESSAVG: 3311000 3.60239 56.5885 -25.5275 58.2703 -35.1705 -32.4999 -26.8194 -30.7981 10.3207 TIMING: 3311000 CPU: 10530.7, 0.00313962/step Wall: 10530.7, 0.00313962/step, 1.47301 hours remaining, 238.812500 MB of memory in use. ENERGY: 3311000 4014.5892 20436.3775 14406.4198 250.1648 -203054.6092 2256.7093 0.0000 0.0000 51822.2972 -109868.0515 297.8235 -161690.3486 -109497.0019 297.9165 -215.6929 -188.0214 760402.7604 -7.0497 -7.0825 PRESSURE: 3311200 -292.035 -24.1763 256.122 -24.1765 321.692 17.2143 256.123 17.2151 161.256 GPRESSURE: 3311200 -207.595 -81.4964 255.874 -205.517 305.654 77.1448 167.867 105.356 174.094 PRESSAVG: 3311200 14.3365 26.0704 -19.0163 26.0704 -12.65 16.7386 -19.0163 16.7387 -2.87626 GPRESSAVG: 3311200 14.3999 24.6538 -19.396 26.5092 -12.6477 15.6138 -19.1128 15.035 -2.62879 TIMING: 3311200 CPU: 10531.3, 0.00311877/step Wall: 10531.3, 0.00311877/step, 1.46305 hours remaining, 238.812500 MB of memory in use. ENERGY: 3311200 4015.0152 20423.2095 14391.7393 240.2152 -203427.2820 2545.0926 0.0000 0.0000 51975.9383 -109836.0719 298.7064 -161812.0102 -109474.3989 298.7280 63.6377 90.7175 759157.2166 -0.3966 -0.2922 PRESSURE: 3311400 -57.5129 -117.449 248.465 -117.448 -133.341 -74.3585 248.465 -74.359 250.245 GPRESSURE: 3311400 -58.2358 -181.067 81.6843 35.6066 -70.5201 -12.5108 214.271 -48.6666 278.487 PRESSAVG: 3311400 -24.0936 16.4489 6.86076 16.4489 19.8812 1.79869 6.86073 1.79864 11.3501 GPRESSAVG: 3311400 -24.2653 17.6576 4.82196 17.9241 19.6249 2.32393 7.32533 3.4876 11.4242 TIMING: 3311400 CPU: 10531.9, 0.00312171/step Wall: 10531.9, 0.00312171/step, 1.46425 hours remaining, 238.812500 MB of memory in use. ENERGY: 3311400 3998.7859 20411.1090 14402.9262 256.8193 -203392.4469 2476.4986 0.0000 0.0000 52078.3859 -109767.9221 299.2952 -161846.3080 -109407.1076 298.6526 19.7969 49.9103 757550.2921 2.3792 2.2612 PRESSURE: 3311600 57.4586 100.93 -286.446 100.931 -229.045 100.6 -286.446 100.599 200.008 GPRESSURE: 3311600 187.361 79.814 -240.715 -51.9329 -262.637 107.792 -223.74 63.8083 192.552 PRESSAVG: 3311600 -7.43044 -16.2488 -13.9751 -16.2488 17.2168 -31.1408 -13.9751 -31.1408 16.6853 GPRESSAVG: 3311600 -8.17337 -14.3815 -11.6039 -18.2622 17.8729 -30.827 -15.8058 -30.9926 17.1958 TIMING: 3311600 CPU: 10532.6, 0.00313782/step Wall: 10532.6, 0.00313782/step, 1.47164 hours remaining, 238.812500 MB of memory in use. ENERGY: 3311600 3980.8797 20543.3922 14407.0303 245.4458 -203431.2852 2491.0221 0.0000 0.0000 51822.8434 -109940.6717 297.8266 -161763.5151 -109582.7661 298.1880 9.4739 39.0921 759209.5548 8.8239 8.9651 PRESSURE: 3311800 -138.747 62.5596 19.4128 62.559 339.58 -187.889 19.4132 -187.888 81.3011 GPRESSURE: 3311800 -21.6763 13.0741 39.1269 70.539 248.263 -174.678 149.411 -239.243 136.345 PRESSAVG: 3311800 -25.4179 -18.7203 -37.4333 -18.7203 52.1986 -19.5884 -37.4333 -19.5883 35.6688 GPRESSAVG: 3311800 -24.642 -19.529 -37.9519 -17.7508 51.2017 -19.4724 -36.2845 -23.2192 36.2847 TIMING: 3311800 CPU: 10533.2, 0.00313321/step Wall: 10533.2, 0.00313321/step, 1.4693 hours remaining, 238.812500 MB of memory in use. ENERGY: 3311800 4023.0775 20485.9680 14474.9461 241.7329 -203636.1175 2573.6852 0.0000 0.0000 52109.7915 -109726.9163 299.4757 -161836.7078 -109377.7229 298.5231 94.0448 120.9773 758236.4893 20.8165 20.9482 PRESSURE: 3312000 -44.3971 160.687 53.711 160.688 -64.9407 -42.1447 53.7099 -42.1439 14.1788 GPRESSURE: 3312000 6.98319 184.628 27.8811 72.7011 -75.2527 -97.148 59.5942 -37.4878 71.6927 PRESSAVG: 3312000 7.52672 -67.565 -2.32218 -67.5651 43.5794 -48.245 -2.32212 -48.2449 -3.02867 GPRESSAVG: 3312000 8.29993 -68.3672 -3.77415 -68.3909 43.721 -49.2952 -2.29596 -45.7176 -4.62546 TIMING: 3312000 CPU: 10533.8, 0.00314599/step Wall: 10533.8, 0.00314599/step, 1.47512 hours remaining, 238.812500 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: 3312000 3965.0679 20604.4455 14485.7634 246.1205 -203435.8204 2463.2046 0.0000 0.0000 51935.3374 -109735.8810 298.4731 -161671.2184 -109388.0068 298.8457 -31.7197 1.1411 760934.9646 16.0258 15.7985 PRESSURE: 3312200 231.087 -57.8072 26.9207 -57.807 138.176 -16.4274 26.9198 -16.4279 148.323 GPRESSURE: 3312200 255.303 -51.2662 31.4601 43.6631 147.879 -64.7975 -21.4716 14.9112 226.34 PRESSAVG: 3312200 -25.7865 -20.292 -7.23749 -20.292 -8.90453 19.4064 -7.23751 19.4065 3.36285 GPRESSAVG: 3312200 -25.8379 -19.7507 -5.65848 -21.5791 -8.79679 19.4036 -9.20051 18.2613 3.41712 TIMING: 3312200 CPU: 10534.5, 0.00314557/step Wall: 10534.5, 0.00314557/step, 1.47475 hours remaining, 238.812500 MB of memory in use. ENERGY: 3312200 4000.5332 20530.0451 14420.0439 240.9406 -204301.0732 3077.1065 0.0000 0.0000 52132.7165 -109899.6873 299.6074 -162032.4038 -109534.9679 298.6506 172.5288 209.8405 760577.4048 -10.4427 -10.4058 LDB: ============= START OF LOAD BALANCING ============== 10546.9 LDB: ============== END OF LOAD BALANCING =============== 10546.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10546.9 LDB: ============= START OF LOAD BALANCING ============== 10547.2 LDB: Largest compute 7070 load 0.034726 is 17.8% of average load 0.195483 LDB: Average compute 0.004358 is 2.2% of average load 0.195483 LDB: TIME 10547.2 LOAD: AVG 0.195483 MAX 0.213487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 10547.2 LOAD: AVG 0.195483 MAX 0.213487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: TIME 10547.2 LOAD: AVG 0.195483 MAX 0.213487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: ============== END OF LOAD BALANCING =============== 10547.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10547.2 PRESSURE: 3312400 -195.421 -46.9337 -17.1866 -46.9342 -7.72351 432.364 -17.1871 432.365 -29.5139 GPRESSURE: 3312400 -60.2444 10.8347 106.595 127.229 -7.12473 428 -33.4005 435.494 -69.9696 PRESSAVG: 3312400 -17.8013 14.5238 -13.9095 14.5237 4.85583 -21.4109 -13.9095 -21.4108 7.87098 GPRESSAVG: 3312400 -17.7552 14.6528 -13.8497 15.7601 4.68802 -19.7437 -11.7812 -21.3514 8.96493 TIMING: 3312400 CPU: 10535.1, 0.00319823/step Wall: 10535.1, 0.00319823/step, 1.49926 hours remaining, 241.832031 MB of memory in use. ENERGY: 3312400 4017.2894 20458.3281 14410.1957 241.1275 -203564.0572 2555.6736 0.0000 0.0000 51973.9856 -109907.4572 298.6952 -161881.4428 -109541.7263 298.7764 -77.5527 -45.7796 760604.9312 -1.6915 -1.3674 PRESSURE: 3312600 -185.562 -48.6849 -164.987 -48.6856 24.0247 230.182 -164.987 230.183 -116.226 GPRESSURE: 3312600 -120.364 -59.1128 -217.956 64.5615 4.95793 302.452 -97.5118 249.686 -91.6868 PRESSAVG: 3312600 -24.0019 -1.11253 -24.7561 -1.11257 -1.47271 34.4027 -24.756 34.4027 -2.38747 GPRESSAVG: 3312600 -24.9682 -1.00686 -25.5107 -1.88385 -0.321905 35.633 -26.388 34.2637 -2.56204 TIMING: 3312600 CPU: 10535.7, 0.00315739/step Wall: 10535.7, 0.00315739/step, 1.47994 hours remaining, 241.832031 MB of memory in use. ENERGY: 3312600 3952.3506 20647.1191 14497.0265 230.3879 -203170.3953 2196.2989 0.0000 0.0000 51807.7721 -109839.4404 297.7400 -161647.2124 -109487.0508 298.7098 -92.5878 -69.0308 760876.6795 -9.2874 -9.2841 PRESSURE: 3312800 98.511 -285.635 -144.705 -285.635 -161.54 -5.64502 -144.706 -5.6446 -465.331 GPRESSURE: 3312800 153.918 -189.467 -149.605 -238.214 -151.234 -8.20617 -305.936 172.895 -427.889 PRESSAVG: 3312800 76.0324 -11.6787 -7.74952 -11.6787 -23.3475 -22.3938 -7.7495 -22.394 7.56504 GPRESSAVG: 3312800 75.3342 -11.0019 -6.86163 -11.7189 -22.9225 -23.772 -8.18337 -19.6493 7.55489 TIMING: 3312800 CPU: 10536.4, 0.00318122/step Wall: 10536.4, 0.00318122/step, 1.49093 hours remaining, 241.832031 MB of memory in use. ENERGY: 3312800 4044.7636 20467.9907 14414.0714 246.6077 -203272.3088 2395.0862 0.0000 0.0000 51977.1571 -109726.6320 298.7134 -161703.7891 -109368.8292 298.7934 -176.1201 -141.7354 759618.0025 20.0833 19.9889 PRESSURE: 3313000 -105.077 -15.7421 -187.203 -15.7411 -223.709 -149.056 -187.202 -149.055 23.9203 GPRESSURE: 3313000 -65.4223 -57.948 -137.643 -53.2701 -144.339 -180.017 -111.911 -116.513 -20.0113 PRESSAVG: 3313000 8.63759 -19.6737 -27.346 -19.6737 23.5843 -12.5313 -27.346 -12.5312 -19.5802 GPRESSAVG: 3313000 8.13165 -20.2845 -26.6691 -20.3204 23.4899 -13.5446 -27.2748 -12.6787 -18.8825 TIMING: 3313000 CPU: 10537, 0.00319051/step Wall: 10537, 0.00319051/step, 1.49511 hours remaining, 241.832031 MB of memory in use. ENERGY: 3313000 4044.8549 20613.2286 14421.2144 227.2777 -203504.1436 2469.3593 0.0000 0.0000 52092.0072 -109636.2016 299.3735 -161728.2088 -109268.3156 299.4347 -101.6217 -76.5908 759528.1126 4.2139 4.2464 PRESSURE: 3313200 -10.0986 -34.2596 188.814 -34.2595 -1.08499 -158.432 188.814 -158.432 229.957 GPRESSURE: 3313200 48.0751 -112.004 117.103 -59.1949 -41.1258 -140.393 70.0496 -71.6506 280.426 PRESSAVG: 3313200 34.5736 -7.11132 -37.1495 -7.11135 -32.6629 -22.8114 -37.1494 -22.8114 -6.11857 GPRESSAVG: 3313200 35.6409 -6.45487 -37.2821 -7.09624 -33.3985 -22.3039 -36.0462 -24.6761 -5.86776 TIMING: 3313200 CPU: 10537.6, 0.00315586/step Wall: 10537.6, 0.00315586/step, 1.47869 hours remaining, 241.832031 MB of memory in use. ENERGY: 3313200 4068.1499 20613.4057 14418.4647 246.1165 -203795.2955 2851.3049 0.0000 0.0000 51762.4254 -109835.4285 297.4794 -161597.8539 -109473.3528 299.2665 72.9246 95.7918 760112.9708 -1.4026 -1.2085 PRESSURE: 3313400 -251.552 140.188 -155.391 140.187 -338.69 51.3964 -155.391 51.3969 37.2043 GPRESSURE: 3313400 -202.842 224.617 -124.702 116.463 -334.813 66.3115 -104.217 183.294 63.8489 PRESSAVG: 3313400 11.3019 37.8399 -45.0401 37.8399 -22.7843 0.271302 -45.0401 0.271262 4.59699 GPRESSAVG: 3313400 10.5788 40.2036 -45.931 37.4087 -22.4218 0.649354 -45.9455 0.63355 5.49032 TIMING: 3313400 CPU: 10538.3, 0.0031663/step Wall: 10538.3, 0.0031663/step, 1.48341 hours remaining, 241.832031 MB of memory in use. ENERGY: 3313400 3956.8299 20643.7882 14436.8601 257.7959 -203516.6544 2488.7690 0.0000 0.0000 51993.5184 -109739.0928 298.8075 -161732.6113 -109374.1756 298.7477 -184.3458 -157.9355 759230.7769 -2.2952 -2.1176 PRESSURE: 3313600 -367.043 94.4335 -175.408 94.4341 -469.532 -85.4496 -175.408 -85.4503 -65.1272 GPRESSURE: 3313600 -331.363 100.08 -76.0753 142.458 -432.588 -38.5138 -225.946 -227.505 -55.6745 PRESSAVG: 3313600 14.9141 -3.43488 -30.7212 -3.43486 -35.6224 -76.4084 -30.7212 -76.4084 17.3081 GPRESSAVG: 3313600 16.7 -5.82947 -30.1858 -0.626553 -34.848 -76.9533 -30.5264 -75.7731 15.2349 TIMING: 3313600 CPU: 10538.9, 0.00317717/step Wall: 10538.9, 0.00317717/step, 1.48833 hours remaining, 241.832031 MB of memory in use. ENERGY: 3313600 4044.1272 20525.7380 14440.9278 232.8109 -203170.9741 2200.4028 0.0000 0.0000 52212.8804 -109514.0870 300.0681 -161726.9674 -109139.9952 299.0921 -300.5675 -273.2087 761148.4647 -1.1334 -0.9710 PRESSURE: 3313800 -433.277 -73.3914 110.743 -73.3919 -281.927 -229.801 110.742 -229.8 132.546 GPRESSURE: 3313800 -369.73 -11.1509 121.193 -55.9343 -268.901 -239.051 108.184 -157.888 148.175 PRESSAVG: 3313800 -8.63508 29.1755 -12.216 29.1756 -17.6903 -14.8548 -12.2161 -14.8548 24.72 GPRESSAVG: 3313800 -8.06311 30.7845 -12.4882 27.724 -18.9421 -15.3788 -11.4075 -16.0253 24.9999 TIMING: 3313800 CPU: 10539.5, 0.00315166/step Wall: 10539.5, 0.00315166/step, 1.4762 hours remaining, 241.832031 MB of memory in use. ENERGY: 3313800 4051.2623 20555.3154 14452.9476 249.7117 -202729.4576 2051.1118 0.0000 0.0000 51856.6949 -109512.4139 298.0211 -161369.1088 -109150.0967 299.1104 -194.2191 -163.4851 760065.2712 -0.5351 -0.6685 PRESSURE: 3314000 -114.728 204.694 -19.7262 204.694 112.308 -166.389 -19.7259 -166.389 420.72 GPRESSURE: 3314000 -65.891 117.084 -67.2405 180.79 172.375 -172.643 6.06285 -50.4689 422.991 PRESSAVG: 3314000 -0.342419 15.9051 -18.4564 15.9051 -11.2917 62.1535 -18.4564 62.1535 -3.98745 GPRESSAVG: 3314000 -2.00883 13.2475 -18.4685 17.7775 -10.5058 63.5185 -19.3661 63.7441 -3.38811 TIMING: 3314000 CPU: 10540.2, 0.0031569/step Wall: 10540.2, 0.0031569/step, 1.47848 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3314000 3979.7192 20591.6088 14450.8970 225.8689 -203374.6446 2474.5663 0.0000 0.0000 52061.9076 -109590.0768 299.2005 -161651.9844 -109217.6619 299.2015 139.4336 176.4917 759718.5232 -5.2072 -5.3009 PRESSURE: 3314200 -46.9325 2.47745 98.5957 2.47742 153.258 -201.177 98.5954 -201.178 33.883 GPRESSURE: 3314200 41.1102 18.8886 114.909 -62.2333 227.761 -210.436 -51.5239 -111.277 -54.3088 PRESSAVG: 3314200 52.0093 64.8323 -67.3786 64.8322 -32.8091 -24.5343 -67.3785 -24.5343 -0.553369 GPRESSAVG: 3314200 52.9974 65.9158 -66.9938 64.6658 -33.0206 -26.7308 -66.799 -26.3704 -1.24612 TIMING: 3314200 CPU: 10540.8, 0.0031578/step Wall: 10540.8, 0.0031578/step, 1.47873 hours remaining, 241.832031 MB of memory in use. ENERGY: 3314200 3996.2862 20537.0642 14458.6710 253.5935 -203763.1279 2731.5348 0.0000 0.0000 52142.5478 -109643.4303 299.6639 -161785.9781 -109285.8409 299.1268 46.7363 71.5209 760107.6394 6.2156 6.2436 PRESSURE: 3314400 -189.463 50.5795 -10.8058 50.579 -114.307 -255.331 -10.8054 -255.332 -4.68033 GPRESSURE: 3314400 -230.769 27.5855 -23.8388 73.0334 -72.2182 -315.195 9.88376 -189.338 68.4606 PRESSAVG: 3314400 -25.1014 81.1939 6.40733 81.1938 45.7888 -13.1361 6.40731 -13.1361 4.55278 GPRESSAVG: 3314400 -25.5938 82.416 6.54544 80.5965 45.535 -12.0538 4.91729 -11.6609 5.44035 TIMING: 3314400 CPU: 10541.4, 0.00316689/step Wall: 10541.4, 0.00316689/step, 1.48281 hours remaining, 241.832031 MB of memory in use. ENERGY: 3314400 3940.3901 20604.2628 14445.0313 252.9370 -203458.1138 2682.2104 0.0000 0.0000 51914.7144 -109618.5679 298.3546 -161533.2823 -109253.5273 299.1345 -102.8169 -78.1754 762080.9803 8.4134 8.4605 PRESSURE: 3314600 -108.523 93.3154 162.587 93.3147 180.794 126.558 162.587 126.559 335.389 GPRESSURE: 3314600 -82.3683 133.031 216.134 151.079 177.157 43.0143 118.222 145.564 375.658 PRESSAVG: 3314600 -69.5149 49.712 58.7388 49.712 20.9023 5.17268 58.7389 5.17269 16.3366 GPRESSAVG: 3314600 -71.1467 47.7972 58.6151 49.845 22.3425 5.12489 59.3331 5.08829 16.5254 TIMING: 3314600 CPU: 10542.1, 0.00315779/step Wall: 10542.1, 0.00315779/step, 1.47837 hours remaining, 241.832031 MB of memory in use. ENERGY: 3314600 3914.4902 20677.8831 14419.0995 234.4539 -203796.5489 2606.2898 0.0000 0.0000 52075.4133 -109868.9191 299.2781 -161944.3325 -109490.3018 298.4208 135.8866 156.8157 760660.1830 -10.7586 -10.7596 PRESSURE: 3314800 123.29 -11.8187 -92.6214 -11.82 30.7089 -74.6222 -92.6214 -74.6221 -53.958 GPRESSURE: 3314800 138.78 22.8531 -30.8244 -48.6205 63.2257 -95.8457 -145.614 -139.426 5.95068 PRESSAVG: 3314800 -39.7081 21.2734 -56.6244 21.2734 65.3994 1.33457 -56.6243 1.33464 27.2061 GPRESSAVG: 3314800 -38.4986 21.5725 -55.519 21.3234 63.6831 2.34023 -56.3124 -0.12099 26.8859 TIMING: 3314800 CPU: 10542.7, 0.00312344/step Wall: 10542.7, 0.00312344/step, 1.46212 hours remaining, 241.832031 MB of memory in use. ENERGY: 3314800 3950.0700 20540.3474 14420.7253 259.6564 -203568.9087 2768.3661 0.0000 0.0000 51980.2307 -109649.5128 298.7311 -161629.7434 -109281.6866 298.2000 33.3469 69.3189 760827.0176 17.6324 17.3568 PRESSURE: 3315000 372.395 124.226 -50.5275 124.226 -70.3242 -12.7836 -50.5277 -12.7838 112.852 GPRESSURE: 3315000 252.796 99.6147 -57.0464 91.8628 188.199 -16.9797 -140.386 -25.1523 77.6533 PRESSAVG: 3315000 -19.6487 38.1108 -27.231 38.1107 22.9121 14.9041 -27.231 14.9042 -7.05197 GPRESSAVG: 3315000 -21.0633 38.6366 -29.6828 39.17 23.1121 14.4516 -26.0177 15.296 -5.96763 TIMING: 3315000 CPU: 10543.3, 0.00316208/step Wall: 10543.3, 0.00316208/step, 1.48003 hours remaining, 241.832031 MB of memory in use. ENERGY: 3315000 3964.3409 20541.0059 14402.9380 233.7855 -203600.7790 2604.9248 0.0000 0.0000 52143.8518 -109709.9322 299.6714 -161853.7840 -109346.5931 298.5084 138.3079 172.8825 761116.4045 -1.2629 -1.3063 PRESSURE: 3315200 -299.559 -20.4374 -181.192 -20.4375 -134.363 -118.234 -181.192 -118.234 26.4224 GPRESSURE: 3315200 -287.434 -46.8655 -175.125 -30.9648 -86.2592 -93.9542 -209.163 -99.0359 51.9349 PRESSAVG: 3315200 -51.4881 -24.1563 -53.5167 -24.1563 71.8034 -12.9354 -53.5168 -12.9354 21.7228 GPRESSAVG: 3315200 -51.0088 -22.6376 -51.7205 -25.0896 71.7087 -12.7375 -53.4627 -14.4278 21.0003 TIMING: 3315200 CPU: 10543.9, 0.00316559/step Wall: 10543.9, 0.00316559/step, 1.4815 hours remaining, 241.832031 MB of memory in use. ENERGY: 3315200 3980.7564 20597.0660 14382.0477 223.9636 -203417.9170 2481.7306 0.0000 0.0000 52035.8616 -109716.4912 299.0508 -161752.3528 -109354.5480 298.3119 -135.8334 -107.2529 761214.9645 14.0127 13.9001 PRESSURE: 3315400 35.2172 -201.243 -114.776 -201.243 -149.238 237.667 -114.776 237.667 -104.883 GPRESSURE: 3315400 27.5711 -90.0636 -26.0418 -94.5369 -82.7131 162.927 -137.44 267.083 -91.6294 PRESSAVG: 3315400 -17.9354 -31.7032 -0.722028 -31.7033 24.3519 32.2793 -0.722007 32.2793 11.8007 GPRESSAVG: 3315400 -19.3853 -33.2293 -1.86454 -30.1043 25.4452 31.4125 -0.31881 33.5897 11.3488 TIMING: 3315400 CPU: 10544.6, 0.00318979/step Wall: 10544.6, 0.00318979/step, 1.49264 hours remaining, 241.832031 MB of memory in use. ENERGY: 3315400 3913.3023 20631.0613 14408.0152 234.5457 -203448.7650 2476.2375 0.0000 0.0000 51932.4576 -109853.1453 298.4565 -161785.6029 -109501.8347 298.6986 -72.9681 -48.9238 762541.5923 6.0724 5.8029 PRESSURE: 3315600 29.9544 169.296 -47.0881 169.296 105.966 -28.1183 -47.0881 -28.1187 130.749 GPRESSURE: 3315600 68.2807 174.436 24.9878 9.48174 207.425 7.44264 -91.9949 18.672 74.7337 PRESSAVG: 3315600 -2.91119 -21.7239 -19.2306 -21.7238 11.3492 24.2358 -19.2306 24.2358 16.5613 GPRESSAVG: 3315600 -1.73383 -20.8122 -17.1305 -23.837 10.6592 25.0469 -22.2271 23.0569 16.0302 TIMING: 3315600 CPU: 10545.2, 0.00316972/step Wall: 10545.2, 0.00316972/step, 1.48308 hours remaining, 241.832031 MB of memory in use. ENERGY: 3315600 3918.7150 20480.2698 14410.1224 256.5504 -203439.8187 2531.1627 0.0000 0.0000 52123.4455 -109719.5528 299.5542 -161842.9983 -109352.2647 298.6205 88.8897 116.8132 761691.9795 8.3331 8.3185 PRESSURE: 3315800 -170.843 1.6618 -229.619 1.66252 197.781 144.671 -229.619 144.67 -50.4539 GPRESSURE: 3315800 -264.22 -16.6443 -150.307 1.632 259.476 249.255 -134.59 110.419 62.1321 PRESSAVG: 3315800 -55.7105 -9.17735 36.4684 -9.1773 63.694 18.4713 36.4685 18.4712 8.91267 GPRESSAVG: 3315800 -55.9723 -9.33781 34.7395 -8.45432 62.5753 17.1696 38.3365 17.953 9.74775 TIMING: 3315800 CPU: 10545.9, 0.00316/step Wall: 10545.9, 0.00316/step, 1.47835 hours remaining, 241.832031 MB of memory in use. ENERGY: 3315800 3968.8342 20547.8555 14492.2300 239.4318 -203379.3341 2576.1267 0.0000 0.0000 51838.2231 -109716.6328 297.9150 -161554.8559 -109351.7410 298.6451 -7.8388 19.1291 762160.2252 5.6321 5.4503 PRESSURE: 3316000 -464.563 -125.717 -180.278 -125.717 -242.474 215.219 -180.278 215.219 -247.145 GPRESSURE: 3316000 -375.552 -126.659 -203.816 31.0768 -240.349 279.052 -174.123 59.8502 -244.83 PRESSAVG: 3316000 -77.2669 2.11266 26.2708 2.11264 86.564 37.4991 26.2708 37.499 -11.4135 GPRESSAVG: 3316000 -76.8641 1.66096 25.2039 2.36975 86.9834 38.9951 26.3182 37.0951 -12.3478 TIMING: 3316000 CPU: 10546.5, 0.00315779/step Wall: 10546.5, 0.00315779/step, 1.47714 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3316000 4008.0619 20458.7879 14404.7807 240.7681 -203190.1363 2465.7997 0.0000 0.0000 51864.2526 -109747.6854 298.0646 -161611.9380 -109375.4444 298.4732 -318.0607 -286.9101 763922.5289 -0.7055 -0.7428 PRESSURE: 3316200 -187.652 -13.4869 130.02 -13.4876 104.022 -40.9172 130.02 -40.9175 111.955 GPRESSURE: 3316200 -170.577 5.53619 127.335 77.0666 214.352 -37.3809 130.149 -134.187 71.7921 PRESSAVG: 3316200 -66.7011 -26.6893 7.99786 -26.6893 61.2895 0.203319 7.99787 0.203301 -3.69309 GPRESSAVG: 3316200 -66.7051 -27.5357 9.35205 -25.146 61.5071 -1.14735 8.20653 2.61838 -3.27593 TIMING: 3316200 CPU: 10547.1, 0.00318105/step Wall: 10547.1, 0.00318105/step, 1.48785 hours remaining, 241.832031 MB of memory in use. ENERGY: 3316200 3983.6038 20554.6373 14429.4146 247.0492 -204093.2679 2997.8019 0.0000 0.0000 51991.2592 -109889.5019 298.7945 -161880.7611 -109531.9400 298.8469 9.4416 38.5223 762212.8467 -3.0349 -2.8246 LDB: ============= START OF LOAD BALANCING ============== 10559.6 LDB: ============== END OF LOAD BALANCING =============== 10559.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10559.6 LDB: ============= START OF LOAD BALANCING ============== 10559.9 LDB: Largest compute 7070 load 0.036634 is 18.8% of average load 0.195271 LDB: Average compute 0.004378 is 2.2% of average load 0.195271 LDB: TIME 10559.9 LOAD: AVG 0.195271 MAX 0.214761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 10559.9 LOAD: AVG 0.195271 MAX 0.214761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 10559.9 LOAD: AVG 0.195271 MAX 0.214761 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 10559.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10559.9 PRESSURE: 3316400 258.295 273.095 51.8008 273.095 292.954 49.5455 51.8002 49.5458 54.9651 GPRESSURE: 3316400 396.037 271.839 1.06235 171.602 259.777 84.4743 -46.2261 8.54121 26.8392 PRESSAVG: 3316400 -79.6594 25.7635 10.4231 25.7635 81.8208 57.1104 10.4231 57.1103 4.08507 GPRESSAVG: 3316400 -80.2866 27.4434 10.7675 22.7495 81.9536 59.2826 9.42662 56.0383 4.58179 TIMING: 3316400 CPU: 10547.8, 0.00321009/step Wall: 10547.8, 0.00321009/step, 1.50125 hours remaining, 241.121094 MB of memory in use. ENERGY: 3316400 3991.8541 20522.8590 14443.2941 239.7839 -204108.4606 3255.1637 0.0000 0.0000 51814.3210 -109841.1847 297.7776 -161655.5057 -109484.9418 298.3710 202.0714 227.5511 760963.1590 2.0822 2.0829 PRESSURE: 3316600 12.6652 -111.358 -449.344 -111.359 -207.957 -93.6914 -449.344 -93.6909 -45.7668 GPRESSURE: 3316600 -30.4585 -107.137 -431.957 -108.385 -133.83 -43.2918 -197.303 -94.7062 -6.87335 PRESSAVG: 3316600 -36.5964 -20.6762 -55.8273 -20.6762 6.12373 41.2789 -55.8274 41.2788 7.26444 GPRESSAVG: 3316600 -36.1546 -21.7124 -54.6253 -19.0557 5.65891 41.3632 -55.9992 42.3338 6.99312 TIMING: 3316600 CPU: 10548.4, 0.00316436/step Wall: 10548.4, 0.00316436/step, 1.47969 hours remaining, 241.324219 MB of memory in use. ENERGY: 3316600 4038.3880 20393.9250 14489.7092 243.3324 -203251.9819 2444.9930 0.0000 0.0000 51947.9216 -109693.7128 298.5454 -161641.6343 -109339.5067 298.5720 -80.3528 -57.0539 761680.4916 -7.7361 -7.8342 PRESSURE: 3316800 -365.127 -151.41 245.181 -151.409 -120.125 149.795 245.181 149.794 -89.3116 GPRESSURE: 3316800 -234.798 -219.221 171.33 -26.3247 -126.314 67.8436 121.648 11.2683 -129.318 PRESSAVG: 3316800 -3.82581 1.32566 -17.2892 1.32563 19.1581 63.1481 -17.2892 63.148 10.7534 GPRESSAVG: 3316800 -4.31615 0.802232 -19.5962 0.733634 21.2986 62.5199 -16.2458 64.5696 9.60436 TIMING: 3316800 CPU: 10549, 0.00316839/step Wall: 10549, 0.00316839/step, 1.4814 hours remaining, 241.324219 MB of memory in use. ENERGY: 3316800 4052.9761 20343.6802 14418.4621 221.5525 -203046.0035 2505.2043 0.0000 0.0000 51914.8370 -109589.2914 298.3553 -161504.1284 -109230.0520 298.4360 -191.5214 -163.4766 764295.0073 8.6952 8.8623 PRESSURE: 3317000 171.94 -27.4493 154.581 -27.4494 -132.718 -285.821 154.58 -285.82 -30.3302 GPRESSURE: 3317000 339.479 -51.7012 176.296 11.732 -201.406 -235.654 109.256 -246.64 -51.1122 PRESSAVG: 3317000 -4.24635 -4.13061 -30.7709 -4.13057 -16.7916 -7.69953 -30.771 -7.69956 13.4188 GPRESSAVG: 3317000 -4.07473 -2.08193 -30.9294 -4.09127 -17.3501 -8.39415 -31.3094 -8.69066 13.7484 TIMING: 3317000 CPU: 10549.7, 0.00316682/step Wall: 10549.7, 0.00316682/step, 1.48049 hours remaining, 241.324219 MB of memory in use. ENERGY: 3317000 3990.9742 20580.5803 14487.9978 251.4368 -203380.5525 2637.7447 0.0000 0.0000 51576.8980 -109854.9208 296.4131 -161431.8188 -109503.6208 298.3036 2.9638 28.9869 761206.8789 -2.5397 -2.5588 PRESSURE: 3317200 -34.6762 -51.677 -4.1467 -51.6772 -207.665 288.118 -4.14697 288.117 -117.243 GPRESSURE: 3317200 -27.5902 112.205 -13.5027 -128.895 -163.824 234.636 -133.285 281.844 -109.272 PRESSAVG: 3317200 -8.77415 -71.7535 -6.25108 -71.7536 0.484164 -0.0311379 -6.25105 -0.0311034 -2.15383 GPRESSAVG: 3317200 -8.82184 -74.3032 -4.71915 -72.7518 0.116488 -0.64864 -4.91298 -0.177619 -2.21713 TIMING: 3317200 CPU: 10550.3, 0.00317041/step Wall: 10550.3, 0.00317041/step, 1.48199 hours remaining, 241.324219 MB of memory in use. ENERGY: 3317200 4048.2455 20378.0175 14458.4741 249.2668 -203250.1215 2535.4698 0.0000 0.0000 52012.6465 -109568.0012 298.9174 -161580.6478 -109208.5545 298.6257 -119.8614 -100.2287 760987.3566 -3.4813 -3.6408 PRESSURE: 3317400 243.608 -5.10546 -77.8051 -5.10527 -264.58 -176.522 -77.8047 -176.522 -181.613 GPRESSURE: 3317400 231.448 -63.7009 -47.3354 -50.8428 -194.209 -146.112 -4.097 -125.746 -164.335 PRESSAVG: 3317400 -6.70557 -43.1682 -27.3995 -43.1682 -15.4629 -13.492 -27.3995 -13.492 11.3629 GPRESSAVG: 3317400 -7.4122 -42.135 -27.1897 -43.1457 -15.5537 -12.6853 -28.8289 -14.8015 12.0502 TIMING: 3317400 CPU: 10550.9, 0.00316349/step Wall: 10550.9, 0.00316349/step, 1.47858 hours remaining, 241.324219 MB of memory in use. ENERGY: 3317400 4016.9558 20449.7209 14486.7619 247.5451 -203348.8118 2673.0085 0.0000 0.0000 52080.9380 -109393.8816 299.3099 -161474.8196 -109042.4991 298.9179 -67.5285 -42.3651 761376.6349 -3.6018 -3.6386 PRESSURE: 3317600 23.311 -29.487 -7.60073 -29.4874 -34.9222 -112.834 -7.60099 -112.834 -271.082 GPRESSURE: 3317600 29.4684 0.51346 -64.159 -10.7698 35.0389 -45.9325 5.31518 -69.5543 -249.105 PRESSAVG: 3317600 22.5531 -6.25503 -30.9291 -6.25514 2.92355 2.32889 -30.9291 2.32892 21.5099 GPRESSAVG: 3317600 23.3725 -6.08818 -30.9393 -4.59401 2.76791 0.99796 -30.7058 3.18222 21.0623 TIMING: 3317600 CPU: 10551.6, 0.0031601/step Wall: 10551.6, 0.0031601/step, 1.47682 hours remaining, 241.324219 MB of memory in use. ENERGY: 3317600 4033.6705 20263.6930 14497.0033 255.9951 -203104.3787 2379.8420 0.0000 0.0000 52154.1714 -109520.0034 299.7307 -161674.1748 -109160.3326 299.2053 -94.2311 -61.5325 760247.4181 15.6622 15.7342 PRESSURE: 3317800 -211.05 -190.043 -150.662 -190.043 41.58 76.5957 -150.663 76.596 -337.649 GPRESSURE: 3317800 -112.943 -181.403 -90.6009 -51.1366 5.13891 66.2521 -265.663 60.5555 -319.912 PRESSAVG: 3317800 -20.9285 -8.62495 -68.1139 -8.62487 57.5894 2.61742 -68.1139 2.61742 15.3922 GPRESSAVG: 3317800 -20.4176 -8.22364 -66.6046 -8.1445 57.4092 3.40079 -67.938 3.2415 15.3483 TIMING: 3317800 CPU: 10552.2, 0.00317975/step Wall: 10552.2, 0.00317975/step, 1.48582 hours remaining, 241.324219 MB of memory in use. ENERGY: 3317800 4037.7480 20568.7050 14443.8376 256.2793 -203269.3966 2509.5869 0.0000 0.0000 51913.9103 -109539.3296 298.3500 -161453.2399 -109182.6789 298.9612 -169.0396 -142.5719 762682.8425 17.3510 17.4466 PRESSURE: 3318000 -219.733 -207.734 -102.821 -207.734 27.6141 -162.979 -102.821 -162.979 75.9387 GPRESSURE: 3318000 -78.706 -192.47 -37.9477 -290.255 43.6744 -174.999 -34.8605 -129.546 -3.06376 PRESSAVG: 3318000 -21.148 -58.6752 -19.2439 -58.6752 38.0014 24.8875 -19.2439 24.8875 2.30475 GPRESSAVG: 3318000 -21.3723 -59.3509 -20.6225 -60.7414 38.0423 24.2439 -19.4106 25.027 2.12261 TIMING: 3318000 CPU: 10552.8, 0.00316269/step Wall: 10552.8, 0.00316269/step, 1.47768 hours remaining, 241.324219 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: 3318000 3945.4291 20416.8390 14430.7929 251.0603 -203635.1963 2801.3916 0.0000 0.0000 51981.6760 -109808.0075 298.7394 -161789.6835 -109441.8401 298.5481 -38.7266 -12.6985 761488.8569 6.3860 6.2642 PRESSURE: 3318200 148.32 -245.106 -233.154 -245.105 -130.237 -161.709 -233.153 -161.709 275.487 GPRESSURE: 3318200 215.841 -220.308 -163.63 -119.269 -79.5037 -162.87 -237.263 -126.138 263.688 PRESSAVG: 3318200 -6.33205 -49.9553 -24.7371 -49.9553 40.7638 12.0214 -24.7371 12.0214 -2.37594 GPRESSAVG: 3318200 -6.7642 -50.8844 -25.2373 -49.0591 41.1232 13.1014 -23.9183 10.3868 -2.11438 TIMING: 3318200 CPU: 10553.5, 0.00315565/step Wall: 10553.5, 0.00315565/step, 1.47421 hours remaining, 241.324219 MB of memory in use. ENERGY: 3318200 3942.5340 20445.8117 14439.9253 242.4548 -203517.6043 2552.1320 0.0000 0.0000 52111.8198 -109782.9267 299.4873 -161894.7465 -109423.7429 298.2532 97.8566 133.3420 758764.6714 10.6853 10.7482 PRESSURE: 3318400 392.21 159.306 103.874 159.305 290.325 47.6915 103.874 47.6903 -129.581 GPRESSURE: 3318400 380.221 231.924 109.194 118.603 419.381 21.6235 35.4877 4.65132 -141.457 PRESSAVG: 3318400 57.6048 -14.1422 33.8561 -14.1422 -29.446 -27.7709 33.8561 -27.7709 -8.67594 GPRESSAVG: 3318400 57.0739 -12.108 36.1133 -14.8032 -28.6958 -26.8913 32.9435 -26.9049 -8.77222 TIMING: 3318400 CPU: 10554.1, 0.0031747/step Wall: 10554.1, 0.0031747/step, 1.48294 hours remaining, 241.324219 MB of memory in use. ENERGY: 3318400 3931.0891 20318.6849 14422.2752 251.8391 -203857.6633 3040.6377 0.0000 0.0000 52094.5706 -109798.5667 299.3882 -161893.1373 -109422.0534 298.4990 184.3179 219.3819 759847.1479 6.4943 6.5353 PRESSURE: 3318600 424.934 24.2051 160.589 24.2051 346.493 -12.0595 160.589 -12.0597 -114.265 GPRESSURE: 3318600 500.793 78.9639 44.79 -29.9887 295.192 -89.1704 202.772 -107.606 -75.0844 PRESSAVG: 3318600 -9.70126 -26.1955 -14.2341 -26.1955 26.3439 41.3422 -14.2341 41.3421 8.03391 GPRESSAVG: 3318600 -9.7486 -27.5146 -16.4512 -28.3292 25.0403 41.7207 -13.423 40.6728 9.11195 TIMING: 3318600 CPU: 10554.7, 0.00316029/step Wall: 10554.7, 0.00316029/step, 1.47603 hours remaining, 241.324219 MB of memory in use. ENERGY: 3318600 4034.0401 20287.7978 14390.6607 244.5780 -203724.4041 3017.2581 0.0000 0.0000 51869.1887 -109880.8807 298.0929 -161750.0693 -109520.9405 297.7185 219.0539 240.3000 763057.0631 8.2255 8.1345 PRESSURE: 3318800 -154.623 -51.464 270.665 -51.4649 253.781 -70.4052 270.665 -70.4052 -312.783 GPRESSURE: 3318800 -73.2981 -33.3927 250.678 82.7428 163.056 -42.6149 199.244 19.5949 -210.732 PRESSAVG: 3318800 7.33858 -77.8403 22.7063 -77.8402 -53.4737 -7.23619 22.7063 -7.23622 -10.3285 GPRESSAVG: 3318800 7.92361 -76.4091 23.45 -77.0194 -52.9228 -7.55884 20.8952 -6.57765 -11.73 TIMING: 3318800 CPU: 10555.4, 0.00318234/step Wall: 10555.4, 0.00318234/step, 1.48615 hours remaining, 241.324219 MB of memory in use. ENERGY: 3318800 3915.7089 20441.7759 14433.9659 270.2983 -203256.9187 2617.9982 0.0000 0.0000 51792.1932 -109784.9782 297.6504 -161577.1714 -109426.0609 297.8453 -71.2084 -40.3245 762379.4026 -18.8212 -18.9097 PRESSURE: 3319000 55.5083 -202.982 -19.3498 -202.981 326.726 77.0381 -19.3487 77.0375 260.659 GPRESSURE: 3319000 113.335 -188.893 -40.7924 -189.327 299.892 52.8577 -86.9085 161.428 320.146 PRESSAVG: 3319000 -19.6232 -33.666 23.2997 -33.666 -6.09984 48.3957 23.2998 48.3957 18.238 GPRESSAVG: 3319000 -18.5434 -33.8844 23.0649 -31.9807 -6.69626 47.4364 24.3898 49.9137 18.1008 TIMING: 3319000 CPU: 10556, 0.00314947/step Wall: 10556, 0.00314947/step, 1.47063 hours remaining, 241.324219 MB of memory in use. ENERGY: 3319000 3956.5839 20412.1678 14426.7850 230.0458 -203725.0814 2769.4514 0.0000 0.0000 52042.8275 -109887.2201 299.0908 -161930.0476 -109535.4134 297.8935 214.2978 244.4575 760706.1674 -2.4950 -2.3796 PRESSURE: 3319200 27.0536 87.4461 54.361 87.4455 -16.8976 147.904 54.3605 147.904 200.426 GPRESSURE: 3319200 149.324 68.1894 3.48288 -48.4139 5.53853 54.2209 139.361 63.83 125.469 PRESSAVG: 3319200 -5.22423 -87.7917 -10.7082 -87.7916 -0.783261 21.4997 -10.7083 21.4997 -9.56238 GPRESSAVG: 3319200 -5.54828 -87.4685 -10.7201 -89.2736 -0.426936 21.3657 -9.95394 20.3548 -9.46883 TIMING: 3319200 CPU: 10556.6, 0.00314881/step Wall: 10556.6, 0.00314881/step, 1.47014 hours remaining, 241.324219 MB of memory in use. ENERGY: 3319200 3943.7895 20549.4724 14365.1503 242.6312 -203170.7699 2472.2939 0.0000 0.0000 51799.5423 -109797.8903 297.6927 -161597.4326 -109442.4971 298.1608 70.1938 93.4439 762761.3162 -5.1900 -5.1480 PRESSURE: 3319400 40.0279 85.6767 3.41662 85.6757 -13.9422 147.321 3.41671 147.321 58.7344 GPRESSURE: 3319400 48.1767 88.7566 82.4035 97.301 28.2057 149.214 -195.985 95.8374 88.4918 PRESSAVG: 3319400 -64.3901 -20.0093 -2.42348 -20.0093 43.0873 15.3035 -2.42347 15.3035 4.7547 GPRESSAVG: 3319400 -64.2162 -20.6685 -1.34422 -18.3526 42.93 15.2489 -5.1647 15.4745 4.30319 TIMING: 3319400 CPU: 10557.3, 0.00315298/step Wall: 10557.3, 0.00315298/step, 1.47192 hours remaining, 241.324219 MB of memory in use. ENERGY: 3319400 3946.5580 20394.2262 14325.8752 240.7548 -203255.0106 2607.8738 0.0000 0.0000 52054.6262 -109685.0964 299.1587 -161739.7226 -109323.3155 298.2851 28.2734 54.9581 762635.9786 -5.5160 -5.6610 PRESSURE: 3319600 246.6 -73.4826 -23.0626 -73.4822 29.0884 8.52675 -23.062 8.52541 34.1832 GPRESSURE: 3319600 243.243 -44.2327 -61.4285 -203.496 168.024 68.531 -24.4947 -33.1949 0.563351 PRESSAVG: 3319600 -42.8786 -17.9111 -31.4009 -17.9111 51.4291 7.09051 -31.4009 7.09053 -8.47942 GPRESSAVG: 3319600 -43.3702 -17.26 -31.5398 -18.9235 51.9113 6.85582 -30.7992 7.97965 -8.29956 TIMING: 3319600 CPU: 10557.9, 0.00313135/step Wall: 10557.9, 0.00313135/step, 1.46165 hours remaining, 241.324219 MB of memory in use. ENERGY: 3319600 3940.8269 20325.8548 14404.4575 263.3619 -203384.6644 2742.1778 0.0000 0.0000 52004.7770 -109703.2086 298.8722 -161707.9856 -109336.2240 297.9579 103.2906 137.2768 762982.0396 0.0237 0.0805 PRESSURE: 3319800 -248.135 112.551 -120.368 112.55 -59.3539 57.5369 -120.367 57.5365 109.895 GPRESSURE: 3319800 -324.677 128.821 -166.665 143.195 11.9455 87.2329 -102.916 168.285 210.447 PRESSAVG: 3319800 10.2775 -41.3334 -41.6589 -41.3334 31.3017 22.7926 -41.659 22.7927 15.6608 GPRESSAVG: 3319800 10.0821 -41.1465 -41.5192 -41.5275 31.0763 24.762 -40.216 20.9255 15.7975 TIMING: 3319800 CPU: 10558.5, 0.00312418/step Wall: 10558.5, 0.00312418/step, 1.45812 hours remaining, 241.324219 MB of memory in use. ENERGY: 3319800 3947.6115 20495.1490 14407.8190 245.8296 -203479.7614 2573.1787 0.0000 0.0000 52054.1263 -109756.0472 299.1558 -161810.1735 -109389.5198 298.4104 -65.8647 -34.0949 760657.9943 19.0800 18.9853 PRESSURE: 3320000 44.8895 -104.933 -86.1283 -104.933 -140.028 -106.694 -86.1279 -106.694 -162.634 GPRESSURE: 3320000 44.2961 -49.9068 -102.831 -174.391 -59.4528 -146.313 -8.08656 -104.382 -144.035 PRESSAVG: 3320000 -38.0281 -50.9784 -61.5567 -50.9784 3.98211 25.4769 -61.5567 25.4769 -10.142 GPRESSAVG: 3320000 -37.7256 -51.4946 -62.8422 -51.2576 4.68336 24.6522 -62.0457 26.681 -10.0942 TIMING: 3320000 CPU: 10559.1, 0.00312113/step Wall: 10559.1, 0.00312113/step, 1.45653 hours remaining, 241.324219 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: 3320000 3904.3253 20411.6528 14443.2203 237.3546 -202956.2898 2261.6894 0.0000 0.0000 52002.4922 -109695.5552 298.8590 -161698.0473 -109323.5275 298.5725 -85.9242 -53.0639 761362.6403 -14.7293 -14.3788 PRESSURE: 3320200 -107.568 -300.179 -19.3418 -300.178 -285.607 95.4846 -19.3415 95.485 -259.208 GPRESSURE: 3320200 -79.1819 -254.204 -50.113 -203.937 -226.72 -11.4067 28.5209 146.451 -258.624 PRESSAVG: 3320200 31.715 -61.2624 10.2001 -61.2624 -14.2182 60.3872 10.2001 60.3872 11.9294 GPRESSAVG: 3320200 31.2651 -62.2745 9.40286 -58.6094 -13.3418 60.3085 11.9735 60.9209 11.5752 TIMING: 3320200 CPU: 10559.8, 0.00313691/step Wall: 10559.8, 0.00313691/step, 1.46372 hours remaining, 241.324219 MB of memory in use. ENERGY: 3320200 3997.2621 20526.0451 14451.4529 240.1023 -202983.4550 2172.6453 0.0000 0.0000 52111.0383 -109484.9091 299.4829 -161595.9474 -109118.2017 298.8731 -217.4608 -188.1751 758959.3852 9.8087 9.8328 LDB: ============= START OF LOAD BALANCING ============== 10572.2 LDB: ============== END OF LOAD BALANCING =============== 10572.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10572.2 LDB: ============= START OF LOAD BALANCING ============== 10572.5 LDB: Largest compute 7070 load 0.034765 is 17.8% of average load 0.195288 LDB: Average compute 0.004411 is 2.3% of average load 0.195288 LDB: TIME 10572.5 LOAD: AVG 0.195288 MAX 0.211733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10572.5 LOAD: AVG 0.195288 MAX 0.211733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 10572.5 LOAD: AVG 0.195288 MAX 0.211733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 10572.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10572.5 PRESSURE: 3320400 133.282 264.298 136.234 264.297 119.032 78.2316 136.234 78.2314 84.4884 GPRESSURE: 3320400 186.037 198.299 67.0262 143.716 193.713 55.8449 -14.633 69.487 69.2429 PRESSAVG: 3320400 23.2653 -61.0746 40.5534 -61.0746 9.67647 20.1397 40.5534 20.1396 8.62015 GPRESSAVG: 3320400 22.9311 -61.4783 42.3903 -62.913 10.6279 19.3661 38.0784 18.8523 8.48733 TIMING: 3320400 CPU: 10560.4, 0.00322194/step Wall: 10560.4, 0.00322194/step, 1.50321 hours remaining, 242.089844 MB of memory in use. ENERGY: 3320400 4013.9946 20338.5080 14418.4502 246.0421 -203691.8637 3087.0512 0.0000 0.0000 51977.6547 -109610.1629 298.7163 -161587.8175 -109238.1863 298.9635 112.2676 149.6643 761525.6018 13.8540 14.0154 PRESSURE: 3320600 23.0974 -21.3134 -173.277 -21.313 19.6744 -227.021 -173.276 -227.021 141.422 GPRESSURE: 3320600 36.7466 -23.3036 -138.024 -16.8226 -9.0925 -212.696 -105.316 -204.108 224.195 PRESSAVG: 3320600 -33.8492 -34.1221 31.0211 -34.1221 29.2055 21.7712 31.0211 21.7712 5.39595 GPRESSAVG: 3320600 -32.4643 -33.975 29.4071 -33.7231 25.5284 23.2336 32.4595 22.9791 7.96319 TIMING: 3320600 CPU: 10561, 0.00313107/step Wall: 10561, 0.00313107/step, 1.46064 hours remaining, 242.089844 MB of memory in use. ENERGY: 3320600 3949.5872 20662.9191 14396.7309 259.1708 -203109.2984 2458.8776 0.0000 0.0000 51828.8217 -109553.1911 297.8610 -161382.0128 -109183.5172 298.7473 61.3979 83.9496 760641.8708 0.2508 0.3424 PRESSURE: 3320800 263.956 77.0275 -45.0331 77.027 -138.262 71.8111 -45.0318 71.8109 -0.951345 GPRESSURE: 3320800 260.131 82.269 -86.9242 90.5956 -84.8843 136.121 181.619 -62.4617 21.3721 PRESSAVG: 3320800 8.23571 9.15255 41.7867 9.15261 28.1269 27.477 41.7867 27.4769 8.87718 GPRESSAVG: 3320800 7.92221 11.8273 41.5428 5.38614 30.3146 28.5417 41.5677 26.0446 6.87302 TIMING: 3320800 CPU: 10561.7, 0.00313867/step Wall: 10561.7, 0.00313868/step, 1.46402 hours remaining, 242.089844 MB of memory in use. ENERGY: 3320800 3940.8289 20556.0258 14443.1417 249.3216 -203304.4439 2587.3926 0.0000 0.0000 52288.6350 -109239.0984 300.5035 -161527.7334 -108879.9705 299.4220 41.5809 65.5395 760212.2731 15.0799 15.0366 PRESSURE: 3321000 15.5903 -130.647 73.9404 -130.648 216.358 -28.809 73.94 -28.8085 -20.9235 GPRESSURE: 3321000 84.0376 -113.329 25.8806 -138.016 232.105 -94.289 -129.119 -28.7477 15.6564 PRESSAVG: 3321000 17.4854 -13.3084 1.03184 -13.3084 -21.8048 -39.2174 1.03184 -39.2174 15.2639 GPRESSAVG: 3321000 16.9365 -15.5248 2.18008 -11.0084 -21.3345 -41.6833 0.336589 -38.4133 15.6815 TIMING: 3321000 CPU: 10562.3, 0.00316003/step Wall: 10562.3, 0.00316003/step, 1.4738 hours remaining, 242.089844 MB of memory in use. ENERGY: 3321000 3995.2239 20467.8536 14442.1215 258.6787 -203351.7445 2714.7205 0.0000 0.0000 52199.5732 -109273.5731 299.9917 -161473.1463 -108901.8357 299.7808 70.3417 110.5997 760907.4646 3.6482 3.7612 PRESSURE: 3321200 51.1482 -305.952 -294.576 -305.951 89.609 250.751 -294.576 250.751 -316.013 GPRESSURE: 3321200 3.47039 -337.447 -251.231 -252.076 199.325 255.83 -248.92 86.4984 -282.732 PRESSAVG: 3321200 -123.647 -41.1477 4.9024 -41.1477 87.2108 58.4725 4.90242 58.4726 4.56255 GPRESSAVG: 3321200 -124.334 -38.9278 7.04593 -40.8219 87.2787 58.801 6.85014 60.7564 4.4028 TIMING: 3321200 CPU: 10562.9, 0.00313067/step Wall: 10562.9, 0.00313067/step, 1.45994 hours remaining, 242.089844 MB of memory in use. ENERGY: 3321200 3914.2749 20377.4594 14434.8350 268.5823 -203024.5055 2490.7768 0.0000 0.0000 52523.6814 -109014.8957 301.8543 -161538.5771 -108647.6184 299.6108 -58.4187 -26.6457 762995.2097 -10.6244 -10.8841 PRESSURE: 3321400 172.82 -94.9556 205.327 -94.9551 124.395 -277.924 205.327 -277.925 198.547 GPRESSURE: 3321400 198.93 -107.291 185.281 -66.8111 141.287 -148.13 208.643 -271.319 228.066 PRESSAVG: 3321400 -55.0272 34.8598 -48.206 34.8598 39.9146 10.3196 -48.206 10.3196 16.7086 GPRESSAVG: 3321400 -54.189 34.3994 -51.669 35.1199 39.4153 12.7393 -48.5705 9.13242 16.3153 TIMING: 3321400 CPU: 10563.5, 0.00315058/step Wall: 10563.5, 0.00315058/step, 1.46904 hours remaining, 242.089844 MB of memory in use. ENERGY: 3321400 3907.7708 20361.4873 14451.0835 252.2886 -202924.8371 2668.5922 0.0000 0.0000 52371.6386 -108911.9761 300.9805 -161283.6148 -108545.6472 300.6469 165.2540 189.4277 762847.3322 0.5320 0.5139 PRESSURE: 3321600 -121.993 7.44006 133.51 7.44073 179.651 105.543 133.511 105.542 86.8222 GPRESSURE: 3321600 -29.0939 60.7464 94.1623 -92.4783 199.56 145.494 20.319 -89.771 56.393 PRESSAVG: 3321600 -45.2355 0.474601 31.5127 0.474529 20.2226 -13.8805 31.5127 -13.8806 6.60564 GPRESSAVG: 3321600 -44.161 0.277671 31.1807 1.09457 20.0421 -16.0797 32.7964 -12.9018 6.12822 TIMING: 3321600 CPU: 10564.2, 0.00315184/step Wall: 10564.2, 0.00315184/step, 1.46946 hours remaining, 242.089844 MB of memory in use. ENERGY: 3321600 3984.5104 20565.8987 14460.2176 234.9085 -202829.9741 2474.7696 0.0000 0.0000 52342.5031 -108767.1661 300.8131 -161109.6692 -108405.9623 300.3337 48.1600 75.6197 763176.6576 -6.1358 -5.9969 PRESSURE: 3321800 -66.8914 111.977 -261.526 111.977 105.598 213.59 -261.526 213.59 103.6 GPRESSURE: 3321800 -54.906 34.3638 -234.035 108.569 90.8378 226.886 -330.813 145.111 191.642 PRESSAVG: 3321800 -51.1059 -19.0017 -4.24927 -19.0017 -13.8521 20.3798 -4.24928 20.3797 -6.05836 GPRESSAVG: 3321800 -52.7081 -21.9588 -2.79319 -20.1601 -13.3906 21.1646 -7.09012 16.2491 -5.23321 TIMING: 3321800 CPU: 10564.8, 0.00314876/step Wall: 10564.8, 0.00314876/step, 1.46785 hours remaining, 242.089844 MB of memory in use. ENERGY: 3321800 3879.5951 20499.4474 14438.7485 233.1370 -202535.4577 2302.4275 0.0000 0.0000 52351.3191 -108830.7831 300.8638 -161182.1022 -108459.3163 300.3532 47.4354 75.8580 762254.2979 -23.6721 -23.7773 PRESSURE: 3322000 278.87 153.016 -20.4137 153.016 204.019 183.827 -20.4143 183.827 -300.856 GPRESSURE: 3322000 352.208 10.5043 -38.7527 45.0916 218.978 248.977 95.1699 201.093 -287.434 PRESSAVG: 3322000 -20.9602 -12.6579 25.2086 -12.6579 -24.6945 31.6172 25.2085 31.6171 15.562 GPRESSAVG: 3322000 -20.0357 -9.71898 25.8077 -12.0595 -25.612 32.2343 27.5444 33.9228 15.6176 TIMING: 3322000 CPU: 10565.4, 0.00315977/step Wall: 10565.4, 0.00315977/step, 1.47281 hours remaining, 242.089844 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: 3322000 3961.1635 20480.2634 14390.1419 244.3290 -203015.8405 2599.3447 0.0000 0.0000 52473.6053 -108866.9927 301.5665 -161340.5980 -108495.7913 300.1346 60.6776 94.5842 761900.8065 -10.0309 -10.0100 PRESSURE: 3322200 -172.257 201.029 -49.8178 201.029 -66.1423 134.389 -49.8186 134.389 165.58 GPRESSURE: 3322200 -126.703 96.9938 8.31329 189.177 -69.2442 42.4449 -7.73834 140.981 215.706 PRESSAVG: 3322200 -14.1098 10.9132 -54.5222 10.9132 64.865 -3.69571 -54.5222 -3.69573 -19.2607 GPRESSAVG: 3322200 -15.1741 9.83093 -55.0005 12.7499 64.6721 -4.97739 -54.3903 -3.38778 -18.0193 TIMING: 3322200 CPU: 10566.1, 0.00317705/step Wall: 10566.1, 0.00317705/step, 1.48068 hours remaining, 242.089844 MB of memory in use. ENERGY: 3322200 4043.1096 20750.0159 14386.6596 257.6114 -203226.0122 2569.0058 0.0000 0.0000 52260.8246 -108958.7854 300.3437 -161219.6100 -108606.7264 300.2784 -24.2730 6.5862 761710.9177 10.4982 10.4929 PRESSURE: 3322400 84.0646 148.814 55.7306 148.814 -338.046 28.1202 55.7308 28.1196 8.17855 GPRESSURE: 3322400 212.132 12.7856 28.6158 148.864 -328.374 28.9738 -47.3227 43.2788 -47.5021 PRESSAVG: 3322400 -8.68842 51.2623 37.1392 51.2623 43.5858 -12.4461 37.1392 -12.4461 8.71477 GPRESSAVG: 3322400 -8.84982 51.5935 36.3184 48.1889 44.0835 -13.2524 35.4023 -11.9267 8.08407 TIMING: 3322400 CPU: 10566.7, 0.00318132/step Wall: 10566.7, 0.00318132/step, 1.48249 hours remaining, 242.089844 MB of memory in use. ENERGY: 3322400 3996.5244 20617.2740 14448.9180 237.5661 -202503.2054 2186.7070 0.0000 0.0000 51780.4999 -109235.7160 297.5832 -161016.2159 -108880.1420 299.9262 -81.9342 -54.5813 761915.6410 14.5374 14.4393 PRESSURE: 3322600 -65.5582 -25.1194 -49.522 -25.12 85.0058 -23.949 -49.5218 -23.9501 -122.28 GPRESSURE: 3322600 38.4941 57.5805 -52.6651 14.0358 109.124 -93.9962 22.3461 3.63232 -164.531 PRESSAVG: 3322600 7.24361 55.103 5.3198 55.103 1.18146 -13.9055 5.31984 -13.9055 -1.91556 GPRESSAVG: 3322600 8.28078 54.109 6.65693 57.712 1.25517 -13.2961 4.91777 -14.679 -2.46269 TIMING: 3322600 CPU: 10567.3, 0.00315153/step Wall: 10567.3, 0.00315153/step, 1.46844 hours remaining, 242.089844 MB of memory in use. ENERGY: 3322600 4041.5940 20593.6438 14410.6131 236.7973 -202715.8287 2272.4139 0.0000 0.0000 51915.1438 -109245.6228 298.3570 -161160.7666 -108895.6904 299.2162 -34.2776 -5.6379 760815.0295 2.1698 2.3578 PRESSURE: 3322800 -20.1997 47.4495 42.0694 47.4503 135.998 -138.349 42.0694 -138.348 -508.517 GPRESSURE: 3322800 67.5882 46.615 53.0275 104.711 123.106 -38.2042 -36.5878 -188.199 -499.398 PRESSAVG: 3322800 3.82644 -13.8095 -29.8541 -13.8094 23.4566 -1.59653 -29.854 -1.59656 11.3915 GPRESSAVG: 3322800 4.79552 -11.7783 -30.7313 -15.1932 23.2904 -0.0965772 -28.4663 -3.71845 10.4157 TIMING: 3322800 CPU: 10568, 0.00315262/step Wall: 10568, 0.00315262/step, 1.46877 hours remaining, 242.089844 MB of memory in use. ENERGY: 3322800 3989.4981 20595.8278 14412.2505 243.8809 -203316.5704 2554.5854 0.0000 0.0000 51947.6645 -109572.8632 298.5439 -161520.5277 -109209.7507 298.8440 -130.9060 -102.9013 760587.4740 12.8915 12.8339 PRESSURE: 3323000 -283.121 -72.3662 16.9645 -72.3666 -161.7 -170.815 16.9642 -170.816 -82.2375 GPRESSURE: 3323000 -200.413 -81.2979 19.7338 -99.2931 -104.362 -213.899 92.7176 13.8587 -149.818 PRESSAVG: 3323000 -42.3861 -31.0927 -7.64565 -31.0928 -12.3163 -14.731 -7.64573 -14.731 11.9959 GPRESSAVG: 3323000 -43.7271 -31.3143 -6.7519 -30.9516 -11.8248 -16.0532 -10.7271 -13.4803 13.2145 TIMING: 3323000 CPU: 10568.6, 0.00315516/step Wall: 10568.6, 0.00315516/step, 1.46978 hours remaining, 242.089844 MB of memory in use. ENERGY: 3323000 3916.9723 20570.1237 14420.2689 247.5919 -203080.0164 2239.9533 0.0000 0.0000 51934.0193 -109751.0871 298.4655 -161685.1063 -109390.3354 298.5425 -175.6863 -151.5310 760787.8576 -14.2355 -14.1124 PRESSURE: 3323200 -348.821 -177.502 -27.2493 -177.502 -256.487 261.784 -27.2485 261.785 -281.783 GPRESSURE: 3323200 -363.231 -117.769 41.4625 -155.341 -192.177 252.867 -78.7508 165.895 -262.006 PRESSAVG: 3323200 -14.8912 -5.89011 -57.795 -5.89011 26.6202 26.3389 -57.7951 26.3388 0.648336 GPRESSAVG: 3323200 -15.6615 -7.95149 -58.2393 -6.02336 27.615 27.5174 -56.0722 26.576 0.208053 TIMING: 3323200 CPU: 10569.2, 0.00315288/step Wall: 10569.2, 0.00315288/step, 1.46854 hours remaining, 242.089844 MB of memory in use. ENERGY: 3323200 4013.9389 20479.0529 14399.7390 215.4156 -203018.8680 2193.3186 0.0000 0.0000 51630.2762 -110087.1268 296.7199 -161717.4031 -109729.1621 298.1387 -295.6971 -272.4712 761512.5262 4.1258 4.0539 PRESSURE: 3323400 -110.413 30.6401 171.975 30.6393 214.078 -2.33579 171.974 -2.33609 -19.2472 GPRESSURE: 3323400 15.6313 82.9266 151.418 109.153 158.791 99.6603 263.674 -45.2308 -7.32174 PRESSAVG: 3323400 3.35375 -39.1446 3.10585 -39.1445 50.9574 50.4437 3.10583 50.4438 16.2454 GPRESSAVG: 3323400 4.33488 -39.1786 3.73226 -37.6643 49.6822 50.4207 1.61739 51.4263 16.9264 TIMING: 3323400 CPU: 10569.9, 0.00316475/step Wall: 10569.9, 0.00316475/step, 1.47389 hours remaining, 242.089844 MB of memory in use. ENERGY: 3323400 3970.1447 20496.0931 14417.5443 228.9764 -203570.9073 2660.2689 0.0000 0.0000 51851.5859 -109946.2939 297.9918 -161797.8798 -109583.7808 297.9152 28.1392 55.7003 761259.2531 23.5188 23.6478 PRESSURE: 3323600 -340.724 -20.251 -17.3394 -20.2513 -187.903 -39.9874 -17.3396 -39.9856 -47.2019 GPRESSURE: 3323600 -262.977 3.43675 -10.9706 -51.2247 -159.391 -20.445 -152.649 -10.404 -67.3511 PRESSAVG: 3323600 -15.4394 6.77064 -20.9985 6.77065 31.9402 4.63663 -20.9985 4.63658 -20.6662 GPRESSAVG: 3323600 -15.332 7.34178 -21.3441 4.56898 32.0957 3.90276 -19.2867 2.39581 -21.6761 TIMING: 3323600 CPU: 10570.5, 0.00315751/step Wall: 10570.5, 0.00315751/step, 1.47035 hours remaining, 242.089844 MB of memory in use. ENERGY: 3323600 4014.4704 20564.2356 14420.5959 244.8726 -203485.6809 2411.7950 0.0000 0.0000 52100.1904 -109729.5211 299.4205 -161829.7115 -109371.2959 298.7550 -191.9429 -163.2398 759287.5103 -1.3884 -1.6375 PRESSURE: 3323800 -207.55 -29.4069 -194.899 -29.4058 65.7976 -41.3223 -194.897 -41.3229 -179.394 GPRESSURE: 3323800 -190.49 38.9146 -178.238 -29.0063 101.939 -79.3764 -136.712 -21.9175 -156.54 PRESSAVG: 3323800 -14.3839 30.3828 -21.8238 30.3828 29.6433 -9.65404 -21.8238 -9.65404 8.74537 GPRESSAVG: 3323800 -14.3394 28.9103 -24.4123 31.9711 28.1778 -9.67898 -20.8876 -8.76204 9.93243 TIMING: 3323800 CPU: 10571.1, 0.00316575/step Wall: 10571.1, 0.00316575/step, 1.47401 hours remaining, 242.089844 MB of memory in use. ENERGY: 3323800 4065.1961 20384.4209 14428.8467 256.4240 -203467.5534 2494.2462 0.0000 0.0000 52020.6255 -109817.7940 298.9632 -161838.4195 -109455.2674 298.8208 -107.0488 -81.6968 759507.6537 8.0016 7.9236 PRESSURE: 3324000 -335.02 39.0607 268.618 39.0613 -307.881 149.435 268.617 149.436 -66.8044 GPRESSURE: 3324000 -375.099 -65.2009 310.351 57.3929 -257.25 62.0045 176.032 125.624 19.2941 PRESSAVG: 3324000 -71.463 -4.49365 -4.97907 -4.49364 35.8239 18.0043 -4.97903 18.0044 8.48086 GPRESSAVG: 3324000 -71.2017 -4.31203 -4.52695 -3.23455 36.5411 17.7968 -5.80244 20.3162 7.63229 TIMING: 3324000 CPU: 10571.8, 0.00316247/step Wall: 10571.8, 0.00316247/step, 1.4723 hours remaining, 242.089844 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: 3324000 3975.1695 20564.7408 14462.1889 247.2299 -203496.6799 2508.0360 0.0000 0.0000 51982.8102 -109756.5046 298.7459 -161739.3148 -109392.4069 298.4338 -236.5685 -204.3514 760951.1669 -9.0528 -9.0094 PRESSURE: 3324200 -117.242 55.3131 29.9583 55.3139 66.6618 118.943 29.9584 118.943 -20.5984 GPRESSURE: 3324200 -45.1938 149.367 18.1079 -37.2681 130.556 105.978 100.249 -68.5027 -54.3544 PRESSAVG: 3324200 -128.997 7.77692 21.2653 7.77686 117.376 7.63631 21.2653 7.63627 -8.06559 GPRESSAVG: 3324200 -129.018 11.4041 20.6285 6.08645 117.1 7.29555 21.0028 6.74806 -7.80458 TIMING: 3324200 CPU: 10572.4, 0.00317032/step Wall: 10572.4, 0.00317032/step, 1.47578 hours remaining, 242.089844 MB of memory in use. ENERGY: 3324200 4030.5118 20462.0203 14436.0166 243.8802 -203566.0092 2634.5173 0.0000 0.0000 52013.8778 -109745.1851 298.9245 -161759.0630 -109387.4475 298.9926 -23.7261 10.3358 758336.4127 -6.5621 -6.5739 LDB: ============= START OF LOAD BALANCING ============== 10584.8 LDB: ============== END OF LOAD BALANCING =============== 10584.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10584.8 LDB: ============= START OF LOAD BALANCING ============== 10585.2 LDB: Largest compute 7024 load 0.034514 is 17.7% of average load 0.195485 LDB: Average compute 0.004398 is 2.2% of average load 0.195485 LDB: TIME 10585.2 LOAD: AVG 0.195485 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 10585.2 LOAD: AVG 0.195485 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: TIME 10585.2 LOAD: AVG 0.195485 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: ============== END OF LOAD BALANCING =============== 10585.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10585.2 PRESSURE: 3324400 -256.87 9.99371 16.2125 9.99485 -63.9591 105.082 16.213 105.081 102.384 GPRESSURE: 3324400 -240.772 -47.6063 -51.8148 104.463 6.2299 137.638 85.2764 8.70232 86.2835 PRESSAVG: 3324400 -48.6855 13.3592 25.9688 13.3592 42.7587 3.67495 25.9688 3.67494 -22.7553 GPRESSAVG: 3324400 -47.7814 10.1076 25.6973 15.6074 41.4356 2.78187 26.2122 3.07576 -22.8952 TIMING: 3324400 CPU: 10573, 0.00322352/step Wall: 10573, 0.00322352/step, 1.50037 hours remaining, 240.339844 MB of memory in use. ENERGY: 3324400 3998.2182 20450.2228 14438.0709 249.6532 -203267.4647 2489.7464 0.0000 0.0000 51789.9982 -109851.5551 297.6378 -161641.5533 -109476.2354 298.5456 -72.8151 -49.4195 760876.9635 -9.5607 -9.7470 PRESSURE: 3324600 -185.769 116.621 42.3031 116.622 -131.608 -179.83 42.3031 -179.829 174.324 GPRESSURE: 3324600 -59.5019 90.5817 68.1858 114.946 -122.176 -181.309 71.5851 -164.035 128.289 PRESSAVG: 3324600 -22.2908 -12.2976 -24.2149 -12.2975 32.9755 17.3987 -24.2149 17.3987 -18.2238 GPRESSAVG: 3324600 -23.7755 -11.74 -23.3115 -14.6075 33.5289 17.3084 -26.1037 17.9416 -17.1333 TIMING: 3324600 CPU: 10573.7, 0.00314712/step Wall: 10573.7, 0.00314712/step, 1.46464 hours remaining, 240.542969 MB of memory in use. ENERGY: 3324600 3986.9675 20475.4445 14399.0876 239.0747 -203468.4615 2578.4183 0.0000 0.0000 52015.3212 -109774.1476 298.9328 -161789.4688 -109408.9710 297.6448 -47.6844 -17.7963 760593.4046 -2.5130 -2.4600 PRESSURE: 3324800 0.35312 -35.0949 137.072 -35.0942 -59.9158 45.8664 137.072 45.8659 203.122 GPRESSURE: 3324800 16.6024 24.6644 157.09 -187.754 24.2816 23.3754 123.082 141.284 184.064 PRESSAVG: 3324800 -42.8295 44.1845 2.94043 44.1845 30.0512 -6.01799 2.94049 -6.01798 13.558 GPRESSAVG: 3324800 -42.8916 45.3371 3.66317 44.1313 30.9103 -6.26509 2.8072 -2.26502 12.6378 TIMING: 3324800 CPU: 10574.3, 0.00314818/step Wall: 10574.3, 0.00314818/step, 1.46495 hours remaining, 240.542969 MB of memory in use. ENERGY: 3324800 4042.0773 20523.6259 14444.1295 239.2982 -203812.7172 2632.7755 0.0000 0.0000 52211.4095 -109719.4011 300.0597 -161930.8106 -109349.4241 298.4707 47.8532 74.9827 761871.6092 0.2599 0.2189 PRESSURE: 3325000 -183.507 -162.551 36.9204 -162.552 89.3698 -3.5384 36.9206 -3.53811 282.481 GPRESSURE: 3325000 -113.439 -9.17255 64.125 -25.5949 144.566 8.07988 26.5145 -59.6509 253.808 PRESSAVG: 3325000 -38.9205 -4.45381 -21.996 -4.45383 29.3351 -25.8242 -21.9959 -25.8243 -18.2514 GPRESSAVG: 3325000 -38.5211 -5.43117 -22.284 -5.44893 28.7482 -24.6754 -19.3306 -29.9464 -18.3776 TIMING: 3325000 CPU: 10574.9, 0.00315133/step Wall: 10574.9, 0.00315133/step, 1.46625 hours remaining, 240.542969 MB of memory in use. ENERGY: 3325000 4032.4743 20570.7712 14408.4379 236.5105 -203484.1879 2557.8811 0.0000 0.0000 52009.9438 -109668.1691 298.9019 -161678.1128 -109315.0860 298.7544 62.7812 94.9783 762119.5135 -9.2789 -9.3835 PRESSURE: 3325200 152.059 57.7544 160.559 57.7539 80.25 -124.695 160.559 -124.695 387.54 GPRESSURE: 3325200 139.245 201.088 247.861 109.394 119.905 -78.5203 80.7834 -27.246 431.82 PRESSAVG: 3325200 57.5129 11.3383 -23.0968 11.3383 -91.7182 -47.4455 -23.0968 -47.4455 10.8818 GPRESSAVG: 3325200 56.7429 10.7956 -23.1317 12.1281 -90.4314 -46.4641 -24.7597 -46.9858 10.2031 TIMING: 3325200 CPU: 10575.6, 0.00316357/step Wall: 10575.6, 0.00316357/step, 1.47176 hours remaining, 240.542969 MB of memory in use. ENERGY: 3325200 3990.8447 20579.4761 14412.6241 234.7350 -203486.3639 2682.9508 0.0000 0.0000 51771.1784 -109814.5548 297.5297 -161585.7332 -109446.7523 298.3530 206.6164 230.3234 760796.8413 -7.7745 -7.8285 PRESSURE: 3325400 37.8874 -113.866 -18.06 -113.865 -141.848 -18.0742 -18.0602 -18.074 -198.002 GPRESSURE: 3325400 113.34 -88.8233 -70.4835 -257.085 -137.689 -25.6207 -32.201 0.471529 -166.158 PRESSAVG: 3325400 25.6505 34.273 -24.8705 34.273 -9.00965 -22.2769 -24.8705 -22.2768 -31.8481 GPRESSAVG: 3325400 26.2192 36.125 -26.1604 32.2262 -10.4193 -23.5995 -25.4477 -22.9642 -31.1585 TIMING: 3325400 CPU: 10576.2, 0.00316012/step Wall: 10576.2, 0.00316012/step, 1.46998 hours remaining, 240.542969 MB of memory in use. ENERGY: 3325400 3983.4057 20529.8679 14378.2103 237.9317 -203366.2075 2514.3992 0.0000 0.0000 51799.6469 -109922.7458 297.6933 -161722.3928 -109569.4026 298.6217 -100.6543 -63.5021 763855.8757 -5.0691 -5.1195 PRESSURE: 3325600 -6.68067 294.544 -95.5092 294.543 274.626 -200.055 -95.5089 -200.055 64.668 GPRESSURE: 3325600 -3.29434 247.794 -116.334 384.138 360.221 -231.743 -99.4619 -31.5926 78.4198 PRESSAVG: 3325600 35.7215 33.6953 -5.65242 33.6953 -9.3391 -87.5829 -5.65238 -87.583 10.2307 GPRESSAVG: 3325600 35.4246 34.1192 -3.15199 33.4557 -8.74353 -86.9802 -5.83831 -86.5675 9.80539 TIMING: 3325600 CPU: 10576.8, 0.00314123/step Wall: 10576.8, 0.00314123/step, 1.46102 hours remaining, 240.542969 MB of memory in use. ENERGY: 3325600 4005.8076 20602.4501 14485.9004 231.8032 -203590.0169 2612.7818 0.0000 0.0000 51988.3038 -109662.9700 298.7775 -161651.2738 -109304.7686 298.0392 110.8711 145.1154 762186.4835 12.2044 12.1621 PRESSURE: 3325800 273.715 -100.947 -179.171 -100.948 343.747 -52.9438 -179.171 -52.9428 86.1246 GPRESSURE: 3325800 300.574 -70.3016 -133.219 -114.898 366.483 -54.6084 -96.9585 -39.4109 122.526 PRESSAVG: 3325800 -77.5607 -3.89485 -13.3493 -3.89483 46.5788 -67.9897 -13.3493 -67.9897 7.10536 GPRESSAVG: 3325800 -77.8348 -4.91905 -12.9676 -1.16472 46.6432 -67.8097 -14.2401 -67.5875 7.36978 TIMING: 3325800 CPU: 10577.5, 0.00316885/step Wall: 10577.5, 0.00316885/step, 1.47369 hours remaining, 240.542969 MB of memory in use. ENERGY: 3325800 3990.1501 20653.1021 14407.0151 236.5476 -203908.0322 2840.6951 0.0000 0.0000 51972.3964 -109808.1257 298.6861 -161780.5222 -109447.7354 298.4728 234.5287 263.1943 760237.7319 -7.9588 -7.9406 PRESSURE: 3326000 205.804 72.5959 62.033 72.5961 318.871 -7.88352 62.0324 -7.88409 407.607 GPRESSURE: 3326000 281.952 -27.6768 50.7423 128.095 374.259 -175.398 -18.038 -11.1731 375.879 PRESSAVG: 3326000 12.4308 -30.3633 19.8823 -30.3633 -6.03255 -19.0481 19.8823 -19.0481 10.7159 GPRESSAVG: 3326000 12.3066 -32.8099 19.3454 -29.8471 -6.03794 -18.0452 17.2466 -20.0032 11.0983 TIMING: 3326000 CPU: 10578.1, 0.00315911/step Wall: 10578.1, 0.00315911/step, 1.46899 hours remaining, 240.542969 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: 3326000 3969.5970 20467.6457 14432.8866 232.8555 -203798.3230 2914.0515 0.0000 0.0000 51937.2992 -109843.9875 298.4844 -161781.2866 -109478.0409 297.9449 310.7608 344.0301 761818.5401 5.7047 5.7890 PRESSURE: 3326200 107.102 -12.1943 -2.67952 -12.1953 211.229 -291.103 -2.67908 -291.103 7.00214 GPRESSURE: 3326200 204.159 45.6894 -48.1557 -25.3036 231.25 -204.911 64.3989 -322.711 -9.89017 PRESSAVG: 3326200 -29.0346 -15.9484 -1.16465 -15.9484 36.9008 2.82914 -1.16462 2.8291 7.13068 GPRESSAVG: 3326200 -28.9147 -14.7369 -1.97297 -17.7949 37.6211 2.51366 1.57354 2.71464 6.43183 TIMING: 3326200 CPU: 10578.7, 0.00314954/step Wall: 10578.7, 0.00314954/step, 1.46436 hours remaining, 240.542969 MB of memory in use. ENERGY: 3326200 3937.5248 20606.4318 14362.5363 262.0055 -203863.5477 2860.0900 0.0000 0.0000 51949.8004 -109885.1588 298.5562 -161834.9592 -109526.5991 298.2755 108.4444 141.8394 762162.0368 4.9990 5.0461 PRESSURE: 3326400 366.461 -203.702 15.4267 -203.702 163.552 -26.8894 15.4271 -26.8884 36.9516 GPRESSURE: 3326400 382.737 -145.545 -36.2999 -64.4337 203.682 -37.3351 11.4291 -93.2386 55.1754 PRESSAVG: 3326400 3.56851 23.5386 -45.4257 23.5386 -3.05847 1.22158 -45.4257 1.22155 -6.7875 GPRESSAVG: 3326400 3.68662 25.8699 -45.0025 23.0542 -3.70908 2.11221 -43.754 0.50903 -5.96048 TIMING: 3326400 CPU: 10579.3, 0.00314634/step Wall: 10579.3, 0.00314634/step, 1.4627 hours remaining, 240.542969 MB of memory in use. ENERGY: 3326400 3996.4390 20558.3985 14391.8002 259.1098 -204006.0531 3021.6882 0.0000 0.0000 51671.1620 -110107.4554 296.9549 -161778.6174 -109748.6661 298.0284 188.9884 213.8649 761086.5791 -2.0925 -1.9943 PRESSURE: 3326600 -58.67 148.503 142.72 148.504 -280.458 119.191 142.721 119.191 -220.96 GPRESSURE: 3326600 -43.7327 94.6762 231.123 269.906 -282.092 70.1853 95.1121 178.359 -138.375 PRESSAVG: 3326600 -43.7516 32.3184 44.2273 32.3183 32.964 -23.4167 44.2273 -23.4168 0.145136 GPRESSAVG: 3326600 -42.8094 30.3311 43.8492 34.7071 32.8619 -24.2534 41.9488 -23.436 -0.874409 TIMING: 3326600 CPU: 10580, 0.00315152/step Wall: 10580, 0.00315152/step, 1.46493 hours remaining, 240.542969 MB of memory in use. ENERGY: 3326600 3950.2890 20545.5291 14402.5882 227.1855 -203923.2734 2714.7792 0.0000 0.0000 51917.1475 -110165.7548 298.3686 -162082.9023 -109800.4266 297.8425 -186.6961 -154.7333 761616.8350 -3.5475 -3.6073 PRESSURE: 3326800 -90.0574 -35.5207 10.0401 -35.5207 -17.0822 115.7 10.0399 115.7 -385.093 GPRESSURE: 3326800 -168.308 -17.5731 39.6807 -72.6319 75.0381 80.1671 -137.329 154.388 -321.41 PRESSAVG: 3326800 -35.14 14.3522 11.3984 14.3522 -21.1258 -24.2179 11.3983 -24.218 -4.16729 GPRESSAVG: 3326800 -35.8333 13.8162 10.677 15.3863 -20.7511 -24.7127 12.6191 -22.7408 -4.09939 TIMING: 3326800 CPU: 10580.6, 0.00313136/step Wall: 10580.6, 0.00313136/step, 1.45539 hours remaining, 240.542969 MB of memory in use. ENERGY: 3326800 4016.4639 20441.2910 14449.8730 235.6706 -203928.5529 2900.6206 0.0000 0.0000 51905.1159 -109979.5180 298.2994 -161884.6339 -109609.9815 297.9170 -164.0776 -138.2265 761610.8577 -20.1444 -20.2279 PRESSURE: 3327000 41.8113 108.106 213.068 108.106 -197.282 158.145 213.067 158.145 -656.283 GPRESSURE: 3327000 -32.4453 134.295 167.855 86.5553 -151.148 108.826 65.043 116.158 -553.892 PRESSAVG: 3327000 -2.26361 -2.71704 16.8861 -2.71707 23.3033 -12.3337 16.8861 -12.3338 6.97056 GPRESSAVG: 3327000 -2.27015 -3.64729 17.3891 -3.32895 23.7208 -12.529 18.0824 -11.9027 7.23261 TIMING: 3327000 CPU: 10581.2, 0.00313328/step Wall: 10581.2, 0.00313328/step, 1.4561 hours remaining, 240.542969 MB of memory in use. ENERGY: 3327000 4000.2129 20640.3515 14416.3456 235.1873 -203772.6724 2702.6932 0.0000 0.0000 51821.5576 -109956.3243 297.8192 -161777.8819 -109600.5031 298.0389 -270.5844 -245.8283 761106.0279 9.3367 9.5611 PRESSURE: 3327200 -300 50.3656 90.9274 50.3656 53.3762 -81.5933 90.9276 -81.5926 -0.390003 GPRESSURE: 3327200 -302.245 51.0404 127.692 89.7076 128.021 -26.0585 79.6686 -45.8742 5.22002 PRESSAVG: 3327200 -40.4587 -19.1478 -42.0132 -19.1479 14.2482 -4.43724 -42.0132 -4.43718 -6.83881 GPRESSAVG: 3327200 -39.7979 -18.3449 -41.44 -19.4578 12.6697 -5.21884 -42.1521 -4.53124 -5.43137 TIMING: 3327200 CPU: 10581.9, 0.00314254/step Wall: 10581.9, 0.00314254/step, 1.46024 hours remaining, 240.542969 MB of memory in use. ENERGY: 3327200 3961.0861 20416.6556 14454.8305 230.9289 -203471.3610 2379.9251 0.0000 0.0000 52021.1343 -110006.8003 298.9662 -162027.9347 -109640.1011 298.1574 -82.3378 -56.3349 761441.6075 -11.0164 -10.8532 PRESSURE: 3327400 -179.154 161.925 149.989 161.925 -42.3756 -18.5687 149.989 -18.5674 -441.42 GPRESSURE: 3327400 -156.449 143.917 89.3543 122.856 21.8573 -14.8333 147.355 -96.4695 -418.972 PRESSAVG: 3327400 33.314 65.4581 54.0068 65.458 12.443 5.23996 54.0067 5.23995 3.05416 GPRESSAVG: 3327400 34.1287 64.9713 52.802 65.5151 13.2807 6.49761 51.6774 4.79231 1.61776 TIMING: 3327400 CPU: 10582.5, 0.00313959/step Wall: 10582.5, 0.00313959/step, 1.45869 hours remaining, 240.542969 MB of memory in use. ENERGY: 3327400 4044.1608 20407.4417 14416.3575 224.3504 -203378.2703 2557.4465 0.0000 0.0000 52059.6811 -109668.8324 299.1877 -161728.5135 -109301.7704 298.5425 -220.9832 -184.5211 761256.3525 16.2704 16.3424 PRESSURE: 3327600 -210.765 79.6307 -21.6648 79.6304 17.18 24.261 -21.664 24.261 -303.77 GPRESSURE: 3327600 -171.984 116.254 4.40967 56.1202 22.2298 37.7843 55.3431 -59.7246 -258.795 PRESSAVG: 3327600 -25.5718 18.2865 -1.8014 18.2866 41.1007 -37.902 -1.80136 -37.902 18.6537 GPRESSAVG: 3327600 -25.7347 19.3871 -0.881278 18.1349 40.8558 -38.3392 0.0227206 -37.9309 19.0745 TIMING: 3327600 CPU: 10583.1, 0.00315273/step Wall: 10583.1, 0.00315273/step, 1.46462 hours remaining, 240.542969 MB of memory in use. ENERGY: 3327600 3960.6144 20696.4229 14440.7557 244.9259 -203177.5652 2568.8979 0.0000 0.0000 51811.7799 -109454.1685 297.7630 -161265.9484 -109109.5920 298.7534 -165.7851 -136.1831 762359.4631 11.3942 11.3985 PRESSURE: 3327800 540.566 63.4002 -165.254 63.4005 24.3612 -129.652 -165.254 -129.652 409.587 GPRESSURE: 3327800 534.806 -57.4703 -149.332 67.6832 182.559 -74.4613 -6.2764 -96.3636 346.963 PRESSAVG: 3327800 52.4361 10.5165 19.727 10.5165 1.28826 -16.1118 19.7271 -16.1118 32.5174 GPRESSAVG: 3327800 50.5637 9.57093 19.7888 9.87271 2.83727 -16.2399 18.5614 -16.59 33.2915 TIMING: 3327800 CPU: 10583.7, 0.00315031/step Wall: 10583.7, 0.00315031/step, 1.46332 hours remaining, 240.542969 MB of memory in use. ENERGY: 3327800 3869.7826 20538.1120 14326.6322 222.3218 -203116.8229 2665.7806 0.0000 0.0000 51945.6132 -109548.5805 298.5322 -161494.1937 -109176.9835 299.2677 324.8383 354.7760 762642.1132 28.7473 28.8975 PRESSURE: 3328000 -268.867 -65.9921 308.082 -65.9919 283.164 89.534 308.083 89.5331 -12.9362 GPRESSURE: 3328000 -173.591 -138.095 252.425 -46.9072 190.542 118.104 212.328 22.9911 63.9895 PRESSAVG: 3328000 -4.57075 -8.70778 -55.27 -8.70783 -9.66637 -41.5771 -55.2701 -41.5772 9.46693 GPRESSAVG: 3328000 -2.74984 -8.88063 -54.2396 -8.87062 -11.1286 -42.5038 -55.5884 -42.2819 9.27954 TIMING: 3328000 CPU: 10584.4, 0.00315911/step Wall: 10584.4, 0.00315911/step, 1.46723 hours remaining, 240.542969 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: 3328000 3989.5863 20560.3151 14370.6703 222.7628 -202998.9150 2428.9110 0.0000 0.0000 51856.2267 -109570.4429 298.0184 -161426.6695 -109213.7092 298.7596 0.4535 26.9804 761321.2089 -1.5901 -1.5330 PRESSURE: 3328200 -200.277 -168.41 -236.7 -168.41 -199.772 6.89326 -236.7 6.89301 -43.127 GPRESSURE: 3328200 -182.654 -31.0049 -213.416 -91.3983 -129.166 -62.2532 -184.019 -140.107 -33.9625 PRESSAVG: 3328200 15.0122 23.9121 1.73798 23.912 17.082 -14.8874 1.73796 -14.8875 -13.0576 GPRESSAVG: 3328200 15.2341 26.0339 -0.0497661 22.8275 17.7477 -15.2531 3.05334 -15.1629 -14.7961 TIMING: 3328200 CPU: 10585, 0.00317079/step Wall: 10585, 0.00317079/step, 1.47248 hours remaining, 240.542969 MB of memory in use. ENERGY: 3328200 4010.8181 20561.1908 14475.1326 239.5433 -203394.8081 2654.1852 0.0000 0.0000 52140.8809 -109313.0571 299.6544 -161453.9380 -108943.6235 299.0456 -147.7254 -115.2610 760630.4580 6.3455 6.0619 LDB: ============= START OF LOAD BALANCING ============== 10597.5 LDB: ============== END OF LOAD BALANCING =============== 10597.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10597.5 LDB: ============= START OF LOAD BALANCING ============== 10597.8 LDB: Largest compute 7070 load 0.035614 is 18.2% of average load 0.195415 LDB: Average compute 0.004392 is 2.2% of average load 0.195415 LDB: TIME 10597.8 LOAD: AVG 0.195415 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.145 MB LDB: TIME 10597.8 LOAD: AVG 0.195415 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.242 MB LDB: TIME 10597.8 LOAD: AVG 0.195415 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.242 MB LDB: ============== END OF LOAD BALANCING =============== 10597.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10597.8 PRESSURE: 3328400 -99.4278 -41.75 7.59136 -41.7515 -120.054 142.984 7.59114 142.984 494.069 GPRESSURE: 3328400 -46.4614 19.3512 -88.7054 -15.8555 15.8905 110.956 -110.789 164.616 386.555 PRESSAVG: 3328400 -15.5923 46.1671 -4.73524 46.1672 1.96303 20.0706 -4.73527 20.0705 8.40279 GPRESSAVG: 3328400 -14.3385 46.0508 -4.7419 47.6033 0.977008 22.0894 -5.70663 21.5236 8.02947 TIMING: 3328400 CPU: 10585.7, 0.00322426/step Wall: 10585.7, 0.00322426/step, 1.49713 hours remaining, 241.257812 MB of memory in use. ENERGY: 3328400 3975.0302 20517.0907 14482.9530 244.4386 -203130.3335 2496.9274 0.0000 0.0000 51973.4874 -109440.4063 298.6923 -161413.8936 -109076.6529 299.0479 91.5292 118.6612 761976.1750 -1.7422 -1.7773 PRESSURE: 3328600 -175.075 344.465 -48.4789 344.466 98.203 40.8737 -48.4797 40.8728 -46.4289 GPRESSURE: 3328600 -94.2798 360.854 -51.2676 269.747 11.7754 8.89221 37.0587 28.0574 49.3198 PRESSAVG: 3328600 9.079 32.9938 -50.9632 32.9938 -24.2137 48.247 -50.9632 48.247 -17.1732 GPRESSAVG: 3328600 7.09258 31.1922 -49.7292 33.2301 -23.8078 48.2508 -51.4581 47.6759 -15.7917 TIMING: 3328600 CPU: 10586.3, 0.00314761/step Wall: 10586.3, 0.00314761/step, 1.46137 hours remaining, 241.460938 MB of memory in use. ENERGY: 3328600 4047.4140 20500.8171 14475.1394 253.5961 -203209.9213 2654.6760 0.0000 0.0000 52123.5418 -109154.7369 299.5547 -161278.2787 -108786.4558 299.6567 -41.1003 -11.0615 761447.1655 -10.7693 -10.8356 PRESSURE: 3328800 99.0409 -174.678 -276.741 -174.679 -100.283 -79.9408 -276.741 -79.9408 98.3271 GPRESSURE: 3328800 183.54 -133.699 -243.814 -182.626 -93.6978 -93.822 -177.072 -122.959 103.096 PRESSAVG: 3328800 -31.2397 17.3512 -51.3571 17.3512 31.1215 -0.945281 -51.3571 -0.945226 20.9371 GPRESSAVG: 3328800 -30.4469 19.1689 -50.7255 15.4307 31.0375 -2.13408 -50.061 -0.447108 19.7832 TIMING: 3328800 CPU: 10586.9, 0.00313345/step Wall: 10586.9, 0.00313345/step, 1.45462 hours remaining, 241.460938 MB of memory in use. ENERGY: 3328800 3954.3029 20680.1498 14404.8565 238.5662 -203375.1985 2669.2583 0.0000 0.0000 51997.3522 -109430.7127 298.8295 -161428.0649 -109075.1996 299.3983 32.3616 64.3129 761487.2978 6.9396 6.7913 PRESSURE: 3329000 -218.829 10.6139 -82.4069 10.6139 -194 56.6469 -82.4072 56.6459 136.535 GPRESSURE: 3329000 -207.781 20.2076 -49.0056 39.6323 -98.103 56.0545 -144.465 56.5431 131.411 PRESSAVG: 3329000 16.2666 -3.98369 -52.7042 -3.98368 26.8046 -10.4619 -52.7042 -10.4619 -17.015 GPRESSAVG: 3329000 16.3469 -5.35072 -53.5485 -1.60161 27.4331 -11.4366 -52.6368 -10.2585 -17.4721 TIMING: 3329000 CPU: 10587.5, 0.00315281/step Wall: 10587.5, 0.00315281/step, 1.46343 hours remaining, 241.460938 MB of memory in use. ENERGY: 3329000 4005.6578 20441.9995 14440.0254 254.7597 -203336.0972 2541.9870 0.0000 0.0000 52178.8316 -109472.8363 299.8725 -161651.6678 -109093.4534 299.0733 -92.0979 -58.1575 763269.7674 8.6854 8.7693 PRESSURE: 3329200 -63.3705 83.6134 -38.3031 83.6125 230.782 -54.8539 -38.3024 -54.8543 140.593 GPRESSURE: 3329200 166.197 148.924 -59.9228 44.4373 107.491 -70.2466 -15.0223 10.0435 123.389 PRESSAVG: 3329200 27.0373 -3.98053 -25.2625 -3.98055 34.8881 8.66735 -25.2625 8.66739 0.109139 GPRESSAVG: 3329200 26.8198 -4.70079 -25.9085 -5.45023 34.5756 9.84401 -24.175 8.42287 0.499592 TIMING: 3329200 CPU: 10588.2, 0.00313659/step Wall: 10588.2, 0.00313659/step, 1.45573 hours remaining, 241.460938 MB of memory in use. ENERGY: 3329200 3949.7594 20169.6496 14400.5919 251.0753 -203243.0074 2826.5412 0.0000 0.0000 52192.6439 -109452.7462 299.9518 -161645.3900 -109087.0207 299.1369 102.6680 132.3592 762083.9757 20.6782 20.6317 PRESSURE: 3329400 -511.297 -35.4164 -97.861 -35.4163 -39.009 -175.435 -97.8602 -175.435 -204.781 GPRESSURE: 3329400 -438.495 -87.382 -161.155 -94.1027 -36.3293 -126.723 -130.59 -127.628 -192.976 PRESSAVG: 3329400 -34.6365 -38.9787 -0.443193 -38.9787 -18.1594 -14.7486 -0.443192 -14.7486 -2.52394 GPRESSAVG: 3329400 -34.7451 -38.6162 -2.04425 -36.4328 -18.0502 -14.5383 -2.48661 -13.9146 -2.1651 TIMING: 3329400 CPU: 10588.8, 0.00312895/step Wall: 10588.8, 0.00312895/step, 1.45201 hours remaining, 241.460938 MB of memory in use. ENERGY: 3329400 4004.5766 20463.4921 14499.5955 241.3647 -203159.1995 2657.6006 0.0000 0.0000 51852.4107 -109440.1593 297.9965 -161292.5700 -109089.6870 298.7183 -251.6957 -222.5999 762697.6461 -18.4400 -18.3201 PRESSURE: 3329600 -160.299 -46.3403 66.0026 -46.3404 -347.694 -49.6439 66.0018 -49.643 294.563 GPRESSURE: 3329600 -184.412 -102.055 107.509 -21.2333 -265.662 -114.993 75.8459 -184.062 315.444 PRESSAVG: 3329600 -8.27589 -13.122 -38.2852 -13.122 9.79559 5.87312 -38.2853 5.87317 13.7232 GPRESSAVG: 3329600 -7.8846 -14.7597 -36.481 -14.9039 9.56105 5.57345 -37.4005 4.74673 13.0331 TIMING: 3329600 CPU: 10589.4, 0.00314765/step Wall: 10589.4, 0.00314765/step, 1.46051 hours remaining, 241.460938 MB of memory in use. ENERGY: 3329600 3998.5889 20512.1983 14451.3954 250.1551 -203232.8887 2511.2947 0.0000 0.0000 52081.5259 -109427.7303 299.3132 -161509.2563 -109068.0983 299.0354 -71.1434 -44.8766 761393.2802 5.0810 4.9032 PRESSURE: 3329800 -119.134 20.6526 -241.791 20.6523 -93.9248 115.69 -241.791 115.688 120.327 GPRESSURE: 3329800 -9.89094 48.3238 -228.809 21.6887 -137.647 116.128 -256.323 184.896 127.631 PRESSAVG: 3329800 27.4562 9.47621 -10.2144 9.47617 -9.61441 7.57103 -10.2143 7.5711 10.419 GPRESSAVG: 3329800 26.4875 10.798 -10.2737 10.947 -10.7337 7.49851 -12.1392 8.71963 12.3232 TIMING: 3329800 CPU: 10590.1, 0.00314974/step Wall: 10590.1, 0.00314974/step, 1.4613 hours remaining, 241.460938 MB of memory in use. ENERGY: 3329800 4062.7636 20598.4529 14486.0180 249.1309 -203100.1174 2303.2063 0.0000 0.0000 51882.9435 -109517.6022 298.1720 -161400.5457 -109162.1938 298.9108 -30.9105 -6.6358 760326.3194 9.4203 9.3590 PRESSURE: 3330000 -354.278 -62.0931 73.7494 -62.0935 -346.289 180.598 73.7493 180.598 -259.002 GPRESSURE: 3330000 -323.142 -14.6823 88.9084 6.1767 -305.765 234.729 104.917 118.507 -238.572 PRESSAVG: 3330000 8.85456 19.2258 -26.0366 19.2259 -2.29592 47.866 -26.0366 47.8659 17.0871 GPRESSAVG: 3330000 9.51435 20.4194 -26.1699 18.525 -1.45942 47.7552 -24.6506 47.2052 15.8256 TIMING: 3330000 CPU: 10590.7, 0.00314527/step Wall: 10590.7, 0.00314527/step, 1.45906 hours remaining, 241.460938 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: 3330000 3948.4734 20657.9202 14525.6391 254.2689 -203099.1088 2351.0495 0.0000 0.0000 51943.8460 -109417.9116 298.5220 -161361.7576 -109051.4805 298.8881 -319.8563 -289.1597 761674.3014 7.8819 7.9602 PRESSURE: 3330200 -311.636 186.878 -33.532 186.878 -125.342 -20.8891 -33.5307 -20.8884 502.363 GPRESSURE: 3330200 -266.585 150.545 -17.8201 215.648 -147.423 -1.63374 -85.0344 98.7514 566.269 PRESSAVG: 3330200 -41.6875 -28.0612 -11.3281 -28.0612 43.4955 31.2375 -11.3281 31.2376 2.48248 GPRESSAVG: 3330200 -41.7993 -27.0021 -11.0786 -29.8454 42.8864 32.8212 -12.868 29.105 3.16973 TIMING: 3330200 CPU: 10591.3, 0.0031413/step Wall: 10591.3, 0.0031413/step, 1.45704 hours remaining, 241.460938 MB of memory in use. ENERGY: 3330200 3925.2480 20542.4879 14494.6274 251.1693 -203226.3513 2553.7928 0.0000 0.0000 51957.4513 -109501.5747 298.6002 -161459.0260 -109130.2510 298.8434 21.7948 50.7535 761708.8647 1.4302 1.4190 PRESSURE: 3330400 -276.94 82.8296 108.699 82.829 -171.566 -179.69 108.699 -179.689 403.149 GPRESSURE: 3330400 -98.5198 175.162 108.971 -30.7204 -115.458 -208.592 117.291 -126.254 279.592 PRESSAVG: 3330400 -32.7608 71.9589 6.99568 71.9588 1.22836 34.7575 6.99571 34.7575 5.71685 GPRESSAVG: 3330400 -31.7788 71.4138 6.37503 73.1319 1.52217 34.0309 9.18798 37.4393 4.12525 TIMING: 3330400 CPU: 10591.9, 0.00314239/step Wall: 10591.9, 0.00314239/step, 1.45737 hours remaining, 241.460938 MB of memory in use. ENERGY: 3330400 4005.2355 20549.5094 14478.9596 253.8458 -203314.7376 2348.1222 0.0000 0.0000 52061.2189 -109617.8461 299.1965 -161679.0649 -109261.3867 299.2072 -15.1189 21.8714 760456.5383 -8.6052 -8.7105 PRESSURE: 3330600 -25.4395 -32.1459 96.1623 -32.1459 -34.7648 -78.6946 96.1625 -78.6938 -272.959 GPRESSURE: 3330600 -64.909 -96.3921 12.677 43.4071 48.7656 -106.717 -43.2063 -155.09 -238.782 PRESSAVG: 3330600 -54.4347 44.3948 -53.761 44.3949 12.5891 -5.41761 -53.761 -5.41755 1.30851 GPRESSAVG: 3330600 -54.0855 42.806 -55.2348 44.9147 10.7871 -7.05885 -54.9885 -6.22541 2.50875 TIMING: 3330600 CPU: 10592.6, 0.00312826/step Wall: 10592.6, 0.00312826/step, 1.45064 hours remaining, 241.460938 MB of memory in use. ENERGY: 3330600 3958.4884 20485.2891 14421.2361 235.1743 -203460.0110 2670.3022 0.0000 0.0000 52098.5689 -109590.9521 299.4112 -161689.5209 -109226.8169 298.8213 -111.0543 -84.9752 760979.9292 -13.5124 -13.5966 PRESSURE: 3330800 -180.746 17.6776 36.9921 17.6773 -311.051 -6.11034 36.992 -6.10972 -516.142 GPRESSURE: 3330800 -168.755 117.823 83.2866 -10.8052 -307.714 58.0257 105.411 78.048 -464.849 PRESSAVG: 3330800 36.6619 -26.1513 57.0324 -26.1514 -40.2464 38.8295 57.0325 38.8294 24.7665 GPRESSAVG: 3330800 35.6664 -24.2627 57.4077 -29.1494 -39.112 39.356 61.7985 39.5938 24.6335 TIMING: 3330800 CPU: 10593.2, 0.00314922/step Wall: 10593.2, 0.00314922/step, 1.46019 hours remaining, 241.460938 MB of memory in use. ENERGY: 3330800 3943.5466 20509.4430 14421.3757 250.6843 -203226.6467 2578.4066 0.0000 0.0000 51777.6704 -109745.5201 297.5670 -161523.1905 -109384.6020 298.8342 -335.9798 -313.7723 762868.2526 7.0607 7.0626 PRESSURE: 3331000 -176.83 41.6608 189.66 41.6595 94.3622 -97.4197 189.66 -97.4188 -257.047 GPRESSURE: 3331000 -193.829 79.9837 219.825 151.194 161.312 -41.9108 321.925 -162.208 -217.071 PRESSAVG: 3331000 0.396265 1.25671 -5.54441 1.25668 -46.008 -8.53717 -5.54447 -8.53723 -0.972771 GPRESSAVG: 3331000 1.32643 -0.463433 -4.85728 4.21988 -45.7576 -8.49026 -6.66399 -10.1215 -1.64532 TIMING: 3331000 CPU: 10593.8, 0.00316857/step Wall: 10593.8, 0.00316857/step, 1.46898 hours remaining, 241.460938 MB of memory in use. ENERGY: 3331000 3978.7274 20583.1127 14468.1209 254.1686 -203729.9009 2800.9444 0.0000 0.0000 51914.7719 -109730.0550 298.3549 -161644.8270 -109379.5945 298.3845 -113.1715 -83.1960 762475.9368 -15.5282 -15.3588 PRESSURE: 3331200 137.322 87.8233 161.223 87.8229 -2.29359 -122.282 161.222 -122.281 -61.375 GPRESSURE: 3331200 226.896 104.363 188.293 96.8703 10.6776 -126.874 116.71 31.2012 -68.489 PRESSAVG: 3331200 -43.2673 -59.6952 28.3161 -59.6952 68.2783 46.5382 28.3161 46.5382 -3.18637 GPRESSAVG: 3331200 -42.7628 -57.3994 27.333 -58.8596 67.3827 47.1133 29.757 46.2799 -2.32808 TIMING: 3331200 CPU: 10594.5, 0.00315939/step Wall: 10594.5, 0.00315939/step, 1.46455 hours remaining, 241.460938 MB of memory in use. ENERGY: 3331200 4000.9506 20249.2265 14472.3814 239.8619 -203653.3482 2895.9304 0.0000 0.0000 51950.4969 -109844.5004 298.5602 -161794.9973 -109489.9749 298.1361 24.5511 56.3614 762138.5510 7.2748 7.4306 PRESSURE: 3331400 133.419 49.1445 -45.0643 49.1445 89.3802 55.2593 -45.0648 55.2594 -52.2719 GPRESSURE: 3331400 123.624 87.2253 -37.0261 32.5834 132.227 21.878 -117.524 199.409 18.849 PRESSAVG: 3331400 -2.25421 -12.2996 16.3653 -12.2996 17.5825 30.5544 16.3652 30.5545 -10.869 GPRESSAVG: 3331400 -3.73024 -14.2709 16.8822 -13.5599 18.4256 30.9688 12.0179 32.8986 -10.1415 TIMING: 3331400 CPU: 10595.1, 0.0031624/step Wall: 10595.1, 0.0031624/step, 1.46577 hours remaining, 241.460938 MB of memory in use. ENERGY: 3331400 3926.3317 20391.7574 14411.2328 238.8840 -203291.8001 2498.9053 0.0000 0.0000 51882.8010 -109941.8879 298.1712 -161824.6889 -109598.9822 297.8753 56.8425 91.5666 759634.2503 1.4864 1.5179 PRESSURE: 3331600 144.947 93.6214 52.5855 93.6215 7.67539 -21.539 52.5861 -21.5377 -76.6319 GPRESSURE: 3331600 150.989 53.8229 32.0466 145.811 55.3293 -41.3589 37.0263 -0.246434 -44.5409 PRESSAVG: 3331600 9.39484 -5.68685 6.35681 -5.68686 -4.1483 42.2334 6.35679 42.2333 3.67041 GPRESSAVG: 3331600 10.6155 -4.65273 6.47551 -4.72164 -4.20436 42.0832 6.87778 41.6522 2.1463 TIMING: 3331600 CPU: 10595.7, 0.00313715/step Wall: 10595.7, 0.00313715/step, 1.4539 hours remaining, 241.460938 MB of memory in use. ENERGY: 3331600 3896.6256 20353.2496 14472.6024 236.9111 -203465.0836 2579.7716 0.0000 0.0000 51728.0114 -110197.9118 297.2816 -161925.9232 -109839.6033 297.4480 25.3301 53.9259 759581.6359 2.9723 2.8525 PRESSURE: 3331800 -17.6064 -32.0153 -198.806 -32.0139 73.2773 -166.711 -198.805 -166.712 304.254 GPRESSURE: 3331800 38.0869 -57.5357 -225.155 -79.192 79.4232 -152.738 -119.318 -139.628 334.628 PRESSAVG: 3331800 -7.3333 -40.6756 -62.1119 -40.6756 22.8976 28.7242 -62.1119 28.7241 9.10311 GPRESSAVG: 3331800 -8.67468 -41.4895 -61.2737 -40.0791 22.7101 28.0768 -59.0339 28.4019 10.7456 TIMING: 3331800 CPU: 10596.3, 0.00312965/step Wall: 10596.3, 0.00312965/step, 1.45025 hours remaining, 241.460938 MB of memory in use. ENERGY: 3331800 3930.1215 20453.6244 14395.9478 242.8572 -203331.9124 2296.2102 0.0000 0.0000 51995.5895 -110017.5618 298.8194 -162013.1513 -109661.9917 297.4941 119.9749 150.7128 758288.4251 8.2225 8.2603 PRESSURE: 3332000 0.844986 -7.05632 8.59766 -7.05675 -249.751 184.428 8.59775 184.428 187.912 GPRESSURE: 3332000 119.485 -34.6286 -9.56658 -11.5646 -192.798 125.424 -98.8937 172.676 106.703 PRESSAVG: 3332000 -3.85161 22.7448 -34.7087 22.7448 14.9521 -8.78677 -34.7087 -8.78681 -4.68527 GPRESSAVG: 3332000 -2.61234 22.3813 -33.6108 23.0972 14.7204 -9.71007 -36.5458 -7.39983 -4.76092 TIMING: 3332000 CPU: 10597, 0.00313996/step Wall: 10597, 0.00313996/step, 1.45485 hours remaining, 241.460938 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: 3332000 3995.2069 20394.3125 14487.2592 238.7684 -203690.6471 2716.7971 0.0000 0.0000 51851.7558 -110006.5471 297.9928 -161858.3030 -109642.8317 297.7764 -20.3310 11.1300 760625.5923 2.1384 2.4491 PRESSURE: 3332200 96.5357 58.3379 -53.6079 58.339 -180.582 -198.708 -53.6077 -198.708 -81.7524 GPRESSURE: 3332200 28.6879 -7.85678 -4.1559 91.0083 -69.6654 -141.739 -59.4963 -148.451 -46.4739 PRESSAVG: 3332200 -24.7682 -33.2949 -69.3564 -33.295 4.43177 53.7951 -69.3563 53.7951 14.5964 GPRESSAVG: 3332200 -25.8647 -31.9927 -73.0321 -37.4642 3.90525 55.2289 -68.2165 52.8144 15.1815 TIMING: 3332200 CPU: 10597.6, 0.00311962/step Wall: 10597.6, 0.00311962/step, 1.44525 hours remaining, 241.460938 MB of memory in use. ENERGY: 3332200 3977.4852 20581.1310 14533.0615 251.0998 -204210.8661 3112.3548 0.0000 0.0000 51897.9872 -109857.7466 298.2584 -161755.7338 -109510.0799 297.9019 -55.2661 -29.1505 759960.6953 -1.9133 -2.2593 LDB: ============= START OF LOAD BALANCING ============== 10610.1 LDB: ============== END OF LOAD BALANCING =============== 10610.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.1 LDB: ============= START OF LOAD BALANCING ============== 10610.4 LDB: Largest compute 7070 load 0.038999 is 20.0% of average load 0.195447 LDB: Average compute 0.004371 is 2.2% of average load 0.195447 LDB: TIME 10610.4 LOAD: AVG 0.195447 MAX 0.21441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10610.4 LOAD: AVG 0.195447 MAX 0.21441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 10610.4 LOAD: AVG 0.195447 MAX 0.21441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 10610.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.4 PRESSURE: 3332400 109.238 -101.54 -184.567 -101.54 162.578 -78.5597 -184.568 -78.5604 133.425 GPRESSURE: 3332400 88.5546 -145.186 -216.752 -11.1418 186.973 -133.12 -282.966 -29.3525 213.788 PRESSAVG: 3332400 38.0426 -43.0268 -41.21 -43.0267 -35.9845 30.1397 -41.2101 30.1397 10.3544 GPRESSAVG: 3332400 38.7784 -43.1579 -38.5011 -39.5984 -35.8874 30.403 -43.7507 28.825 9.94437 TIMING: 3332400 CPU: 10598.2, 0.00319582/step Wall: 10598.2, 0.00319582/step, 1.48037 hours remaining, 240.605469 MB of memory in use. ENERGY: 3332400 4011.1545 20522.3626 14439.3379 243.5755 -203332.5582 2649.4288 0.0000 0.0000 51727.7055 -109738.9934 297.2798 -161466.6989 -109384.5896 298.1867 135.0805 163.1054 761606.0413 4.1375 4.2784 PRESSURE: 3332600 -258.793 -135.438 -80.2429 -135.438 -297.401 143.624 -80.243 143.623 -205.214 GPRESSURE: 3332600 -271.68 -155.033 -134.966 -125.389 -276.503 215.537 46.3679 22.2821 -122.863 PRESSAVG: 3332600 -23.0267 35.6833 11.8906 35.6833 -19.5407 -6.92988 11.8905 -6.92984 -0.357958 GPRESSAVG: 3332600 -22.7322 35.1827 10.9636 35.7845 -18.0887 -7.61099 13.0488 -6.89342 -1.94104 TIMING: 3332600 CPU: 10598.9, 0.00311585/step Wall: 10598.9, 0.00311585/step, 1.44316 hours remaining, 240.675781 MB of memory in use. ENERGY: 3332600 3977.1609 20530.1998 14495.9445 261.8360 -203354.8245 2526.4509 0.0000 0.0000 51876.1822 -109687.0501 298.1331 -161563.2323 -109320.6265 297.8815 -253.8025 -223.6821 763905.7179 -14.3085 -14.2540 PRESSURE: 3332800 -197.065 102.848 16.4068 102.848 57.4539 -311.971 16.4084 -311.969 155.732 GPRESSURE: 3332800 -175.056 74.4336 -23.8771 -19.9018 136.849 -283.17 65.2932 -298.112 153.112 PRESSAVG: 3332800 -0.349379 -0.989012 14.069 -0.989043 16.1885 25.4401 14.069 25.4401 -12.8482 GPRESSAVG: 3332800 0.580414 0.173265 14.0973 -1.63701 15.3065 26.2421 12.0696 25.8987 -12.6525 TIMING: 3332800 CPU: 10599.5, 0.00312942/step Wall: 10599.5, 0.00312942/step, 1.44927 hours remaining, 240.675781 MB of memory in use. ENERGY: 3332800 3934.6021 20514.1286 14455.8162 262.2021 -202983.4950 2291.3784 0.0000 0.0000 51697.6048 -109827.7629 297.1068 -161525.3677 -109469.0292 297.7489 5.3736 38.3014 761182.4029 0.9970 1.0781 PRESSURE: 3333000 -148.28 10.7752 427.197 10.7749 -65.2301 143.194 427.197 143.194 138.599 GPRESSURE: 3333000 -102.422 62.1754 391.867 -45.3754 -4.78643 175.583 442.868 106.945 137.588 PRESSAVG: 3333000 8.00409 6.87652 13.392 6.8765 -25.7645 -22.007 13.392 -22.0071 5.07186 GPRESSAVG: 3333000 7.24276 7.34643 13.2803 6.77216 -26.0578 -22.0473 16.2213 -22.5947 5.34133 TIMING: 3333000 CPU: 10600.1, 0.00314756/step Wall: 10600.1, 0.00314756/step, 1.45749 hours remaining, 240.675781 MB of memory in use. ENERGY: 3333000 4020.5664 20510.0329 14507.0932 251.8952 -203799.1771 2847.8006 0.0000 0.0000 51790.0084 -109871.7805 297.6379 -161661.7889 -109518.2725 298.0439 -24.9704 10.1264 760676.6992 -4.2295 -4.4912 PRESSURE: 3333200 126.164 48.707 120.297 48.7064 -268.087 78.5333 120.296 78.5332 117.283 GPRESSURE: 3333200 139.671 6.895 33.3407 49.1474 -170.129 95.7969 14.4454 -31.8205 85.6317 PRESSAVG: 3333200 -21.1241 18.7412 -10.3525 18.7412 31.3274 -18.6664 -10.3525 -18.6664 6.86094 GPRESSAVG: 3333200 -21.6523 19.7007 -10.2745 19.5823 32.2178 -18.0394 -13.1315 -19.1498 6.81992 TIMING: 3333200 CPU: 10600.8, 0.00317034/step Wall: 10600.8, 0.00317034/step, 1.46787 hours remaining, 240.675781 MB of memory in use. ENERGY: 3333200 4005.9648 20595.6740 14442.9540 245.7111 -203576.8623 2737.3431 0.0000 0.0000 51727.0039 -109822.2114 297.2758 -161549.2153 -109466.2306 297.8858 -8.2133 18.3913 761931.7031 5.6881 5.7951 PRESSURE: 3333400 29.5193 112.013 -142.098 112.013 -123.513 5.52223 -142.098 5.5226 45.7849 GPRESSURE: 3333400 48.7266 89.1329 -158.004 22.0933 -93.8358 -29.5974 -184.505 -137.084 59.8383 PRESSAVG: 3333400 -64.1568 32.8568 -2.23143 32.8568 -14.3239 16.3016 -2.23134 16.3015 -4.80235 GPRESSAVG: 3333400 -63.864 31.3301 -2.5947 33.0134 -14.9125 13.8252 -0.470848 18.0269 -4.72047 TIMING: 3333400 CPU: 10601.4, 0.00315403/step Wall: 10601.4, 0.00315403/step, 1.46014 hours remaining, 240.675781 MB of memory in use. ENERGY: 3333400 3941.2727 20499.3754 14518.1975 224.5360 -203638.4294 2670.8544 0.0000 0.0000 52078.3966 -109705.7968 299.2953 -161784.1934 -109347.9727 298.3216 -16.0696 4.9097 762099.8989 -27.7610 -27.8323 PRESSURE: 3333600 101.476 213.152 37.9384 213.153 243.468 -45.8517 37.9378 -45.8523 -413.494 GPRESSURE: 3333600 141.338 238.09 24.4948 131.713 200.228 70.6621 46.9916 -9.06178 -322.107 PRESSAVG: 3333600 41.1185 27.7838 -13.0298 27.7837 8.48351 -16.974 -13.0298 -16.974 -7.15222 GPRESSAVG: 3333600 41.3135 28.7413 -12.7341 27.307 7.5265 -15.6502 -12.5706 -17.9574 -6.36848 TIMING: 3333600 CPU: 10602, 0.00315921/step Wall: 10602, 0.00315921/step, 1.46237 hours remaining, 240.675781 MB of memory in use. ENERGY: 3333600 4056.5553 20365.7175 14440.9930 231.8002 -203040.8583 2379.3738 0.0000 0.0000 51770.9123 -109795.5061 297.5281 -161566.4184 -109434.9114 298.5217 -22.8498 6.4861 761064.7341 14.1499 14.1572 PRESSURE: 3333800 23.2745 78.7292 185.62 78.7293 -155.68 -209.681 185.62 -209.681 18.4682 GPRESSURE: 3333800 17.2422 98.2385 239.126 82.2707 -48.5659 -210.34 98.6472 -236.787 16.4303 PRESSAVG: 3333800 18.8162 -2.12075 27.9155 -2.12075 54.5324 1.40683 27.9155 1.4068 2.09667 GPRESSAVG: 3333800 18.6053 -2.85498 30.3942 -2.49341 55.2862 1.15651 28.4214 2.02888 1.83499 TIMING: 3333800 CPU: 10602.6, 0.00315287/step Wall: 10602.6, 0.00315286/step, 1.45925 hours remaining, 240.675781 MB of memory in use. ENERGY: 3333800 4007.5086 20606.1244 14482.9321 230.5189 -203617.8497 2751.3710 0.0000 0.0000 51855.9510 -109683.4437 298.0169 -161539.3947 -109328.2804 298.6339 -37.9792 -4.9645 761541.9984 25.1484 25.2421 PRESSURE: 3334000 91.3218 -93.6356 -120.132 -93.6355 45.3469 154.25 -120.132 154.249 359.036 GPRESSURE: 3334000 226.161 -172.343 -139.416 -105.281 100.666 80.7158 -110.347 222.912 264.696 PRESSAVG: 3334000 -77.4631 -14.9496 31.4869 -14.9496 37.173 -39.8365 31.4869 -39.8366 -19.0705 GPRESSAVG: 3334000 -76.8588 -15.4715 29.2381 -14.1836 36.9334 -39.7161 30.829 -41.1514 -19.2035 TIMING: 3334000 CPU: 10603.3, 0.0031485/step Wall: 10603.3, 0.0031485/step, 1.45705 hours remaining, 240.675781 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: 3334000 4026.7157 20370.3991 14461.8716 226.6410 -203383.7878 2729.5306 0.0000 0.0000 52055.5155 -109513.1144 299.1638 -161568.6299 -109148.2378 298.2749 165.2349 197.1742 762086.1657 -19.7868 -19.7096 PRESSURE: 3334200 438.225 -75.9474 -79.1172 -75.9476 -139.008 69.9996 -79.1174 70 15.4952 GPRESSURE: 3334200 400.448 -143.663 -50.0538 -111.937 -26.3452 163.916 -114.299 162.809 38.8536 PRESSAVG: 3334200 59.0114 -66.437 6.03113 -66.437 13.5056 24.8159 6.03118 24.8159 -11.4255 GPRESSAVG: 3334200 58.271 -66.1467 5.14999 -66.6799 13.5649 24.7111 5.01618 26.131 -11.0839 TIMING: 3334200 CPU: 10603.9, 0.00313657/step Wall: 10603.9, 0.00313657/step, 1.45136 hours remaining, 240.675781 MB of memory in use. ENERGY: 3334200 3916.4869 20484.2561 14487.1775 244.5140 -203555.7470 2913.9146 0.0000 0.0000 52016.8292 -109492.5687 298.9414 -161509.3979 -109132.4357 298.5906 104.9041 137.6520 763875.6490 20.3638 20.2507 PRESSURE: 3334400 -117.077 135.371 9.18636 135.371 244.528 68.2111 9.186 68.2102 40.216 GPRESSURE: 3334400 -64.7857 19.6712 13.9905 88.0953 281.981 44.2425 64.313 32.5615 32.7282 PRESSAVG: 3334400 -21.4479 -36.9163 -32.2002 -36.9163 16.0346 19.8319 -32.2001 19.8319 13.9898 GPRESSAVG: 3334400 -21.9114 -35.9203 -32.1924 -37.3786 17.4977 19.9492 -30.0558 18.8398 12.7111 TIMING: 3334400 CPU: 10604.5, 0.00313625/step Wall: 10604.5, 0.00313625/step, 1.45104 hours remaining, 240.675781 MB of memory in use. ENERGY: 3334400 3963.1791 20591.5318 14525.9304 254.6550 -203536.8415 2779.0736 0.0000 0.0000 52138.0823 -109284.3893 299.6383 -161422.4716 -108928.6164 299.2338 55.8888 83.3077 762033.5404 2.8588 2.7658 PRESSURE: 3334600 113.571 -39.7087 -147.123 -39.7084 56.338 76.8146 -147.123 76.8143 -0.000393068 GPRESSURE: 3334600 87.5542 -80.4674 -15.7173 -55.4189 139.811 56.6397 29.6971 66.1472 30.2688 PRESSAVG: 3334600 2.35332 -17.4293 -54.6158 -17.4293 19.0386 -36.198 -54.6157 -36.198 -2.07326 GPRESSAVG: 3334600 1.68838 -18.7009 -54.2248 -17.8766 18.1762 -35.1332 -53.4474 -35.1231 -0.947815 TIMING: 3334600 CPU: 10605.2, 0.00314978/step Wall: 10605.2, 0.00314978/step, 1.45712 hours remaining, 240.675781 MB of memory in use. ENERGY: 3334600 3960.7608 20678.2366 14554.7333 239.4693 -203703.5330 2852.2343 0.0000 0.0000 52050.7435 -109367.3552 299.1363 -161418.0987 -109015.2371 299.5294 56.6361 85.8782 760021.1387 6.4396 6.3056 PRESSURE: 3334800 -151.086 -133.542 123.902 -133.541 -7.89683 274.366 123.901 274.365 200.618 GPRESSURE: 3334800 -115.331 -38.2266 171.586 -22.3168 21.4976 170.518 104.101 308.572 220.02 PRESSAVG: 3334800 4.96213 -16.8879 -45.8772 -16.888 -1.29982 5.34506 -45.8773 5.3451 33.042 GPRESSAVG: 3334800 4.52593 -15.3183 -44.447 -14.7488 -1.73078 5.2081 -47.6316 4.55034 33.7618 TIMING: 3334800 CPU: 10605.8, 0.00314627/step Wall: 10605.8, 0.00314627/step, 1.45532 hours remaining, 240.675781 MB of memory in use. ENERGY: 3334800 4050.4416 20480.1029 14439.8411 237.0136 -203298.3873 2562.0662 0.0000 0.0000 52293.9390 -109234.9829 300.5340 -161528.9219 -108863.4067 299.0236 13.8786 42.0622 761607.7237 12.2348 12.1857 PRESSURE: 3335000 -200.081 90.8347 23.5989 90.8345 -296.486 62.1941 23.5987 62.1931 151.752 GPRESSURE: 3335000 -212.863 6.14594 76.4765 27.0757 -203.921 56.2479 -185.834 -2.01416 162.071 PRESSAVG: 3335000 -1.95808 -40.3975 -19.6896 -40.3976 29.7785 37.1371 -19.6896 37.137 -5.02756 GPRESSAVG: 3335000 -0.404314 -41.7317 -20.2744 -41.1464 29.4882 36.1859 -20.4098 36.0446 -5.86347 TIMING: 3335000 CPU: 10606.4, 0.00311607/step Wall: 10606.4, 0.00311607/step, 1.44118 hours remaining, 240.675781 MB of memory in use. ENERGY: 3335000 4042.7983 20415.2198 14476.1348 245.2324 -203234.2105 2598.1613 0.0000 0.0000 52139.3846 -109317.2792 299.6458 -161456.6638 -108951.7549 299.0231 -114.9384 -84.9043 760980.3440 7.5976 7.7402 PRESSURE: 3335200 223.457 27.9988 -219.395 27.998 76.4053 -122.198 -219.394 -122.197 475.18 GPRESSURE: 3335200 233.478 14.0794 -197.148 -3.25817 142.295 -154.532 -220.052 -65.2454 470.931 PRESSAVG: 3335200 -26.5517 -15.6638 -63.8702 -15.6639 15.498 -18.0467 -63.8702 -18.0467 2.05559 GPRESSAVG: 3335200 -26.8908 -17.1182 -65.8633 -15.0922 15.6375 -17.4665 -61.9807 -15.974 2.39878 TIMING: 3335200 CPU: 10607, 0.00314948/step Wall: 10607, 0.00314948/step, 1.45646 hours remaining, 240.675781 MB of memory in use. ENERGY: 3335200 3906.2296 20524.8574 14499.3714 232.1479 -203628.7523 3029.1389 0.0000 0.0000 51989.1967 -109447.8103 298.7826 -161437.0071 -109096.6095 299.1666 258.3473 282.2347 761106.1890 -2.9994 -2.9515 PRESSURE: 3335400 209.69 41.7171 -118.501 41.7174 207.908 -74.9703 -118.501 -74.97 291.446 GPRESSURE: 3335400 216.569 57.4347 -171.003 -79.7527 213.065 -85.0929 -52.4402 -101.636 346.244 PRESSAVG: 3335400 -33.6236 19.4418 -51.1084 19.4418 38.7378 -20.77 -51.1084 -20.77 -13.5926 GPRESSAVG: 3335400 -34.253 23.3026 -49.0232 15.0583 39.1092 -21.3712 -52.3021 -20.2011 -13.6632 TIMING: 3335400 CPU: 10607.7, 0.00313855/step Wall: 10607.7, 0.00313855/step, 1.45123 hours remaining, 240.675781 MB of memory in use. ENERGY: 3335400 4010.8507 20668.4507 14561.3511 252.8136 -203604.3382 2680.5502 0.0000 0.0000 52166.1470 -109264.1750 299.7996 -161430.3220 -108909.8113 299.1421 236.3477 258.6259 759225.8588 -2.8261 -2.9356 PRESSURE: 3335600 -156.318 44.5885 -111.838 44.5883 8.91326 -188.918 -111.839 -188.918 173.444 GPRESSURE: 3335600 -72.3534 43.4135 -233.123 101.047 -39.9035 -95.4323 -46.1556 -40.4705 206.477 PRESSAVG: 3335600 33.9822 30.144 -62.4096 30.1439 43.196 13.6535 -62.4097 13.6535 12.4712 GPRESSAVG: 3335600 34.3042 29.0088 -64.7985 32.4488 41.9125 14.5696 -61.7818 12.1811 13.3079 TIMING: 3335600 CPU: 10608.3, 0.00312299/step Wall: 10608.3, 0.00312299/step, 1.44386 hours remaining, 240.675781 MB of memory in use. ENERGY: 3335600 4008.8328 20707.8100 14500.8487 244.1705 -203205.9759 2552.6693 0.0000 0.0000 51976.1207 -109215.5238 298.7075 -161191.6446 -108846.1215 299.6520 8.6796 31.4068 761673.1676 29.8831 29.8415 PRESSURE: 3335800 -292.152 155.166 -54.8745 155.166 -215.974 -68.3076 -54.8746 -68.307 -119.273 GPRESSURE: 3335800 -330.976 98.8614 -76.5027 199.701 -90.1492 -127.964 -8.49629 -102.32 -146.084 PRESSAVG: 3335800 -12.2365 16.9424 26.2282 16.9424 -3.13567 -47.1043 26.2281 -47.1043 3.71074 GPRESSAVG: 3335800 -12.2184 15.1961 26.7313 17.628 -2.78356 -47.2383 25.5078 -47.029 3.29939 TIMING: 3335800 CPU: 10608.9, 0.00311803/step Wall: 10608.9, 0.00311803/step, 1.4414 hours remaining, 240.675781 MB of memory in use. ENERGY: 3335800 3973.3796 20681.1510 14581.1915 262.5869 -203453.1285 2513.6419 0.0000 0.0000 52037.2233 -109403.9542 299.0586 -161441.1775 -109043.4280 299.1412 -209.1328 -189.0699 761255.0035 -3.8872 -3.9008 PRESSURE: 3336000 -289.147 -121.172 34.0075 -121.173 -112.197 33.7226 34.0084 33.7231 -297.554 GPRESSURE: 3336000 -240.515 -149.355 1.64146 2.85111 -93.3141 36.1167 -16.6457 -37.3187 -285.468 PRESSAVG: 3336000 -18.6285 7.03671 10.5726 7.03665 -8.21562 -30.3456 10.5726 -30.3456 13.9203 GPRESSAVG: 3336000 -18.745 6.68955 12.7823 6.46217 -7.88705 -30.0932 8.25231 -30.0305 13.774 TIMING: 3336000 CPU: 10609.5, 0.00311108/step Wall: 10609.5, 0.00311109/step, 1.43801 hours remaining, 240.675781 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: 3336000 4031.1633 20585.0139 14548.3043 242.1655 -203692.5787 2690.0271 0.0000 0.0000 52025.9893 -109569.9154 298.9941 -161595.9047 -109201.4067 299.1162 -232.9661 -206.4325 761515.1011 -4.3079 -4.2860 PRESSURE: 3336200 3.03681 231.844 -43.6791 231.844 92.4758 -251.898 -43.68 -251.897 -266.284 GPRESSURE: 3336200 -0.826961 241.814 -46.6678 268.007 101.504 -244.925 34.5008 -142.201 -179.745 PRESSAVG: 3336200 -84.3796 12.302 7.00379 12.3019 70.7155 -44.5094 7.00382 -44.5094 -17.2697 GPRESSAVG: 3336200 -84.7045 12.1136 4.98654 11.5167 71.1026 -44.3709 8.82274 -44.2355 -17.4987 TIMING: 3336200 CPU: 10610.2, 0.00312051/step Wall: 10610.2, 0.00312051/step, 1.44219 hours remaining, 240.675781 MB of memory in use. ENERGY: 3336200 4095.6090 20446.0735 14492.1678 246.4377 -203483.0751 2664.0544 0.0000 0.0000 52045.4249 -109493.3078 299.1058 -161538.7327 -109136.3315 298.9603 -56.9237 -26.3561 762511.6891 -10.3113 -10.3669 LDB: ============= START OF LOAD BALANCING ============== 10622.6 LDB: ============== END OF LOAD BALANCING =============== 10622.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.6 LDB: ============= START OF LOAD BALANCING ============== 10622.9 LDB: Largest compute 7070 load 0.036188 is 18.5% of average load 0.195375 LDB: Average compute 0.004416 is 2.3% of average load 0.195375 LDB: TIME 10622.9 LOAD: AVG 0.195375 MAX 0.211925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 10622.9 LOAD: AVG 0.195375 MAX 0.211925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 10622.9 LOAD: AVG 0.195375 MAX 0.211925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 10622.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.9 PRESSURE: 3336400 -251.044 -247.95 -298.25 -247.951 -245.206 56.2647 -298.25 56.2636 196.486 GPRESSURE: 3336400 -258.716 -303.699 -365.32 -273.759 -185.568 106.844 -314.969 81.8428 229.54 PRESSAVG: 3336400 -10.8346 6.89516 -22.6973 6.89509 33.5136 -16.4515 -22.6973 -16.4515 1.06002 GPRESSAVG: 3336400 -11.0579 7.7486 -21.9095 7.38317 33.6478 -16.2683 -22.9982 -15.1936 0.930441 TIMING: 3336400 CPU: 10610.8, 0.00319538/step Wall: 10610.8, 0.00319538/step, 1.47662 hours remaining, 242.210938 MB of memory in use. ENERGY: 3336400 4058.7773 20582.3838 14520.8261 261.6238 -203797.3374 2816.0800 0.0000 0.0000 52152.5077 -109405.1386 299.7212 -161557.6463 -109046.1952 298.8889 -99.9217 -71.5811 759421.6552 7.9130 7.8401 PRESSURE: 3336600 49.4655 128.497 166.748 128.498 -117.78 -259.333 166.749 -259.334 230.725 GPRESSURE: 3336600 32.0292 135.931 181.153 43.6191 -81.5023 -251.529 88.413 -388.051 265.752 PRESSAVG: 3336600 -45.2652 11.9335 12.7116 11.9334 52.965 -12.8576 12.7117 -12.8577 12.361 GPRESSAVG: 3336600 -45.0299 9.43307 11.8809 13.4683 53.3648 -13.3037 12.6976 -13.7726 11.6242 TIMING: 3336600 CPU: 10611.4, 0.00315272/step Wall: 10611.4, 0.00315272/step, 1.45673 hours remaining, 242.210938 MB of memory in use. ENERGY: 3336600 3924.2623 20447.8187 14566.4177 236.0882 -203246.0670 2359.0064 0.0000 0.0000 52082.5227 -109629.9511 299.3190 -161712.4738 -109255.1694 299.3004 54.1370 72.0929 760979.2504 6.6869 6.6531 PRESSURE: 3336800 -158.96 -96.29 33.5293 -96.289 -150.573 -16.3417 33.5296 -16.3426 -115.721 GPRESSURE: 3336800 -12.5882 -48.6797 85.9383 -34.0052 -150.397 -56.7109 79.0695 160.798 -184.805 PRESSAVG: 3336800 -45.5689 -10.2571 -8.24514 -10.257 11.6685 -11.7503 -8.24514 -11.7504 24.2429 GPRESSAVG: 3336800 -45.561 -8.88871 -7.9634 -10.6531 11.0665 -12.1554 -7.26271 -10.5991 24.4863 TIMING: 3336800 CPU: 10612.1, 0.0031421/step Wall: 10612.1, 0.0031421/step, 1.45165 hours remaining, 242.210938 MB of memory in use. ENERGY: 3336800 3925.8010 20425.6891 14511.7038 261.7458 -202924.9217 2456.7313 0.0000 0.0000 51850.1534 -109493.0973 297.9835 -161343.2507 -109136.7698 298.3578 -141.7514 -115.9300 762674.7717 -3.2192 -3.3360 PRESSURE: 3337000 28.4415 -30.946 -74.2205 -30.9447 402.757 -128.312 -74.2206 -128.313 238.9 GPRESSURE: 3337000 143.137 -9.40903 -58.9006 -55.9164 379.494 -11.3229 -56.9238 -204.826 216.505 PRESSAVG: 3337000 -0.739132 -54.4308 26.9266 -54.4308 16.8898 -61.0741 26.9266 -61.0741 -32.795 GPRESSAVG: 3337000 -1.57044 -52.9883 28.2319 -55.2239 16.7683 -60.0055 27.0015 -60.9783 -32.4719 TIMING: 3337000 CPU: 10612.7, 0.00312948/step Wall: 10612.7, 0.00312948/step, 1.44565 hours remaining, 242.210938 MB of memory in use. ENERGY: 3337000 3956.1935 20463.4129 14501.4006 242.9619 -203571.2535 2938.3400 0.0000 0.0000 52045.0798 -109423.8648 299.1038 -161468.9446 -109060.7688 298.1448 223.3662 246.3786 762059.2435 -5.5481 -5.7580 PRESSURE: 3337200 -239.953 133.635 322.596 133.635 -2.94877 229.18 322.596 229.179 -105.994 GPRESSURE: 3337200 -133.445 23.2515 222.38 105.634 -1.43263 265.042 342.534 165.255 -114.509 PRESSAVG: 3337200 -21.4889 -69.7433 32.7484 -69.7434 -11.1169 -62.8311 32.7484 -62.8312 -15.1786 GPRESSAVG: 3337200 -20.3968 -70.5096 31.4407 -68.7301 -11.7105 -63.3408 31.7317 -66.9131 -15.6508 TIMING: 3337200 CPU: 10613.3, 0.00311557/step Wall: 10613.3, 0.00311557/step, 1.43905 hours remaining, 242.210938 MB of memory in use. ENERGY: 3337200 3938.6453 20512.3005 14455.5008 255.1154 -203303.9999 2664.1571 0.0000 0.0000 52061.6714 -109416.6095 299.1991 -161478.2808 -109038.3872 298.8752 -116.2985 -83.1288 762515.0427 -15.9281 -15.9194 PRESSURE: 3337400 62.2966 21.1918 -184.439 21.1922 90.3749 145.439 -184.439 145.44 -95.8858 GPRESSURE: 3337400 105.574 -33.4198 -119.534 53.756 97.49 174.042 -143.099 177.263 -63.3473 PRESSAVG: 3337400 -20.4657 -10.8088 17.7162 -10.8089 4.82353 26.5305 17.7161 26.5305 -7.35219 GPRESSAVG: 3337400 -21.3349 -12.6343 18.2084 -11.9971 5.36544 26.2879 17.8774 30.3145 -6.84302 TIMING: 3337400 CPU: 10613.9, 0.00311632/step Wall: 10613.9, 0.00311632/step, 1.43922 hours remaining, 242.210938 MB of memory in use. ENERGY: 3337400 4015.2160 20475.1821 14591.5796 244.4348 -203411.9099 2656.8689 0.0000 0.0000 52175.3263 -109253.3021 299.8523 -161428.6285 -108883.3202 298.9924 18.9286 46.5722 761165.2557 -7.6648 -7.6042 PRESSURE: 3337600 81.8205 -81.4268 -301.781 -81.4262 -293.052 213.12 -301.781 213.121 -222.845 GPRESSURE: 3337600 30.5778 27.3044 -233.202 -177.179 -157.262 191.275 -316.554 237.024 -209.99 PRESSAVG: 3337600 -43.6354 -22.287 -55.8074 -22.287 16.7926 18.6968 -55.8074 18.6968 28.8896 GPRESSAVG: 3337600 -43.3952 -19.3136 -55.3935 -22.8092 17.2234 20.2327 -55.5354 17.523 27.9193 TIMING: 3337600 CPU: 10614.6, 0.00315627/step Wall: 10614.6, 0.00315627/step, 1.4575 hours remaining, 242.210938 MB of memory in use. ENERGY: 3337600 3937.8619 20619.5574 14506.5038 219.9543 -203092.5144 2611.1596 0.0000 0.0000 51803.5132 -109393.9641 297.7155 -161197.4773 -109030.7592 299.0612 -144.6924 -112.2247 762648.9741 0.6823 0.5825 PRESSURE: 3337800 226.681 88.7081 90.7836 88.708 -117.341 70.7865 90.7835 70.7861 54.5745 GPRESSURE: 3337800 292.034 116.937 76.197 21.0016 -106.48 94.0667 -51.7159 -64.241 62.5291 PRESSAVG: 3337800 25.519 -43.1208 33.1807 -43.1208 2.61007 -18.0339 33.1806 -18.034 12.8523 GPRESSAVG: 3337800 26.1245 -43.8549 30.6459 -43.4331 2.33641 -19.4573 32.7722 -20.7109 12.1687 TIMING: 3337800 CPU: 10615.2, 0.0031361/step Wall: 10615.2, 0.0031361/step, 1.44801 hours remaining, 242.210938 MB of memory in use. ENERGY: 3337800 4053.1659 20522.2301 14602.5521 251.5246 -203228.4219 2602.5748 0.0000 0.0000 51742.5365 -109453.8379 297.3651 -161196.3744 -109094.8946 299.0747 54.6383 82.6944 760628.9881 13.6604 13.5432 PRESSURE: 3338000 -159.728 -5.24756 48.9968 -5.24736 -5.90338 133.546 48.996 133.545 384.9 GPRESSURE: 3338000 -122.015 -59.0569 39.8486 168.629 62.7079 170.226 53.1447 38.4981 383.695 PRESSAVG: 3338000 -23.6847 0.537126 -9.69152 0.537116 3.31557 1.85276 -9.69153 1.85277 -2.92189 GPRESSAVG: 3338000 -24.8826 -1.24497 -8.3139 3.33609 3.37708 1.83014 -9.20566 4.3517 -2.01463 TIMING: 3338000 CPU: 10615.8, 0.00314636/step Wall: 10615.8, 0.00314636/step, 1.45257 hours remaining, 242.210938 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: 3338000 3982.3850 20577.3481 14531.7229 249.9339 -202968.5995 2548.7202 0.0000 0.0000 51877.0660 -109201.4234 298.1382 -161078.4894 -108840.0201 299.4404 73.0896 108.1292 761646.7055 -7.7637 -7.8400 PRESSURE: 3338200 -144.591 -139.052 -139.157 -139.052 52.5578 4.20817 -139.157 4.20788 -44.4333 GPRESSURE: 3338200 -131.165 -74.9019 -115.582 -123.486 62.6255 -80.9329 -100.817 36.5134 11.9235 PRESSAVG: 3338200 24.716 -45.8853 10.3881 -45.8853 -53.4244 33.5808 10.3881 33.5807 -12.7545 GPRESSAVG: 3338200 24.8631 -44.1393 10.3132 -46.1069 -53.3858 32.5414 8.41019 34.4479 -13.3698 TIMING: 3338200 CPU: 10616.5, 0.00313695/step Wall: 10616.5, 0.00313695/step, 1.44805 hours remaining, 242.210938 MB of memory in use. ENERGY: 3338200 4012.2564 20618.2188 14550.2288 267.6691 -203116.5049 2507.5798 0.0000 0.0000 52118.3114 -109042.2406 299.5247 -161160.5520 -108681.9466 299.5725 -45.4889 -18.8719 761681.7954 -13.8210 -13.9642 PRESSURE: 3338400 58.0361 -124.366 132.77 -124.366 430.107 -72.3471 132.77 -72.3464 305.32 GPRESSURE: 3338400 148.863 -58.7289 98.1909 -237.394 384.088 -89.5062 -2.4785 85.1606 331.163 PRESSAVG: 3338400 -0.608934 -70.4982 -24.4008 -70.4983 19.2641 56.5746 -24.4008 56.5745 -4.04709 GPRESSAVG: 3338400 -0.346391 -72.1274 -23.2693 -72.3662 17.4222 56.4602 -25.2703 54.4468 -2.99882 TIMING: 3338400 CPU: 10617.1, 0.00313736/step Wall: 10617.1, 0.00313736/step, 1.44807 hours remaining, 242.210938 MB of memory in use. ENERGY: 3338400 4018.8225 20483.1939 14462.8708 252.6306 -203502.3169 2819.7510 0.0000 0.0000 52424.0116 -109041.0365 301.2815 -161465.0481 -108684.7209 300.1696 264.4875 288.0382 761776.4747 4.8693 4.6923 PRESSURE: 3338600 87.5498 -105.857 73.4497 -105.857 65.8952 -167.885 73.4487 -167.885 632.979 GPRESSURE: 3338600 111.811 -100.927 13.4556 5.65527 180.93 -123.972 89.356 -54.938 578.535 PRESSAVG: 3338600 12.8753 -81.9165 -20.9407 -81.9166 -12.0635 38.9676 -20.9407 38.9676 -2.5886 GPRESSAVG: 3338600 12.6838 -81.8056 -20.0269 -80.8905 -11.1639 39.1044 -20.8195 42.1745 -3.43935 TIMING: 3338600 CPU: 10617.7, 0.00316473/step Wall: 10617.7, 0.00316473/step, 1.46052 hours remaining, 242.210938 MB of memory in use. ENERGY: 3338600 3960.0748 20575.9824 14495.4040 273.6731 -203159.1554 2737.9957 0.0000 0.0000 52127.3939 -108988.6314 299.5768 -161116.0253 -108635.7710 300.1415 262.1413 290.4254 761036.5982 -0.5922 -0.6398 PRESSURE: 3338800 -38.3967 -22.7529 -67.0349 -22.7526 46.5614 92.0221 -67.0347 92.022 155.827 GPRESSURE: 3338800 -87.2924 -63.7706 102.751 18.7398 101.906 59.1272 -88.6506 38.3296 220.642 PRESSAVG: 3338800 5.24284 -40.6005 5.39153 -40.6005 6.60301 14.3466 5.39156 14.3466 -1.28073 GPRESSAVG: 3338800 5.11444 -40.7998 4.51559 -40.3563 7.28377 15.4109 6.34096 10.8354 -2.0345 TIMING: 3338800 CPU: 10618.3, 0.00313397/step Wall: 10618.3, 0.00313396/step, 1.44615 hours remaining, 242.210938 MB of memory in use. ENERGY: 3338800 3941.7373 20594.0445 14557.4448 250.3982 -202895.1975 2442.3356 0.0000 0.0000 51991.6379 -109117.5992 298.7967 -161109.2371 -108744.2528 299.7481 54.6638 78.4184 761432.0306 3.5217 3.4546 PRESSURE: 3339000 -207.804 -286.101 -193.571 -286.101 117.022 65.547 -193.573 65.5468 -193.549 GPRESSURE: 3339000 -56.2528 -274.584 -294.686 -339.281 -7.58139 147.208 -148.399 3.48863 -110.421 PRESSAVG: 3339000 2.63292 -44.2249 -22.0548 -44.2249 -48.5356 26.1033 -22.0549 26.1032 4.9242 GPRESSAVG: 3339000 3.98299 -43.7695 -23.0124 -44.0233 -51.6663 24.0389 -18.6946 28.0817 6.82951 TIMING: 3339000 CPU: 10619, 0.00311574/step Wall: 10619, 0.00311574/step, 1.43757 hours remaining, 242.210938 MB of memory in use. ENERGY: 3339000 4021.8168 20552.6022 14517.3992 258.9839 -203208.7615 2664.3075 0.0000 0.0000 51943.4078 -109250.2440 298.5195 -161193.6518 -108889.2224 299.1100 -94.7770 -58.0852 760863.2156 -13.6595 -13.6179 PRESSURE: 3339200 -85.3078 23.8426 -24.68 23.8422 233.061 32.568 -24.6804 32.5691 -92.922 GPRESSURE: 3339200 -73.9146 7.16331 -47.8999 57.1838 266.395 82.1238 -301.122 -131.311 -34.2827 PRESSAVG: 3339200 0.214054 -42.7266 20.3375 -42.7265 -14.3368 46.456 20.3375 46.456 -8.64327 GPRESSAVG: 3339200 -1.14039 -40.9875 21.1674 -44.0336 -12.4995 48.5112 15.6001 44.1211 -8.8948 TIMING: 3339200 CPU: 10619.6, 0.00312517/step Wall: 10619.6, 0.00312517/step, 1.44174 hours remaining, 242.210938 MB of memory in use. ENERGY: 3339200 4007.7004 20446.5208 14511.9587 234.4610 -202938.4626 2542.1748 0.0000 0.0000 51956.4270 -109239.2199 298.5943 -161195.6469 -108877.0049 299.2560 18.2772 52.7325 760585.8670 -7.5887 -7.5116 PRESSURE: 3339400 -17.3822 -133.009 110.745 -133.01 -61.4737 -146.889 110.745 -146.89 158.016 GPRESSURE: 3339400 28.8101 -89.1329 173.081 -142.96 -55.2747 -91.1022 223.232 -103.501 168.507 PRESSAVG: 3339400 0.280858 -89.4939 -23.615 -89.4939 -19.0329 15.7372 -23.615 15.7372 -29.3256 GPRESSAVG: 3339400 -1.65931 -90.364 -24.541 -89.009 -17.7423 14.2103 -19.4011 17.7752 -29.5653 TIMING: 3339400 CPU: 10620.2, 0.00312082/step Wall: 10620.2, 0.00312082/step, 1.43957 hours remaining, 242.210938 MB of memory in use. ENERGY: 3339400 3978.9770 20679.4304 14556.4115 241.7800 -203069.5423 2262.9310 0.0000 0.0000 52176.6437 -109173.3687 299.8599 -161350.0123 -108820.8815 299.4502 26.3866 47.3476 761552.5885 -16.0259 -16.3223 PRESSURE: 3339600 282.443 98.9791 19.2559 98.9786 -31.5849 -8.09369 19.2545 -8.09396 183.509 GPRESSURE: 3339600 392.076 169.661 72.4307 57.7112 -85.4673 24.972 129.434 -9.57544 201.215 PRESSAVG: 3339600 53.8153 -2.24332 -0.635594 -2.24333 -68.2967 5.31524 -0.635639 5.31528 -8.018 GPRESSAVG: 3339600 55.1098 -1.49767 -0.185523 -1.01095 -69.5501 4.45819 -2.14455 6.55688 -8.27067 TIMING: 3339600 CPU: 10620.8, 0.00312654/step Wall: 10620.8, 0.00312654/step, 1.44203 hours remaining, 242.210938 MB of memory in use. ENERGY: 3339600 3950.2528 20661.5782 14550.8581 247.5337 -203495.8901 2853.4021 0.0000 0.0000 52125.3548 -109106.9104 299.5651 -161232.2652 -108743.9931 299.6283 144.7891 169.2745 761355.5763 -7.4998 -7.5703 PRESSURE: 3339800 20.0296 -99.8543 27.8381 -99.8538 21.5832 -9.26227 27.8381 -9.26078 72.9114 GPRESSURE: 3339800 35.5424 -157.193 38.893 -121.732 39.3092 -97.9005 -114.374 32.0678 106.95 PRESSAVG: 3339800 53.076 -24.8507 -74.3234 -24.8507 -20.3093 -34.4574 -74.3235 -34.4575 6.49255 GPRESSAVG: 3339800 53.6599 -25.6373 -73.3953 -28.5308 -21.3656 -34.305 -76.1448 -36.6192 6.7784 TIMING: 3339800 CPU: 10621.5, 0.00311758/step Wall: 10621.5, 0.00311758/step, 1.43772 hours remaining, 242.210938 MB of memory in use. ENERGY: 3339800 3981.7572 20636.8186 14497.6252 245.6158 -203535.3884 2735.0304 0.0000 0.0000 52442.4283 -108996.1128 301.3874 -161438.5411 -108646.6124 299.9591 38.1747 60.6006 761842.4076 13.0864 13.0242 PRESSURE: 3340000 -50.089 -99.6452 219.234 -99.6446 -299.921 -167.039 219.233 -167.04 -162.965 GPRESSURE: 3340000 -63.0426 -27.5426 199.646 -122.391 -316.312 -132.889 160.928 -223.967 -62.877 PRESSAVG: 3340000 16.2726 -16.9597 15.698 -16.9597 -8.52959 -27.6637 15.698 -27.6637 -0.00559443 GPRESSAVG: 3340000 15.2918 -16.5446 12.9265 -14.6337 -7.06504 -26.3991 17.1509 -26.9006 -1.13993 TIMING: 3340000 CPU: 10622.1, 0.00313803/step Wall: 10622.1, 0.00313803/step, 1.44698 hours remaining, 242.210938 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: 3340000 3977.9132 20474.6454 14511.2584 253.9140 -202772.6985 2522.3617 0.0000 0.0000 51869.4114 -109163.1944 298.0942 -161032.6058 -108793.7930 299.7147 -170.9914 -147.4104 762967.1815 2.5791 2.3623 PRESSURE: 3340200 -386.54 -210.861 163.212 -210.861 -41.1075 184.643 163.212 184.643 -212.725 GPRESSURE: 3340200 -217.966 -226.731 130.64 -191.451 -104.999 134.433 277.554 196.855 -242.424 PRESSAVG: 3340200 -39.2631 -22.5895 8.62794 -22.5894 4.19705 21.6288 8.62793 21.6287 0.439921 GPRESSAVG: 3340200 -38.6305 -23.4236 10.5073 -23.0209 3.13444 21.0041 8.3095 20.7511 0.595455 TIMING: 3340200 CPU: 10622.7, 0.00313242/step Wall: 10622.7, 0.00313242/step, 1.44422 hours remaining, 242.210938 MB of memory in use. ENERGY: 3340200 4101.6425 20560.1155 14500.4187 262.1957 -203222.7560 2538.7474 0.0000 0.0000 52113.2326 -109146.4037 299.4955 -161259.6363 -108782.5114 299.8973 -213.4574 -188.4628 761179.5421 -11.5421 -11.6335 LDB: ============= START OF LOAD BALANCING ============== 10635.2 LDB: ============== END OF LOAD BALANCING =============== 10635.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10635.2 LDB: ============= START OF LOAD BALANCING ============== 10635.5 LDB: Largest compute 7060 load 0.033482 is 17.1% of average load 0.195475 LDB: Average compute 0.004368 is 2.2% of average load 0.195475 LDB: TIME 10635.5 LOAD: AVG 0.195475 MAX 0.214005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10635.5 LOAD: AVG 0.195475 MAX 0.214005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 10635.5 LOAD: AVG 0.195475 MAX 0.214005 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 10635.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10635.5 PRESSURE: 3340400 -170.769 37.0559 -92.6867 37.0553 -131.506 -29.0503 -92.6861 -29.0498 -223 GPRESSURE: 3340400 -68.5319 -126.742 -73.8223 61.6791 -15.1127 85.2991 -21.3397 7.03933 -355.148 PRESSAVG: 3340400 -76.3512 -14.9999 23.6681 -14.9998 50.371 -19.2247 23.6681 -19.2247 -14.1715 GPRESSAVG: 3340400 -75.3501 -16.0497 23.4831 -15.348 50.785 -20.7145 24.5691 -17.7722 -14.3468 TIMING: 3340400 CPU: 10623.4, 0.00321502/step Wall: 10623.4, 0.00321502/step, 1.48213 hours remaining, 240.808594 MB of memory in use. ENERGY: 3340400 4045.1485 20493.9242 14453.3753 245.3795 -203003.8327 2577.2722 0.0000 0.0000 52211.2393 -108977.4936 300.0587 -161188.7329 -108609.1690 299.5953 -175.0916 -146.2643 762931.1076 -13.3839 -12.9706 PRESSURE: 3340600 -170.932 11.9148 7.55623 11.9137 -20.3109 -87.2023 7.5555 -87.2022 11.4888 GPRESSURE: 3340600 -110.823 2.54488 69.3146 157.424 3.4382 -186.099 -9.94579 -82.8495 19.8064 PRESSAVG: 3340600 34.1996 -27.4954 31.9358 -27.4954 -47.1953 43.1855 31.9357 43.1855 -9.55885 GPRESSAVG: 3340600 33.711 -26.4706 32.2748 -25.3672 -45.1853 45.3957 31.529 43.1508 -10.3938 TIMING: 3340600 CPU: 10624, 0.00311999/step Wall: 10624, 0.00311999/step, 1.43814 hours remaining, 240.808594 MB of memory in use. ENERGY: 3340600 4036.7137 20705.6385 14436.7530 237.0956 -203189.1354 2532.5193 0.0000 0.0000 52230.9515 -109009.4638 300.1720 -161240.4153 -108652.8165 300.0034 -59.9179 -29.1929 761479.4363 -7.5182 -7.2893 PRESSURE: 3340800 123.778 -245.354 -25.7133 -245.354 -294.384 5.58722 -25.7125 5.58873 24.2581 GPRESSURE: 3340800 167.116 -226.556 31.1426 -272.324 -226.602 -6.3041 -26.6731 1.81755 -13.2954 PRESSAVG: 3340800 -11.0345 -51.9712 -12.0983 -51.9712 33.3076 38.4898 -12.0982 38.4896 3.04244 GPRESSAVG: 3340800 -10.8872 -50.5652 -10.865 -53.1002 33.6145 37.6017 -12.4513 38.8546 2.10748 TIMING: 3340800 CPU: 10624.6, 0.00311272/step Wall: 10624.6, 0.00311272/step, 1.43462 hours remaining, 240.808594 MB of memory in use. ENERGY: 3340800 4036.5581 20525.9694 14457.3587 246.7251 -203112.8222 2614.5525 0.0000 0.0000 52171.6371 -109060.0213 299.8311 -161231.6584 -108696.6266 300.0533 -48.7826 -24.2605 763002.7768 8.4385 8.2783 PRESSURE: 3341000 -24.898 -127.234 32.1197 -127.234 130.321 17.284 32.1189 17.2838 301.552 GPRESSURE: 3341000 -31.406 -147.232 105.053 32.0238 182.465 20.4546 -54.5945 -153.31 351.304 PRESSAVG: 3341000 -55.6539 -23.1938 -4.52226 -23.1938 62.1448 4.89601 -4.52226 4.89597 11.0832 GPRESSAVG: 3341000 -56.8853 -24.9201 -7.01549 -20.5331 61.6237 5.56558 -4.29056 2.09704 13.693 TIMING: 3341000 CPU: 10625.2, 0.00311224/step Wall: 10625.2, 0.00311224/step, 1.43422 hours remaining, 240.808594 MB of memory in use. ENERGY: 3341000 4010.0791 20550.8775 14527.6308 251.7235 -203168.9765 2857.3615 0.0000 0.0000 52037.3957 -108933.9085 299.0596 -160971.3042 -108577.8236 300.2438 135.6584 167.4542 761511.9134 5.8580 6.1438 PRESSURE: 3341200 -409.477 -284.948 -323.405 -284.949 219.703 149.096 -323.404 149.097 -275.678 GPRESSURE: 3341200 -380.368 -267.594 -371.612 -330.971 169.143 89.0061 -234.402 121.057 -156.22 PRESSAVG: 3341200 -29.5365 -27.0635 34.2135 -27.0635 63.3836 -5.82749 34.2135 -5.82747 -2.53464 GPRESSAVG: 3341200 -28.2682 -25.5921 34.9073 -27.8879 65.0399 -6.11483 35.5515 -5.37069 -5.10103 TIMING: 3341200 CPU: 10625.8, 0.0031196/step Wall: 10625.8, 0.0031196/step, 1.43744 hours remaining, 240.808594 MB of memory in use. ENERGY: 3341200 4018.3568 20608.9442 14518.0754 256.9837 -203259.8154 2409.5713 0.0000 0.0000 52567.6203 -108880.2636 302.1068 -161447.8839 -108512.2374 300.7446 -155.1503 -122.4818 760918.1495 10.4375 10.5569 PRESSURE: 3341400 224.539 106.129 -60.636 106.129 -223.24 189.835 -60.6339 189.835 27.3163 GPRESSURE: 3341400 192.85 -36.9905 -121.936 169.916 -138.085 234.108 24.933 111.88 57.2978 PRESSAVG: 3341400 -16.3276 -1.41228 -6.6712 -1.41223 7.95824 3.2867 -6.67122 3.28666 -5.92978 GPRESSAVG: 3341400 -16.7005 -1.5278 -6.09955 -2.874 6.82306 3.88823 -8.27758 3.32766 -4.39235 TIMING: 3341400 CPU: 10626.5, 0.00314114/step Wall: 10626.5, 0.00314114/step, 1.44719 hours remaining, 240.808594 MB of memory in use. ENERGY: 3341400 4119.1880 20606.2662 14379.6516 255.3919 -203172.5404 2500.4706 0.0000 0.0000 52170.3227 -109141.2494 299.8236 -161311.5721 -108782.3795 300.4552 9.5384 37.3541 761406.5102 -4.7664 -4.7566 PRESSURE: 3341600 -235.909 -9.91959 -11.3626 -9.91954 -16.6237 -143.684 -11.3623 -143.684 -45.4228 GPRESSURE: 3341600 -104.406 125.711 -39.5084 38.8876 -78.4865 -127.089 -120.503 -96.0409 -33.6874 PRESSAVG: 3341600 26.5804 1.24314 -8.84065 1.24319 -18.5378 -44.4883 -8.84067 -44.4883 6.57361 GPRESSAVG: 3341600 29.141 -1.42519 -9.39435 3.90188 -20.4304 -44.6553 -8.36084 -40.9478 6.35779 TIMING: 3341600 CPU: 10627.1, 0.00312309/step Wall: 10627.1, 0.00312309/step, 1.43871 hours remaining, 240.808594 MB of memory in use. ENERGY: 3341600 3945.1721 20603.6476 14534.4856 230.4013 -202931.7518 2489.8106 0.0000 0.0000 52104.5283 -109023.7063 299.4454 -161128.2346 -108656.5743 299.3782 -99.3184 -72.1933 763333.2586 4.8721 5.0228 PRESSURE: 3341800 505.199 -1.46352 227.009 -1.46264 43.1889 96.5702 227.009 96.5713 211.893 GPRESSURE: 3341800 512.501 -138.171 239.872 -0.720455 55.9104 196.525 135.812 -1.47006 306.677 PRESSAVG: 3341800 15.2563 -26.2014 24.1329 -26.2014 -9.88915 3.2651 24.1329 3.26512 6.36031 GPRESSAVG: 3341800 13.4349 -24.3398 23.9133 -28.9507 -8.69119 3.08967 22.1987 0.0610565 7.48082 TIMING: 3341800 CPU: 10627.7, 0.00313521/step Wall: 10627.7, 0.00313521/step, 1.44411 hours remaining, 240.808594 MB of memory in use. ENERGY: 3341800 3954.8535 20506.9759 14557.2561 229.8155 -202613.4308 2256.3593 0.0000 0.0000 52065.7149 -109042.4555 299.2224 -161108.1705 -108682.9431 299.8762 253.4268 291.6961 761859.2655 3.9091 4.0748 PRESSURE: 3342000 -179.105 33.9595 -53.796 33.9598 -309.356 144.883 -53.7966 144.882 41.7446 GPRESSURE: 3342000 -44.127 14.5679 -41.1508 -43.4225 -209.985 88.3382 -75.0087 167.076 -91.7631 PRESSAVG: 3342000 31.2004 0.715782 42.4387 0.7158 10.8217 30.5554 42.4387 30.5554 -0.172189 GPRESSAVG: 3342000 31.2532 0.609806 41.6232 -0.0938488 11.7091 30.5692 43.5561 30.8281 -0.699896 TIMING: 3342000 CPU: 10628.4, 0.00312115/step Wall: 10628.4, 0.00312115/step, 1.43746 hours remaining, 240.808594 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: 3342000 3915.5656 20690.5567 14474.2527 253.9085 -203291.6717 2666.1895 0.0000 0.0000 52200.6315 -109090.5673 299.9977 -161291.1988 -108726.7307 299.8590 -148.9058 -115.2918 762516.3893 13.9499 14.0874 PRESSURE: 3342200 383.406 34.1931 -203.928 34.1927 32.4227 -273.227 -203.928 -273.227 -16.4696 GPRESSURE: 3342200 406.228 50.7494 -231.002 35.9079 48.5174 -218.166 -99.3135 -97.7701 13.7126 PRESSAVG: 3342200 63.8057 32.0598 -60.2315 32.0599 -19.3953 49.5117 -60.2315 49.5118 14.7563 GPRESSAVG: 3342200 63.8831 31.2301 -62.5434 34.8072 -20.4655 50.1868 -57.8477 50.8854 14.934 TIMING: 3342200 CPU: 10629, 0.00311339/step Wall: 10629, 0.00311339/step, 1.43372 hours remaining, 240.808594 MB of memory in use. ENERGY: 3342200 3957.6035 20529.1496 14550.5674 241.1471 -203024.8486 2597.0368 0.0000 0.0000 52248.0109 -108901.3335 300.2700 -161149.3444 -108531.2315 300.0097 133.1198 156.1526 760606.4065 19.7222 19.4505 PRESSURE: 3342400 364.79 -156.212 7.40266 -156.212 277.654 -125.152 7.40323 -125.152 283.813 GPRESSURE: 3342400 399.764 -141.715 -19.5284 -132.101 386.591 -80.917 -101.187 -71.176 225.173 PRESSAVG: 3342400 44.8323 14.7952 -62.952 14.7952 -41.1203 10.2224 -62.952 10.2224 21.9933 GPRESSAVG: 3342400 46.0617 12.0029 -60.3451 14.0654 -42.1391 10.6737 -65.4216 7.73139 22.2632 TIMING: 3342400 CPU: 10629.6, 0.00314021/step Wall: 10629.6, 0.00314021/step, 1.44589 hours remaining, 240.808594 MB of memory in use. ENERGY: 3342400 3943.6721 20647.0324 14481.2363 260.6747 -203512.9184 2975.8387 0.0000 0.0000 52124.9297 -109079.5345 299.5627 -161204.4642 -108718.5990 300.0887 308.7525 337.1760 760104.8996 8.5684 8.7286 PRESSURE: 3342600 110.981 127.867 -86.3194 127.868 -189.641 -182.959 -86.32 -182.958 -111.458 GPRESSURE: 3342600 98.8333 53.8891 -137.59 234.74 -140.622 -145.561 -10.7402 -179.133 -61.0924 PRESSAVG: 3342600 27.6356 -9.24412 -19.249 -9.24405 -44.3912 30.8895 -19.2491 30.8895 -30.5458 GPRESSAVG: 3342600 27.5948 -5.42541 -19.6504 -11.0851 -44.6808 30.3267 -20.6453 32.0439 -30.0555 TIMING: 3342600 CPU: 10630.2, 0.00316918/step Wall: 10630.2, 0.00316918/step, 1.45905 hours remaining, 240.808594 MB of memory in use. ENERGY: 3342600 3967.8520 20535.5858 14495.1207 245.6177 -203158.8147 2685.7498 0.0000 0.0000 52286.3920 -108942.4967 300.4906 -161228.8887 -108590.2935 300.4199 -63.3725 -34.2937 762848.0051 -15.7672 -15.7138 PRESSURE: 3342800 -76.4124 -54.3698 26.5396 -54.3688 -108.592 99.0104 26.5405 99.0104 -109.989 GPRESSURE: 3342800 -130.444 -84.7324 1.73913 15.3584 32.3524 17.9031 -1.61494 46.1746 -78.5591 PRESSAVG: 3342800 -10.5686 39.2737 -58.0471 39.2737 -41.5818 12.8363 -58.0471 12.8362 -6.12588 GPRESSAVG: 3342800 -11.881 40.0226 -57.7915 38.392 -39.8746 10.6647 -55.4964 11.5594 -6.31079 TIMING: 3342800 CPU: 10630.9, 0.00315499/step Wall: 10630.9, 0.00315499/step, 1.45235 hours remaining, 240.808594 MB of memory in use. ENERGY: 3342800 4047.4394 20444.7339 14467.1552 228.1718 -203510.5464 2761.2311 0.0000 0.0000 52461.4025 -109100.4125 301.4964 -161561.8151 -108726.0345 300.5763 -98.3311 -58.8835 762159.8990 -19.4254 -19.3555 PRESSURE: 3343000 87.4685 -96.3162 -93.6939 -96.3169 272.111 -222.524 -93.6947 -222.524 -57.9762 GPRESSURE: 3343000 119.232 0.205221 -153.246 -44.7494 343.631 -114.908 -61.3125 -236.663 -55.8126 PRESSAVG: 3343000 50.8434 5.28924 -15.2053 5.28931 -48.5149 -16.447 -15.2053 -16.447 -0.03095 GPRESSAVG: 3343000 50.9937 5.60895 -14.405 6.79308 -48.6445 -15.0699 -14.7978 -16.2372 -0.477718 TIMING: 3343000 CPU: 10631.5, 0.00312175/step Wall: 10631.5, 0.00312176/step, 1.43687 hours remaining, 240.808594 MB of memory in use. ENERGY: 3343000 3968.4415 20740.9962 14545.7083 265.6232 -203033.5247 2706.5924 0.0000 0.0000 51805.9200 -109000.2433 297.7293 -160806.1632 -108646.1244 300.1674 100.5345 135.6836 763158.5167 0.7659 0.6238 PRESSURE: 3343200 80.2295 -32.2908 137.496 -32.2915 241.815 -95.5199 137.496 -95.5195 60.5266 GPRESSURE: 3343200 111.088 -86.3572 108.01 154.687 229.731 26.8599 136.145 -111.943 114.406 PRESSAVG: 3343200 83.9485 -30.5214 29.2562 -30.5214 -10.1067 -14.5825 29.2563 -14.5824 -6.88269 GPRESSAVG: 3343200 84.1989 -31.8103 27.1236 -30.2005 -11.1904 -14.4784 30.951 -14.6488 -6.50705 TIMING: 3343200 CPU: 10632.1, 0.00312995/step Wall: 10632.1, 0.00312995/step, 1.44047 hours remaining, 240.808594 MB of memory in use. ENERGY: 3343200 3913.8783 20533.0934 14508.0615 256.8328 -203504.8694 2867.4886 0.0000 0.0000 52292.3001 -109133.2146 300.5246 -161425.5148 -108764.5404 300.0323 127.5236 151.7417 761364.1024 22.3197 22.1672 PRESSURE: 3343400 -173.223 39.0936 -27.8354 39.0933 255.821 -12.416 -27.8359 -12.4163 -368.784 GPRESSURE: 3343400 -32.859 -41.7518 -12.3801 23.7829 155.172 -107.729 -49.4375 14.1142 -333.768 PRESSAVG: 3343400 12.9706 16.018 -46.5573 16.0179 0.317575 43.6686 -46.5573 43.6686 -22.8845 GPRESSAVG: 3343400 13.8981 14.9083 -44.3779 16.3107 -0.0445055 42.7314 -50.9036 43.4582 -23.7044 TIMING: 3343400 CPU: 10632.7, 0.0031206/step Wall: 10632.7, 0.0031206/step, 1.436 hours remaining, 240.808594 MB of memory in use. ENERGY: 3343400 3987.3521 20747.1823 14535.3244 236.1981 -203132.5274 2412.2448 0.0000 0.0000 52296.1323 -108918.0934 300.5466 -161214.2257 -108549.9127 300.2852 -95.3955 -70.4850 761711.4621 -3.1988 -3.2836 PRESSURE: 3343600 49.6422 120.251 -4.69874 120.251 225.799 81.6435 -4.69844 81.6432 214.02 GPRESSURE: 3343600 136.152 150.73 0.73405 219.427 214.297 11.7808 -4.17318 20.9969 222.894 PRESSAVG: 3343600 15.1025 -15.506 -11.4023 -15.506 -4.82981 51.1264 -11.4023 51.1264 4.81174 GPRESSAVG: 3343600 15.1686 -12.3791 -11.5343 -16.3328 -4.32836 51.3621 -9.37581 49.0254 4.11572 TIMING: 3343600 CPU: 10633.4, 0.00313043/step Wall: 10633.4, 0.00313043/step, 1.44035 hours remaining, 240.808594 MB of memory in use. ENERGY: 3343600 3999.6872 20614.2170 14479.7031 262.1318 -203197.5898 2671.6264 0.0000 0.0000 52261.8437 -108908.3805 300.3495 -161170.2242 -108542.7702 300.1734 163.1537 191.1141 760772.6142 5.0282 4.9853 PRESSURE: 3343800 -64.3105 -100.324 56.1953 -100.324 -314.788 76.1546 56.1942 76.1532 86.1109 GPRESSURE: 3343800 -14.8986 -0.573082 98.9547 -14.827 -245.499 75.9067 43.4295 159.364 48.1879 PRESSAVG: 3343800 19.1519 18.2415 -14.9034 18.2415 -40.669 11.1966 -14.9033 11.1965 -7.86635 GPRESSAVG: 3343800 18.5408 16.8142 -15.6173 20.9554 -41.279 9.82591 -14.024 14.6966 -5.97472 TIMING: 3343800 CPU: 10634, 0.00313358/step Wall: 10634, 0.00313358/step, 1.44162 hours remaining, 240.808594 MB of memory in use. ENERGY: 3343800 3948.8289 20509.6546 14445.1790 244.9825 -203422.2857 2956.8542 0.0000 0.0000 52456.7108 -108860.0757 301.4694 -161316.7865 -108494.3367 300.3428 -97.6627 -70.7366 762710.6783 -9.7945 -9.5709 PRESSURE: 3344000 -145.686 -33.5781 -31.9677 -33.5779 12.085 -0.499007 -31.9687 -0.498258 210.021 GPRESSURE: 3344000 4.02933 -103.331 -119.6 -97.74 -24.3853 70.5338 -79.2044 9.24409 182.698 PRESSAVG: 3344000 -24.6076 7.33797 -25.5253 7.33789 -44.2283 -13.7682 -25.5254 -13.7682 -10.5935 GPRESSAVG: 3344000 -24.9921 6.10744 -26.0375 4.31198 -43.1445 -12.9239 -24.9369 -15.7151 -11.2424 TIMING: 3344000 CPU: 10634.6, 0.003136/step Wall: 10634.6, 0.003136/step, 1.44256 hours remaining, 240.808594 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: 3344000 3938.7476 20352.3109 14559.9534 233.5636 -202876.7140 2554.3385 0.0000 0.0000 52370.1484 -108867.6515 300.9720 -161237.7999 -108489.4980 300.3197 25.4736 54.1141 763507.2121 -26.4765 -26.4596 PRESSURE: 3344200 206.441 -395.502 -172.869 -395.502 -135.679 256.261 -172.869 256.262 -104.914 GPRESSURE: 3344200 258.597 -303.968 -133.169 -318.696 -50.8922 206.134 -42.9953 259.401 -148.352 PRESSAVG: 3344200 49.8707 -6.33445 -2.55016 -6.33438 -8.63298 27.672 -2.55014 27.672 -14.9186 GPRESSAVG: 3344200 51.4045 -4.1769 -1.86743 -6.72377 -9.47239 27.0123 -2.4136 28.7449 -15.311 TIMING: 3344200 CPU: 10635.3, 0.00315279/step Wall: 10635.3, 0.00315279/step, 1.45011 hours remaining, 240.808594 MB of memory in use. ENERGY: 3344200 3974.4024 20651.1267 14472.0396 241.9282 -203146.5177 2660.9918 0.0000 0.0000 51970.9102 -109175.1187 298.6775 -161146.0290 -108810.9676 299.7076 -11.3841 19.7842 760661.6432 8.7730 8.8737 LDB: ============= START OF LOAD BALANCING ============== 10647.7 LDB: ============== END OF LOAD BALANCING =============== 10647.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10647.7 LDB: ============= START OF LOAD BALANCING ============== 10648 LDB: Largest compute 7070 load 0.037405 is 19.1% of average load 0.195469 LDB: Average compute 0.004393 is 2.2% of average load 0.195469 LDB: TIME 10648 LOAD: AVG 0.195469 MAX 0.216027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10648 LOAD: AVG 0.195469 MAX 0.216027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: TIME 10648 LOAD: AVG 0.195469 MAX 0.216027 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: ============== END OF LOAD BALANCING =============== 10648 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 PRESSURE: 3344400 -114.781 -89.8162 255.109 -89.8167 -329.224 -77.0443 255.11 -77.0437 -522.043 GPRESSURE: 3344400 -112.835 30.6359 192.414 -39.6246 -273.703 -131.572 195.754 44.0887 -495.829 PRESSAVG: 3344400 38.0339 -24.2112 -11.8951 -24.2112 -71.7497 -40.0511 -11.8951 -40.0511 8.29172 GPRESSAVG: 3344400 36.4025 -26.0324 -12.2541 -23.5203 -71.5121 -39.1366 -11.5709 -40.4358 9.00016 TIMING: 3344400 CPU: 10635.9, 0.00321788/step Wall: 10635.9, 0.00321788/step, 1.47987 hours remaining, 239.015625 MB of memory in use. ENERGY: 3344400 3907.1476 20471.8399 14409.7543 252.0454 -203269.6484 2620.5331 0.0000 0.0000 52229.6966 -109378.6315 300.1648 -161608.3281 -109003.1376 298.8646 -322.0161 -294.1225 764087.6720 -8.4747 -8.7032 PRESSURE: 3344600 25.7364 -117.178 -80.8224 -117.178 -146.279 -75.6847 -80.8223 -75.6851 146.994 GPRESSURE: 3344600 53.411 -155.301 -126.331 -94.2434 -63.0044 -155.306 -0.671248 -46.3738 131.762 PRESSAVG: 3344600 66.8298 -25.0997 68.5846 -25.0997 -98.2254 -37.8108 68.5846 -37.8107 -0.565784 GPRESSAVG: 3344600 67.7318 -24.2097 69.1831 -24.5658 -97.9334 -38.7652 70.2486 -37.6297 -1.15835 TIMING: 3344600 CPU: 10636.5, 0.0031562/step Wall: 10636.5, 0.0031562/step, 1.45132 hours remaining, 239.015625 MB of memory in use. ENERGY: 3344600 3990.4547 20653.7893 14421.1655 242.8069 -203309.4411 2712.0040 0.0000 0.0000 51836.2574 -109452.9633 297.9037 -161289.2208 -109091.8563 298.5707 8.8170 40.7227 761395.0399 -10.6538 -10.4533 PRESSURE: 3344800 111.786 -50.6757 113.175 -50.6762 56.7207 64.501 113.174 64.502 -35.0086 GPRESSURE: 3344800 165.073 -59.4801 136.88 -30.8926 35.2925 -13.3086 -28.9957 136.334 12.6686 PRESSAVG: 3344800 27.1129 -35.432 25.9998 -35.4321 -18.9878 15.0686 25.9999 15.0686 -3.79335 GPRESSAVG: 3344800 27.302 -35.3614 26.4614 -35.7348 -19.3027 16.1468 23.3468 14.0899 -4.14814 TIMING: 3344800 CPU: 10637.2, 0.00314739/step Wall: 10637.2, 0.00314739/step, 1.4471 hours remaining, 239.015625 MB of memory in use. ENERGY: 3344800 3940.5156 20485.0951 14497.0989 243.2223 -203388.9733 2701.9410 0.0000 0.0000 52184.1597 -109336.9406 299.9031 -161521.1004 -108972.4256 298.8508 44.4993 71.0115 762407.6924 1.4439 1.2837 PRESSURE: 3345000 -97.8302 -85.214 -245.832 -85.2144 -129.198 89.1135 -245.832 89.1139 -37.1388 GPRESSURE: 3345000 17.1558 -45.2586 -215.106 -35.0329 -154.656 126.68 -161.009 -10.1913 -34.3141 PRESSAVG: 3345000 30.2316 4.19688 -30.1535 4.19689 -2.9162 67.9431 -30.1535 67.9431 -9.46233 GPRESSAVG: 3345000 30.1548 3.06295 -29.6582 3.79891 -2.67312 68.1273 -32.3036 70.0296 -9.1405 TIMING: 3345000 CPU: 10637.8, 0.00313023/step Wall: 10637.8, 0.00313023/step, 1.43903 hours remaining, 239.015625 MB of memory in use. ENERGY: 3345000 3905.2695 20462.7178 14544.2975 233.6063 -203683.9293 2615.0107 0.0000 0.0000 52369.9668 -109553.0608 300.9709 -161923.0276 -109190.2922 299.4844 -88.0556 -57.2713 760035.4865 5.9510 6.1137 PRESSURE: 3345200 -269.993 -20.1637 84.0371 -20.1638 -339.777 175.718 84.0371 175.718 -184.423 GPRESSURE: 3345200 -230.266 96.7093 77.5002 -76.1282 -339.819 174.082 41.7711 82.5511 -161.394 PRESSAVG: 3345200 -0.936659 -49.2767 14.1665 -49.2767 -27.2887 16.4909 14.1665 16.4908 -1.37191 GPRESSAVG: 3345200 -1.70923 -47.0883 13.6676 -48.4204 -26.9774 15.7487 14.5831 14.543 -0.670861 TIMING: 3345200 CPU: 10638.4, 0.00313676/step Wall: 10638.4, 0.00313676/step, 1.44187 hours remaining, 239.015625 MB of memory in use. ENERGY: 3345200 3985.5782 20465.1125 14410.1723 259.9942 -203836.7987 2743.0677 0.0000 0.0000 52227.5161 -109745.3577 300.1523 -161972.8739 -109383.5336 298.9546 -264.7308 -243.8263 760761.7356 -9.8658 -9.7858 PRESSURE: 3345400 48.5424 -121.515 -127.939 -121.515 8.14087 128.024 -127.939 128.023 -226.987 GPRESSURE: 3345400 -4.7125 -74.6678 -72.6175 -54.0789 75.9651 40.5204 -44.0468 96.0885 -171.03 PRESSAVG: 3345400 3.78406 -40.1027 -4.39232 -40.1027 -4.13169 59.7481 -4.39231 59.7481 -14.7119 GPRESSAVG: 3345400 4.44891 -39.9021 -5.19539 -41.3346 -3.77428 58.024 -1.39075 60.418 -16.1121 TIMING: 3345400 CPU: 10639, 0.00314133/step Wall: 10639, 0.00314133/step, 1.44379 hours remaining, 239.015625 MB of memory in use. ENERGY: 3345400 3985.3249 20555.9758 14461.0864 250.5665 -203359.2030 2461.8985 0.0000 0.0000 51724.5939 -109919.7570 297.2620 -161644.3509 -109561.5334 298.4938 -56.7680 -33.2593 761320.8762 -5.0198 -5.1458 PRESSURE: 3345600 78.62 25.9807 -23.4652 25.9805 -106.577 46.0477 -23.4647 46.0471 -336.243 GPRESSURE: 3345600 179.903 66.8771 27.0774 2.94797 -63.9049 45.0392 -14.0297 92.5745 -375.809 PRESSAVG: 3345600 43.095 -42.1597 -52.3191 -42.1598 -73.1174 38.015 -52.3191 38.015 2.78286 GPRESSAVG: 3345600 42.693 -43.9642 -51.1566 -40.218 -74.2825 39.468 -53.874 36.5639 4.42296 TIMING: 3345600 CPU: 10639.7, 0.00314728/step Wall: 10639.7, 0.00314728/step, 1.44635 hours remaining, 239.015625 MB of memory in use. ENERGY: 3345600 3956.4568 20483.8368 14398.9347 231.9908 -203175.1221 2220.9663 0.0000 0.0000 51839.0701 -110043.8666 297.9198 -161882.9367 -109681.9459 297.8714 -121.4001 -86.6035 759967.8544 -9.0798 -9.0555 PRESSURE: 3345800 -186.408 -69.7469 -95.314 -69.7461 -63.1858 -76.295 -95.3146 -76.2952 158.885 GPRESSURE: 3345800 -95.9621 -149.488 -103.638 -49.0129 -80.3694 -121.624 64.1798 -60.4345 181.502 PRESSAVG: 3345800 41.1423 -18.4708 -9.29902 -18.4708 -15.349 8.11108 -9.29908 8.11107 -19.0989 GPRESSAVG: 3345800 40.9917 -16.5615 -8.40584 -18.2371 -15.4849 6.24922 -11.2146 10.0443 -19.5134 TIMING: 3345800 CPU: 10640.3, 0.00312245/step Wall: 10640.3, 0.00312245/step, 1.43477 hours remaining, 239.015625 MB of memory in use. ENERGY: 3345800 4023.7740 20479.8753 14436.5833 234.6234 -203796.2691 2721.0443 0.0000 0.0000 51862.2066 -110038.1622 298.0528 -161900.3688 -109670.0889 297.5807 -30.2362 1.7234 759670.9749 2.2315 1.9978 PRESSURE: 3346000 -198.309 -181.873 -7.10913 -181.874 112.399 173.696 -7.10979 173.696 -154.052 GPRESSURE: 3346000 -27.7661 -134.012 -57.4155 -97.5533 99.5214 121.892 -51.5184 164.98 -218.14 PRESSAVG: 3346000 28.8669 -20.3958 -41.4053 -20.3958 -14.5668 33.1757 -41.4053 33.1757 -8.29232 GPRESSAVG: 3346000 28.705 -22.7636 -42.9059 -20.172 -13.7119 34.0552 -39.2826 32.8114 -8.72263 TIMING: 3346000 CPU: 10640.9, 0.00312643/step Wall: 10640.9, 0.00312643/step, 1.43642 hours remaining, 239.015625 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: 3346000 3960.0123 20494.5124 14456.1227 258.5161 -203219.6852 2369.9334 0.0000 0.0000 51494.6700 -110185.9183 295.9406 -161680.5883 -109822.4748 297.3525 -79.9871 -48.7950 760959.5637 2.0026 2.0902 PRESSURE: 3346200 28.6561 23.5524 1.61628 23.5529 93.3286 -96.1598 1.616 -96.1592 292.154 GPRESSURE: 3346200 8.86662 52.6084 -128.161 28.5406 174.905 86.2166 -44.9474 -150.843 320.251 PRESSAVG: 3346200 38.1692 -8.30301 56.7344 -8.30299 -28.7117 -6.56655 56.7344 -6.5665 13.4955 GPRESSAVG: 3346200 38.2219 -4.4026 56.1859 -10.4356 -30.4848 -5.57726 55.2101 -7.2703 14.8647 TIMING: 3346200 CPU: 10641.5, 0.00311905/step Wall: 10641.5, 0.00311905/step, 1.43286 hours remaining, 239.015625 MB of memory in use. ENERGY: 3346200 3976.4052 20490.0629 14484.1269 243.4695 -203963.3078 2874.5424 0.0000 0.0000 51895.4660 -109999.2349 298.2440 -161894.7009 -109641.9301 297.3905 138.0462 168.0074 760599.4400 7.6510 7.5340 PRESSURE: 3346400 145.545 -72.7086 -17.1136 -72.71 -51.2083 326.052 -17.1124 326.052 60.5764 GPRESSURE: 3346400 212.324 -55.9469 -35.266 -46.1663 -6.88072 334.347 118.802 229.91 49.1471 PRESSAVG: 3346400 -0.919458 24.832 -14.9235 24.832 14.2922 5.96564 -14.9234 5.96574 11.525 GPRESSAVG: 3346400 -0.925469 22.6475 -14.2288 25.4032 15.6955 4.95608 -14.2845 4.74919 9.73148 TIMING: 3346400 CPU: 10642.2, 0.00313078/step Wall: 10642.2, 0.00313078/step, 1.43807 hours remaining, 239.015625 MB of memory in use. ENERGY: 3346400 3980.6238 20517.2977 14522.6877 242.0854 -203849.8396 3099.3595 0.0000 0.0000 51526.1043 -109961.6812 296.1212 -161487.7855 -109610.7723 297.8255 51.6377 84.8635 760496.9086 8.2992 8.1672 PRESSURE: 3346600 243.342 73.1468 42.1063 73.1465 239.356 -77.1331 42.1061 -77.1333 -128.947 GPRESSURE: 3346600 311.024 72.2294 117.649 32.084 249.476 -5.99535 8.35887 -75.7132 -99.6465 PRESSAVG: 3346600 2.19447 8.80662 7.6062 8.80659 -36.1866 28.1478 7.60616 28.1477 -0.76379 GPRESSAVG: 3346600 2.40221 8.93143 8.44316 7.55708 -36.95 29.2435 8.45475 27.9846 -0.348396 TIMING: 3346600 CPU: 10642.8, 0.0031332/step Wall: 10642.8, 0.0031332/step, 1.43901 hours remaining, 239.015625 MB of memory in use. ENERGY: 3346600 3955.8252 20294.1083 14495.7022 271.0923 -203523.3086 2756.6230 0.0000 0.0000 51932.8143 -109817.1433 298.4586 -161749.9576 -109453.8934 298.3119 117.9168 153.6176 759849.0848 -11.5853 -11.6321 PRESSURE: 3346800 -276.976 15.0834 -155.061 15.0837 -272.63 -33.2184 -155.061 -33.2183 -320.606 GPRESSURE: 3346800 -215.372 10.8674 -327.214 82.0212 -251.598 -111.371 -38.4891 -79.3227 -326.017 PRESSAVG: 3346800 72.7303 -51.8619 -15.7165 -51.8619 -9.29546 3.72697 -15.7164 3.72693 -9.28941 GPRESSAVG: 3346800 72.3252 -52.3113 -16.9094 -47.6532 -8.37099 3.03463 -16.2216 5.89887 -9.89589 TIMING: 3346800 CPU: 10643.4, 0.00312408/step Wall: 10643.4, 0.00312408/step, 1.43465 hours remaining, 239.015625 MB of memory in use. ENERGY: 3346800 4026.7306 20647.7138 14485.7266 242.3295 -203624.5434 2751.1734 0.0000 0.0000 51820.3394 -109650.5300 297.8122 -161470.8695 -109293.9676 298.3980 -290.0704 -264.3288 760699.8711 18.0485 18.0194 PRESSURE: 3347000 -128.237 218.801 114.207 218.8 -524.405 212.095 114.207 212.094 -68.688 GPRESSURE: 3347000 -88.2974 205.049 43.7261 146.935 -509.643 268.48 56.4114 310.157 -26.6794 PRESSAVG: 3347000 41.0231 38.6288 -64.7594 38.6288 -61.6966 12.0573 -64.7594 12.0572 -0.329557 GPRESSAVG: 3347000 41.1235 40.6441 -65.7935 34.598 -62.2452 13.0522 -64.6204 12.2317 -0.0852589 TIMING: 3347000 CPU: 10644.1, 0.00315145/step Wall: 10644.1, 0.00315145/step, 1.44704 hours remaining, 239.015625 MB of memory in use. ENERGY: 3347000 3996.7033 20476.7641 14487.8646 223.9751 -203109.6514 2409.7911 0.0000 0.0000 51971.8052 -109542.7479 298.6827 -161514.5531 -109192.1459 299.0049 -240.4434 -208.2065 761512.7356 -7.0010 -7.0690 PRESSURE: 3347200 -388.261 -15.0933 -73.8411 -15.0935 -77.5769 -197.497 -73.8409 -197.497 171.283 GPRESSURE: 3347200 -376.072 -9.87767 -5.10174 -140.338 -79.3303 -215.854 -162.534 -209.786 245.363 PRESSAVG: 3347200 21.6668 -37.8047 -16.7178 -37.8047 -25.6137 -21.7311 -16.7178 -21.7311 -4.24671 GPRESSAVG: 3347200 21.4713 -38.8304 -15.6548 -35.429 -26.2603 -20.602 -16.0212 -23.4105 -3.18888 TIMING: 3347200 CPU: 10644.7, 0.00312235/step Wall: 10644.7, 0.00312235/step, 1.43351 hours remaining, 239.015625 MB of memory in use. ENERGY: 3347200 3976.0316 20444.9362 14509.9160 249.4508 -203210.3658 2622.6743 0.0000 0.0000 51869.0192 -109538.3376 298.0920 -161407.3568 -109184.1021 298.9211 -98.1849 -70.0131 762303.1453 -2.7312 -2.6593 PRESSURE: 3347400 315.977 -97.6195 -132.206 -97.6197 25.8243 176.708 -132.207 176.708 -323.051 GPRESSURE: 3347400 306.456 -73.4188 -178.124 -102.004 143.507 171.052 -127.354 135.529 -319.643 PRESSAVG: 3347400 -1.36511 7.30023 -34.8052 7.30021 11.4564 -38.5061 -34.8052 -38.5061 15.2347 GPRESSAVG: 3347400 -2.02311 7.29114 -35.3953 5.72322 13.6089 -41.6415 -33.7461 -37.8529 13.8952 TIMING: 3347400 CPU: 10645.3, 0.00311789/step Wall: 10645.3, 0.00311789/step, 1.43129 hours remaining, 239.015625 MB of memory in use. ENERGY: 3347400 4059.4107 20263.8446 14575.7055 218.5693 -203214.9833 2740.7841 0.0000 0.0000 51919.9389 -109436.7303 298.3846 -161356.6692 -109069.3911 298.8879 6.2499 43.4402 760805.4126 8.4420 8.4937 PRESSURE: 3347600 102.036 134.472 -60.2036 134.471 -87.5615 21.6638 -60.204 21.6635 -33.6667 GPRESSURE: 3347600 143.255 69.5884 -19.5841 40.8101 -42.7982 86.7094 54.001 -85.6326 -31.8066 PRESSAVG: 3347600 -23.4929 36.8766 15.0503 36.8766 49.4571 49.0036 15.0503 49.0036 -14.3144 GPRESSAVG: 3347600 -21.5993 35.217 16.5521 38.7433 48.15 51.0791 12.9421 49.7029 -15.09 TIMING: 3347600 CPU: 10645.9, 0.00312977/step Wall: 10645.9, 0.00312977/step, 1.43657 hours remaining, 239.015625 MB of memory in use. ENERGY: 3347600 4012.7584 20512.2392 14444.7857 231.0236 -203142.5900 2358.2394 0.0000 0.0000 52159.0960 -109424.4477 299.7590 -161583.5437 -109065.9126 298.7969 -6.3973 22.8833 759879.9905 3.8833 3.8203 PRESSURE: 3347800 -346.406 -57.7864 -236.838 -57.7863 -107.769 145.777 -236.838 145.778 -489.243 GPRESSURE: 3347800 -272.239 -68.9062 -183.529 82.0656 -128.435 39.3659 -265.599 121.043 -444.338 PRESSAVG: 3347800 11.2118 0.576023 -13.7492 0.576008 51.2501 -4.38415 -13.7492 -4.38415 -14.7817 GPRESSAVG: 3347800 11.2505 0.737589 -14.7756 0.584036 50.6418 -4.03923 -11.7812 -4.1044 -14.5176 TIMING: 3347800 CPU: 10646.6, 0.00315486/step Wall: 10646.6, 0.00315486/step, 1.44791 hours remaining, 239.015625 MB of memory in use. ENERGY: 3347800 4014.1001 20620.1625 14537.6132 263.8350 -202874.8043 2181.4364 0.0000 0.0000 52056.2069 -109201.4503 299.1677 -161257.6572 -108840.7248 299.2132 -314.4724 -281.6706 761187.4216 15.8934 15.7916 PRESSURE: 3348000 -74.6642 248.444 301.708 248.444 -301.48 -185.081 301.708 -185.082 63.1655 GPRESSURE: 3348000 19.2206 182.141 282.893 247.834 -244.708 -77.4742 299.385 -55.8117 -6.19027 PRESSAVG: 3348000 -6.62062 18.3168 -29.5112 18.3168 -33.9389 0.229181 -29.5112 0.229221 15.3094 GPRESSAVG: 3348000 -7.45253 19.4469 -28.0157 18.4496 -33.0317 0.021235 -30.256 -0.207964 14.7578 TIMING: 3348000 CPU: 10647.2, 0.00315287/step Wall: 10647.2, 0.00315287/step, 1.44682 hours remaining, 239.015625 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: 3348000 3934.9563 20633.6450 14467.5551 239.4518 -203126.2699 2423.5599 0.0000 0.0000 52103.1360 -109323.9657 299.4374 -161427.1017 -108961.1441 299.2704 -104.3263 -77.2258 761710.4867 -8.4167 -8.5755 PRESSURE: 3348200 -200.597 80.5682 -234.867 80.5683 -87.3494 -197.226 -234.867 -197.227 108.111 GPRESSURE: 3348200 -139.81 102.595 -264.089 25.9969 -107.708 -224.042 -81.9954 -72.1111 131.902 PRESSAVG: 3348200 24.2973 55.1373 -6.2237 55.1373 -25.8439 29.9525 -6.22376 29.9525 -15.7375 GPRESSAVG: 3348200 24.3776 57.6438 -7.72166 53.1698 -26.0243 29.7558 -7.53904 29.9047 -15.837 TIMING: 3348200 CPU: 10647.8, 0.00315061/step Wall: 10647.8, 0.00315061/step, 1.44561 hours remaining, 239.015625 MB of memory in use. ENERGY: 3348200 3971.9860 20616.2862 14464.4723 239.0066 -203063.1696 2431.5111 0.0000 0.0000 52077.0421 -109262.8653 299.2875 -161339.9074 -108903.3529 299.4849 -59.9452 -38.5389 763769.0143 -5.7613 -5.8279 LDB: ============= START OF LOAD BALANCING ============== 10660.3 LDB: ============== END OF LOAD BALANCING =============== 10660.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10660.3 LDB: ============= START OF LOAD BALANCING ============== 10660.6 LDB: Largest compute 7070 load 0.036397 is 18.6% of average load 0.195471 LDB: Average compute 0.004379 is 2.2% of average load 0.195471 LDB: TIME 10660.6 LOAD: AVG 0.195471 MAX 0.214192 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10660.6 LOAD: AVG 0.195471 MAX 0.214192 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 10660.6 LOAD: AVG 0.195471 MAX 0.214192 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 10660.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10660.6 PRESSURE: 3348400 290.157 31.6662 -130.453 31.6655 35.9076 148.352 -130.452 148.353 194.63 GPRESSURE: 3348400 352.501 58.1361 -79.3434 -13.8653 17.7769 109.503 -125.519 12.8933 233.271 PRESSAVG: 3348400 16.4417 2.07599 -28.2697 2.07595 -7.24037 -0.414591 -28.2698 -0.414659 9.7399 GPRESSAVG: 3348400 17.3878 1.48837 -27.7908 1.87093 -7.69174 -2.18588 -25.8375 1.33742 9.22856 TIMING: 3348400 CPU: 10648.5, 0.00319581/step Wall: 10648.5, 0.00319581/step, 1.46617 hours remaining, 240.808594 MB of memory in use. ENERGY: 3348400 4055.0397 20544.5613 14467.8741 258.3374 -203609.5106 2748.0474 0.0000 0.0000 52207.9620 -109327.6886 300.0399 -161535.6506 -108974.0643 299.6011 173.5650 201.1831 759537.8972 6.3137 6.3082 PRESSURE: 3348600 -346.332 -193.704 -29.9741 -193.704 -208.401 -15.841 -29.9745 -15.8409 -203.531 GPRESSURE: 3348600 -278.075 -228.567 -47.0353 -316.216 -254.851 5.02599 145.194 35.0989 -130.93 PRESSAVG: 3348600 6.92404 13.7334 -36.8425 13.7333 44.0878 -45.0488 -36.8425 -45.0488 -32.3819 GPRESSAVG: 3348600 5.9647 11.5504 -35.5865 15.1926 43.8489 -44.1458 -36.3228 -45.9029 -30.53 TIMING: 3348600 CPU: 10649.1, 0.00314377/step Wall: 10649.1, 0.00314377/step, 1.44212 hours remaining, 241.011719 MB of memory in use. ENERGY: 3348600 3988.6324 20538.2322 14454.6674 225.3012 -203415.6002 2498.1964 0.0000 0.0000 52144.2433 -109566.3273 299.6737 -161710.5706 -109195.4225 298.9485 -252.7546 -221.2853 762460.0380 6.2100 6.4278 PRESSURE: 3348800 205.67 -196.678 106.737 -196.678 138.077 30.3898 106.74 30.3898 96.2893 GPRESSURE: 3348800 153.111 -353.066 102.139 -234.545 221.643 46.1905 104.211 -21.0112 157.634 PRESSAVG: 3348800 25.3496 -38.2355 41.7728 -38.2355 -17.2594 47.5342 41.7727 47.5341 2.69551 GPRESSAVG: 3348800 24.8513 -38.2096 40.2556 -37.7517 -16.6994 46.7811 41.3507 47.4856 3.03338 TIMING: 3348800 CPU: 10649.7, 0.00314436/step Wall: 10649.7, 0.00314436/step, 1.44221 hours remaining, 241.011719 MB of memory in use. ENERGY: 3348800 3993.8914 20526.4399 14447.7156 241.3132 -203744.1301 3174.0667 0.0000 0.0000 51853.0703 -109507.6329 298.0003 -161360.7033 -109145.2510 298.6119 146.6789 177.4627 762003.0300 3.5952 3.7284 PRESSURE: 3349000 -18.023 108.635 21.4575 108.635 -121.346 71.9335 21.4577 71.9348 14.5781 GPRESSURE: 3349000 147.778 87.7845 -58.2956 175.979 -183.246 -34.2487 29.5082 -20.924 -13.6389 PRESSAVG: 3349000 27.598 16.2394 4.06903 16.2395 -41.8954 41.2139 4.06901 41.2139 1.9865 GPRESSAVG: 3349000 27.2275 14.957 3.19337 17.5688 -41.5643 41.4494 2.66437 38.9802 1.54697 TIMING: 3349000 CPU: 10650.3, 0.00313959/step Wall: 10650.3, 0.00313959/step, 1.43985 hours remaining, 241.011719 MB of memory in use. ENERGY: 3349000 3955.0400 20618.2360 14459.7002 276.5421 -203352.7714 2612.7250 0.0000 0.0000 52000.6702 -109429.8580 298.8486 -161430.5283 -109073.2738 299.4236 -41.5970 -16.3690 762280.1448 -4.1037 -4.2633 PRESSURE: 3349200 169.529 -147.67 -229.419 -147.671 -53.1565 97.5172 -229.419 97.517 -209.411 GPRESSURE: 3349200 195.748 -204.1 -156.284 -110.652 -33.4181 137.557 -228.775 174.485 -162.693 PRESSAVG: 3349200 50.6356 24.4015 -31.9624 24.4015 -46.3451 39.5203 -31.9624 39.5203 23.7578 GPRESSAVG: 3349200 51.4689 25.1046 -31.4581 22.1766 -48.2925 42.6614 -32.0148 39.9486 24.0582 TIMING: 3349200 CPU: 10651, 0.00316305/step Wall: 10651, 0.00316305/step, 1.45044 hours remaining, 241.011719 MB of memory in use. ENERGY: 3349200 4011.7935 20412.0814 14528.3606 230.6918 -203245.7374 2784.0536 0.0000 0.0000 51900.9911 -109377.7654 298.2757 -161278.7565 -109013.3700 299.3188 -31.0129 -0.1213 760820.9981 9.3495 9.0782 PRESSURE: 3349400 -319.676 -52.6199 21.2919 -52.6199 -131.546 277.208 21.2919 277.207 58.116 GPRESSURE: 3349400 -222.728 -6.346 59.5295 20.4983 -134.3 294.739 -56.8106 146.308 49.0688 PRESSAVG: 3349400 12.9877 19.9028 -18.6475 19.9027 -24.3764 15.6928 -18.6475 15.6929 -22.6704 GPRESSAVG: 3349400 13.6902 19.6425 -18.9437 23.052 -23.7794 13.0565 -17.8802 15.7608 -24.203 TIMING: 3349400 CPU: 10651.6, 0.00311672/step Wall: 10651.6, 0.00311672/step, 1.42902 hours remaining, 241.011719 MB of memory in use. ENERGY: 3349400 3951.9929 20523.8049 14519.3525 239.0234 -202700.7325 2174.0787 0.0000 0.0000 51916.3842 -109376.0960 298.3642 -161292.4802 -109012.5295 299.1662 -131.0354 -102.6530 761537.9713 -11.3530 -11.4307 PRESSURE: 3349600 -76.8402 232.198 -98.5215 232.199 -360.624 20.3879 -98.5216 20.3866 114.75 GPRESSURE: 3349600 26.7439 282.245 -174.664 200.293 -322.075 46.1278 -26.2304 93.9835 81.4016 PRESSAVG: 3349600 2.06834 -48.3586 -32.7461 -48.3587 -29.6644 15.3057 -32.7461 15.3057 8.31481 GPRESSAVG: 3349600 1.62799 -45.7856 -32.8766 -50.5895 -29.2794 15.9233 -32.1544 16.3898 8.56806 TIMING: 3349600 CPU: 10652.2, 0.00312764/step Wall: 10652.2, 0.00312764/step, 1.43385 hours remaining, 241.011719 MB of memory in use. ENERGY: 3349600 4086.0352 20641.9274 14463.4611 265.8524 -203049.7763 2359.9848 0.0000 0.0000 52013.2938 -109219.2217 298.9211 -161232.5155 -108851.0549 299.3919 -107.5714 -71.3099 761123.4517 -6.4271 -6.3611 PRESSURE: 3349800 -390.5 -78.2705 170.465 -78.2705 -145.423 318.566 170.465 318.566 -278.055 GPRESSURE: 3349800 -415.889 -97.3529 120.112 -204.664 -56.4209 338.803 33.6448 275.097 -238.22 PRESSAVG: 3349800 18.1895 -37.9787 1.66743 -37.9787 0.411032 42.407 1.66743 42.407 6.95825 GPRESSAVG: 3349800 17.8212 -38.3398 2.22574 -40.104 -0.227151 43.2182 1.074 42.4127 7.06365 TIMING: 3349800 CPU: 10652.9, 0.00314924/step Wall: 10652.9, 0.00314924/step, 1.44358 hours remaining, 241.011719 MB of memory in use. ENERGY: 3349800 4054.1067 20438.3339 14418.9482 230.9596 -203285.7768 2450.0014 0.0000 0.0000 52267.8959 -109425.5311 300.3843 -161693.4269 -109052.0322 299.7938 -271.3260 -236.8433 760903.6592 8.5196 8.2192 PRESSURE: 3350000 41.9329 124.44 -132.519 124.44 67.769 51.0419 -132.519 51.0421 -50.7467 GPRESSURE: 3350000 13.3919 111.564 -97.158 37.1657 111.911 90.5221 -102.504 -50.9553 14.035 PRESSAVG: 3350000 -43.2569 -21.0611 21.3887 -21.061 65.9427 28.7758 21.3887 28.7758 -12.5209 GPRESSAVG: 3350000 -43.9501 -19.6829 21.7188 -19.8727 65.2431 27.2888 21.9988 27.7885 -12.3793 TIMING: 3350000 CPU: 10653.5, 0.00314282/step Wall: 10653.5, 0.00314282/step, 1.44046 hours remaining, 241.011719 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: 3350000 3946.5466 20528.0221 14481.5822 226.9417 -203271.7988 2518.8128 0.0000 0.0000 52222.0873 -109347.8061 300.1211 -161569.8934 -108986.2501 299.5762 19.6517 46.4461 760386.2394 3.3883 2.9712 PRESSURE: 3350200 173.657 87.7861 121.34 87.7857 -63.0278 -6.19666 121.34 -6.19588 -85.4162 GPRESSURE: 3350200 316.116 161.173 30.3826 33.6217 -104.233 137.903 241.253 17.2745 -94.0355 PRESSAVG: 3350200 -7.00616 -1.64945 17.6977 -1.64945 15.8836 -28.1698 17.6977 -28.1698 7.72661 GPRESSAVG: 3350200 -5.63445 -3.83942 17.6487 -0.68792 15.2262 -27.5459 15.5579 -25.8326 6.86121 TIMING: 3350200 CPU: 10654.1, 0.00311986/step Wall: 10654.1, 0.00311986/step, 1.42976 hours remaining, 241.011719 MB of memory in use. ENERGY: 3350200 3960.4383 20562.4360 14500.8826 245.3363 -203371.7088 2712.3702 0.0000 0.0000 52145.6963 -109244.5490 299.6820 -161390.2453 -108883.0687 299.3296 8.4044 39.2825 760756.3055 5.5347 5.4843 PRESSURE: 3350400 -101.82 97.4063 0.513059 97.4064 6.56767 159.571 0.513732 159.572 -227.482 GPRESSURE: 3350400 -121.257 128.313 -60.5678 45.9073 5.66254 181.713 -59.5934 81.1506 -118.286 PRESSAVG: 3350400 -32.5498 37.8235 18.2935 37.8235 36.7345 66.8944 18.2936 66.8944 15.1345 GPRESSAVG: 3350400 -34.1269 39.4174 18.4196 37.1087 38.82 66.629 20.0674 66.2336 14.7298 TIMING: 3350400 CPU: 10654.7, 0.0031391/step Wall: 10654.7, 0.0031391/step, 1.4384 hours remaining, 241.011719 MB of memory in use. ENERGY: 3350400 3983.5919 20559.9294 14462.0589 258.5698 -202858.9836 2273.1193 0.0000 0.0000 52061.4791 -109260.2353 299.1980 -161321.7144 -108893.2291 299.5823 -107.5780 -77.9599 759971.9678 6.4397 6.4743 PRESSURE: 3350600 309.013 -296.64 0.127933 -296.64 -172.829 28.133 0.127143 28.1323 -177.527 GPRESSURE: 3350600 437.387 -334.666 30.9502 -229.319 -226.011 65.1223 82.1989 -189.795 -177.563 PRESSAVG: 3350600 41.5848 -65.6451 5.4549 -65.6451 1.14576 9.56848 5.4549 9.56847 7.16529 GPRESSAVG: 3350600 42.3359 -67.2149 5.17179 -64.6092 -1.14446 9.30487 6.10653 8.40485 8.11358 TIMING: 3350600 CPU: 10655.4, 0.00312983/step Wall: 10655.4, 0.00312983/step, 1.43398 hours remaining, 241.011719 MB of memory in use. ENERGY: 3350600 3966.4240 20570.4013 14486.5504 238.1506 -203055.0405 2485.1853 0.0000 0.0000 52121.5092 -109186.8196 299.5430 -161308.3289 -108818.2384 299.5188 -13.7812 11.2713 761224.0571 16.6320 16.4350 PRESSURE: 3350800 72.4448 195.803 -59.1388 195.804 -181.318 -258.776 -59.1391 -258.777 -275.842 GPRESSURE: 3350800 106.882 143.285 -61.1963 277.159 -152.273 -299.792 -9.58692 -284.655 -239.669 PRESSAVG: 3350800 -55.4392 14.6123 3.12227 14.6123 43.8074 -38.7488 3.12221 -38.7488 0.780401 GPRESSAVG: 3350800 -55.5432 15.3786 4.05421 13.8696 44.6134 -38.0655 2.7892 -40.201 0.301661 TIMING: 3350800 CPU: 10656, 0.00313428/step Wall: 10656, 0.00313428/step, 1.43585 hours remaining, 241.011719 MB of memory in use. ENERGY: 3350800 3990.3018 20502.6713 14537.9799 253.0267 -202829.0481 2273.8657 0.0000 0.0000 52092.6631 -109178.5395 299.3773 -161271.2026 -108816.9936 299.6360 -128.2384 -95.0201 762773.3838 -3.6171 -3.5427 PRESSURE: 3351000 -25.5015 147.452 -40.0771 147.452 439.317 73.5334 -40.0771 73.5335 -89.5517 GPRESSURE: 3351000 78.7211 159.272 -89.7503 153.758 361.806 154.632 34.8942 117.364 -38.69 PRESSAVG: 3351000 -17.1654 17.1242 -33.4171 17.1242 16.9148 23.5275 -33.4171 23.5275 -16.7121 GPRESSAVG: 3351000 -17.0981 15.7636 -34.6598 18.0294 17.1273 24.5546 -34.9095 24.9777 -17.3756 TIMING: 3351000 CPU: 10656.6, 0.00312988/step Wall: 10656.6, 0.00312988/step, 1.43366 hours remaining, 241.011719 MB of memory in use. ENERGY: 3351000 3972.1297 20557.0337 14482.7261 229.5070 -203539.2346 2855.8117 0.0000 0.0000 52205.8126 -109236.2139 300.0275 -161442.0265 -108874.4729 299.4507 108.0880 133.9455 760286.8297 -5.6542 -5.7821 PRESSURE: 3351200 -101.108 -50.9756 -92.8337 -50.9753 146.746 81.2128 -92.8331 81.2125 -207.156 GPRESSURE: 3351200 -33.7873 71.3987 -144.467 -83.468 157.622 7.20294 -51.8473 -19.2405 -210.487 PRESSAVG: 3351200 24.873 -18.5901 -5.16448 -18.5901 24.073 45.1077 -5.16447 45.1077 3.2036 GPRESSAVG: 3351200 24.9384 -17.1223 -4.68469 -19.1935 24.2733 43.5978 -4.0401 44.4542 3.15856 TIMING: 3351200 CPU: 10657.2, 0.00313852/step Wall: 10657.2, 0.00313852/step, 1.43744 hours remaining, 241.011719 MB of memory in use. ENERGY: 3351200 3961.5304 20618.9528 14448.3334 245.5893 -203253.1813 2524.5194 0.0000 0.0000 52180.7557 -109273.5003 299.8835 -161454.2560 -108911.0636 300.0229 -53.8393 -28.8842 760863.6570 17.3832 17.4568 PRESSURE: 3351400 -107.903 -258.752 -130.177 -258.752 -236.631 127.316 -130.178 127.316 -343.637 GPRESSURE: 3351400 -74.8288 -251.804 -126.94 -248.823 -205.307 208.326 -72.8522 98.7706 -311.577 PRESSAVG: 3351400 -82.2663 -40.3682 -12.8207 -40.3682 41.8425 23.9738 -12.8206 23.9738 -6.62723 GPRESSAVG: 3351400 -82.4776 -41.4701 -12.3722 -40.0669 41.7435 24.3593 -14.0442 24.7439 -6.05475 TIMING: 3351400 CPU: 10657.9, 0.00315251/step Wall: 10657.9, 0.00315251/step, 1.44368 hours remaining, 241.011719 MB of memory in use. ENERGY: 3351400 4008.3537 20402.9737 14587.2595 241.5545 -203087.1714 2367.4629 0.0000 0.0000 52291.1313 -109188.4358 300.5179 -161479.5671 -108817.5955 299.4093 -229.3906 -197.2378 761893.2095 -15.6837 -15.5963 PRESSURE: 3351600 182.684 -63.8191 -278.107 -63.8189 2.91052 -117.5 -278.107 -117.499 21.5957 GPRESSURE: 3351600 191.388 -5.69989 -217.834 -27.8711 48.0639 -166.14 -71.5412 -26.6993 44.4735 PRESSAVG: 3351600 22.1828 -24.7524 -14.498 -24.7524 19.7495 -0.758516 -14.498 -0.758494 -24.7901 GPRESSAVG: 3351600 20.8626 -24.0505 -14.8643 -26.2704 20.2739 -2.30198 -13.9931 -0.603108 -24.4271 TIMING: 3351600 CPU: 10658.5, 0.00310914/step Wall: 10658.5, 0.00310914/step, 1.42364 hours remaining, 241.011719 MB of memory in use. ENERGY: 3351600 4040.3891 20490.1343 14525.1976 235.1523 -203539.5158 2713.2654 0.0000 0.0000 52153.2113 -109382.1659 299.7252 -161535.3772 -109023.6413 299.5160 69.0632 94.6418 761135.2923 5.7141 5.5698 PRESSURE: 3351800 -320.087 -126.221 136.419 -126.222 -512.561 65.5203 136.419 65.5198 -97.4456 GPRESSURE: 3351800 -303.49 32.5618 101.588 -16.6759 -476.418 -1.40017 75.7483 0.588019 -64.7699 PRESSAVG: 3351800 -14.3408 -14.1698 -29.9131 -14.1697 -5.8497 14.1016 -29.9132 14.1015 -8.68996 GPRESSAVG: 3351800 -13.5943 -14.7019 -28.7014 -12.3621 -6.24843 13.1982 -30.7434 14.3102 -9.19993 TIMING: 3351800 CPU: 10659.1, 0.00314422/step Wall: 10659.1, 0.00314422/step, 1.43953 hours remaining, 241.011719 MB of memory in use. ENERGY: 3351800 4052.2225 20612.0178 14515.7760 251.1764 -203062.4016 2474.2601 0.0000 0.0000 52071.1957 -109085.7531 299.2539 -161156.9488 -108719.0427 299.4481 -310.0313 -281.5594 762050.0712 -9.6268 -9.6809 PRESSURE: 3352000 -119.052 -57.2723 245.452 -57.2721 -182.243 -103.359 245.451 -103.359 181.156 GPRESSURE: 3352000 -79.7811 -0.17533 249.719 -191.309 -180.038 -32.5986 265.865 -83.5872 235.294 PRESSAVG: 3352000 8.25486 -34.1566 5.46876 -34.1566 -24.9779 38.485 5.46871 38.485 6.99238 GPRESSAVG: 3352000 8.35269 -34.2691 3.23894 -34.5792 -24.7067 39.6879 6.07009 39.3809 6.53336 TIMING: 3352000 CPU: 10659.7, 0.00313014/step Wall: 10659.7, 0.00313014/step, 1.43291 hours remaining, 241.011719 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: 3352000 3962.9617 20602.3957 14513.6933 257.1560 -203180.0950 2550.0994 0.0000 0.0000 52392.7937 -108900.9953 301.1021 -161293.7890 -108539.7187 299.9315 -40.0466 -8.1752 761454.4506 -3.2436 -3.2735 PRESSURE: 3352200 120.523 -6.19688 -124.92 -6.19628 -129.437 482.177 -124.92 482.177 117.838 GPRESSURE: 3352200 59.0416 67.5057 -122.038 -99.7266 -103.411 383.271 -26.5312 323.188 225.527 PRESSAVG: 3352200 -2.1286 -48.1114 4.80514 -48.1114 -6.64958 -16.0632 4.80521 -16.0631 4.92402 GPRESSAVG: 3352200 -2.77375 -46.7955 5.25074 -49.7242 -6.51407 -17.2214 5.90332 -17.8393 5.78134 TIMING: 3352200 CPU: 10660.4, 0.00313736/step Wall: 10660.4, 0.00313736/step, 1.43604 hours remaining, 241.011719 MB of memory in use. ENERGY: 3352200 3949.3699 20527.6907 14568.8539 240.3366 -202853.8469 2453.7185 0.0000 0.0000 52072.4241 -109041.4533 299.2609 -161113.8774 -108670.7117 299.9351 36.3082 60.3858 760868.0585 -1.2847 -1.1688 LDB: ============= START OF LOAD BALANCING ============== 10672.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10672.8 LDB: =============== DONE WITH MIGRATION ================ 10672.8 LDB: ============= START OF LOAD BALANCING ============== 10673.1 LDB: Largest compute 7070 load 0.038175 is 19.5% of average load 0.195550 LDB: Average compute 0.004372 is 2.2% of average load 0.195550 LDB: TIME 10673.1 LOAD: AVG 0.19555 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 10673.1 LOAD: AVG 0.19555 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.172 MB LDB: TIME 10673.1 LOAD: AVG 0.19555 MAX 0.214412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.172 MB LDB: ============== END OF LOAD BALANCING =============== 10673.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10673.2 PRESSURE: 3352400 -3.78565 -248.647 -135.324 -248.647 -308.165 -39.8925 -135.324 -39.8926 -26.8617 GPRESSURE: 3352400 21.0511 -196.564 -80.4461 -204.316 -302.345 6.24845 -186.687 49.6736 15.0107 PRESSAVG: 3352400 7.3486 -8.53945 -1.21887 -8.53946 -40.7314 -21.5797 -1.21886 -21.5797 22.9983 GPRESSAVG: 3352400 7.10188 -9.62935 -0.0653817 -8.54032 -40.939 -21.7562 -2.22276 -22.4196 23.0263 TIMING: 3352400 CPU: 10661, 0.00321228/step Wall: 10661, 0.00321228/step, 1.47015 hours remaining, 241.972656 MB of memory in use. ENERGY: 3352400 3965.2910 20673.1891 14498.4950 241.7305 -202983.6392 2243.5081 0.0000 0.0000 52226.7160 -109134.7097 300.1477 -161361.4256 -108767.4367 299.9884 -112.9374 -88.7609 760258.1648 -3.4615 -3.6036 PRESSURE: 3352600 -31.279 130.109 193.743 130.109 19.1551 -42.8122 193.743 -42.8126 86.6042 GPRESSURE: 3352600 105.842 101.065 215.132 60.5754 52.0116 4.16922 117.038 87.6828 11.523 PRESSAVG: 3352600 -24.8463 -10.7243 -64.8692 -10.7242 38.5895 -10.272 -64.8692 -10.272 -9.50742 GPRESSAVG: 3352600 -23.4657 -8.9852 -63.9336 -10.3658 38.4352 -8.71384 -65.3906 -6.76571 -10.561 TIMING: 3352600 CPU: 10661.6, 0.00313727/step Wall: 10661.6, 0.00313727/step, 1.43565 hours remaining, 241.972656 MB of memory in use. ENERGY: 3352600 4018.6930 20391.7142 14603.2396 251.9740 -202934.7622 2500.6602 0.0000 0.0000 52030.6237 -109137.8573 299.0207 -161168.4811 -108767.2709 299.8080 24.8268 56.4587 760630.4642 1.4119 1.4695 PRESSURE: 3352800 -119.861 -47.3761 -252.637 -47.3768 -152.724 270.494 -252.637 270.494 -264.75 GPRESSURE: 3352800 -55.5483 -158.754 -153.083 -1.17396 -202.067 252.822 -151.688 141.242 -206.024 PRESSAVG: 3352800 12.2234 -15.2557 4.95973 -15.2557 -13.6036 -22.5402 4.95972 -22.5401 5.05512 GPRESSAVG: 3352800 10.7076 -17.1882 2.70281 -13.8 -13.5275 -25.8195 6.86675 -23.9406 6.07465 TIMING: 3352800 CPU: 10662.3, 0.00314346/step Wall: 10662.3, 0.00314346/step, 1.43831 hours remaining, 241.972656 MB of memory in use. ENERGY: 3352800 4016.9837 20692.5356 14456.6096 240.8595 -203069.4647 2497.1047 0.0000 0.0000 52223.5272 -108941.8443 300.1293 -161165.3715 -108572.4517 299.8898 -179.1116 -154.5466 762222.3165 1.2249 1.0849 PRESSURE: 3353000 -52.4859 -39.1923 -116.734 -39.1917 113.075 -87.2942 -116.734 -87.2949 -234.966 GPRESSURE: 3353000 20.398 -64.6279 -142.041 -77.1985 125.082 -213.058 -64.8013 -117.38 -253.043 PRESSAVG: 3353000 23.7441 -34.9508 -16.0692 -34.9508 -17.7924 -29.9277 -16.0692 -29.9278 -23.7528 GPRESSAVG: 3353000 24.0009 -33.5658 -16.4711 -36.1856 -17.311 -26.8771 -17.1859 -31.5353 -24.9481 TIMING: 3353000 CPU: 10662.9, 0.00312991/step Wall: 10662.9, 0.00312991/step, 1.43194 hours remaining, 241.972656 MB of memory in use. ENERGY: 3353000 3969.0695 20688.9238 14459.0117 255.5277 -203481.5911 2772.0672 0.0000 0.0000 52368.5997 -108968.3914 300.9631 -161336.9911 -108599.9822 300.1107 -58.1257 -35.8543 761500.1833 -5.9337 -6.0861 PRESSURE: 3353200 145.543 -245.576 -52.6529 -245.576 -104.535 -178.021 -52.6522 -178.02 154.329 GPRESSURE: 3353200 114.398 -277.256 -28.2621 -366.573 -10.7331 -178.091 -60.6471 -135.943 173.192 PRESSAVG: 3353200 -33.6872 -57.0641 -28.5659 -57.0641 15.0213 -36.7949 -28.5659 -36.7948 11.4136 GPRESSAVG: 3353200 -34.2972 -57.745 -27.6908 -56.7379 14.5379 -36.3563 -26.8525 -34.3974 12.8872 TIMING: 3353200 CPU: 10663.5, 0.00313443/step Wall: 10663.5, 0.00313443/step, 1.43383 hours remaining, 241.972656 MB of memory in use. ENERGY: 3353200 4046.2746 20565.7712 14520.3368 255.9538 -203525.6728 2734.3139 0.0000 0.0000 52311.5408 -109091.4818 300.6351 -161403.0225 -108718.9139 300.4899 65.1125 92.2853 759783.4757 -2.4174 -2.2907 PRESSURE: 3353400 55.8393 4.49788 29.8377 4.49703 -39.0015 278.517 29.8374 278.518 -127.054 GPRESSURE: 3353400 111.245 -15.1179 -25.6751 15.9088 -47.8131 259.052 -61.4142 185.446 -108.65 PRESSAVG: 3353400 -9.99422 -25.6194 7.78562 -25.6194 2.44904 -50.6138 7.7856 -50.6138 -15.4254 GPRESSAVG: 3353400 -8.80604 -25.7117 4.82565 -25.9928 3.0636 -52.5499 7.45467 -52.8784 -16.8204 TIMING: 3353400 CPU: 10664.2, 0.00312448/step Wall: 10664.2, 0.00312448/step, 1.4291 hours remaining, 241.972656 MB of memory in use. ENERGY: 3353400 4046.0118 20495.4061 14490.9990 241.8805 -203224.6208 2650.5898 0.0000 0.0000 52181.7109 -109118.0228 299.8890 -161299.7336 -108745.4275 300.6140 -36.7387 -15.0728 760148.9794 -7.6568 -7.5209 PRESSURE: 3353600 -270.199 -217.254 56.5281 -217.255 116.914 -95.8927 56.5284 -95.8912 -83.0546 GPRESSURE: 3353600 -165.077 -256.329 103.088 -174.501 99.8159 -75.7039 35.4326 72.8337 -77.5646 PRESSAVG: 3353600 -65.3957 -50.2805 9.98495 -50.2804 57.0261 -12.3334 9.98499 -12.3334 -4.59015 GPRESSAVG: 3353600 -65.5461 -51.1669 12.8592 -47.9404 56.6862 -10.836 7.66257 -10.9757 -4.00912 TIMING: 3353600 CPU: 10664.8, 0.00310938/step Wall: 10664.8, 0.00310938/step, 1.42203 hours remaining, 241.972656 MB of memory in use. ENERGY: 3353600 3995.6551 20499.6180 14396.2020 255.7429 -203095.8764 2337.3016 0.0000 0.0000 52122.4930 -109488.8638 299.5487 -161611.3568 -109124.1976 299.7480 -78.7796 -47.6086 761230.3496 -4.3199 -4.2897 PRESSURE: 3353800 -23.368 -47.2728 237.675 -47.2729 -168.377 157.71 237.675 157.709 -149.33 GPRESSURE: 3353800 -9.05772 -14.7129 260.007 62.4853 -60.7686 52.4113 244.882 83.9632 -175.397 PRESSAVG: 3353800 -80.6074 -59.2123 7.03493 -59.2122 90.0963 0.812125 7.03494 0.81212 17.3321 GPRESSAVG: 3353800 -80.3838 -58.5916 7.8335 -62.1993 90.354 0.46946 7.63859 -0.242303 17.2079 TIMING: 3353800 CPU: 10665.4, 0.00313852/step Wall: 10665.4, 0.00313852/step, 1.43517 hours remaining, 241.972656 MB of memory in use. ENERGY: 3353800 4065.1189 20578.7399 14461.7126 240.0916 -202914.2000 2350.2510 0.0000 0.0000 52094.6004 -109123.6856 299.3884 -161218.2860 -108762.1447 299.4375 -113.6919 -81.7410 759275.1332 8.9403 9.0594 PRESSURE: 3354000 -17.4957 -137.214 -80.5061 -137.213 -50.457 95.9223 -80.5058 95.921 -5.8965 GPRESSURE: 3354000 3.24518 -129.756 -98.6699 -160.588 18.2962 95.9897 -10.6622 -24.3084 -20.7807 PRESSAVG: 3354000 -20.8778 -30.082 13.2686 -30.082 42.1575 15.8682 13.2686 15.8682 7.08519 GPRESSAVG: 3354000 -20.5618 -30.2495 10.5397 -30.1201 41.9842 16.9194 14.5129 15.3596 6.7562 TIMING: 3354000 CPU: 10666, 0.00312717/step Wall: 10666, 0.00312717/step, 1.42981 hours remaining, 241.972656 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: 3354000 4093.6380 20593.7329 14413.0921 257.9670 -203274.5358 2573.9975 0.0000 0.0000 51968.0869 -109374.0213 298.6613 -161342.1082 -109017.8261 300.5871 -24.6164 0.2536 760993.7217 9.4550 9.3928 PRESSURE: 3354200 -8.7297 142.067 -2.58228 142.067 -290.442 -135.299 -2.58202 -135.298 -99.5833 GPRESSURE: 3354200 -64.3334 177.872 56.0919 67.4124 -185.738 -111.414 -32.7418 -87.2083 -54.3478 PRESSAVG: 3354200 -3.13199 2.73138 7.74613 2.73138 34.6369 51.6403 7.7461 51.6403 -11.5221 GPRESSAVG: 3354200 -2.72921 2.32384 9.95016 2.73631 35.722 51.8303 5.99278 53.5501 -12.3886 TIMING: 3354200 CPU: 10666.7, 0.00316101/step Wall: 10666.7, 0.00316101/step, 1.44511 hours remaining, 241.972656 MB of memory in use. ENERGY: 3354200 4026.3965 20515.7971 14392.5808 239.3135 -203401.6895 2384.1841 0.0000 0.0000 52037.5134 -109805.9042 299.0603 -161843.4176 -109438.9169 298.8997 -132.9183 -101.4732 760455.2393 6.6610 6.8681 PRESSURE: 3354400 -191.459 32.0755 170.923 32.0753 117.116 130.284 170.922 130.284 396.819 GPRESSURE: 3354400 -175.559 8.04829 138.419 97.5623 143.556 147.455 150 107.505 453.904 PRESSAVG: 3354400 -57.2998 -20.1283 -27.7447 -20.1284 48.5337 28.841 -27.7447 28.8411 -18.3853 GPRESSAVG: 3354400 -57.4618 -21.4095 -30.0103 -18.729 47.135 27.7319 -26.248 24.88 -16.8443 TIMING: 3354400 CPU: 10667.3, 0.00315906/step Wall: 10667.3, 0.00315906/step, 1.44404 hours remaining, 241.972656 MB of memory in use. ENERGY: 3354400 4068.0141 20421.3864 14435.0312 252.1460 -203660.8574 2994.7638 0.0000 0.0000 51929.5964 -109559.9194 298.4401 -161489.5158 -109204.5311 298.7794 107.4921 140.6336 760024.6120 -9.0505 -9.0571 PRESSURE: 3354600 200.336 72.6845 129.071 72.6845 218.735 -40.7781 129.071 -40.7783 341.564 GPRESSURE: 3354600 136.294 101.456 207.239 135.553 266.909 -44.778 74.2847 43.2496 461.777 PRESSAVG: 3354600 -62.9221 -52.4848 -8.49213 -52.4848 51.9413 -15.3374 -8.49213 -15.3375 -23.2522 GPRESSAVG: 3354600 -63.4402 -51.3535 -6.25997 -51.8651 52.739 -15.1134 -8.88099 -12.6775 -22.9616 TIMING: 3354600 CPU: 10667.9, 0.00316602/step Wall: 10667.9, 0.00316603/step, 1.44705 hours remaining, 241.972656 MB of memory in use. ENERGY: 3354600 4055.1284 20528.1834 14384.1670 259.5406 -203558.2724 2651.8455 0.0000 0.0000 52366.6149 -109312.7927 300.9517 -161679.4075 -108950.8960 299.2354 253.5451 288.3268 760496.5464 -11.4110 -11.2209 PRESSURE: 3354800 208.603 122.773 -45.9281 122.773 266.689 -123.645 -45.9282 -123.646 360.957 GPRESSURE: 3354800 295.177 127.879 -39.2042 -33.928 247.93 -176.133 -87.0655 -130.577 386.895 PRESSAVG: 3354800 -31.1159 24.6938 -14.6371 24.6938 87.9635 18.5401 -14.6372 18.54 26.2201 GPRESSAVG: 3354800 -31.1429 25.7628 -15.968 22.5622 87.9148 18.7305 -15.0483 17.3973 25.9604 TIMING: 3354800 CPU: 10668.6, 0.0031539/step Wall: 10668.6, 0.0031539/step, 1.44133 hours remaining, 241.972656 MB of memory in use. ENERGY: 3354800 4002.5741 20435.5142 14479.8590 251.7995 -203456.8667 2687.5209 0.0000 0.0000 52273.6986 -109325.9003 300.4177 -161599.5989 -108966.9094 299.6166 278.7496 310.0004 760333.9161 27.6892 27.5774 PRESSURE: 3355000 -239.867 104.075 109.217 104.075 -120.502 124.005 109.217 124.004 -115.001 GPRESSURE: 3355000 -195.917 24.7509 70.0997 69.7365 -139.552 49.7575 62.1967 85.3922 -63.3228 PRESSAVG: 3355000 47.8893 24.5676 -60.847 24.5676 17.3201 -0.722985 -60.8469 -0.723004 11.9178 GPRESSAVG: 3355000 47.975 24.6941 -60.5209 26.6826 18.0058 -1.13381 -61.5235 -0.540297 11.2952 TIMING: 3355000 CPU: 10669.2, 0.00314925/step Wall: 10669.2, 0.00314924/step, 1.43903 hours remaining, 241.972656 MB of memory in use. ENERGY: 3355000 4020.5050 20667.3975 14429.5868 239.0785 -203045.3787 2344.0674 0.0000 0.0000 51948.5993 -109396.1442 298.5493 -161344.7435 -109031.3127 299.9187 -158.4567 -132.9308 761547.5616 25.7091 25.7587 PRESSURE: 3355200 -143.461 241.776 -42.4243 241.775 -224.267 79.5198 -42.4235 79.5196 -239.778 GPRESSURE: 3355200 -81.5329 155.115 -79.7893 241.312 -243.199 -11.3994 -46.8271 75.1014 -191.661 PRESSAVG: 3355200 -50.0148 -11.0413 -19.7984 -11.0413 38.629 -19.0199 -19.7985 -19.0198 2.82593 GPRESSAVG: 3355200 -50.9484 -10.9253 -18.1457 -14.5603 38.225 -19.9142 -19.936 -19.3268 3.30542 TIMING: 3355200 CPU: 10669.8, 0.00317383/step Wall: 10669.8, 0.00317383/step, 1.45009 hours remaining, 241.972656 MB of memory in use. ENERGY: 3355200 4013.9160 20542.0631 14500.5816 267.1665 -203191.5724 2222.5423 0.0000 0.0000 51997.9842 -109647.3188 298.8331 -161645.3029 -109285.1056 299.4513 -202.5023 -172.1310 761903.6707 -2.8533 -3.1393 PRESSURE: 3355400 -17.5571 87.3619 -99.0574 87.362 11.9907 -39.2851 -99.0572 -39.2854 171.782 GPRESSURE: 3355400 48.0071 108.69 -161.402 147.48 106.601 -53.36 -164.416 -95.158 97.9035 PRESSAVG: 3355400 -31.8838 37.4885 -62.3084 37.4885 3.60643 -71.811 -62.3085 -71.811 -10.1985 GPRESSAVG: 3355400 -30.6937 36.0534 -63.8676 40.8152 3.25627 -71.5503 -61.4885 -71.9596 -10.8608 TIMING: 3355400 CPU: 10670.4, 0.00314544/step Wall: 10670.4, 0.00314544/step, 1.43694 hours remaining, 241.972656 MB of memory in use. ENERGY: 3355400 4034.7346 20543.4820 14431.7738 239.6502 -203437.8814 2731.4536 0.0000 0.0000 51818.7754 -109638.0117 297.8032 -161456.7871 -109281.3108 298.6693 55.4051 84.1705 760335.8896 -12.8253 -12.7661 PRESSURE: 3355600 -167.977 -129.464 -69.5155 -129.465 177.305 -219.67 -69.5154 -219.67 -137.442 GPRESSURE: 3355600 -108.581 -30.3806 -33.6285 -209.973 206.037 -175.379 -116.291 -338.072 -136.99 PRESSAVG: 3355600 -3.88812 30.9732 1.89875 30.9732 26.9299 28.8808 1.89873 28.8808 -2.54935 GPRESSAVG: 3355600 -3.19754 32.5787 3.63821 26.4794 26.7364 30.1133 0.416786 28.4456 -3.40872 TIMING: 3355600 CPU: 10671.1, 0.00315478/step Wall: 10671.1, 0.00315478/step, 1.44103 hours remaining, 241.972656 MB of memory in use. ENERGY: 3355600 4010.3516 20548.5609 14465.7106 235.2859 -203182.4281 2539.9021 0.0000 0.0000 51950.1154 -109432.5016 298.5580 -161382.6170 -109075.1918 299.3291 -42.7048 -13.1780 761956.8483 6.8308 6.7100 PRESSURE: 3355800 85.4003 -152.162 49.4384 -152.162 -144.682 -38.7113 49.4379 -38.7104 93.0908 GPRESSURE: 3355800 80.0468 -193.958 154.348 -192.296 -59.0792 9.39838 32.7707 -4.09183 102.27 PRESSAVG: 3355800 -24.3046 -23.9586 -11.6462 -23.9586 22.2319 -29.38 -11.6461 -29.3799 15.7113 GPRESSAVG: 3355800 -25.1342 -24.3063 -13.8017 -21.8557 22.5872 -30.1324 -9.45281 -28.2579 15.6718 TIMING: 3355800 CPU: 10671.7, 0.00315213/step Wall: 10671.7, 0.00315213/step, 1.43965 hours remaining, 241.972656 MB of memory in use. ENERGY: 3355800 4006.2793 20405.8836 14477.8966 258.2875 -203460.5079 2622.3468 0.0000 0.0000 52261.3881 -109428.4260 300.3469 -161689.8141 -109066.5743 299.6281 11.2697 41.0793 760710.1021 4.5462 4.3749 PRESSURE: 3356000 -236.534 38.546 34.967 38.5461 264.087 342.372 34.9664 342.371 -264.218 GPRESSURE: 3356000 -173.991 23.5934 40.247 -8.30509 237.727 380.717 -73.6994 351.613 -210.575 PRESSAVG: 3356000 21.1409 -14.6 3.50642 -14.6 -10.5536 25.8046 3.50646 25.8046 3.81708 GPRESSAVG: 3356000 21.8446 -16.3023 5.17671 -15.2793 -12.2756 27.2938 2.43235 26.04 4.66668 TIMING: 3356000 CPU: 10672.3, 0.00312646/step Wall: 10672.3, 0.00312646/step, 1.42775 hours remaining, 241.972656 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: 3356000 4050.0052 20470.7568 14392.6008 239.5778 -203515.6024 2990.7723 0.0000 0.0000 52099.5255 -109272.3640 299.4167 -161371.8895 -108908.6607 299.5878 -78.8884 -48.9462 763135.0444 4.8015 4.7452 PRESSURE: 3356200 357.576 125.66 50.2401 125.66 -46.9599 -6.29034 50.2405 -6.28941 119.383 GPRESSURE: 3356200 419.207 102.548 35.2788 134.776 -40.1078 7.52252 157.516 -121.029 156.372 PRESSAVG: 3356200 -5.12681 55.8365 -14.5937 55.8365 30.1265 35.2355 -14.5937 35.2355 13.48 GPRESSAVG: 3356200 -3.84243 57.5865 -13.8664 57.0684 29.5048 34.1651 -14.7195 33.8416 13.2393 TIMING: 3356200 CPU: 10673, 0.00315687/step Wall: 10673, 0.00315687/step, 1.44146 hours remaining, 241.972656 MB of memory in use. ENERGY: 3356200 4008.4140 20561.5508 14404.6521 260.1492 -203280.3460 2692.2219 0.0000 0.0000 52196.7640 -109156.5941 299.9755 -161353.3580 -108792.9153 299.9502 143.3330 178.4907 762904.9131 12.8266 12.9672 LDB: ============= START OF LOAD BALANCING ============== 10685.4 LDB: ============== END OF LOAD BALANCING =============== 10685.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10685.4 LDB: ============= START OF LOAD BALANCING ============== 10685.7 LDB: Largest compute 7070 load 0.034620 is 17.7% of average load 0.195422 LDB: Average compute 0.004372 is 2.2% of average load 0.195422 LDB: TIME 10685.7 LOAD: AVG 0.195422 MAX 0.214987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.227 MB LDB: TIME 10685.7 LOAD: AVG 0.195422 MAX 0.214987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: TIME 10685.7 LOAD: AVG 0.195422 MAX 0.214987 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.227 MB LDB: ============== END OF LOAD BALANCING =============== 10685.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10685.7 PRESSURE: 3356400 -225.473 -93.8866 169.138 -93.8868 -68.2719 19.5388 169.138 19.5386 155.19 GPRESSURE: 3356400 -152.385 -62.7866 129.341 -9.09064 -15.6014 -68.0146 225.076 71.5919 109.235 PRESSAVG: 3356400 -1.86046 -24.2281 -13.6411 -24.2281 -18.9895 0.662413 -13.641 0.662446 11.9579 GPRESSAVG: 3356400 -3.02634 -25.1809 -17.1805 -24.0741 -17.9992 0.458175 -11.7468 1.11081 12.3237 TIMING: 3356400 CPU: 10673.6, 0.00321161/step Wall: 10673.6, 0.00321161/step, 1.46628 hours remaining, 240.039062 MB of memory in use. ENERGY: 3356400 3968.8406 20686.4482 14419.9030 244.0148 -203394.0634 2681.1818 0.0000 0.0000 52181.0486 -109212.6264 299.8852 -161393.6750 -108851.1770 300.1354 -46.1850 -19.5836 762483.3252 -2.9640 -2.9006 PRESSURE: 3356600 -50.6883 6.87925 67.8353 6.87937 62.924 -111.147 67.8357 -111.148 115 GPRESSURE: 3356600 54.176 50.5101 40.596 6.72591 -6.09299 -125.246 90.8907 -129.202 149.913 PRESSAVG: 3356600 29.1645 -46.3442 -28.9886 -46.3442 -34.0951 42.3259 -28.9886 42.3259 10.409 GPRESSAVG: 3356600 29.3472 -45.4757 -27.9929 -45.7429 -34.0299 42.7626 -28.861 42.4398 10.0408 TIMING: 3356600 CPU: 10674.2, 0.00312649/step Wall: 10674.2, 0.00312649/step, 1.42724 hours remaining, 240.242188 MB of memory in use. ENERGY: 3356600 4044.2027 20562.3117 14421.3069 242.5978 -203192.3537 2572.5298 0.0000 0.0000 52215.4829 -109133.9220 300.0831 -161349.4048 -108769.4039 299.6850 42.4119 65.9985 760435.5686 1.8261 1.7860 PRESSURE: 3356800 -170.683 -92.4101 104.425 -92.4106 -263.427 -118.759 104.425 -118.759 -860.829 GPRESSURE: 3356800 -61.7848 -52.059 47.5313 -59.5231 -246.545 -146.711 110.596 -252.348 -875.342 PRESSAVG: 3356800 -38.3504 -60.6751 22.0795 -60.6751 14.2965 0.158393 22.0796 0.158431 18.6201 GPRESSAVG: 3356800 -38.5478 -60.5317 21.814 -62.3672 13.2379 -1.14758 21.2781 -0.60396 18.7885 TIMING: 3356800 CPU: 10674.9, 0.00315848/step Wall: 10674.9, 0.00315848/step, 1.44167 hours remaining, 240.242188 MB of memory in use. ENERGY: 3356800 4030.4558 20602.6550 14466.2165 233.2410 -202702.6019 2127.1468 0.0000 0.0000 51933.8417 -109309.0451 298.4645 -161242.8868 -108944.6088 299.7341 -431.6463 -394.5572 761855.7229 -1.8113 -2.1738 PRESSURE: 3357000 -44.0357 -105.427 158.167 -105.426 294.037 121.308 158.166 121.308 41.4189 GPRESSURE: 3357000 83.8255 -186.589 226.973 -153.496 305.488 42.9212 152.479 170.854 -3.00295 PRESSAVG: 3357000 -7.25407 -1.01667 -27.0033 -1.01671 -18.1513 -26.3585 -27.0033 -26.3585 -35.9635 GPRESSAVG: 3357000 -7.03484 -4.58936 -24.9488 0.0444058 -18.8465 -24.7312 -27.2889 -26.31 -35.2939 TIMING: 3357000 CPU: 10675.5, 0.00316822/step Wall: 10675.5, 0.00316822/step, 1.44594 hours remaining, 240.242188 MB of memory in use. ENERGY: 3357000 3983.0560 20581.6425 14403.4498 236.1757 -203090.8458 2411.3154 0.0000 0.0000 52097.2958 -109377.9106 299.4039 -161475.2064 -109018.0618 299.0434 97.1400 128.7703 760153.0789 -20.4563 -20.3918 PRESSURE: 3357200 -114.375 38.5032 109.09 38.5032 90.3636 257.151 109.09 257.152 -311.205 GPRESSURE: 3357200 -127.574 82.6013 52.8913 106.315 165.331 213.48 90.4727 39.1683 -295.067 PRESSAVG: 3357200 -12.5549 -5.75978 13.4087 -5.75974 83.8354 2.45283 13.4088 2.45288 12.1032 GPRESSAVG: 3357200 -14.3659 -4.86704 12.4875 -4.6851 86.2524 2.74764 11.585 1.55119 12.2005 TIMING: 3357200 CPU: 10676.1, 0.00313215/step Wall: 10676.1, 0.00313215/step, 1.42931 hours remaining, 240.242188 MB of memory in use. ENERGY: 3357200 4013.6851 20632.7235 14441.5301 261.0543 -202992.0224 2290.4587 0.0000 0.0000 52154.5396 -109198.0311 299.7329 -161352.5707 -108847.9601 299.8311 -111.7389 -85.7699 760271.8174 27.7946 28.0290 PRESSURE: 3357400 8.04649 -118.023 -2.35757 -118.024 278.872 -48.1847 -2.35697 -48.1855 -35.8966 GPRESSURE: 3357400 19.3611 -143.149 -26.1455 -63.6561 285.256 9.04931 -39.4775 -176.188 21.571 PRESSAVG: 3357400 -29.9188 -11.9808 25.5529 -11.9808 23.0686 1.17726 25.5529 1.17731 -10.393 GPRESSAVG: 3357400 -28.3754 -13.331 26.2024 -13.8858 21.7884 -0.927301 26.2964 3.05083 -11.0719 TIMING: 3357400 CPU: 10676.8, 0.00315544/step Wall: 10676.8, 0.00315544/step, 1.43976 hours remaining, 240.242188 MB of memory in use. ENERGY: 3357400 3920.3249 20575.7295 14514.2436 247.1295 -203180.5266 2390.2464 0.0000 0.0000 52467.4668 -109065.3858 301.5313 -161532.8526 -108699.9192 299.9470 83.6739 108.7292 760442.6241 -5.7477 -5.8863 PRESSURE: 3357600 -208.301 -145.34 122.06 -145.339 -247.761 -229.604 122.06 -229.603 -491.73 GPRESSURE: 3357600 -170.636 28.3116 163.969 -240.193 -226.249 -165.427 73.0662 -164.628 -460.017 PRESSAVG: 3357600 -47.6014 -3.64386 -2.52938 -3.64382 -22.7301 1.17908 -2.52938 1.17906 -15.2984 GPRESSAVG: 3357600 -46.742 -0.288878 -1.79592 -2.75448 -22.6105 3.45495 -0.332437 0.354939 -16.0309 TIMING: 3357600 CPU: 10677.4, 0.00314684/step Wall: 10677.4, 0.00314684/step, 1.43566 hours remaining, 240.242188 MB of memory in use. ENERGY: 3357600 4031.4899 20690.1745 14553.8889 266.6206 -203217.4444 2457.2877 0.0000 0.0000 52076.4982 -109141.4846 299.2844 -161217.9828 -108784.9687 300.0806 -315.9304 -285.6341 763580.0973 -28.5433 -28.4611 PRESSURE: 3357800 -135.626 -1.54298 -14.2287 -1.54323 -396.067 -53.3214 -14.2287 -53.3209 -75.0429 GPRESSURE: 3357800 -113.814 65.8064 -54.0725 -28.1545 -335.999 30.5155 -170.267 -78.666 -76.8668 PRESSAVG: 3357800 -10.7106 -30.523 -18.9026 -30.5231 21.2285 48.22 -18.9026 48.22 1.06664 GPRESSAVG: 3357800 -10.8955 -31.1633 -20.7434 -30.2945 21.5555 47.3639 -20.1943 49.6485 1.75567 TIMING: 3357800 CPU: 10678, 0.00314774/step Wall: 10678, 0.00314774/step, 1.43589 hours remaining, 240.242188 MB of memory in use. ENERGY: 3357800 4033.2799 20603.2823 14426.0711 243.0147 -203391.9015 2727.9046 0.0000 0.0000 52284.3493 -109073.9996 300.4789 -161358.3490 -108706.0017 300.1404 -202.2454 -175.5602 762086.8724 3.8615 4.1386 PRESSURE: 3358000 -374.803 -53.9017 191.459 -53.9016 -423.094 -105.963 191.458 -105.964 -187.625 GPRESSURE: 3358000 -315.742 -23.7951 66.2337 -117.032 -395.385 -138.277 314.521 41.4105 -191.768 PRESSAVG: 3358000 70.8773 -30.1862 -8.18655 -30.1861 -33.8501 28.5781 -8.18651 28.5781 -9.10837 GPRESSAVG: 3358000 69.8375 -28.9992 -6.68522 -30.2452 -32.8379 28.2922 -8.16318 28.6526 -9.05176 TIMING: 3358000 CPU: 10678.6, 0.00315979/step Wall: 10678.6, 0.00315979/step, 1.44122 hours remaining, 240.242188 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: 3358000 3960.9979 20679.2816 14460.6110 242.3119 -203201.9462 2357.2397 0.0000 0.0000 52223.8789 -109277.6253 300.1313 -161501.5042 -108911.6377 299.7012 -328.5072 -300.9650 761678.7873 9.3063 9.3159 PRESSURE: 3358200 318.84 9.32634 -283.526 9.32706 -301.141 -196.031 -283.526 -196.032 616.884 GPRESSURE: 3358200 388.387 32.3956 -260.4 49.1765 -327.318 -181.652 -225.059 -206.163 628.578 PRESSAVG: 3358200 74.2117 -54.2742 -16.0902 -54.2742 -94.9263 3.43403 -16.0902 3.43399 9.55969 GPRESSAVG: 3358200 73.4952 -55.5301 -16.4709 -55.3259 -96.2003 4.46911 -16.3691 2.56292 10.9357 TIMING: 3358200 CPU: 10679.3, 0.00317035/step Wall: 10679.3, 0.00317035/step, 1.44585 hours remaining, 240.242188 MB of memory in use. ENERGY: 3358200 3916.9195 20621.8246 14448.5926 251.0109 -203296.5455 2365.1834 0.0000 0.0000 52297.6281 -109395.3864 300.5552 -161693.0144 -109040.4432 299.6725 211.5277 229.8825 760725.1255 -3.7183 -3.9231 PRESSURE: 3358400 0.788316 154.484 -79.0995 154.484 11.8416 62.4792 -79.0998 62.4795 189.98 GPRESSURE: 3358400 68.7865 131.86 -42.1042 55.842 104.466 50.2895 33.7368 67.7887 146.727 PRESSAVG: 3358400 64.9089 37.8093 -61.114 37.8094 -46.0086 50.5047 -61.114 50.5048 21.9922 GPRESSAVG: 3358400 65.1317 36.632 -60.44 38.2041 -45.0906 48.7188 -60.8119 51.1791 20.9421 TIMING: 3358400 CPU: 10679.9, 0.00312544/step Wall: 10679.9, 0.00312544/step, 1.4252 hours remaining, 240.242188 MB of memory in use. ENERGY: 3358400 4005.3277 20388.4926 14446.6412 226.1953 -203610.8648 2920.8105 0.0000 0.0000 52204.8833 -109418.5143 300.0222 -161623.3976 -109057.0884 299.2639 67.5368 106.6599 761705.9955 13.6308 13.6611 PRESSURE: 3358600 -262.095 -148.817 -35.0378 -148.817 -136.309 -86.3658 -35.0388 -86.3668 200.831 GPRESSURE: 3358600 -294.434 -0.810633 -47.8289 -42.8916 -70.9434 -10.1158 -85.7781 -135.166 239.749 PRESSAVG: 3358600 21.4377 -56.4336 -41.0679 -56.4336 -27.9423 32.06 -41.068 32.06 -22.4571 GPRESSAVG: 3358600 21.9026 -53.4982 -42.126 -56.8684 -28.8485 34.5109 -41.474 32.5343 -22.3313 TIMING: 3358600 CPU: 10680.5, 0.00315992/step Wall: 10680.5, 0.00315992/step, 1.44075 hours remaining, 240.242188 MB of memory in use. ENERGY: 3358600 4008.0128 20447.8097 14476.5366 226.3933 -203001.3041 2372.6358 0.0000 0.0000 52227.9543 -109241.9617 300.1548 -161469.9159 -108870.7930 299.1155 -65.8578 -41.8762 761770.4048 -9.6539 -9.7591 PRESSURE: 3358800 -10.2731 3.92903 -90.7036 3.92897 -152.555 143.835 -90.7035 143.835 408.999 GPRESSURE: 3358800 -53.5626 76.3382 -61.0166 -77.8257 -30.7152 183.384 -168.65 69.9175 414.297 PRESSAVG: 3358800 5.96605 -39.9913 13.6985 -39.9913 -2.87033 30.6337 13.6984 30.6338 14.4212 GPRESSAVG: 3358800 5.00716 -40.7305 13.3461 -38.7912 -2.29266 30.5663 13.2097 29.4603 14.6885 TIMING: 3358800 CPU: 10681.2, 0.00317152/step Wall: 10681.2, 0.00317152/step, 1.44586 hours remaining, 240.242188 MB of memory in use. ENERGY: 3358800 3937.0767 20802.8621 14470.6045 234.5847 -202884.4807 2299.8144 0.0000 0.0000 52070.9541 -109068.5842 299.2525 -161139.5383 -108704.3832 299.9461 82.0572 110.0063 761614.1612 5.8390 5.8010 PRESSURE: 3359000 -145.316 -135.319 -6.18825 -135.319 -95.1323 34.7121 -6.18777 34.7128 -334.879 GPRESSURE: 3359000 -87.2593 -105.526 33.5664 0.474114 -92.8889 37.4944 -114.367 83.4629 -322.963 PRESSAVG: 3359000 27.3566 -75.8756 28.4166 -75.8758 -31.9666 10.1054 28.4166 10.1054 -11.704 GPRESSAVG: 3359000 29.4906 -76.4537 30.896 -75.3724 -32.9849 8.47813 27.8671 12.7161 -12.5986 TIMING: 3359000 CPU: 10681.8, 0.00314282/step Wall: 10681.8, 0.00314282/step, 1.4326 hours remaining, 240.242188 MB of memory in use. ENERGY: 3359000 4007.9015 20509.1065 14465.7543 245.4094 -202904.9984 2143.9864 0.0000 0.0000 52363.5211 -109169.3191 300.9339 -161532.8402 -108796.7524 299.9593 -191.7761 -167.7038 761648.3716 -5.4380 -5.3643 PRESSURE: 3359200 -70.6097 190.957 -179.377 190.958 -324.329 -26.5869 -179.377 -26.5871 219.116 GPRESSURE: 3359200 -63.7085 74.3584 -184.09 183.679 -290.686 -100.471 -78.7687 29.0626 277.93 PRESSAVG: 3359200 33.917 -0.713425 -42.0275 -0.713507 -3.96897 10.1359 -42.0274 10.1359 16.4578 GPRESSAVG: 3359200 32.4017 -0.411748 -44.2068 -1.98735 -2.67989 12.2937 -41.5298 9.2696 16.8368 TIMING: 3359200 CPU: 10682.4, 0.0031454/step Wall: 10682.4, 0.0031454/step, 1.43361 hours remaining, 240.242188 MB of memory in use. ENERGY: 3359200 3958.6875 20528.0229 14450.8280 235.8275 -203036.0355 2471.0612 0.0000 0.0000 52121.1447 -109270.4636 299.5409 -161391.6083 -108917.0306 299.4616 -58.6076 -25.4882 762641.8324 15.4686 15.5196 PRESSURE: 3359400 105.144 72.9628 -58.1115 72.9626 -108.737 117.777 -58.1119 117.777 -335.666 GPRESSURE: 3359400 165.317 -26.1772 18.6472 224.976 -174.412 56.5104 -79.4534 121.419 -243.464 PRESSAVG: 3359400 -17.8605 -49.2217 35.3508 -49.2217 15.9573 43.1145 35.3508 43.1145 -12.8065 GPRESSAVG: 3359400 -17.1824 -47.9621 35.1418 -49.7618 14.9581 44.1858 36.2758 41.056 -11.7939 TIMING: 3359400 CPU: 10683.1, 0.00316368/step Wall: 10683.1, 0.00316368/step, 1.44176 hours remaining, 240.242188 MB of memory in use. ENERGY: 3359400 3936.9763 20366.7926 14464.1489 237.6578 -203283.0499 2644.7973 0.0000 0.0000 52172.6676 -109460.0094 299.8370 -161632.6770 -109098.9276 298.9547 -113.0865 -84.1864 760784.6332 -4.9032 -4.6727 PRESSURE: 3359600 -148.087 9.92321 39.2588 9.92321 -377.209 2.19282 39.2586 2.19203 -479.517 GPRESSURE: 3359600 -163.719 -4.49931 -0.37141 -7.84125 -330.923 6.21288 62.1563 -21.1537 -421.182 PRESSAVG: 3359600 13.4837 -34.6881 48.2717 -34.6881 -28.0337 10.1362 48.2718 10.1362 11.2224 GPRESSAVG: 3359600 13.8577 -35.0849 50.6801 -33.4763 -27.1554 8.15806 45.0751 12.5146 9.71623 TIMING: 3359600 CPU: 10683.7, 0.00314307/step Wall: 10683.7, 0.00314307/step, 1.43219 hours remaining, 240.242188 MB of memory in use. ENERGY: 3359600 3953.7952 20465.1033 14568.4827 235.3644 -202921.2419 2264.6024 0.0000 0.0000 52117.8530 -109316.0409 299.5220 -161433.8939 -108957.6628 299.1156 -334.9376 -305.2745 763383.3152 -1.1092 -1.1938 PRESSURE: 3359800 149.404 -245.265 -255.946 -245.265 -70.7177 146.395 -255.945 146.396 99.8439 GPRESSURE: 3359800 156.106 0.416789 -242.917 -161.74 49.6856 143.691 -179.736 144.602 75.6417 PRESSAVG: 3359800 44.7748 -10.3174 22.033 -10.3174 -23.1471 91.4298 22.033 91.4298 3.00306 GPRESSAVG: 3359800 44.8338 -9.37187 20.4409 -10.3251 -23.1229 90.9361 25.1759 90.3564 3.03763 TIMING: 3359800 CPU: 10684.3, 0.00315103/step Wall: 10684.3, 0.00315103/step, 1.43565 hours remaining, 240.242188 MB of memory in use. ENERGY: 3359800 3964.2456 20380.7316 14533.1915 240.2417 -203454.6645 2845.9180 0.0000 0.0000 52373.2121 -109117.1240 300.9896 -161490.3361 -108754.9325 298.8877 59.5099 93.8112 760616.2045 8.2103 8.2495 PRESSURE: 3360000 221.803 -231.003 -114.761 -231.004 -47.6999 -31.8818 -114.761 -31.8821 297.031 GPRESSURE: 3360000 184.203 -321.353 -36.6606 -275.38 -63.2725 -219.245 -99.5394 -103.028 402.342 PRESSAVG: 3360000 -2.99465 -60.5325 -37.5774 -60.5325 -20.5727 11.8245 -37.5774 11.8245 -4.91136 GPRESSAVG: 3360000 -4.44259 -62.8041 -37.8227 -61.3175 -20.8839 10.7276 -37.2525 12.3667 -4.34437 TIMING: 3360000 CPU: 10684.9, 0.00314197/step Wall: 10684.9, 0.00314197/step, 1.43134 hours remaining, 240.242188 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: 3360000 3974.5812 20539.6633 14439.5142 268.1478 -203162.6508 2717.8456 0.0000 0.0000 51891.9257 -109330.9730 298.2236 -161222.8987 -108977.9807 299.9226 157.0446 174.4242 761182.3974 -9.4929 -9.8903 PRESSURE: 3360200 -101.908 -18.6571 143.719 -18.6578 199.767 -34.1401 143.719 -34.1423 466.85 GPRESSURE: 3360200 4.14545 -129.814 136.43 -50.1512 251.797 23.6921 106.095 -80.615 375.072 PRESSAVG: 3360200 20.3301 -13.0253 -35.1701 -13.0253 -38.021 13.8344 -35.1701 13.8344 14.9446 GPRESSAVG: 3360200 21.0278 -12.3458 -34.7046 -15.2299 -37.8615 14.9416 -37.8937 12.7129 14.7875 TIMING: 3360200 CPU: 10685.6, 0.00314693/step Wall: 10685.6, 0.00314693/step, 1.43343 hours remaining, 240.242188 MB of memory in use. ENERGY: 3360200 4008.9117 20697.2447 14417.6866 256.6521 -203676.9101 2879.6807 0.0000 0.0000 52135.7452 -109280.9891 299.6248 -161416.7343 -108931.7013 299.1529 188.2362 210.3380 760826.8006 -0.9154 -0.6821 LDB: ============= START OF LOAD BALANCING ============== 10698 LDB: ============== END OF LOAD BALANCING =============== 10698 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10698 LDB: ============= START OF LOAD BALANCING ============== 10698.3 LDB: Largest compute 7070 load 0.035718 is 18.3% of average load 0.195403 LDB: Average compute 0.004380 is 2.2% of average load 0.195403 LDB: TIME 10698.3 LOAD: AVG 0.195403 MAX 0.216773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10698.3 LOAD: AVG 0.195403 MAX 0.216773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 10698.3 LOAD: AVG 0.195403 MAX 0.216773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 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: 3360400 80.1481 7.5585 238.635 7.55856 -69.7358 39.9355 238.636 39.9359 -205.534 GPRESSURE: 3360400 120.497 7.38328 245.161 172.247 -39.0187 67.2237 290.819 99.3507 -182.38 PRESSAVG: 3360400 65.7948 -1.36769 15.8959 -1.36767 -35.2318 25.5094 15.8959 25.5094 -4.89306 GPRESSAVG: 3360400 64.9068 -1.76781 15.2213 0.94213 -35.4901 26.0241 15.6381 27.201 -3.5095 TIMING: 3360400 CPU: 10686.2, 0.00319868/step Wall: 10686.2, 0.00319868/step, 1.45682 hours remaining, 241.062500 MB of memory in use. ENERGY: 3360400 3940.4910 20507.8653 14477.2708 231.3027 -202598.7991 2032.1633 0.0000 0.0000 52205.0921 -109204.6139 300.0234 -161409.7060 -108841.8998 299.8104 -65.0407 -33.6339 760842.8556 8.5566 8.6357 PRESSURE: 3360600 -198.042 -125.421 -234.008 -125.421 124.287 45.5577 -234.008 45.5578 290.446 GPRESSURE: 3360600 -133.904 98.9115 -280.76 -24.4861 153.933 14.2698 -191.399 81.4624 289.416 PRESSAVG: 3360600 16.6198 12.4597 -39.9456 12.4597 6.84206 8.66876 -39.9456 8.66874 1.82454 GPRESSAVG: 3360600 16.9942 13.685 -40.4696 12.5255 6.67919 6.99131 -37.6386 9.34331 1.54883 TIMING: 3360600 CPU: 10686.9, 0.00315837/step Wall: 10686.9, 0.00315837/step, 1.43829 hours remaining, 241.062500 MB of memory in use. ENERGY: 3360600 4005.4667 20665.1327 14427.0909 266.5696 -203349.1106 2601.0367 0.0000 0.0000 52097.0748 -109286.7392 299.4026 -161383.8139 -108931.9408 300.0070 72.2304 103.1484 759997.3395 8.4288 8.4074 PRESSURE: 3360800 60.9472 -36.0237 84.6943 -36.0234 64.0044 -125.843 84.6941 -125.844 30.8402 GPRESSURE: 3360800 51.964 -95.3105 31.4493 -5.3036 126.979 -102.477 68.3155 -17.5956 64.1422 PRESSAVG: 3360800 9.82982 14.2492 -33.4905 14.2491 -14.9969 36.3551 -33.4905 36.3551 -11.267 GPRESSAVG: 3360800 10.3837 13.9716 -32.7995 13.562 -14.1838 38.6434 -33.4322 32.4693 -12.7009 TIMING: 3360800 CPU: 10687.5, 0.00313483/step Wall: 10687.5, 0.00313483/step, 1.42739 hours remaining, 241.062500 MB of memory in use. ENERGY: 3360800 4029.9199 20516.4045 14442.8527 245.9241 -203161.6714 2459.5838 0.0000 0.0000 52327.4530 -109139.5334 300.7266 -161466.9864 -108779.8761 300.1842 51.9306 81.0284 763295.5769 -5.4780 -5.5003 PRESSURE: 3361000 77.9801 -66.0059 284.767 -66.0057 76.2333 -69.3826 284.767 -69.3805 205.822 GPRESSURE: 3361000 23.7673 -60.3558 319.447 -47.6982 176.114 -129.428 152.583 -49.4764 243.744 PRESSAVG: 3361000 43.8173 22.7693 7.52935 22.7693 -15.4006 -25.6007 7.52937 -25.6006 -7.92862 GPRESSAVG: 3361000 43.8864 23.3852 7.39257 22.9836 -16.4951 -25.0617 5.81254 -23.2467 -7.08856 TIMING: 3361000 CPU: 10688.1, 0.0031506/step Wall: 10688.1, 0.0031506/step, 1.4344 hours remaining, 241.062500 MB of memory in use. ENERGY: 3361000 4042.4187 20553.3802 14454.0240 246.6678 -203114.7146 2464.1693 0.0000 0.0000 52327.5095 -109026.5451 300.7269 -161354.0546 -108676.1951 300.5262 120.0118 147.8752 762821.2581 6.8293 6.7676 PRESSURE: 3361200 -89.2027 -103.217 -108.432 -103.217 182.844 -128.73 -108.433 -128.731 236.481 GPRESSURE: 3361200 -58.8899 -123.163 -93.8744 -149.372 239.354 -63.7467 -19.1045 -150.182 252.364 PRESSAVG: 3361200 -10.875 0.866002 -6.77834 0.865998 -51.1561 31.3461 -6.77835 31.3461 -5.35996 GPRESSAVG: 3361200 -11.8247 0.134342 -7.10876 0.628195 -49.9626 30.2343 -7.2184 29.5611 -5.25135 TIMING: 3361200 CPU: 10688.7, 0.00316456/step Wall: 10688.7, 0.00316456/step, 1.44058 hours remaining, 241.062500 MB of memory in use. ENERGY: 3361200 3954.4174 20624.0050 14462.2819 222.4183 -203208.3084 2682.9802 0.0000 0.0000 52204.7502 -109057.4554 300.0214 -161262.2055 -108702.7155 300.1251 110.0408 144.2761 762440.1949 -22.4637 -22.3462 PRESSURE: 3361400 -99.037 -46.522 -169.68 -46.5217 -36.0419 83.9934 -169.679 83.993 -154.911 GPRESSURE: 3361400 -58.4575 -20.6812 -149.178 -45.9303 -1.68118 117.039 51.6028 53.2402 -146.584 PRESSAVG: 3361400 9.42878 18.5231 29.2221 18.5231 -11.7322 -11.4216 29.2222 -11.4217 -8.11222 GPRESSAVG: 3361400 9.2916 17.774 28.6725 19.4189 -11.6575 -10.6007 31.8448 -12.1554 -8.67832 TIMING: 3361400 CPU: 10689.4, 0.00318025/step Wall: 10689.4, 0.00318025/step, 1.44755 hours remaining, 241.062500 MB of memory in use. ENERGY: 3361400 4053.0976 20489.5929 14425.7300 249.6374 -203166.2533 2621.3049 0.0000 0.0000 52239.4806 -109087.4100 300.2210 -161326.8906 -108727.8597 299.9679 -96.6634 -68.9075 762127.4259 -3.4719 -3.6814 PRESSURE: 3361600 -193.682 -135.307 81.8674 -135.308 65.3254 -372.111 81.8677 -372.111 -188.513 GPRESSURE: 3361600 -65.4988 -108.066 76.3156 -87.4807 50.1591 -389.303 -16.8317 -341.786 -197.357 PRESSAVG: 3361600 9.62378 -37.0711 19.0149 -37.071 21.4622 0.551675 19.0149 0.551708 13.245 GPRESSAVG: 3361600 11.8599 -36.1469 21.2972 -37.4785 19.1777 2.22511 17.1849 1.0381 13.5085 TIMING: 3361600 CPU: 10690, 0.00315782/step Wall: 10690, 0.00315782/step, 1.43716 hours remaining, 241.062500 MB of memory in use. ENERGY: 3361600 3997.9436 20586.5749 14442.3850 244.7064 -203010.3812 2367.5668 0.0000 0.0000 52140.5665 -109230.6380 299.6526 -161371.2045 -108869.7670 299.9877 -105.6230 -70.8989 761945.4535 14.7770 14.8487 PRESSURE: 3361800 -207.353 -55.1615 -83.3388 -55.1612 -354.126 31.163 -83.3388 31.1634 -74.0586 GPRESSURE: 3361800 -298.928 -57.1838 -104.859 26.8328 -227.374 86.3941 53.4003 3.11066 -2.47517 PRESSAVG: 3361800 -2.0058 36.7244 5.72073 36.7243 -11.38 -28.5035 5.7207 -28.5036 -17.8322 GPRESSAVG: 3361800 -2.87416 36.5261 2.5636 36.009 -9.96795 -29.5096 5.45768 -27.4268 -18.1889 TIMING: 3361800 CPU: 10690.6, 0.00315741/step Wall: 10690.6, 0.00315741/step, 1.4368 hours remaining, 241.062500 MB of memory in use. ENERGY: 3361800 3951.3921 20392.8112 14361.9773 238.5349 -202625.9459 2235.5092 0.0000 0.0000 52108.8218 -109336.8994 299.4701 -161445.7212 -108958.3821 300.0249 -211.8457 -176.2591 761884.6319 -10.4060 -10.3437 PRESSURE: 3362000 -170.734 24.7411 27.1539 24.7413 156.498 -345.164 27.154 -345.164 -325.865 GPRESSURE: 3362000 -80.7247 -6.53858 60.0294 -30.912 107.676 -359.953 -19.5394 -235.745 -267.095 PRESSAVG: 3362000 20.8013 -63.3414 -11.48 -63.3414 -44.3861 -58.6026 -11.48 -58.6026 -24.4034 GPRESSAVG: 3362000 21.7145 -61.6194 -10.1666 -63.0967 -45.5739 -57.8661 -12.2426 -58.3154 -23.8418 TIMING: 3362000 CPU: 10691.3, 0.00313621/step Wall: 10691.3, 0.00313621/step, 1.42697 hours remaining, 241.062500 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: 3362000 3985.7785 20438.8033 14527.7353 252.0641 -203315.8563 2449.5523 0.0000 0.0000 52304.3330 -109357.5897 300.5937 -161661.9227 -108995.6451 299.4831 -113.3670 -80.0480 760253.3405 -15.9961 -15.9004 PRESSURE: 3362200 -7.04611 157.681 -96.6829 157.68 52.0993 -10.3389 -96.6832 -10.339 -26.2948 GPRESSURE: 3362200 58.4917 168.295 -70.5957 173.219 143.978 31.0424 68.8863 -86.6969 -97.3034 PRESSAVG: 3362200 25.9688 13.8057 -19.1125 13.8057 -37.4677 -25.4271 -19.1125 -25.427 10.1162 GPRESSAVG: 3362200 25.085 11.4752 -20.0517 13.486 -36.088 -26.7082 -18.8253 -25.2745 9.61324 TIMING: 3362200 CPU: 10691.9, 0.0031436/step Wall: 10691.9, 0.0031436/step, 1.43017 hours remaining, 241.062500 MB of memory in use. ENERGY: 3362200 3974.6361 20459.2913 14458.5797 239.5986 -202533.1384 2080.6189 0.0000 0.0000 51915.9355 -109404.4782 298.3616 -161320.4138 -109041.1238 299.5042 6.2528 35.0554 760016.7295 -0.4609 -0.4633 PRESSURE: 3362400 -371.642 -269.623 -36.508 -269.623 -178.33 -67.8178 -36.5078 -67.8172 177.098 GPRESSURE: 3362400 -297.518 -236.192 33.6939 -297.787 -125.585 -49.3654 -88.1382 -69.7121 151.996 PRESSAVG: 3362400 3.5907 -25.6529 -26.7717 -25.6528 29.384 40.3449 -26.7717 40.3448 15.1215 GPRESSAVG: 3362400 3.77635 -26.1076 -25.8001 -24.3751 29.9566 38.4891 -27.5489 42.0225 14.8352 TIMING: 3362400 CPU: 10692.5, 0.0031374/step Wall: 10692.5, 0.0031374/step, 1.42717 hours remaining, 241.062500 MB of memory in use. ENERGY: 3362400 3962.9289 20545.1181 14409.5593 252.9665 -203389.2297 2493.0106 0.0000 0.0000 52354.1817 -109371.4647 300.8802 -161725.6463 -109002.6805 299.7837 -124.2916 -90.3691 761466.8367 16.0321 16.1894 PRESSURE: 3362600 -28.4503 -0.833834 -61.1813 -0.833066 235.188 -3.25943 -61.1823 -3.25897 311.53 GPRESSURE: 3362600 -5.0649 17.5699 -103.894 85.0233 265.994 4.2899 -146.92 -69.6285 353.318 PRESSAVG: 3362600 0.0131236 -14.8457 -28.6739 -14.8457 -0.75944 -7.59658 -28.6739 -7.59661 4.75842 GPRESSAVG: 3362600 -0.362617 -12.4365 -29.0272 -16.8537 -1.60516 -4.8043 -28.5441 -9.36008 5.97933 TIMING: 3362600 CPU: 10693.1, 0.00312036/step Wall: 10693.1, 0.00312036/step, 1.41924 hours remaining, 241.062500 MB of memory in use. ENERGY: 3362600 3923.1838 20420.5094 14500.4052 241.9604 -203490.1408 2662.1192 0.0000 0.0000 52184.3761 -109557.5867 299.9043 -161741.9628 -109198.1451 299.3869 172.7559 204.7493 761605.3101 1.3374 1.3372 PRESSURE: 3362800 244.202 214.107 281.662 214.107 242.687 173.328 281.661 173.328 -428.882 GPRESSURE: 3362800 283.628 -37.9101 235.825 174.841 298.045 256.683 239.467 97.4566 -434.442 PRESSAVG: 3362800 40.887 -5.53365 -16.6959 -5.53367 -56.5637 47.1911 -16.6959 47.1912 0.660819 GPRESSAVG: 3362800 41.7064 -7.94628 -17.4007 -3.03734 -55.9124 46.2962 -17.6251 45.9756 -0.133239 TIMING: 3362800 CPU: 10693.8, 0.00313047/step Wall: 10693.8, 0.00313047/step, 1.42367 hours remaining, 241.062500 MB of memory in use. ENERGY: 3362800 3960.5201 20480.3733 14426.8279 254.1436 -203200.5500 2363.7701 0.0000 0.0000 52289.4271 -109425.4880 300.5081 -161714.9151 -109061.8600 299.6181 19.3356 49.0767 760163.5305 -5.0053 -4.7797 PRESSURE: 3363000 -63.4829 97.4147 -86.0025 97.4146 -348.84 -100.684 -86.0027 -100.684 81.3536 GPRESSURE: 3363000 -57.0185 71.0382 -110.14 -43.1218 -252.94 -30.6246 -45.0142 -86.6378 51.9122 PRESSAVG: 3363000 38.7773 34.3173 -2.6338 34.3173 -54.562 -46.8954 -2.63383 -46.8954 7.38362 GPRESSAVG: 3363000 38.7149 36.1491 -0.382331 30.1978 -54.7252 -45.993 -1.69695 -45.694 7.08298 TIMING: 3363000 CPU: 10694.4, 0.00313149/step Wall: 10694.4, 0.00313149/step, 1.42396 hours remaining, 241.062500 MB of memory in use. ENERGY: 3363000 3937.1975 20465.2799 14463.6592 253.4768 -203034.6952 2281.8591 0.0000 0.0000 51933.8558 -109699.3670 298.4646 -161633.2228 -109333.6008 299.4601 -110.3231 -86.0155 760711.1611 -2.8004 -2.9758 PRESSURE: 3363200 -200.839 -5.556 265.256 -5.55526 -64.0805 89.6822 265.256 89.6823 -24.1163 GPRESSURE: 3363200 -126.852 51.2152 278.673 11.4604 -25.8299 116.35 187.787 -12.5794 -33.2744 PRESSAVG: 3363200 39.8083 -8.47441 6.06923 -8.47443 -52.891 12.7879 6.06929 12.788 19.624 GPRESSAVG: 3363200 39.1177 -11.8619 4.62593 -5.03911 -52.7149 11.7754 5.88472 11.2197 20.3733 TIMING: 3363200 CPU: 10695, 0.00312801/step Wall: 10695, 0.00312801/step, 1.4222 hours remaining, 241.062500 MB of memory in use. ENERGY: 3363200 3956.4486 20432.4607 14439.2871 238.5961 -202635.1161 1986.3626 0.0000 0.0000 51877.9112 -109704.0497 298.1431 -161581.9609 -109335.1627 298.0535 -96.3452 -61.9853 760158.6601 2.1804 2.2587 PRESSURE: 3363400 -317.922 173.568 -253.593 173.568 -7.5091 293.266 -253.593 293.266 22.5409 GPRESSURE: 3363400 -282.744 230.489 -240.996 154.405 16.4526 296.002 -125.199 330.477 52.8776 PRESSAVG: 3363400 9.81012 4.74646 16.8921 4.7465 5.09579 -42.8717 16.8921 -42.8717 -5.85314 GPRESSAVG: 3363400 11.662 8.58849 16.2358 1.93628 4.52743 -41.3933 16.8092 -41.08 -6.8843 TIMING: 3363400 CPU: 10695.7, 0.00314067/step Wall: 10695.7, 0.00314067/step, 1.42778 hours remaining, 241.062500 MB of memory in use. ENERGY: 3363400 4025.8521 20484.0505 14412.8036 250.7624 -203317.4092 2566.4587 0.0000 0.0000 51897.9641 -109679.5177 298.2583 -161577.4819 -109326.2822 298.6889 -100.9635 -71.1380 759883.7195 3.0176 3.1017 PRESSURE: 3363600 -63.3686 65.2568 -36.0057 65.2566 -444.985 64.5036 -36.0058 64.5027 204.331 GPRESSURE: 3363600 -60.0473 54.0551 -42.1344 114.672 -363.512 75.6595 -57.7192 58.0619 200.039 PRESSAVG: 3363600 22.8183 -56.365 -3.80014 -56.365 -11.5324 -14.6249 -3.80011 -14.6248 -16.6634 GPRESSAVG: 3363600 21.5266 -59.2702 -3.34628 -52.8251 -12.6082 -14.2782 -3.31199 -17.1239 -15.0331 TIMING: 3363600 CPU: 10696.3, 0.00311735/step Wall: 10696.3, 0.00311735/step, 1.41701 hours remaining, 241.062500 MB of memory in use. ENERGY: 3363600 3984.9645 20652.6940 14429.4550 223.2870 -203035.8192 2202.3502 0.0000 0.0000 51974.2357 -109568.8330 298.6966 -161543.0686 -109214.1747 298.9794 -101.3410 -74.5067 760316.8784 -1.7925 -2.0382 PRESSURE: 3363800 -80.338 26.3508 143.161 26.3516 -180.569 -116.553 143.161 -116.551 156.254 GPRESSURE: 3363800 11.1304 -106.536 65.1323 -67.7529 -131.382 -61.1357 240.647 -91.6328 96.4076 PRESSAVG: 3363800 -14.5377 30.2373 -58.4351 30.2374 8.83614 -87.5611 -58.4351 -87.5612 -12.1593 GPRESSAVG: 3363800 -14.1608 30.9353 -59.0228 27.9033 10.216 -88.5894 -58.9588 -85.5205 -14.0212 TIMING: 3363800 CPU: 10696.9, 0.00311108/step Wall: 10696.9, 0.00311108/step, 1.41399 hours remaining, 241.062500 MB of memory in use. ENERGY: 3363800 4007.1891 20507.5766 14379.0438 244.4623 -202744.9595 2170.8666 0.0000 0.0000 52010.1969 -109425.6242 298.9033 -161435.8212 -109070.2851 298.9531 -34.8843 -7.9479 762180.2547 -5.9536 -5.9887 PRESSURE: 3364000 -297.855 -37.732 -237.883 -37.7324 -443.546 -209.938 -237.882 -209.939 -290.911 GPRESSURE: 3364000 -292.667 -47.424 -262.345 62.8227 -306.57 -208.456 -234.6 -141.8 -312.483 PRESSAVG: 3364000 46.2655 -27.8575 -59.9488 -27.8575 -42.203 -34.9424 -59.9487 -34.9423 -2.25312 GPRESSAVG: 3364000 45.9194 -29.1958 -60.124 -26.3427 -42.574 -36.4747 -59.6034 -32.7048 -1.20056 TIMING: 3364000 CPU: 10697.5, 0.00311706/step Wall: 10697.5, 0.00311706/step, 1.41653 hours remaining, 241.062500 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: 3364000 3924.1098 20659.2140 14488.4431 248.7702 -202974.7976 2412.4338 0.0000 0.0000 52218.0611 -109023.7657 300.0979 -161241.8267 -108665.7212 300.0105 -344.1038 -303.9065 761767.6361 0.6031 0.7149 PRESSURE: 3364200 -13.2308 -95.586 -32.7968 -95.5861 245.862 28.7726 -32.7965 28.7722 -31.057 GPRESSURE: 3364200 107.505 -77.33 -13.5764 -281.262 235.478 93.1441 23.7993 26.3326 -54.7355 PRESSAVG: 3364200 14.27 -2.86679 1.22866 -2.86678 -7.0592 -24.1137 1.22865 -24.1136 -0.681043 GPRESSAVG: 3364200 14.204 0.237564 1.27416 -3.67543 -6.18825 -23.7538 0.578537 -25.2993 -1.81576 TIMING: 3364200 CPU: 10698.1, 0.00313194/step Wall: 10698.1, 0.00313194/step, 1.42312 hours remaining, 241.062500 MB of memory in use. ENERGY: 3364200 3984.5319 20559.5151 14349.5416 249.4248 -203005.9927 2589.5566 0.0000 0.0000 52470.5535 -108802.8693 301.5490 -161273.4229 -108430.9991 300.6958 67.1913 96.0825 763730.9180 2.1766 2.0667 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 7070 load 0.034715 is 17.8% of average load 0.195497 LDB: Average compute 0.004376 is 2.2% of average load 0.195497 LDB: TIME 10710.9 LOAD: AVG 0.195497 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10710.9 LOAD: AVG 0.195497 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 MB LDB: TIME 10710.9 LOAD: AVG 0.195497 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.879 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: 3364400 358.725 -251.218 139.219 -251.218 -347.5 105.148 139.218 105.148 -63.8226 GPRESSURE: 3364400 361.506 -285.421 230.861 -100.026 -210.982 61.0922 80.1649 36.5395 -124.347 PRESSAVG: 3364400 -30.5547 -13.6101 -50.7532 -13.61 20.7233 -19.8638 -50.7532 -19.8637 -3.66834 GPRESSAVG: 3364400 -30.5043 -15.9865 -47.6074 -13.2441 20.2607 -18.6025 -49.4591 -19.8579 -3.24255 TIMING: 3364400 CPU: 10698.8, 0.00320763/step Wall: 10698.8, 0.00320763/step, 1.45733 hours remaining, 240.808594 MB of memory in use. ENERGY: 3364400 4008.0200 20554.2410 14381.5791 238.5229 -203293.8167 2694.4080 0.0000 0.0000 52580.9673 -108836.0784 302.1835 -161417.0457 -108465.8651 301.0501 -17.5324 8.7259 760664.5917 -4.4999 -4.4954 PRESSURE: 3364600 194.22 292.042 -68.5712 292.042 -49.3503 -30.8251 -68.5711 -30.8259 -273.715 GPRESSURE: 3364600 169.673 231.495 -120.093 177.399 21.0974 -27.7878 -186.402 -26.5558 -231.53 PRESSAVG: 3364600 -36.9881 -13.431 55.3827 -13.4311 19.9758 -35.5159 55.3828 -35.5159 5.18662 GPRESSAVG: 3364600 -36.8666 -11.186 53.4804 -14.9277 20.0159 -35.2163 54.3357 -35.8693 5.32337 TIMING: 3364600 CPU: 10699.4, 0.00312902/step Wall: 10699.4, 0.00312902/step, 1.42144 hours remaining, 240.808594 MB of memory in use. ENERGY: 3364600 4059.3891 20604.5801 14390.9222 240.7413 -203267.8415 2583.6549 0.0000 0.0000 52296.7653 -109091.7885 300.5502 -161388.5539 -108734.0503 300.3917 -42.9485 -13.5866 760975.9960 -3.9419 -3.8424 PRESSURE: 3364800 -70.0115 59.3621 -71.1642 59.3612 -49.3243 -11.0339 -71.1645 -11.0341 35.4743 GPRESSURE: 3364800 -54.8592 180.781 -49.5422 -10.4552 43.0524 -80.0804 -19.8805 33.3806 -1.29436 PRESSAVG: 3364800 -28.5594 -20.8309 -12.6753 -20.831 28.3876 13.7262 -12.6753 13.7262 -14.9193 GPRESSAVG: 3364800 -27.4945 -22.3855 -13.6469 -19.6619 28.4381 12.4292 -12.5846 12.707 -15.8647 TIMING: 3364800 CPU: 10700, 0.00316612/step Wall: 10700, 0.00316612/step, 1.43812 hours remaining, 240.808594 MB of memory in use. ENERGY: 3364800 4033.2262 20509.5956 14383.1171 245.3922 -203036.9320 2316.7559 0.0000 0.0000 52210.3020 -109338.5430 300.0533 -161548.8451 -108985.3226 300.3085 -27.9539 -4.3671 759918.2863 -5.0304 -4.9737 PRESSURE: 3365000 -173.388 -203.643 -109.854 -203.643 39.7492 140.399 -109.854 140.399 275.625 GPRESSURE: 3365000 -112.723 -227.374 -159.519 -35.4061 25.7008 109.782 -58.7616 99.9671 300.4 PRESSAVG: 3365000 -18.3327 -48.9348 -2.06715 -48.9348 -11.5359 -26.553 -2.06711 -26.553 -5.23289 GPRESSAVG: 3365000 -18.7103 -50.3863 -1.57614 -47.9114 -11.545 -26.1663 -1.43947 -24.0965 -5.02473 TIMING: 3365000 CPU: 10700.7, 0.00315824/step Wall: 10700.7, 0.00315824/step, 1.43437 hours remaining, 240.808594 MB of memory in use. ENERGY: 3365000 3966.2595 20583.0289 14380.5206 244.3197 -203206.9832 2394.8589 0.0000 0.0000 52189.9951 -109448.0005 299.9366 -161637.9956 -109085.0834 299.7500 47.3286 71.1260 760287.2747 -11.7005 -11.7600 PRESSURE: 3365200 -120.193 -206.893 -90.3028 -206.892 -270.102 48.651 -90.3024 48.6515 -165.379 GPRESSURE: 3365200 -37.6952 -250.107 -6.31372 -234.684 -148.934 -38.1204 -66.361 105.231 -272.272 PRESSAVG: 3365200 -43.3474 -29.7856 -12.9451 -29.7856 78.3498 21.6065 -12.9451 21.6065 21.6221 GPRESSAVG: 3365200 -42.6181 -30.6341 -11.1805 -30.5505 77.8829 20.0598 -14.0715 20.2685 21.3492 TIMING: 3365200 CPU: 10701.3, 0.00315191/step Wall: 10701.3, 0.00315191/step, 1.43132 hours remaining, 240.808594 MB of memory in use. ENERGY: 3365200 4006.3710 20553.0947 14402.6437 236.6375 -202967.7392 2362.7087 0.0000 0.0000 52055.3868 -109350.8968 299.1630 -161406.2836 -108987.1986 299.6335 -185.2247 -152.9670 762241.6950 18.8748 18.8713 PRESSURE: 3365400 -534.128 -22.702 112.733 -22.702 -2.03681 -250.834 112.732 -250.834 320.891 GPRESSURE: 3365400 -464.456 53.8029 57.3759 47.5202 21.5199 -247.357 17.3789 -113.213 316.327 PRESSAVG: 3365400 -49.0943 -40.6064 1.0977 -40.6064 36.5797 7.48104 1.09773 7.4809 -33.1123 GPRESSAVG: 3365400 -49.943 -39.7866 0.346737 -39.8191 37.492 8.89691 0.539399 7.48102 -32.9036 TIMING: 3365400 CPU: 10701.9, 0.00314189/step Wall: 10701.9, 0.00314189/step, 1.42659 hours remaining, 240.808594 MB of memory in use. ENERGY: 3365400 3912.0570 20540.3039 14427.3372 254.7320 -202961.8026 2402.1863 0.0000 0.0000 52059.2423 -109365.9439 299.1852 -161425.1862 -109003.3845 300.2075 -71.7581 -42.2032 761610.2940 -15.2090 -15.1182 PRESSURE: 3365600 2.95485 -203.222 70.5976 -203.221 247.006 49.2344 70.5982 49.2341 18.3907 GPRESSURE: 3365600 12.2614 -249.89 20.8696 -183.319 283.592 54.1864 123.615 54.1784 77.081 PRESSAVG: 3365600 31.81 -25.4792 34.1635 -25.4792 -5.63485 -6.9737 34.1636 -6.97376 9.48047 GPRESSAVG: 3365600 32.5893 -25.4321 33.7206 -25.1268 -6.72307 -6.58566 35.7805 -7.94572 10.4332 TIMING: 3365600 CPU: 10702.6, 0.00315175/step Wall: 10702.6, 0.00315175/step, 1.43089 hours remaining, 240.808594 MB of memory in use. ENERGY: 3365600 3935.8211 20566.7490 14370.3598 243.3139 -203166.2832 2375.2104 0.0000 0.0000 52149.3857 -109525.4433 299.7032 -161674.8290 -109167.1669 298.8949 89.4504 124.3115 761405.4282 11.8852 12.0998 PRESSURE: 3365800 -12.378 -5.76599 -1.36172 -5.76569 211.5 -124.255 -1.36181 -124.254 -62.4018 GPRESSURE: 3365800 145.731 24.9912 3.41963 21.3969 246.563 -64.0582 44.9219 -78.4407 -157.495 PRESSAVG: 3365800 -55.2267 -51.8249 13.6643 -51.8249 5.82343 -103.273 13.6643 -103.273 -21.7458 GPRESSAVG: 3365800 -55.6071 -51.1527 16.4669 -51.0612 6.62249 -103.171 12.9663 -101.531 -22.2158 TIMING: 3365800 CPU: 10703.2, 0.00313149/step Wall: 10703.2, 0.00313149/step, 1.42152 hours remaining, 240.808594 MB of memory in use. ENERGY: 3365800 3924.4639 20478.4653 14461.2880 241.9427 -203154.8244 2349.5208 0.0000 0.0000 52000.5930 -109698.5507 298.8481 -161699.1438 -109333.3421 299.0173 45.5735 78.2664 760003.3814 -23.7163 -23.7335 PRESSURE: 3366000 -185.642 -90.8191 179.989 -90.8195 -120.035 8.12793 179.988 8.12866 -342.404 GPRESSURE: 3366000 -186.706 -17.0297 116.74 -107.719 -102.542 31.0301 88.5961 -12.2037 -265.816 PRESSAVG: 3366000 -42.3631 -3.55116 -12.9092 -3.55113 70.1704 3.39304 -12.9092 3.39301 -17.1001 GPRESSAVG: 3366000 -42.0863 -3.42825 -14.104 -5.22728 69.6171 4.18237 -13.7981 2.58579 -16.6079 TIMING: 3366000 CPU: 10703.8, 0.00314403/step Wall: 10703.8, 0.00314403/step, 1.42704 hours remaining, 240.808594 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: 3366000 3899.9164 20442.0789 14407.1386 232.1329 -202917.2700 2119.2221 0.0000 0.0000 52008.0712 -109808.7101 298.8911 -161816.7812 -109442.1501 298.4974 -216.0269 -185.0212 761037.8190 3.5691 3.6410 PRESSURE: 3366200 -40.5383 65.0204 -143.28 65.0207 138.846 1.76781 -143.28 1.76796 113.498 GPRESSURE: 3366200 13.7495 0.901957 -205.402 96.7331 274.37 43.3411 -150.103 2.31011 31.3309 PRESSAVG: 3366200 5.04287 -20.6017 -7.73764 -20.6017 6.36233 27.0906 -7.73766 27.0907 7.38526 GPRESSAVG: 3366200 4.43747 -20.3697 -7.94229 -21.8576 7.15094 27.4694 -9.28669 24.7833 6.96736 TIMING: 3366200 CPU: 10704.5, 0.0031346/step Wall: 10704.5, 0.0031346/step, 1.42258 hours remaining, 240.808594 MB of memory in use. ENERGY: 3366200 3988.1791 20615.5766 14409.2651 227.4292 -203340.6691 2555.8605 0.0000 0.0000 51851.3528 -109693.0058 297.9904 -161544.3586 -109334.5131 298.7709 70.6021 106.4834 760100.2884 6.2635 6.1853 PRESSURE: 3366400 -185.761 -49.6644 -138.998 -49.664 118.702 28.1233 -138.999 28.1242 206.943 GPRESSURE: 3366400 -127.527 -45.3989 -175.507 -48.0209 108.003 45.8882 -18.8077 19.2254 251.391 PRESSAVG: 3366400 -17.0243 3.61646 -32.2822 3.61642 47.5619 13.4792 -32.2823 13.4793 1.70804 GPRESSAVG: 3366400 -16.3212 4.20394 -33.4619 4.91928 47.2754 10.1649 -29.4315 16.5243 1.16824 TIMING: 3366400 CPU: 10705.1, 0.00314003/step Wall: 10705.1, 0.00314003/step, 1.42488 hours remaining, 240.808594 MB of memory in use. ENERGY: 3366400 3942.3083 20613.5583 14459.4688 244.6136 -203372.0302 2539.0153 0.0000 0.0000 52042.1265 -109530.9394 299.0868 -161573.0659 -109167.8904 298.7631 46.6281 77.2889 760312.9650 10.7485 10.7075 PRESSURE: 3366600 232.214 -107.815 -26.8204 -107.815 42.6747 27.8272 -26.8203 27.8269 -84.1875 GPRESSURE: 3366600 140.421 -171.469 85.1505 -70.1688 131.547 59.8308 -111.12 -93.4336 8.60534 PRESSAVG: 3366600 -8.3744 -6.30144 -14.1094 -6.30149 4.91467 -14.0689 -14.1095 -14.0689 11.5931 GPRESSAVG: 3366600 -7.71348 -7.88897 -13.6697 -5.51769 4.47478 -13.8575 -15.6415 -14.749 11.3989 TIMING: 3366600 CPU: 10705.7, 0.00314758/step Wall: 10705.7, 0.00314758/step, 1.42813 hours remaining, 240.808594 MB of memory in use. ENERGY: 3366600 3948.4858 20639.9950 14482.1735 234.8216 -203406.8030 2450.5727 0.0000 0.0000 51972.7992 -109677.9552 298.6884 -161650.7544 -109310.5537 298.8398 63.5669 93.5245 759412.9676 2.7111 2.7201 PRESSURE: 3366800 -201.251 -18.3231 -17.5711 -18.3233 -224.781 -125.871 -17.5715 -125.872 -238.442 GPRESSURE: 3366800 -204.394 1.13023 -16.7233 -100.056 -189.131 -26.0472 -17.957 -200.888 -188.068 PRESSAVG: 3366800 51.7839 -21.7776 -23.3001 -21.7775 -25.6849 -29.7143 -23.3 -29.7144 7.6878 GPRESSAVG: 3366800 51.2086 -19.3115 -20.5854 -23.4199 -25.6295 -25.9663 -23.8756 -29.9669 8.47147 TIMING: 3366800 CPU: 10706.3, 0.00313295/step Wall: 10706.3, 0.00313295/step, 1.42131 hours remaining, 240.808594 MB of memory in use. ENERGY: 3366800 3994.7010 20599.5042 14426.2025 231.8515 -203460.0665 2504.7908 0.0000 0.0000 52102.0799 -109600.9366 299.4314 -161703.0165 -109230.0339 298.7180 -221.4915 -193.8644 761351.6319 11.2623 11.3502 PRESSURE: 3367000 187.436 81.0995 -357.065 81.0992 290.659 -69.2967 -357.064 -69.297 312.103 GPRESSURE: 3367000 362.899 50.9526 -352.114 64.0485 237.557 -69.4925 -228.51 -86.1027 273.42 PRESSAVG: 3367000 -7.26952 -8.15757 -57.4913 -8.15755 -7.62062 -17.446 -57.4913 -17.446 -10.3259 GPRESSAVG: 3367000 -7.25712 -11.7683 -58.0753 -5.54366 -7.30687 -20.0574 -55.6394 -17.2998 -10.4252 TIMING: 3367000 CPU: 10707, 0.00314169/step Wall: 10707, 0.00314169/step, 1.4251 hours remaining, 240.808594 MB of memory in use. ENERGY: 3367000 3979.2624 20446.9933 14486.3969 247.5909 -203489.1324 2651.7143 0.0000 0.0000 51934.7119 -109742.4627 298.4695 -161677.1745 -109372.7309 298.7370 263.3993 291.2921 760314.8500 -8.4054 -8.3297 PRESSURE: 3367200 94.0329 25.5389 -9.40064 25.5398 -98.3434 -63.5752 -9.40109 -63.5757 -521 GPRESSURE: 3367200 83.5047 122.406 -17.8485 30.6085 -36.9089 -6.04995 83.6056 -24.2954 -473.464 PRESSAVG: 3367200 69.4706 19.0685 -1.97966 19.0685 -55.9713 -30.3212 -1.97962 -30.3211 5.76988 GPRESSAVG: 3367200 70.0028 20.7253 -2.55567 16.8108 -56.989 -29.2641 -2.67365 -29.8958 6.03466 TIMING: 3367200 CPU: 10707.6, 0.00315375/step Wall: 10707.6, 0.00315375/step, 1.4304 hours remaining, 240.808594 MB of memory in use. ENERGY: 3367200 3925.7745 20473.3178 14414.0325 243.6864 -203610.4576 2565.4933 0.0000 0.0000 52393.2708 -109594.8823 301.1048 -161988.1532 -109227.3438 299.3182 -175.1036 -142.2893 758757.6273 6.4231 6.3495 PRESSURE: 3367400 341.414 -60.3798 -218.326 -60.3797 246.363 130.601 -218.327 130.602 124.804 GPRESSURE: 3367400 283.286 29.8364 -97.4884 -71.7845 319.81 73.58 -179.425 126.596 187.908 PRESSAVG: 3367400 65.3016 -73.5491 17.6818 -73.5492 0.0252576 18.0762 17.6818 18.0762 0.000810235 GPRESSAVG: 3367400 64.8103 -75.9799 19.4168 -72.6535 1.05976 16.7498 15.2853 17.5823 -0.0878367 TIMING: 3367400 CPU: 10708.2, 0.0031171/step Wall: 10708.2, 0.0031171/step, 1.4136 hours remaining, 240.808594 MB of memory in use. ENERGY: 3367400 3944.2880 20637.7612 14439.9448 246.2210 -203613.3775 2581.6815 0.0000 0.0000 52024.0358 -109739.4451 298.9828 -161763.4809 -109373.8760 299.2987 237.5270 263.6682 758430.8138 21.7759 21.9274 PRESSURE: 3367600 -204.071 43.6156 23.754 43.6165 -118.522 74.5357 23.754 74.5351 -39.348 GPRESSURE: 3367600 -147.888 -2.09959 48.5801 -15.7023 -158.057 136.995 -133.427 -37.896 30.7577 PRESSAVG: 3367600 21.1329 12.3957 13.8884 12.3957 -41.0902 -64.4759 13.8884 -64.4758 -18.1234 GPRESSAVG: 3367600 21.324 14.3706 12.1855 10.6689 -40.6386 -62.9607 16.4967 -64.9596 -18.8597 TIMING: 3367600 CPU: 10708.8, 0.00312554/step Wall: 10708.8, 0.00312554/step, 1.41726 hours remaining, 240.808594 MB of memory in use. ENERGY: 3367600 4078.1779 20547.2904 14415.0823 245.6028 -203732.1620 2731.2533 0.0000 0.0000 52017.3863 -109697.3690 298.9446 -161714.7553 -109329.7980 299.3687 -120.6471 -91.7292 759200.0937 -12.6935 -12.7248 PRESSURE: 3367800 -254.834 83.3287 52.5962 83.3279 -414.084 -327.278 52.5954 -327.278 73.7327 GPRESSURE: 3367800 -157.915 83.3177 146.213 -20.004 -354.371 -289.505 90.3202 -213.525 -6.11104 PRESSAVG: 3367800 -14.9672 37.5741 0.553799 37.5741 -50.4952 -63.9441 0.553816 -63.944 11.0165 GPRESSAVG: 3367800 -14.1498 35.1985 0.760914 38.8627 -49.9095 -63.0785 -0.906719 -63.368 9.84392 TIMING: 3367800 CPU: 10709.5, 0.0031107/step Wall: 10709.5, 0.0031107/step, 1.41036 hours remaining, 240.808594 MB of memory in use. ENERGY: 3367800 4004.5917 20444.0912 14420.5129 250.5411 -203564.4076 2368.9461 0.0000 0.0000 52270.9684 -109804.7560 300.4020 -162075.7245 -109436.1374 299.5531 -198.3950 -172.7991 759511.6812 -18.1486 -18.0718 PRESSURE: 3368000 -83.4969 39.2175 3.14864 39.2171 -60.2208 -101.529 3.14772 -101.529 -332.321 GPRESSURE: 3368000 -78.7695 146.975 42.3379 9.1367 -26.109 -134.943 -76.6562 -90.0509 -280.9 PRESSAVG: 3368000 20.1482 -19.0138 12.5791 -19.0138 -19.4329 -9.91314 12.5791 -9.91318 13.3947 GPRESSAVG: 3368000 19.6167 -17.4075 14.1997 -19.6143 -20.2308 -11.8196 12.987 -9.69523 14.7572 TIMING: 3368000 CPU: 10710.1, 0.00313082/step Wall: 10710.1, 0.00313082/step, 1.41931 hours remaining, 240.808594 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: 3368000 3983.4377 20555.6926 14403.2852 252.2866 -203541.5204 2454.3310 0.0000 0.0000 52061.4256 -109831.0617 299.1977 -161892.4873 -109467.0968 299.2172 -158.6795 -128.5928 759347.5794 4.7033 4.7143 PRESSURE: 3368200 135.195 -281.428 -286.205 -281.428 40.9284 -26.6771 -286.204 -26.6767 -79.1997 GPRESSURE: 3368200 234.572 -164.696 -296.279 -276.701 81.5552 -120.238 -251.703 -5.71673 -135.016 PRESSAVG: 3368200 -19.6226 -53.2786 -5.49561 -53.2786 -19.8894 -26.3616 -5.49562 -26.3616 -7.71516 GPRESSAVG: 3368200 -18.5941 -52.8027 -8.77306 -55.5522 -21.1614 -27.8698 -6.39445 -23.8785 -7.29271 TIMING: 3368200 CPU: 10710.7, 0.00310826/step Wall: 10710.7, 0.00310826/step, 1.4089 hours remaining, 240.808594 MB of memory in use. ENERGY: 3368200 4031.9647 20539.4341 14434.1217 246.2853 -204152.2926 2733.7296 0.0000 0.0000 52244.9413 -109921.8158 300.2524 -162166.7571 -109547.8877 298.8252 32.3079 60.3707 759944.6052 -15.7424 -15.6827 LDB: ============= START OF LOAD BALANCING ============== 10723.2 LDB: ============== END OF LOAD BALANCING =============== 10723.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10723.2 LDB: ============= START OF LOAD BALANCING ============== 10723.5 LDB: Largest compute 7070 load 0.037375 is 19.1% of average load 0.195449 LDB: Average compute 0.004390 is 2.2% of average load 0.195449 LDB: TIME 10723.5 LOAD: AVG 0.195449 MAX 0.216868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 10723.5 LOAD: AVG 0.195449 MAX 0.216868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 10723.5 LOAD: AVG 0.195449 MAX 0.216868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 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: 3368400 -122.931 -120.028 -254.653 -120.028 -237.927 14.1544 -254.653 14.1559 -265.707 GPRESSURE: 3368400 -114.055 -95.7963 -205.906 -143.113 -234.466 -41.67 -235.157 -46.757 -200.35 PRESSAVG: 3368400 -6.03971 8.59235 -0.61955 8.59233 15.6286 -25.4869 -0.619511 -25.4869 -0.833749 GPRESSAVG: 3368400 -6.86935 9.08851 1.18572 11.7441 17.2083 -24.2071 0.733962 -27.2699 -1.56779 TIMING: 3368400 CPU: 10711.4, 0.00319255/step Wall: 10711.4, 0.00319255/step, 1.44694 hours remaining, 241.378906 MB of memory in use. ENERGY: 3368400 3994.8938 20540.5614 14426.3198 254.4147 -203283.2715 2612.0856 0.0000 0.0000 51526.5332 -109928.4630 296.1237 -161454.9963 -109568.2424 298.4837 -208.8552 -182.9567 760496.7126 2.9184 2.9237 PRESSURE: 3368600 470.587 -379.543 -188.957 -379.544 245.516 28.1779 -188.957 28.1781 -223.998 GPRESSURE: 3368600 480.509 -288.229 -206.028 -344.06 380.482 102.29 -111.371 -16.627 -285.742 PRESSAVG: 3368600 20.6343 -16.8617 -30.5318 -16.8617 -12.5531 29.5299 -30.5318 29.5299 -2.04785 GPRESSAVG: 3368600 20.8347 -17.9755 -29.9139 -19.6001 -11.9453 30.8238 -30.3516 27.5226 -3.01633 TIMING: 3368600 CPU: 10712, 0.00312881/step Wall: 10712, 0.00312882/step, 1.41787 hours remaining, 241.378906 MB of memory in use. ENERGY: 3368600 3932.5720 20244.7327 14447.7524 248.7476 -203533.2111 2717.1293 0.0000 0.0000 52167.9093 -109774.3678 299.8097 -161942.2771 -109405.7309 298.7038 164.0351 191.7496 758461.0434 2.0111 1.9577 PRESSURE: 3368800 177.458 312.048 157.898 312.049 178.233 59.2408 157.898 59.2414 243.305 GPRESSURE: 3368800 203.511 278.25 208.316 420.877 196.031 -36.581 202.678 198.116 284.505 PRESSAVG: 3368800 25.6827 -39.6435 -13.2208 -39.6435 19.8683 -17.27 -13.2209 -17.27 -5.70175 GPRESSAVG: 3368800 24.3351 -38.4316 -12.9624 -39.2052 19.7251 -18.5156 -13.4045 -15.9647 -4.25973 TIMING: 3368800 CPU: 10712.6, 0.00312867/step Wall: 10712.6, 0.00312866/step, 1.41763 hours remaining, 241.378906 MB of memory in use. ENERGY: 3368800 4042.2966 20520.1141 14455.8597 252.3127 -203418.8201 2581.2811 0.0000 0.0000 51770.9987 -109795.9571 297.5286 -161566.9558 -109441.8526 298.6490 199.6651 228.0157 760087.9024 13.2831 13.2668 PRESSURE: 3369000 -282.727 215.748 137.527 215.747 -0.337618 -219.063 137.527 -219.062 -35.9576 GPRESSURE: 3369000 -200.878 2.90503 52.2966 144.628 -0.969309 -217.1 70.0228 -72.3514 -20.9245 PRESSAVG: 3369000 -33.8063 -16.8823 73.4055 -16.8823 -2.18343 -75.682 73.4056 -75.6819 -1.74944 GPRESSAVG: 3369000 -32.675 -18.5227 69.9355 -18.132 -2.72528 -75.9503 74.4848 -74.3558 -3.16413 TIMING: 3369000 CPU: 10713.2, 0.00313989/step Wall: 10713.2, 0.00313989/step, 1.42254 hours remaining, 241.378906 MB of memory in use. ENERGY: 3369000 4065.0070 20343.2411 14447.6560 252.4318 -203643.3296 2612.9852 0.0000 0.0000 52279.5957 -109642.4128 300.4516 -161922.0086 -109280.5623 299.4472 -106.3406 -74.2574 760001.6524 -12.5797 -12.8548 PRESSURE: 3369200 15.1697 33.0776 22.0559 33.0776 -13.9238 -64.3625 22.0555 -64.3632 -43.3564 GPRESSURE: 3369200 92.6409 81.2435 54.3848 -30.5091 24.3341 1.89702 -10.1897 36.2785 -77.8849 PRESSAVG: 3369200 -20.8946 8.17171 27.4022 8.17164 62.8059 -21.5716 27.4022 -21.5717 8.18233 GPRESSAVG: 3369200 -22.8405 8.847 29.4196 10.239 62.8113 -20.8337 27.6296 -19.9746 10.3813 TIMING: 3369200 CPU: 10713.9, 0.00313043/step Wall: 10713.9, 0.00313043/step, 1.41809 hours remaining, 241.378906 MB of memory in use. ENERGY: 3369200 3970.4573 20448.0102 14469.4208 261.7035 -203351.5709 2544.3772 0.0000 0.0000 52071.5846 -109586.0173 299.2561 -161657.6019 -109226.2636 298.8272 -14.0368 13.0300 760642.5918 16.6979 16.7840 PRESSURE: 3369400 -315.66 -57.5698 -135.504 -57.5684 -298.925 132.03 -135.503 132.03 -188.535 GPRESSURE: 3369400 -198.748 -83.8575 -60.4296 -89.2306 -308.265 61.8874 -169.488 99.3432 -222.3 PRESSAVG: 3369400 -25.5604 24.273 63.7874 24.273 13.7829 -27.2051 63.7874 -27.2051 -1.50605 GPRESSAVG: 3369400 -24.0476 21.574 63.3062 24.0348 13.6418 -29.1159 61.9802 -29.5526 -3.38933 TIMING: 3369400 CPU: 10714.5, 0.00311996/step Wall: 10714.5, 0.00311996/step, 1.41317 hours remaining, 241.378906 MB of memory in use. ENERGY: 3369400 3934.6329 20521.8726 14461.8103 267.2583 -203470.0502 2562.0221 0.0000 0.0000 52241.7504 -109480.7035 300.2341 -161722.4539 -109121.6535 298.8509 -267.7065 -243.1043 762567.0655 -4.4278 -4.5984 PRESSURE: 3369600 -151.008 -89.5055 -64.6754 -89.505 253.566 -108.072 -64.6758 -108.072 183.068 GPRESSURE: 3369600 -35.8324 -44.7939 -65.6765 -2.6222 234.157 -54.0943 84.3336 -230.493 167.339 PRESSAVG: 3369600 34.4624 1.42888 3.73629 1.4289 -23.4216 -55.7067 3.73631 -55.7067 -2.44538 GPRESSAVG: 3369600 33.564 4.80993 3.66174 -1.48354 -22.5858 -54.3256 3.6606 -56.2366 -2.42792 TIMING: 3369600 CPU: 10715.1, 0.00311694/step Wall: 10715.1, 0.00311694/step, 1.41163 hours remaining, 241.378906 MB of memory in use. ENERGY: 3369600 3931.4012 20503.7402 14478.2723 243.2508 -203385.8322 2607.6924 0.0000 0.0000 52203.7758 -109417.6995 300.0158 -161621.4752 -109047.6948 299.3455 95.2088 121.8877 759946.3685 2.8651 2.8501 PRESSURE: 3369800 -88.1545 -175.557 50.7253 -175.557 -226.832 26.6727 50.7251 26.673 398.664 GPRESSURE: 3369800 78.3769 -137.517 78.7478 -161.859 -225.86 125.945 133.406 -55.4075 329.006 PRESSAVG: 3369800 33.8533 -16.6696 -19.5413 -16.6696 10.9107 23.5712 -19.5412 23.5711 16.2648 GPRESSAVG: 3369800 35.5759 -17.9479 -19.5158 -13.4852 8.65117 23.5325 -17.398 24.3453 16.3078 TIMING: 3369800 CPU: 10715.7, 0.00311907/step Wall: 10715.7, 0.00311907/step, 1.41242 hours remaining, 241.378906 MB of memory in use. ENERGY: 3369800 4053.6965 20507.6437 14506.6778 244.1562 -203494.2226 2639.2167 0.0000 0.0000 52230.3707 -109312.4610 300.1687 -161542.8317 -108955.6431 299.1628 27.8927 60.5079 760513.4204 20.3429 20.1783 PRESSURE: 3370000 -200.566 -45.6989 102.478 -45.6988 128.668 139.838 102.479 139.839 74.0283 GPRESSURE: 3370000 -150.651 -36.9697 124.758 -158.313 201.822 134.851 21.8554 207.988 42.2511 PRESSAVG: 3370000 -30.7884 -38.5797 -2.26952 -38.5797 9.89334 68.5672 -2.26954 68.5671 -5.57333 GPRESSAVG: 3370000 -34.2395 -37.6022 -1.46383 -39.4085 12.2122 69.1588 -3.57227 67.7193 -3.87067 TIMING: 3370000 CPU: 10716.4, 0.00311938/step Wall: 10716.4, 0.00311938/step, 1.41238 hours remaining, 241.378906 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: 3370000 3961.1892 20462.7553 14446.3322 261.0433 -202889.6042 2341.6390 0.0000 0.0000 52085.7088 -109330.9363 299.3373 -161416.6451 -108957.9841 299.5601 0.7101 31.1407 761454.1636 -8.8228 -8.6327 PRESSURE: 3370200 388.293 -180.232 -308.289 -180.233 327.08 -68.4867 -308.29 -68.4877 82.1185 GPRESSURE: 3370200 328.646 -117.935 -294.276 -221.249 406.002 -180.249 -220.962 -66.6786 129.152 PRESSAVG: 3370200 4.23567 -14.6041 48.4104 -14.6041 26.9397 8.60826 48.4104 8.60829 -20.6721 GPRESSAVG: 3370200 6.20902 -13.2523 46.5107 -13.9935 25.9506 7.32144 48.9125 10.8184 -22.1677 TIMING: 3370200 CPU: 10717, 0.0031357/step Wall: 10717, 0.0031357/step, 1.4196 hours remaining, 241.378906 MB of memory in use. ENERGY: 3370200 4057.9221 20567.9279 14488.2859 233.2474 -203579.0339 2646.6360 0.0000 0.0000 52203.8445 -109381.1702 300.0162 -161585.0147 -109024.4809 299.1759 265.8303 287.9335 758119.8224 3.5011 3.3306 PRESSURE: 3370400 -187.687 13.8066 -27.7206 13.8063 -87.1707 234.36 -27.7202 234.36 -498.293 GPRESSURE: 3370400 -148.411 19.4157 -13.3926 14.5924 -37.3619 257.01 41.8991 219.137 -495.723 PRESSAVG: 3370400 0.207812 -17.7584 13.307 -17.7583 18.8969 85.4882 13.307 85.4882 8.6006 GPRESSAVG: 3370400 1.7256 -20.0887 13.5875 -16.7661 17.5247 85.7009 12.525 84.4358 8.82478 TIMING: 3370400 CPU: 10717.6, 0.0031423/step Wall: 10717.6, 0.0031423/step, 1.42242 hours remaining, 241.378906 MB of memory in use. ENERGY: 3370400 3987.0492 20371.2485 14536.4339 246.0650 -203234.4490 2206.7286 0.0000 0.0000 52416.0373 -109470.8866 301.2357 -161886.9238 -109099.2842 299.3945 -257.7172 -227.1653 760753.2114 9.2351 9.3584 PRESSURE: 3370600 -292.516 80.7981 41.7062 80.7978 -184.718 -241.45 41.7068 -241.451 45.6148 GPRESSURE: 3370600 -271.991 67.3189 28.9945 18.7815 -83.5569 -289.931 43.4733 -161.771 -16.5658 PRESSAVG: 3370600 -49.7109 -28.2268 -35.0182 -28.2268 19.6761 -15.9957 -35.0182 -15.9956 1.98469 GPRESSAVG: 3370600 -51.6615 -26.4914 -35.3738 -30.2235 21.6973 -15.1489 -34.5573 -14.9632 1.99551 TIMING: 3370600 CPU: 10718.2, 0.00313666/step Wall: 10718.2, 0.00313666/step, 1.41969 hours remaining, 241.378906 MB of memory in use. ENERGY: 3370600 3962.5823 20478.2855 14453.8662 251.3504 -203326.7105 2618.5017 0.0000 0.0000 52250.3469 -109311.7775 300.2835 -161562.1244 -108947.4648 299.2329 -143.8731 -124.0380 761164.5268 -9.3500 -9.3229 PRESSURE: 3370800 -230.078 -88.2891 267.087 -88.2895 -57.4864 61.3407 267.086 61.3413 107.823 GPRESSURE: 3370800 -122.015 -85.7572 314.271 -96.67 -80.8895 58.309 261.661 131.5 117.042 PRESSAVG: 3370800 18.0517 -46.3557 31.4898 -46.3558 7.66923 15.1769 31.4898 15.177 -7.5095 GPRESSAVG: 3370800 18.8119 -44.7947 32.2475 -45.236 5.46988 16.1085 31.2092 14.7029 -5.88787 TIMING: 3370800 CPU: 10718.9, 0.00311725/step Wall: 10718.9, 0.00311725/step, 1.41073 hours remaining, 241.378906 MB of memory in use. ENERGY: 3370800 3940.1450 20659.8910 14463.6401 246.2999 -203101.3881 2440.3893 0.0000 0.0000 51936.8411 -109414.1817 298.4817 -161351.0228 -109055.3147 299.2872 -59.9137 -28.6207 760469.3533 6.0705 6.1313 PRESSURE: 3371000 92.1843 37.5645 130.031 37.5645 59.384 -148.924 130.031 -148.925 296.608 GPRESSURE: 3371000 209.196 -63.4436 8.22887 -155.089 3.94738 -87.8106 128.155 -6.05702 314.215 PRESSAVG: 3371000 -27.634 -2.9013 14.0703 -2.90123 64.7147 35.529 14.0703 35.5289 20.5687 GPRESSAVG: 3371000 -26.5784 -5.69168 13.1532 -2.27871 65.648 35.9224 15.3124 34.9867 18.34 TIMING: 3371000 CPU: 10719.5, 0.00312887/step Wall: 10719.5, 0.00312887/step, 1.41581 hours remaining, 241.378906 MB of memory in use. ENERGY: 3371000 3955.5706 20606.4025 14399.4048 246.4691 -203305.3642 2486.3387 0.0000 0.0000 52109.1281 -109502.0506 299.4719 -161611.1786 -109141.3319 299.2772 149.3920 175.7862 760027.8753 19.2164 19.1366 PRESSURE: 3371200 -160.07 123.816 -61.2581 123.817 6.43148 25.3988 -61.2575 25.3981 177.287 GPRESSURE: 3371200 -96.2431 47.5929 -110.335 32.9583 -18.1486 98.0807 -82.7882 38.8776 233.032 PRESSAVG: 3371200 -27.8424 -28.1178 -15.6746 -28.1178 58.2918 -18.109 -15.6746 -18.1089 22.9828 GPRESSAVG: 3371200 -28.5143 -29.0852 -15.1245 -28.0963 57.9158 -19.143 -15.7765 -18.8976 24.0554 TIMING: 3371200 CPU: 10720.1, 0.00314501/step Wall: 10720.1, 0.00314501/step, 1.42294 hours remaining, 241.378906 MB of memory in use. ENERGY: 3371200 4077.3377 20594.9458 14459.4388 243.4878 -203602.7732 2681.8730 0.0000 0.0000 52038.3454 -109507.3448 299.0651 -161545.6902 -109151.2968 299.4237 7.8829 39.5469 761710.4707 17.8107 17.8189 PRESSURE: 3371400 -228.716 15.3008 -61.1452 15.2996 173.484 98.7941 -61.1445 98.7958 17.4409 GPRESSURE: 3371400 -263.765 -9.36808 27.438 -77.1931 269.287 81.7722 -156.941 36.717 41.8782 PRESSAVG: 3371400 -10.636 25.7837 -38.2837 25.7837 2.18695 2.78216 -38.2837 2.78219 3.96396 GPRESSAVG: 3371400 -10.3925 26.3679 -37.2772 26.7084 1.40658 1.48984 -40.2768 6.58888 4.11848 TIMING: 3371400 CPU: 10720.7, 0.00312948/step Wall: 10720.7, 0.00312948/step, 1.41574 hours remaining, 241.378906 MB of memory in use. ENERGY: 3371400 3999.4041 20450.8328 14542.2637 260.9016 -203722.9541 2612.9507 0.0000 0.0000 52217.2638 -109639.3375 300.0933 -161856.6012 -109274.0195 299.2651 -12.5968 15.8003 759507.2806 -1.4950 -1.6225 PRESSURE: 3371600 -257.507 -289.144 -83.249 -289.144 182.438 -48.7932 -83.2488 -48.7929 -225.15 GPRESSURE: 3371600 -151.402 -393.763 -38.8242 -243.907 119.819 -27.0453 -110.987 -65.6695 -185.832 PRESSAVG: 3371600 -52.0522 -20.5802 -18.0671 -20.5803 55.9505 -2.92911 -18.0671 -2.92916 -2.4995 GPRESSAVG: 3371600 -53.1957 -22.407 -18.1126 -21.8688 56.6462 -1.68009 -19.1636 -6.22845 -1.89898 TIMING: 3371600 CPU: 10721.4, 0.00313494/step Wall: 10721.4, 0.00313495/step, 1.41804 hours remaining, 241.378906 MB of memory in use. ENERGY: 3371600 3962.4827 20391.8256 14487.0901 253.1208 -203509.6639 2707.6487 0.0000 0.0000 52032.2624 -109675.2335 299.0301 -161707.4960 -109311.2392 298.9589 -100.0732 -72.4719 760538.1797 0.4663 0.5172 PRESSURE: 3371800 25.3045 59.4568 -141.834 59.4566 185.371 -342.793 -141.833 -342.792 216.249 GPRESSURE: 3371800 188 -34.1843 -75.4572 74.7553 132.53 -321.473 -80.2155 -371.758 191.043 PRESSAVG: 3371800 -22.0133 -39.4613 -30.2264 -39.4613 -1.38295 32.7888 -30.2264 32.7888 20.6288 GPRESSAVG: 3371800 -21.3769 -37.221 -31.3605 -40.0549 -0.839606 31.6545 -29.0005 34.5064 19.8432 TIMING: 3371800 CPU: 10722, 0.00314317/step Wall: 10722, 0.00314317/step, 1.42159 hours remaining, 241.378906 MB of memory in use. ENERGY: 3371800 3975.7510 20375.2178 14441.0072 236.5068 -203553.9823 2748.5604 0.0000 0.0000 51931.5919 -109845.3473 298.4516 -161776.9392 -109471.5481 298.8549 142.3083 170.5246 759998.3022 -0.9225 -0.7911 PRESSURE: 3372000 -265.407 -23.6413 38.7264 -23.6408 -60.8428 -441.391 38.7263 -441.391 -367.853 GPRESSURE: 3372000 -184.677 -188.946 -8.26403 -41.3354 -106.539 -371.633 80.4739 -259.468 -308.341 PRESSAVG: 3372000 -16.3373 0.518939 -26.9181 0.518964 24.1329 -12.0177 -26.9182 -12.0178 18.5244 GPRESSAVG: 3372000 -16.4662 -2.56456 -25.2833 0.970056 24.7999 -11.8862 -26.6902 -12.8789 18.1746 TIMING: 3372000 CPU: 10722.6, 0.00314731/step Wall: 10722.6, 0.00314731/step, 1.42328 hours remaining, 241.378906 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: 3372000 3968.0150 20322.6153 14411.8164 263.4316 -203036.2107 2189.5620 0.0000 0.0000 52246.8238 -109633.9467 300.2632 -161880.7705 -109266.8777 299.5196 -231.3675 -199.8522 761475.5997 8.7733 8.8361 PRESSURE: 3372200 -127.361 -105.512 -291.276 -105.512 69.7015 -102.541 -291.276 -102.541 57.7266 GPRESSURE: 3372200 -73.347 -65.3997 -233.306 -83.8951 90.7252 -47.1724 -348.011 2.04854 86.4854 PRESSAVG: 3372200 48.0097 -38.1519 -16.9627 -38.1519 -4.54401 18.481 -16.9628 18.481 14.7274 GPRESSAVG: 3372200 49.6563 -35.0633 -18.9469 -37.5702 -6.63851 18.857 -15.8023 17.8134 15.4842 TIMING: 3372200 CPU: 10723.3, 0.00313357/step Wall: 10723.3, 0.00313357/step, 1.4169 hours remaining, 241.378906 MB of memory in use. ENERGY: 3372200 3950.6166 20656.5785 14472.0521 230.7076 -203327.6225 2418.2473 0.0000 0.0000 52004.1895 -109595.2310 298.8688 -161599.4204 -109233.8836 298.9646 0.0225 34.6212 760491.6691 19.3977 19.5006 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 0.034770 is 17.8% of average load 0.195395 LDB: Average compute 0.004376 is 2.2% of average load 0.195395 LDB: TIME 10736 LOAD: AVG 0.195395 MAX 0.217538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.891 MB LDB: TIME 10736 LOAD: AVG 0.195395 MAX 0.217538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: TIME 10736 LOAD: AVG 0.195395 MAX 0.217538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 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: 3372400 -166.897 14.4094 83.1975 14.4102 -109.846 32.1724 83.1973 32.1725 -158.777 GPRESSURE: 3372400 -108.83 -6.02575 74.5444 -40.2357 -54.7163 -40.2752 15.8834 77.2293 -197.351 PRESSAVG: 3372400 14.3651 -12.3699 -42.5879 -12.3698 -42.436 14.0561 -42.5879 14.0561 13.7719 GPRESSAVG: 3372400 12.3697 -14.0766 -42.4215 -14.2944 -40.0612 14.9643 -42.7314 15.0517 12.8886 TIMING: 3372400 CPU: 10723.9, 0.00319939/step Wall: 10723.9, 0.00319939/step, 1.44648 hours remaining, 239.894531 MB of memory in use. ENERGY: 3372400 3980.5404 20334.6910 14400.7183 244.1760 -203644.0655 2657.1702 0.0000 0.0000 52177.8773 -109848.8922 299.8670 -162026.7695 -109488.9113 298.8266 -145.1737 -120.2989 760619.5548 -4.7663 -4.9343 PRESSURE: 3372600 -136.547 -126.747 -70.3608 -126.747 -15.1661 -150.727 -70.3606 -150.726 60.1652 GPRESSURE: 3372600 -40.1501 -190.656 -211.186 -149.35 -25.3587 -130.177 -91.7284 -182.605 79.9883 PRESSAVG: 3372600 -8.91968 -28.6322 5.21535 -28.6321 12.0337 -18.0244 5.21548 -18.0244 -6.90059 GPRESSAVG: 3372600 -7.44633 -26.6957 6.24236 -26.8363 11.1266 -17.0775 4.51022 -21.4584 -7.34559 TIMING: 3372600 CPU: 10724.5, 0.00315558/step Wall: 10724.5, 0.00315558/step, 1.4265 hours remaining, 240.097656 MB of memory in use. ENERGY: 3372600 3950.8068 20508.4925 14423.5951 242.0145 -203679.8802 2702.8231 0.0000 0.0000 52008.2813 -109843.8670 298.8923 -161852.1483 -109470.2941 298.6934 -30.5159 4.8265 761303.7896 -1.2622 -1.2218 PRESSURE: 3372800 274.591 166.701 -128.698 166.701 146.581 232.267 -128.698 232.267 -7.06153 GPRESSURE: 3372800 265.698 144.366 -215.837 110.404 138.307 229.455 -74.4563 167.375 113.223 PRESSAVG: 3372800 -21.9439 -56.2044 -4.64504 -56.2043 -1.88103 -24.9815 -4.64508 -24.9816 -8.01567 GPRESSAVG: 3372800 -23.0946 -56.8742 -3.45689 -55.7265 -1.38329 -25.7754 -6.66767 -20.9629 -7.23098 TIMING: 3372800 CPU: 10725.2, 0.00316576/step Wall: 10725.2, 0.00316576/step, 1.43092 hours remaining, 240.097656 MB of memory in use. ENERGY: 3372800 3986.3819 20446.6809 14414.9669 232.1753 -203740.8251 2726.2850 0.0000 0.0000 52219.4700 -109714.8652 300.1060 -161934.3352 -109351.4643 298.4828 138.0366 172.4096 761010.6400 -10.6135 -10.5696 PRESSURE: 3373000 383.027 88.1963 43.5 88.1968 148.346 -65.1496 43.5006 -65.1503 118.035 GPRESSURE: 3373000 386.65 71.4536 30.8243 128.791 167.819 -84.4228 23.0531 -80.7161 189.686 PRESSAVG: 3373000 -8.96885 -4.75846 -53.8653 -4.7584 36.6347 32.9083 -53.8653 32.9083 27.4367 GPRESSAVG: 3373000 -8.56531 -4.8671 -55.0958 -6.36085 36.5742 32.5029 -52.3663 30.9912 26.9205 TIMING: 3373000 CPU: 10725.8, 0.00314539/step Wall: 10725.8, 0.00314539/step, 1.42154 hours remaining, 240.097656 MB of memory in use. ENERGY: 3373000 3955.9941 20586.7918 14461.4983 252.1115 -203653.9392 2752.5855 0.0000 0.0000 52100.5243 -109544.4337 299.4224 -161644.9580 -109180.5335 298.9364 216.4694 248.0517 760807.3030 18.3675 18.3098 PRESSURE: 3373200 68.627 -101.12 104.968 -101.12 -268.229 -139.08 104.968 -139.079 257.744 GPRESSURE: 3373200 188.866 -106.705 110.631 -44.5858 -241.845 -58.7867 83.3263 -132.458 200.38 PRESSAVG: 3373200 5.76942 -30.6603 -41.4667 -30.6603 47.5365 -33.1891 -41.4666 -33.1892 -16.0582 GPRESSAVG: 3373200 5.90421 -30.2086 -41.9944 -31.1882 46.1639 -33.2318 -40.128 -32.9383 -15.2222 TIMING: 3373200 CPU: 10726.4, 0.00314318/step Wall: 10726.4, 0.00314318/step, 1.42037 hours remaining, 240.097656 MB of memory in use. ENERGY: 3373200 4023.1674 20507.4217 14482.1663 246.8982 -203037.4456 2448.2148 0.0000 0.0000 52148.0275 -109181.5497 299.6954 -161329.5772 -108825.8094 298.9972 19.3808 49.1334 760617.4152 12.4159 12.2820 PRESSURE: 3373400 -168.349 4.14987 147.654 4.1492 -368.327 -11.2521 147.654 -11.2516 -206.889 GPRESSURE: 3373400 -182.425 132.46 94.798 -5.86133 -338.874 -12.034 123.195 9.90675 -141.382 PRESSAVG: 3373400 2.65944 -69.5353 -44.1131 -69.5353 1.57397 38.3421 -44.1131 38.3422 14.5263 GPRESSAVG: 3373400 2.22123 -68.7099 -44.6034 -69.1069 2.2082 38.1637 -44.3298 39.2279 14.1603 TIMING: 3373400 CPU: 10727, 0.00314527/step Wall: 10727, 0.00314527/step, 1.42114 hours remaining, 240.097656 MB of memory in use. ENERGY: 3373400 4044.0530 20541.7389 14508.8302 234.9991 -203045.5468 2204.9914 0.0000 0.0000 52305.6656 -109205.2686 300.6014 -161510.9342 -108844.2099 300.1066 -247.8549 -220.8939 761881.4389 6.2532 6.1966 PRESSURE: 3373600 376.333 -55.4238 61.5917 -55.4228 165.028 -31.9979 61.5924 -31.9978 -177.624 GPRESSURE: 3373600 336.642 -120.646 45.539 -141.589 231.608 -167.648 58.0665 32.5131 -103.722 PRESSAVG: 3373600 8.24865 -25.6201 -34.4424 -25.6201 -15.4157 17.2582 -34.4424 17.2581 3.55115 GPRESSAVG: 3373600 7.0163 -25.2615 -33.5035 -26.5801 -15.6824 18.5401 -36.3311 15.0785 4.65645 TIMING: 3373600 CPU: 10727.7, 0.00314859/step Wall: 10727.7, 0.00314859/step, 1.42246 hours remaining, 240.097656 MB of memory in use. ENERGY: 3373600 4024.0339 20587.7354 14526.3315 237.0712 -203379.5644 2756.7573 0.0000 0.0000 52149.1560 -109098.4791 299.7019 -161247.6351 -108737.9427 299.8664 121.2459 154.8425 760599.2769 -1.2053 -1.3366 PRESSURE: 3373800 230.782 177.413 -52.2727 177.413 287.72 -281.121 -52.2726 -281.121 371.626 GPRESSURE: 3373800 189.639 58.3857 -136.559 190.265 332.327 -275.313 64.4108 -118.841 440.284 PRESSAVG: 3373800 -37.9864 -32.9675 -19.4303 -32.9675 45.7853 69.5376 -19.4303 69.5375 -8.53562 GPRESSAVG: 3373800 -37.8807 -34.0374 -20.447 -32.1545 46.5919 68.9401 -18.9489 71.3556 -9.7098 TIMING: 3373800 CPU: 10728.3, 0.0031558/step Wall: 10728.3, 0.0031558/step, 1.42555 hours remaining, 240.097656 MB of memory in use. ENERGY: 3373800 3964.0988 20592.9970 14582.3742 222.0241 -203311.2960 2727.8834 0.0000 0.0000 52189.2873 -109032.6311 299.9326 -161221.9184 -108669.4156 300.2894 296.7093 320.7502 762622.5948 -0.2456 -0.3329 PRESSURE: 3374000 -165.546 152.137 -16.7285 152.137 -364.3 16.1868 -16.7294 16.1876 251.418 GPRESSURE: 3374000 -70.0753 -12.883 -47.1195 117.73 -361.384 -43.7259 -14.5221 79.0529 196.724 PRESSAVG: 3374000 19.2497 -36.4401 -34.5025 -36.44 -6.86794 -20.9646 -34.5024 -20.9646 -1.4236 GPRESSAVG: 3374000 18.4442 -35.5707 -32.9818 -35.9181 -6.74088 -21.5209 -30.9183 -20.8224 -0.73636 TIMING: 3374000 CPU: 10728.9, 0.00314267/step Wall: 10728.9, 0.00314267/step, 1.41944 hours remaining, 240.097656 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: 3374000 4008.4365 20519.3810 14525.9842 231.4162 -202827.9594 2336.7392 0.0000 0.0000 51939.5894 -109266.4128 298.4975 -161206.0022 -108904.3333 299.8241 -92.8093 -78.2453 760946.5697 3.6527 3.6557 PRESSURE: 3374200 83.4721 -116.482 166.62 -116.482 79.9884 116.368 166.62 116.368 140.37 GPRESSURE: 3374200 248.74 -234.114 159.785 1.33152 -13.2182 135.485 284.6 84.2749 152.488 PRESSAVG: 3374200 17.4473 31.5298 -67.9689 31.5298 -2.29218 -10.1158 -67.9689 -10.1157 -16.1797 GPRESSAVG: 3374200 18.4555 30.4908 -67.9944 32.5967 -3.4417 -11.3531 -73.0584 -8.95509 -16.424 TIMING: 3374200 CPU: 10729.6, 0.00313117/step Wall: 10729.6, 0.00313117/step, 1.41407 hours remaining, 240.097656 MB of memory in use. ENERGY: 3374200 3920.7367 20562.4039 14481.0330 251.0589 -203031.1860 2546.0742 0.0000 0.0000 51989.0580 -109280.8214 298.7818 -161269.8794 -108927.6414 299.4920 101.2767 129.3366 761278.2758 -0.3415 -0.4701 PRESSURE: 3374400 303.339 -190.516 -137.233 -190.516 135.909 -59.8982 -137.232 -59.8982 367.358 GPRESSURE: 3374400 360.862 -280.833 -252.611 -96.6606 135.724 5.08255 -229.326 -51.8461 415.442 PRESSAVG: 3374400 20.6563 -17.9024 -5.85896 -17.9024 -8.45187 25.5064 -5.85897 25.5062 -8.77569 GPRESSAVG: 3374400 21.0723 -15.55 -8.69883 -18.7991 -8.48784 27.8904 -2.38851 21.4645 -8.94503 TIMING: 3374400 CPU: 10730.2, 0.00317972/step Wall: 10730.2, 0.00317972/step, 1.43582 hours remaining, 240.097656 MB of memory in use. ENERGY: 3374400 4058.0381 20382.6219 14468.9301 254.2174 -203500.9354 2862.9612 0.0000 0.0000 52204.1456 -109270.0211 300.0179 -161474.1667 -108905.7374 299.2372 268.8688 304.0090 761315.8490 1.1429 1.2132 PRESSURE: 3374600 17.3434 45.0195 130.687 45.0192 126.103 -270.168 130.686 -270.168 -229.014 GPRESSURE: 3374600 -31.875 25.1304 106.177 59.9078 215.505 -157.179 84.5886 -195.867 -192.189 PRESSAVG: 3374600 25.5098 9.82386 -7.2498 9.82377 19.1063 14.6307 -7.2498 14.6307 20.0338 GPRESSAVG: 3374600 25.2724 9.29993 -5.47815 8.8278 19.2605 14.1973 -7.05474 15.7267 20.1144 TIMING: 3374600 CPU: 10730.8, 0.00317167/step Wall: 10730.8, 0.00317167/step, 1.43201 hours remaining, 240.097656 MB of memory in use. ENERGY: 3374600 4066.6823 20426.4347 14350.2953 268.7136 -202924.6303 2270.2830 0.0000 0.0000 52218.8127 -109323.4086 300.1022 -161542.2213 -108959.1389 299.6922 -28.5225 -2.8532 763154.0891 21.5500 21.5491 PRESSURE: 3374800 -194.407 63.0822 62.0307 63.0824 -71.7111 -163.245 62.0316 -163.245 163.514 GPRESSURE: 3374800 -158.171 -26.6215 -18.9017 56.6153 -66.4501 -170.631 30.2678 -22.4084 195.903 PRESSAVG: 3374800 7.64916 0.255346 -3.70542 0.255417 9.15393 -42.3386 -3.70543 -42.3387 14.5451 GPRESSAVG: 3374800 6.87152 0.424401 -3.4388 -0.225339 10.4467 -43.0342 -4.83355 -40.2204 14.0674 TIMING: 3374800 CPU: 10731.5, 0.00316384/step Wall: 10731.5, 0.00316384/step, 1.4283 hours remaining, 240.097656 MB of memory in use. ENERGY: 3374800 3948.0392 20694.9488 14420.0697 267.4170 -203148.9081 2553.7081 0.0000 0.0000 51984.5173 -109280.2081 298.7557 -161264.7253 -108921.0745 299.2353 -34.2014 -9.5726 762512.5483 10.4494 10.4619 PRESSURE: 3375000 -252.554 30.7263 415.877 30.7262 -409.024 257.55 415.878 257.55 56.9367 GPRESSURE: 3375000 -212.09 63.7481 321.04 -107.047 -341.288 168.482 326.01 113.671 46.1577 PRESSAVG: 3375000 -73.6189 9.57658 23.0002 9.57658 28.8533 -7.79977 23.0002 -7.79979 -5.47861 GPRESSAVG: 3375000 -74.3387 8.22074 22.1415 10.1064 30.1324 -7.38543 25.3495 -9.20618 -5.80678 TIMING: 3375000 CPU: 10732.1, 0.00315877/step Wall: 10732.1, 0.00315877/step, 1.42583 hours remaining, 240.097656 MB of memory in use. ENERGY: 3375000 3994.0779 20418.9280 14517.2691 233.3111 -203240.1449 2517.6542 0.0000 0.0000 52393.8653 -109165.0393 301.1083 -161558.9046 -108802.9852 299.6646 -201.5472 -169.0733 761891.4338 -16.7481 -16.6710 PRESSURE: 3375200 -33.3628 -139.792 -152.335 -139.793 -325.709 81.0595 -152.335 81.0609 114.482 GPRESSURE: 3375200 -1.24298 -217.394 -46.7659 -37.6855 -312.757 93.1576 -231.032 -71.9771 155.974 PRESSAVG: 3375200 16.8501 12.5057 -1.32112 12.5056 24.7946 20.3643 -1.32112 20.3644 4.32119 GPRESSAVG: 3375200 17.2019 10.4669 -1.21684 15.1566 23.4366 19.055 -3.50736 20.3725 5.63296 TIMING: 3375200 CPU: 10732.7, 0.00315931/step Wall: 10732.7, 0.00315931/step, 1.4259 hours remaining, 240.097656 MB of memory in use. ENERGY: 3375200 4006.1637 20600.9244 14462.4874 258.1134 -202866.0562 2481.2508 0.0000 0.0000 52196.2471 -108860.8693 299.9725 -161057.1165 -108496.4720 300.0201 -81.5301 -52.6752 761884.1286 15.3220 15.4238 PRESSURE: 3375400 -61.5357 -28.8795 31.8243 -28.8799 -243.287 -33.867 31.8244 -33.8671 -385.136 GPRESSURE: 3375400 25.9668 -46.3696 -27.3832 37.0933 -254.515 -86.3182 66.8425 8.10638 -390.574 PRESSAVG: 3375400 45.1625 -4.18461 4.42595 -4.18464 13.8052 -7.93783 4.42589 -7.93785 12.8166 GPRESSAVG: 3375400 46.1757 -4.71729 5.97506 -3.23807 12.6731 -7.76115 4.19705 -8.55803 13.0828 TIMING: 3375400 CPU: 10733.4, 0.0031557/step Wall: 10733.4, 0.0031557/step, 1.4241 hours remaining, 240.097656 MB of memory in use. ENERGY: 3375400 3969.3190 20521.9142 14514.0805 244.2177 -202689.3366 2230.6551 0.0000 0.0000 52337.8091 -108871.3410 300.7861 -161209.1500 -108506.6703 300.5912 -229.9860 -206.3739 762821.0270 23.9281 23.9772 PRESSURE: 3375600 -191.704 102.997 63.4014 102.996 -10.8885 -209.611 63.4015 -209.61 129.851 GPRESSURE: 3375600 -106.581 96.9165 108.627 167.858 -31.2591 -224.702 77.8767 -128.255 164.788 PRESSAVG: 3375600 15.4575 37.6975 0.425996 37.6976 -15.9806 1.72053 0.425996 1.72059 6.89025 GPRESSAVG: 3375600 14.9021 40.7098 1.20048 36.1962 -14.3965 1.25696 -0.285919 5.03767 5.9685 TIMING: 3375600 CPU: 10734, 0.00311113/step Wall: 10734, 0.00311113/step, 1.40381 hours remaining, 240.097656 MB of memory in use. ENERGY: 3375600 3999.1926 20601.0583 14436.4222 260.2642 -202902.7473 2526.1654 0.0000 0.0000 52111.1629 -108968.4818 299.4836 -161079.6446 -108613.6797 300.5677 -24.2472 8.9827 763651.3777 2.1224 2.1580 PRESSURE: 3375800 -218.992 -185.473 85.7811 -185.473 283.974 -155.481 85.78 -155.48 -253.736 GPRESSURE: 3375800 -90.4814 -94.4491 29.7248 -215.94 179.547 -201.586 6.97488 -261.5 -203.69 PRESSAVG: 3375800 -8.69743 2.22187 -25.1699 2.22187 7.63627 -73.5383 -25.1699 -73.5383 -2.60423 GPRESSAVG: 3375800 -9.24302 3.18409 -26.9159 0.38646 6.56685 -71.5391 -24.209 -75.8192 -1.27043 TIMING: 3375800 CPU: 10734.6, 0.00315849/step Wall: 10734.6, 0.00315849/step, 1.42501 hours remaining, 240.097656 MB of memory in use. ENERGY: 3375800 4042.8004 20628.4064 14470.9513 258.3229 -203214.8598 2760.1262 0.0000 0.0000 52119.7243 -108934.5282 299.5328 -161054.2525 -108585.1007 300.3283 -62.9179 -38.2082 762532.9919 -1.2218 -1.3155 PRESSURE: 3376000 -332.008 43.5772 -242.379 43.578 -125.204 27.7446 -242.378 27.7434 -276.171 GPRESSURE: 3376000 -306.827 3.28686 -294.552 199.883 -44.7527 -90.4835 -166.497 -36.1111 -263.097 PRESSAVG: 3376000 -31.1037 -14.882 10.8021 -14.882 31.7987 17.6225 10.8021 17.6224 -8.95657 GPRESSAVG: 3376000 -31.0625 -17.0965 10.6855 -13.6986 31.6046 18.2876 11.3856 15.6804 -8.81324 TIMING: 3376000 CPU: 10735.2, 0.00317236/step Wall: 10735.2, 0.00317236/step, 1.43109 hours remaining, 240.097656 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: 3376000 4001.9699 20605.4987 14529.3456 252.5245 -202860.7660 2289.6981 0.0000 0.0000 52321.2462 -108860.4829 300.6909 -161181.7291 -108494.5524 300.3289 -244.4609 -204.8923 761831.6114 -2.7538 -2.7570 PRESSURE: 3376200 -126.393 -10.0861 -248.628 -10.086 -13.7393 -10.672 -248.628 -10.6723 297.6 GPRESSURE: 3376200 -111.284 164.492 -91.8439 178.345 2.88802 -36.0587 -120.159 124.724 346.297 PRESSAVG: 3376200 -36.6605 19.7764 26.108 19.7764 1.30503 -32.6585 26.1081 -32.6584 20.596 GPRESSAVG: 3376200 -36.4644 19.6594 25.925 19.7382 1.51551 -34.0747 26.6662 -32.6022 20.4158 TIMING: 3376200 CPU: 10735.9, 0.00315541/step Wall: 10735.9, 0.00315541/step, 1.42327 hours remaining, 240.097656 MB of memory in use. ENERGY: 3376200 3937.3790 20694.5387 14482.7877 248.8658 -203090.4267 2570.4218 0.0000 0.0000 52265.0212 -108891.4125 300.3678 -161156.4337 -108522.9069 300.3131 52.4892 79.3004 761315.6794 -4.9198 -4.8444 LDB: ============= START OF LOAD BALANCING ============== 10748.3 LDB: ============== END OF LOAD BALANCING =============== 10748.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10748.3 LDB: ============= START OF LOAD BALANCING ============== 10748.6 LDB: Largest compute 7073 load 0.035285 is 18.1% of average load 0.195333 LDB: Average compute 0.004417 is 2.3% of average load 0.195333 LDB: TIME 10748.6 LOAD: AVG 0.195333 MAX 0.214644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 10748.6 LOAD: AVG 0.195333 MAX 0.214644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 MB LDB: TIME 10748.6 LOAD: AVG 0.195333 MAX 0.214644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 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 ================ 10748.7 PRESSURE: 3376400 -217.694 -117.217 42.9985 -117.217 -168.551 116.074 42.9973 116.074 -196.696 GPRESSURE: 3376400 -182.888 112.043 25.3798 -152.168 -164.663 29.0962 -39.3779 197.7 -146.974 PRESSAVG: 3376400 -63.9721 8.71496 -48.149 8.71496 -6.51109 -10.7944 -48.149 -10.7944 18.1926 GPRESSAVG: 3376400 -63.7425 9.41024 -47.8133 8.14236 -7.91858 -10.3782 -47.5477 -9.53555 19.3477 TIMING: 3376400 CPU: 10736.5, 0.00320776/step Wall: 10736.5, 0.00320776/step, 1.4467 hours remaining, 238.812500 MB of memory in use. ENERGY: 3376400 3956.4853 20715.1065 14424.7532 272.1247 -203181.4019 2462.1390 0.0000 0.0000 52480.1595 -108870.6336 301.6042 -161350.7932 -108509.0253 300.4030 -194.3137 -164.8415 761592.4937 -17.4302 -17.4378 PRESSURE: 3376600 31.4582 -21.1581 -153.63 -21.1585 -345.028 -175.792 -153.631 -175.793 234.745 GPRESSURE: 3376600 55.1152 -21.2895 -196.385 -26.3442 -310.064 -99.5371 -178.455 -258.982 267.265 PRESSAVG: 3376600 -17.5364 -65.9794 -64.6802 -65.9794 60.0759 31.9461 -64.6801 31.946 32.4267 GPRESSAVG: 3376600 -18.5034 -67.6617 -64.6567 -65.489 61.3182 31.4844 -65.5211 33.2865 32.5211 TIMING: 3376600 CPU: 10737.1, 0.00312595/step Wall: 10737.1, 0.00312595/step, 1.40963 hours remaining, 238.812500 MB of memory in use. ENERGY: 3376600 4044.0470 20569.0007 14551.8938 251.1044 -203284.7788 2602.7766 0.0000 0.0000 52147.4870 -109118.4693 299.6923 -161265.9564 -108763.7704 300.5298 -26.2749 4.1054 761207.5663 24.9887 25.1119 PRESSURE: 3376800 -137.269 -73.0113 -98.475 -73.0112 -350.893 0.00270061 -98.4754 0.00345015 166.29 GPRESSURE: 3376800 -60.2781 -145.284 -72.7358 -87.8254 -230.755 -78.6872 -155.615 19.9385 65.4223 PRESSAVG: 3376800 -3.8298 30.1237 9.19035 30.1237 19.4572 -0.0648467 9.19033 -0.0649128 17.1844 GPRESSAVG: 3376800 -2.99535 30.5392 10.9061 29.9557 20.5388 -1.03486 8.03031 -2.51285 15.4529 TIMING: 3376800 CPU: 10737.8, 0.00311671/step Wall: 10737.8, 0.00311671/step, 1.40529 hours remaining, 238.812500 MB of memory in use. ENERGY: 3376800 4000.9503 20580.1990 14527.2385 233.0922 -203486.3641 2588.1141 0.0000 0.0000 52183.2615 -109373.5087 299.8979 -161556.7701 -109011.6605 299.5830 -107.2909 -75.2037 760464.7809 10.9373 10.9988 PRESSURE: 3377000 77.9508 -28.5475 -181.163 -28.5487 138.636 106.013 -181.163 106.014 -89.8075 GPRESSURE: 3377000 84.8964 -18.639 -207.519 -69.721 118.76 74.109 -136.166 120.124 -14.6902 PRESSAVG: 3377000 -25.3776 7.36725 17.785 7.36726 -14.0384 42.5758 17.785 42.5758 -5.12939 GPRESSAVG: 3377000 -25.9482 8.38146 14.8101 7.01706 -14.5586 41.4907 19.5951 45.2146 -4.58737 TIMING: 3377000 CPU: 10738.4, 0.00315835/step Wall: 10738.4, 0.00315835/step, 1.42389 hours remaining, 238.812500 MB of memory in use. ENERGY: 3377000 3983.4413 20506.7417 14544.6377 247.9796 -203553.1901 2625.1998 0.0000 0.0000 52249.4711 -109395.7189 300.2784 -161645.1900 -109024.8058 299.3878 42.2598 62.9888 761035.6234 -14.8484 -15.0314 PRESSURE: 3377200 118.189 -21.5955 152.239 -21.5954 54.523 -246.937 152.239 -246.936 -324.608 GPRESSURE: 3377200 82.4699 -28.17 133.253 -52.6675 62.1455 -205.009 162.248 -113.449 -209.213 PRESSAVG: 3377200 25.0387 -6.86023 -15.585 -6.86019 8.99501 -3.42701 -15.585 -3.42697 -7.3671 GPRESSAVG: 3377200 23.5267 -7.53489 -13.6944 -6.21254 8.39441 -1.1292 -17.6346 -4.44886 -5.70679 TIMING: 3377200 CPU: 10739, 0.00313696/step Wall: 10739, 0.00313696/step, 1.41407 hours remaining, 238.812500 MB of memory in use. ENERGY: 3377200 3939.5082 20561.4108 14496.5019 255.5739 -203525.8414 2568.7370 0.0000 0.0000 52384.3443 -109319.7652 301.0535 -161704.1095 -108963.1011 299.8626 -50.6322 -21.5326 759803.9949 8.8889 8.7381 PRESSURE: 3377400 144.638 112.113 -46.295 112.113 -330.927 -52.1568 -46.2948 -52.1556 60.173 GPRESSURE: 3377400 301.811 180.869 28.2609 127.998 -247.783 -15.6929 18.1726 129.442 -75.7347 PRESSAVG: 3377400 11.2772 13.0582 -25.9118 13.0581 -7.91202 -18.2489 -25.9118 -18.2489 -5.99676 GPRESSAVG: 3377400 13.1859 12.2602 -25.7369 12.8795 -7.61583 -18.4802 -24.2334 -17.625 -7.86694 TIMING: 3377400 CPU: 10739.7, 0.00314115/step Wall: 10739.7, 0.00314115/step, 1.41579 hours remaining, 238.812500 MB of memory in use. ENERGY: 3377400 4013.4102 20418.4603 14459.3968 270.5561 -203207.2283 2602.0141 0.0000 0.0000 52088.4695 -109354.9214 299.3532 -161443.3909 -108991.0005 299.5665 -42.0387 -7.2357 761249.3228 -0.8772 -0.7656 PRESSURE: 3377600 -37.9671 -120.282 337.787 -120.282 -224.113 198.594 337.788 198.594 -249.36 GPRESSURE: 3377600 -43.443 -27.8826 304.087 -81.8169 -148.231 125.685 312.672 166.439 -245.124 PRESSAVG: 3377600 -12.5267 -9.84158 4.0611 -9.8415 55.0453 -14.4025 4.06116 -14.4024 -8.64985 GPRESSAVG: 3377600 -13.6071 -6.31986 2.76478 -9.209 56.2724 -15.3446 5.21842 -16.0804 -8.72331 TIMING: 3377600 CPU: 10740.3, 0.00311599/step Wall: 10740.3, 0.00311599/step, 1.40427 hours remaining, 238.812500 MB of memory in use. ENERGY: 3377600 3883.1310 20393.1639 14513.2721 248.2312 -203274.8679 2713.2988 0.0000 0.0000 52146.9493 -109376.8217 299.6892 -161523.7710 -109021.8892 299.6626 -170.4800 -145.5994 759931.6833 11.2896 11.3140 PRESSURE: 3377800 165.37 -37.3646 217.206 -37.3645 -10.5928 188.032 217.205 188.031 266.55 GPRESSURE: 3377800 321.853 -102.774 206.652 -18.0726 -17.9298 186.554 202.183 189.393 210.797 PRESSAVG: 3377800 9.07251 35.3652 11.3924 35.3652 24.4317 -45.1031 11.3924 -45.1031 -2.87785 GPRESSAVG: 3377800 10.714 32.4978 11.7983 35.561 23.7476 -44.4279 9.7311 -43.2459 -3.51638 TIMING: 3377800 CPU: 10740.9, 0.00314767/step Wall: 10740.9, 0.00314767/step, 1.41838 hours remaining, 238.812500 MB of memory in use. ENERGY: 3377800 4012.6565 20408.6791 14520.6376 252.9113 -203457.3033 2771.0186 0.0000 0.0000 52141.0588 -109350.3413 299.6554 -161491.4001 -108990.4699 299.4827 140.4421 171.5734 758847.3368 10.2088 10.3151 PRESSURE: 3378000 -68.2277 161.525 -389.465 161.527 -128.216 -43.5648 -389.465 -43.565 211.598 GPRESSURE: 3378000 -29.5553 191.028 -395.245 162.924 -74.342 -34.5008 -265.312 -71.3599 193.191 PRESSAVG: 3378000 28.1142 -13.2426 20.3654 -13.2427 -31.5539 -80.2252 20.3653 -80.2252 14.7737 GPRESSAVG: 3378000 27.0373 -11.1886 22.6781 -12.9149 -32.1137 -80.0912 17.9728 -81.9199 16.4705 TIMING: 3378000 CPU: 10741.5, 0.00313581/step Wall: 10741.5, 0.00313581/step, 1.41286 hours remaining, 238.812500 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: 3378000 4021.5505 20286.1535 14470.4324 253.0569 -203348.3102 2625.7654 0.0000 0.0000 52180.0877 -109511.2636 299.8797 -161691.3514 -109142.5497 299.3044 5.0513 29.7646 760715.8309 3.7780 3.7980 PRESSURE: 3378200 -34.7302 -92.025 -71.1813 -92.025 -40.8654 -40.5499 -71.1812 -40.5494 -103.097 GPRESSURE: 3378200 44.283 -66.9853 -141.484 -225.68 -79.3169 10.2739 -163.313 179.111 -34.3904 PRESSAVG: 3378200 -34.786 -81.4911 43.2993 -81.4911 36.4896 -56.6241 43.2994 -56.6241 12.7866 GPRESSAVG: 3378200 -35.6673 -82.8208 42.207 -81.1586 37.964 -55.5092 44.2304 -55.722 11.7634 TIMING: 3378200 CPU: 10742.2, 0.00315011/step Wall: 10742.2, 0.00315011/step, 1.41912 hours remaining, 238.812500 MB of memory in use. ENERGY: 3378200 4009.7342 20411.5234 14496.3122 232.9916 -203075.5742 2320.0118 0.0000 0.0000 51941.9074 -109663.0936 298.5109 -161605.0010 -109306.2736 298.5201 -59.5641 -23.1414 761381.1396 4.8301 4.6867 PRESSURE: 3378400 -199.156 -11.6641 -313.978 -11.6635 207.578 59.764 -313.977 59.7634 -98.3843 GPRESSURE: 3378400 -218.021 -3.38939 -279.722 -23.6737 218.271 99.1357 -314.943 131.438 -19.4302 PRESSAVG: 3378400 -27.0327 -28.8509 -5.22974 -28.8508 15.6634 -2.02862 -5.22978 -2.02854 24.2269 GPRESSAVG: 3378400 -26.1698 -28.7482 -5.89125 -30.0372 14.077 -3.19934 -3.50097 -1.66204 24.5403 TIMING: 3378400 CPU: 10742.8, 0.00314089/step Wall: 10742.8, 0.00314089/step, 1.4148 hours remaining, 238.812500 MB of memory in use. ENERGY: 3378400 3968.9916 20519.7268 14417.8439 241.9675 -203134.7507 2436.5856 0.0000 0.0000 51870.9368 -109678.6985 298.1030 -161549.6353 -109313.6708 298.4919 -29.9872 -6.3934 762095.7559 4.2859 4.1492 PRESSURE: 3378600 249.571 -169.773 -262.489 -169.772 -44.2978 16.3973 -262.489 16.398 130.924 GPRESSURE: 3378600 186.953 -138.872 -201.836 -221.821 128.563 110.235 -254.066 -46.3898 120.468 PRESSAVG: 3378600 -90.721 -56.9347 -55.4741 -56.9348 74.7515 -17.3795 -55.4742 -17.3794 -12.8441 GPRESSAVG: 3378600 -91.01 -57.8951 -54.2997 -55.8248 74.4953 -18.0289 -57.1704 -19.2838 -12.2113 TIMING: 3378600 CPU: 10743.4, 0.00314319/step Wall: 10743.4, 0.00314319/step, 1.41566 hours remaining, 238.812500 MB of memory in use. ENERGY: 3378600 3913.1844 20392.9134 14485.0569 242.4915 -203473.8679 2878.0705 0.0000 0.0000 52007.5771 -109554.5740 298.8883 -161562.1511 -109192.1166 298.5219 112.0656 145.3280 762070.3394 -9.6045 -9.5753 PRESSURE: 3378800 -136.582 112.084 135.335 112.084 475.204 -143.533 135.335 -143.532 -16.2101 GPRESSURE: 3378800 -49.0231 17.0621 147.382 39.9315 425.015 -213.555 197.187 -119.607 32.7777 PRESSAVG: 3378800 -22.7562 -71.7917 -14.4865 -71.7917 50.0147 -16.7292 -14.4865 -16.7292 22.158 GPRESSAVG: 3378800 -23.4059 -69.5378 -16.2882 -71.7202 51.8406 -15.7077 -12.336 -15.0656 21.6874 TIMING: 3378800 CPU: 10744, 0.0031455/step Wall: 10744, 0.0031455/step, 1.41652 hours remaining, 238.812500 MB of memory in use. ENERGY: 3378800 3961.3406 20561.0722 14532.6700 230.3232 -203593.8993 2748.7784 0.0000 0.0000 51875.5814 -109684.1335 298.1297 -161559.7149 -109322.1225 298.7254 107.4707 136.2565 760333.1161 16.4722 16.7074 PRESSURE: 3379000 103.32 -125.8 -221.812 -125.8 49.1694 -129.867 -221.812 -129.869 -0.936177 GPRESSURE: 3379000 39.7517 -207.603 -258.985 -168.531 93.7931 -17.8667 -213.839 -96.7718 99.6749 PRESSAVG: 3379000 -22.2206 8.12045 -0.917584 8.12044 0.184873 10.0665 -0.917576 10.0665 -1.41148 GPRESSAVG: 3379000 -21.7541 7.77225 -0.0624772 8.46758 -0.894648 10.441 -1.75706 8.81488 -1.25396 TIMING: 3379000 CPU: 10744.7, 0.00313269/step Wall: 10744.7, 0.00313269/step, 1.41058 hours remaining, 238.812500 MB of memory in use. ENERGY: 3379000 4042.2941 20585.4143 14473.6740 258.0726 -203464.1884 2718.2686 0.0000 0.0000 51849.7246 -109536.7402 297.9811 -161386.4648 -109183.4656 299.3561 50.5178 77.7399 760818.0140 -7.8157 -7.9676 PRESSURE: 3379200 -120.398 -220.439 -203.75 -220.44 27.4386 194.202 -203.75 194.202 -209.283 GPRESSURE: 3379200 -14.8543 -230.418 -318.317 -199.027 49.1385 217.551 -163.639 110.554 -238.596 PRESSAVG: 3379200 -23.8197 -73.494 -37.4016 -73.494 26.3179 -22.7854 -37.4016 -22.7853 -0.299246 GPRESSAVG: 3379200 -22.1114 -72.9975 -38.0464 -75.3348 25.523 -23.0364 -37.6092 -22.504 -0.853071 TIMING: 3379200 CPU: 10745.3, 0.00312011/step Wall: 10745.3, 0.00312011/step, 1.40474 hours remaining, 238.812500 MB of memory in use. ENERGY: 3379200 4069.7736 20579.4586 14571.2564 234.8163 -203793.7049 2655.4582 0.0000 0.0000 51998.2010 -109684.7409 298.8344 -161682.9419 -109323.0690 299.3224 -100.7474 -68.1039 758486.0405 0.7330 0.8528 PRESSURE: 3379400 -182.234 -222.161 36.9334 -222.161 171.831 99.5581 36.9336 99.5586 53.1732 GPRESSURE: 3379400 -190.394 -77.6325 33.2545 -112.798 184.702 105.058 -20.0735 48.519 128.773 PRESSAVG: 3379400 -29.2865 -41.4396 -10.8569 -41.4396 12.5184 14.0869 -10.8568 14.0869 -16.7825 GPRESSAVG: 3379400 -30.1485 -41.0688 -9.87262 -40.7083 13.3748 14.5493 -11.3477 14.6382 -17.0127 TIMING: 3379400 CPU: 10745.9, 0.00314806/step Wall: 10745.9, 0.00314806/step, 1.41715 hours remaining, 238.812500 MB of memory in use. ENERGY: 3379400 3991.6462 20476.4079 14560.6457 242.5119 -203599.6605 2651.1602 0.0000 0.0000 51815.4743 -109861.8144 297.7842 -161677.2886 -109506.0046 298.5841 14.2567 41.0269 760949.6870 -11.1835 -11.2621 PRESSURE: 3379600 -149.742 -33.8344 -43.8655 -33.834 -53.1506 -192.742 -43.865 -192.743 -191.491 GPRESSURE: 3379600 -174.587 -69.0139 -45.7395 93.2264 -69.5663 -170.511 25.4801 -144.31 -70.1085 PRESSAVG: 3379600 -12.3154 -55.2316 15.1882 -55.2316 15.8185 -4.39811 15.1883 -4.3981 15.8322 GPRESSAVG: 3379600 -12.8661 -56.3093 14.581 -55.0777 15.8606 -5.64328 17.599 -6.04171 16.684 TIMING: 3379600 CPU: 10746.6, 0.00316588/step Wall: 10746.6, 0.00316588/step, 1.425 hours remaining, 238.812500 MB of memory in use. ENERGY: 3379600 3978.7968 20572.8766 14571.9108 219.0859 -203112.5394 2205.8281 0.0000 0.0000 51754.9404 -109809.1009 297.4364 -161564.0413 -109441.6081 298.5583 -131.4610 -104.7541 760669.4813 6.4451 6.5595 PRESSURE: 3379800 -245.524 -39.6362 -88.9312 -39.6369 -382.255 59.8546 -88.9307 59.854 -8.90891 GPRESSURE: 3379800 -201.293 -48.0987 -115.002 56.0811 -435.692 203.501 82.283 140.711 84.5945 PRESSAVG: 3379800 1.97248 -31.1221 -11.8685 -31.1221 -52.769 -25.7368 -11.8686 -25.7368 -3.09422 GPRESSAVG: 3379800 1.74298 -31.9463 -11.6505 -30.1404 -52.2564 -24.3639 -12.3883 -24.446 -2.756 TIMING: 3379800 CPU: 10747.2, 0.00315397/step Wall: 10747.2, 0.00315397/step, 1.41946 hours remaining, 238.812500 MB of memory in use. ENERGY: 3379800 4047.2198 20560.4074 14397.0051 251.5695 -203457.6717 2401.2236 0.0000 0.0000 51955.3102 -109844.9362 298.5879 -161800.2464 -109471.1906 298.5406 -212.2294 -184.1303 760638.6288 -17.9636 -17.7565 PRESSURE: 3380000 7.13286 -118.731 116.403 -118.731 11.6106 -191.328 116.402 -191.327 -56.6441 GPRESSURE: 3380000 32.3259 -152.48 40.3689 -62.5924 58.863 -81.2553 117.647 -235 -61.457 PRESSAVG: 3380000 17.0672 -50.6153 -26.827 -50.6153 4.58433 -23.7451 -26.827 -23.745 -6.37889 GPRESSAVG: 3380000 16.2478 -51.7977 -26.8565 -49.8755 5.7057 -24.1714 -27.1909 -25.1048 -6.76171 TIMING: 3380000 CPU: 10747.8, 0.0031671/step Wall: 10747.8, 0.0031671/step, 1.4252 hours remaining, 238.812500 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: 3380000 3954.0118 20625.4407 14453.1686 230.6272 -203726.0853 2618.7354 0.0000 0.0000 52036.4323 -109807.6693 299.0541 -161844.1016 -109448.9669 298.8568 -12.6336 9.9106 760756.9511 5.0909 5.0639 PRESSURE: 3380200 -110.064 -41.0034 73.3578 -41.003 -157.32 60.3946 73.3575 60.3934 -152.715 GPRESSURE: 3380200 -44.7074 -17.0195 67.3187 -5.96327 -159.965 -22.6514 198.53 39.7248 -131.698 PRESSAVG: 3380200 -81 -57.2682 -15.4624 -57.2682 36.0668 -9.49903 -15.4624 -9.4989 4.20725 GPRESSAVG: 3380200 -78.6679 -55.5091 -15.3488 -57.915 34.9748 -9.99463 -17.5624 -8.16319 3.05172 TIMING: 3380200 CPU: 10748.5, 0.00314273/step Wall: 10748.5, 0.00314273/step, 1.41405 hours remaining, 238.812500 MB of memory in use. ENERGY: 3380200 3949.0204 20514.5458 14470.2673 261.1287 -203458.5117 2576.4933 0.0000 0.0000 51882.0667 -109804.9895 298.1670 -161687.0562 -109440.1479 298.3548 -140.0330 -112.1237 761233.9748 -13.5753 -13.5471 LDB: ============= START OF LOAD BALANCING ============== 10760.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10760.9 LDB: =============== DONE WITH MIGRATION ================ 10760.9 LDB: ============= START OF LOAD BALANCING ============== 10761.2 LDB: Largest compute 7070 load 0.037458 is 19.2% of average load 0.195389 LDB: Average compute 0.004382 is 2.2% of average load 0.195389 LDB: TIME 10761.2 LOAD: AVG 0.195389 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 10761.2 LOAD: AVG 0.195389 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: TIME 10761.2 LOAD: AVG 0.195389 MAX 0.215338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: ============== END OF LOAD BALANCING =============== 10761.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10761.2 PRESSURE: 3380400 247.222 -68.7124 90.6412 -68.7123 257.929 110.678 90.6406 110.678 317.935 GPRESSURE: 3380400 273.255 -72.3124 18.8026 -140.974 294.455 33.2116 307.947 119.189 332.094 PRESSAVG: 3380400 -30.5076 -54.9629 0.486656 -54.9629 57.5617 1.77436 0.486702 1.77437 -8.67034 GPRESSAVG: 3380400 -31.7831 -55.6274 1.09971 -54.5593 57.939 1.37145 2.26853 2.27615 -7.37685 TIMING: 3380400 CPU: 10749.1, 0.00321846/step Wall: 10749.1, 0.00321846/step, 1.44795 hours remaining, 240.808594 MB of memory in use. ENERGY: 3380400 3985.9468 20478.4290 14475.2176 237.6416 -203629.3666 2904.4808 0.0000 0.0000 51868.9652 -109678.6856 298.0917 -161547.6507 -109319.2490 298.6006 274.3622 299.9342 760301.4206 6.1279 6.2597 PRESSURE: 3380600 -125.959 -285.09 29.2335 -285.091 174.763 -90.7691 29.2339 -90.7692 152.752 GPRESSURE: 3380600 -68.4068 -205.036 24.493 -212.333 187.278 -115.194 -95.8725 4.94836 173.815 PRESSAVG: 3380600 -16.0152 -78.9047 1.09987 -78.9047 1.24341 10.5524 1.09989 10.5523 -8.26423 GPRESSAVG: 3380600 -16.3459 -77.1721 -0.185647 -81.4584 2.0414 10.1834 -0.15881 11.365 -8.5641 TIMING: 3380600 CPU: 10749.7, 0.00316231/step Wall: 10749.7, 0.00316231/step, 1.42251 hours remaining, 240.878906 MB of memory in use. ENERGY: 3380600 4037.1053 20622.4545 14465.0997 234.1762 -203132.9721 2426.5579 0.0000 0.0000 51855.9577 -109491.6209 298.0169 -161347.5786 -109129.5107 298.9939 67.1855 97.5620 759970.6040 -7.6787 -7.6229 PRESSURE: 3380800 -168.773 -162.146 -84.8796 -162.145 -249.238 -71.8369 -84.8796 -71.8376 -289.017 GPRESSURE: 3380800 -145.579 -203.239 -83.3715 -195.112 -231.495 -29.3188 94.5971 -70.0214 -243.87 PRESSAVG: 3380800 -17.6454 -79.4631 38.8063 -79.4632 15.9046 -71.7915 38.8063 -71.7915 6.49473 GPRESSAVG: 3380800 -17.2349 -78.4413 37.3917 -80.3274 14.7589 -70.7991 39.4827 -69.8964 7.06172 TIMING: 3380800 CPU: 10750.4, 0.00315806/step Wall: 10750.4, 0.00315806/step, 1.42042 hours remaining, 240.878906 MB of memory in use. ENERGY: 3380800 4038.4588 20629.1507 14576.9338 250.1118 -203255.3123 2348.4450 0.0000 0.0000 51926.2306 -109485.9817 298.4208 -161412.2123 -109133.8437 299.4900 -235.6763 -206.9815 761837.8574 1.5846 1.5286 PRESSURE: 3381000 -54.3685 -9.11125 -80.8558 -9.11151 401.289 -256.244 -80.8557 -256.244 42.8597 GPRESSURE: 3381000 -39.389 -178.064 -47.41 86.8313 487.549 -288.921 -41.0079 -375.308 42.1946 PRESSAVG: 3381000 -0.598047 3.73439 4.30483 3.73442 23.1619 -52.0866 4.30484 -52.0866 -17.6138 GPRESSAVG: 3381000 -0.810352 2.07577 6.25746 4.77573 23.2273 -52.4299 4.58405 -52.9328 -17.5946 TIMING: 3381000 CPU: 10751, 0.00314757/step Wall: 10751, 0.00314757/step, 1.41553 hours remaining, 240.878906 MB of memory in use. ENERGY: 3381000 3981.9936 20502.9985 14444.0342 245.0093 -202897.7503 2290.7791 0.0000 0.0000 51872.9215 -109560.0141 298.1144 -161432.9356 -109191.1687 299.2348 129.9266 163.4514 761015.2097 1.6500 1.6074 PRESSURE: 3381200 -122.161 224.463 -94.5835 224.463 -200.051 -119.542 -94.5827 -119.541 -395.4 GPRESSURE: 3381200 -166.522 224.999 -175.588 205.688 -197.354 -116.592 -174.175 -224.315 -262.188 PRESSAVG: 3381200 -116.974 -47.9911 -74.0447 -47.9911 96.4178 -24.489 -74.0448 -24.4888 -5.95151 GPRESSAVG: 3381200 -115.999 -47.1324 -74.5154 -49.1604 95.9745 -22.7057 -74.2877 -25.9103 -6.6135 TIMING: 3381200 CPU: 10751.6, 0.00312043/step Wall: 10751.6, 0.00312043/step, 1.40316 hours remaining, 240.878906 MB of memory in use. ENERGY: 3381200 3953.8519 20684.0906 14494.3190 255.2169 -203114.2300 2394.3643 0.0000 0.0000 51792.2796 -109540.1078 297.6509 -161332.3874 -109170.8479 298.9603 -239.2039 -208.6883 760359.9421 -8.8358 -8.8795 PRESSURE: 3381400 -55.5168 -9.27096 45.1142 -9.27073 126.535 89.2912 45.1144 89.2917 430.401 GPRESSURE: 3381400 -85.4561 3.23327 37.5948 18.6158 198.026 138.433 85.803 204.784 467.052 PRESSAVG: 3381400 -49.5912 12.0837 2.22978 12.0836 5.76651 -32.2528 2.22979 -32.2528 -3.06441 GPRESSAVG: 3381400 -51.46 10.6527 1.7671 15.0219 7.00004 -33.3893 2.44942 -31.1963 -2.45218 TIMING: 3381400 CPU: 10752.2, 0.00315324/step Wall: 10752.2, 0.00315324/step, 1.41773 hours remaining, 240.878906 MB of memory in use. ENERGY: 3381400 3979.7469 20517.2925 14409.2130 236.3566 -203082.7694 2520.0150 0.0000 0.0000 51940.3458 -109479.7996 298.5019 -161420.1454 -109120.1275 298.8559 167.1398 193.2073 760533.2240 -15.6297 -15.6374 PRESSURE: 3381600 -107.658 -154.036 -134.946 -154.036 6.9724 -0.198012 -134.946 -0.198517 -193.35 GPRESSURE: 3381600 -89.3506 -134.385 -135.917 -86.48 99.0636 -40.3602 -143.183 -76.2229 -209.54 PRESSAVG: 3381600 -58.694 -18.2303 -2.972 -18.2302 70.4338 2.55443 -2.972 2.55444 17.6014 GPRESSAVG: 3381600 -57.041 -19.1433 -1.90158 -19.4146 69.381 2.18215 0.245613 0.440976 16.8837 TIMING: 3381600 CPU: 10752.9, 0.00313849/step Wall: 10752.9, 0.00313849/step, 1.41092 hours remaining, 240.878906 MB of memory in use. ENERGY: 3381600 4053.3991 20530.9848 14465.9614 243.5914 -203398.3079 2665.1668 0.0000 0.0000 52021.0414 -109418.1629 298.9656 -161439.2044 -109058.3027 299.2683 -98.0120 -66.6089 760433.5255 9.7804 9.7412 PRESSURE: 3381800 -82.5526 -236.325 115.321 -236.325 -207.142 -311.839 115.322 -311.838 -335.826 GPRESSURE: 3381800 -7.85596 -100.24 154.229 -267.236 -235.376 -306.235 -53.0818 -192.416 -299.473 PRESSAVG: 3381800 -13.1149 -28.9923 -67.5575 -28.9923 53.7841 -94.8383 -67.5575 -94.8384 -20.7077 GPRESSAVG: 3381800 -14.5854 -28.4267 -68.5959 -29.2264 54.7195 -92.8131 -70.727 -93.9969 -19.9454 TIMING: 3381800 CPU: 10753.5, 0.00314082/step Wall: 10753.5, 0.00314082/step, 1.4118 hours remaining, 240.878906 MB of memory in use. ENERGY: 3381800 4004.9153 20532.4355 14473.9359 264.6291 -202901.3688 2138.7189 0.0000 0.0000 52165.6196 -109321.1145 299.7965 -161486.7341 -108956.8231 299.3606 -208.5068 -180.9018 760966.7923 6.6538 6.7296 PRESSURE: 3382000 31.2767 -171.768 99.1185 -171.768 -201.414 -84.0433 99.1185 -84.0435 -267.891 GPRESSURE: 3382000 15.8976 -191.089 86.6311 -203.671 -184.535 -85.9123 61.3628 -54.7555 -187.662 PRESSAVG: 3382000 -64.6466 -22.4866 10.5167 -22.4865 66.133 -30.068 10.5167 -30.0681 -7.37941 GPRESSAVG: 3382000 -64.0078 -21.3423 10.6172 -23.6765 65.8371 -31.7207 9.98983 -28.8863 -7.39014 TIMING: 3382000 CPU: 10754.1, 0.00317682/step Wall: 10754.1, 0.00317682/step, 1.4278 hours remaining, 240.878906 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: 3382000 3957.4018 20720.4196 14410.1652 257.0623 -203134.3569 2265.8540 0.0000 0.0000 52328.4610 -109194.9929 300.7324 -161523.4540 -108830.7080 300.0316 -146.0094 -118.7664 760394.5742 -1.9643 -1.8536 PRESSURE: 3382200 -74.2783 14.4733 -57.8766 14.4742 290.905 110.655 -57.8759 110.654 68.3639 GPRESSURE: 3382200 -5.52458 -65.8888 -8.6467 74.8512 299.837 8.92807 1.28159 236.088 83.7279 PRESSAVG: 3382200 -52.9665 -23.5417 -3.27596 -23.5417 40.9392 1.58686 -3.27597 1.58685 2.34437 GPRESSAVG: 3382200 -53.077 -21.1727 -1.20238 -25.1272 40.8818 1.37398 -3.75043 -0.377578 2.45235 TIMING: 3382200 CPU: 10754.8, 0.00316431/step Wall: 10754.8, 0.00316431/step, 1.422 hours remaining, 240.878906 MB of memory in use. ENERGY: 3382200 4020.9676 20690.0723 14549.6667 243.6591 -203571.6496 2760.0356 0.0000 0.0000 52058.9211 -109248.3272 299.1833 -161307.2483 -108894.8148 300.1156 94.9968 126.0135 760272.2995 -3.2277 -3.2476 PRESSURE: 3382400 -6.96102 45.0587 -329.512 45.0581 -48.8977 32.2466 -329.512 32.2471 55.3284 GPRESSURE: 3382400 19.4549 82.9778 -294.489 121.538 -84.8432 1.66889 -248.737 -35.3425 127.565 PRESSAVG: 3382400 -28.9549 45.1326 -21.5433 45.1326 38.5584 -23.5251 -21.5433 -23.5251 2.20561 GPRESSAVG: 3382400 -29.6185 41.0166 -23.1786 49.001 38.2491 -22.5376 -21.2579 -22.8243 3.05592 TIMING: 3382400 CPU: 10755.4, 0.0031443/step Wall: 10755.4, 0.0031443/step, 1.41284 hours remaining, 240.878906 MB of memory in use. ENERGY: 3382400 3966.9905 20594.7072 14473.6028 252.2541 -203189.8761 2360.5083 0.0000 0.0000 52246.5319 -109295.2812 300.2615 -161541.8131 -108937.5080 300.1731 -0.1768 20.7256 762235.9293 3.9364 3.8955 PRESSURE: 3382600 -553.402 -42.9944 -97.2601 -42.9932 -190.394 -13.7039 -97.2597 -13.7036 -174.048 GPRESSURE: 3382600 -504.508 -43.795 -81.2386 37.493 -213.459 8.50309 -187.594 9.95333 -104.081 PRESSAVG: 3382600 -0.718621 17.7301 6.77854 17.7301 54.5778 -4.88143 6.7786 -4.88136 -26.3735 GPRESSAVG: 3382600 1.08438 19.1558 7.14077 18.4793 53.697 -5.8015 8.88483 -4.78076 -27.4285 TIMING: 3382600 CPU: 10756, 0.00315479/step Wall: 10756, 0.00315479/step, 1.41738 hours remaining, 240.878906 MB of memory in use. ENERGY: 3382600 3963.5989 20497.4741 14440.9651 250.0252 -203062.4399 2167.9299 0.0000 0.0000 52312.3581 -109430.0886 300.6398 -161742.4467 -109065.0658 299.7513 -305.9480 -274.0161 761544.2682 9.1619 9.1176 PRESSURE: 3382800 -5.28772 -13.1896 208.067 -13.1901 35.76 98.4459 208.067 98.4457 197.193 GPRESSURE: 3382800 -64.404 -70.9423 163.096 -7.92779 87.1104 97.4271 221.761 1.90779 260.458 PRESSAVG: 3382800 19.8178 10.6926 -6.21993 10.6926 -29.9 -2.94583 -6.21989 -2.94583 -15.3753 GPRESSAVG: 3382800 19.5625 12.5641 -7.08572 8.7235 -29.7559 -2.85054 -7.75055 -2.00159 -16.0855 TIMING: 3382800 CPU: 10756.7, 0.00315495/step Wall: 10756.7, 0.00315495/step, 1.41727 hours remaining, 240.878906 MB of memory in use. ENERGY: 3382800 3997.9677 20630.6213 14569.9831 238.1214 -203304.0421 2433.5482 0.0000 0.0000 52042.6979 -109391.1024 299.0901 -161433.8003 -109041.5909 299.8260 75.8885 94.3880 759848.5617 -8.4858 -8.7596 PRESSURE: 3383000 -55.8295 77.5191 193.528 77.5188 129.726 -15.8941 193.528 -15.8927 -147.85 GPRESSURE: 3383000 -6.88576 145.476 244.813 105.98 134.758 16.7499 174.909 -153.152 -117.148 PRESSAVG: 3383000 56.1896 -25.0534 -1.88387 -25.0535 -24.4732 -26.8036 -1.88386 -26.8037 -8.24385 GPRESSAVG: 3383000 55.9059 -26.3387 -0.1356 -25.8209 -24.3906 -26.1371 0.43323 -27.5941 -8.32621 TIMING: 3383000 CPU: 10757.3, 0.0031598/step Wall: 10757.3, 0.0031598/step, 1.41928 hours remaining, 240.878906 MB of memory in use. ENERGY: 3383000 3978.3327 20597.8598 14481.5093 261.3344 -203352.3741 2535.5109 0.0000 0.0000 52089.5786 -109408.2484 299.3595 -161497.8269 -109049.8354 299.8252 -24.6513 3.5747 760766.7985 7.8242 7.7297 PRESSURE: 3383200 -166.109 95.221 128.784 95.2207 61.0182 82.2286 128.784 82.2288 20.5526 GPRESSURE: 3383200 -102.896 48.5468 23.6647 -7.19579 45.2827 59.0169 49.8819 124.456 69.767 PRESSAVG: 3383200 -17.5985 11.2957 8.0171 11.2957 7.0459 -36.2437 8.01711 -36.2437 -1.90839 GPRESSAVG: 3383200 -18.7464 10.7511 6.79258 9.87159 8.18208 -38.1988 6.93236 -35.2707 -1.84267 TIMING: 3383200 CPU: 10757.9, 0.00315995/step Wall: 10757.9, 0.00315995/step, 1.41917 hours remaining, 240.878906 MB of memory in use. ENERGY: 3383200 3944.8297 20590.8178 14398.1916 238.9386 -203266.5673 2482.2624 0.0000 0.0000 52504.7558 -109106.7714 301.7456 -161611.5272 -108749.9304 300.1283 -28.1794 4.0512 761132.6760 -4.1537 -4.1357 PRESSURE: 3383400 -133.17 -62.5193 -147.953 -62.519 -20.5239 -51.5075 -147.952 -51.5074 -158.207 GPRESSURE: 3383400 -72.721 14.3546 -76.7244 -22.6752 37.257 -90.1158 -90.7796 -46.694 -179.794 PRESSAVG: 3383400 -8.7044 10.9383 -17.0831 10.9384 25.3971 -13.0565 -17.083 -13.0565 -6.36575 GPRESSAVG: 3383400 -8.07984 11.4579 -17.1078 13.7571 25.0576 -11.2003 -17.386 -14.6901 -6.40754 TIMING: 3383400 CPU: 10758.6, 0.00314945/step Wall: 10758.6, 0.00314945/step, 1.41428 hours remaining, 240.878906 MB of memory in use. ENERGY: 3383400 3993.5206 20604.8216 14438.0557 268.0440 -203544.5469 2696.4669 0.0000 0.0000 52393.3159 -109150.3222 301.1051 -161543.6381 -108785.9715 300.0634 -103.9668 -71.7528 759235.5369 3.4423 3.5234 PRESSURE: 3383600 236.894 72.1126 123.444 72.1126 295.448 -26.0917 123.444 -26.0911 41.9058 GPRESSURE: 3383600 257.315 56.4264 134.508 116.452 312.577 -0.168379 -18.8194 -96.5166 77.6256 PRESSAVG: 3383600 -14.257 -83.486 -18.8618 -83.486 9.84328 6.88069 -18.8618 6.88076 -15.9663 GPRESSAVG: 3383600 -14.2662 -84.6469 -18.5091 -83.059 9.80377 6.35636 -19.1238 8.74334 -16.4902 TIMING: 3383600 CPU: 10759.2, 0.00315153/step Wall: 10759.2, 0.00315153/step, 1.41504 hours remaining, 240.878906 MB of memory in use. ENERGY: 3383600 4000.9064 20787.4624 14501.6171 243.0728 -203430.3433 2709.4363 0.0000 0.0000 52137.4833 -109050.3650 299.6348 -161187.8483 -108685.1380 299.9944 191.4160 215.8392 760138.6052 -6.7934 -6.9842 PRESSURE: 3383800 -200.105 -122.096 -286.901 -122.096 305.856 -218.056 -286.9 -218.056 376.083 GPRESSURE: 3383800 -68.4496 -4.37058 -280.315 103.999 299.806 -237.378 -240.784 -181.291 372.284 PRESSAVG: 3383800 17.4169 -20.1187 31.4296 -20.1187 -22.4884 -17.0309 31.4297 -17.0309 14.6377 GPRESSAVG: 3383800 16.2156 -17.7609 31.4007 -19.7198 -22.3496 -16.1842 32.1841 -18.5902 15.8729 TIMING: 3383800 CPU: 10759.8, 0.00311363/step Wall: 10759.8, 0.00311363/step, 1.39785 hours remaining, 240.878906 MB of memory in use. ENERGY: 3383800 3911.1987 20548.9351 14601.5065 250.8642 -203426.9671 2666.9335 0.0000 0.0000 52383.0238 -109064.5052 301.0460 -161447.5291 -108693.9800 300.5012 160.6112 201.2135 758766.1716 3.1887 3.2463 PRESSURE: 3384000 -333.426 43.0305 2.1865 43.0306 179.192 -116.838 2.18666 -116.837 262.084 GPRESSURE: 3384000 -292.086 31.7416 -42.8727 52.0226 194.588 -73.2296 -76.2886 -160.728 299.815 PRESSAVG: 3384000 -21.856 -21.3273 13.1572 -21.3273 -11.6315 12.9428 13.1572 12.9426 10.7561 GPRESSAVG: 3384000 -21.3066 -23.0605 13.2896 -22.492 -11.4711 12.318 13.1579 13.4448 9.99181 TIMING: 3384000 CPU: 10760.4, 0.00314695/step Wall: 10760.4, 0.00314695/step, 1.41263 hours remaining, 240.878906 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: 3384000 3999.4870 20448.2948 14653.2954 251.1684 -203059.9585 2317.2131 0.0000 0.0000 52382.9412 -109007.5586 301.0455 -161390.4999 -108631.2083 301.0747 35.9501 67.4392 760278.9886 -7.5772 -7.5953 PRESSURE: 3384200 -0.301899 -20.6957 181.928 -20.6953 -194.664 -152.075 181.928 -152.075 367.1 GPRESSURE: 3384200 -21.9137 -73.5584 138.107 49.4317 -127.844 -252.049 109.447 -71.3396 401.476 PRESSAVG: 3384200 11.808 -23.0287 51.1326 -23.0287 28.0899 11.8742 51.1327 11.8743 -4.30005 GPRESSAVG: 3384200 11.5704 -24.2854 51.6857 -23.1876 26.94 12.6513 50.331 11.5349 -2.87437 TIMING: 3384200 CPU: 10761.1, 0.00316287/step Wall: 10761.1, 0.00316287/step, 1.4196 hours remaining, 240.878906 MB of memory in use. ENERGY: 3384200 4074.0999 20528.5136 14542.5200 223.0069 -203332.9611 2510.0166 0.0000 0.0000 52236.5973 -109218.2069 300.2044 -161454.8042 -108852.3258 300.3327 57.3781 83.9059 761541.9461 11.8659 11.8787 LDB: ============= START OF LOAD BALANCING ============== 10773.5 LDB: ============== END OF LOAD BALANCING =============== 10773.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10773.5 LDB: ============= START OF LOAD BALANCING ============== 10773.8 LDB: Largest compute 7070 load 0.038946 is 19.9% of average load 0.195350 LDB: Average compute 0.004397 is 2.3% of average load 0.195350 LDB: TIME 10773.8 LOAD: AVG 0.19535 MAX 0.215771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 10773.8 LOAD: AVG 0.19535 MAX 0.215771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: TIME 10773.8 LOAD: AVG 0.19535 MAX 0.215771 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: ============== END OF LOAD BALANCING =============== 10773.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10773.8 PRESSURE: 3384400 -7.92658 53.4361 204.543 53.4371 76.3202 -110.22 204.543 -110.22 361.398 GPRESSURE: 3384400 37.4213 126.768 164.412 29.506 97.1116 -109.757 152.26 -107.192 379.801 PRESSAVG: 3384400 -47.6773 -45.9995 28.4645 -45.9996 -14.1466 6.49723 28.4645 6.49728 2.97866 GPRESSAVG: 3384400 -47.5928 -45.9852 28.0368 -46.8026 -13.5587 5.47232 28.2701 8.5222 1.82091 TIMING: 3384400 CPU: 10761.7, 0.00321065/step Wall: 10761.7, 0.00321065/step, 1.44087 hours remaining, 241.746094 MB of memory in use. ENERGY: 3384400 3995.8834 20679.0798 14547.1269 234.8794 -203704.1451 2846.4192 0.0000 0.0000 52144.2556 -109256.5009 299.6738 -161400.7564 -108899.7011 300.2853 143.2638 171.4445 759146.3561 -19.6151 -19.7769 PRESSURE: 3384600 62.9396 23.1273 -184.505 23.1274 -191.51 -165.251 -184.505 -165.25 -292.532 GPRESSURE: 3384600 72.4677 125.789 -132.338 52.0554 -174.276 -126.622 -180.383 -98.2946 -217.211 PRESSAVG: 3384600 6.97466 -53.5101 50.993 -53.5101 21.3711 15.8309 50.993 15.831 -5.9866 GPRESSAVG: 3384600 5.68747 -51.0174 52.6412 -52.7769 23.1673 16.4044 49.8506 15.603 -5.78107 TIMING: 3384600 CPU: 10762.3, 0.00313236/step Wall: 10762.3, 0.00313236/step, 1.40556 hours remaining, 241.890625 MB of memory in use. ENERGY: 3384600 3965.5718 20554.6676 14553.5609 251.9627 -202871.2288 2402.4864 0.0000 0.0000 52044.8232 -109098.1563 299.1023 -161142.9795 -108730.1354 300.1123 -140.3672 -106.3396 760559.6027 7.4530 7.6912 PRESSURE: 3384800 132.538 -88.1129 -222.375 -88.1123 17.6871 -18.5382 -222.374 -18.5381 63.1361 GPRESSURE: 3384800 226.514 -37.3167 -280.217 -64.4133 -16.9806 -35.0258 -133.322 -13.5176 93.3548 PRESSAVG: 3384800 38.4213 -69.6426 -38.5998 -69.6426 -11.6297 -4.31033 -38.5997 -4.31029 4.33827 GPRESSAVG: 3384800 39.5353 -72.5694 -39.9001 -68.3414 -13.4114 -4.23996 -37.1129 -3.36324 5.22415 TIMING: 3384800 CPU: 10763, 0.00310195/step Wall: 10763, 0.00310195/step, 1.39174 hours remaining, 241.890625 MB of memory in use. ENERGY: 3384800 4006.0138 20644.2716 14444.5266 230.0537 -203715.3200 2772.6518 0.0000 0.0000 52459.0632 -109158.7392 301.4830 -161617.8025 -108808.2308 300.3713 71.1203 100.9628 759304.9853 10.3766 10.4493 PRESSURE: 3385000 188.889 -48.7782 -98.9128 -48.7778 8.94901 147.262 -98.9139 147.264 25.258 GPRESSURE: 3385000 201.187 -49.0103 -102.304 -111.631 81.1235 174.69 -21.7835 51.8628 29.0672 PRESSAVG: 3385000 -54.734 -88.8754 -16.876 -88.8754 7.71417 35.9349 -16.8759 35.9348 -21.4797 GPRESSAVG: 3385000 -53.5085 -88.2546 -16.079 -89.7028 7.7871 35.8279 -16.6153 33.478 -22.7113 TIMING: 3385000 CPU: 10763.6, 0.0031383/step Wall: 10763.6, 0.0031383/step, 1.40788 hours remaining, 241.890625 MB of memory in use. ENERGY: 3385000 4031.3348 20601.3333 14491.0598 256.9632 -203627.8943 2815.0224 0.0000 0.0000 52032.5312 -109399.6497 299.0317 -161432.1809 -109031.5609 300.0167 74.3654 103.7927 761139.5472 -22.8332 -22.8109 PRESSURE: 3385200 117.805 -47.683 192.146 -47.6836 -34.8152 41.5663 192.147 41.5672 -237.05 GPRESSURE: 3385200 94.5594 -22.3293 161.966 -99.5011 1.89952 81.6231 126.514 58.0445 -197.883 PRESSAVG: 3385200 34.2625 2.18532 24.5617 2.18534 -15.5359 16.7502 24.5617 16.7502 -8.81862 GPRESSAVG: 3385200 31.7435 1.15248 23.6407 2.34982 -13.7892 16.195 24.9832 15.2225 -7.92036 TIMING: 3385200 CPU: 10764.2, 0.00315627/step Wall: 10764.2, 0.00315627/step, 1.41576 hours remaining, 241.890625 MB of memory in use. ENERGY: 3385200 4012.7927 20590.0990 14514.8039 246.8839 -203497.6180 2719.6255 0.0000 0.0000 52135.9807 -109277.4324 299.6262 -161413.4131 -108910.6757 299.9511 -51.3536 -33.8081 761594.6542 3.3027 3.3446 PRESSURE: 3385400 -33.1749 29.2284 -141.6 29.2282 -115.702 119.754 -141.599 119.755 338.191 GPRESSURE: 3385400 25.8644 58.6836 -210.708 110.825 -33.6419 103.027 -36.8943 88.9232 293.106 PRESSAVG: 3385400 53.5641 -23.9017 -27.6523 -23.9017 -79.3418 15.7418 -27.6523 15.7419 31.5284 GPRESSAVG: 3385400 55.5805 -22.5386 -29.0556 -22.8331 -80.2058 15.8338 -27.6396 17.2631 31.0424 TIMING: 3385400 CPU: 10764.8, 0.00315146/step Wall: 10764.8, 0.00315146/step, 1.41343 hours remaining, 241.890625 MB of memory in use. ENERGY: 3385400 4047.2651 20825.2176 14477.2246 243.8139 -203471.4347 2624.5902 0.0000 0.0000 52026.2236 -109227.0997 298.9954 -161253.3233 -108867.5444 299.7737 63.1048 95.1095 760138.3226 1.9169 2.1390 PRESSURE: 3385600 240.061 -36.9757 190.964 -36.9756 27.9121 203.877 190.963 203.877 -40.6325 GPRESSURE: 3385600 273.81 74.1605 194.884 -12.3165 75.2536 206.926 265.555 193.93 -18.4352 PRESSAVG: 3385600 -18.129 -42.0817 8.01293 -42.0818 12.8478 21.93 8.0129 21.93 -5.65532 GPRESSAVG: 3385600 -18.1596 -41.155 9.55245 -43.1681 12.8736 22.7032 8.07764 21.5953 -5.87578 TIMING: 3385600 CPU: 10765.5, 0.00315048/step Wall: 10765.5, 0.00315048/step, 1.41281 hours remaining, 241.890625 MB of memory in use. ENERGY: 3385600 4000.4046 20417.7235 14524.5458 241.1424 -203253.6732 2493.4874 0.0000 0.0000 52100.0533 -109476.3163 299.4197 -161576.3695 -109122.4382 299.3380 75.7801 110.2095 760035.0548 -3.6455 -3.7206 PRESSURE: 3385800 207.901 223.207 -10.0586 223.207 131.686 -239.114 -10.0584 -239.112 -5.47599 GPRESSURE: 3385800 241.575 221.905 34.6109 102.263 143.828 -340.091 -52.9118 -10.2512 30.2182 PRESSAVG: 3385800 -55.5944 -50.957 -0.507965 -50.9569 -4.16536 22.3179 -0.507938 22.3179 -29.3908 GPRESSAVG: 3385800 -56.3045 -51.4534 0.310929 -50.9377 -3.337 22.2291 -2.20421 22.4149 -29.4175 TIMING: 3385800 CPU: 10766.1, 0.00315481/step Wall: 10766.1, 0.00315481/step, 1.41458 hours remaining, 241.890625 MB of memory in use. ENERGY: 3385800 4017.2755 20682.1703 14463.4675 245.2513 -203796.9602 2827.6350 0.0000 0.0000 52134.6844 -109426.4762 299.6187 -161561.1606 -109072.1150 299.5528 111.3704 138.5405 758479.6212 -29.7168 -29.6863 PRESSURE: 3386000 322.551 -291.783 206.409 -291.783 -104.262 21.237 206.408 21.2362 -93.1668 GPRESSURE: 3386000 237.036 -313.757 106.799 -316.849 -3.31335 49.617 326.745 63.4127 -25.6592 PRESSAVG: 3386000 -38.0023 21.6525 -18.9715 21.6526 87.9962 3.89995 -18.9716 3.89999 -13.6745 GPRESSAVG: 3386000 -37.5962 21.2117 -18.9533 19.7175 87.1542 4.30382 -17.4913 4.93371 -13.72 TIMING: 3386000 CPU: 10766.7, 0.00315095/step Wall: 10766.7, 0.00315095/step, 1.41268 hours remaining, 241.890625 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: 3386000 3958.8382 20664.3371 14480.4383 239.9084 -203568.7209 2509.2692 0.0000 0.0000 52136.9831 -109578.9467 299.6320 -161715.9299 -109217.9013 300.1552 41.7074 69.3544 758386.2526 12.1065 11.9460 PRESSURE: 3386200 7.06391 17.5962 -26.2318 17.5967 -31.3527 371.552 -26.2307 371.553 -145.183 GPRESSURE: 3386200 14.1869 -39.2155 -30.354 45.0935 12.5357 430.531 62.1121 297.521 -116.503 PRESSAVG: 3386200 9.58753 -49.9766 -6.68737 -49.9767 -14.2994 28.0139 -6.68737 28.0138 -4.64051 GPRESSAVG: 3386200 9.31791 -49.1516 -6.35409 -49.0707 -14.7962 28.3052 -8.43941 28.0975 -3.7687 TIMING: 3386200 CPU: 10767.4, 0.00315376/step Wall: 10767.4, 0.00315376/step, 1.41376 hours remaining, 241.890625 MB of memory in use. ENERGY: 3386200 4009.2794 20700.2593 14536.2673 250.6582 -203888.2104 2745.9426 0.0000 0.0000 51817.0276 -109828.7760 297.7932 -161645.8037 -109467.7576 299.4035 -56.4904 -29.9269 758935.3579 -3.1174 -3.0823 PRESSURE: 3386400 170.311 -158.065 -71.5097 -158.066 -53.9621 31.7611 -71.5105 31.7608 19.0854 GPRESSURE: 3386400 178.782 -171.743 -29.087 -113.37 -10.3957 -16.0429 -24.979 59.1379 72.644 PRESSAVG: 3386400 -39.6055 -21.7239 -33.4201 -21.7239 29.8739 60.2748 -33.4201 60.2748 2.2006 GPRESSAVG: 3386400 -38.6864 -21.6219 -32.9451 -21.2935 29.4707 59.0171 -32.3275 60.4812 2.67805 TIMING: 3386400 CPU: 10768, 0.00314013/step Wall: 10768, 0.00314013/step, 1.40747 hours remaining, 241.890625 MB of memory in use. ENERGY: 3386400 3936.2391 20453.5687 14357.2380 229.4674 -203468.0237 2586.2142 0.0000 0.0000 52191.5494 -109713.7470 299.9456 -161905.2963 -109343.6762 298.8170 45.1449 80.3435 759778.7411 -2.5103 -2.1792 PRESSURE: 3386600 55.9211 -15.1123 47.7452 -15.1126 -63.7411 -184.389 47.7445 -184.389 98.2271 GPRESSURE: 3386600 113.779 -18.7999 96.6504 -0.795219 11.9918 -266.331 -109.346 26.7732 56.3116 PRESSAVG: 3386600 -18.981 -26.3569 -14.0499 -26.3569 60.794 -4.07158 -14.0498 -4.07158 -4.77799 GPRESSAVG: 3386600 -19.4154 -26.8238 -14.7157 -25.6225 61.614 -3.12996 -15.766 -4.98781 -5.35356 TIMING: 3386600 CPU: 10768.6, 0.00315365/step Wall: 10768.6, 0.00315365/step, 1.41336 hours remaining, 241.890625 MB of memory in use. ENERGY: 3386600 4002.6438 20533.1092 14392.9387 226.5604 -203632.3720 2734.8221 0.0000 0.0000 52292.4501 -109449.8476 300.5254 -161742.2977 -109088.0263 299.2583 30.1357 60.6940 759771.9123 12.3450 12.2817 PRESSURE: 3386800 -65.3451 9.63493 152.979 9.63545 331.833 -163.188 152.979 -163.187 81.1001 GPRESSURE: 3386800 -41.6679 -68.5251 68.0723 -91.9434 403.486 -179.667 254.257 -226.97 73.0497 PRESSAVG: 3386800 -9.49575 -3.17552 -1.90888 -3.17551 22.9287 -29.0343 -1.90885 -29.0342 6.24052 GPRESSAVG: 3386800 -9.07497 -3.84873 -3.92873 -4.31861 22.353 -29.2208 -0.716958 -28.4552 6.10787 TIMING: 3386800 CPU: 10769.3, 0.0031449/step Wall: 10769.3, 0.0031449/step, 1.40926 hours remaining, 241.890625 MB of memory in use. ENERGY: 3386800 3996.8526 20579.6365 14516.7592 267.5476 -203541.8760 2757.0179 0.0000 0.0000 52067.0910 -109356.9712 299.2303 -161424.0622 -109001.6458 299.2581 115.8627 144.9559 760302.0179 6.5578 6.4620 PRESSURE: 3387000 11.2874 -29.7979 -189.786 -29.7981 -140.53 95.2305 -189.786 95.2312 -17.5332 GPRESSURE: 3387000 60.5461 1.22676 -162.717 27.9961 -85.8441 74.4512 -102.64 240.245 -40.445 PRESSAVG: 3387000 -6.67029 -20.4775 30.51 -20.4775 25.5026 17.0192 30.51 17.0192 7.80662 GPRESSAVG: 3387000 -8.58241 -20.8433 31.0275 -18.9867 26.5536 16.9007 32.7374 17.3725 8.56048 TIMING: 3387000 CPU: 10769.9, 0.00315258/step Wall: 10769.9, 0.00315258/step, 1.41253 hours remaining, 241.890625 MB of memory in use. ENERGY: 3387000 4078.7412 20574.7682 14445.9157 262.7402 -203303.5230 2598.9989 0.0000 0.0000 51956.7966 -109385.5622 298.5964 -161342.3587 -109023.3210 299.2167 -48.9253 -21.9144 760846.6810 8.8796 8.8439 PRESSURE: 3387200 -165.841 -64.0031 -89.1915 -64.0038 -252.575 189.91 -89.1922 189.91 -463.882 GPRESSURE: 3387200 -205.211 -14.21 -61.414 -17.1319 -181.623 197.56 -258.704 156.375 -412.604 PRESSAVG: 3387200 41.5741 -35.8992 18.7801 -35.8992 -23.4533 36.2788 18.7801 36.2789 27.0959 GPRESSAVG: 3387200 41.7393 -33.6491 20.4081 -37.2549 -24.0615 36.86 15.7558 35.7686 27.5553 TIMING: 3387200 CPU: 10770.5, 0.00314388/step Wall: 10770.5, 0.00314388/step, 1.40846 hours remaining, 242.148438 MB of memory in use. ENERGY: 3387200 3957.9046 20648.1387 14570.3469 246.6870 -202791.8221 2033.1334 0.0000 0.0000 52069.0542 -109266.5573 299.2416 -161335.6115 -108906.8416 299.8525 -294.0994 -266.4789 760288.5891 15.0722 15.0777 PRESSURE: 3387400 265.009 -104.434 191.556 -104.435 406.387 -116.546 191.556 -116.545 218.335 GPRESSURE: 3387400 353.703 -233.133 184.645 -104.852 403 -38.2402 228.261 -195.433 225.283 PRESSAVG: 3387400 -18.4961 -20.7989 13.304 -20.7989 -5.84679 -22.8123 13.304 -22.8123 12.4373 GPRESSAVG: 3387400 -17.3667 -22.8219 11.3356 -21.4495 -6.53897 -21.8728 13.7915 -24.8106 11.5478 TIMING: 3387400 CPU: 10771.1, 0.00312968/step Wall: 10771.1, 0.00312968/step, 1.40192 hours remaining, 242.148438 MB of memory in use. ENERGY: 3387400 3937.3712 20443.6755 14504.9052 244.8965 -203216.6503 2614.0183 0.0000 0.0000 51972.3051 -109499.4785 298.6856 -161471.7836 -109141.3951 298.9588 296.5770 327.3287 761778.1746 -3.9685 -4.1193 PRESSURE: 3387600 12.7354 106.519 75.8069 106.519 107.357 -75.3877 75.8066 -75.3884 -442.659 GPRESSURE: 3387600 8.73573 0.017326 211.904 147.603 170.309 -105.977 16.0453 -24.8946 -412.466 PRESSAVG: 3387600 -18.6419 -45.1619 2.64227 -45.162 15.6612 -5.83217 2.64226 -5.83209 -6.38091 GPRESSAVG: 3387600 -17.6686 -45.1578 4.50112 -45.1935 15.4754 -7.33001 1.54481 -3.81156 -7.23381 TIMING: 3387600 CPU: 10771.8, 0.00312438/step Wall: 10771.8, 0.00312438/step, 1.39937 hours remaining, 242.148438 MB of memory in use. ENERGY: 3387600 4008.7159 20434.4767 14472.5717 249.3685 -202932.3149 2296.7049 0.0000 0.0000 52108.6084 -109361.8688 299.4689 -161470.4772 -109002.0151 299.5299 -107.5221 -77.8072 761087.4076 -3.1206 -3.1423 PRESSURE: 3387800 84.4026 -155.523 -11.5747 -155.522 19.5463 -132.046 -11.574 -132.046 -312.574 GPRESSURE: 3387800 43.2018 -118.525 60.603 -33.3424 99.3202 -232.733 70.3212 13.8247 -275.234 PRESSAVG: 3387800 26.2248 -35.8077 -0.682568 -35.8077 -49.3741 -26.1166 -0.682618 -26.1166 11.5103 GPRESSAVG: 3387800 24.5101 -34.0206 -1.08188 -34.7567 -48.1295 -26.025 -1.57825 -26.1906 11.9847 TIMING: 3387800 CPU: 10772.4, 0.00310785/step Wall: 10772.4, 0.00310785/step, 1.3918 hours remaining, 242.148438 MB of memory in use. ENERGY: 3387800 3967.0168 20605.1031 14504.8550 232.3463 -203272.3455 2597.3630 0.0000 0.0000 52020.5944 -109345.0669 298.9631 -161365.6613 -108996.6455 299.2777 -69.5415 -44.2375 761674.2198 -3.8797 -3.8782 PRESSURE: 3388000 -355.995 149.922 98.8874 149.922 -202.702 123.614 98.8866 123.615 -86.889 GPRESSURE: 3388000 -295.987 158.455 72.6226 209.217 -159.382 78.3595 153.09 18.3505 -80.4509 PRESSAVG: 3388000 17.5364 0.914127 40.7819 0.914156 0.764032 -28.3706 40.7818 -28.3706 -4.85581 GPRESSAVG: 3388000 17.2749 -1.72141 42.1652 -0.48134 0.903822 -28.3391 42.383 -28.0799 -5.09254 TIMING: 3388000 CPU: 10773, 0.00311808/step Wall: 10773, 0.00311808/step, 1.39621 hours remaining, 242.148438 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: 3388000 4055.5751 20346.1691 14541.4072 238.7867 -202763.1763 2135.8580 0.0000 0.0000 52355.7864 -109089.5939 300.8894 -161445.3803 -108726.9410 299.7434 -215.1955 -178.6066 760678.5767 4.4816 4.3621 PRESSURE: 3388200 -141.636 213.688 301.062 213.689 161.869 4.75554 301.062 4.7558 35.9816 GPRESSURE: 3388200 12.8901 180.832 311.706 103.759 155.113 -36.583 228.836 -21.4703 -13.1954 PRESSAVG: 3388200 7.13848 0.982951 80.9916 0.982934 10.7734 42.1789 80.9916 42.1789 -3.97678 GPRESSAVG: 3388200 7.46354 1.68771 79.7011 1.53168 10.4349 41.7573 80.8609 42.6831 -4.58385 TIMING: 3388200 CPU: 10773.6, 0.00313148/step Wall: 10773.6, 0.00313148/step, 1.40203 hours remaining, 242.148438 MB of memory in use. ENERGY: 3388200 3917.6413 20367.6198 14528.3369 254.2770 -203047.1184 2543.5552 0.0000 0.0000 52308.2473 -109127.4410 300.6162 -161435.6882 -108769.0435 299.8727 18.7384 51.6027 760887.9954 4.6450 4.4382 LDB: ============= START OF LOAD BALANCING ============== 10786.1 LDB: ============== END OF LOAD BALANCING =============== 10786.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10786.1 LDB: ============= START OF LOAD BALANCING ============== 10786.4 LDB: Largest compute 7070 load 0.034644 is 17.7% of average load 0.195381 LDB: Average compute 0.004379 is 2.2% of average load 0.195381 LDB: TIME 10786.4 LOAD: AVG 0.195381 MAX 0.216545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.211 MB LDB: TIME 10786.4 LOAD: AVG 0.195381 MAX 0.216545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.281 MB LDB: TIME 10786.4 LOAD: AVG 0.195381 MAX 0.216545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.281 MB LDB: ============== END OF LOAD BALANCING =============== 10786.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10786.4 PRESSURE: 3388400 -67.8163 -34.6546 56.5615 -34.655 118.579 73.0445 56.5613 73.0451 83.981 GPRESSURE: 3388400 8.92819 -11.1629 54.8083 -18.0557 198.193 180.605 33.2711 81.9934 29.4153 PRESSAVG: 3388400 21.5193 10.8768 29.0076 10.8768 -45.1942 -53.8426 29.0076 -53.8427 7.99273 GPRESSAVG: 3388400 22.2325 10.6583 27.8109 12.4201 -46.1459 -53.9346 28.6066 -54.0655 8.22543 TIMING: 3388400 CPU: 10774.3, 0.00319849/step Wall: 10774.3, 0.00319849/step, 1.43186 hours remaining, 240.011719 MB of memory in use. ENERGY: 3388400 4035.0214 20452.8183 14510.6186 246.1471 -202985.1406 2425.4048 0.0000 0.0000 52107.4762 -109207.6542 299.4624 -161315.1304 -108848.6855 299.9547 44.9146 78.8454 761675.5355 -5.2274 -5.2293 PRESSURE: 3388600 202.84 123.134 -296.168 123.135 25.1949 -102.761 -296.167 -102.761 -32.9727 GPRESSURE: 3388600 171.148 96.0054 -275.675 150.803 106.688 -93.6674 -296.316 -179.38 -0.490588 PRESSAVG: 3388600 -46.1343 34.3826 7.04777 34.3826 29.8155 71.8442 7.04778 71.8441 -10.3371 GPRESSAVG: 3388600 -47.9523 36.1057 7.88448 32.986 30.6488 72.068 8.27603 73.0129 -9.31181 TIMING: 3388600 CPU: 10774.9, 0.00314316/step Wall: 10774.9, 0.00314316/step, 1.40692 hours remaining, 240.011719 MB of memory in use. ENERGY: 3388600 4030.3455 20467.8955 14502.3231 238.0786 -202715.6666 2375.0425 0.0000 0.0000 51733.4398 -109368.5417 297.3128 -161101.9814 -109009.2254 299.4067 65.0206 92.4485 759776.0559 -8.8853 -8.8718 PRESSURE: 3388800 -229.288 83.8835 -137.213 83.8835 -116.273 -77.9958 -137.214 -77.9975 11.1632 GPRESSURE: 3388800 -154.538 72.8472 -144.942 35.8378 -79.303 -111.743 -76.1755 -130.898 -5.75319 PRESSAVG: 3388800 56.9253 -35.5983 -31.587 -35.5983 -4.21576 49.9038 -31.587 49.9038 27.8825 GPRESSAVG: 3388800 57.8878 -36.2519 -30.4371 -35.604 -4.56702 49.2723 -34.1398 47.0624 27.4744 TIMING: 3388800 CPU: 10775.5, 0.00314884/step Wall: 10775.5, 0.00314884/step, 1.40928 hours remaining, 240.011719 MB of memory in use. ENERGY: 3388800 3998.1216 20415.0693 14477.9679 244.4095 -203094.1502 2354.3946 0.0000 0.0000 51980.8461 -109623.3411 298.7346 -161604.1872 -109265.2756 298.8967 -111.4659 -79.8647 759829.5070 26.8640 26.9317 PRESSURE: 3389000 -4.96437 -18.5076 117.286 -18.5075 -124.443 -78.8221 117.286 -78.8225 -473.206 GPRESSURE: 3389000 35.2411 -58.6881 99.2122 -34.1291 -121.945 -73.392 42.1507 -146.893 -422.418 PRESSAVG: 3389000 -15.0039 49.6886 -18.2659 49.6885 17.3377 40.1377 -18.2659 40.1378 -10.8805 GPRESSAVG: 3389000 -15.3678 50.2256 -20.0452 49.1653 17.3442 40.0003 -16.6652 39.5731 -10.5687 TIMING: 3389000 CPU: 10776.2, 0.00311916/step Wall: 10776.2, 0.00311916/step, 1.39583 hours remaining, 240.011719 MB of memory in use. ENERGY: 3389000 3999.3571 20440.1144 14501.0224 239.2049 -203480.1546 2500.0638 0.0000 0.0000 52073.4027 -109726.9893 299.2666 -161800.3920 -109373.3122 298.4943 -200.8710 -169.7071 759221.1670 -2.8489 -2.8641 PRESSURE: 3389200 167.785 26.439 -149.957 26.4378 -57.5632 133.368 -149.957 133.368 -340.127 GPRESSURE: 3389200 136.211 21.0901 -132.684 29.1246 -37.4334 141.344 -193.42 112.073 -212.189 PRESSAVG: 3389200 44.5854 -13.445 -11.8812 -13.445 -35.7025 53.6106 -11.8812 53.6107 -22.2043 GPRESSAVG: 3389200 44.8373 -13.8147 -10.857 -13.836 -36.0426 53.6936 -13.4509 54.8523 -22.2641 TIMING: 3389200 CPU: 10776.8, 0.00312411/step Wall: 10776.8, 0.00312412/step, 1.39787 hours remaining, 240.011719 MB of memory in use. ENERGY: 3389200 3912.8652 20562.6947 14478.0847 244.1091 -203002.0183 2072.0928 0.0000 0.0000 52050.7447 -109681.4270 299.1363 -161732.1717 -109310.5032 299.3927 -76.6350 -37.8037 758959.7225 -4.4405 -4.4898 PRESSURE: 3389400 -209.257 -104.531 -115.999 -104.531 -239.265 228.356 -115.999 228.357 -155.655 GPRESSURE: 3389400 -160.298 -88.4922 -18.0854 -151.551 -178.91 284.388 -12.8763 263.39 -169.024 PRESSAVG: 3389400 24.8694 13.4922 -40.7753 13.4922 -28.1215 42.1821 -40.7753 42.1821 27.4723 GPRESSAVG: 3389400 25.0172 12.4141 -41.0601 14.706 -27.8299 40.5045 -37.2727 43.5952 26.484 TIMING: 3389400 CPU: 10777.4, 0.00313797/step Wall: 10777.4, 0.00313797/step, 1.40389 hours remaining, 240.011719 MB of memory in use. ENERGY: 3389400 3968.2365 20482.5558 14476.9861 252.5965 -203378.3941 2251.0215 0.0000 0.0000 52308.4632 -109638.5346 300.6175 -161946.9978 -109274.8036 299.3091 -201.3925 -169.4106 758570.8019 8.0734 7.8904 PRESSURE: 3389600 -475.427 77.6514 121.068 77.6512 -151.259 -71.1041 121.068 -71.1047 -147.81 GPRESSURE: 3389600 -363.813 125.169 74.9779 141.568 -230.335 -15.1359 127.615 -3.82026 -94.2268 PRESSAVG: 3389600 19.0633 44.1358 -9.33892 44.1358 -37.1123 17.9734 -9.33889 17.9734 10.6722 GPRESSAVG: 3389600 19.6574 45.5778 -10.234 44.7913 -36.6335 19.8464 -12.6243 17.8189 9.82291 TIMING: 3389600 CPU: 10778, 0.00315405/step Wall: 10778, 0.00315405/step, 1.41091 hours remaining, 240.011719 MB of memory in use. ENERGY: 3389600 3941.2463 20487.6666 14515.3464 240.7877 -203118.4074 2278.4635 0.0000 0.0000 52120.4219 -109534.4750 299.5368 -161654.8969 -109172.2320 299.0673 -258.1655 -229.4583 759694.6015 -2.4590 -2.3844 PRESSURE: 3389800 -84.126 -204.248 -39.4944 -204.247 -172.106 52.5024 -39.4938 52.502 -130.558 GPRESSURE: 3389800 -27.2515 -300.044 -38.916 -33.0328 -132.455 10.169 122.169 8.36092 -141.578 PRESSAVG: 3389800 -9.58809 45.6569 -1.94163 45.6568 -39.1144 6.67756 -1.94156 6.67751 4.2062 GPRESSAVG: 3389800 -9.01778 46.6337 -1.58926 43.2407 -41.0701 7.01387 1.06775 6.63946 5.40392 TIMING: 3389800 CPU: 10778.7, 0.0031235/step Wall: 10778.7, 0.0031235/step, 1.39707 hours remaining, 240.011719 MB of memory in use. ENERGY: 3389800 3944.1680 20515.2831 14540.1883 239.9220 -203369.5387 2450.6389 0.0000 0.0000 52224.4081 -109454.9303 300.1344 -161679.3383 -109104.1872 299.5474 -128.9298 -100.4282 758859.5300 -14.8321 -14.8946 PRESSURE: 3390000 58.8668 -52.9759 -11.0674 -52.9765 -54.2167 108.28 -11.0681 108.279 228.825 GPRESSURE: 3390000 103.642 -67.7432 -9.7764 -87.0369 20.5695 -11.4027 54.232 94.6253 203.755 PRESSAVG: 3390000 -15.2054 -29.7335 -63.7329 -29.7336 25.5886 -30.9887 -63.7329 -30.9887 7.02494 GPRESSAVG: 3390000 -14.8467 -30.5678 -64.1005 -26.0597 26.396 -31.9968 -63.9172 -33.3967 6.30376 TIMING: 3390000 CPU: 10779.3, 0.00312022/step Wall: 10779.3, 0.00312022/step, 1.39543 hours remaining, 240.011719 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: 3390000 3951.7638 20472.8972 14448.3405 224.6140 -203164.9679 2535.6154 0.0000 0.0000 52347.9331 -109183.8040 300.8443 -161531.7370 -108818.0659 299.8471 77.8249 109.3220 758329.0908 5.8027 5.9510 PRESSURE: 3390200 -38.3538 -115.174 87.5683 -115.174 234.519 104.218 87.5682 104.219 109.262 GPRESSURE: 3390200 -31.3728 -109.265 89.9812 -149.61 260.725 54.5691 71.2227 96.9949 140.667 PRESSAVG: 3390200 3.07305 3.26846 -39.5931 3.26839 18.139 -19.5175 -39.5932 -19.5174 15.034 GPRESSAVG: 3390200 1.61448 1.61682 -38.952 1.38827 19.1371 -18.1597 -41.0279 -19.4291 15.6838 TIMING: 3390200 CPU: 10779.9, 0.00311873/step Wall: 10779.9, 0.00311873/step, 1.39459 hours remaining, 240.011719 MB of memory in use. ENERGY: 3390200 3968.4662 20536.4939 14541.5178 237.5104 -203343.0714 2544.0584 0.0000 0.0000 52201.4278 -109313.5969 300.0023 -161515.0247 -108959.2057 299.7906 101.8088 123.3398 757756.5166 12.0820 12.1451 PRESSURE: 3390400 108.988 249.558 5.84136 249.558 -155.195 46.283 5.84109 46.2821 -292.148 GPRESSURE: 3390400 117.369 220.257 24.9476 206.526 -114.916 -8.78048 -176.886 32.3721 -246.958 PRESSAVG: 3390400 -35.4309 -14.2578 -77.1901 -14.2578 -28.0852 17.3861 -77.1902 17.3861 -0.597007 GPRESSAVG: 3390400 -33.1934 -12.2767 -77.6289 -17.6814 -29.8098 16.7161 -77.9681 17.9188 -1.30973 TIMING: 3390400 CPU: 10780.5, 0.00315296/step Wall: 10780.5, 0.00315295/step, 1.40972 hours remaining, 240.011719 MB of memory in use. ENERGY: 3390400 3927.5325 20498.6362 14512.1679 240.8965 -203384.3135 2447.2159 0.0000 0.0000 52422.2582 -109335.6063 301.2714 -161757.8646 -108970.1735 299.7240 -112.7849 -81.5018 759414.9748 -21.3710 -21.4377 PRESSURE: 3390600 -419.726 -93.9838 -11.597 -93.9835 -168.272 -25.9887 -11.5976 -25.9889 -187.556 GPRESSURE: 3390600 -389.388 -51.1925 91.5724 3.28164 -106.244 -53.9265 18.2575 -33.544 -201.617 PRESSAVG: 3390600 -10.4557 -21.0561 -6.921 -21.0561 35.9329 25.3772 -6.92105 25.3772 13.6829 GPRESSAVG: 3390600 -11.6261 -21.8866 -5.7562 -16.389 36.7588 25.4347 -7.99755 26.4814 13.6053 TIMING: 3390600 CPU: 10781.2, 0.00314105/step Wall: 10781.2, 0.00314105/step, 1.40422 hours remaining, 240.011719 MB of memory in use. ENERGY: 3390600 3982.4057 20675.1699 14599.4658 219.4299 -203467.8003 2553.3597 0.0000 0.0000 51908.7820 -109529.1873 298.3205 -161437.9693 -109166.3352 299.7512 -258.5180 -232.4161 758903.2464 13.0534 12.9127 PRESSURE: 3390800 265.159 98.7604 -92.234 98.7601 -20.192 -58.772 -92.2337 -58.7716 -167.71 GPRESSURE: 3390800 341.987 188.437 -109.365 118.879 -42.6834 -82.0903 -65.8053 -110.816 -133.83 PRESSAVG: 3390800 14.7903 17.5839 20.4217 17.5839 6.66375 5.67064 20.4217 5.67073 14.8707 GPRESSAVG: 3390800 14.8367 18.0805 19.2669 14.6063 6.1903 7.30204 23.3488 4.1255 15.5197 TIMING: 3390800 CPU: 10781.8, 0.00314482/step Wall: 10781.8, 0.00314482/step, 1.40573 hours remaining, 240.011719 MB of memory in use. ENERGY: 3390800 3977.7017 20629.8787 14489.1011 243.3196 -203428.5692 2460.2831 0.0000 0.0000 51967.5707 -109660.7143 298.6583 -161628.2850 -109309.4775 299.2963 25.7522 55.1578 759831.2850 12.1082 12.1822 PRESSURE: 3391000 205.149 84.5389 206.518 84.5394 38.0594 193.747 206.518 193.747 -158.562 GPRESSURE: 3391000 193.574 42.2679 270.75 82.0765 44.3234 68.2414 150.154 174.787 -63.1784 PRESSAVG: 3391000 -11.22 -32.8575 -8.90978 -32.8575 54.3036 -17.8794 -8.90979 -17.8794 3.96166 GPRESSAVG: 3391000 -11.5556 -32.9522 -10.6277 -32.3766 55.3276 -19.5093 -8.56844 -17.3345 3.37623 TIMING: 3391000 CPU: 10782.4, 0.00312394/step Wall: 10782.4, 0.00312394/step, 1.39623 hours remaining, 240.011719 MB of memory in use. ENERGY: 3391000 3952.9835 20577.6611 14469.9170 253.6278 -203620.3071 2650.3206 0.0000 0.0000 51865.8651 -109849.9321 298.0738 -161715.7972 -109493.4294 299.1058 28.2152 58.2396 759087.7871 15.6818 15.7161 PRESSURE: 3391200 163.293 247.359 -7.72288 247.359 -70.8162 -178.914 -7.72228 -178.914 -122.698 GPRESSURE: 3391200 225.716 152.646 48.4688 272.569 -28.3011 -92.3614 -126.051 -297.462 -146.75 PRESSAVG: 3391200 -33.4993 25.6623 25.8211 25.6622 46.6148 58.7504 25.8212 58.7504 19.8744 GPRESSAVG: 3391200 -32.6011 27.14 27.5224 24.401 45.3139 58.6969 24.573 59.877 20.1926 TIMING: 3391200 CPU: 10783.1, 0.00313362/step Wall: 10783.1, 0.00313362/step, 1.40038 hours remaining, 240.011719 MB of memory in use. ENERGY: 3391200 3985.5649 20639.9436 14546.7365 256.5576 -203835.3519 2768.4041 0.0000 0.0000 51763.0254 -109875.1197 297.4828 -161638.1451 -109519.5931 298.5682 -10.0738 16.8883 760240.5809 10.9966 10.9685 PRESSURE: 3391400 151.782 -24.9409 -116.314 -24.9414 15.142 -94.6508 -116.314 -94.6509 -441.381 GPRESSURE: 3391400 97.1474 -104.808 -60.7431 -74.7032 102.028 -61.1884 -41.701 -85.8222 -399.569 PRESSAVG: 3391400 3.14014 25.9295 -26.1964 25.9296 16.5488 27.1306 -26.1965 27.1306 13.4065 GPRESSAVG: 3391400 3.29754 25.1001 -26.4007 27.3945 15.6735 26.9998 -25.7866 25.8982 14.1693 TIMING: 3391400 CPU: 10783.7, 0.00316341/step Wall: 10783.7, 0.00316341/step, 1.41352 hours remaining, 240.011719 MB of memory in use. ENERGY: 3391400 3953.8918 20531.4512 14514.1481 241.5807 -203814.5367 2833.2548 0.0000 0.0000 51961.6787 -109778.5315 298.6245 -161740.2102 -109419.3498 298.5110 -91.4856 -66.7980 758830.8533 11.0318 11.0468 PRESSURE: 3391600 -6.95591 -56.6766 40.1166 -56.6764 -215.019 -81.8423 40.1167 -81.8418 -184.041 GPRESSURE: 3391600 1.36487 -84.4475 71.5604 -65.8212 -115.185 -74.5447 36.0995 -67.4164 -208.144 PRESSAVG: 3391600 -36.4089 4.10296 41.8207 4.10294 25.7122 -46.8156 41.8206 -46.8156 -7.64354 GPRESSAVG: 3391600 -37.7508 5.02057 40.5105 4.47777 27.2611 -46.0126 43.0486 -48.2959 -8.1639 TIMING: 3391600 CPU: 10784.3, 0.00315307/step Wall: 10784.3, 0.00315307/step, 1.40872 hours remaining, 240.011719 MB of memory in use. ENERGY: 3391600 3892.6619 20474.0987 14548.7495 251.4742 -203138.5637 2478.8561 0.0000 0.0000 51763.3253 -109729.3980 297.4845 -161492.7233 -109363.2046 298.2534 -135.3387 -107.3214 761831.7658 -6.1134 -6.2179 PRESSURE: 3391800 -400.553 118.942 144.807 118.941 -43.2037 202.918 144.807 202.918 111.388 GPRESSURE: 3391800 -337.398 126.738 98.0296 18.5187 -49.2117 252.582 114.13 143.305 135.328 PRESSAVG: 3391800 -23.3216 -29.9621 -24.0508 -29.9621 22.376 33.6255 -24.0508 33.6255 1.37168 GPRESSAVG: 3391800 -22.271 -30.3734 -24.2014 -30.8552 22.942 33.7463 -25.5694 35.155 0.858276 TIMING: 3391800 CPU: 10785, 0.00317928/step Wall: 10785, 0.00317928/step, 1.42026 hours remaining, 240.011719 MB of memory in use. ENERGY: 3391800 3941.1798 20463.6650 14549.6224 248.3065 -203099.2374 2505.0851 0.0000 0.0000 51682.1197 -109709.2588 297.0179 -161391.3785 -109353.0077 298.2325 -110.7894 -83.7607 761365.3457 0.1420 0.5098 PRESSURE: 3392000 -174.97 54.7388 58.7899 54.739 -271.73 11.1931 58.7899 11.1935 -246.783 GPRESSURE: 3392000 -71.4594 114.982 29.6521 21.2094 -259.94 83.9086 144.141 -137.787 -288.274 PRESSAVG: 3392000 -69.0798 -12.1657 -1.69308 -12.1656 19.3651 21.6241 -1.69312 21.6242 1.26918 GPRESSAVG: 3392000 -68.4945 -13.4628 -2.12109 -11.208 18.623 20.781 -1.26963 19.8839 0.623031 TIMING: 3392000 CPU: 10785.6, 0.00313889/step Wall: 10785.6, 0.00313889/step, 1.40204 hours remaining, 240.011719 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: 3392000 3866.9411 20269.5918 14512.7568 275.1506 -202761.3011 2006.7896 0.0000 0.0000 52183.5426 -109646.5286 299.8995 -161830.0712 -109284.4313 299.0626 -231.1611 -206.5576 761632.0070 -16.1485 -16.4162 PRESSURE: 3392200 -22.7355 60.4762 -177.105 60.4759 26.9825 -119.694 -177.106 -119.694 -12.6784 GPRESSURE: 3392200 54.0602 97.7483 -266.026 83.2596 -11.6229 -222.967 -94.007 27.6267 51.2514 PRESSAVG: 3392200 4.39006 9.78969 10.745 9.78973 1.09641 -25.5414 10.7449 -25.5413 8.8414 GPRESSAVG: 3392200 4.5036 11.1074 13.6786 8.89928 0.691764 -27.18 10.1225 -23.2339 9.89372 TIMING: 3392200 CPU: 10786.2, 0.00313829/step Wall: 10786.2, 0.00313829/step, 1.40159 hours remaining, 240.011719 MB of memory in use. ENERGY: 3392200 3960.4121 20381.9752 14568.3824 248.9472 -203644.3990 2992.4627 0.0000 0.0000 51939.6239 -109552.5955 298.4977 -161492.2194 -109189.4232 298.7549 -2.8105 31.2296 760319.9323 4.7760 5.0297 LDB: ============= START OF LOAD BALANCING ============== 10798.7 LDB: ============== END OF LOAD BALANCING =============== 10798.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10798.7 LDB: ============= START OF LOAD BALANCING ============== 10799 LDB: Largest compute 7070 load 0.034165 is 17.5% of average load 0.195444 LDB: Average compute 0.004363 is 2.2% of average load 0.195444 LDB: TIME 10799 LOAD: AVG 0.195444 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.812 MB LDB: TIME 10799 LOAD: AVG 0.195444 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: TIME 10799 LOAD: AVG 0.195444 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.812 MB LDB: ============== END OF LOAD BALANCING =============== 10799 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10799 PRESSURE: 3392400 44.2664 58.8684 135.569 58.8689 45.7917 163.562 135.568 163.56 -135.57 GPRESSURE: 3392400 77.8407 -1.34563 109.842 30.4836 100.757 199.532 88.7714 117.7 -151.221 PRESSAVG: 3392400 24.874 -15.9859 -21.4493 -15.9859 -2.99613 -10.667 -21.4493 -10.667 6.17091 GPRESSAVG: 3392400 25.4489 -17.1813 -23.5767 -15.4844 -2.83874 -8.44954 -22.6043 -11.4681 5.88705 TIMING: 3392400 CPU: 10786.9, 0.00321221/step Wall: 10786.9, 0.00321221/step, 1.43443 hours remaining, 240.347656 MB of memory in use. ENERGY: 3392400 3906.2466 20536.1005 14574.1886 212.8909 -203273.7907 2147.1529 0.0000 0.0000 52322.5438 -109574.6675 300.6984 -161897.2113 -109215.0156 299.5915 -15.1706 9.1257 758288.2856 9.3496 9.4991 PRESSURE: 3392600 59.6753 -44.452 19.641 -44.4518 110.943 -280.956 19.6416 -280.957 186.958 GPRESSURE: 3392600 -5.77272 23.9809 -17.6185 35.5262 175.908 -293.493 22.3568 -235.647 262.008 PRESSAVG: 3392600 -50.021 -22.6402 16.4635 -22.6401 50.2522 10.5645 16.4635 10.5646 16.2351 GPRESSAVG: 3392600 -51.0682 -20.2002 17.4281 -24.2159 51.8084 9.14828 19.1647 10.9567 16.2201 TIMING: 3392600 CPU: 10787.5, 0.00315331/step Wall: 10787.5, 0.00315331/step, 1.40795 hours remaining, 240.550781 MB of memory in use. ENERGY: 3392600 3865.0856 20410.0362 14571.7428 270.1767 -203509.1990 2656.8391 0.0000 0.0000 52281.1998 -109454.1189 300.4608 -161735.3187 -109086.3984 299.4125 119.1921 144.0474 760940.8507 5.4888 5.6534 PRESSURE: 3392800 -275.296 137.077 -20.1356 137.078 -246.42 209.162 -20.1351 209.162 -273.491 GPRESSURE: 3392800 -151.663 123.669 -33.5329 218.637 -267.907 156.095 46.0046 237.307 -295.992 PRESSAVG: 3392800 5.70684 -9.33123 22.628 -9.33119 -1.89955 37.1332 22.6279 37.1331 1.94062 GPRESSAVG: 3392800 7.41406 -11.4889 21.993 -8.05602 -4.6172 38.2928 19.5887 37.3943 3.25459 TIMING: 3392800 CPU: 10788.1, 0.00314123/step Wall: 10788.1, 0.00314123/step, 1.40239 hours remaining, 240.550781 MB of memory in use. ENERGY: 3392800 3967.1420 20472.6803 14557.3529 239.7848 -203711.0827 2681.1702 0.0000 0.0000 52109.0275 -109683.9250 299.4713 -161792.9525 -109320.8203 299.6300 -265.0688 -238.5208 762486.1380 1.9160 2.0172 PRESSURE: 3393000 6.73433 173.727 53.4895 173.728 326.851 107.538 53.4903 107.539 -148.125 GPRESSURE: 3393000 38.3417 78.3978 115.52 133.263 296.006 158.303 7.25107 54.2411 -77.349 PRESSAVG: 3393000 -9.7796 -25.1248 8.51134 -25.1248 43.5134 14.5992 8.51144 14.5993 12.5523 GPRESSAVG: 3393000 -11.0555 -24.6818 7.88231 -24.5853 45.7218 12.3359 11.8366 13.2734 11.571 TIMING: 3393000 CPU: 10788.7, 0.00314668/step Wall: 10788.7, 0.00314668/step, 1.40464 hours remaining, 240.550781 MB of memory in use. ENERGY: 3393000 4034.5088 20498.0391 14517.2878 230.7843 -203375.6577 2699.4583 0.0000 0.0000 51942.8874 -109452.6922 298.5165 -161395.5795 -109093.1997 299.3557 61.8200 85.6661 760473.9757 15.4287 15.4125 PRESSURE: 3393200 -156.03 -84.6192 194.501 -84.6193 -131.806 82.5806 194.502 82.5814 122.555 GPRESSURE: 3393200 5.11505 -68.6018 208.005 51.5051 -164.111 93.9814 101.689 177.003 96.148 PRESSAVG: 3393200 -57.3394 13.828 24.5585 13.8281 24.1348 -31.6148 24.5585 -31.6149 -16.4716 GPRESSAVG: 3393200 -55.6519 13.065 24.7791 13.165 23.3786 -29.8447 22.7797 -32.2175 -17.1656 TIMING: 3393200 CPU: 10789.4, 0.0031358/step Wall: 10789.4, 0.0031358/step, 1.39961 hours remaining, 240.550781 MB of memory in use. ENERGY: 3393200 3951.6954 20439.4432 14451.6399 229.9224 -203158.4645 2331.5069 0.0000 0.0000 52033.9908 -109720.2660 299.0401 -161754.2568 -109359.7277 299.3914 -55.0939 -20.9492 760212.8946 -16.5587 -16.4796 PRESSURE: 3393400 -161.228 -26.4968 5.90973 -26.497 -158.847 11.8115 5.90913 11.8112 -120.099 GPRESSURE: 3393400 -98.9219 -25.018 59.3034 -30.909 -142.511 9.96816 67.2736 5.96907 -116.142 PRESSAVG: 3393400 8.84374 47.1205 5.58252 47.1205 -21.6772 26.0759 5.58252 26.0759 22.1889 GPRESSAVG: 3393400 7.60244 48.6241 6.97384 48.7044 -19.4619 25.7182 5.20345 29.0778 21.4179 TIMING: 3393400 CPU: 10790, 0.00313564/step Wall: 10790, 0.00313564/step, 1.39937 hours remaining, 240.550781 MB of memory in use. ENERGY: 3393400 3918.1825 20452.0340 14516.2921 232.4144 -203016.3452 2215.0451 0.0000 0.0000 51981.4338 -109700.9434 298.7380 -161682.3772 -109349.3546 298.8569 -146.7246 -119.1916 760900.9176 3.1185 3.1862 PRESSURE: 3393600 -223.709 -53.1403 -174.261 -53.1405 -230.754 141.774 -174.26 141.774 -300.881 GPRESSURE: 3393600 -166.988 -92.4906 -173.952 -93.3323 -204.36 121.349 -250.936 96.1255 -299.077 PRESSAVG: 3393600 -51.1842 -3.93242 5.25097 -3.93254 24.5783 84.7785 5.25099 84.7785 17.5323 GPRESSAVG: 3393600 -51.132 -3.43017 4.33228 -5.31262 23.2833 83.9286 7.83007 85.2912 18.6831 TIMING: 3393600 CPU: 10790.6, 0.00312127/step Wall: 10790.6, 0.00312127/step, 1.39278 hours remaining, 240.550781 MB of memory in use. ENERGY: 3393600 3930.7711 20628.0513 14569.6977 242.7350 -203036.9910 2243.1650 0.0000 0.0000 51914.2668 -109508.3041 298.3520 -161422.5708 -109137.3722 299.1738 -251.7812 -223.4749 761374.7771 -3.0245 -3.0552 PRESSURE: 3393800 -195.27 222.351 -212.243 222.352 247.323 -164.497 -212.243 -164.497 38.351 GPRESSURE: 3393800 -91.8364 184.853 -210.468 133.893 251.926 -71.5839 -140.741 -72.4448 17.2357 PRESSAVG: 3393800 -38.6951 7.96544 -22.5836 7.9654 39.9273 -8.13173 -22.5836 -8.13176 0.153223 GPRESSAVG: 3393800 -38.1493 5.94575 -22.1835 8.78043 40.7528 -8.16993 -21.7548 -11.1984 -1.12038 TIMING: 3393800 CPU: 10791.2, 0.00312674/step Wall: 10791.2, 0.00312674/step, 1.39505 hours remaining, 240.550781 MB of memory in use. ENERGY: 3393800 4062.4002 20670.4471 14527.1636 246.2969 -203821.8626 2943.3978 0.0000 0.0000 52099.9223 -109272.2347 299.4190 -161372.1571 -108910.1119 299.3374 30.1347 59.1083 761230.9289 0.4618 0.4944 PRESSURE: 3394000 195.3 -79.4512 48.919 -79.4511 -82.4215 -98.1651 48.9187 -98.1653 210.665 GPRESSURE: 3394000 227.286 -29.4304 -3.27985 -94.8243 8.43634 -128.223 -67.7261 -39.6236 172.353 PRESSAVG: 3394000 -29.7534 4.87739 -16.5872 4.87741 46.2428 22.6927 -16.5871 22.6927 5.07214 GPRESSAVG: 3394000 -29.214 8.22616 -18.8614 3.69452 44.3998 23.494 -17.0571 23.2196 6.21553 TIMING: 3394000 CPU: 10791.9, 0.00312478/step Wall: 10791.9, 0.00312478/step, 1.394 hours remaining, 240.550781 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: 3394000 3922.1050 20662.9733 14515.2788 232.5307 -204018.8751 3112.8421 0.0000 0.0000 52196.8462 -109376.2991 299.9760 -161573.1453 -109014.1411 299.2693 107.8478 136.0250 760771.8075 7.1872 7.1338 PRESSURE: 3394200 31.9127 -20.8558 89.0999 -20.8564 -135.517 -177.585 89.1008 -177.585 -202.15 GPRESSURE: 3394200 43.9541 86.9674 43.835 -16.3143 -33.7404 -143.042 4.51237 -190.125 -257.277 PRESSAVG: 3394200 20.2482 4.70649 -4.42301 4.70646 -2.38393 0.718155 -4.42294 0.718091 -7.69707 GPRESSAVG: 3394200 19.5978 2.09558 -3.71061 6.74201 -3.11199 2.32902 -5.99442 0.136233 -6.70649 TIMING: 3394200 CPU: 10792.5, 0.00312909/step Wall: 10792.5, 0.00312909/step, 1.39575 hours remaining, 240.550781 MB of memory in use. ENERGY: 3394200 3983.4281 20443.7527 14602.6825 253.0080 -203291.0794 2414.6467 0.0000 0.0000 52199.0131 -109394.5483 299.9884 -161593.5614 -109024.7009 299.1411 -101.9181 -82.3544 761608.5018 3.3891 3.2598 PRESSURE: 3394400 159.8 20.5734 91.6697 20.5735 114.872 56.7719 91.6693 56.7709 -28.3071 GPRESSURE: 3394400 283.387 54.7305 127.804 -67.575 156.819 134.568 34.7704 50.7498 -106.302 PRESSAVG: 3394400 -61.6681 15.6194 20.6846 15.6194 43.5882 25.4083 20.6846 25.4083 14.4155 GPRESSAVG: 3394400 -61.7108 17.4368 22.6273 13.9281 43.8516 24.2597 18.6901 25.6366 14.2892 TIMING: 3394400 CPU: 10793.1, 0.00311565/step Wall: 10793.1, 0.00311565/step, 1.38958 hours remaining, 240.550781 MB of memory in use. ENERGY: 3394400 4047.1748 20603.3125 14543.1151 248.3620 -203413.7831 2569.1905 0.0000 0.0000 52143.0633 -109259.5649 299.6669 -161402.6282 -108885.5601 299.2041 82.1219 111.3011 760649.9892 -1.2215 -1.1900 PRESSURE: 3394600 407.956 -71.2135 200.807 -71.2139 109.642 411.315 200.807 411.315 59.5275 GPRESSURE: 3394600 378.745 -120.841 124.284 -120.124 141.245 429.576 246.572 319.523 155.76 PRESSAVG: 3394600 35.296 -19.4368 2.61832 -19.4368 -3.32278 44.2742 2.61836 44.2742 12.0667 GPRESSAVG: 3394600 35.5518 -21.0912 1.78638 -17.872 -2.61677 43.5193 3.66763 46.7024 10.7711 TIMING: 3394600 CPU: 10793.7, 0.00312409/step Wall: 10793.7, 0.00312409/step, 1.39317 hours remaining, 240.550781 MB of memory in use. ENERGY: 3394600 3936.1771 20727.2697 14496.9560 250.4848 -203621.3954 2847.7840 0.0000 0.0000 51867.3380 -109495.3856 298.0823 -161362.7237 -109134.5206 299.4307 192.3751 225.2500 760786.7936 14.6799 14.5687 PRESSURE: 3394800 171.373 40.8432 267.488 40.8432 4.85461 156.215 267.488 156.216 203.366 GPRESSURE: 3394800 270.006 -1.82131 309.215 16.3305 9.82409 79.7413 101.233 77.1388 187.096 PRESSAVG: 3394800 43.3876 4.50321 8.75782 4.50315 -25.3397 44.9337 8.75783 44.9338 -1.81845 GPRESSAVG: 3394800 43.0462 3.52222 9.95156 3.41826 -25.4586 44.6085 10.3946 43.0918 -1.36986 TIMING: 3394800 CPU: 10794.4, 0.00313944/step Wall: 10794.4, 0.00313944/step, 1.39984 hours remaining, 240.550781 MB of memory in use. ENERGY: 3394800 4033.9322 20453.0268 14549.0329 247.2749 -203539.2828 2667.1026 0.0000 0.0000 52128.6450 -109460.2685 299.5840 -161588.9135 -109101.2459 299.0997 126.5313 155.6421 762656.3101 5.4098 5.4059 PRESSURE: 3395000 -90.32 26.9958 279.961 26.9953 -53.8231 4.47944 279.961 4.47944 -82.5473 GPRESSURE: 3395000 -129.423 65.4388 290.119 -39.8888 27.2971 -50.8635 258.194 68.8894 -29.9379 PRESSAVG: 3395000 -8.45645 7.22034 6.87899 7.22033 3.31428 38.8399 6.87901 38.8397 14.2623 GPRESSAVG: 3395000 -9.67394 8.16859 5.39892 8.48739 3.84073 40.8643 7.18444 39.3849 14.6638 TIMING: 3395000 CPU: 10795, 0.00310801/step Wall: 10795, 0.00310801/step, 1.38565 hours remaining, 240.550781 MB of memory in use. ENERGY: 3395000 4022.1372 20415.3921 14493.1303 253.7086 -203271.0005 2562.9331 0.0000 0.0000 52021.1127 -109502.5866 298.9660 -161523.6993 -109132.2484 298.7905 -75.5635 -44.0212 761519.2224 3.0401 2.9435 PRESSURE: 3395200 67.2399 -263.526 127.897 -263.526 85.4033 143.7 127.896 143.7 -368.974 GPRESSURE: 3395200 56.5483 -188.231 162.47 -179.646 152.64 123.954 25.2942 165.981 -334.441 PRESSAVG: 3395200 -6.94734 -44.9896 7.01494 -44.9896 32.1429 11.9266 7.01496 11.9266 -17.9269 GPRESSAVG: 3395200 -7.13352 -44.215 8.55099 -45.6591 32.853 10.0218 5.68781 12.7199 -17.8135 TIMING: 3395200 CPU: 10795.6, 0.00312677/step Wall: 10795.6, 0.00312677/step, 1.39385 hours remaining, 240.550781 MB of memory in use. ENERGY: 3395200 3978.9926 20531.1650 14438.3970 228.2112 -203113.5034 2567.2866 0.0000 0.0000 51945.7597 -109423.6913 298.5330 -161369.4510 -109062.4571 299.2962 -72.1103 -41.7507 760788.2670 2.4229 2.6353 PRESSURE: 3395400 8.06874 67.5151 -45.7193 67.5152 -157.598 -113.024 -45.7188 -113.025 -53.1762 GPRESSURE: 3395400 -20.3781 51.4177 -69.1545 33.107 -82.1345 -165.365 -13.4325 -120.068 -9.41139 PRESSAVG: 3395400 -42.1381 -35.2469 -27.7452 -35.2469 -19.3976 -68.4772 -27.7453 -68.4772 -3.0575 GPRESSAVG: 3395400 -41.1477 -34.9428 -28.9942 -38.4673 -19.4967 -67.5271 -26.3815 -70.4582 -3.35964 TIMING: 3395400 CPU: 10796.2, 0.00311896/step Wall: 10796.2, 0.00311896/step, 1.39019 hours remaining, 240.550781 MB of memory in use. ENERGY: 3395400 3984.6520 20648.3873 14490.2895 246.2224 -203196.5998 2366.7957 0.0000 0.0000 52150.5170 -109309.7359 299.7097 -161460.2529 -108947.5370 299.4913 -67.5684 -37.3080 758702.1714 -21.5311 -21.3347 PRESSURE: 3395600 268.505 123.374 -149.591 123.374 318.805 -118.451 -149.591 -118.452 -5.33331 GPRESSURE: 3395600 378.441 95.5803 -130.529 171.161 344.804 -145.323 -128.995 -109.148 -67.6836 PRESSAVG: 3395600 21.0578 -35.4177 0.466132 -35.4177 10.3352 -54.3743 0.466118 -54.3744 -2.50637 GPRESSAVG: 3395600 21.0161 -36.6998 0.712291 -32.6258 9.84197 -55.1224 -0.739325 -53.9453 -2.23868 TIMING: 3395600 CPU: 10796.9, 0.00310096/step Wall: 10796.9, 0.00310096/step, 1.38199 hours remaining, 240.550781 MB of memory in use. ENERGY: 3395600 4002.7818 20708.5521 14540.2089 241.3775 -203432.1496 2689.8836 0.0000 0.0000 52005.2527 -109244.0930 298.8749 -161249.3457 -108883.0604 300.0692 193.9923 218.5205 758739.3047 9.6289 9.5398 PRESSURE: 3395800 -377.726 -296.081 220.647 -296.082 -140.911 -102.756 220.647 -102.758 -276.897 GPRESSURE: 3395800 -327.815 -312.206 196.904 -171.37 -117.931 -137.155 126.984 -101.882 -261.889 PRESSAVG: 3395800 40.6911 13.0298 21.1974 13.0299 21.8059 -27.721 21.1975 -27.721 9.47706 GPRESSAVG: 3395800 41.1235 13.9395 20.6476 11.3214 21.0063 -26.9951 20.902 -26.322 9.531 TIMING: 3395800 CPU: 10797.5, 0.00310481/step Wall: 10797.5, 0.00310481/step, 1.38354 hours remaining, 240.550781 MB of memory in use. ENERGY: 3395800 4011.1599 20757.8153 14530.4234 246.9627 -203375.8007 2461.5634 0.0000 0.0000 51972.3652 -109395.5108 298.6859 -161367.8760 -109041.8060 299.6586 -265.1778 -235.8786 760063.3541 23.9913 23.8869 PRESSURE: 3396000 -135.477 260.878 221.791 260.879 83.2387 -237.948 221.79 -237.948 -23.254 GPRESSURE: 3396000 -68.6368 155.368 194.809 287.546 55.0601 -121.808 270.349 -257.276 30.2838 PRESSAVG: 3396000 -38.5109 1.72436 33.5937 1.72437 5.8536 -71.0452 33.5937 -71.0452 13.9531 GPRESSAVG: 3396000 -39.1817 0.207509 33.7534 2.41754 6.77397 -71.4552 34.1599 -70.5642 13.8724 TIMING: 3396000 CPU: 10798.1, 0.0031262/step Wall: 10798.1, 0.0031262/step, 1.3929 hours remaining, 240.550781 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: 3396000 4024.6049 20597.7111 14449.5634 240.6026 -203332.8038 2484.4221 0.0000 0.0000 52352.0014 -109183.8982 300.8677 -161535.8996 -108821.5473 299.3686 -25.1642 5.5690 761578.9543 -6.2347 -6.1784 PRESSURE: 3396200 62.1002 124.675 -105.592 124.675 -135.991 203.223 -105.592 203.223 100.533 GPRESSURE: 3396200 116.397 23.4541 -127.275 79.9128 -127.046 264.322 -37.7996 295.576 132.576 PRESSAVG: 3396200 12.3366 -11.008 37.8927 -11.008 -18.5913 16.3334 37.8927 16.3334 -13.9683 GPRESSAVG: 3396200 13.2601 -12.4777 37.9268 -10.224 -18.9996 15.768 37.5066 16.9625 -14.5349 TIMING: 3396200 CPU: 10798.7, 0.0031285/step Wall: 10798.7, 0.00312851/step, 1.39375 hours remaining, 240.550781 MB of memory in use. ENERGY: 3396200 3939.2896 20476.3434 14526.7041 232.7152 -203688.4892 2702.6366 0.0000 0.0000 52375.2864 -109435.5138 301.0015 -161810.8002 -109073.0922 299.6638 8.8808 40.6424 760433.0020 -6.7410 -6.7581 LDB: ============= START OF LOAD BALANCING ============== 10811.2 LDB: ============== END OF LOAD BALANCING =============== 10811.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10811.2 LDB: ============= START OF LOAD BALANCING ============== 10811.5 LDB: Largest compute 7070 load 0.037831 is 19.4% of average load 0.195373 LDB: Average compute 0.004365 is 2.2% of average load 0.195373 LDB: TIME 10811.5 LOAD: AVG 0.195373 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.41 MB LDB: TIME 10811.5 LOAD: AVG 0.195373 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.414 MB LDB: TIME 10811.5 LOAD: AVG 0.195373 MAX 0.215601 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.414 MB LDB: ============== END OF LOAD BALANCING =============== 10811.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10811.5 PRESSURE: 3396400 -260.216 -104.816 -14.4163 -104.816 -9.17032 -51.2087 -14.4161 -51.209 80.9958 GPRESSURE: 3396400 -225.003 -96.6098 6.56191 12.6078 57.913 -41.8973 45.7713 90.5971 75.4401 PRESSAVG: 3396400 3.76992 -8.87795 20.9491 -8.87791 22.8025 -15.7485 20.9491 -15.7485 -6.60104 GPRESSAVG: 3396400 2.95817 -7.33607 20.6255 -9.59679 22.5881 -15.7193 22.1952 -16.4033 -6.26223 TIMING: 3396400 CPU: 10799.4, 0.00319863/step Wall: 10799.4, 0.00319863/step, 1.42481 hours remaining, 240.550781 MB of memory in use. ENERGY: 3396400 3969.3074 20598.2805 14505.1223 218.6927 -203133.3491 2351.7045 0.0000 0.0000 52213.7033 -109276.5385 300.0729 -161490.2418 -108908.0885 299.8206 -62.7967 -30.5500 759976.4483 6.6571 6.4280 PRESSURE: 3396600 -225.07 245.875 5.77631 245.874 -196.132 -143.017 5.77682 -143.017 388.1 GPRESSURE: 3396600 -174.194 300.748 11.2058 88.8026 -106.79 -171.222 -90.349 -184.877 321.41 PRESSAVG: 3396600 4.43196 20.6631 -3.33636 20.6631 -22.2253 2.60781 -3.33633 2.60781 -13.3057 GPRESSAVG: 3396600 4.51777 23.1837 -2.78619 17.6232 -22.1148 3.21986 -5.7041 2.37074 -13.9508 TIMING: 3396600 CPU: 10800, 0.00311156/step Wall: 10800, 0.00311156/step, 1.38585 hours remaining, 240.550781 MB of memory in use. ENERGY: 3396600 3874.4207 20553.7433 14528.3654 237.2196 -202879.7393 2161.5938 0.0000 0.0000 52330.5359 -109193.8606 300.7443 -161524.3965 -108828.6013 299.4311 -11.0340 13.4752 761814.8897 -10.3663 -10.5159 PRESSURE: 3396800 -148.987 111.853 -139.322 111.853 29.751 -138.866 -139.322 -138.866 5.42891 GPRESSURE: 3396800 -123.218 137.236 -140.408 28.8375 100.835 -125.547 -141.06 -218.771 -0.687684 PRESSAVG: 3396800 -11.1634 6.38672 -9.60103 6.38672 -4.05924 44.0399 -9.60104 44.04 12.8812 GPRESSAVG: 3396800 -10.7462 4.72769 -8.66941 8.04876 -3.58144 43.208 -8.46527 42.7671 12.2656 TIMING: 3396800 CPU: 10800.6, 0.00311091/step Wall: 10800.6, 0.00311091/step, 1.38539 hours remaining, 240.550781 MB of memory in use. ENERGY: 3396800 4032.4810 20404.0946 14484.1192 242.8159 -203021.7371 2496.1522 0.0000 0.0000 52042.6391 -109319.4350 299.0898 -161362.0741 -108960.6675 299.5583 -37.9355 -7.6900 762053.0954 -0.7805 -0.6873 PRESSURE: 3397000 -130.793 103.601 73.2836 103.601 -46.7199 223.153 73.2833 223.154 -276.502 GPRESSURE: 3397000 -130.596 87.6406 48.6947 54.6596 -53.4233 180.444 -79.5083 124.773 -169.08 PRESSAVG: 3397000 -63.3364 -10.1963 16.0238 -10.1963 58.1312 14.648 16.0238 14.648 22.1925 GPRESSAVG: 3397000 -63.9545 -9.38855 15.6279 -9.86987 57.8383 15.3407 16.1253 14.9517 23.522 TIMING: 3397000 CPU: 10801.2, 0.00311773/step Wall: 10801.2, 0.00311773/step, 1.38826 hours remaining, 240.550781 MB of memory in use. ENERGY: 3397000 3929.9069 20643.7868 14517.2237 257.6280 -203230.8544 2445.8919 0.0000 0.0000 52210.9183 -109225.4988 300.0569 -161436.4171 -108868.2339 299.4261 -151.3384 -117.6998 759894.3644 5.6624 5.8019 PRESSURE: 3397200 36.722 -53.0249 153.526 -53.0253 303.538 -10.4009 153.525 -10.3997 -281.002 GPRESSURE: 3397200 45.1458 21.5427 124.921 64.5264 308.262 -42.3432 209.616 54.889 -222.431 PRESSAVG: 3397200 18.0168 64.4006 2.79905 64.4007 15.974 -13.6906 2.79901 -13.6906 -20.043 GPRESSAVG: 3397200 17.3777 63.349 1.67687 62.3061 16.791 -14.3156 4.31076 -14.4432 -20.3133 TIMING: 3397200 CPU: 10801.9, 0.00312587/step Wall: 10801.9, 0.00312587/step, 1.39171 hours remaining, 240.550781 MB of memory in use. ENERGY: 3397200 4004.0205 20618.9553 14545.6096 269.7503 -203397.9650 2640.9196 0.0000 0.0000 52020.3218 -109298.3879 298.9615 -161318.7097 -108932.5096 299.5248 19.7525 43.6590 759511.8138 4.6493 4.6185 PRESSURE: 3397400 194.922 165.074 -86.1237 165.074 115.274 7.96646 -86.1237 7.9665 182.96 GPRESSURE: 3397400 245.772 174.246 -123.699 71.4732 140.487 27.4294 -155.415 46.8909 202.568 PRESSAVG: 3397400 36.3432 9.55923 23.2511 9.55925 -85.4995 19.1098 23.2511 19.1098 -10.9196 GPRESSAVG: 3397400 36.3987 10.7003 23.2428 11.9641 -86.1459 19.4735 23.4862 18.6647 -10.4411 TIMING: 3397400 CPU: 10802.5, 0.00312003/step Wall: 10802.5, 0.00312003/step, 1.38893 hours remaining, 240.550781 MB of memory in use. ENERGY: 3397400 4015.2971 20483.9315 14581.4978 242.3809 -203730.5090 2822.1750 0.0000 0.0000 52289.2864 -109295.9402 300.5072 -161585.2266 -108936.1625 299.1827 164.3854 196.2755 758623.5044 -20.0253 -20.0628 PRESSURE: 3397600 41.1093 -86.278 4.31002 -86.279 365.128 -91.1801 4.3107 -91.1805 -422.581 GPRESSURE: 3397600 90.7389 -81.5142 -58.9251 -37.7504 356.137 -99.5301 48.9139 -211.569 -377.049 PRESSAVG: 3397600 54.0199 -41.0889 -43.0193 -41.0889 -28.4762 25.4276 -43.0193 25.4276 -0.23241 GPRESSAVG: 3397600 54.7056 -40.4834 -44.163 -39.8978 -27.4028 26.3965 -41.9178 25.823 -1.78749 TIMING: 3397600 CPU: 10803.1, 0.00313366/step Wall: 10803.1, 0.00313366/step, 1.39483 hours remaining, 240.550781 MB of memory in use. ENERGY: 3397600 4044.7838 20338.3642 14479.4654 238.5043 -203321.1626 2686.3490 0.0000 0.0000 52183.0792 -109350.6167 299.8969 -161533.6959 -108988.3851 299.4527 -5.4477 23.2757 760475.1869 8.4371 8.5051 PRESSURE: 3397800 206.822 -117.519 99.8959 -117.519 -238.24 -123.907 99.8968 -123.906 122.017 GPRESSURE: 3397800 145.842 -61.11 155.162 -91.5945 -159.334 -114.319 3.69726 -209.723 179.878 PRESSAVG: 3397800 -20.1246 8.05708 -29.3096 8.05706 20.552 -49.9796 -29.3096 -49.9795 0.0480696 GPRESSAVG: 3397800 -20.5854 9.40105 -28.06 5.75965 20.1514 -51.5734 -30.2411 -48.5952 0.945946 TIMING: 3397800 CPU: 10803.7, 0.00314921/step Wall: 10803.7, 0.00314921/step, 1.40157 hours remaining, 240.550781 MB of memory in use. ENERGY: 3397800 3911.3816 20463.1298 14519.6018 267.1582 -203378.1047 2667.5272 0.0000 0.0000 52070.4697 -109478.8364 299.2497 -161549.3061 -109120.8071 299.2560 30.1996 55.4621 761381.2193 0.1585 0.1706 PRESSURE: 3398000 81.4143 -9.54819 222.756 -9.54796 -4.48423 16.0837 222.757 16.0831 -92.5573 GPRESSURE: 3398000 79.1128 -135.423 117.77 -58.404 123.803 23.2549 187.676 163.743 -130.597 PRESSAVG: 3398000 -8.97663 21.3042 -47.3705 21.3043 -12.1434 23.8705 -47.3705 23.8705 12.1249 GPRESSAVG: 3398000 -9.70305 18.2492 -48.2678 20.0406 -11.5024 25.0546 -49.1197 23.1936 12.2841 TIMING: 3398000 CPU: 10804.4, 0.00313621/step Wall: 10804.4, 0.00313621/step, 1.39561 hours remaining, 240.550781 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: 3398000 4093.5607 20527.3142 14525.5657 238.5875 -203508.1768 2784.2912 0.0000 0.0000 52029.6969 -109309.1606 299.0154 -161338.8575 -108943.0222 299.2685 -5.2091 24.1062 763095.9470 -2.9984 -2.9738 PRESSURE: 3398200 178.004 60.732 -60.2665 60.7315 254.073 232.819 -60.2669 232.818 226.457 GPRESSURE: 3398200 289.138 61.1428 -88.9791 19.8502 255.709 140.536 -26.2543 126.969 203.967 PRESSAVG: 3398200 25.6082 -5.38234 -20.0082 -5.38238 -54.3092 21.9317 -20.0081 21.9316 10.8372 GPRESSAVG: 3398200 27.0206 -4.14862 -17.4478 -4.54613 -55.5948 22.4649 -20.8009 21.3222 10.702 TIMING: 3398200 CPU: 10805, 0.00311708/step Wall: 10805, 0.00311708/step, 1.38693 hours remaining, 240.550781 MB of memory in use. ENERGY: 3398200 4006.5811 20466.2783 14531.4043 252.7470 -203813.0773 2856.8254 0.0000 0.0000 52413.6964 -109285.5448 301.2222 -161699.2411 -108915.2120 299.3848 219.5111 249.6047 760542.2370 -5.9546 -5.9574 PRESSURE: 3398400 -257.188 11.8189 15.4187 11.8191 -314.918 -260.563 15.4196 -260.563 -398.836 GPRESSURE: 3398400 -175.49 57.8796 -72.0544 201.339 -309.844 -267.162 113.941 -196.622 -398.556 PRESSAVG: 3398400 -2.98432 -3.36326 8.24316 -3.36329 41.1592 2.91716 8.2432 2.9172 -0.295747 GPRESSAVG: 3398400 -3.07515 -5.18211 7.02709 -2.01662 41.4319 1.7116 10.6643 4.36821 -0.240586 TIMING: 3398400 CPU: 10805.6, 0.00313287/step Wall: 10805.6, 0.00313287/step, 1.39378 hours remaining, 240.550781 MB of memory in use. ENERGY: 3398400 4033.5101 20510.2772 14559.2152 254.5873 -203231.7203 2382.7387 0.0000 0.0000 52131.2777 -109360.1140 299.5992 -161491.3917 -109004.3838 299.5793 -323.6474 -294.6301 760603.6887 12.6264 12.7054 PRESSURE: 3398600 -135.832 84.283 -75.1333 84.2831 -205.566 18.4837 -75.1336 18.4828 -11.9419 GPRESSURE: 3398600 -10.5273 119.502 -131.639 -7.41521 -191.426 -46.4958 -104.972 92.0965 -45.1249 PRESSAVG: 3398600 -39.4782 5.82527 39.8896 5.82521 10.4607 -22.834 39.8896 -22.834 10.8308 GPRESSAVG: 3398600 -40.1807 6.43319 39.1794 5.31763 10.8556 -24.182 38.0635 -23.605 10.7406 TIMING: 3398600 CPU: 10806.3, 0.00313085/step Wall: 10806.3, 0.00313085/step, 1.39271 hours remaining, 240.550781 MB of memory in use. ENERGY: 3398600 4056.4473 20525.2125 14424.4491 260.7888 -203074.0740 2429.5550 0.0000 0.0000 52082.9312 -109294.6901 299.3213 -161377.6213 -108931.9324 299.9236 -117.7802 -82.3593 761328.4435 -6.0622 -6.1948 PRESSURE: 3398800 -187.06 -66.9484 69.2982 -66.9473 -189.465 -205.864 69.2981 -205.863 -64.2536 GPRESSURE: 3398800 -191.045 -117.83 107.998 -0.774956 -121.737 -268.931 -5.49633 -153.902 -51.3768 PRESSAVG: 3398800 -32.1021 -12.6667 -27.1877 -12.6667 49.6246 -25.7435 -27.1878 -25.7435 -2.69027 GPRESSAVG: 3398800 -31.8327 -9.91746 -26.7357 -11.8027 49.5533 -24.9304 -26.5344 -24.08 -2.29972 TIMING: 3398800 CPU: 10806.9, 0.00312598/step Wall: 10806.9, 0.00312598/step, 1.39037 hours remaining, 240.550781 MB of memory in use. ENERGY: 3398800 4012.6686 20393.8408 14470.9189 267.9597 -203165.1606 2515.3224 0.0000 0.0000 52180.4582 -109323.9919 299.8818 -161504.4501 -108975.3622 299.7884 -146.9264 -121.3863 761022.1513 4.9441 5.1403 PRESSURE: 3399000 -89.3293 -70.4724 20.4817 -70.4728 -37.8051 -226.042 20.4818 -226.042 160.168 GPRESSURE: 3399000 -41.3745 -170.35 55.0473 -131.992 43.1948 -223.016 38.7802 -289.565 124.802 PRESSAVG: 3399000 0.233073 -17.8136 -22.2218 -17.8137 -35.1304 -24.1653 -22.2218 -24.1653 25.4246 GPRESSAVG: 3399000 0.217086 -19.753 -21.3551 -18.5564 -34.6901 -23.5045 -22.8235 -23.0915 24.6338 TIMING: 3399000 CPU: 10807.5, 0.00313029/step Wall: 10807.5, 0.00313029/step, 1.39211 hours remaining, 240.550781 MB of memory in use. ENERGY: 3399000 4030.5059 20522.8809 14458.7195 254.0312 -203485.2594 2580.2418 0.0000 0.0000 52246.8185 -109392.0615 300.2632 -161638.8800 -109036.3699 299.7060 11.0113 42.2076 759773.3335 -3.1576 -3.2797 PRESSURE: 3399200 11.8158 -70.996 -57.6857 -70.9952 206.106 -231.727 -57.6849 -231.728 -418.288 GPRESSURE: 3399200 -35.5261 0.514334 34.5718 125.603 218.716 -178.032 -165.277 -281.712 -286.61 PRESSAVG: 3399200 21.7566 -1.502 -24.1693 -1.50198 -40.9947 -43.7806 -24.1694 -43.7806 -24.0686 GPRESSAVG: 3399200 21.5418 -1.13586 -23.8235 -0.388201 -41.7667 -44.1508 -24.6775 -46.1232 -23.1083 TIMING: 3399200 CPU: 10808.1, 0.00311757/step Wall: 10808.1, 0.00311757/step, 1.38628 hours remaining, 240.550781 MB of memory in use. ENERGY: 3399200 4036.1736 20623.9141 14415.9987 243.5397 -203698.3439 2583.8562 0.0000 0.0000 52278.5774 -109516.2842 300.4457 -161794.8616 -109154.0805 299.7121 -66.7887 -34.4734 758881.4614 -14.4356 -14.4444 PRESSURE: 3399400 -66.2392 139.464 -68.2714 139.464 -94.754 -106.739 -68.2721 -106.74 -117.3 GPRESSURE: 3399400 -37.0294 167.989 -62.0719 31.5913 -80.9324 -112.659 -4.4625 -44.9639 -48.0806 PRESSAVG: 3399400 31.4018 17.8221 -47.2848 17.8221 -3.48015 -48.0656 -47.2848 -48.0656 11.5123 GPRESSAVG: 3399400 31.3598 16.918 -47.1465 17.3063 -3.34743 -48.083 -47.1614 -48.7613 11.3602 TIMING: 3399400 CPU: 10808.8, 0.00311301/step Wall: 10808.8, 0.00311301/step, 1.38408 hours remaining, 240.550781 MB of memory in use. ENERGY: 3399400 3928.8015 20471.2590 14434.3774 228.0814 -203223.0481 2598.8147 0.0000 0.0000 51908.7850 -109652.9292 298.3205 -161561.7142 -109285.9254 299.5928 -92.7643 -55.3475 759601.4339 13.1447 13.1242 PRESSURE: 3399600 55.5532 4.61452 -308.088 4.61363 156.011 49.1018 -308.088 49.1011 -63.9231 GPRESSURE: 3399600 73.6171 -15.3152 -273.784 5.17491 222.346 -40.1261 -329.724 28.6211 -51.9407 PRESSAVG: 3399600 64.8824 43.0593 3.83561 43.0593 -24.511 43.0408 3.83559 43.0408 4.0357 GPRESSAVG: 3399600 65.173 43.0681 3.76789 42.6333 -25.3357 42.2406 6.24224 45.1983 4.64973 TIMING: 3399600 CPU: 10809.4, 0.0031202/step Wall: 10809.4, 0.0031202/step, 1.3871 hours remaining, 240.550781 MB of memory in use. ENERGY: 3399600 3998.9871 20500.6556 14461.2828 242.2756 -203523.1376 2881.3153 0.0000 0.0000 51984.6302 -109453.9909 298.7564 -161438.6211 -109101.5462 299.0493 49.2139 81.3407 761028.6512 14.8024 14.8290 PRESSURE: 3399800 140.27 -28.2953 -44.6645 -28.2951 259.454 27.8364 -44.6647 27.8357 30.6502 GPRESSURE: 3399800 131.584 -83.8576 7.04938 -25.4142 305.104 -25.4363 -63.613 3.52742 86.8735 PRESSAVG: 3399800 -8.25034 55.0649 -43.7607 55.065 10.021 17.5894 -43.7607 17.5895 17.4656 GPRESSAVG: 3399800 -8.88428 56.9304 -44.2102 55.1102 11.2216 17.9848 -44.6763 16.5024 17.4861 TIMING: 3399800 CPU: 10810, 0.00312765/step Wall: 10810, 0.00312765/step, 1.39024 hours remaining, 240.550781 MB of memory in use. ENERGY: 3399800 3875.2936 20520.2369 14419.9388 245.1844 -203477.8617 2785.0736 0.0000 0.0000 52005.2116 -109626.9228 298.8747 -161632.1344 -109256.4697 298.9215 143.4580 174.5205 761322.2168 6.4121 6.6078 WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3400000 -150.136 -67.7183 28.2394 -67.7189 -177.743 75.3053 28.2391 75.3057 -38.0416 GPRESSURE: 3400000 -122.299 -164.152 -18.4845 -89.9622 -146.761 68.5845 -116.551 -5.41406 1.25012 PRESSAVG: 3400000 7.76357 33.9478 -34.1714 33.9478 6.60903 67.1586 -34.1714 67.1586 6.34436 GPRESSAVG: 3400000 9.34808 32.9559 -34.4336 34.822 6.29596 67.1105 -36.2682 65.5249 5.02444 TIMING: 3400000 CPU: 10810.6, 0.0032284/step Wall: 10810.6, 0.0032284/step, 1.43484 hours remaining, 240.550781 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: 3400000 3938.1803 20491.9677 14429.4644 255.7484 -203039.0147 2339.2975 0.0000 0.0000 51944.4677 -109639.8886 298.5256 -161584.3563 -109268.4362 298.5756 -121.9735 -89.2699 762178.3730 6.9057 6.8895 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 PRESSURE: 3400200 233.824 173.604 53.501 173.604 -327.84 -40.545 53.5017 -40.5443 250.487 GPRESSURE: 3400200 236.875 113.876 67.4475 252.344 -232.856 -92.4142 225.408 124.501 247.982 PRESSAVG: 3400200 25.1601 45.489 1.22328 45.489 7.92131 13.8577 1.22331 13.8577 -14.4953 GPRESSAVG: 3400200 24.1438 46.1733 0.837777 44.6722 7.41036 16.2026 5.16765 15.2534 -13.2255 TIMING: 3400200 CPU: 10811.3, 0.00314349/step Wall: 10811.3, 0.00314349/step, 1.39693 hours remaining, 240.550781 MB of memory in use. ENERGY: 3400200 3920.6450 20448.7049 14449.3414 234.3432 -203465.1569 2500.1860 0.0000 0.0000 52027.6206 -109884.3158 299.0035 -161911.9364 -109530.0721 298.5701 52.1569 84.0005 760487.1567 6.1954 6.1096 LDB: ============= START OF LOAD BALANCING ============== 10823.7 LDB: ============== END OF LOAD BALANCING =============== 10823.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10823.7 LDB: ============= START OF LOAD BALANCING ============== 10824 LDB: Largest compute 7070 load 0.036550 is 18.7% of average load 0.195389 LDB: Average compute 0.004350 is 2.2% of average load 0.195389 LDB: TIME 10824 LOAD: AVG 0.195389 MAX 0.217096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10824 LOAD: AVG 0.195389 MAX 0.217096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.75 MB LDB: TIME 10824 LOAD: AVG 0.195389 MAX 0.217096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.75 MB LDB: ============== END OF LOAD BALANCING =============== 10824 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10824.1 PRESSURE: 3400400 -92.1128 140.204 146.993 140.203 -339.254 252.13 146.993 252.131 -247.829 GPRESSURE: 3400400 -69.1599 137.956 82.5831 71.3939 -328.726 229.5 156.111 265.705 -222.703 PRESSAVG: 3400400 0.487813 25.0181 43.3727 25.0181 21.2206 -5.95026 43.3727 -5.95031 25.2713 GPRESSAVG: 3400400 2.22544 24.6849 42.9974 24.2829 20.3591 -7.81614 42.0235 -4.78113 24.6369 TIMING: 3400400 CPU: 10811.9, 0.00320514/step Wall: 10811.9, 0.00320514/step, 1.42415 hours remaining, 239.527344 MB of memory in use. ENERGY: 3400400 3963.9935 20294.7421 14490.7688 249.8574 -202976.5373 2154.7804 0.0000 0.0000 52097.7843 -109724.6107 299.4067 -161822.3950 -109366.9371 298.6580 -226.3987 -206.8630 760137.3860 15.6599 15.7405 PRESSURE: 3400600 -93.3302 243.617 -153.314 243.616 113.92 -92.92 -153.314 -92.9195 42.3892 GPRESSURE: 3400600 -6.09453 166.013 -116.079 205.486 145.475 -84.8515 -171.151 -41.7466 31.2655 PRESSAVG: 3400600 13.7231 32.5015 14.7508 32.5015 -15.3511 20.1008 14.7509 20.1008 24.5282 GPRESSAVG: 3400600 12.2793 32.9457 14.5336 34.6618 -13.7077 19.7948 12.8035 19.032 23.6976 TIMING: 3400600 CPU: 10812.5, 0.00312999/step Wall: 10812.5, 0.00312999/step, 1.39058 hours remaining, 239.527344 MB of memory in use. ENERGY: 3400600 3978.2551 20564.4401 14484.8093 233.6081 -203389.2668 2479.7688 0.0000 0.0000 52016.7359 -109631.6496 298.9409 -161648.3854 -109268.9393 298.7534 20.9930 56.8820 762054.0788 7.6334 7.4231 PRESSURE: 3400800 31.4778 -121.46 -111.762 -121.46 -4.97676 27.7522 -111.762 27.7533 261.742 GPRESSURE: 3400800 -11.3257 -112.566 -94.2685 -89.8635 102.313 23.5919 -135.913 70.6863 290.112 PRESSAVG: 3400800 -8.55905 -15.95 -1.78475 -15.9499 19.338 20.2149 -1.78465 20.2149 -24.2049 GPRESSAVG: 3400800 -8.9794 -17.7036 -1.052 -16.3692 18.2988 21.1921 0.104045 21.211 -23.1157 TIMING: 3400800 CPU: 10813.2, 0.00312077/step Wall: 10813.2, 0.00312077/step, 1.38631 hours remaining, 239.527344 MB of memory in use. ENERGY: 3400800 4032.9254 20324.9648 14480.0745 234.4851 -203481.9535 2730.4294 0.0000 0.0000 51922.2151 -109756.8591 298.3977 -161679.0742 -109395.9946 298.6332 96.0810 127.0332 762141.0466 -4.4753 -4.5988 PRESSURE: 3401000 -249.232 -103.37 -8.14875 -103.37 160.924 -226.389 -8.14805 -226.39 108.579 GPRESSURE: 3401000 -196.905 -92.6659 110.25 -118.365 261.849 -244.576 -182.697 -182.711 59.0672 PRESSAVG: 3401000 -47.89 -25.8648 29.294 -25.8647 23.996 17.0852 29.294 17.0852 3.53961 GPRESSAVG: 3401000 -47.3669 -24.9127 30.5101 -25.6265 24.4283 15.9474 28.664 17.5391 2.54423 TIMING: 3401000 CPU: 10813.8, 0.00313279/step Wall: 10813.8, 0.00313278/step, 1.39148 hours remaining, 239.527344 MB of memory in use. ENERGY: 3401000 4040.1475 20421.8602 14423.7128 241.4972 -203729.7286 2654.0212 0.0000 0.0000 52108.8553 -109839.6344 299.4703 -161948.4898 -109477.7289 299.0784 6.7571 41.3371 760928.3407 -6.7848 -6.7981 PRESSURE: 3401200 -53.718 59.7931 48.182 59.7929 -17.4412 108.979 48.1817 108.978 544.266 GPRESSURE: 3401200 -17.3086 -51.6809 16.0981 -45.521 34.1037 181.797 9.14287 96.8568 558.321 PRESSAVG: 3401200 19.3055 6.27479 -15.5807 6.27483 4.32517 -14.5799 -15.5807 -14.5799 -0.0512762 GPRESSAVG: 3401200 19.2996 7.10698 -18.0674 5.09651 3.72775 -13.2201 -14.4656 -14.4439 0.226799 TIMING: 3401200 CPU: 10814.4, 0.00311665/step Wall: 10814.4, 0.00311665/step, 1.38414 hours remaining, 239.527344 MB of memory in use. ENERGY: 3401200 3865.7794 20360.7078 14448.3841 231.2022 -203699.8474 2867.5530 0.0000 0.0000 52231.5256 -109694.6953 300.1753 -161926.2210 -109332.7241 298.7256 157.7023 191.7054 761060.6543 7.8598 7.7514 PRESSURE: 3401400 -132.184 -259.557 274.841 -259.557 -64.5296 15.1226 274.841 15.1241 181.575 GPRESSURE: 3401400 -77.8479 -137.215 251.668 -192.296 -46.0197 32.3418 304.606 20.6854 188.905 PRESSAVG: 3401400 9.76241 11.4905 -7.66157 11.4905 12.9997 -24.9733 -7.6616 -24.9732 -24.7156 GPRESSAVG: 3401400 10.3547 11.8248 -6.32069 11.1731 13.5251 -26.0443 -9.14764 -26.7251 -24.9648 TIMING: 3401400 CPU: 10815, 0.00313753/step Wall: 10815, 0.00313753/step, 1.39324 hours remaining, 239.527344 MB of memory in use. ENERGY: 3401400 3943.1877 20450.5266 14463.1624 259.1523 -202937.6090 2444.2743 0.0000 0.0000 51912.3562 -109464.9496 298.3410 -161377.3058 -109099.6786 298.7205 -5.0463 21.6790 762012.0684 -0.6512 -0.3617 PRESSURE: 3401600 146.451 -44.1192 -124.286 -44.1198 384.434 -198.922 -124.287 -198.923 82.6538 GPRESSURE: 3401600 256.317 47.1877 -97.809 -91.2827 350.929 -190.238 -19.866 -137.628 104.458 PRESSAVG: 3401600 48.0944 -11.4978 -3.97966 -11.4978 -13.439 -5.7876 -3.97968 -5.78758 -3.81747 GPRESSAVG: 3401600 47.0181 -11.5696 -4.9756 -10.6209 -12.8285 -7.01671 -1.49456 -2.4041 -3.72077 TIMING: 3401600 CPU: 10815.7, 0.00313596/step Wall: 10815.7, 0.00313596/step, 1.39237 hours remaining, 239.527344 MB of memory in use. ENERGY: 3401600 4095.7359 20390.7570 14487.9174 254.8208 -203678.6799 2852.7139 0.0000 0.0000 52083.2338 -109513.5009 299.3231 -161596.7348 -109135.7247 299.6203 204.5128 237.2348 760002.7018 10.2793 10.1563 PRESSURE: 3401800 -51.1421 -62.0414 82.1952 -62.0416 115.289 -69.0801 82.1944 -69.0799 -260.075 GPRESSURE: 3401800 30.6127 -104.772 86.1437 -11.4578 64.4662 -62.6842 0.768682 -45.5812 -190.044 PRESSAVG: 3401800 62.6105 22.1841 9.4149 22.184 -17.8673 -25.0656 9.4149 -25.0656 6.84326 GPRESSAVG: 3401800 63.4547 23.1902 9.65422 21.693 -19.3793 -24.2072 9.24553 -27.7051 7.58718 TIMING: 3401800 CPU: 10816.3, 0.00312548/step Wall: 10816.3, 0.00312548/step, 1.38754 hours remaining, 239.527344 MB of memory in use. ENERGY: 3401800 4019.3952 20509.5087 14509.3879 260.9126 -203736.0452 2926.8646 0.0000 0.0000 51924.9833 -109584.9928 298.4136 -161509.9762 -109224.9216 299.0317 -65.3095 -31.6550 762610.3599 17.1955 17.2209 PRESSURE: 3402000 -2.24682 -147.423 -238.599 -147.422 -62.5042 82.3765 -238.599 82.3753 181.426 GPRESSURE: 3402000 -0.845174 -166.366 -208.243 -63.141 84.9818 61.7295 -133.617 -11.0483 114.695 PRESSAVG: 3402000 -4.85821 14.422 -31.8258 14.422 10.1729 -23.1111 -31.8258 -23.1112 -4.72997 GPRESSAVG: 3402000 -4.58185 13.4651 -30.6565 17.794 10.6637 -22.5877 -33.414 -25.7335 -4.99766 TIMING: 3402000 CPU: 10816.9, 0.0031397/step Wall: 10816.9, 0.0031397/step, 1.39368 hours remaining, 239.527344 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: 3402000 4040.2208 20545.0312 14450.1340 252.1683 -203440.2008 2676.3965 0.0000 0.0000 51869.0954 -109607.1547 298.0924 -161476.2501 -109248.6985 299.0902 38.8917 66.2774 761815.3573 0.1949 0.3614 PRESSURE: 3402200 -137.047 -102.264 -106.446 -102.265 -231.941 -34.5542 -106.446 -34.5541 294.813 GPRESSURE: 3402200 -72.016 -170.813 -101.416 -61.9196 -218.04 -13.3392 13.7567 4.47856 295.244 PRESSAVG: 3402200 -27.7092 22.8916 -36.7924 22.8916 11.3864 -42.9784 -36.7924 -42.9784 -6.88517 GPRESSAVG: 3402200 -28.6391 22.8656 -37.3211 22.0172 12.4146 -43.5826 -36.4645 -41.3035 -7.23839 TIMING: 3402200 CPU: 10817.5, 0.00313282/step Wall: 10817.5, 0.00313282/step, 1.39045 hours remaining, 239.527344 MB of memory in use. ENERGY: 3402200 4019.9787 20444.8769 14544.5553 240.1134 -203590.7596 2644.7894 0.0000 0.0000 51886.4718 -109809.9741 298.1923 -161696.4459 -109445.0654 298.2640 -24.7251 1.7291 762323.8216 -7.7360 -7.8209 PRESSURE: 3402400 -52.624 -19.6285 -283.571 -19.6284 -262.726 314.929 -283.571 314.932 -362.168 GPRESSURE: 3402400 -67.0153 135.654 -212.719 -73.7316 -230.841 277.546 -410.614 141.953 -276.854 PRESSAVG: 3402400 -27.6025 16.1772 -6.79676 16.1772 -3.27174 -13.5637 -6.79675 -13.5638 7.37897 GPRESSAVG: 3402400 -27.282 16.6343 -6.25448 15.4177 -4.0577 -14.8168 -7.48382 -13.0525 7.73681 TIMING: 3402400 CPU: 10818.2, 0.00313545/step Wall: 10818.2, 0.00313546/step, 1.39145 hours remaining, 239.527344 MB of memory in use. ENERGY: 3402400 3922.1843 20408.1181 14463.0760 245.9627 -203373.0141 2612.0338 0.0000 0.0000 51810.3297 -109911.3095 297.7547 -161721.6393 -109550.5102 298.3351 -225.8393 -191.5700 762386.1431 -7.8318 -7.8676 PRESSURE: 3402600 72.3437 74.3358 72.9227 74.3354 -161.626 -265.881 72.923 -265.881 161.286 GPRESSURE: 3402600 101.814 22.0009 83.1414 -28.8935 -160.114 -278.936 79.7852 -195.307 216.756 PRESSAVG: 3402600 11.2199 -12.467 -46.4319 -12.4671 -8.68574 3.63262 -46.4318 3.63268 -0.145981 GPRESSAVG: 3402600 11.533 -11.0296 -45.637 -13.6035 -10.3162 4.77809 -45.0477 5.87191 0.993568 TIMING: 3402600 CPU: 10818.8, 0.0031572/step Wall: 10818.8, 0.0031572/step, 1.40092 hours remaining, 239.527344 MB of memory in use. ENERGY: 3402600 3938.0744 20510.4409 14455.1933 242.6112 -203478.8272 2746.3822 0.0000 0.0000 51755.2113 -109830.9139 297.4379 -161586.1252 -109474.9633 297.9783 24.0014 52.8183 761600.9586 0.7961 0.7368 PRESSURE: 3402800 91.5311 -131.357 -4.22541 -131.357 416.065 -272.173 -4.22666 -272.172 252.652 GPRESSURE: 3402800 146.964 -162.282 -22.401 -112.699 333.553 -261.279 -17.7951 -197.61 364.173 PRESSAVG: 3402800 -57.0042 12.1734 4.28164 12.1734 10.7018 -1.93096 4.28157 -1.93095 20.5572 GPRESSAVG: 3402800 -57.1607 9.65987 5.06144 13.1623 13.0731 -1.90875 4.01419 -3.4629 18.5333 TIMING: 3402800 CPU: 10819.4, 0.00312819/step Wall: 10819.4, 0.00312819/step, 1.38787 hours remaining, 239.527344 MB of memory in use. ENERGY: 3402800 3950.9375 20455.0824 14448.6292 239.0925 -203954.6957 3085.9667 0.0000 0.0000 51919.4152 -109855.5722 298.3816 -161774.9874 -109503.0257 297.8194 253.4159 281.5636 760537.4031 -8.5817 -8.5181 PRESSURE: 3403000 76.3753 -41.0207 83.0137 -41.0203 23.2661 14.0538 83.0141 14.0534 -103.343 GPRESSURE: 3403000 55.7338 12.026 130.434 -84.6248 120.115 -38.2801 -60.7969 -5.69645 -89.9045 PRESSAVG: 3403000 -32.4688 63.6444 13.1242 63.6443 47.1579 -21.844 13.1241 -21.844 -0.971225 GPRESSAVG: 3403000 -32.4956 65.9829 12.8593 62.2387 47.1853 -23.0353 11.8576 -25.0539 -0.454361 TIMING: 3403000 CPU: 10820.1, 0.00314232/step Wall: 10820.1, 0.00314233/step, 1.39397 hours remaining, 239.527344 MB of memory in use. ENERGY: 3403000 4037.2737 20439.9222 14367.0140 261.1429 -203342.8347 2504.3696 0.0000 0.0000 51760.8411 -109972.2712 297.4703 -161733.1123 -109614.5534 297.9543 -1.2340 28.6481 761486.8434 4.5726 4.7451 PRESSURE: 3403200 -354.894 5.37249 1.00454 5.3728 36.3913 145.469 1.00336 145.469 -390.776 GPRESSURE: 3403200 -309.07 -18.3339 -37.505 26.0673 26.6257 122.614 71.3232 97.8101 -317.755 PRESSAVG: 3403200 -38.0705 54.8784 -15.6278 54.8783 32.0848 -26.9448 -15.6279 -26.9448 26.5046 GPRESSAVG: 3403200 -36.8627 52.335 -16.7355 58.6669 29.9454 -26.0355 -14.9875 -24.4515 27.2143 TIMING: 3403200 CPU: 10820.7, 0.00314796/step Wall: 10820.7, 0.00314796/step, 1.39629 hours remaining, 239.527344 MB of memory in use. ENERGY: 3403200 4010.9097 20461.7332 14489.7699 243.7427 -203347.8733 2598.2925 0.0000 0.0000 51824.8929 -109718.5324 297.8384 -161543.4254 -109353.0171 298.2788 -236.4264 -200.0662 762310.8349 6.8396 6.7657 PRESSURE: 3403400 -28.8808 46.2486 -193.123 46.2481 6.5586 -84.2915 -193.123 -84.292 -315.202 GPRESSURE: 3403400 -9.1407 90.1399 -183.446 26.1882 108.605 -166.427 -114.499 -163.918 -325.794 PRESSAVG: 3403400 -10.6292 -46.3482 27.2495 -46.3482 46.3264 18.3434 27.2495 18.3435 5.32461 GPRESSAVG: 3403400 -11.3593 -45.059 26.6185 -47.21 47.2622 18.6591 27.5552 18.253 5.42238 TIMING: 3403400 CPU: 10821.3, 0.00313935/step Wall: 10821.3, 0.00313935/step, 1.3923 hours remaining, 239.527344 MB of memory in use. ENERGY: 3403400 4005.3980 20387.4093 14462.1400 267.0574 -203367.5228 2610.2155 0.0000 0.0000 51940.0192 -109695.2834 298.5000 -161635.3027 -109347.7500 298.1767 -112.5082 -75.4432 759947.2516 13.6739 13.7751 PRESSURE: 3403600 223.615 -82.1467 -105.052 -82.1464 131.163 351.701 -105.052 351.701 225.454 GPRESSURE: 3403600 287.494 -196.162 -66.727 -16.0001 163.606 352.438 -127.996 432.273 217.071 PRESSAVG: 3403600 -23.2611 -79.849 11.0606 -79.849 14.7511 31.2822 11.0606 31.2822 8.16419 GPRESSAVG: 3403600 -22.7558 -80.5085 11.8925 -79.2929 14.5746 31.6271 10.0619 31.6202 8.05755 TIMING: 3403600 CPU: 10821.9, 0.00313388/step Wall: 10821.9, 0.00313387/step, 1.3897 hours remaining, 239.527344 MB of memory in use. ENERGY: 3403600 3941.6888 20418.8622 14481.4922 240.5459 -203266.8336 2671.6077 0.0000 0.0000 51786.4243 -109726.2124 297.6173 -161512.6367 -109374.8598 297.9997 193.4109 222.7234 758856.3798 -0.1153 -0.0412 PRESSURE: 3403800 -172.434 67.0484 198.435 67.0484 8.40267 76.8105 198.434 76.8109 80.9777 GPRESSURE: 3403800 -100.656 -5.5518 187.173 23.8786 45.6514 43.5411 195.5 0.567176 34.1937 PRESSAVG: 3403800 -38.4782 -41.4509 -38.3807 -41.4509 64.6044 9.07966 -38.3807 9.07968 8.44465 GPRESSAVG: 3403800 -39.2113 -41.6364 -40.2449 -42.9882 64.5713 8.68238 -36.9478 9.88414 8.56855 TIMING: 3403800 CPU: 10822.6, 0.00313209/step Wall: 10822.6, 0.00313209/step, 1.38874 hours remaining, 239.527344 MB of memory in use. ENERGY: 3403800 3956.1449 20358.7704 14446.0218 253.3618 -203098.1749 2213.2988 0.0000 0.0000 52072.2881 -109798.2892 299.2602 -161870.5773 -109437.6712 298.2683 -27.6844 -6.9371 759676.9627 11.5236 11.3095 PRESSURE: 3404000 -144.258 -40.7837 41.1732 -40.7825 135.431 156.992 41.1733 156.992 -141.351 GPRESSURE: 3404000 -115.42 -91.0121 107.082 -32.6809 172.698 163.709 31.397 182.574 -104.774 PRESSAVG: 3404000 3.74949 0.843513 -18.9642 0.843549 -9.40738 20.1459 -18.9642 20.146 7.19857 GPRESSAVG: 3404000 4.39982 0.213721 -16.4466 1.30433 -8.75654 20.5863 -19.571 18.8186 6.43027 TIMING: 3404000 CPU: 10823.2, 0.0031563/step Wall: 10823.2, 0.0031563/step, 1.39929 hours remaining, 239.527344 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: 3404000 3968.0997 20350.4943 14384.4782 245.1527 -202501.8839 1952.4654 0.0000 0.0000 51731.0043 -109870.1894 297.2988 -161601.1936 -109506.8903 298.0623 -50.0593 -15.8319 760585.8929 0.5136 0.6912 PRESSURE: 3404200 -231.562 -171.463 47.8619 -171.463 -248.457 263.913 47.8615 263.914 -75.988 GPRESSURE: 3404200 -262.657 -110.148 8.5727 -241.738 -186.713 255.96 80.2337 173.351 -29.8298 PRESSAVG: 3404200 8.36338 -65.9045 11.6115 -65.9045 -23.3689 -5.88676 11.6115 -5.88672 -36.2535 GPRESSAVG: 3404200 7.52412 -65.3998 12.1978 -66.3581 -23.6706 -7.07969 9.22522 -6.26117 -35.3913 TIMING: 3404200 CPU: 10823.8, 0.00314856/step Wall: 10823.8, 0.00314856/step, 1.39568 hours remaining, 239.527344 MB of memory in use. ENERGY: 3404200 4005.5540 20264.4472 14441.0081 247.6648 -203197.9343 2337.9000 0.0000 0.0000 52141.6594 -109759.7008 299.6588 -161901.3602 -109394.3951 297.8330 -185.3355 -159.7332 758779.8131 -17.0863 -17.1793 LDB: ============= START OF LOAD BALANCING ============== 10836.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10836.3 LDB: =============== DONE WITH MIGRATION ================ 10836.3 LDB: ============= START OF LOAD BALANCING ============== 10836.6 LDB: Largest compute 7070 load 0.036824 is 18.9% of average load 0.195295 LDB: Average compute 0.004362 is 2.2% of average load 0.195295 LDB: TIME 10836.6 LOAD: AVG 0.195295 MAX 0.216457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 10836.6 LOAD: AVG 0.195295 MAX 0.216457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 10836.6 LOAD: AVG 0.195295 MAX 0.216457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 10836.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10836.6 PRESSURE: 3404400 219.373 35.1869 61.5955 35.1871 -84.7376 -58.5012 61.5956 -58.5024 -128.385 GPRESSURE: 3404400 129.143 -191.472 65.361 -17.9512 64.8465 -124.295 88.2627 -42.3731 -124.322 PRESSAVG: 3404400 -11.0412 -26.5843 0.0545316 -26.5843 6.76898 -24.6917 0.0545142 -24.6917 14.8689 GPRESSAVG: 3404400 -11.4469 -27.2231 -2.82846 -24.0725 6.62135 -24.1586 3.45488 -24.6451 15.5684 TIMING: 3404400 CPU: 10824.5, 0.00321648/step Wall: 10824.5, 0.00321648/step, 1.42562 hours remaining, 240.039062 MB of memory in use. ENERGY: 3404400 3972.5767 20501.4020 14416.7312 242.1979 -203478.8575 2676.3226 0.0000 0.0000 52062.5344 -109607.0926 299.2041 -161669.6271 -109236.0663 298.5075 2.0835 23.2223 761143.8167 3.5322 3.5810 PRESSURE: 3404600 -209.302 20.7662 45.5691 20.7667 28.1215 -102.69 45.5683 -102.689 -183.391 GPRESSURE: 3404600 -117.478 73.8117 1.8583 -13.0047 71.0664 -65.3995 61.1532 -125.203 -218.536 PRESSAVG: 3404600 28.9124 -63.1241 -18.064 -63.1242 -14.3762 41.0178 -18.064 41.0178 7.41202 GPRESSAVG: 3404600 30.6866 -60.9795 -15.9389 -67.3233 -14.4905 40.8042 -19.5013 40.7483 5.99319 TIMING: 3404600 CPU: 10825.1, 0.00314461/step Wall: 10825.1, 0.00314461/step, 1.39358 hours remaining, 240.039062 MB of memory in use. ENERGY: 3404600 3910.0124 20489.2838 14509.3423 262.6319 -203306.7352 2429.5216 0.0000 0.0000 52062.1374 -109643.8057 299.2018 -161705.9432 -109277.7126 299.0446 -121.5238 -88.3157 760500.9137 7.3161 7.3964 PRESSURE: 3404800 109.104 82.3824 -187.377 82.3819 80.7365 156.757 -187.378 156.757 421.022 GPRESSURE: 3404800 203.685 31.4652 -230.915 30.8497 152.885 200.672 -198.202 63.1793 340.293 PRESSAVG: 3404800 -5.15709 17.5824 20.8624 17.5823 -2.59449 -36.9417 20.8624 -36.9417 2.27762 GPRESSAVG: 3404800 -5.9462 16.1468 21.5443 17.7694 -1.4946 -37.7185 22.5062 -36.3925 2.52775 TIMING: 3404800 CPU: 10825.7, 0.00314037/step Wall: 10825.7, 0.00314037/step, 1.39153 hours remaining, 240.039062 MB of memory in use. ENERGY: 3404800 3923.9145 20527.9262 14444.4236 232.9443 -203101.9660 2438.7246 0.0000 0.0000 51983.2470 -109550.7858 298.7484 -161534.0329 -109193.3354 298.2839 203.6211 232.2876 759503.3068 -1.8247 -1.6377 PRESSURE: 3405000 90.3908 -111.623 114.925 -111.622 180.658 38.2958 114.925 38.2967 -16.8576 GPRESSURE: 3405000 180.232 -92.9054 114.913 -190.205 182.557 40.1596 -10.9292 -14.6606 -31.4379 PRESSAVG: 3405000 -30.0111 30.2586 -14.6653 30.2585 -14.5344 -20.7236 -14.6653 -20.7235 3.34276 GPRESSAVG: 3405000 -28.9101 31.5919 -14.6154 31.3248 -15.5323 -20.3447 -14.568 -20.3642 3.19058 TIMING: 3405000 CPU: 10826.4, 0.0031302/step Wall: 10826.4, 0.0031302/step, 1.38685 hours remaining, 240.039062 MB of memory in use. ENERGY: 3405000 3949.7711 20434.1094 14508.3858 231.8541 -202846.4731 2429.4556 0.0000 0.0000 51743.6619 -109549.2352 297.3715 -161292.8971 -109203.4150 298.1946 84.7304 110.4504 761390.1667 -13.7342 -13.7506 PRESSURE: 3405200 149.002 154.535 210.832 154.535 208.631 147.303 210.831 147.303 -335.497 GPRESSURE: 3405200 146.448 -2.33148 230.73 167.133 225.116 161.161 206.522 286.528 -252.794 PRESSAVG: 3405200 21.9479 35.3605 -23.1298 35.3605 3.15753 41.5759 -23.1298 41.5759 -6.34523 GPRESSAVG: 3405200 22.1733 32.9532 -24.8042 34.451 3.49864 42.4934 -23.0536 41.4957 -6.3462 TIMING: 3405200 CPU: 10827, 0.00312857/step Wall: 10827, 0.00312857/step, 1.38596 hours remaining, 240.039062 MB of memory in use. ENERGY: 3405200 3993.6679 20294.6397 14418.7726 232.6479 -203042.0537 2512.6738 0.0000 0.0000 51937.6985 -109651.9533 298.4867 -161589.6517 -109284.7813 299.2947 7.3786 39.5899 759063.4440 6.2534 6.4419 PRESSURE: 3405400 -151.115 -19.0406 0.0963771 -19.042 -72.1963 45.7958 0.0969452 45.796 113.442 GPRESSURE: 3405400 -76.9571 1.83587 -60.5045 48.2687 -16.853 -32.0532 21.7982 163.984 53.4324 PRESSAVG: 3405400 -3.38359 33.1174 -4.16067 33.1174 46.3132 24.2988 -4.16058 24.2988 6.56551 GPRESSAVG: 3405400 -3.98246 34.0457 -2.15657 35.5901 45.7094 23.4406 -5.03182 25.1889 7.50172 TIMING: 3405400 CPU: 10827.6, 0.00313117/step Wall: 10827.6, 0.00313117/step, 1.38694 hours remaining, 240.039062 MB of memory in use. ENERGY: 3405400 3945.8299 20452.0649 14457.8769 245.4734 -202761.0908 2378.2580 0.0000 0.0000 51845.4469 -109436.1407 297.9565 -161281.5876 -109079.2209 298.7513 -36.6232 -13.4592 762559.8721 16.4984 16.4095 PRESSURE: 3405600 196.459 -131.677 92.5783 -131.677 334.005 124.019 92.5776 124.019 302.448 GPRESSURE: 3405600 244.527 -57.5673 182.85 -66.4709 376.674 50.7465 107.113 183.371 298.854 PRESSAVG: 3405600 17.6197 14.5663 33.8864 14.5663 4.43632 -19.2771 33.8864 -19.277 -2.62668 GPRESSAVG: 3405600 17.0326 15.3968 32.5928 13.0341 4.83818 -17.7026 33.6579 -20.5012 -2.78835 TIMING: 3405600 CPU: 10828.2, 0.00311297/step Wall: 10828.2, 0.00311297/step, 1.3787 hours remaining, 240.039062 MB of memory in use. ENERGY: 3405600 3944.4672 20563.5930 14483.6771 245.9569 -203449.8958 2791.1233 0.0000 0.0000 51977.6078 -109443.4705 298.7160 -161421.0783 -109085.6534 299.2732 277.6374 306.6850 758698.4269 6.4764 6.3608 PRESSURE: 3405800 -166.809 123.831 285.726 123.831 -504.18 -35.4709 285.725 -35.4702 61.9164 GPRESSURE: 3405800 -256.842 -26.2339 311.266 165.329 -356.391 -41.8643 282.444 41.712 63.8672 PRESSAVG: 3405800 28.8052 -34.3157 0.800501 -34.3157 -47.7373 -14.2954 0.800474 -14.2953 11.2025 GPRESSAVG: 3405800 28.5307 -34.8828 0.386471 -35.4608 -47.9347 -16.609 2.17706 -13.4496 11.5594 TIMING: 3405800 CPU: 10828.9, 0.00315158/step Wall: 10828.9, 0.00315158/step, 1.39563 hours remaining, 240.039062 MB of memory in use. ENERGY: 3405800 4029.5692 20474.3756 14561.9848 257.6797 -202968.3059 2126.2257 0.0000 0.0000 52155.4258 -109363.0449 299.7379 -161518.4708 -109002.4440 299.2241 -203.0242 -183.1217 760738.5190 -2.5765 -2.6149 PRESSURE: 3406000 123.947 4.29902 -41.7313 4.29879 14.9733 -203.532 -41.732 -203.532 -441.281 GPRESSURE: 3406000 128.082 99.0283 -84.2952 -61.2665 112.491 -212.868 -23.0659 -137.287 -458.061 PRESSAVG: 3406000 43.6226 -9.1001 14.7623 -9.10003 -25.7893 38.3305 14.7623 38.3305 7.61285 GPRESSAVG: 3406000 44.7454 -8.86429 15.6758 -7.69647 -26.0766 40.2587 15.155 37.6588 7.24566 TIMING: 3406000 CPU: 10829.5, 0.00314031/step Wall: 10829.5, 0.00314031/step, 1.39046 hours remaining, 240.039062 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: 3406000 4003.2307 20584.9023 14495.4427 235.1958 -203056.2746 2220.8313 0.0000 0.0000 52099.8476 -109416.8241 299.4185 -161516.6717 -109063.7653 299.5858 -100.7869 -72.4958 761258.2351 8.4821 8.6381 PRESSURE: 3406200 -133.471 93.7557 206.398 93.7561 107.899 20.2189 206.398 20.219 -197.926 GPRESSURE: 3406200 -154.528 190.54 195.05 108.825 162.327 85.1418 218.141 11.3582 -155.476 PRESSAVG: 3406200 2.8871 -23.699 -43.727 -23.6991 13.7827 35.0397 -43.727 35.0397 0.0396077 GPRESSAVG: 3406200 1.70877 -24.6737 -43.7856 -25.1777 14.0166 33.5524 -45.5657 35.1005 0.769673 TIMING: 3406200 CPU: 10830.1, 0.00313433/step Wall: 10830.1, 0.00313433/step, 1.38764 hours remaining, 240.039062 MB of memory in use. ENERGY: 3406200 3995.1538 20601.8198 14480.3460 243.4711 -203197.9575 2468.9316 0.0000 0.0000 51983.5128 -109424.7224 298.7500 -161408.2352 -109070.9626 298.9994 -74.4994 -49.2253 762413.2486 5.5698 5.4983 PRESSURE: 3406400 98.7496 81.1464 14.3473 81.1458 -219.641 37.4562 14.3478 37.4571 72.2307 GPRESSURE: 3406400 77.8608 -80.5395 74.3667 157.94 -144.76 77.3922 43.882 32.3852 114.472 PRESSAVG: 3406400 6.47199 -29.4392 -5.18331 -29.4392 -27.3452 -6.23543 -5.18326 -6.2355 -5.55967 GPRESSAVG: 3406400 6.80693 -29.103 -6.14346 -28.0673 -27.3702 -7.47405 -3.93564 -4.99026 -5.67371 TIMING: 3406400 CPU: 10830.7, 0.00312383/step Wall: 10830.7, 0.00312383/step, 1.38281 hours remaining, 240.039062 MB of memory in use. ENERGY: 3406400 4077.1789 20494.0799 14446.8787 255.0591 -203318.3993 2658.1601 0.0000 0.0000 52139.5083 -109247.5344 299.6465 -161387.0427 -108888.6586 299.6778 -16.2201 15.8578 761714.3166 -8.8109 -8.7457 PRESSURE: 3406600 169.979 -83.1277 -58.4187 -83.1275 -30.7138 66.8415 -58.4192 66.8418 200.68 GPRESSURE: 3406600 209.33 -75.6317 -164.267 11.2838 -48.9791 116.023 -112.608 121.655 288.846 PRESSAVG: 3406600 -38.4987 -42.1518 -54.8462 -42.1517 -21.134 9.0257 -54.8461 9.02575 -15.4807 GPRESSAVG: 3406600 -37.5121 -43.4171 -54.9509 -42.3409 -22.5937 11.4042 -56.1151 8.44405 -15.03 TIMING: 3406600 CPU: 10831.4, 0.00315332/step Wall: 10831.4, 0.00315332/step, 1.39569 hours remaining, 240.039062 MB of memory in use. ENERGY: 3406600 3869.9856 20630.7811 14502.8736 240.5581 -203352.6089 2577.5246 0.0000 0.0000 52096.2218 -109434.6641 299.3977 -161530.8859 -109067.8877 299.6529 113.3153 149.7324 760442.5893 -25.0378 -25.0453 PRESSURE: 3406800 158.939 -88.5749 -4.82554 -88.576 192.916 242.486 -4.82536 242.485 335.002 GPRESSURE: 3406800 288.89 -40.0459 -70.096 -189.682 221.994 181.589 -36.1238 130.613 261.625 PRESSAVG: 3406800 48.6671 -2.05584 -25.349 -2.05581 -50.5566 27.4696 -25.3491 27.4697 10.3121 GPRESSAVG: 3406800 48.4019 0.221575 -24.5688 -3.53597 -48.7825 25.8098 -22.967 27.261 8.7948 TIMING: 3406800 CPU: 10832, 0.00314595/step Wall: 10832, 0.00314595/step, 1.39226 hours remaining, 240.039062 MB of memory in use. ENERGY: 3406800 3941.3205 20434.0246 14468.6229 275.7380 -203430.1602 2617.9733 0.0000 0.0000 52128.0697 -109564.4112 299.5807 -161692.4809 -109192.2259 298.9349 228.9524 257.5032 759604.5780 2.8075 2.8047 PRESSURE: 3407000 -98.8148 77.1722 -46.5799 77.1724 -90.3868 87.2873 -46.58 87.2882 98.0496 GPRESSURE: 3407000 -17.0032 -31.3818 -53.2831 -9.93745 -126.671 74.9953 60.3456 92.3744 112.704 PRESSAVG: 3407000 13.9286 4.99052 -6.72728 4.99055 22.1894 15.8182 -6.72727 15.8182 1.42571 GPRESSAVG: 3407000 13.204 6.36318 -7.08964 3.55882 22.9209 17.0131 -9.85538 14.8629 2.07603 TIMING: 3407000 CPU: 10832.6, 0.0031299/step Wall: 10832.6, 0.0031299/step, 1.38498 hours remaining, 240.039062 MB of memory in use. ENERGY: 3407000 4005.7405 20578.3513 14488.8828 247.5963 -203131.2641 2281.4028 0.0000 0.0000 52232.3055 -109296.9849 300.1798 -161529.2904 -108926.7897 299.2566 -30.3840 -10.3235 761059.6227 12.5145 12.7337 PRESSURE: 3407200 8.78252 117.499 -231.255 117.499 -37.4026 -137.795 -231.254 -137.794 218.899 GPRESSURE: 3407200 -0.560525 165.133 -170.06 71.3707 52.8057 -123.379 -229.188 -261.511 228.3 PRESSAVG: 3407200 25.188 13.5035 -65.9186 13.5035 1.91601 -35.3005 -65.9185 -35.3006 -7.02915 GPRESSAVG: 3407200 26.5557 11.5465 -65.4069 15.8602 -0.469104 -34.0967 -65.2671 -33.6623 -6.14014 TIMING: 3407200 CPU: 10833.3, 0.00315421/step Wall: 10833.3, 0.00315421/step, 1.39556 hours remaining, 240.039062 MB of memory in use. ENERGY: 3407200 3990.1364 20405.2316 14502.1443 248.8751 -203118.9218 2379.8146 0.0000 0.0000 52228.7475 -109363.9723 300.1593 -161592.7197 -108993.7533 299.4281 63.4263 93.5150 759320.8446 6.6916 6.6488 PRESSURE: 3407400 237.995 -51.8456 -264.974 -51.846 274.033 -12.0961 -264.974 -12.0965 203.642 GPRESSURE: 3407400 234.403 -125.745 -211.902 -122.218 334.395 20.2448 -298.3 -28.0326 226.58 PRESSAVG: 3407400 -6.66384 -11.3532 -16.8622 -11.3531 20.5409 -96.0975 -16.8621 -96.0974 19.0091 GPRESSAVG: 3407400 -7.62819 -11.9643 -16.8629 -13.4085 23.5408 -96.9758 -16.461 -98.2818 17.2291 TIMING: 3407400 CPU: 10833.9, 0.00314235/step Wall: 10833.9, 0.00314235/step, 1.39014 hours remaining, 240.039062 MB of memory in use. ENERGY: 3407400 3932.7159 20564.6056 14498.2409 273.9938 -203165.6365 2435.3421 0.0000 0.0000 52082.9402 -109377.7979 299.3214 -161460.7382 -109014.5833 299.9764 238.5568 265.1262 758814.6495 10.9621 11.0472 PRESSURE: 3407600 -251.958 37.6169 -212.05 37.617 109.894 135.01 -212.049 135.011 83.304 GPRESSURE: 3407600 -193.176 111.715 -286.696 86.1983 113.504 123.433 -178.204 194.674 103.617 PRESSAVG: 3407600 -26.9801 -20.0092 -13.2786 -20.0091 -0.994892 -17.8638 -13.2785 -17.8638 3.89813 GPRESSAVG: 3407600 -27.3777 -20.1639 -13.046 -17.2757 -2.54167 -19.2765 -12.2215 -16.5459 5.96527 TIMING: 3407600 CPU: 10834.5, 0.00313295/step Wall: 10834.5, 0.00313295/step, 1.38581 hours remaining, 240.039062 MB of memory in use. ENERGY: 3407600 3940.9225 20665.4320 14457.0573 273.3194 -203121.7910 2375.9010 0.0000 0.0000 52019.5761 -109389.5826 298.9572 -161409.1587 -109022.8012 299.9695 -19.5864 7.9813 761006.1590 -8.0256 -7.9847 PRESSURE: 3407800 -98.9251 24.4607 49.3708 24.4606 48.2648 -120.006 49.3699 -120.006 -55.508 GPRESSURE: 3407800 -68.0787 -13.6889 49.1729 37.6883 77.5895 -103.589 -36.8898 -96.1356 -28.0041 PRESSAVG: 3407800 -40.568 3.89688 -17.3983 3.89682 10.6748 -14.3103 -17.3983 -14.3104 -13.7408 GPRESSAVG: 3407800 -40.5177 3.96513 -17.9999 0.886118 11.1556 -13.419 -20.4722 -16.0879 -14.5145 TIMING: 3407800 CPU: 10835.1, 0.00313198/step Wall: 10835.1, 0.00313198/step, 1.3852 hours remaining, 240.039062 MB of memory in use. ENERGY: 3407800 4028.4067 20376.8038 14479.4848 254.4778 -203143.7180 2503.2907 0.0000 0.0000 52148.5601 -109352.6942 299.6985 -161501.2543 -108978.5328 299.4762 -35.3894 -6.1645 761782.8082 -14.5446 -14.6255 PRESSURE: 3408000 -6.61916 -54.8138 9.63126 -54.8147 181.271 -166.903 9.63069 -166.902 121.705 GPRESSURE: 3408000 95.9717 -53.3003 76.2381 70.971 191.326 -101.281 105.363 -59.6099 82.3782 PRESSAVG: 3408000 29.4322 10.6291 23.2684 10.6291 -25.7979 -29.4101 23.2685 -29.4102 0.344988 GPRESSAVG: 3408000 30.0157 9.66132 22.2207 12.7328 -25.4963 -29.2894 26.1975 -27.5742 -1.03868 TIMING: 3408000 CPU: 10835.8, 0.00314464/step Wall: 10835.8, 0.00314464/step, 1.39063 hours remaining, 240.039062 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: 3408000 4023.4902 20353.1546 14470.9538 251.9362 -203238.0393 2363.3485 0.0000 0.0000 52400.5769 -109374.5792 301.1468 -161775.1561 -109005.5662 299.5618 98.7855 123.2253 759433.1450 1.3264 1.1602 PRESSURE: 3408200 -281.049 205.713 125.457 205.713 93.403 -45.2697 125.458 -45.2695 -415.936 GPRESSURE: 3408200 -313.369 202.878 73.2059 216.82 124.588 101.016 129.403 -57.9916 -330.176 PRESSAVG: 3408200 44.555 46.8226 -0.335961 46.8226 -58.6022 -40.1564 -0.335941 -40.1563 18.7852 GPRESSAVG: 3408200 44.3682 48.5427 1.26184 46.3415 -59.6366 -40.7457 -2.2339 -41.4216 19.8141 TIMING: 3408200 CPU: 10836.4, 0.00314212/step Wall: 10836.4, 0.00314212/step, 1.38934 hours remaining, 240.039062 MB of memory in use. ENERGY: 3408200 4016.4922 20621.4067 14472.0659 247.3779 -202909.4466 2171.6525 0.0000 0.0000 52218.9583 -109161.4931 300.1031 -161380.4514 -108804.1674 299.6924 -201.1939 -172.9854 761678.7707 1.5794 1.5153 LDB: ============= START OF LOAD BALANCING ============== 10848.9 LDB: ============== END OF LOAD BALANCING =============== 10848.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10848.9 LDB: ============= START OF LOAD BALANCING ============== 10849.2 LDB: Largest compute 7070 load 0.035830 is 18.3% of average load 0.195390 LDB: Average compute 0.004366 is 2.2% of average load 0.195390 LDB: TIME 10849.2 LOAD: AVG 0.19539 MAX 0.214139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 10849.2 LOAD: AVG 0.19539 MAX 0.214139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 10849.2 LOAD: AVG 0.19539 MAX 0.214139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 10849.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10849.2 PRESSURE: 3408400 315.684 243.665 -159.896 243.665 57.6232 24.989 -159.895 24.9882 -59.7407 GPRESSURE: 3408400 262.715 234.759 -84.7046 204.611 89.6671 12.1367 -108.923 -42.1433 43.3902 PRESSAVG: 3408400 1.63022 44.7614 -9.25166 44.7614 6.51963 -32.8423 -9.25166 -32.8423 -18.4939 GPRESSAVG: 3408400 0.74498 45.7626 -9.8203 46.4551 6.81755 -32.4418 -6.73334 -32.4618 -18.069 TIMING: 3408400 CPU: 10837, 0.00323122/step Wall: 10837, 0.00323122/step, 1.42856 hours remaining, 241.320312 MB of memory in use. ENERGY: 3408400 4008.3379 20720.9055 14464.1292 243.9819 -203007.9733 2397.4040 0.0000 0.0000 51979.3738 -109193.8411 298.7262 -161173.2149 -108832.6535 300.0375 104.5221 131.9239 758701.0661 -3.4480 -3.5022 PRESSURE: 3408600 -131.455 25.1064 88.902 25.1067 -214.765 155.146 88.9024 155.145 -466.517 GPRESSURE: 3408600 -203.548 -59.5672 105.623 46.9774 -87.3604 120.739 146.663 222.622 -420.792 PRESSAVG: 3408600 -12.147 50.4765 -19.015 50.4765 29.4688 -12.6647 -19.015 -12.6646 -1.32996 GPRESSAVG: 3408600 -12.673 49.8158 -19.5136 49.154 29.9448 -14.1937 -20.6712 -10.4046 -1.18107 TIMING: 3408600 CPU: 10837.7, 0.00317879/step Wall: 10837.7, 0.00317879/step, 1.4052 hours remaining, 241.320312 MB of memory in use. ENERGY: 3408600 4006.7158 20359.4897 14397.7254 236.6971 -203111.3876 2437.9480 0.0000 0.0000 52235.6222 -109437.1896 300.1988 -161672.8117 -109066.3896 300.2594 -270.9125 -237.2336 760075.8880 5.3306 5.3636 PRESSURE: 3408800 108.377 120.822 -73.7304 120.822 131.951 -69.5416 -73.7296 -69.5414 98.3398 GPRESSURE: 3408800 161.14 174.915 -108.305 110.599 223.155 -42.6439 -76.6516 -244.216 77.7969 PRESSAVG: 3408800 -1.35307 42.9736 40.5502 42.9736 -0.990868 -62.1218 40.5502 -62.1218 5.08674 GPRESSAVG: 3408800 0.0799029 42.7217 40.4757 42.6616 -2.1365 -60.0441 40.2807 -63.7893 5.00905 TIMING: 3408800 CPU: 10838.3, 0.00315758/step Wall: 10838.3, 0.00315758/step, 1.39565 hours remaining, 241.320312 MB of memory in use. ENERGY: 3408800 3965.5942 20360.6294 14487.0313 229.6824 -203566.7185 2635.1932 0.0000 0.0000 52316.4339 -109572.1541 300.6633 -161888.5880 -109197.7853 299.6623 112.8892 154.0306 760702.3383 0.9143 0.9842 PRESSURE: 3409000 -28.6314 22.6079 145.309 22.6072 -101.018 -86.4646 145.309 -86.4648 -157.321 GPRESSURE: 3409000 33.528 -71.0146 176.52 55.3845 -55.9295 -167.482 89.3255 -173.496 -169.24 PRESSAVG: 3409000 -54.6658 53.0303 2.00804 53.0302 13.7518 -24.5233 2.00796 -24.5233 -15.309 GPRESSAVG: 3409000 -54.343 53.1247 0.134385 51.2864 13.5962 -25.1746 4.89913 -25.9016 -15.005 TIMING: 3409000 CPU: 10838.9, 0.00315572/step Wall: 10838.9, 0.00315572/step, 1.39465 hours remaining, 241.320312 MB of memory in use. ENERGY: 3409000 4017.4194 20455.9382 14463.6492 247.8370 -203008.2050 2448.7447 0.0000 0.0000 51868.5029 -109506.1135 298.0890 -161374.6164 -109152.4810 298.9456 -95.6567 -63.8806 759997.2136 -18.7410 -18.5839 PRESSURE: 3409200 -139.721 -99.0669 215.31 -99.0658 -146.264 -88.7026 215.31 -88.7032 -199.838 GPRESSURE: 3409200 -152.985 -47.7318 241.076 -160.592 -59.5322 -86.2557 156.173 -148.323 -173.983 PRESSAVG: 3409200 31.0261 38.5125 18.6141 38.5126 -24.2591 -56.333 18.6141 -56.3329 26.5949 GPRESSAVG: 3409200 29.259 39.0377 19.8656 40.0619 -22.9087 -55.9592 16.7811 -55.8145 26.612 TIMING: 3409200 CPU: 10839.6, 0.00313476/step Wall: 10839.6, 0.00313476/step, 1.38522 hours remaining, 241.320312 MB of memory in use. ENERGY: 3409200 3962.3359 20632.0265 14484.3203 254.6207 -203142.7669 2325.7492 0.0000 0.0000 51989.2402 -109494.4741 298.7829 -161483.7143 -109132.4145 299.6071 -161.9411 -128.8332 760132.4044 11.1206 10.9875 PRESSURE: 3409400 386.904 137.99 90.7579 137.99 26.2341 -60.7455 90.7578 -60.7457 194.451 GPRESSURE: 3409400 400.235 14.212 139.845 71.3734 91.0258 -61.4479 19.6774 49.7381 186.288 PRESSAVG: 3409400 -7.79926 26.6418 -25.1229 26.6418 -11.0777 -10.8926 -25.1228 -10.8926 1.88889 GPRESSAVG: 3409400 -7.73983 25.2006 -24.8137 25.781 -10.3601 -10.3157 -26.2262 -9.36236 0.913652 TIMING: 3409400 CPU: 10840.2, 0.00314938/step Wall: 10840.2, 0.00314939/step, 1.3915 hours remaining, 241.320312 MB of memory in use. ENERGY: 3409400 3913.3110 20517.0762 14464.4263 248.2052 -203228.0994 2472.0463 0.0000 0.0000 51835.2877 -109777.7468 297.8981 -161613.0345 -109414.1587 298.7933 202.5298 225.8495 760496.6383 -5.6627 -5.7288 PRESSURE: 3409600 234.156 -88.5204 180.818 -88.5199 15.3812 -38.2073 180.818 -38.2075 -290.878 GPRESSURE: 3409600 272.237 -41.523 241.032 -23.4602 26.4691 -81.1462 211.587 -245.351 -246.336 PRESSAVG: 3409600 30.3858 30.3143 -5.09085 30.3142 -29.6792 9.23563 -5.09088 9.23566 1.91156 GPRESSAVG: 3409600 30.2979 30.6776 -5.4012 31.5947 -31.8501 6.37557 -4.23805 9.12698 4.46184 TIMING: 3409600 CPU: 10840.8, 0.00314947/step Wall: 10840.8, 0.00314947/step, 1.39137 hours remaining, 241.320312 MB of memory in use. ENERGY: 3409600 3925.9483 20467.2733 14449.2892 239.4413 -203335.1167 2433.4920 0.0000 0.0000 52240.8803 -109578.7922 300.2291 -161819.6725 -109212.9356 298.4418 -13.7802 17.4564 761347.7018 0.8727 0.9699 PRESSURE: 3409800 263.106 -121.377 21.1326 -121.377 -149.177 87.6349 21.1332 87.6339 215.193 GPRESSURE: 3409800 310.302 19.6103 -19.1015 -90.4249 -107.445 13.4751 39.08 98.7357 234.15 PRESSAVG: 3409800 37.4301 38.0233 -17.2393 38.0233 -63.0742 -24.9039 -17.2393 -24.9039 -1.22054 GPRESSAVG: 3409800 38.2111 38.6139 -16.4867 38.179 -62.8787 -22.289 -18.4081 -25.1564 -1.83573 TIMING: 3409800 CPU: 10841.5, 0.00317217/step Wall: 10841.5, 0.00317217/step, 1.40122 hours remaining, 241.320312 MB of memory in use. ENERGY: 3409800 3969.7958 20568.4424 14454.2607 235.8881 -203765.8468 2977.4724 0.0000 0.0000 51787.4268 -109772.5607 297.6231 -161559.9875 -109404.4194 298.8867 109.7073 145.6689 760570.3906 -8.9549 -8.8345 PRESSURE: 3410000 325.183 106.819 15.7293 106.819 233.922 -99.5807 15.7293 -99.5808 -46.5558 GPRESSURE: 3410000 369.128 132.106 83.2042 133.239 296.55 -139.232 -21.866 -124.479 -52.545 PRESSAVG: 3410000 -24.5706 39.5029 -43.5696 39.5029 -18.0581 -4.12633 -43.5696 -4.12636 24.1566 GPRESSAVG: 3410000 -23.5942 40.5156 -43.1705 39.0452 -18.0762 -5.62648 -43.6552 -5.79357 23.2526 TIMING: 3410000 CPU: 10842.1, 0.00314287/step Wall: 10842.1, 0.00314287/step, 1.3881 hours remaining, 241.320312 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: 3410000 3863.8650 20510.0879 14456.2882 235.9009 -203377.9331 2608.3272 0.0000 0.0000 52086.4576 -109617.0063 299.3416 -161703.4639 -109244.7737 299.5512 170.8498 204.3779 761713.3847 -6.1574 -6.1392 PRESSURE: 3410200 -235.838 28.2184 -138.022 28.2171 -145.35 253.965 -138.021 253.964 -63.6247 GPRESSURE: 3410200 -257.004 -35.7428 -123.05 -4.03648 -57.2064 234.805 -82.0158 272.216 -59.4806 PRESSAVG: 3410200 17.5309 18.7707 -12.719 18.7708 -7.83071 -31.4219 -12.719 -31.422 4.74682 GPRESSAVG: 3410200 17.0148 17.9853 -12.9117 17.368 -8.4951 -31.7006 -12.4055 -30.5483 4.99572 TIMING: 3410200 CPU: 10842.7, 0.00314686/step Wall: 10842.7, 0.00314686/step, 1.38969 hours remaining, 241.320312 MB of memory in use. ENERGY: 3410200 4011.9322 20372.3699 14433.9858 271.4002 -203594.5728 2485.6782 0.0000 0.0000 52134.4090 -109884.7976 299.6172 -162019.2066 -109526.2711 298.8425 -148.2706 -124.5636 760195.9924 4.8157 4.5051 PRESSURE: 3410400 -129.28 -5.12959 57.9194 -5.1286 -313.303 -2.45244 57.9194 -2.45256 -229.812 GPRESSURE: 3410400 -72.9401 48.4787 87.015 -28.0855 -196.68 95.0477 -7.32623 -95.138 -306.909 PRESSAVG: 3410400 -9.44121 0.530199 -41.1178 0.530214 -16.8477 5.60458 -41.1177 5.60457 -2.68131 GPRESSAVG: 3410400 -9.96029 1.19147 -40.6014 1.8117 -16.7721 5.23061 -40.6226 4.9274 -2.4439 TIMING: 3410400 CPU: 10843.4, 0.00313341/step Wall: 10843.4, 0.00313341/step, 1.38357 hours remaining, 241.320312 MB of memory in use. ENERGY: 3410400 3894.5522 20471.5127 14422.7815 240.4850 -203365.1025 2495.6087 0.0000 0.0000 51974.2751 -109865.8872 298.6969 -161840.1623 -109496.5570 298.7495 -224.1317 -192.1763 761528.5013 -9.6567 -9.7254 PRESSURE: 3410600 224.261 -162.96 36.2841 -162.959 -239.122 46.6312 36.2838 46.6317 7.32665 GPRESSURE: 3410600 170.648 -103.012 84.8625 -175.762 -166.51 110.854 -23.0765 32.1135 79.8247 PRESSAVG: 3410600 80.4493 13.3325 9.41909 13.3326 -16.5969 -0.888391 9.41904 -0.888358 14.079 GPRESSAVG: 3410600 79.3352 12.9046 7.99952 10.6639 -16.1206 -0.0201655 11.4934 -0.454667 14.3862 TIMING: 3410600 CPU: 10844, 0.00312601/step Wall: 10844, 0.00312601/step, 1.38013 hours remaining, 241.320312 MB of memory in use. ENERGY: 3410600 4000.6814 20497.3681 14434.0757 234.2837 -203415.1252 2526.8235 0.0000 0.0000 52047.9880 -109673.9048 299.1205 -161721.8928 -109317.4604 298.4252 -2.5114 27.9878 760622.3975 25.9771 25.8669 PRESSURE: 3410800 111.635 -126.759 -117.545 -126.76 229.974 -69.9521 -117.545 -69.9518 295.138 GPRESSURE: 3410800 72.9399 -89.0265 -177.496 0.069126 243.703 -105.755 -20.4099 -27.1167 420.107 PRESSAVG: 3410800 -15.2731 5.46458 -34.6252 5.46457 -3.44575 -8.15319 -34.6251 -8.15313 -25.398 GPRESSAVG: 3410800 -14.8868 4.2878 -34.7116 8.02697 -4.31348 -6.44978 -36.3622 -7.74867 -24.916 TIMING: 3410800 CPU: 10844.6, 0.0031329/step Wall: 10844.6, 0.0031329/step, 1.383 hours remaining, 241.320312 MB of memory in use. ENERGY: 3410800 3982.7806 20590.1056 14449.2638 248.7661 -203702.7297 2771.5179 0.0000 0.0000 51977.4984 -109682.7972 298.7154 -161660.2957 -109318.3143 299.0395 212.2491 245.5835 758845.7804 -14.7056 -14.7054 PRESSURE: 3411000 -1.89886 181.295 210.978 181.295 211.944 -5.5372 210.977 -5.53827 236.646 GPRESSURE: 3411000 103.762 246.534 196.73 154.337 244.466 2.41446 227.529 15.4041 183.218 PRESSAVG: 3411000 30.221 13.3078 -17.8828 13.3078 -16.9297 -4.12472 -17.8828 -4.12483 41.0407 GPRESSAVG: 3411000 31.0848 12.1447 -16.404 13.0316 -16.5159 -5.35851 -16.4389 -3.64611 39.4744 TIMING: 3411000 CPU: 10845.2, 0.00315161/step Wall: 10845.2, 0.00315161/step, 1.39108 hours remaining, 241.320312 MB of memory in use. ENERGY: 3411000 4028.0069 20352.6500 14431.3216 241.2190 -203724.6406 2586.4692 0.0000 0.0000 52311.4248 -109773.5491 300.6345 -162084.9739 -109407.3298 298.7947 148.8970 177.1489 760685.7974 18.1107 18.0145 PRESSURE: 3411200 -134.227 -78.9089 44.1521 -78.9084 120.29 110.815 44.1519 110.816 -161.001 GPRESSURE: 3411200 -177.932 -75.5221 79.7552 -94.6084 188.906 143.569 -37.8046 -17.9426 -76.2456 PRESSAVG: 3411200 2.51301 7.66051 -18.557 7.6605 3.70968 -7.79287 -18.5569 -7.79287 7.09016 GPRESSAVG: 3411200 1.23474 7.12879 -19.2816 8.90035 4.58316 -7.39576 -19.0939 -7.72027 7.97785 TIMING: 3411200 CPU: 10845.9, 0.00316405/step Wall: 10845.9, 0.00316405/step, 1.3964 hours remaining, 241.320312 MB of memory in use. ENERGY: 3411200 4001.7897 20384.8315 14545.0287 236.9745 -203312.5715 2472.3338 0.0000 0.0000 51826.5218 -109845.0916 297.8477 -161671.6134 -109477.5483 298.5589 -58.3128 -21.7572 759953.8624 4.4376 4.5986 PRESSURE: 3411400 118.658 -13.7265 171.286 -13.7263 35.298 -397.069 171.286 -397.069 105.429 GPRESSURE: 3411400 209.821 -105.184 149.27 -33.812 2.69259 -448.902 113.894 -275.866 119.94 PRESSAVG: 3411400 -0.643027 39.379 -64.0972 39.3791 17.6916 -29.3085 -64.0972 -29.3085 8.62738 GPRESSAVG: 3411400 1.48375 41.0691 -62.1687 38.424 16.5543 -29.8724 -63.7228 -29.4391 7.97401 TIMING: 3411400 CPU: 10846.5, 0.00313304/step Wall: 10846.5, 0.00313304/step, 1.38254 hours remaining, 241.320312 MB of memory in use. ENERGY: 3411400 3945.6667 20555.8368 14581.6496 247.1313 -203997.1078 2833.9109 0.0000 0.0000 52037.5619 -109795.3506 299.0606 -161832.9125 -109424.9197 298.3899 86.4618 110.8177 760034.8290 8.5587 8.6707 PRESSURE: 3411600 157.63 94.8906 229.875 94.8917 -207.22 -8.21092 229.875 -8.21112 -151.426 GPRESSURE: 3411600 159.772 -19.0459 199.259 89.8903 -134.327 27.9033 204.285 -124.705 -152.88 PRESSAVG: 3411600 71.1208 -6.08345 -28.9934 -6.08355 -59.1674 -46.5129 -28.9934 -46.5128 4.73751 GPRESSAVG: 3411600 70.6098 -7.97412 -30.6032 -5.86385 -58.1049 -46.9671 -29.5128 -47.5019 4.73082 TIMING: 3411600 CPU: 10847.1, 0.00312863/step Wall: 10847.1, 0.00312863/step, 1.38042 hours remaining, 241.320312 MB of memory in use. ENERGY: 3411600 3992.4204 20458.2611 14577.4429 242.4546 -203636.9488 2646.7273 0.0000 0.0000 51860.0589 -109859.5837 298.0405 -161719.6426 -109494.1811 298.6302 -67.0051 -42.4785 761056.8374 5.5636 5.7452 PRESSURE: 3411800 10.3944 -1.82928 -52.7119 -1.82927 176.119 -5.84249 -52.7121 -5.84312 -162.905 GPRESSURE: 3411800 85.4932 42.3588 -59.2939 -117.085 193.426 -16.5957 -92.6675 -5.53738 -169.469 PRESSAVG: 3411800 76.3129 -33.0492 -2.45783 -33.0492 -55.1894 -1.61459 -2.45776 -1.61463 -10.0036 GPRESSAVG: 3411800 76.9212 -31.9365 -2.19024 -32.224 -56.2687 -0.755105 -2.86142 0.828048 -9.11103 TIMING: 3411800 CPU: 10847.7, 0.00314737/step Wall: 10847.7, 0.00314737/step, 1.38851 hours remaining, 241.320312 MB of memory in use. ENERGY: 3411800 4036.1910 20492.2634 14512.2574 253.4218 -202878.4818 2159.9979 0.0000 0.0000 51772.2846 -109652.0657 297.5360 -161424.3503 -109294.0957 298.8110 7.8694 36.4835 759129.5740 3.7066 3.8472 PRESSURE: 3412000 -14.0759 -101.514 0.0777839 -101.513 -158.302 -258.351 0.0777755 -258.35 113.349 GPRESSURE: 3412000 33.098 -50.3518 32.1919 25.1891 -173.747 -297.441 33.5036 -169.006 148.944 PRESSAVG: 3412000 49.4056 11.2572 4.57671 11.2572 -41.5467 -11.6268 4.57669 -11.6267 20.7896 GPRESSAVG: 3412000 48.0806 11.0155 4.72268 10.8781 -39.7301 -11.4315 4.92601 -13.3266 20.0351 TIMING: 3412000 CPU: 10848.4, 0.00316159/step Wall: 10848.4, 0.00316159/step, 1.39461 hours remaining, 241.320312 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: 3412000 3930.2393 20588.8034 14474.9104 256.6503 -203606.1395 2681.9453 0.0000 0.0000 52138.1734 -109535.4175 299.6388 -161673.5909 -109179.4836 298.9749 -19.6761 2.7650 759613.7460 9.5495 9.4619 PRESSURE: 3412200 -153.575 21.9133 33.5463 21.9142 -419.95 172.845 33.5469 172.844 -273.165 GPRESSURE: 3412200 -181.723 0.296684 148.897 81.4525 -411.94 154.237 69.4167 26.6896 -168.19 PRESSAVG: 3412200 57.8939 8.82254 47.4585 8.82256 -22.8283 -42.6441 47.4585 -42.6441 -12.3737 GPRESSAVG: 3412200 57.6334 7.8718 49.0439 9.26797 -23.1848 -43.5529 46.3068 -43.0849 -11.9175 TIMING: 3412200 CPU: 10849, 0.00314007/step Wall: 10849, 0.00314007/step, 1.38494 hours remaining, 241.320312 MB of memory in use. ENERGY: 3412200 4122.8276 20366.6463 14507.4695 248.8788 -203206.0739 2205.5572 0.0000 0.0000 52147.6679 -109607.0264 299.6934 -161754.6944 -109236.1810 299.4495 -282.2299 -253.9512 759648.4008 7.5640 7.5104 LDB: ============= START OF LOAD BALANCING ============== 10861.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10861.5 LDB: =============== DONE WITH MIGRATION ================ 10861.5 LDB: ============= START OF LOAD BALANCING ============== 10861.8 LDB: Largest compute 7031 load 0.035573 is 18.2% of average load 0.195436 LDB: Average compute 0.004380 is 2.2% of average load 0.195436 LDB: TIME 10861.8 LOAD: AVG 0.195436 MAX 0.216255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.84 MB LDB: TIME 10861.8 LOAD: AVG 0.195436 MAX 0.216255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 10861.8 LOAD: AVG 0.195436 MAX 0.216255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 10861.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10861.8 PRESSURE: 3412400 -146.588 251.974 -42.3394 251.974 -199.537 169.569 -42.3394 169.571 -167.181 GPRESSURE: 3412400 -71.9448 156.594 -128.264 220.913 -175.893 130.968 3.09515 102.69 -142.825 PRESSAVG: 3412400 -20.0207 6.87968 22.3594 6.87959 -28.1745 -13.7459 22.3594 -13.7459 15.4007 GPRESSAVG: 3412400 -19.3449 6.22019 20.4929 5.48149 -28.296 -13.2717 22.2474 -16.6073 15.398 TIMING: 3412400 CPU: 10849.7, 0.00322392/step Wall: 10849.7, 0.00322392/step, 1.42175 hours remaining, 241.125000 MB of memory in use. ENERGY: 3412400 4042.3726 20393.8195 14465.4372 237.9007 -203486.5169 2748.4506 0.0000 0.0000 52043.3039 -109555.2324 299.0936 -161598.5363 -109196.8289 298.9113 -171.1024 -130.2209 760729.0037 -10.9315 -10.7476 PRESSURE: 3412600 -298.987 41.9646 -148.669 41.964 -244.181 -90.3239 -148.669 -90.3234 -354.943 GPRESSURE: 3412600 -350.856 162.048 -158.524 -187.966 -141.454 -99.5092 -68.5456 101.554 -310.872 PRESSAVG: 3412600 9.1684 -29.8797 10.243 -29.8797 -12.4186 17.395 10.243 17.395 -1.55077 GPRESSAVG: 3412600 8.41291 -28.3885 10.3696 -30.1537 -12.155 17.4466 10.8079 20.9945 -1.7201 TIMING: 3412600 CPU: 10850.3, 0.00318719/step Wall: 10850.3, 0.00318719/step, 1.40537 hours remaining, 241.328125 MB of memory in use. ENERGY: 3412600 3979.9966 20421.7956 14533.4935 252.3244 -203023.1988 2123.2782 0.0000 0.0000 52069.9161 -109642.3943 299.2465 -161712.3104 -109289.7355 298.8547 -299.3703 -267.7275 760677.7099 -1.6003 -1.8207 PRESSURE: 3412800 -265.527 63.1079 -97.5637 63.1089 127.459 34.0024 -97.5632 34.0027 110.086 GPRESSURE: 3412800 -185.623 64.6253 -99.0439 -22.9909 116.316 14.2289 -30.1499 20.3233 107.757 PRESSAVG: 3412800 9.06885 -2.12813 22.0138 -2.12813 -21.2043 -36.4925 22.0138 -36.4924 -2.81573 GPRESSAVG: 3412800 8.41831 -2.27561 22.4626 -1.04066 -20.192 -36.2968 24.1285 -36.666 -3.30863 TIMING: 3412800 CPU: 10850.9, 0.00318637/step Wall: 10850.9, 0.00318637/step, 1.40483 hours remaining, 241.328125 MB of memory in use. ENERGY: 3412800 4021.6550 20601.5162 14532.4573 245.1571 -203546.0283 2471.4533 0.0000 0.0000 52049.9994 -109623.7900 299.1321 -161673.7894 -109268.3996 299.2598 -9.3273 12.8164 760591.9693 -4.9837 -5.0275 PRESSURE: 3413000 30.5957 -95.4056 154.341 -95.4041 -118.643 -30.821 154.343 -30.8207 138.02 GPRESSURE: 3413000 110.933 -120.17 97.4567 14.7409 -112.742 -24.4912 171.608 -35.7936 146.084 PRESSAVG: 3413000 -20.5842 -44.6999 -11.484 -44.6999 27.3109 9.50759 -11.4839 9.50753 -3.51364 GPRESSAVG: 3413000 -18.5299 -45.1724 -12.3187 -44.2845 24.5279 11.1072 -12.0188 8.08368 -2.32399 TIMING: 3413000 CPU: 10851.6, 0.00317147/step Wall: 10851.6, 0.00317147/step, 1.39809 hours remaining, 241.328125 MB of memory in use. ENERGY: 3413000 4018.0043 20432.4582 14506.2648 254.7946 -203602.5672 2610.9844 0.0000 0.0000 52311.0018 -109469.0591 300.6320 -161780.0609 -109109.6300 299.2418 16.6576 48.0916 759700.8252 1.0710 1.2247 PRESSURE: 3413200 -108.676 -29.1019 201.881 -29.1019 196.319 -11.693 201.881 -11.6934 213.482 GPRESSURE: 3413200 -50.5464 -56.2809 304.561 -11.9357 277.817 -69.1105 101.532 -164.07 177.002 PRESSAVG: 3413200 15.3503 -64.894 -4.3852 -64.894 -13.5346 -24.2513 -4.3852 -24.2513 10.0056 GPRESSAVG: 3413200 13.7254 -65.2853 -4.29095 -66.0364 -11.0769 -26.8014 -6.41895 -22.3061 9.29437 TIMING: 3413200 CPU: 10852.2, 0.00317203/step Wall: 10852.2, 0.00317203/step, 1.39816 hours remaining, 241.328125 MB of memory in use. ENERGY: 3413200 3969.9713 20408.9678 14598.2968 248.5947 -203421.0576 2555.2614 0.0000 0.0000 52160.4054 -109479.5602 299.7666 -161639.9656 -109126.7782 299.5383 100.3749 134.7573 758988.9104 3.9404 3.9810 PRESSURE: 3413400 247.91 -3.95595 54.4932 -3.95496 -97.9221 -64.2391 54.4938 -64.2389 -39.4769 GPRESSURE: 3413400 292.967 12.3809 78.5622 23.961 -71.8078 -49.5395 37.2751 -83.0442 -6.7515 PRESSAVG: 3413400 -15.5375 26.3456 17.1017 26.3456 1.89656 -13.1317 17.1017 -13.1317 4.49128 GPRESSAVG: 3413400 -14.9361 27.2587 17.829 25.8589 0.899791 -12.2158 17.1706 -12.6431 4.96131 TIMING: 3413400 CPU: 10852.8, 0.00314152/step Wall: 10852.8, 0.00314153/step, 1.38454 hours remaining, 241.328125 MB of memory in use. ENERGY: 3413400 4013.1075 20402.5156 14536.9092 242.1450 -203271.0067 2710.4367 0.0000 0.0000 51833.8377 -109532.0549 297.8898 -161365.8927 -109178.8120 299.1831 36.8369 71.4694 760879.7627 -3.0499 -3.0250 PRESSURE: 3413600 424.775 78.3999 182.732 78.3996 -125.208 -36.4453 182.732 -36.4452 159.737 GPRESSURE: 3413600 436.077 122.956 209.789 64.7043 -24.7434 -37.311 196.802 35.8762 156.027 PRESSAVG: 3413600 21.6564 -12.5591 -19.6357 -12.5591 -41.0485 -1.7363 -19.6357 -1.73633 -5.59996 GPRESSAVG: 3413600 21.9211 -13.069 -21.1443 -10.6395 -39.6002 -1.6534 -19.5838 -4.06874 -6.81594 TIMING: 3413600 CPU: 10853.5, 0.00314661/step Wall: 10853.5, 0.00314661/step, 1.38661 hours remaining, 241.328125 MB of memory in use. ENERGY: 3413600 3948.7814 20535.8226 14568.0246 252.1582 -203319.0126 2593.4763 0.0000 0.0000 52011.6022 -109409.1471 298.9114 -161420.7494 -109059.7611 299.3659 153.1009 189.1202 760334.9721 -8.3307 -8.1650 PRESSURE: 3413800 -53.7625 -234.601 -54.2329 -234.6 -428.451 -13.4204 -54.2331 -13.4218 43.0802 GPRESSURE: 3413800 31.3072 -149.43 -11.3557 -200.956 -331.454 74.1623 28.9863 -29.6189 -59.8252 PRESSAVG: 3413800 111.454 11.5737 43.0964 11.5737 -85.2481 26.8501 43.0963 26.8501 -12.4348 GPRESSAVG: 3413800 111.881 12.4987 44.0483 9.41288 -86.3207 25.3806 46.0326 29.9376 -11.5687 TIMING: 3413800 CPU: 10854.1, 0.00313725/step Wall: 10854.1, 0.00313725/step, 1.38231 hours remaining, 241.328125 MB of memory in use. ENERGY: 3413800 4012.5561 20660.6410 14526.3365 248.8822 -203325.0002 2333.3610 0.0000 0.0000 52305.0451 -109238.1783 300.5978 -161543.2234 -108883.1837 299.5926 -146.3778 -119.9905 759123.6773 4.5905 4.6638 PRESSURE: 3414000 -42.0011 -85.6488 97.5761 -85.6496 148.263 -7.53348 97.5746 -7.53412 4.45966 GPRESSURE: 3414000 33.1444 -72.3842 118.587 -268.922 60.4381 -58.2537 50.9053 -9.24673 103.508 PRESSAVG: 3414000 33.292 -33.4025 -40.064 -33.4025 -52.1386 16.9809 -40.0639 16.9809 3.746 GPRESSAVG: 3414000 33.7771 -34.2467 -40.4862 -33.3281 -52.8958 16.4941 -42.461 16.4166 3.56666 TIMING: 3414000 CPU: 10854.7, 0.00314207/step Wall: 10854.7, 0.00314207/step, 1.38426 hours remaining, 241.328125 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: 3414000 3946.2034 20587.0255 14506.9961 238.5252 -203227.8636 2618.9368 0.0000 0.0000 52221.5286 -109108.6479 300.1178 -161330.1765 -108757.1441 300.3090 36.9071 65.6969 760689.3891 -5.0336 -5.1840 PRESSURE: 3414200 140.888 -77.1324 75.7642 -77.1322 -256.99 -247.243 75.7636 -247.244 -347.168 GPRESSURE: 3414200 79.4421 -88.3021 134.899 0.264383 -163.564 -193.619 -20.4987 -186.033 -283.508 PRESSAVG: 3414200 55.435 -31.492 33.6116 -31.492 -44.6162 12.1916 33.6116 12.1915 9.88294 GPRESSAVG: 3414200 54.5091 -34.7779 33.3564 -29.1133 -43.2094 12.4242 35.875 9.02631 9.98304 TIMING: 3414200 CPU: 10855.3, 0.00316367/step Wall: 10855.3, 0.00316367/step, 1.39359 hours remaining, 241.328125 MB of memory in use. ENERGY: 3414200 4007.3332 20567.2790 14529.9339 233.3046 -203208.8948 2261.4655 0.0000 0.0000 52011.8002 -109597.7784 298.9125 -161609.5786 -109248.3974 299.9052 -154.4233 -122.5432 759332.0329 6.9006 7.0942 PRESSURE: 3414400 2.04117 -3.87718 -73.6896 -3.8773 27.0531 25.9801 -73.6898 25.9806 -138.804 GPRESSURE: 3414400 101.489 111.371 16.9944 -20.1264 -56.1654 -54.434 -244.343 115.468 -60.9963 PRESSAVG: 3414400 0.11861 -1.11169 -8.48238 -1.11175 -17.0086 28.1635 -8.48243 28.1635 -9.43837 GPRESSAVG: 3414400 0.258344 1.77155 -6.62843 -2.04559 -18.445 28.4911 -11.0339 29.5323 -8.41929 TIMING: 3414400 CPU: 10856, 0.00316081/step Wall: 10856, 0.00316081/step, 1.39216 hours remaining, 241.328125 MB of memory in use. ENERGY: 3414400 3836.7074 20566.0291 14462.9337 230.0464 -203454.0790 2651.6675 0.0000 0.0000 52085.9402 -109620.7546 299.3386 -161706.6948 -109260.3373 298.6405 -36.5701 -5.2244 759558.2898 -8.7761 -8.8687 PRESSURE: 3414600 -23.8156 -47.1624 -39.2512 -47.1619 -180.239 104.519 -39.251 104.519 271.374 GPRESSURE: 3414600 1.28462 77.4722 0.780889 -104.085 -137.467 22.1229 -37.5443 55.4548 306.878 PRESSAVG: 3414600 55.6299 -26.379 -23.4966 -26.379 -62.009 -17.4958 -23.4966 -17.4958 -6.88097 GPRESSAVG: 3414600 56.8009 -25.755 -24.8517 -26.7002 -62.7616 -18.7497 -21.7878 -17.411 -8.25219 TIMING: 3414600 CPU: 10856.6, 0.00314663/step Wall: 10856.6, 0.00314663/step, 1.38574 hours remaining, 241.328125 MB of memory in use. ENERGY: 3414600 3958.6088 20361.1288 14493.9344 245.5488 -203355.2680 2576.5962 0.0000 0.0000 52212.0448 -109507.4063 300.0633 -161719.4511 -109156.8461 299.0830 22.4398 56.8986 759536.2433 -4.4201 -4.7376 PRESSURE: 3414800 388.327 21.5387 -37.928 21.5385 -261.237 -165.447 -37.9284 -165.447 53.2614 GPRESSURE: 3414800 341.754 130.17 2.17429 129.844 -242.286 -86.6705 90.516 -190.81 181.126 PRESSAVG: 3414800 68.7045 -0.110425 -13.647 -0.110423 -58.9121 3.12493 -13.6471 3.1249 -5.64867 GPRESSAVG: 3414800 67.2016 0.441362 -13.5073 -0.376197 -58.2996 5.35717 -12.2715 3.55417 -5.2182 TIMING: 3414800 CPU: 10857.2, 0.00315317/step Wall: 10857.2, 0.00315317/step, 1.38845 hours remaining, 241.328125 MB of memory in use. ENERGY: 3414800 4036.6143 20492.4612 14481.6905 241.4986 -202803.7285 2266.6541 0.0000 0.0000 51896.8358 -109387.9740 298.2518 -161284.8098 -109030.1536 299.4269 60.1172 93.5313 761111.7782 1.3812 1.2279 PRESSURE: 3415000 218.041 17.8877 183.445 17.8869 -60.8279 133.975 183.444 133.976 -29.3582 GPRESSURE: 3415000 199.164 -48.5379 261.618 56.962 -35.1226 122.256 182.338 31.6516 23.5463 PRESSAVG: 3415000 65.4164 21.9205 -14.6433 21.9205 -34.025 33.4126 -14.6433 33.4125 6.92786 GPRESSAVG: 3415000 64.933 21.8627 -13.6579 20.3899 -31.9201 32.3857 -17.3172 33.1776 6.07329 TIMING: 3415000 CPU: 10857.9, 0.00313428/step Wall: 10857.9, 0.00313428/step, 1.37995 hours remaining, 241.328125 MB of memory in use. ENERGY: 3415000 3948.8275 20600.3602 14479.4618 254.6384 -203156.9553 2421.1196 0.0000 0.0000 52011.6670 -109440.8809 298.9118 -161452.5479 -109072.3783 299.2682 42.6182 62.5293 759881.8029 12.7731 13.0287 PRESSURE: 3415200 -144.49 -87.4591 -106.238 -87.4593 -246.531 -19.1051 -106.238 -19.1047 141.448 GPRESSURE: 3415200 4.85017 -165.747 -107.149 -59.7673 -258.635 9.6025 14.385 14.7593 77.2821 PRESSAVG: 3415200 25.1727 -11.3817 -1.79827 -11.3817 -46.2594 -37.4345 -1.79824 -37.4345 19.8377 GPRESSAVG: 3415200 26.5051 -13.2197 -4.25937 -11.1551 -48.2174 -37.4357 0.292866 -38.0968 20.6379 TIMING: 3415200 CPU: 10858.5, 0.00314496/step Wall: 10858.5, 0.00314496/step, 1.38448 hours remaining, 241.328125 MB of memory in use. ENERGY: 3415200 3974.2808 20541.7865 14465.3564 257.2876 -203114.4047 2296.4928 0.0000 0.0000 52088.2489 -109490.9516 299.3519 -161579.2005 -109122.3537 299.5562 -83.1910 -58.8343 760877.2020 -0.4163 -0.3582 PRESSURE: 3415400 248.678 -36.9287 -82.6652 -36.9292 77.4302 -165.556 -82.666 -165.555 65.468 GPRESSURE: 3415400 258.101 56.3762 -90.4192 0.282135 134.95 -121.896 -152.001 -184.158 80.8948 PRESSAVG: 3415400 31.8882 -48.0555 -7.7043 -48.0556 -70.9948 29.2962 -7.70426 29.2963 -9.75793 GPRESSAVG: 3415400 32.4846 -47.7361 -4.75691 -46.4425 -70.3399 29.0247 -8.9896 30.0623 -10.8334 TIMING: 3415400 CPU: 10859.1, 0.00313117/step Wall: 10859.1, 0.00313117/step, 1.37824 hours remaining, 241.328125 MB of memory in use. ENERGY: 3415400 3953.1509 20490.7818 14477.2756 250.0776 -203169.5246 2421.7631 0.0000 0.0000 52247.2045 -109329.2711 300.2654 -161576.4756 -108970.9630 299.6022 130.5254 157.9818 759982.6512 -16.2882 -16.2296 PRESSURE: 3415600 -208.473 106.694 -83.912 106.693 -174.059 139.729 -83.9119 139.728 289.698 GPRESSURE: 3415600 -88.2034 110.054 -96.5973 144.521 -199.405 145.362 -32.8605 180.747 294.831 PRESSAVG: 3415600 41.3698 -9.55841 53.6049 -9.55839 -23.739 -11.0634 53.605 -11.0633 4.08733 GPRESSAVG: 3415600 40.6484 -9.1044 51.9414 -11.2943 -23.9975 -11.5745 52.1509 -11.1345 5.32538 TIMING: 3415600 CPU: 10859.7, 0.00314347/step Wall: 10859.7, 0.00314347/step, 1.38348 hours remaining, 241.328125 MB of memory in use. ENERGY: 3415600 3901.8480 20346.6630 14508.4434 264.0744 -202972.2262 2331.7215 0.0000 0.0000 52232.0911 -109387.3849 300.1785 -161619.4759 -109023.5110 299.4681 -30.9450 2.4075 761600.5710 7.2394 7.3254 PRESSURE: 3415800 -140.988 -7.12656 -88.7632 -7.12649 -64.9061 -30.8173 -88.7636 -30.8169 -350.95 GPRESSURE: 3415800 -202.625 -29.5692 -135.45 42.6535 11.7554 6.88685 -106.183 -32.0088 -284.789 PRESSAVG: 3415800 21.2932 22.6881 18.0178 22.6881 -35.0156 -10.3652 18.0179 -10.3652 14.1819 GPRESSAVG: 3415800 21.7844 23.074 17.1947 22.572 -35.0913 -10.9734 19.756 -9.82483 13.4415 TIMING: 3415800 CPU: 10860.4, 0.00316197/step Wall: 10860.4, 0.00316197/step, 1.39144 hours remaining, 241.328125 MB of memory in use. ENERGY: 3415800 4009.7646 20665.5098 14466.1808 225.1051 -203004.1317 2315.5372 0.0000 0.0000 51861.7385 -109460.2958 298.0501 -161322.0343 -109103.8266 299.5060 -185.6148 -158.5527 761069.4456 0.1532 0.0449 PRESSURE: 3416000 -372.473 7.56206 347.143 7.56329 -140.632 -195.568 347.143 -195.569 -134.587 GPRESSURE: 3416000 -346.569 35.4102 301.121 -20.2294 -159.041 -171.159 274.206 -251.522 -69.7607 PRESSAVG: 3416000 -7.49744 13.946 61.368 13.946 4.41394 -38.5378 61.368 -38.5378 -12.8283 GPRESSAVG: 3416000 -8.30574 13.8569 62.2853 15.5597 4.11247 -37.1868 61.0601 -39.8355 -11.9262 TIMING: 3416000 CPU: 10861, 0.00315582/step Wall: 10861, 0.00315582/step, 1.38856 hours remaining, 241.328125 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: 3416000 4065.0667 20492.4845 14519.8318 253.2304 -202896.4515 2208.4804 0.0000 0.0000 52205.7228 -109151.6350 300.0270 -161357.3578 -108791.2084 299.6016 -215.8974 -191.7904 761007.4294 -5.3039 -5.3731 PRESSURE: 3416200 -253.552 110.52 -173.306 110.52 99.8498 142.303 -173.306 142.303 -194.03 GPRESSURE: 3416200 -151.192 71.6556 -120.485 84.4988 128.945 107.066 -183.411 147.631 -237.004 PRESSAVG: 3416200 2.49352 -6.51483 30.218 -6.51481 0.588382 6.04452 30.218 6.04454 7.29421 GPRESSAVG: 3416200 3.74916 -7.59895 30.8602 -6.65732 -0.565421 6.12146 30.1291 6.62357 6.69208 TIMING: 3416200 CPU: 10861.6, 0.00313866/step Wall: 10861.6, 0.00313866/step, 1.38084 hours remaining, 241.328125 MB of memory in use. ENERGY: 3416200 3953.3771 20326.3429 14478.3884 265.2814 -203024.6688 2236.9323 0.0000 0.0000 52384.1438 -109380.2028 301.0524 -161764.3466 -109010.6519 300.0266 -115.9110 -86.4169 760661.3751 3.4587 3.2919 LDB: ============= START OF LOAD BALANCING ============== 10874.1 LDB: ============== END OF LOAD BALANCING =============== 10874.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10874.1 LDB: ============= START OF LOAD BALANCING ============== 10874.4 LDB: Largest compute 7070 load 0.036066 is 18.5% of average load 0.195460 LDB: Average compute 0.004384 is 2.2% of average load 0.195460 LDB: TIME 10874.4 LOAD: AVG 0.19546 MAX 0.215784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 10874.4 LOAD: AVG 0.19546 MAX 0.215784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 10874.4 LOAD: AVG 0.19546 MAX 0.215784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 10874.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10874.4 PRESSURE: 3416400 -99.9891 -231.549 -216.605 -231.548 -67.5674 264.741 -216.603 264.742 -23.9807 GPRESSURE: 3416400 -64.7975 -112.097 -238.271 -219.799 -45.9829 190.437 -16.616 331.903 24.7588 PRESSAVG: 3416400 -31.1423 -37.382 20.749 -37.382 66.7703 -9.73483 20.749 -9.73486 4.65846 GPRESSAVG: 3416400 -32.6179 -35.0095 19.8138 -39.7543 67.8583 -11.1209 23.5657 -7.91752 5.22666 TIMING: 3416400 CPU: 10862.3, 0.00322096/step Wall: 10862.3, 0.00322096/step, 1.41686 hours remaining, 240.039062 MB of memory in use. ENERGY: 3416400 4074.4714 20684.4006 14523.9246 244.7653 -203222.3755 2366.7761 0.0000 0.0000 51968.5799 -109359.4575 298.6641 -161328.0374 -109010.3806 300.1301 -63.8457 -28.6739 760525.5671 13.4288 13.4890 PRESSURE: 3416600 -92.8902 25.6011 117.252 25.6013 87.0146 88.6833 117.252 88.6821 -498.408 GPRESSURE: 3416600 -147.18 -19.5364 182.098 116.409 166.44 97.4347 124.362 71.6154 -443.723 PRESSAVG: 3416600 10.0825 -19.4166 5.44932 -19.4166 25.4359 -44.7457 5.44939 -44.7457 -14.896 GPRESSAVG: 3416600 8.95106 -20.9089 5.63545 -17.7645 25.6161 -44.0417 4.78948 -46.6667 -14.6258 TIMING: 3416600 CPU: 10862.9, 0.00314365/step Wall: 10862.9, 0.00314365/step, 1.38268 hours remaining, 240.039062 MB of memory in use. ENERGY: 3416600 4056.8359 20634.1836 14549.4251 239.3854 -202916.1026 2389.6711 0.0000 0.0000 51894.1267 -109152.4748 298.2363 -161046.6015 -108797.7206 300.1599 -168.0946 -141.4878 759804.9304 6.8742 6.6471 PRESSURE: 3416800 -11.0706 52.1506 353.826 52.1508 168.487 -23.7696 353.826 -23.7687 -15.7294 GPRESSURE: 3416800 27.2279 21.66 373.723 14.7625 167.607 -23.4528 232.559 -118.227 23.7065 PRESSAVG: 3416800 9.78442 -4.07015 65.5857 -4.07013 36.1387 -5.95311 65.5858 -5.95311 8.16426 GPRESSAVG: 3416800 10.7911 -3.66117 64.6723 -5.31014 35.9836 -5.76595 62.5935 -6.71541 7.60216 TIMING: 3416800 CPU: 10863.5, 0.00314416/step Wall: 10863.5, 0.00314416/step, 1.38273 hours remaining, 240.039062 MB of memory in use. ENERGY: 3416800 3983.1804 20433.6901 14569.1145 286.1083 -203050.4097 2323.2050 0.0000 0.0000 52045.1273 -109409.9841 299.1041 -161455.1114 -109046.1064 299.8189 47.2291 72.8473 760292.7939 18.0291 18.1256 PRESSURE: 3417000 56.1828 175.686 20.2938 175.686 31.645 -50.0174 20.2937 -50.0162 -48.4657 GPRESSURE: 3417000 96.2873 237.643 -2.28181 152.786 19.0469 -108.424 113.216 154.512 -7.77394 PRESSAVG: 3417000 -15.4485 15.5273 4.47728 15.5273 -31.8318 7.221 4.47733 7.22107 -16.3702 GPRESSAVG: 3417000 -15.1467 18.5124 3.9432 16.7722 -32.2853 8.35678 7.1991 8.59884 -16.0357 TIMING: 3417000 CPU: 10864.2, 0.00313781/step Wall: 10864.2, 0.00313781/step, 1.37976 hours remaining, 240.039062 MB of memory in use. ENERGY: 3417000 3915.2925 20649.1717 14459.7522 249.5152 -203204.1481 2367.4991 0.0000 0.0000 52111.2303 -109451.6871 299.4840 -161562.9174 -109089.1676 299.6549 13.1207 35.8534 761601.4906 -21.2168 -21.1559 PRESSURE: 3417200 228.53 -93.9206 -78.7903 -93.9208 356.054 162.56 -78.7898 162.562 -46.4174 GPRESSURE: 3417200 195.093 -57.9232 -53.9176 21.8355 364.022 166.688 30.9767 53.7949 80.2385 PRESSAVG: 3417200 5.17596 -16.1762 23.6233 -16.1763 33.3277 -20.2548 23.6232 -20.2548 19.242 GPRESSAVG: 3417200 4.82393 -17.8175 24.3033 -16.7763 34.0404 -21.0394 22.5276 -20.8164 19.1708 TIMING: 3417200 CPU: 10864.8, 0.00316128/step Wall: 10864.8, 0.00316128/step, 1.38991 hours remaining, 240.039062 MB of memory in use. ENERGY: 3417200 3942.3289 20448.5210 14515.1043 244.3494 -203518.0157 2687.7898 0.0000 0.0000 52182.6852 -109497.2372 299.8946 -161679.9224 -109138.3902 299.5015 179.3889 213.1178 758536.6261 19.2485 19.3450 PRESSURE: 3417400 150.86 -4.31979 -54.3741 -4.3208 134.82 66.3896 -54.3741 66.3907 6.12181 GPRESSURE: 3417400 156.448 30.4525 -74.0617 -85.32 190.17 -25.2766 22.0666 107.093 33.1545 PRESSAVG: 3417400 -15.854 6.89633 -45.1617 6.89633 0.403092 14.2466 -45.1617 14.2466 -3.08054 GPRESSAVG: 3417400 -15.773 7.42751 -44.3083 6.09241 0.353759 14.6933 -47.1446 14.4629 -3.15029 TIMING: 3417400 CPU: 10865.4, 0.0031341/step Wall: 10865.4, 0.0031341/step, 1.37779 hours remaining, 240.039062 MB of memory in use. ENERGY: 3417400 3977.5920 20511.4874 14445.4764 241.8784 -203249.4765 2520.4275 0.0000 0.0000 52163.2677 -109389.3470 299.7830 -161552.6147 -109017.8713 300.0173 97.2673 126.5908 759681.8093 -6.1771 -6.1898 PRESSURE: 3417600 -441.439 197.808 174.944 197.808 11.2628 120.688 174.944 120.689 -351.831 GPRESSURE: 3417600 -362.531 290.749 273.226 206.038 -63.5566 138.849 108.442 82.2016 -299.581 PRESSAVG: 3417600 -18.1189 -18.4643 -13.1039 -18.4643 -25.686 52.2201 -13.1039 52.2203 -11.8557 GPRESSAVG: 3417600 -18.1898 -20.0966 -13.2917 -20.3514 -25.8128 50.6371 -11.7597 51.2501 -12.0879 TIMING: 3417600 CPU: 10866, 0.00312423/step Wall: 10866, 0.00312423/step, 1.37327 hours remaining, 240.039062 MB of memory in use. ENERGY: 3417600 3970.1296 20552.9420 14435.2006 225.4101 -203015.3673 2165.0614 0.0000 0.0000 52069.0699 -109597.5536 299.2417 -161666.6235 -109227.9845 299.4599 -260.6688 -241.8893 761602.4982 -18.5535 -18.6968 PRESSURE: 3417800 -263.697 134.067 8.13203 134.067 -364.139 162.611 8.13241 162.611 -73.3139 GPRESSURE: 3417800 -264.766 93.2355 76.9621 117.929 -325.38 144.361 52.197 132.938 -5.82629 PRESSAVG: 3417800 -3.03065 -21.8755 -34.5662 -21.8756 -23.2146 60.9527 -34.5662 60.9526 4.64818 GPRESSAVG: 3417800 -3.74568 -21.9398 -34.0642 -20.2021 -23.1179 61.3628 -33.2985 59.9761 5.58577 TIMING: 3417800 CPU: 10866.7, 0.00314353/step Wall: 10866.7, 0.00314353/step, 1.38158 hours remaining, 240.039062 MB of memory in use. ENERGY: 3417800 3924.6472 20643.9344 14494.8611 224.5795 -203246.3419 2517.8015 0.0000 0.0000 51998.6301 -109441.8880 298.8368 -161440.5182 -109088.4223 299.1144 -233.7166 -198.6575 761460.9281 -7.1990 -7.0926 PRESSURE: 3418000 53.8803 -103.657 34.6352 -103.657 242.703 33.2195 34.6358 33.2191 310.678 GPRESSURE: 3418000 131.155 -3.0002 -4.30098 -98.8198 231.061 118.612 25.4768 71.4361 318.037 PRESSAVG: 3418000 -22.4853 -31.201 -30.5626 -31.201 7.58156 -15.6124 -30.5627 -15.6125 25.6543 GPRESSAVG: 3418000 -22.3091 -30.9891 -30.0679 -31.254 7.52675 -14.7089 -32.8629 -15.6863 25.3779 TIMING: 3418000 CPU: 10867.3, 0.00314303/step Wall: 10867.3, 0.00314303/step, 1.38119 hours remaining, 240.039062 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: 3418000 3912.0407 20520.7748 14442.4169 255.2157 -203556.1557 2722.4111 0.0000 0.0000 52156.5555 -109546.7410 299.7444 -161703.2965 -109188.1354 299.7490 202.4205 226.7509 761172.0674 3.5835 3.5319 PRESSURE: 3418200 117.893 -120.36 36.3811 -120.36 -248.871 77.89 36.3814 77.89 -281.219 GPRESSURE: 3418200 90.7794 -135.415 141.271 -163.318 -107.522 106.136 -79.369 53.2742 -305.073 PRESSAVG: 3418200 -23.2642 -13.1532 -35.3935 -13.1532 -6.20319 19.4048 -35.3935 19.4049 -13.0268 GPRESSAVG: 3418200 -22.7537 -13.704 -37.1886 -12.106 -6.21803 17.2585 -34.8989 22.4514 -13.3127 TIMING: 3418200 CPU: 10867.9, 0.00313197/step Wall: 10867.9, 0.00313197/step, 1.37615 hours remaining, 240.039062 MB of memory in use. ENERGY: 3418200 4054.9498 20540.1631 14436.6640 249.9244 -203169.2291 2568.1011 0.0000 0.0000 51777.0523 -109542.3744 297.5634 -161319.4267 -109197.3738 299.5932 -137.3992 -107.2718 760545.7032 -14.1647 -14.0948 PRESSURE: 3418400 -200.157 -29.7277 -141.546 -29.7269 -8.53616 -139.87 -141.546 -139.869 -451.197 GPRESSURE: 3418400 -250.835 -46.6994 -147.843 -69.5974 130.23 -151.276 -117.906 -111.345 -457.577 PRESSAVG: 3418400 -19.502 -5.68281 45.2247 -5.68283 33.1779 14.9744 45.2248 14.9743 -0.879768 GPRESSAVG: 3418400 -20.2628 -3.94882 45.664 -6.27037 34.0369 16.3407 46.139 12.9405 -1.02589 TIMING: 3418400 CPU: 10868.6, 0.00313506/step Wall: 10868.6, 0.00313506/step, 1.37734 hours remaining, 240.039062 MB of memory in use. ENERGY: 3418400 4000.3873 20522.4068 14475.1472 238.2899 -202873.5758 2152.5714 0.0000 0.0000 52136.2346 -109348.5386 299.6277 -161484.7732 -108990.0850 299.8689 -219.9635 -192.7274 760313.2325 4.2654 4.2494 PRESSURE: 3418600 -58.2122 -235.301 287.865 -235.301 -21.5881 -47.5389 287.866 -47.5387 -239.132 GPRESSURE: 3418600 29.1623 -170.083 201.201 -242.564 -46.0981 -72.6736 199.5 -70.7776 -228.451 PRESSAVG: 3418600 15.6294 20.3885 2.30202 20.3885 -1.18572 -11.315 2.30196 -11.315 1.04849 GPRESSAVG: 3418600 16.4444 18.95 2.66803 20.4885 -2.1847 -12.5297 1.75673 -10.851 1.09787 TIMING: 3418600 CPU: 10869.2, 0.00314871/step Wall: 10869.2, 0.00314871/step, 1.38316 hours remaining, 240.039062 MB of memory in use. ENERGY: 3418600 3924.0319 20612.2233 14513.5098 231.5639 -203315.2624 2366.5175 0.0000 0.0000 52206.7623 -109460.6535 300.0330 -161667.4158 -109099.3998 299.3854 -106.3106 -81.7955 760472.2081 5.1641 5.1192 PRESSURE: 3418800 -308.754 206.278 -125.588 206.277 144.844 -89.6748 -125.588 -89.6753 159.932 GPRESSURE: 3418800 -256.926 89.9539 -104.635 221.878 155.402 -65.8488 -159.229 -173.064 199.614 PRESSAVG: 3418800 -19.6413 12.7433 -19.2361 12.7432 28.4747 -80.4023 -19.2361 -80.4022 5.37857 GPRESSAVG: 3418800 -19.3656 14.4274 -19.3109 11.388 28.0965 -79.321 -19.178 -82.1647 5.85485 TIMING: 3418800 CPU: 10869.8, 0.00315673/step Wall: 10869.8, 0.00315673/step, 1.38651 hours remaining, 240.039062 MB of memory in use. ENERGY: 3418800 3998.2917 20450.3987 14463.2741 280.1642 -203289.1767 2398.4393 0.0000 0.0000 51795.0148 -109903.5939 297.6667 -161698.6087 -109552.1273 299.2819 -1.3263 32.6967 760851.4164 4.7373 4.8619 PRESSURE: 3419000 -209.75 -119.574 203.28 -119.574 79.8142 264.895 203.279 264.895 385.446 GPRESSURE: 3419000 -49.4601 -67.8723 252.351 -103.27 86.0551 280.906 127.694 273.188 304.519 PRESSAVG: 3419000 -17.7366 -6.01832 -15.4279 -6.01828 -1.64918 2.27783 -15.4279 2.27778 -35.112 GPRESSAVG: 3419000 -17.7559 -8.07469 -16.8772 -3.53475 -1.82101 3.41634 -14.4931 3.03652 -35.2475 TIMING: 3419000 CPU: 10870.4, 0.00312754/step Wall: 10870.4, 0.00312754/step, 1.37351 hours remaining, 240.039062 MB of memory in use. ENERGY: 3419000 4023.7773 20544.2971 14430.1095 262.2404 -203249.3215 2291.5456 0.0000 0.0000 51969.6041 -109727.7474 298.6700 -161697.3516 -109363.7768 298.4375 85.1701 113.7046 760762.3949 -18.1659 -18.2748 PRESSURE: 3419200 -35.9974 152.679 306.097 152.679 -20.5628 128.665 306.098 128.664 -59.6436 GPRESSURE: 3419200 20.6397 207.197 294.1 113.427 32.0124 101.24 141.177 5.61605 -78.1686 PRESSAVG: 3419200 -34.8871 13.4822 17.1163 13.4823 56.2678 14.8613 17.1162 14.8613 -5.29155 GPRESSAVG: 3419200 -35.3466 15.0315 16.8331 10.9219 57.0989 14.5789 17.2041 13.5595 -5.66231 TIMING: 3419200 CPU: 10871.1, 0.00315157/step Wall: 10871.1, 0.00315157/step, 1.38389 hours remaining, 240.039062 MB of memory in use. ENERGY: 3419200 3998.7885 20332.8316 14428.2835 266.2258 -203114.1610 2428.5638 0.0000 0.0000 51811.6219 -109847.8460 297.7621 -161659.4679 -109500.3081 298.5662 -38.7346 -8.5055 761275.9230 5.3631 5.3633 PRESSURE: 3419400 -232.273 -8.95971 -0.133595 -8.95949 137.238 -333.566 -0.133224 -333.566 140.758 GPRESSURE: 3419400 -255.108 -120.846 58.6733 10.1534 247.897 -248.276 -130.48 -235.443 140.098 PRESSAVG: 3419400 3.50641 -15.4225 -13.4814 -15.4226 -29.365 25.2462 -13.4814 25.2461 -11.512 GPRESSAVG: 3419400 3.53781 -15.7437 -11.5153 -15.7243 -30.1085 24.803 -14.6556 25.3227 -11.058 TIMING: 3419400 CPU: 10871.7, 0.00314421/step Wall: 10871.7, 0.00314421/step, 1.38048 hours remaining, 240.039062 MB of memory in use. ENERGY: 3419400 3886.7358 20524.4688 14392.0238 259.6896 -203372.2508 2553.4161 0.0000 0.0000 51947.0399 -109808.8769 298.5404 -161755.9168 -109449.7369 298.3571 15.2413 44.2957 761163.8945 -12.4569 -12.5429 PRESSURE: 3419600 -139.202 55.847 210.331 55.846 -184.388 -0.832656 210.331 -0.831656 324.726 GPRESSURE: 3419600 -58.7774 2.10144 140.222 4.772 -139.019 -50.728 136.579 -104.006 258.465 PRESSAVG: 3419600 8.01267 -58.1478 52.393 -58.1478 -19.1227 20.7186 52.3931 20.7185 13.6516 GPRESSAVG: 3419600 7.62561 -58.5796 51.1332 -54.8863 -17.7873 20.9713 53.3162 23.1246 13.119 TIMING: 3419600 CPU: 10872.3, 0.00317347/step Wall: 10872.3, 0.00317347/step, 1.39315 hours remaining, 240.039062 MB of memory in use. ENERGY: 3419600 3955.4742 20433.1834 14462.1471 247.7356 -203209.6607 2481.2165 0.0000 0.0000 51955.7136 -109674.1902 298.5902 -161629.9038 -109316.7256 298.3420 0.3788 20.2229 761524.7546 0.8472 0.9858 PRESSURE: 3419800 -38.7841 -99.3166 65.5743 -99.316 -132.226 188.995 65.5748 188.994 -78.9008 GPRESSURE: 3419800 -17.0234 -62.0324 112.807 -48.9082 -87.605 180.555 68.9425 184.21 -64.9149 PRESSAVG: 3419800 24.3293 -0.147184 9.08153 -0.147102 -26.0401 28.2949 9.08157 28.2949 -15.1659 GPRESSAVG: 3419800 26.0779 -0.255426 9.70338 -1.03418 -27.7949 26.9327 6.02554 29.3872 -14.857 TIMING: 3419800 CPU: 10873, 0.00313894/step Wall: 10873, 0.00313894/step, 1.37782 hours remaining, 240.039062 MB of memory in use. ENERGY: 3419800 3987.2142 20643.7979 14559.0847 270.5300 -203576.1174 2605.8875 0.0000 0.0000 51917.7778 -109591.8254 298.3722 -161509.6031 -109232.0705 298.5855 -83.3035 -56.5144 761219.0128 -5.6256 -5.5247 PRESSURE: 3420000 97.5579 -112.685 163.321 -112.686 192.544 50.6359 163.32 50.636 104.046 GPRESSURE: 3420000 204.34 -42.2399 126.025 -29.5278 249.219 -32.6452 200.842 49.7036 31.7858 PRESSAVG: 3420000 -33.9163 -37.3281 9.98824 -37.3281 16.8077 -7.117 9.98814 -7.11701 2.9265 GPRESSAVG: 3420000 -35.2813 -36.9572 8.44519 -36.8116 18.5843 -7.0637 12.9997 -6.43977 2.13097 TIMING: 3420000 CPU: 10873.6, 0.00314231/step Wall: 10873.6, 0.00314231/step, 1.37913 hours remaining, 240.039062 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: 3420000 3966.0886 20528.1918 14514.7068 253.2724 -203155.9969 2461.8029 0.0000 0.0000 51793.6118 -109638.3227 297.6586 -161431.9344 -109276.9466 299.3569 131.3827 161.7813 760289.5192 -4.7274 -4.8553 PRESSURE: 3420200 -32.7675 0.996036 76.874 0.995633 -69.2069 -116.767 76.8737 -116.767 -437.067 GPRESSURE: 3420200 5.17305 -38.2286 23.1947 29.3651 -40.4284 -149.416 82.8425 -104.112 -417.686 PRESSAVG: 3420200 6.33945 -14.6323 -17.2423 -14.6323 7.79957 -17.8117 -17.2424 -17.8116 8.18829 GPRESSAVG: 3420200 5.3839 -13.7278 -14.9806 -15.2422 7.11805 -18.8877 -16.6588 -18.5041 9.80308 TIMING: 3420200 CPU: 10874.2, 0.003142/step Wall: 10874.2, 0.003142/step, 1.37881 hours remaining, 240.039062 MB of memory in use. ENERGY: 3420200 4001.2529 20319.5448 14545.0629 257.3417 -203285.7544 2511.7784 0.0000 0.0000 51904.6789 -109746.0949 298.2969 -161650.7738 -109381.1781 298.6635 -179.6806 -150.9806 760390.7838 7.4424 7.4350 LDB: ============= START OF LOAD BALANCING ============== 10886.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10886.7 LDB: =============== DONE WITH MIGRATION ================ 10886.7 LDB: ============= START OF LOAD BALANCING ============== 10887 LDB: Largest compute 7031 load 0.033221 is 17.0% of average load 0.195367 LDB: Average compute 0.004358 is 2.2% of average load 0.195367 LDB: TIME 10887 LOAD: AVG 0.195367 MAX 0.213989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 10887 LOAD: AVG 0.195367 MAX 0.213989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: TIME 10887 LOAD: AVG 0.195367 MAX 0.213989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: ============== END OF LOAD BALANCING =============== 10887 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10887 PRESSURE: 3420400 -7.03318 -1.13607 224.571 -1.13656 301.169 -358.728 224.571 -358.727 40.8111 GPRESSURE: 3420400 37.0476 24.369 250.141 -30.8735 305.235 -345.599 56.2978 -285.578 67.0831 PRESSAVG: 3420400 -21.7634 -35.6654 -22.2793 -35.6654 4.46161 2.3937 -22.2792 2.39373 1.24846 GPRESSAVG: 3420400 -19.5182 -37.6172 -23.4801 -35.1873 3.57951 5.90979 -23.8215 1.82784 -0.427205 TIMING: 3420400 CPU: 10874.9, 0.00321577/step Wall: 10874.9, 0.00321577/step, 1.41101 hours remaining, 241.117188 MB of memory in use. ENERGY: 3420400 3928.7976 20351.4133 14448.4496 231.3326 -203717.5656 2930.3558 0.0000 0.0000 52055.6721 -109771.5446 299.1647 -161827.2167 -109404.7835 298.6277 111.6490 136.4552 759325.1090 -5.3511 -5.4553 PRESSURE: 3420600 -199.815 211.78 -38.9379 211.779 -178.521 47.2306 -38.9377 47.23 -289.769 GPRESSURE: 3420600 -162.929 234.446 30.6421 257.509 -127.008 68.0315 -72.7294 -51.9611 -270.007 PRESSAVG: 3420600 -27.7513 -16.1866 10.7211 -16.1866 42.6336 38.6067 10.7211 38.6067 -19.436 GPRESSAVG: 3420600 -29.028 -13.8853 11.9723 -17.9891 43.2048 39.0398 12.6587 38.4051 -19.0917 TIMING: 3420600 CPU: 10875.5, 0.00312526/step Wall: 10875.5, 0.00312526/step, 1.37112 hours remaining, 241.117188 MB of memory in use. ENERGY: 3420600 4036.7875 20572.7347 14449.8846 242.3868 -203065.0512 2225.5022 0.0000 0.0000 51788.9584 -109748.7970 297.6319 -161537.7554 -109376.5270 299.2392 -222.7018 -186.6480 759735.2608 -1.5179 -1.6383 PRESSURE: 3420800 -138.901 -90.0556 -215.366 -90.0553 10.4103 -35.5334 -215.367 -35.5349 98.7363 GPRESSURE: 3420800 32.9982 -235.896 -271.62 -123.433 -20.0137 95.5227 -112.22 -89.992 44.0591 PRESSAVG: 3420800 55.9594 14.9428 -8.43396 14.9428 -62.4396 0.564764 -8.43393 0.564739 -8.62533 GPRESSAVG: 3420800 55.6416 14.0564 -8.13791 15.9103 -61.4168 -0.53798 -10.3236 0.160453 -8.30587 TIMING: 3420800 CPU: 10876.1, 0.00314871/step Wall: 10876.1, 0.00314871/step, 1.38123 hours remaining, 241.117188 MB of memory in use. ENERGY: 3420800 3950.4410 20598.8972 14496.6796 246.3058 -203356.5940 2212.9563 0.0000 0.0000 52222.7366 -109628.5775 300.1248 -161851.3141 -109260.3669 299.0098 -9.9182 19.0145 758576.0873 -5.0352 -4.6937 PRESSURE: 3421000 -236.396 68.2344 -11.2907 68.2339 -220.833 25.5503 -11.2908 25.5503 -58.1802 GPRESSURE: 3421000 -141.833 93.2781 -53.394 -94.1416 -215.659 -58.551 -38.922 -92.6248 -83.0063 PRESSAVG: 3421000 44.4325 -16.2018 6.29736 -16.2018 5.87115 -24.1539 6.29731 -24.1539 -18.995 GPRESSAVG: 3421000 46.1986 -15.5251 5.24343 -15.2465 4.31722 -26.8632 6.86392 -22.3269 -18.6198 TIMING: 3421000 CPU: 10876.8, 0.00315171/step Wall: 10876.8, 0.00315171/step, 1.38237 hours remaining, 241.117188 MB of memory in use. ENERGY: 3421000 4062.2267 20535.5408 14425.7762 221.7779 -203559.7977 2351.1359 0.0000 0.0000 52384.3998 -109578.9404 301.0539 -161963.3402 -109212.1906 299.4688 -171.8030 -146.8328 758005.7604 10.4362 10.6320 PRESSURE: 3421200 257.77 -17.4557 -79.4149 -17.4558 293.943 -203.107 -79.4147 -203.107 -21.9421 GPRESSURE: 3421200 304.603 -18.5015 -64.8071 -25.183 324.004 -85.8883 -97.2453 -198.312 11.4214 PRESSAVG: 3421200 63.0479 -31.4721 -24.8429 -31.4721 -75.5763 -8.14764 -24.8429 -8.14772 21.1539 GPRESSAVG: 3421200 62.1201 -29.8503 -24.2339 -32.9005 -74.273 -7.1961 -24.5107 -10.8679 21.4276 TIMING: 3421200 CPU: 10877.4, 0.00313675/step Wall: 10877.4, 0.00313675/step, 1.37564 hours remaining, 241.117188 MB of memory in use. ENERGY: 3421200 3968.9450 20557.0478 14414.3356 242.4210 -203557.1498 2719.0794 0.0000 0.0000 52152.7177 -109502.6032 299.7224 -161655.3210 -109143.3111 299.3744 176.5903 213.3428 757896.3796 2.8752 3.0916 PRESSURE: 3421400 -334.031 -79.3337 48.3403 -79.3338 -486.133 -51.1738 48.3403 -51.1731 -165.284 GPRESSURE: 3421400 -358.967 -78.1983 13.2599 -44.8528 -424.805 56.3185 43.7914 -108.906 -100.011 PRESSAVG: 3421400 19.0586 -50.938 38.6649 -50.938 -51.9888 38.6819 38.6649 38.682 -7.64683 GPRESSAVG: 3421400 19.2863 -52.0386 39.0253 -51.1864 -51.923 39.738 37.2572 40.0171 -8.27462 TIMING: 3421400 CPU: 10878, 0.00312528/step Wall: 10878, 0.00312528/step, 1.37043 hours remaining, 241.117188 MB of memory in use. ENERGY: 3421400 4045.0336 20594.7026 14418.1085 218.8522 -202752.4510 2121.9970 0.0000 0.0000 51850.8857 -109502.8715 297.9878 -161353.7573 -109147.6549 299.4435 -328.4827 -294.5941 759045.1284 -13.5257 -13.6371 PRESSURE: 3421600 -85.9639 14.4386 -47.4757 14.4377 -134.352 125.445 -47.4753 125.445 -477.202 GPRESSURE: 3421600 -6.5311 20.9274 22.6478 -108.55 -218.234 121.704 -61.768 -11.7645 -373.136 PRESSAVG: 3421600 4.28316 -55.6733 85.804 -55.6733 7.74892 32.1625 85.804 32.1624 2.34835 GPRESSAVG: 3421600 3.3341 -55.2187 84.8537 -53.3467 6.32879 32.1887 87.1004 31.7334 4.06372 TIMING: 3421600 CPU: 10878.6, 0.00315465/step Wall: 10878.6, 0.00315465/step, 1.38314 hours remaining, 241.117188 MB of memory in use. ENERGY: 3421600 4088.1675 20483.6790 14429.7420 255.4745 -203151.9060 2240.3367 0.0000 0.0000 52146.8556 -109507.6508 299.6887 -161654.5064 -109150.2668 299.0325 -232.5059 -199.3005 760138.1423 4.7935 4.5755 PRESSURE: 3421800 -75.1859 -84.4073 101.322 -84.4082 106.492 164.435 101.322 164.435 -107.775 GPRESSURE: 3421800 50.3804 -56.3315 15.0529 -29.0749 43.9466 158.963 199.075 91.6767 -83.5227 PRESSAVG: 3421800 -26.7166 -54.0496 32.8076 -54.0497 -3.0755 -13.6156 32.8076 -13.6155 -14.4471 GPRESSAVG: 3421800 -25.4242 -54.804 33.8335 -54.8047 -2.65366 -13.8915 33.4673 -12.8802 -16.1579 TIMING: 3421800 CPU: 10879.3, 0.00313857/step Wall: 10879.3, 0.00313857/step, 1.37591 hours remaining, 241.117188 MB of memory in use. ENERGY: 3421800 3990.6509 20575.7830 14476.2060 270.8431 -203484.1914 2392.0130 0.0000 0.0000 51891.6205 -109887.0748 298.2219 -161778.6953 -109522.8314 299.1857 -25.4896 3.6014 757794.3761 -14.7464 -14.7453 PRESSURE: 3422000 26.159 111.097 -176.314 111.097 152.082 -48.8955 -176.314 -48.8954 283.177 GPRESSURE: 3422000 35.4172 119.35 -245.176 22.403 157.595 -21.4944 -201.539 77.5779 347.829 PRESSAVG: 3422000 -5.17536 -11.2442 -51.4255 -11.2442 -25.0568 9.93112 -51.4255 9.93123 -1.79304 GPRESSAVG: 3422000 -5.98963 -11.546 -52.1692 -11.4685 -24.4481 10.1088 -52.6471 11.0828 -1.35154 TIMING: 3422000 CPU: 10879.9, 0.00313976/step Wall: 10879.9, 0.00313976/step, 1.37626 hours remaining, 241.117188 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: 3422000 3951.0428 20447.3944 14548.6215 235.6486 -203520.2419 2336.4847 0.0000 0.0000 52000.0956 -110000.9542 298.8453 -162001.0498 -109641.5909 298.7572 153.8059 180.2805 758281.3010 -10.6751 -10.5964 PRESSURE: 3422200 145.256 -58.6923 105.162 -58.6915 67.4373 -141.798 105.163 -141.797 42.2382 GPRESSURE: 3422200 105.646 -38.3984 111.565 -47.375 121.055 -158.06 187.029 -202.466 117.585 PRESSAVG: 3422200 42.7501 -33.0904 -6.22411 -33.0904 -74.4597 -49.6775 -6.2241 -49.6775 -7.52562 GPRESSAVG: 3422200 43.0336 -32.8801 -6.52747 -32.0751 -75.2141 -49.8161 -7.9786 -49.975 -7.28139 TIMING: 3422200 CPU: 10880.5, 0.00314223/step Wall: 10880.5, 0.00314223/step, 1.37717 hours remaining, 241.117188 MB of memory in use. ENERGY: 3422200 3971.3987 20521.0221 14432.4615 257.3673 -203573.5040 2353.1307 0.0000 0.0000 51994.2222 -110043.9015 298.8115 -162038.1237 -109691.9657 298.4005 84.9771 114.7620 757431.1356 -13.0784 -13.1540 PRESSURE: 3422400 -241.989 -36.8074 -106.197 -36.8074 -32.1011 -98.1196 -106.198 -98.1193 -61.6242 GPRESSURE: 3422400 -171.81 -29.3045 -121.218 -4.42061 -47.0249 -65.3982 -101.531 -120.137 -36.8903 PRESSAVG: 3422400 26.2378 -35.422 -7.58394 -35.422 -7.35767 1.76783 -7.58385 1.7679 32.9789 GPRESSAVG: 3422400 26.2615 -34.8738 -7.16503 -35.6228 -7.01416 3.32927 -7.38043 0.28282 32.9139 TIMING: 3422400 CPU: 10881.2, 0.00315202/step Wall: 10881.2, 0.00315202/step, 1.38128 hours remaining, 241.117188 MB of memory in use. ENERGY: 3422400 3948.0911 20486.2329 14432.9392 232.4653 -203243.6315 2378.1998 0.0000 0.0000 51888.2410 -109877.4622 298.2024 -161765.7032 -109517.4094 298.4105 -111.9049 -85.2419 759113.6999 17.2863 17.3871 PRESSURE: 3422600 450.507 -233.501 -270.546 -233.501 -36.0143 -106.035 -270.546 -106.034 407.314 GPRESSURE: 3422600 551.158 -85.9993 -205.613 -204.285 -93.9502 -124.099 -236.765 -32.0432 447.091 PRESSAVG: 3422600 55.4712 -29.1346 -32.9205 -29.1346 -58.2016 -13.4896 -32.9205 -13.4897 -12.2147 GPRESSAVG: 3422600 57.0782 -28.8271 -32.8436 -28.0306 -58.8168 -14.6828 -33.712 -11.9958 -12.8878 TIMING: 3422600 CPU: 10881.8, 0.00316244/step Wall: 10881.8, 0.00316244/step, 1.38568 hours remaining, 241.117188 MB of memory in use. ENERGY: 3422600 3881.5956 20483.3081 14442.1916 245.6968 -203728.4754 2729.6366 0.0000 0.0000 52063.2399 -109882.8068 299.2082 -161946.0467 -109514.2618 298.3603 273.9354 301.4331 757782.6101 -4.9817 -4.8755 PRESSURE: 3422800 141.512 -75.1553 237.298 -75.1554 206.259 39.2205 237.298 39.2206 252.143 GPRESSURE: 3422800 198.438 -10.2683 255.961 -74.8378 181.309 35.5809 185.573 -53.436 296.431 PRESSAVG: 3422800 92.6145 -33.4803 -30.636 -33.4803 -61.5028 9.72123 -30.636 9.72118 -8.57267 GPRESSAVG: 3422800 92.7726 -32.4004 -31.1891 -36.6473 -61.9594 9.76239 -28.0773 9.27213 -8.90548 TIMING: 3422800 CPU: 10882.4, 0.00313311/step Wall: 10882.4, 0.00313311/step, 1.37265 hours remaining, 241.117188 MB of memory in use. ENERGY: 3422800 3915.4634 20442.0622 14459.5912 239.2291 -203709.8375 2592.8012 0.0000 0.0000 52304.9390 -109755.7513 300.5972 -162060.6903 -109394.6266 299.0405 199.9714 225.3928 757685.8577 7.5130 7.3026 PRESSURE: 3423000 -265.937 -162.387 -152.596 -162.388 -202.984 148.952 -152.596 148.953 -82.1017 GPRESSURE: 3423000 -225.977 -91.9003 -163.405 -41.5998 -182.363 86.7537 -22.1932 170.915 -47.723 PRESSAVG: 3423000 10.5987 -47.9353 28.8882 -47.9353 -2.09276 30.7343 28.8881 30.7344 -2.02545 GPRESSAVG: 3423000 9.81091 -50.2488 28.9479 -46.4945 -1.85225 31.3165 29.3319 29.208 -1.89892 TIMING: 3423000 CPU: 10883, 0.00314024/step Wall: 10883, 0.00314024/step, 1.3756 hours remaining, 241.117188 MB of memory in use. ENERGY: 3423000 4008.5078 20481.2536 14416.0098 242.4645 -203214.6288 2240.5947 0.0000 0.0000 52123.5793 -109702.2191 299.5549 -161825.7984 -109337.2435 299.1653 -183.6740 -152.0210 759717.6141 2.1602 2.0199 PRESSURE: 3423200 -557.597 358.386 104.431 358.385 -103.482 116.566 104.432 116.566 -3.16057 GPRESSURE: 3423200 -451.231 172.901 137.497 286.021 -126.045 217.728 253.288 -17.5161 10.49 PRESSAVG: 3423200 29.9831 -26.5077 70.8532 -26.5077 -27.981 18.468 70.8531 18.468 -5.50976 GPRESSAVG: 3423200 29.0204 -25.6099 70.5492 -28.0301 -26.2877 19.7063 68.7036 18.1182 -6.51847 TIMING: 3423200 CPU: 10883.7, 0.00315177/step Wall: 10883.7, 0.00315177/step, 1.38048 hours remaining, 241.117188 MB of memory in use. ENERGY: 3423200 4000.8028 20470.3246 14465.4862 266.3565 -203145.7395 2437.7982 0.0000 0.0000 51945.1548 -109559.8165 298.5295 -161504.9712 -109200.3411 298.5467 -221.4132 -188.9285 760618.1942 -1.1692 -1.2619 PRESSURE: 3423400 -326.622 43.1456 -34.0247 43.1451 324.113 24.3686 -34.0249 24.368 79.7949 GPRESSURE: 3423400 -292.521 108.771 72.4185 -2.47061 342.932 104.321 -84.8783 70.0651 108.871 PRESSAVG: 3423400 27.836 -15.3208 -55.0813 -15.3207 -32.9006 -23.937 -55.0814 -23.937 -26.4281 GPRESSAVG: 3423400 26.8425 -15.1082 -55.4281 -14.8774 -33.0069 -25.3343 -52.9134 -22.2473 -25.7762 TIMING: 3423400 CPU: 10884.3, 0.00315867/step Wall: 10884.3, 0.00315867/step, 1.38332 hours remaining, 241.117188 MB of memory in use. ENERGY: 3423400 3934.5558 20572.3319 14464.6523 265.8639 -202976.8714 2236.8144 0.0000 0.0000 51964.2376 -109538.4156 298.6392 -161502.6532 -109186.6474 299.3531 25.7620 53.0939 760572.0355 -10.4976 -10.6469 PRESSURE: 3423600 7.18735 -10.8095 171.08 -10.8092 -337.684 98.3773 171.081 98.3774 131.763 GPRESSURE: 3423600 21.3013 2.82963 205.881 7.10339 -286.251 51.815 122.291 159.049 162.637 PRESSAVG: 3423600 22.7615 -29.0405 52.2586 -29.0404 -61.984 -30.4822 52.2586 -30.4821 15.9039 GPRESSAVG: 3423600 22.0995 -32.1761 53.4972 -28.4098 -60.6836 -30.3243 48.9388 -30.6999 15.6761 TIMING: 3423600 CPU: 10884.9, 0.00316309/step Wall: 10884.9, 0.00316309/step, 1.38508 hours remaining, 241.117188 MB of memory in use. ENERGY: 3423600 4031.5451 20530.0879 14503.3932 235.4407 -203274.3111 2308.0098 0.0000 0.0000 52017.6484 -109648.1859 298.9461 -161665.8343 -109276.5407 299.6361 -66.2448 -34.1041 759333.4514 -7.7728 -7.6360 PRESSURE: 3423800 -26.6475 -235.187 222.107 -235.187 177.794 -202.516 222.106 -202.515 437.511 GPRESSURE: 3423800 92.9719 -240.84 189.461 -162.276 193.838 -201.195 150.678 -307.534 409.065 PRESSAVG: 3423800 0.652322 -46.6776 15.6669 -46.6776 -10.0752 -27.8889 15.6668 -27.8888 3.59893 GPRESSAVG: 3423800 2.30237 -43.9955 14.18 -47.4298 -12.0411 -27.7891 18.6978 -27.3626 3.23572 TIMING: 3423800 CPU: 10885.6, 0.00313248/step Wall: 10885.6, 0.00313248/step, 1.3715 hours remaining, 241.117188 MB of memory in use. ENERGY: 3423800 3985.6134 20347.8662 14446.5254 266.1763 -203731.0890 2700.9035 0.0000 0.0000 52158.5607 -109825.4435 299.7560 -161984.0042 -109454.1908 299.5526 196.2193 231.9586 759211.1610 -1.9413 -2.1677 PRESSURE: 3424000 9.60341 46.9525 -24.6494 46.9519 3.06209 37.342 -24.6498 37.3424 15.5987 GPRESSURE: 3424000 106.558 120.862 44.2381 77.2886 23.4162 64.0919 -135.646 -118.818 -14.931 PRESSAVG: 3424000 61.5511 -52.6397 94.6061 -52.6397 -112.563 33.5875 94.6061 33.5875 -23.3077 GPRESSAVG: 3424000 61.5491 -55.0337 95.3033 -51.0197 -112.317 32.6805 93.4356 32.4548 -22.2722 TIMING: 3424000 CPU: 10886.2, 0.00312825/step Wall: 10886.2, 0.00312825/step, 1.36948 hours remaining, 241.117188 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: 3424000 4012.0402 20485.5071 14449.5643 248.0148 -203284.2053 2474.6709 0.0000 0.0000 52054.4840 -109559.9239 299.1578 -161614.4079 -109188.4087 299.1398 9.4214 38.3476 760851.5392 -24.7733 -24.3468 PRESSURE: 3424200 -443.721 -242.124 -23.9658 -242.125 -279.664 61.2751 -23.9659 61.2753 -221.891 GPRESSURE: 3424200 -329.7 -305.037 -36.9567 -207.124 -331.41 -41.8654 -23.0097 108.732 -200.597 PRESSAVG: 3424200 5.52384 4.8947 -0.273667 4.89467 -8.09292 5.17457 -0.273634 5.17458 7.46245 GPRESSAVG: 3424200 5.61003 7.68168 0.418993 4.02062 -7.64522 4.86549 -2.99323 3.70686 7.04209 TIMING: 3424200 CPU: 10886.8, 0.00316922/step Wall: 10886.8, 0.00316922/step, 1.38724 hours remaining, 241.117188 MB of memory in use. ENERGY: 3424200 4039.8378 20406.2372 14438.1728 260.3981 -203035.8003 2292.8901 0.0000 0.0000 51978.7224 -109619.5420 298.7224 -161598.2644 -109254.7811 299.0920 -315.0919 -287.2353 761214.9490 1.6311 1.6690 LDB: ============= START OF LOAD BALANCING ============== 10899.3 LDB: ============== END OF LOAD BALANCING =============== 10899.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10899.3 LDB: ============= START OF LOAD BALANCING ============== 10899.6 LDB: Largest compute 7031 load 0.033706 is 17.2% of average load 0.195404 LDB: Average compute 0.004374 is 2.2% of average load 0.195404 LDB: TIME 10899.6 LOAD: AVG 0.195404 MAX 0.21343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.176 MB LDB: TIME 10899.6 LOAD: AVG 0.195404 MAX 0.21343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: TIME 10899.6 LOAD: AVG 0.195404 MAX 0.21343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.215 MB LDB: ============== END OF LOAD BALANCING =============== 10899.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10899.6 PRESSURE: 3424400 157.062 151.579 -42.5173 151.581 122.087 118.26 -42.5175 118.26 143.183 GPRESSURE: 3424400 172.505 114.37 -34.475 141.579 124.606 82.4683 11.8017 113.359 192.8 PRESSAVG: 3424400 -0.309314 -8.82645 31.7224 -8.82646 11.0152 9.06515 31.7224 9.06516 0.300001 GPRESSAVG: 3424400 0.734884 -11.4669 31.0458 -10.7229 9.74798 10.0119 35.9855 11.4406 0.241019 TIMING: 3424400 CPU: 10887.5, 0.00325778/step Wall: 10887.5, 0.00325778/step, 1.42582 hours remaining, 241.378906 MB of memory in use. ENERGY: 3424400 3926.4674 20500.8574 14490.7966 269.3611 -203293.4321 2493.1934 0.0000 0.0000 52257.9765 -109354.7797 300.3273 -161612.7562 -108988.5248 299.6342 140.7775 163.3037 761216.9897 3.6686 3.5746 PRESSURE: 3424600 233.701 -15.6423 -87.2133 -15.6415 3.1564 26.1564 -87.2133 26.1562 205.369 GPRESSURE: 3424600 200.542 -167.714 -86.3648 -87.1626 72.8682 -13.711 -8.83358 184.045 239.078 PRESSAVG: 3424600 9.89032 -0.643791 16.3032 -0.643834 -77.7948 41.7283 16.3032 41.7282 18.4398 GPRESSAVG: 3424600 9.60521 2.36795 15.5739 -1.03292 -76.8863 42.9022 15.1962 40.7981 17.7612 TIMING: 3424600 CPU: 10888.1, 0.003145/step Wall: 10888.1, 0.003145/step, 1.37629 hours remaining, 241.378906 MB of memory in use. ENERGY: 3424600 4038.4797 20629.1202 14492.8388 274.1728 -203276.7053 2496.8472 0.0000 0.0000 52058.0404 -109287.2062 299.1783 -161345.2466 -108931.0445 299.8248 147.4087 170.8294 761403.7897 -16.4882 -16.5066 PRESSURE: 3424800 -152.871 -104.755 -63.626 -104.754 -390.494 97.8811 -63.626 97.8811 -191.596 GPRESSURE: 3424800 -75.9501 -13.8151 -152.264 -118.271 -417.997 138.723 32.6546 131.527 -150.766 PRESSAVG: 3424800 18.5075 -9.91058 22.4483 -9.91065 -22.5836 -26.5532 22.4483 -26.5532 -6.21217 GPRESSAVG: 3424800 19.5212 -11.3533 21.3567 -9.42953 -23.3381 -28.4504 22.062 -24.8902 -6.13435 TIMING: 3424800 CPU: 10888.7, 0.00314063/step Wall: 10888.7, 0.00314063/step, 1.3742 hours remaining, 241.378906 MB of memory in use. ENERGY: 3424800 4022.0121 20339.2896 14499.9369 228.7258 -202951.8863 2379.3384 0.0000 0.0000 52316.9633 -109165.6203 300.6663 -161482.5836 -108794.8333 300.3052 -244.9869 -214.9043 762281.4585 -3.4294 -3.3171 PRESSURE: 3425000 -263.285 94.7802 296.571 94.7803 -121.138 -310.996 296.571 -310.996 -73.1616 GPRESSURE: 3425000 -238.376 187.446 387.401 79.5774 -86.2038 -271.116 109.867 -284.858 -42.9967 PRESSAVG: 3425000 17.0847 -21.5915 34.5734 -21.5916 -31.1147 -37.2559 34.5734 -37.2559 14.9571 GPRESSAVG: 3425000 15.7698 -22.1098 35.1032 -20.5726 -30.6484 -38.9906 35.1031 -36.1278 15.7964 TIMING: 3425000 CPU: 10889.4, 0.00314908/step Wall: 10889.4, 0.00314908/step, 1.37772 hours remaining, 241.378906 MB of memory in use. ENERGY: 3425000 3977.2210 20467.7332 14474.9809 263.0250 -203073.9350 2246.5009 0.0000 0.0000 52198.8762 -109445.5979 299.9877 -161644.4741 -109081.3955 300.2278 -152.5283 -122.5257 760617.2454 0.3090 0.3059 PRESSURE: 3425200 -208.798 -31.8497 73.3014 -31.8496 -315.911 -189.953 73.3019 -189.953 17.0817 GPRESSURE: 3425200 -125.748 -89.3528 88.4778 19.4053 -292.166 -104.244 77.647 -155.199 1.20125 PRESSAVG: 3425200 28.6483 -13.8336 20.3024 -13.8336 -25.3226 -1.64317 20.3023 -1.64313 23.1273 GPRESSAVG: 3425200 30.1076 -13.9168 20.1134 -13.2582 -24.7131 0.193888 20.2914 -4.04234 21.6828 TIMING: 3425200 CPU: 10890, 0.00315727/step Wall: 10890, 0.00315727/step, 1.38113 hours remaining, 241.378906 MB of memory in use. ENERGY: 3425200 3899.4885 20549.0584 14486.9346 250.7299 -203170.8083 2298.6632 0.0000 0.0000 52070.8848 -109615.0489 299.2521 -161685.9337 -109255.5847 299.3096 -169.2093 -138.9044 760686.6021 8.8177 9.0258 PRESSURE: 3425400 -95.4277 -24.8632 -113.64 -24.8631 199.632 327.309 -113.64 327.308 -205.661 GPRESSURE: 3425400 13.6179 49.4604 -149.01 -37.1376 251.734 370.829 -135.275 384.922 -275.398 PRESSAVG: 3425400 9.15864 34.3962 54.5205 34.3962 -16.6058 10.9988 54.5205 10.9988 -0.472132 GPRESSAVG: 3425400 9.17264 34.5357 55.5347 33.5799 -17.1447 10.6231 53.5256 8.85236 0.194219 TIMING: 3425400 CPU: 10890.6, 0.00316565/step Wall: 10890.6, 0.00316565/step, 1.38462 hours remaining, 241.378906 MB of memory in use. ENERGY: 3425400 4005.6976 20378.0182 14522.4727 232.0953 -203015.8337 2332.6789 0.0000 0.0000 51966.7447 -109578.1262 298.6536 -161544.8709 -109220.4615 298.8980 -33.8189 -3.3486 759261.7028 -2.6398 -2.5926 PRESSURE: 3425600 103.51 -52.8844 -266.298 -52.8843 -270.272 78.8676 -266.298 78.8678 -100.189 GPRESSURE: 3425600 94.4933 -29.4356 -246.805 27.3468 -171.958 70.3418 -182.194 -101.87 -118.656 PRESSAVG: 3425600 39.291 29.1145 39.9824 29.1145 -50.7121 -38.0561 39.9824 -38.0561 -4.83167 GPRESSAVG: 3425600 39.1603 30.4186 38.961 28.0278 -51.5284 -39.2326 40.8287 -35.4588 -4.38782 TIMING: 3425600 CPU: 10891.3, 0.00317376/step Wall: 10891.3, 0.00317376/step, 1.38799 hours remaining, 241.378906 MB of memory in use. ENERGY: 3425600 3953.2654 20681.7014 14469.2578 236.6509 -202944.7901 2347.0556 0.0000 0.0000 51788.9090 -109467.9500 297.6316 -161256.8590 -109115.4706 299.1857 -88.9837 -65.3736 760213.0208 -5.4176 -5.5853 PRESSURE: 3425800 117.362 211.545 110.957 211.544 41.7325 -278.314 110.957 -278.314 208.233 GPRESSURE: 3425800 235.978 153.025 136.671 253.437 -19.4282 -128.102 113.692 -162.568 233.858 PRESSAVG: 3425800 53.9066 1.88399 41.6142 1.88397 -22.4692 -52.9387 41.6142 -52.9386 -24.5601 GPRESSAVG: 3425800 53.9112 1.81423 43.1495 2.48402 -22.6436 -52.2626 41.3852 -56.0871 -24.7301 TIMING: 3425800 CPU: 10891.9, 0.00314412/step Wall: 10891.9, 0.00314412/step, 1.37485 hours remaining, 241.378906 MB of memory in use. ENERGY: 3425800 3945.5842 20438.0249 14443.5591 241.2256 -203319.4377 2492.6403 0.0000 0.0000 52111.5333 -109646.8703 299.4857 -161758.4036 -109279.1349 298.7655 122.4425 150.1359 758629.1622 2.2924 2.1792 PRESSURE: 3426000 -12.8717 140.449 18.5729 140.448 98.4216 354.911 18.5731 354.911 26.703 GPRESSURE: 3426000 113.422 23.051 71.3941 141.051 39.9242 301.171 -82.1054 384.905 29.0125 PRESSAVG: 3426000 43.0232 37.1907 40.2918 37.1908 -49.1194 16.5874 40.2918 16.5874 21.332 GPRESSAVG: 3426000 43.2624 36.7197 38.5508 39.3252 -50.0448 17.6056 41.7613 18.8431 21.8463 TIMING: 3426000 CPU: 10892.5, 0.00314688/step Wall: 10892.5, 0.00314688/step, 1.37588 hours remaining, 241.378906 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: 3426000 3974.6844 20439.6949 14487.1464 267.1107 -203432.2097 2711.1154 0.0000 0.0000 52111.1652 -109441.2929 299.4836 -161552.4580 -109081.2967 298.8812 37.4176 60.7863 760055.4476 5.0786 5.0213 PRESSURE: 3426200 168.148 -14.8004 -261.171 -14.8009 -2.98278 -169.366 -261.17 -169.365 -135.399 GPRESSURE: 3426200 144.907 18.281 -307.423 28.5322 77.6005 -132.993 -205.82 -327.858 -104.503 PRESSAVG: 3426200 65.5076 49.412 43.2406 49.4121 -17.5429 0.866953 43.2406 0.866975 -3.26364 GPRESSAVG: 3426200 65.5983 48.2964 43.8494 47.911 -16.3976 1.83713 42.7944 0.201443 -4.64238 TIMING: 3426200 CPU: 10893.1, 0.00315325/step Wall: 10893.1, 0.00315325/step, 1.3785 hours remaining, 241.378906 MB of memory in use. ENERGY: 3426200 3945.1470 20364.6996 14507.6570 251.1345 -203109.9871 2427.7527 0.0000 0.0000 52212.1589 -109401.4375 300.0640 -161613.5964 -109045.4687 299.3741 9.9220 39.3351 760386.5534 14.9004 14.8528 PRESSURE: 3426400 366.345 73.4269 44.0155 73.4278 328.564 30.1201 44.0146 30.1205 31.1504 GPRESSURE: 3426400 291.898 141.733 36.9829 114.307 465.486 70.9243 129.568 35.6394 62.0743 PRESSAVG: 3426400 -18.8692 -5.7876 11.6425 -5.78757 26.6611 -61.4988 11.6425 -61.4988 31.9657 GPRESSAVG: 3426400 -20.2664 -3.10787 11.0316 -5.88525 26.5758 -63.2485 11.1214 -59.2579 33.0828 TIMING: 3426400 CPU: 10893.8, 0.00313671/step Wall: 10893.8, 0.00313671/step, 1.37109 hours remaining, 241.378906 MB of memory in use. ENERGY: 3426400 3874.5122 20437.1623 14459.4667 230.0895 -202948.5597 2380.6416 0.0000 0.0000 51843.6542 -109723.0332 297.9462 -161566.6874 -109374.6647 298.9917 242.0196 273.1527 759481.9536 13.2525 13.1307 PRESSURE: 3426600 261.867 -1.71792 -21.7655 -1.7175 -60.0359 383.038 -21.7643 383.039 146.615 GPRESSURE: 3426600 148.888 -158.355 -31.9519 -58.1506 95.3656 337.502 -15.4718 192.073 168.004 PRESSAVG: 3426600 54.3184 -13.1169 -37.3486 -13.1169 -40.696 -15.3529 -37.3487 -15.3529 3.26556 GPRESSAVG: 3426600 54.7566 -14.5046 -37.9944 -14.282 -39.7927 -16.2771 -37.5384 -16.8153 2.03678 TIMING: 3426600 CPU: 10894.4, 0.00313069/step Wall: 10894.4, 0.00313069/step, 1.36829 hours remaining, 241.378906 MB of memory in use. ENERGY: 3426600 3894.7025 20412.9186 14470.0616 237.8453 -203721.9256 2844.2650 0.0000 0.0000 52063.0727 -109799.0601 299.2072 -161862.1327 -109438.8126 298.6538 116.1487 137.4192 759309.7578 5.6293 5.6669 PRESSURE: 3426800 192.875 -2.81148 98.2893 -2.81242 -128.836 55.7515 98.2894 55.7535 227.868 GPRESSURE: 3426800 218.51 134.715 128.346 78.4932 -5.97664 18.7578 201.571 106.917 160.333 PRESSAVG: 3426800 45.0869 -51.1919 16.0244 -51.1919 -41.2937 -38.9393 16.0244 -38.9393 9.95552 GPRESSAVG: 3426800 44.6033 -52.931 15.467 -49.0202 -41.1563 -38.6838 15.7681 -38.3986 10.2273 TIMING: 3426800 CPU: 10895, 0.00311971/step Wall: 10895, 0.00311971/step, 1.36331 hours remaining, 241.378906 MB of memory in use. ENERGY: 3426800 3967.1325 20358.6134 14484.2082 225.6193 -203699.2821 2795.5330 0.0000 0.0000 52284.0172 -109584.1586 300.4770 -161868.1758 -109224.8619 298.7643 97.3024 124.2888 759682.6908 4.5829 4.5581 PRESSURE: 3427000 -3.86534 -68.2143 -172.81 -68.2143 -179.588 -104.375 -172.81 -104.374 30.0406 GPRESSURE: 3427000 90.7345 -107.666 -221.854 -37.7073 -137.865 -61.8383 -88.5263 -18.9587 -13.1201 PRESSAVG: 3427000 -8.07508 1.61099 23.8168 1.61096 -52.8186 10.2928 23.8168 10.2928 1.79266 GPRESSAVG: 3427000 -7.55773 5.469 24.5656 -0.424914 -54.055 10.6596 25.1148 10.1266 2.2365 TIMING: 3427000 CPU: 10895.7, 0.00317234/step Wall: 10895.7, 0.00317234/step, 1.38614 hours remaining, 241.378906 MB of memory in use. ENERGY: 3427000 3980.9184 20367.1596 14444.0733 259.2776 -203013.9215 2440.4914 0.0000 0.0000 52052.5607 -109469.4406 299.1468 -161522.0013 -109112.7957 299.0066 -51.1376 -20.0837 761722.8575 -19.7003 -19.7921 PRESSURE: 3427200 -22.679 126.133 -59.0742 126.133 -256.88 -226.056 -59.0745 -226.055 -625.607 GPRESSURE: 3427200 18.0479 93.9969 -55.3301 50.8333 -273.802 -131.9 -24.062 -336.132 -556.889 PRESSAVG: 3427200 63.3658 21.7999 -22.9727 21.8 -89.7958 -51.8467 -22.9728 -51.8468 26.6899 GPRESSAVG: 3427200 64.38 19.6585 -21.6018 23.4211 -90.4522 -51.5336 -20.9034 -52.3227 26.2916 TIMING: 3427200 CPU: 10896.3, 0.00313359/step Wall: 10896.3, 0.00313359/step, 1.36903 hours remaining, 241.378906 MB of memory in use. ENERGY: 3427200 4029.0546 20449.6282 14439.9514 240.6501 -203071.2234 2311.9601 0.0000 0.0000 52193.9283 -109406.0509 299.9592 -161599.9791 -109043.1845 299.0146 -301.7219 -270.8811 760671.5057 0.0866 0.0731 PRESSURE: 3427400 267.498 7.57332 19.6296 7.57262 462.898 124.938 19.6295 124.939 357.446 GPRESSURE: 3427400 200.28 -15.1804 12.8163 54.7901 491.35 103.778 -69.9036 105.702 463.12 PRESSAVG: 3427400 17.7911 17.5373 -32.0337 17.5374 8.94909 -25.5516 -32.0337 -25.5517 -8.3893 GPRESSAVG: 3427400 16.6583 18.2805 -33.4935 16.417 10.1062 -25.5155 -34.3985 -25.0387 -8.89992 TIMING: 3427400 CPU: 10896.9, 0.00314924/step Wall: 10896.9, 0.00314924/step, 1.37569 hours remaining, 241.378906 MB of memory in use. ENERGY: 3427400 3938.8324 20626.5101 14415.1581 237.1477 -204029.3084 2993.7100 0.0000 0.0000 52347.7438 -109470.2062 300.8432 -161817.9500 -109116.1306 299.3333 362.6143 384.9168 759735.6236 6.1170 5.9548 PRESSURE: 3427600 183.688 109.785 66.2466 109.785 258.033 114.526 66.2459 114.525 188.097 GPRESSURE: 3427600 330.528 210.081 70.4582 -32.6945 218.713 110.545 -5.35939 189.702 160.668 PRESSAVG: 3427600 -28.6127 2.57288 -14.0125 2.57283 -26.3764 -4.34137 -14.0125 -4.34145 12.5615 GPRESSAVG: 3427600 -29.8197 0.970043 -13.3013 3.46536 -26.2104 -2.81834 -13.5409 -4.951 13.91 TIMING: 3427600 CPU: 10897.5, 0.00315979/step Wall: 10897.5, 0.00315979/step, 1.38013 hours remaining, 241.378906 MB of memory in use. ENERGY: 3427600 3985.4318 20500.7055 14452.2386 235.6069 -203158.3022 2338.0453 0.0000 0.0000 52418.4004 -109227.8737 301.2493 -161646.2741 -108855.5486 299.8811 209.9392 236.6361 761470.2679 -14.1425 -14.0401 PRESSURE: 3427800 -303.541 20.4884 151.445 20.4876 -30.5646 -12.1535 151.445 -12.1543 63.5948 GPRESSURE: 3427800 -152.652 53.2653 100.074 -33.3837 -97.419 -37.3729 108.669 -66.1758 74.3414 PRESSAVG: 3427800 64.4718 9.70298 39.7588 9.70299 47.1002 36.0122 39.7588 36.0122 -32.3194 GPRESSAVG: 3427800 66.8411 10.1474 39.7342 10.4533 45.2612 34.8572 37.7388 36.1879 -32.3615 TIMING: 3427800 CPU: 10898.2, 0.00314534/step Wall: 10898.2, 0.00314534/step, 1.37364 hours remaining, 241.378906 MB of memory in use. ENERGY: 3427800 3988.5603 20523.3203 14541.3845 250.2116 -203052.3581 2372.7699 0.0000 0.0000 52115.4038 -109260.7077 299.5079 -161376.1115 -108888.5556 299.9467 -90.1701 -58.5766 761069.3748 26.4175 26.5803 PRESSURE: 3428000 120.208 94.5171 -100.077 94.5185 -104.947 59.9058 -100.077 59.9054 307.037 GPRESSURE: 3428000 94.8448 10.929 -17.5805 97.0651 -13.2464 96.01 -74.574 -29.5858 322.96 PRESSAVG: 3428000 50.6946 28.9182 11.9982 28.9182 -21.5005 21.9527 11.9981 21.9526 -1.38117 GPRESSAVG: 3428000 48.7497 28.5066 12.0051 28.0501 -19.6034 21.2029 13.5691 21.2945 -1.48446 TIMING: 3428000 CPU: 10898.8, 0.00315217/step Wall: 10898.8, 0.00315217/step, 1.37645 hours remaining, 241.378906 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: 3428000 4033.0332 20607.8012 14573.7872 262.3882 -203510.1403 2601.5063 0.0000 0.0000 52089.5108 -109342.1134 299.3591 -161431.6242 -108975.6496 299.9855 107.4329 134.8527 760479.5410 9.2710 9.2206 PRESSURE: 3428200 -232.888 -94.6857 -63.7772 -94.6856 -49.3209 -150.947 -63.7774 -150.947 139.072 GPRESSURE: 3428200 -96.5384 -167.197 -107.721 -13.9525 -34.8684 -198.268 -135.411 -144.948 96.4724 PRESSAVG: 3428200 22.1567 -34.24 47.2854 -34.24 -20.3857 -25.2997 47.2854 -25.2997 23.6524 GPRESSAVG: 3428200 25.1095 -34.7179 48.8924 -32.0914 -21.4174 -25.7584 45.2877 -24.8517 22.7389 TIMING: 3428200 CPU: 10899.4, 0.00314427/step Wall: 10899.4, 0.00314427/step, 1.37283 hours remaining, 241.378906 MB of memory in use. ENERGY: 3428200 3946.4227 20564.0894 14462.7372 214.4966 -202782.6125 2231.9145 0.0000 0.0000 52030.7458 -109332.2063 299.0214 -161362.9521 -108972.4994 299.4141 -47.7125 -11.6448 761644.3056 8.4745 8.8103 LDB: ============= START OF LOAD BALANCING ============== 10911.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10911.9 LDB: =============== DONE WITH MIGRATION ================ 10911.9 LDB: ============= START OF LOAD BALANCING ============== 10912.2 LDB: Largest compute 7059 load 0.035341 is 18.1% of average load 0.195432 LDB: Average compute 0.004388 is 2.2% of average load 0.195432 LDB: TIME 10912.2 LOAD: AVG 0.195432 MAX 0.215888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 10912.2 LOAD: AVG 0.195432 MAX 0.215888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: TIME 10912.2 LOAD: AVG 0.195432 MAX 0.215888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: ============== END OF LOAD BALANCING =============== 10912.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10912.2 PRESSURE: 3428400 -326.211 233.302 -2.08747 233.302 -247.679 158.38 -2.0878 158.379 -65.9102 GPRESSURE: 3428400 -252.108 256.208 -12.9233 133.158 -218.453 172.18 -63.7794 290.627 -69.1923 PRESSAVG: 3428400 37.9242 -58.6116 -13.1168 -58.6115 -18.3115 0.197654 -13.1168 0.197603 12.6853 GPRESSAVG: 3428400 36.5199 -57.829 -14.1349 -61.6894 -17.4045 1.88153 -11.6306 0.0130374 13.2822 TIMING: 3428400 CPU: 10900.1, 0.00321067/step Wall: 10900.1, 0.00321067/step, 1.40163 hours remaining, 241.062500 MB of memory in use. ENERGY: 3428400 3937.7351 20563.6666 14476.9159 236.7870 -203292.0704 2452.9862 0.0000 0.0000 52187.9005 -109436.0792 299.9246 -161623.9797 -109082.4187 299.2479 -213.2666 -179.9179 760677.8154 10.7660 10.7992 PRESSURE: 3428600 99.1287 -43.3274 -219.436 -43.3283 -263.647 66.4331 -219.436 66.4321 154.511 GPRESSURE: 3428600 75.903 95.8298 -208.127 17.0823 -134.811 -25.3384 -257.748 126.414 130.753 PRESSAVG: 3428600 51.4605 -5.60661 12.4255 -5.60666 -4.45503 -17.7616 12.4255 -17.7617 19.5727 GPRESSAVG: 3428600 49.5188 -4.81411 10.6396 -5.67237 -2.82452 -17.0269 12.1726 -20.1635 19.4635 TIMING: 3428600 CPU: 10900.7, 0.00313456/step Wall: 10900.7, 0.00313456/step, 1.36823 hours remaining, 241.062500 MB of memory in use. ENERGY: 3428600 4066.4114 20528.6557 14411.1559 245.1369 -203326.3507 2493.4209 0.0000 0.0000 52070.2939 -109511.2760 299.2487 -161581.5699 -109154.4033 299.7461 -3.3358 23.9483 760302.4286 22.1927 22.0526 PRESSURE: 3428800 -108.519 59.7976 -45.8194 59.797 -62.5216 -80.2862 -45.8197 -80.2852 219.544 GPRESSURE: 3428800 -112.797 -48.1803 -2.88386 -50.5283 47.4515 -103.093 -13.5948 35.6423 206.441 PRESSAVG: 3428800 -9.5634 -33.5117 -10.0104 -33.5117 -19.5803 50.7186 -10.0104 50.7185 -10.3716 GPRESSAVG: 3428800 -8.40469 -33.8223 -10.0128 -32.3852 -20.8814 49.4851 -9.58447 53.3868 -10.0104 TIMING: 3428800 CPU: 10901.3, 0.00313788/step Wall: 10901.3, 0.00313788/step, 1.36951 hours remaining, 241.062500 MB of memory in use. ENERGY: 3428800 3955.3828 20423.9519 14420.1206 234.4147 -203170.0788 2445.7205 0.0000 0.0000 52160.7503 -109529.7380 299.7685 -161690.4883 -109151.2766 298.8637 16.1678 47.0319 760033.7541 -13.1718 -13.0988 PRESSURE: 3429000 -5.42168 -61.3117 50.1179 -61.312 47.5181 27.4529 50.1173 27.4518 -73.1266 GPRESSURE: 3429000 101.008 -106.182 56.0699 -74.1685 45.342 99.1915 58.9705 85.6076 -90.6353 PRESSAVG: 3429000 6.58313 -16.3574 28.5702 -16.3574 14.4501 16.7982 28.5702 16.7983 3.86974 GPRESSAVG: 3429000 7.60504 -16.0045 30.2212 -17.3171 13.5193 16.6054 31.0605 17.4373 3.34885 TIMING: 3429000 CPU: 10902, 0.00314627/step Wall: 10902, 0.00314627/step, 1.373 hours remaining, 241.062500 MB of memory in use. ENERGY: 3429000 4027.4759 20288.5861 14558.5065 240.4812 -203444.7953 2489.6621 0.0000 0.0000 52014.4340 -109825.6493 298.9277 -161840.0834 -109456.8476 298.7833 -10.3434 18.5716 758973.5416 8.3010 8.1577 PRESSURE: 3429200 -102.322 -128.647 -39.6322 -128.646 162.405 43.9371 -39.6329 43.9366 -77.9916 GPRESSURE: 3429200 64.623 -141.475 -43.3944 -127.052 86.1087 116.189 -143.29 182.803 -61.5968 PRESSAVG: 3429200 -48.5153 -86.0825 -15.3076 -86.0826 23.372 1.44442 -15.3076 1.44444 32.6661 GPRESSAVG: 3429200 -48.3418 -86.5076 -16.3503 -85.4962 23.7691 3.29738 -18.9849 1.02343 32.8148 TIMING: 3429200 CPU: 10902.6, 0.00315147/step Wall: 10902.6, 0.00315147/step, 1.37509 hours remaining, 241.062500 MB of memory in use. ENERGY: 3429200 4028.8242 20430.5144 14573.8590 260.1069 -203957.8712 2539.2323 0.0000 0.0000 52351.9788 -109773.3555 300.8675 -162125.3343 -109405.7262 298.8607 -5.9695 29.7116 757552.6488 2.5076 2.7474 PRESSURE: 3429400 50.6284 -113.65 8.55063 -113.651 55.298 140.902 8.55151 140.901 87.2013 GPRESSURE: 3429400 -33.4613 11.6617 56.9172 -214.432 138.243 32.9389 56.9721 211.281 162.089 PRESSAVG: 3429400 -10.0618 -24.4539 34.2713 -24.4539 -1.03396 -23.3719 34.2712 -23.3719 2.42739 GPRESSAVG: 3429400 -12.651 -24.9466 34.6953 -22.5567 0.611831 -23.7555 33.7662 -23.6268 3.33251 TIMING: 3429400 CPU: 10903.2, 0.0031616/step Wall: 10903.2, 0.0031616/step, 1.37934 hours remaining, 241.062500 MB of memory in use. ENERGY: 3429400 3954.4634 20299.2893 14500.5081 249.7983 -203242.6861 2253.1683 0.0000 0.0000 52209.4401 -109776.0186 300.0484 -161985.4587 -109401.0685 299.5269 64.3759 88.9569 758462.2234 -2.8894 -2.9022 PRESSURE: 3429600 71.9243 63.9543 -225.349 63.9541 -382.536 -104.771 -225.349 -104.77 -254.296 GPRESSURE: 3429600 38.9541 -186.307 -300.562 -46.3028 -233.542 -27.5122 -104.95 -77.4504 -264.859 PRESSAVG: 3429600 -40.802 -51.3175 0.582076 -51.3175 43.6156 -60.7091 0.582075 -60.7091 -23.1479 GPRESSAVG: 3429600 -41.2619 -51.6471 0.0906116 -53.3834 43.5999 -61.0434 2.7352 -61.5765 -22.7953 TIMING: 3429600 CPU: 10903.9, 0.00315747/step Wall: 10903.9, 0.00315747/step, 1.37736 hours remaining, 241.062500 MB of memory in use. ENERGY: 3429600 3925.9756 20510.3569 14509.4846 244.5740 -203256.2606 2222.8706 0.0000 0.0000 51913.4726 -109929.5264 298.3474 -161842.9990 -109569.1349 298.9559 -188.3024 -153.1489 760716.0670 -6.7781 -6.8191 PRESSURE: 3429800 -214.322 -31.7997 -74.5602 -31.7996 -55.6024 -1.00078 -74.5602 -0.999462 413.844 GPRESSURE: 3429800 -128.011 -7.62108 -64.5659 44.9972 32.5798 -6.5737 -54.0574 -100.643 332.963 PRESSAVG: 3429800 -21.9924 -69.0298 -32.1533 -69.0298 27.2308 47.3579 -32.1533 47.3579 28.1893 GPRESSAVG: 3429800 -20.1469 -69.6055 -30.3827 -68.6031 26.9598 46.7405 -33.0021 49.4709 26.8846 TIMING: 3429800 CPU: 10904.5, 0.00313838/step Wall: 10904.5, 0.00313838/step, 1.36886 hours remaining, 241.062500 MB of memory in use. ENERGY: 3429800 3932.4323 20403.0974 14581.6132 249.5153 -203757.6702 2646.7988 0.0000 0.0000 52134.7285 -109809.4847 299.6190 -161944.2132 -109444.2831 298.6391 47.9733 79.1773 759518.6129 11.1426 11.2325 PRESSURE: 3430000 65.2593 105.729 361.716 105.728 -235.032 -127.608 361.715 -127.608 310.866 GPRESSURE: 3430000 79.8244 22.9869 350.831 -94.9318 -212.047 -77.6324 288.844 -66.9789 351.796 PRESSAVG: 3430000 48.1946 -27.805 -18.7661 -27.8049 -47.944 -31.9974 -18.7662 -31.9974 10.3215 GPRESSAVG: 3430000 47.0813 -25.966 -18.6595 -29.515 -47.5066 -29.6685 -19.253 -33.6942 11.5528 TIMING: 3430000 CPU: 10905.1, 0.00315392/step Wall: 10905.1, 0.00315392/step, 1.37546 hours remaining, 241.062500 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: 3430000 3975.0719 20404.0802 14534.0632 248.1754 -203636.4971 2464.4389 0.0000 0.0000 52148.3705 -109862.2970 299.6974 -162010.6675 -109496.4153 298.3357 47.0312 73.1913 759960.9574 3.5240 3.7092 PRESSURE: 3430200 -29.4317 -6.26188 46.6238 -6.26186 -142.166 231.127 46.6247 231.126 -101.819 GPRESSURE: 3430200 22.138 -1.67391 32.5591 -23.6131 -87.965 245.889 -47.5604 220.258 -122.165 PRESSAVG: 3430200 29.6982 -82.2502 -33.7155 -82.2502 -54.8441 -24.1844 -33.7155 -24.1845 4.65224 GPRESSAVG: 3430200 30.0622 -83.2733 -35.3619 -80.7204 -54.5906 -26.736 -34.0226 -24.718 3.83289 TIMING: 3430200 CPU: 10905.7, 0.00314128/step Wall: 10905.7, 0.00314128/step, 1.36977 hours remaining, 241.062500 MB of memory in use. ENERGY: 3430200 4012.3459 20566.3652 14456.6846 263.3354 -203695.2784 2580.7973 0.0000 0.0000 51970.8295 -109844.9204 298.6771 -161815.7500 -109487.2869 298.2523 -91.1390 -62.6640 760273.5585 -6.8312 -6.8985 PRESSURE: 3430400 161.857 -143.454 -7.91561 -143.454 298.989 -164.317 -7.91591 -164.317 298.43 GPRESSURE: 3430400 214.766 -188.67 -17.7344 -146.274 330.534 -148.86 -34.2589 -91.0257 296.578 PRESSAVG: 3430400 5.51369 -42.4328 -21.7068 -42.4328 -24.559 -33.9889 -21.7068 -33.9888 -5.86065 GPRESSAVG: 3430400 6.51509 -42.8967 -20.1224 -44.2077 -26.7579 -32.6944 -21.0433 -35.0686 -4.80325 TIMING: 3430400 CPU: 10906.4, 0.00316399/step Wall: 10906.4, 0.00316399/step, 1.3795 hours remaining, 241.062500 MB of memory in use. ENERGY: 3430400 3863.3603 20545.2464 14449.7438 255.9572 -203485.7671 2529.8034 0.0000 0.0000 52070.7481 -109770.9079 299.2513 -161841.6560 -109402.9231 298.5416 253.0921 280.6260 759169.1741 -8.3020 -8.3487 PRESSURE: 3430600 -12.3267 90.7183 -67.0807 90.7179 -50.9988 -46.7657 -67.08 -46.7665 -626.904 GPRESSURE: 3430600 -59.0394 87.4933 57.7158 -67.3611 -22.6553 76.389 0.329136 33.3181 -540.829 PRESSAVG: 3430600 42.4699 2.03086 49.7362 2.03094 -30.434 -2.60852 49.7363 -2.60852 10.972 GPRESSAVG: 3430600 41.7699 3.48024 49.0153 1.8592 -28.4252 -3.4447 47.8846 -0.152265 9.59508 TIMING: 3430600 CPU: 10907, 0.00316233/step Wall: 10907, 0.00316233/step, 1.3786 hours remaining, 241.062500 MB of memory in use. ENERGY: 3430600 3971.5363 20560.9183 14473.7092 236.3045 -203311.8029 2262.9842 0.0000 0.0000 52091.5747 -109714.7758 299.3710 -161806.3505 -109346.6822 298.7971 -230.0766 -207.5079 760411.0333 7.6693 7.6466 PRESSURE: 3430800 241.47 236.262 60.2052 236.263 -188.064 148.49 60.206 148.491 -214.17 GPRESSURE: 3430800 265.252 311.202 30.624 28.4373 -140.417 198.517 -8.0862 31.5558 -199.925 PRESSAVG: 3430800 1.96971 49.8656 0.244353 49.8655 -30.8093 22.9546 0.24434 22.9547 29.5735 GPRESSAVG: 3430800 4.56612 50.2519 -0.249451 50.6001 -32.2778 23.9074 3.22893 21.9361 28.3195 TIMING: 3430800 CPU: 10907.6, 0.00315643/step Wall: 10907.6, 0.00315643/step, 1.37585 hours remaining, 241.062500 MB of memory in use. ENERGY: 3430800 3942.4518 20649.0774 14500.7349 265.8852 -203644.0773 2464.7027 0.0000 0.0000 52040.9717 -109780.2536 299.0802 -161821.2253 -109419.2574 299.1778 -53.5877 -25.0300 758500.0924 0.2446 0.2026 PRESSURE: 3431000 -362.163 -57.1429 -26.921 -57.1426 -360.69 -79.2899 -26.9213 -79.2894 14.3217 GPRESSURE: 3431000 -212.142 -35.1172 7.39731 -98.7407 -394.062 -83.4816 -32.0938 79.8121 -15.0515 PRESSAVG: 3431000 -0.666963 -1.09105 -50.059 -1.09109 -22.6469 -22.4462 -50.059 -22.4462 -7.75833 GPRESSAVG: 3431000 -2.92378 -2.85523 -50.4549 0.175138 -22.6808 -23.3199 -49.4728 -22.4117 -5.2209 TIMING: 3431000 CPU: 10908.3, 0.00312976/step Wall: 10908.3, 0.00312976/step, 1.36405 hours remaining, 241.062500 MB of memory in use. ENERGY: 3431000 3949.3405 20427.8255 14568.2977 251.8450 -203119.8360 2278.4469 0.0000 0.0000 51836.4993 -109807.5810 297.9051 -161644.0803 -109429.0803 298.6438 -236.1773 -207.0852 759280.8542 -10.3574 -10.2752 PRESSURE: 3431200 244.393 -14.7835 -39.2469 -14.7833 -197.453 137.364 -39.2464 137.365 332.701 GPRESSURE: 3431200 278.455 4.92522 -118.365 -29.8482 -182.745 139.164 -120.335 -29.1774 354.007 PRESSAVG: 3431200 26.1257 6.46318 -24.5082 6.46321 1.77918 -1.27618 -24.5082 -1.27623 13.6057 GPRESSAVG: 3431200 27.5043 6.0932 -23.2988 4.47946 0.113793 -1.40929 -26.6991 -2.02028 13.2923 TIMING: 3431200 CPU: 10908.9, 0.00315548/step Wall: 10908.9, 0.00315548/step, 1.37509 hours remaining, 241.062500 MB of memory in use. ENERGY: 3431200 3983.6450 20494.8616 14476.7312 266.1935 -203736.4367 2749.0036 0.0000 0.0000 51750.1344 -110015.8674 297.4087 -161766.0018 -109651.4535 298.6768 126.5471 149.9052 759917.3388 13.8369 13.6368 PRESSURE: 3431400 -298.019 71.5868 -255.597 71.5872 -365.907 -3.23656 -255.597 -3.23741 -374.553 GPRESSURE: 3431400 -250.139 113.633 -282.043 63.9869 -323.785 39.1159 -86.6625 -44.6667 -373.009 PRESSAVG: 3431400 11.4755 -33.1543 -61.4406 -33.1544 -8.20538 -23.1502 -61.4406 -23.1501 19.9337 GPRESSAVG: 3431400 11.7436 -30.9059 -62.3212 -32.1109 -7.92295 -22.9069 -61.0905 -23.3152 19.437 TIMING: 3431400 CPU: 10909.5, 0.00315193/step Wall: 10909.5, 0.00315193/step, 1.37337 hours remaining, 241.062500 MB of memory in use. ENERGY: 3431400 4011.0064 20284.0299 14542.8296 256.3555 -203164.0378 2339.1335 0.0000 0.0000 51817.3336 -109913.3493 297.7949 -161730.6829 -109554.3232 298.1489 -346.1601 -315.6443 760737.6739 7.7346 7.7526 PRESSURE: 3431600 19.6254 22.22 196.622 22.2197 -505.172 84.9203 196.622 84.9203 -383.386 GPRESSURE: 3431600 -33.5396 7.94423 245.413 35.6472 -411.087 101.101 212.316 70.8049 -331.777 PRESSAVG: 3431600 -41.8982 -38.4659 -5.04509 -38.4659 29.7298 -37.2192 -5.04509 -37.2193 -21.157 GPRESSAVG: 3431600 -42.9403 -38.2732 -4.91352 -38.5089 30.5905 -37.5912 -2.14257 -37.9196 -20.8731 TIMING: 3431600 CPU: 10910.2, 0.00313844/step Wall: 10910.2, 0.00313844/step, 1.36731 hours remaining, 241.062500 MB of memory in use. ENERGY: 3431600 4026.7768 20471.9186 14535.3733 243.5406 -203554.2591 2487.9928 0.0000 0.0000 51817.5253 -109971.1319 297.7960 -161788.6571 -109625.1959 298.6257 -289.6445 -258.8011 761306.5866 -11.1085 -11.0743 PRESSURE: 3431800 -64.188 6.86608 73.7535 6.86599 -125.131 -164.036 73.7534 -164.036 137.009 GPRESSURE: 3431800 -23.6646 -82.4779 130.707 37.1287 -115.988 -82.3 142.288 -19.8921 179.101 PRESSAVG: 3431800 46.1395 -54.745 29.2739 -54.7449 -8.23205 -36.3366 29.2738 -36.3365 21.277 GPRESSAVG: 3431800 45.9113 -57.6603 29.0589 -54.1838 -8.14037 -37.2049 28.6638 -33.3139 21.5231 TIMING: 3431800 CPU: 10910.8, 0.00314276/step Wall: 10910.8, 0.00314276/step, 1.36902 hours remaining, 241.062500 MB of memory in use. ENERGY: 3431800 3935.5771 20507.1973 14463.7277 234.9287 -203258.3758 2166.3792 0.0000 0.0000 51895.6998 -110054.8659 298.2453 -161950.5657 -109686.9071 298.4817 -17.4364 13.1494 760807.9803 19.7282 19.7647 PRESSURE: 3432000 -454.16 -59.0499 216.837 -59.0486 -301.379 -307.374 216.837 -307.374 -228.408 GPRESSURE: 3432000 -402.415 -38.3634 172.886 -36.1178 -306.611 -281.427 48.7736 -328.234 -199.962 PRESSAVG: 3432000 43.3141 -57.8341 14.4195 -57.8341 -77.9489 5.92069 14.4195 5.92073 16.8067 GPRESSAVG: 3432000 43.74 -57.6842 15.0573 -59.2127 -78.1093 7.63206 13.3872 4.29026 15.7592 TIMING: 3432000 CPU: 10911.4, 0.00314031/step Wall: 10911.4, 0.00314031/step, 1.36778 hours remaining, 241.062500 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: 3432000 4003.1056 20272.5505 14512.6678 239.0167 -203125.0724 2250.1456 0.0000 0.0000 51845.4820 -110002.1043 297.9567 -161847.5863 -109636.2808 297.8416 -327.9824 -302.9958 760840.6799 -5.9427 -6.2034 PRESSURE: 3432200 -395.178 145.001 63.8918 145.002 -270.691 119.277 63.8918 119.277 19.1799 GPRESSURE: 3432200 -266.684 67.7413 -58.3789 97.806 -300.213 141.858 102.475 167.303 17.3386 PRESSAVG: 3432200 15.6469 -68.2134 -12.1217 -68.2134 6.42974 -53.6186 -12.1218 -53.6187 -8.41843 GPRESSAVG: 3432200 15.7135 -68.933 -12.5402 -64.7331 6.44062 -54.2285 -12.8716 -54.2742 -8.46806 TIMING: 3432200 CPU: 10912, 0.00314127/step Wall: 10912, 0.00314127/step, 1.36802 hours remaining, 241.062500 MB of memory in use. ENERGY: 3432200 3990.4237 20337.7530 14514.8184 257.3306 -203196.0363 2109.1362 0.0000 0.0000 52072.2768 -109914.2975 299.2601 -161986.5743 -109549.5971 298.3643 -215.5629 -183.1862 758909.3617 4.5527 4.5620 LDB: ============= START OF LOAD BALANCING ============== 10924.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10924.5 LDB: =============== DONE WITH MIGRATION ================ 10924.5 LDB: ============= START OF LOAD BALANCING ============== 10924.8 LDB: Largest compute 7032 load 0.033175 is 17.0% of average load 0.195371 LDB: Average compute 0.004398 is 2.3% of average load 0.195371 LDB: TIME 10924.8 LOAD: AVG 0.195371 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 10924.8 LOAD: AVG 0.195371 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: TIME 10924.8 LOAD: AVG 0.195371 MAX 0.217236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: ============== END OF LOAD BALANCING =============== 10924.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10924.8 PRESSURE: 3432400 -292.478 98.9127 236.879 98.9122 -113.234 -32.8749 236.878 -32.875 -267.252 GPRESSURE: 3432400 -301.801 48.4363 247.94 100.178 -40.7761 9.95956 143.212 -29.8403 -245.344 PRESSAVG: 3432400 -19.4078 0.321778 27.3732 0.3218 44.1425 52.708 27.3732 52.708 6.04709 GPRESSAVG: 3432400 -18.5687 1.78689 27.2914 -1.78749 42.9489 52.4634 27.9883 53.324 6.77867 TIMING: 3432400 CPU: 10912.7, 0.00320171/step Wall: 10912.7, 0.00320171/step, 1.39417 hours remaining, 239.835938 MB of memory in use. ENERGY: 3432400 3964.0069 20425.8024 14500.3935 231.7394 -203165.8296 2320.1404 0.0000 0.0000 51831.8238 -109891.9233 297.8782 -161723.7471 -109544.8799 298.8646 -224.3214 -195.9735 760462.2137 10.2606 10.3863 PRESSURE: 3432600 -153.584 -68.5236 281.846 -68.5246 -188.369 177.863 281.845 177.864 3.20397 GPRESSURE: 3432600 -86.6028 -42.454 340.649 -49.0452 -199.857 181.044 383.289 95.0518 22.9113 PRESSAVG: 3432600 9.57196 -4.3397 24.007 -4.33968 -10.092 9.20065 24.0071 9.20057 -3.09717 GPRESSAVG: 3432600 9.51238 -4.05873 25.7893 -6.1667 -9.83486 10.2565 22.0858 7.83674 -3.53158 TIMING: 3432600 CPU: 10913.3, 0.00312569/step Wall: 10913.3, 0.00312569/step, 1.36089 hours remaining, 240.039062 MB of memory in use. ENERGY: 3432600 3989.2233 20380.4560 14575.0226 245.9059 -203169.6400 2322.7606 0.0000 0.0000 51956.7122 -109699.5595 298.5959 -161656.2717 -109345.6403 298.6314 -112.9163 -87.8497 760695.2871 -1.2057 -1.2847 PRESSURE: 3432800 -118.999 -25.0741 -127.474 -25.0741 156.147 -61.5466 -127.475 -61.5471 460.35 GPRESSURE: 3432800 -30.1375 -65.7798 -107.856 -5.55054 258.409 39.4827 -193.644 -241.712 364.716 PRESSAVG: 3432800 11.2279 -35.8653 -50.5115 -35.8653 -11.1882 9.60857 -50.5115 9.60851 1.60232 GPRESSAVG: 3432800 10.774 -35.6692 -51.6586 -33.5615 -11.0755 8.6039 -50.5092 9.44197 1.86006 TIMING: 3432800 CPU: 10913.9, 0.00311251/step Wall: 10913.9, 0.00311251/step, 1.35498 hours remaining, 240.039062 MB of memory in use. ENERGY: 3432800 3999.3388 20533.6356 14490.7586 255.5875 -203850.7963 2777.8888 0.0000 0.0000 52079.6646 -109713.9223 299.3025 -161793.5869 -109356.9294 299.2266 165.8329 197.6624 758831.3715 0.5474 0.5195 PRESSURE: 3433000 25.3937 -163.023 62.0549 -163.023 340.423 -68.61 62.0549 -68.6107 -239.978 GPRESSURE: 3433000 43.4766 -221.961 123.636 -85.8092 330.488 -111.579 9.31117 -133.371 -164.032 PRESSAVG: 3433000 -17.955 1.20008 -28.2997 1.20009 59.387 18.9754 -28.2996 18.9754 13.8923 GPRESSAVG: 3433000 -18.8713 1.27506 -26.4222 1.16153 59.0522 17.2468 -27.1844 21.7764 15.1304 TIMING: 3433000 CPU: 10914.5, 0.00311396/step Wall: 10914.5, 0.00311396/step, 1.35544 hours remaining, 240.039062 MB of memory in use. ENERGY: 3433000 4009.3732 20462.0938 14455.0092 236.5367 -203229.7136 2230.6638 0.0000 0.0000 52035.7550 -109800.2819 299.0502 -161836.0369 -109437.2016 299.8397 41.9462 69.9775 759323.6829 18.4415 18.4371 PRESSURE: 3433200 195.02 -6.63002 66.4326 -6.62978 -73.1012 -52.7405 66.4325 -52.7406 483.838 GPRESSURE: 3433200 187.892 71.7544 35.6985 -57.5126 29.2166 -11.0768 129.846 -182.637 490.297 PRESSAVG: 3433200 12.039 -15.2208 11.1052 -15.2209 -46.6131 5.79326 11.1052 5.79316 19.6421 GPRESSAVG: 3433200 12.5925 -16.7089 8.72323 -14.1733 -45.7225 5.84523 11.718 6.17738 18.4668 TIMING: 3433200 CPU: 10915.2, 0.00313838/step Wall: 10915.2, 0.00313838/step, 1.36589 hours remaining, 240.039062 MB of memory in use. ENERGY: 3433200 4009.2980 20484.2129 14395.3190 245.4959 -203876.2573 2743.6609 0.0000 0.0000 52063.9708 -109934.2998 299.2124 -161998.2705 -109573.0382 299.0078 201.9189 235.8021 759016.0069 -4.9773 -4.8877 PRESSURE: 3433400 -3.57342 21.4495 -8.39066 21.4491 -117.77 39.6768 -8.38996 39.6774 -3.16109 GPRESSURE: 3433400 3.40654 3.39749 -62.6452 -137.433 -15.3813 89.9911 -193.687 10.7539 -41.2297 PRESSAVG: 3433400 -1.91523 43.8453 -25.7764 43.8453 -47.1223 -6.73233 -25.7765 -6.73231 10.952 GPRESSAVG: 3433400 -2.10373 44.1143 -25.3773 41.6659 -46.862 -5.13643 -26.0113 -7.30472 10.5688 TIMING: 3433400 CPU: 10915.8, 0.00314644/step Wall: 10915.8, 0.00314644/step, 1.36923 hours remaining, 240.039062 MB of memory in use. ENERGY: 3433400 3996.8547 20595.3784 14479.8528 223.2839 -203808.0591 2550.1117 0.0000 0.0000 51914.3489 -110048.2286 298.3525 -161962.5775 -109687.3408 298.4679 -41.5016 -17.7348 760128.4673 -12.6952 -12.7990 PRESSURE: 3433600 -226.279 -115.314 160.732 -115.314 308.703 195.223 160.732 195.223 -240.92 GPRESSURE: 3433600 -152.018 -87.8529 156.151 -87.5253 271.313 233.659 163.36 104.191 -208.592 PRESSAVG: 3433600 14.721 17.0228 -47.6295 17.0228 -10.1363 3.68901 -47.6295 3.68902 -2.63525 GPRESSAVG: 3433600 15.3714 18.497 -45.9024 16.6749 -10.7529 2.50615 -48.9836 2.30853 -3.31795 TIMING: 3433600 CPU: 10916.4, 0.00314834/step Wall: 10916.4, 0.00314834/step, 1.36988 hours remaining, 240.039062 MB of memory in use. ENERGY: 3433600 3989.6944 20571.8584 14527.5915 255.1460 -203793.6599 2559.1052 0.0000 0.0000 51871.7616 -110018.5028 298.1077 -161890.2644 -109660.8274 298.6545 -52.8320 -29.7658 758655.2538 0.6498 0.4335 PRESSURE: 3433800 -75.6644 -100.738 -161.659 -100.738 238.615 164.025 -161.657 164.025 -26.0967 GPRESSURE: 3433800 -43.4655 -57.6588 -190.652 -35.7632 232.686 37.5311 -29.8568 40.3255 30.2217 PRESSAVG: 3433800 32.9582 8.11587 -22.5861 8.11584 -28.3401 -4.34472 -22.586 -4.34476 -22.6147 GPRESSAVG: 3433800 31.2721 8.76006 -23.928 9.41915 -27.4388 -3.92546 -21.8864 -3.23973 -21.5689 TIMING: 3433800 CPU: 10917.1, 0.00313172/step Wall: 10917.1, 0.00313172/step, 1.36247 hours remaining, 240.039062 MB of memory in use. ENERGY: 3433800 4061.6369 20369.8681 14452.5361 244.4814 -203581.2677 2247.7891 0.0000 0.0000 52091.2762 -110113.6799 299.3693 -162204.9561 -109752.2799 298.9348 45.6179 73.1475 757917.4039 -5.9989 -5.9119 PRESSURE: 3434000 134.901 -123.614 -219.548 -123.614 -213.383 -144.029 -219.548 -144.029 190.117 GPRESSURE: 3434000 135.081 -146.431 -185.253 25.7969 -150.546 -170.985 -144.076 -107.535 198.652 PRESSAVG: 3434000 23.7622 -2.67412 -12.4538 -2.67406 28.8545 50.0368 -12.4538 50.0368 -2.00935 GPRESSAVG: 3434000 25.5014 -3.25752 -13.3157 -2.88076 27.7009 48.4436 -9.66399 51.298 -2.94364 TIMING: 3434000 CPU: 10917.7, 0.00312541/step Wall: 10917.7, 0.00312541/step, 1.35955 hours remaining, 240.039062 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: 3434000 4033.6945 20563.1830 14498.5315 252.0701 -204190.4719 2732.8697 0.0000 0.0000 51893.2086 -110216.9145 298.2310 -162110.1231 -109870.3910 298.7997 37.2117 61.0623 756615.1251 16.8691 16.7529 PRESSURE: 3434200 327.033 160.345 -96.821 160.345 415.059 40.8636 -96.821 40.8629 60.5621 GPRESSURE: 3434200 342.289 196.75 -122.697 257.612 444.387 149.695 -8.69001 70.8774 111.935 PRESSAVG: 3434200 45.0672 8.07538 -48.3194 8.07543 -82.7922 -42.5197 -48.3194 -42.5197 15.0923 GPRESSAVG: 3434200 44.1453 7.77821 -48.7763 8.56662 -82.4904 -40.7286 -49.6634 -44.4248 15.8364 TIMING: 3434200 CPU: 10918.3, 0.00312395/step Wall: 10918.3, 0.00312395/step, 1.35875 hours remaining, 240.039062 MB of memory in use. ENERGY: 3434200 3979.7685 20576.2506 14475.2497 246.5954 -204195.3984 2928.0240 0.0000 0.0000 51996.8628 -109992.6474 298.8267 -161989.5102 -109626.6904 298.2803 267.5515 299.5369 757484.7037 -7.5442 -7.5029 PRESSURE: 3434400 -86.0983 -40.1829 -210.572 -40.1834 185.784 -47.5023 -210.572 -47.5033 117.714 GPRESSURE: 3434400 -112.108 -60.024 -71.333 -127.59 295.973 -130.823 -276.601 16.4897 122.527 PRESSAVG: 3434400 58.2472 18.565 -13.9301 18.5649 -67.7708 -22.1168 -13.9301 -22.1167 2.33963 GPRESSAVG: 3434400 59.1033 18.0494 -10.7629 19.0155 -68.3111 -23.6182 -15.3063 -21.0516 1.94019 TIMING: 3434400 CPU: 10918.9, 0.00312542/step Wall: 10918.9, 0.00312542/step, 1.35921 hours remaining, 240.039062 MB of memory in use. ENERGY: 3434400 3993.9721 20429.1226 14450.0866 253.2277 -203694.1730 2478.1406 0.0000 0.0000 52179.8165 -109909.8070 299.8781 -162089.6235 -109536.1908 298.3375 72.4666 102.1303 757622.2881 -2.3947 -2.4226 PRESSURE: 3434600 223.222 -13.0606 88.8912 -13.0604 121.779 222.575 88.8906 222.573 -112.119 GPRESSURE: 3434600 263.828 15.1465 139.474 -44.6297 123.619 176.437 111.646 187.734 -72.486 PRESSAVG: 3434600 -18.5347 -12.7698 -23.1733 -12.7698 20.9344 21.5257 -23.1733 21.5257 6.97725 GPRESSAVG: 3434600 -17.3759 -10.8504 -24.3774 -14.8016 20.9054 21.905 -23.382 20.2485 6.20196 TIMING: 3434600 CPU: 10919.6, 0.00316581/step Wall: 10919.6, 0.00316581/step, 1.3766 hours remaining, 240.039062 MB of memory in use. ENERGY: 3434600 4005.9749 20468.0551 14445.2339 250.2892 -203905.4349 2682.4652 0.0000 0.0000 52050.8456 -110002.5709 299.1369 -162053.4166 -109637.5229 298.6249 77.6271 104.9870 759812.0706 3.1256 3.2438 PRESSURE: 3434800 -189.876 166.756 -99.1265 166.756 96.0039 -80.7493 -99.126 -80.7486 21.8644 GPRESSURE: 3434800 -100.916 191.12 -227.097 85.8628 103.009 -132.873 -155.825 -82.4831 9.24196 PRESSAVG: 3434800 70.4935 -62.5306 0.60719 -62.5306 -46.7887 8.70188 0.607119 8.7019 -1.19475 GPRESSAVG: 3434800 70.6288 -63.5001 -1.41337 -61.751 -47.5961 7.36501 -0.644849 8.65603 -0.786943 TIMING: 3434800 CPU: 10920.2, 0.00312746/step Wall: 10920.2, 0.00312746/step, 1.35975 hours remaining, 240.039062 MB of memory in use. ENERGY: 3434800 3955.0388 20498.1159 14417.3634 275.9484 -203462.0204 2338.0157 0.0000 0.0000 52075.3140 -109902.2241 299.2775 -161977.5381 -109548.2922 298.4201 -24.0025 3.7783 758846.1853 7.5033 7.4153 PRESSURE: 3435000 -129.745 -140.173 -34.1977 -140.173 -105.981 59.5565 -34.197 59.5565 -59.1568 GPRESSURE: 3435000 21.76 -61.1251 -142.491 -72.8279 -130.904 -0.111683 -14.5885 127.141 -95.6051 PRESSAVG: 3435000 52.0291 -29.8714 4.84421 -29.8713 -7.75169 -15.3485 4.84428 -15.3485 -4.80655 GPRESSAVG: 3435000 51.2168 -28.2287 5.86216 -31.7505 -6.72622 -15.3973 6.7316 -13.2825 -4.70129 TIMING: 3435000 CPU: 10920.8, 0.00316313/step Wall: 10920.8, 0.00316313/step, 1.37508 hours remaining, 240.039062 MB of memory in use. ENERGY: 3435000 3912.2714 20675.2744 14531.0193 246.7646 -203642.6611 2568.7276 0.0000 0.0000 51962.1044 -109746.4993 298.6269 -161708.6037 -109390.1259 299.0912 -98.2941 -68.2496 760379.3153 13.1569 13.2631 PRESSURE: 3435200 -36.073 2.60608 85.9388 2.60557 -65.7259 -8.4897 85.9395 -8.48955 -267.846 GPRESSURE: 3435200 -59.0575 -65.9309 54.6241 -13.6787 -26.7256 6.72764 88.1912 95.4157 -206.762 PRESSAVG: 3435200 0.116507 -7.23311 -24.1506 -7.23317 1.37082 31.9101 -24.1506 31.9101 -6.38302 GPRESSAVG: 3435200 -0.0326325 -8.21487 -24.9534 -4.90671 1.26703 34.0885 -24.4107 29.1295 -5.99371 TIMING: 3435200 CPU: 10921.5, 0.00313601/step Wall: 10921.5, 0.00313601/step, 1.36312 hours remaining, 240.039062 MB of memory in use. ENERGY: 3435200 3941.8902 20449.1864 14525.7322 238.3995 -203685.7410 2467.4880 0.0000 0.0000 52362.2250 -109700.8198 300.9264 -162063.0448 -109332.7616 299.2161 -123.2148 -97.5151 759217.6912 -1.6319 -1.5864 PRESSURE: 3435400 -263.528 -50.2174 97.7585 -50.2166 159.909 -31.3347 97.7583 -31.3347 47.2917 GPRESSURE: 3435400 -217.989 107.352 103.182 -107.213 167.997 -103.785 97.2645 -147.369 81.9571 PRESSAVG: 3435400 19.2088 -61.9178 8.31789 -61.9178 9.76095 16.1734 8.31797 16.1734 7.09151 GPRESSAVG: 3435400 20.0822 -60.9934 10.4138 -63.0675 8.42976 15.73 6.62008 18.298 7.61882 TIMING: 3435400 CPU: 10922.1, 0.00314276/step Wall: 10922.1, 0.00314276/step, 1.36588 hours remaining, 240.039062 MB of memory in use. ENERGY: 3435400 3885.1873 20489.2206 14500.6407 231.2221 -203605.3218 2490.4979 0.0000 0.0000 52308.0506 -109700.5026 300.6151 -162008.5531 -109325.9382 299.3131 -18.7756 10.6549 759685.3893 12.0204 12.0436 PRESSURE: 3435600 4.90831 10.8464 -189.25 10.8474 -454.49 -75.6241 -189.249 -75.6226 361.024 GPRESSURE: 3435600 39.1332 -14.5987 -78.8454 81.5865 -376.585 -56.203 2.85725 -139.711 334.954 PRESSAVG: 3435600 12.7664 -45.5748 -17.4808 -45.5747 -11.7626 10.3608 -17.4809 10.3608 27.6642 GPRESSAVG: 3435600 11.1956 -45.8781 -16.3259 -42.4714 -9.59075 10.0142 -15.3458 9.13083 26.8093 TIMING: 3435600 CPU: 10922.7, 0.00312932/step Wall: 10922.7, 0.00312932/step, 1.35986 hours remaining, 240.039062 MB of memory in use. ENERGY: 3435600 3941.7472 20458.7618 14548.7470 259.5950 -203285.6526 2434.7537 0.0000 0.0000 52053.5429 -109588.5051 299.1524 -161642.0480 -109218.9121 298.8521 -29.5193 -0.8328 761696.5861 9.5560 9.4714 PRESSURE: 3435800 124.706 5.52087 9.29765 5.52167 -69.9205 -70.1137 9.29732 -70.1146 7.82914 GPRESSURE: 3435800 211.626 17.159 49.0488 -39.1012 -48.7059 -153.872 3.73757 -24.2262 -48.8305 PRESSAVG: 3435800 10.2798 -47.7043 19.4733 -47.7042 -46.4988 -9.84036 19.4733 -9.84039 12.5336 GPRESSAVG: 3435800 11.1892 -47.0668 19.2878 -50.633 -47.6762 -9.54287 18.6194 -8.52522 12.8367 TIMING: 3435800 CPU: 10923.3, 0.00314225/step Wall: 10923.3, 0.00314225/step, 1.36531 hours remaining, 240.039062 MB of memory in use. ENERGY: 3435800 3969.0960 20557.6361 14518.2229 235.5114 -203582.1217 2616.2531 0.0000 0.0000 51829.5719 -109855.8304 297.8653 -161685.4022 -109494.0004 298.5669 20.8715 38.0299 761267.3586 -7.8951 -7.8834 PRESSURE: 3436000 -168.053 -48.2483 -28.2354 -48.2481 -379.822 37.3477 -28.2349 37.348 132.895 GPRESSURE: 3436000 -155.831 26.1256 45.6139 -169.721 -311.31 127.859 -80.8506 125.814 132.024 PRESSAVG: 3436000 33.3087 1.42005 24.6682 1.42008 -12.1344 12.337 24.6682 12.337 5.98377 GPRESSAVG: 3436000 32.611 -0.28328 24.0603 2.7816 -11.2472 10.7895 23.5024 14.6387 5.83547 TIMING: 3436000 CPU: 10924, 0.00313165/step Wall: 10924, 0.00313165/step, 1.36053 hours remaining, 240.039062 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: 3436000 4064.9667 20420.0577 14520.7877 255.2404 -203282.1976 2429.1988 0.0000 0.0000 51743.6592 -109848.2871 297.3715 -161591.9463 -109493.2753 298.6043 -138.3265 -111.7056 761312.0359 9.0527 9.0664 PRESSURE: 3436200 -154.519 185.603 205.401 185.602 -18.9793 -99.7257 205.402 -99.7266 -143.312 GPRESSURE: 3436200 -196.424 131.133 222.735 153.376 82.1864 -151.848 224.458 -168.533 -104.644 PRESSAVG: 3436200 36.72 -3.29288 42.9704 -3.29293 -82.4999 -8.00504 42.9704 -8.00507 -14.6999 GPRESSAVG: 3436200 36.7332 -2.08712 41.7597 -3.23077 -81.7556 -7.81064 44.2574 -10.1391 -15.2332 TIMING: 3436200 CPU: 10924.6, 0.00313935/step Wall: 10924.6, 0.00313935/step, 1.3637 hours remaining, 240.039062 MB of memory in use. ENERGY: 3436200 3963.7100 20609.1904 14481.0150 248.0482 -203235.4864 2375.7463 0.0000 0.0000 51931.4202 -109626.3563 298.4506 -161557.7765 -109268.6577 298.8635 -105.6036 -72.9605 762007.0621 -20.1599 -20.0852 LDB: ============= START OF LOAD BALANCING ============== 10937 LDB: ============== END OF LOAD BALANCING =============== 10937 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10937 LDB: ============= START OF LOAD BALANCING ============== 10937.4 LDB: Largest compute 7034 load 0.034112 is 17.5% of average load 0.195376 LDB: Average compute 0.004382 is 2.2% of average load 0.195376 LDB: TIME 10937.4 LOAD: AVG 0.195376 MAX 0.215439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 10937.4 LOAD: AVG 0.195376 MAX 0.215439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 10937.4 LOAD: AVG 0.195376 MAX 0.215439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 10937.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10937.4 PRESSURE: 3436400 -108.427 146.851 -167.072 146.852 308.994 299.095 -167.073 299.096 213.895 GPRESSURE: 3436400 -68.6456 119.121 -209.484 66.8465 276.122 475.799 -178.982 272.966 280.528 PRESSAVG: 3436400 -30.3728 -52.1992 -24.1713 -52.1992 4.1273 -15.453 -24.1713 -15.4529 4.22481 GPRESSAVG: 3436400 -30.4214 -53.4333 -24.6551 -52.9788 3.24554 -14.7004 -21.7586 -15.722 4.91358 TIMING: 3436400 CPU: 10925.2, 0.00322405/step Wall: 10925.2, 0.00322405/step, 1.40031 hours remaining, 240.093750 MB of memory in use. ENERGY: 3436400 3921.7285 20304.2194 14467.0865 251.8899 -203555.7649 2610.1935 0.0000 0.0000 52271.3362 -109729.3109 300.4041 -162000.6471 -109363.3876 298.8579 138.1541 162.6681 759114.2374 -7.3402 -7.4208 PRESSURE: 3436600 232.438 -24.7008 36.1769 -24.7011 35.2321 -259.602 36.1777 -259.602 -144.212 GPRESSURE: 3436600 202.42 8.53407 -101.085 21.591 40.8008 -242.133 113.563 -179.612 -34.3368 PRESSAVG: 3436600 -27.7931 -11.0074 -13.2148 -11.0073 -9.83156 15.7323 -13.2147 15.7324 12.6825 GPRESSAVG: 3436600 -27.5675 -11.208 -13.1356 -9.67986 -8.80383 13.9751 -15.5123 16.3206 11.4528 TIMING: 3436600 CPU: 10925.9, 0.00315595/step Wall: 10925.9, 0.00315595/step, 1.37056 hours remaining, 240.296875 MB of memory in use. ENERGY: 3436600 3953.8273 20456.8988 14482.4081 251.9810 -203794.2872 2716.8516 0.0000 0.0000 52108.2678 -109824.0526 299.4669 -161932.3204 -109468.0767 298.6015 41.1526 69.6279 759978.6339 -8.3140 -8.3062 PRESSURE: 3436800 228.426 -68.3938 21.1466 -68.3935 201.752 74.3397 21.1467 74.3397 196.399 GPRESSURE: 3436800 258.378 -106.979 -32.9713 -113.116 216.171 105.3 27.0626 145.245 230.215 PRESSAVG: 3436800 14.0163 -8.92481 -22.2043 -8.92477 -10.279 35.8504 -22.2044 35.8504 8.12564 GPRESSAVG: 3436800 12.9487 -11.0754 -21.1017 -10.4878 -9.98806 36.6219 -21.0152 34.9075 9.43584 TIMING: 3436800 CPU: 10926.5, 0.00317646/step Wall: 10926.5, 0.00317646/step, 1.37929 hours remaining, 240.296875 MB of memory in use. ENERGY: 3436800 3922.7074 20515.4353 14484.1401 255.3373 -203663.2760 2724.1855 0.0000 0.0000 51961.1048 -109800.3655 298.6212 -161761.4703 -109434.0098 298.5789 208.8591 234.9215 760537.3794 3.9543 4.1321 PRESSURE: 3437000 -222.751 103.353 122.965 103.353 379.848 -142.815 122.964 -142.814 -8.95814 GPRESSURE: 3437000 -149.334 167.01 108.356 43.6839 340.527 -196.631 103.992 -99.6079 45.3113 PRESSAVG: 3437000 22.8897 5.29545 -6.38368 5.29542 -45.4465 67.6129 -6.38368 67.6128 -16.9404 GPRESSAVG: 3437000 24.3399 7.47954 -6.27347 6.03296 -47.0278 67.0376 -7.94321 68.7492 -16.7327 TIMING: 3437000 CPU: 10927.1, 0.00315007/step Wall: 10927.1, 0.00315007/step, 1.36766 hours remaining, 240.296875 MB of memory in use. ENERGY: 3437000 3989.5636 20527.5949 14573.3048 236.8564 -203487.6252 2707.0322 0.0000 0.0000 51789.8484 -109663.4250 297.6370 -161453.2733 -109300.6619 299.0805 49.3794 78.8349 760924.1753 -13.1657 -13.1402 PRESSURE: 3437200 -326.923 -68.4907 12.7425 -68.49 -95.4619 -43.8578 12.7432 -43.8575 -59.6674 GPRESSURE: 3437200 -257.591 -127.833 10.7135 75.3777 2.15198 -45.9428 82.1042 -65.8925 -136.092 PRESSAVG: 3437200 6.40144 11.2863 -7.65945 11.2863 6.60495 27.0619 -7.65943 27.062 -11.4627 GPRESSAVG: 3437200 6.39636 11.3739 -8.09295 11.2549 8.34215 28.195 -5.98802 25.5682 -12.9981 TIMING: 3437200 CPU: 10927.8, 0.00314091/step Wall: 10927.8, 0.00314091/step, 1.36351 hours remaining, 240.296875 MB of memory in use. ENERGY: 3437200 3975.4059 20490.7453 14489.5613 248.7285 -203826.9544 2548.4573 0.0000 0.0000 52322.2189 -109751.8372 300.6965 -162074.0560 -109388.8571 298.9588 -160.6842 -130.5102 760978.9443 0.5146 0.5801 PRESSURE: 3437400 26.6833 88.6717 153.553 88.672 -294.089 145.397 153.554 145.397 20.546 GPRESSURE: 3437400 38.888 137.679 210.481 113.295 -203.906 93.6278 22.5631 71.4684 1.28035 PRESSAVG: 3437400 -26.4024 -3.26448 14.762 -3.26443 -5.65501 15.5974 14.762 15.5974 6.9368 GPRESSAVG: 3437400 -25.5001 -3.41636 13.5478 -4.08162 -5.72429 15.4298 14.617 14.6367 6.50997 TIMING: 3437400 CPU: 10928.4, 0.00317018/step Wall: 10928.4, 0.00317018/step, 1.37603 hours remaining, 240.296875 MB of memory in use. ENERGY: 3437400 4009.5540 20417.7031 14508.6759 264.5911 -203362.9844 2259.1804 0.0000 0.0000 52107.0447 -109796.2352 299.4599 -161903.2799 -109425.5443 298.5895 -82.2866 -54.5791 761164.9118 -8.3735 -8.2381 PRESSURE: 3437600 137.561 32.8979 173.392 32.8987 63.9052 24.8989 173.391 24.8984 -114.514 GPRESSURE: 3437600 252.404 99.4522 210.803 137.449 33.657 43.8987 189.321 35.6597 -102.758 PRESSAVG: 3437600 4.88538 6.26103 70.9005 6.26102 10.8261 -28.6105 70.9005 -28.6105 1.46065 GPRESSAVG: 3437600 4.65443 8.21585 71.6886 5.91478 9.51273 -27.7341 70.0855 -26.9403 2.83528 TIMING: 3437600 CPU: 10929, 0.00314725/step Wall: 10929, 0.00314725/step, 1.3659 hours remaining, 240.296875 MB of memory in use. ENERGY: 3437600 4060.4670 20649.4937 14465.1585 255.6647 -203612.6971 2790.5034 0.0000 0.0000 51687.7084 -109703.7015 297.0500 -161391.4098 -109351.3394 298.7908 28.9840 61.1011 761196.9142 5.7240 5.6675 PRESSURE: 3437800 322.469 -154.432 8.14277 -154.432 91.157 38.4073 8.14276 38.4083 316.028 GPRESSURE: 3437800 300.177 -253.269 29.5472 -163.405 157.1 57.3505 82.6796 -47.8365 362.403 PRESSAVG: 3437800 9.05789 -37.3365 39.7563 -37.3365 -14.5098 -35.8605 39.7563 -35.8604 8.17469 GPRESSAVG: 3437800 8.86059 -38.8679 39.887 -35.2075 -13.6229 -36.3726 39.7042 -35.7857 7.05843 TIMING: 3437800 CPU: 10929.7, 0.00316361/step Wall: 10929.7, 0.00316361/step, 1.37283 hours remaining, 240.296875 MB of memory in use. ENERGY: 3437800 3994.9992 20488.0231 14430.7136 226.6989 -203492.3197 2708.5152 0.0000 0.0000 52070.6645 -109572.7052 299.2508 -161643.3697 -109214.9300 298.9599 243.2181 273.2263 760464.2476 0.9076 0.7654 PRESSURE: 3438000 -144.817 84.3851 -326.617 84.3846 -276.151 44.8752 -326.616 44.8761 -176.514 GPRESSURE: 3438000 -181.048 78.4356 -324.913 94.7696 -146.857 125.944 -213.258 26.34 -184.783 PRESSAVG: 3438000 7.45526 -13.5181 46.9461 -13.5182 17.7024 -16.5278 46.9461 -16.5277 23.7542 GPRESSAVG: 3438000 7.35215 -14.2773 48.0555 -14.1857 16.0962 -14.7545 48.1767 -18.7924 25.3661 TIMING: 3438000 CPU: 10930.3, 0.00316556/step Wall: 10930.3, 0.00316556/step, 1.3735 hours remaining, 240.296875 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: 3438000 4003.2154 20500.3765 14455.9345 238.9379 -202987.3425 2159.9220 0.0000 0.0000 51784.7946 -109844.1617 297.6079 -161628.9563 -109485.0792 298.4729 -199.1605 -170.8961 762114.9397 16.3039 16.2715 PRESSURE: 3438200 -91.4693 -258.129 24.0616 -258.129 374.668 -215.378 24.0625 -215.378 -279.046 GPRESSURE: 3438200 -117.603 -177.23 42.7902 -122.089 433.156 -177.712 24.7674 -63.0009 -235.421 PRESSAVG: 3438200 -17.3472 -8.92835 -6.96229 -8.92837 -10.4648 -19.5999 -6.96229 -19.5998 -0.751459 GPRESSAVG: 3438200 -18.1623 -8.87848 -7.26234 -7.3906 -9.49782 -21.3797 -7.61072 -17.0422 -1.62277 TIMING: 3438200 CPU: 10930.9, 0.00313127/step Wall: 10930.9, 0.00313127/step, 1.35845 hours remaining, 240.296875 MB of memory in use. ENERGY: 3438200 4030.7304 20697.4271 14504.4147 248.5125 -203601.6442 2615.6866 0.0000 0.0000 51763.9959 -109740.8772 297.4884 -161504.8730 -109380.8842 298.6070 1.3842 26.7107 760208.5793 -9.5212 -9.7610 PRESSURE: 3438400 -58.1642 -104.637 69.3514 -104.637 12.5774 -67.6117 69.3517 -67.6121 -106.329 GPRESSURE: 3438400 42.871 -119.67 30.2402 -25.6957 -8.53388 44.1357 47.3193 -85.2351 -79.683 PRESSAVG: 3438400 35.1706 -31.5343 -5.41484 -31.5342 -52.265 70.1998 -5.41485 70.1997 25.5051 GPRESSAVG: 3438400 35.7392 -29.9731 -4.9336 -36.1584 -52.2808 69.8804 -6.21457 69.9788 24.7384 TIMING: 3438400 CPU: 10931.5, 0.00315116/step Wall: 10931.5, 0.00315116/step, 1.3669 hours remaining, 240.296875 MB of memory in use. ENERGY: 3438400 3982.6406 20629.9097 14480.0700 235.0235 -203643.7662 2634.9823 0.0000 0.0000 51964.5812 -109716.5589 298.6412 -161681.1401 -109353.6142 299.0326 -50.6387 -15.1153 759762.3450 2.8036 2.7323 PRESSURE: 3438600 -192.42 310.562 216.468 310.562 -177.434 121.161 216.467 121.161 -324.261 GPRESSURE: 3438600 -121.343 310.487 185.807 245.583 -146.339 132.663 168.566 -25.881 -327.319 PRESSAVG: 3438600 39.7491 27.9351 16.8963 27.9351 -27.9174 15.5197 16.8963 15.5197 9.60143 GPRESSAVG: 3438600 41.1984 27.0594 14.5486 30.4989 -28.7706 15.3017 16.9122 16.613 9.16125 TIMING: 3438600 CPU: 10932.2, 0.00311836/step Wall: 10932.2, 0.00311836/step, 1.3525 hours remaining, 240.296875 MB of memory in use. ENERGY: 3438600 4022.1915 20651.1319 14473.4566 229.5723 -203562.5198 2401.9089 0.0000 0.0000 52104.7207 -109679.5379 299.4465 -161784.2585 -109314.6996 299.3515 -231.3718 -198.3338 759021.7766 7.1444 7.1964 PRESSURE: 3438800 419.709 102.138 41.1047 102.138 187.595 -71.2499 41.1053 -71.2501 321.662 GPRESSURE: 3438800 491.89 76.4539 -0.75683 175.965 190.727 -77.5958 11.3288 -95.4944 302.536 PRESSAVG: 3438800 47.6403 81.3833 -23.1533 81.3833 -82.3731 4.9946 -23.1533 4.99458 -10.9773 GPRESSAVG: 3438800 46.3033 81.188 -20.3722 82.0348 -81.0903 5.09559 -22.7927 3.90095 -10.7704 TIMING: 3438800 CPU: 10932.8, 0.00311872/step Wall: 10932.8, 0.00311872/step, 1.35248 hours remaining, 240.296875 MB of memory in use. ENERGY: 3438800 3974.6882 20576.3151 14487.4592 247.7512 -203876.5593 2870.3696 0.0000 0.0000 52026.2599 -109693.7161 298.9956 -161719.9760 -109331.1568 298.9387 309.6554 328.3842 758788.6732 -15.2367 -15.1858 PRESSURE: 3439000 -158.354 -75.503 -34.1384 -75.5029 20.8389 -207.32 -34.1383 -207.32 156.62 GPRESSURE: 3439000 -150.192 -75.4442 -121.269 -86.6298 62.7379 -216.579 -58.1595 -243.234 183.278 PRESSAVG: 3439000 42.633 -18.9808 -55.5871 -18.9808 -38.8713 -57.45 -55.5871 -57.45 -8.36075 GPRESSAVG: 3439000 43.1752 -18.2213 -56.6912 -20.3488 -39.6499 -58.2946 -55.4844 -57.8086 -7.09211 TIMING: 3439000 CPU: 10933.4, 0.00312759/step Wall: 10933.4, 0.00312759/step, 1.35616 hours remaining, 240.296875 MB of memory in use. ENERGY: 3439000 3931.6127 20494.1194 14564.6821 249.2948 -203458.6128 2448.0280 0.0000 0.0000 52129.6450 -109641.2309 299.5898 -161770.8758 -109274.6994 299.3313 6.3683 31.9414 760797.2593 -1.5330 -1.1889 PRESSURE: 3439200 -189.181 69.7786 -407.357 69.7793 -48.2053 0.620715 -407.357 0.619534 -4.78306 GPRESSURE: 3439200 -145.115 30.0732 -385.729 35.9154 -54.0308 -52.1501 -193.598 8.1923 46.4489 PRESSAVG: 3439200 26.0135 19.7379 -49.6732 19.7379 -41.9424 -37.1767 -49.6731 -37.1767 7.93839 GPRESSAVG: 3439200 25.9901 19.1333 -49.5183 19.2857 -41.1507 -35.6588 -48.6914 -36.7742 7.97041 TIMING: 3439200 CPU: 10934.1, 0.00318369/step Wall: 10934.1, 0.00318369/step, 1.38031 hours remaining, 240.296875 MB of memory in use. ENERGY: 3439200 3958.0527 20495.5467 14584.3750 262.7349 -203424.0799 2333.3403 0.0000 0.0000 52208.2460 -109581.7843 300.0415 -161790.0304 -109210.5527 299.0889 -80.7231 -50.8990 760515.8824 -2.6635 -2.3967 PRESSURE: 3439400 -99.6731 -62.0645 75.7903 -62.065 -299.309 49.0482 75.7897 49.0469 17.5653 GPRESSURE: 3439400 -89.8097 -143.683 86.9896 57.014 -107.748 159.604 37.6436 7.54939 -83.5718 PRESSAVG: 3439400 -4.78654 9.59635 3.40827 9.59637 -3.32448 -12.9094 3.40828 -12.9095 -2.09339 GPRESSAVG: 3439400 -4.47869 8.57201 2.16937 13.4562 -2.36746 -12.5383 3.71536 -13.6284 -2.99262 TIMING: 3439400 CPU: 10934.7, 0.00312533/step Wall: 10934.7, 0.00312533/step, 1.35483 hours remaining, 240.296875 MB of memory in use. ENERGY: 3439400 4064.1560 20573.9815 14465.9321 247.2475 -203536.1605 2615.8357 0.0000 0.0000 51844.7660 -109724.2418 297.9526 -161569.0078 -109372.9039 299.4754 -127.1391 -93.7098 759324.6171 -3.4015 -3.2796 PRESSURE: 3439600 -186.235 30.2875 -35.0833 30.2874 185.811 116.082 -35.0825 116.081 177.802 GPRESSURE: 3439600 -64.6388 -28.235 67.0618 74.1878 128.423 121.894 -32.3684 147.743 184.891 PRESSAVG: 3439600 17.4586 67.9975 -1.47201 67.9975 -24.9907 -47.1543 -1.47199 -47.1543 -5.63929 GPRESSAVG: 3439600 16.7122 68.965 -1.88702 65.6726 -25.5998 -47.7114 -2.55338 -49.3791 -5.08403 TIMING: 3439600 CPU: 10935.3, 0.00311834/step Wall: 10935.3, 0.00311834/step, 1.35163 hours remaining, 240.296875 MB of memory in use. ENERGY: 3439600 3909.2805 20580.8030 14474.3615 252.1141 -203452.2782 2494.8214 0.0000 0.0000 52073.0500 -109667.8478 299.2645 -161740.8978 -109303.4194 299.0867 59.1259 82.8919 759567.7720 -4.3905 -4.6572 PRESSURE: 3439800 -214.929 105.92 236.64 105.92 -389.805 19.7135 236.639 19.7119 -136.17 GPRESSURE: 3439800 -240.778 101.801 229.06 132.055 -306.224 29.7612 271.467 -51.0649 -115.197 PRESSAVG: 3439800 41.6648 21.3892 28.7167 21.3891 -17.5392 -18.1346 28.7166 -18.1346 -0.272242 GPRESSAVG: 3439800 40.535 21.8366 28.7276 22.9274 -16.8366 -17.5014 28.8802 -16.3944 -0.229856 TIMING: 3439800 CPU: 10935.9, 0.00312347/step Wall: 10935.9, 0.00312347/step, 1.35368 hours remaining, 240.296875 MB of memory in use. ENERGY: 3439800 4038.3474 20275.8212 14457.8460 241.7416 -203263.7889 2502.8148 0.0000 0.0000 52009.7999 -109737.4180 298.9010 -161747.2179 -109368.9565 298.9600 -246.9683 -220.7329 759305.1579 7.9511 7.8229 PRESSURE: 3440000 232.812 17.5089 320.996 17.5092 53.203 152.868 320.997 152.867 251.967 GPRESSURE: 3440000 279.85 -1.95313 282.821 85.1942 101.77 134.269 240.63 78.5179 227.528 PRESSAVG: 3440000 61.6322 3.39892 4.1609 3.39887 -36.8118 3.54456 4.16087 3.54453 11.5092 GPRESSAVG: 3440000 62.4044 6.93295 4.68685 0.243753 -36.6645 3.2324 3.90093 2.7964 10.6609 TIMING: 3440000 CPU: 10936.6, 0.00311172/step Wall: 10936.6, 0.00311172/step, 1.34841 hours remaining, 240.296875 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: 3440000 4038.5693 20427.6448 14508.2273 248.6946 -203355.4834 2438.5261 0.0000 0.0000 51851.6186 -109842.2027 297.9920 -161693.8213 -109488.9419 298.5116 179.3271 203.0495 759388.5249 12.1099 12.1336 PRESSURE: 3440200 -220.83 190.182 -243.715 190.183 -408.928 63.8743 -243.716 63.8741 -541.299 GPRESSURE: 3440200 -248.762 159.689 -162.883 162.258 -350.613 21.765 -95.3381 101.143 -486.416 PRESSAVG: 3440200 25.3053 53.424 -6.83246 53.424 -32.6787 85.2729 -6.83246 85.2729 -1.18265 GPRESSAVG: 3440200 25.9298 51.4889 -6.50806 54.8337 -33.9141 85.878 -7.48542 84.9003 -0.746175 TIMING: 3440200 CPU: 10937.2, 0.00311766/step Wall: 10937.2, 0.00311766/step, 1.35081 hours remaining, 240.296875 MB of memory in use. ENERGY: 3440200 4070.8934 20332.6590 14459.5937 253.1288 -203006.0210 2187.3873 0.0000 0.0000 51789.7238 -109912.6349 297.6363 -161702.3587 -109552.6809 298.6799 -390.3522 -361.9304 760882.5175 -2.8520 -2.9102 LDB: ============= START OF LOAD BALANCING ============== 10949.6 LDB: ============== END OF LOAD BALANCING =============== 10949.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10949.6 LDB: ============= START OF LOAD BALANCING ============== 10949.9 LDB: Largest compute 7070 load 0.033897 is 17.3% of average load 0.195410 LDB: Average compute 0.004384 is 2.2% of average load 0.195410 LDB: TIME 10949.9 LOAD: AVG 0.19541 MAX 0.215711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 10949.9 LOAD: AVG 0.19541 MAX 0.215711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 10949.9 LOAD: AVG 0.19541 MAX 0.215711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 10949.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10949.9 PRESSURE: 3440400 99.7631 118.858 -7.00302 118.857 -232.94 4.43473 -7.0024 4.43428 16.3345 GPRESSURE: 3440400 162.458 -10.6193 -43.7754 127.38 -211.904 -29.0703 -103.364 -17.5338 31.3976 PRESSAVG: 3440400 -5.20084 33.5011 -45.5881 33.5012 -25.9299 -28.4219 -45.5882 -28.422 9.24123 GPRESSAVG: 3440400 -6.31224 33.71 -46.1231 33.1073 -26.0482 -27.2427 -45.356 -27.9869 10.1582 TIMING: 3440400 CPU: 10937.8, 0.00318666/step Wall: 10937.8, 0.00318666/step, 1.38053 hours remaining, 239.894531 MB of memory in use. ENERGY: 3440400 4058.0598 20351.0729 14378.2782 255.3221 -203243.2147 2289.8352 0.0000 0.0000 51817.5583 -110093.0882 297.7962 -161910.6465 -109735.1577 297.7353 -38.9475 -6.0164 760463.2765 -7.2965 -7.4007 PRESSURE: 3440600 -106.098 196.719 -259.974 196.717 -330.121 116.957 -259.974 116.957 -134.269 GPRESSURE: 3440600 -24.2345 191.407 -304.419 116.302 -281.767 216.527 -168.405 106.789 -152.491 PRESSAVG: 3440600 -47.9491 56.2106 -28.5921 56.2106 9.53288 22.1158 -28.5921 22.1157 34.3893 GPRESSAVG: 3440600 -45.8985 57.3816 -29.9462 55.2643 8.11668 20.625 -29.1455 22.2659 33.2704 TIMING: 3440600 CPU: 10938.4, 0.00311548/step Wall: 10938.4, 0.00311548/step, 1.34952 hours remaining, 240.097656 MB of memory in use. ENERGY: 3440600 3999.9104 20397.2668 14396.5209 249.4728 -203458.1535 2314.0453 0.0000 0.0000 52078.1148 -110022.8225 299.2936 -162100.9373 -109660.5448 298.3823 -190.1623 -152.8309 760322.2276 -1.3423 -1.5038 PRESSURE: 3440800 -229.86 206.1 90.2066 206.1 75.6211 19.5411 90.2059 19.5412 -321.501 GPRESSURE: 3440800 -200.872 287.616 -38.998 130.363 108.667 13.2037 12.9337 -34.7048 -321.338 PRESSAVG: 3440800 -27.04 60.3127 -76.9491 60.3126 14.0694 29.4214 -76.9491 29.4214 -1.67338 GPRESSAVG: 3440800 -28.1831 58.3413 -76.1544 61.0868 15.1316 29.5288 -76.3104 28.4045 -1.30148 TIMING: 3440800 CPU: 10939.1, 0.00312599/step Wall: 10939.1, 0.00312599/step, 1.3539 hours remaining, 240.097656 MB of memory in use. ENERGY: 3440800 3875.2550 20639.5179 14416.3249 234.4003 -203467.6381 2520.5061 0.0000 0.0000 51935.3642 -109846.2698 298.4733 -161781.6340 -109487.3295 298.2239 -158.5798 -137.8478 758588.4563 -4.8813 -4.7843 PRESSURE: 3441000 -106.197 14.296 -247.228 14.2958 -50.054 -165.168 -247.228 -165.169 -221.325 GPRESSURE: 3441000 -47.5662 53.277 -208.453 -85.5499 0.671313 -161.387 -115.886 -48.7196 -255.286 PRESSAVG: 3441000 3.21999 74.2477 -6.01067 74.2477 -14.7174 3.30347 -6.01061 3.30345 -8.41068 GPRESSAVG: 3441000 3.22522 73.7149 -5.89697 74.7703 -13.9997 4.87493 -4.06064 5.19458 -9.0663 TIMING: 3441000 CPU: 10939.7, 0.0031318/step Wall: 10939.7, 0.0031318/step, 1.35625 hours remaining, 240.097656 MB of memory in use. ENERGY: 3441000 3899.1962 20435.2962 14419.8756 251.0891 -203667.1285 2498.3210 0.0000 0.0000 52171.1976 -109992.1530 299.8286 -162163.3506 -109628.9943 298.4384 -125.8586 -100.7268 759948.7778 -6.6360 -6.6136 PRESSURE: 3441200 213.814 89.823 44.3957 89.8232 -8.83145 -52.3087 44.3949 -52.3079 -63.8547 GPRESSURE: 3441200 87.8099 9.36985 64.9161 88.5376 111.239 -178.092 40.9039 1.66931 2.6897 PRESSAVG: 3441200 36.428 8.20857 14.8336 8.20857 -57.0071 -33.3663 14.8337 -33.3663 6.53234 GPRESSAVG: 3441200 36.0735 9.09305 14.3407 8.40737 -56.8707 -35.2432 14.3648 -32.3294 6.63232 TIMING: 3441200 CPU: 10940.3, 0.00312173/step Wall: 10940.3, 0.00312173/step, 1.35171 hours remaining, 240.097656 MB of memory in use. ENERGY: 3441200 3979.8472 20505.6084 14486.5485 251.5114 -203643.1932 2440.4265 0.0000 0.0000 51944.4640 -110034.7873 298.5255 -161979.2513 -109686.1124 298.2989 47.0427 67.2463 758713.4988 -4.6823 -4.7216 PRESSURE: 3441400 -162.274 239.001 12.0154 239.001 -376.983 -181.963 12.0158 -181.962 -2.54655 GPRESSURE: 3441400 -63.2428 156.184 -13.787 195.002 -342.177 -200.605 -9.39928 -259.697 -31.8386 PRESSAVG: 3441400 -0.81932 -6.86401 -22.001 -6.86395 0.425827 -18.2707 -22.0011 -18.2707 -15.2843 GPRESSAVG: 3441400 -0.405684 -7.91693 -20.5968 -8.07947 0.0376313 -17.6681 -24.8098 -21.1829 -15.1504 TIMING: 3441400 CPU: 10940.9, 0.003112/step Wall: 10940.9, 0.003112/step, 1.34732 hours remaining, 240.097656 MB of memory in use. ENERGY: 3441400 3972.1973 20440.9664 14464.9012 261.9765 -203453.6916 2530.7999 0.0000 0.0000 51762.7899 -110020.0603 297.4815 -161782.8503 -109663.4261 298.5979 -180.6013 -145.7529 759123.0275 -5.2259 -5.1728 PRESSURE: 3441600 -109.189 -204.275 -25.7475 -204.276 -190.414 1.73612 -25.7469 1.73604 262.066 GPRESSURE: 3441600 -92.1735 -171.829 5.56437 -231.006 -76.8059 74.4326 9.52981 65.8635 228.435 PRESSAVG: 3441600 53.9811 13.3457 -31.2123 13.3458 -14.7326 17.6526 -31.2123 17.6525 -18.2122 GPRESSAVG: 3441600 55.2552 13.1788 -32.3018 13.1286 -15.3067 16.9844 -30.086 19.4293 -18.0893 TIMING: 3441600 CPU: 10941.6, 0.0031068/step Wall: 10941.6, 0.0031068/step, 1.3449 hours remaining, 240.097656 MB of memory in use. ENERGY: 3441600 3959.5934 20440.9277 14417.8405 229.2078 -203584.7951 2462.5643 0.0000 0.0000 52320.7813 -109753.8800 300.6882 -162074.6613 -109387.7823 298.7348 -12.5125 19.8186 759401.3858 7.0121 7.2864 PRESSURE: 3441800 -96.6009 -178.914 -144.473 -178.914 -129.152 34.5381 -144.474 34.5384 -11.6373 GPRESSURE: 3441800 -81.3799 -124.021 -180.146 -198.434 -145.044 -19.336 -45.0282 65.8046 102.517 PRESSAVG: 3441800 -13.2755 4.65176 -31.8928 4.65177 -26.8135 -15.8387 -31.8929 -15.8387 15.3891 GPRESSAVG: 3441800 -13.7953 4.5519 -30.2252 3.80044 -25.8972 -15.2322 -31.7983 -17.0833 14.8094 TIMING: 3441800 CPU: 10942.2, 0.003127/step Wall: 10942.2, 0.003127/step, 1.35347 hours remaining, 240.097656 MB of memory in use. ENERGY: 3441800 3933.8179 20469.1622 14517.3281 248.4469 -203857.0320 2561.3374 0.0000 0.0000 52295.7664 -109831.1731 300.5445 -162126.9394 -109468.9872 299.5060 -79.1299 -41.3024 759311.5337 -8.2333 -8.2944 PRESSURE: 3442000 -299.343 -45.9016 -68.2429 -45.9021 12.0727 58.5149 -68.2432 58.5138 -260.185 GPRESSURE: 3442000 -214.159 0.73515 -43.8289 -62.3262 42.738 12.5457 42.1078 114.701 -269.297 PRESSAVG: 3442000 67.1766 24.2833 -66.6908 24.2833 -71.8604 -36.6108 -66.6908 -36.6107 3.96188 GPRESSAVG: 3442000 66.6405 24.9646 -66.2185 24.1377 -71.9869 -36.3888 -66.2505 -35.8284 4.75354 TIMING: 3442000 CPU: 10942.8, 0.00312541/step Wall: 10942.8, 0.00312541/step, 1.35261 hours remaining, 240.097656 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: 3442000 4034.1244 20395.8000 14447.9951 237.1387 -203247.4370 2410.7885 0.0000 0.0000 51907.5255 -109814.0647 298.3133 -161721.5902 -109455.4669 299.1141 -182.4849 -146.9060 761492.2866 -0.2406 -0.1976 PRESSURE: 3442200 28.1443 -203.67 -177.76 -203.67 -273.306 -211.677 -177.76 -211.677 77.7813 GPRESSURE: 3442200 62.0593 -223.555 -100.494 -149.573 -247.688 -120.582 -135.35 -38.9162 122.009 PRESSAVG: 3442200 39.2972 -32.809 -6.17347 -32.809 -54.9001 -30.0264 -6.17345 -30.0264 0.450335 GPRESSAVG: 3442200 39.2186 -32.5827 -9.04933 -31.0878 -54.7786 -30.7441 -4.3485 -28.3204 0.0346375 TIMING: 3442200 CPU: 10943.4, 0.00312774/step Wall: 10943.4, 0.00312774/step, 1.35344 hours remaining, 240.097656 MB of memory in use. ENERGY: 3442200 3951.5531 20357.2778 14486.2795 246.7229 -203167.5832 2389.6309 0.0000 0.0000 51911.6859 -109824.4330 298.3372 -161736.1189 -109455.3325 298.4326 -55.7936 -21.2068 761348.7718 -5.0508 -5.1751 PRESSURE: 3442400 3.01123 199.805 -97.4703 199.805 -290.577 131.312 -97.4705 131.313 -224.864 GPRESSURE: 3442400 103.156 146.186 -168.796 119.493 -266.501 135.053 -57.7791 127.376 -245.427 PRESSAVG: 3442400 92.3687 28.75 -1.41685 28.75 -86.5867 -44.1199 -1.41685 -44.1199 -7.70885 GPRESSAVG: 3442400 92.2906 29.6818 0.404676 27.2656 -86.4867 -43.6218 -3.45566 -43.8613 -8.21259 TIMING: 3442400 CPU: 10944.1, 0.00314111/step Wall: 10944.1, 0.00314111/step, 1.35906 hours remaining, 240.097656 MB of memory in use. ENERGY: 3442400 4016.1423 20424.4506 14476.8753 246.4783 -203261.5041 2356.6448 0.0000 0.0000 51958.0752 -109782.8375 298.6038 -161740.9127 -109420.6465 298.8241 -170.8097 -136.2573 760613.7169 -0.6423 -0.8029 PRESSURE: 3442600 520.351 -493.054 84.382 -493.054 351.613 -114.14 84.3817 -114.14 295.188 GPRESSURE: 3442600 514.374 -445.821 21.4133 -458.877 366.092 -128.578 -29.4369 -64.0919 374.788 PRESSAVG: 3442600 57.8659 -10.7577 -52.4935 -10.7576 -2.64498 -7.36854 -52.4935 -7.36849 -1.88188 GPRESSAVG: 3442600 57.9384 -10.7391 -52.8063 -8.75803 -3.48782 -6.7587 -50.5773 -8.79278 -0.720234 TIMING: 3442600 CPU: 10944.7, 0.00312391/step Wall: 10944.7, 0.00312391/step, 1.35144 hours remaining, 240.097656 MB of memory in use. ENERGY: 3442600 3918.2808 20499.5957 14412.2815 264.4027 -203336.1422 2547.3774 0.0000 0.0000 52032.5113 -109661.6929 299.0316 -161694.2042 -109298.5320 299.0231 389.0509 418.4183 761573.6993 17.7797 17.9101 PRESSURE: 3442800 -134.535 -44.3567 84.5187 -44.3565 -101.194 23.1617 84.5183 23.1629 -233.459 GPRESSURE: 3442800 -49.9337 0.900261 93.6186 -69.1872 -130.527 25.6934 95.8171 -69.5251 -220.48 PRESSAVG: 3442800 -50.093 -13.7692 -68.6236 -13.7692 -4.3483 39.3139 -68.6236 39.3139 20.1168 GPRESSAVG: 3442800 -49.3295 -14.043 -67.6985 -13.9299 -3.617 38.2642 -70.4362 39.5371 18.7499 TIMING: 3442800 CPU: 10945.3, 0.00313142/step Wall: 10945.3, 0.00313141/step, 1.35451 hours remaining, 240.097656 MB of memory in use. ENERGY: 3442800 3948.4582 20615.4438 14500.1845 259.5674 -203582.0975 2515.9844 0.0000 0.0000 52020.9721 -109721.4870 298.9652 -161742.4591 -109365.4743 298.6387 -156.3963 -133.6470 760869.7981 -11.4415 -11.3988 PRESSURE: 3443000 -78.6201 -121.78 161.692 -121.781 214.857 -111.648 161.692 -111.649 -325.558 GPRESSURE: 3443000 -6.29513 -196.637 62.5587 -40.4272 221.722 -39.7456 370.857 -50.8175 -320.416 PRESSAVG: 3443000 75.6473 -57.396 5.66343 -57.3961 -43.7472 1.76831 5.6634 1.76829 3.6189 GPRESSAVG: 3443000 76.1455 -58.6484 5.02113 -56.0427 -43.9503 3.26926 7.63643 0.536274 3.37473 TIMING: 3443000 CPU: 10945.9, 0.00311406/step Wall: 10945.9, 0.00311406/step, 1.34683 hours remaining, 240.097656 MB of memory in use. ENERGY: 3443000 3992.6356 20378.0857 14511.5001 246.2068 -203581.2309 2429.4742 0.0000 0.0000 52229.4130 -109793.9155 300.1632 -162023.3285 -109426.8082 299.3104 -63.1070 -34.9965 760388.7689 11.8397 11.8566 PRESSURE: 3443200 -35.3791 -80.0427 -88.4024 -80.0429 -306.453 -14.31 -88.4026 -14.3098 150.496 GPRESSURE: 3443200 16.3278 -58.5059 -109.739 -192.852 -266.077 6.3325 -69.5596 -8.35209 141.117 PRESSAVG: 3443200 20.5963 -44.2175 19.8229 -44.2176 22.1703 -8.81208 19.8229 -8.81211 1.38048 GPRESSAVG: 3443200 20.3325 -43.1884 19.186 -47.3672 22.3256 -10.2182 20.6034 -7.03703 1.7405 TIMING: 3443200 CPU: 10946.6, 0.00312449/step Wall: 10946.6, 0.00312449/step, 1.35117 hours remaining, 240.097656 MB of memory in use. ENERGY: 3443200 3871.0550 20688.0031 14404.8657 260.9701 -203399.1233 2472.4142 0.0000 0.0000 51820.7767 -109881.0384 297.8147 -161701.8152 -109520.3480 298.5773 -63.7786 -36.2108 760059.4982 14.7157 14.7995 PRESSURE: 3443400 -228.902 182.668 259.485 182.667 -109.73 62.0406 259.484 62.0408 -174.393 GPRESSURE: 3443400 -226.835 207.441 264.855 193.442 -128.271 34.3508 129.507 -8.46941 -83.9498 PRESSAVG: 3443400 49.7131 -4.99155 7.8524 -4.99158 -75.4416 -62.2869 7.85242 -62.2869 -1.52646 GPRESSAVG: 3443400 49.9064 -6.07956 6.78993 -3.62627 -75.8712 -61.7093 4.15866 -62.9959 -1.44776 TIMING: 3443400 CPU: 10947.2, 0.0031044/step Wall: 10947.2, 0.0031044/step, 1.34231 hours remaining, 240.097656 MB of memory in use. ENERGY: 3443400 3989.6556 20568.3519 14478.2591 275.3647 -203374.8224 2343.5003 0.0000 0.0000 52093.3280 -109626.3628 299.3811 -161719.6908 -109272.7462 298.9711 -171.0086 -146.3520 760954.5295 -9.0850 -9.1376 PRESSURE: 3443600 -266.178 -25.0387 72.4453 -25.0388 -124.121 94.6297 72.4454 94.6305 96.0922 GPRESSURE: 3443600 -233.601 -46.7314 163.423 1.33735 -120.362 95.1638 55.411 215.065 139.726 PRESSAVG: 3443600 89.128 14.2057 43.025 14.2056 -69.8621 -30.4231 43.0251 -30.4231 -31.3844 GPRESSAVG: 3443600 89.1517 15.3764 44.8539 14.0472 -70.2685 -30.0614 44.3329 -31.4857 -30.8886 TIMING: 3443600 CPU: 10947.8, 0.00310954/step Wall: 10947.8, 0.00310954/step, 1.34436 hours remaining, 240.097656 MB of memory in use. ENERGY: 3443600 3936.6299 20673.5382 14385.4933 259.0795 -203475.7125 2553.8853 0.0000 0.0000 51989.4283 -109677.6580 298.7840 -161667.0863 -109317.7801 299.1939 -98.0691 -71.4124 760671.8126 -4.0395 -4.0018 PRESSURE: 3443800 236.819 42.4949 247.849 42.4942 196.263 130.591 247.849 130.59 -9.6756 GPRESSURE: 3443800 331.842 99.4309 303.538 104.775 188.797 103.184 176.82 108.264 -13.5554 PRESSAVG: 3443800 51.8851 -3.98328 -13.2573 -3.98323 -87.3969 -23.0904 -13.2574 -23.0903 -0.310998 GPRESSAVG: 3443800 52.9511 -5.44968 -12.9887 -4.15156 -86.7362 -23.0748 -14.2016 -23.057 -1.4135 TIMING: 3443800 CPU: 10948.4, 0.00312444/step Wall: 10948.4, 0.00312444/step, 1.35063 hours remaining, 240.097656 MB of memory in use. ENERGY: 3443800 4003.4307 20521.4261 14457.8649 251.4098 -203950.4447 2783.6062 0.0000 0.0000 52257.9968 -109674.7101 300.3274 -161932.7069 -109303.6595 299.2069 141.1354 169.0280 758911.9550 -11.9410 -11.7328 PRESSURE: 3444000 97.5923 -67.0332 -272.742 -67.0337 -12.1177 217.6 -272.742 217.599 -262.759 GPRESSURE: 3444000 214.363 -146.556 -289.635 3.64564 -51.9613 196.28 -242.14 195.799 -259.901 PRESSAVG: 3444000 54.9912 40.1383 -42.8349 40.1384 -47.3779 -65.3704 -42.8349 -65.3704 19.18 GPRESSAVG: 3444000 54.0592 41.0661 -44.8341 41.4117 -48.2309 -67.3387 -40.7744 -63.2848 20.1937 TIMING: 3444000 CPU: 10949.1, 0.00312784/step Wall: 10949.1, 0.00312784/step, 1.35192 hours remaining, 240.097656 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: 3444000 4067.0292 20324.4212 14503.0182 245.1555 -203967.0146 2669.9992 0.0000 0.0000 52241.8386 -109915.5527 300.2346 -162157.3913 -109536.6852 299.3766 -59.0948 -32.4997 758408.5291 8.9311 8.6740 PRESSURE: 3444200 17.7983 89.0704 -152.533 89.0694 -62.4331 -160.654 -152.534 -160.654 201.565 GPRESSURE: 3444200 157.065 88.8796 -175.73 29.7242 -84.8744 -119.656 -181.273 96.4878 171.474 PRESSAVG: 3444200 81.0187 18.241 39.9745 18.2409 -102.53 -10.7301 39.9745 -10.73 -7.90051 GPRESSAVG: 3444200 81.0484 18.563 39.8138 18.4123 -101.566 -7.98951 38.7963 -12.4055 -8.59404 TIMING: 3444200 CPU: 10949.7, 0.00312201/step Wall: 10949.7, 0.00312201/step, 1.34923 hours remaining, 240.097656 MB of memory in use. ENERGY: 3444200 3976.9035 20514.5149 14449.4446 262.9837 -203325.7432 2417.8347 0.0000 0.0000 51949.0705 -109754.9913 298.5520 -161704.0618 -109387.9127 299.1111 52.3100 81.2213 760414.1248 -9.8038 -9.7038 LDB: ============= START OF LOAD BALANCING ============== 10962.1 LDB: ============== END OF LOAD BALANCING =============== 10962.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10962.1 LDB: ============= START OF LOAD BALANCING ============== 10962.4 LDB: Largest compute 7075 load 0.033686 is 17.2% of average load 0.195298 LDB: Average compute 0.004381 is 2.2% of average load 0.195298 LDB: TIME 10962.4 LOAD: AVG 0.195298 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.625 MB LDB: TIME 10962.4 LOAD: AVG 0.195298 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.664 MB LDB: TIME 10962.4 LOAD: AVG 0.195298 MAX 0.215186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.664 MB LDB: ============== END OF LOAD BALANCING =============== 10962.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10962.5 PRESSURE: 3444400 169.232 159.292 243.154 159.291 -194.18 24.7902 243.155 24.7906 261.698 GPRESSURE: 3444400 212.908 56.733 313.876 136.233 -139.977 92.139 282.702 -37.4349 253.533 PRESSAVG: 3444400 18.3373 -17.3975 3.47154 -17.3975 -31.2723 3.83361 3.47153 3.83364 -25.3769 GPRESSAVG: 3444400 18.2378 -18.7668 4.56241 -18.5423 -31.4824 3.08453 4.81568 4.98823 -24.6028 TIMING: 3444400 CPU: 10950.3, 0.00318957/step Wall: 10950.3, 0.00318957/step, 1.37825 hours remaining, 239.890625 MB of memory in use. ENERGY: 3444400 4015.2451 20706.0442 14437.5247 231.1999 -203771.9362 2648.6000 0.0000 0.0000 51954.4259 -109778.8963 298.5828 -161733.3222 -109415.1994 299.1338 78.9167 108.8214 759407.6027 -12.7706 -12.6158 PRESSURE: 3444600 89.1309 -28.6466 -108.802 -28.6456 -448.959 -115.069 -108.802 -115.068 -53.0107 GPRESSURE: 3444600 65.0175 -81.9042 -101.057 28.8947 -315.691 -84.2417 -260.564 -181.3 -81.7254 PRESSAVG: 3444600 69.6632 -10.3247 -38.3649 -10.3246 -84.2908 15.6784 -38.3649 15.6784 -3.70256 GPRESSAVG: 3444600 69.4281 -8.2004 -38.773 -9.21776 -84.1468 16.098 -39.5674 12.6813 -3.73556 TIMING: 3444600 CPU: 10950.9, 0.00314657/step Wall: 10950.9, 0.00314657/step, 1.35949 hours remaining, 239.890625 MB of memory in use. ENERGY: 3444600 3978.6642 20722.6066 14414.3323 246.1969 -203136.3292 2146.6837 0.0000 0.0000 51939.4234 -109688.4222 298.4966 -161627.8456 -109329.2303 299.6733 -137.6129 -110.7996 759705.7539 -6.1100 -6.1514 PRESSURE: 3444800 -129.609 196.958 8.32032 196.957 -210.918 -82.6353 8.32115 -82.6353 -420.52 GPRESSURE: 3444800 -186.262 49.958 21.4344 180.772 -129.348 2.17834 -9.84115 -60.5932 -337.026 PRESSAVG: 3444800 9.28898 -25.0954 47.7291 -25.0953 -21.2495 -14.2014 47.7292 -14.2014 -0.464245 GPRESSAVG: 3444800 8.426 -25.0037 47.2814 -28.4974 -21.6923 -14.7543 47.0857 -12.0685 0.891893 TIMING: 3444800 CPU: 10951.6, 0.00312155/step Wall: 10951.6, 0.00312155/step, 1.34851 hours remaining, 239.890625 MB of memory in use. ENERGY: 3444800 4087.4179 20582.6557 14458.5155 253.8826 -203387.9310 2234.9777 0.0000 0.0000 52016.5809 -109753.9006 298.9400 -161770.4816 -109384.2833 299.3525 -253.6821 -217.5456 759455.9444 -4.1416 -4.1248 PRESSURE: 3445000 -96.1033 -251.249 -120.817 -251.249 277.685 129.304 -120.817 129.303 235.31 GPRESSURE: 3445000 52.7562 -212.887 -84.8776 -228.474 274.301 91.0947 -163.816 123.207 185.327 PRESSAVG: 3445000 2.34765 -50.0477 -11.3099 -50.0477 4.72051 31.9569 -11.3099 31.9569 -11.9272 GPRESSAVG: 3445000 2.42026 -52.4967 -11.8076 -46.1488 5.27243 31.2836 -12.5474 30.9922 -12.0746 TIMING: 3445000 CPU: 10952.2, 0.0031119/step Wall: 10952.2, 0.0031119/step, 1.34417 hours remaining, 239.890625 MB of memory in use. ENERGY: 3445000 4044.0612 20590.0855 14480.6487 249.7152 -203795.2336 2359.8552 0.0000 0.0000 52339.8090 -109731.0588 300.7976 -162070.8678 -109361.5512 299.4959 138.9639 170.7948 759112.9682 -1.6197 -1.4607 PRESSURE: 3445200 -88.3581 -54.9539 -101.645 -54.954 -333.204 28.0064 -101.646 28.007 -292.339 GPRESSURE: 3445200 -90.3025 -45.6968 -34.0985 -113.555 -242.548 29.683 -59.3671 12.0052 -292.649 PRESSAVG: 3445200 50.3314 -43.0946 4.23864 -43.0946 8.5964 34.2174 4.23869 34.2174 -7.63234 GPRESSAVG: 3445200 51.7848 -42.1536 4.81882 -42.6324 7.84122 35.1576 5.56909 33.2427 -8.54408 TIMING: 3445200 CPU: 10952.8, 0.00311933/step Wall: 10952.8, 0.00311933/step, 1.3472 hours remaining, 239.890625 MB of memory in use. ENERGY: 3445200 3996.8474 20576.7227 14395.4091 261.4505 -203691.6925 2310.6978 0.0000 0.0000 52284.9106 -109865.6543 300.4821 -162150.5649 -109498.7152 299.5270 -237.9672 -208.4997 758743.7399 17.0985 17.0273 PRESSURE: 3445400 -89.3949 39.8205 -190.016 39.8201 169.216 45.9537 -190.015 45.9523 -152.575 GPRESSURE: 3445400 -22.0149 12.693 -145.003 43.6904 140.857 139.878 -173.808 52.7861 -105.528 PRESSAVG: 3445400 -43.2848 -8.95819 -6.82491 -8.95817 18.6984 -3.46613 -6.82492 -3.46614 -2.67312 GPRESSAVG: 3445400 -42.7225 -8.10604 -6.27322 -9.84232 18.6615 -2.77911 -7.48356 -3.26827 -2.81855 TIMING: 3445400 CPU: 10953.4, 0.00312856/step Wall: 10953.4, 0.00312856/step, 1.35102 hours remaining, 239.890625 MB of memory in use. ENERGY: 3445400 4004.1446 20809.9780 14392.2295 261.4881 -203704.9096 2460.4813 0.0000 0.0000 52103.2208 -109673.3673 299.4379 -161776.5881 -109316.9978 299.2010 -24.2513 4.4379 758119.2067 -9.0865 -8.9599 PRESSURE: 3445600 -234.859 -66.1523 74.0594 -66.1521 -158.932 -214.726 74.0596 -214.725 -73.966 GPRESSURE: 3445600 -212.393 -19.7579 53.4033 -90.0337 -53.1561 -269.21 87.2439 -142.231 -125.055 PRESSAVG: 3445600 23.0307 -31.973 10.2792 -31.9731 -40.2798 1.85327 10.2793 1.85329 -11.9508 GPRESSAVG: 3445600 22.7941 -29.4465 8.76484 -31.4869 -40.9627 2.3436 11.6304 4.6069 -11.3401 TIMING: 3445600 CPU: 10954.1, 0.00314412/step Wall: 10954.1, 0.00314411/step, 1.35756 hours remaining, 239.890625 MB of memory in use. ENERGY: 3445600 4020.4507 20693.0000 14488.1676 240.7107 -203811.4433 2562.8724 0.0000 0.0000 52064.2317 -109742.0102 299.2139 -161806.2419 -109386.3717 299.6245 -155.9188 -130.2014 760254.9263 -9.7333 -9.8362 PRESSURE: 3445800 87.6111 -215.639 87.1091 -215.638 131.9 41.273 87.1102 41.2735 -97.0252 GPRESSURE: 3445800 121.814 -126.039 68.0097 -252.822 224.208 -27.1731 44.7934 136.072 -128.545 PRESSAVG: 3445800 -8.93944 -49.2364 -28.6531 -49.2364 -3.49695 13.1501 -28.6531 13.1501 9.64004 GPRESSAVG: 3445800 -9.1695 -50.6448 -26.3464 -48.4067 -3.83429 11.7579 -29.2469 11.9871 10.5815 TIMING: 3445800 CPU: 10954.7, 0.00313246/step Wall: 10954.7, 0.00313246/step, 1.35235 hours remaining, 239.890625 MB of memory in use. ENERGY: 3445800 3982.1211 20490.5542 14387.9313 242.3205 -203971.9455 2748.7761 0.0000 0.0000 52259.7024 -109860.5398 300.3372 -162120.2422 -109489.0408 299.1161 40.8287 72.4924 760295.3273 -0.9321 -0.8074 PRESSURE: 3446000 84.0966 -155.153 65.7827 -155.154 40.9773 -66.3738 65.7842 -66.3733 60.7909 GPRESSURE: 3446000 135.466 -153.733 -23.4921 -194.536 13.9214 -94.0506 157.126 43.6587 118.265 PRESSAVG: 3446000 20.1577 -23.0257 1.04783 -23.0257 -2.3878 27.9362 1.04782 27.9363 1.63501 GPRESSAVG: 3446000 20.0761 -24.8305 -0.016395 -23.4729 -0.950568 28.7074 1.02368 28.7538 0.560973 TIMING: 3446000 CPU: 10955.3, 0.00314082/step Wall: 10955.3, 0.00314082/step, 1.35579 hours remaining, 239.890625 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: 3446000 4048.9367 20637.5726 14428.9837 242.0985 -203692.0792 2500.6462 0.0000 0.0000 51920.5489 -109913.2925 298.3881 -161833.8414 -109547.5879 299.4591 61.9549 89.2176 759956.2154 6.4683 6.5622 PRESSURE: 3446200 31.5061 -28.4762 -87.487 -28.4758 -162.341 118.547 -87.4861 118.546 55.2238 GPRESSURE: 3446200 128.219 2.70572 15.4248 -60.8292 -179.186 75.525 -132.359 38.1115 57.3223 PRESSAVG: 3446200 72.1622 -70.0083 -3.68362 -70.0083 1.25334 30.551 -3.68351 30.5511 -24.268 GPRESSAVG: 3446200 72.0734 -69.3148 -5.33667 -71.6201 0.854917 31.6736 -1.55201 29.4252 -23.9422 TIMING: 3446200 CPU: 10956, 0.00314027/step Wall: 10956, 0.00314027/step, 1.35538 hours remaining, 239.890625 MB of memory in use. ENERGY: 3446200 4077.5808 20587.7840 14425.7693 253.9699 -204046.5130 2948.6049 0.0000 0.0000 52013.2497 -109739.5544 298.9209 -161752.8041 -109376.5004 299.3115 -25.2037 2.1185 758907.7956 16.3825 16.3287 PRESSURE: 3446400 -222.935 -0.716312 -116.684 -0.716855 -108.348 327.862 -116.684 327.862 362.696 GPRESSURE: 3446400 -172.004 63.6029 -80.3676 15.9205 -73.2976 328.795 -269.157 263.55 365.569 PRESSAVG: 3446400 25.3138 -61.0173 -4.63874 -61.0173 26.1199 21.0889 -4.63876 21.0889 9.40367 GPRESSAVG: 3446400 26.4665 -61.3629 -3.77262 -59.1599 24.9198 22.0897 -7.00429 21.0088 9.23555 TIMING: 3446400 CPU: 10956.6, 0.00314881/step Wall: 10956.6, 0.00314881/step, 1.35889 hours remaining, 239.890625 MB of memory in use. ENERGY: 3446400 4000.4450 20643.8964 14316.4182 230.8942 -203966.4682 2886.9690 0.0000 0.0000 52101.3507 -109786.4949 299.4272 -161887.8456 -109415.8478 299.0332 10.4712 40.0891 760759.5148 20.2791 20.2073 PRESSURE: 3446600 28.5792 35.3977 -28.6134 35.399 122.906 209.452 -28.6137 209.451 163.837 GPRESSURE: 3446600 73.6852 -41.0498 -57.8463 0.80683 134.521 119.684 117.888 221.157 196.103 PRESSAVG: 3446600 -25.686 -3.17592 -28.9367 -3.1759 37.9743 62.7203 -28.9367 62.7203 3.66339 GPRESSAVG: 3446600 -26.7226 -1.20203 -27.9329 -3.50722 39.4369 59.7465 -28.4924 61.8574 3.39204 TIMING: 3446600 CPU: 10957.2, 0.00315236/step Wall: 10957.2, 0.00315236/step, 1.36024 hours remaining, 239.890625 MB of memory in use. ENERGY: 3446600 3973.1255 20588.5957 14485.0255 242.1024 -203700.4102 2644.3775 0.0000 0.0000 51998.9731 -109768.2107 298.8388 -161767.1838 -109394.6031 299.3350 105.1074 134.7696 758552.0132 5.3172 5.3688 PRESSURE: 3446800 -400.223 -148.369 -87.9666 -148.37 -253.263 -238.987 -87.9663 -238.988 -255.487 GPRESSURE: 3446800 -442.405 -151.251 -82.7749 -161.122 -174.193 -153.729 -106.538 -309.327 -202.198 PRESSAVG: 3446800 -25.6818 -30.9833 4.41443 -30.9833 31.1596 -20.939 4.41446 -20.9392 -10.3938 GPRESSAVG: 3446800 -26.3419 -33.3968 3.50186 -31.1771 31.2176 -20.4229 5.04646 -20.2622 -9.99306 TIMING: 3446800 CPU: 10957.8, 0.00314327/step Wall: 10957.8, 0.00314327/step, 1.35615 hours remaining, 239.890625 MB of memory in use. ENERGY: 3446800 4007.2169 20557.8451 14456.3520 249.0463 -203136.2720 2228.6581 0.0000 0.0000 51873.2453 -109763.9083 298.1163 -161637.1535 -109409.7984 299.1294 -302.9912 -272.9320 761580.2783 -1.6387 -1.7058 PRESSURE: 3447000 158.099 -149.605 -158.928 -149.605 -52.0363 -30.1188 -158.927 -30.1189 -59.5845 GPRESSURE: 3447000 221.717 -16.4479 -219.071 -181.467 -87.4841 -46.7113 -126.031 -6.03139 -8.48441 PRESSAVG: 3447000 34.0157 -12.3813 -8.73089 -12.3812 -20.7641 -47.1522 -8.73095 -47.1522 -7.036 GPRESSAVG: 3447000 34.6786 -10.998 -8.49333 -13.8021 -21.2092 -47.7151 -9.68103 -46.1691 -7.17659 TIMING: 3447000 CPU: 10958.5, 0.00314277/step Wall: 10958.5, 0.00314277/step, 1.35576 hours remaining, 239.890625 MB of memory in use. ENERGY: 3447000 3993.5696 20606.1059 14385.1597 233.9532 -203596.4554 2538.5487 0.0000 0.0000 52119.3820 -109719.7362 299.5308 -161839.1183 -109353.7260 299.7001 15.4926 41.9161 760530.6245 2.0719 2.0976 PRESSURE: 3447200 205.762 217.636 -68.1182 217.636 49.5529 -26.1419 -68.119 -26.142 -312.723 GPRESSURE: 3447200 324.639 60.7009 7.62644 256.036 77.6982 -95.8392 -125.724 -142.942 -384.839 PRESSAVG: 3447200 29.7342 9.5126 -49.3305 9.51254 -69.2096 20.4549 -49.3305 20.455 10.3703 GPRESSAVG: 3447200 30.0771 8.3415 -48.7197 12.1684 -69.2922 19.9845 -49.1125 20.247 10.1181 TIMING: 3447200 CPU: 10959.1, 0.00312756/step Wall: 10959.1, 0.00312756/step, 1.34902 hours remaining, 239.890625 MB of memory in use. ENERGY: 3447200 3931.9736 20591.2273 14403.9767 227.3115 -203280.8579 2471.1962 0.0000 0.0000 51969.1468 -109686.0258 298.6674 -161655.1726 -109319.7939 299.1466 -19.1360 5.8325 759562.7681 -9.7017 -9.6990 PRESSURE: 3447400 122.233 -144.853 -37.4941 -144.852 7.82697 91.7174 -37.4935 91.7175 -121.499 GPRESSURE: 3447400 191.452 -126.672 -27.8484 -181.267 96.4207 8.04388 -10.692 72.0705 -170.884 PRESSAVG: 3447400 57.6835 -0.286292 -10.9607 -0.286289 -69.726 -53.7687 -10.9607 -53.7687 3.49085 GPRESSAVG: 3447400 58.079 0.741846 -11.4763 -1.11733 -69.846 -51.8508 -9.94969 -53.6043 4.2088 TIMING: 3447400 CPU: 10959.7, 0.00315065/step Wall: 10959.7, 0.00315065/step, 1.35881 hours remaining, 239.890625 MB of memory in use. ENERGY: 3447400 3996.6965 20512.5065 14505.3829 243.8822 -203530.6832 2565.3420 0.0000 0.0000 52228.4739 -109478.3991 300.1578 -161706.8730 -109113.0003 299.4048 2.8535 38.9964 757569.8425 -2.8505 -2.5194 PRESSURE: 3447600 273.833 202.049 100.775 202.049 213.478 -6.05448 100.775 -6.05392 117.808 GPRESSURE: 3447600 280.817 251.054 102.753 208.597 210.248 11.9152 124.425 -136.313 202.455 PRESSAVG: 3447600 60.8038 6.75735 42.827 6.75728 -29.9083 24.6475 42.827 24.6476 0.745133 GPRESSAVG: 3447600 59.5171 6.66323 42.883 6.23142 -28.619 23.6151 41.0824 23.8495 0.5493 TIMING: 3447600 CPU: 10960.4, 0.00312558/step Wall: 10960.4, 0.00312558/step, 1.34782 hours remaining, 239.890625 MB of memory in use. ENERGY: 3447600 3994.4344 20535.1959 14407.5920 254.1953 -203417.0160 2835.6980 0.0000 0.0000 51963.6401 -109426.2604 298.6358 -161389.9005 -109074.6753 300.1400 201.7065 231.1733 761008.1531 10.5469 10.4825 PRESSURE: 3447800 2.55753 -163.132 -139.191 -163.133 89.0264 38.6229 -139.193 38.6234 450.854 GPRESSURE: 3447800 1.87907 -209.754 -188.368 -86.2813 112.757 54.8318 -22.4828 22.3453 541.879 PRESSAVG: 3447800 -36.3191 17.2289 17.3077 17.2289 -9.54699 -34.2432 17.3077 -34.2431 10.2476 GPRESSAVG: 3447800 -33.9021 16.2007 17.034 17.4251 -11.6738 -31.8442 17.8562 -34.5632 10.1429 TIMING: 3447800 CPU: 10961, 0.00312837/step Wall: 10961, 0.00312837/step, 1.34885 hours remaining, 239.890625 MB of memory in use. ENERGY: 3447800 3922.7111 20496.5685 14430.5245 244.2614 -203722.5554 2666.5340 0.0000 0.0000 52201.3113 -109760.6447 300.0017 -161961.9560 -109396.9567 299.8463 180.8127 218.8384 760476.1228 -11.8728 -11.8110 PRESSURE: 3448000 11.9625 143.83 132.133 143.83 9.48537 61.4555 132.133 61.4546 60.0794 GPRESSURE: 3448000 50.4877 149.935 142.61 65.3414 106.646 28.3155 174.693 83.4305 14.3785 PRESSAVG: 3448000 60.8585 10.2755 -54.716 10.2755 -62.7474 -6.32694 -54.716 -6.32697 0.278909 GPRESSAVG: 3448000 60.3412 13.2481 -54.839 9.45323 -62.3441 -6.97591 -54.9795 -6.43289 0.640064 TIMING: 3448000 CPU: 10961.6, 0.00312967/step Wall: 10961.6, 0.00312966/step, 1.34923 hours remaining, 239.890625 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: 3448000 3990.6893 20495.1227 14427.2092 237.2219 -203594.1439 2514.2267 0.0000 0.0000 52274.7316 -109654.9424 300.4236 -161929.6740 -109286.6972 299.6181 27.1757 57.1708 759200.2798 -0.5367 -0.4543 PRESSURE: 3448200 -271.415 123.538 6.66404 123.539 -8.24552 -16.1277 6.66482 -16.1275 -3.04141 GPRESSURE: 3448200 -315.783 100.18 21.499 145.334 79.8258 -3.26636 -74.9303 -3.20744 51.2065 PRESSAVG: 3448200 28.6059 -43.081 51.6187 -43.081 -49.765 13.958 51.6187 13.9581 26.7903 GPRESSAVG: 3448200 27.9849 -44.3626 51.7947 -40.9302 -49.1301 13.5928 51.6283 13.5896 26.8098 TIMING: 3448200 CPU: 10962.2, 0.00314326/step Wall: 10962.2, 0.00314326/step, 1.35492 hours remaining, 239.890625 MB of memory in use. ENERGY: 3448200 3921.6397 20342.5393 14429.9525 252.5516 -203199.9139 2313.5611 0.0000 0.0000 52099.5467 -109840.1231 299.4168 -161939.6698 -109470.7406 298.9532 -94.2340 -61.5837 760783.8573 1.8771 1.8882 LDB: ============= START OF LOAD BALANCING ============== 10974.7 LDB: ============== END OF LOAD BALANCING =============== 10974.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10974.7 LDB: ============= START OF LOAD BALANCING ============== 10975 LDB: Largest compute 7024 load 0.034127 is 17.5% of average load 0.195391 LDB: Average compute 0.004367 is 2.2% of average load 0.195391 LDB: TIME 10975 LOAD: AVG 0.195391 MAX 0.220034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.977 MB LDB: TIME 10975 LOAD: AVG 0.195391 MAX 0.220034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.977 MB LDB: TIME 10975 LOAD: AVG 0.195391 MAX 0.213127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.977 MB LDB: ============== END OF LOAD BALANCING =============== 10975 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10975 PRESSURE: 3448400 221.399 -56.0862 98.4713 -56.0862 -41.1442 -271.626 98.4704 -271.627 -129.747 GPRESSURE: 3448400 197.02 -72.2142 138.734 -58.8158 -63.6765 -248.232 45.7468 -118.527 -7.5319 PRESSAVG: 3448400 -37.644 -9.41685 -77.4538 -9.41682 31.2695 -40.1747 -77.4537 -40.1747 -2.00795 GPRESSAVG: 3448400 -36.8402 -7.39535 -77.1758 -8.65772 31.3358 -40.8496 -76.9126 -40.1207 -2.68069 TIMING: 3448400 CPU: 10962.9, 0.00321994/step Wall: 10962.9, 0.00321993/step, 1.38779 hours remaining, 240.093750 MB of memory in use. ENERGY: 3448400 3964.5663 20458.5066 14407.1430 235.5993 -203224.9222 2359.8015 0.0000 0.0000 51821.2642 -109978.0414 297.8175 -161799.3056 -109607.3651 298.2694 16.8360 41.9371 760727.3184 -2.7942 -2.7284 PRESSURE: 3448600 -218.34 -72.8889 46.8585 -72.8883 -26.8569 -105.299 46.8592 -105.299 129.761 GPRESSURE: 3448600 -147.778 10.613 8.79798 -161.854 -26.4799 -129.047 32.4563 -136.705 144.76 PRESSAVG: 3448600 62.2112 -17.5089 20.4289 -17.5088 -23.4055 -32.9674 20.429 -32.9674 -4.89641 GPRESSAVG: 3448600 61.856 -19.8751 20.5423 -18.9119 -23.4799 -33.7107 19.116 -34.4612 -4.74836 TIMING: 3448600 CPU: 10963.5, 0.00314466/step Wall: 10963.5, 0.00314466/step, 1.35517 hours remaining, 240.093750 MB of memory in use. ENERGY: 3448600 3950.3470 20352.2033 14404.7054 261.7649 -203463.7520 2496.7241 0.0000 0.0000 52069.4545 -109928.5528 299.2439 -161998.0072 -109547.8143 298.8556 -38.4787 -9.8326 760408.7061 11.3031 11.2092 PRESSURE: 3448800 51.2054 -44.0007 20.0236 -44.0006 -27.2007 -239.827 20.0234 -239.826 159.246 GPRESSURE: 3448800 219.31 -23.644 18.569 -39.0931 -46.4072 -263.53 73.1225 -223.874 92.2871 PRESSAVG: 3448800 42.9456 -68.7521 26.4717 -68.7522 -48.532 39.0467 26.4717 39.0467 11.9134 GPRESSAVG: 3448800 44.1224 -68.1428 25.7785 -68.8123 -48.7504 40.3401 27.9907 39.9216 11.2725 TIMING: 3448800 CPU: 10964.1, 0.0031441/step Wall: 10964.1, 0.0031441/step, 1.35476 hours remaining, 240.093750 MB of memory in use. ENERGY: 3448800 3980.0684 20604.0919 14434.8770 247.3290 -203768.3245 2479.9762 0.0000 0.0000 52158.9390 -109863.0430 299.7581 -162021.9820 -109490.2332 299.0770 61.0837 88.3968 760399.2766 2.1090 2.2148 PRESSURE: 3449000 302.811 -119.289 -217.913 -119.289 -208.23 17.2239 -217.913 17.2237 49.8443 GPRESSURE: 3449000 294.258 -176.463 -239.21 -155.882 -178.149 44.7144 -289.024 79.686 105.146 PRESSAVG: 3449000 50.5281 -23.8004 29.8594 -23.8004 -43.8992 27.9114 29.8593 27.9113 5.36032 GPRESSAVG: 3449000 49.1319 -26.3037 30.7766 -21.8199 -43.6946 27.092 27.5368 30.5332 6.30125 TIMING: 3449000 CPU: 10964.8, 0.00315189/step Wall: 10964.8, 0.00315189/step, 1.35794 hours remaining, 240.093750 MB of memory in use. ENERGY: 3449000 4037.9886 20623.2943 14370.8511 241.7052 -203540.0403 2426.1313 0.0000 0.0000 52094.7578 -109745.3119 299.3893 -161840.0697 -109392.0764 299.5171 48.1419 73.7518 760090.4482 3.9964 3.9128 PRESSURE: 3449200 161.185 -106.348 -155.147 -106.348 -35.0133 -5.45111 -155.147 -5.45096 209.586 GPRESSURE: 3449200 193.963 -97.5205 -115.969 -78.8568 8.75325 -80.5025 -209.091 -106.751 238.298 PRESSAVG: 3449200 49.7809 -42.8226 -44.2808 -42.8226 -72.1942 37.7521 -44.2807 37.7522 -13.4178 GPRESSAVG: 3449200 50.313 -39.2763 -43.9828 -46.3655 -71.7098 39.6174 -44.0081 35.2569 -13.798 TIMING: 3449200 CPU: 10965.4, 0.0031444/step Wall: 10965.4, 0.0031444/step, 1.35454 hours remaining, 240.093750 MB of memory in use. ENERGY: 3449200 3930.6289 20676.4417 14453.4060 228.2602 -203740.0401 2732.9359 0.0000 0.0000 51916.4122 -109801.9551 298.3643 -161718.3674 -109441.9719 299.3475 111.9192 147.0046 760610.1553 -11.9437 -11.7316 PRESSURE: 3449400 12.0616 -49.0063 -61.8991 -49.0066 -141.317 -18.7682 -61.8992 -18.7691 -16.2954 GPRESSURE: 3449400 69.2585 -77.7771 6.98098 -7.10181 -92.6736 58.7329 -48.6184 -45.7959 -21.966 PRESSAVG: 3449400 60.9452 -33.2225 21.8758 -33.2226 7.4874 29.0592 21.8757 29.0591 12.2308 GPRESSAVG: 3449400 61.0061 -34.5318 20.0578 -32.333 7.4551 28.4704 24.2464 29.5547 12.2929 TIMING: 3449400 CPU: 10966, 0.00313006/step Wall: 10966, 0.00313006/step, 1.34819 hours remaining, 240.093750 MB of memory in use. ENERGY: 3449400 4059.9199 20570.4243 14451.7774 240.4854 -203399.9407 2229.3093 0.0000 0.0000 52087.1313 -109760.8932 299.3455 -161848.0245 -109398.3933 299.8141 -48.5171 -15.1270 759697.7405 26.8878 26.9180 PRESSURE: 3449600 -40.473 162.274 -68.2517 162.275 -14.0744 191.38 -68.252 191.379 97.8271 GPRESSURE: 3449600 63.1941 196.064 -76.5361 231.266 55.9902 150.082 -64.9508 243.928 35.0402 PRESSAVG: 3449600 17.298 -70.0413 24.1691 -70.0413 -6.36454 15.5184 24.169 15.5184 -24.3408 GPRESSAVG: 3449600 16.5209 -71.9739 24.8284 -67.2079 -6.54772 15.2425 22.0866 15.7656 -23.8195 TIMING: 3449600 CPU: 10966.6, 0.00313376/step Wall: 10966.6, 0.00313376/step, 1.34961 hours remaining, 240.093750 MB of memory in use. ENERGY: 3449600 3996.6937 20561.0411 14410.5603 233.4063 -203904.4694 2639.1028 0.0000 0.0000 52221.6208 -109842.0445 300.1184 -162063.6652 -109479.9324 299.1978 14.4266 51.4082 760892.8667 -4.4691 -4.6155 PRESSURE: 3449800 -185.82 -154.568 -169.878 -154.567 -134.972 -152.035 -169.879 -152.034 -74.9461 GPRESSURE: 3449800 -86.3446 -291.333 -112.598 -168.794 -104.938 -21.0508 -132.321 -203.789 -95.9505 PRESSAVG: 3449800 -25.9307 -25.9863 -45.5686 -25.9863 -21.2019 59.1699 -45.5686 59.17 12.22 GPRESSAVG: 3449800 -25.5054 -24.2242 -46.2753 -27.7406 -20.9606 60.0483 -44.4333 58.1877 11.1383 TIMING: 3449800 CPU: 10967.3, 0.00316371/step Wall: 10967.3, 0.00316371/step, 1.36233 hours remaining, 240.093750 MB of memory in use. ENERGY: 3449800 4040.8213 20564.5254 14460.9378 228.8353 -203497.3774 2424.2063 0.0000 0.0000 51944.4294 -109833.6219 298.5253 -161778.0512 -109475.9114 299.0017 -131.9128 -95.7444 759909.2453 -11.6376 -11.7759 PRESSURE: 3450000 -247.307 53.2944 17.0526 53.2947 131.143 46.3184 17.0511 46.3166 -86.4233 GPRESSURE: 3450000 -49.0845 110.366 37.2371 26.9823 45.656 29.279 -103.743 142.125 -92.2058 PRESSAVG: 3450000 71.2216 -9.56046 -40.3465 -9.5604 -71.2808 70.752 -40.3465 70.7521 12.7173 GPRESSAVG: 3450000 72.1122 -7.66233 -38.9815 -9.53986 -71.8002 70.5499 -41.6826 72.5461 12.4388 TIMING: 3450000 CPU: 10967.9, 0.00316272/step Wall: 10967.9, 0.00316272/step, 1.36172 hours remaining, 240.093750 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: 3450000 4017.4117 20643.5045 14371.9502 251.1982 -203499.9243 2533.9263 0.0000 0.0000 52071.2744 -109610.6591 299.2543 -161681.9335 -109254.0092 299.4892 -67.5291 -31.8781 761121.1328 4.2194 4.2503 PRESSURE: 3450200 202.415 -114.135 200.579 -114.134 364.177 211.987 200.579 211.987 114.449 GPRESSURE: 3450200 299.072 -78.9558 42.9449 -168.522 337.974 98.8971 283.202 150.133 149.554 PRESSAVG: 3450200 55.0046 -11.4927 -11.6624 -11.4927 -43.1557 -2.08348 -11.6625 -2.08355 5.66522 GPRESSAVG: 3450200 55.6018 -14.8566 -13.5105 -11.1691 -43.6244 -3.44284 -9.08371 -2.68201 5.82514 TIMING: 3450200 CPU: 10968.5, 0.00316962/step Wall: 10968.5, 0.00316962/step, 1.36452 hours remaining, 240.093750 MB of memory in use. ENERGY: 3450200 4043.4099 20433.0613 14420.9664 260.2135 -203959.3402 2877.4919 0.0000 0.0000 52349.6405 -109574.5568 300.8541 -161924.1973 -109214.7492 299.7505 227.0138 262.1999 759216.2450 5.8380 5.9342 PRESSURE: 3450400 -123.243 154.691 -61.5443 154.689 -260.207 -46.4223 -61.5451 -46.4221 228.965 GPRESSURE: 3450400 -185.738 111.476 -121.375 120.786 -171.769 -20.6708 -126.511 -135.094 272.679 PRESSAVG: 3450400 40.7778 24.2215 -36.6702 24.2215 -36.6749 4.10909 -36.6702 4.10905 -17.6585 GPRESSAVG: 3450400 40.2961 25.3168 -37.0629 23.8845 -36.6247 3.99203 -37.0431 5.00395 -17.5277 TIMING: 3450400 CPU: 10969.2, 0.00314521/step Wall: 10969.2, 0.00314521/step, 1.35384 hours remaining, 240.093750 MB of memory in use. ENERGY: 3450400 3943.9753 20484.1627 14404.1872 238.7226 -203599.7144 2489.3221 0.0000 0.0000 52169.1752 -109870.1692 299.8170 -162039.3444 -109507.4701 299.1011 -51.4949 -28.2760 760486.4088 -4.5185 -4.6188 PRESSURE: 3450600 -251.565 -148.735 -187.139 -148.735 -2.13471 111.499 -187.139 111.498 -203.555 GPRESSURE: 3450600 -237.651 -203.637 -250.398 -233.928 -8.52407 57.865 -23.9445 -41.3481 -119.489 PRESSAVG: 3450600 38.9339 -72.6917 17.4012 -72.6917 -39.219 9.98178 17.4011 9.98177 -20.0257 GPRESSAVG: 3450600 38.3295 -73.6785 18.0452 -71.75 -39.4473 10.878 17.2344 10.78 -18.9704 TIMING: 3450600 CPU: 10969.8, 0.00314098/step Wall: 10969.8, 0.00314098/step, 1.35184 hours remaining, 240.093750 MB of memory in use. ENERGY: 3450600 3984.9928 20334.8381 14450.4795 256.7677 -203956.2010 2586.2154 0.0000 0.0000 52188.1756 -110154.7320 299.9262 -162342.9076 -109781.7793 298.9825 -152.4181 -121.8881 758859.7604 -6.7703 -6.6961 PRESSURE: 3450800 186.567 -27.8925 53.8318 -27.8928 62.7071 41.2856 53.8314 41.2863 292.543 GPRESSURE: 3450800 239.311 -40.6527 60.062 9.32243 152.16 63.612 34.905 -3.92876 234.967 PRESSAVG: 3450800 47.0666 -29.0793 15.0171 -29.0794 -35.0676 30.198 15.0172 30.1979 6.79098 GPRESSAVG: 3450800 47.0026 -28.4642 16.3202 -28.6493 -34.7953 30.6702 14.9911 27.6489 5.85947 TIMING: 3450800 CPU: 10970.4, 0.00315547/step Wall: 10970.4, 0.00315547/step, 1.3579 hours remaining, 240.093750 MB of memory in use. ENERGY: 3450800 3991.2694 20612.5523 14412.6069 233.7074 -203191.5329 2123.8703 0.0000 0.0000 51830.5853 -109986.9414 297.8711 -161817.5266 -109633.1562 298.5713 180.6057 208.8124 760215.9380 6.2633 6.0222 PRESSURE: 3451000 -117.924 24.3937 -75.6801 24.3931 -185.667 -147.416 -75.6808 -147.416 56.732 GPRESSURE: 3451000 -37.141 -46.8944 -84.5341 137.526 -202.424 -10.2055 -46.1407 -26.5613 108.044 PRESSAVG: 3451000 40.3898 -13.1094 34.9402 -13.1094 -2.6639 32.1497 34.9402 32.1497 8.31204 GPRESSAVG: 3451000 40.587 -11.5795 34.4768 -12.4417 -2.33587 33.7498 33.2097 32.753 8.47453 TIMING: 3451000 CPU: 10971.1, 0.00316238/step Wall: 10971.1, 0.00316238/step, 1.3607 hours remaining, 240.093750 MB of memory in use. ENERGY: 3451000 3950.2545 20622.6870 14398.0163 226.3513 -203720.4011 2652.1480 0.0000 0.0000 52070.8683 -109800.0756 299.2520 -161870.9439 -109441.4506 298.9534 -82.2865 -43.8405 759041.7533 15.3460 15.5752 PRESSURE: 3451200 167.818 -64.932 69.2456 -64.9327 -319.265 -69.9423 69.2458 -69.9425 100.154 GPRESSURE: 3451200 123.495 -131.414 55.6583 -87.9275 -249.27 -60.6301 77.8281 -178.359 162.381 PRESSAVG: 3451200 32.9769 -14.9815 -21.2134 -14.9816 -40.7788 7.5606 -21.2133 7.56058 4.42481 GPRESSAVG: 3451200 32.5276 -16.6087 -21.7894 -17.0025 -40.2781 5.67882 -18.3578 9.48373 4.16323 TIMING: 3451200 CPU: 10971.7, 0.00315084/step Wall: 10971.7, 0.00315084/step, 1.35556 hours remaining, 240.093750 MB of memory in use. ENERGY: 3451200 3969.8839 20540.3855 14369.1558 240.7601 -203621.9232 2727.9196 0.0000 0.0000 52007.3806 -109766.4378 298.8871 -161773.8184 -109416.5264 299.3438 -17.0975 12.2021 760600.6318 -1.1257 -1.1958 PRESSURE: 3451400 312.146 -33.7544 57.6934 -33.7544 87.506 92.9274 57.6943 92.9276 111.726 GPRESSURE: 3451400 331.261 -28.252 14.0796 -45.8761 150.932 173.745 -78.3663 20.9443 108.909 PRESSAVG: 3451400 31.976 -71.8178 7.66047 -71.8178 -25.0935 22.2023 7.66047 22.2023 -0.743419 GPRESSAVG: 3451400 30.3149 -70.1797 6.41224 -73.485 -24.4631 22.6122 8.00186 19.5582 0.0357101 TIMING: 3451400 CPU: 10972.3, 0.00316269/step Wall: 10972.3, 0.00316269/step, 1.36048 hours remaining, 240.093750 MB of memory in use. ENERGY: 3451400 3920.4541 20476.0017 14431.1044 247.9066 -203520.1738 2581.5374 0.0000 0.0000 51956.1761 -109906.9936 298.5929 -161863.1697 -109552.6201 299.3474 170.4591 197.0338 759965.8984 2.0464 1.9625 PRESSURE: 3451600 150.615 154.885 -187.364 154.886 -99.3978 -61.6896 -187.364 -61.6891 17.0706 GPRESSURE: 3451600 201.123 138.427 -117.191 177.732 -97.3592 -101.616 -114.272 56.7013 49.7844 PRESSAVG: 3451600 -7.43724 -55.8726 34.118 -55.8725 -0.0329556 12.6091 34.118 12.6091 5.22352 GPRESSAVG: 3451600 -5.62082 -57.4362 36.2554 -54.4842 -0.488355 12.029 32.0499 14.7686 4.09643 TIMING: 3451600 CPU: 10973, 0.00316146/step Wall: 10973, 0.00316146/step, 1.35978 hours remaining, 240.093750 MB of memory in use. ENERGY: 3451600 3888.9740 20516.8121 14416.8842 232.2367 -203732.3541 2616.6324 0.0000 0.0000 52237.1076 -109823.7071 300.2074 -162060.8147 -109461.8056 299.1697 22.7626 51.1826 759367.1915 -0.7489 -0.6709 PRESSURE: 3451800 274.754 -220.873 -49.1967 -220.873 -83.5351 -85.7903 -49.1964 -85.7902 -58.7034 GPRESSURE: 3451800 293.664 -194.064 -74.3799 -197.745 -66.0538 -80.6933 -10.2027 -55.5676 -12.5122 PRESSAVG: 3451800 -7.20167 -46.0143 50.2371 -46.0143 47.5744 30.7256 50.237 30.7257 14.2349 GPRESSAVG: 3451800 -7.97315 -46.8705 49.6771 -44.4981 46.3116 32.2584 50.8401 28.3168 15.9995 TIMING: 3451800 CPU: 10973.6, 0.00316409/step Wall: 10973.6, 0.00316409/step, 1.36074 hours remaining, 240.093750 MB of memory in use. ENERGY: 3451800 3912.4663 20506.0214 14370.2166 231.1570 -203657.8643 2775.5644 0.0000 0.0000 51932.3572 -109930.0814 298.4560 -161862.4386 -109562.0388 299.4291 44.1719 71.6994 760388.8931 18.2025 18.1126 PRESSURE: 3452000 398.024 103.272 20.9209 103.272 -369.78 141.768 20.9204 141.769 267.813 GPRESSURE: 3452000 449.803 34.8061 7.20431 29.8895 -280.626 194.221 12.5564 93.0101 201.957 PRESSAVG: 3452000 45.2604 -75.6206 60.5274 -75.6206 -64.5339 26.1599 60.5274 26.16 -2.05345 GPRESSAVG: 3452000 45.2597 -71.8261 58.8001 -77.0321 -63.7782 24.6895 63.0687 26.9579 -3.19903 TIMING: 3452000 CPU: 10974.2, 0.00319717/step Wall: 10974.2, 0.00319717/step, 1.37478 hours remaining, 240.093750 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: 3452000 4003.9609 20515.7348 14372.3072 247.9891 -203641.2620 2640.0039 0.0000 0.0000 52110.4975 -109750.7685 299.4797 -161861.2660 -109385.8709 299.1136 98.6855 123.7112 759150.1587 -7.1090 -7.2392 PRESSURE: 3452200 -50.2142 89.1542 34.2011 89.1531 -155.102 -30.4858 34.2023 -30.4855 126.02 GPRESSURE: 3452200 -83.3403 14.4208 95.722 22.7093 -85.0651 -118.281 35.3705 38.4734 168.997 PRESSAVG: 3452200 49.5424 -19.2347 -44.968 -19.2347 -36.8094 33.6382 -44.968 33.6383 0.855254 GPRESSAVG: 3452200 49.6341 -24.2617 -43.5955 -17.8396 -36.3399 33.8037 -44.6972 33.4713 0.376788 TIMING: 3452200 CPU: 10974.9, 0.00317388/step Wall: 10974.9, 0.00317388/step, 1.36459 hours remaining, 240.093750 MB of memory in use. ENERGY: 3452200 3990.1274 20559.9475 14437.8794 252.9404 -203726.1768 2581.8408 0.0000 0.0000 52258.3856 -109645.0556 300.3297 -161903.4412 -109284.0717 299.5738 -26.4322 0.1974 761525.1007 4.5294 4.5570 LDB: ============= START OF LOAD BALANCING ============== 10987.3 LDB: ============== END OF LOAD BALANCING =============== 10987.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10987.3 LDB: ============= START OF LOAD BALANCING ============== 10987.6 LDB: Largest compute 7075 load 0.034090 is 17.5% of average load 0.195278 LDB: Average compute 0.004388 is 2.2% of average load 0.195278 LDB: TIME 10987.6 LOAD: AVG 0.195278 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.918 MB LDB: TIME 10987.6 LOAD: AVG 0.195278 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: TIME 10987.6 LOAD: AVG 0.195278 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: ============== END OF LOAD BALANCING =============== 10987.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10987.6 PRESSURE: 3452400 522.09 -131.761 21.9177 -131.76 279.314 -112.5 21.9178 -112.499 273.779 GPRESSURE: 3452400 465.762 -153.298 93.3075 -140.439 357.878 -18.8295 -85.3804 -126.749 299.841 PRESSAVG: 3452400 35.2197 24.0117 2.55866 24.0117 -41.1574 -26.1445 2.55863 -26.1445 23.656 GPRESSAVG: 3452400 35.3514 24.8626 3.08442 21.9989 -41.1537 -25.4695 -0.0323359 -26.6925 23.3583 TIMING: 3452400 CPU: 10975.5, 0.00323626/step Wall: 10975.5, 0.00323626/step, 1.39123 hours remaining, 240.859375 MB of memory in use. ENERGY: 3452400 3873.3880 20572.5225 14504.7733 259.6590 -203687.6193 2624.4719 0.0000 0.0000 52299.9517 -109552.8528 300.5685 -161852.8046 -109184.9071 299.5305 358.3942 374.4935 759126.8988 5.9061 5.8520 PRESSURE: 3452600 -375.039 120.306 63.5788 120.306 -185.12 -184.495 63.5778 -184.496 -140.889 GPRESSURE: 3452600 -376.453 87.4672 31.9511 -21.8277 -105.297 -190.004 63.607 -155.046 -105.42 PRESSAVG: 3452600 11.5667 -22.5877 -63.6803 -22.5878 -6.14549 -30.7097 -63.6803 -30.7097 -19.5892 GPRESSAVG: 3452600 13.4679 -21.966 -63.9935 -24.1139 -7.7072 -31.7173 -62.7089 -30.2003 -19.5064 TIMING: 3452600 CPU: 10976.1, 0.00316948/step Wall: 10976.1, 0.00316948/step, 1.36235 hours remaining, 241.062500 MB of memory in use. ENERGY: 3452600 3956.0805 20429.8485 14476.8474 240.4789 -203514.0678 2465.6144 0.0000 0.0000 52230.9800 -109714.2180 300.1722 -161945.1981 -109342.5599 299.6774 -233.6827 -195.7236 760020.3629 -4.7227 -4.5819 PRESSURE: 3452800 -450.844 -59.0565 -222.307 -59.0566 -8.46031 -83.9322 -222.307 -83.9329 -92.3339 GPRESSURE: 3452800 -345.367 -40.7851 -259.092 154.178 -27.7988 66.3305 -165.554 -118.407 -83.2447 PRESSAVG: 3452800 -17.8523 -15.1515 -80.6631 -15.1516 18.1754 8.5203 -80.6631 8.52031 -3.13812 GPRESSAVG: 3452800 -18.5409 -15.0618 -82.0337 -12.5239 19.7095 9.32456 -78.652 8.89962 -3.61708 TIMING: 3452800 CPU: 10976.8, 0.00315526/step Wall: 10976.8, 0.00315526/step, 1.35606 hours remaining, 241.062500 MB of memory in use. ENERGY: 3452800 4054.1603 20516.8629 14397.7452 246.1002 -203289.8149 2288.2366 0.0000 0.0000 52184.5164 -109602.1934 299.9051 -161786.7097 -109241.1741 299.2707 -183.8794 -152.1369 761578.2388 -0.9383 -0.8162 PRESSURE: 3453000 -214.302 40.4539 129.036 40.4537 130.881 55.671 129.037 55.6698 192.594 GPRESSURE: 3453000 -160.093 -0.831428 151.425 10.5438 140.04 1.88635 109.558 99.5 202.932 PRESSAVG: 3453000 22.4116 17.7885 -66.0377 17.7885 -58.8207 -11.0401 -66.0376 -11.0401 7.43608 GPRESSAVG: 3453000 23.7899 16.8736 -66.0984 15.1239 -60.5396 -12.8314 -65.7399 -10.0369 7.42266 TIMING: 3453000 CPU: 10977.4, 0.00316416/step Wall: 10977.4, 0.00316416/step, 1.35971 hours remaining, 241.062500 MB of memory in use. ENERGY: 3453000 3941.4660 20416.6401 14438.2547 261.1409 -203620.2031 2618.1464 0.0000 0.0000 52291.0352 -109653.5198 300.5173 -161944.5550 -109297.4554 299.1962 36.3906 60.9597 760394.5289 -9.6577 -9.7757 PRESSURE: 3453200 147.389 121.85 -307.12 121.85 -15.5487 -320.246 -307.12 -320.245 184.843 GPRESSURE: 3453200 118.76 185.16 -236.77 90.4178 53.7813 -189.499 -311.614 -386.827 240.325 PRESSAVG: 3453200 47.6474 -1.70207 23.3337 -1.70209 8.74085 -49.4439 23.3337 -49.4439 -8.44332 GPRESSAVG: 3453200 45.6253 -0.720155 23.1362 1.6565 11.0928 -49.2081 22.0689 -51.0681 -8.42888 TIMING: 3453200 CPU: 10978, 0.00312607/step Wall: 10978, 0.00312607/step, 1.34317 hours remaining, 241.062500 MB of memory in use. ENERGY: 3453200 3961.9189 20420.7959 14427.9738 242.0619 -203520.2590 2532.0402 0.0000 0.0000 52237.1425 -109698.3259 300.2076 -161935.4683 -109322.2359 298.7144 105.5609 137.6222 757091.6507 15.9817 16.0964 PRESSURE: 3453400 42.8699 -51.5179 -121.598 -51.5176 150.58 -69.1321 -121.598 -69.1318 181.885 GPRESSURE: 3453400 133.33 12.7302 -212.406 -150.154 75.1862 -112.64 -33.1201 106.523 249.41 PRESSAVG: 3453400 30.4501 3.14196 5.59655 3.14195 -20.1935 -40.7703 5.59651 -40.7704 10.1997 GPRESSAVG: 3453400 31.7046 1.94993 7.25357 1.48874 -21.3539 -40.4338 5.4123 -39.4622 10.2808 TIMING: 3453400 CPU: 10978.7, 0.0031591/step Wall: 10978.7, 0.0031591/step, 1.35718 hours remaining, 241.062500 MB of memory in use. ENERGY: 3453400 4006.2878 20590.1293 14449.1011 268.3536 -203291.2451 2423.7267 0.0000 0.0000 51840.9492 -109712.6974 297.9306 -161553.6466 -109352.9102 299.3055 125.1114 152.6422 757924.4371 6.8187 6.8772 PRESSURE: 3453600 -104.792 40.6866 99.1235 40.6864 138.399 28.2972 99.123 28.2976 396.366 GPRESSURE: 3453600 -35.1302 -88.4759 81.3241 98.9877 97.4814 86.2518 81.0343 39.0381 441.953 PRESSAVG: 3453600 12.3533 -58.995 9.60427 -58.995 -74.7289 4.62601 9.60425 4.62603 13.3375 GPRESSAVG: 3453600 11.7576 -58.5142 9.84113 -57.577 -75.1899 4.32565 8.52303 3.14431 14.054 TIMING: 3453600 CPU: 10979.3, 0.00313973/step Wall: 10979.3, 0.00313973/step, 1.34869 hours remaining, 241.062500 MB of memory in use. ENERGY: 3453600 3994.9789 20377.5529 14435.3854 253.8777 -203476.3723 2457.1100 0.0000 0.0000 52071.0298 -109886.4376 299.2529 -161957.4674 -109510.5943 299.1852 143.3245 168.1015 759421.2283 -16.3460 -16.4594 PRESSURE: 3453800 291.871 -187.759 3.95338 -187.76 225.818 -60.496 3.95345 -60.4959 -132.745 GPRESSURE: 3453800 199.97 -155.651 -1.22793 -138.706 344.364 -39.374 -34.311 -9.17764 -100.792 PRESSAVG: 3453800 6.69491 -1.35325 17.1025 -1.3532 41.989 14.5696 17.1025 14.5697 -18.8346 GPRESSAVG: 3453800 6.02676 -0.749196 17.9316 -2.17036 42.5593 14.2423 16.445 16.5307 -19.6902 TIMING: 3453800 CPU: 10979.9, 0.00313949/step Wall: 10979.9, 0.00313949/step, 1.34841 hours remaining, 241.062500 MB of memory in use. ENERGY: 3453800 3949.3958 20671.2149 14459.3270 228.5774 -203590.2998 2542.2372 0.0000 0.0000 51941.1235 -109798.4240 298.5064 -161739.5474 -109449.2618 298.8743 128.3145 147.8474 759352.8857 9.9498 9.6320 PRESSURE: 3454000 -317.225 21.7068 -162.319 21.7067 -581.217 -27.132 -162.319 -27.1312 -27.4327 GPRESSURE: 3454000 -342.483 -24.9119 -258.962 54.6015 -428.118 38.0706 -232.628 32.9415 -61.6752 PRESSAVG: 3454000 72.4665 18.7745 -31.9604 18.7745 -28.7977 15.2234 -31.9604 15.2233 14.4348 GPRESSAVG: 3454000 73.413 21.2625 -32.6092 16.773 -29.6125 16.0979 -30.4897 13.7519 14.4274 TIMING: 3454000 CPU: 10980.6, 0.00314294/step Wall: 10980.6, 0.00314294/step, 1.34972 hours remaining, 241.062500 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: 3454000 3964.1383 20406.5897 14394.5711 254.8349 -202986.0790 2038.9144 0.0000 0.0000 51677.3590 -110249.6715 296.9905 -161927.0305 -109886.0714 298.4248 -308.6249 -277.4253 760970.0522 19.3679 19.4093 PRESSURE: 3454200 -550.096 -136.685 -135.869 -136.684 -13.8992 113.956 -135.868 113.957 -1.11051 GPRESSURE: 3454200 -597.567 -104.22 -60.2155 -97.7485 72.6081 211.82 -86.7451 32.9245 64.2367 PRESSAVG: 3454200 -3.54228 -45.9923 -44.0687 -45.9923 -1.51262 -6.997 -44.0686 -6.997 7.40997 GPRESSAVG: 3454200 -3.1517 -45.6675 -44.5723 -44.6569 -1.45763 -7.48945 -42.5021 -6.13915 7.31391 TIMING: 3454200 CPU: 10981.2, 0.00314025/step Wall: 10981.2, 0.00314025/step, 1.34839 hours remaining, 241.062500 MB of memory in use. ENERGY: 3454200 3999.2654 20258.5679 14484.0632 238.3319 -203628.5464 2495.3028 0.0000 0.0000 51998.8066 -110154.2087 298.8379 -162153.0153 -109799.2590 297.9313 -188.3685 -153.5739 759503.2660 0.7850 0.9015 PRESSURE: 3454400 -71.1634 210.093 47.1173 210.094 212.681 107.966 47.1161 107.967 -199.592 GPRESSURE: 3454400 -111.352 185.555 30.0372 255.315 258.362 126 152.897 201.641 -120.793 PRESSAVG: 3454400 10.256 22.6919 -8.80098 22.6919 15.1747 -28.8108 -8.80096 -28.8108 10.1583 GPRESSAVG: 3454400 9.78227 21.3018 -8.67577 22.6316 15.4708 -28.9638 -9.7306 -28.2218 9.91026 TIMING: 3454400 CPU: 10981.8, 0.00313168/step Wall: 10981.8, 0.00313168/step, 1.34454 hours remaining, 241.062500 MB of memory in use. ENERGY: 3454400 4000.6522 20333.0552 14419.9246 239.9945 -202978.3713 2148.6871 0.0000 0.0000 51999.9819 -109836.0759 298.8446 -161836.0577 -109478.5097 298.2708 -19.3582 8.7389 759846.9353 11.8630 11.7211 PRESSURE: 3454600 284.22 171.755 -182.868 171.757 9.97569 -25.5027 -182.869 -25.5019 -267.881 GPRESSURE: 3454600 334.992 138.212 -165.618 160.405 -5.49854 0.0606583 -245.201 12.913 -209.423 PRESSAVG: 3454600 -46.1024 44.8219 14.9956 44.8219 38.2425 38.4858 14.9956 38.4857 0.749174 GPRESSAVG: 3454600 -45.1727 44.5182 14.1161 42.4545 37.6833 39.6671 16.7399 36.2593 1.2029 TIMING: 3454600 CPU: 10982.4, 0.00315796/step Wall: 10982.4, 0.00315796/step, 1.35564 hours remaining, 241.062500 MB of memory in use. ENERGY: 3454600 3916.1044 20492.9851 14424.0047 243.5866 -203440.4761 2475.8972 0.0000 0.0000 51975.9476 -109911.9505 298.7065 -161887.8981 -109548.4320 298.5263 8.7714 40.0234 760158.7397 -2.3702 -2.0955 PRESSURE: 3454800 219.454 14.3969 203.196 14.397 -65.2969 -151.163 203.196 -151.163 193.081 GPRESSURE: 3454800 277.897 33.9573 131.182 15.5129 -71.6251 -137.798 153.839 -117.374 213.658 PRESSAVG: 3454800 0.289228 15.3164 16.1006 15.3164 -2.2623 -7.3506 16.1006 -7.35061 7.2326 GPRESSAVG: 3454800 -0.362146 13.5865 17.9452 19.1131 -0.822866 -8.02915 13.8162 -8.03468 6.29261 TIMING: 3454800 CPU: 10983.1, 0.00317024/step Wall: 10983.1, 0.00317024/step, 1.36074 hours remaining, 241.062500 MB of memory in use. ENERGY: 3454800 3886.6476 20499.6971 14421.9785 235.0419 -203378.1930 2411.7817 0.0000 0.0000 51917.2071 -110005.8391 298.3689 -161923.0462 -109642.2847 298.3432 115.7461 139.9766 759513.5431 1.7532 1.7025 PRESSURE: 3455000 -183.841 -104.909 37.7166 -104.909 -261.299 -11.2896 37.7169 -11.2891 -81.7221 GPRESSURE: 3455000 -60.9145 -87.5368 27.1098 -123.272 -309.061 -2.98937 109.038 -22.6756 -40.6786 PRESSAVG: 3455000 -39.6815 -11.6402 0.270276 -11.6401 64.5683 24.9595 0.270274 24.9595 -34.0598 GPRESSAVG: 3455000 -39.4401 -8.26184 0.226705 -14.7075 63.6486 24.0353 1.66535 27.2794 -32.9961 TIMING: 3455000 CPU: 10983.7, 0.00316745/step Wall: 10983.7, 0.00316745/step, 1.35936 hours remaining, 241.062500 MB of memory in use. ENERGY: 3455000 3975.7502 20386.1043 14371.5126 241.5998 -203258.2786 2309.0451 0.0000 0.0000 51934.2866 -110039.9801 298.4671 -161974.2667 -109683.3403 298.1660 -175.6208 -136.8847 762108.1657 -3.0576 -2.9292 PRESSURE: 3455200 220.208 74.3235 -238.2 74.3233 -220.387 62.5787 -238.201 62.5785 -171.618 GPRESSURE: 3455200 223.3 71.9354 -98.2116 2.33501 -167.282 48.335 -264.882 -2.97086 -133.495 PRESSAVG: 3455200 -22.4884 17.7144 0.144901 17.7145 -8.50243 -10.6275 0.144954 -10.6274 -1.18615 GPRESSAVG: 3455200 -22.6584 15.1257 -1.10147 18.2351 -8.07663 -9.95889 0.704028 -10.552 -1.39378 TIMING: 3455200 CPU: 10984.3, 0.00318577/step Wall: 10984.3, 0.00318577/step, 1.36705 hours remaining, 241.062500 MB of memory in use. ENERGY: 3455200 3930.6914 20358.5008 14410.3301 233.1341 -203337.7768 2255.9190 0.0000 0.0000 51993.0252 -110156.1761 298.8046 -162149.2014 -109791.1586 298.2409 -57.2656 -25.8256 760311.8471 -10.7257 -10.7096 PRESSURE: 3455400 -90.9859 297.759 54.9853 297.758 -48.5297 63.4501 54.9833 63.4508 -366.719 GPRESSURE: 3455400 -162.959 257.949 28.5184 249.118 68.8674 121.927 59.3309 58.2569 -305.962 PRESSAVG: 3455400 -11.7129 -23.3468 -30.5522 -23.3468 -12.2974 23.9084 -30.5522 23.9085 15.0772 GPRESSAVG: 3455400 -11.9349 -20.8731 -29.9993 -23.4561 -11.66 24.8527 -31.2514 23.2448 15.0761 TIMING: 3455400 CPU: 10985, 0.00319272/step Wall: 10985, 0.00319272/step, 1.36986 hours remaining, 241.062500 MB of memory in use. ENERGY: 3455400 4065.4822 20273.8165 14418.2009 245.2380 -203675.4800 2623.7236 0.0000 0.0000 51966.0702 -110082.9486 298.6497 -162049.0188 -109719.8461 297.9509 -168.7449 -133.3510 759558.0436 -2.9777 -2.8396 PRESSURE: 3455600 94.0844 168.932 -10.7135 168.932 398.481 130.495 -10.7138 130.495 96.0389 GPRESSURE: 3455600 165.166 54.3696 12.0973 258.559 407.302 206.48 -55.9429 90.1678 130.049 PRESSAVG: 3455600 -39.8172 -24.9465 10.7787 -24.9465 20.3471 44.0904 10.7787 44.0903 14.0618 GPRESSAVG: 3455600 -40.7949 -27.7899 10.8792 -24.6004 19.7346 44.4993 12.2185 45.0284 15.3742 TIMING: 3455600 CPU: 10985.6, 0.00316294/step Wall: 10985.6, 0.00316294/step, 1.3569 hours remaining, 241.062500 MB of memory in use. ENERGY: 3455600 3950.7897 20367.4422 14444.7529 260.0931 -203890.2470 2827.7210 0.0000 0.0000 52085.9194 -109953.5287 299.3385 -162039.4481 -109596.4335 298.7773 196.2016 234.1722 758013.5700 -1.8028 -1.8954 PRESSURE: 3455800 31.0068 107.57 -3.20593 107.57 -351.774 114.364 -3.20601 114.363 -264.395 GPRESSURE: 3455800 90.2262 93.0252 -9.59921 189.206 -351.624 89.7757 66.4639 -5.35955 -247.911 PRESSAVG: 3455800 25.9002 58.4728 -64.7516 58.4728 -8.29232 -13.0411 -64.7516 -13.0412 10.6053 GPRESSAVG: 3455800 28.0637 59.9518 -63.031 57.8513 -9.41345 -13.531 -66.1164 -13.6785 9.28533 TIMING: 3455800 CPU: 10986.2, 0.00315416/step Wall: 10986.2, 0.00315416/step, 1.35296 hours remaining, 241.062500 MB of memory in use. ENERGY: 3455800 4042.7002 20432.7569 14404.4705 243.0101 -203373.8238 2255.7707 0.0000 0.0000 51907.4863 -110087.6293 298.3130 -161995.1155 -109721.5177 298.2581 -195.0541 -169.7694 757993.0778 9.4044 9.3119 PRESSURE: 3456000 79.9202 -44.639 -197.38 -44.6384 -281.176 138.689 -197.38 138.689 140.673 GPRESSURE: 3456000 97.4351 -56.0793 -246.235 -81.0329 -177.791 86.865 -283.755 62.8892 91.0658 PRESSAVG: 3456000 -12.063 0.576005 -21.0067 0.576062 30.5242 -15.3014 -21.0068 -15.3013 -19.2707 GPRESSAVG: 3456000 -12.8275 0.272803 -21.5843 -0.716305 31.3654 -16.8821 -20.9149 -14.0167 -19.2152 TIMING: 3456000 CPU: 10986.9, 0.00315191/step Wall: 10986.9, 0.00315191/step, 1.35182 hours remaining, 241.062500 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: 3456000 3929.9019 20561.2974 14486.5662 245.7531 -203258.3259 2268.7582 0.0000 0.0000 51798.9380 -109967.1111 297.6892 -161766.0491 -109606.2479 298.6898 -20.1941 3.5700 759994.2725 -0.2698 -0.2258 PRESSURE: 3456200 -88.2637 -236.846 54.3519 -236.846 -122.054 -78.5416 54.3522 -78.5409 -323.818 GPRESSURE: 3456200 17.5042 -175.845 11.7264 -218.461 -134.329 -97.8877 21.7531 -86.466 -329.007 PRESSAVG: 3456200 -30.073 -52.5219 -16.9462 -52.522 12.7096 -45.3974 -16.9463 -45.3974 15.3887 GPRESSAVG: 3456200 -30.2312 -54.1043 -17.4194 -49.5479 13.1474 -45.3727 -16.1923 -46.2703 15.0035 TIMING: 3456200 CPU: 10987.5, 0.00315148/step Wall: 10987.5, 0.00315148/step, 1.35146 hours remaining, 241.062500 MB of memory in use. ENERGY: 3456200 3979.1283 20592.0417 14360.3628 236.5842 -203347.3885 2561.7222 0.0000 0.0000 51791.5566 -109825.9926 297.6468 -161617.5492 -109463.5168 298.7713 -178.0455 -148.6106 761374.9796 -0.6582 -0.6934 LDB: ============= START OF LOAD BALANCING ============== 11000 LDB: ============== END OF LOAD BALANCING =============== 11000 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11000 LDB: ============= START OF LOAD BALANCING ============== 11000.3 LDB: Largest compute 7025 load 0.033936 is 17.4% of average load 0.195315 LDB: Average compute 0.004370 is 2.2% of average load 0.195315 LDB: TIME 11000.3 LOAD: AVG 0.195315 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 11000.3 LOAD: AVG 0.195315 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 11000.3 LOAD: AVG 0.195315 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 11000.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11000.3 PRESSURE: 3456400 174.855 -4.17188 324.643 -4.1726 -369.549 -210.955 324.643 -210.955 -174.348 GPRESSURE: 3456400 111.128 15.4476 371.376 8.26289 -204.745 -263.998 285.591 -36.0933 -194.643 PRESSAVG: 3456400 64.175 -30.5554 -6.71215 -30.5554 -46.7724 -68.7439 -6.71218 -68.7439 -13.8414 GPRESSAVG: 3456400 62.0297 -30.6167 -6.9669 -30.9658 -45.2006 -66.0904 -7.05919 -69.2694 -13.1096 TIMING: 3456400 CPU: 10988.1, 0.00320654/step Wall: 10988.1, 0.00320654/step, 1.37489 hours remaining, 241.320312 MB of memory in use. ENERGY: 3456400 4050.5130 20351.3737 14451.0896 246.4485 -203341.7279 2443.1290 0.0000 0.0000 52089.2305 -109709.9435 299.3575 -161799.1740 -109361.7883 298.8719 -123.0137 -96.0870 759665.4366 1.1871 1.2398 PRESSURE: 3456600 19.7334 -190.293 81.7816 -190.293 222.868 -293.603 81.7816 -293.602 -17.1962 GPRESSURE: 3456600 97.5543 -159.476 153.549 -116.809 238.892 -325.335 69.2992 -286.824 -30.8452 PRESSAVG: 3456600 -25.0307 -38.818 30.3032 -38.818 -22.793 -40.8061 30.3032 -40.806 -6.91422 GPRESSAVG: 3456600 -23.0659 -38.2632 31.1806 -39.8815 -24.4456 -42.0506 28.5235 -41.3922 -7.44503 TIMING: 3456600 CPU: 10988.8, 0.0031522/step Wall: 10988.8, 0.0031522/step, 1.35142 hours remaining, 241.523438 MB of memory in use. ENERGY: 3456600 3939.3209 20476.0234 14444.5243 236.8023 -203348.3598 2535.0019 0.0000 0.0000 51882.3942 -109834.2928 298.1688 -161716.6870 -109465.4440 298.8201 75.1352 101.8670 760041.7920 -18.2460 -18.3189 PRESSURE: 3456800 -371.216 -97.4607 16.5066 -97.4605 -60.9908 -107.559 16.5071 -107.559 -373.409 GPRESSURE: 3456800 -371.506 -28.1616 -71.4067 -18.8307 -30.891 -210.251 24.7508 -278.787 -295.896 PRESSAVG: 3456800 -11.393 -34.5483 12.7866 -34.5482 0.758366 -26.1668 12.7867 -26.1668 7.19493 GPRESSAVG: 3456800 -12.4728 -33.6985 12.1302 -34.5474 0.423649 -24.5166 15.4788 -27.7061 9.04462 TIMING: 3456800 CPU: 10989.4, 0.00315364/step Wall: 10989.4, 0.00315364/step, 1.35186 hours remaining, 241.523438 MB of memory in use. ENERGY: 3456800 4039.7360 20475.5334 14487.2842 235.8688 -203149.5167 2596.4825 0.0000 0.0000 51748.0222 -109566.5897 297.3966 -161314.6118 -109197.8973 298.7071 -268.5386 -232.7642 762563.7742 -1.1466 -1.0015 PRESSURE: 3457000 -249.256 -102.04 97.8704 -102.039 77.3471 25.959 97.8704 25.959 -184.719 GPRESSURE: 3457000 -202.611 -172.885 120.91 -189.555 88.9953 68.2363 28.0439 13.2413 -147.079 PRESSAVG: 3457000 28.1856 -63.5831 81.1938 -63.583 -3.58378 -33.3307 81.1938 -33.3307 -9.60436 GPRESSAVG: 3457000 29.631 -63.9183 81.2803 -63.68 -4.10352 -34.6472 80.4539 -34.2476 -10.5468 TIMING: 3457000 CPU: 10990, 0.00315319/step Wall: 10990, 0.00315319/step, 1.35149 hours remaining, 241.523438 MB of memory in use. ENERGY: 3457000 3989.0486 20556.7268 14424.2752 246.7516 -202814.7320 2164.1145 0.0000 0.0000 52014.7250 -109419.0902 298.9293 -161433.8152 -109061.9213 299.1502 -118.8759 -86.8982 759856.9886 4.9992 4.9936 PRESSURE: 3457200 64.1371 -156.2 76.2153 -156.201 44.116 -13.2316 76.2162 -13.2302 -238.014 GPRESSURE: 3457200 0.730691 -189.041 69.507 -96.8916 116.815 -7.23379 32.7431 142.074 -165.442 PRESSAVG: 3457200 -11.6342 -44.1446 15.8778 -44.1447 33.6222 -55.1424 15.8778 -55.1424 0.758472 GPRESSAVG: 3457200 -12.5802 -44.1545 16.4413 -43.7046 35.1041 -54.4489 14.0727 -50.7689 0.577944 TIMING: 3457200 CPU: 10990.7, 0.00314674/step Wall: 10990.7, 0.00314674/step, 1.34855 hours remaining, 241.523438 MB of memory in use. ENERGY: 3457200 3984.3608 20469.8131 14491.5044 244.1470 -203149.2840 2427.4075 0.0000 0.0000 52088.2816 -109443.7696 299.3521 -161532.0512 -109082.3312 299.4322 -43.2536 -15.9654 759912.4029 7.5822 7.7006 PRESSURE: 3457400 392.669 -131.984 49.5654 -131.986 100.856 36.4839 49.5644 36.4833 310.361 GPRESSURE: 3457400 352.224 -166.452 22.8633 -42.4583 133.745 -28.5568 42.8194 -56.307 417.658 PRESSAVG: 3457400 55.4535 -77.5276 -14.3013 -77.5276 -28.9692 -19.4887 -14.3013 -19.4887 -8.98822 GPRESSAVG: 3457400 55.3866 -78.6704 -14.2239 -77.746 -30.1408 -21.4382 -13.7131 -21.2826 -8.24039 TIMING: 3457400 CPU: 10991.3, 0.00315845/step Wall: 10991.3, 0.00315845/step, 1.35339 hours remaining, 241.523438 MB of memory in use. ENERGY: 3457400 4000.5335 20553.7864 14399.9962 239.5537 -203791.5180 2884.2059 0.0000 0.0000 52143.7578 -109569.6845 299.6709 -161713.4423 -109206.7495 299.2141 267.9621 301.2088 759019.3666 5.8320 5.6685 PRESSURE: 3457600 112.316 -90.4384 -161.646 -90.4383 2.56292 9.18699 -161.646 9.18786 87.2052 GPRESSURE: 3457600 239.413 -92.0326 -179.258 -181.794 -16.6318 -64.3254 -243.118 51.0874 68.7396 PRESSAVG: 3457600 11.6777 -44.4717 -49.1008 -44.4717 -1.33881 -12.6109 -49.1008 -12.611 15.8875 GPRESSAVG: 3457600 11.4736 -43.239 -48.5462 -45.4743 -1.84884 -11.9748 -49.9577 -12.7854 16.551 TIMING: 3457600 CPU: 10991.9, 0.00315242/step Wall: 10991.9, 0.00315242/step, 1.35064 hours remaining, 241.523438 MB of memory in use. ENERGY: 3457600 3915.7206 20335.7420 14437.8013 240.9633 -203271.3121 2529.1628 0.0000 0.0000 52192.2979 -109619.6243 299.9499 -161811.9221 -109246.5160 299.5483 67.3614 97.1736 762219.0973 8.7421 8.7252 PRESSURE: 3457800 -270.497 -140.23 -134.909 -140.23 -271.936 133.311 -134.909 133.312 -168.079 GPRESSURE: 3457800 -127.784 -29.7984 -189.211 -141.333 -294.78 172.16 -48.8118 214.082 -176.414 PRESSAVG: 3457800 47.9741 -16.3016 -21.4967 -16.3016 -24.1673 36.802 -21.4967 36.802 -9.96293 GPRESSAVG: 3457800 49.0405 -17.8561 -21.4797 -16.6756 -24.4757 37.2072 -22.2735 36.6509 -10.2467 TIMING: 3457800 CPU: 10992.6, 0.0031785/step Wall: 10992.6, 0.0031785/step, 1.36163 hours remaining, 241.523438 MB of memory in use. ENERGY: 3457800 3977.9531 20284.1203 14462.9255 252.0214 -202777.9420 2243.0454 0.0000 0.0000 52093.7078 -109464.1687 299.3833 -161557.8765 -109105.2923 299.1061 -236.8376 -199.6594 761721.6052 4.6146 4.7727 PRESSURE: 3458000 463.814 -101.719 126.803 -101.719 276.504 57.8108 126.802 57.8107 -245.26 GPRESSURE: 3458000 391.062 -41.0867 154.848 -146.241 462.925 7.99697 -16.5033 -145.664 -280.52 PRESSAVG: 3458000 52.1759 -43.392 -13.2044 -43.392 -18.5719 -28.8367 -13.2043 -28.8366 29.3761 GPRESSAVG: 3458000 51.2509 -42.7834 -13.5699 -41.0774 -17.4542 -28.6073 -12.5799 -29.7551 29.2386 TIMING: 3458000 CPU: 10993.2, 0.00318013/step Wall: 10993.2, 0.00318013/step, 1.36216 hours remaining, 241.523438 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: 3458000 3933.5810 20447.4187 14494.5350 274.7555 -203742.6767 2821.2786 0.0000 0.0000 52025.6819 -109745.4261 298.9923 -161771.1079 -109375.6263 298.8073 165.0192 191.1555 760473.6928 20.9934 21.0117 PRESSURE: 3458200 -172.645 -1.153 -26.4516 -1.15329 221.677 -111.655 -26.4522 -111.656 -97.6691 GPRESSURE: 3458200 77.9727 -134.745 -21.5219 -61.0787 98.6571 -166.362 -43.3414 -214.131 -129.712 PRESSAVG: 3458200 -20.4621 -43.7097 17.1601 -43.7098 46.6121 -43.3155 17.16 -43.3155 0.146083 GPRESSAVG: 3458200 -20.0022 -42.7661 16.1507 -45.2776 45.0605 -43.2161 17.8162 -42.8268 1.25342 TIMING: 3458200 CPU: 10993.8, 0.00316514/step Wall: 10993.8, 0.00316514/step, 1.35556 hours remaining, 241.523438 MB of memory in use. ENERGY: 3458200 3916.1490 20524.7655 14479.5615 251.0193 -203176.4286 2336.2458 0.0000 0.0000 51850.3222 -109818.3653 297.9845 -161668.6875 -109463.8745 298.6826 -16.2123 15.6393 761132.0881 8.7654 8.7706 PRESSURE: 3458400 -202.43 -72.1137 -236.194 -72.1134 -85.4542 -111.345 -236.194 -111.346 -374.157 GPRESSURE: 3458400 -209.147 13.549 -308.397 -70.1545 35.3925 -115.942 -210.548 15.8535 -383.259 PRESSAVG: 3458400 -42.186 -37.8674 -9.46464 -37.8673 66.4785 0.0178502 -9.46464 0.0178453 -19.2965 GPRESSAVG: 3458400 -42.6755 -37.2462 -8.04908 -37.0933 68.7198 -0.698472 -9.00678 1.67952 -20.753 TIMING: 3458400 CPU: 10994.5, 0.003153/step Wall: 10994.5, 0.003153/step, 1.35019 hours remaining, 241.523438 MB of memory in use. ENERGY: 3458400 4008.5308 20446.1928 14520.9662 249.1492 -203327.1267 2300.8771 0.0000 0.0000 51980.8674 -109820.5431 298.7348 -161801.4106 -109461.6934 298.7780 -220.6803 -185.6710 760670.0967 1.6653 1.7637 PRESSURE: 3458600 59.8416 -184.228 -229.398 -184.229 408.378 -89.7118 -229.397 -89.7119 11.3238 GPRESSURE: 3458600 137.78 -157.19 -201.028 -59.091 351.703 -62.9839 -43.5274 7.33456 70.434 PRESSAVG: 3458600 -71.8307 -75.8121 -65.6314 -75.8121 75.504 -4.21026 -65.6314 -4.21039 16.3852 GPRESSAVG: 3458600 -70.2679 -76.4625 -67.3332 -74.0534 73.6057 -4.02599 -66.33 -3.30239 16.6754 TIMING: 3458600 CPU: 10995.1, 0.00314867/step Wall: 10995.1, 0.00314867/step, 1.34815 hours remaining, 241.523438 MB of memory in use. ENERGY: 3458600 4024.2208 20561.7469 14523.6249 247.0492 -203329.3637 2372.6096 0.0000 0.0000 51856.3887 -109743.7235 298.0194 -161600.1122 -109384.6535 299.3563 159.8478 186.6387 760369.5443 6.6862 6.6711 PRESSURE: 3458800 117.008 -115.323 77.612 -115.323 -84.94 -131.5 77.612 -131.5 121.206 GPRESSURE: 3458800 209.187 -142.835 122.051 -65.1625 -57.5749 -154.161 3.00325 -106.064 88.8809 PRESSAVG: 3458800 -13.8018 -11.407 -17.8945 -11.4069 30.1939 68.8758 -17.8944 68.8759 -11.5998 GPRESSAVG: 3458800 -13.5815 -11.684 -16.8674 -11.7957 29.6043 69.2241 -18.7257 67.7516 -11.1118 TIMING: 3458800 CPU: 10995.7, 0.00316442/step Wall: 10995.7, 0.00316442/step, 1.35472 hours remaining, 241.523438 MB of memory in use. ENERGY: 3458800 3976.6218 20578.2443 14514.5221 237.8315 -203355.8641 2350.9331 0.0000 0.0000 51713.7594 -109983.9520 297.1997 -161697.7113 -109632.6218 298.4713 51.0912 80.1642 760002.2358 1.5975 1.6370 PRESSURE: 3459000 328.779 285.829 -26.5332 285.828 259.933 141.636 -26.5332 141.635 -233.143 GPRESSURE: 3459000 287.349 155.615 8.22784 191.177 348.612 222.725 -45.9817 34.6029 -176.55 PRESSAVG: 3459000 29.1301 -20.8763 9.05414 -20.8763 -30.6457 15.6397 9.05409 15.6398 21.5526 GPRESSAVG: 3459000 27.2343 -21.4846 9.83741 -21.6218 -28.5906 15.466 9.93622 14.4521 21.4396 TIMING: 3459000 CPU: 10996.4, 0.00314993/step Wall: 10996.4, 0.00314993/step, 1.34834 hours remaining, 241.523438 MB of memory in use. ENERGY: 3459000 3985.7975 20559.7067 14458.4728 251.9757 -203703.0540 2755.6782 0.0000 0.0000 51891.7126 -109799.7104 298.2224 -161691.4231 -109443.2304 298.1942 118.5231 153.1373 760280.7895 6.6790 6.6944 PRESSURE: 3459200 -200.63 -271.048 -37.5966 -271.048 -108.372 -159.233 -37.5965 -159.232 -144.583 GPRESSURE: 3459200 -235.721 -225.088 -38.7208 -166.671 -108.672 -177.418 40.3983 -51.7933 -35.7684 PRESSAVG: 3459200 27.4047 -48.464 -37.0205 -48.464 8.30902 -39.6062 -37.0205 -39.6062 11.2458 GPRESSAVG: 3459200 28.1166 -48.1564 -38.4147 -47.884 7.1284 -39.3668 -36.0486 -39.7729 11.4832 TIMING: 3459200 CPU: 10997, 0.00316572/step Wall: 10997, 0.00316572/step, 1.35493 hours remaining, 241.523438 MB of memory in use. ENERGY: 3459200 3979.5505 20521.9772 14498.3605 232.8252 -203418.4070 2469.4838 0.0000 0.0000 51991.5441 -109724.6656 298.7961 -161716.2097 -109381.0440 298.5578 -151.1946 -126.7207 760652.9186 15.6532 15.5761 PRESSURE: 3459400 -27.31 76.5203 10.8866 76.5205 26.3482 -40.4891 10.8868 -40.49 493.028 GPRESSURE: 3459400 48.626 122.336 45.1656 171.156 104.819 -92.0194 99.4174 77.5743 438.467 PRESSAVG: 3459400 35.205 -50.4222 -42.0932 -50.4221 -9.77913 -1.38468 -42.0932 -1.38464 6.91173 GPRESSAVG: 3459400 34.2418 -50.2312 -41.5222 -51.4417 -8.59309 -0.481611 -43.8674 -1.31795 6.40686 TIMING: 3459400 CPU: 10997.6, 0.00314841/step Wall: 10997.6, 0.00314841/step, 1.34734 hours remaining, 241.523438 MB of memory in use. ENERGY: 3459400 3956.0252 20440.9899 14498.5062 234.6781 -203564.9463 2392.1498 0.0000 0.0000 52264.3850 -109778.2120 300.3641 -162042.5970 -109415.0659 299.1980 164.0222 197.3041 759328.7362 10.7792 10.6852 PRESSURE: 3459600 -134.985 -21.1071 125.031 -21.1058 147.963 31.3988 125.031 31.399 258.791 GPRESSURE: 3459600 -64.882 -47.1863 230.747 21.4212 166.137 33.2482 30.7998 -20.9044 244.779 PRESSAVG: 3459600 -9.91198 -36.9596 -15.9898 -36.9597 15.6124 26.4114 -15.9899 26.4115 -23.4961 GPRESSAVG: 3459600 -9.74929 -35.1747 -15.0668 -36.0683 14.1118 24.9492 -16.2838 26.9503 -22.4528 TIMING: 3459600 CPU: 10998.3, 0.0031606/step Wall: 10998.3, 0.0031606/step, 1.35238 hours remaining, 241.523438 MB of memory in use. ENERGY: 3459600 3917.0435 20517.9630 14491.6843 245.1418 -203677.6393 2672.7568 0.0000 0.0000 52031.0652 -109801.9847 299.0232 -161833.0500 -109445.8856 298.9962 90.5897 115.3449 759437.3777 -5.9319 -6.0301 PRESSURE: 3459800 -41.8975 10.4458 -33.5448 10.4461 78.0422 -94.4519 -33.5443 -94.4525 -175.567 GPRESSURE: 3459800 -26.4092 -63.2832 -95.9547 -8.08848 111.676 -134.405 30.2694 -20.3166 -119.67 PRESSAVG: 3459800 12.6932 -30.9802 21.7169 -30.9802 9.87817 -66.632 21.7169 -66.632 0.992238 GPRESSAVG: 3459800 13.9156 -31.9943 18.6392 -31.8048 10.2045 -66.8822 25.1903 -67.9107 -0.243658 TIMING: 3459800 CPU: 10998.9, 0.00316577/step Wall: 10998.9, 0.00316577/step, 1.35442 hours remaining, 241.523438 MB of memory in use. ENERGY: 3459800 4026.2981 20523.5014 14443.7411 244.2544 -203445.6381 2613.2168 0.0000 0.0000 51744.2547 -109850.3715 297.3749 -161594.6262 -109504.0652 298.6455 -46.4741 -11.4678 759949.1062 7.8545 7.9588 PRESSURE: 3460000 111.748 -103.5 10.5282 -103.501 402.146 245.804 10.5278 245.806 470.562 GPRESSURE: 3460000 192.085 -112.37 -35.7495 -108.341 360.825 180.372 -7.98833 280.922 530.712 PRESSAVG: 3460000 30.8349 -39.1295 -55.1024 -39.1296 4.95039 -22.1097 -55.1024 -22.1097 17.3959 GPRESSAVG: 3460000 30.7945 -40.3032 -52.5884 -37.5251 4.70692 -21.4883 -56.1891 -20.2483 18.8303 TIMING: 3460000 CPU: 10999.5, 0.00315935/step Wall: 10999.5, 0.00315935/step, 1.3515 hours remaining, 241.523438 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: 3460000 3999.2801 20543.4539 14439.5308 232.9012 -203331.2877 2598.1873 0.0000 0.0000 51783.6654 -109734.2690 297.6014 -161517.9344 -109380.5364 298.5427 328.1519 361.2073 760081.2879 17.7271 18.1106 PRESSURE: 3460200 281.993 -153.64 84.1638 -153.641 304.962 37.3703 84.1639 37.3707 56.7021 GPRESSURE: 3460200 345.98 -29.8218 152.139 -151.791 361.884 49.3482 44.4314 -86.0524 26.4965 PRESSAVG: 3460200 -17.2839 -47.7438 -13.8009 -47.7438 8.94062 11.9714 -13.801 11.9715 -22.6385 GPRESSAVG: 3460200 -18.5646 -47.7778 -15.5064 -47.7297 10.3097 11.2694 -13.9834 10.3328 -23.4081 TIMING: 3460200 CPU: 11000.2, 0.00316142/step Wall: 11000.2, 0.00316142/step, 1.35221 hours remaining, 241.523438 MB of memory in use. ENERGY: 3460200 3994.4207 20300.5946 14545.3796 237.0408 -203816.5314 2813.2814 0.0000 0.0000 51953.6801 -109972.1342 298.5785 -161925.8143 -109617.7174 298.7794 214.5524 244.7867 759046.9841 -10.3272 -10.5543 LDB: ============= START OF LOAD BALANCING ============== 11012.6 LDB: ============== END OF LOAD BALANCING =============== 11012.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11012.6 LDB: ============= START OF LOAD BALANCING ============== 11012.9 LDB: Largest compute 7066 load 0.033500 is 17.1% of average load 0.195418 LDB: Average compute 0.004376 is 2.2% of average load 0.195418 LDB: TIME 11012.9 LOAD: AVG 0.195418 MAX 0.215001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 11012.9 LOAD: AVG 0.195418 MAX 0.215001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 11012.9 LOAD: AVG 0.195418 MAX 0.215001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 11012.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11012.9 PRESSURE: 3460400 -33.9076 191.537 -11.9713 191.537 110.281 21.9674 -11.971 21.9672 -258.818 GPRESSURE: 3460400 53.8493 117.115 -90.5924 158.436 104.571 -11.6791 -56.4908 -74.5489 -259.098 PRESSAVG: 3460400 23.5582 -47.6554 -58.6931 -47.6554 -16.3645 29.8052 -58.6931 29.8052 -6.50367 GPRESSAVG: 3460400 24.1461 -46.8 -59.2096 -48.2816 -16.7095 30.8065 -57.7931 29.3227 -6.44774 TIMING: 3460400 CPU: 11000.8, 0.00322485/step Wall: 11000.8, 0.00322485/step, 1.37916 hours remaining, 241.898438 MB of memory in use. ENERGY: 3460400 3986.1291 20316.1369 14431.6619 248.9252 -203529.8313 2464.5952 0.0000 0.0000 52053.0992 -110029.2838 299.1499 -162082.3830 -109662.4455 298.3597 -60.8150 -33.5590 757662.2010 0.2300 0.3296 PRESSURE: 3460600 -91.2772 -44.3263 -41.6061 -44.3268 111.159 248.653 -41.606 248.653 25.9044 GPRESSURE: 3460600 -27.7353 14.0093 -72.5547 5.8845 144.688 115.119 -125.493 144.638 7.15246 PRESSAVG: 3460600 30.9883 -43.2291 -3.37527 -43.2291 -22.3551 12.5189 -3.37532 12.5188 7.7408 GPRESSAVG: 3460600 31.7731 -42.465 -1.9975 -44.7038 -22.2996 10.7499 -5.22367 14.319 7.0829 TIMING: 3460600 CPU: 11001.4, 0.00315447/step Wall: 11001.4, 0.00315447/step, 1.34889 hours remaining, 241.906250 MB of memory in use. ENERGY: 3460600 4012.3562 20611.2859 14512.4428 228.6205 -203660.0057 2476.9179 0.0000 0.0000 51926.0211 -109892.3613 298.4196 -161818.3824 -109532.5736 298.3485 15.2622 41.3684 758581.7760 5.4580 5.5188 PRESSURE: 3460800 -88.668 83.1325 -59.7011 83.1324 -181.364 59.6233 -59.701 59.6239 -20.9115 GPRESSURE: 3460800 -84.5796 80.8798 -26.417 139.561 -121.908 81.794 -3.47205 1.05206 7.13981 PRESSAVG: 3460800 -15.359 -0.684845 5.76476 -0.684824 -4.09085 48.4714 5.76478 48.4714 13.535 GPRESSAVG: 3460800 -14.7096 -0.911888 5.81911 0.734214 -4.30686 49.1331 5.34947 49.3305 12.9809 TIMING: 3460800 CPU: 11002.1, 0.00317237/step Wall: 11002.1, 0.00317237/step, 1.35636 hours remaining, 241.906250 MB of memory in use. ENERGY: 3460800 3931.1957 20392.0272 14396.0698 240.3150 -202972.0777 2114.9095 0.0000 0.0000 51971.8240 -109925.7365 298.6828 -161897.5605 -109566.8444 298.8163 -96.9812 -66.4493 761258.6320 -1.9716 -2.0118 PRESSURE: 3461000 168.773 225.983 164.538 225.983 -151.795 36.3446 164.538 36.3454 189.855 GPRESSURE: 3461000 247.552 86.2872 183.061 124.848 -167.49 -74.5364 137.463 43.9246 222.681 PRESSAVG: 3461000 4.59909 6.98929 -0.0281415 6.98927 -8.60574 22.9992 -0.0281278 22.9993 12.0395 GPRESSAVG: 3461000 3.53954 6.2431 0.7228 8.45503 -8.70241 22.7458 -0.368629 21.433 13.0788 TIMING: 3461000 CPU: 11002.7, 0.00313404/step Wall: 11002.7, 0.00313404/step, 1.3398 hours remaining, 241.906250 MB of memory in use. ENERGY: 3461000 3898.8613 20399.5303 14480.5477 239.2217 -203600.6986 2614.8966 0.0000 0.0000 51988.6746 -109978.9664 298.7796 -161967.6410 -109623.2363 298.5659 68.9447 100.9146 760108.9504 2.6776 2.6386 PRESSURE: 3461200 -184.614 -125.487 29.6995 -125.487 -22.395 168.226 29.7005 168.225 -53.5912 GPRESSURE: 3461200 -11.7606 -127.012 -31.4057 -166.945 -42.0796 194.702 0.975109 134.263 -107.12 PRESSAVG: 3461200 18.2559 8.98438 10.9501 8.98433 -12.2783 66.9998 10.9501 66.9998 12.6155 GPRESSAVG: 3461200 17.8166 9.71176 10.2704 6.97739 -11.0148 67.4312 12.9811 65.7342 12.1542 TIMING: 3461200 CPU: 11003.3, 0.00313087/step Wall: 11003.3, 0.00313087/step, 1.33827 hours remaining, 241.906250 MB of memory in use. ENERGY: 3461200 4007.2826 20485.1872 14429.2568 247.5237 -203481.6151 2402.4538 0.0000 0.0000 51847.0752 -110062.8358 297.9659 -161909.9111 -109704.7627 298.7526 -86.8669 -53.6533 760902.9083 6.1977 6.3187 PRESSURE: 3461400 -232.267 -58.675 106.513 -58.6754 -35.9028 284.899 106.513 284.897 -118.379 GPRESSURE: 3461400 -109.628 -63.9595 115.9 -83.8933 -29.4541 256.659 155.671 85.933 -142.391 PRESSAVG: 3461400 25.3481 -2.90745 1.51448 -2.90738 -20.4766 32.095 1.51446 32.095 3.13047 GPRESSAVG: 3461400 24.9069 -2.31606 0.884674 -2.03419 -21.3486 32.7764 1.5332 33.8917 3.71951 TIMING: 3461400 CPU: 11003.9, 0.00314369/step Wall: 11003.9, 0.00314369/step, 1.34358 hours remaining, 241.906250 MB of memory in use. ENERGY: 3461400 4002.3862 20175.6422 14499.7140 256.7751 -203278.4289 2217.9943 0.0000 0.0000 52139.8286 -109986.0886 299.6483 -162125.9171 -109616.9174 298.5991 -128.8496 -93.8246 760576.9629 2.6673 2.4259 PRESSURE: 3461600 -37.9937 283.163 146.019 283.163 86.2383 -69.1034 146.019 -69.1016 109.101 GPRESSURE: 3461600 -99.378 223.075 140.585 255.018 111.884 -84.3352 125.501 13.0824 209.417 PRESSAVG: 3461600 13.0548 6.99163 41.3824 6.9916 -36.7847 -10.3996 41.3825 -10.3996 -0.176671 GPRESSAVG: 3461600 14.3966 5.27634 42.866 6.59129 -37.4363 -11.2701 40.5147 -11.3599 -0.586273 TIMING: 3461600 CPU: 11004.6, 0.00312296/step Wall: 11004.6, 0.00312296/step, 1.33455 hours remaining, 241.906250 MB of memory in use. ENERGY: 3461600 3973.9294 20459.4346 14443.9973 250.7344 -203457.1118 2466.2601 0.0000 0.0000 51992.7516 -109870.0044 298.8031 -161862.7560 -109516.8368 298.3722 52.4485 73.9743 760358.6444 -7.9689 -7.8753 PRESSURE: 3461800 -643.374 137.505 56.0632 137.505 -102.65 145.444 56.0642 145.443 -154.405 GPRESSURE: 3461800 -595.54 127.486 56.1761 76.1016 0.139071 145.898 -33.8259 188.89 -230.098 PRESSAVG: 3461800 -79.8011 -12.8145 54.2119 -12.8146 88.8909 17.4352 54.212 17.4353 17.0847 GPRESSAVG: 3461800 -81.045 -10.8228 54.4344 -12.506 88.8376 16.0367 52.5134 18.2426 17.7622 TIMING: 3461800 CPU: 11005.2, 0.00316618/step Wall: 11005.2, 0.00316617/step, 1.35284 hours remaining, 241.906250 MB of memory in use. ENERGY: 3461800 4022.5141 20426.7855 14501.1955 231.4174 -203194.9997 2311.7943 0.0000 0.0000 51810.6146 -109890.6784 297.7563 -161701.2930 -109533.5441 298.5643 -300.1428 -275.1664 759910.8180 8.7249 8.5183 PRESSURE: 3462000 -3.5906 -134.264 -9.31742 -134.264 -220.261 -137.293 -9.31715 -137.293 -167.148 GPRESSURE: 3462000 45.4941 -315.272 84.9484 -146.351 -162.774 -165.917 -74.8814 -153.122 -162.336 PRESSAVG: 3462000 -59.4983 -41.2889 -1.9279 -41.2888 33.5542 -19.8026 -1.92794 -19.8025 -9.177 GPRESSAVG: 3462000 -58.1299 -43.2724 -1.46809 -41.2811 32.9801 -18.1892 0.448877 -19.1369 -10.2598 TIMING: 3462000 CPU: 11005.8, 0.00317934/step Wall: 11005.8, 0.00317934/step, 1.35828 hours remaining, 241.906250 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: 3462000 4005.4353 20512.5461 14393.6093 235.5519 -203368.1196 2371.9300 0.0000 0.0000 52119.4403 -109729.6067 299.5311 -161849.0470 -109370.8450 298.7613 -130.3334 -93.2052 759672.2214 -11.7070 -11.8032 PRESSURE: 3462200 -234.296 72.2369 -273.007 72.2367 -171.069 -0.215949 -273.007 -0.216905 14.1909 GPRESSURE: 3462200 -182.539 132.092 -236.9 137.817 -121.428 40.7028 -253.709 -56.1324 5.58791 PRESSAVG: 3462200 -46.8512 -37.5866 -39.8696 -37.5866 23.3181 -21.1307 -39.8696 -21.1307 -1.85846 GPRESSAVG: 3462200 -47.36 -37.9121 -39.768 -36.7243 23.2298 -21.4991 -39.3413 -22.5651 -1.4721 TIMING: 3462200 CPU: 11006.5, 0.00314959/step Wall: 11006.5, 0.00314959/step, 1.3454 hours remaining, 241.906250 MB of memory in use. ENERGY: 3462200 4051.0016 20492.9501 14421.3944 258.4837 -203346.5320 2453.6340 0.0000 0.0000 51658.5696 -110010.4988 296.8825 -161669.0684 -109654.4170 298.5473 -130.3914 -99.4598 759202.8137 -8.4638 -8.5341 PRESSURE: 3462400 -178.378 -37.0679 251.763 -37.0684 227.911 73.1701 251.763 73.1699 99.1394 GPRESSURE: 3462400 -92.0251 -63.5098 283.955 -110.904 133.229 10.9678 204.963 102.775 177.318 PRESSAVG: 3462400 -19.4161 -30.1293 -17.2463 -30.1292 84.2117 45.8293 -17.2463 45.8293 3.76084 GPRESSAVG: 3462400 -19.3067 -28.199 -19.2583 -30.2305 84.941 46.1273 -16.7926 47.2015 3.31966 TIMING: 3462400 CPU: 11007.1, 0.00315394/step Wall: 11007.1, 0.00315394/step, 1.34708 hours remaining, 241.906250 MB of memory in use. ENERGY: 3462400 3986.7736 20401.1592 14426.5596 260.8052 -203945.3694 2474.3890 0.0000 0.0000 52030.1719 -110365.5108 299.0181 -162395.6827 -110009.5906 297.8419 49.5572 72.8406 759281.6767 22.8521 22.9847 PRESSURE: 3462600 -10.4412 315.474 131.981 315.474 -85.525 -236.742 131.98 -236.742 -351.511 GPRESSURE: 3462600 11.134 230.397 125.448 358.272 -60.6974 -140.892 144.618 -326.213 -287.623 PRESSAVG: 3462600 3.53105 -17.9121 -19.4647 -17.9122 13.4535 -21.3061 -19.4647 -21.3061 -10.5681 GPRESSAVG: 3462600 3.10741 -19.4323 -18.3002 -18.3573 12.6011 -20.229 -19.7439 -20.7885 -9.51705 TIMING: 3462600 CPU: 11007.7, 0.00314591/step Wall: 11007.7, 0.00314591/step, 1.34348 hours remaining, 241.906250 MB of memory in use. ENERGY: 3462600 4022.2004 20456.8811 14424.7535 253.9634 -203933.1513 2644.9566 0.0000 0.0000 51939.4200 -110190.9762 298.4966 -162130.3962 -109839.6972 298.2043 -149.1591 -112.3954 758151.2685 2.1388 2.0638 PRESSURE: 3462800 8.91957 -119.441 11.3736 -119.441 42.8201 133.216 11.3744 133.216 -109.942 GPRESSURE: 3462800 -13.5178 -106.322 -115.325 -100.864 98.9019 152.211 -57.4846 16.3171 -39.5279 PRESSAVG: 3462800 45.9778 -51.5384 -52.4055 -51.5384 -34.3274 -37.7704 -52.4055 -37.7704 6.25747 GPRESSAVG: 3462800 46.2154 -51.2108 -54.1989 -49.706 -32.8512 -38.0099 -52.2814 -39.533 5.30007 TIMING: 3462800 CPU: 11008.4, 0.00313718/step Wall: 11008.4, 0.00313718/step, 1.33957 hours remaining, 241.906250 MB of memory in use. ENERGY: 3462800 3904.7969 20452.8688 14496.5233 223.1134 -203787.1550 2533.5727 0.0000 0.0000 51922.6791 -110253.6007 298.4004 -162176.2798 -109894.5026 297.7164 -19.4009 15.2854 759068.8053 5.9693 6.2214 PRESSURE: 3463000 -187.624 90.1537 -111.96 90.1539 -553.98 -104.889 -111.961 -104.889 -148.946 GPRESSURE: 3463000 -104.484 14.0005 -113.595 53.2606 -517.67 -125.779 -53.719 -80.9263 -192.801 PRESSAVG: 3463000 26.8397 -37.0306 16.2222 -37.0306 -3.69909 -49.8064 16.2222 -49.8065 -20.4262 GPRESSAVG: 3463000 27.2041 -38.524 16.3974 -37.771 -4.23846 -51.0157 15.6989 -48.08 -19.6331 TIMING: 3463000 CPU: 11009, 0.00313979/step Wall: 11009, 0.00313979/step, 1.34051 hours remaining, 241.906250 MB of memory in use. ENERGY: 3463000 3988.8376 20412.6411 14445.7330 256.1881 -203207.2499 2137.6043 0.0000 0.0000 51712.0315 -110254.2143 297.1898 -161966.2458 -109899.3269 297.5150 -296.8499 -271.6520 759808.9639 0.9048 1.1109 PRESSURE: 3463200 -252.058 -111.29 -195.127 -111.289 -71.1064 304.903 -195.126 304.904 -241.569 GPRESSURE: 3463200 -285.793 62.7716 -128.73 -77.4787 -81.3675 171.01 -152.24 300.651 -115.653 PRESSAVG: 3463200 -35.6167 -22.8797 -6.07896 -22.8797 -1.2947 55.0695 -6.07888 55.0696 27.0216 GPRESSAVG: 3463200 -36.7501 -19.8109 -3.91263 -25.8313 -0.635221 54.346 -6.56606 53.9959 27.7623 TIMING: 3463200 CPU: 11009.6, 0.00315714/step Wall: 11009.6, 0.00315714/step, 1.34775 hours remaining, 241.906250 MB of memory in use. ENERGY: 3463200 4013.1871 20459.4424 14534.2357 249.4472 -203368.7821 2394.1985 0.0000 0.0000 51794.1980 -109924.0731 297.6620 -161718.2711 -109574.5286 298.3369 -188.2444 -160.9380 759199.8229 -3.2966 -3.2077 PRESSURE: 3463400 -116.496 -69.334 -13.5047 -69.3332 148.658 -7.15367 -13.5043 -7.15334 225.039 GPRESSURE: 3463400 24.8932 -97.3586 -46.5616 -112.497 143.144 6.86599 -32.864 -27.8876 175.544 PRESSAVG: 3463400 0.425197 2.50194 -60.2628 2.502 -11.6162 63.8452 -60.2628 63.8452 -12.3122 GPRESSAVG: 3463400 2.16801 1.42287 -61.1672 4.83706 -11.606 64.8781 -58.2953 63.9597 -13.6603 TIMING: 3463400 CPU: 11010.2, 0.00316827/step Wall: 11010.2, 0.00316827/step, 1.35232 hours remaining, 241.906250 MB of memory in use. ENERGY: 3463400 3918.9780 20350.2707 14538.1167 260.3860 -203554.6756 2471.9061 0.0000 0.0000 52224.8091 -109790.2090 300.1367 -162015.0181 -109419.6084 299.1763 85.7337 114.5269 760227.0802 -7.8344 -7.6994 PRESSURE: 3463600 127.278 53.1462 17.7263 53.1456 124.168 67.3343 17.7268 67.3339 68.9964 GPRESSURE: 3463600 155.694 -39.4525 17.8016 80.871 153.399 168.067 93.665 110.526 74.5397 PRESSAVG: 3463600 -11.9686 51.8136 -11.7165 51.8136 5.64333 34.3994 -11.7165 34.3993 8.73826 GPRESSAVG: 3463600 -12.27 53.2338 -11.4903 49.891 5.24793 33.3653 -14.3611 35.6658 9.06892 TIMING: 3463600 CPU: 11010.9, 0.00314445/step Wall: 11010.9, 0.00314445/step, 1.34198 hours remaining, 241.906250 MB of memory in use. ENERGY: 3463600 3933.6462 20350.9589 14559.7754 262.3315 -203767.5227 2623.8128 0.0000 0.0000 52089.6709 -109947.3269 299.3601 -162036.9978 -109580.0349 298.8105 106.8143 127.8777 758362.1497 0.8043 0.6823 PRESSURE: 3463800 -22.2013 210.244 84.0279 210.243 -108.278 -44.1495 84.0275 -44.1493 95.3959 GPRESSURE: 3463800 -25.1651 225.161 -37.4022 232.704 -0.751492 37.4484 186.687 -122.744 97.593 PRESSAVG: 3463800 -10.2886 4.30213 23.2036 4.30206 28.216 -15.228 23.2035 -15.2279 3.89762 GPRESSAVG: 3463800 -10.8375 2.7591 21.4635 5.78859 29.178 -14.969 24.3593 -15.0354 4.10307 TIMING: 3463800 CPU: 11011.5, 0.00315647/step Wall: 11011.5, 0.00315647/step, 1.34693 hours remaining, 241.906250 MB of memory in use. ENERGY: 3463800 4011.9258 20342.8548 14502.0692 265.2553 -203598.3585 2557.3217 0.0000 0.0000 51914.0510 -110004.8807 298.3508 -161918.9317 -109643.6093 298.6388 -11.6944 23.8921 758404.8647 7.2750 7.4812 PRESSURE: 3464000 55.5472 130.347 -107.626 130.347 -0.998363 -151.177 -107.626 -151.176 379.519 GPRESSURE: 3464000 170.353 127.613 -79.4232 182.401 88.874 -196.598 -149.312 -162.248 269.089 PRESSAVG: 3464000 -19.306 59.0316 3.96007 59.0316 -11.2728 -59.5327 3.96012 -59.5327 13.294 GPRESSAVG: 3464000 -18.5387 59.3239 3.17354 59.9787 -11.9923 -58.5964 4.15916 -60.251 13.3229 TIMING: 3464000 CPU: 11012.1, 0.00318824/step Wall: 11012.1, 0.00318824/step, 1.36032 hours remaining, 241.906250 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: 3464000 4073.5076 20456.5879 14533.5686 247.1944 -203757.6582 2443.9646 0.0000 0.0000 51958.5926 -110044.2425 298.6067 -162002.8351 -109690.3016 298.2515 144.6894 176.1054 757071.8638 -5.7616 -5.7361 PRESSURE: 3464200 65.0973 109.019 -127.331 109.018 76.0967 55.0298 -127.332 55.03 203.459 GPRESSURE: 3464200 39.2276 135.876 -101.188 33.3619 171.547 -23.3874 17.054 172.629 237.456 PRESSAVG: 3464200 23.9694 58.8123 -37.4205 58.8123 -35.8698 -13.8015 -37.4205 -13.8016 4.51834 GPRESSAVG: 3464200 24.1652 58.0135 -34.9954 58.4633 -36.0702 -15.1547 -36.5165 -13.8421 5.20162 TIMING: 3464200 CPU: 11012.8, 0.00314475/step Wall: 11012.8, 0.00314474/step, 1.34158 hours remaining, 241.906250 MB of memory in use. ENERGY: 3464200 4029.2764 20541.4694 14440.7454 263.9774 -203265.3423 2310.3019 0.0000 0.0000 51751.0392 -109928.5326 297.4139 -161679.5718 -109576.3060 298.0716 114.8843 149.4100 759877.4631 -2.4607 -2.2345 LDB: ============= START OF LOAD BALANCING ============== 11025.2 LDB: ============== END OF LOAD BALANCING =============== 11025.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11025.2 LDB: ============= START OF LOAD BALANCING ============== 11025.5 LDB: Largest compute 7072 load 0.033262 is 17.0% of average load 0.195358 LDB: Average compute 0.004364 is 2.2% of average load 0.195358 LDB: TIME 11025.5 LOAD: AVG 0.195358 MAX 0.2183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.445 MB LDB: TIME 11025.5 LOAD: AVG 0.195358 MAX 0.2183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.645 MB LDB: TIME 11025.5 LOAD: AVG 0.195358 MAX 0.215724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.645 MB LDB: ============== END OF LOAD BALANCING =============== 11025.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11025.5 PRESSURE: 3464400 -12.6971 291.903 290.685 291.904 -81.3195 -149.302 290.686 -149.302 -344.336 GPRESSURE: 3464400 -9.75873 252.845 317.184 243.932 -1.50126 -131.871 324.055 -239.967 -363.799 PRESSAVG: 3464400 -43.3509 62.292 -56.0042 62.2919 16.0439 -77.1928 -56.0042 -77.1928 -1.65035 GPRESSAVG: 3464400 -44.6655 62.3458 -56.1606 59.7946 16.4283 -75.2482 -57.0834 -78.2595 -1.06574 TIMING: 3464400 CPU: 11013.4, 0.00320052/step Wall: 11013.4, 0.00320052/step, 1.3652 hours remaining, 241.050781 MB of memory in use. ENERGY: 3464400 4127.5053 20595.7187 14403.3022 245.9822 -203676.3641 2406.1926 0.0000 0.0000 51930.6358 -109967.0273 298.4461 -161897.6630 -109614.7513 298.7284 -146.1176 -125.0198 760417.3083 -9.6524 -9.7677 PRESSURE: 3464600 -273.342 6.93193 160.31 6.93305 -138.933 62.7174 160.31 62.7164 -280.846 GPRESSURE: 3464600 -243.682 28.9226 84.155 37.1883 -80.9347 31.7649 181.286 52.194 -279.325 PRESSAVG: 3464600 -26.1575 -52.8537 15.95 -52.8537 6.65672 -25.6612 15.95 -25.6612 -6.12017 GPRESSAVG: 3464600 -24.9052 -52.578 15.5727 -51.2144 6.61243 -26.2002 15.9664 -26.7235 -7.15604 TIMING: 3464600 CPU: 11014, 0.00313088/step Wall: 11014, 0.00313088/step, 1.33532 hours remaining, 241.253906 MB of memory in use. ENERGY: 3464600 3979.9033 20552.9935 14499.2721 240.6626 -203588.0272 2399.1005 0.0000 0.0000 51995.7356 -109920.3596 298.8202 -161916.0952 -109559.0101 299.1061 -231.0404 -201.3140 760077.5878 -8.5403 -8.4829 PRESSURE: 3464800 -197.38 -185.686 208.533 -185.686 -331.473 264.929 208.533 264.929 -100.484 GPRESSURE: 3464800 -55.7442 -107.707 257.645 -187.866 -364.702 220.357 43.143 233.334 -95.9487 PRESSAVG: 3464800 29.4078 21.0589 69.918 21.059 -16.1151 8.51586 69.918 8.51584 0.333235 GPRESSAVG: 3464800 29.7496 21.2424 69.9137 21.0825 -16.1617 7.82712 71.1454 9.02799 -0.0537452 TIMING: 3464800 CPU: 11014.7, 0.00316814/step Wall: 11014.7, 0.00316814/step, 1.35104 hours remaining, 241.253906 MB of memory in use. ENERGY: 3464800 4056.8492 20448.9130 14496.9347 247.8891 -203649.2045 2374.3192 0.0000 0.0000 52047.9998 -109976.2995 299.1206 -162024.2993 -109612.0375 298.7918 -209.7788 -172.1318 759874.0888 4.5420 4.5114 PRESSURE: 3465000 -103.345 -16.7756 106.576 -16.7764 -328.661 -299.357 106.575 -299.357 164.697 GPRESSURE: 3465000 -172.542 -132.429 142.999 -79.8831 -158.998 -299.645 91.7201 -233.356 156.584 PRESSAVG: 3465000 -9.48752 5.33498 -10.6728 5.33498 -24.0492 -0.869484 -10.6727 -0.869613 -3.575 GPRESSAVG: 3465000 -10.7783 4.22676 -11.0795 6.167 -23.3332 0.361451 -11.9078 -1.89737 -2.9912 TIMING: 3465000 CPU: 11015.3, 0.00315345/step Wall: 11015.3, 0.00315345/step, 1.34459 hours remaining, 241.253906 MB of memory in use. ENERGY: 3465000 3967.2121 20509.1841 14532.7749 274.5571 -204090.6121 2609.4096 0.0000 0.0000 52157.6148 -110039.8596 299.7505 -162197.4744 -109675.8015 298.8679 -89.1031 -58.3189 762033.2047 -12.3706 -12.3676 PRESSURE: 3465200 -371.994 118.465 -98.9923 118.465 -197.447 251.047 -98.9927 251.046 4.48244 GPRESSURE: 3465200 -360.356 65.5133 -153.092 71.2284 -193.705 285.607 -24.4548 132.648 59.7015 PRESSAVG: 3465200 3.64386 27.139 29.4686 27.139 22.1044 -14.6995 29.4686 -14.6995 0.0311835 GPRESSAVG: 3465200 4.55886 28.5335 30.1087 26.2595 20.9813 -15.4392 28.6418 -14.1475 -0.0537955 TIMING: 3465200 CPU: 11015.9, 0.00316364/step Wall: 11015.9, 0.00316364/step, 1.34876 hours remaining, 241.253906 MB of memory in use. ENERGY: 3465200 3956.6340 20617.8288 14489.8581 249.1316 -203792.2714 2409.7545 0.0000 0.0000 51940.8076 -110128.2569 298.5045 -162069.0645 -109764.1834 298.7366 -188.3194 -164.7864 759050.2597 8.5931 8.4955 PRESSURE: 3465400 -160.938 88.9825 -227.284 88.9824 -398.919 83.7133 -227.282 83.7124 335.078 GPRESSURE: 3465400 -86.926 142.575 -134.784 -9.88653 -335.851 130.957 -221.148 3.72857 288.229 PRESSAVG: 3465400 107.566 -32.3982 -6.21416 -32.3982 -40.6643 2.73356 -6.21416 2.73353 -22.2584 GPRESSAVG: 3465400 107.049 -33.3491 -7.41491 -31.9251 -40.0928 2.33162 -3.45895 2.261 -22.0177 TIMING: 3465400 CPU: 11016.6, 0.00314175/step Wall: 11016.6, 0.00314175/step, 1.33926 hours remaining, 241.253906 MB of memory in use. ENERGY: 3465400 3967.4502 20527.0265 14418.0412 241.4806 -204016.7973 2636.8345 0.0000 0.0000 52285.3449 -109940.6192 300.4846 -162225.9641 -109582.0630 298.8568 -74.9267 -44.8494 758710.8728 14.8811 14.9794 PRESSURE: 3465600 174.496 3.69554 -68.2556 3.69524 147.602 90.6742 -68.2544 90.6747 -9.53642 GPRESSURE: 3465600 150.972 -8.58359 -39.1157 103.626 240.458 34.9501 -78.1546 85.9105 -14.2168 PRESSAVG: 3465600 -41.9725 -0.958566 -0.834124 -0.958584 5.77634 -26.3168 -0.834075 -26.3167 12.3342 GPRESSAVG: 3465600 -42.5505 -1.37072 0.724094 -2.29487 6.55714 -28.4725 -0.683197 -22.4955 11.964 TIMING: 3465600 CPU: 11017.2, 0.00313651/step Wall: 11017.2, 0.00313651/step, 1.33685 hours remaining, 241.253906 MB of memory in use. ENERGY: 3465600 3873.2612 20576.8731 14367.3394 225.1110 -203628.4440 2500.3773 0.0000 0.0000 52177.5018 -109907.9803 299.8648 -162085.4820 -109535.2235 299.2024 104.1872 125.7380 760848.7271 -7.9540 -8.0098 PRESSURE: 3465800 -316.681 181.883 -250.471 181.883 -360.041 -237.028 -250.473 -237.028 -128.272 GPRESSURE: 3465800 -274.418 105.656 -181.355 252.159 -329.521 -181.352 -109.727 -98.7999 -121.17 PRESSAVG: 3465800 -13.2296 18.8247 -17.5907 18.8248 -13.3001 -26.4285 -17.5907 -26.4284 3.46942 GPRESSAVG: 3465800 -12.9429 19.1036 -16.372 21.549 -13.0619 -24.3788 -19.8232 -27.503 3.35977 TIMING: 3465800 CPU: 11017.8, 0.00314435/step Wall: 11017.8, 0.00314435/step, 1.34002 hours remaining, 241.253906 MB of memory in use. ENERGY: 3465800 3947.4368 20666.2114 14383.3715 264.6881 -202984.8266 2061.8100 0.0000 0.0000 51765.9461 -109895.3627 297.4996 -161661.3088 -109534.7915 298.9601 -268.3313 -241.7032 760692.9545 -7.6867 -7.5483 PRESSURE: 3466000 103.126 195.788 68.2788 195.788 201.396 165.014 68.2779 165.014 218.743 GPRESSURE: 3466000 164.978 222.696 155.19 134.732 251.339 174.018 -65.9382 93.5299 205.617 PRESSAVG: 3466000 -16.8457 -14.4838 11.3283 -14.4838 -19.9194 -14.2156 11.3283 -14.2156 -37.1985 GPRESSAVG: 3466000 -15.7699 -14.2999 9.69941 -18.3351 -18.9304 -14.5883 13.2952 -14.5759 -38.3932 TIMING: 3466000 CPU: 11018.5, 0.00314205/step Wall: 11018.5, 0.00314205/step, 1.33886 hours remaining, 241.253906 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: 3466000 3906.8398 20416.0301 14430.3207 251.1695 -203453.7047 2468.2614 0.0000 0.0000 52017.2430 -109963.8401 298.9438 -161981.0831 -109600.4347 298.4316 174.4217 207.3113 759169.4750 -24.6545 -24.3645 PRESSURE: 3466200 163.37 -82.8728 -126.517 -82.8725 50.0434 114.839 -126.517 114.841 -159.822 GPRESSURE: 3466200 191.052 -70.4669 -71.9341 -141.834 63.9527 124.381 -74.1131 111.359 -111.062 PRESSAVG: 3466200 43.7763 -4.12603 -4.8236 -4.12597 -32.5078 -18.334 -4.8236 -18.334 8.74771 GPRESSAVG: 3466200 42.1304 -4.91865 -5.645 -1.79095 -33.6353 -18.0674 -6.56713 -16.5307 10.2352 TIMING: 3466200 CPU: 11019.1, 0.00314938/step Wall: 11019.1, 0.00314938/step, 1.34181 hours remaining, 241.253906 MB of memory in use. ENERGY: 3466200 3940.4367 20412.6114 14463.9172 240.8409 -203185.0213 2289.6959 0.0000 0.0000 51951.5649 -109885.9542 298.5664 -161837.5192 -109522.9802 298.3752 17.8639 47.9809 759579.9872 6.6720 6.2434 PRESSURE: 3466400 104.116 -49.6091 73.3351 -49.6085 318.664 258.554 73.3349 258.554 -57.2518 GPRESSURE: 3466400 156.29 -101.114 -20.1253 -83.7903 305.225 155.67 10.531 218.633 -6.01237 PRESSAVG: 3466400 6.92795 -7.15638 8.03516 -7.15632 10.3175 91.4101 8.03517 91.4102 28.1348 GPRESSAVG: 3466400 6.87095 -7.22474 7.88813 -7.50347 11.2764 90.8842 8.46259 91.4646 27.212 TIMING: 3466400 CPU: 11019.7, 0.00315681/step Wall: 11019.7, 0.00315681/step, 1.3448 hours remaining, 241.253906 MB of memory in use. ENERGY: 3466400 3973.1472 20545.7644 14459.7123 248.8078 -203620.9194 2797.6625 0.0000 0.0000 51936.7483 -109659.0769 298.4812 -161595.8252 -109307.5654 298.6028 121.8427 151.8343 760891.9054 15.1268 15.1198 PRESSURE: 3466600 56.3348 154.379 -134.387 154.379 465.933 -71.3644 -134.387 -71.3651 -70.0393 GPRESSURE: 3466600 252.087 127.194 -80.815 74.7489 350.009 -98.0299 -7.6319 28.0807 -69.2014 PRESSAVG: 3466600 11.7064 -0.836287 17.0795 -0.836238 3.96194 -10.9433 17.0795 -10.9434 -15.5429 GPRESSAVG: 3466600 13.6868 0.373325 19.4484 -1.27744 1.7796 -11.738 16.5769 -12.9493 -15.1775 TIMING: 3466600 CPU: 11020.3, 0.00316805/step Wall: 11020.3, 0.00316805/step, 1.34941 hours remaining, 241.253906 MB of memory in use. ENERGY: 3466600 4012.6801 20475.5487 14513.9092 236.5790 -203263.7648 2685.3484 0.0000 0.0000 51711.4869 -109628.2127 297.1866 -161339.6995 -109273.2377 298.5208 150.7428 177.6315 760379.8885 0.0418 0.0963 PRESSURE: 3466800 38.4812 -42.5509 -80.985 -42.5514 -197.015 -140.603 -80.9842 -140.604 -17.1513 GPRESSURE: 3466800 -12.5412 9.42341 -123.9 -40.1817 -163.183 -169.919 67.7833 -187.476 99.097 PRESSAVG: 3466800 46.6633 31.9084 -17.6747 31.9083 -55.0472 -23.9293 -17.6747 -23.9293 0.000506949 GPRESSAVG: 3466800 46.3132 31.8979 -18.9249 31.9653 -55.0099 -21.6195 -17.0867 -23.1908 0.19333 TIMING: 3466800 CPU: 11021, 0.0031443/step Wall: 11021, 0.0031443/step, 1.33912 hours remaining, 241.253906 MB of memory in use. ENERGY: 3466800 3942.5796 20537.3050 14410.0621 262.7021 -203787.1406 2777.5963 0.0000 0.0000 52051.5351 -109805.3603 299.1409 -161856.8954 -109440.6291 298.6910 -58.5618 -25.5425 762182.2755 -2.7945 -2.8345 PRESSURE: 3467000 397.619 17.5724 90.4253 17.5713 153.521 39.3059 90.4255 39.3064 -198.802 GPRESSURE: 3467000 476.929 -24.2656 45.2648 -49.8916 178.972 120.446 112.418 19.3272 -241.698 PRESSAVG: 3467000 63.4439 0.242902 -27.321 0.242965 -54.1749 -1.25914 -27.321 -1.25922 20.363 GPRESSAVG: 3467000 63.6018 -1.828 -27.6759 1.04631 -53.5378 -2.74232 -26.5385 -1.86191 19.5681 TIMING: 3467000 CPU: 11021.6, 0.00315623/step Wall: 11021.6, 0.00315623/step, 1.34403 hours remaining, 241.253906 MB of memory in use. ENERGY: 3467000 3996.4026 20423.7991 14491.0119 239.0086 -203697.1731 2728.7746 0.0000 0.0000 52251.1064 -109567.0700 300.2878 -161818.1763 -109200.8997 298.6958 117.4460 138.0673 761679.1509 9.8773 9.8774 PRESSURE: 3467200 -125.358 94.3295 155.069 94.3293 114.648 -19.9637 155.068 -19.9639 -163.906 GPRESSURE: 3467200 -99.995 77.2846 143.73 -21.9427 165.622 -1.19592 199.363 -10.7641 -151.937 PRESSAVG: 3467200 -11.7954 6.52304 -14.4055 6.52302 -36.7891 30.843 -14.4055 30.8428 -10.1421 GPRESSAVG: 3467200 -12.1843 7.69349 -14.0238 4.60564 -36.2336 32.2132 -14.5997 30.5519 -10.4415 TIMING: 3467200 CPU: 11022.2, 0.00315978/step Wall: 11022.2, 0.00315978/step, 1.34536 hours remaining, 241.253906 MB of memory in use. ENERGY: 3467200 4021.9449 20581.0844 14427.0635 258.1230 -203703.5030 2813.7316 0.0000 0.0000 52151.1444 -109450.4112 299.7133 -161601.5556 -109087.5371 299.3364 -58.2056 -28.7700 762407.4947 -19.5756 -19.6198 PRESSURE: 3467400 -320.823 -144.211 -112.392 -144.21 365.514 34.3346 -112.393 34.335 239.604 GPRESSURE: 3467400 -227.952 -87.2687 -107.05 -50.3172 333.712 -30.1422 -297.4 44.7629 255.874 PRESSAVG: 3467400 -7.5736 -16.558 11.0567 -16.558 -0.278289 14.5182 11.0566 14.5182 -12.2049 GPRESSAVG: 3467400 -7.80813 -18.2193 8.65931 -14.591 -1.24357 13.4717 13.3714 16.5006 -11.3462 TIMING: 3467400 CPU: 11022.9, 0.00316034/step Wall: 11022.9, 0.00316034/step, 1.34543 hours remaining, 241.253906 MB of memory in use. ENERGY: 3467400 3937.9750 20607.9026 14433.9783 261.0071 -203757.6190 2697.4425 0.0000 0.0000 52196.8688 -109622.4446 299.9761 -161819.3134 -109248.4643 299.7532 94.7649 120.5447 761679.8405 -6.6856 -6.7993 PRESSURE: 3467600 -114.703 -7.24221 8.59571 -7.24225 174.914 262.916 8.59628 262.917 213.557 GPRESSURE: 3467600 -101.194 -3.59099 38.8895 -42.9962 245.515 290.287 100.114 197.015 210.34 PRESSAVG: 3467600 14.461 43.6473 58.0282 43.6472 1.1131 -19.1902 58.0282 -19.1902 24.0921 GPRESSAVG: 3467600 14.933 41.9446 60.8348 42.8572 0.894678 -19.1908 55.3759 -20.5925 23.4134 TIMING: 3467600 CPU: 11023.5, 0.00314086/step Wall: 11023.5, 0.00314086/step, 1.33696 hours remaining, 241.253906 MB of memory in use. ENERGY: 3467600 3935.6023 20622.5482 14418.6177 230.9867 -204076.8554 2874.9845 0.0000 0.0000 52364.3970 -109629.7191 300.9389 -161994.1161 -109266.5178 299.6630 91.2560 118.2203 760415.9704 13.2221 13.0804 PRESSURE: 3467800 -28.6315 -29.5817 58.8781 -29.5822 119.1 136.583 58.8785 136.583 -6.9644 GPRESSURE: 3467800 -71.5545 11.7202 -75.0106 -35.6876 217.642 87.3666 47.4464 50.1935 20.9603 PRESSAVG: 3467800 32.0757 -45.566 38.7839 -45.5659 -3.48127 -2.43805 38.7839 -2.43808 -9.20071 GPRESSAVG: 3467800 31.8047 -41.2884 38.2844 -45.7504 -4.45385 -0.929487 39.8599 -3.05695 -7.77063 TIMING: 3467800 CPU: 11024.1, 0.00315149/step Wall: 11024.1, 0.00315149/step, 1.34131 hours remaining, 241.253906 MB of memory in use. ENERGY: 3467800 4035.3045 20748.8083 14530.9554 250.2157 -203750.9827 2550.8754 0.0000 0.0000 51884.8782 -109749.9452 298.1831 -161634.8235 -109388.3099 299.3790 27.8347 55.6827 761071.8940 6.4646 6.5267 PRESSURE: 3468000 110.576 -39.162 -5.5305 -39.1626 230.402 -161.388 -5.53107 -161.387 494.021 GPRESSURE: 3468000 140.46 -67.0665 -24.0137 1.59761 216.987 -198.35 29.2442 -137.61 557.752 PRESSAVG: 3468000 -65.0956 -34.986 9.27172 -34.986 85.1538 -7.4123 9.27177 -7.4122 16.2857 GPRESSAVG: 3468000 -64.3394 -38.6227 9.95305 -33.399 86.3209 -8.72628 8.48329 -6.08858 14.9761 TIMING: 3468000 CPU: 11024.8, 0.00314793/step Wall: 11024.8, 0.00314793/step, 1.33962 hours remaining, 241.253906 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: 3468000 3876.1836 20679.1722 14442.8121 244.5031 -203730.2891 2795.2040 0.0000 0.0000 52196.4374 -109495.9768 299.9736 -161692.4142 -109129.5434 299.4275 278.3330 305.0662 761469.1082 12.1146 12.3192 PRESSURE: 3468200 112.348 56.7667 -32.0505 56.7673 180.246 26.8716 -32.0508 26.8712 -54.911 GPRESSURE: 3468200 111.143 130.389 -64.3452 -34.6473 244.105 65.4019 45.4676 -43.7745 -38.8099 PRESSAVG: 3468200 -9.88993 -11.9155 -31.6115 -11.9155 -2.25894 -0.416388 -31.6116 -0.416405 3.22332 GPRESSAVG: 3468200 -10.3806 -7.79643 -32.3687 -15.3273 -3.10458 0.498579 -31.9485 -0.995312 4.59841 TIMING: 3468200 CPU: 11025.4, 0.0031503/step Wall: 11025.4, 0.0031503/step, 1.34045 hours remaining, 241.253906 MB of memory in use. ENERGY: 3468200 4041.6691 20618.8367 14483.2197 253.0345 -203642.8935 2626.3173 0.0000 0.0000 52103.6821 -109516.1341 299.4406 -161619.8162 -109150.1539 299.8822 79.2278 105.4794 760266.8799 -2.9752 -2.9623 LDB: ============= START OF LOAD BALANCING ============== 11037.8 LDB: ============== END OF LOAD BALANCING =============== 11037.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11037.8 LDB: ============= START OF LOAD BALANCING ============== 11038.2 LDB: Largest compute 7072 load 0.036376 is 18.6% of average load 0.195417 LDB: Average compute 0.004376 is 2.2% of average load 0.195417 LDB: TIME 11038.2 LOAD: AVG 0.195417 MAX 0.217367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.469 MB LDB: TIME 11038.2 LOAD: AVG 0.195417 MAX 0.217367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.539 MB LDB: TIME 11038.2 LOAD: AVG 0.195417 MAX 0.217367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.539 MB LDB: ============== END OF LOAD BALANCING =============== 11038.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11038.2 PRESSURE: 3468400 0.00841445 13.9995 247.494 14 -153.635 -84.5688 247.495 -84.5675 -367.665 GPRESSURE: 3468400 20.6536 52.7831 220.36 -38.4178 -69.6458 10.6132 126.538 -87.6835 -376.174 PRESSAVG: 3468400 -48.5551 -31.7832 9.84561 -31.7833 62.2275 -20.658 9.84558 -20.658 -26.5231 GPRESSAVG: 3468400 -47.8129 -32.385 9.29659 -29.0038 62.3692 -20.4018 10.5861 -20.5909 -27.6367 TIMING: 3468400 CPU: 11026, 0.00322862/step Wall: 11026, 0.00322862/step, 1.3736 hours remaining, 240.593750 MB of memory in use. ENERGY: 3468400 3949.0271 20602.7789 14531.0493 255.1275 -203680.4492 2646.0693 0.0000 0.0000 52155.0529 -109541.3443 299.7358 -161696.3971 -109188.1477 299.4107 -173.7640 -141.7221 761904.9665 -4.2836 -4.3601 PRESSURE: 3468600 -212.011 -13.8796 198.599 -13.8781 124.71 -100.815 198.599 -100.815 172.148 GPRESSURE: 3468600 -124.801 -35.2683 119.415 66.7126 48.6016 -190.184 287.015 -52.1851 258.66 PRESSAVG: 3468600 8.50783 -12.3587 10.4298 -12.3587 0.575897 -46.4841 10.4297 -46.4841 6.02891 GPRESSAVG: 3468600 6.05744 -15.0088 11.6689 -12.8941 2.92777 -46.0236 10.9246 -46.2399 6.08221 TIMING: 3468600 CPU: 11026.7, 0.00317665/step Wall: 11026.7, 0.00317665/step, 1.35131 hours remaining, 240.660156 MB of memory in use. ENERGY: 3468600 3945.9693 20476.4621 14545.4054 251.4611 -203154.5311 2474.3391 0.0000 0.0000 51892.7972 -109568.0970 298.2286 -161460.8942 -109218.3187 299.1093 28.2823 60.8201 761692.1778 5.0375 5.0225 PRESSURE: 3468800 -73.8796 -109.807 -167.679 -109.808 -150.896 -11.6896 -167.679 -11.6893 44.9386 GPRESSURE: 3468800 -64.0511 -119.064 -252.728 -197.195 -124.019 49.7435 -36.1097 32.1454 88.8353 PRESSAVG: 3468800 -43.812 -31.1442 26.4091 -31.1442 42.1072 -30.2804 26.4091 -30.2805 13.6275 GPRESSAVG: 3468800 -43.0066 -28.5581 24.0151 -34.3693 40.6801 -30.8918 28.4607 -30.2507 14.1013 TIMING: 3468800 CPU: 11027.3, 0.00316669/step Wall: 11027.3, 0.00316669/step, 1.3469 hours remaining, 240.660156 MB of memory in use. ENERGY: 3468800 4000.3130 20679.5256 14547.2144 233.7199 -203795.1592 2652.9710 0.0000 0.0000 52115.3184 -109566.0968 299.5075 -161681.4152 -109208.0174 299.3582 -59.9456 -33.0783 759952.8475 3.9742 3.9249 PRESSURE: 3469000 27.2025 13.2571 -268.229 13.2575 156.651 -106.028 -268.229 -106.029 130.187 GPRESSURE: 3469000 164.866 133.383 -236.827 42.9621 143.83 -110.294 -292.456 -50.7763 100.068 PRESSAVG: 3469000 -36.2578 -36.2279 20.7193 -36.2279 38.805 -30.4902 20.7193 -30.4903 -21.8455 GPRESSAVG: 3469000 -33.9291 -35.7083 23.1965 -33.8733 37.9368 -32.0724 18.3188 -28.3148 -22.5102 TIMING: 3469000 CPU: 11027.9, 0.00315667/step Wall: 11027.9, 0.00315667/step, 1.34246 hours remaining, 240.660156 MB of memory in use. ENERGY: 3469000 4011.3588 20479.8521 14498.0783 273.6061 -203274.3834 2505.2458 0.0000 0.0000 51843.6605 -109662.5818 297.9462 -161506.2422 -109305.6062 299.6857 104.6802 136.2546 760438.7770 -6.4328 -6.1675 PRESSURE: 3469200 131.821 -17.6589 -62.6966 -17.6596 -260.549 11.7926 -62.6961 11.7927 59.1747 GPRESSURE: 3469200 147.861 -160.787 34.5032 64.1745 -273.316 -19.3522 20.0666 -59.6672 111.451 PRESSAVG: 3469200 35.5977 -21.0484 -69.9984 -21.0484 18.0927 -84.1268 -69.9984 -84.1268 -3.04019 GPRESSAVG: 3469200 33.7361 -23.8087 -68.5542 -20.5868 18.5527 -83.4857 -71.6106 -85.3356 -1.88118 TIMING: 3469200 CPU: 11028.6, 0.00315609/step Wall: 11028.6, 0.00315609/step, 1.34204 hours remaining, 240.660156 MB of memory in use. ENERGY: 3469200 3999.7976 20721.3102 14430.2047 224.1229 -203899.3029 2658.3519 0.0000 0.0000 52069.1362 -109796.3793 299.2420 -161865.5155 -109434.1919 298.9307 -23.1844 -4.6682 760974.6283 16.8834 16.8025 PRESSURE: 3469400 -156.219 115.205 85.663 115.205 -49.7901 184.192 85.6628 184.193 62.572 GPRESSURE: 3469400 -45.8673 125.746 45.0932 48.2982 -67.4538 164.337 132.355 13.9489 57.9695 PRESSAVG: 3469400 -3.16574 11.7947 -10.1577 11.7946 -12.8839 -31.9981 -10.1577 -31.9981 14.4805 GPRESSAVG: 3469400 -1.16379 13.1083 -11.5046 10.8626 -13.262 -33.1881 -7.59738 -32.0076 12.9546 TIMING: 3469400 CPU: 11029.2, 0.00312638/step Wall: 11029.2, 0.00312638/step, 1.32923 hours remaining, 240.660156 MB of memory in use. ENERGY: 3469400 3980.7449 20563.4053 14430.8602 220.0903 -203559.5905 2445.9476 0.0000 0.0000 52080.3893 -109838.1529 299.3067 -161918.5422 -109466.1695 299.2676 -47.8122 -18.4505 760122.4452 -0.5231 -0.4904 PRESSURE: 3469600 139.586 -167.007 163.538 -167.006 -320.179 -31.2287 163.538 -31.2274 -51.4305 GPRESSURE: 3469600 6.68137 -186.836 212.863 -149.83 -168.425 53.0014 141.408 -114.014 14.6692 PRESSAVG: 3469600 44.7058 -41.8465 66.9845 -41.8466 -73.5392 -15.1893 66.9845 -15.1893 24.8939 GPRESSAVG: 3469600 42.9725 -40.9149 66.8494 -41.5379 -72.8928 -14.584 63.6945 -16.2436 25.7894 TIMING: 3469600 CPU: 11029.8, 0.00314692/step Wall: 11029.8, 0.00314692/step, 1.33779 hours remaining, 240.660156 MB of memory in use. ENERGY: 3469600 4097.2281 20470.6510 14497.1678 266.7524 -203638.0997 2671.9877 0.0000 0.0000 51798.3667 -109835.9460 297.6859 -161634.3127 -109481.6628 298.7494 -77.3411 -49.0250 760979.3919 -1.3132 -1.3770 PRESSURE: 3469800 246.216 95.8255 81.3777 95.8241 21.1817 -18.6275 81.3778 -18.6276 -458.488 GPRESSURE: 3469800 216.156 66.0716 109.286 84.9752 85.7033 8.58548 158.006 29.1106 -399.186 PRESSAVG: 3469800 70.5816 -17.4805 28.7812 -17.4805 -58.7056 -17.1097 28.7812 -17.1096 -4.62901 GPRESSAVG: 3469800 70.6574 -19.6373 26.7146 -16.9811 -58.3433 -17.1091 31.8112 -16.3768 -5.12585 TIMING: 3469800 CPU: 11030.4, 0.00313943/step Wall: 11030.4, 0.00313943/step, 1.33443 hours remaining, 240.660156 MB of memory in use. ENERGY: 3469800 4020.7398 20478.4799 14462.9100 235.4148 -204230.3875 2971.8697 0.0000 0.0000 52092.9214 -109968.0520 299.3787 -162060.9734 -109599.0316 298.4803 -63.6967 -32.4424 760490.5729 2.4157 2.3961 PRESSURE: 3470000 -100.099 -91.3847 -64.0971 -91.3843 -291.707 213.415 -64.0963 213.414 152.745 GPRESSURE: 3470000 -77.491 -156.922 -104.673 19.8817 -201.643 232.25 -109.009 226.539 118.946 PRESSAVG: 3470000 -7.26422 -23.8053 22.737 -23.8052 -0.197145 -18.9518 22.737 -18.9518 -5.83015 GPRESSAVG: 3470000 -6.89808 -24.4563 21.696 -22.526 -0.698604 -16.62 22.6634 -18.4988 -5.6879 TIMING: 3470000 CPU: 11031.1, 0.00314626/step Wall: 11031.1, 0.00314626/step, 1.33716 hours remaining, 240.660156 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: 3470000 3989.4077 20481.8921 14560.3864 260.1534 -203700.4569 2575.3175 0.0000 0.0000 51974.4784 -109858.8214 298.6980 -161833.2998 -109486.1432 298.5398 -79.6867 -53.3957 761048.5969 -4.4305 -4.4282 PRESSURE: 3470200 65.3965 149.263 -33.0801 149.264 148.651 89.4163 -33.0807 89.4169 33.0506 GPRESSURE: 3470200 92.476 170.651 -59.5308 182.759 217.379 89.3214 -10.1771 -108.161 17.254 PRESSAVG: 3470200 -20.7549 -40.8244 -42.0725 -40.8245 47.0697 -15.1489 -42.0725 -15.1488 26.3549 GPRESSAVG: 3470200 -20.9339 -39.8356 -40.1196 -42.2967 46.9562 -16.8452 -42.8454 -16.3951 27.0318 TIMING: 3470200 CPU: 11031.7, 0.0031534/step Wall: 11031.7, 0.0031534/step, 1.34002 hours remaining, 240.660156 MB of memory in use. ENERGY: 3470200 4054.6144 20527.6874 14411.2467 263.3904 -203113.7897 2520.1895 0.0000 0.0000 51603.2318 -109733.4294 296.5645 -161336.6613 -109379.2933 299.3767 82.3662 109.0363 760772.9163 17.5566 17.6847 PRESSURE: 3470400 171.724 -239.893 -53.8287 -239.893 -50.789 91.0172 -53.8294 91.0174 174.473 GPRESSURE: 3470400 227.574 -135.389 -72.457 -394.208 57.7132 61.3796 -12.0484 11.4808 94.3408 PRESSAVG: 3470400 6.77533 -64.0328 0.968802 -64.0329 -10.5314 10.1826 0.968745 10.1827 24.9786 GPRESSAVG: 3470400 6.02563 -62.6574 1.13181 -64.9611 -8.72263 10.0643 0.688083 10.4174 24.0235 TIMING: 3470400 CPU: 11032.3, 0.00313159/step Wall: 11032.3, 0.00313159/step, 1.33058 hours remaining, 240.660156 MB of memory in use. ENERGY: 3470400 3962.5609 20532.8682 14411.6156 232.3782 -203862.4708 2776.1300 0.0000 0.0000 52108.6727 -109838.2453 299.4693 -161946.9179 -109472.3322 298.8708 98.4695 126.5426 759455.2260 7.0742 7.1088 PRESSURE: 3470600 82.2996 61.2487 -101.671 61.2485 -526.208 29.1442 -101.671 29.1446 4.07277 GPRESSURE: 3470600 129.478 -25.8324 -91.7884 55.7227 -442.001 22.2525 -56.1415 39.4033 -21.7887 PRESSAVG: 3470600 -12.3725 -40.7426 31.0129 -40.7426 26.4273 49.8105 31.0129 49.8105 -2.92184 GPRESSAVG: 3470600 -11.1502 -41.0327 31.185 -39.8092 25.3955 49.3499 30.3928 50.5444 -2.64683 TIMING: 3470600 CPU: 11033, 0.00313615/step Wall: 11033, 0.00313615/step, 1.33234 hours remaining, 240.660156 MB of memory in use. ENERGY: 3470600 3994.5442 20627.7558 14434.2472 253.8265 -203539.0227 2310.4741 0.0000 0.0000 51850.9567 -110067.2182 297.9882 -161918.1749 -109701.5543 298.6332 -146.6119 -111.4374 760324.2202 3.7110 3.8662 PRESSURE: 3470800 46.5654 -301.311 241.84 -301.311 40.9842 110.358 241.84 110.358 130.168 GPRESSURE: 3470800 -17.2119 -204.565 268.517 -350.681 155.296 155.682 215.01 46.6641 161.523 PRESSAVG: 3470800 -3.66995 -58.1713 -15.9494 -58.1713 -3.49507 23.1489 -15.9494 23.149 -19.6757 GPRESSAVG: 3470800 -4.27089 -55.3186 -16.383 -58.2719 -3.00037 23.4252 -16.3752 20.8548 -19.5953 TIMING: 3470800 CPU: 11033.6, 0.00315063/step Wall: 11033.6, 0.00315063/step, 1.33832 hours remaining, 240.660156 MB of memory in use. ENERGY: 3470800 3927.7286 20558.1220 14472.5911 253.7233 -203698.8052 2465.3993 0.0000 0.0000 51942.2876 -110078.9533 298.5130 -162021.2409 -109719.6914 298.6541 72.5726 99.8690 759437.0203 -8.9469 -8.9555 PRESSURE: 3471000 434.31 51.247 122.977 51.2469 221.509 -84.1113 122.977 -84.1111 452.189 GPRESSURE: 3471000 353.64 -7.80435 207.42 172.5 292.623 -78.6575 -46.2093 -92.5725 547.381 PRESSAVG: 3471000 46.2386 14.55 47.7469 14.55 -21.9012 9.3509 47.7469 9.35096 -1.65956 GPRESSAVG: 3471000 45.8943 12.3221 48.5964 13.0752 -22.5151 11.0414 46.1787 11.9854 -1.25586 TIMING: 3471000 CPU: 11034.2, 0.00317375/step Wall: 11034.2, 0.00317375/step, 1.34796 hours remaining, 240.660156 MB of memory in use. ENERGY: 3471000 4011.9659 20408.6717 14513.0681 270.5008 -203755.4305 2635.7397 0.0000 0.0000 51807.1601 -110108.3241 297.7365 -161915.4843 -109748.0469 298.4430 369.3361 397.8811 759583.3168 7.5593 7.3745 PRESSURE: 3471200 128.677 34.7317 115.75 34.7326 69.7172 -13.3795 115.75 -13.379 243.441 GPRESSURE: 3471200 170.797 22.4711 77.3331 17.3453 82.5315 66.0665 141.455 30.3961 284.477 PRESSAVG: 3471200 -29.4079 -49.5441 25.256 -49.5441 -13.8991 -23.1034 25.2559 -23.1034 -3.85064 GPRESSAVG: 3471200 -28.3255 -47.873 25.2332 -49.2987 -14.3129 -25.9648 28.2378 -24.7062 -4.20112 TIMING: 3471200 CPU: 11034.9, 0.00316553/step Wall: 11034.9, 0.00316553/step, 1.34429 hours remaining, 240.660156 MB of memory in use. ENERGY: 3471200 3950.5124 20505.6746 14391.2809 265.1942 -203653.4315 2561.0639 0.0000 0.0000 51888.7308 -110090.9748 298.2052 -161979.7057 -109730.9486 298.3261 147.2783 179.2682 760850.7292 -15.7192 -15.6132 PRESSURE: 3471400 -68.3215 187.894 -95.7222 187.894 23.2631 18.2303 -95.7235 18.2296 -139.137 GPRESSURE: 3471400 -66.842 64.7386 -72.2566 221.186 61.4567 -16.1753 -147.897 33.0429 -90.5351 PRESSAVG: 3471400 -41.8464 9.52031 68.195 9.52027 43.5174 65.1462 68.195 65.1461 -18.8488 GPRESSAVG: 3471400 -42.2527 7.84027 67.3591 9.34599 44.3746 67.9949 68.7305 65.4989 -19.2334 TIMING: 3471400 CPU: 11035.5, 0.00316186/step Wall: 11035.5, 0.00316186/step, 1.34256 hours remaining, 240.660156 MB of memory in use. ENERGY: 3471400 3992.5438 20517.0956 14440.8794 253.2007 -203629.2828 2463.1778 0.0000 0.0000 52200.8168 -109761.5687 299.9988 -161962.3856 -109403.0112 298.6895 -61.3983 -31.9735 761874.8247 -5.7260 -5.7038 PRESSURE: 3471600 364.877 22.6075 -125.036 22.6065 510.946 24.5352 -125.037 24.5352 132.042 GPRESSURE: 3471600 373.338 -6.75047 -144.826 43.9598 488.56 4.33654 -101.996 -60.7412 242.47 PRESSAVG: 3471600 -12.0777 7.04901 -27.883 7.04907 -3.33489 14.8838 -27.883 14.8838 -1.65061 GPRESSAVG: 3471600 -12.8718 6.40159 -28.1606 7.13242 -3.64592 12.9147 -30.899 17.2097 -1.24594 TIMING: 3471600 CPU: 11036.1, 0.0031778/step Wall: 11036.1, 0.0031778/step, 1.34915 hours remaining, 240.660156 MB of memory in use. ENERGY: 3471600 3868.0192 20343.5143 14491.6927 254.0902 -203538.1463 2635.9845 0.0000 0.0000 52251.3263 -109693.5191 300.2891 -161944.8454 -109327.0390 299.0758 335.9551 368.1224 761352.9669 -5.6877 -5.9212 PRESSURE: 3471800 272.183 -189.141 124.346 -189.141 -229.609 -13.4278 124.347 -13.428 81.1293 GPRESSURE: 3471800 291.95 -143.101 92.3971 -161.576 -175.581 -57.2155 267.147 26.2742 93.0928 PRESSAVG: 3471800 4.58635 49 -13.3692 49 -15.3613 -5.01944 -13.3691 -5.01943 17.1065 GPRESSAVG: 3471800 5.64261 49.0609 -13.8221 52.4014 -15.6064 -5.75265 -11.0887 -5.49104 16.2977 TIMING: 3471800 CPU: 11036.8, 0.00318677/step Wall: 11036.8, 0.00318677/step, 1.35278 hours remaining, 240.660156 MB of memory in use. ENERGY: 3471800 3977.3136 20530.6005 14342.7569 255.3167 -203438.7833 2576.9699 0.0000 0.0000 51985.1926 -109770.6332 298.7596 -161755.8257 -109421.0782 299.0397 41.2345 69.8206 761498.5192 2.1105 2.1113 PRESSURE: 3472000 -118.187 -30.2291 17.163 -30.2291 -78.4682 -29.4798 17.1628 -29.479 86.1623 GPRESSURE: 3472000 -82.0315 -80.0817 -40.2485 -4.76466 -126.194 -61.0317 107.141 -76.6798 168.776 PRESSAVG: 3472000 31.3743 -25.3425 11.7956 -25.3426 -33.8413 -1.75041 11.7956 -1.7504 -17.1684 GPRESSAVG: 3472000 29.8731 -24.8643 12.5953 -28.3604 -34.8151 -1.28304 12.6726 -2.3938 -14.8715 TIMING: 3472000 CPU: 11037.4, 0.00316564/step Wall: 11037.4, 0.00316564/step, 1.34364 hours remaining, 240.660156 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: 3472000 4007.9318 20665.4208 14390.0998 232.9251 -203357.7500 2498.1353 0.0000 0.0000 51827.8359 -109735.4013 297.8553 -161563.2372 -109372.5386 299.0610 -36.8308 -13.1498 762769.1588 -6.5451 -6.6045 PRESSURE: 3472200 -159.459 -46.3678 -34.3637 -46.3677 -348.562 27.3081 -34.3639 27.3081 -289.242 GPRESSURE: 3472200 -109.083 -10.0223 -94.3595 -14.5978 -377.786 108.826 -120.552 52.0348 -228.861 PRESSAVG: 3472200 13.3474 29.065 10.7163 29.065 -26.77 5.29788 10.7162 5.29785 -3.67035 GPRESSAVG: 3472200 14.4929 29.7589 10.9805 29.9367 -25.4075 5.81073 9.90362 4.73372 -6.2166 TIMING: 3472200 CPU: 11038, 0.00314825/step Wall: 11038, 0.00314825/step, 1.33608 hours remaining, 240.660156 MB of memory in use. ENERGY: 3472200 3918.0939 20730.5641 14412.6680 241.1521 -203201.0831 2193.2461 0.0000 0.0000 51838.3669 -109866.9919 297.9158 -161705.3588 -109505.4454 299.2123 -265.7544 -238.5767 760594.8718 -5.6977 -5.7104 LDB: ============= START OF LOAD BALANCING ============== 11050.5 LDB: ============== END OF LOAD BALANCING =============== 11050.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11050.5 LDB: ============= START OF LOAD BALANCING ============== 11050.8 LDB: Largest compute 7032 load 0.033271 is 17.0% of average load 0.195452 LDB: Average compute 0.004368 is 2.2% of average load 0.195452 LDB: TIME 11050.8 LOAD: AVG 0.195452 MAX 0.216676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.883 MB LDB: TIME 11050.8 LOAD: AVG 0.195452 MAX 0.216676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.883 MB LDB: TIME 11050.8 LOAD: AVG 0.195452 MAX 0.216676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.883 MB LDB: ============== END OF LOAD BALANCING =============== 11050.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11050.8 PRESSURE: 3472400 -262.497 -72.4044 -367.918 -72.4053 -237.688 -14.2541 -367.918 -14.2545 -605.99 GPRESSURE: 3472400 -232.165 -119.677 -259.366 65.0537 -201.969 -31.3195 -363.302 -50.0847 -582.443 PRESSAVG: 3472400 36.9021 -16.2071 4.22391 -16.207 -45.6336 -1.60682 4.22388 -1.60678 0.712073 GPRESSAVG: 3472400 37.6527 -17.9387 4.21373 -16.1435 -46.9937 -2.36047 3.98082 -0.715895 1.10071 TIMING: 3472400 CPU: 11038.7, 0.00321717/step Wall: 11038.7, 0.00321717/step, 1.36515 hours remaining, 239.632812 MB of memory in use. ENERGY: 3472400 4020.0463 20567.2484 14435.8976 236.2541 -203181.2942 2147.9487 0.0000 0.0000 51954.5128 -109819.3861 298.5833 -161773.8989 -109468.9230 298.5371 -368.7252 -338.8590 759508.0883 -2.6731 -2.7468 PRESSURE: 3472600 -109.139 97.3718 39.709 97.3723 64.6048 -32.5957 39.7091 -32.595 211.767 GPRESSURE: 3472600 1.45933 125.308 63.0772 -14.4297 82.8075 67.3224 32.2929 -34.2602 168.899 PRESSAVG: 3472600 -14.4017 -25.0306 45.3851 -25.0306 -14.0995 8.2241 45.3852 8.22416 -5.04256 GPRESSAVG: 3472600 -14.9685 -24.0501 44.8824 -26.7245 -12.4408 8.67057 46.6814 6.80161 -5.46817 TIMING: 3472600 CPU: 11039.3, 0.00314132/step Wall: 11039.3, 0.00314132/step, 1.33279 hours remaining, 239.835938 MB of memory in use. ENERGY: 3472600 4008.1123 20541.2643 14525.1544 248.6564 -203255.3755 2368.2636 0.0000 0.0000 51757.4881 -109806.4364 297.4510 -161563.9245 -109453.6584 299.0445 55.7445 84.3885 759471.8656 -11.1813 -10.9592 PRESSURE: 3472800 112.427 40.9347 415.109 40.9347 -28.2876 -320.342 415.11 -320.342 142.147 GPRESSURE: 3472800 192.422 43.51 440.251 8.13052 -20.6867 -349.507 253.046 -254.264 154.745 PRESSAVG: 3472800 -0.355294 5.94278 72.8867 5.94274 7.34314 -24.1051 72.8867 -24.1052 1.53128 GPRESSAVG: 3472800 0.183612 5.59134 73.0592 7.77019 6.98737 -23.9255 70.8925 -23.3163 1.24098 TIMING: 3472800 CPU: 11039.9, 0.00312734/step Wall: 11039.9, 0.00312734/step, 1.32669 hours remaining, 239.835938 MB of memory in use. ENERGY: 3472800 3961.0170 20416.8249 14503.6782 248.0135 -203528.7025 2630.3739 0.0000 0.0000 51979.9188 -109788.8762 298.7293 -161768.7950 -109432.9946 298.9311 75.4290 108.8267 759611.7951 2.8397 2.8040 PRESSURE: 3473000 -159.725 206.162 -63.4816 206.162 -15.5293 -35.0572 -63.4814 -35.0571 -74.8777 GPRESSURE: 3473000 -61.9176 154.647 -188.611 221.968 32.0862 -80.7656 -111.984 -3.54046 -123.602 PRESSAVG: 3473000 17.8201 22.6355 34.7277 22.6356 43.6427 -17.0569 34.7277 -17.057 -6.92275 GPRESSAVG: 3473000 18.5852 22.9225 33.9532 20.6304 43.2134 -17.2021 35.0004 -15.9482 -6.89418 TIMING: 3473000 CPU: 11040.6, 0.00316081/step Wall: 11040.6, 0.00316081/step, 1.34071 hours remaining, 239.835938 MB of memory in use. ENERGY: 3473000 3936.0256 20494.5865 14445.7102 249.9891 -203490.9737 2486.5688 0.0000 0.0000 52094.0857 -109784.0079 299.3854 -161878.0936 -109413.4960 299.0960 -83.3774 -51.1444 760881.8171 18.1800 18.3015 PRESSURE: 3473200 18.8403 -49.538 26.7566 -49.5372 -18.2062 -0.0240845 26.7564 -0.0245036 103.36 GPRESSURE: 3473200 39.2932 -90.4585 -78.1786 -39.764 31.4784 24.7103 93.2838 74.4507 104.237 PRESSAVG: 3473200 30.088 1.49107 37.2291 1.49104 -46.6098 27.7436 37.2292 27.7436 5.27877 GPRESSAVG: 3473200 28.4737 0.879842 37.8169 1.82933 -45.1796 27.468 36.2145 27.1042 4.99444 TIMING: 3473200 CPU: 11041.2, 0.0031686/step Wall: 11041.2, 0.0031686/step, 1.34384 hours remaining, 239.835938 MB of memory in use. ENERGY: 3473200 4021.8058 20633.1512 14428.6855 244.1971 -204008.7383 2919.8155 0.0000 0.0000 51872.2649 -109888.8183 298.1106 -161761.0832 -109535.7143 298.8705 34.6648 58.3363 759495.4578 -3.7477 -3.9038 PRESSURE: 3473400 -175.749 -34.2954 154.429 -34.2952 -60.2152 127.438 154.429 127.437 -287.361 GPRESSURE: 3473400 -151.706 41.2465 179.6 -4.93543 -33.184 167.6 154.301 0.535838 -253.589 PRESSAVG: 3473400 -3.2653 29.641 11.4596 29.641 14.0873 28.5553 11.4596 28.5553 23.8768 GPRESSAVG: 3473400 -2.53723 31.3853 12.7256 28.6421 14.0371 29.6664 13.1676 27.2589 23.1911 TIMING: 3473400 CPU: 11041.8, 0.00315506/step Wall: 11041.8, 0.00315506/step, 1.33792 hours remaining, 239.835938 MB of memory in use. ENERGY: 3473400 4009.7708 20583.9647 14410.3387 238.9929 -203500.2075 2533.3066 0.0000 0.0000 51663.0008 -110060.8331 296.9080 -161723.8339 -109703.1806 298.9015 -174.4418 -146.1595 760448.3276 11.5662 11.5637 PRESSURE: 3473600 91.7101 19.3694 165.635 19.3698 326.082 -44.4958 165.635 -44.4952 -29.7786 GPRESSURE: 3473600 134.347 -36.0283 196.534 -134.342 306.299 -12.2789 -46.2472 -94.3205 41.8988 PRESSAVG: 3473600 -1.15932 64.9467 -5.55842 64.9467 6.90593 -17.508 -5.55848 -17.5079 5.9606 GPRESSAVG: 3473600 -0.751582 61.4065 -6.28601 67.0191 5.78702 -18.79 -7.06636 -15.5381 7.13704 TIMING: 3473600 CPU: 11042.5, 0.00316394/step Wall: 11042.5, 0.00316394/step, 1.34151 hours remaining, 239.835938 MB of memory in use. ENERGY: 3473600 3902.8501 20510.3888 14427.2565 238.3347 -203685.5594 2656.6799 0.0000 0.0000 51894.2786 -110055.7710 298.2371 -161950.0496 -109696.8577 297.9453 129.3377 160.8480 760645.9576 3.9024 4.0575 PRESSURE: 3473800 -8.73715 133.777 -209.763 133.777 -29.318 -337.873 -209.763 -337.873 181.83 GPRESSURE: 3473800 9.38686 154.675 -187.871 23.4889 -2.45716 -293.865 -58.8621 -312.565 203.476 PRESSAVG: 3473800 13.4096 65.5994 32.2875 65.5993 15.0754 -43.3129 32.2875 -43.313 -16.9441 GPRESSAVG: 3473800 12.6905 68.5207 31.9147 64.9139 15.8316 -41.6189 33.3114 -44.8431 -16.8808 TIMING: 3473800 CPU: 11043.1, 0.00316447/step Wall: 11043.1, 0.00316447/step, 1.34156 hours remaining, 239.835938 MB of memory in use. ENERGY: 3473800 3944.9912 20603.9193 14474.5317 231.5149 -203535.4434 2379.6710 0.0000 0.0000 51990.7978 -109910.0175 298.7918 -161900.8152 -109541.8266 298.5614 47.9249 70.1352 760731.5670 3.8470 3.8805 PRESSURE: 3474000 -22.2427 -48.8317 15.1759 -48.8313 -471.412 -46.8571 15.1754 -46.8574 5.51739 GPRESSURE: 3474000 -1.33074 -82.4438 -38.3352 -6.74466 -345.115 -128.71 74.5452 49.5139 -40.3726 PRESSAVG: 3474000 2.10638 -4.92679 -36.15 -4.92679 0.196603 -19.0878 -36.15 -19.0879 2.96681 GPRESSAVG: 3474000 4.07997 -4.72791 -35.2642 -7.261 -0.255604 -20.8277 -36.8531 -16.5053 1.05798 TIMING: 3474000 CPU: 11043.7, 0.00316179/step Wall: 11043.7, 0.00316179/step, 1.34025 hours remaining, 239.835938 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: 3474000 3981.1243 20427.0484 14481.5035 252.8507 -203376.7609 2336.0804 0.0000 0.0000 51901.3334 -109996.8202 298.2777 -161898.1536 -109637.0566 298.6698 -162.7123 -128.9394 759642.9629 1.7566 1.6274 PRESSURE: 3474200 -90.25 89.5633 -68.5584 89.5624 -263.995 -198.53 -68.5593 -198.529 51.5933 GPRESSURE: 3474200 71.4813 94.5051 -162.224 53.4761 -355.547 -163.031 12.7647 -160.559 76.4153 PRESSAVG: 3474200 45.8543 9.07503 -18.0187 9.07499 -9.43643 -86.3903 -18.0187 -86.3903 -4.46925 GPRESSAVG: 3474200 44.4267 8.33848 -19.4011 9.76578 -10.264 -87.0557 -18.7911 -86.6334 -2.23453 TIMING: 3474200 CPU: 11044.4, 0.0031704/step Wall: 11044.4, 0.0031704/step, 1.34372 hours remaining, 239.835938 MB of memory in use. ENERGY: 3474200 3939.4340 20600.4464 14485.4553 236.0695 -203402.1538 2535.1864 0.0000 0.0000 51724.9781 -109880.5842 297.2642 -161605.5623 -109524.9319 298.2801 -100.8839 -69.2169 761033.5528 10.6495 10.6427 PRESSURE: 3474400 -398.377 45.6997 118.106 45.7002 -395.487 131.516 118.106 131.515 11.4867 GPRESSURE: 3474400 -424.959 131.304 208.622 62.7677 -286.098 204.043 105.382 126.832 19.1747 PRESSAVG: 3474400 33.3647 -2.66318 1.07442 -2.66317 35.156 -14.2029 1.07441 -14.203 8.2263 GPRESSAVG: 3474400 33.4793 -2.25715 3.12381 -0.976552 35.8858 -11.1945 2.07493 -15.4301 6.80629 TIMING: 3474400 CPU: 11045, 0.00316169/step Wall: 11045, 0.00316169/step, 1.33985 hours remaining, 239.835938 MB of memory in use. ENERGY: 3474400 3895.1320 20670.4512 14511.6206 253.2711 -203689.7624 2437.5067 0.0000 0.0000 52064.0975 -109857.6833 299.2131 -161921.7808 -109486.0632 298.7804 -260.7925 -230.6275 760862.2070 25.5823 25.3905 PRESSURE: 3474600 376.123 25.1613 4.35467 25.1607 193.87 -202.891 4.35444 -202.891 162.052 GPRESSURE: 3474600 351.291 -8.99273 27.7069 -26.1445 258.468 -207.726 -37.632 -138.251 196.86 PRESSAVG: 3474600 27.048 30.7389 -56.1921 30.7389 -4.72721 24.0507 -56.1921 24.0507 4.15879 GPRESSAVG: 3474600 26.2933 30.0697 -56.8861 29.966 -4.42508 22.1206 -57.4608 23.5095 4.5094 TIMING: 3474600 CPU: 11045.6, 0.00315795/step Wall: 11045.6, 0.00315795/step, 1.33809 hours remaining, 239.835938 MB of memory in use. ENERGY: 3474600 3883.4547 20487.2734 14513.8538 234.8910 -203661.1104 2740.1479 0.0000 0.0000 52037.7011 -109763.7884 299.0614 -161801.4895 -109398.5235 299.0017 244.0148 268.8730 760292.1099 8.8265 8.7925 PRESSURE: 3474800 -232.49 26.5643 -12.2836 26.5642 -230.757 55.0936 -12.2829 55.0933 -232.659 GPRESSURE: 3474800 -242.019 170.077 51.2163 33.0568 -114.368 74.6931 35.4506 14.8634 -262.185 PRESSAVG: 3474800 -45.6977 53.233 -3.85222 53.2329 53.9825 17.5657 -3.85225 17.5658 6.24096 GPRESSAVG: 3474800 -45.4641 52.397 -1.83398 54.0695 52.6952 16.056 -2.61614 18.5309 6.29297 TIMING: 3474800 CPU: 11046.3, 0.00317695/step Wall: 11046.3, 0.00317695/step, 1.34597 hours remaining, 239.835938 MB of memory in use. ENERGY: 3474800 3966.3569 20557.4703 14465.8899 247.3106 -202738.4144 1894.7039 0.0000 0.0000 51902.6157 -109704.0672 298.2850 -161606.6829 -109346.5106 298.8726 -231.9685 -206.1911 760283.9809 4.8419 4.5080 PRESSURE: 3475000 32.9671 -78.9945 19.0391 -78.9939 -64.9518 -92.9158 19.0391 -92.9145 22.8376 GPRESSURE: 3475000 57.7011 -34.4023 -50.4206 -108.338 -32.629 -27.4341 -26.5891 6.29549 73.4127 PRESSAVG: 3475000 -16.0158 17.4156 32.6979 17.4156 19.1797 20.8264 32.6979 20.8264 4.68299 GPRESSAVG: 3475000 -15.7962 19.6982 31.991 15.1835 20.2229 22.6213 31.872 19.8021 3.71011 TIMING: 3475000 CPU: 11046.9, 0.00315287/step Wall: 11046.9, 0.00315287/step, 1.33559 hours remaining, 239.835938 MB of memory in use. ENERGY: 3475000 3923.8731 20528.1127 14426.7794 242.3058 -203642.0657 2498.4942 0.0000 0.0000 52201.0107 -109821.4898 299.9999 -162022.5005 -109454.0364 299.0542 -3.0490 32.8283 760164.0918 2.6156 2.7123 PRESSURE: 3475200 -77.8304 173.286 -78.0718 173.286 -101.716 70.5146 -78.0719 70.5162 -49.5111 GPRESSURE: 3475200 8.85648 111.167 -120.61 106.164 -120.884 57.2292 -35.4759 144.402 -17.7223 PRESSAVG: 3475200 25.3191 44.0577 -37.3471 44.0577 -74.0297 -11.1324 -37.3471 -11.1324 -5.25047 GPRESSAVG: 3475200 26.309 43.9749 -39.5448 44.2785 -74.8751 -10.5931 -35.9172 -9.02313 -5.44166 TIMING: 3475200 CPU: 11047.5, 0.00318313/step Wall: 11047.5, 0.00318313/step, 1.34823 hours remaining, 239.835938 MB of memory in use. ENERGY: 3475200 3956.2654 20532.0023 14416.6207 251.5139 -203188.1344 2503.2411 0.0000 0.0000 51805.7703 -109722.7206 297.7285 -161528.4909 -109357.8312 298.9211 -76.3523 -43.2498 761037.5083 -17.9870 -18.0026 PRESSURE: 3475400 -104.94 -166.263 -94.0045 -166.262 -209.014 131.575 -94.0045 131.574 -130.159 GPRESSURE: 3475400 -45.2879 -96.1041 -164.923 -111.476 -104.193 204.484 24.2702 192.397 -210.484 PRESSAVG: 3475400 56.386 1.38116 -47.6344 1.38118 -28.0715 -27.0193 -47.6345 -27.0192 0.968798 GPRESSAVG: 3475400 56.0251 2.81605 -46.5231 2.02713 -28.6804 -26.6806 -47.1706 -28.9032 2.04431 TIMING: 3475400 CPU: 11048.2, 0.00316448/step Wall: 11048.2, 0.00316448/step, 1.34016 hours remaining, 239.835938 MB of memory in use. ENERGY: 3475400 4032.9247 20441.4575 14440.0133 263.9172 -203687.1944 2516.2653 0.0000 0.0000 52466.2910 -109526.3253 301.5245 -161992.6164 -109152.5953 299.5159 -148.0375 -119.9881 758896.4667 9.7611 9.7963 PRESSURE: 3475600 280.946 -157.653 -43.3555 -157.652 135.035 131.864 -43.3549 131.864 26.1689 GPRESSURE: 3475600 277.559 -164.691 11.363 -144.417 91.7546 145.602 -7.79845 242.08 157.669 PRESSAVG: 3475600 30.692 9.53792 -6.65922 9.53789 -13.4234 -12.7427 -6.65922 -12.7427 1.25459 GPRESSAVG: 3475600 29.6435 8.28582 -7.47836 11.8849 -13.1028 -13.6512 -5.62231 -11.8691 1.66525 TIMING: 3475600 CPU: 11048.8, 0.00319192/step Wall: 11048.8, 0.00319192/step, 1.3516 hours remaining, 239.835938 MB of memory in use. ENERGY: 3475600 4007.0114 20617.6966 14435.4094 251.1493 -203618.6558 2590.4711 0.0000 0.0000 52037.3603 -109679.5577 299.0594 -161716.9181 -109332.7103 299.5164 147.3832 175.6609 758741.3609 6.1744 6.0687 PRESSURE: 3475800 113.562 60.4448 115.396 60.4452 -51.3342 188.115 115.395 188.115 -448.918 GPRESSURE: 3475800 168.655 47.4383 115.675 -31.1106 -46.3491 167.624 87.2671 134.528 -417.984 PRESSAVG: 3475800 31.3712 58.7027 50.2724 58.7026 -27.6957 4.19565 50.2725 4.19562 -1.3503 GPRESSAVG: 3475800 31.5587 58.799 51.1946 57.9605 -27.683 2.21868 47.5439 3.81134 -2.05696 TIMING: 3475800 CPU: 11049.4, 0.003178/step Wall: 11049.4, 0.003178/step, 1.34553 hours remaining, 239.835938 MB of memory in use. ENERGY: 3475800 3965.1726 20717.4600 14517.4064 236.2921 -203376.1858 2258.3953 0.0000 0.0000 51839.9470 -109841.5124 297.9249 -161681.4594 -109488.9844 299.0378 -128.8967 -98.5593 760092.6220 0.7751 0.6063 PRESSURE: 3476000 10.2487 -117.499 139.245 -117.498 138.669 71.135 139.246 71.1342 312.775 GPRESSURE: 3476000 22.348 -95.3974 121.234 -36.7589 157.732 150.904 113.663 137.976 366.154 PRESSAVG: 3476000 -66.6707 42.6394 5.1796 42.6395 13.0447 46.2675 5.17962 46.2675 6.37277 GPRESSAVG: 3476000 -65.8406 39.6948 5.25608 44.0825 12.4284 46.5171 5.0778 47.4765 6.5623 TIMING: 3476000 CPU: 11050.1, 0.00318195/step Wall: 11050.1, 0.00318195/step, 1.34703 hours remaining, 239.835938 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: 3476000 3926.4156 20510.0012 14425.6580 257.1216 -203901.5923 2765.1954 0.0000 0.0000 52159.0680 -109858.1326 299.7589 -162017.2006 -109497.2746 299.1368 153.8976 182.0778 759500.7749 -15.7511 -15.6166 PRESSURE: 3476200 -122.594 57.4679 -16.2394 57.4674 -141.146 -160.846 -16.24 -160.846 -91.5917 GPRESSURE: 3476200 -90.3699 7.21068 -5.06485 84.4583 -110.226 -167.314 17.9581 -116.367 -81.1396 PRESSAVG: 3476200 46.1583 75.4282 -5.84821 75.4283 -26.9376 -38.4692 -5.8482 -38.4691 12.0225 GPRESSAVG: 3476200 45.1959 76.3481 -3.85927 75.0468 -26.0361 -35.0886 -5.69895 -39.6708 11.835 TIMING: 3476200 CPU: 11050.7, 0.00318689/step Wall: 11050.7, 0.00318689/step, 1.34894 hours remaining, 239.835938 MB of memory in use. ENERGY: 3476200 3941.6950 20536.6969 14467.5763 236.6364 -203312.1671 2393.4432 0.0000 0.0000 51836.1363 -109899.9829 297.9030 -161736.1193 -109542.6533 298.4892 -118.4440 -93.9119 760285.5871 10.4144 10.3316 LDB: ============= START OF LOAD BALANCING ============== 11063.2 LDB: ============== END OF LOAD BALANCING =============== 11063.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11063.2 LDB: ============= START OF LOAD BALANCING ============== 11063.5 LDB: Largest compute 7033 load 0.036981 is 18.9% of average load 0.195324 LDB: Average compute 0.004396 is 2.3% of average load 0.195324 LDB: TIME 11063.5 LOAD: AVG 0.195324 MAX 0.213917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.402 MB LDB: TIME 11063.5 LOAD: AVG 0.195324 MAX 0.213917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 11063.5 LOAD: AVG 0.195324 MAX 0.213917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 11063.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11063.5 PRESSURE: 3476400 1.53231 -47.1178 -3.64261 -47.1183 -79.3511 -110.974 -3.64199 -110.974 65.11 GPRESSURE: 3476400 -89.7253 -57.4797 57.525 -98.8227 53.9768 -151.302 -52.3567 -65.5545 86.593 PRESSAVG: 3476400 -20.8428 31.5051 -13.9393 31.5052 57.75 3.13202 -13.9393 3.13198 14.4786 GPRESSAVG: 3476400 -21.8252 33.2604 -16.0634 28.7956 58.47 1.31792 -14.444 1.68841 14.7385 TIMING: 3476400 CPU: 11051.4, 0.0032595/step Wall: 11051.4, 0.0032595/step, 1.37949 hours remaining, 239.527344 MB of memory in use. ENERGY: 3476400 4034.4627 20476.7503 14496.4332 232.0502 -203481.3476 2679.0720 0.0000 0.0000 51854.3103 -109708.2688 298.0074 -161562.5791 -109347.1422 298.8623 -4.2363 16.9482 760759.6905 17.1286 17.1277 PRESSURE: 3476600 90.1786 -83.4868 73.9103 -83.4868 266.097 -277.675 73.9103 -277.674 38.2355 GPRESSURE: 3476600 107.364 -144.9 34.3487 -66.9111 345.201 -172.958 9.27045 -307.408 32.7794 PRESSAVG: 3476600 -12.344 47.6138 -1.04525 47.6138 -6.07959 -23.4206 -1.04517 -23.4206 -5.81623 GPRESSAVG: 3476600 -11.9036 46.0438 -1.53873 47.6879 -5.98084 -23.1597 -0.964746 -22.6096 -6.4495 TIMING: 3476600 CPU: 11052, 0.00319038/step Wall: 11052, 0.00319038/step, 1.35006 hours remaining, 239.527344 MB of memory in use. ENERGY: 3476600 3997.3851 20645.3796 14491.7522 247.0366 -203716.7650 2606.0769 0.0000 0.0000 52034.4806 -109694.6540 299.0429 -161729.1346 -109331.3100 298.9495 131.5038 161.7814 760800.7955 -8.0799 -8.1113 PRESSURE: 3476800 25.628 -68.011 168.917 -68.0104 -162.905 32.5661 168.916 32.5659 -124.979 GPRESSURE: 3476800 93.2085 83.3577 148.599 -35.5323 -143.558 32.9537 -16.6407 141.265 -116.113 PRESSAVG: 3476800 -27.0726 -5.23103 11.7804 -5.231 -22.8845 1.5107 11.7804 1.51065 11.4893 GPRESSAVG: 3476800 -26.0768 -2.79475 11.8755 -4.14443 -23.2362 0.625306 11.7745 3.03849 11.331 TIMING: 3476800 CPU: 11052.6, 0.00318303/step Wall: 11052.6, 0.00318303/step, 1.34678 hours remaining, 239.527344 MB of memory in use. ENERGY: 3476800 4033.8294 20318.0308 14465.0944 251.7059 -203451.8627 2449.7750 0.0000 0.0000 52187.5850 -109745.8422 299.9228 -161933.4272 -109377.1248 298.9409 -87.4188 -55.4876 762375.1791 -12.8226 -12.6606 PRESSURE: 3477000 63.6263 25.3943 -264.095 25.3945 -111.537 347.813 -264.096 347.813 -103.314 GPRESSURE: 3477000 73.7256 104.487 -262.51 149.526 -59.5864 337.091 -91.6717 288.873 -82.1442 PRESSAVG: 3477000 21.4481 -6.6531 -7.18412 -6.65307 -13.0556 45.7098 -7.18422 45.7099 -18.9138 GPRESSAVG: 3477000 20.2207 -7.1706 -8.10063 -6.06951 -13.0188 48.0223 -5.31641 44.5692 -17.97 TIMING: 3477000 CPU: 11053.3, 0.00321809/step Wall: 11053.3, 0.00321809/step, 1.36143 hours remaining, 239.527344 MB of memory in use. ENERGY: 3477000 3982.9222 20461.0522 14458.5553 261.6108 -203558.7243 2696.7950 0.0000 0.0000 51920.3733 -109777.4154 298.3871 -161697.7888 -109412.7354 299.0413 -50.4083 -22.6683 760364.7516 -3.5071 -3.5894 PRESSURE: 3477200 -84.0473 -163.327 23.125 -163.326 134.667 -6.97906 23.1244 -6.98031 273.244 GPRESSURE: 3477200 16.2502 -107.879 40.6747 -153.421 145.341 -1.64723 22.5571 50.2268 262.216 PRESSAVG: 3477200 17.4721 -37.8617 26.5061 -37.8617 9.78413 2.148 26.5061 2.14787 9.26473 GPRESSAVG: 3477200 19.1232 -36.8388 27.4484 -39.2874 8.41115 1.90727 25.1939 0.47955 9.14429 TIMING: 3477200 CPU: 11053.9, 0.00319726/step Wall: 11053.9, 0.00319726/step, 1.35244 hours remaining, 239.527344 MB of memory in use. ENERGY: 3477200 3969.0684 20712.4705 14456.2855 254.8115 -203676.4226 2748.9398 0.0000 0.0000 51908.1636 -109626.6833 298.3169 -161534.8469 -109270.8024 299.1199 107.9547 141.2691 761121.7517 12.1736 12.2262 PRESSURE: 3477400 -150.885 123.896 7.64783 123.895 -532.508 -135.615 7.64672 -135.615 -285.652 GPRESSURE: 3477400 -217.953 194.826 -9.20718 61.7543 -364.891 -241.241 -10.7556 -91.9902 -310.117 PRESSAVG: 3477400 7.39094 38.356 26.2519 38.356 -37.5138 -27.2182 26.2519 -27.2181 25.8221 GPRESSAVG: 3477400 7.06937 36.6313 26.6044 41.0483 -35.7301 -28.8221 26.344 -23.7192 24.7886 TIMING: 3477400 CPU: 11054.5, 0.00319341/step Wall: 11054.5, 0.00319341/step, 1.35063 hours remaining, 239.527344 MB of memory in use. ENERGY: 3477400 3999.4875 20687.8767 14462.5790 261.9860 -203219.0295 2128.1353 0.0000 0.0000 51919.8782 -109759.0867 298.3843 -161678.9649 -109398.6288 298.7044 -323.0152 -297.6540 761500.9129 -1.4336 -1.2907 PRESSURE: 3477600 144.297 79.6672 228.015 79.6667 66.7051 284.51 228.016 284.511 -245.692 GPRESSURE: 3477600 51.127 99.5098 200.267 57.281 253.416 283.72 67.8156 208.036 -242.34 PRESSAVG: 3477600 10.8978 38.2991 83.7723 38.2991 9.05332 14.6869 83.7723 14.6869 -2.46392 GPRESSAVG: 3477600 10.8217 37.0613 83.0906 36.4162 9.26242 16.2819 84.1052 9.12839 -2.43858 TIMING: 3477600 CPU: 11055.2, 0.00316436/step Wall: 11055.2, 0.00316436/step, 1.33817 hours remaining, 239.527344 MB of memory in use. ENERGY: 3477600 3995.3511 20437.4686 14487.8528 252.3899 -204221.8254 3193.5743 0.0000 0.0000 52069.7626 -109785.4260 299.2456 -161855.1886 -109422.7619 299.1217 -11.5634 20.7344 760920.8837 5.8291 5.8818 PRESSURE: 3477800 4.08189 18.3239 -14.9576 18.3234 31.9433 115.668 -14.9578 115.668 -117.184 GPRESSURE: 3477800 31.2001 197.737 -70.0802 37.712 43.1847 167.306 -101.955 122.947 -73.4712 PRESSAVG: 3477800 -12.6085 12.5931 10.6695 12.5931 16.1003 -35.14 10.6695 -35.1399 21.0108 GPRESSAVG: 3477800 -12.5107 15.2554 9.87695 10.7968 15.6096 -34.8789 11.4347 -31.8866 21.5826 TIMING: 3477800 CPU: 11055.8, 0.00319533/step Wall: 11055.8, 0.00319533/step, 1.35109 hours remaining, 239.527344 MB of memory in use. ENERGY: 3477800 3987.5716 20673.6643 14511.2170 236.0862 -203484.4282 2307.7451 0.0000 0.0000 51746.3759 -110021.7681 297.3871 -161768.1440 -109659.9414 298.6160 -27.0529 0.3045 761112.3429 8.1676 8.2272 PRESSURE: 3478000 485.644 -133.944 -42.847 -133.943 259.412 26.8526 -42.8474 26.8517 246.871 GPRESSURE: 3478000 520.024 -45.3802 -44.9449 -136.964 313.368 -2.33353 -26.4795 -76.2059 246.365 PRESSAVG: 3478000 3.78619 -12.549 -13.1579 -12.5491 -30.9906 -20.5442 -13.158 -20.5442 13.4905 GPRESSAVG: 3478000 3.80929 -13.7588 -11.7611 -11.6424 -30.8999 -21.6779 -15.1329 -21.5379 13.241 TIMING: 3478000 CPU: 11056.5, 0.00317283/step Wall: 11056.5, 0.00317283/step, 1.3414 hours remaining, 239.527344 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: 3478000 3990.1353 20503.6191 14498.5622 240.6370 -204085.9748 2876.7221 0.0000 0.0000 52033.2202 -109943.0788 299.0356 -161976.2990 -109582.4602 298.5259 330.6423 359.9188 761252.0747 -4.5713 -4.6165 PRESSURE: 3478200 65.7219 68.9023 99.0011 68.9019 -216.808 -6.23112 99.0009 -6.23068 -48.4876 GPRESSURE: 3478200 165.473 98.8375 -9.33839 103.036 -265.171 24.3184 131.581 42.0745 -12.6872 PRESSAVG: 3478200 16.3483 -43.4655 15.8386 -43.4655 5.86115 -17.3352 15.8387 -17.3351 -1.45571 GPRESSAVG: 3478200 16.4764 -46.1554 15.5171 -41.3276 5.64207 -17.5274 17.2168 -16.9607 -1.12228 TIMING: 3478200 CPU: 11057.1, 0.00316967/step Wall: 11057.1, 0.00316967/step, 1.33989 hours remaining, 239.527344 MB of memory in use. ENERGY: 3478200 3938.3414 20359.0236 14468.9614 239.0878 -203578.0550 2486.8408 0.0000 0.0000 52194.5532 -109891.2469 299.9628 -162085.8001 -109522.5274 298.8735 -66.5245 -37.4617 759802.9968 6.9179 6.9987 PRESSURE: 3478400 61.2761 -13.3706 95.9809 -13.3706 -31.4727 -168.373 95.9819 -168.374 74.4768 GPRESSURE: 3478400 26.1255 15.2035 169.662 -18.8654 35.8819 -141.442 171.547 -153.784 110.088 PRESSAVG: 3478400 22.2886 7.09776 38.435 7.09783 -12.1473 38.8856 38.435 38.8856 -13.5517 GPRESSAVG: 3478400 23.6152 8.61134 38.2422 8.12203 -13.0141 39.7134 39.4024 36.7914 -14.3296 TIMING: 3478400 CPU: 11057.7, 0.00315982/step Wall: 11057.7, 0.00315982/step, 1.33555 hours remaining, 239.527344 MB of memory in use. ENERGY: 3478400 3963.9892 20597.0859 14398.8692 238.3101 -204095.5210 2577.1194 0.0000 0.0000 52206.5317 -110113.6155 300.0317 -162320.1473 -109753.2278 299.4930 34.7600 57.3652 759570.6301 -1.1368 -1.2428 PRESSURE: 3478600 250.075 -46.7477 -251.873 -46.7482 -24.9081 -44.6904 -251.873 -44.6906 47.7476 GPRESSURE: 3478600 310.637 -30.8202 -246.666 -84.0742 36.7769 -116.28 -306.946 2.54816 23.7786 PRESSAVG: 3478600 20.2018 0.886443 15.7063 0.886422 11.7591 15.7658 15.7063 15.7659 18.1235 GPRESSAVG: 3478600 18.2343 2.77057 16.7699 -3.49608 11.9491 14.7044 16.8286 17.5443 20.1414 TIMING: 3478600 CPU: 11058.4, 0.00316178/step Wall: 11058.4, 0.00316178/step, 1.3362 hours remaining, 239.527344 MB of memory in use. ENERGY: 3478600 4100.5242 20789.6006 14437.1865 248.9451 -203751.4021 2533.8990 0.0000 0.0000 51805.3168 -109835.9298 297.7259 -161641.2467 -109481.8563 298.8629 90.9717 123.7307 761575.5286 16.6948 16.7749 PRESSURE: 3478800 -263.237 139.737 -0.0358765 139.737 -101.674 56.728 -0.0365815 56.7286 -57.9256 GPRESSURE: 3478800 -129.669 121.199 45.7006 125.046 -109.98 29.657 -89.3037 124.581 -102.733 PRESSAVG: 3478800 57.0751 -21.3892 -40.2576 -21.3892 -59.7383 19.0188 -40.2575 19.0188 3.98211 GPRESSAVG: 3478800 58.0493 -22.9325 -41.7197 -19.6421 -58.9099 20.3069 -44.3287 19.603 2.40489 TIMING: 3478800 CPU: 11059, 0.0031743/step Wall: 11059, 0.0031743/step, 1.34132 hours remaining, 239.527344 MB of memory in use. ENERGY: 3478800 4036.4145 20452.0383 14421.8265 230.9158 -203350.3378 2187.9712 0.0000 0.0000 52331.2892 -109689.8824 300.7486 -162021.1716 -109318.7031 299.4406 -140.9453 -114.1274 760938.6136 0.4397 0.5148 PRESSURE: 3479000 422.613 162.328 -62.7866 162.329 372.993 -152.999 -62.7869 -152.999 -1.68669 GPRESSURE: 3479000 357.457 93.1648 -30.6986 126.802 450.223 0.286406 -62.2136 -218.052 54.4386 PRESSAVG: 3479000 4.13668 -0.653911 -72.9541 -0.653897 -13.1551 18.1914 -72.9541 18.1914 22.8176 GPRESSAVG: 3479000 2.87816 0.446292 -73.2373 -0.154829 -11.9553 17.6885 -68.5978 18.0101 22.3763 TIMING: 3479000 CPU: 11059.6, 0.00318647/step Wall: 11059.6, 0.00318647/step, 1.34628 hours remaining, 239.527344 MB of memory in use. ENERGY: 3479000 4012.2335 20707.3524 14347.1605 258.3978 -203804.7463 2772.2464 0.0000 0.0000 51945.0958 -109762.2598 298.5292 -161707.3556 -109416.8302 299.3403 264.6399 287.3730 760129.8706 4.5997 4.4331 PRESSURE: 3479200 394.835 119.413 -226.75 119.413 300.936 183.815 -226.75 183.815 -70.7409 GPRESSURE: 3479200 398.856 94.1266 -182.401 146.365 328.154 170.682 -252.275 163.937 -27.1596 PRESSAVG: 3479200 -28.5334 -30.5448 -30.4994 -30.5447 37.2432 -16.6897 -30.4994 -16.6897 -19.0002 GPRESSAVG: 3479200 -27.9857 -29.915 -29.4887 -32.0583 35.1082 -16.7051 -31.3106 -16.1698 -17.7133 TIMING: 3479200 CPU: 11060.3, 0.00318585/step Wall: 11060.3, 0.00318585/step, 1.34584 hours remaining, 239.527344 MB of memory in use. ENERGY: 3479200 4013.3030 20433.7882 14459.9301 262.3154 -203642.7186 2592.9439 0.0000 0.0000 51942.3325 -109938.1056 298.5133 -161880.4380 -109573.2238 299.1783 208.3436 233.2837 760672.7093 -3.4301 -3.5303 PRESSURE: 3479400 -18.5063 -199.482 70.8408 -199.482 -236.474 91.0464 70.8414 91.0466 236.942 GPRESSURE: 3479400 -46.4122 -159.693 26.5224 -196.814 -94.3083 7.43587 37.7618 34.9066 218.534 PRESSAVG: 3479400 -16.6061 -2.86402 -12.6188 -2.86393 42.7526 24.9777 -12.6188 24.9778 14.4003 GPRESSAVG: 3479400 -16.6208 -5.56457 -12.0299 -2.3114 42.678 24.172 -13.7929 24.9441 14.5162 TIMING: 3479400 CPU: 11060.9, 0.00315729/step Wall: 11060.9, 0.00315729/step, 1.33361 hours remaining, 239.527344 MB of memory in use. ENERGY: 3479400 4058.3244 20501.6498 14473.6357 243.2418 -203887.6495 2751.3001 0.0000 0.0000 52083.3890 -109776.1087 299.3240 -161859.4977 -109409.1775 299.3598 -6.0128 25.9379 761285.2256 13.5156 13.5244 PRESSURE: 3479600 252.414 -231.272 55.3221 -231.273 164.853 -229.768 55.322 -229.769 176.102 GPRESSURE: 3479600 236.552 -267.801 105.63 -125.181 255.812 -135.983 -126.255 -236.781 174.394 PRESSAVG: 3479600 33.6085 -49.884 -10.1997 -49.884 -15.579 -20.5749 -10.1997 -20.5749 10.1198 GPRESSAVG: 3479600 34.1155 -50.3583 -10.4255 -48.1719 -15.0114 -19.762 -11.4564 -20.1514 8.59473 TIMING: 3479600 CPU: 11061.5, 0.00315694/step Wall: 11061.5, 0.00315694/step, 1.33328 hours remaining, 239.527344 MB of memory in use. ENERGY: 3479600 4028.6484 20671.6674 14522.3243 247.5298 -203820.9681 2736.1073 0.0000 0.0000 51958.8637 -109655.8272 298.6083 -161614.6909 -109290.4134 299.2618 197.7895 222.2526 759809.6010 9.3831 9.2329 PRESSURE: 3479800 108.966 -101.11 -45.2191 -101.11 -107.49 -88.5433 -45.2179 -88.5427 -71.5832 GPRESSURE: 3479800 36.3712 -165.442 -108.309 -232.931 -23.6363 -90.8464 58.9558 -104.985 2.82 PRESSAVG: 3479800 24.1967 -45.9123 17.4495 -45.9123 -72.7026 -42.366 17.4495 -42.366 -0.553777 GPRESSAVG: 3479800 23.7828 -44.0498 17.0421 -48.6046 -74.5816 -42.4961 18.4203 -41.6139 1.58088 TIMING: 3479800 CPU: 11062.2, 0.00314794/step Wall: 11062.2, 0.00314794/step, 1.3293 hours remaining, 239.527344 MB of memory in use. ENERGY: 3479800 4017.5673 20617.6221 14533.7075 252.8533 -203476.0110 2290.9631 0.0000 0.0000 52215.8220 -109547.4757 300.0850 -161763.2976 -109192.8226 299.0023 -23.3693 5.1849 760894.3589 -16.3532 -16.4060 PRESSURE: 3480000 404.523 -127.845 67.1956 -127.845 -320.181 -150.545 67.1953 -150.545 460.586 GPRESSURE: 3480000 457.714 -104.792 70.817 -96.7455 -332.125 -133.551 11.0468 -125.095 497.394 PRESSAVG: 3480000 43.267 -20.7715 56.3387 -20.7715 -75.172 -11.7891 56.3386 -11.7891 5.17975 GPRESSAVG: 3480000 43.2242 -22.2617 56.4309 -18.3085 -73.9103 -11.3736 55.3142 -13.8882 3.76891 TIMING: 3480000 CPU: 11062.8, 0.00315372/step Wall: 11062.8, 0.00315372/step, 1.33157 hours remaining, 239.527344 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: 3480000 3970.9430 20674.2570 14455.8557 259.2103 -203585.5738 2464.8468 0.0000 0.0000 52226.6151 -109533.8459 300.1471 -161760.4610 -109166.3958 299.6415 181.6429 207.6608 760608.5773 -8.9084 -8.9724 PRESSURE: 3480200 130.477 220.173 -44.599 220.174 -558.693 214.79 -44.5983 214.79 -162.019 GPRESSURE: 3480200 50.9262 231.129 -96.1151 149.062 -429.653 174.099 21.4274 170.959 -134.593 PRESSAVG: 3480200 45.684 -28.4865 18.0066 -28.4865 -58.5393 -14.66 18.0066 -14.66 -5.45112 GPRESSAVG: 3480200 45.3308 -26.6913 17.3961 -31.3331 -57.9457 -15.6963 18.3255 -14.259 -5.07142 TIMING: 3480200 CPU: 11063.4, 0.00319649/step Wall: 11063.4, 0.00319649/step, 1.34945 hours remaining, 239.527344 MB of memory in use. ENERGY: 3480200 4061.3137 20543.9462 14487.1863 249.4062 -203727.4349 2561.2092 0.0000 0.0000 52142.4110 -109681.9623 299.6632 -161824.3733 -109317.0006 299.9093 -196.7453 -171.1068 759473.0530 -6.1022 -5.8954 LDB: ============= START OF LOAD BALANCING ============== 11075.9 LDB: ============== END OF LOAD BALANCING =============== 11075.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11075.9 LDB: ============= START OF LOAD BALANCING ============== 11076.2 LDB: Largest compute 7056 load 0.034337 is 17.6% of average load 0.195205 LDB: Average compute 0.004406 is 2.3% of average load 0.195205 LDB: TIME 11076.2 LOAD: AVG 0.195205 MAX 0.215697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 11076.2 LOAD: AVG 0.195205 MAX 0.215697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 11076.2 LOAD: AVG 0.195205 MAX 0.215697 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 11076.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11076.2 PRESSURE: 3480400 82.1065 128.769 -180.947 128.77 194.492 -45.7003 -180.947 -45.7 -50.36 GPRESSURE: 3480400 107.449 200.262 -146.523 96.2346 223.133 -94.6509 70.1734 79.3433 -14.4122 PRESSAVG: 3480400 34.2707 -8.77564 16.8948 -8.77561 -18.0664 31.4678 16.8948 31.4677 10.9751 GPRESSAVG: 3480400 34.0101 -8.09167 18.1569 -8.5318 -18.9947 31.5511 18.0737 32.4161 11.785 TIMING: 3480400 CPU: 11064.1, 0.00322103/step Wall: 11064.1, 0.00322103/step, 1.35963 hours remaining, 241.117188 MB of memory in use. ENERGY: 3480400 3957.9222 20581.2482 14478.8881 235.1523 -203763.5002 2690.5436 0.0000 0.0000 52043.8978 -109775.8480 299.0970 -161819.7458 -109413.0576 299.2670 75.4127 105.3901 759656.5278 9.0598 8.9335 PRESSURE: 3480600 -182.473 -231.801 38.0311 -231.802 -1.95387 119.194 38.0309 119.196 231.795 GPRESSURE: 3480600 -130.329 -104.655 62.7983 -179.908 51.0723 43.3692 -47.9635 222.306 216.334 PRESSAVG: 3480600 -7.94573 -24.0346 -18.8444 -24.0345 -16.522 -27.6377 -18.8444 -27.6376 -3.27934 GPRESSAVG: 3480600 -6.71605 -25.3006 -19.0104 -21.0176 -17.2904 -26.696 -19.5048 -24.7815 -4.45752 TIMING: 3480600 CPU: 11064.7, 0.00316854/step Wall: 11064.7, 0.00316854/step, 1.3373 hours remaining, 241.320312 MB of memory in use. ENERGY: 3480600 3985.7692 20515.7900 14502.8734 237.0422 -203399.5206 2198.8229 0.0000 0.0000 52049.7600 -109909.4628 299.1307 -161959.2229 -109540.5002 299.1484 15.7893 45.6925 759996.5083 -9.2490 -9.4880 PRESSURE: 3480800 450.964 -25.236 42.9222 -25.2359 -41.1834 233.641 42.9221 233.641 33.4979 GPRESSURE: 3480800 488.582 -32.4299 137.946 29.9638 -73.4851 178.688 78.7362 135.101 125.215 PRESSAVG: 3480800 -16.6287 -14.6412 -23.7971 -14.6412 3.09947 -27.6485 -23.7971 -27.6485 2.49337 GPRESSAVG: 3480800 -16.1895 -14.4994 -23.7432 -15.5147 1.93199 -27.2504 -22.7892 -31.2067 3.03043 TIMING: 3480800 CPU: 11065.3, 0.00316189/step Wall: 11065.3, 0.00316189/step, 1.33432 hours remaining, 241.320312 MB of memory in use. ENERGY: 3480800 4027.7483 20595.7018 14473.2585 251.9114 -203447.1209 2390.1358 0.0000 0.0000 52117.4552 -109590.9099 299.5197 -161708.3651 -109222.8181 298.6073 147.7594 180.1038 761036.7617 -3.6786 -3.7424 PRESSURE: 3481000 -15.1438 -224.414 -264.837 -224.414 -138.126 41.5095 -264.836 41.5096 -10.7029 GPRESSURE: 3481000 -15.3971 -195.344 -224.279 -143.682 -76.4193 53.1487 -170.271 -27.2768 14.5909 PRESSAVG: 3481000 -19.9659 -20.2992 -23.5172 -20.2992 -31.8434 -1.97497 -23.5172 -1.97497 10.1438 GPRESSAVG: 3481000 -21.1733 -22.989 -24.9571 -22.0865 -30.459 -2.08543 -23.264 -1.13346 9.99424 TIMING: 3481000 CPU: 11066, 0.00320122/step Wall: 11066, 0.00320122/step, 1.35074 hours remaining, 241.320312 MB of memory in use. ENERGY: 3481000 3997.8817 20741.6697 14482.7626 236.7114 -203493.2105 2428.3781 0.0000 0.0000 51988.8801 -109616.9270 298.7808 -161605.8071 -109264.7178 299.5551 -54.6576 -25.7418 760250.7582 -13.8885 -13.8794 PRESSURE: 3481200 22.1865 -36.8432 -182.507 -36.8438 165.101 -17.0982 -182.507 -17.0995 37.535 GPRESSURE: 3481200 38.3567 -68.2561 -236.035 -81.5851 211.583 -27.7009 -115.21 54.252 56.5973 PRESSAVG: 3481200 -1.85044 -0.808551 32.2676 -0.808521 -18.4855 -5.02412 32.2677 -5.02412 13.742 GPRESSAVG: 3481200 -2.24158 0.484463 31.88 -0.621961 -18.3099 -4.58878 33.1208 -3.11316 14.1931 TIMING: 3481200 CPU: 11066.6, 0.00318983/step Wall: 11066.6, 0.00318983/step, 1.34576 hours remaining, 241.320312 MB of memory in use. ENERGY: 3481200 4039.7034 20516.2531 14538.3920 257.2052 -203507.6344 2542.3777 0.0000 0.0000 51997.1343 -109616.5687 298.8282 -161613.7030 -109259.1978 299.7407 74.9409 102.1789 760357.8757 -2.1980 -2.1195 PRESSURE: 3481400 75.6399 -105.107 6.07209 -105.107 -60.1177 37.1928 6.07204 37.1929 430.941 GPRESSURE: 3481400 133.468 -61.3676 77.4354 -128.172 42.0155 36.4302 9.52546 -156.203 365.926 PRESSAVG: 3481400 -4.14214 -7.20204 14.0819 -7.20205 13.367 -32.3027 14.0819 -32.3026 -12.2336 GPRESSAVG: 3481400 -4.60602 -8.12654 15.9108 -6.55791 15.1033 -31.5128 13.5592 -33.3659 -13.9659 TIMING: 3481400 CPU: 11067.2, 0.00315133/step Wall: 11067.2, 0.00315133/step, 1.32934 hours remaining, 241.320312 MB of memory in use. ENERGY: 3481400 3985.3198 20692.0419 14503.2002 234.3268 -203616.2097 2456.7394 0.0000 0.0000 51952.1160 -109792.4657 298.5695 -161744.5816 -109440.6451 299.2922 148.8209 180.4698 760679.9699 -1.0029 -1.1562 PRESSURE: 3481600 107.705 17.3131 1.23886 17.3131 222.743 266.45 1.23874 266.45 -140.933 GPRESSURE: 3481600 164.219 -65.2034 135.378 19.9703 183.735 335.825 -105.199 299.853 -57.8815 PRESSAVG: 3481600 -47.6268 -20.4693 -3.86841 -20.4692 34.0574 2.36191 -3.86837 2.36194 11.4404 GPRESSAVG: 3481600 -46.6917 -19.161 -1.51411 -20.7706 33.224 1.35275 -7.07268 2.12489 11.337 TIMING: 3481600 CPU: 11067.9, 0.00315642/step Wall: 11067.9, 0.00315642/step, 1.33131 hours remaining, 241.320312 MB of memory in use. ENERGY: 3481600 4010.0512 20536.0141 14446.2144 218.1389 -203721.6073 2577.2391 0.0000 0.0000 52086.6099 -109847.3398 299.3425 -161933.9497 -109491.2148 299.0249 63.1716 96.6908 760639.7673 -0.7096 -0.7102 PRESSURE: 3481800 5.18115 63.1275 75.3717 63.1263 -316.872 38.1885 75.3707 38.1884 -231.429 GPRESSURE: 3481800 87.6291 79.3725 53.4218 99.6735 -267.32 10.8163 86.507 106.384 -273.636 PRESSAVG: 3481800 26.2109 10.0291 9.91438 10.0289 24.1852 40.6899 9.91436 40.6899 3.4306 GPRESSAVG: 3481800 26.5142 10.1563 6.6674 8.61093 23.1954 39.9798 11.2497 41.1272 3.98048 TIMING: 3481800 CPU: 11068.5, 0.00317354/step Wall: 11068.5, 0.00317354/step, 1.33835 hours remaining, 241.320312 MB of memory in use. ENERGY: 3481800 3982.3343 20458.0873 14447.5610 255.4298 -203467.3330 2466.2412 0.0000 0.0000 51843.5682 -110014.1111 297.9457 -161857.6793 -109650.1444 298.8289 -181.0398 -151.1091 759861.4157 17.9422 17.8967 PRESSURE: 3482000 -64.0235 -83.3248 -2.76428 -83.324 -33.3841 139.669 -2.76393 139.669 -91.8214 GPRESSURE: 3482000 -118.466 -12.2664 -17.7057 -47.1508 46.0286 200.401 82.5528 126.378 -48.1358 PRESSAVG: 3482000 37.5926 -8.92076 -34.4026 -8.92077 -14.7741 12.2856 -34.4026 12.2856 28.1192 GPRESSAVG: 3482000 36.6928 -7.04806 -34.0822 -7.24018 -14.3833 14.1799 -33.1883 11.3676 28.4854 TIMING: 3482000 CPU: 11069.1, 0.00317544/step Wall: 11069.1, 0.00317544/step, 1.33898 hours remaining, 241.320312 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: 3482000 4013.6496 20331.3006 14415.4952 245.9438 -203193.5743 2331.1484 0.0000 0.0000 51929.0378 -109926.9990 298.4369 -161856.0367 -109561.5471 298.5602 -63.0763 -40.1911 759248.4855 16.9793 16.9316 PRESSURE: 3482200 435.082 -54.3893 -31.7132 -54.3898 -139.04 -76.3742 -31.7136 -76.3742 205.062 GPRESSURE: 3482200 446.376 -14.4317 -23.5912 -4.25196 -22.5124 -94.6491 2.8094 8.43045 177.74 PRESSAVG: 3482200 66.7173 -7.31879 -22.6943 -7.31882 -33.3367 -48.6694 -22.6942 -48.6693 -23.5568 GPRESSAVG: 3482200 66.8195 -10.1202 -25.2711 -7.69622 -32.5832 -49.1733 -20.7552 -48.324 -24.1264 TIMING: 3482200 CPU: 11069.8, 0.00317204/step Wall: 11069.8, 0.00317204/step, 1.33737 hours remaining, 241.320312 MB of memory in use. ENERGY: 3482200 4049.9112 20380.3740 14464.8273 241.3343 -203340.2250 2514.5836 0.0000 0.0000 51915.9602 -109773.2346 298.3617 -161689.1947 -109412.6056 298.5808 167.0349 200.5344 758765.0233 3.2746 3.3700 PRESSURE: 3482400 85.4784 70.1233 -109.853 70.1227 -187.519 34.4619 -109.853 34.4617 -223.436 GPRESSURE: 3482400 67.698 221.338 -141.937 85.8645 -159.293 66.0501 -32.7804 -2.33432 -134.521 PRESSAVG: 3482400 54.9316 21.1305 -10.831 21.1305 -27.1211 19.8164 -10.831 19.8164 18.6163 GPRESSAVG: 3482400 57.5104 23.7582 -8.57319 20.468 -29.7084 19.9835 -13.1989 17.8595 18.9399 TIMING: 3482400 CPU: 11070.4, 0.0031446/step Wall: 11070.4, 0.0031446/step, 1.32563 hours remaining, 241.320312 MB of memory in use. ENERGY: 3482400 3979.1427 20477.3183 14465.1926 258.5386 -203583.7926 2378.9752 0.0000 0.0000 52246.3484 -109778.2768 300.2605 -162024.6252 -109409.1748 298.9656 -108.4921 -75.3721 759270.0280 15.4756 15.5806 PRESSURE: 3482600 341.287 5.16662 152.432 5.16635 107.235 75.3515 152.431 75.3509 461.451 GPRESSURE: 3482600 329.648 -36.8178 275.119 -64.8672 144.854 -80.4329 59.7094 10.181 506.866 PRESSAVG: 3482600 29.6077 2.44344 -31.11 2.4435 -25.7771 -39.5009 -31.1101 -39.5009 -3.31614 GPRESSAVG: 3482600 27.4755 -1.44131 -30.7547 4.48102 -25.2325 -41.2814 -30.0639 -36.795 -2.32871 TIMING: 3482600 CPU: 11071, 0.00318519/step Wall: 11071, 0.00318519/step, 1.34256 hours remaining, 241.320312 MB of memory in use. ENERGY: 3482600 3908.4611 20376.0993 14458.0941 253.1379 -203414.2781 2530.0128 0.0000 0.0000 52012.7292 -109875.7437 298.9179 -161888.4729 -109504.5015 298.7492 303.3243 327.1230 760960.0796 0.1715 -0.0286 PRESSURE: 3482800 142.612 -10.7004 83.7862 -10.7002 63.8416 -70.8381 83.7858 -70.837 10.1436 GPRESSURE: 3482800 216.545 -86.1629 55.5249 61.688 118.053 -43.1219 206.931 8.34739 -46.3169 PRESSAVG: 3482800 1.38072 2.5542 -6.59433 2.55424 -20.6464 36.6927 -6.59434 36.6926 14.5105 GPRESSAVG: 3482800 2.58177 5.33412 -7.64408 2.45085 -21.6109 37.0402 -6.18236 36.6987 13.4167 TIMING: 3482800 CPU: 11071.7, 0.00316375/step Wall: 11071.7, 0.00316375/step, 1.33335 hours remaining, 241.320312 MB of memory in use. ENERGY: 3482800 3923.5534 20563.3427 14498.7720 236.2148 -203256.2985 2298.7173 0.0000 0.0000 52012.0469 -109723.6513 298.9139 -161735.6982 -109362.8152 298.7750 72.1992 96.0937 761404.8713 -1.5851 -1.8708 PRESSURE: 3483000 -178.466 192.603 -82.0382 192.602 -115.964 380.168 -82.0382 380.169 -426.863 GPRESSURE: 3483000 -163.178 145.19 -24.4052 158.616 15.1898 275.573 -120.079 510.778 -461.993 PRESSAVG: 3483000 41.2936 -23.4828 -9.07871 -23.4828 19.9541 50.3297 -9.07876 50.3297 -28.0224 GPRESSAVG: 3483000 40.3749 -22.4329 -8.05679 -25.4899 20.7306 50.1156 -9.5511 51.2468 -27.4892 TIMING: 3483000 CPU: 11072.3, 0.00315425/step Wall: 11072.3, 0.00315425/step, 1.32917 hours remaining, 241.320312 MB of memory in use. ENERGY: 3483000 4048.9162 20511.2719 14511.8625 238.2606 -203105.3867 2164.1038 0.0000 0.0000 51957.8395 -109673.1323 298.6024 -161630.9718 -109309.7361 299.3975 -240.4309 -203.3272 761523.1622 11.0751 11.2055 PRESSURE: 3483200 388.682 155.927 -24.4994 155.927 45.8238 112.332 -24.4995 112.333 18.7873 GPRESSURE: 3483200 456.536 60.0881 -33.0037 89.854 10.4827 141.36 -12.4166 -9.92683 84.4212 PRESSAVG: 3483200 25.3539 5.9708 -36.4713 5.97079 16.2964 19.1005 -36.4713 19.1005 16.2869 GPRESSAVG: 3483200 26.1478 7.26314 -35.8673 5.98925 15.6891 20.0141 -37.6102 18.7633 15.9778 TIMING: 3483200 CPU: 11072.9, 0.00315766/step Wall: 11072.9, 0.00315766/step, 1.33043 hours remaining, 241.320312 MB of memory in use. ENERGY: 3483200 3937.2326 20562.6753 14467.8110 238.6649 -203550.1508 2648.9230 0.0000 0.0000 51956.5291 -109738.3150 298.5949 -161694.8441 -109383.2015 298.7036 151.0977 183.8132 759760.9230 19.3124 19.2716 PRESSURE: 3483400 -202.741 -47.5192 193.795 -47.5184 -96.4213 -129.889 193.794 -129.888 -64.2651 GPRESSURE: 3483400 -91.671 50.2502 94.425 -11.2125 -97.5113 -70.1749 95.9186 -140.855 -81.4577 PRESSAVG: 3483400 28.1318 -4.75434 -33.758 -4.75438 -20.5327 27.7422 -33.758 27.7421 -0.642606 GPRESSAVG: 3483400 28.4506 -5.31276 -34.4573 -3.42864 -19.6642 27.2135 -33.7713 25.2763 -1.81808 TIMING: 3483400 CPU: 11073.6, 0.00315985/step Wall: 11073.6, 0.00315985/step, 1.33118 hours remaining, 241.320312 MB of memory in use. ENERGY: 3483400 3951.6742 20208.3146 14496.3119 241.5691 -203462.5130 2449.3347 0.0000 0.0000 52311.6642 -109803.6443 300.6359 -162115.3085 -109431.9656 298.8496 -121.1425 -90.2133 760983.2739 2.3188 2.3228 PRESSURE: 3483600 40.0063 209.181 159.033 209.182 -260.91 52.7049 159.033 52.7057 -15.7059 GPRESSURE: 3483600 13.702 133.846 123.179 206.52 -161.974 91.2958 229.522 -119.376 -4.82426 PRESSAVG: 3483600 -2.4879 -0.912502 -23.557 -0.912526 31.022 11.4569 -23.5571 11.4569 13.0413 GPRESSAVG: 3483600 -2.69163 -3.42226 -24.7962 -1.44836 31.0744 13.1978 -23.6511 13.5776 12.9702 TIMING: 3483600 CPU: 11074.2, 0.00318424/step Wall: 11074.2, 0.00318424/step, 1.34127 hours remaining, 241.320312 MB of memory in use. ENERGY: 3483600 3965.2153 20363.0707 14446.9431 231.7320 -203208.8210 2421.8628 0.0000 0.0000 52141.8616 -109638.1353 299.6600 -161779.9970 -109273.2626 299.2806 -78.8698 -51.0321 761335.3196 13.8584 13.7843 PRESSURE: 3483800 63.7418 -152.555 -27.1814 -152.556 210.087 -179.612 -27.1816 -179.614 78.6982 GPRESSURE: 3483800 152.534 -93.9563 -13.2855 -188.109 186.447 -34.6988 -15.0222 -198.024 97.1353 PRESSAVG: 3483800 -24.7686 -25.6906 -2.14504 -25.6906 -18.0753 -18.4176 -2.14503 -18.4177 46.4947 GPRESSAVG: 3483800 -25.0755 -24.7411 -1.83306 -27.0156 -17.9471 -18.6611 -1.70593 -18.4949 46.9035 TIMING: 3483800 CPU: 11074.8, 0.00317774/step Wall: 11074.8, 0.00317774/step, 1.33836 hours remaining, 241.320312 MB of memory in use. ENERGY: 3483800 3953.7099 20492.0258 14443.3644 248.7910 -203369.6269 2382.1359 0.0000 0.0000 51948.7879 -109900.8120 298.5504 -161849.5999 -109548.8399 298.5983 117.5091 145.3724 759964.7517 1.2169 1.2936 PRESSURE: 3484000 -82.701 -1.30445 -119.383 -1.30446 51.0098 -25.498 -119.384 -25.4984 -311.453 GPRESSURE: 3484000 -81.5434 16.9297 -135.765 93.6529 158.492 -33.7113 -74.263 -165.356 -322.552 PRESSAVG: 3484000 -0.0746473 13.4321 -15.3804 13.4321 -13.7513 -50.9257 -15.3804 -50.9257 -10.0349 GPRESSAVG: 3484000 -0.0516465 14.904 -13.9375 12.7895 -14.0138 -50.8459 -14.778 -52.1911 -9.58507 TIMING: 3484000 CPU: 11075.5, 0.00316891/step Wall: 11075.5, 0.00316891/step, 1.33446 hours remaining, 241.320312 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: 3484000 4019.6156 20501.2203 14445.2426 238.5486 -203377.6743 2445.4045 0.0000 0.0000 52025.4308 -109702.2118 298.9909 -161727.6426 -109341.1878 299.0974 -114.3815 -81.8679 759381.9220 -7.9536 -7.8835 PRESSURE: 3484200 35.3588 -148.917 -73.9632 -148.917 150.128 -79.2098 -73.9624 -79.2103 -129.185 GPRESSURE: 3484200 45.9381 -171.325 -181.3 -112.676 194.45 -151.47 -148.431 -21.7791 -100.949 PRESSAVG: 3484200 15.1048 -18.8546 -3.5388 -18.8547 -17.7057 39.3475 -3.5388 39.3475 -21.6354 GPRESSAVG: 3484200 15.1505 -19.9586 -4.88205 -17.5466 -17.6866 37.6556 -4.63872 42.4123 -21.2428 TIMING: 3484200 CPU: 11076.1, 0.00317875/step Wall: 11076.1, 0.00317875/step, 1.33843 hours remaining, 241.320312 MB of memory in use. ENERGY: 3484200 3956.2393 20570.2313 14501.1020 235.7019 -203378.7653 2424.0460 0.0000 0.0000 52177.9728 -109513.4719 299.8675 -161691.4447 -109151.4700 299.2437 18.7672 46.4798 760360.7671 -8.0787 -7.9263 LDB: ============= START OF LOAD BALANCING ============== 11088.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11088.6 LDB: =============== DONE WITH MIGRATION ================ 11088.6 LDB: ============= START OF LOAD BALANCING ============== 11088.9 LDB: Largest compute 7072 load 0.035797 is 18.3% of average load 0.195369 LDB: Average compute 0.004396 is 2.2% of average load 0.195369 LDB: TIME 11088.9 LOAD: AVG 0.195369 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.539 MB LDB: TIME 11088.9 LOAD: AVG 0.195369 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.633 MB LDB: TIME 11088.9 LOAD: AVG 0.195369 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.633 MB LDB: ============== END OF LOAD BALANCING =============== 11088.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11088.9 PRESSURE: 3484400 410.958 -114.437 55.2154 -114.436 319.966 50.7381 55.2154 50.738 -2.64584 GPRESSURE: 3484400 440.518 -27.2528 22.1248 -168.698 318.618 95.1486 162.135 -0.0496498 54.0665 PRESSAVG: 3484400 -24.3676 21.4184 -44.7783 21.4184 42.1867 15.302 -44.7783 15.3021 8.89019 GPRESSAVG: 3484400 -24.265 22.0373 -44.56 21.0648 42.2132 14.0085 -44.8021 13.9128 8.8737 TIMING: 3484400 CPU: 11076.8, 0.00325896/step Wall: 11076.8, 0.00325896/step, 1.37202 hours remaining, 239.324219 MB of memory in use. ENERGY: 3484400 4002.6225 20360.2046 14539.6847 231.7664 -203071.3673 2233.3254 0.0000 0.0000 51974.6500 -109729.1137 298.6990 -161703.7636 -109365.4438 299.0631 242.7591 271.0674 758505.4180 8.9031 8.9406 PRESSURE: 3484600 -429.983 50.2565 -252.75 50.2569 -125.055 -38.9257 -252.749 -38.9255 126.344 GPRESSURE: 3484600 -346.885 18.5743 -131.521 -30.4759 -144.814 40.7644 -140.919 -169.706 158.17 PRESSAVG: 3484600 54.1182 -50.8921 -38.4153 -50.892 -28.2605 30.5753 -38.4153 30.5753 -4.61201 GPRESSAVG: 3484600 54.6409 -49.9234 -37.6795 -51.2753 -28.7657 31.6477 -36.8088 31.6829 -4.466 TIMING: 3484600 CPU: 11077.4, 0.00319249/step Wall: 11077.4, 0.00319249/step, 1.34386 hours remaining, 239.324219 MB of memory in use. ENERGY: 3484600 3978.0879 20425.1219 14419.8816 255.6760 -202894.5317 2192.5756 0.0000 0.0000 51998.0322 -109625.1564 298.8334 -161623.1887 -109265.2779 299.0204 -142.8983 -111.1763 760025.7413 7.0819 7.1364 PRESSURE: 3484800 415.354 -113.615 -21.873 -113.615 309.617 82.1472 -21.874 82.1463 717.3 GPRESSURE: 3484800 479.643 -141.807 14.224 -121.597 355.556 101.034 -53.0216 71.545 700.586 PRESSAVG: 3484800 14.1344 8.97069 -48.9457 8.97072 11.0868 -36.5209 -48.9457 -36.5209 6.26894 GPRESSAVG: 3484800 12.9647 6.65205 -49.1013 10.2214 12.2415 -34.8594 -51.7795 -37.5727 6.42597 TIMING: 3484800 CPU: 11078, 0.0031863/step Wall: 11078, 0.0031863/step, 1.34108 hours remaining, 239.324219 MB of memory in use. ENERGY: 3484800 3954.9941 20363.9220 14502.6564 255.4834 -203419.1446 2670.5545 0.0000 0.0000 52045.0571 -109626.4771 299.1037 -161671.5342 -109260.2451 298.8434 480.7569 511.9282 757889.1451 10.4967 10.5441 PRESSURE: 3485000 -15.8073 89.0541 144.109 89.0541 -245.261 -174.643 144.109 -174.644 -43.8871 GPRESSURE: 3485000 95.4135 -22.8428 95.0797 54.4269 -304.701 -152.678 78.8199 -98.6232 0.338939 PRESSAVG: 3485000 -10.773 -12.4986 -12.7387 -12.4986 -0.610425 33.2658 -12.7388 33.2658 -6.78757 GPRESSAVG: 3485000 -10.8224 -12.694 -13.3088 -13.8599 -0.318155 32.0839 -11.5829 31.692 -6.637 TIMING: 3485000 CPU: 11078.7, 0.00320658/step Wall: 11078.7, 0.00320658/step, 1.34944 hours remaining, 239.324219 MB of memory in use. ENERGY: 3485000 3966.4894 20407.5573 14501.5523 231.3492 -203142.3687 2516.8761 0.0000 0.0000 51974.4647 -109544.0797 298.6980 -161518.5444 -109190.7134 299.7202 -101.6519 -69.6496 761901.4063 -6.0570 -5.9258 PRESSURE: 3485200 125.86 -27.7622 -33.8376 -27.763 91.176 -107.116 -33.8367 -107.117 122.537 GPRESSURE: 3485200 165.387 0.737271 -56.5857 32.7883 105.541 -39.1016 -14.1682 -10.9042 149.894 PRESSAVG: 3485200 -10.9225 4.20401 -16.4749 4.20407 -5.36708 49.5558 -16.4749 49.5557 -1.51135 GPRESSAVG: 3485200 -11.1077 6.67252 -15.0549 5.61902 -5.52742 51.752 -16.128 49.7437 -1.29905 TIMING: 3485200 CPU: 11079.3, 0.00319388/step Wall: 11079.3, 0.00319388/step, 1.34391 hours remaining, 239.324219 MB of memory in use. ENERGY: 3485200 3954.5914 20629.2754 14413.1921 236.5990 -203283.3705 2530.5393 0.0000 0.0000 52184.5439 -109334.6295 299.9053 -161519.1734 -108966.6864 299.5693 113.1912 140.2739 761270.4807 -5.9336 -5.9781 PRESSURE: 3485400 194.224 -58.1127 -169.776 -58.1128 109.5 33.4015 -169.775 33.4017 269.983 GPRESSURE: 3485400 189.902 69.6093 -167.238 -41.4876 128.235 71.3665 -106.104 45.8252 356.723 PRESSAVG: 3485400 37.4514 22.0429 -16.2574 22.043 -10.7865 2.47861 -16.2574 2.47851 -0.362858 GPRESSAVG: 3485400 37.7443 22.9256 -16.9587 21.0467 -11.0451 1.50156 -14.258 4.34897 -0.18984 TIMING: 3485400 CPU: 11080, 0.00317039/step Wall: 11080, 0.00317039/step, 1.33385 hours remaining, 239.324219 MB of memory in use. ENERGY: 3485400 3949.0374 20634.7235 14452.4721 234.4455 -203282.7137 2559.4987 0.0000 0.0000 52151.7286 -109300.8079 299.7167 -161452.5365 -108945.3083 299.8946 191.2360 224.9535 760892.4055 8.7674 8.8365 PRESSURE: 3485600 -271.955 134.377 -179.113 134.377 -44.3489 -210.225 -179.114 -210.225 -208.668 GPRESSURE: 3485600 -192.878 87.3619 -73.9067 75.8332 -7.51564 -142.571 -239.245 -173.34 -198.122 PRESSAVG: 3485600 55.9599 -7.75536 -9.02457 -7.75536 -30.9283 -4.46645 -9.02462 -4.46649 11.5067 GPRESSAVG: 3485600 55.9738 -7.81382 -8.30581 -7.42278 -31.0046 -5.01564 -9.39801 -6.3845 12.27 TIMING: 3485600 CPU: 11080.6, 0.0031714/step Wall: 11080.6, 0.0031714/step, 1.3341 hours remaining, 239.324219 MB of memory in use. ENERGY: 3485600 3926.6027 20437.3895 14438.6314 249.4137 -203001.9164 2167.5502 0.0000 0.0000 52455.9894 -109326.3394 301.4653 -161782.3288 -108953.5361 299.9036 -174.9907 -132.8383 761865.9182 12.1794 12.4130 PRESSURE: 3485800 100.604 -73.1286 -64.0061 -73.1289 -52.263 -118.986 -64.0055 -118.985 -97.8897 GPRESSURE: 3485800 112.627 -51.9927 -93.5404 -133.661 103.509 -34.0911 -125.636 -21.4081 -173.258 PRESSAVG: 3485800 12.6194 11.5956 -8.98286 11.5955 -34.0357 24.3319 -8.98283 24.3318 -6.94725 GPRESSAVG: 3485800 13.1278 10.2433 -9.58275 9.86346 -32.5988 23.292 -10.7995 23.5834 -9.27634 TIMING: 3485800 CPU: 11081.2, 0.00317326/step Wall: 11081.2, 0.00317326/step, 1.33471 hours remaining, 239.324219 MB of memory in use. ENERGY: 3485800 3961.6884 20484.6547 14497.3699 235.5906 -203488.8838 2815.8196 0.0000 0.0000 52277.2838 -109216.4768 300.4383 -161493.7606 -108852.4186 300.0048 -16.5163 14.2927 760764.1823 -9.4545 -9.5824 PRESSURE: 3486000 -288.029 59.1257 63.1734 59.125 -5.03506 143.15 63.1733 143.151 -68.7067 GPRESSURE: 3486000 -248.627 17.1984 -55.9467 58.3375 -6.39145 151.173 115.705 77.0603 -48.5001 PRESSAVG: 3486000 6.36785 27.5271 -6.4762 27.5271 -10.7573 -17.2431 -6.47625 -17.2432 0.885621 GPRESSAVG: 3486000 5.13719 26.8875 -8.27074 28.5001 -10.917 -15.0754 -5.94861 -16.4696 2.32659 TIMING: 3486000 CPU: 11081.9, 0.00318912/step Wall: 11081.9, 0.00318912/step, 1.3412 hours remaining, 239.324219 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: 3486000 3879.6095 20632.0890 14510.3225 229.4639 -203031.2243 2152.2754 0.0000 0.0000 52330.0803 -109297.3838 300.7417 -161627.4641 -108920.6186 299.7895 -120.5901 -101.1730 761256.5598 -1.1679 -1.1511 PRESSURE: 3486200 128.031 66.2907 -116.718 66.2915 10.6493 -45.053 -116.718 -45.0527 -44.5944 GPRESSURE: 3486200 139.417 90.61 -142.352 47.6589 11.0635 26.6445 -95.2284 -179.734 10.7743 PRESSAVG: 3486200 22.624 19.5914 17.5017 19.5914 38.3525 -17.6801 17.5017 -17.68 -25.9886 GPRESSAVG: 3486200 23.4423 21.3329 20.1195 19.2065 36.5552 -17.8408 15.8025 -19.2917 -25.4171 TIMING: 3486200 CPU: 11082.5, 0.00317006/step Wall: 11082.5, 0.00317006/step, 1.33301 hours remaining, 239.324219 MB of memory in use. ENERGY: 3486200 4004.1158 20563.5976 14433.7767 242.7937 -203523.7820 2612.9983 0.0000 0.0000 52418.1352 -109248.3648 301.2477 -161666.5000 -108886.7595 299.6848 31.3619 53.7517 760119.7471 11.6626 11.5268 PRESSURE: 3486400 283.728 54.2755 -170.187 54.2754 359.122 -6.20961 -170.188 -6.20974 -88.9339 GPRESSURE: 3486400 317.279 -24.5786 -186.821 48.6833 423.704 95.1929 -130.228 -17.219 -102.242 PRESSAVG: 3486400 7.58829 4.92037 -28.6086 4.92039 -8.99297 44.6435 -28.6086 44.6434 6.11227 GPRESSAVG: 3486400 7.82024 2.73589 -29.7469 5.70737 -8.90298 44.5837 -28.0318 46.1284 5.42868 TIMING: 3486400 CPU: 11083.1, 0.00320053/step Wall: 11083.1, 0.00320053/step, 1.34564 hours remaining, 239.324219 MB of memory in use. ENERGY: 3486400 3988.7619 20569.2526 14500.1151 247.0513 -203081.7112 2382.7293 0.0000 0.0000 52306.4608 -109087.3402 300.6059 -161393.8010 -108732.6589 300.0907 184.6387 212.9136 761858.3234 1.5692 1.4486 PRESSURE: 3486600 -39.3493 191.181 99.2829 191.18 -117.963 57.6093 99.2822 57.6089 259.024 GPRESSURE: 3486600 -3.21453 90.3347 104.764 110.987 -98.18 -37.5414 203.444 51.101 290.397 PRESSAVG: 3486600 41.818 23.475 27.195 23.475 -55.0328 -1.84493 27.195 -1.84494 28.998 GPRESSAVG: 3486600 41.5719 25.1482 26.8321 19.8107 -54.9496 -2.92997 29.6917 -1.95247 29.1513 TIMING: 3486600 CPU: 11083.8, 0.0031706/step Wall: 11083.8, 0.0031706/step, 1.33288 hours remaining, 239.324219 MB of memory in use. ENERGY: 3486600 3949.5612 20422.0616 14518.6409 239.3812 -203330.8975 2592.1612 0.0000 0.0000 52440.8462 -109168.2452 301.3783 -161609.0915 -108797.1490 299.7770 33.9041 63.0007 762652.1275 5.2610 5.2579 PRESSURE: 3486800 -193.876 172.197 111.093 172.198 -522.004 -57.3045 111.092 -57.3038 -187.06 GPRESSURE: 3486800 -257.4 -2.28339 32.8667 85.5934 -378.395 21.2808 39.9508 -173.37 -175.707 PRESSAVG: 3486800 21.8405 30.2098 24.3852 30.2098 -9.73857 -10.0096 24.3853 -10.0096 -12.6775 GPRESSAVG: 3486800 20.3692 27.7802 26.926 31.4906 -8.50843 -10.0129 20.6144 -9.77492 -12.4209 TIMING: 3486800 CPU: 11084.4, 0.00317321/step Wall: 11084.4, 0.00317321/step, 1.33381 hours remaining, 239.324219 MB of memory in use. ENERGY: 3486800 4105.0214 20638.0410 14537.2601 242.1577 -202572.2098 2132.4248 0.0000 0.0000 51788.8751 -109128.4298 297.6314 -160917.3048 -108790.4972 299.7540 -300.9799 -270.5008 761833.3678 -0.1919 -0.1867 PRESSURE: 3487000 193.013 -130.516 -60.1645 -130.516 83.7912 -26.2399 -60.1653 -26.24 466.142 GPRESSURE: 3487000 209.121 -60.3556 -44.7381 -114.086 115.978 -13.169 -10.398 41.4327 499.005 PRESSAVG: 3487000 25.9363 -3.80814 -26.3255 -3.80814 -44.4215 -8.04427 -26.3255 -8.04429 2.27333 GPRESSAVG: 3487000 27.5985 -2.86789 -27.5463 -2.53554 -45.6436 -8.38943 -25.6737 -7.8763 2.41605 TIMING: 3487000 CPU: 11085, 0.0031606/step Wall: 11085, 0.0031606/step, 1.32833 hours remaining, 239.324219 MB of memory in use. ENERGY: 3487000 3876.5575 20509.4079 14447.7600 264.0875 -203271.1747 2422.0945 0.0000 0.0000 52465.6670 -109285.6003 301.5209 -161751.2673 -108923.9917 299.5058 247.6487 274.7013 759113.1137 -5.4040 -5.2097 PRESSURE: 3487200 -150.039 -47.9606 173.785 -47.961 -211.333 -53.8511 173.785 -53.8523 53.4025 GPRESSURE: 3487200 -114.147 -20.4538 160.807 -159.272 -183.95 -78.3945 174.054 -60.0605 51.3941 PRESSAVG: 3487200 52.7977 -10.9175 -4.45821 -10.9175 -48.8104 -2.82981 -4.45817 -2.82971 -0.784811 GPRESSAVG: 3487200 52.7107 -9.64089 -5.4054 -9.67688 -49.2499 -3.15 -2.49188 -1.09001 -0.451508 TIMING: 3487200 CPU: 11085.7, 0.00316974/step Wall: 11085.7, 0.00316974/step, 1.332 hours remaining, 239.324219 MB of memory in use. ENERGY: 3487200 3910.9885 20572.2940 14574.6642 248.3935 -203370.6837 2490.2136 0.0000 0.0000 52204.5917 -109369.5383 300.0205 -161574.1300 -109010.4847 299.6596 -102.6564 -82.2341 761069.9438 1.0675 1.0031 PRESSURE: 3487400 -78.276 90.6582 -73.6465 90.6584 -216.042 189.414 -73.6469 189.414 116.486 GPRESSURE: 3487400 -13.2773 114.537 -148.329 1.35616 -142.432 191.873 -25.5696 86.5383 55.4831 PRESSAVG: 3487400 24.0154 7.90785 2.26227 7.90789 -21.4087 10.3469 2.26229 10.3469 23.1063 GPRESSAVG: 3487400 23.4594 7.59722 2.2262 6.10084 -21.3858 9.92359 0.873069 10.2699 23.393 TIMING: 3487400 CPU: 11086.3, 0.00317039/step Wall: 11086.3, 0.00317039/step, 1.33209 hours remaining, 239.324219 MB of memory in use. ENERGY: 3487400 3982.6449 20510.5421 14480.0822 256.1801 -203319.0901 2461.9109 0.0000 0.0000 52114.9555 -109512.7743 299.5054 -161627.7298 -109151.4112 299.5468 -59.2776 -33.4087 760134.1304 8.5710 8.4889 PRESSURE: 3487600 -140.372 158.168 -105.967 158.167 38.9448 63.503 -105.967 63.5028 -32.5889 GPRESSURE: 3487600 -103.984 139.806 -89.6714 144.031 94.9301 36.5689 99.7701 30.2518 -31.8813 PRESSAVG: 3487600 18.2479 22.9586 -5.61712 22.9585 -17.5492 47.0085 -5.61706 47.0084 -12.3787 GPRESSAVG: 3487600 18.675 21.8693 -6.48449 22.2323 -16.662 48.2274 -2.96893 44.8169 -13.2941 TIMING: 3487600 CPU: 11086.9, 0.00316903/step Wall: 11086.9, 0.00316903/step, 1.33134 hours remaining, 239.324219 MB of memory in use. ENERGY: 3487600 3951.4600 20335.6170 14556.4795 229.5455 -203717.4664 2624.2189 0.0000 0.0000 52361.2336 -109658.9120 300.9207 -162020.1456 -109289.2811 299.1582 -44.6720 -13.6450 758776.9984 -3.8933 -3.7604 PRESSURE: 3487800 -19.0418 -285.306 174.759 -285.307 17.0641 68.6254 174.758 68.6264 -154.758 GPRESSURE: 3487800 17.9228 -241.499 152.298 -344.346 35.5543 126.439 45.841 -45.9081 -132.232 PRESSAVG: 3487800 -74.0158 -14.8593 45.8918 -14.8592 59.009 55.1982 45.8918 55.1982 -4.4032 GPRESSAVG: 3487800 -74.4103 -15.0112 46.5013 -13.6889 59.3079 55.3788 43.9513 55.619 -4.33451 TIMING: 3487800 CPU: 11087.6, 0.00313675/step Wall: 11087.6, 0.00313675/step, 1.31761 hours remaining, 239.324219 MB of memory in use. ENERGY: 3487800 3871.8021 20615.3412 14539.9464 226.0321 -203007.1315 2238.0501 0.0000 0.0000 51892.8258 -109623.1337 298.2288 -161515.9596 -109269.0642 299.2469 -52.2454 -26.2517 762852.2774 -6.4700 -6.4790 PRESSURE: 3488000 100.447 -13.1731 171.973 -13.1735 -178.13 12.1557 171.973 12.1547 -508.729 GPRESSURE: 3488000 156.797 -5.9733 130.547 10.7606 -134.574 -42.6 -44.8843 -67.6895 -508.475 PRESSAVG: 3488000 66.3991 -9.65444 -31.5496 -9.65444 -16.9913 23.4905 -31.5497 23.4904 -2.4925 GPRESSAVG: 3488000 66.6547 -8.75586 -32.3777 -8.13378 -16.4219 24.8673 -31.31 23.6981 -2.4578 TIMING: 3488000 CPU: 11088.2, 0.00315787/step Wall: 11088.2, 0.00315787/step, 1.3263 hours remaining, 239.324219 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: 3488000 3976.2332 20540.3443 14574.4571 241.4845 -203004.1894 2185.4326 0.0000 0.0000 52085.6004 -109400.6373 299.3367 -161486.2378 -109039.8133 299.0532 -195.4708 -162.0839 761176.7963 15.6384 15.9250 PRESSURE: 3488200 22.1689 36.8287 124.87 36.8286 137.012 -69.7098 124.871 -69.7102 121.09 GPRESSURE: 3488200 3.95973 107.53 105.172 -38.5872 217.022 -103.053 163.818 39.625 164.424 PRESSAVG: 3488200 57.4761 -18.1387 -7.60916 -18.1387 22.3308 -11.8273 -7.60917 -11.8273 -17.6355 GPRESSAVG: 3488200 57.9875 -18.9344 -7.08389 -21.4775 20.6968 -13.4373 -5.91776 -10.6146 -16.9506 TIMING: 3488200 CPU: 11088.8, 0.00317564/step Wall: 11088.8, 0.00317564/step, 1.33359 hours remaining, 239.324219 MB of memory in use. ENERGY: 3488200 3938.5247 20594.5758 14553.7327 253.5467 -203408.9464 2559.9636 0.0000 0.0000 51961.3257 -109547.2771 298.6225 -161508.6029 -109188.6678 299.5104 93.4238 128.4688 759379.9672 20.7238 20.5779 LDB: ============= START OF LOAD BALANCING ============== 11101.3 LDB: ============== END OF LOAD BALANCING =============== 11101.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11101.3 LDB: ============= START OF LOAD BALANCING ============== 11101.6 LDB: Largest compute 7072 load 0.035958 is 18.4% of average load 0.195312 LDB: Average compute 0.004379 is 2.2% of average load 0.195312 LDB: TIME 11101.6 LOAD: AVG 0.195312 MAX 0.214249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 11101.6 LOAD: AVG 0.195312 MAX 0.214249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 11101.6 LOAD: AVG 0.195312 MAX 0.214249 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 11101.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11101.6 PRESSURE: 3488400 216.91 -40.6982 28.309 -40.6988 -39.2179 -156.15 28.3087 -156.151 65.2517 GPRESSURE: 3488400 188.172 -47.9925 81.9871 -121.011 60.244 -90.3617 18.9684 -155.083 93.5841 PRESSAVG: 3488400 -6.86918 -15.6698 -33.7567 -15.6699 12.2186 -39.7616 -33.7567 -39.7616 -5.12079 GPRESSAVG: 3488400 -7.65131 -15.6746 -31.1122 -13.1142 13.1385 -40.4718 -35.5057 -40.9824 -4.95792 TIMING: 3488400 CPU: 11089.5, 0.00322334/step Wall: 11089.5, 0.00322334/step, 1.35344 hours remaining, 241.433594 MB of memory in use. ENERGY: 3488400 3991.6006 20587.6886 14496.1115 266.6385 -203335.3357 2456.0558 0.0000 0.0000 52007.1989 -109530.0419 298.8861 -161537.2407 -109161.9381 298.9317 80.9813 114.0000 761038.6420 0.0762 0.1764 PRESSURE: 3488600 -56.2469 9.44455 31.0072 9.44488 -488.033 -96.5888 31.0087 -96.5876 -66.5834 GPRESSURE: 3488600 -66.133 -2.92553 -8.31923 46.9902 -424.269 -68.7461 92.1345 -19.6982 -21.8166 PRESSAVG: 3488600 -16.2609 -16.1809 -18.4761 -16.1809 6.15612 -3.14023 -18.476 -3.14028 15.7386 GPRESSAVG: 3488600 -16.36 -16.6176 -20.046 -16.1671 7.45539 -1.20337 -20.0867 -3.72293 14.548 TIMING: 3488600 CPU: 11090.1, 0.00313767/step Wall: 11090.1, 0.00313767/step, 1.3173 hours remaining, 241.500000 MB of memory in use. ENERGY: 3488600 4033.3805 20505.7808 14487.5499 230.2237 -203356.5624 2329.7686 0.0000 0.0000 52264.1360 -109505.7229 300.3627 -161769.8589 -109152.4433 299.5474 -203.6212 -170.7395 760721.9856 1.8779 1.8811 PRESSURE: 3488800 -356.01 -182.403 -146.881 -182.404 -43.3193 17.6683 -146.881 17.6698 -309.868 GPRESSURE: 3488800 -295.481 -80.0121 -234.48 -69.1759 20.61 -5.16879 -22.3072 77.354 -331.991 PRESSAVG: 3488800 25.0361 -32.3183 -9.07856 -32.3184 -18.4697 20.6158 -9.07866 20.6158 20.694 GPRESSAVG: 3488800 24.5549 -31.6634 -10.1592 -31.7056 -17.9486 20.451 -6.94656 21.1698 20.4265 TIMING: 3488800 CPU: 11090.7, 0.00314097/step Wall: 11090.7, 0.00314097/step, 1.31851 hours remaining, 241.500000 MB of memory in use. ENERGY: 3488800 3931.1493 20434.7480 14535.0378 252.5359 -203227.3520 2514.6435 0.0000 0.0000 52239.2757 -109319.9619 300.2198 -161559.2375 -108951.4704 299.1248 -236.3993 -202.2874 760856.3323 9.0868 9.0109 PRESSURE: 3489000 -87.6573 33.4081 -144.227 33.4081 398.387 30.633 -144.227 30.633 189.053 GPRESSURE: 3489000 85.7054 57.3208 -195.432 50.1114 283.614 48.0956 -68.9958 67.2947 229.668 PRESSAVG: 3489000 12.7066 -28.831 -34.183 -28.8311 -22.6239 20.8363 -34.183 20.8362 -5.36157 GPRESSAVG: 3489000 14.3856 -27.3933 -32.5131 -29.0806 -24.0369 19.0512 -33.501 20.7691 -5.91857 TIMING: 3489000 CPU: 11091.4, 0.00314186/step Wall: 11091.4, 0.00314186/step, 1.31871 hours remaining, 241.500000 MB of memory in use. ENERGY: 3489000 4031.6600 20307.7455 14541.8466 247.4285 -203455.0734 2725.7281 0.0000 0.0000 52136.5923 -109464.0723 299.6297 -161600.6647 -109099.6568 299.5799 166.5941 199.6625 760501.8150 -5.0930 -5.1899 PRESSURE: 3489200 111.321 14.8356 156.446 14.8354 391.52 -51.9856 156.445 -51.9839 272.49 GPRESSURE: 3489200 218.66 -13.2467 269.725 57.7527 340.039 -7.56232 32.8588 76.5746 337.357 PRESSAVG: 3489200 -25.1246 -69.0992 -29.4855 -69.0992 6.00795 -17.0915 -29.4854 -17.0915 -15.9534 GPRESSAVG: 3489200 -25.6921 -67.9579 -28.6393 -70.154 6.50282 -16.162 -31.0406 -16.9481 -15.7611 TIMING: 3489200 CPU: 11092, 0.00313992/step Wall: 11092, 0.00313992/step, 1.31772 hours remaining, 241.500000 MB of memory in use. ENERGY: 3489200 4026.0153 20433.7767 14462.5499 235.7463 -203365.7631 2726.6377 0.0000 0.0000 52031.1900 -109449.8472 299.0240 -161481.0372 -109084.9508 299.2377 258.4439 298.6855 760988.5231 -11.6900 -11.6501 PRESSURE: 3489400 107.327 -79.2266 -251.896 -79.2261 -94.1328 -89.1475 -251.896 -89.1468 -286.304 GPRESSURE: 3489400 132.96 -91.8089 -213.807 -151.206 -71.5278 -76.2285 -139.291 -144.444 -243.107 PRESSAVG: 3489400 -0.785362 -36.0308 -3.83417 -36.0308 49.7992 20.0822 -3.83417 20.0822 -14.7804 GPRESSAVG: 3489400 -1.24444 -37.1687 -5.05838 -36.1977 49.4321 21.0352 -5.50169 20.3307 -14.0079 TIMING: 3489400 CPU: 11092.6, 0.0031511/step Wall: 11092.6, 0.0031511/step, 1.32224 hours remaining, 241.500000 MB of memory in use. ENERGY: 3489400 3977.3082 20495.5343 14530.9909 248.4334 -202909.7226 2174.0426 0.0000 0.0000 52189.9848 -109293.4283 299.9366 -161483.4132 -108930.7417 299.2838 -91.0365 -60.5585 761673.9671 11.4111 11.3932 PRESSURE: 3489600 67.1569 -123.808 -108.899 -123.808 151.187 253.127 -108.899 253.127 -506.013 GPRESSURE: 3489600 165.524 -103.582 -103.651 -108.501 56.6152 217.698 47.4451 299.17 -437.942 PRESSAVG: 3489600 -17.942 -59.9282 -36.7856 -59.9282 18.06 -29.2636 -36.7856 -29.2635 5.51774 GPRESSAVG: 3489600 -19.033 -62.3279 -36.2026 -57.4455 19.1621 -29.3657 -35.0452 -28.479 5.65576 TIMING: 3489600 CPU: 11093.3, 0.00315437/step Wall: 11093.3, 0.00315437/step, 1.32343 hours remaining, 241.500000 MB of memory in use. ENERGY: 3489600 4045.6569 20619.4159 14604.2901 246.4899 -203202.2053 2427.1341 0.0000 0.0000 51811.6705 -109447.5479 297.7624 -161259.2184 -109092.2132 299.2199 -95.8897 -71.9343 761523.6368 1.8786 1.9283 PRESSURE: 3489800 -29.4016 14.1926 -42.1632 14.1924 -32.7782 36.8346 -42.1635 36.8336 448.953 GPRESSURE: 3489800 74.0523 91.679 -130.223 -101.512 -29.32 -37.6566 -85.2037 -82.6265 432.971 PRESSAVG: 3489800 -5.41113 -62.6066 4.35951 -62.6066 -0.645996 -31.5199 4.35952 -31.52 -15.261 GPRESSAVG: 3489800 -4.50754 -60.5841 3.42256 -64.7763 -1.54894 -31.6732 3.46116 -32.7682 -15.2553 TIMING: 3489800 CPU: 11093.9, 0.00314644/step Wall: 11093.9, 0.00314644/step, 1.31993 hours remaining, 241.500000 MB of memory in use. ENERGY: 3489800 4073.9929 20545.5831 14523.0441 249.0112 -203340.0346 2524.3844 0.0000 0.0000 51989.8542 -109434.1646 298.7864 -161424.0188 -109066.8551 299.1487 128.9245 159.2343 760975.0311 -7.1061 -7.1039 PRESSURE: 3490000 -140.31 -43.021 -12.9603 -43.0212 -77.4072 -253.962 -12.9599 -253.961 -252.088 GPRESSURE: 3490000 -118.312 66.1256 71.8636 -42.575 -45.4292 -220.671 -104.111 -89.8049 -198.576 PRESSAVG: 3490000 -17.8403 -32.4914 44.6591 -32.4914 -13.2025 -34.2581 44.6592 -34.2581 -24.0736 GPRESSAVG: 3490000 -18.4453 -31.9245 44.3611 -32.0647 -13.1106 -34.9112 46.498 -34.8565 -23.5048 TIMING: 3490000 CPU: 11094.5, 0.00313325/step Wall: 11094.5, 0.00313325/step, 1.31423 hours remaining, 241.500000 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: 3490000 4006.5729 20418.3606 14540.6055 250.6886 -203049.0042 2465.2883 0.0000 0.0000 51626.2959 -109741.1923 296.6970 -161367.4882 -109381.2872 298.7417 -156.6017 -120.7725 761539.0532 -18.3721 -18.3536 PRESSURE: 3490200 -14.6378 23.1869 309.659 23.1876 30.7938 128.601 309.659 128.601 97.9665 GPRESSURE: 3490200 1.9183 -42.0564 292.458 -5.66132 81.509 83.0202 302.615 52.6307 118.372 PRESSAVG: 3490200 -30.494 -32.5513 -23.1904 -32.5513 17.714 -32.6025 -23.1904 -32.6025 31.6918 GPRESSAVG: 3490200 -31.138 -34.3057 -21.5509 -32.7543 18.4858 -33.6218 -24.5668 -30.0257 31.511 TIMING: 3490200 CPU: 11095.1, 0.00314763/step Wall: 11095.1, 0.00314763/step, 1.32008 hours remaining, 241.500000 MB of memory in use. ENERGY: 3490200 3923.7272 20338.9108 14537.2300 231.6705 -203243.3086 2449.9960 0.0000 0.0000 51988.4877 -109773.2865 298.7786 -161761.7742 -109414.0628 298.0535 38.0409 67.2663 760873.0586 6.3039 6.2863 PRESSURE: 3490400 230.2 -57.7323 114.02 -57.7321 68.1954 116.005 114.02 116.004 303.038 GPRESSURE: 3490400 260.599 -111.394 115.537 -69.4011 35.5345 77.2088 126.647 31.7119 388.163 PRESSAVG: 3490400 81.1641 2.8028 5.79112 2.80277 -29.4447 17.6033 5.79107 17.6032 -12.5976 GPRESSAVG: 3490400 82.4454 3.44059 5.56654 2.74418 -30.6013 19.1766 7.38405 14.1953 -13.2729 TIMING: 3490400 CPU: 11095.8, 0.00314927/step Wall: 11095.8, 0.00314927/step, 1.32059 hours remaining, 241.500000 MB of memory in use. ENERGY: 3490400 3954.4832 20516.4703 14436.4844 238.3502 -203668.1274 2726.6266 0.0000 0.0000 52020.8843 -109774.8283 298.9647 -161795.7127 -109412.8647 298.7823 200.4777 228.0989 760477.2784 13.0406 12.8571 PRESSURE: 3490600 153.891 -368.188 -58.6986 -368.188 -171.291 105.609 -58.6998 105.61 214.888 GPRESSURE: 3490600 225.972 -294.777 -11.2367 -317.692 -109.401 109.727 -124.357 173.179 178.681 PRESSAVG: 3490600 64.9665 -4.5809 -5.07073 -4.58089 -53.1104 38.8326 -5.0707 38.8326 3.16758 GPRESSAVG: 3490600 64.4717 -5.62805 -4.14314 -6.4345 -52.7634 37.4684 -8.72764 41.6604 2.69678 TIMING: 3490600 CPU: 11096.4, 0.00317342/step Wall: 11096.4, 0.00317342/step, 1.33054 hours remaining, 241.500000 MB of memory in use. ENERGY: 3490600 3918.8977 20396.4444 14483.0401 242.9376 -203476.2169 2557.7752 0.0000 0.0000 52074.7247 -109802.3973 299.2742 -161877.1219 -109433.5362 298.1937 65.8293 98.4175 759786.2927 5.0079 4.8017 PRESSURE: 3490800 342.188 -247.165 -53.96 -247.164 115.046 217.051 -53.9593 217.051 187.033 GPRESSURE: 3490800 393.169 -289.932 -95.8995 -256.96 115.546 233.935 -122.368 215.279 212.974 PRESSAVG: 3490800 39.4666 -50.1744 6.18267 -50.1743 -19.0626 -16.7 6.18265 -16.7 -7.39451 GPRESSAVG: 3490800 40.0716 -48.4558 3.98986 -48.8894 -19.4836 -15.4893 7.93227 -19.3293 -7.33624 TIMING: 3490800 CPU: 11097, 0.00317714/step Wall: 11097, 0.00317714/step, 1.33193 hours remaining, 241.500000 MB of memory in use. ENERGY: 3490800 3904.4433 20450.4056 14532.0806 253.0394 -203698.1929 2666.4992 0.0000 0.0000 52037.9561 -109853.7687 299.0628 -161891.7248 -109487.0445 298.8883 214.7556 240.5633 759597.6685 4.3365 4.4173 PRESSURE: 3491000 -58.0482 -34.7334 456.578 -34.7334 -129.719 -236.953 456.578 -236.953 267.879 GPRESSURE: 3491000 6.20439 -70.3359 440.302 35.8301 -92.7733 -223.517 424.983 -307.602 266.813 PRESSAVG: 3491000 39.4557 -9.0875 -24.0917 -9.0875 -76.1717 64.7856 -24.0917 64.7855 -0.718634 GPRESSAVG: 3491000 38.2792 -9.44388 -23.2595 -8.10045 -75.6567 64.5184 -23.8535 64.5917 -0.353921 TIMING: 3491000 CPU: 11097.7, 0.00319976/step Wall: 11097.7, 0.00319976/step, 1.34123 hours remaining, 241.500000 MB of memory in use. ENERGY: 3491000 3952.3744 20442.6293 14444.2452 243.2955 -203263.7364 2463.6108 0.0000 0.0000 51837.6322 -109879.9491 297.9116 -161717.5813 -109508.8679 298.7462 26.7041 60.0815 760220.9771 -12.4782 -12.5771 PRESSURE: 3491200 -184.137 122.548 -38.4482 122.547 -34.4313 -166.105 -38.4486 -166.106 -321.591 GPRESSURE: 3491200 -69.4236 35.8715 -97.3682 80.4483 -20.26 -229.109 -85.2272 -156.698 -332.925 PRESSAVG: 3491200 25.1236 5.98039 -8.5359 5.98043 -12.9134 14.4782 -8.5359 14.4782 3.33684 GPRESSAVG: 3491200 25.7 5.4676 -8.79233 5.46846 -13.2077 13.9264 -8.79851 17.0207 2.78056 TIMING: 3491200 CPU: 11098.3, 0.00320554/step Wall: 11098.3, 0.00320554/step, 1.34348 hours remaining, 241.500000 MB of memory in use. ENERGY: 3491200 3981.8230 20480.8303 14431.6948 228.6093 -203299.6360 2342.3327 0.0000 0.0000 52005.1834 -109829.1626 298.8745 -161834.3460 -109463.4540 298.3791 -180.0530 -140.8694 761715.2949 5.1824 5.0910 PRESSURE: 3491400 353.588 33.6834 -26.9199 33.6837 232.687 -165.017 -26.919 -165.017 482.369 GPRESSURE: 3491400 352.873 -52.8633 -14.9462 -19.8375 283.181 -104.323 -53.2329 -124.253 507.749 PRESSAVG: 3491400 48.1634 -33.1311 -21.7899 -33.1311 -42.3961 -18.0158 -21.7899 -18.0159 3.4918 GPRESSAVG: 3491400 47.2609 -34.2615 -22.9202 -32.8482 -41.8085 -17.4138 -19.6728 -17.1888 3.48714 TIMING: 3491400 CPU: 11099, 0.00317878/step Wall: 11099, 0.00317878/step, 1.33208 hours remaining, 241.500000 MB of memory in use. ENERGY: 3491400 3898.2186 20392.9541 14483.9239 265.6162 -203647.5950 2776.6532 0.0000 0.0000 52000.9158 -109829.3132 298.8500 -161830.2289 -109475.3568 298.0634 356.2145 381.2674 759138.0946 3.0864 2.9799 PRESSURE: 3491600 -196.578 -160.916 -118.025 -160.916 -71.3645 -128.022 -118.025 -128.022 -198.406 GPRESSURE: 3491600 -174.668 -165.67 -196.356 -184.718 -81.9244 -168.143 -157.481 -88.1216 -126.643 PRESSAVG: 3491600 39.743 -16.4261 -39.665 -16.4261 -48.9798 -32.8115 -39.665 -32.8116 -2.33521 GPRESSAVG: 3491600 40.6618 -16.1789 -38.0437 -17.0909 -50.305 -33.1814 -40.103 -36.0419 -2.0463 TIMING: 3491600 CPU: 11099.6, 0.00316601/step Wall: 11099.6, 0.00316601/step, 1.32656 hours remaining, 241.500000 MB of memory in use. ENERGY: 3491600 4032.4467 20536.9976 14490.2753 254.2973 -203352.3402 2241.0997 0.0000 0.0000 51997.0203 -109800.2034 298.8276 -161797.2237 -109437.7091 298.9970 -155.4497 -127.7452 761002.2221 -3.8573 -3.8965 PRESSURE: 3491800 112.82 169.691 2.75085 169.693 -241.914 -9.62613 2.75071 -9.62593 -275.058 GPRESSURE: 3491800 20.1866 93.3346 42.8822 78.3311 -43.2872 -21.9538 60.0335 -26.3207 -309.219 PRESSAVG: 3491800 43.8844 -22.3433 -10.373 -22.3433 -48.1209 -31.475 -10.373 -31.475 2.14663 GPRESSAVG: 3491800 44.0796 -20.3938 -10.3601 -22.8406 -47.4975 -32.2973 -11.8701 -28.837 1.58894 TIMING: 3491800 CPU: 11100.2, 0.00316219/step Wall: 11100.2, 0.00316219/step, 1.32478 hours remaining, 241.500000 MB of memory in use. ENERGY: 3491800 4013.1330 20528.8145 14518.6576 244.7811 -203184.1585 2291.0508 0.0000 0.0000 51925.7758 -109661.9456 298.4181 -161587.7214 -109301.5371 299.0403 -134.7173 -110.7731 760820.8391 -0.6966 -0.6097 PRESSURE: 3492000 307.889 -282.043 76.5833 -282.043 148.981 107.387 76.5832 107.387 478.294 GPRESSURE: 3492000 334.226 -368.743 78.5275 -272.052 235.269 141.127 -40.1419 -58.2412 463.488 PRESSAVG: 3492000 -0.22126 -36.6724 25.9216 -36.6724 -25.5478 -5.82131 25.9216 -5.82138 -1.5727 GPRESSAVG: 3492000 -2.13455 -39.4032 26.3491 -36.7186 -24.4258 -3.87828 26.6529 -7.02733 -0.645231 TIMING: 3492000 CPU: 11100.9, 0.0031638/step Wall: 11100.9, 0.0031638/step, 1.32528 hours remaining, 241.500000 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: 3492000 3911.9543 20462.3438 14491.9393 250.1799 -203587.2669 2776.0841 0.0000 0.0000 51968.9081 -109725.8572 298.6660 -161694.7654 -109364.0451 299.0171 311.7211 344.3279 759737.0884 -9.1139 -9.0685 PRESSURE: 3492200 35.32 74.7743 -183.095 74.774 -12.1502 83.8834 -183.095 83.8828 182.146 GPRESSURE: 3492200 50.1967 69.6959 -208.147 104.892 -27.5918 44.4277 -37.9158 45.223 264.484 PRESSAVG: 3492200 -7.85937 -59.4888 -11.0908 -59.4888 9.63612 18.838 -11.0908 18.838 -6.085 GPRESSAVG: 3492200 -6.10977 -59.058 -10.5238 -57.4492 7.73508 19.1557 -9.28661 17.2754 -5.88559 TIMING: 3492200 CPU: 11101.5, 0.00314707/step Wall: 11101.5, 0.00314707/step, 1.3181 hours remaining, 241.500000 MB of memory in use. ENERGY: 3492200 3969.7525 20600.7183 14474.7124 235.7797 -203841.7690 2866.8883 0.0000 0.0000 51955.2969 -109738.6208 298.5878 -161693.9178 -109387.4470 298.2589 68.4385 95.6964 761600.5020 -1.4361 -1.4201 LDB: ============= START OF LOAD BALANCING ============== 11113.9 LDB: ============== END OF LOAD BALANCING =============== 11113.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11113.9 LDB: ============= START OF LOAD BALANCING ============== 11114.3 LDB: Largest compute 7038 load 0.035236 is 18.0% of average load 0.195257 LDB: Average compute 0.004396 is 2.3% of average load 0.195257 LDB: TIME 11114.3 LOAD: AVG 0.195257 MAX 0.216863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.59 MB LDB: TIME 11114.3 LOAD: AVG 0.195257 MAX 0.216863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.594 MB LDB: TIME 11114.3 LOAD: AVG 0.195257 MAX 0.216863 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.594 MB LDB: ============== END OF LOAD BALANCING =============== 11114.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11114.3 PRESSURE: 3492400 28.5042 -201.697 173.815 -201.696 537.782 220.2 173.815 220.2 -386.04 GPRESSURE: 3492400 75.1423 -202.341 162.165 -57.3314 520.081 158.634 186.857 101.45 -339.463 PRESSAVG: 3492400 9.47858 -18.8301 -18.5063 -18.8301 -27.7703 35.3829 -18.5063 35.3828 -22.0818 GPRESSAVG: 3492400 10.7165 -17.606 -20.5071 -21.0455 -27.539 34.9094 -20.4072 36.3468 -23.3695 TIMING: 3492400 CPU: 11102.1, 0.00323501/step Wall: 11102.1, 0.00323501/step, 1.35475 hours remaining, 241.582031 MB of memory in use. ENERGY: 3492400 4079.5207 20533.6978 14538.4979 251.8471 -203899.7709 2818.4395 0.0000 0.0000 51914.4736 -109763.2943 298.3532 -161677.7680 -109408.3116 298.5008 60.0823 85.2534 762501.6917 -13.4578 -13.3974 PRESSURE: 3492600 -98.5775 -163.511 -76.6259 -163.511 -203.458 -257.724 -76.6262 -257.723 -27.7806 GPRESSURE: 3492600 -146.518 -186.72 -48.4976 -128.943 -48.5961 -231.01 -147.814 -147.543 -49.8467 PRESSAVG: 3492600 12.8278 -34.3898 -13.3756 -34.3897 -9.68095 15.9969 -13.3755 15.9969 7.90848 GPRESSAVG: 3492600 11.1242 -34.6013 -11.3736 -32.2841 -8.34889 15.2817 -14.5003 16.6288 8.83848 TIMING: 3492600 CPU: 11102.8, 0.00315496/step Wall: 11102.8, 0.00315496/step, 1.32105 hours remaining, 241.582031 MB of memory in use. ENERGY: 3492600 3971.1362 20435.4416 14491.9819 246.5770 -203043.3755 2133.8365 0.0000 0.0000 51999.6158 -109764.7865 298.8425 -161764.4023 -109397.0470 298.6207 -109.9387 -81.6537 761336.6273 3.6851 3.8713 PRESSURE: 3492800 -45.938 55.886 -192.124 55.8854 48.6594 126.863 -192.124 126.863 -408.981 GPRESSURE: 3492800 -48.6046 60.8123 -198.131 12.3894 31.4263 158.548 -150.913 107.961 -305.884 PRESSAVG: 3492800 -4.90448 -28.4408 -46.626 -28.4408 -7.64326 42.9786 -46.6261 42.9785 -24.7978 GPRESSAVG: 3492800 -4.3954 -29.2652 -48.1609 -29.5277 -8.65843 42.2721 -43.881 44.3928 -24.3449 TIMING: 3492800 CPU: 11103.4, 0.00315698/step Wall: 11103.4, 0.00315698/step, 1.32172 hours remaining, 241.582031 MB of memory in use. ENERGY: 3492800 3974.5655 20492.1623 14522.4195 241.2842 -203697.4650 2663.8808 0.0000 0.0000 52223.7145 -109579.4382 300.1304 -161803.1528 -109214.9427 299.1906 -135.4198 -107.6874 760430.5155 -12.4485 -12.4662 PRESSURE: 3493000 133.901 -11.2411 -30.0117 -11.2404 -144.436 277.833 -30.0121 277.833 142.876 GPRESSURE: 3493000 118.663 71.5596 -135.583 -33.635 -24.5916 272.12 88.7098 185.572 131.606 PRESSAVG: 3493000 20.6836 22.4417 30.204 22.4417 -74.6331 34.4495 30.204 34.4496 7.60415 GPRESSAVG: 3493000 21.5203 24.4505 30.1546 21.219 -74.6601 34.4873 29.7233 33.8913 6.91507 TIMING: 3493000 CPU: 11104, 0.003169/step Wall: 11104, 0.003169/step, 1.32658 hours remaining, 241.582031 MB of memory in use. ENERGY: 3493000 3947.2581 20546.7796 14459.8362 227.9920 -202898.1843 2437.8351 0.0000 0.0000 51837.2681 -109441.2154 297.9095 -161278.4835 -109076.2760 299.3830 44.1136 75.2257 761778.9843 -15.4485 -15.4082 PRESSURE: 3493200 766.485 104.015 51.1333 104.014 -41.4131 -87.0279 51.133 -87.0287 233.938 GPRESSURE: 3493200 618.214 226.445 38.2224 52.818 238.986 -88.5613 90.4612 -137.948 181.487 PRESSAVG: 3493200 -35.4199 -6.98044 -12.8597 -6.98041 2.77705 44.7285 -12.8597 44.7284 -2.47621 GPRESSAVG: 3493200 -35.5785 -8.6497 -12.0627 -6.80524 3.27213 45.5144 -12.8061 42.1451 -3.00835 TIMING: 3493200 CPU: 11104.7, 0.00317568/step Wall: 11104.7, 0.00317568/step, 1.3292 hours remaining, 241.582031 MB of memory in use. ENERGY: 3493200 3912.4693 20358.4542 14479.3389 238.8418 -203498.6004 2782.4939 0.0000 0.0000 52010.2495 -109716.7527 298.9036 -161727.0022 -109357.8301 298.7303 319.6699 346.2292 758762.1161 -11.7064 -11.7716 PRESSURE: 3493400 162.251 -176.206 -196.192 -176.207 -195.746 48.536 -196.194 48.537 -278.49 GPRESSURE: 3493400 202.13 -200.868 -215.719 -162.026 -189.905 138.043 -7.40521 22.3597 -237.482 PRESSAVG: 3493400 22.8133 -18.5126 -0.507681 -18.5126 3.46216 33.3528 -0.507712 33.3528 11.5284 GPRESSAVG: 3493400 21.0863 -19.0882 -1.54337 -17.9962 4.45448 33.1045 -0.839772 35.6752 12.2328 TIMING: 3493400 CPU: 11105.3, 0.00318028/step Wall: 11105.3, 0.00318028/step, 1.33095 hours remaining, 241.582031 MB of memory in use. ENERGY: 3493400 3911.8373 20489.2157 14543.5376 256.1190 -203251.8125 2352.3416 0.0000 0.0000 52078.8493 -109619.9120 299.2979 -161698.7612 -109259.4913 298.8414 -103.9951 -75.0857 759586.1838 12.6013 12.5912 PRESSURE: 3493600 43.5172 -22.7286 20.4739 -22.7286 117.173 132.735 20.4744 132.734 502.94 GPRESSURE: 3493600 154.126 20.9624 80.0703 14.1969 115.97 92.2988 -39.6339 170.798 492.121 PRESSAVG: 3493600 14.3964 5.87586 25.6204 5.87586 11.5698 35.1715 25.6204 35.1715 -3.83435 GPRESSAVG: 3493600 16.9287 5.99119 26.7099 6.21948 9.83437 35.535 26.7641 33.9331 -4.70639 TIMING: 3493600 CPU: 11105.9, 0.0031696/step Wall: 11105.9, 0.0031696/step, 1.3263 hours remaining, 241.582031 MB of memory in use. ENERGY: 3493600 3950.2157 20456.1090 14457.9799 254.9061 -203393.1160 2705.1490 0.0000 0.0000 52112.3455 -109456.4107 299.4904 -161568.7562 -109096.3261 299.4306 221.2101 254.0723 758393.2889 7.3773 7.3522 PRESSURE: 3493800 -49.7347 178.398 -90.9894 178.398 -50.2861 -177.736 -90.9896 -177.736 71.5898 GPRESSURE: 3493800 34.9961 136.616 -11.3812 141.503 -0.0244295 -102.422 69.6005 -170.962 25.7643 PRESSAVG: 3493800 -21.6959 -64.6103 -13.6753 -64.6103 4.21953 -6.78163 -13.6753 -6.78166 11.1464 GPRESSAVG: 3493800 -22.7658 -63.9382 -14.6285 -64.0223 5.11441 -6.13081 -14.7503 -5.31359 11.5638 TIMING: 3493800 CPU: 11106.6, 0.00314726/step Wall: 11106.6, 0.00314726/step, 1.31678 hours remaining, 241.582031 MB of memory in use. ENERGY: 3493800 3928.4929 20586.0436 14496.8768 237.6337 -203517.3079 2767.3578 0.0000 0.0000 52061.5371 -109439.3660 299.1984 -161500.9031 -109073.7052 299.2614 -9.4770 20.2453 759575.7052 -2.1100 -2.0292 PRESSURE: 3494000 482.602 55.4038 83.0719 55.4039 7.46525 -156.675 83.0722 -156.675 -38.4755 GPRESSURE: 3494000 358.745 106.878 162.196 76.2678 126.931 -128.626 5.52027 -209.954 46.8254 PRESSAVG: 3494000 53.3708 -2.60876 32.02 -2.60879 -43.6956 -12.9259 32.02 -12.926 -10.6614 GPRESSAVG: 3494000 51.9607 -2.78364 33.3182 -2.73732 -43.8784 -13.519 32.5773 -13.4583 -9.07316 TIMING: 3494000 CPU: 11107.2, 0.00315595/step Wall: 11107.2, 0.00315595/step, 1.32024 hours remaining, 241.582031 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: 3494000 3976.7067 20673.4515 14422.5847 234.0760 -203444.8830 2564.3812 0.0000 0.0000 52119.6527 -109454.0302 299.5324 -161573.6829 -109089.5346 299.5262 150.5305 177.5002 759555.1039 -0.3287 -0.3303 PRESSURE: 3494200 -12.3378 -60.1836 -56.7359 -60.1832 15.7465 165.824 -56.7362 165.824 44.8361 GPRESSURE: 3494200 24.2506 -103.685 -81.0527 -86.8538 74.4247 199.113 -53.0968 188.06 25.2197 PRESSAVG: 3494200 8.40165 -25.0764 -45.9456 -25.0765 -0.746075 31.1905 -45.9456 31.1905 -1.57755 GPRESSAVG: 3494200 10.4194 -22.8855 -46.8632 -27.8393 -0.168286 31.6601 -46.4535 29.5698 -3.50198 TIMING: 3494200 CPU: 11107.8, 0.00315793/step Wall: 11107.8, 0.00315793/step, 1.32089 hours remaining, 241.582031 MB of memory in use. ENERGY: 3494200 3951.8214 20607.3670 14493.6493 246.5365 -203533.8909 2471.3815 0.0000 0.0000 52125.9880 -109637.1472 299.5688 -161763.1351 -109267.8296 299.0291 16.0816 41.2983 760534.2141 2.0260 2.2497 PRESSURE: 3494400 -192.579 79.6464 -41.2353 79.6467 -274.717 277.054 -41.2348 277.054 -339.862 GPRESSURE: 3494400 -234.215 94.6032 -36.0942 22.7636 -153.467 231.378 -38.3463 194.524 -299.651 PRESSAVG: 3494400 -47.5194 -11.4729 -16.8991 -11.4729 24.468 28.4801 -16.8992 28.4801 3.72177 GPRESSAVG: 3494400 -47.4207 -14.847 -16.5972 -9.11294 23.5931 27.883 -17.4806 29.3479 3.99935 TIMING: 3494400 CPU: 11108.4, 0.00313032/step Wall: 11108.4, 0.00313032/step, 1.30917 hours remaining, 241.582031 MB of memory in use. ENERGY: 3494400 3984.9563 20464.7093 14476.3595 244.8808 -202986.1163 2201.6906 0.0000 0.0000 52033.8304 -109579.6895 299.0391 -161613.5199 -109220.2161 298.7866 -269.0524 -229.1106 761600.3869 -6.4432 -6.6094 PRESSURE: 3494600 -169.492 -102.567 -161.192 -102.567 -118.644 -117.556 -161.191 -117.556 149.915 GPRESSURE: 3494600 -118.242 -102.466 -166.736 -89.1728 -38.2245 -156 -118.963 69.1061 117.653 PRESSAVG: 3494600 42.7502 -21.2876 -12.2213 -21.2876 -17.3314 44.5031 -12.2214 44.5032 -14.7438 GPRESSAVG: 3494600 42.0312 -17.3143 -12.9724 -23.4669 -17.2228 44.4355 -11.4134 44.2389 -13.8517 TIMING: 3494600 CPU: 11109.1, 0.00315184/step Wall: 11109.1, 0.00315184/step, 1.31799 hours remaining, 241.582031 MB of memory in use. ENERGY: 3494600 3975.0408 20486.9165 14497.8962 245.3637 -203028.4521 2287.6355 0.0000 0.0000 52005.7768 -109529.8226 298.8779 -161535.5994 -109161.6085 299.5771 -46.0738 -12.9378 762271.0046 3.5583 3.6522 PRESSURE: 3494800 -217.44 -214.572 181.415 -214.572 -148.278 -182.973 181.415 -182.972 -366.314 GPRESSURE: 3494800 -166.101 -142.496 179.17 -188.114 -178.578 -174.543 156.991 -194.65 -292.261 PRESSAVG: 3494800 -7.23341 -22.8729 5.7594 -22.8728 -16.4406 -3.93625 5.75945 -3.93615 7.91177 GPRESSAVG: 3494800 -7.98635 -22.204 3.59029 -20.7974 -15.5687 -2.71587 6.98499 -3.77998 8.35984 TIMING: 3494800 CPU: 11109.7, 0.00315738/step Wall: 11109.7, 0.00315738/step, 1.32014 hours remaining, 241.582031 MB of memory in use. ENERGY: 3494800 4020.5198 20474.8887 14424.9305 257.8622 -203495.4895 2655.1130 0.0000 0.0000 52225.0847 -109437.0906 300.1383 -161662.1752 -109086.6064 299.8479 -244.0105 -212.3132 760741.2666 -5.2541 -5.0651 PRESSURE: 3495000 -268.017 95.0235 -188.503 95.0228 -596.442 74.5324 -188.504 74.5313 -523.783 GPRESSURE: 3495000 -214.85 -38.0906 -170.912 217.568 -592.237 58.3069 -250.502 55.2956 -507.114 PRESSAVG: 3495000 62.0183 -13.4354 -47.7196 -13.4354 -20.1461 3.15653 -47.7196 3.15662 -14.3579 GPRESSAVG: 3495000 63.1746 -15.0938 -45.2249 -14.057 -20.9263 1.69693 -49.4318 4.08126 -14.8145 TIMING: 3495000 CPU: 11110.3, 0.00317458/step Wall: 11110.3, 0.00317458/step, 1.32715 hours remaining, 241.582031 MB of memory in use. ENERGY: 3495000 4042.4746 20475.8759 14459.0807 244.8461 -203194.5465 2375.6835 0.0000 0.0000 52300.7887 -109295.7971 300.5734 -161596.5857 -108928.1101 299.9253 -462.7472 -438.0670 761065.6290 9.1715 9.1446 PRESSURE: 3495200 43.8088 -165.041 17.3177 -165.04 88.1032 59.3522 17.3175 59.3525 397.207 GPRESSURE: 3495200 71.0259 -127.322 32.033 -153.611 144.094 55.4901 -32.3596 1.62019 399.351 PRESSAVG: 3495200 -8.9354 -21.7102 -40.6763 -21.7102 13.8479 23.3895 -40.6763 23.3893 -0.280992 GPRESSAVG: 3495200 -8.88069 -21.7213 -40.3435 -20.4907 13.1259 23.2629 -41.7842 21.1434 0.425903 TIMING: 3495200 CPU: 11111, 0.00317074/step Wall: 11111, 0.00317074/step, 1.32537 hours remaining, 241.582031 MB of memory in use. ENERGY: 3495200 3875.9257 20773.3628 14457.2749 250.6574 -203239.9088 2427.9265 0.0000 0.0000 52320.8566 -109133.9050 300.6887 -161454.7616 -108783.5878 300.0817 176.3731 204.8238 761193.1108 1.5438 1.5570 PRESSURE: 3495400 -13.2563 79.3934 27.7999 79.3936 -57.2229 37.261 27.7997 37.2618 -316.309 GPRESSURE: 3495400 58.776 107.96 53.683 137.681 -29.4488 63.3394 -13.2812 4.83842 -324.739 PRESSAVG: 3495400 2.47291 -41.8603 23.4044 -41.8603 -55.5668 39.4297 23.4044 39.4296 21.8516 GPRESSAVG: 3495400 2.09265 -44.5584 24.3009 -42.9352 -54.3352 40.0108 24.4699 43.2763 20.8006 TIMING: 3495400 CPU: 11111.6, 0.00314766/step Wall: 11111.6, 0.00314766/step, 1.31555 hours remaining, 241.582031 MB of memory in use. ENERGY: 3495400 3934.2191 20678.9514 14525.9271 244.2269 -203175.1290 2434.3583 0.0000 0.0000 52074.5146 -109282.9316 299.2730 -161357.4462 -108909.1780 300.1302 -128.9296 -98.4707 760741.0819 -10.4141 -10.4807 PRESSURE: 3495600 7.3086 7.82603 16.8706 7.82735 182.434 24.1591 16.8711 24.1593 95.5108 GPRESSURE: 3495600 -10.2429 109.16 -76.4474 79.3054 208.66 32.1658 -21.8102 -32.4545 183.174 PRESSAVG: 3495600 -38.574 -43.3836 -46.603 -43.3836 55.6501 11.3825 -46.6029 11.3823 -23.6027 GPRESSAVG: 3495600 -37.1976 -39.9127 -49.3948 -42.8737 55.2582 12.2059 -47.1514 10.0343 -24.3231 TIMING: 3495600 CPU: 11112.2, 0.00314255/step Wall: 11112.2, 0.00314255/step, 1.31324 hours remaining, 241.582031 MB of memory in use. ENERGY: 3495600 3909.4285 20552.3771 14468.5925 261.9999 -203410.9640 2801.0854 0.0000 0.0000 52408.8824 -109008.5982 301.1946 -161417.4806 -108644.9851 300.3220 95.0844 127.1972 759736.9113 -2.1755 -2.0875 PRESSURE: 3495800 -141.085 -193.798 23.828 -193.798 -208.47 87.3679 23.829 87.3682 -285.911 GPRESSURE: 3495800 -80.235 -207.966 70.0093 -39.563 -209.781 26.1682 68.98 120.094 -267.696 PRESSAVG: 3495800 11.2429 -67.5917 -45.6623 -67.5918 -1.78006 22.5561 -45.6624 22.5562 5.47469 GPRESSAVG: 3495800 9.39101 -69.3918 -44.6077 -66.9165 -1.02899 21.5045 -46.3155 21.5132 7.25342 TIMING: 3495800 CPU: 11112.9, 0.00315397/step Wall: 11112.9, 0.00315397/step, 1.31783 hours remaining, 241.582031 MB of memory in use. ENERGY: 3495800 4004.9279 20415.9361 14477.0214 246.9024 -203021.3799 2482.1457 0.0000 0.0000 52418.3851 -108976.0613 301.2492 -161394.4463 -108604.6588 300.3358 -211.8221 -185.9042 762094.3227 4.9792 5.2051 PRESSURE: 3496000 25.3157 -147.848 -179.36 -147.848 -296.326 9.108 -179.361 9.1079 -279.084 GPRESSURE: 3496000 49.0636 -181.78 -283.068 -150.758 -223.286 67.7918 -231.395 77.9012 -284.057 PRESSAVG: 3496000 -23.3654 6.84744 -28.5104 6.84749 16.6829 42.5885 -28.5104 42.5885 1.07689 GPRESSAVG: 3496000 -22.6364 8.68201 -29.2516 4.49476 16.9071 44.34 -25.5347 43.9725 -0.141554 TIMING: 3496000 CPU: 11113.5, 0.00316539/step Wall: 11113.5, 0.00316539/step, 1.32243 hours remaining, 241.582031 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: 3496000 3999.7483 20712.3260 14508.9170 253.6173 -203255.6091 2451.4449 0.0000 0.0000 52052.0220 -109277.5337 299.1437 -161329.5557 -108918.0420 300.1899 -183.3646 -152.7599 761992.7410 -1.8685 -1.9570 PRESSURE: 3496200 -289.068 -254.592 59.0848 -254.592 -61.287 -169.919 59.0848 -169.919 204.281 GPRESSURE: 3496200 -172.625 -206.582 140.248 -287.046 -20.747 -226.733 47.1771 44.7761 129.471 PRESSAVG: 3496200 33.5243 -1.53881 6.69149 -1.53886 -37.9895 -3.96712 6.69147 -3.96707 -3.31499 GPRESSAVG: 3496200 32.4674 -1.44372 7.46268 -0.786682 -37.1152 -4.9994 5.24049 -3.96195 -2.97352 TIMING: 3496200 CPU: 11114.1, 0.00316227/step Wall: 11114.1, 0.00316227/step, 1.32095 hours remaining, 241.582031 MB of memory in use. ENERGY: 3496200 3982.6200 20480.3804 14447.2955 234.7175 -203061.2112 2421.2166 0.0000 0.0000 52246.0778 -109248.9034 300.2589 -161494.9812 -108879.7487 299.6427 -48.6915 -21.3003 762880.0747 -2.5934 -2.5405 LDB: ============= START OF LOAD BALANCING ============== 11126.6 LDB: ============== END OF LOAD BALANCING =============== 11126.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11126.6 LDB: ============= START OF LOAD BALANCING ============== 11126.9 LDB: Largest compute 7060 load 0.034613 is 17.7% of average load 0.195360 LDB: Average compute 0.004368 is 2.2% of average load 0.195360 LDB: TIME 11126.9 LOAD: AVG 0.19536 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 11126.9 LOAD: AVG 0.19536 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 11126.9 LOAD: AVG 0.19536 MAX 0.216788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 11126.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11126.9 PRESSURE: 3496400 252.019 -68.0867 223.902 -68.0868 185.574 -13.1598 223.903 -13.1597 447.809 GPRESSURE: 3496400 359.155 -25.9191 223.487 24.1882 136.671 -104.564 119.578 -52.4535 470.749 PRESSAVG: 3496400 48.5604 1.85858 -0.415207 1.85861 -39.9753 1.16473 -0.415182 1.16476 20.8139 GPRESSAVG: 3496400 49.2247 -1.02022 0.794246 4.07015 -41.75 -0.724355 0.501319 1.85177 21.5944 TIMING: 3496400 CPU: 11114.8, 0.00322741/step Wall: 11114.8, 0.00322741/step, 1.34798 hours remaining, 240.808594 MB of memory in use. ENERGY: 3496400 3946.8017 20574.8946 14526.9026 239.5459 -203243.0646 2662.0329 0.0000 0.0000 51937.0399 -109355.8470 298.4829 -161292.8869 -108994.5334 299.1575 295.1340 322.1918 760018.2682 9.7997 9.6897 PRESSURE: 3496600 241.624 -27.9236 -154.904 -27.9242 -38.5835 -158.506 -154.904 -158.506 47.9075 GPRESSURE: 3496600 377.703 104.746 -115.245 -114.435 -80.199 -100.174 -106.115 -254.301 55.6121 PRESSAVG: 3496600 57.2692 -0.817145 -1.45414 -0.81713 -26.2169 -28.2825 -1.45414 -28.2825 3.66412 GPRESSAVG: 3496600 57.5645 2.87767 -2.15907 -1.94491 -25.6524 -26.4604 -2.62647 -29.3856 3.28231 TIMING: 3496600 CPU: 11115.4, 0.00315568/step Wall: 11115.4, 0.00315568/step, 1.31785 hours remaining, 240.808594 MB of memory in use. ENERGY: 3496600 4070.9226 20549.7887 14469.2307 255.4941 -203008.2896 2330.7003 0.0000 0.0000 52107.7157 -109224.4375 299.4638 -161332.1532 -108865.5994 299.5426 83.6494 117.7054 759915.0361 11.5721 11.7315 PRESSURE: 3496800 -197.921 58.7193 104.567 58.7186 35.5133 24.1638 104.566 24.1631 -356.469 GPRESSURE: 3496800 -79.7406 -18.2298 78.6132 20.0762 47.7853 75.6 102.591 237.795 -398.919 PRESSAVG: 3496800 14.168 -28.5923 33.8812 -28.5923 -27.9754 -64.6481 33.8813 -64.6482 -8.13737 GPRESSAVG: 3496800 14.7151 -31.3689 33.2004 -27.2004 -29.0137 -61.6283 35.8148 -64.9324 -7.80654 TIMING: 3496800 CPU: 11116.1, 0.00320215/step Wall: 11116.1, 0.00320215/step, 1.33708 hours remaining, 240.808594 MB of memory in use. ENERGY: 3496800 4045.6990 20667.3645 14557.7863 228.7970 -203167.3257 2438.8738 0.0000 0.0000 52078.3803 -109150.4247 299.2952 -161228.8050 -108781.3616 299.8664 -172.9586 -143.6247 761321.7486 -7.3149 -7.3684 PRESSURE: 3497000 0.617614 -87.8045 -200.789 -87.8047 -167.105 -18.647 -200.789 -18.6478 69.6832 GPRESSURE: 3497000 132.053 -24.1187 -259.399 -27.8604 -144.261 24.2615 -194.042 -111.565 4.27158 PRESSAVG: 3497000 -2.83687 -24.8019 6.30399 -24.8019 -19.6992 -2.6103 6.30395 -2.61032 -19.1828 GPRESSAVG: 3497000 -3.20011 -23.4029 6.94603 -24.9227 -18.3613 -4.34114 4.28952 -2.12342 -20.4303 TIMING: 3497000 CPU: 11116.7, 0.00314742/step Wall: 11116.7, 0.00314743/step, 1.31405 hours remaining, 240.808594 MB of memory in use. ENERGY: 3497000 3991.6906 20573.7074 14437.9475 244.8889 -203227.8536 2414.5560 0.0000 0.0000 52417.5169 -109147.5464 301.2442 -161565.0633 -108783.7296 300.0526 -32.2679 -2.6457 761156.8234 -13.9063 -13.9972 PRESSURE: 3497200 201.946 -2.15175 187.301 -2.15211 34.0059 -48.9616 187.302 -48.9614 -208.577 GPRESSURE: 3497200 247.641 -51.179 169.622 -99.9852 55.7837 18.4467 66.5606 -82.9298 -195.446 PRESSAVG: 3497200 -26.385 -19.4622 -5.06492 -19.4622 -3.82048 9.27843 -5.06494 9.27852 -13.3549 GPRESSAVG: 3497200 -25.9732 -19.7536 -4.66592 -23.1318 -4.31929 9.35596 -5.70776 8.62329 -12.9771 TIMING: 3497200 CPU: 11117.3, 0.00316808/step Wall: 11117.3, 0.00316808/step, 1.3225 hours remaining, 240.808594 MB of memory in use. ENERGY: 3497200 3960.3281 20605.9991 14484.3722 251.1031 -202936.2158 2304.4738 0.0000 0.0000 52304.7095 -109025.2300 300.5959 -161329.9396 -108652.2271 300.6875 9.1249 35.9929 761405.6281 -14.5201 -14.4232 PRESSURE: 3497400 -285.902 47.6458 286.738 47.6448 -392.374 -37.8614 286.738 -37.8622 -112.214 GPRESSURE: 3497400 -149.562 41.7762 179.653 101.616 -336.686 -6.64909 305.741 -56.8335 -192.97 PRESSAVG: 3497400 -27.2035 -91.233 40.9422 -91.233 -1.28192 20.1694 40.9421 20.1693 -30.7215 GPRESSAVG: 3497400 -27.6148 -90.7987 41.9003 -87.7543 -3.00125 20.6628 41.2971 21.7732 -29.2063 TIMING: 3497400 CPU: 11117.9, 0.00315861/step Wall: 11117.9, 0.00315861/step, 1.31837 hours remaining, 240.808594 MB of memory in use. ENERGY: 3497400 3973.2765 20676.4888 14475.1190 253.0027 -203220.2131 2538.2448 0.0000 0.0000 52180.8680 -109123.2134 299.8842 -161304.0814 -108759.8001 300.0829 -263.4967 -226.4058 763127.1502 -19.7356 -19.9408 PRESSURE: 3497600 104.882 -68.611 -106.769 -68.6114 -18.8926 -88.9077 -106.769 -88.9078 208.391 GPRESSURE: 3497600 92.042 -104.73 -2.23767 -29.3048 8.15452 -93.9231 -14.0949 -56.9137 279.089 PRESSAVG: 3497600 -0.260797 -64.9081 25.4223 -64.9081 -64.4159 -4.68946 25.4223 -4.68947 14.7776 GPRESSAVG: 3497600 -1.26529 -64.8124 24.4879 -65.2488 -62.0948 -5.19477 24.3096 -4.18651 13.9708 TIMING: 3497600 CPU: 11118.6, 0.00316437/step Wall: 11118.6, 0.00316437/step, 1.3206 hours remaining, 240.808594 MB of memory in use. ENERGY: 3497600 3948.6140 20547.6256 14459.8769 277.8009 -203251.4281 2643.3043 0.0000 0.0000 52211.1833 -109163.0230 300.0584 -161374.2063 -108796.2095 300.0232 98.1266 126.4284 762200.3019 -16.6330 -16.4631 PRESSURE: 3497800 -492.819 -8.17062 56.5125 -8.17059 57.739 150.551 56.5123 150.552 -3.10686 GPRESSURE: 3497800 -382.358 -70.3954 87.9571 -0.443526 108.282 103.518 64.5274 57.3353 -85.9557 PRESSAVG: 3497800 -6.30037 -26.9042 68.5376 -26.9042 -10.7963 -45.1872 68.5375 -45.1871 -6.91435 GPRESSAVG: 3497800 -4.44369 -26.6848 68.434 -27.908 -12.9477 -46.0686 72.7795 -45.8072 -5.89631 TIMING: 3497800 CPU: 11119.2, 0.00315382/step Wall: 11119.2, 0.00315382/step, 1.31602 hours remaining, 240.808594 MB of memory in use. ENERGY: 3497800 3907.6718 20661.5506 14488.0281 246.5296 -203109.4597 2571.3385 0.0000 0.0000 52138.5334 -109095.8077 299.6409 -161234.3412 -108732.3643 300.2193 -146.0622 -120.0106 761991.3224 -8.0037 -7.7626 PRESSURE: 3498000 323.26 129.983 -13.1396 129.983 262.071 53.2482 -13.1396 53.2469 193.976 GPRESSURE: 3498000 396.021 120.284 101.8 116.207 316.381 60.6717 4.62446 115.01 166.198 PRESSAVG: 3498000 31.5676 50.8443 33.1668 50.8444 17.6655 -32.9016 33.1668 -32.9015 2.27543 GPRESSAVG: 3498000 31.7905 50.3285 31.692 50.2085 18.786 -30.8578 30.3417 -34.1984 1.47869 TIMING: 3498000 CPU: 11119.8, 0.00317014/step Wall: 11119.8, 0.00317014/step, 1.32265 hours remaining, 240.808594 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: 3498000 4047.5611 20644.7984 14475.7770 254.8817 -203102.5813 2550.6338 0.0000 0.0000 52061.6607 -109067.2686 299.1991 -161128.9293 -108698.0172 300.5567 259.7690 292.8669 761664.3967 17.1695 17.3517 PRESSURE: 3498200 -14.5629 252.362 -55.2092 252.363 -326.062 -94.1467 -55.2096 -94.1472 -75.2418 GPRESSURE: 3498200 -8.52101 134.04 -159.354 183.301 -186.227 -6.39974 -67.1311 -254.771 -130.312 PRESSAVG: 3498200 47.0789 29.6723 -26.4934 29.6723 -11.8054 18.6145 -26.4935 18.6145 3.34811 GPRESSAVG: 3498200 47.1069 30.4091 -25.9735 29.9299 -11.7416 16.4694 -25.69 19.4945 3.31419 TIMING: 3498200 CPU: 11120.5, 0.00317103/step Wall: 11120.5, 0.00317103/step, 1.32285 hours remaining, 240.808594 MB of memory in use. ENERGY: 3498200 3988.9510 20568.4774 14553.9367 258.2183 -203205.1260 2583.2297 0.0000 0.0000 52161.1941 -109091.1189 299.7711 -161252.3130 -108720.8490 300.3511 -138.6221 -108.3531 760873.3647 12.8738 12.8932 PRESSURE: 3498400 269.005 12.2209 8.61751 12.22 42.9596 117.915 8.61703 117.916 596.764 GPRESSURE: 3498400 308.331 19.1687 -36.4945 -130.491 57.4703 17.0333 91.3019 81.4013 615.039 PRESSAVG: 3498400 30.4927 32.5428 -42.5945 32.5428 -50.7768 -15.0251 -42.5945 -15.0251 11.5101 GPRESSAVG: 3498400 29.4972 32.8943 -43.1025 32.751 -50.4206 -13.7826 -40.5541 -16.6912 11.5622 TIMING: 3498400 CPU: 11121.1, 0.00316312/step Wall: 11121.1, 0.00316312/step, 1.31937 hours remaining, 240.808594 MB of memory in use. ENERGY: 3498400 3954.4054 20642.1019 14418.4414 245.8127 -203531.9013 2711.1023 0.0000 0.0000 52037.7247 -109522.3129 299.0615 -161560.0376 -109160.9573 299.8017 302.9096 326.9467 761239.3237 -2.9247 -3.1204 PRESSURE: 3498600 -110.257 59.2906 119.691 59.2911 98.8378 18.4876 119.692 18.4874 -157.938 GPRESSURE: 3498600 -57.0703 130.49 57.3122 -2.21258 81.214 97.2225 211.214 70.9774 -90.0106 PRESSAVG: 3498600 -0.395847 -10.9164 39.9136 -10.9165 10.8487 -56.6384 39.9136 -56.6383 -0.484815 GPRESSAVG: 3498600 0.518053 -12.6536 40.9445 -11.5413 10.3394 -57.0083 38.2505 -55.2304 -0.509915 TIMING: 3498600 CPU: 11121.7, 0.00317223/step Wall: 11121.7, 0.00317223/step, 1.323 hours remaining, 240.808594 MB of memory in use. ENERGY: 3498600 3977.5416 20609.6425 14417.6274 232.0730 -203724.0836 2684.8892 0.0000 0.0000 52279.7507 -109522.5593 300.4524 -161802.3100 -109156.7907 299.3326 -56.4523 -21.9556 761754.6444 3.3227 3.4492 PRESSURE: 3498800 83.482 -117.04 -311.695 -117.04 -269.876 16.2608 -311.695 16.261 -563.889 GPRESSURE: 3498800 136.609 -104.552 -301.936 -134.523 -207.903 75.6119 -252.503 29.7027 -582.828 PRESSAVG: 3498800 57.2385 -6.85459 5.22167 -6.85454 8.73981 14.3584 5.22166 14.3583 -10.4443 GPRESSAVG: 3498800 57.5956 -7.37659 5.5231 -6.45005 8.80613 15.4147 5.59658 13.5261 -11.6362 TIMING: 3498800 CPU: 11122.4, 0.00316813/step Wall: 11122.4, 0.00316813/step, 1.32111 hours remaining, 240.808594 MB of memory in use. ENERGY: 3498800 4008.5751 20741.3656 14499.9080 259.3938 -203281.5996 2384.9657 0.0000 0.0000 51913.9231 -109473.4681 298.3500 -161387.3912 -109117.7504 299.2507 -250.0943 -218.0407 761479.9247 18.5113 18.2552 PRESSURE: 3499000 -71.4999 -166.565 -31.7775 -166.566 22.1458 40.6602 -31.7773 40.6613 -289.817 GPRESSURE: 3499000 -73.0463 -124.315 -51.4287 -148.341 1.86926 12.5031 16.6225 74.9124 -168.68 PRESSAVG: 3499000 -34.9121 -22.7538 -5.2124 -22.7538 33.461 -14.0629 -5.21243 -14.0629 11.1834 GPRESSAVG: 3499000 -36.1452 -21.0286 -7.53746 -23.0355 33.8856 -16.1252 -5.03783 -10.8223 11.5023 TIMING: 3499000 CPU: 11123, 0.00315885/step Wall: 11123, 0.00315885/step, 1.31707 hours remaining, 240.808594 MB of memory in use. ENERGY: 3499000 3971.8596 20523.4026 14528.3936 238.1153 -203730.1675 2634.9897 0.0000 0.0000 52249.8076 -109583.5991 300.2804 -161833.4066 -109217.9536 299.4560 -113.0572 -79.9524 759331.8899 3.2441 3.0809 PRESSURE: 3499200 -372.914 -76.2917 -33.1401 -76.2917 -27.5097 33.5804 -33.1403 33.5799 113.718 GPRESSURE: 3499200 -278.136 -92.4904 -77.8343 18.8543 14.7386 43.1829 131.199 -59.4974 76.2905 PRESSAVG: 3499200 -23.8401 -26.2737 5.45149 -26.2736 14.761 3.10644 5.45148 3.10648 33.9189 GPRESSAVG: 3499200 -24.4344 -27.138 6.96067 -24.9013 13.7212 3.8311 6.79416 1.53134 35.6018 TIMING: 3499200 CPU: 11123.6, 0.00316987/step Wall: 11123.6, 0.00316987/step, 1.32148 hours remaining, 240.808594 MB of memory in use. ENERGY: 3499200 3916.0158 20509.9979 14428.4505 246.6426 -203282.3946 2603.4006 0.0000 0.0000 52078.3621 -109499.5251 299.2951 -161577.8872 -109127.9705 299.5338 -95.5685 -62.3691 761832.2212 8.2799 8.2962 PRESSURE: 3499400 101.422 114.807 249.008 114.807 144.015 4.22567 249.008 4.22726 217.292 GPRESSURE: 3499400 268.519 58.82 324.627 52.0682 110.874 32.1425 238.162 112.767 201.504 PRESSAVG: 3499400 -41.9403 -7.25654 3.80827 -7.25658 62.1724 8.26819 3.80828 8.26822 -11.5368 GPRESSAVG: 3499400 -40.5354 -6.78815 4.34022 -7.99683 62.5454 8.22377 1.80613 6.9983 -13.366 TIMING: 3499400 CPU: 11124.3, 0.00317418/step Wall: 11124.3, 0.00317418/step, 1.3231 hours remaining, 240.808594 MB of memory in use. ENERGY: 3499400 3971.3299 20650.0632 14419.9668 235.8734 -203712.3925 2678.6600 0.0000 0.0000 51946.4193 -109810.0798 298.5368 -161756.4991 -109448.2072 299.2825 154.2431 193.6321 760753.0262 2.8984 2.8813 PRESSURE: 3499600 66.0198 -84.2806 154.241 -84.2801 77.9134 -102.124 154.241 -102.124 -91.4314 GPRESSURE: 3499600 75.142 -9.67727 31.8694 -77.7632 149.612 -110.02 72.1652 -66.6179 -66.9808 PRESSAVG: 3499600 23.2608 -57.5769 17.8797 -57.5769 -14.6575 17.1511 17.8797 17.1511 3.55854 GPRESSAVG: 3499600 23.0511 -57.8214 17.469 -58.2211 -15.3091 18.5268 18.2526 20.5404 4.66742 TIMING: 3499600 CPU: 11124.9, 0.00316081/step Wall: 11124.9, 0.00316081/step, 1.31736 hours remaining, 240.808594 MB of memory in use. ENERGY: 3499600 3960.3064 20626.3234 14417.0625 260.0217 -203460.7887 2431.8475 0.0000 0.0000 52087.5908 -109677.6363 299.3481 -161765.2272 -109320.3729 299.1013 17.5006 52.5909 759334.1127 4.0539 4.1365 PRESSURE: 3499800 -95.6052 42.7669 58.1092 42.7667 -207.256 7.93653 58.1092 7.93733 -351.404 GPRESSURE: 3499800 -96.082 -0.221816 105.594 162.997 -171.974 23.8245 161.18 -11.1901 -309.289 PRESSAVG: 3499800 -35.0914 -10.0778 29.9501 -10.0779 19.3429 83.381 29.9501 83.3811 -11.2687 GPRESSAVG: 3499800 -34.6087 -9.84987 29.4149 -9.91425 18.9121 82.9632 30.6549 81.2238 -11.676 TIMING: 3499800 CPU: 11125.5, 0.0031529/step Wall: 11125.5, 0.0031529/step, 1.31388 hours remaining, 240.808594 MB of memory in use. ENERGY: 3499800 4037.9648 20587.1595 14473.8577 265.9496 -203361.7136 2384.5210 0.0000 0.0000 51947.1754 -109665.0857 298.5411 -161612.2610 -109310.1666 298.8428 -218.0884 -192.4484 761096.9647 -9.0057 -9.1242 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500000 -0.820676 -37.769 111.317 -37.7697 545.795 -82.4982 111.316 -82.4986 206.337 GPRESSURE: 3500000 123.968 20.4916 177.122 -99.2023 495.734 -76.9178 22.0291 -148.71 216.49 PRESSAVG: 3500000 -49.6028 22.0494 22.6774 22.0493 19.0777 -38.1101 22.6774 -38.1101 29.3935 GPRESSAVG: 3500000 -50.5539 21.8076 24.1442 21.8153 20.3906 -38.3127 21.2742 -38.3303 29.6137 TIMING: 3500000 CPU: 11126.2, 0.00325134/step Wall: 11126.2, 0.00325134/step, 1.35473 hours remaining, 240.808594 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: 3500000 3985.3966 20453.0213 14441.1375 229.4559 -203670.8030 2730.8401 0.0000 0.0000 52244.0639 -109586.8877 300.2474 -161830.9516 -109215.3595 299.3630 250.4370 278.7308 761173.0410 -0.3772 -0.1832 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 PRESSURE: 3500200 9.2194 -117.406 -20.3961 -117.406 178.607 316.105 -20.3967 316.105 -340.098 GPRESSURE: 3500200 71.8079 -85.7935 -70.7421 -102.589 211.32 348.461 -93.976 167.191 -360.218 PRESSAVG: 3500200 -16.3507 -25.9441 1.48814 -25.9441 23.7758 -49.4888 1.48816 -49.4889 6.49276 GPRESSAVG: 3500200 -16.6955 -27.7949 -0.86854 -25.4736 24.6992 -50.3025 3.62087 -48.3262 6.38423 TIMING: 3500200 CPU: 11126.8, 0.00315122/step Wall: 11126.8, 0.00315122/step, 1.31283 hours remaining, 240.808594 MB of memory in use. ENERGY: 3500200 3888.6531 20626.0297 14394.7808 249.6620 -203348.7861 2500.9378 0.0000 0.0000 52141.6953 -109547.0276 299.6590 -161688.7228 -109176.2460 299.1054 -50.7570 -25.6967 762065.1364 4.6393 4.7960 LDB: ============= START OF LOAD BALANCING ============== 11139.3 LDB: ============== END OF LOAD BALANCING =============== 11139.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.3 LDB: ============= START OF LOAD BALANCING ============== 11139.6 LDB: Largest compute 7075 load 0.034241 is 17.5% of average load 0.195244 LDB: Average compute 0.004412 is 2.3% of average load 0.195244 LDB: TIME 11139.6 LOAD: AVG 0.195244 MAX 0.214691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 11139.6 LOAD: AVG 0.195244 MAX 0.214691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: TIME 11139.6 LOAD: AVG 0.195244 MAX 0.214691 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: ============== END OF LOAD BALANCING =============== 11139.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.6 PRESSURE: 3500400 -130.335 135 13.8322 135 246.266 -36.9125 13.832 -36.912 -257.754 GPRESSURE: 3500400 -75.5458 57.1163 77.9513 232.007 215.798 -83.9471 60.3754 -31.9106 -191.632 PRESSAVG: 3500400 7.27642 -35.6114 -0.830582 -35.6115 -6.51326 2.11801 -0.830627 2.11804 -13.1952 GPRESSAVG: 3500400 8.35067 -33.9565 2.98877 -36.782 -7.59183 4.31389 -2.12205 0.874741 -12.8656 TIMING: 3500400 CPU: 11127.5, 0.00321647/step Wall: 11127.5, 0.00321647/step, 1.33984 hours remaining, 239.324219 MB of memory in use. ENERGY: 3500400 4019.4965 20490.2694 14446.3943 268.8769 -203287.6515 2288.7362 0.0000 0.0000 52083.5066 -109690.3716 299.3246 -161773.8782 -109320.4069 299.2401 -47.2746 -17.1265 759548.9019 -4.1440 -4.0356 PRESSURE: 3500600 -92.2316 65.6158 84.4096 65.6159 -72.8095 132.999 84.4103 132.999 -130.677 GPRESSURE: 3500600 -143.357 12.3318 66.618 10.474 14.3921 146.33 -1.15074 90.0939 -98.3539 PRESSAVG: 3500600 11.4171 8.10836 36.3452 8.10839 -7.19117 -31.9138 36.3452 -31.9138 -1.17348 GPRESSAVG: 3500600 10.9278 8.33613 33.9582 7.69701 -5.96253 -33.7828 35.9475 -30.9227 -2.12399 TIMING: 3500600 CPU: 11128.1, 0.00315375/step Wall: 11128.1, 0.00315375/step, 1.31354 hours remaining, 239.527344 MB of memory in use. ENERGY: 3500600 4054.3654 20771.6573 14391.6621 248.8291 -203560.8129 2552.5299 0.0000 0.0000 51555.9845 -109985.7846 296.2930 -161541.7690 -109635.8291 298.8441 -98.5729 -75.7728 759808.3277 1.0175 0.9471 PRESSURE: 3500800 174.628 95.9293 -76.8735 95.9299 49.3346 64.6695 -76.8734 64.6699 821.337 GPRESSURE: 3500800 197.131 66.4931 -129.61 93.0647 164.46 141.686 -74.7988 45.6985 764.791 PRESSAVG: 3500800 -10.8215 -28.8143 -61.735 -28.8143 -33.1546 -0.613341 -61.7351 -0.613299 38.0791 GPRESSAVG: 3500800 -10.321 -31.4252 -60.453 -26.8447 -33.1395 -0.883596 -60.9048 -2.23873 36.8401 TIMING: 3500800 CPU: 11128.7, 0.00315545/step Wall: 11128.7, 0.00315545/step, 1.31407 hours remaining, 239.527344 MB of memory in use. ENERGY: 3500800 3957.7988 20424.0692 14468.5060 268.7898 -203591.4361 2628.1477 0.0000 0.0000 51884.3488 -109959.7759 298.1801 -161844.1247 -109600.7458 298.1774 348.4331 375.4609 759399.2452 -1.9656 -2.2068 PRESSURE: 3501000 343.324 27.6596 -98.6124 27.6591 -291.823 60.2137 -98.6136 60.2142 29.9626 GPRESSURE: 3501000 282.93 57.6858 -110.216 89.95 -189.52 63.6724 -52.0627 33.4047 80.0883 PRESSAVG: 3501000 -27.2699 20.31 -28.7672 20.31 -8.44278 33.3934 -28.7672 33.3934 -22.7955 GPRESSAVG: 3501000 -27.7696 22.8027 -30.3135 21.5572 -9.1842 34.1281 -29.0051 33.8325 -21.3103 TIMING: 3501000 CPU: 11129.4, 0.00312945/step Wall: 11129.4, 0.00312945/step, 1.30307 hours remaining, 239.527344 MB of memory in use. ENERGY: 3501000 4044.8761 20506.0156 14368.1499 251.7419 -203952.2703 2900.7232 0.0000 0.0000 52028.7734 -109851.9902 299.0101 -161880.7636 -109479.8252 297.8528 27.1543 57.8327 760060.1746 -19.5027 -19.4214 PRESSURE: 3501200 -169.647 -79.971 -166.408 -79.9715 200.395 -344.379 -166.408 -344.379 -114.322 GPRESSURE: 3501200 -83.7289 -99.92 -309.874 -40.3816 207.754 -245.084 -122.447 -379.7 -83.9909 PRESSAVG: 3501200 4.24034 -25.0628 1.15441 -25.0628 9.31235 28.1572 1.15438 28.1571 -9.72299 GPRESSAVG: 3501200 4.0457 -24.6772 1.97152 -26.5145 9.48918 29.075 2.51844 26.4257 -9.91597 TIMING: 3501200 CPU: 11130, 0.00316207/step Wall: 11130, 0.00316207/step, 1.31647 hours remaining, 239.527344 MB of memory in use. ENERGY: 3501200 4006.9334 20455.9974 14382.4056 237.6586 -203575.3048 2623.5997 0.0000 0.0000 52089.3264 -109779.3836 299.3581 -161868.7100 -109427.6162 298.5417 -27.8576 13.3446 760396.9426 1.2766 1.2063 PRESSURE: 3501400 -154.826 -274.054 199.745 -274.054 89.1312 -0.244739 199.746 -0.245987 -632.844 GPRESSURE: 3501400 -77.9468 -272.696 157.259 -130.352 66.6747 53.5726 213.75 20.2781 -587.243 PRESSAVG: 3501400 -28.538 0.312658 24.9651 0.312617 26.7031 10.9684 24.9652 10.9685 22.7019 GPRESSAVG: 3501400 -28.02 0.0149875 24.4601 0.71629 26.143 9.51477 22.1225 15.7933 22.388 TIMING: 3501400 CPU: 11130.6, 0.00314813/step Wall: 11130.6, 0.00314813/step, 1.3105 hours remaining, 239.527344 MB of memory in use. ENERGY: 3501400 4068.9975 20520.6762 14442.1324 240.2581 -203320.0468 2457.4330 0.0000 0.0000 51891.1597 -109699.3898 298.2192 -161590.5495 -109342.8982 298.2588 -232.8462 -199.5052 760149.4938 6.9557 6.8370 PRESSURE: 3501600 -106.686 257.101 -370.218 257.102 332.746 -12.0242 -370.217 -12.0245 561.401 GPRESSURE: 3501600 -106.571 190.688 -363.416 188.218 347.39 41.2402 -308.339 -7.58112 607.769 PRESSAVG: 3501600 -45.1613 -19.6135 2.17397 -19.6135 69.0555 20.8328 2.17402 20.8327 -18.9745 GPRESSAVG: 3501600 -45.9374 -19.6102 2.15964 -19.8017 70.1801 20.6646 4.23473 20.9865 -19.2479 TIMING: 3501600 CPU: 11131.2, 0.00315183/step Wall: 11131.2, 0.00315183/step, 1.31186 hours remaining, 239.527344 MB of memory in use. ENERGY: 3501600 3967.9219 20547.9843 14418.1416 241.8266 -204005.6046 2855.1670 0.0000 0.0000 52055.3055 -109919.2578 299.1626 -161974.5633 -109550.9669 298.4765 262.4871 282.8628 760391.2353 1.6399 1.6649 PRESSURE: 3501800 -47.8578 11.0236 121.64 11.0234 378.345 -101.109 121.641 -101.11 371.719 GPRESSURE: 3501800 96.9754 78.1534 181.228 75.1046 292.004 -81.4606 144.99 -238.454 391.934 PRESSAVG: 3501800 -50.3244 -2.10749 16.0058 -2.10742 20.1376 7.19677 16.0059 7.19678 -9.57153 GPRESSAVG: 3501800 -49.6464 -2.82426 16.0902 -1.42217 18.449 7.76511 16.5118 5.42234 -9.30351 TIMING: 3501800 CPU: 11131.9, 0.00316418/step Wall: 11131.9, 0.00316418/step, 1.31683 hours remaining, 239.527344 MB of memory in use. ENERGY: 3501800 3951.2668 20521.1085 14385.0748 250.2989 -204141.4812 2893.2645 0.0000 0.0000 52046.8003 -110093.6675 299.1137 -162140.4678 -109721.0200 298.2321 234.0688 260.3045 760121.8476 -13.2528 -13.5003 PRESSURE: 3502000 136.7 -270.426 64.6165 -270.425 164.622 -83.3364 64.6165 -83.3361 -238.974 GPRESSURE: 3502000 76.7533 -181.048 34.0781 -263.47 282.869 -75.3056 4.63016 -74.2468 -230.33 PRESSAVG: 3502000 -27.9135 66.5125 14.2644 66.5125 55.6554 42.9829 14.2644 42.9829 -13.0466 GPRESSAVG: 3502000 -28.3557 68.593 14.525 66.7953 56.4046 41.9859 15.2978 43.0835 -13.0385 TIMING: 3502000 CPU: 11132.5, 0.00315651/step Wall: 11132.5, 0.00315651/step, 1.31346 hours remaining, 239.527344 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: 3502000 3948.2829 20564.7632 14357.7561 243.2434 -203834.5576 2704.3102 0.0000 0.0000 51883.0728 -110133.1290 298.1727 -162016.2018 -109764.0943 298.1412 20.7828 43.0975 760149.6104 4.8984 5.0035 PRESSURE: 3502200 1.77423 -37.7994 -17.0453 -37.7988 -121.959 111.106 -17.0446 111.106 145.178 GPRESSURE: 3502200 -6.08798 -33.81 23.0078 -64.1801 -109.143 82.8278 -65.5843 105.847 215.914 PRESSAVG: 3502200 -70.4866 52.9358 -69.5573 52.9358 102.922 56.6467 -69.5573 56.6467 -25.0975 GPRESSAVG: 3502200 -71.543 53.411 -69.7747 53.5474 103.801 57.3035 -71.3147 56.6005 -25.223 TIMING: 3502200 CPU: 11133.1, 0.0031642/step Wall: 11133.1, 0.0031642/step, 1.31648 hours remaining, 239.527344 MB of memory in use. ENERGY: 3502200 3962.3923 20515.9964 14464.0617 252.5102 -203137.9432 2056.8482 0.0000 0.0000 51644.7013 -110241.4332 296.8028 -161886.1345 -109875.7156 297.9334 8.3313 33.5611 758507.9804 2.4461 2.3449 PRESSURE: 3502400 -88.9127 -15.9842 -98.8727 -15.9844 67.0109 71.2202 -98.8728 71.2198 286.071 GPRESSURE: 3502400 -50.905 -110.673 -72.4786 -40.9548 103.128 68.5056 -25.6553 45.3108 301 PRESSAVG: 3502400 -25.8734 13.093 -2.4922 13.093 45.6648 -15.3897 -2.4922 -15.3897 16.7982 GPRESSAVG: 3502400 -25.6882 11.8396 -1.52382 12.5002 45.577 -15.4368 -2.98368 -16.514 17.0044 TIMING: 3502400 CPU: 11133.8, 0.0031693/step Wall: 11133.8, 0.0031693/step, 1.31843 hours remaining, 239.527344 MB of memory in use. ENERGY: 3502400 3899.0848 20514.1730 14415.2283 247.1015 -203294.1431 2178.8292 0.0000 0.0000 51978.0747 -110061.6515 298.7187 -162039.7262 -109688.0042 297.6672 88.0565 117.7412 758265.4599 12.1965 12.2977 PRESSURE: 3502600 -161.701 -56.4676 -70.9156 -56.4666 26.88 181.081 -70.916 181.081 -440.93 GPRESSURE: 3502600 -156.419 -149.304 -47.2397 -22.6473 75.5525 194.851 -20.7159 207.698 -402.894 PRESSAVG: 3502600 -34.4431 -2.37191 11.8673 -2.37197 15.0206 69.4286 11.8674 69.4286 -10.6507 GPRESSAVG: 3502600 -34.5158 -2.78782 12.525 -4.18391 14.423 70.6828 14.5085 69.9787 -10.0401 TIMING: 3502600 CPU: 11134.4, 0.00316503/step Wall: 11134.4, 0.00316504/step, 1.31648 hours remaining, 239.527344 MB of memory in use. ENERGY: 3502600 3961.7654 20309.2140 14458.3710 251.8370 -203233.7394 2422.7684 0.0000 0.0000 51653.5858 -110176.1979 296.8539 -161829.7837 -109805.3116 297.5725 -191.9171 -161.2535 761208.6056 -10.0244 -10.0443 PRESSURE: 3502800 -272.54 30.3927 -111.439 30.3922 -91.146 118.994 -111.439 118.994 -350.489 GPRESSURE: 3502800 -295.17 -87.3686 -85.2655 231.037 -63.4931 160.704 36.3909 78.6152 -272.778 PRESSAVG: 3502800 35.2407 -40.4812 -9.78315 -40.4812 1.4695 49.6421 -9.78319 49.6421 7.26262 GPRESSAVG: 3502800 36.9067 -39.1122 -10.9154 -38.5204 0.968305 49.8778 -9.75068 51.0233 5.65463 TIMING: 3502800 CPU: 11135, 0.00315815/step Wall: 11135, 0.00315815/step, 1.31344 hours remaining, 239.527344 MB of memory in use. ENERGY: 3502800 4058.5021 20575.4703 14444.8597 233.9777 -203634.8794 2391.7441 0.0000 0.0000 51861.3550 -110068.9705 298.0479 -161930.3255 -109715.5550 297.9836 -238.0581 -210.4803 760834.2379 14.6576 14.5099 PRESSURE: 3503000 76.3641 -124.327 71.8367 -124.327 -63.5048 -124.542 71.8357 -124.542 7.02363 GPRESSURE: 3503000 222.733 -97.1797 118.44 -194.116 -155.144 -121.578 114.364 -123.957 26.5798 PRESSAVG: 3503000 -25.6829 -1.73757 -5.68885 -1.73757 59.4959 20.0732 -5.68887 20.0733 7.62541 GPRESSAVG: 3503000 -26.2506 -0.371583 -4.42397 -2.96929 59.5951 20.2293 -5.32601 18.9939 7.87526 TIMING: 3503000 CPU: 11135.7, 0.00316107/step Wall: 11135.7, 0.00316107/step, 1.31448 hours remaining, 239.527344 MB of memory in use. ENERGY: 3503000 3991.5532 20572.0916 14455.5543 247.9388 -203743.8562 2393.7317 0.0000 0.0000 51975.3547 -110107.6320 298.7031 -162082.9866 -109744.9661 298.2970 6.6277 31.3895 760169.2056 13.8128 13.7399 PRESSURE: 3503200 229.033 12.0046 -72.9459 12.0049 -114.1 278.964 -72.946 278.963 381.628 GPRESSURE: 3503200 187.831 -83.5702 -58.6035 153.287 29.275 287.008 -154.836 151.792 372.531 PRESSAVG: 3503200 -52.3876 -1.36902 5.58939 -1.369 3.6274 -9.88323 5.58943 -9.88328 -16.2152 GPRESSAVG: 3503200 -53.8389 -1.31144 4.79246 -0.957894 3.80103 -10.8854 4.57198 -10.339 -15.2523 TIMING: 3503200 CPU: 11136.3, 0.003147/step Wall: 11136.3, 0.003147/step, 1.30845 hours remaining, 239.527344 MB of memory in use. ENERGY: 3503200 3977.5349 20527.6025 14421.3471 243.8314 -204299.7405 3051.1453 0.0000 0.0000 52043.1136 -110035.1657 299.0925 -162078.2793 -109661.9387 298.6235 165.5204 196.5458 758907.6271 -21.6585 -21.7634 PRESSURE: 3503400 75.8315 -179.281 143.012 -179.281 65.6007 -152.118 143.012 -152.119 371.687 GPRESSURE: 3503400 213.402 -47.2069 95.5304 -233.117 95.8406 -148.041 153.366 -34.622 294.828 PRESSAVG: 3503400 69.8562 10.8442 16.0411 10.8442 -78.201 -14.855 16.041 -14.855 31.9227 GPRESSAVG: 3503400 72.1773 9.7953 16.4719 12.1672 -79.1336 -15.8453 14.1536 -12.3653 29.9951 TIMING: 3503400 CPU: 11136.9, 0.00315323/step Wall: 11136.9, 0.00315323/step, 1.31087 hours remaining, 239.527344 MB of memory in use. ENERGY: 3503400 3919.6502 20526.5129 14422.9307 273.7876 -203881.6826 2777.1869 0.0000 0.0000 52103.4431 -109858.1712 299.4392 -161961.6143 -109498.3462 298.3602 171.0397 201.3569 758829.1769 7.8593 7.6796 PRESSURE: 3503600 -110.63 214.859 70.6102 214.86 -150.367 89.8572 70.6106 89.8577 -76.901 GPRESSURE: 3503600 -73.0143 153.186 149.413 155.431 -115.266 90.5006 133.797 94.935 -86.3246 PRESSAVG: 3503600 30.4388 1.64173 6.73023 1.64177 -30.5665 -16.0376 6.73024 -16.0376 1.0574 GPRESSAVG: 3503600 30.3557 0.906936 5.88965 0.714793 -31.1342 -15.338 8.81703 -16.376 1.81085 TIMING: 3503600 CPU: 11137.6, 0.00314643/step Wall: 11137.6, 0.00314643/step, 1.30787 hours remaining, 239.527344 MB of memory in use. ENERGY: 3503600 3944.0383 20559.4887 14399.2944 242.6531 -203723.1431 2780.8795 0.0000 0.0000 51940.7967 -109855.9924 298.5045 -161796.7891 -109490.1965 298.8333 -112.6326 -91.5351 760804.1520 0.3099 0.3441 PRESSURE: 3503800 -99.312 -73.2246 52.5204 -73.2243 -204.277 0.987104 52.5206 0.988024 -282.183 GPRESSURE: 3503800 -78.8675 -21.0701 41.1688 -92.974 -70.2568 -10.4495 50.1979 -121.286 -332.959 PRESSAVG: 3503800 -64.3549 2.20467 -28.6763 2.20473 33.2963 18.8055 -28.6763 18.8055 -4.70476 GPRESSAVG: 3503800 -66.2489 4.46502 -27.8163 1.75551 35.3122 20.2689 -28.2647 16.6939 -4.64481 TIMING: 3503800 CPU: 11138.2, 0.00315164/step Wall: 11138.2, 0.00315164/step, 1.30986 hours remaining, 239.527344 MB of memory in use. ENERGY: 3503800 4021.8528 20457.1350 14450.3030 237.7729 -203566.7632 2542.8765 0.0000 0.0000 52029.6442 -109827.1788 299.0151 -161856.8230 -109456.8540 299.0201 -195.2575 -160.6944 758880.4591 -11.9211 -11.8605 PRESSURE: 3504000 72.7774 54.4117 -127.02 54.4117 -49.7083 -134.408 -127.019 -134.407 -98.9015 GPRESSURE: 3504000 132.28 11.7582 -133.71 91.6756 -27.1435 -79.1522 -67.6437 36.6646 -98.7781 PRESSAVG: 3504000 11.9684 34.4729 16.4143 34.4728 34.3332 -65.0752 16.4143 -65.0752 17.8816 GPRESSAVG: 3504000 12.5367 32.5771 16.4946 35.356 33.6462 -67.6024 14.231 -63.6737 18.4034 TIMING: 3504000 CPU: 11138.8, 0.00317151/step Wall: 11138.8, 0.00317151/step, 1.31794 hours remaining, 239.527344 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: 3504000 3905.0444 20809.4980 14402.8891 235.2985 -203547.5742 2523.7560 0.0000 0.0000 52014.2914 -109656.7968 298.9268 -161671.0882 -109305.4890 299.2602 -25.2774 2.1195 759037.2996 21.3944 21.5288 PRESSURE: 3504200 -211.666 -107.201 -324.291 -107.201 -313.144 33.5525 -324.291 33.5528 -175.247 GPRESSURE: 3504200 -285.114 -139.661 -308.159 -69.84 -214.69 68.2916 -321.61 -175.041 -111.402 PRESSAVG: 3504200 -46.4778 -4.24474 -53.2301 -4.24468 52.2331 -59.6789 -53.2301 -59.6789 -22.6983 GPRESSAVG: 3504200 -46.5776 -2.41264 -54.1639 -5.08094 53.0601 -59.2571 -51.54 -60.1523 -23.0377 TIMING: 3504200 CPU: 11139.5, 0.00316838/step Wall: 11139.5, 0.00316838/step, 1.31646 hours remaining, 239.527344 MB of memory in use. ENERGY: 3504200 4052.0064 20613.9368 14422.8789 260.0977 -203442.7485 2581.0262 0.0000 0.0000 51775.5818 -109737.2207 297.5550 -161512.8025 -109373.4335 298.9532 -233.3522 -203.7355 759938.5420 -5.6477 -5.5184 LDB: ============= START OF LOAD BALANCING ============== 11151.9 LDB: ============== END OF LOAD BALANCING =============== 11151.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151.9 LDB: ============= START OF LOAD BALANCING ============== 11152.2 LDB: Largest compute 7063 load 0.034569 is 17.7% of average load 0.195359 LDB: Average compute 0.004380 is 2.2% of average load 0.195359 LDB: TIME 11152.2 LOAD: AVG 0.195359 MAX 0.216411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 11152.2 LOAD: AVG 0.195359 MAX 0.216411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: TIME 11152.2 LOAD: AVG 0.195359 MAX 0.216411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: ============== END OF LOAD BALANCING =============== 11152.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11152.2 Info: useSync: 0 useProxySync: 0 PRESSURE: 3504400 -336.384 -163.035 117.751 -163.035 -133.898 195.276 117.75 195.276 -337.236 GPRESSURE: 3504400 -314.105 -121.567 115.326 -102.282 -166.916 286.685 -11.9342 160.97 -251.357 PRESSAVG: 3504400 -10.9146 29.1714 -56.3935 29.1714 31.4224 18.4105 -56.3934 18.4105 19.4347 GPRESSAVG: 3504400 -11.1298 28.9856 -55.6049 27.9168 30.5344 19.3494 -57.998 17.9033 20.2905 TIMING: 3504400 CPU: 11140.1, 0.00321366/step Wall: 11140.1, 0.00321366/step, 1.3351 hours remaining, 240.093750 MB of memory in use. ENERGY: 3504400 4006.9630 20670.9784 14462.8515 233.7108 -203549.7828 2554.1430 0.0000 0.0000 51913.9250 -109707.2111 298.3500 -161621.1361 -109344.6950 299.5339 -269.1727 -244.1259 759936.5891 13.3142 13.2317 PRESSURE: 3504600 -311.762 262.23 -11.8302 262.23 -167.348 208.248 -11.8297 208.248 -200.576 GPRESSURE: 3504600 -262.039 172.084 -96.2661 155.612 -173.546 205.45 47.6796 160.619 -170.768 PRESSAVG: 3504600 -13.7887 37.0563 -27.3178 37.0564 24.2482 31.1393 -27.3177 31.1394 -3.65984 GPRESSAVG: 3504600 -15.232 36.5243 -26.9469 37.7314 24.5878 32.0962 -26.4233 33.338 -2.99117 TIMING: 3504600 CPU: 11140.7, 0.0031545/step Wall: 11140.7, 0.0031545/step, 1.31034 hours remaining, 240.164062 MB of memory in use. ENERGY: 3504600 3982.7056 20572.0865 14495.1840 233.2899 -203423.0473 2348.2417 0.0000 0.0000 52041.8001 -109749.7396 299.0849 -161791.5397 -109392.0798 299.2109 -226.5620 -202.1175 761345.3936 2.2666 2.1216 PRESSURE: 3504800 -486.586 -394.18 -55.3498 -394.179 118.159 -223.865 -55.3495 -223.865 -67.3596 GPRESSURE: 3504800 -347.839 -310.11 -6.63248 -241.983 107.518 -200.911 -127.31 -117.47 -118.155 PRESSAVG: 3504800 2.60218 -11.9678 4.39054 -11.9679 15.9608 0.452159 4.39063 0.452171 -26.1235 GPRESSAVG: 3504800 4.21644 -12.2036 5.28358 -10.0582 15.3481 -0.859928 3.61927 -1.37266 -27.3404 TIMING: 3504800 CPU: 11141.4, 0.00317482/step Wall: 11141.4, 0.00317482/step, 1.31861 hours remaining, 240.164062 MB of memory in use. ENERGY: 3504800 4032.1488 20509.9982 14510.7119 239.7707 -203259.7355 2291.7694 0.0000 0.0000 52079.2811 -109596.0553 299.3003 -161675.3364 -109238.0911 299.1625 -145.2619 -119.4920 760358.7477 -2.5202 -2.5919 PRESSURE: 3505000 64.4617 14.5025 -77.0345 14.5024 479.281 58.5599 -77.035 58.5601 167.157 GPRESSURE: 3505000 112.946 -130.199 -71.6987 41.3811 459.12 23.785 -13.4364 129.133 218.091 PRESSAVG: 3505000 -40.4023 -14.9621 -1.39973 -14.9621 4.98825 29.5623 -1.3997 29.5624 -6.45588 GPRESSAVG: 3505000 -39.6952 -16.3271 -2.29521 -16.9675 4.70365 30.1565 -0.87851 28.642 -6.09701 TIMING: 3505000 CPU: 11142, 0.00315825/step Wall: 11142, 0.00315825/step, 1.31155 hours remaining, 240.164062 MB of memory in use. ENERGY: 3505000 4017.2636 20540.1842 14490.4102 242.9630 -203475.5391 2648.2756 0.0000 0.0000 52117.7623 -109418.6803 299.5215 -161536.4426 -109051.4265 299.3653 236.9666 263.3855 761315.9011 -13.9567 -13.6962 PRESSURE: 3505200 -154.667 -40.8586 -7.35148 -40.8588 -233.23 81.853 -7.35141 81.8533 -183.245 GPRESSURE: 3505200 -127.641 10.1158 19.2719 -155.443 -142.983 125.984 -36.1906 -29.3494 -193.407 PRESSAVG: 3505200 -37.5864 -32.1488 24.72 -32.1487 59.9926 19.0031 24.72 19.0031 2.38478 GPRESSAVG: 3505200 -36.8929 -31.0497 23.8819 -30.5819 59.1436 18.3991 24.6413 21.1394 2.35419 TIMING: 3505200 CPU: 11142.6, 0.00315846/step Wall: 11142.6, 0.00315846/step, 1.31146 hours remaining, 240.164062 MB of memory in use. ENERGY: 3505200 4081.7061 20412.4604 14488.3605 226.8445 -203203.4335 2458.8760 0.0000 0.0000 52039.1219 -109496.0641 299.0695 -161535.1860 -109127.0934 299.6024 -190.3807 -154.6772 761867.5208 8.2637 8.2016 PRESSURE: 3505400 122.282 -187.688 77.1012 -187.688 96.6264 -414.479 77.102 -414.478 41.6042 GPRESSURE: 3505400 115.055 -121.512 -86.2131 -83.6355 179.244 -437.701 156.446 -393.68 60.993 PRESSAVG: 3505400 -15.7464 48.5949 -58.6607 48.5949 -6.62295 -13.1002 -58.6607 -13.1002 7.48859 GPRESSAVG: 3505400 -16.8964 48.2886 -59.5246 49.571 -5.5313 -12.4294 -58.0052 -15.5861 7.40572 TIMING: 3505400 CPU: 11143.3, 0.00316996/step Wall: 11143.3, 0.00316996/step, 1.31606 hours remaining, 240.164062 MB of memory in use. ENERGY: 3505400 4069.9128 20632.5926 14495.5511 245.2637 -203523.2521 2599.3811 0.0000 0.0000 51903.1153 -109577.4354 298.2879 -161480.5507 -109216.1465 299.1652 86.8377 118.4305 759065.2530 -4.9603 -5.0073 PRESSURE: 3505600 -158.148 67.7025 -159.162 67.7023 467.965 107.052 -159.162 107.053 45.5836 GPRESSURE: 3505600 -103.145 80.7429 -173.68 -12.7986 530.625 41.4406 -137.358 -0.944446 11.6548 PRESSAVG: 3505600 -41.9115 12.7258 -32.3468 12.7257 57.5598 43.4901 -32.3468 43.4901 -16.6521 GPRESSAVG: 3505600 -41.9284 11.9512 -31.4528 12.0016 58.5187 42.6645 -30.9455 43.2921 -17.7912 TIMING: 3505600 CPU: 11143.9, 0.00318478/step Wall: 11143.9, 0.00318478/step, 1.32204 hours remaining, 240.164062 MB of memory in use. ENERGY: 3505600 3963.7100 20528.6710 14555.5566 238.4001 -203387.8418 2521.6778 0.0000 0.0000 52114.5288 -109465.2974 299.5029 -161579.8263 -109092.6227 299.1141 118.4668 146.3782 760949.2586 -0.3346 -0.4003 PRESSURE: 3505800 -232.119 111.824 -157.743 111.824 -493.014 64.8861 -157.743 64.8857 -269.815 GPRESSURE: 3505800 -259.398 180.187 -172.216 133.651 -399.448 78.3385 -263.432 8.40982 -233.717 PRESSAVG: 3505800 -35.6509 -20.7745 -39.6729 -20.7746 21.1142 13.1512 -39.6728 13.1512 -6.94017 GPRESSAVG: 3505800 -35.8534 -18.1185 -39.1153 -21.5852 20.2168 13.7528 -41.4674 13.6303 -5.90585 TIMING: 3505800 CPU: 11144.5, 0.00315244/step Wall: 11144.5, 0.00315244/step, 1.30844 hours remaining, 240.164062 MB of memory in use. ENERGY: 3505800 3958.0706 20481.2281 14529.8606 242.5952 -203444.2658 2539.5107 0.0000 0.0000 51992.1420 -109700.8586 298.7996 -161693.0006 -109325.0008 299.6439 -331.6492 -297.5208 763083.2304 -7.1589 -7.1808 PRESSURE: 3506000 -77.5561 194.601 189.302 194.601 196.2 -63.131 189.303 -63.1304 -264.796 GPRESSURE: 3506000 -54.4916 142.255 161.881 99.0206 175.546 -39.7232 116.934 -60.5938 -164.617 PRESSAVG: 3506000 -44.9948 5.84159 -52.4952 5.84163 5.15042 -42.9845 -52.4952 -42.9845 2.1957 GPRESSAVG: 3506000 -44.8307 4.9288 -52.428 4.63584 4.66183 -42.7811 -51.3433 -44.1408 2.54503 TIMING: 3506000 CPU: 11145.2, 0.00315187/step Wall: 11145.2, 0.00315187/step, 1.30803 hours remaining, 240.164062 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: 3506000 3978.3234 20580.4966 14448.0338 237.3701 -203513.3996 2697.6982 0.0000 0.0000 52030.2286 -109541.2489 299.0184 -161571.4775 -109177.8644 298.9294 -48.7174 -14.5208 761181.1081 -12.5495 -12.5413 PRESSURE: 3506200 47.0606 -121.487 -125.827 -121.486 -25.8158 212.928 -125.828 212.928 -60.877 GPRESSURE: 3506200 76.1204 36.0703 -140.748 -72.7393 -6.22641 163.431 -31.2445 270.346 -4.6212 PRESSAVG: 3506200 -48.5329 -34.8785 -77.8291 -34.8786 73.3079 7.79188 -77.8291 7.79197 -27.6683 GPRESSAVG: 3506200 -48.6846 -34.5525 -78.296 -33.7466 73.9837 6.96364 -76.3461 8.2965 -28.4686 TIMING: 3506200 CPU: 11145.8, 0.00318105/step Wall: 11145.8, 0.00318105/step, 1.31996 hours remaining, 240.164062 MB of memory in use. ENERGY: 3506200 3969.8793 20564.7707 14423.7449 242.8567 -203546.3849 2672.6789 0.0000 0.0000 52058.2924 -109614.1619 299.1797 -161672.4544 -109251.9812 299.1522 -13.2107 21.7576 762114.0524 -0.9644 -1.0565 PRESSURE: 3506400 59.1997 124.907 -50.2125 124.906 52.9675 -41.6507 -50.2123 -41.6504 140.23 GPRESSURE: 3506400 197.004 18.8596 -10.3308 133.554 42.1058 -139.215 -22.866 -55.3312 112.151 PRESSAVG: 3506400 -35.7249 -38.7106 -0.805306 -38.7107 36.7322 0.747734 -0.805387 0.747627 -16.9984 GPRESSAVG: 3506400 -35.6876 -41.277 0.0354911 -36.6501 36.5297 0.6886 -4.04222 2.31693 -16.9665 TIMING: 3506400 CPU: 11146.4, 0.00316491/step Wall: 11146.4, 0.00316491/step, 1.31309 hours remaining, 240.164062 MB of memory in use. ENERGY: 3506400 3995.0331 20399.1932 14459.5238 245.8598 -203452.6729 2572.1047 0.0000 0.0000 52258.0046 -109522.9537 300.3275 -161780.9583 -109148.8420 299.2852 84.1324 117.0871 762478.5779 -5.3304 -5.3748 PRESSURE: 3506600 115.253 30.8024 -102.954 30.8016 221.32 -124.764 -102.953 -124.763 100.681 GPRESSURE: 3506600 119.206 -26.2881 -91.2248 37.7401 271.701 -114.919 -93.355 -69.8869 126.07 PRESSAVG: 3506600 -39.1973 6.57761 -29.7451 6.57763 -3.64626 -6.43625 -29.7451 -6.43626 21.1607 GPRESSAVG: 3506600 -40.4018 9.37251 -29.1423 6.17269 -3.00533 -5.62077 -27.431 -5.88154 21.7684 TIMING: 3506600 CPU: 11147.1, 0.00315641/step Wall: 11147.1, 0.00315641/step, 1.30938 hours remaining, 240.164062 MB of memory in use. ENERGY: 3506600 3973.5567 20573.1546 14454.0452 238.6390 -203716.5238 2800.7448 0.0000 0.0000 51991.7958 -109684.5877 298.7976 -161676.3835 -109328.4866 299.1232 145.7511 172.3258 762073.8374 -7.2276 -7.2129 PRESSURE: 3506800 -373.55 144.435 -84.3464 144.435 -255.471 -71.0164 -84.3467 -71.0167 -404.142 GPRESSURE: 3506800 -329.64 108.368 -29.8056 192.426 -202.521 -10.4468 -223.127 -26.8139 -420.123 PRESSAVG: 3506800 0.248517 24.0834 -10.3476 24.0834 0.419539 29.153 -10.3477 29.1529 -1.25378 GPRESSAVG: 3506800 1.34526 21.079 -10.2273 22.5481 -0.769291 28.872 -10.0551 28.8969 -1.56843 TIMING: 3506800 CPU: 11147.7, 0.00316113/step Wall: 11147.7, 0.00316113/step, 1.31116 hours remaining, 240.164062 MB of memory in use. ENERGY: 3506800 3978.9140 20550.4923 14518.8735 252.5749 -203469.1041 2481.8221 0.0000 0.0000 51834.3734 -109852.0539 297.8929 -161686.4273 -109493.3596 298.6662 -344.3873 -317.4280 762745.6711 -0.1952 -0.3308 PRESSURE: 3507000 -76.0899 -208.898 97.7586 -208.899 50.1639 -101.147 97.7582 -101.147 479.469 GPRESSURE: 3507000 7.14037 -229.354 123.039 -126.331 82.3252 -151.023 47.0707 -65.5408 464.71 PRESSAVG: 3507000 -88.9212 -3.70095 32.5963 -3.70095 42.0086 38.3508 32.5962 38.3506 -5.08874 GPRESSAVG: 3507000 -89.2226 -4.01939 33.2402 -2.37109 41.3717 39.5767 33.0169 37.7996 -4.28555 TIMING: 3507000 CPU: 11148.3, 0.00317571/step Wall: 11148.3, 0.00317571/step, 1.31704 hours remaining, 240.164062 MB of memory in use. ENERGY: 3507000 3956.7084 20357.4489 14464.3540 263.8374 -203521.2139 2662.1675 0.0000 0.0000 52035.8222 -109780.8755 299.0506 -161816.6978 -109421.2874 298.3202 151.1812 184.7252 761089.7012 -17.3338 -17.3788 PRESSURE: 3507200 -332.648 92.3099 203.895 92.3108 -112.162 -182.221 203.894 -182.221 -403.283 GPRESSURE: 3507200 -236.81 138.678 195.987 188.269 -140.291 -106.233 211.422 -163.728 -373.295 PRESSAVG: 3507200 -11.1278 -23.7656 11.799 -23.7656 18.0794 -69.0165 11.799 -69.0165 -18.2659 GPRESSAVG: 3507200 -10.5019 -21.397 10.547 -23.966 18.5823 -69.2795 13.5122 -69.4116 -19.4001 TIMING: 3507200 CPU: 11149, 0.00315504/step Wall: 11149, 0.00315504/step, 1.30829 hours remaining, 240.164062 MB of memory in use. ENERGY: 3507200 4054.9119 20492.7492 14441.7461 263.6995 -203665.3090 2454.1875 0.0000 0.0000 52217.8178 -109740.1970 300.0965 -161958.0148 -109380.0907 298.8491 -282.6978 -250.1320 761082.6682 -3.7714 -3.7732 PRESSURE: 3507400 276.362 52.9117 84.7159 52.9105 107.007 51.3422 84.7161 51.3431 35.3161 GPRESSURE: 3507400 228.881 35.1946 105.22 32.7123 186.147 -9.74785 -72.7216 76.9477 79.9041 PRESSAVG: 3507400 -7.66001 13.8003 4.00097 13.8004 34.9318 2.39835 4.00095 2.39834 -4.61855 GPRESSAVG: 3507400 -8.08698 12.4875 2.70905 12.1384 35.6642 2.19921 1.44654 2.23739 -4.78099 TIMING: 3507400 CPU: 11149.6, 0.00314712/step Wall: 11149.6, 0.00314712/step, 1.30483 hours remaining, 240.164062 MB of memory in use. ENERGY: 3507400 3955.8926 20376.9062 14530.6993 239.1968 -204092.7792 2952.8978 0.0000 0.0000 52279.3770 -109757.8095 300.4503 -162037.1865 -109390.1099 298.6538 139.5618 164.9771 759764.7796 7.5511 7.5987 PRESSURE: 3507600 88.5206 90.7101 -179.018 90.7096 -111.693 117.89 -179.017 117.891 -66.9379 GPRESSURE: 3507600 100.076 61.4264 -151.717 121.995 -47.8495 91.4146 -157.248 228.081 -58.8723 PRESSAVG: 3507600 31.4948 2.23355 20.9765 2.23355 -63.2657 37.347 20.9766 37.347 1.59942 GPRESSAVG: 3507600 30.2141 4.08259 21.5963 4.35657 -62.8352 38.3605 20.7634 38.5401 1.61376 TIMING: 3507600 CPU: 11150.2, 0.00317025/step Wall: 11150.2, 0.00317025/step, 1.31425 hours remaining, 240.164062 MB of memory in use. ENERGY: 3507600 3986.5716 20541.2828 14366.5453 233.7324 -203569.9618 2683.0557 0.0000 0.0000 51851.5891 -109907.1848 297.9918 -161758.7739 -109551.0781 298.8077 -30.0368 -2.2154 759545.0257 -10.0571 -10.3358 PRESSURE: 3507800 -309.834 45.0546 -5.43865 45.0542 52.5456 -121.832 -5.43833 -121.832 24.0312 GPRESSURE: 3507800 -186.079 -0.675539 -16.4022 2.81981 -73.981 13.217 -111.098 -145.429 140.168 PRESSAVG: 3507800 19.105 -7.8886 -2.75292 -7.88857 18.3266 -22.6672 -2.75288 -22.6672 8.59044 GPRESSAVG: 3507800 20.4598 -9.25864 -2.44614 -8.36104 18.1074 -22.028 -0.96304 -24.3041 8.12753 TIMING: 3507800 CPU: 11150.9, 0.00314205/step Wall: 11150.9, 0.00314205/step, 1.30238 hours remaining, 240.164062 MB of memory in use. ENERGY: 3507800 4050.3499 20579.5005 14450.4595 249.3864 -203501.4419 2571.9667 0.0000 0.0000 52015.4659 -109584.3130 298.9336 -161599.7789 -109232.5742 299.4358 -77.7524 -39.9638 759549.7116 15.3407 15.5649 PRESSURE: 3508000 -595.981 -152.23 49.2754 -152.23 -228.558 -76.1872 49.2763 -76.1871 90.1032 GPRESSURE: 3508000 -491.836 -173.183 130.101 18.9025 -142.9 -100.63 -26.4654 -168.674 2.53174 PRESSAVG: 3508000 22.0086 1.17652 -6.24276 1.1766 -22.2836 -20.3109 -6.2427 -20.311 -16.61 GPRESSAVG: 3508000 22.1617 1.27589 -5.59331 2.47729 -22.4419 -21.8741 -9.15049 -19.9717 -15.8552 TIMING: 3508000 CPU: 11151.5, 0.00314271/step Wall: 11151.5, 0.00314271/step, 1.30248 hours remaining, 240.164062 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: 3508000 3955.2946 20471.3361 14503.8913 232.2133 -202986.6375 1907.1811 0.0000 0.0000 52068.0796 -109848.6416 299.2360 -161916.7212 -109481.2909 299.2630 -244.8119 -210.7349 759485.8007 -5.6284 -5.3785 PRESSURE: 3508200 -58.5416 104.499 -214.619 104.499 192.732 88.8444 -214.619 88.8438 -15.2165 GPRESSURE: 3508200 -150.18 187.288 -248.573 47.441 269.512 118.301 -49.5601 -15.2219 99.2163 PRESSAVG: 3508200 -37.7358 -16.0771 -15.1594 -16.0771 26.5111 31.2592 -15.1593 31.2592 24.6762 GPRESSAVG: 3508200 -38.3618 -15.4884 -16.1587 -16.2669 26.676 30.1931 -13.639 32.8824 25.4748 TIMING: 3508200 CPU: 11152.1, 0.00313416/step Wall: 11152.1, 0.00313416/step, 1.29876 hours remaining, 240.164062 MB of memory in use. ENERGY: 3508200 3946.7210 20414.4492 14469.7641 257.9253 -203499.1871 2420.3971 0.0000 0.0000 52184.3549 -109805.5756 299.9042 -161989.9304 -109436.6918 299.1997 39.6581 72.8494 759538.0554 4.4838 4.5963 LDB: ============= START OF LOAD BALANCING ============== 11164.6 LDB: ============== END OF LOAD BALANCING =============== 11164.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11164.6 LDB: ============= START OF LOAD BALANCING ============== 11164.9 LDB: Largest compute 7038 load 0.034186 is 17.5% of average load 0.195337 LDB: Average compute 0.004392 is 2.2% of average load 0.195337 LDB: TIME 11164.9 LOAD: AVG 0.195337 MAX 0.215975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 11164.9 LOAD: AVG 0.195337 MAX 0.215975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: TIME 11164.9 LOAD: AVG 0.195337 MAX 0.215975 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: ============== END OF LOAD BALANCING =============== 11164.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11164.9 PRESSURE: 3508400 239.178 47.0532 4.74478 47.0545 69.2295 -180.254 4.74558 -180.254 272.784 GPRESSURE: 3508400 316.559 37.696 -76.0319 -9.90089 93.1725 -257.741 -59.8126 -61.09 265.929 PRESSAVG: 3508400 37.6232 51.8513 -27.8689 51.8513 -15.8317 46.5349 -27.8689 46.5348 2.36561 GPRESSAVG: 3508400 37.5872 52.3092 -26.0558 51.9121 -15.2998 47.4925 -28.5461 44.8143 1.3778 TIMING: 3508400 CPU: 11152.8, 0.0032026/step Wall: 11152.8, 0.0032026/step, 1.32695 hours remaining, 239.527344 MB of memory in use. ENERGY: 3508400 4013.8642 20418.4265 14442.9624 242.4477 -203553.9582 2668.9999 0.0000 0.0000 52058.9075 -109708.3501 299.1833 -161767.2575 -109339.1701 299.1755 193.7307 225.2203 760136.6150 8.0524 7.8884 PRESSURE: 3508600 -171.807 15.8919 -9.50156 15.8924 -264.999 -144.504 -9.50134 -144.505 242.237 GPRESSURE: 3508600 -120.895 -39.4368 -10.111 -66.7944 -267.392 -38.3311 -82.5469 -117.237 275.528 PRESSAVG: 3508600 -18.1821 -5.58238 -28.6933 -5.58239 5.72856 24.004 -28.6933 24.004 9.36753 GPRESSAVG: 3508600 -18.1542 -6.6548 -29.7127 -6.44862 5.24917 25.1792 -27.4885 23.5018 9.99027 TIMING: 3508600 CPU: 11153.4, 0.00317435/step Wall: 11153.4, 0.00317435/step, 1.31506 hours remaining, 239.527344 MB of memory in use. ENERGY: 3508600 3941.2029 20463.9220 14505.6595 247.5886 -203502.6637 2423.6648 0.0000 0.0000 51997.9043 -109922.7216 298.8327 -161920.6259 -109562.8919 299.0924 -64.8562 -37.5865 761290.5014 -1.0287 -0.9716 PRESSURE: 3508800 -217.664 -66.9552 -103.445 -66.9549 -194.464 330.096 -103.445 330.096 -380.143 GPRESSURE: 3508800 -190.674 -53.7197 -44.7856 -11.407 -183.719 301.266 -156.006 287.728 -318.59 PRESSAVG: 3508800 -45.0431 -38.68 -45.6357 -38.68 32.3333 17.6898 -45.6357 17.6898 1.34256 GPRESSAVG: 3508800 -44.5225 -37.9574 -45.3489 -39.0591 32.2916 17.4275 -47.3834 19.5339 0.841924 TIMING: 3508800 CPU: 11154, 0.00315528/step Wall: 11154, 0.00315528/step, 1.30699 hours remaining, 239.527344 MB of memory in use. ENERGY: 3508800 3971.0917 20464.1825 14453.6982 246.5442 -203456.1295 2197.9190 0.0000 0.0000 52171.2744 -109951.4195 299.8290 -162122.6940 -109591.5513 299.1979 -264.0902 -230.9941 760102.4339 -3.7891 -3.7963 PRESSURE: 3509000 -208.474 9.48763 -31.2622 9.4877 -246.936 21.1775 -31.2618 21.1783 -110.169 GPRESSURE: 3509000 -163.931 72.0643 15.746 52.8847 -218.781 23.1921 -4.78638 -94.3526 -97.7059 PRESSAVG: 3509000 16.8863 -19.1367 -22.7257 -19.1367 -12.0444 -14.5618 -22.7257 -14.5618 2.15315 GPRESSAVG: 3509000 16.9011 -18.9085 -23.8075 -19.8616 -12.6414 -15.3084 -21.9839 -13.9708 2.27141 TIMING: 3509000 CPU: 11154.6, 0.00315431/step Wall: 11154.6, 0.00315431/step, 1.30641 hours remaining, 239.527344 MB of memory in use. ENERGY: 3509000 3994.1140 20609.0803 14507.5726 254.5006 -203461.8838 2207.6159 0.0000 0.0000 52204.3553 -109684.6450 300.0191 -161889.0003 -109326.1116 299.2431 -188.5261 -160.1391 759533.3480 2.3317 2.1771 PRESSURE: 3509200 170.604 69.9128 -92.9591 69.913 -114.544 124.116 -92.9595 124.116 21.3699 GPRESSURE: 3509200 163.798 71.0055 -150.738 4.09449 -58.8832 142.567 -147.268 62.3947 56.1528 PRESSAVG: 3509200 4.13306 -32.5331 2.04783 -32.533 -21.6808 -30.9517 2.04781 -30.9516 -22.1184 GPRESSAVG: 3509200 2.95824 -31.276 2.52492 -33.6335 -21.5449 -28.6843 3.52323 -33.955 -21.6947 TIMING: 3509200 CPU: 11155.3, 0.00315397/step Wall: 11155.3, 0.00315397/step, 1.3061 hours remaining, 239.527344 MB of memory in use. ENERGY: 3509200 3949.5064 20539.3126 14434.0386 258.6784 -203798.3265 2675.2361 0.0000 0.0000 52073.1172 -109868.4371 299.2649 -161941.5543 -109506.7605 299.4398 25.8098 53.6894 760038.5925 -13.2220 -13.4271 PRESSURE: 3509400 -17.3888 -141.007 182.046 -141.007 122.314 -160.578 182.046 -160.578 616.17 GPRESSURE: 3509400 0.256415 -136.005 170.142 -163.152 250.78 -163.732 111.593 69.142 562.157 PRESSAVG: 3509400 16.165 -81.9061 4.11594 -81.906 -28.6755 -51.864 4.11593 -51.864 -10.0964 GPRESSAVG: 3509400 16.7303 -80.8101 2.13753 -81.5449 -29.2455 -52.4306 4.07714 -49.9193 -10.5858 TIMING: 3509400 CPU: 11155.9, 0.00312069/step Wall: 11155.9, 0.00312069/step, 1.29214 hours remaining, 239.527344 MB of memory in use. ENERGY: 3509400 3982.5245 20514.9327 14504.0863 251.5399 -203652.2234 2494.4580 0.0000 0.0000 52084.5532 -109820.1287 299.3306 -161904.6819 -109456.1187 298.7760 240.3653 271.0645 758959.4605 -7.5356 -7.7003 PRESSURE: 3509600 140.814 -147.109 -125.473 -147.108 63.6539 158.364 -125.473 158.364 -22.6561 GPRESSURE: 3509600 129.222 -30.2314 -115.058 -80.6448 130.046 123.559 -160.403 279.826 10.0305 PRESSAVG: 3509600 -32.4019 -44.1139 17.3206 -44.1139 27.0486 -1.34661 17.3206 -1.34661 4.97158 GPRESSAVG: 3509600 -32.1952 -47.7689 18.3673 -42.8727 27.0035 -2.10639 19.1409 -1.55803 4.56931 TIMING: 3509600 CPU: 11156.5, 0.0031457/step Wall: 11156.5, 0.0031457/step, 1.30232 hours remaining, 239.527344 MB of memory in use. ENERGY: 3509600 3942.6647 20482.0499 14355.3435 256.1787 -203641.0166 2731.4461 0.0000 0.0000 51923.8912 -109949.4425 298.4073 -161873.3336 -109609.6758 299.5458 60.6038 89.7662 758085.0354 -0.1273 -0.2075 PRESSURE: 3509800 200.387 -279.475 -75.6709 -279.474 9.80585 105.64 -75.6703 105.64 -173.269 GPRESSURE: 3509800 239.943 -274.558 -48.9755 -77.4579 -36.861 184.614 -17.7753 -13.0336 -89.05 PRESSAVG: 3509800 -7.14309 -19.1713 31.974 -19.1713 -11.825 31.8836 31.974 31.8836 -0.574483 GPRESSAVG: 3509800 -8.86784 -17.8841 31.8876 -15.9445 -11.3625 31.5428 31.2717 33.5464 1.36349 TIMING: 3509800 CPU: 11157.2, 0.00314996/step Wall: 11157.2, 0.00314996/step, 1.30391 hours remaining, 239.527344 MB of memory in use. ENERGY: 3509800 3974.4162 20377.8501 14358.0366 243.6165 -203545.1056 2413.6992 0.0000 0.0000 51982.6517 -110194.8353 298.7450 -162177.4871 -109822.9087 297.9873 12.3080 38.0107 758602.5475 -6.5142 -6.2890 PRESSURE: 3510000 -293.381 -80.0201 83.1995 -80.02 -64.2836 347.217 83.1996 347.218 -260.467 GPRESSURE: 3510000 -315.486 -83.5668 120.575 -59.156 38.4516 261.912 -22.5597 264.584 -267.528 PRESSAVG: 3510000 -8.84675 -81.9869 28.4432 -81.9869 -3.9881 25.2476 28.4432 25.2477 2.94411 GPRESSAVG: 3510000 -7.56379 -79.8567 28.3957 -87.1017 -3.34225 25.1537 29.3393 22.1077 0.762732 TIMING: 3510000 CPU: 11157.8, 0.00315005/step Wall: 11157.8, 0.00315005/step, 1.30377 hours remaining, 239.527344 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: 3510000 4051.5605 20560.9789 14430.4178 256.4299 -203505.1920 2426.4700 0.0000 0.0000 51774.5121 -110004.8228 297.5488 -161779.3350 -109641.3064 297.9103 -206.0439 -181.5209 759790.8545 -3.2969 -3.3811 PRESSURE: 3510200 28.8548 -173.029 28.738 -173.029 174.471 95.9581 28.7376 95.9574 120.856 GPRESSURE: 3510200 128.446 -111.662 -48.9189 -234.791 203.425 55.2431 94.7981 103.15 90.1525 PRESSAVG: 3510200 4.96177 -97.1128 -0.80375 -97.1129 -37.8601 8.43307 -0.803744 8.43299 0.113155 GPRESSAVG: 3510200 4.92901 -98.4222 -0.292688 -94.7722 -38.244 8.14979 -2.96655 8.79096 0.867637 TIMING: 3510200 CPU: 11158.4, 0.00313632/step Wall: 11158.4, 0.00313632/step, 1.29791 hours remaining, 239.527344 MB of memory in use. ENERGY: 3510200 3846.5803 20574.6167 14494.1227 244.2675 -203429.6412 2437.4108 0.0000 0.0000 51839.9830 -109992.6602 297.9251 -161832.6432 -109626.8016 298.4019 108.0608 140.6744 759949.8776 -10.9284 -10.8158 PRESSURE: 3510400 151.715 -108.214 -85.5818 -108.215 193.105 89.9035 -85.5812 89.9025 -76.376 GPRESSURE: 3510400 231.048 -90.4827 -100.91 -114.603 212.464 28.4955 1.29149 44.7397 -92.4075 PRESSAVG: 3510400 12.6201 -33.0691 2.8862 -33.0691 -33.8143 -7.09977 2.88611 -7.09973 1.82786 GPRESSAVG: 3510400 13.7286 -31.3408 1.97535 -35.7689 -34.3365 -7.14411 4.30345 -6.20699 1.3147 TIMING: 3510400 CPU: 11159, 0.00314298/step Wall: 11159, 0.00314298/step, 1.3005 hours remaining, 239.527344 MB of memory in use. ENERGY: 3510400 3972.8003 20506.4716 14359.5994 244.4811 -203897.4972 2683.7719 0.0000 0.0000 51967.4846 -110162.8884 298.6578 -162130.3730 -109800.3611 298.2282 89.4815 117.0347 761414.9330 -6.4554 -6.4310 PRESSURE: 3510600 -190.43 -13.3202 -286.671 -13.3202 -80.029 184.432 -286.672 184.432 227.581 GPRESSURE: 3510600 -162.668 -57.6348 -338.078 -83.6575 -6.57097 136.375 -270.827 177.941 212.758 PRESSAVG: 3510600 28.9108 -2.23519 25.5394 -2.23522 -5.867 35.0053 25.5394 35.0053 -7.81145 GPRESSAVG: 3510600 28.2716 -4.92546 26.0205 -1.56565 -4.99637 34.862 24.7419 36.2734 -7.99732 TIMING: 3510600 CPU: 11159.7, 0.00312752/step Wall: 11159.7, 0.00312752/step, 1.29393 hours remaining, 239.527344 MB of memory in use. ENERGY: 3510600 3955.0526 20397.7775 14345.8238 247.0745 -203515.0292 2475.6265 0.0000 0.0000 51769.1704 -110324.5039 297.5181 -162093.6744 -109963.2861 297.9022 -14.2926 14.5062 760743.6524 5.0775 5.0926 PRESSURE: 3510800 -316.362 -201.373 -130.331 -201.373 -215.104 -176.347 -130.331 -176.348 -349.582 GPRESSURE: 3510800 -185.089 -148.797 -83.6531 -253.176 -247.825 -140.381 -142.851 -312.462 -343.24 PRESSAVG: 3510800 -11.3272 -7.58587 32.751 -7.58587 20.3667 -1.07256 32.751 -1.07259 -15.3382 GPRESSAVG: 3510800 -12.2321 -6.60268 32.368 -8.09004 18.7467 0.0158352 33.7347 -2.21278 -13.1216 TIMING: 3510800 CPU: 11160.3, 0.00310868/step Wall: 11160.3, 0.00310868/step, 1.28596 hours remaining, 239.527344 MB of memory in use. ENERGY: 3510800 4001.5496 20245.4710 14450.1270 251.9190 -203077.4472 2056.5989 0.0000 0.0000 51872.7302 -110199.0516 298.1133 -162071.7818 -109834.7834 297.5212 -293.6827 -258.7178 759606.2541 -2.0996 -2.2023 PRESSURE: 3511000 -97.5232 123.361 58.8322 123.361 -20.4279 -2.41917 58.8319 -2.41926 -215.446 GPRESSURE: 3511000 -33.1213 57.4097 15.4189 160.28 5.70383 27.2361 124.446 -183.416 -224.732 PRESSAVG: 3511000 -24.3266 6.53646 23.1901 6.53647 35.8737 -38.9257 23.1901 -38.9257 8.60778 GPRESSAVG: 3511000 -23.4249 5.21274 24.4408 9.77362 37.0155 -39.5813 19.7972 -37.2041 6.32683 TIMING: 3511000 CPU: 11160.9, 0.00313233/step Wall: 11160.9, 0.00313233/step, 1.29557 hours remaining, 239.527344 MB of memory in use. ENERGY: 3511000 4016.6305 20387.0544 14445.9747 241.8403 -203480.0733 2217.5418 0.0000 0.0000 52163.9180 -110007.1135 299.7868 -162171.0315 -109650.1228 298.3901 -111.1323 -84.0499 757692.4794 6.7183 6.6391 PRESSURE: 3511200 -161.283 161.751 59.9449 161.75 -94.1149 31.2881 59.9445 31.2883 -203.217 GPRESSURE: 3511200 -238.339 -58.6988 94.8169 129.385 -16.7909 101.851 -48.7903 17.9303 -135.488 PRESSAVG: 3511200 -7.17003 -25.0685 13.7836 -25.0685 24.5809 21.1993 13.7835 21.1992 3.69648 GPRESSAVG: 3511200 -8.19612 -25.9063 13.8985 -26.8748 25.6284 22.9458 17.4516 17.6461 3.37827 TIMING: 3511200 CPU: 11161.5, 0.00313884/step Wall: 11161.5, 0.00313884/step, 1.29809 hours remaining, 239.527344 MB of memory in use. ENERGY: 3511200 3914.0667 20364.8394 14452.4856 256.3356 -203520.2586 2381.9630 0.0000 0.0000 52074.9131 -110075.6552 299.2752 -162150.5682 -109704.4366 298.5360 -152.8717 -130.2060 759529.1765 7.0358 6.9368 PRESSURE: 3511400 160.038 -60.3772 -30.1473 -60.3777 -126.951 369.557 -30.1478 369.557 -267.458 GPRESSURE: 3511400 184.068 -28.2327 -48.5236 67.9141 -112 389.421 -77.3422 204.207 -226.876 PRESSAVG: 3511400 69.1423 -1.65645 15.2298 -1.65646 -78.6137 -3.93075 15.2298 -3.93078 9.86164 GPRESSAVG: 3511400 69.2182 -1.63181 14.199 -1.18456 -80.2752 -5.2554 11.2918 -0.962983 11.3682 TIMING: 3511400 CPU: 11162.2, 0.0031336/step Wall: 11162.2, 0.0031336/step, 1.29574 hours remaining, 239.527344 MB of memory in use. ENERGY: 3511400 3976.4772 20427.2985 14405.6785 238.0850 -203399.6855 2519.7055 0.0000 0.0000 51970.3663 -109862.0746 298.6744 -161832.4408 -109515.2263 298.3922 -78.1240 -51.6026 759838.8827 0.1301 0.1037 PRESSURE: 3511600 115.464 -101.139 299.67 -101.14 -187.259 96.738 299.669 96.7382 11.2052 GPRESSURE: 3511600 130.423 -33.6181 225.34 -76.0414 -67.8153 54.8056 339.886 71.9347 -2.70802 PRESSAVG: 3511600 31.5673 -54.1061 75.5998 -54.1061 0.856844 50.7097 75.5998 50.7097 -7.94951 GPRESSAVG: 3511600 32.0394 -52.4978 75.0149 -52.362 1.76379 50.9748 78.0734 49.3562 -9.55024 TIMING: 3511600 CPU: 11162.8, 0.0031193/step Wall: 11162.8, 0.0031193/step, 1.28966 hours remaining, 239.527344 MB of memory in use. ENERGY: 3511600 3903.2060 20394.7279 14398.4591 234.8292 -203587.7851 2694.7248 0.0000 0.0000 52081.0887 -109880.7493 299.3107 -161961.8380 -109515.5323 298.5327 -20.1968 19.9667 761281.8163 8.1582 8.0843 PRESSURE: 3511800 120.079 -0.633866 3.07661 -0.634051 58.91 -130.726 3.07732 -130.727 132.884 GPRESSURE: 3511800 147.607 53.9499 94.5507 -57.5909 80.6316 -91.5387 61.6545 -166.279 182.341 PRESSAVG: 3511800 40.8158 13.7053 3.54792 13.7053 -35.4617 11.6608 3.548 11.6609 -31.4676 GPRESSAVG: 3511800 40.7395 13.9245 3.54376 11.1281 -36.2528 12.4643 4.73813 12.9782 -30.5197 TIMING: 3511800 CPU: 11163.4, 0.00312709/step Wall: 11163.4, 0.00312709/step, 1.2927 hours remaining, 239.527344 MB of memory in use. ENERGY: 3511800 3983.4994 20408.8383 14372.4658 244.9254 -203480.2708 2525.7722 0.0000 0.0000 51971.0823 -109973.6875 298.6785 -161944.7697 -109628.4859 298.4963 103.9577 136.8599 759636.1007 -8.7045 -8.6777 PRESSURE: 3512000 -139.403 164.635 -36.8581 164.635 144.842 -24.4357 -36.8589 -24.4359 17.9702 GPRESSURE: 3512000 -37.6988 136.694 15.357 104.2 212.091 -69.411 -100.247 147.947 -59.1624 PRESSAVG: 3512000 1.14023 38.5217 27.6928 38.5217 -6.58888 25.7477 27.6928 25.7477 8.44608 GPRESSAVG: 3512000 -0.412328 36.7265 29.0915 38.3249 -5.42189 26.9049 26.7781 23.5999 8.72827 TIMING: 3512000 CPU: 11164, 0.00312077/step Wall: 11164, 0.00312077/step, 1.28992 hours remaining, 239.527344 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: 3512000 3960.4144 20298.7196 14429.5398 244.7425 -203348.5695 2464.5862 0.0000 0.0000 51853.7486 -110096.8184 298.0042 -161950.5669 -109737.8706 298.1818 7.8029 38.4099 760614.5794 0.9991 0.9647 PRESSURE: 3512200 -280.211 111.883 115.232 111.882 -406.37 186.284 115.231 186.285 -117.563 GPRESSURE: 3512200 -332.682 113.433 203.37 136.677 -289.408 165.833 205.725 190.297 -105.692 PRESSAVG: 3512200 25.1288 37.4817 -1.91779 37.4817 -44.5197 47.5993 -1.91773 47.5993 -1.11185 GPRESSAVG: 3512200 25.1889 39.4826 -2.82837 37.4289 -44.5104 45.4886 -2.78227 49.042 -0.844926 TIMING: 3512200 CPU: 11164.7, 0.00313291/step Wall: 11164.7, 0.00313291/step, 1.29476 hours remaining, 239.527344 MB of memory in use. ENERGY: 3512200 4027.0491 20350.0407 14504.5626 251.4154 -203304.2374 2297.5826 0.0000 0.0000 51762.9838 -110110.6032 297.4826 -161873.5870 -109746.6965 298.0993 -268.0481 -242.5940 761678.7594 -6.8342 -6.7222 LDB: ============= START OF LOAD BALANCING ============== 11177.1 LDB: ============== END OF LOAD BALANCING =============== 11177.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11177.1 LDB: ============= START OF LOAD BALANCING ============== 11177.4 LDB: Largest compute 7064 load 0.033445 is 17.1% of average load 0.195338 LDB: Average compute 0.004384 is 2.2% of average load 0.195338 LDB: TIME 11177.4 LOAD: AVG 0.195338 MAX 0.21532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 11177.4 LOAD: AVG 0.195338 MAX 0.21532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.75 MB LDB: TIME 11177.4 LOAD: AVG 0.195338 MAX 0.21532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.75 MB LDB: ============== END OF LOAD BALANCING =============== 11177.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11177.5 PRESSURE: 3512400 27.9593 81.0422 10.3594 81.0426 236.296 -158.98 10.3598 -158.98 316.148 GPRESSURE: 3512400 18.7543 -77.2754 1.4086 86.9787 252.685 -105.887 -180.605 -135.748 370.379 PRESSAVG: 3512400 -49.5133 -12.8859 51.8867 -12.8859 41.4773 0.830033 51.8867 0.830061 -13.4443 GPRESSAVG: 3512400 -49.0823 -13.028 50.446 -13.3582 40.7032 2.1391 54.8877 0.931256 -13.8277 TIMING: 3512400 CPU: 11165.3, 0.00320284/step Wall: 11165.3, 0.00320284/step, 1.32349 hours remaining, 240.808594 MB of memory in use. ENERGY: 3512400 3960.7134 20418.0554 14471.4069 222.8380 -203995.5862 2748.7741 0.0000 0.0000 51936.1365 -110237.6619 298.4777 -162173.7984 -109886.8602 297.8756 193.4675 213.9393 759473.8086 -7.1601 -7.4023 PRESSURE: 3512600 -157.119 -109.293 -222.067 -109.292 -193.02 155.639 -222.067 155.639 -66.0642 GPRESSURE: 3512600 -130.293 28.483 -176.102 -67.9086 -179.401 157.335 -173.432 263.968 -10.5629 PRESSAVG: 3512600 -45.171 -0.643631 -14.3154 -0.643627 -2.07153 56.0335 -14.3154 56.0334 1.20085 GPRESSAVG: 3512600 -45.5794 -1.70699 -13.6709 2.98888 -2.46501 54.5505 -19.0367 56.4472 2.11933 TIMING: 3512600 CPU: 11165.9, 0.00311895/step Wall: 11165.9, 0.00311895/step, 1.28865 hours remaining, 240.808594 MB of memory in use. ENERGY: 3512600 4054.7095 20471.9339 14408.3501 242.1276 -203513.4026 2368.4151 0.0000 0.0000 51957.1184 -110010.7480 298.5983 -161967.8664 -109652.6150 298.5098 -138.7344 -106.7524 760370.5560 -15.3472 -15.3084 PRESSURE: 3512800 -213.802 -124.652 32.2564 -124.651 -252.133 98.8641 32.2568 98.8643 -452.721 GPRESSURE: 3512800 -238.668 -234.387 53.457 -128.36 -114.279 46.7182 161.632 135.863 -476.447 PRESSAVG: 3512800 9.27656 2.98426 -19.6423 2.98428 13.1204 40.5142 -19.6423 40.5142 -5.70348 GPRESSAVG: 3512800 10.3288 3.04719 -17.2324 0.850213 13.4832 40.1349 -18.4318 39.7357 -6.69293 TIMING: 3512800 CPU: 11166.6, 0.0031301/step Wall: 11166.6, 0.0031301/step, 1.29308 hours remaining, 240.808594 MB of memory in use. ENERGY: 3512800 4023.7824 20479.1130 14419.4666 250.0933 -203321.3267 2348.2171 0.0000 0.0000 51824.0870 -109976.5671 297.8337 -161800.6541 -109612.8230 298.5794 -306.2184 -276.4645 760434.6879 5.5645 5.7064 PRESSURE: 3513000 144.173 35.0801 135.646 35.0814 -345.347 78.7369 135.646 78.7361 249.13 GPRESSURE: 3513000 203.191 101.73 79.9523 17.8916 -312.335 68.6898 150.867 153.405 253.785 PRESSAVG: 3513000 -4.63741 -28.7738 32.1126 -28.7737 4.34224 -5.37632 32.1126 -5.3763 -15.4706 GPRESSAVG: 3513000 -5.58858 -26.6838 30.164 -28.9467 4.45831 -4.6455 31.6271 -5.05137 -14.5729 TIMING: 3513000 CPU: 11167.2, 0.0031384/step Wall: 11167.2, 0.0031384/step, 1.29633 hours remaining, 240.808594 MB of memory in use. ENERGY: 3513000 4045.2075 20385.0612 14437.0767 228.6475 -203428.0476 2487.8917 0.0000 0.0000 51842.5667 -110001.5962 297.9399 -161844.1629 -109641.1255 298.1876 15.9855 48.2137 759743.2209 -5.2552 -5.2344 PRESSURE: 3513200 -462.817 90.9007 115.689 90.9014 12.6068 -3.57596 115.688 -3.57602 -143.939 GPRESSURE: 3513200 -399.86 59.2329 54.432 10.1869 38.9204 -8.50132 142.386 -57.6326 -150.723 PRESSAVG: 3513200 -59.923 4.25673 40.3751 4.2568 7.89785 50.329 40.3752 50.329 -21.1378 GPRESSAVG: 3513200 -57.7184 0.721728 39.7806 3.78866 7.6264 49.1517 43.5206 51.2318 -22.8615 TIMING: 3513200 CPU: 11167.8, 0.00314802/step Wall: 11167.8, 0.00314802/step, 1.30013 hours remaining, 240.808594 MB of memory in use. ENERGY: 3513200 3983.8945 20636.7781 14369.9211 262.1552 -203443.7303 2462.4441 0.0000 0.0000 51930.3703 -109798.1670 298.4446 -161728.5372 -109438.1631 298.7316 -198.0499 -170.5540 760386.5540 -24.3877 -24.3179 PRESSURE: 3513400 356.026 117.245 139.715 117.245 11.4981 -95.247 139.715 -95.2471 114.531 GPRESSURE: 3513400 332.955 195.384 131.456 270.774 99.8213 -90.5822 -50.7179 -85.966 130.459 PRESSAVG: 3513400 12.7406 70.1675 -41.2177 70.1674 -18.8833 5.14416 -41.2176 5.14413 33.5833 GPRESSAVG: 3513400 12.738 70.8156 -39.4252 71.0762 -20.0193 5.46312 -44.7149 2.84166 34.4223 TIMING: 3513400 CPU: 11168.5, 0.00313962/step Wall: 11168.5, 0.00313962/step, 1.29649 hours remaining, 240.808594 MB of memory in use. ENERGY: 3513400 3989.7733 20544.2562 14384.4592 240.8211 -203512.6362 2423.8145 0.0000 0.0000 51967.1952 -109962.3167 298.6562 -161929.5120 -109599.0554 298.6507 160.6850 187.7449 759103.2639 9.1469 9.0470 PRESSURE: 3513600 44.9427 121.344 58.2327 121.343 -156.981 -205.631 58.2335 -205.632 143.094 GPRESSURE: 3513600 78.4751 166.725 78.3858 44.9189 -46.194 -183.936 -23.3257 -50.6844 83.7269 PRESSAVG: 3513600 10.2154 71.5118 -45.4734 71.5117 -27.2523 -23.363 -45.4734 -23.3629 -1.78312 GPRESSAVG: 3513600 9.63846 71.3928 -46.1116 71.9728 -26.5013 -22.2404 -44.9176 -22.0104 -1.83841 TIMING: 3513600 CPU: 11169.1, 0.00315538/step Wall: 11169.1, 0.00315538/step, 1.30282 hours remaining, 240.808594 MB of memory in use. ENERGY: 3513600 3973.7439 20486.1757 14398.8803 247.6224 -203564.7945 2598.3332 0.0000 0.0000 51945.9407 -109914.0982 298.5340 -161860.0390 -109546.7985 298.7907 10.3518 38.6693 759769.3472 -6.2733 -6.2337 PRESSURE: 3513800 181.065 95.408 -156.379 95.4079 -198.409 -135.722 -156.379 -135.722 -26.204 GPRESSURE: 3513800 195.347 14.1416 -95.4172 -7.8037 -180.416 -58.6434 -51.3012 -96.5846 43.2703 PRESSAVG: 3513800 33.2568 -8.70764 11.155 -8.70753 -42.181 8.24517 11.1549 8.24518 -6.03694 GPRESSAVG: 3513800 31.9417 -8.41146 12.0084 -7.45679 -41.8738 7.9655 9.59231 7.74278 -5.54012 TIMING: 3513800 CPU: 11169.7, 0.0031218/step Wall: 11169.7, 0.0031218/step, 1.28878 hours remaining, 240.808594 MB of memory in use. ENERGY: 3513800 3992.3217 20483.0619 14435.4073 241.6609 -203006.3548 2245.4744 0.0000 0.0000 51828.7665 -109779.6622 297.8606 -161608.4287 -109412.5967 298.6657 -14.5162 19.4007 762024.8373 -4.9870 -5.1574 PRESSURE: 3514000 53.9318 237.015 -9.24983 237.015 -111.69 6.75511 -9.25033 6.75504 162.925 GPRESSURE: 3514000 62.1115 142.415 6.96446 108.666 -28.2287 5.06708 162.357 -5.30663 172.014 PRESSAVG: 3514000 -20.3483 -7.26306 -27.1742 -7.26305 18.6813 17.9902 -27.1742 17.9902 -16.3608 GPRESSAVG: 3514000 -18.6094 -9.05712 -28.0169 -6.06597 17.1126 17.1805 -26.1515 19.1725 -15.9815 TIMING: 3514000 CPU: 11170.3, 0.00314284/step Wall: 11170.3, 0.00314284/step, 1.29729 hours remaining, 240.808594 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: 3514000 4012.8506 20384.2142 14414.6563 250.7199 -203691.6727 2464.6714 0.0000 0.0000 52082.8029 -110081.7574 299.3206 -162164.5602 -109725.2217 298.6891 35.0554 68.6322 759697.8880 -6.0092 -5.8261 PRESSURE: 3514200 -194.971 39.8978 -33.7407 39.8987 -229.973 -52.0966 -33.7412 -52.0965 99.6164 GPRESSURE: 3514200 -120.611 135.474 -147.493 6.69725 -200.363 -97.4789 -85.1355 -54.2774 114.329 PRESSAVG: 3514200 58.306 7.51523 -5.4735 7.51523 -24.4689 -24.2559 -5.47346 -24.2559 22.7596 GPRESSAVG: 3514200 56.3651 12.1547 -7.26877 3.35944 -23.4916 -24.4833 -3.22806 -26.015 23.1092 TIMING: 3514200 CPU: 11171, 0.00315404/step Wall: 11171, 0.00315404/step, 1.30174 hours remaining, 240.808594 MB of memory in use. ENERGY: 3514200 3989.7371 20551.9126 14411.7821 225.0415 -203259.3622 2329.8423 0.0000 0.0000 51763.7426 -109987.3040 297.4869 -161751.0466 -109633.5858 298.5494 -108.4424 -68.8816 758657.7037 18.8655 18.6609 PRESSURE: 3514400 -23.2034 152.779 -60.0391 152.779 -82.7535 102.028 -60.0387 102.028 -187.837 GPRESSURE: 3514400 10.8661 34.2933 23.3111 200.696 6.3389 149.13 -105.614 200.683 -215.705 PRESSAVG: 3514400 3.2311 -25.2202 -12.6449 -25.2202 -14.5315 -18.1143 -12.6449 -18.1143 20.0576 GPRESSAVG: 3514400 4.24695 -28.6895 -10.9266 -23.3941 -15.5473 -16.2043 -12.6119 -18.1119 20.3008 TIMING: 3514400 CPU: 11171.6, 0.00313907/step Wall: 11171.6, 0.00313907/step, 1.29539 hours remaining, 240.808594 MB of memory in use. ENERGY: 3514400 3967.5359 20422.2331 14471.2944 256.7061 -203447.9464 2494.9446 0.0000 0.0000 51889.0917 -109946.1407 298.2073 -161835.2324 -109592.5759 298.5231 -97.9312 -66.1666 759526.2358 2.9191 3.0001 PRESSURE: 3514600 377.08 -141.68 -24.7231 -141.68 14.9822 -163.81 -24.7223 -163.81 278.237 GPRESSURE: 3514600 393.547 -182.96 -37.9197 -136.094 44.3926 -165.778 -72.5133 -50.7035 286.924 PRESSAVG: 3514600 17.5144 -3.10395 -45.8864 -3.10395 0.0142782 -83.9413 -45.8863 -83.9412 0.422833 GPRESSAVG: 3514600 18.5503 -3.37884 -46.7007 -3.51579 -0.373758 -83.896 -46.8743 -84.0985 -0.137026 TIMING: 3514600 CPU: 11172.2, 0.003149/step Wall: 11172.2, 0.003149/step, 1.29931 hours remaining, 240.808594 MB of memory in use. ENERGY: 3514600 4014.8372 20581.2487 14430.6484 249.3632 -204031.4966 2842.4815 0.0000 0.0000 51947.7049 -109965.2127 298.5442 -161912.9176 -109601.4090 298.0981 223.4330 241.6213 759125.4736 5.9838 6.0132 PRESSURE: 3514800 452.536 133.103 43.8429 133.102 176.864 182.185 43.8436 182.183 150.079 GPRESSURE: 3514800 431.412 151.321 108.776 52.3692 211.13 125.66 -45.4717 50.5946 215.841 PRESSAVG: 3514800 19.7191 -36.3292 23.3274 -36.3292 -25.5944 -1.81785 23.3274 -1.81777 -3.45188 GPRESSAVG: 3514800 18.8637 -37.0163 23.8086 -33.8853 -25.4875 -3.29408 21.7927 -1.39301 -2.74516 TIMING: 3514800 CPU: 11172.9, 0.00317145/step Wall: 11172.9, 0.00317145/step, 1.3084 hours remaining, 240.808594 MB of memory in use. ENERGY: 3514800 3990.1184 20501.3076 14443.2398 266.3940 -203579.9789 2654.3847 0.0000 0.0000 51750.9257 -109973.6086 297.4133 -161724.5343 -109621.2841 298.4346 259.8265 286.1274 759376.6642 -3.1091 -3.1230 PRESSURE: 3515000 -141.588 -38.5318 67.4937 -38.5318 -328.493 116.737 67.4925 116.737 262.123 GPRESSURE: 3515000 -32.4396 16.6787 103.408 -52.0321 -256.317 156.708 72.9181 -4.23266 185.3 PRESSAVG: 3515000 -9.89682 -29.7215 29.5522 -29.7216 24.5147 -26.0567 29.5521 -26.0566 -4.64171 GPRESSAVG: 3515000 -10.2581 -27.623 29.8348 -32.843 25.272 -24.582 30.0837 -25.2036 -5.08484 TIMING: 3515000 CPU: 11173.5, 0.00315147/step Wall: 11173.5, 0.00315147/step, 1.29998 hours remaining, 240.808594 MB of memory in use. ENERGY: 3515000 4031.1505 20298.4206 14439.1630 266.0180 -203879.6403 2631.8926 0.0000 0.0000 52115.1172 -110097.8784 299.5063 -162212.9956 -109742.3750 298.5764 -69.3194 -34.4856 760711.8400 3.3254 3.3097 PRESSURE: 3515200 144.294 86.0544 47.9564 86.0548 119.053 -15.5807 47.9564 -15.5809 515.862 GPRESSURE: 3515200 197.09 67.7231 53.5616 119.376 168.74 -65.0484 -8.98422 -33.6414 488.585 PRESSAVG: 3515200 -9.4696 14.0415 -22.1859 14.0415 21.967 -17.0103 -22.1859 -17.0103 -3.62596 GPRESSAVG: 3515200 -9.87871 12.3579 -21.9164 16.2894 22.0499 -16.7269 -20.2304 -19.4046 -2.67512 TIMING: 3515200 CPU: 11174.1, 0.00314089/step Wall: 11174.1, 0.00314089/step, 1.29544 hours remaining, 240.808594 MB of memory in use. ENERGY: 3515200 3958.6690 20376.3981 14518.4966 262.3362 -204060.3771 2777.8669 0.0000 0.0000 51908.4107 -110258.1996 298.3183 -162166.6102 -109883.5456 298.1774 259.7366 284.8049 759499.4499 2.9571 3.1654 PRESSURE: 3515400 264.522 45.9092 164.429 45.9101 186.694 -56.0411 164.429 -56.0426 129.805 GPRESSURE: 3515400 252.322 -17.8633 23.9981 9.22842 227.366 -55.1007 92.079 -93.3329 170.125 PRESSAVG: 3515400 2.06768 30.065 -7.22821 30.065 -5.0117 -24.1988 -7.2282 -24.1987 -11.417 GPRESSAVG: 3515400 3.18242 31.632 -8.4752 30.0936 -4.3733 -25.9923 -6.7934 -23.1537 -13.0181 TIMING: 3515400 CPU: 11174.7, 0.0031224/step Wall: 11174.7, 0.0031224/step, 1.28764 hours remaining, 240.808594 MB of memory in use. ENERGY: 3515400 4001.3418 20471.5562 14494.5087 246.6214 -204152.9408 3063.9848 0.0000 0.0000 51556.7098 -110318.2181 296.2971 -161874.9280 -109963.4259 297.7357 193.6738 216.6045 760155.6486 -4.7870 -4.7363 PRESSURE: 3515600 39.4264 21.1069 -41.9757 21.1064 134.243 -142.191 -41.9761 -142.191 219.815 GPRESSURE: 3515600 96.213 78.6145 -1.92664 -3.37706 149.812 -125.003 -36.4068 -56.9685 237.272 PRESSAVG: 3515600 51.3673 -23.1682 -3.06512 -23.1681 -34.5643 -12.4473 -3.06517 -12.4473 9.85065 GPRESSAVG: 3515600 50.7288 -21.3115 -2.92088 -24.8621 -35.3016 -12.2212 -3.21622 -11.8353 11.7082 TIMING: 3515600 CPU: 11175.4, 0.00312603/step Wall: 11175.4, 0.00312603/step, 1.28897 hours remaining, 240.808594 MB of memory in use. ENERGY: 3515600 3899.4995 20421.2165 14400.8174 232.5457 -204227.0266 3081.8561 0.0000 0.0000 51851.5879 -110339.5035 297.9918 -162191.0915 -109970.6909 297.6959 131.1615 161.0992 759574.9444 8.8845 9.0451 PRESSURE: 3515800 123.542 112.539 -61.8954 112.54 397.342 -91.8819 -61.8963 -91.8823 345.29 GPRESSURE: 3515800 205.801 212.706 -42.0339 120.337 396.506 -94.667 12.9143 -8.35827 338.035 PRESSAVG: 3515800 -9.25788 33.4963 -34.7051 33.4963 20.1404 15.5637 -34.705 15.5637 -6.12137 GPRESSAVG: 3515800 -9.01111 30.7047 -34.4358 34.7661 21.0892 15.7814 -34.7966 16.8846 -7.67536 TIMING: 3515800 CPU: 11176, 0.00313071/step Wall: 11176, 0.00313071/step, 1.29072 hours remaining, 240.808594 MB of memory in use. ENERGY: 3515800 3891.3837 20492.1253 14411.7859 250.3256 -203834.6767 2696.4568 0.0000 0.0000 51813.3237 -110279.2757 297.7719 -162092.5994 -109916.5114 297.5126 288.7247 313.4475 759367.3950 1.5871 1.4676 PRESSURE: 3516000 405.124 -329.658 29.5012 -329.658 -74.0665 161.06 29.5008 161.062 76.2724 GPRESSURE: 3516000 475.658 -378.19 62.0283 -259.892 -69.8813 161.848 -22.0362 88.3148 98.0312 PRESSAVG: 3516000 30.2829 7.67538 50.2263 7.67543 -32.7768 0.822506 50.2264 0.822492 9.89731 GPRESSAVG: 3516000 30.3712 6.62135 50.8763 6.15192 -33.4545 1.24629 48.7465 -1.82504 9.63871 TIMING: 3516000 CPU: 11176.6, 0.00313134/step Wall: 11176.6, 0.00313134/step, 1.29081 hours remaining, 240.808594 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: 3516000 3946.8141 20530.5134 14413.3230 231.5158 -203997.2931 2856.2450 0.0000 0.0000 51667.7619 -110351.1199 296.9353 -162018.8818 -109999.1019 297.7218 135.7768 167.9360 759579.0394 2.4678 2.1852 PRESSURE: 3516200 -331.339 11.6014 -110.826 11.601 -153.927 -7.96358 -110.826 -7.96415 -110.264 GPRESSURE: 3516200 -310.433 97.6933 2.8237 3.82521 -14.1642 62.471 -136.811 -28.1994 -169.817 PRESSAVG: 3516200 -25.2899 21.9993 -14.6731 21.9992 19.5226 41.8288 -14.6731 41.8289 4.50414 GPRESSAVG: 3516200 -25.8094 22.9647 -13.1885 21.3862 19.7682 41.5351 -14.0167 44.2645 4.47599 TIMING: 3516200 CPU: 11177.2, 0.00314432/step Wall: 11177.2, 0.00314432/step, 1.29599 hours remaining, 240.808594 MB of memory in use. ENERGY: 3516200 3974.3662 20243.1113 14401.6744 257.9884 -203705.2453 2558.0970 0.0000 0.0000 51999.2883 -110270.7195 298.8406 -162270.0079 -109907.3000 297.6044 -198.5101 -164.8047 761430.8231 -0.4211 -0.5217 LDB: ============= START OF LOAD BALANCING ============== 11189.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11189.7 LDB: =============== DONE WITH MIGRATION ================ 11189.7 LDB: ============= START OF LOAD BALANCING ============== 11190 LDB: Largest compute 7048 load 0.035238 is 18.0% of average load 0.195375 LDB: Average compute 0.004404 is 2.3% of average load 0.195375 LDB: TIME 11190 LOAD: AVG 0.195375 MAX 0.214438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 11190 LOAD: AVG 0.195375 MAX 0.214438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 11190 LOAD: AVG 0.195375 MAX 0.214438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 11190 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11190 PRESSURE: 3516400 325.61 23.544 54.7558 23.5437 205.707 -53.9897 54.756 -53.9899 27.2747 GPRESSURE: 3516400 271.605 183.444 55.6103 49.4433 239.016 -41.2417 -58.6024 12.0625 111.08 PRESSAVG: 3516400 26.028 56.7631 -9.35208 56.7631 -23.9325 5.15727 -9.3521 5.1573 1.5109 GPRESSAVG: 3516400 24.3037 56.3921 -11.2784 57.7778 -23.0137 4.87858 -11.4249 4.61119 2.97166 TIMING: 3516400 CPU: 11177.9, 0.00322567/step Wall: 11177.9, 0.00322567/step, 1.32934 hours remaining, 241.117188 MB of memory in use. ENERGY: 3516400 4007.4457 20492.4700 14362.4041 238.8754 -204089.7615 2905.7632 0.0000 0.0000 51974.9450 -110107.8580 298.7007 -162082.8030 -109754.7600 297.9070 186.1975 207.2337 759679.0579 1.2021 1.4206 PRESSURE: 3516600 211.016 98.2706 13.63 98.2716 243.47 185.938 13.6307 185.938 198.814 GPRESSURE: 3516600 213.895 31.9251 -84.4633 124.991 256.53 176.783 69.0482 100.765 234.618 PRESSAVG: 3516600 3.23867 53.4245 26.6796 53.4245 -20.115 -20.631 26.6797 -20.631 5.44792 GPRESSAVG: 3516600 4.75696 53.651 27.7631 53.3305 -21.0237 -21.7755 28.1355 -23.1698 4.33659 TIMING: 3516600 CPU: 11178.5, 0.00317556/step Wall: 11178.5, 0.00317556/step, 1.30851 hours remaining, 241.320312 MB of memory in use. ENERGY: 3516600 3955.5494 20590.7182 14380.2233 258.8007 -203905.6554 2650.4719 0.0000 0.0000 52066.7792 -110003.1128 299.2285 -162069.8920 -109645.8110 298.2949 217.7668 235.0143 760079.7847 -3.8095 -3.9767 PRESSURE: 3516800 187.96 -130.081 -49.8759 -130.082 478.03 54.0249 -49.8767 54.0256 182.998 GPRESSURE: 3516800 269.208 -84.7904 -113.333 -181.51 560.257 115.14 -24.5029 13.9664 111.911 PRESSAVG: 3516800 29.7115 25.5689 -28.5444 25.569 -0.383959 15.4857 -28.5444 15.4857 -7.54387 GPRESSAVG: 3516800 30.1984 25.377 -29.6464 24.547 -1.45683 17.6001 -28.1425 17.0279 -7.08282 TIMING: 3516800 CPU: 11179.2, 0.00313714/step Wall: 11179.2, 0.00313714/step, 1.2925 hours remaining, 241.320312 MB of memory in use. ENERGY: 3516800 3946.2105 20545.0919 14312.5918 253.2686 -203712.6778 2617.2131 0.0000 0.0000 51940.5341 -110097.7678 298.5030 -162038.3018 -109735.8038 298.3736 282.9959 313.7921 760042.6759 7.2612 7.2196 PRESSURE: 3517000 -56.387 13.7052 -94.0625 13.7056 -171.984 147.698 -94.0625 147.698 -368.317 GPRESSURE: 3517000 -92.5239 10.7883 -84.4764 43.7384 -59.0566 182.252 18.7915 48.4038 -326.483 PRESSAVG: 3517000 -5.63883 2.4811 -19.7426 2.48112 7.09919 9.82822 -19.7426 9.82827 13.4609 GPRESSAVG: 3517000 -6.3251 3.73091 -19.707 3.99773 7.07759 7.32574 -18.3499 10.46 14.5427 TIMING: 3517000 CPU: 11179.8, 0.00314952/step Wall: 11179.8, 0.00314952/step, 1.29743 hours remaining, 241.320312 MB of memory in use. ENERGY: 3517000 3994.4544 20499.7450 14372.1222 273.5037 -203634.1008 2471.6563 0.0000 0.0000 51882.6010 -110140.0182 298.1700 -162022.6192 -109779.5023 298.0398 -198.8960 -159.3546 760172.5385 4.9737 5.0984 PRESSURE: 3517200 102.218 36.5036 165.656 36.5041 13.986 -2.53756 165.656 -2.5372 -433.682 GPRESSURE: 3517200 85.5758 130.683 62.084 -104.548 67.5325 105.567 126.225 -62.131 -379.325 PRESSAVG: 3517200 28.6549 13.6376 -6.27565 13.6376 -8.8554 42.5872 -6.27563 42.5873 9.35763 GPRESSAVG: 3517200 28.471 13.6957 -6.49723 13.5663 -8.34358 44.7738 -7.53695 42.2962 9.56206 TIMING: 3517200 CPU: 11180.4, 0.00315408/step Wall: 11180.4, 0.00315408/step, 1.29913 hours remaining, 241.320312 MB of memory in use. ENERGY: 3517200 3976.1551 20456.0099 14393.2204 260.5360 -203645.9467 2604.9115 0.0000 0.0000 51950.0112 -110005.1025 298.5574 -161955.1138 -109640.9625 298.2990 -105.8262 -75.4057 759668.8299 9.7191 9.8965 PRESSURE: 3517400 -53.3816 -129.559 -169.864 -129.56 95.5327 -97.5045 -169.864 -97.505 710.97 GPRESSURE: 3517400 124.791 -197.441 -164.3 -49.4784 44.5992 -60.2225 -4.70209 -194.22 654.238 PRESSAVG: 3517400 6.72939 -5.41883 43.9439 -5.41877 -22.8708 44.4367 43.9439 44.4366 11.2482 GPRESSAVG: 3517400 8.04564 -6.21001 44.4401 -4.18092 -22.1611 44.5033 44.2618 43.6136 9.149 TIMING: 3517400 CPU: 11181, 0.00315524/step Wall: 11181, 0.00315524/step, 1.29943 hours remaining, 241.320312 MB of memory in use. ENERGY: 3517400 3904.7009 20515.9029 14398.5252 244.6505 -203319.3218 2306.2087 0.0000 0.0000 51990.7271 -109958.6065 298.7914 -161949.3336 -109591.9468 298.0515 251.0403 274.5429 759885.9725 -1.6311 -1.6555 PRESSURE: 3517600 135.142 -62.1903 273.798 -62.1907 111.721 -287.28 273.798 -287.281 462.169 GPRESSURE: 3517600 187.084 -78.557 413.299 -98.4963 213.509 -270.969 149.409 -236.177 405.708 PRESSAVG: 3517600 -21.6044 73.5904 74.4141 73.5904 10.7248 5.57068 74.414 5.5707 15.7176 GPRESSAVG: 3517600 -22.8658 72.0846 73.1217 72.2909 10.8501 4.70449 72.4547 7.53859 17.1984 TIMING: 3517600 CPU: 11181.7, 0.00313886/step Wall: 11181.7, 0.00313886/step, 1.29251 hours remaining, 241.320312 MB of memory in use. ENERGY: 3517600 3950.5138 20368.3601 14484.1897 237.3257 -203766.6801 2695.1178 0.0000 0.0000 52038.4276 -109992.7454 299.0656 -162031.1730 -109634.2398 298.4803 236.3442 268.7669 758832.8170 1.6127 1.7275 PRESSURE: 3517800 -325.58 -21.1295 247.953 -21.1297 -108.822 -107.559 247.953 -107.558 -123.266 GPRESSURE: 3517800 -270.954 12.0825 271.025 8.96717 -106.662 -73.7503 349.418 -45.2257 -101.654 PRESSAVG: 3517800 10.5526 15.6016 60.6279 15.6016 16.3429 18.6687 60.6279 18.6687 12.8031 GPRESSAVG: 3517800 11.188 15.9905 62.0176 17.4375 14.6758 18.7397 62.0352 18.5874 14.0824 TIMING: 3517800 CPU: 11182.3, 0.00316095/step Wall: 11182.3, 0.00316095/step, 1.30143 hours remaining, 241.320312 MB of memory in use. ENERGY: 3517800 4028.6000 20418.1165 14465.1272 277.4507 -203576.2078 2516.3395 0.0000 0.0000 51820.6355 -110049.9384 297.8139 -161870.5739 -109684.3118 298.0263 -185.8894 -159.7567 760131.7818 13.2329 13.3154 PRESSURE: 3518000 -304.988 138.486 -88.823 138.486 -65.9316 -72.8827 -88.823 -72.8827 354.813 GPRESSURE: 3518000 -186.497 142.373 -79.6357 -35.3026 63.0449 -26.6846 -23.6232 -159.074 209.827 PRESSAVG: 3518000 -4.03499 36.5326 -4.00678 36.5327 2.95737 4.48578 -4.00677 4.4858 -6.212 GPRESSAVG: 3518000 -4.38745 38.0918 -2.35458 34.2842 4.60006 3.82869 -2.47902 3.89167 -7.39355 TIMING: 3518000 CPU: 11182.9, 0.0031445/step Wall: 11182.9, 0.0031445/step, 1.29448 hours remaining, 241.320312 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: 3518000 3977.8913 20469.0593 14453.0929 267.7721 -203714.0088 2662.0712 0.0000 0.0000 52147.8643 -109736.2578 299.6945 -161884.1221 -109373.7449 298.8006 -5.3687 28.7916 760874.7761 -2.4299 -2.3936 PRESSURE: 3518200 255.295 6.45347 3.27124 6.45292 -149.748 -208.787 3.27162 -208.786 281.088 GPRESSURE: 3518200 275.319 -55.2529 -48.1779 -28.9777 -139.632 -59.5652 -47.1378 -426.45 345.916 PRESSAVG: 3518200 11.0038 -11.6785 -0.13212 -11.6785 -29.1369 -60.9054 -0.132148 -60.9053 22.2266 GPRESSAVG: 3518200 11.4221 -11.0101 -2.41382 -10.4691 -29.9458 -61.1706 -1.87434 -59.0771 23.0219 TIMING: 3518200 CPU: 11183.6, 0.00315218/step Wall: 11183.6, 0.00315218/step, 1.29747 hours remaining, 241.320312 MB of memory in use. ENERGY: 3518200 4036.8576 20546.8111 14404.0002 259.0130 -203278.2302 2342.1562 0.0000 0.0000 52041.2814 -109648.1106 299.0820 -161689.3921 -109286.0904 299.4632 128.8785 160.5344 760598.3293 1.3645 1.4994 PRESSURE: 3518400 -273.648 92.4772 130.996 92.477 103.988 14.6745 130.996 14.6735 -67.7949 GPRESSURE: 3518400 -190.862 64.3627 109.452 149.455 52.9968 38.9194 242.725 32.6217 -12.2856 PRESSAVG: 3518400 8.73283 24.5209 -7.13873 24.5209 27.093 -57.4312 -7.1387 -57.4312 -1.47523 GPRESSAVG: 3518400 7.60259 22.4503 -6.11201 24.6963 27.6864 -57.0945 -7.43018 -57.6053 -1.87335 TIMING: 3518400 CPU: 11184.2, 0.00315404/step Wall: 11184.2, 0.00315404/step, 1.29806 hours remaining, 241.320312 MB of memory in use. ENERGY: 3518400 3994.6533 20525.0604 14433.0923 260.0899 -203584.4425 2633.3726 0.0000 0.0000 51929.6716 -109808.5025 298.4405 -161738.1741 -109452.3046 299.3036 -79.1516 -50.0502 759696.1877 11.4502 11.1386 PRESSURE: 3518600 -315.954 216.539 114.998 216.539 -291.504 -11.9683 114.998 -11.968 -269.516 GPRESSURE: 3518600 -268.858 297.63 180.993 135.154 -245.896 -11.3629 104.62 15.1073 -285.104 PRESSAVG: 3518600 -7.58559 26.2873 -36.8442 26.2873 29.6754 -12.9158 -36.8442 -12.9158 -0.134938 GPRESSAVG: 3518600 -6.28047 24.4724 -38.5677 27.8385 27.8548 -12.7518 -33.9426 -15.2407 0.159018 TIMING: 3518600 CPU: 11184.8, 0.00314443/step Wall: 11184.8, 0.00314443/step, 1.29393 hours remaining, 241.320312 MB of memory in use. ENERGY: 3518600 4051.2135 20588.2584 14521.2890 254.8203 -203487.3550 2453.6546 0.0000 0.0000 51998.8860 -109619.2333 298.8383 -161618.1193 -109258.1433 298.7678 -292.3250 -266.6194 759868.5207 7.3183 7.2444 PRESSURE: 3518800 -26.9331 -10.3521 -165.136 -10.3518 126.151 338.145 -165.136 338.145 380.501 GPRESSURE: 3518800 126.229 24.4152 -193.623 -22.3534 71.1464 378.283 -149.171 227.001 347.322 PRESSAVG: 3518800 4.23879 -17.2215 -38.3617 -17.2215 -11.5773 11.9602 -38.3617 11.9601 -26.0439 GPRESSAVG: 3518800 4.02716 -12.7724 -39.0808 -19.4068 -12.3067 12.2027 -39.4137 12.8768 -25.3688 TIMING: 3518800 CPU: 11185.5, 0.00316243/step Wall: 11185.5, 0.00316243/step, 1.30116 hours remaining, 241.320312 MB of memory in use. ENERGY: 3518800 3994.9824 20648.3197 14396.5208 242.2785 -203721.6680 2825.8384 0.0000 0.0000 51882.1652 -109731.5629 298.1675 -161613.7282 -109370.0698 299.2107 159.9064 181.5659 760349.3501 -11.1275 -11.2161 PRESSURE: 3519000 139.964 -17.4323 -369.629 -17.4312 -11.9986 4.18954 -369.629 4.18954 -26.5532 GPRESSURE: 3519000 120.738 15.0915 -418.178 81.781 66.9016 -39.5603 -237.563 99.5703 -7.28397 PRESSAVG: 3519000 58.7228 18.4195 6.31749 18.4196 5.0622 30.5156 6.31754 30.5155 15.7095 GPRESSAVG: 3519000 59.5116 17.4235 8.24052 18.1066 6.82833 30.9871 6.87772 31.4715 12.8534 TIMING: 3519000 CPU: 11186.1, 0.00320121/step Wall: 11186.1, 0.00320121/step, 1.31694 hours remaining, 241.320312 MB of memory in use. ENERGY: 3519000 3918.9761 20568.3732 14497.9125 262.2535 -203831.3083 2694.2437 0.0000 0.0000 52076.7481 -109812.8012 299.2858 -161889.5493 -109445.6972 299.0464 33.8041 60.1184 758876.7500 26.4982 26.3978 PRESSURE: 3519200 -74.4055 42.5179 135.228 42.5179 -64.3128 -112.868 135.228 -112.868 -23.3697 GPRESSURE: 3519200 -44.0442 24.7797 116.865 102.069 -23.2913 -174.75 7.38492 -172.332 3.27904 PRESSAVG: 3519200 37.3661 37.1698 16.8488 37.1697 -2.92864 -60.4294 16.8488 -60.4295 6.40619 GPRESSAVG: 3519200 35.7241 37.0063 16.6097 35.6888 -1.71579 -62.9547 13.2083 -60.207 6.96252 TIMING: 3519200 CPU: 11186.7, 0.00317717/step Wall: 11186.7, 0.00317717/step, 1.30687 hours remaining, 241.320312 MB of memory in use. ENERGY: 3519200 3878.3026 20420.4813 14449.2898 262.5636 -203565.7291 2687.6591 0.0000 0.0000 52208.6117 -109658.8210 300.0436 -161867.4327 -109291.4977 298.9566 -54.0293 -21.3522 760775.8229 13.6145 13.6570 PRESSURE: 3519400 84.226 35.0785 -123.288 35.0783 155.274 168.717 -123.289 168.716 211.044 GPRESSURE: 3519400 52.3625 20.5826 -180.089 72.531 235.097 89.0623 -92.9253 206.61 251.604 PRESSAVG: 3519400 27.656 34.3819 -18.3016 34.3819 2.06333 -20.5675 -18.3016 -20.5675 -18.4817 GPRESSAVG: 3519400 27.7772 34.4389 -19.6777 35.434 0.822243 -19.2404 -17.2778 -20.6658 -17.2065 TIMING: 3519400 CPU: 11187.4, 0.00316144/step Wall: 11187.4, 0.00316144/step, 1.30023 hours remaining, 241.320312 MB of memory in use. ENERGY: 3519400 3930.0451 20442.7733 14485.3067 247.7598 -202941.0173 2251.7375 0.0000 0.0000 52262.7388 -109320.6561 300.3547 -161583.3949 -108956.4129 299.6885 150.1813 179.6877 759857.9259 3.7459 3.7976 PRESSURE: 3519600 -328.348 98.9277 77.0202 98.9284 -214.067 119.882 77.0196 119.881 -85.6101 GPRESSURE: 3519600 -272.408 144.415 21.4097 135.077 -167.97 103.478 82.5493 18.8811 -107.666 PRESSAVG: 3519600 51.9729 30.7866 -0.888257 30.7866 -32.7589 29.385 -0.888251 29.3849 -28.7734 GPRESSAVG: 3519600 52.7276 31.1134 -0.651588 31.466 -33.4498 28.8703 0.91981 29.4657 -29.1809 TIMING: 3519600 CPU: 11188, 0.00315582/step Wall: 11188, 0.00315581/step, 1.29774 hours remaining, 241.320312 MB of memory in use. ENERGY: 3519600 4051.1768 20616.8800 14423.3932 215.9638 -202753.6302 1921.2711 0.0000 0.0000 52331.1441 -109193.8012 300.7478 -161524.9453 -108834.3800 299.9476 -209.3415 -182.6812 758917.4231 -3.1865 -3.3011 PRESSURE: 3519800 -298.009 83.8179 93.4881 83.8181 -311.56 -91.9507 93.4889 -91.9507 -8.49414 GPRESSURE: 3519800 -285.311 92.7491 65.51 62.2817 -189.386 -62.5045 137.59 -44.4986 -36.5839 PRESSAVG: 3519800 -4.32667 -5.31999 27.0806 -5.32001 16.2593 30.6748 27.0806 30.6748 24.6241 GPRESSAVG: 3519800 -5.88974 -5.55595 28.6543 -5.76978 17.9549 32.8444 27.8688 29.3165 24.1372 TIMING: 3519800 CPU: 11188.6, 0.00315064/step Wall: 11188.6, 0.00315064/step, 1.29544 hours remaining, 241.320312 MB of memory in use. ENERGY: 3519800 4037.5282 20462.8038 14362.3474 244.7658 -203075.7962 2353.1595 0.0000 0.0000 52375.1202 -109240.0713 301.0005 -161615.1914 -108880.2065 300.3005 -206.0210 -170.4268 759443.0339 12.1856 12.0674 PRESSURE: 3520000 149.747 159.501 -173.008 159.501 -17.2949 74.7886 -173.009 74.7884 142.612 GPRESSURE: 3520000 140.405 60.8818 -141.59 -5.56966 37.0635 -1.50809 -126.256 73.9645 181.664 PRESSAVG: 3520000 -5.47118 28.4973 -29.3687 28.4974 -39.7282 -25.092 -29.3687 -25.0921 17.589 GPRESSAVG: 3520000 -4.66616 28.3974 -29.816 28.6604 -39.5091 -27.6017 -28.224 -22.9236 16.5388 TIMING: 3520000 CPU: 11189.3, 0.00316166/step Wall: 11189.3, 0.00316166/step, 1.29979 hours remaining, 241.320312 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: 3520000 4030.6239 20509.5000 14464.6618 258.8530 -202806.1262 2249.3093 0.0000 0.0000 52165.2455 -109127.9325 299.7944 -161293.1780 -108770.9051 300.2082 91.6883 119.7106 760220.6644 -9.2034 -9.2122 PRESSURE: 3520200 -541.116 -79.0187 80.924 -79.0185 111.061 -52.9878 80.9243 -52.9878 12.4821 GPRESSURE: 3520200 -438.894 -81.8716 46.4193 -74.4461 128.849 -126.983 24.9638 -71.5053 -36.7399 PRESSAVG: 3520200 -8.26776 52.2938 22.2246 52.2937 6.20563 -24.5708 22.2245 -24.5708 -54.9996 GPRESSAVG: 3520200 -8.07684 52.1967 23.0483 53.2563 4.87436 -23.7793 17.2848 -24.9827 -53.623 TIMING: 3520200 CPU: 11189.9, 0.00317424/step Wall: 11189.9, 0.00317424/step, 1.30479 hours remaining, 241.320312 MB of memory in use. ENERGY: 3520200 3999.3010 20682.3262 14435.1220 256.7456 -203124.4820 2186.1781 0.0000 0.0000 52258.7729 -109306.0362 300.3319 -161564.8091 -108941.9976 299.8104 -139.1908 -115.5949 760903.2102 -19.0206 -18.9418 LDB: ============= START OF LOAD BALANCING ============== 11202.3 LDB: ============== END OF LOAD BALANCING =============== 11202.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11202.3 LDB: ============= START OF LOAD BALANCING ============== 11202.7 LDB: Largest compute 7060 load 0.034989 is 17.9% of average load 0.195259 LDB: Average compute 0.004401 is 2.3% of average load 0.195259 LDB: TIME 11202.7 LOAD: AVG 0.195259 MAX 0.217437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 11202.7 LOAD: AVG 0.195259 MAX 0.217437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 11202.7 LOAD: AVG 0.195259 MAX 0.217437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 11202.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11202.7 PRESSURE: 3520400 -40.5412 -152.987 181.823 -152.986 196.121 140.035 181.822 140.035 256.232 GPRESSURE: 3520400 -88.2955 -165.771 123.911 -128.597 248.249 56.5832 134.278 195.152 317.731 PRESSAVG: 3520400 47.8701 -44.0717 -9.98328 -44.0717 -14.3715 24.9346 -9.98335 24.9345 22.4389 GPRESSAVG: 3520400 48.8671 -42.3331 -12.4567 -45.239 -15.1825 24.8723 -6.91057 25.5719 21.3907 TIMING: 3520400 CPU: 11190.5, 0.00321834/step Wall: 11190.5, 0.00321835/step, 1.32274 hours remaining, 240.039062 MB of memory in use. ENERGY: 3520400 4016.5671 20621.1385 14387.6543 250.7158 -203155.5073 2558.3202 0.0000 0.0000 52164.0308 -109157.0806 299.7874 -161321.1114 -108794.7771 299.7045 137.2708 159.2280 761541.2292 18.6458 18.3585 PRESSURE: 3520600 -341.893 37.4315 189.984 37.4325 -232.864 101.285 189.983 101.284 -273.672 GPRESSURE: 3520600 -368.2 38.2692 191.715 36.2548 -152.906 174.254 164.13 167.037 -231.416 PRESSAVG: 3520600 0.114318 -4.67025 10.4129 -4.67013 -33.7079 65.7031 10.4129 65.703 -6.43633 GPRESSAVG: 3520600 -1.16025 -4.8561 12.4517 -5.80756 -32.6041 66.2311 11.8793 65.7582 -6.20756 TIMING: 3520600 CPU: 11191.2, 0.00314966/step Wall: 11191.2, 0.00314966/step, 1.29434 hours remaining, 240.039062 MB of memory in use. ENERGY: 3520600 3977.2545 20562.4384 14474.5878 247.0604 -203105.1032 2191.3035 0.0000 0.0000 52416.9122 -109235.5464 301.2407 -161652.4586 -108865.3613 300.0660 -282.8097 -250.8408 761570.6470 -13.3433 -13.3240 PRESSURE: 3520800 328.838 207.293 -4.86971 207.294 203.628 78.4503 -4.86949 78.4499 190.686 GPRESSURE: 3520800 378.41 234.113 -40.4504 255.277 223.296 50.2412 34.8273 103.889 217.054 PRESSAVG: 3520800 -38.7979 39.8384 23.1188 39.8385 50.0341 18.8852 23.1188 18.8853 -16.0369 GPRESSAVG: 3520800 -38.1675 36.6592 22.7956 40.9736 49.6379 19.3292 21.983 16.6965 -16.1698 TIMING: 3520800 CPU: 11191.8, 0.00315603/step Wall: 11191.8, 0.00315603/step, 1.29678 hours remaining, 240.039062 MB of memory in use. ENERGY: 3520800 4040.4667 20589.2971 14481.4042 257.7416 -203656.8340 2647.0000 0.0000 0.0000 52446.5733 -109194.3510 301.4112 -161640.9243 -108829.4608 300.1628 241.0505 272.9200 761190.8082 -1.6002 -1.5665 PRESSURE: 3521000 -206.781 -226.851 61.6241 -226.85 -23.3042 66.9862 61.6229 66.9857 -149.567 GPRESSURE: 3521000 -187.993 -268.186 144.815 -220.476 59.5536 54.2434 -7.80313 237.781 -160.824 PRESSAVG: 3521000 11.5013 -22.0866 11.295 -22.0866 -8.46035 3.2087 11.2949 3.20861 -12.6092 GPRESSAVG: 3521000 9.39981 -19.2335 13.8365 -20.6866 -7.01791 1.85322 9.75608 4.11597 -12.1772 TIMING: 3521000 CPU: 11192.4, 0.00317828/step Wall: 11192.4, 0.00317828/step, 1.30574 hours remaining, 240.039062 MB of memory in use. ENERGY: 3521000 3957.6578 20848.1029 14540.8939 244.6031 -203219.8682 2198.6373 0.0000 0.0000 52069.2142 -109360.7591 299.2425 -161429.9733 -108991.1858 300.5432 -126.5509 -96.4211 760768.3383 -3.1894 -3.2651 PRESSURE: 3521200 -179.01 143.922 36.8902 143.922 55.298 -126.777 36.891 -126.776 124.573 GPRESSURE: 3521200 -86.2595 37.3881 94.9165 125.441 4.38148 -179.968 -31.0918 -105.802 152.057 PRESSAVG: 3521200 -45.7476 -23.2703 -53.0602 -23.2703 37.7642 -33.7936 -53.0602 -33.7937 -8.29753 GPRESSAVG: 3521200 -44.7638 -23.6126 -55.1346 -24.8236 35.6831 -34.0271 -52.2959 -34.1231 -6.78441 TIMING: 3521200 CPU: 11193.1, 0.0031685/step Wall: 11193.1, 0.0031685/step, 1.30155 hours remaining, 240.039062 MB of memory in use. ENERGY: 3521200 3919.1434 20478.2364 14557.8907 227.2363 -203426.8464 2354.9154 0.0000 0.0000 52393.2054 -109496.2187 301.1045 -161889.4241 -109119.5503 300.3632 0.2869 23.3931 760620.4452 -5.4270 -5.2884 PRESSURE: 3521400 113.302 -134.864 178.309 -134.864 -259.996 133.076 178.31 133.077 85.6886 GPRESSURE: 3521400 192.472 -79.8413 157.497 22.6369 -242.019 216.974 109.857 159.05 79.439 PRESSAVG: 3521400 37.5377 16.566 -29.8548 16.566 -19.4221 12.6083 -29.8547 12.6083 2.74308 GPRESSAVG: 3521400 38.7839 16.3784 -29.3414 15.8067 -19.6347 13.479 -30.8991 13.3125 1.17729 TIMING: 3521400 CPU: 11193.7, 0.00316811/step Wall: 11193.7, 0.00316811/step, 1.30121 hours remaining, 240.039062 MB of memory in use. ENERGY: 3521400 3934.4832 20535.7647 14455.4960 252.6117 -203589.5341 2409.4969 0.0000 0.0000 52468.6043 -109533.0773 301.5378 -162001.6816 -109167.0417 299.7690 -20.3354 9.9640 759936.6314 6.9529 6.7755 PRESSURE: 3521600 -97.4768 53.5474 129.764 53.5478 -415.377 -9.07629 129.765 -9.07661 -625.032 GPRESSURE: 3521600 -65.0997 -17.2593 145.752 33.7555 -363.843 -47.391 42.3088 62.5851 -607.415 PRESSAVG: 3521600 21.9766 -29.2292 -21.8216 -29.2292 -47.6018 -13.5794 -21.8215 -13.5793 -1.01088 GPRESSAVG: 3521600 21.5472 -27.7618 -21.4804 -28.2202 -47.1396 -12.549 -19.831 -12.9916 -1.34324 TIMING: 3521600 CPU: 11194.3, 0.00315451/step Wall: 11194.3, 0.00315451/step, 1.29545 hours remaining, 240.039062 MB of memory in use. ENERGY: 3521600 3983.3225 20546.0229 14484.7926 242.3635 -202986.8495 2274.1804 0.0000 0.0000 51976.2084 -109479.9592 298.7080 -161456.1676 -109118.1763 299.3981 -379.2952 -345.4528 762472.9990 -8.8787 -8.9786 PRESSURE: 3521800 52.3036 30.9372 -106.783 30.9373 -36.735 -121.042 -106.783 -121.041 46.6601 GPRESSURE: 3521800 22.8807 107.345 -48.1563 30.5105 5.97708 -160.381 -75.7757 -130.338 108.411 PRESSAVG: 3521800 -44.5967 7.72871 25.7358 7.72873 41.8735 -7.14652 25.7358 -7.14657 23.7094 GPRESSAVG: 3521800 -45.5717 8.93866 24.9511 6.99707 41.9906 -7.6469 26.3543 -8.35329 24.6534 TIMING: 3521800 CPU: 11195, 0.00315043/step Wall: 11195, 0.00315043/step, 1.2936 hours remaining, 240.039062 MB of memory in use. ENERGY: 3521800 3970.7378 20699.9492 14497.6161 266.2377 -203693.9438 2773.6677 0.0000 0.0000 52121.2705 -109364.4649 299.5417 -161485.7354 -109002.2597 299.2953 20.7429 45.7562 760910.9342 6.9954 7.0241 PRESSURE: 3522000 -42.3372 -1.81463 6.68851 -1.81467 -368.455 -72.1142 6.68828 -72.1128 75.0287 GPRESSURE: 3522000 -37.473 43.728 85.206 -92.9996 -269.903 -94.1748 17.2889 -36.338 40.142 PRESSAVG: 3522000 15.1905 -18.3625 6.3771 -18.3625 -10.6944 -9.13985 6.37702 -9.13991 -5.70265 GPRESSAVG: 3522000 16.0194 -19.5086 6.95991 -19.7694 -11.8405 -8.82446 4.86164 -9.03326 -5.86104 TIMING: 3522000 CPU: 11195.6, 0.00314771/step Wall: 11195.6, 0.00314771/step, 1.29231 hours remaining, 240.039062 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: 3522000 3967.1106 20616.9749 14434.5642 251.6515 -203118.6963 2194.7902 0.0000 0.0000 51953.7521 -109699.8528 298.5789 -161653.6048 -109345.8803 299.2624 -111.9210 -89.0781 759520.1021 -0.4022 -0.5607 PRESSURE: 3522200 226.88 46.663 57.9147 46.6631 -174.706 120.664 57.9143 120.665 64.2852 GPRESSURE: 3522200 306.741 -16.8619 51.7328 114.894 -118.397 66.0063 109.034 140.173 28.5507 PRESSAVG: 3522200 43.1531 -18.1462 27.5591 -18.1462 -19.1387 7.63578 27.5591 7.63585 -1.47528 GPRESSAVG: 3522200 43.2147 -21.2721 27.7713 -14.8282 -18.6802 6.64924 26.879 7.74635 -2.14355 TIMING: 3522200 CPU: 11196.2, 0.00315466/step Wall: 11196.2, 0.00315466/step, 1.29499 hours remaining, 240.039062 MB of memory in use. ENERGY: 3522200 3951.2784 20575.4679 14477.8457 232.0821 -203428.1621 2347.7882 0.0000 0.0000 52015.3525 -109828.3473 298.9329 -161843.6998 -109466.4726 299.1403 38.8199 72.2984 758430.3865 7.5130 7.4637 PRESSURE: 3522400 -62.8168 -168.258 72.775 -168.257 -3.08549 145.459 72.7764 145.459 92.3352 GPRESSURE: 3522400 -59.4145 -101.313 72.311 -172.877 77.5083 132.756 44.0473 86.8876 105.871 PRESSAVG: 3522400 -11.6748 -14.7642 50.8285 -14.7642 -7.26452 26.7138 50.8285 26.7138 -12.563 GPRESSAVG: 3522400 -12.419 -13.6086 51.8847 -13.7052 -6.90647 27.8978 49.5337 27.1667 -11.7216 TIMING: 3522400 CPU: 11196.9, 0.00315177/step Wall: 11196.9, 0.00315177/step, 1.29362 hours remaining, 240.039062 MB of memory in use. ENERGY: 3522400 3983.3114 20444.1988 14466.6547 252.5949 -203297.5443 2068.5454 0.0000 0.0000 52187.6248 -109894.6144 299.9230 -162082.2392 -109525.7425 298.5483 8.8110 41.3215 756909.7485 -10.5008 -10.3490 PRESSURE: 3522600 -577.581 96.237 -177.835 96.2376 -187.624 0.861997 -177.834 0.861889 -27.6389 GPRESSURE: 3522600 -427.61 -85.7189 -124.232 17.2724 -231.402 17.5605 -109.836 12.7573 -49.2704 PRESSAVG: 3522600 6.31221 -11.0125 21.782 -11.0124 -0.322376 9.66585 21.7821 9.66584 16.0508 GPRESSAVG: 3522600 7.29281 -11.8041 20.4892 -13.324 0.0728878 7.47115 24.8672 10.0586 14.8949 TIMING: 3522600 CPU: 11197.5, 0.00314234/step Wall: 11197.5, 0.00314234/step, 1.28958 hours remaining, 240.039062 MB of memory in use. ENERGY: 3522600 4055.6578 20521.6941 14501.6271 244.2867 -203409.4409 2225.8093 0.0000 0.0000 51804.4778 -110055.8881 297.7210 -161860.3659 -109693.9792 299.0010 -264.2814 -236.0941 758821.3355 7.3469 7.4202 PRESSURE: 3522800 129.651 -65.3527 -70.5858 -65.3528 493.737 6.01819 -70.5851 6.01846 200.583 GPRESSURE: 3522800 150.146 -105.328 -156.906 -105.576 511.539 -14.4171 -167.76 -65.1812 253.275 PRESSAVG: 3522800 -8.24175 2.51196 3.66891 2.51196 21.5748 7.7036 3.66895 7.70358 -9.15998 GPRESSAVG: 3522800 -8.64652 2.83971 2.72918 3.01587 20.9289 10.4452 4.38717 5.57978 -7.86688 TIMING: 3522800 CPU: 11198.1, 0.00315149/step Wall: 11198.1, 0.00315149/step, 1.29316 hours remaining, 240.039062 MB of memory in use. ENERGY: 3522800 4032.2224 20489.9523 14484.8269 256.1833 -203741.1165 2493.4209 0.0000 0.0000 51778.9015 -110205.6092 297.5741 -161984.5107 -109841.8896 298.5064 274.6568 304.9867 758698.0621 1.3910 1.4718 PRESSURE: 3523000 -214.812 12.1863 229.734 12.1869 -84.2973 75.7563 229.735 75.7561 104.031 GPRESSURE: 3523000 -229.792 -71.1487 146.475 -5.66937 55.4292 -25.5288 223 109.381 56.7292 PRESSAVG: 3523000 5.76152 3.16612 12.1833 3.16609 48.2443 38.746 12.1833 38.7459 -32.5126 GPRESSAVG: 3523000 5.87073 4.0997 13.5779 1.6447 49.3198 36.4043 10.1068 40.4583 -33.7305 TIMING: 3523000 CPU: 11198.7, 0.00313494/step Wall: 11198.7, 0.00313494/step, 1.28619 hours remaining, 240.039062 MB of memory in use. ENERGY: 3523000 4019.2918 20673.8868 14429.1990 233.2454 -203610.2530 2413.4309 0.0000 0.0000 51862.8119 -109978.3871 298.0563 -161841.1991 -109616.9105 298.6954 -65.0262 -39.2111 759396.3605 7.1644 7.1533 PRESSURE: 3523200 165.791 -190.591 -123.025 -190.591 -150.751 -238.908 -123.026 -238.907 -276.548 GPRESSURE: 3523200 222.616 -266.171 -115.337 -149.119 -170.601 -328.834 -41.2683 -240.372 -214.178 PRESSAVG: 3523200 -43.1301 3.91318 44.3639 3.91322 -8.44801 32.6444 44.364 32.6444 -6.70669 GPRESSAVG: 3523200 -42.9469 3.81514 44.5464 6.21924 -8.47308 33.61 44.9676 33.049 -6.68962 TIMING: 3523200 CPU: 11199.4, 0.00314568/step Wall: 11199.4, 0.00314568/step, 1.29043 hours remaining, 240.039062 MB of memory in use. ENERGY: 3523200 4032.9207 20590.1999 14423.5560 250.6425 -203909.6763 2369.2673 0.0000 0.0000 51958.4732 -110284.6168 298.6061 -162243.0899 -109937.8302 298.5215 -87.1694 -54.0540 758348.7831 -19.4283 -19.3699 PRESSURE: 3523400 -37.9779 8.06018 228.434 8.06182 70.7775 26.2782 228.434 26.2779 -266.044 GPRESSURE: 3523400 45.8483 -8.57642 189.845 -49.4266 90.7417 -66.8414 153.087 -57.4077 -273.896 PRESSAVG: 3523400 -25.0168 12.044 11.2426 12.044 10.9833 35.0614 11.2426 35.0614 4.56722 GPRESSAVG: 3523400 -23.9102 12.7891 11.3901 9.41465 9.46729 35.5687 10.7233 33.4187 4.39022 TIMING: 3523400 CPU: 11200, 0.00315307/step Wall: 11200, 0.00315307/step, 1.29329 hours remaining, 240.039062 MB of memory in use. ENERGY: 3523400 4023.3131 20394.9052 14443.8953 259.7405 -204076.1561 2670.1222 0.0000 0.0000 51908.9287 -110375.2511 298.3213 -162284.1798 -110016.1450 298.6824 -77.7482 -45.7686 758627.9157 -3.1554 -3.3509 PRESSURE: 3523600 83.1311 -207.093 215.724 -207.094 186.803 337.387 215.723 337.387 522.563 GPRESSURE: 3523600 122.555 -310.859 158.266 -177.428 171.687 265.343 208.507 310.255 570.885 PRESSAVG: 3523600 12.7713 -37.9688 40.6516 -37.9687 43.5445 1.60967 40.6516 1.60976 -23.9357 GPRESSAVG: 3523600 12.0103 -37.7015 40.1307 -36.4661 44.4943 1.07498 40.0712 1.24172 -23.7254 TIMING: 3523600 CPU: 11200.6, 0.0031299/step Wall: 11200.6, 0.0031299/step, 1.28361 hours remaining, 240.039062 MB of memory in use. ENERGY: 3523600 3960.1550 20536.6155 14356.2657 252.0476 -204045.4274 2733.9644 0.0000 0.0000 51867.8084 -110338.5708 298.0850 -162206.3792 -109978.7386 297.7691 264.1658 288.3757 757337.6253 10.7934 10.9264 PRESSURE: 3523800 -386.11 82.2161 25.3117 82.2159 300.799 94.4633 25.3107 94.4638 100.211 GPRESSURE: 3523800 -310.235 157.727 30.3194 19.6419 297.752 179.392 1.66849 44.1942 121.34 PRESSAVG: 3523800 -0.21678 -26.5891 20.5014 -26.5892 46.1026 36.1582 20.5013 36.1581 7.79459 GPRESSAVG: 3523800 0.536216 -26.8917 21.3942 -28.5114 46.7002 36.3728 21.5797 36.4137 6.40232 TIMING: 3523800 CPU: 11201.3, 0.00313639/step Wall: 11201.3, 0.00313639/step, 1.2861 hours remaining, 240.039062 MB of memory in use. ENERGY: 3523800 3952.2571 20593.9322 14364.5568 226.6921 -203898.9000 2507.1247 0.0000 0.0000 52223.5293 -110030.8079 300.1293 -162254.3372 -109673.3725 298.3021 4.9666 36.2859 760492.7367 17.8935 17.8796 PRESSURE: 3524000 -91.7093 -193.64 -26.3339 -193.639 -378.975 62.7056 -26.3328 62.7064 483.784 GPRESSURE: 3524000 -48.4778 80.0483 58.3255 -154.954 -311.358 27.7534 -52.1825 -8.80635 474.128 PRESSAVG: 3524000 -96.2128 -20.3765 -21.8267 -20.3765 101.306 13.2913 -21.8267 13.2913 -16.2795 GPRESSAVG: 3524000 -96.6416 -17.724 -23.6737 -20.3854 101.356 13.2821 -21.7213 13.6483 -15.6342 TIMING: 3524000 CPU: 11201.9, 0.00315233/step Wall: 11201.9, 0.00315233/step, 1.29245 hours remaining, 240.039062 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: 3524000 3954.7390 20388.7650 14398.0163 232.9266 -203592.5250 2329.1028 0.0000 0.0000 52084.6963 -110204.2791 299.3315 -162288.9754 -109838.8288 298.6649 4.3666 38.0974 760070.7887 -3.7286 -3.6399 PRESSURE: 3524200 -133.667 184.666 -34.0711 184.667 -82.3944 -380.5 -34.0709 -380.5 -11.7207 GPRESSURE: 3524200 -101.23 122.335 -85.7217 196.47 -85.9782 -330.425 -105.149 -189.736 48.697 PRESSAVG: 3524200 66.733 22.4905 26.8186 22.4905 -59.4246 -20.2477 26.8186 -20.2477 15.3927 GPRESSAVG: 3524200 66.2323 19.5958 27.9135 24.9923 -59.9729 -19.814 26.9421 -19.1014 17.0284 TIMING: 3524200 CPU: 11202.5, 0.00316589/step Wall: 11202.5, 0.00316589/step, 1.29784 hours remaining, 240.039062 MB of memory in use. ENERGY: 3524200 3987.5429 20440.5062 14537.2352 249.2322 -204136.5236 2588.4305 0.0000 0.0000 51934.0916 -110399.4851 298.4659 -162333.5767 -110032.4048 298.0514 -75.9274 -46.1705 757671.9054 7.5671 7.7626 LDB: ============= START OF LOAD BALANCING ============== 11215 LDB: ============== END OF LOAD BALANCING =============== 11215 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11215 LDB: ============= START OF LOAD BALANCING ============== 11215.3 LDB: Largest compute 7048 load 0.036557 is 18.7% of average load 0.195384 LDB: Average compute 0.004408 is 2.3% of average load 0.195384 LDB: TIME 11215.3 LOAD: AVG 0.195384 MAX 0.216488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11215.3 LOAD: AVG 0.195384 MAX 0.216488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: TIME 11215.3 LOAD: AVG 0.195384 MAX 0.216488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: ============== END OF LOAD BALANCING =============== 11215.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11215.3 PRESSURE: 3524400 -101.227 152.807 85.889 152.807 126.45 -232.82 85.8894 -232.82 -463.512 GPRESSURE: 3524400 -125.441 69.5637 69.9827 105.147 203.429 -262.978 174.58 -212.883 -422.119 PRESSAVG: 3524400 0.05841 25.363 41.235 25.363 23.763 -56.4197 41.235 -56.4197 3.39946 GPRESSAVG: 3524400 0.613734 25.266 39.0697 22.7874 24.6131 -57.1418 41.965 -57.2963 2.04874 TIMING: 3524400 CPU: 11203.2, 0.00325145/step Wall: 11203.2, 0.00325145/step, 1.33273 hours remaining, 242.218750 MB of memory in use. ENERGY: 3524400 4008.8862 20439.3838 14464.5397 240.3306 -203783.0529 2203.3869 0.0000 0.0000 51962.1046 -110464.4210 298.6269 -162426.5256 -110103.8344 297.6184 -146.0963 -114.7106 758390.7128 9.0736 9.0919 PRESSURE: 3524600 -90.7738 -95.9477 -113.422 -95.948 -51.7499 149.412 -113.422 149.413 115.403 GPRESSURE: 3524600 -76.7553 -150.275 -161.193 -59.4186 -9.20993 183.542 -47.9091 68.4335 159.175 PRESSAVG: 3524600 -30.2859 5.41814 41.1417 5.41818 -22.1133 -22.1612 41.1417 -22.1611 1.19539 GPRESSAVG: 3524600 -28.9069 5.59265 40.592 5.95789 -22.562 -23.3315 41.7807 -20.5109 0.230647 TIMING: 3524600 CPU: 11203.8, 0.0031972/step Wall: 11203.8, 0.0031972/step, 1.31032 hours remaining, 242.218750 MB of memory in use. ENERGY: 3524600 4000.9592 20398.5666 14411.2444 232.5108 -204002.0549 2791.7316 0.0000 0.0000 51891.1389 -110275.9033 298.2191 -162167.0422 -109918.8877 298.3436 -9.0404 24.4031 760694.6856 -17.0679 -17.0794 PRESSURE: 3524800 -542.91 -112.655 1.39442 -112.656 -329.921 -171.256 1.3937 -171.255 17.9589 GPRESSURE: 3524800 -378.586 -0.56142 13.2281 -78.0019 -394.336 -94.9052 -37.8156 -165.138 11.0443 PRESSAVG: 3524800 -40.8602 19.2553 12.091 19.2553 6.59178 -41.213 12.0909 -41.213 16.3773 GPRESSAVG: 3524800 -42.2717 16.3968 12.2547 23.5104 6.10456 -39.4647 9.55004 -43.3389 18.5478 TIMING: 3524800 CPU: 11204.4, 0.00315605/step Wall: 11204.4, 0.00315605/step, 1.29328 hours remaining, 242.218750 MB of memory in use. ENERGY: 3524800 4003.6120 20590.2357 14390.0024 240.3735 -203497.7133 2223.1357 0.0000 0.0000 51763.6837 -110286.6702 297.4866 -162050.3539 -109930.0645 298.0750 -284.9573 -253.9593 760864.3313 -5.9637 -5.8731 PRESSURE: 3525000 -9.67621 -1.35059 28.7091 -1.34993 86.4098 -23.9678 28.7093 -23.9675 -203.454 GPRESSURE: 3525000 55.6258 45.937 38.4578 2.99653 56.3713 76.8475 -10.9934 11.0463 -170.497 PRESSAVG: 3525000 -45.2768 -18.4813 34.3161 -18.4813 33.9307 35.026 34.3161 35.026 9.59965 GPRESSAVG: 3525000 -44.7368 -14.5382 34.1678 -23.9222 33.2991 35.514 35.4397 36.1307 9.49972 TIMING: 3525000 CPU: 11205.1, 0.00314722/step Wall: 11205.1, 0.00314722/step, 1.28949 hours remaining, 242.218750 MB of memory in use. ENERGY: 3525000 3947.1485 20473.3414 14468.0304 231.5177 -204020.6701 2658.5658 0.0000 0.0000 51870.1354 -110371.9310 298.0984 -162242.0664 -110010.7180 298.5860 -42.2402 -19.4999 759301.0217 -0.5821 -0.6460 PRESSURE: 3525200 53.6541 14.3852 -80.6615 14.385 64.1035 30.4918 -80.6617 30.4919 90.7275 GPRESSURE: 3525200 129.743 -49.5937 -106.485 106.027 9.89578 -18.2059 -9.96191 95.7395 155.978 PRESSAVG: 3525200 2.75734 -13.3931 -3.28888 -13.3931 18.5976 4.56747 -3.28895 4.56742 22.5297 GPRESSAVG: 3525200 1.90306 -15.4264 -2.53862 -12.2114 20.009 2.13744 -2.47161 5.74674 21.2434 TIMING: 3525200 CPU: 11205.7, 0.00313563/step Wall: 11205.7, 0.00313563/step, 1.28456 hours remaining, 242.218750 MB of memory in use. ENERGY: 3525200 4003.5933 20566.5307 14456.9577 254.2669 -203964.8274 2462.8132 0.0000 0.0000 51856.2290 -110364.4367 298.0185 -162220.6657 -110005.8758 297.6816 69.4951 98.5391 757621.4290 14.6282 14.3852 PRESSURE: 3525400 92.0847 -72.4149 -169.998 -72.4151 244.593 74.7343 -169.998 74.7353 -253.813 GPRESSURE: 3525400 123.36 -12.2785 -155.946 0.812727 240.767 68.8443 -112.555 12.1724 -199.673 PRESSAVG: 3525400 -20.7493 25.256 28.8297 25.256 53.4581 23.9123 28.8297 23.9123 -10.5725 GPRESSAVG: 3525400 -21.6477 25.6728 29.2756 24.5621 53.3184 25.4053 28.4679 22.0757 -10.0982 TIMING: 3525400 CPU: 11206.3, 0.00315379/step Wall: 11206.3, 0.00315379/step, 1.29183 hours remaining, 242.218750 MB of memory in use. ENERGY: 3525400 4015.6802 20533.8488 14453.8832 239.5974 -204000.5014 2577.1029 0.0000 0.0000 51861.1188 -110319.2702 298.0466 -162180.3890 -109958.4856 297.7915 27.6215 54.8182 758126.5558 7.3788 7.1908 PRESSURE: 3525600 -435.742 -81.6642 -28.4744 -81.6637 -265.727 -128.563 -28.4746 -128.563 -120.647 GPRESSURE: 3525600 -390.402 64.7598 -9.52265 -28.5076 -251.426 -103.757 -53.6451 -120.388 -64.7281 PRESSAVG: 3525600 -0.716218 20.9728 25.2044 20.9728 3.78074 32.5721 25.2044 32.572 -5.82643 GPRESSAVG: 3525600 1.83351 22.3351 26.0304 21.783 1.92772 32.2131 25.7161 32.8948 -5.79041 TIMING: 3525600 CPU: 11207, 0.00317643/step Wall: 11207, 0.00317643/step, 1.30093 hours remaining, 242.218750 MB of memory in use. ENERGY: 3525600 3975.4949 20504.0675 14464.3978 251.9938 -203518.5713 2240.8322 0.0000 0.0000 52027.0989 -110054.6861 299.0005 -162081.7850 -109693.0599 298.0154 -274.0385 -235.5187 760283.5415 -0.9206 -0.6764 PRESSURE: 3525800 96.7064 -6.24706 183.339 -6.24655 367.804 116.396 183.339 116.397 39.2722 GPRESSURE: 3525800 136.283 -65.2423 146.034 94.1545 371.177 95.6353 152.736 237.167 95.3236 PRESSAVG: 3525800 9.13961 -6.42129 63.9238 -6.42132 23.4929 -15.762 63.9238 -15.7619 9.17897 GPRESSAVG: 3525800 7.31196 -6.88094 61.752 -6.79748 24.9284 -14.9028 62.3044 -16.1581 9.35447 TIMING: 3525800 CPU: 11207.6, 0.00315254/step Wall: 11207.6, 0.00315253/step, 1.29096 hours remaining, 242.218750 MB of memory in use. ENERGY: 3525800 3979.0456 20676.0416 14496.7908 261.8434 -203769.4783 2656.4012 0.0000 0.0000 51804.6649 -109894.6906 297.7221 -161699.3556 -109538.7865 298.8555 167.9277 200.9277 760116.7639 13.9372 13.8649 PRESSURE: 3526000 248.419 201.949 -192.678 201.949 4.02492 -232.66 -192.678 -232.661 53.6529 GPRESSURE: 3526000 272.005 143.444 -92.3577 154.672 48.7391 -149.643 -137.854 -385.855 77.4987 PRESSAVG: 3526000 -9.13425 -4.89062 60.7405 -4.8906 -31.4952 -8.83972 60.7405 -8.83975 16.5084 GPRESSAVG: 3526000 -7.86753 -2.69924 63.2778 -4.3307 -32.2164 -6.91838 60.4171 -8.05774 15.7332 TIMING: 3526000 CPU: 11208.2, 0.00316121/step Wall: 11208.2, 0.00316121/step, 1.29434 hours remaining, 242.218750 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: 3526000 4026.8688 20603.2335 14495.1444 236.9820 -203877.9510 2680.1788 0.0000 0.0000 51821.1323 -110014.4112 297.8168 -161835.5434 -109654.9700 298.5309 102.0324 132.7475 759842.3787 -8.0404 -8.1169 PRESSURE: 3526200 -348.974 26.3576 -0.52574 26.3587 90.7315 229.843 -0.525645 229.842 -304.242 GPRESSURE: 3526200 -210.905 -23.7301 -105.821 68.2782 79.0623 249.88 85.0842 196.11 -330.307 PRESSAVG: 3526200 18.8647 4.19628 6.90211 4.19633 18.7098 6.21586 6.90206 6.21575 -20.3024 GPRESSAVG: 3526200 18.5501 2.12269 5.48474 5.25717 18.6648 3.78704 5.67802 6.29612 -19.8055 TIMING: 3526200 CPU: 11208.9, 0.00317012/step Wall: 11208.9, 0.00317012/step, 1.29781 hours remaining, 242.218750 MB of memory in use. ENERGY: 3526200 3993.9401 20380.0730 14500.0285 237.6720 -203255.8855 2477.8653 0.0000 0.0000 51792.0401 -109874.2665 297.6496 -161666.3066 -109518.8635 298.4612 -187.4950 -154.0497 758897.9097 5.7574 5.8031 PRESSURE: 3526400 86.7068 -72.6823 -95.6414 -72.6817 99.9533 102.811 -95.6412 102.811 -236.493 GPRESSURE: 3526400 89.9494 -55.2301 -2.18686 -142.113 166.099 185.741 -155.013 136.701 -220.492 PRESSAVG: 3526400 0.557115 23.0627 16.2681 23.0627 -24.0441 42.548 16.2681 42.548 -1.07386 GPRESSAVG: 3526400 -0.745289 22.9421 17.3321 20.329 -23.9432 44.6371 17.2373 42.2329 -0.0629735 TIMING: 3526400 CPU: 11209.5, 0.00313489/step Wall: 11209.5, 0.00313489/step, 1.28322 hours remaining, 242.218750 MB of memory in use. ENERGY: 3526400 4001.7702 20489.5344 14557.9406 264.3539 -203682.8447 2626.2297 0.0000 0.0000 51840.9318 -109902.0842 297.9305 -161743.0160 -109545.3613 298.4079 -16.6110 11.8519 758209.0235 -8.1870 -8.2505 PRESSURE: 3526600 119.538 -42.7939 -171.009 -42.7948 30.136 410.76 -171.009 410.76 101.569 GPRESSURE: 3526600 163.609 54.8767 -180.549 -104.858 121.16 216.067 -131.423 223.997 46.1598 PRESSAVG: 3526600 37.781 -31.8245 -18.8276 -31.8245 -11.293 22.928 -18.8276 22.928 1.43986 GPRESSAVG: 3526600 38.1689 -31.152 -19.2448 -30.4064 -10.8311 22.3514 -17.7035 20.8143 0.718202 TIMING: 3526600 CPU: 11210.1, 0.00313893/step Wall: 11210.1, 0.00313893/step, 1.28469 hours remaining, 242.218750 MB of memory in use. ENERGY: 3526600 4030.2318 20403.4489 14451.1068 242.0962 -203458.6196 2352.4100 0.0000 0.0000 52154.0293 -109825.2965 299.7299 -161979.3259 -109456.5592 298.9849 83.7477 110.3096 757985.8262 9.3093 9.3520 PRESSURE: 3526800 -157.089 -9.65876 179.501 -9.65917 -324.078 -141.671 179.501 -141.67 70.6536 GPRESSURE: 3526800 -86.4437 -144.255 150.832 79.3708 -306.571 -40.1909 148.294 -76.2106 47.9408 PRESSAVG: 3526800 -5.99127 16.1113 6.49839 16.1113 -39.8001 31.181 6.49844 31.181 12.3657 GPRESSAVG: 3526800 -6.18027 15.6059 5.23306 14.5086 -39.7325 31.3262 6.14528 31.7777 12.3593 TIMING: 3526800 CPU: 11210.7, 0.00315989/step Wall: 11210.7, 0.00315989/step, 1.2931 hours remaining, 242.218750 MB of memory in use. ENERGY: 3526800 4072.1191 20639.0338 14459.9673 247.9571 -203395.1296 2331.5443 0.0000 0.0000 51818.5573 -109825.9506 297.8020 -161644.5079 -109464.5232 298.9398 -136.8378 -115.0247 760316.7467 -11.1419 -11.1845 PRESSURE: 3527000 -189.478 -8.12409 108.414 -8.12376 335.123 -111.815 108.414 -111.815 -231.451 GPRESSURE: 3527000 -92.9602 -58.1031 124.553 18.425 254.836 -114.977 110.089 -156.301 -160.189 PRESSAVG: 3527000 -29.3802 -72.531 26.7048 -72.531 19.6069 18.6501 26.7048 18.65 3.44517 GPRESSAVG: 3527000 -27.291 -74.5957 26.9827 -69.826 16.985 16.8006 27.3096 19.1077 4.54229 TIMING: 3527000 CPU: 11211.4, 0.00315503/step Wall: 11211.4, 0.00315503/step, 1.29093 hours remaining, 242.218750 MB of memory in use. ENERGY: 3527000 3950.6953 20429.5963 14417.5143 229.5261 -203583.9571 2577.3543 0.0000 0.0000 52147.2740 -109831.9968 299.6911 -161979.2708 -109464.6405 298.8143 -28.6018 0.5621 758431.7879 -2.1094 -1.9213 PRESSURE: 3527200 192.06 32.2397 -295.843 32.2404 184.487 302.309 -295.843 302.308 -256.521 GPRESSURE: 3527200 179.708 56.8626 -331.093 -83.1714 230.512 208.732 -182.007 203.498 -184.142 PRESSAVG: 3527200 26.1443 -33.6731 -1.95524 -33.6732 -4.61828 24.9816 -1.95522 24.9815 25.2878 GPRESSAVG: 3527200 24.955 -31.8598 -2.9858 -35.3768 -2.3975 26.6406 0.175983 24.0548 24.8817 TIMING: 3527200 CPU: 11212, 0.0031459/step Wall: 11212, 0.0031459/step, 1.28702 hours remaining, 242.218750 MB of memory in use. ENERGY: 3527200 4004.6932 20607.4959 14504.6678 245.2108 -203717.0200 2729.9319 0.0000 0.0000 51944.1013 -109680.9192 298.5235 -161625.0205 -109326.2237 299.1562 40.0089 75.3593 759454.3239 15.6046 15.8131 PRESSURE: 3527400 211.533 -161.629 127.408 -161.629 -79.5826 30.5077 127.408 30.5077 12.9943 GPRESSURE: 3527400 260.242 -165.835 101.355 -210.96 -68.1087 -86.6802 27.4003 12.8112 47.9638 PRESSAVG: 3527400 69.7782 21.0847 -24.9758 21.0847 -53.8324 6.33306 -24.9758 6.33305 1.02039 GPRESSAVG: 3527400 69.1451 21.4515 -24.2511 20.2391 -52.0115 6.47565 -27.2558 7.6806 0.373472 TIMING: 3527400 CPU: 11212.6, 0.0031568/step Wall: 11212.6, 0.0031568/step, 1.29131 hours remaining, 242.218750 MB of memory in use. ENERGY: 3527400 4005.2686 20398.4097 14509.7779 256.4505 -203839.0398 2512.1848 0.0000 0.0000 52325.7087 -109831.2397 300.7166 -162156.9484 -109466.1881 299.0918 48.3150 80.0325 759592.8772 5.6554 5.8357 PRESSURE: 3527600 118.067 -40.613 -161.916 -40.613 162.453 156.688 -161.915 156.688 -22.8262 GPRESSURE: 3527600 183.271 -80.3161 -49.4315 -145.518 49.4371 144.536 -155.896 145.156 97.4409 PRESSAVG: 3527600 -24.1439 13.1014 26.313 13.1015 16.4669 6.74633 26.313 6.74635 1.18892 GPRESSAVG: 3527600 -23.4966 12.7475 26.9985 14.201 14.0077 4.78056 24.7912 7.63681 2.82234 TIMING: 3527600 CPU: 11213.3, 0.00316211/step Wall: 11213.3, 0.00316211/step, 1.2933 hours remaining, 242.218750 MB of memory in use. ENERGY: 3527600 3976.2995 20698.5047 14454.6557 235.3102 -203651.5171 2278.1172 0.0000 0.0000 51968.8461 -110039.7838 298.6657 -162008.6298 -109684.3724 299.3330 85.8978 110.0498 760193.0676 -2.1627 -2.2222 PRESSURE: 3527800 -293.908 -106.763 134.586 -106.762 -160.89 19.9735 134.586 19.9737 -396.769 GPRESSURE: 3527800 -298.942 -61.053 146.131 18.5497 -155.068 -22.2617 206.104 -10.2044 -292.826 PRESSAVG: 3527800 -26.266 19.51 19.3052 19.51 5.27466 -24.9758 19.3052 -24.9758 -8.44423 GPRESSAVG: 3527800 -27.789 20.631 19.2124 18.7031 6.93739 -23.1776 19.993 -26.1773 -8.36591 TIMING: 3527800 CPU: 11213.9, 0.00315817/step Wall: 11213.9, 0.00315817/step, 1.29152 hours remaining, 242.218750 MB of memory in use. ENERGY: 3527800 4011.2342 20478.1060 14409.5745 245.1259 -203545.2066 2399.0377 0.0000 0.0000 51974.0044 -110028.1239 298.6953 -162002.1283 -109657.2834 298.0982 -283.8556 -248.9455 759068.9655 -9.8118 -9.7392 PRESSURE: 3528000 -309.305 -140.383 -54.7253 -140.382 -89.5584 62.2719 -54.7262 62.2712 73.3345 GPRESSURE: 3528000 -215.284 -44.5299 -43.4411 -75.5786 -29.4625 90.722 -100.034 111.307 9.62433 PRESSAVG: 3528000 -0.113119 13.088 6.10454 13.088 -15.5438 7.36511 6.10443 7.36519 -3.69092 GPRESSAVG: 3528000 1.32754 13.575 6.26699 11.6086 -15.2887 6.16746 6.18351 8.98414 -5.71613 TIMING: 3528000 CPU: 11214.5, 0.00315369/step Wall: 11214.5, 0.00315369/step, 1.28951 hours remaining, 242.218750 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: 3528000 4004.9633 20541.6667 14404.6998 240.9417 -203595.8336 2265.0735 0.0000 0.0000 51900.5990 -110237.8896 298.2735 -162138.4886 -109865.3022 298.3110 -108.5095 -78.3741 759325.3197 -6.4493 -6.5591 PRESSURE: 3528200 -198.628 149.352 -18.2988 149.351 -202.097 -138.887 -18.2995 -138.888 -38.9062 GPRESSURE: 3528200 -245.571 19.5706 17.5582 198.054 -145.787 -73.7169 -50.6643 -251.379 40.4152 PRESSAVG: 3528200 -11.0676 5.99085 15.5025 5.99071 47.1984 -2.26993 15.5024 -2.26989 19.1663 GPRESSAVG: 3528200 -11.2347 4.50879 15.2213 7.53585 46.8623 -2.38708 16.2654 -2.55865 20.041 TIMING: 3528200 CPU: 11215.2, 0.00314187/step Wall: 11215.2, 0.00314187/step, 1.2845 hours remaining, 242.218750 MB of memory in use. ENERGY: 3528200 3992.1615 20417.9101 14432.1606 270.4240 -203589.7119 2325.2365 0.0000 0.0000 52032.4615 -110119.3577 299.0313 -162151.8191 -109762.0019 298.1252 -146.5439 -116.9810 759932.4606 18.4324 18.5562 LDB: ============= START OF LOAD BALANCING ============== 11227.6 LDB: ============== END OF LOAD BALANCING =============== 11227.6 LDB: =============== DONE WITH MIGRATION ================ 11227.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 11227.9 LDB: Largest compute 7048 load 0.034275 is 17.5% of average load 0.195423 LDB: Average compute 0.004385 is 2.2% of average load 0.195423 LDB: TIME 11227.9 LOAD: AVG 0.195423 MAX 0.213609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.895 MB LDB: TIME 11227.9 LOAD: AVG 0.195423 MAX 0.213609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.934 MB LDB: TIME 11227.9 LOAD: AVG 0.195423 MAX 0.213609 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.934 MB LDB: ============== END OF LOAD BALANCING =============== 11227.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11227.9 PRESSURE: 3528400 6.6856 -68.8522 185.686 -68.8519 13.5679 -177.708 185.686 -177.707 -110.725 GPRESSURE: 3528400 -1.99894 -94.0215 147.755 -105.593 66.5937 -109.463 323.236 -286.522 -45.6603 PRESSAVG: 3528400 -24.4368 12.6242 34.8413 12.6241 -22.8759 26.26 34.8414 26.26 19.2491 GPRESSAVG: 3528400 -25.5071 12.5464 36.4888 11.4536 -22.7083 25.6277 33.6386 26.7043 19.6894 TIMING: 3528400 CPU: 11215.8, 0.00321964/step Wall: 11215.8, 0.00321964/step, 1.31612 hours remaining, 240.039062 MB of memory in use. ENERGY: 3528400 4010.2683 20480.2210 14451.6725 243.7350 -203633.5255 2554.8372 0.0000 0.0000 51780.6930 -110112.0984 297.5844 -161892.7914 -109754.7614 297.9591 -30.1571 6.3115 759200.3847 -9.3545 -9.5086 PRESSURE: 3528600 -251.61 135.01 188.571 135.009 -344.195 24.8712 188.571 24.8726 -471.727 GPRESSURE: 3528600 -248.912 89.596 222.765 166.263 -325.536 -16.0255 290.357 -90.8363 -382.354 PRESSAVG: 3528600 -71.0569 -7.04816 48.484 -7.04817 39.0591 -5.40264 48.484 -5.40265 -16.5136 GPRESSAVG: 3528600 -69.1837 -6.42119 47.1433 -7.08456 37.9821 -4.28391 50.8005 -7.15809 -16.5624 TIMING: 3528600 CPU: 11216.4, 0.00316287/step Wall: 11216.4, 0.00316287/step, 1.29273 hours remaining, 240.039062 MB of memory in use. ENERGY: 3528600 3979.7662 20553.5676 14434.6239 249.3711 -203198.8882 2258.8558 0.0000 0.0000 51497.5326 -110225.1710 295.9570 -161722.7036 -109877.7589 297.8000 -355.8438 -318.9340 761180.9991 -16.1705 -15.9213 PRESSURE: 3528800 376.777 227.823 237.244 227.824 -203.707 -351.17 237.244 -351.171 -92.7467 GPRESSURE: 3528800 311.564 228.207 188.088 160.695 -154.88 -363.847 158.346 -235.061 8.05541 PRESSAVG: 3528800 -21.8699 -13.2966 -18.676 -13.2965 10.2942 -21.9956 -18.6759 -21.9956 -17.1018 GPRESSAVG: 3528800 -23.6201 -12.1796 -20.898 -12.032 10.8099 -21.1458 -19.0996 -19.7022 -15.7825 TIMING: 3528800 CPU: 11217.1, 0.0031788/step Wall: 11217.1, 0.0031788/step, 1.29907 hours remaining, 240.039062 MB of memory in use. ENERGY: 3528800 3979.6420 20352.0516 14425.9842 248.5888 -203411.6956 2302.3409 0.0000 0.0000 52097.8429 -110005.2452 299.4070 -162103.0881 -109635.7088 298.2359 26.7744 54.9129 759710.6915 -9.5592 -9.5309 PRESSURE: 3529000 159.323 -100.758 -74.0521 -100.758 192.884 389.174 -74.0528 389.174 -58.6767 GPRESSURE: 3529000 247.949 -181.531 -27.7636 -125.683 126.018 495.814 -47.1224 397.29 13.4164 PRESSAVG: 3529000 -3.70465 30.6941 32.2536 30.6941 -2.11752 17.7837 32.2536 17.7837 31.8768 GPRESSAVG: 3529000 -3.09088 28.3219 33.973 31.1727 -0.165732 16.5193 32.7195 18.7937 29.4976 TIMING: 3529000 CPU: 11217.7, 0.00316026/step Wall: 11217.7, 0.00316026/step, 1.29132 hours remaining, 240.039062 MB of memory in use. ENERGY: 3529000 4034.5875 20409.9996 14401.5759 280.8425 -203941.3363 2869.0378 0.0000 0.0000 51782.4975 -110162.7956 297.5947 -161945.2931 -109812.5469 298.1377 97.8434 129.1278 760651.6058 8.6849 8.7470 PRESSURE: 3529200 -191.184 -25.9335 -193.547 -25.9337 -368.376 79.1066 -193.546 79.1065 -55.5306 GPRESSURE: 3529200 -102.106 -66.4629 -193.026 32.6104 -376.462 109.878 -226.796 39.4939 -64.9275 PRESSAVG: 3529200 -21.9093 4.17942 16.2116 4.17948 8.04664 30.8509 16.2116 30.8508 -3.27352 GPRESSAVG: 3529200 -22.6112 5.18436 16.8073 3.68357 6.63914 32.4653 14.5224 26.779 -1.57429 TIMING: 3529200 CPU: 11218.3, 0.0031369/step Wall: 11218.3, 0.0031369/step, 1.2816 hours remaining, 240.039062 MB of memory in use. ENERGY: 3529200 3934.0347 20592.6588 14488.5029 244.1670 -203575.5409 2268.4608 0.0000 0.0000 51919.7783 -110127.9384 298.3837 -162047.7167 -109766.1500 297.6673 -205.0303 -181.1653 762081.1022 -5.7121 -5.8488 PRESSURE: 3529400 -264.873 -66.9255 -27.4922 -66.9257 76.4029 -143.429 -27.4916 -143.43 82.2868 GPRESSURE: 3529400 -175.633 -33.8233 -38.6456 -56.4211 34.563 -178.328 122.03 -66.2501 107.658 PRESSAVG: 3529400 14.6758 23.8896 -32.095 23.8896 28.8265 -27.393 -32.0951 -27.3931 0.472246 GPRESSAVG: 3529400 15.7146 25.1111 -32.753 24.6882 28.5728 -28.2814 -32.4507 -22.9798 -0.566364 TIMING: 3529400 CPU: 11219, 0.00312683/step Wall: 11219, 0.00312683/step, 1.27731 hours remaining, 240.039062 MB of memory in use. ENERGY: 3529400 3957.8559 20515.7313 14422.0387 252.3279 -203504.7672 2429.0733 0.0000 0.0000 52082.3526 -109845.3874 299.3180 -161927.7400 -109477.7938 298.5282 -35.3943 -11.1373 759748.2461 14.6582 14.5737 PRESSURE: 3529600 -469.879 61.303 212.524 61.3029 -52.9581 284.044 212.523 284.044 108.837 GPRESSURE: 3529600 -375.839 44.1393 170.514 150.774 -60.8905 199.171 188.837 279.111 116.345 PRESSAVG: 3529600 -2.08511 0.907624 25.5803 0.907575 47.8298 12.8453 25.5803 12.8453 -11.1636 GPRESSAVG: 3529600 -0.775753 0.171729 26.0941 -0.385265 47.1604 12.2886 24.3853 12.3878 -11.3221 TIMING: 3529600 CPU: 11219.6, 0.0031401/step Wall: 11219.6, 0.0031401/step, 1.28255 hours remaining, 240.039062 MB of memory in use. ENERGY: 3529600 4034.9387 20606.8647 14404.6521 244.8851 -203361.6350 2275.4324 0.0000 0.0000 51947.7293 -109847.1326 298.5443 -161794.8619 -109473.6140 298.5644 -138.0001 -106.7950 760012.9275 11.5270 11.6875 PRESSURE: 3529800 171.665 118.105 -290.661 118.105 184.718 2.64785 -290.662 2.64772 13.7903 GPRESSURE: 3529800 167.065 200.342 -276.396 217.785 242.208 4.82295 -132.928 -125.054 58.8201 PRESSAVG: 3529800 -48.443 9.80621 23.0874 9.80623 74.5325 -42.3444 23.0874 -42.3444 -7.8483 GPRESSAVG: 3529800 -49.0749 8.44626 23.3425 11.4506 73.7809 -42.015 24.6026 -43.8412 -6.36608 TIMING: 3529800 CPU: 11220.2, 0.00314186/step Wall: 11220.2, 0.00314186/step, 1.2831 hours remaining, 240.039062 MB of memory in use. ENERGY: 3529800 3926.5215 20635.0723 14424.8019 263.7472 -203155.0598 2344.9424 0.0000 0.0000 51799.8557 -109760.1188 297.6945 -161559.9745 -109400.3380 298.6685 123.3909 156.0309 760096.6867 6.0804 6.1133 PRESSURE: 3530000 56.2824 -264.779 -35.175 -264.778 30.2044 -69.2071 -35.175 -69.2064 41.2262 GPRESSURE: 3530000 96.6081 -117.069 -67.6759 -59.6614 76.3993 -56.8993 -58.1986 -135.795 41.853 PRESSAVG: 3530000 7.42903 8.4483 -28.3457 8.4483 -47.3103 -12.2273 -28.3457 -12.2272 -4.28664 GPRESSAVG: 3530000 6.65477 11.0366 -27.6709 6.52753 -44.7582 -10.232 -28.5492 -13.4791 -6.36315 TIMING: 3530000 CPU: 11220.8, 0.00314979/step Wall: 11220.8, 0.00314979/step, 1.28616 hours remaining, 240.039062 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: 3530000 3947.9495 20402.1456 14432.8244 247.1380 -203296.7574 2394.3934 0.0000 0.0000 52228.8797 -109643.4267 300.1601 -161872.3064 -109273.1598 298.5722 42.5710 71.6201 758761.4481 -14.7226 -14.8222 PRESSURE: 3530200 -148.053 -77.5577 -118.955 -77.5579 -111.675 30.4104 -118.954 30.4098 286.65 GPRESSURE: 3530200 -59.2934 -32.4398 -98.1967 -56.6491 -104.984 -30.9253 -106.135 81.7931 279.561 PRESSAVG: 3530200 5.7289 -42.1058 10.3484 -42.1058 26.478 -18.2174 10.3484 -18.2174 -12.3442 GPRESSAVG: 3530200 5.63406 -41.9025 9.11081 -44.2539 25.058 -21.4664 10.5925 -17.2319 -10.9605 TIMING: 3530200 CPU: 11221.5, 0.00313369/step Wall: 11221.5, 0.00313369/step, 1.27942 hours remaining, 240.039062 MB of memory in use. ENERGY: 3530200 3922.4260 20419.4310 14474.0691 243.8193 -203503.2820 2527.8695 0.0000 0.0000 52186.7566 -109728.9105 299.9180 -161915.6671 -109365.0805 299.6471 8.9738 38.4277 759871.6972 6.6209 6.5772 PRESSURE: 3530400 -169.362 187.875 -102.028 187.874 38.0331 -208.51 -102.028 -208.509 368.579 GPRESSURE: 3530400 -50.1037 44.7864 -60.8726 121.378 67.8916 -275.603 -74.8484 -225.358 297.404 PRESSAVG: 3530400 81.7567 15.3689 -34.3885 15.369 -27.8642 -35.6817 -34.3886 -35.6818 7.15756 GPRESSAVG: 3530400 83.1618 12.7065 -34.7456 18.5279 -29.2781 -34.2978 -34.5546 -35.1586 6.86401 TIMING: 3530400 CPU: 11222.1, 0.00313524/step Wall: 11222.1, 0.00313524/step, 1.27987 hours remaining, 240.039062 MB of memory in use. ENERGY: 3530400 3953.6893 20445.6330 14494.0290 238.1065 -203237.8997 2359.4073 0.0000 0.0000 51937.5477 -109809.4869 298.4858 -161747.0346 -109448.1447 299.0250 79.0834 105.0640 761091.0007 20.3500 20.2492 PRESSURE: 3530600 257.686 -98.3839 195.52 -98.3843 194.318 37.3768 195.52 37.3771 -255.215 GPRESSURE: 3530600 293.715 -11.1625 172.098 -77.1306 239.697 82.7217 244.631 35.1496 -246.162 PRESSAVG: 3530600 -10.5974 -6.82911 -45.517 -6.82914 -37.2335 -36.1077 -45.517 -36.1077 10.3799 GPRESSAVG: 3530600 -10.9016 -5.75215 -44.4152 -7.91128 -36.5608 -34.2396 -45.5571 -36.6743 10.1667 TIMING: 3530600 CPU: 11222.7, 0.00313699/step Wall: 11222.7, 0.00313699/step, 1.28041 hours remaining, 240.039062 MB of memory in use. ENERGY: 3530600 3941.7458 20625.5196 14510.8958 240.1120 -203532.5600 2533.3350 0.0000 0.0000 51940.4821 -109740.4697 298.5027 -161680.9517 -109391.0895 299.0105 65.5962 95.7499 759356.8784 -12.4837 -12.4319 PRESSURE: 3530800 -8.16927 27.8823 -129.921 27.8812 106.762 -11.0558 -129.922 -11.0554 -334.995 GPRESSURE: 3530800 24.7375 88.3618 -218.9 77.2014 115.925 17.7656 -68.6901 -62.911 -283.144 PRESSAVG: 3530800 38.715 44.9341 1.78889 44.9341 -4.64124 -40.1639 1.78885 -40.1639 2.62807 GPRESSAVG: 3530800 37.6035 44.9842 1.17436 45.2574 -3.57623 -40.9101 0.991831 -41.1786 3.04355 TIMING: 3530800 CPU: 11223.4, 0.00315713/step Wall: 11223.4, 0.00315713/step, 1.28846 hours remaining, 240.039062 MB of memory in use. ENERGY: 3530800 4036.8389 20426.9807 14476.1906 229.1392 -203506.2744 2560.1324 0.0000 0.0000 52146.0344 -109630.9581 299.6840 -161776.9925 -109267.7007 299.2891 -78.8007 -47.4939 761770.0628 12.2340 12.3569 PRESSURE: 3531000 168.333 200.908 -139.094 200.908 -53.8279 -78.9441 -139.094 -78.9444 542.775 GPRESSURE: 3531000 140.723 155.417 -187.294 219.071 48.8297 21.5249 -169.519 -18.9078 549.284 PRESSAVG: 3531000 0.909161 6.36715 -35.3883 6.36714 -38.7625 -45.6426 -35.3883 -45.6425 -8.83823 GPRESSAVG: 3531000 0.512586 4.59316 -35.5585 5.03212 -38.7571 -46.6086 -35.0175 -43.4001 -8.69961 TIMING: 3531000 CPU: 11224, 0.00315372/step Wall: 11224, 0.00315372/step, 1.28689 hours remaining, 240.039062 MB of memory in use. ENERGY: 3531000 4018.4721 20640.7272 14468.2893 231.1654 -204163.4398 2812.9202 0.0000 0.0000 52299.2569 -109692.6085 300.5645 -161991.8654 -109328.6653 299.1151 219.0936 246.2788 758817.7617 -15.5639 -15.6480 PRESSURE: 3531200 192.668 -135.155 185.677 -135.157 -10.5748 -271.254 185.677 -271.253 71.1535 GPRESSURE: 3531200 257.023 -69.2432 321.739 -190.291 32.4018 -248.567 33.3141 -191.877 56.7687 PRESSAVG: 3531200 20.9937 -9.4343 -3.57601 -9.43426 -15.5804 -14.2142 -3.57599 -14.2143 12.7293 GPRESSAVG: 3531200 20.9051 -8.09139 -3.1955 -7.97519 -14.9279 -14.9117 -4.50333 -13.8041 12.3362 TIMING: 3531200 CPU: 11224.6, 0.00315698/step Wall: 11224.6, 0.00315698/step, 1.28805 hours remaining, 240.039062 MB of memory in use. ENERGY: 3531200 4046.1725 20569.0210 14441.8517 247.4375 -203412.0118 2606.0933 0.0000 0.0000 51848.9777 -109652.4580 297.9768 -161501.4357 -109292.6677 299.0897 84.4157 115.3979 759881.5963 6.0475 6.1045 PRESSURE: 3531400 222.829 20.1311 122.316 20.1308 390.259 160.01 122.316 160.009 -23.0622 GPRESSURE: 3531400 210.98 -80.5547 142.554 5.62002 448.419 185.579 91.7718 -46.3386 42.9806 PRESSAVG: 3531400 -28.164 28.7768 13.7413 28.7767 63.8247 -12.8937 13.7414 -12.8936 10.8688 GPRESSAVG: 3531400 -27.1729 28.125 13.92 27.8141 61.6662 -11.9705 13.8567 -14.9297 12.5273 TIMING: 3531400 CPU: 11225.2, 0.00313843/step Wall: 11225.2, 0.00313843/step, 1.2803 hours remaining, 240.039062 MB of memory in use. ENERGY: 3531400 3988.4716 20656.9114 14400.0273 278.0970 -203344.4201 2372.8070 0.0000 0.0000 51960.2580 -109687.8478 298.6163 -161648.1058 -109331.5051 298.8312 196.6753 234.1268 758895.7480 15.5098 15.6735 PRESSURE: 3531600 -479.218 87.2593 -186.481 87.2598 -276.553 199.953 -186.481 199.953 129.218 GPRESSURE: 3531600 -364.483 83.7465 -153.037 18.1601 -229.205 343.13 -217.894 110.949 60.5706 PRESSAVG: 3531600 -21.9851 -68.8821 -57.9235 -68.8821 3.41523 31.127 -57.9234 31.127 -12.3301 GPRESSAVG: 3531600 -22.1967 -67.9821 -58.491 -68.8439 4.78072 31.0135 -57.3219 31.3481 -12.9959 TIMING: 3531600 CPU: 11225.9, 0.00314941/step Wall: 11225.9, 0.00314941/step, 1.28461 hours remaining, 240.039062 MB of memory in use. ENERGY: 3531600 4052.0145 20479.1050 14515.2871 245.4740 -203373.8457 2335.1932 0.0000 0.0000 51926.3110 -109820.4609 298.4212 -161746.7720 -109461.1916 298.7213 -208.8511 -177.7057 761442.4539 -10.3000 -10.1373 PRESSURE: 3531800 -309.771 213.566 226.515 213.566 -226.235 -100.638 226.515 -100.637 -512.736 GPRESSURE: 3531800 -213.335 206.386 150.035 200.265 -245.161 -20.301 247.445 -88.7721 -504.355 PRESSAVG: 3531800 54.2352 -20.9932 -28.7476 -20.9932 -42.1333 -39.7294 -28.7476 -39.7293 -9.31948 GPRESSAVG: 3531800 55.806 -21.1532 -28.6264 -21.7468 -44.8893 -39.8122 -27.9238 -39.4283 -8.64907 TIMING: 3531800 CPU: 11226.5, 0.00314033/step Wall: 11226.5, 0.00314033/step, 1.28073 hours remaining, 240.039062 MB of memory in use. ENERGY: 3531800 4030.7032 20345.6990 14405.4364 242.8988 -203224.4307 2280.5359 0.0000 0.0000 51890.6931 -110028.4643 298.2165 -161919.1574 -109671.8166 298.6866 -349.5805 -320.9504 762234.3128 0.9275 0.7558 PRESSURE: 3532000 156.283 172.304 -266.838 172.303 439.209 118.644 -266.838 118.645 334.326 GPRESSURE: 3532000 107.511 126.143 -207.993 230.409 514.579 89.7467 -81.2569 154.125 392.639 PRESSAVG: 3532000 29.732 28.2298 19.3791 28.2298 -3.00784 4.21028 19.3791 4.21023 12.854 GPRESSAVG: 3532000 27.9564 28.7391 20.3957 28.3852 -1.52042 3.52272 20.1573 5.84323 13.1008 TIMING: 3532000 CPU: 11227.1, 0.00313572/step Wall: 11227.1, 0.00313572/step, 1.27868 hours remaining, 240.039062 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: 3532000 3988.8670 20515.6576 14516.1032 243.1627 -204115.4542 2906.8425 0.0000 0.0000 51916.2407 -110028.5805 298.3633 -161944.8212 -109679.6120 298.3310 309.9396 338.2430 761006.4797 13.1927 13.1789 PRESSURE: 3532200 -420.973 -2.24973 134.678 -2.2502 -59.6129 -19.9804 134.679 -19.9809 189.232 GPRESSURE: 3532200 -336.594 88.0872 206.31 -3.37399 -77.4049 76.0092 169.268 -15.7871 197.442 PRESSAVG: 3532200 7.9261 7.17566 49.3326 7.17567 7.35821 -38.9314 49.3326 -38.9313 7.83033 GPRESSAVG: 3532200 8.66172 7.26206 48.2791 7.38054 7.95927 -40.0193 49.5003 -37.7777 6.86001 TIMING: 3532200 CPU: 11227.8, 0.00313898/step Wall: 11227.8, 0.00313898/step, 1.27983 hours remaining, 240.039062 MB of memory in use. ENERGY: 3532200 3887.3982 20455.4644 14536.1302 255.2081 -203656.7007 2603.6380 0.0000 0.0000 51911.3464 -110007.5154 298.3352 -161918.8618 -109643.8043 297.9508 -97.1177 -72.1854 760741.6773 7.7049 7.8270 LDB: ============= START OF LOAD BALANCING ============== 11240.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11240.2 LDB: =============== DONE WITH MIGRATION ================ 11240.2 LDB: ============= START OF LOAD BALANCING ============== 11240.5 LDB: Largest compute 7048 load 0.033825 is 17.3% of average load 0.195359 LDB: Average compute 0.004400 is 2.3% of average load 0.195359 LDB: TIME 11240.5 LOAD: AVG 0.195359 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 11240.5 LOAD: AVG 0.195359 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 11240.5 LOAD: AVG 0.195359 MAX 0.21321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 11240.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11240.5 PRESSURE: 3532400 -322.778 -156.798 -165.571 -156.798 -321.032 182.259 -165.57 182.259 -371.435 GPRESSURE: 3532400 -245.145 -103.872 -105.933 -176.26 -300.651 178.986 -164.475 277.443 -381.183 PRESSAVG: 3532400 -25.5814 -30.9178 24.1245 -30.9178 28.5418 -25.8078 24.1245 -25.8077 12.9115 GPRESSAVG: 3532400 -25.2104 -32.7733 24.891 -31.4782 28.7056 -26.7396 21.7133 -26.7608 12.9772 TIMING: 3532400 CPU: 11228.4, 0.00320425/step Wall: 11228.4, 0.00320425/step, 1.30627 hours remaining, 241.574219 MB of memory in use. ENERGY: 3532400 3905.9607 20580.6003 14484.9361 246.1753 -203926.1890 2611.2588 0.0000 0.0000 52003.8577 -110093.4000 298.8669 -162097.2577 -109729.6075 298.2566 -338.4150 -308.9931 758898.1219 5.2906 5.4908 PRESSURE: 3532600 -344.475 -84.1099 -163.355 -84.1099 -72.5893 90.5354 -163.356 90.5347 -95.9886 GPRESSURE: 3532600 -209.16 -88.4429 -176.302 -71.4711 -99.5196 151.201 -122.181 -51.2217 -107.016 PRESSAVG: 3532600 16.4478 -24.7617 -50.4294 -24.7618 -33.5818 -7.70418 -50.4294 -7.70423 -3.88129 GPRESSAVG: 3532600 15.4182 -23.6829 -50.6314 -25.2686 -32.9215 -4.85321 -48.8939 -7.82398 -3.25573 TIMING: 3532600 CPU: 11229, 0.0031612/step Wall: 11229, 0.0031612/step, 1.28854 hours remaining, 241.777344 MB of memory in use. ENERGY: 3532600 4003.7560 20576.6760 14461.8644 239.2821 -203913.2613 2580.6212 0.0000 0.0000 51906.2877 -110144.7740 298.3061 -162051.0616 -109782.5304 298.2933 -171.0175 -138.5650 760339.6839 -7.0051 -6.9197 PRESSURE: 3532800 343.341 92.1253 131.707 92.1259 493.296 -57.246 131.707 -57.2473 26.0526 GPRESSURE: 3532800 381.677 96.5798 55.63 131.464 486.478 -86.15 190.168 -81.5782 100.417 PRESSAVG: 3532800 37.072 3.38592 -20.7375 3.38598 -73.5342 -36.5439 -20.7375 -36.5439 -6.86037 GPRESSAVG: 3532800 38.3361 3.80021 -19.8004 4.79239 -73.2244 -38.0324 -21.4795 -35.2366 -8.4529 TIMING: 3532800 CPU: 11229.7, 0.00313618/step Wall: 11229.7, 0.00313618/step, 1.27817 hours remaining, 241.777344 MB of memory in use. ENERGY: 3532800 3910.1916 20429.4289 14483.6017 259.9885 -203948.2104 2850.0724 0.0000 0.0000 51983.3126 -110031.6147 298.7488 -162014.9274 -109667.6340 298.4890 287.5633 322.8570 757862.1988 -14.4409 -14.4471 PRESSURE: 3533000 39.4482 -292.556 181.385 -292.556 -54.3003 122.268 181.384 122.268 -314.103 GPRESSURE: 3533000 6.55335 -250.217 218.035 -227.966 51.9437 133.872 207.632 111.439 -301.523 PRESSAVG: 3533000 -43.5767 -3.2158 16.6258 -3.21582 7.1303 -7.53829 16.6258 -7.53823 4.29202 GPRESSAVG: 3533000 -43.6902 -4.05475 15.3333 -1.22548 7.1481 -7.80995 19.7068 -9.62822 4.45891 TIMING: 3533000 CPU: 11230.3, 0.00312763/step Wall: 11230.3, 0.00312763/step, 1.27451 hours remaining, 241.777344 MB of memory in use. ENERGY: 3533000 3925.3820 20579.7306 14527.2340 245.0071 -203397.4346 2194.1248 0.0000 0.0000 51992.0304 -109933.9256 298.7989 -161925.9560 -109579.8454 298.7212 -109.6518 -81.0087 761844.8999 -10.7181 -10.6944 PRESSURE: 3533200 -95.5431 225.828 17.5541 225.829 -115.507 89.4112 17.5549 89.4111 -390.005 GPRESSURE: 3533200 -8.02196 240.274 29.7893 182.17 -175.997 107.207 17.8716 179.49 -333.785 PRESSAVG: 3533200 -65.5676 31.2564 -2.09794 31.2564 3.12066 -25.0404 -2.098 -25.0404 -7.19614 GPRESSAVG: 3533200 -65.6026 30.5948 -2.87465 29.6771 2.58143 -23.8527 -3.48405 -24.7439 -6.66226 TIMING: 3533200 CPU: 11230.9, 0.00312238/step Wall: 11230.9, 0.00312238/step, 1.27219 hours remaining, 241.777344 MB of memory in use. ENERGY: 3533200 4012.6402 20306.4997 14556.4084 237.0456 -203232.9623 2406.0960 0.0000 0.0000 51679.1985 -110035.0739 297.0011 -161714.2724 -109675.6934 298.4329 -200.3518 -172.6013 760629.9703 -23.2143 -23.2278 PRESSURE: 3533400 -58.5861 -48.8855 -36.7994 -48.8857 -39.9716 156.237 -36.7995 156.235 -469.501 GPRESSURE: 3533400 -24.7055 -51.0826 -93.8028 -34.6425 7.20366 173.783 -36.4259 63.5534 -455.475 PRESSAVG: 3533400 -26.8381 -3.59554 20.8239 -3.59554 70.9635 -22.2557 20.824 -22.2556 33.499 GPRESSAVG: 3533400 -26.7981 -0.700515 23.2084 -5.157 70.8295 -23.3003 20.1728 -22.1185 34.1319 TIMING: 3533400 CPU: 11231.5, 0.00313205/step Wall: 11231.5, 0.00313205/step, 1.27596 hours remaining, 241.777344 MB of memory in use. ENERGY: 3533400 3918.7553 20462.9486 14459.8031 257.6942 -202881.4070 1986.4536 0.0000 0.0000 51744.8822 -110050.8700 297.3785 -161795.7523 -109692.9562 298.0133 -189.3529 -157.6589 760367.5304 25.8748 26.0544 PRESSURE: 3533600 49.1922 82.7352 -25.6552 82.7351 314.624 -183.08 -25.6549 -183.081 477.893 GPRESSURE: 3533600 153.386 64.0232 -62.9443 130.183 345.694 -178.618 61.5006 -191.039 441.704 PRESSAVG: 3533600 -18.9201 27.0371 14.6465 27.0371 46.4114 12.7 14.6465 12.7 -18.3471 GPRESSAVG: 3533600 -18.1499 23.9488 13.6966 26.4021 45.8372 15.022 13.8385 12.562 -18.322 TIMING: 3533600 CPU: 11232.2, 0.00312888/step Wall: 11232.2, 0.00312888/step, 1.2745 hours remaining, 241.777344 MB of memory in use. ENERGY: 3533600 3863.3737 20552.3342 14337.2968 254.8182 -204006.0788 2723.2314 0.0000 0.0000 52077.9458 -110197.0787 299.2927 -162275.0245 -109840.3045 298.5662 280.5697 313.5945 757740.2135 3.0481 3.1218 PRESSURE: 3533800 -67.364 -32.0278 15.3176 -32.0283 39.6082 197.717 15.3173 197.718 8.45234 GPRESSURE: 3533800 -11.4828 -85.6118 64.4801 33.742 60.5667 196.437 123.144 98.4874 50.238 PRESSAVG: 3533800 -54.3752 -5.90788 -9.68741 -5.90794 67.5906 19.443 -9.68742 19.443 7.04276 GPRESSAVG: 3533800 -54.935 -2.96379 -10.8159 -4.60253 68.6451 19.7283 -9.21404 18.2312 6.79697 TIMING: 3533800 CPU: 11232.8, 0.00313725/step Wall: 11232.8, 0.00313725/step, 1.27773 hours remaining, 241.777344 MB of memory in use. ENERGY: 3533800 3966.7056 20329.2067 14427.4869 255.0018 -203837.9823 2592.0165 0.0000 0.0000 52222.3959 -110045.1689 300.1228 -162267.5648 -109672.4465 298.1479 -6.4345 33.1073 758320.6283 6.7527 6.8357 PRESSURE: 3534000 78.0093 75.4923 9.87012 75.4921 7.43687 166.345 9.87049 166.346 -148.425 GPRESSURE: 3534000 123.476 -65.8743 36.978 63.1566 70.2465 150.784 6.82041 87.9501 -148.704 PRESSAVG: 3534000 -9.15272 -28.9806 55.8099 -28.9806 65.483 10.6264 55.8098 10.6264 -9.16011 GPRESSAVG: 3534000 -8.05181 -30.3752 56.9117 -28.2183 64.8819 8.44957 55.9779 12.2169 -9.80683 TIMING: 3534000 CPU: 11233.4, 0.00311549/step Wall: 11233.4, 0.00311549/step, 1.2687 hours remaining, 241.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 3917.0029 20523.0170 14479.6816 248.1083 -203486.9102 2411.8200 0.0000 0.0000 52002.1891 -109905.0913 298.8573 -161907.2804 -109548.0708 298.6821 -20.9929 15.0064 758285.1473 15.7234 15.6744 PRESSURE: 3534200 -322.802 -2.09697 -219.399 -2.09695 -367.605 -7.05999 -219.399 -7.06021 206.762 GPRESSURE: 3534200 -252.341 -57.3596 -194.089 -16.5268 -324.486 -35.1025 -205.3 -90.1299 179.61 PRESSAVG: 3534200 -10.7561 -25.8033 -10.5939 -25.8033 -19.0478 25.084 -10.5939 25.0841 4.61722 GPRESSAVG: 3534200 -11.0313 -24.755 -9.94603 -27.5212 -19.9229 27.0102 -11.1528 23.094 5.3475 TIMING: 3534200 CPU: 11234, 0.00314244/step Wall: 11234, 0.00314244/step, 1.2795 hours remaining, 241.777344 MB of memory in use. ENERGY: 3534200 4018.0428 20490.1007 14491.8681 242.4351 -203729.6713 2373.4596 0.0000 0.0000 52185.3350 -109928.4300 299.9098 -162113.7649 -109559.5320 298.6404 -161.2150 -132.4060 759434.9634 -8.3956 -8.5356 PRESSURE: 3534400 -87.2363 -44.1119 -1.51461 -44.1118 -94.7721 -12.584 -1.51478 -12.5849 88.9478 GPRESSURE: 3534400 -112.041 24.2019 45.0134 -64.7649 -30.8091 3.17925 -50.6832 -81.0691 131.117 PRESSAVG: 3534400 -55.9843 28.6003 -18.6219 28.6003 44.2724 39.3504 -18.6219 39.3506 17.1437 GPRESSAVG: 3534400 -57.2779 29.4736 -18.1602 27.6996 44.4263 37.4276 -18.0973 42.3186 17.5778 TIMING: 3534400 CPU: 11234.7, 0.00313894/step Wall: 11234.7, 0.00313894/step, 1.2779 hours remaining, 241.777344 MB of memory in use. ENERGY: 3534400 3905.8551 20582.8244 14523.2645 235.8669 -203584.8051 2323.8791 0.0000 0.0000 52066.0317 -109947.0834 299.2242 -162013.1151 -109596.3443 298.6805 -31.0202 -3.9111 760101.2117 1.8106 1.5754 PRESSURE: 3534600 -385.7 234.365 70.4796 234.365 69.5186 -23.816 70.4798 -23.8163 -47.8201 GPRESSURE: 3534600 -275.932 156.77 26.4741 282.951 91.921 -72.689 153.247 -53.9613 -73.3113 PRESSAVG: 3534600 21.2413 7.01437 35.2201 7.01434 -13.1865 -53.4019 35.2202 -53.4019 7.30381 GPRESSAVG: 3534600 21.9746 6.7833 34.8802 8.26104 -12.7263 -51.9268 35.1943 -56.6064 6.98696 TIMING: 3534600 CPU: 11235.3, 0.00314824/step Wall: 11235.3, 0.00314824/step, 1.28151 hours remaining, 241.777344 MB of memory in use. ENERGY: 3534600 4047.7084 20469.1723 14400.2086 251.7817 -203425.2714 2358.1622 0.0000 0.0000 51918.7237 -109979.5146 298.3776 -161898.2384 -109620.3199 298.9039 -121.3338 -85.7741 759953.4430 5.1196 5.4118 PRESSURE: 3534800 -143.761 -100.34 85.2222 -100.341 -85.2764 114.031 85.2209 114.031 -222.492 GPRESSURE: 3534800 -97.6973 -10.6264 125.97 -98.3015 -23.7156 82.4571 0.125018 122.264 -224.45 PRESSAVG: 3534800 -11.7601 -28.6954 -1.84101 -28.6954 53.708 -54.8369 -1.84102 -54.8368 6.79902 GPRESSAVG: 3534800 -11.807 -29.0586 -3.32607 -28.2686 54.0915 -56.0772 -2.31541 -52.6845 6.12632 TIMING: 3534800 CPU: 11235.9, 0.0031487/step Wall: 11235.9, 0.0031487/step, 1.28152 hours remaining, 241.777344 MB of memory in use. ENERGY: 3534800 4064.6012 20418.6861 14403.6322 242.7244 -204042.6694 2655.0226 0.0000 0.0000 52019.2589 -110238.7441 298.9554 -162258.0029 -109875.2810 298.9203 -150.5098 -115.2876 759054.9989 16.2490 16.1369 PRESSURE: 3535000 -194.655 -82.9035 113.78 -82.9035 86.7966 387.416 113.78 387.415 82.1618 GPRESSURE: 3535000 -83.5941 -139.454 60.9121 -67.7475 35.6913 451.856 91.3837 260.608 110.928 PRESSAVG: 3535000 -33.3373 -29.4083 27.2437 -29.4082 -23.9497 -34.6816 27.2437 -34.6816 -9.38989 GPRESSAVG: 3535000 -33.4686 -29.7681 27.0203 -28.4333 -24.3081 -32.2228 29.1271 -35.8309 -9.43298 TIMING: 3535000 CPU: 11236.6, 0.00314771/step Wall: 11236.6, 0.0031477/step, 1.28094 hours remaining, 241.777344 MB of memory in use. ENERGY: 3535000 3950.8225 20581.2968 14413.1602 234.8377 -203597.3087 2212.1929 0.0000 0.0000 52041.6363 -110163.3623 299.0840 -162204.9985 -109793.4352 298.3739 -8.5656 21.0084 759592.5251 -22.2256 -22.4032 PRESSURE: 3535200 -78.0383 25.4518 -362.423 25.4527 -147.403 -14.7925 -362.423 -14.7927 -533.754 GPRESSURE: 3535200 -77.5792 159.572 -459.67 35.5503 -121.782 -38.5658 -258.202 -20.2332 -456.057 PRESSAVG: 3535200 28.0854 -30.875 15.2586 -30.8749 -26.3617 36.72 15.2587 36.7199 2.20716 GPRESSAVG: 3535200 28.3408 -28.8878 16.1863 -30.9399 -25.9738 35.113 16.1743 38.5632 1.67671 TIMING: 3535200 CPU: 11237.2, 0.00313531/step Wall: 11237.2, 0.00313531/step, 1.27572 hours remaining, 241.777344 MB of memory in use. ENERGY: 3535200 3992.8218 20472.2695 14498.6121 234.9872 -203670.3689 2365.9340 0.0000 0.0000 51871.5820 -110234.1623 298.1067 -162105.7442 -109859.5203 298.4472 -253.0651 -218.4727 759482.4100 1.3103 1.3479 PRESSURE: 3535400 56.6987 10.6415 -63.0955 10.6416 482.028 162.567 -63.0952 162.567 600.561 GPRESSURE: 3535400 215.787 -14.0631 -123.761 50.9815 471.458 181.532 54.6884 109.045 545.161 PRESSAVG: 3535400 21.1914 8.7597 1.76202 8.75979 -2.43782 27.7753 1.76201 27.7754 -8.74173 GPRESSAVG: 3535400 20.8124 7.66357 2.8343 10.2832 -2.08872 29.4789 -0.324364 26.483 -8.7492 TIMING: 3535400 CPU: 11237.8, 0.0031265/step Wall: 11237.8, 0.0031265/step, 1.27196 hours remaining, 241.777344 MB of memory in use. ENERGY: 3535400 3967.4633 20539.8609 14454.1488 244.7640 -204040.3630 2671.1324 0.0000 0.0000 51961.0033 -110201.9904 298.6206 -162162.9937 -109825.2273 298.3095 379.7626 410.8017 758699.9120 3.3373 3.3248 PRESSURE: 3535600 84.5827 19.7071 -65.6922 19.7077 -86.7113 120.529 -65.6911 120.529 -261.373 GPRESSURE: 3535600 146.959 56.4022 -105.628 42.4324 -118.259 155.037 -70.2905 129.503 -206.694 PRESSAVG: 3535600 27.4239 -1.92923 -41.4195 -1.92928 -10.274 -8.06743 -41.4194 -8.06746 -19.1997 GPRESSAVG: 3535600 27.1346 -1.99555 -41.788 -3.33076 -10.2716 -10.3079 -40.0313 -9.46637 -19.0764 TIMING: 3535600 CPU: 11238.4, 0.00312984/step Wall: 11238.4, 0.00312984/step, 1.27315 hours remaining, 241.777344 MB of memory in use. ENERGY: 3535600 3975.2384 20327.9127 14534.0285 241.2380 -203897.1721 2318.5058 0.0000 0.0000 52128.8453 -110371.4034 299.5852 -162500.2486 -109997.3502 298.3114 -87.8338 -59.3313 759782.0180 -0.6833 -0.7378 PRESSURE: 3535800 8.35109 29.1642 53.9616 29.1649 -56.0471 -91.3827 53.9613 -91.3827 -240.502 GPRESSURE: 3535800 -60.6899 -1.96773 49.5406 92.8023 20.0346 -111.715 79.7762 -7.60761 -162.899 PRESSAVG: 3535800 85.8522 20.2274 49.5032 20.2274 -92.1559 -40.6013 49.5031 -40.6013 13.6045 GPRESSAVG: 3535800 84.9444 18.726 50.0526 21.862 -90.9847 -39.7839 47.3509 -41.1176 12.8853 TIMING: 3535800 CPU: 11239.1, 0.003128/step Wall: 11239.1, 0.003128/step, 1.27223 hours remaining, 241.777344 MB of memory in use. ENERGY: 3535800 3975.4137 20542.0984 14465.5902 246.7971 -203803.5363 2147.6305 0.0000 0.0000 52119.9259 -110306.0806 299.5339 -162426.0065 -109947.0308 298.2260 -96.0660 -67.8514 757320.5045 2.4336 2.2817 PRESSURE: 3536000 -39.7088 68.0467 56.0876 68.0476 358.482 61.4012 56.0884 61.4009 -332.291 GPRESSURE: 3536000 70.7569 24.6824 8.25346 28.9316 303.947 39.6127 128.624 7.59463 -297.802 PRESSAVG: 3536000 13.9853 27.387 0.640799 27.387 -2.93171 -13.863 0.640841 -13.8629 4.46592 GPRESSAVG: 3536000 14.3369 27.1341 -1.13021 25.4477 -3.9389 -14.8237 3.30199 -12.266 4.66947 TIMING: 3536000 CPU: 11239.7, 0.00312905/step Wall: 11239.7, 0.00312905/step, 1.27248 hours remaining, 241.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 4017.6231 20421.4932 14527.2693 259.0601 -203649.5124 2209.5863 0.0000 0.0000 51853.2606 -110361.2198 298.0014 -162214.4804 -110002.2404 298.5140 -4.5059 25.6342 758553.4923 5.1732 5.0225 PRESSURE: 3536200 50.0579 -204.185 53.6131 -204.185 62.3762 16.4296 53.6128 16.4303 159.306 GPRESSURE: 3536200 -11.084 -130.237 72.776 -119.318 141.568 40.5955 -100.53 38.2978 210.761 PRESSAVG: 3536200 -9.28363 -12.0715 23.1274 -12.0715 -20.4606 2.05572 23.1273 2.05563 15.8931 GPRESSAVG: 3536200 -9.11214 -10.2043 23.8971 -12.0683 -19.6054 2.77395 22.382 1.71785 15.1944 TIMING: 3536200 CPU: 11240.3, 0.00314727/step Wall: 11240.3, 0.00314727/step, 1.27972 hours remaining, 241.777344 MB of memory in use. ENERGY: 3536200 4051.9953 20523.3432 14418.8058 229.8396 -203598.9018 2441.5651 0.0000 0.0000 51568.6569 -110364.6960 296.3658 -161933.3529 -110004.3375 297.9270 90.5799 113.7485 759253.8427 -4.6171 -4.5077 LDB: ============= START OF LOAD BALANCING ============== 11252.8 LDB: ============== END OF LOAD BALANCING =============== 11252.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11252.8 LDB: ============= START OF LOAD BALANCING ============== 11253.1 LDB: Largest compute 7070 load 0.034100 is 17.5% of average load 0.195355 LDB: Average compute 0.004388 is 2.2% of average load 0.195355 LDB: TIME 11253.1 LOAD: AVG 0.195355 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 11253.1 LOAD: AVG 0.195355 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 11253.1 LOAD: AVG 0.195355 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 11253.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11253.1 PRESSURE: 3536400 325.908 23.92 126.549 23.9201 127.52 0.404548 126.55 0.403877 -110.498 GPRESSURE: 3536400 344.701 -53.8518 82.767 0.140773 168.349 69.928 60.3604 50.6875 -90.0492 PRESSAVG: 3536400 -15.7824 -11.5814 -58.8214 -11.5814 21.0996 -12.8405 -58.8213 -12.8406 13.927 GPRESSAVG: 3536400 -16.2397 -12.6556 -59.016 -13.3825 20.9429 -11.9738 -58.6826 -14.8084 14.3804 TIMING: 3536400 CPU: 11241, 0.00320131/step Wall: 11241, 0.00320131/step, 1.30151 hours remaining, 240.808594 MB of memory in use. ENERGY: 3536400 3968.6543 20521.2708 14317.8822 253.1943 -203975.5811 2507.3826 0.0000 0.0000 51903.7135 -110503.4834 298.2914 -162407.1969 -110139.2867 298.1798 114.3099 141.0004 758617.5480 6.4147 6.3612 PRESSURE: 3536600 558.558 -37.0434 -173.326 -37.0432 238.909 141.824 -173.326 141.825 262.468 GPRESSURE: 3536600 565.973 -27.9572 -78.856 -104.023 219.236 118.616 -81.9867 74.8371 351.534 PRESSAVG: 3536600 26.4401 -11.5148 44.2485 -11.5148 -9.21086 -25.9312 44.2485 -25.9312 3.0065 GPRESSAVG: 3536600 26.7891 -11.9783 44.2775 -9.32745 -10.025 -26.1591 44.1725 -23.3644 3.56839 TIMING: 3536600 CPU: 11241.6, 0.00311778/step Wall: 11241.6, 0.00311778/step, 1.26738 hours remaining, 240.808594 MB of memory in use. ENERGY: 3536600 3969.6952 20723.4972 14510.8569 258.3520 -204409.1516 2939.7739 0.0000 0.0000 51792.6002 -110214.3762 297.6528 -162006.9763 -109864.6799 298.0343 353.3117 378.9146 758930.2440 6.7453 6.7775 PRESSURE: 3536800 -46.385 -298.436 122.698 -298.435 257.04 182.768 122.699 182.769 -60.3214 GPRESSURE: 3536800 34.4578 -248.371 39.6188 -269.859 208.25 174.082 52.658 41.5455 -13.2016 PRESSAVG: 3536800 -15.5299 -20.2188 9.15611 -20.2188 -22.2084 12.7739 9.15606 12.7739 21.3754 GPRESSAVG: 3536800 -14.3591 -20.5949 8.87129 -20.802 -23.4047 12.7878 7.78249 10.573 22.0049 TIMING: 3536800 CPU: 11242.2, 0.00310743/step Wall: 11242.2, 0.00310743/step, 1.263 hours remaining, 240.808594 MB of memory in use. ENERGY: 3536800 3963.5377 20407.0426 14411.1399 249.1062 -203786.7278 2452.8265 0.0000 0.0000 52026.4467 -110276.6283 298.9967 -162303.0749 -109904.3501 298.1932 50.1112 76.5019 760999.8697 -5.4543 -5.2530 PRESSURE: 3537000 -134.986 69.308 -7.40231 69.3081 -529.877 113.209 -7.40216 113.209 -492.194 GPRESSURE: 3537000 -143.714 88.9626 52.7377 -90.2487 -519.065 116.1 -49.9507 89.1899 -397.83 PRESSAVG: 3537000 -40.8017 -15.3468 21.3309 -15.3467 72.1957 43.1063 21.3309 43.1065 -8.29344 GPRESSAVG: 3537000 -40.4545 -15.3243 21.1593 -15.2335 73.1269 41.1277 21.9186 45.6155 -9.34359 TIMING: 3537000 CPU: 11242.8, 0.00311793/step Wall: 11242.8, 0.00311793/step, 1.26709 hours remaining, 240.808594 MB of memory in use. ENERGY: 3537000 3905.9006 20620.0309 14441.3724 265.4126 -203643.5246 2421.0944 0.0000 0.0000 51724.9054 -110264.8083 297.2637 -161989.7137 -109909.8367 297.8178 -385.6857 -353.5365 760622.0133 7.7002 7.7763 PRESSURE: 3537200 162.166 109.544 -80.0882 109.544 -325.014 74.187 -80.0888 74.1874 -279.616 GPRESSURE: 3537200 134.963 134.538 -45.0174 49.0771 -231.677 30.4767 -102.795 -127.421 -248.963 PRESSAVG: 3537200 -30.5137 30.5814 -18.1495 30.5813 41.1498 -3.98627 -18.1495 -3.98627 -3.81464 GPRESSAVG: 3537200 -29.9497 32.5972 -19.18 29.0579 41.7899 -3.52243 -18.3594 -5.39715 -4.76798 TIMING: 3537200 CPU: 11243.5, 0.00314688/step Wall: 11243.5, 0.00314688/step, 1.27868 hours remaining, 240.808594 MB of memory in use. ENERGY: 3537200 3893.4553 20552.5251 14473.8095 246.8297 -203595.7118 2337.1483 0.0000 0.0000 51785.9277 -110306.0161 297.6144 -162091.9438 -109957.2684 298.4999 -147.4878 -115.2256 760963.2401 2.2738 2.3574 PRESSURE: 3537400 14.4622 -15.7563 116.66 -15.7571 -117.398 -166.088 116.66 -166.087 208.844 GPRESSURE: 3537400 105.548 24.4939 209.562 -106.609 -74.6452 -136.489 6.70587 -209.036 146.643 PRESSAVG: 3537400 -34.7471 -10.5515 -4.97544 -10.5515 29.2523 -61.2924 -4.97546 -61.2924 -0.286469 GPRESSAVG: 3537400 -35.4455 -12.8372 -2.76436 -9.50879 29.1776 -59.5511 -5.64145 -60.8797 0.506507 TIMING: 3537400 CPU: 11244.1, 0.0031331/step Wall: 11244.1, 0.0031331/step, 1.27291 hours remaining, 240.808594 MB of memory in use. ENERGY: 3537400 3873.4521 20453.4697 14435.3594 254.1158 -203654.9195 2465.5779 0.0000 0.0000 51859.1352 -110313.8094 298.0352 -162172.9446 -109949.3145 297.4904 35.3027 59.1817 760970.5085 -1.9271 -1.9205 PRESSURE: 3537600 162.833 73.0276 151.898 73.0281 159.359 162.608 151.899 162.609 50.811 GPRESSURE: 3537600 203.584 -9.91699 102.507 132.049 165.83 179.091 154.257 198.153 80.3492 PRESSAVG: 3537600 -8.24867 32.5362 56.0159 32.5363 -29.7323 23.9957 56.0159 23.9957 0.28356 GPRESSAVG: 3537600 -8.39779 33.2176 54.555 33.0263 -29.0509 23.6332 55.5529 23.759 -0.0264044 TIMING: 3537600 CPU: 11244.7, 0.00312307/step Wall: 11244.7, 0.00312307/step, 1.26866 hours remaining, 240.808594 MB of memory in use. ENERGY: 3537600 3955.2096 20388.9117 14480.4931 225.9159 -203550.7656 2516.7888 0.0000 0.0000 51676.8401 -110306.6064 296.9875 -161983.4465 -109940.5142 297.5212 124.3341 149.9210 760851.8983 -12.5658 -12.4917 PRESSURE: 3537800 31.0998 -64.1561 95.4843 -64.1567 -305.727 35.0483 95.4834 35.0494 -62.3083 GPRESSURE: 3537800 16.4738 121.801 45.7134 -69.9045 -211.537 82.2964 101.629 60.7512 -72.8373 PRESSAVG: 3537800 -13.8867 -2.29638 -2.83005 -2.2964 22.3679 59.0379 -2.8301 59.0379 -3.90082 GPRESSAVG: 3537800 -13.1569 -3.12073 -2.46865 -2.70958 21.1673 59.5158 -0.933245 60.7988 -4.01965 TIMING: 3537800 CPU: 11245.3, 0.00312389/step Wall: 11245.3, 0.00312389/step, 1.26882 hours remaining, 240.808594 MB of memory in use. ENERGY: 3537800 3919.7596 20518.4967 14437.2237 253.6097 -203182.4073 2235.6256 0.0000 0.0000 51559.4243 -110258.2677 296.3127 -161817.6920 -109902.8005 297.7447 -112.3120 -89.3001 761165.8492 1.5268 1.3303 PRESSURE: 3538000 -289.67 1.55912 -61.4784 1.55931 -395.53 -79.1798 -61.4783 -79.1796 -369.829 GPRESSURE: 3538000 -252.096 -2.06669 -56.8347 100.594 -370.897 -51.7318 56.4916 -150.846 -351.596 PRESSAVG: 3538000 -11.458 7.85401 5.43806 7.85403 19.1409 -24.8834 5.43806 -24.8833 -16.0972 GPRESSAVG: 3538000 -12.5853 8.47526 4.14812 6.41086 20.5635 -26.0333 5.21955 -26.1601 -16.5501 TIMING: 3538000 CPU: 11246, 0.00312875/step Wall: 11246, 0.00312875/step, 1.27062 hours remaining, 240.808594 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: 3538000 4046.3658 20266.1478 14398.2508 241.7509 -203225.3946 2328.4823 0.0000 0.0000 51891.3625 -110053.0343 298.2204 -161944.3968 -109691.8267 297.7635 -351.6763 -324.8630 760364.6610 -2.8048 -2.8573 PRESSURE: 3538200 47.8937 31.9184 338.643 31.919 -16.8428 43.2495 338.642 43.2491 -298.415 GPRESSURE: 3538200 77.1722 -55.8097 338.519 66.2498 -28.5651 96.4908 325.021 18.6286 -229.901 PRESSAVG: 3538200 -57.2744 -40.7691 -30.2172 -40.7691 64.4359 -41.6697 -30.2173 -41.6698 -3.37262 GPRESSAVG: 3538200 -56.5255 -41.6073 -31.3176 -38.634 63.7531 -39.6653 -28.2352 -40.9702 -3.49995 TIMING: 3538200 CPU: 11246.6, 0.00312268/step Wall: 11246.6, 0.00312268/step, 1.26798 hours remaining, 240.808594 MB of memory in use. ENERGY: 3538200 3939.1507 20486.3653 14472.6552 255.8378 -203375.0662 2159.2612 0.0000 0.0000 51922.3110 -110139.4850 298.3982 -162061.7960 -109787.5290 298.0488 -89.1213 -60.4313 759783.9408 1.2630 1.2426 PRESSURE: 3538400 251.74 -196.563 88.5052 -196.563 176.733 180.331 88.5062 180.331 -68.3731 GPRESSURE: 3538400 268.451 -103.778 94.6176 -176.056 251.982 166.816 116.112 229.188 -78.0454 PRESSAVG: 3538400 35.5256 -35.4018 70.5503 -35.4018 -6.42333 69.2959 70.5503 69.2958 29.8707 GPRESSAVG: 3538400 35.569 -33.5526 73.4809 -35.1419 -5.57334 68.1002 67.6251 68.1605 29.204 TIMING: 3538400 CPU: 11247.2, 0.00313277/step Wall: 11247.2, 0.00313277/step, 1.27191 hours remaining, 240.808594 MB of memory in use. ENERGY: 3538400 3932.4292 20472.3318 14551.6637 233.7394 -204198.8503 2847.3326 0.0000 0.0000 52132.9593 -110028.3943 299.6088 -162161.3536 -109656.4487 298.3548 120.0332 147.4625 758886.1577 19.6577 19.7332 PRESSURE: 3538600 32.341 -151.99 -246.395 -151.991 -234.649 -90.8994 -246.395 -90.899 512.941 GPRESSURE: 3538600 0.0770677 -202.013 -322.178 9.68747 -104.704 -3.36387 -13.8319 -157.44 484.151 PRESSAVG: 3538600 3.81499 -77.1061 2.64802 -77.1061 26.2476 47.6222 2.64802 47.6222 -21.6246 GPRESSAVG: 3538600 2.07921 -79.275 1.40311 -77.3872 26.2254 47.4373 4.18466 49.7202 -20.1991 TIMING: 3538600 CPU: 11247.8, 0.00313398/step Wall: 11247.8, 0.00313398/step, 1.27222 hours remaining, 240.808594 MB of memory in use. ENERGY: 3538600 4012.4574 20564.7542 14410.1510 266.5799 -203677.9284 2381.8588 0.0000 0.0000 52058.7005 -109983.4267 299.1821 -162042.1271 -109613.6149 299.1301 103.5445 126.5080 758715.1529 2.8126 2.7018 PRESSURE: 3538800 147.81 -117.999 82.6771 -118 -110.775 27.8277 82.6772 27.8274 -64.0383 GPRESSURE: 3538800 221.439 -187.793 28.2231 -173.611 8.40426 48.4833 49.987 -2.66516 -154.948 PRESSAVG: 3538800 1.91268 5.7134 -44.0835 5.71341 -8.03072 25.4357 -44.0835 25.4357 35.0255 GPRESSAVG: 3538800 2.6773 6.98194 -42.5456 3.51775 -8.51385 25.9821 -44.1939 23.4611 34.4448 TIMING: 3538800 CPU: 11248.5, 0.00314057/step Wall: 11248.5, 0.00314057/step, 1.27472 hours remaining, 240.808594 MB of memory in use. ENERGY: 3538800 3997.5704 20373.6659 14496.9579 252.0226 -203510.0450 2432.4705 0.0000 0.0000 51930.9624 -110026.3952 298.4480 -161957.3576 -109658.4292 298.9841 -9.0010 24.9652 759161.4299 9.6358 9.5361 PRESSURE: 3539000 79.2338 -40.2411 -68.3042 -40.2418 182.728 79.3645 -68.3038 79.3639 -136.577 GPRESSURE: 3539000 206.921 -42.6864 -29.1023 -201.427 135.001 75.5844 -47.0334 -37.0951 -117.533 PRESSAVG: 3539000 19.0239 -55.659 10.1054 -55.6589 34.8142 38.934 10.1054 38.9339 -21.3754 GPRESSAVG: 3539000 19.7518 -55.0125 9.0382 -55.1623 34.5525 37.8538 7.62181 39.4253 -22.1375 TIMING: 3539000 CPU: 11249.1, 0.00314471/step Wall: 11249.1, 0.00314471/step, 1.27623 hours remaining, 240.808594 MB of memory in use. ENERGY: 3539000 3947.8450 20394.9668 14455.8457 249.0029 -203401.9520 2449.9777 0.0000 0.0000 51842.6671 -110061.6468 297.9405 -161904.3139 -109699.3500 298.3734 41.7948 74.7963 758897.3651 10.8209 10.7223 PRESSURE: 3539200 369.298 -174.535 -55.815 -174.535 237.76 -134.026 -55.8148 -134.027 -80.4618 GPRESSURE: 3539200 340.817 -177.629 -88.3911 -107.559 305.564 -137.971 8.85751 -52.3375 -33.9728 PRESSAVG: 3539200 -12.6299 -27.4541 24.1193 -27.454 62.5515 2.76419 24.1194 2.76419 -8.12128 GPRESSAVG: 3539200 -13.0592 -29.5522 23.8871 -27.5563 62.1903 3.87852 25.0236 3.11782 -7.70803 TIMING: 3539200 CPU: 11249.7, 0.00312749/step Wall: 11249.7, 0.00312749/step, 1.26907 hours remaining, 240.808594 MB of memory in use. ENERGY: 3539200 3990.8715 20415.5412 14416.3712 234.1400 -203739.5848 2704.2629 0.0000 0.0000 52248.0828 -109730.3151 300.2705 -161978.3980 -109366.5288 298.7488 175.5322 204.1363 758256.9042 13.9334 13.8077 PRESSURE: 3539400 -220.349 -16.4649 42.9769 -16.4653 105.298 299.715 42.9775 299.714 -144.139 GPRESSURE: 3539400 -208.956 -54.7892 61.1966 -80.0123 165.203 312.381 55.9941 205.04 -104.908 PRESSAVG: 3539400 13.8488 -13.199 -13.0179 -13.199 -32.2593 18.6208 -13.0178 18.6209 20.4741 GPRESSAVG: 3539400 13.0583 -10.9659 -13.5741 -15.1094 -31.5321 17.0782 -10.9979 19.7016 20.7509 TIMING: 3539400 CPU: 11250.3, 0.00311922/step Wall: 11250.3, 0.00311922/step, 1.26554 hours remaining, 240.808594 MB of memory in use. ENERGY: 3539400 3966.5144 20588.9212 14479.0770 248.0969 -203528.6506 2593.4932 0.0000 0.0000 51689.9565 -109962.5914 297.0629 -161652.5479 -109601.8653 299.1552 -86.3968 -49.5534 760710.8025 0.6879 0.7590 PRESSURE: 3539600 65.2522 -193.35 -91.8411 -193.35 64.6136 73.1728 -91.8408 73.1724 16.9108 GPRESSURE: 3539600 95.0113 -206.409 -67.5458 -405.222 188.273 76.3933 -6.42682 105.124 -70.1916 PRESSAVG: 3539600 13.7463 -34.3785 -41.8329 -34.3785 25.8635 37.9009 -41.833 37.9009 22.9004 GPRESSAVG: 3539600 14.5873 -36.4522 -40.8086 -32.714 25.9897 39.9031 -43.7968 35.6751 22.2255 TIMING: 3539600 CPU: 11251, 0.00314615/step Wall: 11251, 0.00314615/step, 1.27629 hours remaining, 240.808594 MB of memory in use. ENERGY: 3539600 4002.8526 20515.5513 14487.7341 245.8334 -203114.5952 2168.1649 0.0000 0.0000 51872.8178 -109821.6410 298.1138 -161694.4588 -109468.9313 298.5831 48.9255 71.0309 758653.7158 20.8367 20.9342 PRESSURE: 3539800 363.989 36.8406 7.47457 36.8414 123.502 -34.104 7.47581 -34.1039 -278.102 GPRESSURE: 3539800 389.556 -33.2807 -61.2546 25.6264 170.737 -135.808 101.583 -91.0045 -279.7 PRESSAVG: 3539800 -39.6795 -89.6995 3.76442 -89.6995 22.4526 15.6107 3.76443 15.6108 2.71594 GPRESSAVG: 3539800 -39.4357 -88.0629 1.71609 -90.5273 21.982 14.7229 2.80599 13.5979 3.25544 TIMING: 3539800 CPU: 11251.6, 0.00312926/step Wall: 11251.6, 0.00312926/step, 1.26926 hours remaining, 240.808594 MB of memory in use. ENERGY: 3539800 4058.0491 20452.4018 14454.9857 241.9500 -203451.9375 2477.4943 0.0000 0.0000 51860.1211 -109906.9355 298.0408 -161767.0566 -109549.4508 299.0268 69.7964 93.5312 758603.6200 -4.8370 -4.7328 PRESSURE: 3540000 -102.715 -158.839 -169.612 -158.839 -111.29 -49.4081 -169.611 -49.4084 15.6054 GPRESSURE: 3540000 -26.691 -79.0143 -136.492 -228.231 -75.8793 -65.2276 -55.2768 -16.8019 -16.7675 PRESSAVG: 3540000 31.6006 -48.8738 -22.7561 -48.8738 2.35871 23.4212 -22.7561 23.4212 13.9135 GPRESSAVG: 3540000 31.8286 -48.6184 -21.3657 -48.6721 2.85618 21.0282 -20.6004 25.3568 13.6273 TIMING: 3540000 CPU: 11252.2, 0.00313096/step Wall: 11252.2, 0.00313096/step, 1.26978 hours remaining, 240.808594 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: 3540000 3921.7790 20544.9622 14501.7839 230.3745 -203449.9047 2425.4513 0.0000 0.0000 51890.7318 -109934.8219 298.2167 -161825.5537 -109564.7670 298.8875 -66.1332 -39.7793 758823.1493 15.9576 16.1040 PRESSURE: 3540200 -184.598 -235.561 -25.8413 -235.561 298.375 -126.842 -25.8412 -126.842 -94.5352 GPRESSURE: 3540200 -119.019 -140.014 -123.133 -301.13 297.649 -75.9878 -25.1587 -81.1996 -61.6431 PRESSAVG: 3540200 -17.8092 -39.4984 -36.5423 -39.4984 -0.492424 -31.0774 -36.5423 -31.0774 -12.0775 GPRESSAVG: 3540200 -18.3109 -39.683 -37.1868 -37.791 -1.16333 -30.8467 -38.0462 -28.7802 -11.1849 TIMING: 3540200 CPU: 11252.8, 0.00313289/step Wall: 11252.8, 0.00313289/step, 1.27039 hours remaining, 240.808594 MB of memory in use. ENERGY: 3540200 3982.6462 20535.6348 14380.0469 252.9292 -203408.0476 2373.4570 0.0000 0.0000 51873.9315 -110009.4020 298.1202 -161883.3336 -109652.7755 298.2093 6.4137 38.9956 760792.4894 -10.1264 -10.2197 LDB: ============= START OF LOAD BALANCING ============== 11265.3 LDB: ============== END OF LOAD BALANCING =============== 11265.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11265.3 LDB: ============= START OF LOAD BALANCING ============== 11265.6 LDB: Largest compute 7075 load 0.035043 is 17.9% of average load 0.195324 LDB: Average compute 0.004388 is 2.2% of average load 0.195324 LDB: TIME 11265.6 LOAD: AVG 0.195324 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.121 MB LDB: TIME 11265.6 LOAD: AVG 0.195324 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.324 MB LDB: TIME 11265.6 LOAD: AVG 0.195324 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.324 MB LDB: ============== END OF LOAD BALANCING =============== 11265.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11265.6 PRESSURE: 3540400 -138.966 16.2247 13.7174 16.2232 -148.926 98.4809 13.7169 98.4804 -228.24 GPRESSURE: 3540400 -49.9632 59.5277 24.0145 -49.2989 -144.001 141.002 -57.9411 88.5696 -225.686 PRESSAVG: 3540400 -0.183861 -13.2364 37.8365 -13.2365 -40.4122 -18.7498 37.8364 -18.7498 9.5631 GPRESSAVG: 3540400 -0.0305664 -12.3308 38.0982 -13.4121 -40.1895 -16.5601 38.6075 -20.4867 9.15794 TIMING: 3540400 CPU: 11253.5, 0.00319632/step Wall: 11253.5, 0.00319632/step, 1.29593 hours remaining, 240.347656 MB of memory in use. ENERGY: 3540400 3914.8751 20429.1468 14450.4143 243.2946 -203175.5284 2121.5782 0.0000 0.0000 52114.7050 -109901.5144 299.5039 -162016.2194 -109528.9188 298.7193 -172.0439 -139.8833 759458.7273 -10.3443 -10.3540 PRESSURE: 3540600 -55.7947 66.723 10.6161 66.7231 -20.4367 -191.832 10.6157 -191.832 -8.41829 GPRESSURE: 3540600 42.2328 182.451 86.534 144.276 -20.6567 -282.089 19.4215 -131.434 -8.66404 PRESSAVG: 3540600 11.4222 -24.0875 27.5481 -24.0875 19.3884 -60.5213 27.5481 -60.5213 -10.0195 GPRESSAVG: 3540600 12.8749 -25.1555 27.9236 -23.8841 19.1449 -62.1053 26.1964 -60.5636 -10.934 TIMING: 3540600 CPU: 11254.1, 0.00315183/step Wall: 11254.1, 0.00315183/step, 1.27772 hours remaining, 240.550781 MB of memory in use. ENERGY: 3540600 4069.1672 20441.7291 14480.2794 229.1292 -202930.1463 2136.8644 0.0000 0.0000 51915.6675 -109657.3096 298.3601 -161572.9771 -109298.3456 298.8794 -28.2166 4.3040 760062.1519 6.9304 7.0286 PRESSURE: 3540800 114.909 121.24 -9.9348 121.239 114.743 38.6157 -9.93455 38.6167 38.0708 GPRESSURE: 3540800 132.2 122.116 -22.7829 125.924 74.2803 -70.4413 17.2576 -27.3751 145.704 PRESSAVG: 3540800 -10.8512 27.6305 -27.2843 27.6305 10.234 -71.8599 -27.2844 -71.8598 4.85183 GPRESSAVG: 3540800 -11.8295 27.7244 -27.3801 27.1355 10.6081 -73.1706 -27.3953 -68.9956 5.08561 TIMING: 3540800 CPU: 11254.7, 0.00313775/step Wall: 11254.7, 0.00313775/step, 1.27184 hours remaining, 240.550781 MB of memory in use. ENERGY: 3540800 3953.8093 20434.2981 14511.2528 225.3003 -202969.2743 2245.3165 0.0000 0.0000 52103.3028 -109495.9945 299.4384 -161599.2973 -109133.2604 299.2793 89.2410 117.3948 759889.3294 1.4115 1.2881 PRESSURE: 3541000 -15.5511 68.2643 -189.59 68.264 -329.632 -261.906 -189.59 -261.907 112.438 GPRESSURE: 3541000 -10.6785 148.62 -185.36 45.4301 -261.95 -277.223 -176.542 -217.156 120.307 PRESSAVG: 3541000 -0.984001 15.6173 13.7909 15.6172 -31.0887 -46.1492 13.791 -46.1491 -6.12108 GPRESSAVG: 3541000 -0.635059 14.8622 12.9973 12.5482 -32.3919 -43.9715 12.3453 -47.8419 -5.39635 TIMING: 3541000 CPU: 11255.4, 0.00314523/step Wall: 11255.4, 0.00314523/step, 1.27469 hours remaining, 240.550781 MB of memory in use. ENERGY: 3541000 3984.9603 20413.7305 14488.2915 266.0972 -203596.4721 2846.8368 0.0000 0.0000 51990.9011 -109605.6547 298.7924 -161596.5558 -109244.1065 298.7929 -77.5814 -50.7736 761473.0365 -12.7312 -12.8078 PRESSURE: 3541200 -155.764 -162.906 -147.803 -162.906 -97.4326 -204.072 -147.803 -204.072 -119.57 GPRESSURE: 3541200 -146.169 -103.001 -119.318 -153.597 -15.7647 -104.768 -2.34584 -321.222 -116.84 PRESSAVG: 3541200 34.9701 -14.4008 28.0359 -14.4008 -9.67072 -61.5464 28.0359 -61.5464 18.1344 GPRESSAVG: 3541200 35.6782 -14.1692 29.5817 -8.93428 -9.93187 -61.2277 29.0124 -62.2146 17.849 TIMING: 3541200 CPU: 11256, 0.00313831/step Wall: 11256, 0.00313831/step, 1.27171 hours remaining, 240.550781 MB of memory in use. ENERGY: 3541200 4016.4916 20464.8174 14543.9613 243.5418 -203267.3327 2466.2190 0.0000 0.0000 51981.5451 -109550.7565 298.7387 -161532.3016 -109194.5550 299.6681 -124.2556 -92.9245 760079.7014 14.4779 14.5318 PRESSURE: 3541400 -351.721 96.5031 -43.805 96.503 -104.673 16.1413 -43.8052 16.1417 -341.622 GPRESSURE: 3541400 -250.868 13.5955 -75.0277 93.2313 -121.411 89.1493 -97.7173 31.1888 -340.634 PRESSAVG: 3541400 -3.06014 5.13003 -18.4723 5.13009 0.897667 -48.7155 -18.4723 -48.7154 -12.3691 GPRESSAVG: 3541400 -3.2275 5.86637 -18.078 3.29924 2.00556 -49.5593 -19.4976 -48.6465 -13.385 TIMING: 3541400 CPU: 11256.6, 0.00314502/step Wall: 11256.6, 0.00314502/step, 1.27426 hours remaining, 240.550781 MB of memory in use. ENERGY: 3541400 3982.3540 20478.8133 14454.5085 269.1795 -203204.5184 2449.5687 0.0000 0.0000 51928.0601 -109642.0343 298.4313 -161570.0945 -109277.7942 299.3128 -266.0051 -237.6375 760103.3143 -4.8439 -4.8690 PRESSURE: 3541600 -378.198 61.6283 155.751 61.6278 -341.856 106.968 155.75 106.967 -53.2567 GPRESSURE: 3541600 -320.368 75.1681 116.508 57.309 -290.728 152.379 230.006 -150.795 -72.7152 PRESSAVG: 3541600 46.9675 -15.3634 -42.2016 -15.3634 -30.4435 -19.6849 -42.2017 -19.6848 23.7879 GPRESSAVG: 3541600 47.12 -15.5623 -42.6922 -15.3271 -31.0786 -19.9047 -39.6466 -19.6945 24.1065 TIMING: 3541600 CPU: 11257.3, 0.00315199/step Wall: 11257.3, 0.00315199/step, 1.27691 hours remaining, 240.550781 MB of memory in use. ENERGY: 3541600 4063.9084 20548.4420 14442.6508 220.7752 -202815.8983 2132.5065 0.0000 0.0000 51810.4844 -109597.1310 297.7556 -161407.6155 -109233.0601 299.5330 -257.7703 -227.9372 760021.0021 13.4373 13.3826 PRESSURE: 3541800 -226.682 48.0781 14.9759 48.0776 160.195 58.8447 14.9752 58.846 123.511 GPRESSURE: 3541800 -144.544 -11.8512 25.4784 85.2156 176.609 3.89907 62.0154 31.1724 108.238 PRESSAVG: 3541800 28.0449 -30.0464 -62.7779 -30.0464 -30.7241 13.6095 -62.7779 13.6096 -2.52379 GPRESSAVG: 3541800 28.3723 -31.2881 -61.3085 -29.598 -30.7672 13.7026 -64.4539 14.5887 -3.37589 TIMING: 3541800 CPU: 11257.9, 0.00315033/step Wall: 11257.9, 0.00315033/step, 1.27606 hours remaining, 240.550781 MB of memory in use. ENERGY: 3541800 3989.2850 20547.8100 14471.3673 236.5752 -202983.3046 2210.4318 0.0000 0.0000 52001.9219 -109525.9134 298.8558 -161527.8353 -109169.9702 298.8088 19.0079 46.7675 757895.6802 -1.7343 -1.9236 PRESSURE: 3542000 120.472 44.7784 151.118 44.7784 -305.367 -388.726 151.119 -388.726 -233.734 GPRESSURE: 3542000 104.334 87.3185 73.8895 106.967 -258.607 -422.732 99.8832 -134.725 -177.705 PRESSAVG: 3542000 33.6478 -61.0726 -40.1882 -61.0726 -51.6529 -94.1392 -40.1883 -94.1392 4.00519 GPRESSAVG: 3542000 33.3613 -58.6841 -40.8699 -61.9615 -52.3668 -93.1964 -40.6027 -96.0954 4.70736 TIMING: 3542000 CPU: 11258.5, 0.00315348/step Wall: 11258.5, 0.00315348/step, 1.27716 hours remaining, 240.550781 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: 3542000 4047.3437 20266.3499 14526.3108 235.5075 -203401.9510 2481.0343 0.0000 0.0000 52095.1202 -109750.2846 299.3914 -161845.4047 -109390.8149 299.6382 -139.5432 -110.6594 760332.7927 -4.6666 -4.7660 PRESSURE: 3542200 -59.966 -66.0179 -60.2927 -66.0175 36.5805 -171.687 -60.2925 -171.688 342.289 GPRESSURE: 3542200 -39.4962 -18.9521 -111.367 -92.3101 84.65 -193.447 15.2477 -255.869 333.828 PRESSAVG: 3542200 32.5131 -49.1908 3.44457 -49.1908 -26.21 11.399 3.44452 11.3991 -24.1877 GPRESSAVG: 3542200 31.9722 -50.8917 1.40585 -47.7655 -24.7755 10.5779 4.21919 13.6312 -24.6991 TIMING: 3542200 CPU: 11259.2, 0.00314814/step Wall: 11259.2, 0.00314814/step, 1.27482 hours remaining, 240.550781 MB of memory in use. ENERGY: 3542200 3931.6494 20331.0432 14458.2294 237.0672 -202938.0580 2070.7693 0.0000 0.0000 51896.2237 -110013.0758 298.2483 -161909.2995 -109647.2657 298.3125 106.3011 126.3273 759270.1494 -5.9615 -5.8342 PRESSURE: 3542400 -48.4287 -32.2548 -396.24 -32.2553 367.419 -8.37121 -396.239 -8.37088 479.661 GPRESSURE: 3542400 23.1531 -122.145 -368.468 -74.8658 424.828 -81.4567 -378.005 -90.3119 434.602 PRESSAVG: 3542400 -17.8153 -14.1418 -58.3614 -14.1418 4.83754 34.1253 -58.3615 34.1252 1.38715 GPRESSAVG: 3542400 -16.44 -13.1418 -58.6245 -15.9444 2.18846 33.5491 -56.8373 31.2082 2.35954 TIMING: 3542400 CPU: 11259.8, 0.00315576/step Wall: 11259.8, 0.00315576/step, 1.27773 hours remaining, 240.550781 MB of memory in use. ENERGY: 3542400 3938.5848 20391.4830 14484.9096 235.3349 -203310.2020 2348.4766 0.0000 0.0000 51681.5287 -110229.8843 297.0145 -161911.4130 -109875.4414 297.6877 266.2171 294.1942 759480.3880 -3.8635 -3.9640 PRESSURE: 3542600 22.6284 55.2916 29.046 55.2918 -398.582 90.1984 29.0459 90.1994 391.206 GPRESSURE: 3542600 71.8411 153.885 -3.59516 146.099 -263.977 107.685 -14.1244 53.0449 299.804 PRESSAVG: 3542600 36.6726 -21.6305 -26.6172 -21.6305 -28.927 -5.41848 -26.6172 -5.41855 -14.7081 GPRESSAVG: 3542600 35.8355 -22.8271 -24.2732 -20.8377 -27.6406 -5.13771 -28.3005 -4.6089 -15.1356 TIMING: 3542600 CPU: 11260.4, 0.00314625/step Wall: 11260.4, 0.00314625/step, 1.27371 hours remaining, 240.550781 MB of memory in use. ENERGY: 3542600 3873.3891 20375.1738 14462.6704 250.4449 -203469.7717 2271.2072 0.0000 0.0000 51889.6908 -110347.1956 298.2108 -162236.8864 -109993.3180 297.8414 5.0843 35.8894 758993.6570 -2.3208 -2.3136 PRESSURE: 3542800 310.346 -8.36612 -50.1737 -8.36622 161.263 -21.1131 -50.1738 -21.1136 209.675 GPRESSURE: 3542800 306.312 -100.598 -78.9026 -156.751 211.679 -40.556 -90.5276 -17.2962 243.286 PRESSAVG: 3542800 37.8261 -9.04306 -56.2291 -9.04311 -31.2054 9.35215 -56.229 9.35215 -20.5458 GPRESSAVG: 3542800 37.394 -10.4046 -57.8632 -7.51852 -31.4555 10.0837 -56.3681 10.7339 -20.0832 TIMING: 3542800 CPU: 11261, 0.00314463/step Wall: 11261, 0.00314463/step, 1.27288 hours remaining, 240.550781 MB of memory in use. ENERGY: 3542800 3876.9611 20473.4303 14495.5756 232.4814 -204320.1551 2819.0812 0.0000 0.0000 52119.7514 -110302.8740 299.5329 -162422.6255 -109936.7392 298.1444 227.0948 253.7592 756676.7591 -4.6417 -4.7149 PRESSURE: 3543000 -302.732 135.091 -40.9607 135.091 -132.193 -82.1441 -40.9601 -82.1452 148.625 GPRESSURE: 3543000 -222.283 124.688 28.0288 122.361 -108.893 -134.341 -41.223 -131.543 118.886 PRESSAVG: 3543000 48.3238 8.28885 -17.9661 8.28888 14.2235 -9.21571 -17.966 -9.21563 12.3576 GPRESSAVG: 3543000 47.2747 8.4922 -16.6903 7.58747 16.5376 -9.61717 -19.3636 -11.9201 11.2504 TIMING: 3543000 CPU: 11261.7, 0.00312956/step Wall: 11261.7, 0.00312956/step, 1.2666 hours remaining, 240.550781 MB of memory in use. ENERGY: 3543000 4024.1398 20410.3370 14548.5907 249.4637 -203776.3830 2513.9274 0.0000 0.0000 51827.6338 -110202.2906 297.8541 -162029.9244 -109833.6198 298.1312 -95.4334 -70.7635 758140.3116 24.9683 25.0209 PRESSURE: 3543200 -232.542 133.41 155.731 133.41 76.8219 8.17867 155.729 8.17998 -58.4677 GPRESSURE: 3543200 -147.523 102.405 104.934 105.078 90.7727 73.7336 76.6232 15.6825 -74.3759 PRESSAVG: 3543200 -1.73703 36.9208 1.97882 36.9208 36.4225 -39.1916 1.9788 -39.1916 15.809 GPRESSAVG: 3543200 0.0875362 36.1604 0.915321 39.1498 33.6561 -38.1281 2.75493 -37.2067 16.8756 TIMING: 3543200 CPU: 11262.3, 0.00314113/step Wall: 11262.3, 0.00314113/step, 1.27111 hours remaining, 240.550781 MB of memory in use. ENERGY: 3543200 3933.5868 20636.8037 14518.0047 231.9678 -203489.9442 2393.9942 0.0000 0.0000 51845.0328 -109930.5543 297.9541 -161775.5871 -109580.9201 298.5839 -71.3961 -43.7086 760013.0667 16.8315 16.8731 PRESSURE: 3543400 -211.197 -122.692 -61.6405 -122.692 -233.594 62.46 -61.6409 62.4603 -151.928 GPRESSURE: 3543400 -247.924 -76.9568 62.249 -137.284 -64.8191 34.4316 -94.0964 -42.9673 -182.417 PRESSAVG: 3543400 2.40267 58.8551 14.1182 58.855 -26.9384 5.17088 14.1183 5.17084 2.29896 GPRESSAVG: 3543400 1.2501 59.6627 15.6669 56.2372 -24.8693 4.8252 13.5661 1.72688 1.48936 TIMING: 3543400 CPU: 11262.9, 0.00312301/step Wall: 11262.9, 0.00312301/step, 1.2636 hours remaining, 240.550781 MB of memory in use. ENERGY: 3543400 3894.1330 20284.5721 14481.9129 247.9706 -203658.0863 2531.8069 0.0000 0.0000 52151.1405 -110066.5504 299.7133 -162217.6909 -109695.2650 298.0246 -198.9066 -165.0533 759376.3970 -7.4122 -7.3766 PRESSURE: 3543600 14.0251 14.0352 -100.656 14.0346 227.123 28.8377 -100.655 28.8384 -75.2041 GPRESSURE: 3543600 -4.80544 6.61161 -62.7518 3.05812 251.796 -47.5805 -103.943 109.919 0.903402 PRESSAVG: 3543600 -23.4741 0.00134845 -17.9496 0.00135663 15.1288 -35.8942 -17.9495 -35.8941 2.66772 GPRESSAVG: 3543600 -24.1186 2.89632 -19.8483 -0.529134 14.1072 -33.3598 -15.4138 -35.2164 3.48117 TIMING: 3543600 CPU: 11263.5, 0.00312874/step Wall: 11263.5, 0.00312874/step, 1.26575 hours remaining, 240.550781 MB of memory in use. ENERGY: 3543600 3867.4254 20475.5289 14471.6240 257.2365 -203647.8108 2563.3772 0.0000 0.0000 52013.6976 -109998.9211 298.9234 -162012.6187 -109634.8091 298.3231 55.3145 82.6314 760892.4226 -1.8925 -2.1767 PRESSURE: 3543800 14.7051 -82.5783 341.453 -82.5781 -17.9892 -73.3331 341.453 -73.3325 -669.498 GPRESSURE: 3543800 38.9437 -15.9562 315.109 2.1618 28.1891 -63.922 302.36 40.002 -665.314 PRESSAVG: 3543800 -7.00798 35.2917 -3.56491 35.2918 32.0222 -0.277097 -3.5649 -0.277092 9.94449 GPRESSAVG: 3543800 -6.43376 34.7466 -2.6927 37.5723 32.2048 -4.22653 -6.28379 3.09538 10.1996 TIMING: 3543800 CPU: 11264.2, 0.00314029/step Wall: 11264.2, 0.00314029/step, 1.27025 hours remaining, 240.550781 MB of memory in use. ENERGY: 3543800 4008.7490 20465.8042 14549.3572 268.7208 -203871.2457 2592.4112 0.0000 0.0000 51965.8108 -110020.3924 298.6482 -161986.2032 -109662.0611 298.4103 -224.2608 -199.3937 761910.6794 11.6529 11.9902 PRESSURE: 3544000 -190.531 52.2224 -413.843 52.2219 -278.612 -94.507 -413.843 -94.5056 -605.823 GPRESSURE: 3544000 -167.933 -37.9647 -400.323 40.2517 -244.264 -17.3058 -233.397 -197.483 -586.241 PRESSAVG: 3544000 21.2475 45.4384 14.3849 45.4384 -10.8328 -25.3407 14.3849 -25.3407 -26.0785 GPRESSAVG: 3544000 21.5654 43.8169 12.4947 45.5576 -11.0833 -25.5383 15.791 -26.6097 -25.8087 TIMING: 3544000 CPU: 11264.8, 0.00314395/step Wall: 11264.8, 0.00314395/step, 1.27155 hours remaining, 240.550781 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: 3544000 4010.6731 20682.4214 14504.4592 248.5203 -203415.5373 2303.4690 0.0000 0.0000 51840.1610 -109825.8332 297.9261 -161665.9942 -109478.0768 299.0752 -358.3220 -332.8126 761379.8911 -5.2213 -5.1089 PRESSURE: 3544200 136.711 -12.0571 -142.895 -12.0576 -251.546 -80.3104 -142.895 -80.3108 7.25949 GPRESSURE: 3544200 122.217 35.8378 -55.486 -51.3563 -218.683 -20.8748 -156.02 -72.4857 85.7148 PRESSAVG: 3544200 5.29628 37.5442 -53.6655 37.5442 -8.06654 9.2605 -53.6655 9.26042 -4.88888 GPRESSAVG: 3544200 4.41619 40.4345 -51.4453 34.9287 -8.0719 9.91032 -56.1392 9.67804 -5.0619 TIMING: 3544200 CPU: 11265.4, 0.0031398/step Wall: 11265.4, 0.0031398/step, 1.2697 hours remaining, 240.550781 MB of memory in use. ENERGY: 3544200 3996.3436 20397.3550 14452.5311 230.5510 -203854.3407 2723.3352 0.0000 0.0000 52075.7095 -109978.5153 299.2798 -162054.2247 -109611.3107 298.9759 -35.8586 -3.5837 760635.9109 -2.5530 -2.9059 LDB: ============= START OF LOAD BALANCING ============== 11277.9 LDB: ============== END OF LOAD BALANCING =============== 11277.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11277.9 LDB: ============= START OF LOAD BALANCING ============== 11278.2 LDB: Largest compute 7075 load 0.035109 is 18.0% of average load 0.195434 LDB: Average compute 0.004382 is 2.2% of average load 0.195434 LDB: TIME 11278.2 LOAD: AVG 0.195434 MAX 0.214369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 11278.2 LOAD: AVG 0.195434 MAX 0.214369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 11278.2 LOAD: AVG 0.195434 MAX 0.214369 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 11278.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11278.2 PRESSURE: 3544400 151.701 -43.844 127.719 -43.8431 -85.3975 51.341 127.72 51.3408 97.2806 GPRESSURE: 3544400 175.453 -156.621 109.519 23.6368 16.5567 95.4734 25.5831 35.6444 45.4002 PRESSAVG: 3544400 74.1603 26.0134 -83.1077 26.0134 -38.8545 -9.46565 -83.1077 -9.46566 16.2745 GPRESSAVG: 3544400 73.7265 23.0841 -84.1845 27.654 -38.1668 -9.05752 -79.601 -11.3489 16.2253 TIMING: 3544400 CPU: 11266.1, 0.00319413/step Wall: 11266.1, 0.00319413/step, 1.29149 hours remaining, 240.808594 MB of memory in use. ENERGY: 3544400 4065.4627 20255.1382 14486.9957 236.3023 -204087.0116 2879.8790 0.0000 0.0000 52145.9383 -110017.2953 299.6834 -162163.2336 -109655.3879 299.0084 54.5281 79.1367 759992.4611 17.1934 17.2617 PRESSURE: 3544600 -166.076 -112.509 111.169 -112.509 33.3854 184.731 111.169 184.731 554.002 GPRESSURE: 3544600 -76.6242 8.31685 121.939 -116.296 64.3187 79.1021 -2.21879 125.675 508.456 PRESSAVG: 3544600 9.8641 23.3342 -2.99636 23.3343 -24.6548 17.7367 -2.99637 17.7368 -14.1121 GPRESSAVG: 3544600 10.248 22.8933 -1.54859 21.8785 -24.4105 15.5077 -5.52037 18.4794 -15.0494 TIMING: 3544600 CPU: 11266.7, 0.00313442/step Wall: 11266.7, 0.00313442/step, 1.26718 hours remaining, 240.808594 MB of memory in use. ENERGY: 3544600 3963.2720 20467.6876 14477.1475 254.3901 -203473.5381 2523.5072 0.0000 0.0000 51963.7336 -109823.8000 298.6363 -161787.5336 -109463.5374 299.0951 140.4372 165.3836 759300.0484 -9.6343 -9.7373 PRESSURE: 3544800 31.5231 -225.886 78.2813 -225.886 -61.5759 -17.4646 78.2812 -17.4641 -149.141 GPRESSURE: 3544800 37.8182 -238.127 88.019 -168.352 -6.13926 22.5947 75.7731 -88.7486 -129.057 PRESSAVG: 3544800 -11.7582 -3.71083 -34.7742 -3.71083 24.4615 -20.7243 -34.7742 -20.7243 14.8025 GPRESSAVG: 3544800 -12.0808 -3.92869 -35.4731 0.742928 26.1374 -17.6679 -34.0042 -20.4534 13.7126 TIMING: 3544800 CPU: 11267.3, 0.00312488/step Wall: 11267.3, 0.00312488/step, 1.26315 hours remaining, 240.808594 MB of memory in use. ENERGY: 3544800 4034.9992 20469.1862 14417.5121 250.2170 -203711.2472 2462.4940 0.0000 0.0000 52263.2071 -109813.6317 300.3574 -162076.8388 -109456.9631 298.6761 -59.7313 -32.4592 761176.2194 9.1686 9.2564 PRESSURE: 3545000 77.9701 -36.1602 -184.09 -36.1608 279.025 274.512 -184.091 274.513 259.573 GPRESSURE: 3545000 179.337 -81.9579 -139.585 10.2439 260.803 219.386 -239.815 285.68 229.457 PRESSAVG: 3545000 -58.1152 -20.8973 -18.7751 -20.8972 10.7814 -16.8388 -18.7751 -16.8388 5.19184 GPRESSAVG: 3545000 -57.55 -20.2175 -19.1301 -25.4004 9.21717 -17.2338 -17.7219 -18.176 5.70104 TIMING: 3545000 CPU: 11267.9, 0.00311441/step Wall: 11267.9, 0.00311441/step, 1.25874 hours remaining, 240.808594 MB of memory in use. ENERGY: 3545000 3960.0111 20463.1380 14507.1062 233.0204 -203617.0680 2790.9465 0.0000 0.0000 51886.0643 -109776.7815 298.1899 -161662.8458 -109409.2509 299.0720 205.5228 223.1990 759020.0196 -14.0473 -14.2106 PRESSURE: 3545200 -113.892 -121.746 40.538 -121.746 -151.213 -219.753 40.5377 -219.754 -412.773 GPRESSURE: 3545200 -114.755 -32.5117 40.366 -159.609 -99.528 -149.117 5.97923 -154.818 -374.527 PRESSAVG: 3545200 5.54728 18.7891 22.7253 18.7891 -13.29 -5.43651 22.7253 -5.43646 10.3099 GPRESSAVG: 3545200 4.774 19.1428 21.3459 20.2264 -13.9751 -5.73126 22.0845 -2.1447 11.2294 TIMING: 3545200 CPU: 11268.6, 0.00312883/step Wall: 11268.6, 0.00312883/step, 1.2644 hours remaining, 240.808594 MB of memory in use. ENERGY: 3545200 3994.7439 20660.8790 14510.5589 272.9614 -203631.9707 2440.1834 0.0000 0.0000 51882.2451 -109870.3990 298.1680 -161752.6442 -109518.5853 299.4199 -225.9593 -196.2699 757862.0352 0.8557 0.6761 PRESSURE: 3545400 -244.329 59.5919 -67.4451 59.5916 -245.462 -14.458 -67.4445 -14.458 254.816 GPRESSURE: 3545400 -213.257 8.41328 -29.9856 37.7821 -181.842 85.3183 -132.396 -190.259 244.614 PRESSAVG: 3545400 30.2149 -22.3272 25.86 -22.3272 5.82603 45.5645 25.86 45.5645 -11.2888 GPRESSAVG: 3545400 29.1908 -21.408 26.6553 -24.828 7.11715 44.8675 25.4012 43.8951 -11.5333 TIMING: 3545400 CPU: 11269.2, 0.0031378/step Wall: 11269.2, 0.0031378/step, 1.26785 hours remaining, 240.808594 MB of memory in use. ENERGY: 3545400 3958.3004 20383.0171 14418.9792 245.1524 -203601.9174 2322.9418 0.0000 0.0000 52127.7985 -110145.7280 299.5792 -162273.5265 -109780.1006 298.9742 -78.3250 -50.1615 758840.3483 8.2507 8.2582 PRESSURE: 3545600 67.1657 8.70595 -147.117 8.70571 274.805 -187.28 -147.117 -187.281 454.552 GPRESSURE: 3545600 188.845 28.2934 32.2031 112.604 274.351 -222.676 -186.584 -258.401 426.198 PRESSAVG: 3545600 -13.6657 -8.16952 -13.3743 -8.1695 32.3865 16.5906 -13.3743 16.5906 11.0426 GPRESSAVG: 3545600 -11.6066 -10.5222 -12.0889 -3.94945 31.2958 15.8601 -14.0114 17.4289 10.4964 TIMING: 3545600 CPU: 11269.8, 0.0031436/step Wall: 11269.8, 0.0031436/step, 1.27001 hours remaining, 240.808594 MB of memory in use. ENERGY: 3545600 3975.3487 20398.9456 14432.9411 255.6822 -203924.8987 2819.9873 0.0000 0.0000 52151.4405 -109890.5534 299.7150 -162041.9939 -109532.1490 298.7326 265.5077 296.4646 758738.9184 9.9211 10.0619 PRESSURE: 3545800 -18.1943 194.989 5.25379 194.989 155.359 68.8657 5.254 68.8659 -38.7896 GPRESSURE: 3545800 52.8954 116.876 -44.5696 136.934 170.152 140.293 -19.8827 116.971 -44.4859 PRESSAVG: 3545800 -22.6756 -22.9305 6.2076 -22.9305 23.0956 4.57561 6.20752 4.57555 -38.4311 GPRESSAVG: 3545800 -22.1445 -21.6914 3.89954 -25.9723 22.5801 5.36183 6.5619 7.25036 -38.4699 TIMING: 3545800 CPU: 11270.5, 0.00314138/step Wall: 11270.5, 0.00314138/step, 1.26894 hours remaining, 240.808594 MB of memory in use. ENERGY: 3545800 3984.0748 20496.1104 14456.8617 242.4338 -203236.9208 2295.9940 0.0000 0.0000 51919.2916 -109842.1546 298.3809 -161761.4461 -109483.0237 299.3735 32.7918 59.5205 759232.9368 -12.6703 -12.6781 PRESSURE: 3546000 166.047 46.2128 276.685 46.2128 -21.9414 51.9909 276.686 51.9921 59.244 GPRESSURE: 3546000 214.429 11.9595 241.952 53.1517 52.9273 12.7931 258.334 17.0933 23.7944 PRESSAVG: 3546000 28.0416 45.359 -48.1141 45.3589 16.8761 49.2078 -48.1141 49.2078 20.6723 GPRESSAVG: 3546000 28.2256 43.8047 -46.6594 46.7998 17.7785 48.9786 -49.7401 46.3004 19.7894 TIMING: 3546000 CPU: 11271.1, 0.00314363/step Wall: 11271.1, 0.00314363/step, 1.26968 hours remaining, 240.808594 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: 3546000 4003.3548 20539.4109 14435.0629 257.9615 -203709.7609 2546.0401 0.0000 0.0000 52152.5689 -109775.3618 299.7215 -161927.9307 -109425.0440 298.8619 67.7833 97.0502 757361.5502 21.8633 21.9312 PRESSURE: 3546200 102.633 -127.765 -107.14 -127.766 -122.696 -24.0896 -107.14 -24.0894 -570.711 GPRESSURE: 3546200 74.1506 -110.406 -81.5587 -107.228 -78.5144 -12.8754 -133.025 -37.7667 -516.706 PRESSAVG: 3546200 6.25488 44.2248 24.8318 44.2248 -34.141 22.9952 24.8318 22.9951 6.68036 GPRESSAVG: 3546200 4.78258 45.884 25.1089 43.0465 -32.3023 21.5729 25.2049 24.4057 6.06972 TIMING: 3546200 CPU: 11271.7, 0.00313954/step Wall: 11271.7, 0.00313954/step, 1.26785 hours remaining, 240.808594 MB of memory in use. ENERGY: 3546200 3908.4140 20407.0874 14535.6879 265.1049 -203117.2776 2019.2498 0.0000 0.0000 52166.7340 -109814.9996 299.8029 -161981.7337 -109447.7786 298.9018 -196.9245 -173.6900 759606.2402 -7.0686 -7.1500 PRESSURE: 3546400 -248.643 274.495 67.0102 274.495 166.133 -97.8866 67.0101 -97.8868 -170.933 GPRESSURE: 3546400 -176.531 246.821 86.4842 271.751 180.227 34.1206 54.8104 -81.6607 -191.105 PRESSAVG: 3546400 1.53466 9.2453 -7.28867 9.24531 -2.57189 24.9175 -7.28867 24.9173 -6.96627 GPRESSAVG: 3546400 2.45652 9.25274 -8.65984 9.00878 -4.5447 26.1719 -3.79141 23.3899 -6.32714 TIMING: 3546400 CPU: 11272.3, 0.00316264/step Wall: 11272.3, 0.00316264/step, 1.277 hours remaining, 240.808594 MB of memory in use. ENERGY: 3546400 4006.5649 20466.7044 14437.6000 274.4194 -203252.4596 2428.5274 0.0000 0.0000 51930.9524 -109707.6909 298.4479 -161638.6434 -109350.8133 299.4978 -84.4807 -62.4699 760881.6653 -2.6678 -2.8051 PRESSURE: 3546600 122.098 -68.0963 40.5919 -68.0964 -181.731 25.7581 40.5927 25.7584 -159.408 GPRESSURE: 3546600 75.2033 -8.42919 -18.5311 -65.7238 -131.588 -30.8243 31.0268 160.646 -72.2629 PRESSAVG: 3546600 -49.3505 -11.8204 -20.4723 -11.8204 -0.181557 28.1063 -20.4723 28.1064 19.3382 GPRESSAVG: 3546600 -50.0939 -13.0508 -19.5644 -10.6275 -0.784407 29.9138 -22.3438 27.3764 20.2157 TIMING: 3546600 CPU: 11273, 0.00312295/step Wall: 11273, 0.00312295/step, 1.2608 hours remaining, 240.808594 MB of memory in use. ENERGY: 3546600 4016.7908 20464.7414 14558.3685 225.9679 -203321.7191 2283.5111 0.0000 0.0000 52042.6212 -109729.7183 299.0897 -161772.3395 -109365.8567 298.7383 -73.0135 -42.8825 758312.1194 -10.0646 -10.2209 PRESSURE: 3546800 -423.344 -54.5986 32.5049 -54.5983 -81.6596 -30.4396 32.5044 -30.4397 17.5589 GPRESSURE: 3546800 -365.613 -33.3108 99.268 8.39722 -24.8839 -33.9854 -4.89949 19.6126 3.53389 PRESSAVG: 3546800 -26.4448 4.69537 -4.00259 4.69539 41.8268 8.95753 -4.00262 8.95758 -2.52906 GPRESSAVG: 3546800 -27.9526 6.80388 -4.09618 4.85943 43.6001 7.65113 -4.83865 9.45498 -2.90526 TIMING: 3546800 CPU: 11273.6, 0.00316039/step Wall: 11273.6, 0.00316039/step, 1.27574 hours remaining, 240.808594 MB of memory in use. ENERGY: 3546800 3989.5185 20565.2207 14470.6054 242.7622 -203445.1435 2385.1250 0.0000 0.0000 52169.0976 -109622.8141 299.8165 -161791.9117 -109259.4065 298.8617 -162.4816 -128.9878 760300.2101 4.2843 4.2474 PRESSURE: 3547000 -166.757 -157.985 15.229 -157.985 43.5317 26.8845 15.2299 26.8845 249.027 GPRESSURE: 3547000 -57.0569 -70.2013 -67.98 -1.79479 34.4411 -7.14816 152.369 74.1735 225.437 PRESSAVG: 3547000 -26.4507 -18.1325 23.4133 -18.1325 23.2401 -22.6988 23.4133 -22.6988 -2.74847 GPRESSAVG: 3547000 -23.2208 -18.9041 22.969 -17.569 20.4968 -24.1415 23.8264 -23.0083 -3.97173 TIMING: 3547000 CPU: 11274.2, 0.00314319/step Wall: 11274.2, 0.00314319/step, 1.26863 hours remaining, 240.808594 MB of memory in use. ENERGY: 3547000 3943.0450 20410.3074 14410.0024 229.2862 -203161.3990 2398.7380 0.0000 0.0000 52152.5074 -109617.5126 299.7212 -161770.0201 -109253.1023 299.0885 41.9337 67.6069 760201.2573 -1.9863 -2.2319 PRESSURE: 3547200 -220.474 55.3534 -125.256 55.3535 -170.709 107.59 -125.256 107.59 -102.734 GPRESSURE: 3547200 -132.825 58.752 -16.5465 98.3739 -123.907 203.898 -88.3584 -44.5775 -134.966 PRESSAVG: 3547200 -126.027 28.5848 -50.8522 28.5848 96.734 -73.5214 -50.8521 -73.5214 16.7918 GPRESSAVG: 3547200 -127.697 27.1291 -50.546 26.6207 98.087 -74.6997 -49.6721 -74.7406 17.1114 TIMING: 3547200 CPU: 11274.9, 0.00314609/step Wall: 11274.9, 0.00314609/step, 1.26962 hours remaining, 240.808594 MB of memory in use. ENERGY: 3547200 4028.0787 20466.3617 14496.2726 263.0942 -203452.0801 2617.4174 0.0000 0.0000 52071.4756 -109509.3799 299.2555 -161580.8555 -109146.4047 299.5274 -164.6389 -130.5660 761871.8587 -4.1670 -4.1661 PRESSURE: 3547400 -300.368 -189.992 50.0439 -189.992 -173.421 -86.8269 50.0438 -86.8273 116.102 GPRESSURE: 3547400 -246.563 -26.5902 94.3524 -254.953 -199.248 -142.805 -24.0848 20.3351 171.175 PRESSAVG: 3547400 -29.8614 29.9147 -8.22089 29.9148 50.4911 -32.0981 -8.2209 -32.0982 -21.0902 GPRESSAVG: 3547400 -30.5811 32.7262 -7.05766 31.8584 49.8887 -29.7221 -11.1416 -29.0448 -19.3968 TIMING: 3547400 CPU: 11275.5, 0.00314834/step Wall: 11275.5, 0.00314834/step, 1.27035 hours remaining, 240.808594 MB of memory in use. ENERGY: 3547400 3995.8938 20457.5858 14471.3650 242.0902 -203399.9010 2556.5308 0.0000 0.0000 51962.9931 -109713.4423 298.6320 -161676.4353 -109358.9475 299.3265 -119.2292 -91.5456 761613.0374 -0.1535 -0.0297 PRESSURE: 3547600 -105.351 16.1996 7.6647 16.1994 -237.201 102.956 7.66488 102.957 331.182 GPRESSURE: 3547600 -82.9872 -123.328 46.0469 26.4949 -166.866 69.8537 53.4476 -108.198 340.091 PRESSAVG: 3547600 -30.1961 -23.812 -58.8515 -23.812 60.7029 -18.9023 -58.8515 -18.9023 3.43066 GPRESSAVG: 3547600 -28.8306 -26.6412 -58.706 -23.4995 61.8476 -18.5468 -56.9107 -23.4881 1.55897 TIMING: 3547600 CPU: 11276.1, 0.00314465/step Wall: 11276.1, 0.00314465/step, 1.26869 hours remaining, 240.808594 MB of memory in use. ENERGY: 3547600 3961.7588 20446.2480 14479.1775 267.7376 -203676.5679 2543.1353 0.0000 0.0000 52177.9181 -109800.5925 299.8672 -161978.5106 -109439.1257 298.9024 -3.7900 30.0792 759923.2976 11.3125 11.5253 PRESSURE: 3547800 -225.137 237.477 -45.4448 237.478 0.42205 7.59078 -45.4448 7.59082 162 GPRESSURE: 3547800 -161.584 217.597 -60.9409 211.655 48.7469 -58.9727 1.12983 33.5435 145.764 PRESSAVG: 3547800 -29.0186 7.92392 57.0051 7.92393 1.22505 -57.1138 57.0051 -57.1138 21.3238 GPRESSAVG: 3547800 -28.816 10.8887 56.5121 5.89529 0.502712 -57.2578 55.7376 -52.7952 21.9419 TIMING: 3547800 CPU: 11276.7, 0.00314037/step Wall: 11276.7, 0.00314037/step, 1.26679 hours remaining, 240.808594 MB of memory in use. ENERGY: 3547800 3960.0450 20480.8602 14469.4525 258.1983 -203489.6907 2496.0188 0.0000 0.0000 51961.8088 -109863.3072 298.6252 -161825.1160 -109508.4186 298.5436 -20.9049 10.9754 759918.1315 -2.1566 -2.1238 PRESSURE: 3548000 -4.75864 -11.6147 114.592 -11.6148 -360.074 23.181 114.592 23.1811 189.748 GPRESSURE: 3548000 57.2569 -88.129 82.9058 -48.953 -362.751 75.3278 128.353 62.0407 214.64 PRESSAVG: 3548000 -5.03945 -6.60377 3.27584 -6.60376 -9.4411 -30.4745 3.27579 -30.4745 34.499 GPRESSAVG: 3548000 -5.49691 -9.14507 2.80143 -5.16456 -8.57913 -30.484 4.66961 -33.7521 33.8022 TIMING: 3548000 CPU: 11277.4, 0.00318472/step Wall: 11277.4, 0.00318472/step, 1.28451 hours remaining, 240.808594 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: 3548000 3993.7128 20256.9690 14505.5608 231.2499 -203437.4764 2596.4841 0.0000 0.0000 51977.1713 -109876.3285 298.7135 -161853.4998 -109510.6357 298.8944 -58.3616 -30.2849 758924.9395 6.6728 6.5754 PRESSURE: 3548200 103.333 -173.615 -190.651 -173.615 -231.66 -20.165 -190.651 -20.1638 -7.47067 GPRESSURE: 3548200 115.5 -212.879 -137.69 -69.9994 -246.021 43.3055 -142.373 -28.7663 69.8431 PRESSAVG: 3548200 40.1018 -35.9434 -8.92716 -35.9434 0.125672 2.82246 -8.92716 2.82249 -28.1614 GPRESSAVG: 3548200 40.5584 -36.7366 -8.4658 -35.2317 -1.17464 2.60028 -10.2065 4.16218 -26.9377 TIMING: 3548200 CPU: 11278, 0.00315188/step Wall: 11278, 0.00315188/step, 1.27108 hours remaining, 240.808594 MB of memory in use. ENERGY: 3548200 3955.9722 20342.9826 14482.4043 243.9276 -203141.8472 2287.6081 0.0000 0.0000 52002.8150 -109826.1373 298.8609 -161828.9523 -109468.4072 299.0129 -45.2659 -20.2261 760728.1753 4.0220 4.1487 LDB: ============= START OF LOAD BALANCING ============== 11290.5 LDB: ============== END OF LOAD BALANCING =============== 11290.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11290.5 LDB: ============= START OF LOAD BALANCING ============== 11290.8 LDB: Largest compute 7048 load 0.033300 is 17.0% of average load 0.195319 LDB: Average compute 0.004403 is 2.3% of average load 0.195319 LDB: TIME 11290.8 LOAD: AVG 0.195319 MAX 0.21569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 11290.8 LOAD: AVG 0.195319 MAX 0.21569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.164 MB LDB: TIME 11290.8 LOAD: AVG 0.195319 MAX 0.21569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.164 MB LDB: ============== END OF LOAD BALANCING =============== 11290.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11290.8 PRESSURE: 3548400 -330.585 -215.697 -174.243 -215.697 62.4206 -214.145 -174.244 -214.144 121.339 GPRESSURE: 3548400 -164.257 -50.3394 -118.683 -133.104 47.7504 -71.317 -205.704 -248.377 52.5106 PRESSAVG: 3548400 -1.89715 -89.5888 -48.0553 -89.5888 3.91189 3.8781 -48.0553 3.87815 14.4313 GPRESSAVG: 3548400 -2.82715 -85.9969 -48.5064 -90.5172 5.58762 3.0202 -46.1824 3.38642 13.3507 TIMING: 3548400 CPU: 11278.7, 0.00322594/step Wall: 11278.7, 0.00322594/step, 1.30077 hours remaining, 239.835938 MB of memory in use. ENERGY: 3548400 3939.3154 20504.3844 14489.5682 246.7190 -203574.6526 2382.1674 0.0000 0.0000 51882.2084 -110130.2898 298.1678 -162012.4982 -109772.3785 298.0409 -48.9418 -21.3318 758902.8637 5.4820 5.3704 PRESSURE: 3548600 149.76 44.8386 25.0423 44.8387 117.012 -165.587 25.0422 -165.589 139.535 GPRESSURE: 3548600 139.247 116.027 -18.5758 -13.615 210.847 -99.2109 -1.33146 -112.064 151.409 PRESSAVG: 3548600 -5.46553 -25.4211 -44.932 -25.4211 22.1249 4.71883 -44.932 4.71887 24.8708 GPRESSAVG: 3548600 -2.81252 -28.7572 -45.8136 -24.9841 20.6271 6.00211 -46.1892 6.76144 24.4489 TIMING: 3548600 CPU: 11279.3, 0.00314369/step Wall: 11279.3, 0.00314369/step, 1.26743 hours remaining, 240.039062 MB of memory in use. ENERGY: 3548600 3923.9959 20540.7316 14465.3756 256.9376 -203370.9864 2222.7208 0.0000 0.0000 51906.9108 -110054.3141 298.3097 -161961.2249 -109695.7875 298.2181 135.4361 167.1676 758636.8168 13.8434 14.0878 PRESSURE: 3548800 -151.226 -217.884 -204.524 -217.885 -66.1205 -10.0879 -204.525 -10.089 324.848 GPRESSURE: 3548800 -89.5756 -243.704 -285.107 -290.012 14.5736 -71.9783 -162.204 19.7154 268.115 PRESSAVG: 3548800 31.6917 -41.8592 26.2229 -41.8592 -18.5848 7.0139 26.2229 7.01385 7.39214 GPRESSAVG: 3548800 30.2837 -38.4497 25.8734 -42.4487 -17.7563 6.74975 26.1771 6.00093 7.92242 TIMING: 3548800 CPU: 11279.9, 0.00314034/step Wall: 11279.9, 0.00314034/step, 1.26591 hours remaining, 240.039062 MB of memory in use. ENERGY: 3548800 3937.2922 20499.7215 14408.9383 249.0241 -203746.9322 2652.2511 0.0000 0.0000 51950.0165 -110049.6884 298.5575 -161999.7049 -109682.2054 298.6135 35.8340 64.3709 760225.5701 6.8330 6.8166 PRESSURE: 3549000 10.4839 2.53557 129.233 2.5356 -364.334 -71.4076 129.233 -71.4071 -54.3802 GPRESSURE: 3549000 -1.56387 25.5827 40.7204 -60.5228 -350.612 -118.725 100.664 -50.6178 13.7293 PRESSAVG: 3549000 51.766 -59.1095 33.94 -59.1095 -25.0867 -4.74173 33.94 -4.74175 -17.5494 GPRESSAVG: 3549000 51.6544 -59.8611 33.998 -58.9907 -25.4598 -5.50773 33.5813 -3.70811 -17.3535 TIMING: 3549000 CPU: 11280.5, 0.00314991/step Wall: 11280.5, 0.00314991/step, 1.26959 hours remaining, 240.039062 MB of memory in use. ENERGY: 3549000 4040.1975 20519.9353 14413.8020 246.7630 -203632.0564 2520.0179 0.0000 0.0000 51928.3237 -109963.0170 298.4328 -161891.3407 -109600.8310 298.1488 -136.0768 -112.8154 760572.0633 3.0433 2.9471 PRESSURE: 3549200 -231.591 4.31104 -12.4008 4.31081 48.7684 176.375 -12.4007 176.375 28.6533 GPRESSURE: 3549200 -152.3 8.82613 -1.1394 -103.331 69.2583 167.65 44.5303 160.509 41.8546 PRESSAVG: 3549200 3.83688 -39.4934 -17.2247 -39.4934 -13.5841 43.1795 -17.2247 43.1795 1.41914 GPRESSAVG: 3549200 3.31529 -39.5885 -16.8836 -40.8427 -13.8122 42.5415 -18.5229 43.7517 1.38783 TIMING: 3549200 CPU: 11281.2, 0.00315613/step Wall: 11281.2, 0.00315613/step, 1.27192 hours remaining, 240.039062 MB of memory in use. ENERGY: 3549200 4003.7175 20390.5862 14537.8616 261.3341 -203218.2979 2302.6813 0.0000 0.0000 51806.7506 -109915.3665 297.7341 -161722.1172 -109554.1087 298.6237 -51.3897 -13.7292 758843.8633 -2.7760 -3.0364 PRESSURE: 3549400 -211.427 -1.37956 126.789 -1.37898 166.137 38.8928 126.789 38.893 15.7907 GPRESSURE: 3549400 -162.774 32.6696 142.7 72.8824 146.782 42.0883 196.018 120.459 69.0201 PRESSAVG: 3549400 61.6289 3.00695 -5.77167 3.00683 -52.2588 47.4517 -5.77171 47.4517 14.7489 GPRESSAVG: 3549400 63.588 0.915879 -2.69932 4.16901 -52.8872 48.4754 -5.03849 46.7346 13.5293 TIMING: 3549400 CPU: 11281.8, 0.00317965/step Wall: 11281.8, 0.00317965/step, 1.28122 hours remaining, 240.039062 MB of memory in use. ENERGY: 3549400 3954.1568 20495.6987 14518.0749 233.3237 -203860.6808 2387.0814 0.0000 0.0000 52112.1156 -110160.2298 299.4890 -162272.3453 -109797.9748 298.6273 -9.8332 17.6761 757474.0008 8.0397 8.0767 PRESSURE: 3549600 -168.734 119.233 163.082 119.233 -145.148 152.766 163.082 152.766 -1.26559 GPRESSURE: 3549600 -81.6837 20.2743 101.305 97.9916 -89.357 92.8877 120.03 262.064 -50.3706 PRESSAVG: 3549600 -38.1478 -21.8019 -13.2736 -21.802 -5.42987 28.8211 -13.2735 28.8211 19.4027 GPRESSAVG: 3549600 -40.0407 -20.1909 -14.4338 -23.5884 -4.86041 28.8701 -12.262 29.5702 21.1024 TIMING: 3549600 CPU: 11282.4, 0.0031489/step Wall: 11282.4, 0.0031489/step, 1.26866 hours remaining, 240.039062 MB of memory in use. ENERGY: 3549600 4033.8317 20480.6726 14440.0596 241.5386 -203377.4524 2295.8219 0.0000 0.0000 51757.0413 -110128.4868 297.4484 -161885.5281 -109766.1953 297.7573 -105.0492 -73.8038 759572.6270 -8.0583 -7.9329 PRESSURE: 3549800 -510.066 -2.08556 -86.8204 -2.08508 -12.8774 -66.7427 -86.8206 -66.7433 -233.86 GPRESSURE: 3549800 -500.569 -30.2063 -44.1733 33.7454 50.0392 -100.589 -85.6921 -118.098 -206.12 PRESSAVG: 3549800 -5.58409 24.9891 36.8403 24.9891 19.8976 20.1294 36.8403 20.1294 5.04246 GPRESSAVG: 3549800 -5.7211 24.2242 37.0137 26.2831 20.3759 20.8585 34.1874 18.3856 4.49668 TIMING: 3549800 CPU: 11283.1, 0.00314818/step Wall: 11283.1, 0.00314818/step, 1.26819 hours remaining, 240.039062 MB of memory in use. ENERGY: 3549800 3962.5372 20487.0128 14473.6918 234.4696 -203534.5284 2512.2697 0.0000 0.0000 51840.4351 -110024.1120 297.9277 -161864.5472 -109656.8278 298.7071 -252.2678 -218.8830 759513.1629 6.4520 6.3838 PRESSURE: 3550000 -199.584 -234.602 -208.899 -234.601 80.0486 87.3067 -208.898 87.3071 369.723 GPRESSURE: 3550000 -192.465 -169.328 -238.963 -168.325 54.2443 105.377 -73.5662 16.6392 455.99 PRESSAVG: 3550000 -55.6533 -16.7417 16.1839 -16.7417 45.4119 39.0527 16.1839 39.0527 7.97664 GPRESSAVG: 3550000 -54.1173 -15.8181 15.4371 -15.4497 44.7882 38.1168 17.7325 40.0462 7.84358 TIMING: 3550000 CPU: 11283.7, 0.00315291/step Wall: 11283.7, 0.00315291/step, 1.26992 hours remaining, 240.039062 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: 3550000 4047.3638 20744.9456 14440.0561 246.4084 -203792.7802 2567.6924 0.0000 0.0000 51862.4237 -109883.8902 298.0541 -161746.3139 -109526.0157 298.6506 83.3957 105.9230 759246.1950 -0.7549 -0.4952 PRESSURE: 3550200 147.554 117.122 -78.5078 117.122 213.717 85.4261 -78.5078 85.4265 -381.899 GPRESSURE: 3550200 208.15 79.6993 -16.4597 87.4415 179.519 130.968 21.3395 68.2662 -334.502 PRESSAVG: 3550200 13.0334 43.3545 48.0735 43.3545 -2.13882 70.9991 48.0735 70.9991 -1.39489 GPRESSAVG: 3550200 13.2747 41.3641 46.9813 42.7768 -1.95619 70.786 48.7952 71.3863 -1.47123 TIMING: 3550200 CPU: 11284.3, 0.00316366/step Wall: 11284.3, 0.00316366/step, 1.27408 hours remaining, 240.039062 MB of memory in use. ENERGY: 3550200 4046.6142 20738.5782 14489.2584 257.4130 -203772.1539 2805.6228 0.0000 0.0000 51626.4394 -109808.2280 296.6979 -161434.6674 -109458.8895 298.7566 -6.8758 17.7221 760761.8656 3.1666 3.2824 PRESSURE: 3550400 -38.3494 125.392 186.632 125.392 367.943 3.27991 186.633 3.28085 -156.435 GPRESSURE: 3550400 -1.74705 180.668 83.085 138.525 401.573 38.8931 105.355 -0.942301 -145.928 PRESSAVG: 3550400 -22.0808 40.0838 15.6804 40.0839 6.80374 10.8914 15.6804 10.8914 -2.88862 GPRESSAVG: 3550400 -21.8034 40.9649 16.9166 39.2717 7.60141 11.4034 15.5095 10.1965 -3.38294 TIMING: 3550400 CPU: 11285, 0.00317123/step Wall: 11285, 0.00317123/step, 1.27695 hours remaining, 240.039062 MB of memory in use. ENERGY: 3550400 3957.7420 20402.9889 14465.3963 244.0925 -203160.0874 2449.6628 0.0000 0.0000 52023.4055 -109616.7993 298.9792 -161640.2048 -109256.1644 298.3666 57.7195 84.6329 761615.0289 -6.0552 -5.8617 PRESSURE: 3550600 12.227 162.954 -40.9561 162.955 -523.126 -172.98 -40.9561 -172.978 217.632 GPRESSURE: 3550600 88.1301 70.4933 -53.0684 125.241 -566.201 -156.284 -141.373 -272.777 277.725 PRESSAVG: 3550600 28.3488 -1.4249 9.19402 -1.42489 -19.5809 29.1538 9.194 29.1538 -9.9861 GPRESSAVG: 3550600 27.1909 -0.820815 10.064 -0.886302 -20.5416 29.3614 8.10714 27.2535 -8.19906 TIMING: 3550600 CPU: 11285.6, 0.00317191/step Wall: 11285.6, 0.00317191/step, 1.27704 hours remaining, 240.039062 MB of memory in use. ENERGY: 3550600 3978.9013 20623.8085 14522.0587 262.7678 -202851.9226 2093.2196 0.0000 0.0000 51753.4781 -109617.6885 297.4279 -161371.1666 -109252.0421 298.6566 -97.7555 -66.7819 759206.7383 -0.4061 -0.5166 PRESSURE: 3550800 -243.675 -91.5188 157.875 -91.5184 -414.609 25.2735 157.876 25.2732 -664.826 GPRESSURE: 3550800 -211.857 -232.55 236.879 -11.0647 -363.416 79.0102 -68.2804 40.2169 -681.143 PRESSAVG: 3550800 4.26648 -47.5651 -12.6695 -47.5651 -12.7018 19.4395 -12.6695 19.4395 -9.15279 GPRESSAVG: 3550800 4.1103 -48.546 -14.6927 -47.0029 -11.8289 18.2923 -12.6528 22.3197 -9.93077 TIMING: 3550800 CPU: 11286.2, 0.00314274/step Wall: 11286.2, 0.00314274/step, 1.26513 hours remaining, 240.039062 MB of memory in use. ENERGY: 3550800 4033.8270 20580.8111 14502.5721 240.2872 -203095.6802 2266.0680 0.0000 0.0000 51956.4957 -109515.6191 298.5947 -161472.1147 -109151.6255 299.0031 -441.0366 -418.8053 760273.6158 -5.8627 -5.8831 PRESSURE: 3551000 21.4778 26.6295 97.5958 26.63 -180.937 176.697 97.5956 176.697 78.8244 GPRESSURE: 3551000 29.7762 127.714 46.2214 -181.488 -95.6356 112.709 -6.94114 145.287 78.5723 PRESSAVG: 3551000 -1.61108 1.61853 73.7049 1.61848 13.7146 -8.90172 73.705 -8.90159 -7.35723 GPRESSAVG: 3551000 -1.55336 2.08195 74.7127 1.20883 13.9145 -10.1617 73.7514 -7.26139 -7.04177 TIMING: 3551000 CPU: 11286.9, 0.00317951/step Wall: 11286.9, 0.00317951/step, 1.27975 hours remaining, 240.039062 MB of memory in use. ENERGY: 3551000 4051.2106 20448.2505 14502.9823 236.6948 -203629.4120 2637.3947 0.0000 0.0000 52292.2941 -109460.5851 300.5245 -161752.8791 -109089.0533 299.5587 -26.8783 4.2376 759537.1647 1.5821 1.7731 PRESSURE: 3551200 358.169 39.0706 282.29 39.0699 432.732 -33.3075 282.29 -33.3078 293.095 GPRESSURE: 3551200 447.252 76.2179 336.837 54.8363 412.27 -83.2597 261.35 -80.7023 309.815 PRESSAVG: 3551200 13.5444 -23.9279 14.288 -23.928 -38.2212 -4.15149 14.288 -4.15158 7.85065 GPRESSAVG: 3551200 13.699 -25.2003 14.0541 -22.4448 -37.5205 -1.29258 14.9605 -9.28117 7.38414 TIMING: 3551200 CPU: 11287.5, 0.00316753/step Wall: 11287.5, 0.00316753/step, 1.27476 hours remaining, 240.039062 MB of memory in use. ENERGY: 3551200 3896.7005 20615.2483 14434.6158 259.1799 -203689.4476 2822.7144 0.0000 0.0000 52175.7237 -109485.2651 299.8546 -161660.9888 -109122.6544 299.4115 361.3321 389.7788 759570.4636 -5.6087 -5.4791 PRESSURE: 3551400 -12.9332 -389.31 213.21 -389.309 350.22 -23.1096 213.21 -23.1093 -117.409 GPRESSURE: 3551400 167.723 -354.049 215.745 -368.741 320.095 -1.24108 99.201 43.3915 -172.578 PRESSAVG: 3551400 25.1894 -54.2857 19.0079 -54.2857 -43.3623 3.77412 19.0079 3.77406 10.2254 GPRESSAVG: 3551400 25.8379 -54.3055 18.8146 -53.1045 -42.9644 2.45335 19.6002 6.4745 9.14449 TIMING: 3551400 CPU: 11288.1, 0.00318447/step Wall: 11288.1, 0.00318447/step, 1.2814 hours remaining, 240.039062 MB of memory in use. ENERGY: 3551400 4087.1161 20487.5619 14524.7631 240.0465 -203370.9792 2447.7536 0.0000 0.0000 52133.5063 -109450.2315 299.6120 -161583.7379 -109085.3833 299.5077 73.2928 105.0799 759351.4413 -2.6492 -2.6607 PRESSURE: 3551600 2.37785 131.608 -154.645 131.608 306.953 -200.377 -154.645 -200.378 233.363 GPRESSURE: 3551600 157.832 136.144 -94.7444 12.6645 241.608 -43.6299 -134.344 -263.115 253.609 PRESSAVG: 3551600 -3.38573 -66.1672 22.3151 -66.1673 -13.5162 34.0819 22.3151 34.0818 0.991313 GPRESSAVG: 3551600 -3.32383 -63.5513 23.2302 -69.1566 -14.6665 35.6809 24.2252 33.6023 2.61747 TIMING: 3551600 CPU: 11288.8, 0.00316377/step Wall: 11288.8, 0.00316377/step, 1.27289 hours remaining, 240.039062 MB of memory in use. ENERGY: 3551600 4005.9584 20544.1780 14492.5661 247.6206 -203538.6795 2660.9730 0.0000 0.0000 52028.9904 -109558.3932 299.0113 -161587.3835 -109194.7508 299.4067 180.8977 217.6830 760727.4565 -5.3035 -5.1243 PRESSURE: 3551800 -38.449 -118.327 57.5688 -118.328 31.2747 -70.193 57.5684 -70.1924 -141.452 GPRESSURE: 3551800 -108.101 -201.708 9.13967 -225.121 118.217 -42.0331 42.1364 -181.003 -56.4168 PRESSAVG: 3551800 -6.8843 -30.6286 17.8948 -30.6286 38.6378 25.6586 17.8947 25.6586 -16.3276 GPRESSAVG: 3551800 -8.1021 -32.8262 19.2926 -28.5759 39.3845 23.6745 15.7106 25.7902 -15.7383 TIMING: 3551800 CPU: 11289.4, 0.00314231/step Wall: 11289.4, 0.00314231/step, 1.26408 hours remaining, 240.039062 MB of memory in use. ENERGY: 3551800 3947.7122 20461.0842 14531.5753 239.8806 -202861.7242 2255.2925 0.0000 0.0000 51799.4453 -109626.7341 297.6921 -161426.1794 -109272.4105 298.9446 -49.5422 -15.4335 761447.2252 5.1420 5.1814 PRESSURE: 3552000 111.882 38.6749 -119.799 38.6754 180.38 -121.515 -119.8 -121.515 328.219 GPRESSURE: 3552000 173.656 103.39 -50.4736 40.7171 211.39 -134.619 -75.8492 -47.5755 328.944 PRESSAVG: 3552000 -52.6109 -36.3646 48.9084 -36.3647 55.5397 -10.7716 48.9084 -10.7716 -16.2459 GPRESSAVG: 3552000 -51.0692 -35.8402 47.8043 -38.0721 54.5126 -10.2127 48.663 -11.1591 -17.3734 TIMING: 3552000 CPU: 11290, 0.00314988/step Wall: 11290, 0.00314988/step, 1.26695 hours remaining, 240.039062 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: 3552000 3963.3994 20562.7021 14539.9210 250.4700 -203108.9587 2370.4764 0.0000 0.0000 52173.2910 -109248.6989 299.8406 -161421.9899 -108891.9079 299.0750 206.8271 237.9967 759278.4098 -4.4390 -4.6433 PRESSURE: 3552200 -112.786 -17.4745 117.96 -17.4752 327.438 -221.477 117.96 -221.476 325.097 GPRESSURE: 3552200 -33.6993 -19.8507 117.951 -3.63626 348.575 -280.106 151.188 -90.6143 313.898 PRESSAVG: 3552200 19.7935 80.5306 -11.4708 80.5306 -14.4379 -34.9026 -11.4709 -34.9027 28.3953 GPRESSAVG: 3552200 19.1137 82.0143 -9.92811 80.9487 -14.647 -34.9336 -10.4129 -33.5844 29.3161 TIMING: 3552200 CPU: 11290.7, 0.00314975/step Wall: 11290.7, 0.00314975/step, 1.26672 hours remaining, 240.039062 MB of memory in use. ENERGY: 3552200 3979.8215 20500.8983 14511.5751 251.3331 -203169.3800 2386.0706 0.0000 0.0000 52245.7880 -109293.8935 300.2573 -161539.6815 -108934.0955 300.0552 179.9163 209.5912 760790.1306 11.2503 11.2609 LDB: ============= START OF LOAD BALANCING ============== 11303.1 LDB: ============== END OF LOAD BALANCING =============== 11303.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11303.1 LDB: ============= START OF LOAD BALANCING ============== 11303.4 LDB: Largest compute 7032 load 0.034261 is 17.5% of average load 0.195355 LDB: Average compute 0.004382 is 2.2% of average load 0.195355 LDB: TIME 11303.4 LOAD: AVG 0.195355 MAX 0.214852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.891 MB LDB: TIME 11303.4 LOAD: AVG 0.195355 MAX 0.214852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.891 MB LDB: TIME 11303.4 LOAD: AVG 0.195355 MAX 0.214852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.891 MB LDB: ============== END OF LOAD BALANCING =============== 11303.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11303.4 PRESSURE: 3552400 63.8554 -16.3122 79.266 -16.3122 116.865 107.189 79.2662 107.188 -205.594 GPRESSURE: 3552400 137.129 -32.1515 34.3871 85.5678 116.695 51.1513 15.7867 83.867 -214.075 PRESSAVG: 3552400 -0.3015 8.66044 22.1342 8.66047 31.5309 -29.2236 22.1342 -29.2236 0.257988 GPRESSAVG: 3552400 -0.425686 6.76632 23.2602 11.3577 32.7116 -29.2245 19.6221 -30.7535 -0.648704 TIMING: 3552400 CPU: 11291.3, 0.00321609/step Wall: 11291.3, 0.00321609/step, 1.29322 hours remaining, 241.890625 MB of memory in use. ENERGY: 3552400 3993.8071 20471.2627 14504.1460 251.3328 -203031.0856 2371.9948 0.0000 0.0000 52187.7566 -109250.7854 299.9238 -161438.5421 -108897.0278 300.1919 -8.2912 13.2496 761335.8562 10.4958 10.5457 PRESSURE: 3552600 -50.5844 72.0401 166.458 72.0401 54.0641 103.772 166.457 103.773 54.7844 GPRESSURE: 3552600 15.4604 35.7666 143.515 -8.73045 114.601 61.835 3.5082 149.081 18.1401 PRESSAVG: 3552600 8.48789 8.45965 48.898 8.45968 -7.37007 44.7905 48.898 44.7906 10.1333 GPRESSAVG: 3552600 7.83406 9.00584 47.0151 5.51758 -7.12166 45.1343 50.1202 45.0543 10.4909 TIMING: 3552600 CPU: 11291.9, 0.00314866/step Wall: 11291.9, 0.00314866/step, 1.26594 hours remaining, 242.035156 MB of memory in use. ENERGY: 3552600 3933.0737 20450.3929 14550.9327 222.1380 -203522.6767 2736.4369 0.0000 0.0000 52427.9836 -109201.7190 301.3043 -161629.7026 -108834.2372 300.0995 19.4213 49.4004 760819.4151 3.7504 3.7344 PRESSURE: 3552800 -215.914 120.417 -3.91128 120.417 170.837 -12.105 -3.91048 -12.1062 7.54085 GPRESSURE: 3552800 -86.9665 117.974 86.6184 120.649 119.192 49.5228 4.5569 -76.0788 19.2979 PRESSAVG: 3552800 40.2415 -24.5987 20.5982 -24.5986 -1.41722 -31.1674 20.5982 -31.1673 -11.4865 GPRESSAVG: 3552800 40.6217 -25.9734 21.4875 -22.7999 -1.75639 -31.6108 20.6028 -31.7734 -11.5875 TIMING: 3552800 CPU: 11292.6, 0.00314855/step Wall: 11292.6, 0.00314855/step, 1.26572 hours remaining, 242.035156 MB of memory in use. ENERGY: 3552800 3930.3819 20652.1410 14537.2548 251.1759 -202854.0058 2190.9084 0.0000 0.0000 52179.5720 -109112.5719 299.8767 -161292.1439 -108742.7402 300.1630 -12.5122 17.1746 760990.8545 9.1126 9.0926 PRESSURE: 3553000 -290.383 -190.74 -220.16 -190.741 89.0419 -67.5633 -220.161 -67.5631 -212.336 GPRESSURE: 3553000 -191.192 -201.535 -199.188 -176.75 31.3836 -5.25986 -173.955 -94.5865 -160.902 PRESSAVG: 3553000 -3.12352 -2.32963 56.3398 -2.32958 34.9463 -11.5759 56.3397 -11.5758 27.3354 GPRESSAVG: 3553000 -1.89207 -0.762018 55.6488 -3.99942 34.3974 -9.60995 56.0413 -10.3299 26.3307 TIMING: 3553000 CPU: 11293.2, 0.00315763/step Wall: 11293.2, 0.00315764/step, 1.26919 hours remaining, 242.035156 MB of memory in use. ENERGY: 3553000 4007.6680 20464.1597 14517.0640 244.8748 -203077.8251 2490.3816 0.0000 0.0000 52237.2071 -109116.4700 300.2079 -161353.6771 -108753.5832 300.2073 -137.8923 -106.9038 762995.5957 19.7194 19.6120 PRESSURE: 3553200 370.103 225.292 -202.79 225.292 113.873 -102.564 -202.791 -102.564 -65.4471 GPRESSURE: 3553200 385.721 167.805 -101.188 236.554 67.4872 -205.17 -284.75 -99.4629 57.5177 PRESSAVG: 3553200 7.06697 12.604 0.0135036 12.6041 -28.1612 -25.1108 0.0134984 -25.1108 1.25866 GPRESSAVG: 3553200 5.57294 11.9523 0.15922 14.7331 -28.3645 -25.4823 1.02143 -25.0628 3.13998 TIMING: 3553200 CPU: 11293.8, 0.00314101/step Wall: 11293.8, 0.00314101/step, 1.26234 hours remaining, 242.035156 MB of memory in use. ENERGY: 3553200 3984.5891 20678.9226 14456.6011 265.3583 -203463.5484 2871.4625 0.0000 0.0000 52149.7264 -109056.8884 299.7052 -161206.6148 -108695.5133 300.5111 139.5097 170.2419 761993.2728 -6.6119 -6.5505 PRESSURE: 3553400 -315.403 -57.5882 -167.257 -57.5887 -96.997 93.7976 -167.257 93.7969 -190.428 GPRESSURE: 3553400 -212.883 -95.6998 -106.732 -17.5817 -35.511 156.532 -121.436 65.3895 -274.888 PRESSAVG: 3553400 43.2373 -13.7325 33.0009 -13.7325 -39.7732 38.8534 33.0009 38.8534 -2.51644 GPRESSAVG: 3553400 43.8987 -12.9796 33.6333 -15.9574 -38.5453 37.5082 33.0542 38.7348 -4.4452 TIMING: 3553400 CPU: 11294.5, 0.0031579/step Wall: 11294.5, 0.0031579/step, 1.26895 hours remaining, 242.035156 MB of memory in use. ENERGY: 3553400 3986.5387 20613.6502 14480.0639 239.0035 -203045.9650 2262.0902 0.0000 0.0000 52128.2286 -109336.3898 299.5816 -161464.6184 -108966.2946 300.1678 -200.9426 -174.4275 761971.2460 0.3159 0.3027 PRESSURE: 3553600 5.50641 277.676 -98.1967 277.676 60.6257 -107.612 -98.1961 -107.613 -49.4071 GPRESSURE: 3553600 61.3662 236.073 -92.1984 310.468 26.1575 -26.1699 -59.2515 85.8135 12.454 PRESSAVG: 3553600 2.02605 13.291 33.3865 13.291 -17.9748 -23.3862 33.3865 -23.3862 7.62015 GPRESSAVG: 3553600 3.29748 13.1327 31.442 14.1366 -18.98 -22.0118 34.809 -23.2149 7.28523 TIMING: 3553600 CPU: 11295.1, 0.0031409/step Wall: 11295.1, 0.0031409/step, 1.26194 hours remaining, 242.035156 MB of memory in use. ENERGY: 3553600 4016.1460 20503.1878 14506.6435 264.5569 -203832.3739 2745.6799 0.0000 0.0000 52283.7609 -109512.3989 300.4755 -161796.1598 -109151.7536 299.6800 5.5750 33.3259 761015.9910 -2.7762 -2.7991 PRESSURE: 3553800 -140.226 -157.567 118.225 -157.567 144.13 -308.888 118.225 -308.887 298.401 GPRESSURE: 3553800 -105.656 -83.3397 144.952 -118.232 191.819 -300.239 -27.0705 -264.755 308.492 PRESSAVG: 3553800 -17.27 25.3541 7.17008 25.3541 29.425 -65.8144 7.17008 -65.8143 0.477315 GPRESSAVG: 3553800 -17.639 26.0517 7.3535 25.6898 28.7092 -66.9657 5.27696 -65.0276 1.56346 TIMING: 3553800 CPU: 11295.7, 0.00314817/step Wall: 11295.7, 0.00314817/step, 1.26469 hours remaining, 242.035156 MB of memory in use. ENERGY: 3553800 4033.6850 20511.5717 14481.4342 249.1928 -203607.5482 2651.8194 0.0000 0.0000 52064.3160 -109615.5291 299.2143 -161679.8451 -109240.0745 299.9032 100.7686 131.5521 760946.2517 4.2108 4.2112 PRESSURE: 3554000 -278.414 -144.71 23.6833 -144.71 -264.659 -56.7804 23.6837 -56.7807 -253.666 GPRESSURE: 3554000 -222.49 -79.8719 7.28668 -144.196 -229.839 -128.69 194.381 -139.938 -271.766 PRESSAVG: 3554000 24.393 5.3949 7.03627 5.39495 -41.1921 12.6184 7.03629 12.6183 -29.6622 GPRESSAVG: 3554000 22.4239 3.87583 7.36503 4.58792 -38.8308 13.514 8.06137 12.1307 -29.8606 TIMING: 3554000 CPU: 11296.3, 0.00317404/step Wall: 11296.3, 0.00317404/step, 1.27491 hours remaining, 242.035156 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: 3554000 3991.0559 20586.3149 14388.8884 239.5488 -203774.4881 2550.0544 0.0000 0.0000 52301.4363 -109717.1893 300.5771 -162018.6256 -109352.3423 299.0478 -265.5793 -241.3649 761603.6023 -15.4871 -15.4225 PRESSURE: 3554200 -90.5658 49.9845 53.3235 49.984 32.8439 41.1108 53.3237 41.1113 121.085 GPRESSURE: 3554200 -155.111 21.6276 94.4556 87.908 94.0892 -7.21768 57.8117 34.9925 204.39 PRESSAVG: 3554200 1.70104 -27.9614 32.8644 -27.9614 6.88004 -21.5751 32.8644 -21.575 17.7309 GPRESSAVG: 3554200 3.38179 -29.3311 34.5228 -26.7933 4.18425 -22.3045 31.5668 -21.9069 18.2297 TIMING: 3554200 CPU: 11297, 0.00317603/step Wall: 11297, 0.00317603/step, 1.27553 hours remaining, 242.035156 MB of memory in use. ENERGY: 3554200 4050.7588 20643.9116 14411.4351 246.1362 -203818.8990 2771.5286 0.0000 0.0000 52132.9470 -109562.1817 299.6088 -161695.1286 -109198.1854 299.3722 21.1209 47.7895 762426.6661 8.7707 8.5986 PRESSURE: 3554400 120.411 -79.0194 -202.407 -79.0204 84.0378 63.3217 -202.408 63.3206 -51.2003 GPRESSURE: 3554400 164.851 42.9367 -146.48 -135.692 48.4768 12.1188 -31.3473 30.6796 45.4279 PRESSAVG: 3554400 -20.6362 -26.1636 22.8955 -26.1637 35.8624 -31.5579 22.8955 -31.558 -14.6515 GPRESSAVG: 3554400 -21.5328 -23.6347 23.1357 -27.507 37.4235 -31.8003 23.2454 -31.1424 -14.2472 TIMING: 3554400 CPU: 11297.6, 0.00314807/step Wall: 11297.6, 0.00314807/step, 1.26412 hours remaining, 242.035156 MB of memory in use. ENERGY: 3554400 4050.8292 20574.3880 14410.0662 253.8007 -203656.1112 2814.1322 0.0000 0.0000 52084.4710 -109468.4239 299.3302 -161552.8949 -109103.0124 299.3145 51.0830 86.2518 761355.2023 0.1916 0.5478 PRESSURE: 3554600 85.4469 246.273 84.7536 246.273 -152.148 125.138 84.7526 125.137 102.231 GPRESSURE: 3554600 115.469 168.26 67.2267 221.865 -43.4949 52.4304 -55.5215 160.595 51.3199 PRESSAVG: 3554600 64.0033 8.44052 12.5628 8.44051 11.0268 15.7585 12.5629 15.7585 1.67483 GPRESSAVG: 3554600 65.4714 8.53709 10.2298 8.826 9.87019 16.9078 12.7598 15.7279 1.59776 TIMING: 3554600 CPU: 11298.2, 0.00314867/step Wall: 11298.2, 0.00314867/step, 1.26419 hours remaining, 242.035156 MB of memory in use. ENERGY: 3554600 3968.3249 20610.2801 14499.2948 251.7440 -203776.0290 2777.0186 0.0000 0.0000 52105.8665 -109563.5001 299.4531 -161669.3665 -109196.7335 299.4890 11.8436 41.0981 760918.8686 25.5683 25.6464 PRESSURE: 3554800 305.041 -73.8931 64.2255 -73.8924 -23.6967 -100.535 64.2257 -100.535 -264.461 GPRESSURE: 3554800 237.087 -209.206 56.3212 -106.04 19.0975 -48.4742 176.608 -47.814 -169.942 PRESSAVG: 3554800 -13.5709 -30.9916 -24.7975 -30.9915 -29.8873 12.3534 -24.7975 12.3534 34.8661 GPRESSAVG: 3554800 -14.9385 -32.318 -23.4736 -29.8545 -29.7111 12.2906 -23.7929 9.99131 35.946 TIMING: 3554800 CPU: 11298.9, 0.00316504/step Wall: 11298.9, 0.00316504/step, 1.27059 hours remaining, 242.035156 MB of memory in use. ENERGY: 3554800 3999.6870 20548.9863 14476.7330 244.4598 -203547.9882 2473.0564 0.0000 0.0000 52209.0761 -109595.9896 300.0463 -161805.0658 -109218.4584 299.5614 5.6275 28.7474 761741.6581 -2.8641 -2.9012 PRESSURE: 3555000 7.63418 66.419 57.7817 66.4189 -123.511 63.1152 57.782 63.1146 53.7625 GPRESSURE: 3555000 -34.06 18.4675 90.6766 74.8549 -90.8068 -13.7829 -2.03466 87.2579 143.409 PRESSAVG: 3555000 49.0181 -21.3312 -22.6803 -21.3311 -17.9555 -2.47761 -22.6804 -2.47753 -21.284 GPRESSAVG: 3555000 49.8308 -23.8121 -22.3744 -22.5936 -17.0739 -4.17133 -23.7257 -0.317174 -23.0251 TIMING: 3555000 CPU: 11299.5, 0.00314765/step Wall: 11299.5, 0.00314765/step, 1.26343 hours remaining, 242.035156 MB of memory in use. ENERGY: 3555000 3956.8714 20514.7457 14414.9964 241.3844 -203606.9838 2678.7410 0.0000 0.0000 51895.8236 -109904.4213 298.2460 -161800.2449 -109550.8702 299.2559 -20.7049 6.1807 762343.7819 3.2595 3.2439 PRESSURE: 3555200 321.395 -56.0913 245.025 -56.091 266.378 111.998 245.025 111.998 -99.0799 GPRESSURE: 3555200 370.753 10.4047 184.611 32.2749 307.997 56.2139 322.896 42.4053 -106.117 PRESSAVG: 3555200 -4.64093 -50.063 27.6505 -50.0631 0.522898 33.4191 27.6506 33.4189 -7.58792 GPRESSAVG: 3555200 -5.69526 -46.7145 28.5627 -49.1045 1.20987 31.7693 29.3868 33.8783 -7.0646 TIMING: 3555200 CPU: 11300.1, 0.00314418/step Wall: 11300.1, 0.00314418/step, 1.26187 hours remaining, 242.035156 MB of memory in use. ENERGY: 3555200 4004.0648 20633.3757 14418.9044 256.7740 -203946.9310 2811.4579 0.0000 0.0000 51945.0723 -109877.2820 298.5290 -161822.3543 -109511.4336 298.3656 162.8978 190.8776 761217.8672 -3.9020 -3.8500 PRESSURE: 3555400 -131.779 -92.925 17.2453 -92.9248 159.329 159.929 17.2453 159.929 -138.882 GPRESSURE: 3555400 -55.5115 -73.9502 10.8904 82.507 155.695 201.509 -29.655 29.4082 -136.101 PRESSAVG: 3555400 17.2225 40.7934 -24.2103 40.7934 10.9628 13.1347 -24.2102 13.1347 16.4124 GPRESSAVG: 3555400 18.5943 40.5113 -24.6755 37.6773 9.91932 15.2735 -23.9869 10.4127 15.9276 TIMING: 3555400 CPU: 11300.8, 0.00315597/step Wall: 11300.8, 0.00315597/step, 1.26642 hours remaining, 242.035156 MB of memory in use. ENERGY: 3555400 4047.4099 20587.8373 14510.7307 230.5900 -203936.2603 2562.4095 0.0000 0.0000 52104.4214 -109892.8616 299.4448 -161997.2830 -109532.0133 298.7316 -37.1107 -11.9728 759610.3383 14.8659 14.8137 PRESSURE: 3555600 137.055 -82.8416 -54.0188 -82.8405 68.3514 27.8254 -54.0195 27.8253 610.787 GPRESSURE: 3555600 161.67 45.3205 -83.1319 -51.6818 186.514 42.9584 -49.02 134.514 546.2 PRESSAVG: 3555600 39.8797 -58.7648 -32.8527 -58.7648 -44.7575 22.3709 -32.8526 22.3709 -8.40291 GPRESSAVG: 3555600 40.0711 -57.6955 -34.3357 -56.7953 -45.1139 22.5289 -34.1225 25.2467 -8.40158 TIMING: 3555600 CPU: 11301.4, 0.00314551/step Wall: 11301.4, 0.00314551/step, 1.26205 hours remaining, 242.035156 MB of memory in use. ENERGY: 3555600 4044.5202 20561.0882 14491.9746 242.7061 -203918.2761 2663.5942 0.0000 0.0000 51892.6673 -110021.7256 298.2279 -161914.3928 -109672.3011 298.7197 272.0643 298.1281 758789.3733 -4.4269 -4.4815 PRESSURE: 3555800 -127.392 -107.507 -171.693 -107.506 -171.95 137.699 -171.694 137.7 -389.82 GPRESSURE: 3555800 -5.60984 -227.74 -158.903 -183.652 -262.532 87.0465 -8.44714 87.6931 -351.223 PRESSAVG: 3555800 36.0002 20.3344 -18.3 20.3345 -53.4627 9.41294 -18.3001 9.41288 0.64594 GPRESSAVG: 3555800 35.5935 18.5701 -16.7758 20.6504 -53.8686 9.32488 -19.1598 8.03005 0.636311 TIMING: 3555800 CPU: 11302, 0.00314541/step Wall: 11302, 0.00314541/step, 1.26183 hours remaining, 242.035156 MB of memory in use. ENERGY: 3555800 3994.9035 20484.9564 14399.9956 255.9068 -203765.4443 2371.8931 0.0000 0.0000 52166.7897 -110090.9992 299.8033 -162257.7890 -109728.3489 298.3828 -229.7205 -206.4552 760447.4629 -5.6055 -5.8796 PRESSURE: 3556000 -104.885 -40.0697 -7.68226 -40.0697 -393.569 123.61 -7.68159 123.61 -209.124 GPRESSURE: 3556000 -95.4292 -122.79 -5.21359 32.6359 -233.707 86.2586 67.8204 89.8344 -287.656 PRESSAVG: 3556000 5.39333 -3.09479 -22.7391 -3.09477 7.89758 -41.7685 -22.7391 -41.7685 0.773063 GPRESSAVG: 3556000 5.3498 -2.80858 -21.5544 -3.99627 7.96065 -40.0891 -23.7927 -42.1631 0.84891 TIMING: 3556000 CPU: 11302.6, 0.00315257/step Wall: 11302.6, 0.00315257/step, 1.26453 hours remaining, 242.035156 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: 3556000 3930.2804 20467.8181 14492.5113 262.5192 -203463.2161 2395.0404 0.0000 0.0000 52037.9289 -109877.1178 299.0627 -161915.0467 -109519.1254 298.5824 -235.8594 -205.5974 761155.2264 4.6880 4.7198 PRESSURE: 3556200 -78.9798 -27.6488 -55.7968 -27.6479 -179.595 2.47838 -55.7969 2.47857 -24.9118 GPRESSURE: 3556200 -33.2542 -117.541 -129.071 -106.615 -125.612 28.7441 18.8538 99.2832 -23.8249 PRESSAVG: 3556200 -19.1072 -13.348 -29.3608 -13.3481 -8.09929 -12.7471 -29.3608 -12.7471 8.52439 GPRESSAVG: 3556200 -19.6286 -12.4726 -29.5891 -13.5711 -6.9082 -14.1647 -28.6877 -11.8278 7.72991 TIMING: 3556200 CPU: 11303.3, 0.00315875/step Wall: 11303.3, 0.00315875/step, 1.26684 hours remaining, 242.035156 MB of memory in use. ENERGY: 3556200 4044.0019 20436.9809 14447.4761 235.3229 -203709.7387 2615.9256 0.0000 0.0000 51965.6861 -109964.3452 298.6475 -161930.0313 -109603.1836 299.0867 -94.4957 -60.8969 761388.9465 -6.2274 -6.2689 LDB: ============= START OF LOAD BALANCING ============== 11315.7 LDB: ============== END OF LOAD BALANCING =============== 11315.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11315.7 LDB: ============= START OF LOAD BALANCING ============== 11316.1 LDB: Largest compute 7075 load 0.034278 is 17.5% of average load 0.195367 LDB: Average compute 0.004374 is 2.2% of average load 0.195367 LDB: TIME 11316.1 LOAD: AVG 0.195367 MAX 0.214841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 11316.1 LOAD: AVG 0.195367 MAX 0.214841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 11316.1 LOAD: AVG 0.195367 MAX 0.214841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 11316.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11316.1 PRESSURE: 3556400 -66.8806 26.6297 138.127 26.6296 210.288 -149.933 138.128 -149.933 -33.2119 GPRESSURE: 3556400 -13.8225 -12.6868 110.892 -94.8182 302.095 -213.54 201.181 -209.666 -99.2365 PRESSAVG: 3556400 -51.8799 43.5256 -46.572 43.5256 41.3569 -25.8825 -46.572 -25.8825 10.4445 GPRESSAVG: 3556400 -51.0956 43.9515 -48.0093 43.1224 41.4807 -26.8698 -46.4879 -26.8805 9.72443 TIMING: 3556400 CPU: 11303.9, 0.00323417/step Wall: 11303.9, 0.00323417/step, 1.2969 hours remaining, 239.527344 MB of memory in use. ENERGY: 3556400 3927.8565 20488.5209 14479.9661 235.6425 -203757.2420 2662.8872 0.0000 0.0000 51765.3513 -110197.0174 297.4962 -161962.3687 -109834.9655 298.3080 36.7320 63.0121 762823.6678 -0.0262 0.0365 PRESSURE: 3556600 -180.224 76.9193 161.086 76.9193 82.5244 -171.913 161.084 -171.913 -26.7338 GPRESSURE: 3556600 -92.7539 55.0449 83.3278 45.3628 67.1043 -190.206 143.663 -57.7361 -4.91381 PRESSAVG: 3556600 -2.08095 -8.56126 -42.6392 -8.56133 39.9273 31.0272 -42.6391 31.0271 4.86096 GPRESSAVG: 3556600 -2.54303 -8.91934 -42.5269 -9.15364 38.3539 32.2769 -41.3539 33.3231 7.04266 TIMING: 3556600 CPU: 11304.6, 0.00314237/step Wall: 11304.6, 0.00314237/step, 1.25991 hours remaining, 239.527344 MB of memory in use. ENERGY: 3556600 4053.1051 20621.8562 14560.4325 234.7965 -204068.5450 2805.4597 0.0000 0.0000 51618.2305 -110174.6645 296.6507 -161792.8950 -109832.2849 297.7363 -41.4778 -10.1878 761240.3185 14.2358 14.2845 PRESSURE: 3556800 -131.847 -12.5873 93.302 -12.5889 -117.382 -47.5059 93.3023 -47.5067 -467.467 GPRESSURE: 3556800 -26.2095 103.133 65.5416 -37.7085 -160.651 37.7693 30.9913 -119.209 -440.462 PRESSAVG: 3556800 25.3941 -9.52804 -32.2327 -9.52805 -34.1104 -45.9736 -32.2328 -45.9736 4.62647 GPRESSAVG: 3556800 25.4792 -9.88087 -31.2837 -8.10583 -33.2337 -46.6599 -30.5034 -48.4683 3.41488 TIMING: 3556800 CPU: 11305.2, 0.00313106/step Wall: 11305.2, 0.00313106/step, 1.25521 hours remaining, 239.527344 MB of memory in use. ENERGY: 3556800 3963.5157 20518.4164 14419.9551 250.5653 -203881.0622 2611.8303 0.0000 0.0000 52034.7633 -110082.0160 299.0445 -162116.7793 -109727.7069 297.9956 -238.8987 -209.1076 760918.5006 -1.3633 -1.4465 PRESSURE: 3557000 -113.592 -153.354 -201.26 -153.354 -139.109 83.1325 -201.259 83.1318 -255.585 GPRESSURE: 3557000 -11.2208 -102.387 -114.871 -166.123 -213.236 27.5347 -141.007 87.4443 -176.205 PRESSAVG: 3557000 -3.63867 17.4349 11.8951 17.4349 -6.62077 35.8461 11.8952 35.8461 16.2829 GPRESSAVG: 3557000 -2.82879 18.3705 11.4855 16.7225 -6.92056 37.0463 8.83713 35.3232 16.3793 TIMING: 3557000 CPU: 11305.8, 0.00316013/step Wall: 11305.8, 0.00316013/step, 1.26669 hours remaining, 239.527344 MB of memory in use. ENERGY: 3557000 4065.6191 20504.9434 14436.5031 245.2058 -203891.9247 2613.0299 0.0000 0.0000 51906.1713 -110120.4521 298.3055 -162026.6234 -109759.0744 298.2553 -169.4285 -133.5541 759986.1080 2.0078 2.2100 PRESSURE: 3557200 -0.873713 -156.641 75.6478 -156.642 -381.984 233.345 75.6481 233.345 307.931 GPRESSURE: 3557200 -24.7483 -239.356 -27.0109 -137.016 -289.492 193.177 -0.598387 195.247 316.632 PRESSAVG: 3557200 -14.3525 -40.0143 -48.7584 -40.0143 -11.3946 -0.464271 -48.7583 -0.464311 46.9572 GPRESSAVG: 3557200 -16.0037 -39.9622 -48.4757 -38.328 -10.2181 -1.45653 -46.7597 2.7362 47.1113 TIMING: 3557200 CPU: 11306.4, 0.00316264/step Wall: 11306.4, 0.00316264/step, 1.26752 hours remaining, 239.527344 MB of memory in use. ENERGY: 3557200 3876.3029 20467.2884 14529.6268 250.5520 -203517.4777 2386.1994 0.0000 0.0000 51980.1216 -110027.3866 298.7305 -162007.5082 -109670.8616 298.2688 -24.9755 0.7972 759812.8711 7.0701 6.9632 PRESSURE: 3557400 49.7732 153.671 -10.1861 153.671 155.514 -50.4973 -10.1867 -50.4965 342.882 GPRESSURE: 3557400 48.9824 113.513 -50.586 152.624 192.556 -72.9558 18.0656 -15.6106 422.127 PRESSAVG: 3557400 -49.4712 -13.1619 -7.9496 -13.162 23.5505 21.0736 -7.94966 21.0736 10.1383 GPRESSAVG: 3557400 -48.6956 -14.0734 -7.86434 -14.2705 22.4072 21.8436 -8.14492 20.1268 10.4516 TIMING: 3557400 CPU: 11307.1, 0.00314608/step Wall: 11307.1, 0.00314608/step, 1.2607 hours remaining, 239.527344 MB of memory in use. ENERGY: 3557400 3991.3011 20497.8140 14508.8264 246.7016 -203459.2704 2645.2666 0.0000 0.0000 51670.3138 -109899.0469 296.9500 -161569.3608 -109547.1327 298.2290 182.7231 221.2219 760873.6601 -5.2608 -5.2789 PRESSURE: 3557600 -347.838 -87.0868 -2.34505 -87.0866 -324.825 -40.4637 -2.34502 -40.4639 -117.274 GPRESSURE: 3557600 -268.876 -190.278 -55.9351 -39.8762 -264.286 12.5603 27.5093 -78.1619 -163.158 PRESSAVG: 3557600 -0.187932 -59.3453 -8.77533 -59.3453 -7.8037 25.6478 -8.77536 25.6479 3.28279 GPRESSAVG: 3557600 -0.718497 -60.3002 -9.31741 -60.223 -6.30159 25.6658 -8.11624 25.4449 2.17022 TIMING: 3557600 CPU: 11307.7, 0.00314978/step Wall: 11307.7, 0.00314978/step, 1.26201 hours remaining, 239.527344 MB of memory in use. ENERGY: 3557600 4016.8575 20319.7332 14443.6571 232.9435 -203467.9727 2657.1105 0.0000 0.0000 51738.6753 -110058.9955 297.3429 -161797.6708 -109692.5120 297.7548 -263.3124 -232.1066 762283.8460 -1.5696 -1.6166 PRESSURE: 3557800 -343.276 -118.345 207.737 -118.346 -94.9797 -169.196 207.737 -169.197 -58.2544 GPRESSURE: 3557800 -166.892 -97.3479 267.921 -101.127 -82.6984 -78.716 170.588 -65.0524 -158.626 PRESSAVG: 3557800 -5.0151 -56.0871 74.2903 -56.0871 -37.7915 12.378 74.2903 12.378 -7.56327 GPRESSAVG: 3557800 -4.30517 -57.6443 73.4824 -55.4329 -39.4392 12.9987 72.3419 12.3976 -6.76865 TIMING: 3557800 CPU: 11308.3, 0.00314761/step Wall: 11308.3, 0.00314761/step, 1.26097 hours remaining, 239.527344 MB of memory in use. ENERGY: 3557800 3965.7553 20442.4563 14529.0169 234.5237 -202655.2015 1902.2631 0.0000 0.0000 51594.2856 -109986.9006 296.5131 -161581.1862 -109622.8509 298.1522 -165.5034 -136.0720 761745.1167 -16.7899 -16.8377 PRESSURE: 3558000 -272.491 1.29397 190.282 1.29411 -124.389 80.1092 190.283 80.1099 -575.822 GPRESSURE: 3558000 -246.636 0.310613 181.886 72.1885 -126.92 58.7588 15.4942 8.7809 -530.995 PRESSAVG: 3558000 59.0846 -19.4254 51.3396 -19.4254 -20.9841 7.68968 51.3396 7.68968 -1.44138 GPRESSAVG: 3558000 59.4595 -15.7958 53.0449 -20.2536 -20.1643 6.38498 51.9275 8.9144 -3.03044 TIMING: 3558000 CPU: 11309, 0.00313566/step Wall: 11309, 0.00313566/step, 1.25601 hours remaining, 239.527344 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: 3558000 3932.9196 20519.2820 14517.7178 249.1816 -203432.6169 2594.7202 0.0000 0.0000 51754.1409 -109864.6547 297.4318 -161618.7956 -109513.8954 298.4840 -324.2341 -301.5169 760950.3104 12.2197 12.0883 PRESSURE: 3558200 71.1239 171.428 30.6442 171.429 -21.2508 -24.9773 30.644 -24.9774 -610.093 GPRESSURE: 3558200 49.776 194.854 81.3177 188.253 -19.2472 -78.0655 1.97907 24.1396 -506.514 PRESSAVG: 3558200 38.3831 -11.6848 21.4661 -11.6848 -25.1742 -1.45749 21.4661 -1.45751 17.4304 GPRESSAVG: 3558200 36.9809 -11.9518 20.3891 -11.4967 -24.5949 -0.713046 22.9212 -3.66865 17.9886 TIMING: 3558200 CPU: 11309.6, 0.00316107/step Wall: 11309.6, 0.00316107/step, 1.26601 hours remaining, 239.527344 MB of memory in use. ENERGY: 3558200 4021.2818 20389.8187 14468.6748 240.8445 -203252.9625 2380.6060 0.0000 0.0000 51947.8375 -109803.8992 298.5449 -161751.7367 -109447.0420 298.4652 -186.7400 -158.6618 759797.2692 10.2131 10.1249 PRESSURE: 3558400 162.37 -77.5491 -60.4382 -77.5498 435.428 75.9994 -60.4378 75.9985 51.0264 GPRESSURE: 3558400 254.745 -17.5617 -45.9298 -61.8104 428.834 -32.3121 -112.758 58.1547 65.68 PRESSAVG: 3558400 30.8209 36.9149 -15.1111 36.9149 9.69533 -45.5721 -15.111 -45.5721 8.74702 GPRESSAVG: 3558400 31.1606 36.7127 -14.5432 36.7774 8.6819 -46.2292 -17.2619 -45.5854 9.02527 TIMING: 3558400 CPU: 11310.2, 0.00313432/step Wall: 11310.2, 0.00313432/step, 1.25512 hours remaining, 239.527344 MB of memory in use. ENERGY: 3558400 3977.8626 20419.3764 14511.0932 249.0948 -203586.2900 2724.1508 0.0000 0.0000 51859.0215 -109845.6907 298.0345 -161704.7122 -109480.9001 298.6251 216.2746 249.7530 758980.1720 16.4211 16.2893 PRESSURE: 3558600 34.0758 279.661 216.602 279.661 13.3096 44.0454 216.602 44.0458 175.709 GPRESSURE: 3558600 60.4713 181.345 209.002 309.164 13.9166 -14.4057 275.312 -27.3983 239.096 PRESSAVG: 3558600 48.8462 59.4654 25.4152 59.4654 -34.4992 14.1146 25.4152 14.1146 -26.6012 GPRESSAVG: 3558600 49.4603 56.5198 25.2599 61.4169 -35.038 13.9159 27.086 13.8233 -26.78 TIMING: 3558600 CPU: 11310.9, 0.00314822/step Wall: 11310.9, 0.00314822/step, 1.26051 hours remaining, 239.527344 MB of memory in use. ENERGY: 3558600 4005.0343 20352.5589 14536.0281 243.4932 -203044.2388 2384.6161 0.0000 0.0000 51867.5678 -109654.9404 298.0836 -161522.5082 -109294.4299 298.3374 74.3647 104.4946 759288.2943 -4.0847 -4.1193 PRESSURE: 3558800 63.1687 219.454 -144.138 219.454 -179.803 -349.84 -144.137 -349.839 -239.537 GPRESSURE: 3558800 111.421 191.242 -120.568 347.56 -237.788 -312.415 -129.967 -303.234 -137.741 PRESSAVG: 3558800 -13.8237 20.4178 -48.4867 20.4178 -8.73697 21.0741 -48.4866 21.0741 -1.44093 GPRESSAVG: 3558800 -14.888 23.4639 -48.3349 17.4186 -8.10787 22.1259 -49.9645 21.7806 -0.734032 TIMING: 3558800 CPU: 11311.5, 0.00315607/step Wall: 11311.5, 0.00315607/step, 1.26348 hours remaining, 239.527344 MB of memory in use. ENERGY: 3558800 3995.4127 20487.5435 14437.0936 261.8107 -203261.0398 2404.4281 0.0000 0.0000 52200.5407 -109474.2104 299.9972 -161674.7511 -109121.0186 298.9493 -118.7240 -88.0359 761163.8614 -8.0005 -7.9099 PRESSURE: 3559000 -85.3821 -4.22688 29.0082 -4.22656 127.42 -45.3875 29.0079 -45.3883 -153.073 GPRESSURE: 3559000 41.6493 -20.9011 69.689 -100.125 80.6774 -47.3106 -37.5039 12.8326 -132.91 PRESSAVG: 3559000 -22.7792 -4.927 -29.2482 -4.927 -6.97963 67.4181 -29.2482 67.4182 -0.855414 GPRESSAVG: 3559000 -22.9323 -5.31154 -27.9195 -4.16957 -6.49277 66.6164 -28.3209 67.8791 -0.879476 TIMING: 3559000 CPU: 11312.1, 0.00315617/step Wall: 11312.1, 0.00315617/step, 1.26334 hours remaining, 239.527344 MB of memory in use. ENERGY: 3559000 3941.1822 20393.6797 14463.6859 246.4375 -203044.2829 2372.2422 0.0000 0.0000 52058.0756 -109568.9799 299.1785 -161627.0555 -109209.1810 298.8353 -37.0116 -3.5277 758986.4793 -10.2047 -10.1015 PRESSURE: 3559200 -400.658 64.9736 32.9721 64.9731 1.82196 -156.084 32.9722 -156.085 -460.535 GPRESSURE: 3559200 -254.463 23.821 83.29 -83.5567 -56.9565 -150.121 -83.6338 -116.968 -456.262 PRESSAVG: 3559200 7.59558 17.4053 -0.47234 17.4052 -59.518 13.5899 -0.472392 13.59 16.5969 GPRESSAVG: 3559200 9.03448 15.9701 -1.68139 18.6937 -59.7684 13.72 -0.98519 15.2642 15.5494 TIMING: 3559200 CPU: 11312.7, 0.00312722/step Wall: 11312.7, 0.00312722/step, 1.25158 hours remaining, 239.527344 MB of memory in use. ENERGY: 3559200 4105.5842 20504.8496 14445.9201 243.0823 -203012.4298 2209.4091 0.0000 0.0000 51823.8027 -109679.7817 297.8321 -161503.5844 -109329.0830 298.3768 -286.4573 -255.8938 759959.7301 -11.7752 -11.7282 PRESSURE: 3559400 -229.247 90.8336 -111.882 90.8338 38.3427 20.5405 -111.882 20.541 139.102 GPRESSURE: 3559400 -104.373 55.1613 -109.023 49.2527 18.7437 71.27 -53.7961 23.7084 125.172 PRESSAVG: 3559400 25.1286 -1.4033 -20.7853 -1.40325 -34.5195 -17.1904 -20.7852 -17.1904 15.2114 GPRESSAVG: 3559400 27.2022 -0.115598 -19.639 -3.67074 -35.4908 -17.1905 -21.1453 -18.7389 14.0081 TIMING: 3559400 CPU: 11313.4, 0.00313922/step Wall: 11313.4, 0.00313922/step, 1.25621 hours remaining, 239.527344 MB of memory in use. ENERGY: 3559400 3916.6595 20461.0058 14410.0155 258.9894 -203076.7575 2323.1757 0.0000 0.0000 52026.8565 -109680.0552 298.9991 -161706.9117 -109321.2568 299.0993 -17.2675 13.1809 760393.3712 1.9402 1.9065 PRESSURE: 3559600 -449.891 224.34 -29.258 224.341 -505.989 108.448 -29.2583 108.447 -437.096 GPRESSURE: 3559600 -448.252 185.68 -15.7135 242.613 -412.463 172.691 -42.6412 63.2953 -446.083 PRESSAVG: 3559600 8.07678 95.0938 -16.7728 95.0939 6.59571 -40.5701 -16.7728 -40.5701 -3.30298 GPRESSAVG: 3559600 5.84205 94.1162 -17.6881 95.7952 7.47011 -39.715 -15.4643 -40.6307 -2.06655 TIMING: 3559600 CPU: 11314, 0.00312718/step Wall: 11314, 0.00312718/step, 1.25122 hours remaining, 239.527344 MB of memory in use. ENERGY: 3559600 4047.6494 20551.0828 14380.3997 231.0827 -203071.9527 2278.5015 0.0000 0.0000 52027.4233 -109555.8134 299.0023 -161583.2368 -109198.9994 298.9353 -464.3251 -435.5992 760098.9821 3.7898 3.7485 PRESSURE: 3559800 -166.665 57.6436 -76.5548 57.6445 -6.09808 -266.83 -76.5554 -266.828 29.5417 GPRESSURE: 3559800 -75.2651 192.751 -51.2681 7.81658 -44.119 -220.241 -145.845 -158.989 50.5058 PRESSAVG: 3559800 22.9108 84.4374 -2.72162 84.4375 -19.8709 -29.1423 -2.72165 -29.1422 21.7887 GPRESSAVG: 3559800 22.8268 85.3584 -1.12738 83.4117 -20.3742 -28.2382 -4.24056 -29.9882 21.9186 TIMING: 3559800 CPU: 11314.6, 0.00311992/step Wall: 11314.6, 0.00311992/step, 1.24814 hours remaining, 239.527344 MB of memory in use. ENERGY: 3559800 3888.6192 20455.1356 14493.6094 248.3837 -202837.8030 2231.5630 0.0000 0.0000 51792.9402 -109727.5518 297.6547 -161520.4921 -109370.8189 298.8756 -47.7403 -22.9594 761336.7541 8.2762 8.1237 PRESSURE: 3560000 166.705 38.5492 228.875 38.5495 -107.288 9.4662 228.875 9.4675 314.341 GPRESSURE: 3560000 142.595 81.8905 132.819 8.60749 -50.3315 66.7132 139.364 68.2364 381.25 PRESSAVG: 3560000 83.2057 29.1906 -6.32148 29.1906 -27.274 15.5456 -6.32145 15.5456 10.6234 GPRESSAVG: 3560000 83.1254 28.9332 -8.27215 31.9018 -27.9213 13.6162 -5.38572 15.865 10.9218 TIMING: 3560000 CPU: 11315.2, 0.00311973/step Wall: 11315.2, 0.00311973/step, 1.24789 hours remaining, 239.527344 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: 3560000 3977.4563 20431.1725 14434.7609 231.8215 -203079.5478 2197.9614 0.0000 0.0000 52125.1117 -109681.2636 299.5637 -161806.3753 -109314.5246 298.4999 124.5861 157.8380 760297.3549 22.1850 22.0419 PRESSURE: 3560200 78.802 69.5583 120.131 69.5577 155.114 -148.379 120.131 -148.378 429.834 GPRESSURE: 3560200 194.256 15.6261 79.5915 248.315 156.149 -217.777 144.296 -49.2148 393.433 PRESSAVG: 3560200 31.7167 28.5347 -11.6207 28.5346 33.8991 30.4752 -11.6207 30.4752 13.8877 GPRESSAVG: 3560200 31.734 27.6374 -11.8016 28.9031 34.4207 30.8179 -10.356 30.7658 13.6155 TIMING: 3560200 CPU: 11315.9, 0.00313277/step Wall: 11315.9, 0.00313277/step, 1.25293 hours remaining, 239.527344 MB of memory in use. ENERGY: 3560200 3912.5689 20486.8684 14474.7247 273.6118 -203195.3304 2472.9092 0.0000 0.0000 51818.0457 -109756.6016 297.7990 -161574.6473 -109393.8748 298.6630 221.2501 247.9460 760133.2289 26.5012 26.5900 LDB: ============= START OF LOAD BALANCING ============== 11328.3 LDB: ============== END OF LOAD BALANCING =============== 11328.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11328.3 LDB: ============= START OF LOAD BALANCING ============== 11328.6 LDB: Largest compute 7075 load 0.033826 is 17.3% of average load 0.195366 LDB: Average compute 0.004367 is 2.2% of average load 0.195366 LDB: TIME 11328.6 LOAD: AVG 0.195366 MAX 0.215896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11328.6 LOAD: AVG 0.195366 MAX 0.215896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: TIME 11328.6 LOAD: AVG 0.195366 MAX 0.215896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: ============== END OF LOAD BALANCING =============== 11328.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11328.6 PRESSURE: 3560400 79.0467 99.8479 -78.0402 99.8471 -125.483 92.3108 -78.0404 92.311 344.729 GPRESSURE: 3560400 120.928 101.015 -73.3681 20.659 -112.759 127.752 55.4905 19.5734 382.184 PRESSAVG: 3560400 16.6332 40.518 29.8463 40.5181 -22.8377 -9.36993 29.8463 -9.36985 2.13268 GPRESSAVG: 3560400 14.7484 41.4811 32.5362 40.5942 -21.382 -9.86911 28.4382 -8.88024 2.20805 TIMING: 3560400 CPU: 11316.5, 0.00321651/step Wall: 11316.5, 0.00321651/step, 1.28625 hours remaining, 240.808594 MB of memory in use. ENERGY: 3560400 3932.0002 20545.6644 14472.8493 253.0681 -203514.3625 2578.0001 0.0000 0.0000 51784.7342 -109948.0462 297.6076 -161732.7804 -109585.3847 298.3527 99.4310 130.1174 760832.2678 -1.3573 -1.4752 PRESSURE: 3560600 118.688 86.826 284.781 86.8259 -134.508 67.6304 284.781 67.6296 -409.845 GPRESSURE: 3560600 158.958 53.0591 309.106 23.6623 -167.468 25.0797 174.228 111.644 -314.044 PRESSAVG: 3560600 51.0189 40.5663 35.7131 40.5663 2.84911 -16.4389 35.7131 -16.4388 -7.15351 GPRESSAVG: 3560600 52.3404 40.5487 34.0853 39.9309 1.85514 -17.2557 35.7205 -16.4371 -6.74082 TIMING: 3560600 CPU: 11317.1, 0.00312859/step Wall: 11317.1, 0.00312859/step, 1.25092 hours remaining, 241.011719 MB of memory in use. ENERGY: 3560600 3978.1385 20499.7782 14521.1934 252.2266 -203608.7056 2565.1227 0.0000 0.0000 51866.8365 -109925.4096 298.0794 -161792.2461 -109552.0130 298.2487 -141.8881 -107.5182 760287.9991 15.5715 15.8183 PRESSURE: 3560800 -6.76904 21.9004 -105.779 21.9008 109.289 -117.827 -105.778 -117.827 338.036 GPRESSURE: 3560800 -42.1753 -178.546 -127.754 85.2411 212.435 -122.436 -204.651 -53.711 346.431 PRESSAVG: 3560800 -43.9594 55.5588 31.2858 55.5588 38.0194 -24.4331 31.2859 -24.433 3.59412 GPRESSAVG: 3560800 -44.1575 54.5867 30.8084 54.0393 38.6226 -22.1969 30.7919 -24.7294 2.84709 TIMING: 3560800 CPU: 11317.8, 0.00313826/step Wall: 11317.8, 0.00313826/step, 1.25461 hours remaining, 241.011719 MB of memory in use. ENERGY: 3560800 4030.2732 20543.5551 14539.6998 232.1347 -203790.4316 2803.4057 0.0000 0.0000 51844.6794 -109796.6837 297.9521 -161641.3632 -109442.8716 298.6730 146.8517 172.2302 758044.0736 -0.7819 -0.8959 PRESSURE: 3561000 -144.266 -61.9653 127.646 -61.9659 153.559 -49.5472 127.646 -49.5462 -105.942 GPRESSURE: 3561000 -42.9224 -27.27 149.735 62.9798 113.778 -138.431 64.2516 61.7455 -65.336 PRESSAVG: 3561000 70.8688 -9.79426 55.8442 -9.79423 -64.9963 -17.4331 55.8442 -17.433 5.52295 GPRESSAVG: 3561000 71.1892 -11.2906 56.9557 -6.39639 -65.5258 -18.8236 58.0792 -18.671 5.63603 TIMING: 3561000 CPU: 11318.4, 0.00315135/step Wall: 11318.4, 0.00315135/step, 1.25966 hours remaining, 241.011719 MB of memory in use. ENERGY: 3561000 3990.6708 20613.0138 14565.1138 260.7944 -203503.7032 2527.6244 0.0000 0.0000 51939.7267 -109606.7592 298.4983 -161546.4859 -109252.7816 299.4639 -32.2167 1.8399 759098.0269 3.7985 3.7665 PRESSURE: 3561200 -109.071 28.3773 8.14105 28.3776 -36.1835 -0.399865 8.14094 -0.399458 -364.059 GPRESSURE: 3561200 -67.58 39.9976 -92.6619 -56.7509 -27.0829 -6.16239 84.2928 -113.867 -333.761 PRESSAVG: 3561200 31.7969 -48.7741 -29.5332 -48.7741 -28.0331 -55.6803 -29.5332 -55.6804 18.8161 GPRESSAVG: 3561200 31.6794 -48.1081 -30.4939 -50.0225 -28.3553 -56.8131 -31.3519 -53.3402 19.0481 TIMING: 3561200 CPU: 11319, 0.00312637/step Wall: 11319, 0.00312636/step, 1.2495 hours remaining, 241.011719 MB of memory in use. ENERGY: 3561200 3936.9945 20677.8108 14473.0765 241.4033 -203051.0500 2362.3639 0.0000 0.0000 52033.5587 -109325.8422 299.0376 -161359.4009 -108972.8419 299.0981 -169.7713 -142.8081 760055.7059 7.5266 7.4574 PRESSURE: 3561400 -230.958 -132.371 7.05718 -132.371 -268.416 19.1367 7.05765 19.1372 -377.224 GPRESSURE: 3561400 -150.787 -62.5554 75.4947 -203.391 -249.333 -54.377 -73.8248 52.2032 -397.751 PRESSAVG: 3561400 50.1917 15.1876 -5.58567 15.1876 -17.7751 -34.6591 -5.5856 -34.6591 34.3547 GPRESSAVG: 3561400 51.4711 17.6207 -4.43718 14.4259 -18.1542 -33.145 -4.78639 -35.4184 32.9095 TIMING: 3561400 CPU: 11319.6, 0.00312293/step Wall: 11319.6, 0.00312293/step, 1.24796 hours remaining, 241.011719 MB of memory in use. ENERGY: 3561400 3972.4183 20473.8752 14481.1669 233.7980 -203175.6868 2404.9162 0.0000 0.0000 52180.2270 -109429.2851 299.8805 -161609.5121 -109062.5224 299.0677 -292.1995 -265.9570 759557.9599 22.2571 22.0755 PRESSURE: 3561600 -106.303 -109.687 38.7739 -109.687 85.2893 130.507 38.7743 130.507 12.435 GPRESSURE: 3561600 -141.132 -133.182 -69.2752 -72.2197 164.599 133.746 168.276 270.79 20.981 PRESSAVG: 3561600 -26.6687 17.5786 49.1868 17.5786 -12.6168 43.1908 49.1868 43.1908 6.8957 GPRESSAVG: 3561600 -27.7439 16.4416 48.7835 17.133 -12.1508 43.7205 49.7907 41.4744 7.38219 TIMING: 3561600 CPU: 11320.3, 0.00314218/step Wall: 11320.3, 0.00314218/step, 1.25547 hours remaining, 241.011719 MB of memory in use. ENERGY: 3561600 3953.6379 20514.4263 14467.7008 257.8777 -203248.8148 2522.9011 0.0000 0.0000 51731.3805 -109800.8905 297.3010 -161532.2710 -109445.0267 298.7256 -2.8596 14.8161 759500.6649 -10.7966 -10.8375 PRESSURE: 3561800 -118.2 -13.0628 2.97756 -13.0628 7.79018 18.8503 2.97817 18.8502 115.379 GPRESSURE: 3561800 -4.20808 -48.5195 -30.6016 -43.7687 -17.5454 37.1247 -10.6294 -52.5852 97.7433 PRESSAVG: 3561800 -7.15843 -16.6084 11.2962 -16.6085 15.1486 21.6084 11.2962 21.6084 11.5114 GPRESSAVG: 3561800 -5.75086 -17.0974 10.5376 -15.658 12.5309 20.7601 12.1806 23.2852 11.9559 TIMING: 3561800 CPU: 11320.9, 0.00313574/step Wall: 11320.9, 0.00313574/step, 1.25273 hours remaining, 241.011719 MB of memory in use. ENERGY: 3561800 3885.4467 20345.2269 14499.2655 232.9733 -203387.8740 2382.2425 0.0000 0.0000 52039.5861 -110003.1330 299.0722 -162042.7191 -109639.6666 298.0814 1.6564 25.3299 758903.8344 6.5005 6.2453 PRESSURE: 3562000 378.191 -138.072 137.837 -138.072 -82.897 -46.8046 137.837 -46.8054 -20.3736 GPRESSURE: 3562000 295.828 -129.902 155.085 -129.641 42.9751 52.9633 177.989 -3.66322 30.3589 PRESSAVG: 3562000 29.6472 -7.65956 34.8148 -7.65962 -39.244 -7.57002 34.8148 -7.56992 -8.77966 GPRESSAVG: 3562000 28.448 -7.7807 34.1481 -7.92347 -36.708 -6.57679 33.4172 -9.50509 -9.73792 TIMING: 3562000 CPU: 11321.5, 0.00312646/step Wall: 11321.5, 0.00312646/step, 1.24885 hours remaining, 241.011719 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: 3562000 3869.7591 20471.5603 14430.5215 253.0603 -203969.6092 2896.9186 0.0000 0.0000 52032.0611 -110015.7282 299.0290 -162047.7894 -109649.5205 298.3914 91.6401 123.0541 759759.3270 -6.1255 -5.9993 PRESSURE: 3562200 80.0144 -134.235 84.2207 -134.234 313.557 178.485 84.2212 178.484 -234.988 GPRESSURE: 3562200 97.6139 -97.5782 -19.4606 -72.0434 289.602 147.041 71.2352 153.629 -132.115 PRESSAVG: 3562200 14.5114 4.11747 31.6616 4.11751 -41.2152 -15.6492 31.6616 -15.6492 -26.9881 GPRESSAVG: 3562200 15.8244 4.23228 30.9595 5.24524 -43.1197 -15.6554 30.9144 -15.8731 -26.6488 TIMING: 3562200 CPU: 11322.2, 0.00313055/step Wall: 11322.2, 0.00313055/step, 1.25031 hours remaining, 241.011719 MB of memory in use. ENERGY: 3562200 3879.1343 20486.1712 14460.0921 248.2639 -203646.4618 2677.2085 0.0000 0.0000 51922.6043 -109972.9875 298.3999 -161895.5917 -109605.6317 298.1988 52.8612 85.0338 760539.6821 -17.8973 -17.9814 PRESSURE: 3562400 -126.503 -43.8357 -4.9178 -43.8362 -297.103 -152.266 -4.91775 -152.267 93.5175 GPRESSURE: 3562400 -154.632 -183.521 -3.07792 -29.4656 -201.652 -203.948 -18.4088 -140.903 124.6 PRESSAVG: 3562400 32.6009 -10.3371 50.5155 -10.3371 -32.0921 -10.0278 50.5155 -10.0279 20.9338 GPRESSAVG: 3562400 30.7597 -11.4916 52.9651 -9.76763 -31.7521 -9.13728 52.017 -10.3712 21.9486 TIMING: 3562400 CPU: 11322.8, 0.00314676/step Wall: 11322.8, 0.00314676/step, 1.2566 hours remaining, 241.011719 MB of memory in use. ENERGY: 3562400 4024.3873 20435.2109 14478.9257 249.1270 -203274.7202 2456.6733 0.0000 0.0000 51836.9495 -109793.4464 297.9077 -161630.3959 -109433.8009 298.7193 -110.0294 -77.2280 761518.9914 7.1475 6.9854 PRESSURE: 3562600 -241.003 -28.9523 -30.8907 -28.9527 -93.6252 156.38 -30.8906 156.38 -440.37 GPRESSURE: 3562600 -163.085 -104.986 -51.7523 -49.5328 -94.2846 191.622 46.1548 101.124 -431.94 PRESSAVG: 3562600 5.30119 4.319 -50.2007 4.31891 28.8025 22.6764 -50.2007 22.6763 13.228 GPRESSAVG: 3562600 5.22292 5.45667 -49.3049 3.64843 30.4158 22.4868 -51.0927 24.2014 11.5586 TIMING: 3562600 CPU: 11323.4, 0.00314265/step Wall: 11323.4, 0.00314265/step, 1.25479 hours remaining, 241.011719 MB of memory in use. ENERGY: 3562600 3941.4612 20326.5959 14524.7898 257.3035 -203335.9883 2578.0065 0.0000 0.0000 51919.6055 -109788.2258 298.3827 -161707.8312 -109427.0627 298.1925 -258.3325 -229.7699 761819.5343 15.7772 15.7324 PRESSURE: 3562800 -282.949 -121.212 11.2967 -121.213 -178.512 -101.387 11.2978 -101.387 -378.66 GPRESSURE: 3562800 -273.266 -192.712 -36.981 71.2131 -125.602 -184.934 24.3942 -45.2126 -367.226 PRESSAVG: 3562800 -37.7062 -21.0688 15.7239 -21.0688 42.0135 7.81912 15.7238 7.81915 -15.4513 GPRESSAVG: 3562800 -37.6708 -21.3298 15.5298 -20.1115 41.1807 7.79674 12.9832 6.64251 -14.8754 TIMING: 3562800 CPU: 11324, 0.0031381/step Wall: 11324, 0.0031381/step, 1.2528 hours remaining, 241.011719 MB of memory in use. ENERGY: 3562800 3962.4785 20398.2330 14533.6212 238.8396 -203445.1091 2509.7063 0.0000 0.0000 52104.9751 -109697.2554 299.4480 -161802.2305 -109330.7751 298.3149 -280.0407 -255.3646 762232.8821 -3.7147 -3.7885 PRESSURE: 3563000 -169.633 -151.669 77.4093 -151.669 157.828 125.148 77.4092 125.148 163.396 GPRESSURE: 3563000 -116.578 -73.7863 75.069 -121.056 185.807 149.381 148.501 47.3245 158.198 PRESSAVG: 3563000 -13.769 -50.2212 -3.93109 -50.2212 13.2993 30.3942 -3.93115 30.3942 -2.40971 GPRESSAVG: 3563000 -13.9233 -49.7654 -4.4685 -52.0886 12.5165 29.3553 -0.179154 30.5182 -1.96967 TIMING: 3563000 CPU: 11324.7, 0.00313009/step Wall: 11324.7, 0.00313009/step, 1.24943 hours remaining, 241.011719 MB of memory in use. ENERGY: 3563000 4007.3717 20473.2922 14372.9174 250.0910 -203358.3105 2487.4570 0.0000 0.0000 52125.4506 -109641.7306 299.5657 -161767.1811 -109291.7573 298.7577 50.5304 75.8091 761954.7976 -0.9598 -1.1255 PRESSURE: 3563200 -219.643 -24.6178 130.959 -24.6182 -72.8144 -19.6785 130.96 -19.679 216.011 GPRESSURE: 3563200 -155.864 -52.2938 50.6868 -47.8194 34.7968 -5.4308 22.7136 -85.2788 164.379 PRESSAVG: 3563200 -47.1961 -26.857 36.3202 -26.857 62.3721 -45.1944 36.3203 -45.1943 -15.9363 GPRESSAVG: 3563200 -47.258 -28.6375 33.9387 -26.362 63.4962 -45.6098 35.0865 -42.4795 -16.8493 TIMING: 3563200 CPU: 11325.3, 0.00313374/step Wall: 11325.3, 0.00313374/step, 1.25071 hours remaining, 241.011719 MB of memory in use. ENERGY: 3563200 3951.2425 20495.0218 14514.9251 245.0466 -203588.7833 2750.2710 0.0000 0.0000 51885.9807 -109746.2957 298.1894 -161632.2764 -109385.6026 299.0163 -25.4823 14.4373 762604.5613 -0.2534 -0.2037 PRESSURE: 3563400 -107.753 222.153 -88.4187 222.153 -175.95 133.161 -88.4177 133.161 -321.66 GPRESSURE: 3563400 -54.1828 238.471 -60.4582 112.301 -135.024 96.9012 55.1157 119.148 -318.464 PRESSAVG: 3563400 -9.64006 46.3777 -0.668732 46.3777 49.9004 -0.682939 -0.668731 -0.682967 -14.7878 GPRESSAVG: 3563400 -9.10146 48.3634 1.16767 46.1481 49.0561 0.194578 0.25966 -1.7964 -14.6064 TIMING: 3563400 CPU: 11325.9, 0.00315777/step Wall: 11325.9, 0.00315777/step, 1.26013 hours remaining, 241.011719 MB of memory in use. ENERGY: 3563400 3980.2301 20566.3564 14457.9215 241.5687 -203007.5507 2203.1797 0.0000 0.0000 51649.5175 -109908.7768 296.8305 -161558.2943 -109560.2577 298.3344 -201.7876 -169.2234 761679.7384 8.4908 8.4494 PRESSURE: 3563600 21.1656 133.338 212.02 133.338 166.514 102.487 212.02 102.487 237.106 GPRESSURE: 3563600 62.1402 206.039 186.792 101.523 179.849 98.5346 50.7667 61.3168 269.516 PRESSAVG: 3563600 2.32385 15.0449 0.337394 15.0449 30.6504 36.7115 0.337434 36.7114 6.0289 GPRESSAVG: 3563600 2.41148 14.8633 -0.575058 14.6412 29.5774 36.3199 -0.187271 36.1933 7.1692 TIMING: 3563600 CPU: 11326.6, 0.00315133/step Wall: 11326.6, 0.00315133/step, 1.25738 hours remaining, 241.011719 MB of memory in use. ENERGY: 3563600 3924.9929 20422.3141 14449.3707 230.9881 -203701.2894 2661.1083 0.0000 0.0000 51789.8816 -110222.6337 297.6372 -162012.5153 -109860.8237 298.2169 141.5951 170.5017 759488.6459 13.0011 13.0527 PRESSURE: 3563800 29.963 188.493 -67.0895 188.493 182.392 194.619 -67.0896 194.62 320.328 GPRESSURE: 3563800 98.1526 225.965 -124.074 159.258 227.38 143.867 -22.563 164.985 270.762 PRESSAVG: 3563800 -57.6481 19.1119 22.7974 19.1119 25.5784 -21.5188 22.7974 -21.5188 25.6281 GPRESSAVG: 3563800 -56.297 19.4054 22.7363 18.8403 24.6098 -21.9312 23.5143 -22.3652 24.5556 TIMING: 3563800 CPU: 11327.2, 0.00315343/step Wall: 11327.2, 0.00315343/step, 1.25804 hours remaining, 241.011719 MB of memory in use. ENERGY: 3563800 3937.0366 20620.8877 14499.0510 238.8066 -203775.9486 2619.7202 0.0000 0.0000 51779.7078 -110080.7387 297.5787 -161860.4465 -109730.4939 297.8239 177.5611 198.7650 761309.2980 -2.1472 -2.3772 PRESSURE: 3564000 136.468 -58.6228 -178.956 -58.6232 189.872 -85.3746 -178.956 -85.3748 344.842 GPRESSURE: 3564000 211.375 -12.3812 -185.369 -86.5339 193.623 -63.2339 -45.2965 85.1746 359.303 PRESSAVG: 3564000 35.7625 28.8558 1.99857 28.8559 -0.507199 44.5212 1.99858 44.5212 -5.17931 GPRESSAVG: 3564000 34.9332 28.0361 3.31485 29.1933 0.0166514 44.9996 4.1425 45.926 -4.92953 TIMING: 3564000 CPU: 11327.8, 0.0031531/step Wall: 11327.8, 0.0031531/step, 1.25774 hours remaining, 241.011719 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: 3564000 3984.0185 20541.2811 14432.2438 257.3667 -203626.0998 2637.0356 0.0000 0.0000 51920.1476 -109854.0065 298.3858 -161774.1541 -109491.7110 298.1269 223.7274 254.7670 760651.6362 10.0253 10.0068 PRESSURE: 3564200 113.703 132.333 -205.505 132.333 -291.559 193.691 -205.506 193.691 -57.5487 GPRESSURE: 3564200 125.657 8.71153 -199.531 142.706 -157.972 204.332 -312.661 179.683 -110.765 PRESSAVG: 3564200 -39.672 21.6696 -13.3246 21.6696 21.1754 27.0526 -13.3246 27.0526 11.1044 GPRESSAVG: 3564200 -40.9431 21.8604 -14.8691 21.0778 23.0834 27.2155 -15.3688 25.0893 10.7764 TIMING: 3564200 CPU: 11328.4, 0.00314757/step Wall: 11328.4, 0.00314757/step, 1.25536 hours remaining, 241.011719 MB of memory in use. ENERGY: 3564200 3990.1726 20353.7580 14527.3775 258.1787 -203629.0971 2607.9792 0.0000 0.0000 52143.1948 -109748.4363 299.6677 -161891.6311 -109389.5423 298.9965 -78.4682 -47.6934 760163.1848 -2.4641 -2.3611 LDB: ============= START OF LOAD BALANCING ============== 11340.9 LDB: ============== END OF LOAD BALANCING =============== 11340.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11340.9 LDB: ============= START OF LOAD BALANCING ============== 11341.2 LDB: Largest compute 7075 load 0.033676 is 17.2% of average load 0.195374 LDB: Average compute 0.004387 is 2.2% of average load 0.195374 LDB: TIME 11341.2 LOAD: AVG 0.195374 MAX 0.214285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11341.2 LOAD: AVG 0.195374 MAX 0.214285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 11341.2 LOAD: AVG 0.195374 MAX 0.214285 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 11341.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11341.2 PRESSURE: 3564400 -183.562 103.065 -52.7312 103.065 47.3793 -105.811 -52.7318 -105.811 -36.5027 GPRESSURE: 3564400 -155.663 154.324 -84.615 53.5577 109.501 -98.673 -131.854 -69.6867 -27.7051 PRESSAVG: 3564400 4.91147 15.9741 -23.3358 15.9741 32.7795 41.3003 -23.3358 41.3002 -0.342319 GPRESSAVG: 3564400 6.12737 16.0019 -22.6639 16.2947 31.1123 41.0311 -21.5072 43.0381 0.667788 TIMING: 3564400 CPU: 11329.1, 0.0032035/step Wall: 11329.1, 0.0032035/step, 1.27748 hours remaining, 241.320312 MB of memory in use. ENERGY: 3564400 4050.3275 20348.3388 14426.9496 245.9264 -203253.0329 2137.6413 0.0000 0.0000 52176.3995 -109867.4498 299.8585 -162043.8493 -109503.3974 298.7541 -57.5617 -24.6221 759986.2325 12.4496 12.6358 PRESSURE: 3564600 -115.044 88.1182 231.414 88.1182 62.6253 -222.225 231.415 -222.224 78.7121 GPRESSURE: 3564600 -64.0535 116.665 152.246 197.646 128.536 -146.51 167.967 -147.43 67.4074 PRESSAVG: 3564600 -31.7509 -19.349 -8.89975 -19.3489 49.5197 13.0466 -8.89968 13.0467 5.06971 GPRESSAVG: 3564600 -33.2721 -20.884 -7.99264 -18.2377 51.0606 12.259 -11.5613 15.0273 5.14664 TIMING: 3564600 CPU: 11329.7, 0.0031488/step Wall: 11329.7, 0.0031488/step, 1.2555 hours remaining, 241.320312 MB of memory in use. ENERGY: 3564600 3975.4563 20397.4912 14482.6757 242.1976 -203368.6607 2425.2714 0.0000 0.0000 51828.9525 -110016.6160 297.8617 -161845.5685 -109650.9365 298.4591 8.7645 43.9633 758106.7801 7.6128 7.6450 PRESSURE: 3564800 225.843 -42.447 95.4481 -42.4465 46.6479 85.113 95.4476 85.1124 -88.1242 GPRESSURE: 3564800 214.838 -42.1123 60.4849 84.1964 17.1748 81.7879 147.607 160.241 37.7704 PRESSAVG: 3564800 -46.7407 -21.5447 43.1999 -21.5447 21.5383 -7.48569 43.1999 -7.48575 -3.30748 GPRESSAVG: 3564800 -46.2665 -21.6869 41.1416 -20.978 21.4473 -6.86108 44.7991 -10.2452 -3.2495 TIMING: 3564800 CPU: 11330.3, 0.00314653/step Wall: 11330.3, 0.00314653/step, 1.25442 hours remaining, 241.320312 MB of memory in use. ENERGY: 3564800 4017.6851 20343.4314 14507.9299 251.9615 -203539.9408 2265.4306 0.0000 0.0000 51955.8655 -110197.6367 298.5911 -162153.5021 -109841.8093 298.4508 61.4556 89.9277 760272.2753 -9.5033 -9.3562 PRESSURE: 3565000 98.0485 282.175 -50.6769 282.175 109.782 -88.7223 -50.6774 -88.7217 -17.1841 GPRESSURE: 3565000 152.577 131.771 -49.3827 152.322 154.398 -12.3883 -130.888 -28.1403 -33.902 PRESSAVG: 3565000 -6.08658 16.9904 37.0765 16.9904 -10.7456 9.05246 37.0765 9.05245 16.3836 GPRESSAVG: 3565000 -5.77681 17.8935 37.9339 15.1013 -11.3311 10.0084 36.1359 9.46337 16.0022 TIMING: 3565000 CPU: 11331, 0.00313629/step Wall: 11331, 0.00313629/step, 1.25016 hours remaining, 241.320312 MB of memory in use. ENERGY: 3565000 3882.2008 20403.4368 14403.1874 272.5911 -203411.9011 2565.5632 0.0000 0.0000 51785.6028 -110099.3190 297.6126 -161884.9218 -109732.7365 298.1577 63.5489 91.0243 760817.1457 -0.1495 -0.3686 PRESSURE: 3565200 -127.461 -62.7239 97.5928 -62.7235 39.0585 -23.557 97.5921 -23.5563 229.07 GPRESSURE: 3565200 -49.4565 26.5229 55.4171 -11.4715 151.891 20.6949 168.157 -137.272 128.314 PRESSAVG: 3565200 -9.48361 22.9118 18.2138 22.9119 9.31728 8.44884 18.2138 8.44892 5.30251 GPRESSAVG: 3565200 -6.86335 22.8571 19.8037 24.831 9.09035 7.57884 17.5574 7.04865 3.40825 TIMING: 3565200 CPU: 11331.6, 0.00313645/step Wall: 11331.6, 0.00313645/step, 1.25005 hours remaining, 241.320312 MB of memory in use. ENERGY: 3565200 3952.9066 20579.9649 14391.0824 233.6575 -203827.9046 2739.7749 0.0000 0.0000 51818.1476 -110112.3706 297.7996 -161930.5182 -109764.0550 298.1283 46.8893 76.9159 758445.8678 1.7121 1.8784 PRESSURE: 3565400 -202.971 153.587 -99.417 153.586 -159.993 149.086 -99.417 149.085 -276.422 GPRESSURE: 3565400 -140.518 62.3732 -97.7388 139.567 -90.5841 204 -100.868 -28.7147 -310.06 PRESSAVG: 3565400 -12.7047 38.8462 17.1802 38.8462 24.6532 -53.0394 17.1801 -53.0396 4.13591 GPRESSAVG: 3565400 -14.4933 37.6729 17.5588 38.3505 24.5482 -53.3379 16.2633 -53.3997 6.06496 TIMING: 3565400 CPU: 11332.2, 0.0031552/step Wall: 11332.2, 0.0031552/step, 1.25735 hours remaining, 241.320312 MB of memory in use. ENERGY: 3565400 3932.5721 20427.6462 14399.5644 253.6219 -203582.7011 2606.8841 0.0000 0.0000 51912.8293 -110049.5831 298.3437 -161962.4124 -109692.8942 298.3890 -213.1288 -180.3873 761150.8867 5.3615 5.3733 PRESSURE: 3565600 -87.3469 -85.6208 142.277 -85.6198 169.348 79.6384 142.275 79.6383 -207.491 GPRESSURE: 3565600 -112.759 -145.428 95.2427 -169.658 154.786 42.1958 110.169 172.648 -97.881 PRESSAVG: 3565600 7.14144 55.4804 -9.20658 55.4804 -43.7177 45.9209 -9.20658 45.9209 -23.5423 GPRESSAVG: 3565600 7.38614 56.7336 -9.51462 53.6118 -44.5134 46.7443 -10.8204 48.1444 -23.2774 TIMING: 3565600 CPU: 11332.9, 0.00312802/step Wall: 11332.9, 0.00312802/step, 1.24634 hours remaining, 241.320312 MB of memory in use. ENERGY: 3565600 3966.0016 20499.5288 14372.1884 236.4708 -203479.7864 2552.5469 0.0000 0.0000 52003.7803 -109849.2696 298.8664 -161853.0499 -109479.6807 298.4582 -41.8303 -18.6180 761142.9886 -20.0395 -20.1349 PRESSURE: 3565800 175.077 -197.947 -215.873 -197.946 -144.813 34.5512 -215.875 34.5514 -347.261 GPRESSURE: 3565800 91.8964 -106.758 -265.301 -155.788 -11.8729 -38.5231 -88.4198 71.4409 -300.783 PRESSAVG: 3565800 -2.55564 -12.9303 -47.6692 -12.9302 22.7443 6.70227 -47.6692 6.70232 -1.56229 GPRESSAVG: 3565800 -3.67407 -11.3626 -50.4713 -14.1553 25.2983 5.05934 -44.4715 7.20152 -2.73187 TIMING: 3565800 CPU: 11333.5, 0.00313692/step Wall: 11333.5, 0.00313692/step, 1.24971 hours remaining, 241.320312 MB of memory in use. ENERGY: 3565800 3938.9200 20602.8548 14431.4222 249.6722 -203160.7037 2329.8012 0.0000 0.0000 52044.0530 -109563.9803 299.0979 -161608.0334 -109203.3751 298.9218 -105.6658 -73.5866 760671.2239 6.2088 6.2974 PRESSURE: 3566000 246.837 97.1259 -158.621 97.1255 -449.348 -166.349 -158.621 -166.351 134.798 GPRESSURE: 3566000 273.08 126.603 -124.773 39.478 -381.92 -190.224 -166.728 -176.142 139.334 PRESSAVG: 3566000 25.4457 22.245 -45.9996 22.245 -60.7465 44.892 -45.9995 44.892 -18.1783 GPRESSAVG: 3566000 24.8828 22.3729 -42.8887 24.0439 -61.4918 44.0457 -44.9844 45.8802 -18.0116 TIMING: 3566000 CPU: 11334.1, 0.00314131/step Wall: 11334.1, 0.00314131/step, 1.25129 hours remaining, 241.320312 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: 3566000 3983.1479 20492.2022 14445.4568 260.4811 -203118.1897 2333.6736 0.0000 0.0000 51915.2192 -109688.0088 298.3575 -161603.2281 -109316.8961 298.8656 -22.5710 10.1645 760361.7513 -17.8264 -18.2069 PRESSURE: 3566200 238.502 -211.785 -30.3281 -211.785 72.1974 167.016 -30.3278 167.016 529.321 GPRESSURE: 3566200 323.401 -121.469 0.739031 -197.589 125.751 131.45 18.8136 127.885 490.84 PRESSAVG: 3566200 49.559 13.4478 -7.67186 13.4478 -51.669 -8.93316 -7.67181 -8.93312 19.7851 GPRESSAVG: 3566200 49.9221 11.7508 -7.16799 13.9776 -51.4667 -6.65257 -9.84626 -9.42716 19.0277 TIMING: 3566200 CPU: 11334.7, 0.00314481/step Wall: 11334.7, 0.00314481/step, 1.25251 hours remaining, 241.578125 MB of memory in use. ENERGY: 3566200 3939.5874 20622.1662 14525.3837 239.0897 -203804.5316 2709.5590 0.0000 0.0000 51902.5038 -109866.2419 298.2844 -161768.7457 -109507.8514 298.6073 280.0069 313.3307 760206.2908 5.8917 5.8277 PRESSURE: 3566400 -189.388 148.42 105.383 148.42 37.7443 -31.4786 105.384 -31.4803 262.254 GPRESSURE: 3566400 -120.234 141.469 89.2069 220.83 63.1395 -67.9993 -3.21076 -104.285 250.052 PRESSAVG: 3566400 -52.7238 14.44 17.4625 14.44 41.9933 23.4077 17.4624 23.4077 -8.87459 GPRESSAVG: 3566400 -52.159 16.0695 15.5581 13.0501 40.7708 22.9818 15.0369 23.4227 -8.24974 TIMING: 3566400 CPU: 11335.4, 0.00315338/step Wall: 11335.4, 0.00315338/step, 1.25575 hours remaining, 241.578125 MB of memory in use. ENERGY: 3566400 4016.6659 20489.5819 14461.1868 261.2015 -203707.8853 2517.2815 0.0000 0.0000 52277.5997 -109684.3680 300.4401 -161961.9677 -109322.6405 298.9876 36.8704 64.3191 761966.6082 -6.5350 -6.5460 PRESSURE: 3566600 93.8439 -4.90602 79.384 -4.90598 -375.145 -105.436 79.3835 -105.436 205.127 GPRESSURE: 3566600 44.8815 -126.489 76.2091 -50.9188 -283.206 -114.631 147.153 -48.236 255.272 PRESSAVG: 3566600 -70.3798 30.5252 45.6467 30.5252 38.8456 -55.4938 45.6467 -55.4938 22.5851 GPRESSAVG: 3566600 -71.5853 28.6436 45.7779 31.2162 39.4533 -54.5671 47.2379 -56.2811 23.3914 TIMING: 3566600 CPU: 11336, 0.00315785/step Wall: 11336, 0.00315785/step, 1.25735 hours remaining, 241.578125 MB of memory in use. ENERGY: 3566600 4024.9472 20560.3460 14506.6532 265.5247 -203334.9869 2411.4233 0.0000 0.0000 51907.2662 -109658.8262 298.3118 -161566.0924 -109293.8182 298.8647 -25.3913 5.6494 760959.4695 -2.9830 -2.9135 PRESSURE: 3566800 7.60912 109.945 -16.1367 109.944 162.641 239.691 -16.1365 239.691 -92.847 GPRESSURE: 3566800 81.5527 -47.152 7.02571 158.858 173.822 174.416 72.7103 264.24 -88.9464 PRESSAVG: 3566800 -38.4818 23.9285 6.09388 23.9285 7.38206 65.3382 6.09384 65.3383 17.2326 GPRESSAVG: 3566800 -38.7234 23.6837 7.26473 24.3165 6.9035 62.543 8.17762 65.6084 17.5483 TIMING: 3566800 CPU: 11336.6, 0.00314642/step Wall: 11336.6, 0.00314642/step, 1.25262 hours remaining, 241.578125 MB of memory in use. ENERGY: 3566800 3909.1297 20551.5851 14475.0348 227.4442 -203852.6884 2629.7177 0.0000 0.0000 52137.2947 -109922.4823 299.6337 -162059.7770 -109554.4239 298.8152 25.8010 55.4761 760037.8258 -4.6224 -4.7572 PRESSURE: 3567000 118.419 -102.907 -196.314 -102.907 -146.098 -31.1411 -196.315 -31.1415 -11.6715 GPRESSURE: 3567000 153.429 -74.069 -74.7104 -69.1888 -26.3188 39.3466 -269.657 -111.707 -89.4419 PRESSAVG: 3567000 16.1925 -28.0231 -2.22632 -28.0231 44.216 71.9596 -2.22632 71.9595 -13.344 GPRESSAVG: 3567000 17.0265 -26.4517 -2.29979 -29.3828 44.9087 73.7961 -3.6812 72.0343 -15.0792 TIMING: 3567000 CPU: 11337.3, 0.00315753/step Wall: 11337.3, 0.00315753/step, 1.25687 hours remaining, 241.578125 MB of memory in use. ENERGY: 3567000 3939.2492 20436.3425 14524.4556 255.0058 -203456.3131 2436.8802 0.0000 0.0000 52058.3707 -109806.0092 299.1802 -161864.3799 -109444.4333 298.9688 -13.1169 12.5562 759373.0090 15.6882 15.6187 PRESSURE: 3567200 -418.555 23.0997 24.8558 23.099 -192.285 -112.702 24.8554 -112.702 -619.419 GPRESSURE: 3567200 -371.624 -1.02289 -72.0204 50.8791 -171.328 -232.607 120.011 37.0157 -605.515 PRESSAVG: 3567200 -15.4614 -29.1905 28.1992 -29.1905 54.0473 -20.2082 28.1993 -20.2082 14.8213 GPRESSAVG: 3567200 -16.7666 -29.4502 26.4311 -28.1382 53.5803 -19.5084 29.675 -19.7027 16.2395 TIMING: 3567200 CPU: 11337.9, 0.00315588/step Wall: 11337.9, 0.00315588/step, 1.25604 hours remaining, 241.578125 MB of memory in use. ENERGY: 3567200 4005.9690 20504.4165 14497.5404 262.8207 -202838.0472 1857.3074 0.0000 0.0000 51879.0023 -109830.9909 298.1493 -161709.9932 -109481.3733 298.1996 -410.0865 -382.8226 761596.7205 17.8024 17.6844 PRESSURE: 3567400 257.158 44.0271 -50.5911 44.0263 95.5686 -141.003 -50.5916 -141.002 -43.6255 GPRESSURE: 3567400 228.937 47.9094 -67.5382 19.469 149.451 -120.787 -113.732 -29.8539 6.48115 PRESSAVG: 3567400 -28.2506 37.7125 14.3822 37.7125 27.5399 -42.2512 14.3821 -42.2512 10.0308 GPRESSAVG: 3567400 -29.6059 35.3436 14.7679 38.7682 27.1647 -43.4293 13.8814 -42.777 11.5933 TIMING: 3567400 CPU: 11338.5, 0.00316006/step Wall: 11338.5, 0.00316006/step, 1.25753 hours remaining, 241.578125 MB of memory in use. ENERGY: 3567400 3979.8207 20692.5255 14462.0081 258.4594 -203683.2530 2608.1470 0.0000 0.0000 51899.3702 -109782.9222 298.2664 -161682.2924 -109425.1114 298.6139 103.0338 128.2898 760160.4903 3.1067 3.0507 PRESSURE: 3567600 -66.0471 45.7344 -100.329 45.7341 182.447 27.0692 -100.33 27.069 -186.576 GPRESSURE: 3567600 38.6622 -14.1357 -197.384 211.004 131.373 -16.6908 -14.1214 113.115 -162.497 PRESSAVG: 3567600 48.7599 -28.8208 -2.21359 -28.8208 -41.5854 8.5139 -2.21356 8.51393 -3.55164 GPRESSAVG: 3567600 51.6036 -26.7254 -1.28873 -29.9973 -42.2674 9.66515 -3.82435 8.09414 -5.78376 TIMING: 3567600 CPU: 11339.2, 0.00315265/step Wall: 11339.2, 0.00315265/step, 1.25441 hours remaining, 241.578125 MB of memory in use. ENERGY: 3567600 3942.4050 20488.7339 14491.7842 249.8845 -203540.2226 2519.2443 0.0000 0.0000 52416.0038 -109432.1669 301.2355 -161848.1707 -109057.8498 298.9481 -23.3918 2.5130 759652.0095 1.2076 1.1841 PRESSURE: 3567800 -27.1247 -430.463 -91.4721 -430.464 308.047 220.11 -91.4718 220.11 -81.4121 GPRESSURE: 3567800 44.274 -300.577 -73.3238 -511.941 303.312 127.646 18.1012 302.558 -65.4487 PRESSAVG: 3567800 8.67962 -46.0423 -6.28562 -46.0423 26.6657 43.2129 -6.28567 43.2129 -5.46226 GPRESSAVG: 3567800 7.08916 -46.0652 -5.65413 -45.1102 27.1863 41.9711 -6.62579 45.261 -4.18576 TIMING: 3567800 CPU: 11339.8, 0.00315613/step Wall: 11339.8, 0.00315613/step, 1.25561 hours remaining, 241.578125 MB of memory in use. ENERGY: 3567800 4017.6644 20627.2126 14485.1006 264.4577 -203198.7099 2567.0493 0.0000 0.0000 51924.1780 -109313.0473 298.4090 -161237.2252 -108953.2413 299.8001 66.5035 94.0459 760764.6520 9.9610 10.0299 PRESSURE: 3568000 64.1145 -58.3776 184.48 -58.3783 7.74898 -33.8532 184.481 -33.8531 34.1326 GPRESSURE: 3568000 119.558 -48.1776 144.257 -146.475 8.51898 -51.3676 221.296 -121.288 78.7159 PRESSAVG: 3568000 -5.31265 16.18 20.4341 16.18 -6.84724 2.66014 20.4341 2.66022 5.67526 GPRESSAVG: 3568000 -3.72657 15.1574 20.6303 13.9154 -6.48996 4.40296 23.1567 1.49498 4.06082 TIMING: 3568000 CPU: 11340.4, 0.00314267/step Wall: 11340.4, 0.00314267/step, 1.25008 hours remaining, 241.578125 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: 3568000 3999.3997 20503.5859 14453.1628 239.5523 -203135.8748 2413.6159 0.0000 0.0000 52131.7905 -109394.7677 299.6021 -161526.5582 -109035.9503 299.7241 35.3320 68.9309 761353.4268 -2.1615 -2.0519 PRESSURE: 3568200 -107.268 -4.22783 -219.753 -4.22724 -70.1902 -101.677 -219.753 -101.677 68.0217 GPRESSURE: 3568200 -61.1433 20.2935 -176.523 45.2862 13.4149 -108.031 -161.818 -137.496 17.4973 PRESSAVG: 3568200 66.3009 -11.3691 1.17915 -11.3691 -59.3827 -34.4928 1.1792 -34.4928 -3.36496 GPRESSAVG: 3568200 65.6142 -7.74497 0.18051 -11.0085 -58.6606 -35.7575 -0.1738 -34.4461 -2.98706 TIMING: 3568200 CPU: 11341, 0.0031437/step Wall: 11341, 0.0031437/step, 1.25032 hours remaining, 241.578125 MB of memory in use. ENERGY: 3568200 3965.5261 20679.4876 14520.6265 269.7274 -203541.3601 2558.7917 0.0000 0.0000 51960.8235 -109586.3773 298.6196 -161547.2008 -109227.1431 299.3464 -36.4789 -10.0770 760031.6789 1.1844 1.3222 LDB: ============= START OF LOAD BALANCING ============== 11353.5 LDB: ============== END OF LOAD BALANCING =============== 11353.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353.5 LDB: ============= START OF LOAD BALANCING ============== 11353.8 LDB: Largest compute 7075 load 0.034177 is 17.5% of average load 0.195366 LDB: Average compute 0.004383 is 2.2% of average load 0.195366 LDB: TIME 11353.8 LOAD: AVG 0.195366 MAX 0.215856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 11353.8 LOAD: AVG 0.195366 MAX 0.215856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: TIME 11353.8 LOAD: AVG 0.195366 MAX 0.215856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: ============== END OF LOAD BALANCING =============== 11353.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353.8 PRESSURE: 3568400 499.671 -169.821 -51.3549 -169.821 382.18 141.176 -51.3549 141.177 51.8367 GPRESSURE: 3568400 474.703 -115.827 -170.654 -99.4121 323.035 159.027 -63.4224 43.5967 200.602 PRESSAVG: 3568400 20.3721 34.6968 -77.2417 34.6968 -12.5158 10.8374 -77.2417 10.8374 7.42648 GPRESSAVG: 3568400 20.2777 30.9663 -78.274 35.2732 -13.9857 11.5042 -79.5398 10.9189 8.55892 TIMING: 3568400 CPU: 11341.7, 0.0032169/step Wall: 11341.7, 0.0032169/step, 1.27925 hours remaining, 239.324219 MB of memory in use. ENERGY: 3568400 3952.8813 20832.6744 14528.3355 233.5417 -203582.1850 2826.1851 0.0000 0.0000 51874.6489 -109333.9182 298.1243 -161208.5671 -108987.2732 299.5173 311.2294 332.7800 760809.1180 5.0943 4.9503 PRESSURE: 3568600 510.699 -76.1665 30.3857 -76.1673 -77.4741 -42.0265 30.3857 -42.0269 -388.29 GPRESSURE: 3568600 516.8 -150.873 32.0653 -58.8438 -57.8982 -65.6188 113.112 113.218 -327.09 PRESSAVG: 3568600 23.9037 -44.0234 11.4869 -44.0235 -7.1199 12.3529 11.4869 12.3529 12.3799 GPRESSAVG: 3568600 24.0127 -43.8628 12.2958 -44.4937 -6.09164 12.5671 10.9981 12.5648 10.9126 TIMING: 3568600 CPU: 11342.3, 0.00313875/step Wall: 11342.3, 0.00313875/step, 1.248 hours remaining, 239.324219 MB of memory in use. ENERGY: 3568600 4007.8712 20505.3849 14551.3910 218.5382 -202984.4820 2238.6975 0.0000 0.0000 52092.1252 -109370.4740 299.3742 -161462.5992 -109013.1560 299.9824 14.9784 43.9373 760408.8886 9.7213 9.6112 PRESSURE: 3568800 -116.826 -29.2314 -55.0241 -29.2309 -22.8952 -7.82751 -55.0236 -7.82818 -461.743 GPRESSURE: 3568800 -84.8427 69.9007 -117.469 -88.8216 -83.5942 36.3287 0.725426 -123.092 -359.167 PRESSAVG: 3568800 19.432 27.1632 -11.0467 27.1632 -41.5545 29.8151 -11.0468 29.8151 2.51911 GPRESSAVG: 3568800 19.2708 28.9452 -10.6099 27.5425 -42.0699 29.8208 -9.33409 28.8067 2.84047 TIMING: 3568800 CPU: 11342.9, 0.00314796/step Wall: 11342.9, 0.00314796/step, 1.25149 hours remaining, 239.324219 MB of memory in use. ENERGY: 3568800 4090.1045 20652.3093 14446.8796 265.0147 -203009.1464 2189.9801 0.0000 0.0000 52059.7226 -109305.1357 299.1879 -161364.8582 -108944.4394 299.5951 -200.4881 -175.8681 762631.8678 -6.5344 -6.6529 PRESSURE: 3569000 252.498 135.43 121.103 135.43 106.238 -36.2811 121.104 -36.2816 426.509 GPRESSURE: 3569000 335.553 8.74023 169.273 64.5962 130.907 -46.1888 63.9731 64.4582 413.272 PRESSAVG: 3569000 -49.992 -20.2235 67.0535 -20.2235 39.5102 -14.0994 67.0536 -14.0995 4.52791 GPRESSAVG: 3569000 -50.048 -22.9445 66.9738 -20.6881 39.4236 -14.2832 66.9485 -14.8056 4.84193 TIMING: 3569000 CPU: 11343.6, 0.00316578/step Wall: 11343.6, 0.00316578/step, 1.2584 hours remaining, 239.324219 MB of memory in use. ENERGY: 3569000 3997.4547 20522.7215 14545.7213 245.7882 -203481.2536 2609.0015 0.0000 0.0000 52166.3443 -109394.2221 299.8007 -161560.5664 -109033.2449 300.0817 261.7487 293.2442 759436.6235 -1.9846 -1.9275 PRESSURE: 3569200 -46.3144 44.1201 4.19802 44.1199 90.7556 24.6604 4.19831 24.6598 2.72218 GPRESSURE: 3569200 -65.1882 -40.3178 2.10047 7.85412 206.907 67.0538 -104.627 117.422 -12.1955 PRESSAVG: 3569200 -26.8096 -21.5729 1.78555 -21.5728 60.1803 -22.6817 1.78554 -22.6816 -7.65889 GPRESSAVG: 3569200 -26.321 -21.7622 2.89902 -19.5457 60.302 -22.1994 1.50525 -20.289 -8.36655 TIMING: 3569200 CPU: 11344.2, 0.00313226/step Wall: 11344.2, 0.00313226/step, 1.2449 hours remaining, 239.324219 MB of memory in use. ENERGY: 3569200 3976.4754 20559.6273 14479.1639 249.7474 -203222.2254 2539.7210 0.0000 0.0000 52033.7307 -109383.7598 299.0386 -161417.4905 -109030.9862 299.8375 15.7211 43.1745 760185.0880 8.5706 8.5381 PRESSURE: 3569400 -207.158 -80.3002 177.925 -80.2985 -27.8277 95.2087 177.925 95.2091 -177.293 GPRESSURE: 3569400 -88.2635 -53.9023 153.953 -80.8876 -81.6256 133.82 258.863 109.562 -140.046 PRESSAVG: 3569400 40.052 2.72117 24.9122 2.72118 -25.0746 65.5692 24.9122 65.5692 -2.02335 GPRESSAVG: 3569400 39.6368 5.299 22.9563 1.47162 -24.2373 65.9922 23.8702 64.9147 -2.55671 TIMING: 3569400 CPU: 11344.8, 0.00313909/step Wall: 11344.8, 0.00313909/step, 1.24744 hours remaining, 239.324219 MB of memory in use. ENERGY: 3569400 4066.0518 20444.6322 14480.3430 237.0474 -203399.3507 2563.4443 0.0000 0.0000 52162.7445 -109445.0875 299.7800 -161607.8320 -109078.5090 300.5182 -137.4263 -103.3118 760216.1804 4.3180 4.2809 PRESSURE: 3569600 -47.502 31.3246 92.7326 31.3252 -13.9741 172.834 92.7326 172.835 -245.546 GPRESSURE: 3569600 39.2826 -122.754 165.216 71.8315 -63.6509 153.167 -60.7459 162.991 -212.221 PRESSAVG: 3569600 -18.0929 44.5493 33.9961 44.5493 7.91375 46.9537 33.9962 46.9538 -1.8609 GPRESSAVG: 3569600 -17.9978 43.5107 35.159 43.8123 7.29899 46.0147 34.512 47.1251 -0.947559 TIMING: 3569600 CPU: 11345.5, 0.00314754/step Wall: 11345.5, 0.00314754/step, 1.25062 hours remaining, 239.324219 MB of memory in use. ENERGY: 3569600 3959.3374 20703.3338 14442.5828 258.7206 -203665.6785 2610.2482 0.0000 0.0000 52104.0233 -109587.4324 299.4425 -161691.4557 -109233.1748 299.8495 -102.3408 -78.8630 760668.2727 -4.0133 -3.8821 PRESSURE: 3569800 -77.1724 -153.619 -280.126 -153.618 -171.039 98.2453 -280.126 98.2435 3.03983 GPRESSURE: 3569800 -95.9632 -33.0146 -292.356 -312.918 -65.8179 123.807 -321.771 121.566 22.4074 PRESSAVG: 3569800 -59.6852 55.6466 21.5423 55.6465 53.1882 10.7451 21.5423 10.7451 -9.32148 GPRESSAVG: 3569800 -58.7639 58.2051 21.9958 56.5303 53.1048 11.1604 20.929 9.42235 -9.85885 TIMING: 3569800 CPU: 11346.1, 0.00314922/step Wall: 11346.1, 0.00314922/step, 1.25111 hours remaining, 239.324219 MB of memory in use. ENERGY: 3569800 4011.0728 20519.7236 14532.6801 253.9569 -203666.2373 2607.5845 0.0000 0.0000 52164.4802 -109576.7392 299.7900 -161741.2193 -109211.3885 299.9301 -81.7238 -46.4579 760307.9031 -5.2728 -5.1727 PRESSURE: 3570000 24.455 56.6194 -328.495 56.6186 43.4738 -130.243 -328.495 -130.242 -48.7242 GPRESSURE: 3570000 39.3288 67.6409 -228.383 82.4239 137.883 -81.7831 -215.526 -215.093 -60.4298 PRESSAVG: 3570000 -33.1086 29.9418 -51.3842 29.9417 28.3951 47.2233 -51.3842 47.2234 -11.7767 GPRESSAVG: 3570000 -33.3796 28.9313 -52.689 29.9164 28.3191 48.1937 -50.9891 46.9235 -11.5323 TIMING: 3570000 CPU: 11346.7, 0.00313526/step Wall: 11346.7, 0.00313526/step, 1.2454 hours remaining, 239.324219 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: 3570000 3932.1795 20622.6069 14391.5089 262.0464 -203396.1217 2681.5294 0.0000 0.0000 51857.2305 -109649.0201 298.0242 -161506.2506 -109289.5334 299.3162 6.4015 38.9273 761056.6344 -5.4968 -5.5309 PRESSURE: 3570200 -69.4201 300.115 99.8949 300.115 212.541 -57.0985 99.8955 -57.0989 -185.292 GPRESSURE: 3570200 -92.5865 227.374 138.107 265.727 258.352 50.2966 73.7377 -81.0964 -126.407 PRESSAVG: 3570200 -45.9168 25.1547 -46.3927 25.1547 31.4601 14.5939 -46.3927 14.5939 18.6282 GPRESSAVG: 3570200 -45.2472 25.5055 -45.9269 24.0799 32.2135 14.3737 -47.8739 15.7798 17.5776 TIMING: 3570200 CPU: 11347.3, 0.0031244/step Wall: 11347.3, 0.0031244/step, 1.24091 hours remaining, 239.324219 MB of memory in use. ENERGY: 3570200 3999.7400 20343.8936 14498.3411 261.0712 -203431.3480 2719.0067 0.0000 0.0000 52027.6670 -109581.6284 299.0037 -161609.2954 -109212.4014 299.0508 -14.0571 13.1197 760888.8330 1.3905 1.5146 PRESSURE: 3570400 -204.164 -2.62468 187.539 -2.62532 -81.1569 167.731 187.539 167.73 -235.19 GPRESSURE: 3570400 -205.865 -0.364103 220.362 1.79466 -9.08558 136.444 110.528 88.3286 -198.124 PRESSAVG: 3570400 -61.6692 -3.20229 3.53374 -3.20228 54.1019 -28.6572 3.53376 -28.6572 -10.4555 GPRESSAVG: 3570400 -62.7871 -3.28833 3.81038 -0.904311 54.2116 -27.866 4.91973 -28.1085 -9.46604 TIMING: 3570400 CPU: 11348, 0.00313006/step Wall: 11348, 0.00313006/step, 1.24298 hours remaining, 239.324219 MB of memory in use. ENERGY: 3570400 3956.9483 20607.8483 14401.0767 237.9933 -203007.0115 2166.7343 0.0000 0.0000 51984.0721 -109652.3385 298.7532 -161636.4106 -109284.1672 299.0714 -173.5036 -137.6917 761092.2322 -6.0076 -6.0138 PRESSURE: 3570600 -150.276 118.274 -191.879 118.273 -286.778 36.1938 -191.879 36.1947 -259.225 GPRESSURE: 3570600 -124.848 75.4609 -115.05 157.032 -173.992 11.6787 -196.222 10.4771 -299.407 PRESSAVG: 3570600 14.9696 13.413 -7.62283 13.413 0.320723 12.447 -7.62281 12.4471 -13.4824 GPRESSAVG: 3570600 16.201 13.0507 -7.50145 10.9413 0.265773 9.44182 -8.14684 12.0605 -14.217 TIMING: 3570600 CPU: 11348.6, 0.00315046/step Wall: 11348.6, 0.00315046/step, 1.25091 hours remaining, 239.324219 MB of memory in use. ENERGY: 3570600 3946.0858 20563.9887 14388.9595 235.3828 -203096.0684 2216.8118 0.0000 0.0000 51943.1046 -109801.7351 298.5177 -161744.8398 -109432.7416 298.7857 -232.0928 -199.4158 761622.0253 0.6026 0.7500 PRESSURE: 3570800 201.362 -6.87078 0.330294 -6.87173 121.005 -52.565 0.330394 -52.5636 -243.924 GPRESSURE: 3570800 308.149 -20.1281 -1.49839 59.545 119.349 -180.432 57.1187 -28.9177 -260.887 PRESSAVG: 3570800 8.94844 82.064 -5.29667 82.064 28.662 -89.771 -5.29662 -89.771 23.805 GPRESSAVG: 3570800 9.77562 84.5776 -6.35817 81.899 28.8631 -88.1475 -4.92798 -91.1624 23.2104 TIMING: 3570800 CPU: 11349.2, 0.00313545/step Wall: 11349.2, 0.00313545/step, 1.24477 hours remaining, 239.324219 MB of memory in use. ENERGY: 3570800 3908.9894 20461.1659 14462.0367 254.0604 -203436.1418 2599.5034 0.0000 0.0000 51806.3835 -109944.0024 297.7320 -161750.3859 -109573.7782 298.4012 26.1476 55.5368 760679.1088 20.4718 20.6163 PRESSURE: 3571000 -367.461 75.1577 -66.0348 75.1579 -15.1173 -81.7433 -66.0353 -81.7428 -139.798 GPRESSURE: 3571000 -431.688 103.135 -123.182 61.3935 22.7544 -44.7865 -36.3316 -64.8234 -49.6262 PRESSAVG: 3571000 -62.8377 25.3579 -34.0719 25.3579 40.8323 -45.0586 -34.072 -45.0586 -21.1238 GPRESSAVG: 3571000 -63.9411 21.9433 -33.4804 26.3436 40.8289 -45.2379 -34.6298 -41.9172 -20.359 TIMING: 3571000 CPU: 11349.8, 0.00311468/step Wall: 11349.8, 0.00311468/step, 1.23636 hours remaining, 239.324219 MB of memory in use. ENERGY: 3571000 4066.1979 20527.2604 14378.6411 255.2633 -203652.2762 2691.9478 0.0000 0.0000 51756.8825 -109976.0832 297.4475 -161732.9657 -109612.4824 298.5677 -174.1252 -152.8533 762174.3792 -14.3764 -14.4904 PRESSURE: 3571200 61.3779 -63.4622 -168.595 -63.462 -148.047 31.3358 -168.596 31.3358 -2.39552 GPRESSURE: 3571200 28.2658 -97.2621 -190.134 -60.5014 -83.0108 35.2966 -157.261 160.871 40.2633 PRESSAVG: 3571200 -0.886386 31.6256 -88.8204 31.6256 -16.9669 28.0499 -88.8204 28.0498 -7.59227 GPRESSAVG: 3571200 -0.399609 32.9852 -87.8214 31.2125 -16.6931 27.0058 -86.6098 29.5632 -8.15413 TIMING: 3571200 CPU: 11350.5, 0.00312883/step Wall: 11350.5, 0.00312883/step, 1.2418 hours remaining, 239.324219 MB of memory in use. ENERGY: 3571200 4036.7003 20600.0246 14383.1983 251.7520 -203838.7559 2745.2544 0.0000 0.0000 51950.8163 -109871.0101 298.5621 -161821.8263 -109500.7374 298.4610 -29.6883 -4.8272 760177.1952 -8.4819 -8.4156 PRESSURE: 3571400 -6.49356 -213.262 246.058 -213.261 103.972 160.43 246.058 160.43 -397.393 GPRESSURE: 3571400 -26.2657 -129.486 188.322 -263.07 139.96 138.43 157.74 198.429 -323.709 PRESSAVG: 3571400 39.2004 -25.3672 -18.0398 -25.3673 -14.6786 36.3935 -18.0398 36.3935 8.91386 GPRESSAVG: 3571400 38.9287 -25.906 -18.4446 -24.8755 -14.6379 39.2293 -20.679 34.1388 8.97811 TIMING: 3571400 CPU: 11351.1, 0.00313789/step Wall: 11351.1, 0.00313789/step, 1.24522 hours remaining, 239.324219 MB of memory in use. ENERGY: 3571400 4020.4195 20510.4299 14473.9494 252.5873 -203438.6418 2630.8714 0.0000 0.0000 51762.5730 -109787.8114 297.4802 -161550.3843 -109432.2610 298.6290 -99.9718 -70.0049 761919.1052 11.1452 11.0897 PRESSURE: 3571600 -56.4584 46.2095 -249.605 46.2094 -40.954 0.700367 -249.606 0.699973 50.4435 GPRESSURE: 3571600 15.2007 -10.5505 -236.124 -6.51078 -83.1122 -34.5612 -193.71 -17.7369 115.143 PRESSAVG: 3571600 17.4904 -28.124 -73.9502 -28.124 -21.9325 -14.8129 -73.9502 -14.8129 11.6899 GPRESSAVG: 3571600 18.2969 -28.8646 -73.2652 -27.4407 -23.7759 -14.9774 -71.518 -15.7609 12.5164 TIMING: 3571600 CPU: 11351.7, 0.00312321/step Wall: 11351.7, 0.00312321/step, 1.23922 hours remaining, 239.324219 MB of memory in use. ENERGY: 3571600 3936.1008 20576.7336 14517.8047 261.3841 -203669.4172 2684.4946 0.0000 0.0000 51919.1659 -109773.7336 298.3802 -161692.8995 -109404.0193 298.6785 -15.6563 15.7439 761970.0326 2.4159 2.3458 PRESSURE: 3571800 -233.17 -136.907 -136.33 -136.907 -93.325 32.2678 -136.33 32.2677 -242.59 GPRESSURE: 3571800 -291.058 -97.525 -96.1305 -27.621 65.7753 107.658 -79.5002 71.4267 -251.662 PRESSAVG: 3571800 -19.3116 10.9533 -19.206 10.9533 -10.8173 -15.9686 -19.206 -15.9687 -10.0576 GPRESSAVG: 3571800 -20.2343 13.0062 -20.0307 9.6073 -8.52739 -17.8102 -18.6729 -15.0483 -11.4153 TIMING: 3571800 CPU: 11352.4, 0.00313129/step Wall: 11352.4, 0.00313129/step, 1.24225 hours remaining, 239.324219 MB of memory in use. ENERGY: 3571800 3984.5798 20559.0137 14521.9042 254.6373 -204127.9977 2693.9451 0.0000 0.0000 52191.5851 -109922.3325 299.9458 -162113.9176 -109557.6002 299.5863 -189.6952 -158.9816 759181.0496 -13.3955 -13.3923 PRESSURE: 3572000 -123.818 51.2489 195.407 51.2491 -66.1117 132.05 195.406 132.05 261.202 GPRESSURE: 3572000 -13.0203 -64.4378 240.153 77.3809 -96.5443 89.8007 275.861 86.6793 265.412 PRESSAVG: 3572000 -10.684 9.51922 13.4011 9.51919 9.85573 28.3917 13.4011 28.3916 16.0001 GPRESSAVG: 3572000 -11.1278 7.33009 12.6456 11.4764 9.01005 28.7432 15.184 27.517 16.7252 TIMING: 3572000 CPU: 11353, 0.00311103/step Wall: 11353, 0.00311103/step, 1.23404 hours remaining, 239.324219 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: 3572000 3952.7794 20547.9617 14444.4881 248.6102 -203519.9627 2295.6178 0.0000 0.0000 52068.1015 -109962.4039 299.2361 -162030.5054 -109600.4329 299.3573 23.7576 51.9490 759241.8593 5.0573 4.8691 PRESSURE: 3572200 402.075 -1.12336 -11.7666 -1.12262 -66.3306 80.6452 -11.7665 80.6436 250.253 GPRESSURE: 3572200 373.488 34.6106 -148.111 21.9624 47.705 98.0965 22.2236 92.0946 244.846 PRESSAVG: 3572200 33.8229 -28.2148 10.3692 -28.2148 -61.2734 52.7136 10.3693 52.7136 15.4528 GPRESSAVG: 3572200 34.5215 -29.1594 10.5089 -26.2309 -60.7063 53.2885 8.16597 52.3074 14.6565 TIMING: 3572200 CPU: 11353.6, 0.0031062/step Wall: 11353.6, 0.0031062/step, 1.23195 hours remaining, 239.324219 MB of memory in use. ENERGY: 3572200 4069.4989 20577.2846 14508.9201 259.2240 -204069.6405 2863.9832 0.0000 0.0000 52022.9976 -109767.7322 298.9769 -161790.7297 -109400.2230 299.2495 195.3326 222.0130 758943.4556 -3.9992 -3.8428 LDB: ============= START OF LOAD BALANCING ============== 11366 LDB: ============== END OF LOAD BALANCING =============== 11366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11366 LDB: ============= START OF LOAD BALANCING ============== 11366.4 LDB: Largest compute 7075 load 0.033382 is 17.1% of average load 0.195351 LDB: Average compute 0.004392 is 2.2% of average load 0.195351 LDB: TIME 11366.4 LOAD: AVG 0.195351 MAX 0.214037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.895 MB LDB: TIME 11366.4 LOAD: AVG 0.195351 MAX 0.214037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.934 MB LDB: TIME 11366.4 LOAD: AVG 0.195351 MAX 0.214037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.934 MB LDB: ============== END OF LOAD BALANCING =============== 11366.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11366.4 PRESSURE: 3572400 -194.786 -155.181 -119.129 -155.182 -408.669 -126.21 -119.129 -126.209 -99.2303 GPRESSURE: 3572400 -138.74 -130.535 -97.0041 -52.7019 -405.264 -123.764 -6.99299 -218.005 -73.3122 PRESSAVG: 3572400 -32.8448 4.96513 -26.3648 4.96518 34.6387 -24.232 -26.3648 -24.2321 -23.1171 GPRESSAVG: 3572400 -33.545 7.63468 -27.3378 3.9574 34.5917 -24.5038 -24.6733 -24.3496 -22.6935 TIMING: 3572400 CPU: 11354.2, 0.00320076/step Wall: 11354.2, 0.00320076/step, 1.26928 hours remaining, 241.253906 MB of memory in use. ENERGY: 3572400 4058.8336 20687.0100 14535.6387 241.6723 -203612.6982 2405.9188 0.0000 0.0000 51966.0987 -109717.5260 298.6499 -161683.6248 -109369.8290 299.8273 -234.2284 -205.7720 760995.9620 -7.1077 -7.2156 PRESSURE: 3572600 -51.9492 -77.8609 -133.303 -77.8603 -115.555 -139.817 -133.303 -139.817 131.225 GPRESSURE: 3572600 -16.6715 -174.561 -184.736 -96.9628 -89.5844 -149.689 -145.283 -209.283 138.013 PRESSAVG: 3572600 35.2645 -40.7832 0.920869 -40.7831 -21.2698 -19.6403 0.920885 -19.6403 -6.9006 GPRESSAVG: 3572600 35.0437 -40.9099 3.97068 -41.1009 -21.5595 -19.7552 -1.62707 -19.8204 -6.80024 TIMING: 3572600 CPU: 11354.9, 0.00313888/step Wall: 11354.9, 0.00313888/step, 1.24457 hours remaining, 241.253906 MB of memory in use. ENERGY: 3572600 4073.3511 20471.1625 14538.9450 239.0978 -204060.5382 2787.9629 0.0000 0.0000 52206.3231 -109743.6958 300.0305 -161950.0189 -109378.5873 299.4203 -12.0930 10.5857 756613.0757 2.3647 2.2280 PRESSURE: 3572800 86.9575 152.723 -144.161 152.723 170.818 108.748 -144.16 108.747 93.1499 GPRESSURE: 3572800 67.9752 115.935 -253.975 114.956 233.081 122.664 -153.12 -72.2793 133.742 PRESSAVG: 3572800 -17.0135 -16.8292 -6.14368 -16.8292 13.0233 -22.7532 -6.1437 -22.7532 -1.96189 GPRESSAVG: 3572800 -16.5495 -15.4781 -7.92175 -19.8204 11.6806 -22.3664 -6.85684 -21.7279 -1.10972 TIMING: 3572800 CPU: 11355.5, 0.00312988/step Wall: 11355.5, 0.00312988/step, 1.24082 hours remaining, 241.253906 MB of memory in use. ENERGY: 3572800 4018.0119 20509.1398 14458.0046 240.0989 -203809.3793 2580.3236 0.0000 0.0000 52211.5930 -109792.2075 300.0607 -162003.8006 -109439.7376 299.6308 116.9752 144.9327 758138.2478 -1.9840 -1.9929 PRESSURE: 3573000 11.9551 18.2496 96.8188 18.2494 -123.274 195.222 96.819 195.223 341.391 GPRESSURE: 3573000 -3.24526 70.5146 103.58 -12.1687 11.0565 216.196 169.161 180.928 309.242 PRESSAVG: 3573000 32.6261 -8.79288 22.0807 -8.79286 -26.1194 -23.6747 22.0808 -23.6748 14.4728 GPRESSAVG: 3573000 31.4757 -11.5114 21.9212 -5.9173 -23.6597 -23.2062 23.7575 -24.2333 13.242 TIMING: 3573000 CPU: 11356.1, 0.00312793/step Wall: 11356.1, 0.00312793/step, 1.23988 hours remaining, 241.253906 MB of memory in use. ENERGY: 3573000 3988.1187 20538.7462 14382.9392 242.2991 -203798.2509 2609.7051 0.0000 0.0000 52054.0276 -109982.4151 299.1552 -162036.4427 -109610.2290 299.5094 76.6906 105.6846 757503.9335 6.9932 7.0193 PRESSURE: 3573200 256.735 -66.4669 -105.599 -66.4666 -61.0793 109.083 -105.598 109.083 -460.279 GPRESSURE: 3573200 351.854 64.0059 -88.714 -22.4841 -109.744 22.4565 -133.303 106.491 -435.346 PRESSAVG: 3573200 -5.91358 35.0655 42.5923 35.0655 -5.97405 -1.56871 42.5922 -1.56874 -16.9184 GPRESSAVG: 3573200 -4.95791 37.1443 42.0009 34.2153 -6.36679 -3.64246 41.8683 0.659449 -17.0875 TIMING: 3573200 CPU: 11356.7, 0.00312204/step Wall: 11356.7, 0.00312204/step, 1.23737 hours remaining, 241.253906 MB of memory in use. ENERGY: 3573200 4016.5700 20727.3021 14383.3029 231.0096 -203925.9032 2670.7631 0.0000 0.0000 51963.7686 -109933.1869 298.6365 -161896.9555 -109573.4029 299.0354 -88.2078 -64.4118 759210.9856 -9.6020 -9.4707 PRESSURE: 3573400 -135.582 115.841 200.723 115.841 -185.31 198.413 200.724 198.411 -158.783 GPRESSURE: 3573400 -175.159 86.5487 149.689 -4.74319 -39.2436 247.871 126.126 221.066 -171.637 PRESSAVG: 3573400 29.0396 39.4322 22.0413 39.4322 -13.1017 -9.90294 22.0413 -9.903 -7.74353 GPRESSAVG: 3573400 28.0798 39.9582 23.6488 36.9541 -13.1976 -9.15636 24.2019 -9.80488 -6.39247 TIMING: 3573400 CPU: 11357.4, 0.00313882/step Wall: 11357.4, 0.00313882/step, 1.24384 hours remaining, 241.253906 MB of memory in use. ENERGY: 3573400 3983.4666 20503.7414 14523.2986 241.6518 -203830.5167 2669.6156 0.0000 0.0000 52288.2139 -109620.5288 300.5011 -161908.7427 -109252.0722 299.1436 -159.8915 -128.6799 760184.1022 2.7315 2.8299 PRESSURE: 3573600 -262.872 -55.6376 236.487 -55.6378 -67.6669 -52.8469 236.487 -52.8462 -97.2178 GPRESSURE: 3573600 -322.363 -9.31367 113.725 -70.4982 21.7956 -92.0101 338.619 -63.6273 -45.3682 PRESSAVG: 3573600 6.49497 28.6947 14.0725 28.6947 59.208 -13.9412 14.0725 -13.9411 30.2433 GPRESSAVG: 3573600 6.30804 25.6784 14.0447 31.6521 59.6678 -13.2846 12.8262 -15.6446 29.7566 TIMING: 3573600 CPU: 11358, 0.00313819/step Wall: 11358, 0.00313819/step, 1.24342 hours remaining, 241.253906 MB of memory in use. ENERGY: 3573600 4033.3094 20678.6946 14414.2589 246.5502 -203241.3120 2451.7494 0.0000 0.0000 52075.0906 -109341.6589 299.2763 -161416.7495 -108969.6130 299.7664 -142.5856 -115.3117 760722.7168 31.9821 31.9108 PRESSURE: 3573800 -333.481 -44.5604 -45.3077 -44.56 -192.282 -231.27 -45.3079 -231.27 -154.209 GPRESSURE: 3573800 -298.013 -176.423 -38.1439 -59.5224 -198.834 -296.05 -81.1523 -214.933 -89.6344 PRESSAVG: 3573800 1.46373 -26.0498 30.8879 -26.0498 -24.48 -30.6716 30.8879 -30.6717 -29.5363 GPRESSAVG: 3573800 1.70491 -23.3062 30.4479 -27.9669 -25.5694 -30.7699 28.9391 -32.5061 -29.1212 TIMING: 3573800 CPU: 11358.6, 0.00315865/step Wall: 11358.6, 0.00315865/step, 1.25135 hours remaining, 241.253906 MB of memory in use. ENERGY: 3573800 3947.2440 20597.6519 14446.2462 253.5401 -203125.4242 2409.2483 0.0000 0.0000 52120.5160 -109350.9777 299.5373 -161471.4936 -108996.4287 300.1527 -226.6575 -195.4937 762799.6400 -17.5175 -17.6619 PRESSURE: 3574000 -294.302 -27.9949 -116.269 -27.9944 -255.368 4.3527 -116.269 4.35293 -263.534 GPRESSURE: 3574000 -275.382 -114.222 -87.7487 -56.2098 -283.11 39.8157 -136.869 1.56315 -173.403 PRESSAVG: 3574000 -6.21889 -32.6666 26.4277 -32.6666 0.593124 13.3357 26.4277 13.3357 34.865 GPRESSAVG: 3574000 -5.01511 -33.4619 27.6728 -33.1107 0.867385 12.2418 28.2451 16.6337 33.8683 TIMING: 3574000 CPU: 11359.3, 0.00313509/step Wall: 11359.3, 0.00313509/step, 1.24184 hours remaining, 241.253906 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: 3574000 3967.5687 20655.5093 14416.7473 237.9231 -203088.5132 2258.0260 0.0000 0.0000 52075.3615 -109477.3772 299.2778 -161552.7387 -109119.2977 299.9514 -271.0682 -243.9652 759199.2182 9.7464 9.9069 PRESSURE: 3574200 270.14 -237.29 -5.04908 -237.289 -328.251 147.476 -5.04918 147.475 487.373 GPRESSURE: 3574200 274.537 -219.568 -59.9664 -168.969 -220.965 68.3341 100.662 127.676 477.138 PRESSAVG: 3574200 11.5377 -66.1246 22.5441 -66.1246 -24.4292 -15.0433 22.5441 -15.0433 18.3499 GPRESSAVG: 3574200 11.7895 -64.0435 21.4849 -64.1149 -24.8706 -13.7845 19.9234 -18.1992 18.892 TIMING: 3574200 CPU: 11359.9, 0.00311924/step Wall: 11359.9, 0.00311924/step, 1.23539 hours remaining, 241.253906 MB of memory in use. ENERGY: 3574200 3966.2718 20569.1625 14465.7828 252.4889 -203493.8410 2775.6878 0.0000 0.0000 52133.3879 -109331.0594 299.6113 -161464.4473 -108962.3729 299.9831 143.0874 176.9032 761343.9377 1.8194 1.9370 PRESSURE: 3574400 124.316 34.4069 -46.0674 34.4072 -245.09 139.94 -46.0677 139.94 -186.855 GPRESSURE: 3574400 131.76 81.9678 -69.1352 7.1732 -210.326 70.7116 -19.8869 146.51 -150.092 PRESSAVG: 3574400 -13.152 -17.1133 13.9441 -17.1134 41.5065 -28.1898 13.9441 -28.1898 -9.15392 GPRESSAVG: 3574400 -14.6708 -16.6296 13.6727 -19.5514 42.7412 -29.3561 17.6228 -24.975 -8.37346 TIMING: 3574400 CPU: 11360.5, 0.00315055/step Wall: 11360.5, 0.00315055/step, 1.24762 hours remaining, 241.253906 MB of memory in use. ENERGY: 3574400 4033.5068 20495.4763 14371.5517 245.8195 -203220.1471 2551.9884 0.0000 0.0000 52265.3541 -109256.4503 300.3697 -161521.8043 -108884.4999 300.0701 -102.5432 -76.2192 760594.4400 6.4002 6.5656 PRESSURE: 3574600 -181.161 3.06214 -93.4084 3.06252 260.08 -29.2162 -93.4095 -29.2166 -536.621 GPRESSURE: 3574600 -125.979 -23.0032 -53.6823 17.5712 261.466 -14.6005 -43.6903 41.5161 -488.783 PRESSAVG: 3574600 34.3435 -17.611 -13.7591 -17.6109 -37.2832 -31.1797 -13.7591 -31.1796 -3.70941 GPRESSAVG: 3574600 34.9974 -18.0361 -14.1724 -14.0043 -36.5295 -30.4358 -15.0945 -32.6021 -4.77445 TIMING: 3574600 CPU: 11361.1, 0.00315671/step Wall: 11361.1, 0.00315671/step, 1.24988 hours remaining, 241.253906 MB of memory in use. ENERGY: 3574600 4018.3019 20439.6606 14465.3404 237.2320 -203348.5819 2602.2991 0.0000 0.0000 52179.4468 -109406.3012 299.8760 -161585.7480 -109038.5368 300.1880 -152.5671 -117.7654 760785.9082 -2.2163 -2.1022 PRESSURE: 3574800 -162.218 112.344 -117.646 112.345 153.224 24.8484 -117.646 24.849 168.615 GPRESSURE: 3574800 -110.516 58.1671 -124.309 51.7235 153.169 82.7283 -40.4716 -0.418609 207.253 PRESSAVG: 3574800 42.249 -15.4886 35.0334 -15.4887 -26.5573 36.779 35.0334 36.7791 -5.6079 GPRESSAVG: 3574800 41.3755 -15.1054 34.1087 -17.315 -28.2071 37.701 36.1281 37.6946 -3.17936 TIMING: 3574800 CPU: 11361.8, 0.00316096/step Wall: 11361.8, 0.00316096/step, 1.25139 hours remaining, 241.253906 MB of memory in use. ENERGY: 3574800 3931.4745 20339.7822 14482.1116 246.3914 -203486.6904 2623.7256 0.0000 0.0000 52296.7770 -109566.4281 300.5503 -161863.2052 -109193.4791 299.3007 53.2069 83.3020 759517.3210 3.3613 3.3297 PRESSURE: 3575000 -538.796 242.842 65.9111 242.842 183.518 119.294 65.9115 119.294 49.1691 GPRESSURE: 3575000 -418.93 140.895 93.4094 329.683 140.944 168.975 48.2666 99.1063 80.2483 PRESSAVG: 3575000 33.0111 -32.784 0.426117 -32.7839 -49.3928 34.6039 0.426098 34.604 -1.04223 GPRESSAVG: 3575000 35.0226 -34.6801 2.01075 -30.5299 -49.4018 33.4607 -0.58362 33.7483 -2.53988 TIMING: 3575000 CPU: 11362.4, 0.00317711/step Wall: 11362.4, 0.00317711/step, 1.25761 hours remaining, 241.253906 MB of memory in use. ENERGY: 3575000 4017.2438 20351.2195 14461.0970 254.3292 -203085.8965 2197.0794 0.0000 0.0000 52179.1919 -109625.7357 299.8745 -161804.9276 -109268.8046 299.1449 -102.0364 -65.9125 761361.3941 -5.8080 -5.6397 PRESSURE: 3575200 74.4808 -151.536 30.288 -151.535 -19.911 197.588 30.2878 197.59 83.9291 GPRESSURE: 3575200 163.651 -225.928 85.5972 -14.4954 -37.1396 197.897 56.004 183.993 88.9081 PRESSAVG: 3575200 57.3528 15.1065 -21.0293 15.1065 -39.5684 19.1502 -21.0294 19.1503 11.6263 GPRESSAVG: 3575200 56.3582 16.3931 -20.2553 12.5026 -38.172 17.7174 -20.1316 18.36 10.9398 TIMING: 3575200 CPU: 11363, 0.00316796/step Wall: 11363, 0.00316796/step, 1.25381 hours remaining, 241.253906 MB of memory in use. ENERGY: 3575200 3997.8438 20482.0260 14487.1926 254.3093 -203381.5598 2457.8259 0.0000 0.0000 52050.5935 -109651.7685 299.1355 -161702.3620 -109286.0034 298.7432 46.1663 71.8064 759721.2499 9.8036 9.7087 PRESSURE: 3575400 -95.0726 103.69 133.238 103.689 114.759 -157.028 133.238 -157.029 29.9455 GPRESSURE: 3575400 -110.605 93.7844 202.675 187.499 165.316 -266.096 156.062 -57.7863 73.8403 PRESSAVG: 3575400 16.6353 -21.0308 9.34651 -21.0307 -12.4939 -57.5429 9.34647 -57.5429 -27.5187 GPRESSAVG: 3575400 17.072 -20.8506 9.57355 -20.5663 -13.0754 -56.3813 8.47707 -57.1413 -27.0483 TIMING: 3575400 CPU: 11363.7, 0.00313024/step Wall: 11363.7, 0.00313024/step, 1.2387 hours remaining, 241.253906 MB of memory in use. ENERGY: 3575400 3938.8337 20344.9806 14368.9661 228.6285 -203321.7413 2674.8037 0.0000 0.0000 52210.7166 -109554.8120 300.0557 -161765.5286 -109194.7148 298.4330 16.5441 42.8502 760358.0981 -7.7924 -7.6839 PRESSURE: 3575600 -144.201 163.196 -176.605 163.195 -56.8044 56.8775 -176.605 56.8778 -921.144 GPRESSURE: 3575600 -118.066 205.208 -171.936 112.754 -11.113 43.4713 -104.664 -38.8152 -902.248 PRESSAVG: 3575600 11.9341 31.7493 -45.2664 31.7493 -1.88982 4.77756 -45.2664 4.7775 -12.4944 GPRESSAVG: 3575600 11.2645 31.0183 -46.7271 31.8404 -2.131 5.60173 -44.6663 3.11512 -11.7278 TIMING: 3575600 CPU: 11364.3, 0.00314527/step Wall: 11364.3, 0.00314527/step, 1.24448 hours remaining, 241.253906 MB of memory in use. ENERGY: 3575600 3967.9531 20505.8695 14459.1784 242.4894 -203253.5624 2361.6048 0.0000 0.0000 52243.7070 -109472.7602 300.2453 -161716.4671 -109098.5360 299.4096 -374.0500 -343.8089 760645.2586 -0.8167 -0.8648 PRESSURE: 3575800 -174.939 -6.57297 0.447523 -6.57321 -183.98 144.406 0.44857 144.406 -147.599 GPRESSURE: 3575800 -195.787 -7.93851 92.1107 116.962 -123.623 174.922 11.3445 181.375 -89.8393 PRESSAVG: 3575800 -10.0786 -19.8645 2.35395 -19.8645 30.4403 35.711 2.35392 35.711 29.7859 GPRESSAVG: 3575800 -9.21213 -19.1903 2.69892 -20.1063 31.209 35.4292 2.95981 34.745 28.1881 TIMING: 3575800 CPU: 11364.9, 0.00313323/step Wall: 11364.9, 0.00313323/step, 1.23954 hours remaining, 241.253906 MB of memory in use. ENERGY: 3575800 4011.2566 20535.4817 14435.3313 258.9553 -203020.3965 2286.2972 0.0000 0.0000 52153.8516 -109339.2229 299.7289 -161493.0744 -108979.4187 299.6454 -168.8394 -136.4166 760138.7962 16.7159 16.7283 PRESSURE: 3576000 -104.117 89.3431 -156.227 89.3432 91.0537 -214.181 -156.227 -214.181 -303.662 GPRESSURE: 3576000 -6.32986 171.273 -93.2243 58.8448 14.5068 -142.198 -168.335 -46.9907 -227.648 PRESSAVG: 3576000 1.25645 39.7362 -13.5437 39.7362 9.74497 23.8351 -13.5437 23.8351 -14.3953 GPRESSAVG: 3576000 1.55797 39.0614 -13.6737 39.5941 8.37421 23.5973 -12.5742 27.5099 -12.8667 TIMING: 3576000 CPU: 11365.5, 0.00312995/step Wall: 11365.5, 0.00312995/step, 1.23807 hours remaining, 241.253906 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: 3576000 3996.4535 20433.1782 14395.6137 255.4844 -203333.6107 2536.5218 0.0000 0.0000 52228.0803 -109488.2789 300.1555 -161716.3592 -109121.6914 299.5319 -105.5751 -73.1570 761744.6616 -1.1313 -0.9782 PRESSURE: 3576200 -94.0077 7.95821 -122.354 7.95836 -6.24779 183.048 -122.355 183.048 -52.8226 GPRESSURE: 3576200 -41.7841 -16.2863 -67.3055 63.4033 132.729 124.348 -82.9806 232.871 -157.923 PRESSAVG: 3576200 41.221 -16.24 36.4085 -16.24 -21.4535 -8.25007 36.4085 -8.25008 22.9325 GPRESSAVG: 3576200 40.2947 -16.7093 36.4546 -16.2899 -19.8748 -8.39392 35.0393 -9.64375 22.9591 TIMING: 3576200 CPU: 11366.2, 0.00313539/step Wall: 11366.2, 0.00313539/step, 1.24005 hours remaining, 241.253906 MB of memory in use. ENERGY: 3576200 3992.6024 20391.3754 14499.4899 249.8188 -203639.2078 2717.9024 0.0000 0.0000 52323.8885 -109464.1304 300.7061 -161788.0189 -109096.8742 299.1209 -51.0260 -22.3260 761742.2639 14.2333 14.4597 LDB: ============= START OF LOAD BALANCING ============== 11378.6 LDB: ============== END OF LOAD BALANCING =============== 11378.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11378.6 LDB: ============= START OF LOAD BALANCING ============== 11378.9 LDB: Largest compute 7075 load 0.034085 is 17.4% of average load 0.195363 LDB: Average compute 0.004407 is 2.3% of average load 0.195363 LDB: TIME 11378.9 LOAD: AVG 0.195363 MAX 0.213398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11378.9 LOAD: AVG 0.195363 MAX 0.213398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 11378.9 LOAD: AVG 0.195363 MAX 0.213398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 11378.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11379 PRESSURE: 3576400 -101.229 155.883 -57.1389 155.883 -29.0001 -40.049 -57.1395 -40.0488 287.349 GPRESSURE: 3576400 -3.56123 191.848 -59.7731 -35.4962 -113.139 -25.9201 -144.115 -21.2769 350.752 PRESSAVG: 3576400 -4.66285 -5.42919 13.8558 -5.42919 -46.7752 12.8539 13.8558 12.8538 10.521 GPRESSAVG: 3576400 -4.38141 -4.63035 16.0379 -5.53963 -46.8925 13.3032 12.4272 12.6456 9.80034 TIMING: 3576400 CPU: 11366.8, 0.00320822/step Wall: 11366.8, 0.00320822/step, 1.26867 hours remaining, 241.320312 MB of memory in use. ENERGY: 3576400 3985.9554 20644.3815 14484.9989 253.5638 -203158.3869 2498.0915 0.0000 0.0000 51999.5742 -109291.8215 298.8423 -161291.3957 -108927.6356 299.3628 52.3734 78.0171 761776.7327 -13.6390 -13.8245 PRESSURE: 3576600 140.783 -24.0454 -259.955 -24.0455 95.8176 -48.3309 -259.955 -48.3318 -133.519 GPRESSURE: 3576600 178.13 -56.8926 -276.744 -3.53312 104.433 -137.596 -325.716 -201.549 -110.501 PRESSAVG: 3576600 5.641 48.0902 30.0986 48.0902 6.39431 44.088 30.0986 44.088 -1.37524 GPRESSAVG: 3576600 4.28961 47.8202 27.7105 48.8982 6.31945 41.9631 30.2652 46.9224 0.203832 TIMING: 3576600 CPU: 11367.4, 0.00313126/step Wall: 11367.4, 0.00313126/step, 1.23806 hours remaining, 241.523438 MB of memory in use. ENERGY: 3576600 3992.8113 20579.0836 14512.2598 242.3321 -203540.6485 2651.7006 0.0000 0.0000 52335.9061 -109226.5551 300.7752 -161562.4611 -108851.5971 299.7304 34.3605 57.3539 761060.2898 3.5534 3.6043 PRESSURE: 3576800 -179.26 78.8908 -204.331 78.8902 75.7514 25.0468 -204.331 25.0469 -29.4088 GPRESSURE: 3576800 -78.7128 96.8667 -177.836 84.8854 24.4476 77.3005 -111.151 -60.5454 2.00874 PRESSAVG: 3576800 -14.5776 47.2388 -48.5072 47.2388 22.7216 -13.0463 -48.5073 -13.0463 5.57866 GPRESSAVG: 3576800 -14.1014 45.8837 -48.8872 45.8338 23.5677 -11.5227 -46.5624 -15.9831 4.13284 TIMING: 3576800 CPU: 11368.1, 0.0031198/step Wall: 11368.1, 0.0031198/step, 1.23336 hours remaining, 241.523438 MB of memory in use. ENERGY: 3576800 3893.1749 20673.8993 14456.3863 242.5180 -203598.3558 2653.9496 0.0000 0.0000 52213.5353 -109464.8923 300.0719 -161678.4276 -109102.9618 299.2788 -44.3059 -17.4188 761066.7880 4.5742 4.5331 PRESSURE: 3577000 38.9715 227.546 -149.816 227.545 -27.7962 -114.286 -149.816 -114.286 -445.693 GPRESSURE: 3577000 104.163 227.952 -164.132 185.223 -21.6255 -86.054 -211.713 -206.587 -459.486 PRESSAVG: 3577000 -47.8782 -31.5934 7.68947 -31.5934 33.7594 20.9351 7.68943 20.9351 -18.1859 GPRESSAVG: 3577000 -47.3879 -31.5148 7.7173 -31.5142 32.5747 21.6663 7.6779 19.3055 -17.8595 TIMING: 3577000 CPU: 11368.7, 0.00313389/step Wall: 11368.7, 0.00313389/step, 1.23876 hours remaining, 241.523438 MB of memory in use. ENERGY: 3577000 4045.2245 20538.3409 14405.5610 243.7639 -203335.4389 2437.6841 0.0000 0.0000 52192.9202 -109471.9443 299.9534 -161664.8645 -109098.4950 299.4622 -144.8392 -125.6495 759392.9213 -10.7682 -10.8909 PRESSURE: 3577200 28.3141 43.0566 -146 43.0572 102.234 -87.5665 -145.999 -87.5663 435.066 GPRESSURE: 3577200 146.49 37.5369 -162.532 98.2237 70.9066 -35.5674 -163.327 33.1884 425.093 PRESSAVG: 3577200 -5.61131 6.83748 -53.9659 6.83745 3.84938 -2.79244 -53.966 -2.79248 -5.76787 GPRESSAVG: 3577200 -4.87858 7.22574 -54.0431 6.50963 4.35698 -3.70944 -55.7754 -0.296443 -6.22473 TIMING: 3577200 CPU: 11369.3, 0.00314822/step Wall: 11369.3, 0.00314822/step, 1.24424 hours remaining, 241.523438 MB of memory in use. ENERGY: 3577200 3980.6481 20511.0480 14442.2170 233.6912 -203240.7266 2484.6625 0.0000 0.0000 52067.8771 -109520.5827 299.2348 -161588.4598 -109152.8878 298.8292 188.5381 214.1632 760913.2135 -2.5099 -2.2488 PRESSURE: 3577400 -513.136 45.4993 -55.3618 45.4985 -184.424 -45.0984 -55.3615 -45.0983 -198.329 GPRESSURE: 3577400 -412.169 -24.3983 -5.02463 60.4609 -223.152 -21.1173 -68.3547 -46.0704 -190.642 PRESSAVG: 3577400 -37.2048 51.9667 2.80284 51.9668 29.5414 25.3385 2.80291 25.3385 -5.65394 GPRESSAVG: 3577400 -37.9409 52.8722 2.0857 53.3359 28.3174 25.9673 2.98535 24.9633 -3.98143 TIMING: 3577400 CPU: 11370, 0.00315827/step Wall: 11370, 0.00315827/step, 1.24804 hours remaining, 241.523438 MB of memory in use. ENERGY: 3577400 3983.8776 20666.0438 14479.8541 258.4998 -202907.5002 2029.5807 0.0000 0.0000 51913.9086 -109575.7355 298.3499 -161489.6440 -109214.2611 299.3630 -298.6296 -275.3211 760725.2101 -4.4391 -4.5350 PRESSURE: 3577600 307.586 36.6963 28.8275 36.6962 376.823 174.847 28.828 174.846 277.946 GPRESSURE: 3577600 286.894 -6.92257 96.4123 51.6796 349.181 176.229 35.474 244.898 414.177 PRESSAVG: 3577600 -40.1702 2.61006 -1.57389 2.60998 7.58197 24.2918 -1.57388 24.2918 23.4175 GPRESSAVG: 3577600 -40.0386 1.05897 -0.47721 1.35418 8.80214 24.4031 -1.88335 25.3239 22.0833 TIMING: 3577600 CPU: 11370.6, 0.00312709/step Wall: 11370.6, 0.00312709/step, 1.23555 hours remaining, 241.523438 MB of memory in use. ENERGY: 3577600 3974.7025 20553.9948 14430.5442 235.9460 -203679.3764 2804.7048 0.0000 0.0000 51984.4295 -109695.0546 298.7552 -161679.4841 -109326.7549 298.7849 320.7849 350.0839 758231.5201 -3.0569 -3.0511 PRESSURE: 3577800 162.206 -25.9067 -47.9514 -25.9074 -268.952 102.021 -47.9505 102.022 -238.06 GPRESSURE: 3577800 58.6992 -7.34378 -26.4858 -39.5859 -36.9058 49.6344 63.231 -17.8155 -286.247 PRESSAVG: 3577800 -49.0587 -19.7222 19.516 -19.7222 83.2308 12.4464 19.516 12.4464 13.2832 GPRESSAVG: 3577800 -49.813 -18.9761 19.5716 -19.1125 85.1824 10.5306 21.5297 12.2845 12.3773 TIMING: 3577800 CPU: 11371.2, 0.00313122/step Wall: 11371.2, 0.00313122/step, 1.23701 hours remaining, 241.523438 MB of memory in use. ENERGY: 3577800 3922.9439 20436.2740 14466.7129 214.3014 -203596.4405 2538.5525 0.0000 0.0000 52163.7738 -109853.8821 299.7859 -162017.6559 -109488.2221 298.9625 -114.9354 -88.1513 759218.8049 15.8184 15.9156 PRESSURE: 3578000 -52.5585 -110.334 -224.16 -110.333 294.572 -145.06 -224.16 -145.06 390.429 GPRESSURE: 3578000 11.8892 -96.5879 -178.814 -100.148 317.455 -87.6871 -167.893 -262.893 380.629 PRESSAVG: 3578000 -11.4709 -5.18138 7.34329 -5.18135 45.3893 -30.737 7.3433 -30.7371 1.34077 GPRESSAVG: 3578000 -10.4396 -4.57683 7.77386 -5.6572 43.7691 -30.5598 5.87379 -31.9006 2.02546 TIMING: 3578000 CPU: 11371.8, 0.0031464/step Wall: 11371.8, 0.0031464/step, 1.24283 hours remaining, 241.523438 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: 3578000 3978.1291 20560.4768 14432.6254 248.4928 -203532.8413 2599.2115 0.0000 0.0000 51730.7502 -109983.1554 297.2973 -161713.9056 -109614.4890 298.6266 210.8142 236.6577 759759.4583 11.7530 11.7850 PRESSURE: 3578200 -334.064 85.1651 -48.5689 85.1654 5.58336 22.9631 -48.5683 22.9631 -305.574 GPRESSURE: 3578200 -314.57 16.1241 -44.3413 80.2172 -46.2304 58.1301 -184.948 29.3257 -201.131 PRESSAVG: 3578200 -59.4289 -5.54874 -11.6548 -5.54877 47.1752 23.4124 -11.6547 23.4123 10.6217 GPRESSAVG: 3578200 -60.0218 -4.26762 -12.1615 -5.57368 47.4047 24.3749 -12.1903 24.3396 11.11 TIMING: 3578200 CPU: 11372.5, 0.00313249/step Wall: 11372.5, 0.00313249/step, 1.23716 hours remaining, 241.523438 MB of memory in use. ENERGY: 3578200 4033.8909 20500.6642 14452.7894 240.5113 -203442.6359 2516.7857 0.0000 0.0000 51760.1743 -109937.8200 297.4664 -161697.9944 -109574.7140 298.3470 -211.3518 -187.3106 760854.8159 -0.5440 -0.5023 PRESSURE: 3578400 -67.8931 41.0423 0.202485 41.0418 216.849 -70.6354 0.201483 -70.6352 -292.287 GPRESSURE: 3578400 117.973 6.61605 -90.8816 68.5851 103.765 -156.969 4.17807 -40.9266 -279.324 PRESSAVG: 3578400 -5.70913 -5.5023 -83.3614 -5.50228 26.6306 -3.38757 -83.3614 -3.38752 12.73 GPRESSAVG: 3578400 -4.14354 -5.47813 -85.2095 -6.24112 25.3559 -1.7323 -83.7116 -4.19283 12.5587 TIMING: 3578400 CPU: 11373.1, 0.0031411/step Wall: 11373.1, 0.0031411/step, 1.24038 hours remaining, 241.523438 MB of memory in use. ENERGY: 3578400 3997.3822 20385.0621 14485.8301 236.9349 -203681.8442 2449.5702 0.0000 0.0000 52103.0007 -110024.0640 299.4367 -162127.0648 -109652.2570 298.5634 -47.7768 -19.1955 759672.4530 11.2171 11.2570 PRESSURE: 3578600 243.52 29.4365 73.1766 29.4374 11.2511 -2.48272 73.1759 -2.48392 -49.6505 GPRESSURE: 3578600 231.561 55.4201 84.0286 -19.7608 27.3357 21.569 136.599 98.929 48.4093 PRESSAVG: 3578600 -7.39776 -31.4332 -43.1883 -31.4332 -1.72348 48.5281 -43.1884 48.5281 -11.8086 GPRESSAVG: 3578600 -8.47517 -34.4618 -41.3126 -28.2223 -0.203817 46.8007 -43.5277 49.6513 -11.9836 TIMING: 3578600 CPU: 11373.7, 0.0031405/step Wall: 11373.7, 0.0031405/step, 1.23997 hours remaining, 241.523438 MB of memory in use. ENERGY: 3578600 4040.5255 20426.7610 14459.7083 248.4794 -203968.0710 2741.7848 0.0000 0.0000 52172.9832 -109877.8288 299.8389 -162050.8120 -109513.0811 298.3346 68.3737 102.4355 759805.4760 -6.9766 -6.8875 PRESSURE: 3578800 -249.203 77.2546 105.577 77.255 250.835 -32.8547 105.577 -32.855 98.9423 GPRESSURE: 3578800 -173.068 62.1872 193.552 -60.8845 263.393 -25.51 95.6114 -41.4249 83.4915 PRESSAVG: 3578800 -74.1093 26.8922 -30.6635 26.8922 93.2577 26.1862 -30.6635 26.1863 5.83913 GPRESSAVG: 3578800 -73.0417 28.293 -30.5169 25.7275 92.735 24.6183 -30.9409 26.1226 5.33816 TIMING: 3578800 CPU: 11374.3, 0.00314267/step Wall: 11374.3, 0.00314267/step, 1.24066 hours remaining, 241.523438 MB of memory in use. ENERGY: 3578800 3986.9070 20631.2833 14447.7114 258.4522 -203563.6850 2540.5393 0.0000 0.0000 52050.6240 -109648.1676 299.1357 -161698.7916 -109287.5318 299.0860 33.5248 57.9388 760340.2478 8.3292 8.3438 PRESSURE: 3579000 -217.356 168.472 -108.479 168.471 -327.954 -83.0805 -108.479 -83.0802 -33.0945 GPRESSURE: 3579000 -189.516 95.843 -73.6539 74.2988 -330.656 -156.805 -114.966 -168.388 8.12926 PRESSAVG: 3579000 -23.934 -2.5079 -12.6344 -2.50786 13.0608 -65.6749 -12.6344 -65.6749 7.00386 GPRESSAVG: 3579000 -24.5444 -3.05987 -14.8748 -2.37462 13.2719 -63.0796 -12.0643 -66.6674 7.74533 TIMING: 3579000 CPU: 11375, 0.00315409/step Wall: 11375, 0.00315409/step, 1.24499 hours remaining, 241.523438 MB of memory in use. ENERGY: 3579000 3959.9064 20385.5843 14447.8057 239.5682 -203178.2226 2223.5000 0.0000 0.0000 52097.4708 -109824.3872 299.4049 -161921.8580 -109461.2463 298.7792 -192.8016 -170.6811 761581.0343 -1.2898 -1.1757 PRESSURE: 3579200 -72.2324 227.313 35.3381 227.312 348.006 41.7507 35.3383 41.7493 73.5008 GPRESSURE: 3579200 40.7511 344.898 26.8992 173.685 428.403 30.5258 -18.5385 140.012 -9.94467 PRESSAVG: 3579200 -68.8573 6.75804 -72.8203 6.75805 42.764 -38.7841 -72.8202 -38.7841 1.88316 GPRESSAVG: 3579200 -68.7956 5.96341 -70.901 7.2645 42.8129 -42.3533 -73.1514 -39.7189 2.41372 TIMING: 3579200 CPU: 11375.6, 0.00317513/step Wall: 11375.6, 0.00317513/step, 1.25312 hours remaining, 241.523438 MB of memory in use. ENERGY: 3579200 4047.2974 20437.0148 14470.6734 259.0757 -203483.8879 2531.4282 0.0000 0.0000 51749.9825 -109988.4158 297.4079 -161738.3983 -109623.9307 297.9701 116.4247 153.0698 760478.1885 -8.0700 -7.8563 PRESSURE: 3579400 -164.038 88.4515 -110.124 88.4531 -144.248 126.193 -110.124 126.193 -110.455 GPRESSURE: 3579400 -142.807 26.9303 -24.0383 -6.96931 -90.8328 82.2721 -187.901 102.218 -138.243 PRESSAVG: 3579400 -72.3453 -5.45958 -23.4317 -5.45951 28.5672 -26.2493 -23.4317 -26.2493 -10.5769 GPRESSAVG: 3579400 -71.8159 -4.28303 -24.3776 -5.67523 27.8787 -23.9139 -23.3402 -23.9838 -11.0729 TIMING: 3579400 CPU: 11376.2, 0.00314359/step Wall: 11376.2, 0.00314359/step, 1.24049 hours remaining, 241.523438 MB of memory in use. ENERGY: 3579400 4061.4642 20591.0634 14435.3466 236.7165 -203773.2782 2549.6062 0.0000 0.0000 51890.2501 -110008.8312 298.2140 -161899.0813 -109655.3906 298.0162 -139.5802 -123.9608 760335.1292 -18.1183 -18.3367 PRESSURE: 3579600 218.32 101.465 153.67 101.466 -405.328 78.6737 153.669 78.6732 -463.271 GPRESSURE: 3579600 111.812 65.9766 107.133 116.071 -282.871 2.38577 180.11 -2.15156 -398.411 PRESSAVG: 3579600 -49.5971 40.2696 13.061 40.2696 22.3423 42.1285 13.061 42.1286 -5.43693 GPRESSAVG: 3579600 -50.7327 38.7898 13.4563 40.5401 23.1352 41.266 14.1894 42.749 -4.75861 TIMING: 3579600 CPU: 11376.9, 0.00315789/step Wall: 11376.9, 0.00315789/step, 1.24596 hours remaining, 241.523438 MB of memory in use. ENERGY: 3579600 3980.5495 20587.7192 14373.0935 235.2776 -203315.9961 2299.6985 0.0000 0.0000 51864.3362 -109975.3215 298.0651 -161839.6577 -109610.2161 298.1703 -216.7597 -189.8234 760609.6970 -10.8972 -10.7854 PRESSURE: 3579800 -158.751 -20.2428 59.1077 -20.243 -300.483 431.259 59.1067 431.259 31.0951 GPRESSURE: 3579800 -54.2382 -52.2066 102.475 -9.90354 -253.653 487.815 -75.4116 194.772 -23.0404 PRESSAVG: 3579800 -12.9583 -10.2117 -17.2811 -10.2118 -11.7135 -62.3721 -17.2811 -62.3721 22.9835 GPRESSAVG: 3579800 -12.0201 -10.2616 -17.2438 -10.0776 -11.7006 -61.5156 -18.7628 -65.1693 22.1077 TIMING: 3579800 CPU: 11377.5, 0.00316917/step Wall: 11377.5, 0.00316917/step, 1.25024 hours remaining, 241.523438 MB of memory in use. ENERGY: 3579800 4064.7335 20365.6858 14430.4248 247.8767 -203699.2704 2543.9072 0.0000 0.0000 52166.7521 -109879.8904 299.8030 -162046.6425 -109517.4681 298.5469 -142.7129 -110.3106 759695.8942 -0.5627 -0.5377 PRESSURE: 3580000 177.21 3.5387 -36.1332 3.5384 278.12 -92.9484 -36.1329 -92.9482 -211.122 GPRESSURE: 3580000 238.157 50.1208 94.3188 -6.98608 237.159 -20.5527 -128.554 -83.833 -133.397 PRESSAVG: 3580000 -19.9909 -4.08315 -36.6038 -4.0831 33.2752 -14.8559 -36.6038 -14.8559 2.53144 GPRESSAVG: 3580000 -21.3182 -3.25569 -34.6566 -3.95203 32.6397 -13.5058 -37.0302 -13.9921 4.09545 TIMING: 3580000 CPU: 11378.1, 0.00317169/step Wall: 11378.1, 0.00317169/step, 1.25106 hours remaining, 241.523438 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: 3580000 3957.0303 20580.3348 14483.5018 238.6650 -203760.3125 2781.1854 0.0000 0.0000 51685.8361 -110033.7592 297.0392 -161719.5952 -109685.2893 298.4538 81.4025 113.9731 759379.8349 5.2719 5.1390 PRESSURE: 3580200 77.7762 55.5752 -135.805 55.5757 -208.42 59.9959 -135.804 59.9965 -408.798 GPRESSURE: 3580200 68.1788 2.77075 -195.294 143.935 -161.819 31.6224 -38.4542 -18.9451 -384.818 PRESSAVG: 3580200 8.39982 -18.0763 -43.1661 -18.0763 -27.6971 10.0992 -43.1661 10.0991 -2.59427 GPRESSAVG: 3580200 10.4614 -19.0905 -44.9215 -19.3357 -27.5419 9.33265 -39.2739 10.831 -4.84902 TIMING: 3580200 CPU: 11378.8, 0.003133/step Wall: 11378.8, 0.003133/step, 1.23562 hours remaining, 241.523438 MB of memory in use. ENERGY: 3580200 3960.9546 20594.1583 14454.8784 278.2764 -203828.5506 2341.0659 0.0000 0.0000 52070.2973 -110128.9198 299.2487 -162199.2171 -109774.2800 298.2635 -179.8140 -159.4861 760119.8400 -7.2972 -7.3099 LDB: ============= START OF LOAD BALANCING ============== 11391.2 LDB: ============== END OF LOAD BALANCING =============== 11391.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391.2 LDB: ============= START OF LOAD BALANCING ============== 11391.5 LDB: Largest compute 7075 load 0.033997 is 17.4% of average load 0.195397 LDB: Average compute 0.004387 is 2.2% of average load 0.195397 LDB: TIME 11391.5 LOAD: AVG 0.195397 MAX 0.217788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.137 MB LDB: TIME 11391.5 LOAD: AVG 0.195397 MAX 0.217788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.211 MB LDB: TIME 11391.5 LOAD: AVG 0.195397 MAX 0.217788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.211 MB LDB: ============== END OF LOAD BALANCING =============== 11391.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391.5 PRESSURE: 3580400 -159.178 -6.48675 -96.659 -6.48687 -48.1673 -308.868 -96.6586 -308.868 133.044 GPRESSURE: 3580400 -175.841 -12.3682 -49.5331 66.7256 -26.0935 -360.079 -60.1234 -290.265 221.264 PRESSAVG: 3580400 8.48061 -16.8857 -36.4659 -16.8858 -2.87247 -65.0658 -36.466 -65.0658 -7.68081 GPRESSAVG: 3580400 7.73565 -17.4998 -36.1593 -16.0126 -2.16788 -65.9088 -38.3056 -64.5814 -7.78953 TIMING: 3580400 CPU: 11379.4, 0.00320228/step Wall: 11379.4, 0.00320228/step, 1.26277 hours remaining, 240.867188 MB of memory in use. ENERGY: 3580400 3902.1166 20683.7048 14452.5669 241.6096 -203586.4453 2425.3864 0.0000 0.0000 51800.5434 -110080.5175 297.6984 -161881.0610 -109719.8697 298.1356 -24.7672 6.4434 759854.9358 -0.6909 -0.7406 PRESSURE: 3580600 -299.587 -93.7786 99.7128 -93.7782 -143.967 -195.285 99.7128 -195.285 -25.8603 GPRESSURE: 3580600 -225.623 -1.82624 65.072 -148.794 -106.551 -167.49 -21.4032 -76.9116 -43.51 PRESSAVG: 3580600 6.08198 -22.0752 -1.2576 -22.0753 -19.5165 -76.3723 -1.2576 -76.3723 0.262712 GPRESSAVG: 3580600 6.28323 -21.8044 -1.5334 -23.2742 -21.0175 -76.7807 -1.13069 -77.4591 1.35468 TIMING: 3580600 CPU: 11380, 0.00312471/step Wall: 11380, 0.00312471/step, 1.232 hours remaining, 241.070312 MB of memory in use. ENERGY: 3580600 3931.9830 20493.0854 14482.6377 244.3695 -203494.6459 2470.9784 0.0000 0.0000 51855.5689 -110016.0230 298.0147 -161871.5919 -109654.1449 298.1936 -156.4713 -125.2281 759604.2998 -4.3906 -4.4599 PRESSURE: 3580800 -42.9138 38.8513 -194.531 38.8519 -279.987 130.809 -194.53 130.808 -323.658 GPRESSURE: 3580800 -14.2987 -58.9048 -220.761 -2.99102 -210.381 109.42 -107.324 112.853 -325.53 PRESSAVG: 3580800 12.542 33.4477 41.9186 33.4478 42.8307 13.9682 41.9186 13.9682 1.73229 GPRESSAVG: 3580800 12.6434 34.4172 41.2126 31.8636 43.0839 15.2932 42.6327 14.4436 1.73847 TIMING: 3580800 CPU: 11380.7, 0.00313676/step Wall: 11380.7, 0.00313676/step, 1.23658 hours remaining, 241.070312 MB of memory in use. ENERGY: 3580800 3995.1409 20630.5522 14428.1615 247.4487 -203396.1960 2390.5484 0.0000 0.0000 51662.4299 -110041.9144 296.9047 -161704.3443 -109683.6847 298.0009 -215.5195 -183.4032 761466.4619 19.0350 19.1553 PRESSURE: 3581000 -103.901 104.484 -172.649 104.482 -13.6007 270.694 -172.649 270.695 40.7142 GPRESSURE: 3581000 -20.6312 67.5783 -121.467 92.8833 -18.6227 186.87 -162.128 177.072 48.9545 PRESSAVG: 3581000 -22.4841 -11.5287 3.80486 -11.5287 -17.7552 16.9557 3.80478 16.9557 14.0424 GPRESSAVG: 3581000 -23.6217 -10.1665 3.03102 -11.2618 -17.758 13.8831 3.97621 18.1871 14.7686 TIMING: 3581000 CPU: 11381.3, 0.00314253/step Wall: 11381.3, 0.00314253/step, 1.23868 hours remaining, 241.070312 MB of memory in use. ENERGY: 3581000 3941.1523 20494.7695 14501.0816 232.4575 -203468.5362 2315.4319 0.0000 0.0000 51937.3567 -110046.2867 298.4847 -161983.6435 -109683.1079 298.7272 -25.5958 3.2335 759995.5720 -8.7323 -8.8704 PRESSURE: 3581200 101.822 -9.79166 -87.2574 -9.79205 85.8447 175.417 -87.2566 175.417 -273.293 GPRESSURE: 3581200 115.826 -80.5007 -189.606 -14.2683 57.4918 229.61 -60.4023 179.338 -193.322 PRESSAVG: 3581200 -2.8648 -48.543 -41.5377 -48.543 46.8863 42.2446 -41.5377 42.2446 -2.055 GPRESSAVG: 3581200 -2.454 -49.9444 -40.7251 -47.1767 46.7441 45.7852 -40.9642 41.667 -2.37161 TIMING: 3581200 CPU: 11381.9, 0.00314191/step Wall: 11381.9, 0.00314191/step, 1.23826 hours remaining, 241.070312 MB of memory in use. ENERGY: 3581200 3955.9600 20522.6976 14473.5805 257.7033 -203508.6666 2375.8746 0.0000 0.0000 51833.0170 -110089.8336 297.8851 -161922.8505 -109736.8616 298.5348 -28.5423 -6.6679 758940.3041 13.9888 13.9728 PRESSURE: 3581400 -82.8127 145.111 -66.9098 145.11 71.466 170.822 -66.9088 170.822 -130.977 GPRESSURE: 3581400 -127.658 201.369 -28.4212 120.642 164.468 165.836 -201.027 157.261 -92.9678 PRESSAVG: 3581400 -24.7896 -53.9541 -36.1517 -53.9542 2.80393 -16.0219 -36.1517 -16.0219 1.44069 GPRESSAVG: 3581400 -24.0162 -52.1119 -35.5831 -54.3339 2.94392 -17.6688 -38.0226 -15.2786 0.853007 TIMING: 3581400 CPU: 11382.6, 0.00316694/step Wall: 11382.6, 0.00316694/step, 1.24795 hours remaining, 241.070312 MB of memory in use. ENERGY: 3581400 3958.1208 20409.4693 14408.2539 234.4922 -203193.4626 2250.1435 0.0000 0.0000 51890.9713 -110042.0116 298.2181 -161932.9830 -109681.4009 298.5750 -47.4412 -18.7190 760921.7159 -6.8483 -6.7398 PRESSURE: 3581600 -145.316 -115.493 17.9019 -115.494 -82.0602 48.4522 17.9015 48.4531 270.927 GPRESSURE: 3581600 -98.5954 -120.55 -25.9005 -71.4171 -28.1601 -48.8469 123.253 22.3156 250.242 PRESSAVG: 3581600 -31.3291 -42.3918 -27.8781 -42.3918 20.4891 25.7184 -27.8781 25.7184 22.8485 GPRESSAVG: 3581600 -31.5973 -44.4352 -27.7203 -42.0915 20.871 26.038 -26.8345 25.8489 22.1701 TIMING: 3581600 CPU: 11383.2, 0.00316372/step Wall: 11383.2, 0.00316372/step, 1.2465 hours remaining, 241.070312 MB of memory in use. ENERGY: 3581600 3971.8182 20475.9020 14429.7968 245.7014 -203716.3184 2754.4793 0.0000 0.0000 51843.1528 -109995.4678 297.9433 -161838.6206 -109635.8969 298.2224 14.5171 41.1623 760092.1507 4.0028 3.8146 PRESSURE: 3581800 -161.454 12.6236 -318.735 12.6234 94.7278 85.1919 -318.734 85.1914 110.021 GPRESSURE: 3581800 -168.329 -2.59218 -232.259 -38.5004 125.476 83.6448 -193.61 17.1765 155.659 PRESSAVG: 3581800 -63.5057 -27.812 -56.1104 -27.8119 46.7236 -53.1109 -56.1103 -53.1109 -0.752391 GPRESSAVG: 3581800 -64.1349 -26.8749 -56.6696 -27.0516 46.1578 -52.5684 -53.3608 -53.0253 0.708592 TIMING: 3581800 CPU: 11383.8, 0.00315597/step Wall: 11383.8, 0.00315597/step, 1.24328 hours remaining, 241.070312 MB of memory in use. ENERGY: 3581800 4043.3093 20589.4625 14374.8806 240.7395 -203252.1517 2347.4531 0.0000 0.0000 51686.5209 -109969.7858 297.0431 -161656.3067 -109615.8041 298.0084 14.4314 37.6021 761802.6244 -5.8448 -5.7562 PRESSURE: 3582000 -94.4946 96.2901 33.4867 96.2907 -192.064 12.7916 33.4875 12.7917 -196.835 GPRESSURE: 3582000 -18.7479 -18.6858 106.732 66.2245 -189.459 99.0646 -39.1887 60.3116 -178.811 PRESSAVG: 3582000 74.0733 -57.9944 -9.57289 -57.9944 -13.1946 -16.8208 -9.57286 -16.8209 17.9355 GPRESSAVG: 3582000 74.3264 -56.5071 -8.9488 -58.5079 -12.3447 -16.3213 -11.2102 -16.8863 17.0377 TIMING: 3582000 CPU: 11384.4, 0.00314906/step Wall: 11384.4, 0.00314906/step, 1.24038 hours remaining, 241.070312 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: 3582000 4001.8109 20494.8246 14415.2961 258.3099 -203329.7359 2184.8852 0.0000 0.0000 51995.9591 -109978.6500 298.8215 -161974.6091 -109609.1456 298.1568 -161.1311 -129.0059 762874.5932 26.2714 26.3398 PRESSURE: 3582200 15.0362 230.075 187.255 230.076 51.6685 -57.3609 187.254 -57.3617 5.38329 GPRESSURE: 3582200 9.035 272.817 190.023 148.65 99.3351 -52.233 48.3781 -46.9198 17.0223 PRESSAVG: 3582200 36.4865 -26.7528 -6.34894 -26.7528 -18.0849 13.0195 -6.34897 13.0195 -6.7399 GPRESSAVG: 3582200 37.6538 -27.2345 -7.72997 -25.4383 -18.9542 12.5778 -7.01947 13.415 -6.75482 TIMING: 3582200 CPU: 11385.1, 0.00315042/step Wall: 11385.1, 0.00315042/step, 1.24074 hours remaining, 241.070312 MB of memory in use. ENERGY: 3582200 3956.0601 20706.7906 14481.6151 262.3786 -203618.8195 2588.3484 0.0000 0.0000 51882.3236 -109741.3030 298.1684 -161623.6267 -109384.3243 298.7784 24.0293 41.7975 759485.9121 3.8872 3.9816 PRESSURE: 3582400 62.6152 -70.0441 168.808 -70.044 148.356 163.06 168.808 163.059 84.1433 GPRESSURE: 3582400 66.0014 -98.7496 244.785 -143.789 275.55 129.627 129.215 221.169 47.9283 PRESSAVG: 3582400 -21.9384 -48.1346 -7.27053 -48.1345 28.6156 0.0382447 -7.27059 0.03828 -5.34301 GPRESSAVG: 3582400 -23.0059 -48.9954 -6.29001 -49.787 28.962 -0.183888 -6.60196 -0.544349 -4.97486 TIMING: 3582400 CPU: 11385.7, 0.00313433/step Wall: 11385.7, 0.00313432/step, 1.23423 hours remaining, 241.070312 MB of memory in use. ENERGY: 3582400 3986.8201 20549.2436 14430.6737 243.9521 -203500.3660 2626.9573 0.0000 0.0000 52002.5026 -109660.2165 298.8591 -161662.7192 -109301.5163 298.8914 98.3715 129.8264 759611.9877 0.4447 0.3271 PRESSURE: 3582600 -214.925 -105.291 136.597 -105.292 -99.7663 -44.2158 136.597 -44.2165 27.9473 GPRESSURE: 3582600 -78.9147 -83.7098 100.581 17.2853 -111.686 -130.748 168.564 -0.353379 -1.54353 PRESSAVG: 3582600 -13.7714 -27.2184 29.9303 -27.2185 92.3714 16.1554 29.9303 16.1554 6.53447 GPRESSAVG: 3582600 -13.8394 -27.6246 29.6882 -25.7905 93.1637 15.7849 29.3253 16.0099 6.28419 TIMING: 3582600 CPU: 11386.3, 0.00313851/step Wall: 11386.3, 0.00313851/step, 1.2357 hours remaining, 241.070312 MB of memory in use. ENERGY: 3582600 4012.4651 20652.2262 14424.5360 251.0112 -203165.4643 2424.4062 0.0000 0.0000 52061.1593 -109339.6603 299.1962 -161400.8196 -108980.9357 299.1220 -95.5815 -64.0481 759375.4680 28.3782 28.5362 PRESSURE: 3582800 54.7455 -174.584 -280.95 -174.583 -384.502 18.7812 -280.951 18.7815 -181.696 GPRESSURE: 3582800 -64.1202 -93.2156 -238.741 -134.689 -193.726 47.0724 -219.497 20.1009 -170.636 PRESSAVG: 3582800 -38.2715 -67.6225 -19.1199 -67.6225 47.8146 -32.4149 -19.1199 -32.4149 -14.7183 GPRESSAVG: 3582800 -39.7207 -67.0379 -19.0268 -69.3979 47.469 -31.7835 -17.7196 -34.5621 -13.1409 TIMING: 3582800 CPU: 11387, 0.00313438/step Wall: 11387, 0.00313438/step, 1.2339 hours remaining, 241.070312 MB of memory in use. ENERGY: 3582800 3989.2694 20608.7594 14450.7059 262.9188 -202853.8866 2196.9168 0.0000 0.0000 52169.5570 -109175.7592 299.8192 -161345.3162 -108816.6458 299.8124 -170.4841 -142.8273 759565.8280 -1.7251 -1.7975 PRESSURE: 3583000 19.6972 108.412 41.8807 108.411 168.797 -246.874 41.8807 -246.874 318.264 GPRESSURE: 3583000 99.1292 130.102 50.1798 110.82 195.305 -308.422 2.09816 -161.265 307.411 PRESSAVG: 3583000 -75.2279 -66.2131 39.7139 -66.2132 76.4864 -17.2059 39.714 -17.2059 1.9861 GPRESSAVG: 3583000 -73.9696 -65.9941 42.8835 -64.9906 75.7923 -17.8174 35.9096 -15.5793 1.9749 TIMING: 3583000 CPU: 11387.6, 0.00312478/step Wall: 11387.6, 0.00312478/step, 1.22995 hours remaining, 241.070312 MB of memory in use. ENERGY: 3583000 3989.5025 20417.9626 14562.4556 251.2488 -203379.5877 2579.8461 0.0000 0.0000 52055.4727 -109523.0995 299.1635 -161578.5722 -109155.8204 299.4226 168.9194 200.6150 758557.2513 1.0815 1.2659 PRESSURE: 3583200 163.098 251.838 60.8982 251.838 -155.304 -110.475 60.8976 -110.475 -762.905 GPRESSURE: 3583200 129.979 193.797 86.3804 199.476 -119.164 -90.3605 -104.973 -81.6548 -680.638 PRESSAVG: 3583200 28.8431 -9.74638 -28.7562 -9.74632 26.5871 -71.8206 -28.7563 -71.8206 -8.36217 GPRESSAVG: 3583200 29.533 -9.74191 -32.947 -9.93118 26.5736 -72.8976 -24.385 -70.5795 -8.93905 TIMING: 3583200 CPU: 11388.2, 0.00312139/step Wall: 11388.2, 0.00312139/step, 1.22844 hours remaining, 241.070312 MB of memory in use. ENERGY: 3583200 3964.8883 20573.4215 14455.8959 250.3960 -203386.3306 2568.5262 0.0000 0.0000 52008.9503 -109564.2525 298.8962 -161573.2028 -109206.9612 298.6481 -251.7036 -223.2742 761465.6185 15.6894 15.7225 PRESSURE: 3583400 -172.655 -218.873 -19.7086 -218.873 -286.759 -17.723 -19.7087 -17.7225 -180.8 GPRESSURE: 3583400 -165.229 -242.769 -0.17182 -160.701 -248.991 61.0072 22.7334 14.8271 -145.54 PRESSAVG: 3583400 -20.4856 -38.2196 -3.6869 -38.2195 -13.0615 37.733 -3.68686 37.733 -3.02153 GPRESSAVG: 3583400 -21.2726 -38.8178 -0.251708 -39.4436 -12.0912 37.3537 -5.10581 40.376 -3.00744 TIMING: 3583400 CPU: 11388.8, 0.00312817/step Wall: 11388.8, 0.00312817/step, 1.23094 hours remaining, 241.070312 MB of memory in use. ENERGY: 3583400 3989.1163 20646.6230 14477.3766 235.8933 -203156.4355 2209.6803 0.0000 0.0000 52072.9093 -109524.8366 299.2637 -161597.7459 -109154.3310 299.2412 -213.4044 -186.5869 761312.2717 -12.1896 -12.1237 PRESSURE: 3583600 -188.747 73.7989 -218.149 73.7983 -60.1937 14.5173 -218.148 14.5176 36.0339 GPRESSURE: 3583600 -183.615 77.5424 -244.893 -42.0419 32.2512 32.4588 -119.731 -12.3657 22.1239 PRESSAVG: 3583600 0.325988 -45.5012 -6.78139 -45.5012 11.4049 24.8036 -6.78146 24.8035 -1.43476 GPRESSAVG: 3583600 -0.574754 -44.5071 -7.64191 -44.8834 11.146 25.2081 -8.054 22.0299 -1.08539 TIMING: 3583600 CPU: 11389.5, 0.00312191/step Wall: 11389.5, 0.00312191/step, 1.2283 hours remaining, 241.070312 MB of memory in use. ENERGY: 3583600 4088.8789 20450.7141 14451.4311 255.4133 -203427.5494 2722.4331 0.0000 0.0000 51834.1587 -109624.5203 297.8916 -161458.6790 -109267.0015 299.2938 -70.9688 -43.0801 760526.8149 3.4320 3.1620 PRESSURE: 3583800 -53.5126 19.6389 24.2424 19.6393 -215.649 -205.415 24.2419 -205.416 435.467 GPRESSURE: 3583800 17.0049 -54.9328 20.1523 58.8348 -188.121 -129.498 -8.22175 -224.212 424.827 PRESSAVG: 3583800 -61.7412 -3.84782 -20.5305 -3.84781 50.4972 10.0821 -20.5305 10.082 -8.55599 GPRESSAVG: 3583800 -61.6445 -3.09926 -21.688 -3.26788 50.9038 11.8475 -20.3237 8.58775 -9.17323 TIMING: 3583800 CPU: 11390.1, 0.00316024/step Wall: 11390.1, 0.00316024/step, 1.2432 hours remaining, 241.070312 MB of memory in use. ENERGY: 3583800 3947.0874 20451.6591 14476.8098 241.4419 -203125.4883 2366.3114 0.0000 0.0000 52072.8403 -109569.3382 299.2633 -161642.1786 -109213.1037 298.8564 55.4350 84.5704 761346.4463 -6.6000 -6.6380 PRESSURE: 3584000 -288.96 43.1761 -101.434 43.1754 -48.2875 49.1264 -101.435 49.126 138.223 GPRESSURE: 3584000 -64.0471 81.5387 -42.0158 34.2007 -128.445 22.2271 -67.7873 25.9794 78.5009 PRESSAVG: 3584000 29.0287 18.5803 -9.17236 18.5803 -17.3281 -32.2988 -9.17238 -32.2988 13.2747 GPRESSAVG: 3584000 30.283 17.8855 -8.35105 17.694 -18.2745 -35.4701 -9.73838 -30.9435 12.4807 TIMING: 3584000 CPU: 11390.7, 0.00317195/step Wall: 11390.7, 0.00317195/step, 1.24764 hours remaining, 241.070312 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: 3584000 4029.1391 20419.5540 14428.5463 259.4424 -203068.8139 2464.2911 0.0000 0.0000 51934.6631 -109533.1779 298.4692 -161467.8410 -109170.7035 298.8993 -66.3416 -37.9970 762416.5757 8.3251 8.1631 PRESSURE: 3584200 -214.716 -12.4225 -156.917 -12.423 -226.082 -69.6634 -156.918 -69.6631 -106.372 GPRESSURE: 3584200 -173.153 29.2499 -77.4077 33.1662 -153.74 -59.7522 -286.916 -2.94157 -115.283 PRESSAVG: 3584200 -20.9311 -51.9899 -32.4985 -51.99 19.5446 9.70508 -32.4985 9.70505 7.86295 GPRESSAVG: 3584200 -20.79 -53.632 -32.1266 -49.1572 19.0714 11.6246 -31.9085 10.9019 8.44407 TIMING: 3584200 CPU: 11391.4, 0.00321025/step Wall: 11391.4, 0.00321025/step, 1.26252 hours remaining, 241.070312 MB of memory in use. ENERGY: 3584200 3932.3092 20369.5529 14416.5985 265.7337 -202942.9299 2269.1890 0.0000 0.0000 52138.6671 -109550.8795 299.6416 -161689.5465 -109186.6747 298.7839 -182.3902 -147.3919 762670.5077 2.1588 2.2418 LDB: ============= START OF LOAD BALANCING ============== 11403.8 LDB: ============== END OF LOAD BALANCING =============== 11403.8 LDB: =============== DONE WITH MIGRATION ================ 11403.8 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 11404.1 LDB: Largest compute 7032 load 0.034965 is 17.2% of average load 0.202856 LDB: Average compute 0.004424 is 2.2% of average load 0.202856 LDB: TIME 11404.2 LOAD: AVG 0.202856 MAX 0.243398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 11404.2 LOAD: AVG 0.202856 MAX 0.243398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: TIME 11404.2 LOAD: AVG 0.202856 MAX 0.227191 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: ============== END OF LOAD BALANCING =============== 11404.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11404.2 Info: useSync: 0 useProxySync: 0 PRESSURE: 3584400 -276.529 56.1334 44.0834 56.1331 21.5005 -38.7506 44.0829 -38.7508 -1.95216 GPRESSURE: 3584400 -163.838 81.5947 41.6508 145.407 0.819601 25.6073 59.816 2.9099 -15.758 PRESSAVG: 3584400 -1.94685 21.0927 -22.0412 21.0927 5.10275 26.6558 -22.0412 26.6558 -15.9324 GPRESSAVG: 3584400 -2.81293 21.0256 -23.3714 18.3529 5.51899 27.4559 -21.4523 24.0693 -15.8131 TIMING: 3584400 CPU: 11392, 0.00329082/step Wall: 11392, 0.00329082/step, 1.29402 hours remaining, 241.578125 MB of memory in use. ENERGY: 3584400 3968.0931 20506.9168 14452.8933 256.4226 -203254.6585 2555.5992 0.0000 0.0000 52083.4287 -109431.3048 299.3242 -161514.7335 -109067.5445 299.0891 -85.6603 -59.5921 760891.4817 -4.2588 -4.3690 PRESSURE: 3584600 431.084 154.213 113.832 154.213 463.091 221.777 113.832 221.776 242.773 GPRESSURE: 3584600 471.616 120.828 137.29 59.8428 506.164 142.963 171.122 113.267 228.87 PRESSAVG: 3584600 -13.7229 -7.74809 5.47023 -7.74803 35.1077 17.001 5.47026 17.001 5.44326 GPRESSAVG: 3584600 -13.2902 -5.39127 4.80467 -7.84394 34.9205 15.4059 5.57038 18.8018 5.0467 TIMING: 3584600 CPU: 11392.7, 0.00320924/step Wall: 11392.7, 0.00320924/step, 1.26177 hours remaining, 241.578125 MB of memory in use. ENERGY: 3584600 3945.8399 20425.1334 14456.7733 243.8814 -203260.6922 2514.8920 0.0000 0.0000 52001.4076 -109672.7645 298.8528 -161674.1721 -109313.3524 299.0147 378.9828 402.2168 760354.0533 8.9427 8.8923 PRESSURE: 3584800 -115.488 -170.355 100.104 -170.355 -292.517 -3.56804 100.105 -3.56738 125.996 GPRESSURE: 3584800 -38.9938 -208.083 -57.2332 -184.427 -268.37 -41.1187 132.316 -152.35 96.4713 PRESSAVG: 3584800 -33.0844 -51.8019 48.5955 -51.8019 52.0064 31.1351 48.5955 31.1352 -5.21179 GPRESSAVG: 3584800 -34.203 -53.7421 49.2522 -51.471 52.6049 33.8374 49.8117 28.9777 -5.37737 TIMING: 3584800 CPU: 11393.3, 0.00321034/step Wall: 11393.3, 0.00321034/step, 1.26202 hours remaining, 241.578125 MB of memory in use. ENERGY: 3584800 3946.7789 20582.8057 14455.2136 251.8371 -202923.7770 2300.0914 0.0000 0.0000 51911.2423 -109475.8081 298.3346 -161387.0504 -109113.0218 298.9835 -94.0030 -70.2976 761919.0667 4.5701 4.3415 PRESSURE: 3585000 0.16457 -244.429 -73.4259 -244.429 -639.665 218.547 -73.426 218.547 -211.464 GPRESSURE: 3585000 -66.2556 -232.964 -75.7038 -284.334 -489.974 118.152 -8.4334 87.666 -218.785 PRESSAVG: 3585000 25.2049 -49.7786 -5.15216 -49.7785 56.839 55.0125 -5.15217 55.0125 12.402 GPRESSAVG: 3585000 24.6111 -48.7941 -6.61628 -51.4722 57.7655 54.3384 -6.44206 56.0398 11.9095 TIMING: 3585000 CPU: 11393.9, 0.00320256/step Wall: 11393.9, 0.00320256/step, 1.25879 hours remaining, 241.578125 MB of memory in use. ENERGY: 3585000 3931.2971 20634.7056 14483.1515 259.4178 -203298.0178 2344.2704 0.0000 0.0000 52202.2194 -109442.9559 300.0069 -161645.1753 -109081.9293 299.4085 -283.6550 -258.3383 761451.7449 31.4820 31.4287 PRESSURE: 3585200 -79.4959 11.3191 292.542 11.3193 76.1693 -8.48662 292.542 -8.48901 -153.339 GPRESSURE: 3585200 126.311 37.5294 260.205 20.2142 11.2541 27.3382 246.339 24.646 -210.898 PRESSAVG: 3585200 -0.887715 -53.3654 7.35432 -53.3654 -22.3999 52.2534 7.35432 52.2534 -12.8132 GPRESSAVG: 3585200 1.94589 -52.2345 9.56039 -51.4295 -26.2858 51.6638 7.76903 54.8895 -11.9825 TIMING: 3585200 CPU: 11394.6, 0.00319986/step Wall: 11394.6, 0.00319986/step, 1.25754 hours remaining, 241.578125 MB of memory in use. ENERGY: 3585200 4050.0244 20647.2599 14435.4674 218.8896 -203436.8078 2426.0701 0.0000 0.0000 51877.3910 -109781.7053 298.1401 -161659.0963 -109422.8563 298.7494 -52.2217 -24.4442 760157.0759 -12.0336 -12.1075 PRESSURE: 3585400 289.148 -116.995 125.902 -116.996 -75.505 -107.947 125.902 -107.947 357.003 GPRESSURE: 3585400 262.627 -188.362 117.759 10.8482 41.1949 -98.7488 2.53911 -65.224 360.238 PRESSAVG: 3585400 -26.6801 -4.12751 18.8526 -4.12744 82.2018 -21.6142 18.8526 -21.6143 10.1054 GPRESSAVG: 3585400 -28.7211 -7.29618 17.9752 -3.84852 84.3502 -19.5075 18.3164 -26.0755 9.69715 TIMING: 3585400 CPU: 11395.2, 0.00320727/step Wall: 11395.2, 0.00320727/step, 1.26028 hours remaining, 241.578125 MB of memory in use. ENERGY: 3585400 3990.6971 20646.6572 14387.7222 239.7849 -203380.8995 2633.6529 0.0000 0.0000 51760.8981 -109721.4870 297.4706 -161482.3851 -109375.4021 298.2404 190.2154 221.3533 760314.2673 21.8757 21.7754 PRESSURE: 3585600 77.3173 -11.5497 91.954 -11.5497 -450.605 -36.3993 91.9544 -36.3992 -357.396 GPRESSURE: 3585600 117.207 23.3711 151.176 -51.7683 -438.054 -13.6823 133.485 10.1849 -325.49 PRESSAVG: 3585600 20.9513 -20.124 12.7159 -20.124 -48.7591 3.04985 12.7159 3.04986 -15.243 GPRESSAVG: 3585600 21.7458 -18.351 12.8389 -20.2159 -49.9528 0.964161 12.4772 5.51974 -14.806 TIMING: 3585600 CPU: 11395.9, 0.00320303/step Wall: 11395.9, 0.00320303/step, 1.25843 hours remaining, 241.578125 MB of memory in use. ENERGY: 3585600 3938.7009 20624.5646 14470.6317 221.9080 -202905.9241 1938.1588 0.0000 0.0000 51912.2211 -109799.7391 298.3402 -161711.9602 -109437.8377 298.7267 -243.5614 -215.4460 760227.5797 -14.3503 -14.3377 PRESSURE: 3585800 -306.529 -99.5581 22.7913 -99.5584 28.0662 11.8937 22.7908 11.8944 597.652 GPRESSURE: 3585800 -184.878 -29.4093 114.079 9.1159 80.2912 -0.366447 105.563 -56.7019 502.283 PRESSAVG: 3585800 38.6863 -1.93895 -43.5862 -1.9389 -62.3341 29.2044 -43.5862 29.2043 4.34124 GPRESSAVG: 3585800 38.6919 -1.97598 -43.3873 -2.91774 -61.8505 30.0664 -41.2819 28.9917 3.69994 TIMING: 3585800 CPU: 11396.5, 0.00319822/step Wall: 11396.5, 0.00319822/step, 1.25637 hours remaining, 241.578125 MB of memory in use. ENERGY: 3585800 3947.0791 20579.7622 14452.8115 226.3179 -203197.6839 2385.3684 0.0000 0.0000 51961.6964 -109644.6483 298.6246 -161606.3447 -109291.9405 298.5102 106.3967 132.5654 761393.8388 -6.4355 -6.4862 PRESSURE: 3586000 -87.0617 -70.1235 -153.649 -70.123 94.2658 72.2262 -153.651 72.2252 -17.302 GPRESSURE: 3586000 -27.9 -115.971 -101.214 25.5051 144.706 28.3128 -306.297 74.3171 -33.1415 PRESSAVG: 3586000 45.7396 24.1265 61.5238 24.1264 -33.4835 25.5426 61.5239 25.5426 54.2845 GPRESSAVG: 3586000 44.957 23.9422 61.4021 25.976 -33.3261 25.1675 58.6494 24.578 54.9617 TIMING: 3586000 CPU: 11397.1, 0.00317439/step Wall: 11397.1, 0.00317439/step, 1.24683 hours remaining, 241.578125 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: 3586000 4074.0895 20477.8172 14502.9543 254.0588 -203444.9206 2571.6018 0.0000 0.0000 51938.1218 -109626.2772 298.4891 -161564.3990 -109262.8555 298.8526 -3.3660 27.8880 760059.3976 22.1802 22.1975 PRESSURE: 3586200 -325.807 39.4081 -101.984 39.408 -393.378 56.8305 -101.983 56.831 -759.349 GPRESSURE: 3586200 -348.423 102.29 -176.38 -94.4831 -316.924 38.9248 -28.5278 21.135 -721.156 PRESSAVG: 3586200 -24.4839 -23.0088 -27.6633 -23.0089 30.6315 -8.76651 -27.6633 -8.76651 -6.61981 GPRESSAVG: 3586200 -23.7666 -23.6852 -27.6836 -22.6485 30.6786 -9.25012 -26.6894 -7.36485 -7.59356 TIMING: 3586200 CPU: 11397.8, 0.0031786/step Wall: 11397.8, 0.0031786/step, 1.24831 hours remaining, 241.578125 MB of memory in use. ENERGY: 3586200 4086.9146 20436.4135 14497.9659 238.0128 -203249.6024 2536.8952 0.0000 0.0000 51960.0813 -109493.3191 298.6153 -161453.4004 -109133.7840 299.0984 -492.8445 -462.1677 761294.1902 -0.1574 -0.2272 PRESSURE: 3586400 -122.247 -125.552 110.686 -125.552 -5.2664 -80.0865 110.686 -80.0862 67.9917 GPRESSURE: 3586400 -163.802 -99.1564 74.7299 -246.849 68.5429 -52.6492 69.7465 -26.8986 122.84 PRESSAVG: 3586400 -16.5212 -21.0375 1.20397 -21.0375 -9.72961 -2.76349 1.20401 -2.76348 -1.89532 GPRESSAVG: 3586400 -16.2678 -21.8136 1.70313 -22.4629 -10.3229 -3.59452 1.33118 -1.58895 -1.60419 TIMING: 3586400 CPU: 11398.4, 0.0031706/step Wall: 11398.4, 0.0031706/step, 1.24499 hours remaining, 241.578125 MB of memory in use. ENERGY: 3586400 4033.9952 20340.1842 14474.9005 250.0577 -203302.7497 2402.8782 0.0000 0.0000 52347.8099 -109452.9240 300.8436 -161800.7339 -109100.0385 299.1601 -19.8406 9.1936 760160.9512 -9.3820 -9.3983 PRESSURE: 3586600 -32.5739 -70.2289 125.701 -70.2291 -70.4526 -242.822 125.701 -242.821 262.534 GPRESSURE: 3586600 -7.07528 -23.2529 161.535 -21.3589 -56.0675 -240.126 -27.1401 -286.076 299.106 PRESSAVG: 3586600 -33.1848 -42.6558 54.4537 -42.6559 11.6411 -94.3058 54.4537 -94.3058 3.75618 GPRESSAVG: 3586600 -33.0158 -42.2896 55.337 -41.6361 11.3606 -92.3572 54.106 -93.5299 3.62193 TIMING: 3586600 CPU: 11399, 0.00315365/step Wall: 11399, 0.00315365/step, 1.23816 hours remaining, 241.578125 MB of memory in use. ENERGY: 3586600 3961.5077 20657.7368 14419.0518 267.8565 -203503.3526 2635.8275 0.0000 0.0000 51994.1225 -109567.2499 298.8109 -161561.3724 -109209.8623 299.6632 53.1690 78.6545 761513.1146 -5.9292 -6.0111 PRESSURE: 3586800 54.199 -226.235 -190.963 -226.236 -19.2726 -46.8129 -190.964 -46.8124 -245.37 GPRESSURE: 3586800 99.6917 -136.255 -193.743 -193.629 -8.73826 -26.5883 -183.705 -113.259 -202.84 PRESSAVG: 3586800 -1.66955 -39.0406 24.2817 -39.0406 18.5102 -9.9778 24.2817 -9.97776 8.08732 GPRESSAVG: 3586800 -1.88343 -40.0053 22.4661 -40.5737 19.4119 -12.3774 23.9074 -11.8311 7.86998 TIMING: 3586800 CPU: 11399.7, 0.00313437/step Wall: 11399.7, 0.00313437/step, 1.23041 hours remaining, 241.578125 MB of memory in use. ENERGY: 3586800 3963.7287 20571.2003 14462.8594 239.0450 -203345.5157 2481.1825 0.0000 0.0000 52071.4601 -109556.0397 299.2554 -161627.4998 -109191.5263 299.3435 -70.1478 -37.2956 759733.9153 8.3093 8.4661 PRESSURE: 3587000 -331.334 -74.6846 -248.446 -74.6847 -290.94 81.1624 -248.446 81.1626 -361.74 GPRESSURE: 3587000 -241.939 -0.276963 -206.719 -135.786 -322.908 134.633 -251.507 39.0003 -330.773 PRESSAVG: 3587000 42.1229 -21.028 10.1634 -21.0279 -43.5565 58.7106 10.1634 58.7107 -5.13304 GPRESSAVG: 3587000 41.1474 -19.2482 10.9048 -20.4244 -44.5644 59.2393 11.2592 56.971 -2.86438 TIMING: 3587000 CPU: 11400.3, 0.00315464/step Wall: 11400.3, 0.00315464/step, 1.2382 hours remaining, 241.578125 MB of memory in use. ENERGY: 3587000 3957.8859 20391.9167 14491.7667 247.4500 -203066.8506 2246.8603 0.0000 0.0000 52136.0656 -109594.9055 299.6267 -161730.9711 -109232.6580 299.6836 -328.0045 -298.5400 760675.7612 -2.1889 -2.0938 PRESSURE: 3587200 -1.08843 -153.472 46.5527 -153.471 -184.593 -189.346 46.5523 -189.347 155.149 GPRESSURE: 3587200 139.086 -316.403 59.8423 -99.2619 -195.372 -205.075 26.5606 -342.969 115.076 PRESSAVG: 3587200 17.2095 -18.6007 -18.1994 -18.6007 -37.8578 2.87554 -18.1994 2.87551 -1.83424 GPRESSAVG: 3587200 17.4647 -21.7748 -19.4418 -18.6347 -37.3345 3.0359 -19.2054 3.47891 -2.75761 TIMING: 3587200 CPU: 11400.9, 0.00314222/step Wall: 11400.9, 0.00314222/step, 1.23315 hours remaining, 241.578125 MB of memory in use. ENERGY: 3587200 3979.6535 20607.7250 14493.9723 241.9020 -203211.7146 2425.9010 0.0000 0.0000 51787.5937 -109674.9671 297.6240 -161462.5608 -109306.3140 299.1549 -10.1774 19.5967 761832.5802 -7.4942 -7.5424 PRESSURE: 3587400 -89.8556 9.53997 71.5508 9.54066 -182.107 107.492 71.5506 107.492 -77.7445 GPRESSURE: 3587400 69.0953 -17.2333 83.216 -42.0423 -218.242 155.229 68.3588 43.7246 -129.337 PRESSAVG: 3587400 -65.5209 -12.6586 7.55141 -12.6587 27.0375 -7.06824 7.55134 -7.06825 1.98912 GPRESSAVG: 3587400 -65.5242 -10.6569 10.8263 -12.0778 27.4368 -7.52892 6.61866 -4.89884 1.44265 TIMING: 3587400 CPU: 11401.6, 0.00313599/step Wall: 11401.6, 0.00313599/step, 1.23053 hours remaining, 241.578125 MB of memory in use. ENERGY: 3587400 3932.3147 20472.4672 14412.6682 216.2768 -203211.9217 2222.8441 0.0000 0.0000 52198.7178 -109756.6329 299.9867 -161955.3507 -109384.5245 298.8703 -116.5689 -92.8280 762106.4215 -12.1647 -12.2149 PRESSURE: 3587600 410.52 -28.2127 -64.3364 -28.2138 160.078 -27.0179 -64.3358 -27.0186 82.6423 GPRESSURE: 3587600 296.448 -127.972 2.65809 19.631 286.045 -34.2468 -153.002 42.3513 172.258 PRESSAVG: 3587600 18.0619 35.968 7.26532 35.9679 25.4072 39.8207 7.26537 39.8207 18.4127 GPRESSAVG: 3587600 16.9561 36.4627 6.34984 33.9134 25.4844 39.8703 7.64814 41.0736 19.6768 TIMING: 3587600 CPU: 11402.2, 0.00316055/step Wall: 11402.2, 0.00316055/step, 1.23999 hours remaining, 241.578125 MB of memory in use. ENERGY: 3587600 3902.7570 20444.6992 14448.0891 251.3357 -203717.4223 2750.8512 0.0000 0.0000 52264.3257 -109655.3644 300.3638 -161919.6901 -109291.1982 298.8326 217.7467 251.5837 760742.4620 20.6273 20.7058 PRESSURE: 3587800 -133.825 -203.212 342.423 -203.212 -129.957 140.303 342.422 140.304 -238.821 GPRESSURE: 3587800 -68.4065 -118.58 359.82 -129.85 -116.838 110.904 193.556 129.673 -236.139 PRESSAVG: 3587800 59.6486 -16.3905 -23.3855 -16.3904 23.2075 -6.62129 -23.3855 -6.62131 -6.29417 GPRESSAVG: 3587800 60.0139 -18.5495 -25.1462 -15.2184 23.2149 -5.47363 -20.9437 -8.81695 -6.534 TIMING: 3587800 CPU: 11402.8, 0.00315365/step Wall: 11402.8, 0.00315365/step, 1.23711 hours remaining, 241.578125 MB of memory in use. ENERGY: 3587800 4034.8142 20799.1352 14441.0764 259.8715 -203139.8381 2174.2961 0.0000 0.0000 51952.1517 -109478.4930 298.5697 -161430.6448 -109134.5523 299.5909 -167.5345 -140.4612 760149.0696 25.5207 25.5649 PRESSURE: 3588000 -40.3718 0.606795 -196.717 0.606285 117.068 112.441 -196.716 112.443 93.6624 GPRESSURE: 3588000 -40.9673 -61.7723 -261.397 52.648 160.312 93.259 -161.678 110.846 139.774 PRESSAVG: 3588000 9.07569 -5.17431 10.9752 -5.17438 28.6513 21.9182 10.9751 21.9181 -10.647 GPRESSAVG: 3588000 10.7721 -2.38087 12.4199 -5.08524 28.1048 23.5152 9.58153 21.3057 -11.5518 TIMING: 3588000 CPU: 11403.5, 0.00317547/step Wall: 11403.5, 0.00317547/step, 1.24549 hours remaining, 241.578125 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: 3588000 3911.0012 20500.3409 14488.5552 243.8911 -203231.4578 2466.8416 0.0000 0.0000 52027.5480 -109593.2798 299.0030 -161620.8278 -109230.4326 299.4419 56.7862 86.3730 759713.7323 9.0267 9.1084 PRESSURE: 3588200 143.492 -88.0393 139.291 -88.0382 36.3983 -270.42 139.291 -270.418 176.735 GPRESSURE: 3588200 245.504 -75.2733 125.003 -161.608 0.452759 -269.817 150.649 -381.976 202.859 PRESSAVG: 3588200 60.5525 -61.0011 42.0652 -61.0011 -33.2753 -14.6474 42.0652 -14.6474 -16.8979 GPRESSAVG: 3588200 59.8066 -62.7113 40.7075 -61.4183 -32.8895 -16.3149 40.3765 -14.0707 -16.2701 TIMING: 3588200 CPU: 11404.1, 0.00316045/step Wall: 11404.1, 0.00316045/step, 1.23942 hours remaining, 241.578125 MB of memory in use. ENERGY: 3588200 4014.9752 20583.0245 14388.0482 251.9570 -203408.3416 2520.2637 0.0000 0.0000 51983.0137 -109667.0593 298.7471 -161650.0730 -109307.5341 299.2031 118.8754 149.6053 761081.7710 3.4598 3.5490 LDB: ============= START OF LOAD BALANCING ============== 11416.5 LDB: ============== END OF LOAD BALANCING =============== 11416.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11416.5 LDB: ============= START OF LOAD BALANCING ============== 11416.9 LDB: Largest compute 7032 load 0.036787 is 18.8% of average load 0.195269 LDB: Average compute 0.004383 is 2.2% of average load 0.195269 LDB: TIME 11416.9 LOAD: AVG 0.195269 MAX 0.225253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.027 MB LDB: TIME 11416.9 LOAD: AVG 0.195269 MAX 0.225253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: TIME 11416.9 LOAD: AVG 0.195269 MAX 0.216844 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: ============== END OF LOAD BALANCING =============== 11416.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11416.9 PRESSURE: 3588400 174.571 -93.7187 -4.34851 -93.7194 64.251 -128.632 -4.34866 -128.632 -13.181 GPRESSURE: 3588400 168.117 -124.065 -80.3986 -57.3482 120.355 -112.329 20.8032 -35.449 18.1042 PRESSAVG: 3588400 29.3743 -23.1947 -21.7376 -23.1948 -50.9716 -7.18396 -21.7376 -7.18398 23.0977 GPRESSAVG: 3588400 30.3383 -24.546 -22.2081 -22.129 -51.8975 -5.7785 -22.0581 -8.58648 22.8397 TIMING: 3588400 CPU: 11404.7, 0.00322967/step Wall: 11404.7, 0.00322967/step, 1.26639 hours remaining, 241.375000 MB of memory in use. ENERGY: 3588400 3985.3550 20561.5608 14424.1373 224.3059 -203580.4185 2599.7610 0.0000 0.0000 52034.4003 -109750.8982 299.0424 -161785.2986 -109385.2308 299.0588 75.2138 102.1920 760092.6128 0.5001 0.4268 PRESSURE: 3588600 -100.976 -70.9354 -32.0843 -70.936 -359.084 23.0229 -32.0839 23.0225 -153.045 GPRESSURE: 3588600 -39.9968 -168.183 6.44286 -101.832 -290.209 9.29417 -40.6017 97.4855 -181.393 PRESSAVG: 3588600 26.5552 -90.3107 -23.7504 -90.3107 -22.2388 59.6108 -23.7505 59.6109 0.625249 GPRESSAVG: 3588600 25.471 -87.2656 -23.0285 -90.6801 -21.1671 58.0965 -21.684 61.237 0.304374 TIMING: 3588600 CPU: 11405.4, 0.00314211/step Wall: 11405.4, 0.00314211/step, 1.23188 hours remaining, 241.375000 MB of memory in use. ENERGY: 3588600 4004.4846 20482.8652 14412.6983 251.4079 -202963.2233 2240.9008 0.0000 0.0000 52100.7719 -109470.0946 299.4239 -161570.8666 -109092.6386 298.9300 -204.3684 -170.5328 761047.6537 1.6472 1.5361 PRESSURE: 3588800 287.724 -158.682 199.359 -158.682 26.511 154.236 199.359 154.236 182.801 GPRESSURE: 3588800 279.784 -64.3467 221.864 -226.797 67.9481 178.32 198.492 -4.81066 233.951 PRESSAVG: 3588800 5.6409 -29.6588 -40.1636 -29.6588 -26.8577 41.3744 -40.1636 41.3744 -9.95127 GPRESSAVG: 3588800 6.18985 -32.041 -39.1145 -30.2175 -27.1131 41.845 -39.9845 40.5194 -9.79939 TIMING: 3588800 CPU: 11406, 0.00314495/step Wall: 11406, 0.00314495/step, 1.23282 hours remaining, 241.375000 MB of memory in use. ENERGY: 3588800 3922.2254 20396.1647 14470.2516 245.4354 -202703.9170 2045.5622 0.0000 0.0000 52128.2028 -109496.0749 299.5815 -161624.2777 -109119.0647 299.5734 165.6785 193.8944 758648.2914 -10.3893 -10.2409 PRESSURE: 3589000 -62.2201 -101.99 -48.9219 -101.99 120.274 11.0392 -48.9212 11.0394 -209.055 GPRESSURE: 3589000 -23.8799 -80.1451 54.1164 -8.72985 172.337 34.2977 107.024 -18.6039 -208.053 PRESSAVG: 3589000 37.6741 -36.9007 -1.6653 -36.9007 -28.1773 24.5913 -1.6653 24.5914 18.3018 GPRESSAVG: 3589000 39.5795 -35.6129 -1.53163 -36.9299 -30.7722 24.4856 -2.94578 24.164 18.803 TIMING: 3589000 CPU: 11406.6, 0.00314744/step Wall: 11406.6, 0.00314744/step, 1.23362 hours remaining, 241.375000 MB of memory in use. ENERGY: 3589000 4028.5737 20377.6841 14456.7848 235.9429 -203331.9546 2425.0654 0.0000 0.0000 52273.8036 -109534.1001 300.4183 -161807.9036 -109173.3929 299.3328 -50.3337 -19.8655 759889.1000 9.2662 9.2034 PRESSURE: 3589200 142.492 -87.7141 30.0596 -87.7148 -265.844 -88.2915 30.0585 -88.2904 170.534 GPRESSURE: 3589200 79.9188 54.299 39.6796 -44.9442 -130.544 -46.416 36.5483 -11.972 178.288 PRESSAVG: 3589200 45.8292 -7.65336 -17.1538 -7.6533 -48.7115 -39.1483 -17.1539 -39.1483 4.90506 GPRESSAVG: 3589200 42.9762 -7.48874 -16.1834 -7.79364 -45.5629 -41.9833 -16.6223 -37.5278 4.73816 TIMING: 3589200 CPU: 11407.3, 0.00314725/step Wall: 11407.3, 0.00314725/step, 1.23337 hours remaining, 241.375000 MB of memory in use. ENERGY: 3589200 3949.3766 20430.4063 14452.7673 239.4598 -203242.6335 2539.0283 0.0000 0.0000 51980.3129 -109651.2823 298.7316 -161631.5952 -109287.3623 298.9848 15.7271 42.5542 759361.9548 0.6743 0.7171 PRESSURE: 3589400 310.803 55.474 -74.5256 55.4744 -10.6563 13.7411 -74.526 13.7421 315.234 GPRESSURE: 3589400 330.329 74.508 -71.1441 -29.6957 85.6538 -32.074 -43.0817 75.251 285.335 PRESSAVG: 3589400 -0.745758 -17.5489 -68.9126 -17.5489 -9.18367 -32.7865 -68.9126 -32.7865 -4.32399 GPRESSAVG: 3589400 -0.237301 -18.6815 -69.4624 -16.3498 -9.22263 -30.2834 -69.8159 -32.4745 -4.69763 TIMING: 3589400 CPU: 11407.9, 0.00315176/step Wall: 11407.9, 0.00315176/step, 1.23497 hours remaining, 241.375000 MB of memory in use. ENERGY: 3589400 3970.4287 20275.2433 14473.3534 241.6510 -203230.6627 2573.7345 0.0000 0.0000 52084.7583 -109611.4936 299.3318 -161696.2519 -109256.9025 298.8812 205.1270 233.7726 760027.3321 -4.7511 -4.7192 PRESSURE: 3589600 -347.813 -178.961 155.028 -178.961 -491.717 15.6345 155.029 15.6343 -107.449 GPRESSURE: 3589600 -310.121 -174.873 155.591 -109.328 -412.582 1.85077 160.233 -74.4535 -146.196 PRESSAVG: 3589600 48.8829 -38.9833 0.965367 -38.9834 -22.097 -35.793 0.965348 -35.793 -4.80063 GPRESSAVG: 3589600 48.6539 -39.2411 0.00600772 -38.8935 -21.8786 -35.8202 2.49947 -37.0796 -4.83103 TIMING: 3589600 CPU: 11408.5, 0.00314421/step Wall: 11408.5, 0.00314421/step, 1.23183 hours remaining, 241.375000 MB of memory in use. ENERGY: 3589600 3996.3703 20327.9369 14444.2479 232.2173 -203105.0466 2379.8404 0.0000 0.0000 52145.7853 -109578.6486 299.6825 -161724.4339 -109213.6555 299.0562 -315.6597 -289.6329 761087.1896 7.3284 7.3147 PRESSURE: 3589800 -220.626 -3.27061 191.359 -3.26987 201.741 -118.792 191.359 -118.793 140.888 GPRESSURE: 3589800 -64.4721 -12.9551 264.698 25.8605 186.472 -83.2334 176.761 -138.032 76.373 PRESSAVG: 3589800 -2.00107 -35.9758 -16.8094 -35.9757 -22.3862 -3.22782 -16.8094 -3.22779 6.45554 GPRESSAVG: 3589800 -1.28029 -32.6081 -17.3262 -38.7848 -23.7913 -3.83328 -15.1674 -3.19503 7.21136 TIMING: 3589800 CPU: 11409.1, 0.00314432/step Wall: 11409.1, 0.00314432/step, 1.2317 hours remaining, 241.375000 MB of memory in use. ENERGY: 3589800 3969.6963 20550.2770 14397.3609 263.3138 -203056.9809 2476.2262 0.0000 0.0000 52033.9277 -109366.1790 299.0397 -161400.1067 -109019.2024 299.4169 40.6674 66.1242 760022.0080 -5.9773 -5.9534 PRESSURE: 3590000 521.341 102.625 309.538 102.624 339.904 -26.3266 309.539 -26.3263 243.031 GPRESSURE: 3590000 474.875 127.413 295.081 -13.5631 402.499 -39.3291 201.785 -161.987 296.475 PRESSAVG: 3590000 40.0878 7.88921 19.5482 7.88915 -4.67919 -26.1686 19.5482 -26.1687 2.00936 GPRESSAVG: 3590000 38.6653 6.24963 21.5513 9.56357 -3.90119 -25.9099 16.5004 -26.1432 2.38971 TIMING: 3590000 CPU: 11409.8, 0.00316271/step Wall: 11409.8, 0.00316271/step, 1.23873 hours remaining, 241.375000 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: 3590000 4010.9540 20492.0700 14467.1571 252.7642 -203510.6787 2779.7651 0.0000 0.0000 51942.3441 -109565.6242 298.5134 -161507.9683 -109213.3979 299.7242 368.0919 391.2830 759026.0588 12.4727 12.3846 PRESSURE: 3590200 16.8624 5.22105 -97.581 5.22021 208.211 10.003 -97.5806 10.0023 12.4714 GPRESSURE: 3590200 83.6028 27.1146 -109.436 32.63 203.989 -58.5811 -149.268 -4.02265 44.0898 PRESSAVG: 3590200 27.0544 -6.42457 4.76188 -6.42463 -42.7421 -30.0016 4.76189 -30.0016 -5.71861 GPRESSAVG: 3590200 27.9595 -7.0704 1.96229 -6.52794 -43.4976 -31.3516 6.8998 -29.9271 -5.70979 TIMING: 3590200 CPU: 11410.4, 0.00317448/step Wall: 11410.4, 0.00317448/step, 1.24316 hours remaining, 241.375000 MB of memory in use. ENERGY: 3590200 3872.7286 20353.7922 14448.1200 243.5668 -203413.4795 2588.2665 0.0000 0.0000 52260.6037 -109646.4016 300.3424 -161907.0053 -109283.2308 299.5420 79.1815 110.5607 759587.1682 -7.1354 -7.0826 PRESSURE: 3590400 187.081 -86.9554 44.6045 -86.9554 -252.45 -34.9389 44.6043 -34.9387 -465.99 GPRESSURE: 3590400 156.969 -124.168 26.9228 -26.0969 -106.957 1.846 111.467 -90.9614 -475.235 PRESSAVG: 3590400 4.92962 -42.4478 -24.1216 -42.4477 9.93444 -43.9548 -24.1216 -43.9548 -19.3138 GPRESSAVG: 3590400 4.72425 -41.2895 -22.0917 -42.3424 10.5784 -43.1825 -27.2038 -42.6855 -19.8597 TIMING: 3590400 CPU: 11411, 0.0031823/step Wall: 11411, 0.0031823/step, 1.24605 hours remaining, 241.375000 MB of memory in use. ENERGY: 3590400 3970.5330 20522.1368 14431.1019 257.6890 -202908.7668 2019.7372 0.0000 0.0000 52087.9884 -109619.5805 299.3504 -161707.5689 -109270.1126 299.5624 -177.1198 -141.7411 758363.5674 -1.4832 -1.5190 PRESSURE: 3590600 -163.609 -125.305 -25.1384 -125.304 -455.755 -108.26 -25.1385 -108.259 -72.5141 GPRESSURE: 3590600 -174.596 -89.0522 -7.54913 -100.241 -388.621 -73.3233 -75.8176 -212.593 -12.6478 PRESSAVG: 3590600 6.58441 0.186188 -25.5235 0.186207 -23.6939 -13.3337 -25.5235 -13.3336 -20.6494 GPRESSAVG: 3590600 8.1321 -0.456647 -25.5993 -0.0815572 -23.6543 -12.2849 -24.2436 -13.3738 -22.1279 TIMING: 3590600 CPU: 11411.7, 0.00318389/step Wall: 11411.7, 0.00318389/step, 1.24649 hours remaining, 241.375000 MB of memory in use. ENERGY: 3590600 3985.7859 20565.0882 14440.0561 243.6869 -203303.3973 2444.2670 0.0000 0.0000 52061.8000 -109562.7132 299.1999 -161624.5132 -109190.5319 299.6064 -230.6258 -191.9549 759308.6907 -12.5863 -12.5500 PRESSURE: 3590800 104.772 -82.0233 -92.9281 -82.0231 -366.98 65.376 -92.928 65.3763 -227.717 GPRESSURE: 3590800 70.6627 -17.9004 -43.5003 -215.426 -320.08 95.3402 -82.4717 79.9901 -155.809 PRESSAVG: 3590800 0.513748 -4.82963 -12.2418 -4.82961 -3.98259 10.0717 -12.2417 10.0717 -12.1249 GPRESSAVG: 3590800 -1.22748 -4.89106 -13.3741 -4.32505 -4.82023 9.43131 -11.6813 9.56581 -9.50954 TIMING: 3590800 CPU: 11412.3, 0.00315932/step Wall: 11412.3, 0.00315932/step, 1.2367 hours remaining, 241.375000 MB of memory in use. ENERGY: 3590800 4028.8294 20591.2563 14494.2654 243.2177 -203252.2368 2472.9333 0.0000 0.0000 52004.5502 -109417.1844 298.8709 -161421.7347 -109062.8296 299.5124 -163.3081 -135.0755 761545.9250 -5.1979 -5.1858 PRESSURE: 3591000 60.0595 109.766 56.7181 109.766 135.408 -41.7216 56.7186 -41.7225 -134.003 GPRESSURE: 3591000 41.6414 41.3885 88.784 76.8296 202.024 1.29798 9.77267 53.8254 -125.546 PRESSAVG: 3591000 -26.0489 -27.3262 -4.08653 -27.3261 58.0135 -6.28364 -4.08649 -6.28363 9.83323 GPRESSAVG: 3591000 -26.2026 -28.1593 -3.39145 -26.4141 59.2583 -5.93487 -2.4156 -6.92159 8.43096 TIMING: 3591000 CPU: 11412.9, 0.00317355/step Wall: 11412.9, 0.00317354/step, 1.24209 hours remaining, 241.375000 MB of memory in use. ENERGY: 3591000 3975.6730 20603.4446 14467.0943 248.0229 -203419.1707 2508.6887 0.0000 0.0000 52204.9039 -109411.3434 300.0223 -161616.2473 -109046.9007 299.7904 20.4881 39.3730 759753.2797 13.9326 13.8289 PRESSURE: 3591200 209.265 236.405 -40.246 236.405 1.78928 -72.731 -40.2458 -72.731 203.542 GPRESSURE: 3591200 281.875 276.827 20.9238 244.968 19.7923 -143.196 -9.95608 -135.503 185.637 PRESSAVG: 3591200 10.7133 85.1371 -35.9137 85.1372 3.4789 -0.701135 -35.9137 -0.701165 -9.80817 GPRESSAVG: 3591200 12.3202 85.1937 -36.5425 84.1347 2.24733 -0.0838324 -38.705 0.0245355 -10.0624 TIMING: 3591200 CPU: 11413.6, 0.00316928/step Wall: 11413.6, 0.00316928/step, 1.24025 hours remaining, 241.375000 MB of memory in use. ENERGY: 3591200 3947.3426 20690.9533 14516.9982 243.0887 -203351.4928 2583.6241 0.0000 0.0000 51754.8714 -109614.6145 297.4360 -161369.4859 -109242.8219 299.2703 138.1989 162.4347 759888.1581 1.4614 1.5017 PRESSURE: 3591400 -18.1969 93.1687 85.6795 93.1694 -23.1397 -169.036 85.6805 -169.036 -448.733 GPRESSURE: 3591400 10.3019 131.041 88.3216 89.9013 -41.877 -243.145 27.1715 -117.979 -365.782 PRESSAVG: 3591400 30.3738 -21.567 -26.6065 -21.567 -2.45331 -44.748 -26.6065 -44.748 1.76619 GPRESSAVG: 3591400 28.4029 -21.4331 -24.7684 -21.3646 -0.719122 -46.141 -26.3449 -44.1259 1.94166 TIMING: 3591400 CPU: 11414.2, 0.00314015/step Wall: 11414.2, 0.00314015/step, 1.22867 hours remaining, 241.375000 MB of memory in use. ENERGY: 3591400 3984.5598 20751.4854 14419.2944 258.5200 -203364.7659 2276.8964 0.0000 0.0000 52038.4928 -109635.5171 299.0659 -161674.0098 -109286.3767 299.5315 -163.3565 -132.4525 758996.1284 9.8955 9.8751 PRESSURE: 3591600 21.0243 93.2686 -308.674 93.2679 80.1707 1.64392 -308.673 1.64395 -249.707 GPRESSURE: 3591600 31.4898 93.7362 -209.678 62.156 80.8199 -40.2083 -233.56 47.9625 -179.348 PRESSAVG: 3591600 -40.4682 -20.6275 -19.2495 -20.6274 17.3433 -6.31905 -19.2496 -6.31904 -0.496969 GPRESSAVG: 3591600 -39.5945 -20.3433 -20.9816 -19.1521 15.6753 -5.91333 -17.4276 -8.36092 0.829482 TIMING: 3591600 CPU: 11414.8, 0.00315168/step Wall: 11414.8, 0.00315168/step, 1.23301 hours remaining, 241.375000 MB of memory in use. ENERGY: 3591600 3941.3030 20545.9485 14485.6518 250.0215 -203676.2689 2466.5170 0.0000 0.0000 52211.5881 -109775.2389 300.0607 -161986.8270 -109408.2385 299.2855 -49.5042 -22.3460 759440.7226 -7.8740 -7.6966 PRESSURE: 3591800 42.9892 287.511 -62.571 287.51 137.49 -75.4758 -62.5697 -75.4756 -82.2414 GPRESSURE: 3591800 37.1185 198.16 -67.7686 189.265 165.957 -97.1094 -86.5588 -0.885782 -15.6539 PRESSAVG: 3591800 23.3451 -39.2525 9.12747 -39.2525 66.1237 -26.1605 9.1275 -26.1604 7.79321 GPRESSAVG: 3591800 22.5507 -38.6112 10.5693 -39.4222 66.2203 -25.3368 8.02367 -26.3899 8.07936 TIMING: 3591800 CPU: 11415.5, 0.00315624/step Wall: 11415.5, 0.00315624/step, 1.23462 hours remaining, 241.375000 MB of memory in use. ENERGY: 3591800 4051.9493 20654.3517 14458.9221 267.6243 -203775.8257 2947.9579 0.0000 0.0000 51824.6436 -109570.3768 297.8369 -161395.0204 -109222.4148 299.5012 32.7460 62.4738 761480.2650 32.4207 32.2834 PRESSURE: 3592000 -308.091 -92.7503 203.321 -92.7508 -207.597 65.4074 203.321 65.4066 -317.932 GPRESSURE: 3592000 -250.278 -188.649 173.641 -57.1793 -138.048 44.9796 54.2391 111.739 -347.593 PRESSAVG: 3592000 -10.8047 -22.598 65.3829 -22.598 -11.8593 1.41056 65.383 1.41056 39.1326 GPRESSAVG: 3592000 -9.54379 -23.4728 65.3855 -22.6402 -12.039 1.2367 63.7618 0.219107 38.2268 TIMING: 3592000 CPU: 11416.1, 0.00312403/step Wall: 11416.1, 0.00312403/step, 1.22184 hours remaining, 241.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3592000 3985.5716 20534.6625 14469.3016 249.6365 -203254.7882 2351.2290 0.0000 0.0000 51847.4898 -109816.8972 297.9682 -161664.3870 -109458.9112 299.0123 -277.8736 -245.3063 762913.0714 5.4895 5.5480 PRESSURE: 3592200 -304.045 268.811 257.768 268.812 -138.831 105.292 257.768 105.292 -297.086 GPRESSURE: 3592200 -270.663 184.404 83.6222 161.003 -145.166 90.6953 298.407 67.1343 -244.223 PRESSAVG: 3592200 -26.5548 42.0035 0.341646 42.0034 4.26314 -7.0381 0.341617 -7.03804 19.4366 GPRESSAVG: 3592200 -26.979 41.0467 -0.31383 40.7736 5.69258 -7.07924 0.546333 -6.62324 18.649 TIMING: 3592200 CPU: 11416.7, 0.00315293/step Wall: 11416.7, 0.00315293/step, 1.23297 hours remaining, 241.375000 MB of memory in use. ENERGY: 3592200 4080.3417 20478.7252 14438.1310 271.4409 -203623.2680 2747.3448 0.0000 0.0000 51755.9002 -109851.3842 297.4419 -161607.2844 -109494.1611 298.4124 -246.6538 -220.0173 761348.2849 -0.9517 -0.8792 LDB: ============= START OF LOAD BALANCING ============== 11429.2 LDB: ============== END OF LOAD BALANCING =============== 11429.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11429.2 LDB: ============= START OF LOAD BALANCING ============== 11429.5 LDB: Largest compute 7075 load 0.038697 is 19.8% of average load 0.195290 LDB: Average compute 0.004395 is 2.3% of average load 0.195290 LDB: TIME 11429.5 LOAD: AVG 0.19529 MAX 0.220089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.488 MB LDB: TIME 11429.5 LOAD: AVG 0.19529 MAX 0.220089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.691 MB LDB: TIME 11429.5 LOAD: AVG 0.19529 MAX 0.216696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.691 MB LDB: ============== END OF LOAD BALANCING =============== 11429.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11429.5 PRESSURE: 3592400 -1.00985 -52.5729 -226.038 -52.5728 -17.4968 -87.8116 -226.038 -87.8118 -36.6375 GPRESSURE: 3592400 62.1579 55.1572 -228.14 -12.9003 -14.2391 6.86835 -129.155 -72.9218 0.614743 PRESSAVG: 3592400 -18.4674 -6.54514 -67.1241 -6.54514 -6.17742 6.03997 -67.124 6.04002 24.6971 GPRESSAVG: 3592400 -17.3089 -5.10046 -67.7435 -5.07647 -8.1575 5.57684 -66.1992 8.41876 25.5909 TIMING: 3592400 CPU: 11417.4, 0.00322545/step Wall: 11417.4, 0.00322545/step, 1.26115 hours remaining, 241.886719 MB of memory in use. ENERGY: 3592400 3968.9592 20536.0708 14459.8960 229.2603 -203571.2644 2547.6044 0.0000 0.0000 51818.2568 -110011.2170 297.8002 -161829.4738 -109649.1107 298.5342 -18.3814 16.1778 759804.9834 0.0174 0.0415 PRESSURE: 3592600 -304.613 -232.131 -325.823 -232.132 -60.8918 -164.644 -325.822 -164.643 162.293 GPRESSURE: 3592600 -241.552 -352.56 -393.685 -125.148 -30.6175 -106.533 -261.299 -268.542 142.75 PRESSAVG: 3592600 16.4458 -10.7506 -34.4203 -10.7506 19.5449 -45.3238 -34.4202 -45.3238 25.6362 GPRESSAVG: 3592600 16.7172 -11.2824 -36.7188 -10.5791 20.2953 -45.1484 -32.3731 -47.2446 24.9361 TIMING: 3592600 CPU: 11418, 0.00316466/step Wall: 11418, 0.00316466/step, 1.2372 hours remaining, 242.089844 MB of memory in use. ENERGY: 3592600 4050.0984 20638.5229 14468.8971 260.3581 -203491.7527 2430.2041 0.0000 0.0000 51843.0173 -109800.6548 297.9425 -161643.6721 -109443.7882 298.4859 -67.7371 -43.1399 759002.3911 20.5423 20.6495 PRESSURE: 3592800 -376.575 -189.013 -127.183 -189.012 -289.453 33.8715 -127.183 33.871 -258.6 GPRESSURE: 3592800 -338.468 -211.579 46.5399 -208.173 -259.933 108.794 -106.289 -13.0153 -230.602 PRESSAVG: 3592800 -20.0313 -1.69808 -67.148 -1.69811 27.0278 -88.4131 -67.148 -88.4131 -0.422678 GPRESSAVG: 3592800 -20.8515 -3.60981 -62.9456 -3.03293 26.5745 -88.2743 -67.39 -89.2515 0.628002 TIMING: 3592800 CPU: 11418.6, 0.00316941/step Wall: 11418.6, 0.00316941/step, 1.23889 hours remaining, 242.089844 MB of memory in use. ENERGY: 3592800 4007.7110 20562.9031 14492.4325 243.1556 -203224.5936 2188.1457 0.0000 0.0000 52007.2833 -109722.9623 298.8866 -161730.2456 -109369.3314 299.2273 -308.2094 -276.3343 761491.0308 2.1912 2.1170 PRESSURE: 3593000 -157.901 -31.225 -108.597 -31.2261 28.6508 -26.6698 -108.597 -26.6691 -221.049 GPRESSURE: 3593000 -103.646 38.0734 -140.256 106.233 26.4231 -65.0728 7.16858 42.4059 -188.562 PRESSAVG: 3593000 15.5013 -21.4596 -19.7697 -21.4596 41.4013 -59.4028 -19.7698 -59.4027 39.0304 GPRESSAVG: 3593000 15.0242 -19.85 -21.2355 -20.2272 42.4452 -61.4179 -20.8131 -58.3377 38.1442 TIMING: 3593000 CPU: 11419.3, 0.00316899/step Wall: 11419.3, 0.00316899/step, 1.23855 hours remaining, 242.089844 MB of memory in use. ENERGY: 3593000 3960.5781 20622.1063 14461.6930 220.5061 -203229.6501 2334.9685 0.0000 0.0000 51942.5196 -109687.2784 298.5144 -161629.7980 -109319.2052 298.7233 -116.7662 -88.5951 760474.9873 31.9776 31.8712 PRESSURE: 3593200 -111.799 17.0487 131.984 17.0482 -69.6563 -247.046 131.984 -247.046 -198.954 GPRESSURE: 3593200 -49.7153 66.9964 56.9319 34.7752 -118.009 -190.834 163.406 -140.422 -132.134 PRESSAVG: 3593200 34.129 -37.2508 -17.0547 -37.2508 -26.8734 32.2762 -17.0547 32.2762 16.2091 GPRESSAVG: 3593200 34.0516 -34.3076 -17.6591 -38.9201 -26.6767 33.5405 -18.6344 32.801 16.2679 TIMING: 3593200 CPU: 11419.9, 0.00314039/step Wall: 11419.9, 0.00314039/step, 1.2272 hours remaining, 242.089844 MB of memory in use. ENERGY: 3593200 3985.9135 20598.8080 14439.1832 236.0035 -203263.1693 2242.3985 0.0000 0.0000 52109.6468 -109651.2157 299.4749 -161760.8625 -109288.1691 299.0049 -126.8029 -99.9529 760854.0942 7.8216 7.8809 PRESSURE: 3593400 14.0266 174.308 -168.964 174.309 -215.094 290.304 -168.964 290.304 85.9765 GPRESSURE: 3593400 40.1677 83.4563 -35.049 137.909 -168.642 275.95 -192.968 362.759 106.544 PRESSAVG: 3593400 83.821 -27.5727 -5.19271 -27.5727 -74.5504 30.6995 -5.19266 30.6994 -5.55341 GPRESSAVG: 3593400 84.5364 -30.1854 -3.87035 -26.6818 -74.5063 31.2666 -4.21898 30.5322 -6.07572 TIMING: 3593400 CPU: 11420.5, 0.00315399/step Wall: 11420.5, 0.00315399/step, 1.23233 hours remaining, 242.089844 MB of memory in use. ENERGY: 3593400 4014.7790 20485.6647 14505.3549 244.0286 -203585.3533 2554.7290 0.0000 0.0000 52019.4775 -109761.3196 298.9567 -161780.7972 -109402.4534 298.8099 -38.3637 -7.3100 761365.3070 1.2391 1.3181 PRESSURE: 3593600 -3.48519 -20.1727 107.609 -20.1729 -205.16 -168.271 107.61 -168.271 -398.65 GPRESSURE: 3593600 15.6473 -136.808 3.58202 58.6837 -165.99 -225.591 -34.4098 18.59 -357.176 PRESSAVG: 3593600 31.7483 27.6331 -1.18823 27.6331 -36.166 23.6803 -1.18817 23.6803 -11.8403 GPRESSAVG: 3593600 29.7233 27.6902 -2.29256 28.6837 -35.4249 21.9495 -1.53801 23.5981 -10.7589 TIMING: 3593600 CPU: 11421.2, 0.00316925/step Wall: 11421.2, 0.00316925/step, 1.23812 hours remaining, 242.089844 MB of memory in use. ENERGY: 3593600 4005.9487 20591.9367 14469.5870 244.5120 -203483.5278 2401.9593 0.0000 0.0000 52234.6989 -109534.8851 300.1935 -161769.5840 -109157.7153 299.5715 -202.4317 -169.1728 761830.2881 -5.4193 -5.4868 PRESSURE: 3593800 -64.6379 -134.113 24.4773 -134.113 -139.995 0.900239 24.4765 0.900547 128.035 GPRESSURE: 3593800 -15.699 -65.1271 25.9105 -73.2494 -76.5137 65.373 -49.8112 25.3291 129.344 PRESSAVG: 3593800 65.1177 9.95552 -26.562 9.95551 -80.9886 3.36708 -26.562 3.36698 8.83804 GPRESSAVG: 3593800 66.2886 10.9188 -26.6705 8.30278 -81.5284 6.85055 -26.0104 2.45507 8.65172 TIMING: 3593800 CPU: 11421.8, 0.00313904/step Wall: 11421.8, 0.00313904/step, 1.22614 hours remaining, 242.089844 MB of memory in use. ENERGY: 3593800 3959.9454 20507.9145 14489.0121 252.8507 -203494.6544 2642.4453 0.0000 0.0000 52068.0860 -109574.4004 299.2360 -161642.4864 -109215.6985 299.7064 -25.5323 12.3773 761763.0559 -2.3443 -2.1960 PRESSURE: 3594000 -148.028 109.201 -67.8762 109.201 280.989 194.397 -67.8758 194.396 -62.2336 GPRESSURE: 3594000 -126.759 6.38151 -78.9898 10.1789 281.388 255.651 -7.06271 142.813 8.39885 PRESSAVG: 3594000 40.0848 -36.6796 -7.6081 -36.6796 -35.4022 -23.1455 -7.60807 -23.1454 0.669763 GPRESSAVG: 3594000 40.5775 -38.6142 -8.12481 -37.7477 -35.919 -24.0274 -7.98112 -23.9677 0.579166 TIMING: 3594000 CPU: 11422.4, 0.00313952/step Wall: 11422.4, 0.00313952/step, 1.22616 hours remaining, 242.089844 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: 3594000 4018.8078 20595.4503 14424.8888 237.2713 -203878.5535 2949.3555 0.0000 0.0000 51979.1471 -109673.6329 298.7249 -161652.7800 -109323.0221 299.0770 23.5759 54.3426 759654.8928 1.7841 1.7459 PRESSURE: 3594200 129.505 53.6935 -120.473 53.6933 91.8913 32.8624 -120.473 32.8626 78.7969 GPRESSURE: 3594200 153.36 61.1138 -87.761 15.6582 133.702 85.0481 -146.698 -67.3993 77.9383 PRESSAVG: 3594200 62.668 -11.2897 -8.76799 -11.2897 2.64558 -10.3041 -8.76795 -10.3042 -13.8441 GPRESSAVG: 3594200 62.063 -9.64615 -8.54645 -11.4202 2.29006 -11.4021 -7.58398 -9.99986 -13.3849 TIMING: 3594200 CPU: 11423.1, 0.00317386/step Wall: 11423.1, 0.00317386/step, 1.23939 hours remaining, 242.089844 MB of memory in use. ENERGY: 3594200 3961.7789 20602.9111 14383.8060 239.8673 -203563.9715 2460.7187 0.0000 0.0000 52062.4550 -109852.4344 299.2036 -161914.8894 -109483.2102 299.1877 100.0642 121.6670 759092.1263 17.1565 16.9894 PRESSURE: 3594400 -14.7005 -18.9456 -176.856 -18.9446 -255.406 45.1481 -176.856 45.1469 -244.699 GPRESSURE: 3594400 27.9898 -31.7536 -126.168 158.929 -208.708 80.7737 -33.1713 -183.42 -263.06 PRESSAVG: 3594400 36.7039 -7.3995 3.28023 -7.39946 -60.7204 4.07217 3.28025 4.07209 -13.3855 GPRESSAVG: 3594400 38.1414 -6.797 3.44146 -4.93458 -61.0127 4.58543 3.83341 3.45506 -14.6805 TIMING: 3594400 CPU: 11423.7, 0.00316239/step Wall: 11423.7, 0.00316239/step, 1.23474 hours remaining, 242.089844 MB of memory in use. ENERGY: 3594400 4035.9312 20617.4394 14390.8687 227.5193 -203267.3975 2262.3166 0.0000 0.0000 51956.7911 -109776.5311 298.5964 -161733.3222 -109420.7342 298.7257 -171.6020 -147.9262 760025.4245 -12.4673 -12.5173 PRESSURE: 3594600 -272.59 -51.9093 75.9638 -51.9092 107.261 -254.299 75.9642 -254.298 174.342 GPRESSURE: 3594600 -226.54 -85.2836 48.7643 -100.274 179.826 -198.464 35.9331 -215.421 147.073 PRESSAVG: 3594600 67.3658 -41.3485 -5.06934 -41.3484 -42.2302 -3.77621 -5.06935 -3.77619 5.38487 GPRESSAVG: 3594600 66.2593 -42.2814 -4.08879 -42.6398 -41.9652 -3.77851 -5.56471 -2.749 6.39858 TIMING: 3594600 CPU: 11424.3, 0.00317278/step Wall: 11424.3, 0.00317278/step, 1.23862 hours remaining, 242.089844 MB of memory in use. ENERGY: 3594600 3965.7936 20619.0769 14424.1689 232.3988 -203209.4466 2322.9236 0.0000 0.0000 51751.5296 -109893.5551 297.4168 -161645.0847 -109533.3427 298.7799 3.0044 33.4529 760006.6859 10.1735 10.2309 PRESSURE: 3594800 -233.859 -33.8177 124.255 -33.8179 -136.595 124.295 124.255 124.295 108.576 GPRESSURE: 3594800 -120.378 17.6592 137.039 -125.244 -172.141 38.3368 113.537 92.9393 118.221 PRESSAVG: 3594800 33.1331 -33.4552 -58.7861 -33.4553 -25.2271 36.8877 -58.7862 36.8877 -8.69348 GPRESSAVG: 3594800 32.8064 -32.7839 -60.3405 -33.6111 -24.0977 35.2741 -58.2436 38.5203 -9.40553 TIMING: 3594800 CPU: 11425, 0.00314866/step Wall: 11425, 0.00314866/step, 1.22903 hours remaining, 242.089844 MB of memory in use. ENERGY: 3594800 3974.4125 20341.4079 14497.1039 251.4280 -203544.2116 2565.8373 0.0000 0.0000 52084.8706 -109829.1515 299.3325 -161914.0221 -109470.0689 298.0623 -87.2925 -58.0993 761520.4462 -0.2625 -0.2323 PRESSURE: 3595000 244.72 -83.591 12.4178 -83.5912 34.8625 -260.594 12.4181 -260.594 -76.9739 GPRESSURE: 3595000 364.73 -59.0797 -23.972 -37.8846 22.8973 -211.645 -70.3237 -226.433 -76.7807 PRESSAVG: 3595000 34.5567 -21.4857 -2.6346 -21.4857 -45.2527 -0.842685 -2.6346 -0.842781 -31.8385 GPRESSAVG: 3595000 33.8406 -22.9083 -2.77118 -21.1143 -47.0103 0.388996 -2.80441 -1.1523 -30.277 TIMING: 3595000 CPU: 11425.6, 0.00314166/step Wall: 11425.6, 0.00314166/step, 1.22612 hours remaining, 242.089844 MB of memory in use. ENERGY: 3595000 3876.8624 20329.1938 14409.4884 266.1311 -203892.7432 2983.9972 0.0000 0.0000 51999.7398 -110027.3305 298.8432 -162027.0703 -109668.8804 298.2451 67.5364 103.6155 761288.2319 -14.1782 -14.4822 PRESSURE: 3595200 -186.266 49.9627 13.2544 49.9629 -584.361 112.669 13.2539 112.668 -270.692 GPRESSURE: 3595200 -183.824 108.211 -50.124 -30.9226 -512.376 151.467 6.95024 61.8802 -258.762 PRESSAVG: 3595200 21.4025 -25.2354 7.80052 -25.2353 -47.6905 26.2909 7.80048 26.2909 -11.7884 GPRESSAVG: 3595200 21.8077 -25.6487 8.36839 -25.8012 -47.7254 26.9607 6.24111 23.433 -12.466 TIMING: 3595200 CPU: 11426.2, 0.00313372/step Wall: 11426.2, 0.00313372/step, 1.22285 hours remaining, 242.089844 MB of memory in use. ENERGY: 3595200 3976.9544 20507.7832 14479.6513 265.8670 -203607.1637 2448.4365 0.0000 0.0000 51895.2402 -110033.2311 298.2427 -161928.4713 -109683.0029 298.1123 -347.1063 -318.3205 760039.8031 -12.6921 -12.7946 PRESSURE: 3595400 -122.612 20.2733 51.4883 20.2747 63.6287 235.251 51.4886 235.251 -299.097 GPRESSURE: 3595400 -42.0462 37.8148 29.6815 65.4826 20.5695 202.321 160.214 72.4382 -263.48 PRESSAVG: 3595400 -26.7754 20.6926 -31.9162 20.6926 11.3393 -12.0734 -31.9161 -12.0732 44.8666 GPRESSAVG: 3595400 -26.5375 23.3485 -32.5229 20.0805 11.3399 -13.8044 -30.672 -11.6716 44.4925 TIMING: 3595400 CPU: 11426.8, 0.00314097/step Wall: 11426.8, 0.00314097/step, 1.2255 hours remaining, 242.089844 MB of memory in use. ENERGY: 3595400 3965.1428 20505.4206 14483.7406 247.3326 -203814.0555 2466.5611 0.0000 0.0000 52074.7275 -110071.1304 299.2742 -162145.8578 -109703.0349 298.0118 -119.3601 -94.9854 759755.5919 9.8102 9.7650 PRESSURE: 3595600 103.856 75.7081 -123.692 75.7084 -110.163 185.012 -123.692 185.012 257.06 GPRESSURE: 3595600 78.3348 40.634 -121.581 91.1599 -38.4537 190.986 -139.035 102.448 300.901 PRESSAVG: 3595600 31.8826 -69.434 36.4579 -69.434 -36.8679 15.3515 36.4578 15.3515 10.3432 GPRESSAVG: 3595600 30.0603 -71.0921 38.0957 -67.9993 -35.2751 17.3436 37.8602 15.693 10.3715 TIMING: 3595600 CPU: 11427.5, 0.00313506/step Wall: 11427.5, 0.00313506/step, 1.22302 hours remaining, 242.089844 MB of memory in use. ENERGY: 3595600 4090.3284 20497.8474 14538.0565 292.3803 -203785.6457 2718.6080 0.0000 0.0000 51629.3673 -110019.0578 296.7147 -161648.4251 -109666.6464 298.3243 83.5846 113.5939 760180.4039 1.7859 1.7189 PRESSURE: 3595800 157.977 -36.1944 234.002 -36.1951 289.878 2.2861 234.002 2.28615 105.122 GPRESSURE: 3595800 190.434 -45.4259 78.9285 18.4599 288.465 15.7712 138.524 108.605 142.951 PRESSAVG: 3595800 -46.0561 -58.0965 -15.4175 -58.0965 29.2257 -19.8488 -15.4176 -19.8488 -13.2361 GPRESSAVG: 3595800 -43.4329 -57.4278 -17.4645 -59.2413 27.1746 -19.6343 -17.8117 -19.7786 -13.4812 TIMING: 3595800 CPU: 11428.1, 0.00316411/step Wall: 11428.1, 0.00316411/step, 1.23418 hours remaining, 242.089844 MB of memory in use. ENERGY: 3595800 3903.0582 20551.8261 14442.6092 249.2010 -203948.6115 2771.9480 0.0000 0.0000 52150.1724 -109879.7964 299.7078 -162029.9688 -109512.2716 298.7954 184.3256 207.2832 759639.8306 -10.0222 -9.9132 PRESSURE: 3596000 -12.7326 64.615 -416.154 64.6157 -318.299 -13.5018 -416.154 -13.5017 146.672 GPRESSURE: 3596000 6.40901 98.5959 -422.678 -11.8568 -260.529 -47.268 -273.044 -19.7414 143.078 PRESSAVG: 3596000 -7.887 -13.1737 -37.3797 -13.1736 2.18078 -11.7334 -37.3797 -11.7335 -2.21042 GPRESSAVG: 3596000 -10.2553 -12.7333 -37.9872 -13.2504 3.8352 -12.2811 -36.1361 -10.3183 -2.13881 TIMING: 3596000 CPU: 11428.7, 0.00313851/step Wall: 11428.7, 0.00313851/step, 1.22402 hours remaining, 242.089844 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: 3596000 3942.1179 20509.8029 14414.8305 250.4690 -203484.8226 2491.0538 0.0000 0.0000 51930.3409 -109946.2076 298.4444 -161876.5485 -109582.4728 299.2327 -61.4532 -37.0139 760786.8218 -2.6389 -2.8530 PRESSURE: 3596200 178.82 14.1748 60.7587 14.175 -21.0186 91.6104 60.7593 91.611 310.62 GPRESSURE: 3596200 290.856 106.434 50.1786 -19.1838 -58.7706 51.4003 -82.8166 101.989 350.255 PRESSAVG: 3596200 -34.7019 30.9673 -8.57023 30.9673 14.9719 21.6375 -8.57021 21.6375 1.8524 GPRESSAVG: 3596200 -34.3261 30.2509 -6.74583 31.837 15.5736 20.7851 -8.57882 20.7167 1.15525 TIMING: 3596200 CPU: 11429.3, 0.00314537/step Wall: 11429.3, 0.00314537/step, 1.22652 hours remaining, 242.089844 MB of memory in use. ENERGY: 3596200 3908.9659 20483.0435 14398.9643 247.2479 -203609.3259 2626.5777 0.0000 0.0000 51983.1699 -109961.3567 298.7480 -161944.5267 -109597.8684 298.5802 156.1406 194.1137 760648.1574 -5.9592 -5.8658 LDB: ============= START OF LOAD BALANCING ============== 11441.8 LDB: ============== END OF LOAD BALANCING =============== 11441.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11441.8 LDB: ============= START OF LOAD BALANCING ============== 11442.1 LDB: Largest compute 7075 load 0.036015 is 18.4% of average load 0.195343 LDB: Average compute 0.004391 is 2.2% of average load 0.195343 LDB: TIME 11442.1 LOAD: AVG 0.195343 MAX 0.219549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.09 MB LDB: TIME 11442.1 LOAD: AVG 0.195343 MAX 0.219549 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.184 MB LDB: TIME 11442.1 LOAD: AVG 0.195343 MAX 0.217739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.184 MB LDB: ============== END OF LOAD BALANCING =============== 11442.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11442.1 PRESSURE: 3596400 -116.539 -82.2681 248.961 -82.268 -72.4034 38.8952 248.961 38.8959 28.5378 GPRESSURE: 3596400 -93.3528 -82.5149 240.006 -9.28017 -25.5778 -4.67148 76.5604 84.6373 49.0532 PRESSAVG: 3596400 -3.41403 -14.5314 1.38036 -14.5314 28.0573 -59.9669 1.38035 -59.9669 5.32337 GPRESSAVG: 3596400 -1.86013 -13.7353 0.636974 -13.8121 26.723 -59.8597 -0.616253 -59.4429 5.28642 TIMING: 3596400 CPU: 11430, 0.00325294/step Wall: 11430, 0.00325294/step, 1.26828 hours remaining, 241.187500 MB of memory in use. ENERGY: 3596400 4075.4838 20487.9282 14433.2092 257.2214 -203524.6572 2626.5831 0.0000 0.0000 51870.6472 -109773.5842 298.1013 -161644.2313 -109417.1805 299.0592 -53.4682 -23.2925 761532.1234 9.9889 10.0498 PRESSURE: 3596600 -392.678 -203.669 123.984 -203.669 -256.412 -81.4488 123.983 -81.4489 -122.951 GPRESSURE: 3596600 -289.757 -161.668 116.701 21.4421 -272.85 -110.485 155.826 -10.5006 -128.502 PRESSAVG: 3596600 8.31834 46.6522 -10.5464 46.6521 -41.1391 -42.5417 -10.5464 -42.5417 6.62795 GPRESSAVG: 3596600 7.79567 45.5141 -10.1213 46.5156 -40.8983 -41.7296 -9.35219 -41.3146 7.3338 TIMING: 3596600 CPU: 11430.6, 0.00317442/step Wall: 11430.6, 0.00317442/step, 1.2375 hours remaining, 241.390625 MB of memory in use. ENERGY: 3596600 4012.5258 20508.1871 14512.0065 250.8047 -203118.4165 2442.2246 0.0000 0.0000 51846.7206 -109545.9472 297.9638 -161392.6678 -109187.5208 298.9580 -257.3469 -230.3696 763758.5730 -8.7310 -8.5896 PRESSURE: 3596800 -390.738 293.721 -3.39228 293.721 -469.12 -190.022 -3.39286 -190.023 42.4479 GPRESSURE: 3596800 -341.572 257.406 7.04289 69.8344 -359.536 -171.504 0.458797 -151.42 -50.2777 PRESSAVG: 3596800 0.715951 10.2476 25.9996 10.2476 -26.7304 14.9678 25.9997 14.9677 28.7055 GPRESSAVG: 3596800 0.822413 10.6219 27.2769 7.46905 -26.9963 12.9591 25.9328 13.2637 28.6292 TIMING: 3596800 CPU: 11431.3, 0.00316357/step Wall: 11431.3, 0.00316357/step, 1.23309 hours remaining, 241.390625 MB of memory in use. ENERGY: 3596800 3966.7148 20530.2946 14448.6245 235.5287 -203413.4552 2352.2303 0.0000 0.0000 52235.7664 -109644.2958 300.1997 -161880.0623 -109264.8849 298.6741 -272.4701 -250.4621 761695.0985 0.8970 0.8185 PRESSURE: 3597000 -198.512 11.4913 -14.7885 11.4916 54.114 16.1434 -14.7881 16.143 13.9177 GPRESSURE: 3597000 -186.327 -13.5176 -40.1364 34.522 80.8234 -0.263125 -0.000551014 66.6633 59.0599 PRESSAVG: 3597000 -31.2443 25.1039 -21.6042 25.1039 -4.38996 -24.6397 -21.6043 -24.6396 25.0083 GPRESSAVG: 3597000 -31.0527 24.4343 -21.8766 27.0861 -3.31113 -24.1145 -21.438 -23.6861 24.2273 TIMING: 3597000 CPU: 11431.9, 0.00314859/step Wall: 11431.9, 0.00314859/step, 1.22707 hours remaining, 241.390625 MB of memory in use. ENERGY: 3597000 4005.1135 20564.8916 14407.1273 232.9249 -203591.8213 2568.9768 0.0000 0.0000 52110.4306 -109702.3567 299.4794 -161812.7873 -109333.2337 298.8392 -43.4933 -15.4813 760325.3871 -3.5420 -3.3788 PRESSURE: 3597200 -71.9859 -55.8549 -16.7133 -55.8549 -206.006 41.8875 -16.7129 41.8871 -145.678 GPRESSURE: 3597200 49.9041 17.4587 -49.6078 -112.786 -196.632 24.7217 168.779 51.1859 -170.139 PRESSAVG: 3597200 46.2101 11.745 -29.9271 11.745 -41.7187 -11.7455 -29.927 -11.7456 -14.7222 GPRESSAVG: 3597200 46.0008 13.3916 -32.4472 9.23082 -40.5771 -12.9311 -27.5918 -12.0285 -14.9829 TIMING: 3597200 CPU: 11432.5, 0.00314706/step Wall: 11432.5, 0.00314706/step, 1.2263 hours remaining, 241.390625 MB of memory in use. ENERGY: 3597200 3991.4855 20484.4527 14404.5800 248.7219 -203281.6362 2668.1509 0.0000 0.0000 51704.1321 -109780.1131 297.1444 -161484.2452 -109430.1131 298.3192 -141.2235 -105.6221 761899.4633 -3.4103 -3.1864 PRESSURE: 3597400 -10.6883 -46.4015 -401.008 -46.4017 -244.19 47.9016 -401.008 47.9008 -63.0603 GPRESSURE: 3597400 -39.5171 -55.9717 -351.078 -23.6303 -109.401 76.2767 -424.696 -134.461 -89.2415 PRESSAVG: 3597400 84.8269 4.12485 -66.3139 4.12484 -17.9391 -22.7103 -66.314 -22.7102 -12.1313 GPRESSAVG: 3597400 84.2069 2.68427 -64.3376 5.30408 -17.5647 -21.0938 -68.5679 -25.9885 -12.3568 TIMING: 3597400 CPU: 11433.2, 0.00317133/step Wall: 11433.2, 0.00317133/step, 1.23559 hours remaining, 241.390625 MB of memory in use. ENERGY: 3597400 4095.3487 20309.0862 14423.3122 256.0708 -203143.2372 2631.0523 0.0000 0.0000 51830.2741 -109598.0928 297.8693 -161428.3669 -109243.0347 298.6659 -105.9795 -79.3866 759499.1639 18.2522 18.0951 PRESSURE: 3597600 -111.956 146.553 16.6775 146.553 -19.853 -96.0665 16.6783 -96.0676 524.421 GPRESSURE: 3597600 -32.4565 255.698 88.5304 41.9026 -9.12282 -94.1917 2.98592 20.4346 523.839 PRESSAVG: 3597600 1.81564 -19.6656 -39.6054 -19.6656 18.4716 45.32 -39.6055 45.3199 -7.71359 GPRESSAVG: 3597600 2.08624 -19.9496 -41.8044 -19.8545 18.4913 43.1158 -41.1706 48.7641 -7.89335 TIMING: 3597600 CPU: 11433.8, 0.00317955/step Wall: 11433.8, 0.00317955/step, 1.23861 hours remaining, 241.390625 MB of memory in use. ENERGY: 3597600 4040.1071 20270.9659 14421.9243 250.3110 -203268.7959 2514.5174 0.0000 0.0000 51798.8601 -109972.1101 297.6888 -161770.9702 -109603.7745 298.5573 130.8706 160.7532 759292.5467 4.1912 4.2281 PRESSURE: 3597800 -395.127 141.237 -313.077 141.237 -2.85584 231.898 -313.077 231.897 80.2244 GPRESSURE: 3597800 -358.046 226.143 -287.346 147.402 31.8584 240.78 -189.271 143.223 120.598 PRESSAVG: 3597800 -8.91593 -6.71075 18.3629 -6.7108 -22.7496 11.327 18.3629 11.3271 -13.7048 GPRESSAVG: 3597800 -8.37696 -6.93357 18.8488 -5.53781 -23.0682 11.7785 21.3156 11.0003 -13.2428 TIMING: 3597800 CPU: 11434.4, 0.00317477/step Wall: 11434.4, 0.00317477/step, 1.23657 hours remaining, 241.390625 MB of memory in use. ENERGY: 3597800 3979.0779 20248.7731 14370.3791 236.8490 -203002.2962 2356.5304 0.0000 0.0000 51863.6024 -109947.0844 298.0608 -161810.6868 -109582.5428 298.2457 -105.9195 -68.5299 760745.9758 -15.1234 -14.8960 PRESSURE: 3598000 -90.4261 -51.6652 -66.7205 -51.6661 -47.8504 111.723 -66.7197 111.722 -55.1288 GPRESSURE: 3598000 39.866 -7.83534 27.2709 -116.52 -36.3274 118.325 -90.6165 89.6768 -134.528 PRESSAVG: 3598000 -17.4988 -24.5297 -53.8756 -24.5297 12.4558 -28.3891 -53.8755 -28.3891 -9.22451 GPRESSAVG: 3598000 -18.2109 -23.1251 -53.5482 -24.4317 13.8755 -26.5107 -54.4307 -30.6417 -9.51153 TIMING: 3598000 CPU: 11435.1, 0.00315093/step Wall: 11435.1, 0.00315093/step, 1.22711 hours remaining, 241.390625 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: 3598000 3998.6763 20510.5914 14382.2593 231.1073 -203487.4950 2536.6870 0.0000 0.0000 51792.5992 -110035.5744 297.6528 -161828.1736 -109680.4403 298.2254 -64.4684 -43.6632 760747.5682 -4.7558 -4.6156 PRESSURE: 3598200 -274.497 20.0909 -73.181 20.0912 -102.205 -179.896 -73.1808 -179.896 204.613 GPRESSURE: 3598200 -168.725 9.56261 -101.629 -13.7837 -108.89 -177.891 -134.71 -107.867 180.258 PRESSAVG: 3598200 35.3893 -3.80626 32.5325 -3.80622 -52.3877 53.9144 32.5326 53.9144 -3.68015 GPRESSAVG: 3598200 36.1044 -4.50671 34.4053 -6.11012 -53.0242 51.5534 32.0545 58.2062 -3.10189 TIMING: 3598200 CPU: 11435.7, 0.003135/step Wall: 11435.7, 0.003135/step, 1.22073 hours remaining, 241.390625 MB of memory in use. ENERGY: 3598200 3995.6015 20289.9890 14419.0712 249.0490 -203484.0038 2621.8675 0.0000 0.0000 51965.1817 -109943.2438 298.6446 -161908.4256 -109573.6818 298.4652 -57.3629 -32.4521 760770.1318 -6.8928 -6.6739 PRESSURE: 3598400 -240.108 109.497 64.6769 109.497 -8.88856 -86.1125 64.6767 -86.1124 -350.338 GPRESSURE: 3598400 -214.844 82.4171 66.1707 111.462 -76.7523 -174.582 144.383 -123.325 -219.877 PRESSAVG: 3598400 43.2439 21.0455 -24.7472 21.0456 -51.1769 -15.2784 -24.7472 -15.2784 7.27432 GPRESSAVG: 3598400 43.885 20.0451 -25.57 24.4461 -52.7607 -13.627 -24.8797 -17.3616 7.4382 TIMING: 3598400 CPU: 11436.3, 0.00313427/step Wall: 11436.3, 0.00313428/step, 1.22028 hours remaining, 241.390625 MB of memory in use. ENERGY: 3598400 4023.0603 20364.8325 14397.7804 241.3216 -203309.1287 2277.0781 0.0000 0.0000 52058.3354 -109946.7204 299.1800 -162005.0558 -109593.2324 298.4202 -199.7781 -170.4911 760989.9415 -0.2196 -0.4792 PRESSURE: 3598600 -39.0291 17.6114 115.18 17.612 166.946 72.6731 115.179 72.6745 -169.979 GPRESSURE: 3598600 3.63326 -15.058 134.952 4.97817 175.855 63.6714 140.802 201.532 -126.173 PRESSAVG: 3598600 0.5788 21.3923 -32.7757 21.3923 -38.8466 10.6293 -32.7757 10.6293 5.57798 GPRESSAVG: 3598600 0.674486 19.4779 -33.2302 19.629 -39.017 11.5666 -34.3291 11.3226 5.95217 TIMING: 3598600 CPU: 11436.9, 0.00315457/step Wall: 11436.9, 0.00315457/step, 1.22801 hours remaining, 241.390625 MB of memory in use. ENERGY: 3598600 4027.9290 20350.8977 14397.2909 263.9257 -203238.2860 2289.3993 0.0000 0.0000 52057.3076 -109851.5358 299.1741 -161908.8434 -109484.6220 298.8563 -14.0205 17.7718 760483.9595 -10.8966 -10.7968 PRESSURE: 3598800 305.81 -6.26896 -72.2137 -6.26872 -177.951 -202.1 -72.2138 -202.101 59.4099 GPRESSURE: 3598800 282.441 46.23 -214.624 88.2054 -80.6976 -79.3784 -9.77397 -203.627 58.1487 PRESSAVG: 3598800 2.64888 -16.6123 -3.60493 -16.6122 -12.6106 -2.12072 -3.60496 -2.1207 9.67712 GPRESSAVG: 3598800 4.34507 -15.331 -2.93565 -15.0657 -12.8464 -4.62717 -1.66083 -2.67078 7.97064 TIMING: 3598800 CPU: 11437.6, 0.00315757/step Wall: 11437.6, 0.00315757/step, 1.229 hours remaining, 241.390625 MB of memory in use. ENERGY: 3598800 3926.0224 20451.2376 14371.3761 246.9895 -203219.3748 2535.6668 0.0000 0.0000 51941.8924 -109746.1899 298.5108 -161688.0824 -109386.0628 298.4704 62.4228 86.6309 759409.8355 -0.0949 -0.1769 PRESSURE: 3599000 -173.739 50.5277 -201.073 50.5271 -27.1205 -101.193 -201.073 -101.195 -153.998 GPRESSURE: 3599000 -197.19 24.4141 -190.019 -93.1443 120.188 -103.195 -188.821 -162.088 -183.498 PRESSAVG: 3599000 -54.9743 35.6716 12.9811 35.6715 44.3755 74.4763 12.9811 74.4762 -19.5572 GPRESSAVG: 3599000 -57.5667 38.6018 12.148 31.7338 44.9611 77.0238 13.0622 72.4872 -17.4324 TIMING: 3599000 CPU: 11438.2, 0.00315362/step Wall: 11438.2, 0.00315362/step, 1.22728 hours remaining, 241.390625 MB of memory in use. ENERGY: 3599000 3938.8735 20428.8093 14325.6601 253.0994 -203085.6560 2193.1110 0.0000 0.0000 52079.9458 -109866.1568 299.3042 -161946.1026 -109501.9994 298.6845 -118.2858 -86.8333 760672.5263 -10.0520 -10.0127 PRESSURE: 3599200 -421.254 -12.1448 246.98 -12.1451 -159.638 19.4191 246.98 19.4177 163.44 GPRESSURE: 3599200 -394.961 -40.9598 291.717 -55.8479 -96.083 35.1452 260.565 107.016 172.861 PRESSAVG: 3599200 38.9679 36.229 -43.7574 36.229 -10.0378 27.1276 -43.7574 27.1276 -30.005 GPRESSAVG: 3599200 39.1241 35.3515 -43.4491 39.6844 -8.69391 26.2455 -44.7538 29.635 -31.6645 TIMING: 3599200 CPU: 11438.8, 0.00316417/step Wall: 11438.8, 0.00316417/step, 1.23121 hours remaining, 241.390625 MB of memory in use. ENERGY: 3599200 4089.3492 20445.7145 14385.6377 254.9317 -203087.5427 2311.1053 0.0000 0.0000 51884.7741 -109716.0302 298.1825 -161600.8043 -109362.4201 298.6802 -139.1507 -106.0609 759337.4451 -0.3583 -0.4114 PRESSURE: 3599400 -183.797 -65.2957 171.655 -65.2965 -191.667 318.64 171.654 318.639 -142.101 GPRESSURE: 3599400 -107.992 -31.7764 121.152 89.9508 -280.05 256.174 329.351 333.251 -47.7221 PRESSAVG: 3599400 -49.2207 36.0499 -7.61382 36.0499 6.27674 48.7879 -7.61378 48.788 21.6901 GPRESSAVG: 3599400 -48.9217 34.3043 -6.45703 35.8614 5.29887 49.4931 -6.54683 48.4244 22.2863 TIMING: 3599400 CPU: 11439.5, 0.00314005/step Wall: 11439.5, 0.00314005/step, 1.22166 hours remaining, 241.390625 MB of memory in use. ENERGY: 3599400 3950.4026 20504.0266 14440.3893 246.9982 -203030.4723 2223.9947 0.0000 0.0000 52212.8239 -109451.8371 300.0678 -161664.6610 -109102.5397 299.2659 -172.5217 -145.2546 761303.1479 -7.0846 -7.1122 PRESSURE: 3599600 -298.053 -207.864 78.6748 -207.865 -125.346 19.044 78.675 19.0446 163.484 GPRESSURE: 3599600 -250.769 -215.151 -57.9416 -146.762 -58.5315 43.6067 43.6126 30.0838 136.759 PRESSAVG: 3599600 31.5131 -5.25565 -37.6909 -5.25565 -48.1373 0.625889 -37.6909 0.626019 20.6143 GPRESSAVG: 3599600 32.803 -5.06456 -37.6214 -4.92431 -50.384 0.334718 -39.5521 0.85614 21.3651 TIMING: 3599600 CPU: 11440.1, 0.00313385/step Wall: 11440.1, 0.00313385/step, 1.21907 hours remaining, 241.390625 MB of memory in use. ENERGY: 3599600 3944.7840 20546.4700 14438.5935 268.6565 -202937.2680 2464.7838 0.0000 0.0000 52078.7706 -109195.2095 299.2974 -161273.9802 -108833.0822 299.9820 -86.6384 -57.5139 760559.9126 1.3300 1.2613 PRESSURE: 3599800 -244.12 200.763 -88.6007 200.763 58.0387 -124.868 -88.601 -124.867 -125.802 GPRESSURE: 3599800 -174.376 45.1392 -111.93 168.925 27.1513 -106.803 23.8708 -107.019 -91.5719 PRESSAVG: 3599800 -52.5684 -10.936 1.03678 -10.936 15.746 34.9178 1.03681 34.9178 -8.18255 GPRESSAVG: 3599800 -52.9891 -10.6791 -1.40219 -12.6063 17.2465 33.088 4.16931 35.3189 -8.89617 TIMING: 3599800 CPU: 11440.7, 0.00314927/step Wall: 11440.7, 0.00314927/step, 1.22489 hours remaining, 241.390625 MB of memory in use. ENERGY: 3599800 4070.7881 20572.6744 14408.1452 254.8895 -203135.3997 2595.5358 0.0000 0.0000 51922.4113 -109310.9554 298.3988 -161233.3667 -108965.2411 299.5668 -103.9611 -79.5987 760430.9106 -15.0017 -14.8796 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3600000 207.241 -11.1745 -25.2298 -11.1756 9.57905 -74.5012 -25.2294 -74.5009 -184.164 GPRESSURE: 3600000 295.625 108.555 10.9361 34.643 -49.8031 -104.841 -87.5746 -27.5906 -126.024 PRESSAVG: 3600000 -51.9312 0.900048 3.5802 0.900045 20.6333 0.905553 3.58017 0.905603 9.19957 GPRESSAVG: 3600000 -52.057 1.79414 3.42771 1.49238 20.5305 3.00668 1.18552 0.489634 9.28196 TIMING: 3600000 CPU: 11441.4, 0.00326967/step Wall: 11441.4, 0.00326967/step, 1.27154 hours remaining, 241.390625 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: 3600000 4002.7906 20489.8930 14450.4076 252.7761 -203231.5796 2674.3881 0.0000 0.0000 51967.0342 -109394.2901 298.6553 -161361.3243 -109029.8515 299.4408 10.8855 39.9328 761444.1312 -7.3661 -7.4148 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 -281.508 -230.957 209.666 -230.957 361.367 -38.7238 209.667 -38.724 100.495 GPRESSURE: 3600200 -136.507 -170.552 192.537 -214.804 297.274 -55.1031 299.326 -16.1548 113.314 PRESSAVG: 3600200 -15.8505 -1.32013 39.1429 -1.32019 48.2551 -10.3658 39.1429 -10.3659 21.0537 GPRESSAVG: 3600200 -15.9518 -2.87104 40.8216 -1.45652 49.063 -11.3318 38.2265 -10.2403 20.582 TIMING: 3600200 CPU: 11442, 0.00317381/step Wall: 11442, 0.00317381/step, 1.23408 hours remaining, 241.390625 MB of memory in use. ENERGY: 3600200 3938.4538 20530.3119 14424.2448 252.0358 -203591.2558 2834.0578 0.0000 0.0000 51914.6836 -109697.4681 298.3544 -161612.1517 -109343.7914 298.7510 60.1179 91.3604 760969.8602 17.8195 17.8977 LDB: ============= START OF LOAD BALANCING ============== 11454.5 LDB: ============== END OF LOAD BALANCING =============== 11454.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11454.5 LDB: ============= START OF LOAD BALANCING ============== 11454.8 LDB: Largest compute 7032 load 0.036347 is 18.6% of average load 0.195286 LDB: Average compute 0.004408 is 2.3% of average load 0.195286 LDB: TIME 11454.8 LOAD: AVG 0.195286 MAX 0.215928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 11454.8 LOAD: AVG 0.195286 MAX 0.215928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 11454.8 LOAD: AVG 0.195286 MAX 0.215928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 11454.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11454.8 PRESSURE: 3600400 64.3336 44.0583 1.3854 44.0584 -319.766 73.7097 1.38528 73.7096 -330.915 GPRESSURE: 3600400 75.1021 48.2643 23.4946 66.2282 -188.919 69.5867 -25.1344 31.196 -389.323 PRESSAVG: 3600400 11.5722 10.3326 3.02857 10.3326 5.91055 0.561185 3.02865 0.561164 5.21811 GPRESSAVG: 3600400 11.2213 11.3431 3.05767 10.3157 6.78217 0.558062 5.11776 -0.813591 4.68921 TIMING: 3600400 CPU: 11442.7, 0.003196/step Wall: 11442.7, 0.003196/step, 1.24254 hours remaining, 240.550781 MB of memory in use. ENERGY: 3600400 3953.4928 20295.4291 14386.8459 243.9558 -203106.7634 2368.7674 0.0000 0.0000 51980.7376 -109877.5349 298.7340 -161858.2724 -109512.9341 298.7920 -195.4492 -167.7134 761344.4084 7.5669 7.5642 PRESSURE: 3600600 101.989 89.0003 -18.4074 88.9997 69.3633 -183.775 -18.4063 -183.775 94.5261 GPRESSURE: 3600600 130.647 -27.8882 47.5062 104.118 7.00527 -308.709 -68.5931 -175.173 202.491 PRESSAVG: 3600600 19.2126 -27.7222 -7.43638 -27.7222 -40.4153 9.73559 -7.43636 9.7357 8.91322 GPRESSAVG: 3600600 18.1576 -28.0656 -8.15185 -27.8972 -39.8776 8.63703 -9.27131 10.2859 9.14105 TIMING: 3600600 CPU: 11443.3, 0.00315334/step Wall: 11443.3, 0.00315334/step, 1.22577 hours remaining, 240.550781 MB of memory in use. ENERGY: 3600600 3973.9651 20546.7774 14436.3636 251.6887 -203754.8710 2778.8786 0.0000 0.0000 52050.9803 -109716.2173 299.1377 -161767.1976 -109360.1342 298.7909 88.6261 113.3810 759900.2431 -4.0965 -4.1930 PRESSURE: 3600800 65.6543 -126.921 -27.0047 -126.921 299.138 -44.0819 -27.0053 -44.0827 172.612 GPRESSURE: 3600800 138.081 -58.4969 -6.58848 -134.4 316.053 136.459 94.5603 -15.75 187.827 PRESSAVG: 3600800 53.0079 2.88352 -13.1715 2.88354 -58.5596 -21.5698 -13.1716 -21.5698 2.38998 GPRESSAVG: 3600800 53.7362 2.18148 -11.9544 2.47406 -59.8939 -20.0245 -12.5689 -21.4273 3.11755 TIMING: 3600800 CPU: 11443.9, 0.00314369/step Wall: 11443.9, 0.00314369/step, 1.22185 hours remaining, 240.550781 MB of memory in use. ENERGY: 3600800 3942.7244 20496.8424 14418.7622 248.5600 -203775.6640 3009.3147 0.0000 0.0000 52173.8023 -109485.6580 299.8436 -161659.4603 -109124.3792 299.6139 179.1347 213.9869 760640.0622 -1.0539 -1.0134 PRESSURE: 3601000 -244.554 -146.146 118.276 -146.146 -31.4083 -101.627 118.276 -101.627 -388.625 GPRESSURE: 3601000 -171.119 -220.85 120.765 -54.8176 -48.7905 -66.3309 92.089 -154.821 -347.363 PRESSAVG: 3601000 3.78903 -59.2876 2.47428 -59.2876 -24.1799 6.06129 2.47422 6.06131 -0.600307 GPRESSAVG: 3601000 3.99928 -58.9596 1.01682 -61.2884 -25.0942 6.58985 2.55413 6.09696 0.141212 TIMING: 3601000 CPU: 11444.5, 0.00314673/step Wall: 11444.5, 0.00314673/step, 1.22285 hours remaining, 240.550781 MB of memory in use. ENERGY: 3601000 4060.3605 20489.9204 14426.7746 261.4137 -203440.6655 2377.2071 0.0000 0.0000 52249.1715 -109575.8177 300.2767 -161824.9891 -109212.5083 299.5902 -221.5293 -189.0908 760985.9515 -6.9971 -6.9846 PRESSURE: 3601200 96.04 67.5499 113.093 67.5507 179.168 128.28 113.092 128.282 465.051 GPRESSURE: 3601200 242.386 -41.9168 54.0357 42.0645 135.455 234.885 57.659 128.379 445.73 PRESSAVG: 3601200 50.9374 -6.09787 -13.6042 -6.09789 -47.4101 11.4248 -13.6042 11.4248 -11.6172 GPRESSAVG: 3601200 51.7692 -5.73105 -12.3458 -2.07375 -46.928 11.0172 -13.858 11.2751 -13.2792 TIMING: 3601200 CPU: 11445.2, 0.00313245/step Wall: 11445.2, 0.00313245/step, 1.21713 hours remaining, 240.550781 MB of memory in use. ENERGY: 3601200 3957.3452 20619.0988 14433.1743 248.5857 -203641.9613 2725.8915 0.0000 0.0000 52118.5905 -109539.2754 299.5263 -161657.8659 -109173.5150 299.5978 246.7530 274.5237 758435.5477 -2.6966 -2.8127 PRESSURE: 3601400 -259.685 1.37479 189.872 1.37394 -175.505 -168.256 189.871 -168.257 -386.678 GPRESSURE: 3601400 -100.245 80.5784 85.1608 -67.9462 -234.305 -123.538 292.125 -67.5409 -388.631 PRESSAVG: 3601400 13.2697 -2.99944 72.5105 -2.99944 -39.1637 26.6199 72.5105 26.6199 -38.2553 GPRESSAVG: 3601400 14.2627 -2.60832 73.4322 -3.56098 -40.1631 27.078 73.1049 26.9062 -38.0992 TIMING: 3601400 CPU: 11445.8, 0.00314747/step Wall: 11445.8, 0.00314747/step, 1.22279 hours remaining, 240.550781 MB of memory in use. ENERGY: 3601400 3944.6682 20483.6478 14427.6793 237.2888 -203075.0699 2335.0749 0.0000 0.0000 52145.4296 -109501.2812 299.6805 -161646.7108 -109139.5450 299.3448 -273.9558 -241.0606 760762.2806 -21.3831 -21.3332 PRESSURE: 3601600 -225.14 19.1318 48.3732 19.1311 2.28376 -100.075 48.3737 -100.077 -58.717 GPRESSURE: 3601600 -168.232 88.1179 -24.1957 25.4881 58.1482 -35.6998 -27.7246 -125.838 -74.6205 PRESSAVG: 3601600 -14.7038 -31.5935 -16.057 -31.5936 22.2095 -19.8692 -16.057 -19.8693 4.11171 GPRESSAVG: 3601600 -14.7981 -32.4946 -16.3122 -31.9119 24.4953 -20.3751 -17.2447 -21.821 2.87302 TIMING: 3601600 CPU: 11446.4, 0.00314073/step Wall: 11446.4, 0.00314073/step, 1.22 hours remaining, 240.550781 MB of memory in use. ENERGY: 3601600 3935.0368 20389.0865 14485.9490 235.0195 -203298.1263 2570.8030 0.0000 0.0000 51981.4008 -109700.8308 298.7378 -161682.2316 -109336.5276 299.0349 -93.8576 -61.5682 758640.7331 3.8725 4.1901 PRESSURE: 3601800 98.8748 -118.181 -233.081 -118.181 -626.062 8.97793 -233.081 8.9771 -175.081 GPRESSURE: 3601800 31.4093 -99.2142 -203.517 -79.3199 -493.947 -7.84656 -211.971 77.7882 -182.581 PRESSAVG: 3601800 40.6574 -54.0226 -62.2193 -54.0225 -38.0758 -62.264 -62.2193 -62.2641 -2.24909 GPRESSAVG: 3601800 38.3663 -52.8288 -62.8008 -56.0433 -37.2139 -62.6502 -62.6911 -62.3753 -1.05248 TIMING: 3601800 CPU: 11447.1, 0.00314271/step Wall: 11447.1, 0.00314271/step, 1.2206 hours remaining, 240.550781 MB of memory in use. ENERGY: 3601800 4032.8899 20489.9045 14479.1592 227.6311 -203212.0256 2348.7775 0.0000 0.0000 52037.4609 -109596.2026 299.0600 -161633.6636 -109235.8411 299.0196 -234.0895 -215.0397 759017.8516 0.1108 0.0333 PRESSURE: 3602000 6.93141 4.69372 -115.668 4.6944 -297.724 7.60498 -115.668 7.60555 267.285 GPRESSURE: 3602000 77.3603 -8.76634 -77.2708 78.355 -277.86 -50.4679 -92.8386 -31.5392 261.971 PRESSAVG: 3602000 42.1718 -28.9398 12.1492 -28.9398 -36.754 -14.7983 12.1492 -14.7984 -18.2553 GPRESSAVG: 3602000 44.6431 -29.5584 12.953 -26.9551 -38.6895 -15.1189 12.5482 -13.6429 -18.5494 TIMING: 3602000 CPU: 11447.7, 0.00314733/step Wall: 11447.7, 0.00314733/step, 1.22221 hours remaining, 240.550781 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: 3602000 4007.5856 20556.2207 14447.2230 260.0222 -203546.3087 2561.2328 0.0000 0.0000 51986.1756 -109727.8489 298.7653 -161714.0245 -109375.4318 298.7820 -7.8360 20.4903 758411.4974 -4.2792 -4.1986 PRESSURE: 3602200 -105.871 189.092 -13.0708 189.092 265.743 -318.222 -13.0705 -318.222 26.9298 GPRESSURE: 3602200 -48.6479 219.762 -41.0909 132.024 257.137 -271.303 21.6729 -407.237 53.4925 PRESSAVG: 3602200 53.1823 42.5886 -2.64274 42.5886 -56.3989 -48.7453 -2.64279 -48.7454 -4.85941 GPRESSAVG: 3602200 53.2205 42.9268 -2.84318 43.0037 -56.111 -49.0024 -3.18837 -49.0032 -5.04757 TIMING: 3602200 CPU: 11448.3, 0.00312427/step Wall: 11448.3, 0.00312427/step, 1.21309 hours remaining, 240.550781 MB of memory in use. ENERGY: 3602200 3990.7136 20447.1532 14589.8369 256.5326 -203343.2732 2395.0583 0.0000 0.0000 51983.6771 -109680.3015 298.7509 -161663.9786 -109322.6354 298.8476 62.2672 87.3273 758047.5992 -2.6920 -2.6460 PRESSURE: 3602400 -319.591 42.2187 -3.59402 42.219 149.457 -136.527 -3.59499 -136.528 -147.014 GPRESSURE: 3602400 -213.267 -0.11407 45.876 12.4249 132.613 -103.656 -73.906 -15.5952 -180.528 PRESSAVG: 3602400 48.444 -29.1321 -9.3004 -29.132 -37.9189 28.0879 -9.30036 28.088 19.3006 GPRESSAVG: 3602400 47.9624 -30.7673 -10.956 -28.9603 -37.7127 29.2144 -7.90671 29.3144 19.322 TIMING: 3602400 CPU: 11448.9, 0.00313037/step Wall: 11448.9, 0.00313037/step, 1.21528 hours remaining, 240.550781 MB of memory in use. ENERGY: 3602400 4045.3010 20387.5231 14483.4603 251.1723 -203648.7208 2616.5889 0.0000 0.0000 52261.2154 -109603.4599 300.3459 -161864.6753 -109230.7327 299.2259 -105.7162 -87.0608 759427.4314 9.9419 9.8572 PRESSURE: 3602600 -121.385 -160.569 -126.935 -160.569 -0.79316 160.274 -126.934 160.274 -408.335 GPRESSURE: 3602600 -108.512 -183.028 -89.397 -179.194 6.04696 -0.046613 -58.133 120.186 -323.086 PRESSAVG: 3602600 19.0878 -26.1609 -35.819 -26.161 28.3064 53.9488 -35.819 53.9489 -21.8052 GPRESSAVG: 3602600 19.2474 -24.174 -33.7705 -28.4609 28.2993 51.7264 -36.5217 53.6275 -21.5434 TIMING: 3602600 CPU: 11449.6, 0.0031551/step Wall: 11449.6, 0.0031551/step, 1.2247 hours remaining, 240.550781 MB of memory in use. ENERGY: 3602600 3962.9838 20500.9774 14425.6559 247.4887 -203101.2859 2445.4676 0.0000 0.0000 52008.6725 -109510.0400 298.8946 -161518.7125 -109149.8527 299.4288 -176.8375 -141.8505 758969.4383 8.5297 8.6678 PRESSURE: 3602800 -256.413 -38.8415 166.818 -38.8421 -295.549 -93.4187 166.817 -93.4197 359.863 GPRESSURE: 3602800 -259.946 -43.401 142.071 97.8173 -145.324 -86.8238 66.719 -35.7556 323.015 PRESSAVG: 3602800 69.3784 -19.1991 37.1079 -19.1991 -49.904 -10.6042 37.1079 -10.6041 7.8543 GPRESSAVG: 3602800 68.7224 -18.598 36.2896 -16.5604 -48.682 -9.93496 36.5764 -10.3928 7.02836 TIMING: 3602800 CPU: 11450.2, 0.00314494/step Wall: 11450.2, 0.00314494/step, 1.22058 hours remaining, 240.550781 MB of memory in use. ENERGY: 3602800 3993.9120 20357.8828 14426.1107 257.1399 -202693.5467 2182.2537 0.0000 0.0000 51933.9690 -109542.2787 298.4652 -161476.2477 -109181.5829 299.0282 -64.0329 -27.4183 761046.6711 9.1095 9.0229 PRESSURE: 3603000 11.3651 126.152 112.236 126.152 156.86 -46.9902 112.237 -46.9896 248.063 GPRESSURE: 3603000 118.505 51.7956 167.46 73.5419 120.35 -75.182 85.3044 69.1641 239.162 PRESSAVG: 3603000 54.9103 25.804 -10.5625 25.804 -58.4424 -3.04314 -10.5624 -3.04321 12.9018 GPRESSAVG: 3603000 55.1742 25.9594 -10.2828 26.0301 -59.6806 -2.57154 -9.95544 -4.53814 13.9843 TIMING: 3603000 CPU: 11450.8, 0.00315654/step Wall: 11450.8, 0.00315654/step, 1.22491 hours remaining, 240.550781 MB of memory in use. ENERGY: 3603000 3980.1752 20513.3740 14506.9127 231.0296 -203193.2230 2491.5973 0.0000 0.0000 52175.1325 -109295.0017 299.8512 -161470.1342 -108933.1104 299.3256 138.7625 159.3392 760751.1116 3.1232 3.1593 PRESSURE: 3603200 -268.169 0.00660453 140.094 0.00707585 -13.7522 35.6209 140.094 35.6222 -125.997 GPRESSURE: 3603200 -142.758 -91.6893 85.0761 -99.8886 -1.44268 17.166 64.3894 39.7583 -178.845 PRESSAVG: 3603200 42.7038 0.903319 -40.5741 0.903341 -38.8537 63.1315 -40.5741 63.1315 20.0227 GPRESSAVG: 3603200 42.792 -0.445853 -41.182 0.945458 -39.1918 62.2299 -41.3388 65.5874 20.0454 TIMING: 3603200 CPU: 11451.5, 0.00318915/step Wall: 11451.5, 0.00318915/step, 1.23739 hours remaining, 240.550781 MB of memory in use. ENERGY: 3603200 4071.2606 20639.1734 14445.7772 251.9575 -203487.4351 2555.9571 0.0000 0.0000 52183.2838 -109340.0255 299.8980 -161523.3092 -108983.6122 299.6920 -135.9729 -107.6819 762156.7521 7.9576 7.8819 PRESSURE: 3603400 212.21 106.834 156.155 106.834 -524.062 -107.09 156.155 -107.091 -370.125 GPRESSURE: 3603400 209.334 40.8893 102.775 146.182 -419.462 -58.3995 159.807 -136.378 -381.819 PRESSAVG: 3603400 14.6854 40.4815 6.22822 40.4815 -21.415 1.93917 6.22827 1.93918 12.9404 GPRESSAVG: 3603400 15.6386 41.0415 7.04314 39.237 -21.7308 1.90638 6.62815 2.29049 12.5505 TIMING: 3603400 CPU: 11452.1, 0.00315886/step Wall: 11452.1, 0.00315886/step, 1.22546 hours remaining, 240.550781 MB of memory in use. ENERGY: 3603400 4002.1068 20638.8334 14518.3007 245.0794 -202943.8014 2325.2455 0.0000 0.0000 52004.9659 -109209.2697 298.8733 -161214.2356 -108851.9569 299.7143 -227.3256 -197.3157 761932.6018 2.0703 2.1528 PRESSURE: 3603600 -270.03 30.7572 -175.44 30.7561 6.8212 1.69817 -175.44 1.69854 337.562 GPRESSURE: 3603600 -311.606 58.1842 -186.829 -5.42544 126.897 -31.0813 -75.5838 3.99804 340.796 PRESSAVG: 3603600 -39.0428 8.64283 -1.98676 8.64282 50.4924 -17.1707 -1.98676 -17.1707 -6.95838 GPRESSAVG: 3603600 -39.2958 9.07247 -1.08907 7.81404 51.0315 -14.9248 -1.2244 -18.7725 -7.09714 TIMING: 3603600 CPU: 11452.7, 0.00316704/step Wall: 11452.7, 0.00316704/step, 1.22846 hours remaining, 240.550781 MB of memory in use. ENERGY: 3603600 4060.5146 20557.3861 14531.9718 240.4607 -203499.3797 2587.9006 0.0000 0.0000 52285.0113 -109236.1346 300.4827 -161521.1459 -108870.8046 300.4556 24.7845 52.0291 760651.9495 1.4971 1.5462 PRESSURE: 3603800 -157.789 -105.048 14.3824 -105.048 -200.443 6.68245 14.3822 6.68236 -72.7547 GPRESSURE: 3603800 -119.341 -62.8526 23.7463 -84.7819 -169.816 -66.8605 49.0334 7.99825 -34.0151 PRESSAVG: 3603800 -66.925 0.0537494 22.5728 0.0537141 84.4149 66.098 22.5728 66.0981 -5.69606 GPRESSAVG: 3603800 -67.2941 -0.935993 20.9958 -0.687714 84.6841 64.036 23.9829 65.4004 -5.00237 TIMING: 3603800 CPU: 11453.4, 0.00318492/step Wall: 11453.4, 0.00318492/step, 1.23522 hours remaining, 240.550781 MB of memory in use. ENERGY: 3603800 4008.8519 20483.1105 14502.9538 227.7259 -203312.6943 2528.9313 0.0000 0.0000 52192.1450 -109368.9760 299.9490 -161561.1210 -108997.5561 299.7981 -143.6621 -107.7241 760849.7737 3.9313 4.1292 PRESSURE: 3604000 11.0749 -30.3733 115.827 -30.3731 -44.9844 -62.5717 115.826 -62.571 166.054 GPRESSURE: 3604000 85.3239 -169.612 150.291 17.5599 7.7394 66.4701 -84.9077 -35.4214 141.44 PRESSAVG: 3604000 9.90648 5.0288 2.25456 5.02878 -32.045 -60.1657 2.25457 -60.1658 2.05704 GPRESSAVG: 3604000 10.9673 4.76278 1.83142 4.92914 -32.1256 -59.8669 1.3554 -60.5529 1.53386 TIMING: 3604000 CPU: 11454, 0.00312774/step Wall: 11454, 0.00312774/step, 1.21287 hours remaining, 240.550781 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: 3604000 3981.5175 20620.5477 14427.7593 237.9574 -203139.5092 2413.8693 0.0000 0.0000 52210.0832 -109247.7749 300.0521 -161457.8581 -108882.4260 299.9092 44.0483 78.1679 760141.8522 -6.6938 -6.5415 PRESSURE: 3604200 71.6416 -55.7236 39.8543 -55.7236 45.8353 131.183 39.8537 131.183 -55.375 GPRESSURE: 3604200 57.5421 -7.97118 30.9039 -16.3196 80.4918 119.529 16.1378 -72.3258 -12.3264 PRESSAVG: 3604200 -46.2974 -21.3164 -21.1866 -21.3165 11.3648 2.94295 -21.1865 2.94299 26.7261 GPRESSAVG: 3604200 -45.4866 -19.5596 -21.6874 -20.347 11.1536 3.48306 -20.1779 5.2776 26.4455 TIMING: 3604200 CPU: 11454.6, 0.00315274/step Wall: 11454.6, 0.00315274/step, 1.22239 hours remaining, 240.550781 MB of memory in use. ENERGY: 3604200 4008.4116 20484.4982 14562.3294 233.3868 -203204.6819 2569.7094 0.0000 0.0000 52072.6463 -109273.7002 299.2622 -161346.3465 -108913.5815 299.8118 20.7007 41.9025 760255.3716 -2.7355 -2.6291 LDB: ============= START OF LOAD BALANCING ============== 11467.1 LDB: ============== END OF LOAD BALANCING =============== 11467.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11467.1 LDB: ============= START OF LOAD BALANCING ============== 11467.4 LDB: Largest compute 7048 load 0.035885 is 18.4% of average load 0.195218 LDB: Average compute 0.004422 is 2.3% of average load 0.195218 LDB: TIME 11467.4 LOAD: AVG 0.195218 MAX 0.21866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 11467.4 LOAD: AVG 0.195218 MAX 0.21866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: TIME 11467.4 LOAD: AVG 0.195218 MAX 0.215055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.301 MB LDB: ============== END OF LOAD BALANCING =============== 11467.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11467.4 PRESSURE: 3604400 304.538 -3.59377 53.3214 -3.59359 14.1457 -120.324 53.3211 -120.323 -132.66 GPRESSURE: 3604400 302.932 -6.80253 54.5236 -15.5566 95.3371 -120.379 -23.6232 -42.334 -135.199 PRESSAVG: 3604400 13.7362 -16.4743 -2.154 -16.4743 4.09818 37.1115 -2.15401 37.1115 -20.6011 GPRESSAVG: 3604400 13.8631 -18.3956 -1.22666 -14.785 3.44079 37.8961 -3.39596 35.2591 -19.9006 TIMING: 3604400 CPU: 11455.3, 0.00322159/step Wall: 11455.3, 0.00322159/step, 1.2489 hours remaining, 240.039062 MB of memory in use. ENERGY: 3604400 3911.2461 20555.0162 14518.7581 262.7377 -202948.3173 2258.5607 0.0000 0.0000 52221.5705 -109220.4281 300.1181 -161441.9986 -108858.0195 299.6274 62.0078 87.6899 758911.6374 -0.9222 -0.8656 PRESSURE: 3604600 -51.748 65.4124 -128.722 65.4134 108.647 -78.3149 -128.722 -78.3151 209.277 GPRESSURE: 3604600 52.6104 -12.9668 -147.1 -1.46019 90.853 -153.995 -53.9395 -10.9612 214.568 PRESSAVG: 3604600 -11.7861 -16.2119 26.7465 -16.212 30.6589 46.839 26.7465 46.839 32.5886 GPRESSAVG: 3604600 -11.6458 -13.8107 26.2533 -17.236 30.6872 47.738 27.2966 46.0839 32.0223 TIMING: 3604600 CPU: 11455.9, 0.00319616/step Wall: 11455.9, 0.00319616/step, 1.23887 hours remaining, 240.039062 MB of memory in use. ENERGY: 3604600 3979.7710 20567.9982 14464.5128 245.1176 -203198.6029 2491.7220 0.0000 0.0000 52203.2748 -109246.2065 300.0129 -161449.4813 -108876.7766 300.1751 88.7254 119.3436 758962.7814 17.1538 17.0213 PRESSURE: 3604800 -174.197 -72.4821 219.941 -72.4826 43.6711 -119.013 219.94 -119.012 309.626 GPRESSURE: 3604800 -111.506 -2.70759 117.953 1.76201 92.2157 -91.5241 167.074 -99.361 269.41 PRESSAVG: 3604800 49.722 -6.76012 25.1105 -6.76012 -32.3189 6.4179 25.1105 6.41788 -12.8379 GPRESSAVG: 3604800 48.8512 -8.42154 24.5103 -7.39714 -32.6779 3.53082 25.4023 9.30766 -11.9904 TIMING: 3604800 CPU: 11456.5, 0.00313273/step Wall: 11456.5, 0.00313273/step, 1.21411 hours remaining, 240.039062 MB of memory in use. ENERGY: 3604800 3955.7654 20637.3484 14485.5018 244.5948 -203196.8028 2377.1304 0.0000 0.0000 52138.6442 -109357.8178 299.6415 -161496.4620 -108992.6881 300.0141 59.7001 83.3732 760634.2720 1.5217 1.3943 PRESSURE: 3605000 174.217 185.738 -212.91 185.737 15.4001 51.7047 -212.91 51.704 30.9298 GPRESSURE: 3605000 161.426 107.83 -155.53 159.527 146.514 45.0332 -212.876 97.745 13.2582 PRESSAVG: 3605000 13.4742 -48.945 -24.4846 -48.945 -30.4468 3.72293 -24.4846 3.7229 13.1417 GPRESSAVG: 3605000 14.2256 -49.0675 -24.0528 -48.5737 -29.4785 5.79943 -26.1424 2.47161 11.7744 TIMING: 3605000 CPU: 11457.2, 0.00317288/step Wall: 11457.2, 0.00317288/step, 1.22949 hours remaining, 240.039062 MB of memory in use. ENERGY: 3605000 4006.6048 20378.3937 14564.6332 246.8880 -203154.8792 2423.5712 0.0000 0.0000 52252.7957 -109281.9927 300.2975 -161534.7884 -108914.5148 300.1203 73.5156 107.0659 760047.9367 -1.2770 -1.1595 PRESSURE: 3605200 106.242 86.1767 69.1016 86.177 -238.691 -156.512 69.1012 -156.513 -500.582 GPRESSURE: 3605200 235.089 164.836 -35.8891 81.2535 -254.514 -197.927 50.706 -150.163 -523.214 PRESSAVG: 3605200 -9.05258 -1.39664 10.3008 -1.39671 10.1951 -6.13191e-05 10.3008 -0.000109696 -18.0435 GPRESSAVG: 3605200 -9.65263 -0.872932 11.9767 -2.44716 9.851 -1.96637 9.78953 -0.18936 -16.8838 TIMING: 3605200 CPU: 11457.8, 0.00316338/step Wall: 11457.8, 0.00316338/step, 1.22563 hours remaining, 240.039062 MB of memory in use. ENERGY: 3605200 4050.2352 20429.8151 14576.0242 236.8835 -203522.7030 2650.1597 0.0000 0.0000 52135.4097 -109444.1757 299.6229 -161579.5854 -109095.1624 299.8402 -211.0105 -180.8798 760187.5792 -5.6337 -5.5618 PRESSURE: 3605400 -142.508 -239.264 125.043 -239.263 -94.2036 33.0577 125.043 33.0579 -122.796 GPRESSURE: 3605400 -72.631 -307.401 157.549 -124.128 -110.554 -59.5631 177.669 36.6924 -95.8593 PRESSAVG: 3605400 110.638 11.6013 -17.8327 11.6014 -93.4292 -11.6505 -17.8327 -11.6505 -18.1251 GPRESSAVG: 3605400 111.709 12.1338 -18.505 10.7494 -94.4186 -10.7634 -16.5445 -10.8245 -18.0911 TIMING: 3605400 CPU: 11458.4, 0.00313652/step Wall: 11458.4, 0.00313652/step, 1.21505 hours remaining, 240.039062 MB of memory in use. ENERGY: 3605400 4078.3611 20615.2641 14496.1686 243.3168 -202908.6572 2020.9263 0.0000 0.0000 51971.2264 -109483.3938 298.6794 -161454.6202 -109131.4271 299.5830 -119.8358 -93.0149 762422.5452 -0.3053 -0.2668 PRESSURE: 3605600 -67.7538 1.58777 53.735 1.58795 -79.0964 226.24 53.7349 226.239 -75.9827 GPRESSURE: 3605600 37.9211 -23.7751 -73.7566 43.1676 -34.7346 291.309 76.4252 251.172 -128.813 PRESSAVG: 3605600 23.3632 -17.7604 25.0724 -17.7604 -51.3345 65.0838 25.0723 65.0838 6.02735 GPRESSAVG: 3605600 22.4718 -17.9282 24.1626 -15.9495 -49.2337 65.8728 26.0544 64.5651 4.84414 TIMING: 3605600 CPU: 11459.1, 0.00316994/step Wall: 11459.1, 0.00316994/step, 1.22782 hours remaining, 240.039062 MB of memory in use. ENERGY: 3605600 3995.6927 20590.9694 14474.0527 248.6631 -203434.8526 2485.2661 0.0000 0.0000 52022.1300 -109618.0786 298.9719 -161640.2086 -109254.4186 299.3840 -74.2776 -41.8753 761378.1963 -7.3146 -7.3059 PRESSURE: 3605800 319.5 107.893 24.5995 107.893 49.5795 71.8999 24.5994 71.8989 -114.631 GPRESSURE: 3605800 349.846 146.73 74.2038 111.205 50.9853 14.2664 84.8945 -3.31801 -72.5209 PRESSAVG: 3605800 45.3015 -51.379 24.4639 -51.379 -69.9745 61.871 24.4639 61.871 14.1204 GPRESSAVG: 3605800 45.5196 -50.4013 26.2009 -52.3924 -70.6348 60.9012 23.7298 62.7757 14.1031 TIMING: 3605800 CPU: 11459.7, 0.00314881/step Wall: 11459.7, 0.00314881/step, 1.21946 hours remaining, 240.039062 MB of memory in use. ENERGY: 3605800 3942.0760 20564.3768 14502.8850 255.8225 -203767.5997 2631.0572 0.0000 0.0000 51918.6715 -109952.7106 298.3773 -161871.3821 -109596.7451 298.8255 84.8161 109.4370 759643.9502 -3.5175 -3.6707 PRESSURE: 3606000 -159.248 128.94 99.5862 128.94 -164.575 173.929 99.5859 173.928 132.461 GPRESSURE: 3606000 -164.573 144.629 150.108 79.3139 -126.648 195.317 81.1989 -55.8351 176.152 PRESSAVG: 3606000 62.4415 -23.4364 -22.0085 -23.4364 -27.9554 -31.9853 -22.0085 -31.9854 6.78982 GPRESSAVG: 3606000 62.0198 -27.074 -21.9831 -22.1157 -27.7967 -31.3873 -22.2971 -31.8041 6.82743 TIMING: 3606000 CPU: 11460.3, 0.00316937/step Wall: 11460.3, 0.00316937/step, 1.22725 hours remaining, 240.039062 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: 3606000 3946.5625 20486.0874 14403.9101 247.5491 -203152.8646 2275.7957 0.0000 0.0000 51803.0429 -109989.9169 297.7128 -161792.9598 -109624.5802 298.6287 -63.7871 -38.3563 762151.9849 13.7587 13.6835 PRESSURE: 3606200 386.109 -75.5189 179.177 -75.5178 -420.874 -196.052 179.177 -196.053 32.9259 GPRESSURE: 3606200 397.308 -156.354 142.675 -17.9545 -339.075 -185.915 24.8866 -201.299 20.5043 PRESSAVG: 3606200 24.3493 -18.5175 12.5896 -18.5175 -52.4814 16.6639 12.5896 16.664 -1.61622 GPRESSAVG: 3606200 24.7683 -13.6046 12.5754 -19.9128 -54.1032 17.101 12.9447 16.8206 -0.447346 TIMING: 3606200 CPU: 11461, 0.00314379/step Wall: 11461, 0.00314379/step, 1.21717 hours remaining, 240.039062 MB of memory in use. ENERGY: 3606200 3919.4835 20507.1399 14433.9418 254.5476 -203272.8502 2512.1609 0.0000 0.0000 51686.9223 -109958.6543 297.0455 -161645.5766 -109596.1125 298.3540 -0.6132 26.2461 762003.0549 -9.9161 -9.9274 PRESSURE: 3606400 227.239 131.446 216.929 131.447 105.46 238.629 216.929 238.628 270.451 GPRESSURE: 3606400 107.412 20.2717 258.046 130.685 342.313 212.099 97.448 263.689 250.807 PRESSAVG: 3606400 68.3386 18.3569 -11.5662 18.3569 -72.6637 29.4484 -11.5662 29.4485 -1.8958 GPRESSAVG: 3606400 68.3668 15.7866 -12.4245 19.4866 -71.7828 29.4111 -13.5141 30.9482 -2.02556 TIMING: 3606400 CPU: 11461.6, 0.00313727/step Wall: 11461.6, 0.00313727/step, 1.21447 hours remaining, 240.039062 MB of memory in use. ENERGY: 3606400 3941.2808 20402.1686 14508.2645 235.1649 -203880.4493 2902.6064 0.0000 0.0000 52052.1712 -109838.7929 299.1445 -161890.9642 -109485.2490 298.3810 201.0501 233.5110 757834.4472 -2.0736 -1.8139 PRESSURE: 3606600 -244.068 15.5741 64.9288 15.5743 -326.49 14.2972 64.9292 14.2983 -197.413 GPRESSURE: 3606600 -144.287 -6.92186 64.2704 51.3226 -364.975 28.1004 99.5345 -26.8108 -175.647 PRESSAVG: 3606600 10.9775 42.683 -5.89096 42.6829 22.923 27.8269 -5.89093 27.8268 -25.1148 GPRESSAVG: 3606600 11.5013 44.7897 -5.77139 42.9045 22.7218 28.0884 -5.69934 25.3125 -25.431 TIMING: 3606600 CPU: 11462.2, 0.0031846/step Wall: 11462.2, 0.0031846/step, 1.23262 hours remaining, 240.039062 MB of memory in use. ENERGY: 3606600 3947.7146 20498.0584 14433.5064 224.7653 -202886.1453 2156.8952 0.0000 0.0000 51733.3252 -109891.8802 297.3121 -161625.2053 -109528.3059 297.8879 -255.9905 -228.3027 758947.7157 2.9286 2.9307 PRESSURE: 3606800 -154.764 -100.898 -44.2214 -100.898 -455.724 31.7725 -44.2207 31.7712 -410.497 GPRESSURE: 3606800 -156.105 -156.528 -24.8939 -101.336 -391.97 47.1001 -42.0563 -77.2613 -377.766 PRESSAVG: 3606800 23.1916 5.6976 13.2396 5.69753 -23.9284 -15.3087 13.2396 -15.3086 9.10892 GPRESSAVG: 3606800 21.4323 5.76972 13.2211 5.51228 -22.9595 -15.3342 15.3569 -15.8968 9.72643 TIMING: 3606800 CPU: 11462.9, 0.00317412/step Wall: 11462.9, 0.00317412/step, 1.22838 hours remaining, 240.039062 MB of memory in use. ENERGY: 3606800 4025.8913 20347.3957 14490.7237 250.5074 -202875.9855 2115.5643 0.0000 0.0000 51800.5942 -109845.3090 297.6987 -161645.9032 -109491.5435 298.4258 -340.3282 -308.6136 758334.2423 2.7907 2.7331 PRESSURE: 3607000 -119.628 29.3699 -159.045 29.3691 -147.492 158.1 -159.045 158.099 -56.9187 GPRESSURE: 3607000 -58.8 37.8887 -247.828 77.7074 -50.2682 177.024 -115.519 32.4758 -96.3102 PRESSAVG: 3607000 0.615215 -39.3965 -15.1848 -39.3965 33.0641 58.0843 -15.1849 58.0843 -17.3268 GPRESSAVG: 3607000 2.78973 -39.4607 -15.5211 -41.4954 31.6783 55.208 -15.6873 60.0815 -18.0623 TIMING: 3607000 CPU: 11463.5, 0.00318445/step Wall: 11463.5, 0.00318445/step, 1.23221 hours remaining, 240.039062 MB of memory in use. ENERGY: 3607000 3992.5716 20363.9791 14456.5971 238.0501 -203150.9360 2324.8665 0.0000 0.0000 51820.9887 -109953.8829 297.8159 -161774.8716 -109596.9181 298.7221 -108.0130 -68.4594 758852.5288 5.4509 5.4686 PRESSURE: 3607200 -97.6644 5.20297 -141.194 5.20272 23.7349 249.139 -141.193 249.14 -143.414 GPRESSURE: 3607200 -100.557 -28.7836 -147.874 -49.0658 120.603 294.257 -139.993 360.255 -149.418 PRESSAVG: 3607200 27.3955 -14.4642 -73.8073 -14.4642 -4.1296 51.8169 -73.8073 51.8169 3.33676 GPRESSAVG: 3607200 26.1258 -15.2805 -72.7988 -12.4202 -3.89334 53.2575 -73.7629 53.2355 4.22942 TIMING: 3607200 CPU: 11464.1, 0.00317706/step Wall: 11464.1, 0.00317706/step, 1.22917 hours remaining, 240.039062 MB of memory in use. ENERGY: 3607200 3967.4048 20462.5300 14457.9243 237.5179 -202739.3649 2014.4491 0.0000 0.0000 51689.9634 -109909.5755 297.0629 -161599.5389 -109551.4387 297.9915 -72.4478 -43.1241 759641.3601 8.8676 8.8206 PRESSURE: 3607400 -104.376 222.934 -55.6079 222.934 177.605 108.207 -55.6076 108.208 440.96 GPRESSURE: 3607400 -82.0041 239.709 -78.9716 251.256 222.331 -15.9858 -14.6136 84.1576 451.856 PRESSAVG: 3607400 45.8911 29.1627 -33.8477 29.1627 -51.0443 30.8304 -33.8477 30.8304 1.28218 GPRESSAVG: 3607400 46.7718 29.9463 -33.055 29.4496 -51.8011 32.4366 -33.0716 29.1656 0.651155 TIMING: 3607400 CPU: 11464.8, 0.00318086/step Wall: 11464.8, 0.00318086/step, 1.23046 hours remaining, 240.039062 MB of memory in use. ENERGY: 3607400 3969.1335 20445.9930 14513.4668 270.9100 -203540.3935 2781.1125 0.0000 0.0000 51593.1174 -109966.6603 296.5064 -161559.7777 -109615.5710 297.9082 171.3964 197.3942 759736.1399 -1.2904 -1.4594 PRESSURE: 3607600 367.457 99.1045 65.15 99.1038 56.098 20.1781 65.1506 20.1782 131.167 GPRESSURE: 3607600 306.861 -75.6785 5.17676 131.019 125.648 21.2547 25.4647 116.42 209.716 PRESSAVG: 3607600 54.363 -13.1588 -8.98215 -13.1588 22.8733 11.7408 -8.98209 11.7407 22.5852 GPRESSAVG: 3607600 52.2018 -15.0663 -10.1603 -12.6784 25.5989 10.2256 -7.31641 11.1197 22.1197 TIMING: 3607600 CPU: 11465.4, 0.00318207/step Wall: 11465.4, 0.00318207/step, 1.23075 hours remaining, 240.039062 MB of memory in use. ENERGY: 3607600 3987.4840 20446.8309 14425.0062 242.3905 -203280.6312 2636.7308 0.0000 0.0000 51797.0090 -109745.1798 297.6781 -161542.1888 -109381.2125 298.2521 184.9073 214.0747 760837.3444 33.2738 33.3068 PRESSURE: 3607800 82.4189 -38.594 -213.991 -38.5933 -147.398 -212.046 -213.992 -212.045 -292.286 GPRESSURE: 3607800 130.196 -81.3872 -190.391 48.285 -151.128 -135.7 -187.714 -83.0538 -263.139 PRESSAVG: 3607800 18.9602 -32.7821 -8.02736 -32.782 -18.7437 32.2028 -8.02733 32.2028 14.6839 GPRESSAVG: 3607800 20.634 -31.6374 -7.78188 -33.7199 -20.1538 32.6371 -10.2854 31.7681 14.5923 TIMING: 3607800 CPU: 11466, 0.00316431/step Wall: 11466, 0.00316431/step, 1.22371 hours remaining, 240.039062 MB of memory in use. ENERGY: 3607800 3987.6322 20517.9077 14532.4391 263.1713 -202991.2847 2314.1532 0.0000 0.0000 51875.4530 -109500.5281 298.1289 -161375.9811 -109135.1015 298.4987 -119.0882 -94.6904 761717.3146 4.9668 5.0241 PRESSURE: 3608000 -189.545 -1.84355 -153.165 -1.84371 -203.942 47.5508 -153.165 47.5516 -202.47 GPRESSURE: 3608000 -139.21 -87.3342 -156.418 -38.0561 -178.354 -109.506 -9.0963 33.3023 -182.856 PRESSAVG: 3608000 55.398 -76.7573 -22.7207 -76.7573 -47.881 -39.0746 -22.7207 -39.0745 9.74239 GPRESSAVG: 3608000 55.0056 -75.0923 -22.3186 -78.8708 -48.5522 -40.5778 -23.2027 -36.4728 10.2387 TIMING: 3608000 CPU: 11466.7, 0.00319009/step Wall: 11466.7, 0.00319009/step, 1.2335 hours remaining, 240.039062 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: 3608000 4055.4958 20438.9969 14478.5070 265.5289 -203364.7045 2650.0941 0.0000 0.0000 51811.6809 -109664.4009 297.7624 -161476.0818 -109313.5284 298.7601 -198.6522 -166.8066 760684.2144 5.7531 5.5641 PRESSURE: 3608200 144.048 65.5522 -212.003 65.5529 87.624 48.2196 -212.002 48.2196 421.879 GPRESSURE: 3608200 228.08 -46.3055 -205.677 44.7486 132.005 5.44106 -149.71 66.5842 396.001 PRESSAVG: 3608200 26.0778 -48.3216 -43.4906 -48.3216 -0.633812 9.35615 -43.4906 9.35604 1.08334 GPRESSAVG: 3608200 27.0345 -50.0158 -44.0361 -47.6398 -0.869756 9.29125 -40.7395 7.03202 0.134876 TIMING: 3608200 CPU: 11467.3, 0.00316971/step Wall: 11467.3, 0.00316971/step, 1.22544 hours remaining, 240.039062 MB of memory in use. ENERGY: 3608200 3984.3580 20483.4151 14527.1578 261.3221 -203711.8093 2709.4523 0.0000 0.0000 52045.6223 -109700.4817 299.1069 -161746.1040 -109339.1710 298.8619 217.8503 252.0283 759698.2411 8.8425 8.7666 LDB: ============= START OF LOAD BALANCING ============== 11479.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11479.8 LDB: =============== DONE WITH MIGRATION ================ 11479.8 LDB: ============= START OF LOAD BALANCING ============== 11480.1 LDB: Largest compute 7048 load 0.035293 is 18.1% of average load 0.195234 LDB: Average compute 0.004398 is 2.3% of average load 0.195234 LDB: TIME 11480.1 LOAD: AVG 0.195234 MAX 0.220205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11480.1 LOAD: AVG 0.195234 MAX 0.220205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: TIME 11480.1 LOAD: AVG 0.195234 MAX 0.217842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: ============== END OF LOAD BALANCING =============== 11480.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11480.1 PRESSURE: 3608400 -218.831 -200.9 139.743 -200.9 -38.552 -82.3839 139.743 -82.3838 159.69 GPRESSURE: 3608400 -214.837 -229.412 42.5776 -193.438 91.8517 -92.1221 9.72586 -89.2461 107.889 PRESSAVG: 3608400 -2.90373 -38.7566 -14.756 -38.7566 0.269694 -32.9466 -14.756 -32.9465 9.53693 GPRESSAVG: 3608400 -4.43245 -38.6231 -14.656 -38.759 1.64235 -31.7457 -15.1098 -32.2145 8.96698 TIMING: 3608400 CPU: 11467.9, 0.00322789/step Wall: 11467.9, 0.00322789/step, 1.24776 hours remaining, 240.093750 MB of memory in use. ENERGY: 3608400 3894.8685 20637.4994 14462.6388 256.6056 -203625.4126 2653.1167 0.0000 0.0000 52156.5156 -109564.1680 299.7442 -161720.6836 -109194.1820 299.4331 -32.5643 -5.0320 760238.3562 2.3010 2.0590 PRESSURE: 3608600 343.441 -191.983 108.233 -191.984 46.3316 111.892 108.233 111.893 -70.0183 GPRESSURE: 3608600 338.623 -245.675 120.948 -268.404 39.2532 65.3789 91.4455 105.448 9.56929 PRESSAVG: 3608600 27.8814 -64.8612 -16.1401 -64.8611 9.66328 -1.55528 -16.14 -1.55543 22.6929 GPRESSAVG: 3608600 26.3123 -66.7068 -14.8107 -61.8202 9.41824 -1.8702 -17.9861 -2.81074 23.7942 TIMING: 3608600 CPU: 11468.6, 0.00317904/step Wall: 11468.6, 0.00317904/step, 1.2287 hours remaining, 240.093750 MB of memory in use. ENERGY: 3608600 4028.2201 20584.6627 14501.7496 250.2311 -203192.9844 2287.6997 0.0000 0.0000 52002.2182 -109538.2032 298.8575 -161540.4213 -109179.7244 299.1019 106.5849 129.1484 760882.2285 20.0792 19.8416 PRESSURE: 3608800 -3.30595 38.006 -281.367 38.0066 200.378 192.027 -281.366 192.028 -529.332 GPRESSURE: 3608800 60.4089 67.65 -262.563 6.78359 186.117 73.2961 -219.18 155.604 -498.393 PRESSAVG: 3608800 -2.9258 -1.11256 -78.8806 -1.1126 47.2467 15.87 -78.8807 15.8699 10.184 GPRESSAVG: 3608800 -1.42403 -1.64112 -80.22 -2.66741 45.074 15.4537 -77.1554 16.075 10.5059 TIMING: 3608800 CPU: 11469.2, 0.00316378/step Wall: 11469.2, 0.00316377/step, 1.22262 hours remaining, 240.093750 MB of memory in use. ENERGY: 3608800 4046.6973 20581.6067 14417.7123 228.1503 -203125.7531 2371.4053 0.0000 0.0000 52182.0169 -109298.1643 299.8908 -161480.1812 -108930.6897 299.6746 -110.7531 -83.9556 761873.4294 18.1683 18.0520 PRESSURE: 3609000 -209.648 27.5282 -41.1133 27.5287 -242.084 -199.065 -41.1133 -199.065 -384.737 GPRESSURE: 3609000 -205.093 -22.695 -113.243 -3.99044 -161.708 -195.406 2.19228 -202.226 -394.612 PRESSAVG: 3609000 -10.9579 -43.7 -59.1549 -43.7 -2.27192 5.98982 -59.1549 5.98985 6.72077 GPRESSAVG: 3609000 -9.96388 -40.6466 -58.1425 -45.0127 -2.53472 6.97205 -60.9716 6.03257 5.71768 TIMING: 3609000 CPU: 11469.9, 0.00316753/step Wall: 11469.9, 0.00316753/step, 1.2239 hours remaining, 240.093750 MB of memory in use. ENERGY: 3609000 3926.7746 20546.7476 14457.6631 233.6717 -202586.8422 1946.8516 0.0000 0.0000 52462.4850 -109012.6486 301.5026 -161475.1336 -108637.9837 299.6247 -278.8230 -253.8045 761728.3313 -2.1697 -2.2603 PRESSURE: 3609200 -366.864 -71.4635 -240.904 -71.4645 22.893 194.588 -240.904 194.588 -279.652 GPRESSURE: 3609200 -326.797 -19.4846 -283.185 -130.391 47.7065 94.4997 -221.163 218.518 -264.912 PRESSAVG: 3609200 28.64 -65.9353 -50.0008 -65.9353 -21.171 -16.7019 -50.0008 -16.7018 16.5387 GPRESSAVG: 3609200 26.4622 -66.3316 -50.7 -65.6411 -18.8208 -16.6024 -48.966 -15.2951 16.6012 TIMING: 3609200 CPU: 11470.5, 0.00312931/step Wall: 11470.5, 0.00312931/step, 1.20896 hours remaining, 240.093750 MB of memory in use. ENERGY: 3609200 4010.7291 20693.6518 14445.3683 240.4063 -203175.8181 2410.7584 0.0000 0.0000 52368.0261 -109006.8781 300.9598 -161374.9042 -108646.4521 300.1338 -207.8745 -181.3342 760917.6929 8.0026 8.0809 PRESSURE: 3609400 -137.352 50.0534 103.032 50.0535 -83.6559 -128.035 103.032 -128.036 -46.2505 GPRESSURE: 3609400 -88.6028 0.849205 67.7608 61.6953 -119.838 -45.2253 37.6146 -32.065 21.5866 PRESSAVG: 3609400 42.9459 -19.61 -68.898 -19.61 6.83067 22.6076 -68.898 22.6076 3.13686 GPRESSAVG: 3609400 43.3279 -21.0061 -67.8326 -19.5986 5.78601 21.1437 -70.0396 23.2004 3.46941 TIMING: 3609400 CPU: 11471.1, 0.00313128/step Wall: 11471.1, 0.00313128/step, 1.20954 hours remaining, 240.093750 MB of memory in use. ENERGY: 3609400 4010.5566 20674.9455 14468.4891 262.1974 -203283.1812 2579.5948 0.0000 0.0000 51944.1323 -109343.2655 298.5236 -161287.3978 -109003.3574 299.7144 -89.0862 -62.2849 760916.0867 17.6378 17.5278 PRESSURE: 3609600 -30.4871 -315.263 -57.4296 -315.262 114.217 133.831 -57.4297 133.831 151.981 GPRESSURE: 3609600 -48.0455 -278.231 -100.031 -328.376 219.957 179.421 59.0543 21.9813 156.236 PRESSAVG: 3609600 2.70787 -19.0274 -22.1682 -19.0275 -26.1009 12.5388 -22.1681 12.5387 4.84318 GPRESSAVG: 3609600 3.15578 -18.8562 -24.1897 -17.8875 -27.0385 12.1942 -21.4466 11.7071 4.93295 TIMING: 3609600 CPU: 11471.7, 0.00312267/step Wall: 11471.7, 0.00312267/step, 1.20604 hours remaining, 240.093750 MB of memory in use. ENERGY: 3609600 3912.7732 20498.2710 14427.8194 274.1352 -203086.1960 2515.3203 0.0000 0.0000 52172.8939 -109284.9830 299.8383 -161457.8768 -108926.9527 299.7587 78.5702 109.3824 760834.9485 -6.1833 -6.3166 PRESSURE: 3609800 -301.407 -197.823 319.59 -197.821 -172.913 -45.2241 319.589 -45.2242 -198.126 GPRESSURE: 3609800 -297.649 -172.279 282.478 -228.004 -31.2957 40.4339 395.723 86.4366 -249.889 PRESSAVG: 3609800 6.00466 13.3358 -34.7705 13.3357 53.0173 37.7507 -34.7705 37.7507 -10.3586 GPRESSAVG: 3609800 6.14768 15.9004 -33.3174 11.7818 53.828 39.1162 -35.6708 37.2571 -11.2266 TIMING: 3609800 CPU: 11472.4, 0.00313185/step Wall: 11472.4, 0.00313185/step, 1.20942 hours remaining, 240.093750 MB of memory in use. ENERGY: 3609800 4052.1406 20600.9451 14504.9147 248.8803 -202830.2656 2143.2150 0.0000 0.0000 52007.4573 -109272.7127 298.8876 -161280.1700 -108908.6664 299.9611 -224.1487 -192.9447 760078.6459 16.2211 16.2497 PRESSURE: 3610000 -243.492 -0.906889 -54.9891 -0.907272 -66.9431 -279.119 -54.9896 -279.118 -170.538 GPRESSURE: 3610000 -122.324 73.6178 -47.2609 -92.2426 -90.5156 -256.567 -61.7867 -214.039 -182.714 PRESSAVG: 3610000 11.4339 -6.83489 -16.8916 -6.8348 -10.4549 17.5485 -16.8916 17.5484 3.66453 GPRESSAVG: 3610000 11.4145 -8.88712 -18.2057 -5.6318 -10.7426 16.4774 -14.9148 19.1325 3.92119 TIMING: 3610000 CPU: 11473, 0.00315847/step Wall: 11473, 0.00315847/step, 1.21952 hours remaining, 240.093750 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: 3610000 4051.9298 20686.5442 14500.4039 252.5575 -202813.9648 2264.2818 0.0000 0.0000 51872.8273 -109185.4203 298.1139 -161058.2476 -108827.6833 299.5190 -160.3242 -131.8514 760813.7460 1.5479 1.5310 PRESSURE: 3610200 308.753 -85.7938 -43.4979 -85.7946 75.6483 119.433 -43.4976 119.434 103.351 GPRESSURE: 3610200 310.384 -132.181 -101.79 -45.9079 139.617 180.813 -7.40313 137.261 119.652 PRESSAVG: 3610200 33.2599 10.5169 -22.8393 10.5169 -39.8493 -6.70798 -22.8393 -6.70795 -2.25209 GPRESSAVG: 3610200 32.5968 10.9996 -23.6439 10.3246 -39.128 -6.07755 -24.027 -8.4483 -1.65284 TIMING: 3610200 CPU: 11473.6, 0.00314453/step Wall: 11473.6, 0.00314453/step, 1.21397 hours remaining, 240.093750 MB of memory in use. ENERGY: 3610200 4017.1062 20712.6402 14448.4964 253.2371 -203250.2658 2541.5711 0.0000 0.0000 52041.2019 -109236.0128 299.0815 -161277.2147 -108881.6329 299.4708 162.5843 189.8843 760655.2028 -2.9472 -2.7280 PRESSURE: 3610400 125.071 149.957 214.808 149.958 59.5622 -95.8723 214.809 -95.871 160.718 GPRESSURE: 3610400 224.712 78.8025 195.535 23.0554 29.5821 -189.004 117.998 -114.444 176.206 PRESSAVG: 3610400 56.3189 -47.374 33.3034 -47.374 -31.7783 4.37537 33.3034 4.37533 5.26871 GPRESSAVG: 3610400 56.7023 -48.389 33.5795 -48.6146 -32.2155 2.95725 35.9424 5.66591 5.32646 TIMING: 3610400 CPU: 11474.2, 0.00311721/step Wall: 11474.2, 0.00311721/step, 1.20324 hours remaining, 240.093750 MB of memory in use. ENERGY: 3610400 3960.9145 20509.9768 14464.6990 254.9903 -203181.6699 2475.8655 0.0000 0.0000 52351.4797 -109163.7440 300.8647 -161515.2237 -108792.3643 299.6495 115.1172 143.5000 761233.6929 9.9364 9.9377 PRESSURE: 3610600 72.4967 105.499 -14.7284 105.498 -194.922 11.3803 -14.7276 11.3807 165.129 GPRESSURE: 3610600 74.7928 19.7477 -35.3072 -13.6566 -182.427 -8.63891 -26.2587 8.51838 231.266 PRESSAVG: 3610600 63.4548 -14.5304 48.5988 -14.5305 -30.7782 38.8906 48.5988 38.8906 13.5919 GPRESSAVG: 3610600 63.2797 -15.2697 51.1218 -15.0681 -30.3923 40.0696 45.231 37.3825 13.4252 TIMING: 3610600 CPU: 11474.9, 0.00314493/step Wall: 11474.9, 0.00314493/step, 1.21377 hours remaining, 240.093750 MB of memory in use. ENERGY: 3610600 3865.4698 20677.9678 14467.4583 255.2786 -203009.4694 2420.4333 0.0000 0.0000 52081.0831 -109241.7785 299.3107 -161322.8616 -108880.5663 299.8004 14.2346 41.2106 762638.2481 15.4228 15.4375 PRESSURE: 3610800 -115.016 -116.363 156.863 -116.363 -5.57652 -245.566 156.863 -245.567 -698.71 GPRESSURE: 3610800 -45.3034 67.4326 153.534 -142.605 -49.9412 -175.989 232.735 -186.937 -650.634 PRESSAVG: 3610800 92.5323 8.59981 -46.6821 8.59984 -88.2172 -74.9893 -46.6821 -74.9893 19.7983 GPRESSAVG: 3610800 92.7289 10.6469 -47.7058 8.58326 -89.5212 -76.0579 -46.2932 -74.6703 20.3602 TIMING: 3610800 CPU: 11475.5, 0.00316281/step Wall: 11475.5, 0.00316281/step, 1.22049 hours remaining, 240.093750 MB of memory in use. ENERGY: 3610800 4013.1078 20618.7561 14429.6502 227.5488 -202710.3315 2031.0120 0.0000 0.0000 52203.4432 -109186.8134 300.0139 -161390.2567 -108823.6528 299.6385 -273.1008 -248.6263 761837.7851 8.0378 7.8560 PRESSURE: 3611000 -284.899 164.026 78.3643 164.025 -155.467 -98.7159 78.3645 -98.7156 -196.239 GPRESSURE: 3611000 -272.335 245.134 -2.32351 164.461 -84.8868 -170.804 115.74 -40.1923 -181.753 PRESSAVG: 3611000 0.251685 -12.2627 30.8661 -12.2627 -20.2042 31.0501 30.8661 31.05 -10.2075 GPRESSAVG: 3611000 -0.270588 -13.9226 28.9297 -10.0123 -19.544 32.3231 32.1379 32.698 -10.1661 TIMING: 3611000 CPU: 11476.1, 0.0031551/step Wall: 11476.1, 0.0031551/step, 1.21734 hours remaining, 240.093750 MB of memory in use. ENERGY: 3611000 4043.0987 20470.1810 14498.4019 235.8130 -203317.4707 2599.3173 0.0000 0.0000 52034.1407 -109436.5181 299.0409 -161470.6588 -109077.0355 299.9184 -212.2018 -179.6580 763622.7014 -10.0533 -9.9935 PRESSURE: 3611200 25.3998 115.368 -35.0531 115.368 -13.7919 110.707 -35.0536 110.707 272.681 GPRESSURE: 3611200 55.9815 124.615 52.6844 191.384 23.3758 51.6535 -122.744 63.6232 280.189 PRESSAVG: 3611200 55.5964 -34.0653 21.6906 -34.0653 -101.4 13.2777 21.6906 13.2777 -2.0116 GPRESSAVG: 3611200 57.3081 -34.3496 23.4401 -34.6673 -102.032 13.1592 20.3315 11.3295 -2.81877 TIMING: 3611200 CPU: 11476.8, 0.00317641/step Wall: 11476.8, 0.00317641/step, 1.22539 hours remaining, 240.093750 MB of memory in use. ENERGY: 3611200 3863.2600 20425.3887 14470.6308 226.4591 -202945.8145 2403.0514 0.0000 0.0000 51877.4480 -109679.5764 298.1404 -161557.0244 -109303.1701 298.7226 94.7630 119.8488 763168.5010 -15.9383 -15.8476 PRESSURE: 3611400 -156.774 143.011 102.808 143.012 232.179 6.04808 102.808 6.04786 -213.067 GPRESSURE: 3611400 -115.85 86.599 60.0696 264.523 240.151 -14.9864 144.086 24.1284 -197.077 PRESSAVG: 3611400 14.4964 7.46732 21.7844 7.46725 -31.3706 -31.7776 21.7844 -31.7776 -3.62613 GPRESSAVG: 3611400 12.3972 8.47723 22.6089 7.07856 -31.0488 -30.9667 22.8607 -30.7877 -1.75141 TIMING: 3611400 CPU: 11477.4, 0.00316716/step Wall: 11477.4, 0.00316716/step, 1.22164 hours remaining, 240.093750 MB of memory in use. ENERGY: 3611400 3948.4393 20561.9133 14512.6304 238.4927 -203309.2398 2363.3133 0.0000 0.0000 52162.7565 -109521.6942 299.7801 -161684.4507 -109151.1394 298.3993 -45.8870 -24.2588 763052.2747 -6.8334 -6.8010 PRESSURE: 3611600 -101.57 103.561 -208.758 103.563 -221.585 -205.192 -208.759 -205.193 -359.697 GPRESSURE: 3611600 -9.04063 234.514 -199.063 -13.2906 -206.329 -197.623 -242.686 -240.145 -383.571 PRESSAVG: 3611600 40.6522 -3.39717 -0.408873 -3.39722 -20.5348 30.2503 -0.408868 30.2502 12.965 GPRESSAVG: 3611600 41.7768 -2.52871 -3.08843 -2.80524 -21.0047 29.7009 0.676268 31.4989 12.0024 TIMING: 3611600 CPU: 11478, 0.00315267/step Wall: 11478, 0.00315267/step, 1.21588 hours remaining, 240.093750 MB of memory in use. ENERGY: 3611600 3981.6753 20571.3206 14546.4222 271.9658 -203365.4459 2395.2364 0.0000 0.0000 51895.3723 -109703.4534 298.2434 -161598.8257 -109340.3223 299.0126 -227.6172 -199.6469 761663.2834 11.0275 10.9248 PRESSURE: 3611800 110.145 -196.054 -141.242 -196.054 169.116 248.186 -141.242 248.186 346.706 GPRESSURE: 3611800 106.68 -124.545 -110.712 -222.311 292.611 195.257 -275.432 207.401 315.152 PRESSAVG: 3611800 100.317 30.4691 -7.81885 30.4692 -71.6682 58.5609 -7.81882 58.561 -17.0689 GPRESSAVG: 3611800 100.03 30.2689 -7.61173 29.4094 -69.4467 57.6612 -10.4557 58.9988 -18.5354 TIMING: 3611800 CPU: 11478.7, 0.00316671/step Wall: 11478.7, 0.00316671/step, 1.22112 hours remaining, 240.093750 MB of memory in use. ENERGY: 3611800 3943.0473 20338.7898 14477.2035 239.6982 -203580.3592 2697.5139 0.0000 0.0000 52244.7289 -109639.3776 300.2512 -161884.1066 -109273.4802 299.0651 208.6556 238.1478 761559.9752 3.8600 4.0159 PRESSURE: 3612000 -283.97 -65.1394 -189.78 -65.1392 -65.1194 -122.022 -189.778 -122.021 213.031 GPRESSURE: 3612000 -210.023 -135.767 -133.933 -111.972 -21.3639 -149.315 -86.1991 -36.0173 181.699 PRESSAVG: 3612000 34.4021 -7.16829 26.9348 -7.16825 -64.2403 -16.9981 26.9348 -16.9981 1.81359 GPRESSAVG: 3612000 34.6942 -8.57317 27.206 -6.4703 -65.6631 -17.1413 27.4447 -17.7844 2.98703 TIMING: 3612000 CPU: 11479.3, 0.00316627/step Wall: 11479.3, 0.00316627/step, 1.22077 hours remaining, 240.093750 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: 3612000 3977.8190 20679.0362 14522.4994 258.4304 -203401.3851 2575.8904 0.0000 0.0000 51909.6696 -109478.0402 298.3256 -161387.7098 -109137.0259 298.9172 -45.3527 -16.5625 762349.2923 -9.3415 -9.3273 PRESSURE: 3612200 -13.5773 -353.795 -65.9438 -353.797 -342.479 153.568 -65.9428 153.568 -45.344 GPRESSURE: 3612200 -125.34 -252.763 -25.9314 -356.412 -164.347 167.555 -37.6611 25.6913 -23.5794 PRESSAVG: 3612200 1.15311 -5.96905 -4.11496 -5.96901 -12.4113 38.5263 -4.115 38.5263 17.2853 GPRESSAVG: 3612200 1.37317 -4.62771 -4.6619 -6.56517 -12.5645 40.5276 -0.957671 36.8301 17.6267 TIMING: 3612200 CPU: 11479.9, 0.00314905/step Wall: 11479.9, 0.00314905/step, 1.21396 hours remaining, 240.093750 MB of memory in use. ENERGY: 3612200 3972.4048 20453.3260 14501.8440 262.6780 -202783.1565 2258.7035 0.0000 0.0000 51908.8939 -109425.3063 298.3211 -161334.2002 -109060.1196 299.0028 -133.8002 -104.4219 761758.5161 2.0090 2.1451 LDB: ============= START OF LOAD BALANCING ============== 11492.4 LDB: ============== END OF LOAD BALANCING =============== 11492.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11492.4 LDB: ============= START OF LOAD BALANCING ============== 11492.7 LDB: Largest compute 7048 load 0.036343 is 18.6% of average load 0.195231 LDB: Average compute 0.004390 is 2.2% of average load 0.195231 LDB: TIME 11492.7 LOAD: AVG 0.195231 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 11492.7 LOAD: AVG 0.195231 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.859 MB LDB: TIME 11492.7 LOAD: AVG 0.195231 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.859 MB LDB: ============== END OF LOAD BALANCING =============== 11492.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11492.7 PRESSURE: 3612400 -53.1815 45.3739 122.895 45.3746 -256.587 -224.772 122.895 -224.772 -308.603 GPRESSURE: 3612400 -67.1852 -44.7047 55.8607 68.0875 -224.012 -296.484 57.3253 -114.975 -234.92 PRESSAVG: 3612400 -19.7944 -34.7638 29.7925 -34.7639 2.84391 -5.41813 29.7925 -5.4182 45.5367 GPRESSAVG: 3612400 -19.1945 -36.0074 31.3113 -32.9514 2.57691 -5.98842 25.9466 -6.24461 45.3873 TIMING: 3612400 CPU: 11480.6, 0.00321614/step Wall: 11480.6, 0.00321614/step, 1.23964 hours remaining, 240.605469 MB of memory in use. ENERGY: 3612400 4094.3843 20590.3791 14465.0973 251.6239 -203419.0061 2420.2206 0.0000 0.0000 51987.8560 -109609.4450 298.7749 -161597.3010 -109252.6520 299.1438 -206.1238 -175.3723 761122.3582 9.5287 9.5899 PRESSURE: 3612600 -85.7366 53.4553 -272.024 53.456 -180.28 163.023 -272.023 163.024 -48.7177 GPRESSURE: 3612600 -57.7864 156.354 -180.667 -49.905 -121.534 121.604 -149.796 185.191 -49.6772 PRESSAVG: 3612600 36.3397 31.4933 35.7978 31.4934 -0.155926 47.4571 35.7978 47.457 -30.0351 GPRESSAVG: 3612600 35.5574 33.5534 34.8576 28.5513 0.617097 47.6116 36.0866 50.42 -29.9402 TIMING: 3612600 CPU: 11481.2, 0.00315739/step Wall: 11481.2, 0.00315739/step, 1.21682 hours remaining, 240.605469 MB of memory in use. ENERGY: 3612600 4045.8490 20564.5475 14448.3619 253.1201 -203698.1894 2690.0594 0.0000 0.0000 52127.7900 -109568.4613 299.5791 -161696.2513 -109204.4244 299.5746 -104.9115 -76.3327 760759.4971 2.0496 2.0781 PRESSURE: 3612800 -61.5058 55.1997 151.991 55.1988 37.0258 -73.8193 151.991 -73.8197 205.274 GPRESSURE: 3612800 9.53381 130.745 133.06 76.6666 95.22 22.1728 42.5993 88.7545 159.392 PRESSAVG: 3612800 -22.8035 33.8319 33.6723 33.8319 -10.3911 54.6121 33.6723 54.6121 -9.85851 GPRESSAVG: 3612800 -22.9592 32.1804 35.0471 33.6472 -9.6326 54.3071 34.2878 55.9222 -10.9137 TIMING: 3612800 CPU: 11481.8, 0.00315148/step Wall: 11481.8, 0.00315148/step, 1.21437 hours remaining, 240.605469 MB of memory in use. ENERGY: 3612800 3956.9835 20513.2301 14482.5802 245.2934 -203220.3736 2262.1339 0.0000 0.0000 51896.6174 -109863.5352 298.2506 -161760.1525 -109501.7626 299.0637 60.2645 88.0487 761022.1680 -14.3510 -14.5019 PRESSURE: 3613000 -55.3617 65.812 68.3205 65.8114 109.55 -92.787 68.3199 -92.7871 -198.346 GPRESSURE: 3613000 72.5885 93.2349 10.2522 166.04 -18.497 -95.6183 90.6828 -129.963 -129.68 PRESSAVG: 3613000 -1.61211 -0.224391 -32.1541 -0.224336 4.52117 32.734 -32.1542 32.734 34.8593 GPRESSAVG: 3613000 -0.441575 -1.2178 -32.8868 1.14166 2.0924 31.1734 -31.939 30.9077 36.3047 TIMING: 3613000 CPU: 11482.5, 0.00317024/step Wall: 11482.5, 0.00317024/step, 1.22142 hours remaining, 240.605469 MB of memory in use. ENERGY: 3613000 3916.2946 20651.8953 14433.0853 232.3141 -203236.6544 2257.5071 0.0000 0.0000 51868.1964 -109877.3616 298.0872 -161745.5580 -109519.0869 298.3767 -48.0527 -25.1963 762077.2088 12.5894 12.6518 PRESSURE: 3613200 208.947 -6.53335 82.1025 -6.53278 577.001 76.0364 82.1024 76.0356 508.256 GPRESSURE: 3613200 192.834 -60.8713 111.758 -55.7253 589.485 93.7177 143.773 93.0536 590.086 PRESSAVG: 3613200 -31.2107 24.234 -45.0826 24.234 -9.80943 32.0502 -45.0826 32.0502 -11.3922 GPRESSAVG: 3613200 -31.8124 24.6176 -43.9338 23.4242 -7.78933 30.9563 -45.1498 33.5423 -12.8068 TIMING: 3613200 CPU: 11483.1, 0.00317316/step Wall: 11483.1, 0.00317316/step, 1.22237 hours remaining, 240.605469 MB of memory in use. ENERGY: 3613200 4044.4280 20416.3192 14379.9091 220.3848 -203735.8717 2870.6361 0.0000 0.0000 51892.7288 -109911.4656 298.2282 -161804.1945 -109549.9632 298.0778 431.4016 457.4685 762338.9995 -17.4708 -17.4695 PRESSURE: 3613400 -465.641 68.8496 -9.92258 68.8496 -474.897 255.748 -9.92189 255.748 78.0228 GPRESSURE: 3613400 -428.486 -40.0943 -48.0533 177.503 -345.748 236.691 -61.4358 222.267 23.0054 PRESSAVG: 3613400 34.543 -13.9816 -20.4954 -13.9816 -5.21518 -28.1797 -20.4954 -28.1797 14.6497 GPRESSAVG: 3613400 35.536 -12.6179 -19.8544 -12.8108 -6.64381 -27.0821 -21.7853 -27.243 15.1055 TIMING: 3613400 CPU: 11483.7, 0.00317616/step Wall: 11483.7, 0.00317616/step, 1.22335 hours remaining, 240.605469 MB of memory in use. ENERGY: 3613400 4022.3104 20377.4145 14453.8567 248.7301 -203454.4173 2308.7397 0.0000 0.0000 52097.9065 -109945.4594 299.4074 -162043.3658 -109585.7436 298.7296 -287.5052 -250.4097 760143.2862 14.6592 14.6659 PRESSURE: 3613600 98.4843 -213.405 -98.3353 -213.405 -258.58 232.553 -98.3353 232.553 -51.4158 GPRESSURE: 3613600 125.902 -10.1973 -75.8397 -359.308 -191.034 169.741 -98.1513 87.1343 -50.7375 PRESSAVG: 3613600 8.2166 -7.75183 23.7123 -7.75188 -28.8225 19.3781 23.7123 19.3781 -1.37974 GPRESSAVG: 3613600 7.59611 -6.30452 21.2405 -6.79985 -26.7187 20.9534 23.4066 17.3016 -2.0928 TIMING: 3613600 CPU: 11484.4, 0.00316641/step Wall: 11484.4, 0.00316641/step, 1.21942 hours remaining, 240.605469 MB of memory in use. ENERGY: 3613600 4001.1143 20420.7155 14437.4463 224.8013 -203252.9580 2281.8519 0.0000 0.0000 51877.9571 -110009.0715 298.1433 -161887.0286 -109639.3519 298.1153 -70.5038 -38.6233 760604.4274 -7.3286 -7.0718 PRESSURE: 3613800 429.238 79.6898 101.95 79.6893 39.9236 -166.755 101.95 -166.756 143.896 GPRESSURE: 3613800 440.631 33.1764 110.03 -48.8377 138.886 -108.418 103.234 -201.344 134.719 PRESSAVG: 3613800 26.0131 -54.232 16.2533 -54.232 -44.1517 36.6118 16.2533 36.6117 -8.16052 GPRESSAVG: 3613800 25.1845 -55.3258 16.9002 -54.7614 -44.0782 36.1234 19.4161 38.2387 -6.97834 TIMING: 3613800 CPU: 11485, 0.00316871/step Wall: 11485, 0.00316871/step, 1.22013 hours remaining, 240.605469 MB of memory in use. ENERGY: 3613800 4024.3759 20358.9685 14436.3981 240.3657 -203803.0762 2735.9378 0.0000 0.0000 52092.8248 -109914.2053 299.3782 -162007.0301 -109554.2420 298.3552 204.3525 238.0786 759827.7149 -8.7664 -8.6240 PRESSURE: 3614000 454.947 -97.9328 222.853 -97.9323 -119.359 -68.5619 222.855 -68.5619 219.897 GPRESSURE: 3614000 392.193 -106.603 247.312 -188.023 0.404825 -163.481 169.128 149.14 244.57 PRESSAVG: 3614000 20.8428 2.02824 20.3303 2.02823 26.5169 48.7926 20.3303 48.7925 11.5926 GPRESSAVG: 3614000 21.3627 1.81696 20.8588 1.06083 26.0079 48.2303 18.5603 48.9201 11.308 TIMING: 3614000 CPU: 11485.6, 0.00315879/step Wall: 11485.6, 0.00315879/step, 1.21613 hours remaining, 240.605469 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: 3614000 4000.5924 20409.0698 14479.8548 242.2602 -203526.1993 2579.9357 0.0000 0.0000 52051.1604 -109763.3260 299.1387 -161814.4864 -109395.1216 298.6595 185.1617 212.3895 758921.5196 19.6508 19.5595 PRESSURE: 3614200 -6.83492 28.9243 17.4599 28.9248 -79.7174 -264.552 17.4587 -264.551 -203.133 GPRESSURE: 3614200 -1.1363 99.7999 -11.2984 -46.1189 -85.4866 -328.311 -4.71039 -276.088 -136.789 PRESSAVG: 3614200 -7.71228 3.67674 46.633 3.67666 7.83795 38.6281 46.633 38.6281 -5.43362 GPRESSAVG: 3614200 -8.14352 2.07322 46.0394 3.96815 8.68944 39.2163 45.6819 38.8422 -5.48072 TIMING: 3614200 CPU: 11486.3, 0.00318284/step Wall: 11486.3, 0.00318284/step, 1.22522 hours remaining, 240.605469 MB of memory in use. ENERGY: 3614200 3998.3211 20469.6945 14411.8295 233.9687 -203241.0319 2412.5435 0.0000 0.0000 52013.6685 -109701.0062 298.9233 -161714.6746 -109338.8534 299.4442 -96.5617 -74.4706 760979.5944 -1.7693 -1.6449 PRESSURE: 3614400 165.722 -120.434 62.1315 -120.434 15.7846 30.9863 62.1318 30.985 -194.026 GPRESSURE: 3614400 165.336 -121.652 55.7799 -24.4113 99.3478 -58.3223 -36.1815 23.4052 -210.413 PRESSAVG: 3614400 -1.76702 8.58155 -11.2556 8.58161 -5.74841 -60.8824 -11.2556 -60.8825 19.9488 GPRESSAVG: 3614400 -1.66995 11.2475 -12.7814 7.91963 -6.53695 -61.0371 -10.4261 -60.9324 20.2657 TIMING: 3614400 CPU: 11486.9, 0.00316214/step Wall: 11486.9, 0.00316214/step, 1.21707 hours remaining, 240.605469 MB of memory in use. ENERGY: 3614400 4029.1422 20418.2170 14496.9148 265.0777 -203356.8029 2528.1000 0.0000 0.0000 52023.8832 -109595.4680 298.9820 -161619.3511 -109236.9024 299.6180 -4.1731 18.0902 760364.8494 4.1445 4.0196 PRESSURE: 3614600 -130.79 11.5103 92.5355 11.5104 -119.974 -19.1979 92.5351 -19.1993 321.849 GPRESSURE: 3614600 -101.819 4.38864 34.8874 79.6698 -108.124 -19.3224 160.856 49.8476 363.308 PRESSAVG: 3614600 -9.24903 5.53435 -10.0916 5.53427 -5.58182 20.573 -10.0916 20.573 -5.64569 GPRESSAVG: 3614600 -8.73852 4.09554 -9.62629 6.53424 -5.94367 20.8854 -10.1095 17.1261 -5.94376 TIMING: 3614600 CPU: 11487.5, 0.00318922/step Wall: 11487.5, 0.00318922/step, 1.22732 hours remaining, 240.605469 MB of memory in use. ENERGY: 3614600 4020.3624 20406.5684 14445.1637 243.7279 -203327.0722 2533.1227 0.0000 0.0000 51980.5344 -109697.5928 298.7328 -161678.1272 -109341.7507 299.1007 23.6948 51.1219 760930.1424 -6.8255 -6.8753 PRESSURE: 3614800 -53.8694 -184.172 -53.3702 -184.172 210.172 57.105 -53.3694 57.1049 463.433 GPRESSURE: 3614800 -36.4768 -183.164 -51.8461 -232.095 202.418 54.9347 -1.54076 163.256 535.661 PRESSAVG: 3614800 -35.4123 -5.31713 2.02993 -5.31712 48.9772 -21.9749 2.02999 -21.9748 17.5291 GPRESSAVG: 3614800 -34.924 -5.78458 2.97656 -5.79946 47.8378 -21.8605 1.27973 -18.4608 18.1081 TIMING: 3614800 CPU: 11488.2, 0.00316547/step Wall: 11488.2, 0.00316547/step, 1.218 hours remaining, 240.605469 MB of memory in use. ENERGY: 3614800 3972.7515 20610.1377 14447.1666 250.7701 -203148.6695 2444.2510 0.0000 0.0000 52084.3991 -109339.1936 299.3298 -161423.5927 -108983.9851 299.4171 206.5786 233.8675 759339.4162 10.3647 10.3406 PRESSURE: 3615000 -167.616 155.927 -120.483 155.927 -293.769 -2.29476 -120.482 -2.29491 -136.426 GPRESSURE: 3615000 -144.955 139.641 -68.0553 81.0027 -226.732 64.0918 -188.972 19.9278 -134.176 PRESSAVG: 3615000 -15.9047 5.88807 -27.397 5.8881 -49.3051 -18.6509 -27.3971 -18.6509 -11.6963 GPRESSAVG: 3615000 -16.4272 6.01591 -29.8087 6.01368 -48.1944 -18.6028 -26.714 -18.9706 -12.3365 TIMING: 3615000 CPU: 11488.8, 0.00313566/step Wall: 11488.8, 0.00313567/step, 1.20636 hours remaining, 240.605469 MB of memory in use. ENERGY: 3615000 4024.9481 20493.1443 14547.7114 227.5656 -203081.2904 2464.7157 0.0000 0.0000 51913.9476 -109409.2577 298.3502 -161323.2053 -109047.2034 299.6294 -199.2705 -168.6211 760973.2419 -25.6353 -25.6527 PRESSURE: 3615200 106.56 71.6376 -209.785 71.6372 264.722 48.164 -209.784 48.1646 523.127 GPRESSURE: 3615200 102.458 169.438 -161.517 123.161 312.257 58.2147 -255.502 -6.91686 571.843 PRESSAVG: 3615200 16.1871 6.022 10.0578 6.02202 -18.4466 16.6458 10.0578 16.6458 10.8077 GPRESSAVG: 3615200 16.9722 5.17799 9.9105 5.21844 -19.3078 16.9609 12.5543 14.1691 11.0735 TIMING: 3615200 CPU: 11489.4, 0.0031439/step Wall: 11489.4, 0.0031439/step, 1.20935 hours remaining, 240.605469 MB of memory in use. ENERGY: 3615200 3968.7800 20521.4691 14522.2775 250.6794 -203637.1229 2933.2325 0.0000 0.0000 51937.8200 -109502.8645 298.4874 -161440.6845 -109147.1970 299.5997 298.1366 328.8528 759442.4419 2.8494 2.9126 PRESSURE: 3615400 -276.02 -51.8862 206.113 -51.8864 -417.839 -127.496 206.112 -127.496 -247.694 GPRESSURE: 3615400 -438.313 50.4703 151.387 -6.84199 -200.797 -64.6877 117.27 39.6994 -204.608 PRESSAVG: 3615400 18.7888 -2.0545 29.9911 -2.05457 -56.1393 18.9602 29.991 18.9601 -7.59313 GPRESSAVG: 3615400 17.6254 -2.28717 31.6258 -1.27706 -53.8812 19.2475 27.1677 19.5929 -8.00944 TIMING: 3615400 CPU: 11490.1, 0.00316669/step Wall: 11490.1, 0.00316669/step, 1.21794 hours remaining, 240.605469 MB of memory in use. ENERGY: 3615400 4065.5016 20572.2715 14465.9502 234.5499 -203354.8252 2393.5067 0.0000 0.0000 52181.7761 -109441.2691 299.8894 -161623.0452 -109066.2897 299.3977 -313.8511 -281.2392 759261.0700 -14.9812 -14.7551 PRESSURE: 3615600 -412.638 -9.64518 -130.459 -9.64505 -245.859 138.28 -130.459 138.28 -165.385 GPRESSURE: 3615600 -312.441 100.54 -138.631 -113.777 -218.12 146.53 -30.3174 59.6848 -215.506 PRESSAVG: 3615600 39.5863 34.0987 -10.3184 34.0987 -39.2211 23.4297 -10.3184 23.4297 16.9753 GPRESSAVG: 3615600 40.5505 32.5542 -10.1046 33.1913 -40.1168 23.7091 -8.00009 24.2329 17.4006 TIMING: 3615600 CPU: 11490.7, 0.0031389/step Wall: 11490.7, 0.0031389/step, 1.20708 hours remaining, 240.605469 MB of memory in use. ENERGY: 3615600 3999.6866 20504.6924 14613.3348 255.3708 -203230.6079 2237.9182 0.0000 0.0000 52001.3053 -109618.2998 298.8522 -161619.6051 -109260.0372 299.8244 -274.6272 -248.6890 760368.2577 5.7802 5.9448 PRESSURE: 3615800 57.1333 -38.5416 106.663 -38.541 -85.0791 33.244 106.663 33.2442 176.439 GPRESSURE: 3615800 72.1985 -56.0819 145.63 -97.0952 -38.3658 -11.5175 147.405 -6.77606 190.163 PRESSAVG: 3615800 19.8177 -26.9905 44.9739 -26.9905 -40.3598 -20.2336 44.9738 -20.2336 -8.88321 GPRESSAVG: 3615800 18.7636 -25.2635 44.5595 -28.0662 -40.2088 -21.0961 43.8321 -19.6444 -8.4064 TIMING: 3615800 CPU: 11491.3, 0.00313412/step Wall: 11491.3, 0.00313412/step, 1.20507 hours remaining, 240.605469 MB of memory in use. ENERGY: 3615800 3994.4903 20511.0157 14462.0863 243.9523 -203468.2376 2462.4968 0.0000 0.0000 52226.2611 -109567.9350 300.1450 -161794.1961 -109209.4336 299.4754 49.4977 74.6652 759758.1038 -9.8084 -9.9505 PRESSURE: 3616000 484.177 -119.643 97.5361 -119.642 136.999 196.017 97.5363 196.017 86.4152 GPRESSURE: 3616000 424.337 -141.743 34.58 -127.937 219.022 214.566 247.198 203.678 148.367 PRESSAVG: 3616000 -13.9795 -41.4906 18.1968 -41.4906 -22.6306 -4.96675 18.1968 -4.96684 -18.5752 GPRESSAVG: 3616000 -13.5181 -42.6063 19.6395 -41.1419 -23.6079 -4.23314 17.6381 -4.51302 -18.2933 TIMING: 3616000 CPU: 11491.9, 0.00313331/step Wall: 11491.9, 0.00313331/step, 1.20458 hours remaining, 240.605469 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: 3616000 3967.2771 20480.0370 14506.6727 232.0108 -203743.5205 2841.2750 0.0000 0.0000 52051.9981 -109664.2499 299.1435 -161716.2479 -109297.1403 299.7346 235.8638 263.9090 759709.3435 -18.3951 -18.4731 PRESSURE: 3616200 237.33 -99.3312 -140.594 -99.331 217.135 84.1843 -140.593 84.1853 256.701 GPRESSURE: 3616200 314.264 -125.604 -133.067 -53.4711 303.529 49.6113 -210.141 53.4882 190.035 PRESSAVG: 3616200 -4.59884 -26.7049 -28.7401 -26.7049 -24.9476 46.8299 -28.7401 46.8299 -21.56 GPRESSAVG: 3616200 -3.37355 -25.6377 -30.7692 -26.2815 -25.04 46.795 -28.9501 44.2088 -22.1893 TIMING: 3616200 CPU: 11492.6, 0.00313354/step Wall: 11492.6, 0.00313354/step, 1.2045 hours remaining, 240.605469 MB of memory in use. ENERGY: 3616200 3949.8789 20457.5739 14436.7821 264.3594 -203630.4413 2693.2056 0.0000 0.0000 52251.9302 -109576.7112 300.2926 -161828.6413 -109209.8988 299.7895 237.0554 269.2762 760652.4727 -17.0355 -16.8676 LDB: ============= START OF LOAD BALANCING ============== 11505 LDB: ============== END OF LOAD BALANCING =============== 11505 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11505 LDB: ============= START OF LOAD BALANCING ============== 11505.3 LDB: Largest compute 7047 load 0.032815 is 16.8% of average load 0.195258 LDB: Average compute 0.004385 is 2.2% of average load 0.195258 LDB: TIME 11505.3 LOAD: AVG 0.195258 MAX 0.216222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 11505.3 LOAD: AVG 0.195258 MAX 0.216222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: TIME 11505.3 LOAD: AVG 0.195258 MAX 0.216222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: ============== END OF LOAD BALANCING =============== 11505.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11505.4 PRESSURE: 3616400 -67.8638 153.904 -35.4955 153.905 -563.848 51.3935 -35.4954 51.3945 329.611 GPRESSURE: 3616400 -60.2736 84.1746 13.6505 107.645 -412.898 -10.322 -212.588 96.5626 265.365 PRESSAVG: 3616400 68.4592 -38.1015 3.78784 -38.1014 -24.4742 16.421 3.78784 16.421 -16.3381 GPRESSAVG: 3616400 66.8742 -38.2888 6.94272 -38.2566 -22.8267 18.7541 0.89443 17.6954 -16.723 TIMING: 3616400 CPU: 11493.2, 0.00321445/step Wall: 11493.2, 0.00321445/step, 1.23542 hours remaining, 241.121094 MB of memory in use. ENERGY: 3616400 3947.3383 20595.6021 14412.4156 255.2708 -202827.0312 2002.4030 0.0000 0.0000 52055.0515 -109558.9499 299.1611 -161614.0014 -109193.6003 299.3267 -100.7002 -69.2689 760822.0141 9.2157 9.1082 PRESSURE: 3616600 -85.8602 -194.836 -50.6234 -194.836 216.86 1.79372 -50.6232 1.79493 -29.683 GPRESSURE: 3616600 13.0348 -163.832 -18.4342 -155.729 186.932 -8.15389 -178.784 16.743 -6.41031 PRESSAVG: 3616600 -15.4548 -4.61936 -10.9951 -4.61932 9.54701 -13.2475 -10.9952 -13.2475 -1.33953 GPRESSAVG: 3616600 -14.6296 -3.22009 -13.788 -4.81974 8.12715 -16.8926 -9.3596 -10.0845 -1.46904 TIMING: 3616600 CPU: 11493.8, 0.00313263/step Wall: 11493.8, 0.00313263/step, 1.2038 hours remaining, 241.320312 MB of memory in use. ENERGY: 3616600 3952.7360 20607.8371 14485.8017 249.9145 -203727.3319 2742.3502 0.0000 0.0000 52073.4057 -109615.2866 299.2666 -161688.6923 -109249.6804 299.6407 33.7724 64.5189 760374.7567 -2.4158 -2.6572 PRESSURE: 3616800 -411.588 -125.14 193.408 -125.14 -373.283 -25.7325 193.407 -25.7324 213.187 GPRESSURE: 3616800 -406.986 -68.2201 211.918 -137.46 -331.991 31.0087 118.208 -142.544 249.801 PRESSAVG: 3616800 40.2297 2.83287 -8.30904 2.83285 -59.0359 24.7562 -8.30901 24.7561 25.9694 GPRESSAVG: 3616800 41.2389 0.581504 -7.58847 3.71112 -59.0981 24.5557 -9.87791 23.8345 25.2241 TIMING: 3616800 CPU: 11494.5, 0.00315283/step Wall: 11494.5, 0.00315283/step, 1.21139 hours remaining, 241.320312 MB of memory in use. ENERGY: 3616800 3940.5236 20589.8883 14512.4006 250.7953 -203258.8445 2446.1182 0.0000 0.0000 52214.1313 -109304.9872 300.0753 -161519.1185 -108942.7482 299.8156 -190.5615 -163.0584 761897.2708 2.3877 2.4550 PRESSURE: 3617000 309.367 -156.452 -78.1421 -156.452 -368.424 -66.6187 -78.1425 -66.6176 -145.837 GPRESSURE: 3617000 225.093 -98.283 -75.9513 -93.6075 -276.531 -66.0758 -19.5319 -84.7538 -56.4311 PRESSAVG: 3617000 62.8211 -54.5299 66.2912 -54.5299 -45.2895 21.3427 66.2912 21.3427 13.6053 GPRESSAVG: 3617000 61.8095 -56.9131 66.9699 -54.134 -44.9041 22.5712 68.0724 20.5209 14.0138 TIMING: 3617000 CPU: 11495.1, 0.00317406/step Wall: 11495.1, 0.00317406/step, 1.21937 hours remaining, 241.320312 MB of memory in use. ENERGY: 3617000 3981.4104 20751.4876 14480.8359 246.0140 -203398.5190 2412.0867 0.0000 0.0000 52450.6890 -109075.9954 301.4348 -161526.6844 -108712.3103 300.3768 -68.2981 -35.9565 762089.7003 10.3790 10.3064 PRESSURE: 3617200 37.2052 -111.026 111.113 -111.027 -127.155 177.317 111.113 177.317 240.657 GPRESSURE: 3617200 -53.8112 -98.9431 166.732 50.7182 -61.36 159.121 -7.8803 122.005 348.595 PRESSAVG: 3617200 30.5989 -15.5028 6.72405 -15.5028 -44.1605 30.8808 6.72404 30.8808 -10.5657 GPRESSAVG: 3617200 29.3299 -14.9742 5.47841 -16.1191 -43.0157 31.206 7.1832 28.9532 -9.97469 TIMING: 3617200 CPU: 11495.7, 0.00315918/step Wall: 11495.7, 0.00315918/step, 1.21348 hours remaining, 241.320312 MB of memory in use. ENERGY: 3617200 3995.7514 20461.7732 14580.1540 249.3966 -203455.7791 2625.1730 0.0000 0.0000 52402.7449 -109140.7862 301.1593 -161543.5310 -108783.4590 300.5219 50.2357 77.8081 762572.1900 -8.0424 -7.8868 PRESSURE: 3617400 -9.63478 12.17 128.114 12.1695 -176.194 -191.616 128.115 -191.616 -163.334 GPRESSURE: 3617400 -6.73725 -96.7687 167.117 153.844 -81.4601 -215.879 110.339 -79.9085 -179.843 PRESSAVG: 3617400 -18.6664 6.63459 2.19979 6.63454 -1.71405 -1.62235 2.19989 -1.62238 -8.55867 GPRESSAVG: 3617400 -17.3308 9.46387 1.74044 6.48597 -1.96777 -3.78791 1.2436 1.28611 -9.70492 TIMING: 3617400 CPU: 11496.4, 0.00318614/step Wall: 11496.4, 0.00318614/step, 1.22365 hours remaining, 241.320312 MB of memory in use. ENERGY: 3617400 3988.5799 20552.2169 14459.8750 263.1718 -203544.0867 2673.5032 0.0000 0.0000 52149.4014 -109457.3386 299.7033 -161606.7399 -109098.4610 300.0195 -116.3874 -89.3469 762497.4947 -9.6464 -9.6678 PRESSURE: 3617600 -12.5848 -198.817 -199.046 -198.818 -433.01 -157.283 -199.046 -157.283 155.281 GPRESSURE: 3617600 34.3523 -98.2971 -247.889 -172.536 -462.088 -133.936 -139.667 -75.7799 226.045 PRESSAVG: 3617600 33.324 -4.01088 -17.3334 -4.01086 16.7628 -4.78891 -17.3334 -4.78887 9.5463 GPRESSAVG: 3617600 34.0663 -3.13946 -15.6519 -3.63574 16.4175 -3.27466 -17.5738 -6.30824 9.59734 TIMING: 3617600 CPU: 11497, 0.00317033/step Wall: 11497, 0.00317033/step, 1.21741 hours remaining, 241.320312 MB of memory in use. ENERGY: 3617600 4029.9857 20434.3493 14508.1832 256.5622 -203490.8483 2487.1586 0.0000 0.0000 52414.0807 -109360.5286 301.2244 -161774.6093 -108996.6606 299.9694 -96.7714 -67.2302 761329.2109 19.8777 20.0271 PRESSURE: 3617800 267.565 147.183 225.467 147.183 -76.5285 233.512 225.468 233.511 38.4725 GPRESSURE: 3617800 195.892 99.6111 210.948 150.504 42.09 234.137 100.423 279.36 72.0026 PRESSAVG: 3617800 9.81062 10.2986 -22.6794 10.2985 -29.1918 -6.17802 -22.6794 -6.17803 6.27013 GPRESSAVG: 3617800 7.96458 7.86427 -22.9813 10.7698 -29.0587 -5.82156 -19.6868 -5.99314 7.97511 TIMING: 3617800 CPU: 11497.6, 0.00315724/step Wall: 11497.6, 0.00315724/step, 1.21221 hours remaining, 241.320312 MB of memory in use. ENERGY: 3617800 4023.3772 20607.5500 14552.9857 231.4233 -203710.5850 2721.8744 0.0000 0.0000 52176.5939 -109396.7805 299.8596 -161573.3744 -109026.5590 299.8845 76.5031 103.3282 761507.5551 -4.3703 -4.3730 PRESSURE: 3618000 -42.7965 -92.4794 275.799 -92.4795 -32.8764 104.191 275.798 104.19 -87.3025 GPRESSURE: 3618000 25.9251 -114.745 207.01 -136.332 -71.4094 107.979 152.45 55.4013 -39.2561 PRESSAVG: 3618000 6.37895 44.9417 36.6864 44.9417 -23.9328 -46.1131 36.6864 -46.113 -6.18809 GPRESSAVG: 3618000 6.34086 46.1283 36.9183 43.1574 -23.8294 -45.4546 34.3213 -46.6514 -7.10249 TIMING: 3618000 CPU: 11498.3, 0.00315461/step Wall: 11498.3, 0.00315461/step, 1.21102 hours remaining, 241.320312 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 3947.8470 20735.2536 14502.8133 251.5794 -203277.2817 2269.8152 0.0000 0.0000 52197.1387 -109372.8344 299.9777 -161569.9731 -109013.5900 299.8683 -54.3251 -28.2468 760801.2873 -7.9140 -8.1970 PRESSURE: 3618200 -315.134 145.917 -54.7891 145.918 -9.43548 -295.222 -54.7892 -295.221 46.5078 GPRESSURE: 3618200 -266.872 195.192 3.84856 130.904 32.0452 -279.602 -42.7485 -258.433 21.6566 PRESSAVG: 3618200 -10.0756 -22.9973 12.6204 -22.9973 11.4163 -6.60812 12.6203 -6.60809 26.3147 GPRESSAVG: 3618200 -9.6212 -22.0201 12.6431 -21.5359 10.4061 -6.57654 10.9998 -8.313 26.3663 TIMING: 3618200 CPU: 11498.9, 0.00314738/step Wall: 11498.9, 0.00314738/step, 1.20807 hours remaining, 241.320312 MB of memory in use. ENERGY: 3618200 3994.0029 20534.5644 14514.1875 265.9524 -203775.8327 2740.5384 0.0000 0.0000 52079.4659 -109647.1212 299.3014 -161726.5871 -109281.4116 299.4960 -92.6872 -71.0569 760789.4361 9.2185 9.0504 PRESSURE: 3618400 -498.954 -18.2724 162.086 -18.2733 -340.094 -128.508 162.087 -128.508 -345.661 GPRESSURE: 3618400 -486.396 -85.2112 153.746 51.5859 -317.531 -236.986 236.26 -63.1636 -290.948 PRESSAVG: 3618400 19.8398 -36.518 43.8552 -36.518 -13.8015 -78.0864 43.8552 -78.0864 12.0688 GPRESSAVG: 3618400 20.1709 -39.2807 43.0648 -34.8797 -13.538 -80.351 46.2619 -75.1235 11.2171 TIMING: 3618400 CPU: 11499.5, 0.00315403/step Wall: 11499.5, 0.00315403/step, 1.21045 hours remaining, 241.320312 MB of memory in use. ENERGY: 3618400 3953.8837 20552.8337 14427.9663 270.8657 -203590.1254 2432.2669 0.0000 0.0000 52135.2950 -109817.0141 299.6223 -161952.3091 -109450.4318 298.6351 -394.9032 -364.9585 761472.4116 6.0357 5.9500 PRESSURE: 3618600 -133.385 -109.882 289.684 -109.883 -253.236 193.346 289.685 193.346 -75.3121 GPRESSURE: 3618600 -39.3043 -117.533 260.619 -170.988 -323.19 137.395 280.45 252.156 -8.47237 PRESSAVG: 3618600 16.5024 -33.5411 -5.16652 -33.5411 -8.78025 63.0686 -5.16644 63.0687 4.50187 GPRESSAVG: 3618600 16.5358 -31.2508 -4.02843 -35.4935 -9.62853 63.4071 -6.05003 62.3834 5.13056 TIMING: 3618600 CPU: 11500.2, 0.00315426/step Wall: 11500.2, 0.00315426/step, 1.21036 hours remaining, 241.320312 MB of memory in use. ENERGY: 3618600 3980.5174 20583.6383 14405.4943 234.6231 -203665.2419 2707.2217 0.0000 0.0000 52083.8608 -109669.8864 299.3267 -161753.7472 -109304.7901 299.2052 -153.9775 -123.6557 760859.9154 4.0747 4.0126 PRESSURE: 3618800 474.953 -222.473 -53.3265 -222.473 -161.708 236.058 -53.3267 236.058 366.932 GPRESSURE: 3618800 409.03 -297.243 -101.541 -219.262 -65.2068 205.399 -168.207 205.066 428.156 PRESSAVG: 3618800 -9.72371 -54.1282 -34.0093 -54.1282 -9.63036 13.1259 -34.0093 13.1259 26.1481 GPRESSAVG: 3618800 -10.3392 -55.5588 -34.8687 -52.8547 -9.44439 14.2778 -34.4111 14.4936 26.1646 TIMING: 3618800 CPU: 11500.8, 0.00315894/step Wall: 11500.8, 0.00315894/step, 1.21198 hours remaining, 241.320312 MB of memory in use. ENERGY: 3618800 3895.4901 20481.5308 14533.3885 246.2723 -203848.6223 2734.0783 0.0000 0.0000 52189.6966 -109768.1657 299.9349 -161957.8623 -109405.0396 299.0204 226.7256 257.3264 759642.9492 2.2647 2.1270 PRESSURE: 3619000 -54.9295 -66.4055 -93.6565 -66.4061 -18.4643 22.3423 -93.6562 22.3422 75.2106 GPRESSURE: 3619000 -7.57601 -46.0823 -69.2947 -160.986 7.68065 78.1863 -98.7481 -37.6574 90.3744 PRESSAVG: 3619000 18.5321 -16.1789 34.1591 -16.1789 -0.241361 22.1062 34.1592 22.1062 -14.1853 GPRESSAVG: 3619000 19.6279 -15.9093 33.4915 -18.6517 -0.85257 22.4727 36.912 18.1487 -15.1401 TIMING: 3619000 CPU: 11501.4, 0.00314932/step Wall: 11501.4, 0.00314932/step, 1.20811 hours remaining, 241.320312 MB of memory in use. ENERGY: 3619000 3962.6135 20407.9900 14457.4179 236.9722 -203408.8540 2593.2288 0.0000 0.0000 51882.4229 -109868.2087 298.1690 -161750.6316 -109503.1645 298.9277 0.6056 30.1597 760766.7687 1.3685 1.2117 PRESSURE: 3619200 17.5218 61.4388 109.062 61.4387 139.128 304.676 109.063 304.677 66.9612 GPRESSURE: 3619200 -4.00709 26.7464 32.4329 74.0654 114.04 288.808 124.28 217.921 176.482 PRESSAVG: 3619200 33.5887 -46.8244 -28.0838 -46.8244 5.513 54.6289 -28.0839 54.6289 3.77191 GPRESSAVG: 3619200 32.009 -46.3766 -28.0675 -44.492 6.5843 53.0696 -29.4811 55.984 4.28915 TIMING: 3619200 CPU: 11502.1, 0.0031715/step Wall: 11502.1, 0.0031715/step, 1.21645 hours remaining, 241.320312 MB of memory in use. ENERGY: 3619200 4054.8825 20264.9305 14532.8008 258.5266 -203195.6920 2442.5738 0.0000 0.0000 51901.2696 -109740.7081 298.2773 -161641.9777 -109381.9110 299.2848 74.5370 95.5047 759563.2476 14.2912 14.2941 PRESSURE: 3619400 -154.034 27.8348 72.0965 27.836 287.535 -194.096 72.0973 -194.096 161.505 GPRESSURE: 3619400 -12.896 69.0861 61.9995 -21.4548 214.933 -165.285 128.148 -210.121 159.09 PRESSAVG: 3619400 5.87688 19.6801 -63.8166 19.6801 -2.99103 32.9923 -63.8165 32.9924 -13.3413 GPRESSAVG: 3619400 5.79377 17.8657 -62.7071 20.5859 -3.31289 34.2363 -62.5055 35.777 -13.59 TIMING: 3619400 CPU: 11502.7, 0.00315024/step Wall: 11502.7, 0.00315024/step, 1.20812 hours remaining, 241.320312 MB of memory in use. ENERGY: 3619400 4053.1605 20486.2106 14485.8144 254.8825 -203507.0405 2545.1184 0.0000 0.0000 51857.7896 -109824.0645 298.0274 -161681.8541 -109467.6220 298.6089 98.3357 120.3756 759880.8913 -3.4852 -3.7030 PRESSURE: 3619600 -152.798 -100.251 -417.546 -100.251 43.671 51.3384 -417.546 51.3385 -52.8269 GPRESSURE: 3619600 -54.1314 61.4548 -376.386 -61.2572 -16.6837 84.2047 -316.61 76.4165 0.754717 PRESSAVG: 3619600 21.8313 -33.107 -23.7482 -33.107 -6.21553 4.45811 -23.7482 4.45814 6.8063 GPRESSAVG: 3619600 22.9047 -31.337 -24.1901 -34.0074 -6.74844 3.62309 -24.4245 2.34502 6.20482 TIMING: 3619600 CPU: 11503.3, 0.00313894/step Wall: 11503.3, 0.00313894/step, 1.20361 hours remaining, 241.320312 MB of memory in use. ENERGY: 3619600 4064.3252 20461.0202 14524.1527 235.3485 -203416.6624 2444.3948 0.0000 0.0000 51918.4816 -109768.9394 298.3762 -161687.4210 -109415.9124 299.1364 -53.9847 -23.3535 757763.3405 7.4740 7.4537 PRESSURE: 3619800 -176.799 -78.987 -21.4605 -78.9876 -49.6189 52.0959 -21.4603 52.0962 420.893 GPRESSURE: 3619800 -133.226 -107.2 33.6836 -119.474 43.88 56.0128 -20.0929 -3.23181 391.782 PRESSAVG: 3619800 46.0613 -14.5572 -4.76084 -14.5572 -7.7476 42.4712 -4.76084 42.4712 3.64036 GPRESSAVG: 3619800 45.2994 -13.7892 -4.88282 -15.9177 -7.4992 43.2915 -4.56619 41.1991 4.01842 TIMING: 3619800 CPU: 11503.9, 0.00315898/step Wall: 11503.9, 0.00315898/step, 1.21112 hours remaining, 241.320312 MB of memory in use. ENERGY: 3619800 3986.5570 20499.4995 14420.6422 221.4791 -203592.9584 2553.8496 0.0000 0.0000 52217.3089 -109693.6222 300.0936 -161910.9310 -109334.7137 299.2122 64.8251 100.8121 759578.2477 13.9847 13.9396 PRESSURE: 3620000 -436.978 136.98 -111.03 136.981 -35.0956 -101 -111.031 -101.002 -500.171 GPRESSURE: 3620000 -401.448 51.5304 -116.994 52.8984 -39.1755 -90.9763 -76.0674 -10.0382 -442.959 PRESSAVG: 3620000 22.3812 6.25154 -13.22 6.25161 -5.09901 -20.0736 -13.2199 -20.0738 7.73089 GPRESSAVG: 3620000 23.0297 5.47115 -13.3937 7.20232 -6.6148 -19.7918 -13.7072 -19.1396 8.47905 TIMING: 3620000 CPU: 11504.6, 0.00315464/step Wall: 11504.6, 0.00315464/step, 1.20928 hours remaining, 241.320312 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 3987.6412 20523.8964 14516.7113 251.6116 -203118.0313 2214.1291 0.0000 0.0000 51918.3063 -109705.7354 298.3752 -161624.0416 -109347.5879 299.0487 -324.0817 -294.5274 760134.3492 8.3377 8.2980 PRESSURE: 3620200 -19.8773 -126.66 -10.7098 -126.66 -67.5309 -231.624 -10.7098 -231.626 130.475 GPRESSURE: 3620200 53.6543 -135.45 30.1249 -159.66 -70.2908 -260.879 -118.863 -174.657 139.613 PRESSAVG: 3620200 12.0687 -40.9539 -38.526 -40.954 8.59819 -21.7047 -38.526 -21.7047 29.2777 GPRESSAVG: 3620200 13.3239 -41.1221 -37.7206 -41.7996 8.23568 -22.6296 -38.1518 -19.2841 28.4081 TIMING: 3620200 CPU: 11505.2, 0.00315711/step Wall: 11505.2, 0.00315711/step, 1.21005 hours remaining, 241.320312 MB of memory in use. ENERGY: 3620200 3968.3228 20431.5679 14449.8102 242.5007 -203583.2484 2890.3455 0.0000 0.0000 52137.2402 -109463.4610 299.6334 -161600.7012 -109100.3023 299.1373 14.3558 40.9922 759501.5979 16.6482 16.6559 LDB: ============= START OF LOAD BALANCING ============== 11517.7 LDB: ============== END OF LOAD BALANCING =============== 11517.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11517.7 LDB: ============= START OF LOAD BALANCING ============== 11518 LDB: Largest compute 7048 load 0.035669 is 18.3% of average load 0.195329 LDB: Average compute 0.004375 is 2.2% of average load 0.195329 LDB: TIME 11518 LOAD: AVG 0.195329 MAX 0.215273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 11518 LOAD: AVG 0.195329 MAX 0.215273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 11518 LOAD: AVG 0.195329 MAX 0.215273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 11518 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11518 PRESSURE: 3620400 2.62672 -74.135 -2.65005 -74.1351 -178.19 -230.1 -2.64981 -230.099 540.735 GPRESSURE: 3620400 64.3626 -48.611 -36.0778 5.9059 -184.982 -224.934 -108.84 -101.175 565.423 PRESSAVG: 3620400 34.3652 10.6807 -0.994967 10.6806 -25.9765 16.0161 -0.994961 16.016 -4.17991 GPRESSAVG: 3620400 32.3584 10.4702 -0.942398 12.0629 -24.4357 15.6031 -1.9733 13.9261 -3.50229 TIMING: 3620400 CPU: 11505.9, 0.0032307/step Wall: 11505.9, 0.0032307/step, 1.23808 hours remaining, 240.878906 MB of memory in use. ENERGY: 3620400 4001.2364 20651.1705 14481.6593 244.3430 -203688.7944 2891.8913 0.0000 0.0000 52006.0528 -109412.4411 298.8795 -161418.4939 -109048.3425 299.6791 121.7239 148.2677 760961.9471 1.4029 1.4735 PRESSURE: 3620600 -193.39 184.296 111.076 184.295 -124.339 92.5288 111.075 92.528 -76.755 GPRESSURE: 3620600 -107.502 124.454 2.98869 156.064 -65.7408 92.9879 182.645 148.564 -132.546 PRESSAVG: 3620600 -8.35439 -24.4074 48.149 -24.4074 37.4404 13.4745 48.149 13.4744 -3.72294 GPRESSAVG: 3620600 -8.25945 -22.9116 47.9028 -25.4075 37.525 14.3266 48.384 13.5032 -3.91248 TIMING: 3620600 CPU: 11506.5, 0.00314574/step Wall: 11506.5, 0.00314574/step, 1.20534 hours remaining, 240.878906 MB of memory in use. ENERGY: 3620600 3963.1640 20453.1552 14508.8909 262.3953 -203099.1502 2475.9710 0.0000 0.0000 52234.4065 -109201.1673 300.1919 -161435.5738 -108837.6205 300.5988 -131.4947 -101.9298 762214.6452 8.4544 8.4510 PRESSURE: 3620800 50.3122 33.1697 44.1894 33.1697 100.695 270.316 44.19 270.316 478.135 GPRESSURE: 3620800 144.414 -169.758 43.8671 45.6423 60.8646 244.137 86.8322 243.489 521.82 PRESSAVG: 3620800 11.1461 -8.03549 26.2112 -8.03555 -9.96874 51.8637 26.2112 51.8637 -15.7263 GPRESSAVG: 3620800 10.5522 -9.97643 24.661 -7.81898 -9.3416 50.6982 26.2711 51.274 -15.3711 TIMING: 3620800 CPU: 11507.1, 0.00315997/step Wall: 11507.1, 0.00315997/step, 1.21062 hours remaining, 240.878906 MB of memory in use. ENERGY: 3620800 3982.5007 20568.1109 14469.3087 232.9539 -203382.5645 2687.9362 0.0000 0.0000 51973.7238 -109468.0303 298.6937 -161441.7540 -109105.8910 299.8204 209.7141 242.3662 762346.9776 -4.8497 -4.7202 PRESSURE: 3621000 160.966 -272.806 23.3994 -272.807 -269.898 -238.466 23.3973 -238.466 119.403 GPRESSURE: 3621000 166.212 -288.941 50.7777 -255.912 -212.33 -201.256 -72.9129 -192.544 133.117 PRESSAVG: 3621000 7.74247 -40.8106 39.5421 -40.8106 0.888086 41.9948 39.5421 41.995 7.95154 GPRESSAVG: 3621000 9.00957 -39.9792 39.364 -38.4731 -0.642164 42.773 39.247 41.2039 7.78606 TIMING: 3621000 CPU: 11507.8, 0.0031828/step Wall: 11507.8, 0.00318281/step, 1.21919 hours remaining, 240.878906 MB of memory in use. ENERGY: 3621000 3960.1550 20612.6782 14502.3919 259.9680 -203694.1992 2610.8532 0.0000 0.0000 52173.7926 -109574.3602 299.8435 -161748.1528 -109222.6061 299.7192 3.4900 28.9996 761658.7722 5.5274 5.3845 PRESSURE: 3621200 -95.3677 -12.2935 -5.04416 -12.2936 -540.384 0.693895 -5.04474 0.693061 -341.636 GPRESSURE: 3621200 -184.87 31.7096 11.8397 -77.4443 -369.049 -61.3196 -50.9799 -1.11771 -345.114 PRESSAVG: 3621200 48.9602 -39.9188 46.6387 -39.9188 -42.5811 -33.8001 46.6388 -33.8001 -9.62858 GPRESSAVG: 3621200 48.1239 -40.7507 48.7119 -41.1705 -40.8553 -33.8349 46.8298 -32.9578 -10.3597 TIMING: 3621200 CPU: 11508.4, 0.00316245/step Wall: 11508.4, 0.00316245/step, 1.21122 hours remaining, 240.878906 MB of memory in use. ENERGY: 3621200 3856.3407 20755.8607 14481.6122 254.3227 -203134.4107 2268.2754 0.0000 0.0000 51924.7845 -109593.2144 298.4125 -161517.9990 -109224.9340 299.4429 -325.7961 -299.6776 763156.0315 -1.0832 -1.0303 PRESSURE: 3621400 -96.635 28.391 86.8078 28.3915 -385.497 0.44689 86.8084 0.446838 215.922 GPRESSURE: 3621400 -32.2107 -102.101 -4.68722 -108.939 -392.223 6.27644 91.7328 80.602 251.4 PRESSAVG: 3621400 -2.71687 -44.0918 15.8967 -44.0917 -18.1093 -19.3345 15.8967 -19.3345 -14.6575 GPRESSAVG: 3621400 -2.2821 -44.6551 16.041 -43.7268 -19.6123 -19.1753 15.7059 -16.5094 -14.1468 TIMING: 3621400 CPU: 11509, 0.00315846/step Wall: 11509, 0.00315846/step, 1.20951 hours remaining, 240.878906 MB of memory in use. ENERGY: 3621400 4051.7632 20476.9027 14447.8089 250.4169 -203119.1983 2164.3438 0.0000 0.0000 52156.0736 -109571.8893 299.7417 -161727.9629 -109202.5773 299.0900 -88.7367 -57.6778 762629.7614 -11.8279 -12.0137 PRESSURE: 3621600 302.303 -43.487 20.2741 -43.4876 351.159 202.796 20.2738 202.798 287.105 GPRESSURE: 3621600 408.832 64.9079 0.854609 49.8122 324.598 165.41 1.29729 60.8933 301.665 PRESSAVG: 3621600 -13.2133 -10.2219 8.25206 -10.2219 -37.3493 -19.5732 8.25208 -19.5732 -3.99882 GPRESSAVG: 3621600 -13.0721 -8.62699 8.33307 -9.13748 -37.867 -20.4071 6.57198 -22.2017 -3.50039 TIMING: 3621600 CPU: 11509.7, 0.00318108/step Wall: 11509.7, 0.00318108/step, 1.218 hours remaining, 240.878906 MB of memory in use. ENERGY: 3621600 3972.9208 20530.3973 14390.5444 259.3844 -204175.2032 3102.0666 0.0000 0.0000 52202.0916 -109717.7981 300.0061 -161919.8897 -109348.3238 299.3913 313.5223 345.0316 761495.1835 -18.1871 -18.1465 PRESSURE: 3621800 -135.723 -114.69 -11.2473 -114.69 -351.744 56.2563 -11.2467 56.2564 -263.717 GPRESSURE: 3621800 -42.5749 10.7154 -45.4373 -141.208 -345.924 25.0647 -24.615 88.6415 -256.602 PRESSAVG: 3621800 8.07638 7.84899 13.4629 7.84893 20.6626 -17.1708 13.4629 -17.1708 -1.31945 GPRESSAVG: 3621800 8.7652 9.66263 13.4481 7.16805 22.4891 -17.4393 13.4214 -16.3194 -3.25799 TIMING: 3621800 CPU: 11510.3, 0.0031955/step Wall: 11510.3, 0.0031955/step, 1.22334 hours remaining, 240.878906 MB of memory in use. ENERGY: 3621800 3948.3319 20600.0979 14431.1879 232.3457 -203426.0685 2393.4212 0.0000 0.0000 52006.6755 -109814.0085 298.8831 -161820.6840 -109452.9370 299.1989 -250.3949 -215.0337 762246.9043 9.1398 9.3321 PRESSURE: 3622000 -72.7893 62.2792 89.3584 62.2799 -430.192 -74.6369 89.3583 -74.6362 117.508 GPRESSURE: 3622000 -145.494 -18.5817 82.911 200.306 -267.491 -136.804 59.7603 -96.2919 94.7844 PRESSAVG: 3622000 55.2494 -19.7557 26.4263 -19.7557 -35.2863 -28.3379 26.4263 -28.338 -11.6487 GPRESSAVG: 3622000 54.7143 -22.0699 25.7905 -19.4392 -35.2267 -29.9307 28.8553 -28.1048 -11.4704 TIMING: 3622000 CPU: 11510.9, 0.00318485/step Wall: 11510.9, 0.00318485/step, 1.21909 hours remaining, 240.878906 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: 3622000 4006.6613 20619.8415 14452.3007 258.9273 -203662.7802 2627.3886 0.0000 0.0000 51906.1148 -109791.5461 298.3052 -161697.6608 -109425.9033 298.9689 -128.4911 -106.0668 762187.0496 2.7715 2.6724 PRESSURE: 3622200 161.119 43.7216 -234.737 43.7217 36.9055 -3.31347 -234.737 -3.3137 424.863 GPRESSURE: 3622200 128.667 -16.7417 -155.749 66.0953 86.6138 -3.24892 -136.834 101.108 481.304 PRESSAVG: 3622200 67.0182 13.7851 -22.4836 13.7851 -88.8673 -36.0563 -22.4836 -36.0563 -11.4829 GPRESSAVG: 3622200 67.6198 14.381 -22.004 12.5036 -91.1432 -33.9455 -22.4065 -37.501 -9.72319 TIMING: 3622200 CPU: 11511.6, 0.00317434/step Wall: 11511.6, 0.00317434/step, 1.21489 hours remaining, 240.878906 MB of memory in use. ENERGY: 3622200 4029.2732 20422.9982 14418.8169 230.7872 -203542.7635 2746.6846 0.0000 0.0000 52044.7836 -109649.4197 299.1021 -161694.2033 -109273.5122 298.7260 207.6291 232.1947 762151.8555 -11.1107 -11.0822 PRESSURE: 3622400 31.9781 -154.694 -332.965 -154.695 28.3449 -32.0921 -332.965 -32.0925 96.6326 GPRESSURE: 3622400 70.5315 -151.893 -269.466 -101.441 48.3684 43.9373 -158.668 -123.705 128.387 PRESSAVG: 3622400 34.7623 -63.908 24.3144 -63.908 -12.2063 -48.6751 24.3144 -48.6751 3.43708 GPRESSAVG: 3622400 34.0206 -61.1263 24.086 -64.3316 -10.6556 -45.7354 24.6947 -47.0604 2.60428 TIMING: 3622400 CPU: 11512.2, 0.003197/step Wall: 11512.2, 0.003197/step, 1.22339 hours remaining, 240.878906 MB of memory in use. ENERGY: 3622400 4005.4925 20537.7814 14404.3413 248.0809 -203240.0612 2339.0795 0.0000 0.0000 52323.2398 -109382.0458 300.7024 -161705.2856 -109025.7074 299.2421 52.3185 82.4290 761646.3210 8.6644 8.6564 PRESSURE: 3622600 89.7991 -34.0802 -15.9563 -34.0808 105.676 -60.1507 -15.956 -60.151 -246.797 GPRESSURE: 3622600 124.306 -51.0659 -17.1315 -41.0211 162.168 -48.5368 52.0144 -78.6229 -248.902 PRESSAVG: 3622600 -8.19293 -30.8537 -37.0314 -30.8537 24.3205 -21.8672 -37.0314 -21.8672 -9.65612 GPRESSAVG: 3622600 -7.63317 -33.2372 -38.0584 -31.0162 22.7614 -23.1724 -36.7096 -22.3571 -9.16012 TIMING: 3622600 CPU: 11512.8, 0.00320527/step Wall: 11512.8, 0.00320527/step, 1.22637 hours remaining, 240.878906 MB of memory in use. ENERGY: 3622600 3973.2051 20540.9196 14441.6849 241.3644 -203833.1030 2827.3838 0.0000 0.0000 52489.9014 -109318.6437 301.6602 -161808.5451 -108950.0621 300.2531 -17.1072 12.5239 758213.2496 2.1571 1.9894 PRESSURE: 3622800 -320.839 -157.932 46.1023 -157.932 -300.461 121.448 46.1029 121.448 17.3633 GPRESSURE: 3622800 -284.314 -67.0085 26.6886 -167.996 -255.524 168.778 8.17357 91.9427 14.8957 PRESSAVG: 3622800 81.6791 -71.7721 -45.4277 -71.772 -54.6805 -11.0545 -45.4277 -11.0545 8.69559 GPRESSAVG: 3622800 82.3442 -72.7537 -44.873 -69.099 -53.6295 -13.154 -45.5264 -11.4944 7.69482 TIMING: 3622800 CPU: 11513.5, 0.00319139/step Wall: 11513.5, 0.00319139/step, 1.22088 hours remaining, 240.878906 MB of memory in use. ENERGY: 3622800 3942.7773 20702.2383 14444.6797 243.2507 -203231.1182 2205.0384 0.0000 0.0000 52354.8847 -109338.2490 300.8842 -161693.1338 -108969.0582 300.0831 -201.3123 -174.9810 760579.4542 11.8981 12.1365 PRESSURE: 3623000 127.496 7.47861 259.791 7.4786 320.834 -30.1362 259.791 -30.135 264.645 GPRESSURE: 3623000 163.432 -81.5276 214.878 86.5675 392.977 -8.63548 53.8924 -30.549 252.533 PRESSAVG: 3623000 -17.5036 -57.973 -25.7129 -57.9729 7.03337 -14.2134 -25.7128 -14.2133 -5.26729 GPRESSAVG: 3623000 -16.9522 -58.0299 -27.7537 -59.2769 6.23494 -13.3023 -27.0667 -13.8231 -4.52952 TIMING: 3623000 CPU: 11514.1, 0.00317455/step Wall: 11514.1, 0.00317455/step, 1.21426 hours remaining, 240.878906 MB of memory in use. ENERGY: 3623000 4004.3340 20475.9949 14467.5514 265.3014 -203609.8359 2583.2396 0.0000 0.0000 52281.7134 -109531.7011 300.4637 -161813.4145 -109164.1894 300.5538 237.6583 269.6471 757501.4417 -5.2458 -5.0823 PRESSURE: 3623200 118.526 -178.579 -180.883 -178.58 -158.514 -44.1466 -180.883 -44.1467 -210.694 GPRESSURE: 3623200 133.163 -142.049 -164.648 -95.6837 -128.721 -6.93971 -3.47779 1.95401 -174.145 PRESSAVG: 3623200 -3.13996 -40.873 -2.41395 -40.873 36.7245 -59.7769 -2.41403 -59.7769 12.8188 GPRESSAVG: 3623200 -2.95906 -39.7334 -2.02841 -40.9012 37.2612 -61.0663 -0.461711 -58.7358 11.7192 TIMING: 3623200 CPU: 11514.8, 0.00318339/step Wall: 11514.8, 0.00318339/step, 1.21747 hours remaining, 240.878906 MB of memory in use. ENERGY: 3623200 3957.9613 20527.6176 14560.6946 249.3039 -203469.5820 2395.0386 0.0000 0.0000 52343.5099 -109435.4561 300.8189 -161778.9660 -109064.1946 300.0768 -83.5604 -56.5679 758733.3213 15.4678 15.3405 PRESSURE: 3623400 -357.485 3.75779 -227.617 3.75775 -9.81959 108.156 -227.618 108.157 -140.983 GPRESSURE: 3623400 -306.846 -18.1542 -191.82 -38.8775 -34.2797 42.8214 -42.9684 112.658 -88.1268 PRESSAVG: 3623400 -46.7911 -35.7706 29.1114 -35.7706 81.9366 21.2736 29.1114 21.2735 -0.271224 GPRESSAVG: 3623400 -47.7693 -35.0308 30.116 -36.1135 82.4245 23.8227 28.7231 19.9404 0.491103 TIMING: 3623400 CPU: 11515.4, 0.00320341/step Wall: 11515.4, 0.0032034/step, 1.22495 hours remaining, 240.878906 MB of memory in use. ENERGY: 3623400 4054.8811 20574.8568 14414.2445 243.6876 -203293.6500 2313.0186 0.0000 0.0000 52288.5899 -109404.3715 300.5032 -161692.9615 -109042.5755 300.1014 -169.4293 -143.0841 759676.8298 11.6248 11.7155 PRESSURE: 3623600 -323.293 -165.797 173.858 -165.797 -139.877 -165.562 173.857 -165.562 -258.874 GPRESSURE: 3623600 -203.206 -150.869 105.414 -149.269 -134.828 -215.273 134.05 -142.817 -292.227 PRESSAVG: 3623600 26.7211 -24.8829 -5.18727 -24.8829 59.9985 -26.6535 -5.18727 -26.6535 -16.9286 GPRESSAVG: 3623600 25.8763 -26.3525 -4.38627 -25.2612 60.2565 -28.7502 -6.33412 -26.2022 -16.2414 TIMING: 3623600 CPU: 11516, 0.0032156/step Wall: 11516, 0.0032156/step, 1.22943 hours remaining, 240.878906 MB of memory in use. ENERGY: 3623600 3970.8719 20477.5487 14437.7568 274.8142 -202880.7801 2044.1117 0.0000 0.0000 52441.0928 -109234.5840 301.3797 -161675.6768 -108860.5256 300.8500 -240.6816 -210.0869 761066.2784 23.2637 23.2972 PRESSURE: 3623800 -32.341 152.381 -141.419 152.38 -285.919 -79.3691 -141.419 -79.3685 15.2267 GPRESSURE: 3623800 -116.585 70.472 -100.519 116.341 -152.694 -108.706 -27.5958 -90.0311 51.4736 PRESSAVG: 3623800 -41.9876 -17.6403 1.17207 -17.6403 73.3001 9.69901 1.17214 9.69907 11.3626 GPRESSAVG: 3623800 -39.2622 -18.8257 -0.939562 -15.8841 71.8488 9.59836 2.19596 8.832 10.4083 TIMING: 3623800 CPU: 11516.7, 0.00320346/step Wall: 11516.7, 0.00320346/step, 1.22461 hours remaining, 240.878906 MB of memory in use. ENERGY: 3623800 3998.6889 20644.6147 14442.6251 252.4339 -202961.7835 2265.4631 0.0000 0.0000 52287.1817 -109070.7761 300.4952 -161357.9578 -108714.9568 300.3876 -101.0110 -72.6016 759197.6412 14.2250 14.3316 PRESSURE: 3624000 -24.8908 -142.097 189.996 -142.096 0.242691 -6.85506 189.997 -6.85415 -45.0843 GPRESSURE: 3624000 -38.3104 -112.733 280.615 -77.6744 50.5059 79.4457 187.02 -56.0941 -3.21415 PRESSAVG: 3624000 -3.70811 -23.9298 24.5769 -23.9297 15.8283 -5.69617 24.5769 -5.69624 3.57525 GPRESSAVG: 3624000 -3.43031 -21.7069 25.8744 -25.3777 15.662 -4.35942 25.5711 -5.70517 3.35553 TIMING: 3624000 CPU: 11517.3, 0.00319047/step Wall: 11517.3, 0.00319047/step, 1.21947 hours remaining, 240.878906 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: 3624000 3984.3841 20711.0865 14510.3346 252.8646 -203488.3753 2476.2771 0.0000 0.0000 52142.7588 -109410.6695 299.6652 -161553.4283 -109040.7194 300.6016 -23.2441 2.9938 760148.8033 5.2318 5.1957 PRESSURE: 3624200 -219.909 61.0211 257.462 61.0211 159.096 68.5158 257.463 68.5162 -85.2856 GPRESSURE: 3624200 -146.126 -51.0127 244.212 46.0084 182.07 130.171 96.1182 108.36 -115.499 PRESSAVG: 3624200 16.3113 21.0842 5.69574 21.0842 -16.43 45.8828 5.69572 45.8829 11.7091 GPRESSAVG: 3624200 15.7378 21.6391 5.27548 20.5117 -16.0551 45.5043 6.6371 44.9424 12.3515 TIMING: 3624200 CPU: 11518, 0.00317107/step Wall: 11518, 0.00317107/step, 1.21188 hours remaining, 240.878906 MB of memory in use. ENERGY: 3624200 3997.3294 20552.9245 14489.1430 252.8722 -203650.3279 2605.4842 0.0000 0.0000 52292.0956 -109460.4790 300.5234 -161752.5746 -109090.5091 300.0560 -48.6995 -26.5184 759142.1856 3.8635 4.0114 LDB: ============= START OF LOAD BALANCING ============== 11530.4 LDB: ============== END OF LOAD BALANCING =============== 11530.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11530.4 LDB: ============= START OF LOAD BALANCING ============== 11530.7 LDB: Largest compute 7048 load 0.035882 is 18.4% of average load 0.195341 LDB: Average compute 0.004396 is 2.3% of average load 0.195341 LDB: TIME 11530.7 LOAD: AVG 0.195341 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 11530.7 LOAD: AVG 0.195341 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 11530.7 LOAD: AVG 0.195341 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 11530.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11530.7 PRESSURE: 3624400 -259.53 -50.3568 111.678 -50.3573 -271.567 -14.6698 111.678 -14.669 215.745 GPRESSURE: 3624400 -260.815 -43.3864 65.8622 19.6919 -200.821 -36.013 227.734 1.06286 218.864 PRESSAVG: 3624400 42.6649 -25.3945 21.5413 -25.3945 -0.306495 9.92522 21.5413 9.92521 13.9862 GPRESSAVG: 3624400 42.4087 -25.9768 21.4071 -27.7997 0.134402 6.53984 20.6131 14.8869 13.7343 TIMING: 3624400 CPU: 11518.6, 0.00323366/step Wall: 11518.6, 0.00323366/step, 1.23562 hours remaining, 240.296875 MB of memory in use. ENERGY: 3624400 3998.8783 20492.1314 14485.5501 226.3218 -203354.1739 2390.3858 0.0000 0.0000 52243.1346 -109517.7718 300.2420 -161760.9064 -109144.0657 299.7300 -105.1176 -80.9241 759951.5842 18.7815 18.7591 PRESSURE: 3624600 -131.281 -63.7107 50.3005 -63.7099 -5.86802 73.4053 50.3017 73.4069 -14.978 GPRESSURE: 3624600 -69.6438 -17.7908 88.4457 -124.79 74.696 218.952 42.0451 68.6299 -78.8025 PRESSAVG: 3624600 62.6421 -12.894 -8.14677 -12.8939 -62.7849 4.10502 -8.14674 4.10504 -0.635919 GPRESSAVG: 3624600 62.8167 -13.1121 -9.33273 -11.1101 -62.719 7.77694 -8.77814 1.27297 -0.330278 TIMING: 3624600 CPU: 11519.2, 0.00315715/step Wall: 11519.2, 0.00315715/step, 1.20621 hours remaining, 240.500000 MB of memory in use. ENERGY: 3624600 3982.6099 20708.0146 14503.2986 253.5399 -203532.0559 2598.6776 0.0000 0.0000 52032.4979 -109453.4173 299.0315 -161485.9152 -109094.4252 299.3933 -50.7090 -24.5834 760723.5415 -0.2596 -0.0775 PRESSURE: 3624800 -242.7 -20.0174 -277.208 -20.017 33.8691 -172.053 -277.209 -172.054 125.228 GPRESSURE: 3624800 -154.219 -80.7733 -195.484 128.499 40.0587 -153.622 -312.582 -137.479 112.274 PRESSAVG: 3624800 3.44359 -22.4623 2.64505 -22.4624 8.10856 -9.76887 2.64504 -9.76888 -9.15446 GPRESSAVG: 3624800 3.59126 -21.063 2.8878 -23.0031 8.17812 -10.752 2.78288 -9.52599 -9.4136 TIMING: 3624800 CPU: 11519.9, 0.00316713/step Wall: 11519.9, 0.00316713/step, 1.20984 hours remaining, 240.500000 MB of memory in use. ENERGY: 3624800 3921.9281 20641.4700 14468.9247 243.7168 -202836.7211 2033.5715 0.0000 0.0000 52058.3665 -109468.7436 299.1801 -161527.1101 -109101.2668 299.8002 -27.8677 -0.6289 760128.2780 0.7992 0.7853 PRESSURE: 3625000 -284.56 -136.995 64.3169 -136.994 -146.585 137.038 64.3171 137.039 48.926 GPRESSURE: 3625000 -217.998 -102.014 41.3239 -145.789 -124.709 212.736 47.428 85.4718 52.4983 PRESSAVG: 3625000 39.0054 -25.7566 -83.0386 -25.7566 -3.00576 -9.2845 -83.0386 -9.28444 16.6603 GPRESSAVG: 3625000 39.789 -25.4012 -82.7421 -25.9578 -2.85307 -10.1599 -83.6396 -8.20292 15.9353 TIMING: 3625000 CPU: 11520.5, 0.00315508/step Wall: 11520.5, 0.00315508/step, 1.20507 hours remaining, 240.500000 MB of memory in use. ENERGY: 3625000 3902.2969 20543.9933 14578.8973 255.5269 -203103.7788 2287.1813 0.0000 0.0000 51991.5852 -109544.2979 298.7964 -161535.8831 -109176.8086 299.5582 -127.4061 -96.7363 760303.0864 17.5533 17.6238 PRESSURE: 3625200 56.5092 21.4531 58.5077 21.4535 -430.813 -108.88 58.5083 -108.88 204.653 GPRESSURE: 3625200 47.2731 -22.8138 107.757 114.961 -357.137 -148.24 -86.2583 -22.5268 231.655 PRESSAVG: 3625200 -12.417 -12.7978 -24.4059 -12.7979 -13.9267 -19.9688 -24.4059 -19.9689 -3.97899 GPRESSAVG: 3625200 -11.837 -13.9865 -25.0192 -11.9505 -15.3105 -19.1239 -23.3994 -21.0388 -3.02985 TIMING: 3625200 CPU: 11521.1, 0.00315734/step Wall: 11521.1, 0.00315734/step, 1.20575 hours remaining, 240.500000 MB of memory in use. ENERGY: 3625200 4034.8851 20702.1871 14517.1317 256.1791 -203506.0964 2453.9913 0.0000 0.0000 52036.3318 -109505.3904 299.0535 -161541.7222 -109154.2356 298.9354 -56.5504 -26.0697 759918.1416 -10.1076 -10.0591 PRESSURE: 3625400 -322.52 -28.9541 -213.024 -28.9544 -273.395 -45.2091 -213.024 -45.2101 185.66 GPRESSURE: 3625400 -263.979 60.6236 -201.832 21.4844 -247.892 -48.9397 -148.864 -70.6505 171.9 PRESSAVG: 3625400 45.3188 1.3344 7.09421 1.33439 -24.2177 -8.36359 7.0943 -8.36363 2.85522 GPRESSAVG: 3625400 44.6695 2.30142 8.97845 1.88901 -24.1282 -7.92068 8.31136 -7.8827 3.18087 TIMING: 3625400 CPU: 11521.8, 0.00314621/step Wall: 11521.8, 0.00314621/step, 1.20133 hours remaining, 240.500000 MB of memory in use. ENERGY: 3625400 4046.8807 20502.5334 14499.7314 240.1088 -203617.8855 2538.9104 0.0000 0.0000 52150.5842 -109639.1366 299.7101 -161789.7208 -109268.9115 299.4645 -136.7514 -113.3233 760717.0753 7.9855 7.9074 PRESSURE: 3625600 -28.24 -58.2332 -55.9499 -58.2333 369.123 -22.8176 -55.9508 -22.8173 328.793 GPRESSURE: 3625600 52.0653 58.4344 -76.6696 -11.1439 317.599 7.75235 -14.4827 -58.2144 365.874 PRESSAVG: 3625600 -46.5749 -29.6411 -19.7996 -29.6412 42.2636 -13.2891 -19.7996 -13.2891 8.40178 GPRESSAVG: 3625600 -46.1781 -28.878 -18.9907 -29.6671 42.2447 -13.2364 -20.9715 -12.2748 8.45803 TIMING: 3625600 CPU: 11522.4, 0.00317653/step Wall: 11522.4, 0.00317653/step, 1.21273 hours remaining, 240.500000 MB of memory in use. ENERGY: 3625600 3954.7850 20540.5969 14447.0770 255.5221 -203664.6486 2528.3511 0.0000 0.0000 52070.4227 -109867.8938 299.2494 -161938.3164 -109510.6278 298.9488 223.2252 245.1796 759124.8145 1.3635 1.5082 PRESSURE: 3625800 371.85 -32.9348 -6.88412 -32.9347 -132.435 -95.3978 -6.88388 -95.3977 -62.5465 GPRESSURE: 3625800 355.946 111.667 16.2173 -122.061 39.73 -73.1168 -77.1738 -43.1846 -126.98 PRESSAVG: 3625800 -26.9814 42.3935 24.4091 42.3935 37.1911 -19.2734 24.4091 -19.2734 13.2278 GPRESSAVG: 3625800 -28.1251 42.3393 24.5989 41.3491 38.4431 -19.8779 23.6973 -20.7695 12.863 TIMING: 3625800 CPU: 11523, 0.00318005/step Wall: 11523, 0.00318005/step, 1.2139 hours remaining, 240.500000 MB of memory in use. ENERGY: 3625800 4005.1124 20450.9498 14426.2170 246.0434 -203482.5585 2396.0419 0.0000 0.0000 52106.5230 -109851.6711 299.4569 -161958.1941 -109485.3378 298.7707 58.9561 89.5655 760894.3261 7.8125 7.7270 PRESSURE: 3626000 -6.76117 27.9253 -44.2955 27.9249 -211.651 -180.424 -44.2954 -180.424 -31.4061 GPRESSURE: 3626000 -15.364 -37.0793 -129.328 -63.6741 -99.4064 -205.511 -61.7466 -35.3155 -21.0212 PRESSAVG: 3626000 -10.4385 -11.5755 -7.76629 -11.5754 14.4347 -15.0808 -7.76629 -15.0809 0.783344 GPRESSAVG: 3626000 -10.4427 -11.9321 -7.64047 -12.7367 14.424 -15.257 -8.6209 -13.3988 1.38864 TIMING: 3626000 CPU: 11523.7, 0.00316953/step Wall: 11523.7, 0.00316953/step, 1.2097 hours remaining, 240.500000 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: 3626000 3930.7848 20592.5843 14492.5490 223.6337 -203849.0085 2562.3055 0.0000 0.0000 52320.8081 -109726.3431 300.6884 -162047.1511 -109354.6269 299.5845 -83.2728 -45.2639 760581.0051 1.5932 1.7900 PRESSURE: 3626200 -84.0457 -84.4969 -46.3729 -84.4971 -25.4626 77.1429 -46.3727 77.1424 269.613 GPRESSURE: 3626200 -66.7635 24.2552 1.64458 -179.279 57.2873 11.227 9.41676 -21.7322 237.967 PRESSAVG: 3626200 10.6007 28.096 24.1365 28.096 -11.6105 18.0343 24.1366 18.0343 -11.4371 GPRESSAVG: 3626200 10.9617 26.4855 21.287 27.7442 -11.1469 18.483 23.6884 17.2942 -12.3161 TIMING: 3626200 CPU: 11524.3, 0.00315068/step Wall: 11524.3, 0.00315068/step, 1.20234 hours remaining, 240.500000 MB of memory in use. ENERGY: 3626200 3974.8260 20646.7787 14453.4978 241.7708 -203185.4354 2329.3315 0.0000 0.0000 51853.7317 -109685.4990 298.0041 -161539.2307 -109327.3077 299.4317 53.3683 76.1635 759359.2937 -4.1489 -4.1671 PRESSURE: 3626400 -24.1102 84.7952 -182.294 84.7944 -4.55693 -305.051 -182.294 -305.05 216.497 GPRESSURE: 3626400 5.18227 192.931 -106.827 11.0435 -29.8901 -280.542 -108.736 -316.263 293.042 PRESSAVG: 3626400 -6.85502 -5.60386 -27.6691 -5.60397 33.0397 -49.7528 -27.6691 -49.7528 -12.6033 GPRESSAVG: 3626400 -7.66328 -4.22788 -25.642 -4.47661 32.6096 -50.4242 -26.8772 -48.5918 -11.5146 TIMING: 3626400 CPU: 11524.9, 0.00315338/step Wall: 11524.9, 0.00315338/step, 1.20319 hours remaining, 240.500000 MB of memory in use. ENERGY: 3626400 3954.9606 20543.3172 14477.9111 239.3916 -203330.7556 2400.5092 0.0000 0.0000 52132.4852 -109582.1807 299.6061 -161714.6659 -109222.5442 299.6576 62.6099 89.4448 760502.0168 4.5271 4.4772 PRESSURE: 3626600 -114.475 72.4 51.7387 72.3991 -50.4442 19.4822 51.739 19.4826 -437.897 GPRESSURE: 3626600 -81.4944 79.2982 28.3882 58.2912 -8.91237 -3.3778 101.929 -3.79871 -442.642 PRESSAVG: 3626600 -7.8328 34.9582 -14.0193 34.9582 37.7421 0.707301 -14.0192 0.707361 -28.3985 GPRESSAVG: 3626600 -7.87957 34.7858 -15.628 33.4884 37.8315 2.62467 -14.1221 -1.2185 -28.2694 TIMING: 3626600 CPU: 11525.6, 0.00313905/step Wall: 11525.6, 0.00313905/step, 1.19755 hours remaining, 240.500000 MB of memory in use. ENERGY: 3626600 3930.5140 20656.7543 14493.1227 243.8774 -203039.7309 2045.0601 0.0000 0.0000 52076.2589 -109594.1436 299.2830 -161670.4025 -109248.6163 299.3624 -200.9387 -177.6828 759751.3806 0.5036 0.5608 PRESSURE: 3626800 -125.12 91.5924 -269.12 91.5923 -164.958 56.7576 -269.119 56.7581 -168.135 GPRESSURE: 3626800 -44.3594 136.15 -208.742 122.989 -65.699 48.7152 -301.533 -25.0108 -270.961 PRESSAVG: 3626800 -28.994 -2.2438 10.3555 -2.24383 23.0259 21.2575 10.3555 21.2575 6.8062 GPRESSAVG: 3626800 -28.7387 -1.61947 11.294 -1.06332 24.1518 19.2446 11.038 22.7421 5.62226 TIMING: 3626800 CPU: 11526.2, 0.00317457/step Wall: 11526.2, 0.00317457/step, 1.21092 hours remaining, 240.500000 MB of memory in use. ENERGY: 3626800 4053.9164 20484.4808 14484.9449 237.7038 -203302.2162 2297.2271 0.0000 0.0000 52090.2404 -109653.7027 299.3633 -161743.9431 -109295.5980 299.6276 -152.7379 -127.0065 760083.1672 0.2794 0.3451 PRESSURE: 3627000 -14.6006 41.7703 98.6206 41.7702 281.308 -169.552 98.6201 -169.552 155.822 GPRESSURE: 3627000 140.448 -36.2425 16.4655 -11.064 235.302 -116.659 88.7867 -238.72 143.512 PRESSAVG: 3627000 49.6388 74.1116 -31.503 74.1116 -28.7408 -3.54963 -31.503 -3.54963 21.9723 GPRESSAVG: 3627000 50.5871 74.6424 -29.3003 74.4417 -30.767 -2.45726 -31.8313 -6.70674 23.4239 TIMING: 3627000 CPU: 11526.8, 0.00314567/step Wall: 11526.8, 0.00314567/step, 1.19972 hours remaining, 240.500000 MB of memory in use. ENERGY: 3627000 3949.4176 20456.4086 14385.5996 266.3436 -203360.7505 2454.1346 0.0000 0.0000 52271.0266 -109577.8200 300.4023 -161848.8466 -109215.3674 299.7656 140.8432 173.0873 759478.3809 14.2901 14.4147 PRESSURE: 3627200 138.588 124.7 -32.635 124.7 -151.613 273.742 -32.635 273.742 -144.233 GPRESSURE: 3627200 71.1737 92.6811 -14.7708 92.255 -31.7223 324.816 -18.2895 229.346 -115.848 PRESSAVG: 3627200 30.7234 -27.2169 -23.8382 -27.217 -58.0034 55.0389 -23.8382 55.039 6.89795 GPRESSAVG: 3627200 30.672 -28.5763 -26.8997 -28.1169 -58.719 56.4318 -22.9122 55.3929 7.76032 TIMING: 3627200 CPU: 11527.4, 0.00315574/step Wall: 11527.4, 0.00315574/step, 1.20339 hours remaining, 240.500000 MB of memory in use. ENERGY: 3627200 3978.1071 20469.6047 14476.9353 254.4073 -203214.1095 2569.1442 0.0000 0.0000 51766.6073 -109699.3036 297.5034 -161465.9109 -109339.5220 298.8386 -52.4193 -25.4655 760897.5349 -6.7940 -6.7622 PRESSURE: 3627400 -22.313 -81.1971 420.964 -81.1968 -211.712 20.0478 420.964 20.0485 -290.952 GPRESSURE: 3627400 9.72889 -97.8129 413.97 3.69862 -241.043 -5.86286 265.029 -7.38584 -193.627 PRESSAVG: 3627400 -10.1339 -29.0677 7.03461 -29.0677 21.1007 87.3013 7.03464 87.3013 3.35245 GPRESSAVG: 3627400 -9.77674 -27.8547 8.43127 -28.5168 22.1224 86.7367 5.5054 86.7897 2.0694 TIMING: 3627400 CPU: 11528.1, 0.00315555/step Wall: 11528.1, 0.00315555/step, 1.20314 hours remaining, 240.500000 MB of memory in use. ENERGY: 3627400 3963.0973 20497.2575 14467.0134 252.5556 -203295.1528 2376.6244 0.0000 0.0000 52034.6235 -109703.9811 299.0437 -161738.6046 -109343.1406 299.0547 -174.9923 -141.6469 760768.7790 4.7731 4.8050 PRESSURE: 3627600 -130.396 -94.3098 -41.5385 -94.311 45.704 -78.5236 -41.5388 -78.524 -375.208 GPRESSURE: 3627600 -124.111 -48.7905 -84.1948 -14.022 93.8342 -109.759 -17.4328 -43.4622 -332.277 PRESSAVG: 3627600 0.358302 -15.1561 -20.5118 -15.1561 -29.7169 44.4818 -20.5118 44.4819 -4.41129 GPRESSAVG: 3627600 1.00179 -17.3975 -21.0006 -14.0066 -29.1619 44.869 -20.6957 45.4284 -5.30468 TIMING: 3627600 CPU: 11528.7, 0.00319304/step Wall: 11528.7, 0.00319304/step, 1.21726 hours remaining, 240.500000 MB of memory in use. ENERGY: 3627600 3956.5862 20531.5963 14371.8850 250.1529 -203291.1982 2355.9823 0.0000 0.0000 52060.2829 -109764.7127 299.1912 -161824.9956 -109401.7033 298.3752 -153.3001 -120.8514 761040.9524 -11.2566 -11.1549 PRESSURE: 3627800 72.2899 65.9063 206.548 65.9059 175.917 -15.1382 206.548 -15.139 495.203 GPRESSURE: 3627800 140.855 37.0809 140.055 157.709 164.646 12.1157 102.116 -85.5948 513.411 PRESSAVG: 3627800 5.4503 -14.5554 52.5884 -14.5555 19.4484 22.6779 52.5883 22.678 -7.22126 GPRESSAVG: 3627800 5.27359 -14.841 52.7382 -16.9634 17.9549 20.6349 50.0338 23.572 -5.42891 TIMING: 3627800 CPU: 11529.3, 0.00316527/step Wall: 11529.3, 0.00316527/step, 1.20649 hours remaining, 240.500000 MB of memory in use. ENERGY: 3627800 3925.2629 20560.9358 14510.7500 246.8977 -203208.3382 2313.8440 0.0000 0.0000 52034.4601 -109616.1876 299.0428 -161650.6477 -109251.6321 299.4841 247.8033 272.9707 759552.9637 5.8925 5.9332 PRESSURE: 3628000 38.5773 197.338 67.1182 197.339 -413.804 -210.783 67.1178 -210.784 -359.495 GPRESSURE: 3628000 18.3863 175.366 185.561 288.315 -356.941 -165.67 29.3332 -140.989 -337.776 PRESSAVG: 3628000 16.4213 0.34653 4.8596 0.346502 -35.27 -11.755 4.85961 -11.7551 9.19879 GPRESSAVG: 3628000 16.719 1.55129 3.7356 0.946104 -34.6341 -10.1493 8.34641 -13.8858 8.19421 TIMING: 3628000 CPU: 11530, 0.00318635/step Wall: 11530, 0.00318635/step, 1.21435 hours remaining, 240.500000 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: 3628000 4070.4199 20631.7324 14436.3488 238.1381 -203281.2885 2351.7036 0.0000 0.0000 52002.3984 -109550.5473 298.8585 -161552.9457 -109197.9901 299.1617 -244.9071 -225.4436 761055.6059 -3.2166 -3.2403 PRESSURE: 3628200 39.294 1.23075 -22.4213 1.231 -65.4932 158.399 -22.4225 158.399 -417.045 GPRESSURE: 3628200 34.3549 -11.7816 -19.9898 -74.4168 -5.1574 200.484 -33.4704 154.993 -390.924 PRESSAVG: 3628200 -10.1281 -20.1741 1.51145 -20.1741 4.92096 -25.9871 1.51146 -25.9871 0.539753 GPRESSAVG: 3628200 -10.6156 -19.9266 2.00191 -18.6187 4.97458 -25.6584 1.01429 -25.5808 0.87286 TIMING: 3628200 CPU: 11530.6, 0.0031744/step Wall: 11530.6, 0.0031744/step, 1.20962 hours remaining, 240.500000 MB of memory in use. ENERGY: 3628200 4024.7324 20370.2947 14421.8888 240.4181 -203345.4491 2487.7565 0.0000 0.0000 52234.3106 -109566.0480 300.1913 -161800.3586 -109200.8927 299.6987 -147.7480 -120.5754 760413.6412 -1.5558 -1.5894 LDB: ============= START OF LOAD BALANCING ============== 11543.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11543.1 LDB: =============== DONE WITH MIGRATION ================ 11543.1 LDB: ============= START OF LOAD BALANCING ============== 11543.4 LDB: Largest compute 7048 load 0.033986 is 17.4% of average load 0.195272 LDB: Average compute 0.004392 is 2.2% of average load 0.195272 LDB: TIME 11543.4 LOAD: AVG 0.195272 MAX 0.214043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 11543.4 LOAD: AVG 0.195272 MAX 0.214043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 11543.4 LOAD: AVG 0.195272 MAX 0.214043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 11543.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11543.4 PRESSURE: 3628400 -363.509 72.5094 96.768 72.5094 -63.723 119.515 96.7679 119.513 -228.49 GPRESSURE: 3628400 -288.576 18.4369 44.7474 72.2731 -83.0788 149.403 33.744 162.768 -174.331 PRESSAVG: 3628400 8.74677 26.366 22.6726 26.366 -10.3416 70.6566 22.6725 70.6565 -1.56001 GPRESSAVG: 3628400 7.84415 26.3973 23.2821 24.5651 -9.86164 70.9384 22.8404 71.975 -1.02574 TIMING: 3628400 CPU: 11531.3, 0.00323076/step Wall: 11531.3, 0.00323076/step, 1.23092 hours remaining, 239.324219 MB of memory in use. ENERGY: 3628400 3985.8332 20536.7604 14461.1307 243.8535 -203446.5913 2366.6999 0.0000 0.0000 52064.0122 -109788.3014 299.2126 -161852.3136 -109413.3758 299.5821 -218.5740 -181.9954 760867.3692 -1.0516 -1.0144 PRESSURE: 3628600 -332.812 -21.2629 286.319 -21.262 -566.4 -72.7745 286.319 -72.7735 -208.784 GPRESSURE: 3628600 -245.811 -107.939 386.452 -5.23941 -588.148 -15.9443 201.444 -171.041 -174.234 PRESSAVG: 3628600 46.5811 -52.874 -27.2168 -52.874 -24.0276 41.5482 -27.2168 41.5482 7.2402 GPRESSAVG: 3628600 46.2613 -53.5236 -26.7237 -51.9187 -23.7969 40.9551 -29.0724 40.6354 7.27551 TIMING: 3628600 CPU: 11531.9, 0.00316567/step Wall: 11531.9, 0.00316567/step, 1.20594 hours remaining, 239.324219 MB of memory in use. ENERGY: 3628600 3982.8952 20532.7143 14396.1801 235.5065 -202719.0949 1920.0136 0.0000 0.0000 51838.4299 -109813.3553 297.9162 -161651.7852 -109460.3369 298.8980 -369.3322 -336.0646 760884.0172 9.9313 9.9133 PRESSURE: 3628800 -290.142 25.42 240.434 25.4194 -321.988 63.3027 240.433 63.3022 -187.831 GPRESSURE: 3628800 -279.601 116.15 209.746 26.875 -272.549 74.047 275.679 -107.302 -158.383 PRESSAVG: 3628800 7.2631 -18.3212 5.80312 -18.3212 -57.0159 -6.89406 5.80308 -6.89401 -2.34602 GPRESSAVG: 3628800 8.34699 -17.3918 6.84535 -19.7167 -56.9866 -6.76824 5.31434 -7.34853 -3.16215 TIMING: 3628800 CPU: 11532.5, 0.00316488/step Wall: 11532.5, 0.00316488/step, 1.20547 hours remaining, 239.324219 MB of memory in use. ENERGY: 3628800 4016.5584 20483.6754 14470.9774 255.8808 -203374.2869 2276.4451 0.0000 0.0000 52004.0471 -109866.7028 298.8680 -161870.7500 -109506.4922 298.8050 -266.6537 -236.8445 761619.7985 -17.3663 -17.2673 PRESSURE: 3629000 82.4594 -44.2242 -208.418 -44.2236 -353.121 -61.5237 -208.418 -61.5247 -135.582 GPRESSURE: 3629000 20.6923 27.6709 -198.248 14.6677 -275.016 2.78272 -139.847 -15.3385 -87.7643 PRESSAVG: 3629000 -8.82075 32.5238 9.28036 32.5238 41.5076 18.7284 9.28037 18.7284 -0.70831 GPRESSAVG: 3629000 -8.6766 32.0448 7.92851 34.6092 41.3579 18.4164 11.4656 19.5007 -0.66416 TIMING: 3629000 CPU: 11533.2, 0.00318292/step Wall: 11533.2, 0.00318292/step, 1.21216 hours remaining, 239.324219 MB of memory in use. ENERGY: 3629000 4061.5485 20364.0898 14431.4005 258.7606 -203331.2056 2517.2635 0.0000 0.0000 52003.8945 -109694.2482 298.8671 -161698.1427 -109329.2704 298.7465 -135.4145 -114.0292 760797.0357 10.6595 10.6724 PRESSURE: 3629200 -182.878 -236.836 151.629 -236.836 -166.107 24.1583 151.628 24.1583 150.661 GPRESSURE: 3629200 -175.029 -139.304 82.519 -130.011 -157.29 23.9252 144.362 25.375 216.475 PRESSAVG: 3629200 -42.6817 -25.2265 32.6581 -25.2265 8.17807 -28.6223 32.658 -28.6223 -12.4066 GPRESSAVG: 3629200 -41.3657 -25.6288 32.5531 -25.7011 7.97262 -29.7184 32.0239 -29.2198 -12.722 TIMING: 3629200 CPU: 11533.8, 0.00318919/step Wall: 11533.8, 0.00318919/step, 1.21437 hours remaining, 239.324219 MB of memory in use. ENERGY: 3629200 3882.1884 20635.7251 14560.7867 233.6036 -203149.7999 2177.9393 0.0000 0.0000 51894.2774 -109765.2794 298.2371 -161659.5568 -109411.1245 299.3154 -66.1078 -38.6146 761368.1581 -15.6367 -15.3717 PRESSURE: 3629400 -327.344 211.7 24.5639 211.701 -125.433 -55.402 24.564 -55.4022 84.5202 GPRESSURE: 3629400 -222.487 159.921 -58.625 217.569 -184.209 -114.685 105.887 -17.3593 116.497 PRESSAVG: 3629400 7.95692 -21.0243 15.6653 -21.0243 -5.62409 3.99435 15.6653 3.99437 -0.893518 GPRESSAVG: 3629400 8.17729 -18.4038 15.149 -21.5839 -5.90559 5.58071 16.1262 1.87074 -0.617041 TIMING: 3629400 CPU: 11534.4, 0.00315172/step Wall: 11534.4, 0.00315172/step, 1.19993 hours remaining, 239.324219 MB of memory in use. ENERGY: 3629400 3915.1100 20572.6671 14488.1777 236.9909 -203192.1142 2297.5229 0.0000 0.0000 51856.6891 -109824.9565 298.0211 -161681.6456 -109467.8002 299.3303 -122.7521 -96.7331 762914.2963 0.4798 0.5516 PRESSURE: 3629600 -223.834 14.9933 -209.855 14.9935 -90.8323 193.674 -209.855 193.675 -350.147 GPRESSURE: 3629600 -141.872 46.1744 -187.505 -87.7868 -186.447 163.071 -65.1044 161.286 -244.36 PRESSAVG: 3629600 -35.6446 6.53841 25.5129 6.53841 7.75274 -26.0227 25.5129 -26.0227 -16.0832 GPRESSAVG: 3629600 -35.6794 3.44706 27.3734 7.58786 8.10711 -25.714 24.5262 -23.6899 -16.1902 TIMING: 3629600 CPU: 11535.1, 0.00315185/step Wall: 11535.1, 0.00315185/step, 1.1998 hours remaining, 239.324219 MB of memory in use. ENERGY: 3629600 4030.5146 20428.7478 14472.4874 255.8780 -203091.8157 2246.5653 0.0000 0.0000 51768.7760 -109888.8466 297.5159 -161657.6226 -109540.6701 298.8130 -221.6044 -190.8929 761423.6113 -14.6584 -14.5875 PRESSURE: 3629800 -40.3017 84.4247 42.8119 84.4248 -249.823 -100.029 42.8124 -100.029 -285.036 GPRESSURE: 3629800 -98.262 146.176 23.9433 19.0011 -163.794 -72.718 -6.56324 -135.969 -224.797 PRESSAVG: 3629800 -45.0614 21.5571 -37.5437 21.5571 60.1922 25.9626 -37.5436 25.9626 -24.6497 GPRESSAVG: 3629800 -46.3281 23.9938 -38.7161 21.49 60.8322 26.955 -35.9148 25.5457 -24.0553 TIMING: 3629800 CPU: 11535.7, 0.00315165/step Wall: 11535.7, 0.00315165/step, 1.19955 hours remaining, 239.324219 MB of memory in use. ENERGY: 3629800 3841.7366 20312.9539 14524.0549 229.7692 -203208.1634 2485.2194 0.0000 0.0000 51983.6573 -109830.7721 298.7508 -161814.4294 -109458.5327 298.7037 -191.7203 -162.2845 761343.9682 -3.1729 -3.1837 PRESSURE: 3630000 -73.3486 87.2561 145.023 87.2559 -33.849 221.945 145.024 221.946 33.8973 GPRESSURE: 3630000 28.3438 128.851 172.955 3.14067 -51.192 165.096 85.5189 121.907 46.1896 PRESSAVG: 3630000 18.679 -4.84477 14.5038 -4.84477 26.8045 35.7739 14.5038 35.774 -9.51044 GPRESSAVG: 3630000 20.1787 -5.0237 14.8273 -4.73983 25.904 34.6207 13.5845 35.5273 -10.1 TIMING: 3630000 CPU: 11536.3, 0.00317438/step Wall: 11536.3, 0.00317438/step, 1.20803 hours remaining, 239.324219 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: 3630000 3947.0635 20493.2227 14527.9686 259.2663 -203425.2216 2357.4439 0.0000 0.0000 52137.0545 -109703.2023 299.6324 -161840.2567 -109337.5531 298.8126 -24.4334 7.7805 758837.4934 11.9910 11.9942 PRESSURE: 3630200 -175.609 -169.311 200.668 -169.312 -14.7281 -94.61 200.668 -94.6111 -224.116 GPRESSURE: 3630200 -160.196 -102.054 242.367 -83.2187 -55.9154 -106.883 97.7946 -5.26052 -108.119 PRESSAVG: 3630200 34.4279 -22.9511 -5.0614 -22.9511 30.1522 47.1132 -5.06136 47.1132 6.81771 GPRESSAVG: 3630200 34.3021 -24.158 -6.52283 -21.8358 29.8571 47.2495 -6.96092 46.8895 7.36712 TIMING: 3630200 CPU: 11537, 0.00317435/step Wall: 11537, 0.00317435/step, 1.20784 hours remaining, 239.324219 MB of memory in use. ENERGY: 3630200 3928.2912 20537.3431 14537.6264 251.3979 -203261.8473 2223.4032 0.0000 0.0000 52060.7286 -109723.0569 299.1937 -161783.7855 -109367.6460 298.7175 -138.1512 -108.0770 758616.2381 23.7993 23.8421 PRESSURE: 3630400 -185.95 -80.6834 18.1588 -80.6843 -377.615 105.824 18.159 105.824 13.5483 GPRESSURE: 3630400 -118.46 -16.1629 44.1131 -206.179 -308.256 39.8258 71.4863 153.284 -32.8266 PRESSAVG: 3630400 41.9356 -7.45911 -8.1192 -7.45907 -21.6042 -10.2283 -8.11919 -10.2282 -11.0407 GPRESSAVG: 3630400 41.6802 -5.44551 -6.72496 -8.93461 -20.1267 -10.6338 -7.43606 -9.10856 -12.2073 TIMING: 3630400 CPU: 11537.6, 0.00316792/step Wall: 11537.6, 0.00316792/step, 1.20522 hours remaining, 239.324219 MB of memory in use. ENERGY: 3630400 3917.7626 20471.6510 14426.4686 242.2655 -203094.1297 2026.9547 0.0000 0.0000 52147.2873 -109861.7401 299.6912 -162009.0274 -109498.4895 298.7646 -183.3389 -153.1807 760138.6781 3.0969 3.1154 PRESSURE: 3630600 -30.9571 -214.722 209.252 -214.721 -155.076 38.855 209.252 38.8561 -89.3541 GPRESSURE: 3630600 -7.80396 -201.178 294.972 -129.772 -112.649 93.1507 -10.8602 59.3391 -64.6758 PRESSAVG: 3630600 -36.7359 -101.975 25.1585 -101.975 -1.07742 36.8224 25.1584 36.8225 5.36781 GPRESSAVG: 3630600 -37.7475 -103.797 24.1841 -100.754 -2.17659 34.5179 26.3858 34.7451 7.71851 TIMING: 3630600 CPU: 11538.2, 0.00318268/step Wall: 11538.2, 0.00318268/step, 1.21066 hours remaining, 239.324219 MB of memory in use. ENERGY: 3630600 3972.7741 20458.1780 14475.7927 231.9643 -203672.9848 2734.9924 0.0000 0.0000 51912.8826 -109886.4007 298.3441 -161799.2834 -109532.8591 298.2667 -91.7957 -61.7096 758824.9869 -10.8152 -10.7352 PRESSURE: 3630800 -157.442 -188.598 -57.0576 -188.598 108.002 -79.0921 -57.0575 -79.0917 -35.9422 GPRESSURE: 3630800 -126.143 -183.706 -43.0086 -81.3041 91.1025 36.5726 -115.512 -49.282 35.4231 PRESSAVG: 3630800 22.0345 -84.2645 12.7668 -84.2645 -31.0689 -9.87846 12.7668 -9.87847 10.667 GPRESSAVG: 3630800 23.1852 -81.6131 12.7435 -87.0416 -30.8705 -5.81831 12.0287 -7.98174 8.79312 TIMING: 3630800 CPU: 11538.9, 0.00319185/step Wall: 11538.9, 0.00319185/step, 1.21397 hours remaining, 239.324219 MB of memory in use. ENERGY: 3630800 4021.7871 20401.7964 14449.4265 250.9322 -203521.1370 2547.1888 0.0000 0.0000 52005.0019 -109845.0042 298.8735 -161850.0060 -109474.5653 298.7636 -28.4607 0.1276 760294.5874 0.5442 0.3692 PRESSURE: 3631000 257.269 161.476 59.9802 161.476 336.232 18.908 59.9803 18.9078 13.8744 GPRESSURE: 3631000 286.566 163.403 -55.9803 98.5049 383.308 -5.5411 81.4449 -13.4466 5.95894 PRESSAVG: 3631000 11.1099 -35.1364 14.8422 -35.1364 11.264 94.3655 14.8421 94.3656 -4.12663 GPRESSAVG: 3631000 10.5957 -37.5623 15.3582 -34.4105 11.2099 90.5825 15.3164 96.7626 -3.8655 TIMING: 3631000 CPU: 11539.5, 0.00317145/step Wall: 11539.5, 0.00317145/step, 1.20603 hours remaining, 239.324219 MB of memory in use. ENERGY: 3631000 3900.1367 20413.0184 14430.9122 239.1805 -203394.3285 2571.0354 0.0000 0.0000 52094.8951 -109745.1503 299.3901 -161840.0454 -109385.7819 298.9279 202.4585 225.2778 760105.7137 6.0824 5.9801 PRESSURE: 3631200 65.9651 45.3724 -87.4965 45.3732 158.083 15.4542 -87.4961 15.4545 213.696 GPRESSURE: 3631200 180.807 29.6807 -111.277 13.4722 64.1418 42.7969 -2.13054 -107.787 275.722 PRESSAVG: 3631200 -14.566 27.2487 -28.4592 27.2488 19.2772 38.8254 -28.4592 38.8254 -3.68069 GPRESSAVG: 3631200 -15.8783 28.2845 -28.3197 27.7962 19.215 41.4772 -26.7092 35.9628 -2.86154 TIMING: 3631200 CPU: 11540.2, 0.00320073/step Wall: 11540.2, 0.00320073/step, 1.21699 hours remaining, 239.324219 MB of memory in use. ENERGY: 3631200 4006.8085 20412.3662 14424.7715 247.9778 -203360.4961 2724.5539 0.0000 0.0000 51779.0601 -109764.9581 297.5750 -161544.0183 -109405.7374 299.1938 145.9147 173.5570 759897.9981 0.3435 0.1584 PRESSURE: 3631400 212.484 -85.6287 -65.6192 -85.628 17.8649 44.1539 -65.6195 44.154 60.572 GPRESSURE: 3631400 243.368 -59.6582 -55.9539 -171.276 58.9935 -39.6805 -72.981 141.36 77.4489 PRESSAVG: 3631400 20.0517 37.1739 -30.2931 37.1739 13.3108 23.1489 -30.2931 23.1488 2.47778 GPRESSAVG: 3631400 20.1938 35.3705 -30.6118 38.0153 12.5637 22.3483 -31.6745 25.503 2.55981 TIMING: 3631400 CPU: 11540.8, 0.00318045/step Wall: 11540.8, 0.00318045/step, 1.2091 hours remaining, 239.324219 MB of memory in use. ENERGY: 3631400 3894.9679 20424.4469 14470.5078 238.6923 -202996.5726 2276.1278 0.0000 0.0000 51766.1206 -109925.7092 297.5006 -161691.8298 -109569.6855 298.3379 96.9736 126.6035 760172.2543 11.9468 11.7724 PRESSURE: 3631600 -173.756 -72.8734 -50.8855 -72.874 9.99483 -98.6584 -50.8858 -98.6582 -122.29 GPRESSURE: 3631600 -78.8421 -103.422 -30.7624 -105.37 55.012 -48.8552 50.242 -198.957 -177.838 PRESSAVG: 3631600 -13.9901 19.4979 -23.9439 19.4979 -5.56077 10.7001 -23.9439 10.7003 -10.3917 GPRESSAVG: 3631600 -12.6614 19.8231 -23.8806 20.7277 -5.24846 11.3251 -21.6717 8.07089 -11.6781 TIMING: 3631600 CPU: 11541.4, 0.00321179/step Wall: 11541.4, 0.00321179/step, 1.22084 hours remaining, 239.324219 MB of memory in use. ENERGY: 3631600 3877.7562 20407.3010 14526.4863 248.4290 -203271.3901 2344.4509 0.0000 0.0000 52053.5042 -109813.4625 299.1522 -161866.9667 -109457.4251 298.2042 -95.3506 -67.2226 760332.7458 -9.9809 -9.8627 PRESSURE: 3631800 -198.344 -30.4569 -18.3557 -30.4564 -263.497 73.1165 -18.3561 73.1162 19.9092 GPRESSURE: 3631800 -299.637 -2.77818 37.9514 -33.3255 -162.692 3.42493 -27.3692 212.783 111.195 PRESSAVG: 3631800 21.9754 -42.8903 -15.8387 -42.8903 39.154 39.0628 -15.8388 39.0629 -3.15863 GPRESSAVG: 3631800 20.7463 -43.1886 -15.1876 -42.9728 39.6305 40.473 -18.1999 40.1267 -1.81971 TIMING: 3631800 CPU: 11542.1, 0.00319974/step Wall: 11542.1, 0.00319975/step, 1.21608 hours remaining, 239.324219 MB of memory in use. ENERGY: 3631800 3894.2406 20522.8557 14433.1672 286.1728 -203891.6210 2713.1889 0.0000 0.0000 52215.8127 -109826.1831 300.0850 -162041.9958 -109448.3355 298.3214 -147.3107 -117.0446 762152.0520 19.3236 19.5190 PRESSURE: 3632000 -146.661 53.4979 -81.8938 53.4989 235.931 158.72 -81.8944 158.718 -103.351 GPRESSURE: 3632000 -67.6954 54.4672 -100.22 53.6046 235.277 217.208 42.5891 237.949 -102.55 PRESSAVG: 3632000 -44.6825 -0.19475 25.2347 -0.194771 51.33 44.0592 25.2347 44.0591 -6.15061 GPRESSAVG: 3632000 -44.3074 3.55368 25.676 -2.08027 52.0618 43.1023 25.1488 43.4497 -7.56497 TIMING: 3632000 CPU: 11542.7, 0.0031644/step Wall: 11542.7, 0.0031644/step, 1.20247 hours remaining, 239.324219 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: 3632000 3935.2105 20567.3332 14409.3843 238.1692 -203495.1447 2429.2031 0.0000 0.0000 52115.6429 -109800.2014 299.5093 -161915.8443 -109442.8588 299.0217 -4.6935 21.6770 761424.0341 0.1656 0.0631 PRESSURE: 3632200 3.39455 -111.341 -359.863 -111.341 553.341 76.538 -359.863 76.5368 358.106 GPRESSURE: 3632200 157.875 -54.731 -373.342 -192.034 467.493 58.2469 -336.381 33.2355 362.339 PRESSAVG: 3632200 -43.9042 -17.6646 -11.2771 -17.6646 30.5688 45.9717 -11.2771 45.9716 -12.6175 GPRESSAVG: 3632200 -42.6123 -21.3794 -11.1411 -17.2665 29.3152 46.4116 -11.0837 45.9467 -12.2109 TIMING: 3632200 CPU: 11543.3, 0.00316587/step Wall: 11543.3, 0.00316587/step, 1.20285 hours remaining, 239.324219 MB of memory in use. ENERGY: 3632200 3918.5929 20576.9037 14478.5509 256.0384 -203966.7697 2852.8458 0.0000 0.0000 52027.6390 -109856.1989 299.0036 -161883.8379 -109501.5702 299.0485 304.9471 329.2355 759681.4576 -8.6510 -8.5027 LDB: ============= START OF LOAD BALANCING ============== 11555.8 LDB: ============== END OF LOAD BALANCING =============== 11555.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11555.8 LDB: ============= START OF LOAD BALANCING ============== 11556.1 LDB: Largest compute 7048 load 0.037349 is 19.1% of average load 0.195257 LDB: Average compute 0.004397 is 2.3% of average load 0.195257 LDB: TIME 11556.1 LOAD: AVG 0.195257 MAX 0.215291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.891 MB LDB: TIME 11556.1 LOAD: AVG 0.195257 MAX 0.215291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.961 MB LDB: TIME 11556.1 LOAD: AVG 0.195257 MAX 0.215291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.961 MB LDB: ============== END OF LOAD BALANCING =============== 11556.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11556.1 PRESSURE: 3632400 -164.894 7.25942 103.045 7.25936 82.6507 -134.188 103.045 -134.187 188.311 GPRESSURE: 3632400 -64.7017 32.4696 -0.76563 106.628 75.4141 -175.918 138.058 -92.7905 180.062 PRESSAVG: 3632400 -82.3434 -4.38509 37.8367 -4.38501 50.6599 40.4639 37.8367 40.4639 21.7376 GPRESSAVG: 3632400 -82.7641 -0.788234 35.8489 -4.14597 50.7062 39.0399 36.521 40.8371 22.1601 TIMING: 3632400 CPU: 11544, 0.0032342/step Wall: 11544, 0.0032342/step, 1.22864 hours remaining, 242.152344 MB of memory in use. ENERGY: 3632400 3963.4954 20311.4423 14443.6677 245.6920 -204017.3930 2737.4474 0.0000 0.0000 52160.8438 -110154.8042 299.7691 -162315.6481 -109783.6157 298.9440 35.3559 63.5915 758882.1349 -3.3153 -3.2993 PRESSURE: 3632600 -16.2888 5.21667 120.213 5.21718 -109.423 -171.732 120.214 -171.731 189.221 GPRESSURE: 3632600 102.618 83.1059 90.5735 32.2152 -27.0073 -150.856 116.009 -220.022 67.9054 PRESSAVG: 3632600 -25.3569 -6.24462 22.6192 -6.24461 64.0692 18.9199 22.6193 18.9199 17.0734 GPRESSAVG: 3632600 -25.3445 -8.72166 25.5055 -4.62981 65.0382 20.087 22.4733 18.0768 16.2637 TIMING: 3632600 CPU: 11544.6, 0.00313293/step Wall: 11544.6, 0.00313293/step, 1.18999 hours remaining, 242.152344 MB of memory in use. ENERGY: 3632600 3983.6204 20370.5963 14421.1651 230.5181 -203510.4557 2383.4566 0.0000 0.0000 52036.6556 -110084.4436 299.0554 -162121.0993 -109726.1745 298.7123 21.1700 47.8387 759880.8621 18.5952 18.6525 PRESSURE: 3632800 -83.9067 -202.826 -140.464 -202.826 -214.692 -82.4068 -140.465 -82.4075 -303.692 GPRESSURE: 3632800 -102.985 -203.902 -226.033 -164.452 -187.856 -50.5981 -12.743 -114.849 -204.877 PRESSAVG: 3632800 32.4045 -12.6497 29.6127 -12.6496 -33.8805 6.69251 29.6127 6.69247 13.654 GPRESSAVG: 3632800 32.3533 -9.08339 27.4935 -12.9504 -34.0933 5.94654 32.609 6.60984 14.2545 TIMING: 3632800 CPU: 11545.2, 0.0031308/step Wall: 11545.2, 0.0031308/step, 1.18901 hours remaining, 242.152344 MB of memory in use. ENERGY: 3632800 4010.3704 20385.2513 14475.8403 244.9190 -203623.0188 2637.8692 0.0000 0.0000 52130.5504 -109738.2181 299.5950 -161868.7685 -109375.1146 298.4759 -200.7634 -165.2394 761114.0042 4.0593 4.1715 PRESSURE: 3633000 36.4918 109.449 114.696 109.45 13.3104 145.18 114.697 145.181 -197.632 GPRESSURE: 3633000 59.0005 62.5587 235.416 73.9167 25.6157 216.143 36.3972 126.395 -135.038 PRESSAVG: 3633000 -14.5099 -36.7705 50.1052 -36.7705 4.98131 58.8314 50.1052 58.8315 -4.59597 GPRESSAVG: 3633000 -14.3711 -39.2785 51.1466 -37.7147 5.65361 57.7642 47.7044 61.8075 -5.08696 TIMING: 3633000 CPU: 11545.9, 0.00314407/step Wall: 11545.9, 0.00314407/step, 1.19387 hours remaining, 242.152344 MB of memory in use. ENERGY: 3633000 4022.4694 20464.2582 14508.9958 242.0817 -203231.9074 2306.4530 0.0000 0.0000 51811.1196 -109876.5297 297.7592 -161687.6493 -109524.8188 298.9399 -49.2765 -16.8074 760976.7645 -4.7082 -4.6015 PRESSURE: 3633200 -127.906 251.707 -47.0775 251.707 -28.7566 -151.285 -47.0775 -151.284 -244.515 GPRESSURE: 3633200 -24.3895 242.901 -88.5929 290.544 -70.7515 -192.674 144.912 -119.813 -205.964 PRESSAVG: 3633200 -56.7497 -6.27529 35.4351 -6.27532 59.8039 16.9199 35.4351 16.92 19.819 GPRESSAVG: 3633200 -56.7138 -4.80449 34.341 -8.11947 59.7451 18.3487 37.7589 14.5415 19.8972 TIMING: 3633200 CPU: 11546.5, 0.00315408/step Wall: 11546.5, 0.00315408/step, 1.1975 hours remaining, 242.152344 MB of memory in use. ENERGY: 3633200 4056.0859 20542.5466 14440.3262 263.1763 -203670.3613 2646.5994 0.0000 0.0000 52045.5315 -109676.0954 299.1064 -161721.6269 -109319.1800 299.0826 -133.7261 -100.3682 758824.5229 7.6244 7.6428 PRESSURE: 3633400 -60.5649 353.164 96.8286 353.165 -299.578 111.888 96.8289 111.888 -302.529 GPRESSURE: 3633400 -141.407 254.192 49.6257 355.368 -294.707 219.031 140.248 -0.442541 -152.367 PRESSAVG: 3633400 6.21858 -4.95221 75.1231 -4.95224 27.7935 -31.3587 75.1232 -31.3587 -28.7203 GPRESSAVG: 3633400 5.88109 -6.79737 74.6184 -2.23415 28.0439 -29.6458 73.4247 -31.6557 -28.7938 TIMING: 3633400 CPU: 11547.1, 0.00313597/step Wall: 11547.1, 0.00313597/step, 1.19045 hours remaining, 242.152344 MB of memory in use. ENERGY: 3633400 4000.7619 20421.6472 14590.9039 240.4138 -203525.8049 2418.7486 0.0000 0.0000 52162.4916 -109690.8379 299.7786 -161853.3295 -109329.1512 299.2024 -220.8909 -196.1606 760725.3572 1.7639 1.7104 PRESSURE: 3633600 -220.773 -51.7751 102.96 -51.7749 -50.4083 84.4007 102.961 84.4008 -16.4655 GPRESSURE: 3633600 -150.563 -173.389 15.1471 -155.271 30.0432 132.816 41.3014 100.945 -77.1055 PRESSAVG: 3633600 13.5392 -0.129173 -18.3752 -0.129193 -5.59763 21.355 -18.3752 21.3549 -4.33926 GPRESSAVG: 3633600 12.9259 -1.62592 -18.1514 -1.5628 -5.5226 18.3443 -17.4917 22.5301 -4.14786 TIMING: 3633600 CPU: 11547.8, 0.0031428/step Wall: 11547.8, 0.0031428/step, 1.19287 hours remaining, 242.152344 MB of memory in use. ENERGY: 3633600 4034.6524 20340.9420 14408.4431 262.3996 -203476.2052 2701.6096 0.0000 0.0000 51937.2676 -109790.8909 298.4842 -161728.1585 -109429.7693 299.0738 -95.8823 -65.8749 760625.6907 1.2008 1.0852 PRESSURE: 3633800 -13.4163 -123.111 -28.687 -123.112 -1.95878 18.7695 -28.6875 18.7699 -2.95491 GPRESSURE: 3633800 65.9412 -192.428 -46.1171 3.96405 -35.8685 -50.7908 68.5189 99.4975 35.2665 PRESSAVG: 3633800 -33.6144 0.616684 -34.8454 0.616638 20.1904 13.8381 -34.8454 13.838 15.2785 GPRESSAVG: 3633800 -33.3623 2.68388 -34.784 1.51929 19.8512 14.1282 -34.0002 13.7835 15.0962 TIMING: 3633800 CPU: 11548.4, 0.00317788/step Wall: 11548.4, 0.00317788/step, 1.20601 hours remaining, 242.152344 MB of memory in use. ENERGY: 3633800 4014.2737 20490.9002 14428.7547 237.1980 -203351.2555 2409.5017 0.0000 0.0000 51977.9340 -109792.6933 298.7179 -161770.6273 -109430.3897 298.7908 -6.1100 21.7797 760159.0541 0.6181 0.5283 PRESSURE: 3634000 97.9582 -2.15412 -239.046 -2.15462 -226.679 -49.9451 -239.047 -49.9453 67.5411 GPRESSURE: 3634000 102.158 -24.7504 -303.051 -112.11 -185.417 -104.376 -105.216 -78.0384 99.8078 PRESSAVG: 3634000 22.4367 -26.8646 -0.103887 -26.8646 -1.92673 22.6843 -0.103849 22.6843 0.744212 GPRESSAVG: 3634000 22.5019 -27.8043 2.7783 -27.9253 -2.68134 23.0422 -3.82893 21.6339 1.03331 TIMING: 3634000 CPU: 11549, 0.00317576/step Wall: 11549, 0.00317576/step, 1.20503 hours remaining, 242.152344 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: 3634000 3961.5570 20376.3624 14425.0545 235.8304 -202783.4991 2198.5215 0.0000 0.0000 51904.1774 -109681.9959 298.2940 -161586.1733 -109313.2183 298.8027 -20.3933 5.5161 759890.9003 7.0847 6.9513 PRESSURE: 3634200 -195.933 23.1148 128.964 23.1152 33.8529 -84.0784 128.964 -84.0784 230.798 GPRESSURE: 3634200 -173.731 -5.2941 76.9259 66.0056 113.649 -48.1544 147.523 -109.715 213.054 PRESSAVG: 3634200 4.63723 20.5022 -20.6487 20.5022 -58.8289 -10.347 -20.6487 -10.347 -8.44916 GPRESSAVG: 3634200 5.16428 20.4286 -22.7606 19.9784 -58.6097 -9.37029 -19.4735 -9.34984 -9.34504 TIMING: 3634200 CPU: 11549.6, 0.00313875/step Wall: 11549.6, 0.00313875/step, 1.19081 hours remaining, 242.152344 MB of memory in use. ENERGY: 3634200 4026.9125 20478.7003 14457.2757 247.7308 -203451.6014 2729.9998 0.0000 0.0000 51884.3844 -109626.5979 298.1803 -161510.9824 -109272.1801 299.2720 22.9062 50.9907 760058.5713 -20.8803 -20.9302 PRESSURE: 3634400 -139.39 9.85742 5.18821 9.85859 147.616 -33.7731 5.18806 -33.7727 -27.7084 GPRESSURE: 3634400 -44.2086 47.8158 -18.1 -57.7691 95.0216 33.128 -34.7706 -48.1688 18.3679 PRESSAVG: 3634400 48.8651 -19.389 33.3675 -19.3889 2.99688 -47.5768 33.3675 -47.5769 -1.06025 GPRESSAVG: 3634400 47.6835 -19.9396 34.9128 -17.8498 3.55512 -47.8678 34.228 -49.4983 -0.107429 TIMING: 3634400 CPU: 11550.3, 0.0031393/step Wall: 11550.3, 0.0031393/step, 1.19084 hours remaining, 242.152344 MB of memory in use. ENERGY: 3634400 3968.9202 20361.8932 14425.5106 227.4794 -203148.9512 2358.7910 0.0000 0.0000 52262.7710 -109543.5858 300.3549 -161806.3568 -109165.6448 298.6972 -6.4942 23.0603 760204.5636 16.9339 17.0437 PRESSURE: 3634600 -254.814 9.37608 42.0268 9.37589 112.44 105.877 42.0263 105.876 -509.817 GPRESSURE: 3634600 -285.492 90.826 49.3 27.1368 224.082 117.479 128.65 56.7997 -519.399 PRESSAVG: 3634600 37.7664 -1.79442 -29.9825 -1.79447 -30.9595 33.4168 -29.9825 33.4168 -3.92692 GPRESSAVG: 3634600 38.1911 -0.877411 -31.1731 -1.55408 -30.7408 31.5819 -30.1002 34.6416 -4.24147 TIMING: 3634600 CPU: 11550.9, 0.00312003/step Wall: 11550.9, 0.00312003/step, 1.18336 hours remaining, 242.152344 MB of memory in use. ENERGY: 3634600 4013.2266 20420.7823 14464.8614 256.7871 -203336.0275 2453.3571 0.0000 0.0000 52291.6465 -109435.3664 300.5208 -161727.0130 -109065.4553 298.9756 -217.3969 -193.6033 760726.7754 0.9600 1.0696 PRESSURE: 3634800 60.9745 38.6305 -154.931 38.632 -200.054 22.2864 -154.931 22.2878 -52.0919 GPRESSURE: 3634800 42.6393 20.8651 -172.144 -72.0771 -10.4788 35.6107 -210.98 -89.4733 -113.789 PRESSAVG: 3634800 -9.94392 -17.0606 17.3953 -17.0606 -9.19051 44.1491 17.3953 44.1491 15.6605 GPRESSAVG: 3634800 -10.128 -15.6672 17.5089 -20.9117 -8.8081 45.5513 17.8833 43.4865 15.6808 TIMING: 3634800 CPU: 11551.5, 0.00312671/step Wall: 11551.5, 0.00312671/step, 1.18572 hours remaining, 242.152344 MB of memory in use. ENERGY: 3634800 3931.1319 20677.6692 14449.1284 232.3491 -203497.3832 2666.5005 0.0000 0.0000 52059.2029 -109481.4010 299.1850 -161540.6040 -109132.5205 299.6664 -63.7239 -27.2095 760235.9868 -1.1580 -1.0851 PRESSURE: 3635000 -202.78 83.1533 0.350142 83.1535 -55.624 167.902 0.350311 167.902 -106.796 GPRESSURE: 3635000 -9.09282 -6.16865 80.9288 40.961 -137.917 144.889 121.422 160.236 -118.008 PRESSAVG: 3635000 6.19414 -32.0356 72.5365 -32.0356 -10.0544 -28.2591 72.5365 -28.2592 7.99197 GPRESSAVG: 3635000 7.34101 -34.3945 72.1773 -28.8066 -10.9162 -29.0756 70.4243 -26.3352 7.29455 TIMING: 3635000 CPU: 11552.2, 0.00312663/step Wall: 11552.2, 0.00312663/step, 1.18552 hours remaining, 242.152344 MB of memory in use. ENERGY: 3635000 4051.5478 20461.4358 14383.2701 224.4239 -202836.0285 2213.3794 0.0000 0.0000 51962.5206 -109539.4509 298.6293 -161501.9715 -109165.3249 299.1021 -121.7333 -88.3394 762023.9545 1.3773 1.2398 PRESSURE: 3635200 123.558 -135.66 53.5131 -135.66 -24.0873 96.4722 53.5136 96.4717 -138.935 GPRESSURE: 3635200 145.034 -2.45702 -34.9435 -185.182 -29.9389 45.3499 -55.028 -3.20291 -99.6685 PRESSAVG: 3635200 -2.49655 -52.1314 4.67825 -52.1314 16.6849 17.7006 4.6782 17.7005 5.13537 GPRESSAVG: 3635200 -2.07325 -51.6614 4.85194 -53.5714 15.612 18.0553 5.20326 16.6072 5.47078 TIMING: 3635200 CPU: 11552.8, 0.00315914/step Wall: 11552.8, 0.00315914/step, 1.19766 hours remaining, 242.152344 MB of memory in use. ENERGY: 3635200 3994.8107 20537.8216 14428.7974 244.0177 -203088.1961 2485.5520 0.0000 0.0000 51898.5711 -109498.6255 298.2618 -161397.1966 -109143.7964 299.0850 -13.1545 5.1423 760613.0275 6.4412 6.3365 PRESSURE: 3635400 345.357 -192.283 -72.5337 -192.283 505.48 -300.025 -72.5327 -300.025 54.8724 GPRESSURE: 3635400 330.721 -301.945 34.6901 -224.986 569.787 -297.243 -132.295 -281.14 82.8055 PRESSAVG: 3635400 19.7862 -49.4501 -50.6588 -49.4501 8.44058 8.74909 -50.6588 8.74906 3.00207 GPRESSAVG: 3635400 18.07 -47.7014 -49.1336 -48.0487 10.5108 9.50994 -50.1413 8.80095 2.49987 TIMING: 3635400 CPU: 11553.4, 0.00315432/step Wall: 11553.4, 0.00315432/step, 1.19566 hours remaining, 242.152344 MB of memory in use. ENERGY: 3635400 3991.9434 20554.9976 14487.8851 256.4800 -203581.6827 2669.8577 0.0000 0.0000 52090.3269 -109530.1921 299.3638 -161620.5190 -109177.1203 298.7883 301.9034 327.7710 758386.0008 10.4096 10.3602 PRESSURE: 3635600 132.185 210.499 -0.535739 210.499 219.273 -4.83183 -0.535304 -4.83334 90.8462 GPRESSURE: 3635600 219.467 238.544 -16.1033 80.7371 197.952 -57.3967 -110.871 42.6031 134.655 PRESSAVG: 3635600 -25.097 -15.9661 -55.6594 -15.9661 -12.3303 -22.1285 -55.6594 -22.1284 4.34098 GPRESSAVG: 3635600 -23.2872 -16.9937 -56.4857 -13.007 -13.571 -21.4991 -56.5727 -21.5881 4.20944 TIMING: 3635600 CPU: 11554, 0.00314756/step Wall: 11554, 0.00314756/step, 1.19293 hours remaining, 242.152344 MB of memory in use. ENERGY: 3635600 4007.5376 20620.1324 14444.5974 246.6206 -203621.6652 2737.0648 0.0000 0.0000 52119.5288 -109446.1835 299.5316 -161565.7123 -109095.4816 299.4548 147.4346 184.0249 759304.9248 -11.0287 -10.8829 PRESSURE: 3635800 -207.965 7.22314 64.7575 7.2224 -111.538 -30.606 64.7588 -30.6064 -191.578 GPRESSURE: 3635800 -235.113 -8.33756 43.3909 61.7955 -88.5089 46.7748 207.963 55.3527 -94.8564 PRESSAVG: 3635800 -19.7638 -33.089 19.4664 -33.089 -13.2742 -11.1041 19.4664 -11.1041 10.7347 GPRESSAVG: 3635800 -21.5383 -33.8487 19.0166 -37.759 -11.7541 -11.0923 21.7878 -9.69683 11.3143 TIMING: 3635800 CPU: 11554.7, 0.00314269/step Wall: 11554.7, 0.00314269/step, 1.19091 hours remaining, 242.152344 MB of memory in use. ENERGY: 3635800 4002.4602 20502.3709 14463.5623 244.7882 -202818.3597 2087.8035 0.0000 0.0000 51951.0191 -109566.3555 298.5632 -161517.3746 -109203.4187 299.7815 -170.3604 -139.4927 761645.6471 -7.4344 -7.3260 PRESSURE: 3636000 70.9398 93.4126 -78.7232 93.4125 192.595 -150.798 -78.7235 -150.799 295.364 GPRESSURE: 3636000 52.308 200.226 -145.113 148.187 304.684 -171.194 -111.607 -275.769 283.748 PRESSAVG: 3636000 -10.6312 4.51456 -11.7482 4.51458 14.7584 -39.1613 -11.7482 -39.1613 -18.2833 GPRESSAVG: 3636000 -8.91835 4.6522 -11.5402 6.84663 12.7408 -39.8444 -12.7649 -40.4387 -18.2135 TIMING: 3636000 CPU: 11555.3, 0.00313554/step Wall: 11555.3, 0.00313554/step, 1.18802 hours remaining, 242.152344 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: 3636000 4036.1109 20241.4518 14436.0953 234.1143 -203565.2353 2805.9942 0.0000 0.0000 52183.0106 -109628.4583 299.8965 -161811.4689 -109259.9944 299.1304 186.2994 213.5801 762648.1373 -4.7187 -4.7970 PRESSURE: 3636200 83.0774 -71.8757 -182.792 -71.8758 117.222 -7.39188 -182.792 -7.39101 226.696 GPRESSURE: 3636200 118.515 -113.613 -103.02 10.359 185.392 -13.7554 -62.6553 9.98067 221.332 PRESSAVG: 3636200 -13.7954 -7.17433 26.6004 -7.17436 -11.2989 24.9725 26.6003 24.9725 0.75141 GPRESSAVG: 3636200 -15.0917 -6.71219 26.5211 -8.26578 -10.5234 23.7356 23.2962 26.6875 0.886329 TIMING: 3636200 CPU: 11555.9, 0.00312908/step Wall: 11555.9, 0.00312908/step, 1.1854 hours remaining, 242.152344 MB of memory in use. ENERGY: 3636200 3948.8994 20252.1846 14472.8951 259.8541 -203454.6565 2567.5877 0.0000 0.0000 52385.5875 -109567.6482 301.0607 -161953.2357 -109198.2726 299.3544 142.3317 175.0796 760145.5084 -8.1143 -8.2429 LDB: ============= START OF LOAD BALANCING ============== 11568.4 LDB: ============== END OF LOAD BALANCING =============== 11568.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11568.4 LDB: ============= START OF LOAD BALANCING ============== 11568.7 LDB: Largest compute 7034 load 0.034441 is 17.6% of average load 0.195281 LDB: Average compute 0.004382 is 2.2% of average load 0.195281 LDB: TIME 11568.7 LOAD: AVG 0.195281 MAX 0.221259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 11568.7 LOAD: AVG 0.195281 MAX 0.221259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: TIME 11568.7 LOAD: AVG 0.195281 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.707 MB LDB: ============== END OF LOAD BALANCING =============== 11568.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11568.7 PRESSURE: 3636400 -4.34812 98.0202 55.016 98.0192 122.482 23.3985 55.0157 23.3987 30.979 GPRESSURE: 3636400 16.8415 34.0575 87.6272 12.3369 130.19 38.0809 68.6405 -73.0867 77.9046 PRESSAVG: 3636400 39.3156 12.3195 53.1956 12.3195 -30.4132 -7.87269 53.1957 -7.87276 3.79957 GPRESSAVG: 3636400 38.5194 12.1223 52.0253 13.466 -30.1187 -6.57927 55.5317 -10.2193 4.38348 TIMING: 3636400 CPU: 11556.6, 0.00322153/step Wall: 11556.6, 0.00322153/step, 1.22025 hours remaining, 239.382812 MB of memory in use. ENERGY: 3636400 4031.4599 20537.2918 14471.3593 241.2690 -203273.0718 2435.4046 0.0000 0.0000 52104.7832 -109451.5039 299.4469 -161556.2871 -109087.9842 299.7204 49.7043 74.9787 762188.8225 4.2340 4.2614 PRESSURE: 3636600 -38.5387 213.751 86.1316 213.752 42.3903 -158.59 86.131 -158.589 -9.10781 GPRESSURE: 3636600 9.50848 237.725 -57.3718 118.242 91.9491 -125.359 -18.7532 -185.772 -39.3638 PRESSAVG: 3636600 0.878879 19.1823 33.5946 19.1823 12.5977 29.0826 33.5946 29.0827 -18.6778 GPRESSAVG: 3636600 2.42519 19.5281 33.3351 20.0522 11.4001 28.3139 33.4625 27.5241 -18.9233 TIMING: 3636600 CPU: 11557.2, 0.00315322/step Wall: 11557.2, 0.00315322/step, 1.1942 hours remaining, 239.382812 MB of memory in use. ENERGY: 3636600 3977.7147 20523.0078 14495.2424 253.2134 -203518.3680 2832.6932 0.0000 0.0000 52010.1782 -109426.3183 298.9032 -161436.4965 -109072.2824 299.2856 -1.7521 20.6979 761859.8208 -1.7337 -1.6994 PRESSURE: 3636800 26.7049 -14.0651 73.8326 -14.0652 -17.507 145.324 73.8315 145.325 -26.3137 GPRESSURE: 3636800 0.0932784 -44.438 159.513 -126.397 122.863 87.6324 -26.194 219.203 -51.6966 PRESSAVG: 3636800 34.6935 20.5823 50.5918 20.5823 -2.85215 -57.486 50.5918 -57.486 25.8144 GPRESSAVG: 3636800 33.2244 20.5989 52.4982 21.0237 -1.16696 -55.4166 51.9072 -54.8666 25.2311 TIMING: 3636800 CPU: 11557.8, 0.00313355/step Wall: 11557.8, 0.00313355/step, 1.18657 hours remaining, 239.382812 MB of memory in use. ENERGY: 3636800 3974.8561 20409.2981 14401.9253 235.5037 -203027.3402 2336.8805 0.0000 0.0000 52107.7208 -109561.1556 299.4638 -161668.8764 -109193.6848 299.3625 -5.7053 23.7531 762592.4512 19.2186 19.0962 PRESSURE: 3637000 -114.954 -117.805 101.903 -117.805 94.3676 43.478 101.903 43.4793 -48.7047 GPRESSURE: 3637000 -38.982 -155.476 46.8301 -61.9958 102.426 -21.2668 56.1182 12.6356 -25.0804 PRESSAVG: 3637000 56.6171 16.8052 11.8208 16.8052 -20.1002 8.22539 11.8208 8.22548 0.70714 GPRESSAVG: 3637000 57.8848 17.5031 12.0729 15.4101 -20.7145 7.57987 9.65321 6.5384 0.651355 TIMING: 3637000 CPU: 11558.5, 0.00312495/step Wall: 11558.5, 0.00312496/step, 1.18314 hours remaining, 239.382812 MB of memory in use. ENERGY: 3637000 3978.0143 20420.8281 14420.1216 256.3998 -203279.1193 2437.9264 0.0000 0.0000 52303.8018 -109462.0274 300.5907 -161765.8292 -109093.4282 299.3385 -23.0971 12.7879 762238.0986 12.4080 12.6072 PRESSURE: 3637200 180.575 49.7482 214.12 49.7486 11.3792 -179.763 214.119 -179.764 165.263 GPRESSURE: 3637200 222.455 53.2189 198.534 -83.7639 24.0715 -177.485 142.952 -70.4182 199.697 PRESSAVG: 3637200 -5.25109 -17.2447 37.1942 -17.2447 18.7904 44.718 37.1943 44.718 -7.54209 GPRESSAVG: 3637200 -4.63327 -17.0621 36.801 -17.4113 18.8681 44.0748 38.1835 46.6976 -8.09498 TIMING: 3637200 CPU: 11559.1, 0.00311234/step Wall: 11559.1, 0.00311234/step, 1.17819 hours remaining, 239.382812 MB of memory in use. ENERGY: 3637200 4008.2388 20543.6453 14430.0998 257.5865 -203429.0360 2577.3362 0.0000 0.0000 52094.9481 -109517.1813 299.3904 -161612.1293 -109158.0551 299.5371 119.0724 148.7411 761388.4706 1.9991 2.0466 PRESSURE: 3637400 2.12676 -83.5783 -298.186 -83.5795 -153.943 118.036 -298.185 118.037 10.3021 GPRESSURE: 3637400 51.1107 -109.695 -281.613 -75.34 -90.0626 20.9964 -185.572 88.0057 -13.5784 PRESSAVG: 3637400 31.5084 46.3932 38.4964 46.3933 43.1967 -36.9482 38.4965 -36.9482 13.8827 GPRESSAVG: 3637400 30.047 45.3571 38.0092 46.5472 43.3906 -34.1691 38.5346 -39.106 14.3289 TIMING: 3637400 CPU: 11559.7, 0.00312032/step Wall: 11559.7, 0.00312032/step, 1.18104 hours remaining, 239.382812 MB of memory in use. ENERGY: 3637400 3896.4350 20519.2215 14432.4017 252.3152 -203186.5516 2372.1861 0.0000 0.0000 51929.2607 -109784.7313 298.4382 -161713.9920 -109421.9556 299.4053 -47.1713 -17.5101 762284.6064 29.5293 29.2555 PRESSURE: 3637600 -69.4675 88.1357 54.7157 88.1354 -179.002 56.8422 54.7152 56.8414 -205.719 GPRESSURE: 3637600 -9.32419 201.403 98.9491 25.6484 -167.549 72.2624 7.63333 -33.4788 -188.78 PRESSAVG: 3637600 -22.3801 23.8892 -32.4734 23.8892 2.10587 -15.1491 -32.4734 -15.1491 -2.29192 GPRESSAVG: 3637600 -22.8295 22.2242 -31.2991 24.8785 2.87423 -17.419 -31.5226 -15.7277 -2.13157 TIMING: 3637600 CPU: 11560.3, 0.0031108/step Wall: 11560.3, 0.0031108/step, 1.17726 hours remaining, 239.382812 MB of memory in use. ENERGY: 3637600 4031.4397 20378.6549 14382.1515 255.2223 -203102.2259 2312.7206 0.0000 0.0000 51982.6704 -109759.3664 298.7451 -161742.0369 -109397.7868 298.8309 -151.3961 -121.8843 761148.3096 -7.5220 -7.3623 PRESSURE: 3637800 55.0978 36.186 171.835 36.1855 228.704 -140.95 171.835 -140.951 8.16103 GPRESSURE: 3637800 47.6539 67.8053 146.719 18.2687 179.468 -103.371 156.061 -97.4897 142.414 PRESSAVG: 3637800 7.20323 21.839 22.6515 21.8389 24.4421 -39.2445 22.6515 -39.2446 -31.6048 GPRESSAVG: 3637800 7.79157 21.4194 20.3554 21.627 24.1818 -39.2518 20.9637 -36.4541 -31.9466 TIMING: 3637800 CPU: 11560.9, 0.00311247/step Wall: 11560.9, 0.00311247/step, 1.17772 hours remaining, 239.382812 MB of memory in use. ENERGY: 3637800 3973.0258 20347.4531 14463.5618 249.8006 -203514.6369 2506.1329 0.0000 0.0000 52141.0174 -109833.6453 299.6551 -161974.6627 -109480.5945 299.0249 97.3211 123.1786 760025.3713 0.0135 0.0089 PRESSURE: 3638000 -85.1246 -190.041 -222.519 -190.041 111.923 -66.8792 -222.519 -66.8808 237.959 GPRESSURE: 3638000 -41.2089 -87.9082 -313.95 -347.531 145.353 -101.84 -189.043 -50.71 258.683 PRESSAVG: 3638000 -10.7554 -0.267721 41.0551 -0.267753 6.66442 -35.2943 41.0551 -35.2943 3.42169 GPRESSAVG: 3638000 -11.2063 1.18669 43.2014 -0.860042 7.11121 -34.8558 41.9201 -35.8103 3.18297 TIMING: 3638000 CPU: 11561.6, 0.00311489/step Wall: 11561.6, 0.00311489/step, 1.17847 hours remaining, 239.382812 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: 3638000 3989.4687 20371.1008 14337.3263 255.0463 -203563.3897 2681.7565 0.0000 0.0000 51749.5822 -110179.1089 297.4056 -161928.6911 -109812.3572 298.6688 88.2525 120.9424 760419.9095 -0.2231 -0.3040 PRESSURE: 3638200 238.061 105.885 85.0456 105.885 386.463 -101.194 85.0455 -101.194 46.5145 GPRESSURE: 3638200 268.711 70.0468 117.058 60.1955 358.072 -56.1637 -5.03471 -90.9134 134.544 PRESSAVG: 3638200 -48.1222 -32.0169 78.6907 -32.0169 62.0449 22.7123 78.6907 22.7123 10.3059 GPRESSAVG: 3638200 -47.3127 -32.6041 77.7913 -32.0233 61.2155 21.9082 78.8863 20.4954 10.1269 TIMING: 3638200 CPU: 11562.2, 0.00314344/step Wall: 11562.2, 0.00314344/step, 1.18909 hours remaining, 239.382812 MB of memory in use. ENERGY: 3638200 3883.7516 20286.0141 14486.6911 241.0900 -203534.0182 2710.9301 0.0000 0.0000 51644.9758 -110280.5655 296.8044 -161925.5413 -109918.7668 297.8117 223.6796 253.7758 761318.2439 8.0762 8.0099 PRESSURE: 3638400 60.2133 -54.9923 -134.648 -54.9926 181.186 77.9705 -134.649 77.9694 210.786 GPRESSURE: 3638400 123.906 -171.47 -135.98 38.9913 233.019 132.249 -120.043 -40.5691 180.924 PRESSAVG: 3638400 -7.52941 -8.36117 -4.61388 -8.36114 38.0755 -43.7092 -4.61382 -43.7093 -5.92434 GPRESSAVG: 3638400 -5.67413 -8.83225 -4.91749 -8.25613 36.9341 -43.9304 -6.03905 -40.8541 -6.4284 TIMING: 3638400 CPU: 11562.8, 0.00315976/step Wall: 11562.8, 0.00315976/step, 1.19509 hours remaining, 239.382812 MB of memory in use. ENERGY: 3638400 4013.0429 20241.4163 14464.6371 234.9462 -203299.6363 2546.1494 0.0000 0.0000 51637.2987 -110162.1457 296.7603 -161799.4444 -109805.4422 297.4618 150.7282 179.2833 760592.5759 8.2072 8.2772 PRESSURE: 3638600 62.5094 10.7147 71.678 10.7153 -47.4501 -61.5321 71.6774 -61.5306 -64.4414 GPRESSURE: 3638600 32.2763 -8.41048 62.9755 13.879 13.2159 36.5493 148.2 -94.8736 -23.6885 PRESSAVG: 3638600 -24.5596 6.00952 34.2557 6.00953 43.8017 16.1569 34.2557 16.1569 3.29549 GPRESSAVG: 3638600 -25.8347 4.93086 33.5774 7.11889 44.4573 17.1877 36.0268 13.9595 4.10974 TIMING: 3638600 CPU: 11563.5, 0.00317638/step Wall: 11563.5, 0.00317638/step, 1.2012 hours remaining, 239.382812 MB of memory in use. ENERGY: 3638600 3957.5050 20408.9611 14487.5189 247.1306 -203564.4322 2458.4171 0.0000 0.0000 51668.3841 -110336.5155 296.9389 -162004.8996 -109978.9145 297.2556 -16.4607 7.2679 759256.6765 7.5125 7.5775 PRESSURE: 3638800 91.2384 -85.67 -36.039 -85.6701 101.555 146.708 -36.0401 146.708 394.716 GPRESSURE: 3638800 188.539 -7.5602 -130.961 38.1794 99.8894 81.8621 -60.3749 146.363 375.533 PRESSAVG: 3638800 -66.0829 -13.7574 10.8405 -13.7575 49.3181 46.521 10.8405 46.521 -2.35695 GPRESSAVG: 3638800 -66.5063 -11.7747 10.7329 -13.979 49.0984 45.4249 11.9625 48.0582 -2.19119 TIMING: 3638800 CPU: 11564.1, 0.00313774/step Wall: 11564.1, 0.00313774/step, 1.18641 hours remaining, 239.382812 MB of memory in use. ENERGY: 3638800 3959.2066 20424.2672 14491.0791 251.5124 -203730.0563 2708.8885 0.0000 0.0000 51802.5083 -110092.5943 297.7097 -161895.1026 -109741.5425 297.7937 195.8365 221.3204 760562.9037 -6.3739 -6.5331 PRESSURE: 3639000 -100.354 -130.493 80.1139 -130.492 -100.878 -51.0743 80.1146 -51.0741 118.383 GPRESSURE: 3639000 -25.418 -39.5915 77.7196 -154.344 -73.6998 -111.04 -31.5484 -49.1294 113.42 PRESSAVG: 3639000 -35.2627 30.8526 28.0325 30.8526 47.8751 23.0982 28.0325 23.0982 -4.70249 GPRESSAVG: 3639000 -34.3688 31.8571 27.8308 28.4985 48.0216 22.3585 27.5001 22.3326 -5.54405 TIMING: 3639000 CPU: 11564.7, 0.00310474/step Wall: 11564.7, 0.00310474/step, 1.17376 hours remaining, 239.382812 MB of memory in use. ENERGY: 3639000 3933.4742 20393.5690 14490.2976 241.1854 -203537.4090 2625.3345 0.0000 0.0000 51703.8929 -110149.6553 297.1430 -161853.5481 -109792.3594 297.7564 -27.6164 4.7674 760209.7226 2.6366 2.7029 PRESSURE: 3639200 -64.5329 -9.50522 -52.1368 -9.50527 101.945 130.654 -52.1366 130.653 -276.067 GPRESSURE: 3639200 -82.1796 45.701 47.8504 -33.5211 134.52 87.2128 -96.112 43.811 -211.279 PRESSAVG: 3639200 -10.7223 -8.33837 53.8037 -8.33834 23.2435 25.5544 53.8037 25.5544 1.36687 GPRESSAVG: 3639200 -11.2319 -8.29026 56.6008 -6.90904 23.138 26.2175 52.7465 25.5946 1.44496 TIMING: 3639200 CPU: 11565.3, 0.00310273/step Wall: 11565.3, 0.00310273/step, 1.17283 hours remaining, 239.382812 MB of memory in use. ENERGY: 3639200 4037.8616 20423.4229 14437.4654 235.3248 -203681.8990 2602.8746 0.0000 0.0000 51936.0378 -110008.9120 298.4771 -161944.9498 -109647.1197 297.7032 -79.5516 -52.9797 759777.0291 4.6294 4.4504 PRESSURE: 3639400 31.5868 132.544 -121.451 132.543 75.659 -174.257 -121.45 -174.257 235.518 GPRESSURE: 3639400 185.137 107.396 -164.783 -3.84527 57.0913 -192.888 -142.872 -249.942 195.96 PRESSAVG: 3639400 -3.91633 -17.986 3.78241 -17.986 1.06555 -9.57335 3.78236 -9.57333 1.51134 GPRESSAVG: 3639400 -4.51113 -20.7163 2.55416 -16.3118 1.45119 -10.6754 2.76361 -6.64185 1.71737 TIMING: 3639400 CPU: 11566, 0.00312746/step Wall: 11566, 0.00312746/step, 1.18201 hours remaining, 239.382812 MB of memory in use. ENERGY: 3639400 4012.6964 20469.6877 14386.1410 257.4432 -203682.6696 2792.7020 0.0000 0.0000 51830.6192 -109933.3802 297.8713 -161763.9994 -109570.5535 298.4911 114.2545 146.0626 762722.4111 -0.4465 -0.4475 PRESSURE: 3639600 -41.97 126.263 54.7921 126.264 -270.251 42.9614 54.7934 42.9612 574.555 GPRESSURE: 3639600 -30.3215 175.742 80.9478 -11.61 -175.417 90.5887 64.5855 -11.9112 555.03 PRESSAVG: 3639600 50.0997 16.0968 12.8693 16.0968 -5.07735 14.6519 12.8693 14.6518 -8.3029 GPRESSAVG: 3639600 50.639 18.1179 12.749 14.6111 -5.21122 15.6241 13.8422 12.5175 -8.48546 TIMING: 3639600 CPU: 11566.6, 0.00313906/step Wall: 11566.6, 0.00313906/step, 1.18622 hours remaining, 239.382812 MB of memory in use. ENERGY: 3639600 3947.4057 20325.7947 14452.5633 251.8632 -203358.7736 2395.3089 0.0000 0.0000 52160.2164 -109825.6214 299.7655 -161985.8379 -109468.1244 298.2035 87.4447 116.4306 762160.5230 12.2398 12.3141 PRESSURE: 3639800 157.446 -119.986 186.47 -119.986 -73.578 -73.1829 186.469 -73.1835 -198.268 GPRESSURE: 3639800 110.984 29.4155 239.56 -44.644 47.9504 -90.3475 71.0151 -67.9752 -175.918 PRESSAVG: 3639800 7.14799 51.5078 -12.1159 51.5078 -36.0009 81.6297 -12.1158 81.6297 9.05746 GPRESSAVG: 3639800 6.36749 52.2529 -11.956 50.3298 -34.9917 82.6714 -11.5832 79.0992 9.64821 TIMING: 3639800 CPU: 11567.2, 0.00312194/step Wall: 11567.2, 0.00312194/step, 1.17957 hours remaining, 239.382812 MB of memory in use. ENERGY: 3639800 4018.0025 20328.1237 14445.1764 235.7572 -203287.9090 2435.2011 0.0000 0.0000 52135.4091 -109690.2389 299.6229 -161825.6480 -109317.1973 298.7047 -38.1333 -5.6613 761517.3132 -6.5985 -6.3253 PRESSURE: 3640000 -53.7645 263.962 -27.2835 263.963 82.7895 -100.115 -27.284 -100.116 -458.288 GPRESSURE: 3640000 11.883 152.729 33.2879 203.116 44.962 -9.78377 -72.8285 -199.779 -398.779 PRESSAVG: 3640000 20.654 8.48726 -43.9142 8.48725 6.44919 -7.09137 -43.9142 -7.09134 -17.6723 GPRESSAVG: 3640000 22.078 7.31708 -43.2228 9.76092 4.74021 -5.95822 -44.9183 -5.54633 -17.2149 TIMING: 3640000 CPU: 11567.8, 0.00315467/step Wall: 11567.8, 0.00315467/step, 1.19176 hours remaining, 239.382812 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: 3640000 4006.3395 20509.7219 14380.1148 254.0050 -202941.5881 2381.6329 0.0000 0.0000 51817.8458 -109591.9282 297.7979 -161409.7740 -109244.9460 299.0993 -143.0878 -113.9782 759904.1288 3.1437 3.2011 PRESSURE: 3640200 -36.4841 211.771 56.5046 211.771 101.425 -137.196 56.5047 -137.196 504.969 GPRESSURE: 3640200 -65.6973 232.399 23.1625 222.556 242.717 -41.7067 -22.2713 22.6337 477.916 PRESSAVG: 3640200 -29.8976 14.5306 -42.8777 14.5307 68.2215 17.6125 -42.8777 17.6126 -6.76475 GPRESSAVG: 3640200 -30.8214 15.2425 -46.2317 12.4484 70.4456 15.9542 -42.1654 17.818 -8.13192 TIMING: 3640200 CPU: 11568.5, 0.00314696/step Wall: 11568.5, 0.00314696/step, 1.18868 hours remaining, 239.382812 MB of memory in use. ENERGY: 3640200 3960.0400 20555.5826 14456.8680 239.4991 -203377.1289 2567.9984 0.0000 0.0000 51988.9642 -109608.1765 298.7813 -161597.1408 -109250.1789 299.1888 189.9697 218.3119 759299.4065 10.5197 10.4974 LDB: ============= START OF LOAD BALANCING ============== 11580.9 LDB: ============== END OF LOAD BALANCING =============== 11580.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11580.9 LDB: ============= START OF LOAD BALANCING ============== 11581.2 LDB: Largest compute 7024 load 0.033279 is 17.0% of average load 0.195303 LDB: Average compute 0.004384 is 2.2% of average load 0.195303 LDB: TIME 11581.2 LOAD: AVG 0.195303 MAX 0.214104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 11581.2 LOAD: AVG 0.195303 MAX 0.214104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 11581.2 LOAD: AVG 0.195303 MAX 0.214104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 11581.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11581.2 PRESSURE: 3640400 -32.911 -84.1335 -94.8641 -84.1342 -306.22 82.7521 -94.865 82.7523 18.4793 GPRESSURE: 3640400 18.4231 -134.534 -99.0656 -97.5503 -282.857 76.0966 -112.071 79.6177 22.3097 PRESSAVG: 3640400 33.6785 15.4635 -12.3306 15.4635 10.2794 13.9192 -12.3306 13.9192 27.0453 GPRESSAVG: 3640400 33.5391 14.0072 -9.91384 17.3812 9.77465 15.7858 -11.9652 12.7699 26.7982 TIMING: 3640400 CPU: 11569.1, 0.00322095/step Wall: 11569.1, 0.00322094/step, 1.21644 hours remaining, 240.722656 MB of memory in use. ENERGY: 3640400 3943.3831 20381.5004 14546.3420 235.0190 -202729.8749 2011.8785 0.0000 0.0000 52069.5058 -109542.2462 299.2442 -161611.7519 -109177.7808 299.4315 -106.8840 -80.7079 762144.6961 23.6677 23.3706 PRESSURE: 3640600 48.9962 84.1794 -122.736 84.1789 -136.558 161.175 -122.736 161.174 -50.6677 GPRESSURE: 3640600 19.2404 69.284 -90.673 162.577 -67.024 193.805 -103.287 2.00733 -1.35959 PRESSAVG: 3640600 19.4704 40.4753 -63.1851 40.4753 -8.76973 -30.6742 -63.1851 -30.6743 -4.88882 GPRESSAVG: 3640600 19.9938 39.645 -61.8904 40.6334 -9.88534 -30.0648 -63.5897 -29.0658 -4.40084 TIMING: 3640600 CPU: 11569.7, 0.00315112/step Wall: 11569.7, 0.00315112/step, 1.1899 hours remaining, 240.722656 MB of memory in use. ENERGY: 3640600 4014.2399 20528.0588 14490.0506 234.7132 -203020.4172 2498.3629 0.0000 0.0000 51899.4903 -109355.5014 298.2671 -161254.9917 -109001.8464 299.4952 -46.0765 -16.3811 761925.3291 1.9373 1.9025 PRESSURE: 3640800 -28.0557 9.33062 -91.3873 9.32995 219.871 -85.2428 -91.3881 -85.2424 -384.223 GPRESSURE: 3640800 86.4998 46.7218 -106.566 0.862835 176.834 -48.7078 -131.982 -109.112 -385.065 PRESSAVG: 3640800 -10.9346 36.663 -83.4632 36.663 13.9583 -45.6852 -83.4632 -45.6853 4.81546 GPRESSAVG: 3640800 -11.4455 39.2513 -84.2479 37.3318 13.3216 -47.2591 -83.9956 -46.7189 5.35122 TIMING: 3640800 CPU: 11570.4, 0.00312844/step Wall: 11570.4, 0.00312844/step, 1.18116 hours remaining, 240.722656 MB of memory in use. ENERGY: 3640800 3999.5725 20414.2801 14500.3283 237.8610 -203378.5528 2558.4415 0.0000 0.0000 52336.0310 -109332.0384 300.7759 -161668.0694 -108965.9708 299.4404 -64.1357 -40.5771 761359.9660 2.6131 2.4091 PRESSURE: 3641000 -101.017 162.749 -109.656 162.75 -405.164 -23.3215 -109.656 -23.3216 38.4282 GPRESSURE: 3641000 -122.92 167.167 -123.637 223.252 -294.77 -112.069 -156.08 23.3434 42.7363 PRESSAVG: 3641000 -20.6973 6.81924 -67.0267 6.81916 6.21144 32.1289 -67.0267 32.1288 -27.0053 GPRESSAVG: 3641000 -21.4164 6.01959 -67.2751 6.48283 6.87422 32.2376 -66.8126 31.5133 -26.8498 TIMING: 3641000 CPU: 11571, 0.00313448/step Wall: 11571, 0.00313448/step, 1.18326 hours remaining, 240.722656 MB of memory in use. ENERGY: 3641000 4015.5290 20474.7663 14377.9243 259.1667 -203643.7522 2827.4078 0.0000 0.0000 52273.3691 -109415.5890 300.4158 -161688.9581 -109058.2872 299.9264 -155.9175 -124.9846 762624.9618 -13.8304 -13.7973 PRESSURE: 3641200 -26.9531 40.3709 129.227 40.3719 -167.349 66.2511 129.227 66.2522 142.985 GPRESSURE: 3641200 50.409 144.722 120.62 18.2084 -115.346 99.7559 -5.14265 118.306 113.044 PRESSAVG: 3641200 -5.91476 36.1541 -52.5826 36.1541 -15.7318 3.66456 -52.5826 3.66448 -0.65634 GPRESSAVG: 3641200 -5.21535 35.9496 -51.9723 36.2229 -15.962 3.48784 -53.394 4.14716 -1.19598 TIMING: 3641200 CPU: 11571.6, 0.00313468/step Wall: 11571.6, 0.00313468/step, 1.18317 hours remaining, 240.722656 MB of memory in use. ENERGY: 3641200 4037.1398 20457.1710 14449.9780 276.4464 -203615.1518 2769.1030 0.0000 0.0000 52218.6874 -109406.6262 300.1015 -161625.3136 -109040.6574 299.5818 -17.1058 16.0356 760490.8675 -7.4343 -7.4578 PRESSURE: 3641400 242.665 42.4364 -93.6849 42.4359 128.498 52.7705 -93.684 52.7709 -81.9853 GPRESSURE: 3641400 226.551 99.1429 -136.185 171.56 204.001 52.5062 -92.0715 -14.1247 -56.9641 PRESSAVG: 3641400 -12.0841 66.4519 -79.6072 66.4518 -40.8692 5.69304 -79.6072 5.69293 4.23905 GPRESSAVG: 3641400 -13.6434 66.5907 -80.2934 67.3524 -40.4002 5.71353 -77.9263 5.70645 4.44567 TIMING: 3641400 CPU: 11572.3, 0.00314201/step Wall: 11572.3, 0.00314201/step, 1.18576 hours remaining, 240.722656 MB of memory in use. ENERGY: 3641400 3970.8155 20499.2686 14492.8054 227.3928 -203220.1289 2589.1435 0.0000 0.0000 52067.1579 -109373.5451 299.2307 -161440.7030 -109008.3043 299.3532 96.3928 124.5290 760106.8067 -16.2381 -16.5326 PRESSURE: 3641600 102.427 5.45492 258.21 5.45464 -79.7454 16.7648 258.21 16.7656 18.5805 GPRESSURE: 3641600 29.1784 -38.0212 219.493 -64.4888 -14.4339 74.6114 274.463 145.022 79.5676 PRESSAVG: 3641600 -14.6691 67.5563 -6.88846 67.5562 6.03722 -25.1824 -6.88848 -25.1824 1.03078 GPRESSAVG: 3641600 -14.422 66.4536 -6.78959 65.265 5.96437 -25.62 -7.83877 -24.6203 0.635087 TIMING: 3641600 CPU: 11572.9, 0.00312598/step Wall: 11572.9, 0.00312598/step, 1.17954 hours remaining, 240.722656 MB of memory in use. ENERGY: 3641600 3968.2972 20694.7684 14548.6984 275.2752 -203448.4046 2622.3754 0.0000 0.0000 52176.1538 -109162.8363 299.8571 -161338.9901 -108795.7064 299.7462 13.7540 31.4374 759854.6291 -2.5337 -2.6075 PRESSURE: 3641800 34.3747 70.5283 -12.9216 70.5285 -72.6977 -138.071 -12.921 -138.071 215.512 GPRESSURE: 3641800 82.9212 104.478 -22.7906 86.891 8.26786 -60.6993 38.6323 -119.928 167.837 PRESSAVG: 3641800 41.4526 30.32 -15.3825 30.3199 -8.43831 14.9595 -15.3824 14.9595 10.3244 GPRESSAVG: 3641800 40.9032 32.2585 -14.2897 29.61 -9.84841 15.1292 -14.25 14.8141 12.9786 TIMING: 3641800 CPU: 11573.5, 0.0031322/step Wall: 11573.5, 0.0031322/step, 1.18171 hours remaining, 240.722656 MB of memory in use. ENERGY: 3641800 3918.7237 20648.5573 14480.8094 253.9852 -203365.1610 2476.4158 0.0000 0.0000 52559.6311 -109027.0384 302.0609 -161586.6695 -108651.9961 300.4838 59.0629 86.3419 761017.7990 14.4462 14.6778 PRESSURE: 3642000 -88.7064 -237.652 212.982 -237.653 -290.819 173.322 212.983 173.322 152.691 GPRESSURE: 3642000 -50.8796 -219.973 69.5626 -151.588 -256.53 242.668 192.76 187.926 159.481 PRESSAVG: 3642000 -44.892 11.9903 -5.1378 11.9903 -1.43114 -18.5341 -5.13783 -18.5341 -11.3568 GPRESSAVG: 3642000 -45.0112 10.7096 -6.76331 13.7418 0.548676 -18.7343 -5.67398 -17.7958 -13.3672 TIMING: 3642000 CPU: 11574.1, 0.00313357/step Wall: 11574.1, 0.00313357/step, 1.18205 hours remaining, 240.722656 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: 3642000 4012.7422 20584.1652 14479.2891 235.9753 -203386.2323 2538.1332 0.0000 0.0000 52354.3363 -109181.5911 300.8811 -161535.9274 -108815.8469 300.3419 -75.6112 -49.3095 759863.1905 -19.2267 -19.2766 PRESSURE: 3642200 -16.6253 9.31244 -273.88 9.31226 -86.5674 -78.7793 -273.88 -78.7787 71.6508 GPRESSURE: 3642200 49.5623 -97.1049 -240.534 -76.4946 -115.932 -41.9953 -297.936 -132.689 119.737 PRESSAVG: 3642200 35.3835 13.1996 -3.51873 13.1996 -34.7092 -16.2617 -3.51874 -16.2617 37.9763 GPRESSAVG: 3642200 35.2321 13.3417 -3.56823 12.2422 -35.4132 -17.5748 -1.66957 -17.7712 39.7821 TIMING: 3642200 CPU: 11574.8, 0.00314733/step Wall: 11574.8, 0.00314733/step, 1.18707 hours remaining, 240.722656 MB of memory in use. ENERGY: 3642200 4035.4902 20414.9886 14519.5584 251.9340 -203490.2254 2619.8613 0.0000 0.0000 52303.6862 -109344.7066 300.5900 -161648.3928 -108975.5041 299.7478 -10.5139 17.7892 759410.3466 12.8835 13.2003 PRESSURE: 3642400 -178.063 -90.5841 -64.8834 -90.5831 222.851 -10.6024 -64.8832 -10.6019 221.135 GPRESSURE: 3642400 -67.9186 -136.341 -65.5671 105.474 186.411 59.5132 41.1965 198.998 238.048 PRESSAVG: 3642400 -18.3028 -12.6903 -16.0304 -12.6903 -11.4812 -14.1904 -16.0304 -14.1904 11.489 GPRESSAVG: 3642400 -15.8547 -13.8967 -15.9159 -11.9532 -11.5881 -11.8701 -17.6968 -11.436 9.32198 TIMING: 3642400 CPU: 11575.4, 0.00313965/step Wall: 11575.4, 0.00313965/step, 1.184 hours remaining, 240.722656 MB of memory in use. ENERGY: 3642400 3936.5641 20520.4573 14508.6015 256.2177 -203408.2709 2507.9279 0.0000 0.0000 52174.4673 -109504.0351 299.8474 -161678.5024 -109132.8800 299.2114 88.6410 118.8468 759173.5177 -6.0983 -6.0403 PRESSURE: 3642600 -456.475 19.5128 -186.67 19.5126 153.863 57.9263 -186.67 57.9264 144.814 GPRESSURE: 3642600 -360.239 -58.5393 -195.972 -32.74 179.659 70.8365 -101.828 -10.6601 87.6146 PRESSAVG: 3642600 -19.9615 -3.38415 24.3015 -3.38418 -11.3883 28.3308 24.3015 28.3308 6.08075 GPRESSAVG: 3642600 -21.3066 -3.4777 25.5074 -2.08992 -9.65854 27.4816 24.6006 27.0066 5.98246 TIMING: 3642600 CPU: 11576, 0.00314814/step Wall: 11576, 0.00314814/step, 1.18702 hours remaining, 240.722656 MB of memory in use. ENERGY: 3642600 3907.5986 20630.9580 14494.8459 232.4755 -203059.9991 2280.5354 0.0000 0.0000 51885.9706 -109627.6151 298.1894 -161513.5857 -109262.4737 299.0865 -52.5992 -30.9884 758994.5205 -8.4230 -8.3276 PRESSURE: 3642800 -184.181 163.623 -101.658 163.624 37.2875 84.1132 -101.658 84.1142 175.559 GPRESSURE: 3642800 -176.913 145.347 -10.6824 121.653 63.6113 115.929 -156.852 32.3794 224.044 PRESSAVG: 3642800 -78.2108 -52.9434 13.0394 -52.9434 63.6735 18.5889 13.0394 18.5889 -25.5469 GPRESSAVG: 3642800 -79.4441 -48.0719 11.8082 -55.8708 63.7221 19.9559 13.067 16.3178 -24.4493 TIMING: 3642800 CPU: 11576.6, 0.00313065/step Wall: 11576.6, 0.00313065/step, 1.18026 hours remaining, 240.722656 MB of memory in use. ENERGY: 3642800 3887.7541 20576.8569 14479.7748 245.2291 -203484.3646 2617.0239 0.0000 0.0000 52034.6454 -109643.0804 299.0438 -161677.7258 -109271.7805 299.0130 9.5552 36.9138 760242.0571 -13.3614 -13.3905 PRESSURE: 3643000 152.241 -133.796 1.87563 -133.796 24.7654 55.575 1.87535 55.5746 -274.925 GPRESSURE: 3643000 126.778 -225.831 26.2204 -14.8963 144.284 93.9824 -91.8645 111.132 -300.978 PRESSAVG: 3643000 -8.49124 -36.69 -28.0225 -36.69 8.25844 16.5085 -28.0224 16.5085 3.82838 GPRESSAVG: 3643000 -7.18714 -38.7489 -27.2173 -32.1342 8.4878 14.6352 -29.3589 20.4692 2.34072 TIMING: 3643000 CPU: 11577.3, 0.00311376/step Wall: 11577.3, 0.00311376/step, 1.17371 hours remaining, 240.722656 MB of memory in use. ENERGY: 3643000 4065.9768 20635.3918 14472.8199 253.4130 -203234.3480 2592.2276 0.0000 0.0000 51723.6858 -109490.8330 297.2567 -161214.5188 -109131.2546 299.0199 -32.6395 -9.9721 759554.9453 1.1985 1.2138 PRESSURE: 3643200 -192.527 85.9039 52.4497 85.9047 -38.867 -41.8109 52.45 -41.8109 -165.654 GPRESSURE: 3643200 -133.874 94.2276 128.824 105.202 -110.631 -70.3014 6.36789 -10.324 -66.7984 PRESSAVG: 3643200 20.4727 22.3072 -17.8126 22.3072 -1.45495 34.9135 -17.8125 34.9135 18.272 GPRESSAVG: 3643200 20.7165 20.0514 -17.8571 19.1188 -2.46433 34.3015 -16.8566 31.8995 19.4083 TIMING: 3643200 CPU: 11577.9, 0.0031565/step Wall: 11577.9, 0.0031565/step, 1.18965 hours remaining, 240.722656 MB of memory in use. ENERGY: 3643200 3977.3697 20660.4022 14496.4605 250.5635 -203228.9338 2363.1244 0.0000 0.0000 52252.6916 -109228.3220 300.2969 -161481.0136 -108863.8591 299.5008 -132.3494 -103.7678 761171.3171 12.4299 12.5535 PRESSURE: 3643400 -137.863 -142.759 -124.678 -142.759 -137.377 44.2479 -124.679 44.2475 292.946 GPRESSURE: 3643400 -112.932 -19.8197 -130.984 -71.4296 -105.979 34.8421 -112.087 -31.4622 318.214 PRESSAVG: 3643400 -48.2299 19.2015 1.13984 19.2015 48.5181 32.9118 1.13981 32.9118 -1.2806 GPRESSAVG: 3643400 -49.2356 20.3127 0.460086 19.722 49.2985 34.6794 1.41637 32.9865 -1.78287 TIMING: 3643400 CPU: 11578.5, 0.00316955/step Wall: 11578.5, 0.00316955/step, 1.19439 hours remaining, 240.722656 MB of memory in use. ENERGY: 3643400 4012.1181 20613.6927 14511.2853 240.4969 -203146.9717 2402.2672 0.0000 0.0000 52123.7524 -109243.3591 299.5559 -161367.1115 -108876.4789 300.1475 5.9021 33.1012 760758.7592 -0.3308 -0.5733 PRESSURE: 3643600 79.3612 34.0869 -14.2228 34.0873 226.82 171.783 -14.2222 171.783 109.127 GPRESSURE: 3643600 78.485 -71.7004 -23.0012 -2.8312 277.138 194.806 -0.951777 262.913 146.686 PRESSAVG: 3643600 -10.7875 -7.4621 -4.99611 -7.46214 1.98255 57.7701 -4.99609 57.77 16.9378 GPRESSAVG: 3643600 -10.9053 -5.75283 -3.901 -9.52647 2.10085 58.7838 -4.02625 59.2401 17.1721 TIMING: 3643600 CPU: 11579.2, 0.003157/step Wall: 11579.2, 0.003157/step, 1.18949 hours remaining, 240.722656 MB of memory in use. ENERGY: 3643600 4038.8636 20559.1206 14501.6001 243.2427 -203813.2979 2936.8786 0.0000 0.0000 52182.0005 -109351.5917 299.8907 -161533.5923 -108996.8348 299.6777 138.4360 167.4365 761025.8821 2.7110 2.7892 PRESSURE: 3643800 -205.145 365.979 103.914 365.978 113.045 -147.681 103.912 -147.682 -286.389 GPRESSURE: 3643800 -202.467 250.308 77.8042 250.022 196.927 -126.893 141.188 -103.677 -290.151 PRESSAVG: 3643800 3.005 -0.432171 43.0843 -0.432159 -10.7311 -25.6647 43.0842 -25.6647 17.7479 GPRESSAVG: 3643800 3.509 -2.04909 42.1086 -0.495603 -11.2513 -26.7541 40.5322 -26.2691 17.6122 TIMING: 3643800 CPU: 11579.8, 0.00319443/step Wall: 11579.8, 0.00319443/step, 1.20341 hours remaining, 240.722656 MB of memory in use. ENERGY: 3643800 4045.9470 20447.2669 14484.7976 238.8445 -203158.1211 2375.8379 0.0000 0.0000 52147.9581 -109417.4689 299.6950 -161565.4270 -109060.7693 299.7463 -126.1629 -98.5636 760551.7549 3.3406 3.2900 PRESSURE: 3644000 104.769 129.558 -49.547 129.557 -182.771 -25.7376 -49.5471 -25.7382 253.718 GPRESSURE: 3644000 70.9023 21.5186 -78.7933 104.717 -78.4094 -21.7482 87.0063 -20.0887 268.401 PRESSAVG: 3644000 -25.1528 -3.51656 3.89455 -3.51652 34.2943 -25.2482 3.8946 -25.2482 -26.709 GPRESSAVG: 3644000 -24.9021 -2.37165 3.59971 -1.63545 33.6184 -25.5965 7.38219 -24.9528 -26.1174 TIMING: 3644000 CPU: 11580.4, 0.0031703/step Wall: 11580.4, 0.0031703/step, 1.19415 hours remaining, 240.722656 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: 3644000 3949.6645 20374.4328 14481.1708 248.1592 -203548.5700 2731.4028 0.0000 0.0000 52403.9639 -109359.7760 301.1663 -161763.7399 -108983.3718 299.8889 58.5720 86.9647 760874.2663 -5.8558 -5.8004 PRESSURE: 3644200 -9.62065 -146.638 116.995 -146.638 -81.9283 274.642 116.995 274.644 -91.0737 GPRESSURE: 3644200 70.2952 -155.189 59.6514 -68.7332 -100.898 253.148 137.61 275.859 -67.6959 PRESSAVG: 3644200 -47.3568 -13.812 22.7299 -13.812 29.9898 25.5343 22.7299 25.5343 -13.7678 GPRESSAVG: 3644200 -47.7065 -15.8718 24.7138 -13.7829 30.3842 24.3082 20.1356 27.4445 -13.5857 TIMING: 3644200 CPU: 11581.1, 0.00315925/step Wall: 11581.1, 0.00315925/step, 1.18981 hours remaining, 240.722656 MB of memory in use. ENERGY: 3644200 3954.1688 20326.3755 14445.2531 261.7465 -203428.1736 2691.6530 0.0000 0.0000 52239.2536 -109509.7231 300.2197 -161748.9767 -109142.0321 299.6779 -60.8742 -32.7661 762408.7975 -10.3783 -10.3027 LDB: ============= START OF LOAD BALANCING ============== 11593.5 LDB: ============== END OF LOAD BALANCING =============== 11593.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11593.5 LDB: ============= START OF LOAD BALANCING ============== 11593.8 LDB: Largest compute 7046 load 0.033025 is 16.9% of average load 0.195364 LDB: Average compute 0.004395 is 2.2% of average load 0.195364 LDB: TIME 11593.8 LOAD: AVG 0.195364 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.234 MB LDB: TIME 11593.8 LOAD: AVG 0.195364 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.234 MB LDB: TIME 11593.8 LOAD: AVG 0.195364 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.234 MB LDB: ============== END OF LOAD BALANCING =============== 11593.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11593.8 PRESSURE: 3644400 -160.736 -22.9591 -450.367 -22.9583 -154.351 -0.0116627 -450.367 -0.0109655 -519.926 GPRESSURE: 3644400 -34.6493 -24.9015 -392.465 -110.21 -206.356 8.93127 -365.895 -31.9255 -509.659 PRESSAVG: 3644400 12.9539 37.8984 -18.2996 37.8983 -48.5199 29.8446 -18.2996 29.8446 -15.3087 GPRESSAVG: 3644400 12.925 40.5749 -20.0995 36.9044 -47.9207 31.844 -16.1804 28.1499 -15.9511 TIMING: 3644400 CPU: 11581.7, 0.00322109/step Wall: 11581.7, 0.00322109/step, 1.21292 hours remaining, 239.750000 MB of memory in use. ENERGY: 3644400 3940.5801 20356.5930 14432.1500 244.5999 -203379.0017 2550.2666 0.0000 0.0000 52105.4595 -109749.3528 299.4508 -161854.8123 -109385.1629 299.0982 -278.3377 -250.2213 763189.8125 -16.9582 -16.9823 PRESSURE: 3644600 88.6244 117.028 -91.7431 117.028 21.0608 -35.7562 -91.7423 -35.7558 47.8991 GPRESSURE: 3644600 105.425 105.955 -60.4035 146.334 68.0451 12.1785 -142.249 -36.3259 47.7306 PRESSAVG: 3644600 19.504 61.7772 -14.7687 61.7772 -11.7801 -57.9507 -14.7688 -57.9507 -11.7226 GPRESSAVG: 3644600 19.0509 59.4073 -15.3616 63.3916 -12.2773 -58.2885 -15.7816 -58.3235 -11.2042 TIMING: 3644600 CPU: 11582.3, 0.00313315/step Wall: 11582.3, 0.00313315/step, 1.17963 hours remaining, 239.953125 MB of memory in use. ENERGY: 3644600 3935.4295 20605.0444 14533.2104 253.7874 -203692.8189 2835.7577 0.0000 0.0000 51982.4485 -109547.1410 298.7438 -161529.5895 -109177.6577 298.8586 52.5281 73.7336 762883.5123 -1.3329 -1.4768 PRESSURE: 3644800 308.919 182.254 -65.571 182.253 40.3234 116.518 -65.5705 116.517 243.316 GPRESSURE: 3644800 332.075 160.756 -40.1618 185.959 123.024 95.4169 33.028 141.176 214.747 PRESSAVG: 3644800 4.43191 54.5874 44.0683 54.5874 15.7478 -5.65266 44.0683 -5.65253 -20.0069 GPRESSAVG: 3644800 5.6089 55.8377 44.666 56.263 14.6225 -4.31534 44.1894 -4.82901 -20.1575 TIMING: 3644800 CPU: 11583, 0.00314049/step Wall: 11583, 0.00314049/step, 1.18222 hours remaining, 239.953125 MB of memory in use. ENERGY: 3644800 3902.1179 20459.2674 14498.9755 237.7130 -203632.8318 2862.3818 0.0000 0.0000 52066.4069 -109605.9692 299.2264 -161672.3761 -109246.4269 299.3790 197.5195 223.2820 761109.3030 0.0576 0.0246 PRESSURE: 3645000 -54.7066 42.2754 -106.441 42.2755 -173.723 164.454 -106.44 164.453 161.99 GPRESSURE: 3645000 -40.469 40.3746 -198.919 117.28 -136.853 146.206 -167.765 -23.8476 193.856 PRESSAVG: 3645000 -33.2342 7.54115 -1.65536 7.54109 -35.8173 -17.6552 -1.65536 -17.6552 17.357 GPRESSAVG: 3645000 -34.5771 7.71835 -1.87122 6.22468 -34.5453 -18.0563 -2.96927 -18.4406 16.7622 TIMING: 3645000 CPU: 11583.6, 0.00311557/step Wall: 11583.6, 0.00311557/step, 1.17267 hours remaining, 239.953125 MB of memory in use. ENERGY: 3645000 3932.2775 20392.2887 14542.0793 234.1965 -203255.1882 2598.1307 0.0000 0.0000 51865.5782 -109690.6373 298.0722 -161556.2155 -109329.7282 298.4119 -22.1464 5.5111 763148.6371 -17.2315 -17.4534 PRESSURE: 3645200 66.3251 70.2366 239.22 70.2355 88.1327 -171.884 239.221 -171.883 56.2964 GPRESSURE: 3645200 41.1687 63.55 160.601 94.9204 146.203 -110.19 219.353 60.884 118.106 PRESSAVG: 3645200 34.4313 19.3402 7.44735 19.3401 7.9472 20.7351 7.44741 20.7351 8.76658 GPRESSAVG: 3645200 34.0885 19.0694 7.96285 17.8977 8.19723 20.3598 6.85674 22.1841 10.1725 TIMING: 3645200 CPU: 11584.2, 0.00312321/step Wall: 11584.2, 0.00312321/step, 1.17537 hours remaining, 239.953125 MB of memory in use. ENERGY: 3645200 3915.4637 20541.2370 14479.7295 235.3937 -203546.4892 2882.7963 0.0000 0.0000 51949.8249 -109542.0440 298.5564 -161491.8689 -109178.6643 298.6955 70.2514 101.8257 761487.7715 17.0484 17.4861 PRESSURE: 3645400 -57.0491 166.905 -348.471 166.905 -107.778 104.235 -348.471 104.236 290.777 GPRESSURE: 3645400 82.117 46.967 -338.181 98.7703 -144.225 4.98657 -266.398 123.235 272.252 PRESSAVG: 3645400 -5.17998 12.832 19.9323 12.832 -13.3393 9.78106 19.9323 9.78111 2.28463 GPRESSAVG: 3645400 -3.30531 12.29 18.8672 13.753 -14.3033 8.9013 21.7977 9.22067 1.20533 TIMING: 3645400 CPU: 11584.8, 0.00312714/step Wall: 11584.8, 0.00312714/step, 1.17667 hours remaining, 239.953125 MB of memory in use. ENERGY: 3645400 3958.0464 20481.4552 14432.8347 246.3033 -203313.4452 2571.1142 0.0000 0.0000 52170.5985 -109453.0928 299.8251 -161623.6913 -109098.7918 299.1720 41.9835 70.0480 761827.6183 -5.4115 -5.4678 PRESSURE: 3645600 -34.9241 -88.6729 6.52944 -88.6724 -179.21 -84.0275 6.53025 -84.027 296.964 GPRESSURE: 3645600 -57.8632 -152.522 76.8875 -110.212 -38.4838 -24.5107 -100.507 -20.2672 263.353 PRESSAVG: 3645600 7.40155 25.0559 -2.43299 25.0559 -19.2376 -33.7825 -2.43296 -33.7824 -4.08296 GPRESSAVG: 3645600 7.54604 26.1289 -1.6795 26.4596 -18.5318 -32.9968 -3.57559 -32.3421 -5.15358 TIMING: 3645600 CPU: 11585.5, 0.00312823/step Wall: 11585.5, 0.00312823/step, 1.17691 hours remaining, 239.953125 MB of memory in use. ENERGY: 3645600 3900.5332 20478.9851 14541.3644 240.8978 -203509.4835 2670.1928 0.0000 0.0000 51976.5650 -109700.9452 298.7100 -161677.5102 -109346.4574 298.9492 27.6099 55.6688 763122.1535 -5.3063 -5.3798 PRESSURE: 3645800 -19.0018 163.302 59.2965 163.301 -98.8491 -33.4666 59.2972 -33.4685 -471.283 GPRESSURE: 3645800 40.0129 154.948 181.465 157.631 -124.445 16.0137 -29.5526 46.0938 -432.008 PRESSAVG: 3645800 -46.3652 4.91203 -16.7663 4.91207 48.0766 -48.7718 -16.7663 -48.7719 9.82532 GPRESSAVG: 3645800 -46.8281 5.11077 -16.7713 5.83833 47.7308 -50.229 -15.925 -48.4772 11.0186 TIMING: 3645800 CPU: 11586.1, 0.00313807/step Wall: 11586.1, 0.00313807/step, 1.18044 hours remaining, 239.953125 MB of memory in use. ENERGY: 3645800 3951.2584 20348.1085 14470.7522 252.2353 -203378.4540 2578.4615 0.0000 0.0000 51951.3821 -109826.2558 298.5653 -161777.6379 -109456.5653 298.2851 -196.3779 -172.1468 760909.3651 3.8456 3.9738 PRESSURE: 3646000 -159.463 280.539 60.5144 280.539 1.06739 309.17 60.5146 309.169 23.1794 GPRESSURE: 3646000 -157.788 193.824 -25.8703 135.446 24.4141 259.165 91.6879 308.123 91.6203 PRESSAVG: 3646000 54.6021 34.7412 -37.7566 34.7412 -16.9716 -46.1029 -37.7566 -46.1028 3.22531 GPRESSAVG: 3646000 54.6902 35.1162 -38.8794 33.3921 -16.6687 -45.5859 -37.2565 -46.7382 2.99537 TIMING: 3646000 CPU: 11586.7, 0.0031622/step Wall: 11586.7, 0.0031622/step, 1.18934 hours remaining, 239.953125 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: 3646000 3991.5143 20491.1861 14424.6886 257.5345 -203537.3088 2633.0231 0.0000 0.0000 51923.9329 -109815.4294 298.4076 -161739.3623 -109453.5498 298.3940 -45.0720 -13.9180 761930.3893 13.6186 13.6723 PRESSURE: 3646200 12.0288 -22.645 -18.5088 -22.645 -32.3974 61.6735 -18.5094 61.6725 -128.818 GPRESSURE: 3646200 -5.42198 -80.6899 -81.2113 34.7698 25.454 65.628 -138.446 14.0828 -85.7307 PRESSAVG: 3646200 -37.9186 -16.9388 -29.1809 -16.9388 38.9347 18.6594 -29.1808 18.6594 -3.8388 GPRESSAVG: 3646200 -37.3815 -17.5971 -28.3277 -17.6549 38.5137 19.5452 -31.7269 15.8829 -3.88589 TIMING: 3646200 CPU: 11587.4, 0.00316456/step Wall: 11587.4, 0.00316456/step, 1.19005 hours remaining, 239.953125 MB of memory in use. ENERGY: 3646200 4003.7477 20610.9324 14491.4431 242.3228 -203866.2406 2853.5525 0.0000 0.0000 51823.1653 -109841.0767 297.8284 -161664.2421 -109491.9574 298.5906 -49.7288 -21.8996 761420.5706 -0.9409 -0.9179 PRESSURE: 3646400 -316.1 140.515 -33.8469 140.515 10.0098 62.9574 -33.847 62.9571 159.381 GPRESSURE: 3646400 -274.563 129.411 -117.82 26.3229 62.3281 -50.5688 112.495 38.1518 137.223 PRESSAVG: 3646400 2.45506 12.2165 14.9349 12.2165 21.8187 35.6923 14.9349 35.6923 -1.70523 GPRESSAVG: 3646400 2.25067 11.218 15.756 10.4167 21.8685 34.1501 17.5578 38.1077 -1.39539 TIMING: 3646400 CPU: 11588, 0.00315099/step Wall: 11588, 0.00315099/step, 1.18477 hours remaining, 239.953125 MB of memory in use. ENERGY: 3646400 3908.3528 20546.8126 14442.1390 236.0299 -203288.6003 2307.0765 0.0000 0.0000 51883.5304 -109964.6591 298.1754 -161848.1895 -109607.9703 298.0603 -48.9030 -25.0042 760457.1590 7.5229 7.5746 PRESSURE: 3646600 -323.729 267.506 262.961 267.506 -11.8864 94.1575 262.961 94.1564 -484.02 GPRESSURE: 3646600 -300.603 214.352 349.771 262.258 60.7559 46.8976 109.23 37.3707 -504.734 PRESSAVG: 3646600 -49.3059 23.4528 29.8083 23.4528 52.6284 15.1 29.8082 15.1 -15.8779 GPRESSAVG: 3646600 -49.0504 25.0441 29.5602 24.1098 52.7488 16.9354 29.7474 13.3117 -15.6923 TIMING: 3646600 CPU: 11588.6, 0.00314001/step Wall: 11588.6, 0.00314001/step, 1.18047 hours remaining, 239.953125 MB of memory in use. ENERGY: 3646600 4028.7419 20632.6006 14453.3175 242.8967 -203983.5710 2716.2855 0.0000 0.0000 51878.6142 -110031.1146 298.1471 -161909.7288 -109672.4140 298.3978 -273.2117 -248.1937 759667.5566 -4.1851 -3.9979 PRESSURE: 3646800 68.1813 1.47586 32.7367 1.47666 -117.668 -103.453 32.7372 -103.452 -45.4182 GPRESSURE: 3646800 111.899 80.2537 47.5296 24.8206 -132.722 -108.686 -79.677 -155.224 28.5007 PRESSAVG: 3646800 -38.7963 6.78513 32.7961 6.78511 49.5591 -15.4756 32.7961 -15.4755 8.56554 GPRESSAVG: 3646800 -38.8848 5.14936 30.9929 7.97978 49.5454 -16.1099 32.7057 -14.1496 8.47392 TIMING: 3646800 CPU: 11589.2, 0.00313087/step Wall: 11589.2, 0.00313087/step, 1.17686 hours remaining, 239.953125 MB of memory in use. ENERGY: 3646800 3976.9769 20641.4706 14457.2666 244.0301 -203786.5485 2615.4477 0.0000 0.0000 51706.2360 -110145.1205 297.1564 -161851.3565 -109791.1947 297.9967 -31.6351 2.5593 758927.7547 6.4428 6.3782 PRESSURE: 3647000 143.917 43.0092 94.5115 43.0084 192.608 -13.1501 94.5111 -13.1489 62.788 GPRESSURE: 3647000 51.3832 -26.1275 169.135 98.658 281.158 -52.1536 167.156 17.5889 156.43 PRESSAVG: 3647000 -31.485 26.7847 9.75034 26.7847 29.0385 1.57689 9.75026 1.57694 -9.21932 GPRESSAVG: 3647000 -31.9529 27.4597 12.1022 24.8832 29.8089 0.877686 10.5359 1.31931 -9.01201 TIMING: 3647000 CPU: 11589.9, 0.00314959/step Wall: 11589.9, 0.00314959/step, 1.18372 hours remaining, 239.953125 MB of memory in use. ENERGY: 3647000 4069.7210 20544.7772 14466.6791 233.1533 -203732.4612 2747.9187 0.0000 0.0000 51688.2413 -109981.9706 297.0530 -161670.2119 -109619.7155 297.9475 133.1045 162.9904 760517.3959 -3.8886 -3.7187 PRESSURE: 3647200 -146.959 32.8335 65.5557 32.833 163.099 -191.582 65.5553 -191.581 241.973 GPRESSURE: 3647200 -80.9319 124.85 40.5267 17.3136 75.9333 -223.993 70.446 -248.306 346.513 PRESSAVG: 3647200 -14.4115 2.93055 -13.9528 2.93052 -28.3202 -8.24605 -13.9527 -8.24609 30.0611 GPRESSAVG: 3647200 -13.3915 2.47109 -13.5834 5.42395 -29.6096 -7.48222 -15.0926 -9.31798 29.9417 TIMING: 3647200 CPU: 11590.5, 0.00313993/step Wall: 11590.5, 0.00313993/step, 1.17992 hours remaining, 239.953125 MB of memory in use. ENERGY: 3647200 3863.0138 20257.6118 14486.1379 246.4656 -203587.9642 2739.5346 0.0000 0.0000 52126.2538 -109868.9467 299.5703 -161995.2004 -109497.5442 298.1464 86.0376 113.8383 759984.5179 -4.2235 -4.3532 PRESSURE: 3647400 -102.07 41.0044 179.855 41.004 -46.4711 193.632 179.855 193.632 -222.679 GPRESSURE: 3647400 -67.2388 31.719 183.784 57.6453 -22.3039 182.335 94.686 301.789 -197.178 PRESSAVG: 3647400 -23.0686 13.5764 39.9508 13.5764 -12.5818 34.0663 39.9508 34.0663 -14.7817 GPRESSAVG: 3647400 -24.1196 13.6721 37.8323 12.9033 -11.0459 34.5256 40.6865 35.4397 -15.3176 TIMING: 3647400 CPU: 11591.1, 0.00313717/step Wall: 11591.1, 0.00313717/step, 1.1787 hours remaining, 239.953125 MB of memory in use. ENERGY: 3647400 3999.6928 20347.2927 14483.5017 234.7380 -203232.5614 2299.1641 0.0000 0.0000 52114.3800 -109753.7921 299.5021 -161868.1721 -109393.1744 298.4715 -123.7400 -95.5735 761355.2604 -16.8107 -16.8277 PRESSURE: 3647600 -120.018 -249.986 29.6845 -249.986 -9.15251 -20.5495 29.6842 -20.5495 -160.357 GPRESSURE: 3647600 -31.0086 -282.326 -12.5614 -291.827 13.955 26.677 125.864 -31.8515 -157.566 PRESSAVG: 3647600 -16.2925 -60.7677 17.0954 -60.7677 9.92561 -4.37392 17.0954 -4.37384 -1.27705 GPRESSAVG: 3647600 -16.4281 -59.9498 19.1832 -61.5646 9.28671 -6.08514 16.8438 -4.88446 -0.62155 TIMING: 3647600 CPU: 11591.8, 0.00313882/step Wall: 11591.8, 0.00313882/step, 1.17915 hours remaining, 239.953125 MB of memory in use. ENERGY: 3647600 3997.5562 20376.9495 14461.4098 229.0371 -203400.0241 2475.9201 0.0000 0.0000 52266.3831 -109592.7681 300.3756 -161859.1512 -109230.2136 299.0988 -96.5092 -58.2065 760586.7069 -2.5480 -2.5877 PRESSURE: 3647800 -355.433 89.8844 56.7967 89.8852 -172.536 13.1884 56.7972 13.1873 -305.289 GPRESSURE: 3647800 -365.477 74.9736 118.25 9.04676 -146.449 26.3644 -42.9116 -8.19348 -215.295 PRESSAVG: 3647800 26.1913 6.66243 -2.52194 6.66242 -0.782087 31.6589 -2.52194 31.6589 -9.58102 GPRESSAVG: 3647800 26.5325 6.00143 -3.14094 7.01223 -1.12755 31.8745 -1.67124 32.5381 -9.04395 TIMING: 3647800 CPU: 11592.4, 0.00316896/step Wall: 11592.4, 0.00316896/step, 1.19029 hours remaining, 239.953125 MB of memory in use. ENERGY: 3647800 3982.8877 20632.8006 14488.0454 254.8537 -203455.4284 2417.3334 0.0000 0.0000 52001.5280 -109677.9796 298.8535 -161679.5075 -109317.5326 299.5104 -277.7528 -242.4069 760758.0429 5.2761 5.4537 PRESSURE: 3648000 -125.362 93.2849 86.9411 93.2857 -90.3928 67.3432 86.942 67.3436 10.1513 GPRESSURE: 3648000 -24.0529 127.551 72.8601 84.7226 -80.1838 44.3927 32.4328 82.63 -22.7134 PRESSAVG: 3648000 31.2099 -27.7618 -53.3283 -27.7618 7.05048 44.7011 -53.3282 44.7011 40.8269 GPRESSAVG: 3648000 32.3199 -26.9894 -53.4602 -28.8805 6.86249 45.3729 -53.8232 44.2261 39.5917 TIMING: 3648000 CPU: 11593, 0.00313904/step Wall: 11593, 0.00313904/step, 1.17888 hours remaining, 239.953125 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: 3648000 3942.3318 20592.1760 14476.8598 247.9463 -203507.8840 2631.1318 0.0000 0.0000 51888.3987 -109729.0396 298.2033 -161617.4384 -109371.5045 298.7243 -68.5346 -42.3167 760441.2729 26.3624 26.2581 PRESSURE: 3648200 -254.811 24.5191 -66.5617 24.5184 -283.448 -139.275 -66.5615 -139.274 -481.085 GPRESSURE: 3648200 -201.598 -52.1527 -75.9079 -48.352 -284.137 -177.261 -3.91329 -215 -449.269 PRESSAVG: 3648200 8.84838 34.5576 15.4334 34.5576 1.98391 20.2101 15.4333 20.2101 -19.5625 GPRESSAVG: 3648200 8.21446 34.9097 15.7804 35.7435 2.29239 21.6459 14.9516 18.6366 -19.2893 TIMING: 3648200 CPU: 11593.6, 0.00312001/step Wall: 11593.6, 0.00312001/step, 1.17157 hours remaining, 239.953125 MB of memory in use. ENERGY: 3648200 3982.8663 20448.8286 14472.3133 256.1253 -203846.7643 2897.3529 0.0000 0.0000 52209.5473 -109579.7306 300.0490 -161789.2779 -109207.3192 299.0889 -339.7814 -311.6682 761329.9936 -2.9101 -2.9275 LDB: ============= START OF LOAD BALANCING ============== 11606.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11606.1 LDB: =============== DONE WITH MIGRATION ================ 11606.1 LDB: ============= START OF LOAD BALANCING ============== 11606.4 LDB: Largest compute 7070 load 0.034557 is 17.7% of average load 0.195325 LDB: Average compute 0.004388 is 2.2% of average load 0.195325 LDB: TIME 11606.4 LOAD: AVG 0.195325 MAX 0.215348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.523 MB LDB: TIME 11606.4 LOAD: AVG 0.195325 MAX 0.215348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.727 MB LDB: TIME 11606.4 LOAD: AVG 0.195325 MAX 0.215348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.727 MB LDB: ============== END OF LOAD BALANCING =============== 11606.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11606.4 PRESSURE: 3648400 -33.4143 87.7064 -139.069 87.7073 -140.211 115.409 -139.069 115.409 104.443 GPRESSURE: 3648400 -64.4706 -7.53446 -201.336 208.163 9.83909 67.384 51.4258 8.2176 67.5001 PRESSAVG: 3648400 -33.9877 2.58486 -2.48126 2.58482 64.0896 19.4431 -2.48125 19.443 12.779 GPRESSAVG: 3648400 -34.6605 3.3324 -3.67086 3.29415 63.7249 16.7115 -0.753504 21.1706 13.7729 TIMING: 3648400 CPU: 11594.3, 0.00317578/step Wall: 11594.3, 0.00317578/step, 1.19233 hours remaining, 239.324219 MB of memory in use. ENERGY: 3648400 3974.8738 20498.2126 14469.7547 236.0696 -203675.4529 2686.1626 0.0000 0.0000 52051.0275 -109759.3520 299.1380 -161810.3796 -109395.8385 298.9673 -23.0608 4.2895 760903.9899 14.2936 14.2791 PRESSURE: 3648600 39.1574 164.946 -28.7735 164.946 128.599 38.8174 -28.7731 38.8173 35.7043 GPRESSURE: 3648600 118.339 151.703 -0.212563 242.383 164.319 113.925 6.64127 -208.886 -0.762441 PRESSAVG: 3648600 55.872 23.2949 -19.6139 23.2948 -25.3316 -12.4172 -19.6139 -12.4172 8.29147 GPRESSAVG: 3648600 54.45 21.0757 -18.5718 23.5622 -23.1603 -9.81783 -21.3226 -15.3864 7.63195 TIMING: 3648600 CPU: 11594.9, 0.00311153/step Wall: 11594.9, 0.00311153/step, 1.16803 hours remaining, 239.324219 MB of memory in use. ENERGY: 3648600 4023.5532 20428.2423 14544.4837 231.3583 -203627.2653 2561.0057 0.0000 0.0000 52163.6170 -109675.0051 299.7850 -161838.6221 -109302.8006 299.0426 67.8201 93.9649 760116.8222 12.9440 12.9739 PRESSURE: 3648800 115.516 44.4793 64.0506 44.4792 -32.017 -81.8813 64.0512 -81.883 -100.434 GPRESSURE: 3648800 116.167 12.0681 97.0559 159.693 47.1279 -121.664 41.566 -33.4965 -85.7266 PRESSAVG: 3648800 15.4586 19.7912 52.8795 19.7913 -62.6075 9.68505 52.8796 9.68501 3.05674 GPRESSAVG: 3648800 16.3359 19.1448 53.3529 17.9511 -63.4755 8.36448 53.8142 12.8228 2.94128 TIMING: 3648800 CPU: 11595.5, 0.00314177/step Wall: 11595.5, 0.00314177/step, 1.17921 hours remaining, 239.324219 MB of memory in use. ENERGY: 3648800 3979.8700 20540.2655 14504.4077 228.6869 -203398.9005 2390.0863 0.0000 0.0000 52024.8069 -109730.7771 298.9873 -161755.5840 -109367.2114 298.8335 -5.6449 25.8563 760555.9733 -14.6974 -14.7328 PRESSURE: 3649000 -18.6611 -45.1976 -7.93216 -45.1975 -63.7906 365.032 -7.93282 365.032 -222.579 GPRESSURE: 3649000 54.7117 33.625 -42.6442 -66.3161 -10.8539 336.761 -20.3896 226.666 -265.466 PRESSAVG: 3649000 26.1199 47.8966 -21.2279 47.8966 -14.2274 23.5973 -21.2279 23.5972 16.4863 GPRESSAVG: 3649000 27.4256 50.9384 -21.4814 49.0137 -14.9755 25.4122 -21.9483 22.0633 16.6806 TIMING: 3649000 CPU: 11596.2, 0.00312704/step Wall: 11596.2, 0.00312704/step, 1.17351 hours remaining, 239.324219 MB of memory in use. ENERGY: 3649000 4047.8513 20405.9053 14460.7227 219.9002 -203468.6844 2510.5090 0.0000 0.0000 52047.1376 -109776.6584 299.1156 -161823.7960 -109416.5145 299.2039 -101.6769 -73.8694 760599.6393 9.4596 9.7102 PRESSURE: 3649200 -183.174 -99.9978 50.1085 -99.9978 -238.27 -141.332 50.109 -141.331 31.2287 GPRESSURE: 3649200 -27.3348 -246.505 77.2822 -159.574 -197.886 -33.8822 144.595 -101.819 -61.7566 PRESSAVG: 3649200 3.07962 10.9732 -5.77389 10.9733 -13.2254 24.5874 -5.77398 24.5874 6.54912 GPRESSAVG: 3649200 3.11567 9.94014 -6.45728 10.4139 -12.6757 23.8834 -5.16025 24.3968 6.54225 TIMING: 3649200 CPU: 11596.8, 0.00311368/step Wall: 11596.8, 0.00311368/step, 1.16832 hours remaining, 239.324219 MB of memory in use. ENERGY: 3649200 4013.6331 20493.6377 14442.8089 257.2434 -203659.4826 2610.9919 0.0000 0.0000 52043.8129 -109797.3547 299.0965 -161841.1677 -109438.8937 299.1586 -130.0718 -95.6592 761657.2773 -1.1989 -1.0059 PRESSURE: 3649400 15.9837 -27.8443 -167.943 -27.844 -406.747 61.7003 -167.944 61.7004 340.648 GPRESSURE: 3649400 4.57469 55.6904 -228.906 38.0823 -257.732 120.724 -221.704 -59.8456 279.844 PRESSAVG: 3649400 57.2308 -25.3581 4.75624 -25.358 -33.9625 45.37 4.75621 45.37 -15.4904 GPRESSAVG: 3649400 55.9176 -25.7069 4.22199 -23.3256 -33.0683 43.977 4.67735 45.6954 -15.3236 TIMING: 3649400 CPU: 11597.4, 0.00310564/step Wall: 11597.4, 0.00310564/step, 1.16513 hours remaining, 239.324219 MB of memory in use. ENERGY: 3649400 3994.7715 20433.8937 14422.2085 232.7924 -203574.0653 2664.6611 0.0000 0.0000 52173.4037 -109652.3344 299.8413 -161825.7382 -109286.8567 299.1131 -16.7052 8.8956 761407.3879 2.5926 2.5086 PRESSURE: 3649600 -98.7276 27.6048 121.522 27.6045 128.875 -25.0654 121.522 -25.0658 202.265 GPRESSURE: 3649600 -45.6552 18.8235 125.699 7.78896 121.917 -51.1771 192.261 -110.241 235.471 PRESSAVG: 3649600 40.219 -24.7666 -42.9698 -24.7667 -46.6897 35.7491 -42.9698 35.749 7.38008 GPRESSAVG: 3649600 41.8755 -23.6348 -42.7157 -26.8353 -48.5243 37.6682 -42.9347 35.9334 7.42928 TIMING: 3649600 CPU: 11598, 0.00311224/step Wall: 11598, 0.00311224/step, 1.16744 hours remaining, 239.324219 MB of memory in use. ENERGY: 3649600 3993.1069 20564.9234 14429.2916 253.5094 -204267.6853 3145.6536 0.0000 0.0000 51941.5646 -109939.6358 298.5089 -161881.2004 -109587.9419 298.6862 77.4710 103.9109 759972.3305 0.3031 0.2602 PRESSURE: 3649800 -411.038 207.523 -172.534 207.523 -178.573 22.4494 -172.534 22.4493 -165.889 GPRESSURE: 3649800 -475.341 262.186 -325.61 62.2407 -118.613 60.7003 -63.3866 -64.2904 -99.1292 PRESSAVG: 3649800 -78.2394 6.81588 -41.9123 6.81591 42.8311 -7.07252 -41.9123 -7.07255 6.42837 GPRESSAVG: 3649800 -79.999 5.41006 -42.3427 6.841 44.0237 -8.57558 -40.6285 -6.01007 6.67455 TIMING: 3649800 CPU: 11598.6, 0.00310458/step Wall: 11598.6, 0.00310458/step, 1.16439 hours remaining, 239.324219 MB of memory in use. ENERGY: 3649800 3973.5123 20637.9889 14372.0556 230.6035 -203656.4641 2715.4524 0.0000 0.0000 51944.2570 -109782.5944 298.5244 -161726.8514 -109436.4745 299.0366 -251.8338 -231.0277 761089.4464 -9.6600 -9.7669 PRESSURE: 3650000 -35.9865 -25.5931 37.8731 -25.5942 197.411 135.186 37.8725 135.185 -247.523 GPRESSURE: 3650000 -63.8276 81.4017 95.1109 88.5048 218.099 216.225 -31.9643 56.5979 -172.576 PRESSAVG: 3650000 -2.43187 -14.8797 -18.8143 -14.8797 25.1968 -27.4192 -18.8143 -27.4192 4.53131 GPRESSAVG: 3650000 -2.62239 -13.022 -17.9539 -13.6399 24.6522 -26.3683 -21.1229 -28.7954 5.32677 TIMING: 3650000 CPU: 11599.3, 0.00309566/step Wall: 11599.3, 0.00309566/step, 1.16087 hours remaining, 239.324219 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: 3650000 4002.9225 20676.2870 14464.0463 252.2136 -203687.4784 2770.7044 0.0000 0.0000 51879.6733 -109641.6312 298.1532 -161521.3045 -109281.4088 298.7614 -28.6995 -6.1016 762424.0954 9.0988 9.1189 PRESSURE: 3650200 -117.998 -236.619 -48.2676 -236.62 -14.1494 20.7911 -48.2673 20.7909 -247.134 GPRESSURE: 3650200 -67.7858 -224.313 -14.6924 -183.279 -5.76682 -24.7164 22.1104 64.2165 -229.558 PRESSAVG: 3650200 -20.2802 -37.0886 23.3662 -37.0886 7.04562 21.998 23.3662 21.9979 -3.06314 GPRESSAVG: 3650200 -19.5248 -39.3804 22.7473 -36.9082 8.44309 23.2782 24.6812 20.8559 -4.72717 TIMING: 3650200 CPU: 11599.9, 0.00310285/step Wall: 11599.9, 0.00310285/step, 1.1634 hours remaining, 239.324219 MB of memory in use. ENERGY: 3650200 3984.5826 20538.0535 14369.5663 234.7319 -203376.0294 2542.6025 0.0000 0.0000 52258.0738 -109448.4188 300.3279 -161706.4926 -109082.3933 299.4384 -126.4271 -101.0367 760098.0125 -5.4326 -5.2696 PRESSURE: 3650400 35.6506 -61.1523 400.735 -61.1521 -141.105 -166.694 400.735 -166.696 153.807 GPRESSURE: 3650400 9.01534 -52.3633 396.6 -115.433 -59.1298 -142.435 253.548 -370.853 161.249 PRESSAVG: 3650400 7.81821 -45.4569 0.777033 -45.4568 -8.77318 36.9881 0.77701 36.988 -6.34204 GPRESSAVG: 3650400 6.45073 -46.0178 0.505048 -46.1989 -10.2242 35.4759 1.00606 36.9099 -4.46825 TIMING: 3650400 CPU: 11600.5, 0.00310489/step Wall: 11600.5, 0.00310489/step, 1.16399 hours remaining, 239.324219 MB of memory in use. ENERGY: 3650400 4037.2211 20473.4835 14563.4581 241.8679 -203172.5303 2483.4895 0.0000 0.0000 51832.6075 -109540.4025 297.8827 -161373.0100 -109174.9954 299.0425 16.1173 37.0449 761949.1714 -2.4323 -2.7472 PRESSURE: 3650600 146.252 -185.949 177.165 -185.95 -34.5192 -220.111 177.165 -220.111 414.76 GPRESSURE: 3650600 210.286 -171.255 234.379 -96.0178 4.89637 -198.828 71.8298 -165.32 418.282 PRESSAVG: 3650600 16.329 -90.8988 96.1241 -90.8987 -5.53488 -49.1255 96.1241 -49.1254 0.521566 GPRESSAVG: 3650600 17.811 -89.8847 96.4237 -91.4841 -5.58832 -51.8905 95.7659 -46.8737 -1.3257 TIMING: 3650600 CPU: 11601.1, 0.00310696/step Wall: 11601.1, 0.00310696/step, 1.16459 hours remaining, 239.324219 MB of memory in use. ENERGY: 3650600 3924.2599 20457.2533 14446.9710 243.6653 -203277.8134 2551.9489 0.0000 0.0000 52115.0143 -109538.7006 299.5057 -161653.7150 -109184.6812 299.2744 175.4975 211.1547 762772.3060 3.7719 3.6323 PRESSURE: 3650800 374.014 -8.12709 63.9374 -8.12785 -133.096 7.93533 63.9388 7.93531 99.4104 GPRESSURE: 3650800 372.707 75.4661 30.7679 -10.5151 -42.4803 -43.3809 -75.8741 95.1266 126.906 PRESSAVG: 3650800 6.81385 -31.0612 23.0287 -31.0612 -0.402061 16.2252 23.0287 16.2252 38.904 GPRESSAVG: 3650800 5.3616 -30.8877 22.7964 -30.4635 0.2191 20.2064 21.0864 15.2574 40.0339 TIMING: 3650800 CPU: 11601.7, 0.00311282/step Wall: 11601.7, 0.00311282/step, 1.16662 hours remaining, 239.324219 MB of memory in use. ENERGY: 3650800 3974.2328 20481.9033 14528.6832 252.4715 -203786.3468 2792.4773 0.0000 0.0000 52005.2285 -109751.3502 298.8748 -161756.5787 -109386.7690 298.9736 113.4430 152.3778 761533.5686 15.1053 15.2049 PRESSURE: 3651000 -179.158 101.246 1.89971 101.247 -263.034 104.504 1.89942 104.504 150.189 GPRESSURE: 3651000 -190.733 109.189 -29.6037 103.22 -110.284 78.445 50.5905 146.308 110.569 PRESSAVG: 3651000 87.6325 -1.45144 20.1834 -1.45144 -85.748 7.21575 20.1834 7.2157 4.17442 GPRESSAVG: 3651000 89.3357 -1.10369 19.2809 -3.72478 -87.0661 5.20059 23.5075 8.72672 3.62251 TIMING: 3651000 CPU: 11602.4, 0.00311587/step Wall: 11602.4, 0.00311587/step, 1.16759 hours remaining, 239.324219 MB of memory in use. ENERGY: 3651000 3984.9110 20514.1583 14497.1798 251.4626 -203844.2357 2820.3834 0.0000 0.0000 52031.6643 -109744.4764 299.0267 -161776.1407 -109385.6113 298.9082 -97.3344 -63.4824 761092.1403 2.0197 1.9640 PRESSURE: 3651200 55.4727 73.7655 -25.2825 73.765 -245.289 -41.4367 -25.2822 -41.4379 -44.5893 GPRESSURE: 3651200 91.7613 30.4642 -85.699 62.6532 -231.221 -67.3771 -2.75608 -68.4299 -37.825 PRESSAVG: 3651200 52.694 -29.267 48.0088 -29.2669 -32.2417 -39.0006 48.0088 -39.0006 -12.7998 GPRESSAVG: 3651200 50.9832 -28.622 49.3977 -27.6117 -30.72 -39.0814 46.7472 -41.5694 -12.815 TIMING: 3651200 CPU: 11603, 0.00312375/step Wall: 11603, 0.00312375/step, 1.17037 hours remaining, 239.324219 MB of memory in use. ENERGY: 3651200 4091.4659 20612.5942 14400.1488 247.4544 -203323.7254 2584.3222 0.0000 0.0000 51782.0841 -109605.6558 297.5923 -161387.7399 -109251.2843 299.0056 -78.1353 -59.0948 762507.6564 2.5508 2.4827 PRESSURE: 3651400 5.78963 -8.77132 226.902 -8.77173 110.967 205.09 226.903 205.09 235.596 GPRESSURE: 3651400 98.0393 -19.9732 223.011 -13.8365 181.089 136.799 228.866 290.34 146.523 PRESSAVG: 3651400 57.2601 -62.2021 59.1962 -62.2021 -41.2838 44.1574 59.1962 44.1574 9.5806 GPRESSAVG: 3651400 58.5896 -62.005 59.3112 -63.1995 -43.1897 44.345 59.2978 44.4723 9.94917 TIMING: 3651400 CPU: 11603.6, 0.00312547/step Wall: 11603.6, 0.00312547/step, 1.17084 hours remaining, 239.324219 MB of memory in use. ENERGY: 3651400 3979.1570 20573.2319 14521.5518 246.2744 -203603.0164 2850.3148 0.0000 0.0000 51837.9737 -109594.5127 297.9135 -161432.4864 -109223.6729 299.0919 117.4507 141.8838 760892.3225 8.5190 8.4497 PRESSURE: 3651600 -52.5524 62.2042 -61.5142 62.205 -100.077 -29.7606 -61.5149 -29.7609 -27.9194 GPRESSURE: 3651600 1.59113 41.4901 -7.18972 80.854 -111.072 -81.1722 -40.754 -134.218 19.2888 PRESSAVG: 3651600 58.5946 -35.0407 9.6689 -35.0407 -54.7468 -0.889999 9.6689 -0.890011 2.62658 GPRESSAVG: 3651600 58.1304 -37.7773 9.77327 -35.2695 -53.7543 -0.199508 9.80975 -0.153607 2.30279 TIMING: 3651600 CPU: 11604.2, 0.00312423/step Wall: 11604.2, 0.00312423/step, 1.1702 hours remaining, 239.324219 MB of memory in use. ENERGY: 3651600 3988.7851 20418.6676 14481.8247 263.6850 -203543.9580 2613.0476 0.0000 0.0000 52151.6872 -109626.2607 299.7165 -161777.9480 -109256.7465 298.7884 -60.1831 -30.0639 761703.4290 2.1581 2.2263 PRESSURE: 3651800 165.386 -91.2539 -3.79128 -91.2541 -170.501 57.7551 -3.79068 57.7543 -146.584 GPRESSURE: 3651800 256.339 -58.4402 58.4127 -100.586 -152.752 46.0849 -45.3233 125.129 -164.952 PRESSAVG: 3651800 99.3888 -67.3285 -3.10342 -67.3285 -107.104 21.9206 -3.10346 21.9206 -12.6683 GPRESSAVG: 3651800 98.4096 -66.9941 -3.01833 -66.8649 -105.912 22.4817 -2.96254 22.677 -13.0836 TIMING: 3651800 CPU: 11604.9, 0.00314291/step Wall: 11604.9, 0.00314291/step, 1.17702 hours remaining, 239.324219 MB of memory in use. ENERGY: 3651800 3959.1868 20519.6472 14502.6066 239.1303 -203300.2122 2350.6543 0.0000 0.0000 52004.8858 -109724.1012 298.8728 -161728.9870 -109358.7389 298.7411 -50.5662 -20.4548 761050.9379 -6.7945 -6.8620 PRESSURE: 3652000 -354.155 -61.9328 281.726 -61.9319 -223.404 -88.8361 281.727 -88.8353 -578.11 GPRESSURE: 3652000 -366.099 -76.2312 261.541 -39.3264 -127.997 -70.1032 144.528 -185.466 -557.574 PRESSAVG: 3652000 25.6059 -27.5233 -30.915 -27.5233 3.06844 -12.6999 -30.9151 -12.6998 -2.99476 GPRESSAVG: 3652000 25.8276 -24.8124 -31.4371 -27.7352 2.42931 -15.1328 -30.7949 -13.0356 -2.11153 TIMING: 3652000 CPU: 11605.5, 0.00313344/step Wall: 11605.5, 0.00313344/step, 1.1733 hours remaining, 239.324219 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: 3652000 4017.7143 20501.9637 14456.5450 258.0242 -203536.0696 2685.4572 0.0000 0.0000 51928.7852 -109687.5799 298.4354 -161616.3652 -109335.9725 299.0317 -385.2226 -350.5565 763016.4519 8.5599 8.7151 PRESSURE: 3652200 -335.622 -46.515 88.1102 -46.515 -16.4715 -335.268 88.1095 -335.268 -626.363 GPRESSURE: 3652200 -400.579 -28.8866 73.5752 -175.299 20.3429 -316.678 129.756 -303.835 -532.973 PRESSAVG: 3652200 20.5 11.0082 11.9569 11.0082 9.90424 -33.0116 11.9568 -33.0116 3.63432 GPRESSAVG: 3652200 20.0737 11.905 11.5201 11.2677 9.93288 -31.8022 11.3534 -32.4716 3.82791 TIMING: 3652200 CPU: 11606.1, 0.00312294/step Wall: 11606.1, 0.00312294/step, 1.1692 hours remaining, 239.324219 MB of memory in use. ENERGY: 3652200 3975.8587 20393.0123 14507.7754 238.0771 -203611.3252 2656.7438 0.0000 0.0000 52284.5547 -109555.3032 300.4801 -161839.8580 -109188.9097 299.3067 -326.1522 -304.4030 761955.1825 11.3462 11.2781 LDB: ============= START OF LOAD BALANCING ============== 11618.6 LDB: ============== END OF LOAD BALANCING =============== 11618.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11618.6 LDB: ============= START OF LOAD BALANCING ============== 11618.9 LDB: Largest compute 7074 load 0.032816 is 16.8% of average load 0.195372 LDB: Average compute 0.004416 is 2.3% of average load 0.195372 LDB: TIME 11618.9 LOAD: AVG 0.195372 MAX 0.213325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 11618.9 LOAD: AVG 0.195372 MAX 0.213325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.699 MB LDB: TIME 11618.9 LOAD: AVG 0.195372 MAX 0.213325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.699 MB LDB: ============== END OF LOAD BALANCING =============== 11618.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11618.9 PRESSURE: 3652400 106.178 43.7024 -101.9 43.7022 89.5472 -312.375 -101.9 -312.376 72.7119 GPRESSURE: 3652400 122.606 36.2003 -107.182 -16.7751 162.404 -291.393 -91.8836 -304.329 78.4086 PRESSAVG: 3652400 5.97798 -8.14183 3.97465 -8.14182 17.503 -19.4021 3.9747 -19.4021 20.4658 GPRESSAVG: 3652400 6.40408 -12.3036 3.69421 -5.00774 17.456 -17.2345 4.75271 -20.2276 19.8014 TIMING: 3652400 CPU: 11606.8, 0.00319807/step Wall: 11606.8, 0.00319807/step, 1.19714 hours remaining, 241.378906 MB of memory in use. ENERGY: 3652400 3983.6161 20445.5799 14463.8149 246.6135 -203465.5659 2653.8305 0.0000 0.0000 52126.8798 -109545.2312 299.5739 -161672.1110 -109185.6185 299.0578 89.4789 121.1396 761516.1601 14.6489 14.5538 PRESSURE: 3652600 -124.442 -256.302 118.977 -256.302 -289.939 -109.582 118.977 -109.582 -80.9862 GPRESSURE: 3652600 -40.8821 -238.364 90.2897 -61.2918 -232.93 -98.8139 158.925 -196.734 -133.561 PRESSAVG: 3652600 11.5362 -12.273 44.2646 -12.2729 -14.5292 -52.7253 44.2646 -52.7254 0.736474 GPRESSAVG: 3652600 10.5817 -9.34701 43.8265 -15.1379 -14.3519 -55.0604 46.0236 -54.987 1.29033 TIMING: 3652600 CPU: 11607.4, 0.00312731/step Wall: 11607.4, 0.00312731/step, 1.17048 hours remaining, 241.378906 MB of memory in use. ENERGY: 3652600 3922.8019 20512.0067 14489.0702 257.3612 -203058.8947 2341.2852 0.0000 0.0000 52143.0693 -109393.3002 299.6669 -161536.3694 -109025.6111 299.7728 -165.1224 -135.7908 763510.5740 -0.7522 -0.8266 PRESSURE: 3652800 -264.346 -0.59456 -63.1876 -0.594218 -129.21 11.591 -63.188 11.5909 -539.076 GPRESSURE: 3652800 -232.844 -82.0605 -18.9729 -94.2078 -114.977 60.2703 -83.0385 141.217 -486.551 PRESSAVG: 3652800 8.42754 -33.4092 -30.4233 -33.4093 -9.03196 -18.9489 -30.4233 -18.9489 16.1162 GPRESSAVG: 3652800 9.01761 -32.8885 -29.9784 -32.6938 -10.0599 -19.8826 -29.6656 -17.4186 16.7351 TIMING: 3652800 CPU: 11608, 0.00311402/step Wall: 11608, 0.00311402/step, 1.16534 hours remaining, 241.378906 MB of memory in use. ENERGY: 3652800 4076.3321 20465.8282 14454.7229 228.8822 -203471.1585 2650.9767 0.0000 0.0000 52259.6810 -109334.7355 300.3371 -161594.4165 -108974.8206 299.6053 -310.8772 -278.1239 762111.1260 5.1706 5.2310 PRESSURE: 3653000 -47.9961 -174.311 32.013 -174.312 -166.924 69.9698 32.0131 69.97 50.1471 GPRESSURE: 3653000 -115.73 -168.047 80.8209 -124.993 -50.7728 151.466 -3.59539 65.8652 80.1191 PRESSAVG: 3653000 8.79096 -7.69788 53.7554 -7.69786 -10.349 -2.06018 53.7555 -2.0602 -1.87655 GPRESSAVG: 3653000 7.4318 -10.1176 53.9146 -6.72916 -9.88109 -1.64864 51.892 -0.726288 -1.77848 TIMING: 3653000 CPU: 11608.6, 0.00311095/step Wall: 11608.6, 0.00311095/step, 1.16402 hours remaining, 241.378906 MB of memory in use. ENERGY: 3653000 4016.5441 20266.0654 14580.4527 237.9785 -202910.8333 2560.6102 0.0000 0.0000 52073.6461 -109175.5363 299.2680 -161249.1824 -108808.1981 299.6960 -54.9244 -28.7946 763356.2275 -1.1448 -1.4093 PRESSURE: 3653200 125.008 -175.333 -74.4386 -175.334 333.18 17.0277 -74.438 17.0282 141.574 GPRESSURE: 3653200 218.137 -204.561 -108.058 -288.734 300.841 29.5344 -17.792 49.6269 156.887 PRESSAVG: 3653200 -38.2564 -3.00112 10.5062 -3.0011 -25.0152 1.04283 10.5063 1.04282 -0.37102 GPRESSAVG: 3653200 -36.7227 -1.21915 11.6775 -5.68788 -25.8686 4.1784 10.7598 -0.926962 -0.802593 TIMING: 3653200 CPU: 11609.3, 0.00310936/step Wall: 11609.3, 0.00310936/step, 1.16325 hours remaining, 241.378906 MB of memory in use. ENERGY: 3653200 3903.4550 20384.6658 14446.8827 233.1492 -203425.8924 2761.3932 0.0000 0.0000 52234.7552 -109461.5913 300.1939 -161696.3465 -109101.0751 299.4650 199.9205 225.2885 761534.8061 -21.2142 -21.1313 PRESSURE: 3653400 46.586 -138.065 -68.613 -138.066 176.976 -2.46429 -68.6129 -2.4633 104.793 GPRESSURE: 3653400 33.4951 -147.218 -51.5914 -12.4561 246.907 -43.8239 -40.6348 13.068 112.951 PRESSAVG: 3653400 39.4222 12.5602 -20.8279 12.5602 31.3706 -30.8026 -20.8279 -30.8026 20.7103 GPRESSAVG: 3653400 38.9569 10.8154 -21.4379 14.9237 31.3031 -32.6286 -20.4312 -30.4704 20.84 TIMING: 3653400 CPU: 11609.9, 0.00311449/step Wall: 11609.9, 0.00311449/step, 1.16499 hours remaining, 241.378906 MB of memory in use. ENERGY: 3653400 3925.4094 20354.9880 14511.6519 235.4365 -203150.4700 2641.6533 0.0000 0.0000 51993.7952 -109487.5358 298.8091 -161481.3310 -109132.4149 299.4716 109.4517 131.1175 760858.9711 30.5011 30.3666 PRESSURE: 3653600 182.576 -25.2592 33.8964 -25.2593 -25.4031 65.0175 33.8969 65.0163 -242.777 GPRESSURE: 3653600 229.158 33.7032 -50.4173 4.47692 -46.4575 111.935 94.5006 -71.0922 -174.12 PRESSAVG: 3653600 -3.54787 -0.342321 23.2166 -0.342329 -35.0439 -2.38277 23.2166 -2.38284 -14.1947 GPRESSAVG: 3653600 -3.90299 1.46906 22.0692 -2.34874 -34.8874 -2.52504 22.8956 -1.84376 -14.2974 TIMING: 3653600 CPU: 11610.5, 0.00310714/step Wall: 11610.5, 0.00310714/step, 1.16207 hours remaining, 241.378906 MB of memory in use. ENERGY: 3653600 3926.9205 20550.6496 14418.0901 279.1934 -203269.2405 2680.2836 0.0000 0.0000 52085.1345 -109328.9686 299.3340 -161414.1032 -108974.4275 299.0572 -28.5345 2.8603 760422.5677 -17.5955 -17.6959 PRESSURE: 3653800 186.778 5.09661 84.8915 5.09708 -115.81 0.435912 84.8912 0.436159 80.5776 GPRESSURE: 3653800 194.2 -42.381 205.228 26.6288 -15.3432 -15.8029 94.9602 87.6109 58.3349 PRESSAVG: 3653800 33.7167 22.7767 42.23 22.7767 -1.35476 -17.6434 42.23 -17.6434 -2.44477 GPRESSAVG: 3653800 34.0119 21.0783 43.3775 23.4226 0.919542 -18.8702 41.2189 -16.0434 -4.84102 TIMING: 3653800 CPU: 11611.1, 0.00311533/step Wall: 11611.1, 0.00311533/step, 1.16496 hours remaining, 241.378906 MB of memory in use. ENERGY: 3653800 3902.6366 20471.9022 14407.9281 229.2147 -202971.9884 2507.8826 0.0000 0.0000 52075.2149 -109377.2093 299.2770 -161452.4242 -109020.8629 299.3880 50.5154 79.0638 761714.2393 9.9724 10.0302 PRESSURE: 3654000 240.203 176.747 112.534 176.747 256.79 84.2916 112.534 84.2932 -9.24391 GPRESSURE: 3654000 300.163 279.983 119.343 3.65864 264.876 85.4473 90.9651 -21.5935 31.8709 PRESSAVG: 3654000 22.4773 16.1628 -21.2486 16.1628 13.9342 -5.77235 -21.2486 -5.77233 -15.3914 GPRESSAVG: 3654000 23.5017 16.2121 -20.9353 16.3415 10.6895 -4.35914 -20.4678 -8.73162 -13.2017 TIMING: 3654000 CPU: 11611.7, 0.00310221/step Wall: 11611.7, 0.00310221/step, 1.15988 hours remaining, 241.378906 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: 3654000 3900.9925 20482.1825 14467.0735 234.6346 -203365.9330 2845.4668 0.0000 0.0000 52188.7022 -109246.8808 299.9292 -161435.5830 -108880.6466 299.6690 162.5831 198.9698 760449.3183 7.0067 6.9965 PRESSURE: 3654200 62.4466 -8.68024 128.417 -8.68041 -110.274 105.149 128.417 105.149 -385.321 GPRESSURE: 3654200 45.3774 -117.619 114.136 121.913 -38.0992 64.1799 81.0485 49.4022 -351.203 PRESSAVG: 3654200 -14.2019 26.9392 74.2935 26.9392 10.0904 -49.7621 74.2934 -49.762 -20.8648 GPRESSAVG: 3654200 -14.1798 25.752 73.7541 28.605 10.0367 -49.3422 74.0023 -49.1718 -20.6745 TIMING: 3654200 CPU: 11612.4, 0.00310488/step Wall: 11612.4, 0.00310489/step, 1.16071 hours remaining, 241.378906 MB of memory in use. ENERGY: 3654200 4030.8981 20531.0577 14411.7448 269.8097 -203357.4267 2533.6222 0.0000 0.0000 52248.8804 -109331.4138 300.2750 -161580.2942 -108972.5928 300.0770 -144.3828 -114.6416 761257.8118 -8.3254 -8.2725 PRESSURE: 3654400 324.864 225.929 91.5167 225.929 -22.9691 40.7342 91.5162 40.735 153.363 GPRESSURE: 3654400 361.576 246.757 100.276 88.5531 -5.22953 20.3576 65.66 19.5206 192.857 PRESSAVG: 3654400 23.1296 48.1381 80.9261 48.1381 -20.3615 -27.1092 80.9261 -27.1092 -10.1145 GPRESSAVG: 3654400 21.9236 49.807 81.7905 47.2885 -19.647 -27.3753 80.7514 -26.7036 -10.1406 TIMING: 3654400 CPU: 11613, 0.00311019/step Wall: 11613, 0.00311019/step, 1.16252 hours remaining, 241.378906 MB of memory in use. ENERGY: 3654400 3948.4099 20371.2097 14360.9360 241.9163 -203048.8748 2610.3218 0.0000 0.0000 52179.5488 -109336.5324 299.8766 -161516.0812 -108973.4358 299.4536 151.7525 183.0679 760425.3941 -2.4488 -2.6213 PRESSURE: 3654600 -43.8187 74.9284 73.4138 74.9279 -157.011 -52.9255 73.4132 -52.9252 37.8324 GPRESSURE: 3654600 -60.2353 138.672 142.907 24.5418 -52.9612 57.478 214.91 -135.166 24.6878 PRESSAVG: 3654600 -40.722 29.9846 48.0041 29.9846 21.446 -77.2896 48.0041 -77.2896 19.3408 GPRESSAVG: 3654600 -40.2059 29.8698 47.9872 29.9069 22.0283 -77.9533 46.8029 -77.7921 18.1902 TIMING: 3654600 CPU: 11613.6, 0.00312475/step Wall: 11613.6, 0.00312475/step, 1.16779 hours remaining, 241.378906 MB of memory in use. ENERGY: 3654600 3945.3850 20397.8136 14433.9181 233.1962 -203130.8716 2718.0809 0.0000 0.0000 51919.2391 -109483.2388 298.3806 -161402.4779 -109130.0244 299.1790 -54.3325 -29.5029 764128.3873 0.0216 0.0042 PRESSURE: 3654800 221.1 127.01 -148.946 127.01 -41.8878 -10.3516 -148.946 -10.3522 -20.108 GPRESSURE: 3654800 154.682 -16.2461 -132.781 175.888 45.5433 -75.3455 -43.3095 57.9346 33.0178 PRESSAVG: 3654800 0.585677 14.2105 66.1755 14.2106 -0.916464 -0.289063 66.1755 -0.289052 7.24651 GPRESSAVG: 3654800 0.261196 15.2731 65.1195 12.4409 -1.47905 0.778526 69.3838 0.0304749 8.56866 TIMING: 3654800 CPU: 11614.2, 0.00312485/step Wall: 11614.2, 0.00312485/step, 1.16765 hours remaining, 241.378906 MB of memory in use. ENERGY: 3654800 3997.2531 20467.9631 14498.5015 247.7474 -202935.9368 2488.6097 0.0000 0.0000 52007.4847 -109228.3773 298.8877 -161235.8619 -108865.8390 299.0440 53.0349 77.7477 761684.5685 2.3052 2.4503 PRESSURE: 3655000 -135.164 37.8115 63.425 37.8111 -416.706 164.656 63.425 164.656 -234.796 GPRESSURE: 3655000 -124.442 9.08669 -15.7645 138.097 -301.644 242.956 94.8344 141.679 -283.721 PRESSAVG: 3655000 -23.1475 6.54693 37.2698 6.54687 10.7824 -24.39 37.2697 -24.39 -4.92729 GPRESSAVG: 3655000 -23.4658 4.97708 37.8131 7.72772 12.2381 -26.4186 34.7563 -22.1872 -5.8861 TIMING: 3655000 CPU: 11614.9, 0.00312033/step Wall: 11614.9, 0.00312033/step, 1.16579 hours remaining, 241.378906 MB of memory in use. ENERGY: 3655000 4033.8331 20452.3475 14472.6003 259.0458 -202922.8217 2447.7687 0.0000 0.0000 51840.8916 -109416.3347 297.9303 -161257.2263 -109072.6508 299.3304 -262.2222 -236.6023 762970.0522 -5.7641 -5.7046 PRESSURE: 3655200 -280.609 -74.4319 224.215 -74.4327 13.7106 -18.8892 224.214 -18.8896 59.4577 GPRESSURE: 3655200 -292.146 -46.8738 180.687 -139.179 107.801 -48.6396 236.682 -20.3642 74.7228 PRESSAVG: 3655200 -8.27641 -25.1313 27.51 -25.1313 13.5894 30.7514 27.51 30.7515 -9.44544 GPRESSAVG: 3655200 -8.68989 -25.4696 28.4026 -25.6036 13.3725 31.5552 25.8704 30.02 -8.65746 TIMING: 3655200 CPU: 11615.5, 0.00315419/step Wall: 11615.5, 0.00315419/step, 1.17826 hours remaining, 241.378906 MB of memory in use. ENERGY: 3655200 3913.8184 20411.8332 14547.4681 257.1295 -203271.2728 2520.6883 0.0000 0.0000 52156.7285 -109463.6068 299.7454 -161620.3354 -109102.2653 299.5238 -69.1470 -36.5408 760812.0609 -1.3775 -1.3249 PRESSURE: 3655400 60.0804 184.42 6.24762 184.419 -134.656 -16.1707 6.24745 -16.1705 -124.748 GPRESSURE: 3655400 64.807 194.779 27.6696 164.124 -80.1242 -7.59292 -8.34351 118.343 -100.198 PRESSAVG: 3655400 -13.1262 -8.4493 30.6831 -8.44931 -11.3212 10.74 30.6831 10.74 -6.18398 GPRESSAVG: 3655400 -12.6996 -7.51854 29.3208 -7.29214 -11.7062 9.9224 33.2024 11.737 -6.05855 TIMING: 3655400 CPU: 11616.1, 0.00311389/step Wall: 11616.1, 0.00311389/step, 1.16304 hours remaining, 241.378906 MB of memory in use. ENERGY: 3655400 4028.9347 20406.9956 14438.2993 233.3251 -203093.7239 2318.2289 0.0000 0.0000 52158.8287 -109509.1117 299.7575 -161667.9404 -109167.9247 299.2884 -66.4412 -38.5050 762177.1578 -10.2105 -10.1548 PRESSURE: 3655600 -303.712 -108.98 -47.7536 -108.98 -350.747 106.956 -47.7533 106.955 -257.51 GPRESSURE: 3655600 -323.066 -46.5672 -121.152 -66.714 -294.009 85.16 -51.0881 50.3141 -225.359 PRESSAVG: 3655600 36.1092 6.38851 -18.228 6.38851 -36.7039 -2.45547 -18.228 -2.45547 13.045 GPRESSAVG: 3655600 36.4254 6.14469 -18.116 7.0835 -36.0143 -1.25526 -20.7343 -2.69003 12.135 TIMING: 3655600 CPU: 11616.7, 0.00312074/step Wall: 11616.7, 0.00312074/step, 1.16542 hours remaining, 241.378906 MB of memory in use. ENERGY: 3655600 4075.9870 20431.7807 14554.8541 252.7099 -202928.4494 2321.3955 0.0000 0.0000 51890.9555 -109400.7667 298.2180 -161291.7222 -109052.5789 298.9596 -303.9897 -280.8111 762699.9062 4.1501 4.1820 PRESSURE: 3655800 5.65219 169.393 33.3615 169.393 -294.317 -187.972 33.3613 -187.973 -380.448 GPRESSURE: 3655800 -59.1115 103.692 187.935 13.1657 -213.437 -303.961 240.349 -155.626 -325.544 PRESSAVG: 3655800 25.2371 7.0749 4.97084 7.07489 3.31692 15.3123 4.97077 15.3124 21.0434 GPRESSAVG: 3655800 24.4547 6.354 5.91954 5.17565 2.36448 13.9141 6.7469 14.5238 23.2281 TIMING: 3655800 CPU: 11617.4, 0.00311511/step Wall: 11617.4, 0.00311511/step, 1.16315 hours remaining, 241.378906 MB of memory in use. ENERGY: 3655800 4037.6391 20454.8591 14494.9578 246.2294 -203195.4741 2576.9575 0.0000 0.0000 51937.6921 -109447.1392 298.4866 -161384.8313 -109097.7766 298.8841 -223.0375 -199.3642 761788.0119 16.5325 16.6824 PRESSURE: 3656000 -293.563 -137.009 251.401 -137.008 -40.4576 -35.6973 251.401 -35.6979 -217.729 GPRESSURE: 3656000 -201.665 12.0151 314.988 -163.957 65.2763 33.6755 257.425 -19.2809 -309.543 PRESSAVG: 3656000 -14.1545 -3.12368 22.6245 -3.12365 10.915 -3.33152 22.6245 -3.33163 -9.15957 GPRESSAVG: 3656000 -12.5539 0.347885 21.4683 -3.31756 11.4063 -1.11354 22.5403 -4.90077 -11.0761 TIMING: 3656000 CPU: 11618, 0.00311863/step Wall: 11618, 0.00311863/step, 1.16429 hours remaining, 241.378906 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: 3656000 4014.6497 20377.7894 14462.9723 237.4813 -203518.5025 2499.6953 0.0000 0.0000 52179.5094 -109746.4051 299.8764 -161925.9145 -109383.5270 298.7220 -183.9167 -148.6440 760612.9946 -4.1330 -4.0746 PRESSURE: 3656200 -48.7278 96.3263 55.3262 96.3262 155.365 -93.5227 55.3267 -93.5224 -347.319 GPRESSURE: 3656200 -106.495 105.861 95.98 129.53 182.89 -70.8295 65.5666 -173.744 -225.149 PRESSAVG: 3656200 -10.1956 -10.8358 -6.8469 -10.8359 21.9136 -17.862 -6.84688 -17.8621 14.047 GPRESSAVG: 3656200 -12.1388 -12.3492 -6.76752 -11.0848 22.6583 -20.2858 -7.75588 -16.359 15.1539 TIMING: 3656200 CPU: 11618.6, 0.00312024/step Wall: 11618.6, 0.00312025/step, 1.16472 hours remaining, 241.378906 MB of memory in use. ENERGY: 3656200 4059.9922 20505.5476 14532.5436 262.1453 -203257.2744 2378.0485 0.0000 0.0000 52092.9741 -109426.0231 299.3790 -161518.9972 -109065.3429 299.4037 -80.2274 -49.5843 758513.1274 8.5883 8.5578 LDB: ============= START OF LOAD BALANCING ============== 11631.1 LDB: ============== END OF LOAD BALANCING =============== 11631.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11631.1 LDB: ============= START OF LOAD BALANCING ============== 11631.4 LDB: Largest compute 7065 load 0.031905 is 16.3% of average load 0.195244 LDB: Average compute 0.004400 is 2.3% of average load 0.195244 LDB: TIME 11631.4 LOAD: AVG 0.195244 MAX 0.218813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 11631.4 LOAD: AVG 0.195244 MAX 0.218813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.996 MB LDB: TIME 11631.4 LOAD: AVG 0.195244 MAX 0.217432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.996 MB LDB: ============== END OF LOAD BALANCING =============== 11631.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11631.4 PRESSURE: 3656400 91.0336 73.1483 -239.405 73.1489 44.6822 -119.641 -239.405 -119.641 6.01461 GPRESSURE: 3656400 107.361 85.82 -306.213 23.1106 91.9372 -178.961 -288.695 -102.683 36.4062 PRESSAVG: 3656400 70.2305 -90.3885 -7.97156 -90.3885 -2.24488 2.90657 -7.97162 2.90662 -4.31761 GPRESSAVG: 3656400 71.8416 -89.5676 -8.64605 -88.2546 -3.47675 4.92241 -7.02796 3.43978 -4.82729 TIMING: 3656400 CPU: 11619.2, 0.00319196/step Wall: 11619.2, 0.00319196/step, 1.19131 hours remaining, 240.808594 MB of memory in use. ENERGY: 3656400 3951.4114 20291.6951 14491.6142 251.2627 -203208.8002 2539.4984 0.0000 0.0000 52095.4986 -109587.8197 299.3935 -161683.3184 -109222.9145 299.6477 47.2435 78.5682 760104.1236 21.2227 21.1792 PRESSURE: 3656600 -86.9937 71.4301 -59.6017 71.4305 -414.561 -18.0996 -59.6015 -18.1006 -222.43 GPRESSURE: 3656600 -63.3339 -41.584 -36.1008 58.2249 -346.436 -79.9009 -148.917 14.2161 -226.151 PRESSAVG: 3656600 16.102 -28.8521 41.501 -28.8521 -46.3259 -83.3037 41.5011 -83.3037 13.4763 GPRESSAVG: 3656600 15.5299 -31.344 43.27 -29.4503 -46.2381 -83.6522 39.1677 -84.7522 14.184 TIMING: 3656600 CPU: 11619.9, 0.00313372/step Wall: 11619.9, 0.00313372/step, 1.1694 hours remaining, 240.808594 MB of memory in use. ENERGY: 3656600 3928.1966 20487.1480 14469.0243 239.8698 -203103.2119 2289.7168 0.0000 0.0000 51967.5241 -109721.7322 298.6581 -161689.2564 -109357.9372 298.9770 -241.3282 -211.9738 762034.2631 -5.5825 -5.5080 PRESSURE: 3656800 90.4587 59.0447 -85.9392 59.0444 149.428 194.376 -85.9398 194.378 16.5895 GPRESSURE: 3656800 89.033 73.3953 -124.856 27.8717 154.278 192.681 -110.315 183.818 79.4603 PRESSAVG: 3656800 31.9233 -47.7274 -23.5603 -47.7274 -49.4331 -74.3565 -23.5603 -74.3565 -0.499681 GPRESSAVG: 3656800 32.2719 -45.7313 -23.0711 -47.6113 -48.5394 -75.4416 -21.7578 -72.4934 -1.43521 TIMING: 3656800 CPU: 11620.5, 0.003122/step Wall: 11620.5, 0.003122/step, 1.16485 hours remaining, 240.808594 MB of memory in use. ENERGY: 3656800 3928.7495 20498.9680 14455.6273 244.2462 -203986.5997 3121.3608 0.0000 0.0000 51894.8656 -109842.7822 298.2405 -161737.6478 -109486.8216 298.3611 85.4922 107.5905 761835.8506 -6.0032 -5.9009 PRESSURE: 3657000 259.978 -217.063 103.048 -217.064 -67.9028 -188.335 103.048 -188.335 -236.969 GPRESSURE: 3657000 252.178 -263.558 78.5056 -83.2711 0.815596 -157.458 123.117 -266.646 -204.198 PRESSAVG: 3657000 30.3242 -24.0836 59.2906 -24.0837 -1.8203 -42.9775 59.2906 -42.9774 -14.4466 GPRESSAVG: 3657000 30.1053 -23.0019 59.9098 -24.3101 -1.70579 -42.6986 60.5957 -43.7256 -14.2302 TIMING: 3657000 CPU: 11621.1, 0.00313178/step Wall: 11621.1, 0.00313178/step, 1.16833 hours remaining, 240.808594 MB of memory in use. ENERGY: 3657000 3988.9767 20566.9371 14480.6717 252.6372 -203788.4112 2855.1962 0.0000 0.0000 51863.4815 -109780.5108 298.0601 -161643.9923 -109426.1647 299.0878 -14.9647 16.2652 759851.0565 4.6858 4.7231 PRESSURE: 3657200 -392.156 75.2284 -62.7533 75.2286 29.5277 -9.2042 -62.7541 -9.20406 122.454 GPRESSURE: 3657200 -302.894 116.018 47.1492 -34.767 50.4384 -62.0994 -169.637 95.9367 99.0102 PRESSAVG: 3657200 47.9289 -57.4343 2.472 -57.4344 1.48603 14.5013 2.47189 14.5013 25.0917 GPRESSAVG: 3657200 47.2909 -57.0121 2.4538 -59.0377 1.28719 13.7031 -1.50741 14.3781 25.7954 TIMING: 3657200 CPU: 11621.8, 0.00314367/step Wall: 11621.8, 0.00314367/step, 1.17259 hours remaining, 240.808594 MB of memory in use. ENERGY: 3657200 4015.8155 20427.3285 14518.7781 231.4778 -203786.8426 2912.7378 0.0000 0.0000 52057.7539 -109622.9510 299.1766 -161680.7048 -109261.7734 299.1803 -80.0580 -51.1485 762126.4057 24.8355 24.7911 PRESSURE: 3657400 57.4696 140.693 -36.2868 140.693 -60.9237 -225.319 -36.2867 -225.318 178.537 GPRESSURE: 3657400 115.32 64.6578 0.838726 67.8898 -37.9126 -167.637 -118.246 -82.9779 188.91 PRESSAVG: 3657400 -38.8752 -32.5547 15.726 -32.5548 6.77165 -21.3008 15.7259 -21.3008 10.2849 GPRESSAVG: 3657400 -36.6957 -35.6479 15.5376 -30.3467 5.84144 -20.945 18.1093 -21.8901 9.05668 TIMING: 3657400 CPU: 11622.4, 0.00313079/step Wall: 11622.4, 0.00313079/step, 1.16761 hours remaining, 240.808594 MB of memory in use. ENERGY: 3657400 3941.7383 20524.9068 14452.3516 261.4640 -203499.1023 2602.7219 0.0000 0.0000 52191.3744 -109524.5454 299.9445 -161715.9198 -109161.7311 299.0231 58.3609 88.7726 760773.8654 -7.2729 -7.2658 PRESSURE: 3657600 263.698 -93.9894 -243.894 -93.9893 429.511 -78.1527 -243.894 -78.1532 199.788 GPRESSURE: 3657600 336.881 -35.3278 -292.486 -254.15 394.889 -7.96678 -127.045 -86.2816 266.212 PRESSAVG: 3657600 -12.6652 -44.3655 -23.4361 -44.3655 3.20685 -38.3626 -23.4361 -38.3625 1.57787 GPRESSAVG: 3657600 -13.7559 -44.1458 -23.7564 -44.9187 3.2863 -36.4149 -22.8795 -36.7327 2.79683 TIMING: 3657600 CPU: 11623, 0.00312984/step Wall: 11623, 0.00312984/step, 1.16708 hours remaining, 240.808594 MB of memory in use. ENERGY: 3657600 3879.5539 20561.2193 14451.5028 239.4535 -203453.9077 2729.1220 0.0000 0.0000 52100.3493 -109492.7069 299.4214 -161593.0562 -109121.0025 299.8121 297.6657 332.6604 760980.6055 -2.6268 -2.5576 PRESSURE: 3657800 -85.3453 -282.213 49.2755 -282.214 -114.3 -23.8043 49.2765 -23.8038 72.4979 GPRESSURE: 3657800 -31.7303 -207.7 -18.8419 -354.958 -98.9035 -80.0496 -24.9006 -138.689 85.4213 PRESSAVG: 3657800 -3.23217 -41.3834 -4.32697 -41.3835 -1.44182 -79.8196 -4.3269 -79.8195 -4.66539 GPRESSAVG: 3657800 -3.13677 -41.6606 -4.49521 -42.2265 -0.80238 -81.6405 -6.61604 -79.6663 -5.46208 TIMING: 3657800 CPU: 11623.6, 0.00312798/step Wall: 11623.6, 0.00312798/step, 1.16622 hours remaining, 240.808594 MB of memory in use. ENERGY: 3657800 4018.3953 20469.0402 14486.7675 252.3625 -203450.2288 2744.9156 0.0000 0.0000 51963.2912 -109515.4564 298.6337 -161478.7477 -109152.9884 299.5139 -42.3825 -15.0709 760919.0965 -3.1131 -3.1337 PRESSURE: 3658000 284.544 138.28 97.4069 138.281 91.6334 -96.6541 97.4064 -96.6536 -83.0681 GPRESSURE: 3658000 176.119 160.644 98.9344 73.6544 211.569 -107.787 -21.136 -95.3149 5.06836 PRESSAVG: 3658000 -33.588 25.9445 16.7983 25.9444 -10.2136 -16.4133 16.7983 -16.4133 18.4676 GPRESSAVG: 3658000 -34.8778 25.7428 17.1994 26.0142 -10.4766 -14.8079 18.6884 -16.9042 19.7393 TIMING: 3658000 CPU: 11624.3, 0.00314398/step Wall: 11624.3, 0.00314398/step, 1.17201 hours remaining, 240.808594 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: 3658000 3949.1003 20405.8220 14527.2225 246.0299 -203510.4828 2735.2554 0.0000 0.0000 52018.7872 -109628.2655 298.9527 -161647.0527 -109267.8256 299.0161 97.7030 130.9187 761740.1939 -8.4447 -8.5384 PRESSURE: 3658200 -247.272 131.684 -21.2601 131.684 -30.0836 -311.572 -21.2597 -311.573 224.502 GPRESSURE: 3658200 -205.44 184.606 18.9202 158.842 42.014 -331.773 -12.1694 -298.162 195.149 PRESSAVG: 3658200 -5.83625 57.255 43.1997 57.255 -1.72057 -32.0726 43.1998 -32.0727 -12.7531 GPRESSAVG: 3658200 -4.15707 59.4651 43.8036 57.5122 -2.00542 -32.3069 41.4811 -32.4928 -14.6895 TIMING: 3658200 CPU: 11624.9, 0.00313824/step Wall: 11624.9, 0.00313824/step, 1.16969 hours remaining, 240.808594 MB of memory in use. ENERGY: 3658200 3977.1530 20406.0356 14501.2083 242.5278 -203219.6889 2506.3367 0.0000 0.0000 52094.1794 -109492.2480 299.3860 -161586.4274 -109131.8443 299.4478 -17.6178 10.5744 761019.1708 -6.7700 -6.9507 PRESSURE: 3658400 -15.5583 16.6182 107.72 16.6177 -249.279 219.558 107.72 219.558 104.958 GPRESSURE: 3658400 -25.4799 20.4097 111.067 -37.0148 -65.6537 163.653 -108.282 247.63 38.4852 PRESSAVG: 3658400 -8.52774 6.28843 42.0413 6.28847 42.1587 42.2754 42.0413 42.2754 -5.22391 GPRESSAVG: 3658400 -9.78138 5.69133 39.8439 6.7101 41.7424 41.815 43.1218 42.2546 -3.10986 TIMING: 3658400 CPU: 11625.5, 0.00313562/step Wall: 11625.5, 0.00313561/step, 1.16854 hours remaining, 240.808594 MB of memory in use. ENERGY: 3658400 3967.1719 20525.7934 14462.6949 244.6996 -203842.4573 2787.6152 0.0000 0.0000 52271.5276 -109582.9549 300.4052 -161854.4824 -109221.1588 299.6310 -53.2929 -17.5495 759622.0429 9.4690 9.6171 PRESSURE: 3658600 64.9679 59.0721 -297.129 59.0721 -79.3314 45.2955 -297.129 45.295 -25.7596 GPRESSURE: 3658600 59.7448 -37.0899 -241.359 41.905 -30.2157 86.8119 -142.856 -76.4106 26.1281 PRESSAVG: 3658600 -27.4785 21.9535 -5.62934 21.9537 -5.23049 34.9633 -5.62935 34.9634 -5.98362 GPRESSAVG: 3658600 -26.8026 22.0273 -3.60901 21.4799 -3.1665 35.5269 -5.26113 34.5192 -8.30439 TIMING: 3658600 CPU: 11626.1, 0.00313459/step Wall: 11626.1, 0.00313459/step, 1.16798 hours remaining, 240.808594 MB of memory in use. ENERGY: 3658600 4053.9065 20530.6902 14471.8271 226.7991 -203345.0127 2358.8483 0.0000 0.0000 52011.9754 -109690.9661 298.9135 -161702.9415 -109338.3110 299.1320 -13.3743 18.5524 759995.4149 -12.8975 -12.7578 PRESSURE: 3658800 -107.304 177.808 -108.341 177.808 -96.6561 -54.0417 -108.342 -54.0407 25.1025 GPRESSURE: 3658800 -45.4609 237.602 -113.793 123.192 -32.7333 -112.934 28.8232 -31.112 -13.5042 PRESSAVG: 3658800 -50.5312 -8.69148 16.2585 -8.69146 42.022 63.8395 16.2585 63.8396 34.1393 GPRESSAVG: 3658800 -50.1747 -8.20725 16.2184 -6.86871 40.5103 64.6061 16.3092 63.7853 34.6857 TIMING: 3658800 CPU: 11626.8, 0.00314244/step Wall: 11626.8, 0.00314244/step, 1.17073 hours remaining, 240.808594 MB of memory in use. ENERGY: 3658800 3968.1454 20599.1275 14531.2826 228.6640 -203673.3638 2675.3011 0.0000 0.0000 51917.4056 -109753.4377 298.3700 -161670.8433 -109390.4954 298.9252 -59.6192 -30.5661 761756.7861 8.5434 8.3404 PRESSURE: 3659000 -141.497 -152.885 39.1779 -152.885 85.7331 -98.5532 39.1778 -98.553 -54.865 GPRESSURE: 3659000 -147.492 -153.135 60.9254 -23.5662 96.794 -215.484 -23.8918 -80.7719 5.84163 PRESSAVG: 3659000 -46.3089 29.7578 64.0016 29.7579 7.20891 40.7464 64.0015 40.7465 18.5812 GPRESSAVG: 3659000 -46.8613 27.9646 63.0508 28.3308 6.77394 40.3894 63.1037 40.591 18.797 TIMING: 3659000 CPU: 11627.4, 0.00314038/step Wall: 11627.4, 0.00314038/step, 1.16979 hours remaining, 240.808594 MB of memory in use. ENERGY: 3659000 3922.4019 20455.4406 14504.4462 245.9056 -203245.7246 2224.6995 0.0000 0.0000 52007.9434 -109884.8873 298.8904 -161892.8307 -109522.6363 298.4822 -36.8764 -14.9522 763371.3413 -6.8396 -7.0968 PRESSURE: 3659200 18.9946 -88.8935 86.7153 -88.8921 -109.129 60.3889 86.7142 60.389 113.037 GPRESSURE: 3659200 80.6512 -71.79 83.9079 1.30808 -31.3237 54.7085 -49.178 32.0845 55.4043 PRESSAVG: 3659200 -11.8944 -22.8749 34.9349 -22.8749 12.9286 42.6486 34.9349 42.6486 -5.66707 GPRESSAVG: 3659200 -11.6774 -23.6955 34.1146 -20.8795 13.5084 42.4795 36.0321 42.0828 -6.09363 TIMING: 3659200 CPU: 11628, 0.00313565/step Wall: 11628, 0.00313565/step, 1.16786 hours remaining, 240.808594 MB of memory in use. ENERGY: 3659200 3923.7738 20290.0946 14481.2183 227.5060 -203439.9184 2507.3195 0.0000 0.0000 52193.1021 -109816.9042 299.9545 -162010.0062 -109447.5394 298.4456 7.6343 34.9106 762713.0104 -1.5443 -1.4209 PRESSURE: 3659400 -155.217 10.2905 -131.287 10.2904 -233.76 -301.616 -131.286 -301.616 -207.163 GPRESSURE: 3659400 -150.44 2.98285 -229.435 152.303 -209.708 -320.809 -34.9883 -276.708 -171.511 PRESSAVG: 3659400 -19.3875 54.7964 -1.99284 54.7964 40.5372 -10.9984 -1.99285 -10.9984 3.36094 GPRESSAVG: 3659400 -19.5125 55.3624 -1.73093 53.3009 40.4611 -10.6751 -3.73852 -10.3239 3.67113 TIMING: 3659400 CPU: 11628.7, 0.00316985/step Wall: 11628.7, 0.00316985/step, 1.18042 hours remaining, 240.808594 MB of memory in use. ENERGY: 3659400 3990.9210 20681.8747 14497.8315 211.9826 -203409.0097 2395.2372 0.0000 0.0000 51865.4548 -109765.7077 298.0715 -161631.1626 -109397.1727 298.9439 -198.7133 -177.2198 760936.3028 8.1702 8.2066 PRESSURE: 3659600 -260.025 -78.3017 365.085 -78.3016 -150.154 27.421 365.085 27.4213 -349.444 GPRESSURE: 3659600 -201.246 -27.4143 429.97 -46.5059 -137.156 24.2452 334.246 36.4053 -335.074 PRESSAVG: 3659600 -37.1508 1.34669 24.7194 1.34673 29.1314 8.21094 24.7194 8.21099 -28.456 GPRESSAVG: 3659600 -37.167 1.54799 25.0002 2.884 28.3556 6.60684 25.2477 9.99084 -27.5837 TIMING: 3659600 CPU: 11629.3, 0.00312815/step Wall: 11629.3, 0.00312815/step, 1.16472 hours remaining, 240.808594 MB of memory in use. ENERGY: 3659600 3987.2385 20542.6261 14556.9631 257.6554 -203545.6206 2498.8667 0.0000 0.0000 52130.3386 -109571.9323 299.5938 -161702.2708 -109221.0477 299.0417 -253.2079 -224.4918 761567.0571 -12.1585 -12.1317 PRESSURE: 3659800 83.18 -105.058 221.713 -105.058 140.721 362.797 221.714 362.796 -275.974 GPRESSURE: 3659800 217.855 -110.62 261.691 -209.415 151.756 352.337 54.3204 244.357 -307.289 PRESSAVG: 3659800 -20.8338 -39.8569 -15.9276 -39.8569 4.6014 1.01949 -15.9276 1.0194 23.9364 GPRESSAVG: 3659800 -21.6256 -38.7376 -15.8407 -42.416 5.45742 1.26133 -16.3735 -0.371145 23.3857 TIMING: 3659800 CPU: 11629.9, 0.00313202/step Wall: 11629.9, 0.00313202/step, 1.16598 hours remaining, 240.808594 MB of memory in use. ENERGY: 3659800 3991.1963 20442.9340 14437.3867 227.9801 -203755.4299 2938.1231 0.0000 0.0000 51960.8824 -109756.9272 298.6199 -161717.8096 -109393.3500 298.7285 -17.3578 20.7735 761062.0228 2.5680 2.4059 PRESSURE: 3660000 176.806 76.5421 -103.607 76.5426 75.6296 -86.9925 -103.607 -86.9919 -36.2599 GPRESSURE: 3660000 75.5469 77.1611 -140.186 94.6505 185.774 -140.465 -14.9299 -145.134 22.9324 PRESSAVG: 3660000 -8.88701 -9.37635 -2.38599 -9.37635 49.3497 1.65781 -2.38596 1.65773 -0.732478 GPRESSAVG: 3660000 -9.56278 -10.238 -3.28369 -9.58694 49.913 0.945354 -2.65499 0.999979 -0.659382 TIMING: 3660000 CPU: 11630.5, 0.0031353/step Wall: 11630.5, 0.0031353/step, 1.16703 hours remaining, 240.808594 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: 3660000 3880.1749 20574.2639 14551.6935 239.7008 -203750.8536 2851.7315 0.0000 0.0000 51979.5124 -109673.7766 298.7270 -161653.2891 -109308.2649 299.0982 72.0587 94.7511 761492.0104 13.2434 13.2303 PRESSURE: 3660200 112.503 -97.4368 -149.839 -97.4378 32.8266 -71.8274 -149.84 -71.8273 64.7289 GPRESSURE: 3660200 158.741 -3.01329 -66.2276 -141.042 12.019 -12.806 -26.6199 3.27542 111.286 PRESSAVG: 3660200 67.9914 -36.2465 -4.62842 -36.2466 -73.0577 -67.4934 -4.62839 -67.4934 8.80006 GPRESSAVG: 3660200 68.2013 -34.2974 -2.9024 -36.5716 -73.7063 -65.9675 -3.94778 -68.3969 9.44533 TIMING: 3660200 CPU: 11631.2, 0.00315196/step Wall: 11631.2, 0.00315196/step, 1.17306 hours remaining, 240.808594 MB of memory in use. ENERGY: 3660200 4026.0467 20566.5358 14482.3221 252.5861 -203912.0831 2756.9048 0.0000 0.0000 52238.5950 -109589.0927 300.2159 -161827.6876 -109219.3133 299.6239 70.0196 94.0153 759732.5853 1.2446 1.3135 LDB: ============= START OF LOAD BALANCING ============== 11643.6 LDB: ============== END OF LOAD BALANCING =============== 11643.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11643.6 LDB: ============= START OF LOAD BALANCING ============== 11643.9 LDB: Largest compute 7024 load 0.032537 is 16.7% of average load 0.195351 LDB: Average compute 0.004387 is 2.2% of average load 0.195351 LDB: TIME 11643.9 LOAD: AVG 0.195351 MAX 0.212868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 11643.9 LOAD: AVG 0.195351 MAX 0.212868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 11643.9 LOAD: AVG 0.195351 MAX 0.212868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 11643.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11643.9 PRESSURE: 3660400 157.66 248.487 -205.344 248.486 51.5697 82.2595 -205.344 82.2591 199.101 GPRESSURE: 3660400 237.044 218.427 -151.894 234.569 138.98 54.7899 -258.092 65.1415 114.215 PRESSAVG: 3660400 -3.09306 -16.5784 -18.4016 -16.5784 -22.9594 -37.014 -18.4016 -37.0141 -3.6 GPRESSAVG: 3660400 -1.07093 -17.8862 -20.5234 -16.7249 -23.8469 -36.9669 -18.2071 -37.6071 -4.41043 TIMING: 3660400 CPU: 11631.8, 0.00319484/step Wall: 11631.8, 0.00319484/step, 1.18883 hours remaining, 241.378906 MB of memory in use. ENERGY: 3660400 3957.9980 20497.0972 14451.3977 237.1077 -203669.2386 2631.5400 0.0000 0.0000 52235.8605 -109658.2376 300.2002 -161894.0981 -109284.8740 299.2611 136.1102 163.4126 759469.6245 -9.8841 -9.7761 PRESSURE: 3660600 16.2836 -34.0602 -94.7823 -34.061 -74.213 -195.364 -94.7815 -195.365 141.858 GPRESSURE: 3660600 48.7757 -93.24 -74.0318 -11.9553 -35.5269 -203.201 -218.349 -163.417 155.901 PRESSAVG: 3660600 70.5155 6.54899 -7.63362 6.549 -70.6763 -38.4837 -7.63361 -38.4837 14.7373 GPRESSAVG: 3660600 69.2451 6.24012 -6.59761 6.92882 -68.5457 -39.8158 -9.15271 -36.6959 14.7347 TIMING: 3660600 CPU: 11632.4, 0.0031299/step Wall: 11632.4, 0.0031299/step, 1.1645 hours remaining, 241.582031 MB of memory in use. ENERGY: 3660600 3984.7087 20602.8449 14443.0904 254.1276 -203745.3988 2820.6046 0.0000 0.0000 51972.6946 -109667.3281 298.6878 -161640.0227 -109309.2867 299.2013 27.9762 56.3833 760884.4726 4.8588 5.1447 PRESSURE: 3660800 -90.3369 -216.166 195.023 -216.167 -122.025 47.1084 195.023 47.1084 -29.8411 GPRESSURE: 3660800 -136.754 -157.153 200.079 -262.401 -61.8661 -16.5992 184.802 -13.8545 17.8714 PRESSAVG: 3660800 -35.7973 -11.2581 -35.2942 -11.2581 5.30051 -113.891 -35.2941 -113.891 -10.0023 GPRESSAVG: 3660800 -35.5164 -10.9277 -35.5887 -11.5441 3.84046 -113.216 -33.3612 -113.251 -9.08651 TIMING: 3660800 CPU: 11633.1, 0.00313584/step Wall: 11633.1, 0.00313584/step, 1.16653 hours remaining, 241.582031 MB of memory in use. ENERGY: 3660800 3910.5291 20614.7115 14520.4906 243.2640 -203294.4236 2424.0131 0.0000 0.0000 52015.9129 -109565.5023 298.9362 -161581.4152 -109197.6009 299.5111 -80.7344 -60.2496 760283.4096 -13.4997 -13.5875 PRESSURE: 3661000 -103.708 114.716 -187.643 114.716 67.811 -49.7527 -187.644 -49.7536 -157.368 GPRESSURE: 3661000 -10.5522 91.49 -147.212 46.8265 42.2383 -53.5463 -5.13522 -4.37323 -127.263 PRESSAVG: 3661000 -47.5922 -18.0518 4.63014 -18.0518 44.9783 -47.534 4.63017 -47.534 -0.998492 GPRESSAVG: 3661000 -47.7798 -18.6187 5.48648 -16.9162 45.8838 -47.7496 2.19873 -48.5493 -1.82329 TIMING: 3661000 CPU: 11633.7, 0.00312827/step Wall: 11633.7, 0.00312827/step, 1.16354 hours remaining, 241.582031 MB of memory in use. ENERGY: 3661000 4033.1261 20590.3420 14514.6880 272.2521 -203623.9235 2544.6770 0.0000 0.0000 52025.4005 -109643.4376 298.9907 -161668.8381 -109279.3514 299.3427 -64.4218 -31.8589 758997.3966 -1.2041 -1.2398 PRESSURE: 3661200 -279.998 -25.1974 -54.4929 -25.1974 78.9201 -130.029 -54.4921 -130.028 -383.506 GPRESSURE: 3661200 -266.879 179.326 -100.634 -70.7114 69.1619 -113.874 -19.0798 -166.955 -297.702 PRESSAVG: 3661200 -41.0835 18.2724 -20.7977 18.2724 63.646 -11.0123 -20.7977 -11.0124 4.36305 GPRESSAVG: 3661200 -40.9962 19.84 -21.9417 17.4359 64.2376 -10.5039 -21.2322 -10.5449 4.29512 TIMING: 3661200 CPU: 11634.3, 0.00313204/step Wall: 11634.3, 0.00313203/step, 1.16477 hours remaining, 241.582031 MB of memory in use. ENERGY: 3661200 3992.7715 20502.2205 14453.4365 265.6572 -203443.8344 2542.2929 0.0000 0.0000 52165.0859 -109522.3700 299.7935 -161687.4560 -109150.4785 299.4408 -194.8616 -165.1396 761265.0746 8.9752 9.1789 PRESSURE: 3661400 343.231 -98.9843 21.0753 -98.9841 114.806 17.923 21.0746 17.9231 93.344 GPRESSURE: 3661400 389.44 -122.895 7.69757 7.95935 83.8229 91.756 165.736 -13.9249 142.342 PRESSAVG: 3661400 -27.6157 -13.6333 -7.44343 -13.6333 52.9099 -19.4993 -7.44343 -19.4993 -13.8974 GPRESSAVG: 3661400 -27.4854 -14.2163 -8.07915 -15.3647 52.047 -19.0694 -3.68017 -19.7561 -13.2897 TIMING: 3661400 CPU: 11634.9, 0.00314939/step Wall: 11634.9, 0.00314939/step, 1.17105 hours remaining, 241.582031 MB of memory in use. ENERGY: 3661400 3924.5762 20637.0005 14432.1310 242.3348 -203363.2471 2526.4432 0.0000 0.0000 52048.2232 -109552.5383 299.1219 -161600.7615 -109185.8819 299.4775 183.7937 205.2013 759430.7691 3.7990 3.7573 PRESSURE: 3661600 93.2941 125.118 -28.8483 125.118 184.684 -45.201 -28.8486 -45.2007 152.158 GPRESSURE: 3661600 52.9422 136.837 -31.4808 196.959 257.789 62.2109 114.054 -0.745836 219.084 PRESSAVG: 3661600 -20.4831 -4.60874 29.5109 -4.60878 0.000237052 30.7527 29.5108 30.7527 7.31747 GPRESSAVG: 3661600 -19.6355 -5.33112 32.2158 -1.6478 -0.812547 31.7739 29.0639 29.2939 7.76546 TIMING: 3661600 CPU: 11635.6, 0.00312106/step Wall: 11635.6, 0.00312106/step, 1.16034 hours remaining, 241.582031 MB of memory in use. ENERGY: 3661600 4013.4300 20449.7401 14450.3722 230.4250 -203562.9931 2717.0219 0.0000 0.0000 51940.3986 -109761.6053 298.5022 -161702.0039 -109389.6683 298.8015 143.3785 176.6048 761055.5215 -4.3885 -4.2275 PRESSURE: 3661800 353.685 -71.1404 39.5166 -71.141 117.567 196.701 39.5164 196.701 228.892 GPRESSURE: 3661800 303.107 -43.2962 57.584 -85.4274 263.013 207.596 -22.6446 217.957 215.121 PRESSAVG: 3661800 1.03757 6.61402 -14.5931 6.61394 -10.3976 14.3936 -14.5931 14.3936 27.9668 GPRESSAVG: 3661800 -0.0678896 6.28741 -17.288 5.22305 -8.21172 13.2955 -16.3915 15.1924 27.2352 TIMING: 3661800 CPU: 11636.2, 0.00314768/step Wall: 11636.2, 0.00314767/step, 1.17006 hours remaining, 241.582031 MB of memory in use. ENERGY: 3661800 3976.0512 20364.5858 14394.1323 250.9874 -203708.9158 2853.9321 0.0000 0.0000 52062.9704 -109806.2567 299.2066 -161869.2271 -109446.2241 298.6376 233.3815 260.4136 760111.8022 6.2023 6.3185 PRESSURE: 3662000 296.292 131.827 -177.12 131.828 293.532 373.576 -177.12 373.575 54.8603 GPRESSURE: 3662000 280.509 36.4826 -230.412 119.175 345.221 312.813 -111.673 269.798 129.91 PRESSAVG: 3662000 21.9395 5.16916 -28.8234 5.16912 -14.9477 33.6799 -28.8234 33.6799 -6.41968 GPRESSAVG: 3662000 23.2843 4.56363 -26.1922 6.54569 -16.0279 33.1332 -27.454 33.4283 -6.78066 TIMING: 3662000 CPU: 11636.8, 0.00315109/step Wall: 11636.8, 0.00315109/step, 1.17115 hours remaining, 241.582031 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: 3662000 3971.3942 20371.0849 14452.9192 241.4983 -203310.5875 2536.1338 0.0000 0.0000 51908.7629 -109828.7942 298.3204 -161737.5571 -109458.5561 298.8715 214.8946 251.8800 760118.7801 0.1907 0.1586 PRESSURE: 3662200 108.301 -191.249 92.2668 -191.25 -153.766 179.117 92.2677 179.117 158.386 GPRESSURE: 3662200 240.771 -231.831 60.3675 -2.73309 -225.906 313.723 -8.55544 166 178.283 PRESSAVG: 3662200 39.2578 -27.6285 3.56366 -27.6286 -45.1995 60.2401 3.56374 60.2401 -13.8447 GPRESSAVG: 3662200 39.8818 -27.3551 1.49073 -27.2881 -46.1028 61.6279 2.00559 59.8717 -13.577 TIMING: 3662200 CPU: 11637.5, 0.00316888/step Wall: 11637.5, 0.00316888/step, 1.17759 hours remaining, 241.582031 MB of memory in use. ENERGY: 3662200 3929.6644 20510.8627 14372.5171 235.1148 -203088.6664 2525.1706 0.0000 0.0000 51678.8375 -109836.4995 296.9990 -161515.3369 -109476.0334 298.1225 37.6401 64.3825 762284.8089 -6.5955 -6.5993 PRESSURE: 3662400 -168.306 -55.9233 -207.167 -55.9245 40.9607 0.786238 -207.166 0.787125 -71.6028 GPRESSURE: 3662400 -109.814 5.73665 -230.547 2.57132 77.4942 -18.878 -53.0544 -26.6219 -79.1386 PRESSAVG: 3662400 31.4037 -18.2231 10.0919 -18.2231 -20.4482 22.3886 10.0919 22.3886 -4.38896 GPRESSAVG: 3662400 30.2623 -19.1777 10.686 -18.1966 -19.8737 21.7742 11.0152 23.9262 -3.75822 TIMING: 3662400 CPU: 11638.1, 0.00316311/step Wall: 11638.1, 0.00316311/step, 1.17527 hours remaining, 241.582031 MB of memory in use. ENERGY: 3662400 4005.0390 20422.1810 14510.1816 244.5699 -203341.9992 2748.4764 0.0000 0.0000 51846.2417 -109565.3095 297.9611 -161411.5512 -109205.2926 298.5035 -66.3161 -37.1527 761968.1880 2.1889 2.2101 PRESSURE: 3662600 315.047 -141.73 -25.7165 -141.73 224.271 -329.362 -25.7161 -329.363 142.372 GPRESSURE: 3662600 303.592 -99.0695 82.9256 -185.041 220.766 -326.7 -33.0242 -377.438 236.881 PRESSAVG: 3662600 -34.6607 7.82094 9.31238 7.82101 60.9963 -12.7504 9.31238 -12.7503 -10.9243 GPRESSAVG: 3662600 -33.8505 8.40755 10.7458 6.91231 60.8713 -14.4152 9.18939 -14.8404 -11.7586 TIMING: 3662600 CPU: 11638.7, 0.00317288/step Wall: 11638.7, 0.00317288/step, 1.17872 hours remaining, 241.582031 MB of memory in use. ENERGY: 3662600 3881.4082 20453.7895 14520.3787 245.2414 -203637.6195 2744.3091 0.0000 0.0000 51992.3089 -109800.1836 298.8005 -161792.4925 -109440.1913 298.7250 227.2298 253.7462 761969.0400 5.1371 5.0874 PRESSURE: 3662800 -41.7766 206.851 78.5387 206.85 126.462 185.633 78.5392 185.634 -98.4239 GPRESSURE: 3662800 -2.07116 257.075 107.719 97.9852 95.9883 17.5857 -37.9921 110.651 -8.64761 PRESSAVG: 3662800 38.9408 -19.1264 -7.47814 -19.1264 -40.4068 48.3804 -7.47813 48.3803 15.3867 GPRESSAVG: 3662800 39.0239 -19.8438 -8.30438 -20.2391 -41.1577 49.2524 -8.11841 48.3699 16.1917 TIMING: 3662800 CPU: 11639.4, 0.00314898/step Wall: 11639.4, 0.00314898/step, 1.16967 hours remaining, 241.582031 MB of memory in use. ENERGY: 3662800 4040.5138 20431.1772 14458.3994 231.4718 -203216.2192 2514.4192 0.0000 0.0000 51754.4355 -109785.8024 297.4335 -161540.2379 -109443.3697 298.4814 -4.5794 28.4232 759939.3147 4.6402 4.6860 PRESSURE: 3663000 -180.895 133.279 81.1825 133.279 155.985 -70.0969 81.1815 -70.0954 -69.6876 GPRESSURE: 3663000 -54.7715 114.878 83.1764 211.887 117.505 -67.5308 153.747 -24.3013 -60.3734 PRESSAVG: 3663000 6.95327 7.48535 -18.2605 7.48541 -5.2767 -51.505 -18.2605 -51.505 -32.17 GPRESSAVG: 3663000 6.72757 9.29272 -19.3482 6.28092 -4.47792 -51.1233 -16.6555 -49.9142 -32.8397 TIMING: 3663000 CPU: 11640, 0.00311302/step Wall: 11640, 0.00311302/step, 1.15614 hours remaining, 241.582031 MB of memory in use. ENERGY: 3663000 3901.0365 20600.4410 14467.1065 242.4274 -203405.8601 2291.0879 0.0000 0.0000 52020.9280 -109882.8329 298.9650 -161903.7610 -109514.6256 298.5326 -31.5325 0.7867 759674.1812 -10.1645 -10.1967 PRESSURE: 3663200 198.256 -117.584 35.7046 -117.584 35.0184 302.907 35.7052 302.906 254.861 GPRESSURE: 3663200 179.318 -44.8237 39.5097 -107.107 76.2266 289.455 -90.9873 170.123 303.777 PRESSAVG: 3663200 7.30999 48.1078 27.5639 48.1077 22.233 -9.70133 27.5638 -9.70132 0.690473 GPRESSAVG: 3663200 6.04236 48.6585 27.6685 48.2572 22.8178 -8.50938 26.3022 -9.98206 1.34743 TIMING: 3663200 CPU: 11640.6, 0.00311768/step Wall: 11640.6, 0.00311768/step, 1.1577 hours remaining, 241.582031 MB of memory in use. ENERGY: 3663200 3969.8775 20384.5980 14507.9659 224.0338 -203652.2933 2760.9295 0.0000 0.0000 51864.3221 -109940.5666 298.0650 -161804.8887 -109581.7550 298.5727 162.7118 186.4405 759254.8660 10.0778 10.0692 PRESSURE: 3663400 -92.3109 -71.0757 -72.7885 -71.0764 112.074 243.798 -72.7888 243.797 -363.297 GPRESSURE: 3663400 -100.829 -236.095 18.7877 31.7696 211.162 250.999 -11.0896 159.705 -381.999 PRESSAVG: 3663400 -0.454553 -16.0457 44.5409 -16.0457 -27.2185 55.4353 44.5409 55.4354 -4.79749 GPRESSAVG: 3663400 -0.293756 -17.2951 44.7369 -13.0874 -27.5093 53.5857 44.0658 53.4567 -4.61349 TIMING: 3663400 CPU: 11641.2, 0.00315199/step Wall: 11641.2, 0.00315199/step, 1.17026 hours remaining, 241.582031 MB of memory in use. ENERGY: 3663400 3933.2799 20523.8806 14376.1077 250.4136 -203605.3870 2479.4330 0.0000 0.0000 52199.3767 -109842.8954 299.9905 -162042.2721 -109489.8613 298.4436 -114.5114 -90.5551 758790.0411 -10.8235 -10.8055 PRESSURE: 3663600 10.1632 58.2138 63.3763 58.2138 -8.64048 -16.0759 63.3762 -16.0768 12.4488 GPRESSURE: 3663600 66.4908 -58.3671 107.044 52.8632 8.97491 33.0569 -23.3112 56.9379 42.3576 PRESSAVG: 3663600 9.82555 -34.1276 33.5396 -34.1276 25.8444 7.13053 33.5396 7.13049 1.74377 GPRESSAVG: 3663600 12.2945 -35.1985 33.3768 -34.5691 24.0285 7.637 33.9362 9.32572 1.32965 TIMING: 3663600 CPU: 11641.9, 0.00313402/step Wall: 11641.9, 0.00313402/step, 1.16342 hours remaining, 241.582031 MB of memory in use. ENERGY: 3663600 4010.9458 20398.5138 14498.5182 255.4758 -203723.1944 2504.0218 0.0000 0.0000 52349.7400 -109705.9790 300.8547 -162055.7190 -109346.0577 299.1524 4.6572 39.2744 757615.0927 12.4712 12.5509 PRESSURE: 3663800 37.0589 256.606 -95.6524 256.605 -42.7376 -146.122 -95.6522 -146.121 -75.4883 GPRESSURE: 3663800 -15.8988 153.417 -137.609 238.109 -17.9915 -137.404 -184.95 -180.658 64.1594 PRESSAVG: 3663800 12.4363 -13.6486 -5.44878 -13.6486 -65.8565 9.60536 -5.44882 9.60537 20.4809 GPRESSAVG: 3663800 10.2632 -12.7237 -5.49593 -15.8066 -64.7527 8.89314 -6.65605 7.22016 21.3605 TIMING: 3663800 CPU: 11642.5, 0.00312748/step Wall: 11642.5, 0.00312748/step, 1.16082 hours remaining, 241.582031 MB of memory in use. ENERGY: 3663800 3992.8486 20625.9366 14442.0263 231.2809 -203405.3415 2450.2484 0.0000 0.0000 51897.6546 -109765.3461 298.2565 -161663.0007 -109400.2206 298.7590 -27.0556 10.0897 758644.7280 -10.9798 -11.0430 PRESSURE: 3664000 208.318 100.366 250.185 100.367 -17.227 132.321 250.185 132.32 -61.1399 GPRESSURE: 3664000 209.649 -14.6977 268.541 -90.9923 9.43817 179.21 397.701 106.107 30.0555 PRESSAVG: 3664000 25.7908 17.7967 3.17379 17.7967 -24.0271 -4.07469 3.17383 -4.07458 13.0371 GPRESSAVG: 3664000 25.8077 18.0236 3.89553 18.6332 -23.4153 -3.30739 3.64676 -1.60121 12.7139 TIMING: 3664000 CPU: 11643.1, 0.00311607/step Wall: 11643.1, 0.00311607/step, 1.15641 hours remaining, 241.582031 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: 3664000 3999.5238 20430.5249 14466.8657 258.8762 -203595.4568 2865.9892 0.0000 0.0000 52033.9364 -109539.7406 299.0397 -161573.6770 -109174.8696 299.1782 43.3172 83.0475 761131.0853 4.9336 5.0354 PRESSURE: 3664200 -119.854 -119.417 -210.305 -119.417 -206.062 4.02513 -210.305 4.02583 27.0515 GPRESSURE: 3664200 -25.0004 -166.979 -236.81 -107.726 -208.719 83.222 -152.874 82.0888 29.0575 PRESSAVG: 3664200 63.3201 -0.937081 5.22737 -0.937099 -35.3491 32.0958 5.22734 32.0957 19.3852 GPRESSAVG: 3664200 63.191 -1.94529 3.98301 -0.481885 -35.3519 30.9588 6.10757 32.3423 19.319 TIMING: 3664200 CPU: 11643.7, 0.00312014/step Wall: 11643.7, 0.00312014/step, 1.15775 hours remaining, 241.582031 MB of memory in use. ENERGY: 3664200 3967.1650 20507.2192 14524.2511 257.3675 -203581.2384 2511.6754 0.0000 0.0000 52100.1487 -109713.4114 299.4203 -161813.5601 -109348.4839 298.9521 -99.6216 -68.2205 761682.9670 15.7854 15.7193 LDB: ============= START OF LOAD BALANCING ============== 11656.2 LDB: ============== END OF LOAD BALANCING =============== 11656.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11656.2 LDB: ============= START OF LOAD BALANCING ============== 11656.5 LDB: Largest compute 7070 load 0.033131 is 17.0% of average load 0.195226 LDB: Average compute 0.004406 is 2.3% of average load 0.195226 LDB: TIME 11656.5 LOAD: AVG 0.195226 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.16 MB LDB: TIME 11656.5 LOAD: AVG 0.195226 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.359 MB LDB: TIME 11656.5 LOAD: AVG 0.195226 MAX 0.21374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.359 MB LDB: ============== END OF LOAD BALANCING =============== 11656.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11656.5 PRESSURE: 3664400 -106.28 157.86 216.038 157.861 -138.519 231.036 216.039 231.036 -21.6413 GPRESSURE: 3664400 7.78965 156.755 110.911 177.38 -162.738 278.212 148.484 116.663 -28.7336 PRESSAVG: 3664400 52.3825 5.39483 -3.24245 5.39482 -33.6311 -7.10334 -3.24253 -7.10333 -17.284 GPRESSAVG: 3664400 52.9666 6.99433 -1.39167 5.20944 -34.1718 -5.13384 -4.85777 -9.21382 -17.2891 TIMING: 3664400 CPU: 11644.4, 0.00317488/step Wall: 11644.4, 0.00317488/step, 1.17788 hours remaining, 239.855469 MB of memory in use. ENERGY: 3664400 3964.1214 20582.2159 14469.5949 269.5638 -203175.2445 2197.1225 0.0000 0.0000 52115.3221 -109577.3039 299.5075 -161692.6260 -109211.9046 299.2320 -88.8136 -61.2274 759899.1078 0.4892 0.5019 PRESSURE: 3664600 -326.329 -163.756 133.42 -163.757 -489.277 28.6879 133.42 28.687 -64.5926 GPRESSURE: 3664600 -315.734 -61.6143 40.3808 -217.951 -410.946 -52.8024 45.9038 134.934 -69.0067 PRESSAVG: 3664600 -27.3398 -22.1895 -60.1945 -22.1895 15.356 -5.91684 -60.1945 -5.91689 22.8908 GPRESSAVG: 3664600 -28.5571 -23.5609 -61.4452 -20.4882 16.8322 -7.77657 -60.7457 -6.63278 22.3185 TIMING: 3664600 CPU: 11645, 0.00311317/step Wall: 11645, 0.00311317/step, 1.15481 hours remaining, 239.855469 MB of memory in use. ENERGY: 3664600 4056.6275 20522.7273 14526.4510 246.8522 -203722.2097 2560.6805 0.0000 0.0000 52317.4926 -109491.3786 300.6693 -161808.8712 -109118.4132 299.3527 -293.3992 -265.2289 762381.4521 3.6357 3.5312 PRESSURE: 3664800 -356.204 40.9863 150.87 40.9855 -288.678 -263.437 150.87 -263.436 -424.256 GPRESSURE: 3664800 -298.898 12.9171 114.434 -18.402 -279.846 -149.704 51.0661 -283.353 -402.72 PRESSAVG: 3664800 -8.49852 -42.9145 -13.2137 -42.9145 -16.6689 4.7654 -13.2137 4.76545 2.86462 GPRESSAVG: 3664800 -8.82155 -40.6785 -12.656 -44.4036 -17.0578 5.67354 -11.6191 7.87251 3.72309 TIMING: 3664800 CPU: 11645.6, 0.0031292/step Wall: 11645.6, 0.0031292/step, 1.16059 hours remaining, 239.855469 MB of memory in use. ENERGY: 3664800 4064.6816 20452.1894 14502.4626 251.1646 -203526.5999 2479.8659 0.0000 0.0000 52215.4551 -109560.7808 300.0829 -161776.2359 -109196.7661 299.3027 -356.3793 -327.1547 762985.1681 -7.4343 -7.3854 PRESSURE: 3665000 -273.774 -296.815 -237.038 -296.815 -39.9227 -130.409 -237.037 -130.41 294.713 GPRESSURE: 3665000 -123.131 -199.071 -127.244 -249.416 -0.278288 -158.149 -289.947 -70.6576 209.21 PRESSAVG: 3665000 52.3252 -15.3056 -13.809 -15.3056 -4.65341 -52.4251 -13.8091 -52.4251 10.088 GPRESSAVG: 3665000 53.4932 -17.9755 -12.9887 -13.7597 -5.30254 -53.3072 -15.0751 -52.0265 9.84528 TIMING: 3665000 CPU: 11646.2, 0.00312308/step Wall: 11646.2, 0.00312308/step, 1.15814 hours remaining, 239.855469 MB of memory in use. ENERGY: 3665000 4054.5691 20561.3863 14431.0249 237.8888 -203556.7444 2639.2124 0.0000 0.0000 52197.3399 -109435.3229 299.9788 -161632.6628 -109078.4315 299.4577 -6.3276 28.6003 762712.3135 19.2533 19.3453 PRESSURE: 3665200 -29.3401 -5.81126 180.031 -5.81157 -17.4043 -40.8736 180.03 -40.8728 -104.319 GPRESSURE: 3665200 49.5608 -39.6773 141.039 -23.8503 -73.305 -32.6423 171.522 -28.0618 -58.2768 PRESSAVG: 3665200 80.65 5.42172 41.8441 5.42169 -44.8994 31.2915 41.844 31.2915 10.3778 GPRESSAVG: 3665200 80.4249 9.19306 42.0137 1.62701 -45.2343 31.6866 42.3302 29.6554 10.4593 TIMING: 3665200 CPU: 11646.9, 0.00312073/step Wall: 11646.9, 0.00312073/step, 1.1571 hours remaining, 239.855469 MB of memory in use. ENERGY: 3665200 4040.2030 20479.7234 14543.4695 251.6752 -203599.0034 2645.0010 0.0000 0.0000 51931.3676 -109707.5637 298.4503 -161638.9313 -109345.5426 299.4098 -50.3544 -27.3403 761352.1866 15.3761 15.2166 PRESSURE: 3665400 -98.5138 29.3117 94.7651 29.3105 191.788 -184.274 94.7645 -184.275 -459.319 GPRESSURE: 3665400 -92.3299 55.3649 -29.1698 -90.6662 269.295 -163.518 44.8891 -138.471 -459.357 PRESSAVG: 3665400 13.3454 -2.18029 14.7004 -2.18034 1.53984 -24.3138 14.7003 -24.3138 -21.4023 GPRESSAVG: 3665400 14.0954 -6.77664 11.3992 3.06783 0.985946 -23.5816 15.657 -24.3079 -21.4796 TIMING: 3665400 CPU: 11647.5, 0.00312311/step Wall: 11647.5, 0.00312311/step, 1.15781 hours remaining, 239.855469 MB of memory in use. ENERGY: 3665400 4037.6138 20425.0484 14506.8459 254.6960 -203350.7410 2519.8695 0.0000 0.0000 52029.8141 -109576.8532 299.0161 -161606.6674 -109217.2508 299.3361 -122.0151 -94.1307 762308.2670 -2.1724 -2.1327 PRESSURE: 3665600 45.2705 136.469 -18.8998 136.47 -8.9111 -3.4268 -18.8999 -3.42654 214.754 GPRESSURE: 3665600 106.342 3.05808 30.4806 138.914 24.311 60.7076 -41.4565 41.539 199.796 PRESSAVG: 3665600 2.26119 -15.5887 -4.04122 -15.5886 -51.0669 -18.6512 -4.04114 -18.6512 -17.9674 GPRESSAVG: 3665600 3.33359 -14.3736 -2.25752 -17.3041 -51.0266 -19.3006 -4.81063 -18.1844 -18.41 TIMING: 3665600 CPU: 11648.1, 0.00310721/step Wall: 11648.1, 0.00310721/step, 1.15174 hours remaining, 239.855469 MB of memory in use. ENERGY: 3665600 3948.3388 20583.9945 14443.2333 249.3825 -203760.2294 2585.5513 0.0000 0.0000 52276.9038 -109672.8252 300.4361 -161949.7290 -109309.3168 299.0660 83.7045 110.1496 760476.4958 -22.2577 -22.0343 PRESSURE: 3665800 87.1125 283.997 227.348 283.998 -64.8032 22.4628 227.349 22.4637 -59.9497 GPRESSURE: 3665800 55.5432 254.352 194.326 326.644 -42.5325 -1.60741 316.216 -18.7121 31.2039 PRESSAVG: 3665800 2.36373 -4.7637 31.7495 -4.76366 34.0911 21.9414 31.7495 21.9414 6.21961 GPRESSAVG: 3665800 1.0013 -4.59397 33.4139 -5.81802 33.3748 20.6451 31.4546 19.9886 8.23642 TIMING: 3665800 CPU: 11648.7, 0.00312283/step Wall: 11648.7, 0.00312283/step, 1.15735 hours remaining, 239.855469 MB of memory in use. ENERGY: 3665800 4060.1138 20404.6391 14456.1230 255.1862 -203601.0729 2574.5311 0.0000 0.0000 52083.3108 -109767.1690 299.3235 -161850.4798 -109416.5952 298.7604 -12.5468 14.7382 760092.4656 14.2248 14.2042 PRESSURE: 3666000 55.413 4.13519 262.66 4.1355 -75.4092 -82.8765 262.661 -82.876 140.648 GPRESSURE: 3666000 151.712 -16.0935 288.655 30.9788 -3.61805 -31.105 147.572 -53.948 60.1449 PRESSAVG: 3666000 15.976 -14.7129 13.4971 -14.7129 -14.9711 -32.8822 13.4971 -32.8822 -10.5423 GPRESSAVG: 3666000 15.2024 -15.5342 13.7051 -14.3235 -13.5517 -30.7986 11.0045 -31.9658 -10.8377 TIMING: 3666000 CPU: 11649.4, 0.0031233/step Wall: 11649.4, 0.0031233/step, 1.15736 hours remaining, 239.855469 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: 3666000 3974.8030 20421.5455 14441.5480 273.9092 -203346.7115 2473.9624 0.0000 0.0000 52097.1734 -109663.7699 299.4032 -161760.9433 -109295.8999 298.6574 40.2174 69.4128 760468.9708 -3.1791 -3.0623 PRESSURE: 3666200 -266.107 -108.353 140.335 -108.352 -212.506 -48.3538 140.335 -48.3553 -255.659 GPRESSURE: 3666200 -219.783 -54.2801 133.228 -145.8 -165.648 21.2252 207.333 -23.1022 -279.318 PRESSAVG: 3666200 16.3617 -1.21456 67.4854 -1.21463 4.30011 -48.2179 67.4854 -48.2179 -3.07591 GPRESSAVG: 3666200 18.5376 1.05903 66.2606 -0.801966 4.12883 -50.0543 70.857 -46.3231 -4.54895 TIMING: 3666200 CPU: 11650, 0.00312482/step Wall: 11650, 0.00312482/step, 1.15774 hours remaining, 239.855469 MB of memory in use. ENERGY: 3666200 4004.6244 20599.3844 14457.7346 232.3358 -202825.6522 2017.3803 0.0000 0.0000 51928.8682 -109585.3246 298.4359 -161514.1928 -109222.9210 299.4066 -244.7575 -221.5829 761896.6292 5.8620 6.0392 PRESSURE: 3666400 -41.2162 10.0697 63.5326 10.0708 200.461 -29.7044 63.533 -29.7033 30.7572 GPRESSURE: 3666400 41.1263 88.5547 33.0166 -142.891 192.285 39.249 135.089 21.5128 27.2321 PRESSAVG: 3666400 -23.4701 -39.7096 3.02 -39.7096 37.4985 42.3076 3.02008 42.3076 -31.5466 GPRESSAVG: 3666400 -23.6825 -41.4412 4.80996 -39.7474 36.8289 44.2773 2.00534 39.6982 -31.0565 TIMING: 3666400 CPU: 11650.6, 0.00310903/step Wall: 11650.6, 0.00310903/step, 1.15172 hours remaining, 239.855469 MB of memory in use. ENERGY: 3666400 3993.4227 20543.8027 14462.1496 243.7902 -203269.7229 2292.7446 0.0000 0.0000 52355.7057 -109378.1073 300.8890 -161733.8131 -109008.1805 299.8223 63.3341 86.8810 760308.6483 -5.8394 -5.9700 PRESSURE: 3666600 336.047 9.42093 -48.3317 9.42158 232.994 -1.95732 -48.3327 -1.95814 126.763 GPRESSURE: 3666600 403.337 -18.7495 -52.9427 97.9229 315.018 45.1408 -144.073 55.8036 63.2948 PRESSAVG: 3666600 19.5341 -1.64686 -54.0331 -1.64687 6.70504 37.3268 -54.0331 37.3267 52.4835 GPRESSAVG: 3666600 19.3941 -1.06007 -56.2971 -2.8536 6.87818 36.6684 -51.3745 37.6181 52.3658 TIMING: 3666600 CPU: 11651.2, 0.00312355/step Wall: 11651.2, 0.00312355/step, 1.15693 hours remaining, 239.855469 MB of memory in use. ENERGY: 3666600 3978.7869 20497.9370 14415.8605 262.1593 -203311.7594 2582.8686 0.0000 0.0000 51985.9443 -109588.2030 298.7639 -161574.1472 -109229.7760 300.0008 231.9348 260.5499 759629.6275 26.2409 26.2127 PRESSURE: 3666800 103.327 100.453 164.055 100.453 130.558 -125.428 164.055 -125.428 125.789 GPRESSURE: 3666800 94.7544 145.843 58.5727 96.0438 207.073 -168.633 191.953 -2.08085 151.787 PRESSAVG: 3666800 31.7173 -1.17179 -18.0905 -1.17178 4.3265 -6.94847 -18.0905 -6.94849 -16.5608 GPRESSAVG: 3666800 32.3342 -3.21156 -17.7459 0.121673 4.0966 -6.78922 -19.6997 -6.69554 -16.7752 TIMING: 3666800 CPU: 11651.9, 0.00313549/step Wall: 11651.9, 0.00313549/step, 1.16118 hours remaining, 239.855469 MB of memory in use. ENERGY: 3666800 3995.1488 20509.7089 14332.9719 233.7231 -203506.8926 2526.7073 0.0000 0.0000 52074.6658 -109833.9668 299.2738 -161908.6327 -109462.8409 299.3984 119.8915 151.2046 758945.6902 6.4943 6.5518 PRESSURE: 3667000 -140.399 -38.8322 -28.4894 -38.8312 187.844 32.7131 -28.4899 32.713 -166.919 GPRESSURE: 3667000 -80.1795 -22.0454 -80.8931 -65.3093 165.216 54.9001 -45.6562 25.9277 -126.367 PRESSAVG: 3667000 -1.49373 0.734295 8.35162 0.734278 11.1389 -62.9392 8.35166 -62.9391 -2.43026 GPRESSAVG: 3667000 -1.67552 3.85927 9.56966 -2.45853 10.5584 -62.993 9.419 -63.6761 -1.12701 TIMING: 3667000 CPU: 11652.5, 0.00313875/step Wall: 11652.5, 0.00313875/step, 1.16221 hours remaining, 239.855469 MB of memory in use. ENERGY: 3667000 3988.3524 20410.9961 14428.9510 233.6695 -203575.8720 2535.3157 0.0000 0.0000 52189.4022 -109789.1852 299.9332 -161978.5874 -109438.4801 299.0530 -39.8246 -13.7767 760087.6975 2.4050 2.5853 PRESSURE: 3667200 42.5976 20.8433 16.533 20.8432 -279.046 -2.59441 16.5312 -2.59503 -235.428 GPRESSURE: 3667200 4.65645 -53.8614 10.6933 -8.79034 -230.741 -99.6318 20.4448 164.221 -178.582 PRESSAVG: 3667200 48.984 -14.8892 51.4304 -14.8891 -46.3003 -40.8636 51.4303 -40.8636 7.31079 GPRESSAVG: 3667200 47.8245 -17.2858 49.7403 -11.9298 -43.6706 -40.4909 49.0718 -40.2556 5.86281 TIMING: 3667200 CPU: 11653.1, 0.00313378/step Wall: 11653.1, 0.00313378/step, 1.1602 hours remaining, 239.855469 MB of memory in use. ENERGY: 3667200 4074.6026 20487.5749 14406.3791 233.4852 -203576.5249 2746.0259 0.0000 0.0000 51805.3910 -109823.0662 297.7263 -161628.4572 -109462.0469 298.7399 -157.2921 -134.8888 760638.9026 3.3315 3.3389 PRESSURE: 3667400 107.108 -52.8229 57.0758 -52.8231 -92.665 39.7493 57.0755 39.7496 -286.579 GPRESSURE: 3667400 203.615 -168.808 82.1106 -72.0254 -23.9253 -19.8663 136.386 76.0973 -361.847 PRESSAVG: 3667400 90.0126 -40.3601 54.3573 -40.3601 -67.6567 24.9788 54.3574 24.9788 -8.20828 GPRESSAVG: 3667400 90.9049 -39.7801 54.8748 -41.3499 -69.0573 25.1194 56.9332 26.3644 -7.6398 TIMING: 3667400 CPU: 11653.7, 0.00312584/step Wall: 11653.7, 0.00312584/step, 1.15708 hours remaining, 239.855469 MB of memory in use. ENERGY: 3667400 3986.2570 20434.6036 14359.1998 243.6447 -203587.3457 2588.0046 0.0000 0.0000 52599.9803 -109375.6557 302.2928 -161975.6360 -108998.5237 299.0188 -90.7120 -60.7190 760721.0727 4.7159 4.7359 PRESSURE: 3667600 130.238 29.0827 157.121 29.0828 284.939 -21.6915 157.12 -21.691 -540.358 GPRESSURE: 3667600 226.205 19.2286 81.9362 83.1707 202.113 15.298 43.1738 -100.602 -435.699 PRESSAVG: 3667600 74.393 2.29522 38.4205 2.29526 -55.0905 25.3687 38.4205 25.3687 7.22845 GPRESSAVG: 3667600 74.7633 1.10686 38.3633 1.79026 -55.6894 25.3184 36.3463 25.663 7.98727 TIMING: 3667600 CPU: 11654.4, 0.00312998/step Wall: 11654.4, 0.00312998/step, 1.15844 hours remaining, 239.855469 MB of memory in use. ENERGY: 3667600 4028.3789 20421.8677 14450.2121 224.9067 -203168.0139 2398.0743 0.0000 0.0000 52124.2686 -109520.3055 299.5589 -161644.5741 -109160.1126 299.6466 -41.7270 -2.4606 760213.4167 8.8437 9.0204 PRESSURE: 3667800 27.6658 -174.216 -76.1681 -174.216 -7.61251 -50.4508 -76.1677 -50.4507 330.936 GPRESSURE: 3667800 84.9985 -229.567 -192.584 -134.268 60.9127 -38.6781 -85.7118 -10.207 299.854 PRESSAVG: 3667800 58.1046 40.2155 -11.3581 40.2155 -83.5731 43.1204 -11.3581 43.1205 28.8881 GPRESSAVG: 3667800 56.9379 42.5156 -11.9946 40.5837 -81.9692 41.9309 -11.2302 43.7502 28.6603 TIMING: 3667800 CPU: 11655, 0.00313126/step Wall: 11655, 0.00313126/step, 1.15874 hours remaining, 239.855469 MB of memory in use. ENERGY: 3667800 3980.8407 20503.4755 14387.1913 254.5753 -203185.3819 2400.4662 0.0000 0.0000 52017.6253 -109641.2076 298.9460 -161658.8329 -109280.1733 299.6369 116.9963 148.5885 759242.5607 1.1399 1.2097 PRESSURE: 3668000 -332.079 161.918 217.555 161.918 -484.574 55.1114 217.555 55.1116 -445.821 GPRESSURE: 3668000 -380.353 10.5455 233.832 98.5083 -434.485 64.0793 128.407 -23.8192 -369.347 PRESSAVG: 3668000 17.2789 31.6477 -17.2845 31.6478 -54.5998 35.6062 -17.2846 35.6061 -5.85311 GPRESSAVG: 3668000 17.6948 31.306 -18.1012 32.1443 -54.7649 37.1486 -14.647 33.5144 -6.54936 TIMING: 3668000 CPU: 11655.6, 0.00311756/step Wall: 11655.6, 0.00311756/step, 1.1535 hours remaining, 239.855469 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: 3668000 4006.1788 20503.2629 14440.2606 232.1348 -203129.5791 2240.7104 0.0000 0.0000 51944.0924 -109762.9392 298.5234 -161707.0316 -109378.3309 299.0516 -420.8246 -394.7285 760673.7290 -14.3914 -14.5398 PRESSURE: 3668200 -195.035 14.2721 60.9672 14.2721 -302.598 -122.744 60.9677 -122.744 130.266 GPRESSURE: 3668200 -70.1847 4.02267 15.4066 -42.9178 -306.455 -94.0935 54.3251 18.3066 69.4271 PRESSAVG: 3668200 -35.9406 1.82864 36.8507 1.82864 13.2886 -18.7787 36.8507 -18.7787 20.0539 GPRESSAVG: 3668200 -35.1505 0.38299 37.292 0.54363 13.0253 -20.6336 36.0133 -18.0005 19.8311 TIMING: 3668200 CPU: 11656.2, 0.00313974/step Wall: 11656.2, 0.00313974/step, 1.16153 hours remaining, 239.855469 MB of memory in use. ENERGY: 3668200 4022.0989 20519.5789 14494.2849 242.5148 -203574.8959 2635.1323 0.0000 0.0000 51922.6697 -109738.6165 298.4003 -161661.2861 -109368.6696 298.9464 -122.4553 -102.4042 760639.9755 -0.8660 -0.7647 LDB: ============= START OF LOAD BALANCING ============== 11668.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11668.7 LDB: =============== DONE WITH MIGRATION ================ 11668.7 LDB: ============= START OF LOAD BALANCING ============== 11669 LDB: Largest compute 7070 load 0.032469 is 16.6% of average load 0.195361 LDB: Average compute 0.004383 is 2.2% of average load 0.195361 LDB: TIME 11669 LOAD: AVG 0.195361 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 11669 LOAD: AVG 0.195361 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.844 MB LDB: TIME 11669 LOAD: AVG 0.195361 MAX 0.217868 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.844 MB LDB: ============== END OF LOAD BALANCING =============== 11669 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11669 PRESSURE: 3668400 -3.96314 65.0561 1.37899 65.056 -256.593 103.298 1.37904 103.298 -129.615 GPRESSURE: 3668400 42.9442 81.3882 -62.5056 79.819 -264.058 80.6576 12.6489 152.156 -87.3763 PRESSAVG: 3668400 19.1528 34.7448 17.4135 34.7447 -16.3188 1.0628 17.4136 1.06278 -0.125445 GPRESSAVG: 3668400 18.3403 35.274 16.8496 37.4535 -16.0884 2.64151 18.4057 -1.36739 0.253457 TIMING: 3668400 CPU: 11656.9, 0.0031977/step Wall: 11656.9, 0.0031977/step, 1.18279 hours remaining, 240.808594 MB of memory in use. ENERGY: 3668400 4008.3673 20659.9904 14449.5801 233.5774 -203407.2172 2588.5344 0.0000 0.0000 51742.2023 -109724.9652 297.3631 -161467.1675 -109367.2673 299.1265 -130.0568 -102.8301 761544.2450 0.9028 0.8351 PRESSURE: 3668600 106.428 -25.2502 129.68 -25.2501 -287.51 -93.939 129.68 -93.9385 379.345 GPRESSURE: 3668600 118.059 85.4197 154.294 -74.4727 -288.153 -35.1827 55.8791 -58.0345 466.695 PRESSAVG: 3668600 3.48085 29.5859 -34.5353 29.5859 -39.7555 47.2572 -34.5353 47.2572 22.4407 GPRESSAVG: 3668600 4.33037 28.9379 -31.8016 28.6517 -40.7132 46.0224 -36.4967 49.5085 22.2171 TIMING: 3668600 CPU: 11657.5, 0.00314053/step Wall: 11657.5, 0.00314053/step, 1.16147 hours remaining, 241.011719 MB of memory in use. ENERGY: 3668600 3874.3772 20534.0846 14467.8290 239.4250 -203175.5417 2411.7673 0.0000 0.0000 51894.9425 -109753.1159 298.2409 -161648.0584 -109391.7007 298.9697 66.0876 98.8670 760158.6104 -4.6113 -4.7219 PRESSURE: 3668800 323.883 118.276 -190.059 118.276 -209.431 -292.578 -190.058 -292.578 49.6239 GPRESSURE: 3668800 297.375 -12.0543 -126.3 113.661 -151.227 -253.598 42.8664 -279.737 116.94 PRESSAVG: 3668800 28.8894 14.2898 21.4384 14.2897 -58.1378 -28.5729 21.4384 -28.5729 3.29191 GPRESSAVG: 3668800 27.4606 16.3469 21.0578 12.6668 -57.6098 -27.722 22.3473 -28.361 3.65676 TIMING: 3668800 CPU: 11658.1, 0.00311929/step Wall: 11658.1, 0.00311929/step, 1.15344 hours remaining, 241.011719 MB of memory in use. ENERGY: 3668800 4037.7090 20351.7456 14468.4513 219.4453 -203546.8007 2693.4945 0.0000 0.0000 51979.5424 -109796.4126 298.7271 -161775.9550 -109422.4628 298.7852 54.6921 87.6961 759828.2267 -8.6522 -8.8308 PRESSURE: 3669000 89.8446 -107.466 135.379 -107.467 -288.587 -0.738863 135.379 -0.739208 274.126 GPRESSURE: 3669000 138.144 -98.756 14.227 -187.376 -268.741 19.3486 90.2866 65.1349 273.447 PRESSAVG: 3669000 78.8053 -4.7603 -8.85605 -4.76023 -74.8651 -27.4087 -8.85603 -27.4087 13.6307 GPRESSAVG: 3669000 78.1263 -4.00811 -9.78184 -4.06629 -74.9534 -27.1891 -7.64715 -28.0143 14.112 TIMING: 3669000 CPU: 11658.8, 0.00312805/step Wall: 11658.8, 0.00312805/step, 1.15651 hours remaining, 241.011719 MB of memory in use. ENERGY: 3669000 4078.5839 20486.6497 14421.0178 231.6101 -203645.8828 2635.0488 0.0000 0.0000 52028.1518 -109764.8207 299.0065 -161792.9725 -109399.7334 298.9334 25.1278 47.6171 758405.3246 5.8570 5.7616 PRESSURE: 3669200 -176.418 182.279 -0.396345 182.279 -195.329 -202.753 -0.396382 -202.753 -101.532 GPRESSURE: 3669200 -119.814 100.961 174.839 120.958 -182.987 -231.354 57.3927 -222.404 -62.837 PRESSAVG: 3669200 20.2815 -42.6529 27.1309 -42.6529 -31.6724 10.3401 27.1308 10.3401 12.2913 GPRESSAVG: 3669200 21.1415 -44.5966 26.9978 -40.5023 -32.6389 10.4927 25.6606 10.7541 11.9902 TIMING: 3669200 CPU: 11659.4, 0.00311996/step Wall: 11659.4, 0.00311996/step, 1.15335 hours remaining, 241.011719 MB of memory in use. ENERGY: 3669200 4021.3166 20490.3048 14460.1149 239.9059 -203562.0848 2442.4939 0.0000 0.0000 52249.5633 -109658.3856 300.2790 -161907.9489 -109305.8710 299.0788 -157.7597 -121.8794 759208.3347 0.3001 0.1642 PRESSURE: 3669400 -440.62 -44.7059 73.45 -44.7058 -170.799 0.797981 73.4504 0.798219 -242.468 GPRESSURE: 3669400 -467.258 68.0809 8.93072 -51.6189 -188.901 55.3196 83.0292 -75.0383 -118.169 PRESSAVG: 3669400 48.2314 26.311 -25.3552 26.3109 -66.1307 -32.7795 -25.3552 -32.7794 -12.3864 GPRESSAVG: 3669400 48.593 26.0911 -24.766 26.1507 -66.3341 -32.3133 -22.8239 -32.5998 -12.3922 TIMING: 3669400 CPU: 11660, 0.0030998/step Wall: 11660, 0.0030998/step, 1.14572 hours remaining, 241.011719 MB of memory in use. ENERGY: 3669400 4066.7367 20512.5253 14491.3863 260.5935 -203363.4557 2444.1391 0.0000 0.0000 52073.5228 -109514.5522 299.2673 -161588.0750 -109155.8726 299.2465 -284.6289 -258.1094 760091.1834 -10.0952 -10.0444 PRESSURE: 3669600 227.392 -54.7092 202.648 -54.708 -25.8959 53.7708 202.649 53.7713 -415.201 GPRESSURE: 3669600 150.447 -84.3674 215.661 -11.4225 126.616 10.9344 81.0367 37.7219 -423.507 PRESSAVG: 3669600 19.7286 41.6432 -5.51861 41.6432 -10.843 -20.3928 -5.51862 -20.3928 -8.00243 GPRESSAVG: 3669600 19.6198 40.7713 -6.50168 41.6937 -10.6617 -20.1009 -6.51548 -20.3555 -8.06932 TIMING: 3669600 CPU: 11660.6, 0.00310064/step Wall: 11660.6, 0.00310064/step, 1.14586 hours remaining, 241.011719 MB of memory in use. ENERGY: 3669600 4047.5849 20554.1421 14402.6591 264.2632 -203980.0321 2866.4788 0.0000 0.0000 51954.3540 -109890.5500 298.5824 -161844.9040 -109535.4568 298.8062 -71.2350 -48.8148 759713.8502 0.2944 0.2963 PRESSURE: 3669800 333.415 187.931 282.95 187.931 -27.5331 -146.404 282.95 -146.404 482.038 GPRESSURE: 3669800 435.372 186.324 318.933 -27.9609 29.828 -169.971 108.651 43.1734 417.869 PRESSAVG: 3669800 72.9387 -32.8334 23.1047 -32.8333 -59.3527 0.14641 23.1047 0.146337 -18.1977 GPRESSAVG: 3669800 73.6846 -30.9201 23.6975 -36.9483 -58.5739 -0.667612 21.5424 -1.55995 -19.5582 TIMING: 3669800 CPU: 11661.2, 0.00312511/step Wall: 11661.2, 0.00312511/step, 1.15473 hours remaining, 241.011719 MB of memory in use. ENERGY: 3669800 3915.1397 20479.3088 14402.5471 245.9330 -203943.2479 3016.5486 0.0000 0.0000 51885.8392 -109997.9315 298.1886 -161883.7707 -109638.9241 298.8924 262.6399 294.3563 758841.6736 -1.5372 -1.4825 PRESSURE: 3670000 30.6551 158.797 -261.253 158.797 -268.596 301.061 -261.254 301.06 -207.512 GPRESSURE: 3670000 30.1173 151.525 -281.294 211.989 -288.377 272.055 -131.377 322.828 -110.89 PRESSAVG: 3670000 23.8602 -5.88978 18.361 -5.88981 -5.08568 36.0871 18.3609 36.0871 5.53272 GPRESSAVG: 3670000 23.621 -8.75674 18.8681 -1.67768 -5.68652 36.2885 18.5854 36.0661 6.27752 TIMING: 3670000 CPU: 11661.9, 0.00315899/step Wall: 11661.9, 0.00315899/step, 1.16707 hours remaining, 241.011719 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: 3670000 3944.6566 20556.7729 14447.1596 241.5967 -203688.2504 2613.8924 0.0000 0.0000 52152.8650 -109731.3071 299.7232 -161884.1721 -109369.5630 298.8753 -148.4841 -123.0499 761084.7714 8.1024 8.0707 PRESSURE: 3670200 240.007 -21.5894 148.462 -21.5894 132.626 -93.1254 148.462 -93.1258 286.142 GPRESSURE: 3670200 234.08 -84.5775 223.743 -113.216 228.649 -10.9056 106.306 7.1356 273.848 PRESSAVG: 3670200 20.4152 49.7319 28.2312 49.7319 -10.6591 34.3143 28.2312 34.3143 28.0124 GPRESSAVG: 3670200 21.497 50.1684 28.7432 47.8247 -11.0688 34.0318 28.0901 34.9587 28.2837 TIMING: 3670200 CPU: 11662.5, 0.00314295/step Wall: 11662.5, 0.00314295/step, 1.16097 hours remaining, 241.011719 MB of memory in use. ENERGY: 3670200 3891.9574 20587.9888 14488.1433 244.4263 -203706.9537 2733.1127 0.0000 0.0000 51774.8407 -109986.4844 297.5507 -161761.3251 -109622.9089 299.1390 219.5917 245.5254 759504.5403 12.5895 12.9040 PRESSURE: 3670400 -117.259 17.8572 -17.5076 17.8564 -67.4621 326.763 -17.5071 326.761 95.8862 GPRESSURE: 3670400 -64.4717 -58.5993 -36.0779 -22.3148 -5.26314 251.558 13.4618 226.212 66.4191 PRESSAVG: 3670400 2.67968 25.7567 57.7343 25.7567 2.61555 0.771281 57.7343 0.771298 20.6356 GPRESSAVG: 3670400 0.687409 26.2471 57.7445 25.4272 4.37804 0.181035 57.912 2.20615 20.7023 TIMING: 3670400 CPU: 11663.1, 0.00316206/step Wall: 11663.1, 0.00316206/step, 1.16785 hours remaining, 241.011719 MB of memory in use. ENERGY: 3670400 4020.2791 20484.2079 14415.1717 260.1872 -203928.7189 2723.4281 0.0000 0.0000 51807.4446 -110218.0002 297.7381 -162025.4449 -109863.8178 298.7103 -29.6116 -1.1053 760355.8534 8.6436 8.5893 PRESSURE: 3670600 -254.824 46.3562 -257.648 46.3566 -364.984 -277.161 -257.648 -277.16 -146.256 GPRESSURE: 3670600 -296.822 -18.8175 -215.314 139.898 -319.303 -283.489 -196.145 -266.372 -52.3538 PRESSAVG: 3670600 39.9295 -5.04259 0.943948 -5.04259 1.51421 0.407832 0.943979 0.407855 12.8427 GPRESSAVG: 3670600 40.7107 -4.84607 -0.294546 -3.09523 -0.0635977 3.2258 1.55467 -1.45772 14.1153 TIMING: 3670600 CPU: 11663.8, 0.00311379/step Wall: 11663.8, 0.00311379/step, 1.14985 hours remaining, 241.011719 MB of memory in use. ENERGY: 3670600 3994.6158 20614.3357 14409.3214 226.2204 -203401.3867 2190.9799 0.0000 0.0000 51802.6657 -110163.2477 297.7106 -161965.9134 -109800.8614 298.3781 -255.3547 -222.8264 761641.7951 18.0955 18.2542 PRESSURE: 3670800 86.4571 -86.346 21.0907 -86.3463 -248.108 73.6202 21.0906 73.6201 -54.3305 GPRESSURE: 3670800 160.177 -120.242 115.137 -68.5149 -162.82 126.04 76.7976 19.7797 -119.519 PRESSAVG: 3670800 12.5221 15.3063 29.8398 15.3063 -1.70765 -11.2733 29.8398 -11.2734 11.1601 GPRESSAVG: 3670800 13.8705 14.8972 32.4885 13.5888 -1.37286 -13.7895 29.2981 -9.99905 9.49316 TIMING: 3670800 CPU: 11664.4, 0.00312941/step Wall: 11664.4, 0.00312941/step, 1.15545 hours remaining, 241.011719 MB of memory in use. ENERGY: 3670800 3933.8259 20579.2816 14410.6737 237.0266 -203939.1006 2709.8465 0.0000 0.0000 51926.5424 -110141.9038 298.4226 -162068.4462 -109767.0728 299.0033 -71.9938 -40.7206 760726.5031 7.3248 7.3303 PRESSURE: 3671000 -258.259 -4.55971 -204.318 -4.55943 133.973 206.362 -204.318 206.362 -8.82739 GPRESSURE: 3671000 -122.789 -4.23897 -264.788 31.5465 61.6953 120.863 -96.9972 198.467 4.19666 PRESSAVG: 3671000 37.9963 29.2865 -33.171 29.2865 -5.67461 19.4938 -33.171 19.4937 -22.1747 GPRESSAVG: 3671000 37.9255 30.1633 -36.4425 29.9025 -6.63197 19.6141 -29.8501 20.198 -21.7039 TIMING: 3671000 CPU: 11665, 0.00317083/step Wall: 11665, 0.00317083/step, 1.17056 hours remaining, 241.011719 MB of memory in use. ENERGY: 3671000 3999.7780 20600.6059 14404.1789 233.8208 -203737.0450 2513.0600 0.0000 0.0000 52047.4721 -109938.1294 299.1175 -161985.6015 -109581.6384 298.5792 -44.3709 -18.9658 760206.9143 3.3823 3.1965 PRESSURE: 3671200 -83.8258 22.4144 -88.7637 22.4146 -100.048 -174.545 -88.7635 -174.546 -193.748 GPRESSURE: 3671200 -1.51931 173.962 -144.622 -17.514 -75.8995 -235.375 -127.033 -23.0478 -210.135 PRESSAVG: 3671200 -3.18272 1.0923 2.82785 1.09232 -19.1129 23.6982 2.82791 23.6981 -5.15999 GPRESSAVG: 3671200 -3.45551 0.495872 4.60864 2.35593 -18.731 25.0595 -1.23758 25.1234 -5.02075 TIMING: 3671200 CPU: 11665.7, 0.00316555/step Wall: 11665.7, 0.00316555/step, 1.16844 hours remaining, 241.011719 MB of memory in use. ENERGY: 3671200 4010.3928 20367.0186 14404.9161 232.7509 -203882.2828 2711.0568 0.0000 0.0000 52183.6718 -109972.4758 299.9003 -162156.1476 -109605.6474 298.8687 -125.8737 -95.8513 758345.1628 -9.1519 -9.0691 PRESSURE: 3671400 -402.483 -146.493 -303.935 -146.494 -240.075 -125.108 -303.936 -125.107 -593.932 GPRESSURE: 3671400 -379.352 -166.846 -200.532 -79.85 -210.89 -114.343 -187.857 -57.5882 -569.91 PRESSAVG: 3671400 -19.8597 13.2031 -42.5956 13.2031 13.8218 -14.0285 -42.5957 -14.0284 3.89051 GPRESSAVG: 3671400 -19.3053 14.7161 -43.6708 10.5694 13.644 -14.3012 -41.5137 -16.8104 3.2073 TIMING: 3671400 CPU: 11666.3, 0.00315057/step Wall: 11666.3, 0.00315057/step, 1.16274 hours remaining, 241.011719 MB of memory in use. ENERGY: 3671400 4083.2502 20540.5995 14459.3092 248.3534 -203632.8295 2416.0019 0.0000 0.0000 51735.0419 -110150.2734 297.3220 -161885.3152 -109790.4240 298.3758 -412.1633 -386.7176 760998.1448 -0.7158 -0.8180 PRESSURE: 3671600 98.6727 -26.4252 -100.315 -26.426 136.635 -44.005 -100.316 -44.0049 -122.667 GPRESSURE: 3671600 158.579 -75.8296 -154.994 -26.4403 110.735 -55.2914 -151.631 23.5291 -83.9271 PRESSAVG: 3671600 10.4855 39.6389 -12.1795 39.639 -5.90416 -19.7798 -12.1796 -19.7798 -7.42024 GPRESSAVG: 3671600 10.3274 37.7524 -11.4343 40.8583 -6.31589 -19.6879 -12.5398 -16.4191 -7.01951 TIMING: 3671600 CPU: 11666.9, 0.00315946/step Wall: 11666.9, 0.00315946/step, 1.16584 hours remaining, 241.011719 MB of memory in use. ENERGY: 3671600 4029.3862 20604.8060 14412.5666 259.1124 -203726.0058 2688.1214 0.0000 0.0000 51836.2461 -109895.7671 297.9036 -161732.0133 -109539.0586 298.3652 37.5470 61.7956 759888.8563 -0.9463 -1.0027 PRESSURE: 3671800 -88.7552 -270.022 2.03372 -270.022 -259.935 148.714 2.03393 148.714 -31.4432 GPRESSURE: 3671800 -73.1029 -238.547 -32.9911 -229.178 -207.207 192.922 -155.092 254.58 -3.34028 PRESSAVG: 3671800 33.5501 6.86947 -50.1393 6.86959 4.14671 -40.2319 -50.1394 -40.2319 15.6546 GPRESSAVG: 3671800 32.4616 6.57157 -49.9899 7.68397 4.52923 -39.3983 -49.9941 -43.6943 16.2733 TIMING: 3671800 CPU: 11667.5, 0.00313793/step Wall: 11667.5, 0.00313793/step, 1.15772 hours remaining, 241.011719 MB of memory in use. ENERGY: 3671800 3988.8884 20531.4727 14402.1372 241.7941 -203653.3299 2537.1243 0.0000 0.0000 51895.2512 -110056.6620 298.2427 -161951.9132 -109687.8275 298.9297 -126.7111 -94.5500 759719.0892 17.7838 17.7547 PRESSURE: 3672000 -360.244 123.763 88.4299 123.762 -199.899 -286.086 88.43 -286.086 -237.142 GPRESSURE: 3672000 -268.627 160.012 55.8163 8.85553 -223.055 -294.349 133.134 -150.448 -229.438 PRESSAVG: 3672000 79.2165 48.0358 -55.9789 48.0358 -43.2292 43.3522 -55.9789 43.3523 -5.81093 GPRESSAVG: 3672000 80.147 49.5516 -57.1081 48.2798 -43.7009 42.2376 -56.2064 43.6685 -6.11456 TIMING: 3672000 CPU: 11668.2, 0.00313375/step Wall: 11668.2, 0.00313375/step, 1.15601 hours remaining, 241.011719 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: 3672000 3908.4856 20556.0722 14429.4870 245.2427 -203680.6214 2495.7744 0.0000 0.0000 51813.3612 -110232.1983 297.7721 -162045.5594 -109871.8194 298.1023 -265.7617 -240.3733 759320.6993 10.0588 10.1105 PRESSURE: 3672200 -211.51 -91.6186 -41.1861 -91.6187 -171.041 17.448 -41.187 17.4477 -129.198 GPRESSURE: 3672200 -157.248 13.5236 -52.627 50.3446 -124.57 70.2758 9.34103 12.7523 -157.319 PRESSAVG: 3672200 -17.8295 62.5759 -15.1496 62.576 -29.1359 -7.77579 -15.1496 -7.77576 -8.75652 GPRESSAVG: 3672200 -17.2394 61.215 -14.0337 61.4958 -29.2883 -7.89169 -15.101 -5.92871 -9.16542 TIMING: 3672200 CPU: 11668.8, 0.00312982/step Wall: 11668.8, 0.00312982/step, 1.15438 hours remaining, 241.011719 MB of memory in use. ENERGY: 3672200 3966.6118 20366.8338 14394.0652 251.9452 -203391.2369 2321.4839 0.0000 0.0000 51948.0861 -110142.2109 298.5464 -162090.2970 -109774.9275 297.8762 -170.5830 -146.3792 761831.7087 -18.5740 -18.5644 LDB: ============= START OF LOAD BALANCING ============== 11681.2 LDB: ============== END OF LOAD BALANCING =============== 11681.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11681.3 LDB: ============= START OF LOAD BALANCING ============== 11681.6 LDB: Largest compute 7032 load 0.033351 is 17.1% of average load 0.195355 LDB: Average compute 0.004383 is 2.2% of average load 0.195355 LDB: TIME 11681.6 LOAD: AVG 0.195355 MAX 0.214495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.391 MB LDB: TIME 11681.6 LOAD: AVG 0.195355 MAX 0.214495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.594 MB LDB: TIME 11681.6 LOAD: AVG 0.195355 MAX 0.214495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.594 MB LDB: ============== END OF LOAD BALANCING =============== 11681.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11681.6 PRESSURE: 3672400 195.88 -199.2 -35.2373 -199.2 -155.449 212.071 -35.2365 212.071 243.987 GPRESSURE: 3672400 101.814 -152.535 -110.489 -213.984 -19.7699 252.369 13.42 93.9277 282.205 PRESSAVG: 3672400 -21.6619 -19.064 31.1686 -19.0639 -17.0806 58.7903 31.1686 58.7902 -4.00874 GPRESSAVG: 3672400 -21.4041 -17.8572 30.8253 -19.4396 -16.6754 57.2451 31.5302 58.2804 -3.97464 TIMING: 3672400 CPU: 11669.4, 0.00319782/step Wall: 11669.4, 0.00319781/step, 1.17928 hours remaining, 242.093750 MB of memory in use. ENERGY: 3672400 3925.8560 20494.8993 14404.3687 244.1599 -203590.0718 2571.4601 0.0000 0.0000 52027.6074 -109921.7204 299.0034 -161949.3278 -109559.9151 298.4157 94.8057 121.4162 758183.8300 -14.2504 -14.0181 PRESSURE: 3672600 67.5357 61.3986 189.157 61.3983 122.102 -304.562 189.157 -304.562 93.5846 GPRESSURE: 3672600 122.621 79.0109 162.253 -46.8078 71.6614 -282.341 179.275 -314.633 180.42 PRESSAVG: 3672600 33.2569 -43.0706 -41.5614 -43.0706 9.32099 19.5966 -41.5614 19.5966 35.9361 GPRESSAVG: 3672600 31.8725 -44.5441 -43.43 -40.6449 8.40398 22.4416 -41.1916 17.6981 36.9009 TIMING: 3672600 CPU: 11670.1, 0.00311603/step Wall: 11670.1, 0.00311603/step, 1.14895 hours remaining, 242.093750 MB of memory in use. ENERGY: 3672600 3946.1236 20510.4774 14355.1816 233.3058 -203481.8200 2580.2751 0.0000 0.0000 52175.7779 -109680.6787 299.8549 -161856.4565 -109307.2530 299.4148 94.4073 124.9007 759791.2112 26.1713 25.7258 PRESSURE: 3672800 94.0953 245.418 53.057 245.417 84.7034 -142.608 53.0574 -142.609 352.188 GPRESSURE: 3672800 160.679 109.277 104.64 93.7561 210.668 -79.1742 31.6638 -124.924 235.264 PRESSAVG: 3672800 -1.12977 -61.7837 -16.8183 -61.7837 -35.1743 -52.3445 -16.8183 -52.3444 -20.2756 GPRESSAVG: 3672800 -2.06562 -61.3336 -16.3908 -61.2284 -33.6345 -52.868 -18.3444 -52.6003 -20.9383 TIMING: 3672800 CPU: 11670.7, 0.00312533/step Wall: 11670.7, 0.00312533/step, 1.15221 hours remaining, 242.093750 MB of memory in use. ENERGY: 3672800 3950.4240 20454.5834 14528.4563 245.0965 -203237.8603 2402.6244 0.0000 0.0000 52217.3546 -109439.3211 300.0939 -161656.6757 -109083.1877 299.3715 176.9954 202.2039 758872.6854 -18.8599 -18.8795 PRESSURE: 3673000 -7.10193 -1.43618 -176.116 -1.43571 123.875 -1.12367 -176.117 -1.12303 -51.6835 GPRESSURE: 3673000 60.6875 -69.5702 -178.522 76.6406 123.289 16.8267 -271.728 0.56377 -30.4108 PRESSAVG: 3673000 24.7471 8.34796 -18.8539 8.34791 4.86226 -0.0596328 -18.8539 -0.059683 10.2349 GPRESSAVG: 3673000 24.4556 9.25577 -17.2412 5.84883 5.15171 -1.73825 -16.3761 1.34668 10.4043 TIMING: 3673000 CPU: 11671.3, 0.00311114/step Wall: 11671.3, 0.00311114/step, 1.1468 hours remaining, 242.093750 MB of memory in use. ENERGY: 3673000 3993.6525 20494.8990 14523.8623 244.9758 -203251.5638 2469.1061 0.0000 0.0000 52324.6280 -109200.4402 300.7104 -161525.0682 -108827.6151 300.2542 21.6966 51.1887 759145.1767 13.2814 13.3372 PRESSURE: 3673200 -63.9283 34.4023 81.6523 34.4026 -91.8712 -12.2199 81.6529 -12.2186 153.049 GPRESSURE: 3673200 0.911641 -103.136 159.443 -33.1915 -19.5723 -32.1569 132.887 -113.716 95.7043 PRESSAVG: 3673200 36.2926 -39.3106 1.57795 -39.3107 24.5567 52.3795 1.57797 52.3795 14.367 GPRESSAVG: 3673200 38.9686 -40.9663 0.948821 -38.0105 23.0385 53.2613 -1.48416 50.6291 13.4229 TIMING: 3673200 CPU: 11671.9, 0.00311495/step Wall: 11671.9, 0.00311495/step, 1.14803 hours remaining, 242.093750 MB of memory in use. ENERGY: 3673200 3978.7982 20400.6816 14438.6624 234.8859 -203084.5887 2415.9369 0.0000 0.0000 52499.3481 -109116.2756 301.7145 -161615.6237 -108745.2205 300.4729 -0.9169 25.6812 758071.6646 25.0721 25.1434 PRESSURE: 3673400 -244.813 54.458 -132.159 54.4569 -79.4136 141.7 -132.159 141.7 -134.186 GPRESSURE: 3673400 -210.285 32.1424 -161.25 3.76504 -94.4178 131.281 -87.3808 151.105 -87.2212 PRESSAVG: 3673400 -14.5917 2.37231 -5.30969 2.37233 15.1156 -6.05604 -5.3097 -6.05607 -4.66369 GPRESSAVG: 3673400 -16.0159 5.99724 -5.98454 0.776396 15.9304 -2.78317 -1.63158 -4.62294 -4.20597 TIMING: 3673400 CPU: 11672.6, 0.00313192/step Wall: 11672.6, 0.00313192/step, 1.15411 hours remaining, 242.093750 MB of memory in use. ENERGY: 3673400 3978.9790 20504.6048 14431.2045 261.6775 -203114.7950 2336.2123 0.0000 0.0000 52116.5155 -109485.6014 299.5143 -161602.1169 -109122.9222 299.7849 -152.8041 -130.6415 761329.9783 -1.3799 -1.4305 PRESSURE: 3673600 143.099 -83.6356 125.854 -83.6364 -83.4744 -36.1193 125.855 -36.1196 16.5909 GPRESSURE: 3673600 151.166 -74.0576 150.658 -115.915 4.84961 -29.8567 92.4765 -58.6252 -0.783902 PRESSAVG: 3673600 -19.4683 1.56265 13.3355 1.56268 -2.0623 31.9424 13.3355 31.9423 0.31823 GPRESSAVG: 3673600 -19.1707 1.67403 14.6407 1.85516 -1.42839 28.8101 10.7803 31.2682 -0.0143677 TIMING: 3673600 CPU: 11673.2, 0.00311608/step Wall: 11673.2, 0.00311608/step, 1.1481 hours remaining, 242.093750 MB of memory in use. ENERGY: 3673600 3996.6006 20428.7108 14505.9756 253.3881 -203881.3059 2728.9561 0.0000 0.0000 52339.5286 -109628.1462 300.7960 -161967.6748 -109261.6209 299.3522 25.4052 51.7440 760668.0740 -7.0708 -6.8712 PRESSURE: 3673800 313.873 -74.0816 62.7683 -74.0809 187.614 51.3872 62.7683 51.3872 -156.354 GPRESSURE: 3673800 269.586 -100.503 63.0785 -125.421 286.987 152.559 52.5107 97.9446 -122.788 PRESSAVG: 3673800 25.0142 23.2894 41.1094 23.2894 -7.2594 -16.5819 41.1093 -16.582 -4.51284 GPRESSAVG: 3673800 24.1474 23.4345 40.76 22.4778 -7.03435 -15.0323 40.8187 -16.3316 -3.66378 TIMING: 3673800 CPU: 11673.8, 0.00312292/step Wall: 11673.8, 0.00312292/step, 1.15045 hours remaining, 242.093750 MB of memory in use. ENERGY: 3673800 3963.5239 20663.4776 14422.2428 233.1035 -204135.9510 2933.8926 0.0000 0.0000 52599.6457 -109320.0649 302.2909 -161919.7106 -108967.1445 299.7745 115.0441 144.5952 760928.7939 4.4140 4.4831 PRESSURE: 3674000 -318.034 143.494 -232.732 143.494 -82.1523 435.487 -232.732 435.487 -119.677 GPRESSURE: 3674000 -261.999 214.267 -184.571 206.008 -84.751 482.989 -320.919 315.404 -91.0655 PRESSAVG: 3674000 -19.2839 35.7122 23.0841 35.7122 60.2259 -33.8402 23.0842 -33.8402 20.3793 GPRESSAVG: 3674000 -18.6915 35.3063 23.1059 36.6098 59.2824 -34.0656 24.2977 -32.8715 21.2687 TIMING: 3674000 CPU: 11674.4, 0.00310481/step Wall: 11674.4, 0.00310481/step, 1.1436 hours remaining, 242.093750 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: 3674000 3973.9026 20704.0166 14412.8391 244.5298 -203008.7366 2209.6125 0.0000 0.0000 52071.6162 -109392.2196 299.2563 -161463.8359 -109024.5887 299.7163 -173.2878 -145.9384 763103.0403 20.4405 20.6199 PRESSURE: 3674200 -133.492 -61.7189 31.489 -61.7182 648.329 -71.6933 31.4901 -71.6919 -109.22 GPRESSURE: 3674200 -51.2982 -102.868 39.1988 -77.9088 588.358 -53.722 95.5238 -198.256 -47.1525 PRESSAVG: 3674200 -43.1878 44.6345 29.0217 44.6344 32.2375 -4.1012 29.0217 -4.10121 -10.7008 GPRESSAVG: 3674200 -42.1107 43.3136 28.4164 45.194 31.287 -4.97936 29.2641 -4.39428 -10.955 TIMING: 3674200 CPU: 11675, 0.00311292/step Wall: 11675, 0.00311292/step, 1.14642 hours remaining, 242.093750 MB of memory in use. ENERGY: 3674200 4000.3735 20603.3117 14465.8941 237.9849 -203511.7092 2651.4221 0.0000 0.0000 52258.5063 -109294.2166 300.3304 -161552.7229 -108923.4339 299.4643 135.2056 163.3025 760443.3720 -7.2170 -7.2596 PRESSURE: 3674400 104.049 -127.044 290.804 -127.043 -303.059 2.45922 290.805 2.45917 -245.656 GPRESSURE: 3674400 94.0381 -78.0643 272.931 -203.771 -248.32 -46.4668 214.67 42.4392 -202.862 PRESSAVG: 3674400 -7.72729 46.7316 32.7868 46.7316 -8.89574 13.3857 32.7868 13.3856 0.879692 GPRESSAVG: 3674400 -7.83992 46.7255 34.2346 44.8603 -8.76171 13.4607 28.4758 12.784 1.19206 TIMING: 3674400 CPU: 11675.7, 0.00311786/step Wall: 11675.7, 0.00311786/step, 1.14807 hours remaining, 242.093750 MB of memory in use. ENERGY: 3674400 3993.6460 20525.1368 14445.0096 266.7449 -202958.4157 2506.7123 0.0000 0.0000 52315.3918 -108905.7742 300.6573 -161221.1661 -108536.6298 300.4132 -148.2224 -119.0482 761717.7971 -5.2478 -5.1365 PRESSURE: 3674600 161.833 93.939 -125.17 93.9389 -279.683 -25.775 -125.17 -25.7752 170.783 GPRESSURE: 3674600 90.4717 50.4969 -90.497 223.705 -116.796 -35.1569 -230.669 -82.8096 156.265 PRESSAVG: 3674600 -20.0261 -68.0145 -18.8357 -68.0144 36.459 18.9482 -18.8356 18.9482 15.2141 GPRESSAVG: 3674600 -20.1701 -67.5066 -20.3075 -67.7067 38.2694 18.3004 -18.8362 20.9688 13.1741 TIMING: 3674600 CPU: 11676.3, 0.00313812/step Wall: 11676.3, 0.00313812/step, 1.15535 hours remaining, 242.093750 MB of memory in use. ENERGY: 3674600 4021.2891 20524.6079 14434.2057 257.0869 -203455.9021 2813.2400 0.0000 0.0000 52324.2832 -109081.1895 300.7084 -161405.4727 -108721.6627 300.6689 17.6440 43.3137 762930.4422 10.5490 10.4245 PRESSURE: 3674800 -276.341 -26.2126 -178.865 -26.213 -185.091 187.064 -178.865 187.063 102.116 GPRESSURE: 3674800 -251.785 -12.687 -149.594 118.043 -111.402 246.825 -140.767 123.452 86.593 PRESSAVG: 3674800 6.04192 -41.3607 -10.4568 -41.3607 33.7947 31.4288 -10.4568 31.4287 -1.47975 GPRESSAVG: 3674800 6.05956 -40.6858 -10.1344 -40.6247 32.7405 32.3955 -5.4816 29.4712 -0.159005 TIMING: 3674800 CPU: 11676.9, 0.00313838/step Wall: 11676.9, 0.00313838/step, 1.15527 hours remaining, 242.093750 MB of memory in use. ENERGY: 3674800 4047.8887 20508.4844 14413.6732 257.8518 -202806.1655 2158.9372 0.0000 0.0000 52119.4083 -109299.9219 299.5310 -161419.3303 -108937.2099 300.0835 -119.7719 -92.1982 762099.7142 12.7856 12.8804 PRESSURE: 3675000 -282.423 -20.8263 103.472 -20.8269 -23.2002 230.274 103.472 230.274 221.004 GPRESSURE: 3675000 -240.556 -11.5683 117.311 45.5789 56.9783 221.939 104.048 184.338 171.949 PRESSAVG: 3675000 -102.112 4.23756 -25.4353 4.23755 26.6424 -49.2608 -25.4354 -49.2608 14.4599 GPRESSAVG: 3675000 -101.389 1.19366 -25.4376 4.37724 26.7212 -48.0715 -28.9499 -48.6067 13.9977 TIMING: 3675000 CPU: 11677.6, 0.00313833/step Wall: 11677.6, 0.00313833/step, 1.15508 hours remaining, 242.093750 MB of memory in use. ENERGY: 3675000 3934.2753 20448.0867 14394.3689 241.3278 -202582.2163 2024.7206 0.0000 0.0000 52182.2553 -109357.1817 299.8921 -161539.4371 -108984.8527 299.5167 -28.2063 -3.8763 760955.2200 -20.3365 -20.2234 PRESSURE: 3675200 -33.6948 107.744 -0.604377 107.744 -49.8383 120.419 -0.604862 120.418 415.822 GPRESSURE: 3675200 25.1945 143.033 47.5895 116.72 13.0526 141.895 -2.02325 -9.18356 392.271 PRESSAVG: 3675200 -49.7379 -27.967 -2.56092 -27.967 -6.4167 27.0237 -2.56094 27.0238 -9.60188 GPRESSAVG: 3675200 -51.0778 -27.6981 -3.02718 -27.3124 -6.16191 25.7825 -0.474421 27.6416 -9.2286 TIMING: 3675200 CPU: 11678.2, 0.00311375/step Wall: 11678.2, 0.00311375/step, 1.14586 hours remaining, 242.093750 MB of memory in use. ENERGY: 3675200 3928.4610 20701.2074 14423.3099 245.1050 -203140.7496 2295.8732 0.0000 0.0000 52184.2172 -109362.5758 299.9034 -161546.7931 -108995.3964 299.8421 110.7628 143.5061 761465.5107 -21.9188 -22.1561 PRESSURE: 3675400 173.712 173.43 -196.715 173.429 -155.791 194.548 -196.714 194.548 139.065 GPRESSURE: 3675400 188.462 160.716 -199.013 150.727 -138.221 96.6918 -13.6541 199.919 196.749 PRESSAVG: 3675400 -10.3598 -18.8176 24.0803 -18.8177 7.81187 18.8346 24.0803 18.8346 0.42704 GPRESSAVG: 3675400 -10.346 -18.5026 23.1642 -20.711 8.62052 19.1029 24.2081 18.3828 -0.608112 TIMING: 3675400 CPU: 11678.8, 0.00312122/step Wall: 11678.8, 0.00312122/step, 1.14843 hours remaining, 242.093750 MB of memory in use. ENERGY: 3675400 3966.3694 20337.9990 14412.1191 237.1154 -202908.8943 2169.8007 0.0000 0.0000 52204.4606 -109581.0301 300.0198 -161785.4907 -109214.7209 299.6181 52.3286 82.3296 761614.1159 -0.7070 -0.7779 PRESSURE: 3675600 231.629 -222.301 342.166 -222.3 89.3949 -149.736 342.165 -149.736 217.756 GPRESSURE: 3675600 218.08 -169.266 281.677 -166.597 118.333 -76.864 293.383 -89.8601 290.882 PRESSAVG: 3675600 -38.1742 -74.6985 9.01107 -74.6986 70.3551 -1.04966 9.01096 -1.04964 7.93061 GPRESSAVG: 3675600 -37.7222 -74.7949 11.1968 -74.039 68.7775 -0.268695 7.68977 -1.28328 8.80306 TIMING: 3675600 CPU: 11679.4, 0.00313554/step Wall: 11679.4, 0.00313554/step, 1.15353 hours remaining, 242.093750 MB of memory in use. ENERGY: 3675600 3954.9603 20627.2810 14387.8594 238.4604 -203333.3297 2643.8614 0.0000 0.0000 52110.7931 -109370.1139 299.4814 -161480.9070 -109004.8666 299.4387 179.5932 209.0983 759494.8668 13.3705 13.2861 PRESSURE: 3675800 62.7153 101.913 391.283 101.914 188.336 -21.5996 391.284 -21.5991 -165.266 GPRESSURE: 3675800 79.5371 -21.5725 334.219 44.8131 194.961 31.3482 463.619 -8.84656 -119.852 PRESSAVG: 3675800 -23.4158 -44.5651 -28.5673 -44.5651 16.0051 -23.723 -28.5672 -23.7231 -6.54989 GPRESSAVG: 3675800 -23.5577 -44.0678 -29.855 -44.9699 16.5547 -23.9378 -27.9868 -24.2389 -6.81341 TIMING: 3675800 CPU: 11680.1, 0.00314046/step Wall: 11680.1, 0.00314046/step, 1.15517 hours remaining, 242.093750 MB of memory in use. ENERGY: 3675800 3996.9879 20528.0863 14471.2139 268.7446 -203083.0102 2343.1747 0.0000 0.0000 51957.3553 -109517.4475 298.5996 -161474.8028 -109164.7064 299.3888 28.5951 51.5488 759705.1374 -4.6535 -4.6055 PRESSURE: 3676000 -46.6171 -220.47 -68.7026 -220.471 -247.7 -127.753 -68.7022 -127.753 -117.93 GPRESSURE: 3676000 -85.0962 -162.15 -16.8627 -281.087 -74.2198 -209.802 -134.464 -33.7977 -169.071 PRESSAVG: 3676000 6.25371 -27.3374 -5.26057 -27.3374 41.3038 -6.30892 -5.26054 -6.3089 11.9573 GPRESSAVG: 3676000 5.80498 -28.3751 -4.54176 -29.1273 41.8418 -5.8916 -4.52834 -3.81654 11.6657 TIMING: 3676000 CPU: 11680.7, 0.00313495/step Wall: 11680.7, 0.00313495/step, 1.15296 hours remaining, 242.093750 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: 3676000 4051.0028 20601.9294 14499.5921 241.7662 -203225.2674 2359.7125 0.0000 0.0000 51927.9502 -109543.3143 298.4306 -161471.2645 -109174.0798 299.2512 -137.4158 -109.4624 760545.7851 19.8383 19.7708 PRESSURE: 3676200 -338.172 -56.1492 -71.0677 -56.1489 -105.219 90.4148 -71.0672 90.4146 -189.783 GPRESSURE: 3676200 -379.904 38.9422 -60.2735 -33.8552 -72.9992 83.2227 -72.09 67.1603 -85.9643 PRESSAVG: 3676200 -28.3182 25.4196 -6.26821 25.4195 19.5851 -7.68497 -6.2682 -7.68499 26.407 GPRESSAVG: 3676200 -27.969 25.5602 -6.36287 28.9353 19.9373 -8.42632 -5.2299 -9.77703 25.8801 TIMING: 3676200 CPU: 11681.3, 0.00314066/step Wall: 11681.3, 0.00314066/step, 1.15489 hours remaining, 242.093750 MB of memory in use. ENERGY: 3676200 3974.0142 20450.8800 14417.4382 253.4062 -203353.9047 2508.0925 0.0000 0.0000 51955.6088 -109794.4648 298.5896 -161750.0736 -109440.8598 299.0954 -211.0579 -179.6226 760612.3466 5.8913 5.9495 LDB: ============= START OF LOAD BALANCING ============== 11693.8 LDB: ============== END OF LOAD BALANCING =============== 11693.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11693.8 LDB: ============= START OF LOAD BALANCING ============== 11694.1 LDB: Largest compute 7034 load 0.033368 is 17.1% of average load 0.195478 LDB: Average compute 0.004383 is 2.2% of average load 0.195478 LDB: TIME 11694.1 LOAD: AVG 0.195478 MAX 0.218255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.648 MB LDB: TIME 11694.1 LOAD: AVG 0.195478 MAX 0.218255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: TIME 11694.1 LOAD: AVG 0.195478 MAX 0.216447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: ============== END OF LOAD BALANCING =============== 11694.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11694.1 PRESSURE: 3676400 -348.44 -37.6025 242.456 -37.6026 -266.973 85.3278 242.456 85.3263 -47.9411 GPRESSURE: 3676400 -371.518 -17.1582 210.99 -21.5847 -135.762 59.9797 205.135 129.035 -82.9359 PRESSAVG: 3676400 -34.3552 7.38556 5.82504 7.38559 49.8553 -31.9147 5.82508 -31.9146 7.62257 GPRESSAVG: 3676400 -33.7999 6.9817 5.79311 7.93708 48.3943 -32.4893 4.41524 -31.8315 8.32804 TIMING: 3676400 CPU: 11682, 0.00321825/step Wall: 11682, 0.00321825/step, 1.18324 hours remaining, 243.757812 MB of memory in use. ENERGY: 3676400 3967.3691 20670.6498 14416.8282 231.7746 -203188.2496 2263.1913 0.0000 0.0000 51810.5480 -109827.8884 297.7559 -161638.4364 -109469.3830 298.7613 -221.1179 -196.7386 761111.5540 7.7075 7.6408 PRESSURE: 3676600 -22.3925 20.6914 132.304 20.6903 331.748 -18.4471 132.304 -18.4476 -82.5596 GPRESSURE: 3676600 121.862 -7.70772 187.807 -113.822 270.23 26.3968 85.8101 -21.373 -88.8761 PRESSAVG: 3676600 -7.95474 -6.50255 48.457 -6.50255 7.02367 -9.91268 48.457 -9.91271 -8.28931 GPRESSAVG: 3676600 -8.90058 -4.74157 48.7839 -8.90071 7.57093 -10.9298 48.3673 -6.65545 -7.8161 TIMING: 3676600 CPU: 11682.6, 0.00314085/step Wall: 11682.6, 0.00314085/step, 1.15461 hours remaining, 243.898438 MB of memory in use. ENERGY: 3676600 4058.2045 20459.4183 14380.5774 222.7213 -203926.9390 2734.5447 0.0000 0.0000 51986.2202 -110085.2524 298.7655 -162071.4727 -109715.3747 298.5965 75.5987 101.0718 760487.3558 -3.0735 -3.0486 PRESSURE: 3676800 -44.4485 -48.6154 -118.793 -48.6149 52.7402 -164.742 -118.793 -164.741 112.909 GPRESSURE: 3676800 -4.81611 8.58846 -118.496 37.8997 44.5074 -131.607 -71.2232 -166.975 188.266 PRESSAVG: 3676800 1.63912 -13.4314 23.3787 -13.4313 42.7317 42.4136 23.3787 42.4136 0.916155 GPRESSAVG: 3676800 2.47366 -15.7711 22.234 -13.0921 42.1654 42.3121 23.866 40.3097 0.682675 TIMING: 3676800 CPU: 11683.2, 0.0031655/step Wall: 11683.2, 0.0031655/step, 1.1635 hours remaining, 243.898438 MB of memory in use. ENERGY: 3676800 3934.0832 20453.7604 14459.9810 240.4649 -203592.7379 2564.8996 0.0000 0.0000 52102.7727 -109836.7761 299.4354 -161939.5488 -109465.2887 298.4498 40.4003 75.9856 759845.5050 15.0957 15.1072 PRESSURE: 3677000 -55.5413 -72.4809 -280.489 -72.4813 -280.335 18.5875 -280.489 18.5876 -30.7641 GPRESSURE: 3677000 7.38639 -151.245 -251.642 -49.8075 -220.82 9.8853 -159.945 -52.2045 -56.4938 PRESSAVG: 3677000 25.1431 -49.7794 -33.2944 -49.7795 26.8819 -47.2886 -33.2943 -47.2886 -32.3751 GPRESSAVG: 3677000 25.4211 -47.5651 -32.464 -49.7573 26.7961 -46.376 -33.0372 -46.2592 -33.0072 TIMING: 3677000 CPU: 11683.8, 0.00312452/step Wall: 11683.8, 0.00312452/step, 1.14826 hours remaining, 243.898438 MB of memory in use. ENERGY: 3677000 3958.6424 20670.1782 14474.1884 229.2266 -203207.8520 2305.2728 0.0000 0.0000 51856.4494 -109713.8940 298.0197 -161570.3435 -109355.5381 298.9287 -122.2134 -89.9758 761033.8998 6.5500 6.4033 PRESSURE: 3677200 307.869 -38.7766 -12.3561 -38.7754 -82.7574 -300.868 -12.3561 -300.868 11.601 GPRESSURE: 3677200 275.807 -40.6642 -3.13994 13.8099 -42.7221 -365.653 -173.09 -148.168 73.0308 PRESSAVG: 3677200 37.6013 -55.4057 0.388903 -55.4058 -36.1321 5.78085 0.388919 5.78082 -1.57228 GPRESSAVG: 3677200 37.0828 -57.4473 0.519803 -52.6573 -35.8253 5.09146 -0.292345 4.96269 -1.49695 TIMING: 3677200 CPU: 11684.5, 0.00311218/step Wall: 11684.5, 0.00311218/step, 1.14355 hours remaining, 243.898438 MB of memory in use. ENERGY: 3677200 3979.1923 20491.0508 14404.3287 241.2899 -203635.8777 2609.5660 0.0000 0.0000 52338.0143 -109572.4358 300.7873 -161910.4501 -109195.0776 299.5144 78.9043 102.0385 759608.3288 -0.0343 -0.0798 PRESSURE: 3677400 -7.16579 23.8316 -186.601 23.8309 229.226 -206.417 -186.601 -206.417 114.842 GPRESSURE: 3677400 31.041 36.2313 -183.8 -26.2672 244.849 -166.637 -132.001 -91.8361 133.275 PRESSAVG: 3677400 21.6159 -4.79239 43.9522 -4.79245 -40.5299 11.3107 43.9523 11.3107 18.5222 GPRESSAVG: 3677400 20.6338 -3.85549 45.483 -6.09766 -39.6342 11.2257 44.5066 11.8485 19.1052 TIMING: 3677400 CPU: 11685.1, 0.00312256/step Wall: 11685.1, 0.00312256/step, 1.1472 hours remaining, 243.898438 MB of memory in use. ENERGY: 3677400 3977.4508 20470.0903 14421.0205 245.2831 -203456.5127 2710.2647 0.0000 0.0000 52047.5102 -109584.8932 299.1178 -161632.4034 -109220.2170 299.5198 112.3008 136.3881 761139.2979 -0.1306 0.0350 PRESSURE: 3677600 -203.934 225.551 -99.1302 225.551 -144.976 -14.4538 -99.1299 -14.4542 20.0131 GPRESSURE: 3677600 -265.144 191.512 -147.009 16.8777 -41.3868 -7.66111 -60.5906 -95.416 67.4806 PRESSAVG: 3677600 -46.0734 -4.76296 11.1581 -4.76291 -4.37307 24.5965 11.1582 24.5966 -17.9125 GPRESSAVG: 3677600 -45.6211 -4.94747 8.94966 -7.04564 -4.56074 23.6049 10.8738 24.2078 -17.9791 TIMING: 3677600 CPU: 11685.7, 0.00313937/step Wall: 11685.7, 0.00313937/step, 1.15319 hours remaining, 243.898438 MB of memory in use. ENERGY: 3677600 3986.4799 20532.7043 14359.6018 242.4931 -203346.2399 2556.7796 0.0000 0.0000 52104.7400 -109563.4414 299.4467 -161668.1813 -109199.2120 299.4316 -109.6321 -79.6833 761274.3134 -22.7863 -22.7203 PRESSURE: 3677800 -126.973 -1.0622 -193.842 -1.06227 122.614 -246.026 -193.842 -246.026 -227.225 GPRESSURE: 3677800 -30.461 55.6422 -252.915 -4.40545 146.406 -162.739 -127.832 -109.619 -264.037 PRESSAVG: 3677800 -77.9447 -19.1593 -3.86206 -19.1593 81.9429 -8.88027 -3.862 -8.8802 -3.61888 GPRESSAVG: 3677800 -76.9406 -18.3921 -2.58821 -19.0915 82.6769 -6.48042 -5.46636 -9.77057 -5.0333 TIMING: 3677800 CPU: 11686.3, 0.00312738/step Wall: 11686.3, 0.00312738/step, 1.14862 hours remaining, 243.898438 MB of memory in use. ENERGY: 3677800 3910.2737 20696.7967 14434.4437 230.5028 -203483.3283 2314.9675 0.0000 0.0000 51972.0640 -109924.2799 298.6842 -161896.3439 -109561.7856 299.0880 -77.1945 -49.3643 760248.5895 0.1265 0.2343 PRESSURE: 3678000 -259.009 -95.7458 89.4748 -95.7451 -19.7669 120.082 89.4743 120.083 120.91 GPRESSURE: 3678000 -275.878 -209.305 39.4753 -34.5956 101.152 125.565 117.05 123.282 82.936 PRESSAVG: 3678000 -63.2476 -32.772 -11.9198 -32.772 35.5214 32.2826 -11.9198 32.2826 3.00197 GPRESSAVG: 3678000 -64.0509 -34.0183 -13.0437 -31.6139 35.2976 31.0437 -10.4882 32.6033 4.22213 TIMING: 3678000 CPU: 11687, 0.00313172/step Wall: 11687, 0.00313172/step, 1.15004 hours remaining, 243.898438 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: 3678000 3999.0614 20470.3706 14393.7064 271.1625 -203453.3861 2502.8154 0.0000 0.0000 51944.5041 -109871.7658 298.5258 -161816.2698 -109503.4704 298.5494 -52.6219 -30.5967 761707.9886 -8.2414 -8.1771 PRESSURE: 3678200 -64.1486 -188.772 -42.2827 -188.773 -187.357 -26.2046 -42.283 -26.205 82.0479 GPRESSURE: 3678200 -80.7769 -110.488 -11.9517 -226.15 -136.632 -35.6569 -125.364 5.78161 164.291 PRESSAVG: 3678200 -14.6044 -16.2338 38.1476 -16.2337 28.362 -19.5073 38.1476 -19.5073 -4.56551 GPRESSAVG: 3678200 -14.7292 -16.3646 38.1703 -16.736 28.5928 -18.3838 40.0093 -17.1411 -4.59922 TIMING: 3678200 CPU: 11687.6, 0.00315858/step Wall: 11687.6, 0.00315858/step, 1.15972 hours remaining, 243.898438 MB of memory in use. ENERGY: 3678200 3916.7188 20398.9525 14362.1770 255.4244 -203456.6270 2483.3247 0.0000 0.0000 52008.8891 -110031.1405 298.8958 -162040.0296 -109671.4398 298.3398 -56.4859 -17.7058 759813.2747 3.0641 3.0881 PRESSURE: 3678400 7.02633 -77.0624 106.913 -77.0625 110.087 -37.3784 106.913 -37.3783 432.68 GPRESSURE: 3678400 12.4573 -29.6456 89.4335 -116.815 184.613 -72.8288 23.1051 64.5424 449.505 PRESSAVG: 3678400 -23.347 28.5894 -30.7365 28.5893 -3.95973 -64.9484 -30.7365 -64.9484 16.8791 GPRESSAVG: 3678400 -23.1627 30.6239 -29.9935 28.6617 -4.85669 -65.8764 -30.9725 -66.9174 17.4104 TIMING: 3678400 CPU: 11688.2, 0.00315612/step Wall: 11688.2, 0.00315612/step, 1.15865 hours remaining, 243.898438 MB of memory in use. ENERGY: 3678400 3929.0746 20471.5892 14421.6691 250.5352 -203227.4389 2307.4585 0.0000 0.0000 51791.9111 -110055.2013 297.6488 -161847.1124 -109701.9518 298.1346 183.2642 215.5251 760078.6484 -3.4759 -3.5363 PRESSURE: 3678600 289.334 -209.127 -65.6568 -209.127 20.393 12.5977 -65.6571 12.598 40.6978 GPRESSURE: 3678600 292.726 -95.7732 -7.67027 -197.705 42.0722 50.9993 -70.3024 125.125 92.1411 PRESSAVG: 3678600 -4.99609 -31.6813 -5.90772 -31.6813 -26.0278 -19.6946 -5.90769 -19.6946 -4.16009 GPRESSAVG: 3678600 -4.65253 -32.7193 -5.80318 -32.2683 -25.4342 -18.9942 -6.3518 -20.4547 -5.13326 TIMING: 3678600 CPU: 11688.9, 0.00312007/step Wall: 11688.9, 0.00312007/step, 1.14524 hours remaining, 243.898438 MB of memory in use. ENERGY: 3678600 4002.8364 20392.3707 14405.9465 236.1325 -203388.7914 2309.7312 0.0000 0.0000 52102.1226 -109939.6516 299.4316 -162041.7741 -109575.3070 298.2403 116.8082 142.3132 759293.8907 -11.7280 -11.7400 PRESSURE: 3678800 61.2103 -216.684 -385.526 -216.684 84.2524 -38.1608 -385.527 -38.1607 -270.137 GPRESSURE: 3678800 11.7601 -169.515 -446.854 -190.238 200.949 -84.0009 -319.249 -66.733 -236.15 PRESSAVG: 3678800 25.1112 11.2089 -21.0137 11.209 -23.7722 -29.4349 -21.0137 -29.4349 13.3971 GPRESSAVG: 3678800 24.8176 10.1499 -22.2559 13.1138 -24.4059 -28.1353 -21.4396 -28.58 14.3771 TIMING: 3678800 CPU: 11689.5, 0.00310352/step Wall: 11689.5, 0.00310352/step, 1.13899 hours remaining, 243.898438 MB of memory in use. ENERGY: 3678800 3976.6344 20501.2218 14497.7073 240.5267 -203829.7746 2627.2468 0.0000 0.0000 52112.8795 -109873.5580 299.4934 -161986.4375 -109509.3587 299.0039 -41.5580 -7.8136 759021.6000 4.9120 4.9296 PRESSURE: 3679000 150.311 -232.053 77.7951 -232.053 66.1605 62.5289 77.7949 62.5283 256.183 GPRESSURE: 3679000 200.991 -162.155 78.3185 -186.423 47.1005 108.333 80.5334 31.4001 319.118 PRESSAVG: 3679000 -21.0931 11.2429 -31.3874 11.2429 18.6319 56.9709 -31.3874 56.9708 5.99345 GPRESSAVG: 3679000 -19.2185 12.8031 -29.8205 9.88342 18.3132 54.2771 -31.2311 57.6798 4.87329 TIMING: 3679000 CPU: 11690.1, 0.003138/step Wall: 11690.1, 0.003138/step, 1.15147 hours remaining, 243.898438 MB of memory in use. ENERGY: 3679000 3960.7057 20400.5186 14453.2477 231.9536 -203802.3757 2660.9220 0.0000 0.0000 52190.9124 -109904.1157 299.9419 -162095.0281 -109536.8247 298.9328 157.5514 189.0698 758398.8187 1.1774 1.3227 PRESSURE: 3679200 31.6532 -22.7144 -135.908 -22.7146 -215.441 23.2054 -135.909 23.2052 119.414 GPRESSURE: 3679200 11.2215 -18.9078 -93.2468 -47.4793 -83.9364 0.666329 -157.527 8.82565 68.7435 PRESSAVG: 3679200 41.4168 -30.1042 15.6567 -30.1042 -45.0504 38.8266 15.6567 38.8266 -8.54736 GPRESSAVG: 3679200 40.9553 -30.0942 14.3789 -30.6966 -44.6523 40.5839 15.4383 38.2759 -7.87369 TIMING: 3679200 CPU: 11690.7, 0.00312377/step Wall: 11690.7, 0.00312377/step, 1.14608 hours remaining, 243.898438 MB of memory in use. ENERGY: 3679200 3926.5976 20457.9535 14438.1977 239.3855 -203269.0074 2229.6781 0.0000 0.0000 52116.8392 -109860.3556 299.5162 -161977.1948 -109496.2068 298.8333 -21.4582 -1.3238 760130.9813 -4.0603 -3.8569 PRESSURE: 3679400 -248.868 -40.2605 -163.758 -40.2609 -432.786 17.1772 -163.758 17.177 584.743 GPRESSURE: 3679400 -102.897 -92.3823 -163.476 149.997 -423.366 100.306 -166.932 8.87805 508.789 PRESSAVG: 3679400 7.22825 -42.3952 -34.0924 -42.3951 17.4892 -11.5158 -34.0923 -11.5158 -30.8427 GPRESSAVG: 3679400 6.78031 -45.2714 -31.6372 -40.8215 18.2839 -12.0319 -35.4758 -10.796 -31.4754 TIMING: 3679400 CPU: 11691.4, 0.00311683/step Wall: 11691.4, 0.00311683/step, 1.14336 hours remaining, 243.898438 MB of memory in use. ENERGY: 3679400 3970.7343 20557.6659 14339.2202 258.0315 -203281.9004 2366.9773 0.0000 0.0000 52126.8522 -109662.4189 299.5737 -161789.2711 -109300.7093 298.7527 -32.3038 -5.8247 761852.9659 -2.0417 -2.1371 PRESSURE: 3679600 98.181 -109.789 144.672 -109.789 -20.8691 -64.366 144.671 -64.3675 -116.301 GPRESSURE: 3679600 117.499 -177.203 88.3839 -178.154 -38.6002 -64.5392 24.1873 -57.8226 -39.0375 PRESSAVG: 3679600 53.2161 53.4558 25.7308 53.4557 -18.6009 -18.9502 25.7307 -18.9502 17.8393 GPRESSAVG: 3679600 53.3859 55.508 23.4661 50.7669 -18.8662 -19.9164 25.4832 -18.7802 17.8045 TIMING: 3679600 CPU: 11692, 0.00314223/step Wall: 11692, 0.00314223/step, 1.1525 hours remaining, 243.898438 MB of memory in use. ENERGY: 3679600 4042.2547 20406.4326 14443.5431 247.3392 -203171.9263 2396.8855 0.0000 0.0000 51917.8102 -109717.6612 298.3724 -161635.4714 -109353.2658 299.0837 -12.9964 13.2871 759644.1468 17.4848 17.4414 PRESSURE: 3679800 -381.586 -206.048 33.6951 -206.047 -307.312 96.3062 33.6942 96.3066 199.163 GPRESSURE: 3679800 -241.324 -282.132 23.3803 -173.822 -350.115 111.545 -74.2353 -38.9976 187.442 PRESSAVG: 3679800 44.2373 27.4111 -8.57778 27.411 -34.8572 -39.3015 -8.57776 -39.3014 8.97571 GPRESSAVG: 3679800 43.7987 29.2171 -5.87958 26.4267 -33.8942 -38.5506 -8.2559 -39.9664 8.89174 TIMING: 3679800 CPU: 11692.6, 0.00312634/step Wall: 11692.6, 0.00312634/step, 1.1465 hours remaining, 243.898438 MB of memory in use. ENERGY: 3679800 4004.8994 20514.6429 14324.4861 231.4289 -203466.4055 2501.0995 0.0000 0.0000 52348.7713 -109541.0774 300.8491 -161889.8487 -109173.0762 299.2184 -163.2451 -134.6658 760943.6214 6.1186 6.2654 PRESSURE: 3680000 25.0132 52.8398 155.575 52.8397 350.632 -108.412 155.575 -108.41 -78.6244 GPRESSURE: 3680000 172.516 21.0134 110.362 9.91479 281.696 -68.51 20.9883 -80.5715 -57.1608 PRESSAVG: 3680000 16.1076 17.4785 -38.8911 17.4785 5.94757 9.75361 -38.8912 9.75361 -6.08591 GPRESSAVG: 3680000 16.6063 16.5086 -42.5706 17.9754 4.99452 11.123 -37.7486 9.30571 -5.21348 TIMING: 3680000 CPU: 11693.2, 0.00312348/step Wall: 11693.2, 0.00312348/step, 1.14528 hours remaining, 243.898438 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: 3680000 3979.2547 20451.6141 14455.1511 241.7151 -203447.5814 2702.6809 0.0000 0.0000 52135.1872 -109481.9783 299.6216 -161617.1655 -109119.5471 299.6305 99.0070 132.3505 760909.0425 5.3231 5.4624 PRESSURE: 3680200 -270.968 158.575 265.854 158.575 -85.8455 -8.164 265.854 -8.16336 -250.095 GPRESSURE: 3680200 -232.682 201.108 260.069 199.639 -32.7408 61.5707 283.748 97.0061 -269.556 PRESSAVG: 3680200 -9.1514 -36.4224 -42.1733 -36.4224 29.4348 -37.8919 -42.1734 -37.8919 15.6622 GPRESSAVG: 3680200 -10.1699 -35.3041 -39.5009 -34.8196 29.619 -39.4197 -43.4143 -34.8799 16.2226 TIMING: 3680200 CPU: 11693.9, 0.00312032/step Wall: 11693.9, 0.00312032/step, 1.14394 hours remaining, 243.898438 MB of memory in use. ENERGY: 3680200 3979.9760 20483.0406 14460.9289 258.4313 -203377.9820 2480.3455 0.0000 0.0000 52069.5596 -109645.7003 299.2445 -161715.2598 -109286.2671 299.4671 -202.3027 -178.3265 761232.9561 11.9819 11.8906 LDB: ============= START OF LOAD BALANCING ============== 11706.3 LDB: ============== END OF LOAD BALANCING =============== 11706.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11706.3 LDB: ============= START OF LOAD BALANCING ============== 11706.6 LDB: Largest compute 7024 load 0.034178 is 17.5% of average load 0.195473 LDB: Average compute 0.004389 is 2.2% of average load 0.195473 LDB: TIME 11706.6 LOAD: AVG 0.195473 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 11706.6 LOAD: AVG 0.195473 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 11706.6 LOAD: AVG 0.195473 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 11706.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11706.6 PRESSURE: 3680400 -37.7662 77.4483 129.218 77.4482 -134.408 -44.2503 129.217 -44.2507 146.414 GPRESSURE: 3680400 -71.6473 97.5336 149.716 -38.8532 -65.2912 -39.423 341.075 -142.922 171.323 PRESSAVG: 3680400 -33.6705 -18.4872 -70.6852 -18.4872 57.9463 -32.661 -70.6852 -32.661 1.69265 GPRESSAVG: 3680400 -33.144 -19.4123 -70.987 -19.7935 58.2831 -31.766 -70.1214 -35.1973 1.11158 TIMING: 3680400 CPU: 11694.5, 0.00321374/step Wall: 11694.5, 0.00321374/step, 1.17801 hours remaining, 239.324219 MB of memory in use. ENERGY: 3680400 4008.4178 20475.9754 14445.9311 257.7222 -203685.0136 2812.4333 0.0000 0.0000 52196.2021 -109488.3317 299.9723 -161684.5338 -109133.9885 299.2682 -8.5866 11.4615 760014.0093 8.6561 8.7502 PRESSURE: 3680600 -164.715 189.217 -151.209 189.216 18.3348 -56.6865 -151.209 -56.6864 -109.124 GPRESSURE: 3680600 -112.95 262.688 -209.018 241.719 77.2084 15.2337 -205.343 -106.746 -133.618 PRESSAVG: 3680600 -23.74 2.75898 -51.7751 2.75897 44.2516 -22.2357 -51.7751 -22.2357 7.51417 GPRESSAVG: 3680600 -22.6846 -0.999475 -50.6674 4.20825 45.0565 -22.5831 -50.6868 -22.3775 6.6272 TIMING: 3680600 CPU: 11695.1, 0.0031324/step Wall: 11695.1, 0.0031324/step, 1.14803 hours remaining, 239.324219 MB of memory in use. ENERGY: 3680600 3998.9058 20445.6869 14475.1422 253.5270 -203234.6419 2493.7971 0.0000 0.0000 52227.6575 -109339.9253 300.1531 -161567.5829 -108975.5950 299.8593 -85.1681 -56.4529 761340.7601 9.3419 9.6664 PRESSURE: 3680800 -5.88229 120.424 6.15062 120.425 -100.079 73.4043 6.15102 73.4041 113.529 GPRESSURE: 3680800 56.9031 48.9946 -55.703 15.8575 -2.65672 57.8321 184.344 210.586 47.7893 PRESSAVG: 3680800 -56.3391 6.00656 26.4031 6.00653 35.295 -27.1891 26.4032 -27.1891 -5.52456 GPRESSAVG: 3680800 -55.9861 9.45435 23.3447 4.38869 34.6457 -29.1071 25.1209 -25.5982 -4.51252 TIMING: 3680800 CPU: 11695.8, 0.00315517/step Wall: 11695.8, 0.00315517/step, 1.15619 hours remaining, 239.324219 MB of memory in use. ENERGY: 3680800 3968.8311 20449.7838 14412.5697 243.8716 -202819.9729 2140.0966 0.0000 0.0000 52125.6712 -109479.1488 299.5669 -161604.8200 -109119.5404 299.6279 2.5227 34.0119 760218.6856 -8.8562 -8.6176 PRESSURE: 3681000 -109.77 -26.7701 -193.078 -26.7703 136.13 -111.329 -193.079 -111.329 -77.3836 GPRESSURE: 3681000 -76.3821 0.601931 -87.1823 -76.2054 216.333 -131.338 -133.086 -73.8672 -87.8488 PRESSAVG: 3681000 -5.45257 8.09172 21.9077 8.09164 -14.6575 -30.606 21.9076 -30.606 -33.1937 GPRESSAVG: 3681000 -5.64525 7.87031 23.1454 10.037 -14.1802 -31.1566 23.7565 -29.7738 -33.1471 TIMING: 3681000 CPU: 11696.4, 0.00313377/step Wall: 11696.4, 0.00313377/step, 1.14818 hours remaining, 239.324219 MB of memory in use. ENERGY: 3681000 4054.3628 20572.6086 14427.7587 230.7003 -203287.6741 2424.4538 0.0000 0.0000 52268.2666 -109309.5234 300.3864 -161577.7899 -108956.9334 299.4850 -17.0079 17.3675 760204.0438 -17.7679 -17.6575 PRESSURE: 3681200 -19.0774 -216.569 137.755 -216.569 -129.241 221.178 137.755 221.178 109.999 GPRESSURE: 3681200 55.1311 -73.6201 87.9243 -144.102 -115.702 175.461 143.085 177.256 122.771 PRESSAVG: 3681200 17.3787 -24.3488 -22.4232 -24.3488 -19.0064 14.0811 -22.4232 14.0812 6.91017 GPRESSAVG: 3681200 17.0585 -22.8699 -22.9496 -24.8047 -18.6794 15.6312 -22.6771 12.8087 7.6028 TIMING: 3681200 CPU: 11697, 0.00314863/step Wall: 11697, 0.00314863/step, 1.15345 hours remaining, 239.324219 MB of memory in use. ENERGY: 3681200 3977.8296 20539.7907 14428.5952 248.8031 -203192.1294 2402.2282 0.0000 0.0000 52021.2705 -109573.6120 298.9670 -161594.8826 -109216.5571 299.4537 -12.7731 20.7335 762100.8827 1.7608 1.9940 PRESSURE: 3681400 -64.0592 -96.8705 20.0069 -96.8714 120.895 -167.297 20.0068 -167.297 1.62515 GPRESSURE: 3681400 -102.143 -198.237 -124.35 -17.0782 164.441 -245.999 16.1344 -246.078 93.5019 PRESSAVG: 3681400 -6.97454 -9.36456 -18.0785 -9.36455 26.0566 12.3951 -18.0785 12.3951 -14.3071 GPRESSAVG: 3681400 -6.04308 -12.117 -17.2959 -7.62045 25.3586 13.9662 -18.9145 10.5134 -14.977 TIMING: 3681400 CPU: 11697.6, 0.0031453/step Wall: 11697.6, 0.0031453/step, 1.15205 hours remaining, 239.324219 MB of memory in use. ENERGY: 3681400 4013.3664 20536.9172 14394.4141 245.1098 -202986.1924 2362.7802 0.0000 0.0000 51952.9381 -109480.6666 298.5742 -161433.6047 -109110.1570 299.0293 19.4868 51.9333 761826.6339 1.5917 1.4462 PRESSURE: 3681600 196.947 79.301 134.864 79.3006 286.109 161.158 134.864 161.158 229.873 GPRESSURE: 3681600 176.143 93.2284 44.4377 92.8912 250.051 191.975 226.37 235.911 367.71 PRESSAVG: 3681600 12.7561 6.0472 30.3731 6.04724 36.0277 -50.7095 30.3731 -50.7094 -12.0703 GPRESSAVG: 3681600 12.5814 6.65533 28.9393 4.56004 36.103 -51.5532 30.7546 -49.9198 -11.7731 TIMING: 3681600 CPU: 11698.3, 0.00312975/step Wall: 11698.3, 0.00312975/step, 1.14619 hours remaining, 239.324219 MB of memory in use. ENERGY: 3681600 4047.4693 20463.4236 14392.3081 245.0610 -203352.9420 2634.7632 0.0000 0.0000 52171.2082 -109398.7086 299.8287 -161569.9168 -109042.0847 299.4876 237.6429 264.6346 761509.7285 12.2379 12.3038 PRESSURE: 3681800 -72.6243 113.229 -227.073 113.228 -218.093 188.417 -227.073 188.417 -11.73 GPRESSURE: 3681800 -93.0319 4.61859 -203.246 161.501 -158.071 208.35 -235.637 115.916 40.0362 PRESSAVG: 3681800 16.2736 -16.4571 -11.3411 -16.4572 -9.47687 39.7085 -11.3411 39.7085 -10.5969 GPRESSAVG: 3681800 15.423 -18.091 -8.23268 -16.4252 -9.72723 39.8244 -12.9343 38.4919 -9.6132 TIMING: 3681800 CPU: 11698.9, 0.00312831/step Wall: 11698.9, 0.00312831/step, 1.14548 hours remaining, 239.324219 MB of memory in use. ENERGY: 3681800 4024.0804 20579.9989 14403.6712 241.7544 -203409.1202 2672.1703 0.0000 0.0000 52123.0590 -109364.3861 299.5519 -161487.4450 -109001.1553 299.7946 -100.8157 -70.3557 761550.5166 -1.2667 -1.3058 PRESSURE: 3682000 153.85 -95.9267 66.2777 -95.9275 45.1903 -144.115 66.2777 -144.115 173.545 GPRESSURE: 3682000 189.062 -17.1401 6.03426 -144.579 106.357 -200.636 90.6972 -67.3041 178.919 PRESSAVG: 3682000 25.3332 12.5443 -41.8227 12.5442 -19.9093 21.8744 -41.8227 21.8745 24.3161 GPRESSAVG: 3682000 26.3689 13.6548 -43.9994 12.2543 -19.0446 20.2906 -38.9994 22.0948 23.3317 TIMING: 3682000 CPU: 11699.5, 0.00311868/step Wall: 11699.5, 0.00311868/step, 1.14178 hours remaining, 239.324219 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: 3682000 3995.4861 20533.1578 14464.0067 247.6356 -203052.8958 2485.5990 0.0000 0.0000 52282.8119 -109044.1987 300.4700 -161327.0106 -108689.7837 300.0003 124.1952 158.1126 760431.7788 9.9133 10.2187 PRESSURE: 3682200 -151.561 -48.9826 244.155 -48.9822 -112.673 -137.922 244.154 -137.923 -504.203 GPRESSURE: 3682200 -200.252 98.0062 260.091 -141.549 -1.09481 -64.7326 172.73 -246.135 -462.154 PRESSAVG: 3682200 33.7633 7.92505 1.03903 7.92505 -16.4609 0.424249 1.03903 0.424241 -19.4199 GPRESSAVG: 3682200 33.5635 10.3418 2.647 6.80115 -15.4694 0.522152 -1.09239 0.322147 -19.9408 TIMING: 3682200 CPU: 11700.1, 0.00314023/step Wall: 11700.1, 0.00314023/step, 1.1495 hours remaining, 239.324219 MB of memory in use. ENERGY: 3682200 4117.4579 20571.5967 14363.6557 246.7394 -202861.3382 2215.9928 0.0000 0.0000 52087.9750 -109257.9208 299.3503 -161345.8958 -108903.1148 300.2413 -256.1459 -221.1670 759610.6078 -0.7058 -0.6156 PRESSURE: 3682400 -55.9309 72.8946 -122.398 72.8945 -134.741 94.5865 -122.399 94.5869 291.822 GPRESSURE: 3682400 -25.6759 170.006 -76.2228 -40.7311 -42.9402 165.374 -75.9355 124.767 256.065 PRESSAVG: 3682400 52.5002 -2.53281 5.40295 -2.53279 -21.8286 -7.63432 5.40292 -7.63434 21.257 GPRESSAVG: 3682400 51.2631 -3.89526 3.11274 -2.48155 -21.8024 -6.17446 7.59336 -8.80533 22.5411 TIMING: 3682400 CPU: 11700.8, 0.0031149/step Wall: 11700.8, 0.0031149/step, 1.14005 hours remaining, 239.324219 MB of memory in use. ENERGY: 3682400 3968.2770 20534.2980 14419.4450 246.7362 -203086.6131 2417.8603 0.0000 0.0000 52539.5465 -108960.4501 301.9455 -161499.9966 -108588.4816 300.0542 33.7167 62.4831 760187.4450 17.3095 17.3339 PRESSURE: 3682600 -299.705 -151.274 -226.853 -151.274 -124.324 -221.247 -226.852 -221.246 577.429 GPRESSURE: 3682600 -161.379 -149.681 -227.585 -138.783 -100.636 -133.785 -351.659 -94.7775 483.607 PRESSAVG: 3682600 -64.5707 -35.6431 6.21955 -35.6431 49.7263 -19.2958 6.21953 -19.2959 11.6847 GPRESSAVG: 3682600 -63.1791 -35.8381 7.81485 -34.5368 48.5351 -19.9786 6.14122 -18.2026 11.4568 TIMING: 3682600 CPU: 11701.4, 0.00312142/step Wall: 11701.4, 0.00312142/step, 1.14227 hours remaining, 239.324219 MB of memory in use. ENERGY: 3682600 3991.3119 20503.6891 14444.4952 235.6164 -202969.7175 2347.7654 0.0000 0.0000 52227.2406 -109219.5990 300.1507 -161446.8395 -108851.8771 300.1393 51.1335 73.8641 760665.0112 -1.0532 -1.0624 PRESSURE: 3682800 -0.278867 -71.5571 165.911 -71.5584 -315.228 81.1125 165.911 81.1131 -297.889 GPRESSURE: 3682800 27.7726 -119.324 186.327 -38.5193 -278.481 132.079 241.442 84.2789 -293.364 PRESSAVG: 3682800 -1.99254 -42.5293 -9.09652 -42.5293 19.1137 -34.8541 -9.09656 -34.8541 -0.837408 GPRESSAVG: 3682800 -1.76272 -41.478 -9.47846 -42.6824 19.2996 -34.2003 -10.8757 -35.3514 -0.752092 TIMING: 3682800 CPU: 11702, 0.00311507/step Wall: 11702, 0.00311507/step, 1.13977 hours remaining, 239.324219 MB of memory in use. ENERGY: 3682800 3987.0100 20417.2991 14462.6657 246.4185 -203084.4421 2401.6845 0.0000 0.0000 52120.6714 -109448.6930 299.5382 -161569.3643 -109084.6587 299.2685 -204.4654 -181.3575 760665.5460 5.4279 5.5949 PRESSURE: 3683000 -33.269 105.026 -35.0193 105.026 -370.094 -85.9661 -35.0199 -85.9659 62.0626 GPRESSURE: 3683000 -45.0879 -23.1044 -34.015 1.6765 -331.545 -105.11 -78.4867 -105.355 123.377 PRESSAVG: 3683000 -0.871212 -23.0612 -16.0331 -23.0612 -27.2763 -33.2467 -16.0331 -33.2467 -13.4711 GPRESSAVG: 3683000 -1.77757 -25.239 -16.4772 -23.2626 -27.7986 -32.9041 -15.3537 -31.1033 -12.387 TIMING: 3683000 CPU: 11702.6, 0.00312681/step Wall: 11702.6, 0.00312681/step, 1.14389 hours remaining, 239.324219 MB of memory in use. ENERGY: 3683000 3991.0517 20452.6575 14486.2479 244.2070 -202448.9922 2024.6514 0.0000 0.0000 51697.2062 -109552.9705 297.1046 -161250.1767 -109190.4621 299.7789 -113.7667 -84.4185 761646.6187 -13.8729 -13.9877 PRESSURE: 3683200 79.9738 -240.235 0.721379 -240.234 80.6678 -32.7452 0.722133 -32.7453 306.355 GPRESSURE: 3683200 161.814 -207.214 50.9967 -129.702 92.9582 -67.1751 26.1335 -129.08 300.259 PRESSAVG: 3683200 6.61219 -56.4256 -15.4069 -56.4256 -53.4735 39.1976 -15.4069 39.1977 -3.7753 GPRESSAVG: 3683200 6.92408 -55.3115 -16.128 -53.7581 -53.1956 40.002 -14.1394 39.0793 -4.21968 TIMING: 3683200 CPU: 11703.3, 0.00310455/step Wall: 11703.3, 0.00310455/step, 1.13558 hours remaining, 239.324219 MB of memory in use. ENERGY: 3683200 4010.4446 20644.8309 14416.4025 247.9121 -203576.0825 2714.1134 0.0000 0.0000 52093.2954 -109449.0836 299.3809 -161542.3790 -109103.5852 299.4590 155.6655 185.0105 759819.7221 -16.8789 -16.8304 PRESSURE: 3683400 50.2071 -72.4039 185.029 -72.4049 -126.421 -122.113 185.029 -122.113 -127.792 GPRESSURE: 3683400 45.3995 134.767 120.447 -33.9411 -95.1539 -101.844 59.8053 -41.8527 -80.3542 PRESSAVG: 3683400 -20.3093 -37.4878 36.0937 -37.4877 -7.50481 26.1454 36.0937 26.1453 2.76579 GPRESSAVG: 3683400 -20.1284 -36.6754 36.5115 -40.7613 -8.23531 23.8952 33.2107 25.6762 3.57293 TIMING: 3683400 CPU: 11703.9, 0.00309373/step Wall: 11703.9, 0.00309373/step, 1.13145 hours remaining, 239.324219 MB of memory in use. ENERGY: 3683400 3999.5667 20716.1317 14448.7904 253.7514 -203304.8351 2432.2104 0.0000 0.0000 52058.9392 -109395.4452 299.1834 -161454.3845 -109035.0364 299.8065 -68.0019 -43.3696 760316.2038 -8.3495 -8.2636 PRESSURE: 3683600 94.4835 -12.3819 28.2482 -12.3816 -21.7568 25.5859 28.2478 25.5859 299.091 GPRESSURE: 3683600 94.9199 -42.8314 -7.80655 51.1257 82.6661 -29.9921 68.5193 40.4669 269.202 PRESSAVG: 3683600 42.6237 -8.87579 -12.7998 -8.87582 26.3728 23.5301 -12.7997 23.53 -9.36585 GPRESSAVG: 3683600 42.7614 -12.1764 -12.4992 -7.03365 27.7601 23.9627 -11.5021 24.2786 -10.9995 TIMING: 3683600 CPU: 11704.5, 0.00310429/step Wall: 11704.5, 0.00310429/step, 1.13514 hours remaining, 239.324219 MB of memory in use. ENERGY: 3683600 3928.8414 20617.0586 14497.4081 234.0200 -203772.7492 2810.0509 0.0000 0.0000 52056.2145 -109629.1558 299.1678 -161685.3703 -109267.0514 299.7213 123.9394 148.9293 761453.7094 19.8769 19.8407 PRESSURE: 3683800 -8.34004 -53.5285 80.0167 -53.5282 309.442 359.879 80.017 359.879 12.0958 GPRESSURE: 3683800 -7.96294 -43.199 44.6873 -53.0337 350.329 408.722 215.559 353.985 71.2514 PRESSAVG: 3683800 -1.27012 -57.0225 52.962 -57.0224 19.285 28.298 52.962 28.2979 14.5557 GPRESSAVG: 3683800 -0.76602 -56.3572 52.7225 -57.1458 18.361 28.7834 54.2931 28.2022 14.7806 TIMING: 3683800 CPU: 11705.1, 0.00309655/step Wall: 11705.1, 0.00309655/step, 1.13213 hours remaining, 239.324219 MB of memory in use. ENERGY: 3683800 3900.4626 20462.8252 14469.8599 227.7706 -203805.6168 2874.2768 0.0000 0.0000 52013.7931 -109856.6287 298.9240 -161870.4218 -109491.6612 298.9426 104.3991 137.8726 761238.7366 10.8569 10.7919 PRESSURE: 3684000 3.53969 222.035 122.552 222.034 -171.192 93.8681 122.552 93.8686 -53.2592 GPRESSURE: 3684000 4.41815 220.533 107.707 214.9 -56.3809 130.822 -1.82788 165.04 -55.7168 PRESSAVG: 3684000 35.4798 -45.326 73.8663 -45.326 1.315 23.886 73.8664 23.886 -2.42916 GPRESSAVG: 3684000 34.5273 -42.7438 73.9862 -46.4806 3.57266 22.0175 71.1597 23.3151 -3.38482 TIMING: 3684000 CPU: 11705.7, 0.00310511/step Wall: 11705.7, 0.00310511/step, 1.13509 hours remaining, 239.324219 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: 3684000 4059.2943 20485.1571 14452.4282 248.8682 -203598.5532 2551.1272 0.0000 0.0000 52157.7184 -109643.9599 299.7511 -161801.6783 -109290.7622 298.9725 -73.6371 -35.8932 759541.0357 11.4552 11.5717 PRESSURE: 3684200 -69.5175 173.243 56.5924 173.243 161.356 -28.3161 56.5918 -28.3164 33.6689 GPRESSURE: 3684200 20.5579 135.218 60.8055 114.374 114.62 -4.61606 133.6 -103.313 59.653 PRESSAVG: 3684200 48.023 -31.1887 14.8562 -31.1888 -42.4011 7.78172 14.8562 7.78171 19.8699 GPRESSAVG: 3684200 47.8819 -33.6935 14.6383 -29.9675 -44.6604 9.65601 18.0489 8.61574 22.2084 TIMING: 3684200 CPU: 11706.4, 0.00309541/step Wall: 11706.4, 0.00309541/step, 1.13137 hours remaining, 239.324219 MB of memory in use. ENERGY: 3684200 4014.9174 20432.7061 14383.7252 228.7756 -203487.5260 2622.8158 0.0000 0.0000 52057.0577 -109747.5282 299.1726 -161804.5859 -109380.5327 299.0111 41.8359 64.9437 759116.7979 8.4973 8.4766 LDB: ============= START OF LOAD BALANCING ============== 11718.8 LDB: ============== END OF LOAD BALANCING =============== 11718.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11718.8 LDB: ============= START OF LOAD BALANCING ============== 11719.1 LDB: Largest compute 7048 load 0.031264 is 16.0% of average load 0.195410 LDB: Average compute 0.004369 is 2.2% of average load 0.195410 LDB: TIME 11719.1 LOAD: AVG 0.19541 MAX 0.217482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 11719.1 LOAD: AVG 0.19541 MAX 0.217482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: TIME 11719.1 LOAD: AVG 0.19541 MAX 0.217482 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: ============== END OF LOAD BALANCING =============== 11719.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11719.1 PRESSURE: 3684400 230.633 -138.41 49.7983 -138.411 39.5056 40.4309 49.7986 40.4305 58.5886 GPRESSURE: 3684400 202.125 -174.742 52.6967 -151.493 126.816 -8.98981 52.5628 29.5393 69.3087 PRESSAVG: 3684400 28.5246 14.4652 37.5406 14.4652 -21.391 18.4675 37.5406 18.4676 15.851 GPRESSAVG: 3684400 29.5927 15.9922 39.4057 14.4216 -21.3935 17.9734 37.0092 18.2592 15.2457 TIMING: 3684400 CPU: 11707, 0.00317254/step Wall: 11707, 0.00317254/step, 1.15939 hours remaining, 242.148438 MB of memory in use. ENERGY: 3684400 3990.3813 20567.2586 14458.6321 275.6421 -203195.7257 2340.0215 0.0000 0.0000 51985.7281 -109578.0621 298.7627 -161563.7901 -109208.4362 298.9284 109.5756 132.7497 760264.9339 7.6615 7.8150 PRESSURE: 3684600 222.719 19.1539 85.6214 19.1553 -113.866 -95.9114 85.6213 -95.9103 113.081 GPRESSURE: 3684600 149.333 98.5811 76.8825 -24.4588 8.56111 -100.074 119.696 -114.279 154.579 PRESSAVG: 3684600 51.8929 -40.171 12.4476 -40.171 -14.6161 -7.51585 12.4476 -7.51581 17.2294 GPRESSAVG: 3684600 51.2782 -41.8845 11.6337 -40.8344 -13.6667 -7.87247 8.25577 -6.94725 16.7531 TIMING: 3684600 CPU: 11707.6, 0.00310578/step Wall: 11707.6, 0.00310578/step, 1.13482 hours remaining, 242.351562 MB of memory in use. ENERGY: 3684600 4062.5613 20345.1615 14361.1452 237.9784 -203348.7277 2539.0858 0.0000 0.0000 52190.4581 -109612.3373 299.9393 -161802.7954 -109240.3933 299.1938 73.9779 104.1578 759483.9776 18.1687 18.1215 PRESSURE: 3684800 11.0069 -296.579 -114.121 -296.579 42.4932 -27.8461 -114.121 -27.8458 -13.2526 GPRESSURE: 3684800 80.5401 -222.977 -166.255 -313.684 97.6469 -34.4467 -64.0103 -20.7316 -23.9021 PRESSAVG: 3684800 -43.4849 -19.4921 18.2415 -19.4921 67.717 -31.2929 18.2415 -31.2929 -10.327 GPRESSAVG: 3684800 -42.5194 -18.1056 16.9983 -19.6524 67.837 -30.9203 22.4789 -32.4762 -11.7812 TIMING: 3684800 CPU: 11708.2, 0.0031388/step Wall: 11708.2, 0.0031388/step, 1.14671 hours remaining, 242.351562 MB of memory in use. ENERGY: 3684800 4026.8569 20477.9582 14451.0133 256.4795 -203383.3434 2384.2700 0.0000 0.0000 52048.6327 -109738.1329 299.1242 -161786.7656 -109382.2677 299.9515 13.4158 51.4283 759799.7077 4.6350 4.5122 PRESSURE: 3685000 42.1997 -104.454 89.5783 -104.454 123.354 -82.5603 89.5783 -82.5604 -145.33 GPRESSURE: 3685000 121.975 -71.2189 122.345 -34.2285 188.861 -171.429 75.3787 -32.3736 -203.111 PRESSAVG: 3685000 24.495 -41.9393 15.6248 -41.9393 -17.6029 18.4092 15.6248 18.4092 20.0902 GPRESSAVG: 3685000 22.9964 -41.0923 17.855 -40.1928 -17.7231 16.9212 13.0232 19.0972 21.3997 TIMING: 3685000 CPU: 11708.9, 0.00312682/step Wall: 11708.9, 0.00312682/step, 1.14216 hours remaining, 242.351562 MB of memory in use. ENERGY: 3685000 3926.0541 20570.5259 14480.0489 243.9915 -203651.7466 2603.7391 0.0000 0.0000 52125.7489 -109701.6383 299.5674 -161827.3871 -109338.5624 299.2914 6.7413 35.9082 760633.5937 8.9941 8.8910 PRESSURE: 3685200 -141.114 -241.439 -243.176 -241.439 -77.8673 51.5075 -243.175 51.5072 -241.905 GPRESSURE: 3685200 -134.004 -252.677 -268.28 -229.68 -26.1698 82.3464 -141.258 -100.897 -215.174 PRESSAVG: 3685200 15.0895 -18.088 -17.3058 -18.088 1.68883 -2.29797 -17.3058 -2.29797 -6.93425 GPRESSAVG: 3685200 14.5172 -18.8478 -20.0171 -19.791 1.2197 -0.64221 -16.5217 -4.36158 -6.2935 TIMING: 3685200 CPU: 11709.5, 0.00311928/step Wall: 11709.5, 0.00311928/step, 1.13923 hours remaining, 242.351562 MB of memory in use. ENERGY: 3685200 4034.9245 20528.9006 14490.1902 245.8018 -203408.8334 2490.5095 0.0000 0.0000 51968.2905 -109650.2163 298.6625 -161618.5069 -109300.0457 299.3455 -153.6288 -125.1158 762572.9060 3.2814 3.1478 PRESSURE: 3685400 -258.18 0.330734 5.09517 0.330453 85.3853 195.508 5.09492 195.508 -123.336 GPRESSURE: 3685400 -147.534 -22.2847 -103.28 -9.98556 6.45568 192.146 -26.397 243.332 -69.1396 PRESSAVG: 3685400 -16.4486 -60.857 14.0537 -60.8571 0.454985 34.2072 14.0538 34.2073 4.9524 GPRESSAVG: 3685400 -14.4668 -60.5172 14.7514 -62.0688 -1.92998 33.1117 13.3861 36.0135 5.45895 TIMING: 3685400 CPU: 11710.1, 0.00312391/step Wall: 11710.1, 0.00312391/step, 1.14075 hours remaining, 242.351562 MB of memory in use. ENERGY: 3685400 4067.2994 20411.8528 14512.5516 256.7463 -203490.9946 2484.4485 0.0000 0.0000 51951.9104 -109806.1856 298.5683 -161758.0960 -109442.1902 299.4224 -98.7101 -70.0728 761247.1142 -3.6804 -3.6460 PRESSURE: 3685600 -192.722 -14.1671 -215.326 -14.1664 -106.086 -54.2676 -215.327 -54.2666 -176.799 GPRESSURE: 3685600 -97.9105 -56.9597 -82.2992 -70.7953 -83.0081 -47.9822 -208.575 -71.7316 -211.838 PRESSAVG: 3685600 -24.4637 -23.4732 -3.47563 -23.4732 61.7841 18.655 -3.47564 18.655 -30.7268 GPRESSAVG: 3685600 -25.5867 -22.8502 -3.79455 -23.078 62.8434 18.0645 -4.83071 19.1543 -30.7604 TIMING: 3685600 CPU: 11710.7, 0.00311815/step Wall: 11710.7, 0.00311815/step, 1.13847 hours remaining, 242.351562 MB of memory in use. ENERGY: 3685600 4039.1209 20567.0245 14482.7751 228.5913 -203582.7866 2584.7310 0.0000 0.0000 51957.0978 -109723.4462 298.5982 -161680.5440 -109359.8480 298.8876 -158.5353 -130.9188 761600.7591 2.1978 2.1654 PRESSURE: 3685800 -96.2177 41.0512 -81.8564 41.051 251.717 -53.7686 -81.8573 -53.769 -45.9374 GPRESSURE: 3685800 -131.405 28.7119 -19.5741 99.9947 252.553 2.4869 -133.62 18.3576 64.7028 PRESSAVG: 3685800 -30.1052 -19.0357 -37.4792 -19.0357 14.4661 13.0486 -37.4792 13.0486 0.544034 GPRESSAVG: 3685800 -30.2338 -18.8834 -38.7684 -18.6447 14.9332 15.4113 -35.0674 11.4307 0.216761 TIMING: 3685800 CPU: 11711.4, 0.00311925/step Wall: 11711.4, 0.00311925/step, 1.1387 hours remaining, 242.351562 MB of memory in use. ENERGY: 3685800 3939.9888 20414.9190 14467.8163 271.0468 -203066.7223 2545.3605 0.0000 0.0000 51998.2417 -109429.3492 298.8346 -161427.5909 -109085.1135 299.2089 36.5206 61.9503 761519.7787 -5.0317 -5.0279 PRESSURE: 3686000 -338.814 -63.4343 -260.761 -63.4351 114.353 -33.9334 -260.76 -33.9345 132.258 GPRESSURE: 3686000 -280.068 22.7857 -276.42 -164.333 192.246 55.1455 -242.286 -30.7224 94.3618 PRESSAVG: 3686000 -23.4609 -13.1601 -4.99554 -13.1601 24.0633 38.7828 -4.99552 38.7828 24.5162 GPRESSAVG: 3686000 -22.7449 -12.6901 -2.79456 -11.659 23.3922 38.5687 -4.31166 38.3435 24.1911 TIMING: 3686000 CPU: 11712, 0.00313409/step Wall: 11712, 0.00313409/step, 1.14394 hours remaining, 242.351562 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: 3686000 3948.5543 20353.2231 14470.2187 252.9994 -203278.1414 2624.3909 0.0000 0.0000 52249.2210 -109379.5340 300.2770 -161628.7549 -109015.7062 299.5434 -30.7342 2.1799 761697.0773 8.3729 8.2795 PRESSURE: 3686200 -173.784 -235.508 -7.806 -235.508 -282.873 -76.1809 -7.80527 -76.1819 -123.551 GPRESSURE: 3686200 -137.789 -67.5534 70.9206 -188.629 -197.312 -37.0825 94.0536 -81.2694 -164.227 PRESSAVG: 3686200 -47.2705 4.12184 18.6294 4.12187 24.2372 -26.6668 18.6295 -26.6668 -24.2868 GPRESSAVG: 3686200 -48.9681 4.97254 17.5617 3.60403 25.9097 -26.5848 17.6665 -25.4951 -25.0342 TIMING: 3686200 CPU: 11712.6, 0.00316174/step Wall: 11712.6, 0.00316174/step, 1.15386 hours remaining, 242.351562 MB of memory in use. ENERGY: 3686200 3967.4705 20530.8575 14409.7797 251.9886 -203249.3306 2419.6830 0.0000 0.0000 52019.2798 -109650.2716 298.9555 -161669.5514 -109293.0530 299.5380 -193.4025 -166.4426 761422.9315 -15.7734 -16.0309 PRESSURE: 3686400 -236.67 49.8471 350.788 49.8469 27.2739 224.276 350.788 224.276 424.333 GPRESSURE: 3686400 -130.918 51.9515 425.219 -12.0754 -43.624 197.597 201.731 101.044 455.901 PRESSAVG: 3686400 -70.2172 -28.9768 70.0472 -28.9768 61.622 10.0637 70.0471 10.0637 -5.18688 GPRESSAVG: 3686400 -69.4763 -30.3241 69.5348 -29.1325 61.5274 8.70827 70.4043 9.24337 -5.96875 TIMING: 3686400 CPU: 11713.3, 0.00313083/step Wall: 11713.3, 0.00313083/step, 1.1424 hours remaining, 242.351562 MB of memory in use. ENERGY: 3686400 3988.6882 20455.9052 14426.5108 231.8046 -203056.5121 2538.9318 0.0000 0.0000 52087.2218 -109327.4497 299.3460 -161414.6714 -108960.6046 299.3399 71.6457 93.7865 760930.8254 -4.5940 -4.6392 PRESSURE: 3686600 -91.5794 113.525 -178.797 113.525 132.102 -132.133 -178.798 -132.134 236.267 GPRESSURE: 3686600 -52.2788 65.0752 -248.942 73.0749 185.676 -125.167 6.04033 -173.868 242.158 PRESSAVG: 3686600 -16.1543 -70.6674 40.7418 -70.6674 -12.5754 32.6411 40.7417 32.6411 3.22203 GPRESSAVG: 3686600 -16.0662 -68.6626 43.6681 -73.5457 -13.7933 35.1446 40.4748 32.1802 4.34296 TIMING: 3686600 CPU: 11713.9, 0.00311439/step Wall: 11713.9, 0.00311439/step, 1.13623 hours remaining, 242.351562 MB of memory in use. ENERGY: 3686600 3945.1212 20307.8849 14460.9023 252.1819 -202870.8533 2533.5447 0.0000 0.0000 52088.6326 -109282.5857 299.3541 -161371.2183 -108923.6671 299.7304 92.2631 125.1852 760678.0106 -8.5026 -8.5055 PRESSURE: 3686800 -194.064 32.2797 -118.376 32.2808 -118.86 197.872 -118.377 197.872 -11.4416 GPRESSURE: 3686800 -84.0938 -34.304 -157.954 30.3679 -162.939 179.328 -172.189 12.7385 6.69879 PRESSAVG: 3686800 -15.8691 -72.6566 -15.0707 -72.6567 37.8411 2.15641 -15.0708 2.15639 -14.5533 GPRESSAVG: 3686800 -16.2832 -74.4736 -17.5576 -70.7717 38.5436 0.893204 -14.7983 3.05867 -14.4782 TIMING: 3686800 CPU: 11714.5, 0.00310717/step Wall: 11714.5, 0.00310717/step, 1.13343 hours remaining, 242.351562 MB of memory in use. ENERGY: 3686800 4004.9439 20392.6421 14434.3440 265.9118 -202911.6983 2301.9661 0.0000 0.0000 52273.7794 -109238.1110 300.4181 -161511.8904 -108880.5521 300.2351 -108.1219 -80.1112 759307.2681 2.4729 2.5941 PRESSURE: 3687000 -96.1838 61.5916 15.8522 61.5916 -243.146 30.8346 15.8526 30.8338 -29.1617 GPRESSURE: 3687000 -137.878 20.3375 -16.7866 136.438 -138.831 22.29 -64.2956 138.33 8.32724 PRESSAVG: 3687000 28.8069 73.3849 -2.00947 73.3849 10.5822 -2.73049 -2.00949 -2.73047 25.9226 GPRESSAVG: 3687000 30.4978 75.0228 -0.69753 72.2821 10.3614 -2.22825 -2.14139 -1.18505 24.4836 TIMING: 3687000 CPU: 11715.1, 0.00311943/step Wall: 11715.1, 0.00311943/step, 1.13773 hours remaining, 242.351562 MB of memory in use. ENERGY: 3687000 3873.5155 20444.1601 14453.6335 225.3826 -202945.1891 2429.3648 0.0000 0.0000 52230.8964 -109288.2361 300.1717 -161519.1326 -108919.1656 300.0598 -122.8305 -89.4607 761709.4323 21.7706 21.7809 PRESSURE: 3687200 -338.131 198.69 47.5708 198.69 -133.652 111.162 47.5699 111.163 -60.3209 GPRESSURE: 3687200 -356.257 296.587 107.385 29.0002 -24.641 137.703 42.9704 113.891 -51.2684 PRESSAVG: 3687200 -3.95585 -10.4366 -2.12824 -10.4366 33.5244 37.308 -2.12826 37.308 2.04336 GPRESSAVG: 3687200 -4.36025 -13.0814 -2.08976 -9.44587 32.0499 37.0377 -2.18894 35.4103 3.37416 TIMING: 3687200 CPU: 11715.7, 0.00312889/step Wall: 11715.7, 0.00312889/step, 1.141 hours remaining, 242.351562 MB of memory in use. ENERGY: 3687200 3949.5423 20582.3127 14470.2728 235.6298 -202568.7908 2419.8213 0.0000 0.0000 51898.4858 -109012.7262 298.2613 -160911.2120 -108659.1376 299.7890 -177.3679 -144.0556 761702.4368 10.5373 10.3546 PRESSURE: 3687400 -561.538 -167.283 260.779 -167.284 -30.0303 -103.196 260.78 -103.195 -100.184 GPRESSURE: 3687400 -466.989 -72.2862 190.097 -167.253 -25.5422 -87.2755 202.039 -135.477 -132.425 PRESSAVG: 3687400 57.1751 -42.9515 12.9103 -42.9515 -0.870293 -2.9031 12.9103 -2.90305 11.9736 GPRESSAVG: 3687400 55.7192 -42.8618 12.1065 -42.92 0.949205 -3.21234 11.7577 -2.35205 11.4633 TIMING: 3687400 CPU: 11716.4, 0.0031192/step Wall: 11716.4, 0.0031192/step, 1.1373 hours remaining, 242.351562 MB of memory in use. ENERGY: 3687400 4098.4399 20564.1533 14482.7802 245.0788 -202616.1762 2254.8898 0.0000 0.0000 51852.9366 -109117.8975 297.9995 -160970.8341 -108767.5432 300.3380 -230.5842 -208.3188 762052.0810 22.7595 22.7106 PRESSURE: 3687600 -311.002 -155.348 -248.716 -155.348 -121.163 18.5921 -248.717 18.5917 -369.664 GPRESSURE: 3687600 -289.535 -94.946 -256.747 -153.771 -179.147 66.8941 -104.278 -30.9023 -246.365 PRESSAVG: 3687600 -96.508 -9.57263 -0.256017 -9.57261 71.9694 27.7042 -0.255972 27.7042 -8.95059 GPRESSAVG: 3687600 -95.8698 -8.58201 0.574583 -8.79428 72.0958 27.9825 -0.450432 26.6789 -9.0674 TIMING: 3687600 CPU: 11717, 0.0031084/step Wall: 11717, 0.0031084/step, 1.13318 hours remaining, 242.351562 MB of memory in use. ENERGY: 3687600 3949.8651 20297.7004 14482.9482 250.9861 -202439.2199 2118.3656 0.0000 0.0000 52184.3975 -109154.9569 299.9044 -161339.3544 -108798.3661 299.8057 -267.2764 -238.3490 763593.7770 -11.1630 -10.9471 PRESSURE: 3687800 -125.523 -130.759 123.41 -130.759 -373.799 157.387 123.411 157.386 -364.266 GPRESSURE: 3687800 -96.0966 -152.663 190.942 -75.1758 -353.139 152.792 12.5937 212.184 -331.076 PRESSAVG: 3687800 -68.1493 -27.8769 -25.1928 -27.8769 48.9439 22.9731 -25.1928 22.9731 -16.2082 GPRESSAVG: 3687800 -67.8705 -26.578 -26.4516 -29.0046 48.8425 21.3122 -25.1105 22.565 -15.5147 TIMING: 3687800 CPU: 11717.6, 0.00310838/step Wall: 11717.6, 0.00310838/step, 1.133 hours remaining, 242.351562 MB of memory in use. ENERGY: 3687800 3991.5356 20340.9265 14480.8270 224.7728 -202814.4018 2504.5366 0.0000 0.0000 52323.4634 -108948.3399 300.7037 -161271.8032 -108581.0952 300.2056 -287.8627 -260.1038 763811.7744 -11.8046 -11.5142 PRESSURE: 3688000 -181.426 -99.5256 33.3765 -99.5265 -9.91282 -38.9956 33.3759 -38.9956 98.2537 GPRESSURE: 3688000 -209.073 -62.9233 21.0422 -142.405 66.5463 -74.5355 -103.197 40.5631 130.129 PRESSAVG: 3688000 -59.1304 -10.611 -15.306 -10.611 41.9899 38.7492 -15.3059 38.7491 8.52424 GPRESSAVG: 3688000 -58.499 -10.3239 -14.6121 -10.3252 41.4797 37.4934 -16.6326 41.2498 8.08264 TIMING: 3688000 CPU: 11718.2, 0.00311504/step Wall: 11718.2, 0.00311504/step, 1.13526 hours remaining, 242.351562 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: 3688000 3973.3079 20322.9902 14402.5065 251.7122 -203037.5199 2652.9441 0.0000 0.0000 52522.4124 -108911.6466 301.8470 -161434.0590 -108548.1927 300.6064 -31.0282 -4.1325 763405.9258 -2.8721 -2.9789 PRESSURE: 3688200 -277.377 -57.2808 -285.285 -57.2814 244.898 31.4034 -285.285 31.4043 311.287 GPRESSURE: 3688200 -198.643 -79.7922 -213.396 -27.5723 276.54 20.0815 -128.215 82.7838 278.319 PRESSAVG: 3688200 -57.1868 -12.5213 10.5718 -12.5214 58.4997 40.3884 10.5718 40.3884 23.802 GPRESSAVG: 3688200 -55.9081 -11.9474 11.3777 -12.7233 58.5143 42.7027 12.6663 38.059 22.6157 TIMING: 3688200 CPU: 11718.9, 0.00314067/step Wall: 11718.9, 0.00314067/step, 1.14443 hours remaining, 242.351562 MB of memory in use. ENERGY: 3688200 3991.2938 20367.6074 14444.2433 247.9219 -203030.3927 2502.1888 0.0000 0.0000 52266.5676 -109210.5701 300.3767 -161477.1377 -108853.5284 299.8787 92.9361 118.7386 760856.6129 8.3716 8.4073 LDB: ============= START OF LOAD BALANCING ============== 11731.3 LDB: ============== END OF LOAD BALANCING =============== 11731.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11731.3 LDB: ============= START OF LOAD BALANCING ============== 11731.6 LDB: Largest compute 7075 load 0.031719 is 16.2% of average load 0.195320 LDB: Average compute 0.004369 is 2.2% of average load 0.195320 LDB: TIME 11731.6 LOAD: AVG 0.19532 MAX 0.216797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 11731.6 LOAD: AVG 0.19532 MAX 0.216797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: TIME 11731.6 LOAD: AVG 0.19532 MAX 0.216797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: ============== END OF LOAD BALANCING =============== 11731.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11731.6 PRESSURE: 3688400 82.5655 -40.5732 219.902 -40.5737 -40.4772 95.4702 219.902 95.4701 212.022 GPRESSURE: 3688400 150.224 41.38 128.014 47.0755 -37.419 -6.01357 251.486 28.2688 225.084 PRESSAVG: 3688400 -38.4137 -23.8339 76.4531 -23.8339 66.2827 11.8827 76.4531 11.8827 -33.8166 GPRESSAVG: 3688400 -39.9775 -23.1239 74.0821 -23.4032 66.6104 11.3015 76.9907 12.225 -32.9949 TIMING: 3688400 CPU: 11719.5, 0.00318167/step Wall: 11719.5, 0.00318167/step, 1.15919 hours remaining, 240.535156 MB of memory in use. ENERGY: 3688400 3906.8821 20396.1235 14462.8169 259.0539 -203425.1989 2830.7891 0.0000 0.0000 52347.4072 -109222.1262 300.8413 -161569.5334 -108862.0327 299.9136 84.7033 112.6298 761939.5808 -1.9825 -2.1206 PRESSURE: 3688600 128.987 -95.8632 -111.218 -95.8634 80.368 111.49 -111.217 111.489 -185.539 GPRESSURE: 3688600 208.098 -111.091 -95.4754 -187.051 -51.9417 29.0789 -156.131 102.217 -67.8125 PRESSAVG: 3688600 -7.99826 -42.8307 57.0997 -42.8307 -25.0498 25.8135 57.0997 25.8136 8.74208 GPRESSAVG: 3688600 -6.47415 -46.0007 59.4927 -42.3705 -27.1386 24.9018 55.0453 27.1186 9.059 TIMING: 3688600 CPU: 11720.1, 0.00313257/step Wall: 11720.1, 0.00313257/step, 1.14113 hours remaining, 240.535156 MB of memory in use. ENERGY: 3688600 3886.5896 20411.4309 14399.3926 250.4465 -203002.5748 2510.0955 0.0000 0.0000 52295.2582 -109249.3615 300.5416 -161544.6197 -108887.3175 300.1775 7.9389 29.4481 763913.8877 -8.1020 -8.1846 PRESSURE: 3688800 -67.1944 14.7755 -18.8467 14.7759 -43.9977 24.9047 -18.8462 24.9036 -266.673 GPRESSURE: 3688800 -110.25 71.7966 -40.3383 38.0072 18.6135 39.5773 -117.267 5.8924 -212.068 PRESSAVG: 3688800 -16.855 -21.1387 -5.63081 -21.1387 13.272 -1.56627 -5.63084 -1.56624 5.15463 GPRESSAVG: 3688800 -17.7679 -18.55 -7.35028 -23.6006 14.5292 -0.519586 -5.01281 -2.01114 5.0817 TIMING: 3688800 CPU: 11720.8, 0.00312529/step Wall: 11720.8, 0.00312529/step, 1.1383 hours remaining, 240.535156 MB of memory in use. ENERGY: 3688800 3988.4884 20474.5150 14461.4717 242.7876 -202736.0415 2271.8815 0.0000 0.0000 51834.2878 -109462.6094 297.8924 -161296.8972 -109108.1334 299.1892 -125.9549 -101.2350 763900.8705 0.5239 0.6143 PRESSURE: 3689000 -94.8593 -68.6588 -95.0226 -68.6598 -50.7781 -62.2925 -95.0235 -62.2928 -114.244 GPRESSURE: 3689000 -40.4314 -56.8271 -119.743 -4.11092 -43.9441 -82.922 -99.2655 8.35236 -85.2324 PRESSAVG: 3689000 30.5289 24.353 -25.722 24.3529 17.5311 1.47959 -25.722 1.47959 3.54812 GPRESSAVG: 3689000 29.3436 23.8443 -24.813 26.6209 18.9617 1.52576 -26.4844 1.60985 3.41504 TIMING: 3689000 CPU: 11721.4, 0.00312403/step Wall: 11721.4, 0.00312403/step, 1.13767 hours remaining, 240.535156 MB of memory in use. ENERGY: 3689000 3966.6243 20377.3673 14402.8522 239.2178 -203623.8931 2708.4133 0.0000 0.0000 52198.4993 -109730.9191 299.9855 -161929.4184 -109378.0077 298.9488 -86.6272 -56.5359 761636.3632 17.2027 17.2401 PRESSURE: 3689200 71.9805 23.5 188.583 23.5001 -16.3084 -13.0271 188.583 -13.0263 70.6107 GPRESSURE: 3689200 121.983 -96.4307 63.8893 -129.622 -64.5571 -85.9131 160.289 54.6847 141.046 PRESSAVG: 3689200 -56.001 -21.9166 33.4795 -21.9167 61.5828 29.5765 33.4795 29.5766 11.2248 GPRESSAVG: 3689200 -54.9695 -19.8547 33.9617 -24.9556 60.1559 28.0757 33.812 28.5574 11.5425 TIMING: 3689200 CPU: 11722, 0.00313878/step Wall: 11722, 0.00313878/step, 1.14286 hours remaining, 240.535156 MB of memory in use. ENERGY: 3689200 4051.5742 20511.4941 14490.7771 248.1268 -203263.4492 2490.0530 0.0000 0.0000 51833.7640 -109637.6601 297.8894 -161471.4241 -109287.7223 298.9895 42.0943 66.1572 762392.2626 5.6022 5.5763 PRESSURE: 3689400 -194.988 65.2951 281.756 65.296 205.701 -182.921 281.756 -182.921 359.318 GPRESSURE: 3689400 -59.2874 67.6512 233.731 139.708 183.339 -103.403 128.966 -87.4736 324.268 PRESSAVG: 3689400 -29.9458 -39.9787 9.70996 -39.9787 42.414 -1.55917 9.71 -1.5591 -2.70276 GPRESSAVG: 3689400 -28.5499 -42.5585 7.71292 -36.2726 41.3113 -0.481334 11.1942 1.16025 -2.31314 TIMING: 3689400 CPU: 11722.6, 0.00314157/step Wall: 11722.6, 0.00314157/step, 1.14371 hours remaining, 240.535156 MB of memory in use. ENERGY: 3689400 3960.1767 20258.2250 14472.2790 264.0832 -203021.8136 2502.3660 0.0000 0.0000 52079.3310 -109485.3527 299.3006 -161564.6837 -109115.0794 298.9190 123.3438 149.4399 762252.7075 3.2551 3.4827 PRESSURE: 3689600 204.195 2.17627 -36.0862 2.17608 -63.3254 38.1507 -36.0863 38.1513 40.4456 GPRESSURE: 3689600 171.081 -26.0699 -5.12458 -25.4888 23.2347 84.8216 -40.8215 -88.5647 72.9781 PRESSAVG: 3689600 -23.4369 -16.7168 -9.64917 -16.7168 29.5606 -3.82863 -9.64912 -3.8286 -0.59613 GPRESSAVG: 3689600 -23.7674 -15.6607 -8.25356 -18.1907 30.137 -3.35419 -11.024 -6.08709 -1.02177 TIMING: 3689600 CPU: 11723.3, 0.00312614/step Wall: 11723.3, 0.00312614/step, 1.13792 hours remaining, 240.535156 MB of memory in use. ENERGY: 3689600 4007.2636 20425.9628 14474.4158 239.0200 -203526.4435 2807.5910 0.0000 0.0000 51944.8642 -109627.3260 298.5278 -161572.1902 -109273.5124 299.3322 60.4383 89.0980 762717.6571 1.8425 1.7826 PRESSURE: 3689800 -97.0733 -160.605 39.8582 -160.605 -250.997 39.7778 39.8584 39.7789 -131.075 GPRESSURE: 3689800 -83.3783 -159.72 -41.0536 -11.4471 -224.635 -5.20766 70.5726 -9.35992 -88.5299 PRESSAVG: 3689800 -28.6423 -12.4484 12.4192 -12.4483 15.5872 -22.8738 12.4192 -22.8738 21.3539 GPRESSAVG: 3689800 -29.2289 -12.4795 11.2501 -12.3254 15.4657 -22.4318 13.0932 -20.7692 21.6171 TIMING: 3689800 CPU: 11723.9, 0.00311594/step Wall: 11723.9, 0.00311594/step, 1.13403 hours remaining, 240.535156 MB of memory in use. ENERGY: 3689800 3966.2397 20456.2337 14371.6500 236.2381 -203168.1009 2513.0809 0.0000 0.0000 51920.0639 -109704.5945 298.3853 -161624.6584 -109348.1630 298.9543 -159.7153 -132.1810 762321.8308 2.7663 2.6179 PRESSURE: 3690000 -252.901 19.757 -97.8366 19.7578 149.953 -84.1182 -97.8374 -84.1188 76.2823 GPRESSURE: 3690000 -280.857 -11.8471 -71.5677 47.9273 230.696 9.35483 -65.8727 -118.017 106.306 PRESSAVG: 3690000 -33.4101 14.7573 -32.7668 14.7573 12.0909 12.6843 -32.7667 12.6843 -3.80362 GPRESSAVG: 3690000 -34.2769 15.1642 -31.8546 15.6458 14.6599 11.473 -30.7521 10.2188 -5.22054 TIMING: 3690000 CPU: 11724.5, 0.00312572/step Wall: 11724.5, 0.00312572/step, 1.13741 hours remaining, 240.535156 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: 3690000 3945.7400 20495.8556 14414.4542 266.0507 -203344.2140 2396.7246 0.0000 0.0000 51934.5530 -109890.8358 298.4686 -161825.3888 -109528.4228 298.5792 -8.8885 18.7151 760422.2502 -8.3743 -8.2792 PRESSURE: 3690200 -274.436 -29.3719 134.244 -29.3726 -387.988 -67.4472 134.245 -67.4482 -111.46 GPRESSURE: 3690200 -217.165 -1.35307 94.8796 -14.6133 -347.412 -130.631 9.01222 -78.1982 -149.651 PRESSAVG: 3690200 -51.0308 -29.6553 -19.6401 -29.6552 40.2162 -42.6764 -19.6401 -42.6764 3.66567 GPRESSAVG: 3690200 -48.365 -26.8915 -19.065 -30.2677 38.0261 -43.8425 -21.879 -40.3321 3.60765 TIMING: 3690200 CPU: 11725.1, 0.00312192/step Wall: 11725.1, 0.00312192/step, 1.13586 hours remaining, 240.535156 MB of memory in use. ENERGY: 3690200 3988.8611 20440.2092 14392.1410 250.8425 -203321.9122 2432.1019 0.0000 0.0000 52040.9580 -109776.7985 299.0801 -161817.7565 -109421.0019 298.5728 -257.9616 -238.0756 762227.6276 -2.3830 -2.2438 PRESSURE: 3690400 183.411 -166.318 142.022 -166.318 422.35 13.628 142.022 13.6283 117.217 GPRESSURE: 3690400 195.878 -93.6795 149.819 -204.643 504.074 19.2176 209.009 130.082 102.345 PRESSAVG: 3690400 -25.5596 -7.14102 7.37912 -7.14103 -5.42259 -10.4358 7.37913 -10.4358 4.27041 GPRESSAVG: 3690400 -26.8649 -8.98962 5.60622 -7.02165 -4.62413 -9.11755 6.9768 -11.6279 4.43173 TIMING: 3690400 CPU: 11725.8, 0.00310961/step Wall: 11725.8, 0.00310961/step, 1.13121 hours remaining, 240.535156 MB of memory in use. ENERGY: 3690400 3936.9170 20499.6285 14398.8473 247.0577 -204177.7719 3026.5640 0.0000 0.0000 52130.4523 -109938.3051 299.5944 -162068.7574 -109588.3286 298.9389 240.9929 267.4323 760113.5887 -8.9039 -9.0191 PRESSURE: 3690600 -290.264 204.426 -265.138 204.425 -82.5138 -234.855 -265.138 -234.854 -480.767 GPRESSURE: 3690600 -223.132 185.947 -305.561 101.924 -81.3045 -200.207 -206.632 -174.422 -458.096 PRESSAVG: 3690600 19.0668 20.518 -14.2401 20.518 -30.4665 -29.7133 -14.24 -29.7133 15.6401 GPRESSAVG: 3690600 17.0821 18.7561 -13.0005 21.4635 -29.182 -30.6743 -14.006 -26.9982 16.3885 TIMING: 3690600 CPU: 11726.4, 0.00313408/step Wall: 11726.4, 0.00313408/step, 1.13993 hours remaining, 240.535156 MB of memory in use. ENERGY: 3690600 3967.9949 20395.3814 14404.2610 236.1290 -203564.8664 2782.7770 0.0000 0.0000 52048.3334 -109729.9897 299.1225 -161778.3231 -109371.4781 298.7975 -284.5149 -254.1775 762829.7267 1.4135 1.4296 PRESSURE: 3690800 -322.645 -98.6574 13.1422 -98.6574 -171.608 -80.903 13.1419 -80.9036 72.399 GPRESSURE: 3690800 -260.401 -103.678 10.0409 4.9578 -155.887 -124.349 159.159 -151.918 62.5232 PRESSAVG: 3690800 -14.1149 25.0666 -2.11781 25.0665 -28.5604 -61.0484 -2.11784 -61.0485 14.5253 GPRESSAVG: 3690800 -12.7913 25.4029 -2.73935 24.1064 -30.4028 -60.6241 1.072 -62.256 14.5574 TIMING: 3690800 CPU: 11727, 0.00312261/step Wall: 11727, 0.00312261/step, 1.13559 hours remaining, 240.535156 MB of memory in use. ENERGY: 3690800 3995.7006 20429.1504 14440.5136 248.5425 -203506.0432 2386.1386 0.0000 0.0000 52224.4625 -109781.5349 300.1347 -162005.9974 -109427.7337 298.6208 -140.6177 -117.9216 760631.9745 -9.3833 -9.5455 PRESSURE: 3691000 206.557 -207.448 64.585 -207.448 44.5766 330.128 64.5853 330.128 255.621 GPRESSURE: 3691000 115.172 -123.204 59.4026 -199.711 181.053 395.844 1.17496 349.1 284.806 PRESSAVG: 3691000 -0.185865 -21.9592 -33.9701 -21.9592 -50.9329 -10.7876 -33.9701 -10.7877 16.4708 GPRESSAVG: 3691000 1.49514 -22.1966 -33.4384 -20.2422 -51.2804 -9.44182 -34.3677 -11.8918 15.7601 TIMING: 3691000 CPU: 11727.6, 0.00312405/step Wall: 11727.6, 0.00312405/step, 1.13594 hours remaining, 240.535156 MB of memory in use. ENERGY: 3691000 3958.6564 20560.3256 14462.5473 248.3701 -203655.6724 2756.3466 0.0000 0.0000 51890.2738 -109779.1527 298.2141 -161669.4264 -109414.0801 298.8458 168.9182 193.6774 760322.0516 -11.5493 -11.3417 PRESSURE: 3691200 150.958 37.8792 -174.03 37.8795 -0.0268406 102.549 -174.029 102.548 90.9975 GPRESSURE: 3691200 166.701 -109.414 -159.3 103.911 34.2468 58.1589 -120.147 113.501 121.853 PRESSAVG: 3691200 -12.6778 27.8962 -34.5979 27.8962 -40.8892 -7.02629 -34.5979 -7.02629 -11.0463 GPRESSAVG: 3691200 -14.7359 26.9117 -34.0187 28.2423 -39.7783 -8.69114 -36.192 -6.59043 -10.1539 TIMING: 3691200 CPU: 11728.3, 0.00311655/step Wall: 11728.3, 0.00311655/step, 1.13304 hours remaining, 240.535156 MB of memory in use. ENERGY: 3691200 3974.2255 20531.2689 14422.3361 263.1443 -203640.6570 2780.0014 0.0000 0.0000 51938.6809 -109730.9998 298.4923 -161669.6807 -109373.8301 299.1113 80.6428 107.6001 762039.5258 -21.5378 -21.5560 PRESSURE: 3691400 -133.225 117.355 71.4469 117.354 147.523 -150.639 71.4462 -150.639 -136.877 GPRESSURE: 3691400 -125.929 101.333 33.1693 54.3028 225.748 -80.35 32.7771 -227.654 -131.305 PRESSAVG: 3691400 -61.8177 12.0804 -6.66405 12.0803 60.7107 -18.3714 -6.66405 -18.3714 0.269042 GPRESSAVG: 3691400 -61.07 12.8714 -7.92285 11.3587 61.1158 -17.7334 -6.25569 -19.1549 -0.411188 TIMING: 3691400 CPU: 11728.9, 0.00314374/step Wall: 11728.9, 0.00314374/step, 1.14275 hours remaining, 240.535156 MB of memory in use. ENERGY: 3691400 4029.1203 20550.1623 14395.6966 231.9233 -203699.6709 2809.5809 0.0000 0.0000 52049.1726 -109634.0149 299.1273 -161683.1875 -109270.3957 299.4073 -40.8597 -10.4954 761035.6034 -0.2793 -0.1218 PRESSURE: 3691600 -6.6049 -42.6061 -43.3731 -42.6052 -380.386 50.51 -43.3731 50.5096 -307.795 GPRESSURE: 3691600 16.3121 -19.5747 -3.07709 57.3646 -331.236 158.984 -62.4621 31.694 -283.004 PRESSAVG: 3691600 18.1903 -71.294 2.95127 -71.2939 -18.9793 28.2986 2.95131 28.2986 -8.72243 GPRESSAVG: 3691600 17.942 -69.8102 5.24959 -72.1129 -19.3652 27.7372 3.49225 29.4958 -9.14357 TIMING: 3691600 CPU: 11729.5, 0.00315394/step Wall: 11729.5, 0.00315394/step, 1.14628 hours remaining, 240.535156 MB of memory in use. ENERGY: 3691600 3979.0809 20281.6403 14512.5881 260.7542 -203259.3974 2309.1614 0.0000 0.0000 52312.0564 -109604.1162 300.6381 -161916.1725 -109236.5666 299.4184 -231.5955 -199.3094 759592.3702 -3.1705 -3.5223 PRESSURE: 3691800 -202.369 60.3501 -147.386 60.3493 -281.379 -66.7708 -147.387 -66.771 256.312 GPRESSURE: 3691800 -266.943 195.524 -83.6458 25.3915 -149.023 -134.903 -23.5317 -16.5939 277.874 PRESSAVG: 3691800 48.9057 -47.4204 -38.7086 -47.4205 -35.4787 13.6283 -38.7086 13.6283 -26.6361 GPRESSAVG: 3691800 47.8965 -46.2191 -39.3923 -47.2472 -34.3388 12.1641 -40.9309 12.9435 -26.3626 TIMING: 3691800 CPU: 11730.1, 0.00311838/step Wall: 11730.1, 0.00311838/step, 1.13318 hours remaining, 240.535156 MB of memory in use. ENERGY: 3691800 4004.9314 20418.4647 14442.9825 253.3650 -203105.2702 2314.7314 0.0000 0.0000 52215.0847 -109455.7104 300.0808 -161670.7952 -109090.8009 299.7840 -75.8120 -46.0306 761649.3688 -4.4030 -4.2683 PRESSURE: 3692000 -65.6347 -321.844 -8.2978 -321.844 73.6284 31.4887 -8.29717 31.4881 5.92252 GPRESSURE: 3692000 19.1735 -237.047 -57.5146 -235.158 44.7176 -18.9551 -103.283 147.096 28.0976 PRESSAVG: 3692000 87.6052 -41.808 4.70775 -41.808 -45.2362 -33.4185 4.70775 -33.4186 10.5453 GPRESSAVG: 3692000 89.1242 -42.6184 2.17134 -41.0099 -47.9609 -31.2283 7.11756 -31.7949 11.3327 TIMING: 3692000 CPU: 11730.8, 0.00309865/step Wall: 11730.8, 0.00309865/step, 1.12584 hours remaining, 240.535156 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: 3692000 3954.4386 20602.3028 14400.0425 249.4676 -203023.7444 2523.5891 0.0000 0.0000 51776.8794 -109517.0243 297.5624 -161293.9037 -109144.7894 299.7623 4.6387 30.6629 760639.3112 17.6381 17.4987 PRESSURE: 3692200 -118.875 -222.154 48.509 -222.154 -42.6716 -66.5077 48.5081 -66.5068 143.291 GPRESSURE: 3692200 -10.6231 -235.261 -7.55103 -150.394 7.06903 12.5108 79.3827 -22.1536 66.2359 PRESSAVG: 3692200 41.8817 12.8412 -5.20482 12.8411 -25.0773 -19.1358 -5.20479 -19.1358 -13.6066 GPRESSAVG: 3692200 41.8868 12.6462 -4.12985 13.8154 -24.1372 -19.501 -6.532 -18.0908 -14.4661 TIMING: 3692200 CPU: 11731.4, 0.00311137/step Wall: 11731.4, 0.00311137/step, 1.13029 hours remaining, 240.535156 MB of memory in use. ENERGY: 3692200 3989.5736 20454.0865 14516.2026 244.4301 -202953.2818 2315.4729 0.0000 0.0000 51951.6023 -109481.9137 298.5666 -161433.5160 -109116.4610 299.6065 -6.0852 20.8940 761064.8292 1.0659 1.0945 LDB: ============= START OF LOAD BALANCING ============== 11743.8 LDB: ============== END OF LOAD BALANCING =============== 11743.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11743.8 LDB: ============= START OF LOAD BALANCING ============== 11744.1 LDB: Largest compute 7032 load 0.033983 is 17.4% of average load 0.195457 LDB: Average compute 0.004377 is 2.2% of average load 0.195457 LDB: TIME 11744.1 LOAD: AVG 0.195457 MAX 0.217047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.562 MB LDB: TIME 11744.1 LOAD: AVG 0.195457 MAX 0.217047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.602 MB LDB: TIME 11744.1 LOAD: AVG 0.195457 MAX 0.217047 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.602 MB LDB: ============== END OF LOAD BALANCING =============== 11744.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11744.2 PRESSURE: 3692400 74.0776 251.173 -79.7274 251.175 122.525 138.17 -79.7278 138.17 44.5726 GPRESSURE: 3692400 85.2314 126.899 6.9463 252.134 86.6669 123.962 -79.2018 215.599 127.952 PRESSAVG: 3692400 -18.533 -12.629 9.49513 -12.629 2.7825 20.3109 9.49513 20.3109 0.906639 GPRESSAVG: 3692400 -19.1933 -13.5569 11.1861 -16.9204 2.21042 19.7231 7.92669 16.7485 1.73248 TIMING: 3692400 CPU: 11732, 0.00319906/step Wall: 11732, 0.00319906/step, 1.16197 hours remaining, 240.593750 MB of memory in use. ENERGY: 3692400 3952.5103 20725.8645 14442.2047 229.5082 -203350.1606 2527.5665 0.0000 0.0000 51962.1122 -109510.3941 298.6270 -161472.5063 -109164.0647 299.4236 80.3918 99.9502 761830.2948 -4.9480 -5.0835 PRESSURE: 3692600 -3.52039 79.3776 131.701 79.3767 -143.611 159.34 131.701 159.34 -53.8717 GPRESSURE: 3692600 30.4474 179.704 174.593 89.7023 -124.869 96.9391 105.956 99.91 -9.29199 PRESSAVG: 3692600 27.4493 7.98653 0.77711 7.98647 -15.0556 -3.73015 0.777225 -3.73012 -10.9284 GPRESSAVG: 3692600 27.1383 9.64132 -0.393068 10.8757 -15.1949 -2.86679 2.01634 -0.968152 -10.9509 TIMING: 3692600 CPU: 11732.6, 0.00312628/step Wall: 11732.6, 0.00312628/step, 1.13536 hours remaining, 240.796875 MB of memory in use. ENERGY: 3692600 4013.9685 20413.7361 14437.9252 268.5588 -203390.9019 2474.6601 0.0000 0.0000 51977.0377 -109805.0154 298.7128 -161782.0532 -109435.0641 299.0360 -67.0009 -34.5711 761979.2826 0.4884 0.3308 PRESSURE: 3692800 104.743 -88.0756 229.159 -88.0752 -372.27 -27.9479 229.158 -27.9474 27.6241 GPRESSURE: 3692800 10.1005 -132.855 224.589 -129.672 -162.727 -67.5563 161.143 29.273 1.21108 PRESSAVG: 3692800 68.2019 -29.8869 -8.71458 -29.8869 -42.1888 -10.2787 -8.71458 -10.2787 13.1701 GPRESSAVG: 3692800 67.0511 -32.48 -8.95294 -31.5415 -40.4878 -8.69625 -7.90432 -13.2627 12.9758 TIMING: 3692800 CPU: 11733.3, 0.00311653/step Wall: 11733.3, 0.00311653/step, 1.13165 hours remaining, 240.796875 MB of memory in use. ENERGY: 3692800 3920.2223 20430.0154 14433.1431 265.2782 -203116.1508 2322.0231 0.0000 0.0000 51936.1169 -109809.3519 298.4776 -161745.4688 -109454.6721 298.6373 -79.9678 -50.4717 760294.8497 13.0611 13.1797 PRESSURE: 3693000 126.593 -127.054 -175.057 -127.055 -205.647 140.569 -175.058 140.57 -46.2799 GPRESSURE: 3693000 169.156 -196.304 -151.835 -0.569077 -155.058 200.707 -172.565 299.378 -61.1682 PRESSAVG: 3693000 59.409 -19.1949 -0.282408 -19.195 -43.543 -31.7142 -0.282405 -31.7142 -16.2772 GPRESSAVG: 3693000 60.2982 -16.7321 0.0576188 -20.7177 -43.3975 -33.1225 -0.161136 -29.7941 -16.4273 TIMING: 3693000 CPU: 11733.9, 0.00309671/step Wall: 11733.9, 0.00309671/step, 1.12428 hours remaining, 240.796875 MB of memory in use. ENERGY: 3693000 3942.1048 20539.0357 14507.4538 242.9029 -203609.8845 2677.0466 0.0000 0.0000 51851.9808 -109849.3600 297.9940 -161701.3408 -109508.2979 299.1529 -41.7780 -15.6898 760226.8021 -0.1371 0.1578 PRESSURE: 3693200 -469.207 52.6997 169.704 52.6994 -43.9457 170.439 169.704 170.439 -313.425 GPRESSURE: 3693200 -283.383 -56.5849 146.297 101.085 -79.6731 172.998 225.67 57.1081 -372.027 PRESSAVG: 3693200 71.2522 -0.821676 39.1434 -0.821678 -26.1731 31.4778 39.1434 31.4778 -0.593852 GPRESSAVG: 3693200 71.717 -2.08933 37.5949 1.13323 -25.8763 31.2896 40.1041 29.527 -1.09412 TIMING: 3693200 CPU: 11734.5, 0.00312283/step Wall: 11734.5, 0.00312283/step, 1.13359 hours remaining, 240.796875 MB of memory in use. ENERGY: 3693200 4041.9045 20493.5448 14450.7050 273.4272 -203165.4436 2353.4338 0.0000 0.0000 51893.3297 -109659.0987 298.2317 -161552.4284 -109298.2204 298.5529 -275.5260 -245.0277 760982.3764 14.8284 14.9155 PRESSURE: 3693400 -267.422 -212.803 -190.53 -212.804 213.079 55.8885 -190.53 55.8875 -503.6 GPRESSURE: 3693400 -267.535 -167.711 -170.298 -70.2873 172.335 121.973 -240.047 22.8614 -364.52 PRESSAVG: 3693400 39.319 4.76898 29.3828 4.769 14.4741 -52.3558 29.3829 -52.3559 -11.8301 GPRESSAVG: 3693400 38.9029 5.92167 29.8718 6.61761 13.3676 -51.0131 28.7858 -50.0456 -10.1542 TIMING: 3693400 CPU: 11735.1, 0.0031206/step Wall: 11735.1, 0.0031206/step, 1.1326 hours remaining, 240.796875 MB of memory in use. ENERGY: 3693400 3977.3691 20425.6234 14444.7866 269.9543 -203408.4540 2590.7693 0.0000 0.0000 52032.4844 -109667.4669 299.0314 -161699.9514 -109309.1342 298.9612 -185.9810 -153.2403 761832.0203 13.9877 14.0388 PRESSURE: 3693600 -132.765 80.4871 105.168 80.4862 30.5924 188.442 105.168 188.442 222.14 GPRESSURE: 3693600 -117.684 109.493 148.256 5.20179 74.1955 125.669 90.2981 132.678 261.478 PRESSAVG: 3693600 -7.81328 1.18054 -13.4712 1.1805 -33.8714 10.9795 -13.4712 10.9795 4.836 GPRESSAVG: 3693600 -8.20845 1.02085 -11.7601 -2.37518 -34.1973 9.06277 -14.7339 12.1579 5.60897 TIMING: 3693600 CPU: 11735.8, 0.00313483/step Wall: 11735.8, 0.00313483/step, 1.1376 hours remaining, 240.796875 MB of memory in use. ENERGY: 3693600 3942.4821 20385.1144 14485.8727 257.8930 -203155.5807 2280.3542 0.0000 0.0000 52038.2403 -109765.6239 299.0645 -161803.8642 -109407.6359 298.8761 39.9891 72.6632 760613.7499 -12.2829 -12.2656 PRESSURE: 3693800 -565.183 -65.1812 -41.6734 -65.1823 -361.962 -135.609 -41.6742 -135.609 -438.921 GPRESSURE: 3693800 -438.509 -157.839 -61.4593 -113.785 -373.705 -138.893 -24.3864 -215.508 -468.081 PRESSAVG: 3693800 -8.20808 -32.5741 46.7612 -32.5741 13.2539 4.79995 46.7612 4.80005 13.7642 GPRESSAVG: 3693800 -7.97265 -33.3219 47.5257 -30.7306 13.5678 5.62447 47.1647 1.90948 13.3459 TIMING: 3693800 CPU: 11736.4, 0.00312943/step Wall: 11736.4, 0.00312943/step, 1.13546 hours remaining, 240.796875 MB of memory in use. ENERGY: 3693800 3956.4236 20310.1205 14428.5680 256.7489 -202996.4203 2106.7349 0.0000 0.0000 52081.6250 -109856.1995 299.3138 -161937.8245 -109482.4111 298.7054 -455.3555 -426.7649 760627.5954 6.2700 6.3137 PRESSURE: 3694000 -207.068 105.859 103.738 105.859 -168.27 84.7636 103.738 84.7636 164.121 GPRESSURE: 3694000 -243.073 -25.707 62.5087 22.4559 -158.902 166.503 215.782 61.6143 272.008 PRESSAVG: 3694000 10.5804 -7.5568 53.6634 -7.55682 31.3602 8.85015 53.6634 8.85022 -8.91767 GPRESSAVG: 3694000 10.7393 -7.28179 50.7366 -9.33437 31.3792 8.24472 55.3106 9.72907 -9.35984 TIMING: 3694000 CPU: 11737, 0.00311895/step Wall: 11737, 0.00311895/step, 1.13149 hours remaining, 240.796875 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: 3694000 3977.3419 20403.7072 14444.5426 239.2295 -203223.3640 2377.9203 0.0000 0.0000 51928.2756 -109852.3470 298.4325 -161780.6225 -109489.2416 298.7550 -70.4058 -43.3226 759655.7578 11.0077 10.9196 PRESSURE: 3694200 -346.415 -104.193 -26.024 -104.191 -339.788 85.2132 -26.0235 85.2122 162.793 GPRESSURE: 3694200 -270.715 -114.453 26.258 17.1665 -302.564 110.409 -90.0738 2.72963 131.2 PRESSAVG: 3694200 -22.8934 -12.2171 0.086187 -12.2171 42.8784 18.9923 0.0861131 18.9922 10.3141 GPRESSAVG: 3694200 -22.1783 -12.9417 1.20265 -10.3722 42.3751 20.7252 -2.36369 20.0379 10.0842 TIMING: 3694200 CPU: 11737.6, 0.00311928/step Wall: 11737.6, 0.00311928/step, 1.13143 hours remaining, 240.796875 MB of memory in use. ENERGY: 3694200 4013.7662 20596.7798 14521.5637 248.2961 -203236.0784 2306.6806 0.0000 0.0000 51799.8009 -109749.1911 297.6942 -161548.9920 -109391.9375 298.8776 -174.4699 -147.3595 761091.8660 10.0997 10.0937 PRESSURE: 3694400 -190.58 -94.6721 -103.834 -94.6721 359.35 24.745 -103.835 24.7453 70.8075 GPRESSURE: 3694400 -163.104 -121.95 -119.835 -124.083 355.711 -8.67025 -77.1841 -1.24018 138.047 PRESSAVG: 3694400 -3.30409 40.5224 53.3657 40.5224 25.9957 5.5216 53.3657 5.52162 -3.77412 GPRESSAVG: 3694400 -4.35634 40.1245 54.0806 38.9429 27.2493 3.43595 53.3965 4.33398 -3.65311 TIMING: 3694400 CPU: 11738.3, 0.00311424/step Wall: 11738.3, 0.00311424/step, 1.12943 hours remaining, 240.796875 MB of memory in use. ENERGY: 3694400 3950.2085 20477.3946 14363.5405 243.0337 -203887.9076 2505.7384 0.0000 0.0000 52348.7151 -109999.2768 300.8488 -162347.9919 -109630.5335 298.5238 79.8590 110.2179 760939.2339 6.3058 6.4133 PRESSURE: 3694600 61.1151 32.493 -35.1471 32.4926 -108.055 -116.991 -35.1483 -116.991 -334.781 GPRESSURE: 3694600 70.3768 84.1912 -45.0684 59.9837 -33.607 -133.138 91.7646 -86.2655 -311.845 PRESSAVG: 3694600 -75.5602 12.7465 18.3893 12.7465 80.3153 38.9892 18.3893 38.9892 -4.13859 GPRESSAVG: 3694600 -74.7728 13.1087 19.0314 14.536 79.8158 39.1162 19.1208 38.3608 -4.11418 TIMING: 3694600 CPU: 11738.9, 0.00311634/step Wall: 11738.9, 0.00311634/step, 1.13002 hours remaining, 240.796875 MB of memory in use. ENERGY: 3694600 3932.9949 20447.2752 14401.1536 239.7070 -203605.1052 2588.6278 0.0000 0.0000 51901.4596 -110093.8872 298.2784 -161995.3468 -109730.6298 297.9713 -127.2405 -91.6917 760886.5609 0.2055 0.3096 PRESSURE: 3694800 -41.386 22.9843 113.443 22.985 -182.636 -0.106297 113.442 -0.106055 -150.598 GPRESSURE: 3694800 -26.8561 100.106 128.56 2.67658 -174.398 -4.08567 168.876 89.2863 -87.4022 PRESSAVG: 3694800 -6.62828 -31.846 35.272 -31.846 4.50528 36.7059 35.272 36.7059 -4.85694 GPRESSAVG: 3694800 -8.12268 -32.3176 33.5657 -34.9427 6.34876 37.0267 36.9316 38.8906 -5.13273 TIMING: 3694800 CPU: 11739.5, 0.00313879/step Wall: 11739.5, 0.00313879/step, 1.13799 hours remaining, 240.796875 MB of memory in use. ENERGY: 3694800 4047.9608 20443.3070 14441.4121 250.7511 -203898.1221 2778.3825 0.0000 0.0000 51810.5664 -110125.7422 297.7560 -161936.3086 -109760.7144 297.6730 -124.8736 -96.2187 761344.4456 -2.3266 -2.3022 PRESSURE: 3695000 -95.4216 -103.513 33.0789 -103.512 -80.8927 190.837 33.0788 190.838 -114.381 GPRESSURE: 3695000 -41.5765 -24.2369 35.105 -63.6544 -92.9281 183.592 69.1354 160.855 -72.2368 PRESSAVG: 3695000 -30.3665 25.9969 61.0017 25.9969 48.7635 29.0692 61.0017 29.0692 17.9475 GPRESSAVG: 3695000 -28.4381 26.64 61.6119 28.8568 46.4627 30.3161 59.1098 26.6802 18.6045 TIMING: 3695000 CPU: 11740.1, 0.00312916/step Wall: 11740.1, 0.00312916/step, 1.13432 hours remaining, 240.796875 MB of memory in use. ENERGY: 3695000 4072.6985 20504.3592 14498.1238 258.9994 -203762.1016 2566.6227 0.0000 0.0000 51722.7076 -110138.5904 297.2511 -161861.2980 -109779.3683 297.2076 -96.8985 -68.9138 761549.3962 12.1148 12.2097 PRESSURE: 3695200 331.097 74.6586 -116.218 74.6585 -218.609 300.405 -116.218 300.404 -88.1909 GPRESSURE: 3695200 233.397 41.3599 -64.7932 73.0961 -99.3439 324.813 -158.874 308.762 -39.8253 PRESSAVG: 3695200 -9.97532 -6.53694 -43.172 -6.53691 36.3426 56.2052 -43.1719 56.2053 -6.83008 GPRESSAVG: 3695200 -10.2372 -6.85378 -43.3491 -8.22171 36.2321 55.8953 -43.0849 56.8254 -6.15178 TIMING: 3695200 CPU: 11740.8, 0.0031265/step Wall: 11740.8, 0.0031265/step, 1.13318 hours remaining, 240.796875 MB of memory in use. ENERGY: 3695200 3911.3298 20511.3585 14463.7040 251.6890 -203764.2919 2827.0447 0.0000 0.0000 51665.6965 -110133.4694 296.9235 -161799.1660 -109770.3023 297.5954 8.0988 31.4092 762321.9263 6.5124 6.6144 PRESSURE: 3695400 129.683 10.7104 -24.0765 10.7112 -126.56 -93.4735 -24.076 -93.4734 -449.267 GPRESSURE: 3695400 71.7706 -54.2578 -42.1392 85.7601 -63.999 -61.4395 -13.449 -63.6214 -372.709 PRESSAVG: 3695400 11.5453 4.17109 -0.0355442 4.1711 -38.5096 58.0509 -0.0355944 58.0509 6.21759 GPRESSAVG: 3695400 10.7121 2.43951 -0.27063 7.19904 -37.2794 59.1676 -1.0882 57.3542 5.12264 TIMING: 3695400 CPU: 11741.4, 0.00312445/step Wall: 11741.4, 0.00312445/step, 1.13227 hours remaining, 240.796875 MB of memory in use. ENERGY: 3695400 3968.4488 20591.0718 14463.0436 249.6651 -203663.3447 2554.8309 0.0000 0.0000 51731.5100 -110104.7745 297.3017 -161836.2845 -109741.6559 297.9554 -148.7146 -121.6458 761883.7838 -6.9156 -7.1482 PRESSURE: 3695600 176.929 -49.2752 -447.571 -49.275 147.324 20.8039 -447.571 20.804 244.174 GPRESSURE: 3695600 281.168 19.4289 -462.261 -32.1894 208.684 0.952187 -302.934 91.3098 164.263 PRESSAVG: 3695600 0.270421 -39.0975 2.93538 -39.0976 -8.06685 -5.96201 2.93539 -5.96209 -14.9143 GPRESSAVG: 3695600 1.53872 -38.3323 2.01968 -40.8206 -9.09918 -8.34933 4.56591 -3.08463 -14.9498 TIMING: 3695600 CPU: 11742, 0.00311934/step Wall: 11742, 0.00311934/step, 1.13024 hours remaining, 240.796875 MB of memory in use. ENERGY: 3695600 3970.3658 20433.6415 14422.9333 241.1403 -203786.4137 2634.4779 0.0000 0.0000 52097.7969 -109986.0580 299.4068 -162083.8548 -109619.9426 298.1474 189.4756 218.0384 760438.4153 -7.5703 -7.5034 PRESSURE: 3695800 -77.0669 -195.393 176.407 -195.392 -69.7474 -105.209 176.406 -105.209 76.2904 GPRESSURE: 3695800 34.0664 -102.913 133.569 -202.132 -121.898 -18.0514 16.2702 -193.414 99.4921 PRESSAVG: 3695800 9.87365 -18.2741 15.3816 -18.2742 7.87231 28.5325 15.3816 28.5326 2.55905 GPRESSAVG: 3695800 9.79429 -18.7649 15.9766 -16.9203 8.48005 30.8403 16.2463 24.7904 2.27406 TIMING: 3695800 CPU: 11742.6, 0.00314521/step Wall: 11742.6, 0.00314521/step, 1.13944 hours remaining, 240.796875 MB of memory in use. ENERGY: 3695800 4047.7169 20420.5514 14434.7076 239.5046 -203621.6898 2732.5541 0.0000 0.0000 51872.7454 -109873.9097 298.1134 -161746.6551 -109511.7124 298.1885 -23.5080 3.8868 761869.6664 6.7683 6.8495 PRESSURE: 3696000 -312.183 -45.5801 60.5737 -45.5808 182.573 201.041 60.5731 201.042 -365.064 GPRESSURE: 3696000 -241.086 10.583 83.5174 -228.629 192.177 289.605 137.125 277.149 -344.961 PRESSAVG: 3696000 -13.2492 -0.296062 40.2527 -0.296111 -3.27224 1.07548 40.2528 1.07553 13.9413 GPRESSAVG: 3696000 -13.0976 1.07771 40.6741 -3.5482 -4.43891 -0.125093 39.0066 2.0973 15.539 TIMING: 3696000 CPU: 11743.3, 0.00313267/step Wall: 11743.3, 0.00313267/step, 1.13472 hours remaining, 240.796875 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: 3696000 3941.6298 20410.4651 14384.4296 258.7635 -203328.8588 2475.3268 0.0000 0.0000 52158.4780 -109699.7660 299.7555 -161858.2440 -109336.5006 298.7300 -164.8913 -131.2898 762934.4596 -0.8601 -0.6658 PRESSURE: 3696200 26.745 32.7293 17.77 32.7298 -66.093 -88.7088 17.7703 -88.7099 -440.428 GPRESSURE: 3696200 12.0198 112.307 74.878 44.1846 29.6749 -114.651 -183.672 -88.3195 -434.311 PRESSAVG: 3696200 -49.8903 -22.3268 -4.98492 -22.3268 57.5003 37.6677 -4.98489 37.6677 -18.4825 GPRESSAVG: 3696200 -49.5963 -24.0415 -4.97312 -19.1019 58.7924 38.0503 -4.78311 38.9308 -19.9893 TIMING: 3696200 CPU: 11743.9, 0.00312437/step Wall: 11743.9, 0.00312437/step, 1.13154 hours remaining, 240.796875 MB of memory in use. ENERGY: 3696200 3981.9397 20323.6797 14480.0350 232.6047 -203258.8727 2602.8318 0.0000 0.0000 51872.9971 -109764.7847 298.1148 -161637.7818 -109391.7067 298.3920 -159.9252 -130.8720 763338.8794 -3.6242 -3.5977 LDB: ============= START OF LOAD BALANCING ============== 11756.3 LDB: ============== END OF LOAD BALANCING =============== 11756.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11756.3 LDB: ============= START OF LOAD BALANCING ============== 11756.7 LDB: Largest compute 7074 load 0.032928 is 16.9% of average load 0.195294 LDB: Average compute 0.004373 is 2.2% of average load 0.195294 LDB: TIME 11756.7 LOAD: AVG 0.195294 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.879 MB LDB: TIME 11756.7 LOAD: AVG 0.195294 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.918 MB LDB: TIME 11756.7 LOAD: AVG 0.195294 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.918 MB LDB: ============== END OF LOAD BALANCING =============== 11756.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11756.7 PRESSURE: 3696400 -334.014 61.7507 87.1307 61.7496 88.2653 -303.462 87.1315 -303.462 99.6125 GPRESSURE: 3696400 -363.156 133.682 159.994 79.6633 155.172 -426.772 109.659 -150.26 169.533 PRESSAVG: 3696400 -22.5664 -25.5824 38.6935 -25.5823 12.3692 83.384 38.6935 83.384 -2.44864 GPRESSAVG: 3696400 -23.5514 -24.5674 37.2581 -24.0117 10.2109 82.9131 39.013 82.4576 0.383435 TIMING: 3696400 CPU: 11744.5, 0.0031996/step Wall: 11744.5, 0.0031996/step, 1.15861 hours remaining, 240.593750 MB of memory in use. ENERGY: 3696400 3974.7036 20390.5002 14463.2248 239.4146 -202860.8095 2362.6479 0.0000 0.0000 51982.0864 -109448.2321 298.7418 -161430.3185 -109091.1323 298.7255 -48.7122 -12.8174 761287.3300 -4.2153 -4.3190 PRESSURE: 3696600 -309.769 -93.1315 303.95 -93.1309 -31.675 -151.57 303.951 -151.569 214.601 GPRESSURE: 3696600 -145.589 -144.206 184.745 -155.628 -13.4549 -93.0051 315.508 -157.578 113.221 PRESSAVG: 3696600 7.73648 -30.0106 57.3598 -30.0106 -55.4663 -16.4104 57.3598 -16.4104 -1.34076 GPRESSAVG: 3696600 7.39367 -29.0757 60.4534 -34.3339 -53.1972 -15.1265 54.3541 -14.8209 -3.31837 TIMING: 3696600 CPU: 11745.2, 0.0031249/step Wall: 11745.2, 0.0031249/step, 1.13139 hours remaining, 240.664062 MB of memory in use. ENERGY: 3696600 3990.2541 20388.9815 14406.5815 250.3216 -202730.7801 2402.7639 0.0000 0.0000 52018.0300 -109273.8476 298.9483 -161291.8776 -108908.8012 299.1245 -42.2812 -15.2742 761959.6536 -16.3569 -16.3740 PRESSURE: 3696800 315.687 42.877 -55.7717 42.8764 40.8706 -163.285 -55.771 -163.285 39.7229 GPRESSURE: 3696800 365.638 27.7971 -44.7528 42.2645 62.3558 -152.434 19.6301 -109.42 48.7966 PRESSAVG: 3696800 21.3393 18.161 -1.30604 18.161 11.5381 -20.6925 -1.3061 -20.6925 3.22094 GPRESSAVG: 3696800 23.6981 16.1755 -4.33705 21.3026 9.53808 -21.9774 1.7943 -22.0502 2.68827 TIMING: 3696800 CPU: 11745.8, 0.00312804/step Wall: 11745.8, 0.00312804/step, 1.13235 hours remaining, 240.664062 MB of memory in use. ENERGY: 3696800 4036.0735 20580.0225 14472.1083 231.0713 -203345.1322 2729.4260 0.0000 0.0000 51990.4499 -109305.9807 298.7898 -161296.4306 -108960.4375 299.0363 132.0936 158.9301 759374.8714 12.0328 11.9748 PRESSURE: 3697000 -159.649 118.044 -182.497 118.044 115.945 117.376 -182.497 117.376 80.7662 GPRESSURE: 3697000 -97.3029 8.54837 -221.241 103.06 164.271 155.951 -181.235 209.5 49.2687 PRESSAVG: 3697000 26.4706 51.8929 -10.5573 51.8929 -19.994 43.1903 -10.5573 43.1904 -0.0353364 GPRESSAVG: 3697000 24.3359 52.5165 -9.9919 49.1228 -18.4083 44.943 -13.0037 42.4917 0.624645 TIMING: 3697000 CPU: 11746.4, 0.00312126/step Wall: 11746.4, 0.00312126/step, 1.12972 hours remaining, 240.664062 MB of memory in use. ENERGY: 3697000 4054.1090 20540.2924 14525.8437 247.4527 -202625.0630 2171.3629 0.0000 0.0000 51731.5963 -109354.4060 297.3022 -161086.0023 -109001.7965 299.2950 12.3542 38.7457 762112.9547 2.1471 2.1841 PRESSURE: 3697200 72.2905 40.4647 -168.614 40.4635 -12.5374 120.362 -168.615 120.362 111.924 GPRESSURE: 3697200 136.052 49.8142 -148.359 97.2487 -23.8651 75.774 -41.1442 250.161 133.12 PRESSAVG: 3697200 68.6275 9.86266 -40.2097 9.86264 -50.7888 31.5995 -40.2098 31.5994 -21.1424 GPRESSAVG: 3697200 68.6875 11.1528 -41.0108 11.1766 -49.77 28.3655 -39.4268 33.2956 -21.8056 TIMING: 3697200 CPU: 11747, 0.0031123/step Wall: 11747, 0.0031123/step, 1.12631 hours remaining, 240.664062 MB of memory in use. ENERGY: 3697200 4045.9517 20520.4549 14359.2839 233.2698 -202940.0769 2111.5382 0.0000 0.0000 52434.7410 -109234.8374 301.3432 -161669.5784 -108874.9042 298.9675 57.2255 81.7689 759841.2125 -1.1012 -0.9627 PRESSURE: 3697400 38.1002 23.7023 -78.1142 23.702 142.199 -180.944 -78.1141 -180.944 -215.209 GPRESSURE: 3697400 27.5199 112.554 -94.8538 -1.6085 130.645 -239.29 -28.6444 -101.53 -115.943 PRESSAVG: 3697400 43.2686 -18.5471 17.946 -18.5471 -46.501 9.10009 17.9461 9.10008 15.9691 GPRESSAVG: 3697400 43.7071 -19.4881 19.7935 -18.4772 -47.6708 12.7094 19.4257 8.71527 17.0172 TIMING: 3697400 CPU: 11747.6, 0.00311744/step Wall: 11747.6, 0.00311744/step, 1.128 hours remaining, 240.664062 MB of memory in use. ENERGY: 3697400 3957.0512 20632.7789 14462.4670 269.4294 -203017.5950 2390.8894 0.0000 0.0000 52082.5110 -109222.4682 299.3189 -161304.9791 -108865.7717 299.8046 -11.6366 14.0738 759704.9384 4.2456 4.3512 PRESSURE: 3697600 170.192 5.25591 148.729 5.25681 44.7301 0.963079 148.729 0.963108 106.418 GPRESSURE: 3697600 128.616 208.122 117.776 -123.464 134.523 -54.4774 8.65078 -138.377 147.314 PRESSAVG: 3697600 -46.821 -16.5537 16.7441 -16.5537 20.009 -35.1347 16.7441 -35.1346 -21.1204 GPRESSAVG: 3697600 -47.1804 -14.3716 15.8617 -16.3977 20.5797 -35.6898 16.5421 -35.51 -21.3879 TIMING: 3697600 CPU: 11748.3, 0.00312713/step Wall: 11748.3, 0.00312713/step, 1.13133 hours remaining, 240.664062 MB of memory in use. ENERGY: 3697600 3962.2700 20502.7044 14455.4936 258.0892 -202827.5959 2385.2735 0.0000 0.0000 52106.3486 -109157.4165 299.4559 -161263.7652 -108796.1522 299.6068 107.1136 136.8178 760250.6750 -15.9775 -15.9962 PRESSURE: 3697800 -301.035 -56.4245 -98.8936 -56.4247 -26.2674 282.749 -98.8937 282.748 -59.1257 GPRESSURE: 3697800 -296.136 -48.3713 -6.60276 -87.8055 10.083 267.387 -97.9304 254.33 -19.0601 PRESSAVG: 3697800 -29.5152 -19.947 -33.649 -19.9469 14.6917 -47.6703 -33.649 -47.6703 2.39688 GPRESSAVG: 3697800 -30.3243 -24.2459 -34.3187 -18.1054 15.1546 -48.5278 -33.0707 -47.1114 2.74517 TIMING: 3697800 CPU: 11748.9, 0.00314273/step Wall: 11748.9, 0.00314273/step, 1.13679 hours remaining, 240.664062 MB of memory in use. ENERGY: 3697800 3990.4258 20504.1247 14533.2273 233.2331 -203412.9333 2646.1621 0.0000 0.0000 52248.5820 -109257.1785 300.2733 -161505.7604 -108900.2502 299.6498 -128.8092 -101.7044 760896.1878 -4.1422 -4.1415 PRESSURE: 3698000 257.128 104.444 -89.7797 104.444 188.559 45.9191 -89.7801 45.9193 -71.7141 GPRESSURE: 3698000 174.853 144.124 -119.265 133.121 257.162 27.9817 -46.5993 -43.4803 14.7177 PRESSAVG: 3698000 -17.1974 -38.1403 22.0074 -38.1403 -17.7626 13.4991 22.0074 13.4991 -2.94919 GPRESSAVG: 3698000 -15.7933 -34.7521 22.2452 -39.5743 -18.5717 11.9332 18.9785 12.6958 -4.09776 TIMING: 3698000 CPU: 11749.5, 0.00314742/step Wall: 11749.5, 0.00314742/step, 1.13832 hours remaining, 240.664062 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: 3698000 3900.4007 20458.4259 14459.5632 232.5870 -203418.9752 2603.2393 0.0000 0.0000 52191.2975 -109573.4617 299.9441 -161764.7592 -109201.9101 299.6834 124.6577 148.9109 760727.0500 -12.6364 -12.8209 PRESSURE: 3698200 68.2175 186.419 95.7086 186.42 30.0048 -42.227 95.7088 -42.2263 230.257 GPRESSURE: 3698200 146.946 244.194 184.023 97.8624 58.6787 31.3145 79.2866 -107.114 207.564 PRESSAVG: 3698200 -24.2411 -40.5168 45.6261 -40.5167 16.4866 15.5763 45.6261 15.5763 6.23124 GPRESSAVG: 3698200 -24.5923 -41.2085 46.0218 -41.2558 16.942 16.9549 47.0135 14.2436 5.8908 TIMING: 3698200 CPU: 11750.2, 0.00315233/step Wall: 11750.2, 0.00315233/step, 1.13992 hours remaining, 240.664062 MB of memory in use. ENERGY: 3698200 3982.2378 20463.2112 14419.3510 243.6345 -203400.7548 2567.3594 0.0000 0.0000 52199.7993 -109525.1617 299.9930 -161724.9610 -109159.3632 298.6585 109.4932 137.7294 761575.4499 -0.5077 -0.5865 PRESSURE: 3698400 3.67146 -19.7369 -29.3335 -19.7363 -210.99 97.6813 -29.3343 97.6816 -217.571 GPRESSURE: 3698400 27.5607 32.4302 -26.9146 87.7163 -127.862 153.788 -67.8048 55.1705 -229.279 PRESSAVG: 3698400 45.0975 21.4387 41.0854 21.4387 -5.16771 -16.7133 41.0854 -16.7133 4.0621 GPRESSAVG: 3698400 46.2474 20.8582 41.1077 22.25 -6.91146 -16.8516 39.7786 -14.6421 4.44829 TIMING: 3698400 CPU: 11750.8, 0.00315323/step Wall: 11750.8, 0.00315323/step, 1.14007 hours remaining, 240.664062 MB of memory in use. ENERGY: 3698400 3955.1724 20655.8802 14499.6221 269.0793 -203143.3526 2434.7828 0.0000 0.0000 51866.0589 -109462.7568 298.0750 -161328.8158 -109111.2525 299.3598 -141.6299 -109.8601 759932.4548 14.6640 14.5947 PRESSURE: 3698600 -38.1861 75.6244 288.641 75.624 12.7755 218.752 288.64 218.751 73.3897 GPRESSURE: 3698600 -4.24838 126.291 263.465 217.23 39.1485 293.597 58.0539 213.169 89.3793 PRESSAVG: 3698600 13.9702 25.0406 41.5768 25.0406 -16.3555 13.9556 41.5767 13.9556 -3.72713 GPRESSAVG: 3698600 12.7119 26.278 39.5404 25.2903 -15.6072 14.7247 41.63 12.2102 -3.295 TIMING: 3698600 CPU: 11751.4, 0.00314802/step Wall: 11751.4, 0.00314802/step, 1.13801 hours remaining, 240.664062 MB of memory in use. ENERGY: 3698600 3980.4648 20503.8728 14466.7514 246.7719 -203097.5626 2391.7410 0.0000 0.0000 51979.4260 -109528.5348 298.7265 -161507.9608 -109165.6023 299.2541 15.9930 41.4265 761359.8443 -2.0375 -2.0634 PRESSURE: 3698800 85.5392 -30.0694 -52.0325 -30.0691 31.1044 -43.6996 -52.0321 -43.6976 145.182 GPRESSURE: 3698800 111.485 -90.0072 -139.635 -181.433 13.4788 -126.447 -83.4499 -61.0575 203.445 PRESSAVG: 3698800 -18.9662 -44.2836 53.3451 -44.2837 14.9505 35.509 53.3451 35.5091 2.49948 GPRESSAVG: 3698800 -18.3905 -46.7074 55.2169 -42.107 15.1875 34.71 52.431 36.7644 2.00942 TIMING: 3698800 CPU: 11752.1, 0.00315732/step Wall: 11752.1, 0.00315732/step, 1.1412 hours remaining, 240.664062 MB of memory in use. ENERGY: 3698800 4053.4751 20392.8813 14478.1364 236.3425 -203292.7606 2496.3056 0.0000 0.0000 52208.0105 -109427.6092 300.0402 -161635.6197 -109070.6976 299.0890 87.2751 109.4697 760864.3996 -0.5054 -0.3979 PRESSURE: 3699000 351.766 186.697 -29.8462 186.698 -158.878 -90.4304 -29.846 -90.4299 221.938 GPRESSURE: 3699000 349.65 169.229 -138.113 134.124 -97.0407 -155.52 73.2615 -52.2267 252.042 PRESSAVG: 3699000 23.4712 -0.326749 10.4535 -0.32673 -37.3418 -17.6875 10.4536 -17.6874 -31.8924 GPRESSAVG: 3699000 23.5482 -1.00437 8.52731 -3.30767 -38.4194 -17.802 11.1856 -16.5774 -30.9772 TIMING: 3699000 CPU: 11752.7, 0.00314125/step Wall: 11752.7, 0.00314125/step, 1.13521 hours remaining, 240.664062 MB of memory in use. ENERGY: 3699000 4025.1582 20582.4044 14390.8149 259.6199 -203203.7858 2586.2775 0.0000 0.0000 51975.9701 -109383.5408 298.7066 -161359.5109 -109024.4991 299.2059 138.2754 168.2171 760989.6954 -15.2543 -15.2828 PRESSURE: 3699200 -109.274 -226.599 21.2138 -226.598 8.35722 319.677 21.2132 319.677 444.152 GPRESSURE: 3699200 -34.7989 -77.7176 36.9522 -100.486 20.0885 254.588 -18.0561 316.028 437.529 PRESSAVG: 3699200 32.2864 -16.5915 -20.0322 -16.5915 -9.55231 20.863 -20.0322 20.863 31.6479 GPRESSAVG: 3699200 31.8594 -13.7247 -18.8671 -17.5806 -8.57279 20.791 -18.2211 18.491 30.7784 TIMING: 3699200 CPU: 11753.3, 0.00313073/step Wall: 11753.3, 0.00313073/step, 1.13124 hours remaining, 240.664062 MB of memory in use. ENERGY: 3699200 3982.8989 20505.4686 14463.8389 256.6320 -202981.3850 2400.2656 0.0000 0.0000 51882.6149 -109489.6660 298.1701 -161372.2809 -109131.7128 298.9738 114.4118 140.9396 761765.9926 18.1273 18.0217 PRESSURE: 3699400 -176.853 152.79 -112.944 152.79 -244.743 105.855 -112.944 105.855 45.7132 GPRESSURE: 3699400 -201.114 188.052 -145.263 173.217 -189.627 158.17 -86.5137 45.5242 86.909 PRESSAVG: 3699400 -7.00665 -0.725096 6.9686 -0.725124 35.5913 67.2446 6.96863 67.2445 25.543 GPRESSAVG: 3699400 -7.51269 0.18306 4.65288 -0.0965817 36.278 67.8447 7.52937 68.9394 25.2731 TIMING: 3699400 CPU: 11753.9, 0.00313453/step Wall: 11753.9, 0.00313453/step, 1.13244 hours remaining, 240.664062 MB of memory in use. ENERGY: 3699400 3997.6454 20630.7880 14429.5763 227.4282 -203430.9534 2724.7300 0.0000 0.0000 51941.8065 -109478.9790 298.5103 -161420.7855 -109120.5563 298.6105 -125.2944 -101.2775 762638.5225 18.0426 18.0128 PRESSURE: 3699600 -197.978 31.2958 244.594 31.2968 139.144 158.523 244.594 158.524 312.826 GPRESSURE: 3699600 -93.0217 80.2833 277.466 -3.43646 114.713 108.327 237.83 199.517 336.372 PRESSAVG: 3699600 4.47737 20.6448 -1.80352 20.6448 -0.739664 -58.2552 -1.80344 -58.2552 -9.33194 GPRESSAVG: 3699600 5.91353 19.1808 -0.443709 20.1742 -1.9601 -58.8905 -3.42464 -57.7571 -9.11945 TIMING: 3699600 CPU: 11754.6, 0.00312186/step Wall: 11754.6, 0.00312186/step, 1.12768 hours remaining, 240.664062 MB of memory in use. ENERGY: 3699600 4021.7697 20477.0906 14454.8563 244.2585 -203854.0933 2812.9964 0.0000 0.0000 52150.6488 -109692.4729 299.7105 -161843.1218 -109317.9163 298.8558 84.6642 119.3545 760124.4946 -1.8647 -1.7220 PRESSURE: 3699800 -283.834 -73.4095 216.479 -73.4085 -103.35 172.755 216.479 172.757 -158.349 GPRESSURE: 3699800 -221.64 -4.66927 206.994 -141.012 -85.3667 166.903 160.316 115.716 -142.656 PRESSAVG: 3699800 -17.821 -43.7941 -29.4158 -43.7941 30.4731 -26.0063 -29.4158 -26.0064 -2.60747 GPRESSAVG: 3699800 -19.0499 -43.2237 -27.945 -41.9002 30.9362 -25.7605 -28.7938 -28.1654 -1.86705 TIMING: 3699800 CPU: 11755.2, 0.00314126/step Wall: 11755.2, 0.00314126/step, 1.13452 hours remaining, 240.664062 MB of memory in use. ENERGY: 3699800 4018.0290 20511.5027 14565.8434 259.4826 -203229.8790 2267.4320 0.0000 0.0000 51939.4936 -109668.0958 298.4970 -161607.5894 -109305.9694 298.8290 -181.8444 -149.8876 761502.8927 3.3482 3.3398 PRESSURE: 3700000 -150.537 -250.054 -92.7226 -250.054 -35.7937 -40.8062 -92.7225 -40.8062 61.7377 GPRESSURE: 3700000 -101.588 -277.953 -34.0474 -148.254 -46.6313 -26.2263 -118.37 44.6429 90.3585 PRESSAVG: 3700000 -29.8071 62.2805 37.01 62.2806 57.3993 -23.3911 37.01 -23.3912 -17.0556 GPRESSAVG: 3700000 -27.9354 62.1871 36.253 61.2245 56.1987 -23.4267 37.0031 -21.2247 -18.0792 TIMING: 3700000 CPU: 11755.8, 0.00314678/step Wall: 11755.8, 0.00314678/step, 1.13634 hours remaining, 240.664062 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: 3700000 3955.1022 20337.2449 14570.2494 247.7890 -203227.5863 2338.5441 0.0000 0.0000 51900.2161 -109878.4407 298.2713 -161778.6568 -109517.7594 298.6929 -41.5311 -19.2871 760521.9582 3.5122 3.3947 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 28.2821 -156.877 62.4882 -156.878 -255.805 33.2096 62.4887 33.2089 -73.2463 GPRESSURE: 3700200 32.7361 -206.565 -65.2333 -3.28175 -195.835 11.4823 52.7057 120.474 -54.5176 PRESSAVG: 3700200 23.8029 50.1044 30.0098 50.1043 -14.3843 -71.6758 30.0098 -71.6758 0.847324 GPRESSAVG: 3700200 21.0508 49.3521 29.0221 51.3471 -14.6057 -71.1002 30.2646 -71.8435 3.83109 TIMING: 3700200 CPU: 11756.5, 0.00324747/step Wall: 11756.5, 0.00324747/step, 1.17252 hours remaining, 240.664062 MB of memory in use. ENERGY: 3700200 4015.6423 20512.6550 14510.1064 237.9431 -203604.6922 2747.7437 0.0000 0.0000 51753.8337 -109826.7680 297.4300 -161580.6017 -109466.1876 298.2394 -100.2563 -72.5388 760324.1207 3.4220 3.4254 LDB: ============= START OF LOAD BALANCING ============== 11768.9 LDB: ============== END OF LOAD BALANCING =============== 11768.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11768.9 LDB: ============= START OF LOAD BALANCING ============== 11769.2 LDB: Largest compute 7047 load 0.032597 is 16.7% of average load 0.195362 LDB: Average compute 0.004366 is 2.2% of average load 0.195362 LDB: TIME 11769.2 LOAD: AVG 0.195362 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.883 MB LDB: TIME 11769.2 LOAD: AVG 0.195362 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.887 MB LDB: TIME 11769.2 LOAD: AVG 0.195362 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.887 MB LDB: ============== END OF LOAD BALANCING =============== 11769.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11769.2 PRESSURE: 3700400 -84.557 24.2686 36.2024 24.2686 -36.1571 9.60534 36.2033 9.60514 111.154 GPRESSURE: 3700400 24.5676 -15.7091 60.3362 -8.59958 3.00031 -4.47945 137.989 -171.698 65.5317 PRESSAVG: 3700400 30.4444 50.3105 1.02823 50.3105 -20.2679 -46.1046 1.02825 -46.1046 25.7189 GPRESSAVG: 3700400 30.9722 49.6311 1.29984 49.9704 -19.2198 -46.3249 1.59957 -47.6126 24.4453 TIMING: 3700400 CPU: 11757.1, 0.00319908/step Wall: 11757.1, 0.00319908/step, 1.15487 hours remaining, 240.347656 MB of memory in use. ENERGY: 3700400 3942.7473 20478.4201 14507.9662 264.9653 -203697.5589 2686.7883 0.0000 0.0000 52214.1211 -109602.5506 300.0753 -161816.6717 -109245.0136 298.1400 -3.1867 31.0332 760408.2556 11.9651 12.0659 PRESSURE: 3700600 8.80584 -26.2378 -161.773 -26.2378 -11.9851 -3.41844 -161.773 -3.41732 31.3909 GPRESSURE: 3700600 59.9514 -36.4828 -215.646 -79.9563 -26.1431 -21.8562 -78.4324 -118.193 56.7922 PRESSAVG: 3700600 5.42075 -28.1147 25.9505 -28.1148 -29.6056 -25.2843 25.9506 -25.2842 6.20255 GPRESSAVG: 3700600 5.64597 -27.476 26.3813 -30.0877 -29.3541 -25.9356 26.5283 -26.2457 5.07817 TIMING: 3700600 CPU: 11757.7, 0.00312055/step Wall: 11757.7, 0.00312055/step, 1.12635 hours remaining, 240.550781 MB of memory in use. ENERGY: 3700600 3926.7507 20329.0280 14446.7505 240.5970 -203109.2269 2411.4374 0.0000 0.0000 51979.6260 -109775.0373 298.7276 -161754.6633 -109415.9435 299.2208 9.4039 30.2002 761849.9716 -5.9941 -6.2100 PRESSURE: 3700800 -124.698 -28.273 135.194 -28.2747 -42.5046 -118.154 135.196 -118.154 113.727 GPRESSURE: 3700800 -151.662 48.3581 98.2395 32.0494 72.3185 -103.927 208.005 23.1024 108.31 PRESSAVG: 3700800 9.8042 31.339 25.3369 31.3389 17.2936 -4.38707 25.3369 -4.38706 4.76283 GPRESSAVG: 3700800 10.4918 29.7689 25.8853 32.8201 15.1632 -2.65592 23.7425 -3.12345 6.36317 TIMING: 3700800 CPU: 11758.4, 0.00311996/step Wall: 11758.4, 0.00311996/step, 1.12596 hours remaining, 240.550781 MB of memory in use. ENERGY: 3700800 3969.5112 20285.4318 14439.3713 256.7043 -202845.3274 2315.7521 0.0000 0.0000 51954.7924 -109623.7642 298.5849 -161578.5566 -109249.9738 298.6272 -17.8251 9.6555 760198.8580 10.6202 10.6727 PRESSURE: 3701000 -54.9012 146.863 -67.3509 146.863 -68.2292 119.897 -67.3516 119.897 -304.41 GPRESSURE: 3701000 27.9685 112.989 -13.3298 149.875 -126.295 186.2 64.2015 2.04041 -244.147 PRESSAVG: 3701000 37.7967 23.8522 -16.8393 23.8521 -30.425 -1.07299 -16.8393 -1.07293 -2.90507 GPRESSAVG: 3701000 36.8088 23.5217 -17.6323 25.5451 -30.4003 -3.03957 -16.9263 -0.508037 -2.61963 TIMING: 3701000 CPU: 11759, 0.00314947/step Wall: 11759, 0.00314947/step, 1.13643 hours remaining, 240.550781 MB of memory in use. ENERGY: 3701000 4012.0313 20379.3148 14430.7183 255.0778 -203185.7060 2508.7504 0.0000 0.0000 51905.5719 -109694.2416 298.3020 -161599.8135 -109330.1616 298.7176 -142.5133 -114.1577 762507.6423 1.4889 1.2629 PRESSURE: 3701200 106.29 -23.7097 33.1858 -23.7096 -108.555 -74.1875 33.1866 -74.1873 -78.0669 GPRESSURE: 3701200 216.871 -142.175 -46.1693 9.32845 -109.616 -83.367 -12.0601 -106.109 -107.212 PRESSAVG: 3701200 29.1608 -13.6523 -5.57896 -13.6524 -22.8589 -17.3534 -5.5789 -17.3534 9.23552 GPRESSAVG: 3701200 28.9956 -13.1889 -5.61279 -15.1874 -21.6797 -16.6908 -7.12803 -20.14 8.16933 TIMING: 3701200 CPU: 11759.6, 0.00313566/step Wall: 11759.6, 0.00313566/step, 1.13128 hours remaining, 240.550781 MB of memory in use. ENERGY: 3701200 3980.6702 20400.5408 14488.0840 247.3829 -203005.8204 2324.8904 0.0000 0.0000 52078.6070 -109485.6451 299.2965 -161564.2521 -109121.8286 298.8962 -26.7775 0.0142 761960.8399 5.1791 5.1618 PRESSURE: 3701400 236.501 -293.108 70.0713 -293.107 -29.3666 292.206 70.071 292.205 295.634 GPRESSURE: 3701400 311.079 -256.55 187.068 -195.911 7.53244 294.858 -142.229 181.171 272.884 PRESSAVG: 3701400 33.8313 -10.0512 21.978 -10.0512 -36.5661 -11.6687 21.978 -11.6688 14.4486 GPRESSAVG: 3701400 33.6355 -9.64387 21.5819 -9.02487 -35.7947 -13.9416 22.1895 -9.6133 14.4777 TIMING: 3701400 CPU: 11760.2, 0.0031281/step Wall: 11760.2, 0.0031281/step, 1.12837 hours remaining, 240.550781 MB of memory in use. ENERGY: 3701400 3915.3391 20424.7747 14465.6263 246.3987 -203499.4601 2893.9537 0.0000 0.0000 52217.5475 -109335.8201 300.0950 -161553.3675 -108979.4318 299.0649 167.5894 197.1653 760934.4062 3.9046 4.1062 PRESSURE: 3701600 322.828 -55.9053 55.6583 -55.9053 414.758 -10.1749 55.659 -10.1762 638.34 GPRESSURE: 3701600 445.126 -37.9628 29.8563 -22.3905 460.187 -67.1996 12.2147 -49.9477 566.651 PRESSAVG: 3701600 18.3531 -62.3045 27.3653 -62.3045 17.8839 -2.24534 27.3653 -2.24541 -9.88548 GPRESSAVG: 3701600 20.1402 -62.2966 27.4804 -62.8119 16.6539 -0.16419 28.7037 -3.8111 -10.5978 TIMING: 3701600 CPU: 11760.9, 0.00313282/step Wall: 11760.9, 0.00313282/step, 1.1299 hours remaining, 240.550781 MB of memory in use. ENERGY: 3701600 3989.9078 20465.5813 14458.6735 231.1603 -203618.6848 3050.6378 0.0000 0.0000 52197.2827 -109225.4414 299.9785 -161422.7241 -108864.5174 300.0149 458.6417 490.6547 761814.6253 8.7838 8.7321 PRESSURE: 3701800 -253.215 -53.6604 32.5373 -53.6603 -630.032 30.6499 32.5368 30.6501 -153.742 GPRESSURE: 3701800 -205.876 -77.0175 33.5247 -82.8946 -562.848 37.1229 -11.1306 42.7169 -168.275 PRESSAVG: 3701800 19.7652 -19.9667 36.6838 -19.9666 -62.3467 -64.4015 36.6839 -64.4014 14.568 GPRESSAVG: 3701800 18.1685 -22.7979 37.6975 -17.5844 -61.0922 -63.8944 35.6138 -61.6058 14.8349 TIMING: 3701800 CPU: 11761.5, 0.00315077/step Wall: 11761.5, 0.00315077/step, 1.1362 hours remaining, 240.550781 MB of memory in use. ENERGY: 3701800 4066.4025 20271.2055 14478.2264 233.6684 -202975.9700 2417.3095 0.0000 0.0000 52353.0457 -109156.1120 300.8737 -161509.1577 -108790.5623 299.9027 -345.6631 -312.3331 763449.2293 -9.3378 -9.3629 PRESSURE: 3702000 133.578 -96.5934 225.427 -96.5927 -46.8821 -44.01 225.428 -44.0099 193.085 GPRESSURE: 3702000 128.251 -65.824 175.691 -163.285 57.2275 62.4706 76.2466 -6.77249 166.473 PRESSAVG: 3702000 29.7411 -56.9229 23.7676 -56.9229 -29.2038 -41.708 23.7676 -41.708 -12.2275 GPRESSAVG: 3702000 30.9762 -55.1474 23.0051 -60.5321 -29.6546 -43.2068 22.3501 -43.3354 -12.7297 TIMING: 3702000 CPU: 11762.1, 0.00313892/step Wall: 11762.1, 0.00313892/step, 1.13175 hours remaining, 240.550781 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: 3702000 4054.3349 20427.8145 14492.5053 248.5849 -203724.9737 2994.8594 0.0000 0.0000 52222.0664 -109284.8084 300.1209 -161506.8747 -108925.5983 299.6134 93.2602 117.3173 761431.9820 -3.8967 -3.8027 PRESSURE: 3702200 227.191 -65.4416 160.445 -65.4419 -200.035 -291.84 160.445 -291.84 -20.0057 GPRESSURE: 3702200 221.801 50.6489 193.081 -53.2926 -129.199 -246.904 238.786 -205.562 10.2388 PRESSAVG: 3702200 29.1099 7.43445 5.47075 7.43447 -23.0892 -58.5489 5.4708 -58.5489 2.21637 GPRESSAVG: 3702200 29.1284 7.36172 6.06254 8.60729 -23.5153 -58.6583 7.51204 -59.523 2.62782 TIMING: 3702200 CPU: 11762.7, 0.00313201/step Wall: 11762.7, 0.003132/step, 1.12909 hours remaining, 240.550781 MB of memory in use. ENERGY: 3702200 3991.0338 20491.7459 14612.0916 257.4986 -203320.5754 2770.4179 0.0000 0.0000 51931.6796 -109266.1079 298.4521 -161197.7876 -108894.9224 299.4119 2.3834 34.2801 761733.6878 2.7457 2.7470 PRESSURE: 3702400 -191.734 -216.867 -11.4779 -216.867 73.334 -200.266 -11.4776 -200.266 -192.199 GPRESSURE: 3702400 -160.412 -283.518 5.70203 -122.907 88.4795 -146.126 -113.153 -114.12 -155.759 PRESSAVG: 3702400 27.6205 -71.7664 7.89812 -71.7665 -5.41505 -23.4186 7.89815 -23.4186 -1.91434 GPRESSAVG: 3702400 27.7993 -71.3998 7.40502 -69.3171 -6.04953 -23.3861 7.25879 -22.9754 -1.80458 TIMING: 3702400 CPU: 11763.4, 0.00314169/step Wall: 11763.4, 0.00314169/step, 1.13241 hours remaining, 240.550781 MB of memory in use. ENERGY: 3702400 3988.7790 20506.1139 14488.9271 237.2679 -202878.0143 2214.5446 0.0000 0.0000 52086.1689 -109356.2128 299.3399 -161442.3817 -108999.0002 299.4705 -103.5331 -75.8970 762321.1959 6.7637 6.6484 PRESSURE: 3702600 92.3559 -72.4294 54.4007 -72.4289 -76.2221 208.294 54.4014 208.294 102.949 GPRESSURE: 3702600 116.044 -121.568 56.3443 -161.501 -114.828 163.178 9.24367 100.244 193.807 PRESSAVG: 3702600 -16.4229 -25.1927 78.7787 -25.1926 7.23388 -5.95387 78.7787 -5.95384 -9.35678 GPRESSAVG: 3702600 -16.8043 -25.1931 78.0375 -26.9836 7.59444 -8.09877 79.577 -3.58758 -9.33127 TIMING: 3702600 CPU: 11764, 0.00313978/step Wall: 11764, 0.00313978/step, 1.13154 hours remaining, 240.550781 MB of memory in use. ENERGY: 3702600 3975.5716 20466.3759 14476.0432 254.6930 -202991.9980 2390.1620 0.0000 0.0000 52179.2448 -109249.9076 299.8748 -161429.1523 -108889.6716 299.1058 39.6942 65.0078 762397.5501 -6.1819 -6.1804 PRESSURE: 3702800 -149.183 75.328 162.272 75.3274 -582.359 -348.985 162.273 -348.984 -50.3393 GPRESSURE: 3702800 -199.28 30.7848 129.508 71.9287 -510.543 -349.819 244.591 -226.389 9.69976 PRESSAVG: 3702800 10.1048 9.27711 15.3164 9.2771 -60.8851 -17.668 15.3164 -17.668 3.38099 GPRESSAVG: 3702800 11.0556 7.55574 16.6219 10.4463 -61.2178 -15.5261 15.0374 -18.7435 2.95972 TIMING: 3702800 CPU: 11764.6, 0.00312072/step Wall: 11764.6, 0.00312072/step, 1.1245 hours remaining, 240.550781 MB of memory in use. ENERGY: 3702800 3962.0618 20382.8685 14457.3511 260.6515 -203414.3220 2579.5074 0.0000 0.0000 52509.2046 -109262.6772 301.7711 -161771.8818 -108888.1084 299.9038 -260.6272 -233.3743 762198.7890 -15.7998 -15.7342 PRESSURE: 3703000 -310.776 -80.3436 160.048 -80.3447 -92.9626 162.669 160.048 162.669 -112.705 GPRESSURE: 3703000 -250.122 -33.4621 181.561 -144.845 -71.0692 145.283 280.931 91.6564 -113.621 PRESSAVG: 3703000 84.0943 -51.9203 -19.0485 -51.9204 -58.497 40.9532 -19.0485 40.9532 9.76862 GPRESSAVG: 3703000 82.0704 -49.4451 -18.2901 -52.4482 -57.4439 40.6168 -20.0746 39.7146 10.3619 TIMING: 3703000 CPU: 11765.3, 0.00313296/step Wall: 11765.3, 0.00313296/step, 1.12874 hours remaining, 240.550781 MB of memory in use. ENERGY: 3703000 4014.5665 20550.0494 14418.6652 256.5353 -203458.8596 2775.7999 0.0000 0.0000 51931.5900 -109511.6533 298.4516 -161443.2433 -109152.2332 299.3620 -172.1477 -144.9373 762348.9320 11.7887 11.6628 PRESSURE: 3703200 -71.024 170.383 84.9192 170.383 53.9012 95.9268 84.918 95.9268 -511.693 GPRESSURE: 3703200 25.51 78.6283 101.36 -2.1609 -46.1174 119.26 93.734 235.908 -439.814 PRESSAVG: 3703200 -14.0633 -45.1383 22.4344 -45.1383 -14.8742 7.26766 22.4345 7.26776 12.801 GPRESSAVG: 3703200 -12.6979 -45.249 20.9149 -46.5543 -15.938 7.57928 23.8891 8.10628 12.1191 TIMING: 3703200 CPU: 11765.9, 0.00315326/step Wall: 11765.9, 0.00315326/step, 1.13587 hours remaining, 240.550781 MB of memory in use. ENERGY: 3703200 3930.4247 20612.2684 14486.4253 240.2709 -203164.7629 2414.4578 0.0000 0.0000 52039.9137 -109441.0021 299.0741 -161480.9158 -109081.6809 299.3421 -176.2719 -153.4737 761755.2811 -5.3788 -5.5056 PRESSURE: 3703400 -122.373 -343.384 189.093 -343.384 -7.27069 86.6439 189.093 86.644 -271.776 GPRESSURE: 3703400 -81.5362 -247.781 265.169 -263.318 21.6944 134.783 150.144 -22.1673 -265.57 PRESSAVG: 3703400 47.1466 -27.308 45.2953 -27.308 -31.0996 38.4199 45.2953 38.4199 -0.159408 GPRESSAVG: 3703400 47.1161 -28.3572 45.4637 -25.5956 -30.9852 37.761 43.4262 38.3512 -0.22257 TIMING: 3703400 CPU: 11766.5, 0.00315142/step Wall: 11766.5, 0.00315142/step, 1.13503 hours remaining, 240.550781 MB of memory in use. ENERGY: 3703400 4004.5313 20427.1859 14453.4453 256.1705 -203313.0458 2596.6795 0.0000 0.0000 52020.6107 -109554.4226 298.9632 -161575.0332 -109190.3751 299.2914 -133.8066 -108.4705 760426.2950 5.2959 5.3028 PRESSURE: 3703600 -31.855 -12.6009 143.822 -12.6008 -23.355 -233.463 143.822 -233.463 -375.582 GPRESSURE: 3703600 19.7236 24.4542 147.991 60.4907 -3.11469 -183.343 161.661 -183.033 -362.097 PRESSAVG: 3703600 -8.2506 -7.09366 3.49064 -7.09371 -34.9324 -2.67777 3.49068 -2.67772 -10.6701 GPRESSAVG: 3703600 -7.63899 -6.56667 3.86566 -7.67759 -35.162 -2.04468 5.05242 -3.28413 -11.0578 TIMING: 3703600 CPU: 11767.1, 0.00315518/step Wall: 11767.1, 0.00315518/step, 1.13621 hours remaining, 240.550781 MB of memory in use. ENERGY: 3703600 4029.3428 20523.3504 14472.2654 239.4258 -203173.6061 2562.4408 0.0000 0.0000 52079.9614 -109266.8194 299.3043 -161346.7808 -108905.4562 299.1031 -143.5973 -115.1627 761260.9962 -17.9511 -17.9529 PRESSURE: 3703800 39.1925 221.168 -151.044 221.167 -221.501 -217.958 -151.043 -217.958 -25.1423 GPRESSURE: 3703800 149.839 212.879 -132.354 316.381 -244.33 -234.054 -160.267 -117.184 -39.1991 PRESSAVG: 3703800 13.3535 13.1734 22.5327 13.1734 -0.179843 5.53469 22.5327 5.53471 3.46742 GPRESSAVG: 3703800 13.2899 14.1352 21.8064 12.6781 0.338101 4.75955 21.2815 4.6877 3.37769 TIMING: 3703800 CPU: 11767.8, 0.0031556/step Wall: 11767.8, 0.0031556/step, 1.13619 hours remaining, 240.550781 MB of memory in use. ENERGY: 3703800 3983.1181 20545.5107 14484.5104 257.8518 -203090.1416 2343.4207 0.0000 0.0000 52106.8185 -109368.9114 299.4586 -161475.7300 -108999.1879 299.7689 -69.1501 -44.5636 762030.8523 5.5470 5.6686 PRESSURE: 3704000 405.199 88.8543 101.848 88.854 101.106 43.6964 101.848 43.6959 208.225 GPRESSURE: 3704000 391.376 101.167 84.144 144.638 167.437 34.3268 -39.4098 97.1996 254.038 PRESSAVG: 3704000 1.65248 4.66873 -6.15682 4.66872 11.2515 29.8513 -6.15684 29.8514 7.27423 GPRESSAVG: 3704000 1.04649 4.0521 -6.48213 5.52918 12.5144 27.7286 -5.82968 33.7194 7.16883 TIMING: 3704000 CPU: 11768.4, 0.00315076/step Wall: 11768.4, 0.00315076/step, 1.13427 hours remaining, 240.550781 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: 3704000 4025.7933 20328.9498 14507.8024 246.8603 -203384.8107 2612.2461 0.0000 0.0000 52290.9379 -109372.2210 300.5167 -161663.1589 -109004.6916 299.2728 238.1768 270.9505 759504.2984 6.7261 6.9099 PRESSURE: 3704200 273.176 -149.196 183.814 -149.196 244.981 -5.429 183.815 -5.4282 137.189 GPRESSURE: 3704200 221.021 -101.563 160.673 -143.289 257.753 22.5467 212.347 -90.4335 240.713 PRESSAVG: 3704200 31.4612 23.6882 39.7188 23.6882 -27.5051 2.87825 39.7188 2.87825 -13.3513 GPRESSAVG: 3704200 31.303 22.436 39.6019 24.5728 -29.6309 5.02105 39.9488 0.141118 -11.7305 TIMING: 3704200 CPU: 11769, 0.00314136/step Wall: 11769, 0.00314136/step, 1.13072 hours remaining, 240.550781 MB of memory in use. ENERGY: 3704200 4002.9455 20533.2281 14511.4737 258.4797 -203491.8413 2747.1741 0.0000 0.0000 52073.3676 -109365.1726 299.2664 -161438.5402 -108989.9254 299.4197 218.4489 239.8289 761009.8404 -3.1317 -3.3528 LDB: ============= START OF LOAD BALANCING ============== 11781.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11781.5 LDB: =============== DONE WITH MIGRATION ================ 11781.5 LDB: ============= START OF LOAD BALANCING ============== 11781.8 LDB: Largest compute 7024 load 0.033655 is 17.2% of average load 0.195360 LDB: Average compute 0.004396 is 2.3% of average load 0.195360 LDB: TIME 11781.8 LOAD: AVG 0.19536 MAX 0.217095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 11781.8 LOAD: AVG 0.19536 MAX 0.217095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: TIME 11781.8 LOAD: AVG 0.19536 MAX 0.217095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: ============== END OF LOAD BALANCING =============== 11781.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11781.8 PRESSURE: 3704400 -55.5816 46.1974 -63.9542 46.1971 175.109 12.4203 -63.9549 12.4209 268.072 GPRESSURE: 3704400 -19.0474 65.8789 -152.79 -85.1739 200.83 -27.2981 8.43447 28.2214 279.552 PRESSAVG: 3704400 -63.6646 -18.9921 24.614 -18.9921 86.2455 41.6755 24.6139 41.6755 18.4371 GPRESSAVG: 3704400 -62.6807 -20.3256 25.0264 -19.3912 86.0102 40.6954 24.4949 42.7939 17.626 TIMING: 3704400 CPU: 11769.7, 0.00321185/step Wall: 11769.7, 0.00321185/step, 1.15591 hours remaining, 240.093750 MB of memory in use. ENERGY: 3704400 4063.9801 20599.2737 14487.9389 262.7096 -203673.5845 2823.8689 0.0000 0.0000 52060.2097 -109375.6035 299.1907 -161435.8131 -109024.1991 299.7235 129.1999 153.7782 762182.7255 13.6727 13.6518 PRESSURE: 3704600 -182.944 215.104 -137.964 215.104 -340.445 -144.466 -137.964 -144.464 226.548 GPRESSURE: 3704600 -169.286 155.604 -139.509 178.031 -251.99 -108.773 -92.3739 -146.466 214.257 PRESSAVG: 3704600 -38.0419 20.3717 24.567 20.3717 20.9234 -11.7192 24.567 -11.7192 -15.0378 GPRESSAVG: 3704600 -38.316 21.1961 24.8856 20.1312 20.4559 -9.49683 25.021 -14.6333 -14.458 TIMING: 3704600 CPU: 11770.3, 0.00314534/step Wall: 11770.3, 0.00314535/step, 1.1318 hours remaining, 240.093750 MB of memory in use. ENERGY: 3704600 4052.0559 20494.8751 14582.5981 262.5393 -203730.7684 2831.0730 0.0000 0.0000 52135.5941 -109372.0329 299.6240 -161507.6270 -109004.8261 299.5980 -98.9471 -69.0063 761068.6593 -10.7188 -10.7727 PRESSURE: 3704800 -168.246 88.5157 135.59 88.516 -113.059 256.169 135.591 256.169 -192.374 GPRESSURE: 3704800 -171.981 92.546 194.661 -7.09466 -60.2078 170.915 17.4376 346.925 -166.057 PRESSAVG: 3704800 -3.99464 -8.91764 6.26534 -8.91761 -10.0778 -28.5241 6.26539 -28.5241 2.86407 GPRESSAVG: 3704800 -4.7216 -9.21756 6.68018 -8.27008 -8.33369 -31.2499 5.99386 -26.2894 2.77312 TIMING: 3704800 CPU: 11770.9, 0.0031615/step Wall: 11770.9, 0.0031615/step, 1.13744 hours remaining, 240.093750 MB of memory in use. ENERGY: 3704800 4022.1532 20546.1025 14494.0969 257.0291 -203386.1801 2479.9083 0.0000 0.0000 52265.9796 -109320.9105 300.3733 -161586.8901 -108959.4916 299.6471 -157.8927 -132.7487 761407.9236 -3.7361 -3.4274 PRESSURE: 3705000 -171.231 -203.018 -100.863 -203.018 -191.19 -442.43 -100.862 -442.43 -45.0056 GPRESSURE: 3705000 -135.396 -144.855 -105.674 -115.65 -204.677 -390.39 -68.851 -511.032 -13.5466 PRESSAVG: 3705000 119.587 1.78113 71.3527 1.78105 -95.6519 -59.2358 71.3527 -59.2358 -13.8178 GPRESSAVG: 3705000 118.707 2.12112 70.3885 0.597491 -94.7545 -57.5498 70.8741 -59.4518 -14.5396 TIMING: 3705000 CPU: 11771.6, 0.00315363/step Wall: 11771.6, 0.00315363/step, 1.13443 hours remaining, 240.093750 MB of memory in use. ENERGY: 3705000 3976.7238 20628.7576 14497.2219 252.2370 -203349.9280 2482.2214 0.0000 0.0000 52060.2526 -109452.5138 299.1910 -161512.7664 -109088.4684 299.7532 -135.8088 -117.8732 761214.5721 3.3724 3.1375 PRESSURE: 3705200 -288.459 -7.60535 137.42 -7.60542 83.6032 -254.132 137.421 -254.132 -36.7505 GPRESSURE: 3705200 -145.649 105.966 183.51 -75.4895 86.4307 -271.729 164.845 -147.973 -73.4669 PRESSAVG: 3705200 34.7124 42.3114 28.9009 42.3113 -29.0128 -46.3068 28.9009 -46.3068 25.4121 GPRESSAVG: 3705200 35.9091 43.5311 30.9652 43.5424 -30.1137 -47.5076 29.5763 -45.8123 25.0916 TIMING: 3705200 CPU: 11772.2, 0.00313469/step Wall: 11772.2, 0.00313469/step, 1.12744 hours remaining, 240.093750 MB of memory in use. ENERGY: 3705200 3922.1034 20502.8154 14471.6846 234.5910 -203080.7612 2344.1898 0.0000 0.0000 52230.4056 -109374.9713 300.1689 -161605.3769 -109006.6325 299.4469 -80.5354 -44.2283 760098.3900 10.3706 10.2957 PRESSURE: 3705400 171.419 -114.224 -445.623 -114.225 42.4308 -47.5792 -445.623 -47.5774 -131.773 GPRESSURE: 3705400 224.919 -227.892 -423.715 41.0408 22.1637 -62.8941 -266.489 -6.7371 -48.3002 PRESSAVG: 3705400 17.1752 24.1221 -6.97065 24.1221 -35.6815 -72.331 -6.97063 -72.3309 5.3721 GPRESSAVG: 3705400 16.9067 23.726 -7.77324 23.412 -36.0764 -71.7458 -7.70843 -72.9619 6.04865 TIMING: 3705400 CPU: 11772.8, 0.00315124/step Wall: 11772.8, 0.00315124/step, 1.13322 hours remaining, 240.093750 MB of memory in use. ENERGY: 3705400 4042.5817 20624.4161 14403.6976 266.7404 -203293.7068 2647.0626 0.0000 0.0000 52030.1526 -109279.0558 299.0180 -161309.2084 -108923.0614 299.5349 27.3592 66.2608 759765.5912 -4.3781 -4.3737 PRESSURE: 3705600 -223.072 92.7642 105.972 92.764 -342.97 -57.2156 105.972 -57.2166 -263.028 GPRESSURE: 3705600 -110.768 133.307 89.4758 57.0101 -309.564 -41.1965 -7.23935 -101.026 -328.12 PRESSAVG: 3705600 27.2268 -42.9937 7.63448 -42.9937 -6.29212 -44.1373 7.63448 -44.1373 12.4813 GPRESSAVG: 3705600 27.4408 -43.4247 5.89936 -43.6724 -7.18029 -43.8858 7.69246 -46.6048 12.2674 TIMING: 3705600 CPU: 11773.5, 0.00314548/step Wall: 11773.5, 0.00314548/step, 1.13098 hours remaining, 240.093750 MB of memory in use. ENERGY: 3705600 4004.3873 20342.8052 14525.9020 246.1745 -203122.6827 2432.9797 0.0000 0.0000 52174.6726 -109395.7614 299.8486 -161570.4340 -109042.8374 299.6802 -276.3567 -249.4840 761390.4641 11.1387 10.8426 PRESSURE: 3705800 399.82 -27.3965 25.6812 -27.3965 225.637 -101.628 25.6809 -101.627 613.837 GPRESSURE: 3705800 506.462 -74.6029 119.083 -110.227 202.688 -91.3099 -33.0387 -12.9983 616.074 PRESSAVG: 3705800 21.5718 -14.3702 11.6652 -14.3702 -43.977 -28.9446 11.6651 -28.9448 14.6719 GPRESSAVG: 3705800 21.9385 -13.4363 11.2379 -14.7278 -43.7167 -29.176 14.3602 -27.3923 13.9232 TIMING: 3705800 CPU: 11774.1, 0.0031298/step Wall: 11774.1, 0.0031298/step, 1.12516 hours remaining, 240.093750 MB of memory in use. ENERGY: 3705800 3955.6161 20380.5387 14501.5696 230.4229 -203393.5687 2809.7143 0.0000 0.0000 51980.4670 -109535.2402 298.7325 -161515.7073 -109175.7836 299.0691 413.0981 441.7413 759877.2568 -2.5778 -2.6184 PRESSURE: 3706000 -13.5363 -77.7196 74.5346 -77.7196 325.183 -138.274 74.5349 -138.275 -205.859 GPRESSURE: 3706000 67.0767 -59.8746 53.3906 -99.5089 278.539 -170.689 14.4986 -126.493 -166.916 PRESSAVG: 3706000 23.5202 -30.4591 3.77548 -30.459 -9.22059 -18.0808 3.77544 -18.0808 6.11118 GPRESSAVG: 3706000 21.3863 -30.394 6.55199 -30.612 -8.81617 -15.9701 0.962689 -20.2583 7.74666 TIMING: 3706000 CPU: 11774.7, 0.00316102/step Wall: 11774.7, 0.00316102/step, 1.13621 hours remaining, 240.093750 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: 3706000 3895.9810 20508.6469 14513.1045 250.1735 -203263.8868 2500.8662 0.0000 0.0000 52345.0973 -109250.0172 300.8280 -161595.1145 -108885.9724 299.6786 35.2627 59.5666 760941.3476 6.8036 6.7723 PRESSURE: 3706200 -214.554 181.677 -133.978 181.675 -107.055 -125.98 -133.977 -125.979 251.728 GPRESSURE: 3706200 -117.272 278.027 -120.132 163.576 -168.063 15.565 -54.2264 25.3153 280.517 PRESSAVG: 3706200 16.306 18.6103 5.80896 18.6103 11.0852 -31.4579 5.80893 -31.458 -0.710391 GPRESSAVG: 3706200 17.8131 18.842 2.73164 20.3408 12.1453 -32.1839 7.43067 -27.9547 -3.12962 TIMING: 3706200 CPU: 11775.3, 0.00313919/step Wall: 11775.3, 0.00313919/step, 1.12819 hours remaining, 240.093750 MB of memory in use. ENERGY: 3706200 4025.3660 20692.5624 14518.9684 253.5623 -203428.7339 2683.5892 0.0000 0.0000 51995.1125 -109259.5732 298.8166 -161254.6857 -108905.3382 299.6421 -23.2940 -1.6061 761638.8541 8.8936 8.9429 PRESSURE: 3706400 -263.631 -226.585 90.6483 -226.584 155.859 39.2134 90.6479 39.215 35.387 GPRESSURE: 3706400 -186.355 -195.625 65.8972 -137.759 200.349 41.8758 -8.49591 96.9992 2.64535 PRESSAVG: 3706400 -53.8473 14.4898 45.818 14.4898 19.7082 21.3312 45.818 21.3312 37.404 GPRESSAVG: 3706400 -54.3086 15.2245 47.8454 14.1716 19.3369 21.4164 45.9534 21.1037 38.2475 TIMING: 3706400 CPU: 11776, 0.00314764/step Wall: 11776, 0.00314764/step, 1.13105 hours remaining, 240.093750 MB of memory in use. ENERGY: 3706400 3979.4669 20557.1986 14544.4270 244.4830 -203508.2706 2760.0685 0.0000 0.0000 52015.2767 -109407.3497 298.9325 -161422.6265 -109046.6712 299.7504 -24.1282 5.5464 760786.2542 1.0883 1.0919 PRESSURE: 3706600 -20.7405 94.5597 216.782 94.5587 -86.3823 -40.2879 216.782 -40.2867 -125.156 GPRESSURE: 3706600 3.77558 -5.76948 231.464 149.376 -72.7536 10.926 195.842 -36.8972 -82.8371 PRESSAVG: 3706600 19.2395 -26.958 36.0535 -26.958 -35.5611 -43.0008 36.0534 -43.0008 11.4018 GPRESSAVG: 3706600 18.7066 -28.5542 35.391 -26.1287 -36.3831 -42.148 36.9519 -47.282 12.7643 TIMING: 3706600 CPU: 11776.6, 0.00313967/step Wall: 11776.6, 0.00313967/step, 1.12801 hours remaining, 240.093750 MB of memory in use. ENERGY: 3706600 3979.2151 20448.7969 14495.3209 238.8620 -203472.5072 2758.3161 0.0000 0.0000 52212.5825 -109339.4137 300.0664 -161551.9962 -108973.5356 299.2087 -77.4264 -50.6050 759775.7611 -1.6399 -1.6374 PRESSURE: 3706800 -246.534 -44.4339 -297.418 -44.4345 117.465 23.1765 -297.419 23.1778 259.7 GPRESSURE: 3706800 -143.566 -55.923 -344.164 -75.2406 31.6753 127.665 -146.101 43.3584 330.372 PRESSAVG: 3706800 -12.0445 6.09478 20.8371 6.09471 -6.62825 -19.6946 20.8371 -19.6946 -11.9788 GPRESSAVG: 3706800 -10.3949 5.79756 21.2163 5.10862 -7.19621 -19.4083 18.5119 -18.7377 -12.7493 TIMING: 3706800 CPU: 11777.2, 0.00314939/step Wall: 11777.2, 0.00314939/step, 1.13133 hours remaining, 240.093750 MB of memory in use. ENERGY: 3706800 3999.4654 20500.0191 14547.2319 233.7075 -203190.6718 2524.8468 0.0000 0.0000 52067.5516 -109317.8494 299.2329 -161385.4010 -108958.0533 299.4778 43.5438 72.8270 760320.1702 -10.2172 -10.1135 PRESSURE: 3707000 -222.595 271.748 -110.213 271.748 -223.845 177.241 -110.213 177.24 68.7099 GPRESSURE: 3707000 -189.15 218.977 -132.206 240.341 -160.877 190.353 -59.8867 115.675 60.7041 PRESSAVG: 3707000 14.0017 -21.3585 -26.4386 -21.3584 -4.68062 -31.5099 -26.4386 -31.5099 10.1155 GPRESSAVG: 3707000 14.3457 -18.8898 -27.0374 -22.7089 -3.45593 -31.8253 -26.5069 -29.3203 8.66782 TIMING: 3707000 CPU: 11777.9, 0.00314828/step Wall: 11777.9, 0.00314828/step, 1.13076 hours remaining, 240.093750 MB of memory in use. ENERGY: 3707000 4000.6702 20589.8702 14513.4685 239.8070 -202825.1603 2191.9308 0.0000 0.0000 51885.7734 -109403.6401 298.1883 -161289.4135 -109038.9100 299.8036 -125.9101 -96.4411 762059.6942 6.4788 6.5192 PRESSURE: 3707200 -194.879 -74.2416 -18.2708 -74.2429 -10.7181 70.2634 -18.2712 70.2628 169.521 GPRESSURE: 3707200 -104.716 -174.365 8.26522 -182.513 67.1147 148.252 -7.40453 34.7156 76.0198 PRESSAVG: 3707200 10.5632 -23.3663 -19.4265 -23.3663 -38.2481 -18.9958 -19.4264 -18.9957 -13.7834 GPRESSAVG: 3707200 10.0984 -23.9129 -17.6447 -23.2099 -38.7629 -18.8697 -19.6214 -18.787 -12.3579 TIMING: 3707200 CPU: 11778.5, 0.00313442/step Wall: 11778.5, 0.00313442/step, 1.1256 hours remaining, 240.093750 MB of memory in use. ENERGY: 3707200 3970.2770 20575.7297 14453.6700 242.5700 -203648.8397 2630.4957 0.0000 0.0000 52181.0631 -109595.0342 299.8853 -161776.0973 -109231.1572 298.9184 -12.0253 12.8063 761958.0480 -13.8228 -13.6741 PRESSURE: 3707400 -404.445 56.4408 39.2167 56.4398 31.5522 -28.0327 39.2162 -28.0325 -358.316 GPRESSURE: 3707400 -333.283 205.562 61.6977 213.492 47.9016 -59.7888 -136.139 51.1049 -358.163 PRESSAVG: 3707400 -23.479 14.9555 17.773 14.9555 41.411 -11.4152 17.773 -11.4152 -8.3551 GPRESSAVG: 3707400 -23.4685 13.6681 19.0919 15.8011 40.6869 -13.4644 16.4467 -10.9704 -7.54261 TIMING: 3707400 CPU: 11779.1, 0.00314611/step Wall: 11779.1, 0.00314611/step, 1.12963 hours remaining, 240.093750 MB of memory in use. ENERGY: 3707400 3857.0320 20706.4411 14500.8111 243.6819 -203062.8536 2202.2702 0.0000 0.0000 52025.4455 -109527.1718 298.9910 -161552.6173 -109168.6554 299.2270 -243.7362 -214.5150 762283.6604 3.1923 3.2253 PRESSURE: 3707600 -24.6103 -164.604 128.196 -164.604 -149.607 -29.0898 128.197 -29.088 -74.3949 GPRESSURE: 3707600 7.95402 -84.2576 127.38 -66.3961 -108.703 35.4028 154.579 -14.9439 -69.7416 PRESSAVG: 3707600 -59.3618 46.8301 22.3219 46.8302 26.4843 7.18794 22.3219 7.18794 9.35527 GPRESSAVG: 3707600 -58.1868 47.3154 21.6353 47.6735 27.3526 7.93081 23.4996 5.90615 7.62234 TIMING: 3707600 CPU: 11779.7, 0.00315413/step Wall: 11779.7, 0.00315413/step, 1.13233 hours remaining, 240.093750 MB of memory in use. ENERGY: 3707600 4024.7333 20425.7890 14470.5873 247.2378 -203121.7130 2214.7368 0.0000 0.0000 51920.1853 -109818.4434 298.3860 -161738.6288 -109457.8506 298.8351 -82.8707 -56.8301 762154.7561 -7.8407 -7.7373 PRESSURE: 3707800 -24.4897 26.6407 -42.5379 26.6404 -248.15 23.4379 -42.5388 23.4386 -16.8246 GPRESSURE: 3707800 -32.379 35.6045 -75.8539 65.983 -269.779 138.707 30.3239 -4.57045 107.628 PRESSAVG: 3707800 34.9627 -4.86401 -11.3271 -4.86406 -26.3511 -9.70133 -11.3271 -9.70134 2.44563 GPRESSAVG: 3707800 32.9936 -5.03193 -12.9238 -4.29786 -26.1893 -8.65421 -9.31753 -9.99803 3.73663 TIMING: 3707800 CPU: 11780.4, 0.00316115/step Wall: 11780.4, 0.00316115/step, 1.13468 hours remaining, 240.093750 MB of memory in use. ENERGY: 3707800 4036.4395 20486.4780 14440.1556 264.8096 -203244.6015 2345.4184 0.0000 0.0000 52029.4299 -109641.8705 299.0138 -161671.3004 -109281.4064 298.9961 -96.4882 -64.8433 761709.1415 3.6857 3.5136 PRESSURE: 3708000 23.4102 -39.1182 132.809 -39.1181 47.125 -150.39 132.809 -150.39 38.2242 GPRESSURE: 3708000 119.178 -7.73969 124.028 -45.1153 -31.3833 -46.7306 65.3747 -132.445 113.886 PRESSAVG: 3708000 21.4896 -38.6043 -19.0737 -38.6043 4.25673 -26.9237 -19.0737 -26.9236 1.81645 GPRESSAVG: 3708000 23.2903 -38.7232 -19.1329 -38.798 1.99938 -28.5365 -21.2881 -25.2378 2.17363 TIMING: 3708000 CPU: 11781, 0.00317593/step Wall: 11781, 0.00317593/step, 1.13981 hours remaining, 240.093750 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: 3708000 3973.8773 20541.3794 14426.5134 236.0969 -203539.6957 2580.2324 0.0000 0.0000 52201.2486 -109580.3478 300.0013 -161781.5964 -109222.7565 299.1286 36.2531 67.2270 761323.1035 9.1876 9.1544 PRESSURE: 3708200 30.868 -18.8758 -104.834 -18.8753 149.01 -205.59 -104.833 -205.591 2.87985 GPRESSURE: 3708200 70.6382 25.545 -111.715 -42.8209 188.682 -206.201 -35.2859 -37.6746 -14.6649 PRESSAVG: 3708200 13.9029 -36.1087 -47.8358 -36.1086 -28.3965 37.6881 -47.8358 37.6882 19.1534 GPRESSAVG: 3708200 14.2648 -34.3227 -48.164 -35.6791 -26.6586 38.6139 -45.3686 36.0812 17.2621 TIMING: 3708200 CPU: 11781.6, 0.00314905/step Wall: 11781.6, 0.00314905/step, 1.12999 hours remaining, 240.093750 MB of memory in use. ENERGY: 3708200 3969.9449 20634.5263 14377.6058 239.2253 -203940.4504 2990.4553 0.0000 0.0000 52220.7578 -109507.9349 300.1134 -161728.6928 -109149.3469 299.2232 60.9192 81.5517 761337.2116 1.5533 1.6228 LDB: ============= START OF LOAD BALANCING ============== 11794.1 LDB: ============== END OF LOAD BALANCING =============== 11794.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11794.1 LDB: ============= START OF LOAD BALANCING ============== 11794.4 LDB: Largest compute 7048 load 0.033904 is 17.4% of average load 0.195302 LDB: Average compute 0.004388 is 2.2% of average load 0.195302 LDB: TIME 11794.4 LOAD: AVG 0.195302 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.945 MB LDB: TIME 11794.4 LOAD: AVG 0.195302 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: TIME 11794.4 LOAD: AVG 0.195302 MAX 0.215134 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: ============== END OF LOAD BALANCING =============== 11794.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11794.4 PRESSURE: 3708400 85.8469 64.4335 -83.1471 64.4328 -125.818 -76.9378 -83.147 -76.9376 -220.751 GPRESSURE: 3708400 66.6794 118.226 9.10403 -17.87 -81.8832 -92.6068 5.83969 -124.165 -179.698 PRESSAVG: 3708400 12.135 -21.9749 -3.61411 -21.9749 -26.6489 -17.3684 -3.61413 -17.3684 4.83284 GPRESSAVG: 3708400 10.6048 -22.6196 -3.02505 -23.1515 -26.1742 -18.1816 -4.62224 -15.9224 6.13471 TIMING: 3708400 CPU: 11782.3, 0.00318415/step Wall: 11782.3, 0.00318415/step, 1.1424 hours remaining, 239.527344 MB of memory in use. ENERGY: 3708400 4013.6155 20532.2290 14384.1396 242.2954 -203724.0292 2755.3231 0.0000 0.0000 52196.5168 -109599.9097 299.9741 -161796.4266 -109223.9069 299.1818 -86.9074 -64.9674 760217.2121 -3.2270 -3.1449 PRESSURE: 3708600 -108.723 -184.567 67.6839 -184.568 -118.37 -60.962 67.684 -60.9612 135.603 GPRESSURE: 3708600 -36.3062 -253.276 149.913 -151.763 -79.3917 -70.7835 127.02 -13.4085 125.646 PRESSAVG: 3708600 77.127 -33.8923 43.3071 -33.8924 -58.5775 9.04685 43.3071 9.04694 13.2074 GPRESSAVG: 3708600 77.4726 -33.5597 42.6384 -34.5792 -58.2915 9.45092 46.7311 9.16386 12.4376 TIMING: 3708600 CPU: 11782.9, 0.00311565/step Wall: 11782.9, 0.00311565/step, 1.11765 hours remaining, 239.527344 MB of memory in use. ENERGY: 3708600 4000.5677 20553.6584 14445.6069 275.7544 -203508.6603 2525.5847 0.0000 0.0000 51980.9786 -109726.5097 298.7354 -161707.4883 -109358.9981 298.9521 -30.4965 3.3160 761822.4683 10.5857 10.5396 PRESSURE: 3708800 -0.568661 224.622 112.561 224.622 -247.239 -110.332 112.561 -110.332 -295.912 GPRESSURE: 3708800 15.8033 215.852 244.605 260.473 -308.427 -169.204 -44.7045 -116.881 -165.869 PRESSAVG: 3708800 40.5703 -35.5346 -3.8452 -35.5346 -56.6346 -18.3647 -3.84524 -18.3646 6.34851 GPRESSAVG: 3708800 41.3285 -35.2853 -1.59176 -35.0544 -57.1861 -18.2373 -8.86193 -19.9248 6.94722 TIMING: 3708800 CPU: 11783.5, 0.0031346/step Wall: 11783.5, 0.0031346/step, 1.12428 hours remaining, 239.527344 MB of memory in use. ENERGY: 3708800 3963.1637 20530.8377 14467.8811 263.8086 -203243.5043 2433.6474 0.0000 0.0000 51689.0545 -109895.1115 297.0577 -161584.1659 -109543.4345 298.4599 -181.2399 -152.8307 760986.5371 -3.2386 -2.9701 PRESSURE: 3709000 106.966 -90.7924 165.885 -90.7911 -111.716 -219.808 165.884 -219.809 173.196 GPRESSURE: 3709000 99.303 -47.225 279.408 -150.873 -128.528 -287.148 80.7529 -75.6256 275.604 PRESSAVG: 3709000 39.3196 -20.166 -32.9486 -20.166 -6.61395 -3.12862 -32.9486 -3.12862 23.6959 GPRESSAVG: 3709000 40.0763 -22.3424 -34.6217 -20.1306 -7.47403 -5.30729 -33.7012 -0.972051 23.8994 TIMING: 3709000 CPU: 11784.2, 0.00313714/step Wall: 11784.2, 0.00313714/step, 1.12501 hours remaining, 239.527344 MB of memory in use. ENERGY: 3709000 3941.2673 20505.6238 14512.1027 263.8895 -203822.7384 2815.4487 0.0000 0.0000 51973.3336 -109811.0728 298.6915 -161784.4065 -109446.8054 298.6637 56.1484 82.1261 760251.2939 18.8005 18.8339 PRESSURE: 3709200 24.7617 45.3167 -234.523 45.316 -60.3378 238.544 -234.523 238.544 6.36985 GPRESSURE: 3709200 56.0849 -123.92 -278.787 68.7564 -19.9798 179.225 -141.048 226.101 -5.15672 PRESSAVG: 3709200 32.3468 -41.432 8.90857 -41.432 -15.8545 -2.13105 8.9086 -2.13106 -14.3301 GPRESSAVG: 3709200 32.135 -42.1151 9.38834 -39.9283 -15.057 -0.0769106 10.2551 -2.47561 -14.939 TIMING: 3709200 CPU: 11784.8, 0.00316399/step Wall: 11784.8, 0.00316399/step, 1.13447 hours remaining, 239.527344 MB of memory in use. ENERGY: 3709200 3980.6653 20488.3677 14467.9970 257.4631 -203724.1682 2680.2660 0.0000 0.0000 52089.4802 -109759.9289 299.3590 -161849.4091 -109398.0827 298.5819 -9.7354 10.3161 761737.7440 0.7207 0.7130 PRESSURE: 3709400 -222.082 -120.737 9.76458 -120.738 -414.348 199.353 9.76472 199.352 12.53 GPRESSURE: 3709400 -183.386 -94.9418 -60.5151 -138.05 -332.506 119.145 -22.2594 100.714 -21.1789 PRESSAVG: 3709400 25.5735 -94.2972 -10.4779 -94.2972 -35.4405 -63.5499 -10.4779 -63.5499 9.6532 GPRESSAVG: 3709400 24.2486 -92.9791 -11.5596 -94.927 -34.5283 -65.5176 -11.0359 -62.6943 10.0181 TIMING: 3709400 CPU: 11785.4, 0.00315099/step Wall: 11785.4, 0.00315099/step, 1.12963 hours remaining, 239.527344 MB of memory in use. ENERGY: 3709400 3988.3309 20328.6278 14515.4598 231.2144 -203138.2087 2183.2272 0.0000 0.0000 52121.5613 -109769.7873 299.5433 -161891.3486 -109398.5625 298.8970 -207.9666 -179.0235 762524.7753 -0.0713 -0.0872 PRESSURE: 3709600 22.4628 45.181 71.4794 45.1808 -63.6775 -197.683 71.4794 -197.682 -180.796 GPRESSURE: 3709600 7.96838 -45.5178 5.30522 57.0633 -52.2907 -168.935 73.1699 -121.609 -81.5753 PRESSAVG: 3709600 84.1469 -32.4639 45.2466 -32.464 -46.066 -49.655 45.2466 -49.655 8.14094 GPRESSAVG: 3709600 84.3096 -32.7865 44.7302 -33.7327 -47.0055 -47.7628 45.5112 -53.2907 8.78596 TIMING: 3709600 CPU: 11786, 0.00313886/step Wall: 11786, 0.00313886/step, 1.12511 hours remaining, 239.527344 MB of memory in use. ENERGY: 3709600 3974.0288 20427.5927 14463.1423 237.2430 -203875.4899 2987.5089 0.0000 0.0000 52059.7805 -109726.1935 299.1883 -161785.9741 -109366.0745 298.9505 -74.0037 -41.9659 761135.5646 15.4073 15.3634 PRESSURE: 3709800 253.204 -122.531 -80.4981 -122.531 -108.117 -216.453 -80.4971 -216.453 103.373 GPRESSURE: 3709800 307.726 -122.156 -48.1923 -248.181 -25.5081 -176.622 23.941 -15.2025 40.8829 PRESSAVG: 3709800 62.8211 -67.2413 16.9676 -67.2414 -53.8753 -68.0362 16.9676 -68.0363 26.2877 GPRESSAVG: 3709800 63.2467 -67.8586 18.7082 -65.312 -53.4676 -68.2143 17.2194 -64.0754 25.1118 TIMING: 3709800 CPU: 11786.7, 0.00311932/step Wall: 11786.7, 0.00311932/step, 1.11793 hours remaining, 239.527344 MB of memory in use. ENERGY: 3709800 3966.1865 20516.4000 14391.4024 245.7582 -203221.6177 2405.3014 0.0000 0.0000 51794.3356 -109902.2336 297.6628 -161696.5693 -109545.6427 298.7740 82.8201 107.7002 760765.0832 11.7445 11.6303 PRESSURE: 3710000 229.615 -37.5422 81.3563 -37.5416 270.075 -240.118 81.3565 -240.117 152.856 GPRESSURE: 3710000 228.475 -177.147 50.6557 -42.4247 350.65 -154.747 23.6647 -395.452 177.973 PRESSAVG: 3710000 37.5962 -6.19403 -21.8564 -6.19403 -3.00358 -34.0437 -21.8565 -34.0437 -15.4713 GPRESSAVG: 3710000 38.4061 -5.46478 -23.2506 -6.26762 -3.63434 -34.6641 -22.3459 -34.7321 -15.353 TIMING: 3710000 CPU: 11787.3, 0.00313759/step Wall: 11787.3, 0.00313759/step, 1.1243 hours remaining, 239.527344 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: 3710000 3900.9696 20490.7993 14456.7658 241.6255 -203770.6234 2847.6653 0.0000 0.0000 51748.5372 -110084.2606 297.3996 -161832.7978 -109729.4519 298.4614 217.5157 252.3661 760619.6198 6.3738 6.4729 PRESSURE: 3710200 -145.5 72.783 69.6081 72.7823 100.387 104.748 69.6082 104.747 -674.919 GPRESSURE: 3710200 -92.1024 -49.4045 128.772 -84.9281 30.9541 31.2389 -60.0319 69.6765 -570.317 PRESSAVG: 3710200 -28.2988 -3.45984 -23.6186 -3.45983 -29.9633 20.8896 -23.6185 20.8896 -32.8725 GPRESSAVG: 3710200 -29.3935 -3.77939 -20.2495 -4.38447 -29.4006 21.5132 -26.5067 19.8698 -32.5154 TIMING: 3710200 CPU: 11787.9, 0.0031426/step Wall: 11787.9, 0.0031426/step, 1.12592 hours remaining, 239.527344 MB of memory in use. ENERGY: 3710200 3911.3568 20381.8782 14410.1575 248.9086 -203409.5301 2434.9291 0.0000 0.0000 52049.7303 -109972.5696 299.1305 -162022.2999 -109605.4076 298.0368 -240.0106 -210.4884 763332.0710 -30.3782 -30.4365 PRESSURE: 3710400 218.397 -111.014 22.0036 -111.013 -3.15025 161.68 22.0041 161.679 140.142 GPRESSURE: 3710400 235.868 -35.851 -20.386 -61.4674 23.4096 208.388 124.965 107.904 166.869 PRESSAVG: 3710400 33.3862 -29.5482 2.51316 -29.5482 -50.8112 -3.16959 2.51313 -3.16957 14.3437 GPRESSAVG: 3710400 34.5059 -27.8248 1.31443 -29.9169 -51.9874 -0.472556 5.50098 -5.47502 14.0563 TIMING: 3710400 CPU: 11788.6, 0.00315794/step Wall: 11788.6, 0.00315794/step, 1.13124 hours remaining, 239.527344 MB of memory in use. ENERGY: 3710400 3916.0476 20292.1955 14508.9150 264.7301 -203778.9411 2766.2118 0.0000 0.0000 51908.1882 -110122.6529 298.3171 -162030.8411 -109759.0498 298.5707 118.4629 142.0488 761965.1210 -1.0271 -1.1417 PRESSURE: 3710600 190.166 196.5 -238.122 196.499 127.524 -104.577 -238.122 -104.577 -41.1712 GPRESSURE: 3710600 148.364 166.653 -184.097 85.0243 253.593 -141.346 -246.82 -13.8175 -50.6189 PRESSAVG: 3710600 -39.9173 -32.2436 3.57489 -32.2435 11.7524 3.0044 3.57491 3.00447 -13.3552 GPRESSAVG: 3710600 -40.2277 -32.7041 3.72846 -34.7128 11.5744 1.23899 4.47687 5.2019 -13.4043 TIMING: 3710600 CPU: 11789.2, 0.00317014/step Wall: 11789.2, 0.00317014/step, 1.13544 hours remaining, 239.527344 MB of memory in use. ENERGY: 3710600 4016.8488 20431.7643 14476.9067 233.7508 -203939.4413 2819.5933 0.0000 0.0000 52075.5880 -109884.9896 299.2791 -161960.5775 -109522.4180 298.0332 92.1732 117.1130 760501.8310 -13.8400 -14.0192 PRESSURE: 3710800 -67.9295 -39.724 291.387 -39.7238 -261.499 43.2029 291.387 43.2023 -212.903 GPRESSURE: 3710800 59.4127 81.9242 268.272 39.5908 -265.713 58.1314 164.235 135.374 -242.047 PRESSAVG: 3710800 -27.6384 19.9743 -34.0661 19.9743 -27.3347 -44.6089 -34.0662 -44.6089 17.6309 GPRESSAVG: 3710800 -28.3819 20.1254 -36.8709 21.7999 -27.9067 -45.2377 -33.9051 -44.0211 18.7573 TIMING: 3710800 CPU: 11789.8, 0.00316087/step Wall: 11789.8, 0.00316087/step, 1.13194 hours remaining, 239.527344 MB of memory in use. ENERGY: 3710800 3996.3661 20603.8442 14470.9696 239.8556 -203618.6712 2552.5203 0.0000 0.0000 52011.4957 -109743.6198 298.9108 -161755.1154 -109387.1076 298.9022 -180.7773 -149.4491 760922.0261 -12.4474 -12.5104 PRESSURE: 3711000 262.417 8.26396 -53.029 8.26419 -113.818 15.1102 -53.0296 15.112 -134.233 GPRESSURE: 3711000 187.461 40.0162 -62.1372 -149.514 11.4047 26.1692 37.5123 15.9297 -86.9172 PRESSAVG: 3711000 -36.2832 -26.0013 32.2849 -26.0013 -8.55115 -11.5374 32.2849 -11.5373 -2.10641 GPRESSAVG: 3711000 -35.5048 -26.4858 34.1599 -26.3054 -7.92453 -11.8086 32.7553 -13.6655 -3.4191 TIMING: 3711000 CPU: 11790.5, 0.00312851/step Wall: 11790.5, 0.00312851/step, 1.12018 hours remaining, 239.527344 MB of memory in use. ENERGY: 3711000 3949.7156 20461.5194 14426.7432 253.6078 -203652.1114 2575.6954 0.0000 0.0000 52222.7706 -109762.0594 300.1250 -161984.8300 -109396.8112 298.9856 4.7887 37.3162 761845.0835 -15.6469 -15.6162 PRESSURE: 3711200 55.3383 192.865 183.144 192.866 -230.471 -208.053 183.144 -208.052 38.4185 GPRESSURE: 3711200 -7.6741 105.69 107.831 132.842 -198.733 -196.087 182.661 -243.296 143.3 PRESSAVG: 3711200 -9.71676 -29.9979 -0.64059 -29.9979 -29.0886 -58.1776 -0.640594 -58.1776 -7.59679 GPRESSAVG: 3711200 -10.3948 -28.124 -0.323553 -30.0949 -28.941 -57.365 -2.04999 -57.0862 -7.27175 TIMING: 3711200 CPU: 11791.1, 0.00313/step Wall: 11791.1, 0.00313/step, 1.12054 hours remaining, 239.527344 MB of memory in use. ENERGY: 3711200 3998.3565 20567.0212 14421.9517 254.2673 -203510.2901 2390.3027 0.0000 0.0000 52265.6546 -109612.7362 300.3714 -161878.3907 -109248.7135 299.1496 -45.5712 -21.0356 760789.3732 -15.4674 -15.5358 PRESSURE: 3711400 -144.747 12.5239 -1.03428 12.5231 -216.715 -195.966 -1.03404 -195.966 48.9129 GPRESSURE: 3711400 -3.14386 28.4922 -42.7822 -32.5459 -277.256 -216.798 64.1193 -103.077 44.767 PRESSAVG: 3711400 58.2646 20.5503 -16.8847 20.5504 -20.5061 -22.4094 -16.8847 -22.4094 16.3575 GPRESSAVG: 3711400 59.0871 18.7923 -18.1235 20.9274 -20.4132 -23.1896 -14.4722 -20.9063 15.4802 TIMING: 3711400 CPU: 11791.7, 0.00312587/step Wall: 11791.7, 0.00312587/step, 1.11889 hours remaining, 239.527344 MB of memory in use. ENERGY: 3711400 3993.2995 20495.2201 14461.6975 242.9227 -203454.7744 2733.1228 0.0000 0.0000 52226.9400 -109301.5717 300.1489 -161528.5118 -108937.6460 299.7425 -104.1828 -78.5443 760797.0593 18.0387 18.0514 PRESSURE: 3711600 -27.8107 -226.094 -168.706 -226.094 -42.8083 180.093 -168.705 180.093 83.5803 GPRESSURE: 3711600 12.0147 -231.539 -51.3901 -159.849 12.7449 196.502 -197.863 86.3208 89.6596 PRESSAVG: 3711600 70.6959 -24.9929 -24.6861 -24.9928 -87.3652 -30.7923 -24.6861 -30.7923 -23.9518 GPRESSAVG: 3711600 70.0175 -25.7403 -25.428 -24.4788 -86.6984 -29.439 -25.3577 -33.8577 -23.378 TIMING: 3711600 CPU: 11792.3, 0.00314767/step Wall: 11792.3, 0.00314767/step, 1.12652 hours remaining, 239.527344 MB of memory in use. ENERGY: 3711600 3999.7413 20446.0020 14402.4074 259.8758 -203552.3144 2485.2677 0.0000 0.0000 52287.7311 -109671.2890 300.4983 -161959.0201 -109321.2698 299.4204 4.3204 38.1397 759596.9456 -13.5404 -13.3530 PRESSURE: 3711800 133.348 -85.7606 -240.164 -85.7616 61.1843 0.47224 -240.164 0.472695 -169.39 GPRESSURE: 3711800 150.391 -53.9419 -125.263 -153.932 141.666 61.3725 -154.054 -88.7928 -172.755 PRESSAVG: 3711800 35.7663 -5.64223 -60.5857 -5.64221 -41.035 -35.0408 -60.5858 -35.0409 17.9839 GPRESSAVG: 3711800 34.7335 -3.83691 -57.5821 -6.61528 -40.1094 -35.588 -58.947 -34.8679 18.2584 TIMING: 3711800 CPU: 11793, 0.00314674/step Wall: 11793, 0.00314674/step, 1.12601 hours remaining, 239.527344 MB of memory in use. ENERGY: 3711800 4114.0312 20410.3351 14365.9133 247.8496 -203786.5313 2812.6983 0.0000 0.0000 52028.7289 -109806.9749 299.0098 -161835.7038 -109440.4911 299.0354 8.3810 39.7670 758717.4237 4.2384 4.2942 PRESSURE: 3712000 388.003 -179.591 335.892 -179.591 220.771 -290.511 335.892 -290.511 50.6994 GPRESSURE: 3712000 436.725 -192.54 245.281 -154.042 194.805 -348.285 208.939 -184.459 121.843 PRESSAVG: 3712000 9.77139 -37.6632 -50.5597 -37.6632 -8.20983 -37.8078 -50.5598 -37.8079 -8.47862 GPRESSAVG: 3712000 9.8652 -36.7592 -51.7357 -36.1841 -9.84696 -37.4512 -55.1375 -36.0101 -7.00974 TIMING: 3712000 CPU: 11793.6, 0.00316853/step Wall: 11793.6, 0.00316853/step, 1.13363 hours remaining, 239.527344 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: 3712000 3978.8082 20404.4076 14425.0656 237.1004 -203685.2297 2703.8074 0.0000 0.0000 52112.5766 -109823.4639 299.4917 -161936.0405 -109474.1614 298.7908 219.8243 251.1245 761394.6844 -2.3057 -2.3305 PRESSURE: 3712200 38.5787 -90.1731 211.608 -90.1725 -187.395 208.18 211.609 208.181 217.193 GPRESSURE: 3712200 96.8989 -104.254 269.219 -17.7767 -175.334 174.072 231.496 142.488 236.28 PRESSAVG: 3712200 -43.811 -59.4446 26.4909 -59.4447 2.4787 -61.5157 26.4909 -61.5157 -11.004 GPRESSAVG: 3712200 -43.433 -59.4609 25.8811 -62.2145 3.49349 -62.5596 27.4312 -64.3173 -12.2476 TIMING: 3712200 CPU: 11794.2, 0.00314171/step Wall: 11794.2, 0.00314171/step, 1.12386 hours remaining, 239.527344 MB of memory in use. ENERGY: 3712200 4020.7914 20605.4686 14360.4473 227.1282 -203504.1975 2653.4564 0.0000 0.0000 52022.4803 -109614.4253 298.9739 -161636.9056 -109265.5662 298.6256 22.7924 52.6150 761565.7576 -17.4454 -17.3957 LDB: ============= START OF LOAD BALANCING ============== 11806.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11806.7 LDB: =============== DONE WITH MIGRATION ================ 11806.7 LDB: ============= START OF LOAD BALANCING ============== 11807 LDB: Largest compute 7048 load 0.034633 is 17.7% of average load 0.195294 LDB: Average compute 0.004374 is 2.2% of average load 0.195294 LDB: TIME 11807 LOAD: AVG 0.195294 MAX 0.21245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11807 LOAD: AVG 0.195294 MAX 0.21245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 11807 LOAD: AVG 0.195294 MAX 0.21245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 11807 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11807 PRESSURE: 3712400 -55.9962 191.939 72.3323 191.939 -365.567 165.155 72.3312 165.156 -97.6762 GPRESSURE: 3712400 -40.5588 140.302 40.911 126.458 -320.779 90.6949 50.7045 117.101 -101.079 PRESSAVG: 3712400 6.41672 -30.6353 30.0959 -30.6354 3.78336 -57.3306 30.096 -57.3306 28.8937 GPRESSAVG: 3712400 7.01845 -33.5666 30.3484 -28.3833 3.59169 -57.6221 32.3951 -57.8413 28.1785 TIMING: 3712400 CPU: 11794.9, 0.00321468/step Wall: 11794.9, 0.00321468/step, 1.14978 hours remaining, 240.039062 MB of memory in use. ENERGY: 3712400 4005.2225 20557.6293 14388.4618 241.4287 -203194.0894 2536.7532 0.0000 0.0000 51776.7559 -109687.8380 297.5617 -161464.5938 -109328.9616 299.3148 -173.0797 -154.1389 763136.6418 13.0313 12.9296 PRESSURE: 3712600 -30.2024 -138.197 15.6934 -138.197 164.43 225.393 15.6934 225.393 -195.65 GPRESSURE: 3712600 -15.0018 56.7878 48.6887 -133.523 205.192 189.658 1.64354 102.968 -147.354 PRESSAVG: 3712600 27.3253 -25.2165 -12.6038 -25.2166 -39.0743 -29.9491 -12.6038 -29.9491 26.006 GPRESSAVG: 3712600 26.5497 -23.2019 -11.7058 -26.8871 -39.092 -29.9956 -14.9118 -27.4193 25.9361 TIMING: 3712600 CPU: 11795.5, 0.00313721/step Wall: 11795.5, 0.00313721/step, 1.1219 hours remaining, 240.039062 MB of memory in use. ENERGY: 3712600 3956.0438 20501.6706 14442.2361 239.4715 -203455.8285 2683.9543 0.0000 0.0000 51703.6643 -109928.7879 297.1417 -161632.4523 -109579.3487 298.6488 -20.4741 14.2786 762077.7772 4.7523 4.4646 PRESSURE: 3712800 -207.283 -70.9855 -90.0927 -70.9853 -67.7471 -90.7214 -90.0919 -90.7217 97.047 GPRESSURE: 3712800 -95.9074 -134.55 -21.1638 34.2522 -111.474 -126.317 -15.883 7.97113 131.867 PRESSAVG: 3712800 -32.0774 -44.8275 12.0072 -44.8275 -13.6483 -60.5564 12.0072 -60.5564 -8.56749 GPRESSAVG: 3712800 -31.5287 -45.3714 12.6449 -44.4182 -14.0138 -60.012 15.6041 -63.139 -8.5252 TIMING: 3712800 CPU: 11796.1, 0.00315355/step Wall: 11796.1, 0.00315355/step, 1.12757 hours remaining, 240.039062 MB of memory in use. ENERGY: 3712800 3988.3758 20499.8146 14430.4680 234.1690 -203715.2926 2853.9343 0.0000 0.0000 52096.0767 -109612.4541 299.3969 -161708.5308 -109256.5921 298.8821 -59.3278 -25.1713 761812.1314 -18.0977 -18.0226 PRESSURE: 3713000 62.4555 -71.1004 89.0682 -71.1007 -48.0074 -172.586 89.0682 -172.585 -13.4764 GPRESSURE: 3713000 89.6873 -270.54 61.4241 -55.3954 -45.1849 -254.02 40.9159 -60.0841 63.9959 PRESSAVG: 3713000 -10.3467 12.9028 26.8549 12.9028 14.6105 -15.8439 26.855 -15.8439 3.2307 GPRESSAVG: 3713000 -11.4255 11.305 24.915 14.1162 13.9786 -14.7394 25.8693 -12.4302 4.67259 TIMING: 3713000 CPU: 11796.8, 0.0031561/step Wall: 11796.8, 0.0031561/step, 1.1283 hours remaining, 240.039062 MB of memory in use. ENERGY: 3713000 4030.2498 20473.4958 14411.9063 259.6443 -203270.6907 2562.2081 0.0000 0.0000 51703.7452 -109829.4412 297.1421 -161533.1864 -109485.0187 299.0016 0.3239 36.1661 762793.1410 2.4981 2.4086 PRESSURE: 3713200 214.04 -120.018 -221.361 -120.019 -109.512 114.719 -221.36 114.718 222.967 GPRESSURE: 3713200 234.386 5.01636 -190.284 -108.21 -45.4263 99.2155 -263.222 115.67 228.681 PRESSAVG: 3713200 32.1258 -29.947 5.24305 -29.947 -44.7024 -23.4342 5.24306 -23.4342 16.8744 GPRESSAVG: 3713200 32.2168 -28.1558 7.62483 -29.713 -43.4301 -25.769 2.7801 -27.0274 14.8217 TIMING: 3713200 CPU: 11797.4, 0.00311707/step Wall: 11797.4, 0.00311707/step, 1.11418 hours remaining, 240.039062 MB of memory in use. ENERGY: 3713200 3952.8064 20397.7723 14435.6198 240.0729 -203698.5563 2741.5223 0.0000 0.0000 51911.3480 -110019.4146 298.3352 -161930.7626 -109656.2383 298.5416 109.1652 139.2135 761415.6215 1.4326 1.2028 PRESSURE: 3713400 -259.631 86.8915 -102.48 86.8922 -482.917 181.974 -102.48 181.974 -289.371 GPRESSURE: 3713400 -236.86 64.758 -105.588 42.003 -483.807 163.913 -21.3778 160.721 -224.38 PRESSAVG: 3713400 24.8435 34.7726 2.8449 34.7727 -11.13 -40.3191 2.8449 -40.3191 -3.70391 GPRESSAVG: 3713400 25.0448 35.6707 1.85665 31.4472 -12.3771 -38.3443 4.63088 -39.3166 -2.16981 TIMING: 3713400 CPU: 11798, 0.00312299/step Wall: 11798, 0.00312299/step, 1.11612 hours remaining, 240.039062 MB of memory in use. ENERGY: 3713400 4040.5130 20487.7794 14425.7741 244.2968 -203463.9262 2535.5043 0.0000 0.0000 51910.4741 -109819.5845 298.3302 -161730.0586 -109465.5454 298.7925 -343.9730 -315.0156 762262.7570 3.3366 3.4993 PRESSURE: 3713600 -43.0145 30.8197 -172.512 30.8203 108.277 5.33128 -172.512 5.33074 -328.718 GPRESSURE: 3713600 22.1209 19.9825 -62.5951 -207.888 60.9468 66.4102 -263.201 8.73809 -261.445 PRESSAVG: 3713600 31.177 -31.7922 -42.8426 -31.7921 -8.97606 3.88211 -42.8427 3.8822 8.82199 GPRESSAVG: 3713600 31.7289 -34.2805 -43.4885 -27.8829 -8.30852 4.13161 -43.3552 2.4317 7.87038 TIMING: 3713600 CPU: 11798.6, 0.00313947/step Wall: 11798.6, 0.00313947/step, 1.12184 hours remaining, 240.039062 MB of memory in use. ENERGY: 3713600 4076.4794 20495.0342 14396.7877 230.9620 -203761.1919 2682.1018 0.0000 0.0000 52064.8413 -109814.9856 299.2174 -161879.8269 -109456.9632 298.5214 -87.8185 -59.4590 760630.4874 10.3410 10.4303 PRESSURE: 3713800 155.073 -53.663 -163.35 -53.6627 -49.2181 150.146 -163.349 150.146 290.818 GPRESSURE: 3713800 241.165 -118.485 -215.959 -12.3935 -1.44537 89.1144 -120.758 322.692 242.132 PRESSAVG: 3713800 -15.605 -43.847 -21.2553 -43.847 23.1346 -21.9938 -21.2552 -21.9937 -11.9344 GPRESSAVG: 3713800 -15.6691 -43.4045 -20.9539 -43.0004 22.189 -23.3487 -21.5398 -19.513 -11.468 TIMING: 3713800 CPU: 11799.3, 0.00315774/step Wall: 11799.3, 0.00315774/step, 1.12819 hours remaining, 240.039062 MB of memory in use. ENERGY: 3713800 3994.5538 20391.8925 14434.8582 250.6657 -203374.0957 2631.7036 0.0000 0.0000 52000.5563 -109669.8657 298.8479 -161670.4219 -109311.0161 298.9344 132.2242 160.6170 761040.9716 -1.4683 -1.6494 PRESSURE: 3714000 262.991 254.747 -44.0004 254.748 -414.202 8.71138 -44.0005 8.71206 -136.834 GPRESSURE: 3714000 204.752 315.279 -90.6003 251.165 -357.078 16.2632 14.9858 -17.2452 -67.595 PRESSAVG: 3714000 79.4845 -4.07125 -55.3094 -4.07121 -80.2475 -18.6441 -55.3095 -18.6441 -13.9133 GPRESSAVG: 3714000 78.3999 -2.21098 -55.3037 -5.52547 -79.2925 -18.3763 -52.1906 -18.8615 -13.7634 TIMING: 3714000 CPU: 11799.9, 0.00313594/step Wall: 11799.9, 0.00313595/step, 1.12023 hours remaining, 240.039062 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: 3714000 3993.0112 20485.1814 14377.8777 229.5367 -203505.6210 2538.8885 0.0000 0.0000 52032.8330 -109848.2925 299.0334 -161881.1256 -109482.6077 299.1688 -96.0151 -73.3073 760817.3807 -4.8921 -4.8853 PRESSURE: 3714200 -3.75826 -48.2963 -20.0434 -48.2959 142.768 51.0477 -20.0427 51.048 -136.115 GPRESSURE: 3714200 101.129 -10.1864 -98.4434 -89.4249 141.325 4.5531 -93.3466 -88.887 -151.309 PRESSAVG: 3714200 113.561 -43.0188 -33.1162 -43.0188 -75.8435 -24.0922 -33.1163 -24.0922 38.8942 GPRESSAVG: 3714200 113.616 -42.9454 -33.0119 -42.8274 -74.9565 -24.0354 -35.7891 -26.6866 37.6674 TIMING: 3714200 CPU: 11800.5, 0.00313047/step Wall: 11800.5, 0.00313047/step, 1.1181 hours remaining, 240.039062 MB of memory in use. ENERGY: 3714200 4140.2865 20447.7856 14473.2132 241.2523 -203333.9313 2390.0633 0.0000 0.0000 51610.3887 -110030.9417 296.6056 -161641.3304 -109677.1428 298.4773 0.9650 30.3816 762281.8609 25.5373 25.4423 PRESSURE: 3714400 -229.865 -3.03338 8.58083 -3.03272 35.4827 164.588 8.58107 164.588 471.764 GPRESSURE: 3714400 -46.5273 73.1796 -24.6551 81.6113 -3.25639 111.854 5.74234 55.7068 415.948 PRESSAVG: 3714400 -51.9762 15.2465 -5.72824 15.2465 54.4487 17.021 -5.7282 17.021 -9.05117 GPRESSAVG: 3714400 -50.2 15.7951 -5.60424 14.6564 53.5061 18.1825 -5.17838 18.8004 -9.69688 TIMING: 3714400 CPU: 11801.1, 0.00314385/step Wall: 11801.1, 0.00314385/step, 1.1227 hours remaining, 240.039062 MB of memory in use. ENERGY: 3714400 4087.3294 20359.3166 14455.0000 237.8246 -203876.2361 2735.1468 0.0000 0.0000 51980.6559 -110020.9628 298.7335 -162001.6187 -109660.3724 298.4291 92.4603 122.0549 759146.6138 -2.1929 -2.1302 PRESSURE: 3714600 1.23973 -47.3841 116.989 -47.3848 8.64062 90.057 116.99 90.057 -111.028 GPRESSURE: 3714600 88.6653 -14.9744 146.801 -84.4339 -52.1945 54.544 132.845 126.703 -66.2482 PRESSAVG: 3714600 31.6064 -48.968 5.4475 -48.968 -18.8483 13.1698 5.4475 13.1698 -0.0675676 GPRESSAVG: 3714600 30.1202 -49.9995 6.95551 -48.0123 -18.401 11.8633 4.13907 14.9489 0.790769 TIMING: 3714600 CPU: 11801.8, 0.00313264/step Wall: 11801.8, 0.00313264/step, 1.11853 hours remaining, 240.039062 MB of memory in use. ENERGY: 3714600 4025.4668 20425.9814 14361.7522 235.1624 -203260.1164 2386.3176 0.0000 0.0000 52066.6325 -109758.8035 299.2277 -161825.4361 -109389.6442 298.6353 -33.7158 -9.9258 761530.6937 4.2302 4.1700 PRESSURE: 3714800 -179.69 86.8799 -134.263 86.8801 -297.601 -139.217 -134.264 -139.218 -12.2811 GPRESSURE: 3714800 -244.285 19.0431 -152.487 23.0456 -223.466 -133.442 95.7656 -41.9097 60.4072 PRESSAVG: 3714800 48.1982 -53.033 46.0557 -53.033 -52.6203 -5.67007 46.0557 -5.67015 15.196 GPRESSAVG: 3714800 47.5272 -53.2586 45.8891 -52.9439 -52.7153 -4.77861 47.3701 -7.13378 16.0904 TIMING: 3714800 CPU: 11802.4, 0.00315061/step Wall: 11802.4, 0.00315061/step, 1.12477 hours remaining, 240.039062 MB of memory in use. ENERGY: 3714800 3970.1224 20570.1628 14336.3651 244.0892 -203007.2656 2084.2820 0.0000 0.0000 52057.6019 -109744.6421 299.1758 -161802.2439 -109375.4382 299.0142 -163.1909 -135.7810 761670.0700 3.5913 3.6341 PRESSURE: 3715000 295.693 52.2763 -80.4869 52.2777 -313.14 -13.1069 -80.4873 -13.1069 18.2608 GPRESSURE: 3715000 293.54 54.2323 -136.825 -21.7426 -220.708 35.41 -24.0399 -134.223 18.7221 PRESSAVG: 3715000 34.4001 -36.4026 12.831 -36.4026 -15.065 -26.975 12.8311 -26.9751 -24.6553 GPRESSAVG: 3715000 35.3265 -39.0836 11.6905 -35.9316 -15.978 -26.5479 11.62 -26.4647 -25.3974 TIMING: 3715000 CPU: 11803, 0.00316435/step Wall: 11803, 0.00316435/step, 1.1295 hours remaining, 240.039062 MB of memory in use. ENERGY: 3715000 4007.1003 20668.1605 14346.4601 258.1074 -203358.5420 2514.6622 0.0000 0.0000 51920.0637 -109643.9878 298.3853 -161564.0515 -109288.2995 299.2469 0.2713 30.5181 761820.9489 -1.7734 -2.0163 PRESSURE: 3715200 90.3255 28.3938 -74.5947 28.394 -96.8146 71.22 -74.5936 71.22 -18.1816 GPRESSURE: 3715200 141.641 84.6999 16.9987 112.097 -24.6806 -10.7297 -128.185 103.581 -63.1025 PRESSAVG: 3715200 -1.17717 -3.07057 21.608 -3.07056 -62.9186 13.2929 21.608 13.293 2.79742 GPRESSAVG: 3715200 -0.539236 0.161199 20.5985 -2.17051 -62.429 13.2604 23.6401 12.3164 1.89383 TIMING: 3715200 CPU: 11803.7, 0.00316419/step Wall: 11803.7, 0.00316419/step, 1.12926 hours remaining, 240.039062 MB of memory in use. ENERGY: 3715200 4026.1072 20605.5454 14397.0107 254.9464 -203482.6425 2632.1665 0.0000 0.0000 52088.0964 -109478.7699 299.3510 -161566.8663 -109123.6406 299.4638 -8.2235 17.9527 761477.4899 -20.4328 -20.3581 PRESSURE: 3715400 -166.464 -93.8736 -27.5352 -93.8725 2.48522 51.7186 -27.5363 51.7179 84.7676 GPRESSURE: 3715400 -167.513 -69.5917 30.5625 -214.581 89.2648 22.3962 -66.3452 35.942 90.5249 PRESSAVG: 3715400 67.8721 18.4991 20.7133 18.4991 -36.4438 -16.8089 20.7133 -16.809 -7.72489 GPRESSAVG: 3715400 67.5947 20.5241 21.8866 16.314 -36.3885 -16.6332 18.4882 -17.797 -7.58366 TIMING: 3715400 CPU: 11804.3, 0.00313956/step Wall: 11804.3, 0.00313956/step, 1.1203 hours remaining, 240.039062 MB of memory in use. ENERGY: 3715400 3940.8160 20582.4790 14380.9067 246.5434 -203576.5472 2658.1942 0.0000 0.0000 52266.3959 -109501.2121 300.3757 -161767.6079 -109134.1217 299.8837 -26.4038 4.0923 760802.1135 7.9011 7.8742 PRESSURE: 3715600 -31.6807 29.2335 -69.9438 29.2331 2.49423 104.892 -69.9427 104.891 -65.6133 GPRESSURE: 3715600 84.7054 79.6978 -4.23896 -62.4982 22.4573 119.918 -45.5291 92.2539 -97.3652 PRESSAVG: 3715600 -30.5958 -62.888 7.2717 -62.888 -15.0148 40.9254 7.27171 40.9255 -13.8515 GPRESSAVG: 3715600 -30.6668 -63.8634 6.30972 -62.4523 -15.6833 39.8831 6.33305 41.3431 -13.4591 TIMING: 3715600 CPU: 11804.9, 0.00311883/step Wall: 11804.9, 0.00311883/step, 1.11273 hours remaining, 240.039062 MB of memory in use. ENERGY: 3715600 3949.0171 20550.0606 14370.2416 239.4322 -203550.2180 2730.8023 0.0000 0.0000 52213.6339 -109497.0302 300.0725 -161710.6642 -109145.5588 299.6071 -31.5999 3.2658 760963.9570 -19.8207 -19.9364 PRESSURE: 3715800 110.015 -103.518 -232.873 -103.518 74.6858 48.533 -232.873 48.5333 -259.664 GPRESSURE: 3715800 98.0453 -96.8544 -235.87 -38.1267 149.339 -6.48315 -249.222 73.3128 -235.827 PRESSAVG: 3715800 -1.41329 -90.2676 16.0517 -90.2676 1.99068 -27.4984 16.0517 -27.4984 -13.0126 GPRESSAVG: 3715800 -0.892031 -93.2049 17.2185 -87.6529 2.28986 -26.664 18.5898 -26.474 -13.708 TIMING: 3715800 CPU: 11805.6, 0.00315117/step Wall: 11805.6, 0.00315117/step, 1.12409 hours remaining, 240.039062 MB of memory in use. ENERGY: 3715800 4021.5066 20634.7878 14397.3895 239.2276 -203469.8127 2542.4373 0.0000 0.0000 52230.7006 -109403.7634 300.1706 -161634.4640 -109046.3669 300.0132 -24.9876 3.8524 759985.9799 -4.1451 -4.1034 PRESSURE: 3716000 -75.9013 40.462 69.0818 40.462 177.129 17.5694 69.0816 17.569 19.7205 GPRESSURE: 3716000 57.2939 -45.2396 90.2095 -129.526 201.482 76.7691 55.0617 30.093 -43.9534 PRESSAVG: 3716000 51.4482 -40.9911 -6.96205 -40.991 -36.1693 -48.6383 -6.96199 -48.6383 -14.4293 GPRESSAVG: 3716000 52.1795 -39.746 -8.96787 -42.069 -37.6984 -49.7072 -9.51666 -47.943 -13.6075 TIMING: 3716000 CPU: 11806.2, 0.00314247/step Wall: 11806.2, 0.00314247/step, 1.12082 hours remaining, 240.039062 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: 3716000 3950.9818 20619.1891 14406.9055 226.6268 -203840.8936 2722.5977 0.0000 0.0000 52331.5157 -109583.0770 300.7499 -161914.5927 -109215.7088 300.0490 40.3161 71.6074 759540.2150 0.2832 0.2912 PRESSURE: 3716200 134.949 16.7269 -125.275 16.7273 -55.6293 -28.3332 -125.275 -28.3327 -18.5766 GPRESSURE: 3716200 125.224 -92.1 -136.664 50.7089 35.2882 -25.014 -179.64 41.1043 -2.84539 PRESSAVG: 3716200 103 -46.3662 -6.49475 -46.3662 -46.529 -43.4457 -6.49475 -43.4457 -14.56 GPRESSAVG: 3716200 101.387 -46.7829 -7.6408 -45.7777 -45.3029 -43.0354 -4.45978 -43.4718 -13.9796 TIMING: 3716200 CPU: 11806.8, 0.00317316/step Wall: 11806.8, 0.00317316/step, 1.13158 hours remaining, 240.039062 MB of memory in use. ENERGY: 3716200 4011.0327 20543.1587 14421.4668 239.4918 -203389.6090 2615.8944 0.0000 0.0000 52036.0895 -109522.4750 299.0521 -161558.5645 -109156.7681 299.6974 20.2479 52.5555 760959.1520 13.9702 14.0349 LDB: ============= START OF LOAD BALANCING ============== 11819.3 LDB: ============== END OF LOAD BALANCING =============== 11819.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819.3 LDB: ============= START OF LOAD BALANCING ============== 11819.6 LDB: Largest compute 7070 load 0.033816 is 17.3% of average load 0.195314 LDB: Average compute 0.004397 is 2.3% of average load 0.195314 LDB: TIME 11819.6 LOAD: AVG 0.195314 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 11819.6 LOAD: AVG 0.195314 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 11819.6 LOAD: AVG 0.195314 MAX 0.212969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 11819.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11819.6 PRESSURE: 3716400 -14.5751 -45.0818 -38.4916 -45.0808 -331.991 229.969 -38.4919 229.969 -44.764 GPRESSURE: 3716400 -102.363 13.2647 -17.1774 -19.546 -124.8 192.858 18.1446 149.32 -65.2016 PRESSAVG: 3716400 33.1019 -22.6479 -5.92362 -22.6479 -82.4629 7.94026 -5.92361 7.94018 -0.292949 GPRESSAVG: 3716400 33.0235 -20.996 -4.17551 -25.3613 -81.9835 9.5786 -7.29064 5.68171 -1.11939 TIMING: 3716400 CPU: 11807.5, 0.00320754/step Wall: 11807.5, 0.00320754/step, 1.14367 hours remaining, 241.320312 MB of memory in use. ENERGY: 3716400 3952.5207 20529.0245 14409.2924 257.5901 -203367.2795 2462.2219 0.0000 0.0000 52220.1647 -109536.4652 300.1100 -161756.6298 -109173.3932 299.3533 -130.4435 -97.4546 761996.3927 -16.5513 -16.6932 PRESSURE: 3716600 88.7524 1.92259 -155.543 1.92241 -259.427 216.832 -155.542 216.832 -238.11 GPRESSURE: 3716600 59.2643 -62.717 -156.459 -93.2026 -220.728 259.994 -87.848 177.909 -163.474 PRESSAVG: 3716600 22.025 -64.4233 14.3629 -64.4233 -17.3381 60.7361 14.3628 60.7361 19.3558 GPRESSAVG: 3716600 21.5133 -65.2123 13.9786 -63.8999 -18.0056 59.8884 14.3307 60.0993 19.6678 TIMING: 3716600 CPU: 11808.1, 0.0031502/step Wall: 11808.1, 0.0031502/step, 1.12305 hours remaining, 241.523438 MB of memory in use. ENERGY: 3716600 3984.3274 20537.1623 14406.0530 245.2865 -202817.1089 2160.2499 0.0000 0.0000 51769.9013 -109714.1285 297.5223 -161484.0298 -109341.7986 298.9433 -136.2615 -108.3126 760446.4187 8.0142 7.7252 PRESSURE: 3716800 -217.799 -107.006 144.41 -107.007 54.0132 -269.008 144.41 -269.008 170.136 GPRESSURE: 3716800 -164.954 -170.769 204.151 -103.467 97.3568 -246.092 49.0704 -193.473 144.89 PRESSAVG: 3716800 -7.32397 -18.1565 -2.51545 -18.1565 48.3841 -28.0691 -2.51549 -28.0691 -7.84439 GPRESSAVG: 3716800 -6.52711 -16.8632 -2.54426 -19.4217 48.045 -29.4966 -0.900929 -23.8881 -7.73016 TIMING: 3716800 CPU: 11808.7, 0.00316002/step Wall: 11808.7, 0.00316002/step, 1.12637 hours remaining, 241.523438 MB of memory in use. ENERGY: 3716800 3963.0004 20409.8383 14364.6821 249.0230 -203383.0134 2528.4623 0.0000 0.0000 52074.9913 -109793.0160 299.2757 -161868.0073 -109431.2689 298.5665 2.1168 25.7641 760001.0967 11.0719 11.2626 PRESSURE: 3717000 19.6458 -227.746 107.498 -227.746 105.604 62.8557 107.498 62.8568 -147.801 GPRESSURE: 3717000 -11.1914 -141.457 140.289 -204.014 226.25 28.1781 79.751 -46.8102 -141.039 PRESSAVG: 3717000 -11.7726 -6.16509 70.0375 -6.16514 -18.4824 48.462 70.0376 48.462 -10.7977 GPRESSAVG: 3717000 -12.25 -5.5382 69.5146 -6.65106 -18.2029 48.8464 69.3821 44.9681 -10.6645 TIMING: 3717000 CPU: 11809.3, 0.00316009/step Wall: 11809.3, 0.00316009/step, 1.12622 hours remaining, 241.523438 MB of memory in use. ENERGY: 3717000 3977.5615 20618.0488 14427.5058 248.3140 -203118.7179 2326.7698 0.0000 0.0000 51943.0706 -109577.4474 298.5175 -161520.5180 -109219.4212 298.6099 -7.5173 24.6732 761605.9614 -13.6842 -13.7058 PRESSURE: 3717200 12.0532 -116.708 -195.468 -116.709 -216.528 -3.31709 -195.468 -3.31624 94.7366 GPRESSURE: 3717200 63.3942 -69.1454 -208.178 -38.0893 -138.166 0.975514 -173.96 73.3061 52.6844 PRESSAVG: 3717200 23.8474 -12.5208 2.83991 -12.5208 -50.0923 -10.8895 2.83993 -10.8895 3.0575 GPRESSAVG: 3717200 24.3782 -10.4559 4.76502 -11.8194 -49.0969 -10.4781 1.92548 -10.9327 1.57066 TIMING: 3717200 CPU: 11810, 0.00314128/step Wall: 11810, 0.00314128/step, 1.11934 hours remaining, 241.523438 MB of memory in use. ENERGY: 3717200 3965.8186 20647.1670 14331.0772 247.2090 -203123.8944 2231.6966 0.0000 0.0000 52080.8252 -109620.1007 299.3092 -161700.9259 -109255.6060 299.6766 -36.5792 -7.3625 761047.1006 -7.7291 -7.7160 PRESSURE: 3717400 -202.751 -146.71 -287.749 -146.71 -234.758 -56.9385 -287.749 -56.9396 -613.37 GPRESSURE: 3717400 -238.483 -98.2235 -244.395 -245.86 -179.169 -0.193337 -228.485 -234.751 -567.057 PRESSAVG: 3717400 47.9123 -3.57316 41.3729 -3.57316 4.79722 51.4406 41.3729 51.4405 4.40107 GPRESSAVG: 3717400 48.0147 -6.05775 39.7449 -4.15175 4.55735 50.2777 41.647 51.0394 4.74156 TIMING: 3717400 CPU: 11810.6, 0.0031439/step Wall: 11810.6, 0.0031439/step, 1.1201 hours remaining, 241.523438 MB of memory in use. ENERGY: 3717400 4021.7945 20596.2288 14427.6060 256.9289 -203312.3933 2282.8136 0.0000 0.0000 52194.7581 -109532.2634 299.9640 -161727.0215 -109165.6159 299.3951 -350.2927 -328.2363 760836.1940 19.0369 19.1045 PRESSURE: 3717600 -62.1398 178.274 209.932 178.273 -152.458 101.706 209.932 101.705 70.0192 GPRESSURE: 3717600 36.5208 91.4162 192.45 239.461 -140.421 185.516 229.706 102.311 44.8484 PRESSAVG: 3717600 47.1394 -49.7312 -6.38901 -49.7312 -19.4775 61.8703 -6.38899 61.8703 -17.5425 GPRESSAVG: 3717600 47.2674 -51.5265 -6.08307 -46.6017 -20.2819 62.8115 -6.15715 63.2748 -16.9916 TIMING: 3717600 CPU: 11811.2, 0.0031497/step Wall: 11811.2, 0.00314969/step, 1.12199 hours remaining, 241.523438 MB of memory in use. ENERGY: 3717600 3999.4164 20382.6767 14443.0654 270.5425 -203093.0594 2340.7098 0.0000 0.0000 52039.0927 -109617.5558 299.0694 -161656.6485 -109251.8694 299.5500 -48.1928 -19.6839 760838.8776 3.3731 3.3313 PRESSURE: 3717800 9.38535 -9.06059 -39.4086 -9.05952 -161.012 -16.7558 -39.409 -16.7549 -156.941 GPRESSURE: 3717800 80.6866 -31.0438 -4.29089 -55.7983 -72.6884 23.7706 -50.7241 -22.3506 -219.371 PRESSAVG: 3717800 50.4667 6.82672 8.7952 6.82676 -5.88528 11.6252 8.79514 11.6252 -26.2497 GPRESSAVG: 3717800 49.7396 6.27319 7.65795 6.18134 -4.19747 10.686 8.45036 9.92014 -26.8847 TIMING: 3717800 CPU: 11811.9, 0.00315708/step Wall: 11811.9, 0.00315708/step, 1.12445 hours remaining, 241.523438 MB of memory in use. ENERGY: 3717800 4062.3788 20499.9679 14519.2661 251.2175 -203181.1913 2477.9354 0.0000 0.0000 52011.8497 -109358.5759 298.9128 -161370.4256 -109001.0588 299.6220 -102.8560 -70.4575 761043.2700 6.1106 6.2191 PRESSURE: 3718000 -74.7169 -51.3369 -175.796 -51.3372 -52.6815 36.6402 -175.796 36.6417 -216.998 GPRESSURE: 3718000 -63.8773 -14.8806 -191.56 -89.8438 -35.5707 5.04286 -28.5081 78.1066 -157.161 PRESSAVG: 3718000 5.62716 -13.3065 17.3859 -13.3065 -15.2332 39.3675 17.3858 39.3675 -1.74697 GPRESSAVG: 3718000 6.87186 -11.5901 18.7027 -15.2607 -17.5814 38.4702 18.6703 39.7361 -0.847173 TIMING: 3718000 CPU: 11812.5, 0.00317353/step Wall: 11812.5, 0.00317353/step, 1.13013 hours remaining, 241.523438 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: 3718000 4072.2735 20555.1498 14430.9571 260.1053 -203189.0788 2263.9701 0.0000 0.0000 52222.3659 -109384.2572 300.1227 -161606.6231 -109011.9067 300.0378 -114.7989 -85.5363 761601.3139 -3.7843 -3.8522 PRESSURE: 3718200 122.618 227.378 143.419 227.377 -260.273 -153.055 143.42 -153.054 -280.246 GPRESSURE: 3718200 50.6222 160.583 188.696 191.364 -182.282 -135.62 261.703 -245.111 -197.702 PRESSAVG: 3718200 47.6011 -0.529467 -10.0642 -0.529508 -54.2255 -31.7284 -10.0642 -31.7285 17.3974 GPRESSAVG: 3718200 46.0564 -1.43976 -10.7931 0.217299 -53.3646 -30.3549 -11.8172 -30.991 17.5652 TIMING: 3718200 CPU: 11813.1, 0.00316565/step Wall: 11813.1, 0.00316565/step, 1.12715 hours remaining, 241.523438 MB of memory in use. ENERGY: 3718200 3992.6520 20403.9863 14444.6464 259.3629 -203060.8453 2534.5465 0.0000 0.0000 51923.9041 -109501.7471 298.4074 -161425.6512 -109131.2337 299.3279 -139.3002 -109.7873 759915.0110 3.5910 3.4190 PRESSURE: 3718400 2.44057 -111.446 -35.477 -111.446 -101.472 -18.9788 -35.476 -18.9797 46.3961 GPRESSURE: 3718400 25.4746 -189.041 -59.6675 -155.468 -86.545 -42.1243 -59.0914 -83.1336 95.1632 PRESSAVG: 3718400 101.009 -30.1543 78.1933 -30.1542 -68.3456 -31.9941 78.1933 -31.9942 3.38459 GPRESSAVG: 3718400 102.307 -33.1557 78.9361 -26.6761 -68.4231 -33.8645 79.8334 -31.8379 2.53263 TIMING: 3718400 CPU: 11813.8, 0.00316353/step Wall: 11813.8, 0.00316353/step, 1.12622 hours remaining, 241.523438 MB of memory in use. ENERGY: 3718400 4020.4093 20540.8821 14435.5898 251.6896 -203281.7998 2570.1434 0.0000 0.0000 52028.1799 -109434.9057 299.0067 -161463.0856 -109071.6233 299.5585 -17.5450 11.3643 761326.7119 12.0159 12.1389 PRESSURE: 3718600 -71.2033 137.278 150.902 137.277 53.3927 -247.866 150.902 -247.865 -409.492 GPRESSURE: 3718600 -15.8988 157.609 175.251 162.951 16.038 -239.636 193.123 -174.566 -341.737 PRESSAVG: 3718600 28.4276 -8.55895 4.87396 -8.55893 6.04282 -65.35 4.87388 -65.35 34.007 GPRESSAVG: 3718600 27.6759 -6.5162 6.90366 -14.5337 4.88079 -63.3468 4.46192 -64.0055 36.0931 TIMING: 3718600 CPU: 11814.4, 0.00314049/step Wall: 11814.4, 0.00314049/step, 1.11784 hours remaining, 241.523438 MB of memory in use. ENERGY: 3718600 4003.3343 20361.8437 14482.5379 240.3045 -203116.2838 2516.1798 0.0000 0.0000 52254.0875 -109257.9960 300.3050 -161512.0836 -108894.9456 299.8416 -142.4341 -113.8658 760960.3159 22.8258 22.8833 PRESSURE: 3718800 -64.7073 47.8891 26.7234 47.8883 -171.792 -34.7547 26.7239 -34.7546 15.9798 GPRESSURE: 3718800 22.9314 40.2209 61.7273 6.50024 -279.262 13.4915 -51.3955 -171.604 80.7109 PRESSAVG: 3718800 48.3559 -69.3736 42.4277 -69.3737 -34.0252 -55.2765 42.4277 -55.2765 1.77756 GPRESSAVG: 3718800 48.6904 -69.3596 41.32 -66.6312 -33.0549 -53.8727 40.0581 -57.3265 0.157962 TIMING: 3718800 CPU: 11815, 0.00315062/step Wall: 11815, 0.00315062/step, 1.12127 hours remaining, 241.523438 MB of memory in use. ENERGY: 3718800 3988.3546 20480.1744 14527.6346 240.4970 -202789.5108 2127.1264 0.0000 0.0000 51856.1034 -109569.6203 298.0177 -161425.7237 -109210.1453 299.4472 -73.5065 -58.5400 762547.8633 5.3694 5.2645 PRESSURE: 3719000 -122.996 69.9636 1.49763 69.9639 174.056 -131.625 1.49598 -131.624 519.118 GPRESSURE: 3719000 -8.42883 -55.5507 4.00187 -24.6922 186.702 -66.9935 -92.7399 -90.7542 488.453 PRESSAVG: 3719000 21.1029 13.8975 -5.29747 13.8976 -34.1724 -24.7514 -5.29749 -24.7514 10.0151 GPRESSAVG: 3719000 21.5063 13.7302 -4.82892 13.8775 -34.42 -25.2556 -5.97296 -23.7391 10.1711 TIMING: 3719000 CPU: 11815.7, 0.00317256/step Wall: 11815.7, 0.00317256/step, 1.1289 hours remaining, 241.523438 MB of memory in use. ENERGY: 3719000 4055.1848 20329.5108 14350.5099 246.9176 -203307.9565 2821.0354 0.0000 0.0000 51921.1655 -109583.6326 298.3917 -161504.7981 -109223.2606 299.3938 190.0593 222.2421 761288.0031 -1.0181 -0.9142 PRESSURE: 3719200 196.84 -361.946 -39.952 -361.946 -138.63 76.4292 -39.952 76.4295 289.78 GPRESSURE: 3719200 248.271 -363.838 -100.637 -142.669 -118.155 179.185 24.9418 61.2843 306.21 PRESSAVG: 3719200 41.6077 -11.5115 -43.6341 -11.5115 -59.9899 18.6663 -43.6341 18.6662 12.3511 GPRESSAVG: 3719200 40.6408 -9.3159 -45.9753 -11.7642 -58.729 18.8942 -41.0764 17.5534 11.8795 TIMING: 3719200 CPU: 11816.3, 0.00317554/step Wall: 11816.3, 0.00317554/step, 1.12979 hours remaining, 241.523438 MB of memory in use. ENERGY: 3719200 4046.0530 20410.8759 14404.2432 230.9509 -202965.3705 2369.2447 0.0000 0.0000 52001.0475 -109502.9553 298.8507 -161504.0027 -109140.9610 298.9604 115.9965 145.4419 760089.6206 -2.0104 -2.0696 PRESSURE: 3719400 199.944 -251.617 -252.628 -251.617 -57.7974 74.5026 -252.627 74.5036 175.967 GPRESSURE: 3719400 239.524 -135.083 -165.375 -135.445 14.0444 20.2242 -106.773 146.679 138.677 PRESSAVG: 3719400 77.3533 -19.066 7.64874 -19.066 -34.3529 38.2504 7.64874 38.2504 -6.93349 GPRESSAVG: 3719400 78.5093 -20.7359 9.29367 -16.2462 -35.0184 35.6796 6.36246 39.5888 -7.21264 TIMING: 3719400 CPU: 11816.9, 0.00317592/step Wall: 11816.9, 0.00317592/step, 1.12974 hours remaining, 241.523438 MB of memory in use. ENERGY: 3719400 3928.5714 20487.9420 14432.3641 262.4695 -203307.1098 2547.1769 0.0000 0.0000 52157.5248 -109491.0609 299.7500 -161648.5858 -109128.6939 299.2742 106.0378 130.7483 761572.7763 12.0223 12.0928 PRESSURE: 3719600 116.439 155.777 125.176 155.777 -216.298 116.756 125.177 116.755 -551.365 GPRESSURE: 3719600 51.6887 176.822 12.2929 57.7555 -139.29 100.057 161.555 6.3407 -479.613 PRESSAVG: 3719600 52.1851 28.4996 -4.95139 28.4996 -31.0131 7.97699 -4.95137 7.97699 5.27766 GPRESSAVG: 3719600 51.0956 28.1542 -5.03297 24.8733 -31.7725 8.35333 -3.72169 7.16179 7.10397 TIMING: 3719600 CPU: 11817.6, 0.00316999/step Wall: 11817.6, 0.00316999/step, 1.12746 hours remaining, 241.523438 MB of memory in use. ENERGY: 3719600 4080.9961 20396.3780 14392.8844 264.8894 -202720.4855 2285.5203 0.0000 0.0000 51961.4329 -109338.3844 298.6231 -161299.8173 -108978.1506 299.2978 -217.0748 -189.0715 761083.4680 8.8166 8.8090 PRESSURE: 3719800 -4.40341 -65.6936 -17.6958 -65.6948 -177.722 -97.208 -17.6947 -97.2079 323.758 GPRESSURE: 3719800 111.377 75.4591 -44.32 -4.54897 -131.76 -90.0985 -51.0393 100.905 275.174 PRESSAVG: 3719800 42.0918 -49.4751 11.6685 -49.4751 -23.9879 -3.03954 11.6686 -3.0395 -18.6212 GPRESSAVG: 3719800 42.839 -47.3122 12.0416 -47.5165 -23.4959 -1.71746 11.0168 -3.7357 -20.5787 TIMING: 3719800 CPU: 11818.2, 0.00316527/step Wall: 11818.2, 0.00316527/step, 1.1256 hours remaining, 241.523438 MB of memory in use. ENERGY: 3719800 3967.2375 20379.5729 14424.5339 244.0095 -202978.2119 2422.0966 0.0000 0.0000 52230.7860 -109309.9755 300.1710 -161540.7615 -108941.0318 299.6023 47.2108 84.9303 761139.0597 -0.1724 -0.4119 PRESSURE: 3720000 152.703 45.3369 -354.094 45.3371 184.606 -168.707 -354.094 -168.708 -153.954 GPRESSURE: 3720000 144.332 -2.11167 -240.533 72.0504 271.98 -196.276 -282.765 -6.99865 -150.508 PRESSAVG: 3720000 37.2219 -11.9901 -71.5729 -11.9901 -14.5723 -44.4378 -71.5729 -44.4378 -21.281 GPRESSAVG: 3720000 35.5893 -14.4743 -72.1855 -11.381 -12.683 -44.1438 -70.2793 -43.4256 -20.9235 TIMING: 3720000 CPU: 11818.8, 0.00315251/step Wall: 11818.8, 0.00315251/step, 1.12089 hours remaining, 241.523438 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: 3720000 3964.4249 20311.2815 14395.1979 257.6884 -203007.8612 2471.5395 0.0000 0.0000 52296.7839 -109310.9451 300.5503 -161607.7290 -108929.7043 299.4263 61.1183 88.6012 759966.3114 0.4562 0.6609 PRESSURE: 3720200 -221.221 -37.3838 -77.0755 -37.3842 -543.318 28.3751 -77.0769 28.3757 -456.059 GPRESSURE: 3720200 -210.109 -179.887 -70.0897 -4.18392 -482.527 24.8009 -125.618 12.4282 -437.449 PRESSAVG: 3720200 44.8909 -27.1729 -20.7914 -27.173 -91.2001 -19.9707 -20.7915 -19.9708 13.7546 GPRESSAVG: 3720200 46.8121 -26.883 -20.0337 -26.866 -92.0767 -21.3407 -22.7087 -19.4279 13.1739 TIMING: 3720200 CPU: 11819.5, 0.00315527/step Wall: 11819.5, 0.00315527/step, 1.1217 hours remaining, 241.523438 MB of memory in use. ENERGY: 3720200 4027.7124 20477.4660 14430.1012 241.4475 -202701.6465 2108.4334 0.0000 0.0000 52100.8719 -109315.6141 299.4244 -161416.4860 -108943.3438 299.7621 -406.8660 -376.6951 762071.3612 -10.8515 -10.6969 LDB: ============= START OF LOAD BALANCING ============== 11831.9 LDB: ============== END OF LOAD BALANCING =============== 11831.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11831.9 LDB: ============= START OF LOAD BALANCING ============== 11832.2 LDB: Largest compute 7070 load 0.033443 is 17.1% of average load 0.195283 LDB: Average compute 0.004397 is 2.3% of average load 0.195283 LDB: TIME 11832.2 LOAD: AVG 0.195283 MAX 0.213825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 11832.2 LOAD: AVG 0.195283 MAX 0.213825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 11832.2 LOAD: AVG 0.195283 MAX 0.213825 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 11832.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11832.2 PRESSURE: 3720400 -45.1467 169.354 26.8847 169.354 -63.0378 40.8787 26.885 40.8784 -97.6511 GPRESSURE: 3720400 12.5601 199.721 63.4096 256.436 -58.3862 25.6255 -26.3057 148.221 -58.5176 PRESSAVG: 3720400 78.3539 5.74672 -4.50385 5.74669 -78.2364 -13.5567 -4.50384 -13.5567 2.38026 GPRESSAVG: 3720400 78.8088 6.98385 -4.27516 3.34201 -80.1293 -13.8093 -4.46556 -14.6538 4.38952 TIMING: 3720400 CPU: 11820.1, 0.00320684/step Wall: 11820.1, 0.00320684/step, 1.13985 hours remaining, 240.039062 MB of memory in use. ENERGY: 3720400 3963.1661 20570.1937 14425.2831 259.1693 -202989.9813 2722.5933 0.0000 0.0000 52092.1031 -108957.4726 299.3740 -161049.5758 -108592.8240 300.1832 -68.6119 -34.7812 761991.8897 0.8326 1.0230 PRESSURE: 3720600 -128.697 -8.78229 130.338 -8.78285 -55.6024 -48.5609 130.338 -48.5611 158.249 GPRESSURE: 3720600 -130.305 38.5498 61.1399 -49.6401 61.4985 -124.617 167.659 -88.6211 128.478 PRESSAVG: 3720600 30.129 -46.2416 -5.49315 -46.2417 -47.9918 -53.8884 -5.49315 -53.8884 -5.43411 GPRESSAVG: 3720600 30.1475 -47.8669 -5.8127 -44.1561 -46.7291 -54.0825 -4.3854 -52.586 -6.83449 TIMING: 3720600 CPU: 11820.7, 0.00314601/step Wall: 11820.7, 0.00314601/step, 1.11806 hours remaining, 240.039062 MB of memory in use. ENERGY: 3720600 3966.8155 20568.9743 14461.4806 255.5199 -203515.3007 2906.6682 0.0000 0.0000 52428.0185 -108927.8237 301.3045 -161355.8422 -108562.8168 300.8672 -8.6835 19.8906 762246.0651 -7.7656 -7.8053 PRESSURE: 3720800 -170.241 -1.66657 12.5754 -1.66619 171.528 -197.976 12.576 -197.975 43.1784 GPRESSURE: 3720800 -197.041 49.9118 86.3126 -106.093 261.273 -220.621 43.62 -85.8483 63.6019 PRESSAVG: 3720800 18.0356 -51.1857 30.1576 -51.1857 -31.2256 -29.2734 30.1576 -29.2734 2.62796 GPRESSAVG: 3720800 16.9392 -48.502 30.6198 -53.9847 -29.8905 -27.9182 31.1001 -28.8277 2.05566 TIMING: 3720800 CPU: 11821.4, 0.00318693/step Wall: 11821.4, 0.00318693/step, 1.13242 hours remaining, 240.039062 MB of memory in use. ENERGY: 3720800 3940.1597 20695.0106 14467.9529 231.3060 -202860.9117 2509.1865 0.0000 0.0000 52054.3013 -108962.9948 299.1568 -161017.2960 -108607.7721 300.2623 14.8216 42.6115 761870.2601 -3.5207 -3.6319 PRESSURE: 3721000 163.014 -271.599 -18.3384 -271.6 -356.418 45.2858 -18.3378 45.2854 -62.7859 GPRESSURE: 3721000 247.072 -367.92 4.01316 -225.32 -365.105 81.023 52.0874 20.849 -42.63 PRESSAVG: 3721000 13.0169 -29.6794 -12.4358 -29.6793 -26.218 -25.0051 -12.4358 -25.005 12.4237 GPRESSAVG: 3721000 14.0042 -31.973 -12.386 -27.5733 -27.6809 -24.5321 -13.5103 -27.257 13.0155 TIMING: 3721000 CPU: 11822, 0.00319123/step Wall: 11822, 0.00319123/step, 1.13377 hours remaining, 240.039062 MB of memory in use. ENERGY: 3721000 4123.8278 20603.3045 14407.1025 245.0127 -202842.6189 2355.9313 0.0000 0.0000 52188.2344 -108919.2057 299.9265 -161107.4401 -108559.3299 300.1581 -85.3966 -53.5542 763368.2775 -0.2591 -0.2204 PRESSURE: 3721200 -100.157 -193.701 258.956 -193.702 -360.225 22.0876 258.956 22.0875 -171.002 GPRESSURE: 3721200 -74.3197 -198.552 210.766 -163.28 -255.266 -12.705 101.398 43.5104 -205.412 PRESSAVG: 3721200 71.4586 -47.5755 28.161 -47.5755 -46.0104 3.68442 28.161 3.68444 0.585501 GPRESSAVG: 3721200 70.2628 -47.7001 26.9534 -48.0811 -45.7235 2.69838 27.5801 2.86574 1.69706 TIMING: 3721200 CPU: 11822.6, 0.00316146/step Wall: 11822.6, 0.00316146/step, 1.12302 hours remaining, 240.039062 MB of memory in use. ENERGY: 3721200 4029.0324 20421.2771 14454.4994 233.5598 -203037.6312 2461.2518 0.0000 0.0000 52440.8423 -108997.1684 301.3782 -161438.0107 -108623.6993 300.4172 -210.4612 -178.3325 763651.1637 8.6779 8.7455 PRESSURE: 3721400 -15.0154 -206.094 -22.5278 -206.093 -57.8275 -22.3597 -22.5275 -22.3589 106.599 GPRESSURE: 3721400 -64.6699 -83.5607 90.5912 -179.61 30.1585 -5.53295 -77.5856 -40.1277 151.794 PRESSAVG: 3721400 21.5935 -61.8786 15.5707 -61.8786 -58.9052 3.59127 15.5707 3.59123 -0.00236164 GPRESSAVG: 3721400 21.7968 -61.5373 16.4666 -60.388 -58.6005 4.76197 15.9769 3.8154 -0.888489 TIMING: 3721400 CPU: 11823.3, 0.00315128/step Wall: 11823.3, 0.00315128/step, 1.11923 hours remaining, 240.039062 MB of memory in use. ENERGY: 3721400 3911.8998 20554.0203 14422.8337 235.4156 -202791.1182 2251.6245 0.0000 0.0000 52265.5880 -109149.7363 300.3711 -161415.3243 -108783.2137 300.0817 11.2519 39.0940 762458.7770 -12.4380 -12.5641 PRESSURE: 3721600 -89.6291 188.621 -147.62 188.621 -170.839 312.648 -147.62 312.648 526.264 GPRESSURE: 3721600 13.0731 182.17 -197.326 110.406 -140.557 296.965 14.7244 295.841 488.731 PRESSAVG: 3721600 55.9017 -52.6421 20.4358 -52.642 -6.72237 -35.2018 20.4359 -35.2017 -15.4944 GPRESSAVG: 3721600 55.5607 -50.1101 19.6994 -55.564 -6.0592 -36.0749 21.4948 -32.2468 -15.758 TIMING: 3721600 CPU: 11823.9, 0.00315274/step Wall: 11823.9, 0.00315274/step, 1.11957 hours remaining, 240.039062 MB of memory in use. ENERGY: 3721600 3944.8178 20559.7260 14419.7659 253.3574 -203135.9732 2581.5021 0.0000 0.0000 52106.0795 -109270.7247 299.4544 -161376.8042 -108908.3922 299.8740 88.5988 120.4158 762137.2538 11.2283 11.2478 PRESSURE: 3721800 -45.3309 33.3382 148.028 33.3393 -210.421 -119.177 148.028 -119.177 21.204 GPRESSURE: 3721800 7.00051 55.7317 312.988 -49.9403 -161.623 -172.436 227.525 -67.1536 6.26446 PRESSAVG: 3721800 47.1073 -17.4938 43.6809 -17.4938 -52.5021 41.5352 43.6807 41.5351 10.8971 GPRESSAVG: 3721800 47.9717 -20.366 43.8608 -16.8254 -53.1574 41.2232 42.0901 37.5608 10.1768 TIMING: 3721800 CPU: 11824.5, 0.00316878/step Wall: 11824.5, 0.00316878/step, 1.12509 hours remaining, 240.039062 MB of memory in use. ENERGY: 3721800 3989.1394 20519.6976 14418.9610 240.7634 -203192.8512 2518.9341 0.0000 0.0000 52289.9231 -109215.4326 300.5109 -161505.3557 -108848.9072 299.7060 -78.1826 -49.4527 763162.4218 1.8341 1.6637 PRESSURE: 3722000 191.013 -180.498 -38.98 -180.498 2.50221 -448.55 -38.9798 -448.55 72.3823 GPRESSURE: 3722000 231.155 -270.084 6.56847 -162.465 81.3714 -483.927 -65.1831 -379.247 18.4466 PRESSAVG: 3722000 9.17908 -10.8649 70.3884 -10.865 -46.8825 -37.9531 70.3883 -37.9532 -5.73083 GPRESSAVG: 3722000 9.3471 -8.73239 71.8354 -12.6192 -47.4319 -38.1515 71.7375 -35.2964 -5.44752 TIMING: 3722000 CPU: 11825.2, 0.00317882/step Wall: 11825.2, 0.00317882/step, 1.12848 hours remaining, 240.039062 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: 3722000 4002.5705 20391.7492 14424.9484 274.4416 -203043.9496 2569.9207 0.0000 0.0000 52449.4301 -108930.8892 301.4276 -161380.3193 -108568.4114 300.2453 88.6326 110.3243 762658.6304 -14.4781 -14.5108 PRESSURE: 3722200 309.212 -187.963 33.1755 -187.962 -182.904 -125.775 33.1749 -125.774 -26.2697 GPRESSURE: 3722200 326.855 -143.513 51.3454 -123.964 -129.418 -29.9922 -5.47519 -109.164 -10.9017 PRESSAVG: 3722200 69.5568 -43.8244 -9.57395 -43.8244 -34.9998 -14.2662 -9.57404 -14.2663 -16.1801 GPRESSAVG: 3722200 69.4629 -45.6237 -11.9024 -40.7967 -35.947 -14.3531 -11.7028 -14.1659 -15.2228 TIMING: 3722200 CPU: 11825.8, 0.00316377/step Wall: 11825.8, 0.00316377/step, 1.12296 hours remaining, 240.039062 MB of memory in use. ENERGY: 3722200 3961.7492 20448.6438 14433.1935 241.9757 -202912.7195 2605.3981 0.0000 0.0000 52233.1708 -108988.5884 300.1848 -161221.7592 -108608.9847 300.1981 33.3462 62.1783 763259.7197 6.1257 6.0977 PRESSURE: 3722400 -113.436 -25.7677 101.51 -25.7678 -12.7388 -132.347 101.51 -132.347 -193.399 GPRESSURE: 3722400 -95.1138 -45.4709 46.4401 -154.902 -94.6321 -147.795 94.0071 -150.417 -42.9049 PRESSAVG: 3722400 44.158 -25.2659 48.3682 -25.2659 -80.654 -32.8839 48.3683 -32.8839 6.82183 GPRESSAVG: 3722400 43.0744 -23.6175 47.7566 -27.406 -80.4311 -31.5697 50.867 -34.5844 7.73963 TIMING: 3722400 CPU: 11826.4, 0.00315307/step Wall: 11826.4, 0.00315307/step, 1.11899 hours remaining, 240.039062 MB of memory in use. ENERGY: 3722400 3975.0266 20604.3084 14459.3447 232.0805 -203061.6704 2564.8827 0.0000 0.0000 52165.1738 -109060.8537 299.7940 -161226.0275 -108703.3185 300.3665 -106.5245 -77.5503 763018.5304 -9.8914 -9.8724 PRESSURE: 3722600 113.818 188.793 -45.1451 188.794 353.391 37.9935 -45.1451 37.9933 -72.3818 GPRESSURE: 3722600 206.81 129.526 -15.8278 268.366 351.268 -8.2385 -81.3563 -85.1315 -68.826 PRESSAVG: 3722600 39.1897 34.9045 -29.687 34.9046 -22.8273 -29.7448 -29.687 -29.7448 19.8022 GPRESSAVG: 3722600 40.9628 32.3673 -30.3156 37.4093 -23.0902 -31.4646 -29.844 -27.9046 18.7847 TIMING: 3722600 CPU: 11827.1, 0.00316517/step Wall: 11827.1, 0.00316517/step, 1.12311 hours remaining, 240.039062 MB of memory in use. ENERGY: 3722600 4035.8230 20445.5836 14423.7497 242.3059 -203441.2509 2775.9717 0.0000 0.0000 52377.6773 -109140.1396 301.0152 -161517.8169 -108773.4951 300.1210 131.6089 163.0838 762521.4620 12.0549 12.2191 PRESSURE: 3722800 217.98 14.2683 -90.9693 14.2681 -75.8353 5.11733 -90.9686 5.11678 -8.70698 GPRESSURE: 3722800 182.177 112.554 -84.9358 2.00721 6.67787 0.87187 -149.568 125.254 -1.93187 PRESSAVG: 3722800 -18.0044 6.48773 4.02437 6.48769 5.72236 -39.9044 4.02431 -39.9044 -15.8067 GPRESSAVG: 3722800 -18.6041 8.57853 5.46873 6.47056 5.80293 -39.0768 4.38006 -41.04 -15.3054 TIMING: 3722800 CPU: 11827.7, 0.00314994/step Wall: 11827.7, 0.00314994/step, 1.11753 hours remaining, 240.039062 MB of memory in use. ENERGY: 3722800 4072.9967 20617.2101 14459.3783 252.1533 -203183.0774 2423.8173 0.0000 0.0000 52141.9376 -109215.5841 299.6604 -161357.5217 -108861.1880 300.2156 44.4793 62.3078 761595.5569 -9.3629 -9.3689 PRESSURE: 3723000 165.249 -108.579 27.555 -108.58 148.762 -26.2973 27.5559 -26.2965 471.727 GPRESSURE: 3723000 206.241 -187.329 38.0902 -150.983 219.441 43.2953 12.2234 15.7706 426.339 PRESSAVG: 3723000 1.70834 -0.36656 -22.6209 -0.366569 14.9693 31.6861 -22.6209 31.6861 3.15172 GPRESSAVG: 3723000 2.21837 -2.01236 -21.8387 -1.29131 16.0618 32.3555 -23.4677 32.9502 1.33088 TIMING: 3723000 CPU: 11828.3, 0.00315251/step Wall: 11828.3, 0.00315251/step, 1.11827 hours remaining, 240.039062 MB of memory in use. ENERGY: 3723000 3944.1563 20505.4575 14343.8855 257.3282 -203413.2109 2749.7997 0.0000 0.0000 52272.0623 -109340.5213 300.4083 -161612.5836 -108972.9956 299.5939 261.9126 284.0071 760695.0057 6.6098 6.5370 PRESSURE: 3723200 306.181 37.1112 -155.891 37.1119 201.869 -47.4189 -155.891 -47.4185 251.526 GPRESSURE: 3723200 344.682 -15.5448 -100.059 -5.17039 290.223 -79.2521 -207.437 -104.564 202.699 PRESSAVG: 3723200 1.50861 -1.56907 -45.9222 -1.56905 -29.4946 51.2845 -45.9223 51.2845 13.8291 GPRESSAVG: 3723200 0.362365 -0.460453 -44.7334 -2.1923 -29.0726 50.7483 -46.676 52.8368 13.978 TIMING: 3723200 CPU: 11829, 0.00315113/step Wall: 11829, 0.00315113/step, 1.1176 hours remaining, 240.039062 MB of memory in use. ENERGY: 3723200 3943.6529 20576.0436 14403.0318 249.0836 -203566.2224 2592.6275 0.0000 0.0000 52250.2480 -109551.5350 300.2829 -161801.7830 -109188.0411 299.6117 253.1921 279.2015 758439.4698 -4.7189 -4.9107 PRESSURE: 3723400 -182.55 85.6819 215.611 85.6815 -243.275 181.899 215.611 181.898 294.179 GPRESSURE: 3723400 -154.406 29.3179 158.003 30.6206 -140.269 169.513 349.927 184.431 273.761 PRESSAVG: 3723400 2.61778 25.9378 24.2934 25.9378 0.328913 5.46524 24.2934 5.46517 4.40508 GPRESSAVG: 3723400 2.90268 24.9329 22.4522 28.3736 -0.68465 5.68359 26.8886 2.64912 4.96199 TIMING: 3723400 CPU: 11829.6, 0.00315988/step Wall: 11829.6, 0.00315988/step, 1.12053 hours remaining, 240.039062 MB of memory in use. ENERGY: 3723400 4032.2843 20529.0058 14470.4021 244.8712 -203080.5787 2193.2242 0.0000 0.0000 52066.7729 -109544.0180 299.2285 -161610.7910 -109178.2697 299.3086 -43.8823 -6.9711 759949.9539 2.4506 2.3933 PRESSURE: 3723600 31.6272 -207.253 98.3032 -207.254 -126.746 100.085 98.3035 100.086 -212.86 GPRESSURE: 3723600 128.562 -141.416 28.4178 -91.8549 -155.634 58.3971 98.6279 263.382 -181.788 PRESSAVG: 3723600 -28.7424 51.6125 17.6289 51.6126 21.8555 29.2666 17.6289 29.2666 -13.3734 GPRESSAVG: 3723600 -28.288 52.2512 19.063 50.0492 21.0662 29.8901 16.1767 30.7601 -12.622 TIMING: 3723600 CPU: 11830.2, 0.00316548/step Wall: 11830.2, 0.00316548/step, 1.12234 hours remaining, 240.039062 MB of memory in use. ENERGY: 3723600 3902.1820 20435.1566 14474.4875 227.0408 -203421.7234 2574.9263 0.0000 0.0000 52154.8307 -109653.0995 299.7345 -161807.9302 -109293.7285 299.2126 -102.6596 -69.6203 758623.6140 -6.7534 -6.6146 PRESSURE: 3723800 216.404 121.945 -21.17 121.946 35.9554 196.768 -21.1703 196.768 -283.432 GPRESSURE: 3723800 186.759 -52.2397 -48.3916 60.2598 138.738 203.593 -37.8327 89.546 -285.821 PRESSAVG: 3723800 -88.3028 -30.4023 12.2201 -30.4023 41.9532 55.7063 12.2201 55.7063 -2.81101 GPRESSAVG: 3723800 -88.056 -29.4043 11.1404 -30.2915 42.5981 55.1928 11.7706 55.5153 -4.10827 TIMING: 3723800 CPU: 11830.9, 0.00315633/step Wall: 11830.9, 0.00315633/step, 1.11892 hours remaining, 240.039062 MB of memory in use. ENERGY: 3723800 3951.3980 20542.1327 14400.9790 248.1957 -203349.2534 2642.1476 0.0000 0.0000 52131.7147 -109432.6857 299.6017 -161564.4004 -109073.0623 299.3461 -10.3573 13.2256 761897.9071 -16.3869 -16.5220 PRESSURE: 3724000 194.966 -188.434 -20.852 -188.433 193.865 -270.701 -20.8529 -270.701 510.094 GPRESSURE: 3724000 341.501 -173.147 -41.3243 -190.31 205.223 -242.299 100.312 -202.048 451.9 PRESSAVG: 3724000 -3.43185 15.9681 11.5319 15.9682 19.4792 38.5533 11.5319 38.5533 6.69789 GPRESSAVG: 3724000 -3.10474 13.6108 12.1669 15.731 18.9738 40.0066 9.63198 35.9251 6.42971 TIMING: 3724000 CPU: 11831.5, 0.00314488/step Wall: 11831.5, 0.00314488/step, 1.11468 hours remaining, 240.039062 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: 3724000 3938.8615 20482.0100 14449.6770 247.1265 -203455.6639 2652.9062 0.0000 0.0000 52014.4713 -109670.6114 298.9279 -161685.0827 -109304.2095 299.5013 299.6418 332.8745 759711.8652 7.5817 7.4329 PRESSURE: 3724200 -247.09 -137.239 -10.8317 -137.238 -57.1559 -13.7508 -10.8308 -13.7493 212.702 GPRESSURE: 3724200 -243.262 66.1696 -21.9423 -165.625 47.1001 -38.2916 42.6053 20.8237 203.846 PRESSAVG: 3724200 -37.0097 9.53953 17.001 9.53953 21.4574 21.9 17.001 21.9 -3.478 GPRESSAVG: 3724200 -38.2867 10.9846 17.3883 8.90609 22.4916 20.6195 17.9923 25.121 -3.06486 TIMING: 3724200 CPU: 11832.1, 0.0031422/step Wall: 11832.1, 0.0031422/step, 1.11356 hours remaining, 240.039062 MB of memory in use. ENERGY: 3724200 3970.0641 20452.3101 14514.1530 255.5831 -203531.0739 2365.6448 0.0000 0.0000 52201.9273 -109771.3916 300.0052 -161973.3189 -109403.9645 298.8809 -30.5148 2.5615 761458.0586 -6.3435 -6.2867 LDB: ============= START OF LOAD BALANCING ============== 11844.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11844.6 LDB: =============== DONE WITH MIGRATION ================ 11844.6 LDB: ============= START OF LOAD BALANCING ============== 11844.9 LDB: Largest compute 7073 load 0.035007 is 17.9% of average load 0.195299 LDB: Average compute 0.004398 is 2.3% of average load 0.195299 LDB: TIME 11844.9 LOAD: AVG 0.195299 MAX 0.215589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.094 MB LDB: TIME 11844.9 LOAD: AVG 0.195299 MAX 0.215589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.188 MB LDB: TIME 11844.9 LOAD: AVG 0.195299 MAX 0.215589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.188 MB LDB: ============== END OF LOAD BALANCING =============== 11844.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11844.9 PRESSURE: 3724400 74.9826 -40.0831 -6.89276 -40.0832 -44.0873 184.809 -6.89099 184.811 -31.6983 GPRESSURE: 3724400 129.984 -15.2759 -14.5397 -68.3866 0.089112 208.857 82.0567 119.659 -39.17 PRESSAVG: 3724400 -66.6615 -30.3985 2.62385 -30.3984 56.1819 25.7295 2.6239 25.7294 4.51226 GPRESSAVG: 3724400 -65.837 -31.1436 2.21964 -30.8563 55.3538 26.7511 3.57212 25.4796 4.14615 TIMING: 3724400 CPU: 11832.8, 0.00321327/step Wall: 11832.8, 0.00321327/step, 1.13857 hours remaining, 240.039062 MB of memory in use. ENERGY: 3724400 4004.7598 20466.0863 14412.3668 242.8431 -202965.5844 2319.1402 0.0000 0.0000 51862.2675 -109658.1208 298.0532 -161520.3883 -109301.7419 298.7266 -0.2677 30.3009 760378.2226 -1.9891 -2.1123 PRESSURE: 3724600 -17.7358 2.96704 26.4732 2.96658 130.259 127.153 26.4727 127.153 -422.295 GPRESSURE: 3724600 173.124 -148.052 -74.0849 -0.56039 10.8451 108.189 56.0084 194.694 -417.392 PRESSAVG: 3724600 2.42775 -15.5445 14.3794 -15.5445 20.5122 45.3913 14.3795 45.3914 4.5999 GPRESSAVG: 3724600 1.89324 -16.0509 15.4005 -12.6261 20.8394 45.4088 13.0937 42.476 4.7353 TIMING: 3724600 CPU: 11833.4, 0.00312651/step Wall: 11833.4, 0.00312651/step, 1.10765 hours remaining, 240.039062 MB of memory in use. ENERGY: 3724600 3986.5094 20480.6066 14419.0537 238.9158 -203076.3652 2237.6713 0.0000 0.0000 52071.6663 -109641.9422 299.2566 -161713.6084 -109263.7593 298.5114 -103.2574 -77.8077 760000.5988 9.1799 9.1560 PRESSURE: 3724800 13.8619 -13.7006 -85.9181 -13.6996 -99.5134 -172.009 -85.9177 -172.009 -56.0713 GPRESSURE: 3724800 -21.9045 -64.2698 5.43536 71.4102 -35.733 -252.484 -162.685 -205.232 0.722773 PRESSAVG: 3724800 -21.1111 30.6966 47.4567 30.6966 -17.6407 -7.10677 47.4566 -7.10675 -4.77225 GPRESSAVG: 3724800 -20.8805 29.4514 46.6201 30.1876 -18.247 -7.96886 49.3102 -4.20296 -4.52536 TIMING: 3724800 CPU: 11834, 0.00315187/step Wall: 11834, 0.00315187/step, 1.11646 hours remaining, 240.039062 MB of memory in use. ENERGY: 3724800 4009.5701 20395.8968 14459.9987 261.1390 -204020.4958 2852.7987 0.0000 0.0000 52147.4535 -109893.6390 299.6921 -162041.0925 -109525.5010 298.8500 -47.2409 -18.9716 758066.5874 -14.5080 -14.5510 PRESSURE: 3725000 -153.286 125.84 60.5186 125.839 -90.3876 -219.91 60.5179 -219.91 23.5503 GPRESSURE: 3725000 -144.125 99.7263 42.9224 51.8761 34.7483 -174.039 61.6962 -189.85 -29.6538 PRESSAVG: 3725000 -14.3372 6.83113 -3.67628 6.83117 54.1004 -41.9352 -3.67628 -41.9353 -3.41256 GPRESSAVG: 3725000 -15.1925 7.92683 -3.64577 4.72918 55.3932 -41.5668 -4.83327 -42.6808 -3.38687 TIMING: 3725000 CPU: 11834.6, 0.00312947/step Wall: 11834.6, 0.00312947/step, 1.10835 hours remaining, 240.039062 MB of memory in use. ENERGY: 3725000 4043.6885 20456.1479 14400.2658 236.0082 -203329.5755 2376.6742 0.0000 0.0000 52072.9678 -109743.8230 299.2641 -161816.7908 -109375.8028 298.8988 -73.3746 -46.3435 759976.0714 12.1169 12.2713 PRESSURE: 3725200 -241.786 147.012 140.433 147.013 -289.43 -158.291 140.433 -158.29 -66.1771 GPRESSURE: 3725200 -235.455 120.193 130.829 106.093 -259.077 -110.772 118.665 -122.969 -13.9825 PRESSAVG: 3725200 -53.1638 -5.91256 48.3799 -5.91257 33.1159 -27.8748 48.3799 -27.8748 -26.5929 GPRESSAVG: 3725200 -52.098 -4.01967 49.2663 -6.0627 31.9521 -26.0342 48.8051 -27.8732 -26.2966 TIMING: 3725200 CPU: 11835.3, 0.00313516/step Wall: 11835.3, 0.00313516/step, 1.1102 hours remaining, 240.039062 MB of memory in use. ENERGY: 3725200 3961.9274 20570.0669 14334.7517 260.6244 -203406.1080 2300.7902 0.0000 0.0000 51941.1771 -110036.7704 298.5067 -161977.9475 -109674.3712 298.2738 -199.1311 -169.5049 761087.3789 -15.5469 -15.4808 PRESSURE: 3725400 -140.356 63.2593 69.2135 63.2598 -107.625 18.3806 69.2134 18.3801 474.568 GPRESSURE: 3725400 -114.847 60.4936 -6.41654 -16.1964 -67.0006 14.5442 11.9848 7.39571 500.351 PRESSAVG: 3725400 8.87107 -19.8194 15.0514 -19.8194 8.03191 46.5278 15.0514 46.5278 -10.7662 GPRESSAVG: 3725400 9.55253 -22.1966 14.1957 -20.6071 8.65479 44.4808 14.9922 47.8902 -11.9522 TIMING: 3725400 CPU: 11835.9, 0.00313764/step Wall: 11835.9, 0.00313764/step, 1.1109 hours remaining, 240.039062 MB of memory in use. ENERGY: 3725400 4027.0203 20573.3107 14306.1492 255.7332 -203550.5078 2439.1600 0.0000 0.0000 52240.9379 -109708.1966 300.2294 -161949.1345 -109346.9559 299.1702 75.5289 106.1681 761298.9509 2.0456 2.0850 PRESSURE: 3725600 86.4776 -166.929 212.31 -166.929 -112.425 65.142 212.31 65.1413 -312.511 GPRESSURE: 3725600 119.182 -95.7301 227.797 -185.727 -16.0939 113.977 130.45 25.4293 -329.677 PRESSAVG: 3725600 34.7643 -59.9802 45.6728 -59.9803 -24.6164 14.9213 45.6728 14.9213 -6.39926 GPRESSAVG: 3725600 33.6795 -59.1307 45.4693 -60.097 -24.694 14.0043 46.3218 16.9185 -5.33234 TIMING: 3725600 CPU: 11836.5, 0.00314587/step Wall: 11836.5, 0.00314587/step, 1.11364 hours remaining, 240.039062 MB of memory in use. ENERGY: 3725600 3967.7082 20532.7892 14434.1887 260.9783 -203446.7251 2504.6202 0.0000 0.0000 52056.5674 -109689.8731 299.1698 -161746.4405 -109332.4814 299.4019 -112.8196 -75.5295 761441.1304 1.2496 1.2177 PRESSURE: 3725800 60.7583 -110.919 -100.707 -110.919 32.8433 -125.716 -100.707 -125.715 -421.194 GPRESSURE: 3725800 39.5068 -113.55 -136.647 -128.79 89.2711 -133.958 -93.3884 -74.0936 -351.392 PRESSAVG: 3725800 48.4498 -21.5771 18.2954 -21.577 -42.2473 -9.53726 18.2955 -9.53725 3.94908 GPRESSAVG: 3725800 48.7177 -19.9614 18.1536 -19.43 -42.5095 -7.76551 17.9499 -9.86775 3.92555 TIMING: 3725800 CPU: 11837.1, 0.00314934/step Wall: 11837.1, 0.00314934/step, 1.11469 hours remaining, 240.039062 MB of memory in use. ENERGY: 3725800 4007.5033 20488.1393 14367.6420 246.9088 -203375.0901 2623.4125 0.0000 0.0000 52032.0098 -109609.4744 299.0287 -161641.4842 -109244.1094 298.6723 -109.1976 -74.2048 762199.2636 3.3839 3.3779 PRESSURE: 3726000 219.227 -42.791 81.2345 -42.7912 84.9898 311.565 81.2349 311.566 49.0778 GPRESSURE: 3726000 268.906 -85.9474 103.514 -71.977 111.94 353.735 -55.2421 147.466 42.7241 PRESSAVG: 3726000 -17.1667 -67.4476 17.8168 -67.4476 0.258354 15.4981 17.8169 15.4981 -3.88957 GPRESSAVG: 3726000 -16.9342 -70.2373 18.3697 -68.6289 0.32161 16.9146 16.6305 12.6569 -4.2297 TIMING: 3726000 CPU: 11837.8, 0.00314677/step Wall: 11837.8, 0.00314677/step, 1.11361 hours remaining, 240.039062 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: 3726000 3956.8147 20554.7313 14410.5288 259.7771 -203687.5699 2832.7280 0.0000 0.0000 51927.8862 -109745.1038 298.4303 -161672.9901 -109386.3024 299.1432 117.7650 141.1900 760105.1618 -6.9327 -6.9474 PRESSURE: 3726200 -138.993 77.2424 -165.296 77.2424 255.185 4.78651 -165.296 4.78604 191.606 GPRESSURE: 3726200 -43.2184 170.696 -134.257 72.1266 209.582 112.629 -113.314 -51.8832 210.63 PRESSAVG: 3726200 26.7721 -17.9461 -59.1872 -17.9461 -6.71576 45.5733 -59.1873 45.5733 6.89949 GPRESSAVG: 3726200 27.2119 -16.2736 -58.8508 -18.4928 -7.14202 42.4061 -59.534 45.6964 7.0285 TIMING: 3726200 CPU: 11838.4, 0.00314823/step Wall: 11838.4, 0.00314823/step, 1.11395 hours remaining, 240.039062 MB of memory in use. ENERGY: 3726200 3896.1951 20567.4971 14456.7223 271.7847 -203548.5081 2562.1346 0.0000 0.0000 51889.2107 -109904.9635 298.2080 -161794.1742 -109543.0521 298.3723 102.5995 125.6645 762407.7035 8.9853 9.0328 PRESSURE: 3726400 79.0519 80.3955 -81.846 80.3959 129.974 229.822 -81.8464 229.822 90.8836 GPRESSURE: 3726400 92.2221 135.187 56.5594 211.249 134.473 165.158 -121.619 185.139 146.099 PRESSAVG: 3726400 42.2802 -18.0657 -56.4317 -18.0657 -51.8466 38.1842 -56.4317 38.1842 -19.8339 GPRESSAVG: 3726400 42.859 -16.3137 -56.2065 -18.1293 -52.6473 40.7905 -55.2299 37.4414 -20.0671 TIMING: 3726400 CPU: 11839, 0.00312962/step Wall: 11839, 0.00312962/step, 1.10719 hours remaining, 240.039062 MB of memory in use. ENERGY: 3726400 3948.0246 20539.3604 14514.9875 236.1697 -203420.1579 2529.7620 0.0000 0.0000 52085.6826 -109566.1711 299.3371 -161651.8538 -109195.9228 298.8318 99.9698 124.2649 761274.4981 -9.8001 -9.9518 PRESSURE: 3726600 -164.848 26.4359 -166.224 26.4361 102.237 62.6432 -166.225 62.6431 -183.786 GPRESSURE: 3726600 -106.979 -41.3787 -189.966 -27.9219 145.115 38.9721 -283.841 160.929 -180.4 PRESSAVG: 3726600 -15.099 45.4306 5.82063 45.4306 24.4221 51.7613 5.82058 51.7613 0.728334 GPRESSAVG: 3726600 -14.7869 44.1806 6.46753 44.7343 25.8164 50.1863 3.47976 52.5419 -0.558224 TIMING: 3726600 CPU: 11839.7, 0.003153/step Wall: 11839.7, 0.003153/step, 1.11529 hours remaining, 240.039062 MB of memory in use. ENERGY: 3726600 3988.1768 20514.8476 14414.9651 230.3128 -203271.6508 2637.4179 0.0000 0.0000 52053.3205 -109432.6101 299.1511 -161485.9306 -109072.0044 299.1899 -82.1323 -47.4211 762278.9524 3.3505 3.4904 PRESSURE: 3726800 23.839 -168.584 42.8624 -168.584 -456.436 -30.1128 42.8623 -30.1126 -47.7551 GPRESSURE: 3726800 65.5392 -189.238 66.1975 -115.99 -359.584 -55.6557 3.29738 8.56418 -75.1836 PRESSAVG: 3726800 49.2042 21.4334 19.7932 21.4334 -46.3449 -19.4154 19.7932 -19.4154 -6.68348 GPRESSAVG: 3726800 48.065 21.2591 17.4008 22.1462 -46.3261 -18.2081 21.9179 -21.0598 -5.62758 TIMING: 3726800 CPU: 11840.3, 0.00316139/step Wall: 11840.3, 0.00316139/step, 1.11808 hours remaining, 240.039062 MB of memory in use. ENERGY: 3726800 3957.5845 20440.2512 14458.0668 245.5619 -203709.1251 2553.6698 0.0000 0.0000 52342.8564 -109711.1345 300.8151 -162053.9909 -109338.3180 299.8422 -160.1173 -123.0763 759546.0850 -1.2747 -1.2962 PRESSURE: 3727000 140.789 150.522 129.958 150.521 108.289 185.328 129.958 185.329 463.032 GPRESSURE: 3727000 201.443 126.05 124.837 94.7949 238.714 127.755 85.3409 100.322 364.229 PRESSAVG: 3727000 0.923376 -18.8629 3.4353 -18.8629 -28.9277 4.1813 3.43529 4.18133 -1.87981 GPRESSAVG: 3727000 0.928596 -19.8089 4.62653 -18.3408 -28.768 2.60028 0.114815 7.01634 -1.70396 TIMING: 3727000 CPU: 11840.9, 0.00313117/step Wall: 11840.9, 0.00313117/step, 1.10722 hours remaining, 240.039062 MB of memory in use. ENERGY: 3727000 3909.4494 20677.2374 14555.5579 241.0910 -204217.6063 3091.9037 0.0000 0.0000 52039.0050 -109703.3619 299.0689 -161742.3669 -109339.8985 299.8277 237.3700 268.1288 762050.1781 -9.9614 -9.8478 PRESSURE: 3727200 -183.902 6.32368 -50.7287 6.32432 -84.7829 92.8688 -50.7288 92.8675 -377.73 GPRESSURE: 3727200 -160.3 45.1022 -34.7792 -32.5206 -106.091 94.5333 -30.7046 -5.40587 -284.746 PRESSAVG: 3727200 -0.854673 -14.3297 -38.5022 -14.3297 32.9334 5.16039 -38.5022 5.16031 -10.4169 GPRESSAVG: 3727200 -0.0202358 -14.2241 -39.4983 -14.3854 32.5614 5.1674 -36.3526 4.89272 -11.0664 TIMING: 3727200 CPU: 11841.5, 0.0031284/step Wall: 11841.5, 0.0031284/step, 1.10606 hours remaining, 240.039062 MB of memory in use. ENERGY: 3727200 4011.6240 20470.7951 14469.1154 262.3624 -203644.2473 2499.2545 0.0000 0.0000 52318.8842 -109612.2118 300.6773 -161931.0960 -109242.1433 299.7400 -215.4716 -183.7125 761593.5924 7.2206 7.1583 PRESSURE: 3727400 183.647 -42.7085 -68.1167 -42.7087 -208.591 183.001 -68.117 183 -107.959 GPRESSURE: 3727400 298.265 -110.315 -8.36206 4.0117 -175.96 153.596 177.556 198.07 -170.394 PRESSAVG: 3727400 55.514 -27.5761 -5.81744 -27.5761 -35.5051 75.1834 -5.81747 75.1834 10.2324 GPRESSAVG: 3727400 54.9247 -26.243 -5.01795 -28.1595 -35.1891 75.5603 -4.18577 75.6926 10.5402 TIMING: 3727400 CPU: 11842.2, 0.00312723/step Wall: 11842.2, 0.00312723/step, 1.10547 hours remaining, 240.039062 MB of memory in use. ENERGY: 3727400 4058.8339 20543.0332 14450.6793 258.1298 -203684.0149 2649.5204 0.0000 0.0000 52244.8751 -109478.9431 300.2520 -161723.8183 -109110.1347 299.4296 -44.3009 -16.0297 761050.8034 10.0804 10.0919 PRESSURE: 3727600 -625.953 63.3558 22.9514 63.3558 -170.578 -281.095 22.9521 -281.095 -182.25 GPRESSURE: 3727600 -517.807 -43.8553 -5.9646 11.8959 -206.639 -274.246 107.792 -241.294 -168.379 PRESSAVG: 3727600 32.0534 -11.0372 23.7027 -11.0371 -8.57267 -16.869 23.7028 -16.869 2.93195 GPRESSAVG: 3727600 33.0787 -10.7172 25.0959 -10.4699 -10.6543 -17.2305 24.0028 -18.1615 3.44154 TIMING: 3727600 CPU: 11842.8, 0.00313188/step Wall: 11842.8, 0.00313189/step, 1.10695 hours remaining, 240.039062 MB of memory in use. ENERGY: 3727600 4106.7501 20550.7891 14417.2557 258.3049 -203474.0339 2593.9594 0.0000 0.0000 52064.5324 -109482.4422 299.2156 -161546.9746 -109126.3161 300.4083 -326.2602 -297.6085 761849.9313 8.8042 8.6220 PRESSURE: 3727800 98.3372 136.934 102.01 136.934 84.1218 -23.3493 102.01 -23.3481 171.909 GPRESSURE: 3727800 193.008 126.048 150.693 -10.3019 37.0141 9.54946 -34.6256 86.2765 209.462 PRESSAVG: 3727800 -8.95229 -21.0139 -56.9679 -21.014 2.99979 -31.0707 -56.9679 -31.0708 0.317515 GPRESSAVG: 3727800 -9.59564 -21.4919 -58.5716 -20.7011 4.00127 -30.6575 -59.5875 -29.502 0.521821 TIMING: 3727800 CPU: 11843.4, 0.00314575/step Wall: 11843.4, 0.00314575/step, 1.11167 hours remaining, 240.039062 MB of memory in use. ENERGY: 3727800 3957.5697 20575.6727 14453.0177 249.1544 -203717.1066 2782.2939 0.0000 0.0000 52093.8176 -109605.5807 299.3839 -161699.3983 -109247.8582 299.6160 118.1226 146.4949 760999.9353 -1.8783 -1.6909 PRESSURE: 3728000 31.2016 26.3214 17.0597 26.3222 8.40169 270.438 17.0598 270.437 -106.288 GPRESSURE: 3728000 75.3081 111.113 13.6382 82.3024 32.2026 187.642 135.51 159.631 -84.6837 PRESSAVG: 3728000 33.382 -43.9113 -3.15104 -43.9112 -35.3774 42.8794 -3.15105 42.8795 8.40378 GPRESSAVG: 3728000 33.5682 -43.5454 -1.33062 -44.5701 -35.7142 40.5242 -2.6921 43.0221 8.54179 TIMING: 3728000 CPU: 11844.1, 0.00313481/step Wall: 11844.1, 0.00313481/step, 1.10763 hours remaining, 240.039062 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: 3728000 3983.4052 20395.5833 14493.2682 235.3849 -202789.7886 2084.4715 0.0000 0.0000 52353.2297 -109244.4456 300.8747 -161597.6754 -108885.5365 299.6166 -22.2282 7.6090 761635.7425 2.1361 2.1319 PRESSURE: 3728200 303.339 101.322 -71.1999 101.323 -129.139 -103.432 -71.1999 -103.432 -7.12249 GPRESSURE: 3728200 237.355 60.081 -98.81 69.2949 -16.0264 -87.6217 -45.4803 -187.78 27.8558 PRESSAVG: 3728200 9.41846 23.048 58.0985 23.048 -41.8883 -6.67674 58.0985 -6.67672 -10.8913 GPRESSAVG: 3728200 9.20957 22.7364 56.6838 21.511 -41.6562 -5.00246 58.4129 -7.04301 -11.1393 TIMING: 3728200 CPU: 11844.7, 0.00314034/step Wall: 11844.7, 0.00314034/step, 1.10941 hours remaining, 240.039062 MB of memory in use. ENERGY: 3728200 4007.3909 20556.4607 14452.5467 272.0085 -203183.5533 2744.0285 0.0000 0.0000 51964.7202 -109186.3977 298.6420 -161151.1179 -108821.8083 299.7257 55.6925 83.0615 760220.1695 -14.4537 -14.5287 LDB: ============= START OF LOAD BALANCING ============== 11857.1 LDB: ============== END OF LOAD BALANCING =============== 11857.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11857.1 LDB: ============= START OF LOAD BALANCING ============== 11857.5 LDB: Largest compute 7024 load 0.034036 is 17.4% of average load 0.195424 LDB: Average compute 0.004378 is 2.2% of average load 0.195424 LDB: TIME 11857.5 LOAD: AVG 0.195424 MAX 0.21317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.863 MB LDB: TIME 11857.5 LOAD: AVG 0.195424 MAX 0.21317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.066 MB LDB: TIME 11857.5 LOAD: AVG 0.195424 MAX 0.21317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.066 MB LDB: ============== END OF LOAD BALANCING =============== 11857.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11857.5 PRESSURE: 3728400 -70.4858 105.61 87.5992 105.609 -248.962 6.09619 87.5991 6.09549 -32.7777 GPRESSURE: 3728400 -99.5661 88.9954 -25.2026 61.091 -115.879 2.37709 -17.5838 31.7278 -50.5827 PRESSAVG: 3728400 36.6364 2.32139 -6.28976 2.32142 -45.1602 50.2033 -6.28971 50.2033 6.94811 GPRESSAVG: 3728400 36.6987 4.32333 -5.7602 2.12827 -45.4914 49.7975 -7.49182 51.5147 7.58904 TIMING: 3728400 CPU: 11845.3, 0.00321041/step Wall: 11845.3, 0.00321041/step, 1.13399 hours remaining, 240.867188 MB of memory in use. ENERGY: 3728400 4050.3425 20444.8772 14472.5990 239.5575 -203348.1705 2706.6956 0.0000 0.0000 51947.5252 -109486.5736 298.5431 -161434.0988 -109141.4234 299.7821 -117.4085 -88.6760 761189.2130 -0.5252 -0.4012 PRESSURE: 3728600 157.972 18.6863 154.714 18.6859 -418.415 146.061 154.715 146.061 -142.365 GPRESSURE: 3728600 89.6907 -3.73024 99.7815 8.49336 -340.447 204.354 154.839 92.7977 -79.2847 PRESSAVG: 3728600 9.67232 27.9671 2.68366 27.9671 -22.9198 20.8534 2.68375 20.8533 22.205 GPRESSAVG: 3728600 9.42026 28.6519 1.86981 31.0126 -21.7701 19.5827 4.1313 19.5388 21.3146 TIMING: 3728600 CPU: 11846, 0.00314541/step Wall: 11846, 0.00314541/step, 1.11085 hours remaining, 241.070312 MB of memory in use. ENERGY: 3728600 3958.1680 20672.6925 14481.0080 252.7543 -203454.1652 2706.4478 0.0000 0.0000 51978.8318 -109404.2628 298.7231 -161383.0946 -109042.7460 299.4631 -134.2694 -110.0135 762463.3950 2.9859 2.9883 PRESSURE: 3728800 -280.832 39.0766 -208.584 39.0764 -69.2561 -133.78 -208.584 -133.78 -81.6419 GPRESSURE: 3728800 -329.523 -7.7349 -231.486 -53.6431 1.09373 -142.298 -156.197 -108.001 -26.1554 PRESSAVG: 3728800 15.2816 20.4318 -21.6461 20.4318 -39.7922 12.7208 -21.6461 12.7208 -12.9604 GPRESSAVG: 3728800 15.3556 17.0437 -21.3209 19.449 -39.8217 13.7984 -23.1729 13.8801 -13.2236 TIMING: 3728800 CPU: 11846.6, 0.00314412/step Wall: 11846.6, 0.00314412/step, 1.11023 hours remaining, 241.070312 MB of memory in use. ENERGY: 3728800 4028.0336 20616.9769 14506.6266 240.6581 -203380.9679 2366.6426 0.0000 0.0000 52248.7269 -109373.3033 300.2742 -161622.0301 -109016.1048 300.0422 -143.9100 -118.1950 760094.1874 -12.4903 -12.5632 PRESSURE: 3729000 -143.997 -91.5342 -101.261 -91.5352 -21.6339 131.666 -101.26 131.667 -492.167 GPRESSURE: 3729000 -28.4015 -185.04 -129.772 -48.2223 -65.5849 70.678 -186.911 118.846 -485.582 PRESSAVG: 3729000 4.55922 -35.4735 -4.67222 -35.4735 -8.96132 53.0595 -4.67218 53.0596 -7.05057 GPRESSAVG: 3729000 4.28452 -34.0957 -3.2327 -36.6606 -9.1166 53.318 -4.86383 49.5112 -6.7647 TIMING: 3729000 CPU: 11847.2, 0.00314753/step Wall: 11847.2, 0.00314753/step, 1.11125 hours remaining, 241.070312 MB of memory in use. ENERGY: 3729000 3971.9824 20419.6448 14491.3092 269.5909 -203421.0426 2639.3957 0.0000 0.0000 52080.9416 -109548.1780 299.3099 -161629.1196 -109183.0491 299.6651 -219.2662 -193.1894 761152.5576 -3.8176 -3.8656 PRESSURE: 3729200 -43.7093 -222.836 32.1396 -222.836 -371.096 86.5253 32.1398 86.5251 98.0463 GPRESSURE: 3729200 -44.9736 -29.2696 26.8421 -109.813 -318.148 77.2482 90.7322 52.3489 146.496 PRESSAVG: 3729200 37.0639 -37.9524 8.68963 -37.9524 2.39627 61.1932 8.68968 61.1932 -31.1047 GPRESSAVG: 3729200 37.5469 -38.4901 6.97334 -37.9033 2.55367 61.7164 9.9852 64.8877 -31.3175 TIMING: 3729200 CPU: 11847.8, 0.00317328/step Wall: 11847.8, 0.00317328/step, 1.12017 hours remaining, 241.070312 MB of memory in use. ENERGY: 3729200 3998.4164 20495.0322 14407.4024 237.2014 -203057.1965 2255.1440 0.0000 0.0000 52205.7636 -109458.2364 300.0272 -161664.0000 -109090.4864 299.2997 -105.5862 -72.2083 761947.6757 2.7852 2.9277 PRESSURE: 3729400 -327.102 -213.323 189.375 -213.324 -111.108 140.921 189.376 140.922 -84.3436 GPRESSURE: 3729400 -268.993 -167.948 187.253 -124.641 -38.9642 128.224 140.898 142.285 -138.6 PRESSAVG: 3729400 11.1025 -78.8837 17.9758 -78.8837 -33.8444 2.01796 17.9758 2.01793 0.946513 GPRESSAVG: 3729400 10.7981 -76.1705 18.2815 -79.5923 -34.0955 1.18714 18.5335 -0.46901 0.869563 TIMING: 3729400 CPU: 11848.5, 0.00316399/step Wall: 11848.5, 0.00316399/step, 1.11671 hours remaining, 241.070312 MB of memory in use. ENERGY: 3729400 4053.1352 20484.1882 14498.6953 231.9923 -203308.5408 2544.5201 0.0000 0.0000 52073.7014 -109422.3083 299.2683 -161496.0098 -109064.4000 299.5812 -174.1847 -148.8523 761125.0464 -7.2651 -7.4759 PRESSURE: 3729600 300.236 22.0254 34.4249 22.0265 141.917 285.947 34.4244 285.947 -317.101 GPRESSURE: 3729600 380.579 5.37854 -70.0161 29.8402 88.8568 305.612 81.851 156.294 -263.688 PRESSAVG: 3729600 -23.2561 -71.9388 -0.72481 -71.9387 26.0017 9.02893 -0.724793 9.02892 -13.1896 GPRESSAVG: 3729600 -22.9456 -72.2459 0.575156 -71.9667 24.9069 8.82298 -1.61461 9.6113 -12.4172 TIMING: 3729600 CPU: 11849.1, 0.00316869/step Wall: 11849.1, 0.00316869/step, 1.1182 hours remaining, 241.070312 MB of memory in use. ENERGY: 3729600 3959.6267 20491.8742 14476.0767 256.4204 -203579.9963 2620.0881 0.0000 0.0000 51918.1469 -109857.7633 298.3743 -161775.9102 -109492.9280 299.0693 41.6839 68.5826 760462.9867 -3.4814 -3.4853 PRESSURE: 3729800 372.614 -264.633 -114.621 -264.633 174.775 189.431 -114.621 189.431 36.4191 GPRESSURE: 3729800 411.113 -274.169 -55.7262 -171.731 153.772 115.783 -149.903 240.275 109.545 PRESSAVG: 3729800 -21.8217 -4.75899 13.4764 -4.75895 45.4716 -19.3305 13.4764 -19.3305 -18.3629 GPRESSAVG: 3729800 -21.2799 -6.37472 13.2182 -5.59141 46.3939 -19.0437 14.7128 -20.8499 -19.9201 TIMING: 3729800 CPU: 11849.7, 0.00316272/step Wall: 11849.7, 0.00316272/step, 1.11591 hours remaining, 241.070312 MB of memory in use. ENERGY: 3729800 3990.2371 20466.4947 14455.6578 244.1135 -203463.3838 2622.0759 0.0000 0.0000 52004.4994 -109680.3055 298.8706 -161684.8048 -109326.0354 299.2202 194.6030 224.8099 760219.8433 1.7623 1.7313 PRESSURE: 3730000 15.6202 176.1 317.773 176.099 274.711 -31.77 317.773 -31.7709 -152.959 GPRESSURE: 3730000 -26.904 107.95 335.922 247.254 289.064 -11.4669 311.071 21.1428 -66.0499 PRESSAVG: 3730000 39.6378 -11.7541 18.1247 -11.7542 -43.6038 -32.4027 18.1246 -32.4026 -0.181579 GPRESSAVG: 3730000 38.2623 -10.5302 15.5603 -10.019 -43.8954 -30.8238 17.0647 -34.3566 0.605586 TIMING: 3730000 CPU: 11850.4, 0.00317269/step Wall: 11850.4, 0.00317269/step, 1.11925 hours remaining, 241.070312 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: 3730000 3975.9449 20453.4372 14469.5551 237.9093 -203315.1641 2582.1696 0.0000 0.0000 52055.8559 -109540.2921 299.1657 -161596.1480 -109178.6973 299.5296 45.7905 65.3702 762191.4878 -1.3825 -1.6758 PRESSURE: 3730200 -43.8822 -65.1447 4.38716 -65.1439 -297.924 -169.783 4.38731 -169.783 -351.329 GPRESSURE: 3730200 -99.5571 -80.2626 6.04198 -134.638 -185.79 -87.7706 43.9927 -204.296 -310.017 PRESSAVG: 3730200 7.5576 5.3919 21.2127 5.3919 52.2225 4.25871 21.2126 4.2587 30.1918 GPRESSAVG: 3730200 8.89385 2.7727 22.138 6.33041 51.9048 3.50631 23.4959 7.65982 29.995 TIMING: 3730200 CPU: 11851, 0.00317326/step Wall: 11851, 0.00317326/step, 1.11928 hours remaining, 241.070312 MB of memory in use. ENERGY: 3730200 4112.8172 20403.2175 14412.6371 229.4537 -203576.0824 2760.4354 0.0000 0.0000 52060.5373 -109596.9842 299.1926 -161657.5215 -109238.0487 299.4476 -231.0450 -198.4550 761051.6992 29.9906 30.2646 PRESSURE: 3730400 -424.683 17.0423 215.223 17.0412 -357.94 105.316 215.223 105.314 -224.976 GPRESSURE: 3730400 -313.197 -58.4231 233.89 -10.708 -301.786 79.0308 243.922 20.578 -296.626 PRESSAVG: 3730400 54.5529 17.4609 41.527 17.4609 -41.2329 2.22429 41.527 2.22429 -3.11956 GPRESSAVG: 3730400 54.1464 15.8155 40.3993 16.976 -40.9997 2.76421 39.911 1.54112 -2.98254 TIMING: 3730400 CPU: 11851.6, 0.00313892/step Wall: 11851.6, 0.00313892/step, 1.10699 hours remaining, 241.070312 MB of memory in use. ENERGY: 3730400 4030.8235 20530.8136 14417.3146 225.8271 -202924.0969 2111.0932 0.0000 0.0000 51993.1241 -109615.1007 298.8052 -161608.2249 -109252.3817 299.5350 -335.8663 -303.8695 761476.5577 3.4001 3.3881 PRESSURE: 3730600 -3.23934 28.7762 -64.9726 28.7764 107.586 87.3135 -64.9716 87.3143 16.0692 GPRESSURE: 3730600 60.569 103.084 -6.78871 92.3733 50.5994 97.249 86.3137 83.9635 86.3626 PRESSAVG: 3730600 15.9845 -5.82861 -27.3856 -5.82859 -58.505 32.0794 -27.3857 32.0795 -0.159988 GPRESSAVG: 3730600 16.5584 -3.07109 -26.4401 -5.54563 -58.7985 31.7336 -27.6842 31.7103 -0.623989 TIMING: 3730600 CPU: 11852.3, 0.00317831/step Wall: 11852.3, 0.00317831/step, 1.12071 hours remaining, 241.070312 MB of memory in use. ENERGY: 3730600 3889.5305 20609.1525 14412.2901 252.5157 -203264.9231 2425.5622 0.0000 0.0000 52076.5945 -109599.2775 299.2849 -161675.8720 -109235.6225 299.1165 40.1387 65.8436 761245.2026 -14.2268 -14.2880 PRESSURE: 3730800 -61.4134 9.09927 180.207 9.09912 21.7004 -40.2818 180.207 -40.2826 -291.538 GPRESSURE: 3730800 -123.334 -128.483 230.982 52.9618 146.321 15.3142 135.727 13.9617 -265.353 PRESSAVG: 3730800 3.81954 10.6412 66.8899 10.6412 -12.617 35.3237 66.8899 35.3237 -5.12383 GPRESSAVG: 3730800 2.01325 11.176 66.879 10.7065 -12.2593 34.8743 68.5154 36.6551 -4.03413 TIMING: 3730800 CPU: 11852.9, 0.00317664/step Wall: 11852.9, 0.00317664/step, 1.11994 hours remaining, 241.070312 MB of memory in use. ENERGY: 3730800 3945.4257 20602.8064 14385.7308 250.8189 -203384.9877 2257.1122 0.0000 0.0000 52391.9153 -109551.1785 301.0971 -161943.0937 -109187.8771 299.1088 -110.4170 -80.7886 760466.4860 -4.6404 -4.7601 PRESSURE: 3731000 4.88725 -104.344 13.8066 -104.345 46.1996 -162.605 13.8068 -162.605 -141.621 GPRESSURE: 3731000 -112.228 -99.7201 16.549 -228.141 113.271 -125.362 106.17 -137.871 -5.37839 PRESSAVG: 3731000 -19.1856 -27.9123 59.465 -27.9123 19.4309 35.6686 59.465 35.6685 -3.29644 GPRESSAVG: 3731000 -18.942 -27.5236 59.5282 -30.1003 19.9229 35.7556 58.3077 34.7841 -4.46785 TIMING: 3731000 CPU: 11853.5, 0.00317479/step Wall: 11853.5, 0.00317479/step, 1.11911 hours remaining, 241.070312 MB of memory in use. ENERGY: 3731000 3973.6177 20534.9887 14391.5207 235.2847 -202891.4550 2291.0649 0.0000 0.0000 51765.0211 -109699.9572 297.4943 -161464.9783 -109332.3613 299.1917 -30.1780 -1.4450 761442.0988 -1.0171 -1.1623 PRESSURE: 3731200 135.383 2.34707 47.682 2.34741 67.0939 -90.2487 47.6824 -90.2494 153.831 GPRESSURE: 3731200 222.007 56.0839 87.1255 -174.536 90.9932 -33.0083 -45.4916 -71.6888 126.178 PRESSAVG: 3731200 6.52279 6.10881 48.6331 6.10878 -4.90751 26.547 48.6331 26.547 -3.30198 GPRESSAVG: 3731200 7.06556 4.96473 48.8738 7.41991 -6.12692 26.9519 48.5324 26.7489 -2.83744 TIMING: 3731200 CPU: 11854.2, 0.0031887/step Wall: 11854.2, 0.0031887/step, 1.12384 hours remaining, 241.070312 MB of memory in use. ENERGY: 3731200 4018.3740 20634.1039 14466.5779 218.6517 -203367.5769 2600.5937 0.0000 0.0000 51997.4361 -109431.8394 298.8300 -161429.2756 -109063.9694 299.2436 118.7693 146.3925 759537.6960 -0.5622 -0.6329 PRESSURE: 3731400 50.4481 80.4968 97.0762 80.497 -107.235 -82.2668 97.0763 -82.267 79.4867 GPRESSURE: 3731400 42.0904 79.3624 65.667 129.735 -12.711 -135.983 90.9308 -190.321 82.1995 PRESSAVG: 3731400 51.9647 50.4432 22.2991 50.4432 -45.6841 8.10312 22.2991 8.10312 12.7567 GPRESSAVG: 3731400 51.0468 50.3481 22.6465 50.694 -43.4832 6.13197 21.1891 6.23583 11.233 TIMING: 3731400 CPU: 11854.8, 0.00317834/step Wall: 11854.8, 0.00317834/step, 1.12001 hours remaining, 241.070312 MB of memory in use. ENERGY: 3731400 4008.4215 20505.9262 14467.8371 238.9422 -203084.9917 2342.7686 0.0000 0.0000 52090.5757 -109430.5206 299.3653 -161521.0963 -109073.5334 299.6749 7.5665 37.1930 760119.2270 6.3458 6.2656 PRESSURE: 3731600 -72.7548 219.142 194.883 219.142 103.67 -16.9824 194.884 -16.9819 146.239 GPRESSURE: 3731600 -40.6027 128.628 140.936 245.971 178.269 20.362 181.653 -24.0099 131.332 PRESSAVG: 3731600 -37.2143 26.2379 -41.3826 26.2378 32.803 -25.0481 -41.3826 -25.0481 -7.42118 GPRESSAVG: 3731600 -37.8563 22.4282 -42.3834 27.8584 31.8582 -23.2173 -38.9958 -25.482 -5.89596 TIMING: 3731600 CPU: 11855.5, 0.00317328/step Wall: 11855.5, 0.00317328/step, 1.11805 hours remaining, 241.070312 MB of memory in use. ENERGY: 3731600 4018.5475 20446.1104 14459.9960 258.0284 -203331.0217 2602.6636 0.0000 0.0000 52053.9826 -109491.6932 299.1550 -161545.6758 -109123.9679 299.5236 59.0514 89.6663 759584.4861 -3.9441 -3.9647 PRESSURE: 3731800 -309.791 -155.456 -65.4382 -155.456 -284.458 -117.127 -65.4378 -117.129 -133.905 GPRESSURE: 3731800 -221.538 -169.97 -140.848 -111.371 -291.387 -67.7751 -68.7612 -135.384 -136.358 PRESSAVG: 3731800 33.3803 4.64748 -3.30281 4.64739 -14.9485 -71.0311 -3.30282 -71.0311 6.26497 GPRESSAVG: 3731800 34.0857 7.08241 -1.73021 2.47309 -16.0548 -70.4167 -5.08558 -70.7546 6.29041 TIMING: 3731800 CPU: 11856.1, 0.00319908/step Wall: 11856.1, 0.00319908/step, 1.12697 hours remaining, 241.070312 MB of memory in use. ENERGY: 3731800 3966.0364 20449.4191 14485.0695 249.6507 -203220.8670 2374.2098 0.0000 0.0000 52258.7972 -109437.6841 300.3320 -161696.4813 -109073.3254 299.1704 -242.7182 -216.4275 759184.2581 8.2323 8.1071 PRESSURE: 3732000 -66.6374 -76.9094 168.01 -76.9085 190.232 -164.963 168.01 -164.963 379.24 GPRESSURE: 3732000 7.09729 -74.1376 141.693 -127.806 218.431 -49.0323 142.36 -112.215 361.355 PRESSAVG: 3732000 44.7941 -13.2296 -4.97382 -13.2296 19.5478 -83.1898 -4.97384 -83.1897 4.54645 GPRESSAVG: 3732000 44.099 -12.5249 -4.79983 -12.2614 19.92 -82.1226 -2.95704 -81.8983 5.02048 TIMING: 3732000 CPU: 11856.7, 0.00317316/step Wall: 11856.7, 0.00317316/step, 1.11766 hours remaining, 241.070312 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: 3732000 3939.7540 20503.7823 14492.4457 257.9786 -203423.8303 2463.7034 0.0000 0.0000 52104.9901 -109661.1762 299.4481 -161766.1663 -109300.8717 299.4929 167.6116 195.6277 759443.2015 22.9628 23.0132 PRESSURE: 3732200 64.4327 -6.09641 -20.3065 -6.09575 -102.44 78.2284 -20.3069 78.2301 19.2658 GPRESSURE: 3732200 26.3778 -42.4481 83.2368 140.921 -54.0137 90.5342 -51.7208 119.929 96.302 PRESSAVG: 3732200 -12.1453 34.3718 17.8404 34.3718 54.6731 1.53774 17.8404 1.53776 -7.25106 GPRESSAVG: 3732200 -11.9989 33.3104 16.5199 35.1026 55.129 -0.00287635 17.7669 0.740622 -7.84193 TIMING: 3732200 CPU: 11857.4, 0.00317479/step Wall: 11857.4, 0.00317479/step, 1.11806 hours remaining, 241.070312 MB of memory in use. ENERGY: 3732200 3941.8398 20498.1716 14369.0578 261.6815 -203348.0281 2377.7759 0.0000 0.0000 52247.5797 -109651.9217 300.2676 -161899.5014 -109282.0197 299.6152 -6.2471 22.8887 760464.0483 11.7589 11.7627 LDB: ============= START OF LOAD BALANCING ============== 11869.8 LDB: ============== END OF LOAD BALANCING =============== 11869.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11869.8 LDB: ============= START OF LOAD BALANCING ============== 11870.1 LDB: Largest compute 7024 load 0.034246 is 17.5% of average load 0.195317 LDB: Average compute 0.004369 is 2.2% of average load 0.195317 LDB: TIME 11870.1 LOAD: AVG 0.195317 MAX 0.21701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11870.1 LOAD: AVG 0.195317 MAX 0.21701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 11870.1 LOAD: AVG 0.195317 MAX 0.21701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 11870.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11870.2 PRESSURE: 3732400 80.1292 9.77901 -111.379 9.77923 11.9619 -40.4516 -111.379 -40.4507 -204.987 GPRESSURE: 3732400 132.376 44.0433 -163.371 28.3793 30.4258 -42.2661 -52.1783 -21.7198 -205.171 PRESSAVG: 3732400 1.73106 39.1688 44.6726 39.1688 -16.4841 -13.341 44.6726 -13.3409 -30.8227 GPRESSAVG: 3732400 0.493104 40.796 43.9112 35.5936 -16.316 -13.0272 41.5197 -15.2522 -30.1517 TIMING: 3732400 CPU: 11858, 0.00325734/step Wall: 11858, 0.00325734/step, 1.14694 hours remaining, 240.808594 MB of memory in use. ENERGY: 3732400 4045.4593 20393.9548 14427.3726 279.6852 -203348.6642 2400.5864 0.0000 0.0000 52161.8483 -109639.7577 299.7749 -161801.6059 -109271.4207 298.9829 -37.6319 -14.1232 761275.2471 -15.1919 -15.3249 PRESSURE: 3732600 -243.821 74.6353 267.957 74.6357 -295.5 -234.124 267.956 -234.125 -124.309 GPRESSURE: 3732600 -188.965 132.709 273.02 155.885 -275.163 -280.571 89.5253 52.7071 -107.622 PRESSAVG: 3732600 20.2025 -10.5286 -13.5937 -10.5286 -32.7353 -14.4041 -13.5938 -14.4041 -35.242 GPRESSAVG: 3732600 21.9797 -11.5088 -11.5192 -6.26497 -33.7539 -13.6007 -13.2459 -12.3075 -35.697 TIMING: 3732600 CPU: 11858.7, 0.00316855/step Wall: 11858.7, 0.00316855/step, 1.11551 hours remaining, 240.808594 MB of memory in use. ENERGY: 3732600 3953.4236 20606.4032 14453.0298 238.5572 -203109.3892 2387.1904 0.0000 0.0000 52073.3080 -109397.4769 299.2660 -161470.7849 -109035.9334 299.6566 -221.2098 -190.5833 761675.9116 -15.9249 -15.8237 PRESSURE: 3732800 -171.709 -96.9631 17.2955 -96.9637 54.9857 161.753 17.2955 161.751 19.8546 GPRESSURE: 3732800 -73.9213 -87.2923 74.0183 65.1583 91.1794 200.5 77.3454 152.575 -30.3357 PRESSAVG: 3732800 4.6425 -0.899095 16.7296 -0.899025 18.4401 -24.8515 16.7296 -24.8515 11.7167 GPRESSAVG: 3732800 3.04696 -1.7349 14.5309 -1.94377 19.9491 -26.4166 16.2756 -23.9059 11.5678 TIMING: 3732800 CPU: 11859.3, 0.00316878/step Wall: 11859.3, 0.00316878/step, 1.11541 hours remaining, 240.808594 MB of memory in use. ENERGY: 3732800 3977.1354 20398.0137 14407.4100 225.7169 -203360.3050 2576.4813 0.0000 0.0000 52324.0599 -109451.4878 300.7071 -161775.5477 -109083.1596 299.9507 -32.2896 -4.3592 760891.3135 11.5998 11.5213 PRESSURE: 3733000 189.768 -55.9233 99.9972 -55.9241 -168.725 -208.838 99.9976 -208.837 -632.581 GPRESSURE: 3733000 154.198 -52.6972 26.1374 -75.1102 -111.433 -134.008 209.771 -188.294 -559.118 PRESSAVG: 3733000 -6.25691 7.06853 -4.55593 7.06856 28.8035 -35.6057 -4.556 -35.6055 21.8013 GPRESSAVG: 3733000 -6.29636 8.19013 -3.14487 5.37769 29.0089 -35.6301 -2.82232 -38.6492 21.5399 TIMING: 3733000 CPU: 11859.9, 0.00317901/step Wall: 11859.9, 0.00317901/step, 1.11884 hours remaining, 240.808594 MB of memory in use. ENERGY: 3733000 4021.7346 20574.5433 14457.6248 261.4241 -203418.9380 2719.9179 0.0000 0.0000 52218.1758 -109165.5174 300.0986 -161383.6932 -108814.8320 299.8771 -203.8460 -172.1176 761825.0623 14.7827 14.7508 PRESSURE: 3733200 -177.617 47.249 63.5805 47.2488 -65.8761 -124.824 63.5802 -124.824 -225.638 GPRESSURE: 3733200 -109.974 -26.5215 45.6907 6.79197 -34.7752 -244.088 20.7261 -180.879 -216.342 PRESSAVG: 3733200 48.025 -18.5813 -21.0008 -18.5812 -80.1347 0.453001 -21.0009 0.452986 -42.956 GPRESSAVG: 3733200 49.2984 -19.5167 -21.0382 -18.7542 -80.5751 -1.97031 -21.5451 3.76336 -43.4888 TIMING: 3733200 CPU: 11860.6, 0.00316704/step Wall: 11860.6, 0.00316704/step, 1.11445 hours remaining, 240.808594 MB of memory in use. ENERGY: 3733200 3984.2790 20359.7339 14418.8726 233.2151 -203192.0373 2554.6465 0.0000 0.0000 52286.4473 -109354.8429 300.4909 -161641.2902 -108990.8764 300.1285 -156.3772 -120.3636 761571.1971 -25.0219 -24.9218 PRESSURE: 3733400 4.58892 220.124 13.648 220.124 -301.664 -49.9893 13.6478 -49.9904 261.245 GPRESSURE: 3733400 37.7496 178.715 43.5541 162.585 -248.886 20.8785 -0.671331 -110.365 279.48 PRESSAVG: 3733400 -0.142333 -8.23599 -42.6081 -8.236 -16.4345 -37.6218 -42.608 -37.6217 17.5895 GPRESSAVG: 3733400 0.158199 -8.15983 -43.0571 -7.98705 -17.0469 -35.1929 -41.0933 -41.4963 17.8725 TIMING: 3733400 CPU: 11861.2, 0.00318049/step Wall: 11861.2, 0.00318049/step, 1.119 hours remaining, 240.808594 MB of memory in use. ENERGY: 3733400 4026.2373 20555.6097 14463.7973 259.0706 -203501.2794 2725.5782 0.0000 0.0000 52201.0610 -109269.9253 300.0002 -161470.9863 -108909.2080 300.2738 -11.9435 22.7812 762350.6591 0.3376 0.3280 PRESSURE: 3733600 30.4591 -92.9461 -110.75 -92.9463 183.91 -37.1655 -110.75 -37.1638 -219.969 GPRESSURE: 3733600 7.13039 -36.4185 -103.595 -163.28 255.832 -153.795 -104.18 135.465 -177.872 PRESSAVG: 3733600 -41.2232 -28.0062 25.1967 -28.0062 57.8543 -32.7845 25.1967 -32.7845 9.20205 GPRESSAVG: 3733600 -41.8885 -27.8222 24.2083 -26.5153 58.3453 -32.9775 24.9359 -30.5782 9.60268 TIMING: 3733600 CPU: 11861.8, 0.00318456/step Wall: 11861.8, 0.00318456/step, 1.12026 hours remaining, 240.808594 MB of memory in use. ENERGY: 3733600 3988.8582 20532.2315 14471.9912 252.5649 -203154.8882 2490.5554 0.0000 0.0000 52148.9732 -109269.7138 299.7009 -161418.6870 -108896.8870 299.6063 -1.8665 28.3635 762957.1508 8.6111 8.6865 PRESSURE: 3733800 -44.209 -18.8153 -68.4324 -18.8152 -3.47593 82.3584 -68.4326 82.3585 332.164 GPRESSURE: 3733800 -22.6116 -7.81317 -32.9071 85.4368 93.7071 84.2953 -114.846 67.4895 285.657 PRESSAVG: 3733800 32.6364 31.1703 35.6293 31.1703 25.4934 -28.0937 35.6293 -28.0937 -6.52771 GPRESSAVG: 3733800 32.5441 30.9768 38.1573 30.6311 25.8412 -29.637 34.7582 -27.6674 -6.77536 TIMING: 3733800 CPU: 11862.5, 0.00320962/step Wall: 11862.5, 0.00320962/step, 1.12889 hours remaining, 240.808594 MB of memory in use. ENERGY: 3733800 3951.0118 20687.9328 14497.9492 255.8503 -203491.7659 2629.9268 0.0000 0.0000 52067.9006 -109401.1943 299.2349 -161469.0949 -109045.0052 299.9986 94.8265 118.9176 759637.4492 17.2007 17.2033 PRESSURE: 3734000 20.7636 -81.1613 36.2096 -81.161 171.166 48.9638 36.2103 48.9642 -44.5008 GPRESSURE: 3734000 65.6877 -30.9021 -99.6611 -109.313 195.04 -50.2414 76.7926 251.025 -11.7527 PRESSAVG: 3734000 49.8149 -19.4943 27.5155 -19.4943 -18.2403 -7.60911 27.5155 -7.60917 40.7973 GPRESSAVG: 3734000 50.8157 -16.7612 26.8028 -20.6625 -18.7082 -7.12084 28.6536 -7.12867 39.9646 TIMING: 3734000 CPU: 11863.1, 0.0031817/step Wall: 11863.1, 0.0031817/step, 1.1189 hours remaining, 240.808594 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: 3734000 3955.6177 20688.7238 14395.9427 246.7909 -203292.9639 2573.1956 0.0000 0.0000 51946.0425 -109486.6508 298.5346 -161432.6933 -109134.9054 299.4209 49.1429 82.9916 761707.9658 24.1240 24.0240 PRESSURE: 3734200 82.3798 -120.566 49.9331 -120.566 -308.578 0.438436 49.9322 0.439016 94.7637 GPRESSURE: 3734200 45.7127 -120.149 57.7218 -43.4205 -214.448 34.3523 87.1635 -28.4887 135.59 PRESSAVG: 3734200 0.400043 -41.7295 47.4279 -41.7295 -35.5697 3.1391 47.4279 3.13906 4.09593 GPRESSAVG: 3734200 -0.624831 -41.8166 45.7262 -42.4157 -35.408 3.31949 48.1952 4.47204 4.89695 TIMING: 3734200 CPU: 11863.7, 0.00316504/step Wall: 11863.7, 0.00316503/step, 1.11286 hours remaining, 240.808594 MB of memory in use. ENERGY: 3734200 4034.0554 20546.4117 14501.9814 241.6332 -203451.9322 2578.1370 0.0000 0.0000 52081.1904 -109468.5230 299.3113 -161549.7135 -109109.8928 299.6243 -43.8117 -11.0485 759633.9222 -10.3579 -10.3786 PRESSURE: 3734400 114.999 -97.8826 -15.8917 -97.8831 249.533 -110.744 -15.8919 -110.742 -299.76 GPRESSURE: 3734400 104.433 -115.185 87.0268 -112.311 276.49 -80.8888 -140.461 -120.53 -245.537 PRESSAVG: 3734400 10.3427 -17.0566 32.9755 -17.0566 5.46274 -28.8593 32.9755 -28.8593 -2.93204 GPRESSAVG: 3734400 10.3612 -20.7543 34.6596 -16.9148 4.93235 -29.937 32.036 -30.9603 -2.84822 TIMING: 3734400 CPU: 11864.4, 0.00315224/step Wall: 11864.4, 0.00315224/step, 1.10819 hours remaining, 240.808594 MB of memory in use. ENERGY: 3734400 3986.4577 20620.2563 14447.1639 249.3447 -203441.1327 2648.6631 0.0000 0.0000 52147.9899 -109341.2571 299.6952 -161489.2469 -108969.7876 299.9706 21.5910 45.1286 760576.7511 4.2911 4.1485 PRESSURE: 3734600 -32.7626 210.026 177.859 210.025 -165.973 77.6642 177.86 77.6642 446.371 GPRESSURE: 3734600 -54.107 187.877 99.8379 222.823 -13.7178 75.8533 215.446 115.707 407.625 PRESSAVG: 3734600 44.4876 21.7603 39.2788 21.7603 -12.8983 -13.2401 39.2787 -13.2401 4.23219 GPRESSAVG: 3734600 44.1791 23.5458 39.4441 23.6014 -11.7727 -11.3137 41.0323 -14.7685 4.87616 TIMING: 3734600 CPU: 11865, 0.00315833/step Wall: 11865, 0.00315833/step, 1.11015 hours remaining, 240.808594 MB of memory in use. ENERGY: 3734600 3964.2410 20553.4856 14444.8532 239.7080 -203326.1458 2416.0939 0.0000 0.0000 52166.0238 -109541.7402 299.7989 -161707.7640 -109176.2210 299.3937 82.5451 113.2666 760442.2302 11.9405 12.4275 PRESSURE: 3734800 -240.744 -44.6592 -187.603 -44.66 59.5753 -100.549 -187.603 -100.547 14.5721 GPRESSURE: 3734800 -256.804 -59.5779 -188.918 -8.04823 119.067 -84.0795 -107.978 42.1606 51.3566 PRESSAVG: 3734800 -18.601 -0.314768 17.8822 -0.314755 -14.5452 3.1113 17.8822 3.1113 -1.86489 GPRESSAVG: 3734800 -18.0156 0.306172 18.7482 -1.34696 -15.6203 2.65972 16.9241 4.96866 -1.50218 TIMING: 3734800 CPU: 11865.6, 0.00316877/step Wall: 11865.6, 0.00316877/step, 1.11365 hours remaining, 240.808594 MB of memory in use. ENERGY: 3734800 3935.0886 20590.7929 14485.2101 249.3980 -203270.9188 2385.1984 0.0000 0.0000 52011.4675 -109613.7633 298.9106 -161625.2308 -109253.5880 299.2359 -55.5323 -28.7935 758938.6035 -11.6704 -11.7127 PRESSURE: 3735000 603.416 -90.7037 -351.433 -90.7036 -5.45181 -45.3496 -351.432 -45.3499 157.301 GPRESSURE: 3735000 635.318 -89.2786 -300.097 -143.636 57.7847 -97.3587 -278.464 -76.2948 137.637 PRESSAVG: 3735000 60.2588 -16.336 -9.57611 -16.3361 -6.8736 -22.3065 -9.57607 -22.3066 -5.49771 GPRESSAVG: 3735000 60.2531 -16.0503 -9.86628 -16.4754 -5.95155 -21.6509 -11.4636 -23.9841 -5.988 TIMING: 3735000 CPU: 11866.3, 0.00317213/step Wall: 11866.3, 0.00317213/step, 1.11465 hours remaining, 240.808594 MB of memory in use. ENERGY: 3735000 3933.8052 20513.5456 14494.6757 238.8808 -203509.3042 2423.8540 0.0000 0.0000 52176.2808 -109728.2622 299.8578 -161904.5430 -109364.9061 298.9601 251.7551 276.9133 759131.0362 15.9625 16.1045 PRESSURE: 3735200 33.3726 46.3043 -0.0772412 46.3031 -190.788 -84.7154 -0.0763128 -84.7162 287.94 GPRESSURE: 3735200 63.5817 83.1951 -4.4281 27.5287 -118.59 -154.705 44.1347 -116.493 271.179 PRESSAVG: 3735200 37.4552 -57.322 -18.636 -57.322 -17.5108 0.0893726 -18.6361 0.0893886 -18.7777 GPRESSAVG: 3735200 37.2565 -57.501 -18.9732 -56.7395 -17.5748 -1.11911 -16.8232 0.71483 -18.6266 TIMING: 3735200 CPU: 11866.9, 0.00317801/step Wall: 11866.9, 0.00317801/step, 1.11654 hours remaining, 240.808594 MB of memory in use. ENERGY: 3735200 3923.4375 20477.3508 14532.7986 235.7728 -203539.5802 2498.1229 0.0000 0.0000 52007.4067 -109864.6908 298.8873 -161872.0975 -109499.8194 298.5017 43.5081 72.0567 759753.2869 0.3889 0.3517 PRESSURE: 3735400 -241.335 116.611 -11.2966 116.612 118.952 -135.013 -11.2974 -135.012 83.7348 GPRESSURE: 3735400 -122.736 3.90751 -46.75 -4.4971 135.027 -118.287 -17.7957 17.8069 41.1238 PRESSAVG: 3735400 -18.7963 -60.761 -17.2371 -60.761 -24.9322 -24.9995 -17.237 -24.9995 -1.81369 GPRESSAVG: 3735400 -17.9479 -61.9395 -20.096 -60.3928 -25.4739 -24.0178 -17.2343 -23.8004 -2.09499 TIMING: 3735400 CPU: 11867.5, 0.00317788/step Wall: 11867.5, 0.00317788/step, 1.11632 hours remaining, 240.808594 MB of memory in use. ENERGY: 3735400 4032.8046 20514.4422 14482.6230 246.3290 -203376.9460 2435.9204 0.0000 0.0000 51982.8769 -109681.9500 298.7463 -161664.8269 -109326.3042 299.1404 -12.8826 17.8049 760654.7085 -15.1807 -15.1722 PRESSURE: 3735600 58.9781 -205.86 -256.318 -205.862 -61.8799 114.544 -256.318 114.544 -1.76132 GPRESSURE: 3735600 157.135 -83.4813 -244.886 -254.43 -33.4203 123.834 -335.086 49.5288 -30.1501 PRESSAVG: 3735600 2.42509 -92.0799 -30.5948 -92.0799 7.76566 8.05035 -30.5948 8.05031 -15.2773 GPRESSAVG: 3735600 1.88654 -92.6405 -28.3043 -92.007 7.4196 5.66784 -30.2706 8.92367 -14.7976 TIMING: 3735600 CPU: 11868.2, 0.00317705/step Wall: 11868.2, 0.00317705/step, 1.11585 hours remaining, 240.808594 MB of memory in use. ENERGY: 3735600 4027.4305 20437.6607 14445.2640 234.9817 -203254.6402 2490.2964 0.0000 0.0000 51773.0616 -109845.9454 297.5405 -161619.0070 -109491.0079 298.6490 -1.5544 31.1880 762062.8580 -1.6955 -1.8305 PRESSURE: 3735800 -224.883 -9.58814 69.728 -9.58849 -179.801 93.4907 69.7281 93.4902 -11.0414 GPRESSURE: 3735800 -190.671 -86.6317 49.1071 22.75 -48.3256 60.1808 21.2518 126.224 -86.3278 PRESSAVG: 3735800 20.3389 -68.2563 21.3497 -68.2564 16.5547 -26.678 21.3496 -26.6779 -11.6333 GPRESSAVG: 3735800 20.9986 -66.0267 20.1195 -67.504 16.2537 -24.7377 21.9017 -28.9566 -12.1741 TIMING: 3735800 CPU: 11868.8, 0.0031534/step Wall: 11868.8, 0.0031534/step, 1.10737 hours remaining, 240.808594 MB of memory in use. ENERGY: 3735800 4044.0616 20630.2591 14443.0555 260.0246 -203569.2311 2586.2275 0.0000 0.0000 51962.9967 -109642.6060 298.6321 -161605.6027 -109292.9390 299.2291 -138.5753 -108.4414 761596.6660 8.4201 8.3594 PRESSURE: 3736000 98.1447 76.7093 128.893 76.7095 120.107 -216.382 128.893 -216.381 -314.506 GPRESSURE: 3736000 204.528 148.265 154.025 8.77388 132.11 -132.877 93.1792 -161.824 -358.43 PRESSAVG: 3736000 38.6283 20.1695 22.6364 20.1695 -29.7168 7.35615 22.6364 7.35613 3.14795 GPRESSAVG: 3736000 37.5154 20.6962 23.0788 17.2668 -28.8988 7.68735 21.6795 5.86532 3.06089 TIMING: 3736000 CPU: 11869.4, 0.00316583/step Wall: 11869.4, 0.00316583/step, 1.11156 hours remaining, 240.808594 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: 3736000 4084.7271 20593.2831 14484.7430 249.4908 -203664.9363 2812.6121 0.0000 0.0000 51971.0676 -109469.0126 298.6784 -161440.0803 -109113.4545 299.4398 -32.0848 -7.2639 760360.8953 4.0198 3.8925 PRESSURE: 3736200 40.8663 -157.298 -132.932 -157.298 36.5405 134.421 -132.932 134.419 -452.019 GPRESSURE: 3736200 123.044 -72.1677 -189.02 -113.858 15.5707 71.3276 -42.9559 266.391 -439.962 PRESSAVG: 3736200 31.2247 -52.916 46.1555 -52.916 -31.4169 17.6743 46.1555 17.6743 -8.52056 GPRESSAVG: 3736200 31.793 -54.3682 45.3867 -53.9892 -33.6243 16.3082 46.2708 20.9299 -7.4153 TIMING: 3736200 CPU: 11870.1, 0.00316207/step Wall: 11870.1, 0.00316207/step, 1.11006 hours remaining, 240.808594 MB of memory in use. ENERGY: 3736200 4012.7302 20567.9348 14463.9012 242.1321 -202916.7376 2208.4193 0.0000 0.0000 52076.5844 -109345.0356 299.2848 -161421.6200 -108982.0277 300.0876 -124.8707 -100.4492 761895.1104 -2.9042 -3.0822 LDB: ============= START OF LOAD BALANCING ============== 11882.5 LDB: ============== END OF LOAD BALANCING =============== 11882.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11882.5 LDB: ============= START OF LOAD BALANCING ============== 11882.8 LDB: Largest compute 7047 load 0.033828 is 17.3% of average load 0.195378 LDB: Average compute 0.004385 is 2.2% of average load 0.195378 LDB: TIME 11882.8 LOAD: AVG 0.195378 MAX 0.215524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 11882.8 LOAD: AVG 0.195378 MAX 0.215524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 11882.8 LOAD: AVG 0.195378 MAX 0.215524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 11882.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11882.9 PRESSURE: 3736400 -470.656 12.4445 23.8678 12.4448 -354.077 -11.8352 23.8676 -11.8356 -57.7944 GPRESSURE: 3736400 -380.073 24.5066 34.72 91.8629 -371.821 -59.302 54.7388 -166.667 -36.1353 PRESSAVG: 3736400 81.9696 -4.07119 30.0349 -4.07124 -131.332 -16.8129 30.0349 -16.8129 16.1959 GPRESSAVG: 3736400 82.8812 -4.17958 31.8995 -0.926366 -130.372 -14.9241 28.0444 -19.7388 14.7975 TIMING: 3736400 CPU: 11870.7, 0.0032199/step Wall: 11870.7, 0.0032199/step, 1.13018 hours remaining, 240.867188 MB of memory in use. ENERGY: 3736400 4017.1603 20569.7590 14406.5630 244.1004 -202717.2443 1867.8860 0.0000 0.0000 52368.0107 -109243.7650 300.9597 -161611.7757 -108869.7781 299.9252 -294.1760 -262.6762 761284.6908 -11.0556 -10.8979 PRESSURE: 3736600 4.86108 -212.51 216.253 -212.51 38.872 18.3918 216.252 18.3914 -312.498 GPRESSURE: 3736600 1.77669 -183.189 227.279 -168.569 91.296 26.1716 147.296 49.221 -274.439 PRESSAVG: 3736600 -23.4377 -84.8026 30.4173 -84.8025 -27.6674 68.554 30.4174 68.5539 -21.8384 GPRESSAVG: 3736600 -23.8109 -84.7296 29.8277 -85.0094 -28.1955 65.7876 32.1958 69.5429 -21.5461 TIMING: 3736600 CPU: 11871.3, 0.00315663/step Wall: 11871.3, 0.00315663/step, 1.1078 hours remaining, 240.867188 MB of memory in use. ENERGY: 3736600 3972.4517 20634.7148 14498.9221 228.7780 -203248.1363 2472.1763 0.0000 0.0000 52036.3252 -109404.7682 299.0535 -161441.0934 -109044.7334 299.7515 -89.5883 -60.4554 760489.5432 -24.3145 -24.5175 PRESSURE: 3736800 284.479 -0.941448 354.354 -0.941943 -18.6176 -14.7108 354.354 -14.7113 113.716 GPRESSURE: 3736800 405.799 35.6024 277.328 27.6421 -40.1355 -7.10908 272.406 -71.1889 103.154 PRESSAVG: 3736800 10.249 -70.1344 64.6529 -70.1343 -18.9945 39.7879 64.6528 39.7879 7.60148 GPRESSAVG: 3736800 8.24493 -68.3307 62.6053 -70.008 -17.7364 40.1813 66.8872 42.0874 8.16889 TIMING: 3736800 CPU: 11872, 0.00317647/step Wall: 11872, 0.00317647/step, 1.11459 hours remaining, 240.867188 MB of memory in use. ENERGY: 3736800 4039.4067 20575.4707 14420.7513 242.7250 -203543.3492 2840.1186 0.0000 0.0000 51984.0825 -109440.7944 298.7532 -161424.8769 -109079.1692 299.7693 126.5257 156.2725 760816.2372 -0.3814 -0.4409 PRESSURE: 3737000 -107.792 80.0154 -165.282 80.0164 -129.171 -43.3888 -165.281 -43.388 256.602 GPRESSURE: 3737000 -8.02098 33.6854 -147.391 127.291 -107.678 -39.1052 -172.569 -40.2041 222.197 PRESSAVG: 3737000 -0.499189 -29.9279 21.9712 -29.928 -46.7539 33.4947 21.9712 33.4947 -11.9555 GPRESSAVG: 3737000 0.178647 -31.4914 22.8711 -30.8819 -47.1691 34.1477 19.6888 32.4445 -11.5444 TIMING: 3737000 CPU: 11872.6, 0.0031649/step Wall: 11872.6, 0.0031649/step, 1.11035 hours remaining, 240.867188 MB of memory in use. ENERGY: 3737000 3917.5695 20462.9611 14397.3489 254.8132 -203203.8853 2520.5881 0.0000 0.0000 52082.3426 -109568.2620 299.3179 -161650.6046 -109193.4369 299.1233 6.5460 35.4993 761970.4185 -19.7362 -19.5116 PRESSURE: 3737200 146.074 -49.3007 -442.503 -49.3011 -89.7087 -159.4 -442.504 -159.401 176.445 GPRESSURE: 3737200 141.884 -26.5084 -364.426 -0.430829 -42.3021 -197.686 -270.706 -158.436 196.357 PRESSAVG: 3737200 16.4021 17.08 -15.3933 17.08 -8.17162 -1.06265 -15.3932 -1.06261 11.371 GPRESSAVG: 3737200 16.8808 13.5714 -14.5118 17.2806 -8.48253 0.227738 -13.9641 -2.52621 10.537 TIMING: 3737200 CPU: 11873.2, 0.00316816/step Wall: 11873.2, 0.00316816/step, 1.11132 hours remaining, 240.867188 MB of memory in use. ENERGY: 3737200 3984.9025 20623.4224 14418.0418 259.7570 -203556.1344 2555.0500 0.0000 0.0000 51936.7469 -109778.2138 298.4812 -161714.9607 -109421.6877 299.1138 77.6034 98.6463 760954.5285 6.5338 6.3117 PRESSURE: 3737400 63.1188 84.9057 137.962 84.9058 62.9748 -212.472 137.961 -212.471 282.418 GPRESSURE: 3737400 107.26 91.4599 191.543 36.036 101.768 -220.748 123.427 -205.496 284.237 PRESSAVG: 3737400 9.0348 -33.9203 -0.565751 -33.9203 -0.462416 -12.929 -0.565873 -12.929 18.1325 GPRESSAVG: 3737400 8.97553 -32.0164 -2.12253 -34.005 0.0871369 -13.7555 -0.3883 -11.2992 18.0419 TIMING: 3737400 CPU: 11873.9, 0.00313683/step Wall: 11873.9, 0.00313683/step, 1.10016 hours remaining, 240.867188 MB of memory in use. ENERGY: 3737400 4018.3929 20657.0037 14388.7354 247.2005 -203339.8008 2567.6349 0.0000 0.0000 51913.9810 -109546.8525 298.3504 -161460.8334 -109185.8150 298.8196 136.1706 164.4216 761261.5327 8.9016 9.0349 PRESSURE: 3737600 -252.806 -118.17 -25.3145 -118.169 -224.791 75.0617 -25.3138 75.061 -67.6816 GPRESSURE: 3737600 -189.186 -217.766 -37.0161 -103.754 -192.725 138.897 9.14088 -28.7909 -87.8856 PRESSAVG: 3737600 -17.6729 -59.4906 55.5687 -59.4906 70.7176 -24.9487 55.5687 -24.9487 -19.2055 GPRESSAVG: 3737600 -19.2818 -59.6064 55.2467 -60.6813 71.6352 -24.735 57.0182 -26.3913 -18.4454 TIMING: 3737600 CPU: 11874.5, 0.00315418/step Wall: 11874.5, 0.00315418/step, 1.10607 hours remaining, 240.867188 MB of memory in use. ENERGY: 3737600 4005.2512 20453.0081 14500.9952 261.7632 -203288.8838 2486.6490 0.0000 0.0000 51985.2523 -109595.9648 298.7600 -161581.2171 -109224.4686 299.5088 -181.7597 -156.5987 759764.2946 11.2797 11.3027 PRESSURE: 3737800 216.418 78.0209 12.4193 78.0207 134.864 318.436 12.419 318.438 -68.8522 GPRESSURE: 3737800 300.145 228.726 -36.5705 19.9302 62.1915 316.159 -43.4887 111.677 -4.49144 PRESSAVG: 3737800 51.8034 16.8596 -35.8416 16.8596 -60.0011 -29.0992 -35.8416 -29.0992 -4.24774 GPRESSAVG: 3737800 53.2622 17.9515 -34.1816 18.1231 -62.0623 -28.8222 -37.2997 -28.9869 -4.47389 TIMING: 3737800 CPU: 11875.1, 0.00316887/step Wall: 11875.1, 0.00316887/step, 1.11104 hours remaining, 240.867188 MB of memory in use. ENERGY: 3737800 3978.8216 20519.4528 14462.0528 224.2840 -203638.5536 2799.9837 0.0000 0.0000 51882.5045 -109771.4541 298.1695 -161653.9586 -109412.4155 298.8014 94.1434 119.2818 761258.8762 -4.1485 -4.4247 PRESSURE: 3738000 58.5451 41.6962 13.1638 41.6969 -185.125 116.687 13.1646 116.687 -47.3301 GPRESSURE: 3738000 30.364 32.9018 -10.9002 -0.820889 -172.023 125.032 -42.9927 57.3463 63.7976 PRESSAVG: 3738000 72.6677 -41.9126 -6.16833 -41.9126 -66.1701 38.9307 -6.16831 38.9307 18.1507 GPRESSAVG: 3738000 71.5706 -40.9335 -8.08031 -42.9508 -65.484 39.6531 -6.80597 37.1809 18.4923 TIMING: 3738000 CPU: 11875.8, 0.003158/step Wall: 11875.8, 0.003158/step, 1.10705 hours remaining, 240.867188 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: 3738000 4027.3315 20477.1925 14437.3113 227.5300 -203634.2896 2586.5478 0.0000 0.0000 52051.5929 -109826.7837 299.1412 -161878.3765 -109467.0747 298.6468 -57.9699 -25.9537 759648.4291 8.2161 8.1930 PRESSURE: 3738200 -156.112 -84.9276 49.9246 -84.9283 -147.05 -34.93 49.9243 -34.9307 -52.6359 GPRESSURE: 3738200 -104.893 -80.6425 104.315 -112.245 -65.6798 47.9911 -23.2077 -101.862 -93.4733 PRESSAVG: 3738200 3.34828 -23.007 41.2671 -23.007 22.7252 34.6353 41.2671 34.6354 -12.0638 GPRESSAVG: 3738200 5.12022 -25.7121 41.3379 -21.9689 23.0476 31.8511 41.0771 35.8983 -13.4935 TIMING: 3738200 CPU: 11876.4, 0.00316122/step Wall: 11876.4, 0.00316122/step, 1.10801 hours remaining, 240.867188 MB of memory in use. ENERGY: 3738200 3965.9324 20385.9223 14379.6679 238.4070 -204002.0126 2852.7086 0.0000 0.0000 52082.6587 -110096.7157 299.3198 -162179.3743 -109736.2346 298.1136 -118.5993 -88.0155 759622.2311 4.6699 4.8914 PRESSURE: 3738400 306.027 -130.822 52.7394 -130.822 -175.175 14.6697 52.7404 14.6697 -71.8044 GPRESSURE: 3738400 248.111 -47.9789 47.7288 0.696856 -75.6244 57.1528 30.419 43.4757 -43.3536 PRESSAVG: 3738400 -4.08657 -42.4175 18.2634 -42.4176 9.98409 8.95018 18.2634 8.95012 21.2112 GPRESSAVG: 3738400 -5.1916 -40.5565 21.1105 -42.2678 11.0995 10.8334 17.9093 11.0715 20.7793 TIMING: 3738400 CPU: 11877, 0.00317056/step Wall: 11877, 0.00317056/step, 1.11111 hours remaining, 240.867188 MB of memory in use. ENERGY: 3738400 3945.1873 20463.5363 14475.5438 244.9585 -203676.2072 2534.9912 0.0000 0.0000 51857.4489 -110154.5411 298.0255 -162011.9900 -109790.8910 298.7408 19.6825 43.0444 761470.6802 9.0362 8.8957 PRESSURE: 3738600 -138.443 -50.4319 95.684 -50.4322 -45.5324 195.114 95.684 195.114 72.2378 GPRESSURE: 3738600 -102.838 -133.011 115.89 17.5154 28.5932 289.648 119.528 162.397 44.1299 PRESSAVG: 3738600 -5.00856 -26.5342 21.9094 -26.5342 -11.3395 18.0404 21.9094 18.0404 6.78316 GPRESSAVG: 3738600 -5.73674 -26.9212 20.7847 -27.7679 -11.313 17.6048 22.5189 19.3564 6.90812 TIMING: 3738600 CPU: 11877.7, 0.00318895/step Wall: 11877.7, 0.00318895/step, 1.11737 hours remaining, 240.867188 MB of memory in use. ENERGY: 3738600 3999.6587 20439.5614 14412.5873 238.1356 -203503.2774 2459.4634 0.0000 0.0000 51970.9969 -109982.8740 298.6780 -161953.8709 -109619.0008 298.1643 -37.2457 -10.0381 759692.1930 -3.1883 -3.3805 PRESSURE: 3738800 93.6104 121.791 103.773 121.791 132.122 -92.9279 103.773 -92.9263 325.233 GPRESSURE: 3738800 171.332 19.829 93.3796 161.769 114.301 -98.5781 217.768 -197.164 367.89 PRESSAVG: 3738800 91.9301 3.17454 -23.7653 3.17458 -62.5068 -4.64093 -23.7653 -4.64086 -3.57472 GPRESSAVG: 3738800 92.6083 2.23143 -23.4783 5.03268 -63.7592 -4.00459 -23.3132 -6.86455 -3.03458 TIMING: 3738800 CPU: 11878.3, 0.00316202/step Wall: 11878.3, 0.00316202/step, 1.10776 hours remaining, 240.867188 MB of memory in use. ENERGY: 3738800 4035.0970 20521.2281 14319.9436 239.3047 -203741.7935 2772.3274 0.0000 0.0000 51819.1349 -110034.7578 297.8053 -161853.8928 -109681.0422 298.2190 183.6553 217.8408 759332.1093 8.6162 8.6049 PRESSURE: 3739000 38.1799 -96.9816 -98.3775 -96.9816 244.498 127.808 -98.3778 127.808 -45.3858 GPRESSURE: 3739000 90.0474 -49.9134 -64.6155 -136.808 300.264 83.1178 -84.673 190.597 -70.1876 PRESSAVG: 3739000 -19.0792 -14.6009 -28.2449 -14.6009 11.4671 23.6621 -28.2449 23.6622 -16.3981 GPRESSAVG: 3739000 -19.0985 -13.4716 -27.7515 -16.1171 12.3668 23.0862 -29.6199 25.7765 -17.3133 TIMING: 3739000 CPU: 11878.9, 0.00317218/step Wall: 11878.9, 0.00317218/step, 1.11114 hours remaining, 240.867188 MB of memory in use. ENERGY: 3739000 3960.4639 20401.7287 14352.2713 245.2474 -203597.3899 2671.7735 0.0000 0.0000 51905.6267 -110060.2784 298.3023 -161965.9050 -109699.1162 297.7531 79.0972 106.7080 760779.5193 -8.0034 -8.0150 PRESSURE: 3739200 -109.639 -122.263 172.653 -122.263 -270.382 -204.889 172.653 -204.889 -63.1029 GPRESSURE: 3739200 -208.588 -13.2311 193.166 -9.48926 -143.372 -84.9753 81.9753 -164.855 -11.2675 PRESSAVG: 3739200 27.7666 24.0334 -7.47799 24.0334 -46.1023 33.0832 -7.47801 33.0832 -2.85403 GPRESSAVG: 3739200 28.1483 23.5853 -8.72629 27.1321 -47.5447 33.8195 -6.86471 30.2732 -1.74889 TIMING: 3739200 CPU: 11879.6, 0.00315094/step Wall: 11879.6, 0.00315094/step, 1.10353 hours remaining, 240.867188 MB of memory in use. ENERGY: 3739200 3951.2707 20432.4656 14421.1289 221.6800 -203273.5956 2459.6042 0.0000 0.0000 51876.7430 -109910.7033 298.1364 -161787.4463 -109553.8128 298.0230 -147.7081 -121.0758 760885.4599 -7.0632 -7.0484 PRESSURE: 3739400 -211.243 -82.7948 -47.9191 -82.7946 -144.428 13.298 -47.919 13.299 -127 GPRESSURE: 3739400 -141.6 -160.487 119.488 -10.4008 -115.695 41.9111 -111.008 -21.0918 -160.434 PRESSAVG: 3739400 -12.4733 -32.7011 33.4243 -32.7011 13.1505 6.60198 33.4243 6.60197 -1.37345 GPRESSAVG: 3739400 -13.578 -32.7222 35.0524 -35.2062 13.6997 6.73467 33.529 5.79315 -1.03499 TIMING: 3739400 CPU: 11880.2, 0.00314452/step Wall: 11880.2, 0.00314452/step, 1.10111 hours remaining, 240.867188 MB of memory in use. ENERGY: 3739400 3966.9894 20572.5884 14405.5199 235.0839 -203693.8684 2390.7543 0.0000 0.0000 52024.6694 -110098.2631 298.9865 -162122.9324 -109734.7667 298.3191 -160.8906 -139.2430 760623.5128 -0.2321 -0.3044 PRESSURE: 3739600 -59.9208 -126.676 19.4106 -126.675 -77.4138 -112.26 19.411 -112.259 -278.06 GPRESSURE: 3739600 -35.7484 -107.866 49.0378 -155.114 -60.434 -198.501 88.2991 -71.3735 -248.204 PRESSAVG: 3739600 32.074 -11.1511 -8.45413 -11.151 -38.0573 -32.9749 -8.45412 -32.9749 2.92132 GPRESSAVG: 3739600 33.1633 -11.7045 -9.5426 -10.8139 -37.1719 -32.9745 -6.33309 -32.0739 1.56145 TIMING: 3739600 CPU: 11880.8, 0.00317159/step Wall: 11880.8, 0.00317159/step, 1.11041 hours remaining, 240.867188 MB of memory in use. ENERGY: 3739600 4060.9673 20484.5312 14449.4789 241.9676 -203509.3475 2430.0060 0.0000 0.0000 51938.8452 -109903.5513 298.4933 -161842.3965 -109545.8308 297.7772 -138.4649 -114.7955 760964.0140 -1.0207 -0.8157 PRESSURE: 3739800 -41.7374 51.8075 143.636 51.8066 -237.653 -127.415 143.636 -127.414 274.141 GPRESSURE: 3739800 -45.2461 184.265 125.851 152.045 -208.652 -226.072 195.912 -38.4295 323.962 PRESSAVG: 3739800 0.833601 6.62206 46.6857 6.62204 7.46255 -33.417 46.6857 -33.417 -2.54491 GPRESSAVG: 3739800 -0.0234537 6.20802 45.7623 7.80037 7.09611 -32.8138 45.8988 -31.9234 -1.50024 TIMING: 3739800 CPU: 11881.5, 0.00314817/step Wall: 11881.5, 0.00314817/step, 1.10203 hours remaining, 240.867188 MB of memory in use. ENERGY: 3739800 3951.8165 20589.4354 14452.4329 237.6666 -203447.7801 2380.8638 0.0000 0.0000 51918.5857 -109916.9793 298.3768 -161835.5650 -109553.7746 298.6673 -1.7498 23.3545 760014.9563 1.9171 1.8575 PRESSURE: 3740000 172.692 154.892 -39.4577 154.892 -210.186 -98.9388 -39.4581 -98.9379 -184.781 GPRESSURE: 3740000 142.943 60.9314 -76.2931 129.011 -158.241 -75.9895 -165.294 -113.294 -111.138 PRESSAVG: 3740000 24.1607 25.6087 23.1476 25.6088 -14.962 4.76723 23.1476 4.76727 33.3581 GPRESSAVG: 3740000 23.8479 28.5314 24.6798 25.7001 -14.9269 3.62944 22.4101 5.09768 33.6876 TIMING: 3740000 CPU: 11882.1, 0.00316408/step Wall: 11882.1, 0.00316408/step, 1.10743 hours remaining, 240.867188 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: 3740000 4021.0609 20567.5635 14477.4533 240.4701 -203481.4063 2352.5838 0.0000 0.0000 51884.2989 -109937.9759 298.1798 -161822.2748 -109589.7290 298.5485 -74.0917 -42.1450 761317.0974 14.1856 14.2029 PRESSURE: 3740200 12.837 -84.3556 -72.2662 -84.3558 -226.383 -52.1083 -72.2663 -52.1083 -198.363 GPRESSURE: 3740200 -11.8182 -61.6219 -82.9614 -9.4634 -106.152 -29.2006 -71.8336 -155.521 -198.055 PRESSAVG: 3740200 -42.6439 -18.9131 45.3158 -18.9131 41.7276 2.33226 45.3159 2.33235 -14.0034 GPRESSAVG: 3740200 -41.9389 -19.0308 44.0943 -22.1855 42.2623 3.86576 44.8026 1.58933 -14.5997 TIMING: 3740200 CPU: 11882.7, 0.00315053/step Wall: 11882.7, 0.00315053/step, 1.10251 hours remaining, 240.867188 MB of memory in use. ENERGY: 3740200 3970.5695 20463.7378 14413.6153 253.5340 -203766.9920 2851.3423 0.0000 0.0000 51926.1674 -109888.0255 298.4204 -161814.1929 -109519.1370 298.3836 -137.3029 -105.3418 761266.8865 -4.9733 -4.7588 LDB: ============= START OF LOAD BALANCING ============== 11895.2 LDB: ============== END OF LOAD BALANCING =============== 11895.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11895.2 LDB: ============= START OF LOAD BALANCING ============== 11895.5 LDB: Largest compute 7034 load 0.032659 is 16.7% of average load 0.195357 LDB: Average compute 0.004378 is 2.2% of average load 0.195357 LDB: TIME 11895.5 LOAD: AVG 0.195357 MAX 0.213961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 11895.5 LOAD: AVG 0.195357 MAX 0.213961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 11895.5 LOAD: AVG 0.195357 MAX 0.213961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 11895.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11895.5 PRESSURE: 3740400 155.591 77.6269 -61.6683 77.6267 -29.2818 146.286 -61.6676 146.286 -223.17 GPRESSURE: 3740400 182.425 101.391 -42.0128 4.01671 43.1302 81.3943 42.8066 -3.0376 -222.54 PRESSAVG: 3740400 -17.1159 -29.513 15.1487 -29.513 75.7701 53.4596 15.1488 53.4596 36.2946 GPRESSAVG: 3740400 -16.9968 -31.4068 15.4936 -27.0253 74.8157 51.8731 16.0085 50.8176 36.9489 TIMING: 3740400 CPU: 11883.4, 0.00322622/step Wall: 11883.4, 0.00322622/step, 1.12882 hours remaining, 239.949219 MB of memory in use. ENERGY: 3740400 3907.6715 20445.6549 14432.6268 238.1985 -203702.0561 2813.6476 0.0000 0.0000 52103.5006 -109760.7562 299.4395 -161864.2568 -109396.0012 299.0168 -32.2867 1.0052 761112.8209 31.6496 31.5893 PRESSURE: 3740600 -220.76 -115.483 -67.7909 -115.484 -187.252 292.757 -67.7922 292.757 51.9966 GPRESSURE: 3740600 -206.507 -98.0279 -45.1273 -102.826 -181.986 309.882 -125.129 253.223 99.4706 PRESSAVG: 3740600 -6.46797 -26.3714 -8.55614 -26.3714 57.9466 -1.53688 -8.5561 -1.53688 23.1755 GPRESSAVG: 3740600 -6.37551 -25.3704 -8.10845 -24.4688 58.5591 -1.24049 -8.70842 -1.89914 23.0111 TIMING: 3740600 CPU: 11884, 0.00316893/step Wall: 11884, 0.00316893/step, 1.1086 hours remaining, 239.957031 MB of memory in use. ENERGY: 3740600 3981.0874 20514.1769 14487.3260 274.2172 -203631.9699 2417.3979 0.0000 0.0000 51992.1254 -109965.6392 298.7995 -161957.7646 -109606.1340 298.9037 -118.6717 -96.3409 760140.4489 24.8847 25.0649 PRESSURE: 3740800 -176.431 69.0467 -176.168 69.0458 -136.877 -25.3428 -176.168 -25.3427 -174.471 GPRESSURE: 3740800 -177.988 46.388 -161.467 79.8704 -12.5405 21.9836 -136.588 68.4622 -223.836 PRESSAVG: 3740800 15.5543 -32.8456 -33.9753 -32.8456 -6.1773 -7.6698 -33.9753 -7.66975 11.8477 GPRESSAVG: 3740800 15.0031 -34.4603 -35.7973 -36.1635 -6.62923 -6.81022 -31.8747 -5.84363 12.613 TIMING: 3740800 CPU: 11884.6, 0.00315591/step Wall: 11884.6, 0.0031559/step, 1.10387 hours remaining, 239.957031 MB of memory in use. ENERGY: 3740800 3938.8712 20525.6070 14425.0344 247.4602 -203498.6874 2547.5425 0.0000 0.0000 51634.2513 -110179.9208 296.7428 -161814.1721 -109820.7067 298.0569 -162.5932 -138.1215 761077.8889 7.0749 6.9956 PRESSURE: 3741000 -271.344 -14.9161 125.376 -14.9166 143.943 189.723 125.375 189.724 -300.663 GPRESSURE: 3741000 -155.598 -121.426 22.8921 82.2769 120.938 208.694 142.04 203.478 -312.581 PRESSAVG: 3741000 26.2049 24.7574 24.1171 24.7574 -52.9398 46.7949 24.1171 46.7949 13.3405 GPRESSAVG: 3741000 26.7206 24.2737 26.319 27.9482 -52.8795 45.1601 21.7044 47.1323 12.1981 TIMING: 3741000 CPU: 11885.3, 0.00314709/step Wall: 11885.3, 0.00314709/step, 1.10061 hours remaining, 239.957031 MB of memory in use. ENERGY: 3741000 4020.6796 20410.7125 14368.3216 232.0005 -204123.1905 2956.3372 0.0000 0.0000 51889.6825 -110245.4566 298.2107 -162135.1392 -109890.7088 297.4909 -142.6876 -115.7467 761066.7785 -4.4648 -4.6536 PRESSURE: 3741200 -235.643 136.779 -61.3885 136.78 -169.794 -102.932 -61.3887 -102.931 -87.7918 GPRESSURE: 3741200 -234.52 72.3796 -25.1197 94.4969 -138.612 -195.379 24.9552 -46.3573 -45.2749 PRESSAVG: 3741200 2.90134 26.5939 23.5684 26.5938 19.3059 40.1288 23.5684 40.1288 -0.958663 GPRESSAVG: 3741200 3.44151 26.6655 22.3505 24.8689 18.3427 40.0391 25.9725 42.0686 -0.804823 TIMING: 3741200 CPU: 11885.9, 0.00314725/step Wall: 11885.9, 0.00314725/step, 1.10049 hours remaining, 239.957031 MB of memory in use. ENERGY: 3741200 3914.8495 20297.4304 14441.4568 225.1221 -203871.9298 2541.6123 0.0000 0.0000 52036.8635 -110414.5952 299.0566 -162451.4586 -110047.4979 297.7041 -164.4094 -139.4690 760099.5743 7.0828 6.9931 PRESSURE: 3741400 -261.94 67.1042 -11.4402 67.1035 104.144 -168.896 -11.4409 -168.894 -98.1734 GPRESSURE: 3741400 -216.089 118.224 41.8398 122.251 113.503 -203.337 -55.5487 -132.094 -64.7226 PRESSAVG: 3741400 -2.43769 -0.224675 -37.5577 -0.224685 -32.5475 69.772 -37.5577 69.7719 -16.6411 GPRESSAVG: 3741400 -2.65036 0.648842 -36.0093 1.0647 -32.3473 71.1818 -41.0632 66.6357 -16.4516 TIMING: 3741400 CPU: 11886.5, 0.00316957/step Wall: 11886.5, 0.00316957/step, 1.10812 hours remaining, 239.957031 MB of memory in use. ENERGY: 3741400 4000.3069 20664.8415 14440.2268 255.9775 -204184.7898 2743.1165 0.0000 0.0000 51978.8078 -110101.5128 298.7229 -162080.3206 -109736.5476 297.7753 -85.3233 -55.7698 761244.4496 -17.2088 -17.1498 PRESSURE: 3741600 323.708 141.003 -156.303 141.004 128.976 -80.1397 -156.303 -80.1404 -97.3726 GPRESSURE: 3741600 375.039 215.914 -205.041 113.082 86.0009 -130.867 -79.9368 59.2056 -28.2684 PRESSAVG: 3741600 30.7096 -8.5717 -38.2213 -8.57169 6.48941 3.69535 -38.2213 3.69542 -12.5702 GPRESSAVG: 3741600 30.4653 -8.44676 -40.9469 -9.13907 5.38251 3.10613 -34.483 4.53502 -11.1956 TIMING: 3741600 CPU: 11887.2, 0.00316181/step Wall: 11887.2, 0.00316181/step, 1.10523 hours remaining, 239.957031 MB of memory in use. ENERGY: 3741600 3962.7117 20452.5468 14472.1079 230.0607 -204013.3350 2951.5819 0.0000 0.0000 52036.7355 -109907.5906 299.0558 -161944.3260 -109544.8343 298.5072 118.4370 144.2570 760780.7417 8.2096 8.2174 PRESSURE: 3741800 -18.2845 29.1653 -26.9985 29.1663 -87.5447 64.6549 -26.9984 64.6554 -272.356 GPRESSURE: 3741800 -5.3654 -60.1644 1.81096 27.3305 -48.196 109.859 -14.1226 21.7571 -232.442 PRESSAVG: 3741800 29.1134 -2.96639 22.7628 -2.96645 -7.79982 34.6951 22.7628 34.695 18.0241 GPRESSAVG: 3741800 27.7422 -3.03478 23.5529 -4.25232 -5.86349 35.9339 21.2962 32.9577 16.5363 TIMING: 3741800 CPU: 11887.8, 0.00316875/step Wall: 11887.8, 0.00316875/step, 1.10748 hours remaining, 239.957031 MB of memory in use. ENERGY: 3741800 4007.4874 20510.6170 14422.0076 239.3433 -203531.6073 2496.4353 0.0000 0.0000 52080.7936 -109774.9231 299.3090 -161855.7167 -109416.4470 298.5930 -126.0616 -95.3346 760758.5637 13.1126 12.8050 PRESSURE: 3742000 -72.4053 -235.838 -52.8555 -235.84 256.769 -25.1756 -52.8557 -25.1752 36.3086 GPRESSURE: 3742000 -65.3862 -148.92 -147.372 -115.342 254.632 -67.0027 -42.7201 -34.4625 106.423 PRESSAVG: 3742000 -5.23434 -3.12641 15.1745 -3.1264 -7.14117 -18.9217 15.1745 -18.9217 7.91626 GPRESSAVG: 3742000 -5.04342 -3.44178 15.4674 -1.5813 -7.34269 -20.3876 13.5926 -16.9116 7.56549 TIMING: 3742000 CPU: 11888.4, 0.00319123/step Wall: 11888.4, 0.00319123/step, 1.11516 hours remaining, 239.957031 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: 3742000 3931.2591 20708.3722 14477.7735 263.1054 -203866.4591 2725.3181 0.0000 0.0000 51864.5351 -109896.0957 298.0662 -161760.6308 -109537.1098 299.0852 73.5575 98.5563 761341.9350 -1.4864 -1.6069 PRESSURE: 3742200 -102.895 -25.0884 -113.318 -25.0883 -411.035 27.0656 -113.317 27.066 -399.599 GPRESSURE: 3742200 -85.742 41.6761 -79.836 -83.2113 -447.341 75.4687 -162.839 96.1223 -312.538 PRESSAVG: 3742200 56.7133 -51.1911 -46.7816 -51.1911 -16.2327 1.90607 -46.7816 1.9061 -3.44983 GPRESSAVG: 3742200 56.3528 -49.2217 -46.8329 -52.3549 -15.1903 1.38905 -43.2423 3.9618 -4.32609 TIMING: 3742200 CPU: 11889.1, 0.00316868/step Wall: 11889.1, 0.00316868/step, 1.1071 hours remaining, 239.957031 MB of memory in use. ENERGY: 3742200 3986.0422 20777.4834 14527.1163 254.7645 -203897.4656 2540.3966 0.0000 0.0000 51955.6821 -109855.9805 298.5900 -161811.6626 -109490.6654 298.5324 -304.5098 -281.8737 762043.8836 12.3436 12.2788 PRESSURE: 3742400 209.822 -241.579 -133.824 -241.579 -178.974 139.025 -133.825 139.027 -155.55 GPRESSURE: 3742400 274.467 -313.334 -202.393 -229.998 -191.664 188.335 45.438 281.815 -119.928 PRESSAVG: 3742400 35.9502 -24.9878 -13.9903 -24.9878 -82.4774 -14.7897 -13.9903 -14.7897 -18.9364 GPRESSAVG: 3742400 35.915 -28.3712 -13.4775 -22.5313 -84.0213 -13.3968 -15.5877 -16.3067 -17.9108 TIMING: 3742400 CPU: 11889.7, 0.00315995/step Wall: 11889.7, 0.00315995/step, 1.10388 hours remaining, 239.957031 MB of memory in use. ENERGY: 3742400 4007.8530 20489.3886 14522.0237 247.3267 -203459.2866 2671.5981 0.0000 0.0000 51759.0259 -109762.0706 297.4598 -161521.0965 -109391.7247 298.4618 -41.5676 -12.3751 761033.5144 -21.8212 -22.0057 PRESSURE: 3742600 370.195 128.58 231.404 128.579 56.4869 18.53 231.403 18.5296 -362.679 GPRESSURE: 3742600 302.139 272.119 199.839 113.915 178.787 13.7466 162.591 -73.157 -324.116 PRESSAVG: 3742600 23.1072 -39.8254 -12.4069 -39.8254 -40.8296 0.917821 -12.4069 0.917834 -7.9975 GPRESSAVG: 3742600 22.1575 -37.386 -13.7161 -42.4659 -39.7053 -0.622263 -11.0408 1.08231 -8.42728 TIMING: 3742600 CPU: 11890.3, 0.00315759/step Wall: 11890.3, 0.00315759/step, 1.10288 hours remaining, 239.957031 MB of memory in use. ENERGY: 3742600 4007.4144 20349.2438 14468.4729 263.8273 -203515.3284 2712.1569 0.0000 0.0000 52069.9807 -109644.2323 299.2469 -161714.2130 -109269.7308 298.5702 21.3344 52.2699 760975.0274 -8.5733 -8.6584 PRESSURE: 3742800 -321.189 -118.671 104.482 -118.671 -99.823 -37.8218 104.48 -37.8217 -53.9584 GPRESSURE: 3742800 -289.781 -110.169 22.33 -47.9574 -94.1992 30.9192 72.211 -65.7816 7.71954 PRESSAVG: 3742800 -4.71305 9.30232 24.0457 9.30231 -50.6797 -18.5082 24.0456 -18.5081 -29.9978 GPRESSAVG: 3742800 -4.14535 10.0032 24.6894 10.4461 -51.2255 -16.9419 22.0721 -19.3691 -30.1801 TIMING: 3742800 CPU: 11891, 0.00317566/step Wall: 11891, 0.00317566/step, 1.10901 hours remaining, 239.957031 MB of memory in use. ENERGY: 3742800 4015.8138 20507.8140 14481.0106 270.2995 -203393.7086 2636.3131 0.0000 0.0000 52026.1848 -109456.2729 298.9952 -161482.4577 -109099.5841 299.2344 -158.3235 -125.4203 760117.7734 -28.4635 -28.5170 PRESSURE: 3743000 -88.986 -1.34048 -59.1488 -1.34043 97.8789 -87.6162 -59.1476 -87.616 226.039 GPRESSURE: 3743000 -74.9081 -28.741 -104.422 -102.654 120.037 -37.5466 -39.1876 36.3985 265.213 PRESSAVG: 3743000 16.9466 12.2809 39.011 12.2808 6.87512 23.3113 39.0109 23.3113 -3.22925 GPRESSAVG: 3743000 16.8113 10.6496 40.4453 14.425 6.56925 22.2817 38.546 24.2803 -3.16792 TIMING: 3743000 CPU: 11891.6, 0.00318079/step Wall: 11891.6, 0.00318079/step, 1.11063 hours remaining, 239.957031 MB of memory in use. ENERGY: 3743000 3980.5739 20622.8571 14392.0576 262.6728 -203727.9201 2865.2442 0.0000 0.0000 52038.2715 -109566.2430 299.0647 -161604.5145 -109218.3744 299.0792 78.3107 103.4473 761509.6699 6.8641 6.7375 PRESSURE: 3743200 -76.5413 -82.3856 -21.4194 -82.3855 -385.648 64.944 -21.4199 64.9444 63.2206 GPRESSURE: 3743200 -85.5045 -39.8387 -20.9098 -207.42 -301.751 108.454 -59.0214 -57.8199 66.9368 PRESSAVG: 3743200 8.52335 -41.8035 9.96315 -41.8036 -5.58662 13.1702 9.96309 13.1702 21.7231 GPRESSAVG: 3743200 7.79104 -40.9975 9.91308 -45.5057 -5.17698 14.7365 10.4905 11.9401 22.1486 TIMING: 3743200 CPU: 11892.2, 0.00316103/step Wall: 11892.2, 0.00316103/step, 1.10355 hours remaining, 239.957031 MB of memory in use. ENERGY: 3743200 4046.4856 20668.1074 14475.5819 253.9706 -203395.8694 2438.5337 0.0000 0.0000 52268.9654 -109244.2247 300.3905 -161513.1902 -108876.3475 299.3809 -132.9896 -106.7728 763460.2961 8.2200 8.2542 PRESSURE: 3743400 -533.501 55.1857 -180.604 55.1856 -159.259 -169.714 -180.603 -169.714 16.3818 GPRESSURE: 3743400 -489.002 78.694 0.493829 163.248 -90.6096 -142.898 -169.435 -198.285 -23.1506 PRESSAVG: 3743400 -27.4131 5.44998 -28.1637 5.44995 49.1123 -47.1248 -28.1637 -47.1247 17.6625 GPRESSAVG: 3743400 -26.7722 4.64131 -26.4477 6.56891 48.8578 -49.2236 -29.3653 -46.1868 17.4091 TIMING: 3743400 CPU: 11892.9, 0.00316557/step Wall: 11892.9, 0.00316557/step, 1.10496 hours remaining, 239.957031 MB of memory in use. ENERGY: 3743400 4023.1912 20650.2018 14546.1269 249.3565 -203561.1763 2550.5746 0.0000 0.0000 52195.8621 -109345.8632 299.9703 -161541.7253 -108979.4325 299.8632 -225.4592 -200.9209 762004.6196 13.1206 13.1649 PRESSURE: 3743600 -38.1248 85.1595 -57.2518 85.1593 -0.721262 -48.182 -57.2509 -48.1827 188.981 GPRESSURE: 3743600 -24.0173 128.369 -114.64 20.6942 77.4688 -67.3407 -64.2136 -7.74323 190.503 PRESSAVG: 3743600 8.87802 -8.60299 -28.33 -8.60303 12.3027 0.173069 -28.3299 0.172984 -6.68136 GPRESSAVG: 3743600 10.178 -6.95811 -29.7003 -8.03454 11.6606 1.08108 -29.1013 -0.617818 -7.31298 TIMING: 3743600 CPU: 11893.5, 0.00316797/step Wall: 11893.5, 0.00316797/step, 1.10562 hours remaining, 239.957031 MB of memory in use. ENERGY: 3743600 3997.0155 20761.0198 14455.4371 265.7755 -203562.5530 2589.0611 0.0000 0.0000 52056.1408 -109438.1033 299.1674 -161494.2441 -109089.7338 299.7069 50.0451 81.3180 760887.4045 4.8331 4.8419 PRESSURE: 3743800 -243.537 -51.1659 19.5659 -51.166 134.98 109.777 19.5654 109.776 -52.3671 GPRESSURE: 3743800 -172.976 -15.7448 -45.767 -138.083 141.233 76.8442 90.1925 33.0916 -31.8412 PRESSAVG: 3743800 -16.0847 51.2412 61.5829 51.2412 51.0852 -5.45704 61.5829 -5.45695 -14.4962 GPRESSAVG: 3743800 -16.1382 49.5926 61.403 50.0317 50.3083 -4.96058 62.609 -4.80504 -14.1101 TIMING: 3743800 CPU: 11894.1, 0.00314899/step Wall: 11894.1, 0.00314899/step, 1.09882 hours remaining, 239.957031 MB of memory in use. ENERGY: 3743800 3996.0418 20463.2400 14522.8292 254.2090 -203406.8598 2577.8054 0.0000 0.0000 52001.2705 -109591.4639 298.8520 -161592.7344 -109225.4335 299.6695 -53.6413 -21.1947 761346.1801 6.8347 6.6867 PRESSURE: 3744000 -173.579 82.7641 130.761 82.7637 -233.767 -62.3152 130.761 -62.315 -153.244 GPRESSURE: 3744000 -138.159 161.394 162.976 144.181 -223.675 -13.8653 211.417 -31.7474 -127.823 PRESSAVG: 3744000 46.6149 17.6647 -27.6129 17.6647 -14.7023 -14.6712 -27.6128 -14.6712 12.2276 GPRESSAVG: 3744000 45.4938 19.772 -27.664 18.0707 -13.7573 -14.0106 -26.8069 -15.0094 12.8832 TIMING: 3744000 CPU: 11894.8, 0.00317087/step Wall: 11894.8, 0.00317087/step, 1.10628 hours remaining, 239.957031 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: 3744000 4056.7864 20565.9709 14480.4768 257.9956 -203240.2053 2500.8248 0.0000 0.0000 52016.1040 -109362.0469 298.9373 -161378.1508 -109005.8651 299.1271 -186.8636 -163.2193 763501.7637 14.7134 14.8733 PRESSURE: 3744200 -61.9832 -34.3732 16.578 -34.3735 24.712 259.632 16.577 259.632 413.204 GPRESSURE: 3744200 -9.94407 -102.676 141.019 -116.727 58.0565 192.825 -18.4056 121.158 414.899 PRESSAVG: 3744200 -19.0304 13.0253 46.9011 13.0253 38.1065 5.03729 46.9012 5.03726 3.14409 GPRESSAVG: 3744200 -19.7558 11.9663 45.3699 12.1897 38.7003 4.78026 48.2855 3.54354 3.04061 TIMING: 3744200 CPU: 11895.4, 0.00316029/step Wall: 11895.4, 0.00316029/step, 1.10241 hours remaining, 239.957031 MB of memory in use. ENERGY: 3744200 3979.2618 20499.6636 14615.4816 252.0386 -203019.1605 2275.2307 0.0000 0.0000 52175.0954 -109222.3889 299.8510 -161397.4843 -108850.1220 300.0358 125.3109 154.3371 763015.3586 7.4068 7.3284 LDB: ============= START OF LOAD BALANCING ============== 11907.9 LDB: ============== END OF LOAD BALANCING =============== 11907.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11907.9 LDB: ============= START OF LOAD BALANCING ============== 11908.2 LDB: Largest compute 7048 load 0.034229 is 17.5% of average load 0.195302 LDB: Average compute 0.004384 is 2.2% of average load 0.195302 LDB: TIME 11908.2 LOAD: AVG 0.195302 MAX 0.213522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 11908.2 LOAD: AVG 0.195302 MAX 0.213522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: TIME 11908.2 LOAD: AVG 0.195302 MAX 0.213522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.895 MB LDB: ============== END OF LOAD BALANCING =============== 11908.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11908.2 PRESSURE: 3744400 147.761 -61.9483 -144.437 -61.949 232.845 13.9505 -144.438 13.9511 138.117 GPRESSURE: 3744400 190.53 -105.595 -156.03 -46.885 316.489 26.6129 -111.205 83.3293 128.707 PRESSAVG: 3744400 1.7743 -6.63016 -13.3964 -6.6302 27.7373 30.3504 -13.3964 30.3504 -14.4269 GPRESSAVG: 3744400 2.73388 -7.55811 -14.1922 -3.21369 27.2376 29.8131 -13.9319 33.175 -14.6567 TIMING: 3744400 CPU: 11896, 0.00320938/step Wall: 11896, 0.00320938/step, 1.11936 hours remaining, 240.347656 MB of memory in use. ENERGY: 3744400 3994.3700 20331.9948 14543.2133 255.9132 -203191.7964 2652.6879 0.0000 0.0000 52175.6613 -109237.9558 299.8542 -161413.6171 -108869.4895 299.9264 172.9075 211.9085 762034.7637 5.0282 5.1049 PRESSURE: 3744600 127.195 51.434 20.6499 51.4351 242.933 100.369 20.6503 100.37 -42.2086 GPRESSURE: 3744600 85.8539 -23.764 25.1707 59.5387 348.922 76.7264 -137.391 100.872 -8.0219 PRESSAVG: 3744600 -33.3111 -14.8136 -18.6622 -14.8136 32.9611 -8.01014 -18.6622 -8.01011 -4.50417 GPRESSAVG: 3744600 -33.4129 -15.7401 -16.6417 -15.6595 33.165 -8.60838 -21.6509 -9.67712 -4.49584 TIMING: 3744600 CPU: 11896.7, 0.00313245/step Wall: 11896.7, 0.00313245/step, 1.09236 hours remaining, 240.347656 MB of memory in use. ENERGY: 3744600 3993.7293 20509.3895 14508.6020 252.2555 -203053.8451 2583.4763 0.0000 0.0000 52233.8970 -108972.4955 300.1889 -161206.3925 -108617.8186 300.0926 109.3065 142.2512 763004.6504 -1.6181 -1.5812 PRESSURE: 3744800 5.23233 -66.5591 109.209 -66.5591 48.0478 -87.0197 109.209 -87.0203 163.13 GPRESSURE: 3744800 61.882 -59.8422 70.0031 -0.310133 34.2444 -187.631 39.8851 3.54553 195.115 PRESSAVG: 3744800 15.3088 25.1163 23.9591 25.1164 -18.4425 -32.1132 23.9591 -32.1132 -1.26596 GPRESSAVG: 3744800 15.2711 25.8582 23.8072 22.8726 -17.0078 -31.6659 24.1784 -31.9694 -2.50972 TIMING: 3744800 CPU: 11897.3, 0.00313856/step Wall: 11897.3, 0.00313856/step, 1.09431 hours remaining, 240.347656 MB of memory in use. ENERGY: 3744800 3949.8454 20308.9077 14466.2584 276.4682 -202487.7326 2156.1663 0.0000 0.0000 52384.3532 -108945.7334 301.0536 -161330.0866 -108568.5921 300.6219 72.1367 97.0804 763860.2216 -1.4665 -1.4155 PRESSURE: 3745000 -194.271 79.516 23.1333 79.5157 -75.1551 84.419 23.1331 84.4194 -58.479 GPRESSURE: 3745000 -101.219 19.3697 -5.89946 60.0389 -65.3318 177.301 -16.3076 -45.3608 -76.31 PRESSAVG: 3745000 -23.1896 -15.1973 -44.4603 -15.1973 -30.2268 -10.498 -44.4604 -10.498 -8.27223 GPRESSAVG: 3745000 -23.2871 -16.8214 -45.4576 -14.6279 -31.8734 -10.4275 -44.4071 -9.43834 -6.76813 TIMING: 3745000 CPU: 11897.9, 0.00315354/step Wall: 11897.9, 0.00315354/step, 1.09936 hours remaining, 240.347656 MB of memory in use. ENERGY: 3745000 4032.5486 20626.4861 14464.2517 245.2746 -203318.7005 2722.1078 0.0000 0.0000 52192.2837 -109035.7481 299.9498 -161228.0317 -108670.7832 300.5029 -109.3016 -80.9536 762887.0791 -20.5629 -20.6429 PRESSURE: 3745200 -66.4952 -237.176 111.919 -237.176 -145.803 26.2949 111.918 26.294 227.324 GPRESSURE: 3745200 -79.1592 -266.275 60.5477 -211.354 -17.9409 96.0902 108.427 71.4075 194.455 PRESSAVG: 3745200 -17.9316 -48.5865 20.8806 -48.5864 -23.0688 5.88704 20.8806 5.88699 -14.369 GPRESSAVG: 3745200 -18.1841 -48.2344 21.6943 -46.2588 -21.9377 5.93953 20.3496 6.3255 -15.7284 TIMING: 3745200 CPU: 11898.6, 0.00315331/step Wall: 11898.6, 0.00315331/step, 1.0991 hours remaining, 240.347656 MB of memory in use. ENERGY: 3745200 3943.8136 20434.1557 14454.3804 267.6260 -203281.8416 2664.5710 0.0000 0.0000 52238.7169 -109278.5781 300.2166 -161517.2949 -108913.2126 299.7928 5.0087 32.4516 761770.7357 -18.4565 -18.6167 PRESSURE: 3745400 60.9886 17.405 -227.06 17.4049 110.513 55.3874 -227.06 55.3877 -499.389 GPRESSURE: 3745400 87.4529 26.2495 -87.139 -138.286 155.58 -87.7322 -22.0046 40.3891 -474.519 PRESSAVG: 3745400 30.3163 -1.09785 13.8535 -1.09784 -12.1242 -28.3282 13.8535 -28.3283 -25.405 GPRESSAVG: 3745400 30.7676 -0.283945 14.5527 -3.47794 -12.905 -28.3143 15.4892 -28.0158 -24.8927 TIMING: 3745400 CPU: 11899.2, 0.00315804/step Wall: 11899.2, 0.00315804/step, 1.10058 hours remaining, 240.347656 MB of memory in use. ENERGY: 3745400 3938.2723 20361.2520 14452.1748 265.4663 -203383.7541 2834.9040 0.0000 0.0000 52169.9008 -109361.7839 299.8211 -161531.6847 -108998.8261 299.6345 -109.2959 -77.1621 762351.1008 -2.4043 -2.3433 PRESSURE: 3745600 178.307 23.3055 -78.657 23.307 -43.1072 -28.6616 -78.6571 -28.6616 18.2904 GPRESSURE: 3745600 261.069 101.198 -97.6501 205.61 21.0623 -3.96272 1.29243 -39.744 -6.49575 PRESSAVG: 3745600 8.47445 69.4012 15.4434 69.4013 -34.9759 5.12861 15.4434 5.12857 7.2096 GPRESSAVG: 3745600 8.3272 67.6738 14.0908 72.4645 -35.0716 4.79856 14.3453 4.00328 7.58732 TIMING: 3745600 CPU: 11899.8, 0.00313856/step Wall: 11899.8, 0.00313856/step, 1.09361 hours remaining, 240.347656 MB of memory in use. ENERGY: 3745600 3913.8782 20375.6129 14461.8718 248.4378 -203279.0919 2903.5743 0.0000 0.0000 52209.9385 -109165.7784 300.0512 -161375.7169 -108802.0064 299.4255 51.1633 91.8785 763062.2732 -6.4306 -6.3857 PRESSURE: 3745800 -281.901 20.5332 36.9758 20.5317 -169.594 -31.3252 36.9756 -31.3254 -17.4703 GPRESSURE: 3745800 -237.842 64.878 -5.49027 -51.9139 -81.1165 35.9906 -37.9698 113.432 -72.9838 PRESSAVG: 3745800 5.28344 54.4035 12.6672 54.4035 -38.5003 -59.7814 12.6671 -59.7814 -21.3063 GPRESSAVG: 3745800 5.91569 55.7278 13.2378 52.6176 -38.1126 -59.086 14.0583 -58.4742 -22.0053 TIMING: 3745800 CPU: 11900.4, 0.00314589/step Wall: 11900.4, 0.00314589/step, 1.09599 hours remaining, 240.347656 MB of memory in use. ENERGY: 3745800 4085.9497 20628.7395 14409.4856 255.1845 -202776.3820 2270.3811 0.0000 0.0000 52162.6137 -108964.0279 299.7793 -161126.6416 -108602.3465 300.1209 -156.3218 -130.6474 761215.1368 -18.1744 -18.0674 PRESSURE: 3746000 -189.664 89.2899 -34.8691 89.2898 188.805 -273.599 -34.8688 -273.597 173.73 GPRESSURE: 3746000 -103.685 149.615 2.3274 100.585 156.795 -236.026 -13.7335 -204.825 205.092 PRESSAVG: 3746000 6.54013 3.48929 -20.3868 3.48932 34.2289 -23.526 -20.3869 -23.5261 12.431 GPRESSAVG: 3746000 5.6717 3.34837 -20.5545 3.89209 33.5147 -23.379 -22.1667 -22.4206 13.872 TIMING: 3746000 CPU: 11901.1, 0.00316807/step Wall: 11901.1, 0.00316807/step, 1.10355 hours remaining, 240.347656 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: 3746000 3963.2391 20384.8088 14508.8695 251.7827 -202788.9608 2456.1685 0.0000 0.0000 52056.5060 -109167.5863 299.1695 -161224.0923 -108791.7068 300.0422 57.6235 86.0674 762495.0885 17.7333 17.6861 PRESSURE: 3746200 274.182 -25.9227 -112.4 -25.9227 -195.81 287.101 -112.399 287.101 -101.527 GPRESSURE: 3746200 245.151 23.7098 -128.825 9.99017 -159.108 236.021 14.1373 296.251 -28.9075 PRESSAVG: 3746200 -4.1038 -10.7822 -23.1867 -10.7823 -13.9286 -59.6481 -23.1867 -59.6481 22.1017 GPRESSAVG: 3746200 -4.26201 -9.44264 -23.0513 -10.3432 -13.213 -59.1544 -21.3392 -62.9283 21.4314 TIMING: 3746200 CPU: 11901.7, 0.00315866/step Wall: 11901.7, 0.00315866/step, 1.10009 hours remaining, 240.347656 MB of memory in use. ENERGY: 3746200 4050.3328 20707.2408 14465.8525 232.6867 -203048.4283 2533.5043 0.0000 0.0000 52018.0267 -109040.7847 298.9483 -161058.8113 -108679.2810 299.9563 -7.7183 19.0452 763916.3131 1.3564 1.3188 PRESSURE: 3746400 -58.6602 195.095 -156.722 195.094 79.3699 146.241 -156.723 146.242 52.0023 GPRESSURE: 3746400 -60.4395 69.3927 -149.79 138.312 80.6763 144.478 -124.891 85.9172 119.312 PRESSAVG: 3746400 77.3506 -67.7411 -38.739 -67.7411 18.8495 11.1657 -38.739 11.1657 17.3964 GPRESSAVG: 3746400 77.41 -68.9911 -40.1672 -68.6723 18.961 10.1186 -38.419 10.8603 17.3734 TIMING: 3746400 CPU: 11902.3, 0.00313946/step Wall: 11902.3, 0.00313946/step, 1.09323 hours remaining, 240.347656 MB of memory in use. ENERGY: 3746400 4083.7152 20547.1053 14511.8705 247.5221 -203551.0880 2778.3796 0.0000 0.0000 52163.0529 -109219.4424 299.7818 -161382.4952 -108855.5686 300.2443 24.2373 46.5162 760253.8051 37.8655 37.9148 PRESSURE: 3746600 -155.678 -33.121 118.203 -33.1212 -442.564 -6.12634 118.203 -6.12608 184.549 GPRESSURE: 3746600 -23.0814 1.47116 118.401 -125.629 -406.196 -106.928 -110.745 154.995 107.751 PRESSAVG: 3746600 0.683928 -2.68281 -4.38566 -2.68277 -41.2283 -31.7891 -4.38561 -31.789 -13.2419 GPRESSAVG: 3746600 -0.402013 -3.5731 -2.14347 -4.43726 -40.4467 -33.513 -5.84578 -25.7605 -13.0087 TIMING: 3746600 CPU: 11903, 0.00315731/step Wall: 11903, 0.00315731/step, 1.09927 hours remaining, 240.347656 MB of memory in use. ENERGY: 3746600 4051.8627 20448.6008 14486.9388 250.3067 -203715.5147 2838.4828 0.0000 0.0000 52245.5761 -109393.7468 300.2560 -161639.3229 -109032.0872 299.6301 -137.8974 -107.1753 761401.2099 -17.9287 -17.9525 PRESSURE: 3746800 251.533 -110.13 -33.9395 -110.129 32.4562 -11.4658 -33.9396 -11.4656 -102.351 GPRESSURE: 3746800 278.717 -65.5836 61.9125 28.6833 30.7202 7.30301 -74.0029 84.2674 -48.0193 PRESSAVG: 3746800 -25.306 -10.3919 -2.72778 -10.3919 -1.77511 10.4159 -2.72778 10.4159 23.5911 GPRESSAVG: 3746800 -24.6796 -8.43369 -3.08552 -8.28433 -2.69577 11.8159 -1.65129 7.42105 23.6665 TIMING: 3746800 CPU: 11903.6, 0.00315817/step Wall: 11903.6, 0.00315817/step, 1.09939 hours remaining, 240.347656 MB of memory in use. ENERGY: 3746800 3958.2212 20443.4878 14473.5466 253.6840 -203872.9969 2946.3838 0.0000 0.0000 51989.9191 -109807.7543 298.7868 -161797.6734 -109444.2647 299.1314 60.5461 87.1391 760048.0907 -1.1633 -1.2363 PRESSURE: 3747000 -65.7785 -29.7069 70.7178 -29.7071 -24.826 53.6511 70.7169 53.6516 20.7821 GPRESSURE: 3747000 -18.2898 -34.6636 89.5795 10.2299 -14.429 37.4092 93.1911 75.2157 52.8927 PRESSAVG: 3747000 -11.4491 -39.9149 -19.0819 -39.9149 16.8693 51.2731 -19.0818 51.2732 -10.6576 GPRESSAVG: 3747000 -11.9971 -40.3193 -20.8641 -40.52 17.5978 52.9356 -17.1654 50.4032 -10.8809 TIMING: 3747000 CPU: 11904.2, 0.00315202/step Wall: 11904.2, 0.00315202/step, 1.09708 hours remaining, 240.347656 MB of memory in use. ENERGY: 3747000 3913.3879 20626.9376 14442.6974 277.1517 -203706.0601 2834.3159 0.0000 0.0000 51935.3457 -109676.2239 298.4731 -161611.5696 -109316.5201 298.9931 -23.2741 6.7246 761734.9812 -1.7458 -1.7600 PRESSURE: 3747200 -276.337 28.9805 66.7122 28.9807 -270.007 191.937 66.7127 191.937 163.365 GPRESSURE: 3747200 -167.908 38.486 90.729 -24.7986 -265.279 159.449 -83.1731 153.702 137.853 PRESSAVG: 3747200 -12.082 -44.513 -7.11928 -44.5129 -14.4401 -11.2553 -7.11929 -11.2552 10.7072 GPRESSAVG: 3747200 -11.8329 -44.5327 -4.60731 -45.3885 -15.322 -11.6172 -9.79615 -12.714 10.6429 TIMING: 3747200 CPU: 11904.9, 0.00316676/step Wall: 11904.9, 0.00316676/step, 1.10203 hours remaining, 240.347656 MB of memory in use. ENERGY: 3747200 3920.7900 20552.4190 14414.7589 233.6126 -203245.9289 2478.8296 0.0000 0.0000 51998.7345 -109646.7842 298.8374 -161645.5188 -109282.5398 298.9034 -127.6598 -98.4450 761653.7313 -5.2716 -5.5040 PRESSURE: 3747400 -64.0722 59.8261 -73.3649 59.8261 92.022 -180.877 -73.3649 -180.877 566.797 GPRESSURE: 3747400 6.52672 12.5014 -81.122 -8.04987 94.1822 -256.701 6.30573 -39.7331 572.786 PRESSAVG: 3747400 7.40225 -45.8653 -20.8018 -45.8653 -4.70283 -7.82859 -20.8018 -7.82859 -25.6311 GPRESSAVG: 3747400 8.41465 -47.223 -20.9926 -43.0845 -4.33953 -8.06563 -19.6182 -6.70835 -27.2778 TIMING: 3747400 CPU: 11905.5, 0.00313648/step Wall: 11905.5, 0.00313647/step, 1.09132 hours remaining, 240.347656 MB of memory in use. ENERGY: 3747400 3934.9620 20495.4980 14443.1471 263.8384 -203520.6687 2660.6608 0.0000 0.0000 51960.8673 -109761.6951 298.6198 -161722.5625 -109400.0278 298.5538 198.2491 224.4985 763562.8290 -7.6439 -7.7342 PRESSURE: 3747600 -570.241 -148.004 4.20583 -148.005 -142.657 -77.061 4.20596 -77.0596 -191.574 GPRESSURE: 3747600 -467.989 -205.873 33.5262 -119.885 -159.752 -27.0792 -4.68782 -70.2176 -201.586 PRESSAVG: 3747600 -49.5643 -29.7347 1.21075 -29.7347 6.72886 -4.89764 1.21071 -4.89757 7.4728 GPRESSAVG: 3747600 -51.0811 -29.4093 -0.533388 -31.7648 7.26994 -5.89801 0.620068 -6.10792 8.90292 TIMING: 3747600 CPU: 11906.1, 0.00314426/step Wall: 11906.1, 0.00314426/step, 1.09385 hours remaining, 240.347656 MB of memory in use. ENERGY: 3747600 4035.0472 20312.8553 14421.0027 267.7899 -203500.6686 2611.1762 0.0000 0.0000 52308.4249 -109544.3724 300.6172 -161852.7974 -109177.1113 298.7423 -301.4906 -276.4425 762853.5043 -11.7876 -11.6361 PRESSURE: 3747800 -22.4434 288.255 -12.9258 288.255 -209.457 23.0708 -12.9256 23.0703 109.83 GPRESSURE: 3747800 -28.2664 179.451 -98.0093 56.5593 -206.68 74.1055 -57.2244 -1.48192 197.587 PRESSAVG: 3747800 22.1161 -22.0958 26.5476 -22.0957 -64.1493 -1.6931 26.5476 -1.69319 -13.8929 GPRESSAVG: 3747800 22.789 -23.5633 27.1483 -22.7473 -63.8486 -0.443841 26.6639 -0.91492 -14.757 TIMING: 3747800 CPU: 11906.8, 0.00315016/step Wall: 11906.8, 0.00315016/step, 1.09573 hours remaining, 240.347656 MB of memory in use. ENERGY: 3747800 4006.0816 20533.9698 14499.5076 266.5363 -203089.6678 2480.7445 0.0000 0.0000 51855.2587 -109447.5693 298.0129 -161302.8280 -109098.3716 299.3043 -40.6904 -12.4532 762135.6561 -18.6420 -18.6055 PRESSURE: 3748000 -53.2573 22.4358 -138.255 22.4356 32.652 -68.8561 -138.255 -68.8556 -131.692 GPRESSURE: 3748000 -91.8624 6.04638 -138.17 57.1395 64.5451 -109.18 -54.8153 -88.8873 -38.4361 PRESSAVG: 3748000 5.11224 -46.8823 33.0218 -46.8822 0.325862 -14.5264 33.0218 -14.5264 -1.60697 GPRESSAVG: 3748000 5.06322 -45.3555 33.1251 -45.7269 -0.380548 -15.6794 32.8971 -14.1415 -0.746206 TIMING: 3748000 CPU: 11907.4, 0.00314265/step Wall: 11907.4, 0.00314265/step, 1.09294 hours remaining, 240.347656 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: 3748000 3998.6595 20657.2446 14418.3038 247.3387 -203009.9774 2399.1563 0.0000 0.0000 51982.8918 -109306.3828 298.7464 -161289.2746 -108950.9641 298.7115 -50.7659 -21.9178 762677.9980 1.2770 1.3122 PRESSURE: 3748200 119.123 267.896 4.74446 267.895 -136.271 -34.9637 4.74392 -34.9616 236.194 GPRESSURE: 3748200 182.767 278.57 -34.2617 176.801 -93.8478 77.9936 96.1311 63.6208 196.102 PRESSAVG: 3748200 -14.9206 -40.6154 26.0605 -40.6154 -7.61411 15.8854 26.0605 15.8855 3.0281 GPRESSAVG: 3748200 -15.0773 -40.8993 25.9913 -41.5911 -6.99239 17.8104 26.3632 16.7647 2.50479 TIMING: 3748200 CPU: 11908, 0.0031644/step Wall: 11908, 0.0031644/step, 1.10033 hours remaining, 240.347656 MB of memory in use. ENERGY: 3748200 4057.4813 20603.2616 14493.6747 261.8788 -203199.7999 2603.6997 0.0000 0.0000 51682.1438 -109497.6601 297.0180 -161179.8039 -109154.6197 298.9680 73.0155 95.0070 761320.7675 -6.5022 -6.5216 LDB: ============= START OF LOAD BALANCING ============== 11920.5 LDB: ============== END OF LOAD BALANCING =============== 11920.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11920.5 LDB: ============= START OF LOAD BALANCING ============== 11920.8 LDB: Largest compute 7070 load 0.034334 is 17.6% of average load 0.195329 LDB: Average compute 0.004394 is 2.2% of average load 0.195329 LDB: TIME 11920.8 LOAD: AVG 0.195329 MAX 0.216371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 11920.8 LOAD: AVG 0.195329 MAX 0.216371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 11920.8 LOAD: AVG 0.195329 MAX 0.216371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 11920.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11920.8 PRESSURE: 3748400 -42.9642 -74.6094 -34.9356 -74.6092 375.276 -49.7089 -34.9364 -49.7106 -391.604 GPRESSURE: 3748400 72.592 -119.692 -25.555 -41.6549 292.397 -141.938 -41.8149 -91.18 -349.631 PRESSAVG: 3748400 73.2291 -10.3316 17.7217 -10.3316 -51.4938 -3.98803 17.7217 -3.98807 1.04835 GPRESSAVG: 3748400 74.5398 -9.94292 16.1415 -11.6885 -53.157 -6.30935 19.3039 -2.67777 1.07427 TIMING: 3748400 CPU: 11908.7, 0.00321413/step Wall: 11908.7, 0.00321413/step, 1.11745 hours remaining, 239.324219 MB of memory in use. ENERGY: 3748400 3958.2988 20733.8874 14495.6567 240.5423 -203382.1658 2435.7885 0.0000 0.0000 51939.5726 -109578.4196 298.4974 -161517.9921 -109221.8315 299.0843 -19.7642 5.1196 761163.6660 7.5945 7.4857 PRESSURE: 3748600 196.563 64.4287 -207.765 64.4284 -74.7449 60.1539 -207.764 60.1547 44.889 GPRESSURE: 3748600 258.904 -17.5328 -76.4222 106.806 -59.434 42.1731 -144.078 157.275 25.7581 PRESSAVG: 3748600 38.5538 -8.00047 40.2792 -8.00048 -3.06402 -18.9883 40.2792 -18.9883 3.04121 GPRESSAVG: 3748600 37.9651 -6.2348 42.6433 -9.1286 -3.14226 -17.9028 39.1911 -20.7558 3.59585 TIMING: 3748600 CPU: 11909.3, 0.00320198/step Wall: 11909.3, 0.00320198/step, 1.11305 hours remaining, 239.324219 MB of memory in use. ENERGY: 3748600 3965.5632 20491.2096 14477.5274 255.0348 -204041.2644 2901.9666 0.0000 0.0000 52261.4167 -109688.5461 300.3471 -161949.9628 -109330.1851 298.8325 55.5692 75.0761 760660.6739 12.8437 12.8062 PRESSURE: 3748800 -233.237 134.087 13.9736 134.087 26.5812 -354.135 13.9735 -354.136 -10.96 GPRESSURE: 3748800 -245.944 23.4737 4.28215 79.1489 99.0308 -287.212 -42.4021 -261.098 35.1062 PRESSAVG: 3748800 22.4354 -38.8692 29.9003 -38.8692 0.367462 -33.5876 29.9004 -33.5876 -3.57081 GPRESSAVG: 3748800 20.9919 -41.2325 31.09 -35.8403 0.701511 -33.7915 30.2876 -32.4736 -3.61021 TIMING: 3748800 CPU: 11909.9, 0.00315641/step Wall: 11909.9, 0.00315641/step, 1.09703 hours remaining, 239.324219 MB of memory in use. ENERGY: 3748800 3932.7320 20466.5867 14541.6841 248.9376 -203915.4724 2766.5241 0.0000 0.0000 52195.2674 -109763.7405 299.9669 -161959.0079 -109401.7663 298.4666 -72.5385 -37.2690 759786.4621 6.4107 6.0277 PRESSURE: 3749000 -177.061 -160.068 46.995 -160.069 -62.7347 -106.073 46.9941 -106.074 -199.521 GPRESSURE: 3749000 -120.915 -135.142 58.47 -121.402 -108.682 -58.1301 178.294 -217.764 -109.149 PRESSAVG: 3749000 31.6654 -3.34647 38.0622 -3.34654 5.68217 2.51445 38.0622 2.5145 18.0776 GPRESSAVG: 3749000 32.9551 -2.59501 36.5538 -5.54242 4.78737 4.01851 37.789 -0.338883 18.1233 TIMING: 3749000 CPU: 11910.6, 0.00316026/step Wall: 11910.6, 0.00316026/step, 1.09819 hours remaining, 239.324219 MB of memory in use. ENERGY: 3749000 4051.7583 20528.8506 14495.6516 226.6906 -203633.2357 2626.6232 0.0000 0.0000 51994.6896 -109708.9718 298.8142 -161703.6614 -109346.8821 299.1853 -146.4391 -112.9155 762296.2612 18.4751 18.6219 PRESSURE: 3749200 -58.4767 -101.859 170.59 -101.858 -446.823 -114.883 170.589 -114.885 -220.364 GPRESSURE: 3749200 -10.2469 -66.4296 169.284 -53.2326 -390.72 -151.381 111.697 -192.809 -225.684 PRESSAVG: 3749200 96.0281 -1.5799 57.6053 -1.57993 -67.0241 6.12515 57.6054 6.12521 1.55711 GPRESSAVG: 3749200 95.1004 -1.51155 57.9737 -2.41922 -65.5179 3.35637 54.8693 9.37853 0.871221 TIMING: 3749200 CPU: 11911.2, 0.00316707/step Wall: 11911.2, 0.00316707/step, 1.10038 hours remaining, 239.324219 MB of memory in use. ENERGY: 3749200 4005.2721 20401.7764 14555.2721 266.4883 -203566.1893 2549.2848 0.0000 0.0000 52016.8534 -109771.2423 298.9416 -161788.0957 -109404.2792 299.0029 -241.8880 -208.8838 761791.4670 10.1871 10.1513 PRESSURE: 3749400 -429.308 -60.9814 -49.9706 -60.9807 -152.6 125.726 -49.9705 125.728 -213.559 GPRESSURE: 3749400 -401.896 -35.8584 2.00312 -67.1016 -94.9247 119.176 -56.5871 134.113 -214.779 PRESSAVG: 3749400 -5.59601 -21.9238 -18.0741 -21.9238 -29.0011 0.328616 -18.074 0.328543 14.5484 GPRESSAVG: 3749400 -5.25683 -20.2482 -17.295 -20.8816 -28.8793 3.02743 -16.4293 -0.204359 14.2694 TIMING: 3749400 CPU: 11911.8, 0.00316483/step Wall: 11911.8, 0.00316483/step, 1.09943 hours remaining, 239.324219 MB of memory in use. ENERGY: 3749400 4038.0881 20327.1800 14443.0309 232.9985 -203742.8757 2573.8958 0.0000 0.0000 52240.1193 -109887.5630 300.2247 -162127.6823 -109521.5365 298.6409 -265.1555 -237.2001 761712.2148 -6.6829 -6.6222 PRESSURE: 3749600 -485.276 -164.299 -188.558 -164.299 -24.2666 -120.386 -188.558 -120.386 -37.0354 GPRESSURE: 3749600 -448.971 -185.902 -129.246 -210.3 -34.8587 -47.5185 -182.245 -22.2418 30.8859 PRESSAVG: 3749600 13.643 -47.757 -50.7658 -47.757 9.09738 0.271649 -50.7658 0.271672 -1.21835 GPRESSAVG: 3749600 12.9451 -50.5708 -52.1223 -47.495 8.77261 1.05899 -50.1416 0.492545 -0.385388 TIMING: 3749600 CPU: 11912.5, 0.00314679/step Wall: 11912.5, 0.00314679/step, 1.09299 hours remaining, 239.324219 MB of memory in use. ENERGY: 3749600 3981.9872 20327.2860 14433.1792 249.6115 -203620.2791 2610.2595 0.0000 0.0000 52191.9161 -109826.0397 299.9477 -162017.9557 -109455.5081 298.5704 -182.1926 -150.9813 761539.3721 7.1740 7.1108 PRESSURE: 3749800 -363.672 -224.871 -31.5669 -224.87 140.475 36.2821 -31.5669 36.2834 -266.116 GPRESSURE: 3749800 -326.073 -269.268 -134.788 -237.695 177.926 -30.1223 -32.1079 2.09382 -246.941 PRESSAVG: 3749800 -40.729 -20.6368 20.0261 -20.6368 41.0151 5.13393 20.0261 5.13393 21.3214 GPRESSAVG: 3749800 -38.7645 -18.9159 18.484 -20.8765 38.848 4.85301 21.487 3.89128 21.3796 TIMING: 3749800 CPU: 11913.1, 0.00316411/step Wall: 11913.1, 0.00316411/step, 1.09883 hours remaining, 239.324219 MB of memory in use. ENERGY: 3749800 3963.0043 20394.0142 14455.0542 251.4589 -203630.3401 2655.3341 0.0000 0.0000 51960.6306 -109950.8437 298.6185 -161911.4744 -109594.6832 298.3094 -163.1044 -131.6961 760937.1350 7.2025 7.1544 PRESSURE: 3750000 100.842 289.617 -179.014 289.618 -364.542 -260.164 -179.013 -260.163 2.17904 GPRESSURE: 3750000 88.5887 184.296 -123.691 300.802 -258.11 -190.134 -193.604 -161.957 -12.561 PRESSAVG: 3750000 45.3153 -38.5814 2.5373 -38.5814 -29.7041 58.5715 2.53729 58.5715 -7.00082 GPRESSAVG: 3750000 43.532 -38.5559 3.56443 -39.7026 -28.2313 59.5083 2.34886 58.6031 -6.54983 TIMING: 3750000 CPU: 11913.7, 0.00318683/step Wall: 11913.7, 0.00318683/step, 1.10654 hours remaining, 239.324219 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: 3750000 4003.9373 20312.8995 14343.4283 223.1330 -203703.1074 2785.3846 0.0000 0.0000 52163.5798 -109870.7449 299.7848 -162034.3247 -109503.5245 298.3393 -87.1739 -60.6940 762143.7025 2.8701 2.9170 PRESSURE: 3750200 -10.6914 4.87508 -228.564 4.87556 7.55616 69.8227 -228.563 69.8241 110.769 GPRESSURE: 3750200 56.3085 123.315 -138.489 70.5171 -11.7277 117.497 -215.745 148.86 127.108 PRESSAVG: 3750200 -5.57777 -22.6807 15.5006 -22.6806 -2.14195 17.756 15.5005 17.756 6.38621 GPRESSAVG: 3750200 -3.9636 -24.1955 15.2884 -21.168 -3.16166 17.0766 15.6749 19.1287 6.1439 TIMING: 3750200 CPU: 11914.4, 0.00318132/step Wall: 11914.4, 0.00318133/step, 1.10445 hours remaining, 239.324219 MB of memory in use. ENERGY: 3750200 4003.2868 20604.7879 14432.4502 234.4678 -203594.0674 2751.1622 0.0000 0.0000 51800.7096 -109767.2029 297.6994 -161567.9125 -109409.1325 298.3934 35.8779 57.2297 760594.5748 -0.4445 -0.3271 PRESSURE: 3750400 275.79 -80.0192 -82.1012 -80.0191 240.496 -23.3216 -82.1017 -23.3218 155.761 GPRESSURE: 3750400 276.028 -67.0937 -88.3723 -44.98 291.367 -83.0266 -17.7247 -36.736 183.486 PRESSAVG: 3750400 -4.96145 -10.7689 -21.1169 -10.7688 -16.4657 23.9266 -21.1169 23.9265 10.5811 GPRESSAVG: 3750400 -4.71758 -8.89552 -19.9207 -11.1497 -16.3609 23.3223 -24.5937 23.3271 10.5081 TIMING: 3750400 CPU: 11915, 0.00318138/step Wall: 11915, 0.00318138/step, 1.10429 hours remaining, 239.324219 MB of memory in use. ENERGY: 3750400 3972.5757 20498.0188 14497.1084 255.8546 -204136.2617 2778.6415 0.0000 0.0000 52164.6500 -109969.4127 299.7910 -162134.0627 -109615.5664 298.5986 224.0154 250.2938 760278.1490 -3.6154 -3.5235 PRESSURE: 3750600 -67.0971 -59.9925 69.6738 -59.9933 250.531 3.8539 69.6752 3.85466 161.326 GPRESSURE: 3750600 7.65394 -82.8579 121.653 -83.1159 244.164 -87.2329 -16.6769 60.2344 171.507 PRESSAVG: 3750600 -33.0195 -0.174186 -38.7123 -0.174246 -3.7663 51.9735 -38.7124 51.9736 -14.8389 GPRESSAVG: 3750600 -32.9675 -0.385087 -37.7107 -0.59582 -2.77646 51.1422 -37.0045 53.6459 -15.688 TIMING: 3750600 CPU: 11915.6, 0.00318049/step Wall: 11915.6, 0.00318049/step, 1.10381 hours remaining, 239.324219 MB of memory in use. ENERGY: 3750600 3997.2123 20515.6453 14508.8456 228.5685 -203786.8659 2757.3583 0.0000 0.0000 51982.0410 -109797.1949 298.7415 -161779.2359 -109442.2619 298.5472 114.9197 141.1080 761823.9027 -17.2082 -17.1440 PRESSURE: 3750800 88.4155 139.334 -120.484 139.334 -58.9173 237.755 -120.483 237.754 -272.605 GPRESSURE: 3750800 140.496 205.95 -129.591 150.066 33.6566 251.773 -49.531 21.9739 -343.436 PRESSAVG: 3750800 -10.6793 14.509 -20.184 14.509 22.0698 -5.33361 -20.184 -5.33371 1.20465 GPRESSAVG: 3750800 -10.8144 16.0934 -21.8318 15.2144 21.8032 -4.11161 -20.5149 -8.80628 1.66322 TIMING: 3750800 CPU: 11916.3, 0.00315317/step Wall: 11916.3, 0.00315317/step, 1.09415 hours remaining, 239.324219 MB of memory in use. ENERGY: 3750800 3975.0482 20511.0862 14499.7556 244.8459 -203815.4204 2805.0542 0.0000 0.0000 51979.4235 -109800.2067 298.7265 -161779.6303 -109441.3167 298.9970 -81.0357 -56.4277 760484.4384 4.1984 4.2173 PRESSURE: 3751000 173.124 30.9077 30.2989 30.9082 108.238 -43.1801 30.2992 -43.1805 -61.224 GPRESSURE: 3751000 152.512 36.0053 18.0232 1.85438 136.592 -1.81684 -90.4657 -35.7082 9.2071 PRESSAVG: 3751000 54.2707 9.87304 -10.6291 9.87297 -66.301 -17.6534 -10.6291 -17.6534 1.51242 GPRESSAVG: 3751000 53.0992 8.55365 -10.6506 9.03513 -65.4969 -18.3894 -8.491 -16.4016 1.93025 TIMING: 3751000 CPU: 11916.9, 0.00312841/step Wall: 11916.9, 0.00312841/step, 1.08539 hours remaining, 239.324219 MB of memory in use. ENERGY: 3751000 3929.4272 20533.6415 14479.1683 237.4164 -203508.6993 2835.2989 0.0000 0.0000 51876.5849 -109617.1621 298.1354 -161493.7470 -109262.0487 298.2591 73.3793 99.4371 761886.3590 -3.5060 -3.4892 PRESSURE: 3751200 230.094 -114.751 -171.348 -114.752 40.4548 -62.4505 -171.347 -62.4512 365.497 GPRESSURE: 3751200 258.827 -92.025 -182.908 -20.5289 25.1947 -56.585 -75.0313 94.7186 424.379 PRESSAVG: 3751200 -4.34951 -28.4216 2.21369 -28.4216 -5.93107 -25.3237 2.21365 -25.3236 -6.02578 GPRESSAVG: 3751200 -3.22631 -28.7045 1.29522 -26.9483 -6.43872 -24.2447 2.65467 -25.3731 -6.82033 TIMING: 3751200 CPU: 11917.5, 0.00315079/step Wall: 11917.5, 0.00315079/step, 1.09297 hours remaining, 239.324219 MB of memory in use. ENERGY: 3751200 3952.5264 20506.8059 14444.8182 253.1686 -203594.1458 2829.9053 0.0000 0.0000 51954.4953 -109652.4260 298.5832 -161606.9214 -109290.9516 298.6972 212.0151 236.1334 761267.9933 -5.4355 -5.4951 PRESSURE: 3751400 55.5538 272.057 50.6325 272.056 236.911 38.51 50.6327 38.5096 -36.6191 GPRESSURE: 3751400 35.6409 161.503 99.7458 359.67 276.452 53.7527 -3.05079 -61.105 42.3 PRESSAVG: 3751400 -35.8969 0.925073 -47.2068 0.92509 -24.266 -23.5145 -47.2069 -23.5146 -14.5126 GPRESSAVG: 3751400 -37.3434 1.05811 -45.7848 -0.395314 -23.1659 -24.6447 -47.5025 -22.8184 -13.9553 TIMING: 3751400 CPU: 11918.2, 0.00315714/step Wall: 11918.2, 0.00315714/step, 1.095 hours remaining, 239.324219 MB of memory in use. ENERGY: 3751400 3969.8150 20549.1183 14491.4166 229.7145 -203267.8356 2592.6446 0.0000 0.0000 51861.5642 -109573.5624 298.0491 -161435.1266 -109207.3852 298.9607 85.2820 118.1309 762526.4046 -24.8918 -24.8215 PRESSURE: 3751600 -146.857 23.5022 -118.757 23.5037 234.36 10.7616 -118.757 10.7603 278.343 GPRESSURE: 3751600 -73.0828 49.6075 -47.3095 32.0831 244.066 -7.51328 -165.963 -78.2188 280.118 PRESSAVG: 3751600 -22.3799 -51.6837 69.4795 -51.6836 40.2865 -7.54336 69.4795 -7.54332 -21.0194 GPRESSAVG: 3751600 -20.9447 -51.2762 68.6883 -50.8312 38.9622 -7.0586 68.5398 -7.71449 -21.3456 TIMING: 3751600 CPU: 11918.8, 0.00314758/step Wall: 11918.8, 0.00314758/step, 1.09151 hours remaining, 239.324219 MB of memory in use. ENERGY: 3751600 3980.3384 20530.2628 14531.1360 252.2072 -203487.3559 2783.6844 0.0000 0.0000 51968.7737 -109440.9534 298.6653 -161409.7271 -109077.0787 299.0492 121.9488 150.3668 761353.4907 -1.0376 -1.1094 PRESSURE: 3751800 362.961 -36.3295 -121.099 -36.3294 -196.954 -96.2358 -121.099 -96.2362 35.955 GPRESSURE: 3751800 307.841 91.9417 -130.455 2.5161 -85.0779 -130.314 -169.565 -139.761 76.37 PRESSAVG: 3751800 -0.39805 -21.2523 -0.360086 -21.2524 -26.6516 -26.2775 -0.360129 -26.2776 -7.9865 GPRESSAVG: 3751800 -1.91139 -21.7985 0.272211 -18.8553 -25.3771 -26.8907 1.70488 -24.144 -7.61291 TIMING: 3751800 CPU: 11919.4, 0.00313789/step Wall: 11919.4, 0.00313789/step, 1.08797 hours remaining, 239.324219 MB of memory in use. ENERGY: 3751800 3925.0351 20487.2516 14458.7193 257.7153 -203154.5222 2528.3433 0.0000 0.0000 51948.1620 -109549.2957 298.5468 -161497.4577 -109184.9819 298.7089 67.3206 99.7111 764767.2365 -11.6787 -11.6338 PRESSURE: 3752000 -131.291 -202.898 -282.668 -202.898 -251.426 -13.6749 -282.669 -13.6755 -65.3403 GPRESSURE: 3752000 -202.285 -148.982 -225.561 -165.772 -233.802 33.2099 -246.263 121.999 53.4141 PRESSAVG: 3752000 43.7579 -43.3773 -2.35353 -43.3772 -67.3861 3.68432 -2.35348 3.68427 11.0955 GPRESSAVG: 3752000 43.696 -42.6689 -3.6986 -43.5829 -67.3494 5.02641 -5.19606 1.1479 10.8373 TIMING: 3752000 CPU: 11920, 0.00316266/step Wall: 11920, 0.00316266/step, 1.09639 hours remaining, 239.324219 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: 3752000 3964.2070 20457.5960 14464.7900 249.7487 -203230.3103 2605.0397 0.0000 0.0000 51884.8662 -109604.0626 298.1830 -161488.9288 -109237.1299 298.3451 -149.3526 -127.5578 765081.7037 -4.1775 -4.2720 PRESSURE: 3752200 194.142 17.719 -75.2317 17.7187 -54.5934 -200.387 -75.2326 -200.388 139.401 GPRESSURE: 3752200 200.249 106.345 -76.2581 29.038 34.6856 -61.8709 -53.1082 -199.477 116.169 PRESSAVG: 3752200 24.6488 -34.1647 -43.8561 -34.1646 -11.8003 43.9972 -43.856 43.9972 28.9969 GPRESSAVG: 3752200 24.928 -33.8739 -41.1956 -36.5489 -12.1565 43.3908 -44.3961 44.9178 29.1016 TIMING: 3752200 CPU: 11920.7, 0.00313197/step Wall: 11920.7, 0.00313197/step, 1.08557 hours remaining, 239.324219 MB of memory in use. ENERGY: 3752200 3970.9926 20411.4423 14425.1658 246.8051 -203650.0219 2769.1402 0.0000 0.0000 52074.1233 -109752.3527 299.2707 -161826.4760 -109395.1941 298.7323 92.9833 117.0348 762189.1392 13.9485 13.9577 LDB: ============= START OF LOAD BALANCING ============== 11933.1 LDB: ============== END OF LOAD BALANCING =============== 11933.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11933.1 LDB: ============= START OF LOAD BALANCING ============== 11933.4 LDB: Largest compute 7024 load 0.033103 is 17.0% of average load 0.195267 LDB: Average compute 0.004380 is 2.2% of average load 0.195267 LDB: TIME 11933.4 LOAD: AVG 0.195267 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 11933.4 LOAD: AVG 0.195267 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 11933.4 LOAD: AVG 0.195267 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 11933.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11933.4 PRESSURE: 3752400 42.333 71.6904 -108.579 71.6907 -34.3766 142.234 -108.579 142.235 -275.605 GPRESSURE: 3752400 95.1557 -0.390651 -18.9959 49.946 -86.8081 67.2282 -153.504 152.815 -193.017 PRESSAVG: 3752400 48.7159 -73.2368 -22.7788 -73.2367 -22.6453 -5.41567 -22.7788 -5.41569 -13.5997 GPRESSAVG: 3752400 50.0592 -73.1709 -24.528 -73.0294 -24.3019 -7.24325 -22.5677 -7.24733 -13.0095 TIMING: 3752400 CPU: 11921.3, 0.00321123/step Wall: 11921.3, 0.00321123/step, 1.11287 hours remaining, 240.347656 MB of memory in use. ENERGY: 3752400 3918.0575 20452.5766 14447.1101 230.8315 -203495.5835 2746.5273 0.0000 0.0000 52025.0412 -109675.4393 298.9886 -161700.4805 -109310.8381 298.5576 -89.2161 -61.5565 760602.3329 4.1570 4.2493 PRESSURE: 3752600 -106.87 174.569 -43.4495 174.57 24.5921 -64.8094 -43.4494 -64.8094 -109.658 GPRESSURE: 3752600 -4.68306 131.114 -3.73425 103.421 6.77819 -96.5528 21.201 -24.5278 -99.3431 PRESSAVG: 3752600 12.092 -23.9401 17.2948 -23.9401 -2.07612 -14.5923 17.2948 -14.5922 -30.3569 GPRESSAVG: 3752600 10.8082 -25.256 18.5817 -24.3295 0.715961 -13.1568 19.879 -13.26 -31.4355 TIMING: 3752600 CPU: 11921.9, 0.00315268/step Wall: 11921.9, 0.00315269/step, 1.09241 hours remaining, 240.347656 MB of memory in use. ENERGY: 3752600 3941.2734 20687.8115 14425.2942 246.6280 -203362.4153 2490.8967 0.0000 0.0000 51939.8675 -109630.6440 298.4991 -161570.5116 -109275.6627 299.0441 -63.9788 -32.4160 760993.3091 -6.7803 -6.6371 PRESSURE: 3752800 -301.411 50.0105 62.9085 50.0101 -383.255 52.8623 62.9081 52.8621 119.041 GPRESSURE: 3752800 -363.829 4.96128 137.048 -19.2953 -299.616 79.6872 38.0704 72.3583 175.84 PRESSAVG: 3752800 22.5112 -40.2312 -14.2073 -40.2311 0.155898 -42.1635 -14.2074 -42.1636 10.6311 GPRESSAVG: 3752800 23.0415 -40.5203 -13.6119 -38.8049 -0.872074 -42.3513 -17.4537 -42.398 11.4631 TIMING: 3752800 CPU: 11922.6, 0.00314506/step Wall: 11922.6, 0.00314506/step, 1.08959 hours remaining, 240.347656 MB of memory in use. ENERGY: 3752800 3953.5425 20535.6332 14440.9425 237.1041 -203642.0077 2546.5552 0.0000 0.0000 52130.3178 -109797.9123 299.5937 -161928.2301 -109432.3264 299.3696 -188.5416 -162.5349 760799.7788 11.0994 11.2108 PRESSURE: 3753000 149.9 112.325 47.5192 112.325 345.28 -59.931 47.5201 -59.931 290.155 GPRESSURE: 3753000 198.405 49.7202 34.2647 66.5419 358.461 12.7739 153.276 -179.458 297.227 PRESSAVG: 3753000 -17.5541 -41.0419 7.22771 -41.0419 -3.91794 39.2525 7.22765 39.2525 13.8861 GPRESSAVG: 3753000 -17.8439 -40.0586 7.0749 -41.167 -4.04168 41.3691 7.68031 38.5465 14.2547 TIMING: 3753000 CPU: 11923.2, 0.00314217/step Wall: 11923.2, 0.00314217/step, 1.08841 hours remaining, 240.347656 MB of memory in use. ENERGY: 3753000 3971.0798 20503.4734 14472.9637 255.7797 -203639.6415 2744.2584 0.0000 0.0000 52170.0998 -109521.9868 299.8223 -161692.0866 -109151.4032 299.5738 261.7782 284.6979 759765.6303 -2.5286 -2.5436 PRESSURE: 3753200 -146.279 -78.4887 -73.5208 -78.4894 188.587 59.3905 -73.5198 59.3901 -211.959 GPRESSURE: 3753200 -161.692 -36.7562 -167.847 5.68656 185.141 159.904 -94.4757 9.09945 -120.759 PRESSAVG: 3753200 -2.86569 26.9088 0.924158 26.9087 -30.5768 36.303 0.924193 36.303 18.364 GPRESSAVG: 3753200 -2.40119 26.8154 -0.205784 26.5193 -29.8344 33.2542 0.0911675 35.7473 17.3813 TIMING: 3753200 CPU: 11923.8, 0.00311962/step Wall: 11923.8, 0.00311962/step, 1.08043 hours remaining, 240.347656 MB of memory in use. ENERGY: 3753200 3991.1220 20618.9682 14545.4979 246.5847 -203469.2766 2511.5178 0.0000 0.0000 52094.2187 -109461.3671 299.3862 -161555.5859 -109093.3587 299.4114 -56.5507 -32.4368 760379.4373 -5.0262 -4.9514 PRESSURE: 3753400 -50.2867 62.2823 -163.35 62.2823 550.243 145.592 -163.349 145.592 5.31203 GPRESSURE: 3753400 -74.4339 78.5915 -225.045 -43.5548 524.818 63.2759 -17.0361 196.132 150.742 PRESSAVG: 3753400 0.130936 49.5884 -25.0483 49.5884 28.8687 -19.4345 -25.0483 -19.4346 16.7944 GPRESSAVG: 3753400 -0.388733 49.5441 -23.309 49.4499 27.9696 -18.5482 -24.716 -18.4633 18.083 TIMING: 3753400 CPU: 11924.4, 0.00311191/step Wall: 11924.4, 0.00311191/step, 1.07759 hours remaining, 240.347656 MB of memory in use. ENERGY: 3753400 4007.2193 20639.8586 14463.8835 237.1120 -203421.2520 2742.1978 0.0000 0.0000 51837.5876 -109493.3933 297.9113 -161330.9809 -109134.1264 299.4739 168.4229 200.3755 759750.5873 15.2647 15.2213 PRESSURE: 3753600 77.1194 221.964 275.709 221.964 331.366 -18.298 275.708 -18.2993 -386.107 GPRESSURE: 3753600 161.953 334.459 161.922 162.944 357.718 -43.1652 257.444 -107.21 -424.632 PRESSAVG: 3753600 21.1196 -14.988 32.4241 -14.988 -34.995 19.4135 32.4241 19.4135 -17.1908 GPRESSAVG: 3753600 20.6025 -16.0102 29.5323 -14.436 -34.1478 18.4549 34.5168 17.1761 -17.4494 TIMING: 3753600 CPU: 11925.1, 0.00314368/step Wall: 11925.1, 0.00314368/step, 1.08841 hours remaining, 240.347656 MB of memory in use. ENERGY: 3753600 3984.9508 20664.9921 14398.0472 256.6574 -203336.2043 2534.8409 0.0000 0.0000 51986.7492 -109509.9668 298.7686 -161496.7160 -109158.5815 298.9479 7.4596 31.6799 760881.7744 -10.3554 -10.3316 PRESSURE: 3753800 134.177 125.351 40.9656 125.35 166.694 32.338 40.9652 32.3366 407.001 GPRESSURE: 3753800 188.267 134.35 109.266 132.623 173.015 55.5839 -134.674 78.4489 434.647 PRESSAVG: 3753800 30.9464 40.0336 -35.0191 40.0336 10.4136 -7.90281 -35.0191 -7.9028 -5.44677 GPRESSAVG: 3753800 31.509 42.8607 -34.8654 37.7301 10.0245 -6.19339 -35.0324 -5.90448 -5.30715 TIMING: 3753800 CPU: 11925.7, 0.00315328/step Wall: 11925.7, 0.00315328/step, 1.09156 hours remaining, 240.347656 MB of memory in use. ENERGY: 3753800 3982.6356 20467.7113 14490.5446 245.3560 -203325.9588 2664.3172 0.0000 0.0000 52079.4424 -109395.9517 299.3013 -161475.3941 -109041.0564 299.5091 235.9573 265.3096 761291.9560 11.9711 12.0754 PRESSURE: 3754000 151.886 -113.116 -44.7383 -113.116 284.523 119.993 -44.739 119.992 113.728 GPRESSURE: 3754000 205.091 -145.852 17.8004 -28.7159 285.416 153.643 -76.1682 96.763 166.113 PRESSAVG: 3754000 -6.5131 25.1005 -76.7735 25.1005 11.6885 -4.0672 -76.7735 -4.06714 -12.9865 GPRESSAVG: 3754000 -6.26909 24.4192 -76.2834 25.1538 10.2075 -4.68589 -76.9533 -2.8814 -12.0435 TIMING: 3754000 CPU: 11926.3, 0.00315575/step Wall: 11926.3, 0.00315575/step, 1.09224 hours remaining, 240.347656 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: 3754000 3961.4100 20422.8525 14466.4355 232.8179 -203286.8012 2526.1911 0.0000 0.0000 52290.6579 -109386.4364 300.5151 -161677.0942 -109013.0673 299.7484 183.3790 218.8735 759972.8214 -2.6037 -2.7017 PRESSURE: 3754200 96.1276 148.659 12.407 148.658 184.654 -205.538 12.4067 -205.538 123.052 GPRESSURE: 3754200 116.37 106.861 -59.964 45.3753 232.888 -225.082 155.846 -100.118 149.07 PRESSAVG: 3754200 -54.2126 -5.80889 -5.15679 -5.80893 9.17985 17.4428 -5.15667 17.4428 1.305 GPRESSAVG: 3754200 -55.403 -6.67775 -4.97001 -6.7978 10.8587 17.5427 -7.00174 16.774 0.676744 TIMING: 3754200 CPU: 11927, 0.00314937/step Wall: 11927, 0.00314937/step, 1.08986 hours remaining, 240.347656 MB of memory in use. ENERGY: 3754200 3977.8248 20368.0228 14515.3524 269.4639 -203454.6387 2630.4239 0.0000 0.0000 52025.5364 -109668.0145 298.9915 -161693.5509 -109310.0264 299.1842 134.6110 166.1092 759657.3802 -14.5759 -14.6225 PRESSURE: 3754400 290.067 -125.02 -56.6778 -125.02 305.678 -57.264 -56.6777 -57.2636 97.4583 GPRESSURE: 3754400 282.434 -79.1953 27.7862 -62.3203 360.239 -9.51065 -74.2433 -40.1121 118.455 PRESSAVG: 3754400 -51.2143 23.7162 27.4044 23.7161 21.7146 -29.3444 27.4044 -29.3445 -8.23971 GPRESSAVG: 3754400 -50.6663 22.9657 27.2997 25.4847 21.536 -29.2576 29.7538 -31.3396 -8.57794 TIMING: 3754400 CPU: 11927.6, 0.00317067/step Wall: 11927.6, 0.00317067/step, 1.09705 hours remaining, 240.347656 MB of memory in use. ENERGY: 3754400 4036.6190 20448.0404 14429.8407 243.0136 -203708.6254 2646.1895 0.0000 0.0000 51971.3841 -109933.5382 298.6803 -161904.9223 -109575.6723 298.8064 231.0679 253.7094 760200.2733 -12.5798 -12.5694 PRESSURE: 3754600 227.221 182.089 87.397 182.089 340.311 -189.396 87.3967 -189.396 532.045 GPRESSURE: 3754600 351.003 75.3508 -46.3661 257.573 338.55 -128.983 98.0392 -138.455 498.124 PRESSAVG: 3754600 9.36005 6.40892 61.9924 6.40892 -34.961 -18.3399 61.9924 -18.3399 6.5625 GPRESSAVG: 3754600 8.8134 6.23989 62.8045 5.2695 -34.8547 -17.9626 58.53 -16.5377 6.88363 TIMING: 3754600 CPU: 11928.2, 0.00314201/step Wall: 11928.2, 0.00314202/step, 1.08696 hours remaining, 240.347656 MB of memory in use. ENERGY: 3754600 3968.7311 20515.5933 14418.0788 252.0039 -203759.0537 2862.9264 0.0000 0.0000 51808.4539 -109933.2663 297.7439 -161741.7202 -109580.3689 298.6960 366.5258 395.8924 758784.1870 -6.3462 -6.3859 PRESSURE: 3754800 -21.8404 -262.951 102.461 -262.951 142.703 62.6682 102.462 62.6684 12.8815 GPRESSURE: 3754800 -1.98767 -135.871 143.387 -126.339 192.963 42.5564 61.5138 68.4578 44.6726 PRESSAVG: 3754800 4.97251 -69.8574 68.6778 -69.8573 19.0989 -15.2421 68.6778 -15.2421 29.4502 GPRESSAVG: 3754800 6.34546 -68.6411 67.689 -69.5707 17.0282 -15.0569 68.4614 -16.8445 30.5929 TIMING: 3754800 CPU: 11928.9, 0.00315095/step Wall: 11928.9, 0.00315095/step, 1.08988 hours remaining, 240.347656 MB of memory in use. ENERGY: 3754800 4002.3988 20512.1043 14480.7196 267.6753 -203784.5668 2639.9427 0.0000 0.0000 52132.0782 -109749.6479 299.6038 -161881.7261 -109392.2352 298.8133 44.5813 78.5492 759224.7734 17.8406 17.9889 PRESSURE: 3755000 140.452 -41.9663 24.458 -41.966 -5.96416 30.4711 24.4589 30.4711 75.3516 GPRESSURE: 3755000 112.56 -101.861 9.55568 -152.949 57.1732 -27.0009 59.9553 221.845 128.111 PRESSAVG: 3755000 -4.24398 -82.1345 1.46837 -82.1345 10.2994 -0.296114 1.46844 -0.296081 -15.0778 GPRESSAVG: 3755000 -4.63665 -82.9029 2.27742 -82.0028 12.6103 -0.847236 1.99371 0.534295 -17.0498 TIMING: 3755000 CPU: 11929.5, 0.00317282/step Wall: 11929.5, 0.00317282/step, 1.09727 hours remaining, 240.347656 MB of memory in use. ENERGY: 3755000 3931.8883 20499.1446 14402.6190 257.8210 -203241.2476 2482.2274 0.0000 0.0000 52008.2910 -109659.2562 298.8924 -161667.5472 -109290.4384 298.8425 69.9466 99.2814 759929.4300 -3.0075 -3.0254 PRESSURE: 3755200 185.064 -207.688 -189.403 -207.687 -61.4396 -61.0039 -189.402 -61.0042 -41.3484 GPRESSURE: 3755200 85.5759 -116.331 -92.1631 -123.564 57.4534 -85.9239 -284.037 -1.51761 17.3247 PRESSAVG: 3755200 32.5998 -29.3687 37.8955 -29.3687 -21.311 18.1601 37.8955 18.1602 -13.2663 GPRESSAVG: 3755200 32.1687 -29.7229 38.2401 -29.4354 -20.6832 17.982 38.3212 18.5491 -13.9431 TIMING: 3755200 CPU: 11930.1, 0.00316596/step Wall: 11930.1, 0.00316596/step, 1.09472 hours remaining, 240.347656 MB of memory in use. ENERGY: 3755200 3989.2512 20502.7219 14409.4549 244.4125 -203306.4222 2395.6436 0.0000 0.0000 52131.6597 -109633.2785 299.6014 -161764.9382 -109272.9425 298.8018 27.4252 53.4514 760243.6861 -0.6592 -0.8192 PRESSURE: 3755400 97.5514 -118.02 -50.4391 -118.021 -35.278 10.1312 -50.4388 10.1316 -23.5059 GPRESSURE: 3755400 169.003 -96.4183 -16.1205 -143.775 -27.5598 5.6684 -77.5363 -112.592 -15.0002 PRESSAVG: 3755400 21.4771 -21.0513 -6.18006 -21.0513 -30.3392 -6.68978 -6.18004 -6.68983 -22.5837 GPRESSAVG: 3755400 21.6735 -21.0051 -6.34706 -20.3135 -32.1918 -7.95916 -6.8282 -7.96745 -21.7291 TIMING: 3755400 CPU: 11930.8, 0.00317127/step Wall: 11930.8, 0.00317127/step, 1.09638 hours remaining, 240.347656 MB of memory in use. ENERGY: 3755400 3923.3245 20461.5109 14420.7580 237.5767 -203829.4394 2811.7635 0.0000 0.0000 52350.8676 -109623.6383 300.8612 -161974.5058 -109258.8856 299.2897 12.9225 42.1477 759319.6631 -10.4819 -10.7491 PRESSURE: 3755600 -45.5208 -12.2175 37.8398 -12.2168 -217.484 -55.2121 37.8395 -55.2106 365.328 GPRESSURE: 3755600 -17.0583 47.7917 -12.1355 -0.983403 -184.907 -26.5932 113.759 25.1244 399.991 PRESSAVG: 3755600 62.139 -41.8148 -47.6616 -41.8148 -16.3555 27.0706 -47.6616 27.0706 13.332 GPRESSAVG: 3755600 61.2901 -42.05 -45.3679 -43.793 -15.6317 29.0328 -46.4045 27.5555 13.2568 TIMING: 3755600 CPU: 11931.4, 0.00317975/step Wall: 11931.4, 0.00317975/step, 1.09913 hours remaining, 240.347656 MB of memory in use. ENERGY: 3755600 3947.4704 20480.3233 14486.6151 252.3618 -203092.1893 2423.8827 0.0000 0.0000 51851.1057 -109650.4303 297.9890 -161501.5360 -109283.2384 299.2186 34.1076 66.0086 761840.1995 19.7052 19.6384 PRESSURE: 3755800 -228.422 185.382 -15.6886 185.381 343.256 27.8155 -15.6888 27.8157 155.446 GPRESSURE: 3755800 -96.3982 47.8371 -9.00017 143.64 321.544 95.0671 -122.737 -32.3212 129.82 PRESSAVG: 3755800 39.4548 -18.2017 20.7326 -18.2018 1.04018 -2.44896 20.7327 -2.44895 26.463 GPRESSAVG: 3755800 42.1629 -16.8107 18.8812 -18.3541 0.00512908 -2.87399 19.7645 -0.389432 25.2865 TIMING: 3755800 CPU: 11932, 0.00315238/step Wall: 11932, 0.00315238/step, 1.0895 hours remaining, 240.347656 MB of memory in use. ENERGY: 3755800 3910.6098 20455.9698 14488.4327 228.1024 -203197.4999 2480.1207 0.0000 0.0000 52097.8516 -109536.4130 299.4071 -161634.2646 -109168.9450 299.4052 90.0932 118.3221 761688.3090 22.3193 22.4848 PRESSURE: 3756000 180.574 -264.485 -27.0796 -264.484 -123.248 -89.152 -27.0791 -89.1506 212.116 GPRESSURE: 3756000 105.898 -170.203 -37.2033 -311.388 -0.256926 -53.9425 109.793 -153.149 244.056 PRESSAVG: 3756000 -81.436 -17.2785 -7.72801 -17.2785 27.2312 15.8697 -7.72805 15.8697 -9.38415 GPRESSAVG: 3756000 -84.9873 -17.5764 -7.49547 -20.2522 29.1235 15.0503 -7.41089 15.0541 -7.77122 TIMING: 3756000 CPU: 11932.7, 0.00316463/step Wall: 11932.7, 0.00316463/step, 1.09355 hours remaining, 240.347656 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: 3756000 3956.7998 20532.7062 14487.3770 233.7711 -203701.8291 2776.1013 0.0000 0.0000 52259.4105 -109455.6632 300.3356 -161715.0737 -109095.8065 299.1763 89.8141 116.5655 760972.2135 -21.1963 -21.2117 PRESSURE: 3756200 -2.52597 -129.515 144.517 -129.516 258.083 110.992 144.516 110.992 56.5355 GPRESSURE: 3756200 120.264 45.545 77.22 -131.68 268.147 130.34 -51.0917 211.121 13.8415 PRESSAVG: 3756200 -14.1587 -30.4099 -20.0813 -30.4099 65.8679 44.0234 -20.0813 44.0234 6.43991 GPRESSAVG: 3756200 -13.8577 -30.4387 -21.5964 -23.9574 65.9479 45.298 -18.2691 43.1167 6.34215 TIMING: 3756200 CPU: 11933.3, 0.00314345/step Wall: 11933.3, 0.00314345/step, 1.08606 hours remaining, 240.347656 MB of memory in use. ENERGY: 3756200 4011.3474 20725.2934 14530.1968 238.6050 -203698.6851 2856.6502 0.0000 0.0000 52065.5395 -109271.0529 299.2214 -161336.5925 -108922.9207 299.4011 104.0309 134.0843 761702.1007 19.3830 19.4775 LDB: ============= START OF LOAD BALANCING ============== 11945.7 LDB: ============== END OF LOAD BALANCING =============== 11945.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11945.7 LDB: ============= START OF LOAD BALANCING ============== 11946.1 LDB: Largest compute 7048 load 0.034248 is 17.5% of average load 0.195313 LDB: Average compute 0.004387 is 2.2% of average load 0.195313 LDB: TIME 11946.1 LOAD: AVG 0.195313 MAX 0.213893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 11946.1 LOAD: AVG 0.195313 MAX 0.213893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: TIME 11946.1 LOAD: AVG 0.195313 MAX 0.213893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.84 MB LDB: ============== END OF LOAD BALANCING =============== 11946.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11946.1 PRESSURE: 3756400 -338.469 -155.726 119.417 -155.727 68.857 -40.5512 119.417 -40.5517 407.649 GPRESSURE: 3756400 -220.587 -134.071 56.7377 -101.796 -18.3836 -102.354 -31.3606 -33.8122 456.979 PRESSAVG: 3756400 -29.8099 -67.4216 20.9883 -67.4216 21.8784 49.5524 20.9882 49.5524 -4.27454 GPRESSAVG: 3756400 -28.5444 -67.2289 22.1375 -69.8909 20.4869 49.5826 19.8696 49.7382 -4.00769 TIMING: 3756400 CPU: 11933.9, 0.00322709/step Wall: 11933.9, 0.00322709/step, 1.11478 hours remaining, 240.667969 MB of memory in use. ENERGY: 3756400 3922.0637 20633.4379 14468.4184 266.5671 -203063.0455 2361.9403 0.0000 0.0000 52453.7293 -108956.8887 301.4523 -161410.6180 -108591.7220 300.1034 46.0121 72.6695 763750.3831 -4.0687 -4.0217 PRESSURE: 3756600 36.8658 -33.6696 64.0952 -33.6696 -219.256 91.6061 64.0965 91.6049 -237.075 GPRESSURE: 3756600 25.1815 -26.3625 55.9317 4.72916 -174.135 33.5392 -72.2705 72.2671 -181.186 PRESSAVG: 3756600 -28.6622 -1.39268 15.9267 -1.39268 2.46685 33.4535 15.9267 33.4535 15.4478 GPRESSAVG: 3756600 -27.8831 -2.50569 14.0614 -1.80404 3.46585 33.6012 14.8936 33.4915 14.4917 TIMING: 3756600 CPU: 11934.6, 0.0031615/step Wall: 11934.6, 0.0031615/step, 1.09195 hours remaining, 240.667969 MB of memory in use. ENERGY: 3756600 4033.3223 20523.1511 14459.0324 262.2735 -203172.7178 2482.8027 0.0000 0.0000 52179.8728 -109232.2630 299.8784 -161412.1358 -108863.4799 299.9537 -139.8217 -110.0465 763399.4304 -3.5825 -3.3085 PRESSURE: 3756800 -176.269 -178.821 -335.125 -178.821 60.8642 -69.9848 -335.125 -69.9833 -136.629 GPRESSURE: 3756800 -197.687 -197.319 -277.149 -269.559 132.011 -134.466 -152.272 -69.1819 -95.0077 PRESSAVG: 3756800 19.8928 -27.6329 -5.27049 -27.633 22.9158 18.9098 -5.2705 18.9098 -10.3008 GPRESSAVG: 3756800 19.8666 -25.2407 -3.54936 -27.9936 22.3514 18.0682 -4.36096 18.9106 -9.82683 TIMING: 3756800 CPU: 11935.2, 0.00315844/step Wall: 11935.2, 0.00315844/step, 1.09071 hours remaining, 240.667969 MB of memory in use. ENERGY: 3756800 3944.6729 20637.7596 14516.3040 255.5542 -203194.9333 2428.3473 0.0000 0.0000 51994.1590 -109418.1363 298.8111 -161412.2953 -109059.7634 299.7967 -84.0113 -53.5612 763002.3296 10.8360 10.7971 PRESSURE: 3757000 53.0057 -96.83 -61.4459 -96.8297 55.029 80.1516 -61.4458 80.1502 31.956 GPRESSURE: 3757000 62.9542 -143.9 11.4254 -148.188 77.0673 81.983 -76.6231 155.12 77.8631 PRESSAVG: 3757000 -3.4252 -51.4435 -42.6446 -51.4436 2.71694 2.02704 -42.6445 2.02701 8.64047 GPRESSAVG: 3757000 -4.29902 -53.1335 -40.3891 -50.3193 4.05307 3.32249 -42.6531 2.90843 8.50125 TIMING: 3757000 CPU: 11935.8, 0.00315489/step Wall: 11935.8, 0.00315489/step, 1.08931 hours remaining, 240.667969 MB of memory in use. ENERGY: 3757000 3974.2963 20592.9529 14589.8368 252.4254 -203682.9301 2575.4787 0.0000 0.0000 52185.1399 -109512.8000 299.9087 -161697.9399 -109152.6588 299.5691 46.6636 72.6282 759568.0812 2.6441 2.7518 PRESSURE: 3757200 268.031 88.5758 345.174 88.5767 179.981 -166.921 345.174 -166.922 344.422 GPRESSURE: 3757200 295.489 165.091 411.152 125.966 158.62 -119.196 291.808 -84.2044 443.4 PRESSAVG: 3757200 48.1786 -16.5301 15.6257 -16.5301 -9.6295 63.2083 15.6257 63.2083 12.4637 GPRESSAVG: 3757200 49.2301 -19.486 14.1107 -16.1689 -10.1905 61.6033 15.133 62.1258 12.5373 TIMING: 3757200 CPU: 11936.5, 0.00313857/step Wall: 11936.5, 0.00313857/step, 1.0835 hours remaining, 240.667969 MB of memory in use. ENERGY: 3757200 3957.7222 20406.0734 14465.7484 243.0307 -203452.1896 2699.1369 0.0000 0.0000 52021.5385 -109658.9396 298.9685 -161680.4781 -109297.0675 299.3982 264.1448 299.1697 761844.7955 17.0043 17.1923 PRESSURE: 3757400 37.1169 -139.831 145.26 -139.831 -151.382 83.4396 145.26 83.4407 -468.897 GPRESSURE: 3757400 93.6118 -121.451 213.186 12.3507 -94.6728 70.6241 77.4398 222.493 -479.615 PRESSAVG: 3757400 5.6455 -24.3934 30.9218 -24.3934 -6.13318 33.4597 30.9219 33.4597 -18.307 GPRESSAVG: 3757400 6.48212 -19.4398 29.7885 -24.8012 -4.63577 33.4736 29.8336 33.6214 -19.8221 TIMING: 3757400 CPU: 11937.1, 0.00314805/step Wall: 11937.1, 0.00314805/step, 1.0866 hours remaining, 240.667969 MB of memory in use. ENERGY: 3757400 3917.6961 20753.3990 14448.9327 234.2678 -203463.9570 2550.6108 0.0000 0.0000 52007.2136 -109551.8370 298.8862 -161559.0505 -109182.4918 299.6700 -194.3874 -160.2253 761102.7957 -6.2649 -5.9919 PRESSURE: 3757600 6.16256 -238.987 -83.9478 -238.987 54.4572 75.0685 -83.9471 75.0694 -244.888 GPRESSURE: 3757600 74.4848 -204.029 -84.8538 -120.512 23.4868 -41.0408 -46.6395 134.229 -200.059 PRESSAVG: 3757600 48.988 -47.5926 14.1065 -47.5926 -17.1343 3.95377 14.1065 3.95371 -6.64203 GPRESSAVG: 3757600 48.4266 -48.2356 12.0233 -48.4778 -18.1277 5.93954 15.3958 5.35461 -5.25969 TIMING: 3757600 CPU: 11937.7, 0.00315751/step Wall: 11937.7, 0.00315751/step, 1.08969 hours remaining, 240.667969 MB of memory in use. ENERGY: 3757600 3903.4692 20540.8682 14533.4477 254.6166 -203366.9278 2359.2128 0.0000 0.0000 52177.4848 -109597.8286 299.8647 -161775.3134 -109236.7784 299.2887 -61.4229 -34.0292 761600.9305 8.4039 8.3464 PRESSURE: 3757800 -94.3394 161.774 -167.088 161.775 344.411 -50.6373 -167.087 -50.6369 111.756 GPRESSURE: 3757800 -57.4446 159.016 -170.4 263.134 282.995 10.7625 54.6114 -138.965 207.671 PRESSAVG: 3757800 -11.902 -29.6833 -37.9112 -29.6833 29.8418 24.5836 -37.9112 24.5836 -3.14623 GPRESSAVG: 3757800 -12.3541 -30.9963 -35.3265 -28.8699 29.3638 22.9782 -38.5598 23.1016 -2.10717 TIMING: 3757800 CPU: 11938.3, 0.00315515/step Wall: 11938.3, 0.00315515/step, 1.0887 hours remaining, 240.667969 MB of memory in use. ENERGY: 3757800 3971.6772 20480.0057 14460.1442 240.4433 -203299.0135 2537.7335 0.0000 0.0000 51918.1772 -109690.8323 298.3745 -161609.0096 -109319.0802 299.1745 120.6089 144.4070 760346.2071 4.9312 4.9675 PRESSURE: 3758000 3.84916 -67.9913 -47.8268 -67.9908 -244.238 -39.6501 -47.8262 -39.6505 356.155 GPRESSURE: 3758000 130.773 -40.7799 -29.5121 18.332 -243.984 -135.293 -117.092 104.237 309.328 PRESSAVG: 3758000 -12.3387 -55.399 3.87159 -55.399 -11.8162 -14.4679 3.87156 -14.4679 18.5094 GPRESSAVG: 3758000 -11.8237 -55.9544 2.78556 -56.2 -12.7809 -15.3737 4.89698 -13.658 18.2468 TIMING: 3758000 CPU: 11939, 0.00316292/step Wall: 11939, 0.00316292/step, 1.09121 hours remaining, 240.667969 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: 3758000 4040.7988 20601.8783 14479.2710 229.4020 -203706.8954 2698.0321 0.0000 0.0000 51828.0539 -109829.4593 297.8565 -161657.5132 -109470.1248 298.7544 38.5890 65.3724 761080.4592 -1.8818 -2.1193 PRESSURE: 3758200 -166.71 -75.1333 51.207 -75.1339 -225.218 -43.473 51.207 -43.4722 277.769 GPRESSURE: 3758200 -106.951 10.5214 63.0427 -153.99 -120.885 -161.762 132.561 -70.8291 208.366 PRESSAVG: 3758200 -25.4009 -93.938 -12.817 -93.938 17.1913 30.158 -12.817 30.158 -25.6824 GPRESSAVG: 3758200 -26.2878 -91.9792 -12.1175 -94.188 19.5859 29.9271 -12.9031 31.3643 -26.7157 TIMING: 3758200 CPU: 11939.6, 0.00314642/step Wall: 11939.6, 0.00314642/step, 1.08534 hours remaining, 240.667969 MB of memory in use. ENERGY: 3758200 3899.7159 20581.6104 14450.0941 252.7423 -203598.2092 2408.4566 0.0000 0.0000 52327.1718 -109678.4181 300.7250 -162005.5900 -109322.4616 299.1194 -38.0528 -6.4898 758626.6429 -11.2973 -11.1392 PRESSURE: 3758400 -202.498 47.6774 192.883 47.6772 -553.23 367.474 192.882 367.474 -43.6428 GPRESSURE: 3758400 -153.266 103.08 168.159 33.8917 -424.468 260.285 132.803 267.23 -147.494 PRESSAVG: 3758400 5.67615 19.2774 3.43363 19.2774 -33.2566 -13.0178 3.43365 -13.0178 1.68781 GPRESSAVG: 3758400 5.33608 17.129 0.665548 20.4765 -33.8848 -12.8961 3.79738 -15.3557 2.46726 TIMING: 3758400 CPU: 11940.2, 0.0031532/step Wall: 11940.2, 0.0031532/step, 1.0875 hours remaining, 240.667969 MB of memory in use. ENERGY: 3758400 4051.9776 20561.5648 14390.4259 261.9383 -203459.5014 2543.6252 0.0000 0.0000 51988.1220 -109661.8476 298.7765 -161649.9696 -109297.8828 298.9590 -266.4570 -241.7426 760700.3009 -8.6309 -8.6938 PRESSURE: 3758600 194.462 -198.305 196.939 -198.306 185.437 154.822 196.938 154.822 166.365 GPRESSURE: 3758600 292.744 -181.551 133.534 -279.463 169.212 121.375 212.516 56.8377 168.33 PRESSAVG: 3758600 2.53503 -16.8249 97.9396 -16.8249 21.489 48.6991 97.9396 48.6991 31.967 GPRESSAVG: 3758600 2.87022 -16.726 97.671 -17.1309 20.6216 50.6131 99.0324 49.1002 31.914 TIMING: 3758600 CPU: 11940.9, 0.00314103/step Wall: 11940.9, 0.00314103/step, 1.08313 hours remaining, 240.667969 MB of memory in use. ENERGY: 3758600 3933.9216 20632.7862 14391.0470 250.7414 -203411.1323 2531.4823 0.0000 0.0000 52080.2843 -109590.8695 299.3061 -161671.1538 -109230.6325 298.7639 182.0883 210.0954 759773.9073 18.6637 18.4686 PRESSURE: 3758800 148.11 95.7019 160.962 95.7024 -13.5706 -28.9999 160.961 -29.0006 7.25808 GPRESSURE: 3758800 152.194 104.132 140.142 -16.4573 -23.0819 -81.8293 21.0156 -41.1938 105.927 PRESSAVG: 3758800 33.5085 -50.0809 -3.75808 -50.081 -12.5748 34.9354 -3.75806 34.9354 -15.7051 GPRESSAVG: 3758800 32.9571 -52.7808 -2.12759 -50.6405 -12.6934 34.3747 -6.41302 35.5968 -14.8274 TIMING: 3758800 CPU: 11941.5, 0.00313856/step Wall: 11941.5, 0.00313856/step, 1.08211 hours remaining, 240.667969 MB of memory in use. ENERGY: 3758800 4028.7114 20454.4021 14387.5886 250.7209 -203174.7736 2236.6702 0.0000 0.0000 52298.9141 -109517.7662 300.5626 -161816.6804 -109156.5680 299.2207 47.2659 78.3464 760696.3828 1.7429 1.8121 PRESSURE: 3759000 54.8391 37.8695 70.0408 37.8696 -118.609 -108.604 70.0411 -108.604 -100.579 GPRESSURE: 3759000 13.4972 30.5636 58.9971 5.90717 36.6086 -103.009 17.0068 10.3522 -139.172 PRESSAVG: 3759000 -31.2649 -46.3013 34.7744 -46.3013 -3.05602 35.6766 34.7745 35.6766 6.64006 GPRESSAVG: 3759000 -31.5932 -44.3542 32.9823 -46.2319 -1.38506 36.8182 34.0879 34.852 5.5006 TIMING: 3759000 CPU: 11942.1, 0.00311825/step Wall: 11942.1, 0.00311825/step, 1.07493 hours remaining, 240.667969 MB of memory in use. ENERGY: 3759000 4104.0371 20596.8363 14513.4358 259.7403 -203462.2055 2452.6482 0.0000 0.0000 52169.1526 -109366.3552 299.8168 -161535.5078 -109007.0949 299.7266 -54.7830 -29.6888 760954.9729 -9.2269 -9.1592 PRESSURE: 3759200 43.272 -84.5164 -32.6519 -84.5146 -59.1992 -114.556 -32.6511 -114.555 158.021 GPRESSURE: 3759200 96.1281 39.142 26.4443 -20.0198 78.634 -149.459 -5.64947 17.4403 58.3694 PRESSAVG: 3759200 -5.64332 41.0961 83.8136 41.0961 4.91622 -4.89378 83.8137 -4.89388 2.53594 GPRESSAVG: 3759200 -5.71915 41.7385 87.3715 41.45 4.85724 -6.03742 84.9981 -4.61655 2.47556 TIMING: 3759200 CPU: 11942.8, 0.00314177/step Wall: 11942.8, 0.00314177/step, 1.08286 hours remaining, 240.667969 MB of memory in use. ENERGY: 3759200 4057.6528 20641.1925 14455.9005 256.6354 -203478.3937 2652.0422 0.0000 0.0000 52118.7753 -109296.1949 299.5273 -161414.9702 -108926.2405 300.0137 47.3645 77.7105 760080.9784 0.6029 0.5379 PRESSURE: 3759400 28.9881 -265.838 173.186 -265.837 37.8663 120.891 173.186 120.89 16.3187 GPRESSURE: 3759400 53.6079 -105.562 151.867 -227.18 28.9291 94.4304 170.214 122.018 79.0292 PRESSAVG: 3759400 -3.71835 4.45904 46.3105 4.45908 -24.3492 5.43735 46.3105 5.43744 -3.83941 GPRESSAVG: 3759400 -2.02027 6.59543 44.2903 3.51957 -25.837 5.58271 44.963 5.99229 -4.36214 TIMING: 3759400 CPU: 11943.4, 0.00315897/step Wall: 11943.4, 0.00315897/step, 1.08862 hours remaining, 240.667969 MB of memory in use. ENERGY: 3759400 4072.7971 20757.6229 14509.9627 244.7077 -203510.6658 2600.2971 0.0000 0.0000 52203.5168 -109121.7615 300.0143 -161325.2783 -108760.2621 300.0722 27.7244 53.8554 760648.3071 -10.6357 -10.7398 PRESSURE: 3759600 -277.268 -18.6878 119.829 -18.6875 -142.459 85.1311 119.83 85.1323 -197.271 GPRESSURE: 3759600 -265.479 -116.559 91.8696 -141.722 -141.415 43.6093 58.1597 0.86948 -124.178 PRESSAVG: 3759600 -37.8355 -39.2111 12.0448 -39.2112 44.8358 -18.1699 12.0448 -18.1699 3.81501 GPRESSAVG: 3759600 -38.6257 -40.4858 12.454 -39.9706 45.5588 -18.231 14.1631 -19.5856 4.5222 TIMING: 3759600 CPU: 11944, 0.00313159/step Wall: 11944, 0.00313159/step, 1.07901 hours remaining, 240.667969 MB of memory in use. ENERGY: 3759600 4039.1976 20662.9191 14510.0376 260.0579 -203146.1789 2327.8494 0.0000 0.0000 52170.8032 -109175.3141 299.8263 -161346.1173 -108806.0593 299.7810 -205.6661 -177.0239 761983.4373 3.6051 3.8184 PRESSURE: 3759800 28.3399 129.317 122.694 129.316 -185.125 28.8557 122.693 28.8567 233.709 GPRESSURE: 3759800 134.847 172.7 41.3626 86.9402 -159.573 99.2759 147.123 -33.5674 188.679 PRESSAVG: 3759800 10.5854 37.2224 23.5731 37.2224 -13.9227 1.12152 23.5731 1.12153 11.2969 GPRESSAVG: 3759800 11.8436 37.2968 23.7615 37.4133 -14.2319 1.17091 22.7055 1.34441 10.3455 TIMING: 3759800 CPU: 11944.6, 0.00313596/step Wall: 11944.6, 0.00313596/step, 1.08034 hours remaining, 240.667969 MB of memory in use. ENERGY: 3759800 4028.1292 20694.9328 14473.6277 249.6040 -203510.7743 2459.0254 0.0000 0.0000 52317.8773 -109287.5779 300.6716 -161605.4552 -108923.6964 299.9174 25.6415 54.6509 761617.7560 2.6532 2.6524 PRESSURE: 3760000 -176.551 80.5157 -22.4403 80.5153 -327.54 20.5874 -22.4402 20.5875 59.5889 GPRESSURE: 3760000 -109.401 74.8108 64.4216 78.7368 -194.603 62.151 -58.3499 127.581 -76.7786 PRESSAVG: 3760000 9.13144 25.9334 -22.2651 25.9332 39.1282 59.0232 -22.2652 59.0232 -7.80227 GPRESSAVG: 3760000 7.88156 25.3755 -22.2501 27.6541 39.6669 61.0186 -22.9443 57.8987 -7.59552 TIMING: 3760000 CPU: 11945.3, 0.00313994/step Wall: 11945.3, 0.00313994/step, 1.08153 hours remaining, 240.667969 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: 3760000 3998.0313 20478.7709 14492.2647 238.7527 -203319.7922 2669.9162 0.0000 0.0000 52030.0772 -109411.9791 299.0176 -161442.0563 -109043.6984 299.2676 -148.1674 -126.9276 762287.0453 13.4858 13.3176 PRESSURE: 3760200 -5.68641 -7.35124 220.355 -7.35199 -269.974 -46.9528 220.354 -46.9532 -111.83 GPRESSURE: 3760200 29.6685 25.2003 260.72 -47.1646 -257.166 -106.978 135.617 -8.82724 -84.072 PRESSAVG: 3760200 -7.48724 -26.8611 14.1452 -26.8611 -12.2313 21.2323 14.1452 21.2322 -29.1628 GPRESSAVG: 3760200 -9.06377 -26.8934 13.3602 -27.3096 -11.3832 20.0934 15.7616 20.3834 -28.4007 TIMING: 3760200 CPU: 11945.9, 0.0031677/step Wall: 11945.9, 0.0031677/step, 1.09092 hours remaining, 240.667969 MB of memory in use. ENERGY: 3760200 3965.3211 20569.8726 14505.8364 249.4795 -202949.8842 2356.6797 0.0000 0.0000 51949.2734 -109353.4215 298.5532 -161302.6949 -108988.8741 299.8171 -129.1636 -103.8566 760902.6292 -16.2938 -16.2826 LDB: ============= START OF LOAD BALANCING ============== 11958.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11958.3 LDB: =============== DONE WITH MIGRATION ================ 11958.4 LDB: ============= START OF LOAD BALANCING ============== 11958.7 LDB: Largest compute 7032 load 0.034847 is 17.8% of average load 0.195375 LDB: Average compute 0.004396 is 2.2% of average load 0.195375 LDB: TIME 11958.7 LOAD: AVG 0.195375 MAX 0.219743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 11958.7 LOAD: AVG 0.195375 MAX 0.219743 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 11958.7 LOAD: AVG 0.195375 MAX 0.217003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 11958.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11958.7 PRESSURE: 3760400 43.105 8.77656 177.516 8.77631 -496.897 238.367 177.517 238.367 -394.467 GPRESSURE: 3760400 98.0979 -85.6854 92.7903 -82.8013 -518.1 212.073 233.855 12.0703 -338.977 PRESSAVG: 3760400 54.5255 -44.0294 79.0028 -44.0294 -53.8353 4.84413 79.0029 4.84419 25.0018 GPRESSAVG: 3760400 56.1815 -43.1735 79.6036 -44.5448 -54.6068 4.86266 78.2557 6.30463 24.1453 TIMING: 3760400 CPU: 11946.5, 0.00321872/step Wall: 11946.5, 0.00321872/step, 1.10831 hours remaining, 240.808594 MB of memory in use. ENERGY: 3760400 4000.7405 20384.1856 14406.4744 234.7223 -203167.5368 2374.5448 0.0000 0.0000 52211.4991 -109555.3701 300.0602 -161766.8691 -109176.9844 298.9825 -282.7532 -252.9931 761470.1234 8.5640 8.5734 PRESSURE: 3760600 122.174 -89.203 115.341 -89.2035 84.5475 -39.0442 115.341 -39.0445 -165.743 GPRESSURE: 3760600 142.001 -6.22732 66.2154 23.6901 132.827 -57.2566 139.874 30.6101 -144.964 PRESSAVG: 3760600 38.8477 11.2222 16.4643 11.2222 -4.87694 32.9449 16.4643 32.9449 16.4962 GPRESSAVG: 3760600 37.7012 8.5393 16.378 12.9533 -5.10529 31.8983 17.0686 32.9837 18.0891 TIMING: 3760600 CPU: 11947.2, 0.00313732/step Wall: 11947.2, 0.00313732/step, 1.08011 hours remaining, 241.011719 MB of memory in use. ENERGY: 3760600 3993.0877 20538.7449 14431.5010 247.4977 -203430.6870 2626.2612 0.0000 0.0000 52057.0759 -109536.5188 299.1727 -161593.5947 -109180.5557 299.3124 13.6594 43.2880 758492.0469 16.8223 16.8950 PRESSURE: 3760800 -240.272 135.257 -54.4291 135.257 70.4157 207.666 -54.4298 207.666 -127.36 GPRESSURE: 3760800 -161.387 91.7758 -50.3012 -16.881 129.341 210.735 -104.356 290.857 -165.825 PRESSAVG: 3760800 12.6783 -32.6139 21.0382 -32.614 -0.275297 41.0541 21.0382 41.0541 12.0433 GPRESSAVG: 3760800 12.4239 -31.9393 20.6932 -34.8234 -0.392248 42.1234 20.3335 42.0886 11.7652 TIMING: 3760800 CPU: 11947.8, 0.00313953/step Wall: 11947.8, 0.00313953/step, 1.0807 hours remaining, 241.011719 MB of memory in use. ENERGY: 3760800 3984.2794 20562.7822 14460.0599 245.3031 -203277.5801 2358.5729 0.0000 0.0000 52094.7872 -109571.7953 299.3895 -161666.5825 -109216.7321 299.2185 -99.0720 -65.9569 759851.2100 8.1488 7.9323 PRESSURE: 3761000 -120.161 -64.2381 116.473 -64.2383 -455.767 159.051 116.473 159.05 -124.693 GPRESSURE: 3761000 -23.9562 -4.96481 99.4778 5.49432 -442.975 209.572 73.9791 70.7093 -148.215 PRESSAVG: 3761000 28.3629 -23.5624 51.5684 -23.5623 -14.0094 46.8792 51.5684 46.8793 4.48916 GPRESSAVG: 3761000 29.9423 -20.6553 51.08 -24.4232 -13.8776 47.0422 51.4093 45.0926 3.03471 TIMING: 3761000 CPU: 11948.4, 0.00316585/step Wall: 11948.4, 0.00316585/step, 1.08958 hours remaining, 241.011719 MB of memory in use. ENERGY: 3761000 3951.4211 20384.2822 14508.0043 264.2856 -203153.6110 2387.4113 0.0000 0.0000 52429.5797 -109228.6268 301.3135 -161658.2065 -108853.8684 299.2740 -233.5404 -205.0485 759767.0781 6.2809 6.3665 PRESSURE: 3761200 3.53799 89.2519 -40.8786 89.2516 20.793 -143.318 -40.8784 -143.317 366.491 GPRESSURE: 3761200 -26.6081 132.328 37.1628 -99.3863 19.5878 -110.037 20.3906 -175.381 483.054 PRESSAVG: 3761200 -5.6266 -21.3322 -30.2861 -21.3322 -19.7121 9.42613 -30.2862 9.42619 -8.03983 GPRESSAVG: 3761200 -6.4105 -21.3344 -30.2537 -21.6577 -19.5469 8.71226 -28.8631 9.39106 -7.59248 TIMING: 3761200 CPU: 11949.1, 0.00314074/step Wall: 11949.1, 0.00314074/step, 1.08076 hours remaining, 241.011719 MB of memory in use. ENERGY: 3761200 4001.6277 20487.7057 14516.2994 240.8762 -203370.2915 2614.9032 0.0000 0.0000 52074.1380 -109434.7413 299.2708 -161508.8793 -109080.2003 300.0601 130.2740 158.6781 760512.8680 -11.1262 -11.1833 PRESSURE: 3761400 346.961 55.553 215.22 55.5536 254.286 -74.5452 215.221 -74.5445 333.456 GPRESSURE: 3761400 325.287 126.989 283.246 50.536 286.727 -194.748 260.282 -21.6069 413.617 PRESSAVG: 3761400 -3.81112 -19.7416 -31.1225 -19.7416 23.1706 1.8328 -31.1225 1.83287 8.82874 GPRESSAVG: 3761400 -3.88347 -21.0882 -29.7272 -18.751 22.4818 1.40519 -33.3536 1.50786 9.56957 TIMING: 3761400 CPU: 11949.7, 0.00314477/step Wall: 11949.7, 0.00314477/step, 1.08198 hours remaining, 241.011719 MB of memory in use. ENERGY: 3761400 4016.3591 20559.7865 14514.2971 248.8274 -203645.4009 2800.4583 0.0000 0.0000 52161.0235 -109344.6491 299.7701 -161505.6726 -108971.4116 299.2817 311.5677 341.8771 759182.8630 9.3961 9.3893 PRESSURE: 3761600 -76.7555 -196.605 198.5 -196.604 -378.343 -69.9946 198.499 -69.9945 311.758 GPRESSURE: 3761600 -152.289 -102.724 233.964 -140.737 -234.493 -59.4283 130.385 -72.6135 324.606 PRESSAVG: 3761600 37.3172 12.7458 21.8357 12.7458 -0.621612 35.8845 21.8357 35.8846 -16.202 GPRESSAVG: 3761600 35.7941 14.2239 21.0502 14.9029 -0.301519 36.6548 22.4319 38.3022 -14.9544 TIMING: 3761600 CPU: 11950.3, 0.00314052/step Wall: 11950.3, 0.00314052/step, 1.08034 hours remaining, 241.011719 MB of memory in use. ENERGY: 3761600 3954.1263 20624.8755 14535.2425 248.3353 -203141.8141 2291.7725 0.0000 0.0000 52036.6639 -109450.7980 299.0554 -161487.4619 -109089.3182 299.8065 -47.7801 -20.7254 759527.0330 6.8312 6.8461 PRESSURE: 3761800 -112.298 -87.9434 -96.9056 -87.9441 -198.227 -268.914 -96.9052 -268.914 -162.069 GPRESSURE: 3761800 -94.5902 -16.7244 -138.701 -181.418 -176.04 -249.153 -55.4875 -259.374 -113.847 PRESSAVG: 3761800 -16.7457 21.9996 33.4622 21.9996 4.16815 -1.47001 33.4622 -1.46998 11.4558 GPRESSAVG: 3761800 -15.7164 19.3015 32.2572 17.5366 4.2352 -2.43154 34.734 -0.294709 9.74741 TIMING: 3761800 CPU: 11950.9, 0.00316605/step Wall: 11950.9, 0.00316605/step, 1.08895 hours remaining, 241.011719 MB of memory in use. ENERGY: 3761800 3984.1689 20445.1408 14478.1517 240.2129 -202904.2741 2578.8049 0.0000 0.0000 52000.5602 -109177.2348 298.8479 -161177.7950 -108820.7759 299.6510 -157.5315 -128.1589 762608.6392 -0.3739 -0.5779 PRESSURE: 3762000 -211.548 125.62 91.1095 125.62 35.4917 103.229 91.1102 103.229 -52.9237 GPRESSURE: 3762000 -179.385 32.1907 9.58472 226.183 80.5053 137.053 212.993 -50.3734 -39.7597 PRESSAVG: 3762000 -27.8017 -58.7372 0.44911 -58.7372 10.6888 -11.0591 0.449113 -11.0592 4.0867 GPRESSAVG: 3762000 -28.3055 -57.0637 1.66194 -55.6513 10.9946 -9.01563 -0.11603 -15.2481 4.64761 TIMING: 3762000 CPU: 11951.6, 0.00314948/step Wall: 11951.6, 0.00314948/step, 1.08307 hours remaining, 241.011719 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: 3762000 4044.2602 20448.6758 14445.2068 250.4053 -203062.5343 2415.8854 0.0000 0.0000 52203.2429 -109254.8578 300.0128 -161458.1007 -108886.7288 300.4021 -76.3267 -46.2130 762523.2024 -4.3421 -4.2211 PRESSURE: 3762200 -179.035 49.0759 -140.565 49.0755 -43.5308 82.7272 -140.566 82.7277 -261.204 GPRESSURE: 3762200 -74.3041 -111.229 -82.3037 -67.1016 -107.655 24.5109 -105.128 233.372 -225.792 PRESSAVG: 3762200 0.10595 10.1606 0.386863 10.1606 -18.3877 75.3107 0.386877 75.3107 3.22761 GPRESSAVG: 3762200 0.871919 11.8211 -0.894683 8.81873 -18.8205 73.7439 1.09521 76.8101 2.87671 TIMING: 3762200 CPU: 11952.2, 0.00315964/step Wall: 11952.2, 0.00315964/step, 1.08639 hours remaining, 241.011719 MB of memory in use. ENERGY: 3762200 3963.3245 20586.2833 14468.0445 237.1310 -203109.6338 2312.5590 0.0000 0.0000 52018.9922 -109523.2993 298.9539 -161542.2915 -109161.7498 299.4146 -161.2567 -135.9168 762112.5520 -5.0181 -5.0240 PRESSURE: 3762400 -170.256 58.7532 -106.396 58.7533 412.839 -52.988 -106.396 -52.9873 620.251 GPRESSURE: 3762400 -139.149 123.314 -33.1025 7.31065 407.378 -103.77 -88.2555 -29.1828 668.444 PRESSAVG: 3762400 -28.7437 11.7895 -11.4122 11.7895 5.45696 -16.0672 -11.4121 -16.0672 21.7727 GPRESSAVG: 3762400 -29.0071 10.6832 -10.3537 11.3825 5.76823 -17.2266 -9.59104 -13.8283 21.6103 TIMING: 3762400 CPU: 11952.8, 0.00313952/step Wall: 11952.8, 0.00313952/step, 1.0793 hours remaining, 241.011719 MB of memory in use. ENERGY: 3762400 3934.3537 20639.4009 14521.2593 237.4875 -203537.5455 2798.2397 0.0000 0.0000 51952.3336 -109454.4708 298.5708 -161406.8044 -109093.3317 299.1467 287.6113 312.2242 760302.1862 -0.5047 -0.5429 PRESSURE: 3762600 30.982 -138.523 81.4526 -138.523 56.0432 6.8713 81.4534 6.87129 8.1088 GPRESSURE: 3762600 120.073 -26.6077 39.1175 -111.583 49.1621 -34.384 57.4311 -73.4638 11.6832 PRESSAVG: 3762600 -8.78076 -8.86985 -15.2899 -8.86985 34.6078 16.4378 -15.29 16.4377 29.8733 GPRESSAVG: 3762600 -9.16577 -8.99148 -14.7658 -8.20987 36.1029 17.1557 -17.814 15.1163 29.4998 TIMING: 3762600 CPU: 11953.5, 0.0031479/step Wall: 11953.5, 0.0031479/step, 1.082 hours remaining, 241.011719 MB of memory in use. ENERGY: 3762600 3975.1705 20485.1312 14568.1134 255.5925 -203714.2835 2779.3238 0.0000 0.0000 52244.8977 -109406.0542 300.2521 -161650.9519 -109039.3869 299.5134 31.7114 60.3062 760840.7124 18.5668 18.8123 PRESSURE: 3762800 17.1771 -3.36982 24.1841 -3.37013 53.1499 -50.7886 24.1842 -50.7868 87.7908 GPRESSURE: 3762800 127.288 13.6691 -53.9369 -12.3189 1.9907 -23.7677 -61.5817 -106.582 128.612 PRESSAVG: 3762800 -4.6932 -15.9204 -53.2832 -15.9205 16.6842 48.2693 -53.2832 48.2693 1.76261 GPRESSAVG: 3762800 -3.53817 -16.26 -53.1739 -14.9851 15.4235 48.5312 -53.3743 48.1956 1.63097 TIMING: 3762800 CPU: 11954.1, 0.00315494/step Wall: 11954.1, 0.00315494/step, 1.08425 hours remaining, 241.011719 MB of memory in use. ENERGY: 3762800 3943.8551 20465.8891 14590.7571 255.4579 -203156.2129 2371.6858 0.0000 0.0000 52072.4604 -109456.1075 299.2611 -161528.5679 -109086.1017 299.7411 52.7059 85.9635 760385.6899 4.5845 4.5054 PRESSURE: 3763000 -9.57367 0.0122651 -51.6633 0.0122535 149.469 93.5215 -51.6625 93.5219 -16.0678 GPRESSURE: 3763000 65.3877 41.7258 -46.0928 -34.1101 179.87 43.6025 -60.0218 144.691 -28.478 PRESSAVG: 3763000 41.7733 -16.8348 -27.4232 -16.8348 -43.7739 -4.87268 -27.4232 -4.87269 3.57564 GPRESSAVG: 3763000 40.9077 -16.7106 -26.9314 -15.8711 -43.1539 -4.84323 -26.55 -5.10097 3.3195 TIMING: 3763000 CPU: 11954.7, 0.00313252/step Wall: 11954.7, 0.00313252/step, 1.07637 hours remaining, 241.011719 MB of memory in use. ENERGY: 3763000 4034.3101 20498.2737 14557.8419 229.2296 -203396.6808 2744.0276 0.0000 0.0000 51742.2310 -109590.7669 297.3633 -161332.9979 -109234.2258 299.2177 41.2759 72.2599 760196.5396 0.5250 0.3577 PRESSURE: 3763200 321.863 142.092 -74.0804 142.093 46.2515 -26.1547 -74.08 -26.1549 260.212 GPRESSURE: 3763200 370.387 87.1606 -49.4768 201.276 52.2065 9.6261 -49.9328 -72.4939 301.459 PRESSAVG: 3763200 39.9939 -68.2331 -23.6065 -68.2332 -55.3651 -20.3228 -23.6065 -20.3228 -4.65058 GPRESSAVG: 3763200 39.7011 -68.2348 -26.6388 -68.1238 -55.4646 -20.5828 -23.179 -18.4868 -4.304 TIMING: 3763200 CPU: 11955.4, 0.00316575/step Wall: 11955.4, 0.00316575/step, 1.08761 hours remaining, 241.011719 MB of memory in use. ENERGY: 3763200 3983.9028 20416.4344 14464.9419 257.5110 -203788.9581 2911.9054 0.0000 0.0000 52160.0052 -109594.2572 299.7643 -161754.2624 -109238.5952 299.4159 209.4423 241.3511 759737.5552 -6.6739 -6.6892 PRESSURE: 3763400 -182.908 19.8033 21.8582 19.8038 67.2808 160.235 21.8586 160.237 24.6926 GPRESSURE: 3763400 -114.944 103.181 22.2179 -33.6396 39.6635 44.6931 26.3253 193.738 45.0208 PRESSAVG: 3763400 58.5529 -26.2827 -8.21477 -26.2827 -33.1368 62.3267 -8.21474 62.3267 -3.0469 GPRESSAVG: 3763400 59.0597 -24.0722 -6.9081 -27.2222 -33.4128 63.6059 -7.92439 60.0369 -3.28384 TIMING: 3763400 CPU: 11956, 0.00317284/step Wall: 11956, 0.00317284/step, 1.08987 hours remaining, 241.011719 MB of memory in use. ENERGY: 3763400 3923.4878 20467.2603 14494.9648 255.5698 -203661.1062 2548.9998 0.0000 0.0000 52155.4444 -109815.3792 299.7381 -161970.8236 -109446.0807 299.0417 -30.3116 -10.0864 760163.1228 7.4564 7.4543 PRESSURE: 3763600 78.4506 -239.575 187.199 -239.575 -73.89 79.5281 187.199 79.5283 159.687 GPRESSURE: 3763600 149.665 -350.036 264.103 -163.44 -81.9114 76.3353 132.323 88.7419 178.754 PRESSAVG: 3763600 57.0958 5.08707 2.22048 5.08708 -37.859 -13.8103 2.22043 -13.8102 20.5194 GPRESSAVG: 3763600 57.2579 2.91421 4.72043 5.35832 -38.6771 -16.5685 -1.21176 -11.9321 20.8385 TIMING: 3763600 CPU: 11956.6, 0.00315709/step Wall: 11956.6, 0.00315709/step, 1.08429 hours remaining, 241.011719 MB of memory in use. ENERGY: 3763600 3988.1926 20536.3248 14638.8317 249.4021 -204148.9721 3013.5955 0.0000 0.0000 51957.3410 -109765.2845 298.5996 -161722.6255 -109410.2557 298.5380 54.7492 82.1693 760271.9849 13.2521 13.1398 PRESSURE: 3763800 425.61 -93.8267 -151.735 -93.8276 -140.442 133.403 -151.735 133.405 248.527 GPRESSURE: 3763800 398.427 9.19921 -165.156 -29.6001 32.0144 40.4182 -69.8023 90.5929 182.494 PRESSAVG: 3763800 -18.7326 -20.1285 17.9179 -20.1285 17.4668 37.307 17.9179 37.3069 -15.9224 GPRESSAVG: 3763800 -18.905 -19.4937 15.9094 -18.4997 19.0719 39.0737 19.656 36.8854 -17.3081 TIMING: 3763800 CPU: 11957.3, 0.00315729/step Wall: 11957.3, 0.00315729/step, 1.08418 hours remaining, 241.011719 MB of memory in use. ENERGY: 3763800 3901.8546 20443.7694 14563.6653 247.0617 -203299.8928 2538.9365 0.0000 0.0000 51954.2977 -109650.3076 298.5821 -161604.6052 -109287.7098 298.8738 177.8983 204.3115 762269.4293 -5.7294 -5.7137 PRESSURE: 3764000 -98.1433 -179.759 90.0505 -179.758 201.77 -16.0112 90.0497 -16.0113 -38.9245 GPRESSURE: 3764000 -57.8017 -64.8436 178.969 -197.363 218.119 41.2474 154.503 -34.3401 -11.7504 PRESSAVG: 3764000 -11.0171 -6.07854 12.8768 -6.07848 26.5829 3.47068 12.8767 3.47068 -5.46983 GPRESSAVG: 3764000 -10.6601 -4.20856 15.0612 -7.28026 25.0392 3.3265 13.5694 4.81828 -4.55694 TIMING: 3764000 CPU: 11957.9, 0.00312952/step Wall: 11957.9, 0.00312952/step, 1.07447 hours remaining, 241.011719 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: 3764000 3950.9470 20453.9567 14564.9984 261.4770 -203387.5440 2728.7108 0.0000 0.0000 51855.4019 -109572.0523 298.0137 -161427.4541 -109216.9524 299.1257 21.5675 49.5224 761965.2223 3.3653 3.2741 PRESSURE: 3764200 -277.299 0.920484 40.7322 0.921405 -48.8796 187.185 40.7335 187.186 98.7375 GPRESSURE: 3764200 -207.456 12.1986 37.8241 -23.7462 -77.2191 104.16 8.34046 245.696 153.422 PRESSAVG: 3764200 2.88948 -45.8788 -37.7906 -45.8788 -11.3751 -15.4234 -37.7905 -15.4234 9.84188 GPRESSAVG: 3764200 3.91382 -47.5009 -38.3018 -46.6203 -10.9424 -15.6254 -37.5526 -16.2356 9.12109 TIMING: 3764200 CPU: 11958.5, 0.00314162/step Wall: 11958.5, 0.00314162/step, 1.07845 hours remaining, 241.011719 MB of memory in use. ENERGY: 3764200 3992.4964 20520.5006 14484.3750 224.5304 -203352.1179 2542.9047 0.0000 0.0000 51898.1673 -109689.1434 298.2595 -161587.3107 -109328.6461 299.1808 -75.8138 -43.7510 761147.8995 0.4521 0.6975 LDB: ============= START OF LOAD BALANCING ============== 11971 LDB: ============== END OF LOAD BALANCING =============== 11971 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11971 LDB: ============= START OF LOAD BALANCING ============== 11971.3 LDB: Largest compute 7032 load 0.033595 is 17.2% of average load 0.195296 LDB: Average compute 0.004389 is 2.2% of average load 0.195296 LDB: TIME 11971.3 LOAD: AVG 0.195296 MAX 0.217647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 11971.3 LOAD: AVG 0.195296 MAX 0.217647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 11971.3 LOAD: AVG 0.195296 MAX 0.217647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 11971.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11971.3 PRESSURE: 3764400 106.367 -201.106 59.2933 -201.106 29.3921 98.9189 59.294 98.9191 180.61 GPRESSURE: 3764400 81.7809 -29.6989 65.8738 -176.557 156.54 98.395 -115.087 54.9373 144.566 PRESSAVG: 3764400 8.24095 -76.3054 1.29261 -76.3055 2.06158 -13.6039 1.2926 -13.6039 2.02381 GPRESSAVG: 3764400 6.92034 -74.7023 2.2306 -77.4553 2.66462 -13.4511 1.23816 -14.9588 2.23095 TIMING: 3764400 CPU: 11959.2, 0.0032131/step Wall: 11959.2, 0.0032131/step, 1.10281 hours remaining, 241.070312 MB of memory in use. ENERGY: 3764400 3950.1506 20524.5961 14432.4037 253.4342 -203326.7854 2353.0516 0.0000 0.0000 52057.7878 -109755.3614 299.1768 -161813.1492 -109393.2115 298.8710 105.4564 127.6289 760288.0304 4.1088 3.9386 PRESSURE: 3764600 120.323 -47.6205 -6.20571 -47.6219 -30.9761 76.9292 -6.20592 76.9283 179.969 GPRESSURE: 3764600 197.181 -58.2906 -34.4315 -51.3928 94.215 92.2614 -182.99 26.7501 59.6985 PRESSAVG: 3764600 -10.979 -72.4197 -1.68843 -72.4196 -6.8978 72.8149 -1.68834 72.815 -2.40552 GPRESSAVG: 3764600 -10.248 -71.3505 -2.24897 -73.2129 -8.52184 72.7665 -2.88163 72.1404 -1.76158 TIMING: 3764600 CPU: 11959.8, 0.00317222/step Wall: 11959.8, 0.00317222/step, 1.0886 hours remaining, 241.070312 MB of memory in use. ENERGY: 3764600 3937.7799 20343.6232 14414.0490 234.7897 -203350.2746 2386.6241 0.0000 0.0000 52320.1504 -109713.2583 300.6846 -162033.4087 -109340.8817 299.1616 89.7719 117.0316 760885.6844 -6.7608 -6.8438 PRESSURE: 3764800 44.1865 -108.614 -1.291 -108.614 -90.1199 -90.443 -1.29037 -90.4431 -317.88 GPRESSURE: 3764800 64.5087 -99.5845 55.7205 -70.1961 -133.769 -32.3443 59.0967 -125.724 -218.125 PRESSAVG: 3764800 5.2959 -6.6243 12.9663 -6.62433 -5.9056 38.9194 12.9663 38.9194 -15.9828 GPRESSAVG: 3764800 4.61918 -7.11122 13.3127 -4.39743 -5.77459 40.6789 15.0265 39.9692 -15.8804 TIMING: 3764800 CPU: 11960.4, 0.00316282/step Wall: 11960.4, 0.00316282/step, 1.0852 hours remaining, 241.070312 MB of memory in use. ENERGY: 3764800 3956.8810 20506.1917 14474.4774 269.9360 -203361.8399 2389.4351 0.0000 0.0000 52044.4916 -109720.4270 299.1004 -161764.9187 -109352.2273 298.5910 -121.2710 -95.7951 761222.1175 -5.5308 -5.6786 PRESSURE: 3765000 -172.058 32.024 -22.8117 32.0243 -115.187 -7.00911 -22.8111 -7.00876 -114.999 GPRESSURE: 3765000 -82.8864 53.2583 -83.5451 35.4578 -118.612 79.2682 -161.156 -41.8201 -115.663 PRESSAVG: 3765000 41.3428 -29.9654 34.6055 -29.9655 -28.2846 -22.2017 34.6055 -22.2017 0.323172 GPRESSAVG: 3765000 40.1063 -31.3109 33.9326 -29.8222 -27.2573 -23.7642 34.7256 -21.5465 0.805809 TIMING: 3765000 CPU: 11961.1, 0.00316338/step Wall: 11961.1, 0.00316338/step, 1.08522 hours remaining, 241.070312 MB of memory in use. ENERGY: 3765000 3917.5258 20669.3453 14430.6742 239.6315 -203598.3632 2519.8762 0.0000 0.0000 51878.7545 -109942.5557 298.1479 -161821.3102 -109583.4290 299.1857 -134.0812 -105.7206 760831.4966 4.4604 4.5516 PRESSURE: 3765200 -135.773 44.6703 99.2559 44.6701 -333.602 37.0706 99.2574 37.0701 -435.484 GPRESSURE: 3765200 -55.9513 149.662 149.735 107.113 -291.017 25.8574 66.0219 75.4341 -465.53 PRESSAVG: 3765200 -5.20543 -13.2206 73.3379 -13.2205 21.0437 -3.52474 73.338 -3.52478 5.18389 GPRESSAVG: 3765200 -4.79413 -11.0542 71.522 -12.1291 22.151 -5.35865 72.6123 -2.89153 4.12579 TIMING: 3765200 CPU: 11961.7, 0.00316448/step Wall: 11961.7, 0.00316448/step, 1.08542 hours remaining, 241.070312 MB of memory in use. ENERGY: 3765200 3917.7097 20420.4113 14551.7616 234.2970 -203689.6430 2521.7599 0.0000 0.0000 52101.3283 -109942.3751 299.4270 -162043.7034 -109571.0745 298.4073 -301.6197 -270.8330 761108.6916 7.0074 7.1609 PRESSURE: 3765400 174.147 56.7276 134.005 56.728 -159.34 127.1 134.005 127.101 -99.4993 GPRESSURE: 3765400 226.86 14.6917 49.5735 42.7475 -92.2433 163.609 168.901 89.7025 -121.585 PRESSAVG: 3765400 -8.13784 3.99209 35.3687 3.99202 -22.8993 50.3359 35.3686 50.3359 12.4135 GPRESSAVG: 3765400 -7.36816 0.0363525 38.4615 5.02271 -23.4614 51.718 34.6318 51.0213 11.808 TIMING: 3765400 CPU: 11962.3, 0.00316215/step Wall: 11962.3, 0.00316215/step, 1.08444 hours remaining, 241.070312 MB of memory in use. ENERGY: 3765400 3973.1564 20606.4525 14380.0297 253.1830 -203477.7760 2396.2635 0.0000 0.0000 52143.0265 -109725.6644 299.6667 -161868.6909 -109362.2900 298.8987 -28.2308 4.3437 759009.2229 -6.2079 -6.3405 PRESSURE: 3765600 36.4832 -128.729 174.193 -128.728 92.1983 121.23 174.193 121.23 -273.64 GPRESSURE: 3765600 61.5741 -201.522 214.319 -205.473 74.3713 174.288 42.0935 45.9876 -201.129 PRESSAVG: 3765600 115.887 -45.0074 -14.8853 -45.0073 -53.6713 48.3308 -14.8853 48.3307 -5.94737 GPRESSAVG: 3765600 113.991 -43.1558 -16.2377 -47.9694 -53.7626 47.6635 -15.448 46.1603 -3.95151 TIMING: 3765600 CPU: 11963, 0.00316658/step Wall: 11963, 0.00316658/step, 1.08578 hours remaining, 241.070312 MB of memory in use. ENERGY: 3765600 3893.0830 20481.0783 14597.0334 233.6872 -203728.9836 2490.4799 0.0000 0.0000 52135.3361 -109898.2858 299.6225 -162033.6219 -109531.2598 298.6457 -48.3196 -21.7277 757589.5572 18.7560 18.7589 PRESSURE: 3765800 -206.109 101.618 -15.273 101.617 -245.084 -65.6347 -15.2727 -65.6348 -25.5661 GPRESSURE: 3765800 -171.274 81.2981 25.6583 134.463 -77.5856 -91.0834 -3.18887 -118.939 -120.752 PRESSAVG: 3765800 7.05539 -58.1575 -8.57648 -58.1575 28.5455 -5.35284 -8.57647 -5.35283 -2.70573 GPRESSAVG: 3765800 8.01328 -58.1053 -8.43324 -59.3004 28.0897 -5.21046 -7.80691 -5.62606 -3.58171 TIMING: 3765800 CPU: 11963.6, 0.0031481/step Wall: 11963.6, 0.0031481/step, 1.07927 hours remaining, 241.070312 MB of memory in use. ENERGY: 3765800 3975.7255 20586.9631 14496.9642 241.4648 -202979.8685 2135.9109 0.0000 0.0000 51868.8829 -109673.9572 298.0912 -161542.8401 -109313.4626 298.7547 -158.9198 -123.2038 759566.7537 10.9651 10.8404 PRESSURE: 3766000 -211.895 3.38734 -107 3.3881 -329.962 -10.3028 -107 -10.3037 -161.571 GPRESSURE: 3766000 -133.179 -25.707 -24.5602 -94.9664 -337.744 26.2996 -102.531 63.169 -148.72 PRESSAVG: 3766000 31.3228 -19.1447 52.1184 -19.1447 16.0603 53.4838 52.1184 53.4838 31.3312 GPRESSAVG: 3766000 31.0174 -21.499 52.4711 -14.396 16.0684 53.2391 52.0252 54.7635 31.1608 TIMING: 3766000 CPU: 11964.2, 0.0031508/step Wall: 11964.2, 0.0031508/step, 1.08002 hours remaining, 241.070312 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: 3766000 3988.9346 20564.5010 14484.7049 235.8636 -203538.4678 2560.7914 0.0000 0.0000 52013.2862 -109690.3861 298.9211 -161703.6723 -109319.5745 299.1872 -234.4759 -206.5475 760120.6021 26.2381 26.0822 PRESSURE: 3766200 66.7495 239.29 -193.093 239.291 -70.6643 224.922 -193.094 224.922 319.735 GPRESSURE: 3766200 83.4488 118.362 -198.835 316.861 -47.1346 160.255 -31.9818 287.108 336.3 PRESSAVG: 3766200 54.2317 13.6134 18.5616 13.6134 -34.5253 36.8148 18.5616 36.8149 13.584 GPRESSAVG: 3766200 53.7595 17.1123 18.8787 10.3064 -34.4833 37.5162 21.6571 36.108 14.1089 TIMING: 3766200 CPU: 11964.8, 0.00316414/step Wall: 11964.8, 0.00316414/step, 1.08442 hours remaining, 241.070312 MB of memory in use. ENERGY: 3766200 3951.8214 20375.2502 14543.4898 254.0620 -203570.0372 2492.3208 0.0000 0.0000 52139.6626 -109813.4304 299.6474 -161953.0929 -109432.8596 299.1823 105.2732 124.2046 759642.9166 11.0968 11.1284 PRESSURE: 3766400 71.0516 133.726 -172.361 133.726 121.22 281.529 -172.361 281.53 -383.442 GPRESSURE: 3766400 81.5415 89.5197 -258.185 151.26 138.48 239.121 -164.607 302.113 -298.836 PRESSAVG: 3766400 2.19233 35.5229 24.8742 35.5228 -5.62319 -27.5243 24.8741 -27.5243 29.3864 GPRESSAVG: 3766400 2.43833 34.6687 22.7601 36.2528 -4.43248 -27.4797 22.1175 -26.5726 28.3224 TIMING: 3766400 CPU: 11965.5, 0.00317068/step Wall: 11965.5, 0.00317068/step, 1.08649 hours remaining, 241.070312 MB of memory in use. ENERGY: 3766400 4042.6411 20492.0699 14410.3850 249.1393 -203601.8408 2661.0791 0.0000 0.0000 51991.2841 -109755.2424 298.7946 -161746.5264 -109397.7223 298.5985 -63.7235 -26.2715 760593.0455 8.6518 8.7761 PRESSURE: 3766600 120.921 14.6975 -144.941 14.6978 -34.3986 93.6986 -144.942 93.6981 45.3334 GPRESSURE: 3766600 193.333 -10.9211 -102.986 11.8942 -10.791 137.433 -69.0461 -0.0307682 38.2352 PRESSAVG: 3766600 16.252 13.8208 50.7463 13.8208 -23.5386 8.26418 50.7463 8.26421 -10.2308 GPRESSAVG: 3766600 16.8387 15.8374 51.9169 12.2244 -23.5845 8.12369 50.3517 7.28076 -10.9961 TIMING: 3766600 CPU: 11966.1, 0.00315182/step Wall: 11966.1, 0.00315182/step, 1.07985 hours remaining, 241.070312 MB of memory in use. ENERGY: 3766600 4041.7346 20411.3601 14451.3372 252.5668 -203534.2997 2503.9286 0.0000 0.0000 52032.0014 -109841.3710 299.0286 -161873.3725 -109485.6291 298.2623 43.9520 73.5923 761381.8378 -5.8392 -5.9140 PRESSURE: 3766800 363.335 -84.0363 -49.989 -84.0361 209.24 59.8862 -49.9892 59.8869 340.143 GPRESSURE: 3766800 418.314 -130.25 -5.19323 -28.5587 197.01 18.4698 -130.359 184.292 406.102 PRESSAVG: 3766800 -35.6688 -20.2393 8.81306 -20.2394 7.92995 10.076 8.81305 10.076 -1.69803 GPRESSAVG: 3766800 -36.2922 -22.2196 8.8844 -16.7048 7.49535 8.35076 9.06144 10.8712 -0.456861 TIMING: 3766800 CPU: 11966.7, 0.00315143/step Wall: 11966.7, 0.00315143/step, 1.07954 hours remaining, 241.070312 MB of memory in use. ENERGY: 3766800 4028.7155 20486.5427 14519.4828 250.9354 -203961.4376 2934.2346 0.0000 0.0000 51982.8869 -109758.6398 298.7464 -161741.5267 -109398.1776 298.6310 304.2393 340.4752 760801.4676 -9.8123 -9.7512 PRESSURE: 3767000 8.18235 73.0682 9.83987 73.068 -220.504 122.591 9.8395 122.591 191.702 GPRESSURE: 3767000 57.8476 27.9461 40.5099 1.32598 -150.817 143.228 -12.5414 192.443 170.493 PRESSAVG: 3767000 -18.4106 -31.7301 -54.2413 -31.7302 -43.166 -8.69098 -54.2413 -8.69097 1.80865 GPRESSAVG: 3767000 -17.5312 -31.0961 -54.0025 -32.7174 -43.3181 -7.4413 -53.6343 -8.94712 1.07753 TIMING: 3767000 CPU: 11967.4, 0.00314541/step Wall: 11967.4, 0.00314541/step, 1.0773 hours remaining, 241.070312 MB of memory in use. ENERGY: 3767000 3975.4965 20494.8118 14542.3921 242.8221 -203789.2452 2705.4073 0.0000 0.0000 51928.6381 -109899.6774 298.4346 -161828.3155 -109539.2802 298.6852 -6.8733 25.8412 761481.0690 -19.9226 -19.9239 PRESSURE: 3767200 216.185 -77.7762 378.745 -77.7762 -235.792 -334.604 378.745 -334.604 323.753 GPRESSURE: 3767200 254.864 -105.894 271.699 56.1999 -178.541 -306.092 332.946 -311.49 325.06 PRESSAVG: 3767200 57.8642 -10.2715 12.7139 -10.2714 -37.3436 -16.5986 12.714 -16.5986 14.551 GPRESSAVG: 3767200 59.1595 -11.0946 11.6685 -9.9849 -37.2861 -16.123 12.1779 -16.9875 12.9368 TIMING: 3767200 CPU: 11968, 0.0031587/step Wall: 11968, 0.0031587/step, 1.08168 hours remaining, 241.070312 MB of memory in use. ENERGY: 3767200 3989.7172 20456.3734 14541.4653 258.2668 -203873.2458 2882.4737 0.0000 0.0000 51964.5239 -109780.4254 298.6408 -161744.9494 -109434.3473 298.6657 101.3821 133.7943 759538.6552 11.6905 11.6034 PRESSURE: 3767400 134.971 -180.203 -133.172 -180.202 97.7965 164.621 -133.172 164.621 -201.309 GPRESSURE: 3767400 193.9 -108.983 -116.747 -231.401 107.347 70.1786 -31.3032 96.6032 -162.296 PRESSAVG: 3767400 60.5898 -42.6599 57.1851 -42.6599 -22.1567 -28.9384 57.1851 -28.9384 -14.3929 GPRESSAVG: 3767400 59.5613 -40.7853 56.7139 -43.7332 -23.2049 -29.1221 58.5787 -29.8779 -12.0407 TIMING: 3767400 CPU: 11968.6, 0.00315233/step Wall: 11968.6, 0.00315233/step, 1.07932 hours remaining, 241.070312 MB of memory in use. ENERGY: 3767400 4082.1330 20425.0159 14518.3250 265.1134 -203489.2437 2634.3223 0.0000 0.0000 51713.4316 -109850.9027 297.1978 -161564.3343 -109484.1065 298.8850 10.4861 46.3169 758987.4303 8.0134 8.1052 PRESSURE: 3767600 22.292 24.4486 -69.3478 24.449 -86.3138 89.0935 -69.3487 89.094 193.419 GPRESSURE: 3767600 20.9998 -22.4282 -133.873 -106.347 9.35557 -45.9546 -90.2369 109.255 185.977 PRESSAVG: 3767600 29.0025 -16.8369 -24.4873 -16.837 -23.5723 -0.771748 -24.4873 -0.77182 7.7134 GPRESSAVG: 3767600 28.4263 -21.3899 -22.5595 -17.5363 -21.5361 0.181723 -25.7109 -1.29369 6.50704 TIMING: 3767600 CPU: 11969.3, 0.00315227/step Wall: 11969.3, 0.00315227/step, 1.07913 hours remaining, 241.070312 MB of memory in use. ENERGY: 3767600 4052.3584 20447.8001 14431.0066 248.4521 -203691.9196 2806.6005 0.0000 0.0000 51771.8513 -109933.8506 297.5335 -161705.7019 -109574.3033 298.4268 43.1325 72.1108 761061.0275 4.3812 4.4658 PRESSURE: 3767800 -5.9265 -57.3164 -127.281 -57.3154 -0.927907 53.648 -127.282 53.6471 -160.745 GPRESSURE: 3767800 30.9022 -58.7609 -210.729 39.2513 -10.6639 53.7799 -101.02 80.7509 -112.133 PRESSAVG: 3767800 -12.697 -56.585 29.5258 -56.585 -8.85402 43.4986 29.5258 43.4987 -1.51158 GPRESSAVG: 3767800 -12.0315 -53.5532 28.7997 -57.0771 -9.92784 45.5421 30.2628 41.4048 -1.12858 TIMING: 3767800 CPU: 11969.9, 0.00314372/step Wall: 11969.9, 0.00314371/step, 1.07602 hours remaining, 241.070312 MB of memory in use. ENERGY: 3767800 3916.8495 20380.7840 14523.0808 229.9463 -203266.3760 2518.5773 0.0000 0.0000 51771.9860 -109925.1522 297.5343 -161697.1381 -109567.4447 298.1285 -55.8663 -30.6315 761238.9908 -7.6875 -7.6960 PRESSURE: 3768000 285.24 21.2868 274.79 21.2877 98.3684 153.84 274.789 153.84 -9.50566 GPRESSURE: 3768000 335.283 -4.75287 248.803 -90.5077 155.291 172.927 261.279 167.935 -22.9069 PRESSAVG: 3768000 28.3676 -36.0389 26.2448 -36.0389 -38.4779 5.31246 26.2448 5.31242 -0.253294 GPRESSAVG: 3768000 27.9301 -37.6981 26.0398 -33.8946 -38.1639 2.13746 27.4853 7.55393 -0.57171 TIMING: 3768000 CPU: 11970.5, 0.00315232/step Wall: 11970.5, 0.00315232/step, 1.07879 hours remaining, 241.070312 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: 3768000 4034.8777 20457.7200 14460.1738 251.0272 -203438.5888 2488.3290 0.0000 0.0000 51851.0678 -109895.3931 297.9888 -161746.4609 -109528.1469 297.9617 124.7008 155.8890 759103.6887 -3.4545 -3.6018 PRESSURE: 3768200 -11.056 108.239 -72.9204 108.239 63.053 96.3806 -72.9205 96.3808 380.988 GPRESSURE: 3768200 -27.1994 65.0947 -120.055 159.598 189.803 46.7616 -43.6259 158.7 337.534 PRESSAVG: 3768200 -5.10764 -61.6632 43.9122 -61.6631 -24.2699 6.53394 43.9123 6.53393 -7.55853 GPRESSAVG: 3768200 -4.86164 -61.8057 44.3166 -62.0925 -25.6678 8.07304 41.4337 4.60473 -6.72639 TIMING: 3768200 CPU: 11971.2, 0.0031664/step Wall: 11971.2, 0.0031664/step, 1.08344 hours remaining, 241.070312 MB of memory in use. ENERGY: 3768200 4014.8306 20392.1275 14504.2789 244.6628 -203283.9701 2309.8221 0.0000 0.0000 51864.2165 -109954.0317 298.0644 -161818.2482 -109597.7824 298.4062 144.3282 166.7126 758994.8520 -12.3120 -12.4186 LDB: ============= START OF LOAD BALANCING ============== 11983.6 LDB: ============== END OF LOAD BALANCING =============== 11983.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11983.6 LDB: ============= START OF LOAD BALANCING ============== 11983.9 LDB: Largest compute 7068 load 0.035567 is 18.2% of average load 0.195371 LDB: Average compute 0.004384 is 2.2% of average load 0.195371 LDB: TIME 11983.9 LOAD: AVG 0.195371 MAX 0.217725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.879 MB LDB: TIME 11983.9 LOAD: AVG 0.195371 MAX 0.217725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: TIME 11983.9 LOAD: AVG 0.195371 MAX 0.217725 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.883 MB LDB: ============== END OF LOAD BALANCING =============== 11983.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11983.9 PRESSURE: 3768400 -34.0196 120.252 107.956 120.251 82.8113 -65.2372 107.955 -65.2364 -287.281 GPRESSURE: 3768400 65.07 98.8442 194.281 168.229 85.6595 -55.5516 149.629 -65.0794 -305.664 PRESSAVG: 3768400 30.4481 25.1225 -10.4037 25.1225 -26.7235 3.37663 -10.4037 3.3767 -1.91182 GPRESSAVG: 3768400 30.4282 25.9742 -9.69308 24.9148 -25.1786 2.14813 -10.249 6.62072 -3.19987 TIMING: 3768400 CPU: 11971.8, 0.00324497/step Wall: 11971.8, 0.00324497/step, 1.11014 hours remaining, 242.859375 MB of memory in use. ENERGY: 3768400 3933.8627 20481.0451 14505.9801 257.4311 -203102.9068 2271.8771 0.0000 0.0000 51697.2590 -109955.4518 297.1049 -161652.7108 -109608.9253 298.0800 -79.4966 -51.6447 760933.6153 0.6043 0.6832 PRESSURE: 3768600 -124.839 28.4197 -184.312 28.4197 380.49 161.971 -184.312 161.971 337.838 GPRESSURE: 3768600 -57.5672 23.1914 -174.54 165.332 299.883 158.636 -260.681 136.674 444.421 PRESSAVG: 3768600 -8.87631 10.6375 30.7757 10.6375 17.0712 34.6689 30.7757 34.6689 26.9654 GPRESSAVG: 3768600 -7.94974 12.0607 31.349 9.94943 14.8451 34.9067 29.7478 34.3724 28.1594 TIMING: 3768600 CPU: 11972.4, 0.00319731/step Wall: 11972.4, 0.00319731/step, 1.09366 hours remaining, 243.062500 MB of memory in use. ENERGY: 3768600 3924.9074 20387.1709 14464.1422 229.2892 -203708.1972 2678.7850 0.0000 0.0000 51812.9522 -110210.9503 297.7697 -162023.9024 -109848.7543 297.3324 197.8297 228.9121 759230.8784 11.7201 11.6849 PRESSURE: 3768800 354.182 -20.8185 92.7665 -20.8178 -143.923 34.079 92.7673 34.0796 85.7016 GPRESSURE: 3768800 346.248 33.4682 31.9985 -115.957 -30.3274 -55.1281 215.297 33.5474 49.6065 PRESSAVG: 3768800 36.3769 -44.6585 45.5856 -44.6585 -16.1465 12.4731 45.5856 12.4731 -6.68685 GPRESSAVG: 3768800 35.6068 -45.6883 43.6148 -44.5551 -14.5078 11.2075 48.9783 10.6101 -7.40775 TIMING: 3768800 CPU: 11973.1, 0.00317269/step Wall: 11973.1, 0.00317269/step, 1.08506 hours remaining, 243.062500 MB of memory in use. ENERGY: 3768800 4005.2677 20315.0890 14528.1691 250.3343 -203403.3833 2382.7753 0.0000 0.0000 51895.8956 -110025.8524 298.2464 -161921.7480 -109667.7085 297.4905 98.6536 121.8424 761277.2707 4.5145 4.5637 PRESSURE: 3769000 -36.989 -318.858 -82.0582 -318.858 114.849 -17.4075 -82.0579 -17.4079 -441.315 GPRESSURE: 3769000 15.1839 -339.7 12.024 -289.256 135.529 -56.995 -68.9002 71.2463 -421.536 PRESSAVG: 3769000 9.141 -16.1426 12.7074 -16.1425 -23.4642 14.1898 12.7074 14.1898 -22.1118 GPRESSAVG: 3769000 8.76028 -17.0506 12.5457 -15.2056 -24.3831 16.2663 10.1807 17.6227 -20.9952 TIMING: 3769000 CPU: 11973.7, 0.00315861/step Wall: 11973.7, 0.00315861/step, 1.08007 hours remaining, 243.062500 MB of memory in use. ENERGY: 3769000 4045.7598 20439.8172 14429.5155 235.4053 -203043.1943 2258.0642 0.0000 0.0000 51571.8700 -110062.7623 296.3842 -161634.6323 -109707.5728 297.7783 -121.1515 -90.2742 761608.8150 -12.1450 -12.2060 PRESSURE: 3769200 76.9496 140.575 151.438 140.575 11.2252 61.7803 151.438 61.7799 -32.5203 GPRESSURE: 3769200 167.736 41.6277 251.697 147.633 11.3701 125.17 277.579 28.2248 -52.4716 PRESSAVG: 3769200 -12.9414 -9.42249 31.7115 -9.42252 28.6439 -7.68328 31.7114 -7.68332 -2.85079 GPRESSAVG: 3769200 -11.9919 -7.482 31.3292 -12.1092 28.7668 -8.1117 31.5251 -9.17746 -3.6124 TIMING: 3769200 CPU: 11974.3, 0.00315896/step Wall: 11974.3, 0.00315896/step, 1.08001 hours remaining, 243.062500 MB of memory in use. ENERGY: 3769200 3917.8391 20577.7996 14468.7780 237.3117 -203801.4696 2679.0008 0.0000 0.0000 51726.9907 -110193.7497 297.2757 -161920.7404 -109827.3485 297.6996 18.5515 42.2116 760776.3334 4.2839 4.3875 PRESSURE: 3769400 -150.771 -40.5919 105.294 -40.5906 -290.32 241.903 105.293 241.903 -114.116 GPRESSURE: 3769400 -110.843 -13.9564 27.1558 -145.959 -294.557 233.805 61.798 117.545 -68.9492 PRESSAVG: 3769400 -13.5893 -14.5147 46.2474 -14.5147 39.0046 8.54634 46.2475 8.54634 1.66476 GPRESSAVG: 3769400 -12.4635 -16.0651 46.8039 -13.5814 38.3346 6.51802 45.1865 9.03205 1.64687 TIMING: 3769400 CPU: 11975, 0.00319137/step Wall: 11975, 0.00319137/step, 1.09092 hours remaining, 243.062500 MB of memory in use. ENERGY: 3769400 3974.2634 20268.3841 14400.4744 246.4380 -203242.1945 2335.9014 0.0000 0.0000 51872.0827 -110144.6506 298.1096 -162016.7333 -109786.2489 297.3713 -185.0688 -158.1164 762544.3426 9.0267 9.1727 PRESSURE: 3769600 -238.561 -195.276 -347.252 -195.276 -199.255 -66.4762 -347.251 -66.4748 200.99 GPRESSURE: 3769600 -227.833 -174.333 -354.698 -160.184 -141.543 -33.7537 -275.514 -38.3209 235.13 PRESSAVG: 3769600 15.6358 -59.772 -4.78528 -59.772 -3.87519 -1.18465 -4.78531 -1.18469 7.39415 GPRESSAVG: 3769600 13.4951 -60.7676 -5.51563 -59.3943 -4.65423 2.34203 -3.09116 -3.67134 9.53817 TIMING: 3769600 CPU: 11975.6, 0.00318649/step Wall: 11975.6, 0.00318649/step, 1.08907 hours remaining, 243.062500 MB of memory in use. ENERGY: 3769600 3922.3710 20395.4256 14420.9046 237.3239 -203861.6058 2820.0689 0.0000 0.0000 51883.7938 -110181.7179 298.1769 -162065.5118 -109837.2023 297.7505 -78.9420 -44.7489 762797.3182 6.3849 6.1263 PRESSURE: 3769800 35.8501 0.0554504 86.355 0.0552737 12.7063 -119.473 86.3545 -119.473 474.166 GPRESSURE: 3769800 4.14182 115.499 28.7406 14.7241 101.332 -143.906 195.949 -15.2659 505.394 PRESSAVG: 3769800 -26.1187 -39.3227 -17.2113 -39.3226 30.6689 -15.3522 -17.2113 -15.3523 0.449913 GPRESSAVG: 3769800 -26.5565 -37.0587 -15.0073 -39.6925 33.442 -14.229 -18.0443 -14.5496 -1.02149 TIMING: 3769800 CPU: 11976.2, 0.0031785/step Wall: 11976.2, 0.0031785/step, 1.08616 hours remaining, 243.062500 MB of memory in use. ENERGY: 3769800 3977.4193 20349.9648 14400.2045 245.2275 -203386.4022 2581.8732 0.0000 0.0000 51671.3691 -110160.3438 296.9561 -161831.7128 -109801.6719 297.4533 174.2407 203.6227 758972.7857 1.6667 1.9547 PRESSURE: 3770000 -120.557 -236.261 -72.4375 -236.259 152.13 -121.834 -72.4371 -121.834 27.7223 GPRESSURE: 3770000 -77.4488 -297.01 -66.6409 -190.843 118.813 -119.729 -176.834 -80.9031 95.6051 PRESSAVG: 3770000 -9.37826 -4.57535 -32.3813 -4.57539 37.3166 -20.8749 -32.3813 -20.8748 -0.534541 GPRESSAVG: 3770000 -7.86041 -4.70665 -33.6036 -6.46735 35.035 -24.6687 -31.9625 -18.5074 -0.375426 TIMING: 3770000 CPU: 11976.9, 0.00319292/step Wall: 11976.9, 0.00319292/step, 1.09092 hours remaining, 243.062500 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: 3770000 3859.5682 20517.4609 14457.1555 236.8931 -203421.2899 2469.5914 0.0000 0.0000 51811.0141 -110069.6068 297.7586 -161880.6209 -109706.4213 297.4625 19.7651 45.6565 757984.9410 9.1346 8.9331 PRESSURE: 3770200 -141.654 -166.095 184.094 -166.095 106.133 225.332 184.094 225.332 11.9734 GPRESSURE: 3770200 -87.2756 -90.6404 181.308 -99.5152 150.489 190.342 189.874 128.498 -3.32324 PRESSAVG: 3770200 -40.3659 -37.4719 -33.1745 -37.472 47.568 -24.1088 -33.1746 -24.1088 5.6104 GPRESSAVG: 3770200 -41.2899 -37.6714 -32.0857 -33.3034 49.4894 -21.8912 -34.9121 -26.6807 5.44891 TIMING: 3770200 CPU: 11977.5, 0.00317877/step Wall: 11977.5, 0.00317877/step, 1.0859 hours remaining, 243.062500 MB of memory in use. ENERGY: 3770200 3907.8941 20417.5708 14382.0269 264.3096 -203178.1515 2399.2240 0.0000 0.0000 52008.5877 -109798.5383 298.8941 -161807.1260 -109433.5845 297.8726 -7.8492 19.9633 759876.3678 4.2709 4.5495 PRESSURE: 3770400 289.136 -118.356 -218.735 -118.357 -276.835 49.5181 -218.735 49.5189 -21.3306 GPRESSURE: 3770400 357.547 -171.47 -139.225 -132.546 -220.982 28.2797 -97.5864 88.8532 -48.7987 PRESSAVG: 3770400 34.4565 -47.4508 7.73735 -47.4508 -14.5851 5.62943 7.7373 5.6293 -14.4895 GPRESSAVG: 3770400 34.9545 -47.6135 6.40455 -49.0611 -15.2509 4.99196 11.3972 6.10213 -14.995 TIMING: 3770400 CPU: 11978.2, 0.00314988/step Wall: 11978.2, 0.00314988/step, 1.07586 hours remaining, 243.062500 MB of memory in use. ENERGY: 3770400 3956.9061 20351.9103 14401.7431 255.0749 -202909.9124 2376.9865 0.0000 0.0000 51595.7799 -109971.5117 296.5217 -161567.2916 -109614.7042 298.2649 -3.0099 29.2555 760065.8350 1.7940 1.5695 PRESSURE: 3770600 284.35 38.5348 -226.819 38.5344 226.367 -11.4771 -226.819 -11.4763 277.401 GPRESSURE: 3770600 334.663 -52.5725 -175.427 -45.707 248.967 -52.6533 -208.323 20.325 310.429 PRESSAVG: 3770600 0.502605 -41.9714 6.44072 -41.9715 -37.7746 -16.7537 6.44073 -16.7536 1.85415 GPRESSAVG: 3770600 2.16049 -41.0141 7.29858 -41.4951 -39.4668 -16.5668 6.4173 -15.9142 2.22263 TIMING: 3770600 CPU: 11978.8, 0.00315139/step Wall: 11978.8, 0.00315139/step, 1.0762 hours remaining, 243.062500 MB of memory in use. ENERGY: 3770600 3971.6351 20282.9929 14412.1418 239.9676 -203580.8429 2739.3016 0.0000 0.0000 51867.4129 -110067.3910 298.0827 -161934.8039 -109709.5067 297.7235 262.7058 298.0196 761343.4185 -11.8060 -11.6946 PRESSURE: 3770800 20.2596 107.272 119.088 107.272 -267.641 -278.458 119.088 -278.458 -696.577 GPRESSURE: 3770800 -55.6369 149.404 32.7009 56.6414 -155.009 -317.901 175.177 -158.805 -638.94 PRESSAVG: 3770800 -30.2987 5.59367 -29.1787 5.59375 68.1701 -68.871 -29.1787 -68.8709 -1.04462 GPRESSAVG: 3770800 -32.4702 6.56796 -28.7617 5.71314 70.4631 -69.1001 -30.6261 -68.5101 -0.76149 TIMING: 3770800 CPU: 11979.4, 0.00315991/step Wall: 11979.4, 0.00315991/step, 1.07893 hours remaining, 243.062500 MB of memory in use. ENERGY: 3770800 4081.7342 20312.2329 14507.0560 247.3177 -203668.5908 2605.8425 0.0000 0.0000 51850.6541 -110063.7533 297.9864 -161914.4074 -109707.8681 298.1538 -314.6526 -283.1953 761971.5474 12.2756 12.4105 PRESSURE: 3771000 -35.4209 -142.199 -54.0093 -142.199 -148.135 0.999355 -54.0099 0.998481 -237.099 GPRESSURE: 3771000 -35.3097 -87.5261 -64.0123 -226.175 -98.9018 50.2995 -39.7305 21.938 -222.854 PRESSAVG: 3771000 24.6046 23.9607 46.1829 23.9607 9.38192 -32.9486 46.183 -32.9486 11.2582 GPRESSAVG: 3771000 25.6926 24.2548 45.6088 24.2958 8.43597 -31.5181 45.9086 -33.8175 10.9251 TIMING: 3771000 CPU: 11980, 0.00314227/step Wall: 11980, 0.00314226/step, 1.07273 hours remaining, 243.062500 MB of memory in use. ENERGY: 3771000 3908.0845 20529.6810 14471.5903 219.6892 -203270.1219 2198.3873 0.0000 0.0000 52021.9555 -109920.7340 298.9709 -161942.6895 -109568.2133 298.3337 -140.2182 -119.0219 762064.8029 15.0816 15.0179 PRESSURE: 3771200 212.386 -264.934 -54.9432 -264.934 451.098 170.168 -54.9437 170.169 349.544 GPRESSURE: 3771200 304.49 -244.363 -25.385 -220.21 493.126 174.137 43.7733 61.718 277.905 PRESSAVG: 3771200 -32.4426 9.39412 44.5993 9.39404 12.7165 15.2956 44.5993 15.2956 1.51994 GPRESSAVG: 3771200 -31.0521 8.96443 45.0707 7.1989 11.6434 15.2048 44.7791 16.2179 0.930115 TIMING: 3771200 CPU: 11980.7, 0.00317565/step Wall: 11980.7, 0.00317565/step, 1.08396 hours remaining, 243.062500 MB of memory in use. ENERGY: 3771200 4018.2284 20597.4257 14480.3513 233.1337 -203611.7901 2794.0198 0.0000 0.0000 51805.7295 -109682.9017 297.7282 -161488.6312 -109324.8214 298.3640 337.6762 358.5069 761460.6660 -6.0687 -6.1595 PRESSURE: 3771400 127.484 163.856 267.993 163.856 23.814 -25.3141 267.994 -25.3134 134.153 GPRESSURE: 3771400 237.577 6.56239 202.891 92.2077 20.7373 -12.0727 297.771 14.3417 106.95 PRESSAVG: 3771400 3.59639 -17.5449 9.83096 -17.5448 -26.1149 -18.8259 9.83097 -18.8259 -11.8079 GPRESSAVG: 3771400 2.9785 -19.8549 9.3592 -16.5428 -26.3667 -18.75 11.434 -20.2358 -10.8131 TIMING: 3771400 CPU: 11981.3, 0.0031522/step Wall: 11981.3, 0.0031522/step, 1.07578 hours remaining, 243.062500 MB of memory in use. ENERGY: 3771400 4027.1289 20535.9849 14491.8538 269.8185 -203696.0777 3012.0788 0.0000 0.0000 51960.0248 -109399.1881 298.6150 -161359.2129 -109030.5463 299.1311 95.1502 121.7545 761849.6327 -11.4422 -11.4004 PRESSURE: 3771600 -19.4268 -159.31 341.948 -159.311 -156.323 67.8368 341.946 67.8376 -330.488 GPRESSURE: 3771600 33.0703 -100.128 299.534 -165.678 -135.605 142.588 330.862 72.4351 -311.776 PRESSAVG: 3771600 21.5219 -35.1948 -14.6865 -35.1948 -11.9926 -29.6479 -14.6865 -29.6478 -19.6166 GPRESSAVG: 3771600 21.4842 -33.7161 -13.3015 -34.089 -10.9912 -31.551 -16.5174 -29.25 -21.1502 TIMING: 3771600 CPU: 11981.9, 0.00316864/step Wall: 11981.9, 0.00316864/step, 1.08121 hours remaining, 243.062500 MB of memory in use. ENERGY: 3771600 4006.1261 20644.5634 14417.7488 229.2323 -203215.2325 2617.8316 0.0000 0.0000 52082.5860 -109217.1442 299.3193 -161299.7303 -108854.0347 300.0189 -168.7461 -138.1037 764945.0745 -3.3624 -3.5524 PRESSURE: 3771800 198.697 -94.5734 -8.16308 -94.5731 25.202 -57.5115 -8.16231 -57.5125 -130.949 GPRESSURE: 3771800 192.04 -68.0015 28.653 -88.1673 52.2469 -30.432 -82.3833 -50.8809 -84.2079 PRESSAVG: 3771800 25.2811 -15.2762 0.430252 -15.2762 -42.5433 -6.27486 0.430213 -6.27481 3.69372 GPRESSAVG: 3771800 24.894 -14.4933 0.0691933 -17.1139 -41.9401 -5.38281 -1.40185 -5.79519 4.20403 TIMING: 3771800 CPU: 11982.6, 0.00316535/step Wall: 11982.6, 0.00316535/step, 1.07991 hours remaining, 243.062500 MB of memory in use. ENERGY: 3771800 3931.3312 20452.2492 14455.5437 229.7139 -203217.2582 2589.8414 0.0000 0.0000 52312.9643 -109245.6146 300.6433 -161558.5789 -108874.8782 299.6879 30.9834 53.3596 762651.7792 -4.5228 -4.2807 PRESSURE: 3772000 -59.4611 -127.669 -9.52413 -127.668 -176.565 -7.87321 -9.52455 -7.87295 -95.9362 GPRESSURE: 3772000 -68.0493 -99.7945 12.9019 -113.995 -176.106 -18.4289 -110.751 -38.1342 9.09411 PRESSAVG: 3772000 -26.097 21.027 41.8452 21.027 -19.4301 -7.50792 41.8452 -7.50793 -8.72449 GPRESSAVG: 3772000 -25.848 18.1767 41.245 23.3935 -19.6572 -6.72828 43.1773 -8.27744 -9.01793 TIMING: 3772000 CPU: 11983.2, 0.00315599/step Wall: 11983.2, 0.00315599/step, 1.07654 hours remaining, 243.062500 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: 3772000 3986.1092 20514.2504 14475.8389 233.3593 -203432.2800 2881.6061 0.0000 0.0000 52006.9904 -109334.1257 298.8849 -161341.1161 -108969.8930 299.5812 -110.6542 -78.3538 763377.8319 -18.0839 -18.1744 PRESSURE: 3772200 174.894 -54.7315 10.3814 -54.7311 5.43246 32.2777 10.381 32.2791 65.0042 GPRESSURE: 3772200 235.355 -34.2266 32.8789 12.5839 21.2621 -3.88215 -20.1325 57.8135 66.5003 PRESSAVG: 3772200 64.0948 -32.7226 14.2705 -32.7226 -39.3021 9.72921 14.2704 9.72925 3.19317 GPRESSAVG: 3772200 64.0622 -28.8804 13.285 -34.5483 -39.1561 9.11013 13.6805 9.2448 3.2701 TIMING: 3772200 CPU: 11983.8, 0.00315368/step Wall: 11983.8, 0.00315368/step, 1.07558 hours remaining, 243.062500 MB of memory in use. ENERGY: 3772200 4042.6157 20526.1907 14463.9659 241.0232 -203452.0473 2573.9134 0.0000 0.0000 52282.8171 -109321.5214 300.4701 -161604.3385 -108956.3535 299.8527 81.7768 107.7056 761864.8827 9.3286 9.3921 LDB: ============= START OF LOAD BALANCING ============== 11996.3 LDB: ============== END OF LOAD BALANCING =============== 11996.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11996.3 LDB: ============= START OF LOAD BALANCING ============== 11996.6 LDB: Largest compute 7032 load 0.036642 is 18.8% of average load 0.195304 LDB: Average compute 0.004416 is 2.3% of average load 0.195304 LDB: TIME 11996.6 LOAD: AVG 0.195304 MAX 0.21981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.145 MB LDB: TIME 11996.6 LOAD: AVG 0.195304 MAX 0.21981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 11996.6 LOAD: AVG 0.195304 MAX 0.216588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 11996.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11996.6 PRESSURE: 3772400 -115.823 -34.0192 202.219 -34.0195 -233.577 -169.674 202.219 -169.675 -20.0112 GPRESSURE: 3772400 -21.6737 -88.3932 104.633 -111.405 -205.886 -241.988 164.136 23.3693 -58.1919 PRESSAVG: 3772400 58.1498 -85.4375 27.7566 -85.4376 -79.1075 -8.17152 27.7566 -8.17157 -9.7515 GPRESSAVG: 3772400 58.7147 -86.8463 29.1586 -85.3357 -79.7314 -8.37376 28.4605 -5.9442 -9.38956 TIMING: 3772400 CPU: 11984.5, 0.00321643/step Wall: 11984.5, 0.00321643/step, 1.0968 hours remaining, 241.949219 MB of memory in use. ENERGY: 3772400 3967.5697 20617.4193 14502.0531 259.8579 -203306.7307 2478.0661 0.0000 0.0000 52479.6817 -109002.0829 301.6015 -161481.7647 -108638.3229 299.9432 -123.1370 -95.2505 762212.8290 -10.2364 -10.1354 PRESSURE: 3772600 96.5141 -4.10294 -71.5613 -4.10272 -434.41 9.79374 -71.5607 9.79287 -223.301 GPRESSURE: 3772600 119.05 -153.86 -8.18571 14.6355 -357.104 -56.9707 40.1816 123.916 -241.722 PRESSAVG: 3772600 13.5812 -34.2389 35.6565 -34.239 9.33575 -13.3252 35.6566 -13.3253 -15.6789 GPRESSAVG: 3772600 12.9285 -33.378 37.2035 -33.2739 10.8509 -12.9645 35.337 -11.8372 -16.499 TIMING: 3772600 CPU: 11985.1, 0.00315776/step Wall: 11985.1, 0.00315777/step, 1.07662 hours remaining, 242.148438 MB of memory in use. ENERGY: 3772600 4018.7332 20698.7243 14466.9351 257.8865 -203224.8287 2525.1447 0.0000 0.0000 52132.0730 -109125.3320 299.6037 -161257.4049 -108762.4294 300.5400 -187.0656 -159.9252 762022.2439 2.4127 2.4268 PRESSURE: 3772800 -291.427 -32.0043 156.309 -32.0041 -158.207 79.9721 156.309 79.9719 -254.385 GPRESSURE: 3772800 -210.122 -41.3265 118.38 63.6519 -175.921 137.731 221.72 -4.96523 -225.749 PRESSAVG: 3772800 48.4369 2.26956 17.3509 2.26956 6.94328 -23.9669 17.3509 -23.967 9.10039 GPRESSAVG: 3772800 49.9893 0.606959 14.574 1.13732 5.57615 -23.1491 16.48 -27.2368 8.89583 TIMING: 3772800 CPU: 11985.7, 0.00314908/step Wall: 11985.7, 0.00314908/step, 1.07349 hours remaining, 242.148438 MB of memory in use. ENERGY: 3772800 3996.8414 20611.2172 14519.0010 243.9842 -203373.4165 2338.9819 0.0000 0.0000 51986.4577 -109676.9332 298.7669 -161663.3909 -109308.7199 299.8538 -234.6728 -203.9305 759151.6631 21.4935 21.4871 PRESSURE: 3773000 228.468 -77.2166 184.466 -77.2167 -288.66 -74.405 184.465 -74.4055 -21.8831 GPRESSURE: 3773000 213.973 -93.9143 155.368 -57.6808 -237.616 -55.6031 210.842 -56.1729 39.0191 PRESSAVG: 3773000 -35.2467 -0.119763 37.0718 -0.119845 23.6039 -28.5931 37.0718 -28.5931 13.6694 GPRESSAVG: 3773000 -36.3821 2.62926 39.0434 -1.24268 24.2782 -28.59 38.2354 -28.4606 13.9607 TIMING: 3773000 CPU: 11986.4, 0.00314039/step Wall: 11986.4, 0.00314039/step, 1.07035 hours remaining, 242.148438 MB of memory in use. ENERGY: 3773000 3990.8200 20433.1572 14387.7542 229.8522 -203223.1743 2450.5026 0.0000 0.0000 51827.2104 -109903.8776 297.8517 -161731.0881 -109542.6557 299.1501 -27.3584 5.1251 759703.9655 0.6755 0.6190 PRESSURE: 3773200 -87.2919 56.5318 -91.12 56.5323 -531.532 -48.1319 -91.1202 -48.1331 -84.8297 GPRESSURE: 3773200 -96.5162 145.383 -44.2036 156.308 -409.392 -107.141 -94.4639 -74.25 -109.78 PRESSAVG: 3773200 36.0434 -19.2994 24.3567 -19.2994 -9.58133 0.265271 24.3567 0.265311 11.0983 GPRESSAVG: 3773200 37.281 -23.0304 23.6465 -18.5323 -9.32202 -1.0895 25.3613 1.21823 9.78727 TIMING: 3773200 CPU: 11987, 0.00313775/step Wall: 11987, 0.00313775/step, 1.06927 hours remaining, 242.148438 MB of memory in use. ENERGY: 3773200 4044.8759 20466.9322 14492.4194 236.6655 -203301.5260 2279.3847 0.0000 0.0000 51865.8057 -109915.4427 298.0735 -161781.2484 -109546.0082 298.4455 -234.5512 -205.2296 760105.1487 12.5201 12.5821 PRESSURE: 3773400 278.312 -222.654 289.937 -222.655 -95.1811 212.747 289.937 212.747 -120.366 GPRESSURE: 3773400 370.978 -152.667 178.643 -194.861 -111.829 321.684 341.194 162.758 -115.654 PRESSAVG: 3773400 -8.00192 -24.4891 41.491 -24.4891 28.1425 -26.6468 41.491 -26.6468 9.72179 GPRESSAVG: 3773400 -8.7536 -23.0524 39.9951 -24.0749 27.8198 -26.0499 40.4972 -26.2829 10.7036 TIMING: 3773400 CPU: 11987.6, 0.00314364/step Wall: 11987.6, 0.00314364/step, 1.07111 hours remaining, 242.148438 MB of memory in use. ENERGY: 3773400 3956.4065 20451.8527 14466.0292 255.4343 -203581.8413 2461.5784 0.0000 0.0000 51998.6650 -109991.8752 298.8370 -161990.5403 -109626.5993 297.4904 20.9216 47.8316 759607.5221 9.9541 9.9233 PRESSURE: 3773600 51.5205 197.663 155.968 197.664 -290.81 -34.4675 155.967 -34.4677 95.0303 GPRESSURE: 3773600 -25.1565 136.632 71.115 81.1436 -230.868 60.5343 274.997 -123.806 186.462 PRESSAVG: 3773600 0.0787843 -53.467 62.8326 -53.4669 24.3025 -3.40601 62.8325 -3.40601 18.1642 GPRESSAVG: 3773600 -0.169459 -53.9508 62.4247 -52.305 24.1459 -4.07454 61.8954 -2.05189 18.5344 TIMING: 3773600 CPU: 11988.3, 0.00315379/step Wall: 11988.3, 0.00315379/step, 1.07439 hours remaining, 242.148438 MB of memory in use. ENERGY: 3773600 4017.8341 20726.6477 14488.8140 239.1026 -203884.9943 2691.8343 0.0000 0.0000 51900.0468 -109820.7148 298.2703 -161720.7616 -109471.6517 298.7852 -48.0865 -23.1876 760492.2786 14.1818 14.1703 PRESSURE: 3773800 -333.734 160.857 -96.3669 160.857 -37.6458 -193.06 -96.3673 -193.061 -146.649 GPRESSURE: 3773800 -233.276 95.3603 -165.322 111.78 -103.781 -161.371 50.857 -189.05 -100.258 PRESSAVG: 3773800 -27.4326 32.1443 -16.5986 32.1443 -42.198 -19.5661 -16.5986 -19.5661 -24.7822 GPRESSAVG: 3773800 -27.6439 30.9175 -14.6882 30.6469 -43.0788 -18.2675 -16.6821 -19.3748 -23.5871 TIMING: 3773800 CPU: 11988.9, 0.00317344/step Wall: 11988.9, 0.00317344/step, 1.08091 hours remaining, 242.148438 MB of memory in use. ENERGY: 3773800 4031.2527 20472.1941 14513.3696 235.5061 -203444.9271 2383.1114 0.0000 0.0000 51945.5776 -109863.9157 298.5319 -161809.4933 -109494.6293 298.6818 -172.6761 -145.7714 760457.5147 -31.4710 -31.4366 PRESSURE: 3774000 -402.76 2.07152 -61.4774 2.07193 -411.491 195.058 -61.4774 195.057 233.901 GPRESSURE: 3774000 -320.153 59.4831 -29.182 135.486 -314.765 288.836 -61.8278 -18.2911 156.531 PRESSAVG: 3774000 8.24305 -6.40743 -23.5156 -6.40752 26.3255 -51.7822 -23.5156 -51.7821 29.0019 GPRESSAVG: 3774000 9.28766 -5.70851 -23.9722 -5.43784 25.9145 -53.5024 -24.1257 -54.1425 29.1012 TIMING: 3774000 CPU: 11989.5, 0.00315156/step Wall: 11989.5, 0.00315156/step, 1.07328 hours remaining, 242.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 3999.9816 20470.8574 14453.8098 245.6125 -203341.7028 2431.0858 0.0000 0.0000 51963.2685 -109777.0873 298.6336 -161740.3558 -109413.6711 299.3188 -193.4502 -159.4622 761477.3355 21.1901 21.4345 PRESSURE: 3774200 121.12 23.4467 207.153 23.4474 -4.4538 -47.556 207.153 -47.5563 -100.356 GPRESSURE: 3774200 164.936 8.92488 229.892 -5.78877 37.6933 -110.032 21.014 -44.1218 -91.1269 PRESSAVG: 3774200 7.11656 16.7208 44.8275 16.7208 -4.46786 -5.13194 44.8275 -5.13195 -6.89936 GPRESSAVG: 3774200 5.8957 17.624 43.5102 14.7885 -3.08039 -4.33313 45.5553 -4.54088 -6.95049 TIMING: 3774200 CPU: 11990.2, 0.00315241/step Wall: 11990.2, 0.00315241/step, 1.07339 hours remaining, 242.406250 MB of memory in use. ENERGY: 3774200 3999.4470 20542.3103 14497.1919 267.0790 -203126.7724 2301.3413 0.0000 0.0000 51799.5109 -109719.8920 297.6925 -161519.4030 -109365.2380 298.8576 5.4367 37.1676 760809.6039 -1.4169 -1.3784 PRESSURE: 3774400 101.682 -130.299 -29.9851 -130.299 336.567 -36.2745 -29.9842 -36.275 488.573 GPRESSURE: 3774400 85.255 -37.949 53.6218 -109.454 387.28 39.0242 -30.9102 -84.0439 521.678 PRESSAVG: 3774400 11.4313 13.6498 79.518 13.6497 -38.4852 -6.41597 79.518 -6.41601 -10.3387 GPRESSAVG: 3774400 12.1898 14.2788 78.5405 16.245 -38.4038 -6.62818 80.8387 -8.18767 -11.238 TIMING: 3774400 CPU: 11990.8, 0.00316605/step Wall: 11990.8, 0.00316605/step, 1.07786 hours remaining, 242.406250 MB of memory in use. ENERGY: 3774400 3952.2205 20428.2054 14466.5724 229.3664 -203301.9016 2643.6575 0.0000 0.0000 51947.6018 -109634.2776 298.5436 -161581.8794 -109264.9079 298.6866 308.9405 331.4042 760514.8562 -12.4642 -12.4840 PRESSURE: 3774600 271.881 8.68378 -187.049 8.68322 -60.0562 -30.7342 -187.049 -30.7338 238.018 GPRESSURE: 3774600 307.84 -19.9774 -91.9994 25.7441 -81.2477 -21.2342 -193.073 28.6672 319.931 PRESSAVG: 3774600 16.621 21.1548 0.982842 21.1549 -7.10928 -3.9031 0.982785 -3.90313 -1.87121 GPRESSAVG: 3774600 17.4879 17.2906 0.945962 20.6272 -8.1633 -4.54672 1.05729 -3.54174 -1.34074 TIMING: 3774600 CPU: 11991.4, 0.00315746/step Wall: 11991.4, 0.00315746/step, 1.07476 hours remaining, 242.406250 MB of memory in use. ENERGY: 3774600 3997.4350 20367.2580 14461.0504 238.9544 -204011.8074 3111.4198 0.0000 0.0000 51909.3572 -109926.3326 298.3238 -161835.6898 -109570.0091 298.7380 149.9476 182.1742 761200.0739 2.5468 2.6613 PRESSURE: 3774800 -22.2694 32.9567 -27.268 32.9564 327.83 -210.546 -27.2685 -210.546 306.726 GPRESSURE: 3774800 11.4388 -56.4574 -34.7274 -15.3922 375.696 -134.581 112.133 -229.242 307.066 PRESSAVG: 3774800 -11.7855 -24.3613 17.0063 -24.3613 -10.3572 -33.5432 17.0064 -33.5432 -11.1656 GPRESSAVG: 3774800 -12.5166 -22.0144 17.9695 -26.5344 -8.78667 -32.8311 18.1514 -31.1641 -11.485 TIMING: 3774800 CPU: 11992, 0.00314121/step Wall: 11992, 0.00314121/step, 1.06906 hours remaining, 242.406250 MB of memory in use. ENERGY: 3774800 4025.1003 20489.5895 14458.7079 227.5203 -203569.7492 2534.3373 0.0000 0.0000 51845.6196 -109988.8743 297.9575 -161834.4939 -109620.4366 298.0677 204.0956 231.4004 759884.8172 -11.1027 -10.9294 PRESSURE: 3775000 316.757 -181.326 34.2301 -181.327 89.8314 84.3231 34.229 84.3241 -50.7315 GPRESSURE: 3775000 242.233 -94.8687 -18.9174 -234.182 190.029 31.9527 121.039 -6.90734 -19.8171 PRESSAVG: 3775000 -98.4813 -24.3567 5.88495 -24.3567 20.5032 -25.4251 5.88499 -25.4251 19.7753 GPRESSAVG: 3775000 -97.9848 -24.1754 7.46689 -23.1785 20.028 -26.0213 5.78571 -26.8801 19.1741 TIMING: 3775000 CPU: 11992.7, 0.00312082/step Wall: 11992.7, 0.00312082/step, 1.06195 hours remaining, 242.406250 MB of memory in use. ENERGY: 3775000 4025.6768 20576.7181 14455.8830 256.3087 -203731.5527 2701.3145 0.0000 0.0000 51873.3011 -109842.3505 298.1166 -161715.6516 -109487.1316 298.6593 118.6191 137.4817 760198.6223 -19.4009 -19.5942 PRESSURE: 3775200 9.19164 -15.0452 -93.1569 -15.0448 -15.9691 -157.257 -93.1568 -157.257 134.365 GPRESSURE: 3775200 78.9492 58.7998 -61.7336 -173.625 0.643659 -122.519 -182.597 -85.0699 157.284 PRESSAVG: 3775200 42.4581 3.3749 -7.93289 3.37486 -4.94582 23.1373 -7.93289 23.1373 3.01554 GPRESSAVG: 3775200 43.262 3.23233 -8.48768 5.07991 -4.9932 21.9397 -8.9036 22.8516 2.98205 TIMING: 3775200 CPU: 11993.3, 0.00315813/step Wall: 11993.3, 0.00315813/step, 1.07447 hours remaining, 242.406250 MB of memory in use. ENERGY: 3775200 4023.8948 20327.4631 14497.9057 250.2026 -203426.5230 2576.5787 0.0000 0.0000 52118.4104 -109632.0677 299.5252 -161750.4780 -109252.2165 298.8434 42.5292 78.9589 760850.8654 13.5093 13.7503 PRESSURE: 3775400 74.1889 -135.555 -65.357 -135.556 326.003 97.7126 -65.3576 97.7109 632.449 GPRESSURE: 3775400 110.993 68.8544 -25.1485 -166.563 383.262 140.7 -90.8233 29.6017 620.217 PRESSAVG: 3775400 -25.1287 -21.2659 3.54211 -21.2659 0.834587 36.2472 3.54206 36.2472 -2.29003 GPRESSAVG: 3775400 -24.5532 -21.1458 2.42859 -22.3891 0.326448 39.486 5.42534 37.122 -2.22333 TIMING: 3775400 CPU: 11993.9, 0.00314083/step Wall: 11993.9, 0.00314083/step, 1.0684 hours remaining, 242.406250 MB of memory in use. ENERGY: 3775400 3993.6405 20344.2986 14483.2861 260.2955 -203953.0195 2938.8353 0.0000 0.0000 52098.5818 -109834.0818 299.4113 -161932.6636 -109467.9783 298.8682 344.2134 371.4905 759990.9793 -8.8614 -8.8167 PRESSURE: 3775600 37.7977 7.27497 -93.0631 7.27577 5.19366 219.875 -93.0633 219.876 35.8634 GPRESSURE: 3775600 75.6561 -24.337 -126.265 31.6075 26.7321 262.699 -159.09 163.018 77.3672 PRESSAVG: 3775600 -24.6815 16.2499 21.5984 16.2499 -7.5593 28.5769 21.5984 28.5769 7.61638 GPRESSAVG: 3775600 -26.6791 16.1146 22.411 15.3413 -7.13553 26.3951 19.6284 26.8074 8.8758 TIMING: 3775600 CPU: 11994.6, 0.00315025/step Wall: 11994.6, 0.00315026/step, 1.07144 hours remaining, 242.406250 MB of memory in use. ENERGY: 3775600 4009.2738 20296.6206 14475.6457 265.5855 -203933.2133 2899.7374 0.0000 0.0000 52006.8680 -109979.4823 298.8842 -161986.3503 -109619.1643 298.8400 26.2849 59.9185 760540.2532 -8.2081 -8.3129 PRESSURE: 3775800 -231.245 -28.5366 -43.0914 -28.5366 -277.853 -131.624 -43.0921 -131.623 -129.752 GPRESSURE: 3775800 -235.972 94.0903 -6.15013 62.3862 -152.573 -208.268 74.8419 -165.926 -152.624 PRESSAVG: 3775800 33.6474 6.56589 -66.0547 6.56589 -47.7636 19.9772 -66.0547 19.9772 -6.42305 GPRESSAVG: 3775800 33.6126 5.69046 -65.6819 8.41189 -46.2381 19.7165 -63.595 20.8815 -8.15377 TIMING: 3775800 CPU: 11995.2, 0.00314979/step Wall: 11995.2, 0.00314979/step, 1.0711 hours remaining, 242.406250 MB of memory in use. ENERGY: 3775800 3997.3619 20351.6649 14458.3362 244.6803 -203209.1739 2407.6970 0.0000 0.0000 51978.9378 -109770.4959 298.7237 -161749.4336 -109405.2797 298.9119 -212.9501 -180.3896 760232.5862 -6.8464 -6.9264 PRESSURE: 3776000 153.997 -84.4282 167.331 -84.4287 -129.299 -36.476 167.331 -36.4768 -141.652 GPRESSURE: 3776000 242.9 -69.2514 129.596 -180.519 -136.705 -96.2042 274.306 45.3803 -136.951 PRESSAVG: 3776000 11.7405 -6.08004 31.1691 -6.07998 -40.892 -15.0802 31.1692 -15.0802 11.8615 GPRESSAVG: 3776000 12.9803 -4.06611 30.2262 -8.1374 -43.245 -14.7688 30.7889 -14.3694 12.7004 TIMING: 3776000 CPU: 11995.8, 0.00313533/step Wall: 11995.8, 0.00313533/step, 1.06601 hours remaining, 242.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 3940.4638 20458.1590 14388.4977 259.3687 -203071.7321 2421.9945 0.0000 0.0000 52076.8379 -109526.4105 299.2863 -161603.2484 -109156.7596 299.0333 -38.9846 -10.2521 762662.4951 -5.7633 -5.8548 PRESSURE: 3776200 -122.21 265.509 41.722 265.509 0.861649 -118.388 41.7221 -118.388 207.648 GPRESSURE: 3776200 -145.756 227.796 83.9955 252.672 7.45939 -63.5684 124.48 81.1706 300.108 PRESSAVG: 3776200 120.734 -35.2441 -6.79667 -35.2441 -86.7126 16.0473 -6.79668 16.0473 -17.648 GPRESSAVG: 3776200 120.028 -38.1635 -7.551 -34.5692 -85.2138 17.1128 -8.12025 16.6313 -18.6883 TIMING: 3776200 CPU: 11996.4, 0.00315099/step Wall: 11996.4, 0.00315099/step, 1.07116 hours remaining, 242.406250 MB of memory in use. ENERGY: 3776200 3995.4570 20392.4351 14404.1802 244.8090 -203544.4042 2699.3879 0.0000 0.0000 52365.1976 -109442.9374 300.9435 -161808.1350 -109079.2522 299.6020 28.7665 53.9373 760636.7816 5.4578 5.3752 LDB: ============= START OF LOAD BALANCING ============== 12008.9 LDB: ============== END OF LOAD BALANCING =============== 12008.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12008.9 LDB: ============= START OF LOAD BALANCING ============== 12009.2 LDB: Largest compute 7048 load 0.034002 is 17.4% of average load 0.195326 LDB: Average compute 0.004391 is 2.2% of average load 0.195326 LDB: TIME 12009.2 LOAD: AVG 0.195326 MAX 0.217721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 12009.2 LOAD: AVG 0.195326 MAX 0.217721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 12009.2 LOAD: AVG 0.195326 MAX 0.217721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 12009.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12009.2 PRESSURE: 3776400 -184.979 155.71 -174.932 155.711 -125.239 80.0215 -174.931 80.0208 -105.358 GPRESSURE: 3776400 -195.463 147.646 -104.164 186.271 -15.2197 20.7731 -157.864 132.046 -127.165 PRESSAVG: 3776400 5.49992 7.53619 28.2825 7.5362 -57.2417 43.7692 28.2825 43.7692 -5.41156 GPRESSAVG: 3776400 4.11976 9.59531 28.2275 8.85557 -56.7397 43.9882 29.5312 44.6296 -4.39322 TIMING: 3776400 CPU: 11997.1, 0.00322346/step Wall: 11997.1, 0.00322346/step, 1.09562 hours remaining, 241.832031 MB of memory in use. ENERGY: 3776400 3970.1539 20581.1017 14430.3722 234.7887 -203297.2985 2554.4337 0.0000 0.0000 52130.1961 -109396.2523 299.5930 -161526.4484 -109032.6503 299.5453 -138.5254 -112.6159 759675.8293 -19.0511 -19.0044 PRESSURE: 3776600 269.884 117.705 52.7861 117.705 70.213 -132.284 52.7864 -132.284 317.196 GPRESSURE: 3776600 356.22 224.57 -64.7491 91.75 106.468 -194.278 85.0736 -201.189 267.739 PRESSAVG: 3776600 88.548 -6.95482 23.5123 -6.95475 -84.7505 -7.9795 23.5123 -7.97947 4.10224 GPRESSAVG: 3776600 89.7009 -5.66239 24.2687 -10.0539 -85.3514 -7.33961 22.3007 -9.30137 3.17936 TIMING: 3776600 CPU: 11997.7, 0.0031386/step Wall: 11997.7, 0.0031386/step, 1.0666 hours remaining, 241.832031 MB of memory in use. ENERGY: 3776600 3975.8854 20534.8955 14486.6513 261.6904 -203727.5959 2886.0911 0.0000 0.0000 52190.2424 -109392.1399 299.9380 -161582.3824 -109036.4515 299.1779 219.0975 243.4755 761319.6782 2.6332 2.5096 PRESSURE: 3776800 14.1468 -17.7706 51.7836 -17.7705 92.7471 79.6511 51.7843 79.65 32.3454 GPRESSURE: 3776800 -22.9882 -134.589 57.8435 17.6027 63.2022 115.68 17.8732 88.8625 178.415 PRESSAVG: 3776800 45.9724 -17.4478 -20.028 -17.4479 -43.4375 -7.17332 -20.028 -7.17335 6.8985 GPRESSAVG: 3776800 45.3899 -19.2993 -19.884 -17.3724 -43.733 -8.67603 -19.4713 -6.01462 8.21532 TIMING: 3776800 CPU: 11998.3, 0.00313234/step Wall: 11998.3, 0.00313234/step, 1.0643 hours remaining, 241.832031 MB of memory in use. ENERGY: 3776800 4058.7408 20455.2366 14475.4178 265.8383 -203306.3294 2574.6533 0.0000 0.0000 52045.0650 -109431.3776 299.1037 -161476.4427 -109081.8717 299.6634 46.4131 72.8765 760791.9120 3.1445 3.2908 PRESSURE: 3777000 -121.046 -131.748 -60.6477 -131.747 -55.1738 26.6505 -60.6476 26.6509 -159.224 GPRESSURE: 3777000 -4.86862 -98.9373 -70.6883 -85.2187 -77.1537 7.30125 -74.8201 43.3572 -163.012 PRESSAVG: 3777000 -9.00453 6.42536 -25.7307 6.42534 36.3602 6.59646 -25.7307 6.5964 -6.90776 GPRESSAVG: 3777000 -9.16783 8.38801 -23.9781 7.14413 36.3663 7.69023 -25.8231 7.18769 -6.71211 TIMING: 3777000 CPU: 11999, 0.003147/step Wall: 11999, 0.003147/step, 1.06911 hours remaining, 241.832031 MB of memory in use. ENERGY: 3777000 3977.5111 20604.3886 14507.9788 253.1122 -203019.1426 2401.8519 0.0000 0.0000 51780.5254 -109493.7747 297.5834 -161274.3000 -109135.4399 299.5052 -111.8145 -81.6780 761813.6895 6.8160 6.8288 PRESSURE: 3777200 118.245 -93.4213 -27.4216 -93.4212 -93.8131 -102.795 -27.4211 -102.796 -9.23039 GPRESSURE: 3777200 166.046 21.5901 62.6897 -160.22 -67.7985 -178.703 7.27147 -141.438 16.4671 PRESSAVG: 3777200 16.3152 9.17184 7.0905 9.17185 -44.9205 -52.2008 7.0904 -52.2008 13.4221 GPRESSAVG: 3777200 16.9094 8.06503 5.73444 9.93364 -45.047 -53.3467 7.13957 -53.0496 12.4006 TIMING: 3777200 CPU: 11999.6, 0.00315776/step Wall: 11999.6, 0.00315776/step, 1.07259 hours remaining, 241.832031 MB of memory in use. ENERGY: 3777200 3908.8535 20466.1051 14460.9048 251.7064 -203046.4821 2497.9904 0.0000 0.0000 51794.1631 -109666.7588 297.6618 -161460.9219 -109298.7566 299.1108 5.0672 38.2381 761510.7870 -5.0611 -5.2457 PRESSURE: 3777400 88.3354 -165.74 124.504 -165.741 -289.545 424.394 124.505 424.394 -125.819 GPRESSURE: 3777400 56.7984 -129.354 150.564 -240.774 -199.493 446.882 178.132 363.43 -94.8437 PRESSAVG: 3777400 20.4589 -30.34 13.3122 -30.3399 -55.2566 21.7281 13.3123 21.7281 8.60696 GPRESSAVG: 3777400 20.1295 -31.2147 15.123 -28.6346 -54.6689 22.9719 13.7461 18.4476 8.9323 TIMING: 3777400 CPU: 12000.2, 0.00313376/step Wall: 12000.2, 0.00313376/step, 1.06426 hours remaining, 241.832031 MB of memory in use. ENERGY: 3777400 3949.1810 20376.7957 14437.2681 257.5400 -202833.8653 2182.4182 0.0000 0.0000 52164.6042 -109466.0579 299.7907 -161630.6622 -109112.4500 298.8523 -109.0094 -79.1794 759427.9109 -8.7303 -8.5357 PRESSURE: 3777600 152.262 221.47 -115.058 221.469 -209.117 -147.709 -115.058 -147.708 -156.747 GPRESSURE: 3777600 161.327 294.362 -190.719 245.983 -55.6253 -203.073 43.5094 -118.624 -243.266 PRESSAVG: 3777600 26.6014 -0.289835 1.38258 -0.289826 -28.441 46.4002 1.38258 46.4002 6.50228 GPRESSAVG: 3777600 26.6491 0.683086 0.881924 -2.13609 -28.0703 45.4167 -1.04161 47.9944 5.11784 TIMING: 3777600 CPU: 12000.9, 0.00315184/step Wall: 12000.9, 0.00315184/step, 1.07023 hours remaining, 241.832031 MB of memory in use. ENERGY: 3777600 3953.7457 20428.6662 14469.0345 248.7699 -203752.0239 2849.1239 0.0000 0.0000 52032.6027 -109770.0809 299.0321 -161802.6836 -109409.3840 299.1258 -71.2006 -45.8551 760902.5820 1.5542 1.2322 PRESSURE: 3777800 -34.9999 45.5856 92.2043 45.5861 -149.519 -83.6851 92.2044 -83.6851 85.9401 GPRESSURE: 3777800 -31.299 37.7271 172.999 -71.1787 -197.692 -207.457 219.604 -109.938 225.318 PRESSAVG: 3777800 35.9497 10.9821 33.8436 10.9821 -96.9129 -13.0898 33.8436 -13.0898 -5.12371 GPRESSAVG: 3777800 35.6717 12.0248 33.569 11.0935 -98.1642 -12.0354 37.3846 -13.4351 -3.41551 TIMING: 3777800 CPU: 12001.5, 0.00313752/step Wall: 12001.5, 0.00313752/step, 1.06519 hours remaining, 241.832031 MB of memory in use. ENERGY: 3777800 3898.4040 20381.1698 14434.6506 265.6569 -203541.3936 2467.6355 0.0000 0.0000 52051.3378 -110042.5390 299.1398 -162093.8768 -109676.4974 298.4607 -32.8596 -1.2241 760514.5768 -22.0290 -21.9693 PRESSURE: 3778000 61.5638 56.5885 124.971 56.5879 91.8347 -2.34781 124.971 -2.34699 266.631 GPRESSURE: 3778000 108.996 15.6736 127.796 114.47 183.899 33.3003 140.221 5.04866 215.793 PRESSAVG: 3778000 62.5611 -9.73257 29.9505 -9.73252 -62.4271 -8.41154 29.9505 -8.41151 9.77419 GPRESSAVG: 3778000 63.9514 -10.7168 29.1703 -9.02883 -63.1296 -9.87873 28.7409 -7.09159 9.58876 TIMING: 3778000 CPU: 12002.1, 0.00314214/step Wall: 12002.1, 0.00314214/step, 1.06658 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3778000 4026.8110 20297.7465 14457.9562 242.6792 -203918.4909 2832.6773 0.0000 0.0000 51906.3279 -110154.2927 298.3064 -162060.6206 -109785.6005 298.0514 140.0097 169.5627 760251.5865 3.3027 3.4702 PRESSURE: 3778200 86.407 142.232 -249.542 142.231 -264.079 116.459 -249.543 116.46 -291.779 GPRESSURE: 3778200 153.391 107.73 -275.923 130.187 -221.337 181.372 -311.511 -43.3368 -299.302 PRESSAVG: 3778200 -30.3473 -11.7055 -32.2885 -11.7055 9.90545 -15.0579 -32.2886 -15.0579 -10.6208 GPRESSAVG: 3778200 -31.7601 -11.393 -32.3812 -12.3821 10.3827 -14.3788 -34.0558 -16.223 -9.62468 TIMING: 3778200 CPU: 12002.8, 0.0031539/step Wall: 12002.8, 0.0031539/step, 1.0704 hours remaining, 241.832031 MB of memory in use. ENERGY: 3778200 4001.8463 20444.8946 14429.3950 231.0627 -203520.4120 2736.4242 0.0000 0.0000 51758.4970 -109918.2922 297.4568 -161676.7891 -109554.1496 298.4684 -156.4838 -122.4160 761346.4615 -10.3542 -10.3340 PRESSURE: 3778400 -125.551 -47.2115 21.7151 -47.2114 -428.322 -186.886 21.7154 -186.887 55.5083 GPRESSURE: 3778400 -102.166 25.4801 36.8311 -147.328 -376.578 -145.114 -103.595 -65.1006 74.2873 PRESSAVG: 3778400 22.7843 5.36047 -34.0206 5.36047 -11.3927 -2.09064 -34.0206 -2.09071 15.9723 GPRESSAVG: 3778400 23.7549 5.17965 -32.8698 3.87018 -11.6257 -2.55395 -34.4243 -0.861202 15.5204 TIMING: 3778400 CPU: 12003.4, 0.00315409/step Wall: 12003.4, 0.00315409/step, 1.07029 hours remaining, 241.832031 MB of memory in use. ENERGY: 3778400 3959.3329 20397.8266 14418.6230 245.7926 -203329.1045 2565.4614 0.0000 0.0000 51836.7888 -109905.2791 297.9067 -161742.0679 -109533.8055 298.8449 -166.1216 -134.8190 761838.3111 9.1213 9.2165 PRESSURE: 3778600 -22.4806 -94.6687 -195.48 -94.6694 16.8194 -20.6278 -195.48 -20.6274 122.041 GPRESSURE: 3778600 54.4119 24.3274 -172.864 -24.2186 70.5041 20.875 -227.759 -132.422 74.4382 PRESSAVG: 3778600 -37.0631 31.9882 -66.6801 31.9882 -15.1093 23.072 -66.6801 23.072 -1.10427 GPRESSAVG: 3778600 -36.4443 32.1625 -66.9642 31.1724 -14.9178 23.8763 -64.132 22.7125 -2.52348 TIMING: 3778600 CPU: 12004, 0.00312566/step Wall: 12004, 0.00312566/step, 1.06047 hours remaining, 241.832031 MB of memory in use. ENERGY: 3778600 3914.3516 20602.4083 14388.1399 246.4169 -203667.3560 2890.4582 0.0000 0.0000 51829.1812 -109796.3999 297.8630 -161625.5810 -109432.3571 298.8091 38.7934 66.4514 760436.5726 -17.7589 -17.9619 PRESSURE: 3778800 223.577 181.91 139.905 181.91 -155.262 51.7213 139.907 51.7213 88.8337 GPRESSURE: 3778800 166.636 128.881 194.907 112.604 -56.1223 50.1546 11.7155 72.1684 136.266 PRESSAVG: 3778800 28.4124 -5.86812 -21.5133 -5.8682 -18.4742 -36.1089 -21.5133 -36.109 2.65551 GPRESSAVG: 3778800 26.8243 -6.11638 -21.5843 -3.61333 -16.4714 -36.3813 -22.7503 -36.8771 3.29177 TIMING: 3778800 CPU: 12004.6, 0.0031523/step Wall: 12004.6, 0.0031523/step, 1.06933 hours remaining, 241.832031 MB of memory in use. ENERGY: 3778800 3970.4099 20568.6628 14440.1995 248.8391 -203905.3431 2688.3000 0.0000 0.0000 52106.9755 -109881.9562 299.4595 -161988.9317 -109527.8548 298.3128 52.3829 82.2596 757792.8675 4.1979 4.5482 PRESSURE: 3779000 -153.39 21.7481 156.252 21.7487 134.266 48.3468 156.253 48.3463 -112.979 GPRESSURE: 3779000 -46.0037 25.5081 136.121 -17.0968 85.4224 9.74108 171.086 -70.6365 -91.1617 PRESSAVG: 3779000 -5.52393 35.2931 31.999 35.2932 5.23692 6.37533 31.999 6.37528 18.4815 GPRESSAVG: 3779000 -3.96781 36.8441 33.9719 35.4484 4.25523 6.47635 31.3177 6.27308 17.5318 TIMING: 3779000 CPU: 12005.3, 0.00314441/step Wall: 12005.3, 0.00314441/step, 1.06648 hours remaining, 241.832031 MB of memory in use. ENERGY: 3779000 3934.4549 20337.6571 14481.9891 254.9980 -203348.1560 2605.5308 0.0000 0.0000 51821.1040 -109912.4221 297.8166 -161733.5261 -109541.2545 298.5537 -44.0346 -17.2477 762030.7457 6.0648 5.9398 PRESSURE: 3779200 -52.8923 -64.2838 -135.867 -64.2831 320.869 -198.308 -135.867 -198.309 -130.424 GPRESSURE: 3779200 -53.7285 -15.1227 -132.149 40.5615 335.57 -193.141 -108.697 -225.057 -66.8683 PRESSAVG: 3779200 9.65233 -13.0517 -16.76 -13.0518 -43.7607 -55.9801 -16.7599 -55.9802 -37.2259 GPRESSAVG: 3779200 8.77225 -16.4561 -19.2868 -11.2782 -43.5764 -54.3176 -15.3319 -56.6969 -36.2121 TIMING: 3779200 CPU: 12005.9, 0.00312362/step Wall: 12005.9, 0.00312362/step, 1.05926 hours remaining, 241.832031 MB of memory in use. ENERGY: 3779200 3982.8640 20421.4504 14511.0339 248.6819 -203721.5644 2924.3852 0.0000 0.0000 51781.2896 -109851.8594 297.5878 -161633.1490 -109492.0756 298.5291 45.8506 71.6577 762153.0668 -23.7781 -23.6721 PRESSURE: 3779400 -162.88 14.9552 -107.853 14.9547 -359.157 -20.6608 -107.853 -20.661 -452.199 GPRESSURE: 3779400 -139.553 -21.1572 -68.9588 6.49284 -298.015 47.2526 -71.3475 28.4251 -467.215 PRESSAVG: 3779400 4.36753 42.8358 -31.8645 42.8357 57.612 -2.78238 -31.8645 -2.7824 -3.12388 GPRESSAVG: 3779400 4.8046 43.6432 -31.3745 43.6921 57.3954 -3.74302 -34.0852 -0.964088 -3.12247 TIMING: 3779400 CPU: 12006.5, 0.00312199/step Wall: 12006.5, 0.00312199/step, 1.05853 hours remaining, 241.832031 MB of memory in use. ENERGY: 3779400 3985.1827 20647.1420 14437.5583 244.6259 -203328.4134 2289.8434 0.0000 0.0000 51900.5361 -109823.5249 298.2731 -161724.0610 -109459.3596 298.6735 -324.7454 -301.5946 760175.9044 19.6185 19.6925 PRESSURE: 3779600 52.4028 431.087 204.911 431.086 -70.1751 340.332 204.911 340.331 -102.885 GPRESSURE: 3779600 -32.5907 318.669 263.84 426.683 -8.71235 368.761 -7.71872 135.06 20.0601 PRESSAVG: 3779600 18.8838 18.5314 -18.5986 18.5314 10.3982 45.8684 -18.5986 45.8684 15.1968 GPRESSAVG: 3779600 18.3959 20.1207 -19.1 15.8229 10.4682 44.4542 -17.1972 44.8219 15.5755 TIMING: 3779600 CPU: 12007.1, 0.00312186/step Wall: 12007.1, 0.00312187/step, 1.05831 hours remaining, 241.832031 MB of memory in use. ENERGY: 3779600 4054.7382 20678.0509 14439.2321 234.8854 -203565.5002 2457.3823 0.0000 0.0000 52112.7577 -109588.4537 299.4927 -161701.2113 -109243.7239 299.4969 -40.2191 -7.0810 759792.3872 14.8262 14.8132 PRESSURE: 3779800 -26.2164 -151.825 60.411 -151.826 54.8549 -49.5244 60.4114 -49.5254 363.169 GPRESSURE: 3779800 -53.9337 -166.917 85.9186 -68.9845 93.4206 -114.322 -30.9409 54.8467 431.899 PRESSAVG: 3779800 -39.9481 16.935 -63.2268 16.935 44.157 68.3276 -63.2268 68.3276 -24.7437 GPRESSAVG: 3779800 -41.3525 16.255 -63.8634 17.672 44.5708 68.049 -65.7868 67.9098 -24.544 TIMING: 3779800 CPU: 12007.8, 0.00312697/step Wall: 12007.8, 0.00312697/step, 1.05987 hours remaining, 241.832031 MB of memory in use. ENERGY: 3779800 3964.7111 20597.9440 14438.1078 221.2559 -203405.6904 2634.4989 0.0000 0.0000 52117.4294 -109431.7434 299.5196 -161549.1728 -109068.9662 299.3619 130.6027 157.1285 760422.9397 -6.8449 -7.1085 PRESSURE: 3780000 511.074 -1.35278 -56.2845 -1.35317 54.9005 -115.095 -56.2845 -115.095 137.017 GPRESSURE: 3780000 490.023 -5.82243 -6.14149 -83.0919 124.234 -125.684 -45.9713 -56.1468 162.402 PRESSAVG: 3780000 -22.1558 -30.8211 -17.1513 -30.8212 35.4837 -8.21151 -17.1512 -8.21151 28.304 GPRESSAVG: 3780000 -21.1212 -29.857 -17.5821 -31.9544 34.4327 -8.45082 -16.5621 -6.19406 28.295 TIMING: 3780000 CPU: 12008.4, 0.00313137/step Wall: 12008.4, 0.00313137/step, 1.06119 hours remaining, 241.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3780000 3947.2436 20433.0785 14488.3928 250.3315 -203558.1235 2743.3049 0.0000 0.0000 52134.3058 -109561.4664 299.6166 -161695.7722 -109196.3377 299.7891 234.3303 258.8866 760596.4446 13.8773 13.8688 PRESSURE: 3780200 104.932 -45.4451 49.5748 -45.4448 -10.8777 256.495 49.5746 256.496 33.2269 GPRESSURE: 3780200 126.793 -74.0314 19.818 -146.032 86.5036 218.151 -100.678 221.195 6.02897 PRESSAVG: 3780200 36.7897 -33.4516 -16.3592 -33.4516 1.71851 22.5554 -16.3591 22.5554 -20.0913 GPRESSAVG: 3780200 38.2192 -34.4407 -12.3981 -33.2323 1.21764 24.2553 -18.2948 22.5677 -21.1403 TIMING: 3780200 CPU: 12009, 0.00312509/step Wall: 12009, 0.00312509/step, 1.05888 hours remaining, 241.832031 MB of memory in use. ENERGY: 3780200 3970.1895 20551.8936 14525.8217 236.1030 -203310.4379 2483.5274 0.0000 0.0000 51948.6353 -109594.2673 298.5495 -161542.9027 -109228.6248 299.0648 42.4271 73.1085 760923.8258 6.1390 6.0989 LDB: ============= START OF LOAD BALANCING ============== 12021.5 LDB: ============== END OF LOAD BALANCING =============== 12021.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12021.5 LDB: ============= START OF LOAD BALANCING ============== 12021.8 LDB: Largest compute 7072 load 0.034753 is 17.8% of average load 0.195301 LDB: Average compute 0.004389 is 2.2% of average load 0.195301 LDB: TIME 12021.8 LOAD: AVG 0.195301 MAX 0.21759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.352 MB LDB: TIME 12021.8 LOAD: AVG 0.195301 MAX 0.21759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.352 MB LDB: TIME 12021.8 LOAD: AVG 0.195301 MAX 0.21759 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.352 MB LDB: ============== END OF LOAD BALANCING =============== 12021.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12021.8 PRESSURE: 3780400 100.664 100.21 6.20486 100.211 -380.041 279.398 6.20546 279.397 -271.317 GPRESSURE: 3780400 112.007 89.8696 13.0801 119.428 -341.214 322.064 139.909 77.6692 -229.75 PRESSAVG: 3780400 52.5415 12.2165 24.3906 12.2165 6.34833 -9.70961 24.3906 -9.70963 23.7508 GPRESSAVG: 3780400 50.8578 11.8836 22.7469 13.7905 6.83905 -10.5947 26.5927 -12.7326 24.6158 TIMING: 3780400 CPU: 12009.7, 0.00321617/step Wall: 12009.7, 0.00321617/step, 1.08957 hours remaining, 239.835938 MB of memory in use. ENERGY: 3780400 4000.7010 20674.8288 14485.8401 229.6611 -203402.3035 2354.4131 0.0000 0.0000 51804.4775 -109852.3817 297.7210 -161656.8592 -109500.0636 299.0766 -183.5643 -152.9856 760977.9989 27.5469 27.4375 PRESSURE: 3780600 -41.3704 48.791 -142.126 48.7907 -201.179 210.563 -142.126 210.565 258.531 GPRESSURE: 3780600 50.259 56.1238 -95.6888 114.946 -125.44 215.26 -187.732 189.283 172.626 PRESSAVG: 3780600 42.1829 9.62446 0.254097 9.62435 -54.2208 40.2183 0.254086 40.2184 -14.474 GPRESSAVG: 3780600 41.553 10.9692 -0.190573 8.1122 -53.4134 41.9078 1.27795 41.8365 -14.4655 TIMING: 3780600 CPU: 12010.3, 0.00315386/step Wall: 12010.3, 0.00315386/step, 1.06828 hours remaining, 239.835938 MB of memory in use. ENERGY: 3780600 3984.6495 20493.3907 14430.8599 245.1988 -203735.4158 2673.1815 0.0000 0.0000 51960.5667 -109947.5688 298.6181 -161908.1354 -109586.2648 298.2302 5.3270 32.4817 761197.5960 -8.8373 -8.7753 PRESSURE: 3780800 236.77 101.888 35.338 101.888 71.4447 221.502 35.338 221.503 244.035 GPRESSURE: 3780800 274.945 -143.207 147.596 53.5961 53.6297 262.935 19.669 264.643 291.082 PRESSAVG: 3780800 50.1431 56.8447 -81.5667 56.8447 -65.5636 67.4224 -81.5667 67.4224 -7.1092 GPRESSAVG: 3780800 49.4959 55.9747 -80.8971 55.2392 -65.4729 67.9151 -82.0264 66.651 -6.83372 TIMING: 3780800 CPU: 12010.9, 0.0031407/step Wall: 12010.9, 0.0031407/step, 1.06365 hours remaining, 239.835938 MB of memory in use. ENERGY: 3780800 4024.7132 20317.6717 14405.8039 230.0850 -203213.8401 2597.1581 0.0000 0.0000 51838.4162 -109799.9921 297.9161 -161638.4083 -109431.2879 298.0517 184.0832 206.5521 762815.6514 -7.5099 -7.6036 PRESSURE: 3781000 62.8996 94.5576 -199.831 94.5571 78.1826 203.617 -199.832 203.616 121.599 GPRESSURE: 3781000 51.0398 273.196 -123.193 41.0244 159.905 63.4717 -204.765 210.247 130.816 PRESSAVG: 3781000 5.61418 -4.89616 6.62476 -4.89614 -14.3671 30.9625 6.62482 30.9625 11.3451 GPRESSAVG: 3781000 5.25606 -5.27691 5.32562 -3.58031 -14.2689 28.4218 6.82911 32.9375 11.5497 TIMING: 3781000 CPU: 12011.5, 0.00313822/step Wall: 12011.5, 0.00313822/step, 1.06263 hours remaining, 239.835938 MB of memory in use. ENERGY: 3781000 4021.4005 20592.2116 14352.7814 230.3795 -203610.4203 2644.9202 0.0000 0.0000 51882.0105 -109886.7166 298.1666 -161768.7271 -109533.6365 298.2394 87.5605 113.9201 761078.0602 0.8641 0.8456 PRESSURE: 3781200 -116.944 -83.136 106.649 -83.1351 5.7051 -243.477 106.649 -243.476 23.3645 GPRESSURE: 3781200 -94.7845 -171.009 100.879 -184.663 87.2645 -207.118 86.4653 -192.474 13.3543 PRESSAVG: 3781200 18.2123 18.1746 -11.2612 18.1746 -13.2212 10.1493 -11.2612 10.1493 22.7598 GPRESSAVG: 3781200 19.076 18.9418 -10.7234 15.71 -12.6227 10.1989 -11.6282 9.28306 21.7411 TIMING: 3781200 CPU: 12012.2, 0.00317808/step Wall: 12012.2, 0.00317808/step, 1.07596 hours remaining, 239.835938 MB of memory in use. ENERGY: 3781200 4001.2473 20530.3827 14427.9634 261.7825 -203208.6104 2362.7283 0.0000 0.0000 51847.6664 -109776.8398 297.9693 -161624.5062 -109421.7871 298.7281 -29.2913 1.9448 761828.4713 9.2503 9.3981 PRESSURE: 3781400 -397.883 38.1571 -117.085 38.1583 -177.853 -136.374 -117.085 -136.373 -163.898 GPRESSURE: 3781400 -279.425 -80.1892 -151.738 49.1276 -193.677 -51.6342 -77.2768 -41.5652 -195.945 PRESSAVG: 3781400 -36.8492 -55.7479 10.5619 -55.7479 60.2573 -3.89236 10.5619 -3.89238 -2.22006 GPRESSAVG: 3781400 -36.3829 -57.3593 10.9607 -52.7704 59.5053 -2.42457 11.2631 -2.98857 -1.634 TIMING: 3781400 CPU: 12012.8, 0.00319243/step Wall: 12012.8, 0.00319243/step, 1.08064 hours remaining, 239.835938 MB of memory in use. ENERGY: 3781400 4001.9808 20493.9562 14399.3925 254.2151 -203325.5714 2403.6338 0.0000 0.0000 51975.6287 -109796.7642 298.7047 -161772.3929 -109437.9659 298.4037 -246.5447 -223.0159 761405.7239 7.0627 7.1628 PRESSURE: 3781600 -49.9667 -3.34003 96.1527 -3.34005 -170.968 97.7331 96.1522 97.7337 -392.284 GPRESSURE: 3781600 -118.759 63.4429 164.845 -3.89274 -70.3167 58.0743 96.2708 123.449 -347.831 PRESSAVG: 3781600 -47.5589 -60.6225 -4.72758 -60.6225 58.1535 11.3263 -4.72762 11.3261 27.7537 GPRESSAVG: 3781600 -47.0649 -58.7946 -5.23258 -61.394 57.1965 9.93381 -5.87765 11.8446 28.8029 TIMING: 3781600 CPU: 12013.5, 0.00316288/step Wall: 12013.5, 0.00316288/step, 1.07046 hours remaining, 239.835938 MB of memory in use. ENERGY: 3781600 3991.2326 20528.5129 14446.8955 246.7096 -203509.9259 2568.5329 0.0000 0.0000 51991.8650 -109736.1773 298.7980 -161728.0424 -109385.5827 299.0427 -204.4064 -178.9689 760879.5186 12.7828 12.9782 PRESSURE: 3781800 -316.61 171.73 59.5299 171.73 -31.304 -30.3994 59.5303 -30.3994 77.6248 GPRESSURE: 3781800 -232.405 109.182 72.0626 232.188 -10.3658 -125.795 4.08554 -72.8116 62.0803 PRESSAVG: 3781800 -13.5064 11.3013 -17.5933 11.3014 53.6818 13.2859 -17.5933 13.286 -25.5816 GPRESSAVG: 3781800 -13.1401 11.054 -16.869 11.3394 54.0369 14.0116 -17.1236 10.6145 -26.3225 TIMING: 3781800 CPU: 12014.1, 0.00317548/step Wall: 12014.1, 0.00317548/step, 1.07455 hours remaining, 239.835938 MB of memory in use. ENERGY: 3781800 4009.2182 20428.8276 14477.7769 254.7116 -203363.0688 2275.8835 0.0000 0.0000 52078.2307 -109838.4203 299.2943 -161916.6510 -109477.0768 298.9322 -90.0965 -60.2300 759522.5810 4.8646 4.8581 PRESSURE: 3782000 162.762 -112.595 4.81316 -112.596 -11.9033 -94.536 4.81369 -94.5348 129.191 GPRESSURE: 3782000 122.686 7.84218 -23.506 -71.9358 47.2992 -29.9613 -73.8445 -119.683 201.923 PRESSAVG: 3782000 -17.4748 -25.328 -17.1594 -25.328 60.6382 75.4623 -17.1595 75.4623 -0.565932 GPRESSAVG: 3782000 -16.6755 -24.185 -16.5091 -24.2769 60.7364 76.5119 -18.3666 77.2959 -1.28581 TIMING: 3782000 CPU: 12014.7, 0.00317598/step Wall: 12014.7, 0.00317598/step, 1.07454 hours remaining, 239.835938 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: 3782000 3892.4745 20505.8186 14478.0282 244.0758 -203328.9957 2241.9053 0.0000 0.0000 51993.9146 -109972.7787 298.8097 -161966.6933 -109611.5356 298.9188 93.3500 123.9693 758720.6540 14.1992 14.2584 PRESSURE: 3782200 -146.193 86.443 243.958 86.443 -83.1577 73.3706 243.958 73.3707 -146.676 GPRESSURE: 3782200 -202.514 -13.5868 185.115 -1.57914 53.7409 21.4889 103.136 -54.6104 -162.029 PRESSAVG: 3782200 0.190615 3.91885 -41.1616 3.91882 -5.14232 17.9294 -41.1616 17.9294 2.5327 GPRESSAVG: 3782200 -0.890842 3.47282 -43.2136 2.42019 -5.27164 15.5577 -41.5449 16.6485 3.56889 TIMING: 3782200 CPU: 12015.4, 0.00316686/step Wall: 12015.4, 0.00316686/step, 1.07128 hours remaining, 239.835938 MB of memory in use. ENERGY: 3782200 4016.8187 20323.4542 14417.1828 268.7892 -203253.9878 2575.9992 0.0000 0.0000 51932.3843 -109719.3595 298.4561 -161651.7438 -109368.7556 298.5740 -125.3423 -103.6007 760411.6535 -0.8063 -0.8645 PRESSURE: 3782400 139.508 -104.249 24.0697 -104.25 -59.3171 169.133 24.0697 169.132 78.8928 GPRESSURE: 3782400 105.316 -92.0085 83.3354 -175.929 19.2475 89.0275 37.245 229.615 118.087 PRESSAVG: 3782400 28.3246 -37.7686 -3.03131 -37.7686 22.3299 -4.80333 -3.03129 -4.80337 -11.1788 GPRESSAVG: 3782400 26.8191 -37.1567 -0.317948 -38.0598 23.3614 -4.2021 -1.67991 -5.00247 -11.289 TIMING: 3782400 CPU: 12016, 0.00314623/step Wall: 12016, 0.00314623/step, 1.06413 hours remaining, 239.835938 MB of memory in use. ENERGY: 3782400 3987.2304 20412.8553 14505.5358 265.2356 -203649.3901 2691.6634 0.0000 0.0000 51832.1702 -109954.6993 297.8802 -161786.8694 -109599.6113 298.2898 53.0278 80.8835 759789.8119 13.1586 12.9638 PRESSURE: 3782600 29.6595 46.1659 132.888 46.1652 28.4362 102.597 132.889 102.596 -360.208 GPRESSURE: 3782600 175.467 -44.3253 72.5439 70.1141 -104.328 60.3501 142.345 32.7453 -283.244 PRESSAVG: 3782600 10.5078 -66.8571 49.0323 -66.8572 5.12094 0.104277 49.0324 0.104219 -31.3039 GPRESSAVG: 3782600 12.5489 -69.3689 47.1466 -65.849 3.26937 -0.129437 47.3223 2.52362 -31.6674 TIMING: 3782600 CPU: 12016.6, 0.00315018/step Wall: 12016.6, 0.00315018/step, 1.06529 hours remaining, 239.835938 MB of memory in use. ENERGY: 3782600 3987.7935 20473.0421 14466.9698 231.2642 -203177.7092 2192.5345 0.0000 0.0000 52077.3624 -109748.7426 299.2893 -161826.1051 -109389.6136 298.6461 -100.7042 -70.7018 761813.3179 -5.2250 -5.2831 PRESSURE: 3782800 187.148 -241.824 -123.118 -241.824 290.715 -3.30811 -123.119 -3.30943 316.882 GPRESSURE: 3782800 216.965 -147.002 -120.387 -261.743 306.467 73.0725 -92.4823 39.3217 368.396 PRESSAVG: 3782800 -2.37413 -53.1265 4.22804 -53.1265 17.0023 -36.3773 4.2281 -36.3773 7.99928 GPRESSAVG: 3782800 -3.0011 -50.9523 4.35375 -53.7827 17.2651 -36.2158 5.86613 -36.4287 8.18389 TIMING: 3782800 CPU: 12017.2, 0.00312988/step Wall: 12017.2, 0.00312988/step, 1.05825 hours remaining, 239.835938 MB of memory in use. ENERGY: 3782800 3931.7010 20341.5288 14503.3376 226.5583 -203490.9010 2916.7061 0.0000 0.0000 51859.3059 -109711.7632 298.0361 -161571.0691 -109359.7430 298.7866 264.9152 297.2761 761391.2552 7.5425 7.4826 PRESSURE: 3783000 -67.1239 -89.2109 -55.8121 -89.2102 129.054 -161.84 -55.8118 -161.84 -285.814 GPRESSURE: 3783000 142.02 -74.6001 -52.6385 -224.363 69.5483 -215.702 29.5284 -64.0408 -358.424 PRESSAVG: 3783000 22.0757 -24.1294 -16.9738 -24.1294 -0.662363 -20.5864 -16.9738 -20.5864 -19.7376 GPRESSAVG: 3783000 22.3113 -25.2232 -15.2725 -22.4458 -0.885048 -20.1595 -16.5925 -20.8032 -20.047 TIMING: 3783000 CPU: 12017.9, 0.00314549/step Wall: 12017.9, 0.00314549/step, 1.06335 hours remaining, 239.835938 MB of memory in use. ENERGY: 3783000 3947.2179 20379.1201 14519.4966 236.5680 -203466.5566 2680.8104 0.0000 0.0000 52141.1775 -109562.1661 299.6561 -161703.3437 -109205.0326 298.6228 -74.6281 -48.9519 761355.6136 0.5586 0.4597 PRESSURE: 3783200 -311.898 1.59391 102.943 1.59411 57.456 -70.2172 102.943 -70.2169 -204.361 GPRESSURE: 3783200 -191.729 2.30292 212.604 -109.685 -0.0474248 -73.8598 50.8381 -51.4251 -181.527 PRESSAVG: 3783200 -27.4854 -41.5009 42.8087 -41.501 32.8324 -13.1274 42.8087 -13.1275 11.5087 GPRESSAVG: 3783200 -28.9048 -42.8235 43.3562 -40.9602 33.09 -13.7617 40.3736 -14.0602 12.8723 TIMING: 3783200 CPU: 12018.5, 0.00316779/step Wall: 12018.5, 0.00316779/step, 1.07071 hours remaining, 239.835938 MB of memory in use. ENERGY: 3783200 3957.1762 20356.7604 14432.4875 244.8714 -202693.8648 2290.7239 0.0000 0.0000 51932.1796 -109479.6657 298.4549 -161411.8453 -109123.6739 299.0305 -152.9342 -124.4345 762579.3257 5.6186 5.6858 PRESSURE: 3783400 -174.452 96.6977 31.0148 96.6983 -230.109 234.099 31.0147 234.099 332.816 GPRESSURE: 3783400 -180.375 62.3549 34.2554 -27.6119 -167.118 268.496 123.356 81.9432 358.956 PRESSAVG: 3783400 -4.14505 13.473 12.2233 13.4729 42.1344 -32.1016 12.2233 -32.1016 -6.45781 GPRESSAVG: 3783400 -3.08209 16.2946 12.0788 10.7262 41.7252 -30.1862 13.408 -31.0339 -6.98543 TIMING: 3783400 CPU: 12019.1, 0.00313347/step Wall: 12019.1, 0.00313347/step, 1.05894 hours remaining, 239.835938 MB of memory in use. ENERGY: 3783400 3974.1992 20279.5996 14436.3999 244.6332 -203169.6793 2522.3972 0.0000 0.0000 52143.2888 -109569.1614 299.6682 -161712.4502 -109214.2381 299.3526 -23.9154 3.8210 760356.5176 10.5105 10.5525 PRESSURE: 3783600 -243.972 34.6724 -123.356 34.6727 -223.499 -116.404 -123.355 -116.403 -240.6 GPRESSURE: 3783600 -216.594 43.0691 -115.783 16.8581 -200.733 -55.1942 -91.8677 -206.808 -204.295 PRESSAVG: 3783600 -39.8351 18.9967 -41.4186 18.9966 -18.911 42.5565 -41.4186 42.5565 23.2385 GPRESSAVG: 3783600 -40.1537 16.105 -43.4783 19.9144 -19.2717 41.4505 -39.2191 41.3105 23.4426 TIMING: 3783600 CPU: 12019.8, 0.0031378/step Wall: 12019.8, 0.0031378/step, 1.06023 hours remaining, 239.835938 MB of memory in use. ENERGY: 3783600 3960.3724 20416.1007 14481.5337 235.4129 -202822.8520 2339.4919 0.0000 0.0000 51962.2258 -109427.7146 298.6276 -161389.9404 -109060.3018 299.2578 -236.0236 -207.2075 761990.3313 -11.8359 -11.9943 PRESSURE: 3783800 201.864 -99.2235 -102.709 -99.2236 166.818 75.2222 -102.708 75.2231 211.177 GPRESSURE: 3783800 226.721 -53.4863 -143.491 -3.55773 180.87 132.431 -73.0739 11.5592 230.306 PRESSAVG: 3783800 -0.990758 34.0517 -25.0213 34.0517 18.6418 -10.9446 -25.0212 -10.9445 11.6038 GPRESSAVG: 3783800 -2.35614 37.357 -23.1333 33.1751 19.9232 -10.7932 -25.8904 -10.9637 11.7421 TIMING: 3783800 CPU: 12020.4, 0.00313787/step Wall: 12020.4, 0.00313787/step, 1.06008 hours remaining, 239.835938 MB of memory in use. ENERGY: 3783800 3947.2534 20289.8507 14488.7791 265.6877 -202908.5830 2498.6377 0.0000 0.0000 51866.2514 -109552.1230 298.0761 -161418.3744 -109198.0292 299.1001 193.2865 212.6324 761722.3049 9.7516 9.7697 PRESSURE: 3784000 -195.09 -16.8114 -101.919 -16.8111 -41.1945 -58.1518 -101.919 -58.1521 -181.888 GPRESSURE: 3784000 -82.9481 89.5725 -19.0187 -138.192 -83.896 -146.91 -47.0501 74.3438 -169.822 PRESSAVG: 3784000 12.992 25.3663 5.67611 25.3663 15.5331 -3.74059 5.67614 -3.74055 2.75474 GPRESSAVG: 3784000 13.2005 24.7878 5.71961 28.3755 15.4239 -3.83068 4.83731 -3.23278 2.29065 TIMING: 3784000 CPU: 12021, 0.00313019/step Wall: 12021, 0.00313019/step, 1.05731 hours remaining, 239.835938 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: 3784000 4038.9796 20465.2314 14347.6885 273.4507 -203259.1780 2461.7968 0.0000 0.0000 52117.5834 -109554.4476 299.5205 -161672.0310 -109203.6409 299.1168 -139.3909 -112.2219 761917.7171 10.4266 10.3050 PRESSURE: 3784200 -41.9696 51.3619 -193.079 51.3618 758.872 -6.6762 -193.079 -6.67659 582.482 GPRESSURE: 3784200 176.006 -15.1518 -202.498 19.2455 675.411 -92.8022 -218.703 -32.1487 546.418 PRESSAVG: 3784200 -35.9129 -30.6392 -25.8904 -30.6392 25.4796 -20.2325 -25.8905 -20.2324 3.1371 GPRESSAVG: 3784200 -34.4194 -31.5107 -25.0342 -31.1844 24.7724 -20.5444 -25.8776 -22.0295 2.9212 TIMING: 3784200 CPU: 12021.6, 0.00314746/step Wall: 12021.6, 0.00314746/step, 1.06297 hours remaining, 239.835938 MB of memory in use. ENERGY: 3784200 3893.8155 20359.2132 14462.4640 234.3905 -203645.9500 3086.2958 0.0000 0.0000 51993.6174 -109616.1536 298.8080 -161609.7711 -109259.0519 299.1778 433.1283 465.9447 761002.6589 -2.4321 -2.2419 LDB: ============= START OF LOAD BALANCING ============== 12034.1 LDB: ============== END OF LOAD BALANCING =============== 12034.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034.1 LDB: ============= START OF LOAD BALANCING ============== 12034.4 LDB: Largest compute 7072 load 0.034670 is 17.8% of average load 0.195292 LDB: Average compute 0.004369 is 2.2% of average load 0.195292 LDB: TIME 12034.4 LOAD: AVG 0.195292 MAX 0.21622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 12034.4 LOAD: AVG 0.195292 MAX 0.21622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: TIME 12034.4 LOAD: AVG 0.195292 MAX 0.21622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: ============== END OF LOAD BALANCING =============== 12034.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034.4 PRESSURE: 3784400 549.439 -75.4514 -266.036 -75.4506 257.259 -23.4218 -266.037 -23.4223 -86.4496 GPRESSURE: 3784400 649.842 -85.8934 -411.924 -127.763 231.417 36.0475 -269.668 -72.3283 -84.7688 PRESSAVG: 3784400 40.2115 41.9276 -61.6884 41.9276 -19.0298 -10.3139 -61.6885 -10.3139 -3.0364 GPRESSAVG: 3784400 39.3959 40.84 -63.9903 41.0408 -19.835 -10.8869 -63.6022 -6.93993 -1.6172 TIMING: 3784400 CPU: 12022.3, 0.00321284/step Wall: 12022.3, 0.00321284/step, 1.08487 hours remaining, 239.585938 MB of memory in use. ENERGY: 3784400 3975.8615 20526.3786 14422.8473 246.5952 -203213.1398 2541.8484 0.0000 0.0000 51924.1423 -109575.4665 298.4088 -161499.6088 -109214.5623 299.2028 240.0829 265.4966 761179.7337 6.0484 5.9812 PRESSURE: 3784600 -80.5937 -132.565 60.6685 -132.565 -95.0211 392.527 60.6684 392.527 -66.5054 GPRESSURE: 3784600 -27.8663 -123.212 77.5289 -88.7467 -62.337 420.768 210.829 262.527 -56.266 PRESSAVG: 3784600 2.96202 -57.5517 20.9252 -57.5518 -41.8786 -36.797 20.9252 -36.797 19.0112 GPRESSAVG: 3784600 3.30844 -56.4466 22.3305 -56.8839 -41.1212 -37.3435 23.9284 -37.9249 17.7673 TIMING: 3784600 CPU: 12022.9, 0.00315402/step Wall: 12022.9, 0.00315402/step, 1.06483 hours remaining, 239.585938 MB of memory in use. ENERGY: 3784600 3939.1398 20257.3050 14433.7495 270.9668 -203359.3161 2688.6942 0.0000 0.0000 52099.1315 -109670.3294 299.4144 -161769.4608 -109303.1346 298.6936 -80.7067 -48.8231 762516.3707 -6.6351 -6.6818 PRESSURE: 3784800 -188.308 34.5584 -23.8155 34.5587 -294.259 -11.0961 -23.8152 -11.0969 -238.443 GPRESSURE: 3784800 -175.694 -84.951 -36.3187 91.5653 -247.177 -91.4482 33.797 -147.758 -201.327 PRESSAVG: 3784800 23.2658 -73.0179 31.661 -73.0179 -4.5789 29.8244 31.661 29.8244 -27.7744 GPRESSAVG: 3784800 23.5077 -73.2681 29.8683 -75.5087 -4.66969 30.8408 32.5935 29.3332 -28.1729 TIMING: 3784800 CPU: 12023.5, 0.00316035/step Wall: 12023.5, 0.00316035/step, 1.06679 hours remaining, 239.585938 MB of memory in use. ENERGY: 3784800 4005.9146 20481.1892 14515.5176 238.5309 -202699.5368 2114.2632 0.0000 0.0000 51978.9294 -109365.1917 298.7236 -161344.1211 -109004.5468 298.5745 -240.3366 -208.0658 760702.2001 -3.0291 -3.1116 PRESSURE: 3785000 240.966 -47.3727 -154.491 -47.3737 -375.938 -268.111 -154.492 -268.111 237.94 GPRESSURE: 3785000 230.757 -86.5432 -67.0876 33.6068 -234.879 -287.99 -276.998 -179.102 212.724 PRESSAVG: 3785000 39.3888 -26.292 30.9069 -26.2919 -48.6377 -4.39943 30.9069 -4.3994 18.6704 GPRESSAVG: 3785000 38.2957 -27.259 32.1909 -22.1999 -48.6162 -5.50824 27.9536 -3.33312 19.5492 TIMING: 3785000 CPU: 12024.2, 0.00314134/step Wall: 12024.2, 0.00314134/step, 1.0602 hours remaining, 239.585938 MB of memory in use. ENERGY: 3785000 3983.4993 20448.9344 14424.1157 247.6632 -203004.1780 2469.7624 0.0000 0.0000 51937.1951 -109493.0079 298.4838 -161430.2030 -109135.7228 299.1281 34.3226 69.5340 760555.1390 3.1405 3.0762 PRESSURE: 3785200 227.239 35.1142 221.425 35.1143 115.712 42.524 221.426 42.5252 103.231 GPRESSURE: 3785200 308.017 -34.718 263.695 78.2893 72.204 -32.1848 226.585 -8.48694 147.501 PRESSAVG: 3785200 -11.3532 -0.745957 -30.361 -0.746001 7.61781 -1.37699 -30.361 -1.37701 -37.2294 GPRESSAVG: 3785200 -11.0953 1.28417 -30.2652 -3.59982 7.83228 -0.298668 -30.0842 -0.861229 -37.5683 TIMING: 3785200 CPU: 12024.8, 0.00315513/step Wall: 12024.8, 0.00315513/step, 1.06468 hours remaining, 239.585938 MB of memory in use. ENERGY: 3785200 4043.5685 20458.9474 14444.2197 239.4145 -203325.0473 2593.9120 0.0000 0.0000 52016.8108 -109528.1743 298.9413 -161544.9851 -109171.1872 299.2097 148.7272 175.9071 760716.6239 -13.6549 -13.6104 PRESSURE: 3785400 213.428 124.7 148.003 124.7 20.8737 142.556 148.003 142.555 255.159 GPRESSURE: 3785400 209.96 47.6198 206.945 35.8209 81.5069 121.891 266.22 203.104 292.623 PRESSAVG: 3785400 8.96925 -21.5437 -22.4812 -21.5438 32.8169 18.5724 -22.4812 18.5723 -5.59568 GPRESSAVG: 3785400 8.78273 -21.5843 -22.4841 -21.0831 33.3162 18.3382 -22.8878 18.3784 -6.39024 TIMING: 3785400 CPU: 12025.4, 0.00317364/step Wall: 12025.4, 0.00317364/step, 1.07075 hours remaining, 239.585938 MB of memory in use. ENERGY: 3785400 4016.9619 20416.7201 14434.4886 226.6880 -203228.3530 2426.4080 0.0000 0.0000 52131.8264 -109575.2598 299.6023 -161707.0862 -109201.1292 299.6844 163.1538 194.6966 760999.3353 12.0635 11.9029 PRESSURE: 3785600 -232.495 -32.9027 101.96 -32.9032 -423.779 111.779 101.96 111.78 251.278 GPRESSURE: 3785600 -301.187 96.9165 63.852 -190.439 -323.966 78.4685 160.767 238.726 321.6 PRESSAVG: 3785600 8.81942 -35.0794 -5.46215 -35.0795 4.59555 21.9172 -5.46211 21.9172 -12.1502 GPRESSAVG: 3785600 9.19055 -36.0956 -5.63807 -34.9502 4.46972 22.5029 -2.68874 23.7247 -12.4787 TIMING: 3785600 CPU: 12026.1, 0.00314463/step Wall: 12026.1, 0.00314463/step, 1.06079 hours remaining, 239.585938 MB of memory in use. ENERGY: 3785600 3983.0482 20259.0440 14426.9683 262.5535 -203131.8734 2618.5254 0.0000 0.0000 51928.1282 -109653.6057 298.4317 -161581.7339 -109290.7779 298.8888 -134.9986 -101.1842 762801.7622 0.4216 0.3939 PRESSURE: 3785800 217.739 -107.103 -302.015 -107.103 -68.7912 146.671 -302.015 146.67 6.37341 GPRESSURE: 3785800 184.131 -191.252 -266.603 -10.9144 88.1241 93.735 -314.713 58.2194 -0.497928 PRESSAVG: 3785800 14.1509 -1.17268 5.59195 -1.17272 -12.397 -7.98597 5.59193 -7.98601 2.42768 GPRESSAVG: 3785800 13.4597 -1.78257 6.56473 0.0299079 -12.5617 -10.3387 4.54147 -9.74463 3.12406 TIMING: 3785800 CPU: 12026.7, 0.00315374/step Wall: 12026.7, 0.00315374/step, 1.06369 hours remaining, 239.585938 MB of memory in use. ENERGY: 3785800 4095.7321 20550.9868 14417.2883 250.0225 -203667.8264 2863.4514 0.0000 0.0000 52129.5784 -109360.7669 299.5894 -161490.3454 -108998.5393 299.7115 51.7736 90.5856 760857.3503 1.3939 1.3407 PRESSURE: 3786000 -107.532 33.1358 -51.0688 33.1352 256.799 150.127 -51.068 150.126 245.986 GPRESSURE: 3786000 -2.01784 3.34419 -46.3123 -8.38319 218.803 106.972 -26.4373 238.77 269.223 PRESSAVG: 3786000 3.10812 -15.2946 3.32651 -15.2946 11.0658 26.2186 3.32656 26.2186 -18.7493 GPRESSAVG: 3786000 2.7419 -13.3356 3.01028 -14.5868 10.9341 27.9414 4.13476 26.6121 -18.3721 TIMING: 3786000 CPU: 12027.3, 0.00314159/step Wall: 12027.3, 0.00314159/step, 1.05941 hours remaining, 239.585938 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: 3786000 4041.5981 20558.8761 14459.2861 252.4971 -203208.7119 2311.4834 0.0000 0.0000 52125.1251 -109459.8461 299.5638 -161584.9711 -109102.2841 299.8889 131.7511 162.0026 760817.6368 -1.5251 -1.5653 PRESSURE: 3786200 111.486 -62.0093 111.667 -62.0092 7.49158 -117.882 111.667 -117.883 1.98658 GPRESSURE: 3786200 150.213 -91.897 106.581 88.9531 -9.52723 -75.5983 136.54 -128.451 58.7055 PRESSAVG: 3786200 43.2485 3.427 -16.0773 3.42702 9.26809 7.47259 -16.0773 7.47259 -2.19138 GPRESSAVG: 3786200 44.4206 1.38955 -17.2956 1.95932 8.49536 8.02351 -16.2362 6.7542 -2.8416 TIMING: 3786200 CPU: 12028, 0.00315999/step Wall: 12028, 0.00315999/step, 1.06544 hours remaining, 239.585938 MB of memory in use. ENERGY: 3786200 4067.8425 20667.9895 14542.4069 259.8678 -202935.3233 2104.2612 0.0000 0.0000 51871.1102 -109421.8451 298.1040 -161292.9554 -109065.7578 299.5577 40.3212 66.4636 760761.4757 16.7751 16.6915 PRESSURE: 3786400 -128.94 182.804 -77.8113 182.805 -58.9298 -151.134 -77.8107 -151.135 -121.852 GPRESSURE: 3786400 -86.6695 91.863 -78.9416 268.044 -40.1811 -147.07 -80.1415 -123.044 -96.7477 PRESSAVG: 3786400 -10.6548 9.70796 -18.9723 9.70796 22.1529 -4.69855 -18.9723 -4.69843 -5.96759 GPRESSAVG: 3786400 -11.0046 12.3715 -18.5679 9.19493 22.4293 -5.92454 -19.1627 -3.4672 -6.87376 TIMING: 3786400 CPU: 12028.6, 0.00314669/step Wall: 12028.6, 0.00314669/step, 1.06078 hours remaining, 239.585938 MB of memory in use. ENERGY: 3786400 4043.6906 20480.7822 14434.7817 232.1621 -203138.2265 2403.4916 0.0000 0.0000 52007.7382 -109535.5802 298.8892 -161543.3184 -109165.3950 298.9388 -103.2409 -74.5328 761522.0174 1.8435 1.5170 PRESSURE: 3786600 -25.4632 84.1771 -246.531 84.1766 -212.715 27.7479 -246.531 27.7486 -107.761 GPRESSURE: 3786600 35.7946 45.5475 -158.347 89.0013 -178.852 -53.7309 -287.089 54.9568 -114.576 PRESSAVG: 3786600 32.7972 46.8559 -59.9508 46.856 -54.3569 6.35257 -59.9507 6.35255 -6.39817 GPRESSAVG: 3786600 32.3053 45.6389 -60.2803 48.4997 -55.6313 6.08173 -60.3046 4.61912 -4.60957 TIMING: 3786600 CPU: 12029.2, 0.00316544/step Wall: 12029.2, 0.00316544/step, 1.06693 hours remaining, 239.585938 MB of memory in use. ENERGY: 3786600 3963.5044 20449.0624 14415.3315 255.7098 -202969.2567 2267.5053 0.0000 0.0000 52149.7527 -109468.3907 299.7053 -161618.1434 -109093.1847 299.0066 -115.3129 -85.8778 761112.7773 -9.3193 -9.3119 PRESSURE: 3786800 108.189 -16.8218 292.138 -16.8214 -311.573 -393.17 292.14 -393.17 -35.0979 GPRESSURE: 3786800 56.1336 -79.1939 217.648 40.4496 -192.915 -330.841 354.89 -440.42 -11.9347 PRESSAVG: 3786800 67.1631 7.96146 36.8798 7.96147 -62.3669 -9.07276 36.8798 -9.07279 -1.10331 GPRESSAVG: 3786800 66.6451 5.92822 38.6219 7.11702 -60.8185 -6.49915 34.626 -9.91291 -2.56444 TIMING: 3786800 CPU: 12029.9, 0.00316381/step Wall: 12029.9, 0.00316381/step, 1.06621 hours remaining, 239.585938 MB of memory in use. ENERGY: 3786800 4071.4124 20472.1686 14453.9053 252.8031 -203734.0760 2988.8744 0.0000 0.0000 52174.5935 -109320.3187 299.8481 -161494.9121 -108964.9790 299.1749 -79.4940 -49.5720 761170.3522 1.2310 1.0874 PRESSURE: 3787000 208.278 -6.58642 -16.9318 -6.5865 -161.061 -28.3283 -16.9314 -28.3276 142.207 GPRESSURE: 3787000 178.698 76.4507 12.6105 -10.8054 -69.101 -120.333 -98.2287 45.8771 175.084 PRESSAVG: 3787000 53.3872 43.3933 23.1763 43.3933 -22.831 35.5474 23.1763 35.5474 -6.44872 GPRESSAVG: 3787000 53.5539 44.9899 22.1441 43.9326 -22.4296 34.2032 25.1931 35.4975 -6.55509 TIMING: 3787000 CPU: 12030.5, 0.00317058/step Wall: 12030.5, 0.00317058/step, 1.06831 hours remaining, 239.585938 MB of memory in use. ENERGY: 3787000 4028.5184 20419.3915 14420.1959 244.3712 -203373.0569 2648.6117 0.0000 0.0000 52121.9128 -109490.0552 299.5453 -161611.9680 -109126.8240 299.3645 63.1414 94.8939 762013.0096 8.0358 8.1897 PRESSURE: 3787200 -92.9076 77.8924 123.365 77.8927 -187.436 2.56984 123.363 2.57017 -274.972 GPRESSURE: 3787200 -9.14156 123.809 30.3483 23.5108 -161.682 53.6793 153.488 -41.0962 -293.815 PRESSAVG: 3787200 18.8594 1.84026 25.7335 1.84025 -8.3623 -21.9269 25.7336 -21.9269 -10.9301 GPRESSAVG: 3787200 18.6181 2.29359 23.3894 1.17643 -8.50009 -22.4802 27.8084 -18.8121 -10.4533 TIMING: 3787200 CPU: 12031.1, 0.00315065/step Wall: 12031.1, 0.00315065/step, 1.06142 hours remaining, 239.585938 MB of memory in use. ENERGY: 3787200 4036.4986 20599.4814 14442.0487 235.7921 -203437.9386 2651.0533 0.0000 0.0000 52029.7514 -109443.3132 299.0157 -161473.0646 -109097.3027 298.6634 -185.1051 -154.8796 761025.7078 -0.1444 -0.1118 PRESSURE: 3787400 -259.142 9.68733 253.767 9.68775 176.357 95.0815 253.766 95.0819 20.2549 GPRESSURE: 3787400 -128.416 13.1201 262.83 35.8212 113.055 81.1498 334.257 0.30083 41.2872 PRESSAVG: 3787400 -50.6471 0.278721 38.3333 0.278737 38.9722 14.2478 38.3333 14.2477 7.93197 GPRESSAVG: 3787400 -50.1948 -0.786957 39.6793 -0.465856 38.3111 15.0607 36.4824 10.9191 7.69536 TIMING: 3787400 CPU: 12031.8, 0.00314202/step Wall: 12031.8, 0.00314202/step, 1.05834 hours remaining, 239.585938 MB of memory in use. ENERGY: 3787400 4004.8248 20418.8127 14505.5928 240.2996 -203459.7036 2678.3657 0.0000 0.0000 52093.3822 -109518.4258 299.3814 -161611.8081 -109156.9423 299.1725 -20.8433 8.6418 761566.5899 -1.2476 -1.3961 PRESSURE: 3787600 -30.7875 70.3968 -196.543 70.3965 -76.2281 -49.4747 -196.542 -49.4745 -97.842 GPRESSURE: 3787600 36.0517 45.9885 -317.634 44.7938 -17.3198 -75.9356 -107.471 -14.1804 -129.023 PRESSAVG: 3787600 -18.9675 7.65992 -16.0199 7.65995 2.97677 4.31149 -16.0199 4.31149 -10.3902 GPRESSAVG: 3787600 -19.3969 8.68002 -18.2841 7.16217 2.49693 2.39461 -15.3022 6.71354 -10.1105 TIMING: 3787600 CPU: 12032.4, 0.00313737/step Wall: 12032.4, 0.00313737/step, 1.0566 hours remaining, 239.585938 MB of memory in use. ENERGY: 3787600 3992.3684 20540.0198 14500.5366 255.7940 -203634.7480 2654.3528 0.0000 0.0000 52206.8063 -109484.8702 300.0332 -161691.6765 -109125.3297 299.1801 -68.2859 -36.7637 761513.0433 -8.7936 -9.0035 PRESSURE: 3787800 -207.365 98.5681 -6.54227 98.5679 -387.174 -285.916 -6.54227 -285.916 -67.6643 GPRESSURE: 3787800 -148.286 58.0213 112.394 109.377 -324.049 -319.782 -16.7879 -170.462 -96.912 PRESSAVG: 3787800 -44.0822 42.3205 -41.0506 42.3204 56.4954 -4.42837 -41.0505 -4.42829 5.16589 GPRESSAVG: 3787800 -42.8159 40.5559 -38.8463 44.911 55.9831 -3.36105 -41.5852 -4.85589 4.06441 TIMING: 3787800 CPU: 12033, 0.00312295/step Wall: 12033, 0.00312295/step, 1.05157 hours remaining, 239.585938 MB of memory in use. ENERGY: 3787800 4014.0125 20595.3474 14477.4909 244.6631 -203209.0148 2288.7013 0.0000 0.0000 52113.7495 -109475.0501 299.4984 -161588.7996 -109119.5381 299.2602 -220.7345 -189.7489 761332.1983 5.8597 5.7439 PRESSURE: 3788000 -299.607 -54.9897 -136.321 -54.9904 0.31367 -152.585 -136.32 -152.584 -169.176 GPRESSURE: 3788000 -192.494 80.9829 -73.3284 -85.577 -18.7687 -181.781 -48.1101 -51.8761 -164.594 PRESSAVG: 3788000 -28.1804 7.13195 -43.9975 7.13183 -25.9378 -56.687 -43.9975 -56.687 2.61237 GPRESSAVG: 3788000 -28.2993 8.37047 -43.7554 5.70792 -26.2896 -55.7659 -43.8222 -56.8163 3.32714 TIMING: 3788000 CPU: 12033.6, 0.0031403/step Wall: 12033.6, 0.0031403/step, 1.05723 hours remaining, 239.585938 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: 3788000 4024.9568 20650.2302 14528.8615 243.5297 -203432.7851 2680.5884 0.0000 0.0000 51902.2660 -109402.3525 298.2830 -161304.6185 -109046.0546 299.2651 -156.1565 -125.2855 763191.5931 -17.1686 -17.0873 PRESSURE: 3788200 -42.781 48.9555 19.337 48.9559 -26.8671 255.885 19.3378 255.885 6.97723 GPRESSURE: 3788200 -1.35471 -28.2345 -18.691 109.994 15.101 217.539 -28.7078 273.745 17.7239 PRESSAVG: 3788200 -31.986 37.1909 -24.3545 37.1909 28.365 -58.2743 -24.3544 -58.2743 1.41306 GPRESSAVG: 3788200 -31.2586 36.4274 -24.3357 37.5429 29.5453 -58.1225 -25.0997 -58.1899 -0.4709 TIMING: 3788200 CPU: 12034.3, 0.00312464/step Wall: 12034.3, 0.00312464/step, 1.05179 hours remaining, 239.585938 MB of memory in use. ENERGY: 3788200 4096.1876 20562.9378 14545.8878 257.9822 -203607.5885 2692.0954 0.0000 0.0000 52015.4350 -109437.0627 298.9334 -161452.4977 -109083.4427 299.4830 -20.8903 10.4901 760253.0424 -0.7360 -0.7281 LDB: ============= START OF LOAD BALANCING ============== 12046.7 LDB: ============== END OF LOAD BALANCING =============== 12046.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12046.7 LDB: ============= START OF LOAD BALANCING ============== 12047 LDB: Largest compute 7072 load 0.034315 is 17.6% of average load 0.195360 LDB: Average compute 0.004385 is 2.2% of average load 0.195360 LDB: TIME 12047 LOAD: AVG 0.19536 MAX 0.219394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.832 MB LDB: TIME 12047 LOAD: AVG 0.19536 MAX 0.219394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.035 MB LDB: TIME 12047 LOAD: AVG 0.19536 MAX 0.217705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.035 MB LDB: ============== END OF LOAD BALANCING =============== 12047 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 PRESSURE: 3788400 -59.4633 43.5786 -31.132 43.5802 238.093 -304.65 -31.1328 -304.65 -142.305 GPRESSURE: 3788400 -59.6095 98.5917 27.278 -8.3944 339.239 -267.207 -6.4893 -208.071 -148.568 PRESSAVG: 3788400 14.6655 -36.2589 -3.10752 -36.2589 11.2123 36.3616 -3.10758 36.3616 -6.59057 GPRESSAVG: 3788400 13.1483 -36.518 -3.45222 -34.7594 11.0492 35.3392 -3.15124 35.8852 -5.38537 TIMING: 3788400 CPU: 12034.9, 0.00320467/step Wall: 12034.9, 0.00320467/step, 1.07855 hours remaining, 241.832031 MB of memory in use. ENERGY: 3788400 3986.2816 20611.1356 14513.4952 265.5472 -203798.6320 2719.1873 0.0000 0.0000 52174.4849 -109528.5002 299.8475 -161702.9851 -109158.1100 299.7732 12.1082 43.6872 760333.9093 6.4291 6.2707 PRESSURE: 3788600 218.603 -88.7679 -66.2837 -88.768 -26.2855 -198.108 -66.2838 -198.106 -184.325 GPRESSURE: 3788600 200.009 -13.4075 -114.742 -188.909 -22.8329 -247.293 -20.9933 -253.278 -75.3366 PRESSAVG: 3788600 -29.3793 21.5413 -14.5615 21.5413 24.1274 -21.747 -14.5615 -21.747 -5.33411 GPRESSAVG: 3788600 -28.3786 21.9694 -14.1485 18.9949 23.8216 -23.1427 -13.4815 -20.3381 -6.14551 TIMING: 3788600 CPU: 12035.5, 0.0031341/step Wall: 12035.5, 0.0031341/step, 1.05463 hours remaining, 242.035156 MB of memory in use. ENERGY: 3788600 4037.6567 20481.6540 14458.3631 261.4520 -203412.1098 2562.5034 0.0000 0.0000 52021.4851 -109588.9954 298.9682 -161610.4805 -109218.2229 299.5294 2.6643 33.9467 758451.6133 -3.5287 -3.5675 PRESSURE: 3788800 159.298 49.4658 32.925 49.4656 219.116 87.5216 32.9245 87.5223 -146.088 GPRESSURE: 3788800 169.711 224.748 58.2426 6.341 221.622 82.2056 -7.77136 84.5687 -63.8177 PRESSAVG: 3788800 -39.3474 -31.2062 -48.4589 -31.2062 29.9105 -8.89971 -48.4589 -8.89979 0.10255 GPRESSAVG: 3788800 -39.3729 -32.9865 -48.2125 -30.4467 30.4069 -6.53165 -48.47 -10.6894 0.0676471 TIMING: 3788800 CPU: 12036.2, 0.0031481/step Wall: 12036.2, 0.0031481/step, 1.05916 hours remaining, 242.035156 MB of memory in use. ENERGY: 3788800 3997.9573 20550.0963 14541.2206 258.8668 -203324.2740 2474.7278 0.0000 0.0000 52018.2844 -109483.1209 298.9498 -161501.4052 -109112.4150 299.6953 77.4423 109.1717 760824.7257 -3.1114 -2.9661 PRESSURE: 3789000 -251.129 231.68 96.1135 231.679 -73.5635 91.1245 96.1143 91.1248 -88.8261 GPRESSURE: 3789000 -311.035 256.245 115.653 175.922 -62.3176 133.706 42.2152 157.869 32.4092 PRESSAVG: 3789000 -11.4621 -4.67205 16.7641 -4.67202 68.4367 0.067703 16.7641 0.0676663 -5.76687 GPRESSAVG: 3789000 -11.3852 -3.92926 16.2199 -5.81566 67.064 1.01148 14.7125 0.336215 -4.35516 TIMING: 3789000 CPU: 12036.8, 0.00314668/step Wall: 12036.8, 0.00314668/step, 1.05851 hours remaining, 242.035156 MB of memory in use. ENERGY: 3789000 3982.5865 20495.7035 14539.5443 246.7428 -203041.4332 2154.8760 0.0000 0.0000 52108.7126 -109513.2674 299.4695 -161621.9800 -109162.6142 299.7790 -137.8396 -113.6479 759349.2443 17.0692 17.1079 PRESSURE: 3789200 -94.1005 240.25 -32.5347 240.25 -283.701 -139.398 -32.5341 -139.398 -161.402 GPRESSURE: 3789200 -69.1719 222.552 -54.9474 157.184 -208.737 -187.193 -16.9396 -37.9553 -179.536 PRESSAVG: 3789200 -19.9762 32.5296 11.2805 32.5295 -4.22692 -9.51348 11.2805 -9.51338 -3.03218 GPRESSAVG: 3789200 -20.7175 33.8216 8.88168 33.3743 -2.5929 -10.0482 12.6157 -10.2888 -4.196 TIMING: 3789200 CPU: 12037.4, 0.00313797/step Wall: 12037.4, 0.00313797/step, 1.05541 hours remaining, 242.035156 MB of memory in use. ENERGY: 3789200 3992.0760 20671.7457 14455.0118 240.3112 -203165.2589 2282.6659 0.0000 0.0000 52166.9862 -109356.4620 299.8044 -161523.4483 -108999.5585 299.9458 -179.7347 -152.4816 761622.6018 -9.0784 -9.1688 PRESSURE: 3789400 -1.25325 36.4113 140.657 36.411 -144.095 -23.8401 140.657 -23.8408 -356.806 GPRESSURE: 3789400 38.4531 11.5613 42.2079 92.2915 -43.4301 -55.8254 152.837 15.4296 -405.322 PRESSAVG: 3789400 -22.5077 51.6358 13.3207 51.6358 -30.2092 8.38564 13.3207 8.38562 15.9767 GPRESSAVG: 3789400 -21.8947 49.7965 15.5478 52.3425 -30.5165 8.04601 12.5678 8.911 15.8149 TIMING: 3789400 CPU: 12038, 0.00314462/step Wall: 12038, 0.00314462/step, 1.05747 hours remaining, 242.035156 MB of memory in use. ENERGY: 3789400 4000.7726 20492.9974 14401.0545 252.1244 -203122.5478 2436.0788 0.0000 0.0000 52053.0973 -109486.4228 299.1499 -161539.5201 -109124.9501 299.6794 -167.3846 -136.7663 760772.3350 -12.2467 -12.1988 PRESSURE: 3789600 265.092 6.60362 -82.6764 6.60444 88.941 -71.8705 -82.6758 -71.8709 297.303 GPRESSURE: 3789600 272.828 -70.7372 -62.8874 41.9736 109.01 -143.066 -155.2 -139.942 359.691 PRESSAVG: 3789600 52.2274 -10.6165 -18.6727 -10.6164 -30.058 -4.53125 -18.6727 -4.53127 -3.79872 GPRESSAVG: 3789600 52.1228 -10.4582 -17.6647 -10.2571 -30.6238 -6.52112 -19.0328 -4.31137 -2.66564 TIMING: 3789600 CPU: 12038.7, 0.00316192/step Wall: 12038.7, 0.00316192/step, 1.06311 hours remaining, 242.035156 MB of memory in use. ENERGY: 3789600 4108.0887 20731.6688 14513.7212 258.4932 -203403.2110 2738.0816 0.0000 0.0000 51910.9833 -109142.1742 298.3331 -161053.1575 -108784.5122 299.7014 217.1121 247.1764 760537.8892 6.1236 6.2778 PRESSURE: 3789800 156.175 0.0446348 239.707 0.0439908 -263.167 183.983 239.708 183.983 172.209 GPRESSURE: 3789800 172.716 28.0335 258.119 32.4163 -172.6 333.179 140.31 127.88 148.079 PRESSAVG: 3789800 96.4688 24.1378 30.4237 24.1378 -83.4847 51.7537 30.4237 51.7537 37.99 GPRESSAVG: 3789800 96.5091 25.491 28.9325 21.3321 -82.285 54.8371 30.7435 49.6889 36.6713 TIMING: 3789800 CPU: 12039.3, 0.00315607/step Wall: 12039.3, 0.00315607/step, 1.06097 hours remaining, 242.035156 MB of memory in use. ENERGY: 3789800 4045.2347 20550.2420 14529.4934 235.5249 -203284.6740 2434.2643 0.0000 0.0000 51961.8101 -109528.1047 298.6252 -161489.9147 -109164.3989 299.8651 21.7388 49.3980 761093.4214 16.9914 16.9651 PRESSURE: 3790000 -192.507 81.9843 -290.663 81.9841 -143.362 -61.9549 -290.663 -61.9542 12.7186 GPRESSURE: 3790000 -107.145 -1.97792 -324.232 56.0822 -145.704 -78.9113 -132.392 83.7367 19.5252 PRESSAVG: 3790000 6.81775 -19.8041 31.2821 -19.804 -25.4745 43.8134 31.2821 43.8134 -28.4473 GPRESSAVG: 3790000 6.58663 -19.5587 29.5531 -20.1303 -27.546 42.7005 31.246 46.6935 -26.8905 TIMING: 3790000 CPU: 12039.9, 0.003156/step Wall: 12039.9, 0.003156/step, 1.06077 hours remaining, 242.035156 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: 3790000 3960.1714 20466.8490 14532.3615 268.6402 -203106.0270 2294.6490 0.0000 0.0000 52116.7404 -109466.6157 299.5156 -161583.3561 -109101.8114 299.4572 -107.7167 -77.7744 761012.7769 -15.7014 -15.9499 PRESSURE: 3790200 76.8523 -6.74907 140.808 -6.74975 -214.297 8.80184 140.807 8.80128 372.538 GPRESSURE: 3790200 127.136 67.2551 190.349 110.389 -149.499 -96.9001 -65.7128 116.382 358.78 PRESSAVG: 3790200 61.0858 -10.2398 27.1934 -10.2397 -16.1604 16.4489 27.1933 16.4489 -11.2095 GPRESSAVG: 3790200 61.5065 -9.27347 28.389 -11.3727 -14.8108 16.2225 25.0509 15.241 -12.7744 TIMING: 3790200 CPU: 12040.6, 0.00313266/step Wall: 12040.6, 0.00313266/step, 1.05275 hours remaining, 242.035156 MB of memory in use. ENERGY: 3790200 4051.4717 20451.4451 14439.7507 233.1467 -203325.6191 2654.1099 0.0000 0.0000 52255.5907 -109240.1043 300.3136 -161495.6950 -108892.2658 299.3138 78.3644 112.1391 760918.1531 11.2386 11.3071 PRESSURE: 3790400 -23.062 130.513 103.21 130.513 -215.191 -1.01599 103.21 -1.01565 -149.941 GPRESSURE: 3790400 -18.3467 233.801 45.1051 130.523 -84.9514 16.4398 139.471 -93.6965 -216.817 PRESSAVG: 3790400 -50.2089 7.04419 22.7169 7.04417 19.2562 15.2909 22.7169 15.291 2.4853 GPRESSAVG: 3790400 -49.8368 6.34382 22.3206 9.54951 18.9524 15.0118 24.4544 14.9045 2.19296 TIMING: 3790400 CPU: 12041.2, 0.00314303/step Wall: 12041.2, 0.00314303/step, 1.05606 hours remaining, 242.035156 MB of memory in use. ENERGY: 3790400 4024.7987 20674.8748 14448.2437 246.2872 -202947.5457 2354.2426 0.0000 0.0000 52016.9646 -109182.1341 298.9422 -161199.0987 -108824.1633 299.8688 -129.3981 -106.7049 763085.8524 -9.4891 -9.5638 PRESSURE: 3790600 -312.51 -56.5486 51.6397 -56.5492 -462.692 -167.746 51.6402 -167.745 -236.15 GPRESSURE: 3790600 -318.655 -63.3342 18.749 -87.4889 -419.197 -173.761 202.632 9.59692 -194.812 PRESSAVG: 3790600 34.7648 4.41285 74.4163 4.41285 -24.608 -11.0553 74.4162 -11.0552 20.2119 GPRESSAVG: 3790600 33.6504 3.74342 75.1883 3.94123 -24.3544 -10.7308 75.754 -8.58972 20.9675 TIMING: 3790600 CPU: 12041.8, 0.00315346/step Wall: 12041.8, 0.00315346/step, 1.05939 hours remaining, 242.035156 MB of memory in use. ENERGY: 3790600 4062.8873 20532.9754 14518.5395 265.3435 -202913.8349 2145.4185 0.0000 0.0000 52059.9825 -109328.6882 299.1894 -161388.6707 -108959.3349 299.3666 -337.1173 -310.8881 763030.0341 10.1229 10.0878 PRESSURE: 3790800 240.065 -236.697 -1.75905 -236.697 168.617 -200.39 -1.75871 -200.39 150.385 GPRESSURE: 3790800 228.47 -198.299 -4.09832 -235.12 222.906 -155.805 67.2505 -91.211 192.873 PRESSAVG: 3790800 -1.0531 4.59678 26.9482 4.59678 -5.56967 -23.8574 26.9482 -23.8573 -15.0303 GPRESSAVG: 3790800 -0.305957 5.0088 26.0973 5.4939 -5.70198 -23.7449 28.967 -26.8229 -15.4417 TIMING: 3790800 CPU: 12042.4, 0.00314797/step Wall: 12042.4, 0.00314797/step, 1.05737 hours remaining, 242.035156 MB of memory in use. ENERGY: 3790800 4033.2557 20589.3354 14504.4848 245.0133 -203781.7215 2919.8277 0.0000 0.0000 52225.6908 -109264.1138 300.1418 -161489.8045 -108903.2262 299.5231 186.3558 214.7494 761418.8787 -7.2177 -7.1499 PRESSURE: 3791000 -202.569 89.5043 132.963 89.5047 -293.059 -16.6926 132.964 -16.6915 110.452 GPRESSURE: 3791000 -181.189 38.2222 152.545 106.539 -142.421 -14.1408 101.331 -75.4392 23.2066 PRESSAVG: 3791000 33.0799 -34.6663 58.7124 -34.6663 -19.3543 -30.9663 58.7124 -30.9662 9.4552 GPRESSAVG: 3791000 33.0138 -34.3015 59.8989 -35.2528 -20.2013 -34.4299 53.5472 -29.6948 9.84116 TIMING: 3791000 CPU: 12043.1, 0.00314504/step Wall: 12043.1, 0.00314504/step, 1.05621 hours remaining, 242.035156 MB of memory in use. ENERGY: 3791000 3967.7023 20429.4183 14467.1702 266.1702 -202939.8165 2331.8499 0.0000 0.0000 52101.4938 -109376.0118 299.4280 -161477.5056 -109009.3530 299.7220 -128.3922 -100.1345 761073.3685 7.7269 7.5512 PRESSURE: 3791200 -10.402 -0.960804 -59.044 -0.960304 -60.4455 71.4036 -59.0442 71.4036 70.4639 GPRESSURE: 3791200 87.5752 -34.4616 -113.701 -7.87043 -81.1252 32.3516 180.577 -43.9952 67.5957 PRESSAVG: 3791200 -14.6648 0.172705 37.5999 0.172708 -24.2985 2.42896 37.5999 2.42894 -14.1531 GPRESSAVG: 3791200 -16.0182 1.55135 36.8759 0.84301 -23.8747 4.7177 40.8545 -0.322965 -13.4487 TIMING: 3791200 CPU: 12043.7, 0.00313419/step Wall: 12043.7, 0.00313419/step, 1.05239 hours remaining, 242.035156 MB of memory in use. ENERGY: 3791200 4031.9209 20429.0517 14462.8186 250.4210 -203428.4048 2739.5195 0.0000 0.0000 51817.9291 -109696.7440 297.7984 -161514.6731 -109332.3883 298.9644 -0.1279 24.6819 761568.9031 -17.7055 -17.7805 PRESSURE: 3791400 536.903 158.045 -92.8362 158.045 153.149 -38.7468 -92.8357 -38.7488 -2.74814 GPRESSURE: 3791400 481.566 120.828 -71.6165 164.007 267.517 24.2798 -74.9742 -59.9221 20.1315 PRESSAVG: 3791400 22.3553 -3.87415 47.5241 -3.8741 -3.39782 19.1581 47.5241 19.1581 -21.3403 GPRESSAVG: 3791400 22.8864 -5.38903 46.7355 -6.39226 -4.41437 19.0296 47.9974 21.0342 -21.3105 TIMING: 3791400 CPU: 12044.3, 0.00313964/step Wall: 12044.3, 0.00313964/step, 1.05405 hours remaining, 242.035156 MB of memory in use. ENERGY: 3791400 4036.6678 20452.4271 14426.4030 256.4150 -204064.4407 3091.4871 0.0000 0.0000 51954.1339 -109846.9067 298.5811 -161801.0406 -109484.5590 298.5911 229.1010 256.4050 760958.7443 -0.7943 -0.9462 PRESSURE: 3791600 -156.181 211.462 3.66875 211.463 -227.421 -147.201 3.6695 -147.2 100.595 GPRESSURE: 3791600 -73.1505 166.546 1.87966 201.221 -190.535 -214.696 -80.9622 4.36364 51.5404 PRESSAVG: 3791600 21.4352 -1.13457 7.96027 -1.13454 -37.0606 -3.70211 7.9603 -3.70211 -16.1829 GPRESSAVG: 3791600 21.0639 -2.08058 8.6475 3.12165 -36.0027 -4.69449 6.24357 -2.17742 -16.676 TIMING: 3791600 CPU: 12045, 0.00314149/step Wall: 12045, 0.00314149/step, 1.05449 hours remaining, 242.035156 MB of memory in use. ENERGY: 3791600 4023.4268 20533.5205 14360.9654 237.2239 -203584.9254 2712.3527 0.0000 0.0000 52002.7472 -109714.6889 298.8605 -161717.4361 -109359.0905 298.5861 -94.3358 -70.7150 761122.1815 -10.6028 -10.5383 PRESSURE: 3791800 26.6105 179.366 -102.025 179.366 256.089 76.6854 -102.026 76.6847 -9.2346 GPRESSURE: 3791800 122.953 106.288 -131.507 225.108 215.778 1.37682 -8.38002 -33.991 8.48976 PRESSAVG: 3791800 42.3278 -16.3332 -45.2714 -16.3332 -55.1687 -57.5106 -45.2714 -57.5106 -12.7472 GPRESSAVG: 3791800 42.5459 -16.5395 -44.9992 -18.4547 -55.7766 -57.1959 -45.5559 -60.0457 -12.2665 TIMING: 3791800 CPU: 12045.6, 0.00315807/step Wall: 12045.6, 0.00315807/step, 1.05988 hours remaining, 242.035156 MB of memory in use. ENERGY: 3791800 3998.1452 20453.8756 14397.1048 248.9971 -203092.7364 2415.0541 0.0000 0.0000 51967.1851 -109612.3744 298.6561 -161579.5595 -109250.3337 298.8780 91.1551 115.7404 761570.5744 -8.5294 -8.4991 PRESSURE: 3792000 241.548 65.011 -41.6859 65.0111 157.835 -91.4565 -41.6854 -91.4573 189.068 GPRESSURE: 3792000 279.843 168.989 -53.1517 110.003 245.264 -140.064 -70.7037 -67.8545 171.933 PRESSAVG: 3792000 -4.1827 20.1428 -68.4833 20.1429 -1.85298 24.5325 -68.4833 24.5326 4.53568 GPRESSAVG: 3792000 -4.18279 22.2926 -66.7194 18.4386 -2.12235 25.4393 -68.9106 27.7427 4.8346 TIMING: 3792000 CPU: 12046.2, 0.00311859/step Wall: 12046.2, 0.00311859/step, 1.04646 hours remaining, 242.035156 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: 3792000 3869.9244 20535.8791 14387.5718 258.1036 -203170.0874 2589.4830 0.0000 0.0000 52270.2048 -109258.9207 300.3976 -161529.1254 -108896.5098 299.4531 196.1503 232.3464 759364.9418 -0.5000 -0.4902 PRESSURE: 3792200 211.448 -129.224 38.4732 -129.223 448.979 64.6636 38.4733 64.6646 273.127 GPRESSURE: 3792200 186.174 -255.847 153.259 -12.7005 521.945 183.411 109.925 -9.36991 296.901 PRESSAVG: 3792200 27.9273 -22.9628 35.8532 -22.9628 -20.8167 52.1755 35.8531 52.1755 12.8871 GPRESSAVG: 3792200 27.7863 -25.949 37.0128 -20.8956 -19.8522 53.7031 36.9045 49.9504 11.7417 TIMING: 3792200 CPU: 12046.8, 0.00311538/step Wall: 12046.8, 0.00311538/step, 1.04521 hours remaining, 242.035156 MB of memory in use. ENERGY: 3792200 4069.4821 20492.0997 14382.6386 262.4511 -203063.4276 2623.8162 0.0000 0.0000 52307.6618 -108925.2781 300.6129 -161232.9399 -108561.7951 299.8352 311.1848 335.0069 760806.9815 6.6659 6.5586 LDB: ============= START OF LOAD BALANCING ============== 12059.3 LDB: ============== END OF LOAD BALANCING =============== 12059.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12059.3 LDB: ============= START OF LOAD BALANCING ============== 12059.6 LDB: Largest compute 7069 load 0.032640 is 16.7% of average load 0.195219 LDB: Average compute 0.004385 is 2.2% of average load 0.195219 LDB: TIME 12059.6 LOAD: AVG 0.195219 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.367 MB LDB: TIME 12059.6 LOAD: AVG 0.195219 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.367 MB LDB: TIME 12059.6 LOAD: AVG 0.195219 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.367 MB LDB: ============== END OF LOAD BALANCING =============== 12059.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12059.6 PRESSURE: 3792400 196.58 -134.453 -277.394 -134.453 94.5784 146.33 -277.394 146.33 -48.961 GPRESSURE: 3792400 275.093 4.09214 -270.043 -104.389 66.9708 115.946 -289.06 188.429 -39.5999 PRESSAVG: 3792400 -20.401 -2.44391 -1.03465 -2.44388 26.3845 8.30311 -1.03465 8.30317 2.32447 GPRESSAVG: 3792400 -20.4555 -0.782761 -2.37582 -1.56331 25.8816 8.62025 0.229562 7.94641 2.92161 TIMING: 3792400 CPU: 12047.5, 0.00320079/step Wall: 12047.5, 0.00320079/step, 1.07369 hours remaining, 240.605469 MB of memory in use. ENERGY: 3792400 3950.8252 20668.5894 14437.7834 267.7398 -202905.0851 2426.2571 0.0000 0.0000 52113.9366 -109039.9536 299.4995 -161153.8902 -108672.2059 300.0855 80.7324 100.8214 761779.7313 2.7693 2.7826 PRESSURE: 3792600 122.164 47.9983 159.125 47.9973 -236.205 209.365 159.125 209.365 -26.0103 GPRESSURE: 3792600 127.159 1.08136 160.641 29.0938 -138.35 217.429 145.616 173.101 -42.7216 PRESSAVG: 3792600 30.0566 36.2307 15.0967 36.2308 -84.7919 -9.95991 15.0968 -9.95989 -11.068 GPRESSAVG: 3792600 29.7329 35.3706 14.4816 34.301 -85.8811 -12.0597 12.5628 -8.19985 -10.0738 TIMING: 3792600 CPU: 12048.1, 0.00313772/step Wall: 12048.1, 0.00313772/step, 1.05236 hours remaining, 240.605469 MB of memory in use. ENERGY: 3792600 4052.5441 20546.7116 14484.9254 237.1411 -202690.5263 2275.0193 0.0000 0.0000 51990.9054 -109103.2795 298.7924 -161094.1849 -108734.7022 299.4730 -46.6838 -17.9711 761659.7289 -21.9344 -22.0740 PRESSURE: 3792800 270.042 243.387 8.22948 243.388 -48.4111 147.37 8.22906 147.371 -1.9266 GPRESSURE: 3792800 211.197 155.646 105.551 220.634 146.113 241.133 -124.083 90.6066 -50.0165 PRESSAVG: 3792800 42.416 -28.3353 -7.49486 -28.3353 -14.3328 -0.728481 -7.49484 -0.728515 10.3717 GPRESSAVG: 3792800 43.4869 -29.6381 -7.91705 -28.0878 -14.3797 1.25838 -5.65754 -1.17496 8.96968 TIMING: 3792800 CPU: 12048.7, 0.00313673/step Wall: 12048.7, 0.00313673/step, 1.05185 hours remaining, 240.605469 MB of memory in use. ENERGY: 3792800 4010.2222 20691.3476 14501.0453 220.7749 -203218.8854 2563.0451 0.0000 0.0000 52172.4804 -109059.9699 299.8360 -161232.4503 -108699.1408 300.0886 73.2348 102.4314 762306.0801 12.8183 12.6923 PRESSURE: 3793000 179.743 -24.9632 169.132 -24.9636 23.8304 107.234 169.133 107.234 30.4014 GPRESSURE: 3793000 181.885 -6.47717 164.167 -131.029 47.5101 103.726 90.2016 136.509 101.154 PRESSAVG: 3793000 13.672 41.4536 -11.8853 41.4536 -17.9121 20.9407 -11.8852 20.9406 1.59083 GPRESSAVG: 3793000 11.5524 42.645 -12.8163 41.8143 -16.9132 20.0822 -12.659 20.0129 3.12526 TIMING: 3793000 CPU: 12049.4, 0.00313647/step Wall: 12049.4, 0.00313647/step, 1.05159 hours remaining, 240.605469 MB of memory in use. ENERGY: 3793000 3926.7177 20671.7346 14418.1336 247.0000 -203907.0931 2960.7017 0.0000 0.0000 52457.2439 -109225.5617 301.4725 -161682.8055 -108864.0592 299.9077 77.9915 110.1831 760206.2509 -0.8831 -0.7452 PRESSURE: 3793200 349.937 103.4 38.6809 103.4 204.2 5.72358 38.6816 5.72259 452.655 GPRESSURE: 3793200 443.861 58.9773 6.50688 16.5664 237.003 52.3851 136.701 -146.124 414.602 PRESSAVG: 3793200 -24.8514 55.9993 18.8231 55.9993 18.9383 -14.1651 18.823 -14.1651 5.09813 GPRESSAVG: 3793200 -23.1499 56.8993 20.2166 54.6329 18.4313 -14.8956 18.6176 -14.024 4.1464 TIMING: 3793200 CPU: 12050, 0.00313102/step Wall: 12050, 0.00313102/step, 1.04959 hours remaining, 240.605469 MB of memory in use. ENERGY: 3793200 3971.9028 20451.1872 14467.9424 237.7968 -203348.1848 2734.7601 0.0000 0.0000 52173.8975 -109310.6980 299.8441 -161484.5955 -108949.9350 299.9280 335.5975 365.1551 761179.5728 -0.2716 -0.1907 PRESSURE: 3793400 -87.3883 -6.34718 -56.2358 -6.34611 -209.03 42.5708 -56.2353 42.5695 -182.341 GPRESSURE: 3793400 5.14131 49.6125 53.0346 129.739 -196.287 42.7559 -82.0843 -14.6404 -213.748 PRESSAVG: 3793400 8.55238 8.05019 27.9816 8.05022 -4.0557 17.2128 27.9817 17.2128 1.50693 GPRESSAVG: 3793400 8.2131 6.37637 27.5242 10.6481 -4.31443 18.1707 28.8503 17.2475 1.92903 TIMING: 3793400 CPU: 12050.6, 0.00315683/step Wall: 12050.6, 0.00315683/step, 1.05806 hours remaining, 240.605469 MB of memory in use. ENERGY: 3793400 3952.9343 20498.1788 14527.0697 247.9449 -203055.6065 2304.1333 0.0000 0.0000 52156.3912 -109368.9543 299.7435 -161525.3455 -108996.6949 299.6562 -159.5863 -134.9646 761507.5503 2.0012 1.9426 PRESSURE: 3793600 -328.006 2.55722 -169.899 2.55728 38.3972 -121.104 -169.899 -121.105 -48.7506 GPRESSURE: 3793600 -307.71 -85.5454 -183.027 26.4264 154.714 -184.191 -89.9722 -83.8431 -94.5172 PRESSAVG: 3793600 -50.6907 19.3922 -31.4701 19.3923 11.1253 -37.5535 -31.4701 -37.5534 -5.7421 GPRESSAVG: 3793600 -50.6279 20.7233 -32.4689 18.1994 11.8093 -36.6668 -30.457 -38.2831 -5.97692 TIMING: 3793600 CPU: 12051.2, 0.003125/step Wall: 12051.2, 0.003125/step, 1.04722 hours remaining, 240.605469 MB of memory in use. ENERGY: 3793600 3965.7800 20552.2404 14506.3361 235.2533 -203226.8834 2522.7891 0.0000 0.0000 51920.9195 -109523.5650 298.3902 -161444.4845 -109171.3256 299.3556 -112.7863 -82.5044 762235.4685 -15.1025 -14.9318 PRESSURE: 3793800 -392.821 -57.4501 -11.8653 -57.45 -127.144 113.355 -11.8662 113.356 66.842 GPRESSURE: 3793800 -340.64 -136.603 -69.2467 -178.869 -105.096 58.5725 54.185 261.893 61.8545 PRESSAVG: 3793800 -12.6822 50.7671 -15.89 50.7672 22.3121 -36.7784 -15.89 -36.7784 16.0111 GPRESSAVG: 3793800 -11.0391 50.1387 -15.8313 51.238 21.1152 -38.2527 -15.6987 -35.4391 15.6847 TIMING: 3793800 CPU: 12051.9, 0.00313086/step Wall: 12051.9, 0.00313086/step, 1.04901 hours remaining, 240.605469 MB of memory in use. ENERGY: 3793800 4009.9511 20419.1834 14536.9095 240.1463 -203173.7263 2546.1656 0.0000 0.0000 51729.2944 -109692.0759 297.2890 -161421.3704 -109339.3209 298.9270 -151.0408 -127.9606 761900.6094 8.5470 8.5869 PRESSURE: 3794000 -240.602 -184.978 -171.452 -184.978 -293.526 71.2968 -171.452 71.2971 -475.986 GPRESSURE: 3794000 -190.088 -255.843 -191.308 -166.428 -287.819 -7.67962 -119.392 -10.1252 -440.636 PRESSAVG: 3794000 -55.8315 -0.889893 23.6199 -0.889913 58.7401 -41.3245 23.6199 -41.3245 -7.29301 GPRESSAVG: 3794000 -56.4489 -1.1789 24.9374 -0.414643 58.7625 -38.8628 23.6234 -40.3817 -6.45499 TIMING: 3794000 CPU: 12052.5, 0.00312766/step Wall: 12052.5, 0.00312766/step, 1.04777 hours remaining, 240.605469 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: 3794000 4001.2709 20383.9371 14538.7430 237.5698 -202868.4473 2245.7506 0.0000 0.0000 51812.6099 -109648.5659 297.7678 -161461.1759 -109280.4541 298.1429 -336.7046 -306.1811 763313.6489 -1.4615 -1.3805 PRESSURE: 3794200 -34.2702 -92.8045 135.62 -92.8041 121.781 -233.96 135.621 -233.961 221.592 GPRESSURE: 3794200 12.4431 -159.709 221.283 -88.3846 135.127 -268.738 49.5394 -213.82 265.692 PRESSAVG: 3794200 -31.8249 12.933 22.0071 12.9331 40.2737 -11.5844 22.0071 -11.5845 9.3349 GPRESSAVG: 3794200 -32.2768 14.1431 22.6225 11.9591 41.5691 -13.397 20.0333 -13.3441 8.22226 TIMING: 3794200 CPU: 12053.1, 0.00312584/step Wall: 12053.1, 0.00312584/step, 1.04698 hours remaining, 240.605469 MB of memory in use. ENERGY: 3794200 3980.7230 20439.3468 14447.0512 230.2311 -203601.1974 2827.8338 0.0000 0.0000 51768.3804 -109907.6311 297.5136 -161676.0116 -109545.0218 298.2637 103.0343 137.7539 760988.0143 5.9279 5.8382 PRESSURE: 3794400 -376.153 -157.208 104.611 -157.208 -176.876 11.7394 104.611 11.7406 203.829 GPRESSURE: 3794400 -271.343 -111.897 198.791 -136.325 -73.0899 8.7537 39.8826 110.772 89.8764 PRESSAVG: 3794400 -12.6963 -29.0642 5.04472 -29.0642 41.3594 2.47839 5.04468 2.47838 -13.8451 GPRESSAVG: 3794400 -12.1941 -27.7108 4.89822 -27.5485 41.7048 1.67037 5.78706 2.79983 -15.0295 TIMING: 3794400 CPU: 12053.7, 0.00313811/step Wall: 12053.7, 0.00313811/step, 1.05092 hours remaining, 240.605469 MB of memory in use. ENERGY: 3794400 3982.9523 20388.0451 14461.5483 247.6336 -202940.0440 2193.5630 0.0000 0.0000 51931.7151 -109734.5868 298.4523 -161666.3018 -109371.6187 297.9999 -116.3998 -84.8522 763576.0831 4.9393 4.8271 PRESSURE: 3794600 -160.306 165.229 221.254 165.231 -295.79 -5.30057 221.254 -5.30169 173.124 GPRESSURE: 3794600 -129.173 152.901 103.534 246.809 -296.879 6.33348 271.835 193.398 214.184 PRESSAVG: 3794600 38.5431 9.50715 10.5511 9.50717 -6.25067 36.7037 10.551 36.7037 5.25344 GPRESSAVG: 3794600 37.8145 5.93366 9.62101 8.07173 -5.76024 36.8528 10.4131 36.3992 5.00118 TIMING: 3794600 CPU: 12054.4, 0.00311557/step Wall: 12054.4, 0.00311557/step, 1.0432 hours remaining, 240.605469 MB of memory in use. ENERGY: 3794600 4035.6440 20351.4231 14548.1951 246.4703 -203369.0400 2642.0561 0.0000 0.0000 51918.6071 -109626.6443 298.3769 -161545.2514 -109274.2670 297.9880 -94.3238 -70.6223 763104.3777 12.5153 12.3518 PRESSURE: 3794800 218.041 274.65 26.1495 274.65 53.6558 -133.072 26.1497 -133.072 -264.246 GPRESSURE: 3794800 256.39 202.337 -42.7794 198.463 -27.4286 -147.874 54.3701 -119.239 -148.486 PRESSAVG: 3794800 84.7868 6.78359 0.826575 6.78362 -79.7367 -44.0972 0.826605 -44.0972 -8.2654 GPRESSAVG: 3794800 85.163 7.66262 0.594713 7.31916 -80.9591 -44.4342 2.45595 -42.1199 -7.22872 TIMING: 3794800 CPU: 12055, 0.00309885/step Wall: 12055, 0.00309885/step, 1.03743 hours remaining, 240.605469 MB of memory in use. ENERGY: 3794800 3900.4907 20507.0944 14498.8599 242.4798 -203406.9103 2560.9265 0.0000 0.0000 51912.1624 -109784.8966 298.3399 -161697.0590 -109430.7690 299.0021 2.4837 26.8254 762469.5989 -1.0718 -1.0083 PRESSURE: 3795000 128.549 -141.775 13.2165 -141.775 -240.258 67.3905 13.2161 67.3906 -489.532 GPRESSURE: 3795000 119.924 -115.064 55.1543 -122.518 -201.481 190.704 -31.8639 -81.3349 -441.965 PRESSAVG: 3795000 -17.3801 -12.1468 33.1072 -12.1468 -18.9078 16.1879 33.1071 16.188 4.69013 GPRESSAVG: 3795000 -17.885 -12.9574 33.0116 -12.576 -19.441 16.8214 32.1419 14.0501 5.73846 TIMING: 3795000 CPU: 12055.6, 0.00310987/step Wall: 12055.6, 0.00310987/step, 1.04094 hours remaining, 240.605469 MB of memory in use. ENERGY: 3795000 3908.6485 20454.2068 14517.9659 239.1592 -202982.5722 2252.0674 0.0000 0.0000 51945.9309 -109664.5936 298.5340 -161610.5245 -109293.4509 297.9852 -200.4138 -174.5073 762816.5541 -10.5326 -10.5292 PRESSURE: 3795200 -144.735 74.3645 72.0007 74.3649 61.8231 -124.055 72.0011 -124.056 -45.6983 GPRESSURE: 3795200 -45.9696 164.821 135.191 63.1682 15.9513 -166.441 -4.92623 -164.129 -9.92286 PRESSAVG: 3795200 35.6515 5.62033 -10.488 5.6203 4.48932 -18.7001 -10.488 -18.7001 -5.71369 GPRESSAVG: 3795200 36.4777 6.60169 -10.5844 5.87396 5.38733 -18.1145 -9.38288 -18.3542 -7.08908 TIMING: 3795200 CPU: 12056.2, 0.00311159/step Wall: 12056.2, 0.00311159/step, 1.04134 hours remaining, 240.605469 MB of memory in use. ENERGY: 3795200 3956.2785 20564.9120 14539.1957 251.1447 -203766.2454 2731.9892 0.0000 0.0000 52138.0661 -109584.6591 299.6382 -161722.7252 -109222.8042 298.5241 -42.8699 -13.3137 759653.4034 11.4757 11.5920 PRESSURE: 3795400 -190.394 50.5618 78.2891 50.5616 -103.377 163.457 78.2896 163.458 233.881 GPRESSURE: 3795400 -203.051 21.541 169.081 34.8691 -14.7443 176.717 98.297 106.264 249.564 PRESSAVG: 3795400 48.5322 -35.7453 -10.7062 -35.7453 -39.912 4.78976 -10.7061 4.78962 29.795 GPRESSAVG: 3795400 48.1345 -35.8207 -9.8825 -37.4762 -39.378 4.26922 -11.1419 4.22574 29.2429 TIMING: 3795400 CPU: 12056.9, 0.00312053/step Wall: 12056.9, 0.00312053/step, 1.04416 hours remaining, 240.605469 MB of memory in use. ENERGY: 3795400 3933.2471 20527.7812 14483.2614 252.2682 -203641.6885 2677.4877 0.0000 0.0000 52138.5206 -109629.1223 299.6408 -161767.6429 -109267.3444 299.0537 -19.9635 10.5897 761942.7036 12.8051 12.6665 PRESSURE: 3795600 133.371 -190.252 -97.6723 -190.252 -206.861 -148.241 -97.6719 -148.242 -159.046 GPRESSURE: 3795600 115.371 -230.608 -111.838 -147.762 -182.236 -166.022 -143.989 -31.4116 -80.308 PRESSAVG: 3795600 -13.3595 -6.26649 9.88378 -6.26645 -29.1791 4.36047 9.8838 4.36052 -10.2559 GPRESSAVG: 3795600 -12.4039 -6.16545 9.14846 -6.06439 -29.8205 5.15561 8.37046 5.59256 -10.2349 TIMING: 3795600 CPU: 12057.5, 0.00311993/step Wall: 12057.5, 0.00311993/step, 1.04379 hours remaining, 240.605469 MB of memory in use. ENERGY: 3795600 3927.0115 20426.0345 14567.8310 243.8656 -203516.3835 2625.7400 0.0000 0.0000 52046.6186 -109679.2824 299.1126 -161725.9010 -109307.2754 298.9459 -77.5118 -49.0577 760345.1418 -17.5982 -17.4864 PRESSURE: 3795800 -181.262 47.3729 1.01613 47.3721 397.747 -72.3062 1.01654 -72.3066 -80.5556 GPRESSURE: 3795800 -135.51 27.1353 20.648 103.702 415.055 -184.576 36.1916 -6.58432 -67.559 PRESSAVG: 3795800 17.7822 -71.8537 -53.0613 -71.8536 4.58204 -8.48352 -53.0612 -8.4835 23.7828 GPRESSAVG: 3795800 16.5196 -72.1864 -53.6297 -70.2691 5.52116 -9.72988 -51.5332 -8.54258 23.6651 TIMING: 3795800 CPU: 12058.1, 0.00312501/step Wall: 12058.1, 0.00312501/step, 1.04531 hours remaining, 240.605469 MB of memory in use. ENERGY: 3795800 3923.3554 20673.1434 14533.4730 239.3545 -203109.3027 2347.9936 0.0000 0.0000 51710.3736 -109681.6092 297.1802 -161391.9828 -109334.5423 299.4439 45.3098 70.6619 761414.0503 15.3824 15.2353 PRESSURE: 3796000 -225.442 -1.15529 6.40345 -1.15505 -63.6497 -160.237 6.40397 -160.237 -217.358 GPRESSURE: 3796000 -219.46 57.3892 -60.4378 -19.2937 3.78107 -191.004 26.7643 -131.163 -220.028 PRESSAVG: 3796000 30.9078 -12.7528 -21.467 -12.7528 39.0897 -27.9804 -21.4671 -27.9804 -14.1335 GPRESSAVG: 3796000 32.0902 -11.4759 -22.0514 -13.4188 38.7533 -26.9174 -18.9775 -28.1494 -14.0833 TIMING: 3796000 CPU: 12058.7, 0.00312904/step Wall: 12058.7, 0.00312904/step, 1.04649 hours remaining, 240.605469 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: 3796000 3960.4746 20368.2645 14401.2627 262.1958 -202974.8812 2572.1214 0.0000 0.0000 51933.7890 -109476.7733 298.4642 -161410.5623 -109111.7874 299.1099 -168.8167 -145.2359 763168.6516 18.6213 18.9201 PRESSURE: 3796200 289.438 90.058 -2.4209 90.058 93.1195 159.387 -2.42079 159.387 175.307 GPRESSURE: 3796200 264.248 183.641 83.9694 94.1062 186.149 148.347 166.232 185.093 185.864 PRESSAVG: 3796200 13.4908 -12.1004 45.9037 -12.1005 -23.9079 -51.9325 45.9037 -51.9326 26.0051 GPRESSAVG: 3796200 13.2069 -11.5021 47.8339 -12.0045 -22.9005 -53.1144 44.0002 -51.5113 25.8997 TIMING: 3796200 CPU: 12059.4, 0.00311582/step Wall: 12059.4, 0.00311582/step, 1.0419 hours remaining, 240.605469 MB of memory in use. ENERGY: 3796200 3941.2152 20423.0672 14443.8589 238.4443 -203597.4251 2765.3850 0.0000 0.0000 52260.8581 -109524.5964 300.3439 -161785.4545 -109162.6250 298.7166 185.9548 212.0868 760146.9688 5.1960 5.4020 LDB: ============= START OF LOAD BALANCING ============== 12071.8 LDB: ============== END OF LOAD BALANCING =============== 12071.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12071.8 LDB: ============= START OF LOAD BALANCING ============== 12072.1 LDB: Largest compute 7072 load 0.034718 is 17.8% of average load 0.195336 LDB: Average compute 0.004388 is 2.2% of average load 0.195336 LDB: TIME 12072.1 LOAD: AVG 0.195336 MAX 0.216978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 12072.1 LOAD: AVG 0.195336 MAX 0.216978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 12072.1 LOAD: AVG 0.195336 MAX 0.216978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 12072.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.1 PRESSURE: 3796400 -175.041 -19.4039 -34.9109 -19.4046 -90.7028 182.118 -34.9107 182.118 259.417 GPRESSURE: 3796400 -148.057 -72.7931 -30.9401 18.191 -72.7374 125.078 -23.5207 132.003 282.279 PRESSAVG: 3796400 23.9911 -38.2223 10.6058 -38.2224 6.09324 -6.83489 10.6058 -6.83498 -5.21061 GPRESSAVG: 3796400 24.345 -38.5571 8.26632 -37.7524 4.6565 -5.51993 11.7249 -5.63169 -4.77203 TIMING: 3796400 CPU: 12060, 0.00319834/step Wall: 12060, 0.00319834/step, 1.06931 hours remaining, 239.527344 MB of memory in use. ENERGY: 3796400 3948.0019 20460.0128 14497.2499 236.8196 -203703.7049 2697.3340 0.0000 0.0000 52315.8124 -109548.4743 300.6597 -161864.2866 -109182.9323 299.3302 -2.1089 20.4949 761360.7232 8.2912 8.0765 PRESSURE: 3796600 -224.713 -169.137 13.5091 -169.136 -117.392 109.467 13.5104 109.468 -218.462 GPRESSURE: 3796600 -179.54 -224.001 52.9529 -58.0298 31.9427 105.692 108.521 21.4166 -330.421 PRESSAVG: 3796600 -41.9428 -32.3674 15.6267 -32.3674 27.2423 23.1639 15.6266 23.1639 -17.1904 GPRESSAVG: 3796600 -42.8427 -34.6791 18.3088 -30.8943 28.3911 20.5815 12.8774 21.6536 -17.0393 TIMING: 3796600 CPU: 12060.6, 0.0031469/step Wall: 12060.6, 0.0031469/step, 1.05194 hours remaining, 239.527344 MB of memory in use. ENERGY: 3796600 4028.3305 20244.3518 14504.5674 254.3077 -203218.3552 2318.0150 0.0000 0.0000 52328.5217 -109540.2610 300.7327 -161868.7828 -109168.5854 299.0781 -186.8554 -159.3396 762010.0566 -10.6303 -10.4970 PRESSURE: 3796800 -215.389 -157.864 -139.067 -157.864 132.671 -305.273 -139.068 -305.273 -10.8828 GPRESSURE: 3796800 -98.9494 -75.1823 1.42893 -280.901 110.149 -255.54 -135.598 -240.106 -2.32639 PRESSAVG: 3796800 -40.0585 -56.9594 -19.8171 -56.9595 59.7844 -28.1049 -19.8172 -28.1049 22.9495 GPRESSAVG: 3796800 -38.3805 -54.7205 -22.4486 -59.4488 57.978 -25.3557 -19.3679 -28.4563 23.1234 TIMING: 3796800 CPU: 12061.3, 0.00312306/step Wall: 12061.3, 0.00312306/step, 1.0438 hours remaining, 239.527344 MB of memory in use. ENERGY: 3796800 4070.2109 20465.6401 14460.8960 241.7858 -203333.7704 2610.9363 0.0000 0.0000 52102.9583 -109381.3429 299.4364 -161484.3012 -109029.8424 299.2851 -31.2002 2.9578 760019.4249 14.2251 14.2403 PRESSURE: 3797000 103.991 -189.898 130.204 -189.899 -136.41 13.1729 130.204 13.1725 12.9189 GPRESSURE: 3797000 27.8132 -140.471 132.106 -165.35 -49.4141 20.2178 55.7881 70.0949 81.4823 PRESSAVG: 3797000 -9.92195 -42.9451 -12.8982 -42.9451 12.7708 -9.2096 -12.8982 -9.20959 -14.057 GPRESSAVG: 3797000 -11.3461 -45.4041 -11.8246 -41.8337 13.689 -9.79134 -10.3693 -9.30882 -13.5103 TIMING: 3797000 CPU: 12061.9, 0.00312476/step Wall: 12061.9, 0.00312476/step, 1.04419 hours remaining, 239.527344 MB of memory in use. ENERGY: 3797000 4076.7122 20578.9623 14433.2901 225.4225 -203405.7786 2501.9777 0.0000 0.0000 51941.3210 -109648.0928 298.5075 -161589.4138 -109285.9646 298.9010 -6.5000 19.9605 761841.8655 -3.7360 -3.7225 PRESSURE: 3797200 68.1945 -22.4691 -317.949 -22.4689 95.4977 -132.733 -317.948 -132.731 497.89 GPRESSURE: 3797200 89.2601 82.4785 -405.265 -131.125 129.762 -169.475 -213.674 -85.4257 547.576 PRESSAVG: 3797200 35.8037 -62.3767 18.0208 -62.3767 -43.4415 51.6597 18.0208 51.6597 22.507 GPRESSAVG: 3797200 36.5903 -61.0399 18.1213 -61.5633 -43.4104 52.7278 16.9191 51.4236 21.6787 TIMING: 3797200 CPU: 12062.5, 0.0031296/step Wall: 12062.5, 0.0031296/step, 1.04563 hours remaining, 239.527344 MB of memory in use. ENERGY: 3797200 3965.6650 20343.1634 14464.8310 250.5875 -203898.1885 2991.5311 0.0000 0.0000 52024.7295 -109857.6811 298.9868 -161882.4106 -109486.7602 298.1310 220.5275 255.5329 759406.0278 4.9564 4.9529 PRESSURE: 3797400 -154.45 98.3185 101.446 98.3178 -74.3561 78.1085 101.447 78.1091 -211.233 GPRESSURE: 3797400 -113.022 28.038 107.267 50.882 -25.0634 130.095 156.36 116.172 -223.731 PRESSAVG: 3797400 0.145257 -38.5984 13.2588 -38.5985 25.4172 21.6537 13.2588 21.6538 -13.0434 GPRESSAVG: 3797400 0.591063 -39.115 13.6885 -39.4615 24.3466 18.6726 13.7308 24.2351 -12.5941 TIMING: 3797400 CPU: 12063.1, 0.00312725/step Wall: 12063.1, 0.00312725/step, 1.04467 hours remaining, 239.527344 MB of memory in use. ENERGY: 3797400 3997.8240 20315.8057 14489.9330 245.4344 -203597.9116 2731.1992 0.0000 0.0000 52037.7848 -109779.9304 299.0619 -161817.7153 -109416.4963 298.3725 -146.6800 -120.6054 761727.7187 4.1730 4.1145 PRESSURE: 3797600 42.55 -15.5934 125.804 -15.5932 -116.203 -97.4571 125.804 -97.4581 63.8938 GPRESSURE: 3797600 82.3593 -83.5348 64.8272 0.880691 -70.8499 -89.7989 41.5896 -53.4225 69.3327 PRESSAVG: 3797600 24.2673 27.7657 13.773 27.7657 -50.9261 8.01267 13.7731 8.0126 5.28174 GPRESSAVG: 3797600 23.9455 27.6087 12.4232 26.6876 -49.6002 9.38616 14.8166 7.17599 3.97182 TIMING: 3797600 CPU: 12063.8, 0.00312824/step Wall: 12063.8, 0.00312824/step, 1.04483 hours remaining, 239.527344 MB of memory in use. ENERGY: 3797600 3979.4560 20359.6187 14445.8324 255.4613 -203585.0277 2759.9577 0.0000 0.0000 52168.6896 -109616.0121 299.8142 -161784.7017 -109259.5760 298.6005 -3.2529 26.9473 761714.5500 -7.1257 -7.2276 PRESSURE: 3797800 0.541064 -25.6917 -249.199 -25.6915 -366.266 -22.8081 -249.199 -22.8078 67.2264 GPRESSURE: 3797800 -111.862 -57.1429 -240.929 -53.2472 -190.367 46.3573 -183.409 66.4641 90.7001 PRESSAVG: 3797800 15.2214 -34.4467 -32.4002 -34.4467 -21.299 -42.1677 -32.4002 -42.1677 5.16619 GPRESSAVG: 3797800 14.3485 -33.1347 -31.2612 -35.9706 -20.6286 -42.2403 -35.4256 -41.367 5.44698 TIMING: 3797800 CPU: 12064.4, 0.00313904/step Wall: 12064.4, 0.00313904/step, 1.04826 hours remaining, 239.527344 MB of memory in use. ENERGY: 3797800 3972.7537 20385.8269 14505.4905 267.8691 -203100.9586 2353.7455 0.0000 0.0000 52048.7737 -109566.4993 299.1250 -161615.2730 -109204.7125 298.7414 -99.4996 -70.5095 762832.3337 -0.3038 -0.2777 PRESSURE: 3798000 -447.076 54.5557 58.0311 54.5555 -294.096 91.9268 58.0318 91.9271 -515.592 GPRESSURE: 3798000 -383.613 19.9241 49.7265 -61.1605 -294.053 87.8009 218.361 117.533 -482.886 PRESSAVG: 3798000 80.4387 11.0456 -11.3592 11.0456 -42.1741 4.03219 -11.3592 4.03226 -17.0914 GPRESSAVG: 3798000 80.4153 11.4153 -11.3256 12.1395 -43.5318 4.78982 -9.80999 1.64764 -16.1877 TIMING: 3798000 CPU: 12065, 0.00312455/step Wall: 12065, 0.00312455/step, 1.04325 hours remaining, 239.527344 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: 3798000 3944.6271 20593.2328 14489.1503 249.3670 -202756.8967 2106.6731 0.0000 0.0000 51829.4385 -109544.4079 297.8645 -161373.8464 -109174.4551 298.9518 -418.9215 -386.8508 762433.3996 7.0577 6.8986 PRESSURE: 3798200 -89.1096 -98.4023 19.643 -98.4021 -143.126 -178.02 19.6431 -178.02 -304.157 GPRESSURE: 3798200 -113.112 -149.778 -14.873 33.1863 -94.7258 -166.495 -31.5546 -255.807 -223.101 PRESSAVG: 3798200 90.3442 -24.8198 0.782902 -24.8198 -76.6736 -63.6626 0.782888 -63.6626 -10.5992 GPRESSAVG: 3798200 90.5506 -26.7576 0.618582 -22.8583 -76.7056 -65.471 2.01053 -62.972 -10.2175 TIMING: 3798200 CPU: 12065.6, 0.00313764/step Wall: 12065.6, 0.00313764/step, 1.04745 hours remaining, 239.527344 MB of memory in use. ENERGY: 3798200 4012.7641 20467.4043 14410.1500 237.1609 -202951.1938 2313.0299 0.0000 0.0000 51768.1731 -109742.5117 297.5124 -161510.6847 -109390.5535 298.3040 -178.7975 -143.6465 759897.1974 1.0238 1.2092 PRESSURE: 3798400 -30.4628 -39.4316 -83.4478 -39.4326 -9.89315 -169.932 -83.4471 -169.931 149.532 GPRESSURE: 3798400 11.3074 38.3891 -69.9665 -125.286 -44.9071 -219.251 -25.1888 -210.833 239.628 PRESSAVG: 3798400 45.6324 -66.5282 28.5288 -66.5282 -37.2771 -87.498 28.5287 -87.4981 20.5876 GPRESSAVG: 3798400 45.2342 -64.6345 29.6354 -69.6512 -36.9286 -87.2005 28.3673 -85.4664 20.5416 TIMING: 3798400 CPU: 12066.3, 0.00312547/step Wall: 12066.3, 0.00312547/step, 1.04321 hours remaining, 239.527344 MB of memory in use. ENERGY: 3798400 3995.2440 20407.2619 14518.0080 248.7532 -203592.4581 2764.4693 0.0000 0.0000 52099.5710 -109559.1506 299.4170 -161658.7216 -109199.7495 298.4137 36.3920 68.6759 760484.0351 9.6476 9.6157 PRESSURE: 3798600 -466.463 95.2488 -165.088 95.2476 24.6191 157.953 -165.088 157.954 -318.603 GPRESSURE: 3798600 -496.734 226.853 -207.553 126.858 55.5954 146.146 -26.851 124.676 -243.918 PRESSAVG: 3798600 13.3585 -25.4627 35.8445 -25.4627 -22.2216 -49.7091 35.8445 -49.7091 28.0183 GPRESSAVG: 3798600 14.2587 -25.9119 33.4824 -22.2185 -22.0457 -48.3013 36.3663 -51.584 26.6779 TIMING: 3798600 CPU: 12066.9, 0.00313489/step Wall: 12066.9, 0.00313489/step, 1.04618 hours remaining, 239.527344 MB of memory in use. ENERGY: 3798600 4003.2127 20500.4617 14487.4590 256.5197 -202800.7740 2203.5345 0.0000 0.0000 51954.9880 -109394.5984 298.5860 -161349.5863 -109051.9145 299.2553 -253.4820 -228.3522 761435.7936 6.3850 6.2970 PRESSURE: 3798800 -142.286 -68.406 71.201 -68.4058 -104.008 -87.8957 71.2005 -87.8954 -5.9514 GPRESSURE: 3798800 -123.313 -47.9396 59.9317 5.98879 -52.5525 -11.6766 81.5537 -53.4356 -1.97063 PRESSAVG: 3798800 29.2755 46.3849 7.95979 46.3849 -25.4472 -5.57304 7.95979 -5.5731 17.1322 GPRESSAVG: 3798800 28.5035 46.4714 8.40502 47.02 -26.0009 -5.89613 9.01225 -4.7947 18.4718 TIMING: 3798800 CPU: 12067.5, 0.00314394/step Wall: 12067.5, 0.00314394/step, 1.04903 hours remaining, 239.527344 MB of memory in use. ENERGY: 3798800 3978.4073 20473.7873 14522.2946 247.1072 -202979.9518 2361.2615 0.0000 0.0000 51867.5988 -109529.4952 298.0838 -161397.0940 -109162.5331 299.1295 -84.0818 -59.2786 762196.8359 6.9868 6.9915 PRESSURE: 3799000 -51.0878 -25.6754 14.8123 -25.6749 -430.421 -88.1846 14.812 -88.1841 -174.205 GPRESSURE: 3799000 -46.5682 78.8492 75.0397 21.3544 -340.36 -72.9333 50.8602 -34.5366 -189.291 PRESSAVG: 3799000 41.013 5.50051 6.44057 5.50051 -66.7249 0.914417 6.44054 0.91443 9.8556 GPRESSAVG: 3799000 40.7003 4.51658 6.50828 5.0425 -66.4396 1.77353 4.78849 -0.0034411 10.36 TIMING: 3799000 CPU: 12068.1, 0.00313444/step Wall: 12068.1, 0.00313444/step, 1.04568 hours remaining, 239.527344 MB of memory in use. ENERGY: 3799000 3985.5714 20538.8735 14433.5641 250.7862 -202922.0155 2121.5972 0.0000 0.0000 52024.5354 -109567.0877 298.9857 -161591.6231 -109194.1020 299.2663 -218.5711 -192.0732 762619.6765 -5.2854 -5.1264 PRESSURE: 3799200 -86.6396 -206.076 57.8019 -206.075 -606.314 -149.229 57.8019 -149.23 -299.777 GPRESSURE: 3799200 -70.3114 -208.979 15.6649 -254.229 -544.267 -59.9967 75.356 -134.319 -283.679 PRESSAVG: 3799200 93.1615 -19.5387 -2.09264 -19.5388 -125.467 6.39157 -2.09265 6.39154 15.9556 GPRESSAVG: 3799200 92.6413 -17.6703 -1.05282 -20.0937 -125.042 6.74467 -2.70009 4.41009 15.9087 TIMING: 3799200 CPU: 12068.8, 0.00315504/step Wall: 12068.8, 0.00315504/step, 1.05238 hours remaining, 239.527344 MB of memory in use. ENERGY: 3799200 4020.0312 20522.7862 14472.6510 249.7191 -203470.2144 2479.3370 0.0000 0.0000 52050.7324 -109674.9574 299.1363 -161725.6898 -109308.8035 299.0358 -330.9100 -299.4191 762952.3975 -5.4499 -5.4975 PRESSURE: 3799400 -126.179 97.2666 25.1983 97.2673 -17.4918 180.094 25.198 180.093 -536.764 GPRESSURE: 3799400 -64.61 114.029 -72.9265 17.2545 -1.42552 214.673 -86.8541 39.0608 -528.413 PRESSAVG: 3799400 42.2727 -28.8225 -44.6388 -28.8225 -37.5259 -18.8647 -44.6389 -18.8647 14.7762 GPRESSAVG: 3799400 44.0317 -30.5281 -44.5063 -28.4661 -38.4022 -20.1481 -44.2062 -17.446 13.8297 TIMING: 3799400 CPU: 12069.4, 0.00314487/step Wall: 12069.4, 0.00314487/step, 1.04881 hours remaining, 239.527344 MB of memory in use. ENERGY: 3799400 3967.0908 20686.4612 14391.0305 242.5727 -203524.7512 2712.8846 0.0000 0.0000 51829.7041 -109695.0073 297.8660 -161524.7114 -109334.0742 298.7980 -226.8117 -198.1494 763549.9946 6.5077 6.4864 PRESSURE: 3799600 231.489 -97.1314 -157.839 -97.1315 -6.634 24.8662 -157.839 24.8657 123.596 GPRESSURE: 3799600 209.241 -154.51 -181.43 52.5428 70.6581 120.658 -64.323 -7.92612 146.524 PRESSAVG: 3799600 92.0017 6.73021 -50.7695 6.73016 -87.5602 22.94 -50.7695 22.94 -2.89499 GPRESSAVG: 3799600 91.2039 6.15766 -51.4019 7.55764 -87.3643 24.8965 -48.5855 22.2056 -2.75355 TIMING: 3799600 CPU: 12070, 0.00314803/step Wall: 12070, 0.00314803/step, 1.04969 hours remaining, 239.527344 MB of memory in use. ENERGY: 3799600 3917.3763 20497.5131 14492.6198 252.1293 -203741.4932 2826.3611 0.0000 0.0000 52205.3185 -109550.1750 300.0247 -161755.4936 -109184.6966 298.6494 116.1503 142.1411 760595.8158 0.5155 0.3620 PRESSURE: 3799800 -63.4352 -9.3617 21.7377 -9.36155 35.1591 192.552 21.7375 192.553 -55.2701 GPRESSURE: 3799800 20.6599 -40.3371 -38.6459 45.2818 -4.12378 148.089 57.7368 74.6494 -28.2018 PRESSAVG: 3799800 63.0794 -29.3848 -24.0811 -29.3849 -92.6862 8.84761 -24.081 8.84768 6.85521 GPRESSAVG: 3799800 63.1267 -27.7945 -24.4845 -32.3738 -92.6102 8.60267 -25.4042 7.74422 6.43984 TIMING: 3799800 CPU: 12070.7, 0.00315899/step Wall: 12070.7, 0.00315899/step, 1.05317 hours remaining, 239.527344 MB of memory in use. ENERGY: 3799800 3985.4870 20458.6500 14520.5591 236.0159 -203301.9442 2565.5409 0.0000 0.0000 52069.3704 -109466.3209 299.2434 -161535.6912 -109097.7239 299.5081 -27.8487 -3.8886 763298.2468 -7.5839 -7.6812 PRESSURE: 3800000 -264.366 -146.98 101.607 -146.979 -40.8732 -72.6927 101.607 -72.6917 -10.4752 GPRESSURE: 3800000 -301.587 -99.1947 110.253 -72.0253 68.2388 -32.888 185.414 78.217 2.8199 PRESSAVG: 3800000 -2.68046 -12.3776 -3.78808 -12.3776 -10.2633 -17.1523 -3.78815 -17.1523 -10.8079 GPRESSAVG: 3800000 -3.86086 -12.9589 -2.85121 -10.1003 -10.1076 -18.7679 -3.13571 -15.7977 -9.57623 TIMING: 3800000 CPU: 12071.3, 0.00316603/step Wall: 12071.3, 0.00316603/step, 1.05534 hours remaining, 239.527344 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: 3800000 3986.8346 20462.2354 14549.5811 246.4813 -203304.5911 2419.0952 0.0000 0.0000 52155.3845 -109484.9790 299.7377 -161640.3635 -109118.0422 299.2804 -105.2381 -76.8427 762516.7418 -7.9172 -7.8482 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 38.0913 107.146 119.866 107.146 -311.577 -106.796 119.865 -106.795 65.5183 GPRESSURE: 3800200 66.8929 89.46 123.348 51.6796 -213.181 -91.7218 140.073 -175.092 39.7991 PRESSAVG: 3800200 32.3464 -38.5007 -27.9771 -38.5007 -15.4201 10.4402 -27.9772 10.4401 7.08371 GPRESSAVG: 3800200 33.3523 -38.1441 -28.6656 -38.7961 -15.17 8.74361 -28.34 10.6403 5.72431 TIMING: 3800200 CPU: 12071.9, 0.00325778/step Wall: 12071.9, 0.00325778/step, 1.08574 hours remaining, 239.527344 MB of memory in use. ENERGY: 3800200 4021.1191 20662.7782 14484.1710 246.1948 -202941.3638 2373.1850 0.0000 0.0000 52079.6740 -109074.2417 299.3026 -161153.9157 -108710.6888 299.5444 -69.3226 -35.4963 763635.4394 8.0033 7.9689 LDB: ============= START OF LOAD BALANCING ============== 12084.4 LDB: ============== END OF LOAD BALANCING =============== 12084.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.4 LDB: ============= START OF LOAD BALANCING ============== 12084.7 LDB: Largest compute 7072 load 0.033718 is 17.3% of average load 0.195453 LDB: Average compute 0.004373 is 2.2% of average load 0.195453 LDB: TIME 12084.7 LOAD: AVG 0.195453 MAX 0.215019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 12084.7 LOAD: AVG 0.195453 MAX 0.215019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.781 MB LDB: TIME 12084.7 LOAD: AVG 0.195453 MAX 0.215019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.781 MB LDB: ============== END OF LOAD BALANCING =============== 12084.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.7 PRESSURE: 3800400 -344.251 14.8527 -60.0792 14.8544 -209.626 -51.5565 -60.0786 -51.5574 85.7027 GPRESSURE: 3800400 -333.8 -58.3426 -165.019 37.6255 -157.462 -40.9255 7.11866 73.8125 105.424 PRESSAVG: 3800400 -2.76408 -20.5615 -23.6474 -20.5615 -7.30936 36.1375 -23.6474 36.1375 3.45148 GPRESSAVG: 3800400 -3.89634 -21.1632 -25.0154 -20.7979 -6.46264 38.789 -23.7911 36.0521 4.3231 TIMING: 3800400 CPU: 12072.6, 0.00320937/step Wall: 12072.6, 0.00320937/step, 1.06943 hours remaining, 242.148438 MB of memory in use. ENERGY: 3800400 4046.7767 20494.1222 14497.3628 254.5151 -203084.8180 2378.7101 0.0000 0.0000 52131.2903 -109282.0408 299.5992 -161413.3311 -108929.0604 299.7309 -156.0581 -128.6124 763984.8009 -2.2073 -2.0120 PRESSURE: 3800600 140.795 -80.996 83.9539 -80.9961 120.879 87.4448 83.9544 87.4434 -56.9538 GPRESSURE: 3800600 202.481 -144.465 101.592 -86.7031 192.138 34.6221 14.3851 14.8052 -88.8451 PRESSAVG: 3800600 37.6258 -29.3361 -14.8251 -29.3361 -33.2304 -6.51381 -14.8251 -6.51384 -22.4746 GPRESSAVG: 3800600 39.1207 -30.2426 -12.1178 -29.041 -34.472 -6.21945 -17.8138 -5.58777 -23.0596 TIMING: 3800600 CPU: 12073.2, 0.00315824/step Wall: 12073.2, 0.00315824/step, 1.05222 hours remaining, 242.351562 MB of memory in use. ENERGY: 3800600 3945.2493 20817.6985 14480.6805 242.9304 -203542.6294 2934.9694 0.0000 0.0000 52019.9313 -109101.1700 298.9593 -161121.1013 -108736.2082 299.5522 68.2401 101.9249 763158.2864 -6.0264 -6.1370 PRESSURE: 3800800 -65.3673 75.3714 16.401 75.3717 -348.942 -179.967 16.4008 -179.967 359.406 GPRESSURE: 3800800 -48.5377 114.085 -78.5709 78.3763 -306.309 -170.594 -45.3562 -203.682 399.9 PRESSAVG: 3800800 14.1021 -72.2392 -25.1223 -72.2393 -9.05357 -14.9299 -25.1224 -14.9299 -11.4734 GPRESSAVG: 3800800 12.9827 -71.4545 -25.6883 -69.6001 -8.41486 -14.0593 -23.2916 -17.3571 -10.9184 TIMING: 3800800 CPU: 12073.9, 0.00315426/step Wall: 12073.9, 0.00315426/step, 1.05072 hours remaining, 242.351562 MB of memory in use. ENERGY: 3800800 3982.3586 20528.7128 14559.3814 260.1055 -203446.7178 2854.0329 0.0000 0.0000 52414.8261 -108847.3005 301.2287 -161262.1267 -108475.5250 300.5489 -18.3013 15.0178 763869.8236 -2.1416 -2.1169 PRESSURE: 3801000 -1.26779 49.5204 20.2408 49.5206 40.4346 175.887 20.2416 175.887 -404.502 GPRESSURE: 3801000 18.2044 -25.5213 -59.9826 62.6002 77.7138 71.3437 193.41 110.934 -383.046 PRESSAVG: 3801000 8.49954 -38.6741 -10.3152 -38.6742 22.662 -9.69194 -10.3152 -9.692 19.941 GPRESSAVG: 3801000 9.62555 -40.3717 -9.20232 -40.087 21.2784 -9.94067 -9.42879 -8.85466 20.3836 TIMING: 3801000 CPU: 12074.5, 0.00313939/step Wall: 12074.5, 0.00313939/step, 1.04559 hours remaining, 242.351562 MB of memory in use. ENERGY: 3801000 4020.1984 20576.5922 14469.7679 244.4032 -203229.6172 2528.9217 0.0000 0.0000 52392.6443 -108997.0895 301.1012 -161389.7338 -108634.2047 300.8663 -121.7785 -95.7092 764221.2663 17.0342 17.0958 PRESSURE: 3801200 -338.641 174.362 259.711 174.362 124.838 50.7845 259.711 50.785 -84.4144 GPRESSURE: 3801200 -316.574 99.5013 270.751 77.5474 53.2967 91.9557 270.806 27.2541 45.8741 PRESSAVG: 3801200 15.8275 -36.137 21.4345 -36.137 18.3728 5.11785 21.4344 5.1179 -4.05743 GPRESSAVG: 3801200 14.1756 -33.6053 20.7451 -39.173 20.593 5.61882 20.9879 5.09655 -4.51918 TIMING: 3801200 CPU: 12075.1, 0.00314197/step Wall: 12075.1, 0.00314197/step, 1.04628 hours remaining, 242.351562 MB of memory in use. ENERGY: 3801200 4006.5191 20581.2061 14498.2808 252.5101 -203191.3926 2510.5119 0.0000 0.0000 52069.7891 -109272.5754 299.2458 -161342.3645 -108903.2607 299.7678 -99.4059 -72.4677 763016.6257 10.0476 10.0831 PRESSURE: 3801400 -209.618 -26.6688 -72.8288 -26.6694 -42.8019 -56.8409 -72.8287 -56.8419 229.434 GPRESSURE: 3801400 -101.403 -35.953 -145.807 0.691653 -11.1577 14.635 -62.6196 63.5073 162.296 PRESSAVG: 3801400 -22.4012 -12.2798 46.2513 -12.2797 37.5546 18.06 46.2514 18.06 4.48959 GPRESSAVG: 3801400 -21.1993 -13.2094 44.827 -11.1087 35.9673 17.3588 46.6783 19.6387 4.90185 TIMING: 3801400 CPU: 12075.7, 0.00315091/step Wall: 12075.7, 0.00315091/step, 1.04908 hours remaining, 242.351562 MB of memory in use. ENERGY: 3801400 3904.7965 20507.0467 14506.0386 257.6522 -203164.0304 2670.8815 0.0000 0.0000 52187.7409 -109129.8740 299.9237 -161317.6149 -108757.3307 299.8028 -7.6618 16.5783 764405.7277 6.5477 6.5566 PRESSURE: 3801600 -21.5836 224.869 214.859 224.868 27.3472 109.948 214.858 109.947 60.8157 GPRESSURE: 3801600 94.1174 311.346 187.951 226.146 48.4807 66.9895 216.755 120.207 14.586 PRESSAVG: 3801600 -13.828 27.5256 -5.04527 27.5256 -0.295948 -30.0936 -5.04532 -30.0936 14.7859 GPRESSAVG: 3801600 -14.5355 27.1764 -4.69509 28.7416 0.296722 -29.6861 -4.08936 -31.2477 15.0285 TIMING: 3801600 CPU: 12076.4, 0.00313877/step Wall: 12076.4, 0.00313877/step, 1.04486 hours remaining, 242.351562 MB of memory in use. ENERGY: 3801600 4007.3075 20643.4385 14408.2493 254.5867 -203164.3664 2596.7356 0.0000 0.0000 51988.3738 -109265.6751 298.7779 -161254.0489 -108897.9339 299.8338 22.1931 52.3947 763716.6522 0.2207 0.2633 PRESSURE: 3801800 -22.4552 0.303223 -120.243 0.303256 -171.586 -49.1125 -120.242 -49.113 -350.805 GPRESSURE: 3801800 -46.9213 1.1195 -114.328 17.2459 -108.473 -34.9566 -76.0308 -36.2449 -305.557 PRESSAVG: 3801800 -5.30763 -45.118 -2.1833 -45.118 28.6561 12.4347 -2.18333 12.4346 14.7396 GPRESSAVG: 3801800 -4.6892 -45.2932 -1.73314 -44.8159 29.6734 13.9106 -3.57463 12.4271 13.1485 TIMING: 3801800 CPU: 12077, 0.00313273/step Wall: 12077, 0.00313273/step, 1.04268 hours remaining, 242.351562 MB of memory in use. ENERGY: 3801800 4008.2978 20550.8186 14470.9695 252.1280 -203350.5064 2635.4958 0.0000 0.0000 52517.0856 -108915.7111 301.8164 -161432.7967 -108556.1190 300.1859 -181.6151 -153.6505 762046.7824 12.6960 12.7109 PRESSURE: 3802000 481.675 138.528 -112.492 138.528 51.2749 39.0258 -112.491 39.0262 -237.153 GPRESSURE: 3802000 475.989 149.177 -123.815 115.12 83.7472 130.116 -97.854 -0.531435 -198.191 PRESSAVG: 3802000 1.39881 10.5669 15.2399 10.5669 -36.3595 -10.4512 15.2399 -10.4512 -11.3187 GPRESSAVG: 3802000 1.3129 9.15015 15.1921 10.4884 -38.6931 -12.4689 13.8749 -10.6381 -9.71057 TIMING: 3802000 CPU: 12077.6, 0.00313132/step Wall: 12077.6, 0.00313132/step, 1.04203 hours remaining, 242.351562 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: 3802000 4073.8090 20659.7556 14534.6843 274.8696 -203669.1683 2882.1808 0.0000 0.0000 52196.0425 -109047.8265 299.9714 -161243.8690 -108683.5860 300.5206 98.5986 120.5151 761634.4400 -15.4265 -15.6969 PRESSURE: 3802200 -222.036 11.3396 96.9221 11.3404 -344.71 -228.23 96.922 -228.231 -539.828 GPRESSURE: 3802200 -134.943 47.7229 101.633 52.4682 -339.163 -255.893 16.7126 -173.305 -551.634 PRESSAVG: 3802200 10.7285 22.4627 -8.318 22.4627 -19.5992 30.9506 -8.31803 30.9506 -25.3419 GPRESSAVG: 3802200 12.3615 24.1473 -8.11785 21.4167 -19.7794 30.4891 -6.23492 30.1817 -26.7425 TIMING: 3802200 CPU: 12078.2, 0.0031096/step Wall: 12078.2, 0.0031096/step, 1.03463 hours remaining, 242.351562 MB of memory in use. ENERGY: 3802200 4077.9082 20638.4139 14606.1055 281.2436 -203140.5552 2427.8794 0.0000 0.0000 52323.7045 -108785.3002 300.7050 -161109.0047 -108424.0612 300.6732 -368.8576 -341.9134 763777.0935 -11.4042 -11.3868 PRESSURE: 3802400 59.6942 132.04 78.5168 132.04 -71.7737 61.2141 78.5164 61.2143 19.0808 GPRESSURE: 3802400 182.295 20.0636 28.6486 147.508 -5.88324 96.4495 0.856627 18.3634 -73.6292 PRESSAVG: 3802400 17.4015 18.4897 67.5039 18.4897 -53.1536 -17.9932 67.5038 -17.9933 -18.5626 GPRESSAVG: 3802400 15.6265 18.4238 67.9275 19.441 -52.1308 -17.2908 67.2883 -17.7009 -17.7049 TIMING: 3802400 CPU: 12078.9, 0.00313658/step Wall: 12078.9, 0.00313658/step, 1.04344 hours remaining, 242.351562 MB of memory in use. ENERGY: 3802400 4095.3406 20509.3705 14497.5982 249.2977 -203443.1437 2709.3562 0.0000 0.0000 52307.0624 -109075.1181 300.6094 -161382.1805 -108708.4404 300.3492 2.3337 34.2607 761469.7864 -18.1049 -18.0697 PRESSURE: 3802600 -131.874 -2.20495 131.415 -2.2047 -158.887 93.4449 131.416 93.4447 -266.962 GPRESSURE: 3802600 -96.2828 -4.43461 146.505 46.0137 -204.829 51.3088 6.66447 169.858 -206.223 PRESSAVG: 3802600 53.7314 70.905 36.7401 70.905 -50.5556 60.0732 36.7401 60.0731 31.8011 GPRESSAVG: 3802600 53.0561 70.751 33.3444 69.5264 -51.0008 59.5705 39.2865 62.054 32.7709 TIMING: 3802600 CPU: 12079.5, 0.00314382/step Wall: 12079.5, 0.00314382/step, 1.04567 hours remaining, 242.351562 MB of memory in use. ENERGY: 3802600 4055.3268 20578.4484 14493.4228 253.3878 -203008.9892 2471.2032 0.0000 0.0000 52242.3537 -108914.8464 300.2375 -161157.2001 -108550.2090 300.6594 -185.9077 -169.1115 762271.3553 11.6590 11.6088 PRESSURE: 3802800 -19.2308 -50.1943 -196.636 -50.195 -18.6939 -203.325 -196.635 -203.324 206.231 GPRESSURE: 3802800 43.2456 -79.4048 -81.4353 -18.0467 -52.6218 -152.793 -217.741 -285.639 244.08 PRESSAVG: 3802800 -2.76725 -1.6866 58.7062 -1.68662 -1.37775 -8.10577 58.7061 -8.1057 -4.17195 GPRESSAVG: 3802800 -1.9718 -3.18197 61.3516 -1.11286 -1.70551 -8.37256 55.5716 -7.94721 -4.41088 TIMING: 3802800 CPU: 12080.1, 0.00312227/step Wall: 12080.1, 0.00312227/step, 1.03833 hours remaining, 242.351562 MB of memory in use. ENERGY: 3802800 4101.9065 20518.7791 14569.7473 247.3933 -202923.6879 2508.5776 0.0000 0.0000 52064.7910 -108912.4931 299.2171 -160977.2841 -108540.9839 300.4018 56.1020 78.2345 763209.6556 -2.7723 -2.6961 PRESSURE: 3803000 21.4785 -169.847 75.957 -169.848 -12.4593 -70.9356 75.957 -70.9356 227.025 GPRESSURE: 3803000 136.393 -130.625 15.8829 -62.9138 -68.904 -98.5218 70.5241 5.52795 249.839 PRESSAVG: 3803000 13.5323 -15.593 17.8118 -15.5931 -33.77 11.767 17.8118 11.7669 16.1032 GPRESSAVG: 3803000 13.2963 -11.643 17.7172 -16.449 -33.0764 12.7031 18.1655 9.49149 15.6475 TIMING: 3803000 CPU: 12080.8, 0.00316519/step Wall: 12080.8, 0.00316519/step, 1.05243 hours remaining, 242.351562 MB of memory in use. ENERGY: 3803000 4007.5093 20435.7409 14564.5412 232.3496 -203443.8255 2910.6311 0.0000 0.0000 52139.3800 -109153.6734 299.6457 -161293.0534 -108787.3521 300.4436 78.6813 105.7759 762674.2124 -1.3782 -1.3775 PRESSURE: 3803200 33.219 132.236 94.325 132.236 -171.554 194.484 94.3251 194.485 0.279642 GPRESSURE: 3803200 12.7427 31.9113 63.3058 73.4153 -67.743 124.651 19.051 207.592 -6.23872 PRESSAVG: 3803200 20.4419 -1.16476 -10.6574 -1.16472 -39.2998 -5.83941 -10.6574 -5.83944 0.66753 GPRESSAVG: 3803200 20.4495 -2.39138 -13.0631 -2.32716 -38.306 -6.54171 -9.50081 -3.6094 -0.20689 TIMING: 3803200 CPU: 12081.4, 0.00313784/step Wall: 12081.4, 0.00313784/step, 1.04316 hours remaining, 242.351562 MB of memory in use. ENERGY: 3803200 3979.7288 20376.5534 14497.8853 233.7471 -203462.4895 2788.7121 0.0000 0.0000 52254.2256 -109331.6372 300.3058 -161585.8628 -108970.3499 299.4770 -46.0183 -20.4130 762726.3545 -6.0635 -6.0211 PRESSURE: 3803400 193.615 -168.1 -95.1433 -168.101 -48.9347 137.027 -95.144 137.026 78.0997 GPRESSURE: 3803400 199.423 -72.5958 -107.294 -84.1916 54.1484 127.354 -72.4358 110.796 64.7446 PRESSAVG: 3803400 -12.8048 -13.1615 18.4241 -13.1616 1.15327 86.4184 18.4241 86.4184 -18.0967 GPRESSAVG: 3803400 -12.388 -14.1296 20.3016 -10.8587 -0.0731863 87.9931 16.7738 85.8891 -16.9619 TIMING: 3803400 CPU: 12082, 0.0031317/step Wall: 12082, 0.0031317/step, 1.04094 hours remaining, 242.351562 MB of memory in use. ENERGY: 3803400 3983.3470 20497.1020 14521.9080 240.8202 -203370.5174 2908.4174 0.0000 0.0000 52009.1364 -109209.7864 298.8972 -161218.9229 -108846.0257 299.2594 74.2600 106.1054 764855.7183 -9.9161 -9.8077 PRESSURE: 3803600 -141.712 61.5138 78.7044 61.5141 -228.656 -12.8102 78.7049 -12.8097 49.2336 GPRESSURE: 3803600 -152.344 95.3171 96.6303 13.7811 -152.043 49.7309 49.368 -99.6094 64.8748 PRESSAVG: 3803600 -12.4176 -5.97934 13.9954 -5.97931 -7.88778 47.2587 13.9954 47.2587 12.7565 GPRESSAVG: 3803600 -12.2528 -4.6202 11.9612 -7.50986 -6.68972 47.3313 13.1135 47.5681 10.8376 TIMING: 3803600 CPU: 12082.6, 0.00315276/step Wall: 12082.6, 0.00315276/step, 1.04777 hours remaining, 242.351562 MB of memory in use. ENERGY: 3803600 3996.5967 20496.0900 14498.4804 229.6605 -203013.7547 2623.2293 0.0000 0.0000 52056.9598 -109112.7380 299.1721 -161169.6978 -108746.6405 299.5869 -107.0447 -79.8375 763359.4214 -2.5163 -2.7017 PRESSURE: 3803800 -96.463 111.023 175.682 111.023 -440.889 71.5748 175.682 71.575 -232.535 GPRESSURE: 3803800 -55.8596 65.3578 78.4318 47.714 -427.532 144.144 196.101 -1.19059 -196.215 PRESSAVG: 3803800 -2.76471 0.983089 -42.9049 0.98307 -17.3324 12.9499 -42.905 12.95 -6.96404 GPRESSAVG: 3803800 -3.06105 -4.12876 -41.0415 3.41716 -18.2108 13.082 -43.3803 12.7815 -5.60112 TIMING: 3803800 CPU: 12083.3, 0.00316172/step Wall: 12083.3, 0.00316172/step, 1.05057 hours remaining, 242.351562 MB of memory in use. ENERGY: 3803800 4046.7856 20490.6944 14530.7869 242.7985 -202769.8944 2293.6211 0.0000 0.0000 51960.2627 -109204.9452 298.6163 -161165.2079 -108839.4005 299.8058 -256.6289 -226.5356 762598.5172 -9.0204 -8.9577 PRESSURE: 3804000 25.7314 169.899 139.492 169.899 37.9354 62.8459 139.491 62.8463 -165.874 GPRESSURE: 3804000 115.195 2.28936 123.795 141.017 72.3933 -28.4672 168.794 -34.7465 -205.018 PRESSAVG: 3804000 0.793701 -9.71895 30.8398 -9.71897 12.7187 29.2111 30.8398 29.2112 13.9203 GPRESSAVG: 3804000 1.92882 -7.67252 31.0796 -11.6754 13.368 29.3897 32.7014 29.1287 12.8979 TIMING: 3804000 CPU: 12083.9, 0.00316011/step Wall: 12083.9, 0.00316011/step, 1.04986 hours remaining, 242.351562 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: 3804000 4011.1001 20448.4966 14523.5253 239.7005 -203222.0639 2421.8860 0.0000 0.0000 52296.7064 -109280.6489 300.5499 -161577.3554 -108916.2385 299.4196 -34.0691 -5.8098 761525.6188 9.1442 9.3982 PRESSURE: 3804200 -214.05 90.496 -148.568 90.4957 52.2123 -36.4271 -148.568 -36.4263 -149.563 GPRESSURE: 3804200 -90.8612 157.53 -115.229 112.773 61.657 -48.4048 -119.02 102.074 -216.735 PRESSAVG: 3804200 20.3022 -32.8102 37.2153 -32.8103 -3.47397 9.89137 37.2153 9.89128 10.156 GPRESSAVG: 3804200 19.4718 -32.8112 39.0256 -33.5783 -3.7149 9.36473 36.55 10.2053 10.7301 TIMING: 3804200 CPU: 12084.5, 0.00315358/step Wall: 12084.5, 0.00315358/step, 1.04751 hours remaining, 242.351562 MB of memory in use. ENERGY: 3804200 4054.2839 20707.4298 14558.6824 241.6917 -203407.2496 2525.4271 0.0000 0.0000 52089.4795 -109230.2553 299.3590 -161319.7348 -108874.7993 299.5888 -103.8001 -81.9798 763154.6716 8.9948 8.8290 LDB: ============= START OF LOAD BALANCING ============== 12097 LDB: ============== END OF LOAD BALANCING =============== 12097 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097 LDB: ============= START OF LOAD BALANCING ============== 12097.3 LDB: Largest compute 7072 load 0.035374 is 18.1% of average load 0.195400 LDB: Average compute 0.004366 is 2.2% of average load 0.195400 LDB: TIME 12097.3 LOAD: AVG 0.1954 MAX 0.216568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.598 MB LDB: TIME 12097.3 LOAD: AVG 0.1954 MAX 0.216568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.602 MB LDB: TIME 12097.3 LOAD: AVG 0.1954 MAX 0.216568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.602 MB LDB: ============== END OF LOAD BALANCING =============== 12097.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097.3 PRESSURE: 3804400 -503.911 27.5746 -60.7617 27.575 -349.245 129.081 -60.7614 129.081 -8.16538 GPRESSURE: 3804400 -458.353 -25.8664 -86.7487 -18.9638 -339.791 149.564 -48.6256 135.866 22.7668 PRESSAVG: 3804400 -36.7067 -7.06782 -0.543788 -7.06776 21.9926 1.53095 -0.543785 1.53091 -0.982967 GPRESSAVG: 3804400 -36.2226 -6.21791 -3.18838 -4.60176 22.1201 2.52128 -0.0487436 2.78873 -1.20285 TIMING: 3804400 CPU: 12085.2, 0.00322706/step Wall: 12085.2, 0.00322706/step, 1.07174 hours remaining, 240.488281 MB of memory in use. ENERGY: 3804400 4023.9710 20506.9324 14522.1424 246.2259 -202873.1656 2282.2684 0.0000 0.0000 52175.6926 -109115.9328 299.8544 -161291.6255 -108747.5947 300.2332 -287.1072 -258.4591 764121.4801 -5.2324 -5.1018 PRESSURE: 3804600 206.969 -56.2311 127.648 -56.2309 -27.9667 -198.546 127.646 -198.546 152.88 GPRESSURE: 3804600 200.096 -7.07872 44.7649 -71.1687 121.617 -152.305 44.849 -258.693 103.742 PRESSAVG: 3804600 4.25659 -64.8582 24.9297 -64.8581 2.02035 -25.5096 24.9297 -25.5096 3.99775 GPRESSAVG: 3804600 4.15345 -63.0423 25.4255 -67.8531 2.10986 -25.2472 24.8422 -26.7084 4.30586 TIMING: 3804600 CPU: 12085.8, 0.00317415/step Wall: 12085.8, 0.00317415/step, 1.05399 hours remaining, 240.488281 MB of memory in use. ENERGY: 3804600 3912.1226 20436.1279 14560.0733 254.3430 -203751.1911 2737.0924 0.0000 0.0000 52497.7164 -109353.7155 301.7051 -161851.4319 -108988.1897 300.2754 110.6274 141.8182 761219.3828 3.4249 3.5231 PRESSURE: 3804800 118.114 -6.72271 98.7057 -6.72312 289.731 -225.801 98.7052 -225.8 204.935 GPRESSURE: 3804800 176.604 6.08528 88.8969 -73.4846 231.745 -238.463 0.117313 -305.399 309.023 PRESSAVG: 3804800 -8.99993 -26.6314 -1.77691 -26.6314 27.0139 3.39593 -1.77691 3.3959 5.17504 GPRESSAVG: 3804800 -9.686 -29.4101 -0.750139 -24.5482 27.2789 2.09047 -1.81868 3.27022 5.48436 TIMING: 3804800 CPU: 12086.4, 0.00314077/step Wall: 12086.4, 0.00314077/step, 1.04274 hours remaining, 240.488281 MB of memory in use. ENERGY: 3804800 3980.1612 20299.6590 14557.1728 251.7738 -203720.4452 2895.7414 0.0000 0.0000 52005.9839 -109729.9531 298.8791 -161735.9370 -109359.6396 299.3450 204.2599 239.1240 758101.3839 7.7297 7.6924 PRESSURE: 3805000 8.90943 113.221 60.1936 113.222 -160.902 -82.4889 60.1931 -82.4903 233.771 GPRESSURE: 3805000 51.3378 120.693 -22.5725 96.0118 -134.913 -80.5654 139.02 9.69445 251.307 PRESSAVG: 3805000 48.6756 10.9397 21.2166 10.9397 -28.719 -75.3066 21.2167 -75.3066 26.8902 GPRESSAVG: 3805000 48.7052 13.1113 22.0105 11.7346 -28.9463 -75.6584 21.3927 -75.5725 27.053 TIMING: 3805000 CPU: 12087.1, 0.00314759/step Wall: 12087.1, 0.00314759/step, 1.04482 hours remaining, 240.488281 MB of memory in use. ENERGY: 3805000 3985.6537 20552.1433 14565.0248 225.0799 -203566.8969 2680.4906 0.0000 0.0000 51731.6522 -109826.8524 297.3025 -161558.5046 -109480.9917 298.8586 27.2595 55.9104 762166.9545 15.6156 15.6040 PRESSURE: 3805200 32.1129 -192.806 186.095 -192.806 63.7531 -62.9733 186.095 -62.9738 -176.201 GPRESSURE: 3805200 1.37593 -129.73 224.207 -254.988 147.009 -121.837 245.608 -77.673 -143.55 PRESSAVG: 3805200 66.7923 -21.7416 6.02653 -21.7416 -49.0212 -21.7857 6.02648 -21.7857 -15.8184 GPRESSAVG: 3805200 66.363 -24.4304 4.61502 -22.5177 -49.4389 -21.707 4.26357 -21.3434 -14.9304 TIMING: 3805200 CPU: 12087.7, 0.00314429/step Wall: 12087.7, 0.00314429/step, 1.04355 hours remaining, 240.488281 MB of memory in use. ENERGY: 3805200 3906.5590 20401.2980 14544.0696 228.7571 -203806.0269 2790.4511 0.0000 0.0000 52095.8143 -109839.0777 299.3954 -161934.8921 -109482.5445 298.6403 -26.7782 1.6116 762414.6865 0.6509 0.6645 PRESSURE: 3805400 -21.3409 -47.5682 22.2814 -47.5681 -49.8484 -10.7026 22.2818 -10.7022 -2.35441 GPRESSURE: 3805400 -31.7482 -9.44772 45.9902 -6.92256 2.18752 -96.7586 41.6205 -3.16101 50.1957 PRESSAVG: 3805400 -15.2533 -52.7626 70.2646 -52.7626 -21.9941 -3.67482 70.2646 -3.67482 7.84157 GPRESSAVG: 3805400 -15.4808 -51.2422 72.2183 -50.4072 -21.281 -3.79917 70.2907 -3.48111 7.28697 TIMING: 3805400 CPU: 12088.3, 0.00314621/step Wall: 12088.3, 0.00314621/step, 1.04402 hours remaining, 240.488281 MB of memory in use. ENERGY: 3805400 3981.1604 20593.4569 14533.1940 233.9599 -203623.8894 2649.4152 0.0000 0.0000 51990.5764 -109642.1267 298.7906 -161632.7031 -109284.8292 298.8192 -24.5145 6.8783 762789.0830 -9.8019 -9.8249 PRESSURE: 3805600 7.26283 73.4386 -61.9348 73.4378 -163.876 -109.96 -61.9349 -109.96 -236.144 GPRESSURE: 3805600 30.6515 59.7567 -37.962 -2.68593 -117.023 -131.326 -36.0005 -137.032 -213.607 PRESSAVG: 3805600 -14.9585 -79.3155 4.56751 -79.3155 26.1692 1.23209 4.56753 1.23205 -20.6243 GPRESSAVG: 3805600 -12.6454 -77.5989 2.16708 -82.0474 25.3563 1.9988 6.55685 1.07352 -21.2883 TIMING: 3805600 CPU: 12089, 0.00312667/step Wall: 12089, 0.00312667/step, 1.03736 hours remaining, 240.488281 MB of memory in use. ENERGY: 3805600 3978.5025 20467.7365 14531.5713 237.2272 -203297.8003 2531.7368 0.0000 0.0000 51807.9908 -109743.0352 297.7412 -161551.0260 -109386.0700 298.7563 -130.9191 -99.9928 763287.7085 -3.1379 -2.8591 PRESSURE: 3805800 7.71466 128.686 -230.182 128.686 235.191 55.2833 -230.183 55.2819 -62.3892 GPRESSURE: 3805800 26.4431 5.49064 -205.619 154.844 189.185 -6.77649 -241.761 7.06623 34.3698 PRESSAVG: 3805800 6.79608 -28.2457 -2.81434 -28.2457 5.15776 -40.7844 -2.81435 -40.7845 -15.4976 GPRESSAVG: 3805800 6.39864 -31.4386 -1.43871 -28.1693 5.39849 -41.0689 -3.44067 -42.0058 -15.7012 TIMING: 3805800 CPU: 12089.6, 0.0031648/step Wall: 12089.6, 0.0031648/step, 1.04983 hours remaining, 240.488281 MB of memory in use. ENERGY: 3805800 3921.6697 20562.0788 14450.8210 236.8503 -204073.3543 2889.1544 0.0000 0.0000 52120.8066 -109891.9735 299.5390 -162012.7802 -109536.3648 298.5523 60.1721 83.3326 758939.3201 -1.1812 -1.3014 PRESSURE: 3806000 104.288 -135.506 271.327 -135.506 -333.468 278.177 271.327 278.177 548.913 GPRESSURE: 3806000 93.1263 -137.864 319.496 -240.089 -203.563 287.932 170.521 83.3058 501.261 PRESSAVG: 3806000 -22.68 -56.0256 45.6822 -56.0256 22.3405 30.1156 45.6822 30.1156 -7.83152 GPRESSAVG: 3806000 -23.7467 -53.1751 44.2238 -57.4772 21.5007 29.6225 46.4957 30.7298 -6.14614 TIMING: 3806000 CPU: 12090.2, 0.0031604/step Wall: 12090.2, 0.0031604/step, 1.0482 hours remaining, 240.488281 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: 3806000 4027.8304 20475.4035 14418.0655 243.0115 -203927.2600 2742.7905 0.0000 0.0000 52280.7184 -109739.4403 300.4580 -162020.1587 -109373.6491 298.9595 106.5775 130.2746 760781.8985 -2.7237 -2.7974 PRESSURE: 3806200 -29.3897 -82.2221 -102.472 -82.2216 109.628 -158.742 -102.473 -158.742 -337.882 GPRESSURE: 3806200 31.3553 -122.774 -130.939 -5.14946 141.796 -193.985 -93.2968 -268.401 -341.398 PRESSAVG: 3806200 -24.797 -19.5828 32.3212 -19.5827 -15.6169 -44.5816 32.3212 -44.5815 -29.5037 GPRESSAVG: 3806200 -25.2049 -19.4963 34.9897 -18.0006 -14.7324 -44.3682 32.1727 -44.0707 -30.5076 TIMING: 3806200 CPU: 12090.8, 0.00313482/step Wall: 12090.8, 0.00313482/step, 1.03954 hours remaining, 240.488281 MB of memory in use. ENERGY: 3806200 4039.2770 20577.0166 14470.5476 263.9972 -203635.7390 2713.2893 0.0000 0.0000 52053.2275 -109518.3837 299.1506 -161571.6112 -109154.5776 299.0983 -85.8812 -56.0822 761150.2393 -23.3058 -23.4816 PRESSURE: 3806400 64.5099 -3.1154 -9.25816 -3.11578 -90.0668 53.5013 -9.25773 53.5012 -242.837 GPRESSURE: 3806400 57.8718 27.2233 36.1223 -95.6054 -81.1358 193.114 -19.942 105.896 -151.637 PRESSAVG: 3806400 -38.3447 -21.7478 -4.95673 -21.7478 1.57196 -57.9391 -4.95674 -57.9392 4.57931 GPRESSAVG: 3806400 -37.8929 -24.9424 -7.15363 -20.1124 0.45536 -56.7002 -4.42617 -58.0997 5.01879 TIMING: 3806400 CPU: 12091.5, 0.00312582/step Wall: 12091.5, 0.00312582/step, 1.03638 hours remaining, 240.488281 MB of memory in use. ENERGY: 3806400 4029.7873 20553.4484 14497.5907 250.0683 -203664.6639 2603.3405 0.0000 0.0000 52308.0255 -109422.4032 300.6149 -161730.4288 -109060.9479 299.2679 -89.4647 -58.3003 759615.4506 -10.7312 -10.8063 PRESSURE: 3806600 52.3631 -143.094 303.49 -143.094 -114.293 127.806 303.49 127.806 97.2098 GPRESSURE: 3806600 -4.23054 -99.9332 326.303 -233.339 24.6746 67.7014 228.735 74.1599 109.594 PRESSAVG: 3806600 38.876 -48.5187 92.6056 -48.5188 15.0648 -22.4534 92.6056 -22.4535 -15.9248 GPRESSAVG: 3806600 38.3682 -44.7553 92.4122 -52.1417 15.6667 -23.2571 92.9862 -20.3509 -16.3661 TIMING: 3806600 CPU: 12092.1, 0.00313722/step Wall: 12092.1, 0.00313722/step, 1.03999 hours remaining, 240.488281 MB of memory in use. ENERGY: 3806600 3915.4209 20470.0564 14442.3161 237.4838 -203791.9894 2920.9444 0.0000 0.0000 52259.3634 -109546.4044 300.3353 -161805.7679 -109183.9979 299.3262 11.7602 43.3459 761097.1282 12.6720 12.5563 PRESSURE: 3806800 -6.4946 123.737 -61.0213 123.737 181.194 -167.419 -61.0226 -167.419 5.46357 GPRESSURE: 3806800 62.5171 186.969 -72.5845 -15.5628 145.471 -185.786 -24.9049 -127.493 61.9342 PRESSAVG: 3806800 44.3783 -25.5343 59.9871 -25.5343 -82.1008 5.05261 59.9871 5.05255 40.9313 GPRESSAVG: 3806800 43.8853 -25.2901 60.2149 -24.7456 -81.7062 7.10725 59.5607 2.3774 40.9279 TIMING: 3806800 CPU: 12092.7, 0.00314317/step Wall: 12092.7, 0.00314317/step, 1.04179 hours remaining, 240.488281 MB of memory in use. ENERGY: 3806800 3925.7103 20442.5005 14439.8565 249.1053 -203402.1726 2739.9023 0.0000 0.0000 51984.9703 -109620.1273 298.7583 -161605.0977 -109254.3554 298.9439 60.0543 89.9740 761604.2674 1.0696 1.0357 PRESSURE: 3807000 226.486 -127.561 -39.2414 -127.561 -24.9739 52.4969 -39.2413 52.4972 205.988 GPRESSURE: 3807000 279.349 -118.86 -85.4582 -160.306 1.51578 -62.1557 60.2133 114.898 195.472 PRESSAVG: 3807000 -6.05187 18.5571 -16.6457 18.5572 -1.98869 -21.9388 -16.6458 -21.9388 -14.9056 GPRESSAVG: 3807000 -4.24184 18.1473 -15.8007 18.1376 -3.44824 -23.559 -16.1181 -21.3644 -15.5659 TIMING: 3807000 CPU: 12093.4, 0.00313404/step Wall: 12093.4, 0.00313404/step, 1.03858 hours remaining, 240.488281 MB of memory in use. ENERGY: 3807000 3955.5288 20616.3699 14489.2587 241.2161 -203845.0960 2925.6888 0.0000 0.0000 52187.0437 -109429.9900 299.9197 -161617.0337 -109066.3606 298.9660 135.8336 158.7791 761315.4721 -7.6487 -7.7520 PRESSURE: 3807200 -112.429 149.084 70.8508 149.084 59.5942 97.4553 70.852 97.4554 -403.824 GPRESSURE: 3807200 -170.418 89.3224 54.7809 132.655 183.224 162.276 -42.359 77.4311 -382.523 PRESSAVG: 3807200 41.2776 -33.0628 20.8624 -33.0628 -46.4835 -15.2587 20.8624 -15.2586 17.5928 GPRESSAVG: 3807200 40.1274 -33.4226 22.3353 -33.6872 -46.4388 -13.429 18.8368 -15.6577 18.8484 TIMING: 3807200 CPU: 12094, 0.00313368/step Wall: 12094, 0.00313368/step, 1.03829 hours remaining, 240.488281 MB of memory in use. ENERGY: 3807200 4038.0789 20494.8356 14509.8531 253.7233 -203489.4448 2619.5990 0.0000 0.0000 52145.6156 -109427.7394 299.6816 -161573.3550 -109074.1318 299.3855 -152.2195 -123.2394 762140.5035 4.1289 4.1790 PRESSURE: 3807400 61.5473 6.80964 127.989 6.80937 84.6744 48.6786 127.989 48.6794 248.319 GPRESSURE: 3807400 135.221 10.7947 86.6144 25.0138 122.944 -53.778 185.018 88.0433 221.09 PRESSAVG: 3807400 -27.946 11.7667 20.5496 11.7667 9.31815 36.7038 20.5496 36.7037 -5.38004 GPRESSAVG: 3807400 -26.1439 10.8978 18.6749 12.5091 9.52617 35.3702 21.1166 36.3782 -7.03478 TIMING: 3807400 CPU: 12094.6, 0.00314501/step Wall: 12094.6, 0.00314501/step, 1.04187 hours remaining, 240.488281 MB of memory in use. ENERGY: 3807400 4063.6809 20534.1469 14489.2068 219.4922 -203577.9621 2806.2482 0.0000 0.0000 52077.8155 -109387.3716 299.2919 -161465.1871 -109021.3344 299.5848 131.5136 159.7518 761326.4024 -8.0026 -7.8842 PRESSURE: 3807600 -25.3352 -109.158 21.0692 -109.159 4.23469 101.015 21.0688 101.014 345.685 GPRESSURE: 3807600 -34.7179 -121.66 63.5101 -257.93 104.52 82.4919 121.502 30.1467 359.712 PRESSAVG: 3807600 -23.7678 -31.6797 28.4923 -31.6797 -42.6165 21.8115 28.4923 21.8116 16.1321 GPRESSAVG: 3807600 -25.0316 -31.1714 28.5825 -32.1537 -42.2647 23.8241 30.2082 23.0644 17.2703 TIMING: 3807600 CPU: 12095.2, 0.00316335/step Wall: 12095.2, 0.00316335/step, 1.04777 hours remaining, 240.488281 MB of memory in use. ENERGY: 3807600 4001.2361 20402.8349 14426.6808 259.1882 -203348.9630 2708.0645 0.0000 0.0000 52086.3743 -109464.5841 299.3411 -161550.9584 -109104.2804 298.8143 108.1950 143.1712 761646.0065 -16.7507 -16.6754 PRESSURE: 3807800 109.467 73.1374 128.665 73.1372 168.849 9.55374 128.665 9.55386 146.053 GPRESSURE: 3807800 182.186 44.8495 108.78 193.191 176.808 -53.0938 56.4784 61.6928 162.126 PRESSAVG: 3807800 -17.8007 0.210479 61.4636 0.210464 26.8285 -28.2332 61.4636 -28.2332 -17.7447 GPRESSAVG: 3807800 -18.0181 -1.2354 61.1771 0.177516 25.5736 -28.8276 61.0808 -28.9232 -16.3098 TIMING: 3807800 CPU: 12095.9, 0.00317558/step Wall: 12095.9, 0.00317558/step, 1.05165 hours remaining, 240.488281 MB of memory in use. ENERGY: 3807800 3896.2184 20470.8433 14486.9805 273.1038 -203022.0556 2420.3014 0.0000 0.0000 51656.8832 -109817.7250 296.8728 -161474.6082 -109456.9990 298.5436 141.4564 173.7067 761325.3139 -2.9056 -2.9181 PRESSURE: 3808000 50.6514 100.177 81.4065 100.177 -316.506 0.897056 81.4056 0.895695 -16.8584 GPRESSURE: 3808000 74.3321 120.452 -30.5501 78.6699 -275.224 57.7738 135.294 44.249 -21.6209 PRESSAVG: 3808000 4.72705 3.10744 30.608 3.10742 -11.6874 17.6869 30.608 17.6869 3.50617 GPRESSAVG: 3808000 5.18397 5.02491 29.8352 4.31646 -11.883 17.917 27.9515 18.2753 2.82362 TIMING: 3808000 CPU: 12096.5, 0.00316373/step Wall: 12096.5, 0.00316373/step, 1.04755 hours remaining, 240.488281 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: 3808000 4030.2248 20483.6122 14528.1903 258.0250 -203450.3398 2629.1995 0.0000 0.0000 51797.6447 -109723.4432 297.6818 -161521.0879 -109375.7971 298.1401 -94.2376 -74.1709 761525.4613 -1.1514 -1.2918 PRESSURE: 3808200 315.865 -234.324 94.5505 -234.325 232.071 -67.8703 94.5505 -67.8699 -20.46 GPRESSURE: 3808200 286.206 -158.219 48.6672 -229.018 298.845 -205.777 113.612 -14.2759 39.2078 PRESSAVG: 3808200 0.7348 -5.83336 -14.4479 -5.83345 -1.45778 -5.69252 -14.4479 -5.69248 -9.2376 GPRESSAVG: 3808200 0.0728055 -3.71551 -13.1889 -6.45896 0.395604 -6.85355 -12.4563 -6.00844 -10.2539 TIMING: 3808200 CPU: 12097.1, 0.00317156/step Wall: 12097.1, 0.00317156/step, 1.04996 hours remaining, 240.488281 MB of memory in use. ENERGY: 3808200 3972.9358 20573.9959 14446.4187 223.3155 -203517.7393 2674.6111 0.0000 0.0000 52051.9881 -109574.4742 299.1435 -161626.4624 -109221.0596 298.9238 175.8253 208.0862 760416.9603 -3.3202 -3.2618 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 7072 load 0.034936 is 17.9% of average load 0.195356 LDB: Average compute 0.004375 is 2.2% of average load 0.195356 LDB: TIME 12109.9 LOAD: AVG 0.195356 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.309 MB LDB: TIME 12109.9 LOAD: AVG 0.195356 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: TIME 12109.9 LOAD: AVG 0.195356 MAX 0.213496 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.516 MB LDB: ============== END OF LOAD BALANCING =============== 12109.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109.9 PRESSURE: 3808400 73.0722 126.614 12.6155 126.614 -191.236 5.10236 12.6163 5.10272 168.139 GPRESSURE: 3808400 146.62 25.2033 -52.2609 74.9595 -172.403 -0.886779 52.3986 -64.9171 159.374 PRESSAVG: 3808400 54.638 -27.43 -26.8654 -27.43 -26.7987 3.58006 -26.8655 3.58001 23.9866 GPRESSAVG: 3808400 55.4095 -32.2384 -27.0131 -28.9201 -27.9489 3.77944 -26.239 3.46083 24.0336 TIMING: 3808400 CPU: 12097.8, 0.00323266/step Wall: 12097.8, 0.00323266/step, 1.07001 hours remaining, 240.855469 MB of memory in use. ENERGY: 3808400 4092.9190 20436.5910 14520.7860 236.4488 -203770.8031 2786.3672 0.0000 0.0000 52109.0987 -109588.5925 299.4717 -161697.6912 -109219.9714 299.2384 16.6584 44.5301 760142.8045 17.2753 17.1647 PRESSURE: 3808600 -310.07 133.58 -214.814 133.581 -48.9789 100.905 -214.814 100.904 -181.109 GPRESSURE: 3808600 -201.037 98.4283 -205.976 172.331 -104.313 80.8177 -172.899 182.556 -144.459 PRESSAVG: 3808600 21.4667 -68.5642 33.176 -68.5641 -2.17106 66.9908 33.176 66.9908 -3.06211 GPRESSAVG: 3808600 20.2732 -65.9367 31.5991 -66.556 -1.7501 66.8891 33.668 66.4566 -1.99272 TIMING: 3808600 CPU: 12098.4, 0.00315375/step Wall: 12098.4, 0.00315375/step, 1.04372 hours remaining, 241.058594 MB of memory in use. ENERGY: 3808600 4095.9587 20374.9805 14568.9393 255.7550 -203497.9686 2444.5369 0.0000 0.0000 52097.5965 -109660.2017 299.4056 -161757.7982 -109299.5678 298.8434 -180.0525 -149.9366 761834.4852 5.4112 5.5101 PRESSURE: 3808800 -383.936 73.848 60.333 73.8475 -127.23 26.1228 60.3333 26.1234 -125.26 GPRESSURE: 3808800 -346.264 -44.9599 124.726 -2.32836 -98.7157 32.2926 -75.7011 -156.311 -109.574 PRESSAVG: 3808800 23.9647 16.0011 37.3502 16.0011 -18.5457 23.7637 37.3502 23.7636 0.0347459 GPRESSAVG: 3808800 24.7181 16.9473 37.9088 13.7762 -18.2626 22.6779 36.9156 26.032 -1.21594 TIMING: 3808800 CPU: 12099.1, 0.00313958/step Wall: 12099.1, 0.00313958/step, 1.03885 hours remaining, 241.058594 MB of memory in use. ENERGY: 3808800 3985.6293 20467.6448 14502.6391 264.3008 -203799.9279 2718.6033 0.0000 0.0000 52120.4663 -109740.6443 299.5370 -161861.1107 -109384.1743 299.1152 -212.1420 -184.8513 761199.3315 1.8179 1.7465 PRESSURE: 3809000 240.002 50.7598 78.4743 50.7603 -129.352 -20.0888 78.4748 -20.0884 -288.785 GPRESSURE: 3809000 243.996 57.7633 6.22504 94.0233 -70.449 42.3827 -14.0661 -167.815 -253.601 PRESSAVG: 3809000 -41.5162 24.8064 -1.84213 24.8063 47.7712 38.0017 -1.8421 38.0018 13.4248 GPRESSAVG: 3809000 -41.7005 23.365 -1.01785 26.4978 48.0048 39.0881 -4.11551 35.0807 13.4979 TIMING: 3809000 CPU: 12099.7, 0.00315592/step Wall: 12099.7, 0.00315592/step, 1.04408 hours remaining, 241.058594 MB of memory in use. ENERGY: 3809000 3951.1683 20450.1024 14527.8734 261.1171 -203687.6773 2682.9631 0.0000 0.0000 52106.9616 -109707.4914 299.4594 -161814.4530 -109336.2436 299.0467 -59.3783 -26.6845 759983.7204 6.5599 6.6008 PRESSURE: 3809200 -362.189 -132.97 114.697 -132.971 -570.275 -149.573 114.698 -149.573 -367.482 GPRESSURE: 3809200 -309.877 -37.294 73.6756 -103.726 -536.972 -133.151 84.5191 -13.7121 -368.577 PRESSAVG: 3809200 -13.577 -40.4419 46.94 -40.4419 25.174 36.4567 46.94 36.4567 10.0044 GPRESSAVG: 3809200 -13.0645 -40.8935 46.3081 -39.5175 24.9989 36.5533 47.7442 38.0764 9.74091 TIMING: 3809200 CPU: 12100.3, 0.00315683/step Wall: 12100.3, 0.00315683/step, 1.04421 hours remaining, 241.058594 MB of memory in use. ENERGY: 3809200 3985.4192 20596.5025 14599.8951 253.5572 -203642.7026 2570.0578 0.0000 0.0000 51962.6157 -109674.6551 298.6299 -161637.2708 -109318.4179 298.1258 -433.3153 -405.1421 761914.3599 7.2005 7.2251 PRESSURE: 3809400 -341.245 -144.415 -79.8355 -144.413 -475.723 44.0057 -79.8365 44.0069 -139.371 GPRESSURE: 3809400 -398.063 -152.994 26.3269 -177.591 -443.101 83.8523 -36.241 59.0303 -47.8741 PRESSAVG: 3809400 27.5639 -8.53556 31.1541 -8.53553 -27.9965 -18.8253 31.1542 -18.8254 -1.67363 GPRESSAVG: 3809400 28.5643 -6.30053 32.1042 -10.56 -28.4693 -18.9469 31.7253 -20.1674 -1.70247 TIMING: 3809400 CPU: 12100.9, 0.00316528/step Wall: 12100.9, 0.00316528/step, 1.04683 hours remaining, 241.058594 MB of memory in use. ENERGY: 3809400 4050.1606 20524.5448 14599.8014 239.5426 -203665.7264 2447.8300 0.0000 0.0000 52058.8304 -109745.0166 299.1828 -161803.8470 -109392.8509 298.8271 -318.7798 -296.3460 761115.8345 -0.7021 -0.5358 PRESSURE: 3809600 356.652 -99.5157 -189.214 -99.5156 -82.3293 95.6797 -189.214 95.6817 98.9184 GPRESSURE: 3809600 338.516 -206.988 -202.902 -54.1682 -55.3549 118.763 -93.6658 82.4797 189.036 PRESSAVG: 3809600 17.1899 -30.5076 -0.283109 -30.5076 -4.63969 44.0637 -0.283125 44.0637 10.6454 GPRESSAVG: 3809600 17.1402 -32.8988 0.231097 -28.3407 -5.59005 44.6026 -0.176899 45.2922 12.0176 TIMING: 3809600 CPU: 12101.6, 0.00316697/step Wall: 12101.6, 0.00316697/step, 1.04721 hours remaining, 241.058594 MB of memory in use. ENERGY: 3809600 3946.1506 20364.2927 14609.9103 254.1474 -204215.5112 2985.8962 0.0000 0.0000 52298.9028 -109756.2112 300.5625 -162055.1140 -109390.4672 298.5502 124.4136 157.3991 760362.8947 7.7319 7.8559 PRESSURE: 3809800 121.055 -51.7886 -91.0463 -51.7877 -254.126 -53.8206 -91.0458 -53.8199 117.91 GPRESSURE: 3809800 146.748 -17.876 -6.98668 23.3247 -167.43 -165.878 -187.011 -11.0309 90.1348 PRESSAVG: 3809800 17.358 11.0998 12.4611 11.0998 -22.6108 53.662 12.4611 53.6621 1.42916 GPRESSAVG: 3809800 16.563 12.992 13.3944 9.66392 -21.5253 51.8731 12.1512 54.6824 1.11244 TIMING: 3809800 CPU: 12102.2, 0.00317241/step Wall: 12102.2, 0.00317241/step, 1.04883 hours remaining, 241.058594 MB of memory in use. ENERGY: 3809800 4013.4067 20500.9245 14561.8312 239.7913 -203680.3514 2759.0936 0.0000 0.0000 51901.0049 -109704.2992 298.2758 -161605.3041 -109341.7568 298.7103 -5.0539 23.1510 763619.8028 -1.2745 -1.2833 PRESSURE: 3810000 -145.534 -232.565 -160.966 -232.564 -383.556 132.803 -160.968 132.803 -418.101 GPRESSURE: 3810000 -232.705 -298.962 -230.929 -157.176 -301.868 75.8977 47.0739 114.519 -320.294 PRESSAVG: 3810000 -6.87977 -20.6251 8.98465 -20.6251 -4.55198 6.49256 8.98468 6.49255 -21.4276 GPRESSAVG: 3810000 -6.71197 -21.9689 7.66841 -18.5654 -4.03343 8.22144 9.21234 4.48667 -21.5195 TIMING: 3810000 CPU: 12102.8, 0.00314721/step Wall: 12102.8, 0.00314721/step, 1.04033 hours remaining, 241.058594 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: 3810000 4025.2610 20613.9161 14509.2002 253.9980 -203631.7127 2675.1678 0.0000 0.0000 51905.9371 -109648.2323 298.3041 -161554.1694 -109284.1098 298.9144 -315.7299 -284.9558 763424.3807 -10.9531 -10.7550 PRESSURE: 3810200 117.778 -9.51358 -46.5456 -9.51335 84.2881 90.7506 -46.5463 90.751 140.86 GPRESSURE: 3810200 183.166 85.8066 -99.0236 118.248 64.8835 203.464 -31.1136 -45.1293 165.432 PRESSAVG: 3810200 -35.5226 -18.2335 -3.87129 -18.2335 14.6498 27.5912 -3.87133 27.5911 11.9266 GPRESSAVG: 3810200 -34.2279 -17.566 -4.9466 -17.2602 14.3284 28.9841 -3.35659 26.4628 10.9179 TIMING: 3810200 CPU: 12103.5, 0.00312613/step Wall: 12103.5, 0.00312613/step, 1.03319 hours remaining, 241.058594 MB of memory in use. ENERGY: 3810200 3946.5636 20555.7864 14604.8794 232.8170 -204077.2069 3100.9956 0.0000 0.0000 51992.8075 -109643.3574 298.8034 -161636.1649 -109286.6402 299.1968 114.3087 137.8272 762640.8874 -2.9821 -2.9939 PRESSURE: 3810400 132.093 -51.5138 216.862 -51.5147 -190.154 -23.9203 216.861 -23.9213 -231.424 GPRESSURE: 3810400 160.712 56.2708 187.302 -102.677 -170.241 96.3843 124.719 -21.4335 -199.898 PRESSAVG: 3810400 3.16256 -18.3244 -15.6322 -18.3244 -1.013 58.9284 -15.6323 58.9284 8.42908 GPRESSAVG: 3810400 2.38308 -18.3924 -15.3799 -21.9056 -1.74414 59.218 -15.6475 60.3637 10.5586 TIMING: 3810400 CPU: 12104.1, 0.00313819/step Wall: 12104.1, 0.00313819/step, 1.037 hours remaining, 241.058594 MB of memory in use. ENERGY: 3810400 4047.1864 20525.2677 14554.0774 265.5168 -203771.7978 2788.1352 0.0000 0.0000 51946.8710 -109644.7433 298.5394 -161591.6143 -109278.6645 299.4723 -96.4948 -69.8092 761508.5336 3.5262 3.7325 PRESSURE: 3810600 -246.74 80.7895 456.243 80.7889 -55.9207 52.6691 456.242 52.6695 99.6095 GPRESSURE: 3810600 -216.979 129.167 513.278 133.961 1.35244 -31.3579 428.132 39.4008 91.685 PRESSAVG: 3810600 -11.8947 -27.8675 -67.864 -27.8675 12.9268 -29.2905 -67.864 -29.2905 5.65507 GPRESSAVG: 3810600 -10.7633 -29.7111 -67.001 -26.2663 12.9522 -30.6081 -68.6532 -29.9062 4.4363 TIMING: 3810600 CPU: 12104.7, 0.0031343/step Wall: 12104.7, 0.0031343/step, 1.03554 hours remaining, 241.058594 MB of memory in use. ENERGY: 3810600 4030.0085 20538.3286 14495.1819 258.7147 -203450.3640 2611.1604 0.0000 0.0000 51826.7789 -109690.1910 297.8492 -161516.9699 -109340.2755 298.8433 -67.6838 -41.3137 760496.8503 2.2290 2.2084 PRESSURE: 3810800 132.101 -117.502 3.37523 -117.503 74.303 44.1918 3.37475 44.1936 -63.096 GPRESSURE: 3810800 191.257 -136.365 -112.605 -142.325 105.455 58.1576 -7.17229 91.8276 -62.164 PRESSAVG: 3810800 8.32621 -97.0712 -25.1643 -97.0712 -3.86349 23.9501 -25.1643 23.95 -2.64411 GPRESSAVG: 3810800 6.69068 -94.5809 -25.3442 -98.0192 -3.37069 23.6189 -24.0049 23.5801 -1.75041 TIMING: 3810800 CPU: 12105.4, 0.00316561/step Wall: 12105.4, 0.00316561/step, 1.04571 hours remaining, 241.058594 MB of memory in use. ENERGY: 3810800 3914.4844 20572.9534 14465.3824 239.6384 -203259.0292 2430.0180 0.0000 0.0000 52085.5434 -109551.0092 299.3363 -161636.5526 -109184.0287 298.9913 47.7695 78.1826 761296.2709 0.6062 0.5232 PRESSURE: 3811000 362.872 200.395 -152.493 200.395 151.667 -89.5852 -152.494 -89.5859 181.235 GPRESSURE: 3811000 364.583 93.4869 -157.513 79.5116 149.755 -99.7951 -139.592 -104.728 242.588 PRESSAVG: 3811000 26.1666 -41.0048 -20.8852 -41.0048 -4.46421 46.2189 -20.8853 46.2188 -7.33863 GPRESSAVG: 3811000 25.9785 -41.9065 -20.9237 -39.3587 -3.6064 45.7797 -21.2742 47.0583 -8.27397 TIMING: 3811000 CPU: 12106, 0.00312825/step Wall: 12106, 0.00312825/step, 1.03319 hours remaining, 241.058594 MB of memory in use. ENERGY: 3811000 3935.7362 20575.1874 14545.6157 264.4663 -203520.8700 2736.3744 0.0000 0.0000 52173.6820 -109289.8079 299.8429 -161463.4900 -108923.9448 299.6541 231.9244 252.3088 760960.3812 4.7879 4.6994 PRESSURE: 3811200 -51.088 -124.82 -5.78946 -124.819 -251.219 -24.6926 -5.78953 -24.6925 59.7594 GPRESSURE: 3811200 -38.587 -69.7009 -33.8365 9.16803 -232.293 -18.3792 81.4134 66.4246 115.543 PRESSAVG: 3811200 31.8937 -14.7646 37.9028 -14.7647 -46.0797 -29.0179 37.9028 -29.018 -3.45134 GPRESSAVG: 3811200 32.2409 -16.345 37.6489 -13.8511 -47.2926 -30.2904 39.4007 -29.4349 -2.86804 TIMING: 3811200 CPU: 12106.6, 0.00314695/step Wall: 12106.6, 0.00314695/step, 1.03919 hours remaining, 241.058594 MB of memory in use. ENERGY: 3811200 4000.7932 20572.6537 14503.0101 233.8544 -203571.3487 2744.3966 0.0000 0.0000 52163.6985 -109352.9422 299.7855 -161516.6407 -108988.9735 299.4557 -80.8493 -51.7792 762119.0856 -5.8791 -5.9733 PRESSURE: 3811400 -30.7527 -53.1323 -66.6604 -53.1313 -8.91183 97.1815 -66.6609 97.1826 -208.021 GPRESSURE: 3811400 27.2395 -30.7504 -23.0547 -98.1902 11.889 53.2409 20.6277 137.802 -208.052 PRESSAVG: 3811400 46.3354 -2.9291 -9.13593 -2.92914 -45.7852 6.61583 -9.13588 6.61577 25.2579 GPRESSAVG: 3811400 47.4101 -1.4724 -8.7485 -4.89709 -45.7703 5.73959 -9.26267 6.69184 23.5611 TIMING: 3811400 CPU: 12107.2, 0.00312485/step Wall: 12107.2, 0.00312485/step, 1.03172 hours remaining, 241.058594 MB of memory in use. ENERGY: 3811400 3965.8049 20600.8164 14528.7042 244.8913 -203737.2913 2872.6408 0.0000 0.0000 52119.6932 -109404.7405 299.5326 -161524.4337 -109043.3594 299.7959 -82.5620 -56.3079 762557.4160 8.6027 8.4003 PRESSURE: 3811600 87.0477 -49.8851 -67.3291 -49.8851 56.0286 -239.541 -67.33 -239.541 -85.1007 GPRESSURE: 3811600 172.039 -98.0901 10.6916 3.74416 62.9314 -298.272 -25.4939 -219.034 -93.9447 PRESSAVG: 3811600 9.02699 -7.82112 32.5709 -7.82109 8.8785 -3.1727 32.5709 -3.17267 13.9206 GPRESSAVG: 3811600 8.40534 -6.57923 31.9964 -8.29125 8.58641 -0.334809 33.1305 -2.91767 14.744 TIMING: 3811600 CPU: 12107.9, 0.00314016/step Wall: 12107.9, 0.00314016/step, 1.0366 hours remaining, 241.058594 MB of memory in use. ENERGY: 3811600 3982.0026 20758.3855 14418.6663 244.9541 -203555.3820 2622.2576 0.0000 0.0000 52186.9504 -109342.1656 299.9191 -161529.1160 -108973.5566 300.0134 19.3252 47.0087 762673.8967 10.6087 10.5786 PRESSURE: 3811800 242.827 43.4569 -161.831 43.4574 74.6038 -131.674 -161.832 -131.674 -4.71612 GPRESSURE: 3811800 371.703 45.1158 -245.171 45.0211 60.6138 -122.934 -73.6847 -107.187 -35.7461 PRESSAVG: 3811800 42.009 -15.382 7.56375 -15.3819 -45.8386 -72.3389 7.56375 -72.3389 -22.3976 GPRESSAVG: 3811800 41.0954 -17.6072 7.71787 -13.5675 -45.6051 -72.385 6.55863 -73.6078 -21.6436 TIMING: 3811800 CPU: 12108.5, 0.00314096/step Wall: 12108.5, 0.00314096/step, 1.03669 hours remaining, 241.058594 MB of memory in use. ENERGY: 3811800 3985.6822 20575.0221 14500.4958 240.1164 -203802.1133 2997.7079 0.0000 0.0000 52116.6020 -109386.4870 299.5148 -161503.0890 -109025.1158 299.5955 104.2383 132.1901 762414.1043 -8.7424 -8.7178 PRESSURE: 3812000 249.182 -62.3255 -41.97 -62.3252 19.9756 -136.303 -41.9698 -136.302 -535.84 GPRESSURE: 3812000 338.783 -155.359 -46.5672 -116.042 -23.9581 -68.254 -37.0221 -153.579 -496.835 PRESSAVG: 3812000 43.4144 -56.2477 4.81116 -56.2477 -18.487 -37.7574 4.81118 -37.7575 11.5991 GPRESSAVG: 3812000 43.8498 -57.4988 5.37829 -56.0766 -18.899 -37.0665 3.89442 -38.0027 11.7363 TIMING: 3812000 CPU: 12109.1, 0.00315044/step Wall: 12109.1, 0.00315044/step, 1.03964 hours remaining, 241.058594 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: 3812000 4030.4861 20408.5383 14606.2967 276.1595 -203381.4794 2642.7216 0.0000 0.0000 51945.3508 -109471.9264 298.5306 -161417.2772 -109101.0677 298.9423 -88.8942 -60.6701 762673.8472 12.1755 12.2290 PRESSURE: 3812200 227.889 -120.492 -22.2217 -120.493 29.6256 -123.1 -22.2202 -123.099 236.37 GPRESSURE: 3812200 311.65 -148.979 -32.474 -40.2059 109.862 -164.287 117.095 -93.2763 171.604 PRESSAVG: 3812200 49.0304 -49.0942 -13.1484 -49.0941 -57.1416 -47.2621 -13.1484 -47.2622 -29.0952 GPRESSAVG: 3812200 47.8704 -46.0799 -12.6895 -49.1517 -56.6477 -48.1768 -12.5623 -46.2504 -28.8228 TIMING: 3812200 CPU: 12109.8, 0.00313309/step Wall: 12109.8, 0.00313309/step, 1.03375 hours remaining, 241.058594 MB of memory in use. ENERGY: 3812200 3996.0080 20473.7315 14514.7799 255.0470 -203688.7174 2845.5836 0.0000 0.0000 52022.4407 -109581.1266 298.9737 -161603.5674 -109232.1685 298.4734 164.6280 197.7051 761714.8716 -12.4021 -12.5334 LDB: ============= START OF LOAD BALANCING ============== 12122.2 LDB: ============== END OF LOAD BALANCING =============== 12122.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.2 LDB: ============= START OF LOAD BALANCING ============== 12122.5 LDB: Largest compute 7072 load 0.032893 is 16.8% of average load 0.195364 LDB: Average compute 0.004377 is 2.2% of average load 0.195364 LDB: TIME 12122.5 LOAD: AVG 0.195364 MAX 0.216407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.082 MB LDB: TIME 12122.5 LOAD: AVG 0.195364 MAX 0.216407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: TIME 12122.5 LOAD: AVG 0.195364 MAX 0.216407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: ============== END OF LOAD BALANCING =============== 12122.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.5 PRESSURE: 3812400 -212.548 210.362 22.1 210.362 -85.3993 138.378 22.1008 138.378 140.044 GPRESSURE: 3812400 -149.135 95.8928 42.0814 284.182 -81.4331 146.593 -18.2971 235.016 147.602 PRESSAVG: 3812400 3.52192 4.31174 37.0702 4.31165 -38.2319 -60.4273 37.0703 -60.4272 -4.77611 GPRESSAVG: 3812400 4.00146 1.75762 35.4341 3.88858 -38.5258 -60.855 36.6191 -60.1273 -5.00211 TIMING: 3812400 CPU: 12110.4, 0.00318704/step Wall: 12110.4, 0.00318704/step, 1.05137 hours remaining, 239.835938 MB of memory in use. ENERGY: 3812400 3948.2144 20478.0515 14451.5695 242.9971 -202920.7156 2290.1195 0.0000 0.0000 51913.9362 -109595.8275 298.3501 -161509.7637 -109226.1445 298.6531 -52.6344 -27.6554 763983.8662 -13.1620 -13.1755 PRESSURE: 3812600 -59.6004 -224.321 -325.509 -224.321 -82.586 -10.4373 -325.509 -10.436 75.4201 GPRESSURE: 3812600 -24.5449 -181.734 -403.253 -158.895 -62.3738 -77.8797 -274.299 -15.7502 98.9725 PRESSAVG: 3812600 0.181209 -73.1401 4.67423 -73.1401 20.6467 22.6077 4.6743 22.6077 -11.819 GPRESSAVG: 3812600 1.21037 -68.5927 4.88911 -72.8127 21.826 24.3825 4.51006 20.7201 -13.5961 TIMING: 3812600 CPU: 12111, 0.00311099/step Wall: 12111, 0.00311099/step, 1.02611 hours remaining, 240.039062 MB of memory in use. ENERGY: 3812600 3954.1037 20635.5163 14554.8877 237.2833 -203573.6279 2791.3412 0.0000 0.0000 51898.8868 -109501.6090 298.2636 -161400.4958 -109150.3884 298.9966 -22.2554 4.0179 759900.0158 3.0030 3.1468 PRESSURE: 3812800 -38.5781 -351.465 318.896 -351.465 -176.205 -146.926 318.896 -146.926 38.8486 GPRESSURE: 3812800 -14.1569 -357.109 305.064 -486.608 -94.7956 -82.6601 354.048 -140.883 33.75 PRESSAVG: 3812800 -79.0133 -24.5788 6.31022 -24.5789 88.0957 10.4418 6.31024 10.4418 0.529393 GPRESSAVG: 3812800 -79.6038 -26.4353 6.79402 -27.4522 87.8498 7.26364 6.85008 11.5015 1.80962 TIMING: 3812800 CPU: 12111.6, 0.00313614/step Wall: 12111.6, 0.00313614/step, 1.03423 hours remaining, 240.039062 MB of memory in use. ENERGY: 3812800 3957.2955 20415.3718 14545.1506 252.8393 -203273.9951 2599.7196 0.0000 0.0000 51992.2799 -109511.3384 298.8003 -161503.6183 -109153.9562 299.3569 -58.6448 -25.0675 762100.8389 3.2039 3.3519 PRESSURE: 3813000 -386.207 38.0121 188.255 38.0131 -35.5354 -47.385 188.255 -47.3846 288.062 GPRESSURE: 3813000 -340.386 76.2188 144.721 37.109 81.0467 -50.9241 217.72 -91.1911 205.181 PRESSAVG: 3813000 -41.1163 9.81392 -26.1375 9.81388 44.1901 18.2421 -26.1375 18.2422 27.0987 GPRESSAVG: 3813000 -41.5367 9.13168 -25.6952 11.8914 44.9089 19.9161 -27.0007 18.3922 26.6126 TIMING: 3813000 CPU: 12112.3, 0.00312306/step Wall: 12112.3, 0.00312306/step, 1.02974 hours remaining, 240.039062 MB of memory in use. ENERGY: 3813000 3970.8626 20481.4533 14567.5636 261.1228 -203660.0823 2685.6071 0.0000 0.0000 52297.6671 -109395.8057 300.5554 -161693.4729 -109037.2414 299.6631 -44.5600 -18.0528 760386.6194 10.0575 9.9949 PRESSURE: 3813200 -105.044 -258.774 -57.3711 -258.774 383.445 -23.9519 -57.3717 -23.9511 61.2187 GPRESSURE: 3813200 -51.2159 -229.079 -49.5224 -155.417 348.073 -75.3836 -39.0482 44.282 125.345 PRESSAVG: 3813200 -50.6778 -19.8154 25.6372 -19.8154 29.3542 19.0014 25.6371 19.0014 -10.4068 GPRESSAVG: 3813200 -49.5594 -21.9609 25.5675 -18.3401 26.9986 18.299 26.5737 17.9417 -9.57303 TIMING: 3813200 CPU: 12112.9, 0.00314495/step Wall: 12112.9, 0.00314495/step, 1.03679 hours remaining, 240.039062 MB of memory in use. ENERGY: 3813200 3993.8665 20470.7587 14701.0475 230.6933 -204088.1393 3193.5740 0.0000 0.0000 52131.6179 -109366.5813 299.6011 -161498.1993 -109009.8865 299.8709 113.2067 140.7343 759956.3618 -10.5768 -10.7113 PRESSURE: 3813400 19.0164 23.6687 44.669 23.6683 47.7208 249.259 44.6707 249.258 -34.3801 GPRESSURE: 3813400 -55.3966 76.5397 6.67728 84.2688 108.736 284.664 96.4907 196.285 75.9459 PRESSAVG: 3813400 -29.6565 -29.5936 3.33154 -29.5936 29.6066 18.5238 3.33151 18.5238 -15.7053 GPRESSAVG: 3813400 -31.4498 -30.3634 2.30957 -28.4592 29.8196 17.5859 2.03666 19.0845 -14.0173 TIMING: 3813400 CPU: 12113.5, 0.00317166/step Wall: 12113.5, 0.00317166/step, 1.04541 hours remaining, 240.039062 MB of memory in use. ENERGY: 3813400 3909.3546 20427.2340 14521.7694 243.5815 -203068.8719 2320.1790 0.0000 0.0000 52120.5568 -109526.1966 299.5376 -161646.7534 -109165.8835 299.2519 10.7857 43.0950 759728.7558 -5.2518 -5.2158 PRESSURE: 3813600 -366.04 -176.47 198.211 -176.47 -630.22 -81.4197 198.211 -81.4197 -43.036 GPRESSURE: 3813600 -356.136 -138.284 151.336 -142.387 -526.459 -124.291 205.473 13.6517 -74.036 PRESSAVG: 3813600 -12.7388 -31.9543 31.6161 -31.9543 24.5463 15.2593 31.616 15.2593 5.62187 GPRESSAVG: 3813600 -10.552 -31.1174 31.9419 -34.3247 23.8386 16.6657 33.6431 14.8635 4.16303 TIMING: 3813600 CPU: 12114.2, 0.00315506/step Wall: 12114.2, 0.00315506/step, 1.03977 hours remaining, 240.039062 MB of memory in use. ENERGY: 3813600 3992.8116 20360.6898 14519.3877 258.2976 -202932.1576 2191.3591 0.0000 0.0000 52098.5530 -109511.0589 299.4111 -161609.6119 -109151.6249 299.0012 -346.4320 -318.8771 762127.2425 5.8098 5.8165 PRESSURE: 3813800 -169.009 -48.923 355.871 -48.9232 -159.35 -185.415 355.871 -185.414 431.918 GPRESSURE: 3813800 -153.84 -4.75217 398.787 -92.2424 -67.9216 -206.392 171.815 37.094 418.991 PRESSAVG: 3813800 2.73651 -13.9017 -5.93751 -13.9017 0.580408 -50.9057 -5.93751 -50.9057 4.93023 GPRESSAVG: 3813800 0.560805 -12.5949 -6.22029 -12.9642 2.41788 -52.1085 -7.54272 -47.1152 4.69937 TIMING: 3813800 CPU: 12114.8, 0.00317411/step Wall: 12114.8, 0.00317411/step, 1.04587 hours remaining, 240.039062 MB of memory in use. ENERGY: 3813800 3987.3925 20391.5749 14611.2505 237.7097 -203170.5008 2636.8043 0.0000 0.0000 52180.8758 -109124.8931 299.8842 -161305.7689 -108762.2163 299.3699 34.5199 65.7433 762907.2865 2.7490 2.5594 PRESSURE: 3814000 -159.397 -20.2252 3.94085 -20.2245 -216.827 -21.6702 3.9422 -21.6701 87.4437 GPRESSURE: 3814000 -115.966 75.329 74.2653 -47.8153 -184.223 27.8621 -21.793 -46.773 95.5782 PRESSAVG: 3814000 20.7206 -32.8711 13.3986 -32.8711 -39.2841 28.0449 13.3986 28.0449 4.29646 GPRESSAVG: 3814000 20.9653 -34.231 15.2546 -35.0329 -39.9465 30.3952 13.68 23.0919 4.12991 TIMING: 3814000 CPU: 12115.4, 0.00314026/step Wall: 12115.4, 0.00314026/step, 1.03454 hours remaining, 240.039062 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: 3814000 3965.9776 20343.7421 14551.6252 251.5100 -203102.8008 2523.3414 0.0000 0.0000 52527.3016 -108939.3027 301.8751 -161466.6043 -108562.1094 300.1748 -96.2604 -68.2039 763928.3820 -4.7557 -4.9504 PRESSURE: 3814200 -209.385 -70.9746 -203.969 -70.9746 -94.8113 29.1182 -203.969 29.1176 -149.503 GPRESSURE: 3814200 -193.604 -25.9689 -251.007 -42.5921 -39.5011 -73.5132 -178.314 16.0256 -119.81 PRESSAVG: 3814200 -5.12908 -41.3674 16.6728 -41.3675 -24.414 44.6065 16.6728 44.6065 10.4213 GPRESSAVG: 3814200 -3.7264 -39.8902 16.8427 -40.1911 -24.4238 44.2976 15.1954 45.8424 9.21804 TIMING: 3814200 CPU: 12116, 0.00315161/step Wall: 12116, 0.00315161/step, 1.0381 hours remaining, 240.039062 MB of memory in use. ENERGY: 3814200 3950.8364 20588.7194 14534.0288 244.9006 -203036.0575 2741.0644 0.0000 0.0000 52028.4891 -108948.0187 299.0084 -160976.5078 -108590.0007 300.8899 -151.2332 -117.6383 762598.2948 -6.3739 -6.3107 PRESSURE: 3814400 -300.241 257.962 -53.6333 257.963 275.473 126.312 -53.6327 126.313 -323.076 GPRESSURE: 3814400 -148.599 230.166 32.8415 161.599 192.252 133.289 -203.541 73.5725 -303.068 PRESSAVG: 3814400 -41.4411 13.1363 0.278401 13.1363 -14.1802 -14.4283 0.278352 -14.4282 2.64638 GPRESSAVG: 3814400 -42.0213 9.90953 -0.0564749 14.0941 -15.0165 -15.3725 1.71475 -13.3613 4.42808 TIMING: 3814400 CPU: 12116.7, 0.00316735/step Wall: 12116.7, 0.00316735/step, 1.04312 hours remaining, 240.039062 MB of memory in use. ENERGY: 3814400 3942.3684 20691.7459 14496.9898 254.4630 -202994.0330 2533.9063 0.0000 0.0000 52136.6979 -108937.8617 299.6303 -161074.5596 -108586.3591 300.2524 -115.9483 -86.4716 763011.6839 -17.6583 -17.5366 PRESSURE: 3814600 -169.159 316.341 228.492 316.341 188.817 -160.679 228.493 -160.677 -114.616 GPRESSURE: 3814600 -201.029 236.986 216.656 306.766 261.245 -216 184.296 -285.745 -74.8544 PRESSAVG: 3814600 -29.2404 9.84843 12.5762 9.84848 5.79879 -31.6582 12.5762 -31.6582 7.22007 GPRESSAVG: 3814600 -30.0745 12.5655 12.4058 8.82517 6.02408 -31.2425 13.1641 -34.1619 7.30084 TIMING: 3814600 CPU: 12117.3, 0.00317409/step Wall: 12117.3, 0.00317409/step, 1.04516 hours remaining, 240.039062 MB of memory in use. ENERGY: 3814600 4011.8286 20700.0569 14425.6863 244.4887 -203254.9084 2547.6555 0.0000 0.0000 52331.2767 -108993.9156 300.7486 -161325.1924 -108628.0520 300.5969 -31.6528 -4.8797 762024.1508 -5.4072 -5.5832 PRESSURE: 3814800 112.66 -170.217 229.655 -170.217 -260.2 -86.5543 229.654 -86.5552 6.34604 GPRESSURE: 3814800 139.279 -120.307 173.981 -211.415 -219.601 -68.6389 91.4148 -132.43 37.0714 PRESSAVG: 3814800 42.3515 -8.85509 55.9811 -8.85514 -9.97391 -56.5001 55.9811 -56.5001 -12.0015 GPRESSAVG: 3814800 41.5566 -11.4409 55.1536 -8.36832 -9.94977 -56.6508 55.2877 -54.9582 -11.2321 TIMING: 3814800 CPU: 12118, 0.00318862/step Wall: 12118, 0.00318862/step, 1.04976 hours remaining, 240.039062 MB of memory in use. ENERGY: 3814800 4010.4821 20490.9351 14467.0995 241.3899 -203383.6306 2828.6818 0.0000 0.0000 52161.6487 -109183.3935 299.7737 -161345.0422 -108814.6861 300.0571 -47.0647 -14.4166 761824.1455 6.7920 6.7916 PRESSURE: 3815000 -251.753 -84.6247 167.904 -84.625 -258.576 40.709 167.904 40.7089 -91.0399 GPRESSURE: 3815000 -157.442 -149.496 154.87 -33.2534 -232.959 73.702 66.6849 65.2696 -130.305 PRESSAVG: 3815000 -8.30898 -0.648411 17.2358 -0.648393 37.6965 -7.3271 17.2359 -7.3271 -18.7469 GPRESSAVG: 3815000 -6.45473 -0.741723 17.5952 -1.35294 36.909 -4.70417 16.8657 -8.1755 -19.8955 TIMING: 3815000 CPU: 12118.6, 0.00317149/step Wall: 12118.6, 0.00317149/step, 1.04395 hours remaining, 240.039062 MB of memory in use. ENERGY: 3815000 3982.9978 20574.2505 14459.1335 237.9130 -203308.3588 2670.7154 0.0000 0.0000 52255.9955 -109127.3530 300.3159 -161383.3484 -108757.3901 300.1821 -200.4563 -173.5687 762839.4474 3.5469 3.5196 PRESSURE: 3815200 120.018 69.6432 -5.20393 69.643 -178.055 -115.73 -5.20433 -115.731 -89.0506 GPRESSURE: 3815200 103.463 25.8622 19.0742 -16.7543 -56.7178 -210.408 108.753 -23.3803 -98.2731 PRESSAVG: 3815200 57.1384 -28.2007 14.9187 -28.2007 -17.936 40.5603 14.9186 40.5604 -7.89134 GPRESSAVG: 3815200 56.1415 -24.883 12.9131 -28.1382 -17.4939 39.4046 17.1177 41.0484 -7.30767 TIMING: 3815200 CPU: 12119.2, 0.00318057/step Wall: 12119.2, 0.00318057/step, 1.04676 hours remaining, 240.039062 MB of memory in use. ENERGY: 3815200 3959.8648 20586.0242 14500.0216 237.6234 -203051.0351 2504.5669 0.0000 0.0000 52024.5523 -109238.3820 298.9858 -161262.9343 -108875.1618 300.0538 -49.0293 -17.1761 761813.1838 10.4370 10.4466 PRESSURE: 3815400 -26.5979 47.738 -252.322 47.7376 138.338 -8.41784 -252.321 -8.41733 150.392 GPRESSURE: 3815400 18.2747 66.4838 -232.029 -19.0747 130.021 62.8283 -218.205 52.0508 194.562 PRESSAVG: 3815400 23.8911 -23.3883 -24.4968 -23.3884 -36.9696 33.4249 -24.4968 33.4249 -8.37564 GPRESSAVG: 3815400 23.4623 -24.7024 -22.3852 -24.5959 -35.9429 31.7427 -24.938 35.7285 -9.37884 TIMING: 3815400 CPU: 12119.9, 0.00314209/step Wall: 12119.9, 0.00314209/step, 1.03392 hours remaining, 240.039062 MB of memory in use. ENERGY: 3815400 3886.2042 20510.3023 14537.6843 255.1710 -202842.2720 2322.6643 0.0000 0.0000 52128.5821 -109201.6638 299.5837 -161330.2460 -108838.7345 299.8239 87.3774 114.2857 761145.5184 -7.1514 -7.2865 PRESSURE: 3815600 -49.3026 -224.979 -61.9581 -224.979 -123.629 106.585 -61.9583 106.585 104.466 GPRESSURE: 3815600 2.23977 -105.717 -64.9603 -246.649 -68.6453 32.2974 -15.5961 33.4458 87.13 PRESSAVG: 3815600 47.6602 -62.2957 14.9813 -62.2957 14.8231 -16.6368 14.9813 -16.6368 12.6108 GPRESSAVG: 3815600 48.183 -63.3561 15.0502 -60.5101 13.9138 -15.9988 13.8252 -17.7706 13.2495 TIMING: 3815600 CPU: 12120.5, 0.00316267/step Wall: 12120.5, 0.00316267/step, 1.04052 hours remaining, 240.039062 MB of memory in use. ENERGY: 3815600 4018.2601 20487.5508 14528.8198 260.7179 -203561.9713 2732.2465 0.0000 0.0000 52405.1891 -109129.1872 301.1733 -161534.3763 -108768.6677 299.8813 -22.8219 6.9082 759185.9747 25.0314 25.1154 PRESSURE: 3815800 37.7102 -13.8166 127.86 -13.8156 218.729 210.069 127.86 210.068 -156.617 GPRESSURE: 3815800 -16.2974 34.6497 106.49 38.1874 305.881 160.729 185.479 309.13 -109.716 PRESSAVG: 3815800 -5.52267 -31.6658 17.6338 -31.6658 8.52398 7.10968 17.6338 7.10959 7.35455 GPRESSAVG: 3815800 -5.7212 -30.5831 17.9369 -31.9984 9.31675 5.84389 18.2973 7.39685 7.05069 TIMING: 3815800 CPU: 12121.1, 0.00318704/step Wall: 12121.1, 0.00318704/step, 1.04836 hours remaining, 240.039062 MB of memory in use. ENERGY: 3815800 4028.8651 20647.3387 14572.3134 225.5140 -203217.8685 2661.8034 0.0000 0.0000 51840.4748 -109241.5591 297.9279 -161082.0338 -108886.4098 299.7753 33.2741 59.9560 760408.0045 3.4520 3.5487 PRESSURE: 3816000 -153.135 -71.8617 -12.7366 -71.862 -162.286 9.45141 -12.7375 9.45092 230.457 GPRESSURE: 3816000 -74.3056 -71.1326 -89.6725 -57.2134 -185.965 13.9884 -23.7351 47.6101 263.957 PRESSAVG: 3816000 -0.363806 -35.1287 57.5429 -35.1286 34.0372 14.5307 57.543 14.5307 -0.595905 GPRESSAVG: 3816000 -0.107636 -36.0055 56.2244 -33.5497 33.9849 14.2505 58.5108 12.8756 0.139548 TIMING: 3816000 CPU: 12121.8, 0.00320072/step Wall: 12121.8, 0.00320072/step, 1.05268 hours remaining, 240.039062 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: 3816000 3977.1665 20459.7760 14517.4949 251.3953 -203264.1240 2719.4584 0.0000 0.0000 52176.4757 -109162.3573 299.8589 -161338.8330 -108797.7927 299.5008 -28.3212 1.2289 761546.8045 11.0258 11.3390 PRESSURE: 3816200 -369.847 64.3829 30.9012 64.3837 -427.422 -16.7159 30.8998 -16.7169 50.0949 GPRESSURE: 3816200 -300.959 108.943 70.1525 -74.7101 -358.356 -36.7585 99.8832 -81.52 0.830071 PRESSAVG: 3816200 -22.3483 -14.6943 44.5374 -14.6943 35.4589 -23.6484 44.5374 -23.6484 -16.1446 GPRESSAVG: 3816200 -21.6002 -13.9307 45.0832 -14.833 34.73 -23.211 44.0153 -22.4979 -15.7346 TIMING: 3816200 CPU: 12122.4, 0.00319161/step Wall: 12122.4, 0.00319161/step, 1.04951 hours remaining, 240.039062 MB of memory in use. ENERGY: 3816200 3975.6559 20654.4989 14454.9901 245.0078 -203200.2527 2534.0896 0.0000 0.0000 52196.2100 -109139.8004 299.9723 -161336.0104 -108777.5323 300.1010 -249.0580 -219.4951 763331.4609 -1.0114 -0.8683 LDB: ============= START OF LOAD BALANCING ============== 12134.9 LDB: ============== END OF LOAD BALANCING =============== 12134.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12134.9 LDB: ============= START OF LOAD BALANCING ============== 12135.2 LDB: Largest compute 7047 load 0.033028 is 16.9% of average load 0.195364 LDB: Average compute 0.004386 is 2.2% of average load 0.195364 LDB: TIME 12135.2 LOAD: AVG 0.195364 MAX 0.212329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 12135.2 LOAD: AVG 0.195364 MAX 0.212329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: TIME 12135.2 LOAD: AVG 0.195364 MAX 0.212329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.586 MB LDB: ============== END OF LOAD BALANCING =============== 12135.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12135.2 PRESSURE: 3816400 -141.511 -48.8462 -118.559 -48.8466 -329.906 -175.9 -118.559 -175.9 267.795 GPRESSURE: 3816400 -93.4715 -75.4978 -47.5499 -98.6947 -253.335 -250.578 -199.11 -73.7119 233.443 PRESSAVG: 3816400 26.2587 -18.7322 4.96407 -18.7321 -25.9743 -46.6393 4.96405 -46.6392 13.3593 GPRESSAVG: 3816400 27.3321 -20.4525 4.92943 -19.4896 -26.1152 -46.1603 2.73405 -45.8947 12.7753 TIMING: 3816400 CPU: 12123, 0.0032262/step Wall: 12123, 0.0032262/step, 1.0607 hours remaining, 242.003906 MB of memory in use. ENERGY: 3816400 4002.5125 20492.2085 14501.4354 261.3791 -203218.3151 2453.4802 0.0000 0.0000 52265.7609 -109241.5387 300.3720 -161507.2996 -108873.5025 299.9453 -67.8742 -37.7881 761350.3087 4.5479 4.6641 PRESSURE: 3816600 -10.0544 -17.7537 -12.7325 -17.7538 -215.164 -105.268 -12.7317 -105.268 180.14 GPRESSURE: 3816600 109.132 73.3283 30.8796 0.251084 -211.671 -52.8148 -1.22439 -141.631 133.847 PRESSAVG: 3816600 46.0351 3.205 -12.9169 3.20493 -34.8098 13.2976 -12.9169 13.2976 5.69414 GPRESSAVG: 3816600 44.9093 6.62001 -13.6615 1.93332 -33.4983 12.5361 -10.2893 13.7234 5.55402 TIMING: 3816600 CPU: 12123.7, 0.00315873/step Wall: 12123.7, 0.00315873/step, 1.03835 hours remaining, 242.148438 MB of memory in use. ENERGY: 3816600 3819.8842 20515.6881 14396.5606 274.7880 -203250.7179 2500.0611 0.0000 0.0000 52089.2435 -109654.4925 299.3576 -161743.7360 -109289.8031 298.8241 -15.0262 10.4359 762225.7192 5.6398 5.6550 PRESSURE: 3816800 -105.513 -115.534 -5.10458 -115.534 173.898 178.074 -5.10507 178.074 -44.0003 GPRESSURE: 3816800 -33.1837 -83.9357 -42.5807 -286.606 118.244 132.854 163.9 88.3372 18.3917 PRESSAVG: 3816800 8.20637 -52.5617 -2.59019 -52.5617 -15.4587 -18.6079 -2.59025 -18.608 30.1681 GPRESSAVG: 3816800 8.78962 -53.5832 -1.35757 -52.3893 -15.6216 -18.1832 -3.27921 -21.3425 29.9954 TIMING: 3816800 CPU: 12124.3, 0.00317001/step Wall: 12124.3, 0.00317001/step, 1.04188 hours remaining, 242.148438 MB of memory in use. ENERGY: 3816800 3982.7754 20593.2792 14484.9431 258.1050 -203078.8326 2537.6636 0.0000 0.0000 51837.1348 -109384.9315 297.9087 -161222.0663 -109015.1533 298.5066 8.1282 34.4839 761117.8049 7.6386 7.7212 PRESSURE: 3817000 174.067 107.517 86.6006 107.517 -319.693 -129.882 86.6003 -129.881 166.409 GPRESSURE: 3817000 216.741 125.199 112.987 147.284 -247.887 -93.484 40.5212 73.0414 123.984 PRESSAVG: 3817000 26.5334 -42.4258 -4.11624 -42.4258 -8.53128 -32.3623 -4.11624 -32.3623 6.85194 GPRESSAVG: 3817000 27.0082 -43.474 -4.34573 -40.1706 -9.57889 -33.3318 -5.55126 -30.742 7.15234 TIMING: 3817000 CPU: 12124.9, 0.00317677/step Wall: 12124.9, 0.00317677/step, 1.04392 hours remaining, 242.148438 MB of memory in use. ENERGY: 3817000 3958.6844 20597.2288 14491.8431 252.4874 -203314.3138 2741.4215 0.0000 0.0000 51846.5482 -109426.1003 297.9628 -161272.6486 -109065.6245 299.1599 6.9276 30.9459 760839.2353 8.2847 8.1939 PRESSURE: 3817200 -147.693 -85.4836 -21.3363 -85.4828 -245.387 220.722 -21.3357 220.724 104.245 GPRESSURE: 3817200 -134.729 -71.6352 -33.0028 -56.4771 -160.515 263.966 -33.0022 114.635 108.618 PRESSAVG: 3817200 27.6145 -23.3657 13.9163 -23.3657 -33.9476 13.5343 13.9163 13.5344 -19.74 GPRESSAVG: 3817200 27.3135 -24.2703 13.6792 -23.4115 -33.1211 14.4347 14.4516 13.8266 -19.8658 TIMING: 3817200 CPU: 12125.6, 0.00317248/step Wall: 12125.6, 0.00317248/step, 1.04234 hours remaining, 242.148438 MB of memory in use. ENERGY: 3817200 4035.6244 20623.9234 14475.0467 226.1265 -203624.9028 2632.2290 0.0000 0.0000 52036.1113 -109595.8414 299.0522 -161631.9527 -109234.3807 299.0418 -96.2783 -62.2086 759724.2719 -8.6910 -8.5578 PRESSURE: 3817400 101.391 73.9059 120.432 73.9056 -431.236 -44.6208 120.433 -44.6221 16.719 GPRESSURE: 3817400 71.976 5.08913 131.561 212.128 -319.53 -77.9919 183.901 -40.9892 19.098 PRESSAVG: 3817400 70.4241 -9.18183 3.26433 -9.1819 -4.94214 -23.2034 3.26441 -23.2035 23.5639 GPRESSAVG: 3817400 69.8064 -7.24608 3.25955 -11.3409 -5.02283 -23.3492 4.20925 -24.1157 24.2257 TIMING: 3817400 CPU: 12126.2, 0.00318489/step Wall: 12126.2, 0.00318489/step, 1.04624 hours remaining, 242.148438 MB of memory in use. ENERGY: 3817400 3993.8699 20495.6417 14472.7506 249.0344 -203690.2570 2828.5169 0.0000 0.0000 52006.0043 -109644.4393 298.8792 -161650.4436 -109288.4574 298.9635 -104.3752 -76.1521 761049.6277 29.6819 29.6697 PRESSURE: 3817600 -102.447 -137.215 -82.1244 -137.214 251.986 -73.6083 -82.1239 -73.6085 -119.329 GPRESSURE: 3817600 -57.653 -148.519 -29.5036 -23.7851 226.269 -32.6744 -160.504 17.4211 -46.8648 PRESSAVG: 3817600 -7.89842 48.6075 -27.3561 48.6075 6.16094 -10.0168 -27.3562 -10.0168 21.5063 GPRESSAVG: 3817600 -7.23044 47.696 -26.2204 51.2855 5.95261 -11.3985 -27.6479 -8.41593 21.2555 TIMING: 3817600 CPU: 12126.9, 0.00317709/step Wall: 12126.9, 0.00317709/step, 1.0435 hours remaining, 242.148438 MB of memory in use. ENERGY: 3817600 4039.8479 20421.6144 14427.7391 235.5681 -203449.6752 2443.9926 0.0000 0.0000 52080.8940 -109800.0191 299.3096 -161880.9131 -109433.6973 298.8325 10.0699 40.5838 760687.5971 6.5896 6.6592 PRESSURE: 3817800 -242.068 -163.819 -30.3197 -163.819 4.80903 170.784 -30.3196 170.784 147.87 GPRESSURE: 3817800 -202.861 -119.471 2.59379 -168.382 59.837 222.169 -130.476 227.779 142.265 PRESSAVG: 3817800 55.9125 13.9175 113.299 13.9176 -51.1727 48.1644 113.299 48.1645 4.12217 GPRESSAVG: 3817800 54.6325 12.6655 112.569 11.2046 -50.2067 49.7804 111.821 48.5806 4.30194 TIMING: 3817800 CPU: 12127.5, 0.00316323/step Wall: 12127.5, 0.00316323/step, 1.03877 hours remaining, 242.148438 MB of memory in use. ENERGY: 3817800 4011.3841 20467.4134 14561.6161 230.2743 -203698.1888 2548.7246 0.0000 0.0000 51972.8227 -109905.9536 298.6885 -161878.7763 -109545.8591 298.3172 -29.7965 -0.2531 761429.0562 2.9540 2.9092 PRESSURE: 3818000 -303.247 -132.508 301.678 -132.508 -47.279 185.304 301.678 185.304 -126.089 GPRESSURE: 3818000 -314.234 -145.787 194.142 -113.998 35.6042 276.496 375.918 143.968 -124.122 PRESSAVG: 3818000 -26.3687 -52.1342 40.8317 -52.1343 -24.5003 -7.85528 40.8317 -7.85528 -10.0506 GPRESSAVG: 3818000 -25.4717 -50.6071 38.696 -50.4827 -25.3842 -7.24016 42.4051 -11.1037 -10.0113 TIMING: 3818000 CPU: 12128.1, 0.00315115/step Wall: 12128.1, 0.00315115/step, 1.03463 hours remaining, 242.148438 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: 3818000 3889.6085 20710.9498 14417.5837 241.8926 -203530.9902 2409.2331 0.0000 0.0000 52001.2815 -109860.4410 298.8521 -161861.7225 -109486.3575 298.7277 -158.8716 -134.2506 761226.1830 -20.3066 -20.2891 PRESSURE: 3818200 -228.677 123.184 -7.66601 123.184 6.83483 -24.4276 -7.66539 -24.4285 91.2335 GPRESSURE: 3818200 -83.4778 93.0341 143.44 46.3576 -22.398 -25.9217 -12.3276 -98.21 52.3071 PRESSAVG: 3818200 26.1552 -17.0734 32.9865 -17.0735 -11.3532 14.9846 32.9866 14.9845 14.0886 GPRESSAVG: 3818200 24.8337 -17.3161 35.4363 -15.9959 -10.4779 14.4203 33.007 17.1729 14.7338 TIMING: 3818200 CPU: 12128.7, 0.00314895/step Wall: 12128.7, 0.00314895/step, 1.03373 hours remaining, 242.148438 MB of memory in use. ENERGY: 3818200 3999.6214 20509.0584 14420.7303 260.2255 -203820.8551 2731.1778 0.0000 0.0000 51962.5787 -109937.4631 298.6297 -161900.0418 -109581.9797 298.9218 -43.5363 -17.8562 760252.2982 9.6302 9.6965 PRESSURE: 3818400 -83.7815 -148.72 50.5642 -148.72 -160.252 204.238 50.5644 204.238 -141.058 GPRESSURE: 3818400 -82.7902 4.50399 16.8584 -177.836 -94.6584 164.751 197.325 228.757 -143.155 PRESSAVG: 3818400 25.8953 -16.2439 8.35978 -16.2438 -30.5631 19.2171 8.35983 19.2172 2.26531 GPRESSAVG: 3818400 28.4271 -16.3263 7.88762 -16.0649 -30.7144 18.2784 8.67493 17.868 0.499138 TIMING: 3818400 CPU: 12129.4, 0.00317271/step Wall: 12129.4, 0.00317271/step, 1.04135 hours remaining, 242.148438 MB of memory in use. ENERGY: 3818400 4015.2712 20381.0093 14505.0030 244.6278 -203619.3991 2630.1474 0.0000 0.0000 51808.4250 -110034.9155 297.7437 -161843.3405 -109681.1534 298.4561 -128.3639 -106.8677 760892.6371 -0.8009 -0.5961 PRESSURE: 3818600 -50.0696 45.7212 0.333385 45.7219 -448.238 -73.1108 0.334048 -73.1099 115.825 GPRESSURE: 3818600 -124.104 -41.7531 0.843157 77.686 -234.348 -24.9955 168.214 6.13977 68.5098 PRESSAVG: 3818600 31.3266 4.09427 42.6787 4.09425 -3.95773 -4.91876 42.6787 -4.91871 -3.13952 GPRESSAVG: 3818600 29.0346 1.71283 43.5619 4.7674 -4.22808 -3.87154 42.5405 -2.74496 -0.778139 TIMING: 3818600 CPU: 12130, 0.00314489/step Wall: 12130, 0.00314489/step, 1.03205 hours remaining, 242.148438 MB of memory in use. ENERGY: 3818600 3916.1514 20457.3708 14493.9409 229.1041 -203451.6829 2557.3843 0.0000 0.0000 51842.6109 -109955.1205 297.9402 -161797.7314 -109590.7550 298.2607 -127.4941 -96.6474 761027.7312 8.0765 8.0095 PRESSURE: 3818800 175.136 -62.6929 232.856 -62.6934 51.5804 -3.15819 232.856 -3.15804 226.332 GPRESSURE: 3818800 230.181 -117.838 152.311 6.00242 38.75 -53.4969 166.831 -2.59494 259.52 PRESSAVG: 3818800 19.7051 -43.3227 6.26439 -43.3226 -28.0995 -6.08004 6.26437 -6.08009 -13.8168 GPRESSAVG: 3818800 18.6858 -44.3893 5.53117 -45.9479 -27.7632 -7.80842 6.01771 -6.2974 -12.8719 TIMING: 3818800 CPU: 12130.6, 0.00314452/step Wall: 12130.6, 0.00314452/step, 1.03175 hours remaining, 242.148438 MB of memory in use. ENERGY: 3818800 3864.5156 20343.3170 14505.6523 259.9713 -203729.9485 2919.4476 0.0000 0.0000 51998.2946 -109838.7500 298.8349 -161837.0446 -109477.2998 298.2401 151.0160 176.1502 761080.9301 -7.4037 -7.3164 PRESSURE: 3819000 -221.702 -1.27875 -178.437 -1.27853 -446.762 -23.198 -178.436 -23.1978 -258.837 GPRESSURE: 3819000 -192.973 -15.8185 -112.061 -19.6636 -421.406 -46.0448 -121.628 -36.182 -254.334 PRESSAVG: 3819000 18.2881 -86.4679 -16.6456 -86.4678 -29.4643 -16.1925 -16.6456 -16.1926 -9.12042 GPRESSAVG: 3819000 19.1986 -84.3293 -16.9023 -84.9131 -29.7821 -15.3248 -18.2012 -16.9169 -10.0925 TIMING: 3819000 CPU: 12131.3, 0.00316021/step Wall: 12131.3, 0.00316021/step, 1.03673 hours remaining, 242.148438 MB of memory in use. ENERGY: 3819000 4017.4116 20388.7461 14425.9042 243.8658 -203603.4755 2556.0193 0.0000 0.0000 52042.5262 -109929.0023 299.0891 -161971.5285 -109560.5640 298.1692 -309.1007 -289.5708 761445.7949 -6.7655 -6.8920 PRESSURE: 3819200 46.6896 -148.305 -74.2865 -148.304 66.315 129.434 -74.2863 129.435 -96.5672 GPRESSURE: 3819200 194.444 6.91022 -68.6878 -112.613 26.0513 24.8222 26.1653 32.4997 -124.047 PRESSAVG: 3819200 -6.88472 -56.6112 -21.3127 -56.6112 -20.4654 26.7648 -21.3128 26.765 9.30877 GPRESSAVG: 3819200 -5.52769 -57.122 -21.6477 -55.9253 -20.8177 27.3448 -20.9412 24.9671 8.82033 TIMING: 3819200 CPU: 12131.9, 0.00317631/step Wall: 12131.9, 0.00317631/step, 1.04183 hours remaining, 242.148438 MB of memory in use. ENERGY: 3819200 3977.6374 20412.9614 14457.4757 253.2925 -203679.8447 2630.0356 0.0000 0.0000 52124.8824 -109823.5597 299.5624 -161948.4422 -109452.3337 298.0846 5.4791 32.1495 760402.1068 -6.0138 -5.8417 PRESSURE: 3819400 -21.3358 51.6601 54.105 51.6596 504.025 -98.221 54.1051 -98.2214 168.165 GPRESSURE: 3819400 75.2069 -9.301 83.9221 -4.49495 470.458 -144.391 12.8366 -108.517 167.745 PRESSAVG: 3819400 54.5582 -55.6994 20.1202 -55.6995 -48.3295 -9.65463 20.1202 -9.6547 -5.44257 GPRESSAVG: 3819400 54.3159 -55.4067 21.2711 -57.5507 -48.0312 -8.74604 21.4588 -10.605 -5.44967 TIMING: 3819400 CPU: 12132.5, 0.00315391/step Wall: 12132.5, 0.00315391/step, 1.03431 hours remaining, 242.148438 MB of memory in use. ENERGY: 3819400 3981.3075 20608.6167 14564.0560 266.2228 -203861.1064 2814.8352 0.0000 0.0000 52102.0181 -109524.0502 299.4310 -161626.0683 -109175.9742 299.3666 216.9513 237.8032 758859.9241 0.2620 0.2783 PRESSURE: 3819600 -67.2799 -188.674 2.73233 -188.674 118.416 -83.4365 2.7307 -83.4366 -145.454 GPRESSURE: 3819600 -98.9722 -128.342 -16.1625 -153.445 216.437 -44.85 99.0369 -59.0914 -120.21 PRESSAVG: 3819600 64.4872 -20.9728 -0.414173 -20.9728 -44.4925 7.95689 -0.414203 7.95688 6.53294 GPRESSAVG: 3819600 64.8502 -20.3188 -2.48751 -20.7007 -43.5843 7.62241 1.67513 9.01726 4.96428 TIMING: 3819600 CPU: 12133.2, 0.00314915/step Wall: 12133.2, 0.00314915/step, 1.03257 hours remaining, 242.148438 MB of memory in use. ENERGY: 3819600 3987.8503 20684.8076 14482.7500 251.4015 -203414.2648 2421.8318 0.0000 0.0000 52041.7337 -109543.8900 299.0846 -161585.6237 -109183.1382 299.5434 -31.4394 -0.9150 759260.7624 8.8425 8.7434 PRESSURE: 3819800 -16.6865 -34.8404 -15.2711 -34.8397 -155.678 24.0549 -15.2711 24.0554 -63.6534 GPRESSURE: 3819800 -14.184 39.1669 -16.6824 43.6409 -153.532 -36.3843 -164.411 -22.9589 24.9887 PRESSAVG: 3819800 16.4217 -16.4171 -11.0753 -16.4171 2.1294 -39.0044 -11.0753 -39.0044 3.16578 GPRESSAVG: 3819800 15.7013 -15.4621 -10.4841 -15.648 1.08262 -39.1688 -12.3112 -37.3948 4.71225 TIMING: 3819800 CPU: 12133.8, 0.00315683/step Wall: 12133.8, 0.00315683/step, 1.03491 hours remaining, 242.148438 MB of memory in use. ENERGY: 3819800 4018.4349 20405.5433 14522.2990 254.3497 -203275.4299 2466.3271 0.0000 0.0000 52191.6422 -109416.8337 299.9461 -161608.4759 -109043.5112 299.4547 -78.6727 -47.5758 759305.8815 7.2390 7.1654 PRESSURE: 3820000 69.052 -175.062 30.7433 -175.063 -235.673 -14.233 30.7426 -14.2327 179.236 GPRESSURE: 3820000 64.6672 -120.099 -36.3273 -152.007 -182.951 -37.5203 -57.4637 -28.5121 211.718 PRESSAVG: 3820000 -17.0673 0.0986353 -21.2109 0.0986035 -16.2646 -7.90542 -21.2109 -7.9054 13.2001 GPRESSAVG: 3820000 -15.6055 -0.982645 -22.2202 -1.54453 -16.3084 -9.50122 -24.0135 -9.29702 11.3574 TIMING: 3820000 CPU: 12134.4, 0.0031736/step Wall: 12134.4, 0.0031736/step, 1.04023 hours remaining, 242.148438 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: 3820000 4034.4129 20521.2030 14502.6545 239.5083 -203390.9445 2657.8467 0.0000 0.0000 52046.3163 -109389.0028 299.1109 -161435.3191 -109026.6895 299.5250 4.2052 31.1447 761618.2416 -6.7106 -6.8522 PRESSURE: 3820200 73.3349 -26.3777 -79.0828 -26.3767 -152.283 86.7867 -79.0826 86.7855 -46.0215 GPRESSURE: 3820200 64.8025 -118.206 -67.3426 -82.2956 -72.1712 198.095 62.7861 -28.0925 -16.544 PRESSAVG: 3820200 58.6506 -83.1637 25.1718 -83.1638 -13.2631 24.8987 25.1718 24.8987 33.6649 GPRESSAVG: 3820200 57.4807 -83.5308 26.4934 -83.3085 -13.3828 27.0392 27.0655 24.4334 34.4707 TIMING: 3820200 CPU: 12135.1, 0.00314588/step Wall: 12135.1, 0.00314588/step, 1.03098 hours remaining, 242.148438 MB of memory in use. ENERGY: 3820200 3967.7027 20686.9048 14504.0717 233.9410 -203339.8635 2683.8232 0.0000 0.0000 52031.7464 -109231.6738 299.0272 -161263.4201 -108861.9769 299.5238 -41.6566 -7.9709 761315.0017 26.3508 26.1895 LDB: ============= START OF LOAD BALANCING ============== 12147.5 LDB: ============== END OF LOAD BALANCING =============== 12147.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.5 LDB: ============= START OF LOAD BALANCING ============== 12147.8 LDB: Largest compute 7072 load 0.035254 is 18.0% of average load 0.195433 LDB: Average compute 0.004381 is 2.2% of average load 0.195433 LDB: TIME 12147.8 LOAD: AVG 0.195433 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 12147.8 LOAD: AVG 0.195433 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: TIME 12147.8 LOAD: AVG 0.195433 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.695 MB LDB: ============== END OF LOAD BALANCING =============== 12147.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.8 PRESSURE: 3820400 -5.47096 159.691 117.491 159.692 -57.8234 147.467 117.491 147.467 272.666 GPRESSURE: 3820400 42.7455 86.0565 189.601 37.0408 -34.3552 150.69 84.6201 137.647 282.897 PRESSAVG: 3820400 17.5487 21.3739 -16.7933 21.3738 -34.3951 15.4031 -16.7932 15.4031 22.4296 GPRESSAVG: 3820400 17.6566 19.7131 -15.8141 21.1272 -34.3531 14.1496 -19.3407 18.1602 21.6049 TIMING: 3820400 CPU: 12135.7, 0.00325048/step Wall: 12135.7, 0.00325048/step, 1.06508 hours remaining, 243.035156 MB of memory in use. ENERGY: 3820400 3925.5469 20595.7158 14486.2514 248.0591 -202903.2478 2414.8562 0.0000 0.0000 52144.6149 -109088.2036 299.6758 -161232.8185 -108719.8512 300.1464 69.7906 97.0958 762143.1616 1.8610 1.6361 PRESSURE: 3820600 20.4316 302.711 -126.994 302.712 -57.6785 -66.5295 -126.994 -66.5294 -123.737 GPRESSURE: 3820600 113.919 353.138 -196.515 303.181 -45.0881 -110.669 -14.7769 -29.8872 -142.674 PRESSAVG: 3820600 52.8646 -17.0341 -10.0468 -17.0341 -55.354 15.2651 -10.0468 15.265 -7.6028 GPRESSAVG: 3820600 54.1539 -14.521 -11.6191 -14.851 -55.7044 14.8847 -8.04907 15.1724 -8.47512 TIMING: 3820600 CPU: 12136.3, 0.00314815/step Wall: 12136.3, 0.00314815/step, 1.03137 hours remaining, 243.238281 MB of memory in use. ENERGY: 3820600 3947.8776 20353.6497 14504.0376 258.0041 -202994.9815 2435.4360 0.0000 0.0000 52345.8573 -109150.1192 300.8324 -161495.9765 -108780.0769 300.2356 -53.6614 -24.6143 761794.1620 -3.3641 -3.3419 PRESSURE: 3820800 32.5568 108.28 -23.8574 108.28 -23.7206 -10.7879 -23.8576 -10.787 -383.572 GPRESSURE: 3820800 74.7379 114.06 -27.5465 40.8994 14.1749 -67.3265 25.6414 74.3191 -345.13 PRESSAVG: 3820800 29.3001 -42.2032 19.8372 -42.2032 -2.69316 -1.6071 19.8373 -1.60711 12.5113 GPRESSAVG: 3820800 28.2885 -42.0035 20.5875 -42.003 -2.73295 -0.971198 20.9375 -4.50463 13.668 TIMING: 3820800 CPU: 12137, 0.00317645/step Wall: 12137, 0.00317645/step, 1.04046 hours remaining, 243.238281 MB of memory in use. ENERGY: 3820800 4005.1009 20421.8707 14421.7349 238.7610 -203073.6445 2381.1011 0.0000 0.0000 52321.0666 -109284.0093 300.6899 -161605.0759 -108916.2770 299.8501 -124.9120 -85.4058 760924.3690 13.0394 13.0745 PRESSURE: 3821000 324.749 38.6645 -94.1308 38.6639 -399.056 54.0164 -94.1301 54.0177 -93.7148 GPRESSURE: 3821000 304.748 44.7929 -72.122 -31.9602 -349.896 141.232 -78.8457 135.617 -38.4164 PRESSAVG: 3821000 26.8434 -0.336315 -19.3151 -0.336337 -12.4185 -12.7601 -19.3151 -12.7602 -16.9743 GPRESSAVG: 3821000 25.1799 -0.710286 -19.7108 -4.05972 -10.722 -11.543 -20.6995 -10.79 -16.8859 TIMING: 3821000 CPU: 12137.6, 0.00319087/step Wall: 12137.6, 0.00319087/step, 1.04501 hours remaining, 243.238281 MB of memory in use. ENERGY: 3821000 3988.5335 20475.9444 14483.4167 263.0370 -203270.6361 2731.3648 0.0000 0.0000 52212.3432 -109115.9965 300.0651 -161328.3397 -108754.3029 299.7049 -56.0070 -27.8548 760839.2076 -0.8498 -0.8093 PRESSURE: 3821200 -110.683 -237.691 -29.0176 -237.691 70.2896 183.938 -29.0174 183.938 -14.3769 GPRESSURE: 3821200 -21.6682 -153.993 -49.1349 -181.061 11.2941 214.294 -51.6205 103.603 47.42 PRESSAVG: 3821200 25.4056 35.1094 -36.0973 35.1094 8.84577 5.435 -36.0973 5.43501 4.20772 GPRESSAVG: 3821200 26.5884 34.4184 -35.4689 36.31 7.16344 3.35105 -37.09 5.7141 4.59295 TIMING: 3821200 CPU: 12138.2, 0.00313635/step Wall: 12138.2, 0.00313635/step, 1.02698 hours remaining, 243.238281 MB of memory in use. ENERGY: 3821200 4073.6950 20493.5966 14440.1526 242.3592 -203351.8153 2677.1258 0.0000 0.0000 52239.9275 -109184.9585 300.2236 -161424.8860 -108822.9201 300.2680 -18.2568 12.3486 761385.3587 12.8197 12.7816 PRESSURE: 3821400 -16.5963 -48.6796 -6.73185 -48.6803 263.75 -172.694 -6.73171 -172.695 -115.321 GPRESSURE: 3821400 80.6379 -101.522 -20.7797 -28.2023 227.536 -173.35 -69.1216 -190.155 -95.3968 PRESSAVG: 3821400 9.95909 -7.13286 -2.4108 -7.13284 1.25779 -60.0665 -2.41077 -60.0666 -0.34258 GPRESSAVG: 3821400 10.6065 -7.02387 -3.0033 -6.37566 1.74757 -58.7713 -3.07171 -61.5182 -1.36354 TIMING: 3821400 CPU: 12138.9, 0.00315448/step Wall: 12138.9, 0.00315448/step, 1.03274 hours remaining, 243.238281 MB of memory in use. ENERGY: 3821400 4059.8826 20445.5357 14436.5832 259.4828 -203378.8181 2709.2019 0.0000 0.0000 52175.5275 -109292.6043 299.8535 -161468.1318 -108937.0054 299.9927 43.9442 70.9258 762322.9278 3.6248 3.6635 PRESSURE: 3821600 -52.7477 -118.305 -94.0112 -118.304 37.066 -58.0999 -94.0113 -58.1008 -193.739 GPRESSURE: 3821600 -98.5911 14.5838 -196.175 -115.129 56.7348 15.1506 2.28876 -149.208 -80.0614 PRESSAVG: 3821600 41.127 -29.3043 13.4386 -29.3042 -41.0074 -57.3321 13.4386 -57.3321 9.9674 GPRESSAVG: 3821600 40.4458 -31.0851 14.304 -28.2787 -40.4757 -55.2063 15.6977 -57.1781 9.25704 TIMING: 3821600 CPU: 12139.5, 0.00316201/step Wall: 12139.5, 0.00316201/step, 1.03503 hours remaining, 243.238281 MB of memory in use. ENERGY: 3821600 4043.5719 20630.8988 14493.2823 255.2842 -203164.0363 2351.9865 0.0000 0.0000 52203.3872 -109185.6254 300.0136 -161389.0126 -108825.8543 299.8402 -69.8071 -40.6392 762118.7440 3.3623 3.0757 PRESSURE: 3821800 -32.6347 299.363 130.398 299.363 -66.4705 84.8937 130.397 84.8935 -26.1233 GPRESSURE: 3821800 -35.5019 272.236 142.207 189.324 -61.2546 164.072 137.351 -32.1758 48.1912 PRESSAVG: 3821800 91.0037 -27.709 30.9489 -27.709 -66.0283 -20.1825 30.9489 -20.1823 -3.05675 GPRESSAVG: 3821800 89.1777 -24.5612 30.6317 -27.7053 -65.7847 -23.7992 30.8581 -19.9358 -1.5467 TIMING: 3821800 CPU: 12140.2, 0.00321388/step Wall: 12140.2, 0.00321388/step, 1.05183 hours remaining, 243.238281 MB of memory in use. ENERGY: 3821800 3992.1140 20522.1302 14476.8793 256.0175 -203140.4615 2311.1484 0.0000 0.0000 52186.8562 -109395.3159 299.9186 -161582.1721 -109033.9785 299.9048 -41.7428 -16.1884 761917.9307 7.3062 7.2821 PRESSURE: 3822000 57.182 -67.1532 -272.349 -67.1532 -24.3252 -19.5752 -272.349 -19.5744 85.456 GPRESSURE: 3822000 82.7416 -21.7765 -258.832 -144.4 -53.033 31.5482 -106.698 34.0283 171.159 PRESSAVG: 3822000 56.9856 -6.73731 -11.2129 -6.73731 -47.0259 2.90116 -11.2129 2.9011 25.172 GPRESSAVG: 3822000 59.1537 -8.88371 -11.3692 -7.22391 -47.7884 3.53704 -10.5602 2.35752 24.0494 TIMING: 3822000 CPU: 12140.8, 0.00317342/step Wall: 12140.8, 0.00317342/step, 1.03841 hours remaining, 243.238281 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: 3822000 3962.0732 20679.3658 14472.8294 236.7691 -203217.6338 2565.1147 0.0000 0.0000 52129.1502 -109172.3314 299.5869 -161301.4815 -108813.7994 299.7607 39.4376 66.9557 762161.5256 11.7106 11.8049 PRESSURE: 3822200 251.426 332.735 -74.3925 332.735 -59.6123 -106.687 -74.3912 -106.688 314.838 GPRESSURE: 3822200 259.81 292.202 -64.3756 314.88 19.2711 -72.8053 -176.862 -72.1561 319.673 PRESSAVG: 3822200 83.7827 -15.6534 33.7883 -15.6534 -40.7381 -9.13283 33.7883 -9.13288 16.2226 GPRESSAVG: 3822200 82.5179 -15.0036 33.4719 -17.8042 -39.5097 -7.74816 31.1648 -7.79865 15.6747 TIMING: 3822200 CPU: 12141.4, 0.00317001/step Wall: 12141.4, 0.00317001/step, 1.03712 hours remaining, 243.238281 MB of memory in use. ENERGY: 3822200 4047.0164 20536.6678 14508.5427 264.8185 -203752.9544 2714.4560 0.0000 0.0000 52233.3965 -109448.0565 300.1860 -161681.4530 -109084.5183 299.6033 168.8839 199.5845 759428.9722 19.7557 19.5610 PRESSURE: 3822400 2.55683 2.48111 -98.369 2.48167 56.5907 -37.9909 -98.3695 -37.9906 147.252 GPRESSURE: 3822400 -85.8067 22.7895 12.1039 -4.60926 140.956 -27.6399 9.11837 38.0011 236.694 PRESSAVG: 3822400 70.1711 -64.3927 13.5828 -64.3927 -51.1338 51.4932 13.5828 51.4931 6.52813 GPRESSAVG: 3822400 70.1586 -63.7478 13.5914 -60.8912 -51.7177 50.267 15.8809 50.0002 7.60155 TIMING: 3822400 CPU: 12142.1, 0.00320319/step Wall: 12142.1, 0.00320319/step, 1.0478 hours remaining, 243.238281 MB of memory in use. ENERGY: 3822400 4092.2649 20604.8557 14503.4111 249.9914 -203721.4037 2609.8384 0.0000 0.0000 52089.3256 -109571.7166 299.3581 -161661.0422 -109202.0435 299.6912 68.8000 97.2812 762056.3936 8.5218 8.6808 PRESSURE: 3822600 218.782 130.059 60.6511 130.057 -92.229 -39.3372 60.6506 -39.3371 -257.293 GPRESSURE: 3822600 330.516 144.194 37.0938 39.6325 -124.066 35.4944 78.0295 -11.4009 -249.178 PRESSAVG: 3822600 -6.24838 -59.4186 -4.73193 -59.4186 -18.6819 18.3365 -4.73194 18.3365 9.72268 GPRESSAVG: 3822600 -6.10249 -58.5032 -3.54649 -62.2225 -18.8818 19.1863 -4.64935 18.6344 9.60123 TIMING: 3822600 CPU: 12142.7, 0.00317622/step Wall: 12142.7, 0.00317622/step, 1.0388 hours remaining, 243.238281 MB of memory in use. ENERGY: 3822600 4132.4653 20547.7486 14453.0900 244.0574 -203512.4550 2481.5449 0.0000 0.0000 52032.2052 -109621.3435 299.0298 -161653.5487 -109264.7790 299.2059 -43.5802 -14.2428 761155.1365 -5.0692 -5.1277 PRESSURE: 3822800 -9.15444 -101.986 14.6654 -101.986 -157.007 325.137 14.6654 325.138 164.227 GPRESSURE: 3822800 44.2267 -26.8503 -91.5261 -11.154 -125.324 358.025 31.854 226.805 182.401 PRESSAVG: 3822800 70.8504 -16.5435 11.2247 -16.5436 -73.5682 19.1786 11.2246 19.1786 6.09857 GPRESSAVG: 3822800 70.6646 -18.0294 10.2449 -14.4168 -73.5668 17.5829 10.7378 19.0143 6.40641 TIMING: 3822800 CPU: 12143.3, 0.00317567/step Wall: 12143.3, 0.00317567/step, 1.03844 hours remaining, 243.238281 MB of memory in use. ENERGY: 3822800 3969.3195 20531.9675 14509.7694 270.8005 -203161.4362 2177.0181 0.0000 0.0000 52209.6491 -109492.9120 300.0496 -161702.5611 -109131.5984 299.5548 -0.6449 33.7679 760727.0285 1.1269 1.1681 PRESSURE: 3823000 107.975 -30.72 147.885 -30.72 259.402 148.025 147.885 148.027 92.8546 GPRESSURE: 3823000 121.535 -19.1393 188.975 90.2495 303.98 195.93 28.4782 75.3947 104.727 PRESSAVG: 3823000 46.558 -40.9592 2.12333 -40.9592 8.87109 28.4849 2.12335 28.4849 4.638 GPRESSAVG: 3823000 46.8826 -40.5368 0.752408 -40.6955 8.42337 27.6301 1.79576 30.5869 4.01662 TIMING: 3823000 CPU: 12144, 0.00318825/step Wall: 12144, 0.00318825/step, 1.04238 hours remaining, 243.238281 MB of memory in use. ENERGY: 3823000 3977.4395 20505.9460 14495.5805 243.7150 -203794.4710 2707.0881 0.0000 0.0000 52383.0863 -109481.6155 301.0463 -161864.7018 -109123.6982 299.6405 153.4106 176.7472 758512.3699 20.0224 19.7742 PRESSURE: 3823200 146.964 -169.757 -90.5759 -169.756 59.0052 30.6591 -90.5758 30.659 133.621 GPRESSURE: 3823200 219.923 -136.718 -33.0973 -190.285 125.89 7.65735 -55.0409 17.4753 82.1285 PRESSAVG: 3823200 50.1504 -15.7475 9.9192 -15.7475 -31.1598 53.2057 9.91921 53.2057 -5.05371 GPRESSAVG: 3823200 49.7494 -15.4508 9.60139 -15.7759 -31.3699 54.4668 11.6572 50.9806 -4.93356 TIMING: 3823200 CPU: 12144.6, 0.00318022/step Wall: 12144.6, 0.00318022/step, 1.03958 hours remaining, 243.238281 MB of memory in use. ENERGY: 3823200 4071.7915 20705.2642 14518.1923 233.6742 -203494.2768 2410.6262 0.0000 0.0000 52377.1885 -109177.5400 301.0124 -161554.7284 -108826.9044 300.0132 113.1967 142.6472 758979.5224 4.6456 4.4820 PRESSURE: 3823400 18.1557 -175.406 -227.738 -175.406 39.8051 52.2044 -227.738 52.2055 -135.546 GPRESSURE: 3823400 47.7387 -106.596 -238.871 -84.2384 44.3566 70.7568 -151.799 63.3828 -86.4969 PRESSAVG: 3823400 52.6268 9.17294 -8.30993 9.17296 -38.7548 -13.3322 -8.30993 -13.3322 -3.83145 GPRESSAVG: 3823400 52.2275 7.93252 -6.08491 9.88249 -38.5161 -12.7891 -10.8048 -11.9833 -3.73406 TIMING: 3823400 CPU: 12145.2, 0.00314974/step Wall: 12145.2, 0.00314975/step, 1.02944 hours remaining, 243.238281 MB of memory in use. ENERGY: 3823400 3987.8954 20505.2431 14462.5025 251.6770 -203338.5529 2507.5651 0.0000 0.0000 52283.6288 -109340.0410 300.4747 -161623.6698 -108963.7432 299.8226 -25.8617 1.8661 761430.6961 3.3468 3.3258 PRESSURE: 3823600 141.314 -361.823 87.1923 -361.823 -37.2406 110.49 87.1911 110.491 -185.278 GPRESSURE: 3823600 156.663 -285.548 126.554 -329.143 70.5954 96.1478 -2.87162 127.178 -215.472 PRESSAVG: 3823600 25.8033 -22.2691 -30.484 -22.2691 -3.7116 14.538 -30.484 14.538 -5.93848 GPRESSAVG: 3823600 27.329 -20.5317 -29.9037 -22.1092 -4.46311 14.6635 -31.0932 13.3731 -6.79989 TIMING: 3823600 CPU: 12145.9, 0.00313257/step Wall: 12145.9, 0.00313257/step, 1.02365 hours remaining, 243.238281 MB of memory in use. ENERGY: 3823600 3955.8925 20334.3882 14485.2422 265.6722 -203338.5387 2519.6529 0.0000 0.0000 52284.7398 -109492.9511 300.4811 -161777.6909 -109124.4153 299.3383 -27.0682 3.9288 760416.6729 5.3844 5.3553 PRESSURE: 3823800 488.814 -159.02 184.497 -159.02 199.984 56.6119 184.496 56.6116 216.038 GPRESSURE: 3823800 459.036 -185.497 246.167 -136.402 329.566 30.7055 153.832 143.153 217.23 PRESSAVG: 3823800 39.4341 -29.5152 -33.9129 -29.5152 -20.128 1.99066 -33.9128 1.99055 17.58 GPRESSAVG: 3823800 39.2383 -29.7735 -35.1676 -32.8885 -20.5406 2.28104 -32.4358 2.48958 18.232 TIMING: 3823800 CPU: 12146.5, 0.00312703/step Wall: 12146.5, 0.00312703/step, 1.02167 hours remaining, 243.238281 MB of memory in use. ENERGY: 3823800 4022.4709 20519.8984 14486.6216 238.2848 -203788.9031 2869.4462 0.0000 0.0000 52105.4461 -109546.7351 299.4507 -161652.1812 -109193.2574 299.4465 301.6123 335.2772 759180.7718 12.2954 12.3099 PRESSURE: 3824000 -53.3831 22.4261 -242.065 22.4259 -75.392 23.8069 -242.064 23.8071 -12.5551 GPRESSURE: 3824000 -20.8155 42.8817 -218.991 45.2962 9.91035 57.348 -70.8958 -6.42321 -35.7343 PRESSAVG: 3824000 -21.4255 -6.89327 -28.4063 -6.89325 37.2669 -18.3431 -28.4063 -18.3432 -3.79787 GPRESSAVG: 3824000 -22.0551 -6.18377 -30.1776 -3.34129 38.6001 -18.0004 -27.3876 -17.4027 -4.43748 TIMING: 3824000 CPU: 12147.1, 0.00314709/step Wall: 12147.1, 0.00314709/step, 1.02805 hours remaining, 243.238281 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: 3824000 4087.4669 20544.7271 14439.2690 239.0046 -203342.6880 2586.6167 0.0000 0.0000 51916.4029 -109529.2007 298.3643 -161445.6036 -109170.6809 299.5628 -47.1101 -15.5465 761028.0970 4.0145 4.0358 PRESSURE: 3824200 309.496 59.484 258.676 59.4842 349.519 89.9518 258.677 89.9522 216.661 GPRESSURE: 3824200 400.281 106.379 256.695 -0.540395 317.711 87.3097 160.851 -19.2999 255.3 PRESSAVG: 3824200 -20.7158 -10.6181 -44.9169 -10.6181 -17.1634 -23.7891 -44.9168 -23.7891 6.59205 GPRESSAVG: 3824200 -20.2164 -11.0459 -42.8529 -13.2772 -17.646 -24.3795 -45.4958 -25.5112 6.85034 TIMING: 3824200 CPU: 12147.7, 0.00314793/step Wall: 12147.7, 0.00314793/step, 1.02815 hours remaining, 243.238281 MB of memory in use. ENERGY: 3824200 4066.8117 20493.6882 14429.9666 259.6375 -203551.2052 2796.7817 0.0000 0.0000 52218.4415 -109285.8780 300.1001 -161504.3195 -108920.8156 300.1334 291.8920 324.4308 760534.3134 -10.4291 -10.3373 LDB: ============= START OF LOAD BALANCING ============== 12160.2 LDB: ============== END OF LOAD BALANCING =============== 12160.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.2 LDB: ============= START OF LOAD BALANCING ============== 12160.5 LDB: Largest compute 7049 load 0.034431 is 17.6% of average load 0.195327 LDB: Average compute 0.004375 is 2.2% of average load 0.195327 LDB: TIME 12160.5 LOAD: AVG 0.195327 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.465 MB LDB: TIME 12160.5 LOAD: AVG 0.195327 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: TIME 12160.5 LOAD: AVG 0.195327 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: ============== END OF LOAD BALANCING =============== 12160.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.5 PRESSURE: 3824400 -117.515 -116.599 202.368 -116.599 -92.5563 38.2294 202.368 38.2301 259.816 GPRESSURE: 3824400 -54.518 -136.712 181.385 -117.551 -74.195 -18.5507 289.976 126.294 259.821 PRESSAVG: 3824400 17.2072 -30.0204 77.8144 -30.0204 -6.99054 18.3524 77.8143 18.3524 26.1562 GPRESSAVG: 3824400 17.1401 -31.4289 77.385 -29.7994 -7.14234 16.9961 76.5537 18.8117 26.6878 TIMING: 3824400 CPU: 12148.4, 0.00322105/step Wall: 12148.4, 0.00322105/step, 1.05185 hours remaining, 239.488281 MB of memory in use. ENERGY: 3824400 3950.6392 20446.2541 14482.9838 258.1860 -203325.0717 2326.4180 0.0000 0.0000 52337.0588 -109523.5318 300.7818 -161860.5906 -109148.4788 300.3193 16.5816 43.7026 759376.2057 12.1243 12.2285 PRESSURE: 3824600 -67.8709 -43.2048 -172.746 -43.2042 -41.7772 128.664 -172.746 128.664 -112.7 GPRESSURE: 3824600 -19.5488 -8.14797 -89.3562 -104.391 -86.3647 217.603 -195.283 141.816 -38.4054 PRESSAVG: 3824600 -12.3904 -19.6523 67.5203 -19.6523 -15.2046 33.8565 67.5203 33.8565 2.60713 GPRESSAVG: 3824600 -12.3033 -20.2144 68.5794 -18.1977 -14.4832 35.0187 68.9826 34.8888 1.69163 TIMING: 3824600 CPU: 12149, 0.00315285/step Wall: 12149, 0.00315285/step, 1.0294 hours remaining, 239.691406 MB of memory in use. ENERGY: 3824600 3996.6045 20454.6019 14417.2987 262.1767 -203421.7292 2529.7703 0.0000 0.0000 52110.5879 -109650.6892 299.4803 -161761.2771 -109279.3776 299.4561 -74.1159 -48.1063 760617.9005 -8.3293 -8.3649 PRESSURE: 3824800 527.972 11.7397 112.334 11.7388 283.939 -178.937 112.333 -178.936 458.821 GPRESSURE: 3824800 526.75 42.8108 63.7009 -30.643 358.315 -223.457 -10.7316 -150.488 482.189 PRESSAVG: 3824800 60.0209 -25.3388 24.2703 -25.3388 -94.8146 3.66645 24.2703 3.66649 -11.6793 GPRESSAVG: 3824800 59.4922 -23.9963 24.8191 -27.5041 -94.5692 5.38068 23.2474 2.30931 -11.5307 TIMING: 3824800 CPU: 12149.7, 0.00316155/step Wall: 12149.7, 0.00316155/step, 1.03207 hours remaining, 239.691406 MB of memory in use. ENERGY: 3824800 3965.4065 20326.7739 14504.1553 256.7382 -203927.7310 3090.3993 0.0000 0.0000 52027.5352 -109756.7225 299.0030 -161784.2578 -109384.6265 298.9313 423.5772 455.7512 760460.5110 -15.4910 -15.5359 PRESSURE: 3825000 236.48 76.68 -216.645 76.6816 172.598 -258.44 -216.646 -258.44 39.6846 GPRESSURE: 3825000 211.072 -17.27 -134.386 111.97 250.247 -242.129 -166.955 -135.619 83.3239 PRESSAVG: 3825000 3.83976 4.09174 -43.7806 4.09181 15.8959 -37.9215 -43.7806 -37.9214 -4.54602 GPRESSAVG: 3825000 4.76862 1.94657 -43.803 5.95817 15.1001 -39.559 -41.551 -38.018 -4.27592 TIMING: 3825000 CPU: 12150.3, 0.00313893/step Wall: 12150.3, 0.00313893/step, 1.02451 hours remaining, 239.691406 MB of memory in use. ENERGY: 3825000 3949.9905 20491.1855 14485.6245 246.1631 -203848.0117 2859.7265 0.0000 0.0000 51845.5620 -109969.7597 297.9572 -161815.3217 -109614.4592 299.0819 149.5875 181.5478 757885.1097 5.0632 5.1976 PRESSURE: 3825200 -77.7591 -104.481 -18.6622 -104.482 -132.323 -156.137 -18.6625 -156.136 5.79285 GPRESSURE: 3825200 26.8029 7.1576 0.767798 -83.054 -167.489 -100.968 -17.0376 -240.107 0.0305792 PRESSAVG: 3825200 36.1115 33.9315 -30.132 33.9315 -53.7564 -42.0281 -30.132 -42.0281 -0.687456 GPRESSAVG: 3825200 35.9547 36.6227 -32.204 33.7459 -54.0199 -41.3124 -31.7154 -41.3728 -0.0888958 TIMING: 3825200 CPU: 12150.9, 0.00313223/step Wall: 12150.9, 0.00313223/step, 1.02215 hours remaining, 239.691406 MB of memory in use. ENERGY: 3825200 4031.7158 20630.4969 14415.4433 254.2246 -203920.5628 2751.7502 0.0000 0.0000 51954.5796 -109882.3524 298.5837 -161836.9321 -109523.2550 298.6878 -68.0963 -46.8853 758978.5036 -6.1108 -6.0514 PRESSURE: 3825400 -166.548 -120.819 203.77 -120.819 -119.555 -206.276 203.77 -206.275 -248.286 GPRESSURE: 3825400 -160.778 -36.1102 260.143 -54.4423 -82.7556 -177.655 217.74 -285.068 -209.764 PRESSAVG: 3825400 38.6304 -0.549515 -27.1662 -0.549458 -41.5923 -1.86065 -27.1663 -1.86066 -10.5351 GPRESSAVG: 3825400 38.3497 -1.23364 -26.9141 -0.0700041 -41.3932 -1.99749 -27.8235 -2.16166 -10.5117 TIMING: 3825400 CPU: 12151.5, 0.00314357/step Wall: 12151.5, 0.00314357/step, 1.02568 hours remaining, 239.691406 MB of memory in use. ENERGY: 3825400 4023.2658 20513.4589 14383.9510 255.3257 -203533.4989 2432.0245 0.0000 0.0000 52195.2008 -109730.2722 299.9665 -161925.4730 -109347.2715 299.6113 -178.1296 -151.0989 761133.2287 -4.4990 -4.5184 PRESSURE: 3825600 -234.291 53.6623 -69.1424 53.6622 -438.425 49.7945 -69.1429 49.7937 -299.029 GPRESSURE: 3825600 -199.576 75.2079 -48.5189 142.466 -398.377 66.1392 57.073 113.128 -325.826 PRESSAVG: 3825600 42.7348 2.64137 -5.25655 2.64136 -14.3054 -35.1336 -5.25656 -35.1337 9.63574 GPRESSAVG: 3825600 41.3586 1.93554 -4.85359 2.32373 -13.4402 -34.6086 -4.75924 -35.568 9.87732 TIMING: 3825600 CPU: 12152.2, 0.00314835/step Wall: 12152.2, 0.00314835/step, 1.02706 hours remaining, 239.691406 MB of memory in use. ENERGY: 3825600 4057.4618 20710.6865 14443.3994 237.1722 -203695.9123 2398.1381 0.0000 0.0000 52364.8867 -109484.1675 300.9417 -161849.0542 -109122.4114 299.9021 -323.9148 -307.9264 760229.4247 12.6884 12.5986 PRESSURE: 3825800 -253.107 169.601 133.035 169.601 -20.7249 68.6617 133.035 68.6615 -246.113 GPRESSURE: 3825800 -120.279 135.487 143.127 29.8042 -44.4278 100.863 23.318 -40.0279 -258.51 PRESSAVG: 3825800 -41.6206 8.01578 60.8679 8.01576 -7.65744 18.3101 60.8679 18.3101 37.6655 GPRESSAVG: 3825800 -40.2687 8.1783 59.8633 9.80966 -8.0419 17.6538 62.2708 18.3984 36.6964 TIMING: 3825800 CPU: 12152.8, 0.00315873/step Wall: 12152.8, 0.00315873/step, 1.03027 hours remaining, 239.691406 MB of memory in use. ENERGY: 3825800 4127.2160 20578.2264 14432.8521 242.6396 -203569.3176 2483.7574 0.0000 0.0000 52052.2055 -109652.4206 299.1447 -161704.6260 -109291.7647 299.9555 -173.3151 -141.0725 761378.5353 -3.8709 -3.8714 PRESSURE: 3826000 -274.087 -39.9569 245.69 -39.9566 -438.106 67.6682 245.69 67.6685 -411.896 GPRESSURE: 3826000 -396.343 49.0104 249.106 -126.002 -344.017 79.2924 225.044 111.841 -299.646 PRESSAVG: 3826000 -126.085 -14.7073 66.569 -14.7073 109.374 -15.4605 66.569 -15.4605 -9.15685 GPRESSAVG: 3826000 -126.143 -15.0549 67.1181 -16.7094 109.485 -15.7745 62.9096 -14.6149 -8.37068 TIMING: 3826000 CPU: 12153.4, 0.00316814/step Wall: 12153.4, 0.00316814/step, 1.03317 hours remaining, 239.691406 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: 3826000 4034.5980 20672.5498 14503.4138 247.6510 -203072.1073 2119.5296 0.0000 0.0000 51942.6191 -109551.7460 298.5149 -161494.3651 -109189.9331 299.6064 -374.6964 -346.6686 761574.1184 -8.6227 -8.3430 PRESSURE: 3826200 368.628 -4.42626 -228.62 -4.42676 296.492 -52.2967 -228.62 -52.2978 -0.535555 GPRESSURE: 3826200 406.792 -30.1682 -235.794 13.1483 276.786 -38.9095 -87.6356 -185.511 51.2883 PRESSAVG: 3826200 44.7416 -43.9387 5.28789 -43.9387 -3.16245 -13.5198 5.2879 -13.5197 1.99679 GPRESSAVG: 3826200 45.5081 -43.2371 6.03796 -42.3624 -3.48108 -12.841 7.1721 -12.7585 1.77559 TIMING: 3826200 CPU: 12154.1, 0.00316992/step Wall: 12154.1, 0.00316992/step, 1.03357 hours remaining, 239.691406 MB of memory in use. ENERGY: 3826200 4063.2229 20644.0767 14479.8252 251.1689 -204075.8484 2764.5193 0.0000 0.0000 52357.9382 -109515.0971 300.9018 -161873.0353 -109159.8676 299.3922 221.5279 244.9554 758853.7961 14.5253 14.6009 PRESSURE: 3826400 -304.365 -185.354 191.504 -185.354 200.643 64.591 191.505 64.5908 381.098 GPRESSURE: 3826400 -197.014 -211.856 136.186 -80.9463 126.145 78.9687 154.664 244.876 443.973 PRESSAVG: 3826400 -53.4323 -49.5676 -34.2808 -49.5676 80.2833 12.8359 -34.2808 12.8359 9.42202 GPRESSAVG: 3826400 -52.0035 -49.4709 -35.1548 -51.5375 79.6915 12.9918 -33.6768 10.9827 8.69521 TIMING: 3826400 CPU: 12154.7, 0.00317449/step Wall: 12154.7, 0.00317449/step, 1.03488 hours remaining, 239.691406 MB of memory in use. ENERGY: 3826400 4002.2089 20801.6635 14515.0565 251.7871 -204309.9048 2903.6588 0.0000 0.0000 52002.8936 -109832.6364 298.8613 -161835.5300 -109482.1853 299.6909 92.4585 124.3677 759603.4923 12.0910 12.1277 PRESSURE: 3826600 -350.939 122.644 160.831 122.644 -216.936 45.3721 160.831 45.3728 -160.766 GPRESSURE: 3826600 -357.313 193.091 163.571 216.461 -155.332 94.8377 63.685 9.68157 -127.882 PRESSAVG: 3826600 -0.734056 -31.8551 -2.92437 -31.8551 10.8158 57.6746 -2.92431 57.6745 23.7542 GPRESSAVG: 3826600 -3.05081 -28.6197 -2.76533 -30.4531 12.8149 55.9242 -4.07726 58.0395 24.0604 TIMING: 3826600 CPU: 12155.3, 0.00314026/step Wall: 12155.3, 0.00314026/step, 1.02355 hours remaining, 239.691406 MB of memory in use. ENERGY: 3826600 4041.7082 20329.6937 14578.9303 261.3913 -203332.8823 2407.6305 0.0000 0.0000 51992.7864 -109720.7420 298.8033 -161713.5284 -109354.1215 298.8546 -242.8803 -213.5090 759913.5403 11.2787 11.2748 PRESSURE: 3826800 -532.328 172.517 -41.1453 172.517 -159.447 -9.2093 -41.1444 -9.20888 180.005 GPRESSURE: 3826800 -497.724 208.407 -28.2452 114.691 -128.023 15.4368 -180.15 -141.956 191.516 PRESSAVG: 3826800 -40.7665 30.4736 22.4289 30.4736 22.9827 -6.75304 22.429 -6.75309 -22.0085 GPRESSAVG: 3826800 -39.5446 27.1034 22.5466 30.4651 21.5974 -6.01908 22.8037 -4.9152 -21.7001 TIMING: 3826800 CPU: 12156, 0.00313809/step Wall: 12156, 0.00313809/step, 1.02267 hours remaining, 239.691406 MB of memory in use. ENERGY: 3826800 4039.4088 20624.5396 14497.9308 250.8785 -203390.3638 2548.6879 0.0000 0.0000 52120.3144 -109308.6038 299.5362 -161428.9182 -108941.3562 299.3988 -170.5898 -144.7437 761275.7013 -13.2641 -13.2158 PRESSURE: 3827000 233.147 71.8016 -19.5036 71.8007 257.683 -180.446 -19.5033 -180.447 170.162 GPRESSURE: 3827000 226.797 -36.9943 31.1348 95.8607 313.643 -182.013 -52.3558 -186.793 212.519 PRESSAVG: 3827000 -59.1641 -4.49192 -8.91205 -4.49193 52.7895 -15.4954 -8.91199 -15.4954 -4.44039 GPRESSAVG: 3827000 -59.3535 -5.15105 -7.84125 -5.51192 52.4406 -16.9534 -8.48283 -15.187 -4.15589 TIMING: 3827000 CPU: 12156.6, 0.00313786/step Wall: 12156.6, 0.00313786/step, 1.02242 hours remaining, 239.691406 MB of memory in use. ENERGY: 3827000 3910.5637 20552.1361 14508.3767 258.8407 -203355.4338 2504.4442 0.0000 0.0000 52509.5170 -109111.5553 301.7729 -161621.0724 -108743.0862 300.3949 220.3310 250.9862 759502.9494 -3.6050 -3.6896 PRESSURE: 3827200 -77.1953 -68.6472 25.3111 -68.6476 -178.954 -46.7205 25.3113 -46.7207 104.023 GPRESSURE: 3827200 22.6611 -24.4731 -56.7443 -234.734 -110.319 -63.2318 -6.53597 -6.86264 6.03542 PRESSAVG: 3827200 -49.0234 -7.75713 -15.8754 -7.75709 24.0282 13.49 -15.8755 13.4899 8.69437 GPRESSAVG: 3827200 -48.8244 -7.16058 -16.8393 -7.65457 24.0085 14.7579 -17.324 11.0383 8.48943 TIMING: 3827200 CPU: 12157.2, 0.00312721/step Wall: 12157.2, 0.00312721/step, 1.01878 hours remaining, 239.691406 MB of memory in use. ENERGY: 3827200 4022.6220 20527.3571 14489.2791 258.7385 -203324.6958 2531.5585 0.0000 0.0000 52210.2174 -109284.9232 300.0528 -161495.1406 -108914.3642 300.3464 -50.7085 -27.2074 760844.6128 -5.4336 -5.4422 PRESSURE: 3827400 -31.2069 66.8072 37.078 66.8068 -54.7879 315.509 37.0774 315.508 -329.965 GPRESSURE: 3827400 0.0889385 -7.96513 55.7055 118.477 -41.3889 228.853 153.364 270.239 -310.032 PRESSAVG: 3827400 -51.1427 22.1162 1.44487 22.1163 54.0589 -9.53896 1.44493 -9.53891 -11.2432 GPRESSAVG: 3827400 -52.3029 23.4366 1.7789 21.0139 54.0303 -10.1377 2.19421 -9.55257 -10.6237 TIMING: 3827400 CPU: 12157.8, 0.00314248/step Wall: 12157.8, 0.00314248/step, 1.02358 hours remaining, 239.691406 MB of memory in use. ENERGY: 3827400 4052.0940 20577.9884 14503.9974 249.3687 -203601.4431 2477.1103 0.0000 0.0000 52158.2707 -109582.6137 299.7543 -161740.8844 -109201.7779 299.8410 -138.6533 -117.1105 757811.7188 -2.7757 -2.9654 PRESSURE: 3827600 252.558 -31.6203 -80.7092 -31.6202 -14.352 -215.421 -80.7097 -215.421 28.1198 GPRESSURE: 3827600 129.405 -60.5195 -95.0265 26.8811 161.538 -158.428 -65.943 -311.568 58.9053 PRESSAVG: 3827600 -0.486708 11.8205 10.6305 11.8205 -7.90596 16.8201 10.6306 16.82 10.6942 GPRESSAVG: 3827600 -0.07518 11.7598 12.04 12.7749 -8.47751 17.5934 9.98249 16.5306 11.2512 TIMING: 3827600 CPU: 12158.5, 0.00315063/step Wall: 12158.5, 0.00315063/step, 1.02605 hours remaining, 239.691406 MB of memory in use. ENERGY: 3827600 4026.2803 20541.8815 14486.6406 248.6811 -204099.6091 2815.0482 0.0000 0.0000 52223.6408 -109757.4366 300.1300 -161981.0774 -109391.3731 300.0957 88.7752 116.6159 759373.1542 0.7672 0.8995 PRESSURE: 3827800 -295.244 71.8208 118.706 71.8219 243.766 46.9288 118.706 46.9286 267.566 GPRESSURE: 3827800 -172.292 46.0162 115.57 76.415 236.583 65.2101 64.7997 68.3882 249 PRESSAVG: 3827800 13.838 -46.3523 -6.34851 -46.3523 -29.4479 -61.4667 -6.34848 -61.4666 -8.44513 GPRESSAVG: 3827800 11.9927 -46.1205 -7.26513 -44.755 -27.6463 -62.2308 -4.66777 -57.8744 -8.39029 TIMING: 3827800 CPU: 12159.1, 0.00316161/step Wall: 12159.1, 0.00316161/step, 1.02946 hours remaining, 239.691406 MB of memory in use. ENERGY: 3827800 3986.4242 20452.7631 14506.8783 255.3388 -203635.4831 2638.6205 0.0000 0.0000 52046.6578 -109748.8004 299.1129 -161795.4582 -109383.1534 299.4809 72.0291 104.4299 759400.5851 -8.0184 -8.0146 PRESSURE: 3828000 -339.446 -215.406 -159.321 -215.406 144.81 166.143 -159.321 166.141 241.714 GPRESSURE: 3828000 -159.138 -195.717 -125.793 -20.7835 13.5874 211.242 -172.832 137.169 280.979 PRESSAVG: 3828000 -18.0535 -0.613444 2.94591 -0.613425 -11.2799 33.6742 2.9459 33.6742 12.7569 GPRESSAVG: 3828000 -15.8152 -2.32587 3.26302 -1.11729 -12.263 33.7524 2.45153 32.0741 11.6395 TIMING: 3828000 CPU: 12159.7, 0.00313167/step Wall: 12159.7, 0.00313167/step, 1.01953 hours remaining, 239.691406 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: 3828000 3905.3752 20512.4337 14403.0495 274.7151 -203614.5911 2521.2065 0.0000 0.0000 52686.2290 -109311.5822 302.7885 -161997.8112 -108941.2994 299.6917 15.6925 45.1428 760409.5225 -5.5255 -5.4796 PRESSURE: 3828200 -28.2382 -58.1747 -46.9259 -58.175 -277.902 -22.6409 -46.9256 -22.6411 -406.957 GPRESSURE: 3828200 -67.4375 87.5007 -92.0287 -125.389 -157.842 -60.1264 27.5328 -14.818 -393.846 PRESSAVG: 3828200 27.7035 -28.6338 -37.5563 -28.6338 -28.1997 12.6992 -37.5562 12.6991 -26.5295 GPRESSAVG: 3828200 26.2401 -27.3175 -39.5502 -29.678 -28.0751 12.7268 -37.2143 11.516 -24.9629 TIMING: 3828200 CPU: 12160.3, 0.00312611/step Wall: 12160.3, 0.00312611/step, 1.01755 hours remaining, 239.691406 MB of memory in use. ENERGY: 3828200 4000.4907 20612.0622 14449.3104 239.1007 -203370.1567 2358.5394 0.0000 0.0000 52315.1224 -109395.5309 300.6557 -161710.6533 -109034.3803 300.3082 -237.6990 -206.3754 760413.1890 -9.0085 -8.9326 LDB: ============= START OF LOAD BALANCING ============== 12172.8 LDB: ============== END OF LOAD BALANCING =============== 12172.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12172.8 LDB: ============= START OF LOAD BALANCING ============== 12173.1 LDB: Largest compute 7074 load 0.032996 is 16.9% of average load 0.195436 LDB: Average compute 0.004370 is 2.2% of average load 0.195436 LDB: TIME 12173.1 LOAD: AVG 0.195436 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.746 MB LDB: TIME 12173.1 LOAD: AVG 0.195436 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.949 MB LDB: TIME 12173.1 LOAD: AVG 0.195436 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.949 MB LDB: ============== END OF LOAD BALANCING =============== 12173.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12173.1 PRESSURE: 3828400 -305.326 -141.547 -15.1056 -141.546 -158.105 105.513 -15.1054 105.513 -137.948 GPRESSURE: 3828400 -317.486 -112.056 -29.2539 -79.4332 -100.35 173.334 169.985 -49.9733 -111.371 PRESSAVG: 3828400 60.1701 1.03509 -17.9275 1.03515 -7.49741 6.95587 -17.9275 6.95582 19.4824 GPRESSAVG: 3828400 59.7627 0.762024 -15.1667 3.84368 -5.66227 8.72632 -17.7419 6.9265 18.2457 TIMING: 3828400 CPU: 12161, 0.00319745/step Wall: 12161, 0.00319745/step, 1.04059 hours remaining, 241.496094 MB of memory in use. ENERGY: 3828400 3941.2076 20596.6872 14435.8331 249.1228 -203228.6393 2254.1809 0.0000 0.0000 51918.6389 -109832.9687 298.3771 -161751.6076 -109473.7323 299.8950 -200.4597 -176.4022 760129.3857 24.0517 24.1154 PRESSURE: 3828600 -318.162 50.7267 39.8301 50.7275 -159.212 -142.556 39.8309 -142.555 -153.007 GPRESSURE: 3828600 -254.875 -8.99103 -43.0571 -39.7593 -154.242 -112.632 -27.5649 -62.6215 -143.104 PRESSAVG: 3828600 -8.01089 -28.344 -4.41905 -28.3439 -30.1616 31.3846 -4.41905 31.3845 -1.76833 GPRESSAVG: 3828600 -6.48379 -27.8415 -7.46592 -31.4259 -31.3416 30.7657 -4.09849 32.7737 -2.16965 TIMING: 3828600 CPU: 12161.6, 0.00315791/step Wall: 12161.6, 0.00315791/step, 1.02755 hours remaining, 241.496094 MB of memory in use. ENERGY: 3828600 3956.4131 20357.0164 14506.8127 268.7933 -203420.2109 2164.2152 0.0000 0.0000 52253.5570 -109913.4032 300.3019 -162166.9602 -109546.9601 298.9373 -210.1269 -184.0736 759807.3008 -13.3136 -13.3317 PRESSURE: 3828800 36.1788 -215.046 55.2717 -215.045 -51.6518 196.788 55.2713 196.788 -207.88 GPRESSURE: 3828800 96.152 -186.451 78.8759 -213.292 -19.6306 122.254 60.7665 289.297 -201.119 PRESSAVG: 3828800 15.7008 -12.1757 -48.4289 -12.1757 -35.8707 10.6823 -48.4289 10.6824 5.97471 GPRESSAVG: 3828800 14.4965 -12.9474 -45.104 -9.65156 -35.4731 8.67709 -50.0765 11.7982 7.07522 TIMING: 3828800 CPU: 12162.3, 0.00317082/step Wall: 12162.3, 0.00317082/step, 1.03157 hours remaining, 241.496094 MB of memory in use. ENERGY: 3828800 4017.9137 20432.7980 14418.6045 244.6616 -203602.1658 2605.8911 0.0000 0.0000 51923.7474 -109958.5495 298.4065 -161882.2969 -109600.9064 298.5664 -74.4510 -41.5325 758470.5617 -4.7317 -4.6338 PRESSURE: 3829000 57.1232 109.162 183.734 109.161 277.282 -114.723 183.734 -114.723 -63.3486 GPRESSURE: 3829000 192.557 131.181 233.682 139.042 267.598 -24.8317 213.746 -50.1488 -107.501 PRESSAVG: 3829000 -33.7928 -21.6587 -37.2728 -21.6588 -18.5056 -39.5171 -37.2729 -39.5171 17.4086 GPRESSAVG: 3829000 -33.1302 -22.6552 -37.3869 -23.3862 -19.5674 -36.993 -37.9504 -41.5195 17.7084 TIMING: 3829000 CPU: 12162.9, 0.00313189/step Wall: 12162.9, 0.00313189/step, 1.01873 hours remaining, 241.496094 MB of memory in use. ENERGY: 3829000 3934.9440 20326.0971 14424.3639 261.2895 -203416.4481 2539.0960 0.0000 0.0000 52060.1615 -109870.4961 299.1905 -161930.6576 -109501.2922 298.7386 90.3523 117.5516 759566.4522 -11.6299 -11.6631 PRESSURE: 3829200 42.9241 -158.527 -79.4719 -158.527 -52.2953 105.367 -79.4718 105.367 -62.4273 GPRESSURE: 3829200 41.5044 -22.7902 -112.344 -73.7679 -43.0858 159.635 -27.4839 -82.7233 15.5841 PRESSAVG: 3829200 61.8746 -33.8951 -80.5593 -33.8951 0.312695 -21.4213 -80.5593 -21.4213 -3.74989 GPRESSAVG: 3829200 62.7444 -33.0277 -82.1666 -31.4793 -0.720777 -21.7695 -79.3123 -21.8934 -3.94999 TIMING: 3829200 CPU: 12163.5, 0.00314941/step Wall: 12163.5, 0.00314941/step, 1.02426 hours remaining, 241.496094 MB of memory in use. ENERGY: 3829200 3970.5729 20433.3340 14414.5640 244.1831 -203276.2013 2321.0707 0.0000 0.0000 52154.5421 -109737.9345 299.7329 -161892.4766 -109377.6191 299.0498 -23.9329 4.6676 758899.7606 19.4791 19.3579 PRESSURE: 3829400 -96.8199 -141.495 -84.9127 -141.495 -272.191 -13.9587 -84.9131 -13.9581 30.7301 GPRESSURE: 3829400 -125.484 -253.572 -42.7394 -132.16 -222.971 155.656 108.743 57.8113 96.5119 PRESSAVG: 3829400 34.6106 -17.1658 -35.8084 -17.1658 -19.36 16.0211 -35.8084 16.0211 28.6988 GPRESSAVG: 3829400 33.5382 -17.359 -36.3999 -17.4418 -18.5836 16.8447 -33.8589 16.4847 28.642 TIMING: 3829400 CPU: 12164.1, 0.00314034/step Wall: 12164.1, 0.00314034/step, 1.02113 hours remaining, 241.496094 MB of memory in use. ENERGY: 3829400 4005.9691 20598.6952 14465.1246 249.1577 -203625.6201 2562.2487 0.0000 0.0000 51932.6127 -109811.8122 298.4574 -161744.4249 -109460.2615 299.1123 -112.7604 -83.9809 759513.6407 14.6498 14.5322 PRESSURE: 3829600 399.371 108.021 191.325 108.021 487.953 114.158 191.325 114.157 -93.0012 GPRESSURE: 3829600 400.144 1.92802 221.776 204.744 505.2 122.307 143.869 66.6267 -47.8383 PRESSAVG: 3829600 7.60614 -9.81143 -3.78622 -9.81145 13.5816 26.7594 -3.78623 26.7593 -11.4545 GPRESSAVG: 3829600 7.81032 -10.735 -3.61038 -11.6767 12.8441 26.5637 -3.60099 28.434 -10.9644 TIMING: 3829600 CPU: 12164.8, 0.00317102/step Wall: 12164.8, 0.00317102/step, 1.03093 hours remaining, 241.496094 MB of memory in use. ENERGY: 3829600 3938.0903 20357.8937 14463.6431 261.1993 -203987.3914 2944.7977 0.0000 0.0000 51946.9102 -110074.8572 298.5396 -162021.7674 -109707.7361 298.8025 264.7742 285.8352 759490.1651 3.2444 3.2300 PRESSURE: 3829800 -185.428 -155.129 0.322109 -155.129 -641.144 -31.7547 0.32214 -31.7539 -178.933 GPRESSURE: 3829800 -188.492 -232.788 5.1788 -62.6483 -555.175 44.9815 2.53936 83.5407 -187.77 PRESSAVG: 3829800 -15.5074 -47.4709 15.5759 -47.4709 13.3398 47.6937 15.5759 47.6937 6.38991 GPRESSAVG: 3829800 -16.3505 -46.61 18.5136 -46.8571 14.3353 46.6365 13.7723 48.6393 5.95876 TIMING: 3829800 CPU: 12165.4, 0.00315727/step Wall: 12165.4, 0.00315727/step, 1.02629 hours remaining, 241.496094 MB of memory in use. ENERGY: 3829800 3942.2708 20684.6483 14509.8710 261.2611 -203115.0220 2132.5025 0.0000 0.0000 51618.3583 -109966.1100 296.6514 -161584.4683 -109601.8810 298.3629 -335.1686 -310.4792 760746.2845 1.4074 1.3145 PRESSURE: 3830000 22.0926 -108.26 -84.0135 -108.26 -88.568 125.158 -84.0142 125.157 16.7705 GPRESSURE: 3830000 11.1941 -177.504 -93.2596 -95.769 70.6202 97.8208 -35.4013 145.853 -53.761 PRESSAVG: 3830000 -7.49966 -61.077 -18.6851 -61.0771 35.1227 0.656882 -18.6852 0.656863 -0.0745053 GPRESSAVG: 3830000 -6.55928 -60.8826 -19.963 -60.0991 35.0898 0.203119 -16.7813 -0.556711 -0.791842 TIMING: 3830000 CPU: 12166, 0.0031391/step Wall: 12166, 0.0031391/step, 1.02021 hours remaining, 241.496094 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: 3830000 3995.5265 20411.8472 14488.9863 242.9730 -203825.8880 2558.9794 0.0000 0.0000 52106.2118 -110021.3637 299.4551 -162127.5755 -109657.8093 298.5399 -16.5683 9.3511 760471.9648 9.1828 9.2462 PRESSURE: 3830200 20.4037 -190.85 -212.539 -190.849 -55.9026 -234.375 -212.539 -234.376 297.668 GPRESSURE: 3830200 40.3602 -69.1211 -226.48 -208.766 -83.3255 -325.003 -165.098 -372.95 394.333 PRESSAVG: 3830200 -45.9643 -94.2006 0.515869 -94.2006 68.475 -28.9709 0.515914 -28.9708 11.8012 GPRESSAVG: 3830200 -46.0138 -94.8369 -1.74671 -94.7467 68.4385 -28.1153 -0.157076 -29.2278 11.8334 TIMING: 3830200 CPU: 12166.7, 0.00314288/step Wall: 12166.7, 0.00314288/step, 1.02126 hours remaining, 241.496094 MB of memory in use. ENERGY: 3830200 3977.3530 20588.6690 14405.1835 240.5758 -203375.0896 2383.6794 0.0000 0.0000 52136.3726 -109643.2563 299.6285 -161779.6289 -109284.6935 299.0347 87.3898 117.1227 759167.0470 11.4373 11.4194 PRESSURE: 3830400 -247.256 113.467 -324.029 113.467 -254.365 -156.371 -324.029 -156.371 -21.634 GPRESSURE: 3830400 -269.101 246.667 -317.609 168.929 -195.525 -154.336 -254.498 -62.3645 46.3547 PRESSAVG: 3830400 -48.8902 -51.2024 -2.56773 -51.2025 64.7074 -26.6544 -2.56776 -26.6545 -12.0914 GPRESSAVG: 3830400 -48.6091 -49.7885 0.420416 -51.6954 63.9984 -25.2453 -2.79827 -26.8734 -11.9127 TIMING: 3830400 CPU: 12167.3, 0.00313436/step Wall: 12167.3, 0.00313436/step, 1.01832 hours remaining, 241.496094 MB of memory in use. ENERGY: 3830400 3949.9248 20542.0930 14557.9886 250.0245 -203059.7305 2414.1585 0.0000 0.0000 51877.0076 -109468.5336 298.1379 -161345.5412 -109103.7306 299.0285 -174.4185 -139.4238 760250.4687 1.2419 1.1589 PRESSURE: 3830600 -351.849 150.414 331.226 150.415 -69.1643 -81.4927 331.228 -81.4935 -157.145 GPRESSURE: 3830600 -308.387 109.835 368.74 196.31 -32.4749 -176.005 256.929 34.4856 -148.619 PRESSAVG: 3830600 -30.7781 -8.24212 -39.1048 -8.24214 -15.4032 14.6191 -39.1048 14.6191 -5.58605 GPRESSAVG: 3830600 -30.6562 -9.08282 -41.8369 -6.33119 -15.5391 11.7405 -37.2626 15.7977 -5.35622 TIMING: 3830600 CPU: 12167.9, 0.00313901/step Wall: 12167.9, 0.00313901/step, 1.01965 hours remaining, 241.496094 MB of memory in use. ENERGY: 3830600 3988.9038 20513.9663 14486.9097 257.7070 -203427.0135 2581.5396 0.0000 0.0000 52224.2902 -109373.6969 300.1337 -161597.9871 -109010.6065 299.6312 -192.7197 -163.1602 762341.1068 -17.2558 -17.1838 PRESSURE: 3830800 133.46 6.90996 15.2827 6.90998 173.718 -357.743 15.284 -357.742 204.597 GPRESSURE: 3830800 208.157 -64.7113 -0.157937 -111.446 138.708 -269.171 -127.249 -193.785 233.6 PRESSAVG: 3830800 -10.0006 8.72356 27.8972 8.72356 -15.2228 -4.08922 27.8972 -4.08922 18.7854 GPRESSAVG: 3830800 -10.9949 9.36708 29.0898 7.08218 -14.4965 -2.09982 26.3697 -3.31862 18.9324 TIMING: 3830800 CPU: 12168.5, 0.00313452/step Wall: 12168.5, 0.00313452/step, 1.01802 hours remaining, 241.496094 MB of memory in use. ENERGY: 3830800 3979.8320 20638.8237 14468.3329 257.0428 -203472.3419 2579.8448 0.0000 0.0000 52089.1101 -109459.3557 299.3568 -161548.4657 -109091.5318 298.9924 170.5918 193.4883 760475.6744 -2.1460 -2.1863 PRESSURE: 3831000 642.934 -45.5546 -49.6067 -45.5542 365.88 142.279 -49.6071 142.281 576.456 GPRESSURE: 3831000 691.944 -73.8469 -121.069 4.79789 443.351 186.77 -73.2708 -9.63363 531.229 PRESSAVG: 3831000 78.7625 8.03433 -11.8555 8.0343 -36.7552 -23.6756 -11.8555 -23.6757 3.07062 GPRESSAVG: 3831000 78.4455 7.75043 -11.8427 9.54963 -36.8095 -24.1906 -12.1992 -27.0182 3.24157 TIMING: 3831000 CPU: 12169.2, 0.00315138/step Wall: 12169.2, 0.00315138/step, 1.02332 hours remaining, 241.496094 MB of memory in use. ENERGY: 3831000 3941.4323 20491.2826 14474.0503 261.2536 -203544.7372 2803.7367 0.0000 0.0000 52136.8750 -109436.1068 299.6313 -161572.9818 -109078.6460 299.0513 528.4235 555.5078 760196.9059 15.0260 14.9592 PRESSURE: 3831200 60.4935 -35.7869 46.3491 -35.7864 137.537 -226.563 46.3493 -226.564 208.494 GPRESSURE: 3831200 35.3534 -11.1751 38.775 -56.5361 174.367 -255.71 139.954 -127.491 276.692 PRESSAVG: 3831200 85.2459 -29.8683 20.9028 -29.8682 -59.3151 43.6243 20.9028 43.6244 -11.8853 GPRESSAVG: 3831200 85.4782 -28.6069 22.9836 -30.2277 -60.1128 43.2481 22.5024 46.2925 -11.0368 TIMING: 3831200 CPU: 12169.8, 0.00316735/step Wall: 12169.8, 0.00316735/step, 1.02833 hours remaining, 241.496094 MB of memory in use. ENERGY: 3831200 3938.1916 20661.9020 14499.7184 260.3952 -203499.8297 2665.8701 0.0000 0.0000 52121.5044 -109352.2480 299.5430 -161473.7525 -108985.8843 299.5027 135.5081 162.1373 760548.6557 4.6818 4.7762 PRESSURE: 3831400 354.474 -12.8073 -155.826 -12.8062 116.97 -237.897 -155.825 -237.897 -108.661 GPRESSURE: 3831400 407.326 -65.9138 -134.873 -50.9805 110.595 -185.097 -11.5998 -370.049 -59.4148 PRESSAVG: 3831400 44.6704 -59.8488 44.2659 -59.8488 -35.2468 -3.82567 44.2659 -3.82574 6.19134 GPRESSAVG: 3831400 44.0741 -59.7263 43.0187 -59.287 -34.9866 -2.73612 43.0859 -5.2945 6.67418 TIMING: 3831400 CPU: 12170.4, 0.00315923/step Wall: 12170.4, 0.00315923/step, 1.02552 hours remaining, 241.496094 MB of memory in use. ENERGY: 3831400 3971.8365 20575.8581 14584.0175 232.6988 -203488.4241 2535.4598 0.0000 0.0000 52007.0176 -109581.5359 298.8850 -161588.5535 -109208.6543 299.1664 120.9274 152.8356 760271.5453 5.2050 5.2539 PRESSURE: 3831600 -130.955 24.4696 -76.1728 24.47 -113.544 -112.907 -76.1718 -112.908 352.725 GPRESSURE: 3831600 -164.249 80.861 -114.453 8.87424 -27.3957 -103.454 -25.4581 -46.8307 392.183 PRESSAVG: 3831600 11.0009 -42.7777 48.5365 -42.7777 -19.9281 14.3754 48.5366 14.3754 6.04115 GPRESSAVG: 3831600 11.9166 -44.4261 47.9717 -43.0805 -20.6156 14.5497 47.0372 12.6327 4.87448 TIMING: 3831600 CPU: 12171.1, 0.00316061/step Wall: 12171.1, 0.00316061/step, 1.02579 hours remaining, 241.496094 MB of memory in use. ENERGY: 3831600 3924.8704 20553.6520 14504.1595 257.6754 -203459.1333 2520.1465 0.0000 0.0000 52042.0259 -109656.6035 299.0862 -161698.6294 -109294.2588 299.5203 36.0753 66.8463 759042.3191 -0.9620 -1.2748 PRESSURE: 3831800 -312.789 -106.981 56.3303 -106.981 -446.763 -234.486 56.3302 -234.485 42.548 GPRESSURE: 3831800 -277.968 -123.298 114.798 -146.448 -393.864 -230.328 -35.2065 -158.99 42.7433 PRESSAVG: 3831800 32.9007 -52.2106 41.269 -52.2107 -45.6026 -76.3756 41.269 -76.3756 -21.2996 GPRESSAVG: 3831800 33.5762 -50.8706 41.5246 -54.6669 -44.7727 -77.3714 42.9544 -72.9974 -22.472 TIMING: 3831800 CPU: 12171.7, 0.00317359/step Wall: 12171.7, 0.00317359/step, 1.02983 hours remaining, 241.496094 MB of memory in use. ENERGY: 3831800 4001.3481 20557.3179 14552.9681 259.8124 -203334.9973 2627.0138 0.0000 0.0000 51833.5784 -109502.9586 297.8883 -161336.5370 -109145.5774 299.0947 -239.0012 -209.6963 761073.0018 -11.3338 -11.2228 PRESSURE: 3832000 108.724 -99.5779 18.3653 -99.5776 175.756 55.0819 18.3655 55.0822 320.986 GPRESSURE: 3832000 125.84 -91.3627 36.3971 -154.647 283.849 60.737 96.1735 29.9136 287.014 PRESSAVG: 3832000 19.8821 -57.6208 11.7828 -57.6208 6.80907 7.41094 11.7827 7.41097 8.45801 GPRESSAVG: 3832000 18.3134 -58.8067 11.5159 -57.7313 7.34432 8.39602 11.6719 5.43418 8.79106 TIMING: 3832000 CPU: 12172.3, 0.00316569/step Wall: 12172.3, 0.00316569/step, 1.02709 hours remaining, 241.496094 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: 3832000 4027.9790 20395.5207 14532.9250 251.3123 -203358.2283 2659.3406 0.0000 0.0000 52021.0539 -109470.0968 298.9657 -161491.1507 -109109.4889 299.4157 201.8222 232.2346 760741.8990 11.7164 11.4829 PRESSURE: 3832200 -149.819 -233.825 106.39 -233.825 47.9474 142.628 106.391 142.629 247.312 GPRESSURE: 3832200 -195.951 -300.972 125.445 -167.713 154.33 289.255 195.325 -12.3016 272.867 PRESSAVG: 3832200 -38.6887 -78.1986 -6.36677 -78.1987 76.8526 7.18686 -6.36677 7.18694 15.4256 GPRESSAVG: 3832200 -39.6691 -77.3034 -6.1443 -76.3055 76.3975 6.57093 -5.92063 7.42297 16.1803 TIMING: 3832200 CPU: 12173, 0.00317502/step Wall: 12173, 0.00317502/step, 1.02994 hours remaining, 241.496094 MB of memory in use. ENERGY: 3832200 3960.1126 20402.1018 14556.0245 245.9854 -203491.7828 2494.3416 0.0000 0.0000 52137.6080 -109695.6089 299.6355 -161833.2169 -109336.0027 298.8460 48.4802 77.0820 760480.7574 17.8632 17.6362 LDB: ============= START OF LOAD BALANCING ============== 12185.4 LDB: ============== END OF LOAD BALANCING =============== 12185.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.4 LDB: ============= START OF LOAD BALANCING ============== 12185.7 LDB: Largest compute 7068 load 0.034681 is 17.8% of average load 0.195360 LDB: Average compute 0.004392 is 2.2% of average load 0.195360 LDB: TIME 12185.8 LOAD: AVG 0.19536 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.953 MB LDB: TIME 12185.8 LOAD: AVG 0.19536 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: TIME 12185.8 LOAD: AVG 0.19536 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.957 MB LDB: ============== END OF LOAD BALANCING =============== 12185.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.8 PRESSURE: 3832400 138.899 -128.4 111.738 -128.401 -260.466 43.4821 111.738 43.4817 -164.893 GPRESSURE: 3832400 49.4559 -181.793 53.545 -144.865 -124.881 14.4083 92.9019 3.45321 -112.278 PRESSAVG: 3832400 -74.2782 -64.4522 26.1749 -64.4522 87.9483 17.2216 26.1749 17.2217 12.5289 GPRESSAVG: 3832400 -74.0518 -64.4165 25.1535 -64.7235 87.8326 15.7009 25.4922 18.4091 12.6127 TIMING: 3832400 CPU: 12173.6, 0.00324314/step Wall: 12173.6, 0.00324314/step, 1.05186 hours remaining, 240.355469 MB of memory in use. ENERGY: 3832400 4022.7793 20402.6338 14576.6348 250.6653 -203381.6142 2565.2248 0.0000 0.0000 51900.7469 -109662.9293 298.2743 -161563.6762 -109310.3028 298.7310 -95.4864 -62.5680 761991.9907 8.7330 8.7978 PRESSURE: 3832600 -520.309 162.102 22.4594 162.102 -82.1598 -269.622 22.4585 -269.621 -536.535 GPRESSURE: 3832600 -384.045 192.406 -24.4885 126.343 -178.23 -234.613 55.408 -192.178 -489.438 PRESSAVG: 3832600 -37.1072 -21.8629 31.7772 -21.8628 26.8383 52.6126 31.7771 52.6126 1.53115 GPRESSAVG: 3832600 -34.9524 -22.7375 32.6491 -22.9902 26.7316 54.1097 30.5819 50.6841 0.114726 TIMING: 3832600 CPU: 12174.3, 0.00315758/step Wall: 12174.3, 0.00315758/step, 1.02393 hours remaining, 240.355469 MB of memory in use. ENERGY: 3832600 3994.5388 20384.8303 14512.3521 234.7579 -203183.7704 2541.9941 0.0000 0.0000 51754.6794 -109760.6179 297.4349 -161515.2973 -109392.7581 298.6664 -379.6678 -350.5711 761742.3962 -2.9126 -2.7020 PRESSURE: 3832800 54.3991 -248.204 155.73 -248.204 189.205 -41.133 155.731 -41.1343 -17.1956 GPRESSURE: 3832800 102.276 -213.415 107.387 -221.91 139.479 -63.2406 110.856 -84.3162 55.3939 PRESSAVG: 3832800 -1.10908 -22.7414 -16.797 -22.7414 -22.8697 16.7406 -16.7971 16.7406 -13.5477 GPRESSAVG: 3832800 -2.07198 -21.9729 -17.0286 -22.3244 -22.569 17.1102 -16.3098 17.8788 -12.6194 TIMING: 3832800 CPU: 12174.9, 0.0031526/step Wall: 12174.9, 0.0031526/step, 1.02214 hours remaining, 240.355469 MB of memory in use. ENERGY: 3832800 4007.5312 20422.4309 14492.1032 249.5330 -203452.1704 2694.0153 0.0000 0.0000 51959.6547 -109626.9020 298.6128 -161586.5568 -109270.1916 298.9166 75.4694 99.0497 760489.3188 -12.5088 -12.4201 PRESSURE: 3833000 5.60259 -143.41 118.587 -143.41 -92.4098 -107.979 118.586 -107.979 132.408 GPRESSURE: 3833000 76.2171 -224.659 170.087 -240.788 -7.62487 -82.9941 130.876 -23.8552 62.7354 PRESSAVG: 3833000 18.9287 -58.9948 5.72966 -58.9948 -32.9714 36.329 5.72968 36.329 20.2181 GPRESSAVG: 3833000 17.5992 -60.0813 6.14651 -58.3819 -31.331 36.7262 7.13444 36.6691 19.6585 TIMING: 3833000 CPU: 12175.5, 0.00315574/step Wall: 12175.5, 0.00315574/step, 1.02298 hours remaining, 240.355469 MB of memory in use. ENERGY: 3833000 3996.9629 20469.5782 14498.1920 245.1209 -203210.5875 2388.7695 0.0000 0.0000 52167.2641 -109444.7000 299.8060 -161611.9641 -109086.1872 299.0810 15.2003 43.7759 759376.5403 2.0585 1.9756 PRESSURE: 3833200 308.143 264.147 137.903 264.147 -48.015 137.43 137.902 137.431 -103.137 GPRESSURE: 3833200 364.104 220.263 182.831 290.824 50.5 100.99 67.8641 3.65447 -161.413 PRESSAVG: 3833200 47.5481 -76.0647 -37.6343 -76.0647 -6.46756 -20.8393 -37.6343 -20.8392 -33.4054 GPRESSAVG: 3833200 49.9361 -76.3696 -36.4877 -75.7335 -9.03782 -22.8334 -38.6114 -21.9132 -33.436 TIMING: 3833200 CPU: 12176.1, 0.00315559/step Wall: 12176.1, 0.00315559/step, 1.02276 hours remaining, 240.355469 MB of memory in use. ENERGY: 3833200 3976.7197 20523.1893 14553.5697 251.8563 -203149.0825 2589.0216 0.0000 0.0000 51870.1239 -109384.6020 298.0983 -161254.7260 -109024.9885 299.3348 52.3302 84.3970 761510.2460 2.5584 2.4874 PRESSURE: 3833400 208.545 -35.933 -153.811 -35.9334 -73.8132 92.2013 -153.81 92.2002 206.968 GPRESSURE: 3833400 288.298 -104.944 -155.086 47.1311 -104.01 128.139 -112.933 135.778 254.777 PRESSAVG: 3833400 55.8733 -46.9428 -56.941 -46.9428 -65.2655 21.3482 -56.9409 21.3482 15.9034 GPRESSAVG: 3833400 55.0737 -47.1723 -58.3797 -48.3347 -64.2053 21.6284 -57.5546 21.088 16.1091 TIMING: 3833400 CPU: 12176.8, 0.00315255/step Wall: 12176.8, 0.00315255/step, 1.0216 hours remaining, 240.355469 MB of memory in use. ENERGY: 3833400 4042.2776 20525.2597 14487.1786 244.8982 -203472.1492 2595.2963 0.0000 0.0000 52315.4685 -109261.7703 300.6577 -161577.2388 -108907.3966 299.5731 113.8999 146.3550 762020.0264 2.1704 2.3258 PRESSURE: 3833600 -211.092 206.457 -317.747 206.457 267.314 -58.4584 -317.747 -58.4595 -264.246 GPRESSURE: 3833600 -223.689 226.644 -371.141 165.165 352.05 -78.7971 -300.478 -54.7498 -268.935 PRESSAVG: 3833600 -24.1942 -3.84806 -48.8511 -3.8481 23.7225 20.4901 -48.8511 20.4902 0.875543 GPRESSAVG: 3833600 -25.6857 -1.89162 -48.4203 -2.72826 24.455 21.9148 -47.8962 21.8533 1.17779 TIMING: 3833600 CPU: 12177.4, 0.00315327/step Wall: 12177.4, 0.00315327/step, 1.02166 hours remaining, 240.355469 MB of memory in use. ENERGY: 3833600 3972.2598 20498.4504 14472.5654 279.2458 -203151.3800 2354.6630 0.0000 0.0000 52306.9058 -109267.2898 300.6085 -161574.1955 -108914.3454 299.6684 -69.3413 -46.8579 760919.7747 0.1346 -0.0176 PRESSURE: 3833800 340.188 -165.278 -155.953 -165.278 -36.9647 103.802 -155.953 103.803 37.8909 GPRESSURE: 3833800 275.928 -196.148 -222.921 -123.094 95.5543 14.5041 -144.181 153.221 70.2526 PRESSAVG: 3833800 35.4749 -38.0243 -35.1928 -38.0243 -12.1887 1.52418 -35.1928 1.52426 7.39163 GPRESSAVG: 3833800 35.6512 -37.3314 -34.971 -40.9407 -12.7046 0.541276 -34.1457 -0.432101 7.54119 TIMING: 3833800 CPU: 12178, 0.00314143/step Wall: 12178, 0.00314143/step, 1.01765 hours remaining, 240.355469 MB of memory in use. ENERGY: 3833800 3919.8596 20516.4522 14631.5190 273.9936 -203393.3941 2609.9496 0.0000 0.0000 52296.9208 -109144.6992 300.5511 -161441.6200 -108782.1499 300.5905 113.7048 147.2450 760284.9180 10.2260 10.1626 PRESSURE: 3834000 164.933 74.541 49.7207 74.5408 -0.299984 -126.228 49.7212 -126.226 -61.46 GPRESSURE: 3834000 142.757 93.7283 48.3614 128.381 31.6054 -110.295 203.416 -116.029 4.70306 PRESSAVG: 3834000 -2.17377 -23.1994 49.0647 -23.1995 -19.251 -8.86751 49.0647 -8.86746 -13.0536 GPRESSAVG: 3834000 -0.712075 -24.5765 49.2271 -20.4406 -19.1915 -9.05625 49.3007 -6.64305 -14.6514 TIMING: 3834000 CPU: 12178.7, 0.00314847/step Wall: 12178.7, 0.00314847/step, 1.01976 hours remaining, 240.355469 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: 3834000 4002.4595 20615.8349 14574.6796 248.4771 -203589.0293 2728.8373 0.0000 0.0000 52213.2638 -109205.4771 300.0703 -161418.7410 -108843.8335 299.7953 34.3909 59.6883 760111.4109 -11.4928 -11.5183 PRESSURE: 3834200 -192.697 -154.156 48.4678 -154.157 182.492 111.624 48.4678 111.625 260.595 GPRESSURE: 3834200 -160.231 -112.758 -34.2688 -141.623 245.408 104.849 131.514 -23.7891 267.002 PRESSAVG: 3834200 15.8998 18.3723 19.488 18.3723 0.406984 -43.9317 19.488 -43.9317 3.97717 GPRESSAVG: 3834200 14.8418 18.2402 18.4321 19.4107 -0.410912 -44.3486 19.7709 -45.3061 5.68102 TIMING: 3834200 CPU: 12179.3, 0.00316025/step Wall: 12179.3, 0.00316025/step, 1.02339 hours remaining, 240.355469 MB of memory in use. ENERGY: 3834200 3846.1892 20610.1292 14495.4625 247.7292 -203017.9041 2314.1075 0.0000 0.0000 52281.7549 -109222.5315 300.4640 -161504.2865 -108868.7366 299.8134 83.4632 117.3927 759263.2745 6.7613 6.7040 PRESSURE: 3834400 128.406 33.3444 30.2459 33.3438 306.198 27.1017 30.2462 27.102 219.152 GPRESSURE: 3834400 141.933 84.0264 66.156 -2.70708 337.012 33.6419 -9.97518 -32.394 255.887 PRESSAVG: 3834400 21.728 1.9575 34.3569 1.95757 -7.35486 4.2391 34.3569 4.23906 -12.251 GPRESSAVG: 3834400 20.8088 0.421854 35.4242 1.7812 -7.5933 3.88219 31.1677 5.00848 -11.7647 TIMING: 3834400 CPU: 12179.9, 0.00316185/step Wall: 12179.9, 0.00316185/step, 1.02374 hours remaining, 240.355469 MB of memory in use. ENERGY: 3834400 3928.7173 20511.0519 14539.9444 260.7747 -203106.8743 2518.3513 0.0000 0.0000 52029.7844 -109318.2504 299.0159 -161348.0348 -108958.3496 299.9578 217.9189 244.9439 761673.2520 0.7074 0.4836 PRESSURE: 3834600 -46.2233 4.33863 71.2628 4.33858 3.62448 56.1229 71.2629 56.1223 441.117 GPRESSURE: 3834600 70.9735 -33.0774 59.3135 102.05 -3.31051 36.1634 255.475 73.8527 425.45 PRESSAVG: 3834600 -3.63184 -19.8505 26.6804 -19.8505 9.56561 38.0796 26.6804 38.0797 21.498 GPRESSAVG: 3834600 -2.57206 -18.8853 27.815 -19.8911 9.99344 39.2966 29.6431 36.6632 20.5991 TIMING: 3834600 CPU: 12180.6, 0.00314999/step Wall: 12180.6, 0.00314999/step, 1.01972 hours remaining, 240.355469 MB of memory in use. ENERGY: 3834600 3955.4128 20577.5381 14536.1670 235.5506 -203126.6646 2264.5234 0.0000 0.0000 52205.7724 -109351.7002 300.0273 -161557.4726 -108978.0435 299.1947 132.8393 164.3709 761058.7781 9.1439 9.3402 PRESSURE: 3834800 -322.19 -170.609 153.131 -170.609 99.2479 -42.0016 153.13 -42.002 105.289 GPRESSURE: 3834800 -333.967 -54.322 187.222 -70.4551 128.25 -70.3115 3.57332 -18.2834 190.81 PRESSAVG: 3834800 -45.9521 -30.8357 17.9613 -30.8357 26.8582 -4.68733 17.9613 -4.68737 -14.0355 GPRESSAVG: 3834800 -47.2449 -29.9645 15.577 -31.2355 26.6762 -3.94944 18.4248 -2.8295 -12.748 TIMING: 3834800 CPU: 12181.2, 0.00317425/step Wall: 12181.2, 0.00317425/step, 1.0274 hours remaining, 240.355469 MB of memory in use. ENERGY: 3834800 3959.9824 20326.4428 14562.5284 239.7535 -203310.8193 2702.9886 0.0000 0.0000 52196.3216 -109322.8020 299.9730 -161519.1236 -108961.9613 299.5565 -39.2179 -4.9687 761412.5654 -11.0431 -11.1056 PRESSURE: 3835000 -65.7481 123.693 204.799 123.692 -179.72 -81.2864 204.798 -81.2857 -191.475 GPRESSURE: 3835000 -13.1142 86.3629 159.464 146.063 -80.2599 -50.4357 190.347 60.7999 -252.481 PRESSAVG: 3835000 -19.6119 5.61161 46.3523 5.61152 22.2307 -26.4565 46.3523 -26.4564 4.11408 GPRESSAVG: 3835000 -18.4282 3.49622 46.677 6.90694 22.6509 -26.1451 45.4958 -28.6236 3.00601 TIMING: 3835000 CPU: 12181.8, 0.00316286/step Wall: 12181.8, 0.00316286/step, 1.02354 hours remaining, 240.355469 MB of memory in use. ENERGY: 3835000 4049.6990 20483.8155 14533.6422 250.1808 -203152.5166 2421.7475 0.0000 0.0000 52110.9464 -109302.4851 299.4823 -161413.4315 -108941.1848 299.5100 -145.6478 -115.2851 761772.6072 2.2443 2.4096 PRESSURE: 3835200 99.3343 -145.257 -153.076 -145.257 -18.7737 52.7955 -153.077 52.7954 282.096 GPRESSURE: 3835200 180.285 -108.567 -68.0364 -88.0009 22.5879 104.598 -184.114 -3.90838 245.055 PRESSAVG: 3835200 -5.48581 -45.6878 24.6388 -45.6879 -3.42301 54.5346 24.6388 54.5347 3.76664 GPRESSAVG: 3835200 -5.41387 -44.3414 24.3106 -47.7631 -4.18117 53.647 23.6233 55.2058 4.4142 TIMING: 3835200 CPU: 12182.5, 0.00316578/step Wall: 12182.5, 0.00316578/step, 1.02431 hours remaining, 240.355469 MB of memory in use. ENERGY: 3835200 3941.8093 20539.7739 14507.7243 247.9952 -203203.1798 2519.9706 0.0000 0.0000 52191.0874 -109254.8191 299.9429 -161445.9065 -108898.1256 300.0065 120.8857 149.3093 762346.2112 -1.7141 -1.7269 PRESSURE: 3835400 148.368 136.847 -84.6508 136.848 219.382 292.468 -84.6507 292.469 -21.6761 GPRESSURE: 3835400 119.703 76.3402 -109.508 161.522 212.386 187.56 -139.978 263.708 79.1558 PRESSAVG: 3835400 19.7632 -57.1663 7.94244 -57.1663 -25.5973 70.0223 7.94246 70.0224 -9.62953 GPRESSAVG: 3835400 19.4144 -56.8016 10.3401 -56.5265 -25.7942 70.57 6.97672 69.1783 -9.5765 TIMING: 3835400 CPU: 12183.1, 0.00318018/step Wall: 12183.1, 0.00318018/step, 1.02879 hours remaining, 240.355469 MB of memory in use. ENERGY: 3835400 4034.5872 20509.4830 14535.6827 230.4863 -203130.3111 2401.2501 0.0000 0.0000 52220.4984 -109198.3234 300.1119 -161418.8218 -108838.3116 299.9066 115.3580 137.0817 760381.2009 -5.1545 -5.3188 PRESSURE: 3835600 -120.14 -102.568 -23.2667 -102.569 -263.161 58.3372 -23.2658 58.3379 -25.7612 GPRESSURE: 3835600 -114.179 15.1404 -75.9528 -78.4594 -184.661 104.065 166.828 -7.69067 -8.50681 PRESSAVG: 3835600 18.7932 -31.3412 61.1055 -31.3412 18.328 78.4096 61.1055 78.4096 22.5019 GPRESSAVG: 3835600 18.1714 -30.0042 59.1059 -30.3324 20.7682 77.7751 63.3197 79.8027 20.8992 TIMING: 3835600 CPU: 12183.7, 0.00317022/step Wall: 12183.7, 0.00317022/step, 1.02539 hours remaining, 240.355469 MB of memory in use. ENERGY: 3835600 3944.8203 20435.7387 14463.4718 241.1125 -202881.9611 2262.5589 0.0000 0.0000 52532.5749 -109001.6840 301.9054 -161534.2588 -108632.4121 299.9451 -136.3540 -102.4489 762203.5630 19.8744 19.9463 PRESSURE: 3835800 34.7392 90.231 203.522 90.2305 329.847 -18.5093 203.522 -18.509 247.783 GPRESSURE: 3835800 92.7745 122.088 166.454 76.269 381.228 -34.7922 50.6886 14.9845 239.457 PRESSAVG: 3835800 10.3163 7.90585 56.9399 7.90583 -45.1472 -23.1959 56.9399 -23.1959 -17.9145 GPRESSAVG: 3835800 11.0267 8.26633 57.198 6.62004 -46.6836 -23.7007 55.0545 -22.397 -17.628 TIMING: 3835800 CPU: 12184.4, 0.003163/step Wall: 12184.4, 0.003163/step, 1.02288 hours remaining, 240.355469 MB of memory in use. ENERGY: 3835800 3991.5478 20452.2941 14494.2176 267.4303 -203308.6315 2859.4560 0.0000 0.0000 52436.7411 -108806.9445 301.3547 -161243.6857 -108437.1409 300.3021 204.1229 237.8200 761611.3944 -17.5818 -17.7616 PRESSURE: 3836000 426.631 -4.73214 155.68 -4.73241 -125.703 -244.434 155.679 -244.435 -101.532 GPRESSURE: 3836000 359.836 86.9363 154.804 -43.4757 -57.4288 -161.535 282.372 -202.878 -0.109523 PRESSAVG: 3836000 34.3739 -18.3968 4.1775 -18.3968 -18.7109 2.49335 4.17747 2.49332 14.751 GPRESSAVG: 3836000 34.6539 -21.192 3.51524 -17.0536 -18.6132 2.75993 4.69951 2.27083 14.6441 TIMING: 3836000 CPU: 12185, 0.00315412/step Wall: 12185, 0.00315412/step, 1.01983 hours remaining, 240.355469 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: 3836000 4019.1576 20591.5773 14429.5512 262.8983 -202654.7448 2433.8143 0.0000 0.0000 52073.5480 -108844.1980 299.2674 -160917.7460 -108487.2621 300.4606 66.4654 100.7657 761996.5147 10.1380 10.2283 PRESSURE: 3836200 -227.094 14.1851 -37.7497 14.1853 181.654 -12.2024 -37.7507 -12.2025 99.0436 GPRESSURE: 3836200 -112.196 34.7336 6.00378 18.9573 207.295 -74.6029 -102.511 -1.47849 37.2526 PRESSAVG: 3836200 -5.08136 -29.7286 -4.46281 -29.7286 -9.69704 -57.9331 -4.46278 -57.9332 14.9308 GPRESSAVG: 3836200 -5.98084 -28.5322 -4.49755 -31.0109 -8.80339 -59.0594 -4.77105 -57.5417 14.8896 TIMING: 3836200 CPU: 12185.6, 0.00316948/step Wall: 12185.6, 0.00316948/step, 1.02462 hours remaining, 240.355469 MB of memory in use. ENERGY: 3836200 3986.1597 20555.5601 14389.9371 252.9761 -203141.7705 2739.2497 0.0000 0.0000 52201.6873 -109016.2005 300.0038 -161217.8878 -108647.5496 301.1278 17.8676 44.1171 762580.9483 0.0508 0.0351 LDB: ============= START OF LOAD BALANCING ============== 12198.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12198.1 LDB: =============== DONE WITH MIGRATION ================ 12198.1 LDB: ============= START OF LOAD BALANCING ============== 12198.4 LDB: Largest compute 7034 load 0.034842 is 17.8% of average load 0.195393 LDB: Average compute 0.004366 is 2.2% of average load 0.195393 LDB: TIME 12198.4 LOAD: AVG 0.195393 MAX 0.216963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 12198.4 LOAD: AVG 0.195393 MAX 0.216963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 12198.4 LOAD: AVG 0.195393 MAX 0.216963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 12198.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12198.4 PRESSURE: 3836400 22.0211 88.271 81.5659 88.2708 -125.02 132.624 81.5657 132.625 95.9375 GPRESSURE: 3836400 29.6633 71.7932 62.4317 61.7217 -3.63206 148.42 71.4396 66.0631 58.1814 PRESSAVG: 3836400 -28.1872 -4.14433 -39.1596 -4.14431 -25.7694 -12.5096 -39.1596 -12.5096 8.27188 GPRESSAVG: 3836400 -27.1593 -6.00998 -38.7932 -3.24653 -27.1891 -11.5796 -37.6966 -12.8985 8.42517 TIMING: 3836400 CPU: 12186.3, 0.00325751/step Wall: 12186.3, 0.00325751/step, 1.0529 hours remaining, 240.550781 MB of memory in use. ENERGY: 3836400 4001.9955 20428.0472 14482.0744 253.9556 -202916.9198 2621.2516 0.0000 0.0000 52194.3346 -108935.2608 299.9616 -161129.5954 -108566.0643 300.5200 -2.3538 28.0709 762920.2820 -15.2282 -15.3078 PRESSURE: 3836600 -34.0402 -3.30757 -235.337 -3.30919 169.045 23.4764 -235.337 23.475 198.157 GPRESSURE: 3836600 -6.90764 -54.7052 -144.434 -2.2447 191.916 5.38527 -177.034 -60.7204 228.537 PRESSAVG: 3836600 -64.4741 42.8898 -10.4219 42.8898 10.8196 -9.33995 -10.4219 -9.3399 -11.8186 GPRESSAVG: 3836600 -64.8934 46.6825 -9.57963 42.6062 11.6934 -9.40431 -11.9782 -9.22667 -12.2515 TIMING: 3836600 CPU: 12186.9, 0.00319407/step Wall: 12186.9, 0.00319407/step, 1.03222 hours remaining, 240.753906 MB of memory in use. ENERGY: 3836600 3920.0153 20652.6610 14549.0777 224.9433 -203166.1941 2563.7590 0.0000 0.0000 52426.1444 -108829.5933 301.2938 -161255.7377 -108467.0312 300.5755 111.0541 137.8483 762058.9242 -21.8244 -21.8172 PRESSURE: 3836800 169.401 -46.5027 25.385 -46.5025 113.894 86.3516 25.3846 86.3515 6.00052 GPRESSURE: 3836800 191.176 -70.6818 -55.2232 -54.0689 157.242 64.0058 55.8086 18.3525 30.0155 PRESSAVG: 3836800 16.0478 -19.9741 7.39933 -19.974 -23.661 53.9937 7.39935 53.9937 8.35724 GPRESSAVG: 3836800 16.1233 -20.1681 6.30407 -21.0168 -23.9858 54.3762 8.87333 54.2809 8.62268 TIMING: 3836800 CPU: 12187.6, 0.00318296/step Wall: 12187.6, 0.00318296/step, 1.02845 hours remaining, 240.753906 MB of memory in use. ENERGY: 3836800 3897.2881 20614.5118 14471.5903 256.2135 -203226.4761 2531.6675 0.0000 0.0000 52517.7718 -108937.4330 301.8204 -161455.2048 -108568.5191 301.2622 96.4320 126.1445 760134.7068 0.2480 0.2534 PRESSURE: 3837000 234.122 30.22 166.088 30.2201 -271.626 62.4684 166.087 62.4678 71.3552 GPRESSURE: 3837000 270.668 25.1308 92.0982 -1.28628 -217.734 132.55 3.40539 148.818 83.6342 PRESSAVG: 3837000 18.8711 28.8516 31.4558 28.8516 29.9269 35.1907 31.4557 35.1906 14.8453 GPRESSAVG: 3837000 19.0778 29.082 31.8797 28.807 29.6386 35.718 28.6713 33.6878 14.7728 TIMING: 3837000 CPU: 12188.2, 0.00314399/step Wall: 12188.2, 0.00314399/step, 1.01568 hours remaining, 240.753906 MB of memory in use. ENERGY: 3837000 3948.7869 20635.5200 14475.4334 245.8570 -203477.9127 2838.1162 0.0000 0.0000 52216.7550 -109117.4440 300.0904 -161334.1991 -108755.2309 300.9384 11.2836 45.5226 761803.9870 21.2144 21.1630 PRESSURE: 3837200 -279.899 53.7171 107.083 53.7165 -188.256 -46.3515 107.082 -46.3525 -220.21 GPRESSURE: 3837200 -277.314 -89.0635 96.5995 42.14 -156.562 -54.4044 67.5907 9.9828 -157.715 PRESSAVG: 3837200 13.4969 -7.19115 15.407 -7.19109 23.6537 22.4654 15.407 22.4654 -1.4788 GPRESSAVG: 3837200 12.9902 -7.88684 16.1696 -6.71392 24.3276 21.9678 15.2092 23.7967 -1.66021 TIMING: 3837200 CPU: 12188.8, 0.00315803/step Wall: 12188.8, 0.00315803/step, 1.02004 hours remaining, 240.753906 MB of memory in use. ENERGY: 3837200 3941.5548 20392.4888 14530.0114 245.2495 -203048.2046 2356.2062 0.0000 0.0000 52338.3023 -109244.3917 300.7889 -161582.6939 -108875.0846 300.4164 -229.4549 -197.1967 761222.0760 11.8906 11.8859 PRESSURE: 3837400 -102.17 67.6868 -147.469 67.6861 21.409 -133.44 -147.469 -133.439 -27.2809 GPRESSURE: 3837400 -108.639 191.738 -181.918 62.1422 57.296 -176.274 -145.185 -50.2655 37.7805 PRESSAVG: 3837400 2.79687 -27.3902 -26.9155 -27.3902 11.0616 -18.1321 -26.9154 -18.1321 -3.47666 GPRESSAVG: 3837400 2.38753 -27.4001 -28.1848 -28.9275 10.7463 -19.4145 -26.1386 -18.1282 -3.66043 TIMING: 3837400 CPU: 12189.5, 0.00319346/step Wall: 12189.5, 0.00319345/step, 1.03131 hours remaining, 240.753906 MB of memory in use. ENERGY: 3837400 3969.9703 20515.5519 14506.6406 246.9896 -202935.1155 2331.4862 0.0000 0.0000 52001.2970 -109363.1799 298.8522 -161364.4769 -108995.1955 299.6125 -36.0141 -4.5208 762136.3702 3.4606 3.1578 PRESSURE: 3837600 118.481 11.6786 -55.0116 11.6778 75.116 -12.748 -55.0106 -12.7474 64.4181 GPRESSURE: 3837600 231.325 -50.7153 40.3672 -56.3069 53.1081 -64.9326 -4.14282 80.4617 66.6195 PRESSAVG: 3837600 69.2144 39.3963 -30.2695 39.3964 -46.7576 -34.3336 -30.2695 -34.3337 7.12641 GPRESSAVG: 3837600 70.1818 38.8736 -28.0639 39.0209 -47.4739 -33.005 -29.646 -33.3747 6.82807 TIMING: 3837600 CPU: 12190.1, 0.00316359/step Wall: 12190.1, 0.00316359/step, 1.02149 hours remaining, 240.753906 MB of memory in use. ENERGY: 3837600 3938.3099 20537.8074 14398.4052 236.7076 -203228.3069 2545.3426 0.0000 0.0000 52357.4635 -109214.2707 300.8991 -161571.7343 -108853.7560 299.0844 86.0051 117.0175 760272.1551 9.8610 9.8453 PRESSURE: 3837800 230.617 -118.907 -245.929 -118.907 -211.753 216.388 -245.928 216.387 378.943 GPRESSURE: 3837800 229.387 -182.596 -346.235 -55.841 -118.892 142.123 -191.311 213.092 364.84 PRESSAVG: 3837800 15.8572 41.3796 -65.2714 41.3796 11.984 -4.12686 -65.2714 -4.12689 -14.7464 GPRESSAVG: 3837800 16.4738 41.2898 -65.7907 41.9541 10.9618 -4.46273 -66.8784 -5.60375 -14.9501 TIMING: 3837800 CPU: 12190.7, 0.00314953/step Wall: 12190.7, 0.00314953/step, 1.01677 hours remaining, 240.753906 MB of memory in use. ENERGY: 3837800 4021.4218 20565.0482 14462.2465 259.5646 -203497.0455 2566.1470 0.0000 0.0000 52426.3161 -109196.3013 301.2948 -161622.6174 -108840.1807 299.6220 132.6023 158.4452 760721.3914 4.3650 4.1618 PRESSURE: 3838000 148.927 -46.2306 -137.477 -46.2305 -119.33 -106.747 -137.478 -106.749 162.857 GPRESSURE: 3838000 148.727 -148.174 -150.615 21.9154 -56.7309 -167.02 -116.566 -151.482 180.11 PRESSAVG: 3838000 5.27865 -44.0161 -96.4486 -44.0161 -6.25131 -4.18864 -96.4486 -4.18862 5.48838 GPRESSAVG: 3838000 5.38862 -43.5708 -94.9128 -43.8894 -6.27483 -3.70862 -93.8329 -2.8286 5.002 TIMING: 3838000 CPU: 12191.3, 0.00314341/step Wall: 12191.3, 0.00314341/step, 1.01462 hours remaining, 240.753906 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: 3838000 3990.7454 20506.9208 14506.9795 250.7254 -203190.2608 2455.6467 0.0000 0.0000 52152.9014 -109326.3418 299.7234 -161479.2432 -108971.9038 299.8652 64.1513 90.7020 760904.7443 1.5052 1.3719 PRESSURE: 3838200 -210.255 -6.50751 -12.3748 -6.50729 -313.588 -68.7004 -12.3746 -68.7001 -476.886 GPRESSURE: 3838200 -276.854 108.775 -66.3009 15.0566 -250.859 -120.594 -73.9 -53.8616 -396.928 PRESSAVG: 3838200 -9.66974 4.0634 -39.4779 4.06337 -33.0584 32.3586 -39.4779 32.3586 -7.66734 GPRESSAVG: 3838200 -10.1842 2.6326 -41.8789 5.59551 -32.9369 32.3662 -39.7437 31.9823 -7.60749 TIMING: 3838200 CPU: 12192, 0.00317222/step Wall: 12192, 0.00317222/step, 1.02375 hours remaining, 240.753906 MB of memory in use. ENERGY: 3838200 4041.4840 20431.1441 14559.6035 245.5237 -203031.3025 2161.8664 0.0000 0.0000 51999.2714 -109592.4094 298.8405 -161591.6808 -109229.0812 299.5800 -333.5762 -308.2137 760562.1317 -16.7985 -16.9096 PRESSURE: 3838400 173.259 -56.9499 37.8657 -56.9503 -195.944 -20.1473 37.8657 -20.1473 146.229 GPRESSURE: 3838400 193.59 -63.8035 27.9104 -167.957 -77.7607 37.1671 115.633 47.3564 95.3153 PRESSAVG: 3838400 -4.02411 -2.83346 -38.8154 -2.83347 15.1851 94.1448 -38.8154 94.1447 20.8413 GPRESSAVG: 3838400 -5.46409 -2.032 -38.8725 -3.75952 15.0253 94.0257 -38.0321 92.5033 22.0502 TIMING: 3838400 CPU: 12192.6, 0.00317097/step Wall: 12192.6, 0.00317097/step, 1.02317 hours remaining, 240.753906 MB of memory in use. ENERGY: 3838400 4022.4450 20387.5960 14550.3122 249.4470 -203550.6497 2619.2403 0.0000 0.0000 52139.3965 -109582.2125 299.6458 -161721.6091 -109217.9095 299.1235 41.1809 70.3814 762167.2576 10.6674 10.5371 PRESSURE: 3838600 -160.628 156.584 -321.838 156.585 -424.093 148.513 -321.838 148.512 296.98 GPRESSURE: 3838600 -123.906 174.812 -224.299 225.54 -396.141 140.467 -258.654 114.162 316.715 PRESSAVG: 3838600 30.7516 -46.7359 -64.6647 -46.736 10.5767 31.1979 -64.6647 31.198 7.47432 GPRESSAVG: 3838600 30.4768 -46.8587 -64.7832 -46.4833 10.732 29.7727 -63.9641 33.2184 6.87158 TIMING: 3838600 CPU: 12193.2, 0.00314865/step Wall: 12193.2, 0.00314865/step, 1.01579 hours remaining, 240.753906 MB of memory in use. ENERGY: 3838600 4103.3333 20221.4748 14438.6761 251.3032 -203222.3240 2389.8927 0.0000 0.0000 52398.2470 -109419.3969 301.1334 -161817.6439 -109049.4958 299.3968 -95.9137 -67.7775 762523.4472 16.2675 16.0268 PRESSURE: 3838800 -318.958 100.994 191.191 100.993 161.569 42.0715 191.192 42.0709 201.459 GPRESSURE: 3838800 -374.052 118.689 121.753 29.4097 223.596 -27.4669 69.0161 -28.5428 264.592 PRESSAVG: 3838800 33.464 -36.3828 -35.5264 -36.3828 -15.6784 7.75033 -35.5264 7.75025 -8.65457 GPRESSAVG: 3838800 33.4346 -37.386 -34.9879 -35.8755 -16.1399 7.56062 -36.6426 6.39216 -8.16253 TIMING: 3838800 CPU: 12193.9, 0.00316294/step Wall: 12193.9, 0.00316294/step, 1.02022 hours remaining, 240.753906 MB of memory in use. ENERGY: 3838800 4067.2279 20501.5979 14564.4267 230.3832 -203625.1577 2768.9970 0.0000 0.0000 52164.4931 -109328.0320 299.7901 -161492.5251 -108968.3450 299.3337 14.6901 38.0453 761397.5557 3.0437 3.0440 PRESSURE: 3839000 -193.259 159.206 -76.1451 159.206 7.12974 -3.52094 -76.1463 -3.52052 -294.931 GPRESSURE: 3839000 -160.133 62.0289 -50.0208 194.027 62.9478 2.56234 -14.0302 -130.149 -282.912 PRESSAVG: 3839000 -13.0284 -1.85519 -21.3734 -1.85518 -4.56303 0.509387 -21.3734 0.509387 7.33833 GPRESSAVG: 3839000 -12.6063 -1.00946 -22.1841 -1.01395 -4.99245 1.61188 -21.573 0.17252 7.31006 TIMING: 3839000 CPU: 12194.5, 0.00317887/step Wall: 12194.5, 0.00317887/step, 1.02519 hours remaining, 240.753906 MB of memory in use. ENERGY: 3839000 3970.4552 20338.7422 14513.0607 236.7025 -203271.1200 2537.9894 0.0000 0.0000 52401.5132 -109272.6568 301.1522 -161674.1700 -108900.5071 299.7469 -160.3533 -126.6990 761221.7963 -3.4177 -3.4296 PRESSURE: 3839200 -191.882 -68.1974 -72.417 -68.1975 -206.522 -11.7882 -72.4164 -11.7873 -109.935 GPRESSURE: 3839200 -101.337 -99.3698 -89.1761 -267.181 -191.115 -5.87815 -34.348 -10.6758 -129.058 PRESSAVG: 3839200 -41.0862 -21.6437 -55.9109 -21.6437 35.2601 -23.1584 -55.9109 -23.1583 11.6203 GPRESSAVG: 3839200 -41.5045 -22.2746 -55.3267 -24.3965 35.845 -23.5502 -55.5635 -23.5496 11.4693 TIMING: 3839200 CPU: 12195.1, 0.00317147/step Wall: 12195.1, 0.00317147/step, 1.02262 hours remaining, 240.753906 MB of memory in use. ENERGY: 3839200 3988.7627 20513.6209 14480.9352 258.6312 -203434.0106 2610.9164 0.0000 0.0000 52148.0517 -109433.0925 299.6956 -161581.1442 -109068.2338 300.2020 -169.4464 -140.5031 759967.9608 1.9314 1.9366 PRESSURE: 3839400 201.778 -0.98161 59.0919 -0.980247 -132.728 -120.997 59.092 -120.996 256.787 GPRESSURE: 3839400 161.973 -56.7899 60.3612 72.4464 -29.4022 -140.531 58.4157 -249.718 255.465 PRESSAVG: 3839400 13.4697 -45.0333 0.157217 -45.0333 -17.3452 -27.0122 0.157234 -27.0123 -15.8788 GPRESSAVG: 3839400 13.2712 -44.9453 0.886059 -42.7806 -16.8407 -25.945 0.044793 -27.9771 -15.8333 TIMING: 3839400 CPU: 12195.8, 0.00318513/step Wall: 12195.8, 0.00318513/step, 1.02685 hours remaining, 240.753906 MB of memory in use. ENERGY: 3839400 4052.9429 20542.0279 14452.9886 240.1220 -203175.2147 2379.8632 0.0000 0.0000 52038.7362 -109468.5339 299.0673 -161507.2702 -109106.3749 299.5498 108.6120 129.3451 759094.3319 -6.5847 -6.4676 PRESSURE: 3839600 252.27 -75.3782 16.3861 -75.3781 -25.4698 -114.24 16.386 -114.239 79.9279 GPRESSURE: 3839600 214.341 -0.592726 84.4023 46.8719 72.0974 -196.8 70.8072 5.54033 68.1034 PRESSAVG: 3839600 43.5778 -61.242 2.13846 -61.242 -6.63549 16.2562 2.13845 16.2562 9.46395 GPRESSAVG: 3839600 44.1475 -59.7633 2.17084 -62.6985 -7.18109 15.0391 1.6801 17.3988 8.81306 TIMING: 3839600 CPU: 12196.4, 0.00320901/step Wall: 12196.4, 0.00320901/step, 1.03437 hours remaining, 240.753906 MB of memory in use. ENERGY: 3839600 4023.6904 20759.8280 14499.2710 240.0766 -203619.8684 2664.1071 0.0000 0.0000 51990.6809 -109442.2144 298.7912 -161432.8953 -109086.8852 299.5962 102.2426 118.1806 758877.5762 15.4688 15.2598 PRESSURE: 3839800 226.3 197.455 -173.437 197.454 -1.09675 -41.1485 -173.437 -41.1487 -262.047 GPRESSURE: 3839800 258.606 197.88 -141.023 84.8825 22.1709 -9.72917 -230.363 -102.752 -255.999 PRESSAVG: 3839800 -16.8556 -27.2226 -5.64846 -27.2226 -15.083 -47.5183 -5.6484 -47.5183 -9.26699 GPRESSAVG: 3839800 -17.2834 -24.5086 -5.88149 -27.6022 -15.7421 -45.4778 -4.78275 -45.7904 -8.75602 TIMING: 3839800 CPU: 12197.1, 0.00318494/step Wall: 12197.1, 0.00318494/step, 1.02643 hours remaining, 240.753906 MB of memory in use. ENERGY: 3839800 4001.1472 20602.6156 14415.7584 264.0880 -203402.3844 2491.0077 0.0000 0.0000 51907.7444 -109720.0231 298.3145 -161627.7675 -109363.8863 299.4817 -12.2814 8.2594 759085.0816 -13.7352 -13.9272 PRESSURE: 3840000 205.513 14.5088 -201.95 14.5093 330.368 38.3281 -201.95 38.3281 -39.0872 GPRESSURE: 3840000 264.427 -38.526 -223.126 -46.4204 284.608 43.5645 -173.229 -13.9521 41.3368 PRESSAVG: 3840000 0.970244 -43.8235 -23.5138 -43.8235 14.9602 -29.3465 -23.5137 -29.3465 18.0249 GPRESSAVG: 3840000 0.524221 -47.1297 -24.9865 -41.5398 14.147 -32.5557 -25.0889 -30.1579 19.1157 TIMING: 3840000 CPU: 12197.7, 0.00320095/step Wall: 12197.7, 0.00320095/step, 1.03142 hours remaining, 240.753906 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: 3840000 3947.1260 20787.5295 14437.1393 252.1942 -203516.5776 2679.8939 0.0000 0.0000 52021.4289 -109391.2658 298.9679 -161412.6947 -109027.4165 299.6277 165.5981 196.7906 758948.0464 11.3185 11.2623 PRESSURE: 3840200 111.896 -8.16283 123.546 -8.16266 100.845 113.963 123.545 113.964 -19.0246 GPRESSURE: 3840200 221.574 -83.4467 74.9457 -80.7924 71.6548 114.095 260.134 202.816 -1.53212 PRESSAVG: 3840200 -45.9085 -83.0474 14.8008 -83.0474 15.4255 -23.1352 14.8008 -23.1352 -7.7371 GPRESSAVG: 3840200 -44.272 -82.181 17.2331 -83.9852 16.1002 -21.9616 16.1125 -22.1047 -9.75232 TIMING: 3840200 CPU: 12198.3, 0.00318266/step Wall: 12198.3, 0.00318266/step, 1.02535 hours remaining, 240.753906 MB of memory in use. ENERGY: 3840200 3995.0496 20539.5769 14426.1188 234.2064 -203765.6198 2840.3134 0.0000 0.0000 52290.1354 -109440.2192 300.5121 -161730.3547 -109066.6194 299.7911 64.5720 97.2321 760292.8749 -12.7400 -12.6414 LDB: ============= START OF LOAD BALANCING ============== 12210.8 LDB: ============== END OF LOAD BALANCING =============== 12210.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12210.8 LDB: ============= START OF LOAD BALANCING ============== 12211.1 LDB: Largest compute 7032 load 0.035056 is 17.9% of average load 0.195391 LDB: Average compute 0.004384 is 2.2% of average load 0.195391 LDB: TIME 12211.1 LOAD: AVG 0.195391 MAX 0.21506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 12211.1 LOAD: AVG 0.195391 MAX 0.21506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.359 MB LDB: TIME 12211.1 LOAD: AVG 0.195391 MAX 0.21506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.359 MB LDB: ============== END OF LOAD BALANCING =============== 12211.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12211.1 PRESSURE: 3840400 537.016 -32.2266 -46.5447 -32.2262 106.174 -169.056 -46.5454 -169.055 30.8526 GPRESSURE: 3840400 536.828 -105.642 -102.494 -12.2875 164.341 -156.014 -64.4792 -20.703 53.034 PRESSAVG: 3840400 23.9079 -71.7031 20.2537 -71.7031 -3.59706 60.4774 20.2537 60.4773 -0.062606 GPRESSAVG: 3840400 23.4505 -71.3893 17.8809 -72.5484 -3.3874 60.0463 20.1016 60.2482 0.172605 TIMING: 3840400 CPU: 12199, 0.00322433/step Wall: 12199, 0.00322433/step, 1.03859 hours remaining, 240.039062 MB of memory in use. ENERGY: 3840400 4032.2339 20633.0022 14479.5021 250.3270 -203145.7306 2391.1187 0.0000 0.0000 52016.5365 -109343.0102 298.9397 -161359.5467 -108985.4288 300.0113 224.6808 251.4010 760105.6561 6.7494 6.7452 PRESSURE: 3840600 98.5768 -27.2442 11.9179 -27.244 -131.25 -110.804 11.9177 -110.804 36.6917 GPRESSURE: 3840600 60.8731 -107.693 57.741 -100.425 -5.97395 -153.454 -124.999 -123.193 27.0302 PRESSAVG: 3840600 26.2968 -64.8155 -34.6519 -64.8156 17.974 29.5616 -34.6518 29.5615 6.56454 GPRESSAVG: 3840600 25.7976 -65.6601 -33.7681 -64.6544 18.2115 30.8794 -35.4946 28.778 6.44847 TIMING: 3840600 CPU: 12199.6, 0.00318228/step Wall: 12199.6, 0.00318228/step, 1.02487 hours remaining, 240.039062 MB of memory in use. ENERGY: 3840600 3995.9312 20647.6951 14463.4275 256.2000 -203774.6244 2580.9438 0.0000 0.0000 52459.7324 -109370.6944 301.4868 -161830.4268 -109006.0044 300.0380 1.3393 27.3098 759589.6007 16.9451 16.8192 PRESSURE: 3840800 -175.265 -140.783 -123.601 -140.783 48.4306 124.628 -123.6 124.628 87.3309 GPRESSURE: 3840800 -48.248 -115.815 -173.331 -111.608 92.5877 180.652 -66.1864 106.873 5.84776 PRESSAVG: 3840800 70.5993 -84.4057 26.825 -84.4057 -54.7035 6.80622 26.825 6.80622 35.4044 GPRESSAVG: 3840800 70.723 -83.0767 27.4312 -85.0197 -53.9196 6.23944 25.6796 5.19272 34.7535 TIMING: 3840800 CPU: 12200.3, 0.00318604/step Wall: 12200.3, 0.00318604/step, 1.0259 hours remaining, 240.039062 MB of memory in use. ENERGY: 3840800 4035.1720 20499.5860 14527.2814 236.1589 -203233.9169 2212.6217 0.0000 0.0000 52271.5513 -109451.5458 300.4053 -161723.0970 -109077.2620 299.7675 -13.1678 16.7291 759795.0281 17.1000 17.1856 PRESSURE: 3841000 541.764 -210.261 151.398 -210.261 -312.591 100.187 151.398 100.187 6.09581 GPRESSURE: 3841000 494.313 -79.0021 186.18 -118.798 -187.713 116.588 150.544 21.2778 1.95064 PRESSAVG: 3841000 18.8652 -26.9716 -20.894 -26.9716 3.06596 14.0841 -20.894 14.084 6.48036 GPRESSAVG: 3841000 19.7517 -28.6679 -21.7631 -23.9318 1.39524 13.8893 -19.6998 15.0951 7.21533 TIMING: 3841000 CPU: 12200.9, 0.00319106/step Wall: 12200.9, 0.00319106/step, 1.02734 hours remaining, 240.039062 MB of memory in use. ENERGY: 3841000 4046.0721 20481.6283 14524.0213 252.4220 -203597.8291 2399.4478 0.0000 0.0000 52207.9631 -109686.2745 300.0399 -161894.2376 -109316.1206 299.8685 78.4226 102.8503 758678.5040 9.4705 9.4541 PRESSURE: 3841200 280.968 101.053 -87.0265 101.052 131.12 -26.1837 -87.0272 -26.1846 178.88 GPRESSURE: 3841200 394.837 137.766 -16.5233 13.5857 124.621 -89.8836 77.8391 7.17204 180.045 PRESSAVG: 3841200 15.418 -17.2185 11.5753 -17.2184 -3.76949 5.04529 11.5752 5.04525 2.83552 GPRESSAVG: 3841200 14.1223 -15.3209 11.8654 -19.7968 -2.36113 4.63459 13.9265 4.64592 2.68823 TIMING: 3841200 CPU: 12201.5, 0.00318756/step Wall: 12201.5, 0.00318756/step, 1.02604 hours remaining, 240.039062 MB of memory in use. ENERGY: 3841200 3853.6771 20324.3291 14492.1169 247.7252 -203725.2373 2688.0840 0.0000 0.0000 52266.8692 -109852.4358 300.3784 -162119.3050 -109488.5772 298.8797 196.9894 233.1678 759562.6660 4.8280 4.8165 PRESSURE: 3841400 169.023 -172.222 39.6679 -172.222 -217.707 36.2484 39.6682 36.2487 76.1316 GPRESSURE: 3841400 241.134 41.5368 -81.9863 -130.373 -158.963 -58.6726 -105.964 83.6675 24.8906 PRESSAVG: 3841400 -42.5369 -15.9443 -42.5091 -15.9442 11.1167 12.0449 -42.5092 12.045 9.03351 GPRESSAVG: 3841400 -41.6363 -16.298 -43.1889 -16.06 9.6181 12.2992 -43.1989 12.4142 9.50594 TIMING: 3841400 CPU: 12202.2, 0.00316133/step Wall: 12202.2, 0.00316133/step, 1.01742 hours remaining, 240.039062 MB of memory in use. ENERGY: 3841400 3965.5728 20516.8346 14465.1244 245.7401 -203766.5157 2721.5816 0.0000 0.0000 51959.0396 -109892.6226 298.6093 -161851.6622 -109527.7249 298.3981 9.1493 35.6871 760051.5571 -7.4623 -7.5041 PRESSURE: 3841600 -135.019 -30.2061 165.696 -30.2056 69.228 7.21153 165.696 7.21257 31.7797 GPRESSURE: 3841600 -131.917 -38.6345 111.604 -32.6676 152.443 48.26 193.056 -133.511 34.851 PRESSAVG: 3841600 -5.52669 24.9208 -22.8567 24.9208 12.5742 12.2305 -22.8567 12.2305 3.49871 GPRESSAVG: 3841600 -5.52293 25.3226 -22.6541 23.8342 13.5516 11.454 -23.0735 13.2882 2.40081 TIMING: 3841600 CPU: 12202.8, 0.00318173/step Wall: 12202.8, 0.00318173/step, 1.02381 hours remaining, 240.039062 MB of memory in use. ENERGY: 3841600 3922.0180 20608.6503 14477.4086 246.2714 -203797.3383 2525.5277 0.0000 0.0000 51795.7383 -110221.7241 297.6708 -162017.4623 -109862.8012 298.8190 -11.3370 18.4590 758365.0955 3.5154 3.4765 PRESSURE: 3841800 -329.509 103.381 -185.462 103.381 225.558 -125.925 -185.462 -125.923 231.675 GPRESSURE: 3841800 -212.404 113.817 -112.594 -1.29425 315.282 -87.2339 -160.293 -2.78479 95.0509 PRESSAVG: 3841800 -26.327 -1.87907 -8.61187 -1.87906 54.8012 -2.68343 -8.61185 -2.68335 26.1107 GPRESSAVG: 3841800 -27.5041 -1.31692 -8.10667 -0.402859 54.5208 -0.573544 -9.1573 -3.23942 26.9298 TIMING: 3841800 CPU: 12203.4, 0.00316914/step Wall: 12203.4, 0.00316914/step, 1.01958 hours remaining, 240.039062 MB of memory in use. ENERGY: 3841800 4095.2851 20589.1879 14491.4898 242.4026 -203473.4291 2362.0326 0.0000 0.0000 51545.8883 -110147.1429 296.2349 -161693.0312 -109790.9054 298.1458 42.5747 65.9762 759542.9745 18.1949 17.9822 PRESSURE: 3842000 -235.867 113.941 -35.0973 113.94 98.8321 64.4852 -35.0962 64.4836 324.482 GPRESSURE: 3842000 -145.733 0.0458875 -30.2825 122.134 102.053 59.3388 -67.6297 99.572 319.499 PRESSAVG: 3842000 -17.1226 -4.93384 -65.7601 -4.93393 44.9793 -37.2046 -65.7601 -37.2046 -13.885 GPRESSAVG: 3842000 -16.8975 -5.02931 -64.8306 -7.30148 45.0007 -38.7657 -65.6188 -35.2514 -13.7905 TIMING: 3842000 CPU: 12204.1, 0.00314718/step Wall: 12204.1, 0.00314718/step, 1.01234 hours remaining, 240.039062 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: 3842000 4003.2081 20561.1311 14419.3958 247.2324 -204000.9907 2581.5756 0.0000 0.0000 51965.8367 -110222.6111 298.6484 -162188.4478 -109867.9896 298.5370 62.4824 91.9399 758368.2174 4.6573 4.7709 PRESSURE: 3842200 -73.1389 -63.6618 130.394 -63.6613 -79.3984 -8.62297 130.395 -8.62273 159.196 GPRESSURE: 3842200 -101.67 -64.9571 173.132 -6.83034 39.9778 -35.2695 123.583 31.853 152.202 PRESSAVG: 3842200 -43.6665 17.877 -18.3203 17.877 15.3124 21.1361 -18.3203 21.1361 0.811298 GPRESSAVG: 3842200 -42.1147 16.411 -20.0065 18.2938 14.0694 21.6285 -18.1837 20.2621 0.755133 TIMING: 3842200 CPU: 12204.7, 0.00314679/step Wall: 12204.7, 0.00314679/step, 1.01204 hours remaining, 240.039062 MB of memory in use. ENERGY: 3842200 4061.0873 20563.8580 14484.4554 248.6221 -203277.1853 2100.5277 0.0000 0.0000 51653.4830 -110165.1518 296.8533 -161818.6348 -109801.0416 297.9543 2.2195 30.1696 759788.6648 -9.1809 -9.0967 PRESSURE: 3842400 -750.049 -155.026 -443.771 -155.027 14.8963 3.12162 -443.771 3.12096 -50.4622 GPRESSURE: 3842400 -632.804 -149.357 -404.258 -108.94 5.54256 152.522 -347.495 17.641 -70.2598 PRESSAVG: 3842400 -32.4592 -42.9231 -22.6851 -42.9231 48.2425 0.672268 -22.6851 0.672191 -17.6122 GPRESSAVG: 3842400 -32.7094 -43.975 -23.6539 -41.3562 47.9382 0.822619 -22.9714 0.435316 -17.3764 TIMING: 3842400 CPU: 12205.3, 0.00315961/step Wall: 12205.3, 0.00315961/step, 1.01599 hours remaining, 240.039062 MB of memory in use. ENERGY: 3842400 3942.5630 20372.9613 14478.2588 259.0112 -203561.7342 2299.6040 0.0000 0.0000 52085.4362 -110123.8997 299.3357 -162209.3359 -109755.7150 298.2388 -261.8717 -232.5072 759713.9704 -0.6096 -0.7159 PRESSURE: 3842600 -161.318 246.569 71.8939 246.569 -127.316 18.061 71.8949 18.0607 -361.279 GPRESSURE: 3842600 -90.6338 124.521 -1.64887 313.884 -179.882 -6.00951 92.9513 28.1348 -305.689 PRESSAVG: 3842600 58.7902 -18.9427 1.133 -18.9427 -42.2118 14.6242 1.13302 14.6242 -1.39145 GPRESSAVG: 3842600 59.946 -16.5485 1.31787 -20.1181 -42.401 13.4281 2.02673 13.6936 -2.30526 TIMING: 3842600 CPU: 12206, 0.00313694/step Wall: 12206, 0.00313694/step, 1.00853 hours remaining, 240.039062 MB of memory in use. ENERGY: 3842600 3925.5896 20517.4537 14394.3841 247.9268 -203489.3484 2296.9782 0.0000 0.0000 51992.2149 -110114.8012 298.8000 -162107.0161 -109742.2102 298.6341 -216.6378 -192.0682 759983.4134 5.0623 5.0799 PRESSURE: 3842800 35.3716 207.961 -23.9975 207.962 -6.77747 4.67426 -23.9981 4.67521 -429.822 GPRESSURE: 3842800 -3.73788 205.069 -108.805 126.907 112.047 62.0803 -69.9534 51.0282 -425.586 PRESSAVG: 3842800 6.89647 -9.47353 -23.986 -9.47349 5.00085 0.437053 -23.9861 0.437009 22.0326 GPRESSAVG: 3842800 7.02922 -12.8039 -25.4595 -7.42954 4.10004 1.56296 -25.6481 0.136492 22.4177 TIMING: 3842800 CPU: 12206.6, 0.0031591/step Wall: 12206.6, 0.0031591/step, 1.01548 hours remaining, 240.039062 MB of memory in use. ENERGY: 3842800 4025.0208 20414.8032 14482.7968 248.9668 -203241.2937 2172.9993 0.0000 0.0000 51770.4840 -110126.2228 297.5257 -161896.7068 -109769.6342 298.5352 -133.7425 -105.7587 758631.8838 11.3100 11.1823 PRESSURE: 3843000 -154.296 -340.147 71.7659 -340.146 -81.0797 -248.101 71.766 -248.102 542.785 GPRESSURE: 3843000 -124.706 -294.616 96.9752 -188.825 6.56494 -244.516 4.761 -240.913 513.981 PRESSAVG: 3843000 -0.617053 -8.25123 8.15895 -8.25125 -19.5038 44.657 8.15889 44.657 8.94392 GPRESSAVG: 3843000 -2.17028 -4.23089 9.68748 -10.7781 -17.8336 43.4525 7.09727 43.4895 8.4631 TIMING: 3843000 CPU: 12207.2, 0.00311948/step Wall: 12207.2, 0.00311948/step, 1.00256 hours remaining, 240.039062 MB of memory in use. ENERGY: 3843000 3970.7079 20326.2170 14455.5396 239.8748 -203801.4736 2709.1933 0.0000 0.0000 51923.5741 -110176.3670 298.4055 -162099.9411 -109802.6461 298.3561 102.4699 131.9467 759931.7510 -3.7256 -3.8469 PRESSURE: 3843200 -388.792 15.5072 -190.483 15.5069 -107.761 196.88 -190.483 196.88 -66.5732 GPRESSURE: 3843200 -328.994 30.9178 -184.298 -17.6291 -29.3013 106.32 -97.424 315.711 -98.3521 PRESSAVG: 3843200 -8.67052 -20.2737 29.8916 -20.2737 13.8134 75.9903 29.8915 75.9903 23.3246 GPRESSAVG: 3843200 -8.56384 -23.0859 30.6298 -17.6306 13.4754 75.6307 29.9282 77.7695 23.7781 TIMING: 3843200 CPU: 12207.8, 0.00313463/step Wall: 12207.8, 0.00313463/step, 1.00726 hours remaining, 240.039062 MB of memory in use. ENERGY: 3843200 4061.7463 20495.3011 14486.0964 260.5164 -203658.5885 2432.2174 0.0000 0.0000 51820.1099 -110102.6010 297.8109 -161922.7109 -109749.6986 298.3150 -187.7085 -152.2158 760991.8673 9.4892 9.5632 PRESSURE: 3843400 -184.808 147.55 -199.843 147.55 -311.014 -256.075 -199.844 -256.073 136.993 GPRESSURE: 3843400 -138.407 109.06 -206.093 119.572 -281.532 -209.279 -154.552 -366.234 148.163 PRESSAVG: 3843400 7.45331 37.0135 12.3618 37.0135 -4.84243 43.231 12.3618 43.231 -18.7464 GPRESSAVG: 3843400 7.19651 38.0447 12.0347 35.2417 -4.56892 43.2528 14.1186 43.5828 -18.964 TIMING: 3843400 CPU: 12208.5, 0.00314028/step Wall: 12208.5, 0.00314028/step, 1.0089 hours remaining, 240.039062 MB of memory in use. ENERGY: 3843400 4063.1816 20376.9055 14404.9790 260.0417 -203406.1638 2546.4025 0.0000 0.0000 51792.0024 -109962.6510 297.6493 -161754.6535 -109600.9423 298.2808 -119.6096 -90.5918 761136.8799 -5.3785 -5.4455 PRESSURE: 3843600 -230.147 -163.983 150.212 -163.982 128.374 -63.737 150.211 -63.7364 124.49 GPRESSURE: 3843600 -140.053 -211.966 285.353 -112.212 132.101 -45.31 117.637 -9.4536 110.691 PRESSAVG: 3843600 -16.1246 12.6264 26.052 12.6264 24.5603 9.25951 26.052 9.25949 36.6084 GPRESSAVG: 3843600 -17.306 11.9 25.181 14.2545 25.5271 8.72213 25.3427 9.35271 37.0605 TIMING: 3843600 CPU: 12209.1, 0.00313927/step Wall: 12209.1, 0.00313927/step, 1.0084 hours remaining, 240.039062 MB of memory in use. ENERGY: 3843600 3956.6808 20295.2157 14447.0485 239.8146 -203850.2549 2733.2741 0.0000 0.0000 52258.7632 -109919.4580 300.3318 -162178.2212 -109557.1621 298.5922 7.5722 34.2461 760248.2669 15.0147 15.0938 PRESSURE: 3843800 -31.0688 -10.2519 68.912 -10.2521 25.4323 -155.363 68.9113 -155.363 -108.321 GPRESSURE: 3843800 0.84589 -2.18839 37.5518 8.35926 -3.48824 -103.044 95.2759 -94.5546 -12.1504 PRESSAVG: 3843800 -16.8952 -27.8278 -8.23133 -27.8278 4.70448 6.43397 -8.23134 6.43393 1.66095 GPRESSAVG: 3843800 -16.5946 -27.7916 -6.61829 -30.4328 3.81572 6.56417 -7.71733 6.73832 2.08731 TIMING: 3843800 CPU: 12209.7, 0.00314043/step Wall: 12209.7, 0.00314043/step, 1.0086 hours remaining, 240.039062 MB of memory in use. ENERGY: 3843800 4010.5718 20102.6537 14469.0839 241.3872 -203026.8170 2399.8525 0.0000 0.0000 51889.1867 -109914.0813 298.2079 -161803.2679 -109550.8555 298.4146 -37.9859 -4.9309 760783.3692 -3.5099 -3.5639 PRESSURE: 3844000 -36.3481 -130.618 112.061 -130.618 -13.695 51.2492 112.061 51.2492 -398.155 GPRESSURE: 3844000 14.8064 -232.541 135.55 -14.9787 13.9895 -57.5822 203.346 -12.859 -412.031 PRESSAVG: 3844000 -2.972 -11.5573 -10.8893 -11.5573 -23.0513 9.22641 -10.8893 9.22645 1.35627 GPRESSAVG: 3844000 -1.73558 -12.7249 -11.3035 -10.0302 -23.9533 9.58705 -11.3329 8.47684 0.724484 TIMING: 3844000 CPU: 12210.3, 0.00314402/step Wall: 12210.3, 0.00314402/step, 1.00958 hours remaining, 240.039062 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: 3844000 3965.0393 20498.9877 14467.7479 228.1385 -202785.5330 2145.6594 0.0000 0.0000 51579.1204 -109900.8397 296.4259 -161479.9601 -109547.4833 299.0236 -149.3992 -127.7451 760537.8651 -8.2224 -8.3215 PRESSURE: 3844200 -270.661 -175.47 117.679 -175.471 0.577357 43.0851 117.678 43.0841 -56.1961 GPRESSURE: 3844200 -142.445 -154.526 94.7207 -227.567 -56.538 53.1904 51.5034 112.179 -34.1655 PRESSAVG: 3844200 6.44319 -39.4911 72.6243 -39.491 36.7905 -4.04432 72.6243 -4.0443 -0.853149 GPRESSAVG: 3844200 8.59775 -37.8001 71.1952 -39.502 35.7308 -2.75179 73.8214 -3.94256 -1.49768 TIMING: 3844200 CPU: 12211, 0.00312484/step Wall: 12211, 0.00312484/step, 1.00325 hours remaining, 240.039062 MB of memory in use. ENERGY: 3844200 3988.8541 20442.1120 14344.8528 237.1067 -203225.6095 2380.0091 0.0000 0.0000 52081.8294 -109750.8454 299.3150 -161832.6748 -109383.0744 298.5984 -108.7598 -77.7163 759670.2183 14.1269 14.2770 LDB: ============= START OF LOAD BALANCING ============== 12223.4 LDB: ============== END OF LOAD BALANCING =============== 12223.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12223.4 LDB: ============= START OF LOAD BALANCING ============== 12223.7 LDB: Largest compute 7025 load 0.035464 is 18.2% of average load 0.195382 LDB: Average compute 0.004362 is 2.2% of average load 0.195382 LDB: TIME 12223.7 LOAD: AVG 0.195382 MAX 0.216901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.094 MB LDB: TIME 12223.7 LOAD: AVG 0.195382 MAX 0.216901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: TIME 12223.7 LOAD: AVG 0.195382 MAX 0.216901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: ============== END OF LOAD BALANCING =============== 12223.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12223.8 PRESSURE: 3844400 -440.561 -133.707 111.968 -133.708 -248.946 -67.2157 111.969 -67.2164 47.9048 GPRESSURE: 3844400 -505.093 -98.0628 194.326 -151.715 -163.077 -22.0239 -0.775384 -180.257 106.704 PRESSAVG: 3844400 23.3643 1.31571 20.7025 1.31571 -9.42111 -0.918214 20.7025 -0.918215 0.860029 GPRESSAVG: 3844400 22.4768 0.716629 22.8134 1.03151 -8.51261 -1.13383 17.9327 -1.78928 1.06029 TIMING: 3844400 CPU: 12211.6, 0.00321605/step Wall: 12211.6, 0.00321605/step, 1.03235 hours remaining, 240.605469 MB of memory in use. ENERGY: 3844400 3987.3466 20361.7552 14422.5372 237.4218 -203381.1725 2448.7664 0.0000 0.0000 51898.2240 -110025.1213 298.2598 -161923.3453 -109661.4338 298.1783 -213.8671 -187.1556 761279.1530 4.9344 5.0082 PRESSURE: 3844600 -46.8382 -295.108 11.4822 -295.108 -343.099 -27.4455 11.4817 -27.4452 -494.221 GPRESSURE: 3844600 -59.7552 -224.616 -111.092 -315.565 -218.337 -48.814 41.6695 46.7287 -519.719 PRESSAVG: 3844600 39.0118 -21.3438 -13.7841 -21.3438 -47.5957 -30.4719 -13.784 -30.472 -6.78567 GPRESSAVG: 3844600 37.824 -22.2816 -14.6257 -21.7334 -47.4025 -32.1244 -11.999 -27.8322 -6.51543 TIMING: 3844600 CPU: 12212.2, 0.00314553/step Wall: 12212.2, 0.00314553/step, 1.00954 hours remaining, 240.605469 MB of memory in use. ENERGY: 3844600 3933.9603 20467.5334 14433.6470 233.7152 -203221.6221 2512.1474 0.0000 0.0000 51708.2794 -109932.3393 297.1682 -161640.6187 -109570.8942 298.1615 -294.7192 -265.9373 762348.5624 -5.1232 -5.3647 PRESSURE: 3844800 302.406 -69.9554 -155.616 -69.9557 344.547 44.5487 -155.616 44.5482 287.588 GPRESSURE: 3844800 396.487 -42.0715 -62.2577 -176.464 357.48 40.9892 -152.658 34.1374 270.533 PRESSAVG: 3844800 20.2946 -56.4325 -5.4064 -56.4325 27.7553 14.6981 -5.40637 14.6981 16.9241 GPRESSAVG: 3844800 20.2624 -54.6526 -5.45029 -57.1431 27.14 16.4038 -3.98703 11.5217 17.8421 TIMING: 3844800 CPU: 12212.9, 0.00315541/step Wall: 12212.9, 0.00315541/step, 1.01253 hours remaining, 240.605469 MB of memory in use. ENERGY: 3844800 3897.6045 20532.9038 14418.0405 256.0082 -204140.0867 3034.6164 0.0000 0.0000 52037.2452 -109963.6680 299.0588 -162000.9132 -109610.6222 298.0633 311.5136 341.5001 760068.4363 21.6580 21.7482 PRESSURE: 3845000 9.75351 201.303 -311.37 201.303 -23.2632 21.2211 -311.37 21.2218 -148.741 GPRESSURE: 3845000 -9.20259 77.4419 -329.552 116.249 51.0732 -16.0805 -198.728 -34.1475 -119.897 PRESSAVG: 3845000 -29.6938 -28.1561 5.21325 -28.1561 45.9321 -0.383925 5.2132 -0.383945 -10.8071 GPRESSAVG: 3845000 -28.7603 -29.4215 6.10461 -26.1747 44.8525 -1.40562 4.28593 0.48115 -11.3943 TIMING: 3845000 CPU: 12213.5, 0.00314966/step Wall: 12213.5, 0.00314966/step, 1.01052 hours remaining, 240.605469 MB of memory in use. ENERGY: 3845000 4031.6134 20556.0446 14419.7584 242.0368 -203562.6114 2686.3510 0.0000 0.0000 51582.9870 -110043.8203 296.4481 -161626.8073 -109694.6746 298.6014 -54.0836 -26.0087 760167.4684 1.8104 1.5660 PRESSURE: 3845200 178.94 -21.1651 141.749 -21.1646 -108.695 -43.6198 141.748 -43.6201 15.3955 GPRESSURE: 3845200 98.0799 44.2464 146.378 45.8966 12.3285 -87.9267 169.557 35.7324 66.1621 PRESSAVG: 3845200 -6.33527 9.4266 8.16291 9.42659 -19.6372 -75.9495 8.16287 -75.9495 -3.42601 GPRESSAVG: 3845200 -7.45617 11.3856 8.36651 8.47862 -18.7019 -76.0912 8.75141 -74.4392 -3.03315 TIMING: 3845200 CPU: 12214.1, 0.0031644/step Wall: 12214.1, 0.0031644/step, 1.01507 hours remaining, 240.605469 MB of memory in use. ENERGY: 3845200 4013.6473 20523.4224 14417.2709 252.5880 -203375.1445 2545.9673 0.0000 0.0000 51823.2716 -109798.9770 297.8291 -161622.2486 -109431.4562 298.4718 28.5471 58.8568 760548.1591 -9.7995 -9.7304 PRESSURE: 3845400 171.164 4.2444 -177.255 4.24479 -365.311 5.89497 -177.255 5.89518 -687.935 GPRESSURE: 3845400 201.919 -59.7046 -248.337 -16.0979 -363.089 156.935 -91.0752 -24.2885 -611.983 PRESSAVG: 3845400 27.9551 -2.12884 9.47867 -2.12885 -63.595 23.9844 9.47866 23.9844 12.1402 GPRESSAVG: 3845400 28.0766 -2.99769 9.53843 -0.532813 -62.7541 23.521 7.80631 24.2766 10.9332 TIMING: 3845400 CPU: 12214.8, 0.00316408/step Wall: 12214.8, 0.00316408/step, 1.01479 hours remaining, 240.605469 MB of memory in use. ENERGY: 3845400 3973.1559 20442.6085 14325.3395 248.7205 -203115.6371 2250.5672 0.0000 0.0000 52030.3983 -109844.8471 299.0194 -161875.2454 -109477.9625 298.9573 -294.0276 -257.7175 759523.0990 -7.8333 -7.9148 PRESSURE: 3845600 -313.169 132.488 123.611 132.487 -115.577 81.6107 123.611 81.6116 -74.2183 GPRESSURE: 3845600 -226.229 89.3442 223.743 73.651 -99.5825 118.433 30.0155 87.9303 -79.1934 PRESSAVG: 3845600 19.6765 30.3575 -1.00835 30.3575 -9.06351 -16.9836 -1.00838 -16.9837 2.93419 GPRESSAVG: 3845600 20.0298 30.2464 -0.967157 27.7306 -10.4323 -14.4116 -0.0316936 -19.5431 3.62481 TIMING: 3845600 CPU: 12215.4, 0.00314821/step Wall: 12215.4, 0.00314821/step, 1.00953 hours remaining, 240.605469 MB of memory in use. ENERGY: 3845600 4008.9373 20453.1550 14468.9606 244.7244 -203316.0531 2439.4102 0.0000 0.0000 52101.5594 -109599.3062 299.4284 -161700.8657 -109227.1890 299.5062 -167.6548 -135.0015 759037.5466 4.5157 4.4074 PRESSURE: 3845800 -200.763 20.3629 48.8643 20.3618 100.757 -340.809 48.8641 -340.81 -371.448 GPRESSURE: 3845800 -183.971 -44.7267 35.0114 29.1097 132.677 -382.794 45.6682 -294.354 -320.891 PRESSAVG: 3845800 43.8806 -24.3161 -52.871 -24.316 -5.52277 -26.716 -52.8711 -26.716 -13.0053 GPRESSAVG: 3845800 43.5252 -23.8348 -52.82 -23.0317 -5.27294 -29.8768 -54.0817 -25.5039 -12.7225 TIMING: 3845800 CPU: 12216, 0.00314628/step Wall: 12216, 0.00314628/step, 1.00873 hours remaining, 240.605469 MB of memory in use. ENERGY: 3845800 4061.5676 20456.3223 14484.9616 257.0388 -203290.3956 2597.5941 0.0000 0.0000 51891.1851 -109541.7261 298.2194 -161432.9112 -109179.5974 299.3047 -157.1512 -124.0617 760178.2098 8.4509 8.5099 PRESSURE: 3846000 35.6999 -8.15056 62.0629 -8.15011 23.2466 -139.855 62.0629 -139.855 -249.298 GPRESSURE: 3846000 43.1741 -7.19903 112.633 -61.7618 91.8202 -142.703 107.177 -171.052 -235.711 PRESSAVG: 3846000 23.5622 -39.3175 -2.70623 -39.3175 -2.32278 -42.4452 -2.70625 -42.4452 20.8903 GPRESSAVG: 3846000 23.4319 -41.0209 -2.26964 -38.7844 -2.12142 -42.1976 -2.32892 -41.2953 20.6445 TIMING: 3846000 CPU: 12216.7, 0.00317123/step Wall: 12216.7, 0.00317123/step, 1.01656 hours remaining, 240.605469 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: 3846000 3919.9824 20432.4878 14462.7063 256.1156 -203322.9305 2540.4502 0.0000 0.0000 52029.0650 -109682.1233 299.0118 -161711.1883 -109316.0012 299.5524 -63.4505 -33.5722 761542.4417 14.0433 13.9850 PRESSURE: 3846200 -190.859 -153.345 -275.59 -153.345 -274.292 82.542 -275.59 82.5425 -318.271 GPRESSURE: 3846200 -143.075 -135.79 -284.322 -91.8947 -248.367 -31.5443 -263.143 92.8892 -313.962 PRESSAVG: 3846200 25.5582 -20.3756 6.44317 -20.3756 -30.262 -16.4068 6.44315 -16.4069 26.3308 GPRESSAVG: 3846200 25.1855 -20.4162 6.1595 -21.3849 -29.3932 -15.1153 6.71138 -16.805 25.7492 TIMING: 3846200 CPU: 12217.3, 0.0031817/step Wall: 12217.3, 0.0031817/step, 1.01973 hours remaining, 240.605469 MB of memory in use. ENERGY: 3846200 4022.2469 20630.8866 14453.4762 239.4777 -203201.0447 2456.1764 0.0000 0.0000 51718.3196 -109680.4614 297.2259 -161398.7810 -109321.4879 298.5140 -261.1409 -235.1348 762487.6154 7.2090 7.1805 PRESSURE: 3846400 -24.9817 -122.039 148.576 -122.039 -8.96851 -82.0003 148.576 -82.0003 497.079 GPRESSURE: 3846400 4.95369 -44.3722 90.183 -246.39 33.3918 -148.797 138.627 -2.76124 513.631 PRESSAVG: 3846400 -27.6791 -22.5345 -36.8842 -22.5345 -2.85964 -31.3866 -36.8842 -31.3866 19.0653 GPRESSAVG: 3846400 -27.8082 -20.6365 -36.5308 -22.2477 -3.12072 -33.1279 -36.8571 -30.353 19.9462 TIMING: 3846400 CPU: 12217.9, 0.00316747/step Wall: 12217.9, 0.00316747/step, 1.015 hours remaining, 240.605469 MB of memory in use. ENERGY: 3846400 3999.8972 20703.9414 14505.9553 255.5396 -203749.4941 2665.0525 0.0000 0.0000 52170.6958 -109448.4123 299.8257 -161619.1081 -109093.1504 299.5828 154.3763 183.9921 761834.6145 -3.8245 -3.6609 PRESSURE: 3846600 15.7546 63.4308 60.4878 63.4316 -67.3816 -88.7908 60.4877 -88.7919 -30.9969 GPRESSURE: 3846600 64.2253 63.0348 74.9717 125.344 -42.5444 -52.3525 92.1561 -19.7426 -29.4863 PRESSAVG: 3846600 -44.9161 -10.7392 24.0789 -10.7392 34.9533 -82.1098 24.0789 -82.1098 -0.583254 GPRESSAVG: 3846600 -43.6121 -10.2569 23.6918 -10.7401 34.2658 -80.7506 23.2794 -84.5984 -1.24056 TIMING: 3846600 CPU: 12218.6, 0.0031378/step Wall: 12218.6, 0.0031378/step, 1.00531 hours remaining, 240.605469 MB of memory in use. ENERGY: 3846600 4005.1678 20476.0979 14456.1544 241.3182 -203217.4862 2295.2115 0.0000 0.0000 52112.6793 -109630.8572 299.4923 -161743.5365 -109267.5892 299.8932 -27.5413 -2.6018 761677.9072 -3.5153 -3.5289 PRESSURE: 3846800 -243.755 220.975 32.563 220.975 262.808 67.4001 32.5633 67.4004 -178.145 GPRESSURE: 3846800 -204.441 161.559 64.956 193.68 235.852 120.45 -47.9211 -75.7921 -103.203 PRESSAVG: 3846800 -43.5075 6.06167 -11.1797 6.06161 40.3354 -9.26182 -11.1797 -9.26178 2.66296 GPRESSAVG: 3846800 -44.9333 4.51894 -9.61329 5.63867 41.167 -8.85018 -8.96819 -8.18646 3.14783 TIMING: 3846800 CPU: 12219.2, 0.0031412/step Wall: 12219.2, 0.0031412/step, 1.00623 hours remaining, 240.605469 MB of memory in use. ENERGY: 3846800 3989.8470 20467.0098 14429.6935 247.8404 -204252.4135 2873.2028 0.0000 0.0000 52340.9355 -109903.8844 300.8041 -162244.8200 -109540.6926 299.7000 -53.0307 -23.9306 760331.8043 -0.1697 -0.2062 PRESSURE: 3847000 25.6295 189.45 59.804 189.45 308.91 -132.826 59.8047 -132.825 184.907 GPRESSURE: 3847000 41.7434 157.499 -10.8416 233.759 455.922 -135.726 16.1376 -166.41 101.824 PRESSAVG: 3847000 -85.1039 15.3404 -1.24223 15.3404 78.4571 -24.9512 -1.24221 -24.9512 7.80597 GPRESSAVG: 3847000 -85.08 15.4146 -2.06699 16.4833 78.6432 -24.9663 -5.31393 -27.099 7.9872 TIMING: 3847000 CPU: 12219.8, 0.00316951/step Wall: 12219.8, 0.00316952/step, 1.01513 hours remaining, 240.605469 MB of memory in use. ENERGY: 3847000 3945.5797 20351.7498 14442.2066 237.1737 -204040.9658 2597.2673 0.0000 0.0000 52272.9646 -110194.0241 300.4134 -162466.9886 -109827.4616 299.1282 173.1487 199.8298 759303.1384 0.3864 0.5168 PRESSURE: 3847200 -51.3647 14.6312 -60.951 14.6316 -267.205 89.6225 -60.9509 89.6226 87.319 GPRESSURE: 3847200 -47.0408 -18.1896 -44.7497 66.2802 -235.313 115.715 -54.2257 73.4385 161.633 PRESSAVG: 3847200 -33.3121 24.9567 -55.9645 24.9567 47.421 -40.8041 -55.9645 -40.804 -9.77079 GPRESSAVG: 3847200 -32.9059 22.2576 -56.9969 23.6274 46.9866 -39.7799 -53.396 -40.172 -9.83929 TIMING: 3847200 CPU: 12220.5, 0.00315252/step Wall: 12220.5, 0.00315251/step, 1.00951 hours remaining, 240.605469 MB of memory in use. ENERGY: 3847200 3938.6873 20539.4388 14395.0634 243.1876 -203813.0532 2527.3854 0.0000 0.0000 52010.2514 -110159.0394 298.9036 -162169.2908 -109776.5266 298.8046 -77.0837 -40.2402 761159.0859 1.4460 1.4138 PRESSURE: 3847400 -616.351 132.299 -151.569 132.299 -310.843 -23.9958 -151.568 -23.9961 -12.0674 GPRESSURE: 3847400 -499.561 72.8843 -192.594 128.907 -343.672 16.1112 -76.7777 -76.8529 -6.50917 PRESSAVG: 3847400 -42.4899 24.7273 -6.02898 24.7273 50.7538 35.7669 -6.02897 35.7669 -3.19477 GPRESSAVG: 3847400 -42.3547 27.4967 -5.57369 24.1736 51.3302 34.8823 -6.85049 36.1697 -3.78169 TIMING: 3847400 CPU: 12221.1, 0.00316603/step Wall: 12221.1, 0.00316603/step, 1.01366 hours remaining, 240.605469 MB of memory in use. ENERGY: 3847400 3991.8014 20466.3569 14445.0233 258.0164 -203796.5940 2478.6574 0.0000 0.0000 52075.8064 -110080.9321 299.2804 -162156.7385 -109720.1203 298.7097 -313.0874 -283.2472 761412.2345 1.6897 1.7313 PRESSURE: 3847600 -273.964 51.308 -28.8032 51.3078 -371.49 -29.0749 -28.8035 -29.0743 58.7309 GPRESSURE: 3847600 -315.741 91.6795 -40.0768 144.467 -297.967 9.58399 31.7485 89.9912 106.619 PRESSAVG: 3847600 -44.2515 55.4014 -7.84824 55.4014 16.9733 -8.5227 -7.84823 -8.52274 10.3606 GPRESSAVG: 3847600 -44.0004 56.45 -6.55791 57.1037 17.5026 -8.69642 -7.11943 -9.57154 9.98738 TIMING: 3847600 CPU: 12221.7, 0.0031723/step Wall: 12221.7, 0.0031723/step, 1.01549 hours remaining, 240.605469 MB of memory in use. ENERGY: 3847600 4014.6281 20519.4680 14480.3134 245.3109 -203755.1757 2510.5226 0.0000 0.0000 51819.9880 -110164.9447 297.8102 -161984.9327 -109806.4879 298.2430 -195.5746 -169.0297 762200.6778 -5.6392 -5.5035 PRESSURE: 3847800 114.931 -39.1329 -145.019 -39.1324 171.268 -81.5711 -145.019 -81.5711 415.664 GPRESSURE: 3847800 89.9091 -88.5117 -115.482 -97.4114 267.465 -136.165 -206.596 14.3995 444.829 PRESSAVG: 3847800 32.7863 29.5778 -8.86827 29.5778 -40.7799 -13.9891 -8.86825 -13.9892 21.9413 GPRESSAVG: 3847800 32.1907 29.7631 -10.034 29.4647 -41.7077 -13.9404 -10.6762 -14.2861 23.7683 TIMING: 3847800 CPU: 12222.4, 0.00314889/step Wall: 12222.4, 0.00314889/step, 1.00782 hours remaining, 240.605469 MB of memory in use. ENERGY: 3847800 4104.5380 20370.6142 14415.0536 243.3179 -204257.4244 2988.9430 0.0000 0.0000 52039.3242 -110095.6336 299.0707 -162134.9579 -109735.4018 298.2485 233.9547 267.4013 760144.3601 4.6492 4.7504 PRESSURE: 3848000 40.0684 112.459 135.428 112.46 103.969 -106.728 135.428 -106.73 -27.2771 GPRESSURE: 3848000 151.62 183.091 238.41 29.5795 148.832 -136.667 63.2032 -114.489 -94.1909 PRESSAVG: 3848000 32.7904 8.16238 7.04095 8.1624 -20.2687 -37.9581 7.041 -37.9582 18.3009 GPRESSAVG: 3848000 34.6456 8.74506 7.28743 7.60093 -20.2691 -39.5638 7.62917 -36.6988 16.4397 TIMING: 3848000 CPU: 12223, 0.00316979/step Wall: 12223, 0.00316979/step, 1.01433 hours remaining, 240.605469 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: 3848000 3981.3707 20411.9643 14385.2830 240.6498 -203907.9308 2825.3723 0.0000 0.0000 51966.2379 -110097.0526 298.6507 -162063.2906 -109745.7028 298.6842 38.9201 68.7536 760836.0491 10.2742 10.2721 PRESSURE: 3848200 -174 25.8899 -166.721 25.8899 -228.721 -29.232 -166.721 -29.2322 -265.744 GPRESSURE: 3848200 -208.822 74.0937 -232.74 -84.1669 -146.621 -4.77532 -64.1401 -148.527 -230.469 PRESSAVG: 3848200 62.3938 44.0633 31.5527 44.0633 -112.993 -16.4849 31.5527 -16.485 2.93448 GPRESSAVG: 3848200 60.8925 42.9668 31.4665 45.2232 -112.33 -15.7688 31.6756 -16.169 4.01393 TIMING: 3848200 CPU: 12223.6, 0.0031858/step Wall: 12223.6, 0.0031858/step, 1.01928 hours remaining, 240.605469 MB of memory in use. ENERGY: 3848200 4041.4713 20380.6330 14377.9461 253.8540 -203567.2449 2495.3196 0.0000 0.0000 51789.8028 -110228.2180 297.6367 -162018.0208 -109872.2584 297.5915 -222.8219 -195.3039 761408.9172 -15.8883 -15.8080 LDB: ============= START OF LOAD BALANCING ============== 12236.1 LDB: ============== END OF LOAD BALANCING =============== 12236.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.1 LDB: ============= START OF LOAD BALANCING ============== 12236.4 LDB: Largest compute 7032 load 0.035075 is 18.0% of average load 0.195292 LDB: Average compute 0.004370 is 2.2% of average load 0.195292 LDB: TIME 12236.4 LOAD: AVG 0.195292 MAX 0.218402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 12236.4 LOAD: AVG 0.195292 MAX 0.218402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: TIME 12236.4 LOAD: AVG 0.195292 MAX 0.21596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: ============== END OF LOAD BALANCING =============== 12236.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.4 PRESSURE: 3848400 212.527 20.3025 3.43015 20.3015 217.024 -208.557 3.43035 -208.556 -52.7321 GPRESSURE: 3848400 184.536 71.4158 -99.2965 38.5007 261.207 -210.559 -31.5475 -221.863 10.7749 PRESSAVG: 3848400 79.7797 28.7139 -8.69845 28.7139 -47.6458 16.4782 -8.69846 16.4782 6.25318 GPRESSAVG: 3848400 78.8408 28.0189 -8.63386 27.4456 -46.822 17.1696 -9.64286 14.7795 6.17715 TIMING: 3848400 CPU: 12224.3, 0.00323521/step Wall: 12224.3, 0.00323521/step, 1.03491 hours remaining, 240.039062 MB of memory in use. ENERGY: 3848400 3966.6369 20401.4800 14383.7438 246.7743 -203408.9758 2508.2431 0.0000 0.0000 51604.7576 -110297.3400 296.5733 -161902.0976 -109928.2526 297.4601 125.6064 152.1725 761865.4265 12.7957 12.7320 PRESSURE: 3848600 -135.418 140.748 100.877 140.747 -127.266 193.318 100.878 193.318 -71.9399 GPRESSURE: 3848600 -94.5237 -20.629 215.749 52.3393 -108.404 166.621 154.94 180.457 -35.0288 PRESSAVG: 3848600 8.72163 15.4494 12.1112 15.4494 -2.75569 -38.6844 12.1113 -38.6844 -0.563687 GPRESSAVG: 3848600 9.53949 15.187 10.8625 16.4907 -2.85947 -37.852 12.0585 -37.285 -0.598707 TIMING: 3848600 CPU: 12224.9, 0.00317952/step Wall: 12224.9, 0.00317952/step, 1.01692 hours remaining, 240.039062 MB of memory in use. ENERGY: 3848600 3948.1042 20445.8310 14374.0828 242.1601 -203746.2623 2596.0919 0.0000 0.0000 51716.5610 -110423.4314 297.2158 -162139.9924 -110067.3026 297.2534 -111.5416 -79.3187 760227.3831 1.8007 2.0271 PRESSURE: 3848800 142.493 -38.8985 -107.608 -38.8994 -362.556 75.443 -107.608 75.4433 -278.967 GPRESSURE: 3848800 144.239 -121.843 -72.5694 -203.351 -318.156 61.0321 -71.0149 56.0602 -254.155 PRESSAVG: 3848800 19.7911 -35.595 36.9856 -35.595 -75.3707 36.5385 36.9856 36.5386 -0.0248194 GPRESSAVG: 3848800 20.6539 -34.3709 37.249 -36.7292 -76.4582 35.8614 38.4342 36.2657 -0.558375 TIMING: 3848800 CPU: 12225.5, 0.00318488/step Wall: 12225.5, 0.00318488/step, 1.01846 hours remaining, 240.039062 MB of memory in use. ENERGY: 3848800 3935.5758 20530.8092 14381.1213 236.9851 -203812.4394 2614.9019 0.0000 0.0000 51668.1188 -110444.9274 296.9374 -162113.0462 -110084.5259 297.5545 -166.3434 -142.6906 760224.2311 -18.5348 -18.7876 PRESSURE: 3849000 80.5398 -44.4484 37.8037 -44.4484 -215.901 -29.9902 37.8035 -29.9898 -13.8252 GPRESSURE: 3849000 122.012 -165.19 84.8252 45.8293 -136.511 -0.201866 -18.8228 -133.204 -39.1847 PRESSAVG: 3849000 19.8906 -64.6808 -62.7595 -64.6808 -46.8035 -31.2948 -62.7596 -31.2948 -8.94675 GPRESSAVG: 3849000 19.3483 -65.535 -61.5959 -64.3453 -46.1418 -30.1387 -64.5319 -33.1517 -8.75809 TIMING: 3849000 CPU: 12226.2, 0.0031705/step Wall: 12226.2, 0.0031705/step, 1.01368 hours remaining, 240.039062 MB of memory in use. ENERGY: 3849000 3901.6564 20421.8073 14392.9860 244.4751 -204072.6568 2833.4157 0.0000 0.0000 51665.5695 -110612.7469 296.9227 -162278.3164 -110259.6268 296.9171 -49.7287 -17.8943 760743.6209 -11.9532 -11.8505 PRESSURE: 3849200 -89.5345 34.8403 -81.0779 34.8392 174.498 -199.056 -81.0781 -199.056 -87.6829 GPRESSURE: 3849200 12.1972 31.6751 -57.2978 56.0514 102.436 -175.257 -134.061 -69.3308 -47.1327 PRESSAVG: 3849200 50.2399 -45.3306 -16.1926 -45.3305 -21.3563 -20.732 -16.1925 -20.732 17.0768 GPRESSAVG: 3849200 50.5191 -45.1634 -17.4858 -43.0522 -21.861 -22.3295 -13.4553 -18.2734 17.3102 TIMING: 3849200 CPU: 12226.8, 0.00314499/step Wall: 12226.8, 0.00314499/step, 1.00535 hours remaining, 240.039062 MB of memory in use. ENERGY: 3849200 3943.8270 20357.1117 14395.2802 234.8822 -204133.1996 2794.2560 0.0000 0.0000 51817.5693 -110590.2732 297.7963 -162407.8425 -110239.0191 297.6586 -0.9066 22.5003 761039.8316 15.3201 15.3228 PRESSURE: 3849400 -139.44 -71.139 -306.791 -71.1387 -192.537 126.473 -306.79 126.472 -85.3065 GPRESSURE: 3849400 -96.5775 -68.4159 -337.099 -130.278 -176.934 50.3649 -164.403 172.789 -76.9576 PRESSAVG: 3849400 29.2723 -2.97625 14.3079 -2.97632 -25.7024 17.1444 14.308 17.1444 -15.7386 GPRESSAVG: 3849400 27.4272 -2.29487 15.0174 -4.42507 -24.7071 17.0456 12.4926 15.5912 -15.3789 TIMING: 3849400 CPU: 12227.4, 0.00315188/step Wall: 12227.4, 0.00315188/step, 1.00738 hours remaining, 240.039062 MB of memory in use. ENERGY: 3849400 3954.7068 20455.0404 14429.3394 243.7999 -203591.5047 2357.0861 0.0000 0.0000 51525.0470 -110626.4852 296.1152 -162151.5322 -110273.3794 297.2548 -139.0945 -116.8230 761436.6401 -4.0562 -4.2196 PRESSURE: 3849600 -130.42 4.27501 14.5832 4.27508 -439.195 -289.862 14.5845 -289.863 19.3844 GPRESSURE: 3849600 -168.17 141.867 -10.4408 18.3959 -316.763 -248.385 20.861 -133.744 1.23165 PRESSAVG: 3849600 0.534248 2.8975 74.3388 2.89746 10.83 36.079 74.3388 36.079 9.78449 GPRESSAVG: 3849600 1.34336 3.28803 73.0989 2.667 9.58929 36.0078 74.6301 36.1579 9.63867 TIMING: 3849600 CPU: 12228.1, 0.00318725/step Wall: 12228.1, 0.00318725/step, 1.0185 hours remaining, 240.039062 MB of memory in use. ENERGY: 3849600 3956.9452 20479.4872 14415.5205 252.1539 -203681.1910 2262.7063 0.0000 0.0000 51824.6558 -110489.7220 297.8370 -162314.3778 -110132.0624 297.4982 -183.4101 -161.2339 760907.8385 7.0496 6.8571 PRESSURE: 3849800 -296.242 -71.1381 257.624 -71.1385 395.122 182.177 257.623 182.177 -306.579 GPRESSURE: 3849800 -227.799 -53.2656 299.382 -98.8676 375.317 251.451 135.592 104.847 -272.818 PRESSAVG: 3849800 -22.4489 -65.055 20.4594 -65.055 48.9002 43.6353 20.4593 43.6353 10.7738 GPRESSAVG: 3849800 -22.7803 -62.7278 20.3095 -64.004 49.3124 43.673 20.7073 44.2928 10.7619 TIMING: 3849800 CPU: 12228.7, 0.00318798/step Wall: 12228.7, 0.00318798/step, 1.01856 hours remaining, 240.039062 MB of memory in use. ENERGY: 3849800 4040.0015 20463.8106 14396.4629 267.9184 -203672.5346 2570.7231 0.0000 0.0000 51565.0811 -110368.5371 296.3452 -161933.6182 -110009.6992 297.2214 -69.2333 -41.7668 761125.8587 12.4084 12.4313 PRESSURE: 3850000 62.1197 -81.7338 -158.347 -81.7343 22.4329 -127.678 -158.346 -127.678 51.149 GPRESSURE: 3850000 89.1599 34.0249 -235.685 -77.7302 111.144 -31.3903 -120.608 -87.4028 23.8324 PRESSAVG: 3850000 -59.9511 -75.2062 29.69 -75.2061 53.2328 -42.1472 29.69 -42.1471 4.28361 GPRESSAVG: 3850000 -59.8486 -78.7466 29.6276 -74.1708 54.2213 -42.8297 29.3385 -42.0546 3.21516 TIMING: 3850000 CPU: 12229.4, 0.00319236/step Wall: 12229.4, 0.00319236/step, 1.01978 hours remaining, 240.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3850000 4046.9892 20544.1835 14463.8587 244.7544 -204321.1096 2814.3250 0.0000 0.0000 52042.0714 -110164.9274 299.0865 -162206.9987 -109814.0772 298.3833 45.2339 74.7120 758690.3567 -0.8116 -0.8041 PRESSURE: 3850200 -219.542 -137.166 -263.84 -137.166 -412.701 -31.8215 -263.839 -31.822 350.319 GPRESSURE: 3850200 -122.55 -202.634 -251.846 -143.391 -358.607 -50.5262 -215.086 -28.7687 291.123 PRESSAVG: 3850200 -18.0347 -73.8561 20.4714 -73.8561 24.1435 18.6351 20.4713 18.6352 -1.52138 GPRESSAVG: 3850200 -16.811 -71.7944 19.2733 -75.7296 23.0507 20.5773 22.7389 15.1249 -1.38762 TIMING: 3850200 CPU: 12230, 0.0031813/step Wall: 12230, 0.0031813/step, 1.01607 hours remaining, 240.039062 MB of memory in use. ENERGY: 3850200 3921.6455 20527.7694 14499.0134 238.6218 -204188.4010 2592.9667 0.0000 0.0000 51893.4042 -110514.9800 298.2321 -162408.3841 -110155.2448 297.8905 -93.9745 -63.3446 759838.8279 1.5292 1.6174 PRESSURE: 3850400 -113.015 87.0081 38.8273 87.0076 113.077 -22.3538 38.8272 -22.3538 21.8558 GPRESSURE: 3850400 -93.0486 67.2195 -15.5688 105.404 151.497 8.95477 84.91 20.5534 36.5391 PRESSAVG: 3850400 -6.46112 0.725601 -9.2422 0.725615 -31.6083 -60.86 -9.24219 -60.86 22.3726 GPRESSAVG: 3850400 -7.09324 0.0946896 -5.5652 0.0890554 -32.1973 -61.3077 -11.2822 -59.317 23.4375 TIMING: 3850400 CPU: 12230.6, 0.00318412/step Wall: 12230.6, 0.00318412/step, 1.0168 hours remaining, 240.039062 MB of memory in use. ENERGY: 3850400 3954.5614 20304.9145 14468.2784 223.3173 -203784.5095 2535.4986 0.0000 0.0000 51791.6318 -110506.3075 297.6472 -162297.9393 -110133.7060 297.1725 7.3062 31.6624 761328.0467 -5.2322 -5.2844 PRESSURE: 3850600 -6.53337 -191.488 -274.177 -191.488 -122.02 -33.0359 -274.177 -33.036 13.0678 GPRESSURE: 3850600 -54.1309 -193.637 -346.344 -203.253 30.3926 -48.9902 -160.272 -54.9811 -20.8535 PRESSAVG: 3850600 18.8881 -24.457 30.3902 -24.457 -17.0728 -20.1553 30.3903 -20.1554 19.7495 GPRESSAVG: 3850600 19.3956 -26.4915 26.9338 -21.9141 -17.1299 -20.5353 30.483 -18.645 19.4846 TIMING: 3850600 CPU: 12231.3, 0.00318038/step Wall: 12231.3, 0.00318038/step, 1.01542 hours remaining, 240.039062 MB of memory in use. ENERGY: 3850600 3969.1128 20442.2750 14385.8063 246.1321 -203641.7227 2455.1837 0.0000 0.0000 51842.6244 -110300.5884 297.9403 -162143.2128 -109949.6116 297.1978 -38.4951 -14.8639 760279.5440 7.1883 7.2501 PRESSURE: 3850800 26.6239 -150.739 114.639 -150.739 -371.842 148.861 114.639 148.862 46.2199 GPRESSURE: 3850800 41.622 -140.853 159.278 -34.7601 -329.257 161.314 106.851 16.3765 44.1633 PRESSAVG: 3850800 -34.7939 -3.71104 29.1447 -3.71105 19.7226 -34.1956 29.1447 -34.1955 -27.7115 GPRESSAVG: 3850800 -36.2723 -4.6124 30.724 -5.27466 21.3182 -32.3395 29.1465 -37.7794 -27.3724 TIMING: 3850800 CPU: 12231.9, 0.00316948/step Wall: 12231.9, 0.00316948/step, 1.01177 hours remaining, 240.039062 MB of memory in use. ENERGY: 3850800 3990.7237 20446.5735 14439.9337 234.5227 -203887.6329 2560.5355 0.0000 0.0000 51995.9836 -110219.3603 298.8216 -162215.3438 -109863.4448 297.6889 -99.6662 -81.1571 760635.1612 -14.2609 -14.1088 PRESSURE: 3851000 -114.225 18.4699 -96.4939 18.4694 -110.362 -134.687 -96.4927 -134.687 -175.976 GPRESSURE: 3851000 -68.7083 -62.8333 -64.994 49.7097 -85.3914 -140.112 -41.9832 -171.254 -154.76 PRESSAVG: 3851000 -62.7895 4.87661 22.8851 4.87663 51.6129 8.84563 22.8851 8.84566 -12.9696 GPRESSAVG: 3851000 -62.4188 7.73402 23.8865 4.27402 51.4267 7.40753 22.8361 10.4905 -13.0796 TIMING: 3851000 CPU: 12232.5, 0.00316635/step Wall: 12232.5, 0.00316635/step, 1.01059 hours remaining, 240.039062 MB of memory in use. ENERGY: 3851000 4023.8970 20421.6822 14457.7902 230.0567 -203490.4431 2279.0880 0.0000 0.0000 52019.4807 -110058.4482 298.9567 -162077.9289 -109694.5943 297.9522 -133.5210 -102.9532 759766.2931 -8.0487 -8.0239 PRESSURE: 3851200 -122.078 -20.3997 -101.692 -20.3981 427.559 -234.244 -101.691 -234.244 78.7399 GPRESSURE: 3851200 -22.1529 -109.653 -118.617 104.482 337.22 -255.073 8.74027 -53.0742 160.533 PRESSAVG: 3851200 -7.76318 -16.4428 -36.1599 -16.4427 -6.39956 31.5071 -36.1599 31.5071 17.7432 GPRESSAVG: 3851200 -6.22439 -16.0911 -35.8799 -16.5501 -7.07364 32.8669 -37.919 32.4183 17.9409 TIMING: 3851200 CPU: 12233.2, 0.0031674/step Wall: 12233.2, 0.0031674/step, 1.01075 hours remaining, 240.039062 MB of memory in use. ENERGY: 3851200 3920.0114 20533.0757 14489.8645 249.0871 -203287.3108 2356.7458 0.0000 0.0000 51852.1585 -109886.3677 297.9951 -161738.5262 -109539.9901 298.6314 128.0736 158.5334 757670.4748 1.1935 1.5476 PRESSURE: 3851400 -54.6912 -83.5974 116.772 -83.5976 -296.558 40.644 116.773 40.6434 -463.26 GPRESSURE: 3851400 6.49288 -146.16 148.366 -12.9494 -332.409 24.5994 93.1953 18.851 -410.628 PRESSAVG: 3851400 45.1191 44.4382 1.70364 44.4382 -6.19632 4.95098 1.70359 4.95098 -2.79052 GPRESSAVG: 3851400 44.3069 44.8356 0.79584 43.5059 -4.93334 4.27351 4.00649 3.22254 -3.73699 TIMING: 3851400 CPU: 12233.8, 0.00316619/step Wall: 12233.8, 0.00316619/step, 1.01019 hours remaining, 240.039062 MB of memory in use. ENERGY: 3851400 3997.8872 20538.8967 14475.2995 246.6322 -203355.7925 2295.1488 0.0000 0.0000 52028.5364 -109773.3918 299.0087 -161801.9283 -109427.3553 299.2447 -271.5031 -245.5147 759361.8603 12.0441 11.8789 PRESSURE: 3851600 -28.712 105.644 90.9547 105.643 -108.212 -84.7719 90.9546 -84.7724 13.8622 GPRESSURE: 3851600 -5.39006 101.491 86.6412 146.415 -87.7536 -144.196 138.205 -40.1679 56.4254 PRESSAVG: 3851600 -10.3244 -29.258 29.9905 -29.2581 5.95292 -39.9648 29.9905 -39.9647 -13.383 GPRESSAVG: 3851600 -10.2802 -30.8118 29.5605 -26.1438 5.16133 -41.5292 29.2766 -40.538 -12.7174 TIMING: 3851600 CPU: 12234.4, 0.00317257/step Wall: 12234.4, 0.00317257/step, 1.01205 hours remaining, 240.039062 MB of memory in use. ENERGY: 3851600 3955.2977 20408.4368 14552.0755 241.0613 -203373.1820 2638.8060 0.0000 0.0000 52066.7030 -109510.8017 299.2281 -161577.5047 -109150.4074 299.5021 -41.0204 -12.2394 759316.7863 -5.9182 -5.9454 PRESSURE: 3851800 -272.428 -229.452 -48.1311 -229.451 -1.33665 17.8902 -48.131 17.8894 16.3947 GPRESSURE: 3851800 -258.556 -102.763 -30.068 -108.489 -19.9945 50.8084 -47.6991 -17.3451 107.777 PRESSAVG: 3851800 -25.3417 -73.8343 -6.45632 -73.8343 17.7147 -31.7564 -6.45634 -31.7565 6.97471 GPRESSAVG: 3851800 -26.0226 -73.2036 -5.92613 -75.3154 18.3315 -30.9808 -6.69942 -29.2674 7.07637 TIMING: 3851800 CPU: 12235.1, 0.00316556/step Wall: 12235.1, 0.00316556/step, 1.00964 hours remaining, 240.039062 MB of memory in use. ENERGY: 3851800 4044.3067 20589.7609 14463.1896 273.9937 -203711.1079 2847.3606 0.0000 0.0000 52281.2388 -109211.2577 300.4610 -161492.4965 -108847.9617 299.9959 -85.7901 -56.9244 759809.8574 -0.2174 -0.2049 PRESSURE: 3852000 -34.4121 17.8696 -19.7386 17.8705 -125.908 129.634 -19.739 129.635 -109.76 GPRESSURE: 3852000 17.1986 -74.2721 -15.9357 0.103092 -137.537 26.374 -98.472 37.9801 -65.9351 PRESSAVG: 3852000 19.0684 -23.4865 6.47397 -23.4865 -17.5937 -30.2885 6.47397 -30.2884 26.8296 GPRESSAVG: 3852000 20.0647 -24.4607 6.96646 -23.6509 -19.8059 -30.773 6.40794 -30.0833 27.3506 TIMING: 3852000 CPU: 12235.7, 0.00314826/step Wall: 12235.7, 0.00314827/step, 1.00395 hours remaining, 240.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3852000 3971.5992 20554.0181 14465.5175 236.5853 -203350.7378 2381.1375 0.0000 0.0000 52198.5677 -109543.3124 299.9859 -161741.8801 -109182.7045 300.2599 -90.0267 -62.0912 758495.2436 9.4348 9.2031 PRESSURE: 3852200 -71.9429 -91.1322 -74.1848 -91.1322 -59.3237 -48.2674 -74.1849 -48.2675 -146.859 GPRESSURE: 3852200 -58.1433 -154.57 -96.5479 -29.4116 -48.743 -34.9727 -10.2623 -59.7248 -104.543 PRESSAVG: 3852200 18.0633 -28.2673 0.869201 -28.2673 -2.92289 -46.851 0.869218 -46.851 11.9011 GPRESSAVG: 3852200 17.0835 -27.0771 -1.13559 -28.413 -0.709009 -46.1963 3.97413 -45.9717 10.6382 TIMING: 3852200 CPU: 12236.3, 0.00314748/step Wall: 12236.3, 0.00314748/step, 1.00352 hours remaining, 240.039062 MB of memory in use. ENERGY: 3852200 4029.6942 20554.8964 14527.2132 230.5100 -203286.8377 2380.6152 0.0000 0.0000 51979.5961 -109584.3126 298.7275 -161563.9087 -109222.0376 299.7332 -92.7086 -70.4763 759788.2712 9.0138 9.0042 LDB: ============= START OF LOAD BALANCING ============== 12248.8 LDB: ============== END OF LOAD BALANCING =============== 12248.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12248.8 LDB: ============= START OF LOAD BALANCING ============== 12249.1 LDB: Largest compute 7026 load 0.035017 is 17.9% of average load 0.195468 LDB: Average compute 0.004364 is 2.2% of average load 0.195468 LDB: TIME 12249.1 LOAD: AVG 0.195468 MAX 0.216888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 12249.1 LOAD: AVG 0.195468 MAX 0.216888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: TIME 12249.1 LOAD: AVG 0.195468 MAX 0.216888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: ============== END OF LOAD BALANCING =============== 12249.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12249.1 PRESSURE: 3852400 368.486 -65.5325 -288.311 -65.5321 79.164 200.674 -288.31 200.674 -297.029 GPRESSURE: 3852400 347.92 -72.9734 -290.692 -246.425 174.555 148.663 -242.78 128.949 -285.241 PRESSAVG: 3852400 55.5128 -4.69329 -24.8577 -4.69325 -0.411674 -14.4135 -24.8577 -14.4135 14.5179 GPRESSAVG: 3852400 55.9449 -5.02123 -23.7222 -4.32393 -1.99633 -13.819 -28.1464 -16.9741 15.4546 TIMING: 3852400 CPU: 12237, 0.0032105/step Wall: 12237, 0.0032105/step, 1.02344 hours remaining, 242.093750 MB of memory in use. ENERGY: 3852400 3997.7037 20436.2037 14444.8309 237.3743 -203693.7594 2926.3700 0.0000 0.0000 52205.0766 -109446.2002 300.0233 -161651.2768 -109095.8937 299.5467 50.2070 79.0782 760444.6234 23.2063 23.1344 PRESSURE: 3852600 -463.294 -12.8675 -158.427 -12.8664 -49.8295 18.2691 -158.428 18.2701 84.654 GPRESSURE: 3852600 -449.378 -26.0308 -155.171 -23.7339 55.1096 -25.3439 -18.3284 11.4243 41.2233 PRESSAVG: 3852600 29.2551 -2.26824 2.77806 -2.26823 -15.5557 14.4991 2.77804 14.4991 14.7766 GPRESSAVG: 3852600 28.6727 -4.48935 3.11562 -2.52992 -14.3648 14.3479 3.52542 15.4557 14.4193 TIMING: 3852600 CPU: 12237.6, 0.00315163/step Wall: 12237.6, 0.00315163/step, 1.0045 hours remaining, 242.093750 MB of memory in use. ENERGY: 3852600 3987.8200 20580.5486 14414.5621 238.7559 -203623.3384 2630.3372 0.0000 0.0000 52340.4475 -109430.8672 300.8013 -161771.3147 -109061.9367 300.2889 -142.8230 -117.6819 760933.5105 9.4920 9.5757 PRESSURE: 3852800 83.2029 72.0292 -96.6515 72.0306 288.14 -128.458 -96.651 -128.458 -25.7707 GPRESSURE: 3852800 187.434 54.9874 -85.6656 50.6858 245.668 -110.924 -66.4308 -215.073 -9.14072 PRESSAVG: 3852800 35.3858 -5.48219 -0.913019 -5.48219 -25.4476 -21.8377 -0.913007 -21.8376 -10.4215 GPRESSAVG: 3852800 35.0917 -1.94751 -2.13001 -5.12947 -25.6462 -21.6706 1.73804 -22.2327 -10.2146 TIMING: 3852800 CPU: 12238.2, 0.0031571/step Wall: 12238.2, 0.0031571/step, 1.00606 hours remaining, 242.093750 MB of memory in use. ENERGY: 3852800 4004.7737 20518.9184 14372.3860 244.3100 -203614.4892 2880.3397 0.0000 0.0000 52084.5890 -109509.1724 299.3308 -161593.7614 -109149.1909 300.2331 115.1906 141.3204 760550.1026 -0.1611 -0.2564 PRESSURE: 3853000 15.0127 -37.928 -73.6949 -37.9276 213.791 -29.1039 -73.6951 -29.1043 -459.766 GPRESSURE: 3853000 4.38449 -3.40298 -91.451 -112.934 273.432 -45.7523 -59.4111 -3.06971 -438.636 PRESSAVG: 3853000 -18.5003 -3.15833 -47.9299 -3.15831 43.6219 -19.9412 -47.9298 -19.9412 2.99584 GPRESSAVG: 3853000 -17.5601 -4.54168 -45.849 -4.16141 42.6359 -20.0001 -50.6361 -20.3606 2.59381 TIMING: 3853000 CPU: 12238.9, 0.00315149/step Wall: 12238.9, 0.00315149/step, 1.0041 hours remaining, 242.093750 MB of memory in use. ENERGY: 3853000 4040.0272 20475.3073 14480.1943 253.3261 -203312.2423 2652.7069 0.0000 0.0000 51973.1180 -109437.5624 298.6902 -161410.6804 -109063.1232 299.7750 -76.9874 -53.6065 761081.9643 9.3725 9.2232 PRESSURE: 3853200 155.622 70.6318 -167.997 70.632 201.788 101.382 -167.997 101.381 -218.351 GPRESSURE: 3853200 200.96 35.3368 -68.7841 63.149 148.009 16 -134.772 -30.6733 -119.303 PRESSAVG: 3853200 -1.27015 -25.5832 6.55655 -25.5832 -5.96657 10.7753 6.55656 10.7753 15.8546 GPRESSAVG: 3853200 -1.9859 -27.5998 6.69948 -23.8937 -5.4239 11.2224 7.6923 11.523 16.1447 TIMING: 3853200 CPU: 12239.5, 0.00314564/step Wall: 12239.5, 0.00314564/step, 1.00206 hours remaining, 242.093750 MB of memory in use. ENERGY: 3853200 3986.4481 20512.7340 14460.5172 244.6200 -203703.0791 2792.7161 0.0000 0.0000 52056.4090 -109649.6347 299.1689 -161706.0437 -109289.7391 299.0494 46.3532 76.5554 761319.5944 2.8726 2.9116 PRESSURE: 3853400 133.514 -107.876 87.1456 -107.876 106.697 -9.25565 87.1464 -9.25523 152.095 GPRESSURE: 3853400 139.063 -127.023 29.2912 -132.184 177.848 66.4537 60.7881 -69.0188 162.463 PRESSAVG: 3853400 0.299004 29.3388 18.9396 29.3388 -52.3013 -24.8344 18.9396 -24.8344 -11.9464 GPRESSAVG: 3853400 2.67253 30.1921 17.0372 28.9443 -54.2699 -24.1968 20.2704 -26.2962 -12.2051 TIMING: 3853400 CPU: 12240.1, 0.00317226/step Wall: 12240.1, 0.00317226/step, 1.01036 hours remaining, 242.093750 MB of memory in use. ENERGY: 3853400 3917.3983 20517.9340 14415.1537 240.0098 -203397.6313 2669.6964 0.0000 0.0000 51837.5061 -109799.9330 297.9109 -161637.4391 -109442.5198 298.6544 130.7687 159.7914 759132.8393 -21.3162 -21.2675 PRESSURE: 3853600 23.1702 158.845 -48.0007 158.845 77.1196 109.979 -48.0001 109.979 175.889 GPRESSURE: 3853600 88.6171 188.165 -140.285 70.7132 96.9322 185.596 -13.2328 174.557 175.463 PRESSAVG: 3853600 25.3012 -55.1944 23.2532 -55.1944 -30.7166 -2.55389 23.2532 -2.55382 7.86209 GPRESSAVG: 3853600 24.2493 -53.0214 23.2022 -53.9617 -28.9415 -2.89632 22.6033 -0.538839 7.4153 TIMING: 3853600 CPU: 12240.8, 0.00316506/step Wall: 12240.8, 0.00316507/step, 1.0079 hours remaining, 242.093750 MB of memory in use. ENERGY: 3853600 3972.1180 20434.0204 14466.5718 229.7367 -203366.9463 2446.0443 0.0000 0.0000 52041.1147 -109777.3404 299.0810 -161818.4551 -109412.6097 298.5138 92.0596 120.3375 760116.3883 0.8156 0.9077 PRESSURE: 3853800 6.06729 146.369 48.8013 146.369 63.0114 -157.534 48.8017 -157.534 104.127 GPRESSURE: 3853800 -7.65304 157.867 -5.01608 78.3999 136.85 -167.381 22.9009 -102.856 114.151 PRESSAVG: 3853800 18.1941 -53.0557 9.63784 -53.0557 7.10199 30.3159 9.63783 30.3159 2.56724 GPRESSAVG: 3853800 18.364 -56.5185 10.8152 -54.4399 6.74597 30.0177 8.09965 31.0271 2.9088 TIMING: 3853800 CPU: 12241.4, 0.00316752/step Wall: 12241.4, 0.00316752/step, 1.0085 hours remaining, 242.093750 MB of memory in use. ENERGY: 3853800 3926.0187 20353.8654 14484.9797 232.0583 -203514.7034 2504.1343 0.0000 0.0000 52061.6635 -109951.9835 299.1991 -162013.6470 -109578.9817 298.6887 57.7354 81.1160 760246.0573 9.2878 9.3396 PRESSURE: 3854000 77.7903 -17.7137 -42.4522 -17.7139 -30.0575 -145.203 -42.4522 -145.202 -0.245907 GPRESSURE: 3854000 55.4275 61.9847 -49.4687 -0.492499 45.9014 -198.959 -53.4339 -230.536 48.3096 PRESSAVG: 3854000 24.888 -7.59706 35.3102 -7.5971 19.3204 -36.0562 35.3102 -36.0562 11.4904 GPRESSAVG: 3854000 24.3342 -7.25089 34.8888 -8.65923 19.5328 -37.0809 36.3812 -36.535 12.5277 TIMING: 3854000 CPU: 12242, 0.00315994/step Wall: 12242, 0.00315994/step, 1.00591 hours remaining, 242.093750 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: 3854000 4044.9235 20414.1765 14431.7476 249.9119 -203705.1444 2728.4299 0.0000 0.0000 51994.3707 -109841.5843 298.8124 -161835.9550 -109483.5613 299.0669 15.8290 49.8795 760297.5389 18.5662 18.7982 PRESSURE: 3854200 -288.653 -127.779 -40.5793 -127.78 -221.303 151.202 -40.5796 151.202 -194.341 GPRESSURE: 3854200 -217.778 -190.596 -82.2018 -118.286 -209.812 180.02 -53.1141 44.7448 -187.643 PRESSAVG: 3854200 -65.502 -27.1018 -27.6117 -27.1019 17.8618 -21.2517 -27.6117 -21.2517 -21.1413 GPRESSAVG: 3854200 -65.4237 -25.7076 -28.5977 -24.3777 19.6195 -19.0026 -27.3854 -22.4786 -22.4978 TIMING: 3854200 CPU: 12242.6, 0.00315722/step Wall: 12242.6, 0.00315722/step, 1.00487 hours remaining, 242.093750 MB of memory in use. ENERGY: 3854200 4026.8947 20545.3899 14408.9680 248.4290 -203436.0314 2526.4073 0.0000 0.0000 52073.5669 -109606.3757 299.2675 -161679.9425 -109245.9364 299.1979 -234.7657 -205.0774 761157.9243 -22.9272 -22.7673 PRESSURE: 3854400 -5.53319 154.274 -54.3196 154.274 22.8643 19.4666 -54.3197 19.4664 176.232 GPRESSURE: 3854400 50.7383 194.393 3.76236 127.384 -3.62751 -19.7275 -72.2895 44.3238 227.629 PRESSAVG: 3854400 35.45 28.7723 -73.9833 28.7723 21.6869 -33.5848 -73.9833 -33.5849 14.3022 GPRESSAVG: 3854400 34.7121 27.8441 -71.1756 27.0047 21.1797 -35.3413 -75.1581 -34.2089 15.3444 TIMING: 3854400 CPU: 12243.3, 0.00313959/step Wall: 12243.3, 0.00313959/step, 0.999086 hours remaining, 242.093750 MB of memory in use. ENERGY: 3854400 3919.2888 20471.4274 14500.8017 236.8879 -203244.1464 2687.1478 0.0000 0.0000 52127.6213 -109300.9716 299.5782 -161428.5928 -108935.3481 300.0076 64.5209 91.5799 761422.1197 23.8130 23.7454 PRESSURE: 3854600 -98.4096 -61.7476 -207.197 -61.7469 -204.685 -146.429 -207.197 -146.429 -553.425 GPRESSURE: 3854600 -46.0122 -204.98 -158.459 -169.489 -182.139 -77.43 -244.023 -14.8199 -545.403 PRESSAVG: 3854600 11.4227 37.8451 -23.2924 37.8451 -18.0212 -72.6847 -23.2924 -72.6846 28.4498 GPRESSAVG: 3854600 13.4693 37.1067 -23.2841 37.3876 -19.2681 -72.4788 -22.9107 -72.5486 27.6867 TIMING: 3854600 CPU: 12243.9, 0.00315137/step Wall: 12243.9, 0.00315137/step, 1.00266 hours remaining, 242.093750 MB of memory in use. ENERGY: 3854600 3982.3970 20530.7211 14388.0412 225.2328 -203055.8744 2489.0172 0.0000 0.0000 51985.7956 -109454.6694 298.7631 -161440.4651 -109095.2513 299.3495 -285.5065 -257.8516 763132.9266 7.2838 7.2960 PRESSURE: 3854800 -256.328 57.1642 88.1326 57.1639 -75.0347 -149.242 88.1333 -149.242 -37.979 GPRESSURE: 3854800 -207.515 101.902 -76.7639 -10.1344 -57.5711 -204.601 134.048 -84.6881 -9.11308 PRESSAVG: 3854800 -2.25973 -17.6189 -56.3896 -17.6189 -26.1255 -35.7814 -56.3896 -35.7814 -17.4423 GPRESSAVG: 3854800 -3.6245 -15.6771 -59.4072 -17.5061 -25.1468 -36.3091 -56.0624 -34.8621 -17.1063 TIMING: 3854800 CPU: 12244.5, 0.00315226/step Wall: 12244.5, 0.00315226/step, 1.00277 hours remaining, 242.093750 MB of memory in use. ENERGY: 3854800 3959.4398 20505.2835 14407.1603 255.0858 -203068.1325 2326.6172 0.0000 0.0000 52126.3300 -109488.2158 299.5707 -161614.5459 -109121.9617 299.3323 -123.1139 -91.3997 761687.7659 -15.2759 -15.2925 PRESSURE: 3855000 54.3569 -137.479 -36.6168 -137.48 -108.989 -13.6396 -36.6171 -13.6406 200.737 GPRESSURE: 3855000 226.022 -130.855 -51.3025 3.01442 -157.684 -1.89993 21.0774 106.232 148.429 PRESSAVG: 3855000 -16.0512 25.209 -46.2655 25.2089 -44.1465 29.7331 -46.2655 29.733 -13.2417 GPRESSAVG: 3855000 -14.9517 23.8592 -45.3904 25.6727 -45.314 30.5625 -44.6717 29.6062 -12.8011 TIMING: 3855000 CPU: 12245.2, 0.00313869/step Wall: 12245.2, 0.00313869/step, 0.998278 hours remaining, 242.093750 MB of memory in use. ENERGY: 3855000 4032.1557 20451.6843 14389.1312 249.7515 -203352.0538 2568.9749 0.0000 0.0000 52199.4522 -109460.9041 299.9910 -161660.3563 -109099.0387 299.0125 48.7017 72.2557 761983.4876 -24.4798 -24.3556 PRESSURE: 3855200 61.8181 -206.905 -24.4445 -206.904 -42.1181 -27.2924 -24.4454 -27.2936 13.4069 GPRESSURE: 3855200 89.2265 -162.737 3.18181 -88.1456 -24.6975 -35.3436 -33.2716 -63.807 33.7287 PRESSAVG: 3855200 18.4502 47.7258 -7.48209 47.7258 2.16337 -6.04996 -7.48219 -6.04992 21.2203 GPRESSAVG: 3855200 20.4163 48.9102 -7.28701 47.7619 2.10421 -6.48512 -7.98445 -6.90249 19.1725 TIMING: 3855200 CPU: 12245.8, 0.00315384/step Wall: 12245.8, 0.00315384/step, 1.00292 hours remaining, 242.093750 MB of memory in use. ENERGY: 3855200 3915.0035 20500.4161 14457.7742 229.3857 -203269.9293 2468.7621 0.0000 0.0000 52007.1837 -109691.4041 298.8860 -161698.5877 -109331.1991 299.0851 11.0357 32.7526 761588.6679 13.9446 13.8977 PRESSURE: 3855400 -70.6765 168.216 -189.772 168.215 250.456 37.0211 -189.772 37.0194 -509.361 GPRESSURE: 3855400 -21.3365 155.35 -262.52 79.2941 242.058 -8.2606 -266.39 113.892 -459.289 PRESSAVG: 3855400 -53.5297 -19.3123 18.8509 -19.3123 -24.5167 -11.7526 18.8509 -11.7526 3.32001 GPRESSAVG: 3855400 -55.3857 -19.9628 19.9024 -19.5201 -24.3474 -12.4838 16.1772 -10.0418 5.66149 TIMING: 3855400 CPU: 12246.4, 0.00317008/step Wall: 12246.4, 0.00317008/step, 1.00791 hours remaining, 242.093750 MB of memory in use. ENERGY: 3855400 4040.7914 20579.0307 14444.4086 234.1231 -202817.4810 2301.8191 0.0000 0.0000 51754.4054 -109462.9028 297.4333 -161217.3081 -109104.0542 298.9162 -109.8606 -79.5227 759822.6913 -24.9088 -24.6905 PRESSURE: 3855600 -61.201 87.145 26.3138 87.1447 -145.16 86.2809 26.3142 86.2813 26.9423 GPRESSURE: 3855600 -55.208 123.323 152.916 159.615 -45.1767 113.111 35.939 74.5037 31.016 PRESSAVG: 3855600 21.212 26.5376 -22.9118 26.5375 17.5746 9.99243 -22.9119 9.99238 -8.64335 GPRESSAVG: 3855600 22.1453 24.968 -22.218 26.6831 17.4271 10.5561 -22.8804 7.63274 -9.86822 TIMING: 3855600 CPU: 12247.1, 0.00317131/step Wall: 12247.1, 0.00317131/step, 1.00812 hours remaining, 242.093750 MB of memory in use. ENERGY: 3855600 3870.1014 20668.3582 14422.7299 221.4701 -203432.9060 2571.0285 0.0000 0.0000 52072.8123 -109606.4054 299.2632 -161679.2177 -109244.3605 299.0887 -59.8064 -23.1229 761546.7758 10.0477 9.9014 PRESSURE: 3855800 -21.9461 -172.359 195.23 -172.358 -156.687 146.54 195.23 146.54 -453.961 GPRESSURE: 3855800 3.88149 -176.134 184.901 -164.447 -154.049 259.667 165.739 69.1092 -385.828 PRESSAVG: 3855800 -70.4373 33.6686 43.3332 33.6686 18.8251 -68.7463 43.3333 -68.7462 2.65015 GPRESSAVG: 3855800 -72.1583 35.7233 41.278 33.896 19.6551 -68.0479 45.8515 -66.406 3.32419 TIMING: 3855800 CPU: 12247.7, 0.00314845/step Wall: 12247.7, 0.00314845/step, 1.00068 hours remaining, 242.093750 MB of memory in use. ENERGY: 3855800 4006.7670 20385.1587 14480.9669 232.4848 -203407.8359 2638.7088 0.0000 0.0000 52337.7551 -109325.9947 300.7858 -161663.7497 -108951.9238 299.2561 -210.8645 -178.6652 763113.0581 -16.3207 -16.3930 PRESSURE: 3856000 -167.733 23.4076 28.2949 23.4084 83.6438 45.3992 28.295 45.3986 -352.278 GPRESSURE: 3856000 -105.062 25.9899 128.148 -6.26689 41.7339 129.4 83.9259 -70.2611 -303.702 PRESSAVG: 3856000 -67.3493 -63.828 0.797098 -63.828 63.0859 24.3913 0.797112 24.3912 -24.6618 GPRESSAVG: 3856000 -67.3395 -63.9106 3.36291 -64.7419 62.7183 24.2433 0.438449 22.8204 -24.5251 TIMING: 3856000 CPU: 12248.3, 0.00324558/step Wall: 12248.3, 0.00324558/step, 1.03137 hours remaining, 242.093750 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: 3856000 4052.8910 20578.9784 14385.7118 246.6641 -203239.8692 2642.3255 0.0000 0.0000 52030.7724 -109302.5259 299.0216 -161333.2983 -108944.7659 299.8696 -145.4556 -122.3435 762251.3766 -9.6417 -9.7154 PRESSURE: 3856200 -345.848 121.959 247.549 121.958 -215.141 -16.8797 247.55 -16.8809 82.818 GPRESSURE: 3856200 -298.301 35.7776 250.189 65.7041 -132.165 -94.0497 103.819 -15.8577 39.1397 PRESSAVG: 3856200 -21.5471 33.0656 41.1071 33.0656 4.30725 -13.2307 41.107 -13.2308 -4.57382 GPRESSAVG: 3856200 -20.0014 30.8636 41.2808 34.1731 3.83493 -14.7855 37.7614 -12.5098 -4.96123 TIMING: 3856200 CPU: 12249, 0.00317783/step Wall: 12249, 0.00317783/step, 1.00967 hours remaining, 242.093750 MB of memory in use. ENERGY: 3856200 4052.5629 20559.3311 14508.8037 243.3660 -203322.8601 2537.3375 0.0000 0.0000 52092.1821 -109329.2769 299.3745 -161421.4589 -108968.3142 299.5851 -159.3902 -130.4419 761442.1703 -7.2712 -7.0426 LDB: ============= START OF LOAD BALANCING ============== 12261.4 LDB: ============== END OF LOAD BALANCING =============== 12261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.4 LDB: ============= START OF LOAD BALANCING ============== 12261.8 LDB: Largest compute 7074 load 0.036612 is 18.7% of average load 0.195480 LDB: Average compute 0.004373 is 2.2% of average load 0.195480 LDB: TIME 12261.8 LOAD: AVG 0.19548 MAX 0.220606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 12261.8 LOAD: AVG 0.19548 MAX 0.220606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: TIME 12261.8 LOAD: AVG 0.19548 MAX 0.216896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.133 MB LDB: ============== END OF LOAD BALANCING =============== 12261.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.8 PRESSURE: 3856400 244.678 12.5597 58.3413 12.5598 -18.7486 125.502 58.3408 125.502 52.7851 GPRESSURE: 3856400 243.41 81.5433 -40.126 -45.7368 32.1738 85.0622 129.297 86.7782 95.6436 PRESSAVG: 3856400 46.644 -36.7561 10.646 -36.7561 -35.4827 -40.8629 10.6461 -40.863 -4.33825 GPRESSAVG: 3856400 46.1575 -35.3163 9.83785 -37.4125 -33.9696 -41.2568 13.9063 -41.5535 -5.02938 TIMING: 3856400 CPU: 12249.6, 0.00324345/step Wall: 12249.6, 0.00324345/step, 1.03033 hours remaining, 240.039062 MB of memory in use. ENERGY: 3856400 4006.3987 20617.0335 14468.0753 239.4077 -203023.8361 2216.7645 0.0000 0.0000 51982.6163 -109493.5401 298.7448 -161476.1564 -109135.2099 299.6091 92.9047 123.7425 759790.1706 2.2743 2.3862 PRESSURE: 3856600 -274.948 -36.3775 25.4841 -36.3775 -105.801 -17.2506 25.4851 -17.2498 -314.589 GPRESSURE: 3856600 -178.676 81.248 48.7173 -1.92582 -156.659 100.166 -64.8794 -8.86366 -271.858 PRESSAVG: 3856600 9.27588 -16.4412 5.4675 -16.4411 8.3538 27.2255 5.4675 27.2256 13.2748 GPRESSAVG: 3856600 9.78063 -15.0747 4.92374 -17.2433 7.62077 30.1534 3.65476 27.1484 13.7096 TIMING: 3856600 CPU: 12250.3, 0.00318131/step Wall: 12250.3, 0.00318131/step, 1.01042 hours remaining, 240.242188 MB of memory in use. ENERGY: 3856600 3996.2475 20632.3227 14445.7159 244.9781 -203372.5855 2237.5980 0.0000 0.0000 52281.8869 -109533.8364 300.4647 -161815.7233 -109175.8958 299.3853 -231.7794 -202.3976 761617.3492 10.3015 10.3703 PRESSURE: 3856800 49.7285 202.063 -117.281 202.063 393.404 -244.521 -117.28 -244.521 -30.0501 GPRESSURE: 3856800 148.213 169.462 -233.199 112.367 271.624 -276.54 -5.21411 -253.756 89.3213 PRESSAVG: 3856800 -34.1281 17.5403 44.3789 17.5403 -17.0484 49.24 44.3789 49.24 11.8536 GPRESSAVG: 3856800 -32.9507 15.7062 45.1222 17.3705 -18.5193 48.4994 44.6033 48.7118 12.6551 TIMING: 3856800 CPU: 12250.9, 0.00317791/step Wall: 12250.9, 0.00317791/step, 1.00916 hours remaining, 240.242188 MB of memory in use. ENERGY: 3856800 3978.0670 20528.9024 14418.8048 247.3775 -203719.2258 2944.3379 0.0000 0.0000 52113.5796 -109488.1566 299.4975 -161601.7362 -109122.3201 299.1529 137.6941 169.7194 761131.1403 -13.1077 -12.9383 PRESSURE: 3857000 119.52 -203.473 79.0298 -203.473 -135.18 50.9719 79.0302 50.9714 98.1354 GPRESSURE: 3857000 129.911 -149.628 211.739 -106.595 -71.9748 159.693 16.9144 77.1291 106.784 PRESSAVG: 3857000 62.4403 -9.25303 2.96305 -9.25299 -29.1068 -26.2906 2.96307 -26.2905 -1.38204 GPRESSAVG: 3857000 61.025 -8.76148 2.83264 -7.62846 -28.1164 -25.7331 3.90904 -25.4658 -1.38872 TIMING: 3857000 CPU: 12251.5, 0.00315514/step Wall: 12251.5, 0.00315515/step, 1.00176 hours remaining, 240.242188 MB of memory in use. ENERGY: 3857000 4009.0902 20521.8689 14467.0653 263.4596 -203376.2965 2542.0062 0.0000 0.0000 51851.6332 -109721.1731 297.9920 -161572.8063 -109368.5465 299.2880 27.4919 54.9068 759917.2706 10.6505 10.5066 PRESSURE: 3857200 -359.541 93.9364 -17.079 93.9364 -113.546 182.78 -17.0785 182.781 -398.937 GPRESSURE: 3857200 -248.255 77.1237 -12.7432 194.609 -166.245 196.043 -0.00668863 85.9387 -371.07 PRESSAVG: 3857200 -26.1631 15.3397 52.0178 15.3398 -24.138 26.5896 52.0179 26.5895 7.75319 GPRESSAVG: 3857200 -26.1718 14.2266 50.9665 16.7917 -23.4245 25.6423 51.2549 23.7297 7.08431 TIMING: 3857200 CPU: 12252.2, 0.0031508/step Wall: 12252.2, 0.0031508/step, 1.0002 hours remaining, 240.242188 MB of memory in use. ENERGY: 3857200 3971.6043 20580.7951 14353.1622 246.2053 -203400.9103 2369.3727 0.0000 0.0000 51872.5793 -110007.1914 298.1124 -161879.7707 -109649.8622 298.4299 -290.6748 -261.8567 762502.0002 -14.1826 -14.1707 PRESSURE: 3857400 508.837 -106.277 -4.02758 -106.277 129.608 198.651 -4.0277 198.65 255.101 GPRESSURE: 3857400 518.387 -66.7992 9.69018 -83.7492 152.597 230.032 -64.2081 191.75 318.813 PRESSAVG: 3857400 -9.43316 -2.70906 8.61517 -2.70904 33.1886 33.1724 8.61515 33.1724 0.797343 GPRESSAVG: 3857400 -9.31194 -2.23625 9.25564 -3.23141 32.073 32.663 9.25668 35.0316 1.91976 TIMING: 3857400 CPU: 12252.8, 0.00316696/step Wall: 12252.8, 0.00316696/step, 1.00516 hours remaining, 240.242188 MB of memory in use. ENERGY: 3857400 4025.5510 20425.1590 14423.4895 245.8793 -203829.5156 2846.1693 0.0000 0.0000 51972.4848 -109890.7827 298.6866 -161863.2674 -109524.6103 298.1244 297.8486 329.9324 760238.1477 8.1843 8.2270 PRESSURE: 3857600 202.535 196.921 -6.31735 196.922 -347.159 214.618 -6.31724 214.618 231.904 GPRESSURE: 3857600 211.076 227.051 17.3052 239.475 -219.983 199.294 5.82837 56.0098 180.282 PRESSAVG: 3857600 -8.61084 -4.93225 18.8312 -4.93227 -33.4707 -11.8087 18.8313 -11.8087 -12.8799 GPRESSAVG: 3857600 -9.22616 -4.78311 18.3719 -3.03124 -32.194 -10.8167 16.9556 -11.3761 -13.5625 TIMING: 3857600 CPU: 12253.4, 0.00316666/step Wall: 12253.4, 0.00316666/step, 1.00489 hours remaining, 240.242188 MB of memory in use. ENERGY: 3857600 3997.6351 20541.5925 14448.6539 260.0738 -203230.5925 2309.0819 0.0000 0.0000 51961.7200 -109711.8353 298.6247 -161673.5554 -109346.2288 298.5691 29.0932 57.1248 760103.2817 -18.3205 -18.3276 PRESSURE: 3857800 151.306 12.2887 243.388 12.2888 330.655 125.616 243.389 125.615 219.043 GPRESSURE: 3857800 155.44 -0.379005 331.543 48.4655 287.647 174.461 151.245 53.6284 352.586 PRESSAVG: 3857800 31.2601 20.3287 29.672 20.3287 -34.8816 -25.3511 29.6721 -25.351 19.9204 GPRESSAVG: 3857800 31.2805 19.8205 29.6565 18.5236 -34.8491 -27.561 31.2979 -23.6282 20.2195 TIMING: 3857800 CPU: 12254.1, 0.00316568/step Wall: 12254.1, 0.00316568/step, 1.0044 hours remaining, 240.242188 MB of memory in use. ENERGY: 3857800 3953.8769 20479.7557 14484.9826 240.0183 -203308.2809 2473.9914 0.0000 0.0000 52078.6033 -109597.0527 299.2964 -161675.6560 -109241.7543 299.1092 233.6682 265.2242 760471.4552 5.4329 5.5503 PRESSURE: 3858000 -181.193 -217.669 13.8441 -217.669 -229.347 142.294 13.8445 142.293 -180.344 GPRESSURE: 3858000 -96.0078 -342.931 -48.6966 -180.513 -150.039 130.343 18.4026 31.5981 -240.667 PRESSAVG: 3858000 -43.1008 19.6385 -9.30025 19.6385 2.51858 1.01705 -9.30027 1.017 9.08173 GPRESSAVG: 3858000 -42.0058 20.6353 -9.93063 18.9348 2.20217 2.48455 -10.7109 -0.452874 8.12575 TIMING: 3858000 CPU: 12254.7, 0.00316709/step Wall: 12254.7, 0.00316709/step, 1.00467 hours remaining, 240.242188 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: 3858000 3988.0016 20411.1301 14424.1149 246.1301 -203246.2442 2431.5750 0.0000 0.0000 52258.2039 -109487.0884 300.3286 -161745.2923 -109124.3453 299.1424 -196.9613 -162.2380 761198.3036 -10.5002 -10.5593 PRESSURE: 3858200 -585.735 -76.2713 -169.199 -76.2718 -234.817 30.2422 -169.199 30.2408 -100.264 GPRESSURE: 3858200 -468.549 10.9665 -149.543 -122.231 -310.555 31.2028 -238.54 143.517 -55.8222 PRESSAVG: 3858200 -18.5944 -7.05829 -25.9387 -7.05835 50.1697 -5.39144 -25.9387 -5.39145 -5.37535 GPRESSAVG: 3858200 -18.9025 -6.8931 -26.1789 -8.17278 50.4073 -5.24105 -24.2754 -5.05519 -5.33331 TIMING: 3858200 CPU: 12255.3, 0.00316506/step Wall: 12255.3, 0.00316506/step, 1.00385 hours remaining, 240.242188 MB of memory in use. ENERGY: 3858200 4015.8226 20675.3951 14404.9145 233.7311 -203191.0489 2233.6295 0.0000 0.0000 52100.6924 -109526.8637 299.4234 -161627.5561 -109172.6663 299.1279 -306.9386 -278.3089 761174.0559 8.7333 8.7239 PRESSURE: 3858400 218.644 39.8506 34.7564 39.8505 358.584 254.808 34.7561 254.809 175.544 GPRESSURE: 3858400 255.449 144.368 127.649 -10.9151 332.171 202.939 3.48625 187.052 246.69 PRESSAVG: 3858400 -8.86285 21.4108 -48.826 21.4107 -20.8704 55.631 -48.826 55.631 13.2019 GPRESSAVG: 3858400 -8.94875 21.3245 -48.7249 22.174 -21.3138 55.7562 -49.5942 55.4739 13.4262 TIMING: 3858400 CPU: 12256, 0.0031588/step Wall: 12256, 0.0031588/step, 1.00169 hours remaining, 240.242188 MB of memory in use. ENERGY: 3858400 3982.4692 20511.9727 14431.9102 250.7941 -203744.9118 2699.1605 0.0000 0.0000 51944.2133 -109924.3917 298.5241 -161868.6049 -109557.9619 299.2854 250.9243 278.1032 759122.6661 -5.5105 -5.6121 PRESSURE: 3858600 -21.3479 11.4675 -122.991 11.4682 -247.52 -146.406 -122.991 -146.405 -37.1837 GPRESSURE: 3858600 -55.2946 20.962 -146.483 -90.6988 -114.695 -256.63 -157.534 -99.6214 -34.4237 PRESSAVG: 3858600 24.5548 -35.5952 -40.8428 -35.5952 -15.0895 6.83782 -40.8428 6.83776 28.6115 GPRESSAVG: 3858600 24.3367 -34.8009 -40.1415 -36.6311 -15.4162 7.74316 -42.2691 7.2726 29.0721 TIMING: 3858600 CPU: 12256.6, 0.0031469/step Wall: 12256.6, 0.0031469/step, 0.997743 hours remaining, 240.242188 MB of memory in use. ENERGY: 3858600 3916.4816 20402.9800 14468.0303 238.0415 -203166.0354 2467.3567 0.0000 0.0000 52078.5662 -109594.5792 299.2962 -161673.1454 -109227.0656 298.4853 -102.0173 -68.1378 761756.5461 12.6923 12.6642 PRESSURE: 3858800 313.859 21.7012 82.3019 21.7018 230.857 -26.5356 82.3021 -26.5355 102.02 GPRESSURE: 3858800 381.414 -25.4821 83.3907 26.9412 340.015 54.1796 38.7006 45.5208 19.48 PRESSAVG: 3858800 -11.1646 -34.8319 -10.6843 -34.8318 -2.46533 -2.26504 -10.6843 -2.26502 8.99229 GPRESSAVG: 3858800 -11.8723 -39.3166 -8.04486 -33.2114 -0.239893 -2.59316 -10.2451 -1.16915 8.13429 TIMING: 3858800 CPU: 12257.2, 0.00313593/step Wall: 12257.2, 0.00313593/step, 0.994091 hours remaining, 240.242188 MB of memory in use. ENERGY: 3858800 3886.3976 20514.2394 14466.1013 242.3474 -203912.3623 2921.5036 0.0000 0.0000 52142.5876 -109739.1853 299.6642 -161881.7730 -109375.6455 298.6577 215.5788 246.9696 760938.4374 -1.5459 -1.3260 PRESSURE: 3859000 131.915 -19.1199 -82.7678 -19.1202 183.77 -46.801 -82.767 -46.8018 328.738 GPRESSURE: 3859000 165.887 95.8316 -66.464 98.8869 140.641 -145.685 -157.572 -18.3842 424.896 PRESSAVG: 3859000 73.1248 4.35234 -27.3362 4.35236 -33.2481 -4.25194 -27.3362 -4.25193 -5.31341 GPRESSAVG: 3859000 74.0527 7.26583 -29.7907 4.13579 -34.435 -3.7056 -27.4525 -5.3587 -4.86315 TIMING: 3859000 CPU: 12257.8, 0.00314262/step Wall: 12257.8, 0.00314262/step, 0.996036 hours remaining, 240.242188 MB of memory in use. ENERGY: 3859000 4019.6084 20527.3196 14400.4962 244.1574 -203757.1904 2675.7437 0.0000 0.0000 52082.7468 -109807.1182 299.3203 -161889.8650 -109452.8605 299.2223 214.8078 243.8078 759049.4584 11.5211 11.5849 PRESSURE: 3859200 -136.082 -70.6959 36.6241 -70.6958 -174.771 -59.8302 36.6244 -59.8306 -99.3673 GPRESSURE: 3859200 -144.78 -125.513 4.82369 -125.527 -130.856 -123.845 43.8616 -105.488 -67.3028 PRESSAVG: 3859200 47.0711 -20.6634 -13.6364 -20.6634 -13.5274 -14.4818 -13.6364 -14.4818 -12.1361 GPRESSAVG: 3859200 46.5936 -21.7536 -15.2908 -21.2803 -12.7515 -16.658 -13.246 -13.4727 -12.4949 TIMING: 3859200 CPU: 12258.5, 0.00313849/step Wall: 12258.5, 0.00313849/step, 0.994554 hours remaining, 240.242188 MB of memory in use. ENERGY: 3859200 3956.5655 20535.5104 14469.1845 246.8385 -203839.3124 2876.4017 0.0000 0.0000 51954.8251 -109799.9866 298.5851 -161754.8117 -109439.9511 298.8104 -136.7402 -114.3128 760899.8248 7.1359 7.1157 PRESSURE: 3859400 -92.687 78.4689 56.5568 78.4694 -154.543 -202.145 56.5567 -202.144 -427.736 GPRESSURE: 3859400 63.7185 162.87 41.3634 209.707 -231.261 -195.051 101.764 -87.5808 -430.64 PRESSAVG: 3859400 49.031 -16.7766 -7.87914 -16.7767 -27.0121 7.35764 -7.87915 7.35759 12.3499 GPRESSAVG: 3859400 49.4901 -15.7723 -6.99564 -16.3127 -28.3934 8.32017 -7.68501 6.70767 13.0036 TIMING: 3859400 CPU: 12259.1, 0.00315642/step Wall: 12259.1, 0.00315642/step, 1.00006 hours remaining, 240.242188 MB of memory in use. ENERGY: 3859400 4016.3088 20489.7918 14490.9847 250.2899 -203613.7625 2576.2958 0.0000 0.0000 52120.9246 -109669.1669 299.5397 -161790.0914 -109300.5050 298.9368 -224.9886 -199.3942 764245.0259 11.4563 11.3668 PRESSURE: 3859600 155.748 -151.051 46.4306 -151.051 -95.5221 35.5914 46.4304 35.5903 -278.072 GPRESSURE: 3859600 119.935 -114.642 24.7486 -196.794 -31.9629 -33.6599 -82.5011 -7.6202 -225.581 PRESSAVG: 3859600 52.8663 25.5159 10.8007 25.5159 -56.2307 9.90628 10.8007 9.90621 17.7535 GPRESSAVG: 3859600 53.4168 26.3556 12.5525 25.8885 -56.2554 11.5203 9.67347 9.47022 17.5987 TIMING: 3859600 CPU: 12259.7, 0.00315103/step Wall: 12259.7, 0.00315103/step, 0.998177 hours remaining, 240.242188 MB of memory in use. ENERGY: 3859600 3982.2419 20650.2379 14461.3838 243.1184 -203930.8265 2750.4997 0.0000 0.0000 52314.2558 -109529.0890 300.6507 -161843.3448 -109172.4978 299.6720 -72.6153 -45.8697 761646.2411 4.7963 4.9200 PRESSURE: 3859800 2.55944 -198.072 -233.857 -198.072 75.4088 7.72195 -233.857 7.72228 353.425 GPRESSURE: 3859800 65.9194 -350.359 -184.177 -176.297 190.749 89.9432 -65.8851 39.4405 270.703 PRESSAVG: 3859800 -51.3738 -77.6295 -32.2296 -77.6295 -9.40055 -2.11107 -32.2296 -2.11099 7.39194 GPRESSAVG: 3859800 -51.1077 -78.6732 -34.0415 -77.5895 -9.19499 -3.92987 -29.5153 -0.602771 6.60534 TIMING: 3859800 CPU: 12260.4, 0.00313374/step Wall: 12260.4, 0.00313374/step, 0.992525 hours remaining, 240.242188 MB of memory in use. ENERGY: 3859800 3988.7379 20461.2403 14406.4155 231.7560 -203549.5517 2670.2792 0.0000 0.0000 52329.0173 -109462.1054 300.7356 -161791.1228 -109098.0388 299.7425 143.7976 175.7903 760056.1714 -17.7941 -17.8991 PRESSURE: 3860000 213.935 48.1623 -76.6908 48.1633 -128.648 252.425 -76.6903 252.426 67.2433 GPRESSURE: 3860000 318.174 92.2398 -63.9849 86.3286 -161.955 251.378 30.3793 180.921 74.02 PRESSAVG: 3860000 57.6576 -27.4286 -21.0491 -27.4285 -62.6612 -2.10783 -21.0491 -2.10787 -7.6692 GPRESSAVG: 3860000 56.5937 -26.3524 -20.033 -27.5381 -62.1206 -1.64585 -21.9635 -5.17522 -7.16189 TIMING: 3860000 CPU: 12261, 0.00313803/step Wall: 12261, 0.00313803/step, 0.993708 hours remaining, 240.242188 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: 3860000 4002.8892 20578.6471 14464.0097 242.8015 -203187.6013 2487.2972 0.0000 0.0000 52248.8619 -109163.0947 300.2749 -161411.9566 -108806.6360 300.1856 50.8434 76.7464 761740.7079 -4.2243 -4.2296 PRESSURE: 3860200 -461.305 -86.1385 -132.699 -86.1378 -278.156 -152.437 -132.699 -152.437 -147.687 GPRESSURE: 3860200 -363.123 19.2955 -125.495 -113.427 -281.804 -90.8769 -141.255 20.9822 -153.086 PRESSAVG: 3860200 35.6601 -46.9453 -13.4021 -46.9452 -54.4166 -39.0537 -13.4021 -39.0538 5.36993 GPRESSAVG: 3860200 36.6549 -47.7898 -14.3882 -47.8024 -54.4767 -37.8672 -12.0897 -37.6104 4.72729 TIMING: 3860200 CPU: 12261.6, 0.0031439/step Wall: 12261.6, 0.0031439/step, 0.995394 hours remaining, 240.242188 MB of memory in use. ENERGY: 3860200 4060.0638 20642.6637 14517.0039 249.1993 -203152.2660 2258.3089 0.0000 0.0000 52231.2898 -109193.7367 300.1739 -161425.0265 -108845.1926 300.5149 -295.7159 -266.0044 759967.5951 -4.4622 -4.3648 LDB: ============= START OF LOAD BALANCING ============== 12274.1 LDB: ============== END OF LOAD BALANCING =============== 12274.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12274.1 LDB: ============= START OF LOAD BALANCING ============== 12274.4 LDB: Largest compute 7032 load 0.036807 is 18.8% of average load 0.195404 LDB: Average compute 0.004379 is 2.2% of average load 0.195404 LDB: TIME 12274.4 LOAD: AVG 0.195404 MAX 0.218216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 12274.4 LOAD: AVG 0.195404 MAX 0.218216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 12274.4 LOAD: AVG 0.195404 MAX 0.215778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 12274.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12274.4 PRESSURE: 3860400 179.952 164.748 105.291 164.748 -302.908 100.826 105.291 100.827 -484.188 GPRESSURE: 3860400 143.488 140.672 147.22 133.834 -208.361 94.7445 64.7149 -25.6393 -454.993 PRESSAVG: 3860400 16.5728 9.7673 -20.2278 9.7673 -10.9678 -12.1234 -20.2277 -12.1234 8.25851 GPRESSAVG: 3860400 18.0894 9.58767 -20.649 9.99415 -11.9608 -13.9571 -20.7934 -12.0794 8.57206 TIMING: 3860400 CPU: 12262.3, 0.00323474/step Wall: 12262.3, 0.00323474/step, 1.02398 hours remaining, 241.320312 MB of memory in use. ENERGY: 3860400 3983.4846 20516.3175 14542.8892 239.7608 -203311.8146 2405.7656 0.0000 0.0000 52300.1013 -109323.4956 300.5694 -161623.5969 -108948.9533 300.3336 -202.3813 -173.2884 761225.0283 4.6211 4.9002 PRESSURE: 3860600 -167.222 -143.006 203.044 -143.007 -28.4554 -138.344 203.044 -138.344 257.968 GPRESSURE: 3860600 -175.765 -252.952 216.326 -108.301 48.2586 -148.121 210.957 -103.853 267.503 PRESSAVG: 3860600 -7.45667 39.3115 53.4544 39.3116 7.87151 -43.0457 53.4545 -43.0456 16.857 GPRESSAVG: 3860600 -8.1102 38.4583 55.0234 38.6781 9.32307 -42.9971 50.3207 -44.0593 16.3957 TIMING: 3860600 CPU: 12262.9, 0.00315418/step Wall: 12262.9, 0.00315418/step, 0.998299 hours remaining, 241.320312 MB of memory in use. ENERGY: 3860600 4037.1559 20474.7575 14535.8761 243.3831 -203555.1476 2823.1930 0.0000 0.0000 52108.5617 -109332.2203 299.4686 -161440.7820 -108970.2711 300.3223 20.7633 46.6654 762661.2413 5.7573 5.8695 PRESSURE: 3860800 210.909 -72.7214 65.7765 -72.7208 -118.509 16.9897 65.7755 16.9897 167.613 GPRESSURE: 3860800 244.218 -1.92343 143.541 -159.929 -59.6642 9.06228 -89.7368 -118.407 167.63 PRESSAVG: 3860800 -8.93567 -50.5078 49.3631 -50.5077 -3.36676 -49.2127 49.3631 -49.2127 -16.9528 GPRESSAVG: 3860800 -10.6641 -49.1189 48.4174 -48.4653 -3.57651 -48.1134 51.251 -47.9959 -15.312 TIMING: 3860800 CPU: 12263.5, 0.00316075/step Wall: 12263.5, 0.00316075/step, 1.0002 hours remaining, 241.320312 MB of memory in use. ENERGY: 3860800 4050.7676 20713.5971 14446.9153 222.7231 -203825.7810 2714.4336 0.0000 0.0000 52229.5716 -109447.7727 300.1641 -161677.3443 -109087.0387 300.1215 86.6709 117.3948 761135.0233 -9.7517 -9.8509 PRESSURE: 3861000 -11.0032 153.524 -64.2107 153.524 -485.813 -111.827 -64.2103 -111.827 118.547 GPRESSURE: 3861000 47.5205 -26.8343 -142.192 132.697 -395.441 -36.618 -108.071 -11.7695 64.6648 PRESSAVG: 3861000 46.7889 5.90096 -6.90979 5.90091 -43.0644 -28.5517 -6.90967 -28.5517 12.6231 GPRESSAVG: 3861000 47.1559 6.54504 -6.84589 3.33481 -43.3255 -28.2623 -7.40459 -26.4317 12.075 TIMING: 3861000 CPU: 12264.2, 0.00314341/step Wall: 12264.2, 0.00314341/step, 0.994541 hours remaining, 241.320312 MB of memory in use. ENERGY: 3861000 4031.7523 20580.0472 14441.0210 257.7334 -203405.8580 2349.7945 0.0000 0.0000 52076.2769 -109669.2327 299.2831 -161745.5096 -109310.9267 300.0362 -126.0896 -94.4187 760840.3825 5.4492 5.3018 PRESSURE: 3861200 -180.285 -36.2661 50.7168 -36.2663 -111.769 65.6126 50.7166 65.6131 -217.321 GPRESSURE: 3861200 -107.071 -48.1561 26.4962 -108.245 -67.4139 48.9009 -42.8812 49.1818 -253.195 PRESSAVG: 3861200 23.8865 6.9089 -0.655762 6.90892 -43.7866 -23.3867 -0.655736 -23.3867 4.12685 GPRESSAVG: 3861200 24.8128 5.24349 -2.21209 8.26925 -43.8286 -24.7581 0.836358 -27.3753 3.37641 TIMING: 3861200 CPU: 12264.8, 0.00315254/step Wall: 12264.8, 0.00315254/step, 0.997252 hours remaining, 241.320312 MB of memory in use. ENERGY: 3861200 4023.9664 20544.4386 14463.7783 248.6112 -203428.4663 2586.9555 0.0000 0.0000 52064.1294 -109496.5869 299.2133 -161560.7163 -109138.7206 299.4446 -169.7916 -142.5598 762423.8989 -5.2577 -5.2131 PRESSURE: 3861400 132.17 -100.789 201.226 -100.789 72.0324 -95.3609 201.226 -95.3609 -74.4729 GPRESSURE: 3861400 105.542 -9.0902 193.203 -52.3305 148.103 -138.497 133.597 -156.071 -17.1732 PRESSAVG: 3861400 -19.0353 6.06496 23.3504 6.06504 27.8572 3.80011 23.3504 3.8001 20.9934 GPRESSAVG: 3861400 -20.2183 7.85586 23.7658 4.57599 27.6509 2.23596 22.5421 5.34419 22.7064 TIMING: 3861400 CPU: 12265.4, 0.00315865/step Wall: 12265.4, 0.00315865/step, 0.999011 hours remaining, 241.320312 MB of memory in use. ENERGY: 3861400 3938.0474 20638.1474 14537.8873 239.6011 -203567.7997 2714.3310 0.0000 0.0000 51954.3110 -109545.4745 298.5821 -161499.7855 -109188.8325 299.4886 43.2432 78.8238 760670.1840 9.9384 10.0463 PRESSURE: 3861600 26.2249 -62.19 48.3386 -62.1905 3.74644 228.215 48.3389 228.214 -225.999 GPRESSURE: 3861600 89.0895 -152.295 69.5317 -68.9235 56.8626 240.468 -30.6148 175.254 -240.337 PRESSAVG: 3861600 -29.1363 -43.3351 35.105 -43.3351 18.45 -33.6114 35.105 -33.6115 24.2637 GPRESSAVG: 3861600 -28.8443 -44.7968 36.5471 -43.223 18.1039 -30.9286 34.4118 -33.7136 24.5907 TIMING: 3861600 CPU: 12266, 0.00314818/step Wall: 12266, 0.00314818/step, 0.995525 hours remaining, 241.320312 MB of memory in use. ENERGY: 3861600 4022.0052 20365.7402 14451.5200 245.3704 -203476.2082 2695.6538 0.0000 0.0000 52110.9609 -109584.9578 299.4824 -161695.9187 -109216.3195 299.1448 -65.3425 -31.4617 760529.3452 4.5258 4.6168 PRESSURE: 3861800 -208.356 -77.1412 -29.4117 -77.1412 -285.747 223.264 -29.4121 223.264 -222.593 GPRESSURE: 3861800 -145.743 -13.0478 -11.252 -41.4819 -201.41 169.413 -112.854 278.104 -259.009 PRESSAVG: 3861800 -31.1661 -83.8587 33.3916 -83.8587 54.8051 18.4817 33.3915 18.4817 -4.22367 GPRESSAVG: 3861800 -31.4037 -81.9426 32.9785 -84.7077 56.2935 17.6843 32.521 18.3457 -5.76947 TIMING: 3861800 CPU: 12266.7, 0.00314863/step Wall: 12266.7, 0.00314863/step, 0.995492 hours remaining, 241.320312 MB of memory in use. ENERGY: 3861800 4073.6069 20428.6623 14468.0510 259.9000 -203366.7765 2551.8009 0.0000 0.0000 52088.2601 -109496.4954 299.3519 -161584.7554 -109143.5529 299.5664 -238.8987 -202.0540 758961.1476 6.4717 6.3734 PRESSURE: 3862000 -72.458 -95.5514 -243.657 -95.5518 40.2907 -182.511 -243.657 -182.511 -392.267 GPRESSURE: 3862000 -1.15127 -69.3544 -150.333 -4.8219 0.0914857 -185.336 -243.426 -131.981 -333.885 PRESSAVG: 3862000 -0.0314991 15.2344 -15.7227 15.2344 -42.6836 14.1951 -15.7227 14.1951 0.980506 GPRESSAVG: 3862000 1.28215 13.854 -16.0693 17.7446 -43.4744 15.2103 -13.9302 14.5231 1.16375 TIMING: 3862000 CPU: 12267.3, 0.00311794/step Wall: 12267.3, 0.00311794/step, 0.985615 hours remaining, 241.320312 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: 3862000 3994.1079 20645.3877 14471.2275 247.3099 -203343.3592 2636.5032 0.0000 0.0000 51900.4199 -109448.4032 298.2724 -161348.8231 -109083.6697 299.8667 -141.4781 -111.6484 759385.7926 -13.9115 -13.6762 PRESSURE: 3862200 162.382 -99.0995 172.11 -99.0984 340.861 188.618 172.11 188.617 -294.578 GPRESSURE: 3862200 178.541 105.319 209.232 -23.2694 329.382 131.094 98.9063 142.91 -245.498 PRESSAVG: 3862200 10.7661 -41.3083 8.78455 -41.3083 -16.9463 8.61119 8.78454 8.61117 7.37525 GPRESSAVG: 3862200 10.0241 -40.669 10.1535 -41.3154 -18.8109 6.34821 7.13251 10.0091 9.33949 TIMING: 3862200 CPU: 12267.9, 0.0031397/step Wall: 12267.9, 0.0031397/step, 0.992321 hours remaining, 241.320312 MB of memory in use. ENERGY: 3862200 3987.4659 20554.5274 14426.8192 249.5676 -203261.6925 2446.2447 0.0000 0.0000 52181.9493 -109415.1183 299.8904 -161597.0677 -109057.4019 299.8367 69.5549 87.4746 761373.8642 0.3983 0.1842 PRESSURE: 3862400 -94.676 -23.2746 -95.9501 -23.2749 141.41 -34.9882 -95.9493 -34.9875 -240.25 GPRESSURE: 3862400 -121.36 -92.3241 -125.305 -25.8481 204.854 -59.8324 -79.7543 55.7027 -181.188 PRESSAVG: 3862400 57.8359 -0.944892 -25.0322 -0.944832 -25.4542 14.2633 -25.0322 14.2633 1.52779 GPRESSAVG: 3862400 57.743 -0.894069 -25.9007 -2.89937 -23.7722 14.7862 -23.6366 14.4624 0.203517 TIMING: 3862400 CPU: 12268.6, 0.00313329/step Wall: 12268.6, 0.00313329/step, 0.99012 hours remaining, 241.320312 MB of memory in use. ENERGY: 3862400 3990.3667 20584.0148 14467.6031 242.7736 -204072.9455 3021.5842 0.0000 0.0000 52095.3871 -109671.2160 299.3929 -161766.6031 -109315.5995 299.5931 -64.5052 -32.5647 760213.6923 11.3032 11.3914 PRESSURE: 3862600 287.501 -190.772 9.20029 -190.772 -68.5162 -213.239 9.20145 -213.239 -72.8961 GPRESSURE: 3862600 312.289 -310.681 94.8519 -290.447 -13.816 -255.055 55.7181 -243.862 -62.0556 PRESSAVG: 3862600 -22.7162 -29.9538 -1.98202 -29.9538 12.448 -50.8705 -1.98197 -50.8705 -5.85425 GPRESSAVG: 3862600 -23.3364 -31.0122 -1.95677 -29.0498 12.0342 -50.7454 -2.82429 -53.3086 -4.44603 TIMING: 3862600 CPU: 12269.2, 0.0031418/step Wall: 12269.2, 0.0031418/step, 0.992634 hours remaining, 241.320312 MB of memory in use. ENERGY: 3862600 4048.3182 20634.0966 14408.6706 270.4528 -203447.0089 2571.4357 0.0000 0.0000 52103.7831 -109410.2519 299.4412 -161514.0350 -109053.3658 299.8883 48.6961 78.8059 759754.1102 -5.3742 -5.2494 PRESSURE: 3862800 85.6606 75.6142 -144.655 75.6143 -222.885 -91.3692 -144.655 -91.3697 -188.288 GPRESSURE: 3862800 -12.289 59.9626 -69.9513 24.6627 -128.592 -46.1998 -122.132 -143.028 -125.226 PRESSAVG: 3862800 19.9322 -29.4954 48.7789 -29.4954 19.1205 -19.6615 48.7789 -19.6615 4.96169 GPRESSAVG: 3862800 20.4985 -29.9737 47.3265 -30.0663 19.5709 -17.1459 51.6441 -18.7398 3.22909 TIMING: 3862800 CPU: 12269.8, 0.0031425/step Wall: 12269.8, 0.00314249/step, 0.992678 hours remaining, 241.320312 MB of memory in use. ENERGY: 3862800 4004.5651 20702.1338 14417.6811 235.4770 -203271.9249 2326.9729 0.0000 0.0000 52099.6768 -109485.4182 299.4176 -161585.0949 -109119.2380 299.9102 -108.5042 -88.7022 758170.0297 14.6715 14.4328 PRESSURE: 3863000 23.3255 -46.2388 -27.012 -46.2388 -262.601 -116.181 -27.012 -116.182 -124.077 GPRESSURE: 3863000 63.4158 -48.9461 -114.337 -65.1134 -231.711 -62.0869 -73.4006 -95.2947 -90.7696 PRESSAVG: 3863000 16.4576 12.1697 30.0349 12.1697 13.2942 -48.8801 30.0349 -48.8801 15.5811 GPRESSAVG: 3863000 16.0183 13.1699 31.1587 13.5072 12.892 -50.3213 28.8739 -49.6158 16.3354 TIMING: 3863000 CPU: 12270.4, 0.00312763/step Wall: 12270.4, 0.00312763/step, 0.98781 hours remaining, 241.320312 MB of memory in use. ENERGY: 3863000 4001.7423 20545.7659 14405.4921 237.6773 -203326.4706 2478.1010 0.0000 0.0000 51896.4707 -109761.2212 298.2497 -161657.6919 -109406.5642 299.2480 -121.1176 -86.3550 760043.5230 15.1110 15.0819 PRESSURE: 3863200 -269.423 -47.2083 -103.349 -47.2079 -248.623 217.417 -103.347 217.416 -275.397 GPRESSURE: 3863200 -245.834 44.1346 -120.645 26.8137 -201.012 307.814 45.3562 49.3706 -251.968 PRESSAVG: 3863200 13.121 -25.4804 2.7332 -25.4804 -0.875689 -56.9626 2.73324 -56.9626 4.45048 GPRESSAVG: 3863200 13.0595 -25.9744 1.60441 -24.5516 -1.6134 -56.4059 3.49486 -55.4769 4.71414 TIMING: 3863200 CPU: 12271.1, 0.00315137/step Wall: 12271.1, 0.00315137/step, 0.995134 hours remaining, 241.320312 MB of memory in use. ENERGY: 3863200 4049.3966 20587.4170 14441.5220 260.8793 -203599.0478 2511.0167 0.0000 0.0000 52181.3468 -109567.4695 299.8869 -161748.8163 -109210.6349 299.0722 -264.4810 -232.9379 761842.7466 5.5653 5.3867 PRESSURE: 3863400 251.208 272.975 109.748 272.975 -211.36 54.6853 109.748 54.6856 -50.9112 GPRESSURE: 3863400 268.391 286.428 172.417 257.734 -113.687 149.102 111.629 -4.60258 -83.3686 PRESSAVG: 3863400 30.4607 5.71174 15.7893 5.71176 -30.3504 -13.329 15.7894 -13.3291 1.73906 GPRESSAVG: 3863400 30.3068 5.77028 18.8229 6.90485 -29.9243 -14.8713 15.552 -12.6018 1.42346 TIMING: 3863400 CPU: 12271.7, 0.00312403/step Wall: 12271.7, 0.00312403/step, 0.986324 hours remaining, 241.320312 MB of memory in use. ENERGY: 3863400 4004.3332 20584.2214 14462.6081 261.8240 -203506.9091 2508.3388 0.0000 0.0000 51980.5305 -109705.0531 298.7328 -161685.5836 -109353.1319 299.6128 -3.6878 23.7785 760790.3500 0.6165 0.6020 PRESSURE: 3863600 -61.3788 -186.066 329.945 -186.067 -113.61 -152.172 329.946 -152.17 211.545 GPRESSURE: 3863600 -21.4325 -107.945 360.864 -226.22 -72.668 -146.937 242.261 -133.049 207.465 PRESSAVG: 3863600 -9.19377 -33.3438 72.8592 -33.3438 -11.1102 7.73466 72.8593 7.73472 0.0653999 GPRESSAVG: 3863600 -8.94194 -33.0907 70.5887 -36.8999 -10.8212 9.02056 71.9852 5.93999 -0.431417 TIMING: 3863600 CPU: 12272.3, 0.00317579/step Wall: 12272.3, 0.0031758/step, 1.00249 hours remaining, 241.320312 MB of memory in use. ENERGY: 3863600 4021.0078 20576.4131 14548.4075 267.8639 -203413.3915 2219.9479 0.0000 0.0000 52199.0614 -109580.6899 299.9887 -161779.7513 -109220.9371 299.2403 12.1851 37.7881 760596.2607 -6.7462 -6.7315 PRESSURE: 3863800 -265.937 90.5713 -151.31 90.5708 -553.922 -292.2 -151.31 -292.2 -3.35776 GPRESSURE: 3863800 -244.679 136.733 -78.289 116.395 -544.282 -273.094 -219.042 -334.555 57.364 PRESSAVG: 3863800 -40.4674 -24.2065 9.6228 -24.2065 18.8125 -4.83349 9.6228 -4.83355 -6.89775 GPRESSAVG: 3863800 -40.1585 -23.1876 11.1929 -23.2354 18.1173 -6.52597 10.475 -1.80957 -6.37615 TIMING: 3863800 CPU: 12273, 0.00314985/step Wall: 12273, 0.00314985/step, 0.994128 hours remaining, 241.320312 MB of memory in use. ENERGY: 3863800 3989.5749 20574.5051 14473.0750 235.1659 -203096.0415 2292.8928 0.0000 0.0000 51970.4247 -109560.4031 298.6747 -161530.8277 -109198.5798 299.3541 -274.4057 -243.8658 761930.5463 -9.5175 -9.4725 PRESSURE: 3864000 435.983 122.373 -71.9856 122.372 211.437 122.197 -71.9851 122.197 439.705 GPRESSURE: 3864000 408.265 133.862 -144.993 171.418 259.793 122.333 14.4993 190.038 511.837 PRESSAVG: 3864000 -25.9198 23.3896 -5.26127 23.3896 -34.4834 34.4962 -5.26131 34.4962 -2.81146 GPRESSAVG: 3864000 -27.1141 23.3436 -5.2966 23.4028 -33.1936 34.7173 -6.5585 34.6951 -2.63225 TIMING: 3864000 CPU: 12273.6, 0.00316612/step Wall: 12273.6, 0.00316611/step, 0.999085 hours remaining, 241.320312 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: 3864000 4019.8689 20458.8601 14430.0106 240.7053 -204100.3348 3085.3802 0.0000 0.0000 52252.0253 -109613.4844 300.2931 -161865.5096 -109249.5532 299.1975 362.3747 393.2981 759782.7295 -21.0715 -20.9800 PRESSURE: 3864200 56.2172 8.55034 74.8368 8.55009 229.682 -86.2301 74.8361 -86.2304 47.3768 GPRESSURE: 3864200 108.138 32.8665 54.2188 22.4583 291.025 -42.6574 67.5028 -21.0763 25.0456 PRESSAVG: 3864200 -15.1049 -6.08826 16.9621 -6.08829 -14.1443 25.9775 16.962 25.9774 -9.28155 GPRESSAVG: 3864200 -12.9491 -5.67373 17.4047 -6.33272 -15.1562 27.2651 17.7356 23.7072 -10.8001 TIMING: 3864200 CPU: 12274.2, 0.00316297/step Wall: 12274.2, 0.00316297/step, 0.997917 hours remaining, 241.320312 MB of memory in use. ENERGY: 3864200 3998.1356 20603.9405 14371.9976 224.7912 -203345.4869 2605.1831 0.0000 0.0000 52055.2123 -109486.2267 299.1620 -161541.4390 -109134.9862 299.6439 111.0919 141.4031 758801.4917 -12.8436 -12.9685 LDB: ============= START OF LOAD BALANCING ============== 12286.7 LDB: ============== END OF LOAD BALANCING =============== 12286.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12286.7 LDB: ============= START OF LOAD BALANCING ============== 12287 LDB: Largest compute 7060 load 0.034444 is 17.6% of average load 0.195314 LDB: Average compute 0.004374 is 2.2% of average load 0.195314 LDB: TIME 12287 LOAD: AVG 0.195314 MAX 0.219049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.18 MB LDB: TIME 12287 LOAD: AVG 0.195314 MAX 0.219049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.18 MB LDB: TIME 12287 LOAD: AVG 0.195314 MAX 0.217827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.18 MB LDB: ============== END OF LOAD BALANCING =============== 12287 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12287 PRESSURE: 3864400 23.2735 60.6858 153.088 60.6855 -198.02 39.1237 153.089 39.1245 -191.486 GPRESSURE: 3864400 -25.7675 167.785 85.7445 -104.831 -164.994 -16.2709 238.699 25.3185 -102.404 PRESSAVG: 3864400 52.9284 18.9393 19.6802 18.9392 -7.55921 -39.7829 19.6802 -39.7829 -0.859313 GPRESSAVG: 3864400 51.9072 18.5168 17.9124 18.9387 -7.19092 -39.0935 22.0236 -38.6705 -0.790998 TIMING: 3864400 CPU: 12274.9, 0.00321953/step Wall: 12274.9, 0.00321953/step, 1.01558 hours remaining, 238.742188 MB of memory in use. ENERGY: 3864400 3903.5746 20598.4281 14492.8265 256.8556 -203531.2543 2694.0319 0.0000 0.0000 52073.7814 -109511.7561 299.2687 -161585.5376 -109143.5020 299.3223 -122.0777 -97.7217 761160.6549 14.8366 14.6418 PRESSURE: 3864600 64.5995 36.5336 189.006 36.5338 68.0717 185.098 189.006 185.099 273.011 GPRESSURE: 3864600 110.867 62.1613 198.508 -168.325 23.1679 156.81 218.36 78.3135 358.433 PRESSAVG: 3864600 2.65147 -47.5792 -10.3476 -47.5791 -12.3507 -2.75045 -10.3476 -2.75048 -17.5835 GPRESSAVG: 3864600 4.77159 -47.45 -9.02847 -47.8419 -14.0737 -5.45136 -12.6095 -2.30414 -17.7411 TIMING: 3864600 CPU: 12275.5, 0.00315962/step Wall: 12275.5, 0.00315963/step, 0.996511 hours remaining, 238.742188 MB of memory in use. ENERGY: 3864600 4014.1473 20510.2009 14422.3035 240.0967 -203313.5848 2566.6537 0.0000 0.0000 52100.8471 -109459.3356 299.4243 -161560.1827 -109095.4346 299.4486 135.2274 164.1557 761343.4487 -9.0942 -9.0144 PRESSURE: 3864800 -338.668 -117.52 -109.536 -117.52 -31.1524 96.8865 -109.536 96.885 -237.345 GPRESSURE: 3864800 -333.452 -176.434 -2.20124 -100.585 68.7685 65.0614 -209.795 27.7997 -238.429 PRESSAVG: 3864800 -13.2371 -57.7032 48.646 -57.7032 21.8427 3.56835 48.6461 3.56832 27.4086 GPRESSAVG: 3864800 -14.9116 -56.3142 48.9244 -56.9165 23.7662 3.42074 48.8692 1.95265 26.9118 TIMING: 3864800 CPU: 12276.1, 0.00316188/step Wall: 12276.1, 0.00316188/step, 0.997047 hours remaining, 238.742188 MB of memory in use. ENERGY: 3864800 4044.2508 20419.3713 14392.0159 255.2630 -203056.9308 2567.5518 0.0000 0.0000 51959.7343 -109418.7437 298.6133 -161378.4779 -109059.7500 299.3949 -202.3886 -167.7043 761684.6853 12.0047 11.9221 PRESSURE: 3865000 -88.9488 -24.8852 -75.408 -24.8852 -49.3734 23.6301 -75.4078 23.6288 -23.8458 GPRESSURE: 3865000 -2.71452 19.7324 -56.654 -23.0063 -1.31897 -2.03032 40.5663 99.7407 -68.7222 PRESSAVG: 3865000 14.5279 4.71409 64.6814 4.71408 -24.9506 -12.4803 64.6814 -12.4804 3.16851 GPRESSAVG: 3865000 15.3583 4.11587 65.6396 4.7222 -25.417 -10.6901 64.7386 -13.366 2.56074 TIMING: 3865000 CPU: 12276.8, 0.00317077/step Wall: 12276.8, 0.00317077/step, 0.999672 hours remaining, 238.742188 MB of memory in use. ENERGY: 3865000 3993.3091 20535.5749 14406.2785 230.4493 -202979.4679 2343.4261 0.0000 0.0000 52145.0001 -109325.4299 299.6780 -161470.4299 -108979.0803 299.6076 -54.0560 -24.2519 761486.4693 -2.4181 -2.4993 PRESSURE: 3865200 -218.712 -193.373 149.094 -193.372 -439.301 124.609 149.094 124.608 -129.267 GPRESSURE: 3865200 -148.211 -203.259 123.315 -247.07 -444.702 137.193 291.129 126.422 -119.49 PRESSAVG: 3865200 15.3176 -66.9569 28.1543 -66.9569 -27.8252 -3.37355 28.1543 -3.37352 8.78003 GPRESSAVG: 3865200 14.9755 -67.7563 27.8732 -69.1991 -29.0016 -3.18476 27.0872 -2.23396 10.2539 TIMING: 3865200 CPU: 12277.4, 0.00317171/step Wall: 12277.4, 0.00317171/step, 0.999794 hours remaining, 238.742188 MB of memory in use. ENERGY: 3865200 4036.4377 20537.2474 14487.5597 253.1688 -203161.6983 2249.6028 0.0000 0.0000 52110.2553 -109487.4266 299.4784 -161597.6819 -109128.2190 299.9398 -262.4267 -237.4679 761011.4340 -1.2425 -1.2574 PRESSURE: 3865400 -111.54 -425.693 63.0264 -425.693 181.682 -245.254 63.0266 -245.256 289.937 GPRESSURE: 3865400 2.9112 -219.347 102.967 -312.232 109.962 -157.783 72.0786 -263.415 341.963 PRESSAVG: 3865400 25.4923 -76.1347 87.2732 -76.1347 -14.7304 4.73137 87.2732 4.73137 13.1177 GPRESSAVG: 3865400 24.7319 -76.3557 85.8366 -72.4629 -14.3174 4.90088 87.4433 4.48068 13.6503 TIMING: 3865400 CPU: 12278, 0.00319073/step Wall: 12278, 0.00319073/step, 1.00561 hours remaining, 238.742188 MB of memory in use. ENERGY: 3865400 4061.8294 20600.9696 14446.9546 267.6462 -203582.1699 2783.9815 0.0000 0.0000 51981.7864 -109439.0021 298.7400 -161420.7885 -109092.3333 299.4569 120.0267 151.6121 761272.7812 7.9599 8.0216 PRESSURE: 3865600 -44.1436 -14.9927 59.0034 -14.9927 50.7792 -50.0294 59.0028 -50.0299 55.6588 GPRESSURE: 3865600 -48.3159 -61.5492 44.5517 0.627449 58.9546 -103.584 46.3478 -21.0661 132.074 PRESSAVG: 3865600 -9.805 -108.545 40.969 -108.545 -26.5947 -34.164 40.969 -34.1641 8.08009 GPRESSAVG: 3865600 -9.41029 -107.048 40.6712 -109.748 -27.1856 -35.3486 42.2933 -34.9312 8.81256 TIMING: 3865600 CPU: 12278.7, 0.00315982/step Wall: 12278.7, 0.00315982/step, 0.995693 hours remaining, 238.742188 MB of memory in use. ENERGY: 3865600 3992.3215 20489.1313 14394.6518 262.4602 -202886.0974 2434.7798 0.0000 0.0000 51846.1995 -109466.5533 297.9608 -161312.7528 -109106.1050 299.6722 20.7648 47.5710 761060.8709 -9.4399 -9.2611 PRESSURE: 3865800 106.21 59.487 43.2138 59.487 253.703 44.4415 43.2138 44.4413 -245.742 GPRESSURE: 3865800 90.2679 170.701 15.0129 39.5294 310.213 32.7665 70.3255 115.857 -197.14 PRESSAVG: 3865800 -32.1211 9.59559 -26.5098 9.59563 -55.3179 -13.1126 -26.5098 -13.1125 10.0439 GPRESSAVG: 3865800 -33.2353 10.8514 -24.4262 5.26927 -54.5156 -12.4564 -29.8657 -12.3245 10.2348 TIMING: 3865800 CPU: 12279.3, 0.00318342/step Wall: 12279.3, 0.00318342/step, 1.00295 hours remaining, 238.742188 MB of memory in use. ENERGY: 3865800 4032.4886 20687.3988 14373.1581 258.0222 -203582.4533 2636.7938 0.0000 0.0000 52263.0654 -109331.5264 300.3566 -161594.5919 -108971.9662 299.5090 38.0570 67.7805 761089.2302 -25.7984 -25.8387 PRESSURE: 3866000 -250.588 -99.26 57.7191 -99.26 27.5808 -26.9761 57.7188 -26.9766 -126.998 GPRESSURE: 3866000 -186.835 -11.5851 117.207 -117.23 4.57686 -5.53721 162.722 35.1443 -48.7876 PRESSAVG: 3866000 55.0694 2.84176 37.187 2.84179 -20.7488 27.8655 37.187 27.8655 -2.86117 GPRESSAVG: 3866000 56.4427 0.0077179 36.3381 7.3921 -21.1064 27.9643 39.9934 27.5205 -3.52052 TIMING: 3866000 CPU: 12279.9, 0.00316721/step Wall: 12279.9, 0.00316721/step, 0.997671 hours remaining, 238.742188 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: 3866000 4092.1169 20554.5384 14361.0849 267.6056 -203259.5268 2363.7589 0.0000 0.0000 52428.5885 -109191.8335 301.3078 -161620.4220 -108822.6912 300.2799 -116.6684 -77.0151 761353.3907 10.4865 10.6053 PRESSURE: 3866200 -354.578 -28.2733 -146.329 -28.2726 -63.986 -144.317 -146.328 -144.317 -128.372 GPRESSURE: 3866200 -377.062 -1.85463 -216.769 -62.0057 67.8379 -104.888 -187.834 -145.969 -153.374 PRESSAVG: 3866200 20.0502 -23.8919 40.8881 -23.8919 17.0962 19.0652 40.8881 19.0652 4.94847 GPRESSAVG: 3866200 19.7471 -23.199 40.0255 -26.2738 17.9081 19.6541 39.8498 19.1936 5.27981 TIMING: 3866200 CPU: 12280.6, 0.00314538/step Wall: 12280.6, 0.00314538/step, 0.990619 hours remaining, 238.742188 MB of memory in use. ENERGY: 3866200 4045.7884 20399.3800 14439.2383 254.9992 -203363.7821 2621.1514 0.0000 0.0000 52441.3531 -109161.8718 301.3812 -161603.2249 -108789.3520 300.6181 -182.3122 -154.1994 760430.1511 14.0316 14.3117 PRESSURE: 3866400 115.061 0.664619 -107.035 0.664988 288.532 154.008 -107.035 154.008 -227.289 GPRESSURE: 3866400 121.741 -119.295 24.2002 -79.5025 261.675 150.942 -27.7738 136.155 -122.936 PRESSAVG: 3866400 41.4529 -76.8476 15.4546 -76.8476 -54.3968 79.126 15.4545 79.126 -10.8803 GPRESSAVG: 3866400 41.702 -77.0073 16.6759 -76.7643 -53.5345 79.9535 15.8349 79.8041 -11.4177 TIMING: 3866400 CPU: 12281.2, 0.00316879/step Wall: 12281.2, 0.00316879/step, 0.997818 hours remaining, 238.742188 MB of memory in use. ENERGY: 3866400 4047.1216 20600.8636 14474.4261 230.3184 -203193.4734 2453.1518 0.0000 0.0000 52215.2367 -109172.3552 300.0817 -161387.5919 -108818.9515 300.1768 58.7680 86.8269 761286.8726 -7.9414 -7.7501 PRESSURE: 3866600 -382.199 -42.4416 -101.741 -42.4421 -274.722 43.3602 -101.741 43.3606 103.924 GPRESSURE: 3866600 -293.146 -89.9042 -78.6684 -96.2637 -326.018 84.8742 -187.715 -98.8224 160.016 PRESSAVG: 3866600 39.8313 -85.0897 -36.4147 -85.0896 -35.4856 -12.1024 -36.4147 -12.1024 26.9577 GPRESSAVG: 3866600 40.8758 -85.3252 -37.5603 -85.6122 -36.9769 -13.6026 -35.2302 -12.9228 27.1647 TIMING: 3866600 CPU: 12281.8, 0.00318536/step Wall: 12281.8, 0.00318536/step, 1.00286 hours remaining, 238.742188 MB of memory in use. ENERGY: 3866600 4069.2880 20555.7026 14454.0024 255.4445 -203210.2739 2549.2096 0.0000 0.0000 52152.7379 -109173.8889 299.7225 -161326.6268 -108800.4111 300.5753 -184.3322 -153.0495 762433.3471 10.4345 10.3545 PRESSURE: 3866800 34.4953 -135.436 44.0775 -135.436 -256.159 52.7294 44.0771 52.7292 346.917 GPRESSURE: 3866800 7.02221 -60.8049 45.7033 -127.009 -203.146 -6.17525 -49.7113 147.634 417.665 PRESSAVG: 3866800 71.0478 -80.2631 -28.542 -80.2631 -118.654 -48.299 -28.5419 -48.299 5.29577 GPRESSAVG: 3866800 71.1177 -78.3629 -27.5538 -79.5559 -119 -48.1539 -30.2406 -48.0975 5.41715 TIMING: 3866800 CPU: 12282.5, 0.00316802/step Wall: 12282.5, 0.00316802/step, 0.997224 hours remaining, 238.742188 MB of memory in use. ENERGY: 3866800 3997.7497 20707.3181 14415.5163 269.9227 -203223.8778 2491.9735 0.0000 0.0000 52144.9688 -109196.4287 299.6779 -161341.3975 -108834.7142 300.1881 41.7510 73.8472 761014.0546 -14.1034 -14.1549 PRESSURE: 3867000 -49.9042 -180.332 37.6672 -180.333 -201.357 325.243 37.6673 325.244 266.822 GPRESSURE: 3867000 5.6105 -136.528 51.3623 -25.9371 -204.498 205.068 108.243 352.833 293.794 PRESSAVG: 3867000 6.52348 -36.8433 16.8376 -36.8433 13.4708 -6.28631 16.8376 -6.28626 9.59831 GPRESSAVG: 3867000 6.38873 -37.0564 18.2763 -37.0635 14.1141 -6.2596 15.8658 -2.82977 9.63141 TIMING: 3867000 CPU: 12283.1, 0.00314778/step Wall: 12283.1, 0.00314778/step, 0.990677 hours remaining, 238.742188 MB of memory in use. ENERGY: 3867000 4030.2278 20673.2886 14436.2186 232.0517 -203561.4263 2803.3185 0.0000 0.0000 52197.5058 -109188.8152 299.9798 -161386.3210 -108822.4868 300.1344 5.1869 31.6357 760742.8038 9.8642 10.0447 PRESSURE: 3867200 234.096 -88.2816 42.4938 -88.2819 339.987 26.8747 42.4943 26.8742 888.725 GPRESSURE: 3867200 222.486 -23.1532 -39.2666 -186.14 450.155 30.2648 -57.515 -4.00468 880.754 PRESSAVG: 3867200 -33.4611 -78.7252 19.7641 -78.7252 53.1163 -4.01842 19.7641 -4.01844 -25.0331 GPRESSAVG: 3867200 -34.515 -79.8908 18.4557 -77.9956 53.4778 -4.42768 19.9561 -6.21047 -24.904 TIMING: 3867200 CPU: 12283.7, 0.00313591/step Wall: 12283.7, 0.00313591/step, 0.986767 hours remaining, 238.742188 MB of memory in use. ENERGY: 3867200 3918.8351 20647.8091 14436.4215 246.5264 -203355.7006 2853.9641 0.0000 0.0000 52356.8544 -108895.2899 300.8956 -161252.1443 -108524.0176 300.6304 487.6028 517.7984 759232.3311 -1.7926 -1.9804 PRESSURE: 3867400 333.705 -48.8219 107.454 -48.8218 260.524 43.0603 107.453 43.0596 -290.589 GPRESSURE: 3867400 256.917 -137.366 75.749 -62.3045 315.656 43.8475 259.43 100.611 -207.567 PRESSAVG: 3867400 -8.84194 -36.9523 36.7853 -36.9523 31.0349 -10.8007 36.7853 -10.8007 -10.5948 GPRESSAVG: 3867400 -9.44935 -39.281 36.9411 -37.1514 31.8871 -10.7814 38.8702 -9.316 -10.6699 TIMING: 3867400 CPU: 12284.4, 0.00313345/step Wall: 12284.4, 0.00313345/step, 0.985818 hours remaining, 238.742188 MB of memory in use. ENERGY: 3867400 3997.9764 20799.6575 14469.0374 251.7386 -202997.4670 2304.1801 0.0000 0.0000 52087.2336 -109087.6434 299.3460 -161174.8770 -108728.7702 301.0094 101.2131 121.6687 760521.0876 3.8660 3.9226 PRESSURE: 3867600 300.461 -188.011 -136.811 -188.011 -120.264 134.534 -136.811 134.534 -327.073 GPRESSURE: 3867600 340.289 -170.222 -94.4747 -91.6507 -125.06 160.965 -145.827 37.4093 -265.766 PRESSAVG: 3867600 27.1574 -82.5496 33.1329 -82.5496 9.72572 4.12961 33.1329 4.1296 -14.6892 GPRESSAVG: 3867600 28.5807 -80.5227 32.4539 -82.0277 6.84442 2.98639 32.5546 1.21597 -13.3349 TIMING: 3867600 CPU: 12285, 0.00316542/step Wall: 12285, 0.00316542/step, 0.995699 hours remaining, 238.742188 MB of memory in use. ENERGY: 3867600 4034.5114 20654.8530 14444.1507 246.2610 -203716.6180 2725.0896 0.0000 0.0000 52383.6121 -109228.1401 301.0493 -161611.7522 -108863.4702 300.2867 -48.9588 -16.8455 759329.8117 7.3980 7.3634 PRESSURE: 3867800 -106.905 47.1443 57.5071 47.1447 -83.402 158.879 57.5063 158.879 78.799 GPRESSURE: 3867800 -128.134 210.589 67.0122 58.8026 1.26698 162.492 11.2008 71.3417 102.471 PRESSAVG: 3867800 28.8647 -15.2106 27.0196 -15.2106 -22.1325 21.26 27.0196 21.26 4.7461 GPRESSAVG: 3867800 27.8293 -15.2026 26.2435 -15.5347 -20.9941 22.4756 25.8838 22.2667 4.66766 TIMING: 3867800 CPU: 12285.6, 0.00314378/step Wall: 12285.6, 0.00314378/step, 0.988719 hours remaining, 238.742188 MB of memory in use. ENERGY: 3867800 4009.7383 20758.1149 14506.9171 247.6276 -203163.5171 2508.5665 0.0000 0.0000 52091.4177 -109041.1350 299.3701 -161132.5527 -108683.1004 300.5307 -37.1693 -8.1321 760409.1263 3.8261 3.8343 PRESSURE: 3868000 21.4005 -146.942 363.414 -146.942 53.7974 -149.775 363.414 -149.776 -186.588 GPRESSURE: 3868000 24.2785 -116.236 288.675 -93.7456 131.088 -158.987 309.943 -226.25 -170.688 PRESSAVG: 3868000 39.6415 -23.2283 41.5753 -23.2282 -27.1999 -47.9271 41.5753 -47.9272 19.6017 GPRESSAVG: 3868000 39.8713 -22.149 42.7738 -22.46 -27.6394 -47.2967 40.9821 -47.9902 20.4581 TIMING: 3868000 CPU: 12286.2, 0.00313773/step Wall: 12286.2, 0.00313773/step, 0.986643 hours remaining, 238.742188 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: 3868000 3982.3445 20605.9885 14489.3532 252.2942 -203260.1842 2629.8699 0.0000 0.0000 52320.9488 -108979.3851 300.6892 -161300.3339 -108614.6587 300.2656 -37.1302 -5.1073 761130.2418 10.6811 10.8967 PRESSURE: 3868200 -400.331 90.7979 228.363 90.7979 -585.913 -33.5247 228.364 -33.5247 -381.868 GPRESSURE: 3868200 -387.698 124.959 296.021 104.47 -463.194 -92.3294 156.512 93.4017 -390.557 PRESSAVG: 3868200 25.4958 -28.1919 6.88692 -28.192 -44.148 -29.7048 6.88692 -29.7048 8.20118 GPRESSAVG: 3868200 25.5344 -27.4778 7.0866 -28.9791 -42.0513 -29.3147 8.29624 -30.3303 6.61814 TIMING: 3868200 CPU: 12286.9, 0.00315199/step Wall: 12286.9, 0.00315199/step, 0.990952 hours remaining, 238.742188 MB of memory in use. ENERGY: 3868200 4091.5643 20527.1643 14467.1713 256.5184 -202912.2869 2432.9757 0.0000 0.0000 52433.7441 -108703.1489 301.3374 -161136.8930 -108338.4905 301.1304 -456.0372 -413.8164 762436.0188 -3.4837 -3.2996 LDB: ============= START OF LOAD BALANCING ============== 12299.3 LDB: ============== END OF LOAD BALANCING =============== 12299.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12299.3 LDB: ============= START OF LOAD BALANCING ============== 12299.6 LDB: Largest compute 7064 load 0.035663 is 18.3% of average load 0.195389 LDB: Average compute 0.004365 is 2.2% of average load 0.195389 LDB: TIME 12299.6 LOAD: AVG 0.195389 MAX 0.215911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.078 MB LDB: TIME 12299.6 LOAD: AVG 0.195389 MAX 0.215911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: TIME 12299.6 LOAD: AVG 0.195389 MAX 0.215911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.281 MB LDB: ============== END OF LOAD BALANCING =============== 12299.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12299.7 PRESSURE: 3868400 22.2875 -105.09 142.545 -105.091 -102.81 -18.0417 142.544 -18.0415 108.111 GPRESSURE: 3868400 38.736 -105.99 175.12 -12.4148 -79.3787 34.3766 106.527 121.714 132.619 PRESSAVG: 3868400 7.52162 -29.5713 -36.624 -29.5712 -0.457312 36.8429 -36.624 36.8429 -8.69057 GPRESSAVG: 3868400 6.44274 -30.7181 -36.798 -28.906 0.309632 38.4826 -37.0794 36.569 -8.53581 TIMING: 3868400 CPU: 12287.5, 0.00321515/step Wall: 12287.5, 0.00321515/step, 1.01063 hours remaining, 241.832031 MB of memory in use. ENERGY: 3868400 4015.5435 20702.8202 14496.9636 259.8232 -203256.9552 2477.6098 0.0000 0.0000 52409.1571 -108895.0379 301.1961 -161304.1950 -108534.6977 301.0682 9.1960 30.6588 762008.9316 -0.5421 -0.5945 PRESSURE: 3868600 -348.334 245.177 -89.5648 245.177 55.4445 210.103 -89.5651 210.103 -189.531 GPRESSURE: 3868600 -280.011 263.706 -96.9341 262.158 32.8234 185.222 -86.6738 127.467 -151.828 PRESSAVG: 3868600 43.0816 -24.1651 -28.6397 -24.1651 -15.4882 8.04248 -28.6397 8.04248 1.8821 GPRESSAVG: 3868600 43.4706 -23.7706 -28.9697 -25.3293 -16.1571 6.51213 -29.2189 9.45305 1.97702 TIMING: 3868600 CPU: 12288.2, 0.00315193/step Wall: 12288.2, 0.00315193/step, 0.990582 hours remaining, 242.035156 MB of memory in use. ENERGY: 3868600 3978.6345 20677.4645 14460.2009 260.3372 -203031.5060 2407.3153 0.0000 0.0000 52303.6454 -108943.9083 300.5898 -161247.5537 -108574.0565 301.0993 -160.8070 -133.0052 762501.0405 9.8251 9.7635 PRESSURE: 3868800 -81.1197 18.5448 201.701 18.546 -77.8523 127.353 201.701 127.354 -164.735 GPRESSURE: 3868800 -10.0881 75.5843 222.438 59.9599 -80.3015 103.356 241.182 11.732 -145.63 PRESSAVG: 3868800 -0.126084 -58.2327 52.1182 -58.2326 46.2271 7.73425 52.1183 7.73422 -12.4812 GPRESSAVG: 3868800 1.03157 -58.0065 53.0446 -58.3736 45.6399 7.38879 54.095 6.66352 -13.4833 TIMING: 3868800 CPU: 12288.8, 0.00315581/step Wall: 12288.8, 0.00315581/step, 0.991627 hours remaining, 242.035156 MB of memory in use. ENERGY: 3868800 3988.5249 20750.9983 14464.8539 245.8121 -203413.0703 2540.9851 0.0000 0.0000 52427.8184 -108994.0776 301.3034 -161421.8960 -108635.2201 300.9800 -107.9023 -78.6732 761157.9067 11.2066 11.0627 PRESSURE: 3869000 -93.9783 78.012 -47.1357 78.0114 -322.689 -130.813 -47.1362 -130.812 -407.223 GPRESSURE: 3869000 -119.206 87.8404 -71.1633 75.5427 -240.239 -218.885 -182.957 -20.8062 -347.078 PRESSAVG: 3869000 -9.20259 -6.67277 -15.8864 -6.67284 -3.39082 23.8609 -15.8864 23.8609 -7.06968 GPRESSAVG: 3869000 -10.2629 -7.72961 -16.7912 -5.91418 -3.26553 22.6946 -15.2849 25.0447 -5.99764 TIMING: 3869000 CPU: 12289.4, 0.00315223/step Wall: 12289.4, 0.00315223/step, 0.990325 hours remaining, 242.035156 MB of memory in use. ENERGY: 3869000 3911.3648 20585.2374 14561.5060 250.0685 -203060.1999 2396.0665 0.0000 0.0000 52311.5355 -109044.4211 300.6351 -161355.9566 -108666.0197 301.0664 -274.6299 -235.5079 762510.8666 -6.5544 -6.5087 PRESSURE: 3869200 163.105 74.8255 127.781 74.8257 -33.4998 -202.777 127.782 -202.778 -117.096 GPRESSURE: 3869200 173.911 38.0403 95.3908 -3.68764 -29.3509 -110.838 94.25 -50.1143 -56.17 PRESSAVG: 3869200 47.1077 -74.5839 -23.9214 -74.5841 -3.94623 28.1095 -23.9215 28.1095 3.07965 GPRESSAVG: 3869200 46.8242 -73.6919 -22.2528 -75.4158 -3.74937 29.118 -26.1978 26.7366 3.20474 TIMING: 3869200 CPU: 12290, 0.00316182/step Wall: 12290, 0.00316182/step, 0.993163 hours remaining, 242.035156 MB of memory in use. ENERGY: 3869200 4001.3055 20534.2633 14448.4914 243.1301 -203504.8671 2719.9965 0.0000 0.0000 52577.2553 -108980.4250 302.1622 -161557.6803 -108614.5599 301.2593 4.1697 29.4634 759300.9604 15.4137 15.4265 PRESSURE: 3869400 -175.029 -56.1569 -64.7493 -56.1573 -369.952 81.2723 -64.75 81.2733 -206.941 GPRESSURE: 3869400 -129.411 -56.9605 -136.11 -137.025 -309.95 140.573 -64.0924 -2.72484 -228.044 PRESSAVG: 3869400 26.5328 -58.2175 5.7499 -58.2175 -13.6167 -20.0088 5.74995 -20.0089 -34.5138 GPRESSAVG: 3869400 27.1022 -59.9403 5.29529 -58.9773 -14.7935 -21.8417 7.49465 -18.9261 -34.4764 TIMING: 3869400 CPU: 12290.7, 0.00316557/step Wall: 12290.7, 0.00316557/step, 0.994164 hours remaining, 242.035156 MB of memory in use. ENERGY: 3869400 4007.4179 20687.4973 14480.8725 235.8180 -202353.8484 1651.7051 0.0000 0.0000 52275.9535 -109014.5840 300.4306 -161290.5375 -108632.6552 300.9718 -250.6409 -222.4684 759692.3058 -7.1992 -7.3892 PRESSURE: 3869600 7.07481 -137.255 47.5306 -137.256 452.975 -93.2359 47.5305 -93.2359 -399.251 GPRESSURE: 3869600 -19.2391 -165.05 38.4084 -6.69981 555.488 -50.7611 -76.3676 -11.4013 -401.847 PRESSAVG: 3869600 -34.1591 -25.6944 -5.09651 -25.6945 6.17256 -42.8356 -5.09648 -42.8356 11.6729 GPRESSAVG: 3869600 -35.5861 -24.5285 -4.66213 -24.9283 8.49876 -40.5064 -5.24538 -44.1373 10.2656 TIMING: 3869600 CPU: 12291.3, 0.00315723/step Wall: 12291.3, 0.00315723/step, 0.99137 hours remaining, 242.035156 MB of memory in use. ENERGY: 3869600 4038.9967 20768.4084 14431.7976 240.9348 -203594.2856 2624.6932 0.0000 0.0000 52339.2364 -109150.2185 300.7943 -161489.4549 -108788.7211 300.5233 20.2665 44.8007 760141.3583 -5.4379 -5.6072 PRESSURE: 3869800 334.769 28.3404 189.079 28.3392 330.722 -53.5279 189.079 -53.5282 -160.237 GPRESSURE: 3869800 421.495 80.8723 211.279 0.905278 323.86 -138.22 230.183 -125.467 -142.802 PRESSAVG: 3869800 -30.2608 -68.0344 -38.7509 -68.0345 29.3888 -0.652289 -38.7509 -0.652317 -13.8184 GPRESSAVG: 3869800 -30.0379 -68.8785 -39.861 -68.0224 28.0191 -0.897882 -37.8884 -0.477249 -13.1843 TIMING: 3869800 CPU: 12291.9, 0.00316105/step Wall: 12291.9, 0.00316105/step, 0.992393 hours remaining, 242.035156 MB of memory in use. ENERGY: 3869800 4009.2467 20540.7492 14445.9461 251.8344 -203535.9821 2797.8083 0.0000 0.0000 52097.3682 -109393.0292 299.4043 -161490.3974 -109043.2878 300.4091 168.4180 200.8511 759090.2668 -4.8968 -5.0677 PRESSURE: 3870000 -188.97 -36.1545 -23.6767 -36.1547 -41.1627 57.029 -23.6761 57.0299 269.415 GPRESSURE: 3870000 -76.4208 49.995 -96.6292 -50.9129 -79.9241 41.6464 19.2905 61.0468 301.41 PRESSAVG: 3870000 -20.4202 -27.0828 17.245 -27.0827 -2.55492 -42.1192 17.245 -42.1193 -19.0172 GPRESSAVG: 3870000 -18.7747 -24.2789 16.889 -27.9687 -3.96818 -43.3444 16.1926 -42.3257 -19.0571 TIMING: 3870000 CPU: 12292.6, 0.00319134/step Wall: 12292.6, 0.00319134/step, 1.00173 hours remaining, 242.035156 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: 3870000 4003.2418 20680.2869 14516.6769 245.0761 -203713.4105 2678.0054 0.0000 0.0000 51962.2590 -109627.8645 298.6278 -161590.1235 -109270.2739 299.5186 13.0940 48.3551 759741.4717 -13.9974 -13.9333 PRESSURE: 3870200 197.12 -148.513 -52.3592 -148.514 64.4749 -74.3546 -52.3592 -74.3554 478.073 GPRESSURE: 3870200 201.367 -216.659 -54.1607 -1.12331 55.5733 -70.0983 67.9664 -147.622 579.832 PRESSAVG: 3870200 39.1579 15.1812 57.6334 15.1812 -17.4589 -21.3403 57.6334 -21.3403 -4.04223 GPRESSAVG: 3870200 36.4315 12.9292 58.5614 16.719 -14.7072 -22.4596 57.9685 -19.2132 -3.84357 TIMING: 3870200 CPU: 12293.2, 0.00320266/step Wall: 12293.2, 0.00320266/step, 1.0051 hours remaining, 242.035156 MB of memory in use. ENERGY: 3870200 3954.8997 20624.1978 14516.7683 258.5157 -203455.1639 2422.6935 0.0000 0.0000 51963.1984 -109714.8904 298.6332 -161678.0888 -109366.7170 299.9542 246.5560 278.9243 758678.1980 5.8856 5.9602 PRESSURE: 3870400 142.887 -25.5715 306.643 -25.5718 -81.0301 -227.881 306.644 -227.881 51.5946 GPRESSURE: 3870400 226.922 -55.4316 252.236 -6.49022 -85.5023 -234.345 336.418 -129.302 55.5392 PRESSAVG: 3870400 57.4051 30.1436 61.9041 30.1436 -47.5941 -44.3061 61.9041 -44.3061 38.2067 GPRESSAVG: 3870400 58.3406 31.0284 62.41 29.7384 -48.1348 -42.5583 62.2642 -45.4993 38.215 TIMING: 3870400 CPU: 12293.9, 0.00315331/step Wall: 12293.9, 0.00315331/step, 0.989439 hours remaining, 242.035156 MB of memory in use. ENERGY: 3870400 4001.4510 20568.2014 14479.9572 238.3357 -203737.8608 2619.2107 0.0000 0.0000 52246.4472 -109584.2576 300.2611 -161830.7048 -109226.8845 299.7410 37.8173 65.6529 759025.8692 16.0059 16.1403 PRESSURE: 3870600 176.827 179.247 24.87 179.248 -300.416 -115.221 24.8707 -115.222 -212.241 GPRESSURE: 3870600 117.382 181.36 94.0636 57.9583 -130.572 -130.549 -130.565 -40.0894 -223.974 PRESSAVG: 3870600 67.0419 -2.53681 -26.0423 -2.53679 -46.1036 -6.34027 -26.0423 -6.34035 -4.33709 GPRESSAVG: 3870600 68.0512 -2.5835 -25.267 -3.95187 -46.6777 -7.37314 -31.225 -6.23768 -4.11689 TIMING: 3870600 CPU: 12294.5, 0.00317606/step Wall: 12294.5, 0.00317606/step, 0.9964 hours remaining, 242.035156 MB of memory in use. ENERGY: 3870600 4041.8813 20501.7294 14378.4424 241.9017 -203511.3933 2681.2175 0.0000 0.0000 51963.2643 -109702.9566 298.6336 -161666.2209 -109341.5797 299.7250 -111.9434 -79.0546 760727.1038 5.5337 5.7522 PRESSURE: 3870800 -82.8775 42.4198 56.176 42.4193 77.2058 181.046 56.1757 181.045 -57.5498 GPRESSURE: 3870800 -108.451 3.47227 3.13985 -62.7147 150.956 88.1506 175.908 74.8633 -18.2177 PRESSAVG: 3870800 20.149 10.3384 9.38951 10.3384 -12.1545 -23.1456 9.38957 -23.1456 -12.274 GPRESSAVG: 3870800 19.7104 8.7247 8.64114 13.4388 -11.2272 -23.533 11.783 -23.9558 -12.874 TIMING: 3870800 CPU: 12295.1, 0.00319103/step Wall: 12295.1, 0.00319103/step, 1.00092 hours remaining, 242.035156 MB of memory in use. ENERGY: 3870800 3996.4216 20646.3862 14512.7292 248.2357 -203822.7048 2570.5699 0.0000 0.0000 52165.2673 -109683.0950 299.7945 -161848.3623 -109318.4851 298.9630 -21.0738 8.0958 759283.0540 -1.4265 -1.4636 PRESSURE: 3871000 288.609 -20.511 -155.826 -20.5114 -180.338 9.15363 -155.826 9.15255 -171.841 GPRESSURE: 3871000 368.21 -117.494 -134.185 -8.35394 -191.595 31.3271 77.0328 -5.33837 -179.692 PRESSAVG: 3871000 -40.4293 -28.5649 11.8309 -28.5649 16.0345 -21.0353 11.8309 -21.0353 4.41806 GPRESSAVG: 3871000 -39.1817 -29.1241 10.5815 -29.8692 14.6152 -20.7963 14.1285 -20.2361 4.2708 TIMING: 3871000 CPU: 12295.8, 0.00319371/step Wall: 12295.8, 0.00319371/step, 1.00158 hours remaining, 242.035156 MB of memory in use. ENERGY: 3871000 4053.5826 20672.7072 14475.2325 250.6240 -203231.7935 2263.6853 0.0000 0.0000 52057.9432 -109458.0187 299.1777 -161515.9619 -109107.6636 299.6845 -21.1899 -1.0256 760826.4154 -6.6589 -6.7652 PRESSURE: 3871200 -113.68 -148.193 -101.256 -148.193 -181.449 61.4155 -101.257 61.415 106.899 GPRESSURE: 3871200 -70.6468 -85.9955 -172.485 -157.498 -108.878 -43.1348 -81.9125 118.409 84.212 PRESSAVG: 3871200 39.9084 20.2714 -22.7544 20.2714 -35.1827 58.9959 -22.7544 58.9959 -2.98041 GPRESSAVG: 3871200 38.2909 22.1487 -20.8073 21.588 -34.1128 57.7879 -24.2875 60.402 -2.68892 TIMING: 3871200 CPU: 12296.4, 0.003181/step Wall: 12296.4, 0.003181/step, 0.99742 hours remaining, 242.035156 MB of memory in use. ENERGY: 3871200 4034.2166 20477.3933 14403.4640 250.1150 -203301.0819 2413.7040 0.0000 0.0000 52081.9166 -109640.2724 299.3155 -161722.1890 -109271.2482 299.4709 -62.7433 -31.7709 759099.6699 0.5818 0.4964 PRESSURE: 3871400 -416.968 81.5741 178.77 81.5744 -21.0929 39.6087 178.771 39.609 124.787 GPRESSURE: 3871400 -358.586 -54.3004 144.618 57.8252 94.5148 27.7567 203.335 -109.357 53.7924 PRESSAVG: 3871400 -24.8128 -4.81448 -64.7814 -4.81452 38.0541 27.237 -64.7814 27.237 9.28181 GPRESSAVG: 3871400 -25.7023 -7.31607 -66.8051 -5.77876 39.0784 27.9477 -61.6557 25.6817 9.39146 TIMING: 3871400 CPU: 12297, 0.00316521/step Wall: 12297, 0.00316521/step, 0.992293 hours remaining, 242.035156 MB of memory in use. ENERGY: 3871400 4025.0684 20374.8505 14353.7009 273.0971 -203158.2379 2500.8727 0.0000 0.0000 52036.5054 -109594.1430 299.0545 -161630.6483 -109233.6769 299.9615 -104.4248 -70.0930 760480.2528 7.5077 7.5892 PRESSURE: 3871600 -115.507 32.7574 -205.237 32.7579 132.948 -64.793 -205.235 -64.793 50.2596 GPRESSURE: 3871600 -54.1061 39.3829 -232.075 -80.8879 135.969 -96.2602 -91.1577 -24.0825 63.4646 PRESSAVG: 3871600 -38.3248 -26.8352 -34.8459 -26.8351 33.101 -14.6846 -34.8458 -14.6846 3.55934 GPRESSAVG: 3871600 -36.9835 -22.9839 -32.2603 -27.7185 32.4024 -13.8908 -36.2884 -14.7385 2.87863 TIMING: 3871600 CPU: 12297.7, 0.00318066/step Wall: 12297.7, 0.00318066/step, 0.996961 hours remaining, 242.035156 MB of memory in use. ENERGY: 3871600 3956.5372 20375.4233 14370.5446 255.4743 -202880.6677 2370.4272 0.0000 0.0000 52179.3620 -109372.8991 299.8755 -161552.2610 -109010.9037 299.5543 22.5669 48.4425 759700.1898 -0.5548 -0.5675 PRESSURE: 3871800 92.8039 -244.531 -372.464 -244.531 -67.2892 -17.9057 -372.465 -17.9059 100.391 GPRESSURE: 3871800 35.9377 -238.656 -288.518 -221.999 -3.77906 -69.083 -268.999 73.0188 163.454 PRESSAVG: 3871800 1.76273 -11.0692 -17.6222 -11.0691 3.8283 -35.8093 -17.6222 -35.8093 4.03124 GPRESSAVG: 3871800 1.41833 -13.0226 -17.8744 -10.105 4.02849 -35.6353 -18.9916 -37.2053 4.7631 TIMING: 3871800 CPU: 12298.3, 0.00316105/step Wall: 12298.3, 0.00316105/step, 0.990639 hours remaining, 242.035156 MB of memory in use. ENERGY: 3871800 3926.0718 20497.3855 14329.5188 237.2863 -203190.2442 2380.4995 0.0000 0.0000 52231.2401 -109588.2422 300.1737 -161819.4823 -109226.7856 299.5424 41.9687 65.2040 760402.9939 3.2074 3.4033 PRESSURE: 3872000 131.682 -171.647 -100.16 -171.647 220.076 55.3091 -100.16 55.3088 -5.69792 GPRESSURE: 3872000 271.899 -278.09 -39.3877 -137.626 150.246 118.631 -80.1427 28.487 -5.03852 PRESSAVG: 3872000 0.190859 67.0552 -10.0722 67.0551 10.437 -16.7317 -10.0723 -16.7317 13.1832 GPRESSAVG: 3872000 0.328784 66.9799 -11.4119 68.3059 10.2591 -17.5261 -9.79018 -16.3336 12.9478 TIMING: 3872000 CPU: 12298.9, 0.00320891/step Wall: 12298.9, 0.00320891/step, 1.00546 hours remaining, 242.035156 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: 3872000 4047.2744 20384.2912 14379.2756 253.0945 -203707.6087 2896.1236 0.0000 0.0000 52114.9166 -109632.6330 299.5051 -161747.5496 -109261.9678 299.1075 115.3534 139.0354 759557.4104 7.9370 7.8452 PRESSURE: 3872200 -139.073 196.545 -26.3292 196.545 -159.605 -89.6391 -26.3294 -89.6389 -84.4091 GPRESSURE: 3872200 -125.395 113.019 -28.6803 242.197 -77.358 -117.721 21.8812 -176.671 -90.4236 PRESSAVG: 3872200 82.2031 -5.80553 -18.6931 -5.80557 -16.5143 1.33267 -18.6932 1.3327 7.88468 GPRESSAVG: 3872200 82.1921 -4.67348 -20.1637 -7.30499 -15.449 1.83574 -15.8121 2.87089 7.09271 TIMING: 3872200 CPU: 12299.6, 0.003183/step Wall: 12299.6, 0.003183/step, 0.997164 hours remaining, 242.035156 MB of memory in use. ENERGY: 3872200 4099.3958 20686.6735 14432.4408 231.9666 -203145.7520 2254.3071 0.0000 0.0000 51973.9871 -109466.9811 298.6952 -161440.9682 -109114.3357 299.8603 -127.6957 -97.7256 759698.7419 24.5245 24.6120 LDB: ============= START OF LOAD BALANCING ============== 12312 LDB: ============== END OF LOAD BALANCING =============== 12312 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12312 LDB: ============= START OF LOAD BALANCING ============== 12312.4 LDB: Largest compute 7073 load 0.033894 is 17.4% of average load 0.195350 LDB: Average compute 0.004390 is 2.2% of average load 0.195350 LDB: TIME 12312.4 LOAD: AVG 0.19535 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 12312.4 LOAD: AVG 0.19535 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: TIME 12312.4 LOAD: AVG 0.19535 MAX 0.216866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: ============== END OF LOAD BALANCING =============== 12312.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12312.4 PRESSURE: 3872400 125.782 48.0461 357.774 48.0455 -445.559 -109.043 357.774 -109.042 19.5189 GPRESSURE: 3872400 135.251 122.002 222.689 105.059 -438.614 -95.3214 240.001 -145.337 85.4192 PRESSAVG: 3872400 46.3051 2.06989 -7.57738 2.06988 -71.1278 -15.9145 -7.57742 -15.9145 -18.7494 GPRESSAVG: 3872400 45.8624 0.711587 -6.77386 2.15478 -72.196 -15.3531 -8.52819 -17.0526 -16.716 TIMING: 3872400 CPU: 12300.2, 0.0032396/step Wall: 12300.2, 0.0032396/step, 1.01471 hours remaining, 242.351562 MB of memory in use. ENERGY: 3872400 4058.6280 20573.2369 14401.9128 220.4455 -203466.3902 2473.7833 0.0000 0.0000 52238.5203 -109499.8635 300.2155 -161738.3837 -109127.6776 299.9827 -100.0860 -72.6480 758270.4403 -14.5240 -14.3499 PRESSURE: 3872600 136.708 -108.422 72.7609 -108.423 286.916 -20.7697 72.7607 -20.7707 166.587 GPRESSURE: 3872600 159.261 -106.729 124.499 -67.4887 321.932 -72.6622 11.8204 -49.167 202.683 PRESSAVG: 3872600 -9.065 -13.7072 33.3881 -13.7072 59.3321 8.01813 33.388 8.01821 5.84285 GPRESSAVG: 3872600 -8.66324 -11.2751 33.7575 -12.0229 59.4166 7.10368 31.2152 8.75238 4.84851 TIMING: 3872600 CPU: 12300.9, 0.00318538/step Wall: 12300.9, 0.00318538/step, 0.997554 hours remaining, 242.417969 MB of memory in use. ENERGY: 3872600 3960.2337 20601.2423 14388.7506 256.2478 -203555.8735 2681.3992 0.0000 0.0000 52102.8488 -109565.1511 299.4358 -161667.9999 -109196.0658 300.0235 196.7368 227.9587 760449.5779 18.7033 18.5339 PRESSURE: 3872800 -50.9395 48.4984 156.337 48.4997 8.91182 -7.95689 156.338 -7.95747 125.682 GPRESSURE: 3872800 -0.491422 -43.8349 113.251 166.897 43.1084 -18.6467 185.874 113.628 138.516 PRESSAVG: 3872800 -30.7253 -59.3657 36.382 -59.3657 28.5903 -27.3154 36.3821 -27.3154 -1.1338 GPRESSAVG: 3872800 -30.073 -61.7686 35.2639 -60.2314 27.2396 -26.3282 38.7809 -30.1467 -0.683241 TIMING: 3872800 CPU: 12301.5, 0.00314948/step Wall: 12301.5, 0.00314948/step, 0.986136 hours remaining, 242.417969 MB of memory in use. ENERGY: 3872800 3998.5591 20568.7456 14452.4941 259.9561 -203562.5382 2608.3903 0.0000 0.0000 52194.0468 -109480.3462 299.9599 -161674.3930 -109116.3594 299.8581 27.8848 60.3776 760773.7546 -1.0896 -1.1722 PRESSURE: 3873000 -114.739 -44.2695 12.3621 -44.2707 1.26594 316.417 12.3625 316.417 -324.603 GPRESSURE: 3873000 -110.039 -86.0803 16.9251 -8.39446 62.1368 301.723 159.961 275.671 -307.353 PRESSAVG: 3873000 15.5488 -23.3871 59.402 -23.3871 3.69539 -2.89948 59.402 -2.89945 10.8921 GPRESSAVG: 3873000 14.7329 -23.1231 60.7334 -25.8731 4.96948 -2.2459 57.9093 -1.46865 10.6113 TIMING: 3873000 CPU: 12302.1, 0.00314912/step Wall: 12302.1, 0.00314912/step, 0.98585 hours remaining, 242.417969 MB of memory in use. ENERGY: 3873000 4023.4793 20618.9107 14487.8953 239.0190 -203696.4704 2600.2523 0.0000 0.0000 51992.1488 -109734.7650 298.7996 -161726.9138 -109369.0359 299.6159 -146.0252 -118.4183 760002.4637 10.0454 10.1046 PRESSURE: 3873200 -275.795 36.6074 124.399 36.6069 -271.92 46.693 124.398 46.6928 -40.6125 GPRESSURE: 3873200 -402.277 121.337 119.599 79.0689 -156.426 91.902 33.3467 85.2888 41.8673 PRESSAVG: 3873200 -30.4389 2.80016 39.1205 2.80018 27.9616 -6.11536 39.1205 -6.1154 27.5133 GPRESSAVG: 3873200 -30.2783 3.3939 38.0675 5.61759 27.5051 -7.40974 39.006 -4.93338 27.6946 TIMING: 3873200 CPU: 12302.8, 0.00315677/step Wall: 12302.8, 0.00315677/step, 0.988069 hours remaining, 242.417969 MB of memory in use. ENERGY: 3873200 4007.2829 20672.8861 14351.7149 241.0546 -203414.0120 2220.5483 0.0000 0.0000 52164.8027 -109755.7225 299.7918 -161920.5252 -109394.4871 299.0912 -196.1092 -172.2785 761426.3066 8.3453 8.3071 PRESSURE: 3873400 -101.083 -358.239 51.293 -358.239 -138.82 160.929 51.2928 160.928 365.351 GPRESSURE: 3873400 -33.1863 -359.836 63.1555 -317.231 -155.875 106.186 91.7385 106.509 402.78 PRESSAVG: 3873400 -45.845 -34.5853 -6.41696 -34.5852 52.9178 -8.55453 -6.41699 -8.55457 -5.88472 GPRESSAVG: 3873400 -45.6979 -36.1981 -5.30584 -34.4161 52.4649 -9.54938 -5.83537 -9.10444 -5.49132 TIMING: 3873400 CPU: 12303.4, 0.00317283/step Wall: 12303.4, 0.00317283/step, 0.992921 hours remaining, 242.417969 MB of memory in use. ENERGY: 3873400 3938.4209 20573.8862 14451.9700 244.2814 -203686.8024 2730.7508 0.0000 0.0000 51913.2899 -109834.2031 298.3464 -161747.4931 -109484.3116 299.4821 41.8162 71.2396 759150.3343 0.3960 0.4252 PRESSURE: 3873600 -117.75 71.8151 32.7155 71.8158 347.97 -265.524 32.7162 -265.523 29.0616 GPRESSURE: 3873600 -140.5 73.6645 -52.9059 89.5836 329.265 -238.545 67.8783 -252.815 144.082 PRESSAVG: 3873600 -56.6245 -85.0445 25.9951 -85.0446 64.9514 -53.1 25.9951 -53.1 -13.7377 GPRESSAVG: 3873600 -55.8774 -83.6711 25.9491 -85.0087 64.215 -51.7302 26.5705 -55.8456 -14.0921 TIMING: 3873600 CPU: 12304, 0.00318011/step Wall: 12304, 0.00318011/step, 0.995021 hours remaining, 242.417969 MB of memory in use. ENERGY: 3873600 3966.8240 20323.8518 14493.1625 244.1198 -203617.2504 2636.2149 0.0000 0.0000 52309.1974 -109643.8799 300.6217 -161953.0773 -109281.7994 299.3758 86.4273 110.9488 761444.8045 -1.8036 -1.9182 PRESSURE: 3873800 173.429 67.2854 -212.903 67.2859 121.337 202.889 -212.903 202.888 307.389 GPRESSURE: 3873800 206.245 37.7245 -225.278 23.8287 225.787 246.09 -250.973 277.502 259.081 PRESSAVG: 3873800 -6.12289 -19.0327 22.218 -19.0327 9.95036 14.004 22.2179 14.004 -4.56457 GPRESSAVG: 3873800 -7.15473 -17.9863 20.8793 -20.8487 11.7779 11.905 20.383 18.3507 -5.24539 TIMING: 3873800 CPU: 12304.7, 0.00319106/step Wall: 12304.7, 0.00319106/step, 0.998271 hours remaining, 242.417969 MB of memory in use. ENERGY: 3873800 3955.7347 20536.7634 14507.7422 258.4228 -203883.6171 2907.5454 0.0000 0.0000 52123.9853 -109593.4232 299.5573 -161717.4085 -109227.2954 299.0152 200.7185 230.3708 760578.6322 -0.2457 -0.2074 PRESSURE: 3874000 190.197 -189.798 193.533 -189.797 331.805 -95.1962 193.533 -95.1978 -186.657 GPRESSURE: 3874000 205.207 -140.256 151.456 -126.953 357.78 -19.9125 192.608 -40.2707 -131.945 PRESSAVG: 3874000 -90.5615 -26.2422 -38.8961 -26.2422 86.013 -6.92147 -38.8962 -6.9215 -14.5781 GPRESSAVG: 3874000 -91.3875 -28.1873 -37.6229 -24.8461 86.3707 -4.91743 -38.5635 -10.0408 -14.1769 TIMING: 3874000 CPU: 12305.3, 0.00317732/step Wall: 12305.3, 0.00317732/step, 0.993794 hours remaining, 242.417969 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: 3874000 3868.8717 20682.5588 14465.1142 254.9536 -203620.2545 2780.0515 0.0000 0.0000 52001.9902 -109566.7145 298.8562 -161568.7047 -109196.1169 298.9392 111.7816 143.6805 762558.1310 -6.3755 -6.3979 PRESSURE: 3874200 -179.524 -153.02 -200.966 -153.02 30.4299 -1.01771 -200.966 -1.01704 -414.455 GPRESSURE: 3874200 -74.0545 -121.899 -195.66 -123.665 -21.3162 -24.2047 -42.1286 -109.194 -371.048 PRESSAVG: 3874200 15.5373 -18.3469 -14.3397 -18.3469 -32.3813 -5.19456 -14.3398 -5.19459 -4.21966 GPRESSAVG: 3874200 16.0768 -17.1226 -14.8157 -18.8399 -33.1689 -6.58067 -10.4195 -4.95215 -4.04677 TIMING: 3874200 CPU: 12305.9, 0.00318466/step Wall: 12305.9, 0.00318466/step, 0.995914 hours remaining, 242.417969 MB of memory in use. ENERGY: 3874200 3978.5808 20510.1604 14413.9957 262.4257 -203351.5542 2495.0780 0.0000 0.0000 52279.9913 -109411.3223 300.4538 -161691.3137 -109031.3849 299.2209 -187.8494 -155.4730 762303.5718 -7.0212 -7.0463 PRESSURE: 3874400 -35.5371 3.75978 28.9906 3.76084 48.63 39.3257 28.99 39.3248 342.602 GPRESSURE: 3874400 43.6064 -59.3824 1.66423 52.1573 -54.9458 -23.5229 29.7716 4.91835 457.94 PRESSAVG: 3874400 -45.042 -38.3282 30.1516 -38.3282 25.1162 14.5093 30.1517 14.5093 -3.01065 GPRESSAVG: 3874400 -44.9236 -37.9992 29.1156 -38.9169 24.7399 14.4378 28.8986 14.0981 -2.57975 TIMING: 3874400 CPU: 12306.6, 0.0031659/step Wall: 12306.6, 0.0031659/step, 0.989871 hours remaining, 242.417969 MB of memory in use. ENERGY: 3874400 3920.7403 20290.4960 14414.2972 225.0139 -203663.5747 2876.1163 0.0000 0.0000 52118.8124 -109818.0989 299.5275 -161936.9112 -109452.2814 299.0295 118.5649 148.8670 761291.1342 -7.6455 -7.5878 PRESSURE: 3874600 -101.094 56.0606 -290.935 56.06 -337.886 -35.4929 -290.936 -35.4934 -274.414 GPRESSURE: 3874600 -97.5288 156.937 -248.496 -175.519 -254.971 11.3304 -200.613 -74.9785 -262.354 PRESSAVG: 3874600 -24.3384 -69.554 16.2706 -69.5541 -25.3001 5.06192 16.2706 5.06192 2.0415 GPRESSAVG: 3874600 -23.6525 -73.8488 16.9288 -69.3589 -25.6854 4.66366 14.4197 6.30034 2.2643 TIMING: 3874600 CPU: 12307.2, 0.00314459/step Wall: 12307.2, 0.00314459/step, 0.983033 hours remaining, 242.417969 MB of memory in use. ENERGY: 3874600 3961.3760 20541.8226 14416.8836 260.3832 -202941.6111 2233.1067 0.0000 0.0000 52048.4878 -109479.5512 299.1234 -161528.0390 -109128.1411 299.2900 -237.7979 -204.9511 761115.3559 -15.8657 -15.6912 PRESSURE: 3874800 -215.131 42.5671 -64.5295 42.5673 57.8927 100.695 -64.5297 100.694 257.824 GPRESSURE: 3874800 -213.379 42.3638 -46.5941 98.8394 103.644 183.307 79.6748 4.5137 287.101 PRESSAVG: 3874800 -81.186 -41.2277 30.6065 -41.2278 28.6462 13.5526 30.6065 13.5527 25.594 GPRESSAVG: 3874800 -81.4193 -38.8556 32.0551 -40.8934 28.3668 14.8607 31.0299 11.97 25.5641 TIMING: 3874800 CPU: 12307.8, 0.00315418/step Wall: 12307.8, 0.00315418/step, 0.985858 hours remaining, 242.417969 MB of memory in use. ENERGY: 3874800 3953.8775 20757.9658 14348.6394 232.8901 -203148.2136 2512.1719 0.0000 0.0000 51905.1803 -109437.4887 298.2998 -161342.6690 -109077.0500 299.4842 33.5287 59.1220 761615.4818 -8.9819 -9.1628 PRESSURE: 3875000 61.0207 10.293 -19.4932 10.2936 241.542 18.6553 -19.4929 18.6552 -52.1077 GPRESSURE: 3875000 40.4859 108.122 28.167 -50.8961 252.592 38.8296 27.0622 22.009 28.4764 PRESSAVG: 3875000 -63.3642 -30.7742 -39.1875 -30.7742 42.699 0.443782 -39.1875 0.443734 -22.323 GPRESSAVG: 3875000 -61.8667 -31.5463 -39.3795 -30.264 41.9027 0.0324569 -36.927 2.52914 -22.5303 TIMING: 3875000 CPU: 12308.5, 0.00315784/step Wall: 12308.5, 0.00315784/step, 0.986824 hours remaining, 242.417969 MB of memory in use. ENERGY: 3875000 3990.2711 20549.0883 14393.6485 247.0705 -203282.0738 2535.3106 0.0000 0.0000 52237.6209 -109329.0640 300.2103 -161566.6848 -108962.8585 299.6050 83.4850 107.1847 760264.2251 -14.3294 -14.1648 PRESSURE: 3875200 -388.842 25.9259 79.4849 25.9266 -260.808 -353.128 79.4853 -353.128 141.317 GPRESSURE: 3875200 -306.157 -111.05 12.0424 61.59 -162.6 -242.414 7.78792 -363.613 42.0718 PRESSAVG: 3875200 -28.1753 5.69626 -7.05356 5.69622 46.1662 -15.2083 -7.05355 -15.2083 5.06162 GPRESSAVG: 3875200 -30.5001 6.63065 -6.25573 4.9607 47.8399 -15.0616 -9.26837 -16.3185 5.52495 TIMING: 3875200 CPU: 12309.1, 0.00313942/step Wall: 12309.1, 0.00313942/step, 0.980895 hours remaining, 242.417969 MB of memory in use. ENERGY: 3875200 4048.9117 20564.0745 14413.4582 242.0251 -203050.4581 2268.8544 0.0000 0.0000 52342.2311 -109170.9031 300.8115 -161513.1342 -108802.5605 299.9690 -169.4442 -142.2282 760947.0908 7.6842 7.6216 PRESSURE: 3875400 471.251 -65.4782 119.239 -65.4784 72.8475 119.504 119.238 119.504 -110.541 GPRESSURE: 3875400 494.669 -142.535 158.183 62.8634 114.266 34.9376 -1.1383 87.0309 -71.7737 PRESSAVG: 3875400 22.3334 -32.9885 -7.54409 -32.9886 -50.3278 11.4321 -7.54415 11.4322 -17.1183 GPRESSAVG: 3875400 24.404 -33.7522 -10.7837 -32.0694 -52.3596 9.71318 -5.48609 11.6222 -17.5862 TIMING: 3875400 CPU: 12309.7, 0.00314262/step Wall: 12309.7, 0.00314262/step, 0.981718 hours remaining, 242.417969 MB of memory in use. ENERGY: 3875400 4001.4235 20620.9186 14526.9804 240.8773 -203370.3508 2747.7502 0.0000 0.0000 52269.6033 -108962.7975 300.3941 -161232.4008 -108603.4303 299.9157 144.5192 179.0535 760838.6421 -15.0376 -15.1806 PRESSURE: 3875600 -119.811 67.5014 -176.943 67.5008 -121.434 151.936 -176.943 151.935 198.506 GPRESSURE: 3875600 -138.41 36.1206 -125.911 53.0905 -56.4586 231.072 -171.644 140.086 241.403 PRESSAVG: 3875600 -13.1298 34.7925 -25.7388 34.7925 -31.6737 50.1377 -25.7388 50.1377 17.7973 GPRESSAVG: 3875600 -15.1072 35.7254 -23.3863 34.8328 -30.6665 50.6296 -28.5555 49.5429 19.2416 TIMING: 3875600 CPU: 12310.4, 0.00316946/step Wall: 12310.4, 0.00316946/step, 0.989928 hours remaining, 242.417969 MB of memory in use. ENERGY: 3875600 4009.2051 20530.1718 14518.0329 235.2934 -203132.7730 2703.2872 0.0000 0.0000 52333.2865 -108803.4961 300.7601 -161136.7827 -108438.9942 301.0167 -14.2463 15.5114 763320.5445 -9.0021 -8.8440 PRESSURE: 3875800 -54.0903 -43.9509 167.677 -43.9505 -112.691 -293.415 167.678 -293.416 -187.704 GPRESSURE: 3875800 48.4515 -56.3606 17.538 -113.087 -35.0003 -236.883 47.247 -183.724 -273.586 PRESSAVG: 3875800 -29.1499 -14.9376 37.8825 -14.9375 -27.7387 -15.9621 37.8826 -15.9622 -2.38602 GPRESSAVG: 3875800 -29.466 -15.8116 39.4246 -15.4448 -26.5717 -15.2074 37.6907 -13.3575 -3.28739 TIMING: 3875800 CPU: 12311, 0.00316427/step Wall: 12311, 0.00316427/step, 0.988133 hours remaining, 242.417969 MB of memory in use. ENERGY: 3875800 3951.4496 20588.0353 14501.9543 251.1998 -203430.6903 2712.0798 0.0000 0.0000 52353.7461 -109072.2255 300.8777 -161425.9716 -108706.6039 300.6386 -118.1617 -86.7117 762112.3855 -19.7582 -19.7750 PRESSURE: 3876000 -193.509 -81.2851 -70.6182 -81.2859 -207.113 180.258 -70.6178 180.259 90.7636 GPRESSURE: 3876000 -190.946 -127.971 -161.35 -49.7027 -189.087 148.956 -100.563 80.3772 155.018 PRESSAVG: 3876000 -32.7328 -47.0546 40.8688 -47.0545 5.25709 0.551878 40.8689 0.551909 -12.1912 GPRESSAVG: 3876000 -31.6097 -46.736 40.4442 -46.4792 4.38067 0.912506 41.605 -1.91311 -12.9559 TIMING: 3876000 CPU: 12311.6, 0.00317658/step Wall: 12311.6, 0.00317658/step, 0.991799 hours remaining, 242.417969 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: 3876000 4020.3070 20654.3659 14495.4921 251.9705 -203471.2956 2625.8799 0.0000 0.0000 52251.8654 -109171.4148 300.2922 -161423.2802 -108814.8059 300.3808 -103.2863 -75.0051 761268.8748 -13.2223 -13.3949 PRESSURE: 3876200 -385.212 299.165 -21.3647 299.166 57.1251 -74.0218 -21.3654 -74.0219 49.6262 GPRESSURE: 3876200 -275.2 151.248 60.2632 308.292 28.0641 -113.601 13.4046 -141.706 43.1076 PRESSAVG: 3876200 -16.2915 -18.5016 -5.14708 -18.5016 -3.87173 25.9097 -5.14702 25.9097 -6.73885 GPRESSAVG: 3876200 -16.0146 -18.4013 -5.57875 -18.6409 -5.3584 26.147 -4.95555 25.095 -5.88155 TIMING: 3876200 CPU: 12312.3, 0.00315832/step Wall: 12312.3, 0.00315832/step, 0.985921 hours remaining, 242.417969 MB of memory in use. ENERGY: 3876200 3995.5256 20457.8201 14477.3147 246.4860 -203108.3723 2578.2543 0.0000 0.0000 52086.5117 -109266.4600 299.3419 -161352.9716 -108889.1993 300.0097 -92.8202 -68.0094 763585.7071 -8.9674 -9.0848 LDB: ============= START OF LOAD BALANCING ============== 12324.7 LDB: ============== END OF LOAD BALANCING =============== 12324.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12324.7 LDB: ============= START OF LOAD BALANCING ============== 12325 LDB: Largest compute 7073 load 0.033369 is 17.1% of average load 0.195420 LDB: Average compute 0.004357 is 2.2% of average load 0.195420 LDB: TIME 12325 LOAD: AVG 0.19542 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.406 MB LDB: TIME 12325 LOAD: AVG 0.19542 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.609 MB LDB: TIME 12325 LOAD: AVG 0.19542 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.609 MB LDB: ============== END OF LOAD BALANCING =============== 12325 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12325 PRESSURE: 3876400 -201.645 -197.966 -81.7028 -197.967 -158.512 -87.5677 -81.7011 -87.5681 -135.678 GPRESSURE: 3876400 -279.16 -142.156 -91.2597 -270.246 -45.8614 -74.8923 -95.2029 -41.148 -75.2741 PRESSAVG: 3876400 -47.3392 -34.5025 -1.98073 -34.5025 17.5438 47.1915 -1.98069 47.1914 0.0854871 GPRESSAVG: 3876400 -46.7704 -36.2703 -1.3406 -32.0796 17.6621 45.9377 -0.93422 48.0173 -0.244345 TIMING: 3876400 CPU: 12312.9, 0.00321665/step Wall: 12312.9, 0.00321665/step, 1.00395 hours remaining, 241.367188 MB of memory in use. ENERGY: 3876400 4034.8152 20509.1775 14354.2119 240.7907 -202910.9637 2437.0201 0.0000 0.0000 52244.7704 -109090.1780 300.2514 -161334.9484 -108729.1619 299.6470 -165.2785 -133.4319 764666.6565 -9.9033 -9.7842 PRESSURE: 3876600 147.465 -14.8382 29.4982 -14.8385 9.85248 -139.774 29.4981 -139.773 79.6806 GPRESSURE: 3876600 117.018 27.0813 42.1355 -59.3193 82.2678 -61.3351 -140.753 -220.254 95.9549 PRESSAVG: 3876600 19.0976 -32.2953 36.0242 -32.2953 -44.0765 -6.96381 36.0242 -6.96382 1.35468 GPRESSAVG: 3876600 17.6185 -31.9489 35.0588 -33.0947 -42.6711 -5.88141 35.3274 -7.16959 1.73764 TIMING: 3876600 CPU: 12313.5, 0.0031286/step Wall: 12313.5, 0.0031286/step, 0.976297 hours remaining, 241.437500 MB of memory in use. ENERGY: 3876600 3971.5485 20568.0825 14352.4978 249.3696 -203493.9950 2874.7192 0.0000 0.0000 52321.2647 -109156.5126 300.6910 -161477.7773 -108792.5549 300.1316 78.9992 98.4135 761008.7200 -7.8747 -7.7717 PRESSURE: 3876800 -141.891 80.8508 -53.4467 80.8514 0.647045 -63.7949 -53.4462 -63.7939 62.1984 GPRESSURE: 3876800 -83.6025 12.4344 -46.5285 73.9959 61.6932 -68.2092 -145.085 -61.0943 12.3097 PRESSAVG: 3876800 -34.1342 -68.2578 -4.27858 -68.2577 7.61751 18.6581 -4.27863 18.6581 -15.9531 GPRESSAVG: 3876800 -33.3823 -70.1676 -4.46802 -67.9743 7.90508 18.1625 -5.31373 18.0462 -16.5653 TIMING: 3876800 CPU: 12314.1, 0.00314204/step Wall: 12314.1, 0.00314204/step, 0.980316 hours remaining, 241.437500 MB of memory in use. ENERGY: 3876800 3940.7727 20707.3750 14462.2282 250.3159 -203143.6953 2512.0279 0.0000 0.0000 52117.6742 -109153.3015 299.5210 -161270.9757 -108788.5864 299.8851 -26.3487 -3.1999 761554.2865 -14.1566 -14.0142 PRESSURE: 3877000 -15.4461 -13.0308 -61.6458 -13.0305 23.3032 46.3219 -61.6454 46.3215 326.564 GPRESSURE: 3877000 57.0988 -29.596 -161.435 -93.7365 -16.5298 25.9399 50.6762 27.5658 391.112 PRESSAVG: 3877000 -9.97966 2.24176 -11.2596 2.24179 1.1888 44.9928 -11.2595 44.9928 28.8285 GPRESSAVG: 3877000 -10.1301 4.89721 -9.93854 0.479025 0.871999 45.6911 -9.97256 44.9027 29.9617 TIMING: 3877000 CPU: 12314.8, 0.00314353/step Wall: 12314.8, 0.00314353/step, 0.980607 hours remaining, 241.437500 MB of memory in use. ENERGY: 3877000 3938.5683 20636.8747 14376.4009 237.2619 -203448.7540 2775.9401 0.0000 0.0000 52433.3651 -109050.3430 301.3353 -161483.7081 -108687.7870 300.1864 111.4736 143.8935 762288.0226 6.6792 6.9012 PRESSURE: 3877200 -203.915 54.7437 38.8225 54.7448 133.756 53.4127 38.8234 53.4118 -317.869 GPRESSURE: 3877200 -145.718 142.93 106.352 -38.6616 185.162 3.89353 23.3855 84.6198 -359.742 PRESSAVG: 3877200 -16.444 5.70467 -38.6425 5.70475 30.5048 -4.83914 -38.6426 -4.83913 -15.4576 GPRESSAVG: 3877200 -15.991 5.48063 -39.0627 4.66615 30.865 -4.29621 -38.7558 -4.7449 -15.2552 TIMING: 3877200 CPU: 12315.4, 0.00315256/step Wall: 12315.4, 0.00315256/step, 0.983249 hours remaining, 241.437500 MB of memory in use. ENERGY: 3877200 4015.5055 20567.5639 14447.4598 232.2241 -203099.2959 2697.9234 0.0000 0.0000 51976.1390 -109162.4802 298.7076 -161138.6193 -108798.2695 300.2355 -129.3425 -106.7658 763064.6783 -0.4656 -0.1271 PRESSURE: 3877400 -1.15148 -34.3794 -24.5019 -34.3796 74.5164 -64.0511 -24.5015 -64.0506 -121.107 GPRESSURE: 3877400 94.0292 -12.4875 -106.661 -37.369 87.5454 -46.9665 -32.8641 -134.004 -160.258 PRESSAVG: 3877400 -7.43585 9.93824 17.0298 9.93837 11.0456 4.96669 17.0298 4.96663 -10.6287 GPRESSAVG: 3877400 -7.87319 8.37255 16.7882 13.3971 12.0403 3.09177 15.9308 5.88809 -11.2845 TIMING: 3877400 CPU: 12316, 0.00316088/step Wall: 12316, 0.00316088/step, 0.985667 hours remaining, 241.437500 MB of memory in use. ENERGY: 3877400 4014.9937 20530.1427 14433.2729 255.9935 -203262.3963 2664.3581 0.0000 0.0000 52204.9085 -109158.7269 300.0223 -161363.6354 -108787.2300 299.8154 -15.9140 7.1056 760544.9725 -2.3396 -2.3725 PRESSURE: 3877600 -314.254 -119.527 -49.1807 -119.527 135.081 -299.033 -49.1808 -299.033 -52.7131 GPRESSURE: 3877600 -275.753 -58.4625 -43.2276 -178.677 140.781 -296.764 -85.5401 -192.871 -6.13342 PRESSAVG: 3877600 4.11962 3.3086 -14.6785 3.30861 -51.6441 0.993596 -14.6785 0.993593 21.2362 GPRESSAVG: 3877600 4.08002 5.53057 -15.2792 2.1496 -52.0446 0.506206 -14.5178 1.11915 21.4233 TIMING: 3877600 CPU: 12316.7, 0.00316457/step Wall: 12316.7, 0.00316457/step, 0.986643 hours remaining, 241.437500 MB of memory in use. ENERGY: 3877600 3958.5809 20475.9285 14489.6048 218.6147 -203309.9101 2753.8898 0.0000 0.0000 52237.6016 -109175.6899 300.2102 -161413.2915 -108814.4123 299.5868 -77.2955 -47.0353 762195.2551 -8.7627 -8.8471 PRESSURE: 3877800 2.95348 -72.6789 6.82583 -72.6793 -91.1525 107.756 6.82543 107.756 -152.818 GPRESSURE: 3877800 25.6711 -131.048 26.5463 -86.5606 -21.1548 106.899 -56.2481 66.6878 -177.541 PRESSAVG: 3877800 39.6566 -12.6898 41.2612 -12.6898 -67.5866 -7.69096 41.2612 -7.69099 13.7415 GPRESSAVG: 3877800 40.7754 -13.3123 42.6298 -11.6555 -68.5932 -6.80388 41.8439 -7.85215 13.1356 TIMING: 3877800 CPU: 12317.3, 0.00315928/step Wall: 12317.3, 0.00315928/step, 0.984818 hours remaining, 241.437500 MB of memory in use. ENERGY: 3877800 4020.6415 20528.3805 14502.5768 233.9407 -203351.5953 2630.0586 0.0000 0.0000 52341.0701 -109094.9271 300.8048 -161435.9972 -108722.5876 300.2571 -80.3390 -57.6751 761522.1245 -4.7295 -4.8940 PRESSURE: 3878000 106.607 -32.6058 188.467 -32.6052 61.4894 78.0651 188.467 78.0639 329.384 GPRESSURE: 3878000 111.55 29.0525 245.26 -78.1482 87.0685 51.1589 93.2915 56.9082 383.053 PRESSAVG: 3878000 -21.2231 -25.7501 6.99566 -25.7501 23.5056 16.9664 6.99565 16.9663 28.9892 GPRESSAVG: 3878000 -22.884 -25.6258 4.53682 -25.0747 24.3794 17.853 7.51612 15.5455 30.1049 TIMING: 3878000 CPU: 12317.9, 0.00316336/step Wall: 12317.9, 0.00316336/step, 0.985912 hours remaining, 241.437500 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: 3878000 4031.9514 20598.1737 14451.1778 255.4588 -203205.0445 2711.0684 0.0000 0.0000 52136.0901 -109021.1243 299.6268 -161157.2144 -108667.6838 300.4258 165.8267 193.8903 762514.4948 10.4239 10.5334 PRESSURE: 3878200 258.368 28.0673 126.527 28.0685 83.9635 -2.06894 126.528 -2.06983 73.5899 GPRESSURE: 3878200 232.46 25.4236 118.375 40.2334 169.042 55.3788 203.769 -85.6643 89.7361 PRESSAVG: 3878200 -21.2306 -22.018 34.3398 -22.0181 54.0442 0.918851 34.3398 0.918827 -10.7516 GPRESSAVG: 3878200 -22.3651 -20.9625 35.3007 -24.4994 55.2526 0.348972 33.6512 4.1791 -11.0185 TIMING: 3878200 CPU: 12318.6, 0.00317344/step Wall: 12318.6, 0.00317344/step, 0.988878 hours remaining, 241.437500 MB of memory in use. ENERGY: 3878200 3985.6232 20561.5178 14519.8188 243.0696 -203378.8034 2711.5491 0.0000 0.0000 52397.2361 -108959.9887 301.1276 -161357.2248 -108600.4948 300.2150 138.6405 163.7460 760253.0237 7.3540 7.2897 PRESSURE: 3878400 48.3441 -48.8341 161.186 -48.835 -93.2751 -138.804 161.185 -138.804 -344.253 GPRESSURE: 3878400 2.248 -86.6603 171.229 -41.9184 51.6605 -132.815 150.532 -27.4608 -342.487 PRESSAVG: 3878400 36.256 -4.69962 -18.2375 -4.69963 -6.66753 -24.7826 -18.2375 -24.7827 4.54958 GPRESSAVG: 3878400 37.8267 -6.39183 -19.4078 -3.02602 -7.41557 -23.9374 -15.6453 -28.2606 4.05417 TIMING: 3878400 CPU: 12319.2, 0.00313378/step Wall: 12319.2, 0.00313378/step, 0.976348 hours remaining, 241.437500 MB of memory in use. ENERGY: 3878400 4038.8627 20375.0890 14448.9788 223.2284 -203532.9213 2890.7788 0.0000 0.0000 52227.3406 -109328.6431 300.1512 -161555.9836 -108957.2685 300.6928 -129.7278 -96.1929 759941.7047 11.3794 11.4884 PRESSURE: 3878600 305.699 -217.353 -79.4195 -217.353 -202.766 -214.312 -79.4183 -214.313 94.4576 GPRESSURE: 3878600 301.977 -155.716 -63.008 -193.353 -154.942 -239.116 2.5234 -245.556 129.7 PRESSAVG: 3878600 50.7583 -72.4509 -1.69084 -72.4509 7.08463 -74.0599 -1.6908 -74.0599 -3.68552 GPRESSAVG: 3878600 50.9289 -72.0412 -0.92396 -73.9149 6.68663 -73.9268 -3.66083 -72.7341 -3.98055 TIMING: 3878600 CPU: 12319.8, 0.00317707/step Wall: 12319.8, 0.00317707/step, 0.989657 hours remaining, 241.437500 MB of memory in use. ENERGY: 3878600 3878.7057 20572.7602 14449.6898 273.5673 -203498.8400 2672.9911 0.0000 0.0000 52338.4646 -109312.6613 300.7899 -161651.1259 -108937.3470 299.8754 65.7971 92.2454 759887.4681 18.0525 17.8783 PRESSURE: 3878800 -319.438 -85.7492 135.827 -85.7489 -193.81 -195.746 135.828 -195.747 59.3214 GPRESSURE: 3878800 -266.521 0.360154 140.181 -90.896 -128.155 -277.112 105.378 -223.786 19.5717 PRESSAVG: 3878800 -35.6481 -21.0963 22.351 -21.0962 -14.0906 -47.619 22.3509 -47.6191 -1.51031 GPRESSAVG: 3878800 -35.7305 -22.2348 21.3631 -20.6798 -14.6196 -48.8832 22.4306 -47.8295 -0.779611 TIMING: 3878800 CPU: 12320.5, 0.00316314/step Wall: 12320.5, 0.00316314/step, 0.985141 hours remaining, 241.437500 MB of memory in use. ENERGY: 3878800 3980.5114 20531.9620 14425.3305 248.9051 -203836.0323 2855.1696 0.0000 0.0000 52235.9722 -109558.1815 300.2009 -161794.1537 -109194.6256 299.5879 -151.3089 -125.0347 761686.0804 -17.0830 -17.0433 PRESSURE: 3879000 -295.353 277.558 -110.567 277.558 -58.0517 27.9692 -110.567 27.9689 -190.687 GPRESSURE: 3879000 -214.9 274.852 -15.0378 270.637 -11.2841 -42.9281 -180.78 16.4522 -235.748 PRESSAVG: 3879000 -44.8602 -55.6425 -16.8807 -55.6425 30.9503 -44.2873 -16.8806 -44.2873 2.32796 GPRESSAVG: 3879000 -45.1315 -53.5147 -14.9466 -55.9911 32.1288 -44.9028 -18.8613 -46.3991 2.07575 TIMING: 3879000 CPU: 12321.1, 0.00317369/step Wall: 12321.1, 0.00317369/step, 0.988253 hours remaining, 241.437500 MB of memory in use. ENERGY: 3879000 4048.1308 20534.5388 14434.3056 262.5466 -203693.3388 2954.0535 0.0000 0.0000 52118.3015 -109341.4620 299.5246 -161459.7635 -108977.3791 299.7573 -181.3639 -153.9774 762113.9266 -3.8606 -3.6423 PRESSURE: 3879200 174.426 -163.524 -62.3212 -163.524 113.35 97.9003 -62.3217 97.8997 170.837 GPRESSURE: 3879200 231.255 -103.358 -56.0265 -158.336 156.001 101.734 -156.505 71.1012 165.745 PRESSAVG: 3879200 -30.0635 4.69502 -42.5169 4.69503 6.84176 53.0063 -42.5169 53.0062 12.7027 GPRESSAVG: 3879200 -29.7171 4.19313 -42.4355 2.15548 5.80195 53.8968 -42.3546 56.2789 13.4728 TIMING: 3879200 CPU: 12321.7, 0.00315108/step Wall: 12321.7, 0.00315108/step, 0.981035 hours remaining, 241.437500 MB of memory in use. ENERGY: 3879200 3903.8006 20587.9675 14370.6004 247.9240 -203502.9285 2625.9618 0.0000 0.0000 52373.3523 -109393.3219 300.9904 -161766.6741 -109038.0486 299.8073 152.8708 184.3337 761997.3222 -3.5063 -3.4808 PRESSURE: 3879400 200.361 51.0203 -102.873 51.021 99.8301 -84.3273 -102.872 -84.3278 -85.7755 GPRESSURE: 3879400 209.75 81.1996 -78.721 -21.3887 111.456 -57.7164 -50.3402 -69.0625 -36.7508 PRESSAVG: 3879400 75.7158 -27.233 -61.0445 -27.2329 -45.9574 36.7477 -61.0445 36.7477 -15.033 GPRESSAVG: 3879400 74.3405 -27.7748 -62.6012 -24.0474 -45.4459 38.5696 -58.6864 36.5667 -14.4618 TIMING: 3879400 CPU: 12322.4, 0.00316879/step Wall: 12322.4, 0.00316879/step, 0.986375 hours remaining, 241.437500 MB of memory in use. ENERGY: 3879400 3973.4165 20546.7735 14425.5567 251.4195 -203563.7031 2800.7482 0.0000 0.0000 52219.0496 -109346.7391 300.1036 -161565.7888 -108981.1461 300.0902 71.4717 94.8185 760942.3367 4.9085 4.8109 PRESSURE: 3879600 49.3392 14.4176 240.386 14.4177 53.0449 -67.0982 240.386 -67.0993 -2.57498 GPRESSURE: 3879600 15.195 -46.311 168.913 89.3369 114.814 3.72013 192.168 -95.712 66.9797 PRESSAVG: 3879600 -10.626 -14.5242 5.28171 -14.5242 40.7414 -24.6752 5.28161 -24.6753 1.23637 GPRESSAVG: 3879600 -10.8131 -16.2159 6.52192 -13.6003 39.841 -25.9227 3.61824 -24.3337 1.5484 TIMING: 3879600 CPU: 12323, 0.00314028/step Wall: 12323, 0.00314028/step, 0.977326 hours remaining, 241.437500 MB of memory in use. ENERGY: 3879600 3934.6705 20446.0384 14350.3165 247.2714 -203335.0034 2612.3117 0.0000 0.0000 52254.7677 -109489.6271 300.3089 -161744.3948 -109113.9100 299.3260 33.2697 65.6630 760893.5480 10.4506 10.1921 PRESSURE: 3879800 -295.594 138.186 87.3675 138.187 14.8143 188.042 87.3676 188.042 29.2077 GPRESSURE: 3879800 -206.741 115.079 69.3509 68.679 47.3571 141.128 42.3393 347.864 -14.5228 PRESSAVG: 3879800 -20.8803 -18.7846 3.59591 -18.7847 24.4757 -27.0128 3.59598 -27.0127 -11.8979 GPRESSAVG: 3879800 -21.2406 -18.3703 3.3829 -21.2698 26.3528 -25.9105 3.67767 -27.4626 -13.2309 TIMING: 3879800 CPU: 12323.6, 0.00313486/step Wall: 12323.6, 0.00313486/step, 0.975464 hours remaining, 241.437500 MB of memory in use. ENERGY: 3879800 3945.5495 20551.8488 14447.8158 223.7499 -203564.3205 2602.2712 0.0000 0.0000 52271.1227 -109521.9625 300.4029 -161793.0852 -109154.4647 299.1171 -83.8574 -57.9689 760865.5210 -2.7675 -2.7062 PRESSURE: 3880000 191.203 -26.4146 -30.0884 -26.4147 -41.7246 -129.494 -30.089 -129.494 -756.891 GPRESSURE: 3880000 179.554 -29.0556 -18.653 -50.7504 47.6796 -78.5817 -69.4504 -14.7066 -768.038 PRESSAVG: 3880000 3.91498 -11.8916 -12.6341 -11.8917 -14.6714 -2.73884 -12.6341 -2.73887 -1.73399 GPRESSAVG: 3880000 4.99501 -12.2769 -12.7437 -10.8634 -16.3932 -3.88025 -12.3637 -2.89258 -1.36954 TIMING: 3880000 CPU: 12324.3, 0.00315378/step Wall: 12324.3, 0.00315378/step, 0.981175 hours remaining, 241.437500 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: 3880000 4046.3029 20527.1405 14382.2135 239.1970 -203404.9147 2431.5659 0.0000 0.0000 52067.9133 -109710.5815 299.2350 -161778.4948 -109362.9813 299.2292 -202.4708 -180.2683 761097.8093 -4.1635 -4.2559 PRESSURE: 3880200 -108.583 23.319 255.218 23.3184 -118.102 -74.2866 255.217 -74.2869 -162.366 GPRESSURE: 3880200 -35.72 -12.4642 291.133 140.081 -27.3224 -26.88 192.873 -150.756 -252.848 PRESSAVG: 3880200 42.1761 -20.1588 -25.2149 -20.1588 -30.6176 4.53883 -25.215 4.53885 9.2191 GPRESSAVG: 3880200 41.398 -19.7045 -24.9017 -19.8257 -29.12 5.28234 -26.1038 3.83485 8.84507 TIMING: 3880200 CPU: 12324.9, 0.0031639/step Wall: 12324.9, 0.0031639/step, 0.984149 hours remaining, 241.437500 MB of memory in use. ENERGY: 3880200 4077.7782 20612.3105 14425.9763 245.7288 -203379.2457 2422.9494 0.0000 0.0000 52122.8872 -109471.6154 299.5509 -161594.5026 -109099.6065 299.0824 -129.6838 -105.2967 760487.7603 6.9259 7.0410 LDB: ============= START OF LOAD BALANCING ============== 12337.3 LDB: ============== END OF LOAD BALANCING =============== 12337.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12337.3 LDB: ============= START OF LOAD BALANCING ============== 12337.7 LDB: Largest compute 7074 load 0.035309 is 18.1% of average load 0.195447 LDB: Average compute 0.004375 is 2.2% of average load 0.195447 LDB: TIME 12337.7 LOAD: AVG 0.195447 MAX 0.214596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.906 MB LDB: TIME 12337.7 LOAD: AVG 0.195447 MAX 0.214596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.109 MB LDB: TIME 12337.7 LOAD: AVG 0.195447 MAX 0.214596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.109 MB LDB: ============== END OF LOAD BALANCING =============== 12337.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12337.7 PRESSURE: 3880400 -81.8285 194.48 -85.3002 194.48 33.4912 -101.568 -85.301 -101.567 -59.7601 GPRESSURE: 3880400 2.59075 203.205 -136.067 56.936 106.24 -89.0187 -56.8002 -56.9131 -127.399 PRESSAVG: 3880400 -58.3965 11.2257 7.42036 11.2257 20.012 18.937 7.42035 18.9371 14.4203 GPRESSAVG: 3880400 -58.1678 10.832 7.75671 10.6387 18.6777 18.1141 7.5159 20.1162 15.2239 TIMING: 3880400 CPU: 12325.5, 0.00322186/step Wall: 12325.5, 0.00322186/step, 1.002 hours remaining, 240.539062 MB of memory in use. ENERGY: 3880400 4000.6618 20608.2193 14441.9193 246.7403 -203497.1382 2482.2460 0.0000 0.0000 52029.7213 -109687.6303 299.0155 -161717.3516 -109326.5562 299.4972 -36.0325 -6.1892 759698.7398 -7.9880 -8.0887 PRESSURE: 3880600 -330.368 -140.246 59.3937 -140.246 -188.188 193.612 59.394 193.612 -360.502 GPRESSURE: 3880600 -227.944 -182.564 2.36919 -176.414 -174.974 166.409 32.679 57.9625 -396.771 PRESSAVG: 3880600 18.9664 -57.9716 -5.45862 -57.9716 -14.195 19.1235 -5.45868 19.1236 31.1914 GPRESSAVG: 3880600 19.7083 -58.5839 -4.05722 -58.6403 -13.1826 19.3242 -5.857 19.036 29.777 TIMING: 3880600 CPU: 12326.2, 0.00315413/step Wall: 12326.2, 0.00315413/step, 0.980759 hours remaining, 240.539062 MB of memory in use. ENERGY: 3880600 3941.5671 20571.9928 14345.3648 246.8771 -203183.3805 2377.8383 0.0000 0.0000 52045.3328 -109654.4077 299.1052 -161699.7404 -109288.6764 299.1338 -293.0196 -266.5629 759481.9572 11.9876 12.1009 PRESSURE: 3880800 -100.897 122.781 -248.119 122.78 -82.6456 -84.2901 -248.119 -84.2914 -132.889 GPRESSURE: 3880800 -134.139 171.837 -289.354 150.967 -30.1701 -141.753 -225.956 -3.33247 -67.2926 PRESSAVG: 3880800 -25.4413 -70.8771 -49.4719 -70.8771 15.2317 -59.2243 -49.4719 -59.2243 -43.5239 GPRESSAVG: 3880800 -26.0075 -70.2595 -51.9942 -70.7863 14.5865 -59.993 -47.6262 -59.9978 -42.1571 TIMING: 3880800 CPU: 12326.8, 0.00314075/step Wall: 12326.8, 0.00314075/step, 0.976426 hours remaining, 240.539062 MB of memory in use. ENERGY: 3880800 3975.8156 20532.1474 14438.1784 248.2003 -203575.6815 2513.7659 0.0000 0.0000 52208.2091 -109659.3649 300.0413 -161867.5740 -109291.9511 298.8897 -105.4771 -77.2004 759176.5150 -17.9112 -17.8593 PRESSURE: 3881000 -91.2547 -94.0354 -68.8635 -94.0359 88.3838 145.785 -68.864 145.786 -252.728 GPRESSURE: 3881000 -69.1967 -18.9296 -77.4725 -74.8398 114.318 181.043 -71.0786 105.28 -217.267 PRESSAVG: 3881000 -4.28311 -42.6868 16.7306 -42.6868 19.6758 -38.1913 16.7306 -38.1914 13.8256 GPRESSAVG: 3881000 -4.06749 -41.972 17.016 -38.2175 19.6772 -37.6723 15.7553 -37.2576 13.5559 TIMING: 3881000 CPU: 12327.4, 0.00314026/step Wall: 12327.4, 0.00314026/step, 0.976099 hours remaining, 240.539062 MB of memory in use. ENERGY: 3881000 4032.6097 20494.7402 14430.8876 256.6954 -203546.7853 2548.2789 0.0000 0.0000 52064.5706 -109719.0029 299.2158 -161783.5735 -109360.1322 298.9051 -85.1998 -57.3817 759884.4539 9.7395 9.7219 PRESSURE: 3881200 78.1057 -5.88153 -23.7337 -5.88169 62.2665 -8.96098 -23.733 -8.96176 165.02 GPRESSURE: 3881200 100.105 -107.157 7.67455 24.0303 144.945 -22.5793 34.08 78.0071 164.868 PRESSAVG: 3881200 62.9944 -48.1387 -9.71179 -48.1388 -3.91342 -19.038 -9.71182 -19.038 -9.56945 GPRESSAVG: 3881200 64.0554 -46.4591 -8.98988 -52.3037 -4.10074 -18.4753 -10.1693 -18.6882 -10.1524 TIMING: 3881200 CPU: 12328, 0.00316109/step Wall: 12328, 0.00316109/step, 0.982396 hours remaining, 240.539062 MB of memory in use. ENERGY: 3881200 3935.6294 20613.1821 14420.4583 252.6212 -203193.8303 2492.4481 0.0000 0.0000 52100.3598 -109379.1314 299.4215 -161479.4912 -109012.6542 299.3694 101.7975 136.6390 759993.4738 16.5039 16.6008 PRESSURE: 3881400 -46.3897 22.6366 43.5497 22.6363 -289.62 -22.3779 43.5504 -22.3774 461.384 GPRESSURE: 3881400 -148.581 0.23983 25.337 80.0286 -89.3241 10.8204 39.313 -41.7721 457.845 PRESSAVG: 3881400 -19.0152 -48.4726 -4.96328 -48.4726 -10.5746 -1.43052 -4.9633 -1.43053 -24.883 GPRESSAVG: 3881400 -20.8901 -51.508 -6.84092 -46.4026 -9.48663 -1.57467 -3.3626 -3.63103 -23.8886 TIMING: 3881400 CPU: 12328.7, 0.00320691/step Wall: 12328.7, 0.00320691/step, 0.996459 hours remaining, 240.539062 MB of memory in use. ENERGY: 3881400 3959.8766 20617.1863 14409.6279 250.9285 -202984.5958 2134.5249 0.0000 0.0000 52139.5138 -109472.9378 299.6465 -161612.4516 -109113.0484 299.4099 41.7913 73.3133 760617.7371 -18.1576 -18.0884 PRESSURE: 3881600 -319.211 -117.525 27.1721 -117.525 84.7863 159.197 27.1721 159.197 436.539 GPRESSURE: 3881600 -212.924 -82.0406 67.6618 -65.8508 83.9308 167.392 189.66 34.1844 412.761 PRESSAVG: 3881600 18.9093 -52.1292 -21.649 -52.1292 -7.73302 7.92471 -21.6489 7.92472 -17.033 GPRESSAVG: 3881600 21.5112 -51.4642 -19.972 -52.3596 -8.67589 8.72232 -23.3163 9.03783 -18.9765 TIMING: 3881600 CPU: 12329.3, 0.00317906/step Wall: 12329.3, 0.00317906/step, 0.987627 hours remaining, 240.539062 MB of memory in use. ENERGY: 3881600 4055.8161 20462.1883 14409.4608 245.5783 -203296.4905 2600.3438 0.0000 0.0000 51902.3918 -109620.7113 298.2838 -161523.1031 -109259.8914 299.1726 67.3712 94.5894 762298.6752 -1.9522 -2.0471 PRESSURE: 3881800 80.9607 -65.4478 126.627 -65.4478 140.34 109.108 126.628 109.107 74.6965 GPRESSURE: 3881800 67.1524 -122.49 148.107 -68.2931 204.379 101.158 -10.8862 85.6402 109.206 PRESSAVG: 3881800 21.6607 -38.9504 34.7471 -38.9504 -18.4097 -24.938 34.747 -24.938 -7.46018 GPRESSAVG: 3881800 19.5031 -38.5443 33.8222 -40.7891 -17.1551 -24.8541 35.2295 -25.1604 -6.4733 TIMING: 3881800 CPU: 12330, 0.00317336/step Wall: 12330, 0.00317336/step, 0.985682 hours remaining, 240.539062 MB of memory in use. ENERGY: 3881800 3987.2421 20422.4055 14494.2068 230.9139 -203643.9426 2840.3184 0.0000 0.0000 51956.0634 -109712.7927 298.5922 -161668.8561 -109356.8455 299.0591 98.6656 126.9125 760343.8299 -1.4031 -1.3751 PRESSURE: 3882000 -109.078 -29.0145 -33.9352 -29.0143 -58.2813 -119.255 -33.9355 -119.255 -151.2 GPRESSURE: 3882000 -101.945 15.1518 -64.523 -42.2876 -0.347256 -47.5724 42.9489 -113.181 -130.124 PRESSAVG: 3882000 9.24502 -21.6967 0.365117 -21.6968 -43.9596 -24.3378 0.36516 -24.3378 -8.4726 GPRESSAVG: 3882000 9.64444 -21.3537 0.275292 -19.8009 -44.6961 -24.2556 0.622406 -25.4008 -8.11452 TIMING: 3882000 CPU: 12330.6, 0.00315749/step Wall: 12330.6, 0.00315749/step, 0.980576 hours remaining, 240.539062 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: 3882000 4051.4595 20525.3859 14436.8914 243.6658 -202994.8676 2450.4115 0.0000 0.0000 51869.3104 -109417.7430 298.0936 -161287.0534 -109060.3227 299.2850 -106.1867 -77.4721 762862.2527 -14.3957 -14.3887 PRESSURE: 3882200 -5.43015 31.5165 203.741 31.5165 -98.6256 124.262 203.74 124.261 -274.055 GPRESSURE: 3882200 8.57397 19.0779 195.41 66.1879 -93.095 -36.7104 122.802 114.877 -215.057 PRESSAVG: 3882200 13.4841 -44.1558 26.919 -44.1558 -47.8039 -9.50923 26.919 -9.50922 -21.5497 GPRESSAVG: 3882200 12.3263 -43.5407 28.4859 -45.7041 -47.0944 -8.89695 27.8137 -10.36 -20.7122 TIMING: 3882200 CPU: 12331.2, 0.00314215/step Wall: 12331.2, 0.00314215/step, 0.975639 hours remaining, 240.539062 MB of memory in use. ENERGY: 3882200 3976.4642 20566.2062 14486.1193 236.4107 -203279.8124 2693.7831 0.0000 0.0000 52215.7426 -109105.0864 300.0846 -161320.8290 -108742.2103 299.2215 -126.0369 -99.8593 761867.5241 -18.6232 -18.4934 PRESSURE: 3882400 209.552 -13.8576 96.1036 -13.8581 62.1445 -196.379 96.1035 -196.378 252.666 GPRESSURE: 3882400 286.697 50.4712 144.619 15.3144 60.4246 -235.957 33.436 -90.8753 272.266 PRESSAVG: 3882400 32.4506 21.3545 11.5155 21.3545 -34.6698 15.4327 11.5155 15.4327 -17.9103 GPRESSAVG: 3882400 34.9039 19.8253 10.3527 23.272 -35.5823 13.4662 10.4389 18.253 -19.3697 TIMING: 3882400 CPU: 12331.8, 0.0031534/step Wall: 12331.8, 0.0031534/step, 0.978956 hours remaining, 240.539062 MB of memory in use. ENERGY: 3882400 3963.1542 20536.2927 14438.4678 264.4075 -203160.3389 2440.9678 0.0000 0.0000 52244.4995 -109272.5493 300.2499 -161517.0488 -108902.0977 299.6912 174.7874 206.4627 761889.1349 -6.7098 -6.6827 PRESSURE: 3882600 -56.7522 131.934 -28.2691 131.933 -236.04 -81.5373 -28.2695 -81.5369 -247.226 GPRESSURE: 3882600 -16.6952 69.6951 -69.7484 165.666 -150.536 -114.95 31.6847 21.8846 -260.636 PRESSAVG: 3882600 5.43763 19.5393 56.5052 19.5393 -29.197 -14.3064 56.5052 -14.3064 -5.97212 GPRESSAVG: 3882600 5.40838 19.9599 55.7538 18.2146 -29.753 -15.1841 56.2125 -15.9466 -5.34311 TIMING: 3882600 CPU: 12332.5, 0.00314429/step Wall: 12332.5, 0.00314429/step, 0.975953 hours remaining, 240.539062 MB of memory in use. ENERGY: 3882600 4033.3132 20600.0357 14429.4868 230.8658 -203240.0765 2485.3470 0.0000 0.0000 52082.5833 -109378.4445 299.3193 -161461.0279 -109029.0751 299.8497 -180.0061 -142.6225 760749.2887 -9.9105 -9.8959 PRESSURE: 3882800 -467.929 -5.71203 177.072 -5.71215 -63.0725 -86.0377 177.072 -86.0379 230.353 GPRESSURE: 3882800 -359.935 -125.03 140.604 -42.1196 -55.2988 -110.708 159.591 32.2643 211.897 PRESSAVG: 3882800 -27.5904 -20.6552 -38.7637 -20.6552 40.4848 21.8647 -38.7638 21.8648 -12.2419 GPRESSAVG: 3882800 -28.0694 -21.9351 -37.4563 -19.5968 41.2754 23.4633 -38.8535 21.6688 -12.5852 TIMING: 3882800 CPU: 12333.1, 0.00315845/step Wall: 12333.1, 0.00315845/step, 0.980171 hours remaining, 240.539062 MB of memory in use. ENERGY: 3882800 3977.8310 20469.5237 14443.5315 257.3050 -203313.4949 2511.7973 0.0000 0.0000 52015.3505 -109638.1557 298.9329 -161653.5063 -109270.8033 299.0606 -100.2159 -67.7790 762810.2238 0.2175 0.2070 PRESSURE: 3883000 151.581 10.4847 7.27432 10.485 215.871 80.5668 7.27404 80.5674 -286.345 GPRESSURE: 3883000 180.812 -23.4264 -27.9501 -135.931 268.349 -6.46905 -27.0004 110.865 -280.312 PRESSAVG: 3883000 -9.00923 -79.4796 4.34343 -79.4796 2.82088 33.9856 4.3434 33.9856 2.69855 GPRESSAVG: 3883000 -10.3491 -77.1995 3.42637 -82.508 4.25061 32.2931 3.30974 36.729 2.14401 TIMING: 3883000 CPU: 12333.7, 0.00315021/step Wall: 12333.7, 0.00315021/step, 0.977439 hours remaining, 240.539062 MB of memory in use. ENERGY: 3883000 3931.4153 20370.0401 14448.8973 267.7148 -202949.1604 2451.2348 0.0000 0.0000 51923.9188 -109555.9394 298.4075 -161479.8582 -109191.3509 298.4717 27.0358 56.2830 761406.3623 -1.1633 -1.3182 PRESSURE: 3883200 151.786 -79.3817 217.207 -79.3809 535.92 -299.325 217.206 -299.325 3.01107 GPRESSURE: 3883200 170.368 -10.3632 227.791 9.33984 495.55 -311.163 345.303 -166.393 110.44 PRESSAVG: 3883200 -23.9277 -57.1566 21.5407 -57.1566 35.2032 11.3498 21.5406 11.3498 29.5266 GPRESSAVG: 3883200 -23.1178 -57.9255 22.1083 -56.9556 33.3344 13.2355 21.8532 10.4191 30.9655 TIMING: 3883200 CPU: 12334.4, 0.00315113/step Wall: 12334.4, 0.00315113/step, 0.977551 hours remaining, 240.539062 MB of memory in use. ENERGY: 3883200 4026.8838 20496.7130 14402.6491 244.0873 -203604.4906 2681.3677 0.0000 0.0000 51999.6076 -109753.1821 298.8425 -161752.7897 -109394.2703 298.8981 230.2389 258.7860 759934.6961 13.6007 13.7274 PRESSURE: 3883400 -201.582 -172.092 20.4766 -172.091 -328.269 42.2498 20.4762 42.2489 60.1931 GPRESSURE: 3883400 -316.047 -187.538 77.521 -196.28 -143.825 74.9337 32.1414 -53.5884 85.7291 PRESSAVG: 3883400 -22.8183 -56.7996 51.5413 -56.7995 35.4995 -3.31791 51.5413 -3.31789 1.27244 GPRESSAVG: 3883400 -23.0424 -57.0838 50.9142 -56.4883 36.3949 -2.64974 53.2843 -5.50235 0.934242 TIMING: 3883400 CPU: 12335, 0.0031507/step Wall: 12335, 0.0031507/step, 0.977241 hours remaining, 240.539062 MB of memory in use. ENERGY: 3883400 3996.6191 20514.8244 14418.4386 252.1732 -203392.7295 2640.7121 0.0000 0.0000 51547.4981 -110022.4640 296.2442 -161569.9621 -109680.9362 298.0469 -156.5526 -124.7141 761106.8230 4.6512 4.7622 PRESSURE: 3883600 -48.6308 -106.128 -149.908 -106.128 -53.7012 186.149 -149.908 186.148 52.5843 GPRESSURE: 3883600 20.3735 -35.9662 -68.9227 -64.7005 -70.0192 229.716 -209.23 44.1349 109.189 PRESSAVG: 3883600 -28.0349 -56.4884 -16.9139 -56.4884 37.4476 -28.5401 -16.9139 -28.5401 -35.9047 GPRESSAVG: 3883600 -27.9647 -56.6256 -15.7698 -54.5412 38.2704 -30.1177 -16.1325 -26.6291 -36.7312 TIMING: 3883600 CPU: 12335.6, 0.00313817/step Wall: 12335.6, 0.00313817/step, 0.973182 hours remaining, 240.539062 MB of memory in use. ENERGY: 3883600 4071.3886 20357.7411 14380.7630 245.0040 -203513.5775 2790.7443 0.0000 0.0000 51811.0230 -109856.9134 297.7587 -161667.9364 -109498.9558 298.0345 -16.5825 19.8479 760369.3048 -8.8307 -8.8085 PRESSURE: 3883800 -191.577 -146.539 66.2839 -146.539 1.1267 -108.666 66.2836 -108.667 -209.203 GPRESSURE: 3883800 -96.5077 -53.2079 192.907 -144.392 -9.26245 -144.641 35.1009 -144.242 -219.165 PRESSAVG: 3883800 -18.1125 -30.6589 6.05665 -30.6589 5.49716 -3.82744 6.05671 -3.82744 8.24548 GPRESSAVG: 3883800 -17.7395 -28.8936 6.93282 -31.9306 5.08492 -3.93953 4.74254 -4.61719 8.46437 TIMING: 3883800 CPU: 12336.3, 0.0031349/step Wall: 12336.3, 0.0031349/step, 0.971993 hours remaining, 240.539062 MB of memory in use. ENERGY: 3883800 4059.9671 20447.2242 14447.6810 240.0654 -202875.4351 2273.1050 0.0000 0.0000 51798.8952 -109608.4973 297.6890 -161407.3925 -109257.2967 298.8461 -133.2178 -108.3117 760958.9468 -1.4566 -1.3967 PRESSURE: 3884000 -350.216 61.9296 -7.05837 61.9303 -407.998 -138.052 -7.05842 -138.052 -377.308 GPRESSURE: 3884000 -331.932 -1.48997 1.00915 75.4929 -379.852 -46.059 -45.4413 -46.3237 -343.25 PRESSAVG: 3884000 -43.1467 -76.2889 48.2011 -76.2889 51.0619 -64.0988 48.2011 -64.0988 9.32205 GPRESSAVG: 3884000 -43.2413 -77.2232 47.8811 -75.0608 50.1296 -62.7785 47.5536 -65.241 9.7854 TIMING: 3884000 CPU: 12336.9, 0.00312066/step Wall: 12336.9, 0.00312066/step, 0.967404 hours remaining, 240.539062 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: 3884000 4022.2931 20387.2475 14446.2611 257.1966 -202910.2242 2136.0829 0.0000 0.0000 52108.1597 -109552.9833 299.4663 -161661.1430 -109184.7596 298.9607 -378.5073 -351.6780 761006.7367 5.7458 5.5579 PRESSURE: 3884200 293.756 -130.189 0.126588 -130.189 294.633 18.9855 0.127347 18.9863 192.041 GPRESSURE: 3884200 370.733 -117.804 -42.2564 -11.0337 225.862 90.0703 63.2906 8.38357 272.886 PRESSAVG: 3884200 42.2609 -40.1228 32.5191 -40.1228 -13.3654 3.47556 32.5192 3.47552 11.1998 GPRESSAVG: 3884200 42.0618 -40.091 31.6727 -39.443 -13.2411 1.82265 33.6311 4.19948 11.048 TIMING: 3884200 CPU: 12337.5, 0.00314514/step Wall: 12337.5, 0.00314514/step, 0.974817 hours remaining, 240.539062 MB of memory in use. ENERGY: 3884200 4062.3384 20514.7051 14459.3268 255.5844 -203123.6495 2432.7867 0.0000 0.0000 51887.5214 -109511.3868 298.1983 -161398.9081 -109158.0810 299.4087 260.1433 289.8272 760151.8574 13.3651 13.2895 LDB: ============= START OF LOAD BALANCING ============== 12350 LDB: ============== END OF LOAD BALANCING =============== 12350 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12350 LDB: ============= START OF LOAD BALANCING ============== 12350.3 LDB: Largest compute 7074 load 0.036950 is 18.9% of average load 0.195310 LDB: Average compute 0.004377 is 2.2% of average load 0.195310 LDB: TIME 12350.3 LOAD: AVG 0.19531 MAX 0.222359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.285 MB LDB: TIME 12350.3 LOAD: AVG 0.19531 MAX 0.222359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.324 MB LDB: TIME 12350.3 LOAD: AVG 0.19531 MAX 0.216598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.324 MB LDB: ============== END OF LOAD BALANCING =============== 12350.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12350.3 PRESSURE: 3884400 31.7873 -100.562 57.3983 -100.562 -14.01 193.994 57.3985 193.994 -198.36 GPRESSURE: 3884400 64.1823 7.8225 174.517 -52.4982 25.5183 128.362 100.315 171.612 -184.208 PRESSAVG: 3884400 -5.28648 -72.4237 -21.6186 -72.4237 -26.0419 11.8473 -21.6186 11.8473 16.9993 GPRESSAVG: 3884400 -5.58849 -73.7465 -20.2602 -73.1521 -24.9381 13.0054 -22.8231 10.4027 16.1346 TIMING: 3884400 CPU: 12338.1, 0.00319274/step Wall: 12338.1, 0.00319274/step, 0.989396 hours remaining, 240.796875 MB of memory in use. ENERGY: 3884400 4013.5956 20373.5319 14504.0467 234.5844 -202661.6466 2143.2417 0.0000 0.0000 51947.2978 -109445.3484 298.5418 -161392.6463 -109073.7595 299.3765 -60.1943 -31.5024 759316.1935 -4.7764 -4.7973 PRESSURE: 3884600 161.346 -186.859 6.36117 -186.859 -93.153 -11.1277 6.36092 -11.1288 191.942 GPRESSURE: 3884600 207.93 -117.326 6.64493 -92.0431 -72.5128 -5.65893 -167.95 4.33913 203.265 PRESSAVG: 3884600 13.3075 -51.298 0.302007 -51.298 5.4401 88.4564 0.301977 88.4564 -5.96559 GPRESSAVG: 3884600 13.3569 -50.7826 0.0455823 -51.7584 4.88253 86.5052 -1.39811 90.6189 -5.72611 TIMING: 3884600 CPU: 12338.8, 0.0031372/step Wall: 12338.8, 0.0031372/step, 0.972009 hours remaining, 241.000000 MB of memory in use. ENERGY: 3884600 3962.6716 20359.2537 14435.1623 233.8915 -203323.2180 2653.5139 0.0000 0.0000 51942.5035 -109736.2216 298.5143 -161678.7251 -109372.5627 298.8064 86.7117 112.8940 761227.8014 4.2607 4.1711 PRESSURE: 3884800 225.979 -177.407 -193.538 -177.406 0.249471 -72.4925 -193.539 -72.4925 293.309 GPRESSURE: 3884800 226.304 -227.022 -194.138 -141.49 154.95 18.1377 -61.6856 75.4285 240.701 PRESSAVG: 3884800 21.6818 -50.4683 -4.64671 -50.4683 35.9383 53.7243 -4.64666 53.7244 11.1492 GPRESSAVG: 3884800 21.4139 -52.2445 -5.27349 -49.828 36.0076 55.6555 -2.01017 52.3982 11.6783 TIMING: 3884800 CPU: 12339.4, 0.00312607/step Wall: 12339.4, 0.00312607/step, 0.968388 hours remaining, 241.000000 MB of memory in use. ENERGY: 3884800 3927.6216 20387.4142 14471.5694 239.7395 -203277.2651 2563.3998 0.0000 0.0000 51931.3415 -109756.1789 298.4501 -161687.5204 -109401.0584 298.7070 173.1791 207.3183 759161.9690 22.9231 23.0333 PRESSURE: 3885000 -78.8486 -26.4495 137.262 -26.449 40.3249 66.3388 137.262 66.3394 -13.6638 GPRESSURE: 3885000 79.7846 -77.4461 164.737 -45.8785 67.3181 146.599 178.327 103.495 -103.459 PRESSAVG: 3885000 21.8922 -48.0949 -16.4384 -48.0948 -83.3387 39.8612 -16.4384 39.8611 19.6591 GPRESSAVG: 3885000 23.0951 -48.1025 -16.2102 -48.2551 -83.5695 39.7656 -17.8266 41.1204 18.8574 TIMING: 3885000 CPU: 12340, 0.00313972/step Wall: 12340, 0.00313972/step, 0.972442 hours remaining, 241.000000 MB of memory in use. ENERGY: 3885000 3882.5662 20445.7163 14430.8603 241.2016 -203238.5912 2576.0910 0.0000 0.0000 52053.7655 -109608.3904 299.1537 -161662.1559 -109244.7724 298.9986 -17.3959 14.5480 759098.0194 -13.9291 -13.8723 PRESSURE: 3885200 1.11696 90.0926 94.9303 90.0936 436.41 -5.89419 94.9297 -5.89331 165.796 GPRESSURE: 3885200 12.7006 20.9948 70.8596 8.17015 471.829 34.8289 181.083 62.2029 197.982 PRESSAVG: 3885200 -4.37099 -25.7248 -8.2674 -25.7248 4.64213 49.1978 -8.26741 49.1978 12.9739 GPRESSAVG: 3885200 -5.80574 -25.5776 -9.66165 -25.2047 4.40204 49.4946 -5.47151 47.8706 14.4675 TIMING: 3885200 CPU: 12340.7, 0.00316896/step Wall: 12340.7, 0.00316896/step, 0.98132 hours remaining, 241.000000 MB of memory in use. ENERGY: 3885200 3963.9957 20476.4111 14380.3555 255.4896 -203444.6668 2623.1491 0.0000 0.0000 52201.9892 -109543.2766 300.0055 -161745.2657 -109180.2601 298.9095 201.1076 227.5040 760242.0256 4.4150 4.3546 PRESSURE: 3885400 -41.1157 -83.6067 59.6706 -83.6074 356.829 -162.317 59.6702 -162.317 -86.3613 GPRESSURE: 3885400 -7.00399 -22.2414 50.5025 -164.995 402.095 -126.718 12.1286 -143.599 -69.407 PRESSAVG: 3885400 12.3281 -39.9147 -12.9126 -39.9147 32.6871 14.6868 -12.9126 14.6867 1.50501 GPRESSAVG: 3885400 14.1367 -38.4524 -12.5454 -41.7263 32.2284 13.8313 -14.0589 16.6072 0.617627 TIMING: 3885400 CPU: 12341.3, 0.00313282/step Wall: 12341.3, 0.00313282/step, 0.969956 hours remaining, 241.000000 MB of memory in use. ENERGY: 3885400 3954.2851 20380.0119 14436.4271 243.6539 -203309.9122 2635.9187 0.0000 0.0000 52006.2967 -109653.3189 298.8809 -161659.6156 -109279.1099 299.0868 76.4508 108.5614 761142.5722 15.5068 15.6609 PRESSURE: 3885600 -44.5914 -111.882 -104.461 -111.881 -221.324 -197.764 -104.462 -197.764 -17.63 GPRESSURE: 3885600 -47.4761 -86.4704 -61.4271 -55.9519 -111.071 -209.13 -31.5969 -131.748 -37.3871 PRESSAVG: 3885600 7.04344 -24.6277 -61.2012 -24.6276 -34.0178 -42.1075 -61.2012 -42.1075 -17.5719 GPRESSAVG: 3885600 5.86195 -25.2431 -60.5501 -22.4359 -33.6 -42.5207 -61.6887 -42.2069 -17.1035 TIMING: 3885600 CPU: 12341.9, 0.00313148/step Wall: 12341.9, 0.00313148/step, 0.969369 hours remaining, 241.000000 MB of memory in use. ENERGY: 3885600 4014.4986 20437.6826 14338.9095 245.8036 -203281.9673 2558.8565 0.0000 0.0000 51974.5628 -109711.6537 298.6985 -161686.2165 -109352.9639 298.8723 -94.5151 -65.3115 761370.1794 -14.8488 -14.9472 PRESSURE: 3885800 24.5724 -5.54226 94.8625 -5.54201 -64.0349 -27.3489 94.8626 -27.3487 -410.584 GPRESSURE: 3885800 48.9392 -117.275 -9.01963 -60.7575 7.0669 28.3204 230.558 -3.81801 -415.631 PRESSAVG: 3885800 -47.3675 -22.7636 4.75822 -22.7636 22.5143 -33.6684 4.75818 -33.6685 36.8358 GPRESSAVG: 3885800 -47.5153 -24.9767 5.14092 -23.481 23.3031 -32.5921 7.42055 -33.9485 36.0644 TIMING: 3885800 CPU: 12342.5, 0.0031508/step Wall: 12342.5, 0.0031508/step, 0.975173 hours remaining, 241.000000 MB of memory in use. ENERGY: 3885800 3981.5468 20390.6114 14400.7183 231.0523 -203198.2428 2335.1251 0.0000 0.0000 52278.4790 -109580.7100 300.4451 -161859.1890 -109214.5808 299.1314 -150.0155 -119.8750 759761.6404 3.9942 3.9507 PRESSURE: 3886000 182.648 79.0021 -229.831 79.002 141.248 -101.259 -229.831 -101.259 -201.089 GPRESSURE: 3886000 287.377 195.961 -136.007 73.8963 41.307 -72.8338 -228.883 -114.924 -122.477 PRESSAVG: 3886000 13.1996 -6.11857 -7.52135 -6.11863 -35.9286 -18.8469 -7.52138 -18.8469 -20.465 GPRESSAVG: 3886000 13.8864 -4.04376 -7.66536 -6.2569 -37.3109 -19.9555 -11.0791 -19.2355 -19.702 TIMING: 3886000 CPU: 12343.2, 0.00315355/step Wall: 12343.2, 0.00315355/step, 0.975849 hours remaining, 241.000000 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: 3886000 3961.0823 20449.0059 14474.1387 248.2355 -203235.0347 2637.1315 0.0000 0.0000 51962.2830 -109503.1578 298.6280 -161465.4407 -109146.0390 299.2894 40.9358 68.7358 760850.4035 -14.3980 -14.3755 PRESSURE: 3886200 -80.3662 -6.91735 6.32083 -6.91711 -345.015 -183.845 6.32024 -183.846 31.7104 GPRESSURE: 3886200 -88.8846 14.7204 -109.536 -68.5423 -331.012 -160.143 123.19 -229.803 95.9024 PRESSAVG: 3886200 7.99081 22.207 -24.4403 22.207 -39.4966 -41.6097 -24.4403 -41.6097 8.22412 GPRESSAVG: 3886200 8.05699 22.926 -26.392 19.9751 -40.0172 -40.1647 -21.5741 -41.4323 8.77667 TIMING: 3886200 CPU: 12343.8, 0.00313836/step Wall: 12343.8, 0.00313836/step, 0.970974 hours remaining, 241.000000 MB of memory in use. ENERGY: 3886200 4081.8360 20566.2222 14436.4118 249.4866 -203607.8784 2696.6152 0.0000 0.0000 52245.9334 -109331.3731 300.2581 -161577.3065 -108958.4285 299.7938 -131.2237 -107.9980 761586.4154 -7.7606 -7.7278 PRESSURE: 3886400 32.4658 39.7503 -222.492 39.7508 -57.4888 -194.952 -222.492 -194.953 102.836 GPRESSURE: 3886400 73.9881 160.759 -195.189 79.0423 22.0471 -208.166 -58.6056 -281.479 73.6936 PRESSAVG: 3886400 19.5694 -26.6195 -55.7748 -26.6195 -29.523 -25.1213 -55.7748 -25.1213 -4.28349 GPRESSAVG: 3886400 19.2025 -26.6659 -53.3387 -25.5655 -27.7469 -26.3507 -56.8502 -26.2849 -5.30301 TIMING: 3886400 CPU: 12344.4, 0.00314303/step Wall: 12344.4, 0.00314303/step, 0.972242 hours remaining, 241.000000 MB of memory in use. ENERGY: 3886400 4041.3449 20697.4631 14546.5049 237.1302 -203113.2712 2365.8402 0.0000 0.0000 52064.0003 -109160.9877 299.2125 -161224.9880 -108797.2164 300.0842 25.9376 56.5763 760875.6847 -4.7457 -4.6158 PRESSURE: 3886600 394.863 -36.0473 210.561 -36.0485 99.6721 -16.4996 210.56 -16.5003 310.189 GPRESSURE: 3886600 293.067 -71.926 184.436 -44.0646 285.503 -2.40047 188.741 69.766 335.945 PRESSAVG: 3886600 46.9762 14.0602 -22.1344 14.0601 12.3317 -23.5289 -22.1344 -23.5289 -22.3948 GPRESSAVG: 3886600 46.4859 13.1143 -23.1249 15.0028 11.5846 -24.2638 -22.6811 -23.5349 -21.4602 TIMING: 3886600 CPU: 12345.1, 0.0031495/step Wall: 12345.1, 0.0031495/step, 0.97407 hours remaining, 241.000000 MB of memory in use. ENERGY: 3886600 3961.8577 20507.0626 14473.6404 256.7537 -203343.2522 2738.0470 0.0000 0.0000 52186.6483 -109219.2424 299.9174 -161405.8907 -108853.0828 300.2681 268.2412 304.8384 759355.6883 12.3044 12.2034 PRESSURE: 3886800 151.627 64.2574 -109.344 64.2574 -116.824 -216.163 -109.344 -216.163 -198.227 GPRESSURE: 3886800 163.231 111.094 -51.4708 152.709 -83.6083 -308.944 -117.293 -191.856 -148.485 PRESSAVG: 3886800 0.516775 16.4542 8.39762 16.4541 3.66724 13.0188 8.39764 13.0188 -2.47585 GPRESSAVG: 3886800 1.88187 18.3842 8.05318 15.2747 3.51045 14.9403 8.71552 14.2967 -3.98959 TIMING: 3886800 CPU: 12345.7, 0.00314473/step Wall: 12345.7, 0.00314473/step, 0.972421 hours remaining, 241.000000 MB of memory in use. ENERGY: 3886800 4051.8217 20456.4128 14366.4725 243.2093 -203247.7160 2707.4366 0.0000 0.0000 52205.9261 -109216.4370 300.0282 -161422.3631 -108848.5206 300.1421 -54.4746 -22.9539 762066.2313 0.5694 0.4676 PRESSURE: 3887000 -30.3671 -42.5002 140.786 -42.5001 -168.272 -9.51058 140.786 -9.51008 89.6271 GPRESSURE: 3887000 18.1027 -68.6044 229.858 -3.45634 -141.88 50.8314 6.06627 -58.9351 110.316 PRESSAVG: 3887000 46.2748 54.4035 62.7788 54.4034 -38.0132 -16.9191 62.7788 -16.9191 -7.13915 GPRESSAVG: 3887000 46.0299 54.0063 65.1027 54.7535 -38.6511 -16.0219 61.2052 -19.1446 -6.96123 TIMING: 3887000 CPU: 12346.3, 0.00315424/step Wall: 12346.3, 0.00315424/step, 0.975186 hours remaining, 241.000000 MB of memory in use. ENERGY: 3887000 3994.5521 20614.8029 14439.9982 246.4929 -203489.1120 2594.5807 0.0000 0.0000 52153.0825 -109445.6026 299.7245 -161598.6851 -109081.9335 299.8842 -36.3373 -4.4869 762416.2630 0.3741 0.1392 PRESSURE: 3887200 -43.2958 1.96539 -96.3606 1.96514 -414.522 89.7634 -96.3594 89.7632 110.257 GPRESSURE: 3887200 -15.2283 57.4586 -66.5099 -39.8166 -312.243 75.4909 -170.351 58.2424 62.2876 PRESSAVG: 3887200 17.2041 29.1071 -8.63258 29.1071 -11.7169 8.5648 -8.63258 8.56479 2.25538 GPRESSAVG: 3887200 16.5922 28.022 -8.92729 30.0255 -11.6701 7.49196 -8.40688 9.75395 2.44946 TIMING: 3887200 CPU: 12347, 0.00316054/step Wall: 12347, 0.00316054/step, 0.976959 hours remaining, 241.000000 MB of memory in use. ENERGY: 3887200 4036.0740 20585.0659 14382.8424 260.6657 -203542.0294 2653.9517 0.0000 0.0000 52131.2649 -109492.1649 299.5991 -161623.4298 -109128.5071 299.8701 -115.8537 -88.3945 761340.1956 2.5809 2.4572 PRESSURE: 3887400 -151.074 95.2559 48.9181 95.2552 57.132 19.6835 48.9188 19.6848 -124.711 GPRESSURE: 3887400 -10.3432 56.5707 5.92108 163.644 66.7899 37.5954 49.522 32.0845 -186.46 PRESSAVG: 3887400 -47.7668 -19.3311 -0.0483747 -19.3311 56.797 11.6538 -0.0483486 11.6539 18.1067 GPRESSAVG: 3887400 -46.6927 -19.9177 -2.42815 -18.2311 55.6978 13.2784 0.370731 11.617 18.0788 TIMING: 3887400 CPU: 12347.6, 0.00313793/step Wall: 12347.6, 0.00313793/step, 0.969794 hours remaining, 241.000000 MB of memory in use. ENERGY: 3887400 3999.1574 20473.0802 14432.3046 251.0738 -203358.8124 2537.8979 0.0000 0.0000 52113.6830 -109551.6153 299.4981 -161665.2984 -109184.8167 299.1219 -72.8844 -43.3377 760762.1613 9.0456 9.0280 PRESSURE: 3887600 -37.7903 -123.601 5.07218 -123.602 -47.9909 -241.979 5.07266 -241.981 -84.0233 GPRESSURE: 3887600 -5.42866 -50.6714 81.5155 8.07883 -52.4839 -255.864 6.54914 -283.231 -11.3109 PRESSAVG: 3887600 62.3719 13.2187 9.63638 13.2187 -36.4587 4.31422 9.63637 4.31415 -2.17512 GPRESSAVG: 3887600 60.2153 15.0331 11.149 11.3657 -34.638 3.01558 10.0836 3.28699 -1.73504 TIMING: 3887600 CPU: 12348.2, 0.00314372/step Wall: 12348.2, 0.00314372/step, 0.971411 hours remaining, 241.000000 MB of memory in use. ENERGY: 3887600 4040.3571 20622.4288 14389.6356 224.7820 -203700.5299 2571.7208 0.0000 0.0000 52195.9395 -109655.6661 299.9708 -161851.6055 -109285.2218 299.1196 -56.6015 -23.0745 760981.7886 7.9127 7.9474 PRESSURE: 3887800 38.6145 124.253 39.5716 124.252 285.394 -39.1321 39.5723 -39.1312 145.613 GPRESSURE: 3887800 134.537 157.067 21.7633 87.6509 304.959 -124.443 11.9761 -42.3262 114.108 PRESSAVG: 3887800 -55.7231 1.84769 -3.04542 1.84775 58.3073 -6.02366 -3.04549 -6.02368 13.3683 GPRESSAVG: 3887800 -55.507 -0.233141 -4.12485 2.13546 57.8919 -5.65309 -1.8364 -5.97415 13.5225 TIMING: 3887800 CPU: 12348.8, 0.00317903/step Wall: 12348.8, 0.00317903/step, 0.982143 hours remaining, 241.000000 MB of memory in use. ENERGY: 3887800 3907.0867 20627.9636 14466.4707 252.6551 -203468.6978 2384.4337 0.0000 0.0000 52158.2505 -109671.8373 299.7542 -161830.0878 -109318.8130 299.0584 156.5404 184.5344 760324.4623 5.3175 5.3025 PRESSURE: 3888000 102.725 -35.8283 -77.2209 -35.8287 86.9727 -93.758 -77.2211 -93.7582 -186.742 GPRESSURE: 3888000 26.8109 -66.0241 -90.4588 -76.1789 172.953 -116.794 -78.6456 61.1803 -99.197 PRESSAVG: 3888000 23.3587 -2.7211 -47.3177 -2.72105 3.54431 13.6922 -47.3177 13.6922 -10.2084 GPRESSAVG: 3888000 23.7619 -0.915958 -46.6832 -3.49285 3.48339 12.4807 -49.6324 15.3551 -10.6285 TIMING: 3888000 CPU: 12349.5, 0.00313473/step Wall: 12349.5, 0.00313473/step, 0.968283 hours remaining, 241.000000 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: 3888000 4020.8386 20574.1513 14449.4515 235.3250 -203437.1503 2546.3311 0.0000 0.0000 52035.6269 -109575.4260 299.0495 -161611.0528 -109213.2333 298.8598 0.9852 33.5222 760704.9376 5.5649 5.5389 PRESSURE: 3888200 -107.337 -83.6372 96.9642 -83.6371 -163.376 66.3636 96.9635 66.3638 41.805 GPRESSURE: 3888200 -5.88614 -114.922 65.2173 -25.4699 -149.659 34.9317 66.1304 -31.6519 27.4327 PRESSAVG: 3888200 21.7361 26.0412 -33.9359 26.0412 2.45566 23.173 -33.9359 23.173 15.8827 GPRESSAVG: 3888200 21.27 25.0556 -34.4461 26.2603 1.84369 22.9335 -31.7115 23.7022 16.4098 TIMING: 3888200 CPU: 12350.1, 0.00317378/step Wall: 12350.1, 0.00317378/step, 0.980168 hours remaining, 241.000000 MB of memory in use. ENERGY: 3888200 4016.3921 20617.5997 14417.1441 236.1218 -203207.3830 2441.9748 0.0000 0.0000 52081.0778 -109397.0727 299.3107 -161478.1505 -109036.7014 299.5973 -76.3026 -42.7040 761141.5501 13.3582 13.1745 LDB: ============= START OF LOAD BALANCING ============== 12362.6 LDB: ============== END OF LOAD BALANCING =============== 12362.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12362.6 LDB: ============= START OF LOAD BALANCING ============== 12362.9 LDB: Largest compute 7075 load 0.036183 is 18.5% of average load 0.195403 LDB: Average compute 0.004382 is 2.2% of average load 0.195403 LDB: TIME 12362.9 LOAD: AVG 0.195403 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.844 MB LDB: TIME 12362.9 LOAD: AVG 0.195403 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.848 MB LDB: TIME 12362.9 LOAD: AVG 0.195403 MAX 0.215799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.848 MB LDB: ============== END OF LOAD BALANCING =============== 12362.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12362.9 PRESSURE: 3888400 -70.2743 112.195 -24.0535 112.196 -146.233 155.397 -24.0539 155.397 -591.877 GPRESSURE: 3888400 15.9501 142.264 -49.5441 64.7142 -95.0859 79.0582 -22.5203 225.134 -638.299 PRESSAVG: 3888400 67.7661 2.72724 -2.28327 2.72726 -66.5434 6.1207 -2.28331 6.12077 3.87086 GPRESSAVG: 3888400 68.0147 1.99443 -0.653794 1.00443 -66.3493 7.83301 -4.22533 6.16611 3.733 TIMING: 3888400 CPU: 12350.7, 0.00320761/step Wall: 12350.7, 0.00320761/step, 0.990439 hours remaining, 240.539062 MB of memory in use. ENERGY: 3888400 3981.3996 20595.7812 14438.9676 239.4827 -203350.3845 2415.7679 0.0000 0.0000 52424.4625 -109254.5230 301.2841 -161678.9855 -108899.1068 299.6541 -269.4614 -239.1449 761839.7240 1.6979 1.7995 PRESSURE: 3888600 -357.162 -112.343 12.6834 -112.342 248.977 20.6248 12.6829 20.624 -92.799 GPRESSURE: 3888600 -286.39 -192.884 -47.5807 93.8431 168.523 -62.5725 63.227 -48.2053 -1.8749 PRESSAVG: 3888600 -39.5499 2.15317 -47.6388 2.15321 -4.98483 24.5644 -47.6388 24.5644 1.21012 GPRESSAVG: 3888600 -39.1033 2.73445 -49.7736 5.66504 -4.2561 23.3958 -43.4768 24.9863 -0.0548696 TIMING: 3888600 CPU: 12351.4, 0.0031491/step Wall: 12351.4, 0.0031491/step, 0.972197 hours remaining, 240.742188 MB of memory in use. ENERGY: 3888600 3974.1139 20652.8065 14402.0473 244.4947 -202981.6227 2414.8114 0.0000 0.0000 52209.1061 -109084.2430 300.0465 -161293.3490 -108726.8305 300.3632 -66.9947 -39.9138 762534.7321 -14.4415 -14.4714 PRESSURE: 3888800 -29.9245 -108.905 -120.901 -108.904 267.231 36.4731 -120.9 36.4731 78.3839 GPRESSURE: 3888800 55.2303 -149.892 -134.518 -69.8699 213.862 108.434 -209.061 47.3686 111.693 PRESSAVG: 3888800 -17.8401 -38.6057 -23.608 -38.6057 -50.254 22.0216 -23.608 22.0217 -7.12471 GPRESSAVG: 3888800 -18.0658 -39.424 -22.748 -40.1643 -50.9462 22.2672 -26.4255 21.1744 -5.96898 TIMING: 3888800 CPU: 12352, 0.00316057/step Wall: 12352, 0.00316057/step, 0.975563 hours remaining, 240.742188 MB of memory in use. ENERGY: 3888800 3884.4795 20725.8835 14454.7201 232.3039 -203303.8086 2655.2049 0.0000 0.0000 52516.5106 -108834.7061 301.8131 -161351.2167 -108466.1067 300.3256 105.2301 126.9283 762797.9294 -25.0729 -24.9936 PRESSURE: 3889000 1.9067 -197.124 -7.60678 -197.124 79.4385 -325.218 -7.6072 -325.22 -207.033 GPRESSURE: 3889000 88.3151 -300.975 65.33 -25.2611 97.4605 -253.649 -118.072 -224.776 -194.389 PRESSAVG: 3889000 10.3709 4.03302 -9.38432 4.03312 37.9606 -1.076 -9.38433 -1.07591 -1.89104 GPRESSAVG: 3889000 9.57464 4.63791 -9.79979 5.62783 39.2797 -1.92312 -10.6267 0.395374 -2.1645 TIMING: 3889000 CPU: 12352.6, 0.00316072/step Wall: 12352.6, 0.00316072/step, 0.975433 hours remaining, 240.742188 MB of memory in use. ENERGY: 3889000 3975.2310 20476.1698 14505.4872 254.4333 -203608.6920 2733.1200 0.0000 0.0000 52478.4293 -109185.8215 301.5943 -161664.2508 -108812.2543 300.3300 -41.8961 -2.8713 759800.6740 15.4802 15.5633 PRESSURE: 3889200 171.584 -54.7308 -160.696 -54.7311 348.47 -57.4971 -160.697 -57.4968 136.711 GPRESSURE: 3889200 222.617 -36.1774 -136.599 -53.2211 324.409 21.9366 -87.9487 -83.7999 198.24 PRESSAVG: 3889200 -7.89203 -15.4528 -9.86596 -15.4528 -7.78438 -45.326 -9.86597 -45.326 -11.906 GPRESSAVG: 3889200 -6.97797 -16.5078 -10.1126 -16.597 -8.89962 -43.9972 -5.04234 -46.4361 -11.3209 TIMING: 3889200 CPU: 12353.3, 0.00316254/step Wall: 12353.3, 0.00316254/step, 0.97582 hours remaining, 240.742188 MB of memory in use. ENERGY: 3889200 3963.9245 20589.1638 14465.6020 271.7129 -203098.1831 2396.8896 0.0000 0.0000 52289.3632 -109121.5272 300.5077 -161410.8904 -108762.3879 300.2578 218.9220 248.4222 760669.3222 -9.1941 -9.0662 PRESSURE: 3889400 -9.16843 77.1159 -64.6475 77.1167 252.673 235.975 -64.6475 235.975 231.401 GPRESSURE: 3889400 33.3877 104.9 -69.3248 72.3475 255.255 196.582 6.2852 234.123 282.238 PRESSAVG: 3889400 -51.3731 -23.3307 3.64704 -23.3306 54.3681 -19.4436 3.64708 -19.4435 19.9794 GPRESSAVG: 3889400 -50.1815 -20.8566 5.94953 -23.9599 54.3916 -22.548 0.370482 -17.8657 18.8945 TIMING: 3889400 CPU: 12353.9, 0.00315464/step Wall: 12353.9, 0.00315465/step, 0.973208 hours remaining, 240.742188 MB of memory in use. ENERGY: 3889400 4037.2728 20690.8702 14445.1884 264.3811 -203113.4772 2468.0463 0.0000 0.0000 52205.1099 -109002.6084 300.0235 -161207.7183 -108639.9809 300.3868 158.3019 190.2936 761033.9875 7.6581 7.7015 PRESSURE: 3889600 -311.065 99.1342 15.0985 99.1344 -132.127 16.1851 15.0987 16.1851 93.6362 GPRESSURE: 3889600 -359.756 -7.52541 28.8803 43.2656 -51.0022 33.5157 -125.778 35.4582 130.914 PRESSAVG: 3889600 -0.0394135 -29.0223 -40.0162 -29.0222 41.105 52.7214 -40.0162 52.7215 -0.98555 GPRESSAVG: 3889600 -2.77431 -30.5099 -39.9243 -28.8757 42.2062 55.1729 -40.0805 50.7705 -0.533766 TIMING: 3889600 CPU: 12354.5, 0.00314481/step Wall: 12354.5, 0.00314481/step, 0.969998 hours remaining, 240.742188 MB of memory in use. ENERGY: 3889600 4036.2875 20764.3314 14440.9466 254.3893 -203473.4744 2412.4123 0.0000 0.0000 52586.3278 -108978.7795 302.2143 -161565.1072 -108617.7620 300.5391 -116.5187 -93.2815 760973.1486 13.3600 12.9661 PRESSURE: 3889800 214.376 -87.0588 203.128 -87.059 -275.637 56.7395 203.128 56.7394 -566.927 GPRESSURE: 3889800 205.311 -130.703 175.788 -125.863 -285.887 73.1992 172.047 49.3229 -478.941 PRESSAVG: 3889800 44.9612 -3.42877 27.9832 -3.42874 -46.4772 15.0341 27.9833 15.0342 9.88376 GPRESSAVG: 3889800 46.6191 -2.67444 26.4184 -3.05315 -47.6794 13.4152 27.629 16.8406 9.62277 TIMING: 3889800 CPU: 12355.2, 0.00317008/step Wall: 12355.2, 0.00317008/step, 0.977619 hours remaining, 240.742188 MB of memory in use. ENERGY: 3889800 4091.2865 20627.9096 14440.5643 247.6538 -203031.1422 2433.4375 0.0000 0.0000 52142.3666 -109047.9239 299.6629 -161190.2905 -108684.7179 300.4244 -209.3960 -186.5055 762892.1901 2.7893 2.8542 PRESSURE: 3890000 125.259 -57.3165 87.0078 -57.317 -428.835 -226.125 87.0072 -226.127 88.3206 GPRESSURE: 3890000 65.1219 -152.994 112.964 35.4985 -330.485 -239.72 50.1591 -219.352 126.203 PRESSAVG: 3890000 6.29657 34.1116 -37.9716 34.1117 -23.3561 -11.9572 -37.9716 -11.9572 -17.2233 GPRESSAVG: 3890000 5.71929 34.1795 -37.2524 33.4696 -22.5326 -11.4053 -38.9503 -12.8786 -17.8227 TIMING: 3890000 CPU: 12355.8, 0.00314322/step Wall: 12355.8, 0.00314322/step, 0.969159 hours remaining, 240.742188 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: 3890000 4053.0156 20605.8310 14441.4717 242.2842 -203228.5046 2575.1838 0.0000 0.0000 52272.5845 -109038.1338 300.4113 -161310.7183 -108675.1880 300.1560 -71.7520 -46.3864 760641.0050 -11.4276 -11.5453 PRESSURE: 3890200 -22.754 68.2981 50.8825 68.2987 -441.894 131.706 50.882 131.704 79.7725 GPRESSURE: 3890200 18.386 0.657502 109.075 62.837 -431.47 112.909 99.1452 70.3402 112.341 PRESSAVG: 3890200 20.012 -2.86158 19.9982 -2.86154 -4.38272 -17.906 19.9982 -17.9059 -13.9697 GPRESSAVG: 3890200 20.082 -3.80027 21.9203 -1.97065 -5.23076 -17.6304 20.0794 -15.3373 -13.2097 TIMING: 3890200 CPU: 12356.4, 0.0031498/step Wall: 12356.4, 0.0031498/step, 0.971012 hours remaining, 240.742188 MB of memory in use. ENERGY: 3890200 4004.6160 20663.4325 14383.8685 257.7989 -203450.3379 2645.2247 0.0000 0.0000 52495.6630 -108999.7342 301.6933 -161495.3972 -108637.6009 301.0471 -128.2917 -100.2476 761611.6541 0.5532 0.5472 PRESSURE: 3890400 182.494 109.598 -9.8135 109.597 299.859 -6.50054 -9.81279 -6.50038 -96.1968 GPRESSURE: 3890400 188.171 90.7624 -50.1527 35.6376 268.67 50.9586 100.144 -88.6007 3.15027 PRESSAVG: 3890400 13.2456 35.6172 -2.18236 35.6172 -17.9412 44.0134 -2.18234 44.0134 -4.9517 GPRESSAVG: 3890400 12.9262 34.0555 -2.60587 35.2404 -17.7299 45.1247 -0.962852 41.1476 -4.99327 TIMING: 3890400 CPU: 12357.1, 0.00316838/step Wall: 12357.1, 0.00316838/step, 0.976565 hours remaining, 240.742188 MB of memory in use. ENERGY: 3890400 3884.3167 20737.6421 14487.0068 263.4780 -203258.1408 2516.8892 0.0000 0.0000 52254.1295 -109114.6785 300.3052 -161368.8079 -108750.0063 300.3591 128.7186 153.3306 761779.4445 -3.2158 -3.2657 PRESSURE: 3890600 29.1787 0.929852 28.9684 0.92927 23.6677 135.24 28.969 135.239 426.761 GPRESSURE: 3890600 90.9971 -60.3151 32.2906 46.5431 88.2987 71.194 108.087 170.808 370.458 PRESSAVG: 3890600 15.0341 32.1979 -31.4174 32.198 -21.7964 63.7284 -31.4174 63.7283 -8.92242 GPRESSAVG: 3890600 15.0154 32.9996 -31.869 31.6918 -21.1521 61.7813 -33.1743 66.1009 -9.77371 TIMING: 3890600 CPU: 12357.7, 0.00313849/step Wall: 12357.7, 0.00313849/step, 0.967177 hours remaining, 240.742188 MB of memory in use. ENERGY: 3890600 3902.5152 20609.7172 14397.9045 247.3253 -203512.8984 2655.8899 0.0000 0.0000 52287.8248 -109411.7215 300.4988 -161699.5462 -109040.1162 299.9194 159.8692 183.2514 762290.5710 -5.2282 -5.3035 PRESSURE: 3890800 -235.167 33.2307 -198.534 33.2307 42.9813 152.393 -198.535 152.394 282.685 GPRESSURE: 3890800 -199.941 22.3957 -153.432 8.77877 98.5854 193.763 -119.156 157.596 282.87 PRESSAVG: 3890800 -3.01504 8.67859 -39.807 8.67859 5.24373 14.9734 -39.807 14.9734 8.93777 GPRESSAVG: 3890800 -2.10177 9.6373 -40.7273 7.60677 2.89394 17.6969 -38.063 10.8454 9.95024 TIMING: 3890800 CPU: 12358.3, 0.00314293/step Wall: 12358.3, 0.00314293/step, 0.968372 hours remaining, 240.742188 MB of memory in use. ENERGY: 3890800 4043.7279 20416.4288 14459.9296 249.4261 -203415.3658 2671.3600 0.0000 0.0000 52309.5539 -109264.9394 300.6237 -161574.4933 -108893.2449 300.1118 30.1663 60.5048 761175.0669 3.7222 3.5808 PRESSURE: 3891000 -427.305 -48.3567 350.866 -48.3568 -46.2982 1.896 350.865 1.89499 -27.805 GPRESSURE: 3891000 -456.423 -71.3103 332.838 -58.8495 29.698 -139.064 320.743 98.4891 16.6276 PRESSAVG: 3891000 23.9555 -7.29727 -38.7847 -7.29727 -16.1817 69.2304 -38.7846 69.2304 9.86623 GPRESSAVG: 3891000 22.4864 -6.75721 -38.7113 -8.11999 -12.7682 67.2671 -38.6062 71.7335 9.07344 TIMING: 3891000 CPU: 12358.9, 0.00313527/step Wall: 12358.9, 0.00313526/step, 0.965836 hours remaining, 240.742188 MB of memory in use. ENERGY: 3891000 4002.2108 20579.2589 14402.6207 259.4228 -203226.1338 2443.7453 0.0000 0.0000 52229.5653 -109309.3101 300.1640 -161538.8754 -108953.3083 299.8461 -167.1361 -136.6992 762611.4003 5.8800 6.2639 PRESSURE: 3891200 -151.877 -220.456 -103.639 -220.456 -372.967 98.0203 -103.64 98.0194 86.438 GPRESSURE: 3891200 -112.575 -208.672 -12.6098 -99.717 -280.829 141.606 -83.0799 37.8582 30.3626 PRESSAVG: 3891200 37.256 -0.204004 13.8636 -0.204014 7.89851 -15.2172 13.8636 -15.2173 42.8995 GPRESSAVG: 3891200 37.8575 -0.738948 16.3519 1.80109 6.14975 -14.429 11.9096 -14.9493 44.1042 TIMING: 3891200 CPU: 12359.6, 0.00313951/step Wall: 12359.6, 0.00313951/step, 0.966969 hours remaining, 240.742188 MB of memory in use. ENERGY: 3891200 3989.3542 20472.2472 14482.4770 254.7186 -203360.3357 2607.8436 0.0000 0.0000 51956.6754 -109597.0196 298.5957 -161553.6950 -109230.7251 299.7978 -146.1352 -121.0138 763699.5319 29.3513 29.3705 PRESSURE: 3891400 200.163 -43.2811 -121.664 -43.2809 186.197 127.689 -121.664 127.688 -94.2706 GPRESSURE: 3891400 241.1 -81.4023 -107.099 -9.89161 61.6327 24.017 -256.553 47.4335 60.0524 PRESSAVG: 3891400 39.2408 -9.6861 -62.0052 -9.68615 -41.7179 9.72459 -62.0052 9.72449 26.5788 GPRESSAVG: 3891400 39.5333 -11.627 -63.2525 -9.55862 -42.0266 9.48869 -61.3095 8.62282 26.4104 TIMING: 3891400 CPU: 12360.2, 0.00316534/step Wall: 12360.2, 0.00316534/step, 0.974749 hours remaining, 240.742188 MB of memory in use. ENERGY: 3891400 3976.8367 20584.0384 14366.3700 242.7614 -203431.3896 2514.3709 0.0000 0.0000 52223.0001 -109524.0121 300.1263 -161747.0123 -109164.8226 299.3528 97.3631 120.9282 761071.5480 8.0339 7.9724 PRESSURE: 3891600 -90.2921 116.807 -346.556 116.808 48.1157 -46.5935 -346.556 -46.5935 98.7612 GPRESSURE: 3891600 26.6341 -10.137 -357.641 108.345 49.7892 -8.60325 -276.414 112.466 72.8829 PRESSAVG: 3891600 34.1158 -4.87824 -26.5667 -4.87821 -50.3849 14.1614 -26.5667 14.1615 -16.3378 GPRESSAVG: 3891600 35.2974 -3.63235 -28.095 -5.68343 -51.4004 14.5503 -26.0738 14.1233 -16.6133 TIMING: 3891600 CPU: 12360.8, 0.00316025/step Wall: 12360.8, 0.00316025/step, 0.973007 hours remaining, 240.742188 MB of memory in use. ENERGY: 3891600 3960.3677 20541.6733 14446.2988 240.3291 -203466.9414 2810.4443 0.0000 0.0000 51826.2472 -109641.5811 297.8462 -161467.8283 -109285.5997 299.6160 18.8616 49.7687 760464.0630 -10.8689 -10.9055 PRESSURE: 3891800 -7.83345 202.099 -11.4214 202.099 21.3797 16.9844 -11.4214 16.9834 -211.633 GPRESSURE: 3891800 -72.9615 175.238 -32.5421 63.9686 94.0281 79.054 34.1254 -3.21578 -139.952 PRESSAVG: 3891800 3.40542 -14.0177 7.75449 -14.0177 9.65614 -15.8885 7.75452 -15.8885 -8.90977 GPRESSAVG: 3891800 2.71478 -13.9971 7.97887 -14.4609 11.9738 -16.7932 8.08724 -13.521 -10.6241 TIMING: 3891800 CPU: 12361.5, 0.00315485/step Wall: 12361.5, 0.00315485/step, 0.971168 hours remaining, 240.742188 MB of memory in use. ENERGY: 3891800 3992.4626 20591.3831 14398.4252 254.0907 -203565.5741 2515.1904 0.0000 0.0000 52032.3312 -109781.6910 299.0305 -161814.0221 -109427.5177 298.9852 -66.0288 -39.6284 761477.2836 1.3839 1.3548 PRESSURE: 3892000 80.464 -190.691 -190.618 -190.69 150.103 66.6059 -190.618 66.6066 140.493 GPRESSURE: 3892000 179.148 -177.762 -175.344 -60.422 102.894 30.8825 -200.378 71.7188 188.051 PRESSAVG: 3892000 46.379 -54.9498 -37.9444 -54.9498 -41.3261 -21.0634 -37.9443 -21.0635 2.87295 GPRESSAVG: 3892000 45.7926 -53.0759 -37.5381 -54.9371 -42.07 -20.833 -38.6959 -21.2019 3.58922 TIMING: 3892000 CPU: 12362.1, 0.00315163/step Wall: 12362.1, 0.00315163/step, 0.970002 hours remaining, 240.742188 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: 3892000 3981.0055 20609.2633 14409.4538 246.2303 -203615.5729 2654.2042 0.0000 0.0000 52066.9121 -109648.5037 299.2293 -161715.4158 -109295.6640 299.1755 123.6868 156.6979 761441.7042 2.6420 2.4373 PRESSURE: 3892200 -163.531 48.4668 43.1388 48.4674 162.86 217.99 43.1389 217.99 55.0663 GPRESSURE: 3892200 -123.863 -7.08163 76.2197 76.2697 239.03 108.692 163.863 183.987 18.9458 PRESSAVG: 3892200 48.9444 -66.9504 30.5909 -66.9505 -34.4166 -23.6102 30.5909 -23.6103 5.75664 GPRESSAVG: 3892200 48.9387 -66.9408 30.9204 -66.9596 -33.5871 -25.5994 31.4429 -23.2296 4.96083 TIMING: 3892200 CPU: 12362.7, 0.00315558/step Wall: 12362.7, 0.00315558/step, 0.971041 hours remaining, 240.742188 MB of memory in use. ENERGY: 3892200 3990.1169 20737.8748 14410.1425 256.8539 -203748.8457 2674.4497 0.0000 0.0000 52066.1056 -109613.3024 299.2246 -161679.4080 -109247.8369 299.1944 18.1318 44.7043 760896.0120 6.7615 6.7708 LDB: ============= START OF LOAD BALANCING ============== 12375.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12375.2 LDB: =============== DONE WITH MIGRATION ================ 12375.2 LDB: ============= START OF LOAD BALANCING ============== 12375.5 LDB: Largest compute 7075 load 0.036302 is 18.6% of average load 0.195335 LDB: Average compute 0.004386 is 2.2% of average load 0.195335 LDB: TIME 12375.5 LOAD: AVG 0.195335 MAX 0.2161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.027 MB LDB: TIME 12375.5 LOAD: AVG 0.195335 MAX 0.2161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: TIME 12375.5 LOAD: AVG 0.195335 MAX 0.2161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: ============== END OF LOAD BALANCING =============== 12375.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12375.5 PRESSURE: 3892400 -42.1131 13.9709 71.2053 13.9695 -33.9146 45.7616 71.2049 45.7612 -402.386 GPRESSURE: 3892400 -90.827 65.9707 28.716 43.9626 56.0954 13.5379 54.0661 48.6291 -362.149 PRESSAVG: 3892400 26.4499 -14.0297 30.2351 -14.0298 14.0136 -27.1854 30.235 -27.1855 4.21157 GPRESSAVG: 3892400 25.5963 -16.4828 29.9328 -12.7331 14.0429 -25.4513 29.0407 -30.9509 4.69484 TIMING: 3892400 CPU: 12363.4, 0.0032215/step Wall: 12363.4, 0.0032215/step, 0.991147 hours remaining, 240.285156 MB of memory in use. ENERGY: 3892400 4012.4047 20524.9876 14429.8028 235.7167 -203398.6131 2486.0461 0.0000 0.0000 52275.1549 -109434.5003 300.4260 -161709.6552 -109073.4521 299.6511 -159.4711 -132.2936 760912.5427 14.8917 14.7780 PRESSURE: 3892600 85.4626 47.4178 109.83 47.4173 -230.387 -205.812 109.83 -205.813 -197.474 GPRESSURE: 3892600 22.9438 -4.69376 72.8704 -44.3077 -165.014 -231.115 92.4205 -125.608 -113.561 PRESSAVG: 3892600 23.6337 -85.8553 12.7263 -85.8553 2.76568 -22.8415 12.7263 -22.8415 -15.5027 GPRESSAVG: 3892600 24.425 -85.8639 14.7528 -86.1747 1.77959 -22.5332 12.7371 -18.6397 -15.645 TIMING: 3892600 CPU: 12364, 0.00313795/step Wall: 12364, 0.00313795/step, 0.96527 hours remaining, 240.351562 MB of memory in use. ENERGY: 3892600 4040.2325 20651.7406 14321.1448 247.6065 -203416.0197 2649.2991 0.0000 0.0000 52188.3271 -109317.6692 299.9270 -161505.9962 -108956.9918 300.2069 -114.1329 -85.2105 760615.5345 3.6322 3.5199 PRESSURE: 3892800 20.1768 -243.595 15.6286 -243.594 25.2736 124.173 15.6286 124.173 261.543 GPRESSURE: 3892800 67.3044 -150.978 109.244 -179.471 1.71323 154.909 33.2046 53.9034 335.576 PRESSAVG: 3892800 59.6242 -33.3636 4.91022 -33.3636 -29.9395 -24.7744 4.91015 -24.7744 8.8058 GPRESSAVG: 3892800 59.4183 -30.2577 2.60743 -33.6391 -30.1493 -23.8886 6.76874 -28.2085 9.05139 TIMING: 3892800 CPU: 12364.6, 0.00312593/step Wall: 12364.6, 0.00312593/step, 0.961397 hours remaining, 240.351562 MB of memory in use. ENERGY: 3892800 3979.6638 20700.8551 14430.7991 238.6192 -203891.9543 2953.1768 0.0000 0.0000 52326.8247 -109262.0155 300.7230 -161588.8403 -108903.4016 300.5141 102.3312 134.8645 760808.6837 12.8302 12.7735 PRESSURE: 3893000 -173.37 192.278 -18.6212 192.278 -309.051 -122.748 -18.6224 -122.747 -102.784 GPRESSURE: 3893000 -229.74 211.599 -57.7472 172.833 -173.346 -104.318 -32.3554 -104.267 -87.9207 PRESSAVG: 3893000 82.3466 -56.8772 -35.7716 -56.8772 -42.189 -28.4994 -35.7717 -28.4994 -31.0973 GPRESSAVG: 3893000 81.7951 -58.1177 -36.1023 -57.1955 -40.0921 -29.3092 -35.8963 -27.4647 -31.9865 TIMING: 3893000 CPU: 12365.3, 0.00314265/step Wall: 12365.3, 0.00314265/step, 0.966364 hours remaining, 240.351562 MB of memory in use. ENERGY: 3893000 4026.3524 20543.2934 14466.5558 239.3429 -202961.6570 2226.9704 0.0000 0.0000 52237.1515 -109221.9906 300.2076 -161459.1421 -108859.4713 300.1440 -195.0684 -163.6689 762199.4676 3.0201 3.2389 PRESSURE: 3893200 95.3018 -17.4242 191.437 -17.4248 -98.3296 -70.3189 191.437 -70.3182 88.4043 GPRESSURE: 3893200 105.617 95.4803 237.741 15.0087 -32.8429 -0.0224142 122.196 -35.3126 111.308 PRESSAVG: 3893200 26.509 -13.3786 -49.2849 -13.3786 -39.5867 16.1332 -49.2848 16.1333 6.76176 GPRESSAVG: 3893200 27.366 -12.6671 -48.9317 -14.1954 -40.7045 17.1165 -48.1909 15.3214 6.77743 TIMING: 3893200 CPU: 12365.9, 0.00314036/step Wall: 12365.9, 0.00314036/step, 0.965485 hours remaining, 240.351562 MB of memory in use. ENERGY: 3893200 3973.1373 20648.8686 14401.7560 248.0810 -203529.5217 2675.2088 0.0000 0.0000 52109.5903 -109472.8797 299.4745 -161582.4700 -109115.1732 299.9254 28.4588 61.3606 761011.7821 -2.1053 -2.1870 PRESSURE: 3893400 -243.404 -3.57792 219.743 -3.57784 303.165 111.411 219.743 111.411 -7.56976 GPRESSURE: 3893400 -174.871 -126.135 264.366 -60.6738 284.129 59.3899 230.089 138.907 31.4233 PRESSAVG: 3893400 21.8551 -22.26 4.54505 -22.26 -61.7534 6.27927 4.54509 6.27928 -14.3318 GPRESSAVG: 3893400 20.5997 -22.768 4.73971 -21.5926 -61.4513 4.61972 3.4782 8.00564 -13.1175 TIMING: 3893400 CPU: 12366.5, 0.00312709/step Wall: 12366.5, 0.00312709/step, 0.961233 hours remaining, 240.351562 MB of memory in use. ENERGY: 3893400 4034.7797 20536.3182 14385.2983 260.3451 -202989.9882 2284.2207 0.0000 0.0000 51970.7627 -109518.2635 298.6767 -161489.0262 -109155.1861 299.3763 17.3970 46.8938 761664.2523 -18.0767 -17.9897 PRESSURE: 3893600 -59.1018 10.5182 290.093 10.5187 266.601 -103.261 290.093 -103.262 -55.7889 GPRESSURE: 3893600 79.3736 63.7675 264.108 -56.9175 171.894 -90.8444 195.354 -253.087 -30.4593 PRESSAVG: 3893600 68.4582 -13.9077 -3.69793 -13.9077 -65.0025 20.6582 -3.69794 20.6582 8.05716 GPRESSAVG: 3893600 68.6292 -14.324 -2.94209 -13.91 -65.0274 22.2298 -4.34001 19.4512 8.127 TIMING: 3893600 CPU: 12367.1, 0.00314033/step Wall: 12367.1, 0.00314033/step, 0.965129 hours remaining, 240.351562 MB of memory in use. ENERGY: 3893600 3978.6553 20632.4922 14379.6554 253.9521 -203220.2460 2576.7448 0.0000 0.0000 51899.6388 -109499.1074 298.2679 -161398.7461 -109131.0969 299.4841 50.5700 73.6027 760816.8270 3.8376 3.9096 PRESSURE: 3893800 -256.064 -278.097 -179.48 -278.095 -369.864 10.5349 -179.48 10.5347 -222.243 GPRESSURE: 3893800 -175.375 -236.894 -92.1733 -244.565 -417.956 105.618 -48.0117 -57.5163 -175.913 PRESSAVG: 3893800 13.6725 -41.0635 -23.9158 -41.0635 -14.7994 11.2132 -23.9158 11.2132 -2.3048 GPRESSAVG: 3893800 15.5295 -40.4736 -23.5821 -39.9645 -17.0468 11.1546 -24.6801 11.713 -2.03293 TIMING: 3893800 CPU: 12367.8, 0.00314367/step Wall: 12367.8, 0.00314367/step, 0.96598 hours remaining, 240.351562 MB of memory in use. ENERGY: 3893800 4029.5486 20551.9836 14334.0815 221.0283 -202823.3010 2234.7707 0.0000 0.0000 52070.5070 -109381.3812 299.2499 -161451.8883 -109010.9498 299.4957 -282.7237 -256.4148 760976.6767 -1.1439 -1.1834 PRESSURE: 3894000 47.4856 -151.643 -78.2111 -151.645 -79.6821 -183.98 -78.2109 -183.981 -101.878 GPRESSURE: 3894000 42.7832 -116.808 -85.0269 -27.0772 65.077 -198.833 -103.498 -59.3715 -160.963 PRESSAVG: 3894000 21.5811 -20.0957 33.6536 -20.0957 -14.9623 19.0378 33.6537 19.0377 8.91394 GPRESSAVG: 3894000 20.3063 -21.9826 33.4191 -21.2457 -14.1592 18.2214 34.271 19.9242 9.3945 TIMING: 3894000 CPU: 12368.4, 0.00314314/step Wall: 12368.4, 0.00314314/step, 0.965642 hours remaining, 240.351562 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: 3894000 3961.0412 20592.8088 14350.2794 228.3972 -203377.0643 2523.6745 0.0000 0.0000 52473.8979 -109246.9653 301.5682 -161720.8633 -108887.3854 299.5947 -44.6916 -17.7009 761219.3631 5.1776 5.1806 PRESSURE: 3894200 -257.172 -23.6424 149.411 -23.6425 -82.4017 199.79 149.41 199.79 -135.875 GPRESSURE: 3894200 -231.278 -66.7543 159.035 14.3246 -46.2281 195.696 104.445 39.1914 -127.425 PRESSAVG: 3894200 2.58544 -60.223 9.52036 -60.2229 42.0188 -23.7164 9.52035 -23.7163 1.73674 GPRESSAVG: 3894200 3.06235 -58.5546 9.52937 -57.5647 42.6546 -23.5399 8.31968 -22.323 0.906167 TIMING: 3894200 CPU: 12369, 0.00315059/step Wall: 12369, 0.00315059/step, 0.967757 hours remaining, 240.351562 MB of memory in use. ENERGY: 3894200 4003.2963 20515.4503 14358.9866 269.5759 -203107.7126 2558.4445 0.0000 0.0000 52041.6007 -109360.3582 299.0838 -161401.9589 -108993.7644 299.5426 -158.4830 -134.9771 761478.0408 15.4470 15.5411 PRESSURE: 3894400 38.4282 337.953 42.1538 337.953 -191.449 -26.0023 42.1537 -26.0021 48.2984 GPRESSURE: 3894400 -11.0388 183.301 76.8166 277.577 -76.8715 22.6166 127.257 -0.592717 97.2338 PRESSAVG: 3894400 49.9065 -47.0649 12.9244 -47.0648 -17.02 27.9263 12.9243 27.9263 -8.22293 GPRESSAVG: 3894400 48.9084 -47.7213 11.3184 -49.2277 -16.8881 29.8074 15.0661 25.3822 -7.89773 TIMING: 3894400 CPU: 12369.7, 0.0031618/step Wall: 12369.7, 0.0031618/step, 0.971023 hours remaining, 240.351562 MB of memory in use. ENERGY: 3894400 4055.9914 20617.7112 14354.9458 230.8329 -203485.3199 2793.6901 0.0000 0.0000 52205.9020 -109226.2464 300.0280 -161432.1485 -108859.5540 299.6081 -34.9074 3.1078 760634.0118 8.2212 8.0408 PRESSURE: 3894600 -148.945 -169.985 14.9613 -169.986 23.1087 87.506 14.9623 87.5045 384.707 GPRESSURE: 3894600 20.7227 -90.6686 -73.7546 -261.837 49.3586 43.2422 -112.979 43.7298 283.05 PRESSAVG: 3894600 -33.5243 -28.8155 10.3998 -28.8155 0.00209647 24.2039 10.3998 24.2039 3.57136 GPRESSAVG: 3894600 -32.9952 -27.7931 10.0171 -29.9908 0.649701 23.0293 12.4296 26.1192 2.69835 TIMING: 3894600 CPU: 12370.3, 0.00314816/step Wall: 12370.3, 0.00314816/step, 0.966659 hours remaining, 240.351562 MB of memory in use. ENERGY: 3894600 3919.6740 20590.5930 14421.0048 233.9142 -203088.1571 2395.5997 0.0000 0.0000 52255.2241 -109272.1474 300.3115 -161527.3714 -108896.6105 300.4317 86.2903 117.7106 760968.1566 -9.9836 -9.8824 PRESSURE: 3894800 366.572 -365.104 102.193 -365.105 -5.70346 268.794 102.193 268.794 -1.84723 GPRESSURE: 3894800 443.238 -252.059 151.75 -230.021 42.7158 210.275 -107.048 286.028 -11.7984 PRESSAVG: 3894800 24.8084 -23.9041 7.42004 -23.904 -68.8357 27.4128 7.42004 27.4128 11.9794 GPRESSAVG: 3894800 26.3362 -24.533 8.44584 -23.0196 -70.1653 28.1777 3.61449 25.1691 11.7936 TIMING: 3894800 CPU: 12370.9, 0.00315334/step Wall: 12370.9, 0.00315334/step, 0.968074 hours remaining, 240.351562 MB of memory in use. ENERGY: 3894800 3955.0164 20487.2155 14409.4106 251.8223 -203176.3527 2608.8239 0.0000 0.0000 52115.5382 -109348.5258 299.5087 -161464.0640 -108980.0213 300.3088 119.6737 158.0518 761013.9117 -10.6826 -10.6785 PRESSURE: 3895000 125.151 22.2536 -7.98767 22.2531 33.8902 -17.4904 -7.9873 -17.489 112.636 GPRESSURE: 3895000 220.599 6.9704 131.697 41.3696 176.453 52.715 -31.9551 21.7406 -14.8318 PRESSAVG: 3895000 20.9461 -0.774062 -1.38384 -0.77414 11.3648 14.1551 -1.38384 14.155 2.24364 GPRESSAVG: 3895000 21.203 -0.822503 -1.22558 -2.12668 10.9788 13.1264 -0.332963 15.0114 2.67109 TIMING: 3895000 CPU: 12371.5, 0.00314567/step Wall: 12371.5, 0.00314567/step, 0.965547 hours remaining, 240.351562 MB of memory in use. ENERGY: 3895000 4023.5432 20530.9131 14418.0226 244.8596 -203126.3631 2677.0560 0.0000 0.0000 51915.7297 -109316.2389 298.3604 -161231.9687 -108964.0654 299.6705 90.5591 127.4067 760146.5077 11.5182 11.6176 PRESSURE: 3895200 -220.097 -93.6588 35.6359 -93.6591 -131.944 2.06946 35.6359 2.06938 -555.709 GPRESSURE: 3895200 -217.704 -94.2594 -28.7607 -176.575 -210.042 -75.365 49.3998 56.0096 -411.879 PRESSAVG: 3895200 14.9294 -47.207 33.9202 -47.207 23.1995 44.6784 33.9202 44.6785 21.751 GPRESSAVG: 3895200 13.8206 -49.3005 33.0622 -43.9862 23.7298 44.8541 33.5942 45.8491 22.26 TIMING: 3895200 CPU: 12372.2, 0.00318876/step Wall: 12372.2, 0.00318876/step, 0.978595 hours remaining, 240.351562 MB of memory in use. ENERGY: 3895200 3976.1349 20491.8999 14385.9316 230.9729 -202970.9074 2326.7935 0.0000 0.0000 52320.8171 -109238.3575 300.6885 -161559.1746 -108877.7544 299.5786 -302.5833 -279.8751 761917.3232 19.9600 19.9368 PRESSURE: 3895400 -94.0555 -21.7335 66.7946 -21.7341 -241.589 262.115 66.7951 262.114 -13.2858 GPRESSURE: 3895400 -31.0109 102.835 75.1607 -22.1502 -254.297 178.847 149.509 259.248 27.5109 PRESSAVG: 3895400 -22.349 -3.04704 -22.6555 -3.04701 -29.5082 66.3368 -22.6555 66.3368 -2.86304 GPRESSAVG: 3895400 -21.8009 0.304715 -23.2644 -3.46329 -30.7051 66.8594 -21.7644 64.5631 -2.18169 TIMING: 3895400 CPU: 12372.8, 0.00313119/step Wall: 12372.8, 0.00313119/step, 0.960752 hours remaining, 240.351562 MB of memory in use. ENERGY: 3895400 3941.8084 20443.5816 14429.1961 236.1663 -202885.9085 2168.1899 0.0000 0.0000 52491.7889 -109175.1773 301.6710 -161666.9662 -108813.8908 300.4790 -116.3102 -85.9324 760065.5829 -18.2401 -18.2292 PRESSURE: 3895600 -5.1797 -181.261 77.5917 -181.261 -204.63 3.74224 77.5932 3.7426 -263.9 GPRESSURE: 3895600 99.5659 -107.155 77.5959 50.0779 -180.592 26.7 -36.2847 -40.0297 -298.081 PRESSAVG: 3895600 17.2095 -29.0248 11.0244 -29.0248 -45.2547 37.276 11.0245 37.2759 9.71357 GPRESSAVG: 3895600 17.9787 -29.8771 11.171 -31.2626 -45.1907 36.2687 11.7966 37.0387 8.80336 TIMING: 3895600 CPU: 12373.4, 0.00312778/step Wall: 12373.4, 0.00312778/step, 0.959533 hours remaining, 240.351562 MB of memory in use. ENERGY: 3895600 4102.7393 20546.2070 14310.2663 234.9491 -203121.2426 2579.6165 0.0000 0.0000 52231.0170 -109116.4474 300.1724 -161347.4644 -108759.8881 300.2616 -157.9033 -126.3691 759917.4418 -6.1105 -6.1362 PRESSURE: 3895800 193.13 182.131 90.9546 182.131 100.515 71.0527 90.9544 71.0521 -60.697 GPRESSURE: 3895800 190.959 186.623 96.2371 172.056 183.255 32.9678 20.6515 14.8443 -66.6739 PRESSAVG: 3895800 37.1161 14.0327 10.3178 14.0327 -50.1509 -31.4574 10.3178 -31.4574 5.15027 GPRESSAVG: 3895800 35.4913 12.5323 9.75042 16.0683 -48.4506 -30.4335 9.01255 -30.9185 4.77507 TIMING: 3895800 CPU: 12374.1, 0.00315103/step Wall: 12374.1, 0.00315103/step, 0.96649 hours remaining, 240.351562 MB of memory in use. ENERGY: 3895800 4042.2079 20615.8383 14338.5668 242.1989 -203247.9256 2689.5978 0.0000 0.0000 52252.2613 -109067.2546 300.2945 -161319.5159 -108712.3012 300.3729 77.6494 102.5135 761160.3889 -2.6282 -2.7281 PRESSURE: 3896000 -99.7142 129.6 21.3967 129.599 -247.975 -70.1185 21.3968 -70.1193 -40.9908 GPRESSURE: 3896000 -117.819 176.85 -25.6903 76.2756 -198.006 -55.7174 154.712 31.8364 16.799 PRESSAVG: 3896000 36.1896 0.982849 -14.2903 0.982806 -66.3248 24.429 -14.2904 24.4291 7.07698 GPRESSAVG: 3896000 36.3571 2.48955 -14.3669 -0.73477 -67.2631 23.8052 -11.6111 23.2472 7.48723 TIMING: 3896000 CPU: 12374.7, 0.00316399/step Wall: 12374.7, 0.00316398/step, 0.970289 hours remaining, 240.351562 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: 3896000 3926.3836 20522.3377 14359.7681 235.4789 -202801.5567 2281.5649 0.0000 0.0000 52215.8702 -109260.1533 300.0853 -161476.0234 -108884.1504 299.7541 -129.5600 -99.6753 763235.8552 -7.6861 -7.8062 PRESSURE: 3896200 123.573 -97.4164 -224.314 -97.4159 -69.4204 -87.4578 -224.313 -87.4576 -195.059 GPRESSURE: 3896200 157.788 -16.7524 -209.943 -175.052 -40.2422 -87.1327 -50.7428 -57.3277 -169.86 PRESSAVG: 3896200 56.3519 53.1891 3.41301 53.1891 -23.4776 22.8087 3.41293 22.8086 18.261 GPRESSAVG: 3896200 58.0589 51.3782 3.64614 55.5702 -24.4743 22.8788 1.87906 25.194 17.4675 TIMING: 3896200 CPU: 12375.3, 0.00315957/step Wall: 12375.3, 0.00315957/step, 0.968759 hours remaining, 240.351562 MB of memory in use. ENERGY: 3896200 4074.5312 20552.4359 14399.2485 248.3851 -203113.9493 2315.1640 0.0000 0.0000 52425.1895 -109098.9951 301.2883 -161524.1846 -108732.9315 300.5558 -46.9686 -17.4381 761103.5736 17.0451 17.0174 LDB: ============= START OF LOAD BALANCING ============== 12387.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12387.8 LDB: =============== DONE WITH MIGRATION ================ 12387.8 LDB: ============= START OF LOAD BALANCING ============== 12388.1 LDB: Largest compute 7068 load 0.034650 is 17.7% of average load 0.195339 LDB: Average compute 0.004394 is 2.2% of average load 0.195339 LDB: TIME 12388.1 LOAD: AVG 0.195339 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.312 MB LDB: TIME 12388.1 LOAD: AVG 0.195339 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.316 MB LDB: TIME 12388.1 LOAD: AVG 0.195339 MAX 0.213125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.316 MB LDB: ============== END OF LOAD BALANCING =============== 12388.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12388.1 PRESSURE: 3896400 -47.7412 -97.3445 78.363 -97.3453 -3.15458 -83.2963 78.362 -83.2967 -10.1697 GPRESSURE: 3896400 35.3159 -50.2536 69.6991 -178.18 -17.6708 -205.232 122.18 -54.7919 26.7335 PRESSAVG: 3896400 -21.6221 -59.5087 -18.233 -59.5087 -0.541423 21.6254 -18.233 21.6254 -11.1919 GPRESSAVG: 3896400 -21.7411 -57.4028 -17.7184 -60.8286 -0.726847 21.9302 -18.5184 20.944 -10.7454 TIMING: 3896400 CPU: 12376, 0.00323746/step Wall: 12376, 0.00323746/step, 0.992462 hours remaining, 239.824219 MB of memory in use. ENERGY: 3896400 3987.2153 20609.5315 14371.3468 251.6465 -203145.2996 2507.6464 0.0000 0.0000 52126.4840 -109291.4290 299.5716 -161417.9129 -108931.0181 299.6716 -20.3552 14.7928 761562.4274 -11.1185 -11.0711 PRESSURE: 3896600 364.167 -159.745 42.3132 -159.744 91.411 -118.054 42.3131 -118.054 165.868 GPRESSURE: 3896600 436.939 -114.053 43.8618 -224.251 169.876 -146.124 39.7122 -107.102 97.2264 PRESSAVG: 3896600 20.4762 -63.2254 -8.72045 -63.2253 1.98802 22.5267 -8.72044 22.5267 7.31661 GPRESSAVG: 3896600 21.088 -64.2972 -8.03719 -63.2096 2.76464 22.0212 -8.33259 20.5856 5.86628 TIMING: 3896600 CPU: 12376.6, 0.00313354/step Wall: 12376.6, 0.00313354/step, 0.96043 hours remaining, 240.027344 MB of memory in use. ENERGY: 3896600 4005.0696 20646.8982 14325.9644 224.5076 -203322.6975 2649.4701 0.0000 0.0000 52101.0915 -109369.6961 299.4257 -161470.7876 -109000.6968 299.7248 207.1487 234.6807 760040.0338 9.9269 9.9063 PRESSURE: 3896800 -301.601 -68.6156 21.7986 -68.6157 36.5478 109.112 21.7992 109.112 -42.207 GPRESSURE: 3896800 -233.204 11.4633 -4.59111 -125.321 30.789 59.049 102.218 185.37 -19.2525 PRESSAVG: 3896800 48.8551 -48.5491 -34.6115 -48.5491 -41.4881 -2.21364 -34.6115 -2.21355 15.5482 GPRESSAVG: 3896800 47.1034 -47.8343 -34.8796 -48.469 -40.9179 -2.12632 -34.6972 -2.04838 16.387 TIMING: 3896800 CPU: 12377.2, 0.00314547/step Wall: 12377.2, 0.00314546/step, 0.96391 hours remaining, 240.027344 MB of memory in use. ENERGY: 3896800 3973.5857 20445.1648 14384.2774 236.0697 -202818.0401 2254.5984 0.0000 0.0000 51984.1362 -109540.2079 298.7535 -161524.3441 -109182.9228 299.0555 -102.4199 -73.8892 761159.1540 7.6384 7.5242 PRESSURE: 3897000 -60.2261 -156.531 164.257 -156.532 181.707 -369.493 164.257 -369.493 -79.9647 GPRESSURE: 3897000 21.1023 -106.563 215.903 -205.304 145.994 -316.564 120.728 -170.464 -25.5899 PRESSAVG: 3897000 18.2523 -5.99312 12.7974 -5.99318 -37.9112 -16.2736 12.7973 -16.2736 10.2255 GPRESSAVG: 3897000 19.4463 -7.84895 11.0595 -6.02461 -39.4905 -16.8434 11.7938 -13.3244 10.5167 TIMING: 3897000 CPU: 12377.9, 0.0031354/step Wall: 12377.9, 0.0031354/step, 0.960652 hours remaining, 240.027344 MB of memory in use. ENERGY: 3897000 3958.2169 20467.1117 14425.9715 244.7863 -203147.5588 2370.9523 0.0000 0.0000 52309.1661 -109371.3541 300.6215 -161680.5201 -108999.0552 299.1103 13.8387 47.1687 760703.5665 -3.1444 -3.1759 PRESSURE: 3897200 -123.618 -124.501 16.777 -124.501 308.65 -119.389 16.7768 -119.39 389.483 GPRESSURE: 3897200 -76.2276 -70.7904 -82.1223 -75.0425 343.268 -88.8986 -27.2932 -69.5971 396.83 PRESSAVG: 3897200 37.7881 -11.0323 -17.4947 -11.0324 3.09403 68.5182 -17.4947 68.5182 -20.9181 GPRESSAVG: 3897200 36.2508 -8.48582 -14.6269 -12.151 3.30472 67.9333 -17.3257 67.8336 -19.8602 TIMING: 3897200 CPU: 12378.5, 0.003165/step Wall: 12378.5, 0.003165/step, 0.969544 hours remaining, 240.027344 MB of memory in use. ENERGY: 3897200 3949.9001 20379.1002 14424.7900 231.1699 -203044.1465 2493.9163 0.0000 0.0000 52222.4750 -109342.7950 300.1233 -161565.2700 -108983.4855 299.6249 191.5052 221.2900 761804.1155 6.6547 6.5651 PRESSURE: 3897400 93.8449 246.652 234.103 246.651 -131.725 -2.36764 234.103 -2.36652 -265.503 GPRESSURE: 3897400 86.2309 246.815 197.897 204.74 -146.978 3.41869 286.681 -38.3046 -149.049 PRESSAVG: 3897400 11.2843 15.5827 -23.6992 15.5827 -41.051 0.625346 -23.6992 0.625354 5.24082 GPRESSAVG: 3897400 12.0609 13.1438 -25.5919 16.1589 -39.074 1.0886 -23.5843 -0.05089 2.68284 TIMING: 3897400 CPU: 12379.1, 0.00314543/step Wall: 12379.1, 0.00314543/step, 0.963374 hours remaining, 240.027344 MB of memory in use. ENERGY: 3897400 3948.3661 20390.4317 14464.0947 240.0945 -203069.7651 2567.3097 0.0000 0.0000 51985.9012 -109473.5674 298.7637 -161459.4686 -109108.7329 299.5975 -101.1277 -69.9321 762326.8476 -8.1753 -8.1101 PRESSURE: 3897600 64.6868 -206.404 204.042 -206.404 60.4927 -52.1158 204.043 -52.1166 -240.019 GPRESSURE: 3897600 184.922 -81.9779 139.354 -259.078 120.806 -73.2388 194.367 -196.962 -342.333 PRESSAVG: 3897600 56.111 -9.84781 -20.1627 -9.84781 -27.9634 20.5508 -20.1626 20.5507 -0.0174281 GPRESSAVG: 3897600 57.0803 -9.04482 -19.954 -9.29763 -29.661 21.7235 -20.4785 20.2729 0.707373 TIMING: 3897600 CPU: 12379.8, 0.0031455/step Wall: 12379.8, 0.00314551/step, 0.963224 hours remaining, 240.027344 MB of memory in use. ENERGY: 3897600 3940.9038 20382.8734 14406.2585 239.8984 -202826.0120 2274.8136 0.0000 0.0000 52083.0746 -109498.1898 299.3221 -161581.2644 -109137.2506 298.8104 -38.2798 -12.2017 762882.8548 9.3767 9.3756 PRESSURE: 3897800 37.5845 139.75 145.138 139.751 61.2529 87.9959 145.137 87.9953 -111.631 GPRESSURE: 3897800 107.36 26.6655 124.025 81.5025 72.4121 74.2524 207.343 200.184 -105.204 PRESSAVG: 3897800 -14.3763 25.8733 2.26389 25.8733 -13.0827 -3.95598 2.26389 -3.95593 -12.2474 GPRESSAVG: 3897800 -14.2309 24.3608 2.08132 26.3758 -12.8306 -6.4604 3.55544 -3.59725 -12.9865 TIMING: 3897800 CPU: 12380.4, 0.00314859/step Wall: 12380.4, 0.00314859/step, 0.963993 hours remaining, 240.027344 MB of memory in use. ENERGY: 3897800 4022.8912 20460.3636 14407.3858 240.0842 -203630.6354 2786.9011 0.0000 0.0000 51936.1960 -109776.8135 298.4780 -161713.0095 -109415.5866 298.9461 -4.2645 24.8561 761426.9846 -13.2355 -13.3494 PRESSURE: 3898000 -163.214 -210.014 40.3681 -210.014 272.474 -249.104 40.3685 -249.106 437.263 GPRESSURE: 3898000 -55.376 -110.425 12.2205 -210.25 255.744 -188.945 -124.031 -145.327 440.048 PRESSAVG: 3898000 15.3237 7.21961 35.1231 7.21963 -1.39589 -41.6021 35.123 -41.6021 11.5077 GPRESSAVG: 3898000 14.3474 7.91009 36.7036 6.39987 -1.60805 -39.5997 33.1076 -42.1469 12.0883 TIMING: 3898000 CPU: 12381, 0.00312739/step Wall: 12381, 0.00312739/step, 0.957329 hours remaining, 240.027344 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: 3898000 3942.1021 20429.0683 14416.8282 228.2355 -203574.5091 2858.2805 0.0000 0.0000 51918.2437 -109781.7508 298.3749 -161699.9945 -109419.3350 298.6268 182.1744 213.4723 760809.2711 8.4785 8.2759 PRESSURE: 3898200 153.819 -42.7087 -162.865 -42.7084 -120.127 115.813 -162.865 115.811 -24.8641 GPRESSURE: 3898200 106.414 -81.2622 -160.132 -42.5649 -0.154569 84.9747 -65.9851 13.3325 -7.44288 PRESSAVG: 3898200 -17.8611 4.43368 -18.1897 4.43377 34.1427 0.915482 -18.1897 0.915419 6.99031 GPRESSAVG: 3898200 -18.913 5.00147 -18.2538 4.19125 34.6782 1.30901 -17.6398 1.99318 7.77365 TIMING: 3898200 CPU: 12381.6, 0.00312961/step Wall: 12381.6, 0.00312961/step, 0.957835 hours remaining, 240.027344 MB of memory in use. ENERGY: 3898200 3955.1826 20549.8438 14447.0857 237.9796 -203152.2707 2292.3289 0.0000 0.0000 51921.9594 -109747.8907 298.3962 -161669.8500 -109387.9046 299.0792 2.9426 32.9387 761123.3171 7.7573 7.8463 PRESSURE: 3898400 -193.723 111.456 53.5088 111.455 83.4266 93.7784 53.5087 93.7774 -277.852 GPRESSURE: 3898400 -163.342 191.898 17.0483 214.963 85.7571 97.7415 183.058 -46.8009 -226.467 PRESSAVG: 3898400 -6.75501 21.8669 -35.2294 21.867 28.1429 -19.1362 -35.2293 -19.1363 0.140574 GPRESSAVG: 3898400 -6.68029 21.953 -35.5379 23.0126 27.6936 -18.3175 -34.6423 -21.1102 0.513955 TIMING: 3898400 CPU: 12382.3, 0.00313378/step Wall: 12382.3, 0.00313378/step, 0.958937 hours remaining, 240.027344 MB of memory in use. ENERGY: 3898400 3921.9156 20504.0407 14452.1853 229.7730 -203277.2760 2580.3426 0.0000 0.0000 52091.8494 -109497.1696 299.3726 -161589.0190 -109124.3223 299.1135 -129.3826 -101.3504 760324.3190 7.1762 7.1758 PRESSURE: 3898600 -101.403 66.6477 1.87414 66.6473 243.287 -34.4657 1.87455 -34.4652 -178.741 GPRESSURE: 3898600 -30.5668 91.9071 17.8242 119.7 241.526 -68.3059 -53.7858 -87.9327 -157.856 PRESSAVG: 3898600 -6.92251 1.33771 -31.4777 1.33777 -40.8774 11.4372 -31.4777 11.4373 11.4261 GPRESSAVG: 3898600 -7.35812 2.13187 -31.9037 2.74813 -39.761 8.17749 -33.2036 15.1082 11.3459 TIMING: 3898600 CPU: 12382.9, 0.00315861/step Wall: 12382.9, 0.00315861/step, 0.966359 hours remaining, 240.027344 MB of memory in use. ENERGY: 3898600 3938.8112 20607.7758 14407.5420 251.0869 -203792.5582 2712.3951 0.0000 0.0000 52452.4217 -109422.5255 301.4448 -161874.9472 -109055.0676 299.6091 -12.2858 17.7010 760629.0603 -12.1246 -11.9244 PRESSURE: 3898800 47.7587 2.04697 -235.057 2.04684 -211.352 -34.0894 -235.057 -34.0895 44.78 GPRESSURE: 3898800 49.4607 33.3201 -231.895 -18.7117 -208.179 -20.8376 -214.048 -89.3327 137.233 PRESSAVG: 3898800 29.6788 -11.2789 -93.2795 -11.2789 -1.32174 8.7499 -93.2795 8.74997 -1.07708 GPRESSAVG: 3898800 29.3885 -10.6123 -93.923 -13.1292 -1.43016 12.0287 -89.6729 5.44053 -0.615994 TIMING: 3898800 CPU: 12383.5, 0.00317029/step Wall: 12383.5, 0.00317029/step, 0.969756 hours remaining, 240.027344 MB of memory in use. ENERGY: 3898800 4010.0346 20386.1655 14378.0246 238.5299 -202839.5279 2284.6615 0.0000 0.0000 52300.8074 -109241.3043 300.5735 -161542.1117 -108879.1854 299.9656 -39.6043 -7.1616 760775.0629 9.0933 9.1141 PRESSURE: 3899000 91.3346 9.7344 122.102 9.73393 -263.406 -15.5166 122.103 -15.5164 -42.3316 GPRESSURE: 3899000 195.067 18.3706 27.2189 67.2066 -185.475 31.3781 85.6391 72.9227 -126.521 PRESSAVG: 3899000 55.7274 19.0358 -67.7394 19.0358 -37.4177 -18.3112 -67.7394 -18.3111 -7.55352 GPRESSAVG: 3899000 57.5821 17.4433 -68.148 20.2523 -38.2987 -18.6194 -70.5621 -17.4267 -8.32856 TIMING: 3899000 CPU: 12384.2, 0.0031579/step Wall: 12384.2, 0.0031579/step, 0.965792 hours remaining, 240.027344 MB of memory in use. ENERGY: 3899000 3996.3565 20485.1690 14468.1234 232.4499 -202897.4714 2284.0924 0.0000 0.0000 52139.9508 -109291.3294 299.6490 -161431.2802 -108928.9676 300.1355 -71.4678 -38.9763 759522.2324 3.5854 3.6516 PRESSURE: 3899200 99.2136 -192.26 -88.0111 -192.26 126.006 -0.27608 -88.0109 -0.275118 11.1788 GPRESSURE: 3899200 4.65734 -172.866 -169.176 -177.635 242.141 -42.7269 46.5145 -77.8184 69.4738 PRESSAVG: 3899200 48.5837 11.1843 22.6109 11.1843 -11.3218 -18.6513 22.611 -18.6513 0.788544 GPRESSAVG: 3899200 47.1682 10.3151 23.1782 11.678 -10.2029 -20.9508 23.109 -17.8417 0.798959 TIMING: 3899200 CPU: 12384.8, 0.00314245/step Wall: 12384.8, 0.00314245/step, 0.960893 hours remaining, 240.027344 MB of memory in use. ENERGY: 3899200 4014.7051 20572.4872 14411.6058 243.3449 -203244.7604 2486.3448 0.0000 0.0000 52007.7900 -109508.4825 298.8895 -161516.2725 -109143.4868 299.3566 78.7996 105.4241 760157.0814 12.6835 12.5881 PRESSURE: 3899400 331.566 18.0005 -51.6852 17.9999 -138.278 42.6864 -51.6857 42.6872 10.7552 GPRESSURE: 3899400 355.478 70.0398 47.9562 34.6043 -115.65 18.661 -98.2494 29.6432 45.4579 PRESSAVG: 3899400 19.7308 6.28571 -45.8925 6.28568 -29.456 -30.7879 -45.8925 -30.7879 13.2099 GPRESSAVG: 3899400 19.7845 8.05472 -45.8886 5.44804 -29.6306 -30.6191 -45.308 -31.6775 13.1596 TIMING: 3899400 CPU: 12385.4, 0.00315568/step Wall: 12385.4, 0.00315568/step, 0.964762 hours remaining, 240.027344 MB of memory in use. ENERGY: 3899400 3984.5745 20582.6859 14398.7384 238.1671 -203002.2663 2380.7234 0.0000 0.0000 52005.2259 -109412.1510 298.8747 -161417.3769 -109047.6867 299.4913 68.0145 95.0955 761511.6862 1.1616 1.1045 PRESSURE: 3899600 179.183 -18.796 -3.26886 -18.7958 -132.608 -80.3009 -3.26939 -80.3015 -171.791 GPRESSURE: 3899600 253.387 67.1667 -104.803 -60.114 -124.049 -44.0825 23.6306 -68.8879 -176.28 PRESSAVG: 3899600 13.8374 1.78511 -31.5648 1.78513 -42.2715 13.3255 -31.5648 13.3255 -3.03788 GPRESSAVG: 3899600 14.3402 0.254149 -30.9707 2.3352 -42.8576 17.309 -31.5992 11.0191 -3.75421 TIMING: 3899600 CPU: 12386, 0.00313072/step Wall: 12386, 0.00313072/step, 0.956956 hours remaining, 240.027344 MB of memory in use. ENERGY: 3899600 3991.0817 20564.5348 14364.4101 247.1024 -203232.4856 2688.3851 0.0000 0.0000 52105.6940 -109271.2775 299.4521 -161376.9715 -108903.9127 299.3269 -41.7385 -15.6474 762498.9692 -10.4906 -10.7572 PRESSURE: 3899800 341.244 104.881 -133.009 104.881 241.026 12.7689 -133.01 12.7704 249.587 GPRESSURE: 3899800 295.909 82.258 -89.5438 169.982 276.859 -97.7647 -59.662 39.4419 330.888 PRESSAVG: 3899800 50.4717 -9.54718 31.0224 -9.54717 -26.052 17.3272 31.0224 17.3272 -4.70481 GPRESSAVG: 3899800 49.8669 -5.95948 30.2703 -11.4315 -25.6654 14.6777 33.0302 21.306 -4.66659 TIMING: 3899800 CPU: 12386.7, 0.0031197/step Wall: 12386.7, 0.0031197/step, 0.953416 hours remaining, 240.027344 MB of memory in use. ENERGY: 3899800 4032.0206 20468.0801 14471.0281 257.9942 -203627.0539 2945.5759 0.0000 0.0000 52131.2089 -109321.1461 299.5988 -161452.3550 -108955.9978 299.3522 277.2858 301.2185 762034.4383 6.5716 6.5116 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900000 158.967 -46.8077 115.176 -46.8072 -61.8442 61.4432 115.176 61.442 -191.144 GPRESSURE: 3900000 266.46 -60.5289 86.168 -252.919 -85.9031 136.585 -68.8516 -23.477 -209.364 PRESSAVG: 3900000 17.0194 55.1967 -38.9301 55.1967 -63.041 13.8158 -38.9302 13.8159 -7.06859 GPRESSAVG: 3900000 17.0143 51.4946 -39.4213 55.6759 -63.3078 15.8455 -38.6952 13.7572 -7.04148 TIMING: 3900000 CPU: 12387.3, 0.00327496/step Wall: 12387.3, 0.00327496/step, 1.00068 hours remaining, 240.027344 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: 3900000 4044.9205 20641.0079 14388.3374 241.9649 -203224.5847 2736.4062 0.0000 0.0000 51975.1385 -109196.8093 298.7018 -161171.9478 -108847.3609 299.2934 -31.3405 -9.6025 763542.2723 -17.6967 -17.7783 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 PRESSURE: 3900200 17.0568 -13.9079 -112.69 -13.9077 -154.252 -26.8137 -112.689 -26.813 -186.365 GPRESSURE: 3900200 94.2917 14.7054 -60.2192 -156.475 -133.743 -105.954 -90.0979 49.2691 -223.122 PRESSAVG: 3900200 26.9135 55.9498 -16.8061 55.9498 20.9578 -29.4957 -16.8062 -29.4957 13.0832 GPRESSAVG: 3900200 27.2966 56.3336 -15.1647 55.6046 20.2179 -31.424 -18.3226 -31.9669 13.148 TIMING: 3900200 CPU: 12388, 0.00315063/step Wall: 12388, 0.00315063/step, 0.962517 hours remaining, 240.027344 MB of memory in use. ENERGY: 3900200 4008.5123 20528.2351 14446.9248 247.0623 -202597.2222 2218.7929 0.0000 0.0000 51952.6418 -109195.0531 298.5725 -161147.6949 -108822.2534 299.7377 -107.8532 -87.5242 763258.8245 20.3182 20.2208 LDB: ============= START OF LOAD BALANCING ============== 12400.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12400.4 LDB: =============== DONE WITH MIGRATION ================ 12400.4 LDB: ============= START OF LOAD BALANCING ============== 12400.7 LDB: Largest compute 7056 load 0.036069 is 18.5% of average load 0.195394 LDB: Average compute 0.004399 is 2.3% of average load 0.195394 LDB: TIME 12400.7 LOAD: AVG 0.195394 MAX 0.215438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.086 MB LDB: TIME 12400.7 LOAD: AVG 0.195394 MAX 0.215438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: TIME 12400.7 LOAD: AVG 0.195394 MAX 0.215438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: ============== END OF LOAD BALANCING =============== 12400.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12400.7 PRESSURE: 3900400 -131.017 -147.7 87.2717 -147.7 299.965 14.9621 87.2715 14.9626 351.838 GPRESSURE: 3900400 -144.293 -213.624 81.4973 -163.162 340.279 57.0831 75.7111 107.946 390.812 PRESSAVG: 3900400 22.0504 -45.4305 46.0263 -45.4304 3.25589 40.5527 46.0263 40.5527 -13.6451 GPRESSAVG: 3900400 21.9198 -43.5123 44.6676 -46.4233 2.74017 41.8425 45.1224 39.4719 -12.7629 TIMING: 3900400 CPU: 12388.6, 0.00318274/step Wall: 12388.6, 0.00318274/step, 0.97215 hours remaining, 240.027344 MB of memory in use. ENERGY: 3900400 3966.7694 20655.5989 14368.7465 235.3089 -203407.5510 2940.0419 0.0000 0.0000 52024.5974 -109216.4880 298.9861 -161241.0854 -108867.1011 299.4562 173.5952 195.5993 762189.5050 3.8871 3.9657 PRESSURE: 3900600 94.7311 -84.023 55.1876 -84.023 197.035 -23.6143 55.1878 -23.6158 -161.846 GPRESSURE: 3900600 132.091 -200.568 105.745 -39.4572 214.305 53.783 207.974 -63.3146 -142.079 PRESSAVG: 3900600 17.0786 -10.1356 -5.05168 -10.1356 -0.728092 -22.8328 -5.05167 -22.8328 3.01832 GPRESSAVG: 3900600 16.9789 -13.5305 -4.72745 -8.24275 -0.167726 -23.9329 -1.86312 -22.3121 2.62593 TIMING: 3900600 CPU: 12389.2, 0.00314191/step Wall: 12389.2, 0.00314191/step, 0.959506 hours remaining, 240.027344 MB of memory in use. ENERGY: 3900600 4064.0089 20641.5297 14444.1495 245.4225 -203275.8782 2637.0482 0.0000 0.0000 52040.3466 -109203.3728 299.0766 -161243.7194 -108839.4972 299.5824 43.3069 68.1058 760426.6107 6.4563 6.4790 PRESSURE: 3900800 227.513 2.48852 139.544 2.48888 -117.572 -13.6648 139.543 -13.665 186.311 GPRESSURE: 3900800 312.53 142.235 159.671 6.47839 -71.2278 -8.13206 63.1195 55.2696 152.488 PRESSAVG: 3900800 -23.1558 0.262579 -19.5295 0.262614 32.9493 -17.0835 -19.5294 -17.0835 -6.2391 GPRESSAVG: 3900800 -23.6793 3.28086 -18.898 -1.75675 33.9637 -17.6757 -21.2083 -14.6308 -6.69662 TIMING: 3900800 CPU: 12389.8, 0.00316043/step Wall: 12389.8, 0.00316043/step, 0.964984 hours remaining, 240.027344 MB of memory in use. ENERGY: 3900800 4051.5618 20510.7499 14338.4498 239.7688 -203375.6512 2690.2552 0.0000 0.0000 52052.4600 -109492.4058 299.1462 -161544.8658 -109134.2493 299.5828 98.7508 131.2632 761737.1434 1.1848 1.1959 PRESSURE: 3901000 71.4423 -171.927 -33.8517 -171.928 -119.373 16.2459 -33.8508 16.2455 91.3125 GPRESSURE: 3901000 162.527 -169.337 -52.5958 -78.3363 -57.0279 -80.9925 -60.6131 -2.57837 -1.6953 PRESSAVG: 3901000 36.5184 -31.874 -4.60457 -31.874 -63.0647 33.5614 -4.60452 33.5614 18.1324 GPRESSAVG: 3901000 38.1671 -33.1335 -4.68282 -32.2617 -65.0741 32.4597 -5.37474 32.4938 18.496 TIMING: 3901000 CPU: 12390.5, 0.00313693/step Wall: 12390.5, 0.00313693/step, 0.957636 hours remaining, 240.027344 MB of memory in use. ENERGY: 3901000 4063.7930 20578.8204 14364.4981 256.4567 -204049.7164 3020.9114 0.0000 0.0000 52228.1848 -109537.0519 300.1561 -161765.2368 -109170.4475 299.2655 14.4605 34.6013 760089.3088 -2.8046 -2.8037 PRESSURE: 3901200 -2.78619 123.326 -202.3 123.326 -499.679 -291.586 -202.3 -291.587 26.5436 GPRESSURE: 3901200 -67.4676 74.0635 -174.396 142.192 -313.66 -272.191 -219.206 -289.606 -9.03835 PRESSAVG: 3901200 87.0834 14.3586 -11.6145 14.3587 -68.2618 12.6625 -11.6144 12.6625 13.5472 GPRESSAVG: 3901200 86.3893 13.7139 -12.0944 16.4758 -66.7607 15.0899 -10.0231 10.8819 12.7823 TIMING: 3901200 CPU: 12391.1, 0.00311677/step Wall: 12391.1, 0.00311677/step, 0.951309 hours remaining, 240.027344 MB of memory in use. ENERGY: 3901200 4004.8391 20485.4765 14463.8676 250.1449 -203392.9110 2390.0331 0.0000 0.0000 52382.0083 -109416.5416 301.0401 -161798.5498 -109051.6030 299.7865 -158.6405 -130.0552 760840.9379 10.7896 10.8036 PRESSURE: 3901400 -194.588 125.673 -265.664 125.672 -27.8018 41.6397 -265.663 41.6402 36.1507 GPRESSURE: 3901400 -159.211 176.505 -318.128 173.147 4.9445 128.473 -144.076 -47.0979 63.5211 PRESSAVG: 3901400 -49.7695 -11.0011 -43.4455 -11.0012 -48.8078 2.35942 -43.4455 2.35945 7.03318 GPRESSAVG: 3901400 -51.0314 -10.8884 -44.1781 -10.887 -47.436 2.14168 -41.3504 3.0419 7.64429 TIMING: 3901400 CPU: 12391.7, 0.00313192/step Wall: 12391.7, 0.00313192/step, 0.955758 hours remaining, 240.027344 MB of memory in use. ENERGY: 3901400 4005.5535 20500.4646 14387.5844 258.5447 -203234.5917 2530.1848 0.0000 0.0000 52089.6127 -109462.6468 299.3597 -161552.2596 -109100.5197 299.0384 -62.0797 -30.2483 759808.2224 -30.5147 -30.2743 PRESSURE: 3901600 -279.73 331.382 75.8706 331.382 -70.6469 -1.68328 75.8708 -1.68429 55.4647 GPRESSURE: 3901600 -143.374 357.07 31.6513 227.449 -194.038 -5.2003 148.862 38.8761 143.777 PRESSAVG: 3901600 19.3782 -2.92533 -14.0278 -2.92531 11.2125 -19.041 -14.0278 -19.0409 -15.5127 GPRESSAVG: 3901600 22.1713 -1.62817 -13.354 -4.55484 8.28773 -19.3444 -16.886 -19.3613 -16.0017 TIMING: 3901600 CPU: 12392.4, 0.00314329/step Wall: 12392.4, 0.00314329/step, 0.959053 hours remaining, 240.027344 MB of memory in use. ENERGY: 3901600 4058.6753 20607.9494 14486.7453 245.4711 -203127.5709 2383.3730 0.0000 0.0000 52094.6705 -109250.6864 299.3888 -161345.3569 -108893.0337 299.7638 -98.3042 -64.5449 759533.9505 5.0260 4.8191 PRESSURE: 3901800 -199.39 -280.6 218.056 -280.6 169.885 -261.469 218.056 -261.469 -277.942 GPRESSURE: 3901800 -145.818 -280.457 288.044 -304.367 228.732 -275.501 141.934 -270.751 -307.511 PRESSAVG: 3901800 5.19458 -2.20382 -32.7289 -2.20376 16.5187 -33.3289 -32.729 -33.329 10.6638 GPRESSAVG: 3901800 3.34292 -2.16893 -32.4562 -3.15518 18.8373 -34.3532 -33.0189 -31.8857 10.1512 TIMING: 3901800 CPU: 12393, 0.00314451/step Wall: 12393, 0.00314451/step, 0.959249 hours remaining, 240.027344 MB of memory in use. ENERGY: 3901800 4025.7259 20600.4298 14489.0901 238.3594 -203336.9521 2576.3460 0.0000 0.0000 52134.9688 -109272.0322 299.6204 -161407.0010 -108902.2755 300.4306 -102.4824 -74.8660 759264.8377 10.7924 10.7771 PRESSURE: 3902000 63.7212 80.5107 -182.258 80.5107 -108.696 229.33 -182.259 229.331 -59.9041 GPRESSURE: 3902000 55.9787 80.5309 -188.287 107.046 17.2018 177.468 -171.723 304.596 -95.2138 PRESSAVG: 3902000 15.3269 19.3919 -13.9433 19.392 6.25037 26.7484 -13.9432 26.7484 -0.0762347 GPRESSAVG: 3902000 14.3844 16.916 -14.2753 22.6795 5.96469 26.8866 -14.1696 26.4124 0.276708 TIMING: 3902000 CPU: 12393.6, 0.00314986/step Wall: 12393.6, 0.00314986/step, 0.960706 hours remaining, 240.027344 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: 3902000 3996.0925 20453.8661 14379.2231 272.5507 -203457.7175 2760.3861 0.0000 0.0000 52218.4529 -109377.1462 300.1002 -161595.5990 -109010.7912 299.8021 -34.9595 -7.3445 760192.4121 7.1670 6.8753 PRESSURE: 3902200 -309.654 -58.0329 -201.676 -58.0328 -66.5302 5.82695 -201.676 5.8265 -265.789 GPRESSURE: 3902200 -235.157 58.6648 -197.495 -163.848 -1.61858 39.1641 -163.338 18.9299 -328.255 PRESSAVG: 3902200 55.3718 9.85467 -31.266 9.85462 -67.3331 46.4726 -31.266 46.4727 5.57378 GPRESSAVG: 3902200 56.8808 12.2652 -30.8451 8.10414 -68.9656 46.5038 -30.0564 46.0318 5.23925 TIMING: 3902200 CPU: 12394.2, 0.00313475/step Wall: 12394.2, 0.00313475/step, 0.955926 hours remaining, 240.027344 MB of memory in use. ENERGY: 3902200 4038.0984 20682.2465 14435.2151 252.2070 -203440.1924 2455.4208 0.0000 0.0000 51979.1801 -109597.8245 298.7251 -161577.0046 -109238.3517 299.4493 -213.9911 -188.3434 758867.6474 -2.1292 -2.2818 PRESSURE: 3902400 -55.7528 -60.6757 -90.4797 -60.6762 -371.073 13.8456 -90.4788 13.8463 -281.989 GPRESSURE: 3902400 -43.2616 -82.5507 -142.836 20.1494 -355.783 -59.9781 -116.302 -9.9358 -221.959 PRESSAVG: 3902400 38.876 -4.23743 5.81082 -4.23746 -22.2573 -48.9485 5.8108 -48.9485 -19.0144 GPRESSAVG: 3902400 39.4044 -6.10722 7.0874 -2.04309 -22.7246 -50.2126 2.54912 -48.8857 -19.2158 TIMING: 3902400 CPU: 12394.9, 0.00313257/step Wall: 12394.9, 0.00313257/step, 0.955086 hours remaining, 240.027344 MB of memory in use. ENERGY: 3902400 4064.8848 20612.5689 14458.8631 243.9797 -203223.0400 2251.4888 0.0000 0.0000 52105.3883 -109485.8663 299.4504 -161591.2546 -109129.2729 299.3777 -236.2718 -207.0011 759600.3655 -0.7986 -0.8453 PRESSURE: 3902600 -68.5556 -292.715 129.094 -292.715 -107.749 -190.589 129.094 -190.589 -38.3471 GPRESSURE: 3902600 -64.2188 -380.328 159.942 -43.5349 -110.694 -194.487 165.4 -93.8123 32.7782 PRESSAVG: 3902600 63.1944 -49.219 -1.35505 -49.219 -15.461 -38.1491 -1.35501 -38.1492 7.23551 GPRESSAVG: 3902600 60.7398 -49.623 -2.42185 -48.4369 -14.005 -35.5365 1.86709 -40.2072 7.93003 TIMING: 3902600 CPU: 12395.5, 0.00313849/step Wall: 12395.5, 0.00313849/step, 0.956715 hours remaining, 240.027344 MB of memory in use. ENERGY: 3902600 3972.1515 20526.7941 14425.1470 249.9549 -203478.4064 2653.1059 0.0000 0.0000 52344.9649 -109306.2880 300.8272 -161651.2530 -108946.1387 299.8401 -71.5506 -47.3781 760137.5858 18.3230 18.2216 PRESSURE: 3902800 -421.349 -25.9271 -19.9847 -25.926 -237.383 -113.008 -19.9851 -113.009 -130.425 GPRESSURE: 3902800 -339.384 -80.6051 67.9711 22.2892 -210.04 -93.2638 -43.985 -153.664 -154.056 PRESSAVG: 3902800 -5.2913 -38.5405 -14.6643 -38.5405 1.77265 -35.946 -14.6642 -35.9461 7.58271 GPRESSAVG: 3902800 -4.98197 -37.1818 -16.0714 -41.4421 2.03484 -38.5931 -17.1483 -34.961 7.1575 TIMING: 3902800 CPU: 12396.1, 0.00312384/step Wall: 12396.1, 0.00312384/step, 0.952078 hours remaining, 240.027344 MB of memory in use. ENERGY: 3902800 3963.1938 20591.6780 14385.5451 252.8394 -203354.2633 2455.8408 0.0000 0.0000 52298.3781 -109406.7881 300.5595 -161705.1662 -109038.6600 299.7817 -263.0520 -234.4933 760600.7205 1.3547 1.4035 PRESSURE: 3903000 225.797 100.601 -36.3964 100.601 -67.868 38.1532 -36.3961 38.1529 87.1302 GPRESSURE: 3903000 231.897 137.873 -74.1801 219.185 17.856 -20.3384 -17.2058 -11.8473 75.1229 PRESSAVG: 3903000 -26.0503 -2.66601 20.9292 -2.66594 2.4951 13.8118 20.9293 13.8118 -3.8588 GPRESSAVG: 3903000 -26.222 -2.61039 21.9441 0.967613 2.13313 13.2769 25.1724 16.1966 -3.49018 TIMING: 3903000 CPU: 12396.7, 0.00311878/step Wall: 12396.7, 0.00311878/step, 0.950362 hours remaining, 240.027344 MB of memory in use. ENERGY: 3903000 4006.9654 20472.5366 14372.2975 246.1306 -203341.0278 2601.7870 0.0000 0.0000 52107.3231 -109533.9877 299.4615 -161641.3108 -109168.8978 299.0248 81.6864 108.2918 760202.6248 -9.1380 -9.1930 PRESSURE: 3903200 168.643 -121.316 109.348 -121.316 18.6655 -94.6549 109.348 -94.6549 414.395 GPRESSURE: 3903200 171.977 -118.814 6.75453 -60.9094 35.3596 -126.45 115.083 8.01826 470.584 PRESSAVG: 3903200 -24.2568 -30.9755 32.6473 -30.9755 22.9233 13.1534 32.6473 13.1534 9.27224 GPRESSAVG: 3903200 -25.1301 -31.0617 30.8002 -32.7968 22.1899 14.7747 30.6216 11.5346 9.7553 TIMING: 3903200 CPU: 12397.4, 0.0031325/step Wall: 12397.4, 0.00313249/step, 0.954367 hours remaining, 240.027344 MB of memory in use. ENERGY: 3903200 4033.2187 20588.9308 14401.2776 250.9697 -203070.6290 2451.0026 0.0000 0.0000 51957.2352 -109387.9944 298.5989 -161345.2296 -109019.4357 299.3693 200.5679 225.9736 760810.0295 2.6463 2.2717 PRESSURE: 3903400 -184.685 86.5285 -148.569 86.529 -102.784 -124.925 -148.569 -124.924 315.825 GPRESSURE: 3903400 -91.1208 97.2339 -8.87514 55.9669 -68.2222 -161.731 -26.9463 -61.4344 255.69 PRESSAVG: 3903400 -9.05588 -20.8694 -18.5572 -20.8693 50.6518 21.6498 -18.5572 21.6498 36.3129 GPRESSAVG: 3903400 -7.61892 -20.9077 -17.939 -24.1128 49.7876 21.9474 -18.1727 20.9495 35.5653 TIMING: 3903400 CPU: 12398, 0.0031302/step Wall: 12398, 0.0031302/step, 0.953494 hours remaining, 240.027344 MB of memory in use. ENERGY: 3903400 4095.0080 20622.3884 14426.5428 259.6802 -203220.0303 2461.9000 0.0000 0.0000 52185.3698 -109169.1410 299.9100 -161354.5108 -108814.4574 299.4291 9.4521 32.1155 761817.7049 25.9696 25.9113 PRESSURE: 3903600 -101.844 -76.4567 -62.1152 -76.4565 523.774 -122.871 -62.1152 -122.872 262.718 GPRESSURE: 3903600 -25.0789 -122.604 -22.7156 -2.00575 507.441 -149.381 -4.57461 -109.564 301.783 PRESSAVG: 3903600 35.3463 -20.5763 -31.8506 -20.5762 -12.7189 -23.1423 -31.8506 -23.1424 -31.8989 GPRESSAVG: 3903600 34.664 -21.5457 -31.709 -17.1075 -11.2551 -23.2206 -30.6377 -23.5147 -32.2398 TIMING: 3903600 CPU: 12398.6, 0.00314968/step Wall: 12398.6, 0.00314968/step, 0.959253 hours remaining, 240.027344 MB of memory in use. ENERGY: 3903600 4082.8542 20556.5099 14411.0924 242.8463 -203421.0675 2724.4031 0.0000 0.0000 52157.5127 -109245.8489 299.7499 -161403.3615 -108889.8231 300.2430 228.2160 261.3816 759197.9782 -3.0905 -2.9436 PRESSURE: 3903800 -415.23 -41.4926 -34.2065 -41.4937 -198.484 -47.5404 -34.2058 -47.5405 -135.781 GPRESSURE: 3903800 -357.056 27.839 -41.1908 31.6262 -195.686 60.2311 -176.054 -146.585 -109.32 PRESSAVG: 3903800 24.3753 3.50339 -47.9654 3.50339 -0.512017 -2.33987 -47.9654 -2.33976 -24.298 GPRESSAVG: 3903800 23.9578 6.27866 -48.2432 2.08456 -1.00194 -2.91203 -48.254 0.631609 -22.3355 TIMING: 3903800 CPU: 12399.3, 0.0031527/step Wall: 12399.3, 0.0031527/step, 0.959997 hours remaining, 240.027344 MB of memory in use. ENERGY: 3903800 4070.7049 20597.8957 14475.4660 247.7471 -202853.0569 2216.0406 0.0000 0.0000 51970.4433 -109274.7593 298.6749 -161245.2026 -108914.7627 299.5447 -249.8316 -220.6876 761554.2246 -0.1449 0.2068 PRESSURE: 3904000 103.248 74.8891 -6.30073 74.8894 90.9309 -82.442 -6.30082 -82.4442 79.8002 GPRESSURE: 3904000 145.007 85.4234 -23.1987 21.1337 134.504 -98.4616 48.2278 16.6555 89.0369 PRESSAVG: 3904000 -26.8634 3.10789 18.9112 3.10792 64.4346 -15.233 18.9112 -15.233 9.98464 GPRESSAVG: 3904000 -25.9137 1.37623 18.763 3.09446 64.5858 -16.444 18.6796 -15.8695 8.64551 TIMING: 3904000 CPU: 12399.9, 0.00312521/step Wall: 12399.9, 0.00312521/step, 0.951453 hours remaining, 240.027344 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: 3904000 4008.2359 20492.2317 14421.1977 277.3323 -203432.1543 2657.3980 0.0000 0.0000 52315.6679 -109260.0908 300.6589 -161575.7588 -108893.2906 300.1754 91.3265 122.8495 760824.4733 15.8519 15.7726 PRESSURE: 3904200 54.0578 -68.117 -78.9583 -68.1159 -238.012 409.776 -78.9585 409.776 -39.4495 GPRESSURE: 3904200 -45.9369 -9.30655 -63.6411 -26.7957 -99.2669 352.498 -76.5031 274.494 3.24511 PRESSAVG: 3904200 -45.4854 47.9542 -3.50828 47.9542 57.6406 23.4053 -3.50835 23.4053 -0.295729 GPRESSAVG: 3904200 -44.8479 48.47 -3.51886 49.8603 56.8962 24.6628 -3.97183 22.5527 0.235966 TIMING: 3904200 CPU: 12400.5, 0.0031624/step Wall: 12400.5, 0.0031624/step, 0.962599 hours remaining, 240.027344 MB of memory in use. ENERGY: 3904200 3992.0140 20472.3761 14436.8748 259.4255 -203071.3788 2308.2606 0.0000 0.0000 52327.6931 -109274.7349 300.7280 -161602.4279 -108900.2242 299.8835 -74.4679 -47.3196 760219.1468 3.9531 4.0947 LDB: ============= START OF LOAD BALANCING ============== 12413 LDB: ============== END OF LOAD BALANCING =============== 12413 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12413 LDB: ============= START OF LOAD BALANCING ============== 12413.3 LDB: Largest compute 7056 load 0.035013 is 17.9% of average load 0.195380 LDB: Average compute 0.004384 is 2.2% of average load 0.195380 LDB: TIME 12413.3 LOAD: AVG 0.19538 MAX 0.214011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.82 MB LDB: TIME 12413.3 LOAD: AVG 0.19538 MAX 0.214011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.023 MB LDB: TIME 12413.3 LOAD: AVG 0.19538 MAX 0.214011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.023 MB LDB: ============== END OF LOAD BALANCING =============== 12413.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12413.3 PRESSURE: 3904400 541.933 68.8908 325.323 68.8918 196.151 -20.4568 325.323 -20.4557 422.929 GPRESSURE: 3904400 504.348 96.1448 282.023 -21.7151 286.502 -17.8841 237.703 -32.8393 457.8 PRESSAVG: 3904400 -25.7676 12.8561 8.00635 12.8561 32.768 5.13372 8.00638 5.13358 1.98335 GPRESSAVG: 3904400 -27.3151 13.4352 8.38287 9.39077 34.72 5.01457 8.46734 5.32237 1.57727 TIMING: 3904400 CPU: 12401.2, 0.00324697/step Wall: 12401.2, 0.00324697/step, 0.988162 hours remaining, 240.796875 MB of memory in use. ENERGY: 3904400 3976.8126 20471.1065 14465.4698 258.5121 -202995.4402 2404.5723 0.0000 0.0000 52152.7004 -109266.2665 299.7223 -161418.9669 -108906.0384 299.6338 387.0044 416.2169 759248.5818 2.9946 2.9941 PRESSURE: 3904600 -46.6646 -19.4653 67.4684 -19.465 -133.849 -153.186 67.4685 -153.185 -281.504 GPRESSURE: 3904600 76.6766 65.9573 47.6555 -85.6601 -162.57 -73.2697 215.975 -162.18 -284.777 PRESSAVG: 3904600 -46.1268 -23.4479 18.7124 -23.4479 46.9484 28.0475 18.7124 28.0475 -11.4506 GPRESSAVG: 3904600 -45.4509 -25.0066 18.7235 -22.3955 46.1612 28.9257 17.7224 27.3987 -11.5918 TIMING: 3904600 CPU: 12401.8, 0.00313426/step Wall: 12401.8, 0.00313426/step, 0.953686 hours remaining, 240.796875 MB of memory in use. ENERGY: 3904600 3975.1159 20425.3308 14401.7429 268.9547 -202690.7683 2253.8593 0.0000 0.0000 52127.2941 -109238.4707 299.5763 -161365.7648 -108872.6477 300.0822 -154.0058 -123.5568 759552.4590 -3.5430 -3.6272 PRESSURE: 3904800 294.666 207.956 103.713 207.956 90.037 109.438 103.714 109.438 252.516 GPRESSURE: 3904800 288.466 172.24 39.0256 182.479 203.438 63.4319 87.0695 76.8892 245.812 PRESSAVG: 3904800 -2.31965 29.406 -0.328662 29.4061 23.1278 -17.155 -0.328691 -17.1551 9.90516 GPRESSAVG: 3904800 -2.52852 31.1629 -2.26185 31.3726 22.288 -18.2425 0.43557 -17.7739 10.6554 TIMING: 3904800 CPU: 12402.4, 0.0031447/step Wall: 12402.4, 0.0031447/step, 0.956689 hours remaining, 240.796875 MB of memory in use. ENERGY: 3904800 3973.4776 20569.1540 14486.9434 244.9632 -203031.8753 2649.1156 0.0000 0.0000 51879.9857 -109228.2357 298.1550 -161108.2214 -108868.0284 299.7061 212.4064 245.9053 759783.4660 10.2378 10.1383 PRESSURE: 3905000 231.939 35.8274 199.147 35.8267 -129.065 -134.954 199.146 -134.954 50.3437 GPRESSURE: 3905000 208.894 32.1323 276.953 69.753 -48.7479 -139.892 122.326 -28.9662 79.4564 PRESSAVG: 3905000 8.02998 -5.71059 51.9355 -5.71062 -32.9278 11.0888 51.9354 11.0888 31.1448 GPRESSAVG: 3905000 8.50974 -6.35399 53.3219 -6.95089 -31.984 13.0368 51.2759 11.2413 29.8666 TIMING: 3905000 CPU: 12403, 0.00314559/step Wall: 12403, 0.00314559/step, 0.956785 hours remaining, 240.796875 MB of memory in use. ENERGY: 3905000 3989.5065 20460.9924 14456.6856 235.6892 -202860.6165 2288.1970 0.0000 0.0000 52093.4964 -109336.0494 299.3820 -161429.5457 -108970.9090 299.3713 51.0725 79.8673 760585.0949 2.0823 2.1308 PRESSURE: 3905200 -34.0893 -28.9964 3.13967 -28.9956 108.222 153.069 3.13904 153.069 -285.142 GPRESSURE: 3905200 -35.2751 -28.1551 -3.99762 27.943 187.943 195.823 26.9667 40.8964 -267.883 PRESSAVG: 3905200 -18.2796 -5.51805 -10.3526 -5.518 9.01637 -25.1403 -10.3526 -25.1404 -16.3916 GPRESSAVG: 3905200 -18.957 -7.50227 -9.24247 -4.69504 7.78072 -26.5975 -9.58521 -22.4134 -14.9907 TIMING: 3905200 CPU: 12403.7, 0.00315362/step Wall: 12403.7, 0.00315362/step, 0.95905 hours remaining, 240.796875 MB of memory in use. ENERGY: 3905200 4005.7091 20672.4790 14424.1312 237.2908 -203474.7435 2675.6239 0.0000 0.0000 52289.7212 -109169.7883 300.5097 -161459.5095 -108804.1653 299.9011 -70.3365 -38.4050 760039.0240 -8.5516 -8.7223 PRESSURE: 3905400 329.963 -48.9414 52.4907 -48.9419 89.761 99.4339 52.4907 99.4331 475.527 GPRESSURE: 3905400 429.384 21.9733 70.9062 151.029 100.865 90.3211 100.372 9.96751 452.332 PRESSAVG: 3905400 16.6308 16.0599 -5.27765 16.06 -17.8644 -19.9641 -5.27767 -19.964 6.75263 GPRESSAVG: 3905400 18.0853 16.4598 -6.26686 16.4252 -17.1718 -19.0245 -5.47006 -21.5542 4.89603 TIMING: 3905400 CPU: 12404.3, 0.00316549/step Wall: 12404.3, 0.00316549/step, 0.962484 hours remaining, 240.796875 MB of memory in use. ENERGY: 3905400 4067.1693 20578.2800 14419.5289 248.5132 -203391.4107 2822.5549 0.0000 0.0000 52039.0220 -109216.3424 299.0690 -161255.3644 -108861.6259 300.2668 298.4171 327.5270 759786.1739 1.8397 1.9365 PRESSURE: 3905600 -93.5955 -0.844975 -120.221 -0.844823 2.11534 115.97 -120.221 115.971 -22.7497 GPRESSURE: 3905600 -122.08 -104.621 -56.3154 50.1094 44.446 40.7988 -104.567 46.5533 60.8549 PRESSAVG: 3905600 14.7543 4.41136 -54.6874 4.41135 7.00651 23.0279 -54.6874 23.0279 22.8442 GPRESSAVG: 3905600 13.7494 5.43914 -55.0085 4.06133 6.35899 22.2817 -54.0711 23.0178 24.0419 TIMING: 3905600 CPU: 12404.9, 0.00315025/step Wall: 12404.9, 0.00315025/step, 0.957675 hours remaining, 240.796875 MB of memory in use. ENERGY: 3905600 3933.5743 20382.8545 14431.6056 247.1187 -202909.5614 2373.1197 0.0000 0.0000 52330.5081 -109210.7803 300.7441 -161541.2885 -108843.4942 299.6499 -38.0766 -5.5929 760964.2120 14.8683 14.7168 PRESSURE: 3905800 -484.877 -90.1153 -83.8203 -90.1144 -275.647 311.296 -83.8207 311.296 -274.014 GPRESSURE: 3905800 -476.777 -58.02 -96.4709 -148.805 -232.321 384.684 -163.418 269.746 -247.238 PRESSAVG: 3905800 -6.54903 -22.2411 -50.3163 -22.2411 10.4608 52.8566 -50.3163 52.8565 -18.1395 GPRESSAVG: 3905800 -7.25022 -23.026 -51.144 -22.4336 12.0516 54.1381 -48.6178 51.9377 -18.6295 TIMING: 3905800 CPU: 12405.6, 0.00314229/step Wall: 12405.6, 0.00314229/step, 0.95508 hours remaining, 240.796875 MB of memory in use. ENERGY: 3905800 3999.1885 20547.2998 14410.8052 263.1954 -203326.1542 2523.9325 0.0000 0.0000 52470.0889 -109111.6439 301.5463 -161581.7329 -108748.3623 299.6559 -344.8461 -318.7789 760861.9999 -4.7426 -4.6094 PRESSURE: 3906000 71.4363 172.335 -45.8404 172.335 90.3671 76.6703 -45.8406 76.6707 -475.919 GPRESSURE: 3906000 62.9099 118.625 4.03819 162.158 68.6059 83.0066 -62.8439 62.9301 -367.577 PRESSAVG: 3906000 -0.538378 1.63578 13.3082 1.63587 -28.2042 20.7514 13.3083 20.7514 11.936 GPRESSAVG: 3906000 1.22863 2.20045 14.8513 1.07419 -29.0737 17.3103 8.35083 22.4353 11.3956 TIMING: 3906000 CPU: 12406.2, 0.0031511/step Wall: 12406.2, 0.0031511/step, 0.957586 hours remaining, 240.796875 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: 3906000 3962.0934 20481.5747 14413.1442 240.2012 -202886.0043 2455.8247 0.0000 0.0000 52118.0856 -109215.0805 299.5234 -161333.1662 -108853.3170 300.0660 -104.7052 -78.6871 761733.8534 -5.6022 -5.4832 PRESSURE: 3906200 -54.5474 -58.6976 193.26 -58.6984 184.459 -136.537 193.261 -136.537 175.791 GPRESSURE: 3906200 -10.8514 -5.58583 164.16 -23.6029 220.003 -152.797 184.253 -56.259 169.458 PRESSAVG: 3906200 15.4471 61.8582 -18.0864 61.8582 -38.2476 14.5391 -18.0864 14.5391 13.3501 GPRESSAVG: 3906200 16.1194 62.0282 -20.1147 63.1245 -38.4204 15.1687 -14.1394 15.936 13.0192 TIMING: 3906200 CPU: 12406.8, 0.00315651/step Wall: 12406.8, 0.00315651/step, 0.959053 hours remaining, 240.796875 MB of memory in use. ENERGY: 3906200 3910.0048 20397.9997 14479.1891 244.7784 -203301.5279 2793.1852 0.0000 0.0000 52119.7176 -109356.6530 299.5327 -161476.3706 -108998.0689 299.3919 101.9009 126.2034 761993.3376 -3.1501 -3.0939 PRESSURE: 3906400 -218.869 219.912 -15.4562 219.912 -170.353 135.339 -15.4563 135.338 -210.717 GPRESSURE: 3906400 -250.048 285.199 -40.5893 65.2283 -94.5939 90.2451 -54.857 129.437 -177.368 PRESSAVG: 3906400 -16.7126 32.3991 -6.73145 32.3991 26.2634 30.2446 -6.73149 30.2447 -19.362 GPRESSAVG: 3906400 -17.0763 32.0484 -6.14235 31.6714 26.45 30.8645 -10.3203 29.4679 -18.6609 TIMING: 3906400 CPU: 12407.5, 0.00313634/step Wall: 12407.5, 0.00313634/step, 0.95275 hours remaining, 240.796875 MB of memory in use. ENERGY: 3906400 4093.6602 20554.2166 14442.2124 250.2855 -203060.6414 2466.1953 0.0000 0.0000 51898.7336 -109355.3379 298.2627 -161254.0715 -109006.1497 299.3257 -199.9796 -174.0032 763129.7478 -3.2704 -3.0957 PRESSURE: 3906600 38.9203 29.2724 -80.006 29.273 45.2784 105.326 -80.0057 105.326 -127.79 GPRESSURE: 3906600 105.468 -6.27119 -83.3315 -85.2378 51.7771 70.126 33.2533 104.965 -121.165 PRESSAVG: 3906600 -43.0979 -2.88939 13.0665 -2.88943 13.0928 -25.727 13.0664 -25.727 24.111 GPRESSAVG: 3906600 -44.9254 -3.58527 11.2486 -2.66559 13.9338 -25.1601 16.8265 -25.9647 24.6582 TIMING: 3906600 CPU: 12408.1, 0.00311352/step Wall: 12408.1, 0.00311352/step, 0.945647 hours remaining, 240.796875 MB of memory in use. ENERGY: 3906600 3944.6500 20408.9367 14452.2669 260.1587 -203528.1955 2717.0596 0.0000 0.0000 52315.4710 -109429.6526 300.6577 -161745.1236 -109062.4309 299.1150 -14.5305 12.0268 761482.6740 -1.9647 -2.1111 PRESSURE: 3906800 -131.779 7.48645 -74.005 7.48735 -30.1167 32.4443 -74.0051 32.4456 -41.9979 GPRESSURE: 3906800 -79.1393 94.4098 -40.4521 28.273 -8.80339 7.58732 -5.62629 8.74872 -19.1561 PRESSAVG: 3906800 -3.17777 48.881 45.134 48.881 -20.3207 84.0161 45.134 84.0162 -10.1265 GPRESSAVG: 3906800 -0.168845 49.3757 47.1206 50.8679 -22.2212 83.9627 43.0929 82.9075 -11.0306 TIMING: 3906800 CPU: 12408.7, 0.00313529/step Wall: 12408.7, 0.00313529/step, 0.952085 hours remaining, 240.796875 MB of memory in use. ENERGY: 3906800 4033.8689 20641.7464 14436.7337 249.4316 -202884.2592 2414.5547 0.0000 0.0000 51804.7352 -109303.1886 297.7225 -161107.9238 -108943.0150 299.2259 -67.9646 -35.6996 762835.4495 -11.2083 -11.1402 PRESSURE: 3907000 194.186 -40.3316 -128.481 -40.3316 64.7312 -92.0708 -128.482 -92.0717 -87.9544 GPRESSURE: 3907000 202.842 -51.3555 -140.098 -72.9842 145.791 -77.8822 -168.171 -99.8971 -96.9775 PRESSAVG: 3907000 46.5754 63.9822 -35.6724 63.9821 -50.1794 46.1961 -35.6724 46.1961 4.05639 GPRESSAVG: 3907000 44.6167 63.8582 -36.3994 61.812 -48.306 46.1532 -35.4101 46.0935 4.65561 TIMING: 3907000 CPU: 12409.3, 0.00313625/step Wall: 12409.3, 0.00313625/step, 0.9522 hours remaining, 240.796875 MB of memory in use. ENERGY: 3907000 4009.0108 20553.7530 14456.6887 236.4041 -203017.8632 2422.4498 0.0000 0.0000 51955.5134 -109384.0433 298.5890 -161339.5568 -109013.1545 299.1332 56.9877 83.8851 760554.4247 0.1508 0.3221 PRESSURE: 3907200 138.908 -160.805 -4.73479 -160.806 381.812 82.059 -4.73505 82.0595 -353.488 GPRESSURE: 3907200 181.242 -73.4208 -52.2135 -149.795 335.906 69.2188 -84.4557 88.5561 -275.524 PRESSAVG: 3907200 58.8046 -20.535 7.85992 -20.535 -16.8826 -31.2682 7.85998 -31.2682 2.37247 GPRESSAVG: 3907200 57.656 -19.6285 8.75255 -19.5245 -17.3878 -30.466 7.1524 -30.896 3.93032 TIMING: 3907200 CPU: 12410, 0.00315158/step Wall: 12410, 0.00315159/step, 0.956681 hours remaining, 240.796875 MB of memory in use. ENERGY: 3907200 4023.8982 20433.5909 14432.6475 248.4972 -203527.6788 2747.2901 0.0000 0.0000 52044.1987 -109597.5562 299.0987 -161641.7549 -109226.6005 299.2373 55.7440 80.5411 761313.1786 14.7648 14.7328 PRESSURE: 3907400 348.77 13.8584 -36.4076 13.8585 126.164 -55.7846 -36.4075 -55.7844 -132.521 GPRESSURE: 3907400 346.116 -182.433 66.0967 14.0131 207.122 -3.35153 -73.9448 -44.6524 -115.043 PRESSAVG: 3907400 68.7134 4.70741 -3.01267 4.70738 -25.0968 18.7691 -3.01273 18.769 -16.5295 GPRESSAVG: 3907400 69.2563 1.23729 -3.90137 5.02433 -24.9228 17.6704 -2.33799 17.1768 -16.9974 TIMING: 3907400 CPU: 12410.6, 0.00314976/step Wall: 12410.6, 0.00314976/step, 0.955952 hours remaining, 240.796875 MB of memory in use. ENERGY: 3907400 4004.3774 20377.0148 14452.8185 257.7822 -203293.7405 2524.8796 0.0000 0.0000 51964.6743 -109712.1937 298.6417 -161676.8681 -109353.9296 298.8502 114.1379 146.0652 761736.5853 9.0290 9.1120 PRESSURE: 3907600 -103.822 39.5512 64.602 39.5512 157.25 -79.575 64.6019 -79.5749 139.314 GPRESSURE: 3907600 -88.276 52.6046 64.4487 -68.4624 230.357 -119.992 154.497 -112.92 144.323 PRESSAVG: 3907600 -3.87424 23.6599 20.8116 23.6599 4.1386 -0.657299 20.8116 -0.657203 12.2074 GPRESSAVG: 3907600 -4.20559 27.2101 21.2027 22.4203 4.39763 -0.451344 18.8812 -0.527401 11.9374 TIMING: 3907600 CPU: 12411.2, 0.00317489/step Wall: 12411.2, 0.00317489/step, 0.963402 hours remaining, 240.796875 MB of memory in use. ENERGY: 3907600 3953.7691 20502.5407 14392.2932 265.3113 -203366.6613 2649.9948 0.0000 0.0000 52122.0069 -109480.7453 299.5459 -161602.7522 -109120.2738 299.5063 64.2472 95.4679 761407.5806 4.1573 4.0432 PRESSURE: 3907800 -3.49113 15.4193 -23.0308 15.4198 -405.213 -143.091 -23.0315 -143.09 -472.271 GPRESSURE: 3907800 -72.2828 60.4452 67.4343 -27.0557 -346.879 -95.1576 5.96146 -185.921 -382.7 PRESSAVG: 3907800 3.11304 2.14513 -12.4108 2.14511 19.6567 -25.3792 -12.4107 -25.3792 -26.7108 GPRESSAVG: 3907800 2.8922 0.237198 -11.9699 3.39461 19.4097 -24.8864 -12.5976 -22.3593 -26.0459 TIMING: 3907800 CPU: 12411.9, 0.003196/step Wall: 12411.9, 0.003196/step, 0.969631 hours remaining, 240.796875 MB of memory in use. ENERGY: 3907800 3982.9655 20524.5964 14395.5503 229.1247 -203276.7824 2510.4683 0.0000 0.0000 52096.4956 -109537.5815 299.3993 -161634.0772 -109181.8917 299.2186 -293.6584 -267.2872 762244.2978 -1.3137 -1.2480 PRESSURE: 3908000 -386.222 149.251 116.343 149.251 152.634 -155.507 116.343 -155.507 11.5132 GPRESSURE: 3908000 -320.284 124.66 136.642 207.953 127.559 -94.1058 82.6151 -73.0765 51.2717 PRESSAVG: 3908000 17.0167 8.68378 -60.7351 8.68382 -13.1652 -5.46004 -60.7351 -5.46002 27.6797 GPRESSAVG: 3908000 17.7855 10.4603 -61.3944 7.85778 -13.6931 -6.01736 -59.4526 -6.57032 27.306 TIMING: 3908000 CPU: 12412.5, 0.00315505/step Wall: 12412.5, 0.00315504/step, 0.95703 hours remaining, 240.796875 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: 3908000 4020.2667 20532.1172 14418.3020 261.1420 -203492.7533 2519.1042 0.0000 0.0000 52039.6703 -109702.1509 299.0727 -161741.8213 -109342.3616 299.2251 -74.0249 -47.1512 761262.2216 10.5104 10.4662 PRESSURE: 3908200 37.1518 -57.822 88.7584 -57.8207 42.9888 23.439 88.7588 23.4382 -81.907 GPRESSURE: 3908200 71.5122 -50.4015 42.0374 -127.934 44.3464 -40.5431 52.6544 121.705 -45.0052 PRESSAVG: 3908200 -8.81193 3.03929 -32.4351 3.03933 31.2584 22.0912 -32.4351 22.0913 -5.99784 GPRESSAVG: 3908200 -9.43742 2.11757 -33.5419 5.79214 31.1356 25.2446 -31.0568 20.7608 -5.70913 TIMING: 3908200 CPU: 12413.1, 0.00318092/step Wall: 12413.1, 0.00318092/step, 0.964703 hours remaining, 240.796875 MB of memory in use. ENERGY: 3908200 3996.7783 20595.2831 14422.1971 240.4844 -203348.8044 2499.5371 0.0000 0.0000 51864.7174 -109729.8070 298.0672 -161594.5243 -109369.8524 298.5480 -0.5888 23.6178 761037.5870 5.4829 5.3297 LDB: ============= START OF LOAD BALANCING ============== 12425.6 LDB: ============== END OF LOAD BALANCING =============== 12425.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12425.6 LDB: ============= START OF LOAD BALANCING ============== 12425.9 LDB: Largest compute 7056 load 0.034717 is 17.8% of average load 0.195523 LDB: Average compute 0.004366 is 2.2% of average load 0.195523 LDB: TIME 12425.9 LOAD: AVG 0.195523 MAX 0.213393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.312 MB LDB: TIME 12425.9 LOAD: AVG 0.195523 MAX 0.213393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.406 MB LDB: TIME 12425.9 LOAD: AVG 0.195523 MAX 0.213393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.406 MB LDB: ============== END OF LOAD BALANCING =============== 12425.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12425.9 PRESSURE: 3908400 118.805 197.708 -147.737 197.708 -22.8917 -47.1066 -147.738 -47.1069 17.9657 GPRESSURE: 3908400 0.926768 157.527 -173.404 178.905 45.0841 -62.0506 -138.705 -45.2336 132.535 PRESSAVG: 3908400 13.713 70.9842 -2.34196 70.9841 -62.0081 -43.3119 -2.34197 -43.3118 5.34049 GPRESSAVG: 3908400 14.0094 72.7546 -1.34588 67.3022 -61.5193 -45.3078 -4.40224 -42.8613 4.13657 TIMING: 3908400 CPU: 12413.8, 0.00322832/step Wall: 12413.8, 0.00322832/step, 0.978897 hours remaining, 239.015625 MB of memory in use. ENERGY: 3908400 3908.1747 20505.3714 14430.0648 256.0111 -203137.4342 2431.4372 0.0000 0.0000 52123.8366 -109482.5384 299.5564 -161606.3750 -109116.3519 299.4259 37.9596 59.5155 763109.7161 -14.3182 -14.4578 PRESSURE: 3908600 279.401 -131.81 -99.0804 -131.81 -30.7081 146.412 -99.08 146.412 75.2111 GPRESSURE: 3908600 407.179 -75.1932 -78.0445 -80.9756 -44.5173 129.309 6.2783 124.731 69.2736 PRESSAVG: 3908600 -18.6737 31.0568 -36.579 31.0568 51.2903 -22.4611 -36.579 -22.4611 11.6659 GPRESSAVG: 3908600 -18.329 28.8132 -35.6476 32.744 51.2784 -23.4254 -35.4524 -21.7159 11.9515 TIMING: 3908600 CPU: 12414.4, 0.00317419/step Wall: 12414.4, 0.00317419/step, 0.962308 hours remaining, 239.015625 MB of memory in use. ENERGY: 3908600 3993.9927 20537.7150 14460.5761 231.0346 -203360.4076 2433.5019 0.0000 0.0000 52219.9064 -109483.6810 300.1085 -161703.5874 -109116.3946 298.9060 107.9680 143.9783 759905.5453 14.7608 14.9670 PRESSURE: 3908800 -221.319 109.241 -130.484 109.242 301.301 -160.227 -130.484 -160.227 -12.8886 GPRESSURE: 3908800 -193.753 124.057 -103.099 152.193 318.456 -138.441 -88.1939 -174.356 21.7731 PRESSAVG: 3908800 25.5072 6.95092 -82.85 6.95091 5.80051 -8.88999 -82.85 -8.89007 -2.25941 GPRESSAVG: 3908800 25.5887 7.80778 -82.304 6.45484 5.92909 -8.53546 -84.3831 -10.2425 -2.50706 TIMING: 3908800 CPU: 12415.1, 0.00319127/step Wall: 12415.1, 0.00319127/step, 0.967309 hours remaining, 239.015625 MB of memory in use. ENERGY: 3908800 3889.9346 20584.2203 14479.8777 245.7500 -203247.1716 2333.7873 0.0000 0.0000 52124.7639 -109588.8378 299.5617 -161713.6017 -109225.9903 299.1168 22.3642 48.8256 760787.5692 9.6828 9.6702 PRESSURE: 3909000 -189.155 -10.2007 191.826 -10.2008 71.2558 -75.9449 191.826 -75.9445 80.9066 GPRESSURE: 3909000 -121.447 -68.3534 295.835 -48.1331 43.7779 -52.3519 87.6277 -54.2654 119.125 PRESSAVG: 3909000 -12.5501 4.84263 -5.27714 4.84263 41.9877 -16.3288 -5.27721 -16.3288 -3.53338 GPRESSAVG: 3909000 -11.3757 2.87105 -5.74861 7.02512 40.6059 -16.8205 -3.16669 -14.8961 -3.31053 TIMING: 3909000 CPU: 12415.7, 0.00317289/step Wall: 12415.7, 0.00317289/step, 0.961561 hours remaining, 239.015625 MB of memory in use. ENERGY: 3909000 3932.0530 20569.8070 14540.1632 242.9816 -203418.4419 2591.0065 0.0000 0.0000 52057.0625 -109485.3680 299.1727 -161542.4305 -109129.2311 299.2589 -12.3308 13.8185 760986.3132 8.6348 8.6399 PRESSURE: 3909200 159.257 -144.129 -77.1166 -144.13 -0.406056 243.043 -77.1171 243.042 25.7634 GPRESSURE: 3909200 117.236 -130.212 -30.222 -179.136 126.523 294.707 -91.0616 86.504 39.5434 PRESSAVG: 3909200 19.4372 15.6249 35.1328 15.6248 -11.6843 56.7814 35.1327 56.7814 7.51782 GPRESSAVG: 3909200 17.3869 18.026 35.2301 13.7828 -10.8746 59.9179 32.7199 54.8307 8.90036 TIMING: 3909200 CPU: 12416.3, 0.00316243/step Wall: 12416.3, 0.00316243/step, 0.958217 hours remaining, 239.015625 MB of memory in use. ENERGY: 3909200 4056.9916 20637.9377 14425.4187 229.3561 -203663.0576 2784.3862 0.0000 0.0000 52167.1507 -109361.8166 299.8053 -161528.9673 -108997.9045 299.5941 61.5380 94.4340 760854.1952 5.0902 5.1375 PRESSURE: 3909400 -241.348 69.8429 -63.0561 69.8434 325.599 77.3237 -63.055 77.3238 -146.232 GPRESSURE: 3909400 -273.54 165.656 -75.8436 117.298 393.89 83.6541 87.3509 126.174 -111.303 PRESSAVG: 3909400 -12.7141 -11.1241 -0.443468 -11.1241 29.1859 49.5585 -0.443463 49.5584 7.08859 GPRESSAVG: 3909400 -12.2312 -11.0147 -0.299699 -12.0811 28.4287 46.6441 0.889891 50.3301 7.32015 TIMING: 3909400 CPU: 12417, 0.0031581/step Wall: 12417, 0.00315809/step, 0.956727 hours remaining, 239.015625 MB of memory in use. ENERGY: 3909400 3987.4411 20438.8906 14452.5579 240.5685 -203191.8972 2526.7377 0.0000 0.0000 52212.7633 -109332.9379 300.0675 -161545.7012 -108961.5560 299.6718 -20.6603 3.0159 760569.7421 7.8535 7.8392 PRESSURE: 3909600 -53.4357 1.16251 -4.78242 1.1622 175.135 -148.063 -4.78224 -148.063 -241.943 GPRESSURE: 3909600 -17.8933 -37.0929 -37.9433 -20.5845 158.821 -143.426 -45.3953 -58.9923 -173.592 PRESSAVG: 3909600 13.5664 47.2122 -85.4745 47.2122 7.96541 49.1422 -85.4744 49.1422 18.1823 GPRESSAVG: 3909600 13.3915 46.3618 -85.7219 48.973 7.80287 49.5333 -84.0341 49.0954 17.916 TIMING: 3909600 CPU: 12417.6, 0.00313412/step Wall: 12417.6, 0.00313412/step, 0.949291 hours remaining, 239.015625 MB of memory in use. ENERGY: 3909600 4033.9862 20416.9793 14504.9403 261.7068 -203300.9230 2424.8008 0.0000 0.0000 52226.9797 -109431.5298 300.1492 -161658.5096 -109067.2757 299.5128 -40.0813 -10.8881 760278.8183 13.2380 13.0368 PRESSURE: 3909800 52.18 -307.973 60.1444 -307.974 -311.675 -30.1582 60.1437 -30.1588 197.2 GPRESSURE: 3909800 65.2661 -263.656 68.841 -164.033 -256.604 -101.191 -2.08827 -2.00381 224.379 PRESSAVG: 3909800 -50.1696 -63.535 20.8832 -63.535 41.9866 -22.1324 20.8831 -22.1323 7.01477 GPRESSAVG: 3909800 -49.7862 -63.7152 20.7749 -62.8116 42.484 -21.1475 19.3606 -21.5373 6.17486 TIMING: 3909800 CPU: 12418.2, 0.00315296/step Wall: 12418.2, 0.00315296/step, 0.954821 hours remaining, 239.015625 MB of memory in use. ENERGY: 3909800 4019.7658 20486.6515 14404.0130 247.7669 -203225.9491 2456.9637 0.0000 0.0000 51883.9848 -109726.8034 298.1780 -161610.7882 -109368.4796 299.1779 -20.7649 11.0139 760482.8678 -0.3894 -0.3758 PRESSURE: 3910000 58.1717 -15.2851 26.5144 -15.2846 -196.623 -104.642 26.5145 -104.642 -92.8349 GPRESSURE: 3910000 51.5103 -102.189 93.2823 -145.007 -181.863 -123.454 -120.082 -64.8158 -18.9602 PRESSAVG: 3910000 -67.521 -26.1456 -7.60584 -26.1456 14.7893 49.2499 -7.60588 49.2498 26.3549 GPRESSAVG: 3910000 -66.1668 -26.972 -5.64289 -28.3653 13.7975 48.0567 -7.23998 48.1756 26.1415 TIMING: 3910000 CPU: 12418.8, 0.00313739/step Wall: 12418.8, 0.00313739/step, 0.949931 hours remaining, 239.015625 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: 3910000 3986.5759 20552.2268 14510.6326 231.8364 -203849.2582 2817.2101 0.0000 0.0000 52109.8824 -109640.8941 299.4762 -161750.7765 -109278.6037 298.9754 -77.0954 -49.7710 760541.0197 -8.7923 -8.7426 PRESSURE: 3910200 448.719 -58.7616 29.6844 -58.7612 391.852 27.1575 29.6835 27.1579 277.329 GPRESSURE: 3910200 486.771 -52.2075 -14.4357 -1.775 399.07 46.1105 -112.109 34.5891 307.379 PRESSAVG: 3910200 14.0318 -14.7827 -20.0968 -14.7827 38.3679 12.3567 -20.0968 12.3567 -18.1746 GPRESSAVG: 3910200 13.32 -12.8155 -22.3224 -13.6631 38.1921 12.9542 -19.8768 13.2512 -17.099 TIMING: 3910200 CPU: 12419.5, 0.00314886/step Wall: 12419.5, 0.00314886/step, 0.953229 hours remaining, 239.015625 MB of memory in use. ENERGY: 3910200 3960.1951 20464.3886 14396.9297 255.2067 -203532.7961 2791.9741 0.0000 0.0000 51951.0479 -109713.0540 298.5634 -161664.1019 -109339.2365 299.0955 372.6331 397.7399 759705.6721 11.4083 11.4711 PRESSURE: 3910400 -347.392 127.96 -324.353 127.959 -57.4159 -177.457 -324.354 -177.456 163.627 GPRESSURE: 3910400 -341.006 168.731 -272.313 49.5011 11.9713 -85.9167 -243.135 -202.636 168.728 PRESSAVG: 3910400 -47.8917 4.18234 -18.444 4.18231 33.9308 15.9082 -18.444 15.9082 10.6958 GPRESSAVG: 3910400 -48.621 4.47124 -16.7255 3.09985 35.4523 15.3843 -18.6674 16.7894 10.2313 TIMING: 3910400 CPU: 12420.1, 0.00314194/step Wall: 12420.1, 0.00314194/step, 0.95096 hours remaining, 239.015625 MB of memory in use. ENERGY: 3910400 4023.2090 20709.9263 14377.5211 236.0258 -203324.2520 2378.3728 0.0000 0.0000 52036.1953 -109563.0017 299.0527 -161599.1970 -109202.3410 298.7870 -80.3936 -53.4354 760169.8074 -1.0884 -0.9791 PRESSURE: 3910600 122.199 60.4215 -42.8582 60.422 -85.7922 121.886 -42.8589 121.886 -48.6436 GPRESSURE: 3910600 134.544 17.8027 69.0376 -23.8613 -65.6252 118.413 -183.66 156.082 2.11102 PRESSAVG: 3910600 -28.2344 14.1893 36.8172 14.1893 26.0676 11.9438 36.8172 11.9438 0.676465 GPRESSAVG: 3910600 -28.0614 13.9564 34.5318 14.6458 26.5096 10.9965 34.7652 12.307 0.353023 TIMING: 3910600 CPU: 12420.7, 0.00315198/step Wall: 12420.7, 0.00315198/step, 0.953824 hours remaining, 239.015625 MB of memory in use. ENERGY: 3910600 4022.4659 20598.6307 14450.0110 234.8287 -203509.8504 2710.8648 0.0000 0.0000 51910.8254 -109582.2239 298.3322 -161493.0493 -109231.8765 299.0719 -4.0790 23.6765 760910.7566 -0.4968 -0.3996 PRESSURE: 3910800 153.932 137.43 254.589 137.431 245.278 -33.3759 254.589 -33.3762 -398.611 GPRESSURE: 3910800 229.038 221.858 162.159 27.7406 195.651 -66.5598 252.262 -80.2451 -339.047 PRESSAVG: 3910800 15.7819 -23.6863 8.15361 -23.6862 34.7509 38.7098 8.15363 38.7098 17.663 GPRESSAVG: 3910800 15.2715 -26.2218 9.91639 -23.6959 35.1072 40.9401 9.11401 36.4789 18.4737 TIMING: 3910800 CPU: 12421.4, 0.00317894/step Wall: 12421.4, 0.00317893/step, 0.961804 hours remaining, 239.015625 MB of memory in use. ENERGY: 3910800 4060.8261 20451.6889 14432.9228 240.8793 -203399.4642 2726.6329 0.0000 0.0000 51934.9913 -109551.5229 298.4711 -161486.5143 -109186.0706 299.2800 0.1997 28.5472 760258.4541 22.7319 22.9508 PRESSURE: 3911000 7.12639 -15.0804 -50.1738 -15.08 -286.922 262.055 -50.1742 262.055 -604.826 GPRESSURE: 3911000 6.3696 83.065 -190.739 95.2781 -262.792 189.545 43.8733 189.908 -564.812 PRESSAVG: 3911000 14.485 29.0541 -21.3459 29.0541 -22.0105 41.2649 -21.3459 41.2649 12.6774 GPRESSAVG: 3911000 14.629 31.7363 -23.0637 29.024 -22.5916 42.4135 -19.1397 42.2329 13.0267 TIMING: 3911000 CPU: 12422, 0.00316769/step Wall: 12422, 0.00316769/step, 0.958227 hours remaining, 239.015625 MB of memory in use. ENERGY: 3911000 4073.6131 20519.2539 14408.2996 259.3165 -203112.7128 2350.6612 0.0000 0.0000 52083.0076 -109418.5609 299.3218 -161501.5684 -109059.3669 299.3451 -294.8738 -273.7449 761332.6964 1.7173 1.6880 PRESSURE: 3911200 -163.301 -221.096 -67.6383 -221.096 37.0217 59.6575 -67.6377 59.6588 104.485 GPRESSURE: 3911200 -89.3037 -288.889 -119.759 -151.04 34.9277 69.9012 -82.2445 87.4424 109.375 PRESSAVG: 3911200 54.296 32.2544 -24.5081 32.2544 -33.7214 32.6373 -24.5081 32.6374 7.80583 GPRESSAVG: 3911200 55.6755 30.2809 -24.3367 33.3913 -34.5786 31.2905 -25.7376 32.3965 7.63349 TIMING: 3911200 CPU: 12422.6, 0.00315995/step Wall: 12422.6, 0.00315995/step, 0.955709 hours remaining, 239.015625 MB of memory in use. ENERGY: 3911200 3994.4257 20568.5667 14450.9482 238.0682 -203216.9807 2469.7012 0.0000 0.0000 52052.3562 -109442.9144 299.1456 -161495.2706 -109080.0636 299.6337 -7.2646 18.3330 760620.8236 9.4601 9.5768 PRESSURE: 3911400 50.1402 -39.9851 -122.074 -39.9852 -273.686 -243.375 -122.074 -243.375 -215.588 GPRESSURE: 3911400 137.756 -25.9511 -105.569 5.561 -250.751 -148.397 -69.4648 -215.482 -252.173 PRESSAVG: 3911400 -5.02848 12.8543 -17.2486 12.8543 -8.10598 6.45186 -17.2486 6.45191 11.1356 GPRESSAVG: 3911400 -4.85838 15.8167 -16.7857 10.9369 -7.90952 5.79208 -16.733 8.10026 10.4405 TIMING: 3911400 CPU: 12423.3, 0.00317628/step Wall: 12423.3, 0.00317628/step, 0.960472 hours remaining, 239.015625 MB of memory in use. ENERGY: 3911400 3991.5083 20464.6852 14409.8855 244.3694 -203293.6841 2533.1333 0.0000 0.0000 52104.4611 -109545.6413 299.4451 -161650.1024 -109179.9113 299.1195 -146.3779 -121.7224 762147.8927 -0.6663 -0.7758 PRESSURE: 3911600 222.656 -41.9788 -120.424 -41.9787 134.096 68.8963 -120.424 68.8963 161.108 GPRESSURE: 3911600 336.808 -4.35402 -106.125 12.4039 9.3988 -10.0909 -42.0374 43.6793 224.092 PRESSAVG: 3911600 34.3523 10.1623 -35.416 10.1623 -40.5308 25.4594 -35.416 25.4594 1.88227 GPRESSAVG: 3911600 34.4874 9.37424 -33.8041 10.0715 -40.8583 26.4704 -35.6093 23.2239 2.12257 TIMING: 3911600 CPU: 12423.9, 0.00317058/step Wall: 12423.9, 0.00317058/step, 0.958571 hours remaining, 239.015625 MB of memory in use. ENERGY: 3911600 3961.1880 20413.3101 14383.4078 236.9050 -203376.5577 2630.6857 0.0000 0.0000 52231.2601 -109519.8011 300.1738 -161751.0612 -109157.5921 299.0653 172.6199 190.0996 760530.3011 -1.4321 -1.4161 PRESSURE: 3911800 121.637 -140.787 43.9018 -140.787 -52.8442 250.154 43.9027 250.155 111.271 GPRESSURE: 3911800 118.862 -174.41 63.1567 -90.4295 -11.4983 236.77 -192.161 158.06 153.176 PRESSAVG: 3911800 24.1464 14.7265 25.717 14.7266 -53.1115 19.1526 25.717 19.1527 -6.60892 GPRESSAVG: 3911800 22.4186 12.8666 24.3666 16.5821 -51.5713 20.2006 24.1615 19.7813 -6.08244 TIMING: 3911800 CPU: 12424.5, 0.00314715/step Wall: 12424.5, 0.00314715/step, 0.951313 hours remaining, 239.015625 MB of memory in use. ENERGY: 3911800 4025.9122 20536.9975 14399.4704 243.1220 -203231.8581 2611.0904 0.0000 0.0000 51998.4650 -109416.8006 298.8359 -161415.2656 -109077.5906 299.8068 60.0215 86.8467 760905.5207 -11.8580 -11.7450 PRESSURE: 3912000 317.616 58.5931 215.531 58.593 81.4583 -125.496 215.531 -125.495 128.928 GPRESSURE: 3912000 328.337 57.3732 231.875 61.2739 172.554 -30.305 131.022 -62.1866 105.714 PRESSAVG: 3912000 5.2301 23.5441 12.6956 23.5441 -41.1681 44.6339 12.6956 44.6339 -19.9431 GPRESSAVG: 3912000 7.32371 23.7426 13.0247 22.168 -42.3396 43.3796 13.6723 45.5556 -20.8023 TIMING: 3912000 CPU: 12425.2, 0.00316762/step Wall: 12425.2, 0.00316762/step, 0.957326 hours remaining, 239.015625 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: 3912000 3989.2207 20565.3536 14492.3119 259.7908 -203327.7330 2504.8243 0.0000 0.0000 52269.6385 -109246.5932 300.3943 -161516.2317 -108886.7883 299.8718 176.0009 202.2017 760723.0730 -18.6270 -18.6061 PRESSURE: 3912200 -1.85616 -50.3074 73.5757 -50.3076 77.2785 -85.4551 73.575 -85.4557 49.9438 GPRESSURE: 3912200 21.5927 -107.235 152.677 -184.295 113.785 -13.8217 140.481 -136.668 41.2864 PRESSAVG: 3912200 -10.894 -25.5868 24.0843 -25.5868 -10.6571 15.3266 24.0843 15.3266 -23.485 GPRESSAVG: 3912200 -11.9454 -23.6429 25.3651 -25.4517 -9.74823 15.7411 25.5625 13.8964 -24.0433 TIMING: 3912200 CPU: 12425.8, 0.00315363/step Wall: 12425.8, 0.00315363/step, 0.952921 hours remaining, 239.015625 MB of memory in use. ENERGY: 3912200 4038.4962 20616.3558 14449.9440 231.9338 -203231.9873 2464.3733 0.0000 0.0000 52097.4411 -109333.4431 299.4047 -161430.8842 -108976.8206 300.0690 41.7887 58.8882 760059.8801 -15.0120 -15.2456 LDB: ============= START OF LOAD BALANCING ============== 12438.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12438.2 LDB: =============== DONE WITH MIGRATION ================ 12438.2 LDB: ============= START OF LOAD BALANCING ============== 12438.6 LDB: Largest compute 7073 load 0.034743 is 17.8% of average load 0.195464 LDB: Average compute 0.004359 is 2.2% of average load 0.195464 LDB: TIME 12438.6 LOAD: AVG 0.195464 MAX 0.215542 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 12438.6 LOAD: AVG 0.195464 MAX 0.215542 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 12438.6 LOAD: AVG 0.195464 MAX 0.215542 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 12438.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12438.6 PRESSURE: 3912400 171.611 82.0131 -50.7111 82.0129 -43.5924 371.808 -50.712 371.808 -3.01833 GPRESSURE: 3912400 198.044 19.1209 -50.851 169.036 7.7009 401.877 -78.084 320.661 6.23443 PRESSAVG: 3912400 33.4399 1.60357 3.83208 1.60362 -47.917 -3.35583 3.83207 -3.35582 -8.55478 GPRESSAVG: 3912400 33.5351 -1.35395 2.87349 1.2567 -48.8085 -2.95569 1.97596 -3.70967 -7.29283 TIMING: 3912400 CPU: 12426.4, 0.00322092/step Wall: 12426.4, 0.00322092/step, 0.973077 hours remaining, 239.324219 MB of memory in use. ENERGY: 3912400 4019.0445 20540.9176 14428.2859 243.6759 -203037.2783 2199.4588 0.0000 0.0000 52223.1292 -109382.7664 300.1270 -161605.8956 -109028.9861 299.6521 41.6668 70.6597 760145.7246 -7.6773 -7.5221 PRESSURE: 3912600 -320.002 40.6286 -95.9638 40.6281 -108.284 -266.281 -95.9644 -266.281 -30.3479 GPRESSURE: 3912600 -248.831 100.688 -124.074 119.787 -97.3379 -321.958 -33.3518 -91.5674 -29.1513 PRESSAVG: 3912600 -2.34909 -2.5687 1.54167 -2.56869 -45.7427 20.8495 1.54167 20.8495 -22.907 GPRESSAVG: 3912600 -4.23482 -0.996288 0.970521 -1.41676 -44.648 21.6377 2.59339 20.5238 -23.0088 TIMING: 3912600 CPU: 12427.1, 0.00313499/step Wall: 12427.1, 0.00313499/step, 0.946941 hours remaining, 239.324219 MB of memory in use. ENERGY: 3912600 4075.8222 20593.8800 14427.8210 266.7235 -203119.6939 2500.1181 0.0000 0.0000 52013.2675 -109242.0617 298.9210 -161255.3291 -108887.7578 300.0320 -152.8779 -125.1067 761860.4750 -23.6663 -23.9639 PRESSURE: 3912800 361.132 35.6146 32.2245 35.6148 -57.8683 -50.3831 32.2251 -50.3827 -234.861 GPRESSURE: 3912800 362.329 -87.8932 42.7654 86.1401 -8.84014 -99.628 27.3502 -81.087 -194.998 PRESSAVG: 3912800 -23.2971 18.7616 -40.5296 18.7616 -51.4632 -0.119337 -40.5296 -0.119274 13.86 GPRESSAVG: 3912800 -22.6662 17.4606 -39.7776 18.6472 -51.9214 -0.197073 -40.153 2.36591 13.6516 TIMING: 3912800 CPU: 12427.7, 0.00315951/step Wall: 12427.7, 0.00315951/step, 0.954171 hours remaining, 239.324219 MB of memory in use. ENERGY: 3912800 4028.4289 20606.9843 14431.7026 240.8474 -202977.6623 2436.7299 0.0000 0.0000 52198.8362 -109034.1330 299.9874 -161232.9692 -108669.2933 299.7875 22.8008 52.8305 762313.7631 -20.3001 -20.3120 PRESSURE: 3913000 60.6714 35.5319 183.999 35.5309 105.057 -71.3237 183.999 -71.3255 409.746 GPRESSURE: 3913000 36.9805 135.364 229.483 -137.621 191.048 -35.1932 237.345 13.0754 424.945 PRESSAVG: 3913000 -47.2198 32.2525 14.6411 32.2525 31.5345 -78.9224 14.6411 -78.9224 9.52453 GPRESSAVG: 3913000 -47.0518 33.5826 15.7246 29.9407 32.5174 -78.5996 13.2231 -78.244 8.75289 TIMING: 3913000 CPU: 12428.3, 0.00315181/step Wall: 12428.3, 0.00315181/step, 0.951672 hours remaining, 239.324219 MB of memory in use. ENERGY: 3913000 4030.5738 20599.9481 14401.7406 267.7635 -203113.3907 2520.7731 0.0000 0.0000 52352.9248 -108939.6667 300.8730 -161292.5915 -108578.0143 300.6816 191.8246 217.6576 760797.5986 -2.0536 -1.9272 PRESSURE: 3913200 -123.853 -59.6966 -200.755 -59.6966 -324.782 157.605 -200.755 157.605 102.45 GPRESSURE: 3913200 -108.276 -74.3991 -200.364 -2.57221 -268.921 91.1191 -126.534 104.891 119.494 PRESSAVG: 3913200 -20.6752 -1.38757 15.0863 -1.38756 2.42376 40.4694 15.0863 40.4695 -7.57507 GPRESSAVG: 3913200 -20.5489 -1.92375 13.1679 -0.0546522 1.90326 38.7671 17.457 39.5425 -7.01318 TIMING: 3913200 CPU: 12429, 0.00316993/step Wall: 12429, 0.00316993/step, 0.956968 hours remaining, 239.324219 MB of memory in use. ENERGY: 3913200 3969.1942 20583.1615 14475.7156 247.3650 -203517.9683 2767.5416 0.0000 0.0000 52042.8750 -109432.1154 299.0911 -161474.9904 -109079.6907 299.9201 -115.3948 -85.9012 761574.8877 -8.6088 -8.5530 PRESSURE: 3913400 127.945 2.96292 217.964 2.96278 243.744 101.721 217.964 101.721 438.513 GPRESSURE: 3913400 142.597 33.2624 134.264 22.8326 295.569 65.395 183.918 188.195 442.077 PRESSAVG: 3913400 -4.98127 43.3979 36.0665 43.3979 -13.0254 -10.9601 36.0665 -10.9601 -12.4807 GPRESSAVG: 3913400 -3.92401 45.1187 35.677 42.9498 -13.515 -10.2536 34.3255 -14.013 -14.0297 TIMING: 3913400 CPU: 12429.6, 0.0031802/step Wall: 12429.6, 0.0031802/step, 0.95989 hours remaining, 239.324219 MB of memory in use. ENERGY: 3913400 3906.6050 20565.4767 14417.8915 246.0529 -203068.2841 2457.0773 0.0000 0.0000 51921.3227 -109553.8581 298.3926 -161475.1808 -109191.7440 299.3368 270.0674 293.4145 760666.8841 -10.1625 -10.4896 PRESSURE: 3913600 -123.302 -32.1813 -28.2109 -32.1804 -169.259 -16.8697 -28.2106 -16.8698 -195.346 GPRESSURE: 3913600 -36.9576 -139.424 -52.9649 -27.5965 -180.139 -26.7173 17.557 -7.8532 -205.625 PRESSAVG: 3913600 -62.0465 8.9719 26.636 8.97195 23.9005 6.88921 26.636 6.88925 3.08026 GPRESSAVG: 3913600 -63.0595 8.15332 28.3549 8.01032 23.6505 7.60161 26.3091 7.12029 3.92038 TIMING: 3913600 CPU: 12430.2, 0.00317097/step Wall: 12430.2, 0.00317098/step, 0.95693 hours remaining, 239.324219 MB of memory in use. ENERGY: 3913600 4069.4662 20519.1795 14411.9739 234.6706 -203296.5212 2609.7994 0.0000 0.0000 52030.3433 -109421.0884 299.0191 -161451.4317 -109063.9803 299.2077 -162.6357 -140.9072 761347.9389 -11.6886 -11.8296 PRESSURE: 3913800 122.647 -100.632 57.8235 -100.632 -286.977 103.12 57.8232 103.121 -208.603 GPRESSURE: 3913800 41.1091 -85.8686 56.3057 -46.8936 -193.827 122.017 23.5214 -38.0958 -118.664 PRESSAVG: 3913800 29.8305 19.2597 15.2325 19.2596 -24.5826 -44.2305 15.2326 -44.2304 9.29978 GPRESSAVG: 3913800 30.1789 18.8836 14.0577 21.0405 -25.1341 -45.7742 16.965 -44.1145 9.51804 TIMING: 3913800 CPU: 12430.9, 0.00318404/step Wall: 12430.9, 0.00318404/step, 0.960696 hours remaining, 239.324219 MB of memory in use. ENERGY: 3913800 3993.6120 20511.2070 14340.5340 238.7060 -203070.7752 2462.8833 0.0000 0.0000 51981.7834 -109542.0495 298.7400 -161523.8329 -109181.1508 299.2789 -124.3108 -90.4607 762674.8822 4.8492 4.8543 PRESSURE: 3914000 19.3808 165.813 22.4086 165.813 110.765 -66.2298 22.4089 -66.2298 -366.997 GPRESSURE: 3914000 103.519 134.42 -68.4784 262.271 79.8134 -16.3441 84.8547 -76.2481 -337.603 PRESSAVG: 3914000 11.9952 56.1533 43.7726 56.1534 -1.6625 -1.56534 43.7726 -1.56533 20.6154 GPRESSAVG: 3914000 12.0865 55.9358 44.0789 54.4102 -1.43564 -2.09357 41.3206 0.86747 20.2371 TIMING: 3914000 CPU: 12431.5, 0.00318407/step Wall: 12431.5, 0.00318407/step, 0.960527 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 3956.7120 20522.3591 14447.9296 243.7361 -203227.4665 2472.5555 0.0000 0.0000 52107.9853 -109476.1889 299.4653 -161584.1742 -109111.4625 299.3775 -78.9502 -51.4237 760737.8496 10.3160 10.2960 PRESSURE: 3914200 -125.204 140.753 -94.9721 140.753 -192.05 -24.9713 -94.9724 -24.9712 -128.577 GPRESSURE: 3914200 -169.65 152.084 -57.8042 158.335 -61.8301 -42.4904 65.0571 61.3499 -118.56 PRESSAVG: 3914200 38.0237 47.2269 7.50518 47.227 -47.9632 -4.94331 7.50515 -4.94329 -9.04845 GPRESSAVG: 3914200 39.4844 45.9705 7.98084 48.9934 -48.3607 -3.97919 11.2684 -7.06338 -9.33147 TIMING: 3914200 CPU: 12432.1, 0.00316669/step Wall: 12432.1, 0.00316669/step, 0.95511 hours remaining, 239.324219 MB of memory in use. ENERGY: 3914200 3966.7383 20427.0781 14340.6581 240.1690 -202992.0319 2385.0145 0.0000 0.0000 52074.2915 -109558.0824 299.2717 -161632.3739 -109187.3520 299.0792 -148.6102 -116.6801 761713.3685 -6.3293 -6.0693 PRESSURE: 3914400 -201.737 -82.2035 198.68 -82.203 -200.299 -199.386 198.679 -199.386 13.8216 GPRESSURE: 3914400 -231.14 -29.7026 137.385 -191.185 -51.2696 -220.629 322.556 -52.8234 -10.6718 PRESSAVG: 3914400 -32.1536 8.46295 -17.7795 8.46289 52.2169 -26.9874 -17.7795 -26.9874 13.4238 GPRESSAVG: 3914400 -32.4786 8.86578 -17.4385 7.86012 52.8475 -27.1899 -20.7646 -24.6437 13.5169 TIMING: 3914400 CPU: 12432.8, 0.00317948/step Wall: 12432.8, 0.00317948/step, 0.958789 hours remaining, 239.324219 MB of memory in use. ENERGY: 3914400 3992.0397 20626.3015 14454.5076 250.9543 -203378.6355 2533.9045 0.0000 0.0000 51845.3226 -109675.6053 297.9558 -161520.9278 -109314.4110 299.2869 -129.4048 -97.6937 760607.2094 11.1624 11.2953 PRESSURE: 3914600 -421.733 29.1278 -213.993 29.1283 -590.286 11.2517 -213.992 11.2523 -648.538 GPRESSURE: 3914600 -369.815 78.5282 -164.438 120.677 -558.487 14.2671 -239.276 -98.8784 -624.085 PRESSAVG: 3914600 23.2429 3.1503 49.025 3.15036 -16.9156 -15.9166 49.025 -15.9167 -14.2167 GPRESSAVG: 3914600 22.5382 2.32829 46.871 4.63025 -16.2753 -13.923 49.8764 -17.3492 -14.6526 TIMING: 3914600 CPU: 12433.4, 0.00315676/step Wall: 12433.4, 0.00315676/step, 0.951763 hours remaining, 239.324219 MB of memory in use. ENERGY: 3914600 4044.5239 20527.6089 14388.0800 240.1288 -203183.0190 2369.0810 0.0000 0.0000 51722.8317 -109890.7646 297.2518 -161613.5963 -109529.2277 298.5967 -553.5191 -517.4621 761690.8506 -2.6298 -2.7966 PRESSURE: 3914800 40.9575 263.209 139.388 263.208 321.698 -179.234 139.388 -179.235 48.0415 GPRESSURE: 3914800 161.4 239.041 171.017 206.374 315.264 -308.933 113.139 -165.285 22.6314 PRESSAVG: 3914800 46.1486 28.6152 -5.52758 28.6152 -15.7214 -116.398 -5.52761 -116.398 -11.104 GPRESSAVG: 3914800 44.5824 28.1103 -3.74945 27.8035 -14.9555 -118.74 -3.85284 -115.784 -10.1342 TIMING: 3914800 CPU: 12434, 0.00314893/step Wall: 12434, 0.00314893/step, 0.949229 hours remaining, 239.324219 MB of memory in use. ENERGY: 3914800 3926.2385 20607.6128 14426.4058 259.6908 -203688.2633 2561.2362 0.0000 0.0000 51982.1155 -109924.9637 298.7419 -161907.0792 -109561.4421 298.6629 136.8989 166.4316 760449.9834 6.4411 6.4976 PRESSURE: 3915000 4.53977 -131.279 -118.246 -131.279 203.796 -109.701 -118.247 -109.701 521.996 GPRESSURE: 3915000 173.26 -149.903 -124.311 -120.595 156.585 33.7422 -83.6793 -107.479 504.573 PRESSAVG: 3915000 39.9344 11.8147 50.9601 11.8147 -52.0438 -33.872 50.9601 -33.872 -0.764542 GPRESSAVG: 3915000 42.0801 12.9601 49.5388 11.4605 -54.0387 -33.64 51.0914 -32.3698 -1.0003 TIMING: 3915000 CPU: 12434.7, 0.00314926/step Wall: 12434.7, 0.00314926/step, 0.949153 hours remaining, 239.324219 MB of memory in use. ENERGY: 3915000 3967.9312 20488.7246 14485.7523 253.5354 -204143.2900 3025.1580 0.0000 0.0000 52188.2428 -109733.9456 299.9265 -161922.1885 -109361.7165 298.5220 243.4441 278.1395 759368.9385 -4.2913 -4.3196 PRESSURE: 3915200 -714.625 153.664 -39.6601 153.664 -185.588 -149.797 -39.6613 -149.798 -313.357 GPRESSURE: 3915200 -624.092 137.597 25.4784 223.341 -189.914 -176.903 -71.5151 -77.3712 -318.535 PRESSAVG: 3915200 -10.5023 7.6974 23.6028 7.69743 37.9837 -23.8356 23.6029 -23.8355 -0.412551 GPRESSAVG: 3915200 -10.5089 8.70028 25.6983 6.24133 37.2277 -22.4962 22.1161 -23.9302 0.636863 TIMING: 3915200 CPU: 12435.3, 0.00316782/step Wall: 12435.3, 0.00316782/step, 0.954569 hours remaining, 239.324219 MB of memory in use. ENERGY: 3915200 4014.4966 20633.5219 14446.2087 234.4324 -203059.0017 2186.0785 0.0000 0.0000 51932.4067 -109611.8569 298.4563 -161544.2636 -109255.0862 298.8203 -404.5234 -377.5137 762386.1879 9.0229 9.1186 PRESSURE: 3915400 309.144 173.357 -115.766 173.358 227.355 -79.9362 -115.765 -79.9358 16.2622 GPRESSURE: 3915400 382.423 200.689 -46.4976 168.48 264.799 -100.928 -84.1703 -2.70746 -3.73621 PRESSAVG: 3915400 22.0309 59.1997 22.4691 59.1996 -65.6476 -31.7921 22.4691 -31.7921 -9.64614 GPRESSAVG: 3915400 22.1233 57.272 20.4906 59.8204 -65.171 -32.6778 23.4079 -34.0773 -10.2508 TIMING: 3915400 CPU: 12435.9, 0.00316388/step Wall: 12435.9, 0.00316388/step, 0.953208 hours remaining, 239.324219 MB of memory in use. ENERGY: 3915400 3958.4486 20562.1995 14467.0361 254.6282 -203323.1650 2445.1162 0.0000 0.0000 51949.1449 -109686.5915 298.5524 -161635.7364 -109325.8945 299.3924 184.2538 214.4954 760680.7729 -17.7543 -17.7662 PRESSURE: 3915600 -140.905 -37.1936 28.9261 -37.1936 -74.0371 -148.819 28.926 -148.819 265.976 GPRESSURE: 3915600 -38.1942 -69.57 77.6699 -59.8037 -73.1309 -110.072 -16.492 -204.604 257.415 PRESSAVG: 3915600 52.7312 28.1386 64.6878 28.1386 -40.236 -24.3326 64.6879 -24.3325 -0.601786 GPRESSAVG: 3915600 52.8711 28.8208 66.1478 28.3988 -39.7336 -23.9342 64.856 -24.3499 -1.02591 TIMING: 3915600 CPU: 12436.6, 0.00314351/step Wall: 12436.6, 0.00314351/step, 0.946895 hours remaining, 239.324219 MB of memory in use. ENERGY: 3915600 3979.6106 20759.3300 14438.5386 250.0106 -203619.0139 2591.8004 0.0000 0.0000 51982.9701 -109616.7537 298.7468 -161599.7238 -109254.8242 299.1468 17.0114 48.6966 760323.4839 3.9645 4.0372 PRESSURE: 3915800 199.419 168.685 276.886 168.685 100.18 156.095 276.886 156.096 395.933 GPRESSURE: 3915800 310.963 151.79 215.37 151.75 72.8093 171.53 193.741 236.364 414.415 PRESSAVG: 3915800 6.88078 39.323 9.14303 39.3229 -47.6738 36.2034 9.1431 36.2033 6.30232 GPRESSAVG: 3915800 7.28329 41.1426 9.93282 40.197 -48.2253 36.1912 7.98453 39.0514 6.85482 TIMING: 3915800 CPU: 12437.2, 0.00317421/step Wall: 12437.2, 0.00317421/step, 0.955967 hours remaining, 239.324219 MB of memory in use. ENERGY: 3915800 3985.1706 20540.7679 14463.4672 229.8446 -203687.6031 2871.6278 0.0000 0.0000 52019.8646 -109576.8606 298.9589 -161596.7251 -109217.0764 298.6317 231.8438 266.0625 760582.1346 -11.4969 -11.3624 PRESSURE: 3916000 106.666 11.9606 196.968 11.9608 -340.051 220.524 196.97 220.523 366.05 GPRESSURE: 3916000 102.3 28.3997 215.607 37.6512 -290.108 209.352 34.6389 110.896 417.659 PRESSAVG: 3916000 52.089 -6.0738 11.9141 -6.07374 -31.5516 17.5925 11.9142 17.5924 12.6075 GPRESSAVG: 3916000 51.2182 -7.4304 10.7183 -6.53132 -31.5873 18.6734 11.1983 15.5902 13.6321 TIMING: 3916000 CPU: 12437.8, 0.00315753/step Wall: 12437.8, 0.00315753/step, 0.950768 hours remaining, 239.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 4016.0008 20588.9701 14357.5013 246.8525 -203457.7869 2589.4900 0.0000 0.0000 52037.5239 -109621.4484 299.0604 -161658.9723 -109254.8327 299.1858 44.2216 76.6171 761311.1187 11.0483 11.0876 PRESSURE: 3916200 -64.8926 -105.208 304.495 -105.208 168.77 259.938 304.495 259.938 36.1637 GPRESSURE: 3916200 -64.0627 -170.598 187.322 -97.3931 249.408 268.432 293.483 199.004 32.3563 PRESSAVG: 3916200 -2.48129 28.7802 14.1593 28.7802 25.9281 20.0886 14.1593 20.0886 -26.7911 GPRESSAVG: 3916200 -1.90137 27.9457 14.9368 27.8845 25.6067 18.2154 15.9044 20.6038 -27.1451 TIMING: 3916200 CPU: 12438.5, 0.00315096/step Wall: 12438.5, 0.00315096/step, 0.948615 hours remaining, 239.324219 MB of memory in use. ENERGY: 3916200 3945.0377 20515.6656 14415.7427 235.8382 -203287.5166 2568.7491 0.0000 0.0000 52103.2619 -109503.2213 299.4382 -161606.4832 -109142.7668 298.9576 46.6802 72.5671 763238.2411 -1.1148 -1.1466 LDB: ============= START OF LOAD BALANCING ============== 12450.9 LDB: ============== END OF LOAD BALANCING =============== 12450.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12450.9 LDB: ============= START OF LOAD BALANCING ============== 12451.2 LDB: Largest compute 7073 load 0.036729 is 18.8% of average load 0.195396 LDB: Average compute 0.004368 is 2.2% of average load 0.195396 LDB: TIME 12451.2 LOAD: AVG 0.195396 MAX 0.214917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.891 MB LDB: TIME 12451.2 LOAD: AVG 0.195396 MAX 0.214917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.93 MB LDB: TIME 12451.2 LOAD: AVG 0.195396 MAX 0.214917 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.93 MB LDB: ============== END OF LOAD BALANCING =============== 12451.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12451.2 PRESSURE: 3916400 -117.293 -172.926 -181.269 -172.925 -192.299 -24.0826 -181.27 -24.0812 110.061 GPRESSURE: 3916400 -143.64 -189.754 -85.6463 7.36957 -78.7381 15.2779 -122.999 -162.786 105.099 PRESSAVG: 3916400 -35.4974 -22.0388 -17.3866 -22.0388 28.3347 -38.6935 -17.3866 -38.6936 0.141765 GPRESSAVG: 3916400 -36.5976 -22.6257 -18.384 -19.7154 28.8178 -36.4859 -17.6897 -41.8788 0.0115205 TIMING: 3916400 CPU: 12439.1, 0.00325101/step Wall: 12439.1, 0.00325101/step, 0.978554 hours remaining, 240.039062 MB of memory in use. ENERGY: 3916400 3941.7045 20412.6211 14359.5423 250.9328 -203329.6256 2609.4250 0.0000 0.0000 52337.1437 -109418.2561 300.7823 -161755.3998 -109061.2040 299.7354 -66.5102 -39.0929 761907.3918 -2.3403 -2.5894 PRESSURE: 3916600 61.4429 -14.6851 51.9766 -14.6852 101.812 -161.78 51.9779 -161.78 255.144 GPRESSURE: 3916600 66.622 17.579 -31.0533 -124.067 139.281 -203.055 -20.0701 -103.66 295.611 PRESSAVG: 3916600 -14.0233 -14.7361 15.6883 -14.7361 14.1494 -34.5957 15.6883 -34.5957 -3.69525 GPRESSAVG: 3916600 -13.8226 -13.829 16.9922 -15.8492 13.9029 -35.3226 14.4823 -33.686 -3.92104 TIMING: 3916600 CPU: 12439.7, 0.00317071/step Wall: 12439.7, 0.00317072/step, 0.954209 hours remaining, 240.242188 MB of memory in use. ENERGY: 3916600 4005.0789 20577.2039 14436.9940 223.3720 -203182.6974 2588.4378 0.0000 0.0000 51891.3620 -109460.2488 298.2204 -161351.6108 -109094.2540 299.4372 139.4661 167.1712 762325.8109 -1.1897 -1.2802 PRESSURE: 3916800 -372.478 -132.004 9.33448 -132.004 -168.431 0.46807 9.33493 0.466868 -320.745 GPRESSURE: 3916800 -296.575 -99.4343 -51.5609 -130.588 -241.226 51.8829 -44.3187 -61.9012 -250.451 PRESSAVG: 3916800 36.6747 29.6705 -9.48648 29.6705 -35.0174 5.34715 -9.48646 5.34716 28.0109 GPRESSAVG: 3916800 36.2555 29.0633 -10.1574 28.6245 -33.7157 3.81802 -9.03368 7.62319 27.3301 TIMING: 3916800 CPU: 12440.4, 0.0031996/step Wall: 12440.4, 0.0031996/step, 0.962724 hours remaining, 240.242188 MB of memory in use. ENERGY: 3916800 4045.2221 20569.0108 14387.0308 250.9199 -202771.1589 2154.5925 0.0000 0.0000 52004.2164 -109360.1664 298.8689 -161364.3828 -108997.5713 299.8887 -287.2178 -262.7505 762395.3115 9.8894 9.9567 PRESSURE: 3917000 169.723 28.2778 -43.879 28.2775 56.6345 291.47 -43.8795 291.469 -156.134 GPRESSURE: 3917000 264.963 -44.8872 20.9512 -52.494 58.5423 274.523 34.9244 173.061 -159.363 PRESSAVG: 3917000 56.7499 2.31617 20.1454 2.31611 -56.6812 -2.59494 20.1454 -2.59491 1.7181 GPRESSAVG: 3917000 57.5891 1.79261 20.2203 1.75993 -56.4293 -0.847024 20.7831 -3.62321 0.736063 TIMING: 3917000 CPU: 12441, 0.00316092/step Wall: 12441, 0.00316092/step, 0.950911 hours remaining, 240.242188 MB of memory in use. ENERGY: 3917000 4008.9256 20510.8115 14422.9837 228.9028 -203534.5920 2748.0730 0.0000 0.0000 52269.7254 -109345.1699 300.3948 -161614.8954 -108993.8947 299.1692 23.4079 54.7141 761432.0674 0.5956 0.6319 PRESSURE: 3917200 185.537 -238.128 -142.622 -238.128 22.961 4.81943 -142.623 4.81877 20.2455 GPRESSURE: 3917200 275.273 -100.087 -198.794 -107.159 41.1763 49.5794 -72.4104 -58.8536 -6.20363 PRESSAVG: 3917200 -32.5532 -45.2655 -44.3305 -45.2655 1.73244 20.532 -44.3306 20.532 -15.0089 GPRESSAVG: 3917200 -32.2869 -44.4588 -44.2547 -43.971 0.757631 20.4924 -45.0585 20.5514 -14.3342 TIMING: 3917200 CPU: 12441.6, 0.00317995/step Wall: 12441.6, 0.00317995/step, 0.956459 hours remaining, 240.242188 MB of memory in use. ENERGY: 3917200 3973.7535 20527.4922 14406.4762 243.9557 -203696.9539 2652.5339 0.0000 0.0000 52285.1487 -109607.5937 300.4835 -161892.7423 -109241.4660 298.9732 76.2479 103.4153 762780.2376 -15.2765 -15.2878 PRESSURE: 3917400 259.281 205.623 62.3798 205.623 346.114 216.363 62.3808 216.363 170.769 GPRESSURE: 3917400 245.453 125.713 113.175 266.671 449.654 183.127 89.1933 169.337 158.192 PRESSAVG: 3917400 29.0133 15.9026 -4.87908 15.9026 -8.74124 31.8059 -4.87898 31.8059 -2.42368 GPRESSAVG: 3917400 27.3851 14.8797 -5.75496 14.858 -7.5577 30.5918 -5.23358 32.3078 -2.80515 TIMING: 3917400 CPU: 12442.3, 0.00318447/step Wall: 12442.3, 0.00318447/step, 0.957642 hours remaining, 240.242188 MB of memory in use. ENERGY: 3917400 3965.7659 20663.2150 14438.0455 248.4349 -203689.2675 2896.4893 0.0000 0.0000 52058.0769 -109419.2400 299.1785 -161477.3168 -109068.3725 299.0949 258.7215 284.4332 761192.0072 5.9495 5.6741 PRESSURE: 3917600 25.9685 160.39 -202.665 160.39 -121.981 -121.708 -202.665 -121.708 432.458 GPRESSURE: 3917600 78.0464 89.0462 -168.961 157.379 -70.4146 -66.9039 -175.068 -108.939 417.554 PRESSAVG: 3917600 5.15865 2.7409 -23.0981 2.74092 -13.9421 -22.1498 -23.0981 -22.1497 -6.5628 GPRESSAVG: 3917600 6.72292 2.84395 -21.9394 3.25965 -14.38 -19.7949 -23.2858 -21.5714 -7.77067 TIMING: 3917600 CPU: 12442.9, 0.00317713/step Wall: 12442.9, 0.00317713/step, 0.955256 hours remaining, 240.242188 MB of memory in use. ENERGY: 3917600 3942.4430 20585.6130 14405.7651 245.4044 -202898.3913 2350.3423 0.0000 0.0000 51964.9681 -109403.8553 298.6434 -161368.8234 -109041.5851 299.9006 112.1485 141.7286 761213.1543 -5.1154 -5.1426 PRESSURE: 3917800 -101 -92.8305 -43.9517 -92.8316 104.099 -53.713 -43.9511 -53.7118 111.014 GPRESSURE: 3917800 5.94137 -13.04 -55.227 -6.88887 81.2997 -81.9304 101.693 -3.29479 99.793 PRESSAVG: 3917800 20.8334 16.2661 -46.9817 16.266 -29.6394 22.6687 -46.9817 22.6688 14.4141 GPRESSAVG: 3917800 20.1012 17.2085 -46.0719 17.2288 -31.2418 22.0096 -46.4377 21.5111 16.7367 TIMING: 3917800 CPU: 12443.6, 0.00317862/step Wall: 12443.6, 0.00317862/step, 0.95553 hours remaining, 240.242188 MB of memory in use. ENERGY: 3917800 3953.5958 20548.8599 14384.7751 222.5507 -203231.0890 2553.1632 0.0000 0.0000 52236.5908 -109331.5535 300.2044 -161568.1443 -108968.0424 299.6793 38.0376 62.3447 761433.8124 1.8693 1.8654 PRESSURE: 3918000 -35.3179 -40.0467 27.7197 -40.0469 -233.536 -348.766 27.72 -348.766 -332.413 GPRESSURE: 3918000 -51.6087 -93.1335 -88.9712 -102.354 -160.328 -279.845 136.17 -241.209 -301.112 PRESSAVG: 3918000 34.5067 50.6029 -12.3582 50.603 -37.4532 82.5567 -12.3582 82.5568 15.0999 GPRESSAVG: 3918000 32.9603 50.1683 -13.0899 48.0161 -36.433 81.8239 -12.1883 82.457 15.2081 TIMING: 3918000 CPU: 12444.2, 0.00316445/step Wall: 12444.2, 0.00316445/step, 0.951093 hours remaining, 240.242188 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: 3918000 4024.0260 20676.6132 14452.9748 238.8588 -203266.2225 2671.5352 0.0000 0.0000 52064.8296 -109137.3849 299.2173 -161202.2145 -108779.1597 299.4898 -200.4224 -171.0161 761693.4710 4.0511 3.9118 PRESSURE: 3918200 101.042 -188.923 7.38574 -188.922 -271.094 52.5708 7.38479 52.5693 -68.7041 GPRESSURE: 3918200 107.081 -118.125 50.1794 -118.792 -263.134 -74.0816 -7.46967 44.3095 -8.88337 PRESSAVG: 3918200 52.2253 -62.5304 6.74477 -62.5305 -3.84048 -15.3495 6.74475 -15.3495 7.4534 GPRESSAVG: 3918200 53.8528 -62.1261 6.58597 -61.9462 -4.66335 -16.0576 5.81665 -14.6488 6.36173 TIMING: 3918200 CPU: 12444.8, 0.00317805/step Wall: 12444.8, 0.00317805/step, 0.955003 hours remaining, 240.242188 MB of memory in use. ENERGY: 3918200 4028.2854 20630.8711 14486.9865 254.6727 -203574.0295 2832.4181 0.0000 0.0000 51934.1067 -109406.6889 298.4660 -161340.7956 -109057.4992 300.0440 -79.5854 -54.9787 761165.9472 18.6127 18.5171 PRESSURE: 3918400 -265.424 -148.638 -156.828 -148.637 -353.528 -20.9028 -156.828 -20.9029 6.33917 GPRESSURE: 3918400 -302.953 -281.856 -155.889 -232.676 -120.322 2.74664 -129.127 57.6368 -114.667 PRESSAVG: 3918400 -25.3994 -34.5371 37.8148 -34.5372 17.0952 45.0991 37.8148 45.099 24.4024 GPRESSAVG: 3918400 -25.8769 -35.0912 36.508 -33.3404 18.4991 45.9141 37.4953 45.3032 23.5561 TIMING: 3918400 CPU: 12445.5, 0.00319094/step Wall: 12445.5, 0.00319094/step, 0.958701 hours remaining, 240.242188 MB of memory in use. ENERGY: 3918400 4028.3912 20545.7028 14495.6813 245.5280 -203243.5153 2290.6006 0.0000 0.0000 52036.9866 -109600.6248 299.0573 -161637.6114 -109225.2788 299.7338 -204.2045 -179.3137 761879.1315 5.3660 5.3927 PRESSURE: 3918600 71.4501 -104.933 254.791 -104.933 -127.859 165.419 254.791 165.419 247.483 GPRESSURE: 3918600 96.3325 -63.0961 380.001 -166.355 -53.386 118.093 224.658 5.1594 240.926 PRESSAVG: 3918600 12.0085 -12.4616 -18.4344 -12.4615 -23.2577 36.9347 -18.4345 36.9347 0.441245 GPRESSAVG: 3918600 12.918 -11.1047 -16.0712 -14.3834 -23.8525 37.0999 -17.1587 36.508 0.472442 TIMING: 3918600 CPU: 12446.1, 0.00316453/step Wall: 12446.1, 0.00316453/step, 0.950589 hours remaining, 240.242188 MB of memory in use. ENERGY: 3918600 4005.4769 20431.9478 14501.1118 249.9212 -203655.0986 2814.3881 0.0000 0.0000 52077.3029 -109574.9499 299.2890 -161652.2529 -109220.6395 299.3334 63.6913 94.6243 760385.5683 -3.6026 -3.4874 PRESSURE: 3918800 -351.153 120.952 -70.5406 120.952 -13.5082 -144.353 -70.5408 -144.353 -156.766 GPRESSURE: 3918800 -237.732 99.8608 -43.3947 254.108 -57.2342 -96.0633 -80.5701 -51.1477 -130.992 PRESSAVG: 3918800 14.1897 -13.3282 -37.8469 -13.3282 -28.9458 15.0335 -37.8469 15.0335 0.751936 GPRESSAVG: 3918800 14.4678 -15.2499 -38.9996 -13.4229 -28.8672 13.8288 -36.8185 14.4063 0.480788 TIMING: 3918800 CPU: 12446.7, 0.00316433/step Wall: 12446.7, 0.00316433/step, 0.950353 hours remaining, 240.242188 MB of memory in use. ENERGY: 3918800 3965.3931 20416.5545 14410.9367 243.0295 -203306.3985 2719.0720 0.0000 0.0000 52283.4517 -109267.9610 300.4737 -161551.4127 -108896.4874 299.6518 -173.8091 -141.9862 763970.0014 -4.6681 -4.6395 PRESSURE: 3919000 -160.399 -74.7508 -36.234 -74.7501 -143.354 -55.1344 -36.2339 -55.1342 -7.99854 GPRESSURE: 3919000 -106.111 -7.75989 -24.7065 -34.3377 -68.6583 -151.128 -57.1113 29.0321 -55.5508 PRESSAVG: 3919000 55.9133 14.3689 -23.4526 14.3689 -47.9139 30.5476 -23.4526 30.5476 -9.45944 GPRESSAVG: 3919000 55.7686 14.9452 -24.0163 17.6445 -48.312 31.4997 -24.0597 31.1527 -9.30185 TIMING: 3919000 CPU: 12447.4, 0.00318114/step Wall: 12447.4, 0.00318114/step, 0.955226 hours remaining, 240.242188 MB of memory in use. ENERGY: 3919000 3985.3859 20600.4057 14476.6941 218.8706 -203062.8143 2589.6966 0.0000 0.0000 51900.7697 -109290.9918 298.2744 -161191.7614 -108926.9156 299.4661 -103.9174 -76.7735 761971.1743 -0.4867 -0.6151 PRESSURE: 3919200 -172.777 -142.853 74.6124 -142.853 141.511 -214.569 74.6123 -214.569 -256.297 GPRESSURE: 3919200 -165.066 -122.891 -5.59687 -130.303 194.016 -222.103 123.556 -10.0047 -238.368 PRESSAVG: 3919200 85.136 33.2137 14.3049 33.2136 -62.8645 -11.1788 14.3049 -11.1788 -10.5274 GPRESSAVG: 3919200 85.3637 33.7453 15.1148 32.5486 -62.715 -10.9529 15.6939 -10.749 -10.825 TIMING: 3919200 CPU: 12448, 0.0031619/step Wall: 12448, 0.0031619/step, 0.949271 hours remaining, 240.242188 MB of memory in use. ENERGY: 3919200 4003.6949 20416.7229 14522.5962 252.7661 -202867.4736 2333.0248 0.0000 0.0000 52105.9676 -109232.7011 299.4537 -161338.6687 -108864.6347 299.6124 -95.8541 -69.8060 762185.2700 3.9147 3.9412 PRESSURE: 3919400 -406.202 -31.0612 -41.2588 -31.0621 -145.497 -30.6261 -41.2575 -30.6261 179.564 GPRESSURE: 3919400 -320.526 -0.255273 -118.945 -76.4392 -116.568 -76.8903 0.465344 45.6511 156.148 PRESSAVG: 3919400 3.67174 11.634 -29.0616 11.634 -16.3242 -13.7513 -29.0616 -13.7513 21.3429 GPRESSAVG: 3919400 3.31505 11.4802 -28.4056 11.6415 -15.4741 -13.2366 -30.7204 -14.2541 20.6566 TIMING: 3919400 CPU: 12448.6, 0.00315918/step Wall: 12448.6, 0.00315918/step, 0.948279 hours remaining, 240.242188 MB of memory in use. ENERGY: 3919400 4098.2608 20553.8268 14478.3035 231.8725 -203425.2584 2738.9557 0.0000 0.0000 52254.1993 -109069.8398 300.3056 -161324.0391 -108698.9456 299.7410 -124.0451 -93.6483 759097.9836 2.8968 2.8325 PRESSURE: 3919600 103.55 -173.696 -33.2936 -173.696 69.9326 48.3886 -33.2937 48.3889 20.2159 GPRESSURE: 3919600 139.217 -243.968 -74.8136 -159.902 63.3751 -28.1806 -82.4763 60.6915 62.5397 PRESSAVG: 3919600 9.20814 -36.5868 -17.6713 -36.5868 2.77966 -5.62912 -17.6713 -5.62913 1.001 GPRESSAVG: 3919600 9.20739 -37.9612 -17.062 -37.165 1.0742 -6.22793 -18.362 -4.55298 2.76233 TIMING: 3919600 CPU: 12449.3, 0.003141/step Wall: 12449.3, 0.003141/step, 0.942648 hours remaining, 240.242188 MB of memory in use. ENERGY: 3919600 3973.8536 20723.3826 14484.6073 245.7441 -202990.2884 2514.4983 0.0000 0.0000 52059.6851 -108988.5173 299.1877 -161048.2024 -108618.7832 300.5421 64.5660 88.3774 762566.1945 4.3296 4.3480 PRESSURE: 3919800 -154.117 75.7584 78.782 75.7566 -156.34 14.64 78.7819 14.6384 -116.435 GPRESSURE: 3919800 -116.619 85.2466 -21.6888 136.682 -101.15 -5.65111 176.607 -70.2052 -121.694 PRESSAVG: 3919800 5.72738 9.63787 25.5955 9.63792 -21.4891 24.9029 25.5955 24.903 23.9531 GPRESSAVG: 3919800 4.92027 11.6729 25.2677 6.8864 -20.7632 25.2052 27.2217 24.5872 24.0159 TIMING: 3919800 CPU: 12449.9, 0.00313497/step Wall: 12449.9, 0.00313497/step, 0.940664 hours remaining, 240.242188 MB of memory in use. ENERGY: 3919800 3971.2974 20613.6415 14427.9117 228.7669 -203069.5215 2252.2869 0.0000 0.0000 52380.5519 -109195.0652 301.0318 -161575.6171 -108821.4101 300.5369 -142.2976 -113.1542 761206.3697 2.7304 2.7243 PRESSURE: 3920000 -122.282 160.256 283.329 160.256 61.0973 -28.9699 283.328 -28.9695 407.221 GPRESSURE: 3920000 -47.2246 47.1324 351.397 169.466 158.157 -0.275333 71.837 -119.053 340.799 PRESSAVG: 3920000 -33.8468 26.3568 51.2235 26.3568 31.7095 -31.4415 51.2235 -31.4415 -7.22829 GPRESSAVG: 3920000 -33.4045 25.5289 49.6931 27.9991 32.8796 -31.0409 49.5705 -31.7102 -8.09728 TIMING: 3920000 CPU: 12450.5, 0.00316614/step Wall: 12450.5, 0.00316614/step, 0.949841 hours remaining, 240.242188 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: 3920000 3967.0743 20658.0213 14442.2962 248.9835 -203090.3305 2460.6795 0.0000 0.0000 52089.9621 -109223.3135 299.3617 -161313.2756 -108870.8699 299.5994 115.3454 150.5771 761511.0322 -3.1219 -2.8740 PRESSURE: 3920200 214.972 273.204 -124.719 273.204 -84.3412 -91.9315 -124.719 -91.9302 -367.761 GPRESSURE: 3920200 142.844 263.973 -127.146 185.103 -146.838 -105.198 -76.4561 -180.777 -128.147 PRESSAVG: 3920200 -2.24084 -14.4924 -13.2468 -14.4924 14.158 -8.37351 -13.2467 -8.37348 0.188886 GPRESSAVG: 3920200 -2.38169 -14.7499 -13.4237 -12.9916 13.8991 -8.24728 -11.054 -7.20198 0.949221 TIMING: 3920200 CPU: 12451.1, 0.00313475/step Wall: 12451.1, 0.00313475/step, 0.94025 hours remaining, 240.242188 MB of memory in use. ENERGY: 3920200 3954.6789 20618.0899 14532.2481 269.6646 -203125.8504 2325.4748 0.0000 0.0000 51973.3250 -109452.3690 298.6914 -161425.6940 -109094.7557 299.3842 -79.0435 -44.0469 761136.8604 4.0353 4.1555 LDB: ============= START OF LOAD BALANCING ============== 12463.6 LDB: ============== END OF LOAD BALANCING =============== 12463.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12463.6 LDB: ============= START OF LOAD BALANCING ============== 12463.9 LDB: Largest compute 7056 load 0.035609 is 18.2% of average load 0.195381 LDB: Average compute 0.004371 is 2.2% of average load 0.195381 LDB: TIME 12463.9 LOAD: AVG 0.195381 MAX 0.216544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.832 MB LDB: TIME 12463.9 LOAD: AVG 0.195381 MAX 0.216544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.836 MB LDB: TIME 12463.9 LOAD: AVG 0.195381 MAX 0.216544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.836 MB LDB: ============== END OF LOAD BALANCING =============== 12463.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12463.9 PRESSURE: 3920400 -19.4903 -1.04989 101.164 -1.05059 327.116 167.548 101.165 167.548 -394.654 GPRESSURE: 3920400 156.063 -71.3189 79.1391 18.1651 223.173 142.678 74.6592 71.8387 -378.006 PRESSAVG: 3920400 11.1509 -4.18279 -24.6549 -4.18284 -59.5653 -26.3152 -24.6548 -26.3151 -6.46464 GPRESSAVG: 3920400 12.0876 -5.43927 -24.6141 -4.929 -59.8543 -26.6884 -24.9057 -27.5524 -6.6697 TIMING: 3920400 CPU: 12451.8, 0.00320663/step Wall: 12451.8, 0.00320663/step, 0.961631 hours remaining, 241.117188 MB of memory in use. ENERGY: 3920400 3984.9960 20477.5486 14437.2660 251.0422 -203386.8174 2563.1265 0.0000 0.0000 52350.0699 -109322.7680 300.8566 -161672.8380 -108948.7609 299.5818 -29.0092 0.4100 760989.1488 -18.2930 -18.1455 PRESSURE: 3920600 239.634 172.024 155.612 172.025 -22.6587 54.8003 155.613 54.8002 121.774 GPRESSURE: 3920600 276.764 97.1688 126.714 125.879 -36.2088 48.0574 124.046 172.952 180.499 PRESSAVG: 3920600 62.9082 16.4963 0.908248 16.4963 -28.2352 -26.3169 0.908221 -26.3168 -1.29573 GPRESSAVG: 3920600 64.773 17.4832 0.905072 15.0422 -28.5331 -25.5279 1.09965 -26.0384 -2.91142 TIMING: 3920600 CPU: 12452.4, 0.00315858/step Wall: 12452.4, 0.00315858/step, 0.947048 hours remaining, 241.320312 MB of memory in use. ENERGY: 3920600 3946.1543 20366.3594 14480.8002 246.5499 -203392.5475 2464.6790 0.0000 0.0000 52345.9967 -109542.0081 300.8332 -161888.0048 -109171.4436 299.7603 112.9164 140.3515 760784.8253 11.1258 11.1095 PRESSURE: 3920800 245.162 -85.5214 89.0633 -85.5208 34.6056 115.502 89.0631 115.501 301.768 GPRESSURE: 3920800 271.24 -72.9351 -34.4689 -98.5951 73.8974 68.4721 54.7881 60.5095 305.965 PRESSAVG: 3920800 47.5108 -11.8388 -27.8999 -11.8388 -63.4579 5.53276 -27.9 5.53277 8.04325 GPRESSAVG: 3920800 46.2041 -10.8048 -28.7118 -10.5239 -63.2388 4.72569 -27.9391 5.06369 9.07359 TIMING: 3920800 CPU: 12453, 0.00315342/step Wall: 12453, 0.00315342/step, 0.945324 hours remaining, 241.320312 MB of memory in use. ENERGY: 3920800 3901.7726 20699.0959 14407.9371 253.9433 -203672.9718 2741.3504 0.0000 0.0000 51974.9679 -109693.9046 298.7009 -161668.8724 -109335.4591 299.1841 193.8453 217.0341 761911.7471 -2.6346 -2.6537 PRESSURE: 3921000 38.4602 -104.538 82.0563 -104.538 133.491 -113.979 82.0557 -113.978 387.967 GPRESSURE: 3921000 83.0722 -16.2068 131.446 -152.213 148.927 -127.811 -24.3911 -68.6852 398.969 PRESSAVG: 3921000 21.1069 -10.2312 25.011 -10.2311 -27.6039 3.179 25.011 3.17904 11.6896 GPRESSAVG: 3921000 21.1429 -10.4956 26.1855 -11.7666 -25.577 3.56042 21.9961 3.73968 10.2416 TIMING: 3921000 CPU: 12453.7, 0.00315325/step Wall: 12453.7, 0.00315325/step, 0.945098 hours remaining, 241.320312 MB of memory in use. ENERGY: 3921000 4034.1549 20503.7320 14496.4820 253.6181 -203526.4521 2687.7306 0.0000 0.0000 51797.9993 -109752.7352 297.6838 -161550.7345 -109397.3019 298.6796 186.6393 210.3227 760486.0323 1.7308 1.9358 PRESSURE: 3921200 160.526 -74.64 -89.7111 -74.638 113.996 58.2024 -89.7105 58.2018 -70.8114 GPRESSURE: 3921200 100.284 -60.4711 -67.0391 -89.2314 151.845 59.0034 95.6519 -5.57265 43.7945 PRESSAVG: 3921200 28.8654 -21.7746 -7.85442 -21.7746 -7.15869 -54.3537 -7.85442 -54.3537 7.76477 GPRESSAVG: 3921200 27.8851 -23.556 -8.34779 -20.6688 -7.60834 -54.6389 -3.88183 -54.8653 9.71608 TIMING: 3921200 CPU: 12454.3, 0.00316673/step Wall: 12454.3, 0.00316673/step, 0.948964 hours remaining, 241.320312 MB of memory in use. ENERGY: 3921200 3921.5685 20358.4153 14401.3031 249.4623 -203193.2638 2323.5819 0.0000 0.0000 51972.6095 -109966.3232 298.6873 -161938.9326 -109602.2867 298.7741 67.9035 98.6412 759047.6496 9.8238 9.9976 PRESSURE: 3921400 -155.159 -90.7428 139.334 -90.7416 -118.784 -229.357 139.334 -229.358 -389.355 GPRESSURE: 3921400 -76.1278 -86.2445 166.562 -130.205 -67.6053 -211.471 17.3258 -358.452 -425.896 PRESSAVG: 3921400 -17.6911 -32.4567 -6.52992 -32.4567 -28.934 -37.9715 -6.52994 -37.9715 5.80453 GPRESSAVG: 3921400 -16.4632 -30.8977 -6.05766 -32.671 -29.0819 -36.9642 -9.49419 -37.7393 5.17282 TIMING: 3921400 CPU: 12454.9, 0.00316869/step Wall: 12454.9, 0.00316869/step, 0.949374 hours remaining, 241.320312 MB of memory in use. ENERGY: 3921400 4039.6237 20478.4600 14412.3482 254.7129 -203133.1240 2082.0020 0.0000 0.0000 51994.2312 -109871.7459 298.8116 -161865.9771 -109505.8278 298.4115 -221.0994 -189.8765 761152.5740 -13.6069 -13.4574 PRESSURE: 3921600 -442.514 -78.915 24.3747 -78.9142 179.848 94.9938 24.3747 94.9931 -95.8575 GPRESSURE: 3921600 -371.813 -54.9225 48.4076 -51.6497 137.659 87.5167 -64.8108 85.0001 -41.6588 PRESSAVG: 3921600 57.4395 -77.8538 15.417 -77.8537 -38.8856 -8.15722 15.417 -8.15719 -0.145558 GPRESSAVG: 3921600 58.3576 -76.7415 16.4915 -79.3267 -38.4029 -10.1647 17.5744 -8.69241 -1.00384 TIMING: 3921600 CPU: 12455.6, 0.00316352/step Wall: 12455.6, 0.00316352/step, 0.947651 hours remaining, 241.320312 MB of memory in use. ENERGY: 3921600 3960.4387 20552.9437 14385.3870 244.2851 -203592.4316 2632.5667 0.0000 0.0000 52086.7341 -109730.0762 299.3432 -161816.8104 -109358.3494 298.4427 -119.5079 -91.9375 761026.6216 6.1361 6.3169 PRESSURE: 3921800 179.653 48.5055 155.05 48.5054 -335.507 51.9981 155.05 51.9978 -335.564 GPRESSURE: 3921800 124.779 42.1342 179.938 162.855 -258.038 91.4685 64.489 94.5921 -274.059 PRESSAVG: 3921800 40.0296 -12.5543 -14.2587 -12.5542 -46.6461 -4.45258 -14.2587 -4.45261 -27.3913 GPRESSAVG: 3921800 40.7197 -13.4425 -16.1793 -11.5333 -49.1906 -2.84396 -17.0509 -3.65626 -25.7767 TIMING: 3921800 CPU: 12456.2, 0.00314173/step Wall: 12456.2, 0.00314173/step, 0.94095 hours remaining, 241.320312 MB of memory in use. ENERGY: 3921800 4006.3513 20546.0462 14441.9743 227.0283 -203679.0629 2573.1794 0.0000 0.0000 52176.3351 -109708.1483 299.8581 -161884.4834 -109341.9382 299.3948 -163.8064 -135.7726 761765.9514 -11.3359 -11.4158 PRESSURE: 3922000 -28.9351 179.142 90.7459 179.142 461.959 167.48 90.7452 167.48 360.266 GPRESSURE: 3922000 32.1367 54.465 118.275 194.624 472.902 263.757 -83.1886 -29.9224 385.971 PRESSAVG: 3922000 16.1606 -17.4113 -48.7885 -17.4112 7.30717 18.8306 -48.7884 18.8306 9.60451 GPRESSAVG: 3922000 14.4217 -16.1151 -47.8457 -16.9929 10.177 17.6674 -47.3624 18.3258 8.8111 TIMING: 3922000 CPU: 12456.8, 0.0031379/step Wall: 12456.8, 0.0031379/step, 0.939627 hours remaining, 241.320312 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: 3922000 3983.0870 20558.1513 14466.9419 246.8421 -204025.6007 3103.4487 0.0000 0.0000 51987.9856 -109679.1441 298.7757 -161667.1297 -109311.9240 298.8636 264.4298 297.0032 760645.1276 11.0241 11.1366 PRESSURE: 3922200 -79.3029 -133.825 217.288 -133.825 -35.4677 -127.075 217.287 -127.074 126.646 GPRESSURE: 3922200 -84.909 -110.325 168.795 -126.176 -17.1318 -207.549 203.351 -121.811 207.186 PRESSAVG: 3922200 18.092 22.9681 -36.7414 22.968 -55.1054 -18.7964 -36.7414 -18.7964 -28.7763 GPRESSAVG: 3922200 18.715 21.1843 -35.4294 22.1816 -56.61 -18.1172 -35.3446 -17.3208 -27.4851 TIMING: 3922200 CPU: 12457.5, 0.00314782/step Wall: 12457.5, 0.00314782/step, 0.942423 hours remaining, 241.320312 MB of memory in use. ENERGY: 3922200 3869.7598 20735.0882 14453.0071 238.7972 -203724.4066 2630.7037 0.0000 0.0000 52088.6425 -109708.4080 299.3541 -161797.0505 -109340.5665 298.7548 3.9586 35.0483 759692.6027 -21.9299 -21.7934 PRESSURE: 3922400 93.7737 317.123 14.9085 317.123 130.992 64.9884 14.909 64.9888 155.929 GPRESSURE: 3922400 172.332 335.196 18.1967 259.68 155.125 100.367 -56.5505 109.251 140.748 PRESSAVG: 3922400 -7.30047 15.1188 33.1009 15.1188 30.4031 -8.61492 33.101 -8.61489 -0.462557 GPRESSAVG: 3922400 -6.22313 16.8198 32.0899 15.8426 30.9313 -8.34648 31.9706 -8.3489 -1.6412 TIMING: 3922400 CPU: 12458.1, 0.00314555/step Wall: 12458.1, 0.00314555/step, 0.941567 hours remaining, 241.320312 MB of memory in use. ENERGY: 3922400 3934.6655 20562.1145 14467.7211 268.4387 -203886.0481 2739.4926 0.0000 0.0000 52117.5799 -109796.0359 299.5204 -161913.6159 -109428.5243 298.9500 126.8982 156.0682 761682.9162 7.5467 7.6890 PRESSURE: 3922600 -246.102 146.65 4.97788 146.65 -336.64 62.4796 4.97754 62.4795 -129.952 GPRESSURE: 3922600 -182.054 41.9572 -19.9209 42.355 -338.78 65.1611 106.127 11.6724 -113.378 PRESSAVG: 3922600 17.835 -2.9861 1.00051 -2.98616 -7.54367 4.72629 1.0005 4.72635 -3.97959 GPRESSAVG: 3922600 17.5464 -4.47933 1.01349 -3.3529 -8.62143 4.8978 0.563249 3.2446 -2.56281 TIMING: 3922600 CPU: 12458.7, 0.0031523/step Wall: 12458.7, 0.0031523/step, 0.943413 hours remaining, 241.320312 MB of memory in use. ENERGY: 3922600 3980.6946 20581.5468 14501.8126 238.1798 -203375.3475 2407.0534 0.0000 0.0000 52007.6267 -109658.4337 298.8885 -161666.0603 -109290.8796 298.6626 -237.5647 -211.4041 761897.0017 2.1039 2.1207 PRESSURE: 3922800 -84.855 138.507 -149.327 138.507 -136.603 -40.1637 -149.328 -40.1641 94.2759 GPRESSURE: 3922800 -25.8183 106.318 -115.24 47.8105 -90.5742 6.62497 -147.276 -63.2647 78.8953 PRESSAVG: 3922800 45.6656 55.1847 40.7122 55.1847 -17.6618 -42.2579 40.7122 -42.2579 15.7886 GPRESSAVG: 3922800 46.1461 55.4939 41.6604 54.8342 -17.1121 -43.5807 43.3802 -40.9856 14.8016 TIMING: 3922800 CPU: 12459.4, 0.00313339/step Wall: 12459.4, 0.00313339/step, 0.937581 hours remaining, 241.320312 MB of memory in use. ENERGY: 3922800 3968.5683 20367.9785 14492.7718 261.1537 -203814.3536 2831.9422 0.0000 0.0000 51971.8751 -109920.0641 298.6831 -161891.9392 -109545.8622 298.4124 -42.3941 -12.4990 762311.9306 14.5975 14.6119 PRESSURE: 3923000 335.612 24.8198 -2.01512 24.8196 10.1884 -44.1723 -2.01584 -44.1714 54.9617 GPRESSURE: 3923000 396.961 79.1944 -56.6539 21.6838 19.6633 -43.7792 -44.3179 65.7535 58.929 PRESSAVG: 3923000 7.05384 26.8196 -37.0392 26.8197 -15.5315 -1.55085 -37.0392 -1.55087 8.88169 GPRESSAVG: 3923000 8.2117 26.718 -38.0843 27.2834 -16.4857 0.058848 -40.1446 -3.68967 8.25705 TIMING: 3923000 CPU: 12460, 0.00314701/step Wall: 12460, 0.00314701/step, 0.941479 hours remaining, 241.320312 MB of memory in use. ENERGY: 3923000 4021.5601 20611.3782 14456.1723 247.7091 -203912.7889 2805.8222 0.0000 0.0000 51749.9330 -110020.2141 297.4076 -161770.1471 -109650.7340 298.3763 133.5875 158.5176 760964.1689 0.1347 -0.0057 PRESSURE: 3923200 -285.557 91.1309 150.999 91.1316 -325.698 -211.634 150.998 -211.634 48.1768 GPRESSURE: 3923200 -241.407 -21.8037 107.143 105.91 -322.762 -212.941 297.631 -198.371 70.3189 PRESSAVG: 3923200 41.4764 22.5179 29.2486 22.5179 -41.429 -0.989714 29.2486 -0.989786 22.725 GPRESSAVG: 3923200 40.7643 23.1384 29.5929 21.5116 -40.7286 -2.17799 30.9286 0.626851 22.71 TIMING: 3923200 CPU: 12460.6, 0.0031625/step Wall: 12460.6, 0.0031625/step, 0.94594 hours remaining, 241.320312 MB of memory in use. ENERGY: 3923200 4006.6430 20614.7923 14421.3804 240.0757 -203857.6077 2570.8651 0.0000 0.0000 52008.0830 -109995.7681 298.8912 -162003.8512 -109627.7117 298.6093 -187.6926 -164.6170 762319.1589 7.5908 7.5819 PRESSURE: 3923400 -113.783 78.6412 -72.1179 78.6407 135.18 137.429 -72.1188 137.429 -225.176 GPRESSURE: 3923400 -87.9616 56.5676 -113.471 64.8228 240.709 249.391 -11.8367 -32.7354 -271.915 PRESSAVG: 3923400 8.05194 43.5315 -4.32499 43.5315 -19.8227 -1.06101 -4.32493 -1.06111 13.5744 GPRESSAVG: 3923400 7.11025 42.7554 -4.79368 46.2435 -18.7213 0.156577 -5.01431 -1.20648 12.9988 TIMING: 3923400 CPU: 12461.2, 0.00316161/step Wall: 12461.2, 0.00316161/step, 0.945498 hours remaining, 241.320312 MB of memory in use. ENERGY: 3923400 4043.1924 20659.8678 14428.8132 244.9183 -203182.1967 2429.9816 0.0000 0.0000 51892.7372 -109482.6861 298.2283 -161375.4233 -109121.1638 299.1270 -67.9262 -39.7224 761992.4469 0.6012 0.4626 PRESSURE: 3923600 -131.704 -104.422 -257.35 -104.422 -221.573 -103.973 -257.35 -103.973 95.8692 GPRESSURE: 3923600 -63.1512 -187.635 -275.475 -99.9393 -111.912 -150.267 -222.924 -164.266 -7.71491 PRESSAVG: 3923600 44.462 30.2795 10.1647 30.2795 -9.7848 -18.5221 10.1647 -18.522 11.0344 GPRESSAVG: 3923600 44.2289 30.2428 10.5516 31.07 -11.016 -19.4619 10.1174 -19.3049 12.6389 TIMING: 3923600 CPU: 12461.9, 0.00316694/step Wall: 12461.9, 0.00316694/step, 0.946916 hours remaining, 241.320312 MB of memory in use. ENERGY: 3923600 3936.5923 20489.0405 14421.1640 250.4221 -203484.9324 2512.4502 0.0000 0.0000 52077.1061 -109798.1572 299.2878 -161875.2634 -109427.7528 299.1527 -85.8025 -60.9262 762965.4570 15.2372 15.2839 PRESSURE: 3923800 -383.951 -104.233 166.558 -104.233 123.846 -17.438 166.558 -17.438 -282.195 GPRESSURE: 3923800 -380.704 -137.637 141.996 -134.027 220.993 -29.0154 113.124 28.3378 -284.956 PRESSAVG: 3923800 -30.2214 -27.4293 5.78341 -27.4293 10.9644 2.03379 5.78348 2.03379 8.30309 GPRESSAVG: 3923800 -28.4608 -27.6734 5.64168 -29.8105 11.2238 3.30039 5.19321 1.02818 6.36446 TIMING: 3923800 CPU: 12462.5, 0.00318041/step Wall: 12462.5, 0.00318041/step, 0.950766 hours remaining, 241.320312 MB of memory in use. ENERGY: 3923800 4011.2907 20431.7773 14399.4209 246.6921 -203900.2262 2847.4535 0.0000 0.0000 52204.9906 -109758.6011 300.0228 -161963.5917 -109389.8439 298.8589 -180.7669 -148.2225 762171.8907 -3.6513 -3.6242 PRESSURE: 3924000 -196.392 -58.3448 -24.1567 -58.3448 -287.263 -352.6 -24.1588 -352.6 289.953 GPRESSURE: 3924000 -154.871 -136.972 -136.005 -104.153 -290.82 -349.447 43.1665 -250.86 327.64 PRESSAVG: 3924000 11.8966 -21.8407 2.18612 -21.8408 -7.1692 -8.14592 2.18611 -8.14591 -2.57864 GPRESSAVG: 3924000 11.8931 -19.6676 3.28174 -21.947 -7.97959 -8.92155 0.982591 -7.0013 -1.75744 TIMING: 3924000 CPU: 12463.1, 0.00316496/step Wall: 12463.1, 0.00316496/step, 0.945971 hours remaining, 241.320312 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: 3924000 3956.9048 20582.5253 14403.7146 238.6010 -203409.4737 2247.8980 0.0000 0.0000 52084.8924 -109894.9377 299.3326 -161979.8300 -109534.0963 298.9939 -64.5673 -39.3502 761750.5332 0.7162 0.7187 PRESSURE: 3924200 -69.998 100.179 13.1013 100.178 -18.7491 -43.2853 13.1019 -43.2856 81.8926 GPRESSURE: 3924200 79.0002 72.4158 -6.01964 125.788 -78.5599 58.6167 50.6545 -84.1384 74.9068 PRESSAVG: 3924200 -27.0007 3.11827 -12.8337 3.11823 -33.6073 -38.0308 -12.8336 -38.0308 10.1875 GPRESSAVG: 3924200 -26.4738 0.790717 -13.0838 5.30013 -33.5276 -37.6902 -11.3615 -37.1425 10.1044 TIMING: 3924200 CPU: 12463.8, 0.00316528/step Wall: 12463.8, 0.00316528/step, 0.945892 hours remaining, 241.320312 MB of memory in use. ENERGY: 3924200 3963.6198 20621.3511 14422.3119 238.5729 -203689.3773 2514.2405 0.0000 0.0000 51888.5113 -110040.7698 298.2040 -161929.2811 -109685.2197 298.5068 -2.2849 25.1157 761364.6747 -16.8068 -16.6323 LDB: ============= START OF LOAD BALANCING ============== 12476.2 LDB: ============== END OF LOAD BALANCING =============== 12476.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12476.2 LDB: ============= START OF LOAD BALANCING ============== 12476.5 LDB: Largest compute 7056 load 0.033672 is 17.2% of average load 0.195444 LDB: Average compute 0.004352 is 2.2% of average load 0.195444 LDB: TIME 12476.6 LOAD: AVG 0.195444 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.609 MB LDB: TIME 12476.6 LOAD: AVG 0.195444 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: TIME 12476.6 LOAD: AVG 0.195444 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.613 MB LDB: ============== END OF LOAD BALANCING =============== 12476.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12476.6 PRESSURE: 3924400 64.0317 -36.1057 -219.106 -36.1053 -152.623 -95.9874 -219.106 -95.9872 228.318 GPRESSURE: 3924400 46.4136 -112.967 -233.683 26.4588 -21.9223 -119.58 -157.779 -141.72 215.655 PRESSAVG: 3924400 45.9037 -63.9015 -17.3968 -63.9014 -34.2982 -5.68848 -17.3969 -5.68845 3.13371 GPRESSAVG: 3924400 45.2823 -63.8871 -17.6525 -63.7412 -33.0336 -5.75517 -16.6403 -7.30964 3.03225 TIMING: 3924400 CPU: 12464.4, 0.00320755/step Wall: 12464.4, 0.00320755/step, 0.958344 hours remaining, 240.097656 MB of memory in use. ENERGY: 3924400 3948.9913 20500.1651 14418.5652 238.9404 -204024.7001 2915.9181 0.0000 0.0000 51955.3503 -110046.7697 298.5881 -162002.1200 -109695.7316 298.3434 46.5754 80.0487 760879.2115 4.9131 5.0937 PRESSURE: 3924600 39.9711 66.1642 43.4566 66.163 113.422 -16.3043 43.4561 -16.3045 182.788 GPRESSURE: 3924600 107.786 114.57 66.8699 12.8938 140.146 45.2484 42.908 -127.921 176.934 PRESSAVG: 3924600 26.1957 44.022 -3.4929 44.022 -42.4801 65.8087 -3.49287 65.8087 -2.37185 GPRESSAVG: 3924600 26.0577 44.8517 -2.59992 41.7553 -42.4918 65.7031 -3.26131 66.0032 -2.29166 TIMING: 3924600 CPU: 12465.1, 0.00313711/step Wall: 12465.1, 0.00313711/step, 0.937124 hours remaining, 240.097656 MB of memory in use. ENERGY: 3924600 3933.8014 20198.4661 14450.5036 258.9817 -204152.2218 3008.5333 0.0000 0.0000 52238.4070 -110063.5287 300.2148 -162301.9357 -109681.9389 298.4431 112.0605 141.6220 761461.3111 -6.2188 -6.2419 PRESSURE: 3924800 -524.414 31.0294 114.18 31.0296 -246.884 5.78867 114.18 5.78813 -151.515 GPRESSURE: 3924800 -424.253 96.101 66.7652 4.76182 -270.155 -24.2204 188.318 158.704 -128.41 PRESSAVG: 3924800 2.40004 -6.1232 -15.1064 -6.12324 18.2644 -5.30056 -15.1064 -5.30068 10.63 GPRESSAVG: 3924800 2.91387 -3.64254 -14.5893 -6.60221 17.2102 -5.82772 -15.4809 -4.67209 11.3076 TIMING: 3924800 CPU: 12465.7, 0.00317432/step Wall: 12465.7, 0.00317432/step, 0.948064 hours remaining, 240.097656 MB of memory in use. ENERGY: 3924800 4005.9739 20368.6718 14409.2658 258.8101 -203396.0321 2431.9477 0.0000 0.0000 51670.9187 -110250.4442 296.9535 -161921.3628 -109883.8719 298.4061 -307.6045 -274.2727 760437.2092 10.4315 10.4772 PRESSURE: 3925000 204.878 95.9688 -65.7346 95.9688 -61.8998 -125.306 -65.7349 -125.305 156.879 GPRESSURE: 3925000 163.777 117.038 -73.1444 87.6348 -43.6488 -68.6573 -108.134 -72.4601 257.014 PRESSAVG: 3925000 -13.906 -61.8558 50.4426 -61.8558 -35.8288 -28.409 50.4426 -28.4089 24.8104 GPRESSAVG: 3925000 -14.1131 -62.1003 47.7963 -61.6469 -35.1912 -27.2393 51.4447 -28.3453 24.7527 TIMING: 3925000 CPU: 12466.3, 0.00314748/step Wall: 12466.3, 0.00314748/step, 0.939871 hours remaining, 240.097656 MB of memory in use. ENERGY: 3925000 3970.8208 20595.7722 14400.9007 239.9316 -204245.5855 3018.5717 0.0000 0.0000 51815.5244 -110204.0641 297.7845 -162019.5886 -109862.2863 297.8294 99.9526 125.7140 761890.7420 -8.3081 -8.1838 PRESSURE: 3925200 -155.436 25.2503 154.845 25.2506 -675.115 183.263 154.845 183.264 -437.963 GPRESSURE: 3925200 -143.908 -76.9077 123.335 47.1529 -589.827 184.43 29.7519 246.833 -458.216 PRESSAVG: 3925200 19.9951 3.58136 47.7541 3.5813 27.5844 -20.3559 47.7541 -20.3558 6.86442 GPRESSAVG: 3925200 18.8834 3.73154 49.1951 2.87363 27.3194 -20.2614 46.8706 -20.6234 7.36665 TIMING: 3925200 CPU: 12466.9, 0.00314783/step Wall: 12466.9, 0.00314783/step, 0.939804 hours remaining, 240.097656 MB of memory in use. ENERGY: 3925200 4015.4026 20404.8231 14438.5271 240.2553 -203685.9565 2293.5677 0.0000 0.0000 52074.0735 -110219.3071 299.2704 -162293.3806 -109843.8070 298.0272 -422.8378 -397.3171 761303.1089 18.1480 17.8565 PRESSURE: 3925400 302.007 174.504 230.959 174.504 -301.743 280.263 230.959 280.263 -339.328 GPRESSURE: 3925400 313.828 100.707 236.662 148.613 -342.709 262.492 173.279 70.5804 -231.83 PRESSAVG: 3925400 97.8454 12.8197 56.6484 12.8198 -62.0579 -3.30632 56.6484 -3.30626 8.09446 GPRESSAVG: 3925400 98.204 11.837 56.8235 14.4318 -61.7158 -3.03635 59.1728 -4.46447 6.8974 TIMING: 3925400 CPU: 12467.6, 0.00315091/step Wall: 12467.6, 0.00315091/step, 0.940547 hours remaining, 240.097656 MB of memory in use. ENERGY: 3925400 4043.1667 20476.7359 14365.6634 254.7095 -203955.7664 2733.2054 0.0000 0.0000 51933.8758 -110148.4096 298.4647 -162082.2854 -109797.4446 298.1081 -113.0214 -86.9037 761257.8446 14.6273 14.4619 PRESSURE: 3925600 1.81808 -99.2107 -3.17364 -99.2109 -237.312 -92.7834 -3.17373 -92.7824 -31.3206 GPRESSURE: 3925600 -38.8304 -74.8633 -40.6231 -87.7278 -129.374 -116.511 113.269 -101.537 -19.938 PRESSAVG: 3925600 39.0973 -17.755 49.7581 -17.7549 -49.1975 -30.0116 49.758 -30.0116 -20.7182 GPRESSAVG: 3925600 38.4855 -18.936 49.8435 -18.6288 -48.2404 -31.4555 48.0828 -28.5172 -20.3703 TIMING: 3925600 CPU: 12468.2, 0.00316994/step Wall: 12468.2, 0.00316994/step, 0.946052 hours remaining, 240.097656 MB of memory in use. ENERGY: 3925600 4026.2745 20420.7233 14376.5984 244.3284 -203822.2899 2734.9552 0.0000 0.0000 51893.1508 -110126.2594 298.2307 -162019.4102 -109766.8519 298.4683 -88.9383 -62.7140 760277.7973 -10.2728 -10.0417 PRESSURE: 3925800 434.344 -97.5299 40.2856 -97.5301 412.214 27.2601 40.2856 27.2595 476.854 GPRESSURE: 3925800 522.784 -77.4098 58.7082 20.5187 413.665 40.5908 36.4801 -43.5063 462.744 PRESSAVG: 3925800 33.8223 -1.87605 32.0373 -1.87598 -34.7562 -12.549 32.0373 -12.549 -0.949685 GPRESSAVG: 3925800 34.7832 -0.880326 31.2671 -2.97621 -35.0695 -11.1696 31.2807 -15.6647 -1.20443 TIMING: 3925800 CPU: 12468.8, 0.00313747/step Wall: 12468.8, 0.00313747/step, 0.936185 hours remaining, 240.097656 MB of memory in use. ENERGY: 3925800 3935.4091 20571.1500 14431.5709 242.7778 -203674.2900 2662.6737 0.0000 0.0000 52027.3373 -109803.3713 299.0018 -161830.7086 -109448.2650 298.6138 441.1375 466.3978 758982.2972 -0.6279 -0.4969 PRESSURE: 3926000 -357.613 -104.315 -139.767 -104.315 148.112 -10.4838 -139.768 -10.4847 -670.068 GPRESSURE: 3926000 -297.701 -85.0207 -63.7582 -49.512 132.077 -30.5279 -165.381 95.8124 -628.864 PRESSAVG: 3926000 -13.0264 -12.5821 32.5962 -12.5822 33.9108 -13.2371 32.5961 -13.2372 -8.48185 GPRESSAVG: 3926000 -13.4962 -11.0162 33.7262 -9.87249 33.3783 -12.7993 31.4418 -10.3472 -8.22467 TIMING: 3926000 CPU: 12469.5, 0.00314625/step Wall: 12469.5, 0.00314625/step, 0.938633 hours remaining, 240.097656 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: 3926000 3980.3801 20628.3088 14438.4119 261.6853 -203443.6747 2610.5887 0.0000 0.0000 51654.2265 -109870.0734 296.8575 -161524.2999 -109507.1804 299.0026 -293.1900 -264.8291 760520.7599 4.1342 3.8858 PRESSURE: 3926200 -243.631 329.822 56.0374 329.823 -55.9409 311.638 56.0366 311.638 -83.4037 GPRESSURE: 3926200 -158.161 249.726 -5.92654 363.196 -90.1177 221.181 27.9037 312.088 -42.2577 PRESSAVG: 3926200 -68.5153 -8.13638 -29.6076 -8.13633 37.2641 31.7325 -29.6076 31.7325 0.541495 GPRESSAVG: 3926200 -67.1858 -9.11826 -30.6497 -10.034 36.446 30.0824 -26.9021 31.665 0.312736 TIMING: 3926200 CPU: 12470.1, 0.00314662/step Wall: 12470.1, 0.00314662/step, 0.938566 hours remaining, 240.097656 MB of memory in use. ENERGY: 3926200 3950.1914 20456.2239 14422.8320 258.0700 -203851.2919 2902.0322 0.0000 0.0000 52219.7499 -109642.1925 300.1076 -161861.9424 -109270.9744 298.9643 -127.6586 -96.8455 760764.7016 -10.2366 -10.1424 PRESSURE: 3926400 -77.1701 74.3111 33.5232 74.3115 -38.5813 -194.158 33.5228 -194.158 275.739 GPRESSURE: 3926400 -23.5884 89.809 65.4606 58.9874 67.0322 -249.796 13.6528 -126.703 178.422 PRESSAVG: 3926400 41.7912 -56.2835 81.8717 -56.2835 23.945 21.0777 81.8717 21.0776 -0.522364 GPRESSAVG: 3926400 41.7684 -55.8622 81.7412 -55.2487 23.9023 20.4815 83.2375 22.3399 0.13569 TIMING: 3926400 CPU: 12470.7, 0.00315344/step Wall: 12470.7, 0.00315344/step, 0.940426 hours remaining, 240.097656 MB of memory in use. ENERGY: 3926400 3949.7934 20529.6222 14461.4054 237.6581 -203178.8491 2206.3954 0.0000 0.0000 52343.6019 -109450.3727 300.8194 -161793.9746 -109086.6055 299.7518 53.3291 73.9553 759475.4926 21.7379 21.9355 PRESSURE: 3926600 112.664 -60.8209 -85.4211 -60.8205 -65.5565 -35.2651 -85.4204 -35.2646 62.0816 GPRESSURE: 3926600 41.4393 -17.3448 -82.1071 -79.634 7.7859 90.3495 7.57655 -158.206 132.893 PRESSAVG: 3926600 25.5663 -41.0435 -8.55688 -41.0435 -23.424 19.3325 -8.55691 19.3325 11.5187 GPRESSAVG: 3926600 25.4225 -41.3619 -8.39353 -40.6558 -21.8472 21.4242 -9.08952 15.8526 9.83782 TIMING: 3926600 CPU: 12471.4, 0.00316333/step Wall: 12471.4, 0.00316333/step, 0.943201 hours remaining, 240.097656 MB of memory in use. ENERGY: 3926600 3914.9687 20795.3636 14506.0569 228.7140 -203499.1776 2559.5994 0.0000 0.0000 52075.1832 -109419.2918 299.2768 -161494.4751 -109064.6423 299.8351 36.3963 60.7062 760992.8932 4.5536 4.4710 PRESSURE: 3926800 245.23 156.228 68.1628 156.228 -107.596 19.6586 68.1632 19.6591 305.433 GPRESSURE: 3926800 206.94 108.702 11.0952 118.867 -3.61547 69.9643 25.4053 -39.8723 316.003 PRESSAVG: 3926800 26.7233 -21.9574 21.1595 -21.9573 -24.6036 38.8731 21.1595 38.8731 18.3967 GPRESSAVG: 3926800 26.9711 -22.9985 20.5701 -22.2654 -25.9035 37.9031 19.4146 39.7408 19.8744 TIMING: 3926800 CPU: 12472, 0.00315722/step Wall: 12472, 0.00315721/step, 0.941201 hours remaining, 240.097656 MB of memory in use. ENERGY: 3926800 3960.4571 20535.6622 14447.3329 259.9233 -203569.2293 2559.2945 0.0000 0.0000 52353.1835 -109453.3758 300.8745 -161806.5593 -109087.7733 299.7829 147.6891 173.1091 759945.7230 6.8388 6.9807 PRESSURE: 3927000 -85.476 5.05589 83.9237 5.05677 -233.093 57.8457 83.9233 57.8466 253.337 GPRESSURE: 3927000 -31.364 -59.6329 129.932 -16.7737 -117.366 56.3492 63.9981 111.735 157.003 PRESSAVG: 3927000 64.1881 2.59357 15.4067 2.5935 -51.84 38.4229 15.4067 38.4229 13.2251 GPRESSAVG: 3927000 63.5343 2.23334 16.1831 4.84262 -51.9239 38.908 18.3166 39.82 13.5854 TIMING: 3927000 CPU: 12472.6, 0.0031314/step Wall: 12472.6, 0.0031314/step, 0.933331 hours remaining, 240.097656 MB of memory in use. ENERGY: 3927000 3979.2537 20515.7300 14445.2937 240.3530 -203183.2037 2358.2824 0.0000 0.0000 52024.3697 -109619.9212 298.9848 -161644.2909 -109251.9356 299.3553 -21.7440 2.7576 761090.9040 8.5244 8.3986 PRESSURE: 3927200 175.263 -64.005 -183.623 -64.0042 -215.279 161.012 -183.623 161.011 3.81493 GPRESSURE: 3927200 214.954 -22.8792 -143.444 63.8901 -265.807 69.4583 8.64144 259.528 82.4042 PRESSAVG: 3927200 62.9859 19.7696 -12.3546 19.7696 -78.2241 15.0284 -12.3546 15.0283 5.96067 GPRESSAVG: 3927200 63.0867 21.645 -14.1436 17.7885 -77.8761 14.8797 -14.1098 12.9349 5.26761 TIMING: 3927200 CPU: 12473.2, 0.00314525/step Wall: 12473.2, 0.00314525/step, 0.937285 hours remaining, 240.097656 MB of memory in use. ENERGY: 3927200 3907.8865 20491.7128 14468.6582 250.9914 -203169.4110 2299.0554 0.0000 0.0000 52036.8268 -109714.2799 299.0564 -161751.1067 -109346.4402 299.0155 -12.0668 10.5169 762063.4556 -3.0925 -3.1740 PRESSURE: 3927400 44.3313 -108.225 -107.13 -108.226 -10.635 232.095 -107.13 232.094 -101.619 GPRESSURE: 3927400 -14.1159 21.0613 -90.1596 -110.211 103.69 240.696 -93.3216 250.36 -77.3462 PRESSAVG: 3927400 44.8149 -9.03056 -26.0919 -9.03062 -34.5796 26.6317 -26.0919 26.6317 -3.02164 GPRESSAVG: 3927400 43.9094 -7.71887 -24.2444 -9.40784 -33.3547 26.487 -27.0949 26.2113 -2.54408 TIMING: 3927400 CPU: 12473.9, 0.00315986/step Wall: 12473.9, 0.00315986/step, 0.941463 hours remaining, 240.097656 MB of memory in use. ENERGY: 3927400 4031.5811 20506.6601 14454.6560 247.1450 -203622.5099 2697.5024 0.0000 0.0000 52090.2375 -109594.7278 299.3633 -161684.9652 -109236.2290 299.1422 -22.6410 4.0759 760593.9573 2.4045 2.6702 PRESSURE: 3927600 142.427 -154.813 -130.534 -154.813 58.4399 113.612 -130.534 113.613 56.7101 GPRESSURE: 3927600 202.107 -190.62 -201.392 -207.226 108.099 52.2394 -191.93 187.349 28.1212 PRESSAVG: 3927600 -4.90191 -17.3598 -31.9218 -17.3598 -11.3536 15.1448 -31.9218 15.1447 11.5322 GPRESSAVG: 3927600 -3.74925 -20.1133 -33.5875 -16.6589 -13.6774 15.2859 -30.6173 16.1744 12.5803 TIMING: 3927600 CPU: 12474.5, 0.00313376/step Wall: 12474.5, 0.00313376/step, 0.933512 hours remaining, 240.097656 MB of memory in use. ENERGY: 3927600 4039.2558 20606.3788 14464.8724 241.2572 -203457.0963 2502.1212 0.0000 0.0000 51793.4706 -109809.7402 297.6578 -161603.2107 -109457.6305 299.2795 85.8590 112.7757 760455.8346 -1.5744 -1.6154 PRESSURE: 3927800 -263.632 214.47 -11.142 214.469 -110.093 6.40654 -11.1424 6.40613 -392.716 GPRESSURE: 3927800 -234.222 160.177 12.7861 169.589 -75.4036 32.3839 87.9634 28.3068 -377.586 PRESSAVG: 3927800 38.214 31.8907 -50.3109 31.8907 -41.8381 -1.5009 -50.3109 -1.50097 10.0394 GPRESSAVG: 3927800 38.5367 32.7525 -47.6145 32.7429 -40.8712 -2.5175 -50.3422 0.0386595 8.74933 TIMING: 3927800 CPU: 12475.1, 0.00315263/step Wall: 12475.1, 0.00315263/step, 0.93896 hours remaining, 240.097656 MB of memory in use. ENERGY: 3927800 4019.3257 20526.5257 14478.2720 250.2070 -203508.5545 2379.7841 0.0000 0.0000 51983.0563 -109871.3836 298.7473 -161854.4400 -109513.7459 298.9744 -255.4804 -229.0705 761454.5968 2.1384 2.1383 PRESSURE: 3928000 190.549 12.7315 -133.851 12.7315 -45.6093 -148.692 -133.852 -148.692 287.872 GPRESSURE: 3928000 167.465 52.1615 -175.915 -57.5346 86.3086 -115.624 -98.3796 -68.2598 249.153 PRESSAVG: 3928000 33.2155 -0.801552 -37.8827 -0.801593 -23.2687 -2.96752 -37.8827 -2.9675 4.07683 GPRESSAVG: 3928000 33.9102 -2.77048 -39.9845 -1.5565 -24.646 -2.54309 -37.0857 -4.59457 4.91882 TIMING: 3928000 CPU: 12475.8, 0.00313504/step Wall: 12475.8, 0.00313504/step, 0.933547 hours remaining, 240.097656 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: 3928000 3940.5611 20496.3375 14474.7983 255.4094 -203712.1365 2886.3119 0.0000 0.0000 51804.0947 -109854.6236 297.7188 -161658.7183 -109497.3664 298.4650 144.2704 167.6421 760787.0847 4.6745 4.7277 PRESSURE: 3928200 31.5739 0.260551 191.504 0.259784 -69.3341 20.8826 191.503 20.8829 136.456 GPRESSURE: 3928200 19.9976 -149.696 150.607 18.0627 -23.4354 -33.8358 180.527 67.3068 173.352 PRESSAVG: 3928200 7.03633 9.35112 -9.50742 9.35113 -4.26634 24.7174 -9.50744 24.7174 -31.3484 GPRESSAVG: 3928200 6.25185 9.7537 -7.63511 9.37757 -3.40832 23.586 -11.9808 23.755 -32.0802 TIMING: 3928200 CPU: 12476.4, 0.00313635/step Wall: 12476.4, 0.00313635/step, 0.93376 hours remaining, 240.097656 MB of memory in use. ENERGY: 3928200 3976.9905 20626.9803 14450.6712 238.6817 -203187.1081 2343.9134 0.0000 0.0000 51933.0987 -109616.7722 298.4602 -161549.8709 -109261.3987 298.6415 32.8987 56.6380 761644.4217 -9.5261 -9.7456 LDB: ============= START OF LOAD BALANCING ============== 12488.8 LDB: ============== END OF LOAD BALANCING =============== 12488.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12488.8 LDB: ============= START OF LOAD BALANCING ============== 12489.2 LDB: Largest compute 7056 load 0.036801 is 18.8% of average load 0.195399 LDB: Average compute 0.004362 is 2.2% of average load 0.195399 LDB: TIME 12489.2 LOAD: AVG 0.195399 MAX 0.214591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 12489.2 LOAD: AVG 0.195399 MAX 0.214591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 12489.2 LOAD: AVG 0.195399 MAX 0.214591 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 12489.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12489.2 PRESSURE: 3928400 129.875 96.2526 -63.8229 96.2523 -299.75 -1.61644 -63.8231 -1.61662 -83.7987 GPRESSURE: 3928400 160.548 122.36 -43.5001 152.978 -266.457 -8.10192 23.4903 -15.1466 -67.7309 PRESSAVG: 3928400 20.5657 8.50769 9.90419 8.50775 -54.9352 14.6852 9.90421 14.6852 -3.3744 GPRESSAVG: 3928400 20.7361 10.653 7.30341 5.9817 -55.5475 15.2142 12.6542 15.9994 -2.77509 TIMING: 3928400 CPU: 12477, 0.00320866/step Wall: 12477, 0.00320866/step, 0.95511 hours remaining, 239.890625 MB of memory in use. ENERGY: 3928400 3959.4557 20762.7646 14364.3328 248.2433 -203752.9580 2920.9345 0.0000 0.0000 51859.0550 -109638.1720 298.0347 -161497.2271 -109287.1900 299.4107 -84.5579 -57.8799 762362.5141 -12.5813 -12.5288 PRESSURE: 3928600 -424.972 -211.161 -32.9414 -211.161 -131.238 311.499 -32.9423 311.501 80.8071 GPRESSURE: 3928600 -420.331 -129.693 -42.433 -155.35 -107.553 321.21 -23.2135 307.896 152.804 PRESSAVG: 3928600 48.1109 -33.6932 -19.8462 -33.6931 -59.5261 -0.619299 -19.8462 -0.619231 25.7146 GPRESSAVG: 3928600 48.0078 -33.3982 -19.0539 -33.3403 -60.7387 -3.79285 -20.7711 0.348849 27.0458 TIMING: 3928600 CPU: 12477.7, 0.00315127/step Wall: 12477.7, 0.00315127/step, 0.937852 hours remaining, 240.093750 MB of memory in use. ENERGY: 3928600 3997.4059 20543.0787 14442.9962 246.1634 -203814.4329 2655.1643 0.0000 0.0000 52115.2650 -109814.3595 299.5071 -161929.6245 -109453.7115 299.1905 -158.4678 -125.0269 761925.0485 4.7665 4.7716 PRESSURE: 3928800 331.645 -168.111 121.254 -168.111 -76.3834 -152.272 121.253 -152.272 405.365 GPRESSURE: 3928800 351.122 -159.741 160.819 -140.461 -16.1622 -106.852 -65.9701 -87.5715 400.066 PRESSAVG: 3928800 107.598 -18.8136 -2.24253 -18.8136 -80.0056 0.369222 -2.2425 0.369239 12.4887 GPRESSAVG: 3928800 107.358 -18.9215 -2.10748 -17.6432 -78.3562 3.4014 -4.15038 -1.50503 10.8849 TIMING: 3928800 CPU: 12478.3, 0.00314325/step Wall: 12478.3, 0.00314325/step, 0.93529 hours remaining, 240.093750 MB of memory in use. ENERGY: 3928800 3988.2199 20564.1721 14356.2153 265.6083 -204101.5038 3039.9932 0.0000 0.0000 52068.0278 -109819.2673 299.2357 -161887.2951 -109455.1052 299.1494 220.2092 245.0084 759529.8685 13.3604 13.2956 PRESSURE: 3929000 -18.6906 -17.3332 -68.8957 -17.3331 88.2652 169.21 -68.8968 169.21 121.843 GPRESSURE: 3929000 -10.8237 -29.7594 -33.5713 114.644 156.336 160.342 5.27015 38.3287 124.97 PRESSAVG: 3929000 52.8734 -2.1501 -3.31056 -2.15007 -99.3032 -12.0858 -3.3106 -12.0858 3.46359 GPRESSAVG: 3929000 52.9468 -3.96983 -1.85266 -0.606817 -99.7539 -11.411 -2.9562 -10.9124 3.55161 TIMING: 3929000 CPU: 12478.9, 0.00315621/step Wall: 12478.9, 0.00315621/step, 0.938972 hours remaining, 240.093750 MB of memory in use. ENERGY: 3929000 3970.7842 20559.7923 14481.9145 268.9688 -203950.7165 2874.8311 0.0000 0.0000 51854.1897 -109940.2359 298.0067 -161794.4256 -109580.4025 298.7183 63.8060 90.1606 760482.0066 -14.3221 -14.4185 PRESSURE: 3929200 120.828 -22.3666 -226.863 -22.3666 -320.075 16.0629 -226.863 16.0629 -102.028 GPRESSURE: 3929200 176.6 -93.6764 -285.437 -5.7279 -281.999 -22.3173 -220.596 132.363 -102.671 PRESSAVG: 3929200 70.5272 -7.5984 -34.3844 -7.59836 -68.5207 -11.1358 -34.3844 -11.1358 -14.5137 GPRESSAVG: 3929200 71.2191 -7.28403 -37.2579 -8.22341 -68.7713 -11.4525 -31.6808 -12.9849 -15.1403 TIMING: 3929200 CPU: 12479.6, 0.00315724/step Wall: 12479.6, 0.00315724/step, 0.939104 hours remaining, 240.093750 MB of memory in use. ENERGY: 3929200 4038.5788 20436.5139 14494.2562 233.0808 -203822.5792 2660.9735 0.0000 0.0000 52114.4918 -109844.6842 299.5027 -161959.1761 -109483.2336 298.4599 -100.4250 -69.3569 760865.1215 -4.1691 -4.2308 PRESSURE: 3929400 100.632 -44.8553 -149.275 -44.8555 -313.348 -90.3801 -149.275 -90.3802 343.231 GPRESSURE: 3929400 37.4885 120.203 -175.191 -0.984044 -150.731 -95.3991 -127.392 -45.8816 326.338 PRESSAVG: 3929400 61.7737 -19.8834 -63.9939 -19.8834 -52.7857 30.8866 -63.9939 30.8866 -20.9415 GPRESSAVG: 3929400 62.6 -18.0571 -62.2704 -20.2765 -52.7739 31.0874 -64.2042 30.62 -22.3962 TIMING: 3929400 CPU: 12480.2, 0.00317157/step Wall: 12480.2, 0.00317157/step, 0.94319 hours remaining, 240.093750 MB of memory in use. ENERGY: 3929400 3933.9508 20364.5344 14515.0993 251.9351 -203357.6462 2545.1187 0.0000 0.0000 52184.1590 -109562.8488 299.9031 -161747.0078 -109198.8003 299.3259 43.5050 71.0320 761462.8911 -3.9845 -4.1900 PRESSURE: 3929600 -258.82 -39.8532 -12.4769 -39.8528 -246.443 -206.66 -12.4766 -206.66 -403.393 GPRESSURE: 3929600 -206.23 -89.5668 -63.7788 -45.3636 -250.362 -231.03 -154.755 -176.522 -367.365 PRESSAVG: 3929600 47.9313 17.8857 -62.9365 17.8857 -75.6457 10.2042 -62.9366 10.2043 10.9024 GPRESSAVG: 3929600 48.3078 17.1574 -62.5604 17.4443 -76.5702 8.78634 -63.8478 10.4293 11.8916 TIMING: 3929600 CPU: 12480.8, 0.00318399/step Wall: 12480.8, 0.00318399/step, 0.946706 hours remaining, 240.093750 MB of memory in use. ENERGY: 3929600 3966.1109 20623.2956 14479.1375 243.9718 -203373.4099 2687.7013 0.0000 0.0000 51793.9996 -109579.1932 297.6608 -161373.1927 -109210.9614 299.5476 -302.8855 -274.6522 761518.1192 -5.6040 -5.4570 PRESSURE: 3929800 -261.889 -85.54 -311.025 -85.5399 -124.712 100.621 -311.024 100.621 -157.334 GPRESSURE: 3929800 -307.799 -126.005 -274.257 -17.8599 2.33238 21.5291 -300.485 54.2894 -173.891 PRESSAVG: 3929800 80.1087 13.0411 -19.508 13.0411 -35.3519 48.3012 -19.508 48.3011 1.88473 GPRESSAVG: 3929800 78.7174 13.1422 -19.0368 11.0803 -35.3587 48.8513 -20.4455 50.1838 3.32243 TIMING: 3929800 CPU: 12481.5, 0.00317973/step Wall: 12481.5, 0.00317973/step, 0.945264 hours remaining, 240.093750 MB of memory in use. ENERGY: 3929800 3923.9702 20512.1413 14487.8324 253.5521 -203381.7136 2428.9710 0.0000 0.0000 52187.1600 -109588.0867 299.9203 -161775.2466 -109212.1208 299.2608 -181.3114 -159.7856 760080.3768 15.5472 15.5604 PRESSURE: 3930000 -546.668 -120.7 -300.583 -120.699 4.82619 216.573 -300.583 216.572 -107.374 GPRESSURE: 3930000 -480.263 -36.2255 -291.353 -71.8277 8.97045 162.44 -115.516 137.595 -85.6572 PRESSAVG: 3930000 -9.02353 27.146 -6.88938 27.1461 -40.5214 8.48338 -6.88944 8.48339 25.8016 GPRESSAVG: 3930000 -8.73558 24.4796 -8.83127 31.4858 -39.4915 7.58058 -4.50619 8.22089 24.5744 TIMING: 3930000 CPU: 12482.1, 0.00318111/step Wall: 12482.1, 0.00318111/step, 0.945497 hours remaining, 240.093750 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: 3930000 4098.6414 20435.8079 14376.3468 257.8903 -203010.1962 2433.1498 0.0000 0.0000 52035.2119 -109373.1482 299.0471 -161408.3601 -109008.5414 299.9021 -216.4051 -185.6499 762153.7179 -7.9145 -7.8842 PRESSURE: 3930200 80.2257 -267.888 117.999 -267.887 -71.3296 -18.2971 117.998 -18.2969 -302.644 GPRESSURE: 3930200 46.3038 -225.722 158.178 -415.672 -59.1516 98.4069 26.2986 -101.115 -212.727 PRESSAVG: 3930200 -29.2521 -45.0967 7.71157 -45.0967 61.9511 37.4097 7.71152 37.4097 30.8816 GPRESSAVG: 3930200 -29.7261 -41.8809 8.88595 -47.0746 61.8855 38.0818 6.37559 36.5195 31.6281 TIMING: 3930200 CPU: 12482.7, 0.00318319/step Wall: 12482.7, 0.00318319/step, 0.945939 hours remaining, 240.093750 MB of memory in use. ENERGY: 3930200 4000.8352 20468.9616 14362.5428 249.5097 -203163.7840 2709.3724 0.0000 0.0000 52113.3874 -109259.1750 299.4964 -161372.5624 -108895.0424 299.7295 -97.9160 -75.1917 762122.5358 21.1935 21.2625 PRESSURE: 3930400 -254.325 40.5867 87.7788 40.5872 184.923 -67.9344 87.7782 -67.9346 -156.116 GPRESSURE: 3930400 -216.917 2.26807 129.307 51.8129 286.904 -104.361 -6.06726 -79.0779 -207.871 PRESSAVG: 3930400 14.6458 -18.6233 12.2751 -18.6233 -35.2862 -5.26638 12.275 -5.26637 -13.1949 GPRESSAVG: 3930400 14.126 -18.0988 11.5267 -17.877 -34.236 -5.05251 12.1323 -4.09 -13.42 TIMING: 3930400 CPU: 12483.4, 0.0031677/step Wall: 12483.4, 0.0031677/step, 0.941159 hours remaining, 240.093750 MB of memory in use. ENERGY: 3930400 3972.8965 20481.3858 14446.2047 238.2369 -203007.3013 2246.9897 0.0000 0.0000 52208.1250 -109413.4627 300.0408 -161621.5877 -109043.6151 299.7395 -75.1729 -45.9615 761436.9468 -11.2784 -11.1767 PRESSURE: 3930600 -99.2356 155.707 9.97215 155.708 -231.446 9.94402 9.97221 9.9439 -21.4579 GPRESSURE: 3930600 -85.5946 78.2638 80.6917 71.667 -196.929 -44.3374 111.555 -48.4858 34.36 PRESSAVG: 3930600 15.2027 12.9888 21.7701 12.9888 -9.01558 -28.5817 21.7701 -28.5817 16.9306 GPRESSAVG: 3930600 15.3393 11.4244 22.403 12.0551 -9.88279 -30.0614 22.5001 -28.976 17.3211 TIMING: 3930600 CPU: 12484, 0.00315337/step Wall: 12484, 0.00315337/step, 0.936726 hours remaining, 240.093750 MB of memory in use. ENERGY: 3930600 4076.2318 20399.2511 14442.6925 243.2041 -203241.2656 2513.6457 0.0000 0.0000 52001.6001 -109564.6402 298.8539 -161566.2403 -109201.3730 299.3264 -117.3797 -82.7213 759754.6349 7.7059 7.5925 PRESSURE: 3930800 -212.339 -96.2193 -59.2788 -96.2188 -253.313 -12.9557 -59.2786 -12.9556 -244.223 GPRESSURE: 3930800 -153.231 -65.0236 -111.752 -79.9953 -228.145 3.73604 44.9415 -0.50166 -251.691 PRESSAVG: 3930800 -20.6748 16.2288 43.308 16.2289 49.2973 58.5449 43.308 58.5449 15.4237 GPRESSAVG: 3930800 -19.9548 15.7035 41.6647 17.0278 49.7662 59.593 43.9753 57.9249 14.2771 TIMING: 3930800 CPU: 12484.6, 0.00313601/step Wall: 12484.6, 0.00313601/step, 0.931395 hours remaining, 240.093750 MB of memory in use. ENERGY: 3930800 3929.1130 20305.4096 14382.5791 266.1405 -202747.5370 2277.4780 0.0000 0.0000 52348.4804 -109238.3364 300.8474 -161586.8168 -108869.7525 300.4042 -236.6252 -211.0221 763098.9524 14.6821 14.6962 PRESSURE: 3931000 -68.9642 -66.1872 97.4268 -66.1868 -282.199 81.7623 97.4266 81.7623 99.9422 GPRESSURE: 3931000 -8.21957 -32.5004 70.7912 -23.3564 -226.689 88.9695 109.74 186.615 49.5558 PRESSAVG: 3931000 36.9481 15.4632 -16.6675 15.4632 -92.8355 20.6255 -16.6675 20.6255 0.960358 GPRESSAVG: 3931000 37.0254 16.3335 -15.0519 16.4068 -93.4984 20.0602 -16.8011 21.7132 1.57701 TIMING: 3931000 CPU: 12485.3, 0.0031584/step Wall: 12485.3, 0.0031584/step, 0.937871 hours remaining, 240.093750 MB of memory in use. ENERGY: 3931000 4016.5757 20521.0656 14443.4566 232.0761 -203084.8556 2592.3088 0.0000 0.0000 52106.6327 -109172.7401 299.4575 -161279.3728 -108810.3844 299.9945 -83.7403 -61.7843 761564.8145 -18.3090 -18.2987 PRESSURE: 3931200 29.2923 1.95407 -199.229 1.95378 247.702 -81.6853 -199.229 -81.6854 401.415 GPRESSURE: 3931200 164.131 -22.3936 -131.314 15.5749 219.64 -126.627 -105.814 -47.4244 381.592 PRESSAVG: 3931200 35.2234 40.3985 5.26696 40.3985 -31.8874 15.6055 5.26696 15.6055 -13.1282 GPRESSAVG: 3931200 36.4988 41.75 4.78056 38.5014 -32.7042 14.8691 4.46544 15.3447 -13.3932 TIMING: 3931200 CPU: 12485.9, 0.00314581/step Wall: 12485.9, 0.00314581/step, 0.933955 hours remaining, 240.093750 MB of memory in use. ENERGY: 3931200 3965.6916 20506.0310 14409.0419 243.6244 -203436.9107 2808.6241 0.0000 0.0000 52331.3974 -109172.5003 300.7493 -161503.8977 -108813.7599 300.2984 226.1365 255.1211 760929.5989 -3.2640 -3.1995 PRESSURE: 3931400 231.982 15.252 165.64 15.2508 -320.4 82.9409 165.641 82.9401 -153.554 GPRESSURE: 3931400 258.133 77.2509 93.3516 74.8405 -250.273 110.852 181.516 -46.1465 -149.894 PRESSAVG: 3931400 -47.2294 20.8645 -17.8988 20.8645 6.38813 -42.0856 -17.8988 -42.0856 12.3576 GPRESSAVG: 3931400 -47.824 19.8286 -18.2387 19.8163 7.28369 -40.5874 -17.5082 -42.3104 12.278 TIMING: 3931400 CPU: 12486.5, 0.00317792/step Wall: 12486.5, 0.00317792/step, 0.943314 hours remaining, 240.093750 MB of memory in use. ENERGY: 3931400 3986.6611 20371.9982 14459.0896 246.2111 -202961.3973 2460.1361 0.0000 0.0000 52081.7221 -109355.5791 299.3144 -161437.3012 -108988.5198 299.9560 -80.6574 -47.3447 761303.1537 -9.4946 -9.4208 PRESSURE: 3931600 364.425 -53.0243 95.0409 -53.0246 329.338 125.42 95.042 125.419 101.892 GPRESSURE: 3931600 401.896 -118.064 38.2819 -65.081 345.14 167.151 -14.3907 156.228 129.694 PRESSAVG: 3931600 -0.448993 -7.95345 24.8379 -7.95343 16.3548 60.9012 24.8379 60.9013 -14.4396 GPRESSAVG: 3931600 -0.871248 -7.28078 26.1623 -8.88907 15.2492 62.29 24.8936 60.3941 -13.0042 TIMING: 3931600 CPU: 12487.1, 0.00314454/step Wall: 12487.1, 0.00314454/step, 0.93323 hours remaining, 240.093750 MB of memory in use. ENERGY: 3931600 3940.1617 20667.7005 14416.4655 235.4453 -203198.2189 2592.7550 0.0000 0.0000 52019.8939 -109325.7971 298.9590 -161345.6910 -108966.8374 299.6423 265.2181 292.2432 759904.1986 0.4887 0.4579 PRESSURE: 3931800 -98.0081 -14.7497 87.5089 -14.7508 320.456 104.074 87.5084 104.075 245.902 GPRESSURE: 3931800 -100.614 -42.3342 13.8682 -61.3376 370.057 129.95 129.928 65.8532 261.54 PRESSAVG: 3931800 48.673 -46.2547 5.7684 -46.2546 -46.7979 -3.54836 5.76841 -3.54839 -3.32967 GPRESSAVG: 3931800 47.9115 -45.4326 4.59455 -45.0079 -46.286 -4.69766 4.27313 -3.1188 -3.44997 TIMING: 3931800 CPU: 12487.8, 0.00315742/step Wall: 12487.8, 0.00315742/step, 0.936878 hours remaining, 240.093750 MB of memory in use. ENERGY: 3931800 3958.4095 20486.0724 14446.9918 255.5422 -203295.5832 2589.2244 0.0000 0.0000 52258.2811 -109301.0619 300.3291 -161559.3430 -108936.1878 300.1157 156.1163 176.9944 761099.7448 -0.4848 -0.6082 PRESSURE: 3932000 272.018 -57.3145 14.7953 -57.3152 -331.146 197.277 14.7955 197.277 -267.118 GPRESSURE: 3932000 287.848 -24.6528 160.683 6.2301 -328.644 248.455 1.78538 173.143 -186.351 PRESSAVG: 3932000 61.3674 -4.67572 7.31821 -4.6757 -52.5985 -23.5905 7.31823 -23.5906 6.24881 GPRESSAVG: 3932000 61.9315 -4.37466 9.82745 -4.58394 -52.0017 -23.5826 7.05751 -23.0946 5.33235 TIMING: 3932000 CPU: 12488.4, 0.00315999/step Wall: 12488.4, 0.00315999/step, 0.937464 hours remaining, 240.093750 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: 3932000 3978.6053 20484.0084 14432.3698 266.7919 -203098.5112 2445.6360 0.0000 0.0000 52269.3851 -109221.7148 300.3929 -161491.0999 -108853.8141 299.4183 -108.7485 -75.7158 762406.4923 5.0059 5.0874 PRESSURE: 3932200 -89.9821 43.2115 -125.154 43.2117 -234.167 -7.83137 -125.154 -7.83055 -232.039 GPRESSURE: 3932200 -33.2233 106.87 -98.9421 -83.5028 -161.634 -32.4003 -108.736 -25.9234 -259.877 PRESSAVG: 3932200 43.4895 -14.1295 11.5267 -14.1294 -75.314 53.029 11.5268 53.0291 10.9478 GPRESSAVG: 3932200 42.6206 -16.4785 9.71826 -13.69 -75.8684 53.5072 13.3747 51.6148 12.5653 TIMING: 3932200 CPU: 12489, 0.00317116/step Wall: 12489, 0.00317116/step, 0.940602 hours remaining, 240.093750 MB of memory in use. ENERGY: 3932200 4033.7935 20552.1712 14481.5675 231.6233 -202875.6803 2188.7417 0.0000 0.0000 52044.7000 -109343.0830 299.1016 -161387.7831 -108981.2201 299.8547 -185.3960 -151.5781 761685.4713 -6.9589 -6.8941 LDB: ============= START OF LOAD BALANCING ============== 12501.5 LDB: ============== END OF LOAD BALANCING =============== 12501.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12501.5 LDB: ============= START OF LOAD BALANCING ============== 12501.8 LDB: Largest compute 7073 load 0.032944 is 16.9% of average load 0.195482 LDB: Average compute 0.004348 is 2.2% of average load 0.195482 LDB: TIME 12501.8 LOAD: AVG 0.195482 MAX 0.21389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 12501.8 LOAD: AVG 0.195482 MAX 0.21389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 12501.8 LOAD: AVG 0.195482 MAX 0.21389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 12501.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12501.8 PRESSURE: 3932400 -57.8345 262.386 -164.595 262.386 188.481 -4.46697 -164.594 -4.4662 -8.96025 GPRESSURE: 3932400 -63.0084 199.664 -74.8933 198.444 181.345 -14.1004 -137.201 96.7812 75.7404 PRESSAVG: 3932400 -25.905 -36.301 -24.6253 -36.301 38.5351 -16.5981 -24.6253 -16.5981 4.15172 GPRESSAVG: 3932400 -25.3848 -34.7026 -24.5957 -36.9283 39.0943 -17.541 -26.8571 -16.4281 3.32001 TIMING: 3932400 CPU: 12489.7, 0.00323824/step Wall: 12489.7, 0.00323824/step, 0.960317 hours remaining, 240.406250 MB of memory in use. ENERGY: 3932400 3990.6180 20614.8140 14518.0836 230.0527 -203636.6355 2757.2833 0.0000 0.0000 52012.9563 -109512.8275 298.9192 -161525.7838 -109143.6218 299.2617 40.5620 64.6923 761226.3725 5.5939 5.6765 PRESSURE: 3932600 28.3311 88.0445 115.262 88.0444 -75.1041 13.1037 115.262 13.1045 -39.3698 GPRESSURE: 3932600 87.4004 150.966 182.814 21.8396 32.7478 -50.9772 163.089 -108.426 -110.216 PRESSAVG: 3932600 6.61765 19.1211 -59.1294 19.1211 15.1397 36.6279 -59.1293 36.628 25.0001 GPRESSAVG: 3932600 6.42674 17.3119 -59.3239 19.9607 15.0853 37.2941 -56.3157 38.1733 25.5396 TIMING: 3932600 CPU: 12490.3, 0.00313647/step Wall: 12490.3, 0.00313647/step, 0.929964 hours remaining, 240.406250 MB of memory in use. ENERGY: 3932600 4022.2604 20458.0977 14474.5842 220.9011 -203213.9953 2468.8262 0.0000 0.0000 52074.4421 -109494.8836 299.2725 -161569.3257 -109123.9468 299.2549 -28.7143 3.3107 759831.9929 15.5858 15.6839 PRESSURE: 3932800 204.672 132.009 60.2776 132.009 -82.5237 94.1615 60.2769 94.1611 21.511 GPRESSURE: 3932800 260.968 19.8144 127.368 130.867 -30.1527 48.0229 -13.7271 144.465 6.45832 PRESSAVG: 3932800 -7.6772 32.1486 -0.2904 32.1487 7.01248 29.8466 -0.29035 29.8466 12.2137 GPRESSAVG: 3932800 -6.53095 34.8737 -1.19065 31.4433 6.46095 27.9244 -2.71449 30.0836 11.4803 TIMING: 3932800 CPU: 12490.9, 0.00313904/step Wall: 12490.9, 0.00313904/step, 0.93055 hours remaining, 240.406250 MB of memory in use. ENERGY: 3932800 3920.6936 20741.8843 14544.4328 242.6274 -203451.3681 2411.0834 0.0000 0.0000 51928.6956 -109661.9509 298.4349 -161590.6465 -109308.5039 299.1233 47.8865 79.0912 760914.4560 3.8497 3.8034 PRESSURE: 3933000 -65.1651 -36.4019 44.9069 -36.4014 -184.493 64.7288 44.9057 64.7285 25.8049 GPRESSURE: 3933000 56.2183 29.1311 0.020565 -47.1445 -90.7366 84.2945 65.3786 157.587 -84.568 PRESSAVG: 3933000 38.0313 15.2062 -39.4553 15.2062 -47.415 34.9474 -39.4553 34.9474 4.41541 GPRESSAVG: 3933000 39.4417 12.2928 -38.398 16.7937 -48.286 36.6842 -38.6811 35.0687 4.04146 TIMING: 3933000 CPU: 12491.6, 0.00315231/step Wall: 12491.6, 0.00315231/step, 0.934308 hours remaining, 240.406250 MB of memory in use. ENERGY: 3933000 4016.3312 20528.3147 14497.7877 244.4827 -203054.2993 2361.4050 0.0000 0.0000 51741.2661 -109664.7119 297.3578 -161405.9780 -109299.6960 298.9059 -74.6177 -39.6954 760459.6848 -1.6561 -1.6010 PRESSURE: 3933200 259.335 79.47 -82.4413 79.4695 191.407 -98.8793 -82.4417 -98.8798 243.988 GPRESSURE: 3933200 253.055 185.266 -99.1335 -102.954 231.711 -133.278 -161.687 51.0413 300.835 PRESSAVG: 3933200 -29.5505 42.025 5.48613 42.0249 17.7694 70.0449 5.48611 70.0449 1.61611 GPRESSAVG: 3933200 -31.7308 42.9161 5.09065 42.3172 18.8988 69.2704 2.86854 70.2566 2.59951 TIMING: 3933200 CPU: 12492.2, 0.00315567/step Wall: 12492.2, 0.00315568/step, 0.935132 hours remaining, 240.406250 MB of memory in use. ENERGY: 3933200 3954.7252 20529.3955 14391.1417 245.2776 -204199.1469 3223.9036 0.0000 0.0000 52100.4108 -109754.2925 299.4218 -161854.7033 -109404.8253 298.9722 231.5765 261.8673 759583.3197 -3.3883 -3.4108 PRESSURE: 3933400 232.222 27.3869 256.627 27.3878 -27.4126 -52.388 256.626 -52.3887 113.818 GPRESSURE: 3933400 254.719 -26.8366 195.774 28.8576 -19.4418 -52.1902 207.561 -9.62539 161.153 PRESSAVG: 3933400 18.2389 0.718744 -32.6914 0.718749 -9.39063 27.1447 -32.6914 27.1446 2.29244 GPRESSAVG: 3933400 19.457 -0.618809 -32.9013 -0.358746 -10.4676 29.0168 -30.1259 24.8094 2.12313 TIMING: 3933400 CPU: 12492.8, 0.00313772/step Wall: 12492.8, 0.00313772/step, 0.929636 hours remaining, 240.406250 MB of memory in use. ENERGY: 3933400 3949.2004 20567.2048 14401.3592 253.5928 -203898.6558 2763.9791 0.0000 0.0000 52323.6359 -109639.6835 300.7047 -161963.3194 -109278.1297 299.0687 106.2089 132.1435 760704.5053 3.7136 3.7042 PRESSURE: 3933600 -439.445 -53.5445 130.791 -53.5454 -132.671 208.491 130.791 208.491 30.6533 GPRESSURE: 3933600 -347.201 -64.6535 94.4566 49.2698 -64.3913 283.469 68.5919 96.3944 -50.1879 PRESSAVG: 3933600 66.4329 -29.2518 56.5242 -29.2518 -89.2339 -21.3737 56.5242 -21.3736 -18.761 GPRESSAVG: 3933600 65.5155 -27.5917 56.8243 -29.3476 -87.8696 -21.3562 55.303 -19.5609 -19.2352 TIMING: 3933600 CPU: 12493.5, 0.00317002/step Wall: 12493.5, 0.00317002/step, 0.93903 hours remaining, 240.406250 MB of memory in use. ENERGY: 3933600 3931.8730 20604.7274 14453.4486 239.6710 -203144.6609 2316.0459 0.0000 0.0000 52059.3077 -109539.5874 299.1856 -161598.8951 -109178.9999 299.4759 -180.4875 -153.9267 763166.1640 -13.8540 -13.8631 PRESSURE: 3933800 -64.5286 227.578 8.64772 227.579 -132.984 154.184 8.64687 154.184 -204.029 GPRESSURE: 3933800 -11.5161 246.814 32.9109 234.061 -134.823 183.216 70.0379 174.593 -191.092 PRESSAVG: 3933800 58.3074 -3.25181 10.747 -3.25171 -48.0725 2.40288 10.747 2.40286 14.4611 GPRESSAVG: 3933800 58.8743 -3.18632 11.8322 -2.64719 -49.051 2.0969 14.235 -0.150023 14.7606 TIMING: 3933800 CPU: 12494.1, 0.00316103/step Wall: 12494.1, 0.00316103/step, 0.93619 hours remaining, 240.406250 MB of memory in use. ENERGY: 3933800 3952.5137 20566.3734 14482.9315 251.0528 -202966.1345 2459.8801 0.0000 0.0000 51755.7767 -109497.6063 297.4412 -161253.3830 -109136.6606 298.7837 -133.8474 -112.4771 763996.3694 8.2320 8.1946 PRESSURE: 3934000 218.283 22.537 100.515 22.5371 29.1096 -59.6663 100.516 -59.6671 192.914 GPRESSURE: 3934000 295.72 -101.302 53.1214 77.0685 59.3677 -100.877 145.711 -40.6261 159.26 PRESSAVG: 3934000 -8.91988 -36.1279 67.669 -36.1279 6.03399 8.05465 67.6691 8.05457 12.1045 GPRESSAVG: 3934000 -7.47167 -37.6937 68.251 -35.7432 5.61321 6.83396 66.0274 9.45645 11.6162 TIMING: 3934000 CPU: 12494.7, 0.00316775/step Wall: 12494.7, 0.00316775/step, 0.938006 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 3951.4129 20475.8528 14456.3734 253.6131 -203274.3349 2872.1460 0.0000 0.0000 51794.7989 -109470.1378 297.6654 -161264.9366 -109107.2902 298.9713 146.7691 171.4491 761936.5456 3.0729 3.2526 PRESSURE: 3934200 31.9747 -147.143 -19.5388 -147.143 -228.318 -53.7051 -19.5391 -53.7062 -113.009 GPRESSURE: 3934200 55.061 -94.815 -77.5029 -39.0002 -215.27 -6.05388 -3.41463 -158.653 -47.759 PRESSAVG: 3934200 35.3278 3.54266 -3.1708 3.54274 -28.4148 40.7557 -3.17074 40.7557 13.164 GPRESSAVG: 3934200 35.1244 4.81017 -3.59411 2.62897 -28.7122 40.9549 -4.31135 40.8921 13.9017 TIMING: 3934200 CPU: 12495.4, 0.00314544/step Wall: 12495.4, 0.00314544/step, 0.931225 hours remaining, 240.406250 MB of memory in use. ENERGY: 3934200 3948.3023 20478.7667 14447.8885 239.0812 -203210.9852 2424.6933 0.0000 0.0000 51985.1633 -109687.0899 298.7594 -161672.2532 -109323.2890 298.7106 -103.1173 -69.3227 760489.6719 6.6923 6.7713 PRESSURE: 3934400 -163.431 1.23723 174.245 1.23764 279.371 -41.9828 174.246 -41.9822 -170.825 GPRESSURE: 3934400 -87.7211 103.271 99.8224 25.745 310.287 -28.8492 97.4938 -122.501 -179.754 PRESSAVG: 3934400 36.1123 -18.7231 11.7622 -18.723 -16.5601 -2.60662 11.7622 -2.6066 39.3587 GPRESSAVG: 3934400 36.3438 -16.5306 9.64101 -18.6119 -15.0464 -2.37395 13.1789 -1.27371 38.1941 TIMING: 3934400 CPU: 12496, 0.00316658/step Wall: 12496, 0.00316658/step, 0.937306 hours remaining, 240.406250 MB of memory in use. ENERGY: 3934400 3934.6065 20511.3990 14442.1366 283.4786 -203454.9906 2524.3126 0.0000 0.0000 52132.4794 -109626.5779 299.6061 -161759.0573 -109258.5727 299.2052 -18.2949 14.2708 760199.4715 19.6370 19.8305 PRESSURE: 3934600 -330.31 25.5643 -42.8134 25.5649 -370.59 94.9731 -42.8134 94.9734 25.4284 GPRESSURE: 3934600 -251.257 53.2931 -50.4601 -62.5658 -371.321 54.0505 -130.857 156.819 11.9227 PRESSAVG: 3934600 32.0346 17.7526 17.0848 17.7526 -22.6985 -17.4162 17.0847 -17.4162 -11.6308 GPRESSAVG: 3934600 31.2101 16.652 17.9576 17.9157 -22.9472 -17.1802 15.7842 -18.5398 -10.966 TIMING: 3934600 CPU: 12496.6, 0.00315195/step Wall: 12496.6, 0.00315195/step, 0.932803 hours remaining, 240.406250 MB of memory in use. ENERGY: 3934600 3937.6292 20568.5060 14486.0970 221.3148 -203706.9983 2610.3396 0.0000 0.0000 52136.0336 -109747.0781 299.6265 -161883.1117 -109388.6674 299.2488 -225.1573 -203.5517 758646.5915 -0.7649 -0.9010 PRESSURE: 3934800 209.439 0.42362 -68.2037 0.423513 158.479 193.483 -68.2027 193.483 29.3553 GPRESSURE: 3934800 147.217 67.6835 -83.378 47.7513 236.217 230.242 83.875 78.5325 68.2712 PRESSAVG: 3934800 79.5709 17.8999 13.8684 17.8999 -36.6176 22.406 13.8684 22.4059 -14.1668 GPRESSAVG: 3934800 78.9996 17.474 13.4533 19.2632 -37.225 22.7244 13.6834 23.7302 -12.8801 TIMING: 3934800 CPU: 12497.3, 0.00313905/step Wall: 12497.3, 0.00313905/step, 0.928811 hours remaining, 240.406250 MB of memory in use. ENERGY: 3934800 4004.9795 20591.4596 14469.6475 228.7317 -203631.4053 2539.5212 0.0000 0.0000 51842.5968 -109954.4689 297.9401 -161797.0657 -109599.7290 298.8668 132.4241 150.5683 759425.3311 9.5955 9.6315 PRESSURE: 3935000 86.0122 -14.8685 -169.372 -14.8681 -172.752 71.4944 -169.372 71.4946 -45.355 GPRESSURE: 3935000 85.3468 -6.41439 -117.798 107.47 -90.9375 174.797 -100.582 -105.574 -39.201 PRESSAVG: 3935000 43.9756 21.2097 -37.0962 21.2097 -82.2304 1.07741 -37.0962 1.07739 9.61038 GPRESSAVG: 3935000 45.1129 21.1981 -36.1555 20.5978 -82.8502 0.284133 -36.4068 -1.73105 9.3013 TIMING: 3935000 CPU: 12497.9, 0.00314858/step Wall: 12497.9, 0.00314858/step, 0.931454 hours remaining, 240.406250 MB of memory in use. ENERGY: 3935000 4037.3770 20493.3405 14444.9442 241.9327 -203455.7487 2340.2029 0.0000 0.0000 51933.4861 -109964.4652 298.4625 -161897.9513 -109613.1139 298.1640 -44.0317 -14.9306 758436.9750 -9.5481 -9.4787 PRESSURE: 3935200 -356.718 51.0853 -140.276 51.0843 -97.6877 13.7412 -140.276 13.7409 -237.853 GPRESSURE: 3935200 -236.259 -19.9109 -118.892 -17.9513 -165.707 -3.94603 -185.348 74.1041 -205.125 PRESSAVG: 3935200 54.3284 -5.74159 -22.0251 -5.74169 -26.0075 64.1115 -22.0251 64.1116 16.0332 GPRESSAVG: 3935200 53.7652 -7.41507 -21.8258 -6.13331 -26.2802 63.7652 -22.9009 65.8701 16.2766 TIMING: 3935200 CPU: 12498.5, 0.0031373/step Wall: 12498.5, 0.0031373/step, 0.927944 hours remaining, 240.406250 MB of memory in use. ENERGY: 3935200 3981.9721 20553.0158 14485.3381 253.8588 -203769.8451 2413.3652 0.0000 0.0000 52189.2123 -109893.0829 299.9321 -162082.2952 -109525.6757 298.2901 -230.7529 -202.3640 759194.7941 14.7847 14.5872 PRESSURE: 3935400 -8.13516 -6.33872 -5.28643 -6.33875 -64.6657 154.526 -5.28667 154.526 -99.067 GPRESSURE: 3935400 -14.1947 78.7911 115.717 -24.188 70.973 121.209 -43.1169 119.191 -135.319 PRESSAVG: 3935400 46.0969 -59.2702 -23.5522 -59.2702 -9.61485 -4.71983 -23.5522 -4.71983 1.92661 GPRESSAVG: 3935400 46.0075 -58.1243 -22.5682 -61.5351 -9.54695 -3.11177 -23.8306 -4.54858 1.60192 TIMING: 3935400 CPU: 12499.1, 0.00315381/step Wall: 12499.1, 0.00315381/step, 0.932652 hours remaining, 240.406250 MB of memory in use. ENERGY: 3935400 3974.0884 20407.7850 14477.9700 236.9041 -203358.3101 2262.9763 0.0000 0.0000 51958.8517 -110039.7346 298.6082 -161998.5862 -109676.2467 298.3791 -57.2893 -26.1802 760150.1397 12.8029 12.6875 PRESSURE: 3935600 59.9821 8.08268 178.201 8.08283 269.387 -42.4993 178.201 -42.4983 -326.658 GPRESSURE: 3935600 63.8962 -18.7669 184.767 4.87766 335.133 -2.25026 187.58 10.6388 -303.766 PRESSAVG: 3935600 4.6961 -74.946 46.8122 -74.9461 -31.6417 16.6485 46.8122 16.6485 21.536 GPRESSAVG: 3935600 4.92107 -74.0306 46.2352 -72.7457 -31.323 14.9565 46.8003 16.2108 20.9364 TIMING: 3935600 CPU: 12499.8, 0.00315426/step Wall: 12499.8, 0.00315426/step, 0.93261 hours remaining, 240.406250 MB of memory in use. ENERGY: 3935600 3898.3599 20476.4207 14475.0237 240.0462 -203680.7460 2640.3534 0.0000 0.0000 52110.5725 -109839.9695 299.4802 -161950.5420 -109471.0059 298.2272 0.9039 31.7543 759626.1561 -1.8032 -1.8218 PRESSURE: 3935800 -108.05 -177.049 -284.92 -177.048 -108.894 -101.288 -284.921 -101.288 204.379 GPRESSURE: 3935800 -111.554 -55.3194 -339.567 -186.239 61.6052 -80.8004 -242.902 58.879 112.555 PRESSAVG: 3935800 -8.49304 -2.28655 13.0378 -2.28653 68.323 -14.7209 13.0378 -14.7209 2.53404 GPRESSAVG: 3935800 -8.12789 -4.03767 10.9623 -2.49766 68.3171 -12.3088 14.968 -15.2786 2.19198 TIMING: 3935800 CPU: 12500.4, 0.00313998/step Wall: 12500.4, 0.00313998/step, 0.928212 hours remaining, 240.406250 MB of memory in use. ENERGY: 3935800 3975.4076 20600.0472 14524.0322 248.7666 -203506.4897 2596.7481 0.0000 0.0000 51996.8410 -109564.6470 298.8266 -161561.4880 -109197.8434 298.9076 -4.1883 20.8689 760094.2258 20.7880 20.7937 PRESSURE: 3936000 -323.6 51.6194 63.4608 51.6194 -252.403 23.6785 63.4619 23.6791 38.3933 GPRESSURE: 3936000 -270.033 -118.693 31.3142 83.8366 -345.68 76.7149 84.4853 138.002 160.836 PRESSAVG: 3936000 51.9135 -37.894 -5.9548 -37.894 -33.2864 -23.2324 -5.95481 -23.2324 -1.48791 GPRESSAVG: 3936000 51.8639 -38.7573 -4.54505 -36.7175 -33.2503 -24.1712 -5.13319 -20.8065 -1.67521 TIMING: 3936000 CPU: 12501, 0.00314584/step Wall: 12501, 0.00314584/step, 0.929772 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 3933.1348 20530.5731 14428.3031 244.1241 -202921.1323 2230.2353 0.0000 0.0000 52215.4147 -109339.3472 300.0827 -161554.7619 -108968.2510 299.6450 -179.2032 -151.6255 761281.1330 5.7131 5.6461 PRESSURE: 3936200 188.719 -27.7406 -273.88 -27.7404 3.50884 60.1048 -273.88 60.1043 345.853 GPRESSURE: 3936200 226.837 -51.3232 -184.755 -74.4821 36.1239 6.04692 -190.89 3.25485 355.516 PRESSAVG: 3936200 71.0596 -52.1211 -23.5416 -52.1211 -32.9088 42.3076 -23.5415 42.3076 11.4824 GPRESSAVG: 3936200 69.8627 -49.8481 -23.5161 -55.1771 -31.496 42.0488 -24.005 39.8085 11.8708 TIMING: 3936200 CPU: 12501.7, 0.0031552/step Wall: 12501.7, 0.0031552/step, 0.932362 hours remaining, 240.406250 MB of memory in use. ENERGY: 3936200 4038.4374 20565.9895 14526.7832 234.2818 -203604.9089 3022.8639 0.0000 0.0000 52139.1362 -109077.4169 299.6443 -161216.5530 -108709.3427 300.0226 179.3603 206.1590 759613.7588 16.5444 16.7458 LDB: ============= START OF LOAD BALANCING ============== 12514.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12514.1 LDB: =============== DONE WITH MIGRATION ================ 12514.1 LDB: ============= START OF LOAD BALANCING ============== 12514.4 LDB: Largest compute 7024 load 0.034044 is 17.4% of average load 0.195479 LDB: Average compute 0.004370 is 2.2% of average load 0.195479 LDB: TIME 12514.4 LOAD: AVG 0.195479 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 12514.4 LOAD: AVG 0.195479 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: TIME 12514.4 LOAD: AVG 0.195479 MAX 0.21445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.445 MB LDB: ============== END OF LOAD BALANCING =============== 12514.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12514.4 PRESSURE: 3936400 362.36 -8.51526 54.8546 -8.51458 95.3894 -101.478 54.8543 -101.478 130.322 GPRESSURE: 3936400 403.048 21.3802 145.923 -34.5286 156.403 -100.13 22.1465 -119.609 98.3219 PRESSAVG: 3936400 62.353 14.1751 -35.2937 14.1751 -35.5527 -21.6397 -35.2938 -21.6398 -22.2801 GPRESSAVG: 3936400 63.0174 12.6331 -35.7452 15.2584 -36.1483 -21.8776 -36.2378 -19.5608 -22.3158 TIMING: 3936400 CPU: 12502.3, 0.00323322/step Wall: 12502.3, 0.00323322/step, 0.955236 hours remaining, 241.378906 MB of memory in use. ENERGY: 3936400 4032.6157 20745.3322 14454.2694 232.9957 -203293.2617 2714.6609 0.0000 0.0000 52257.9668 -108855.4211 300.3273 -161113.3879 -108503.2732 300.8263 196.0239 219.2578 760518.1975 1.5067 1.5178 PRESSURE: 3936600 -215.928 -44.0043 12.3269 -44.0046 -96.0509 -24.6359 12.3262 -24.6348 -74.8248 GPRESSURE: 3936600 -221.317 -83.2481 -33.8661 -90.1709 -33.5835 33.6518 47.9867 16.6353 -46.1251 PRESSAVG: 3936600 19.9777 -7.52057 -1.78773 -7.52046 -36.198 -26.9635 -1.78771 -26.9635 -9.45992 GPRESSAVG: 3936600 19.6471 -6.63605 -1.50459 -6.68094 -35.6064 -25.2647 -1.78917 -27.7752 -9.44861 TIMING: 3936600 CPU: 12502.9, 0.00314346/step Wall: 12502.9, 0.00314346/step, 0.928544 hours remaining, 241.582031 MB of memory in use. ENERGY: 3936600 4004.0127 20620.7311 14414.4796 244.3891 -202826.4378 2312.7885 0.0000 0.0000 52419.5115 -108810.5255 301.2557 -161230.0370 -108446.9756 300.8610 -128.9347 -100.3418 762054.1654 -8.5601 -8.4693 PRESSURE: 3936800 110.334 -158.676 -100.33 -158.676 165.204 53.1778 -100.329 53.1781 77.076 GPRESSURE: 3936800 30.9273 -121.373 -45.3061 -263.909 262.23 73.4077 -66.0845 -83.58 140.992 PRESSAVG: 3936800 56.9949 -89.7745 -7.95847 -89.7745 -24.0076 24.2867 -7.95845 24.2867 8.98062 GPRESSAVG: 3936800 57.3209 -89.908 -7.02408 -90.7649 -24.8313 21.954 -7.45087 24.4661 9.85732 TIMING: 3936800 CPU: 12503.6, 0.00317304/step Wall: 12503.6, 0.00317303/step, 0.937103 hours remaining, 241.582031 MB of memory in use. ENERGY: 3936800 3961.8173 20479.7147 14524.0043 258.1767 -203068.0270 2671.5681 0.0000 0.0000 52385.0057 -108787.7401 301.0573 -161172.7458 -108421.5040 300.7469 117.5381 144.7166 762443.1354 13.9893 14.1156 PRESSURE: 3937000 -225.611 138.518 -55.6659 138.518 3.64061 35.5271 -55.6662 35.5271 -256.713 GPRESSURE: 3937000 -179.734 154.66 -129.196 96.8674 60.8911 29.0116 -93.9213 132.65 -262.815 PRESSAVG: 3937000 -30.3705 -62.5142 1.52862 -62.5143 45.6611 -9.62279 1.52862 -9.62281 9.5778 GPRESSAVG: 3937000 -30.7587 -59.852 0.21727 -64.6126 46.5679 -9.60639 2.63921 -8.1208 8.63476 TIMING: 3937000 CPU: 12504.2, 0.00317078/step Wall: 12504.2, 0.00317078/step, 0.93626 hours remaining, 241.582031 MB of memory in use. ENERGY: 3937000 3997.3173 20583.1062 14461.2435 252.9399 -202731.8097 2506.6062 0.0000 0.0000 52104.9910 -108825.6057 299.4481 -160930.5967 -108466.2271 300.6981 -159.5613 -127.2193 762900.3869 8.2895 8.1480 PRESSURE: 3937200 14.1063 -28.163 10.2444 -28.1624 -411.172 47.1874 10.2439 47.1876 -262.655 GPRESSURE: 3937200 11.5989 -44.4929 -26.7197 -24.7677 -321.955 46.7569 -154.177 40.8348 -259.254 PRESSAVG: 3937200 11.2846 -3.61785 33.1729 -3.61796 -22.2837 -10.3761 33.1729 -10.3761 19.4893 GPRESSAVG: 3937200 9.95024 -5.9682 33.3061 -1.0848 -21.8594 -10.556 32.6436 -11.2265 20.5686 TIMING: 3937200 CPU: 12504.8, 0.00315467/step Wall: 12504.8, 0.00315467/step, 0.931328 hours remaining, 241.582031 MB of memory in use. ENERGY: 3937200 3969.4288 20563.3185 14435.1586 242.2084 -202886.8918 2491.3439 0.0000 0.0000 52456.8160 -108728.6176 301.4700 -161185.4336 -108366.7937 300.7513 -219.9069 -189.8700 762328.8771 2.8301 2.8865 PRESSURE: 3937400 372.332 44.8619 -122.938 44.8623 -89.442 -223.066 -122.938 -223.066 228.739 GPRESSURE: 3937400 409.037 108.739 -116.588 -89.9575 -22.8979 -188.221 -208.035 -128.395 208.059 PRESSAVG: 3937400 -13.391 -34.3298 -45.3944 -34.3298 -19.5904 -69.5418 -45.3944 -69.5418 -19.0973 GPRESSAVG: 3937400 -11.8087 -35.3896 -46.1714 -33.7836 -20.272 -68.4881 -45.7496 -70.318 -20.1459 TIMING: 3937400 CPU: 12505.5, 0.00312284/step Wall: 12505.5, 0.00312284/step, 0.921758 hours remaining, 241.582031 MB of memory in use. ENERGY: 3937400 4015.9571 20776.4401 14485.2821 251.1171 -203088.2426 2607.6011 0.0000 0.0000 52373.6193 -108578.2258 300.9919 -160951.8452 -108220.2601 300.5746 170.5431 198.0660 760969.4426 -17.3596 -17.4089 PRESSURE: 3937600 289.296 -383.087 -72.1694 -383.086 -57.1768 6.72933 -72.1698 6.72882 -217.302 GPRESSURE: 3937600 344.743 -417.927 -142.091 -381.561 -28.4915 -107.418 -9.18738 99.7042 -216.197 PRESSAVG: 3937600 55.1284 -60.075 -50.4083 -60.075 -53.4863 2.78522 -50.4084 2.78524 14.1331 GPRESSAVG: 3937600 53.475 -58.804 -48.9783 -62.491 -53.2707 2.06477 -48.1797 4.13948 15.853 TIMING: 3937600 CPU: 12506.1, 0.00316771/step Wall: 12506.1, 0.00316771/step, 0.934825 hours remaining, 241.582031 MB of memory in use. ENERGY: 3937600 3999.6311 20763.8976 14436.3649 262.4452 -202977.1914 2480.8065 0.0000 0.0000 52349.4695 -108684.5766 300.8531 -161034.0461 -108325.8104 301.5077 4.9388 33.3516 762517.8000 5.2584 5.3524 PRESSURE: 3937800 -179.946 -30.178 272.666 -30.1774 -256.603 -153.625 272.666 -153.625 71.6605 GPRESSURE: 3937800 -118.555 53.6078 280.625 16.7841 -221.715 -159.689 188.237 -221.402 63.5739 PRESSAVG: 3937800 51.6239 -40.9425 16.4857 -40.9425 -60.632 -54.8704 16.4857 -54.8704 3.9196 GPRESSAVG: 3937800 52.6922 -38.723 17.7408 -37.8437 -61.2076 -53.286 13.6139 -57.1089 2.90216 TIMING: 3937800 CPU: 12506.7, 0.0031565/step Wall: 12506.7, 0.0031565/step, 0.931343 hours remaining, 241.582031 MB of memory in use. ENERGY: 3937800 4017.1661 20514.5195 14404.5320 251.1132 -202561.3131 2244.6307 0.0000 0.0000 52275.3177 -108854.0338 300.4270 -161129.3515 -108482.2728 300.2856 -121.6295 -92.2320 762972.9604 -1.6961 -1.8711 PRESSURE: 3938000 -185.547 -116.197 99.042 -116.197 -187.434 -188.825 99.0422 -188.824 -132.278 GPRESSURE: 3938000 -237.867 -87.296 94.6129 -62.4994 -89.4498 -109.465 -14.8031 -268.164 -99.2502 PRESSAVG: 3938000 64.9041 -9.59634 -43.9072 -9.59629 -10.8669 -48.2975 -43.9072 -48.2975 5.20065 GPRESSAVG: 3938000 63.4833 -11.5012 -45.4482 -11.5139 -9.25384 -47.4641 -43.8327 -46.4281 4.74002 TIMING: 3938000 CPU: 12507.4, 0.00315944/step Wall: 12507.4, 0.00315944/step, 0.932035 hours remaining, 241.582031 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: 3938000 4069.7892 20483.1327 14480.8461 244.5254 -203049.7898 2465.8438 0.0000 0.0000 52369.9877 -108935.6649 300.9710 -161305.6526 -108569.4126 300.5467 -168.4196 -142.1891 762165.8864 19.7459 19.6565 PRESSURE: 3938200 153.413 107.944 -289.437 107.945 102.121 -127.986 -289.436 -127.985 -193.249 GPRESSURE: 3938200 217.14 92.8664 -194.415 93.5615 -18.0335 -88.9015 -226.294 -108.224 -56.3435 PRESSAVG: 3938200 18.0413 -47.1614 3.52429 -47.1614 -0.791262 -3.972 3.5242 -3.97188 -16.7442 GPRESSAVG: 3938200 19.3282 -46.4629 5.43184 -45.6568 -2.59948 -5.66007 2.61973 -5.06144 -16.2194 TIMING: 3938200 CPU: 12508, 0.00315692/step Wall: 12508, 0.00315692/step, 0.931116 hours remaining, 241.582031 MB of memory in use. ENERGY: 3938200 3958.1352 20577.4594 14421.9925 245.6440 -202933.8585 2374.1140 0.0000 0.0000 52252.2649 -109104.2485 300.2945 -161356.5134 -108738.7032 300.0546 20.7617 47.5878 762168.7624 0.1686 0.1698 PRESSURE: 3938400 39.9814 36.5861 163.249 36.5861 -83.0967 -109.521 163.25 -109.521 180.714 GPRESSURE: 3938400 124.135 -7.86619 185.803 -41.2086 -83.5597 -99.2268 -59.6491 35.5688 169.855 PRESSAVG: 3938400 86.4103 -6.26743 43.6787 -6.26753 -59.4878 -6.10504 43.6787 -6.10501 3.50482 GPRESSAVG: 3938400 86.9092 -4.75265 41.9509 -7.61904 -59.3055 -5.99013 45.6019 -5.81555 2.54411 TIMING: 3938400 CPU: 12508.6, 0.0031475/step Wall: 12508.6, 0.0031475/step, 0.928162 hours remaining, 241.582031 MB of memory in use. ENERGY: 3938400 3935.8314 20569.4021 14418.2291 247.9600 -203106.1116 2343.4636 0.0000 0.0000 52344.7383 -109246.4872 300.8259 -161591.2255 -108884.9495 300.1016 45.8663 70.1433 760989.9636 10.1424 10.0493 PRESSURE: 3938600 -10.1322 -5.33769 -138.425 -5.33848 -293.44 -60.9533 -138.425 -60.9536 -401.296 GPRESSURE: 3938600 70.7381 92.8611 -128.339 29.6606 -283.712 -37.9541 -87.9813 -11.8071 -429.329 PRESSAVG: 3938600 68.1955 -30.5449 -47.7757 -30.5449 -48.7106 -14.8229 -47.7756 -14.8229 -9.25867 GPRESSAVG: 3938600 68.2025 -32.4478 -46.4034 -30.7199 -49.2685 -12.7508 -48.0524 -15.2754 -8.68193 TIMING: 3938600 CPU: 12509.3, 0.00316784/step Wall: 12509.3, 0.00316784/step, 0.933986 hours remaining, 241.582031 MB of memory in use. ENERGY: 3938600 3981.6961 20609.4343 14370.5616 249.7893 -203007.9771 2443.8179 0.0000 0.0000 52159.6552 -109193.0228 299.7623 -161352.6780 -108831.5647 299.8478 -234.9560 -214.1010 761584.9998 3.4087 3.4173 PRESSURE: 3938800 -142.194 12.2895 -66.1897 12.2889 -353.145 18.818 -66.1896 18.8163 -450.55 GPRESSURE: 3938800 -289.593 -10.3979 -55.7799 -98.3982 -201.951 107.64 -10.706 -117.341 -383.741 PRESSAVG: 3938800 40.5 -10.4546 -9.00354 -10.4546 -50.3716 -18.5002 -9.00352 -18.5002 3.22726 GPRESSAVG: 3938800 39.1489 -11.2552 -9.72921 -10.7503 -49.8279 -19.9438 -8.1358 -17.656 3.51721 TIMING: 3938800 CPU: 12509.9, 0.00314538/step Wall: 12509.9, 0.00314538/step, 0.927189 hours remaining, 241.582031 MB of memory in use. ENERGY: 3938800 3964.9816 20557.2642 14460.9658 250.3616 -203063.0910 2339.5878 0.0000 0.0000 52151.1977 -109338.7323 299.7136 -161489.9300 -108978.7952 299.8055 -315.2964 -291.7615 763637.0574 -2.2148 -2.3873 PRESSURE: 3939000 456.328 -200.033 181.626 -200.032 -126.298 110.305 181.625 110.304 294.757 GPRESSURE: 3939000 462.75 -207.266 191.668 20.4472 -6.27826 184.518 26.1476 -63.5405 255.816 PRESSAVG: 3939000 38.552 -13.4612 -1.0321 -13.4612 -111.676 -3.06895 -1.03211 -3.06899 5.7311 GPRESSAVG: 3939000 39.9886 -11.7124 -1.23727 -12.173 -112.877 -1.5791 -2.49496 -4.15901 5.24864 TIMING: 3939000 CPU: 12510.5, 0.00315439/step Wall: 12510.5, 0.00315439/step, 0.929669 hours remaining, 241.582031 MB of memory in use. ENERGY: 3939000 4052.9960 20536.4392 14447.5671 251.6760 -203428.1849 2851.6301 0.0000 0.0000 51984.1606 -109303.7158 298.7537 -161287.8764 -108948.8716 299.8419 208.2623 237.4293 761225.2006 -22.4644 -22.5464 PRESSURE: 3939200 132.989 185.739 -424.778 185.739 233.304 -48.7995 -424.778 -48.799 515.849 GPRESSURE: 3939200 216.49 61.0049 -468.8 152.062 317.521 -45.5483 -352.829 -28.7861 434.167 PRESSAVG: 3939200 29.8652 -12.9175 -31.8208 -12.9175 -9.96871 -2.11658 -31.8209 -2.11659 8.39086 GPRESSAVG: 3939200 29.9005 -14.6546 -32.1668 -13.5302 -9.82923 -2.24365 -31.5383 -2.92613 8.13482 TIMING: 3939200 CPU: 12511.1, 0.00314512/step Wall: 12511.1, 0.00314512/step, 0.926762 hours remaining, 241.582031 MB of memory in use. ENERGY: 3939200 3985.1242 20449.0262 14508.2260 240.3628 -203203.2421 2651.1641 0.0000 0.0000 52105.7286 -109263.6102 299.4523 -161369.3388 -108906.0181 300.1014 294.0474 322.7261 759650.4753 9.4291 9.4020 PRESSURE: 3939400 190.049 98.2966 117.677 98.2963 -112.918 -26.7364 117.676 -26.7363 120.025 GPRESSURE: 3939400 168.821 99.3484 124.074 148.925 -46.9056 29.4064 129.688 -35.2127 166.81 PRESSAVG: 3939400 54.3972 58.3015 -11.2079 58.3015 -73.2291 16.0867 -11.2079 16.0867 26.4832 GPRESSAVG: 3939400 53.1216 57.3492 -10.4154 58.6811 -72.6752 15.1753 -11.6887 15.9201 27.1303 TIMING: 3939400 CPU: 12511.8, 0.00314735/step Wall: 12511.8, 0.00314735/step, 0.927245 hours remaining, 241.582031 MB of memory in use. ENERGY: 3939400 3965.6029 20507.2501 14413.1427 251.2360 -203310.1683 2598.4080 0.0000 0.0000 52213.1432 -109361.3854 300.0697 -161574.5286 -108998.3415 299.6718 65.7187 96.2416 761131.8614 2.5504 2.5256 PRESSURE: 3939600 287.878 89.2753 -12.9486 89.2753 -515.103 84.1222 -12.9486 84.123 156.685 GPRESSURE: 3939600 145.229 70.1872 20.3208 121.793 -301.303 158.704 23.4959 -112.846 153.993 PRESSAVG: 3939600 51.2698 -0.28793 -21.0156 -0.287966 -34.9328 11.009 -21.0156 11.0091 4.97422 GPRESSAVG: 3939600 51.044 0.0907793 -21.1796 -0.534877 -34.8495 9.59254 -21.3035 9.79996 4.8533 TIMING: 3939600 CPU: 12512.4, 0.00316859/step Wall: 12512.4, 0.00316859/step, 0.933326 hours remaining, 241.582031 MB of memory in use. ENERGY: 3939600 3947.6266 20609.3093 14374.2089 257.8862 -203439.0564 2718.8367 0.0000 0.0000 52151.1476 -109380.0411 299.7134 -161531.1887 -109023.6242 299.5989 -23.5136 -0.6937 761518.4993 7.1037 7.0159 PRESSURE: 3939800 88.1941 17.0099 -246.643 17.0098 -166.334 -161.684 -246.642 -161.683 -66.3257 GPRESSURE: 3939800 179.913 78.6618 -346.787 93.8614 -136.442 -194.653 -82.0577 42.6775 -107.132 PRESSAVG: 3939800 45.2425 59.962 -34.2121 59.962 -62.1967 -16.6303 -34.2121 -16.6303 8.30197 GPRESSAVG: 3939800 46.3084 60.9188 -34.2044 61.2487 -62.3859 -14.9588 -32.5588 -15.0453 7.60461 TIMING: 3939800 CPU: 12513, 0.00314373/step Wall: 12513, 0.00314374/step, 0.92583 hours remaining, 241.582031 MB of memory in use. ENERGY: 3939800 4049.9700 20447.2131 14341.6346 262.6331 -203377.8367 2479.4251 0.0000 0.0000 52384.0632 -109412.8975 301.0519 -161796.9608 -109041.3523 299.6484 -48.1551 -21.2204 760481.7345 -2.8841 -2.8243 PRESSURE: 3940000 46.3712 -171.44 -173.995 -171.439 157.251 138.852 -173.995 138.853 -184.263 GPRESSURE: 3940000 147.231 -140.758 -223.394 -198.218 148.731 62.4973 -259.765 77.0064 -196.282 PRESSAVG: 3940000 6.67574 33.2706 -38.9573 33.2706 -13.5943 -40.0974 -38.9573 -40.0974 1.64631 GPRESSAVG: 3940000 5.6724 33.1306 -38.3763 29.9608 -13.798 -40.3299 -40.8331 -37.3629 2.87062 TIMING: 3940000 CPU: 12513.7, 0.00313511/step Wall: 12513.7, 0.00313511/step, 0.923117 hours remaining, 241.582031 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: 3940000 3994.8986 20663.4183 14395.2757 252.1551 -203149.4307 2539.1679 0.0000 0.0000 52079.4197 -109225.0953 299.3011 -161304.5150 -108860.2941 299.6594 6.4531 33.2264 760557.6562 -1.7574 -1.7516 PRESSURE: 3940200 24.276 102.265 -52.4577 102.265 114.769 -169.977 -52.4574 -169.976 148.992 GPRESSURE: 3940200 27.0308 36.8852 -33.1474 112.765 148.107 -250.61 -53.985 -76.5567 162.536 PRESSAVG: 3940200 26.7037 -6.29014 -12.4286 -6.29017 22.395 -5.64708 -12.4287 -5.6471 12.0211 GPRESSAVG: 3940200 28.2003 -6.39746 -13.6421 -4.51275 22.4623 -5.93585 -12.2531 -9.74511 10.5537 TIMING: 3940200 CPU: 12514.3, 0.00314878/step Wall: 12514.3, 0.00314878/step, 0.926967 hours remaining, 241.582031 MB of memory in use. ENERGY: 3940200 4031.5880 20700.7054 14429.4424 274.2630 -203123.4542 2415.8682 0.0000 0.0000 52049.4906 -109222.0965 299.1291 -161271.5871 -108853.2702 300.4104 96.0124 112.5580 760164.5620 20.3733 20.4054 LDB: ============= START OF LOAD BALANCING ============== 12526.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12526.7 LDB: =============== DONE WITH MIGRATION ================ 12526.7 LDB: ============= START OF LOAD BALANCING ============== 12527.1 LDB: Largest compute 7064 load 0.033960 is 17.4% of average load 0.195408 LDB: Average compute 0.004361 is 2.2% of average load 0.195408 LDB: TIME 12527.1 LOAD: AVG 0.195408 MAX 0.215016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 12527.1 LOAD: AVG 0.195408 MAX 0.215016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 12527.1 LOAD: AVG 0.195408 MAX 0.215016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 12527.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12527.1 PRESSURE: 3940400 197.328 -147.257 -21.6941 -147.257 112.17 -48.2576 -21.6946 -48.2575 290.826 GPRESSURE: 3940400 274.152 -193.05 33.1429 -123.921 148.748 49.3551 54.4638 -71.4205 247.999 PRESSAVG: 3940400 89.919 12.3862 -39.2529 12.3862 -58.1863 -67.72 -39.2529 -67.7201 13.7554 GPRESSAVG: 3940400 88.6065 12.5991 -38.462 13.2225 -57.602 -65.7939 -40.3041 -64.392 14.307 TIMING: 3940400 CPU: 12514.9, 0.0032445/step Wall: 12514.9, 0.0032445/step, 0.954963 hours remaining, 240.605469 MB of memory in use. ENERGY: 3940400 4009.2393 20587.1177 14391.7886 230.5572 -202893.7053 2494.1278 0.0000 0.0000 51943.2761 -109237.5986 298.5187 -161180.8747 -108871.0837 300.2909 200.1082 223.6328 760665.1378 15.1627 15.1038 PRESSURE: 3940600 -106.769 95.9692 -128.455 95.9679 221.707 20.507 -128.455 20.5063 -442.009 GPRESSURE: 3940600 19.4802 171.825 -114.373 44.418 194.972 39.3598 -134.993 47.4223 -441.385 PRESSAVG: 3940600 12.7263 -13.1709 -41.8727 -13.1709 -21.9123 15.682 -41.8727 15.6821 5.76248 GPRESSAVG: 3940600 13.1144 -13.5293 -41.8746 -13.1575 -22.8708 14.567 -41.0696 14.0058 5.96439 TIMING: 3940600 CPU: 12515.6, 0.00316448/step Wall: 12515.6, 0.00316448/step, 0.931235 hours remaining, 240.605469 MB of memory in use. ENERGY: 3940600 3999.1395 20503.6971 14466.8919 247.3671 -203008.3640 2416.0097 0.0000 0.0000 52114.6975 -109260.5612 299.5039 -161375.2587 -108893.0141 299.7075 -109.0238 -75.6443 759335.5949 -1.1412 -1.2640 PRESSURE: 3940800 -1.88137 -124.601 -221.149 -124.6 -47.712 -118.437 -221.15 -118.438 247.548 GPRESSURE: 3940800 47.0779 -111.279 -235.044 -199.704 25.8053 -226.509 -242.445 -80.8077 216.135 PRESSAVG: 3940800 12.5589 5.62684 -62.0681 5.62685 -8.18482 39.6274 -62.068 39.6273 -7.16417 GPRESSAVG: 3940800 12.3346 5.14896 -63.628 5.86979 -7.86021 38.3564 -60.3853 39.7306 -7.38727 TIMING: 3940800 CPU: 12516.2, 0.00316693/step Wall: 12516.2, 0.00316694/step, 0.931783 hours remaining, 240.605469 MB of memory in use. ENERGY: 3940800 3968.1530 20522.5287 14431.2715 242.0854 -203389.6614 2785.0800 0.0000 0.0000 52131.6828 -109308.8599 299.6015 -161440.5427 -108942.9139 299.3393 65.9848 96.3394 760376.3959 -0.9300 -0.9710 PRESSURE: 3941000 91.6344 167.132 -167.699 167.133 -275.81 -150.676 -167.699 -150.675 -242.8 GPRESSURE: 3941000 101.904 44.0643 -120.29 153.484 -281.715 -170.534 -209.268 -183.834 -164.212 PRESSAVG: 3941000 39.625 -1.47572 -38.1565 -1.4757 -25.204 -16.5686 -38.1565 -16.5685 -11.7549 GPRESSAVG: 3941000 39.6801 -0.684884 -37.2781 -3.47653 -25.6602 -15.909 -39.1793 -15.3682 -11.4128 TIMING: 3941000 CPU: 12516.8, 0.00316964/step Wall: 12516.8, 0.00316964/step, 0.932403 hours remaining, 240.605469 MB of memory in use. ENERGY: 3941000 3995.3924 20655.1606 14397.5361 256.9893 -203308.4039 2483.3426 0.0000 0.0000 52128.0368 -109391.9461 299.5805 -161519.9829 -109029.9600 299.4961 -142.3250 -114.6740 760610.6068 0.8887 0.8690 PRESSURE: 3941200 24.2323 116.168 22.5867 116.168 385.233 32.2158 22.5866 32.216 178.304 GPRESSURE: 3941200 149.662 161.69 55.2694 17.9184 318.683 -16.1327 39.7827 11.8947 204.688 PRESSAVG: 3941200 65.8548 109.281 -5.54183 109.281 -27.1399 24.5824 -5.54185 24.5824 -12.3836 GPRESSAVG: 3941200 65.3046 106.166 -5.41917 110.767 -26.7319 23.4899 -5.88959 22.2068 -12.7297 TIMING: 3941200 CPU: 12517.5, 0.00317101/step Wall: 12517.5, 0.00317101/step, 0.932628 hours remaining, 240.605469 MB of memory in use. ENERGY: 3941200 4013.5560 20546.2638 14463.2028 253.5119 -203241.3379 2713.7992 0.0000 0.0000 51873.1951 -109377.8090 298.1160 -161251.0041 -109023.4281 299.4070 195.9230 224.3444 761110.6816 8.7771 8.6143 PRESSURE: 3941400 87.496 39.3894 84.6882 39.3899 115.864 -326.552 84.6877 -326.551 115.28 GPRESSURE: 3941400 128.128 12.1199 36.2657 131.328 91.4011 -246.379 128.294 -232.531 173.527 PRESSAVG: 3941400 6.4815 18.6665 -10.4836 18.6666 -37.6383 -46.2608 -10.4836 -46.2609 22.0221 GPRESSAVG: 3941400 7.5255 20.4304 -10.5498 18.6931 -37.4823 -43.6169 -10.3733 -45.3795 21.0069 TIMING: 3941400 CPU: 12518.1, 0.00317964/step Wall: 12518.1, 0.00317964/step, 0.93499 hours remaining, 240.605469 MB of memory in use. ENERGY: 3941400 3978.8401 20520.2360 14409.7646 237.9798 -203593.8633 2945.1559 0.0000 0.0000 52221.4947 -109280.3922 300.1176 -161501.8870 -108923.0602 299.3664 106.2134 131.0187 761475.5517 -3.0449 -2.9833 PRESSURE: 3941600 -0.857657 -259.846 -12.9307 -259.847 -64.4101 -43.8781 -12.9307 -43.8782 -165.667 GPRESSURE: 3941600 92.0519 -318.035 59.6236 -115.647 -101.439 -77.2828 -127.533 -196.804 -143.147 PRESSAVG: 3941600 56.791 47.6882 -17.9191 47.6881 -45.4891 -76.9755 -17.919 -76.9755 8.09725 GPRESSAVG: 3941600 55.1148 49.1033 -15.8165 47.6995 -45.2731 -80.9381 -19.3556 -76.9155 9.62001 TIMING: 3941600 CPU: 12518.7, 0.00317654/step Wall: 12518.7, 0.00317654/step, 0.933903 hours remaining, 240.605469 MB of memory in use. ENERGY: 3941600 3973.5638 20498.0213 14406.9587 261.9547 -203318.3392 2623.0159 0.0000 0.0000 52084.9211 -109469.9037 299.3328 -161554.8248 -109104.5301 299.8842 -76.9781 -50.8447 761437.1105 6.4664 6.4872 PRESSURE: 3941800 16.4091 -144.127 -232.929 -144.126 94.8259 120.505 -232.928 120.505 -60.4407 GPRESSURE: 3941800 -37.3519 -156.435 -255.326 -51.0354 138.135 100.25 -154.943 192.708 22.9848 PRESSAVG: 3941800 75.3231 5.23747 -65.2296 5.23743 -61.8839 -23.1054 -65.2296 -23.1053 -4.22307 GPRESSAVG: 3941800 75.4504 2.82343 -65.7588 5.66638 -61.7524 -21.4025 -63.1489 -22.4181 -4.27822 TIMING: 3941800 CPU: 12519.4, 0.00314535/step Wall: 12519.4, 0.00314535/step, 0.924559 hours remaining, 240.605469 MB of memory in use. ENERGY: 3941800 4003.8556 20516.9494 14464.7391 253.6902 -203424.9220 2746.2322 0.0000 0.0000 51999.2411 -109440.2144 298.8404 -161439.4555 -109089.9874 299.2314 16.9314 41.2559 761534.6770 3.0721 3.1399 PRESSURE: 3942000 -120.92 11.1124 277.506 11.1116 -19.1324 73.8985 277.507 73.8988 5.15619 GPRESSURE: 3942000 -139.028 35.9961 267.894 5.04895 63.2789 93.6703 112.569 13.7369 33.2587 PRESSAVG: 3942000 -10.6272 -14.2163 -11.4208 -14.2162 21.0876 -13.8989 -11.4208 -13.8987 -23.4102 GPRESSAVG: 3942000 -10.5175 -11.9344 -12.4524 -15.4219 20.3754 -15.4005 -13.3143 -13.7819 -22.8924 TIMING: 3942000 CPU: 12520, 0.00314159/step Wall: 12520, 0.00314159/step, 0.923278 hours remaining, 240.605469 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: 3942000 4018.0353 20477.1701 14428.2596 238.1166 -203538.4016 2731.2646 0.0000 0.0000 52120.7972 -109524.7582 299.5389 -161645.5554 -109158.2371 298.8916 -44.9654 -14.1635 761146.1376 -4.3166 -4.3449 PRESSURE: 3942200 83.0719 -108.628 -120.606 -108.628 226.79 158.47 -120.606 158.469 -181.082 GPRESSURE: 3942200 88.8156 -162.987 -84.9912 -146.764 200.629 179.89 -23.315 45.7838 -61.6087 PRESSAVG: 3942200 48.3121 2.03622 -72.5405 2.03629 -15.5829 -0.833341 -72.5404 -0.833269 7.23862 GPRESSAVG: 3942200 47.7321 -0.590884 -73.5366 1.98443 -14.9461 1.19558 -70.5531 -0.246882 6.85933 TIMING: 3942200 CPU: 12520.6, 0.00315615/step Wall: 12520.6, 0.00315615/step, 0.927383 hours remaining, 240.605469 MB of memory in use. ENERGY: 3942200 4099.2178 20440.4109 14484.1768 238.8206 -203520.1911 2565.1703 0.0000 0.0000 51980.7332 -109711.6615 298.7340 -161692.3946 -109340.0782 299.1976 42.9267 75.9453 759363.9078 13.3226 13.2151 PRESSURE: 3942400 -116.785 82.7586 -84.6376 82.7582 -261.444 297.026 -84.6368 297.026 127.714 GPRESSURE: 3942400 22.6976 133.843 -23.9963 161.208 -237.287 287.887 -16.8292 204.189 69.7434 PRESSAVG: 3942400 46.9726 1.78088 -56.5431 1.78088 -23.3405 -11.3212 -56.5431 -11.3213 23.2892 GPRESSAVG: 3942400 47.5945 7.99942 -57.1173 -2.4794 -23.485 -11.8777 -56.0939 -11.6736 22.5989 TIMING: 3942400 CPU: 12521.3, 0.00315386/step Wall: 12521.3, 0.00315386/step, 0.926533 hours remaining, 240.605469 MB of memory in use. ENERGY: 3942400 3974.2554 20419.8783 14484.2508 234.9978 -203084.4013 2229.9162 0.0000 0.0000 52048.4240 -109692.6787 299.1230 -161741.1028 -109327.7308 299.2264 -83.5050 -48.2822 759301.5896 15.6404 15.5695 PRESSURE: 3942600 -80.1659 117.934 66.4544 117.933 -204.638 20.1265 66.4539 20.1271 -319.486 GPRESSURE: 3942600 -125.852 137.273 95.3239 149.781 -140.603 -19.8113 112.588 120.365 -247.637 PRESSAVG: 3942600 -14.8655 33.0677 -80.8389 33.0677 12.3006 34.3211 -80.8389 34.3211 4.67495 GPRESSAVG: 3942600 -14.8759 27.7811 -80.3489 37.2665 12.0742 35.5962 -81.3358 33.1405 5.28357 TIMING: 3942600 CPU: 12521.9, 0.00311852/step Wall: 12521.9, 0.00311852/step, 0.91598 hours remaining, 240.605469 MB of memory in use. ENERGY: 3942600 3939.8898 20391.1091 14487.7582 248.8490 -203238.9085 2400.2049 0.0000 0.0000 52005.5616 -109765.5358 298.8767 -161771.0975 -109416.9946 298.9367 -201.4298 -171.3643 761661.9724 0.7034 0.8273 PRESSURE: 3942800 -256.456 71.3756 98.457 71.3749 103.881 104.912 98.4566 104.913 262.814 GPRESSURE: 3942800 -264.074 6.91189 82.0307 164.641 118.267 132.858 229.7 79.8054 321.21 PRESSAVG: 3942800 -21.4476 33.2005 14.3308 33.2004 -38.5362 39.1233 14.3308 39.1233 12.9985 GPRESSAVG: 3942800 -21.8594 31.9667 14.8043 34.5027 -37.7884 37.6572 15.1693 40.4665 12.16 TIMING: 3942800 CPU: 12522.5, 0.00314561/step Wall: 12522.5, 0.00314561/step, 0.92376 hours remaining, 240.605469 MB of memory in use. ENERGY: 3942800 3943.0610 20521.1724 14339.3663 229.9549 -203442.4558 2636.4575 0.0000 0.0000 52049.7075 -109722.7362 299.1304 -161772.4437 -109369.9361 298.7170 36.7463 58.4677 762725.9843 -15.6618 -15.8293 PRESSURE: 3943000 -62.0239 -232.273 292.189 -232.272 -296.374 -117.637 292.189 -117.637 -207.182 GPRESSURE: 3943000 -15.2667 -221.636 337.443 -107.508 -248.215 -176.817 248.291 -92.8341 -229.053 PRESSAVG: 3943000 42.603 -18.4391 -10.9828 -18.439 7.85433 -39.9814 -10.9828 -39.9814 -21.3713 GPRESSAVG: 3943000 44.3815 -15.6389 -10.7564 -19.8934 6.60772 -40.0584 -11.8289 -42.3961 -21.5891 TIMING: 3943000 CPU: 12523.1, 0.00313419/step Wall: 12523.1, 0.00313419/step, 0.920232 hours remaining, 240.605469 MB of memory in use. ENERGY: 3943000 3919.9060 20424.2700 14471.6975 266.7468 -203679.9012 2776.8229 0.0000 0.0000 52257.4164 -109563.0414 300.3241 -161820.4579 -109213.8164 299.2524 -188.5267 -164.1781 763204.6681 9.6954 9.8000 PRESSURE: 3943200 -77.0392 106.846 -185.964 106.846 -175.619 -105.828 -185.965 -105.827 -113.483 GPRESSURE: 3943200 -40.9088 21.7463 -184.567 125.084 -125.217 -157.788 -53.4224 10.4165 -120.99 PRESSAVG: 3943200 1.65179 30.9179 -51.4744 30.9179 -14.7893 -55.2901 -51.4744 -55.29 9.57709 GPRESSAVG: 3943200 0.0656693 29.3038 -51.7347 30.5743 -13.2832 -54.1469 -52.6452 -54.4366 9.86157 TIMING: 3943200 CPU: 12523.8, 0.00313115/step Wall: 12523.8, 0.00313115/step, 0.919166 hours remaining, 240.605469 MB of memory in use. ENERGY: 3943200 3945.5695 20443.3039 14453.7093 233.9291 -203111.8540 2446.1448 0.0000 0.0000 51894.2896 -109694.9078 298.2372 -161589.1975 -109325.7190 298.6620 -122.0471 -95.7054 763451.5027 -1.1868 -1.1187 PRESSURE: 3943400 237.578 -0.563291 -29.6589 -0.562569 -83.0148 145.584 -29.6586 145.583 -99.9893 GPRESSURE: 3943400 223.008 10.942 -11.261 -34.9729 2.00833 192.613 -75.8113 57.8717 -70.781 PRESSAVG: 3943400 4.43018 -24.205 -27.595 -24.2051 -35.8045 7.22117 -27.595 7.22113 -2.39299 GPRESSAVG: 3943400 4.536 -25.1711 -28.9479 -22.804 -35.3214 7.64097 -25.6328 6.42953 -3.01313 TIMING: 3943400 CPU: 12524.4, 0.00313851/step Wall: 12524.4, 0.00313851/step, 0.921152 hours remaining, 240.605469 MB of memory in use. ENERGY: 3943400 4008.5633 20485.9873 14455.9102 248.0711 -203380.5309 2633.3458 0.0000 0.0000 51962.2696 -109586.3835 298.6279 -161548.6531 -109221.2935 298.8129 18.1914 51.4117 761722.6987 -11.2558 -11.2662 PRESSURE: 3943600 26.2002 260.195 262.908 260.195 -81.6877 129.705 262.909 129.705 178.134 GPRESSURE: 3943600 54.3045 279.911 268.093 235.563 -41.8176 116.126 210.762 167.939 206.134 PRESSAVG: 3943600 -20.1811 -12.9233 26.321 -12.9232 -31.527 -1.75593 26.3211 -1.75598 -8.23073 GPRESSAVG: 3943600 -20.5029 -12.1584 26.8428 -15.9583 -32.2495 -4.24885 24.0056 0.742407 -7.47001 TIMING: 3943600 CPU: 12525, 0.00315207/step Wall: 12525, 0.00315207/step, 0.924958 hours remaining, 240.605469 MB of memory in use. ENERGY: 3943600 3896.6663 20340.8112 14440.8341 236.0732 -203372.6361 2589.9110 0.0000 0.0000 52007.6074 -109860.7329 298.8884 -161868.3403 -109508.8171 298.5715 40.8821 72.8736 762880.8297 -19.9796 -20.0741 PRESSURE: 3943800 288.63 -53.7219 -194.759 -53.7218 286.776 -286.432 -194.758 -286.432 185.253 GPRESSURE: 3943800 372.833 -72.1754 -288.954 -16.9149 283.831 -296.227 -104.086 -278.771 204.615 PRESSAVG: 3943800 26.0976 -45.4983 -8.99002 -45.4983 -9.7426 -9.45972 -8.99003 -9.45962 -2.73941 GPRESSAVG: 3943800 26.442 -44.9862 -7.46839 -43.9014 -10.2972 -9.16592 -9.14031 -9.21076 -2.80385 TIMING: 3943800 CPU: 12525.7, 0.00313773/step Wall: 12525.7, 0.00313773/step, 0.920575 hours remaining, 240.605469 MB of memory in use. ENERGY: 3943800 3899.5583 20365.5589 14429.5139 229.8417 -203837.8442 2866.4283 0.0000 0.0000 52173.6027 -109873.3403 299.8424 -162046.9431 -109500.4583 298.1868 253.5531 287.0929 761270.1531 4.5385 4.4470 PRESSURE: 3944000 -347.624 193.543 206.134 193.543 -76.022 241.814 206.134 241.814 -174.542 GPRESSURE: 3944000 -303.687 241.909 182.406 117.664 -41.8796 277.865 82.7793 215.891 -190.424 PRESSAVG: 3944000 -12.9682 -48.9136 -1.58016 -48.9136 -11.0392 -24.8839 -1.58018 -24.8839 38.1097 GPRESSAVG: 3944000 -12.3822 -47.901 -2.01065 -50.3204 -11.5845 -23.92 -1.17507 -26.8966 38.424 TIMING: 3944000 CPU: 12526.3, 0.00313311/step Wall: 12526.3, 0.00313311/step, 0.919045 hours remaining, 240.605469 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: 3944000 3947.4351 20426.2055 14424.8764 236.5080 -203206.4214 2379.5779 0.0000 0.0000 52117.8244 -109673.9940 299.5219 -161791.8185 -109316.5404 298.7048 -199.3960 -178.6636 762883.8964 4.7007 4.8191 PRESSURE: 3944200 13.2274 -98.6709 -70.2204 -98.6715 10.6923 114.18 -70.2204 114.18 -54.5993 GPRESSURE: 3944200 -24.5725 49.246 -2.64467 -163.559 90.0786 99.7732 -74.5065 140.703 -27.8089 PRESSAVG: 3944200 -65.7411 -36.8737 2.92644 -36.8738 27.2647 -10.8649 2.92645 -10.8649 -20.5738 GPRESSAVG: 3944200 -66.1821 -38.2617 3.02636 -34.8549 27.2698 -10.2486 4.45581 -9.52668 -20.4345 TIMING: 3944200 CPU: 12526.9, 0.00313618/step Wall: 12526.9, 0.00313618/step, 0.919772 hours remaining, 240.605469 MB of memory in use. ENERGY: 3944200 3952.2201 20472.2111 14320.5334 266.2311 -203445.9458 2737.0964 0.0000 0.0000 52030.2467 -109667.4070 299.0185 -161697.6536 -109307.5354 298.6683 -10.2265 12.5657 762080.2337 -19.6834 -19.7823 LDB: ============= START OF LOAD BALANCING ============== 12539.4 LDB: ============== END OF LOAD BALANCING =============== 12539.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12539.4 LDB: ============= START OF LOAD BALANCING ============== 12539.7 LDB: Largest compute 7064 load 0.033590 is 17.2% of average load 0.195385 LDB: Average compute 0.004352 is 2.2% of average load 0.195385 LDB: TIME 12539.7 LOAD: AVG 0.195385 MAX 0.214358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 12539.7 LOAD: AVG 0.195385 MAX 0.214358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: TIME 12539.7 LOAD: AVG 0.195385 MAX 0.214358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.387 MB LDB: ============== END OF LOAD BALANCING =============== 12539.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12539.7 PRESSURE: 3944400 117.908 6.40844 -84.1131 6.40912 -174.663 -103.579 -84.1126 -103.578 -31.1896 GPRESSURE: 3944400 130.498 9.85278 -79.2475 -60.6613 -111.702 -124.497 -93.1419 -107.67 -43.1494 PRESSAVG: 3944400 -41.1204 0.895094 12.7292 0.895184 47.3167 -56.4159 12.7291 -56.416 14.9095 GPRESSAVG: 3944400 -41.4283 0.351012 12.2757 -1.28235 48.3479 -56.7502 11.247 -57.2309 14.2862 TIMING: 3944400 CPU: 12527.6, 0.00320226/step Wall: 12527.6, 0.00320226/step, 0.938974 hours remaining, 239.835938 MB of memory in use. ENERGY: 3944400 4087.4847 20316.7492 14426.5836 251.2589 -203207.4946 2580.7501 0.0000 0.0000 51999.6152 -109545.0530 298.8425 -161544.6682 -109185.5116 299.0367 -29.3150 -8.1178 761772.2952 7.0352 7.0686 PRESSURE: 3944600 -246.106 -147.087 26.3853 -147.088 -94.1138 220.271 26.3856 220.27 -457.227 GPRESSURE: 3944600 -122.049 -13.9709 52.1992 -133.142 -76.6881 312.491 -57.9075 135.878 -532.388 PRESSAVG: 3944600 -8.06114 -6.69 -35.6765 -6.69003 -3.80358 -30.7415 -35.6765 -30.7414 -12.3596 GPRESSAVG: 3944600 -6.57682 -5.16981 -34.2991 -6.0732 -4.12418 -31.8447 -36.6235 -29.233 -13.0584 TIMING: 3944600 CPU: 12528.2, 0.00313514/step Wall: 12528.2, 0.00313514/step, 0.919117 hours remaining, 239.835938 MB of memory in use. ENERGY: 3944600 3965.2863 20603.0090 14457.0124 243.4947 -203207.8179 2477.6749 0.0000 0.0000 51938.6540 -109522.6867 298.4922 -161461.3407 -109165.6246 299.0933 -265.8158 -243.7083 762070.2270 -8.0748 -7.9198 PRESSURE: 3944800 90.9876 115.367 -119.88 115.367 -162.501 176.639 -119.879 176.639 -118.545 GPRESSURE: 3944800 98.3601 165.44 -14.3243 24.6767 -135.353 77.3352 -72.7669 118.904 -77.827 PRESSAVG: 3944800 -30.3631 41.3083 -4.32762 41.3082 43.3635 -39.4772 -4.32759 -39.4772 -7.12943 GPRESSAVG: 3944800 -31.2922 40.616 -5.51018 40.96 43.9913 -39.2881 -2.81905 -39.6943 -6.82178 TIMING: 3944800 CPU: 12528.8, 0.00313582/step Wall: 12528.8, 0.00313582/step, 0.919144 hours remaining, 239.835938 MB of memory in use. ENERGY: 3944800 3971.9123 20432.6712 14424.6341 248.2774 -203703.5948 2882.7816 0.0000 0.0000 51975.0178 -109768.3004 298.7011 -161743.3181 -109398.3019 299.3259 -63.3527 -38.2734 762087.6985 1.9570 1.9591 PRESSURE: 3945000 185.621 -135.193 -6.35469 -135.193 -154.088 302.608 -6.35361 302.608 -156.946 GPRESSURE: 3945000 282.848 -173.744 -17.8002 -209.383 -105.956 256.794 47.2547 190.87 -208.908 PRESSAVG: 3945000 -22.8982 -29.5482 -63.0196 -29.5482 22.5886 -45.6082 -63.0196 -45.6081 9.12029 GPRESSAVG: 3945000 -22.2844 -29.6727 -63.142 -28.6686 22.1742 -45.208 -62.7776 -45.8187 9.37213 TIMING: 3945000 CPU: 12529.4, 0.00312406/step Wall: 12529.4, 0.00312406/step, 0.915522 hours remaining, 239.835938 MB of memory in use. ENERGY: 3945000 4066.2238 20565.9754 14376.4624 240.2308 -203600.3286 2677.9761 0.0000 0.0000 51937.4147 -109736.0454 298.4850 -161673.4601 -109379.4548 298.9770 -41.8042 -10.6724 760687.6915 2.9369 3.0873 PRESSURE: 3945200 -258.925 42.8057 210.866 42.8066 -204.101 91.7354 210.866 91.7352 -218.301 GPRESSURE: 3945200 -233.299 59.7331 175.462 72.277 -152.414 76.6434 305.788 111.657 -216.441 PRESSAVG: 3945200 -13.4598 -23.4483 46.3899 -23.4482 19.2904 30.1778 46.3899 30.1778 7.24083 GPRESSAVG: 3945200 -13.777 -24.099 46.8792 -22.2016 19.4151 30.6959 45.88 29.4357 7.48943 TIMING: 3945200 CPU: 12530.1, 0.0031507/step Wall: 12530.1, 0.0031507/step, 0.923156 hours remaining, 239.835938 MB of memory in use. ENERGY: 3945200 4062.2776 20547.9693 14446.2234 250.3221 -203911.8782 2745.5980 0.0000 0.0000 52044.6287 -109814.8591 299.1012 -161859.4877 -109455.7538 299.0119 -227.1089 -200.7179 760571.3249 4.3571 4.3758 PRESSURE: 3945400 -40.7492 3.86845 21.6272 3.86852 -53.2059 213.836 21.6275 213.835 53.8393 GPRESSURE: 3945400 -40.651 89.8895 -0.973266 -79.3349 7.45112 285.597 100.068 217.191 62.3152 PRESSAVG: 3945400 37.8986 -27.2616 -1.16018 -27.2616 9.36425 12.1867 -1.16013 12.1868 8.98298 GPRESSAVG: 3945400 37.2808 -26.9967 -2.56638 -29.2546 9.52891 13.0914 -0.420617 13.1622 9.42379 TIMING: 3945400 CPU: 12530.7, 0.00318906/step Wall: 12530.7, 0.00318906/step, 0.934217 hours remaining, 239.835938 MB of memory in use. ENERGY: 3945400 4070.3826 20566.9596 14414.8911 272.5358 -203883.2114 2795.1049 0.0000 0.0000 51942.8488 -109820.4885 298.5163 -161763.3373 -109456.9182 298.8759 -13.3719 9.7051 762383.8849 18.7486 18.7445 PRESSURE: 3945600 215.538 175.593 -41.9368 175.593 40.2167 -59.6546 -41.9372 -59.6536 179.545 GPRESSURE: 3945600 295.977 145.287 -160.2 138.196 75.4453 -89.9035 -65.3364 -72.7478 162.949 PRESSAVG: 3945600 12.7627 32.6441 -4.24598 32.6441 -35.9472 50.7696 -4.24597 50.7698 25.7311 GPRESSAVG: 3945600 14.2399 34.3396 -4.82244 30.9957 -36.5209 52.1729 -2.89828 50.5257 24.8496 TIMING: 3945600 CPU: 12531.3, 0.00317914/step Wall: 12531.3, 0.00317914/step, 0.931135 hours remaining, 239.835938 MB of memory in use. ENERGY: 3945600 3990.4640 20548.6560 14342.6947 245.0441 -203919.4272 3218.3601 0.0000 0.0000 52009.5472 -109564.6610 298.8996 -161574.2082 -109202.4376 298.8160 145.1000 178.1240 760244.4950 0.8489 0.8562 PRESSURE: 3945800 -33.4656 94.1679 -86.4753 94.1682 -98.7034 -118.907 -86.4756 -118.907 -144.217 GPRESSURE: 3945800 -18.8164 121.107 -109.827 71.075 -79.7715 -168.123 -87.4583 -68.2313 -96.1613 PRESSAVG: 3945800 23.2069 38.4496 58.3213 38.4497 0.779398 37.8921 58.3213 37.8921 -7.45339 GPRESSAVG: 3945800 23.7248 37.2717 58.2254 40.4187 0.488254 35.6223 57.7086 38.8109 -7.63664 TIMING: 3945800 CPU: 12532, 0.00315678/step Wall: 12532, 0.00315678/step, 0.924412 hours remaining, 239.835938 MB of memory in use. ENERGY: 3945800 3970.4710 20502.2731 14348.1121 249.9902 -203301.5557 2378.4818 0.0000 0.0000 52161.7881 -109690.4394 299.7745 -161852.2275 -109323.7610 298.8583 -92.1286 -64.9164 760780.5209 5.5110 5.5255 PRESSURE: 3946000 61.8406 221.436 -50.9433 221.435 132.629 -160.299 -50.9436 -160.299 -13.4586 GPRESSURE: 3946000 61.8128 113.863 -70.8065 136.462 210.572 -122.408 -24.9122 12.5028 -10.8175 PRESSAVG: 3946000 43.4197 -22.0249 -22.5468 -22.0251 -30.4733 2.63379 -22.5467 2.63378 14.4628 GPRESSAVG: 3946000 42.6457 -22.7959 -23.8991 -20.3501 -29.619 2.30648 -23.0096 3.10581 14.5828 TIMING: 3946000 CPU: 12532.6, 0.0031395/step Wall: 12532.6, 0.0031395/step, 0.919175 hours remaining, 239.835938 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: 3946000 3936.7061 20403.7791 14521.2029 251.7801 -203210.5150 2463.8444 0.0000 0.0000 52148.7013 -109484.5012 299.6993 -161633.2025 -109111.8363 299.5172 60.3370 87.1892 761632.6712 9.1364 9.2032 PRESSURE: 3946200 168.448 -51.1969 -73.5518 -51.1968 2.3014 136.159 -73.5518 136.159 -169.397 GPRESSURE: 3946200 167.269 -21.4757 45.6907 -29.9034 104.532 183.907 -212.187 119.323 -182.127 PRESSAVG: 3946200 -5.87935 -19.3303 -40.0936 -19.3303 10.9672 12.6127 -40.0936 12.6127 -1.35774 GPRESSAVG: 3946200 -4.94313 -17.7435 -38.0625 -21.0068 10.7367 14.4637 -41.6852 10.8438 -2.0963 TIMING: 3946200 CPU: 12533.2, 0.00312932/step Wall: 12533.2, 0.00312932/step, 0.916022 hours remaining, 239.835938 MB of memory in use. ENERGY: 3946200 3987.4357 20637.9781 14372.5964 239.1858 -203448.1274 2502.0015 0.0000 0.0000 52209.2517 -109499.6783 300.0473 -161708.9300 -109142.1126 298.8448 0.4506 29.8912 761559.2864 1.2434 1.2324 PRESSURE: 3946400 28.9836 23.3028 5.12114 23.3022 204.385 113.639 5.12092 113.638 81.1439 GPRESSURE: 3946400 120.664 37.4615 -2.93666 21.6727 173.976 162.642 91.4779 -89.3808 115.36 PRESSAVG: 3946400 10.9447 17.7813 -9.21329 17.7813 10.9566 -8.54862 -9.21322 -8.54864 10.6202 GPRESSAVG: 3946400 9.95721 18.6005 -8.12675 16.8785 11.9794 -8.09096 -10.1134 -9.79724 11.1188 TIMING: 3946400 CPU: 12533.9, 0.0031529/step Wall: 12533.9, 0.0031529/step, 0.92275 hours remaining, 239.835938 MB of memory in use. ENERGY: 3946400 3985.5235 20471.8713 14452.7469 239.7012 -203067.7223 2371.4506 0.0000 0.0000 52329.9483 -109216.4805 300.7409 -161546.4289 -108854.1075 299.9426 104.8375 136.6665 760817.0031 10.8405 11.0185 PRESSURE: 3946600 71.6814 -124.138 -133.022 -124.138 -185.68 163.077 -133.023 163.076 188.064 GPRESSURE: 3946600 127.169 63.8835 -47.8904 -186.467 -76.6998 181.031 -108.803 87.4576 124.676 PRESSAVG: 3946600 10.3431 10.8433 32.7911 10.8434 -54.7023 42.1614 32.7911 42.1614 -29.2749 GPRESSAVG: 3946600 12.3555 10.2704 31.5246 11.7792 -55.3799 41.9947 34.8754 42.0973 -30.3133 TIMING: 3946600 CPU: 12534.5, 0.00313338/step Wall: 12534.5, 0.00313338/step, 0.916863 hours remaining, 239.835938 MB of memory in use. ENERGY: 3946600 3985.5613 20587.5899 14425.5754 254.6079 -203168.9559 2557.4430 0.0000 0.0000 52167.1025 -109191.0759 299.8051 -161358.1784 -108825.6557 299.6853 24.6884 58.3818 761957.4545 -24.5447 -24.4459 PRESSURE: 3946800 304.867 30.2851 -61.3641 30.2856 82.8517 -174.866 -61.3636 -174.867 130.95 GPRESSURE: 3946800 338.565 -64.2585 10.6125 18.9191 183.099 -190.495 -177.813 -163.567 96.6533 PRESSAVG: 3946800 -13.5131 -6.33845 -30.6095 -6.33845 2.1841 -56.7836 -30.6095 -56.7835 13.6392 GPRESSAVG: 3946800 -14.7309 -6.27877 -29.2811 -6.28681 1.38762 -57.5882 -29.9423 -54.2762 15.1438 TIMING: 3946800 CPU: 12535.1, 0.00317012/step Wall: 12535.1, 0.00317012/step, 0.927435 hours remaining, 239.835938 MB of memory in use. ENERGY: 3946800 4040.3550 20300.9653 14361.7970 256.9951 -203657.3491 2987.1679 0.0000 0.0000 52150.8328 -109559.2362 299.7116 -161710.0689 -109200.8786 299.6118 172.8894 206.1058 761847.7777 0.7700 0.6002 PRESSURE: 3947000 125.079 94.5726 -285.299 94.5729 71.0514 34.6994 -285.3 34.7001 61.7068 GPRESSURE: 3947000 182.766 107.159 -343.543 34.889 72.8851 35.693 -256.148 22.305 94.1511 PRESSAVG: 3947000 12.4702 0.900817 -6.19712 0.90082 24.2059 6.91878 -6.19712 6.91869 -36.6389 GPRESSAVG: 3947000 11.7631 0.231956 -6.90877 -0.41922 22.9792 6.80655 -6.79067 7.23712 -35.1026 TIMING: 3947000 CPU: 12535.7, 0.0031561/step Wall: 12535.7, 0.0031561/step, 0.923158 hours remaining, 239.835938 MB of memory in use. ENERGY: 3947000 4041.6371 20449.9750 14445.8505 252.6551 -203760.7040 2833.5111 0.0000 0.0000 52052.3704 -109684.7049 299.1457 -161737.0753 -109324.3802 299.4219 85.9457 116.6007 761015.4456 0.0124 -0.1201 PRESSURE: 3947200 -359.539 9.26426 -39.5897 9.26417 -78.5464 94.5184 -39.59 94.5192 -117.726 GPRESSURE: 3947200 -264.219 -69.1965 -33.6618 -35.3905 -112.15 -38.0577 14.3828 98.8499 -85.9271 PRESSAVG: 3947200 12.0555 26.2373 46.1572 26.2373 -24.3602 -13.5242 46.1572 -13.5242 15.8824 GPRESSAVG: 3947200 11.5992 24.402 45.4987 27.2424 -21.3416 -13.0878 46.5259 -13.6419 13.4631 TIMING: 3947200 CPU: 12536.4, 0.00315698/step Wall: 12536.4, 0.00315698/step, 0.923241 hours remaining, 239.835938 MB of memory in use. ENERGY: 3947200 3945.3495 20406.1281 14454.2677 236.6115 -203682.7397 2730.1607 0.0000 0.0000 52159.7759 -109750.4464 299.7629 -161910.2224 -109379.4824 299.4699 -185.2706 -154.0987 760335.3256 1.1926 1.2402 PRESSURE: 3947400 -220.345 24.1142 89.5995 24.114 173.762 51.6913 89.5993 51.6919 296.666 GPRESSURE: 3947400 -162.875 -19.0111 138.887 -136.589 129.292 66.0892 60.6861 17.0827 381.372 PRESSAVG: 3947400 20.3317 17.4062 -1.72629 17.4063 -31.5132 21.4297 -1.72618 21.4297 -19.0972 GPRESSAVG: 3947400 21.2066 18.9864 -2.63877 17.3177 -32.8337 23.7857 -2.40435 21.2284 -18.6596 TIMING: 3947400 CPU: 12537, 0.00317132/step Wall: 12537, 0.00317132/step, 0.927258 hours remaining, 239.835938 MB of memory in use. ENERGY: 3947400 4057.7034 20572.0963 14354.6881 243.8158 -203359.3652 2429.4820 0.0000 0.0000 52192.5399 -109509.0396 299.9512 -161701.5795 -109152.4097 299.4301 83.3609 115.9297 761320.5551 -10.0929 -10.0956 PRESSURE: 3947600 -294.945 -38.1664 -74.1753 -38.1659 -68.2002 29.5906 -74.1758 29.5915 175.939 GPRESSURE: 3947600 -206.284 57.9173 -155.365 45.3582 -64.9427 -5.96672 14.4993 42.2486 172.843 PRESSAVG: 3947600 3.83117 9.31977 18.5545 9.31978 8.75195 -33.9553 18.5545 -33.9552 28.3913 GPRESSAVG: 3947600 3.55407 8.51915 20.1355 8.56083 8.37216 -38.2212 16.857 -33.7235 28.9242 TIMING: 3947600 CPU: 12537.6, 0.00316379/step Wall: 12537.6, 0.00316379/step, 0.924881 hours remaining, 239.835938 MB of memory in use. ENERGY: 3947600 3984.2821 20380.9704 14473.2488 249.5158 -203280.2699 2511.0043 0.0000 0.0000 52087.8590 -109593.3893 299.3496 -161681.2484 -109228.7443 299.9340 -62.4020 -32.7945 761491.3165 13.6581 13.6168 PRESSURE: 3947800 -267.057 -74.2098 -51.5718 -74.2096 -109.937 -84.9552 -51.5716 -84.9559 -50.2003 GPRESSURE: 3947800 -253.062 -142.45 -40.1719 -78.1083 -43.1384 -45.1801 -112.341 -135.271 -32.5467 PRESSAVG: 3947800 -43.6135 10.6995 -27.5239 10.6995 24.4089 22.441 -27.5239 22.441 8.3834 GPRESSAVG: 3947800 -41.5598 12.3161 -28.0691 8.32291 23.763 25.3889 -24.9929 22.1228 6.64119 TIMING: 3947800 CPU: 12538.3, 0.0031421/step Wall: 12538.3, 0.0031421/step, 0.918365 hours remaining, 239.835938 MB of memory in use. ENERGY: 3947800 4001.0664 20466.8647 14370.3994 249.8478 -203472.2720 2440.0695 0.0000 0.0000 52181.3263 -109762.6980 299.8868 -161944.0243 -109393.0242 299.5655 -142.3980 -109.5824 760857.6172 -3.6071 -3.7185 PRESSURE: 3948000 3.71943 78.657 -84.3093 78.6577 -287.863 -141.022 -84.3103 -141.023 198.169 GPRESSURE: 3948000 47.8826 59.0881 -101.411 107.659 -277.995 -125.546 -173.012 -105.674 214.888 PRESSAVG: 3948000 -16.4892 -61.4877 -29.6182 -61.4878 44.5255 -4.60885 -29.6182 -4.60879 5.55553 GPRESSAVG: 3948000 -17.7463 -61.293 -28.7696 -57.7931 46.1951 -4.58229 -31.7767 -5.17242 4.75791 TIMING: 3948000 CPU: 12538.9, 0.00316342/step Wall: 12538.9, 0.00316342/step, 0.924422 hours remaining, 239.835938 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: 3948000 3971.8459 20712.4130 14399.4323 232.8736 -204030.1140 2770.0731 0.0000 0.0000 52166.8965 -109776.5796 299.8039 -161943.4761 -109417.6644 299.1833 -28.6582 -5.0746 760821.6115 11.1973 11.0689 PRESSURE: 3948200 -190.714 45.9007 -75.0857 45.901 -36.3707 45.7242 -75.0868 45.7234 -186.499 GPRESSURE: 3948200 -144.789 -44.0306 -64.6333 49.9692 -38.0025 96.5556 -211.075 19.8466 -153.825 PRESSAVG: 3948200 47.3675 -47.2375 13.3642 -47.2374 -15.4167 11.0769 13.3642 11.0768 17.6702 GPRESSAVG: 3948200 46.6353 -47.2432 13.4247 -48.0439 -16.3058 12.1674 12.7199 9.76076 18.6344 TIMING: 3948200 CPU: 12539.5, 0.00316807/step Wall: 12539.5, 0.00316807/step, 0.925604 hours remaining, 239.835938 MB of memory in use. ENERGY: 3948200 3891.9474 20610.7711 14402.9837 263.1994 -203741.5408 2652.3862 0.0000 0.0000 52219.1309 -109701.1220 300.1041 -161920.2530 -109338.8680 299.4005 -137.8611 -112.2053 762295.7619 16.5404 16.3213 LDB: ============= START OF LOAD BALANCING ============== 12552 LDB: ============== END OF LOAD BALANCING =============== 12552 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12552 LDB: ============= START OF LOAD BALANCING ============== 12552.3 LDB: Largest compute 7064 load 0.033109 is 16.9% of average load 0.195361 LDB: Average compute 0.004351 is 2.2% of average load 0.195361 LDB: TIME 12552.3 LOAD: AVG 0.195361 MAX 0.218309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 12552.3 LOAD: AVG 0.195361 MAX 0.218309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: TIME 12552.3 LOAD: AVG 0.195361 MAX 0.217729 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.418 MB LDB: ============== END OF LOAD BALANCING =============== 12552.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12552.3 PRESSURE: 3948400 -268.981 -198.585 -2.16348 -198.585 -339.656 -52.2065 -2.16376 -52.2071 57.0681 GPRESSURE: 3948400 -245.081 -165.933 55.7779 -186.554 -261.985 10.5663 57.0772 -77.2821 39.5124 PRESSAVG: 3948400 -55.2556 -22.613 -30.5229 -22.613 60.0555 27.794 -30.5229 27.7941 -25.6825 GPRESSAVG: 3948400 -54.5033 -22.4344 -31.7712 -21.9659 58.995 26.5307 -29.4323 30.1045 -25.0532 TIMING: 3948400 CPU: 12540.2, 0.00320386/step Wall: 12540.2, 0.00320386/step, 0.935883 hours remaining, 240.347656 MB of memory in use. ENERGY: 3948400 3953.1612 20564.1454 14380.0608 251.1566 -203258.6757 2289.0617 0.0000 0.0000 52171.6623 -109649.4277 299.8313 -161821.0901 -109283.6462 299.4647 -183.8564 -155.8513 762133.2622 -6.9609 -6.8538 PRESSURE: 3948600 334.729 -8.1489 -211.684 -8.14869 291.245 -31.3019 -211.685 -31.3018 -22.748 GPRESSURE: 3948600 342.65 -86.1103 -141.52 -57.652 363.374 15.8273 -272.707 37.9273 -16.7155 PRESSAVG: 3948600 -19.5634 18.4949 11.9366 18.4949 22.2526 28.921 11.9366 28.921 -4.64403 GPRESSAVG: 3948600 -20.7613 18.25 11.9442 16.865 24.3386 28.695 12.6839 29.3286 -5.98234 TIMING: 3948600 CPU: 12540.8, 0.00314696/step Wall: 12540.8, 0.00314696/step, 0.919086 hours remaining, 240.347656 MB of memory in use. ENERGY: 3948600 3966.5225 20534.2311 14413.1909 232.3251 -204103.2529 3097.9507 0.0000 0.0000 52241.5495 -109617.4830 300.2329 -161859.0324 -109246.1629 299.9490 201.0754 229.7696 759607.3062 -0.6516 -0.8017 PRESSURE: 3948800 29.6093 39.3914 -349.582 39.3909 -203.846 -31.0149 -349.582 -31.0153 136.273 GPRESSURE: 3948800 28.9305 -12.7556 -339.904 18.1337 -169.783 -24.7369 -222.17 -116.924 198.004 PRESSAVG: 3948800 35.7777 51.8726 -38.6992 51.8725 8.65269 23.0847 -38.6991 23.0848 -13.5642 GPRESSAVG: 3948800 36.2477 49.4041 -37.6445 50.7579 6.59992 23.0766 -38.5996 22.0244 -12.2807 TIMING: 3948800 CPU: 12541.4, 0.00316136/step Wall: 12541.4, 0.00316136/step, 0.923116 hours remaining, 240.347656 MB of memory in use. ENERGY: 3948800 4046.4891 20582.1710 14442.6688 244.0357 -203782.1508 2637.6422 0.0000 0.0000 52154.2396 -109674.9044 299.7311 -161829.1440 -109311.7942 299.2555 -12.6545 19.0505 759405.8980 10.2887 10.1890 PRESSURE: 3949000 59.1065 -109.019 -58.6502 -109.019 -0.577189 -163.614 -58.6506 -163.614 -107.283 GPRESSURE: 3949000 95.1228 -106.2 -28.3329 -110.942 24.8709 -72.3747 -40.49 -82.4951 -76.0821 PRESSAVG: 3949000 -0.971333 24.9757 40.4384 24.9757 5.5245 9.62013 40.4384 9.62015 16.8819 GPRESSAVG: 3949000 -1.06809 24.9556 41.202 26.4779 6.73776 8.90992 39.9267 10.7156 16.0108 TIMING: 3949000 CPU: 12542.1, 0.00314574/step Wall: 12542.1, 0.00314574/step, 0.918382 hours remaining, 240.347656 MB of memory in use. ENERGY: 3949000 4024.2893 20655.5232 14380.4848 256.6182 -203773.5216 2709.2365 0.0000 0.0000 52216.1610 -109531.2086 300.0870 -161747.3696 -109175.9608 299.7523 -16.2512 14.6372 758623.8496 7.1450 7.2268 PRESSURE: 3949200 -148.318 -45.6572 147.375 -45.6566 -344.38 109.444 147.375 109.445 67.4293 GPRESSURE: 3949200 -47.7466 36.8415 206.027 55.878 -339.058 45.3814 106.406 78.7887 35.5049 PRESSAVG: 3949200 1.9648 -7.86471 15.7173 -7.86465 -2.60234 13.9786 15.7172 13.9787 -6.75143 GPRESSAVG: 3949200 0.973361 -6.68119 14.3967 -7.22144 -2.90238 15.4067 15.8645 11.9037 -5.56895 TIMING: 3949200 CPU: 12542.7, 0.0031496/step Wall: 12542.7, 0.0031496/step, 0.919334 hours remaining, 240.347656 MB of memory in use. ENERGY: 3949200 3993.5544 20710.2581 14435.4697 254.6935 -203195.1128 2263.9178 0.0000 0.0000 52137.2218 -109399.9975 299.6333 -161537.2193 -109035.8029 299.9418 -141.7560 -117.0999 759036.8348 -2.4630 -2.4993 PRESSURE: 3949400 59.6988 -73.8426 -108.344 -73.8426 -85.7121 157.779 -108.343 157.779 237.331 GPRESSURE: 3949400 123.637 43.7262 -132.554 -83.6887 -42.4287 103.607 -194.393 131.568 197.552 PRESSAVG: 3949400 20.6173 -69.4495 -31.9706 -69.4496 -28.9374 38.55 -31.9706 38.55 5.53351 GPRESSAVG: 3949400 19.5834 -68.8635 -30.7242 -68.6146 -28.4349 38.6764 -32.6065 39.8211 6.34723 TIMING: 3949400 CPU: 12543.3, 0.00314194/step Wall: 12543.3, 0.00314194/step, 0.916922 hours remaining, 240.347656 MB of memory in use. ENERGY: 3949400 3985.6239 20638.3639 14359.5225 255.2741 -203216.3373 2518.4231 0.0000 0.0000 51888.8681 -109570.2615 298.2060 -161459.1297 -109217.6638 299.9221 70.4391 92.9203 759209.2892 -0.9288 -0.8348 PRESSURE: 3949600 209.638 -121.458 146.127 -121.457 -41.6899 -90.5901 146.127 -90.59 147.089 GPRESSURE: 3949600 47.7368 -237.034 202.254 -61.465 101.068 -114.643 69.3609 1.06265 245.944 PRESSAVG: 3949600 17.9511 -2.90427 25.9211 -2.90424 -39.5106 33.6387 25.9212 33.6388 0.800154 GPRESSAVG: 3949600 18.7534 -3.2102 23.9324 -5.49966 -39.5443 32.3797 27.375 34.4188 0.573887 TIMING: 3949600 CPU: 12544, 0.00315799/step Wall: 12544, 0.00315799/step, 0.921433 hours remaining, 240.347656 MB of memory in use. ENERGY: 3949600 4021.9633 20800.9038 14412.5391 244.5104 -203698.2447 2489.6055 0.0000 0.0000 51882.5105 -109846.2120 298.1695 -161728.7225 -109490.9832 299.5688 105.0122 131.5826 759276.1802 -6.9198 -6.7390 PRESSURE: 3949800 -274.757 176.862 85.9233 176.862 -148.772 231.681 85.9235 231.68 -90.7676 GPRESSURE: 3949800 -196.032 86.5254 -6.19093 183.573 -184.967 215.291 102.106 163.089 -43.7746 PRESSAVG: 3949800 57.345 26.3881 -1.01561 26.3881 -68.7004 36.4201 -1.01565 36.4201 5.18884 GPRESSAVG: 3949800 58.5805 25.1945 -0.141295 28.1076 -68.9711 36.908 -1.06912 33.4979 4.23153 TIMING: 3949800 CPU: 12544.6, 0.00316255/step Wall: 12544.6, 0.00316255/step, 0.922586 hours remaining, 240.347656 MB of memory in use. ENERGY: 3949800 4068.1531 20665.4176 14433.7172 238.3489 -203601.3597 2476.1729 0.0000 0.0000 52018.0048 -109701.5452 298.9482 -161719.5500 -109344.0164 299.2527 -171.4323 -141.5912 761123.9051 -2.0555 -2.0530 PRESSURE: 3950000 73.0912 -94.6897 289.635 -94.6913 -289.28 77.6218 289.634 77.622 82.3685 GPRESSURE: 3950000 35.276 -121.06 234.112 -85.9174 -221.812 28.0846 307.417 86.5027 141.329 PRESSAVG: 3950000 55.2773 -8.04751 30.9727 -8.04752 -18.9755 9.3817 30.9727 9.38171 -5.88703 GPRESSAVG: 3950000 54.4674 -7.54588 30.8912 -9.096 -18.4385 8.00034 32.0321 10.7613 -6.18957 TIMING: 3950000 CPU: 12545.2, 0.00315851/step Wall: 12545.2, 0.00315851/step, 0.921232 hours remaining, 240.347656 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: 3950000 3977.8119 20544.1467 14390.2144 271.0554 -203243.6992 2418.7479 0.0000 0.0000 51886.7232 -109754.9998 298.1937 -161641.7229 -109398.9024 299.7531 -44.6069 -15.0687 759313.5536 10.1382 9.9464 PRESSURE: 3950200 -104.289 353.772 118.58 353.772 -306.816 94.6568 118.578 94.6555 -124.814 GPRESSURE: 3950200 -94.2358 238.895 129.222 298.772 -219.562 143.2 122.638 175.944 -152.339 PRESSAVG: 3950200 5.42166 17.6831 64.4027 17.6831 -4.33702 20.5131 64.4028 20.513 11.2486 GPRESSAVG: 3950200 5.49244 16.7506 65.1627 18.0834 -5.142 22.6702 61.4869 21.1696 12.222 TIMING: 3950200 CPU: 12545.9, 0.00317059/step Wall: 12545.9, 0.00317059/step, 0.92458 hours remaining, 240.347656 MB of memory in use. ENERGY: 3950200 4025.9830 20496.8952 14341.7233 236.4673 -203238.8380 2383.8597 0.0000 0.0000 51987.0348 -109766.8747 298.7702 -161753.9095 -109401.1226 298.9939 -178.6396 -155.3792 760885.0004 4.1111 4.1908 PRESSURE: 3950400 139.752 152.913 -139.843 152.913 -96.6546 218.249 -139.844 218.248 232.164 GPRESSURE: 3950400 152.634 219.682 -76.5712 196.273 0.00819714 242.665 -41.5131 214.679 219.052 PRESSAVG: 3950400 -27.0708 1.45921 30.2498 1.45918 0.566031 -20.2052 30.2498 -20.2051 -1.49032 GPRESSAVG: 3950400 -25.5856 1.2856 30.7621 2.10077 -0.14576 -19.1076 30.5261 -22.3419 -2.26561 TIMING: 3950400 CPU: 12546.5, 0.00320286/step Wall: 12546.5, 0.00320286/step, 0.933811 hours remaining, 240.347656 MB of memory in use. ENERGY: 3950400 3983.1874 20633.1204 14365.9772 276.4601 -203276.0349 2350.0421 0.0000 0.0000 52080.5716 -109586.6761 299.3078 -161667.2477 -109237.7912 299.4740 91.7538 123.8980 759996.7440 -9.3317 -9.3323 PRESSURE: 3950600 -271.253 -42.4066 17.1262 -42.4065 -363.447 -162.464 17.1258 -162.464 -123.957 GPRESSURE: 3950600 -220.682 -59.7737 33.6138 20.0764 -320.919 -200.342 76.5882 -28.9204 -129.132 PRESSAVG: 3950600 40.0107 -55.7422 20.81 -55.7422 -11.3693 -44.7487 20.81 -44.7486 10.116 GPRESSAVG: 3950600 38.8625 -54.5702 19.9362 -59.0439 -9.7044 -45.045 21.7711 -44.7193 9.99423 TIMING: 3950600 CPU: 12547.1, 0.00316856/step Wall: 12547.1, 0.00316856/step, 0.923636 hours remaining, 240.347656 MB of memory in use. ENERGY: 3950600 4046.0282 20602.7682 14433.1494 259.3541 -203347.9374 2316.5682 0.0000 0.0000 51985.8142 -109704.2551 298.7632 -161690.0693 -109340.0298 299.2666 -252.8858 -223.5775 760342.2612 12.9191 13.0508 PRESSURE: 3950800 -473.39 -269.716 108.536 -269.716 -111.021 -210.346 108.536 -210.346 -151.603 GPRESSURE: 3950800 -297.152 -249.549 117.063 -160.794 -210.83 -48.247 135.017 -113.357 -134.047 PRESSAVG: 3950800 -22.7505 -12.6242 15.2568 -12.6242 9.73113 0.263469 15.2568 0.26339 -11.8053 GPRESSAVG: 3950800 -22.3809 -11.1507 15.6584 -10.5542 7.54999 -1.66073 15.3185 2.29044 -10.6344 TIMING: 3950800 CPU: 12547.8, 0.00317814/step Wall: 12547.8, 0.00317814/step, 0.926251 hours remaining, 240.347656 MB of memory in use. ENERGY: 3950800 4003.6880 20565.9755 14352.7432 248.3798 -203129.2885 2195.4535 0.0000 0.0000 51969.8672 -109793.1814 298.6715 -161763.0486 -109436.0271 299.4485 -245.3380 -214.0099 761778.9569 -8.2749 -8.4885 PRESSURE: 3951000 45.3914 98.8127 15.2759 98.8132 34.6023 -189.383 15.2756 -189.383 88.5653 GPRESSURE: 3951000 44.5965 181.861 -27.5035 123.92 70.0681 -182.876 1.61482 -28.8698 126.349 PRESSAVG: 3951000 65.2212 21.001 -46.3303 21.001 -8.45507 40.0634 -46.3302 40.0634 13.1306 GPRESSAVG: 3951000 63.5699 20.9866 -45.8951 20.4948 -7.4699 41.6193 -46.9286 38.9703 13.5837 TIMING: 3951000 CPU: 12548.4, 0.00316718/step Wall: 12548.4, 0.00316718/step, 0.922882 hours remaining, 240.347656 MB of memory in use. ENERGY: 3951000 4000.4341 20291.9440 14415.7294 243.9565 -203434.4510 2488.3541 0.0000 0.0000 52182.7812 -109811.2517 299.8952 -161994.0330 -109433.0837 299.3632 56.1863 80.3377 758751.1199 23.2989 23.2279 PRESSURE: 3951200 -139.671 -66.0619 39.8289 -66.0613 -258.383 107.198 39.8288 107.197 -34.9488 GPRESSURE: 3951200 -178.673 52.5912 -38.2821 -31.7675 -179.178 89.9914 126.931 3.56443 -6.62715 PRESSAVG: 3951200 54.6195 -44.795 -11.7757 -44.795 -58.562 1.82597 -11.7757 1.82597 -13.7543 GPRESSAVG: 3951200 55.942 -46.9789 -11.4187 -44.1917 -59.6815 2.83293 -11.7258 2.79864 -14.2633 TIMING: 3951200 CPU: 12549, 0.00316633/step Wall: 12549, 0.00316633/step, 0.922456 hours remaining, 240.347656 MB of memory in use. ENERGY: 3951200 4048.8749 20616.5204 14445.5913 256.3235 -203462.9559 2483.8426 0.0000 0.0000 52039.2658 -109572.5373 299.0704 -161611.8032 -109218.9348 299.5950 -144.3343 -121.4929 760939.0674 -5.8989 -6.0009 PRESSURE: 3951400 -3.6321 22.1768 2.89851 22.1771 172.756 27.7732 2.89921 27.7726 281.605 GPRESSURE: 3951400 99.7051 -70.8773 31.8838 -49.8594 204.053 95.767 -54.4121 15.6354 216.617 PRESSAVG: 3951400 29.7922 -70.1112 -47.1708 -70.1112 -53.4578 64.3058 -47.1709 64.3058 1.99975 GPRESSAVG: 3951400 29.19 -69.8436 -48.6015 -69.753 -53.5699 63.7257 -49.1847 61.6697 2.57486 TIMING: 3951400 CPU: 12549.7, 0.00316442/step Wall: 12549.7, 0.00316442/step, 0.921726 hours remaining, 240.347656 MB of memory in use. ENERGY: 3951400 4000.8949 20496.7632 14384.0993 240.5247 -203578.0018 2602.3447 0.0000 0.0000 52302.5898 -109550.7852 300.5837 -161853.3750 -109174.3084 299.7199 150.2428 173.4585 758946.1391 -7.2219 -7.2683 PRESSURE: 3951600 340.986 89.5954 -23.2316 89.5953 -178.597 272.582 -23.2319 272.581 245.26 GPRESSURE: 3951600 365.625 -10.2822 19.529 112.977 -23.9966 257.26 36.6171 191.292 159.109 PRESSAVG: 3951600 61.6491 -6.61246 -45.1903 -6.61244 -39.304 2.03154 -45.1903 2.03142 9.26218 GPRESSAVG: 3951600 61.6474 -6.34985 -43.0768 -7.38888 -37.8657 1.34894 -44.3868 4.39295 7.74727 TIMING: 3951600 CPU: 12550.3, 0.00315535/step Wall: 12550.3, 0.00315535/step, 0.918908 hours remaining, 240.347656 MB of memory in use. ENERGY: 3951600 4047.6495 20605.2519 14347.8895 220.1310 -203641.8960 2564.0831 0.0000 0.0000 52277.8069 -109579.0840 300.4413 -161856.8909 -109210.9580 300.0231 135.8827 166.9124 758621.0184 10.5357 10.5097 PRESSURE: 3951800 145.236 -189.87 97.2721 -189.871 241.279 237.931 97.2726 237.932 -473.684 GPRESSURE: 3951800 160.946 -158.622 102.37 -143.237 311.779 184.596 -47.9584 233.832 -482.204 PRESSAVG: 3951800 15.1746 -10.1654 -13.5649 -10.1654 9.97394 -9.35678 -13.565 -9.35672 1.98005 GPRESSAVG: 3951800 15.4671 -8.61287 -12.9587 -9.17895 10.2118 -8.00304 -12.551 -10.0192 1.84458 TIMING: 3951800 CPU: 12550.9, 0.00316359/step Wall: 12550.9, 0.00316359/step, 0.921131 hours remaining, 240.347656 MB of memory in use. ENERGY: 3951800 3961.3363 20639.0417 14349.1908 230.8354 -203296.2337 2517.9426 0.0000 0.0000 52167.2726 -109430.6142 299.8060 -161597.8868 -109068.3263 299.8864 -29.0564 -3.1601 759101.7377 9.0429 9.1745 PRESSURE: 3952000 46.2847 -91.5085 -71.3776 -91.5088 -183.595 197.667 -71.3779 197.667 -351.985 GPRESSURE: 3952000 11.8319 -180.964 -55.3172 -138.157 -187.224 305.82 -61.0619 100.545 -233.865 PRESSAVG: 3952000 36.3679 -13.8969 -0.126727 -13.897 -67.2031 14.9446 -0.12677 14.9447 -5.87726 GPRESSAVG: 3952000 37.1726 -14.8601 -1.36928 -16.5396 -68.2954 12.1528 -0.517538 16.2231 -5.07713 TIMING: 3952000 CPU: 12551.6, 0.00314798/step Wall: 12551.6, 0.00314798/step, 0.916411 hours remaining, 240.347656 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: 3952000 3994.5217 20579.8876 14378.9937 238.8541 -203261.1183 2260.7946 0.0000 0.0000 52175.1614 -109632.9052 299.8514 -161808.0666 -109258.1240 299.8519 -163.0982 -136.4188 760925.1160 -12.2375 -12.0666 PRESSURE: 3952200 296.9 13.2836 -218.939 13.2831 137.755 83.5362 -218.939 83.5361 193.79 GPRESSURE: 3952200 358.151 71.571 -170.318 72.1875 183.857 72.26 -187.437 57.8181 189.558 PRESSAVG: 3952200 67.0924 34.6359 -94.8664 34.6358 -44.2103 0.539707 -94.8664 0.539665 -7.00335 GPRESSAVG: 3952200 66.331 33.6779 -97.3883 38.129 -42.5204 1.54647 -92.6345 -1.11976 -8.21523 TIMING: 3952200 CPU: 12552.2, 0.00314959/step Wall: 12552.2, 0.00314959/step, 0.916705 hours remaining, 240.347656 MB of memory in use. ENERGY: 3952200 3916.4951 20512.8570 14429.2892 253.5900 -203826.8885 2896.4662 0.0000 0.0000 52180.3558 -109637.8352 299.8812 -161818.1910 -109272.2744 299.8756 209.4814 243.8556 759209.0986 5.2929 5.1985 LDB: ============= START OF LOAD BALANCING ============== 12564.6 LDB: ============== END OF LOAD BALANCING =============== 12564.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12564.6 LDB: ============= START OF LOAD BALANCING ============== 12565 LDB: Largest compute 7072 load 0.035031 is 17.9% of average load 0.195369 LDB: Average compute 0.004389 is 2.2% of average load 0.195369 LDB: TIME 12565 LOAD: AVG 0.195369 MAX 0.215385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 12565 LOAD: AVG 0.195369 MAX 0.215385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: TIME 12565 LOAD: AVG 0.195369 MAX 0.215385 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: ============== END OF LOAD BALANCING =============== 12565 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12565 PRESSURE: 3952400 36.1092 316.408 -1.38682 316.407 85.9247 -53.9337 -1.38696 -53.9349 25.8751 GPRESSURE: 3952400 75.1467 320.912 -86.0133 284.255 112.521 80.3047 -115.734 7.86167 36.613 PRESSAVG: 3952400 30.6881 78.0796 24.785 78.0795 -28.3857 26.6306 24.785 26.6307 13.9737 GPRESSAVG: 3952400 31.9685 78.0075 26.1069 76.793 -29.9705 27.5467 21.9663 26.3174 13.9846 TIMING: 3952400 CPU: 12552.8, 0.00323229/step Wall: 12552.8, 0.00323229/step, 0.940596 hours remaining, 239.835938 MB of memory in use. ENERGY: 3952400 3998.8875 20542.8169 14313.5270 243.3585 -203323.3031 2530.5849 0.0000 0.0000 52056.5082 -109637.6201 299.1695 -161694.1283 -109267.8116 299.8616 49.3030 74.7604 760039.9436 5.4254 5.3275 PRESSURE: 3952600 346.003 -91.3996 68.5447 -91.3988 227.248 -132.247 68.5446 -132.247 283.315 GPRESSURE: 3952600 306.013 -108.596 35.2665 -15.3799 250.109 -151.142 17.049 -6.30949 396.35 PRESSAVG: 3952600 52.3331 -27.8598 -12.6833 -27.8598 -43.3108 41.9637 -12.6833 41.9638 13.5413 GPRESSAVG: 3952600 51.5519 -27.6553 -13.5742 -26.4416 -42.5069 42.3224 -12.741 41.7237 13.2574 TIMING: 3952600 CPU: 12553.5, 0.00317581/step Wall: 12553.5, 0.00317581/step, 0.923985 hours remaining, 239.835938 MB of memory in use. ENERGY: 3952600 3977.0695 20536.6990 14403.8824 240.8340 -203545.6436 2530.7140 0.0000 0.0000 52243.3889 -109613.0557 300.2435 -161856.4446 -109252.8754 299.4983 285.5219 317.4905 759676.4834 7.5212 7.4341 PRESSURE: 3952800 -168.602 6.81583 -141.719 6.81493 159.344 257.271 -141.719 257.272 308.483 GPRESSURE: 3952800 -112.641 19.6439 -60.1289 -67.962 147.84 293.824 38.5098 243.905 338.665 PRESSAVG: 3952800 41.9209 -9.87903 20.9309 -9.87902 -29.8691 72.9133 20.9309 72.9134 -4.73543 GPRESSAVG: 3952800 41.7466 -9.84184 21.1923 -10.1855 -29.566 69.9318 21.6357 73.8067 -4.60679 TIMING: 3952800 CPU: 12554.1, 0.0031588/step Wall: 12554.1, 0.0031588/step, 0.918859 hours remaining, 239.835938 MB of memory in use. ENERGY: 3952800 3966.2866 20472.2577 14374.8649 246.7361 -203137.2148 2413.3204 0.0000 0.0000 51792.7278 -109871.0213 297.6535 -161663.7491 -109507.4563 298.9424 99.7418 124.6214 760612.7152 2.4388 2.5246 PRESSURE: 3953000 -15.8699 38.6971 -110.356 38.6966 209.922 -141.855 -110.355 -141.855 -21.4572 GPRESSURE: 3953000 98.4244 -61.5863 -52.6855 101.069 150.825 -92.6916 -69.2081 -60.3391 13.7213 PRESSAVG: 3953000 -4.89186 -10.6253 12.5624 -10.6252 9.01173 42.3594 12.5624 42.3593 1.15911 GPRESSAVG: 3953000 -4.02239 -11.0815 15.1391 -11.6917 8.89559 44.2956 13.424 43.0588 0.971062 TIMING: 3953000 CPU: 12554.7, 0.00316462/step Wall: 12554.7, 0.00316462/step, 0.920376 hours remaining, 239.835938 MB of memory in use. ENERGY: 3953000 4029.4006 20412.9409 14364.6992 235.9788 -203780.6107 2961.2102 0.0000 0.0000 52027.9947 -109748.3863 299.0056 -161776.3811 -109400.2627 299.1580 57.5316 87.6570 761404.3438 1.7597 1.9481 PRESSURE: 3953200 -61.798 -108.712 -16.313 -108.712 187.228 -121.963 -16.3124 -121.962 68.2566 GPRESSURE: 3953200 -41.0099 -147.339 92.9469 -55.6 184.218 -187.046 -122.155 -33.3742 128.448 PRESSAVG: 3953200 45.565 -26.3065 -9.84985 -26.3065 -15.5639 -13.5387 -9.84986 -13.5388 17.5973 GPRESSAVG: 3953200 44.8059 -26.4744 -10.6239 -25.2992 -14.975 -12.4193 -12.0722 -13.9243 17.6574 TIMING: 3953200 CPU: 12555.4, 0.00315783/step Wall: 12555.4, 0.00315783/step, 0.918226 hours remaining, 239.835938 MB of memory in use. ENERGY: 3953200 3982.9787 20473.7422 14325.5994 236.1993 -203730.4120 3089.0155 0.0000 0.0000 51962.5772 -109660.2996 298.6296 -161622.8769 -109310.7712 298.9678 64.5621 90.5520 761914.1702 15.8661 15.8294 PRESSURE: 3953400 -277.766 -84.2301 293.442 -84.2307 132.183 279.103 293.442 279.103 -27.0265 GPRESSURE: 3953400 -244.314 -86.791 250.965 -124.801 158.698 226.302 369.416 336.932 -1.99425 PRESSAVG: 3953400 1.07241 -20.2602 -10.7625 -20.2601 -23.5029 0.313064 -10.7625 0.313053 -26.0105 GPRESSAVG: 3953400 0.95996 -18.8172 -11.486 -21.206 -24.8168 0.528167 -11.5348 -0.925289 -24.3854 TIMING: 3953400 CPU: 12556, 0.00313783/step Wall: 12556, 0.00313783/step, 0.912238 hours remaining, 239.835938 MB of memory in use. ENERGY: 3953400 3952.4936 20514.9311 14452.7289 252.4836 -203713.1553 2654.4005 0.0000 0.0000 52118.5092 -109767.6086 299.5258 -161886.1177 -109401.6331 299.0631 -57.5365 -29.2035 761488.3141 -16.1470 -16.0808 PRESSURE: 3953600 73.7119 156.08 129.631 156.081 -124.484 -103.176 129.631 -103.176 -36.0023 GPRESSURE: 3953600 72.237 205.723 181.269 169.926 -84.1872 -140.842 93.8114 -208.615 6.08257 PRESSAVG: 3953600 32.9242 -15.027 19.4197 -15.027 33.4554 -16.8786 19.4198 -16.8787 -0.333602 GPRESSAVG: 3953600 33.1857 -16.5535 19.5572 -15.6096 34.0793 -17.3332 20.6952 -16.5006 -1.09537 TIMING: 3953600 CPU: 12556.6, 0.00313911/step Wall: 12556.6, 0.00313912/step, 0.912436 hours remaining, 239.835938 MB of memory in use. ENERGY: 3953600 3948.2106 20522.3266 14418.5520 243.9702 -203399.0832 2463.3232 0.0000 0.0000 52030.7059 -109771.9948 299.0212 -161802.7007 -109409.5278 299.3368 -28.9249 -1.9559 760524.4765 22.0154 22.0565 PRESSURE: 3953800 -164.401 -61.3618 -100.66 -61.361 -305.227 168.289 -100.66 168.288 13.8393 GPRESSURE: 3953800 -175.831 -8.37926 -63.4752 -87.7523 -280.399 138.182 -143.827 40.14 80.7093 PRESSAVG: 3953800 -3.55233 -35.5178 16.9729 -35.5178 30.7945 -4.49162 16.9729 -4.49166 -11.0989 GPRESSAVG: 3953800 -3.87196 -34.5666 18.1951 -35.2266 30.0695 -3.3027 17.4435 -4.33001 -10.4613 TIMING: 3953800 CPU: 12557.3, 0.00313858/step Wall: 12557.3, 0.00313858/step, 0.912105 hours remaining, 239.835938 MB of memory in use. ENERGY: 3953800 3969.7941 20567.6791 14407.7179 241.2909 -203520.2774 2517.1119 0.0000 0.0000 51804.7566 -110011.9268 297.7226 -161816.6834 -109645.2661 298.6701 -151.9294 -125.1736 761027.5028 5.3811 5.2454 PRESSURE: 3954000 -122.594 0.937088 258.549 0.937652 -293.967 236.204 258.549 236.204 -179.606 GPRESSURE: 3954000 -127.533 -53.4064 196.35 18.4023 -210.438 239.788 293.344 263.676 -175.722 PRESSAVG: 3954000 -11.2876 -21.1418 4.05028 -21.1419 1.79423 38.8998 4.05024 38.8999 0.896832 GPRESSAVG: 3954000 -11.2108 -22.2626 1.42537 -20.4472 3.11154 37.8959 3.78837 39.512 -0.777134 TIMING: 3954000 CPU: 12557.9, 0.00314824/step Wall: 12557.9, 0.00314824/step, 0.914738 hours remaining, 239.835938 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: 3954000 4048.3214 20422.7126 14376.1471 254.7267 -203706.4795 2614.0188 0.0000 0.0000 51977.2753 -110013.2775 298.7141 -161990.5528 -109658.2493 298.1952 -198.7221 -171.2311 759734.8867 -2.8655 -2.9588 PRESSURE: 3954200 -271.212 -298.593 -12.8179 -298.593 242.456 -94.1817 -12.8181 -94.1813 243.706 GPRESSURE: 3954200 -169.209 -107.315 -69.0724 -349.442 189.421 -86.4055 -147.986 -7.7749 243.91 PRESSAVG: 3954200 12.0039 -22.2671 -1.29268 -22.2671 17.1835 7.71329 -1.29263 7.71325 -16.6884 GPRESSAVG: 3954200 13.1978 -21.6669 0.826039 -23.9927 15.5431 7.56813 -1.95945 6.84378 -16.4359 TIMING: 3954200 CPU: 12558.5, 0.00316877/step Wall: 12558.5, 0.00316877/step, 0.920528 hours remaining, 239.835938 MB of memory in use. ENERGY: 3954200 3956.2657 20701.8254 14335.2105 244.5274 -203533.9505 2523.0808 0.0000 0.0000 51819.2767 -109953.7640 297.8061 -161773.0407 -109600.8788 298.7820 71.6501 88.0406 761220.2585 4.1664 4.1017 PRESSURE: 3954400 332.97 214.278 -28.0897 214.278 294.493 139.992 -28.0898 139.992 251.692 GPRESSURE: 3954400 392.231 28.5779 -57.4181 143.904 237.153 110.428 1.01408 142.981 308.249 PRESSAVG: 3954400 -18.756 -7.3647 -32.2888 -7.3647 10.0591 -8.24558 -32.2888 -8.24565 -1.2468 GPRESSAVG: 3954400 -19.3071 -8.16698 -33.5215 -6.89962 10.4729 -7.27138 -32.1431 -8.11569 -1.28202 TIMING: 3954400 CPU: 12559.1, 0.00316561/step Wall: 12559.1, 0.00316561/step, 0.919434 hours remaining, 239.835938 MB of memory in use. ENERGY: 3954400 3990.4515 20431.8993 14386.6317 259.8879 -203307.8923 2547.7688 0.0000 0.0000 51840.7439 -109850.5091 297.9295 -161691.2530 -109495.8088 298.3382 293.0515 312.5442 760238.2570 -3.3146 -3.3721 PRESSURE: 3954600 33.1813 145.265 27.8062 145.266 -211.375 94.9821 27.8063 94.9826 75.0992 GPRESSURE: 3954600 -98.494 -23.8366 -13.876 73.272 -132.223 101.481 70.4357 34.2526 219.452 PRESSAVG: 3954600 -8.1712 35.0142 0.504165 35.0143 25.4331 5.94678 0.504084 5.94677 -4.20831 GPRESSAVG: 3954600 -9.00657 36.2699 0.172144 33.5001 25.0262 4.02376 1.93407 4.23509 -3.12483 TIMING: 3954600 CPU: 12559.8, 0.00315696/step Wall: 12559.8, 0.00315696/step, 0.916747 hours remaining, 239.835938 MB of memory in use. ENERGY: 3954600 4013.0130 20388.1782 14438.2388 261.6256 -203554.8819 2655.1136 0.0000 0.0000 51753.5519 -110045.1608 297.4284 -161798.7128 -109683.0344 298.2997 -34.3648 -3.7550 760255.9528 4.3512 4.2983 PRESSURE: 3954800 -270.771 -289.533 -199.249 -289.534 -165.608 140.156 -199.249 140.156 37.3934 GPRESSURE: 3954800 -217.854 -236.624 -214.68 -191.664 -133.45 69.1382 -57.0664 87.4495 28.7527 PRESSAVG: 3954800 36.8187 40.7768 -1.7891 40.7767 -1.44159 36.241 -1.78912 36.241 27.0014 GPRESSAVG: 3954800 36.3784 38.5751 -0.674915 42.3325 -0.805056 36.2474 -2.32261 36.5714 26.8934 TIMING: 3954800 CPU: 12560.4, 0.00314373/step Wall: 12560.4, 0.00314373/step, 0.91273 hours remaining, 239.835938 MB of memory in use. ENERGY: 3954800 3992.4749 20512.3645 14371.5951 233.7905 -203096.4665 2377.0754 0.0000 0.0000 51989.2415 -109619.9246 298.7829 -161609.1661 -109264.7187 299.1794 -132.9951 -107.5172 762315.2129 20.7928 20.8222 PRESSURE: 3955000 -72.5885 89.7708 -167.656 89.7709 -304.462 -324.586 -167.656 -324.586 -405.262 GPRESSURE: 3955000 -13.409 93.1559 -53.0323 185.897 -287.408 -271.53 -195.423 -344.054 -381.713 PRESSAVG: 3955000 59.3443 -63.1554 -27.2994 -63.1554 -29.7312 -2.81503 -27.2994 -2.81513 -26.5442 GPRESSAVG: 3955000 60.7841 -62.3628 -27.5877 -63.0308 -30.615 -3.18439 -27.083 -2.58735 -27.1754 TIMING: 3955000 CPU: 12561, 0.00319265/step Wall: 12561, 0.00319265/step, 0.926756 hours remaining, 239.835938 MB of memory in use. ENERGY: 3955000 4038.5126 20504.9871 14392.7995 266.4686 -203069.7065 2188.9812 0.0000 0.0000 51909.5020 -109768.4555 298.3246 -161677.9574 -109398.7430 298.9764 -260.7706 -227.5100 761832.4907 1.0230 0.9979 PRESSURE: 3955200 -117.309 10.3276 -67.3988 10.3274 -280.036 -33.7378 -67.3995 -33.738 300.274 GPRESSURE: 3955200 -49.5778 4.47331 -198.16 79.9192 -222.228 -53.0859 -136.182 -61.4059 252.292 PRESSAVG: 3955200 21.2573 -15.7921 -28.8045 -15.7921 -12.3478 15.3708 -28.8046 15.3707 -11.0626 GPRESSAVG: 3955200 20.8694 -14.3766 -28.6223 -15.8018 -11.943 16.7862 -30.6754 13.8345 -11.0866 TIMING: 3955200 CPU: 12561.7, 0.00319094/step Wall: 12561.7, 0.00319094/step, 0.926081 hours remaining, 239.835938 MB of memory in use. ENERGY: 3955200 3845.9544 20560.9269 14442.6359 264.8638 -203038.0646 2210.7711 0.0000 0.0000 51992.2618 -109720.6507 298.8002 -161712.9125 -109350.8464 299.2803 -32.3569 -6.5046 762332.1453 -0.7177 -0.7201 PRESSURE: 3955400 25.6201 43.4504 -52.9827 43.4509 -104.923 -54.4496 -52.9832 -54.4503 -13.8111 GPRESSURE: 3955400 -21.4888 21.9913 -69.8672 86.9391 -36.9336 27.2775 -93.8789 -27.6965 57.11 PRESSAVG: 3955400 52.1275 23.8377 59.693 23.8376 -30.7842 4.74559 59.693 4.7456 -12.2996 GPRESSAVG: 3955400 50.9773 23.6305 59.8632 24.022 -30.0129 3.11362 59.7499 7.1295 -12.2755 TIMING: 3955400 CPU: 12562.3, 0.00317561/step Wall: 12562.3, 0.00317561/step, 0.921455 hours remaining, 239.835938 MB of memory in use. ENERGY: 3955400 4059.9667 20432.7443 14435.7815 246.0841 -203662.9778 2590.4231 0.0000 0.0000 52211.4209 -109686.5573 300.0598 -161897.9782 -109323.9934 298.7608 -31.0379 -0.4375 761166.7466 3.0146 2.8963 PRESSURE: 3955600 114.598 -38.7982 149.065 -38.7977 -124.137 76.6647 149.064 76.6639 675.936 GPRESSURE: 3955600 214.956 -89.9854 174.79 -119.467 -137.174 1.34116 66.7683 25.627 674.465 PRESSAVG: 3955600 14.359 -0.55986 19.5984 -0.55993 15.8926 -29.9975 19.5984 -29.9975 27.3017 GPRESSAVG: 3955600 15.6672 -1.07756 19.8754 -0.0677429 15.3968 -28.3236 21.1117 -30.5062 26.6526 TIMING: 3955600 CPU: 12562.9, 0.0031456/step Wall: 12562.9, 0.0031456/step, 0.912573 hours remaining, 239.835938 MB of memory in use. ENERGY: 3955600 3883.6275 20426.4266 14451.6873 250.6076 -204081.1118 2985.6849 0.0000 0.0000 52256.8549 -109826.2230 300.3209 -162083.0778 -109450.4097 298.6389 222.1324 250.7491 759474.3214 19.1844 19.2389 PRESSURE: 3955800 -170.154 119.645 -350.06 119.645 316.669 -134.398 -350.06 -134.399 266.662 GPRESSURE: 3955800 -6.92394 115.702 -348.424 14.4241 217.251 -125.833 -272.854 -31.9451 286.559 PRESSAVG: 3955800 23.0026 -20.7933 -40.0881 -20.7934 -23.1187 -15.4411 -40.0882 -15.4411 2.82278 GPRESSAVG: 3955800 22.7204 -18.9886 -40.7312 -21.788 -23.4704 -14.6589 -40.645 -15.7809 3.35152 TIMING: 3955800 CPU: 12563.6, 0.00316437/step Wall: 12563.6, 0.00316437/step, 0.917844 hours remaining, 239.835938 MB of memory in use. ENERGY: 3955800 3957.0714 20512.4347 14478.3740 244.4638 -203776.7221 2684.1553 0.0000 0.0000 51886.1652 -110014.0577 298.1905 -161900.2229 -109667.2287 298.7166 137.7259 165.6288 759983.5645 0.9022 0.8672 PRESSURE: 3956000 -507.687 34.3494 129.954 34.3486 -239.137 163.775 129.953 163.776 325.115 GPRESSURE: 3956000 -429.609 80.52 70.9895 33.9534 -176.896 124.209 124.333 102.998 263.229 PRESSAVG: 3956000 -27.6146 -24.8527 30.3399 -24.8527 38.5662 22.003 30.3398 22.0029 -8.55862 GPRESSAVG: 3956000 -28.44 -26.8899 32.3695 -24.4285 39.7782 21.5289 28.6386 23.0547 -8.73766 TIMING: 3956000 CPU: 12564.2, 0.00315235/step Wall: 12564.2, 0.00315235/step, 0.914182 hours remaining, 239.835938 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: 3956000 3966.8077 20348.2236 14430.1392 250.2995 -203359.1740 2367.9870 0.0000 0.0000 51922.5998 -110073.1174 298.3999 -161995.7171 -109709.8695 298.4808 -140.5697 -114.4253 761256.0497 0.7977 0.8669 PRESSURE: 3956200 228.804 -27.8729 98.2494 -27.8737 -8.7963 87.0085 98.2497 87.0087 -249.309 GPRESSURE: 3956200 190.167 142.228 131.185 -207.031 -37.2952 11.9704 12.622 15.7263 -122.13 PRESSAVG: 3956200 10.4137 -43.814 19.0252 -43.8141 -21.136 -6.35526 19.0252 -6.3552 4.03597 GPRESSAVG: 3956200 10.4076 -43.8266 17.4914 -43.2172 -22.0206 -7.768 20.9903 -8.35723 4.79321 TIMING: 3956200 CPU: 12564.8, 0.0031557/step Wall: 12564.8, 0.0031557/step, 0.914977 hours remaining, 239.835938 MB of memory in use. ENERGY: 3956200 3980.6611 20441.3783 14455.3563 248.7716 -203826.7911 2692.3848 0.0000 0.0000 52108.8862 -109899.3527 299.4705 -162008.2389 -109541.5308 298.2999 -9.7672 10.2473 759833.7384 -2.2288 -2.2733 LDB: ============= START OF LOAD BALANCING ============== 12577.3 LDB: ============== END OF LOAD BALANCING =============== 12577.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12577.3 LDB: ============= START OF LOAD BALANCING ============== 12577.6 LDB: Largest compute 7072 load 0.034620 is 17.7% of average load 0.195382 LDB: Average compute 0.004395 is 2.2% of average load 0.195382 LDB: TIME 12577.6 LOAD: AVG 0.195382 MAX 0.216654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 12577.6 LOAD: AVG 0.195382 MAX 0.216654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: TIME 12577.6 LOAD: AVG 0.195382 MAX 0.216654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: ============== END OF LOAD BALANCING =============== 12577.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12577.6 PRESSURE: 3956400 -74.9859 -111.36 25.4493 -111.36 3.6472 9.84837 25.4489 9.84852 292.464 GPRESSURE: 3956400 2.20759 -32.5567 10.0793 39.2442 10.4842 -40.4541 103.032 55.0931 284.367 PRESSAVG: 3956400 43.2017 -27.8148 -8.42619 -27.8148 -43.7628 -46.2328 -8.42613 -46.2328 8.15101 GPRESSAVG: 3956400 42.5293 -28.0979 -7.68334 -26.5377 -42.1246 -45.1162 -8.72836 -43.3304 7.49944 TIMING: 3956400 CPU: 12565.5, 0.00321699/step Wall: 12565.5, 0.00321699/step, 0.93257 hours remaining, 239.179688 MB of memory in use. ENERGY: 3956400 3925.5004 20520.6057 14412.3036 253.4833 -203483.4533 2470.0071 0.0000 0.0000 52057.4316 -109844.1216 299.1748 -161901.5532 -109484.2198 298.5225 73.7083 99.0197 761230.6562 2.5300 2.6347 PRESSURE: 3956600 25.3561 128.1 -150.219 128.101 -80.6002 29.5389 -150.22 29.5388 -427.704 GPRESSURE: 3956600 71.6764 67.6233 -121.48 120.322 -71.8423 67.1642 -116.613 -4.97278 -412.6 PRESSAVG: 3956600 -3.55101 -63.8285 12.4192 -63.8285 -7.23201 20.2897 12.4192 20.2897 0.558764 GPRESSAVG: 3956600 -2.46845 -62.1857 12.9055 -65.9921 -9.39908 20.1903 12.3989 18.7476 1.97676 TIMING: 3956600 CPU: 12566.1, 0.00316056/step Wall: 12566.1, 0.00316055/step, 0.916034 hours remaining, 239.179688 MB of memory in use. ENERGY: 3956600 3941.7972 20461.9027 14391.1351 234.4656 -203553.2955 2442.7362 0.0000 0.0000 52183.7937 -109897.4649 299.9010 -162081.2586 -109518.2983 298.8206 -160.9826 -137.5888 761630.0641 -3.4081 -3.2969 PRESSURE: 3956800 -91.1805 111.37 -131.275 111.369 -101.904 -134.85 -131.275 -134.85 -333.984 GPRESSURE: 3956800 -37.215 55.8174 -119.191 195.793 -44.4567 -174.196 -105.679 -69.0118 -365.35 PRESSAVG: 3956800 25.1935 8.02547 -45.8845 8.02545 -2.20047 -4.36298 -45.8845 -4.36297 -2.44525 GPRESSAVG: 3956800 24.8429 6.44324 -46.5873 9.76539 -0.518804 -3.14317 -44.8904 -5.79199 -3.66825 TIMING: 3956800 CPU: 12566.8, 0.00316241/step Wall: 12566.8, 0.00316241/step, 0.916396 hours remaining, 239.179688 MB of memory in use. ENERGY: 3956800 4016.3860 20573.4508 14417.3052 222.7624 -203515.9751 2414.7221 0.0000 0.0000 51871.6947 -109999.6538 298.1073 -161871.3485 -109636.2890 298.8678 -175.6895 -149.0071 760635.3813 6.8493 6.8853 PRESSURE: 3957000 233.724 -50.046 248.226 -50.0458 153.591 -101.367 248.226 -101.367 72.1394 GPRESSURE: 3957000 306.205 32.1715 78.8676 -96.5451 186.07 -21.4368 122.833 -111.051 67.0842 PRESSAVG: 3957000 -20.3248 4.91536 8.9283 4.91539 -2.73884 3.50047 8.92827 3.50044 3.50097 GPRESSAVG: 3957000 -20.4836 7.25695 7.82259 2.26144 -4.67267 1.60758 7.98422 8.75426 5.39004 TIMING: 3957000 CPU: 12567.4, 0.00314516/step Wall: 12567.4, 0.00314516/step, 0.911223 hours remaining, 239.179688 MB of memory in use. ENERGY: 3957000 4002.0984 20280.4572 14356.0303 245.1250 -203748.5092 2746.4859 0.0000 0.0000 51938.1651 -110180.1474 298.4893 -162118.3124 -109809.3746 297.7344 153.1515 186.4529 759831.9719 -6.5209 -6.5887 PRESSURE: 3957200 -134.427 97.1259 93.5279 97.1252 -122.536 67.9603 93.5277 67.9603 220.892 GPRESSURE: 3957200 -150.927 123.725 91.2403 181.047 -87.494 -24.2668 176.892 -19.9751 287.87 PRESSAVG: 3957200 21.7613 27.5098 42.7068 27.5098 -22.4335 -19.6506 42.7068 -19.6506 -19.5477 GPRESSAVG: 3957200 21.4558 26.7761 42.3141 29.3972 -22.0806 -17.9961 42.2134 -22.4423 -20.2268 TIMING: 3957200 CPU: 12568, 0.00315446/step Wall: 12568, 0.00315446/step, 0.913741 hours remaining, 239.179688 MB of memory in use. ENERGY: 3957200 4042.4086 20450.1712 14404.3321 244.3716 -203284.1124 2266.3681 0.0000 0.0000 51750.6773 -110125.7835 297.4119 -161876.4608 -109767.8150 298.1075 -12.0234 16.4829 761155.8090 -6.7400 -6.9505 PRESSURE: 3957400 -154.804 -2.39957 -155.465 -2.3991 -392.232 200.582 -155.465 200.583 172.622 GPRESSURE: 3957400 -132.277 18.8682 -200.175 17.8137 -275.897 184.634 -24.0152 183.341 104.32 PRESSAVG: 3957400 13.0647 -80.8022 -8.10799 -80.8022 -11.6098 25.092 -8.10801 25.092 14.7629 GPRESSAVG: 3957400 11.5389 -81.9596 -7.88707 -80.7738 -9.22336 24.475 -8.20024 25.2237 13.9651 TIMING: 3957400 CPU: 12568.6, 0.00314228/step Wall: 12568.6, 0.00314228/step, 0.910039 hours remaining, 239.179688 MB of memory in use. ENERGY: 3957400 3912.0261 20435.1315 14473.9972 236.4947 -203444.7664 2462.2143 0.0000 0.0000 51975.9220 -109948.9806 298.7063 -161924.9025 -109589.0773 297.7440 -124.8047 -101.2849 760223.3618 5.4059 5.4269 PRESSURE: 3957600 -15.7987 4.82466 18.3436 4.82532 234.596 -93.3205 18.3436 -93.32 -152.223 GPRESSURE: 3957600 55.0085 -71.8317 18.625 -21.7135 218.024 -57.8165 2.81161 -157.803 -120.463 PRESSAVG: 3957600 -39.6978 10.2598 15.8666 10.2597 36.4542 12.2935 15.8667 12.2936 4.31988 GPRESSAVG: 3957600 -38.8465 11.8069 17.2217 9.01745 36.3904 13.2262 15.8595 10.9993 3.81187 TIMING: 3957600 CPU: 12569.3, 0.00314142/step Wall: 12569.3, 0.00314142/step, 0.909615 hours remaining, 239.179688 MB of memory in use. ENERGY: 3957600 4005.4275 20437.9788 14352.4494 247.7221 -203466.0079 2817.0899 0.0000 0.0000 51898.0188 -109707.3214 298.2586 -161605.3402 -109352.2322 298.7939 22.1915 50.8564 761027.7188 0.3588 0.4519 PRESSURE: 3957800 -300.699 105.829 -29.419 105.829 -23.3711 -71.4722 -29.4195 -71.4716 -46.1945 GPRESSURE: 3957800 -213.323 183.388 -34.9886 259.679 -7.66663 -35.5492 56.3094 -23.0445 -70.8983 PRESSAVG: 3957800 -14.3038 -30.6146 -55.3022 -30.6146 14.4213 28.0452 -55.3022 28.0452 -0.9402 GPRESSAVG: 3957800 -14.9031 -31.149 -56.7092 -30.7271 14.5253 28.5415 -54.5132 29.4848 -0.477102 TIMING: 3957800 CPU: 12569.9, 0.00314949/step Wall: 12569.9, 0.00314949/step, 0.911778 hours remaining, 239.179688 MB of memory in use. ENERGY: 3957800 3888.5584 20371.5182 14372.7327 261.3215 -203302.9084 2621.3021 0.0000 0.0000 51943.1623 -109844.3131 298.5181 -161787.4754 -109482.2925 298.8257 -123.4215 -97.2960 760703.5482 -0.2742 -0.2850 PRESSURE: 3958000 -146.933 -75.5746 252.498 -75.575 118.126 120.3 252.497 120.3 52.4997 GPRESSURE: 3958000 -43.8517 -158.635 236.346 -65.268 6.14713 67.3146 209.439 23.8092 154.151 PRESSAVG: 3958000 8.51236 44.29 -36.6703 44.29 34.2484 -1.27504 -36.6703 -1.27498 3.41951 GPRESSAVG: 3958000 9.86404 44.2621 -35.004 44.8903 32.6107 -2.69716 -37.0234 -1.81144 3.36136 TIMING: 3958000 CPU: 12570.5, 0.00317315/step Wall: 12570.5, 0.00317315/step, 0.91845 hours remaining, 239.179688 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: 3958000 3931.0659 20571.7848 14429.9206 241.1818 -202941.7233 2303.7503 0.0000 0.0000 51790.7340 -109673.2859 297.6421 -161464.0200 -109319.4011 298.7735 7.8975 38.8153 761405.9993 15.3934 15.2787 PRESSURE: 3958200 -182.071 -86.362 11.3381 -86.3628 -406.44 30.812 11.3386 30.813 54.8702 GPRESSURE: 3958200 -148.949 45.5124 55.3479 -115.493 -346.266 -23.4442 -24.3883 -32.6278 34.2472 PRESSAVG: 3958200 46.8305 2.6532 -54.0325 2.65316 -39.3519 -14.0829 -54.0325 -14.083 6.22009 GPRESSAVG: 3958200 46.4916 4.35875 -53.0974 2.51708 -37.9405 -13.8703 -56.5376 -14.4505 5.18915 TIMING: 3958200 CPU: 12571.2, 0.00316208/step Wall: 12571.2, 0.00316208/step, 0.915072 hours remaining, 239.179688 MB of memory in use. ENERGY: 3958200 4065.8511 20574.0558 14511.2902 262.7500 -203551.9136 2707.4025 0.0000 0.0000 51953.8187 -109476.7452 298.5793 -161430.5639 -109122.8739 299.1103 -177.8802 -153.6557 762533.1227 4.5662 4.5801 PRESSURE: 3958400 -37.132 71.3173 -0.582113 71.3172 35.1811 -84.1991 -0.582216 -84.1997 40.773 GPRESSURE: 3958400 -20.3403 -76.4338 -160.823 127.878 118.978 -60.4443 -10.3242 14.2123 18.9065 PRESSAVG: 3958400 62.0529 61.1845 -52.2621 61.1845 -15.2052 -35.8401 -52.2621 -35.8401 24.7957 GPRESSAVG: 3958400 61.0519 59.0886 -52.9021 62.7358 -14.9014 -35.5386 -50.6353 -34.781 25.1261 TIMING: 3958400 CPU: 12571.8, 0.00315719/step Wall: 12571.8, 0.00315719/step, 0.913481 hours remaining, 239.179688 MB of memory in use. ENERGY: 3958400 3935.0443 20648.9545 14430.7317 222.6745 -203601.0922 2859.4846 0.0000 0.0000 52020.5300 -109483.6727 298.9627 -161504.2026 -109124.6222 299.8827 12.9407 39.1813 762191.6691 23.8811 23.7588 PRESSURE: 3958600 96.751 29.4714 -157.786 29.4713 103.201 118.338 -157.787 118.337 148.334 GPRESSURE: 3958600 152.768 92.4752 -110.455 34.3584 39.0196 58.8988 -131.804 211.698 237.403 PRESSAVG: 3958600 7.79505 51.9882 -28.7872 51.9882 -53.0309 -11.9054 -28.7873 -11.9054 12.2572 GPRESSAVG: 3958600 9.1309 51.4787 -28.807 50.6832 -55.4647 -12.2365 -28.0709 -12.0858 13.7749 TIMING: 3958600 CPU: 12572.4, 0.00313318/step Wall: 12572.4, 0.00313318/step, 0.906359 hours remaining, 239.179688 MB of memory in use. ENERGY: 3958600 3960.1215 20419.3022 14423.0163 229.8206 -203208.2086 2646.8849 0.0000 0.0000 52015.9089 -109513.1543 298.9361 -161529.0632 -109156.1895 299.1149 116.0953 143.0636 762732.7189 -10.9929 -10.8530 PRESSURE: 3958800 -73.5358 152.912 -81.4237 152.911 65.2442 -156.716 -81.4239 -156.717 154.564 GPRESSURE: 3958800 -145.994 206.135 -85.5638 163.83 211.312 -79.8963 33.0196 -122.649 168.914 PRESSAVG: 3958800 -22.9803 31.462 -100.511 31.462 51.6766 -16.1457 -100.511 -16.1458 -10.4166 GPRESSAVG: 3958800 -23.3847 32.5957 -101.56 31.8329 52.9507 -15.6998 -99.0111 -18.3511 -11.3203 TIMING: 3958800 CPU: 12573.1, 0.00314084/step Wall: 12573.1, 0.00314084/step, 0.908401 hours remaining, 239.179688 MB of memory in use. ENERGY: 3958800 3996.2755 20557.6502 14402.7320 251.7177 -203951.4434 3021.1219 0.0000 0.0000 52063.7999 -109658.1464 299.2114 -161721.9463 -109295.6369 299.0392 48.7573 78.0777 761757.9691 6.0932 6.0819 PRESSURE: 3959000 18.025 -232.935 38.844 -232.936 -451.886 -130.976 38.8453 -130.977 -472.525 GPRESSURE: 3959000 36.2013 -223.971 49.467 -189.841 -350.83 -66.8555 -1.07202 -190.707 -520.729 PRESSAVG: 3959000 13.9527 -28.2279 -79.2368 -28.228 -48.1354 -11.1735 -79.2368 -11.1735 -14.0562 GPRESSAVG: 3959000 13.814 -30.3194 -78.3718 -28.6519 -48.1741 -11.4888 -80.7758 -11.0208 -13.9538 TIMING: 3959000 CPU: 12573.7, 0.00314906/step Wall: 12573.7, 0.00314906/step, 0.910603 hours remaining, 239.179688 MB of memory in use. ENERGY: 3959000 4034.6106 20405.9665 14402.3377 244.6636 -203284.2677 2320.0429 0.0000 0.0000 52091.8785 -109784.7680 299.3727 -161876.6465 -109426.9328 298.6448 -302.1285 -278.4528 761712.8956 -16.0796 -16.1046 PRESSURE: 3959200 45.8246 -26.8249 -39.5576 -26.8251 -187.521 -82.6679 -39.5585 -82.6678 99.3371 GPRESSURE: 3959200 -27.1976 -94.591 -25.1441 -2.42753 -120.479 -56.0479 -111.958 -27.0681 192.163 PRESSAVG: 3959200 10.539 29.7326 -13.1384 29.7325 8.77771 -21.6625 -13.1384 -21.6625 -2.42871 GPRESSAVG: 3959200 10.0668 29.6405 -13.2967 30.7452 9.4473 -21.8829 -14.535 -21.1984 -2.57442 TIMING: 3959200 CPU: 12574.3, 0.0031459/step Wall: 12574.3, 0.0031459/step, 0.909514 hours remaining, 239.179688 MB of memory in use. ENERGY: 3959200 4003.3624 20436.1759 14434.5481 236.5477 -203258.7091 2574.5248 0.0000 0.0000 51893.7168 -109679.8334 298.2339 -161573.5502 -109325.3669 298.7351 -14.1197 14.8290 761713.7576 5.6293 5.6465 PRESSURE: 3959400 370.781 -201.358 -121.756 -201.358 48.8302 -116.757 -121.757 -116.758 314.087 GPRESSURE: 3959400 371.274 -121.145 -103.66 -80.5057 109.094 -152.947 1.29244 -15.0958 363.397 PRESSAVG: 3959400 -33.0371 0.714284 14.039 0.714266 22.9652 30.9239 14.039 30.9239 -6.72795 GPRESSAVG: 3959400 -33.0404 1.10138 15.551 1.6626 22.5608 31.3615 14.5681 32.0528 -6.01747 TIMING: 3959400 CPU: 12574.9, 0.00315982/step Wall: 12574.9, 0.00315982/step, 0.913363 hours remaining, 239.179688 MB of memory in use. ENERGY: 3959400 3887.7939 20626.9177 14481.5002 243.1015 -203826.2075 3052.8157 0.0000 0.0000 51789.6249 -109744.4536 297.6357 -161534.0785 -109380.9466 299.2892 244.5662 281.2550 763038.5702 -5.6000 -5.4990 PRESSURE: 3959600 -9.77721 -12.4794 -17.7843 -12.4791 274.078 314.231 -17.7844 314.231 -347.729 GPRESSURE: 3959600 19.787 11.0835 84.9395 42.403 289.203 354.939 -96.6586 126.638 -306.358 PRESSAVG: 3959600 -19.4741 0.350609 13.8312 0.350672 0.243012 40.8422 13.8312 40.8421 2.4209 GPRESSAVG: 3959600 -19.5079 0.0618095 15.0118 -0.131379 0.920897 41.1722 12.1243 39.4742 0.794494 TIMING: 3959600 CPU: 12575.6, 0.00315043/step Wall: 12575.6, 0.00315043/step, 0.910475 hours remaining, 239.179688 MB of memory in use. ENERGY: 3959600 3945.7133 20181.0250 14495.6750 282.8591 -203723.2313 2890.9801 0.0000 0.0000 52251.7570 -109675.2216 300.2916 -161926.9787 -109300.1392 298.8615 -27.8093 0.8775 761259.7496 -5.6034 -5.9308 PRESSURE: 3959800 -547.318 230.06 306.326 230.061 115.617 105.689 306.326 105.691 59.5748 GPRESSURE: 3959800 -395.755 333.448 408.425 46.1324 70.9391 177.724 271.937 17.6875 37.6369 PRESSAVG: 3959800 51.7546 41.2745 -23.3182 41.2745 -13.2321 3.68268 -23.3182 3.68269 23.8202 GPRESSAVG: 3959800 53.1439 43.39 -25.6576 37.8519 -15.2045 3.95683 -21.5233 4.47802 24.2227 TIMING: 3959800 CPU: 12576.2, 0.00315194/step Wall: 12576.2, 0.00315194/step, 0.910734 hours remaining, 239.179688 MB of memory in use. ENERGY: 3959800 3993.1609 20636.5741 14497.3869 259.5525 -203388.9770 2565.4953 0.0000 0.0000 51820.7411 -109616.0662 297.8145 -161436.8073 -109258.4714 299.2143 -124.0418 -95.7263 761309.3344 20.7809 20.7207 PRESSURE: 3960000 -247.827 -120.312 -255.255 -120.312 -111.697 76.2839 -255.255 76.2851 -228.979 GPRESSURE: 3960000 -124.576 -47.2334 -256.577 -61.0779 -156.211 70.4015 -130.195 93.3229 -227.201 PRESSAVG: 3960000 39.2892 23.665 -28.002 23.665 -31.4923 -30.0423 -28.002 -30.0422 6.38073 GPRESSAVG: 3960000 38.8123 19.5263 -27.4994 24.7713 -30.4651 -31.5669 -27.3891 -31.1134 5.95614 TIMING: 3960000 CPU: 12576.8, 0.00315317/step Wall: 12576.8, 0.00315317/step, 0.910916 hours remaining, 239.179688 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: 3960000 4026.8088 20325.2936 14427.5797 241.2274 -203350.4353 2584.8189 0.0000 0.0000 52106.6584 -109638.0485 299.4577 -161744.7069 -109265.4899 299.1279 -196.1674 -169.3294 762396.9676 4.7259 4.7678 PRESSURE: 3960200 -14.1037 -16.8476 -105.381 -16.8484 31.4146 -205.585 -105.381 -205.586 347.644 GPRESSURE: 3960200 -63.8588 -16.8608 -12.3078 -39.6666 152.368 -189.739 -178.876 -87.494 357.113 PRESSAVG: 3960200 46.6849 -11.0719 -2.66768 -11.0718 -32.1668 -5.02706 -2.66775 -5.02712 -21.9462 GPRESSAVG: 3960200 44.9604 -9.3789 -2.25342 -12.4412 -31.6088 -4.10833 -1.72276 -4.57426 -20.9656 TIMING: 3960200 CPU: 12577.5, 0.00315411/step Wall: 12577.5, 0.00315411/step, 0.911011 hours remaining, 239.179688 MB of memory in use. ENERGY: 3960200 3883.2058 20546.4877 14421.3840 237.0001 -203350.8448 2530.8298 0.0000 0.0000 52134.7784 -109597.1590 299.6193 -161731.9374 -109241.2996 298.8325 121.6518 148.5409 760360.2886 -2.4760 -2.5380 LDB: ============= START OF LOAD BALANCING ============== 12589.9 LDB: ============== END OF LOAD BALANCING =============== 12589.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12589.9 LDB: ============= START OF LOAD BALANCING ============== 12590.2 LDB: Largest compute 7075 load 0.034678 is 17.7% of average load 0.195431 LDB: Average compute 0.004378 is 2.2% of average load 0.195431 LDB: TIME 12590.2 LOAD: AVG 0.195431 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.691 MB LDB: TIME 12590.2 LOAD: AVG 0.195431 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: TIME 12590.2 LOAD: AVG 0.195431 MAX 0.214885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.691 MB LDB: ============== END OF LOAD BALANCING =============== 12590.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12590.2 PRESSURE: 3960400 13.5083 -59.332 114.964 -59.3315 -23.8122 103.302 114.965 103.302 -26.2015 GPRESSURE: 3960400 41.3116 71.2606 174.995 -85.7582 25.0284 52.2676 132.657 67.8399 -38.6268 PRESSAVG: 3960400 60.9672 19.9967 -22.4991 19.9966 -2.76534 58.3984 -22.4991 58.3984 20.8151 GPRESSAVG: 3960400 61.6049 23.4488 -24.3935 21.1308 -2.27586 58.3539 -22.5429 59.778 19.4156 TIMING: 3960400 CPU: 12578.1, 0.00321355/step Wall: 12578.1, 0.00321355/step, 0.928002 hours remaining, 240.925781 MB of memory in use. ENERGY: 3960400 3980.6508 20423.8968 14453.0009 246.4743 -203479.6026 2758.8371 0.0000 0.0000 51880.1156 -109736.6272 298.1557 -161616.7428 -109381.3464 299.2004 -12.1685 9.2377 761388.6591 26.3390 26.2482 PRESSURE: 3960600 -26.2999 -39.81 39.7724 -39.8103 170.474 208.355 39.774 208.354 367.873 GPRESSURE: 3960600 62.0351 -54.9227 55.2129 22.3544 122.217 92.7803 -106.319 253.684 427.234 PRESSAVG: 3960600 -17.6221 7.62331 -51.5562 7.62336 11.9876 17.181 -51.5563 17.181 -13.3328 GPRESSAVG: 3960600 -16.412 4.71934 -48.6956 7.99144 10.9111 17.8945 -53.7586 17.5701 -12.8192 TIMING: 3960600 CPU: 12578.7, 0.003149/step Wall: 12578.7, 0.003149/step, 0.909187 hours remaining, 240.925781 MB of memory in use. ENERGY: 3960600 3989.0832 20592.9134 14441.9559 249.2770 -203720.2588 2785.0929 0.0000 0.0000 51882.1306 -109779.8058 298.1673 -161661.9364 -109418.4254 299.2173 170.6824 203.8287 760250.9345 -6.3224 -6.1067 PRESSURE: 3960800 -439.373 -57.8227 -165.46 -57.8231 284.223 -10.0183 -165.461 -10.0188 24.9388 GPRESSURE: 3960800 -396.875 -194.927 -102.636 -218.252 355.372 36.2403 -189.638 83.1948 -6.22251 PRESSAVG: 3960800 -5.63253 -26.6902 -59.3514 -26.6901 29.417 44.3379 -59.3514 44.338 31.6876 GPRESSAVG: 3960800 -6.36382 -29.5585 -59.2853 -26.0708 30.7184 44.0256 -57.3286 41.9497 31.4356 TIMING: 3960800 CPU: 12579.4, 0.00314475/step Wall: 12579.4, 0.00314475/step, 0.907785 hours remaining, 240.925781 MB of memory in use. ENERGY: 3960800 3974.0836 20275.2109 14461.5517 266.0910 -203282.1640 2477.2223 0.0000 0.0000 51817.7078 -110010.2967 297.7971 -161828.0045 -109647.6221 298.8635 -43.4037 -15.9088 761277.9528 18.4907 18.5967 PRESSURE: 3961000 -34.3293 -46.5686 -359.954 -46.5688 -43.4173 -134.454 -359.954 -134.453 289.53 GPRESSURE: 3961000 57.9811 80.5029 -306.693 -117.885 -21.0138 -102.221 -325.545 -241.923 249.865 PRESSAVG: 3961000 50.2148 12.623 -83.1002 12.623 -27.1761 17.5269 -83.1002 17.5269 3.46932 GPRESSAVG: 3961000 49.4399 15.9897 -85.4276 12.2005 -27.8595 16.5542 -84.9752 17.7723 4.31911 TIMING: 3961000 CPU: 12580, 0.00314818/step Wall: 12580, 0.00314818/step, 0.908599 hours remaining, 240.925781 MB of memory in use. ENERGY: 3961000 3904.6689 20576.9944 14478.1994 240.4776 -203717.3298 2750.1700 0.0000 0.0000 51751.5683 -110015.2511 297.4170 -161766.8194 -109661.4800 298.1381 70.5944 95.6106 759985.1670 8.8360 8.6332 PRESSURE: 3961200 -338.238 -37.5628 -88.078 -37.5635 -239.549 -123.413 -88.0778 -123.413 -212.396 GPRESSURE: 3961200 -176.201 -56.2867 -115.411 33.37 -300.907 -131.182 -59.8113 -39.5862 -226.684 PRESSAVG: 3961200 29.7774 -32.1227 -28.2737 -32.1228 -43.9433 -11.3982 -28.2737 -11.3983 10.226 GPRESSAVG: 3961200 28.8016 -29.8964 -26.1799 -33.9844 -43.7676 -10.4667 -27.4268 -10.9142 10.4572 TIMING: 3961200 CPU: 12580.6, 0.00314386/step Wall: 12580.6, 0.00314386/step, 0.907179 hours remaining, 240.925781 MB of memory in use. ENERGY: 3961200 4054.7875 20427.7768 14396.1883 233.2413 -203795.4933 2568.1629 0.0000 0.0000 52042.3837 -110072.9527 299.0883 -162115.3365 -109710.4090 298.4923 -263.3942 -234.5972 761018.2973 -1.3133 -1.5029 PRESSURE: 3961400 -50.5967 212.902 145.187 212.901 -246.709 53.4009 145.186 53.3998 -279.637 GPRESSURE: 3961400 -72.3552 292.925 158.579 220.06 -157.876 79.1452 108.652 -37.4704 -240.931 PRESSAVG: 3961400 -18.3572 -40.1117 -45.0487 -40.1118 -6.25088 42.6113 -45.0487 42.6113 -5.55928 GPRESSAVG: 3961400 -17.0268 -41.7309 -46.5017 -39.9109 -6.79323 41.4606 -43.692 44.4953 -5.88744 TIMING: 3961400 CPU: 12581.3, 0.00314161/step Wall: 12581.3, 0.00314161/step, 0.906353 hours remaining, 240.925781 MB of memory in use. ENERGY: 3961400 4061.5380 20383.2557 14391.4371 243.3332 -203320.2713 2331.1448 0.0000 0.0000 51790.2059 -110119.3565 297.6390 -161909.5625 -109765.7588 298.3493 -192.3143 -157.0540 760816.5939 -10.0558 -9.9025 PRESSURE: 3961600 52.1885 31.4998 243.193 31.4999 -152.661 -84.6956 243.193 -84.6949 -442.455 GPRESSURE: 3961600 83.7575 54.0765 302.886 216.38 -129.389 -46.7594 247.45 21.3054 -408.306 PRESSAVG: 3961600 -9.27716 21.9958 14.0099 21.9958 -10.4562 20.7329 14.0099 20.733 17.107 GPRESSAVG: 3961600 -9.71865 21.4579 14.3172 24.0277 -9.26919 23.119 12.7126 18.102 17.5046 TIMING: 3961600 CPU: 12581.9, 0.00314278/step Wall: 12581.9, 0.00314278/step, 0.906518 hours remaining, 240.925781 MB of memory in use. ENERGY: 3961600 4042.4048 20589.6372 14359.9470 252.2488 -203563.5070 2567.1965 0.0000 0.0000 51793.9282 -109958.1444 297.6604 -161752.0726 -109597.4265 298.2084 -180.9756 -151.3125 761320.2297 -0.8755 -0.4944 PRESSURE: 3961800 -114.89 44.4139 68.6007 44.414 107.36 -8.37175 68.601 -8.37173 -74.06 GPRESSURE: 3961800 -97.8403 -30.7187 27.3885 -8.1719 104.965 -68.7022 118.953 -130.225 -7.27475 PRESSAVG: 3961800 -21.6121 -45.5384 -12.4755 -45.5384 7.0864 -14.71 -12.4756 -14.71 2.2779 GPRESSAVG: 3961800 -20.726 -49.2886 -13.9259 -44.3808 7.47656 -15.6727 -12.2838 -16.833 1.2215 TIMING: 3961800 CPU: 12582.5, 0.00316452/step Wall: 12582.5, 0.00316452/step, 0.912612 hours remaining, 240.925781 MB of memory in use. ENERGY: 3961800 3997.8100 20478.2551 14454.1222 248.9894 -203084.4667 2108.4133 0.0000 0.0000 51917.5232 -109879.3535 298.3707 -161796.8767 -109527.1318 298.4667 -27.1967 -0.0500 760982.7390 -4.0826 -4.0093 PRESSURE: 3962000 68.5024 91.2553 100.807 91.2548 -55.1505 61.3366 100.807 61.3359 33.314 GPRESSURE: 3962000 190.175 96.9092 73.8465 65.7666 -57.9564 210.814 113.102 52.8976 13.2299 PRESSAVG: 3962000 34.3763 -5.84181 6.44319 -5.84179 14.2585 -34.6563 6.44319 -34.6563 -7.31269 GPRESSAVG: 3962000 33.7624 -3.24311 6.55747 -6.2603 13.3124 -35.2076 6.10135 -31.8205 -6.24535 TIMING: 3962000 CPU: 12583.1, 0.00314616/step Wall: 12583.1, 0.00314616/step, 0.907142 hours remaining, 240.925781 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: 3962000 4074.2835 20365.9198 14411.9094 243.0331 -203909.7933 2766.9063 0.0000 0.0000 51958.4628 -110089.2785 298.6060 -162047.7413 -109720.2974 298.3354 15.5553 48.4828 760543.0320 13.7740 13.6098 PRESSURE: 3962200 132.99 -101.332 -199.628 -101.333 339.843 79.7826 -199.628 79.783 262.201 GPRESSURE: 3962200 244.287 -53.7539 -244.986 13.3844 310.766 67.1148 -213.107 89.4194 271.794 PRESSAVG: 3962200 -1.38212 -29.6539 81.7754 -29.6539 0.524771 28.3508 81.7754 28.3508 -20.7892 GPRESSAVG: 3962200 -1.58424 -28.1281 82.9774 -30.1239 -0.141121 27.7606 82.7354 27.502 -19.7852 TIMING: 3962200 CPU: 12583.8, 0.00314749/step Wall: 12583.8, 0.00314749/step, 0.907352 hours remaining, 240.925781 MB of memory in use. ENERGY: 3962200 3924.4808 20594.2687 14382.1488 239.3781 -203543.8766 2576.7186 0.0000 0.0000 51994.3916 -109832.4899 298.8125 -161826.8816 -109461.1194 298.5631 245.0117 275.6156 761632.5272 -7.2155 -7.1702 PRESSURE: 3962400 127.042 75.8774 -177.961 75.8781 -6.68686 434.37 -177.961 434.37 -306.649 GPRESSURE: 3962400 142.233 83.4745 -169.139 -62.3841 145.494 301.492 -215.12 414.849 -397.695 PRESSAVG: 3962400 -30.6722 16.166 30.3238 16.166 44.8386 -20.0358 30.3238 -20.0359 -4.44137 GPRESSAVG: 3962400 -30.4488 17.1813 28.381 15.6643 45.6338 -20.4039 31.4403 -17.9364 -6.04857 TIMING: 3962400 CPU: 12584.4, 0.00315215/step Wall: 12584.4, 0.00315215/step, 0.908519 hours remaining, 240.925781 MB of memory in use. ENERGY: 3962400 3944.9862 20424.7312 14454.7889 272.1849 -203611.2211 2655.3491 0.0000 0.0000 52128.1238 -109731.0571 299.5810 -161859.1809 -109357.8434 298.6905 -62.0979 -36.6560 761787.4220 3.2417 3.0455 PRESSURE: 3962600 -283.176 -14.6529 -21.8501 -14.6522 -58.3476 71.9716 -21.8499 71.9714 192.762 GPRESSURE: 3962600 -200.09 -1.00229 -63.7626 20.6273 -42.347 44.9173 -56.2073 -7.06357 181.874 PRESSAVG: 3962600 -47.2165 -18.0371 27.8526 -18.0372 42.555 63.4678 27.8526 63.4679 0.170096 GPRESSAVG: 3962600 -48.2143 -18.1558 29.7927 -18.8481 42.4592 62.9157 26.5646 62.1574 0.714274 TIMING: 3962600 CPU: 12585, 0.00315608/step Wall: 12585, 0.00315608/step, 0.909478 hours remaining, 240.925781 MB of memory in use. ENERGY: 3962600 3980.6679 20632.5909 14395.1105 248.6178 -203075.4991 2164.7170 0.0000 0.0000 51939.9725 -109713.8225 298.4997 -161653.7950 -109359.5599 298.6334 -49.5872 -20.1876 761671.1623 -1.4971 -1.6803 PRESSURE: 3962800 214.792 93.0555 -77.5125 93.0555 107.977 -15.8526 -77.5124 -15.8526 140.687 GPRESSURE: 3962800 237.636 23.5423 -120.925 9.74893 133.858 10.3896 -31.0179 -121.027 168.841 PRESSAVG: 3962800 -23.7497 17.6978 13.0138 17.6978 17.2117 17.1519 13.0138 17.152 -7.15088 GPRESSAVG: 3962800 -22.3278 16.5733 10.7459 18.7636 15.9833 18.5337 13.3972 16.1637 -7.66178 TIMING: 3962800 CPU: 12585.7, 0.00314051/step Wall: 12585.7, 0.00314051/step, 0.904816 hours remaining, 240.925781 MB of memory in use. ENERGY: 3962800 3939.8014 20356.0076 14440.2121 222.3687 -203513.9124 2590.2140 0.0000 0.0000 52016.5513 -109948.7574 298.9398 -161965.3087 -109584.1936 298.8936 154.4852 180.1116 760267.2818 -4.5629 -4.6688 PRESSURE: 3963000 -72.5881 -199.424 184.771 -199.424 34.4063 -18.8876 184.771 -18.887 80.8936 GPRESSURE: 3963000 -26.1621 -293.098 278.328 -122.789 62.7565 30.1475 40.6157 -18.5537 99.1623 PRESSAVG: 3963000 -34.9346 1.58885 -20.9158 1.58889 45.2581 15.8867 -20.9158 15.8866 11.2445 GPRESSAVG: 3963000 -35.5097 2.58974 -19.266 1.86996 46.575 14.8717 -21.6571 17.6846 11.18 TIMING: 3963000 CPU: 12586.3, 0.00315788/step Wall: 12586.3, 0.00315788/step, 0.909644 hours remaining, 240.925781 MB of memory in use. ENERGY: 3963000 3865.0255 20353.7301 14334.9243 257.3731 -203719.6714 2971.4116 0.0000 0.0000 52003.0854 -109934.1212 298.8624 -161937.2067 -109562.0164 298.0569 14.2372 45.2522 760862.8583 7.1893 7.4151 PRESSURE: 3963200 213.025 -114.885 -58.667 -114.884 86.3871 6.23599 -58.6668 6.23409 -240.928 GPRESSURE: 3963200 234.96 12.6983 -55.055 -60.6613 124.738 0.312723 40.9808 49.3278 -206.356 PRESSAVG: 3963200 -46.2318 -3.87475 37.7721 -3.87482 18.1564 -26.2299 37.7722 -26.2299 3.90612 GPRESSAVG: 3963200 -46.8165 -3.08352 37.2989 -4.24244 17.3737 -25.5365 39.5499 -27.8607 5.09933 TIMING: 3963200 CPU: 12586.9, 0.00315544/step Wall: 12586.9, 0.00315544/step, 0.908768 hours remaining, 240.925781 MB of memory in use. ENERGY: 3963200 4011.8300 20447.0242 14451.3319 254.5448 -203501.7059 2692.1032 0.0000 0.0000 51775.5441 -109869.3277 297.5548 -161644.8717 -109509.5675 297.8619 19.4946 51.1142 761979.8209 -8.0564 -8.1145 PRESSURE: 3963400 145.459 -266.358 14.3659 -266.357 -309.43 -108.215 14.3662 -108.215 121.515 GPRESSURE: 3963400 189.872 -149.195 -54.9888 -274.094 -160.058 -172.04 -76.2962 -3.16783 9.36048 PRESSAVG: 3963400 -25.0922 -18.8958 0.302027 -18.8958 37.0567 42.4398 0.302031 42.4398 1.09397 GPRESSAVG: 3963400 -24.2302 -20.9932 1.71715 -18.4465 38.7694 41.366 -1.44198 44.5078 -1.15671 TIMING: 3963400 CPU: 12587.6, 0.00314907/step Wall: 12587.6, 0.00314907/step, 0.906757 hours remaining, 240.925781 MB of memory in use. ENERGY: 3963400 3963.4211 20402.4629 14434.5675 228.7747 -203566.4231 2379.5753 0.0000 0.0000 52036.4763 -110121.1452 299.0543 -162157.6215 -109751.5460 297.9896 -14.1519 13.0582 759101.6342 4.3528 4.4608 PRESSURE: 3963600 -5.29056 15.7205 -76.8322 15.7206 -46.8548 39.8363 -76.833 39.8361 617.685 GPRESSURE: 3963600 154.746 -20.4965 -40.3654 23.7274 9.80505 38.7071 -61.5447 34.127 483.729 PRESSAVG: 3963600 -32.0368 1.62886 15.5657 1.62888 29.1652 11.9096 15.5657 11.9095 7.52435 GPRESSAVG: 3963600 -31.3226 1.75311 13.6607 1.2614 27.0702 11.3834 14.8939 11.3833 8.7278 TIMING: 3963600 CPU: 12588.2, 0.00314235/step Wall: 12588.2, 0.00314235/step, 0.904646 hours remaining, 240.925781 MB of memory in use. ENERGY: 3963600 3941.7222 20402.7185 14434.2524 240.1452 -203729.0936 2783.9582 0.0000 0.0000 51884.7509 -110041.5460 298.1824 -161926.2969 -109677.9580 297.9962 188.5133 216.0931 760336.7761 1.5509 1.4918 PRESSURE: 3963800 31.2196 41.3861 125.733 41.3856 347.53 135.936 125.732 135.937 98.9541 GPRESSURE: 3963800 210.147 -40.7603 109.851 72.1322 265.429 101.763 -26.0562 140.643 72.1269 PRESSAVG: 3963800 -59.2045 -9.82158 -42.4335 -9.8216 63.9591 -26.5574 -42.4335 -26.5574 18.156 GPRESSAVG: 3963800 -60.9534 -10.0623 -41.6715 -8.50047 64.252 -25.1903 -40.4265 -27.6444 19.0907 TIMING: 3963800 CPU: 12588.8, 0.00318706/step Wall: 12588.8, 0.00318706/step, 0.917341 hours remaining, 240.925781 MB of memory in use. ENERGY: 3963800 3962.4846 20524.2770 14395.8619 249.2137 -203777.9713 2804.9392 0.0000 0.0000 51770.8830 -110070.3120 297.5280 -161841.1949 -109709.6553 298.0667 159.2344 182.5678 758944.5493 7.6369 7.4631 PRESSURE: 3964000 162.041 199.197 299.835 199.197 89.1196 -288.947 299.836 -288.947 -94.1948 GPRESSURE: 3964000 166.65 203.889 285.052 120.514 138.263 -248.856 297.817 -235.143 -76.7133 PRESSAVG: 3964000 -43.0074 -7.30318 23.9106 -7.30323 60.5821 -41.8713 23.9107 -41.8713 -15.6039 GPRESSAVG: 3964000 -41.8913 -8.32707 23.1454 -8.24578 59.4742 -40.8534 22.5959 -42.9562 -15.9895 TIMING: 3964000 CPU: 12589.4, 0.00313997/step Wall: 12589.4, 0.00313996/step, 0.903612 hours remaining, 240.925781 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: 3964000 3978.9042 20424.7530 14485.6623 238.6380 -203464.1665 2243.8707 0.0000 0.0000 52286.1815 -109806.1570 300.4894 -162092.3385 -109437.1913 298.5671 52.3221 76.0664 760455.8324 0.6570 0.5311 PRESSURE: 3964200 45.5394 150.316 -101.377 150.317 -202.396 115.33 -101.377 115.329 -347.841 GPRESSURE: 3964200 -20.86 83.6244 -119.952 250.922 -113.703 190.316 -33.0397 -38.1168 -289.126 PRESSAVG: 3964200 -5.35302 44.9625 47.8666 44.9626 30.6335 4.83218 47.8665 4.83216 16.1334 GPRESSAVG: 3964200 -6.27571 45.9753 49.1717 45.3737 31.9343 3.30859 45.4021 5.01465 15.6363 TIMING: 3964200 CPU: 12590.1, 0.00312807/step Wall: 12590.1, 0.00312807/step, 0.900016 hours remaining, 240.925781 MB of memory in use. ENERGY: 3964200 4024.2213 20501.8982 14444.2398 266.1454 -203476.6674 2385.9101 0.0000 0.0000 52005.7164 -109848.5362 298.8776 -161854.2526 -109486.9711 298.6831 -168.2328 -141.2296 760559.2043 13.8046 13.7649 LDB: ============= START OF LOAD BALANCING ============== 12602.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12602.5 LDB: =============== DONE WITH MIGRATION ================ 12602.5 LDB: ============= START OF LOAD BALANCING ============== 12602.8 LDB: Largest compute 7048 load 0.033720 is 17.2% of average load 0.195516 LDB: Average compute 0.004358 is 2.2% of average load 0.195516 LDB: TIME 12602.8 LOAD: AVG 0.195516 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 12602.8 LOAD: AVG 0.195516 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: TIME 12602.8 LOAD: AVG 0.195516 MAX 0.215071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.156 MB LDB: ============== END OF LOAD BALANCING =============== 12602.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12602.8 PRESSURE: 3964400 -97.6639 -137.012 277.978 -137.012 -503.16 -51.6565 277.978 -51.6564 -3.90351 GPRESSURE: 3964400 -131.448 -107.713 250.949 -120.226 -354.072 -17.9358 149.183 78.7181 -16.6113 PRESSAVG: 3964400 -6.85808 3.85126 40.8946 3.85126 28.6797 -10.412 40.8946 -10.412 10.426 GPRESSAVG: 3964400 -6.78745 3.50333 40.5198 1.77656 29.0696 -9.30794 45.1422 -10.3137 9.83115 TIMING: 3964400 CPU: 12590.7, 0.00319163/step Wall: 12590.7, 0.00319163/step, 0.918125 hours remaining, 240.296875 MB of memory in use. ENERGY: 3964400 3999.4247 20584.4830 14444.4809 260.4387 -203453.8101 2416.5508 0.0000 0.0000 51871.2150 -109877.2169 298.1046 -161748.4319 -109526.2812 298.6505 -201.5758 -167.3770 759734.8114 10.7492 10.7044 PRESSURE: 3964600 -120.569 204.376 80.824 204.375 -130.31 -55.3394 80.824 -55.3387 -66.7999 GPRESSURE: 3964600 -107.214 144.242 173.62 98.7396 -101.807 33.1141 27.7796 -88.8478 -30.9608 PRESSAVG: 3964600 -0.57446 -22.8962 30.8056 -22.8962 28.375 24.7285 30.8056 24.7284 0.352293 GPRESSAVG: 3964600 0.640033 -23.2016 31.7432 -22.1216 26.8602 23.9593 28.1119 25.7023 1.23423 TIMING: 3964600 CPU: 12591.3, 0.00312845/step Wall: 12591.3, 0.00312845/step, 0.899776 hours remaining, 240.296875 MB of memory in use. ENERGY: 3964600 4009.0120 20478.3294 14452.6138 241.2229 -203526.1996 2524.5720 0.0000 0.0000 51998.3296 -109822.1200 298.8351 -161820.4496 -109465.5065 299.0510 -105.8931 -79.9938 759646.4676 9.3843 9.5782 PRESSURE: 3964800 -173.595 118.369 40.074 118.369 317.399 18.9599 40.074 18.9604 -135.272 GPRESSURE: 3964800 -190.315 49.3768 41.3138 62.2946 296.741 72.7783 64.8132 -39.414 -29.4284 PRESSAVG: 3964800 -83.3944 4.20646 -2.10636 4.20641 32.7089 -31.6271 -2.10625 -31.6272 -2.70578 GPRESSAVG: 3964800 -84.1917 7.35919 -3.60005 1.56407 32.6551 -30.6669 -1.13697 -31.8683 -2.17841 TIMING: 3964800 CPU: 12592, 0.00313095/step Wall: 12592, 0.00313095/step, 0.900321 hours remaining, 240.296875 MB of memory in use. ENERGY: 3964800 3954.9973 20608.2308 14413.0805 252.1988 -203613.0321 2654.1209 0.0000 0.0000 51933.9497 -109796.4542 298.4651 -161730.4039 -109444.3944 298.7542 2.8439 25.6659 760640.6699 -17.7971 -17.9050 PRESSURE: 3965000 -350.323 46.1181 -190.783 46.118 235.179 21.9716 -190.784 21.9714 292.892 GPRESSURE: 3965000 -227.408 13.0483 -249.437 62.5896 230.746 27.3621 -134.014 -125.696 250.843 PRESSAVG: 3965000 -45.9345 9.37764 -26.755 9.37763 76.9597 23.8408 -26.755 23.8407 -9.0057 GPRESSAVG: 3965000 -46.3767 8.40573 -27.5909 12.3459 77.7546 23.9911 -26.4784 24.314 -9.48056 TIMING: 3965000 CPU: 12592.6, 0.0031285/step Wall: 12592.6, 0.0031285/step, 0.899443 hours remaining, 240.296875 MB of memory in use. ENERGY: 3965000 3980.5670 20597.2742 14482.3884 249.7320 -203517.5223 2566.1996 0.0000 0.0000 51948.3551 -109693.0059 298.5479 -161641.3611 -109333.5609 299.3752 59.2489 84.7269 759925.9131 7.3398 7.2991 PRESSURE: 3965200 97.7614 111.968 -95.4117 111.967 -311.701 131.093 -95.4123 131.093 -473.092 GPRESSURE: 3965200 26.9593 168.304 -164.866 -60.3621 -146.813 75.6124 -139.82 168.801 -474.237 PRESSAVG: 3965200 -32.3905 47.2991 -27.3432 47.2991 43.8198 -7.35849 -27.3432 -7.35847 -23.3805 GPRESSAVG: 3965200 -32.136 46.7621 -26.6976 45.3245 44.2954 -8.79564 -28.6945 -7.34363 -23.8736 TIMING: 3965200 CPU: 12593.2, 0.00312823/step Wall: 12593.2, 0.00312823/step, 0.899194 hours remaining, 240.296875 MB of memory in use. ENERGY: 3965200 4022.2647 20583.1454 14418.3860 264.7342 -203349.4287 2439.7552 0.0000 0.0000 51924.6989 -109696.4443 298.4120 -161621.1432 -109338.6903 298.8457 -229.0106 -198.0302 759693.0954 -3.9837 -3.9048 PRESSURE: 3965400 25.8975 -47.3859 60.2776 -47.3861 174.462 162.506 60.2779 162.505 -179.134 GPRESSURE: 3965400 53.2321 -2.68721 161.153 -52.5743 251.384 163.089 11.5212 123.864 -200.506 PRESSAVG: 3965400 -39.362 50.5402 -16.4904 50.5402 31.003 -24.1016 -16.4904 -24.1016 6.52645 GPRESSAVG: 3965400 -38.9702 48.5361 -16.2112 53.6732 29.5071 -25.0124 -17.3106 -24.3191 7.66393 TIMING: 3965400 CPU: 12593.8, 0.00315136/step Wall: 12593.8, 0.00315136/step, 0.905666 hours remaining, 240.296875 MB of memory in use. ENERGY: 3965400 3989.6748 20363.7980 14391.9853 241.6775 -203477.3722 2747.5659 0.0000 0.0000 52085.4442 -109657.2265 299.3358 -161742.6707 -109284.4931 298.7754 7.0751 34.7032 760945.2871 -0.6108 -0.5997 PRESSURE: 3965600 -171.437 -37.5677 -126.902 -37.5677 -137.342 -129.72 -126.902 -129.721 -394.531 GPRESSURE: 3965600 -171.671 -27.7833 -76.6365 -21.2415 -32.7999 -55.899 -164.622 -179.061 -425.532 PRESSAVG: 3965600 -62.3253 72.0982 38.2024 72.0981 31.6787 -17.9277 38.2024 -17.9277 -5.81457 GPRESSAVG: 3965600 -61.8871 74.9278 38.9276 70.2763 32.7657 -16.932 38.645 -17.0676 -6.76602 TIMING: 3965600 CPU: 12594.5, 0.00314516/step Wall: 12594.5, 0.00314516/step, 0.90371 hours remaining, 240.296875 MB of memory in use. ENERGY: 3965600 4092.6737 20586.2411 14470.5621 249.8639 -203221.2011 2522.6915 0.0000 0.0000 51955.0385 -109344.1304 298.5863 -161299.1688 -108980.1495 298.8787 -234.4371 -210.0009 762074.3992 -12.1537 -11.9625 PRESSURE: 3965800 -636.441 87.6782 -48.6269 87.6792 -238.961 76.8817 -48.6271 76.8807 -204.566 GPRESSURE: 3965800 -540.325 82.0472 -66.1285 23.626 -298.709 56.8285 -92.1196 16.7758 -164.537 PRESSAVG: 3965800 -10.2153 13.7981 -63.227 13.7981 9.91205 -17.9649 -63.227 -17.9648 -32.3583 GPRESSAVG: 3965800 -10.6851 12.7239 -63.3713 12.6864 8.88236 -17.2245 -62.3295 -19.7951 -30.7553 TIMING: 3965800 CPU: 12595.1, 0.00315178/step Wall: 12595.1, 0.00315178/step, 0.905436 hours remaining, 240.296875 MB of memory in use. ENERGY: 3965800 4034.1064 20545.6964 14439.0765 266.8264 -203154.9633 2301.3618 0.0000 0.0000 52181.5622 -109386.3337 299.8882 -161567.8959 -109021.2294 299.9018 -359.9890 -334.5236 762036.6195 -10.8872 -10.8527 PRESSURE: 3966000 -56.2928 -0.878327 -119.972 -0.878117 -74.2009 192.075 -119.973 192.075 118.89 GPRESSURE: 3966000 -24.2059 20.7852 -55.1377 -196.843 28.9725 172.715 -43.1256 163.583 77.2916 PRESSAVG: 3966000 -2.32498 -9.3475 -51.6762 -9.34748 -1.30145 -32.4594 -51.6762 -32.4595 -2.35282 GPRESSAVG: 3966000 -2.45295 -9.30752 -53.4029 -8.92451 -1.34881 -32.4023 -50.3206 -32.9872 -1.91324 TIMING: 3966000 CPU: 12595.7, 0.00316873/step Wall: 12595.7, 0.00316873/step, 0.910129 hours remaining, 240.296875 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: 3966000 3970.8759 20590.2752 14433.3394 237.5072 -203326.7169 2636.5024 0.0000 0.0000 51948.0854 -109510.1314 298.5464 -161458.2168 -109155.2507 299.5369 -3.8680 27.3527 762902.5794 -1.9931 -1.9050 PRESSURE: 3966200 225.243 38.8975 16.1417 38.8982 272.558 99.1593 16.1419 99.1589 -168.479 GPRESSURE: 3966200 236.161 137.767 13.36 -27.7165 311.789 34.1421 -97.6442 172.859 -150.801 PRESSAVG: 3966200 -8.27069 31.4832 -4.37537 31.4832 24.5557 -30.845 -4.37538 -30.845 8.05305 GPRESSAVG: 3966200 -8.06612 31.637 -3.12849 31.6348 24.5865 -31.8504 -4.77174 -30.0477 7.60505 TIMING: 3966200 CPU: 12596.4, 0.00315159/step Wall: 12596.4, 0.00315159/step, 0.905032 hours remaining, 240.296875 MB of memory in use. ENERGY: 3966200 3963.3620 20531.2914 14459.2278 252.9258 -203344.5094 2594.7278 0.0000 0.0000 52019.8131 -109523.1616 298.9586 -161542.9746 -109152.7103 299.3878 109.7742 132.3828 762079.0486 8.1127 8.0418 PRESSURE: 3966400 70.1582 -2.81253 -32.3075 -2.81182 -255.825 27.979 -32.306 27.9795 288.9 GPRESSURE: 3966400 34.5994 122.757 -26.4912 -134.51 -104.824 -7.62941 36.4126 137.8 260.883 PRESSAVG: 3966400 -38.4667 -40.5722 57.0143 -40.5722 -4.10792 32.567 57.0142 32.5669 -3.4304 GPRESSAVG: 3966400 -37.7233 -40.2503 56.5542 -40.8676 -3.49891 31.142 52.7355 31.9384 -4.68354 TIMING: 3966400 CPU: 12597, 0.00314344/step Wall: 12597, 0.00314344/step, 0.902518 hours remaining, 240.296875 MB of memory in use. ENERGY: 3966400 4015.1928 20551.9424 14378.8518 228.2040 -203284.2035 2666.5120 0.0000 0.0000 51807.1295 -109636.3709 297.7363 -161443.5004 -109270.6565 298.6609 34.4111 63.5530 763515.1363 -15.3350 -15.3019 PRESSURE: 3966600 361.313 -137.109 64.0558 -137.108 335.21 197.805 64.0564 197.805 500.661 GPRESSURE: 3966600 481.893 -54.5042 23.7811 13.8797 267.213 100.4 -13.6969 169.596 512.163 PRESSAVG: 3966600 -27.3499 -15.2691 35.2629 -15.269 9.50062 25.7517 35.2629 25.7517 4.14825 GPRESSAVG: 3966600 -27.3368 -15.8096 35.4984 -15.6203 9.06638 27.4473 36.861 24.8512 4.65444 TIMING: 3966600 CPU: 12597.6, 0.00315963/step Wall: 12597.6, 0.00315963/step, 0.90699 hours remaining, 240.296875 MB of memory in use. ENERGY: 3966600 4034.0076 20600.6245 14435.5059 252.4839 -203952.9841 2924.1480 0.0000 0.0000 52045.0158 -109661.1983 299.1034 -161706.2142 -109296.7196 298.5332 399.0615 420.4230 761366.9767 -4.5670 -4.5387 PRESSURE: 3966800 33.1786 -9.42579 1.57794 -9.42588 102.036 -160.756 1.57813 -160.757 -588.353 GPRESSURE: 3966800 -13.1843 36.3477 -51.8244 -20.5502 207.739 -181.621 -113.031 -87.8028 -566.534 PRESSAVG: 3966800 -5.62274 33.635 39.7823 33.635 25.749 -16.9472 39.7823 -16.9473 -15.2358 GPRESSAVG: 3966800 -5.592 34.9771 40.255 33.6023 26.1793 -17.9456 37.6113 -14.2656 -15.4002 TIMING: 3966800 CPU: 12598.3, 0.00317221/step Wall: 12598.3, 0.00317222/step, 0.910426 hours remaining, 240.296875 MB of memory in use. ENERGY: 3966800 3990.2686 20628.6314 14348.1665 250.0613 -203765.2695 2924.1010 0.0000 0.0000 51944.9158 -109679.1248 298.5281 -161624.0407 -109311.1560 298.6456 -151.0458 -123.9931 762272.2186 1.6302 1.7290 PRESSURE: 3967000 25.6869 -75.6067 -72.0498 -75.6064 324.905 161.833 -72.05 161.833 91.078 GPRESSURE: 3967000 25.7847 -32.664 -40.7844 -88.4258 364.319 139.882 -80.4784 29.881 126.714 PRESSAVG: 3967000 46.4762 2.65506 23.7471 2.65504 9.02037 12.2914 23.7472 12.2914 -3.57225 GPRESSAVG: 3967000 46.7395 2.52107 23.6547 3.63005 8.1541 11.6875 26.8729 11.5487 -3.97025 TIMING: 3967000 CPU: 12598.9, 0.003155/step Wall: 12598.9, 0.003155/step, 0.90531 hours remaining, 240.296875 MB of memory in use. ENERGY: 3967000 3933.9019 20560.2785 14413.6863 248.2021 -203838.9048 2866.9530 0.0000 0.0000 52049.0815 -109766.8015 299.1268 -161815.8830 -109399.4338 298.6107 147.2233 172.2726 761193.6269 17.3081 16.9744 PRESSURE: 3967200 -294.448 -127.99 -142.921 -127.991 -173.107 -81.7229 -142.921 -81.7236 -181.886 GPRESSURE: 3967200 -237.167 -131.968 -127.673 -140.811 -174.378 -147.9 -183.331 -105.828 -140.353 PRESSAVG: 3967200 29.3952 11.9316 42.1211 11.9316 -12.219 46.3123 42.1212 46.3123 6.15967 GPRESSAVG: 3967200 29.2289 11.0037 41.0787 12.1863 -12.044 46.9568 41.3209 44.6084 6.06291 TIMING: 3967200 CPU: 12599.5, 0.00313641/step Wall: 12599.5, 0.00313641/step, 0.899802 hours remaining, 240.296875 MB of memory in use. ENERGY: 3967200 4014.1550 20537.8501 14475.0941 260.3061 -203290.4177 2326.5446 0.0000 0.0000 52038.2165 -109638.2514 299.0643 -161676.4679 -109278.4128 298.5124 -216.4805 -183.9660 762548.5207 7.7786 7.7493 PRESSURE: 3967400 69.3853 -55.0051 -230.729 -55.0051 -299.015 -27.0941 -230.728 -27.0936 -37.8131 GPRESSURE: 3967400 18.8854 -184.254 -289.577 -53.1622 -215.591 -103.579 -67.8934 63.2575 3.60264 PRESSAVG: 3967400 31.6045 -10.5481 -8.5267 -10.5481 39.1072 18.6336 -8.52671 18.6335 22.6021 GPRESSAVG: 3967400 29.7873 -9.12552 -7.48411 -11.218 39.4095 18.4195 -8.0701 20.3439 24.1438 TIMING: 3967400 CPU: 12600.1, 0.0031141/step Wall: 12600.1, 0.0031141/step, 0.893227 hours remaining, 240.296875 MB of memory in use. ENERGY: 3967400 4036.5779 20657.1782 14450.6544 252.1772 -203249.4549 2626.2029 0.0000 0.0000 51837.5902 -109389.0741 297.9113 -161226.6643 -109032.9548 299.2757 -89.1477 -64.3675 761115.1470 31.1046 31.1135 PRESSURE: 3967600 323.499 17.972 120.764 17.972 -114.864 -180.276 120.764 -180.277 -177.945 GPRESSURE: 3967600 367.142 -39.7753 21.8812 29.3827 -50.1632 -219.496 67.9802 -33.1623 -199.038 PRESSAVG: 3967600 11.7339 -45.2538 -52.8251 -45.2539 -4.01367 18.068 -52.8251 18.068 5.57577 GPRESSAVG: 3967600 13.2469 -47.3304 -53.4794 -44.6371 -4.98425 18.2362 -52.5659 17.6001 4.68877 TIMING: 3967600 CPU: 12600.8, 0.00312854/step Wall: 12600.8, 0.00312854/step, 0.897194 hours remaining, 240.296875 MB of memory in use. ENERGY: 3967600 3885.9306 20464.3760 14466.1723 257.1581 -203491.9266 2927.0057 0.0000 0.0000 51990.2426 -109501.0414 298.7886 -161491.2840 -109129.0049 299.4156 10.2299 39.3136 762573.5301 4.4320 4.3171 PRESSURE: 3967800 8.5826 -17.0035 -106.186 -17.0033 -98.5092 -121.054 -106.187 -121.054 182.164 GPRESSURE: 3967800 71.9463 -49.247 -52.4976 73.5033 -88.0205 -94.1839 -126.674 -52.0739 200.176 PRESSAVG: 3967800 9.2091 -60.7202 -28.9438 -60.7202 11.9685 29.7053 -28.9438 29.7052 17.6802 GPRESSAVG: 3967800 9.56047 -62.2676 -29.1685 -57.7711 13.0039 29.835 -28.0314 30.3667 17.1219 TIMING: 3967800 CPU: 12601.4, 0.00311332/step Wall: 12601.4, 0.00311332/step, 0.892659 hours remaining, 240.296875 MB of memory in use. ENERGY: 3967800 3911.4020 20622.1888 14465.8612 235.2277 -203359.7597 2816.9928 0.0000 0.0000 51956.1991 -109351.8881 298.5930 -161308.0873 -108997.0352 299.0959 30.7458 61.3673 763097.5547 12.9526 13.2288 PRESSURE: 3968000 -479.475 -204.293 3.2049 -204.293 52.2941 -153.307 3.20504 -153.308 -61.8229 GPRESSURE: 3968000 -400.504 -234.641 -51.8628 -76.3227 69.1314 -201.969 94.5861 -112.58 -58.2402 PRESSAVG: 3968000 -35.3501 4.2804 -5.47801 4.28042 47.7642 -4.19771 -5.47797 -4.19774 6.74787 GPRESSAVG: 3968000 -35.9869 8.00632 -5.39463 1.03668 47.9277 -4.10579 -8.1043 -5.66931 7.30979 TIMING: 3968000 CPU: 12602, 0.00312781/step Wall: 12602, 0.00312781/step, 0.896639 hours remaining, 240.296875 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: 3968000 4070.4535 20358.4988 14467.3166 246.2358 -203398.5187 2584.9883 0.0000 0.0000 52184.1378 -109486.8878 299.9030 -161671.0257 -109112.8137 299.4813 -163.0011 -129.8709 762632.6083 6.3873 6.4169 PRESSURE: 3968200 -64.8296 57.394 225.944 57.393 -326.263 40.8474 225.944 40.8475 57.3952 GPRESSURE: 3968200 -50.2986 2.31237 159.825 -85.8418 -196.453 88.6942 341.173 46.5515 -7.75481 PRESSAVG: 3968200 5.51085 22.5614 74.5895 22.5614 -17.1963 -30.1537 74.5895 -30.1536 -7.0581 GPRESSAVG: 3968200 6.1954 21.3128 75.4474 24.127 -16.7671 -29.9807 74.8542 -29.3063 -7.74122 TIMING: 3968200 CPU: 12602.6, 0.00314381/step Wall: 12602.6, 0.00314381/step, 0.901051 hours remaining, 240.296875 MB of memory in use. ENERGY: 3968200 3963.0801 20695.4502 14415.3519 250.8975 -203034.3414 2395.2718 0.0000 0.0000 51953.8116 -109360.4783 298.5793 -161314.2899 -108996.2174 299.1281 -111.2323 -84.8354 762211.0274 -6.2479 -6.1043 LDB: ============= START OF LOAD BALANCING ============== 12615.1 LDB: ============== END OF LOAD BALANCING =============== 12615.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12615.1 LDB: ============= START OF LOAD BALANCING ============== 12615.4 LDB: Largest compute 7048 load 0.034173 is 17.5% of average load 0.195370 LDB: Average compute 0.004374 is 2.2% of average load 0.195370 LDB: TIME 12615.4 LOAD: AVG 0.19537 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 12615.4 LOAD: AVG 0.19537 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 12615.4 LOAD: AVG 0.19537 MAX 0.214406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 12615.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12615.4 PRESSURE: 3968400 350.543 -111.806 -290.798 -111.806 146.938 -210.845 -290.798 -210.845 52.2326 GPRESSURE: 3968400 418.516 -134.535 -215.167 -120.462 184.289 -190.827 -281.636 -41.4358 44.5865 PRESSAVG: 3968400 3.16631 2.96776 27.3618 2.96773 23.745 -9.50863 27.3618 -9.50855 25.4163 GPRESSAVG: 3968400 3.03581 1.2827 26.6641 2.23546 24.4738 -11.3741 26.9979 -10.6262 25.2154 TIMING: 3968400 CPU: 12603.3, 0.00319049/step Wall: 12603.3, 0.00319049/step, 0.914253 hours remaining, 239.527344 MB of memory in use. ENERGY: 3968400 4009.9592 20669.8261 14515.2716 236.2430 -203249.8594 2615.1363 0.0000 0.0000 51942.8173 -109260.6061 298.5161 -161203.4234 -108897.0934 299.4719 183.2378 215.7972 764001.1659 17.4425 17.5750 PRESSURE: 3968600 -238.507 86.4518 130.162 86.4529 -307.474 67.7165 130.162 67.716 -204.875 GPRESSURE: 3968600 -151.634 160.179 83.0775 106.192 -293.672 24.2463 201.591 63.7556 -234.893 PRESSAVG: 3968600 -35.7317 29.8448 -5.73314 29.8447 13.4101 -2.57668 -5.73311 -2.57673 -10.5188 GPRESSAVG: 3968600 -35.7023 30.9302 -5.47204 29.8159 12.7359 -0.772338 -1.46786 -1.36933 -10.6295 TIMING: 3968600 CPU: 12603.9, 0.00314063/step Wall: 12603.9, 0.00314063/step, 0.89979 hours remaining, 239.527344 MB of memory in use. ENERGY: 3968600 4025.6582 20588.3825 14522.3294 254.8172 -202910.0522 2294.2960 0.0000 0.0000 51992.6399 -109231.9289 298.8024 -161224.5688 -108872.9164 299.0201 -250.2856 -226.7330 763162.9938 -10.9468 -11.1986 PRESSURE: 3968800 -446.075 -37.9962 -58.3086 -37.9975 -174.425 -342.96 -58.3083 -342.959 113.235 GPRESSURE: 3968800 -397.319 -3.66418 -71.545 -175.522 -93.9451 -288.195 7.63281 -261.496 58.0402 PRESSAVG: 3968800 -76.2026 8.09482 -7.5672 8.09478 37.9927 8.89586 -7.56717 8.8959 -7.50898 GPRESSAVG: 3968800 -77.2999 10.4463 -6.67156 6.65372 38.4454 8.14283 -10.9836 7.50026 -6.83841 TIMING: 3968800 CPU: 12604.5, 0.00313822/step Wall: 12604.5, 0.00313822/step, 0.898927 hours remaining, 239.527344 MB of memory in use. ENERGY: 3968800 4000.9812 20384.1038 14416.2107 263.2069 -203018.0011 2394.5383 0.0000 0.0000 52382.5681 -109176.3920 301.0433 -161558.9601 -108813.3517 299.4673 -169.0883 -144.4081 762731.3810 -15.2396 -15.2310 PRESSURE: 3969000 -358.981 -186.328 61.2839 -186.328 375.31 -75.9381 61.2835 -75.9379 -303.009 GPRESSURE: 3969000 -304.736 -80.7856 34.1538 -152.587 320.307 56.8494 -74.0662 -97.4737 -218.669 PRESSAVG: 3969000 -91.084 -10.2548 61.2299 -10.2548 78.9057 -7.40197 61.2299 -7.40206 -12.8001 GPRESSAVG: 3969000 -90.0839 -12.8813 58.7469 -9.22148 77.1532 -7.30824 62.814 -8.43146 -12.6632 TIMING: 3969000 CPU: 12605.2, 0.00312924/step Wall: 12605.2, 0.00312924/step, 0.89618 hours remaining, 239.527344 MB of memory in use. ENERGY: 3969000 4043.3149 20495.3463 14425.7272 255.6788 -203279.0621 2633.0340 0.0000 0.0000 52312.9544 -109113.0064 300.6433 -161425.9608 -108744.4592 299.4211 -95.5598 -67.6994 761106.9249 -8.3261 -8.5313 PRESSURE: 3969200 138.556 -66.6955 44.8476 -66.6945 89.6157 -1.49061 44.8475 -1.49202 274.588 GPRESSURE: 3969200 70.3974 -86.2166 18.8086 -31.945 274.201 17.1039 -1.06212 -68.6208 248.349 PRESSAVG: 3969200 -42.5384 22.5724 -20.4817 22.5724 66.7894 -9.10063 -20.4817 -9.10063 0.170601 GPRESSAVG: 3969200 -44.8185 24.2292 -18.3385 22.2916 69.0396 -9.42792 -21.9781 -6.48774 0.601782 TIMING: 3969200 CPU: 12605.8, 0.00312446/step Wall: 12605.8, 0.00312446/step, 0.894637 hours remaining, 239.527344 MB of memory in use. ENERGY: 3969200 3913.6570 20533.0859 14479.3601 243.5636 -202970.9987 2507.1203 0.0000 0.0000 52230.9088 -109063.3030 300.1718 -161294.2118 -108693.7790 300.1478 167.5866 197.6493 760725.8430 8.1405 8.2743 PRESSURE: 3969400 -81.1116 -4.2199 -22.141 -4.22078 -174.18 -336.31 -22.141 -336.309 -105.453 GPRESSURE: 3969400 -93.1435 -18.5498 -102.493 -14.3738 -143.184 -233.779 -40.414 -335.613 -48.8814 PRESSAVG: 3969400 8.39515 -35.5345 0.0454168 -35.5345 34.2038 -15.5656 0.0454728 -15.5656 18.1254 GPRESSAVG: 3969400 9.63628 -34.6886 0.315829 -36.219 34.7097 -14.7729 0.11981 -15.6679 16.8983 TIMING: 3969400 CPU: 12606.4, 0.00313557/step Wall: 12606.4, 0.00313557/step, 0.897643 hours remaining, 239.527344 MB of memory in use. ENERGY: 3969400 4005.7824 20400.9309 14433.9955 261.3284 -202714.3975 2297.4575 0.0000 0.0000 52248.3878 -109066.5151 300.2722 -161314.9028 -108694.1814 300.5945 -120.2482 -95.0697 762545.3374 20.2414 20.4148 PRESSURE: 3969600 -191.958 -16.709 35.302 -16.7075 138.153 59.0861 35.3021 59.0859 53.6798 GPRESSURE: 3969600 -80.0253 -48.6587 -42.4539 -66.8385 101.621 -7.64643 31.3309 9.12154 54.0225 PRESSAVG: 3969600 5.74122 -40.0591 26.3386 -40.059 15.5657 -5.81431 26.3386 -5.81435 4.2411 GPRESSAVG: 3969600 6.31096 -42.3473 24.9049 -37.7814 14.3481 -5.43689 25.0962 -7.77407 4.87143 TIMING: 3969600 CPU: 12607.1, 0.00317691/step Wall: 12607.1, 0.00317691/step, 0.909302 hours remaining, 239.527344 MB of memory in use. ENERGY: 3969600 4029.8135 20566.8796 14468.8436 250.3690 -203092.2057 2649.3768 0.0000 0.0000 52135.4048 -108991.5184 299.6229 -161126.9232 -108638.2342 300.3661 -0.0418 25.2059 762608.7775 8.5160 8.5102 PRESSURE: 3969800 -377.915 -92.1455 -80.4399 -92.1459 -144.329 35.6058 -80.4412 35.6055 329.312 GPRESSURE: 3969800 -192.212 -63.9557 -73.9949 -40.6318 -233.233 68.6888 -7.72137 86.3713 319.715 PRESSAVG: 3969800 -11.2096 -31.0613 14.3778 -31.0613 7.60063 -21.9771 14.3778 -21.9771 14.1451 GPRESSAVG: 3969800 -10.8431 -28.7446 15.9572 -31.1251 7.0382 -22.733 16.6342 -18.4837 14.5227 TIMING: 3969800 CPU: 12607.7, 0.00311468/step Wall: 12607.7, 0.00311468/step, 0.891319 hours remaining, 239.527344 MB of memory in use. ENERGY: 3969800 4006.4230 20530.2910 14391.2169 240.4792 -202547.6109 2476.8797 0.0000 0.0000 51705.5147 -109196.8064 297.1523 -160902.3211 -108836.7232 299.9048 -64.3109 -35.2434 764948.1526 3.5121 3.5726 PRESSURE: 3970000 -556.23 190.245 251.07 190.245 -6.91471 168.842 251.069 168.843 -47.1786 GPRESSURE: 3970000 -457.066 186.167 173.712 60.573 19.13 55.6922 352.046 132.687 -83.0227 PRESSAVG: 3970000 -35.469 8.38244 -6.97054 8.38234 32.0231 58.9077 -6.97057 58.9078 -19.8752 GPRESSAVG: 3970000 -35.4365 6.85958 -7.5853 7.46984 32.2017 58.7631 -7.65079 56.5947 -20.4994 TIMING: 3970000 CPU: 12608.3, 0.00312208/step Wall: 12608.3, 0.00312207/step, 0.89326 hours remaining, 239.527344 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: 3970000 4005.7207 20427.8888 14387.3355 237.2659 -202675.1430 2178.1580 0.0000 0.0000 52179.2089 -109259.5652 299.8746 -161438.7741 -108891.2056 299.6102 -203.4410 -173.6528 762456.0606 -7.7737 -7.9114 PRESSURE: 3970200 70.2341 49.2472 42.9702 49.248 -29.8289 22.1996 42.9704 22.1996 356.664 GPRESSURE: 3970200 116.81 -58.6606 5.64306 87.1568 -34.6119 29.0759 -65.6434 13.6713 393.761 PRESSAVG: 3970200 13.7607 -77.0015 20.6077 -77.0015 -19.6391 -7.32112 20.6076 -7.32116 0.523985 GPRESSAVG: 3970200 13.2433 -76.2917 20.4891 -77.2646 -19.1799 -7.14662 21.0763 -7.15908 1.18119 TIMING: 3970200 CPU: 12608.9, 0.00312847/step Wall: 12608.9, 0.00312847/step, 0.894916 hours remaining, 239.527344 MB of memory in use. ENERGY: 3970200 3961.9136 20465.1705 14427.8486 253.1185 -203033.4002 2695.0151 0.0000 0.0000 51885.9045 -109344.4295 298.1890 -161230.3339 -108977.0030 299.6892 132.3564 158.6531 762427.8445 -1.7848 -1.5851 PRESSURE: 3970400 138.255 -65.8995 -42.0846 -65.8993 16.4089 -234.48 -42.0847 -234.48 -91.9856 GPRESSURE: 3970400 120.264 -38.8724 3.62909 -45.4949 69.1989 -214.65 -46.9537 -175.138 -32.4455 PRESSAVG: 3970400 -46.1896 -68.6845 63.9347 -68.6845 46.9537 -5.86338 63.9347 -5.86339 14.6966 GPRESSAVG: 3970400 -46.3979 -69.2868 63.6592 -68.5208 47.0842 -4.70259 65.0491 -7.09351 15.1415 TIMING: 3970400 CPU: 12609.6, 0.00313578/step Wall: 12609.6, 0.00313578/step, 0.896832 hours remaining, 239.527344 MB of memory in use. ENERGY: 3970400 4003.1329 20497.6066 14420.5444 255.2005 -203547.3417 2818.9245 0.0000 0.0000 52257.9324 -109294.0003 300.3271 -161551.9327 -108938.5100 299.8495 20.8928 52.3393 762988.6599 5.1536 5.2759 PRESSURE: 3970600 -200.138 -34.0061 -113.439 -34.0056 -378.368 123.782 -113.439 123.782 0.381933 GPRESSURE: 3970600 -175.259 -54.5511 -115.653 -36.4969 -298.71 50.6441 -171.006 58.6876 -25.5085 PRESSAVG: 3970600 -61.8275 -16.8703 13.4691 -16.8703 48.5217 -6.26683 13.4691 -6.26683 -21.3108 GPRESSAVG: 3970600 -61.5398 -17.5707 13.1224 -16.4358 48.717 -7.32185 13.5321 -4.98916 -22.1225 TIMING: 3970600 CPU: 12610.2, 0.00313788/step Wall: 12610.2, 0.00313788/step, 0.897259 hours remaining, 239.527344 MB of memory in use. ENERGY: 3970600 3951.2755 20329.2305 14461.5596 240.1609 -203215.5983 2515.9287 0.0000 0.0000 52249.6320 -109467.8112 300.2794 -161717.4432 -109093.5109 299.7897 -192.7080 -166.4925 762970.8321 -11.5388 -11.6484 PRESSURE: 3970800 187.964 -122.916 224.876 -122.916 -605.773 69.1749 224.876 69.1746 174.984 GPRESSURE: 3970800 117.628 -73.6503 205.45 -182.296 -497.575 -20.6221 137.998 172.609 196.577 PRESSAVG: 3970800 28.5782 -80.0402 33.689 -80.0403 -25.0895 22.5859 33.689 22.5858 -19.5389 GPRESSAVG: 3970800 27.1872 -78.6353 35.5968 -80.4589 -25.3597 24.5962 31.4511 21.9325 -17.9757 TIMING: 3970800 CPU: 12610.8, 0.00315644/step Wall: 12610.8, 0.00315644/step, 0.90239 hours remaining, 239.527344 MB of memory in use. ENERGY: 3970800 3950.7026 20553.0781 14518.0643 252.4782 -203101.8044 2483.8533 0.0000 0.0000 51955.9411 -109387.6868 298.5915 -161343.6279 -109027.8595 299.5116 -80.9414 -61.1233 762668.2499 -5.3501 -5.3827 PRESSURE: 3971000 46.212 -11.7979 -53.284 -11.7973 -90.0631 -110.276 -53.2843 -110.276 44.8236 GPRESSURE: 3971000 51.8617 40.233 -13.705 70.3175 -43.926 -133.8 -56.6664 -132.506 55.4454 PRESSAVG: 3971000 11.9122 -44.8446 -9.32466 -44.8446 17.9222 24.5058 -9.32473 24.5058 -6.61195 GPRESSAVG: 3971000 12.9138 -45.2097 -10.1741 -43.2929 17.6341 24.2902 -7.28192 24.9075 -7.33236 TIMING: 3971000 CPU: 12611.4, 0.0031418/step Wall: 12611.4, 0.0031418/step, 0.898032 hours remaining, 239.527344 MB of memory in use. ENERGY: 3971000 3983.8597 20558.9294 14472.6440 248.9880 -203135.4811 2556.9433 0.0000 0.0000 51926.3889 -109387.7278 298.4217 -161314.1167 -109035.8516 299.5046 0.3242 21.1270 761769.5524 7.7408 7.7385 PRESSURE: 3971200 111.421 -59.0925 114.735 -59.0925 70.2325 117.46 114.736 117.461 -91.7767 GPRESSURE: 3971200 81.8764 -64.8373 105.029 -189.817 105.038 116.792 109.805 2.33642 -19.1977 PRESSAVG: 3971200 13.8231 -59.2138 26.0613 -59.2138 -23.3869 33.8401 26.0614 33.8402 7.74633 GPRESSAVG: 3971200 14.6543 -58.2177 25.6127 -62.3962 -23.7882 32.8987 26.152 31.6788 7.5671 TIMING: 3971200 CPU: 12612.1, 0.00314146/step Wall: 12612.1, 0.00314146/step, 0.897759 hours remaining, 239.527344 MB of memory in use. ENERGY: 3971200 3887.0380 20593.7877 14482.0840 266.3707 -203310.5627 2578.7721 0.0000 0.0000 51957.5473 -109544.9631 298.6007 -161502.5104 -109187.0498 298.6759 29.9588 55.9056 760175.1852 -0.6058 -0.5223 PRESSURE: 3971400 -104.606 -244.921 -16.5751 -244.921 407.615 -28.4021 -16.5743 -28.4023 187.762 GPRESSURE: 3971400 -98.3024 -185.69 82.5901 -259.216 446.945 -75.2007 -8.95968 186.584 211.315 PRESSAVG: 3971400 17.1964 -13.1709 -39.528 -13.1709 6.82509 -34.5779 -39.528 -34.5779 -5.51094 GPRESSAVG: 3971400 16.1875 -11.9262 -38.3489 -12.5762 7.66409 -33.5432 -38.8138 -33.9509 -5.737 TIMING: 3971400 CPU: 12612.7, 0.00314418/step Wall: 12612.7, 0.00314418/step, 0.898363 hours remaining, 239.527344 MB of memory in use. ENERGY: 3971400 3975.8699 20544.6745 14426.6357 246.7278 -203244.4280 2731.0285 0.0000 0.0000 51998.4787 -109321.0129 298.8360 -161319.4916 -108964.3422 299.3088 163.5901 186.6525 760552.3274 6.1702 6.0382 PRESSURE: 3971600 208.491 128.573 -0.104 128.574 266.684 -53.0744 -0.104611 -53.0751 202.124 GPRESSURE: 3971600 238.924 125.768 -13.7464 103.299 341.315 -106.728 80.3777 5.83877 180.617 PRESSAVG: 3971600 3.23797 -31.1235 16.4293 -31.1235 4.23263 -30.125 16.4293 -30.1249 6.36232 GPRESSAVG: 3971600 4.43341 -31.3818 15.0733 -29.1397 4.57741 -32.6721 15.476 -27.1913 5.19867 TIMING: 3971600 CPU: 12613.3, 0.00313719/step Wall: 12613.3, 0.00313719/step, 0.896191 hours remaining, 239.527344 MB of memory in use. ENERGY: 3971600 3973.3849 20574.0843 14402.8746 256.8346 -203444.8118 2928.1089 0.0000 0.0000 52255.7639 -109053.7606 300.3146 -161309.5245 -108691.0517 299.7143 225.7663 253.6185 760904.1460 4.6110 4.7365 PRESSURE: 3971800 -135.588 -59.9961 74.89 -59.9963 -428.553 55.8333 74.8901 55.8331 -210.838 GPRESSURE: 3971800 -126.852 -24.4994 128.198 -166.756 -287.579 58.6127 -17.0886 67.4189 -270.772 PRESSAVG: 3971800 -21.2782 27.4093 3.09891 27.4093 4.1736 -43.4343 3.09889 -43.4344 -4.18915 GPRESSAVG: 3971800 -23.6756 27.1756 2.79089 25.8446 5.29232 -40.5244 5.77936 -47.392 -2.7669 TIMING: 3971800 CPU: 12614, 0.00314886/step Wall: 12614, 0.00314886/step, 0.89935 hours remaining, 239.527344 MB of memory in use. ENERGY: 3971800 4037.1697 20563.6748 14401.3791 251.7046 -203288.1906 2439.3090 0.0000 0.0000 52232.0880 -109362.8655 300.1785 -161594.9535 -109015.4287 299.6784 -258.3266 -228.4008 761478.4687 -7.0979 -7.0501 PRESSURE: 3972000 -105.941 20.3303 -21.31 20.3293 193.041 46.1746 -21.3102 46.175 -204.458 GPRESSURE: 3972000 -123.501 -98.5967 -91.9142 28.1558 252.297 -14.1035 3.16272 15.6046 -153.9 PRESSAVG: 3972000 -70.1761 -19.7435 -43.5402 -19.7435 78.5641 20.1648 -43.5402 20.1647 -4.17161 GPRESSAVG: 3972000 -68.6835 -19.7946 -44.6432 -20.0038 77.0996 19.4816 -47.0722 22.1363 -4.13864 TIMING: 3972000 CPU: 12614.6, 0.00315016/step Wall: 12614.6, 0.00315016/step, 0.899547 hours remaining, 239.527344 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: 3972000 3985.8718 20657.8132 14453.8965 239.1112 -203632.2361 2673.1787 0.0000 0.0000 52264.7650 -109357.5997 300.3663 -161622.3648 -109004.2799 299.5823 -39.1190 -8.3679 763016.0485 1.4055 1.4258 PRESSURE: 3972200 -336.663 -44.6122 45.559 -44.6121 -75.3817 28.7708 45.5592 28.7715 -144.288 GPRESSURE: 3972200 -273.143 105.186 23.7692 -48.0926 -75.8045 -49.803 68.1414 20.6145 -126.842 PRESSAVG: 3972200 -65.1714 -0.584619 -31.1677 -0.584659 32.4671 7.65271 -31.1677 7.6527 21.9348 GPRESSAVG: 3972200 -64.2616 0.403027 -29.3857 -0.479478 31.6229 6.66636 -31.8359 7.08637 21.6022 TIMING: 3972200 CPU: 12615.2, 0.00314339/step Wall: 12615.2, 0.00314339/step, 0.897439 hours remaining, 239.527344 MB of memory in use. ENERGY: 3972200 4046.2618 20680.3297 14503.8328 256.6100 -203564.1165 2444.0714 0.0000 0.0000 52283.1542 -109349.8565 300.4720 -161633.0107 -108994.2055 299.7312 -185.4442 -158.5963 761994.7883 -3.5898 -3.6789 LDB: ============= START OF LOAD BALANCING ============== 12627.7 LDB: ============== END OF LOAD BALANCING =============== 12627.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12627.7 LDB: ============= START OF LOAD BALANCING ============== 12628 LDB: Largest compute 7064 load 0.033751 is 17.3% of average load 0.195358 LDB: Average compute 0.004372 is 2.2% of average load 0.195358 LDB: TIME 12628 LOAD: AVG 0.195358 MAX 0.214791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 12628 LOAD: AVG 0.195358 MAX 0.214791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: TIME 12628 LOAD: AVG 0.195358 MAX 0.214791 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.336 MB LDB: ============== END OF LOAD BALANCING =============== 12628 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12628 PRESSURE: 3972400 280.347 -48.1194 -184.531 -48.1207 -14.4856 7.15344 -184.531 7.15238 293.141 GPRESSURE: 3972400 299.221 36.1908 -201.397 55.7717 81.092 27.9999 -99.0285 99.9397 256.216 PRESSAVG: 3972400 37.3275 -5.51039 32.6455 -5.51041 22.7326 -28.6813 32.6455 -28.6813 -5.63103 GPRESSAVG: 3972400 36.9212 -6.98837 33.3685 -3.83467 24.1589 -28.5145 32.7586 -28.6228 -7.37915 TIMING: 3972400 CPU: 12615.9, 0.00319088/step Wall: 12615.9, 0.00319088/step, 0.91082 hours remaining, 241.839844 MB of memory in use. ENERGY: 3972400 4106.3337 20493.1226 14432.0251 232.1175 -203569.6565 2731.6415 0.0000 0.0000 52153.7728 -109420.6434 299.7284 -161574.4162 -109058.4312 300.0015 186.3339 212.1763 759512.6714 18.1430 17.9003 PRESSURE: 3972600 -87.3667 252.963 58.3943 252.963 -241.22 142.273 58.3957 142.273 -452.124 GPRESSURE: 3972600 -61.124 248.945 73.3344 115.911 -182.042 148.251 62.6468 13.8678 -443.235 PRESSAVG: 3972600 -23.9625 6.49044 41.7083 6.49043 39.9259 6.86361 41.7083 6.8636 -20.9489 GPRESSAVG: 3972600 -24.1179 5.63936 40.8101 5.16159 38.5816 7.26752 43.1033 5.72392 -19.5355 TIMING: 3972600 CPU: 12616.5, 0.00315758/step Wall: 12616.5, 0.00315758/step, 0.90114 hours remaining, 241.839844 MB of memory in use. ENERGY: 3972600 3974.5356 20536.5897 14410.7965 270.8267 -203507.1838 2670.7688 0.0000 0.0000 52074.2170 -109569.4495 299.2712 -161643.6665 -109208.4082 299.3794 -260.2371 -228.8004 760816.0030 -1.6618 -1.6906 PRESSURE: 3972800 -96.416 52.1564 28.9855 52.1571 -247.486 102.534 28.9861 102.534 -206.933 GPRESSURE: 3972800 -111.86 33.2939 22.0061 36.8117 -217.901 148.417 -174.396 13.6996 -127.51 PRESSAVG: 3972800 24.5112 -9.65073 43.2452 -9.65075 11.6878 -5.32495 43.2452 -5.32489 -5.57831 GPRESSAVG: 3972800 24.3208 -10.965 42.64 -7.84773 11.7441 -6.63932 42.522 -1.87446 -5.09412 TIMING: 3972800 CPU: 12617.1, 0.00312377/step Wall: 12617.1, 0.00312377/step, 0.891315 hours remaining, 241.839844 MB of memory in use. ENERGY: 3972800 4058.5407 20457.9557 14458.6404 247.9072 -203590.6013 2658.1031 0.0000 0.0000 52138.7500 -109570.7043 299.6421 -161709.4542 -109205.2129 299.4716 -183.6116 -152.4235 761115.0530 10.2069 10.3236 PRESSURE: 3973000 136.75 -39.4632 143.462 -39.4628 1.14856 180.135 143.462 180.134 77.3018 GPRESSURE: 3973000 120.791 36.2542 144.82 -85.3746 50.3515 159.807 129.878 171.446 126.386 PRESSAVG: 3973000 7.7956 -36.1713 -18.695 -36.1713 42.6785 39.2751 -18.695 39.2751 -5.32423 GPRESSAVG: 3973000 7.03123 -34.0755 -18.3814 -39.4504 44.1678 39.7438 -17.769 36.1867 -6.17944 TIMING: 3973000 CPU: 12617.7, 0.00315244/step Wall: 12617.7, 0.00315244/step, 0.899322 hours remaining, 241.839844 MB of memory in use. ENERGY: 3973000 3953.1383 20639.3350 14448.2102 259.7411 -203509.3668 2769.6439 0.0000 0.0000 52046.7156 -109392.5825 299.1132 -161439.2981 -109034.3325 299.5595 71.7333 99.1764 760401.9312 15.0500 15.0065 PRESSURE: 3973200 46.2071 -171.46 9.93374 -171.459 -84.7814 -93.3349 9.93277 -93.3356 -319.589 GPRESSURE: 3973200 61.6611 -164.315 -33.1366 -139.957 -29.8852 -153.401 17.1459 -148.423 -288.66 PRESSAVG: 3973200 61.9753 -7.7216 -58.5919 -7.72166 -35.3036 49.6568 -58.5919 49.6568 7.53375 GPRESSAVG: 3973200 62.1893 -8.15105 -57.793 -6.06687 -36.291 51.5277 -58.8916 51.4514 8.05151 TIMING: 3973200 CPU: 12618.4, 0.00315268/step Wall: 12618.4, 0.00315268/step, 0.899213 hours remaining, 241.839844 MB of memory in use. ENERGY: 3973200 3884.9049 20492.3025 14477.3440 249.2894 -203251.4828 2467.5429 0.0000 0.0000 52227.4000 -109452.6991 300.1516 -161680.0991 -109087.4399 299.9401 -119.3876 -85.6280 760023.3560 11.4018 11.3166 PRESSURE: 3973400 126.123 139.395 -221.072 139.395 -69.6392 -46.3939 -221.072 -46.3934 -132.626 GPRESSURE: 3973400 209.194 118.126 -174.053 120.714 -37.0225 -75.3744 -211.889 -123.312 -163.199 PRESSAVG: 3973400 51.7051 -38.9599 -50.669 -38.9598 -47.3644 -29.7917 -50.669 -29.7917 7.34629 GPRESSAVG: 3973400 52.126 -38.0295 -51.6394 -38.5603 -48.2518 -29.0865 -51.3874 -29.0774 7.03682 TIMING: 3973400 CPU: 12619, 0.00313857/step Wall: 12619, 0.00313857/step, 0.895016 hours remaining, 241.839844 MB of memory in use. ENERGY: 3973400 4014.2033 20492.9021 14485.0945 238.5843 -203431.0319 2531.2110 0.0000 0.0000 52299.7847 -109369.2522 300.5676 -161669.0368 -108998.6249 299.5660 -25.3806 2.9909 759482.2298 3.8957 3.6370 PRESSURE: 3973600 -126.023 -68.723 178.831 -68.7226 -73.255 -258.005 178.832 -258.005 22.6205 GPRESSURE: 3973600 -118.147 -93.4213 210.718 -51.6264 -3.32257 -304.69 98.7429 -180.607 28.086 PRESSAVG: 3973600 57.1491 -52.8904 5.98475 -52.8903 -17.5104 -16.9856 5.98473 -16.9856 14.4414 GPRESSAVG: 3973600 56.6278 -51.2674 6.36513 -50.993 -16.0533 -19.6025 8.9993 -16.8874 13.9233 TIMING: 3973600 CPU: 12619.6, 0.00314642/step Wall: 12619.6, 0.00314642/step, 0.89708 hours remaining, 241.839844 MB of memory in use. ENERGY: 3973600 4003.4283 20472.2414 14384.9756 231.9461 -203078.7424 2165.9659 0.0000 0.0000 52142.3140 -109677.8710 299.6626 -161820.1851 -109304.2407 299.7304 -58.8860 -31.1280 761363.0670 18.0267 18.1659 PRESSURE: 3973800 106.462 64.7113 189.626 64.7117 -311.993 10.8226 189.627 10.8235 23.82 GPRESSURE: 3973800 143.284 67.26 242.221 131.562 -223.598 16.9789 160.385 43.1423 -1.79823 PRESSAVG: 3973800 -15.7307 20.3211 -27.2378 20.3212 9.74144 32.3951 -27.2378 32.3952 1.12968 GPRESSAVG: 3973800 -15.0604 19.7375 -27.2966 17.2979 9.53465 33.7454 -32.1114 31.3234 1.00978 TIMING: 3973800 CPU: 12620.3, 0.00314177/step Wall: 12620.3, 0.00314177/step, 0.895579 hours remaining, 241.839844 MB of memory in use. ENERGY: 3973800 3919.6236 20449.3359 14403.0767 259.1222 -203674.4004 2663.1152 0.0000 0.0000 52338.1835 -109641.9432 300.7883 -161980.1267 -109281.9212 299.2177 -60.5704 -27.3708 760123.4736 -1.6199 -1.5053 PRESSURE: 3974000 -1.13046 105.655 -310.202 105.655 29.8023 -28.7597 -310.202 -28.7594 -268.126 GPRESSURE: 3974000 78.1188 177.221 -220.038 75.8801 9.60318 -31.8764 -179.152 7.22155 -249.385 PRESSAVG: 3974000 2.59969 13.8409 -73.8097 13.8409 61.4323 -19.3674 -73.8097 -19.3673 -12.6103 GPRESSAVG: 3974000 1.78766 13.1658 -74.6185 12.6395 61.0275 -18.558 -70.6024 -18.3896 -12.075 TIMING: 3974000 CPU: 12620.9, 0.00314527/step Wall: 12620.9, 0.00314527/step, 0.896403 hours remaining, 241.839844 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: 3974000 4027.1638 20483.0437 14403.6747 238.3401 -203529.5478 2517.7582 0.0000 0.0000 52153.2825 -109706.2848 299.7256 -161859.5673 -109340.9363 299.5066 -79.8180 -53.8877 759144.6436 17.1406 16.9134 PRESSURE: 3974200 170.72 154.385 -230.031 154.385 45.8381 -117.093 -230.033 -117.093 -105.035 GPRESSURE: 3974200 110.833 85.4091 -257.383 165.649 94.6273 -120.638 -210.956 -167.113 -17.1535 PRESSAVG: 3974200 -14.4856 10.3165 -29.7759 10.3165 39.5155 22.4241 -29.7759 22.4242 22.6189 GPRESSAVG: 3974200 -15.9991 8.70016 -29.5406 12.2828 39.5722 21.8824 -29.7865 20.7611 23.4311 TIMING: 3974200 CPU: 12621.5, 0.00316093/step Wall: 12621.5, 0.00316093/step, 0.900691 hours remaining, 241.839844 MB of memory in use. ENERGY: 3974200 4020.9282 20536.0962 14490.1162 228.9305 -203851.0988 2659.3623 0.0000 0.0000 52180.1434 -109735.5219 299.8800 -161915.6653 -109370.9025 299.2238 37.1745 62.7688 759740.8922 15.8829 15.6680 PRESSURE: 3974400 473.206 61.0994 381.602 61.0994 -153.822 89.9466 381.602 89.9475 42.4257 GPRESSURE: 3974400 477.845 145.908 374.295 121.741 -101.423 203.89 294.841 103.477 58.2637 PRESSAVG: 3974400 -20.4183 5.23566 -101.271 5.23566 -10.8509 19.7195 -101.271 19.7196 -3.97129 GPRESSAVG: 3974400 -18.6952 7.02603 -100.377 5.81877 -10.6651 21.3353 -103.175 19.3251 -5.6915 TIMING: 3974400 CPU: 12622.1, 0.00315171/step Wall: 12622.1, 0.00315171/step, 0.897887 hours remaining, 241.839844 MB of memory in use. ENERGY: 3974400 4025.4588 20636.9529 14462.9219 227.9413 -203911.0546 2699.3574 0.0000 0.0000 52026.3843 -109832.0380 298.9963 -161858.4223 -109474.9318 299.0815 120.6032 144.8953 758960.9660 -11.7468 -11.6839 PRESSURE: 3974600 67.2638 195.241 15.0019 195.242 -383.762 -20.7647 15.0029 -20.7653 143.665 GPRESSURE: 3974600 93.3585 106.258 -65.8955 124.985 -336.822 -63.5815 -84.666 78.0673 158.984 PRESSAVG: 3974600 54.7986 17.9993 1.11856 17.9994 -47.3782 39.5469 1.11862 39.547 1.41225 GPRESSAVG: 3974600 53.9261 17.9445 0.253914 17.4622 -47.7608 37.8371 3.1664 40.4755 2.60932 TIMING: 3974600 CPU: 12622.8, 0.00315007/step Wall: 12622.8, 0.00315007/step, 0.897244 hours remaining, 241.839844 MB of memory in use. ENERGY: 3974600 3955.8659 20585.8847 14334.7889 257.0752 -203747.4748 2678.9766 0.0000 0.0000 52069.6974 -109865.1861 299.2453 -161934.8835 -109500.5990 298.7881 -57.6110 -28.1598 760937.9638 2.9442 2.9249 PRESSURE: 3974800 318.278 -59.291 -13.6838 -59.2899 248.095 -36.0306 -13.6833 -36.0298 50.0888 GPRESSURE: 3974800 294.394 -114.213 10.8746 -3.02509 301.168 -76.6855 20.9402 -12.6862 110.963 PRESSAVG: 3974800 -16.6937 -17.5561 -13.5322 -17.5561 -9.53643 29.1453 -13.5321 29.1453 34.4598 GPRESSAVG: 3974800 -15.8185 -19.4847 -12.2115 -18.6259 -9.04555 29.1283 -14.5666 26.9137 33.6269 TIMING: 3974800 CPU: 12623.4, 0.00315074/step Wall: 12623.4, 0.00315074/step, 0.897262 hours remaining, 241.839844 MB of memory in use. ENERGY: 3974800 3965.4986 20486.7752 14421.6719 250.4764 -203997.0398 2743.8774 0.0000 0.0000 52154.9230 -109973.8173 299.7351 -162128.7403 -109598.7500 298.9668 205.4873 235.5084 758321.6958 2.7432 2.9210 PRESSURE: 3975000 359.979 67.7486 -107.655 67.7489 -3.53557 160.74 -107.654 160.739 -133.262 GPRESSURE: 3975000 328.992 121.13 -44.5362 53.9756 -22.4923 216.841 -1.37087 30.1898 -5.05217 PRESSAVG: 3975000 -4.9271 -26.7566 20.4293 -26.7566 22.5948 10.4215 20.4293 10.4216 15.8707 GPRESSAVG: 3975000 -5.69249 -24.3744 19.7746 -27.5738 22.0926 10.9489 20.2737 13.9302 17.4074 TIMING: 3975000 CPU: 12624, 0.00316268/step Wall: 12624, 0.00316267/step, 0.900484 hours remaining, 241.839844 MB of memory in use. ENERGY: 3975000 4003.4234 20470.2811 14405.0528 240.8011 -203917.9849 2758.3851 0.0000 0.0000 52084.1217 -109955.9199 299.3282 -162040.0415 -109588.2515 298.6271 74.3937 100.4824 759442.2672 11.1795 11.2692 PRESSURE: 3975200 122.422 -59.6514 46.9894 -59.651 -68.6295 -89.3564 46.9899 -89.3561 143.438 GPRESSURE: 3975200 151.277 -149.923 50.0185 -117.422 -77.3961 -136.888 149.963 -3.89536 208.27 PRESSAVG: 3975200 7.61324 -13.1062 25.4256 -13.1062 -23.8427 6.86146 25.4256 6.86154 -11.4083 GPRESSAVG: 3975200 8.32038 -14.2977 27.3966 -9.91461 -22.9987 7.35878 25.8532 5.34556 -12.3767 TIMING: 3975200 CPU: 12624.7, 0.00314434/step Wall: 12624.7, 0.00314434/step, 0.895087 hours remaining, 241.839844 MB of memory in use. ENERGY: 3975200 3964.0504 20745.5996 14390.5851 244.0085 -203425.7097 2457.0858 0.0000 0.0000 51700.4867 -109923.8935 297.1234 -161624.3803 -109564.9725 298.6124 65.7432 94.0502 759285.4384 -9.2126 -9.0183 PRESSURE: 3975400 200.599 11.1809 216.749 11.1812 120.235 57.0103 216.749 57.01 270.325 GPRESSURE: 3975400 284.437 45.8914 139.251 59.9995 138.804 18.1908 134.227 -22.6489 245.072 PRESSAVG: 3975400 1.50661 -12.7176 47.8296 -12.7176 3.62797 15.2235 47.8296 15.2235 16.95 GPRESSAVG: 3975400 2.4523 -11.218 46.187 -13.3642 1.65896 14.2182 48.5491 13.9082 18.1339 TIMING: 3975400 CPU: 12625.3, 0.00317337/step Wall: 12625.3, 0.00317337/step, 0.903175 hours remaining, 241.839844 MB of memory in use. ENERGY: 3975400 3970.7572 20645.9284 14414.6168 233.8621 -203612.6008 2551.5374 0.0000 0.0000 51987.9784 -109807.9206 298.7756 -161795.8990 -109448.2609 298.9799 197.0528 222.7709 760110.3935 7.3615 7.4151 PRESSURE: 3975600 442.256 -172.572 -359.118 -172.571 414.44 65.6019 -359.118 65.602 330.556 GPRESSURE: 3975600 519.35 -134.576 -411.224 -157.445 366.43 17.5896 -392.543 83.0797 365.283 PRESSAVG: 3975600 -70.7088 -47.8581 -39.0719 -47.8581 94.2247 -26.6018 -39.0719 -26.6017 -14.9808 GPRESSAVG: 3975600 -71.9108 -48.0439 -39.2642 -49.1073 95.467 -26.2528 -39.7165 -26.2253 -15.8223 TIMING: 3975600 CPU: 12625.9, 0.003153/step Wall: 12625.9, 0.003153/step, 0.897205 hours remaining, 241.839844 MB of memory in use. ENERGY: 3975600 3979.4291 20624.7448 14440.1924 223.9681 -204379.1967 3070.8614 0.0000 0.0000 52109.0726 -109930.9283 299.4716 -162040.0009 -109582.7444 299.0348 395.7509 417.0212 758725.1560 2.8450 2.5780 PRESSURE: 3975800 -268.391 -280.36 -82.4994 -280.36 -335.329 -132.511 -82.4989 -132.511 348.58 GPRESSURE: 3975800 -260.449 -119.315 -194.317 -135.388 -212.288 -112.3 -203.387 -145.876 309.55 PRESSAVG: 3975800 -21.4166 -49.2767 -38.363 -49.2767 3.49225 -28.08 -38.363 -28.08 10.6164 GPRESSAVG: 3975800 -21.9386 -49.4799 -37.8246 -48.2056 4.07477 -27.5841 -39.2583 -26.6671 10.1473 TIMING: 3975800 CPU: 12626.6, 0.00315311/step Wall: 12626.6, 0.00315311/step, 0.89706 hours remaining, 241.839844 MB of memory in use. ENERGY: 3975800 3972.4565 20409.5039 14473.2335 256.7820 -203435.5580 2306.0650 0.0000 0.0000 52186.7131 -109830.8040 299.9178 -162017.5170 -109458.9000 298.7439 -85.0468 -54.3959 761925.9427 -2.4360 -2.5722 PRESSURE: 3976000 -385.064 69.3813 -218.766 69.381 -62.6528 3.46065 -218.766 3.46122 24.3675 GPRESSURE: 3976000 -344.676 -49.9814 -202.178 109.55 -9.26777 -22.8137 -82.1451 18.5513 -1.50311 PRESSAVG: 3976000 -16.016 -4.14637 -45.7937 -4.14633 15.0446 0.599189 -45.7937 0.599214 -20.4281 GPRESSAVG: 3976000 -14.7378 -2.87319 -45.0317 -4.01716 13.5687 0.969062 -44.7855 0.441777 -20.5485 TIMING: 3976000 CPU: 12627.2, 0.00315872/step Wall: 12627.2, 0.00315872/step, 0.898481 hours remaining, 241.839844 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: 3976000 3981.9882 20618.0157 14389.6261 246.3208 -203353.1438 2376.5962 0.0000 0.0000 51792.7707 -109947.8263 297.6538 -161740.5969 -109586.7182 299.1674 -141.1164 -118.4823 761471.9231 -7.1332 -7.2392 PRESSURE: 3976200 -102.782 26.8098 -184.915 26.8089 -180.411 -67.9374 -184.914 -67.9368 273.397 GPRESSURE: 3976200 -29.2754 -117.262 -195.867 -1.8392 -98.7671 -113.67 -271.909 -102.193 206.438 PRESSAVG: 3976200 -29.2887 -23.8105 14.0825 -23.8105 -11.2112 -3.54721 14.0825 -3.54721 -6.54339 GPRESSAVG: 3976200 -29.8982 -25.6519 14.6159 -23.7002 -10.9272 -4.26062 13.4974 -5.61362 -6.28049 TIMING: 3976200 CPU: 12627.8, 0.00315704/step Wall: 12627.8, 0.00315703/step, 0.897826 hours remaining, 241.839844 MB of memory in use. ENERGY: 3976200 3975.1241 20535.0995 14509.6091 237.1621 -203418.6584 2358.4412 0.0000 0.0000 51789.0934 -110014.1290 297.6326 -161803.2223 -109663.6178 298.6204 -3.2653 26.1319 761616.5539 -15.6811 -15.7020 LDB: ============= START OF LOAD BALANCING ============== 12640.3 LDB: ============== END OF LOAD BALANCING =============== 12640.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12640.3 LDB: ============= START OF LOAD BALANCING ============== 12640.6 LDB: Largest compute 7073 load 0.034670 is 17.7% of average load 0.195408 LDB: Average compute 0.004385 is 2.2% of average load 0.195408 LDB: TIME 12640.6 LOAD: AVG 0.195408 MAX 0.214758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 12640.6 LOAD: AVG 0.195408 MAX 0.214758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 12640.6 LOAD: AVG 0.195408 MAX 0.214758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 12640.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12640.6 PRESSURE: 3976400 -166.841 120.229 47.7909 120.229 4.99012 -43.2024 47.7911 -43.2023 -68.4357 GPRESSURE: 3976400 -78.7059 81.3798 18.1369 187.743 23.5384 1.24848 74.1744 5.08971 -102.456 PRESSAVG: 3976400 4.0117 37.6082 -21.419 37.6082 17.6759 -11.2984 -21.419 -11.2985 1.18175 GPRESSAVG: 3976400 3.70936 38.9021 -21.846 35.5936 16.9193 -10.1947 -21.9974 -10.5427 1.49343 TIMING: 3976400 CPU: 12628.5, 0.00326238/step Wall: 12628.5, 0.00326238/step, 0.927604 hours remaining, 239.121094 MB of memory in use. ENERGY: 3976400 4025.8212 20591.0346 14473.0527 238.3402 -203718.0428 2470.5724 0.0000 0.0000 52077.2622 -109841.9596 299.2887 -161919.2217 -109483.2595 299.1618 -76.7623 -52.5411 760074.0667 7.6231 7.3740 PRESSURE: 3976600 1.84579 17.6966 159.961 17.6966 -61.9385 134.898 159.96 134.899 -542.092 GPRESSURE: 3976600 45.1124 159.649 129.579 31.299 20.4817 149.744 138.042 60.9057 -596.434 PRESSAVG: 3976600 -32.3208 56.801 28.9724 56.801 -4.11027 -29.8337 28.9725 -29.8337 0.116141 GPRESSAVG: 3976600 -32.0835 57.8766 28.0377 58.1808 -3.23059 -28.169 29.8787 -29.8442 -1.72235 TIMING: 3976600 CPU: 12629.1, 0.00317573/step Wall: 12629.1, 0.00317573/step, 0.902791 hours remaining, 239.324219 MB of memory in use. ENERGY: 3976600 4002.9175 20652.6018 14475.1990 261.3058 -203369.9555 2207.1188 0.0000 0.0000 52014.6741 -109756.1385 298.9290 -161770.8126 -109389.0840 299.1271 -200.7282 -176.9466 759131.6023 -12.1050 -12.3455 PRESSURE: 3976800 118.133 -34.0405 -40.0977 -34.0403 -144.576 -75.2951 -40.098 -75.2949 -19.2552 GPRESSURE: 3976800 203.537 -1.13638 -17.8904 -4.26764 -111.992 61.2234 -12.215 61.1205 -45.5227 PRESSAVG: 3976800 21.8556 -31.844 77.0268 -31.844 11.4338 21.2263 77.0268 21.2263 -1.58609 GPRESSAVG: 3976800 21.6745 -33.2703 75.6589 -30.9304 10.4133 18.862 76.8397 21.5562 -0.43277 TIMING: 3976800 CPU: 12629.7, 0.00314656/step Wall: 12629.7, 0.00314656/step, 0.894323 hours remaining, 239.324219 MB of memory in use. ENERGY: 3976800 3987.7460 20609.2482 14492.6240 237.0218 -203464.8379 2543.8161 0.0000 0.0000 51993.1329 -109601.2488 298.8052 -161594.3817 -109244.9816 299.7979 -15.2327 15.3409 759910.1857 10.5678 10.5517 PRESSURE: 3977000 68.6236 43.6139 -10.6671 43.6139 217.661 -116.839 -10.6666 -116.84 292.228 GPRESSURE: 3977000 127.537 32.3645 3.96973 25.0423 230.444 -77.2894 61.7634 -194.095 303.321 PRESSAVG: 3977000 -21.4668 6.55747 17.6248 6.55745 1.88328 0.927365 17.6247 0.927436 -1.19479 GPRESSAVG: 3977000 -20.7467 5.27761 16.7024 5.66889 2.34632 1.36575 20.6934 2.13089 -2.25902 TIMING: 3977000 CPU: 12630.4, 0.00315568/step Wall: 12630.4, 0.00315568/step, 0.896739 hours remaining, 239.324219 MB of memory in use. ENERGY: 3977000 3947.6816 20522.2445 14377.1970 242.1946 -203387.0837 2585.5820 0.0000 0.0000 52199.9067 -109512.2773 299.9936 -161712.1840 -109135.2340 299.5467 192.8376 220.4338 761284.0508 -6.9261 -6.8865 PRESSURE: 3977200 -152.366 132.519 -251.261 132.519 -306.442 -111.525 -251.261 -111.525 -67.0199 GPRESSURE: 3977200 -79.7089 190.154 -136.652 79.7116 -301.976 -111.798 -298.805 26.2576 -49.3392 PRESSAVG: 3977200 -19.2524 15.2044 -17.1512 15.2044 24.6701 38.1636 -17.1512 38.1635 17.4356 GPRESSAVG: 3977200 -21.1513 16.3557 -15.6635 15.019 25.3727 37.7422 -19.6548 37.6748 18.0534 TIMING: 3977200 CPU: 12631, 0.00316296/step Wall: 12631, 0.00316296/step, 0.898632 hours remaining, 239.324219 MB of memory in use. ENERGY: 3977200 3995.9527 20591.9007 14489.3899 245.3579 -203309.6028 2323.3847 0.0000 0.0000 52178.8340 -109484.7829 299.8725 -161663.6169 -109127.9170 299.8945 -175.2759 -143.6749 760205.7447 7.6178 7.4249 PRESSURE: 3977400 -78.1183 10.0477 -41.7901 10.0476 -364.247 -160.073 -41.7898 -160.074 148.281 GPRESSURE: 3977400 27.0338 57.3736 -32.5368 -22.798 -365.867 -219.475 -72.4856 -205.336 102.845 PRESSAVG: 3977400 52.6805 37.8026 -31.103 37.8026 13.2569 17.6642 -31.103 17.6643 -8.14043 GPRESSAVG: 3977400 53.4537 37.5691 -30.478 40.199 12.9381 18.176 -31.4127 19.8404 -8.25046 TIMING: 3977400 CPU: 12631.6, 0.00316131/step Wall: 12631.6, 0.00316131/step, 0.897988 hours remaining, 239.324219 MB of memory in use. ENERGY: 3977400 4034.9480 20542.3527 14501.3548 239.9793 -203280.0928 2390.0046 0.0000 0.0000 52200.7911 -109370.6623 299.9987 -161571.4534 -109006.8155 299.4881 -98.0279 -78.6629 759697.0017 19.2657 19.3805 PRESSURE: 3977600 -319.605 -104.386 197.506 -104.386 274.528 91.6055 197.505 91.6042 310.664 GPRESSURE: 3977600 -232.343 -160.791 234.813 -52.6298 276.466 58.9877 205.293 100.064 312.99 PRESSAVG: 3977600 -0.56211 20.1522 12.0975 20.1522 23.9932 1.64427 12.0976 1.6442 0.991061 GPRESSAVG: 3977600 0.587499 19.6821 12.7556 18.8654 22.5514 1.34804 11.156 -1.52125 1.78904 TIMING: 3977600 CPU: 12632.3, 0.00316238/step Wall: 12632.3, 0.00316238/step, 0.898115 hours remaining, 239.324219 MB of memory in use. ENERGY: 3977600 4004.2925 20618.5362 14472.9136 257.0979 -203189.7144 2351.8166 0.0000 0.0000 52233.9217 -109251.1360 300.1891 -161485.0577 -108894.3186 299.9174 88.5291 119.0376 761301.9761 8.1407 8.3093 PRESSURE: 3977800 97.3519 -62.4739 -268.322 -62.4744 179.96 92.5209 -268.323 92.5218 74.487 GPRESSURE: 3977800 143.771 55.0851 -317.584 -140.015 172.854 84.8857 -229.568 53.7293 113.673 PRESSAVG: 3977800 12.7462 2.99909 11.4247 2.99907 34.1459 30.1608 11.4246 30.1609 9.43255 GPRESSAVG: 3977800 12.522 3.63393 10.1217 1.68067 34.6484 30.9625 12.519 30.5999 8.71254 TIMING: 3977800 CPU: 12632.9, 0.00314534/step Wall: 12632.9, 0.00314534/step, 0.893103 hours remaining, 239.324219 MB of memory in use. ENERGY: 3977800 4009.0552 20461.9312 14376.2138 225.2450 -203324.4553 2592.1792 0.0000 0.0000 52237.8466 -109421.9843 300.2116 -161659.8309 -109047.9551 300.1149 117.2662 143.4326 761448.4228 18.7749 18.6276 PRESSURE: 3978000 -263.53 -59.2799 77.4557 -59.2804 -429.401 -78.6744 77.4563 -78.675 -402.423 GPRESSURE: 3978000 -216.586 -66.1346 38.5291 -3.79681 -346.94 -85.6478 157.043 -96.2387 -432.387 PRESSAVG: 3978000 51.3292 12.2675 -2.68669 12.2676 -13.7477 -0.578681 -2.68671 -0.57862 13.594 GPRESSAVG: 3978000 51.6269 12.1744 -1.91432 12.47 -13.1993 -0.282958 -2.44809 -0.77721 12.7752 TIMING: 3978000 CPU: 12633.5, 0.00313615/step Wall: 12633.5, 0.00313615/step, 0.890319 hours remaining, 239.324219 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: 3978000 4033.3913 20546.1486 14440.8660 250.4336 -203209.2664 2447.1647 0.0000 0.0000 52181.2113 -109310.0509 299.8861 -161491.2622 -108944.1904 299.8705 -365.1181 -331.9710 761032.2784 17.0585 17.0676 PRESSURE: 3978200 172.242 -9.73493 -297.445 -9.73443 289.267 85.405 -297.446 85.4048 -187.474 GPRESSURE: 3978200 240.263 99.6633 -248.626 -29.11 270.625 117.328 -159.51 183.585 -160.052 PRESSAVG: 3978200 46.653 -18.6018 -27.3588 -18.6019 -13.193 38.0801 -27.3588 38.08 -4.14833 GPRESSAVG: 3978200 44.592 -17.5636 -25.9378 -18.8105 -13.7878 37.6973 -26.4216 39.0398 -2.09365 TIMING: 3978200 CPU: 12634.2, 0.00314092/step Wall: 12634.2, 0.00314092/step, 0.891499 hours remaining, 239.324219 MB of memory in use. ENERGY: 3978200 3977.7387 20599.7750 14415.8309 246.7988 -203303.1474 2573.9988 0.0000 0.0000 52286.5445 -109202.4606 300.4915 -161489.0051 -108835.7875 300.1003 91.3449 116.9452 760867.1146 9.7705 9.5702 PRESSURE: 3978400 -232.303 -121.851 -195.237 -121.851 -494.201 -42.0215 -195.237 -42.0218 350.436 GPRESSURE: 3978400 -276.021 -81.6501 -154.603 -80.7252 -342.301 10.2269 -39.8948 -246.668 320.103 PRESSAVG: 3978400 32.7968 71.6483 3.92837 71.6483 -4.26608 28.6944 3.92836 28.6944 -0.727779 GPRESSAVG: 3978400 34.272 71.6904 1.73218 70.2917 -4.91015 28.8484 5.91982 28.0493 -1.64635 TIMING: 3978400 CPU: 12634.8, 0.00315299/step Wall: 12634.8, 0.00315299/step, 0.894748 hours remaining, 239.324219 MB of memory in use. ENERGY: 3978400 3972.5105 20581.4152 14414.4508 228.1905 -202998.0061 2364.2501 0.0000 0.0000 52177.0534 -109260.1356 299.8622 -161437.1890 -108900.4144 299.9409 -125.3557 -99.4067 761296.1309 9.2677 9.2385 PRESSURE: 3978600 -113.477 207.812 159.975 207.812 -307.983 -197.249 159.975 -197.249 -16.053 GPRESSURE: 3978600 -104.142 252.134 143.549 263.359 -297.546 -169.851 34.1844 -200.929 41.6612 PRESSAVG: 3978600 -24.3546 -6.53146 13.041 -6.53144 -13.4452 1.28338 13.041 1.28338 11.8357 GPRESSAVG: 3978600 -25.2614 -6.0127 13.7059 -5.06782 -13.1605 1.76825 9.84304 2.48326 12.6496 TIMING: 3978600 CPU: 12635.4, 0.0031286/step Wall: 12635.4, 0.0031286/step, 0.887653 hours remaining, 239.324219 MB of memory in use. ENERGY: 3978600 3934.7904 20513.3844 14436.6451 238.3520 -202894.9508 2306.5911 0.0000 0.0000 52193.4921 -109271.6957 299.9567 -161465.1878 -108907.8636 299.6544 -145.8375 -120.0088 761192.0996 -8.6547 -8.5908 PRESSURE: 3978800 34.4296 -149.75 173.943 -149.749 -2.16753 14.4187 173.944 14.4189 -720.972 GPRESSURE: 3978800 82.4103 -220.86 71.5623 -29.36 41.4106 18.3201 133.551 -71.7947 -732.412 PRESSAVG: 3978800 -2.09941 29.1861 1.56531 29.1862 -17.8292 -7.83799 1.56525 -7.83797 3.83938 GPRESSAVG: 3978800 -1.71752 29.9833 0.597615 28.9178 -16.969 -8.29771 0.573478 -8.52725 2.89528 TIMING: 3978800 CPU: 12636, 0.00314667/step Wall: 12636, 0.00314667/step, 0.892604 hours remaining, 239.324219 MB of memory in use. ENERGY: 3978800 4026.5958 20472.0293 14401.7827 252.9152 -202985.6662 2272.2717 0.0000 0.0000 52297.6119 -109262.4595 300.5551 -161560.0714 -108888.4545 299.6974 -229.5701 -202.8635 763598.7380 -5.3631 -5.2638 PRESSURE: 3979000 -121.251 -160.216 93.9383 -160.216 -22.2219 83.1377 93.9378 83.1378 197.771 GPRESSURE: 3979000 -139.51 -252.521 193.726 -173.996 -35.4442 39.912 178.129 90.8293 284.248 PRESSAVG: 3979000 1.33785 -16.7917 45.7951 -16.7917 -3.00223 32.7072 45.7951 32.7072 17.5027 GPRESSAVG: 3979000 1.7661 -18.7747 47.3387 -15.7129 -2.15788 31.2958 45.9126 34.3694 16.5234 TIMING: 3979000 CPU: 12636.7, 0.00315931/step Wall: 12636.7, 0.00315931/step, 0.896015 hours remaining, 239.324219 MB of memory in use. ENERGY: 3979000 4035.5340 20646.8174 14456.3603 242.6774 -202838.1880 2408.6533 0.0000 0.0000 51958.0860 -109090.0596 298.6038 -161048.1455 -108729.2060 300.3115 18.0993 36.4312 763652.9463 5.2794 5.3772 PRESSURE: 3979200 27.9558 12.4216 176.861 12.4222 -78.0261 -45.1444 176.861 -45.1444 -165.379 GPRESSURE: 3979200 149.647 15.8019 121.257 35.7615 -76.8549 -21.2322 37.1431 -11.6485 -209.966 PRESSAVG: 3979200 46.9001 -34.9227 8.45496 -34.9226 -96.4674 15.0866 8.45498 15.0866 -9.12787 GPRESSAVG: 3979200 48.0433 -34.7691 7.79612 -34.3012 -97.1513 16.6905 7.6596 14.2055 -9.19789 TIMING: 3979200 CPU: 12637.3, 0.00315247/step Wall: 12637.3, 0.00315247/step, 0.893901 hours remaining, 239.324219 MB of memory in use. ENERGY: 3979200 4075.2911 20561.3200 14381.9654 259.2471 -203283.1177 2790.5542 0.0000 0.0000 52247.6610 -108967.0790 300.2680 -161214.7399 -108604.2124 300.1618 -71.8163 -45.7249 762135.7911 -19.5651 -19.4353 PRESSURE: 3979400 59.9572 87.9445 -0.0249939 87.9447 -52.7875 47.8428 -0.0243265 47.8421 -347.947 GPRESSURE: 3979400 79.641 100.017 -86.6442 14.6582 -54.7129 56.2707 22.7035 103.328 -293.876 PRESSAVG: 3979400 41.3583 -27.3841 37.2848 -27.3841 -59.9602 42.4978 37.2848 42.4978 -26.0367 GPRESSAVG: 3979400 41.1999 -28.6797 38.6962 -27.193 -60.3804 41.3337 40.1118 43.3334 -25.3433 TIMING: 3979400 CPU: 12637.9, 0.00314544/step Wall: 12637.9, 0.00314544/step, 0.891732 hours remaining, 239.324219 MB of memory in use. ENERGY: 3979400 4057.0856 20634.4502 14425.2843 235.0625 -203169.8679 2543.5959 0.0000 0.0000 52096.8512 -109177.5382 299.4013 -161274.3894 -108819.8037 300.2017 -113.5925 -89.6493 763033.6783 -14.8795 -14.8413 PRESSURE: 3979600 -149.814 -134.029 97.9648 -134.03 -89.708 -25.08 97.964 -25.0805 302.597 GPRESSURE: 3979600 -108.191 -88.4078 64.2886 -74.9942 -46.7363 -32.9275 123.356 -18.8314 294.207 PRESSAVG: 3979600 5.2068 20.612 3.71818 20.612 -46.7436 44.4593 3.71813 44.4593 26.3551 GPRESSAVG: 3979600 3.95835 22.2752 3.36731 18.516 -45.7779 45.377 0.920217 42.6361 27.3284 TIMING: 3979600 CPU: 12638.6, 0.00316021/step Wall: 12638.6, 0.00316021/step, 0.895743 hours remaining, 239.324219 MB of memory in use. ENERGY: 3979600 3956.0092 20410.0668 14459.4813 253.4898 -203111.5799 2540.2788 0.0000 0.0000 52085.1790 -109407.0749 299.3342 -161492.2540 -109053.5947 299.7162 21.0250 46.4267 763196.9594 -5.0606 -4.8304 PRESSURE: 3979800 -39.7812 -103.454 84.1482 -103.454 -272.466 -90.3964 84.1477 -90.3976 -207.468 GPRESSURE: 3979800 -46.554 -1.22963 -11.3443 -28.3384 -189.416 -68.7155 98.4155 -102.98 -181.65 PRESSAVG: 3979800 35.231 14.148 -23.8196 14.1479 -33.789 7.16864 -23.8196 7.1686 13.1619 GPRESSAVG: 3979800 37.4936 13.5873 -24.8031 14.7853 -34.6861 6.21705 -22.1247 7.75845 12.5751 TIMING: 3979800 CPU: 12639.2, 0.00315779/step Wall: 12639.2, 0.00315779/step, 0.894882 hours remaining, 239.324219 MB of memory in use. ENERGY: 3979800 3979.9591 20527.9361 14430.4940 218.5096 -202891.4928 2358.6710 0.0000 0.0000 52165.4876 -109210.4355 299.7958 -161375.9231 -108850.7576 299.6239 -173.2384 -139.2063 762742.9068 4.8679 5.1275 PRESSURE: 3980000 222.51 204.939 50.1021 204.939 74.1965 31.6888 50.1022 31.6885 178.357 GPRESSURE: 3980000 234.626 165.165 22.4783 92.807 134.966 107.747 97.6191 51.4377 185.937 PRESSAVG: 3980000 -17.3742 30.7784 24.5107 30.7784 38.4188 15.8275 24.5107 15.8274 -2.6199 GPRESSAVG: 3980000 -17.9098 31.5188 22.7167 31.9519 38.692 16.2375 25.0584 15.0738 -2.16848 TIMING: 3980000 CPU: 12639.8, 0.00314215/step Wall: 12639.8, 0.00314215/step, 0.890275 hours remaining, 239.324219 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: 3980000 3975.2120 20515.4013 14469.2261 238.9478 -203306.6514 2790.6408 0.0000 0.0000 51944.6053 -109372.6181 298.5264 -161317.2233 -109015.5757 299.7606 158.3546 185.1764 761204.8140 6.1416 6.2046 PRESSURE: 3980200 -38.7226 -13.0183 66.3395 -13.0185 194.529 108.163 66.3398 108.163 -48.2154 GPRESSURE: 3980200 -49.8739 -2.76247 92.4281 17.8934 248.172 125.108 47.7747 28.9096 -7.42162 PRESSAVG: 3980200 4.46818 -12.3595 -26.2627 -12.3595 31.8636 -23.3637 -26.2626 -23.3637 -13.7265 GPRESSAVG: 3980200 4.86667 -11.2917 -25.8427 -12.5489 31.4077 -22.7279 -26.0907 -22.4943 -12.991 TIMING: 3980200 CPU: 12640.5, 0.00316822/step Wall: 12640.5, 0.00316822/step, 0.897487 hours remaining, 239.324219 MB of memory in use. ENERGY: 3980200 3950.6811 20347.6651 14432.2803 264.2116 -203387.2475 2601.6972 0.0000 0.0000 52198.1509 -109592.5613 299.9835 -161790.7123 -109225.4689 299.4388 35.8636 63.6256 762514.9318 7.5351 7.7611 LDB: ============= START OF LOAD BALANCING ============== 12652.9 LDB: ============== END OF LOAD BALANCING =============== 12652.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12652.9 LDB: ============= START OF LOAD BALANCING ============== 12653.2 LDB: Largest compute 7067 load 0.033658 is 17.2% of average load 0.195376 LDB: Average compute 0.004389 is 2.2% of average load 0.195376 LDB: TIME 12653.2 LOAD: AVG 0.195376 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 12653.2 LOAD: AVG 0.195376 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 12653.2 LOAD: AVG 0.195376 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 12653.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12653.2 PRESSURE: 3980400 235.472 -70.6197 138.575 -70.619 -223.503 39.5517 138.574 39.55 -353.384 GPRESSURE: 3980400 204.599 -14.6828 183.782 -50.6936 -109.692 34.3457 186.393 119.035 -355.749 PRESSAVG: 3980400 35.8965 -81.5624 31.5503 -81.5624 -4.27782 15.3112 31.5503 15.3112 8.33028 GPRESSAVG: 3980400 34.9856 -79.5251 33.3525 -80.9259 -2.78786 14.2766 31.4764 14.6908 7.82268 TIMING: 3980400 CPU: 12641.1, 0.00324626/step Wall: 12641.1, 0.00324626/step, 0.919413 hours remaining, 241.320312 MB of memory in use. ENERGY: 3980400 4041.9907 20415.2741 14361.2392 251.5198 -203339.8432 2576.8851 0.0000 0.0000 52073.3036 -109619.6307 299.2660 -161692.9343 -109247.2160 299.3625 -113.8050 -86.9475 759717.3663 13.3163 13.3402 PRESSURE: 3980600 -435.922 -39.914 -212.442 -39.9133 -165.115 -44.626 -212.441 -44.626 -123.858 GPRESSURE: 3980600 -359.35 -10.6802 -173.722 -35.9387 -152.913 -23.6296 -266.846 32.7572 -128.394 PRESSAVG: 3980600 -22.3783 -18.1797 -7.93956 -18.1797 43.087 3.40937 -7.93949 3.40927 15.2633 GPRESSAVG: 3980600 -22.5078 -22.4537 -8.73262 -17.727 43.5678 4.9654 -8.44053 4.15404 15.2742 TIMING: 3980600 CPU: 12641.7, 0.00316637/step Wall: 12641.7, 0.00316637/step, 0.896609 hours remaining, 241.523438 MB of memory in use. ENERGY: 3980600 3998.5281 20374.7483 14391.9364 231.4422 -202828.3439 2170.0936 0.0000 0.0000 52115.1758 -109546.4195 299.5066 -161661.5953 -109185.5227 299.4107 -241.6319 -213.5525 761710.0529 11.9907 12.1114 PRESSURE: 3980800 269.744 -169.508 -32.1423 -169.509 -124.459 -2.22507 -32.1418 -2.22501 -61.1277 GPRESSURE: 3980800 264.493 -162.233 -25.5886 -69.1379 -63.9624 2.49805 -3.57282 50.992 -36.1228 PRESSAVG: 3980800 -2.94833 -3.51481 31.0301 -3.51487 11.0942 2.87207 31.0301 2.87202 -0.0861821 GPRESSAVG: 3980800 -1.432 -1.07764 30.5182 -5.22871 9.14013 1.72329 32.0716 3.54895 0.28503 TIMING: 3980800 CPU: 12642.4, 0.00315194/step Wall: 12642.4, 0.00315194/step, 0.89235 hours remaining, 241.523438 MB of memory in use. ENERGY: 3980800 3956.3675 20693.9211 14479.9291 255.2882 -203199.9172 2350.3232 0.0000 0.0000 52011.2506 -109452.8374 298.9094 -161464.0880 -109096.3897 300.0832 28.0525 54.8026 759694.7109 2.6866 2.6644 PRESSURE: 3981000 -83.0134 74.4729 -70.6656 74.4728 180.686 17.7623 -70.6651 17.7624 20.1395 GPRESSURE: 3981000 3.1181 20.8831 -122.768 156.679 187.12 72.3792 -0.846722 -48.3532 5.61167 PRESSAVG: 3981000 59.6068 -26.0866 -13.2228 -26.0866 -60.301 2.8072 -13.2227 2.80725 22.3387 GPRESSAVG: 3981000 58.5147 -27.7021 -13.5427 -24.2101 -58.627 4.01472 -12.5809 1.09646 22.2721 TIMING: 3981000 CPU: 12643, 0.0031345/step Wall: 12643, 0.0031345/step, 0.887238 hours remaining, 241.523438 MB of memory in use. ENERGY: 3981000 3936.9892 20578.5232 14449.5244 245.5978 -203056.1906 2495.8903 0.0000 0.0000 51756.3965 -109593.2691 297.4447 -161349.6656 -109235.6373 299.7496 39.2707 65.2831 759100.0476 7.2148 7.3866 PRESSURE: 3981200 83.7455 -64.9191 195.655 -64.9194 -116.689 -278.588 195.655 -278.588 -218.033 GPRESSURE: 3981200 126.78 -33.2533 222.816 -93.6608 -132.062 -128.823 142.757 -244.897 -157.248 PRESSAVG: 3981200 6.10974 -57.8794 19.7611 -57.8794 -9.65048 60.0441 19.7611 60.0441 -8.02967 GPRESSAVG: 3981200 7.18396 -58.2453 20.5741 -58.382 -10.9026 59.7915 16.7074 59.9378 -8.18219 TIMING: 3981200 CPU: 12643.6, 0.00314222/step Wall: 12643.6, 0.00314222/step, 0.889249 hours remaining, 241.523438 MB of memory in use. ENERGY: 3981200 4012.0238 20381.4807 14407.6678 246.0137 -203214.9784 2254.1727 0.0000 0.0000 52101.1007 -109812.5189 299.4257 -161913.6196 -109444.0644 299.3119 -83.6589 -54.1767 759131.6319 -3.8568 -3.9669 PRESSURE: 3981400 -68.0665 -21.3601 36.9386 -21.3603 -142.673 25.8549 36.9388 25.8559 -91.2718 GPRESSURE: 3981400 -86.9169 -57.2085 36.9225 -21.752 9.61671 18.7145 174.662 92.2841 -123.722 PRESSAVG: 3981400 -4.32605 -30.1474 52.5838 -30.1474 -7.53065 -17.3343 52.5838 -17.3343 -10.1954 GPRESSAVG: 3981400 -5.22505 -29.6462 54.3284 -30.2092 -7.70471 -18.0517 51.9795 -15.005 -9.46149 TIMING: 3981400 CPU: 12644.3, 0.00313494/step Wall: 12644.3, 0.00313494/step, 0.887014 hours remaining, 241.523438 MB of memory in use. ENERGY: 3981400 3987.0509 20436.2768 14409.8974 250.6191 -203265.2170 2556.6163 0.0000 0.0000 51891.2168 -109733.5399 298.2195 -161624.7567 -109365.7813 299.0980 -100.6704 -67.0074 758661.6857 -7.3507 -7.4638 PRESSURE: 3981600 51.4655 -58.2075 89.2902 -58.2066 -422.63 251.624 89.2912 251.624 -41.264 GPRESSURE: 3981600 71.6184 -48.757 161.341 -26.1047 -359.977 193.102 -112.082 158.704 -39.972 PRESSAVG: 3981600 43.9192 -33.3933 9.76904 -33.3933 -52.2031 41.9555 9.76908 41.9556 14.4515 GPRESSAVG: 3981600 43.4101 -33.3978 7.76154 -33.2467 -50.0961 42.0206 10.8648 40.9881 12.4062 TIMING: 3981600 CPU: 12644.9, 0.00315334/step Wall: 12644.9, 0.00315334/step, 0.892045 hours remaining, 241.523438 MB of memory in use. ENERGY: 3981600 4037.7239 20472.5614 14415.0285 249.4391 -202741.6615 2077.4229 0.0000 0.0000 51928.2956 -109561.1902 298.4326 -161489.4858 -109192.1761 299.6383 -137.4762 -109.4436 760204.6787 2.0558 1.9068 PRESSURE: 3981800 -231.378 -99.1838 -270.144 -99.1834 -144.526 -120.022 -270.144 -120.023 126.273 GPRESSURE: 3981800 -93.0817 -133.181 -241.477 -12.6884 -146.806 -66.2442 -136.079 -105.771 67.3341 PRESSAVG: 3981800 48.8256 12.4793 3.33206 12.4794 -22.1498 53.2536 3.33205 53.2536 1.90473 GPRESSAVG: 3981800 49.2904 12.7561 4.84567 11.6514 -23.6498 52.2495 2.62699 54.6701 2.47226 TIMING: 3981800 CPU: 12645.5, 0.00315479/step Wall: 12645.5, 0.00315479/step, 0.89228 hours remaining, 241.523438 MB of memory in use. ENERGY: 3981800 3897.0113 20603.4420 14480.2437 236.0660 -202984.2368 2419.3051 0.0000 0.0000 51902.0146 -109446.1541 298.2816 -161348.1687 -109080.6652 299.4370 -83.2104 -57.5180 759633.5599 9.5268 9.3710 PRESSURE: 3982000 197.302 148.862 267.145 148.861 83.0538 -119.601 267.145 -119.601 -121.372 GPRESSURE: 3982000 245.988 200.294 130.333 90.9358 113.545 -50.7967 217.01 -24.1034 -117.227 PRESSAVG: 3982000 4.39236 10.4066 56.8514 10.4066 -65.3867 -48.7345 56.8514 -48.7345 -4.73829 GPRESSAVG: 3982000 3.43061 9.67441 55.7517 10.9637 -64.6441 -47.0559 57.6946 -51.1182 -4.29519 TIMING: 3982000 CPU: 12646.1, 0.00315018/step Wall: 12646.1, 0.00315018/step, 0.890802 hours remaining, 241.523438 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: 3982000 3909.2391 20621.1917 14391.5544 238.4572 -203105.0182 2565.1162 0.0000 0.0000 51953.6939 -109425.7656 298.5786 -161379.4595 -109066.8361 299.2954 52.9945 80.7688 759541.9336 -21.9109 -21.8362 PRESSURE: 3982200 -164.937 -144.674 -37.1068 -144.673 230.249 -83.1648 -37.107 -83.1647 133.912 GPRESSURE: 3982200 -47.6869 -85.1281 -83.3443 -162.242 250.877 -14.0319 -49.8621 -146.132 72.1634 PRESSAVG: 3982200 46.0377 16.3136 -16.1019 16.3137 -15.5834 -21.0794 -16.102 -21.0794 9.148 GPRESSAVG: 3982200 46.8609 17.3365 -16.7387 14.5291 -17.0704 -20.8966 -16.6446 -23.2421 9.64056 TIMING: 3982200 CPU: 12646.8, 0.00313996/step Wall: 12646.8, 0.00313996/step, 0.887736 hours remaining, 241.523438 MB of memory in use. ENERGY: 3982200 4054.8353 20615.2023 14433.9180 244.4991 -203963.3802 2900.1438 0.0000 0.0000 52316.4561 -109398.3257 300.6634 -161714.7818 -109033.2580 299.8287 66.4082 91.7846 760753.3909 13.2008 13.1437 PRESSURE: 3982400 -58.6975 -41.726 88.8122 -41.7265 -119.57 33.5724 88.8126 33.5722 -124.379 GPRESSURE: 3982400 -16.5992 68.7839 -19.0034 -38.8276 -71.7816 0.890281 110.656 100.649 -112.113 PRESSAVG: 3982400 15.7102 10.7571 -8.11559 10.7571 -26.314 1.62237 -8.11555 1.62237 9.32971 GPRESSAVG: 3982400 16.2874 11.5443 -6.81975 10.005 -25.3706 -0.209835 -8.42621 5.56691 8.44874 TIMING: 3982400 CPU: 12647.4, 0.00316091/step Wall: 12647.4, 0.00316091/step, 0.893483 hours remaining, 241.523438 MB of memory in use. ENERGY: 3982400 4062.7800 20591.3676 14424.1373 246.8403 -203059.6961 2515.2202 0.0000 0.0000 51941.6038 -109277.7469 298.5091 -161219.3507 -108910.5302 300.3737 -100.8819 -66.8314 760937.0641 -0.4247 -0.2115 PRESSURE: 3982600 155.797 30.0212 -131.287 30.0208 277.819 115.977 -131.287 115.979 183.591 GPRESSURE: 3982600 171.714 -69.2796 -250.328 79.3627 306.395 86.8965 26.067 86.4489 209.271 PRESSAVG: 3982600 -45.8834 11.8778 60.4537 11.8778 10.3878 4.59464 60.4537 4.59463 6.03722 GPRESSAVG: 3982600 -45.6895 9.62693 59.4532 13.6623 8.88794 4.47447 62.5474 3.87431 6.74674 TIMING: 3982600 CPU: 12648, 0.00314561/step Wall: 12648, 0.00314561/step, 0.888984 hours remaining, 241.523438 MB of memory in use. ENERGY: 3982600 4033.4155 20580.2780 14525.7162 243.5076 -203398.7132 2522.6760 0.0000 0.0000 52086.1929 -109406.9270 299.3401 -161493.1200 -109047.3487 299.5280 205.7357 229.1267 760679.8940 -9.8195 -10.0183 PRESSURE: 3982800 -30.1876 52.8762 -40.4551 52.8762 -89.2562 -75.4638 -40.455 -75.4645 73.8555 GPRESSURE: 3982800 59.6861 66.6546 -56.275 -10.6287 -26.7276 -46.6372 -104.039 -88.1201 0.764995 PRESSAVG: 3982800 -33.0322 21.1257 -6.93316 21.1258 32.701 -33.6904 -6.93309 -33.6904 27.4269 GPRESSAVG: 3982800 -34.6667 21.6957 -5.57029 22.5661 34.7995 -34.1695 -7.87761 -34.935 26.9372 TIMING: 3982800 CPU: 12648.7, 0.00312461/step Wall: 12648.7, 0.00312461/step, 0.882877 hours remaining, 241.523438 MB of memory in use. ENERGY: 3982800 3970.0614 20582.8709 14395.3306 240.4772 -203006.4983 2464.4168 0.0000 0.0000 51995.0861 -109358.2553 298.8165 -161353.3414 -108992.4116 299.7462 -15.1961 11.2412 761227.7075 9.0319 9.0233 PRESSURE: 3983000 231.451 50.5263 2.05709 50.5266 61.229 -251.255 2.05774 -251.257 -298.175 GPRESSURE: 3983000 293.193 -19.2035 14.7994 -52.4683 75.4446 -202.576 74.8872 -213.754 -290.794 PRESSAVG: 3983000 -34.9379 68.8098 29.6747 68.8097 31.9094 -20.2601 29.6747 -20.2601 -22.2717 GPRESSAVG: 3983000 -34.2248 68.4548 30.796 68.0525 30.5859 -20.1185 29.3599 -17.7804 -21.5056 TIMING: 3983000 CPU: 12649.3, 0.00316232/step Wall: 12649.3, 0.00316232/step, 0.893356 hours remaining, 241.523438 MB of memory in use. ENERGY: 3983000 4027.0311 20509.1682 14376.1500 249.1422 -202683.8522 2207.4004 0.0000 0.0000 52185.7070 -109129.2534 299.9120 -161314.9603 -108755.7013 299.9932 -1.8316 25.9479 760746.1312 -8.4334 -8.3815 PRESSURE: 3983200 -92.0151 74.9247 -129.907 74.9249 -146.208 229.875 -129.907 229.874 -16.8413 GPRESSURE: 3983200 -79.5175 146.085 -181.882 47.4466 -150.463 230.712 22.9944 41.6975 52.1809 PRESSAVG: 3983200 -13.795 -6.28251 58.6895 -6.28251 18.0819 -18.9073 58.6895 -18.9074 -0.0578594 GPRESSAVG: 3983200 -13.5522 -5.14185 57.415 -6.4858 18.9198 -18.7707 58.7415 -19.4521 -0.965286 TIMING: 3983200 CPU: 12649.9, 0.00315129/step Wall: 12649.9, 0.00315129/step, 0.890065 hours remaining, 241.523438 MB of memory in use. ENERGY: 3983200 3991.0041 20623.7155 14449.0272 244.0412 -203097.7398 2371.7626 0.0000 0.0000 52109.0707 -109309.1184 299.4715 -161418.1892 -108946.0613 299.9534 -85.0213 -59.2665 761255.7962 1.4097 1.4674 PRESSURE: 3983400 186.689 163.884 -92.1161 163.885 256.765 -221.02 -92.116 -221.02 178.386 GPRESSURE: 3983400 293.924 30.744 -117.763 103.377 222.707 -199.658 -9.56696 -77.2877 198.986 PRESSAVG: 3983400 -15.436 14.146 16.086 14.146 48.6166 3.93471 16.0861 3.93475 -29.6057 GPRESSAVG: 3983400 -16.1028 11.2612 16.5468 14.6183 48.0347 5.28482 16.7165 2.19341 -29.1507 TIMING: 3983400 CPU: 12650.6, 0.0031454/step Wall: 12650.6, 0.0031454/step, 0.888225 hours remaining, 241.523438 MB of memory in use. ENERGY: 3983400 3961.2446 20569.2905 14417.6700 248.6764 -203613.7673 2646.7853 0.0000 0.0000 52405.6632 -109364.4373 301.1761 -161770.1005 -109007.7141 299.9768 207.2804 238.5391 761665.0038 1.1916 0.9271 PRESSURE: 3983600 231.745 151.755 346.923 151.755 -80.8895 30.2042 346.923 30.2038 569.288 GPRESSURE: 3983600 315.798 56.1919 338.891 88.4771 -58.1032 97.84 378.38 80.183 553.67 PRESSAVG: 3983600 21.0408 -4.07683 36.2578 -4.07685 29.2086 -15.4709 36.2578 -15.4709 12.6023 GPRESSAVG: 3983600 21.9563 -1.24764 35.4948 -5.69864 28.8543 -14.9929 38.0591 -14.5634 12.3562 TIMING: 3983600 CPU: 12651.2, 0.00315967/step Wall: 12651.2, 0.00315967/step, 0.892079 hours remaining, 241.523438 MB of memory in use. ENERGY: 3983600 3965.7888 20314.0264 14443.7233 248.3275 -203615.5047 2781.3641 0.0000 0.0000 52141.3252 -109720.9493 299.6569 -161862.2745 -109357.5847 299.7533 240.0476 270.4549 761340.3302 20.9506 21.0556 PRESSURE: 3983800 -128.486 -16.6914 110.848 -16.6906 -159.102 156.081 110.849 156.081 47.848 GPRESSURE: 3983800 -55.1215 -31.8521 100.768 111.488 -101.7 98.2255 93.1286 274.768 11.2509 PRESSAVG: 3983800 3.26559 -39.6424 -14.3488 -39.6424 -1.12673 -12.9872 -14.3487 -12.9872 1.36365 GPRESSAVG: 3983800 3.47399 -39.7184 -13.9384 -38.9111 -1.47836 -13.8755 -17.5435 -11.2788 1.80949 TIMING: 3983800 CPU: 12651.8, 0.00316919/step Wall: 12651.8, 0.00316919/step, 0.894593 hours remaining, 241.523438 MB of memory in use. ENERGY: 3983800 3974.6190 20362.3502 14441.0934 272.2870 -203528.7033 2623.7001 0.0000 0.0000 52233.7342 -109620.9195 300.1880 -161854.6537 -109256.2191 299.0725 -79.9135 -48.5236 761816.9940 1.1675 1.2684 PRESSURE: 3984000 244.612 -92.6026 -2.44372 -92.6027 -52.076 -170.702 -2.44338 -170.701 4.02869 GPRESSURE: 3984000 109.778 -220.088 34.628 -147.327 39.1883 -205.647 19.6969 -159.355 129.466 PRESSAVG: 3984000 40.359 -46.379 -28.8477 -46.3789 -7.96568 36.326 -28.8477 36.326 0.73271 GPRESSAVG: 3984000 39.0687 -46.0384 -29.0659 -48.4319 -8.18313 35.6856 -26.9141 35.7533 2.23668 TIMING: 3984000 CPU: 12652.4, 0.00313118/step Wall: 12652.4, 0.00313118/step, 0.883689 hours remaining, 241.523438 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: 3984000 3972.8922 20540.6384 14428.9117 253.7149 -203008.0310 2302.6168 0.0000 0.0000 51973.1586 -109536.0984 298.6905 -161509.2570 -109191.1575 299.3088 65.5216 92.8108 760988.8598 11.0420 11.0408 PRESSURE: 3984200 19.2743 81.2685 -3.74661 81.2692 7.50221 2.79673 -3.74696 2.79723 28.3767 GPRESSURE: 3984200 7.94918 132.257 -1.32614 203.873 48.6847 108.705 -85.1641 -29.8526 82.9562 PRESSAVG: 3984200 -39.4657 -1.11879 -19.6818 -1.11879 10.8922 -3.23289 -19.6818 -3.23277 -0.242871 GPRESSAVG: 3984200 -39.8599 -2.19012 -18.2082 0.370946 10.8289 -2.30087 -19.9515 -3.93054 0.451728 TIMING: 3984200 CPU: 12653.1, 0.00311857/step Wall: 12653.1, 0.00311857/step, 0.879957 hours remaining, 241.523438 MB of memory in use. ENERGY: 3984200 4001.3169 20414.8574 14418.2149 274.9943 -203332.4004 2381.5840 0.0000 0.0000 52122.9149 -109718.5180 299.5511 -161841.4329 -109360.2434 299.2032 18.3844 46.5300 759593.1486 -9.6054 -9.5264 LDB: ============= START OF LOAD BALANCING ============== 12665.5 LDB: ============== END OF LOAD BALANCING =============== 12665.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12665.5 LDB: ============= START OF LOAD BALANCING ============== 12665.8 LDB: Largest compute 7056 load 0.034788 is 17.8% of average load 0.195365 LDB: Average compute 0.004400 is 2.3% of average load 0.195365 LDB: TIME 12665.8 LOAD: AVG 0.195365 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 12665.8 LOAD: AVG 0.195365 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: TIME 12665.8 LOAD: AVG 0.195365 MAX 0.214044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.391 MB LDB: ============== END OF LOAD BALANCING =============== 12665.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12665.8 PRESSURE: 3984400 40.3032 73.2555 12.6443 73.255 116.228 -141.4 12.6451 -141.4 -248.159 GPRESSURE: 3984400 75.2766 32.3591 -61.511 70.0834 158.087 -79.4951 -37.5658 -146.166 -231.444 PRESSAVG: 3984400 18.428 8.31063 -30.9062 8.3107 51.7486 -22.3307 -30.9061 -22.3308 6.74721 GPRESSAVG: 3984400 19.4041 6.64716 -32.4371 10.9839 53.4026 -22.0445 -32.5514 -21.5546 4.56248 TIMING: 3984400 CPU: 12653.7, 0.00319421/step Wall: 12653.7, 0.00319421/step, 0.901121 hours remaining, 239.835938 MB of memory in use. ENERGY: 3984400 4001.9443 20516.6254 14436.1793 229.5935 -203279.5905 2509.5884 0.0000 0.0000 51840.9038 -109744.7558 297.9304 -161585.6596 -109381.8247 299.0607 -30.5426 0.6399 759487.7306 25.6413 25.7897 PRESSURE: 3984600 103.324 -62.5496 -1.4183 -62.5507 1.96313 -76.0095 -1.41821 -76.0093 -331.881 GPRESSURE: 3984600 224.777 -76.4109 90.5469 -29.595 -42.9851 -8.96197 -133.215 -131.976 -321.651 PRESSAVG: 3984600 49.7992 7.13243 85.1813 7.13243 -14.3839 18.7728 85.1813 18.7727 0.990545 GPRESSAVG: 3984600 51.2489 7.85702 85.955 6.43918 -16.2142 19.4479 83.6125 20.7831 1.03918 TIMING: 3984600 CPU: 12654.3, 0.00314824/step Wall: 12654.3, 0.00314824/step, 0.887978 hours remaining, 239.835938 MB of memory in use. ENERGY: 3984600 3967.0034 20464.4417 14509.0953 240.2168 -203591.5220 2484.9770 0.0000 0.0000 52167.9034 -109757.8844 299.8097 -161925.7878 -109395.6603 299.0390 -75.5313 -46.6196 760260.9685 12.1353 12.0246 PRESSURE: 3984800 392.181 -67.639 -88.0177 -67.6394 -22.9151 -29.9045 -88.0185 -29.9041 123.553 GPRESSURE: 3984800 379.154 57.2174 -56.9395 -87.9205 11.862 -123.877 -47.1035 -81.7872 176.794 PRESSAVG: 3984800 19.6686 -0.496171 6.3112 -0.496217 -0.445138 -55.579 6.31126 -55.579 -10.2504 GPRESSAVG: 3984800 19.8474 -0.185375 6.11359 -2.63867 -0.899361 -55.1147 9.30524 -59.0611 -9.65239 TIMING: 3984800 CPU: 12655, 0.00314913/step Wall: 12655, 0.00314913/step, 0.888054 hours remaining, 239.835938 MB of memory in use. ENERGY: 3984800 3958.5417 20474.1779 14487.5028 257.0849 -204033.3210 2952.9585 0.0000 0.0000 52103.8094 -109799.2457 299.4413 -161903.0552 -109445.8436 298.9945 164.2729 189.2699 759008.9024 2.9910 3.0986 PRESSURE: 3985000 -106.912 40.5654 -0.608349 40.5657 -104.664 141.387 -0.609732 141.387 -164.511 GPRESSURE: 3985000 -121.207 -2.58593 13.4504 140.927 -96.8442 238.241 27.5567 159.054 -66.2976 PRESSAVG: 3985000 54.5689 6.56096 -5.02242 6.56092 -47.3669 1.34932 -5.02243 1.34932 0.454984 GPRESSAVG: 3985000 52.0529 8.52298 -5.88213 5.63777 -45.4905 1.05351 -6.32328 2.45177 1.18108 TIMING: 3985000 CPU: 12655.6, 0.00316053/step Wall: 12655.6, 0.00316053/step, 0.891093 hours remaining, 239.835938 MB of memory in use. ENERGY: 3985000 3880.0109 20467.2544 14470.4477 249.2555 -202789.5153 2063.1509 0.0000 0.0000 52122.2342 -109537.1618 299.5472 -161659.3960 -109172.1601 299.1623 -125.3622 -94.7829 760249.6881 2.5523 2.5811 PRESSURE: 3985200 188.196 50.6237 178.85 50.6226 239.241 3.13067 178.85 3.13094 -163.716 GPRESSURE: 3985200 237.428 11.8873 178.243 38.5902 219.844 -4.37837 200.611 -63.1386 -113.891 PRESSAVG: 3985200 26.6669 18.2936 6.45265 18.2936 -18.2609 30.7052 6.45267 30.7052 -3.76525 GPRESSAVG: 3985200 29.1304 15.7915 6.93738 19.4148 -18.7068 28.8551 6.74736 30.7662 -5.13853 TIMING: 3985200 CPU: 12656.2, 0.00316331/step Wall: 12656.2, 0.00316331/step, 0.891703 hours remaining, 239.835938 MB of memory in use. ENERGY: 3985200 3933.5626 20704.6701 14388.2310 227.0441 -203000.2740 2473.7924 0.0000 0.0000 51823.4475 -109449.5262 297.8301 -161272.9738 -109089.5797 299.2698 87.9067 114.4603 760622.6910 1.5469 1.7617 PRESSURE: 3985400 -195.807 13.3461 75.6064 13.3467 110.136 144.028 75.6059 144.029 253.904 GPRESSURE: 3985400 -149.755 129.596 113.803 41.2255 75.3611 188.309 -30.3817 80.357 336.057 PRESSAVG: 3985400 -2.94749 -35.0142 31.4691 -35.0142 5.58474 -6.54189 31.4691 -6.5419 2.73008 GPRESSAVG: 3985400 -3.49907 -32.0484 32.9918 -35.8592 5.14679 -5.14443 30.4414 -6.2576 3.5084 TIMING: 3985400 CPU: 12656.9, 0.00316564/step Wall: 12656.9, 0.00316564/step, 0.892184 hours remaining, 239.835938 MB of memory in use. ENERGY: 3985400 3891.8195 20606.1055 14424.7469 242.3971 -203542.3688 2677.1047 0.0000 0.0000 52456.0190 -109244.1762 301.4655 -161700.1952 -108879.8127 299.4892 56.0780 87.2211 761518.0883 1.7891 1.7187 PRESSURE: 3985600 -144.686 258.33 371.319 258.33 -155.317 50.9574 371.319 50.9578 -131.051 GPRESSURE: 3985600 -81.92 284.73 329.803 127.927 -104.097 98.306 185.617 43.1583 -141.188 PRESSAVG: 3985600 -26.3151 -3.82229 66.0919 -3.82225 -1.63119 -15.527 66.092 -15.527 -14.8383 GPRESSAVG: 3985600 -25.8472 -5.17151 65.4129 -4.78719 -0.94145 -16.0064 67.189 -16.02 -16.1751 TIMING: 3985600 CPU: 12657.5, 0.00315083/step Wall: 12657.5, 0.00315083/step, 0.887835 hours remaining, 239.835938 MB of memory in use. ENERGY: 3985600 4014.2929 20538.9478 14385.3498 242.0645 -203434.6669 2613.4205 0.0000 0.0000 52449.4019 -109191.1894 301.4274 -161640.5913 -108828.8454 299.9226 -143.6847 -109.0683 760989.7568 -14.2615 -14.3212 PRESSURE: 3985800 135.915 -284.586 94.0252 -284.585 108.896 193.759 94.0246 193.758 96.1111 GPRESSURE: 3985800 71.3432 -78.3634 29.8101 -217.76 285.628 199.026 46.4424 64.7726 71.9334 PRESSAVG: 3985800 -44.1969 67.881 -24.2401 67.881 14.1516 58.4751 -24.24 58.475 -4.92198 GPRESSAVG: 3985800 -45.3704 69.261 -25.8571 70.4937 13.6497 58.4524 -22.4762 58.6066 -3.46284 TIMING: 3985800 CPU: 12658.1, 0.00316988/step Wall: 12658.1, 0.00316988/step, 0.893025 hours remaining, 239.835938 MB of memory in use. ENERGY: 3985800 4007.9319 20587.8053 14410.2401 245.1493 -203265.0743 2621.9446 0.0000 0.0000 52457.6914 -108934.3117 301.4751 -161392.0030 -108566.2878 300.3302 113.6408 142.9681 759914.4552 -11.6557 -11.7279 PRESSURE: 3986000 152.252 -40.5141 -125.243 -40.5137 196.774 98.351 -125.243 98.351 -166.408 GPRESSURE: 3986000 222.744 -49.0154 -132.564 -130.49 99.1601 97.1736 -106.851 13.6037 -61.2333 PRESSAVG: 3986000 41.1742 -41.763 -33.1159 -41.7631 -13.6865 38.9883 -33.1159 38.9882 9.99428 GPRESSAVG: 3986000 40.7437 -42.3903 -31.6405 -42.3627 -13.2418 38.3763 -35.8767 39.3281 9.9869 TIMING: 3986000 CPU: 12658.8, 0.00316972/step Wall: 12658.8, 0.00316972/step, 0.892804 hours remaining, 239.835938 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: 3986000 3926.4549 20658.0644 14464.0620 249.1741 -203012.0561 2461.0762 0.0000 0.0000 52338.7569 -108914.4676 300.7916 -161253.2244 -108541.4845 300.8703 60.8730 86.8902 759990.9705 12.4940 12.4963 PRESSURE: 3986200 -193.39 -88.944 52.2873 -88.9435 -422.893 -32.7148 52.2871 -32.7146 -349.081 GPRESSURE: 3986200 -159.552 5.27098 37.5933 -176.224 -367.87 3.56731 162.954 -89.5826 -355.227 PRESSAVG: 3986200 96.2768 2.07427 26.7987 2.07423 -118.806 12.3725 26.7987 12.3725 -13.7118 GPRESSAVG: 3986200 95.659 1.32868 26.2868 1.75122 -118.646 10.6701 28.0947 12.627 -13.8734 TIMING: 3986200 CPU: 12659.4, 0.00316102/step Wall: 12659.4, 0.00316102/step, 0.890178 hours remaining, 239.835938 MB of memory in use. ENERGY: 3986200 3992.2732 20517.1466 14497.8430 252.3355 -202627.4118 1800.3588 0.0000 0.0000 52394.9484 -109172.5062 301.1145 -161567.4547 -108810.4165 300.4193 -321.7881 -294.2162 760797.7906 -12.0804 -12.2869 PRESSURE: 3986400 358.41 34.6912 -155.678 34.6914 53.3029 -155.562 -155.679 -155.562 -264.997 GPRESSURE: 3986400 396.164 -16.5786 -149.412 -32.7481 103.314 -102.15 -321.265 -78.7287 -263.622 PRESSAVG: 3986400 72.7044 7.26722 -5.74304 7.26725 -37.5782 -4.54683 -5.743 -4.54683 -8.26663 GPRESSAVG: 3986400 73.744 6.40582 -5.27925 6.22167 -38.2815 -2.02071 -7.15099 -6.20924 -7.98019 TIMING: 3986400 CPU: 12660, 0.00315921/step Wall: 12660, 0.00315921/step, 0.889492 hours remaining, 239.835938 MB of memory in use. ENERGY: 3986400 3946.8289 20349.7282 14432.5362 278.9244 -203730.9848 2931.2948 0.0000 0.0000 52493.1504 -109298.5218 301.6789 -161791.6722 -108926.7149 300.1317 48.9051 78.6186 760443.8785 8.9532 9.1608 PRESSURE: 3986600 113.679 114.21 120.591 114.21 -298.025 40.2186 120.591 40.2177 -490.157 GPRESSURE: 3986600 114.995 70.232 113.206 63.9135 -273.646 48.4296 197.844 11.9154 -397.12 PRESSAVG: 3986600 65.1112 23.9741 26.2738 23.9741 -37.1285 -31.6212 26.2738 -31.6212 21.3923 GPRESSAVG: 3986600 65.6264 23.39 27.3047 26.7247 -37.9345 -32.9047 27.5578 -30.3848 21.9562 TIMING: 3986600 CPU: 12660.7, 0.00316154/step Wall: 12660.7, 0.00316154/step, 0.889973 hours remaining, 239.835938 MB of memory in use. ENERGY: 3986600 4064.9539 20408.2919 14400.7603 250.9158 -203187.7413 2549.4081 0.0000 0.0000 51845.6076 -109667.8037 297.9574 -161513.4113 -109317.8340 299.2554 -224.8346 -185.2572 761267.3251 16.4583 16.5494 PRESSURE: 3986800 159.991 26.7587 -40.99 26.7592 -412.529 42.5086 -40.9896 42.5099 -123.268 GPRESSURE: 3986800 122.803 15.559 -79.7227 33.1083 -355.892 -7.23846 35.4339 -3.76068 -84.4828 PRESSAVG: 3986800 -13.4876 33.4384 24.9061 33.4384 -29.0751 15.517 24.9061 15.5171 -1.77669 GPRESSAVG: 3986800 -14.913 35.3934 23.0991 32.9385 -28.6828 16.5709 24.6351 14.7344 -1.15136 TIMING: 3986800 CPU: 12661.3, 0.00316434/step Wall: 12661.3, 0.00316434/step, 0.890587 hours remaining, 239.835938 MB of memory in use. ENERGY: 3986800 4017.3988 20572.2753 14418.1741 239.3709 -203167.7883 2377.7459 0.0000 0.0000 51987.1894 -109555.6338 298.7711 -161542.8232 -109183.1586 299.1109 -125.2684 -105.8572 761330.1079 -14.7798 -14.9157 PRESSURE: 3987000 -105.355 220.933 -188.954 220.934 308.239 41.845 -188.955 41.8455 404.998 GPRESSURE: 3987000 43.8055 382.045 -78.5423 246.313 312.231 18.4053 -274.137 -33.1764 334.741 PRESSAVG: 3987000 30.4765 -12.5266 40.1932 -12.5267 -36.9561 74.1559 40.1932 74.1558 32.0649 GPRESSAVG: 3987000 31.1511 -11.8637 40.2491 -12.21 -35.4416 74.2171 39.5021 74.7469 30.1297 TIMING: 3987000 CPU: 12661.9, 0.00315008/step Wall: 12661.9, 0.00315008/step, 0.886399 hours remaining, 239.835938 MB of memory in use. ENERGY: 3987000 3922.4857 20569.3867 14396.5071 230.4761 -203931.5210 2932.0651 0.0000 0.0000 52353.4443 -109527.1560 300.8760 -161880.6004 -109167.3590 299.8990 202.6275 230.2591 758828.8995 8.5284 8.6131 PRESSURE: 3987200 113.001 16.9506 95.2919 16.9509 335.222 81.225 95.2912 81.2238 364.34 GPRESSURE: 3987200 260.355 0.951106 103.129 -38.357 200.589 -48.1615 70.9632 237.716 421.391 PRESSAVG: 3987200 0.28789 -3.83652 -66.5293 -3.83647 1.77571 21.2209 -66.5293 21.2209 -19.1792 GPRESSAVG: 3987200 -0.360339 -4.29486 -64.7003 -4.32654 1.13868 20.5093 -67.8855 20.0384 -18.2509 TIMING: 3987200 CPU: 12662.6, 0.0031375/step Wall: 12662.6, 0.0031375/step, 0.882684 hours remaining, 239.835938 MB of memory in use. ENERGY: 3987200 4027.5129 20512.2702 14428.9684 254.8543 -204041.0574 2854.6462 0.0000 0.0000 52280.0993 -109682.7061 300.4544 -161962.8054 -109314.5660 299.4469 270.8540 294.1117 758605.7490 -5.7052 -5.8242 PRESSURE: 3987400 -229.912 8.71943 315.933 8.71807 -39.0838 -203.195 315.933 -203.196 -108.125 GPRESSURE: 3987400 -160.136 -114.316 229.318 -23.6766 24.8202 -149.121 198.676 -161.414 -151.614 PRESSAVG: 3987400 30.0836 -38.0585 43.567 -38.0585 -16.0132 3.55152 43.567 3.55163 3.18322 GPRESSAVG: 3987400 30.6341 -39.7291 42.4033 -36.7919 -15.7046 4.29343 45.1396 4.47466 2.82567 TIMING: 3987400 CPU: 12663.2, 0.00313885/step Wall: 12663.2, 0.00313885/step, 0.882889 hours remaining, 239.835938 MB of memory in use. ENERGY: 3987400 3944.1002 20408.1515 14538.1932 229.4814 -203370.6442 2308.2237 0.0000 0.0000 51986.6904 -109955.8038 298.7682 -161942.4942 -109589.5251 299.1485 -125.7069 -95.6429 759919.0157 5.7512 5.9184 PRESSURE: 3987600 -39.0867 110.141 -35.3879 110.142 -12.6775 42.8513 -35.3867 42.852 -49.1106 GPRESSURE: 3987600 25.7387 159.981 -68.5882 108.813 -49.464 34.8765 32.3446 65.2774 6.27323 PRESSAVG: 3987600 68.2925 -9.77666 18.4533 -9.77664 -44.4368 -1.01513 18.4533 -1.01509 -23.5076 GPRESSAVG: 3987600 67.9102 -5.68865 18.0976 -11.9063 -44.6304 -0.772179 18.3546 -3.17142 -23.1644 TIMING: 3987600 CPU: 12663.8, 0.00314222/step Wall: 12663.8, 0.00314222/step, 0.883663 hours remaining, 239.835938 MB of memory in use. ENERGY: 3987600 4037.0832 20317.5530 14544.3664 223.7580 -203570.7471 2532.6054 0.0000 0.0000 51903.8656 -110011.5155 298.2922 -161915.3812 -109646.3019 298.6412 -33.6249 -5.8174 758607.8237 0.1160 0.0385 PRESSURE: 3987800 -314.095 -155.225 198.446 -155.225 -235.309 -147.828 198.447 -147.829 -274.005 GPRESSURE: 3987800 -255.607 -78.1186 172.895 -116.812 -213.136 -69.3124 186.406 -32.0862 -271.581 PRESSAVG: 3987800 20.9635 10.933 23.8215 10.933 5.8451 -8.99781 23.8215 -8.99775 13.2773 GPRESSAVG: 3987800 22.5019 9.18953 23.1949 12.1351 4.30124 -10.162 25.2925 -6.32912 13.6278 TIMING: 3987800 CPU: 12664.4, 0.0031457/step Wall: 12664.4, 0.0031457/step, 0.884466 hours remaining, 239.835938 MB of memory in use. ENERGY: 3987800 4008.8515 20512.0265 14364.7442 246.1298 -203466.0044 2304.1963 0.0000 0.0000 52068.5991 -109961.4570 299.2390 -162030.0561 -109603.0436 298.2835 -274.4698 -246.7746 759037.9437 13.3620 13.4770 PRESSURE: 3988000 -312.658 131.961 214.478 131.961 -6.15209 152.013 214.477 152.013 -430.121 GPRESSURE: 3988000 -332.619 111.079 242.11 129.001 59.3338 185.45 133.274 130.946 -401.847 PRESSAVG: 3988000 24.9563 -4.26345 15.0788 -4.26343 -1.80724 -10.2471 15.0788 -10.2471 -1.71874 GPRESSAVG: 3988000 23.1758 -4.91875 14.9727 -3.9845 0.480827 -9.31667 15.9629 -10.585 -2.53193 TIMING: 3988000 CPU: 12665.1, 0.00313669/step Wall: 12665.1, 0.00313669/step, 0.881758 hours remaining, 239.835938 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: 3988000 4016.3918 20491.1472 14434.3464 257.9786 -203331.2396 2296.2405 0.0000 0.0000 51980.0113 -109855.1237 298.7298 -161835.1349 -109490.2947 298.4835 -249.6437 -225.0441 758490.4684 7.1434 7.0416 PRESSURE: 3988200 293.089 99.3684 105.505 99.3687 84.289 -119.581 105.505 -119.58 -55.2672 GPRESSURE: 3988200 350.824 75.0979 71.4692 104.503 135.632 -167.938 -15.7554 -91.322 -80.8073 PRESSAVG: 3988200 71.5291 -16.1915 34.0254 -16.1915 -47.831 1.15524 34.0253 1.15526 20.2541 GPRESSAVG: 3988200 71.0826 -15.9172 34.233 -16.614 -47.3303 0.505826 32.306 2.53562 20.1962 TIMING: 3988200 CPU: 12665.7, 0.00312776/step Wall: 12665.7, 0.00312776/step, 0.879075 hours remaining, 239.835938 MB of memory in use. ENERGY: 3988200 4020.0981 20476.7023 14452.7696 230.4030 -203773.8768 2576.4331 0.0000 0.0000 51946.7639 -110070.7067 298.5388 -162017.4706 -109710.4838 298.6847 107.3702 135.2165 757469.4699 14.6507 14.6495 LDB: ============= START OF LOAD BALANCING ============== 12678.1 LDB: ============== END OF LOAD BALANCING =============== 12678.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12678.1 LDB: ============= START OF LOAD BALANCING ============== 12678.5 LDB: Largest compute 7056 load 0.035760 is 18.3% of average load 0.195313 LDB: Average compute 0.004405 is 2.3% of average load 0.195313 LDB: TIME 12678.5 LOAD: AVG 0.195313 MAX 0.215116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 12678.5 LOAD: AVG 0.195313 MAX 0.215116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: TIME 12678.5 LOAD: AVG 0.195313 MAX 0.215116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.148 MB LDB: ============== END OF LOAD BALANCING =============== 12678.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12678.5 PRESSURE: 3988400 108.123 -165.619 19.696 -165.62 -129.083 -71.0746 19.6965 -71.0741 -53.3956 GPRESSURE: 3988400 225.475 -83.1412 13.1118 -155.121 -152.942 -59.0259 -44.4654 -29.4727 -70.6131 PRESSAVG: 3988400 113.494 -3.69023 34.9783 -3.69026 -89.0456 50.3765 34.9783 50.3766 16.5131 GPRESSAVG: 3988400 115.165 -4.47348 36.2587 -3.08112 -91.3569 51.4199 35.5668 49.2704 17.0894 TIMING: 3988400 CPU: 12666.3, 0.00320183/step Wall: 12666.3, 0.00320183/step, 0.899713 hours remaining, 239.632812 MB of memory in use. ENERGY: 3988400 4028.0921 20580.0780 14437.2623 251.6477 -203416.6022 2428.0106 0.0000 0.0000 51511.0437 -110180.4678 296.0347 -161691.5115 -109828.9842 298.5387 -24.7851 0.6397 758986.4132 13.6539 13.6327 PRESSURE: 3988600 -45.9502 156.327 -10.4713 156.327 6.18961 96.3834 -10.471 96.3832 60.3691 GPRESSURE: 3988600 76.9278 208.92 -42.8764 60.6326 -9.77852 108.005 -102.068 167.005 35.6248 PRESSAVG: 3988600 77.5421 -6.98073 4.76419 -6.98076 -72.9116 29.8712 4.76412 29.8712 -16.0291 GPRESSAVG: 3988600 77.4219 -7.37498 4.17217 -7.50665 -72.1111 28.9072 5.76755 28.201 -16.7411 TIMING: 3988600 CPU: 12667, 0.00312017/step Wall: 12667, 0.00312017/step, 0.876596 hours remaining, 239.632812 MB of memory in use. ENERGY: 3988600 3933.1462 20351.4999 14386.4014 246.6748 -204310.8058 3174.6356 0.0000 0.0000 51958.6739 -110259.7741 298.6072 -162218.4480 -109898.5080 297.8494 6.8695 34.2580 759352.1352 -3.7995 -3.8101 PRESSURE: 3988800 50.7967 -325.374 22.04 -325.374 -176.789 164.912 22.0399 164.912 62.017 GPRESSURE: 3988800 -82.9496 -227.427 -38.2316 -312.359 -62.5915 186.417 84.8946 118.84 160.862 PRESSAVG: 3988800 53.0244 15.5204 37.6116 15.5203 5.39946 14.2687 37.6116 14.2688 -3.36252 GPRESSAVG: 3988800 52.0237 15.4822 37.3094 16.8192 7.40228 14.5033 37.4737 15.3623 -4.37691 TIMING: 3988800 CPU: 12667.6, 0.00315264/step Wall: 12667.6, 0.00315264/step, 0.885542 hours remaining, 239.632812 MB of memory in use. ENERGY: 3988800 3955.5690 20543.9859 14393.2138 259.8871 -204214.5535 2962.4678 0.0000 0.0000 51924.0800 -110175.3498 298.4084 -162099.4298 -109793.8387 298.1121 -21.3251 5.1068 759744.1531 18.3538 18.3497 PRESSURE: 3989000 33.2306 245.665 -172.895 245.664 -1.3972 144.901 -172.895 144.901 432.624 GPRESSURE: 3989000 62.8728 157.567 -227.611 298.023 -23.7676 115.094 -92.3823 117.369 489.797 PRESSAVG: 3989000 69.5116 -22.236 -32.7861 -22.236 -5.17189 -20.3227 -32.7861 -20.3227 1.0457 GPRESSAVG: 3989000 69.7321 -23.6021 -32.1066 -22.0851 -6.98651 -21.0063 -34.0723 -20.2811 2.25242 TIMING: 3989000 CPU: 12668.2, 0.00312631/step Wall: 12668.2, 0.00312631/step, 0.877973 hours remaining, 239.632812 MB of memory in use. ENERGY: 3989000 3951.9959 20633.8683 14481.6317 253.6546 -203537.6735 2503.3383 0.0000 0.0000 51848.7661 -109864.4186 297.9756 -161713.1847 -109503.0067 298.5123 154.8191 176.3008 760114.2717 21.7951 21.6660 PRESSURE: 3989200 -101.461 -73.5202 -31.344 -73.5199 -55.5635 71.9216 -31.344 71.9214 -119.536 GPRESSURE: 3989200 -108.205 -50.4233 -9.99133 -131.409 -28.7501 82.3445 -66.9797 -0.725774 -68.3704 PRESSAVG: 3989200 -10.3705 -64.8873 -50.2769 -64.8872 25.2444 44.3103 -50.2769 44.3102 -10.5258 GPRESSAVG: 3989200 -10.1037 -64.1795 -50.7962 -65.7629 24.4852 44.2822 -49.7248 45.6578 -10.6872 TIMING: 3989200 CPU: 12668.8, 0.00315284/step Wall: 12668.8, 0.00315284/step, 0.885247 hours remaining, 239.632812 MB of memory in use. ENERGY: 3989200 4052.5900 20530.5537 14461.4682 259.1197 -203578.5351 2454.4379 0.0000 0.0000 51959.0475 -109861.3182 298.6094 -161820.3656 -109517.4706 298.8192 -92.1869 -68.4418 760059.3626 1.4494 1.2314 PRESSURE: 3989400 42.6436 -366.592 -79.0334 -366.591 -445.07 -80.8895 -79.0327 -80.8889 17.7141 GPRESSURE: 3989400 42.3563 -262.909 -56.3751 -370.849 -293.212 -1.41173 -199.614 -19.2863 -58.8986 PRESSAVG: 3989400 9.39632 -1.54673 15.0466 -1.54666 -63.8313 -27.1202 15.0466 -27.1202 13.637 GPRESSAVG: 3989400 8.59456 -2.866 15.2925 -0.521466 -61.9705 -26.3656 13.3456 -28.9093 12.9232 TIMING: 3989400 CPU: 12669.5, 0.00315504/step Wall: 12669.5, 0.00315504/step, 0.88569 hours remaining, 239.632812 MB of memory in use. ENERGY: 3989400 4032.6820 20212.4489 14432.5882 260.9544 -203589.7301 2581.4200 0.0000 0.0000 52245.0569 -109824.5797 300.2531 -162069.6366 -109448.5339 298.5877 -128.2375 -103.2513 760219.2072 -13.5993 -13.4843 PRESSURE: 3989600 70.7032 -120.759 154.932 -120.759 -102.479 110.569 154.932 110.569 102.75 GPRESSURE: 3989600 36.3849 -1.57357 86.984 -129.191 -38.9506 214.706 29.8415 67.0231 155.518 PRESSAVG: 3989600 37.9732 -60.2845 -16.164 -60.2845 -57.8645 41.9677 -16.164 41.9677 8.15294 GPRESSAVG: 3989600 37.6417 -58.0291 -16.8184 -61.7654 -57.2876 42.3042 -13.9059 42.0696 7.54298 TIMING: 3989600 CPU: 12670.1, 0.00312451/step Wall: 12670.1, 0.00312451/step, 0.876944 hours remaining, 239.632812 MB of memory in use. ENERGY: 3989600 3976.8494 20282.8201 14461.8704 259.7330 -203390.0248 2290.6681 0.0000 0.0000 52106.3877 -110011.6960 299.4561 -162118.0837 -109652.3607 298.9060 23.6580 50.9842 761696.7081 -3.9128 -4.0343 PRESSURE: 3989800 -90.1938 200.736 32.6519 200.735 -118.362 -260.058 32.6516 -260.058 -144.57 GPRESSURE: 3989800 6.18318 169.064 11.3772 129.27 -129.717 -281.004 59.6569 -69.8404 -143.195 PRESSAVG: 3989800 20.465 -30.5155 -2.06924 -30.5156 -40.5742 -14.782 -2.06925 -14.782 12.676 GPRESSAVG: 3989800 20.1309 -30.6761 -4.72043 -31.0747 -41.914 -15.2326 -1.29849 -13.2178 14.1613 TIMING: 3989800 CPU: 12670.7, 0.00313079/step Wall: 12670.7, 0.00313079/step, 0.878534 hours remaining, 239.632812 MB of memory in use. ENERGY: 3989800 4063.6468 20423.5637 14432.3154 249.2146 -203607.7460 2338.3023 0.0000 0.0000 51975.9744 -110124.7288 298.7066 -162100.7032 -109768.8328 297.9193 -117.7086 -88.9095 760091.9503 -2.4777 -2.5406 PRESSURE: 3990000 190.001 16.4031 -141.62 16.4031 -111.353 164.495 -141.62 164.495 89.0616 GPRESSURE: 3990000 202.255 -17.8635 -102.808 -22.4281 -32.3265 156.915 43.7062 91.2043 96.0032 PRESSAVG: 3990000 0.892206 -37.6391 7.34628 -37.6392 -19.1431 -48.8322 7.34624 -48.8322 -20.6283 GPRESSAVG: 3990000 2.57566 -39.1045 10.0288 -37.6167 -20.0462 -47.538 6.04493 -49.108 -21.6108 TIMING: 3990000 CPU: 12671.4, 0.00317441/step Wall: 12671.4, 0.00317441/step, 0.890599 hours remaining, 239.632812 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: 3990000 3935.8933 20510.9395 14472.3998 287.2545 -203943.4714 2869.9517 0.0000 0.0000 51852.2225 -110014.8101 297.9954 -161867.0326 -109659.4588 298.4446 55.9033 88.6439 760130.4157 -12.9597 -13.0271 PRESSURE: 3990200 391.187 -19.2095 -36.6749 -19.2096 -43.3742 -24.0124 -36.6745 -24.0114 81.2554 GPRESSURE: 3990200 337.785 16.9919 -129.824 -8.82477 18.5571 -49.4189 4.5859 -28.8447 143.686 PRESSAVG: 3990200 -2.76553 4.53735 40.9798 4.53738 10.0008 15.9872 40.9797 15.9872 0.456418 GPRESSAVG: 3990200 -4.01068 5.87579 41.08 3.77801 10.8898 14.8209 40.4588 14.7017 0.688046 TIMING: 3990200 CPU: 12672, 0.00316184/step Wall: 12672, 0.00316184/step, 0.886897 hours remaining, 239.632812 MB of memory in use. ENERGY: 3990200 3957.9318 20400.4923 14466.1177 268.6698 -203589.1075 2747.7477 0.0000 0.0000 51621.8456 -110126.3026 296.6715 -161748.1482 -109772.7578 298.2265 143.0226 166.6762 760137.0235 2.5639 2.5224 PRESSURE: 3990400 67.4595 -13.3233 -31.298 -13.323 -107.63 71.4735 -31.2977 71.475 -56.0316 GPRESSURE: 3990400 87.3386 126.137 34.1912 -34.1977 -16.3454 133.657 12.6128 -111.631 -74.0803 PRESSAVG: 3990400 10.6693 -21.0755 23.7021 -21.0756 -4.40914 0.0243342 23.7021 0.0243163 -6.57452 GPRESSAVG: 3990400 10.1438 -21.1372 21.9502 -19.9911 -4.03761 1.15976 25.0793 -0.92758 -6.46548 TIMING: 3990400 CPU: 12672.6, 0.0031361/step Wall: 12672.6, 0.0031361/step, 0.879503 hours remaining, 239.632812 MB of memory in use. ENERGY: 3990400 3952.1401 20257.6747 14498.4124 269.1915 -203300.6133 2327.0324 0.0000 0.0000 51955.4310 -110040.7312 298.5886 -161996.1622 -109667.7015 298.1776 -32.0674 -1.0290 760656.8184 -0.1048 -0.1198 PRESSURE: 3990600 56.3259 153.443 -22.3323 153.444 -104.921 -136.244 -22.333 -136.244 82.4449 GPRESSURE: 3990600 28.9689 182.488 -41.3877 203.342 -91.2689 -60.4977 -13.2939 -112.883 186.844 PRESSAVG: 3990600 -32.2303 41.7305 35.4302 41.7304 46.0226 18.2946 35.4302 18.2946 0.113002 GPRESSAVG: 3990600 -32.0008 43.0348 36.7779 41.1882 46.2276 18.7407 35.3608 19.2324 -0.546052 TIMING: 3990600 CPU: 12673.2, 0.00312005/step Wall: 12673.2, 0.00312005/step, 0.874828 hours remaining, 239.632812 MB of memory in use. ENERGY: 3990600 3993.6119 20320.9002 14537.8526 243.1101 -203747.8437 2801.5055 0.0000 0.0000 51793.4508 -110057.4125 297.6577 -161850.8633 -109705.4059 298.1134 11.2834 41.5146 760628.2088 4.6351 4.5602 PRESSURE: 3990800 -101.232 52.8077 24.1799 52.8077 -433.261 -136.653 24.1797 -136.653 -129.805 GPRESSURE: 3990800 -27.9546 -78.216 -18.0864 42.3994 -349.682 -40.4045 97.9083 -83.6144 -198.155 PRESSAVG: 3990800 -16.5197 37.8347 -12.901 37.8347 18.57 4.54481 -12.9011 4.54473 -15.7226 GPRESSAVG: 3990800 -16.0243 35.6886 -13.815 38.5247 17.9722 2.97398 -12.4502 5.90018 -15.7607 TIMING: 3990800 CPU: 12673.9, 0.00315474/step Wall: 12673.9, 0.00315474/step, 0.884378 hours remaining, 239.632812 MB of memory in use. ENERGY: 3990800 3942.3357 20574.2050 14425.3805 256.6658 -203498.2049 2362.0917 0.0000 0.0000 51880.2541 -110057.2722 298.1565 -161937.5262 -109700.0562 298.7424 -221.4328 -191.9306 760950.2299 -4.5574 -4.6043 PRESSURE: 3991000 -93.7542 -43.4942 -134.247 -43.4935 -333.645 -66.4648 -134.246 -66.4637 136.034 GPRESSURE: 3991000 -1.9504 31.0282 -254.725 -8.43431 -290.838 -43.6423 -173.033 -81.3614 108.827 PRESSAVG: 3991000 33.0372 -4.51676 -7.5797 -4.51675 1.63948 -25.8195 -7.57965 -25.8194 0.743897 GPRESSAVG: 3991000 32.6222 -4.67789 -6.26608 -4.96541 1.47621 -26.4359 -9.50867 -25.4652 1.87727 TIMING: 3991000 CPU: 12674.5, 0.0031521/step Wall: 12674.5, 0.0031521/step, 0.883462 hours remaining, 239.632812 MB of memory in use. ENERGY: 3991000 4002.7498 20263.9014 14433.9700 263.9541 -203466.2760 2546.3188 0.0000 0.0000 51802.2778 -110153.1040 297.7084 -161955.3818 -109794.2953 298.0861 -97.1218 -61.3204 760585.7099 11.8069 11.9919 PRESSURE: 3991200 73.5809 75.1338 32.4731 75.134 -59.963 160.727 32.4729 160.726 -198.976 GPRESSURE: 3991200 18.481 106.119 32.2615 131.552 28.8354 73.5228 91.0642 55.8849 -166.998 PRESSAVG: 3991200 26.2708 -17.731 32.8783 -17.7309 -26.7076 32.5973 32.8783 32.5973 -19.8699 GPRESSAVG: 3991200 26.2303 -18.6125 31.9972 -17.5304 -26.5876 32.5822 35.554 30.1405 -20.3013 TIMING: 3991200 CPU: 12675.1, 0.00316417/step Wall: 12675.1, 0.00316417/step, 0.886671 hours remaining, 239.632812 MB of memory in use. ENERGY: 3991200 4024.4566 20342.5211 14474.8907 233.1547 -203800.2691 2612.6986 0.0000 0.0000 51915.5387 -110197.0087 298.3593 -162112.5475 -109833.8671 298.0703 -61.7861 -39.8938 760142.4544 -6.7689 -6.8862 PRESSURE: 3991400 227.294 -4.14073 258.475 -4.14107 17.3016 46.8807 258.474 46.8803 -191.151 GPRESSURE: 3991400 284.484 -7.85888 264.528 -73.4749 -9.15309 69.4924 215.537 58.3287 -157.989 PRESSAVG: 3991400 30.549 -26.901 79.6913 -26.901 4.62427 -2.8171 79.6913 -2.81708 0.755339 GPRESSAVG: 3991400 31.3708 -24.8742 79.5519 -27.7227 4.27415 -0.651629 78.1204 -1.08289 0.719169 TIMING: 3991400 CPU: 12675.8, 0.00317732/step Wall: 12675.8, 0.00317732/step, 0.890179 hours remaining, 239.632812 MB of memory in use. ENERGY: 3991400 3887.0258 20333.6009 14399.5248 245.7362 -203454.6198 2354.7460 0.0000 0.0000 52018.0167 -110215.9695 298.9483 -162233.9861 -109846.4415 297.8883 17.8151 39.1138 760162.7525 11.9762 12.1214 PRESSURE: 3991600 -39.6243 56.724 100.242 56.7246 -124.028 148.337 100.242 148.337 9.35428 GPRESSURE: 3991600 57.639 24.0767 92.6087 27.2957 -115.709 184.881 88.2598 342.459 -20.8918 PRESSAVG: 3991600 10.6232 -49.0876 -33.4922 -49.0877 4.97308 49.6226 -33.4923 49.6225 -0.735247 GPRESSAVG: 3991600 10.0948 -49.6856 -32.7829 -49.2938 5.86987 48.6217 -35.2321 48.8016 -0.584002 TIMING: 3991600 CPU: 12676.4, 0.0031527/step Wall: 12676.4, 0.0031527/step, 0.883105 hours remaining, 239.632812 MB of memory in use. ENERGY: 3991600 3952.7881 20317.6544 14493.0636 244.4939 -203360.9071 2378.1554 0.0000 0.0000 51836.2438 -110138.5079 297.9036 -161974.7518 -109781.2433 297.7055 -51.4327 -26.3207 759752.4925 4.9537 5.1269 PRESSURE: 3991800 177.926 -128.209 -86.8857 -128.209 -86.456 -138.907 -86.8848 -138.906 -425.488 GPRESSURE: 3991800 203.741 2.01165 -36.5963 -63.9872 29.702 -209.666 -63.8452 -1.16424 -478.005 PRESSAVG: 3991800 -20.5411 -54.4757 -2.82557 -54.4758 7.19539 36.5287 -2.82559 36.5286 -20.9771 GPRESSAVG: 3991800 -18.4214 -53.8322 -2.71385 -54.5755 5.85455 36.5917 0.25193 38.0918 -21.7068 TIMING: 3991800 CPU: 12677, 0.00316467/step Wall: 12677, 0.00316467/step, 0.886282 hours remaining, 239.632812 MB of memory in use. ENERGY: 3991800 3924.4188 20395.4114 14434.0041 246.5044 -203737.7066 2792.4872 0.0000 0.0000 51661.6899 -110283.1907 296.9004 -161944.8806 -109929.1467 297.4963 -111.3392 -81.5206 761323.7630 -11.4409 -11.4245 PRESSURE: 3992000 -92.0862 -175.973 43.5406 -175.973 -213.496 145.257 43.541 145.256 71.1237 GPRESSURE: 3992000 -23.5095 -15.4468 49.1296 -169.295 -145.533 177.218 137.928 80.1897 47.7499 PRESSAVG: 3992000 -16.9097 -32.7553 -33.9825 -32.7553 21.1179 2.01669 -33.9825 2.01661 14.3172 GPRESSAVG: 3992000 -19.0325 -34.7015 -33.6723 -32.4255 22.576 -0.747089 -37.1543 1.88981 15.3898 TIMING: 3992000 CPU: 12677.7, 0.00316679/step Wall: 12677.7, 0.00316679/step, 0.886701 hours remaining, 239.632812 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: 3992000 3973.3589 20285.1859 14372.1427 236.0126 -203591.3787 2501.4739 0.0000 0.0000 51561.6915 -110661.5132 296.3257 -162223.2047 -110302.3203 296.8392 -78.1529 -40.4310 761507.4969 6.1751 6.3111 PRESSURE: 3992200 -386.334 44.9699 253.873 44.9695 -98.348 7.47316 253.873 7.47303 83.644 GPRESSURE: 3992200 -328.915 116.079 210.717 110.571 -31.8372 75.6635 147.19 -37.5354 40.2022 PRESSAVG: 3992200 14.7243 -11.0763 0.905831 -11.0763 7.17628 20.2579 0.90583 20.2578 22.3166 GPRESSAVG: 3992200 16.1356 -8.95284 -0.25935 -9.74374 7.3351 22.6809 5.2625 21.0218 21.0973 TIMING: 3992200 CPU: 12678.3, 0.00316476/step Wall: 12678.3, 0.00316476/step, 0.885956 hours remaining, 239.632812 MB of memory in use. ENERGY: 3992200 3947.1390 20273.5047 14400.4518 242.7452 -203523.3452 2443.2029 0.0000 0.0000 51620.1709 -110596.1307 296.6618 -162216.3016 -110243.5789 296.7967 -133.6794 -106.8498 760408.0399 14.7390 14.8560 LDB: ============= START OF LOAD BALANCING ============== 12690.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12690.8 LDB: =============== DONE WITH MIGRATION ================ 12690.8 LDB: ============= START OF LOAD BALANCING ============== 12691.1 LDB: Largest compute 7056 load 0.036803 is 18.8% of average load 0.195337 LDB: Average compute 0.004389 is 2.2% of average load 0.195337 LDB: TIME 12691.1 LOAD: AVG 0.195337 MAX 0.21653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.922 MB LDB: TIME 12691.1 LOAD: AVG 0.195337 MAX 0.21653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.965 MB LDB: TIME 12691.1 LOAD: AVG 0.195337 MAX 0.21653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.965 MB LDB: ============== END OF LOAD BALANCING =============== 12691.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12691.1 PRESSURE: 3992400 -451.141 -86.6691 -162.117 -86.6705 -211.948 186.956 -162.117 186.957 107.601 GPRESSURE: 3992400 -370.706 54.5066 -95.7541 -77.2347 -248.746 155.247 -62.5275 172.26 150.386 PRESSAVG: 3992400 14.668 18.9714 -23.0569 18.9713 -0.328777 -24.7573 -23.0569 -24.7574 -10.3938 GPRESSAVG: 3992400 14.5463 17.7652 -21.1129 19.0579 -1.14297 -25.8201 -26.9311 -24.5484 -9.13266 TIMING: 3992400 CPU: 12678.9, 0.00324406/step Wall: 12678.9, 0.00324405/step, 0.907975 hours remaining, 240.726562 MB of memory in use. ENERGY: 3992400 3966.1489 20277.8144 14452.4388 247.5705 -203453.7712 2419.5320 0.0000 0.0000 51776.3379 -110313.9287 297.5593 -162090.2667 -109951.6119 297.2069 -185.1626 -156.3550 758918.6785 1.3151 1.4235 PRESSURE: 3992600 -88.857 -31.1851 65.4055 -31.1855 -96.537 -84.4519 65.4048 -84.4519 119.658 GPRESSURE: 3992600 -40.4199 -60.321 30.0393 -96.432 -21.6552 -45.5295 87.4315 -108.217 90.1922 PRESSAVG: 3992600 -17.1688 -27.1715 36.0053 -27.1715 6.40476 3.16879 36.0053 3.16878 -1.40792 GPRESSAVG: 3992600 -17.3393 -26.6988 34.5368 -29.8553 7.18777 4.69864 38.6148 1.38891 -1.6728 TIMING: 3992600 CPU: 12679.6, 0.00315222/step Wall: 12679.6, 0.00315222/step, 0.882096 hours remaining, 240.867188 MB of memory in use. ENERGY: 3992600 3882.8951 20427.4487 14518.1787 224.9213 -203672.7205 2283.8735 0.0000 0.0000 51947.6440 -110387.7591 298.5438 -162335.4032 -110039.7163 297.7667 -21.9119 9.3724 757737.7919 -4.0573 -3.9414 PRESSURE: 3992800 -281.075 -83.3241 42.7972 -83.3226 -348.667 -91.6748 42.7972 -91.6741 -197.966 GPRESSURE: 3992800 -205.167 -194.987 113.832 -58.9324 -342.403 -115.405 54.3302 -136.159 -214.554 PRESSAVG: 3992800 42.0022 -49.6091 38.6801 -49.6091 -20.8687 10.0274 38.68 10.0274 -21.3341 GPRESSAVG: 3992800 42.1008 -50.8493 41.694 -48.1227 -20.9097 8.78482 36.3867 11.9103 -21.1382 TIMING: 3992800 CPU: 12680.2, 0.00315216/step Wall: 12680.2, 0.00315216/step, 0.881903 hours remaining, 240.867188 MB of memory in use. ENERGY: 3992800 4010.1271 20385.4614 14504.9684 247.7355 -203460.9496 2479.2421 0.0000 0.0000 51707.5706 -110125.8444 297.1641 -161833.4150 -109778.4431 298.3239 -275.9025 -254.0413 760198.0747 -0.0669 0.0176 PRESSURE: 3993000 3.00003 48.1959 -11.4468 48.1955 -547.196 -262.876 -11.4469 -262.877 -622.627 GPRESSURE: 3993000 -57.9594 46.4889 11.2388 51.9034 -421.562 -261.512 -78.9554 -181.273 -610.024 PRESSAVG: 3993000 -14.4979 -70.7235 45.0768 -70.7235 -34.981 -39.5192 45.0768 -39.5191 -3.06866 GPRESSAVG: 3993000 -16.2393 -70.8235 42.7935 -70.9413 -34.9896 -38.6637 46.896 -40.5329 -1.68222 TIMING: 3993000 CPU: 12680.8, 0.00318106/step Wall: 12680.8, 0.00318106/step, 0.889814 hours remaining, 240.867188 MB of memory in use. ENERGY: 3993000 4009.1692 20367.1302 14461.7311 254.7431 -203352.3833 2207.5828 0.0000 0.0000 51901.4699 -110150.5569 298.2785 -162052.0268 -109790.8402 297.7529 -388.9408 -363.1820 760164.0268 -17.5158 -17.6371 PRESSURE: 3993200 -141.196 -57.6314 75.0726 -57.6308 -126.727 102.299 75.0714 102.3 -423.453 GPRESSURE: 3993200 -133.593 -119.757 69.3989 -28.5285 -12.7984 114.271 151.06 101.096 -477.37 PRESSAVG: 3993200 12.6467 -23.9293 -19.668 -23.9293 36.6915 26.7784 -19.668 26.7784 -11.9009 GPRESSAVG: 3993200 13.2747 -25.2548 -19.7708 -21.9568 38.0811 27.0842 -19.7623 26.1644 -14.0747 TIMING: 3993200 CPU: 12681.5, 0.00315405/step Wall: 12681.5, 0.00315405/step, 0.882082 hours remaining, 240.867188 MB of memory in use. ENERGY: 3993200 4073.8991 20366.3635 14509.4206 236.7686 -203709.5116 2626.2028 0.0000 0.0000 52032.7621 -109864.0950 299.0330 -161896.8571 -109498.2044 298.1468 -230.4585 -207.9206 759680.4936 12.4791 12.4271 PRESSURE: 3993400 -12.3298 -228.857 58.896 -228.857 32.8677 0.0404996 58.8967 0.0398134 113.136 GPRESSURE: 3993400 57.2768 -182.253 -29.9661 -189.48 -3.67814 -26.2127 134.897 98.7574 158.699 PRESSAVG: 3993400 29.2191 -3.65497 16.8319 -3.65502 -37.9307 14.3969 16.8319 14.3969 32.0159 GPRESSAVG: 3993400 29.1571 -2.89841 16.4106 -4.07332 -38.3841 14.3086 15.8251 14.8921 32.726 TIMING: 3993400 CPU: 12682.1, 0.00316649/step Wall: 12682.1, 0.00316649/step, 0.885385 hours remaining, 240.867188 MB of memory in use. ENERGY: 3993400 3987.3023 20431.7467 14490.2640 270.6672 -203322.5260 2371.7163 0.0000 0.0000 51911.2091 -109859.6203 298.3344 -161770.8294 -109493.0719 298.9911 44.5580 70.7659 759747.1531 7.7681 7.8330 PRESSURE: 3993600 313.233 -11.127 25.5158 -11.126 -25.5892 318.595 25.5155 318.595 94.7137 GPRESSURE: 3993600 333.422 45.4481 56.3581 -55.3318 33.6977 272.887 -36.22 300.696 82.9775 PRESSAVG: 3993600 18.9148 -30.2465 35.9796 -30.2465 1.27762 -0.651184 35.9796 -0.651243 -20.7019 GPRESSAVG: 3993600 18.6516 -28.5139 36.4989 -33.8632 0.469489 -1.70506 37.3164 1.57441 -20.2368 TIMING: 3993600 CPU: 12682.7, 0.00315499/step Wall: 12682.7, 0.00315499/step, 0.881994 hours remaining, 240.867188 MB of memory in use. ENERGY: 3993600 3916.6507 20417.8325 14471.2421 250.2217 -203551.6005 2677.3490 0.0000 0.0000 51994.4003 -109823.9042 298.8125 -161818.3045 -109460.3250 299.2092 127.4524 150.0324 758436.4786 -0.1698 -0.3719 PRESSURE: 3993800 -217.206 -34.0019 -179.469 -34.0016 -181.369 -151.348 -179.469 -151.347 -201.959 GPRESSURE: 3993800 -122.168 64.1384 -169.858 39.2098 -156.242 -119.868 -202.614 -41.2062 -234.319 PRESSAVG: 3993800 31.7433 -56.1552 -31.2217 -56.1552 -20.2442 -1.96752 -31.2216 -1.96756 -10.7616 GPRESSAVG: 3993800 31.6753 -58.3775 -32.5162 -51.7496 -20.6285 -1.51198 -31.3624 -4.35374 -10.085 TIMING: 3993800 CPU: 12683.4, 0.00319139/step Wall: 12683.4, 0.0031914/step, 0.891995 hours remaining, 240.867188 MB of memory in use. ENERGY: 3993800 4040.1322 20424.3172 14420.3771 254.8209 -203617.9577 2481.8485 0.0000 0.0000 52146.0424 -109850.4196 299.6840 -161996.4619 -109480.4268 298.9010 -200.1782 -170.9096 761844.7875 0.2458 0.3206 PRESSURE: 3994000 -86.9093 -97.2367 -220.199 -97.2356 -120.654 159.487 -220.199 159.486 -150.84 GPRESSURE: 3994000 -51.6004 -118.772 -174.593 -100.679 -21.1671 136.483 -210.757 236.684 -202.488 PRESSAVG: 3994000 21.0696 -61.4959 -4.61236 -61.4959 -6.0248 -24.2254 -4.61232 -24.2253 2.20996 GPRESSAVG: 3994000 20.4743 -58.5137 -2.84274 -62.6456 -4.1618 -24.291 -6.27805 -25.6756 1.05573 TIMING: 3994000 CPU: 12684, 0.00315756/step Wall: 12684, 0.00315756/step, 0.882361 hours remaining, 240.867188 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: 3994000 4042.9955 20326.6528 14497.4126 259.0955 -204058.1717 2674.7629 0.0000 0.0000 52105.1380 -110152.1144 299.4489 -162257.2524 -109785.3272 298.3553 -119.4675 -91.7517 759351.6870 5.7516 5.7894 PRESSURE: 3994200 -575.758 32.2967 8.96385 32.2962 -286.087 120.468 8.96381 120.467 -546.511 GPRESSURE: 3994200 -507.929 17.9993 -85.4578 55.9484 -312.978 214.557 64.0179 199.769 -517.732 PRESSAVG: 3994200 -32.9979 -31.4395 -30.69 -31.4394 41.0091 20.8131 -30.69 20.8131 -11.1259 GPRESSAVG: 3994200 -32.7341 -34.2071 -31.2838 -31.1793 39.9315 23.1779 -29.9267 21.0811 -10.6927 TIMING: 3994200 CPU: 12684.6, 0.00316388/step Wall: 12684.6, 0.00316388/step, 0.883954 hours remaining, 240.867188 MB of memory in use. ENERGY: 3994200 4036.2850 20634.3520 14500.9971 248.9135 -203689.9663 2261.3036 0.0000 0.0000 51715.5739 -110292.5413 297.2101 -162008.1151 -109931.2653 298.1462 -469.4519 -446.2130 760840.4101 -1.0382 -1.1651 PRESSURE: 3994400 -242.302 67.6805 156.824 67.681 93.8861 201.022 156.823 201.022 136.421 GPRESSURE: 3994400 -130.758 55.8698 104.015 1.80145 102.782 201.983 175.272 54.2901 108.04 PRESSAVG: 3994400 36.0544 -30.6297 66.8805 -30.6297 -20.4565 27.9413 66.8806 27.9413 4.2889 GPRESSAVG: 3994400 35.3977 -30.3547 65.8381 -30.3027 -20.8584 25.3581 66.4673 28.037 5.26712 TIMING: 3994400 CPU: 12685.3, 0.0031611/step Wall: 12685.3, 0.0031611/step, 0.883001 hours remaining, 240.867188 MB of memory in use. ENERGY: 3994400 3958.1318 20495.6309 14432.3270 231.0549 -203660.0377 2696.5400 0.0000 0.0000 51703.1325 -110143.2205 297.1386 -161846.3531 -109783.2592 298.0901 -3.9985 26.6880 760517.2855 6.6289 6.6021 PRESSURE: 3994600 -269.166 -73.9582 73.8096 -73.9585 -87.6227 -10.5711 73.8099 -10.5712 32.1422 GPRESSURE: 3994600 -126.116 -130.606 81.796 36.8808 -143.116 35.395 13.628 80.3379 32.4369 PRESSAVG: 3994600 21.7895 -58.8373 16.7482 -58.8373 7.19523 2.53731 16.7482 2.53732 8.89513 GPRESSAVG: 3994600 21.8391 -57.3589 18.0365 -58.2625 7.91098 3.68148 18.0121 5.63892 8.18949 TIMING: 3994600 CPU: 12685.9, 0.00315237/step Wall: 12685.9, 0.00315237/step, 0.880388 hours remaining, 240.867188 MB of memory in use. ENERGY: 3994600 3990.9589 20574.1192 14443.4224 256.2305 -203737.1956 2540.1787 0.0000 0.0000 51894.1386 -110038.1472 298.2363 -161932.2858 -109687.0377 298.7773 -108.2154 -78.9315 758660.2635 12.6266 12.6465 PRESSURE: 3994800 72.5555 -26.0599 -139.852 -26.0604 -80.1859 114.521 -139.852 114.522 -213.272 GPRESSURE: 3994800 112.994 -78.2671 -153.614 3.36434 -6.8482 132.615 -8.25466 -41.6941 -239.071 PRESSAVG: 3994800 64.8085 -65.6961 25.3538 -65.6961 -26.7309 36.5776 25.3539 36.5777 0.0339799 GPRESSAVG: 3994800 65.1941 -66.8161 23.2586 -67.0467 -27.5199 35.6995 25.6304 34.5699 0.585915 TIMING: 3994800 CPU: 12686.5, 0.00315264/step Wall: 12686.5, 0.00315264/step, 0.880288 hours remaining, 240.867188 MB of memory in use. ENERGY: 3994800 3953.5581 20496.5711 14388.5983 239.4613 -203502.8665 2604.1438 0.0000 0.0000 51917.0476 -109903.4863 298.3680 -161820.5339 -109539.6713 298.9135 -73.6341 -44.3086 760501.9531 12.7039 12.7534 PRESSURE: 3995000 229.766 14.2876 -205.781 14.288 -205.457 90.6127 -205.782 90.6126 470.137 GPRESSURE: 3995000 255.237 3.4226 -237.22 120.659 -108.978 -13.1241 -129.138 70.6834 426.435 PRESSAVG: 3995000 -0.239712 -52.0546 8.94754 -52.0546 -7.16766 36.1701 8.94758 36.1701 -0.867228 GPRESSAVG: 3995000 0.623244 -52.0558 9.93505 -49.3286 -7.99359 36.6379 7.54489 34.6276 -0.664401 TIMING: 3995000 CPU: 12687.2, 0.00314556/step Wall: 12687.2, 0.00314556/step, 0.878135 hours remaining, 240.867188 MB of memory in use. ENERGY: 3995000 3984.3850 20464.4595 14380.4269 251.9543 -203607.8814 2643.6365 0.0000 0.0000 52024.0534 -109858.9657 298.9829 -161883.0191 -109493.7845 298.7950 164.8154 190.8982 760589.1471 -2.7582 -2.6783 PRESSURE: 3995200 94.9398 266.997 -42.0936 266.997 251.982 -78.7913 -42.0941 -78.7907 -77.8012 GPRESSURE: 3995200 197.784 151.006 -24.0957 275.888 243.251 -94.3081 9.43426 -161.37 -76.9116 PRESSAVG: 3995200 54.4579 -22.4055 47.4632 -22.4055 -66.4614 26.5527 47.4632 26.5527 3.07977 GPRESSAVG: 3995200 54.1405 -21.4668 46.4785 -24.2837 -65.6015 27.348 47.6395 26.9223 2.2916 TIMING: 3995200 CPU: 12687.8, 0.00314407/step Wall: 12687.8, 0.00314407/step, 0.877545 hours remaining, 240.867188 MB of memory in use. ENERGY: 3995200 3960.4524 20482.1126 14508.6844 252.9414 -203841.8517 2705.7577 0.0000 0.0000 52456.9020 -109475.0012 301.4705 -161931.9032 -109103.1584 299.1594 89.7070 121.3747 759819.9384 -2.9746 -3.0565 PRESSURE: 3995400 101.422 -62.8085 311.314 -62.8083 14.2087 55.0429 311.312 55.0422 120.092 GPRESSURE: 3995400 141.04 -106.098 282.717 -124.489 94.8178 80.3675 267.004 11.6563 104.489 PRESSAVG: 3995400 50.5933 -47.5437 36.3712 -47.5437 -93.4717 -9.8534 36.3711 -9.85339 -7.51397 GPRESSAVG: 3995400 51.5815 -48.2729 37.7981 -46.0431 -92.6379 -9.56532 35.6727 -10.7035 -8.47828 TIMING: 3995400 CPU: 12688.4, 0.00315642/step Wall: 12688.4, 0.00315642/step, 0.880815 hours remaining, 240.867188 MB of memory in use. ENERGY: 3995400 4005.2147 20291.5181 14510.1507 241.5635 -203474.7281 2646.8386 0.0000 0.0000 52289.2162 -109490.2264 300.5068 -161779.4426 -109124.4190 299.8726 78.5742 113.4491 760939.6667 -16.7975 -16.5116 PRESSURE: 3995600 -74.1758 162.475 99.5352 162.475 93.3236 48.5885 99.5349 48.5883 176.765 GPRESSURE: 3995600 -31.2189 113.981 105.916 154.542 74.9522 90.4797 201.901 61.3585 227.803 PRESSAVG: 3995600 67.9619 -33.8387 29.7842 -33.8387 -107.42 -3.92968 29.7841 -3.92967 17.3495 GPRESSAVG: 3995600 68.9509 -34.5449 28.9642 -34.5519 -108.609 -5.74777 28.5841 -1.40702 17.7307 TIMING: 3995600 CPU: 12689.1, 0.00313438/step Wall: 12689.1, 0.00313438/step, 0.874492 hours remaining, 240.867188 MB of memory in use. ENERGY: 3995600 3909.5479 20694.2264 14520.4320 280.7484 -203373.3012 2530.2155 0.0000 0.0000 52127.4907 -109310.6403 299.5774 -161438.1310 -108951.9503 299.8622 65.3043 90.5122 760871.0918 -7.3696 -7.3091 PRESSURE: 3995800 -510.595 -28.3159 171.331 -28.3161 -78.7556 -151.62 171.332 -151.62 -111.754 GPRESSURE: 3995800 -471.715 43.2345 219.425 -100.361 -100.579 -228.41 115.215 -195.032 -44.2611 PRESSAVG: 3995800 52.0931 -67.4532 -32.6142 -67.4533 -49.598 -6.26277 -32.6143 -6.26278 -29.2345 GPRESSAVG: 3995800 49.5847 -66.851 -31.7448 -69.4515 -47.8063 -6.85975 -29.1733 -7.76907 -28.0957 TIMING: 3995800 CPU: 12689.7, 0.00311978/step Wall: 12689.7, 0.00311978/step, 0.870245 hours remaining, 240.867188 MB of memory in use. ENERGY: 3995800 4010.9433 20591.0911 14526.4066 231.1170 -202856.6045 2206.9283 0.0000 0.0000 52044.5823 -109245.5359 299.1009 -161290.1182 -108884.6106 299.8019 -233.7015 -205.5185 761444.6092 -8.9132 -8.7724 PRESSURE: 3996000 120.156 96.7783 208.74 96.7783 131.715 -42.0529 208.741 -42.0528 -43.2022 GPRESSURE: 3996000 117.395 -53.8795 178.169 59.6363 199.119 -104.154 177.306 -11.4643 -33.8699 PRESSAVG: 3996000 22.3594 36.9903 74.6427 36.9904 -31.3445 4.28584 74.6427 4.28579 12.7132 GPRESSAVG: 3996000 24.7806 36.7535 73.3336 38.4777 -33.0954 5.25683 72.5595 4.92307 12.0951 TIMING: 3996000 CPU: 12690.3, 0.00313284/step Wall: 12690.3, 0.00313284/step, 0.873714 hours remaining, 240.867188 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: 3996000 4037.1458 20493.2806 14427.3605 254.4101 -203376.5596 2707.7623 0.0000 0.0000 52260.0324 -109196.5678 300.3391 -161456.6002 -108836.1097 300.4090 69.5561 94.2148 761592.4301 1.2427 1.2601 PRESSURE: 3996200 108.013 133.529 -21.8381 133.529 -202.2 49.4269 -21.8382 49.4273 -66.2979 GPRESSURE: 3996200 146.727 -0.00410001 37.4856 103.619 -162.696 147.299 -19.0211 93.7813 -42.4353 PRESSAVG: 3996200 81.7383 -2.40246 56.9873 -2.40252 -66.6164 -15.1077 56.9873 -15.1076 -29.0898 GPRESSAVG: 3996200 80.787 -2.32098 57.0258 -2.99878 -65.3492 -15.5563 58.2708 -12.6587 -28.7919 TIMING: 3996200 CPU: 12690.9, 0.00314355/step Wall: 12690.9, 0.00314355/step, 0.876525 hours remaining, 240.867188 MB of memory in use. ENERGY: 3996200 4057.9226 20458.3689 14514.9009 232.9846 -203658.6218 2604.9595 0.0000 0.0000 52322.6291 -109466.8561 300.6989 -161789.4852 -109086.6205 300.0121 -53.4948 -19.4681 760797.1006 -4.6560 -4.4514 LDB: ============= START OF LOAD BALANCING ============== 12703.4 LDB: ============== END OF LOAD BALANCING =============== 12703.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12703.4 LDB: ============= START OF LOAD BALANCING ============== 12703.7 LDB: Largest compute 7056 load 0.037803 is 19.3% of average load 0.195429 LDB: Average compute 0.004370 is 2.2% of average load 0.195429 LDB: TIME 12703.7 LOAD: AVG 0.195429 MAX 0.214343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 12703.7 LOAD: AVG 0.195429 MAX 0.214343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 12703.7 LOAD: AVG 0.195429 MAX 0.214343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 12703.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12703.7 PRESSURE: 3996400 113.36 -128.953 -45.1936 -128.953 -241.62 252.877 -45.1934 252.877 673.066 GPRESSURE: 3996400 150.697 -20.4013 -59.2171 -113.613 -105.575 229.13 8.23116 307.861 582.348 PRESSAVG: 3996400 31.2348 -24.7786 -58.0335 -24.7786 -25.1713 13.5229 -58.0335 13.5229 -22.4043 GPRESSAVG: 3996400 32.8092 -23.9015 -57.9816 -24.8636 -26.7026 13.5443 -58.6807 14.0853 -22.9971 TIMING: 3996400 CPU: 12691.6, 0.00320512/step Wall: 12691.6, 0.00320512/step, 0.893516 hours remaining, 239.835938 MB of memory in use. ENERGY: 3996400 4000.7382 20483.9102 14533.2077 261.8007 -203706.2122 2595.1252 0.0000 0.0000 52103.2235 -109728.2069 299.4379 -161831.4303 -109369.8632 299.4088 181.6019 209.1566 759798.9832 -5.4470 -5.6302 PRESSURE: 3996600 376.648 145.853 120.575 145.853 5.9831 -206.263 120.576 -206.262 -334.991 GPRESSURE: 3996600 343.667 157.612 125.632 74.5915 52.1314 -158.027 20.7843 -182.196 -259.029 PRESSAVG: 3996600 13.3565 -27.7685 -21.4157 -27.7685 -59.6058 -6.85979 -21.4157 -6.85979 -11.5172 GPRESSAVG: 3996600 12.1998 -27.9817 -21.1826 -28.1271 -58.7495 -5.21448 -20.7279 -8.77989 -11.5073 TIMING: 3996600 CPU: 12692.2, 0.00314521/step Wall: 12692.2, 0.00314521/step, 0.876639 hours remaining, 239.835938 MB of memory in use. ENERGY: 3996600 4016.3075 20571.8774 14476.6639 240.6846 -203591.9581 2490.3735 0.0000 0.0000 52161.2405 -109634.8108 299.7714 -161796.0513 -109270.2707 299.0340 15.8799 45.5897 761998.6454 -19.2555 -19.3523 PRESSURE: 3996800 -32.832 -7.07215 81.7112 -7.0725 18.8418 155.65 81.7112 155.65 -314.694 GPRESSURE: 3996800 60.8684 73.801 66.0939 -42.8527 72.9002 113.815 62.4073 223.377 -393.56 PRESSAVG: 3996800 58.5793 -16.7043 3.63931 -16.7042 -66.2914 -14.8513 3.63931 -14.8513 26.4619 GPRESSAVG: 3996800 59.4318 -16.7026 4.11948 -17.0166 -65.8617 -15.3212 3.65511 -16.3479 25.4652 TIMING: 3996800 CPU: 12692.8, 0.00313507/step Wall: 12692.8, 0.00313507/step, 0.873638 hours remaining, 239.835938 MB of memory in use. ENERGY: 3996800 3964.8501 20292.6306 14542.2371 249.9133 -203702.6902 2779.2317 0.0000 0.0000 52190.8048 -109683.0226 299.9413 -161873.8274 -109321.3512 299.3862 -109.5615 -86.5970 760906.4952 6.2500 6.3451 PRESSURE: 3997000 -1.23871 -79.2427 -307.322 -79.2429 -511.854 63.7461 -307.322 63.7459 -107.434 GPRESSURE: 3997000 -63.6359 -81.1677 -278.238 48.3831 -459.774 57.4823 -226.34 82.3905 -18.1884 PRESSAVG: 3997000 53.3651 21.4855 31.1659 21.4854 -34.3092 -10.5895 31.1659 -10.5896 -23.464 GPRESSAVG: 3997000 52.6595 18.2872 31.6623 23.0669 -35.4815 -9.41759 31.3884 -11.5507 -21.9616 TIMING: 3997000 CPU: 12693.5, 0.00313688/step Wall: 12693.5, 0.00313688/step, 0.873969 hours remaining, 239.835938 MB of memory in use. ENERGY: 3997000 4011.2351 20432.9972 14465.0785 262.4836 -203179.0875 2424.6259 0.0000 0.0000 51869.3395 -109713.3277 298.0938 -161582.6672 -109348.9178 299.2988 -206.8421 -180.5327 762350.8436 -1.4694 -1.5945 PRESSURE: 3997200 313.293 -48.0028 -160.788 -48.0029 -99.5962 114.621 -160.787 114.621 20.8679 GPRESSURE: 3997200 394.656 -14.5671 -162.325 62.2515 -58.2811 153.935 -67.3732 57.8602 -1.92966 PRESSAVG: 3997200 20.3919 12.4069 22.9098 12.4069 -87.0931 69.1269 22.9098 69.127 -5.61406 GPRESSAVG: 3997200 20.7092 15.1593 22.8929 11.6605 -86.0986 69.1772 23.6145 70.7444 -6.55095 TIMING: 3997200 CPU: 12694.1, 0.00312919/step Wall: 12694.1, 0.00312919/step, 0.871653 hours remaining, 239.835938 MB of memory in use. ENERGY: 3997200 3995.4203 20464.9669 14495.0897 223.2380 -204058.8666 2778.4557 0.0000 0.0000 52223.1943 -109878.5017 300.1274 -162101.6960 -109503.5944 299.1150 78.1881 111.4819 759299.0648 -24.1051 -23.9801 PRESSURE: 3997400 70.6584 -178.149 -158.998 -178.15 -170.959 -106.714 -158.997 -106.714 47.177 GPRESSURE: 3997400 133.591 -136.421 -172.601 -237.552 -167.602 -158.139 -133.622 -76.5135 71.2147 PRESSAVG: 3997400 91.6613 5.50987 44.2582 5.50986 -45.2034 29.1992 44.2583 29.1993 33.7034 GPRESSAVG: 3997400 91.4923 3.93736 43.1188 4.71443 -45.2996 27.5565 43.3561 28.3542 33.8938 TIMING: 3997400 CPU: 12694.7, 0.00313029/step Wall: 12694.7, 0.00313029/step, 0.871785 hours remaining, 239.835938 MB of memory in use. ENERGY: 3997400 3976.0424 20428.8132 14445.3099 220.6932 -203279.5289 2269.2518 0.0000 0.0000 51973.9549 -109965.4635 298.6950 -161939.4184 -109597.3135 299.1148 -17.7080 12.4012 759960.8444 26.7204 26.6955 PRESSURE: 3997600 28.5962 14.0232 -81.7035 14.0237 446.203 -144.286 -81.7035 -144.286 640.301 GPRESSURE: 3997600 231.724 33.339 -88.5387 -65.6204 330.048 -52.8052 -98.0065 -87.2935 619.967 PRESSAVG: 3997600 10.4205 10.3142 -54.4302 10.3142 -55.5785 54.0628 -54.4302 54.0627 -25.6603 GPRESSAVG: 3997600 12.3372 11.8427 -53.8485 9.19273 -56.6101 54.3706 -55.2016 53.6769 -26.5687 TIMING: 3997600 CPU: 12695.3, 0.00314035/step Wall: 12695.3, 0.00314035/step, 0.874412 hours remaining, 239.835938 MB of memory in use. ENERGY: 3997600 3952.7216 20755.6376 14512.4923 239.7362 -203774.7931 2529.6070 0.0000 0.0000 52056.5974 -109728.0010 299.1700 -161784.5984 -109370.0110 298.8519 371.7000 393.9128 759176.6446 -23.6061 -23.6139 PRESSURE: 3997800 284.77 -25.7914 120.842 -25.7918 117.995 -136.493 120.843 -136.492 41.8035 GPRESSURE: 3997800 230.247 3.38887 162.584 19.822 181.376 -139.326 116.71 -260.121 102.511 PRESSAVG: 3997800 77.4323 -21.4517 -12.1711 -21.4518 -50.9878 71.6129 -12.1711 71.6129 10.2866 GPRESSAVG: 3997800 75.7093 -21.276 -13.1749 -20.2469 -50.2275 70.9061 -11.9757 73.4331 10.7276 TIMING: 3997800 CPU: 12696, 0.00313828/step Wall: 12696, 0.00313828/step, 0.873664 hours remaining, 239.835938 MB of memory in use. ENERGY: 3997800 3947.6414 20565.7798 14545.0205 247.8016 -203873.4467 2785.9789 0.0000 0.0000 52097.8390 -109683.3855 299.4070 -161781.2245 -109321.8776 299.3441 148.1896 171.3779 759588.2531 12.2437 12.0698 PRESSURE: 3998000 388.349 -51.8395 -39.5115 -51.8401 -416.151 -20.3836 -39.5113 -20.3844 -47.972 GPRESSURE: 3998000 328.927 -184.659 -139.77 115.882 -348.458 -22.118 -27.0429 -3.55029 25.8934 PRESSAVG: 3998000 9.52766 -31.963 32.5356 -31.9631 -63.6582 24.8961 32.5356 24.8961 16.077 GPRESSAVG: 3998000 9.26199 -30.8786 33.5022 -30.9341 -62.2459 25.3382 31.9156 23.6042 15.2064 TIMING: 3998000 CPU: 12696.6, 0.00314394/step Wall: 12696.6, 0.00314394/step, 0.875063 hours remaining, 239.835938 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: 3998000 3971.3738 20602.1716 14516.9145 242.9547 -203020.8322 2245.9669 0.0000 0.0000 52063.9873 -109377.4634 299.2125 -161441.4508 -109008.4785 299.7844 -25.2579 2.1207 762071.8474 -12.6845 -12.5925 PRESSURE: 3998200 -372.701 -21.5777 -288.618 -21.5781 -479.562 -99.628 -288.618 -99.6279 -524.389 GPRESSURE: 3998200 -384.279 -39.3968 -309.533 -243.509 -396.368 -134.332 -249.391 -202.895 -503.142 PRESSAVG: 3998200 9.25522 -61.8461 -4.76192 -61.8461 -62.3085 24.1719 -4.76192 24.172 -15.3697 GPRESSAVG: 3998200 9.47042 -63.4434 -4.41565 -64.06 -63.6192 24.3019 -4.13596 25.3313 -14.0929 TIMING: 3998200 CPU: 12697.2, 0.00313847/step Wall: 12697.2, 0.00313847/step, 0.873367 hours remaining, 239.835938 MB of memory in use. ENERGY: 3998200 4078.7689 20604.1695 14539.8938 250.2647 -202979.3674 2078.2922 0.0000 0.0000 51998.1484 -109429.8299 298.8341 -161427.9783 -109071.1506 299.4434 -458.8837 -427.9295 762528.5753 -22.8077 -22.7472 PRESSURE: 3998400 -27.2586 67.7902 70.3069 67.7898 -112.861 12.1408 70.3075 12.1404 -270.259 GPRESSURE: 3998400 -103.531 206.906 105.88 206.77 -31.6477 -14.2115 98.4006 65.3245 -193.463 PRESSAVG: 3998400 6.42012 -14.4457 33.8684 -14.4457 -7.77962 22.0682 33.8683 22.0682 5.8364 GPRESSAVG: 3998400 6.33754 -14.4092 33.5021 -12.8801 -8.13827 21.7611 34.2352 20.7178 6.07191 TIMING: 3998400 CPU: 12697.8, 0.00314583/step Wall: 12697.8, 0.00314583/step, 0.875239 hours remaining, 239.835938 MB of memory in use. ENERGY: 3998400 4022.1558 20363.3444 14519.8062 266.4013 -203284.9221 2496.7546 0.0000 0.0000 52087.9792 -109528.4806 299.3503 -161616.4598 -109161.0860 298.9130 -136.7928 -109.5470 763169.2789 1.4923 1.4237 PRESSURE: 3998600 -69.4214 -56.7176 -257.642 -56.718 87.4661 2.12318 -257.642 2.12264 -264.949 GPRESSURE: 3998600 -67.0892 38.4791 -219.771 79.4623 180.35 -40.4368 -203.455 79.8312 -282.544 PRESSAVG: 3998600 -13.7329 -33.9543 -25.0766 -33.9543 -35.3912 -14.649 -25.0766 -14.649 -0.690908 GPRESSAVG: 3998600 -14.667 -32.6561 -22.625 -32.4296 -34.059 -13.5302 -25.3018 -12.9819 -1.07668 TIMING: 3998600 CPU: 12698.5, 0.00314592/step Wall: 12698.5, 0.00314592/step, 0.875089 hours remaining, 239.835938 MB of memory in use. ENERGY: 3998600 3981.2089 20418.8461 14482.1188 260.8157 -203567.3946 2583.0549 0.0000 0.0000 52216.0255 -109625.3247 300.0862 -161841.3502 -109258.1333 299.3178 -82.3014 -56.4275 763348.6506 -16.6050 -16.6009 PRESSURE: 3998800 -62.8489 -104.784 124.012 -104.783 -145.929 -115.403 124.012 -115.404 -160.813 GPRESSURE: 3998800 -24.8114 -12.3643 79.1547 -57.519 -60.5682 -183.761 13.444 -36.3695 -187.606 PRESSAVG: 3998800 -7.71325 -40.7849 7.27459 -40.7848 41.0387 -32.5733 7.27455 -32.5734 5.13511 GPRESSAVG: 3998800 -7.48319 -40.2268 5.42752 -41.6555 41.6624 -32.5245 6.93629 -32.1049 4.40737 TIMING: 3998800 CPU: 12699.1, 0.00313524/step Wall: 12699.1, 0.00313524/step, 0.871946 hours remaining, 239.835938 MB of memory in use. ENERGY: 3998800 4018.3933 20307.1408 14538.5619 244.0514 -203051.4381 2269.8477 0.0000 0.0000 52158.9602 -109514.4828 299.7583 -161673.4430 -109149.7693 299.0742 -123.1969 -90.9951 763218.3592 12.8202 12.8622 PRESSURE: 3999000 -84.9802 185.478 1.74269 185.477 -55.0489 -87.718 1.74253 -87.718 -120.14 GPRESSURE: 3999000 8.05458 213.313 -20.5976 209.948 -95.269 -6.32533 163.778 42.5577 -77.9763 PRESSAVG: 3999000 54.4569 -1.84791 9.85947 -1.84791 -73.6402 -31.8317 9.85959 -31.8317 -14.3061 GPRESSAVG: 3999000 55.8339 -3.29365 9.81825 -2.85802 -74.264 -33.066 11.3591 -30.8235 -14.4944 TIMING: 3999000 CPU: 12699.7, 0.00313789/step Wall: 12699.7, 0.00313789/step, 0.872507 hours remaining, 239.835938 MB of memory in use. ENERGY: 3999000 4017.0541 20399.0493 14478.8488 236.3639 -203264.0265 2427.5690 0.0000 0.0000 52153.4896 -109551.6519 299.7268 -161705.1415 -109196.6106 299.3556 -86.7229 -55.0636 762241.9379 -11.1631 -10.9748 PRESSURE: 3999200 123.795 174.907 125.146 174.907 -161.583 -103.711 125.144 -103.711 -220.373 GPRESSURE: 3999200 220.997 141.769 145.503 149.366 -130.982 -112.015 -16.4797 -8.37733 -267.96 PRESSAVG: 3999200 45.5263 -15.8819 -60.9697 -15.882 -75.2336 -12.3725 -60.9697 -12.3725 4.98267 GPRESSAVG: 3999200 45.7497 -14.9464 -61.765 -16.6743 -75.5387 -12.0118 -62.3492 -12.3113 4.879 TIMING: 3999200 CPU: 12700.4, 0.00313608/step Wall: 12700.4, 0.00313608/step, 0.87183 hours remaining, 239.835938 MB of memory in use. ENERGY: 3999200 3996.1281 20500.6796 14565.0340 239.3103 -203490.9394 2601.6531 0.0000 0.0000 52240.4679 -109347.6663 300.2267 -161588.1342 -108974.4971 299.0724 -86.0536 -59.3150 760892.7905 -8.2416 -8.3033 PRESSURE: 3999400 -110.029 -169.769 -87.8235 -169.769 -164.838 357.957 -87.8242 357.957 -183.081 GPRESSURE: 3999400 -50.7387 -353.778 90.8612 -124.134 -136.259 223.993 -0.160171 182.236 -197.085 PRESSAVG: 3999400 14.2747 -83.4649 -32.82 -83.465 -39.0511 -58.6839 -32.82 -58.6838 8.92226 GPRESSAVG: 3999400 14.6105 -84.4692 -31.0781 -83.6456 -39.9727 -60.5981 -32.196 -60.4892 8.85406 TIMING: 3999400 CPU: 12701, 0.00315404/step Wall: 12701, 0.00315405/step, 0.876649 hours remaining, 239.835938 MB of memory in use. ENERGY: 3999400 3990.2795 20652.9244 14455.6665 230.4262 -203462.9087 2609.3316 0.0000 0.0000 52090.6546 -109433.6260 299.3657 -161524.2806 -109065.8975 299.2166 -152.6493 -128.0276 760760.9244 -5.2847 -5.5027 PRESSURE: 3999600 102.73 27.8978 98.3673 27.8979 -25.0529 -182.609 98.3663 -182.609 103.334 GPRESSURE: 3999600 112.844 138.219 56.0421 -107.085 -7.24278 -257.597 100.685 -266.426 171.334 PRESSAVG: 3999600 27.0221 -24.5581 -36.9118 -24.5581 -27.547 -31.184 -36.9118 -31.1839 -9.71275 GPRESSAVG: 3999600 26.1248 -24.3538 -37.1032 -22.8633 -27.6901 -30.7192 -37.6296 -31.7218 -8.99794 TIMING: 3999600 CPU: 12701.6, 0.00315211/step Wall: 12701.6, 0.00315211/step, 0.875937 hours remaining, 239.835938 MB of memory in use. ENERGY: 3999600 4028.4270 20483.9283 14573.3631 247.2091 -203529.2651 2756.1663 0.0000 0.0000 51869.3905 -109570.7808 298.0941 -161440.1713 -109209.0197 298.8850 60.3370 92.3118 761156.5097 -3.4125 -3.5211 PRESSURE: 3999800 237.867 -271.065 -145.678 -271.064 8.73367 22.2244 -145.678 22.2246 156.424 GPRESSURE: 3999800 284.276 -154.71 -102.836 -271.448 81.8987 -37.6255 -100.635 109.554 129.743 PRESSAVG: 3999800 -3.42074 -29.2095 -44.0535 -29.2094 -13.0226 2.58662 -44.0535 2.58669 -3.384 GPRESSAVG: 3999800 -4.38718 -27.9571 -44.9606 -30.4546 -11.6951 3.92966 -44.3013 2.28492 -3.58583 TIMING: 3999800 CPU: 12702.3, 0.00316653/step Wall: 12702.3, 0.00316653/step, 0.879767 hours remaining, 239.835938 MB of memory in use. ENERGY: 3999800 4053.3595 20615.0892 14532.9651 235.5732 -203540.9306 2790.6096 0.0000 0.0000 51850.4319 -109462.9022 297.9851 -161313.3341 -109107.1429 299.4273 134.3416 165.3059 761171.3306 -6.6091 -6.5560 WRITING COORDINATES TO DCD FILE MD.2.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 63.5568 4.74072 -7.66014 4.7418 90.6231 57.5153 -7.66005 57.5164 119.112 GPRESSURE: 4000000 111.204 -26.2561 33.1262 35.7578 64.4123 63.8674 -5.25347 -49.1682 169.176 PRESSAVG: 4000000 -4.66346 -9.39177 -37.3654 -9.39173 4.34069 47.2227 -37.3654 47.2227 -7.81092 GPRESSAVG: 4000000 -3.96665 -10.3148 -35.2356 -8.95591 4.01259 46.5938 -37.5707 47.9658 -8.15463 TIMING: 4000000 CPU: 12702.9, 0.00326852/step Wall: 12702.9, 0.00326852/step, 0.907923 hours remaining, 239.835938 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: 4000000 4005.7876 20377.4064 14452.2309 245.6882 -203468.5911 2591.2802 0.0000 0.0000 52120.9420 -109675.2557 299.5398 -161796.1978 -109313.5288 299.4761 91.0973 114.9307 760217.2551 -2.7112 -2.7029 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 PRESSURE: 4000200 163.291 71.9564 -62.1059 71.9572 305.007 274.854 -62.1057 274.853 139.982 GPRESSURE: 4000200 136.353 123.23 -86.06 -5.99455 419.99 245.621 -99.8101 232.249 142.327 PRESSAVG: 4000200 -13.1429 -12.8051 13.9047 -12.8051 -45.0369 21.591 13.9047 21.591 16.4911 GPRESSAVG: 4000200 -14.0828 -10.761 11.2991 -12.0794 -44.4485 22.6786 13.3143 21.8426 16.414 TIMING: 4000200 CPU: 12703.5, 0.00317197/step Wall: 12703.5, 0.00317197/step, 0.880927 hours remaining, 239.835938 MB of memory in use. ENERGY: 4000200 3929.7804 20463.3847 14462.1958 244.0912 -203152.0771 2501.6401 0.0000 0.0000 51916.4443 -109634.5406 298.3645 -161550.9849 -109281.4773 298.3235 202.7600 232.8899 759082.7553 -13.8962 -14.0391 LDB: ============= START OF LOAD BALANCING ============== 12716 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12716 LDB: =============== DONE WITH MIGRATION ================ 12716 LDB: ============= START OF LOAD BALANCING ============== 12716.3 LDB: Largest compute 7056 load 0.037573 is 19.2% of average load 0.195383 LDB: Average compute 0.004375 is 2.2% of average load 0.195383 LDB: TIME 12716.3 LOAD: AVG 0.195383 MAX 0.213062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 12716.3 LOAD: AVG 0.195383 MAX 0.213062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: TIME 12716.3 LOAD: AVG 0.195383 MAX 0.213062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: ============== END OF LOAD BALANCING =============== 12716.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12716.3 PRESSURE: 4000400 239.418 -102.125 -9.08638 -102.125 158.057 -159.884 -9.08675 -159.883 199.44 GPRESSURE: 4000400 222.241 -95.705 74.6504 -104.95 264.898 -175.589 15.8171 -101.6 206.251 PRESSAVG: 4000400 22.7183 -30.8158 -9.18718 -30.8157 53.2554 -75.5978 -9.18723 -75.5978 -9.29477 GPRESSAVG: 4000400 21.6699 -33.4205 -9.43232 -31.5727 53.8891 -76.399 -8.77169 -75.1203 -8.77813 TIMING: 4000400 CPU: 12704.2, 0.00323389/step Wall: 12704.2, 0.00323389/step, 0.897945 hours remaining, 240.425781 MB of memory in use. ENERGY: 4000400 3925.1952 20549.5656 14521.4423 241.9348 -203203.3016 2521.0682 0.0000 0.0000 51905.4850 -109538.6106 298.3015 -161444.0956 -109177.0071 298.5711 198.9718 231.1299 759911.7699 22.2263 22.2603 PRESSURE: 4000600 15.2257 -85.8064 -79.3819 -85.8059 -88.1426 80.75 -79.3824 80.7499 -190.378 GPRESSURE: 4000600 122.681 -46.6429 -48.4437 -160.846 -172.389 31.4296 7.52391 49.1484 -128.452 PRESSAVG: 4000600 44.3506 -58.1935 -30.4454 -58.1936 -62.929 -73.4073 -30.4454 -73.4073 4.54063 GPRESSAVG: 4000600 45.4126 -58.6165 -29.0733 -58.6951 -64.3068 -73.9646 -29.7853 -72.2636 4.16466 TIMING: 4000600 CPU: 12704.8, 0.00313665/step Wall: 12704.8, 0.00313665/step, 0.870768 hours remaining, 240.425781 MB of memory in use. ENERGY: 4000600 3964.0390 20439.3925 14437.5745 266.5158 -202803.0332 2237.8428 0.0000 0.0000 51938.5182 -109519.1504 298.4914 -161457.6686 -109165.3499 298.8387 -87.7650 -59.3868 760098.9910 -4.6793 -4.9098 PRESSURE: 4000800 -126.28 167.313 -52.1713 167.312 138.421 -217.483 -52.1714 -217.485 -12.8565 GPRESSURE: 4000800 6.761 104.887 -30.6805 109.604 132.446 -233.438 1.56155 -120.48 -68.4158 PRESSAVG: 4000800 4.69581 -45.1288 -33.3541 -45.1289 -9.46334 -45.6181 -33.3541 -45.6181 18.5963 GPRESSAVG: 4000800 4.93938 -44.7193 -32.9909 -43.7076 -9.50576 -44.1322 -33.6416 -47.4032 18.4237 TIMING: 4000800 CPU: 12705.4, 0.00314605/step Wall: 12705.4, 0.00314605/step, 0.873204 hours remaining, 240.425781 MB of memory in use. ENERGY: 4000800 3917.9054 20517.0520 14464.7268 262.9046 -203431.4833 2734.0048 0.0000 0.0000 51977.0799 -109557.8099 298.7130 -161534.8897 -109194.2983 299.2778 -0.2385 23.5972 760420.0149 4.6096 4.6191 PRESSURE: 4001000 -60.7884 -77.4356 -214.57 -77.4351 13.4784 -128.332 -214.57 -128.332 -38.5673 GPRESSURE: 4001000 -42.0912 -24.4508 -253.22 -28.8888 23.4029 -23.1817 -250.75 -196.759 41.7662 PRESSAVG: 4001000 -18.9637 -52.6947 -28.8117 -52.6948 19.8334 -14.1448 -28.8118 -14.1448 -26.5552 GPRESSAVG: 4001000 -17.6107 -53.1383 -28.5445 -53.408 19.6049 -15.6572 -30.2912 -12.8311 -26.7446 TIMING: 4001000 CPU: 12706.1, 0.00316524/step Wall: 12706.1, 0.00316524/step, 0.878354 hours remaining, 240.425781 MB of memory in use. ENERGY: 4001000 3967.0785 20450.1569 14519.9283 237.6035 -203103.7648 2211.5236 0.0000 0.0000 52131.2976 -109586.1766 299.5993 -161717.4741 -109217.8811 299.1209 -28.6257 7.6927 760573.3838 -8.5618 -8.2501 PRESSURE: 4001200 67.1142 -18.9403 -152.313 -18.9418 -359.815 2.5783 -152.313 2.57904 -163.062 GPRESSURE: 4001200 17.8069 -61.23 -127.849 -48.2605 -266.262 -56.5894 -136.925 159.656 -113.318 PRESSAVG: 4001200 64.1897 -62.6678 20.8509 -62.6678 -10.5695 9.39915 20.851 9.39906 14.8736 GPRESSAVG: 4001200 62.714 -61.7941 19.2528 -62.7662 -10.0766 11.075 24.4392 9.559 15.3306 TIMING: 4001200 CPU: 12706.7, 0.00314004/step Wall: 12706.7, 0.00314004/step, 0.871187 hours remaining, 240.425781 MB of memory in use. ENERGY: 4001200 3985.1023 20509.4260 14534.2457 248.0117 -203391.3116 2449.3916 0.0000 0.0000 51921.4639 -109743.6705 298.3934 -161665.1344 -109376.9508 298.7447 -151.9209 -120.5912 759723.5723 22.8312 22.6560 PRESSURE: 4001400 -144.125 89.8183 105.994 89.8187 -572.753 30.2971 105.995 30.2972 -104.576 GPRESSURE: 4001400 -138.582 259.785 125.873 34.9824 -558.005 151.137 -70.4097 33.522 -38.6201 PRESSAVG: 4001400 -3.78873 -40.166 -65.1154 -40.1659 -2.42401 -15.6831 -65.1154 -15.6831 -2.75838 GPRESSAVG: 4001400 -3.70497 -38.9996 -63.5354 -41.0936 -2.65587 -15.8079 -69.7344 -16.5072 -2.93786 TIMING: 4001400 CPU: 12707.3, 0.00313481/step Wall: 12707.3, 0.00313481/step, 0.869562 hours remaining, 240.425781 MB of memory in use. ENERGY: 4001400 3962.7797 20577.0875 14461.5908 229.0144 -203400.4005 2521.9372 0.0000 0.0000 51842.9535 -109805.0373 297.9422 -161647.9908 -109456.0924 298.4114 -273.8181 -245.0689 760018.0410 -2.9904 -3.0996 PRESSURE: 4001600 -423.518 -96.0735 19.9661 -96.0728 -233.975 170.419 19.9675 170.419 47.5948 GPRESSURE: 4001600 -313.496 -100.088 -12.0437 -101.398 -207.09 73.9372 65.3748 249.453 -14.9966 PRESSAVG: 4001600 -21.8729 -37.5631 -11.6102 -37.5631 21.7804 -1.73888 -11.6103 -1.7389 17.4461 GPRESSAVG: 4001600 -21.8797 -38.408 -11.2211 -37.6194 21.1964 -3.90224 -11.5152 -2.24467 17.246 TIMING: 4001600 CPU: 12708, 0.00313269/step Wall: 12708, 0.00313269/step, 0.8688 hours remaining, 240.425781 MB of memory in use. ENERGY: 4001600 3970.3141 20543.7069 14527.6503 258.2565 -203204.2418 2178.2587 0.0000 0.0000 52125.6879 -109600.3673 299.5670 -161726.0552 -109235.7155 299.1253 -203.2996 -178.5276 759116.7110 5.7845 5.5209 PRESSURE: 4001800 -243.105 117.483 148.238 117.482 -109.094 24.662 148.237 24.6627 -174.084 GPRESSURE: 4001800 -192.092 137.102 94.735 203.587 -128.491 37.7366 42.6543 13.1151 -140.877 PRESSAVG: 4001800 9.62578 -19.4371 -13.009 -19.4372 -13.6288 15.3954 -13.009 15.3954 -4.99548 GPRESSAVG: 4001800 9.68066 -20.794 -15.2203 -18.5573 -13.6797 15.3269 -11.1552 15.8922 -4.67344 TIMING: 4001800 CPU: 12708.6, 0.0031568/step Wall: 12708.6, 0.0031568/step, 0.87531 hours remaining, 240.425781 MB of memory in use. ENERGY: 4001800 3979.1730 20498.4939 14472.2149 249.4366 -203473.1826 2528.3366 0.0000 0.0000 52152.8427 -109592.6849 299.7231 -161745.5276 -109239.4350 299.2385 -175.4277 -153.8201 761233.3171 -2.9995 -2.8908 PRESSURE: 4002000 178.723 -122.311 -244.914 -122.311 189.628 210.406 -244.915 210.406 -134.612 GPRESSURE: 4002000 257.378 -122.991 -202.194 -47.5889 158.971 137.183 -339.234 270.023 -117.172 PRESSAVG: 4002000 -2.71014 -43.7935 -29.9627 -43.7934 -19.3903 34.5798 -29.9627 34.5797 22.3071 GPRESSAVG: 4002000 -2.95762 -41.3225 -28.4179 -44.5288 -18.3137 34.4243 -31.7039 35.1002 21.2826 TIMING: 4002000 CPU: 12709.2, 0.00314366/step Wall: 12709.2, 0.00314366/step, 0.871491 hours remaining, 240.425781 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: 4002000 4000.9152 20437.7727 14530.2196 232.9025 -203275.1505 2427.5059 0.0000 0.0000 51823.2228 -109822.6118 297.8288 -161645.8346 -109465.4386 298.7301 77.9130 99.7257 761411.9469 0.0689 0.0038 PRESSURE: 4002200 -310.878 30.6592 145.878 30.6588 -391.59 -38.5952 145.878 -38.5957 27.6375 GPRESSURE: 4002200 -297.55 44.6771 219.677 41.1656 -316.365 -95.7722 80.3839 130.394 25.3589 PRESSAVG: 4002200 -37.5153 -13.5413 -17.1062 -13.5413 17.2856 46.5925 -17.1061 46.5926 20.1688 GPRESSAVG: 4002200 -38.5145 -14.0625 -16.8367 -12.8313 17.6006 47.105 -15.9722 45.9125 20.8279 TIMING: 4002200 CPU: 12709.8, 0.00312587/step Wall: 12709.8, 0.00312587/step, 0.866386 hours remaining, 240.425781 MB of memory in use. ENERGY: 4002200 3962.2757 20399.8492 14554.3960 259.0077 -203462.7149 2301.7084 0.0000 0.0000 52080.4593 -109905.0185 299.3071 -161985.4778 -109537.3506 298.7033 -224.9436 -196.1853 761758.5734 -0.0203 -0.0287 PRESSURE: 4002400 -133.394 -28.4379 -148.462 -28.4379 -235.862 -18.7669 -148.462 -18.7671 -30.7696 GPRESSURE: 4002400 -140.673 -51.1419 -123.448 -20.136 -173.029 24.1142 -128.333 19.9731 7.86869 PRESSAVG: 4002400 -15.1501 10.41 22.7127 10.41 24.9 29.8417 22.7127 29.8417 2.4491 GPRESSAVG: 4002400 -15.5402 9.28815 22.6454 11.2947 23.7965 31.0053 22.8591 30.7673 3.08 TIMING: 4002400 CPU: 12710.5, 0.00313888/step Wall: 12710.5, 0.00313888/step, 0.869819 hours remaining, 240.425781 MB of memory in use. ENERGY: 4002400 4023.5530 20429.5043 14503.8796 263.3477 -203194.7969 2253.0384 0.0000 0.0000 52031.6345 -109689.8393 299.0265 -161721.4738 -109326.2147 298.8128 -133.3416 -101.9443 760512.1633 4.0663 3.7787 PRESSURE: 4002600 77.08 124.828 132.851 124.827 40.5188 23.5188 132.85 23.5189 -73.2275 GPRESSURE: 4002600 117.304 209.254 81.9375 79.3023 82.5026 10.1444 42.8744 -86.26 -65.3244 PRESSAVG: 4002600 -30.5189 -28.5117 13.6056 -28.5117 8.99455 35.0232 13.6056 35.0232 5.28865 GPRESSAVG: 4002600 -30.2813 -26.7601 14.1699 -29.7834 9.02005 34.5081 13.9651 32.8279 5.02491 TIMING: 4002600 CPU: 12711.1, 0.00312452/step Wall: 12711.1, 0.00312452/step, 0.865666 hours remaining, 240.425781 MB of memory in use. ENERGY: 4002600 3990.8561 20424.5082 14479.2750 263.8886 -203249.7690 2110.1692 0.0000 0.0000 52161.7457 -109819.3262 299.7743 -161981.0719 -109458.4284 298.9632 14.7904 44.8273 759280.4669 -5.4119 -5.4121 PRESSURE: 4002800 -209.929 -148.302 -204.195 -148.302 226.609 18.1333 -204.195 18.133 418.236 GPRESSURE: 4002800 -137.235 -167.219 -68.5748 -102.611 194.647 64.153 -262.811 86.5731 455.109 PRESSAVG: 4002800 -39.1113 -6.07463 28.2786 -6.07459 38.0767 28.2029 28.2786 28.2029 -0.136812 GPRESSAVG: 4002800 -37.9402 -7.77251 28.0624 -7.25249 37.1844 28.2917 28.5782 30.2428 -0.0718005 TIMING: 4002800 CPU: 12711.7, 0.00314533/step Wall: 12711.7, 0.00314533/step, 0.871256 hours remaining, 240.425781 MB of memory in use. ENERGY: 4002800 3980.9831 20644.4228 14506.1309 246.6116 -203956.0782 2742.5476 0.0000 0.0000 52012.1674 -109823.2149 298.9146 -161835.3822 -109462.6326 298.8790 144.9722 170.8403 758322.7534 -0.3905 -0.2759 PRESSURE: 4003000 -105.389 197.066 -35.6666 197.067 93.7442 -61.8935 -35.6662 -61.8943 -12.4985 GPRESSURE: 4003000 27.8839 176.577 9.94946 266.291 18.5163 -4.80053 -1.23092 -61.2405 18.3315 PRESSAVG: 4003000 11.9054 -19.3335 79.7871 -19.3334 -20.6886 52.8805 79.7871 52.8804 27.8693 GPRESSAVG: 4003000 11.2113 -19.1054 78.4071 -18.0524 -19.4149 53.5983 81.4021 52.7804 26.994 TIMING: 4003000 CPU: 12712.4, 0.00313297/step Wall: 12712.4, 0.00313297/step, 0.867659 hours remaining, 240.425781 MB of memory in use. ENERGY: 4003000 3994.8849 20533.4568 14510.5807 239.5482 -203729.0495 2587.3180 0.0000 0.0000 52014.9722 -109848.2888 298.9308 -161863.2610 -109478.7385 299.1131 -8.0479 21.5772 758883.8712 6.3620 6.2635 PRESSURE: 4003200 261.035 194.559 92.1744 194.558 122.182 70.8472 92.1738 70.8492 110.04 GPRESSURE: 4003200 293.944 266.933 -23.0777 129.643 197.209 52.111 -10.7396 -2.43749 96.8716 PRESSAVG: 4003200 37.2949 -41.2997 9.78849 -41.2997 -12.5663 29.9896 9.78843 29.9896 24.2854 GPRESSAVG: 4003200 38.2069 -40.0555 9.28166 -42.064 -13.3679 28.9948 10.4614 28.4797 23.8454 TIMING: 4003200 CPU: 12713, 0.00312335/step Wall: 12713, 0.00312335/step, 0.864821 hours remaining, 240.425781 MB of memory in use. ENERGY: 4003200 3951.8265 20453.8928 14467.0438 249.3089 -203758.5227 2662.5174 0.0000 0.0000 51922.2590 -110051.6743 298.3979 -161973.9333 -109689.1095 298.2084 164.4193 196.0080 759993.6855 16.3380 16.2281 PRESSURE: 4003400 -67.9653 30.2451 -203.417 30.2455 -321.46 151.984 -203.417 151.984 -281.559 GPRESSURE: 4003400 -90.9876 -46.2993 -244.42 58.1171 -272.063 72.2319 -223.955 136.195 -214.57 PRESSAVG: 4003400 85.1453 -55.8577 -60.2175 -55.8578 2.13645 17.1327 -60.2174 17.1328 10.1161 GPRESSAVG: 4003400 83.8405 -57.1544 -60.1073 -54.1122 3.12924 17.1982 -60.3286 17.7845 11.0469 TIMING: 4003400 CPU: 12713.6, 0.00313765/step Wall: 12713.6, 0.00313765/step, 0.868607 hours remaining, 240.425781 MB of memory in use. ENERGY: 4003400 4097.9747 20597.9329 14579.2081 240.4619 -203983.9207 2851.3644 0.0000 0.0000 51534.8238 -110082.1549 296.1713 -161616.9787 -109735.5069 298.4617 -223.6614 -192.5401 759703.7733 32.4659 32.6722 PRESSURE: 4003600 -151.965 149.148 -26.4687 149.147 -7.26383 4.46742 -26.4694 4.46726 91.5399 GPRESSURE: 4003600 -99.9881 111.314 -63.1622 153.315 12.5146 85.061 12.0124 73.6523 108.992 PRESSAVG: 4003600 54.2485 7.01983 -30.2803 7.01988 -75.351 19.8763 -30.2803 19.8763 5.245 GPRESSAVG: 4003600 54.8592 7.53109 -29.8398 7.40658 -76.1947 20.4385 -31.4613 19.8996 5.05272 TIMING: 4003600 CPU: 12714.2, 0.0031578/step Wall: 12714.2, 0.0031578/step, 0.874009 hours remaining, 240.425781 MB of memory in use. ENERGY: 4003600 3946.4410 20677.1747 14500.0827 235.4198 -203721.2068 2513.8078 0.0000 0.0000 51846.0702 -110002.2106 297.9601 -161848.2808 -109652.2644 298.3801 -22.5630 7.1728 758203.1660 -5.2859 -5.4276 PRESSURE: 4003800 31.2957 80.4351 -211.84 80.4344 -94.3686 233.982 -211.839 233.983 132.107 GPRESSURE: 4003800 63.9203 93.8474 -247.67 -16.9081 -106.073 131.976 -270.044 130.955 195.621 PRESSAVG: 4003800 63.2755 -20.9067 -31.3333 -20.9067 -86.2122 17.742 -31.3333 17.742 3.86874 GPRESSAVG: 4003800 63.2197 -21.0909 -30.148 -23.15 -85.9607 16.8323 -31.2012 17.0762 3.63731 TIMING: 4003800 CPU: 12714.9, 0.00314758/step Wall: 12714.9, 0.00314758/step, 0.871006 hours remaining, 240.425781 MB of memory in use. ENERGY: 4003800 3996.2962 20375.7437 14529.9511 241.5055 -203815.6800 2677.2783 0.0000 0.0000 52197.3788 -109797.5263 299.9791 -161994.9051 -109435.3782 298.8603 23.0115 51.1562 760244.4318 -6.3560 -6.3679 PRESSURE: 4004000 -161.732 -8.62368 -41.3955 -8.6233 -133.197 40.0098 -41.3951 40.0091 -261.043 GPRESSURE: 4004000 -96.5705 167.573 -54.9937 -81.5846 -74.8538 -50.429 29.6838 23.6509 -299.51 PRESSAVG: 4004000 37.4171 18.1846 24.844 18.1845 -33.2354 72.7336 24.844 72.7336 -4.06114 GPRESSAVG: 4004000 37.6749 18.8605 23.1291 18.8526 -33.2113 72.3928 25.7226 73.3675 -4.36165 TIMING: 4004000 CPU: 12715.5, 0.00315716/step Wall: 12715.5, 0.00315716/step, 0.873481 hours remaining, 240.425781 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: 4004000 4039.5704 20586.0794 14474.0099 252.9661 -203880.3399 2653.9858 0.0000 0.0000 52171.7836 -109701.9447 299.8320 -161873.7283 -109343.4013 299.1681 -185.3241 -156.9780 760296.4287 0.0402 0.0340 PRESSURE: 4004200 128.94 12.5371 197.444 12.5371 -150.793 258.755 197.445 258.754 382.322 GPRESSURE: 4004200 199.048 69.4661 181.273 62.0692 -141.346 248.75 329.628 242.085 387.408 PRESSAVG: 4004200 40.2558 47.4619 -41.395 47.4619 -29.4734 16.3794 -41.3949 16.3794 -2.54487 GPRESSAVG: 4004200 41.265 48.1183 -39.9778 49.2155 -29.9585 15.6457 -42.5215 16.7439 -2.75539 TIMING: 4004200 CPU: 12716.1, 0.00314608/step Wall: 12716.1, 0.00314608/step, 0.870241 hours remaining, 240.425781 MB of memory in use. ENERGY: 4004200 4022.8923 20484.8475 14524.6322 249.3215 -203702.2979 2721.1826 0.0000 0.0000 52097.6538 -109601.7682 299.4059 -161699.4220 -109250.3618 299.5448 120.1564 148.3701 761641.6797 2.7458 2.8504 LDB: ============= START OF LOAD BALANCING ============== 12728.6 LDB: ============== END OF LOAD BALANCING =============== 12728.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12728.6 LDB: ============= START OF LOAD BALANCING ============== 12728.9 LDB: Largest compute 7056 load 0.038212 is 19.5% of average load 0.195492 LDB: Average compute 0.004382 is 2.2% of average load 0.195492 LDB: TIME 12728.9 LOAD: AVG 0.195492 MAX 0.214528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 12728.9 LOAD: AVG 0.195492 MAX 0.214528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 12728.9 LOAD: AVG 0.195492 MAX 0.214528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 12728.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12728.9 PRESSURE: 4004400 26.5103 12.4895 -100.208 12.4899 -256.593 309.296 -100.209 309.297 52.4955 GPRESSURE: 4004400 133.484 -9.21691 -11.3952 -12.523 -210.228 360.94 -54.8211 295.943 -13.5703 PRESSAVG: 4004400 8.90116 24.7287 17.6709 24.7286 -12.0383 31.2094 17.6709 31.2094 6.29999 GPRESSAVG: 4004400 8.26506 24.4213 17.4671 21.6935 -12.0432 32.7791 17.6297 30.7759 7.21086 TIMING: 4004400 CPU: 12716.8, 0.00321823/step Wall: 12716.8, 0.00321823/step, 0.89002 hours remaining, 239.527344 MB of memory in use. ENERGY: 4004400 4066.5455 20455.3437 14518.1518 248.0788 -203616.8649 2889.5509 0.0000 0.0000 51979.2634 -109459.9308 298.7255 -161439.1942 -109103.4869 299.3390 -59.1957 -30.1046 761017.9042 1.0543 1.1442 PRESSURE: 4004600 -73.8224 -5.77561 302.293 -5.77559 -62.0873 196.715 302.293 196.715 -11.5469 GPRESSURE: 4004600 -16.9947 30.6882 310.045 -32.8193 -72.067 131.779 220.979 209.854 16.8003 PRESSAVG: 4004600 -2.10287 77.5946 49.9408 77.5947 -24.2923 25.6462 49.9408 25.6463 -11.3738 GPRESSAVG: 4004600 -1.23814 76.6317 49.7148 78.9837 -24.771 26.9091 48.3881 24.2588 -11.5671 TIMING: 4004600 CPU: 12717.4, 0.00315227/step Wall: 12717.4, 0.00315227/step, 0.871601 hours remaining, 239.527344 MB of memory in use. ENERGY: 4004600 3956.0663 20639.6951 14531.8483 255.1977 -203455.0562 2555.0675 0.0000 0.0000 52176.7909 -109340.3905 299.8607 -161517.1814 -108978.7845 299.4302 -49.1522 -24.0871 761638.8016 -12.5897 -12.5254 PRESSURE: 4004800 335.357 -6.21205 116.332 -6.21053 39.6676 124.547 116.332 124.548 155.449 GPRESSURE: 4004800 336.516 -43.0807 26.4593 -46.0024 75.4156 22.3207 118.335 207.105 190.201 PRESSAVG: 4004800 6.30074 -41.1718 -10.74 -41.1718 23.2484 14.6698 -10.74 14.6698 -3.88958 GPRESSAVG: 4004800 4.3384 -39.9421 -8.91713 -42.7513 24.4135 12.7053 -11.027 18.5802 -3.07982 TIMING: 4004800 CPU: 12718, 0.00313799/step Wall: 12718, 0.00313799/step, 0.867479 hours remaining, 239.527344 MB of memory in use. ENERGY: 4004800 3999.3128 20651.2088 14540.8120 255.1302 -203653.4281 2793.7122 0.0000 0.0000 52192.5810 -109220.6710 299.9515 -161413.2520 -108862.3294 299.7945 176.8246 200.7107 760839.3929 8.5532 8.5574 PRESSURE: 4005000 -107.501 123.961 20.2532 123.962 -241.578 48.2491 20.2535 48.2488 -180.643 GPRESSURE: 4005000 -9.85243 88.6037 -85.1853 114.461 -293.052 79.7698 89.7642 -51.4222 -142.906 PRESSAVG: 4005000 40.7477 -36.146 -15.7257 -36.1461 -25.1823 92.9464 -15.7257 92.9464 2.15222 GPRESSAVG: 4005000 42.4895 -35.9783 -18.2994 -33.3375 -26.6567 92.483 -13.374 89.7703 2.36529 TIMING: 4005000 CPU: 12718.7, 0.00313886/step Wall: 12718.7, 0.00313886/step, 0.867545 hours remaining, 239.527344 MB of memory in use. ENERGY: 4005000 4023.0042 20674.1592 14457.1613 244.7356 -203546.1365 2690.9659 0.0000 0.0000 51932.6542 -109523.4561 298.4577 -161456.1103 -109150.5631 299.8685 -176.5742 -148.6035 762367.1298 5.9059 6.0660 PRESSURE: 4005200 273.004 -339.022 26.9016 -339.023 454.197 83.217 26.9022 83.2161 -73.7457 GPRESSURE: 4005200 338.531 -171.44 -21.6627 -284.448 427.405 57.0507 57.5032 115.271 -16.4289 PRESSAVG: 4005200 59.2018 -50.5638 28.8691 -50.5637 -65.9744 26.9643 28.8691 26.9642 -8.04139 GPRESSAVG: 4005200 57.8069 -51.4544 28.9025 -53.8213 -64.2863 28.0386 29.532 28.141 -8.43173 TIMING: 4005200 CPU: 12719.3, 0.00314861/step Wall: 12719.3, 0.00314861/step, 0.870067 hours remaining, 239.527344 MB of memory in use. ENERGY: 4005200 3905.3985 20725.6653 14455.5829 258.3783 -203854.6055 3070.3424 0.0000 0.0000 51900.9841 -109538.2540 298.2757 -161439.2381 -109178.6155 298.7012 217.8185 249.8358 761314.7888 -4.9380 -4.9704 PRESSURE: 4005400 116.575 -97.5233 98.7644 -97.523 -337.315 143.208 98.7646 143.208 -80.9014 GPRESSURE: 4005400 116.86 27.9598 157.591 -59.7972 -244.153 180.038 -36.1277 9.6368 -68.1191 PRESSAVG: 4005400 72.6062 -48.4365 31.45 -48.4365 -22.946 -39.3492 31.45 -39.3491 -9.15398 GPRESSAVG: 4005400 72.261 -50.024 32.3706 -44.3304 -22.2672 -40.5168 29.9517 -38.4409 -9.69302 TIMING: 4005400 CPU: 12719.9, 0.00314952/step Wall: 12719.9, 0.00314952/step, 0.870141 hours remaining, 239.527344 MB of memory in use. ENERGY: 4005400 3970.4919 20509.1097 14443.2154 242.3017 -203456.1190 2681.1240 0.0000 0.0000 52047.3159 -109562.5603 299.1166 -161609.8763 -109199.2724 299.0657 -100.5471 -65.1375 760885.6778 13.5021 13.4336 PRESSURE: 4005600 -168.227 79.7356 -0.161685 79.7355 -23.4814 78.2766 -0.161401 78.2762 81.2145 GPRESSURE: 4005600 -107.272 -66.8171 -36.8569 45.3033 15.412 85.3014 -55.9147 61.1882 63.9055 PRESSAVG: 4005600 86.0661 -61.3963 53.8272 -61.3964 -27.8159 19.7574 53.8271 19.7574 -4.66883 GPRESSAVG: 4005600 87.2996 -60.2177 53.2058 -62.4055 -29.1735 20.8087 53.0674 18.6373 -5.17936 TIMING: 4005600 CPU: 12720.5, 0.00312189/step Wall: 12720.5, 0.00312189/step, 0.862335 hours remaining, 239.527344 MB of memory in use. ENERGY: 4005600 3957.8289 20599.0930 14558.3239 249.6368 -203299.5033 2583.8218 0.0000 0.0000 51726.6381 -109624.1608 297.2737 -161350.7988 -109279.0283 298.8344 -36.8313 -9.3180 760954.5282 17.8604 17.6489 PRESSURE: 4005800 -472.869 114.962 -165.283 114.962 -66.9492 35.7718 -165.282 35.7722 -217.183 GPRESSURE: 4005800 -333.566 90.6286 -152.57 156.374 -70.5681 2.80567 -75.7103 135.955 -265.279 PRESSAVG: 4005800 26.3844 -18.8627 -17.4425 -18.8627 -31.3187 -2.09027 -17.4425 -2.09021 17.6865 GPRESSAVG: 4005800 25.4422 -20.4473 -17.4181 -20.5889 -30.8345 -0.829203 -16.64 -2.4768 17.9862 TIMING: 4005800 CPU: 12721.2, 0.00313473/step Wall: 12721.2, 0.00313473/step, 0.865709 hours remaining, 239.527344 MB of memory in use. ENERGY: 4005800 4003.8180 20375.3062 14513.8047 252.8911 -203268.2138 2368.0292 0.0000 0.0000 52074.3767 -109679.9878 299.2722 -161754.3645 -109314.4396 299.2379 -252.3337 -223.1377 760837.3176 4.2508 4.1980 PRESSURE: 4006000 -318.43 112.782 -205.057 112.781 -363.939 -25.7481 -205.056 -25.7472 207.387 GPRESSURE: 4006000 -316.527 58.8651 -210.579 147.576 -295.96 -103.27 -110.361 -29.6665 221.428 PRESSAVG: 4006000 73.8922 -15.3337 -4.43072 -15.3336 -32.1368 3.20208 -4.43071 3.20218 17.121 GPRESSAVG: 4006000 74.8344 -14.5465 -5.42658 -16.0393 -31.4122 1.62849 -4.68232 4.18459 16.3665 TIMING: 4006000 CPU: 12721.8, 0.00315386/step Wall: 12721.8, 0.00315386/step, 0.870815 hours remaining, 239.527344 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: 4006000 3994.6489 20495.0797 14469.6216 237.3713 -203153.5132 2366.0276 0.0000 0.0000 51999.3610 -109591.4030 298.8410 -161590.7641 -109226.3962 299.0971 -158.3273 -130.3528 761888.9225 19.6255 19.9296 PRESSURE: 4006200 255.823 61.5449 180.945 61.5447 38.181 177.92 180.946 177.919 458.875 GPRESSURE: 4006200 301.341 21.9179 211.068 128.912 44.2392 261.397 86.6358 95.5424 471.852 PRESSAVG: 4006200 38.6141 -8.22799 -41.1255 -8.22788 -60.159 -13.7959 -41.1256 -13.7959 -14.7894 GPRESSAVG: 4006200 38.2886 -8.9403 -40.7516 -7.30137 -61.1108 -12.2764 -40.5786 -14.5695 -13.9265 TIMING: 4006200 CPU: 12722.4, 0.00316107/step Wall: 12722.4, 0.00316107/step, 0.87263 hours remaining, 239.527344 MB of memory in use. ENERGY: 4006200 3986.7784 20260.9889 14518.4622 260.7851 -203344.9412 2665.5956 0.0000 0.0000 51999.0417 -109653.2893 298.8392 -161652.3310 -109287.0704 298.9747 250.9595 272.4773 760237.9932 -12.1115 -12.2496 PRESSURE: 4006400 -73.0906 -107.155 28.1997 -107.156 -280.891 -315.012 28.2004 -315.012 -421.297 GPRESSURE: 4006400 -42.4755 -147.471 -23.2769 -18.2852 -200.791 -284.621 33.4018 -246.548 -449.013 PRESSAVG: 4006400 80.6285 -36.391 -1.18645 -36.3911 -54.0457 -13.0247 -1.18646 -13.0247 12.2148 GPRESSAVG: 4006400 81.0047 -35.8405 0.638123 -36.6449 -54.7309 -13.6482 0.357988 -14.4367 12.4852 TIMING: 4006400 CPU: 12723.1, 0.00315059/step Wall: 12723.1, 0.00315059/step, 0.869563 hours remaining, 239.527344 MB of memory in use. ENERGY: 4006400 4044.8824 20535.7959 14486.8677 273.2779 -203208.3887 2292.8106 0.0000 0.0000 51951.1488 -109623.6053 298.5640 -161574.7541 -109252.1418 298.6780 -258.4262 -230.7599 759684.4200 12.9325 12.9197 PRESSURE: 4006600 -283.545 -6.15526 -54.2515 -6.15605 -224.996 -9.77025 -54.2517 -9.77069 -61.078 GPRESSURE: 4006600 -271.053 -149.381 -60.5598 -29.7691 -169.275 23.4156 -63.0841 -61.9293 -37.7441 PRESSAVG: 4006600 2.82162 -47.4305 -53.6052 -47.4305 -25.7601 -3.12966 -53.6052 -3.12969 -13.6567 GPRESSAVG: 4006600 2.50505 -45.8657 -54.2472 -47.9573 -25.0683 -1.89033 -56.4405 -4.04489 -14.4745 TIMING: 4006600 CPU: 12723.7, 0.00313121/step Wall: 12723.7, 0.00313121/step, 0.864041 hours remaining, 239.527344 MB of memory in use. ENERGY: 4006600 3987.4953 20399.9491 14409.3969 223.3492 -203156.6720 2351.4682 0.0000 0.0000 52023.7495 -109761.2638 298.9812 -161785.0133 -109402.1191 298.8469 -189.8729 -159.3575 761303.9289 -12.1984 -12.3459 PRESSURE: 4006800 -70.5382 -209.931 -74.0873 -209.93 201.161 323.176 -74.0861 323.177 127.445 GPRESSURE: 4006800 -42.7973 -187.363 -174.491 -226.113 231.177 242.31 -37.5735 224.735 168.86 PRESSAVG: 4006800 67.6212 -13.602 -71.2631 -13.602 -35.2558 2.86844 -71.2631 2.86851 13.9709 GPRESSAVG: 4006800 67.7194 -15.9183 -71.294 -13.0553 -35.407 1.18369 -72.3497 4.82377 14.3716 TIMING: 4006800 CPU: 12724.3, 0.00313214/step Wall: 12724.3, 0.00313214/step, 0.864123 hours remaining, 239.527344 MB of memory in use. ENERGY: 4006800 3931.9316 20490.3220 14420.3924 232.5754 -203261.9792 2399.9507 0.0000 0.0000 51908.0356 -109878.7716 298.3162 -161786.8072 -109521.3699 298.8139 86.0224 119.0798 760506.5969 15.4454 15.5613 PRESSURE: 4007000 205.218 -44.429 -14.1116 -44.4287 -178.071 -274.925 -14.1117 -274.926 100.609 GPRESSURE: 4007000 224.205 98.4839 2.09938 -77.3531 -59.7397 -346.232 57.9405 -158.293 50.2967 PRESSAVG: 4007000 32.2941 9.21526 -41.0881 9.21523 -25.639 17.4943 -41.088 17.4942 -1.43889 GPRESSAVG: 4007000 32.9147 10.2488 -39.228 10.9429 -26.0438 17.8759 -38.9115 18.2344 -1.59027 TIMING: 4007000 CPU: 12724.9, 0.00313629/step Wall: 12724.9, 0.00313629/step, 0.865093 hours remaining, 239.527344 MB of memory in use. ENERGY: 4007000 3960.8969 20380.4895 14445.8347 241.1221 -203734.7842 2700.5941 0.0000 0.0000 52039.0041 -109966.8428 299.0689 -162005.8468 -109607.8541 298.4579 42.5856 71.5874 759823.0078 1.7387 1.7602 PRESSURE: 4007200 -243.802 -11.0791 57.126 -11.079 -12.738 -153.954 57.1262 -153.955 -341.61 GPRESSURE: 4007200 -189.628 -38.5745 -3.75888 -45.4391 -29.9143 -164.747 222.689 -79.1626 -294.629 PRESSAVG: 4007200 -36.2919 -33.1172 -31.1556 -33.1172 -18.0461 3.72332 -31.1556 3.72327 -26.2353 GPRESSAVG: 4007200 -36.9682 -34.3676 -32.2455 -32.501 -17.7327 4.30626 -28.5948 4.3701 -26.0897 TIMING: 4007200 CPU: 12725.6, 0.00312095/step Wall: 12725.6, 0.00312095/step, 0.860689 hours remaining, 239.527344 MB of memory in use. ENERGY: 4007200 3975.6758 20525.4599 14464.4190 240.0824 -203353.6735 2553.3518 0.0000 0.0000 51725.0092 -109869.6756 297.2643 -161594.6847 -109506.0744 298.8865 -199.3832 -171.3904 760486.3339 -26.8578 -26.9302 PRESSURE: 4007400 0.580021 -177.72 -112.865 -177.72 162.605 158.036 -112.865 158.037 17.2264 GPRESSURE: 4007400 3.31273 -103.658 -41.88 -238.12 116.601 199.525 -243.814 30.24 169.849 PRESSAVG: 4007400 -9.37698 -64.2941 64.7987 -64.2942 -19.8301 -2.06309 64.7987 -2.0631 8.78297 GPRESSAVG: 4007400 -8.69654 -63.4007 64.9484 -66.0482 -21.0732 -0.440624 62.2673 -6.46643 9.59241 TIMING: 4007400 CPU: 12726.2, 0.00311945/step Wall: 12726.2, 0.00311945/step, 0.860103 hours remaining, 239.527344 MB of memory in use. ENERGY: 4007400 3903.7852 20433.7203 14501.7683 248.4572 -203455.2732 2603.2217 0.0000 0.0000 51947.0194 -109817.3011 298.5402 -161764.3205 -109448.4312 298.5812 60.1372 96.5876 760935.6433 -6.8080 -6.7258 PRESSURE: 4007600 280.465 -98.1474 42.3972 -98.1475 11.0913 162.925 42.3965 162.925 326.058 GPRESSURE: 4007600 367.366 -87.3568 -5.86435 -203.063 -14.1376 176.786 -2.36067 36.0743 348.016 PRESSAVG: 4007600 55.2162 -37.5014 -49.9707 -37.5014 -65.7105 -25.0859 -49.9708 -25.0859 -24.0811 GPRESSAVG: 4007600 56.0091 -37.4775 -48.8398 -39.7844 -64.3477 -26.407 -52.4686 -22.7678 -25.4066 TIMING: 4007600 CPU: 12726.8, 0.00314114/step Wall: 12726.8, 0.00314114/step, 0.865906 hours remaining, 239.527344 MB of memory in use. ENERGY: 4007600 3952.9061 20617.0306 14501.5156 257.1392 -203727.9266 2716.0815 0.0000 0.0000 51972.0430 -109711.2107 298.6840 -161683.2537 -109351.6452 298.6284 205.8715 233.7480 759616.2790 -11.5251 -11.2484 PRESSURE: 4007800 -393.823 -237.945 119.883 -237.944 -61.9163 -64.7671 119.883 -64.7664 429.617 GPRESSURE: 4007800 -368.356 -205.09 82.5034 -368.517 -76.9084 32.0853 183.356 -42.6902 501.451 PRESSAVG: 4007800 -59.2107 -101.434 47.6124 -101.434 87.1618 -14.6856 47.6124 -14.6856 16.5384 GPRESSAVG: 4007800 -59.2814 -102.161 44.2722 -99.8608 87.459 -14.2243 50.6703 -15.0865 16.3962 TIMING: 4007800 CPU: 12727.5, 0.00316068/step Wall: 12727.5, 0.00316068/step, 0.871118 hours remaining, 239.527344 MB of memory in use. ENERGY: 4007800 3955.3513 20426.3874 14423.4034 226.2567 -203473.4629 2475.8663 0.0000 0.0000 52321.5588 -109644.6390 300.6927 -161966.1978 -109284.1172 298.9655 -8.7076 18.7290 760476.1793 14.8298 14.8580 PRESSURE: 4008000 -217.034 -55.812 209.024 -55.8121 -455.709 77.2796 209.024 77.2806 -180.361 GPRESSURE: 4008000 -279.768 -91.0487 179.515 -86.9795 -343.253 52.402 215.811 89.6934 -180.363 PRESSAVG: 4008000 72.4314 -89.608 50.8167 -89.608 -35.8537 -4.37626 50.8167 -4.37624 -19.9712 GPRESSAVG: 4008000 69.2664 -88.2198 53.6215 -90.312 -34.9113 -3.69106 49.2363 -3.28677 -18.373 TIMING: 4008000 CPU: 12728.1, 0.00317626/step Wall: 12728.1, 0.00317626/step, 0.875237 hours remaining, 239.527344 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: 4008000 4040.9394 20481.1253 14474.0786 225.1223 -203234.2416 2200.1471 0.0000 0.0000 52143.2265 -109669.6023 299.6678 -161812.8289 -109303.5249 299.1744 -284.3680 -267.7949 761660.8092 5.5355 5.3274 PRESSURE: 4008200 270.683 -403.463 -19.4757 -403.463 353.047 2.25167 -19.4752 2.25194 -11.3452 GPRESSURE: 4008200 330.322 -442.491 -45.4963 -290.184 271.344 81.9111 9.08759 71.1575 123.393 PRESSAVG: 4008200 51.8669 -40.2607 39.2543 -40.2606 9.11852 -14.3293 39.2544 -14.3292 -2.44628 GPRESSAVG: 4008200 54.8872 -41.5607 39.1251 -41.8364 7.00704 -15.4694 37.8975 -15.2865 -3.33631 TIMING: 4008200 CPU: 12728.7, 0.0031464/step Wall: 12728.7, 0.0031464/step, 0.866834 hours remaining, 239.527344 MB of memory in use. ENERGY: 4008200 4101.8092 20463.9260 14512.8885 230.4226 -203500.2243 2601.9818 0.0000 0.0000 51805.2785 -109783.9177 297.7256 -161589.1961 -109433.2286 298.6081 204.1285 241.6864 759880.2412 19.5130 19.5193 LDB: ============= START OF LOAD BALANCING ============== 12741.2 LDB: ============== END OF LOAD BALANCING =============== 12741.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12741.2 LDB: ============= START OF LOAD BALANCING ============== 12741.5 LDB: Largest compute 7056 load 0.035960 is 18.4% of average load 0.195344 LDB: Average compute 0.004414 is 2.3% of average load 0.195344 LDB: TIME 12741.5 LOAD: AVG 0.195344 MAX 0.216925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 12741.5 LOAD: AVG 0.195344 MAX 0.216925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 12741.5 LOAD: AVG 0.195344 MAX 0.216925 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 12741.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12741.5 PRESSURE: 4008400 -116.27 225.089 -164.533 225.089 325.207 20.709 -164.533 20.7094 -202.233 GPRESSURE: 4008400 -124.163 286.39 -203.285 164.914 321.042 54.7382 71.7768 150.658 -132.73 PRESSAVG: 4008400 7.73545 -16.5736 -16.9821 -16.5737 -6.7839 10.4122 -16.9821 10.4122 -19.7849 GPRESSAVG: 4008400 7.30074 -16.0173 -16.9322 -16.6793 -6.24067 10.085 -14.2887 12.7663 -19.9795 TIMING: 4008400 CPU: 12729.4, 0.00325492/step Wall: 12729.4, 0.00325492/step, 0.89655 hours remaining, 240.097656 MB of memory in use. ENERGY: 4008400 3953.1524 20544.9763 14500.8039 234.4189 -203652.4085 2672.9767 0.0000 0.0000 51993.5248 -109752.5555 298.8075 -161746.0803 -109398.6305 298.5187 2.2346 21.3832 759965.5228 -6.2778 -6.3065 PRESSURE: 4008600 -96.8578 78.3533 -189.938 78.3534 -109.401 -25.6508 -189.938 -25.6511 207.363 GPRESSURE: 4008600 -75.959 121.733 -295.436 -27.0851 -61.1831 -69.3986 -231.325 44.5196 215.868 PRESSAVG: 4008600 -23.9025 -45.3414 20.0413 -45.3414 33.4532 -9.38931 20.0414 -9.38932 5.95926 GPRESSAVG: 4008600 -23.1249 -45.9636 19.6259 -42.8643 33.5535 -8.57562 18.7926 -11.8215 5.22841 TIMING: 4008600 CPU: 12730, 0.00314035/step Wall: 12730, 0.00314035/step, 0.864816 hours remaining, 240.097656 MB of memory in use. ENERGY: 4008600 4043.8720 20462.6295 14446.1713 252.7705 -203498.1348 2400.9571 0.0000 0.0000 52187.5108 -109704.2236 299.9223 -161891.7344 -109344.4434 298.8078 0.3679 26.2421 758844.0229 5.1700 5.2190 PRESSURE: 4008800 41.6259 -2.13934 -52.8542 -2.13937 140.996 227.535 -52.8547 227.535 -77.6267 GPRESSURE: 4008800 107.037 123.443 44.6862 149.452 99.8638 145.103 116.097 292.101 -36.5009 PRESSAVG: 4008800 36.3961 -53.4711 -22.7512 -53.4711 11.7467 -9.50186 -22.7512 -9.50185 -6.86178 GPRESSAVG: 4008800 36.2067 -53.7411 -24.4267 -54.0214 11.4009 -11.5968 -20.5406 -7.94333 -6.30028 TIMING: 4008800 CPU: 12730.6, 0.0031308/step Wall: 12730.6, 0.0031308/step, 0.862012 hours remaining, 240.097656 MB of memory in use. ENERGY: 4008800 4007.1012 20586.4952 14461.4340 236.9105 -203690.2819 2596.2156 0.0000 0.0000 51933.9085 -109868.2169 298.4649 -161802.1254 -109508.4797 299.1135 34.9985 56.8001 760217.0174 13.7603 13.7691 PRESSURE: 4009000 -3.44458 25.0227 -51.9742 25.0223 -101.911 13.3754 -51.9733 13.3743 -411.71 GPRESSURE: 4009000 -29.0186 30.704 79.6971 47.1126 -96.7976 25.2742 -52.316 6.05347 -325.768 PRESSAVG: 4009000 36.6317 -14.4095 7.41738 -14.4095 -48.8478 1.18879 7.41738 1.18887 25.4582 GPRESSAVG: 4009000 36.143 -13.0017 8.73277 -13.3406 -47.126 1.43894 7.81142 1.29366 23.8276 TIMING: 4009000 CPU: 12731.2, 0.00314253/step Wall: 12731.2, 0.00314253/step, 0.86507 hours remaining, 240.097656 MB of memory in use. ENERGY: 4009000 3980.6029 20485.3670 14517.2522 247.1605 -203302.2817 2235.7392 0.0000 0.0000 52018.9108 -109817.2492 298.9534 -161836.1599 -109447.6210 298.9577 -172.3553 -150.5280 759889.0356 4.4140 4.2815 PRESSURE: 4009200 12.8225 67.2811 112.588 67.2809 16.741 131.61 112.588 131.611 222.971 GPRESSURE: 4009200 -29.6156 51.7943 75.104 128.642 91.631 148.306 41.1891 78.2209 284.792 PRESSAVG: 4009200 36.9134 -31.9822 -3.5573 -31.9821 -42.9296 -34.4583 -3.55725 -34.4584 11.6651 GPRESSAVG: 4009200 37.4083 -36.4736 -3.16285 -31.8531 -43.942 -35.1077 -6.5997 -34.924 12.7667 TIMING: 4009200 CPU: 12731.9, 0.00313455/step Wall: 12731.9, 0.00313455/step, 0.862698 hours remaining, 240.097656 MB of memory in use. ENERGY: 4009200 4023.8803 20709.8240 14468.0290 241.9705 -203950.3432 2729.7357 0.0000 0.0000 51910.9768 -109865.9269 298.3331 -161776.9038 -109505.5566 299.0245 84.1780 115.6024 759686.8189 1.8829 2.0777 PRESSURE: 4009400 -206.393 -241.544 -40.9171 -241.545 90.4032 -101.739 -40.9167 -101.738 -108.285 GPRESSURE: 4009400 -162.997 -95.2744 -16.6913 -147.163 138.084 -147.045 -284.471 -83.1943 -131.212 PRESSAVG: 4009400 -3.62228 17.0125 -39.1253 17.0125 1.44226 8.25328 -39.1252 8.25333 -15.6109 GPRESSAVG: 4009400 -4.89893 20.2674 -39.6949 16.2759 2.47502 8.80034 -36.8912 7.76907 -15.1609 TIMING: 4009400 CPU: 12732.5, 0.00312633/step Wall: 12732.5, 0.00312633/step, 0.860263 hours remaining, 240.097656 MB of memory in use. ENERGY: 4009400 3992.2345 20363.3889 14496.0769 248.3570 -203881.7422 2677.7203 0.0000 0.0000 52130.8014 -109973.1633 299.5964 -162103.9647 -109604.4944 298.6111 -74.7584 -52.0417 759889.2215 -5.9303 -5.8616 PRESSURE: 4009600 72.9453 108.986 81.4387 108.987 -99.3183 98.0728 81.4378 98.0743 -54.0296 GPRESSURE: 4009600 149.971 35.2975 116.216 107.495 -146.708 80.9531 -93.3811 118.076 -17.4653 PRESSAVG: 4009600 -0.416304 -46.9896 -16.0644 -46.9896 -31.8463 34.2747 -16.0644 34.2747 -2.25442 GPRESSAVG: 4009600 0.403544 -48.0286 -14.4654 -46.3818 -32.4234 34.6627 -17.5303 35.8231 -2.2024 TIMING: 4009600 CPU: 12733.1, 0.00315878/step Wall: 12733.1, 0.00315878/step, 0.869014 hours remaining, 240.097656 MB of memory in use. ENERGY: 4009600 4090.0188 20329.2219 14382.6056 258.3433 -204152.9725 2862.2867 0.0000 0.0000 51995.8383 -110234.6579 298.8208 -162230.4962 -109879.4619 298.3336 -26.8009 -4.7339 761253.6396 -11.5057 -11.4074 PRESSURE: 4009800 -394.876 53.531 80.8015 53.5313 -2.76075 -9.62341 80.8025 -9.6234 -10.9406 GPRESSURE: 4009800 -296.791 76.0467 27.4053 2.11254 -4.96719 6.68013 116.417 -0.0265096 -7.8478 PRESSAVG: 4009800 -17.3532 -16.2451 28.1845 -16.2451 6.69088 27.1774 28.1845 27.1773 7.67047 GPRESSAVG: 4009800 -16.1327 -17.1979 27.5788 -18.72 6.11164 27.3336 30.0256 24.9884 6.66545 TIMING: 4009800 CPU: 12733.8, 0.00316302/step Wall: 12733.8, 0.00316302/step, 0.870007 hours remaining, 240.097656 MB of memory in use. ENERGY: 4009800 4009.0544 20330.3666 14397.8507 234.1232 -203576.9501 2436.8823 0.0000 0.0000 52030.7629 -110137.9100 299.0215 -162168.6729 -109781.0841 297.9763 -136.1926 -103.2021 759756.7389 -0.9973 -1.1185 PRESSURE: 4010000 -230.221 90.0838 103.16 90.0837 -273.091 -201.584 103.16 -201.584 -28.9863 GPRESSURE: 4010000 -191.474 36.0701 146.554 47.1091 -195.132 -170.484 58.5984 -140.042 -53.8934 PRESSAVG: 4010000 -14.8268 5.64487 39.9355 5.64485 43.9915 -24.5542 39.9355 -24.5541 -10.523 GPRESSAVG: 4010000 -16.7399 5.6066 39.7377 7.53075 45.7659 -25.5336 38.6199 -23.2163 -10.1465 TIMING: 4010000 CPU: 12734.4, 0.00312028/step Wall: 12734.4, 0.00312028/step, 0.858078 hours remaining, 240.097656 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: 4010000 3997.1311 20328.5549 14502.7901 232.9904 -203373.4162 2573.5969 0.0000 0.0000 51681.1069 -110057.2460 297.0120 -161738.3528 -109698.0079 297.8691 -177.4327 -146.8333 763021.2468 6.2139 6.2931 PRESSURE: 4010200 -227.649 43.1424 -237.891 43.1428 -284.296 163.298 -237.891 163.297 46.9513 GPRESSURE: 4010200 -223.306 -152.159 -210.084 34.4826 -259.657 132.24 -270.937 65.5155 106.847 PRESSAVG: 4010200 -25.7601 -1.13232 -14.8753 -1.13227 -5.83363 -19.757 -14.8753 -19.7571 5.47841 GPRESSAVG: 4010200 -25.863 -0.784873 -14.0744 -1.63819 -6.8968 -18.0346 -15.2932 -21.0448 6.78074 TIMING: 4010200 CPU: 12735, 0.00316268/step Wall: 12735, 0.00316268/step, 0.869562 hours remaining, 240.097656 MB of memory in use. ENERGY: 4010200 4019.8061 20373.1633 14403.3550 248.6242 -203074.6572 2302.2713 0.0000 0.0000 51671.7396 -110055.6976 296.9582 -161727.4372 -109693.1509 297.7278 -154.9979 -125.3719 760543.0506 -8.7051 -8.6597 PRESSURE: 4010400 -88.8833 -246.072 85.6598 -246.071 -350.951 -83.6995 85.66 -83.6984 -432.08 GPRESSURE: 4010400 -31.8523 -176.297 86.5291 -276.809 -321.468 -35.1111 5.80112 6.80186 -456.59 PRESSAVG: 4010400 61.6192 -67.5978 33.5661 -67.5978 -41.8446 21.3023 33.5661 21.3023 -8.5306 GPRESSAVG: 4010400 61.8704 -67.3568 31.88 -67.7998 -41.7202 21.987 34.2178 23.0032 -9.14995 TIMING: 4010400 CPU: 12735.7, 0.00314804/step Wall: 12735.7, 0.00314804/step, 0.865362 hours remaining, 240.097656 MB of memory in use. ENERGY: 4010400 4016.8965 20256.3938 14371.7328 247.5016 -203235.2445 2422.9377 0.0000 0.0000 51895.2035 -110024.5785 298.2424 -161919.7821 -109661.4391 298.2048 -290.6380 -269.9698 759865.8272 3.7480 3.6668 PRESSURE: 4010600 -323.703 41.6409 -168.27 41.6413 -150.774 144.983 -168.27 144.983 92.4377 GPRESSURE: 4010600 -221.667 -51.8159 -192.608 34.2854 -141.249 242.366 13.062 48.9459 68.0616 PRESSAVG: 4010600 49.452 -66.4281 -13.6784 -66.4281 -6.97906 72.3874 -13.6784 72.3873 12.1161 GPRESSAVG: 4010600 50.6956 -67.5921 -13.3467 -64.303 -7.56846 70.4418 -12.5266 73.6922 12.0708 TIMING: 4010600 CPU: 12736.3, 0.00314082/step Wall: 12736.3, 0.00314082/step, 0.863201 hours remaining, 240.097656 MB of memory in use. ENERGY: 4010600 3971.6846 20534.1918 14487.1932 258.4051 -203428.3140 2499.6790 0.0000 0.0000 51835.1765 -109841.9837 297.8975 -161677.1602 -109480.5238 298.3163 -127.3463 -98.2845 760433.7008 18.1963 18.3993 PRESSURE: 4010800 -173.729 -86.9407 -74.3995 -86.9411 81.9271 16.2421 -74.3988 16.242 29.1252 GPRESSURE: 4010800 -67.5172 90.3392 -7.96655 -78.4233 47.9285 23.534 -3.06078 79.7706 25.1234 PRESSAVG: 4010800 -4.49224 -36.222 23.6875 -36.2219 28.4445 26.3704 23.6874 26.3704 0.757513 GPRESSAVG: 4010800 -4.78313 -33.0832 26.0493 -39.1187 27.9073 26.9566 20.9474 24.8756 0.56727 TIMING: 4010800 CPU: 12736.9, 0.00315314/step Wall: 12736.9, 0.00315314/step, 0.866412 hours remaining, 240.097656 MB of memory in use. ENERGY: 4010800 3922.6194 20507.6264 14494.6329 259.5178 -203597.0057 2707.7439 0.0000 0.0000 51657.8970 -110046.9683 296.8786 -161704.8652 -109693.6423 298.3778 -20.8923 1.8449 761977.0055 8.2366 7.8972 PRESSURE: 4011000 100.494 -29.7796 -252.77 -29.779 153.355 115.397 -252.77 115.397 50.6577 GPRESSURE: 4011000 97.3932 -87.2179 -159.461 -52.0087 275.08 117.147 -168.612 223.357 3.43273 PRESSAVG: 4011000 27.6647 -36.6778 8.5316 -36.6779 18.2516 78.0781 8.53159 78.0781 -32.0007 GPRESSAVG: 4011000 25.3116 -37.4161 6.63594 -35.8417 19.1917 77.6564 10.2413 78.92 -30.4732 TIMING: 4011000 CPU: 12737.5, 0.00315499/step Wall: 12737.5, 0.00315499/step, 0.866745 hours remaining, 240.097656 MB of memory in use. ENERGY: 4011000 3978.4650 20646.3517 14484.1740 230.9631 -203869.2879 2958.6647 0.0000 0.0000 51796.3057 -109774.3637 297.6741 -161570.6694 -109413.5724 298.5176 101.5020 125.3020 759723.6750 4.6385 4.6767 PRESSURE: 4011200 -171.161 -48.1563 -74.4735 -48.1566 110.732 -119.457 -74.4729 -119.458 263.299 GPRESSURE: 4011200 -102.93 -121.484 -85.3312 -84.7325 150.567 -101.962 56.4333 -114.637 225.019 PRESSAVG: 4011200 -0.810007 -22.577 82.7243 -22.577 27.9634 53.4472 82.7244 53.4473 -6.02863 GPRESSAVG: 4011200 1.71182 -24.6554 82.1793 -22.3964 27.1784 53.2571 84.9451 53.2929 -7.45327 TIMING: 4011200 CPU: 12738.2, 0.00314257/step Wall: 12738.2, 0.00314257/step, 0.86316 hours remaining, 240.097656 MB of memory in use. ENERGY: 4011200 3979.0729 20502.0027 14452.1848 253.8938 -203088.4130 2319.9786 0.0000 0.0000 51949.6969 -109631.5833 298.5556 -161581.2802 -109286.8149 299.1135 67.6230 90.8853 760093.3708 7.0416 7.1456 PRESSURE: 4011400 -18.0526 48.1085 -90.2711 48.1088 -4.39204 124.373 -90.2705 124.372 91.3819 GPRESSURE: 4011400 29.4074 -5.32668 -15.9515 83.5687 -18.0202 184.237 -62.5691 139.101 141.408 PRESSAVG: 4011400 28.7403 -17.1635 54.2299 -17.1635 -29.2075 -20.5577 54.2299 -20.5578 5.27482 GPRESSAVG: 4011400 27.7481 -15.3945 56.3165 -20.0926 -28.2897 -18.751 50.5234 -21.508 5.65921 TIMING: 4011400 CPU: 12738.8, 0.00315579/step Wall: 12738.8, 0.00315579/step, 0.866615 hours remaining, 240.097656 MB of memory in use. ENERGY: 4011400 3945.9742 20365.4057 14502.1191 224.3354 -203281.0940 2466.7565 0.0000 0.0000 52278.3506 -109498.1526 300.4444 -161776.5032 -109123.2226 299.0276 22.9791 50.9319 760849.5197 1.6026 1.7059 PRESSURE: 4011600 -79.9387 -214.194 334.648 -214.193 -248.635 -218.091 334.648 -218.09 -67.161 GPRESSURE: 4011600 -10.252 -131.066 223.368 -306.485 -190.539 -203.967 272.418 -199.067 -96.7056 PRESSAVG: 4011600 -27.8967 -40.7158 63.2317 -40.7158 39.3673 -16.2958 63.2316 -16.2958 -0.589026 GPRESSAVG: 4011600 -27.9564 -41.0675 61.4668 -38.3158 38.5882 -17.0671 65.5472 -15.5666 -0.836468 TIMING: 4011600 CPU: 12739.4, 0.00315697/step Wall: 12739.4, 0.00315697/step, 0.866763 hours remaining, 240.097656 MB of memory in use. ENERGY: 4011600 4005.6652 20514.4651 14446.0992 251.0788 -203163.5939 2535.5005 0.0000 0.0000 51844.3142 -109566.4710 297.9500 -161410.7851 -109209.0646 299.0954 -131.9117 -99.1654 762243.2467 3.6272 3.2651 PRESSURE: 4011800 191.07 -71.9747 -59.741 -71.9742 -293.991 6.2484 -59.7411 6.24706 -278.352 GPRESSURE: 4011800 157.431 -72.1732 -84.7203 -22.8216 -250.079 26.3891 5.70057 -143.933 -212.163 PRESSAVG: 4011800 -11.0669 -52.9264 96.5226 -52.9264 17.7542 22.1093 96.5225 22.1093 1.41611 GPRESSAVG: 4011800 -10.4593 -54.4582 98.1185 -52.5809 17.2138 21.4789 93.1183 21.407 0.925005 TIMING: 4011800 CPU: 12740.1, 0.00313039/step Wall: 12740.1, 0.00313039/step, 0.859292 hours remaining, 240.097656 MB of memory in use. ENERGY: 4011800 3976.9998 20470.3703 14489.1579 243.8835 -203227.6813 2568.0147 0.0000 0.0000 52100.1765 -109379.0787 299.4204 -161479.2552 -109015.3596 299.0760 -127.0912 -101.6036 760924.7255 2.7011 2.5598 PRESSURE: 4012000 84.6948 206.306 -201.564 206.306 -113.213 49.9515 -201.564 49.9524 210.7 GPRESSURE: 4012000 99.0357 206.725 -151.157 188.633 -77.4068 4.60976 -35.3981 -58.7095 235.734 PRESSAVG: 4012000 -5.53047 -40.2364 30.1304 -40.2364 11.9087 -25.2102 30.1304 -25.2103 -16.6153 GPRESSAVG: 4012000 -7.71137 -39.9319 30.065 -40.4868 12.7226 -25.961 32.3301 -22.5274 -15.1982 TIMING: 4012000 CPU: 12740.7, 0.00313519/step Wall: 12740.7, 0.00313519/step, 0.860436 hours remaining, 240.097656 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: 4012000 3885.3029 20505.3313 14463.6155 231.3745 -203186.5755 2822.8566 0.0000 0.0000 51839.0672 -109439.0275 297.9198 -161278.0947 -109075.3251 299.4277 60.7274 85.7878 762767.4315 -3.4123 -3.3956 PRESSURE: 4012200 724.03 -55.8602 107.185 -55.8591 -72.0622 135.66 107.184 135.66 76.3694 GPRESSURE: 4012200 785.849 19.6034 79.9656 -55.4929 -6.64943 81.0111 -72.6687 111.2 21.9893 PRESSAVG: 4012200 -53.6053 -33.1768 12.8149 -33.1769 -2.32429 25.3468 12.8149 25.3467 25.8898 GPRESSAVG: 4012200 -51.3742 -32.1628 10.7282 -33.6462 -1.64767 26.0094 13.1958 23.2308 22.8455 TIMING: 4012200 CPU: 12741.3, 0.0031537/step Wall: 12741.3, 0.0031537/step, 0.865339 hours remaining, 240.097656 MB of memory in use. ENERGY: 4012200 4016.2982 20512.2140 14440.0580 263.0931 -203513.6729 2836.4043 0.0000 0.0000 52157.0293 -109288.5760 299.7472 -161445.6053 -108932.4931 299.0993 242.7792 267.0631 761338.2063 -10.0133 -10.0588 LDB: ============= START OF LOAD BALANCING ============== 12753.8 LDB: ============== END OF LOAD BALANCING =============== 12753.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12753.8 LDB: ============= START OF LOAD BALANCING ============== 12754.1 LDB: Largest compute 7048 load 0.035476 is 18.2% of average load 0.195360 LDB: Average compute 0.004405 is 2.3% of average load 0.195360 LDB: TIME 12754.1 LOAD: AVG 0.19536 MAX 0.21416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.543 MB LDB: TIME 12754.1 LOAD: AVG 0.19536 MAX 0.21416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.543 MB LDB: TIME 12754.1 LOAD: AVG 0.19536 MAX 0.21416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.543 MB LDB: ============== END OF LOAD BALANCING =============== 12754.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12754.1 PRESSURE: 4012400 -57.1131 201.618 -60.0153 201.618 21.0791 -68.362 -60.015 -68.3607 38.4994 GPRESSURE: 4012400 11.1761 137.206 -60.0864 255.537 119.846 -62.1217 154.015 -50.1217 -46.3457 PRESSAVG: 4012400 -6.71768 -45.985 65.9264 -45.985 59.5159 -12.3748 65.9263 -12.3748 -16.8566 GPRESSAVG: 4012400 -7.78937 -46.6323 64.9994 -43.7984 59.3897 -11.7492 68.2062 -9.56573 -14.8258 TIMING: 4012400 CPU: 12742, 0.00325934/step Wall: 12742, 0.00325934/step, 0.894145 hours remaining, 239.527344 MB of memory in use. ENERGY: 4012400 4053.6992 20514.7694 14485.7307 255.4674 -202977.8304 2360.7378 0.0000 0.0000 52244.8356 -109062.5904 300.2518 -161307.4260 -108706.2668 299.8779 0.8218 28.2254 760604.4478 11.9805 12.2582 PRESSURE: 4012600 -19.1782 4.79898 185.228 4.79798 -125.656 12.8673 185.227 12.8665 -70.308 GPRESSURE: 4012600 -40.65 19.3283 118.966 31.7087 -55.8154 118.904 145.054 67.8234 -42.0176 PRESSAVG: 4012600 12.559 -17.9297 33.4512 -17.9297 56.4356 -50.4299 33.4512 -50.4299 -10.8037 GPRESSAVG: 4012600 13.7013 -17.4053 35.9424 -20.0483 56.0698 -49.5887 30.6967 -52.461 -12.0477 TIMING: 4012600 CPU: 12742.6, 0.00316856/step Wall: 12742.6, 0.00316856/step, 0.869065 hours remaining, 239.527344 MB of memory in use. ENERGY: 4012600 4006.3995 20624.1985 14441.1229 215.3730 -203073.6381 2485.0219 0.0000 0.0000 52243.2650 -109058.2573 300.2428 -161301.5223 -108705.3178 300.5939 -71.7142 -46.1610 760907.5410 19.3970 19.2411 PRESSURE: 4012800 57.1109 179.637 0.556643 179.637 174.97 -38.9836 0.556735 -38.9843 -96.3107 GPRESSURE: 4012800 52.3127 130.391 -35.3751 165.682 224.04 -69.3113 -44.1098 -79.3261 -65.3728 PRESSAVG: 4012800 10.7171 -74.7041 73.3321 -74.704 18.612 -36.7134 73.3321 -36.7134 -4.86616 GPRESSAVG: 4012800 9.47739 -75.2969 70.7375 -72.7533 19.0718 -37.3113 75.5666 -37.1582 -3.93788 TIMING: 4012800 CPU: 12743.2, 0.00315146/step Wall: 12743.2, 0.00315146/step, 0.864199 hours remaining, 239.527344 MB of memory in use. ENERGY: 4012800 3947.1095 20610.4159 14442.9225 238.5709 -203432.2557 2820.4355 0.0000 0.0000 52301.0053 -109071.7962 300.5746 -161372.8015 -108710.5566 299.8011 45.2567 70.3267 761049.6429 8.1543 8.2038 PRESSURE: 4013000 30.749 -42.8537 167.374 -42.8538 -239.433 -45.037 167.374 -45.0365 535.944 GPRESSURE: 4013000 37.8361 -1.45724 202.668 -23.7862 -142.377 -64.8418 85.3054 -69.6465 518.557 PRESSAVG: 4013000 -37.318 -72.7963 64.6249 -72.7964 27.1901 19.5836 64.6249 19.5837 3.59346 GPRESSAVG: 4013000 -36.5238 -70.1873 65.6594 -74.4624 27.3068 19.6324 62.154 19.8655 2.56265 TIMING: 4013000 CPU: 12743.9, 0.00317901/step Wall: 12743.9, 0.00317901/step, 0.871579 hours remaining, 239.527344 MB of memory in use. ENERGY: 4013000 3993.0338 20625.3883 14542.5006 254.3077 -203525.2218 2738.8790 0.0000 0.0000 52121.0447 -109250.0677 299.5404 -161371.1124 -108888.0068 300.4928 109.0867 138.0051 761069.0100 -2.1782 -2.2181 PRESSURE: 4013200 -24.7671 8.36115 149.514 8.36131 120.333 11.9665 149.514 11.9661 329.231 GPRESSURE: 4013200 83.4012 -12.4906 153.728 -116.445 91.7332 27.6666 208.681 132.629 343.592 PRESSAVG: 4013200 -58.4082 19.5726 51.6153 19.5726 18.4811 26.9191 51.6153 26.9191 24.4326 GPRESSAVG: 4013200 -58.0588 19.5595 52.2804 20.4808 17.7002 26.821 52.3763 26.6918 24.5721 TIMING: 4013200 CPU: 12744.5, 0.0031527/step Wall: 12744.5, 0.0031527/step, 0.864191 hours remaining, 239.527344 MB of memory in use. ENERGY: 4013200 4035.7394 20638.0421 14447.8652 238.1873 -203366.3221 2838.7531 0.0000 0.0000 51991.4810 -109176.2540 298.7958 -161167.7350 -108828.1889 299.8815 141.5993 172.9089 761667.7685 -5.1648 -5.2621 PRESSURE: 4013400 -158.385 -85.1541 142.581 -85.1535 337.508 38.417 142.582 38.4174 60.8828 GPRESSURE: 4013400 -77.7863 -65.3047 105.808 -83.2207 385.406 -42.9244 75.1031 69.8113 28.1831 PRESSAVG: 4013400 -50.528 35.6262 -17.7391 35.6262 2.68726 8.2256 -17.7391 8.22567 6.54416 GPRESSAVG: 4013400 -50.2858 32.0339 -16.6613 36.1004 2.01728 5.94801 -18.7569 9.99283 5.96187 TIMING: 4013400 CPU: 12745.1, 0.00317109/step Wall: 12745.1, 0.00317109/step, 0.869056 hours remaining, 239.527344 MB of memory in use. ENERGY: 4013400 3979.0734 20581.8208 14542.1948 231.6886 -203652.7886 2673.8323 0.0000 0.0000 52443.6722 -109200.5065 301.3945 -161644.1787 -108838.1356 300.0814 80.0019 111.9344 760486.6201 -13.7655 -14.1022 PRESSURE: 4013600 -18.7458 -144.449 -82.1857 -144.45 -308.359 -101.46 -82.1867 -101.46 -186.404 GPRESSURE: 4013600 -27.7646 -170.46 -34.4671 -257.922 -233.32 -119.173 -59.5885 -103.686 -173.891 PRESSAVG: 4013600 -36.1196 -9.55293 -13.8005 -9.55297 43.2051 1.59226 -13.8006 1.59231 -9.18375 GPRESSAVG: 4013600 -37.4698 -8.72893 -15.4611 -10.8517 43.8844 3.16515 -14.6197 1.08563 -9.12034 TIMING: 4013600 CPU: 12745.8, 0.00314888/step Wall: 12745.8, 0.00314888/step, 0.862794 hours remaining, 239.527344 MB of memory in use. ENERGY: 4013600 4057.7987 20495.7872 14519.4165 254.2427 -203847.7326 2818.3349 0.0000 0.0000 52416.9835 -109285.1692 301.2411 -161702.1527 -108917.0234 300.2500 -171.1696 -144.9920 761151.1144 -0.6994 -0.9019 PRESSURE: 4013800 -172.273 -24.7395 -96.5233 -24.7391 -514.629 96.6129 -96.5231 96.613 -190.784 GPRESSURE: 4013800 -216.819 31.3379 -109.595 -98.9717 -451.002 187.558 -156.427 105.292 -119.15 PRESSAVG: 4013800 -22.9276 -21.8771 -8.11298 -21.8771 21.5734 -23.2973 -8.11297 -23.2974 -15.2679 GPRESSAVG: 4013800 -22.7972 -23.1948 -7.5012 -20.2476 21.4878 -22.2961 -6.54807 -24.3491 -14.946 TIMING: 4013800 CPU: 12746.4, 0.00316705/step Wall: 12746.4, 0.00316705/step, 0.867595 hours remaining, 239.527344 MB of memory in use. ENERGY: 4013800 4090.0558 20481.3842 14495.4784 246.3225 -203601.5163 2725.0357 0.0000 0.0000 52156.1132 -109407.1265 299.7419 -161563.2397 -109053.4373 300.1006 -292.5618 -262.3234 761942.4495 -5.5407 -5.4185 PRESSURE: 4014000 -171.945 -58.7175 -21.1918 -58.7174 -85.5632 -95.4339 -21.1932 -95.4328 376.062 GPRESSURE: 4014000 -126.535 -75.4805 -14.139 -52.596 -57.0391 -129.577 -27.1885 -60.2524 395.803 PRESSAVG: 4014000 -11.2134 -80.6893 -36.4249 -80.6893 -12.0806 66.5259 -36.425 66.5259 1.68688 GPRESSAVG: 4014000 -9.98949 -79.5696 -37.5113 -82.3812 -11.9376 66.8921 -35.5453 67.0929 1.13031 TIMING: 4014000 CPU: 12747, 0.00316594/step Wall: 12747, 0.00316594/step, 0.867116 hours remaining, 239.527344 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: 4014000 3928.0454 20528.0966 14502.8205 252.9521 -203038.2340 2450.1334 0.0000 0.0000 52058.6510 -109317.5350 299.1818 -161376.1861 -108953.0727 299.7369 39.5179 70.7429 761516.5220 -7.2024 -6.9323 PRESSURE: 4014200 -165.769 -216.454 130.851 -216.454 185.715 -80.2672 130.85 -80.2676 26.8714 GPRESSURE: 4014200 -34.646 -170.858 209.054 -271.349 206.586 -60.7804 82.3359 -242.114 -58.4745 PRESSAVG: 4014200 44.0709 -32.6818 11.1292 -32.6818 -27.2717 -16.2234 11.1292 -16.2234 11.9876 GPRESSAVG: 4014200 44.8025 -31.3519 12.2421 -33.3462 -28.128 -17.2953 10.2076 -16.9827 11.6209 TIMING: 4014200 CPU: 12747.7, 0.00315871/step Wall: 12747.7, 0.00315871/step, 0.864961 hours remaining, 239.527344 MB of memory in use. ENERGY: 4014200 4086.2582 20419.3648 14511.5810 246.4118 -203426.9164 2767.4689 0.0000 0.0000 52103.7241 -109292.1075 299.4408 -161395.8317 -108930.2628 299.5488 15.6056 37.8218 761378.9835 9.5956 9.4318 PRESSURE: 4014400 136.775 126.468 -234.584 126.468 -4.67826 -151.713 -234.583 -151.713 136.855 GPRESSURE: 4014400 130.152 122.338 -180.661 175.873 51.835 -160.429 -322.598 2.03395 162.796 PRESSAVG: 4014400 -12.4999 -12.7351 -21.6443 -12.7352 -11.8003 19.6328 -21.6443 19.6329 -4.54253 GPRESSAVG: 4014400 -14.5464 -11.9717 -21.4708 -11.6264 -9.81812 20.6753 -23.6462 20.3959 -4.14652 TIMING: 4014400 CPU: 12748.3, 0.00314722/step Wall: 12748.3, 0.00314722/step, 0.861638 hours remaining, 239.527344 MB of memory in use. ENERGY: 4014400 3989.3778 20579.1085 14486.5543 252.3875 -203725.0154 3012.9579 0.0000 0.0000 52183.0127 -109221.6168 299.8965 -161404.6294 -108857.9813 299.6842 89.6504 114.9276 760749.1133 -9.6143 -9.5037 PRESSURE: 4014600 -314.269 -22.6618 -192.126 -22.6616 -146.164 106.819 -192.127 106.818 -315.857 GPRESSURE: 4014600 -389.283 110.895 -208.033 127.077 -73.1464 53.9306 -186.529 132.427 -247.131 PRESSAVG: 4014600 -9.20539 -19.3805 -53.0078 -19.3804 28.8375 -17.5651 -53.0079 -17.5651 3.52427 GPRESSAVG: 4014600 -9.06972 -21.7098 -53.2791 -18.612 28.1261 -19.507 -51.5667 -16.7574 3.87636 TIMING: 4014600 CPU: 12748.9, 0.00315414/step Wall: 12748.9, 0.00315414/step, 0.863359 hours remaining, 239.527344 MB of memory in use. ENERGY: 4014600 3987.1275 20615.2554 14513.0941 245.9622 -203278.1431 2546.0459 0.0000 0.0000 52165.1716 -109205.4864 299.7940 -161370.6580 -108845.8553 300.2306 -258.7634 -236.5200 760809.4717 7.7188 7.6442 PRESSURE: 4014800 89.4375 -271.759 -186.864 -271.76 362.925 -36.3149 -186.864 -36.3161 121.849 GPRESSURE: 4014800 149.417 -184.441 -108.004 -283.295 368.606 -90.1421 -163.861 -67.8181 148.488 PRESSAVG: 4014800 15.9609 -73.0079 -34.15 -73.0079 20.4707 1.12979 -34.1501 1.12982 10.4347 GPRESSAVG: 4014800 16.1247 -72.1936 -36.1673 -72.8084 22.1223 2.62567 -29.6801 1.19411 9.14761 TIMING: 4014800 CPU: 12749.5, 0.00313582/step Wall: 12749.5, 0.00313582/step, 0.85817 hours remaining, 239.527344 MB of memory in use. ENERGY: 4014800 3949.4731 20482.5020 14539.3818 235.9224 -203433.0975 2821.7651 0.0000 0.0000 52168.5093 -109235.5437 299.8131 -161404.0531 -108866.3402 300.1842 191.4039 222.1702 760706.6270 15.6221 15.7982 PRESSURE: 4015000 107.162 -28.1664 -124.43 -28.1657 -29.8003 273.533 -124.43 273.534 -339.311 GPRESSURE: 4015000 103.99 -114.87 -82.0716 -67.2952 102.045 355.491 -19.9098 285.374 -396.344 PRESSAVG: 4015000 -10.5829 -69.1436 -39.5935 -69.1436 37.3882 -6.78781 -39.5935 -6.78786 -10.3595 GPRESSAVG: 4015000 -9.9336 -70.7005 -38.003 -70.3661 35.9983 -6.06772 -44.3526 -9.45221 -9.32019 TIMING: 4015000 CPU: 12750.2, 0.00313666/step Wall: 12750.2, 0.00313666/step, 0.858225 hours remaining, 239.527344 MB of memory in use. ENERGY: 4015000 4078.8454 20326.3005 14437.6185 241.0525 -203070.2935 2497.8723 0.0000 0.0000 52138.1839 -109350.4204 299.6389 -161488.6043 -109002.7185 299.7691 -87.3163 -63.4364 760980.6537 5.4819 5.5815 PRESSURE: 4015200 -311.56 -12.4302 -163.915 -12.4299 -377.843 93.6627 -163.915 93.6619 -11.015 GPRESSURE: 4015200 -250.74 -31.0378 -170.673 122.646 -356.12 132.722 -138.16 103.385 6.49193 PRESSAVG: 4015200 11.337 -28.2376 -21.6493 -28.2376 60.2663 46.1924 -21.6494 46.1925 -7.15225 GPRESSAVG: 4015200 10.5444 -28.2424 -22.2966 -27.0708 60.6509 44.3675 -20.5088 47.3237 -6.93624 TIMING: 4015200 CPU: 12750.8, 0.0031282/step Wall: 12750.8, 0.0031282/step, 0.855736 hours remaining, 239.527344 MB of memory in use. ENERGY: 4015200 3995.8710 20287.1432 14458.3454 251.2651 -202835.9602 2394.4136 0.0000 0.0000 52069.9048 -109379.0171 299.2465 -161448.9219 -109017.6133 299.6525 -233.4727 -200.1224 763010.0029 21.4837 21.4197 PRESSURE: 4015400 -231.81 111.913 1.02452 111.913 -36.8474 -123.309 1.02455 -123.309 118.867 GPRESSURE: 4015400 -183.002 -69.8031 108.34 153.836 -25.9243 -174.042 -42.8942 -186.848 143.251 PRESSAVG: 4015400 49.4328 -10.4209 -43.1543 -10.4209 -30.6835 45.1723 -43.1543 45.1721 7.24993 GPRESSAVG: 4015400 49.6655 -11.3692 -42.7 -12.7357 -30.9971 46.6973 -42.7819 44.6649 6.99958 TIMING: 4015400 CPU: 12751.4, 0.00316646/step Wall: 12751.4, 0.00316646/step, 0.866027 hours remaining, 239.527344 MB of memory in use. ENERGY: 4015400 3970.7926 20427.8407 14433.9681 261.0144 -203203.8154 2582.5293 0.0000 0.0000 51995.2642 -109532.4061 298.8175 -161527.6703 -109164.8501 299.3180 -49.9300 -21.8916 762637.7753 8.6664 8.5560 PRESSURE: 4015600 3.07744 -320.488 68.2455 -320.487 -119.213 176.422 68.2455 176.422 -19.9787 GPRESSURE: 4015600 -47.5354 -268.231 -35.8594 -246.806 -36.8595 152.695 -31.2817 97.2668 20.9551 PRESSAVG: 4015600 -28.2834 9.30427 -32.9063 9.30427 53.909 83.5494 -32.9063 83.5494 14.249 GPRESSAVG: 4015600 -29.1347 10.6048 -33.7734 10.9402 54.6533 83.7455 -31.9733 84.9375 15.0271 TIMING: 4015600 CPU: 12752.1, 0.00316302/step Wall: 12752.1, 0.00316302/step, 0.864911 hours remaining, 239.527344 MB of memory in use. ENERGY: 4015600 3969.4933 20561.1915 14443.7138 244.0928 -203481.6158 2652.7795 0.0000 0.0000 52026.7601 -109583.5848 298.9985 -161610.3449 -109221.1748 298.9168 -45.3714 -21.1466 763479.0137 13.2915 13.5152 PRESSURE: 4015800 11.1796 -82.363 -216.383 -82.3641 -11.0087 54.7236 -216.384 54.7237 -319.094 GPRESSURE: 4015800 47.9754 -90.825 -198.875 -23.4184 14.8902 20.1267 -229.151 -118.903 -305.109 PRESSAVG: 4015800 30.09 -10.1955 52.6058 -10.1955 -9.56007 -29.1094 52.6058 -29.1095 -13.1403 GPRESSAVG: 4015800 31.705 -9.74316 55.6961 -10.1881 -11.0148 -30.4144 50.195 -29.3819 -13.4788 TIMING: 4015800 CPU: 12752.7, 0.00315104/step Wall: 12752.7, 0.00315104/step, 0.861459 hours remaining, 239.527344 MB of memory in use. ENERGY: 4015800 4019.6562 20587.9569 14447.1790 250.1188 -203464.0881 2722.1119 0.0000 0.0000 51963.6875 -109473.3778 298.6360 -161437.0653 -109126.7795 299.4705 -106.3077 -80.7479 762471.4786 2.4632 2.4038 PRESSURE: 4016000 -212.616 -42.3297 187.772 -42.329 -316.031 46.3504 187.772 46.351 11.9674 GPRESSURE: 4016000 -286.134 -47.2944 113.91 -109.533 -194.496 11.8107 111.547 73.1948 51.8103 PRESSAVG: 4016000 5.97219 1.04988 5.73418 1.04988 -65.2764 -7.16609 5.73414 -7.16602 13.8943 GPRESSAVG: 4016000 5.361 1.07775 2.97759 -0.0986272 -63.9155 -5.98729 8.32797 -9.65681 13.4745 TIMING: 4016000 CPU: 12753.3, 0.00315133/step Wall: 12753.3, 0.00315133/step, 0.861364 hours remaining, 239.527344 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: 4016000 4029.2934 20462.8880 14476.7277 245.9430 -203349.0843 2468.2564 0.0000 0.0000 51919.6111 -109746.3648 298.3827 -161665.9759 -109390.7799 298.7869 -172.2266 -142.9398 762584.4340 -15.1366 -15.0267 PRESSURE: 4016200 -425.116 -4.83817 -66.7167 -4.83814 -88.5511 -296.443 -66.7162 -296.443 223.192 GPRESSURE: 4016200 -410.601 17.0109 92.711 -33.0817 -32.8778 -314.582 -77.3317 -235.51 240.745 PRESSAVG: 4016200 -13.1155 16.1861 53.148 16.1861 7.41986 59.6491 53.148 59.649 -9.29239 GPRESSAVG: 4016200 -12.4172 16.5235 54.2006 15.5016 6.4874 58.5795 52.4749 62.498 -9.31922 TIMING: 4016200 CPU: 12754, 0.00314345/step Wall: 12754, 0.00314345/step, 0.859035 hours remaining, 239.527344 MB of memory in use. ENERGY: 4016200 3978.8612 20506.2859 14469.7175 254.9147 -203773.1759 2692.8555 0.0000 0.0000 52016.7659 -109853.7751 298.9411 -161870.5410 -109493.7504 298.7326 -96.8248 -67.5779 760722.7580 -4.9960 -5.0830 LDB: ============= START OF LOAD BALANCING ============== 12766.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12766.4 LDB: =============== DONE WITH MIGRATION ================ 12766.4 LDB: ============= START OF LOAD BALANCING ============== 12766.7 LDB: Largest compute 7056 load 0.034302 is 17.6% of average load 0.195447 LDB: Average compute 0.004380 is 2.2% of average load 0.195447 LDB: TIME 12766.7 LOAD: AVG 0.195447 MAX 0.216836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 12766.7 LOAD: AVG 0.195447 MAX 0.216836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 12766.7 LOAD: AVG 0.195447 MAX 0.216836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 12766.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12766.7 PRESSURE: 4016400 32.5975 144.28 -14.2572 144.281 -0.444391 22.7494 -14.2565 22.7489 48.1045 GPRESSURE: 4016400 80.306 117.929 -84.3949 144.702 -19.0498 40.0647 -26.8091 117.308 98.2122 PRESSAVG: 4016400 0.498272 18.9933 -1.81202 18.9934 -19.9644 62.4287 -1.81199 62.4288 -17.4906 GPRESSAVG: 4016400 0.123668 20.2704 -2.44709 18.9685 -19.55 62.9084 -3.47412 62.6032 -17.3743 TIMING: 4016400 CPU: 12754.6, 0.00319391/step Wall: 12754.6, 0.00319391/step, 0.872648 hours remaining, 241.062500 MB of memory in use. ENERGY: 4016400 4067.9385 20389.1803 14474.7826 253.4364 -203950.1342 2826.4756 0.0000 0.0000 51896.3960 -110041.9249 298.2493 -161938.3208 -109685.7682 297.9792 26.7525 53.1562 760744.6858 -12.3189 -12.2669 PRESSURE: 4016600 -113.185 -195.887 252.216 -195.886 29.2387 27.9393 252.217 27.9384 -24.6984 GPRESSURE: 4016600 -41.1248 -182.588 312.953 -143.82 60.7095 49.9484 156.067 -16.6192 -70.953 PRESSAVG: 4016600 32.0721 11.4225 16.3705 11.4225 -61.3438 9.67244 16.3705 9.67252 9.90559 GPRESSAVG: 4016600 31.028 10.8399 15.533 11.8972 -60.9709 9.48211 19.8605 6.15212 10.977 TIMING: 4016600 CPU: 12755.2, 0.0031422/step Wall: 12755.2, 0.0031422/step, 0.858343 hours remaining, 241.265625 MB of memory in use. ENERGY: 4016600 4030.2550 20501.8580 14495.7378 237.8337 -203682.2755 2751.0431 0.0000 0.0000 51695.9700 -109969.5780 297.0974 -161665.5480 -109616.0543 297.8585 -36.2150 -17.1228 759856.6537 -6.4554 -6.3220 PRESSURE: 4016800 -160.745 161.73 15.5356 161.729 117.92 -129.514 15.5351 -129.515 -92.1009 GPRESSURE: 4016800 -68.0421 171.041 51.85 120.876 169.138 -159.824 35.5576 -108.284 -161.658 PRESSAVG: 4016800 52.2025 -33.4718 -11.9779 -33.4717 -63.4352 53.3827 -11.978 53.3827 -7.32674 GPRESSAVG: 4016800 53.6047 -35.7674 -12.2857 -34.8942 -63.8129 54.2615 -12.1766 54.3419 -8.24229 TIMING: 4016800 CPU: 12755.9, 0.00314862/step Wall: 12755.9, 0.00314862/step, 0.859922 hours remaining, 241.265625 MB of memory in use. ENERGY: 4016800 4010.1617 20513.1347 14398.1368 245.2789 -203564.0831 2577.5742 0.0000 0.0000 52019.6069 -109800.1898 298.9574 -161819.7967 -109443.7856 298.4103 -44.9754 -20.1874 760455.2926 -6.1865 -6.1502 PRESSURE: 4017000 64.5461 117.485 -101.398 117.486 104.31 24.8933 -101.398 24.8934 -228.643 GPRESSURE: 4017000 123.935 -34.6909 -33.6382 75.1771 141.317 120.331 -82.0123 7.71949 -250.048 PRESSAVG: 4017000 35.358 -46.7796 -23.3435 -46.7796 -10.332 9.14858 -23.3435 9.14862 -10.7298 GPRESSAVG: 4017000 34.3607 -45.9106 -21.9882 -45.2574 -10.2544 9.69659 -24.3452 11.1496 -10.0345 TIMING: 4017000 CPU: 12756.5, 0.00313919/step Wall: 12756.5, 0.00313919/step, 0.857173 hours remaining, 241.265625 MB of memory in use. ENERGY: 4017000 3928.7186 20713.2707 14465.6828 263.5048 -204007.7583 2945.2145 0.0000 0.0000 51962.0231 -109729.3438 298.6265 -161691.3669 -109365.7075 299.1619 -19.9291 5.0682 761259.3618 4.7654 4.6906 PRESSURE: 4017200 82.9027 59.3167 33.8893 59.3171 53.7014 68.4241 33.8895 68.4242 -112.172 GPRESSURE: 4017200 112.623 72.3871 103.03 181.356 39.0631 7.75143 -138.479 37.6274 -45.6597 PRESSAVG: 4017200 -47.9371 0.762883 39.6628 0.762908 28.6471 25.8525 39.6628 25.8526 14.5312 GPRESSAVG: 4017200 -47.5725 -1.07759 40.3675 3.26562 28.8868 25.1015 40.4876 24.5883 13.9369 TIMING: 4017200 CPU: 12757.1, 0.00312981/step Wall: 12757.1, 0.00312981/step, 0.854438 hours remaining, 241.265625 MB of memory in use. ENERGY: 4017200 3961.9405 20427.1492 14519.1142 227.7320 -203511.6489 2846.0677 0.0000 0.0000 51860.2471 -109669.3982 298.0416 -161529.6453 -109306.6655 298.9550 8.1441 35.3421 761925.4725 -1.5863 -1.5829 PRESSURE: 4017400 34.8958 -178.576 84.6195 -178.575 -84.4508 -171.978 84.6194 -171.978 275.696 GPRESSURE: 4017400 126.508 -84.6885 159.514 -188.947 -68.6689 -75.528 69.3483 -120.269 248.347 PRESSAVG: 4017400 13.6404 -32.094 3.04817 -32.0939 30.2452 47.6548 3.04812 47.6548 12.2568 GPRESSAVG: 4017400 14.8236 -29.2563 2.5525 -33.2388 28.5795 46.5592 1.05278 47.9716 12.6273 TIMING: 4017400 CPU: 12757.7, 0.00313219/step Wall: 12757.7, 0.00313219/step, 0.854915 hours remaining, 241.265625 MB of memory in use. ENERGY: 4017400 3933.7429 20373.4734 14423.1482 255.5912 -203399.8518 2496.0386 0.0000 0.0000 52331.5413 -109586.3162 300.7501 -161917.8576 -109225.2186 299.4564 75.3804 102.0619 760701.0615 18.7141 18.6768 PRESSURE: 4017600 63.2346 109.816 -236.8 109.815 -82.6082 -166.239 -236.799 -166.239 -88.3403 GPRESSURE: 4017600 13.5527 167.634 -200.664 67.6118 66.0758 -231.822 -302.499 -225.749 -99.7752 PRESSAVG: 4017600 -29.4023 17.8669 -5.86229 17.8669 61.2157 6.81356 -5.86229 6.81361 8.94829 GPRESSAVG: 4017600 -31.1232 17.0653 -4.98045 15.6896 62.4295 9.15761 -6.38805 5.10677 9.34619 TIMING: 4017600 CPU: 12758.4, 0.00315452/step Wall: 12758.4, 0.00315452/step, 0.860833 hours remaining, 241.265625 MB of memory in use. ENERGY: 4017600 4014.4752 20392.6976 14442.4064 253.0536 -203634.8062 2793.5764 0.0000 0.0000 52202.7985 -109535.7983 300.0102 -161738.5969 -109169.4202 299.1337 -35.9046 -6.7156 760678.6351 13.5872 13.5508 PRESSURE: 4017800 302.21 100.104 -35.7219 100.104 187.275 -213.233 -35.7222 -213.232 90.4935 GPRESSURE: 4017800 429.355 76.9316 -17.0624 84.2395 170.872 -302.296 -91.6076 -238.838 76.4661 PRESSAVG: 4017800 -24.9774 17.3419 -30.059 17.3419 -15.3695 -43.9098 -30.0591 -43.9098 -1.28505 GPRESSAVG: 4017800 -24.0106 14.9915 -31.4542 18.854 -16.3819 -45.5115 -27.4095 -42.688 -1.16519 TIMING: 4017800 CPU: 12759, 0.00316567/step Wall: 12759, 0.00316567/step, 0.8637 hours remaining, 241.265625 MB of memory in use. ENERGY: 4017800 3982.5830 20399.6377 14487.9677 231.4454 -203862.9328 2893.1519 0.0000 0.0000 52213.2772 -109654.8699 300.0704 -161868.1472 -109295.4945 298.7267 193.3261 225.5645 760480.3511 -13.8773 -13.8526 PRESSURE: 4018000 -296.706 160.875 94.2261 160.873 -43.6232 259.295 94.2254 259.295 120.006 GPRESSURE: 4018000 -265.147 86.6097 71.9672 97.9264 33.1739 202.768 116.98 286.113 85.4129 PRESSAVG: 4018000 22.2538 -7.59881 40.9643 -7.59882 17.5165 25.7496 40.9644 25.7497 36.097 GPRESSAVG: 4018000 23.7178 -6.00145 40.6262 -6.8892 18.0505 26.9565 39.2225 25.6431 34.3554 TIMING: 4018000 CPU: 12759.6, 0.0031642/step Wall: 12759.6, 0.0031642/step, 0.863124 hours remaining, 241.265625 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: 4018000 3908.9830 20363.2293 14424.0319 241.8399 -203445.8707 2604.2589 0.0000 0.0000 52151.2199 -109752.3077 299.7138 -161903.5276 -109390.0289 298.8997 -73.4408 -48.8533 761660.5848 25.2891 25.3746 PRESSURE: 4018200 -94.6977 -96.7353 -171.218 -96.7347 -133.279 -169.503 -171.217 -169.502 411.648 GPRESSURE: 4018200 -80.2384 -91.3276 -201.89 -43.8857 7.56464 -193.568 -198.263 -163.253 331.033 PRESSAVG: 4018200 -1.52503 -4.04296 -15.0806 -4.04299 -32.4507 -5.65275 -15.0806 -5.65277 -1.26067 GPRESSAVG: 4018200 -2.32058 -3.67024 -14.8775 -3.36163 -32.501 -7.69994 -13.9968 -4.23849 0.0359948 TIMING: 4018200 CPU: 12760.3, 0.00314412/step Wall: 12760.3, 0.00314412/step, 0.857473 hours remaining, 241.265625 MB of memory in use. ENERGY: 4018200 3958.4460 20369.3136 14430.9256 238.1544 -203562.6569 2882.5156 0.0000 0.0000 51984.0496 -109699.2521 298.7530 -161683.3017 -109340.5324 298.2292 61.2238 86.1197 761386.7591 -11.7455 -11.5952 PRESSURE: 4018400 -335.557 64.5069 62.0424 64.5072 -366.086 91.9597 62.0423 91.9597 -42.3661 GPRESSURE: 4018400 -378.394 137.379 15.0295 -74.1463 -306.987 92.9413 168.391 270.938 23.3597 PRESSAVG: 4018400 20.2427 -18.2778 -26.4913 -18.2778 -45.8242 0.917109 -26.4913 0.917087 -9.3879 GPRESSAVG: 4018400 18.4639 -18.6494 -27.226 -20.0987 -43.8932 1.44526 -28.2257 0.453663 -9.1143 TIMING: 4018400 CPU: 12760.9, 0.00313252/step Wall: 12760.9, 0.00313252/step, 0.854133 hours remaining, 241.265625 MB of memory in use. ENERGY: 4018400 4083.3236 20501.8082 14504.6465 243.9349 -202706.8169 2142.5736 0.0000 0.0000 51494.6719 -109735.8582 295.9406 -161230.5302 -109380.2847 298.0146 -248.0028 -220.6740 762748.5612 -11.6565 -11.5145 PRESSURE: 4018600 -99.2184 58.3674 35.0532 58.3681 146.025 12.9237 35.0535 12.9237 202.855 GPRESSURE: 4018600 14.4343 72.3032 97.779 81.9758 187.092 -11.184 -6.96863 -38.611 118.639 PRESSAVG: 4018600 -3.26135 6.47151 13.8856 6.47149 0.958349 43.3415 13.8856 43.3416 -6.29486 GPRESSAVG: 4018600 -2.71381 6.85169 14.3794 7.57064 -0.203278 43.8551 14.5558 42.9724 -6.40781 TIMING: 4018600 CPU: 12761.5, 0.003151/step Wall: 12761.5, 0.003151/step, 0.858997 hours remaining, 241.265625 MB of memory in use. ENERGY: 4018600 4007.7127 20432.3620 14449.8925 245.7518 -203472.0974 2695.1706 0.0000 0.0000 51842.5087 -109798.6992 297.9396 -161641.2079 -109443.2601 298.4158 83.2204 106.7217 760874.9600 -2.8660 -3.1083 PRESSURE: 4018800 -307.341 47.1389 60.0586 47.1385 -260.489 -100.779 60.0577 -100.779 -388.366 GPRESSURE: 4018800 -277.183 44.0804 43.0308 110.979 -199.587 -132.523 12.6464 -22.7713 -411.841 PRESSAVG: 4018800 -15.0408 22.6623 6.78467 22.6622 3.65896 -13.5135 6.78461 -13.5135 -1.56613 GPRESSAVG: 4018800 -14.5079 22.4659 7.59805 23.4388 2.38466 -13.8604 5.92968 -13.8524 -1.05191 TIMING: 4018800 CPU: 12762.1, 0.00313898/step Wall: 12762.1, 0.00313898/step, 0.855547 hours remaining, 241.265625 MB of memory in use. ENERGY: 4018800 3994.3352 20585.0519 14498.9661 249.3127 -203473.1899 2364.1288 0.0000 0.0000 51959.1195 -109822.2757 298.6098 -161781.3952 -109460.8843 297.8383 -318.7321 -296.2036 762560.6930 -4.3160 -4.3917 PRESSURE: 4019000 -284.662 82.8726 36.5399 82.873 -46.1825 289.763 36.5403 289.762 384.438 GPRESSURE: 4019000 -267.115 86.3352 12.1982 89.3369 38.6315 283.434 -21.0463 322.043 362.047 PRESSAVG: 4019000 -32.1219 -54.1156 -16.9251 -54.1156 -11.6736 51.1903 -16.9252 51.1902 -28.9997 GPRESSAVG: 4019000 -32.7918 -54.52 -19.4744 -54.3728 -11.4348 53.055 -15.8027 50.4211 -28.6987 TIMING: 4019000 CPU: 12762.8, 0.00316882/step Wall: 12762.8, 0.00316882/step, 0.863502 hours remaining, 241.265625 MB of memory in use. ENERGY: 4019000 3962.9224 20410.8816 14517.7950 231.7038 -203129.0348 2278.9707 0.0000 0.0000 52035.1862 -109691.5752 299.0469 -161726.7614 -109333.6611 298.1643 17.8646 44.5211 761351.4101 -24.2651 -24.3084 PRESSURE: 4019200 367.91 -62.96 1.12622 -62.9596 121.268 -106.491 1.12554 -106.492 173.173 GPRESSURE: 4019200 403.852 44.2858 -4.93675 1.1893 131.214 -70.9355 6.41823 -131.903 208.417 PRESSAVG: 4019200 14.8102 -5.47447 -36.4132 -5.47447 0.814376 -9.22317 -36.4132 -9.22312 3.18423 GPRESSAVG: 4019200 14.9067 -3.47285 -34.4878 -5.23935 2.12425 -9.44919 -37.727 -8.75445 2.6065 TIMING: 4019200 CPU: 12763.4, 0.00314246/step Wall: 12763.4, 0.00314246/step, 0.856145 hours remaining, 241.265625 MB of memory in use. ENERGY: 4019200 3943.5580 20390.6471 14518.9536 244.8609 -203804.7819 2862.6243 0.0000 0.0000 52039.9581 -109804.1799 299.0744 -161844.1380 -109437.6354 298.4598 220.7840 247.8275 760866.9273 6.2696 6.5458 PRESSURE: 4019400 259.923 -55.7155 223.274 -55.7159 373.17 -32.4712 223.275 -32.4714 -61.1841 GPRESSURE: 4019400 189.702 -35.5096 323.395 -77.3811 462.068 44.262 186.285 -12.3194 4.81598 PRESSAVG: 4019400 36.5215 -12.2592 42.7366 -12.2592 18.0967 30.5765 42.7366 30.5766 -9.20383 GPRESSAVG: 4019400 37.7976 -13.4427 42.1549 -13.1097 16.3715 29.9815 44.5567 31.2444 -8.57647 TIMING: 4019400 CPU: 12764, 0.00312796/step Wall: 12764, 0.00312796/step, 0.852021 hours remaining, 241.265625 MB of memory in use. ENERGY: 4019400 3932.1033 20486.0896 14464.3569 256.2892 -203715.0336 2880.6346 0.0000 0.0000 51966.0289 -109729.5311 298.6495 -161695.5600 -109368.7827 298.4386 190.6362 218.8620 761674.9060 15.1381 15.1975 PRESSURE: 4019600 196.985 9.73377 34.8364 9.73382 -148.29 127.891 34.8366 127.891 236.505 GPRESSURE: 4019600 168.965 9.14526 63.0083 -80.1301 -29.7907 101.774 78.0473 210.174 241.021 PRESSAVG: 4019600 -32.1805 -36.4616 0.807265 -36.4616 36.206 26.5917 0.807266 26.5917 5.16768 GPRESSAVG: 4019600 -32.9409 -38.2824 1.45101 -35.8489 37.7258 25.8314 1.20857 25.6567 5.13798 TIMING: 4019600 CPU: 12764.7, 0.00315739/step Wall: 12764.7, 0.00315739/step, 0.859862 hours remaining, 241.265625 MB of memory in use. ENERGY: 4019600 4064.8963 20596.3997 14513.3360 241.8291 -203673.5444 2802.2975 0.0000 0.0000 51693.7942 -109760.9915 297.0849 -161454.7857 -109417.8965 298.2754 95.0665 126.7318 761204.7857 3.0644 3.3076 PRESSURE: 4019800 283.965 206.09 38.1899 206.089 306.63 98.3073 38.1911 98.3073 344.592 GPRESSURE: 4019800 270.337 330.259 -15.9632 155.823 352.071 -14.19 94.3595 -1.49533 387.379 PRESSAVG: 4019800 -5.7161 11.9097 21.6151 11.9097 34.2794 -22.6906 21.6151 -22.6905 -10.7659 GPRESSAVG: 4019800 -5.29669 13.1292 20.5992 12.1363 34.1514 -21.3858 21.7632 -22.0658 -11.7716 TIMING: 4019800 CPU: 12765.3, 0.00314297/step Wall: 12765.3, 0.00314297/step, 0.85576 hours remaining, 241.265625 MB of memory in use. ENERGY: 4019800 4097.9162 20557.7473 14446.5685 231.2351 -203509.0528 2904.5898 0.0000 0.0000 51816.9018 -109454.0941 297.7924 -161270.9959 -109105.6340 298.4024 311.7289 336.5956 761211.6659 5.9324 5.6944 PRESSURE: 4020000 363.542 51.465 147.363 51.465 184.191 75.4349 147.364 75.4353 74.5905 GPRESSURE: 4020000 371.819 62.5342 206.307 -37.5246 177.078 17.4785 69.3341 -71.2694 143.114 PRESSAVG: 4020000 40.4893 3.86557 -15.6939 3.86554 -33.3102 -7.51674 -15.6939 -7.51681 -27.0695 GPRESSAVG: 4020000 41.1315 5.91758 -13.2482 2.18036 -35.0103 -8.42706 -16.9298 -7.79161 -25.7423 TIMING: 4020000 CPU: 12765.9, 0.00316343/step Wall: 12765.9, 0.00316343/step, 0.861156 hours remaining, 241.265625 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: 4020000 3944.3696 20536.0552 14482.3665 255.4694 -203486.4523 2663.5299 0.0000 0.0000 51972.5913 -109632.0703 298.6872 -161604.6616 -109288.1323 298.7727 207.4410 230.6702 761918.7409 -6.6301 -6.5404 PRESSURE: 4020200 -0.294646 159.34 97.3787 159.341 11.3238 58.9898 97.3784 58.9904 -250.642 GPRESSURE: 4020200 88.575 178.578 25.3616 180.468 63.9762 41.0467 174.299 147.015 -314.433 PRESSAVG: 4020200 25.382 -16.9425 0.777707 -16.9424 22.4925 -22.569 0.777712 -22.5689 3.81403 GPRESSAVG: 4020200 23.6348 -19.4618 -1.16678 -16.5541 23.8592 -20.1562 0.60851 -21.8153 3.77663 TIMING: 4020200 CPU: 12766.6, 0.00314281/step Wall: 12766.6, 0.00314281/step, 0.855369 hours remaining, 241.265625 MB of memory in use. ENERGY: 4020200 4122.2496 20350.4594 14465.5202 263.2308 -203566.8329 2715.5633 0.0000 0.0000 52194.6259 -109455.1835 299.9632 -161649.8095 -109084.2181 299.4081 -79.8708 -53.9606 761527.6929 17.2295 17.0902 LDB: ============= START OF LOAD BALANCING ============== 12779 LDB: ============== END OF LOAD BALANCING =============== 12779 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12779 LDB: ============= START OF LOAD BALANCING ============== 12779.3 LDB: Largest compute 7048 load 0.034375 is 17.6% of average load 0.195390 LDB: Average compute 0.004389 is 2.2% of average load 0.195390 LDB: TIME 12779.3 LOAD: AVG 0.19539 MAX 0.216446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 12779.3 LOAD: AVG 0.19539 MAX 0.216446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 12779.3 LOAD: AVG 0.19539 MAX 0.216446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 12779.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12779.3 PRESSURE: 4020400 126.676 39.0559 123.158 39.0567 -440.186 -79.7146 123.158 -79.7154 -204.118 GPRESSURE: 4020400 90.7001 -49.7841 36.5837 26.6259 -235.155 -80.6688 93.672 -24.7151 -276.738 PRESSAVG: 4020400 38.6847 -14.3275 -7.9896 -14.3275 -42.8757 -11.4081 -7.9896 -11.4081 -7.5859 GPRESSAVG: 4020400 39.5255 -15.3178 -7.23688 -13.5865 -42.4056 -13.5207 -7.47323 -12.0097 -9.0842 TIMING: 4020400 CPU: 12767.2, 0.00321186/step Wall: 12767.2, 0.00321186/step, 0.873983 hours remaining, 241.378906 MB of memory in use. ENERGY: 4020400 3940.8527 20416.3944 14492.7919 250.6016 -203066.9557 2528.5448 0.0000 0.0000 52132.4082 -109305.3620 299.6057 -161437.7703 -108941.5523 299.3456 -172.5427 -140.3977 763023.6123 -3.9256 -3.9881 PRESSURE: 4020600 0.54382 18.1091 94.3868 18.1089 -161.859 84.9826 94.3864 84.9817 -176.559 GPRESSURE: 4020600 64.8998 -42.5019 -1.00869 -7.16112 -188.021 -15.6648 125.968 45.1172 -135.255 PRESSAVG: 4020600 16.1276 34.396 16.095 34.396 -4.80987 18.5852 16.095 18.5852 4.27509 GPRESSAVG: 4020600 15.2845 34.0708 14.6299 35.4683 -5.66243 17.7771 17.0301 20.0501 6.08205 TIMING: 4020600 CPU: 12767.8, 0.00315474/step Wall: 12767.8, 0.00315474/step, 0.858266 hours remaining, 241.378906 MB of memory in use. ENERGY: 4020600 3975.9365 20336.8318 14546.8546 267.0827 -203583.2347 2810.1404 0.0000 0.0000 52048.2196 -109598.1691 299.1218 -161646.3887 -109235.4178 299.2983 -112.6246 -86.1254 762240.5700 5.1976 5.2347 PRESSURE: 4020800 307.783 -127.854 -82.3311 -127.854 7.24658 -191.716 -82.3314 -191.716 -26.2174 GPRESSURE: 4020800 386.694 -176.755 -9.75792 -143.103 31.9923 -178.749 -62.5261 -20.9911 -45.1115 PRESSAVG: 4020800 -25.7529 8.74245 20.902 8.74247 28.0589 -12.8956 20.902 -12.8956 10.3502 GPRESSAVG: 4020800 -23.258 10.4603 23.0078 6.45139 27.4051 -12.0943 21.1183 -15.72 8.99456 TIMING: 4020800 CPU: 12768.4, 0.00311796/step Wall: 12768.4, 0.00311796/step, 0.848084 hours remaining, 241.378906 MB of memory in use. ENERGY: 4020800 3981.6519 20387.9546 14422.6972 236.1609 -203692.9897 2961.9235 0.0000 0.0000 51759.2311 -109943.3705 297.4610 -161702.6016 -109592.6092 298.5313 96.2709 124.5249 761610.2204 4.2187 4.3805 PRESSURE: 4021000 -215.711 16.3737 12.6232 16.3736 -381.491 20.0196 12.6236 20.0195 -384.242 GPRESSURE: 4021000 -233.206 -88.8067 7.89578 15.8078 -260.528 -48.7689 -44.4418 50.466 -416.005 PRESSAVG: 4021000 52.5595 -40.4794 50.938 -40.4794 -39.3191 14.1262 50.938 14.1262 10.5321 GPRESSAVG: 4021000 51.4635 -41.9469 50.7375 -39.0888 -39.0255 15.5675 48.8439 14.8748 11.1718 TIMING: 4021000 CPU: 12769.1, 0.00313258/step Wall: 12769.1, 0.00313258/step, 0.851889 hours remaining, 241.378906 MB of memory in use. ENERGY: 4021000 4000.4756 20397.0399 14521.7070 226.3574 -203189.7171 2367.4436 0.0000 0.0000 51614.3110 -110062.3824 296.6282 -161676.6934 -109701.6706 297.9384 -327.1479 -303.2465 763326.9945 7.9242 7.8699 PRESSURE: 4021200 495.531 41.6024 -199.593 41.6026 -157.333 44.1575 -199.593 44.1579 110.807 GPRESSURE: 4021200 500.757 -33.2576 -162.793 70.1332 -77.6005 -26.6382 -75.7808 46.1354 109.025 PRESSAVG: 4021200 6.05082 -4.13016 45.4089 -4.13025 42.3556 17.1383 45.4088 17.1383 3.55838 GPRESSAVG: 4021200 5.9477 -4.3918 45.1533 -3.63482 42.9863 16.5557 45.7044 16.9778 3.00216 TIMING: 4021200 CPU: 12769.7, 0.00316342/step Wall: 12769.7, 0.00316342/step, 0.8601 hours remaining, 241.378906 MB of memory in use. ENERGY: 4021200 3996.7569 20291.9837 14467.3735 256.7211 -203666.7568 2450.7591 0.0000 0.0000 52181.3371 -110021.8254 299.8869 -162203.1625 -109653.1880 297.5678 149.6686 177.3938 761033.3768 17.3216 17.3121 PRESSURE: 4021400 -294.135 88.4894 40.2132 88.4889 -278.727 143.727 40.214 143.727 -397.577 GPRESSURE: 4021400 -291.406 59.8855 49.516 -11.8126 -234.402 -8.10464 43.6156 144.839 -369.413 PRESSAVG: 4021400 4.81553 24.1087 34.9012 24.1087 -15.8734 106.634 34.9011 106.634 18.753 GPRESSAVG: 4021400 4.26021 24.9544 35.6764 22.7935 -16.5424 105.977 35.5993 106.467 19.9737 TIMING: 4021400 CPU: 12770.3, 0.00314408/step Wall: 12770.3, 0.00314408/step, 0.854665 hours remaining, 241.378906 MB of memory in use. ENERGY: 4021400 3947.1184 20382.1554 14496.2696 239.1090 -203468.5365 2465.8800 0.0000 0.0000 51973.5052 -109964.4988 298.6924 -161938.0040 -109617.6241 298.3064 -323.4794 -298.4071 762044.0354 2.5651 2.5638 PRESSURE: 4021600 -132.08 137.852 217.684 137.852 -79.998 -189.373 217.684 -189.373 -68.2471 GPRESSURE: 4021600 -71.1741 106.897 129.542 175.924 -66.7539 -194.363 153.922 -77.7448 -54.837 PRESSAVG: 4021600 -29.8252 -41.3396 45.9656 -41.3397 10.2611 24.5769 45.9657 24.5769 -5.55552 GPRESSAVG: 4021600 -29.393 -41.6147 45.8747 -39.7968 10.5281 24.3441 46.2459 24.7119 -5.70931 TIMING: 4021600 CPU: 12771, 0.00313864/step Wall: 12771, 0.00313864/step, 0.853011 hours remaining, 241.378906 MB of memory in use. ENERGY: 4021600 4002.3000 20333.1686 14467.6558 238.9389 -203522.0583 2622.0839 0.0000 0.0000 51983.1023 -109874.8088 298.7476 -161857.9111 -109517.0172 297.9345 -93.4416 -64.2550 763059.6840 -8.3732 -8.1914 PRESSURE: 4021800 -118.908 -163.666 233.576 -163.666 -48.1751 371.819 233.576 371.818 -215.203 GPRESSURE: 4021800 -136.586 -189.333 154.843 -152.233 -54.5143 337.687 129.417 348.13 -105.126 PRESSAVG: 4021800 -2.26538 -19.5789 25.7088 -19.5789 17.8813 20.1556 25.7088 20.1556 15.0963 GPRESSAVG: 4021800 -2.56829 -15.823 25.6554 -21.3302 18.0949 21.1529 26.472 20.5722 14.9598 TIMING: 4021800 CPU: 12771.6, 0.00315677/step Wall: 12771.6, 0.00315677/step, 0.857765 hours remaining, 241.378906 MB of memory in use. ENERGY: 4021800 3936.8871 20437.4812 14508.9943 255.8845 -203900.9707 2915.5240 0.0000 0.0000 51901.4237 -109944.7758 298.2782 -161846.1995 -109584.4032 298.4617 -127.4287 -98.7423 761903.2733 10.2374 10.1621 PRESSURE: 4022000 303.34 7.26146 -37.9158 7.2604 -111.8 248.731 -37.917 248.732 247.13 GPRESSURE: 4022000 298.039 -22.5124 49.9597 33.8274 -39.2768 180.176 -52.9964 282.957 263.762 PRESSAVG: 4022000 54.5713 -31.7593 -49.4022 -31.7593 -17.2381 -1.22095 -49.4022 -1.22093 39.3968 GPRESSAVG: 4022000 54.0758 -35.018 -47.0709 -29.6268 -18.4344 -2.7985 -51.9222 -0.453007 40.7559 TIMING: 4022000 CPU: 12772.2, 0.00314288/step Wall: 12772.2, 0.00314288/step, 0.853815 hours remaining, 241.378906 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: 4022000 3914.5466 20595.8307 14482.2627 259.2796 -203460.3158 2544.7723 0.0000 0.0000 51812.0379 -109851.5861 297.7645 -161663.6240 -109501.5839 298.4996 146.2235 174.1749 762000.7259 25.5767 25.4658 PRESSURE: 4022200 303.243 -263.38 170.924 -263.38 23.1856 -89.6804 170.924 -89.6811 -243.69 GPRESSURE: 4022200 287.18 -137.443 164.612 -185.828 72.0382 -159.466 129.301 -76.4888 -205.376 PRESSAVG: 4022200 10.1693 -51.949 32.8602 -51.9489 -13.6933 -6.43407 32.8601 -6.43406 -27.2092 GPRESSAVG: 4022200 12.414 -50.7875 28.9747 -53.4266 -14.7829 -5.06161 35.1205 -5.87841 -27.972 TIMING: 4022200 CPU: 12772.9, 0.00313139/step Wall: 12772.9, 0.00313139/step, 0.85052 hours remaining, 241.378906 MB of memory in use. ENERGY: 4022200 3979.9407 20424.0807 14428.7370 244.3756 -203770.0791 2892.8985 0.0000 0.0000 51993.0607 -109806.9859 298.8048 -161800.0466 -109440.9642 298.5616 27.5797 51.2807 762362.6709 -10.2444 -10.1136 PRESSURE: 4022400 -403.825 -167.899 13.7096 -167.898 151.568 -75.6628 13.7096 -75.6638 68.4023 GPRESSURE: 4022400 -248.471 -216.899 21.3776 -178.199 71.3746 -5.75177 15.9781 -86.548 82.546 PRESSAVG: 4022400 19.4058 -41.1666 -9.96992 -41.1666 -29.0814 -28.4553 -9.96996 -28.4554 -19.9737 GPRESSAVG: 4022400 19.2517 -42.5808 -7.25984 -40.698 -27.5256 -27.4901 -9.28709 -31.7192 -20.8454 TIMING: 4022400 CPU: 12773.5, 0.00314353/step Wall: 12773.5, 0.00314353/step, 0.853643 hours remaining, 241.378906 MB of memory in use. ENERGY: 4022400 4034.9639 20402.3581 14492.4756 247.2721 -203660.6275 2639.2724 0.0000 0.0000 52079.9448 -109764.3407 299.3042 -161844.2854 -109404.0835 298.6989 -61.2848 -31.5167 760743.8967 -9.8831 -9.7064 PRESSURE: 4022600 -145.485 20.413 88.3349 20.4126 -73.8333 45.976 88.3362 45.9761 -104.292 GPRESSURE: 4022600 42.7978 22.4536 80.2999 46.2474 -137.19 -32.0426 71.2027 155.401 -135.53 PRESSAVG: 4022600 27.0887 -5.46192 -30.2448 -5.46188 -23.2036 50.879 -30.2448 50.879 1.76177 GPRESSAVG: 4022600 26.9127 -5.75856 -30.4932 -4.90637 -23.6744 51.5979 -32.1602 52.3608 2.51591 TIMING: 4022600 CPU: 12774.1, 0.00312982/step Wall: 12774.1, 0.00312982/step, 0.849747 hours remaining, 241.378906 MB of memory in use. ENERGY: 4022600 4015.7154 20626.3788 14489.9697 233.8832 -203090.7906 2291.9089 0.0000 0.0000 51965.0682 -109467.8665 298.6440 -161432.9347 -109106.2367 298.5545 -107.8701 -76.6410 762186.6341 1.8823 1.9181 PRESSURE: 4022800 162.204 14.7246 171.3 14.7249 62.38 -185.166 171.299 -185.166 -225.113 GPRESSURE: 4022800 240.275 112.005 184.022 29.3456 140.271 -203.593 141.614 -249.31 -282.751 PRESSAVG: 4022800 34.9057 7.60738 4.01521 7.60732 -21.0597 2.65016 4.01527 2.65007 3.80633 GPRESSAVG: 4022800 34.5579 7.70713 2.77673 7.23394 -20.3093 -0.308744 4.32258 3.59398 3.60316 TIMING: 4022800 CPU: 12774.7, 0.00313235/step Wall: 12774.7, 0.00313235/step, 0.850259 hours remaining, 241.378906 MB of memory in use. ENERGY: 4022800 4016.2004 20274.4471 14479.4779 238.3708 -203362.0980 2737.0821 0.0000 0.0000 52198.4202 -109418.0996 299.9850 -161616.5198 -109047.5743 298.8503 -0.1766 32.5985 761628.4011 5.8841 5.9506 PRESSURE: 4023000 -269.616 11.1996 -49.3791 11.1993 217.758 87.9842 -49.3788 87.9845 -219.679 GPRESSURE: 4023000 -156.611 113.819 -134.556 111.274 202.239 50.8609 -95.7542 77.6916 -228.682 PRESSAVG: 4023000 44.1545 -19.842 -53.3292 -19.8421 -14.1128 7.84842 -53.3293 7.84842 -12.2592 GPRESSAVG: 4023000 45.2613 -20.3242 -53.1116 -18.2034 -15.4587 9.02343 -54.5926 7.78531 -12.0316 TIMING: 4023000 CPU: 12775.4, 0.00313459/step Wall: 12775.4, 0.00313459/step, 0.850694 hours remaining, 241.378906 MB of memory in use. ENERGY: 4023000 3985.0879 20489.2465 14532.3011 251.7729 -203441.7339 2541.7394 0.0000 0.0000 52235.2875 -109406.2985 300.1969 -161641.5859 -109041.3468 299.5383 -90.5123 -61.0180 762176.1650 5.9275 5.9237 PRESSURE: 4023200 -62.6594 -230.425 101.785 -230.425 75.5668 104.268 101.785 104.268 -86.4189 GPRESSURE: 4023200 -75.6731 -213.322 200.681 -82.7373 129.944 101.685 58.5655 65.3369 -61.4078 PRESSAVG: 4023200 -5.44346 -38.1332 -34.4655 -38.1332 -36.4206 10.0099 -34.4655 10.01 19.465 GPRESSAVG: 4023200 -7.07057 -34.8358 -35.1948 -41.215 -35.2185 10.4161 -32.3963 10.8158 20.0335 TIMING: 4023200 CPU: 12776, 0.00313611/step Wall: 12776, 0.00313611/step, 0.850931 hours remaining, 241.378906 MB of memory in use. ENERGY: 4023200 4016.0571 20502.2697 14486.3075 256.2280 -203506.5038 2712.0954 0.0000 0.0000 52168.9992 -109364.5469 299.8160 -161533.5461 -108999.5717 299.0439 -24.5039 -2.3788 763592.3416 -7.4664 -7.4185 PRESSURE: 4023400 399.969 -0.818938 -76.2883 -0.819482 279.536 -136.069 -76.2868 -136.068 330.5 GPRESSURE: 4023400 473.695 8.63935 -19.5207 -41.1552 290.497 -40.7361 -52.6321 -102.053 323.615 PRESSAVG: 4023400 11.6377 -8.41064 24.7544 -8.41061 35.4548 -36.3106 24.7544 -36.3106 -9.83509 GPRESSAVG: 4023400 12.3778 -9.84553 24.1152 -6.2101 35.1513 -35.9782 24.4851 -39.5948 -10.2391 TIMING: 4023400 CPU: 12776.6, 0.00314931/step Wall: 12776.6, 0.00314931/step, 0.854337 hours remaining, 241.378906 MB of memory in use. ENERGY: 4023400 3936.6692 20457.1795 14463.0470 233.3259 -203409.9017 2936.4786 0.0000 0.0000 52279.1377 -109104.0639 300.4489 -161383.2016 -108729.0785 299.5132 336.6687 362.6024 761495.8471 12.4192 12.4300 PRESSURE: 4023600 -174.848 56.9095 125.754 56.9111 -205.197 -104.571 125.755 -104.571 76.941 GPRESSURE: 4023600 -107.572 144.918 54.3159 6.08251 -184.344 -37.6978 -3.48588 -131.997 91.4314 PRESSAVG: 4023600 61.6438 8.93949 -38.306 8.93953 -51.4742 -50.8684 -38.306 -50.8683 4.61956 GPRESSAVG: 4023600 60.7766 9.0766 -36.6851 7.72561 -51.4577 -51.0709 -38.328 -50.0969 5.39421 TIMING: 4023600 CPU: 12777.2, 0.00315404/step Wall: 12777.2, 0.00315404/step, 0.855445 hours remaining, 241.378906 MB of memory in use. ENERGY: 4023600 4074.5042 20570.4163 14433.5433 236.4878 -202881.0411 2368.0254 0.0000 0.0000 52077.8624 -109120.2018 299.2922 -161198.0641 -108768.2398 300.0035 -101.0347 -66.8283 762700.5993 4.9297 4.9044 PRESSURE: 4023800 -26.5341 214.227 22.8569 214.226 -96.1583 -256.416 22.8565 -256.417 -328.565 GPRESSURE: 4023800 82.5652 198.179 38.6788 151.102 -112.701 -204.837 109.527 -231.975 -333.676 PRESSAVG: 4023800 31.9544 -71.4426 21.3641 -71.4426 -64.3048 -24.0977 21.3641 -24.0978 17.6831 GPRESSAVG: 4023800 32.3861 -71.5841 20.5215 -71.2984 -64.5318 -24.5576 21.6183 -22.9169 17.3272 TIMING: 4023800 CPU: 12777.9, 0.00313694/step Wall: 12777.9, 0.00313694/step, 0.850633 hours remaining, 241.378906 MB of memory in use. ENERGY: 4023800 3981.9616 20387.7144 14556.6440 248.7519 -202969.9362 2518.7112 0.0000 0.0000 51806.9856 -109469.1676 297.7355 -161276.1532 -109097.3398 299.1466 -150.4190 -121.2707 762353.0625 -4.8891 -4.9395 PRESSURE: 4024000 177.342 61.1657 -99.2343 61.1658 138.658 76.6285 -99.2339 76.6285 -216.782 GPRESSURE: 4024000 272.182 -10.1611 -157.329 -29.544 112.263 31.5439 -74.5189 3.67993 -175.394 PRESSAVG: 4024000 19.4946 -31.6665 11.5171 -31.6664 -13.6697 -1.75549 11.5171 -1.75544 -7.36108 GPRESSAVG: 4024000 19.6958 -32.1224 9.91796 -31.6965 -13.5536 -0.25603 10.5584 -3.72986 -7.28474 TIMING: 4024000 CPU: 12778.5, 0.00313284/step Wall: 12778.5, 0.00313284/step, 0.849348 hours remaining, 241.378906 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: 4024000 3903.2022 20507.3550 14511.1738 240.8908 -203513.6664 2942.0346 0.0000 0.0000 52095.6945 -109313.3156 299.3947 -161409.0101 -108959.4486 299.2357 33.0725 69.6837 761521.3182 -0.5121 -0.3808 PRESSURE: 4024200 -240.477 -162.185 123.284 -162.185 -119.027 19.6182 123.284 19.618 -7.91481 GPRESSURE: 4024200 -186.485 -281.49 219.707 -130.411 -37.0137 31.0972 190.564 146.443 -46.9215 PRESSAVG: 4024200 62.9244 -40.999 11.8286 -40.999 -39.1613 -53.702 11.8286 -53.7019 6.62326 GPRESSAVG: 4024200 61.8463 -42.3345 13.0843 -41.0503 -37.8883 -54.8929 13.5736 -52.3571 6.73893 TIMING: 4024200 CPU: 12779.1, 0.00314168/step Wall: 12779.1, 0.00314168/step, 0.85157 hours remaining, 241.378906 MB of memory in use. ENERGY: 4024200 3988.8180 20484.3981 14490.6755 234.7127 -203207.3401 2374.5178 0.0000 0.0000 51996.8010 -109637.4171 298.8263 -161634.2181 -109280.0595 298.8374 -122.4730 -90.1400 762297.3637 10.1288 10.2323 LDB: ============= START OF LOAD BALANCING ============== 12791.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12791.6 LDB: =============== DONE WITH MIGRATION ================ 12791.6 LDB: ============= START OF LOAD BALANCING ============== 12791.9 LDB: Largest compute 7056 load 0.036569 is 18.7% of average load 0.195423 LDB: Average compute 0.004384 is 2.2% of average load 0.195423 LDB: TIME 12791.9 LOAD: AVG 0.195423 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 12791.9 LOAD: AVG 0.195423 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: TIME 12791.9 LOAD: AVG 0.195423 MAX 0.214129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: ============== END OF LOAD BALANCING =============== 12791.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12791.9 PRESSURE: 4024400 334.092 -7.15957 76.5789 -7.15885 -87.5209 -38.7405 76.5784 -38.7396 -185.526 GPRESSURE: 4024400 260.759 -55.5799 -11.0556 -4.42658 -37.6505 52.7693 8.71892 -50.6679 -94.6254 PRESSAVG: 4024400 25.6476 -63.4002 17.8003 -63.4002 -19.2402 37.6959 17.8003 37.696 3.36535 GPRESSAVG: 4024400 26.0776 -61.0933 16.928 -63.8402 -19.7235 37.5445 16.6896 38.1517 3.03896 TIMING: 4024400 CPU: 12779.8, 0.0031936/step Wall: 12779.8, 0.0031936/step, 0.865466 hours remaining, 239.324219 MB of memory in use. ENERGY: 4024400 3828.6696 20496.9276 14452.9074 261.2323 -203450.1904 2542.9496 0.0000 0.0000 52117.2630 -109750.2408 299.5186 -161867.5039 -109384.1792 298.3856 20.3484 42.8277 762410.4097 3.2576 3.1310 PRESSURE: 4024600 -130.892 -88.1149 -40.4995 -88.1144 -54.5322 44.6999 -40.5 44.6994 297.297 GPRESSURE: 4024600 -142.151 -19.2605 45.8611 -49.6804 -4.66096 87.4292 -37.5087 57.8489 329.755 PRESSAVG: 4024600 73.0206 2.18379 -6.3243 2.18378 -54.7731 49.6802 -6.32437 49.6802 -0.455115 GPRESSAVG: 4024600 72.3947 0.378183 -4.26747 4.26766 -55.219 48.4647 -6.04574 50.2749 -0.0473384 TIMING: 4024600 CPU: 12780.4, 0.00311465/step Wall: 12780.4, 0.00311465/step, 0.843897 hours remaining, 239.324219 MB of memory in use. ENERGY: 4024600 3977.5417 20482.3596 14497.0288 218.5500 -203560.2019 2628.1737 0.0000 0.0000 52076.6763 -109679.8717 299.2854 -161756.5480 -109325.2656 298.6350 37.2910 60.9810 761385.5686 5.9308 5.7095 PRESSURE: 4024800 -31.3527 -148.912 116.842 -148.911 77.4286 -327.985 116.842 -327.986 163.392 GPRESSURE: 4024800 6.21249 -70.832 20.3836 -224.571 199.416 -330.741 116.216 -280.88 79.774 PRESSAVG: 4024800 -40.2565 -58.4719 -19.33 -58.4719 -1.78918 7.45548 -19.33 7.45561 15.2673 GPRESSAVG: 4024800 -38.5545 -56.9562 -19.2249 -59.1009 -1.00296 10.9354 -21.5965 6.82655 13.0322 TIMING: 4024800 CPU: 12781, 0.0031248/step Wall: 12781, 0.0031248/step, 0.846475 hours remaining, 239.324219 MB of memory in use. ENERGY: 4024800 3958.1203 20538.9278 14474.1587 245.7488 -203531.4581 2705.6184 0.0000 0.0000 51867.9149 -109740.9691 298.0856 -161608.8840 -109381.9340 298.8906 69.8227 95.1343 762075.3814 -8.9261 -8.8417 PRESSURE: 4025000 -456.127 -50.0587 -22.3481 -50.0598 -430.159 -45.8219 -22.3482 -45.8227 -90.5757 GPRESSURE: 4025000 -354.325 -41.4479 -11.3747 -34.8177 -516.163 -26.6407 -3.6952 -141.027 -30.22 PRESSAVG: 4025000 10.4424 -72.3634 21.476 -72.3634 -19.6253 -65.0281 21.476 -65.0282 -4.31719 GPRESSAVG: 4025000 8.69375 -73.2904 20.6637 -70.9608 -19.9418 -66.3081 22.2062 -65.1341 -2.33299 TIMING: 4025000 CPU: 12781.6, 0.00314254/step Wall: 12781.6, 0.00314254/step, 0.851105 hours remaining, 239.324219 MB of memory in use. ENERGY: 4025000 3995.1016 20398.4660 14450.6967 232.8025 -202971.0537 2153.5599 0.0000 0.0000 52200.5022 -109539.9247 299.9970 -161740.4269 -109176.5103 298.4177 -325.6207 -300.2360 761720.9723 -4.5000 -4.5270 PRESSURE: 4025200 -334.409 142.581 33.8276 142.58 174.488 72.2506 33.8284 72.2507 -140.193 GPRESSURE: 4025200 -183.617 90.282 53.8538 82.8814 103.954 -23.2194 41.4443 162.746 -153.642 PRESSAVG: 4025200 -33.6255 -46.0381 1.10856 -46.0381 66.5506 7.46879 1.10856 7.4688 26.2518 GPRESSAVG: 4025200 -33.7426 -46.1282 0.88475 -46.9575 65.3067 5.59002 4.118 7.10191 27.1221 TIMING: 4025200 CPU: 12782.3, 0.00313375/step Wall: 12782.3, 0.00313375/step, 0.848549 hours remaining, 239.324219 MB of memory in use. ENERGY: 4025200 3969.5551 20437.2448 14468.2514 252.5086 -203435.5543 2676.7527 0.0000 0.0000 52147.6120 -109483.6297 299.6930 -161631.2417 -109112.9386 299.2921 -100.0380 -77.7681 761068.6813 19.7256 19.5621 PRESSURE: 4025400 -526.727 97.4225 158.646 97.4222 -207.008 81.0746 158.645 81.0753 -142.844 GPRESSURE: 4025400 -483.205 -4.25848 191.802 164.842 -101.837 115.054 77.328 48.8329 -190.138 PRESSAVG: 4025400 48.188 -37.0919 -43.6082 -37.092 -17.9113 -34.2096 -43.6082 -34.2097 2.32747 GPRESSAVG: 4025400 48.3336 -38.116 -42.5235 -38.3937 -17.7774 -32.2413 -47.2431 -35.0826 1.68205 TIMING: 4025400 CPU: 12782.9, 0.00314229/step Wall: 12782.9, 0.00314229/step, 0.850687 hours remaining, 239.324219 MB of memory in use. ENERGY: 4025400 3976.3073 20332.4466 14524.8157 246.2155 -203075.9959 2499.5167 0.0000 0.0000 51942.1885 -109554.5057 298.5125 -161496.6942 -109187.5990 299.0085 -292.1928 -258.3934 762923.8717 10.8681 10.7461 PRESSURE: 4025600 -474.578 -122.059 53.7383 -122.06 -328.379 -171.55 53.7384 -171.55 -549.286 GPRESSURE: 4025600 -407.358 39.0024 147.452 -196.335 -270.056 -171.529 113.066 -53.228 -573.168 PRESSAVG: 4025600 -6.33396 -3.4854 26.0123 -3.48542 9.03975 -32.0441 26.0123 -32.0442 -6.13493 GPRESSAVG: 4025600 -6.81155 -2.65161 26.1283 -1.39166 9.65172 -33.7839 27.0908 -31.339 -5.94594 TIMING: 4025600 CPU: 12783.5, 0.00316349/step Wall: 12783.5, 0.00316349/step, 0.856251 hours remaining, 239.324219 MB of memory in use. ENERGY: 4025600 3971.8583 20579.6775 14473.3670 242.8806 -202970.9902 2266.9189 0.0000 0.0000 52026.8299 -109409.4580 298.9989 -161436.2879 -109050.9672 299.1965 -450.7477 -416.8608 762496.0674 -1.1430 -1.0353 PRESSURE: 4025800 -110.112 -41.2225 -86.6374 -41.2226 102.956 -4.37018 -86.6366 -4.3701 357.167 GPRESSURE: 4025800 -50.0822 100.836 -102.143 -41.2604 173.448 40.1751 -10.203 8.77412 291.033 PRESSAVG: 4025800 -4.65078 -51.8963 -44.8574 -51.8963 -32.4748 -36.5321 -44.8574 -36.5322 -3.9067 GPRESSAVG: 4025800 -3.85645 -48.7824 -46.1809 -54.2447 -33.4778 -35.2435 -44.3295 -36.851 -3.7476 TIMING: 4025800 CPU: 12784.2, 0.00315813/step Wall: 12784.2, 0.00315813/step, 0.854625 hours remaining, 239.324219 MB of memory in use. ENERGY: 4025800 3988.0044 20504.6367 14477.1375 253.0799 -203767.0669 3002.8430 0.0000 0.0000 52098.0455 -109443.3200 299.4082 -161541.3655 -109079.2704 298.8827 116.6701 138.1329 760550.7177 -13.6774 -13.6939 PRESSURE: 4026000 70.1164 90.7683 173.065 90.7681 88.0405 -11.6472 173.065 -11.6489 229.484 GPRESSURE: 4026000 93.1688 38.309 192.277 61.3034 67.0675 -104.021 149.945 77.4066 323.8 PRESSAVG: 4026000 -16.2506 -10.5375 2.5967 -10.5375 2.99003 12.2019 2.59665 12.2019 8.4346 GPRESSAVG: 4026000 -16.5863 -12.8074 3.78106 -10.3356 3.43907 11.2641 2.16175 12.1212 8.3756 TIMING: 4026000 CPU: 12784.8, 0.00318262/step Wall: 12784.8, 0.00318262/step, 0.861075 hours remaining, 239.324219 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: 4026000 3945.4794 20640.1510 14478.3431 244.6717 -203443.8115 2529.7626 0.0000 0.0000 52108.4388 -109496.9648 299.4679 -161605.4036 -109137.4335 299.2666 129.2137 161.3454 762181.5463 -1.6086 -1.5905 PRESSURE: 4026200 -166.276 -56.2743 218.858 -56.2742 -273.105 -56.8877 218.858 -56.8871 -209.783 GPRESSURE: 4026200 -167.172 -51.7659 192.111 60.5086 -142.283 -39.8064 221.095 -19.8084 -280.412 PRESSAVG: 4026200 -25.9081 -2.6985 -27.7921 -2.69851 48.8526 -1.81979 -27.7922 -1.81974 8.54296 GPRESSAVG: 4026200 -26.4312 -3.57801 -28.3315 -1.6309 49.3725 -1.96146 -28.4642 1.51805 8.53148 TIMING: 4026200 CPU: 12785.4, 0.00315278/step Wall: 12785.4, 0.00315278/step, 0.852827 hours remaining, 239.324219 MB of memory in use. ENERGY: 4026200 3918.3940 20687.6958 14427.3592 233.0209 -203414.2978 2482.9144 0.0000 0.0000 52038.2218 -109626.6916 299.0644 -161664.9135 -109267.1605 298.8910 -216.3879 -196.6226 762624.2759 10.4958 10.4909 PRESSURE: 4026400 13.8164 -96.8673 60.9874 -96.8668 -135.119 -110.272 60.9871 -110.271 -115.139 GPRESSURE: 4026400 146.274 -93.2985 133.059 66.705 -194.781 -118.768 214.937 -107.996 -96.6854 PRESSAVG: 4026400 15.2739 -20.9787 21.8571 -20.9787 -59.9467 30.6868 21.8571 30.6869 2.50258 GPRESSAVG: 4026400 16.4556 -18.9357 21.5699 -23.4001 -61.3787 31.2659 22.6118 28.9926 2.67921 TIMING: 4026400 CPU: 12786.1, 0.0031634/step Wall: 12786.1, 0.0031634/step, 0.855525 hours remaining, 239.324219 MB of memory in use. ENERGY: 4026400 3957.9090 20722.1506 14448.7615 249.8813 -203395.6120 2503.9914 0.0000 0.0000 51947.7564 -109565.1619 298.5445 -161512.9183 -109208.8316 298.9327 -78.8138 -48.3975 762162.0293 -14.0567 -14.0813 PRESSURE: 4026600 -104.032 -79.2129 201.517 -79.213 215.361 164.518 201.517 164.518 156.067 GPRESSURE: 4026600 -50.6656 -93.0728 242.986 -80.7452 293.612 191.814 220.499 48.2683 115.162 PRESSAVG: 4026600 40.7374 -18.76 2.59491 -18.76 -7.18121 -15.5663 2.59491 -15.5663 0.300674 GPRESSAVG: 4026600 40.5998 -19.3692 3.2643 -17.3366 -7.18489 -15.2832 1.44379 -17.6157 0.901344 TIMING: 4026600 CPU: 12786.7, 0.00314952/step Wall: 12786.7, 0.00314952/step, 0.851596 hours remaining, 239.324219 MB of memory in use. ENERGY: 4026600 3978.0199 20543.8270 14436.7234 239.2956 -203296.8064 2623.5245 0.0000 0.0000 52024.3404 -109451.0756 298.9846 -161475.4160 -109087.8499 299.1539 89.1321 119.3696 762269.7967 11.2856 11.4388 PRESSURE: 4026800 -341.406 -36.3704 -307.365 -36.37 -261.301 -81.8496 -307.365 -81.849 -143.314 GPRESSURE: 4026800 -347.951 -48.704 -279.803 -15.1485 -241.928 -54.5289 -203.816 -130.473 -58.8045 PRESSAVG: 4026800 42.0128 -25.6168 38.4954 -25.6167 -37.872 28.8887 38.4954 28.8887 -4.57299 GPRESSAVG: 4026800 41.6233 -25.8757 38.2334 -26.5583 -37.2512 28.1852 38.3123 29.1886 -4.92289 TIMING: 4026800 CPU: 12787.3, 0.0031531/step Wall: 12787.3, 0.0031531/step, 0.852389 hours remaining, 239.324219 MB of memory in use. ENERGY: 4026800 3949.0574 20468.8454 14483.3505 248.0263 -203252.7126 2329.6827 0.0000 0.0000 52091.4600 -109682.2902 299.3703 -161773.7503 -109323.6668 299.1961 -248.6738 -216.2280 761203.0124 -0.1441 -0.1836 PRESSURE: 4027000 -3.29807 98.46 -10.2297 98.4597 103.674 348.09 -10.23 348.092 135.41 GPRESSURE: 4027000 -35.9594 46.637 8.19352 160.473 189.808 321.788 -110.955 254.591 171.875 PRESSAVG: 4027000 83.2418 -0.247227 4.55439 -0.247177 -60.5281 -13.415 4.55434 -13.415 -9.97761 GPRESSAVG: 4027000 83.6682 -0.448772 4.80394 1.88312 -60.3746 -14.3651 5.87298 -13.3195 -10.8299 TIMING: 4027000 CPU: 12788, 0.00314531/step Wall: 12788, 0.00314531/step, 0.850108 hours remaining, 239.324219 MB of memory in use. ENERGY: 4027000 3937.7141 20505.5855 14404.3850 246.2423 -203454.4465 2710.2164 0.0000 0.0000 52180.1041 -109470.1991 299.8798 -161650.3032 -109101.0717 299.4041 78.5953 108.5743 762350.7960 4.2454 4.1545 PRESSURE: 4027200 -303.616 -186.732 -70.9442 -186.731 -61.51 -25.5824 -70.9451 -25.5812 -199.975 GPRESSURE: 4027200 -175.767 -227.153 40.1668 -171.926 -38.6369 -11.4181 -41.4957 -68.4581 -275.886 PRESSAVG: 4027200 22.7814 -25.9148 -8.05269 -25.9148 -34.561 -21.2716 -8.05266 -21.2716 -6.9178 GPRESSAVG: 4027200 23.1119 -27.6756 -9.22531 -24.9494 -35.2889 -18.9616 -7.86527 -19.4384 -6.32202 TIMING: 4027200 CPU: 12788.6, 0.00313525/step Wall: 12788.6, 0.00313525/step, 0.847214 hours remaining, 239.324219 MB of memory in use. ENERGY: 4027200 3934.3088 20484.3590 14478.3792 237.9195 -203136.5673 2233.4115 0.0000 0.0000 52121.4929 -109646.6964 299.5429 -161768.1893 -109280.6069 299.3455 -188.3670 -163.4298 761612.8829 -6.2324 -6.1664 PRESSURE: 4027400 396.651 105.023 -162.093 105.022 141.397 67.8843 -162.093 67.8838 260.334 GPRESSURE: 4027400 326.405 132.432 -131.3 142.257 245.621 41.0858 -210.957 160.659 313.582 PRESSAVG: 4027400 27.1921 -36.7757 -42.7602 -36.7757 -39.7023 -33.9028 -42.7602 -33.9028 -3.20774 GPRESSAVG: 4027400 26.4859 -35.5038 -42.0836 -37.1522 -39.5786 -35.0349 -43.8314 -34.9936 -3.05717 TIMING: 4027400 CPU: 12789.2, 0.00316368/step Wall: 12789.2, 0.00316368/step, 0.85472 hours remaining, 239.324219 MB of memory in use. ENERGY: 4027400 3970.8413 20396.8628 14515.9566 239.6291 -203661.3736 2918.8530 0.0000 0.0000 51829.3847 -109789.8459 297.8642 -161619.2307 -109437.6633 298.4832 266.1275 295.2025 761539.7417 -5.2393 -5.3833 PRESSURE: 4027600 217.893 42.1398 23.9182 42.1397 38.5372 -33.3621 23.9179 -33.3627 119.003 GPRESSURE: 4027600 265.05 -43.9909 13.0629 166.78 53.9382 -92.6808 70.7948 67.2366 164.629 PRESSAVG: 4027600 37.812 22.2463 77.5563 22.2464 -43.3142 -8.16465 77.5563 -8.16461 -28.3268 GPRESSAVG: 4027600 37.8579 20.7229 78.0096 20.0891 -43.5331 -9.12019 78.1994 -6.41407 -28.02 TIMING: 4027600 CPU: 12789.8, 0.00312804/step Wall: 12789.8, 0.00312804/step, 0.844918 hours remaining, 239.324219 MB of memory in use. ENERGY: 4027600 3881.1728 20372.3326 14511.6128 240.3192 -203068.0623 2519.0279 0.0000 0.0000 51795.7459 -109747.8512 297.6709 -161543.5971 -109384.1737 298.2676 125.1443 161.2058 760592.5166 -11.2763 -11.2317 PRESSURE: 4027800 98.9755 63.1373 0.197002 63.1368 -10.7584 -18.0592 0.197223 -18.0599 -291.87 GPRESSURE: 4027800 111.935 177.252 -40.7946 77.0882 26.3961 -84.9678 -2.10965 10.7628 -268.091 PRESSAVG: 4027800 12.0302 -22.1779 36.5476 -22.1779 -17.9521 -15.9398 36.5477 -15.9398 -6.44904 GPRESSAVG: 4027800 13.0332 -19.5867 35.9652 -21.2937 -18.2279 -16.368 38.6834 -16.2547 -7.11603 TIMING: 4027800 CPU: 12790.5, 0.00313599/step Wall: 12790.5, 0.00313599/step, 0.846893 hours remaining, 239.324219 MB of memory in use. ENERGY: 4027800 3999.0841 20456.2273 14472.4286 258.4918 -203538.6408 2714.0779 0.0000 0.0000 51800.9956 -109837.3355 297.7010 -161638.3311 -109478.2785 298.3846 -67.8842 -43.2532 760665.5225 -4.1236 -4.1036 PRESSURE: 4028000 -105.213 -34.6344 153.058 -34.6348 -265.542 82.7923 153.057 82.793 -165.061 GPRESSURE: 4028000 -44.6433 -46.8576 195.051 -31.1502 -242.912 105.536 81.5079 277.369 -168.411 PRESSAVG: 4028000 56.3588 15.4771 24.2073 15.4771 -35.21 18.6493 24.2074 18.6492 15.2637 GPRESSAVG: 4028000 55.3341 13.5247 24.0516 13.8189 -34.5772 16.8837 21.9874 18.5869 15.9693 TIMING: 4028000 CPU: 12791.1, 0.00313129/step Wall: 12791.1, 0.00313129/step, 0.845447 hours remaining, 239.324219 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: 4028000 3963.2244 20543.8013 14476.7474 251.1447 -203538.6437 2416.4090 0.0000 0.0000 52033.3718 -109853.9450 299.0365 -161887.3168 -109499.4949 298.5323 -178.6055 -151.9888 762017.4565 12.1375 12.2421 PRESSURE: 4028200 269.861 -40.2247 191.338 -40.225 112.859 90.056 191.338 90.0557 84.094 GPRESSURE: 4028200 322.396 -13.2337 106.861 -116.688 80.6998 51.0461 262.112 120.591 141.972 PRESSAVG: 4028200 5.98773 2.46427 33.2297 2.46427 -10.5692 43.0728 33.2297 43.0728 -3.37057 GPRESSAVG: 4028200 7.31838 2.09927 34.1265 3.14331 -11.0304 46.8787 32.6909 39.5324 -3.52894 TIMING: 4028200 CPU: 12791.7, 0.00315607/step Wall: 12791.7, 0.00315607/step, 0.851964 hours remaining, 239.324219 MB of memory in use. ENERGY: 4028200 3974.7728 20356.4581 14458.0151 239.8247 -203709.3044 2762.3724 0.0000 0.0000 52170.7442 -109747.1171 299.8260 -161917.8614 -109388.6498 298.3932 155.6046 181.6893 761676.9694 -2.6507 -2.4137 LDB: ============= START OF LOAD BALANCING ============== 12804.2 LDB: ============== END OF LOAD BALANCING =============== 12804.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12804.2 LDB: ============= START OF LOAD BALANCING ============== 12804.5 LDB: Largest compute 7056 load 0.035154 is 18.0% of average load 0.195481 LDB: Average compute 0.004385 is 2.2% of average load 0.195481 LDB: TIME 12804.5 LOAD: AVG 0.195481 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 12804.5 LOAD: AVG 0.195481 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: TIME 12804.5 LOAD: AVG 0.195481 MAX 0.214709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.191 MB LDB: ============== END OF LOAD BALANCING =============== 12804.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12804.5 PRESSURE: 4028400 102.442 -133.85 14.642 -133.849 218.637 -84.5313 14.642 -84.5315 -80.3326 GPRESSURE: 4028400 162.391 -117.587 124.709 -158.432 244.377 -72.0541 -84.5142 -190.188 -74.8135 PRESSAVG: 4028400 26.5168 -15.912 -13.3396 -15.912 47.015 -5.64663 -13.3396 -5.6465 28.8289 GPRESSAVG: 4028400 26.289 -12.9149 -13.87 -14.7087 47.8797 -6.88595 -12.3095 -2.86505 28.294 TIMING: 4028400 CPU: 12792.4, 0.00322777/step Wall: 12792.4, 0.00322777/step, 0.871138 hours remaining, 240.406250 MB of memory in use. ENERGY: 4028400 4011.6510 20643.1572 14477.3170 262.7340 -203790.1040 2808.7195 0.0000 0.0000 51777.5935 -109808.9318 297.5665 -161586.5253 -109462.6458 298.5881 80.2490 110.6516 760886.0094 34.1202 34.1542 PRESSURE: 4028600 -89.3071 204.043 65.776 204.042 63.825 -254.822 65.7758 -254.823 -18.1118 GPRESSURE: 4028600 -5.4812 168.745 77.9737 68.9769 87.1685 -218.723 89.8865 -263.147 -40.2286 PRESSAVG: 4028600 -24.5111 44.1916 52.6418 44.1916 3.05042 -52.9433 52.6418 -52.9433 -7.6176 GPRESSAVG: 4028600 -24.9 41.2524 53.6968 42.9409 2.49808 -52.3073 51.631 -52.3466 -6.8204 TIMING: 4028600 CPU: 12793, 0.00313492/step Wall: 12793, 0.00313492/step, 0.845905 hours remaining, 240.406250 MB of memory in use. ENERGY: 4028600 4023.1894 20396.4552 14404.6611 258.7838 -203394.1297 2529.6202 0.0000 0.0000 52048.9639 -109732.4562 299.1261 -161781.4201 -109377.1982 298.3746 -14.5313 13.8196 761205.6085 -9.6928 -9.7408 PRESSURE: 4028800 -38.1395 -11.9341 37.2796 -11.9334 -262.233 243.781 37.2803 243.781 -264.261 GPRESSURE: 4028800 2.38208 -37.8467 5.46606 28.0554 -278.839 255.001 52.9048 379.948 -194.191 PRESSAVG: 4028800 45.2455 -2.49274 35.191 -2.4927 -31.7561 -21.0908 35.1911 -21.0907 21.7867 GPRESSAVG: 4028800 44.3092 -1.2504 33.5445 -2.0721 -31.1985 -22.0369 37.6284 -19.5199 22.7347 TIMING: 4028800 CPU: 12793.6, 0.00312233/step Wall: 12793.6, 0.00312233/step, 0.842336 hours remaining, 240.406250 MB of memory in use. ENERGY: 4028800 3948.5577 20360.2998 14513.4852 252.0408 -203068.6857 2093.1192 0.0000 0.0000 52245.8697 -109655.3133 300.2577 -161901.1830 -109291.3523 298.9780 -188.2113 -156.8827 761690.2474 11.7587 11.9485 PRESSURE: 4029000 -350.625 19.9288 354.441 19.9287 -271.011 -136.084 354.441 -136.086 12.511 GPRESSURE: 4029000 -260.135 110.158 322.063 10.3339 -331.009 -107.848 152.526 -124.36 67.1424 PRESSAVG: 4029000 47.195 -81.6263 58.2949 -81.6264 5.78801 9.15465 58.2949 9.15471 12.7541 GPRESSAVG: 4029000 48.7549 -82.0355 59.6515 -79.8519 6.182 9.73973 56.3587 5.98963 10.3175 TIMING: 4029000 CPU: 12794.2, 0.00313419/step Wall: 12794.2, 0.00313419/step, 0.845362 hours remaining, 240.406250 MB of memory in use. ENERGY: 4029000 3974.5644 20715.0116 14411.4020 241.5614 -203433.3882 2436.0428 0.0000 0.0000 52169.7551 -109485.0508 299.8203 -161654.8059 -109120.2168 299.0726 -203.0415 -174.6670 762356.6205 21.9124 21.7515 PRESSURE: 4029200 217.135 -56.5046 35.5726 -56.5049 320.537 -39.0033 35.572 -39.0027 -1.3058 GPRESSURE: 4029200 355.79 -86.7944 50.7841 -95.0161 240.797 -13.3991 67.7815 -34.7636 33.2425 PRESSAVG: 4029200 16.8068 -10.2606 55.9019 -10.2606 -22.6285 -36.5077 55.9018 -36.5076 15.1974 GPRESSAVG: 4029200 16.2711 -9.95869 55.2957 -11.0836 -23.8407 -36.8557 55.342 -34.1275 17.0218 TIMING: 4029200 CPU: 12794.9, 0.00314132/step Wall: 12794.9, 0.00314132/step, 0.84711 hours remaining, 240.406250 MB of memory in use. ENERGY: 4029200 3988.7315 20479.1140 14393.5730 243.1955 -203292.4241 2456.8274 0.0000 0.0000 52057.1270 -109673.8557 299.1730 -161730.9828 -109311.9212 299.4553 178.7885 209.9432 760132.2043 3.1252 3.1507 PRESSURE: 4029400 342.99 -93.3931 -90.5824 -93.3931 219.163 -88.715 -90.5829 -88.716 -397.824 GPRESSURE: 4029400 361.681 -121.083 -105.456 1.59563 208.892 -57.5382 -44.3074 -47.4833 -315.885 PRESSAVG: 4029400 38.536 11.2264 -32.8336 11.2264 -42.9818 23.2176 -32.8337 23.2176 -2.51 GPRESSAVG: 4029400 39.4807 10.3196 -32.2013 10.1786 -42.011 23.1947 -31.199 21.7078 -4.24389 TIMING: 4029400 CPU: 12795.5, 0.00312481/step Wall: 12795.5, 0.00312481/step, 0.842485 hours remaining, 240.406250 MB of memory in use. ENERGY: 4029400 3918.4452 20524.7045 14393.1158 235.0300 -203415.5837 2583.2768 0.0000 0.0000 52151.2392 -109609.7722 299.7139 -161761.0114 -109244.3808 299.0996 54.7765 84.8960 760918.1803 -2.3186 -2.2581 PRESSURE: 4029600 205.003 34.8161 72.4648 34.8178 319.267 3.96728 72.4644 3.9671 28.1543 GPRESSURE: 4029600 207.642 106.78 69.4805 35.3128 312.188 -20.6997 62.9827 18.8113 119.743 PRESSAVG: 4029600 7.01299 -0.228311 -18.7265 -0.228372 -21.1109 -40.326 -18.7265 -40.326 -10.6083 GPRESSAVG: 4029600 6.05051 -0.404345 -20.652 1.78904 -20.0984 -38.0942 -17.9124 -40.4003 -10.2086 TIMING: 4029600 CPU: 12796.1, 0.00316374/step Wall: 12796.1, 0.00316374/step, 0.852804 hours remaining, 240.406250 MB of memory in use. ENERGY: 4029600 3955.3590 20413.9905 14389.7957 228.9433 -203782.1591 3032.1576 0.0000 0.0000 51938.7831 -109823.1299 298.4929 -161761.9129 -109458.6594 299.3032 184.1416 213.1908 760996.8388 -8.2354 -8.0855 PRESSURE: 4029800 57.0448 -70.4972 48.1185 -70.4973 177.158 -56.8203 48.1195 -56.8208 100.468 GPRESSURE: 4029800 123.486 68.5091 69.1458 -114.489 179.732 -126.709 -29.5575 -53.2625 114.21 PRESSAVG: 4029800 20.5478 28.1466 -10.486 28.1466 -0.201131 -20.3538 -10.486 -20.3538 14.8793 GPRESSAVG: 4029800 21.7009 30.2229 -11.9006 26.0012 -1.05764 -22.7095 -9.94967 -18.9563 15.4152 TIMING: 4029800 CPU: 12796.8, 0.00311767/step Wall: 12796.8, 0.00311767/step, 0.840212 hours remaining, 240.406250 MB of memory in use. ENERGY: 4029800 3976.5948 20384.1590 14472.5587 235.4562 -203883.3822 2957.0478 0.0000 0.0000 52038.2326 -109819.3331 299.0644 -161857.5657 -109467.7017 298.7071 111.5570 139.1431 761190.2213 11.7420 12.0195 PRESSURE: 4030000 -453.743 10.3173 70.2132 10.3172 -89.4126 250.122 70.2122 250.121 -433.025 GPRESSURE: 4030000 -360.533 -2.92551 85.831 -57.6934 -144.027 323.862 -38.5556 96.6833 -411.755 PRESSAVG: 4030000 5.47593 -32.2799 -28.2948 -32.28 23.9333 11.0419 -28.2948 11.0418 -3.98857 GPRESSAVG: 4030000 4.30409 -34.0944 -26.9913 -31.9518 23.9967 11.9202 -29.2904 8.97306 -3.15764 TIMING: 4030000 CPU: 12797.4, 0.0031218/step Wall: 12797.4, 0.00312181/step, 0.841153 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4030000 3961.5657 20472.0616 14427.3916 237.0732 -202740.9690 1947.6565 0.0000 0.0000 51924.7255 -109770.4948 298.4121 -161695.2203 -109410.5358 298.5590 -325.3935 -305.4385 761523.8723 8.4735 8.3811 PRESSURE: 4030200 160.835 -36.2049 -273.767 -36.2053 -125.692 -102.252 -273.767 -102.252 -259.365 GPRESSURE: 4030200 167.683 -11.544 -209.425 15.6312 -12.2994 -67.0019 -259.367 38.9038 -281.937 PRESSAVG: 4030200 -0.91727 -43.9467 -59.9421 -43.9468 4.85057 24.9681 -59.9421 24.9681 -13.6568 GPRESSAVG: 4030200 -1.05764 -43.9772 -57.9877 -42.4615 6.01726 23.7964 -61.2369 28.2233 -14.4178 TIMING: 4030200 CPU: 12798, 0.00312494/step Wall: 12798, 0.00312494/step, 0.841824 hours remaining, 240.406250 MB of memory in use. ENERGY: 4030200 3954.4455 20450.9892 14431.5445 232.6833 -203899.0989 2797.5289 0.0000 0.0000 52175.6288 -109856.2787 299.8541 -162031.9074 -109502.1855 298.0521 -74.7406 -42.1843 758934.7688 -3.2412 -3.1527 PRESSURE: 4030400 -89.9914 -158.846 -42.2423 -158.846 -333.76 -33.1022 -42.2417 -33.1019 -42.8394 GPRESSURE: 4030400 -10.1746 -60.5249 -99.398 -29.3014 -290.936 -2.62799 63.9591 18.1599 -68.3521 PRESSAVG: 4030400 13.6925 17.4381 -13.4241 17.4381 -46.8796 -55.1948 -13.4241 -55.1948 -26.7414 GPRESSAVG: 4030400 13.2125 18.6657 -15.0088 17.0902 -46.1821 -54.8088 -10.7468 -53.529 -26.6388 TIMING: 4030400 CPU: 12798.6, 0.00313545/step Wall: 12798.6, 0.00313545/step, 0.844481 hours remaining, 240.406250 MB of memory in use. ENERGY: 4030400 4003.6683 20571.0666 14420.2200 251.0119 -203229.7406 2419.1689 0.0000 0.0000 51833.1250 -109731.4799 297.8857 -161564.6049 -109372.8218 299.0416 -155.5302 -123.1542 760542.8407 -19.9762 -19.8695 PRESSURE: 4030600 118.301 100.207 341.706 100.207 398.483 115.348 341.706 115.347 158.763 GPRESSURE: 4030600 118.692 159.537 284.955 -0.732541 416.009 53.4778 245.575 197.906 226.042 PRESSAVG: 4030600 -45.0217 24.3047 -23.0045 24.3047 23.2818 20.8523 -23.0044 20.8522 4.97715 GPRESSAVG: 4030600 -42.7453 24.7716 -23.4135 22.9059 21.3523 19.6288 -22.5405 17.9691 5.0894 TIMING: 4030600 CPU: 12799.3, 0.00312785/step Wall: 12799.3, 0.00312785/step, 0.842261 hours remaining, 240.406250 MB of memory in use. ENERGY: 4030600 3926.4159 20384.7229 14459.7540 242.7456 -203443.4291 2615.8529 0.0000 0.0000 52027.6996 -109786.2382 299.0039 -161813.9378 -109413.6235 298.5487 225.1820 253.5809 762062.3733 -5.5876 -5.4345 PRESSURE: 4030800 -326.757 -123.772 -17.4951 -123.772 -55.7927 -188.695 -17.4947 -188.695 162.414 GPRESSURE: 4030800 -279.8 -124.991 -96.9083 -178.818 -29.7001 -243.224 -2.94522 -212.494 175.566 PRESSAVG: 4030800 -20.3551 -2.8724 66.3459 -2.87236 -0.69937 -7.4112 66.3459 -7.4112 3.73972 GPRESSAVG: 4030800 -21.7448 -2.22399 66.8244 -0.568492 1.69927 -6.49925 64.9149 -6.14443 3.084 TIMING: 4030800 CPU: 12799.9, 0.00314157/step Wall: 12799.9, 0.00314157/step, 0.84578 hours remaining, 240.406250 MB of memory in use. ENERGY: 4030800 4008.3618 20364.8119 14402.9315 248.0514 -203450.3153 2522.5839 0.0000 0.0000 52045.5869 -109857.9879 299.1067 -161903.5748 -109498.0442 298.2776 -73.3786 -44.6448 762838.2656 -5.7716 -5.6539 PRESSURE: 4031000 -182.977 150.866 -23.2659 150.866 221.958 95.1112 -23.2661 95.1111 451.042 GPRESSURE: 4031000 -167.433 95.0639 45.5145 86.1879 228.175 163.509 -115.386 99.7993 512.747 PRESSAVG: 4031000 4.88812 25.7241 20.8636 25.7241 -7.17852 7.56845 20.8636 7.56843 18.543 GPRESSAVG: 4031000 5.05056 26.0341 22.782 22.7321 -8.43895 9.18167 22.0892 6.91049 20.0498 TIMING: 4031000 CPU: 12800.5, 0.00312139/step Wall: 12800.5, 0.00312139/step, 0.840173 hours remaining, 240.406250 MB of memory in use. ENERGY: 4031000 3955.2464 20460.8505 14481.8969 251.5519 -203815.0710 2936.9782 0.0000 0.0000 52131.9886 -109596.5585 299.6033 -161728.5470 -109223.1033 298.7282 163.3412 191.1632 762764.0733 5.4175 5.5538 PRESSURE: 4031200 -142.759 -51.1894 17.0142 -51.1881 223.183 189.778 17.0135 189.778 -89.0194 GPRESSURE: 4031200 -97.0796 -103.596 30.4804 28.0396 276.232 150.72 -31.791 344.329 -111.223 PRESSAVG: 4031200 40.4576 -7.6247 55.1503 -7.62469 21.0582 27.601 55.1504 27.6009 8.90429 GPRESSAVG: 4031200 41.2301 -9.71952 53.6284 -7.37853 20.8874 26.381 56.4553 26.8611 8.4982 TIMING: 4031200 CPU: 12801.1, 0.00313169/step Wall: 12801.1, 0.00313169/step, 0.842774 hours remaining, 240.406250 MB of memory in use. ENERGY: 4031200 3944.3931 20415.4378 14402.0057 258.1832 -202928.8932 2454.6085 0.0000 0.0000 52185.5177 -109268.7472 299.9109 -161454.2649 -108903.8726 299.6688 -2.8652 22.6431 761023.3619 23.4733 23.5386 PRESSURE: 4031400 0.20863 -178.393 -229.344 -178.393 -145.97 -96.6944 -229.343 -96.6936 -374.312 GPRESSURE: 4031400 16.0322 -185.208 -170.568 -10.6164 -117.286 -22.8065 -240.082 -157.025 -324.094 PRESSAVG: 4031400 -45.5578 -5.87971 10.6303 -5.87977 15.8943 15.6265 10.6303 15.6264 12.6228 GPRESSAVG: 4031400 -46.012 -6.41292 10.0513 -3.25924 16.5607 15.4078 6.33676 17.8976 12.1666 TIMING: 4031400 CPU: 12801.8, 0.00314906/step Wall: 12801.8, 0.00314907/step, 0.847273 hours remaining, 240.406250 MB of memory in use. ENERGY: 4031400 4038.5383 20369.7993 14413.6524 240.7434 -202840.7748 2239.6135 0.0000 0.0000 52111.5510 -109426.8770 299.4858 -161538.4279 -109054.7167 298.9034 -173.3579 -141.7828 763514.9716 -5.6802 -5.7616 PRESSURE: 4031600 184.461 -91.9056 173.851 -91.9055 155.533 -81.204 173.85 -81.2034 122.786 GPRESSURE: 4031600 280.776 -93.0626 167.673 -150.3 133.085 -48.4874 166.917 -57.8337 147.072 PRESSAVG: 4031600 -8.3317 -8.01235 -48.6406 -8.01237 15.6595 -28.8787 -48.6406 -28.8786 22.8901 GPRESSAVG: 4031600 -6.9678 -6.01344 -49.1903 -10.8879 14.5871 -28.5936 -47.8419 -30.1895 22.3176 TIMING: 4031600 CPU: 12802.4, 0.00314512/step Wall: 12802.4, 0.00314512/step, 0.846038 hours remaining, 240.406250 MB of memory in use. ENERGY: 4031600 3965.3602 20439.3840 14419.1500 246.3512 -202890.9096 2351.8376 0.0000 0.0000 51885.9732 -109582.8534 298.1894 -161468.8266 -109225.7016 299.3619 154.2602 186.9777 762276.5994 10.0726 9.9789 PRESSURE: 4031800 -329.416 122.977 127.475 122.977 35.3659 61.0822 127.475 61.0818 217.713 GPRESSURE: 4031800 -164.488 95.8283 138.486 177.142 19.0621 86.3946 33.7854 64.5295 141.422 PRESSAVG: 4031800 57.8089 -35.7658 45.377 -35.7659 -62.6923 6.84156 45.377 6.84158 -22.9908 GPRESSAVG: 4031800 56.9563 -36.7643 45.6148 -35.4438 -61.9857 7.40806 47.0748 4.82205 -23.0344 TIMING: 4031800 CPU: 12803, 0.00313868/step Wall: 12803, 0.00313868/step, 0.844131 hours remaining, 240.406250 MB of memory in use. ENERGY: 4031800 3869.7619 20453.7215 14421.4993 271.0179 -203144.4645 2404.8753 0.0000 0.0000 52201.1932 -109522.3953 300.0010 -161723.5886 -109154.8975 299.5227 -25.4458 -1.3344 761401.3164 -9.2914 -9.3546 PRESSURE: 4032000 68.0655 -5.62567 100.479 -5.62532 -354.547 23.8135 100.478 23.8132 -214.318 GPRESSURE: 4032000 -11.1435 24.65 134.546 -100.601 -269.093 73.343 209.001 -105.578 -151.296 PRESSAVG: 4032000 15.7305 -33.6647 -8.09178 -33.6648 -23.5843 -19.0673 -8.09176 -19.0674 41.8164 GPRESSAVG: 4032000 15.4808 -32.3452 -7.63933 -34.4256 -23.6572 -20.743 -7.50781 -18.2191 42.1683 TIMING: 4032000 CPU: 12803.7, 0.00313386/step Wall: 12803.7, 0.00313386/step, 0.842661 hours remaining, 240.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4032000 3934.5951 20497.2538 14497.5471 244.1203 -203129.0484 2474.8250 0.0000 0.0000 52061.6493 -109419.0579 299.1990 -161480.7072 -109069.2527 299.2662 -166.9330 -143.8442 761805.5247 11.3209 11.3306 PRESSURE: 4032200 358.535 -95.6291 -106.174 -95.6282 80.1104 29.3443 -106.175 29.3446 251.102 GPRESSURE: 4032200 365.894 -108.769 -182.091 -179.478 158.633 59.6664 -13.8007 -60.4184 234.451 PRESSAVG: 4032200 -11.2303 -30.1561 65.662 -30.1562 -14.2953 -8.56046 65.6619 -8.56038 -11.5989 GPRESSAVG: 4032200 -10.7054 -31.691 64.8051 -29.3238 -14.6911 -7.86485 64.5822 -9.3379 -11.8551 TIMING: 4032200 CPU: 12804.3, 0.00315812/step Wall: 12804.3, 0.00315812/step, 0.849008 hours remaining, 240.406250 MB of memory in use. ENERGY: 4032200 3938.8747 20480.2026 14489.3905 247.4208 -203629.1447 2859.1217 0.0000 0.0000 52192.7188 -109421.4157 299.9523 -161614.1345 -109062.6382 299.2608 229.9160 252.9928 760954.3129 -12.3748 -12.4172 LDB: ============= START OF LOAD BALANCING ============== 12816.7 LDB: ============== END OF LOAD BALANCING =============== 12816.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12816.7 LDB: ============= START OF LOAD BALANCING ============== 12817 LDB: Largest compute 7056 load 0.035579 is 18.2% of average load 0.195456 LDB: Average compute 0.004391 is 2.2% of average load 0.195456 LDB: TIME 12817.1 LOAD: AVG 0.195456 MAX 0.218598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 243.242 MB LDB: TIME 12817.1 LOAD: AVG 0.195456 MAX 0.218598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.242 MB LDB: TIME 12817.1 LOAD: AVG 0.195456 MAX 0.213664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.242 MB LDB: ============== END OF LOAD BALANCING =============== 12817.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12817.1 PRESSURE: 4032400 -7.19601 -152.022 -106.256 -152.021 80.8166 -138.71 -106.257 -138.71 182.519 GPRESSURE: 4032400 37.9189 -101.517 -40.9615 -143.85 125.989 -71.8522 -55.6026 -69.4082 176.273 PRESSAVG: 4032400 34.0067 -16.1518 -6.78046 -16.1518 -26.0851 6.0038 -6.78044 6.00376 -27.5816 GPRESSAVG: 4032400 33.2536 -17.4132 -3.26318 -13.3292 -25.1496 6.13321 -7.39998 5.69255 -27.6234 TIMING: 4032400 CPU: 12804.9, 0.00320004/step Wall: 12804.9, 0.00320004/step, 0.860101 hours remaining, 241.320312 MB of memory in use. ENERGY: 4032400 3978.7247 20606.9209 14436.6154 267.2492 -203453.1410 2427.3991 0.0000 0.0000 52118.1386 -109618.0932 299.5237 -161736.2317 -109261.6669 299.2623 85.3798 113.3937 760275.4273 -6.5533 -6.5065 PRESSURE: 4032600 -213.523 -164.196 -30.0869 -164.197 -142.008 -74.1652 -30.087 -74.1658 -242.783 GPRESSURE: 4032600 -237.866 9.08442 20.9156 -25.3501 -58.9079 -67.4001 -43.9215 -85.1025 -217.344 PRESSAVG: 4032600 -34.016 -11.3652 -4.69446 -11.3653 14.2409 10.3135 -4.69452 10.3135 22.5638 GPRESSAVG: 4032600 -32.8229 -10.6189 -6.75692 -13.5966 13.2823 10.1597 -5.07606 11.784 22.3416 TIMING: 4032600 CPU: 12805.5, 0.00313011/step Wall: 12805.5, 0.00313011/step, 0.84113 hours remaining, 241.320312 MB of memory in use. ENERGY: 4032600 3956.8322 20424.0679 14478.9848 238.9075 -203292.0920 2470.3867 0.0000 0.0000 52012.7318 -109710.1811 298.9179 -161722.9129 -109350.1053 299.1956 -199.4383 -171.3725 761851.0133 0.9296 0.9336 PRESSURE: 4032800 -70.72 139.84 43.4307 139.84 -257.073 -208.295 43.4303 -208.294 -253.541 GPRESSURE: 4032800 -50.6669 54.0809 22.5883 176.23 -201.348 -154.725 149.075 -156.178 -230.746 PRESSAVG: 4032800 27.588 15.5547 -10.2933 15.5548 -17.4148 -47.7365 -10.2933 -47.7365 9.56047 GPRESSAVG: 4032800 27.0699 16.736 -11.1426 15.0627 -17.4425 -46.5038 -8.28793 -48.8165 9.5838 TIMING: 4032800 CPU: 12806.2, 0.00312751/step Wall: 12806.2, 0.00312751/step, 0.840258 hours remaining, 241.320312 MB of memory in use. ENERGY: 4032800 3933.6489 20429.5249 14490.3098 248.4099 -203367.0370 2475.0234 0.0000 0.0000 51904.3141 -109885.8061 298.2948 -161790.1202 -109516.8633 298.8043 -193.7781 -160.9206 760916.4263 6.5779 6.4037 PRESSURE: 4033000 -321.279 -70.7105 124.37 -70.7106 193.062 -30.8199 124.369 -30.8209 -32.8655 GPRESSURE: 4033000 -287.818 -138.954 70.2457 -20.0194 190.248 29.0627 120.41 -121.572 8.95089 PRESSAVG: 4033000 -12.5832 22.1938 -1.50037 22.1938 62.5587 -27.9629 -1.50039 -27.9629 -10.8776 GPRESSAVG: 4033000 -13.0058 22.6918 -0.652774 24.455 62.4422 -29.146 -3.28972 -26.0086 -10.4924 TIMING: 4033000 CPU: 12806.8, 0.00313694/step Wall: 12806.8, 0.00313694/step, 0.842618 hours remaining, 241.320312 MB of memory in use. ENERGY: 4033000 3935.2534 20366.9500 14376.6095 250.0746 -203474.9165 2623.1601 0.0000 0.0000 52029.6178 -109893.2510 299.0149 -161922.8688 -109529.1553 298.0795 -53.6941 -29.5397 761243.8309 13.0326 12.9813 PRESSURE: 4033200 314.821 54.2603 49.8346 54.261 150.174 -150.191 49.8347 -150.191 168.792 GPRESSURE: 4033200 422.3 89.9913 37.7009 43.1411 111.777 -140.129 183.871 -187.885 191.155 PRESSAVG: 4033200 -9.8331 6.56655 64.6403 6.56662 -19.9746 -29.0523 64.6403 -29.0523 1.61279 GPRESSAVG: 4033200 -10.9238 7.96569 64.148 3.4796 -18.2633 -29.1612 64.6546 -30.2706 0.549974 TIMING: 4033200 CPU: 12807.4, 0.0031275/step Wall: 12807.4, 0.0031275/step, 0.839907 hours remaining, 241.320312 MB of memory in use. ENERGY: 4033200 3993.8138 20423.6338 14433.1896 230.9853 -203779.2563 2804.5787 0.0000 0.0000 52020.4728 -109872.5825 298.9624 -161893.0552 -109521.8338 297.9467 211.2623 241.7441 759750.3809 -9.3983 -9.5457 PRESSURE: 4033400 -192.869 -10.6777 -13.5624 -10.6775 -138.105 -134.577 -13.5624 -134.578 -140.264 GPRESSURE: 4033400 -104.012 -71.9313 -18.7775 -224.028 -201.844 -97.5073 -25.7943 -310.876 -86.2329 PRESSAVG: 4033400 4.84331 3.79916 44.3661 3.7992 7.85093 6.1875 44.3661 6.18755 -29.1109 GPRESSAVG: 4033400 5.69616 3.88849 44.4579 3.58952 6.98225 7.52478 44.0869 3.28219 -28.7529 TIMING: 4033400 CPU: 12808.1, 0.00311892/step Wall: 12808.1, 0.00311892/step, 0.837431 hours remaining, 241.320312 MB of memory in use. ENERGY: 4033400 4006.9897 20508.5894 14490.0573 236.5032 -203696.9686 2719.1219 0.0000 0.0000 51765.2336 -109970.4736 297.4955 -161735.7071 -109607.7434 298.3227 -157.0793 -130.6962 762179.9614 -5.4722 -5.3582 PRESSURE: 4033600 96.0646 -196.594 100.632 -196.593 -408.996 275.125 100.633 275.124 -518.102 GPRESSURE: 4033600 111.745 -127.111 94.5307 -141.656 -348.93 260.252 63.3712 221.728 -494.526 PRESSAVG: 4033600 -13.9852 -25.8306 41.2503 -25.8306 -9.46886 33.2549 41.2502 33.255 12.7996 GPRESSAVG: 4033600 -13.561 -28.0511 42.5023 -24.4408 -9.31886 31.8598 40.3144 34.9008 12.3892 TIMING: 4033600 CPU: 12808.7, 0.00313419/step Wall: 12808.7, 0.00313419/step, 0.841356 hours remaining, 241.320312 MB of memory in use. ENERGY: 4033600 3993.9797 20340.2789 14419.8154 271.2680 -203543.0543 2602.0298 0.0000 0.0000 51956.6534 -109959.0291 298.5956 -161915.6825 -109599.1813 298.0902 -277.0114 -243.9040 762351.7251 -3.5515 -3.4969 PRESSURE: 4033800 219.351 16.7625 -140.069 16.7624 108.588 -81.6556 -140.069 -81.6558 -41.2674 GPRESSURE: 4033800 236.393 -2.01337 -202.444 26.6859 233.724 -44.8429 -18.2176 -9.8725 -92.95 PRESSAVG: 4033800 1.88157 5.70975 18.0307 5.70983 -5.29307 64.5665 18.0308 64.5664 -17.5716 GPRESSAVG: 4033800 1.61475 7.43105 17.3032 6.14646 -5.69384 66.9451 20.8612 63.3115 -16.8758 TIMING: 4033800 CPU: 12809.3, 0.00313106/step Wall: 12809.3, 0.00313106/step, 0.840341 hours remaining, 241.320312 MB of memory in use. ENERGY: 4033800 3949.3537 20378.6770 14450.3678 253.4834 -203722.0030 2800.0332 0.0000 0.0000 52055.7669 -109834.3210 299.1652 -161890.0879 -109468.4800 298.0974 95.5570 125.7224 761777.9887 -6.9944 -6.9850 PRESSURE: 4034000 150.999 48.7793 -228.34 48.7794 87.9915 -72.1095 -228.341 -72.1075 -163.099 GPRESSURE: 4034000 265.668 18.9008 -224.42 -9.18891 73.7297 -113.994 -118.447 30.1358 -183.509 PRESSAVG: 4034000 -44.5702 -45.4335 -13.4821 -45.4334 14.2311 -10.9394 -13.4821 -10.9394 9.73726 GPRESSAVG: 4034000 -43.5067 -45.8856 -12.9858 -46.4129 14.5109 -11.8449 -14.3309 -9.27464 9.25436 TIMING: 4034000 CPU: 12809.9, 0.00311955/step Wall: 12809.9, 0.00311955/step, 0.837078 hours remaining, 241.320312 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: 4034000 3981.3595 20420.6186 14508.9446 239.7569 -204033.7110 2995.9537 0.0000 0.0000 51987.6854 -109899.3924 298.7739 -161887.0778 -109537.6423 298.5930 25.2972 51.9629 761018.7641 -6.8673 -6.5805 PRESSURE: 4034200 -112.145 -109.606 -28.8895 -109.606 -70.967 74.7373 -28.8898 74.7368 -136.115 GPRESSURE: 4034200 -11.7795 -105.578 -2.47026 -103.722 -19.8133 99.8603 -67.5023 26.8071 -189.847 PRESSAVG: 4034200 5.73518 -40.1553 53.194 -40.1553 -31.7565 35.1992 53.1939 35.1992 5.72519 GPRESSAVG: 4034200 7.03755 -40.8187 51.7988 -41.0869 -32.1352 33.993 53.6667 35.1687 5.29113 TIMING: 4034200 CPU: 12810.6, 0.00315462/step Wall: 12810.6, 0.00315462/step, 0.846315 hours remaining, 241.320312 MB of memory in use. ENERGY: 4034200 4048.2181 20439.8303 14501.6361 241.9461 -203670.6431 2779.2118 0.0000 0.0000 51880.8086 -109778.9920 298.1597 -161659.8006 -109429.1882 298.4082 -106.4091 -73.8133 760944.9494 -6.7654 -6.6022 PRESSURE: 4034400 -29.8467 131.272 -67.0319 131.272 215.353 135.418 -67.0314 135.418 202.55 GPRESSURE: 4034400 74.5292 162.063 -83.1513 179.958 262.286 236.523 -59.5946 -16.7315 133.749 PRESSAVG: 4034400 -6.90266 -26.3662 -8.83495 -26.3662 1.62582 -11.2784 -8.83495 -11.2784 1.74033 GPRESSAVG: 4034400 -9.21937 -24.8926 -8.59049 -23.4499 2.50389 -11.2218 -6.81912 -11.6563 2.96399 TIMING: 4034400 CPU: 12811.2, 0.00313826/step Wall: 12811.2, 0.00313826/step, 0.841752 hours remaining, 241.320312 MB of memory in use. ENERGY: 4034400 4039.8346 20670.3770 14536.6415 261.5820 -203799.1220 2867.0507 0.0000 0.0000 51559.9424 -109863.6939 296.3157 -161423.6362 -109512.8083 298.6852 129.3523 156.8546 761890.8266 -1.1788 -1.2505 PRESSURE: 4034600 -49.1563 269.198 -7.21172 269.199 96.3407 -243.45 -7.21225 -243.449 -13.2937 GPRESSURE: 4034600 2.67534 94.9503 12.9145 293.769 131.962 -154.725 -147.456 -244.441 -17.2357 PRESSAVG: 4034600 -13.7169 66.3107 -21.1167 66.3108 -18.5353 13.4071 -21.1167 13.407 3.28969 GPRESSAVG: 4034600 -13.7536 65.8335 -20.583 66.7797 -18.142 13.9571 -21.123 13.3156 2.21159 TIMING: 4034600 CPU: 12811.8, 0.00315427/step Wall: 12811.8, 0.00315427/step, 0.845871 hours remaining, 241.320312 MB of memory in use. ENERGY: 4034600 3977.2082 20307.2476 14389.2768 241.5195 -203924.2334 2885.2805 0.0000 0.0000 52248.2449 -109875.4560 300.2714 -162123.7009 -109497.5848 298.7946 11.2969 39.1340 761719.9961 -9.6542 -9.8947 PRESSURE: 4034800 32.934 -55.4926 -125.764 -55.4921 190.227 -276.557 -125.765 -276.557 236.706 GPRESSURE: 4034800 111.286 22.6956 27.7947 -93.97 211.758 -302.484 -126.238 -183.66 233.497 PRESSAVG: 4034800 -2.42707 -0.177926 -40.5512 -0.177957 -35.0732 -45.9056 -40.5512 -45.9056 28.7731 GPRESSAVG: 4034800 -1.44971 -0.632491 -39.5658 -1.81736 -36.526 -45.2422 -46.384 -45.2607 28.7916 TIMING: 4034800 CPU: 12812.4, 0.0031477/step Wall: 12812.4, 0.0031477/step, 0.843934 hours remaining, 241.320312 MB of memory in use. ENERGY: 4034800 3998.9525 20548.4246 14441.6847 237.2722 -203696.7557 2714.0701 0.0000 0.0000 51809.8383 -109946.5133 297.7519 -161756.3517 -109578.4073 298.0674 153.2891 185.5139 762135.7988 -2.9091 -3.0614 PRESSURE: 4035000 -278.529 66.0784 19.9989 66.0783 -86.625 177.518 19.9993 177.519 218.435 GPRESSURE: 4035000 -274.726 30.0497 -27.4237 74.9864 -19.6979 225.231 -136.017 61.2691 214.977 PRESSAVG: 4035000 -4.30994 -23.1862 -20.6986 -23.1862 7.54673 -5.06662 -20.6986 -5.06661 -10.8793 GPRESSAVG: 4035000 -5.28124 -25.7866 -20.8934 -22.7564 8.46544 -4.19023 -17.5499 -4.1736 -10.5821 TIMING: 4035000 CPU: 12813.1, 0.00312802/step Wall: 12813.1, 0.00312801/step, 0.838482 hours remaining, 241.320312 MB of memory in use. ENERGY: 4035000 3902.1111 20669.1536 14504.3528 234.6306 -203680.5413 2482.6180 0.0000 0.0000 52020.7363 -109866.9389 298.9639 -161887.6752 -109504.4922 298.5081 -48.9064 -26.4823 760771.6228 -2.5475 -2.4660 PRESSURE: 4035200 103.299 -180.052 75.1355 -180.052 -217.731 18.0419 75.1356 18.0422 -72.2214 GPRESSURE: 4035200 153.786 -110.771 86.1556 -55.8913 -227.601 33.645 31.6023 -166.625 -48.486 PRESSAVG: 4035200 1.436 -20.0509 -31.8532 -20.0509 19.1822 14.796 -31.8532 14.7959 5.56131 GPRESSAVG: 4035200 0.154988 -18.4198 -32.4823 -19.1933 20.56 13.7136 -30.9143 13.4963 5.67779 TIMING: 4035200 CPU: 12813.7, 0.00315003/step Wall: 12813.7, 0.00315003/step, 0.844208 hours remaining, 241.320312 MB of memory in use. ENERGY: 4035200 4020.3236 20510.5871 14469.4556 253.6579 -203770.1730 2597.5463 0.0000 0.0000 52110.2839 -109808.3184 299.4785 -161918.6024 -109448.8024 298.6652 -62.2177 -40.7670 760596.3981 8.7265 8.7976 PRESSURE: 4035400 -328.325 76.8474 -13.7122 76.8482 -143.687 78.0209 -13.7126 78.0189 -106.141 GPRESSURE: 4035400 -264.396 67.7356 -31.9599 43.5981 -129.212 17.525 32.9764 59.9555 -93.5256 PRESSAVG: 4035400 20.3667 13.7373 1.80105 13.7373 -39.2476 10.9351 1.80113 10.9352 21.3919 GPRESSAVG: 4035400 21.5858 14.5073 3.10988 11.2897 -39.7802 11.3382 2.97524 10.1471 21.6329 TIMING: 4035400 CPU: 12814.3, 0.00315119/step Wall: 12814.3, 0.00315119/step, 0.844344 hours remaining, 241.320312 MB of memory in use. ENERGY: 4035400 4022.1602 20505.9729 14505.4237 255.0578 -203975.0526 2773.7482 0.0000 0.0000 52063.0991 -109849.5908 299.2073 -161912.6898 -109483.5662 298.6692 -192.7177 -162.3777 760877.8989 0.8370 1.1462 PRESSURE: 4035600 -266.156 28.6336 -107.519 28.6336 -113.047 43.4072 -107.519 43.4065 110.031 GPRESSURE: 4035600 -187.355 19.6761 0.75036 -60.5972 -93.8173 81.8635 -57.3964 -41.9863 76.515 PRESSAVG: 4035600 11.9124 -54.4732 -7.93866 -54.4732 -49.4739 48.9449 -7.93873 48.945 16.272 GPRESSAVG: 4035600 13.3116 -53.7833 -8.40109 -54.6038 -51.0744 50.1138 -8.46168 49.9556 15.8632 TIMING: 4035600 CPU: 12815, 0.00314263/step Wall: 12815, 0.00314263/step, 0.841875 hours remaining, 241.320312 MB of memory in use. ENERGY: 4035600 3891.9648 20623.7396 14572.9771 248.2422 -203710.5005 2720.8680 0.0000 0.0000 52035.3045 -109617.4042 299.0476 -161652.7087 -109243.6810 298.5411 -89.7238 -68.2192 762541.4506 -7.0965 -7.2999 PRESSURE: 4035800 61.0476 -54.8351 264.491 -54.8355 255.643 23.9829 264.492 23.9835 -199.155 GPRESSURE: 4035800 112.816 -104.499 297.056 -53.4201 345.388 -8.62174 202.922 12.1246 -240.467 PRESSAVG: 4035800 40.5507 -14.5001 -32.3915 -14.5 -33.798 30.7523 -32.3915 30.7524 17.2441 GPRESSAVG: 4035800 39.3078 -13.3304 -33.2177 -12.6348 -32.9912 28.6203 -33.4439 31.1383 17.7013 TIMING: 4035800 CPU: 12815.6, 0.00313697/step Wall: 12815.6, 0.00313697/step, 0.840185 hours remaining, 241.320312 MB of memory in use. ENERGY: 4035800 4026.0291 20476.2720 14517.2735 244.2346 -203850.8540 2796.1601 0.0000 0.0000 52074.9272 -109715.9573 299.2753 -161790.8845 -109355.5256 299.4795 39.1785 72.5790 759828.1524 7.9989 8.0060 PRESSURE: 4036000 56.5892 133.61 29.4679 133.609 -240.855 -44.0455 29.4677 -44.0445 121.814 GPRESSURE: 4036000 67.0939 7.1092 44.3544 48.3243 -160.233 -69.4474 184.545 35.7527 118.051 PRESSAVG: 4036000 58.1964 -2.28674 25.414 -2.28677 5.27287 29.4086 25.414 29.4086 8.80977 GPRESSAVG: 4036000 57.4134 -6.06316 26.47 -1.92188 6.55216 29.4661 24.4176 30.3534 8.25634 TIMING: 4036000 CPU: 12816.2, 0.00314807/step Wall: 12816.2, 0.00314807/step, 0.842984 hours remaining, 241.320312 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: 4036000 4056.0917 20439.7540 14539.4094 247.0551 -203327.3413 2417.8089 0.0000 0.0000 51858.4755 -109768.7468 298.0314 -161627.2222 -109425.2811 298.7258 -20.8172 8.3040 760907.0105 24.0930 24.0740 PRESSURE: 4036200 -90.7109 94.3662 -287.485 94.3653 -135.982 194.381 -287.485 194.381 -97.4487 GPRESSURE: 4036200 -27.5964 158.986 -262.27 57.5735 -159.564 180.788 -223.214 129.501 -57.8142 PRESSAVG: 4036200 30.9293 -23.086 31.2202 -23.0861 -31.7939 -65.9023 31.2202 -65.9023 -14.4161 GPRESSAVG: 4036200 30.6131 -20.5255 30.4692 -25.1138 -32.7487 -64.736 32.9133 -68.0297 -13.29 TIMING: 4036200 CPU: 12816.8, 0.00315591/step Wall: 12816.8, 0.00315591/step, 0.844907 hours remaining, 241.320312 MB of memory in use. ENERGY: 4036200 3971.3989 20394.2501 14496.0613 253.0333 -203412.1570 2564.9544 0.0000 0.0000 51817.6900 -109914.7691 297.7970 -161732.4590 -109550.7671 298.2191 -108.0472 -81.6584 762829.5552 -5.0936 -5.1418 LDB: ============= START OF LOAD BALANCING ============== 12829.3 LDB: ============== END OF LOAD BALANCING =============== 12829.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12829.3 LDB: ============= START OF LOAD BALANCING ============== 12829.6 LDB: Largest compute 7056 load 0.036773 is 18.8% of average load 0.195370 LDB: Average compute 0.004383 is 2.2% of average load 0.195370 LDB: TIME 12829.6 LOAD: AVG 0.19537 MAX 0.215976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 12829.6 LOAD: AVG 0.19537 MAX 0.215976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: TIME 12829.6 LOAD: AVG 0.19537 MAX 0.215976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.605 MB LDB: ============== END OF LOAD BALANCING =============== 12829.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12829.6 PRESSURE: 4036400 -11.8342 -161.294 -149.368 -161.294 -186.378 84.0764 -149.369 84.0757 -248.778 GPRESSURE: 4036400 -12.2672 -128.955 -110.955 -141.141 -66.1107 118.854 -43.1182 152.448 -278.909 PRESSAVG: 4036400 46.0268 1.97511 24.9051 1.97509 -2.44388 -41.5461 24.9052 -41.5461 0.520756 GPRESSAVG: 4036400 46.2429 1.54762 24.6386 3.20643 -1.91946 -43.6641 28.408 -40.6488 -0.210925 TIMING: 4036400 CPU: 12817.5, 0.00320224/step Wall: 12817.5, 0.00320224/step, 0.857132 hours remaining, 239.632812 MB of memory in use. ENERGY: 4036400 3944.3123 20327.8922 14496.0857 233.6289 -203517.2207 2431.8948 0.0000 0.0000 52203.0649 -109880.3420 300.0117 -162083.4069 -109502.1135 298.6691 -148.9965 -119.0958 761469.8352 14.7012 14.7042 PRESSURE: 4036600 271.099 114.19 -164.601 114.19 224.373 -353.475 -164.601 -353.474 144.443 GPRESSURE: 4036600 313.807 158.149 -140.395 38.8224 220.076 -379.246 -192.96 -307.378 171.472 PRESSAVG: 4036600 -68.7362 3.08188 5.30827 3.08187 32.3 -24.0294 5.30825 -24.0293 -17.8204 GPRESSAVG: 4036600 -67.8449 -0.0702984 6.57414 4.75694 30.9096 -22.7172 1.26175 -23.6431 -17.6888 TIMING: 4036600 CPU: 12818.1, 0.00316233/step Wall: 12818.1, 0.00316233/step, 0.846274 hours remaining, 239.632812 MB of memory in use. ENERGY: 4036600 3978.4906 20471.8440 14558.2125 226.2875 -204054.4675 2930.3495 0.0000 0.0000 51995.6703 -109893.6132 298.8198 -161889.2835 -109543.7715 298.5545 213.3049 235.1183 760461.8971 -18.0855 -18.2080 PRESSURE: 4036800 -283.057 51.3672 -135.622 51.3683 315.337 92.5825 -135.623 92.5832 287.992 GPRESSURE: 4036800 -122.615 -89.0745 -107.436 26.5281 255.409 120.212 -96.0808 38.4764 280.437 PRESSAVG: 4036800 -69.8782 10.4299 -14.078 10.4298 82.9947 -4.6935 -14.078 -4.69356 -18.2057 GPRESSAVG: 4036800 -70.6932 10.8146 -14.2059 8.88865 83.8279 -2.84625 -13.7753 -4.82858 -18.539 TIMING: 4036800 CPU: 12818.8, 0.00316247/step Wall: 12818.8, 0.00316247/step, 0.846135 hours remaining, 239.632812 MB of memory in use. ENERGY: 4036800 3928.4219 20459.8689 14527.1958 252.0487 -203716.8792 2918.4670 0.0000 0.0000 51836.7340 -109794.1429 297.9064 -161630.8769 -109430.9726 298.6611 106.7576 137.7436 761144.0627 -1.6964 -1.8014 PRESSURE: 4037000 -294.19 68.1351 145.737 68.1356 -43.4976 -50.3843 145.738 -50.3839 47.5652 GPRESSURE: 4037000 -223.325 143.139 183.747 54.0713 -6.72878 8.74923 243.544 -14.2902 22.7053 PRESSAVG: 4037000 -6.28096 -12.1005 -29.5072 -12.1005 48.3214 5.48241 -29.5072 5.48246 1.59396 GPRESSAVG: 4037000 -5.19338 -11.3584 -28.9173 -9.84969 47.5185 3.76268 -27.8007 5.14564 1.13672 TIMING: 4037000 CPU: 12819.4, 0.00313988/step Wall: 12819.4, 0.00313987/step, 0.839916 hours remaining, 239.632812 MB of memory in use. ENERGY: 4037000 3990.3074 20434.4251 14461.4100 247.2054 -203422.9808 2672.0446 0.0000 0.0000 51745.3944 -109872.1939 297.3815 -161617.5883 -109510.4028 298.3762 -96.7075 -69.1162 762557.8910 14.5448 14.4873 PRESSURE: 4037200 533.032 -97.35 -52.021 -97.3494 104.199 -69.6089 -52.0204 -69.6085 322.138 GPRESSURE: 4037200 511.437 -82.1271 -12.1623 -76.6699 129.912 -97.1402 -171.642 -169.625 392.058 PRESSAVG: 4037200 -27.5696 0.238854 38.1066 0.238834 11.0084 46.8754 38.1066 46.8754 -9.5049 GPRESSAVG: 4037200 -29.5227 1.01907 39.6383 -2.0169 12.8367 46.1726 36.734 47.6731 -9.70424 TIMING: 4037200 CPU: 12820, 0.00313494/step Wall: 12820, 0.00313494/step, 0.838422 hours remaining, 239.632812 MB of memory in use. ENERGY: 4037200 3981.2731 20595.5097 14422.7969 229.4686 -203642.0964 2672.6318 0.0000 0.0000 51773.7000 -109966.7163 297.5442 -161740.4163 -109612.7828 298.3716 319.7896 344.4689 759554.2684 -8.6887 -8.7967 PRESSURE: 4037400 -348.504 -103.356 25.751 -103.356 -146.382 140.877 25.7506 140.877 -372.868 GPRESSURE: 4037400 -324.403 -107.631 18.346 -147.068 -131.041 70.3175 72.0266 275.049 -316.153 PRESSAVG: 4037400 32.4303 -77.7576 12.7388 -77.7576 -18.8439 -22.9057 12.7388 -22.9058 11.4736 GPRESSAVG: 4037400 33.437 -76.064 10.656 -76.9607 -20.789 -21.0893 13.5788 -23.3184 12.1123 TIMING: 4037400 CPU: 12820.6, 0.00315441/step Wall: 12820.6, 0.00315441/step, 0.843453 hours remaining, 239.632812 MB of memory in use. ENERGY: 4037400 3959.8869 20452.8617 14394.1406 241.4397 -203383.5360 2456.5971 0.0000 0.0000 51804.2823 -110074.3276 297.7199 -161878.6099 -109709.9134 297.7606 -289.2514 -257.1988 760820.0182 8.3533 8.2534 PRESSURE: 4037600 -249.363 99.998 293.858 99.9977 39.1605 -265.856 293.859 -265.856 -295.667 GPRESSURE: 4037600 -216.376 52.1918 311.315 -30.7303 -26.9235 -331.14 244.701 -56.8318 -181.446 PRESSAVG: 4037600 2.01713 1.08779 29.3956 1.08786 -4.19245 -4.58528 29.3957 -4.58533 16.5538 GPRESSAVG: 4037600 1.68145 -0.00144638 30.4243 0.0752634 -2.92253 -5.87856 28.8371 -3.15249 16.7442 TIMING: 4037600 CPU: 12821.3, 0.00314594/step Wall: 12821.3, 0.00314595/step, 0.841016 hours remaining, 239.632812 MB of memory in use. ENERGY: 4037600 4059.3824 20469.0370 14385.5555 226.5775 -203828.6911 2875.5031 0.0000 0.0000 51626.4191 -110186.2166 296.6977 -161812.6357 -109839.5944 297.7273 -168.6234 -141.5818 761343.8522 4.7928 5.1677 PRESSURE: 4037800 -31.9821 153.793 91.8077 153.793 -328.082 -226.828 91.8066 -226.826 -102.491 GPRESSURE: 4037800 -16.2938 100.13 67.0944 2.0699 -285.239 -138.847 30.8775 -273.68 -84.6575 PRESSAVG: 4037800 -23.9413 -7.2525 48.7333 -7.25249 85.5052 -8.50454 48.7333 -8.50448 -8.72953 GPRESSAVG: 4037800 -23.3779 -6.44945 47.0226 -6.96538 84.5433 -7.43614 50.0283 -11.1563 -9.26084 TIMING: 4037800 CPU: 12821.9, 0.00315578/step Wall: 12821.9, 0.00315578/step, 0.843471 hours remaining, 239.632812 MB of memory in use. ENERGY: 4037800 3945.6972 20454.5181 14389.0139 226.8196 -203310.6352 2494.0737 0.0000 0.0000 51631.8929 -110168.6199 296.7292 -161800.5128 -109818.0060 297.3388 -154.1852 -128.7299 760287.4792 17.6115 17.3015 PRESSURE: 4038000 5.20104 -202.177 255.075 -202.176 53.9202 108.056 255.076 108.057 -121.606 GPRESSURE: 4038000 81.1616 -292.128 217.672 -181.112 102.51 170.783 176.483 9.94879 -154.229 PRESSAVG: 4038000 -10.6324 -28.8676 -36.4471 -28.8676 12.6836 -4.09007 -36.4471 -4.09011 -13.6609 GPRESSAVG: 4038000 -11.4266 -27.4172 -37.2801 -29.6832 13.2688 -5.30285 -36.6482 -2.13995 -13.6749 TIMING: 4038000 CPU: 12822.5, 0.00315979/step Wall: 12822.5, 0.00315979/step, 0.844367 hours remaining, 239.632812 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: 4038000 3872.4405 20353.5210 14437.9828 247.4720 -203498.4235 2844.3465 0.0000 0.0000 51682.2541 -110060.4067 297.0186 -161742.6607 -109701.0989 297.8443 -20.8283 9.8141 761094.5465 -3.8699 -3.9442 PRESSURE: 4038200 -121.97 181.684 -189.605 181.684 -28.2513 -27.2666 -189.606 -27.2675 -138.613 GPRESSURE: 4038200 -65.7061 178.708 -174.849 118.59 30.5438 39.208 -13.0273 2.84852 -174.626 PRESSAVG: 4038200 7.82985 -21.8256 11.901 -21.8256 2.03029 -1.08098 11.9009 -1.08103 -11.7714 GPRESSAVG: 4038200 8.32303 -23.9082 13.9505 -18.3638 1.64644 -0.457711 11.1401 -1.1974 -11.232 TIMING: 4038200 CPU: 12823.2, 0.00314249/step Wall: 12823.2, 0.00314249/step, 0.839568 hours remaining, 239.632812 MB of memory in use. ENERGY: 4038200 3996.3810 20315.3833 14383.6632 257.0886 -203365.9097 2563.7807 0.0000 0.0000 51683.5165 -110166.0964 297.0259 -161849.6129 -109809.3164 297.9101 -96.2781 -69.9295 761068.2212 -0.6371 -0.4208 PRESSURE: 4038400 29.2581 77.6257 99.677 77.6257 -251.308 -230.62 99.6776 -230.62 161.681 GPRESSURE: 4038400 178.918 -3.99193 76.978 -56.2743 -230.13 -227.98 112.092 -207.117 67.8461 PRESSAVG: 4038400 27.7827 25.1097 44.9734 25.1096 29.398 38.0006 44.9734 38.0004 21.5407 GPRESSAVG: 4038400 27.8921 26.0239 44.5299 21.56 30.1552 36.9265 44.7791 39.4588 21.0882 TIMING: 4038400 CPU: 12823.8, 0.00316089/step Wall: 12823.8, 0.00316089/step, 0.844309 hours remaining, 239.632812 MB of memory in use. ENERGY: 4038400 3970.6244 20356.1325 14461.0014 247.8188 -203379.0318 2509.4976 0.0000 0.0000 51884.3790 -109949.5782 298.1802 -161833.9572 -109584.6688 297.9916 -20.1230 5.5446 759033.1512 26.2405 26.3785 PRESSURE: 4038600 -404.304 149.608 -106.318 149.607 -341.574 44.0188 -106.319 44.0193 -308.928 GPRESSURE: 4038600 -307.367 186.214 -53.5574 177.752 -346.502 42.9369 -57.3272 28.0962 -320.762 PRESSAVG: 4038600 27.6092 28.2184 -4.04274 28.2184 -41.6405 -17.0908 -4.04274 -17.0908 21.67 GPRESSAVG: 4038600 27.4771 26.9089 -4.26569 29.2587 -42.3056 -17.6359 -3.63573 -18.908 22.6444 TIMING: 4038600 CPU: 12824.4, 0.00317202/step Wall: 12824.4, 0.00317202/step, 0.847105 hours remaining, 239.632812 MB of memory in use. ENERGY: 4038600 3978.7384 20487.2824 14504.2180 260.1225 -203270.1543 2298.0602 0.0000 0.0000 52178.8200 -109562.9127 299.8724 -161741.7327 -109192.9264 299.2341 -351.6020 -324.8770 761882.4001 2.5463 2.6053 PRESSURE: 4038800 131.873 -83.5699 -73.6202 -83.57 -52.8093 -31.1424 -73.621 -31.1427 -102.339 GPRESSURE: 4038800 189.965 -31.5993 -103.111 -47.1999 6.24769 3.18292 -78.7915 -46.6423 -130.366 PRESSAVG: 4038800 34.3532 -52.619 -35.3901 -52.619 -44.278 -11.0135 -35.3901 -11.0135 -19.1889 GPRESSAVG: 4038800 32.9046 -52.9606 -33.9501 -50.2584 -43.36 -9.91451 -35.5936 -10.2703 -19.0178 TIMING: 4038800 CPU: 12825.1, 0.00315326/step Wall: 12825.1, 0.00315326/step, 0.841921 hours remaining, 239.632812 MB of memory in use. ENERGY: 4038800 4065.7305 20617.2972 14503.2914 259.7925 -203554.7753 2624.5984 0.0000 0.0000 51879.8050 -109604.2603 298.1540 -161484.0653 -109250.7101 298.7730 -7.7582 21.9486 761838.8007 -9.7045 -9.8244 PRESSURE: 4039000 -147.152 -25.8011 -293.985 -25.8018 -250.565 76.1301 -293.985 76.1304 29.1827 GPRESSURE: 4039000 -137.436 -57.6885 -327.289 -96.0778 -239.027 194.858 -268.72 -152.623 80.4462 PRESSAVG: 4039000 34.9092 -73.1961 23.422 -73.1961 -0.135679 18.0455 23.4219 18.0455 26.5384 GPRESSAVG: 4039000 36.4189 -71.1935 23.3068 -75.7632 -1.17552 17.55 21.1982 16.5458 26.6719 TIMING: 4039000 CPU: 12825.7, 0.00312651/step Wall: 12825.7, 0.00312651/step, 0.834605 hours remaining, 239.632812 MB of memory in use. ENERGY: 4039000 3996.0229 20543.3019 14534.4421 256.3952 -203586.6100 2573.3309 0.0000 0.0000 52028.6087 -109654.5083 299.0091 -161683.1170 -109305.6485 299.2214 -122.8446 -98.6725 761032.3818 20.4373 20.6385 PRESSURE: 4039200 -124.933 -60.1365 157.354 -60.1366 -215.776 197.742 157.354 197.741 -167.877 GPRESSURE: 4039200 -70.2634 49.3432 96.7589 7.07968 -243.256 200.828 -12.2611 150.352 -133.029 PRESSAVG: 4039200 -3.8361 -88.9787 -16.7017 -88.9787 -13.1592 8.17733 -16.7017 8.17727 -3.34025 GPRESSAVG: 4039200 -4.21972 -89.3829 -17.1524 -87.7954 -12.1069 8.67136 -18.1499 8.89931 -4.01529 TIMING: 4039200 CPU: 12826.3, 0.00316851/step Wall: 12826.3, 0.00316851/step, 0.84564 hours remaining, 239.632812 MB of memory in use. ENERGY: 4039200 3996.1879 20473.2978 14419.1606 279.0990 -203286.6075 2449.8423 0.0000 0.0000 52112.4931 -109556.5268 299.4912 -161669.0200 -109193.0889 299.0045 -169.5287 -148.8494 761502.8472 -6.7785 -6.7806 PRESSURE: 4039400 -86.8705 -16.8429 -79.291 -16.8434 149.666 -181.86 -79.2905 -181.86 -53.3968 GPRESSURE: 4039400 11.5203 -183.466 -130.978 -86.146 143.315 -69.2146 -81.9356 -162.804 -71.8402 PRESSAVG: 4039400 -51.9178 -55.4477 4.64637 -55.4477 82.0969 30.0654 4.64629 30.0654 9.95545 GPRESSAVG: 4039400 -52.1835 -55.3798 6.05994 -55.7794 82.0679 31.1636 5.33282 30.3734 10.0536 TIMING: 4039400 CPU: 12827, 0.00319788/step Wall: 12827, 0.00319788/step, 0.8533 hours remaining, 239.632812 MB of memory in use. ENERGY: 4039400 3992.8999 20667.6474 14515.3682 243.4458 -204269.2172 2930.4365 0.0000 0.0000 52219.0609 -109700.3585 300.1037 -161919.4193 -109349.3916 298.9217 3.1330 27.6652 760132.5876 13.3782 13.3127 PRESSURE: 4039600 38.1622 46.002 -35.0307 46.0014 200.418 196.26 -35.0312 196.259 -162.345 GPRESSURE: 4039600 52.4446 19.1411 -112.642 103.448 187.563 140.863 -40.1844 181.44 -88.6235 PRESSAVG: 4039600 53.6949 -36.9442 -0.768532 -36.9441 -11.3301 20.9092 -0.768558 20.9093 2.5112 GPRESSAVG: 4039600 53.9355 -36.988 -2.66533 -36.9061 -12.2199 18.7475 1.7542 19.5383 3.1016 TIMING: 4039600 CPU: 12827.6, 0.00317487/step Wall: 12827.6, 0.00317487/step, 0.846984 hours remaining, 239.632812 MB of memory in use. ENERGY: 4039600 4027.0317 20662.3809 14406.6826 241.2497 -203608.3609 2661.6011 0.0000 0.0000 52078.1043 -109531.3105 299.2936 -161609.4148 -109156.5951 299.4306 25.4120 50.4614 761178.6148 14.9587 14.9391 PRESSURE: 4039800 206.844 -58.9247 -274.148 -58.9247 106.04 -134.072 -274.149 -134.073 -42.5684 GPRESSURE: 4039800 190.322 -67.3938 -248.801 -27.0533 200.49 -48.4325 -305.898 -255.36 -16.5572 PRESSAVG: 4039800 58.211 -22.7351 0.161275 -22.7352 -93.0618 37.5642 0.161275 37.5642 22.5008 GPRESSAVG: 4039800 59.7736 -23.0729 2.02086 -24.2526 -91.6261 38.4978 -1.76367 38.349 19.9971 TIMING: 4039800 CPU: 12828.2, 0.00317158/step Wall: 12828.2, 0.00317158/step, 0.845931 hours remaining, 239.632812 MB of memory in use. ENERGY: 4039800 3998.9750 20705.6475 14492.9073 244.1121 -203711.8854 2858.5015 0.0000 0.0000 51955.3688 -109456.3732 298.5882 -161411.7420 -109088.6304 299.7070 90.1052 124.7516 761102.5723 -4.1167 -3.9518 PRESSURE: 4040000 26.2643 -157.209 35.0382 -157.209 -91.1273 -45.4569 35.0389 -45.4575 -137.565 GPRESSURE: 4040000 26.2838 -52.8739 67.9011 -127.521 -41.3088 -125.624 -85.9722 49.1452 -97.1848 PRESSAVG: 4040000 35.9926 -15.4926 -71.2079 -15.4927 -40.6614 -55.3485 -71.2079 -55.3485 5.75364 GPRESSAVG: 4040000 34.9665 -13.8501 -72.8618 -14.5481 -40.7115 -54.6798 -68.7939 -56.2644 6.37442 TIMING: 4040000 CPU: 12828.9, 0.00314115/step Wall: 12828.9, 0.00314115/step, 0.83764 hours remaining, 239.632812 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: 4040000 4037.8429 20795.3447 14508.2006 278.7948 -204018.1839 2900.2292 0.0000 0.0000 52095.2424 -109402.5291 299.3921 -161497.7715 -109040.9315 299.9817 -67.4760 -37.4033 761262.7399 0.3616 0.2098 PRESSURE: 4040200 -206.329 -140.412 149.587 -140.412 5.72662 42.467 149.587 42.4672 -24.5594 GPRESSURE: 4040200 -166.523 -91.9512 138.783 -148.258 70.8882 26.75 60.8794 18.1621 -50.6663 PRESSAVG: 4040200 61.6427 -33.8853 -10.3503 -33.8853 -62.8678 -15.3917 -10.3502 -15.3917 5.33048 GPRESSAVG: 4040200 61.1147 -36.727 -9.69574 -33.1677 -62.6579 -15.893 -11.7543 -13.4412 5.41766 TIMING: 4040200 CPU: 12829.5, 0.00315557/step Wall: 12829.5, 0.00315557/step, 0.84131 hours remaining, 239.632812 MB of memory in use. ENERGY: 4040200 4094.7951 20607.6595 14419.5725 247.0367 -203361.0124 2476.3558 0.0000 0.0000 52210.2909 -109305.3019 300.0533 -161515.5928 -108932.6864 300.0000 -75.0538 -48.7669 761667.5272 1.3685 1.2915 LDB: ============= START OF LOAD BALANCING ============== 12841.9 LDB: ============== END OF LOAD BALANCING =============== 12841.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12841.9 LDB: ============= START OF LOAD BALANCING ============== 12842.3 LDB: Largest compute 7056 load 0.036471 is 18.7% of average load 0.195406 LDB: Average compute 0.004394 is 2.2% of average load 0.195406 LDB: TIME 12842.3 LOAD: AVG 0.195406 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.438 MB LDB: TIME 12842.3 LOAD: AVG 0.195406 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.508 MB LDB: TIME 12842.3 LOAD: AVG 0.195406 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.508 MB LDB: ============== END OF LOAD BALANCING =============== 12842.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12842.3 PRESSURE: 4040400 42.2466 -105.359 5.28148 -105.36 240.907 17.6478 5.28122 17.6488 190.319 GPRESSURE: 4040400 35.6072 -100.313 152.098 -45.371 195.641 -9.23841 -189.185 -45.0257 326.247 PRESSAVG: 4040400 42.9438 -50.7159 19.2746 -50.716 -47.8798 22.9673 19.2747 22.9674 -7.78867 GPRESSAVG: 4040400 42.6619 -50.0237 19.7974 -50.7818 -47.9311 23.4652 18.656 19.8178 -7.18 TIMING: 4040400 CPU: 12830.1, 0.0032128/step Wall: 12830.1, 0.0032128/step, 0.85639 hours remaining, 239.324219 MB of memory in use. ENERGY: 4040400 3982.9594 20747.0127 14469.1853 243.5662 -203686.2120 2765.9888 0.0000 0.0000 52067.3024 -109410.1973 299.2315 -161477.4997 -109039.2322 299.6515 157.8244 185.8317 760434.4923 -4.2416 -4.1497 PRESSURE: 4040600 276.28 -173.894 44.518 -173.894 -140.773 -82.2525 44.5186 -82.2522 364.907 GPRESSURE: 4040600 307.078 -286.339 47.5349 -57.9269 -114.302 -89.6967 26.9903 -175.599 397.635 PRESSAVG: 4040600 69.2895 -53.6423 20.6646 -53.6423 -70.6273 -10.0624 20.6645 -10.0624 -2.82023 GPRESSAVG: 4040600 70.3405 -53.4441 20.6054 -53.7463 -71.299 -10.6022 20.3319 -6.82802 -2.942 TIMING: 4040600 CPU: 12830.8, 0.00315396/step Wall: 12830.8, 0.00315396/step, 0.84053 hours remaining, 239.324219 MB of memory in use. ENERGY: 4040600 3961.4372 20547.5280 14458.7283 233.7764 -203821.4928 2828.4798 0.0000 0.0000 52221.5229 -109570.0202 300.1178 -161791.5431 -109203.0131 299.5358 166.8045 196.8034 760743.4625 -1.3860 -1.3002 PRESSURE: 4040800 -85.5034 265.58 -145.098 265.579 -294.27 -0.256648 -145.099 -0.256685 -36.6455 GPRESSURE: 4040800 -56.3645 99.2689 -147.487 205.487 -263.586 61.2433 -91.0175 -55.6217 -10.98 PRESSAVG: 4040800 -0.701547 33.419 13.0077 33.419 -58.2566 -69.4414 13.0078 -69.4414 -6.98688 GPRESSAVG: 4040800 -0.885229 33.5847 14.2832 32.4522 -58.8966 -68.3212 12.8141 -72.5331 -5.576 TIMING: 4040800 CPU: 12831.4, 0.0031555/step Wall: 12831.4, 0.0031555/step, 0.840764 hours remaining, 239.324219 MB of memory in use. ENERGY: 4040800 4005.9985 20583.1152 14539.4712 251.8592 -203534.5426 2496.2202 0.0000 0.0000 52005.4918 -109652.3866 298.8763 -161657.8783 -109287.8937 299.5494 -138.8064 -110.3101 761607.7233 -21.9817 -21.7859 PRESSURE: 4041000 -266.775 74.9814 22.6621 74.9815 -263.926 21.0172 22.6618 21.0159 130.037 GPRESSURE: 4041000 -217.76 -25.5448 25.7929 -28.8528 -151.929 40.3922 25.1275 193.308 60.7218 PRESSAVG: 4041000 39.3149 -0.900185 -10.601 -0.900243 -20.0571 -23.6788 -10.6009 -23.6787 -18.2445 GPRESSAVG: 4041000 38.1714 -2.00064 -11.9989 -1.7098 -18.0459 -26.4085 -9.65938 -20.8948 -18.866 TIMING: 4041000 CPU: 12832, 0.00314881/step Wall: 12832, 0.00314881/step, 0.838809 hours remaining, 239.324219 MB of memory in use. ENERGY: 4041000 4048.9712 20330.8413 14513.5160 260.7493 -203696.4589 2557.7075 0.0000 0.0000 52131.0261 -109853.6476 299.5977 -161984.6736 -109485.5462 299.1791 -133.5549 -102.9891 762125.6886 0.3378 0.4198 PRESSURE: 4041200 -74.1979 88.5339 82.8806 88.5336 53.4868 -248.611 82.8808 -248.61 -394.478 GPRESSURE: 4041200 -114.759 81.7708 41.5114 83.3041 109.186 -288.601 86.9423 -248.902 -311.896 PRESSAVG: 4041200 28.6645 43.0086 11.3129 43.0086 -27.6216 7.77942 11.313 7.77937 1.51896 GPRESSAVG: 4041200 30.0196 43.095 11.7998 41.8261 -29.0993 9.45709 12.0624 7.55922 0.997824 TIMING: 4041200 CPU: 12832.7, 0.00316635/step Wall: 12832.7, 0.00316635/step, 0.843303 hours remaining, 239.324219 MB of memory in use. ENERGY: 4041200 3962.5619 20573.8769 14504.0236 246.4206 -203636.6920 2654.9927 0.0000 0.0000 51836.3259 -109858.4904 297.9041 -161694.8163 -109511.8904 298.4107 -138.3962 -105.8232 760698.3511 0.8540 0.6394 PRESSURE: 4041400 -280.78 -15.1944 18.7881 -15.1952 -227.623 -111.697 18.7892 -111.697 -290.186 GPRESSURE: 4041400 -319.689 -111.074 -11.7737 45.6073 -121.43 -151.577 -48.7335 -40.4001 -274.097 PRESSAVG: 4041400 -22.2843 -15.3254 -2.02947 -15.3254 26.0942 -13.7883 -2.02952 -13.7882 -4.00386 GPRESSAVG: 4041400 -22.6975 -15.4178 -1.99876 -13.3254 26.6317 -13.7296 -3.52944 -14.171 -4.24546 TIMING: 4041400 CPU: 12833.3, 0.00317364/step Wall: 12833.3, 0.00317364/step, 0.845069 hours remaining, 239.324219 MB of memory in use. ENERGY: 4041400 4030.6877 20407.8200 14425.9648 231.0355 -203752.5802 2506.9389 0.0000 0.0000 52058.8293 -110091.3040 299.1828 -162150.1333 -109724.1600 298.3565 -266.1963 -238.4054 762812.9149 -0.0647 -0.1038 PRESSURE: 4041600 -93.0781 -36.8848 245.688 -36.8846 29.2971 136.972 245.688 136.972 74.2359 GPRESSURE: 4041600 43.0466 -52.3773 238.596 11.0466 -10.9474 82.0746 260.241 17.2807 72.6056 PRESSAVG: 4041600 22.6105 -29.1624 -10.6615 -29.1625 1.25341 -24.6585 -10.6615 -24.6585 13.4854 GPRESSAVG: 4041600 22.1626 -28.3535 -9.84256 -27.5667 1.08676 -24.9776 -9.99331 -25.8892 14.1914 TIMING: 4041600 CPU: 12833.9, 0.00315953/step Wall: 12833.9, 0.00315953/step, 0.841136 hours remaining, 239.324219 MB of memory in use. ENERGY: 4041600 3971.1008 20477.3201 14573.6284 245.8897 -204070.1318 2739.3854 0.0000 0.0000 52053.3686 -110009.4388 299.1514 -162062.8074 -109649.3382 298.3334 3.4850 34.9016 759828.2294 12.4498 12.4802 PRESSURE: 4041800 42.8411 -53.8031 -63.1976 -53.8041 17.4941 -232 -63.198 -232.001 345.133 GPRESSURE: 4041800 39.2802 -68.2159 -10.7228 -2.39416 107.008 -217.275 -119.521 -241.677 352.108 PRESSAVG: 4041800 -20.5296 -36.9006 28.1058 -36.9005 58.1462 30.8076 28.1057 30.8076 8.2324 GPRESSAVG: 4041800 -20.0565 -36.3945 29.2206 -36.2764 58.5138 28.734 26.3115 31.3315 7.87386 TIMING: 4041800 CPU: 12834.6, 0.00316123/step Wall: 12834.6, 0.00316123/step, 0.841413 hours remaining, 239.324219 MB of memory in use. ENERGY: 4041800 4008.0447 20638.3587 14452.1828 254.2032 -203645.9812 2464.1849 0.0000 0.0000 52080.4339 -109748.5729 299.3070 -161829.0068 -109393.5622 299.1977 135.1560 166.1320 761980.4851 15.2830 15.4437 PRESSURE: 4042000 -241.583 239.033 -273.255 239.033 -315.044 -132.273 -273.256 -132.273 157.944 GPRESSURE: 4042000 -267.179 267.687 -210.3 162.1 -203.709 -89.4909 -171.985 -178.301 142.907 PRESSAVG: 4042000 -15.6118 -32.4284 32.7935 -32.4283 -3.63258 -52.0296 32.7936 -52.0297 14.4511 GPRESSAVG: 4042000 -15.8668 -33.1004 30.6752 -34.6652 -3.40639 -48.8834 34.2665 -51.6055 14.604 TIMING: 4042000 CPU: 12835.2, 0.00315627/step Wall: 12835.2, 0.00315627/step, 0.839919 hours remaining, 239.324219 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: 4042000 4026.3552 20533.6767 14447.1351 253.4787 -203688.9165 2659.6660 0.0000 0.0000 51942.1678 -109826.4370 298.5124 -161768.6048 -109459.8855 299.1658 -132.8940 -109.3269 762550.5614 -1.5977 -1.5564 PRESSURE: 4042200 161.07 87.4709 -130.065 87.4705 -206.164 -111.517 -130.064 -111.518 187.456 GPRESSURE: 4042200 211.182 75.689 -186.291 59.9466 -255.331 -138.958 -143.524 -107.814 249.523 PRESSAVG: 4042200 32.4306 -10.4667 9.27219 -10.4667 -3.45061 49.0989 9.27221 49.0987 30.1487 GPRESSAVG: 4042200 32.7605 -9.3092 9.73927 -11.8763 -4.16366 48.0102 9.31642 48.7772 30.2163 TIMING: 4042200 CPU: 12835.8, 0.0031435/step Wall: 12835.8, 0.0031435/step, 0.836346 hours remaining, 239.324219 MB of memory in use. ENERGY: 4042200 4001.4670 20550.8757 14444.6635 252.3702 -203439.0083 2572.6210 0.0000 0.0000 51922.4285 -109694.5824 298.3989 -161617.0109 -109337.6334 299.1595 47.4540 68.4578 763392.7066 19.7096 19.6044 PRESSURE: 4042400 -33.5157 131.756 71.8905 131.756 38.5423 -155.199 71.8907 -155.199 10.7262 GPRESSURE: 4042400 -56.7923 111.087 53.0785 49.5366 123.264 -142.224 -98.1081 -60.5682 26.3083 PRESSAVG: 4042400 18.7895 -5.35777 -4.04401 -5.35777 -7.88248 -30.8277 -4.04399 -30.8276 14.985 GPRESSAVG: 4042400 18.6706 -5.99392 -5.16806 -4.57027 -6.88278 -30.1213 -6.32303 -31.577 14.1212 TIMING: 4042400 CPU: 12836.4, 0.00313228/step Wall: 12836.4, 0.00313228/step, 0.833186 hours remaining, 239.324219 MB of memory in use. ENERGY: 4042400 4001.4069 20611.0700 14529.1211 264.7092 -203803.8196 2720.1841 0.0000 0.0000 51978.5863 -109698.7420 298.7216 -161677.3283 -109335.1662 298.8938 5.2509 30.9266 759674.4808 8.6307 8.6364 PRESSURE: 4042600 -214.307 -51.2562 62.6537 -51.256 141.376 219.442 62.6539 219.442 119.921 GPRESSURE: 4042600 -140.138 -9.98968 47.7624 -37.4473 150.995 211.592 122.919 182.001 137.477 PRESSAVG: 4042600 55.0256 -19.447 0.662247 -19.4471 -25.3696 -17.4033 0.662177 -17.4033 7.94233 GPRESSAVG: 4042600 55.822 -19.0348 0.39557 -18.8117 -26.7816 -17.5191 3.42418 -17.0617 8.28953 TIMING: 4042600 CPU: 12837.1, 0.00313346/step Wall: 12837.1, 0.00313346/step, 0.833328 hours remaining, 239.324219 MB of memory in use. ENERGY: 4042600 3890.4752 20502.5046 14493.5169 240.1780 -203649.7616 2663.7000 0.0000 0.0000 52145.8403 -109713.5466 299.6829 -161859.3869 -109333.7651 299.7477 15.6634 49.4444 760011.8460 12.5328 12.4433 PRESSURE: 4042800 64.8432 125.212 118.462 125.211 -35.6592 -170.97 118.462 -170.97 195.718 GPRESSURE: 4042800 45.3075 103.381 -14.6319 84.979 -8.74159 -240.961 72.2266 -91.2141 276.345 PRESSAVG: 4042800 32.5258 -46.6661 45.3066 -46.6662 -28.1352 7.28141 45.3067 7.28147 -2.91571 GPRESSAVG: 4042800 31.3431 -48.1029 44.1479 -47.3401 -27.3577 7.38032 43.7 7.74782 -1.94026 TIMING: 4042800 CPU: 12837.7, 0.00313477/step Wall: 12837.7, 0.00313477/step, 0.8335 hours remaining, 239.324219 MB of memory in use. ENERGY: 4042800 3979.8228 20640.5087 14483.3989 254.2829 -203614.5602 2607.3483 0.0000 0.0000 51974.5683 -109674.6305 298.6986 -161649.1987 -109308.1768 299.1640 74.9672 104.3036 759095.0899 0.4916 0.6817 PRESSURE: 4043000 253.615 69.8409 -256.374 69.8408 115.702 81.7514 -256.375 81.7509 176.35 GPRESSURE: 4043000 267.431 60.703 -56.8138 -4.73732 223.662 -19.3896 -337.248 59.4229 148.368 PRESSAVG: 4043000 -41.7142 -6.81614 -18.8477 -6.81618 43.7619 -17.9789 -18.8477 -17.9789 -24.4776 GPRESSAVG: 4043000 -41.5791 -4.49233 -17.2126 -7.05476 44.4276 -17.3198 -19.6019 -18.1564 -25.0721 TIMING: 4043000 CPU: 12838.3, 0.00313359/step Wall: 12838.3, 0.00313359/step, 0.833013 hours remaining, 239.324219 MB of memory in use. ENERGY: 4043000 3985.6007 20558.1498 14409.1026 259.2737 -204168.7795 2996.6828 0.0000 0.0000 52232.7062 -109727.2639 300.1821 -161959.9700 -109352.4689 299.5693 181.8889 213.1538 757510.0522 -7.4766 -7.4079 PRESSURE: 4043200 -214.311 -132.981 -152.591 -132.982 -261.146 104.804 -152.592 104.804 142.476 GPRESSURE: 4043200 -200.631 -163.814 -84.6039 -15.4619 -263.429 122.52 -55.6646 140.183 201.791 PRESSAVG: 4043200 18.1727 -8.30775 -34.1638 -8.30769 -33.6163 -18.338 -34.1638 -18.338 -9.96495 GPRESSAVG: 4043200 19.02 -10.8148 -33.931 -7.13216 -34.0064 -19.7839 -32.9557 -17.9152 -10.3817 TIMING: 4043200 CPU: 12838.9, 0.00313376/step Wall: 12838.9, 0.00313376/step, 0.832884 hours remaining, 239.324219 MB of memory in use. ENERGY: 4043200 4066.0221 20500.4146 14504.8003 235.8266 -203641.6208 2642.7496 0.0000 0.0000 52046.0151 -109645.7925 299.1092 -161691.8076 -109291.7507 299.6461 -110.9935 -87.4226 762199.6665 -8.4695 -8.4561 PRESSURE: 4043400 -176.389 179.511 -128.096 179.511 -221.843 -20.0636 -128.095 -20.0623 13.2631 GPRESSURE: 4043400 -136.898 180.902 -227.696 75.4413 -226.659 -48.8347 -39.7526 1.41747 65.4089 PRESSAVG: 4043400 -38.4451 15.7101 -34.6958 15.7101 64.113 35.5216 -34.6958 35.5216 -8.75861 GPRESSAVG: 4043400 -38.654 17.5473 -35.3722 12.9542 64.2451 35.5987 -32.508 33.0247 -8.96504 TIMING: 4043400 CPU: 12839.6, 0.00313841/step Wall: 12839.6, 0.00313841/step, 0.833944 hours remaining, 239.324219 MB of memory in use. ENERGY: 4043400 3993.0225 20627.4414 14523.6172 237.9292 -203265.1464 2055.2999 0.0000 0.0000 52111.2630 -109716.5732 299.4841 -161827.8362 -109361.5153 299.1685 -128.3231 -99.3826 761696.3304 5.6364 5.5420 PRESSURE: 4043600 201.325 -111.703 103.069 -111.704 -45.2218 37.2181 103.069 37.2174 -154.778 GPRESSURE: 4043600 200.315 -76.7012 170.439 -249.839 52.1855 52.5264 16.1957 -72.4555 -152.306 PRESSAVG: 4043600 18.4045 23.1085 -11.8686 23.1085 48.6792 4.03483 -11.8687 4.03478 6.63114 GPRESSAVG: 4043600 17.3364 21.7515 -10.9184 25.7548 47.9016 2.41703 -15.2873 7.61218 8.83722 TIMING: 4043600 CPU: 12840.2, 0.00314755/step Wall: 12840.2, 0.00314755/step, 0.8362 hours remaining, 239.324219 MB of memory in use. ENERGY: 4043600 4053.0387 20459.5100 14478.2460 242.8623 -203863.4657 2665.1569 0.0000 0.0000 52163.2566 -109801.3953 299.7830 -161964.6519 -109430.1968 299.2108 0.4419 33.3984 759349.4398 24.5716 24.6917 PRESSURE: 4043800 270.213 285.647 -268.405 285.648 157.05 -128.85 -268.405 -128.849 359.856 GPRESSURE: 4043800 395.053 276.758 -302.661 290.931 205.652 -106.452 -166.922 -16.4081 276.149 PRESSAVG: 4043800 32.0232 21.6092 -36.2238 21.6092 -23.1343 -45.7508 -36.2237 -45.7508 -15.0562 GPRESSAVG: 4043800 33.3942 22.8924 -35.8398 21.2064 -22.7919 -43.6392 -35.3897 -46.2574 -16.9847 TIMING: 4043800 CPU: 12840.8, 0.00313119/step Wall: 12840.8, 0.00313119/step, 0.831678 hours remaining, 239.324219 MB of memory in use. ENERGY: 4043800 3952.5376 20529.4621 14540.9638 243.5839 -203759.1706 2750.9252 0.0000 0.0000 51925.6117 -109816.0863 298.4172 -161741.6981 -109459.6251 299.0320 262.3731 292.2845 758264.6408 -2.0558 -2.1275 PRESSURE: 4044000 -16.8617 219.007 -164.508 219.006 -157.173 -36.8669 -164.507 -36.8667 -303.724 GPRESSURE: 4044000 -5.55231 67.3934 -158.208 146.726 -125.109 -74.8488 -234.174 -21.5636 -284.752 PRESSAVG: 4044000 48.5378 26.0618 -47.8796 26.0618 -1.69866 -0.472596 -47.8796 -0.472588 12.5708 GPRESSAVG: 4044000 48.79 25.0376 -47.5644 23.6828 -3.07372 -0.493828 -47.4058 2.4817 12.6365 TIMING: 4044000 CPU: 12841.5, 0.00315096/step Wall: 12841.5, 0.00315097/step, 0.836756 hours remaining, 239.324219 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: 4044000 3955.5745 20617.5942 14485.5119 242.7781 -203665.5063 2471.1469 0.0000 0.0000 52108.4452 -109784.4555 299.4680 -161892.9007 -109434.0144 299.0589 -159.2531 -138.4712 758696.9245 19.8033 19.4509 PRESSURE: 4044200 34.2281 -73.2471 189.177 -73.2476 -46.2988 202.057 189.176 202.057 15.3211 GPRESSURE: 4044200 117.457 -28.9719 205.515 -187.763 -56.4673 206.646 164 164.314 31.3196 PRESSAVG: 4044200 10.5948 2.72028 -33.3719 2.7203 -32.2953 76.7498 -33.372 76.7499 0.645267 GPRESSAVG: 4044200 11.4494 1.80735 -33.5633 3.94293 -32.6333 77.7443 -35.0307 72.0653 0.352276 TIMING: 4044200 CPU: 12842.1, 0.00314617/step Wall: 12842.1, 0.00314617/step, 0.835308 hours remaining, 239.324219 MB of memory in use. ENERGY: 4044200 3999.8768 20425.9912 14524.8118 235.5211 -203290.7340 2388.9396 0.0000 0.0000 52069.6160 -109645.9774 299.2448 -161715.5934 -109286.0636 298.7418 1.0835 30.7699 760033.7041 -7.0184 -6.9439 LDB: ============= START OF LOAD BALANCING ============== 12854.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12854.5 LDB: =============== DONE WITH MIGRATION ================ 12854.5 LDB: ============= START OF LOAD BALANCING ============== 12854.9 LDB: Largest compute 7056 load 0.036038 is 18.4% of average load 0.195332 LDB: Average compute 0.004380 is 2.2% of average load 0.195332 LDB: TIME 12854.9 LOAD: AVG 0.195332 MAX 0.216049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 12854.9 LOAD: AVG 0.195332 MAX 0.216049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: TIME 12854.9 LOAD: AVG 0.195332 MAX 0.216049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: ============== END OF LOAD BALANCING =============== 12854.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12854.9 PRESSURE: 4044400 -215.549 -124.944 -128.349 -124.944 -163.382 142.115 -128.349 142.117 270.455 GPRESSURE: 4044400 -54.2379 -149.419 -110.858 -92.7234 -182.691 197.973 -123.274 159.677 219.343 PRESSAVG: 4044400 15.2945 -26.9076 -11.6999 -26.9076 -8.22007 82.2679 -11.6999 82.2679 -13.137 GPRESSAVG: 4044400 14.6755 -25.2762 -12.2364 -27.0456 -7.5813 80.983 -9.08099 83.0125 -12.8064 TIMING: 4044400 CPU: 12842.7, 0.00320257/step Wall: 12842.7, 0.00320257/step, 0.850103 hours remaining, 240.867188 MB of memory in use. ENERGY: 4044400 3987.9038 20432.5687 14444.7934 238.2207 -202940.7462 2415.9150 0.0000 0.0000 51723.2363 -109698.1083 297.2541 -161421.3446 -109342.1261 298.4133 -36.1589 -5.8618 762036.6865 -2.0208 -1.9041 PRESSURE: 4044600 164.657 -216.002 -315.954 -216.001 115.717 -133.661 -315.953 -133.66 -159.248 GPRESSURE: 4044600 131.885 -105.795 -222.171 -168.03 192.425 -51.2629 -286.119 -182.469 -125.155 PRESSAVG: 4044600 -27.6202 9.27845 -62.9423 9.27843 21.2087 50.3982 -62.9424 50.3982 -15.1783 GPRESSAVG: 4044600 -27.0739 9.07662 -62.1198 9.01406 21.2791 49.549 -64.7896 51.3523 -15.3283 TIMING: 4044600 CPU: 12843.4, 0.00316868/step Wall: 12843.4, 0.00316868/step, 0.840933 hours remaining, 240.867188 MB of memory in use. ENERGY: 4044600 3939.0481 20532.2541 14406.0935 249.9440 -203427.1496 2637.5744 0.0000 0.0000 51929.6959 -109732.5396 298.4407 -161662.2355 -109369.0717 298.7546 40.3755 66.3850 762021.4833 -7.1966 -7.0410 PRESSURE: 4044800 -94.2161 -318.463 77.1365 -318.463 175.776 214.426 77.1367 214.426 159.495 GPRESSURE: 4044800 -184.183 -293.743 25.1338 -462.786 259.906 206.967 18.1591 219.89 217.153 PRESSAVG: 4044800 -4.686 17.7344 5.03022 17.7344 8.51158 22.1325 5.03022 22.1325 0.173239 GPRESSAVG: 4044800 -6.16076 16.4552 4.22855 17.7069 9.1712 23.2311 5.09006 21.3976 0.618369 TIMING: 4044800 CPU: 12844, 0.00315415/step Wall: 12844, 0.00315415/step, 0.836901 hours remaining, 240.867188 MB of memory in use. ENERGY: 4044800 3994.6344 20521.6552 14427.3684 241.7427 -203063.1217 2454.3499 0.0000 0.0000 51817.2845 -109606.0867 297.7946 -161423.3712 -109249.0967 298.8515 80.3516 97.6253 761427.0528 1.3329 1.2096 PRESSURE: 4045000 138.522 56.2029 228.436 56.2039 159.209 -3.9509 228.435 -3.95028 95.5971 GPRESSURE: 4045000 81.7785 -32.5371 234.632 18.1054 244.089 -76.9804 33.5783 33.8555 160.452 PRESSAVG: 4045000 -51.7166 -31.1298 -2.21733 -31.1298 38.8858 37.6789 -2.21728 37.679 -7.11763 GPRESSAVG: 4045000 -51.6869 -31.6308 -1.47172 -30.5025 38.8942 37.1592 -4.17731 38.485 -7.21518 TIMING: 4045000 CPU: 12844.6, 0.00313418/step Wall: 12844.6, 0.00313418/step, 0.831427 hours remaining, 240.867188 MB of memory in use. ENERGY: 4045000 4005.6345 20547.7154 14366.2400 255.4072 -203734.5311 2685.8006 0.0000 0.0000 52131.2279 -109742.5054 299.5989 -161873.7333 -109383.3187 298.2930 131.1095 162.1066 760242.6386 -6.6495 -6.6693 PRESSURE: 4045200 -43.5903 81.1824 -483.022 81.182 -123.229 143.733 -483.022 143.733 -194.886 GPRESSURE: 4045200 -41.3965 93.6209 -393.161 66.0846 -32.0775 2.52721 -277.522 24.0105 -221.491 PRESSAVG: 4045200 -55.1936 -26.4309 -24.5488 -26.4309 64.2355 90.2534 -24.5488 90.2535 14.8372 GPRESSAVG: 4045200 -54.1643 -25.2722 -24.5051 -26.8645 64.9502 90.3219 -22.0767 91.3439 14.223 TIMING: 4045200 CPU: 12845.2, 0.00313511/step Wall: 12845.2, 0.00313511/step, 0.831501 hours remaining, 240.867188 MB of memory in use. ENERGY: 4045200 3988.5337 20563.7958 14463.5416 263.0198 -203529.0705 2639.0019 0.0000 0.0000 51923.3600 -109687.8176 298.4043 -161611.1776 -109326.3250 298.8820 -120.5684 -98.3217 762970.6513 7.9597 8.3363 PRESSURE: 4045400 -223.03 -143.959 -56.6597 -143.959 227.662 1.78216 -56.6595 1.78318 89.1463 GPRESSURE: 4045400 -133.959 -121.35 -95.3276 -14.7159 206.646 67.4931 -83.5938 19.9617 92.2394 PRESSAVG: 4045400 -29.1711 -30.6773 -27.0091 -30.6773 35.5601 58.8072 -27.0091 58.8073 -20.4952 GPRESSAVG: 4045400 -28.6239 -31.3962 -25.9092 -31.1347 33.9074 58.7157 -27.5785 57.1327 -20.1666 TIMING: 4045400 CPU: 12845.9, 0.00312452/step Wall: 12845.9, 0.00312452/step, 0.828518 hours remaining, 240.867188 MB of memory in use. ENERGY: 4045400 3908.1424 20262.9505 14483.1360 270.6270 -203770.1947 2829.5414 0.0000 0.0000 52095.8251 -109919.9722 299.3954 -162015.7973 -109554.8195 298.0767 31.2596 54.9756 760896.3889 -4.7021 -4.9610 PRESSURE: 4045600 -90.339 99.2178 279.662 99.2182 -140.482 34.0621 279.661 34.0624 -333.904 GPRESSURE: 4045600 -113.681 125.452 291.559 46.5678 -137.379 24.8886 141.63 -26.5974 -234.608 PRESSAVG: 4045600 -0.213213 1.84896 -73.5154 1.84897 37.9081 -8.53066 -73.5155 -8.53061 -0.459579 GPRESSAVG: 4045600 -1.30175 1.90019 -74.5394 2.54838 39.213 -8.01479 -73.6948 -7.47571 -0.893093 TIMING: 4045600 CPU: 12846.5, 0.00313664/step Wall: 12846.5, 0.00313664/step, 0.831559 hours remaining, 240.867188 MB of memory in use. ENERGY: 4045600 3994.7811 20481.0177 14536.3449 249.3667 -203272.4177 2557.0972 0.0000 0.0000 51860.3373 -109593.4729 298.0421 -161453.8101 -109228.7505 298.6788 -188.2419 -161.8893 762825.9539 12.4118 12.3394 PRESSURE: 4045800 70.0803 -169.444 -52.3744 -169.443 371.493 201.901 -52.3752 201.901 60.5143 GPRESSURE: 4045800 112.192 -193.17 6.02945 -127.379 411.405 95.4305 -126.124 209.111 76.8676 PRESSAVG: 4045800 6.7764 -35.1232 -37.649 -35.1231 10.7529 60.2887 -37.649 60.2887 -5.20027 GPRESSAVG: 4045800 6.97998 -35.6946 -36.0454 -33.6101 9.51905 59.3605 -37.3672 59.8257 -4.65878 TIMING: 4045800 CPU: 12847.1, 0.00314749/step Wall: 12847.1, 0.00314749/step, 0.834261 hours remaining, 240.867188 MB of memory in use. ENERGY: 4045800 4030.2205 20401.8070 14500.6261 238.2970 -204009.5805 2929.1240 0.0000 0.0000 52311.0926 -109598.4132 300.6326 -161909.5058 -109230.9500 298.9570 167.3626 200.1547 760885.7285 4.1097 3.9468 PRESSURE: 4046000 269.25 193.192 10.1191 193.191 382.089 150.024 10.1197 150.023 290.809 GPRESSURE: 4046000 371.22 124.198 -48.1664 313.522 307.411 139.443 -1.9085 163.181 355.079 PRESSAVG: 4046000 62.1419 -41.9703 -44.9372 -41.9703 -46.1299 45.12 -44.9372 45.12 8.22795 GPRESSAVG: 4046000 61.9894 -40.176 -47.6159 -42.7349 -45.7471 45.4693 -44.0269 45.0086 7.70236 TIMING: 4046000 CPU: 12847.8, 0.00314646/step Wall: 12847.8, 0.00314646/step, 0.833812 hours remaining, 240.867188 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: 4046000 3960.8241 20453.0905 14575.2488 242.1604 -204250.0295 3172.3717 0.0000 0.0000 51959.9585 -109886.3754 298.6146 -161846.3340 -109528.8712 298.9698 314.0494 344.5701 759913.8017 8.0800 7.9815 PRESSURE: 4046200 -67.9819 8.38269 -101.071 8.38266 48.9485 160.71 -101.071 160.709 -57.8002 GPRESSURE: 4046200 -28.0318 -42.4487 -138.243 41.2355 -9.8387 67.3713 -65.0166 125.086 67.3991 PRESSAVG: 4046200 20.5225 -14.0338 -35.8915 -14.0338 16.5546 4.63883 -35.8915 4.6388 -9.76351 GPRESSAVG: 4046200 20.4925 -14.8358 -35.8354 -13.7606 17.5163 4.72074 -36.5236 2.54821 -10.221 TIMING: 4046200 CPU: 12848.4, 0.003146/step Wall: 12848.4, 0.003146/step, 0.833514 hours remaining, 240.867188 MB of memory in use. ENERGY: 4046200 3991.3639 20317.9610 14380.4508 252.7607 -203742.4606 2697.9160 0.0000 0.0000 51981.1626 -110120.8456 298.7365 -162102.0082 -109747.6781 298.1489 -25.6112 9.8429 761239.0983 9.1045 9.2626 PRESSURE: 4046400 34.5387 -116.808 -17.5106 -116.809 100.245 -150.133 -17.5113 -150.133 262.895 GPRESSURE: 4046400 69.1436 -132.762 -55.1113 -59.7327 59.0759 -158.925 126.534 -89.916 356.787 PRESSAVG: 4046400 22.4302 -27.9173 -73.6422 -27.9173 -19.1283 14.9852 -73.6422 14.9851 18.3733 GPRESSAVG: 4046400 23.2932 -28.756 -72.7998 -27.7751 -20.0892 16.037 -73.7034 16.5905 18.621 TIMING: 4046400 CPU: 12849, 0.00314562/step Wall: 12849, 0.00314562/step, 0.83324 hours remaining, 240.867188 MB of memory in use. ENERGY: 4046400 3982.6518 20425.2238 14490.8883 260.2919 -203895.9323 2691.7061 0.0000 0.0000 52063.1902 -109981.9802 299.2079 -162045.1703 -109614.4993 298.4907 132.5596 161.6690 761361.4058 7.2250 7.2750 PRESSURE: 4046600 -65.8137 -142.331 74.0669 -142.331 -269.17 120.784 74.0667 120.784 -334.637 GPRESSURE: 4046600 7.951 -150.625 16.6833 -197.066 -269.801 116.768 42.1311 39.3991 -323.455 PRESSAVG: 4046600 -75.679 -14.1593 -37.4866 -14.1593 79.0176 36.898 -37.4866 36.898 0.134642 GPRESSAVG: 4046600 -76.4561 -13.4073 -37.0617 -15.7979 80.2895 36.4644 -38.6834 37.0076 -0.119397 TIMING: 4046600 CPU: 12849.7, 0.00316719/step Wall: 12849.7, 0.00316719/step, 0.838778 hours remaining, 240.867188 MB of memory in use. ENERGY: 4046600 4023.9284 20269.1387 14508.1917 253.3774 -203357.6089 2375.5814 0.0000 0.0000 52077.5102 -109849.8811 299.2902 -161927.3914 -109488.2077 298.1315 -223.2069 -195.1015 763060.3262 1.1577 1.2380 PRESSURE: 4046800 -275.326 52.5039 -128.385 52.504 -28.0725 200.262 -128.384 200.262 60.9051 GPRESSURE: 4046800 -249.97 123.167 -87.1233 94.3936 -15.428 149.821 -45.088 178.985 110.771 PRESSAVG: 4046800 -5.34213 -36.6774 -40.0235 -36.6774 -25.1799 -7.84417 -40.0235 -7.84423 2.7862 GPRESSAVG: 4046800 -6.40594 -37.1709 -41.6029 -35.6737 -25.6994 -9.57696 -36.6055 -7.47359 3.84388 TIMING: 4046800 CPU: 12850.3, 0.00314047/step Wall: 12850.3, 0.00314047/step, 0.831527 hours remaining, 240.867188 MB of memory in use. ENERGY: 4046800 4018.6144 20470.9116 14451.0437 249.0317 -203600.4839 2610.6742 0.0000 0.0000 51942.9080 -109857.3004 298.5166 -161800.2084 -109494.3763 298.4762 -80.8312 -51.5422 762532.2766 -9.2453 -9.4205 PRESSURE: 4047000 114.027 -12.1491 171.164 -12.1494 122.057 -60.7122 171.165 -60.7117 310.891 GPRESSURE: 4047000 124.538 13.1221 216.914 7.31127 111.473 -63.4597 53.8465 -36.4619 371.943 PRESSAVG: 4047000 -29.1311 -14.7124 -33.5642 -14.7125 9.20304 -19.9593 -33.5642 -19.9593 4.39976 GPRESSAVG: 4047000 -26.8235 -13.7416 -32.7083 -15.7214 7.74607 -18.6585 -33.9683 -18.8882 4.13432 TIMING: 4047000 CPU: 12850.9, 0.00311586/step Wall: 12850.9, 0.00311586/step, 0.824838 hours remaining, 240.867188 MB of memory in use. ENERGY: 4047000 3950.9933 20493.3239 14471.0614 259.5306 -203765.0103 2726.8563 0.0000 0.0000 52040.0992 -109823.1457 299.0752 -161863.2449 -109452.2202 298.7149 182.3252 202.6513 763318.2543 -5.1761 -4.9810 PRESSURE: 4047200 29.3443 -8.86264 -180.679 -8.86257 54.6355 194.992 -180.678 194.992 315.212 GPRESSURE: 4047200 53.734 -74.6362 -163.783 -14.5062 147.908 174.852 -230.074 320.813 275.725 PRESSAVG: 4047200 -32.0711 -5.04529 -15.5364 -5.04531 21.1649 31.1341 -15.5364 31.1341 1.83563 GPRESSAVG: 4047200 -33.4579 -7.37654 -15.5265 -4.78621 23.1356 32.1057 -17.6374 29.3073 0.837433 TIMING: 4047200 CPU: 12851.5, 0.00314503/step Wall: 12851.5, 0.00314503/step, 0.832384 hours remaining, 240.867188 MB of memory in use. ENERGY: 4047200 3909.2583 20584.7932 14544.5814 259.4657 -203335.2457 2563.1845 0.0000 0.0000 51753.9903 -109719.9723 297.4309 -161473.9626 -109363.4231 298.5511 133.0639 159.1221 760899.6803 -3.0235 -3.1616 PRESSURE: 4047400 10.1167 59.9807 187.891 59.9796 88.9353 -49.197 187.89 -49.1974 -455.041 GPRESSURE: 4047400 47.6158 -21.2044 123.611 41.093 78.3435 -55.5455 189.167 106.417 -396.75 PRESSAVG: 4047400 27.6259 -29.2865 -9.49103 -29.2866 19.1085 50.8025 -9.49102 50.8024 25.4097 GPRESSAVG: 4047400 27.5455 -26.7933 -10.3423 -30.0994 18.8095 48.7024 -9.13326 51.7862 25.114 TIMING: 4047400 CPU: 12852.2, 0.00314234/step Wall: 12852.2, 0.00314234/step, 0.831498 hours remaining, 240.867188 MB of memory in use. ENERGY: 4047400 3953.1517 20617.5139 14478.1848 224.1039 -203152.8308 2250.7422 0.0000 0.0000 52020.2867 -109608.8476 298.9613 -161629.1343 -109245.6201 299.1066 -118.6632 -90.2637 760129.6699 24.0480 23.8230 PRESSURE: 4047600 103.451 -81.9382 -208.214 -81.9382 -353.637 -2.18408 -208.214 -2.18398 159.65 GPRESSURE: 4047600 120.458 29.3457 -135.477 109.153 -305.311 -130.192 -143.352 35.797 190.316 PRESSAVG: 4047600 0.508856 -58.2464 -39.799 -58.2464 -19.4221 43.8679 -39.799 43.8679 -33.4606 GPRESSAVG: 4047600 0.906841 -57.009 -39.2208 -58.9049 -19.227 45.8444 -38.8537 43.6824 -33.3936 TIMING: 4047600 CPU: 12852.8, 0.00314342/step Wall: 12852.8, 0.00314342/step, 0.831609 hours remaining, 240.867188 MB of memory in use. ENERGY: 4047600 3981.6671 20411.6252 14511.0536 243.9627 -203163.6966 2496.6347 0.0000 0.0000 52114.1572 -109404.5961 299.5008 -161518.7534 -109043.3059 299.3961 -30.1785 1.8209 761590.3059 -17.4579 -17.2379 PRESSURE: 4047800 184.649 -23.948 71.6911 -23.9482 -26.7232 112.262 71.6914 112.262 80.2405 GPRESSURE: 4047800 264.509 -17.836 66.9814 -85.1365 -29.1966 111.361 45.1838 2.84287 96.1868 PRESSAVG: 4047800 -54.6334 -6.4085 -32.6919 -6.40854 32.8209 64.8641 -32.6918 64.864 -2.71848 GPRESSAVG: 4047800 -53.9556 -8.15989 -31.811 -5.88025 30.9399 63.6324 -34.4713 65.9477 -1.11078 TIMING: 4047800 CPU: 12853.4, 0.00314968/step Wall: 12853.4, 0.00314968/step, 0.83309 hours remaining, 240.867188 MB of memory in use. ENERGY: 4047800 3933.7183 20581.0031 14536.2779 247.1052 -203553.9801 2689.5158 0.0000 0.0000 52081.1816 -109485.1782 299.3113 -161566.3599 -109127.2775 299.4800 79.3889 110.4998 760787.9181 -8.1770 -8.0422 PRESSURE: 4048000 134.829 37.0795 110.155 37.0799 89.6102 31.016 110.155 31.0155 670.684 GPRESSURE: 4048000 183.737 28.4131 113.098 40.2576 176.633 -26.3391 151.189 42.0575 626.353 PRESSAVG: 4048000 29.0427 25.9836 10.0173 25.9836 -8.96829 46.4744 10.0174 46.4744 -38.3485 GPRESSAVG: 4048000 27.2626 27.975 9.58221 25.9203 -7.06582 46.6866 12.9641 44.4069 -39.2454 TIMING: 4048000 CPU: 12854, 0.0031279/step Wall: 12854, 0.0031279/step, 0.827156 hours remaining, 240.867188 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: 4048000 4052.3444 20404.0375 14556.8070 255.9214 -203632.9326 2893.6411 0.0000 0.0000 52086.9974 -109383.1837 299.3447 -161470.1812 -109025.0625 299.5419 298.3744 328.9075 760628.7089 -6.0914 -6.3495 PRESSURE: 4048200 50.559 25.2847 -166.89 25.2855 165.211 -34.8195 -166.89 -34.8196 -44.7306 GPRESSURE: 4048200 32.9383 68.6733 -158.559 -81.3386 197.119 30.6689 -189.929 -2.65148 19.1236 PRESSAVG: 4048200 -42.4272 -13.8139 -34.5811 -13.8139 10.8314 93.1969 -34.5811 93.1969 5.85639 GPRESSAVG: 4048200 -42.5178 -14.8237 -35.6693 -12.799 9.2919 93.5803 -36.6328 93.4383 6.85673 TIMING: 4048200 CPU: 12854.7, 0.00313863/step Wall: 12854.7, 0.00313863/step, 0.829818 hours remaining, 240.867188 MB of memory in use. ENERGY: 4048200 4057.5191 20419.0017 14515.0168 252.3828 -203138.5703 2578.1399 0.0000 0.0000 51958.2284 -109358.2814 298.6047 -161316.5099 -109000.4208 299.3147 57.0130 83.0603 760671.3610 -8.5798 -8.7897 LDB: ============= START OF LOAD BALANCING ============== 12867.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12867.1 LDB: =============== DONE WITH MIGRATION ================ 12867.1 LDB: ============= START OF LOAD BALANCING ============== 12867.4 LDB: Largest compute 7056 load 0.038131 is 19.5% of average load 0.195405 LDB: Average compute 0.004383 is 2.2% of average load 0.195405 LDB: TIME 12867.4 LOAD: AVG 0.195405 MAX 0.218751 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 12867.4 LOAD: AVG 0.195405 MAX 0.218751 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: TIME 12867.4 LOAD: AVG 0.195405 MAX 0.217424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.5 MB LDB: ============== END OF LOAD BALANCING =============== 12867.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12867.4 PRESSURE: 4048400 349.175 -186.556 -102.53 -186.557 -243.258 -65.6905 -102.529 -65.6907 -315.132 GPRESSURE: 4048400 309.683 -117.893 -130.223 -151.937 -165.115 -26.5531 -76.5174 -90.6906 -270.192 PRESSAVG: 4048400 0.344832 -46.8708 -103.84 -46.8708 29.282 32.1012 -103.84 32.1013 -2.15991 GPRESSAVG: 4048400 0.434294 -49.4039 -103.374 -46.4121 30.2479 32.398 -102.062 32.6844 -3.04972 TIMING: 4048400 CPU: 12855.3, 0.00321146/step Wall: 12855.3, 0.00321146/step, 0.848896 hours remaining, 240.808594 MB of memory in use. ENERGY: 4048400 4031.1742 20554.0373 14472.6471 237.2997 -203050.5930 2185.3884 0.0000 0.0000 52282.2323 -109287.8141 300.4667 -161570.0464 -108919.4499 299.8156 -69.7382 -41.8748 761161.5689 9.1556 9.2108 PRESSURE: 4048600 15.6528 -154.634 95.6124 -154.636 -421.737 -60.62 95.6114 -60.6202 -244.418 GPRESSURE: 4048600 -57.0571 -120.599 136.555 -158.618 -251.353 -96.0703 70.1335 -28.5759 -266.044 PRESSAVG: 4048600 54.1992 -27.1474 -27.2858 -27.1475 5.96787 11.9165 -27.2858 11.9166 -2.83779 GPRESSAVG: 4048600 53.9438 -24.2426 -27.672 -27.3736 6.07394 12.4326 -27.618 13.6899 -2.46843 TIMING: 4048600 CPU: 12855.9, 0.00315906/step Wall: 12855.9, 0.00315906/step, 0.83487 hours remaining, 240.808594 MB of memory in use. ENERGY: 4048600 4074.4610 20591.0194 14525.9965 238.1466 -202837.0208 2211.0876 0.0000 0.0000 52021.7806 -109174.5292 298.9699 -161196.3098 -108815.4225 299.6760 -216.8342 -191.4846 761458.8887 19.1097 19.1831 PRESSURE: 4048800 -238.549 -3.19134 -19.6847 -3.19193 -92.0367 -152.242 -19.6844 -152.242 -296.414 GPRESSURE: 4048800 -164.91 -173.016 78.9427 -16.3275 -100.055 -135.648 -76.9834 -121.2 -276.938 PRESSAVG: 4048800 92.1813 -31.7463 -63.2404 -31.7463 -70.9207 -3.86599 -63.2405 -3.86594 4.37656 GPRESSAVG: 4048800 91.2934 -34.1381 -61.9382 -31.9663 -70.5417 -4.57207 -64.5508 -3.65131 4.43126 TIMING: 4048800 CPU: 12856.6, 0.003168/step Wall: 12856.6, 0.003168/step, 0.837056 hours remaining, 240.808594 MB of memory in use. ENERGY: 4048800 4076.5355 20583.9875 14522.6721 248.0344 -203112.9355 2392.1788 0.0000 0.0000 52137.6176 -109151.9095 299.6356 -161289.5271 -108795.8913 299.9986 -208.9999 -180.6344 762731.2039 8.5457 8.3943 PRESSURE: 4049000 131.452 96.3818 76.4321 96.3806 0.0946121 36.2418 76.4333 36.2413 -265.726 GPRESSURE: 4049000 121.209 234.006 -35.9597 61.3213 82.2692 73.4253 235.841 64.1923 -251.385 PRESSAVG: 4049000 16.2203 -8.58381 6.29224 -8.58384 0.768985 15.8615 6.29219 15.8614 9.6647 GPRESSAVG: 4049000 17.8954 -5.74413 5.81582 -11.0413 0.647164 15.7377 5.91351 14.0811 8.46796 TIMING: 4049000 CPU: 12857.2, 0.0031732/step Wall: 12857.2, 0.0031732/step, 0.838254 hours remaining, 240.808594 MB of memory in use. ENERGY: 4049000 4024.3730 20498.8978 14507.5616 231.6479 -203419.3103 2682.1640 0.0000 0.0000 52211.3705 -109263.2955 300.0595 -161474.6660 -108902.3992 300.0985 -44.7265 -15.9689 763263.8901 8.8847 9.0035 PRESSURE: 4049200 -57.8356 -41.6644 -28.5206 -41.6644 -496.33 206.646 -28.5205 206.645 86.6637 GPRESSURE: 4049200 -11.1277 -58.651 -66.1982 65.1009 -497.038 211.044 -108.189 344.568 137.935 PRESSAVG: 4049200 22.7529 2.51691 -39.5621 2.51691 21.7594 -3.58981 -39.5621 -3.58978 12.9987 GPRESSAVG: 4049200 21.4512 0.281092 -39.8994 6.37781 21.9836 -2.72968 -39.2944 -4.45368 14.1737 TIMING: 4049200 CPU: 12857.8, 0.00313587/step Wall: 12857.8, 0.00313587/step, 0.828219 hours remaining, 240.808594 MB of memory in use. ENERGY: 4049200 3995.2105 20400.7153 14436.9212 242.0526 -202724.2651 2343.4905 0.0000 0.0000 52086.5924 -109219.2826 299.3424 -161305.8750 -108861.2698 299.1401 -155.8338 -123.4103 762138.8082 19.1703 19.2028 PRESSURE: 4049400 -13.2726 -41.9886 -20.51 -41.9893 147.538 -8.10309 -20.5094 -8.10282 -183.154 GPRESSURE: 4049400 -20.1482 -121.901 -9.77771 -139.205 117.579 57.215 13.1669 -3.34903 -78.9498 PRESSAVG: 4049400 -12.7634 -24.8992 15.0753 -24.8992 -14.236 34.2977 15.0753 34.2977 6.25698 GPRESSAVG: 4049400 -12.1133 -23.6765 13.7163 -25.4598 -14.3345 33.3823 16.4004 35.2805 5.92506 TIMING: 4049400 CPU: 12858.5, 0.00315024/step Wall: 12858.5, 0.00315024/step, 0.831838 hours remaining, 240.808594 MB of memory in use. ENERGY: 4049400 3947.3147 20460.2305 14464.4496 246.9644 -203274.2389 2501.4743 0.0000 0.0000 52059.9023 -109593.9031 299.1890 -161653.8053 -109232.0600 298.9491 -16.2960 6.1603 760233.4444 -6.9141 -6.8409 PRESSURE: 4049600 -152.487 -124.312 302.184 -124.312 216.514 -233.915 302.183 -233.916 -208.485 GPRESSURE: 4049600 -125.269 -85.5215 308.002 -84.5665 291.03 -228.296 229.951 -198.575 -219.462 PRESSAVG: 4049600 -14 -13.9337 7.87151 -13.9337 35.4454 1.7492 7.8715 1.74919 2.16812 GPRESSAVG: 4049600 -14.1706 -15.1276 10.2282 -13.7615 35.3299 0.587188 6.64656 3.85521 3.09283 TIMING: 4049600 CPU: 12859.1, 0.00314708/step Wall: 12859.1, 0.00314708/step, 0.83083 hours remaining, 240.808594 MB of memory in use. ENERGY: 4049600 3916.3728 20439.4652 14462.5887 258.5289 -203467.7463 2508.0260 0.0000 0.0000 52258.7551 -109624.0095 300.3318 -161882.7646 -109258.0106 298.7552 -48.1529 -17.9006 760771.2167 7.8712 8.0840 PRESSURE: 4049800 -36.549 84.1647 139.563 84.1653 -47.1554 11.4708 139.564 11.4692 94.5308 GPRESSURE: 4049800 12.6896 89.71 67.1936 108.141 42.9037 76.8845 -11.0954 -83.6895 37.6172 PRESSAVG: 4049800 -28.4711 -75.1449 3.26151 -75.1449 14.5909 -18.6159 3.26148 -18.6159 -2.89117 GPRESSAVG: 4049800 -28.9412 -73.9787 2.58686 -73.8501 14.6637 -17.5942 3.32989 -19.5295 -2.18352 TIMING: 4049800 CPU: 12859.7, 0.00314996/step Wall: 12859.7, 0.00314996/step, 0.831415 hours remaining, 240.808594 MB of memory in use. ENERGY: 4049800 3974.5944 20610.6737 14475.2050 228.0999 -203391.4625 2524.4113 0.0000 0.0000 52106.1023 -109472.3760 299.4545 -161578.4782 -109103.6362 299.0241 3.6088 31.0702 761440.1092 -5.5905 -5.4870 PRESSURE: 4050000 486.645 -31.414 -147.95 -31.4146 92.2506 132.692 -147.95 132.692 505.731 GPRESSURE: 4050000 493.3 -21.0141 -127.215 -53.2606 138.408 160.24 -85.4158 4.14683 514.351 PRESSAVG: 4050000 -16.2794 -61.4698 -54.7674 -61.4698 -3.79975 -11.288 -54.7675 -11.288 -3.33596 GPRESSAVG: 4050000 -14.5697 -63.2759 -56.2409 -62.0326 -3.89396 -11.3793 -53.4676 -13.4268 -4.86387 TIMING: 4050000 CPU: 12860.4, 0.00312814/step Wall: 12860.4, 0.00312814/step, 0.825483 hours remaining, 240.808594 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: 4050000 3809.5028 20460.7997 14513.2847 227.8326 -203563.4435 2687.7030 0.0000 0.0000 52224.1599 -109640.1608 300.1330 -161864.3207 -109289.2034 299.1253 361.5421 382.0195 761072.4493 -7.8050 -7.7759 PRESSURE: 4050200 -58.8671 -320.952 -109.096 -320.953 77.8713 -129.796 -109.095 -129.796 -46.1825 GPRESSURE: 4050200 75.4002 -324.569 -123.635 -280.04 -7.3932 -28.8637 -99.5199 -101.736 -17.7796 PRESSAVG: 4050200 -8.46228 -111.418 -0.263215 -111.418 -38.6868 9.7094 -0.263288 9.70937 -18.84 GPRESSAVG: 4050200 -9.75079 -109.268 0.531105 -111.964 -38.3304 10.3548 -1.67056 10.0251 -17.7341 TIMING: 4050200 CPU: 12861, 0.00313888/step Wall: 12861, 0.00313888/step, 0.828141 hours remaining, 240.808594 MB of memory in use. ENERGY: 4050200 3996.2726 20620.3799 14411.1433 247.2746 -203193.6537 2348.7083 0.0000 0.0000 51971.5014 -109598.3736 298.6809 -161569.8750 -109238.5745 299.4331 -9.0595 16.7425 761881.5468 -21.9963 -21.9384 PRESSURE: 4050400 332.498 97.5443 -98.8994 97.5449 302.486 -50.0464 -98.899 -50.046 160.633 GPRESSURE: 4050400 367.734 12.6655 -41.0351 8.96018 293.95 -109.475 2.14331 -74.0202 201.759 PRESSAVG: 4050400 16.4355 -82.6452 8.39714 -82.6451 11.4558 -18.7294 8.39707 -18.7294 -2.52826 GPRESSAVG: 4050400 16.455 -85.3312 7.85191 -80.528 11.7873 -18.5466 6.73549 -17.9835 -3.03922 TIMING: 4050400 CPU: 12861.6, 0.00314228/step Wall: 12861.6, 0.00314228/step, 0.828865 hours remaining, 240.808594 MB of memory in use. ENERGY: 4050400 3928.7476 20399.4622 14537.7185 233.2338 -203521.9350 2603.1832 0.0000 0.0000 52213.5103 -109606.0795 300.0718 -161819.5898 -109248.0392 299.0622 265.2059 287.8144 759873.4273 8.4544 8.4010 PRESSURE: 4050600 -47.5562 -370.944 30.2482 -370.944 -88.8696 -185.647 30.2485 -185.646 70.7318 GPRESSURE: 4050600 -16.4085 -316.84 54.0708 -396.834 -22.8879 -252.602 33.712 -182.167 84.5553 PRESSAVG: 4050600 12.8943 -49.1937 17.6085 -49.1937 -45.0344 -44.4668 17.6085 -44.4668 9.78853 GPRESSAVG: 4050600 13.8119 -47.341 18.065 -51.0482 -46.582 -45.195 20.6653 -45.1233 10.3524 TIMING: 4050600 CPU: 12862.2, 0.0031506/step Wall: 12862.2, 0.0031506/step, 0.830884 hours remaining, 240.808594 MB of memory in use. ENERGY: 4050600 3992.9945 20558.8516 14425.4544 257.0991 -203435.0171 2577.8672 0.0000 0.0000 51932.5080 -109690.2422 298.4568 -161622.7502 -109331.5276 299.0779 -21.8980 15.0863 762328.4334 -7.4505 -7.4726 PRESSURE: 4050800 -185.511 254.313 -193.505 254.313 -209.219 -29.5225 -193.504 -29.5228 -283.866 GPRESSURE: 4050800 -200.396 216.265 -233.967 151.317 -155.866 -7.98593 -166.702 -23.9167 -224.567 PRESSAVG: 4050800 -16.605 -59.1025 5.57707 -59.1026 -11.5493 1.67393 5.57707 1.67394 -21.3395 GPRESSAVG: 4050800 -18.3305 -60.268 5.63037 -57.767 -9.69637 2.31448 3.60517 2.36861 -21.8595 TIMING: 4050800 CPU: 12862.9, 0.00314392/step Wall: 12862.9, 0.00314392/step, 0.828946 hours remaining, 240.808594 MB of memory in use. ENERGY: 4050800 3997.8811 20518.0024 14579.8763 249.9609 -203523.5172 2458.9758 0.0000 0.0000 52006.2449 -109712.5759 298.8806 -161718.8208 -109347.5224 298.9246 -226.1985 -193.6097 761349.8006 -16.4979 -16.6288 PRESSURE: 4051000 -304.747 -82.1695 231.297 -82.169 174.014 263.802 231.297 263.803 349.676 GPRESSURE: 4051000 -242.378 80.0851 279.647 -112.97 123.577 334.067 99.1367 102.43 402.56 PRESSAVG: 4051000 -3.40346 -4.87954 -27.9214 -4.87961 -0.961246 -50.5497 -27.9213 -50.5497 19.7791 GPRESSAVG: 4051000 -2.04062 -3.74591 -27.884 -4.8482 -2.49484 -50.5939 -27.5146 -51.2707 20.2927 TIMING: 4051000 CPU: 12863.5, 0.00314033/step Wall: 12863.5, 0.00314033/step, 0.827825 hours remaining, 240.808594 MB of memory in use. ENERGY: 4051000 3989.2972 20496.6549 14549.1247 260.7542 -203298.7492 2574.7686 0.0000 0.0000 51977.3716 -109450.7779 298.7147 -161428.1496 -109081.5142 299.3616 72.9809 94.5864 762281.9455 5.1381 5.2524 PRESSURE: 4051200 -142.295 -135.685 -72.8223 -135.685 -116.312 -49.0676 -72.8227 -49.0684 -20.0246 GPRESSURE: 4051200 -116.517 -76.2553 -151.16 -45.4346 -32.7793 -74.5322 6.50895 -39.4763 -22.2626 PRESSAVG: 4051200 6.26098 -23.8972 4.3595 -23.8972 -10.0097 -42.0395 4.35945 -42.0395 3.17053 GPRESSAVG: 4051200 5.88288 -23.5278 5.06567 -26.6938 -8.79109 -43.0733 5.51399 -40.5053 2.56365 TIMING: 4051200 CPU: 12864.1, 0.00315509/step Wall: 12864.1, 0.00315509/step, 0.831542 hours remaining, 240.808594 MB of memory in use. ENERGY: 4051200 4011.9570 20497.4866 14548.3020 252.9948 -203754.1265 2806.8534 0.0000 0.0000 52194.7497 -109441.7830 299.9639 -161636.5327 -109092.3533 299.4053 -92.8772 -57.1863 759007.5871 -0.1927 -0.1149 PRESSURE: 4051400 -300.074 -107.736 -222.604 -107.737 101.234 141.533 -222.603 141.534 -78.3794 GPRESSURE: 4051400 -205.176 -132.66 -204.066 -86.0763 75.728 113.378 -267.433 154.917 -76.2909 PRESSAVG: 4051400 32.9037 -34.372 -73.965 -34.372 -13.7063 11.4737 -73.9649 11.4736 23.6642 GPRESSAVG: 4051400 33.523 -37.6093 -76.9186 -33.5422 -15.0163 12.0928 -73.9118 11.8316 23.9376 TIMING: 4051400 CPU: 12864.8, 0.00315649/step Wall: 12864.8, 0.00315649/step, 0.831736 hours remaining, 240.808594 MB of memory in use. ENERGY: 4051400 4039.9620 20463.2742 14529.4922 245.3380 -203360.7496 2569.5528 0.0000 0.0000 52102.2033 -109410.9271 299.4321 -161513.1304 -109060.7123 299.8965 -92.4066 -68.5796 760993.6086 14.2872 14.1481 PRESSURE: 4051600 119.518 42.2152 71.3341 42.2152 337.148 -50.1676 71.334 -50.1675 280.567 GPRESSURE: 4051600 115.18 1.02462 60.2869 48.6569 403.304 34.6816 68.8763 -45.337 281.526 PRESSAVG: 4051600 -15.0714 -57.6666 18.3473 -57.6666 40.0636 -30.2328 18.3472 -30.2328 -14.9465 GPRESSAVG: 4051600 -15.1128 -54.9093 22.205 -56.8878 39.5422 -28.7069 17.0811 -32.9941 -14.161 TIMING: 4051600 CPU: 12865.4, 0.00315204/step Wall: 12865.4, 0.00315204/step, 0.830388 hours remaining, 240.808594 MB of memory in use. ENERGY: 4051600 3989.6412 20726.5059 14541.2816 245.3373 -203957.9450 2979.9016 0.0000 0.0000 52300.7588 -109174.5185 300.5732 -161475.2773 -108809.9999 299.7079 245.7442 266.6700 760863.1204 3.3486 3.4228 PRESSURE: 4051800 -52.2045 -116.966 -179.434 -116.965 84.552 7.05541 -179.434 7.05607 -292.408 GPRESSURE: 4051800 -157.838 -40.7269 -234.383 -181.591 168.997 -18.8227 -201.828 -32.3527 -213.334 PRESSAVG: 4051800 9.57848 -63.0147 -29.0135 -63.0147 23.754 -44.4152 -29.0136 -44.4152 -19.9808 GPRESSAVG: 4051800 7.38833 -63.1319 -30.0628 -63.0151 25.2723 -46.3282 -29.1003 -43.0966 -19.9192 TIMING: 4051800 CPU: 12866, 0.00314541/step Wall: 12866, 0.00314541/step, 0.828465 hours remaining, 240.808594 MB of memory in use. ENERGY: 4051800 4012.7227 20626.2601 14469.1679 257.1532 -203180.9549 2390.1005 0.0000 0.0000 52176.0628 -109249.4876 299.8566 -161425.5504 -108884.9737 300.1699 -86.6868 -67.3917 760689.6489 4.4506 4.2471 PRESSURE: 4052000 105.537 54.4732 -63.9957 54.473 30.0349 120.921 -63.996 120.92 -1.39496 GPRESSURE: 4052000 138.448 -6.37194 -30.2182 9.78611 30.8695 132.594 -120.12 110.04 46.5526 PRESSAVG: 4052000 2.18158 -40.6324 -68.7174 -40.6324 -4.07068 5.89 -68.7174 5.89002 -14.4363 GPRESSAVG: 4052000 3.42357 -39.374 -68.173 -43.2545 -6.00362 5.50331 -68.953 4.7164 -14.1739 TIMING: 4052000 CPU: 12866.7, 0.00314718/step Wall: 12866.7, 0.00314718/step, 0.828759 hours remaining, 240.808594 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: 4052000 3938.5880 20578.6338 14518.0682 236.4710 -203423.4864 2488.2531 0.0000 0.0000 52300.7117 -109362.7607 300.5729 -161663.4724 -108991.4406 299.8800 44.7255 71.9566 761013.7913 -5.4418 -5.5847 PRESSURE: 4052200 -178.576 -68.3598 -142.403 -68.3598 81.7335 145.281 -142.403 145.282 201.389 GPRESSURE: 4052200 -146.551 -97.1074 -112.595 -84.6292 108.111 130.772 -80.4374 112.18 230.655 PRESSAVG: 4052200 0.972282 -70.8858 -23.8082 -70.8858 -7.12175 12.4554 -23.8081 12.4555 4.17098 GPRESSAVG: 4052200 0.670684 -73.1386 -25.6392 -69.1619 -4.95162 15.4194 -22.986 12.2217 2.70589 TIMING: 4052200 CPU: 12867.3, 0.00313904/step Wall: 12867.3, 0.00313904/step, 0.826438 hours remaining, 240.808594 MB of memory in use. ENERGY: 4052200 4004.1723 20613.0741 14476.8033 252.5184 -203618.1049 2719.8864 0.0000 0.0000 52252.0945 -109299.5560 300.2935 -161551.6504 -108947.3264 300.2432 34.8488 64.0718 761234.9369 -0.6595 -0.5250 LDB: ============= START OF LOAD BALANCING ============== 12879.7 LDB: ============== END OF LOAD BALANCING =============== 12879.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12879.7 LDB: ============= START OF LOAD BALANCING ============== 12880 LDB: Largest compute 7056 load 0.036763 is 18.8% of average load 0.195370 LDB: Average compute 0.004404 is 2.3% of average load 0.195370 LDB: TIME 12880 LOAD: AVG 0.19537 MAX 0.217132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 12880 LOAD: AVG 0.19537 MAX 0.217132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 12880 LOAD: AVG 0.19537 MAX 0.217132 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 12880.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12880.1 PRESSURE: 4052400 -21.1848 -69.8905 38.3112 -69.8904 -277.522 -38.9206 38.3116 -38.9208 -270.64 GPRESSURE: 4052400 -22.0543 -104.233 52.6262 -27.0239 -262.614 -106.071 59.6852 77.3455 -199.681 PRESSAVG: 4052400 5.96839 -9.41296 -35.3407 -9.41301 -2.24547 31.673 -35.3407 31.673 11.4883 GPRESSAVG: 4052400 6.34943 -8.54086 -33.2494 -6.35779 -4.81659 30.0208 -34.536 32.9374 13.138 TIMING: 4052400 CPU: 12867.9, 0.00321227/step Wall: 12867.9, 0.00321227/step, 0.84554 hours remaining, 240.093750 MB of memory in use. ENERGY: 4052400 3993.5162 20721.6785 14466.8958 235.6785 -203266.5813 2464.4767 0.0000 0.0000 51945.1531 -109439.1826 298.5295 -161384.3356 -109084.6008 299.8428 -189.7826 -161.4498 762933.9688 5.0704 4.8903 PRESSURE: 4052600 58.6723 54.5127 -261.929 54.5122 142.194 4.95874 -261.929 4.95766 625.285 GPRESSURE: 4052600 122.773 106.175 -314.522 103.177 227.237 45.764 -198.646 74.2907 555.867 PRESSAVG: 4052600 29.6063 -13.687 -44.8821 -13.687 -18.6959 -35.0203 -44.8821 -35.0203 11.0581 GPRESSAVG: 4052600 30.1806 -14.4414 -44.9625 -17.4627 -17.2543 -33.6411 -46.0414 -33.9654 9.10557 TIMING: 4052600 CPU: 12868.5, 0.00312629/step Wall: 12868.5, 0.00312629/step, 0.822736 hours remaining, 240.296875 MB of memory in use. ENERGY: 4052600 3947.0561 20590.6235 14516.0643 252.1805 -203741.7806 2924.6799 0.0000 0.0000 51962.5121 -109548.6642 298.6293 -161511.1763 -109189.9947 299.6401 275.3837 301.9587 761428.6611 7.3228 7.3440 PRESSURE: 4052800 -121.915 -135.273 -95.0311 -135.273 78.0647 195.694 -95.0303 195.695 -15.6852 GPRESSURE: 4052800 -76.4713 -205.09 -62.636 4.03918 73.2467 159.846 -2.26764 121.53 31.4421 PRESSAVG: 4052800 49.9678 -25.4379 -31.6213 -25.438 -20.4105 -62.6713 -31.6213 -62.6714 -34.3646 GPRESSAVG: 4052800 49.8678 -24.6347 -33.0871 -24.2171 -21.2691 -62.3218 -32.7394 -64.288 -33.4301 TIMING: 4052800 CPU: 12869.2, 0.00315437/step Wall: 12869.2, 0.00315437/step, 0.82995 hours remaining, 240.296875 MB of memory in use. ENERGY: 4052800 4000.0065 20362.3049 14548.2943 250.5473 -203438.5607 2567.8896 0.0000 0.0000 52133.5495 -109575.9685 299.6122 -161709.5181 -109210.9451 299.4219 -19.8451 9.4058 762027.9499 -1.6024 -1.6105 PRESSURE: 4053000 -438.004 -237.656 -31.1435 -237.656 -169.935 32.6703 -31.1433 32.6717 -383.604 GPRESSURE: 4053000 -360.348 -296.148 -117.231 -255.337 -146.744 44.5596 -125.994 -43.8727 -409.528 PRESSAVG: 4053000 11.0632 -18.3807 1.93113 -18.3808 -16.9681 -14.0733 1.93118 -14.0734 9.02033 GPRESSAVG: 4053000 10.255 -19.4128 3.14195 -16.917 -15.7684 -17.0679 1.91138 -13.0191 8.5956 TIMING: 4053000 CPU: 12869.8, 0.00315532/step Wall: 12869.8, 0.00315532/step, 0.830024 hours remaining, 240.296875 MB of memory in use. ENERGY: 4053000 4021.8855 20472.1374 14505.5707 239.8924 -203312.1775 2477.3957 0.0000 0.0000 51992.1269 -109603.1689 298.7995 -161595.2958 -109239.3277 299.2244 -330.5143 -305.5401 763776.5586 1.0385 1.0274 PRESSURE: 4053200 -83.8326 -70.493 200.747 -70.4931 -47.3007 -76.4997 200.748 -76.5005 -119.824 GPRESSURE: 4053200 -69.7948 -104.3 188.562 -161.342 37.9447 -33.0093 172.521 -8.0609 -128.698 PRESSAVG: 4053200 32.5074 -30.2707 -18.0168 -30.2707 -1.87363 37.5103 -18.0169 37.5102 -9.76601 GPRESSAVG: 4053200 32.6852 -28.9384 -19.6979 -33.0081 -2.19531 38.0516 -15.5227 36.4416 -9.63625 TIMING: 4053200 CPU: 12870.4, 0.00313234/step Wall: 12870.4, 0.00313234/step, 0.823807 hours remaining, 240.296875 MB of memory in use. ENERGY: 4053200 4020.7046 20455.9913 14489.3162 248.1304 -203526.0461 2749.7025 0.0000 0.0000 52154.9127 -109407.2884 299.7350 -161562.2011 -109042.5819 299.0485 -83.6524 -53.5161 763648.4092 6.9559 6.9512 PRESSURE: 4053400 89.399 186.948 -54.9079 186.947 40.3458 -178.755 -54.9085 -178.755 453.125 GPRESSURE: 4053400 66.7174 138.404 -113.867 269.698 136.624 -162.061 -98.7668 -128.648 475.758 PRESSAVG: 4053400 18.4678 -52.5225 50.4409 -52.5225 14.7903 18.06 50.441 18.0601 -28.0569 GPRESSAVG: 4053400 17.7423 -51.9909 49.7352 -52.7983 15.8427 17.7829 48.661 22.6702 -27.9846 TIMING: 4053400 CPU: 12871.1, 0.00314898/step Wall: 12871.1, 0.00314898/step, 0.828007 hours remaining, 240.296875 MB of memory in use. ENERGY: 4053400 3925.2087 20582.1940 14505.7360 244.4025 -203214.8375 2592.1255 0.0000 0.0000 51995.7806 -109369.3902 298.8205 -161365.1708 -109009.0931 299.2662 194.2901 226.3663 762200.5950 1.7337 1.8668 PRESSURE: 4053600 104.553 -15.5686 -66.1799 -15.569 -325.385 17.9065 -66.1798 17.9068 -436.861 GPRESSURE: 4053600 122.84 41.0896 -106.388 -60.6029 -285.452 -31.4542 133.761 15.6709 -406.467 PRESSAVG: 4053600 34.8701 3.65532 10.0302 3.65538 -56.4063 -48.5581 10.0302 -48.558 -1.36691 GPRESSAVG: 4053600 33.9699 4.64236 9.3975 4.42301 -57.1923 -48.8552 10.9389 -52.9102 -0.467552 TIMING: 4053600 CPU: 12871.7, 0.00316994/step Wall: 12871.7, 0.00316994/step, 0.833343 hours remaining, 240.296875 MB of memory in use. ENERGY: 4053600 4002.8347 20357.4628 14459.4866 240.7454 -203061.9320 2355.5277 0.0000 0.0000 52078.6959 -109567.1790 299.2970 -161645.8749 -109194.8011 298.7323 -219.2307 -189.6930 763117.9515 -7.6344 -7.8967 PRESSURE: 4053800 9.25932 74.8881 -148.141 74.8881 -303.823 147.007 -148.141 147.007 199.114 GPRESSURE: 4053800 56.5262 3.10515 -66.35 122.011 -345.407 87.0234 -99.3797 195.073 279.164 PRESSAVG: 4053800 5.29342 5.97706 17.1279 5.97712 -3.28743 -49.4413 17.1279 -49.4413 -12.0461 GPRESSAVG: 4053800 7.20152 2.81351 18.1894 8.34385 -4.02546 -49.1201 16.1317 -48.6862 -13.2455 TIMING: 4053800 CPU: 12872.3, 0.00318011/step Wall: 12872.3, 0.00318011/step, 0.835838 hours remaining, 240.296875 MB of memory in use. ENERGY: 4053800 3948.5721 20509.5536 14530.7671 248.1775 -203205.7697 2517.6636 0.0000 0.0000 51873.7257 -109577.3100 298.1190 -161451.0357 -109214.2701 298.8423 -31.8166 -3.2389 763070.5369 -3.3467 -3.3565 PRESSURE: 4054000 -128.789 171.584 103.011 171.584 5.79472 -230.279 103.012 -230.279 14.8055 GPRESSURE: 4054000 -107.665 213.162 101.379 159.156 27.5401 -256.841 -57.6018 -138.209 62.813 PRESSAVG: 4054000 64.0908 -61.367 -1.54462 -61.367 -88.7753 -37.5252 -1.54461 -37.5252 -16.6294 GPRESSAVG: 4054000 63.8866 -59.2202 -0.767638 -63.7114 -88.465 -37.2371 -2.41051 -38.2982 -16.2981 TIMING: 4054000 CPU: 12873, 0.00316572/step Wall: 12873, 0.00316572/step, 0.83188 hours remaining, 240.296875 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: 4054000 3966.2363 20475.6006 14521.9427 261.0640 -203526.1207 2712.9597 0.0000 0.0000 52101.4920 -109486.8255 299.4280 -161588.3174 -109119.4880 299.1007 -36.0628 -5.7707 762482.7336 -13.7713 -13.6255 PRESSURE: 4054200 -186.418 -133.768 13.3301 -133.768 175.873 105.987 13.3304 105.989 -7.61145 GPRESSURE: 4054200 -251.199 -2.69459 55.5635 -116.956 317.809 86.966 -1.62404 170.609 13.707 PRESSAVG: 4054200 6.87485 -7.07969 8.58903 -7.07969 -7.53737 -9.91275 8.58899 -9.9126 -0.364852 GPRESSAVG: 4054200 5.32382 -8.11565 7.42298 -7.55992 -6.94037 -7.49151 8.94227 -10.5713 0.428448 TIMING: 4054200 CPU: 12873.6, 0.00315529/step Wall: 12873.6, 0.00315529/step, 0.828965 hours remaining, 240.296875 MB of memory in use. ENERGY: 4054200 3973.9760 20501.1414 14528.2470 259.8218 -203547.0263 2632.7062 0.0000 0.0000 52255.2004 -109395.9335 300.3114 -161651.1339 -109036.7155 299.4153 -6.0522 26.7726 761734.2610 -0.3425 -0.3960 PRESSURE: 4054400 -242.716 -12.3126 99.9634 -12.3124 -71.0181 22.3621 99.9639 22.3619 -92.997 GPRESSURE: 4054400 -232.947 75.4396 73.3232 -77.5769 4.96643 -9.00071 84.69 28.6811 -76.3228 PRESSAVG: 4054400 20.9342 -61.132 61.3152 -61.132 -35.4098 55.8888 61.3152 55.8888 -2.48079 GPRESSAVG: 4054400 22.5821 -62.2884 61.866 -59.8884 -35.6499 52.7087 62.1039 58.0024 -3.65483 TIMING: 4054400 CPU: 12874.2, 0.00315811/step Wall: 12874.2, 0.00315811/step, 0.829529 hours remaining, 240.296875 MB of memory in use. ENERGY: 4054400 3993.3188 20347.3296 14484.9122 244.7468 -203197.5604 2362.8319 0.0000 0.0000 52335.8458 -109428.5753 300.7748 -161764.4211 -109064.8133 299.3459 -135.5770 -101.4345 762198.2250 -5.6521 -5.5742 PRESSURE: 4054600 435.345 -202.187 183.018 -202.186 -206.205 364.593 183.018 364.592 5.18014 GPRESSURE: 4054600 428.399 -151.015 65.267 -81.4709 -114.594 296.368 293.198 394.205 33.7334 PRESSAVG: 4054600 32.5255 -38.2652 42.5521 -38.2652 11.6804 24.9471 42.5521 24.9471 11.4649 GPRESSAVG: 4054600 30.9232 -35.6035 41.8066 -37.5014 11.9769 25.846 43.2331 22.3897 12.5413 TIMING: 4054600 CPU: 12874.9, 0.00316386/step Wall: 12874.9, 0.00316386/step, 0.830866 hours remaining, 240.296875 MB of memory in use. ENERGY: 4054600 4022.4120 20493.3263 14513.2025 253.4502 -203237.1558 2583.4845 0.0000 0.0000 51928.9573 -109442.3229 298.4364 -161371.2802 -109082.9149 299.9765 78.1068 115.8461 761843.9499 18.5569 18.4805 PRESSURE: 4054800 361.035 -103.28 -277.193 -103.28 -152.332 -278.706 -277.193 -278.706 182.272 GPRESSURE: 4054800 420.684 -73.1257 -330.631 -180.287 -110.731 -343.689 -172.448 -160.201 173.122 PRESSAVG: 4054800 43.4148 -32.4289 -0.111922 -32.4289 -13.149 -42.2594 -0.111854 -42.2595 -3.99837 GPRESSAVG: 4054800 44.6199 -32.8992 0.485744 -34.2258 -13.9002 -41.2364 0.661947 -40.3026 -4.25159 TIMING: 4054800 CPU: 12875.5, 0.00316675/step Wall: 12875.5, 0.00316675/step, 0.831447 hours remaining, 240.296875 MB of memory in use. ENERGY: 4054800 3948.5453 20351.4399 14547.2368 232.1600 -203554.3563 2615.0009 0.0000 0.0000 52273.1155 -109586.8580 300.4143 -161859.9734 -109222.3428 298.9659 130.3251 161.0249 760067.6710 8.7558 8.8227 PRESSURE: 4055000 -247.429 -38.6973 205.63 -38.6965 -205.125 -89.5179 205.629 -89.5202 -383.547 GPRESSURE: 4055000 -128.062 -169.285 264.9 -33.082 -317.712 -157.268 61.2138 -5.16122 -313.428 PRESSAVG: 4055000 6.19677 -69.0401 -50.1489 -69.0401 -63.2717 -3.53944 -50.1489 -3.53948 -30.2438 GPRESSAVG: 4055000 5.63613 -71.0673 -48.2428 -67.8952 -63.3566 -4.43181 -52.8439 -3.70473 -29.8754 TIMING: 4055000 CPU: 12876.1, 0.00315928/step Wall: 12876.1, 0.00315928/step, 0.829311 hours remaining, 240.296875 MB of memory in use. ENERGY: 4055000 3950.9845 20506.3739 14454.7045 236.1800 -203275.4616 2112.5489 0.0000 0.0000 52210.7451 -109803.9248 300.0559 -162014.6699 -109436.4459 298.7288 -278.7005 -253.0671 761103.6328 -29.1062 -29.1986 PRESSURE: 4055200 -123.659 28.063 112.538 28.0643 -70.793 268.182 112.539 268.183 -72.6282 GPRESSURE: 4055200 -23.629 -3.65062 -59.5923 -40.4788 -107.687 214.37 292.811 275.245 -56.2129 PRESSAVG: 4055200 -17.5248 -47.7255 -0.461968 -47.7255 4.26198 2.03717 -0.461979 2.03725 16.2244 GPRESSAVG: 4055200 -17.5267 -46.4894 -2.49501 -48.2267 4.64513 4.03568 2.25903 2.6877 16.1953 TIMING: 4055200 CPU: 12876.8, 0.00315706/step Wall: 12876.8, 0.00315706/step, 0.828552 hours remaining, 240.296875 MB of memory in use. ENERGY: 4055200 3974.1231 20524.9237 14515.9139 248.9010 -203195.1855 2120.8527 0.0000 0.0000 51747.8887 -110062.5824 297.3958 -161810.4710 -109701.5471 298.3270 -89.0266 -62.5097 760557.9841 0.9872 1.1046 PRESSURE: 4055400 -146.268 171.17 -72.9008 171.171 -184.709 -68.3813 -72.9008 -68.381 -121.606 GPRESSURE: 4055400 -138.212 187.454 -63.7407 154.091 -69.8025 -83.0023 -12.1807 -59.5749 -175.026 PRESSAVG: 4055400 -35.2184 56.2243 4.47789 56.2242 35.884 46.5508 4.47791 46.5508 -18.3372 GPRESSAVG: 4055400 -34.5452 55.6792 5.57853 55.8674 36.1144 44.1707 4.09099 47.5555 -19.2424 TIMING: 4055400 CPU: 12877.4, 0.00315571/step Wall: 12877.4, 0.00315571/step, 0.828022 hours remaining, 240.296875 MB of memory in use. ENERGY: 4055400 4008.7182 20531.4966 14529.8205 241.4874 -203405.5937 2492.4002 0.0000 0.0000 51946.2171 -109655.4537 298.5356 -161601.6709 -109296.7024 298.7055 -150.8609 -127.6802 761751.2020 -5.8905 -5.8911 PRESSURE: 4055600 -373.495 -223.739 154.277 -223.74 152.563 -124.493 154.277 -124.494 -125.997 GPRESSURE: 4055600 -344.95 -20.7592 108.962 -272.24 126.037 -79.4796 157.768 -111.871 -33.3166 PRESSAVG: 4055600 29.0257 -1.21586 32.9746 -1.21585 11.1547 37.7395 32.9746 37.7394 -29.6888 GPRESSAVG: 4055600 28.5957 0.174338 30.9879 -1.13505 10.8795 39.1625 32.1091 35.9616 -29.332 TIMING: 4055600 CPU: 12878, 0.00315869/step Wall: 12878, 0.00315869/step, 0.82863 hours remaining, 240.296875 MB of memory in use. ENERGY: 4055600 3995.6044 20460.1226 14511.5822 248.3516 -203305.0325 2529.4732 0.0000 0.0000 51915.0717 -109644.8268 298.3566 -161559.8985 -109295.2819 299.2063 -115.6430 -84.0766 762845.6544 3.4972 3.3811 PRESSURE: 4055800 246.26 25.2767 25.2184 25.2761 223.479 52.5026 25.2184 52.5018 -178.717 GPRESSURE: 4055800 344.866 23.7583 70.872 0.197688 180.358 86.7117 69.7616 154.554 -149.737 PRESSAVG: 4055800 2.45585 9.49111 -16.3274 9.49113 -13.1518 5.05366 -16.3274 5.05361 -9.7028 GPRESSAVG: 4055800 2.08883 7.822 -14.5413 8.43304 -13.6814 3.32305 -17.2148 6.63392 -8.62158 TIMING: 4055800 CPU: 12878.7, 0.00316212/step Wall: 12878.7, 0.00316212/step, 0.829354 hours remaining, 240.296875 MB of memory in use. ENERGY: 4055800 3990.5360 20673.7265 14494.1762 238.9812 -203356.3605 2462.7426 0.0000 0.0000 52068.3466 -109427.8514 299.2375 -161496.1980 -109070.0565 299.4612 97.0073 125.1623 762461.2577 -6.7996 -6.7381 PRESSURE: 4056000 470.464 64.0294 89.6672 64.0294 157.447 -63.3367 89.6666 -63.337 254.574 GPRESSURE: 4056000 461.788 -6.9513 139.93 68.282 205.353 7.40991 159.723 -17.0178 287.592 PRESSAVG: 4056000 6.14295 23.746 56.4384 23.746 5.40804 6.01976 56.4383 6.01973 -1.95643 GPRESSAVG: 4056000 5.64054 23.368 55.4464 25.1853 4.93977 7.1419 58.0324 4.81556 -1.34556 TIMING: 4056000 CPU: 12879.3, 0.00315039/step Wall: 12879.3, 0.00315039/step, 0.826102 hours remaining, 240.296875 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: 4056000 3981.8445 20515.3771 14481.7356 267.3133 -203199.1085 2616.0267 0.0000 0.0000 51775.7244 -109561.0870 297.5558 -161336.8114 -109207.3987 299.7467 294.1616 318.2443 760690.4193 3.1982 3.0783 PRESSURE: 4056200 -306.209 95.2204 51.3159 95.2201 -288.973 -27.4139 51.3166 -27.4136 146.944 GPRESSURE: 4056200 -262.599 198.397 102.06 69.7139 -185.322 -26.1272 142.52 19.335 78.1835 PRESSAVG: 4056200 -21.029 -3.38759 -11.5663 -3.3876 26.8272 -5.89781 -11.5662 -5.89782 12.0643 GPRESSAVG: 4056200 -20.7282 -3.25855 -9.29079 -3.3882 27.0956 -3.67752 -12.6523 -7.23642 11.2046 TIMING: 4056200 CPU: 12879.9, 0.00315794/step Wall: 12879.9, 0.00315794/step, 0.827907 hours remaining, 240.296875 MB of memory in use. ENERGY: 4056200 3971.0112 20644.0411 14543.4586 260.1670 -203771.9695 2742.0673 0.0000 0.0000 51941.6696 -109669.5547 298.5095 -161611.2244 -109303.5033 299.1242 -149.4124 -123.2455 761037.1009 5.9542 5.8573 LDB: ============= START OF LOAD BALANCING ============== 12892.4 LDB: ============== END OF LOAD BALANCING =============== 12892.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12892.4 LDB: ============= START OF LOAD BALANCING ============== 12892.7 LDB: Largest compute 7056 load 0.037222 is 19.1% of average load 0.195383 LDB: Average compute 0.004410 is 2.3% of average load 0.195383 LDB: TIME 12892.7 LOAD: AVG 0.195383 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 12892.7 LOAD: AVG 0.195383 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.863 MB LDB: TIME 12892.7 LOAD: AVG 0.195383 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.863 MB LDB: ============== END OF LOAD BALANCING =============== 12892.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12892.7 PRESSURE: 4056400 156.881 -171.135 358.965 -171.134 96.6199 177.512 358.964 177.512 -168.941 GPRESSURE: 4056400 96.8752 -49.4879 382.494 -149.487 100.875 123.348 417.441 163.063 -39.6112 PRESSAVG: 4056400 -35.7458 -26.0861 38.5029 -26.0861 24.806 -21.7941 38.5029 -21.794 -3.33403 GPRESSAVG: 4056400 -34.5221 -23.0234 37.177 -26.7362 25.0067 -25.7045 40.676 -19.7385 -4.62822 TIMING: 4056400 CPU: 12880.6, 0.00321678/step Wall: 12880.6, 0.00321678/step, 0.843155 hours remaining, 240.550781 MB of memory in use. ENERGY: 4056400 3957.2273 20485.2831 14485.9437 255.9495 -203679.7114 2800.9856 0.0000 0.0000 51781.8440 -109912.4782 297.5910 -161694.3222 -109551.3672 298.7383 28.1865 52.7128 759984.9185 -4.7579 -4.7145 PRESSURE: 4056600 -438.531 25.1585 -32.9056 25.1595 108.958 211.94 -32.9054 211.939 139.365 GPRESSURE: 4056600 -320.947 134.858 60.118 3.60582 78.6987 214.432 -35.5042 139.299 139.742 PRESSAVG: 4056600 3.27393 37.8864 10.0706 37.8864 25.0784 -10.8025 10.0707 -10.8025 -5.74041 GPRESSAVG: 4056600 1.64768 36.5454 10.4411 37.732 24.2824 -9.34928 8.31395 -11.1594 -3.23143 TIMING: 4056600 CPU: 12881.2, 0.00314812/step Wall: 12881.2, 0.00314812/step, 0.824982 hours remaining, 240.550781 MB of memory in use. ENERGY: 4056600 4012.8667 20481.6606 14515.6338 255.2191 -203370.4499 2507.2317 0.0000 0.0000 52146.5823 -109451.2558 299.6871 -161597.8381 -109087.8977 299.0068 -63.4028 -34.1686 761109.7947 7.5373 7.5662 PRESSURE: 4056800 -86.2772 -14.0139 65.4309 -14.0136 -568.263 -236.701 65.4312 -236.701 452.124 GPRESSURE: 4056800 -65.5018 44.8812 17.119 93.0443 -469.435 -108.783 74.4455 -339.942 422.505 PRESSAVG: 4056800 2.4367 -18.5157 28.3724 -18.5157 0.389297 40.5071 28.3724 40.5071 12.7096 GPRESSAVG: 4056800 3.59552 -18.8479 27.3791 -15.829 0.719163 42.3672 29.3493 38.8351 10.9948 TIMING: 4056800 CPU: 12881.8, 0.00314176/step Wall: 12881.8, 0.00314176/step, 0.823141 hours remaining, 240.550781 MB of memory in use. ENERGY: 4056800 3960.6134 20569.7810 14532.0893 258.4672 -203535.1954 2718.2019 0.0000 0.0000 52091.6249 -109404.4176 299.3713 -161496.0425 -109040.3174 299.6527 -67.4723 -37.4774 763030.6912 5.1785 5.1032 PRESSURE: 4057000 -402.606 12.2397 41.1555 12.2398 -44.7049 -110.113 41.1544 -110.113 221.87 GPRESSURE: 4057000 -347.381 19.026 76.6715 19.2276 -21.7088 -155.144 46.8345 -47.8389 228.431 PRESSAVG: 4057000 -11.1908 -84.9808 -9.75144 -84.9808 20.5386 -7.33939 -9.75153 -7.33947 17.7186 GPRESSAVG: 4057000 -12.0932 -86.9305 -8.35772 -87.2794 20.9112 -8.34119 -9.15661 -6.58855 17.5877 TIMING: 4057000 CPU: 12882.4, 0.00315433/step Wall: 12882.4, 0.00315433/step, 0.826258 hours remaining, 240.550781 MB of memory in use. ENERGY: 4057000 3996.6907 20445.8927 14521.2072 241.1549 -202867.1447 2219.1021 0.0000 0.0000 52000.2897 -109442.8074 298.8464 -161443.0971 -109077.5103 299.5424 -75.1469 -46.8863 761713.2755 9.0222 8.8019 PRESSURE: 4057200 94.1914 110.691 -13.7459 110.691 45.2441 -89.0795 -13.7455 -89.0799 -136.255 GPRESSURE: 4057200 71.6243 168.167 -49.5024 92.6143 61.0747 -82.2265 29.4911 -25.7692 -42.676 PRESSAVG: 4057200 67.5114 -26.529 -38.2703 -26.529 -60.1795 -7.1669 -38.2702 -7.16691 -2.26521 GPRESSAVG: 4057200 66.529 -26.1023 -40.6385 -26.4647 -60.2719 -7.33989 -38.1424 -6.94426 -1.49128 TIMING: 4057200 CPU: 12883.1, 0.00315005/step Wall: 12883.1, 0.00315006/step, 0.824965 hours remaining, 240.550781 MB of memory in use. ENERGY: 4057200 4077.9784 20765.9364 14498.0071 242.7134 -203829.0485 2644.1558 0.0000 0.0000 52250.0824 -109350.1749 300.2819 -161600.2574 -108984.0742 299.6145 1.0601 30.0077 760756.4939 1.6889 1.5886 PRESSURE: 4057400 154.097 108.226 -156.772 108.224 -49.4811 -90.4724 -156.772 -90.4723 618.362 GPRESSURE: 4057400 262.491 109.193 -109.626 25.2296 -9.36055 -77.9971 25.5876 -83.819 531.668 PRESSAVG: 4057400 -32.4673 12.5144 11.1667 12.5144 -10.2562 -8.47922 11.1666 -8.47924 2.32997 GPRESSAVG: 4057400 -32.0857 13.0943 12.3836 14.706 -10.9168 -8.91046 10.7181 -8.63433 2.41121 TIMING: 4057400 CPU: 12883.7, 0.00313191/step Wall: 12883.7, 0.00313191/step, 0.820039 hours remaining, 240.550781 MB of memory in use. ENERGY: 4057400 3986.6788 20536.3070 14401.7313 242.8434 -203489.3515 2758.1047 0.0000 0.0000 51997.1565 -109566.5297 298.8284 -161563.6862 -109201.8272 299.0151 240.9926 261.5996 761989.7055 -13.4645 -13.5304 PRESSURE: 4057600 -176.274 -126.913 -122.7 -126.913 -301.271 -147.636 -122.7 -147.637 69.9297 GPRESSURE: 4057600 -101.929 -162.862 -106.578 -97.5901 -328.492 -66.2118 -215.845 -208.691 85.9714 PRESSAVG: 4057600 34.4257 -12.7468 2.59072 -12.7469 6.59258 -3.0228 2.59077 -3.0228 -16.1975 GPRESSAVG: 4057600 35.0747 -13.0212 3.12882 -14.2176 6.02702 -2.18145 0.904687 -0.986015 -16.6122 TIMING: 4057600 CPU: 12884.3, 0.00311584/step Wall: 12884.3, 0.00311584/step, 0.815659 hours remaining, 240.550781 MB of memory in use. ENERGY: 4057600 4076.9122 20502.8153 14542.2829 235.2357 -203188.8810 2341.0831 0.0000 0.0000 52149.9669 -109340.5849 299.7066 -161490.5518 -108970.9610 299.6858 -135.8717 -114.8167 762407.3360 8.2736 8.1631 PRESSURE: 4057800 -334.19 27.8651 -79.9196 27.8654 25.9692 92.0176 -79.9193 92.0175 -147.604 GPRESSURE: 4057800 -251.389 -25.9945 -49.8184 28.4099 59.2863 150.911 -53.1703 51.9733 -190.51 PRESSAVG: 4057800 -6.15838 -15.5784 -4.32265 -15.5784 -4.36953 -16.3508 -4.3226 -16.3509 7.16969 GPRESSAVG: 4057800 -7.55969 -14.3324 -2.55527 -16.2547 -2.83183 -16.6724 -4.17643 -17.0511 7.4171 TIMING: 4057800 CPU: 12885, 0.00312949/step Wall: 12885, 0.00312948/step, 0.819056 hours remaining, 240.550781 MB of memory in use. ENERGY: 4057800 4008.0320 20461.1396 14513.6096 231.4325 -202911.4037 2150.7964 0.0000 0.0000 52244.2290 -109302.1646 300.2483 -161546.3936 -108928.6848 299.6733 -151.9414 -127.5373 761571.3293 -1.1194 -0.9915 PRESSURE: 4058000 127.44 -61.9138 150.986 -61.9133 214.413 -220.979 150.985 -220.981 401.969 GPRESSURE: 4058000 221.531 -154.271 146.56 -105.247 272.289 -202.785 108.227 -154.43 306.489 PRESSAVG: 4058000 0.796423 10.9449 -66.6383 10.9449 20.702 -32.1236 -66.6384 -32.1236 18.0233 GPRESSAVG: 4058000 2.59975 9.72944 -67.9441 13.0706 19.5589 -31.2207 -66.4157 -31.9419 17.819 TIMING: 4058000 CPU: 12885.6, 0.0031272/step Wall: 12885.6, 0.0031272/step, 0.818285 hours remaining, 240.550781 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: 4058000 4002.2223 20598.4735 14481.5843 243.5960 -203868.8121 2766.2472 0.0000 0.0000 52328.9555 -109447.7331 300.7352 -161776.6887 -109088.8391 299.3702 247.9406 266.7697 759608.4230 13.1739 13.3259 PRESSURE: 4058200 121.44 250.08 287.965 250.08 44.2116 161.815 287.964 161.814 -92.6638 GPRESSURE: 4058200 228.365 241.994 333.275 210.288 -31.6284 184.084 213.139 120.09 -56.3867 PRESSAVG: 4058200 1.0888 15.9574 31.2905 15.9574 -38.3908 24.3854 31.2905 24.3854 10.2666 GPRESSAVG: 4058200 0.687716 16.3517 31.9827 14.4508 -39.0355 24.6821 32.7208 21.4605 11.3997 TIMING: 4058200 CPU: 12886.2, 0.00311105/step Wall: 12886.2, 0.00311105/step, 0.813885 hours remaining, 240.550781 MB of memory in use. ENERGY: 4058200 4047.2323 20584.6421 14450.6686 239.7048 -203093.1023 2317.3783 0.0000 0.0000 52014.9715 -109438.5047 298.9308 -161453.4762 -109075.2985 299.5518 24.3294 46.7833 760142.2248 -9.0118 -8.9827 PRESSURE: 4058400 -138.942 19.8598 121.337 19.8597 -180.442 -23.6482 121.337 -23.6493 -194.646 GPRESSURE: 4058400 -116.878 -60.9759 130.286 -14.4645 -100.418 -7.50929 25.4759 5.44367 -200.109 PRESSAVG: 4058400 24.4465 1.04797 70.4887 1.04799 -31.795 -51.5221 70.4887 -51.5221 -14.3981 GPRESSAVG: 4058400 24.6253 0.996367 70.639 1.60574 -31.1403 -52.5301 67.6965 -48.6284 -15.5684 TIMING: 4058400 CPU: 12886.8, 0.00311661/step Wall: 12886.8, 0.00311661/step, 0.815167 hours remaining, 240.550781 MB of memory in use. ENERGY: 4058400 3937.7413 20526.3908 14539.7948 240.5544 -203356.1022 2495.0967 0.0000 0.0000 52227.0852 -109389.4391 300.1498 -161616.5242 -109028.6839 299.9318 -171.3432 -139.1351 759268.5509 -7.2489 -7.3612 PRESSURE: 4058600 -323.105 -121.01 59.9836 -121.01 126.642 -156.841 59.983 -156.841 -213.271 GPRESSURE: 4058600 -197.859 -182.356 43.3214 -20.36 110.023 -107.649 -4.91354 -159.434 -214.02 PRESSAVG: 4058600 -8.52967 2.26242 61.1631 2.26238 -2.36521 -19.5878 61.1631 -19.5878 8.33856 GPRESSAVG: 4058600 -9.18278 1.95048 59.7961 1.48545 -1.71506 -20.312 61.8172 -19.6801 8.27221 TIMING: 4058600 CPU: 12887.4, 0.00312221/step Wall: 12887.4, 0.00312221/step, 0.816459 hours remaining, 240.550781 MB of memory in use. ENERGY: 4058600 4019.3952 20605.0042 14573.9594 275.4616 -203517.5765 2590.6117 0.0000 0.0000 52093.7365 -109359.4079 299.3834 -161453.1445 -109008.6865 299.9739 -136.5779 -100.6189 760824.4123 -0.8521 -0.8752 PRESSURE: 4058800 26.6444 -204.039 314.926 -204.039 -29.0852 59.2258 314.926 59.228 -369.668 GPRESSURE: 4058800 61.1291 -61.6527 334.409 -115.135 25.8133 -59.6962 286.223 121.602 -381.782 PRESSAVG: 4058800 -3.57057 -17.9247 -20.6912 -17.9247 30.4755 31.0674 -20.6912 31.0674 4.07941 GPRESSAVG: 4058800 -3.89549 -18.9691 -20.224 -16.6647 31.0926 31.9975 -19.1979 29.0363 3.44915 TIMING: 4058800 CPU: 12888.1, 0.00314652/step Wall: 12888.1, 0.00314652/step, 0.822641 hours remaining, 240.550781 MB of memory in use. ENERGY: 4058800 3991.3676 20621.1624 14536.7657 252.8404 -203553.1868 2573.1577 0.0000 0.0000 52324.0050 -109253.8880 300.7068 -161577.8930 -108884.7024 299.8369 -124.0362 -98.2799 763057.8675 10.3281 10.2154 PRESSURE: 4059000 259.964 116.179 195.391 116.179 164.483 134.142 195.391 134.142 85.6742 GPRESSURE: 4059000 222.87 12.2093 297.881 102.466 216.79 85.9536 140.24 122.613 163.814 PRESSAVG: 4059000 -30.6618 -58.228 13.0999 -58.228 -9.79648 -3.78456 13.0999 -3.7846 20.3671 GPRESSAVG: 4059000 -32.9328 -56.4458 12.671 -60.5481 -9.08492 -3.37744 13.3416 -2.71958 22.5048 TIMING: 4059000 CPU: 12888.7, 0.00313137/step Wall: 12888.7, 0.00313137/step, 0.818505 hours remaining, 240.550781 MB of memory in use. ENERGY: 4059000 3941.8343 20439.4274 14493.9573 252.0217 -203938.6769 2917.3811 0.0000 0.0000 52580.1523 -109313.9029 302.1789 -161894.0552 -108944.2740 299.5505 170.0404 201.1581 762803.1248 -6.6970 -6.5043 PRESSURE: 4059200 -133.374 -184.928 129.457 -184.927 74.4178 40.2123 129.457 40.2108 29.2612 GPRESSURE: 4059200 65.5114 -150.118 272.095 -88.4448 -18.2193 22.8343 28.652 4.2188 13.8833 PRESSAVG: 4059200 25.2523 -30.2693 17.5003 -30.2694 -51.9504 19.3268 17.5003 19.3269 -18.3114 GPRESSAVG: 4059200 28.7591 -31.2828 18.6592 -28.4068 -53.5879 19.0708 17.3941 18.5528 -20.2518 TIMING: 4059200 CPU: 12889.3, 0.00313441/step Wall: 12889.3, 0.00313441/step, 0.819125 hours remaining, 240.550781 MB of memory in use. ENERGY: 4059200 4031.3407 20502.8060 14643.7991 233.0218 -203896.6554 2592.7684 0.0000 0.0000 52264.3394 -109628.5800 300.3639 -161892.9194 -109264.3728 299.5234 -9.8983 20.3918 761081.2509 -15.0032 -15.0269 PRESSURE: 4059400 -80.4663 -116.325 -172.956 -116.326 -157.712 185.854 -172.957 185.854 -126.517 GPRESSURE: 4059400 -106.014 -210.492 -223.27 -82.2362 -69.0931 136.723 -134.863 221.158 -116.535 PRESSAVG: 4059400 2.61862 10.6498 26.1414 10.6498 -13.208 7.23919 26.1414 7.23914 13.1579 GPRESSAVG: 4059400 2.98047 10.8501 24.5814 8.83521 -13.0177 5.45372 26.7783 8.89161 12.6991 TIMING: 4059400 CPU: 12890, 0.00312789/step Wall: 12890, 0.00312789/step, 0.817247 hours remaining, 240.550781 MB of memory in use. ENERGY: 4059400 3995.6486 20595.8849 14604.3261 244.1054 -203388.9394 2376.9749 0.0000 0.0000 51822.0887 -109749.9108 297.8223 -161571.9995 -109388.3148 298.6728 -121.5649 -97.2142 760856.0004 0.8562 0.8873 PRESSURE: 4059600 345.706 19.7674 -80.0916 19.7672 252.925 -182.396 -80.092 -182.395 169.497 GPRESSURE: 4059600 341.298 106.287 -132.198 166.287 258.952 -153.323 -64.213 -44.4503 252.624 PRESSAVG: 4059600 -52.7029 21.07 20.3159 21.07 10.7946 16.9272 20.3158 16.9271 -10.2274 GPRESSAVG: 4059600 -54.8183 22.0121 21.2721 21.2166 10.9647 18.9711 18.8565 14.8234 -8.22758 TIMING: 4059600 CPU: 12890.6, 0.00313156/step Wall: 12890.6, 0.00313156/step, 0.818032 hours remaining, 240.550781 MB of memory in use. ENERGY: 4059600 3957.2078 20600.6865 14515.9167 282.2027 -203476.1728 2559.9961 0.0000 0.0000 51644.0659 -109916.0971 296.7992 -161560.1630 -109553.5308 298.6646 256.0425 284.2911 761817.9743 -17.3786 -17.3604 PRESSURE: 4059800 -73.0309 -70.6657 72.8424 -70.6657 -158.842 175.51 72.8428 175.509 98.9352 GPRESSURE: 4059800 -71.3568 127.234 105.152 66.5805 -95.4303 216.583 3.46694 21.5112 132.566 PRESSAVG: 4059800 19.3415 -26.9129 1.33324 -26.9129 -17.6211 49.9742 1.33326 49.9742 12.6339 GPRESSAVG: 4059800 21.0258 -28.0502 0.859716 -26.6358 -17.8507 49.8441 0.80919 50.2661 11.3188 TIMING: 4059800 CPU: 12891.2, 0.0031218/step Wall: 12891.2, 0.0031218/step, 0.81531 hours remaining, 240.550781 MB of memory in use. ENERGY: 4059800 3993.1939 20370.6673 14433.5313 243.2389 -203680.1106 2638.5478 0.0000 0.0000 51928.8585 -110072.0729 298.4359 -162000.9314 -109707.2513 298.2477 -44.3127 -11.4071 760159.3638 4.7848 4.8313 PRESSURE: 4060000 500.801 -237.016 36.4423 -237.015 427.133 -164.969 36.4422 -164.969 -100.843 GPRESSURE: 4060000 549.106 -256.854 77.0818 -220.621 348.102 -110.61 130.78 -125.346 -0.672649 PRESSAVG: 4060000 -3.33892 -9.35336 12.0426 -9.35337 51.7535 -20.8654 12.0426 -20.8656 8.13141 GPRESSAVG: 4060000 -3.60164 -7.20663 11.5118 -9.57601 51.0532 -23.1452 12.1511 -17.2879 8.87357 TIMING: 4060000 CPU: 12891.8, 0.00312931/step Wall: 12891.8, 0.00312931/step, 0.817098 hours remaining, 240.550781 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: 4060000 3944.4800 20457.6170 14436.6021 244.4626 -203906.5780 2798.3489 0.0000 0.0000 52126.4050 -109898.6624 299.5712 -162025.0674 -109545.3768 298.1199 275.6971 298.8450 759784.3664 18.8487 18.7751 PRESSURE: 4060200 239.586 58.4159 -121.224 58.4148 153.704 -46.9052 -121.224 -46.904 202.758 GPRESSURE: 4060200 361.417 80.9953 -183.021 101.271 146.116 -12.2014 -222.041 -1.38611 173.441 PRESSAVG: 4060200 53.7498 -33.1591 -12.8825 -33.1591 -28.2844 -36.2411 -12.8825 -36.2411 2.7395 GPRESSAVG: 4060200 52.7796 -33.5366 -12.0208 -33.6489 -27.0292 -34.3594 -11.2499 -38.4676 3.00313 TIMING: 4060200 CPU: 12892.5, 0.00313903/step Wall: 12892.5, 0.00313903/step, 0.819462 hours remaining, 240.550781 MB of memory in use. ENERGY: 4060200 4022.2944 20476.7972 14450.7017 253.1758 -203475.9282 2550.0856 0.0000 0.0000 51910.5397 -109812.3337 298.3306 -161722.8734 -109461.2242 298.6854 198.6825 226.9910 760083.1876 9.4016 9.5845 LDB: ============= START OF LOAD BALANCING ============== 12904.9 LDB: ============== END OF LOAD BALANCING =============== 12904.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12904.9 LDB: ============= START OF LOAD BALANCING ============== 12905.2 LDB: Largest compute 7056 load 0.037156 is 19.0% of average load 0.195326 LDB: Average compute 0.004395 is 2.2% of average load 0.195326 LDB: TIME 12905.2 LOAD: AVG 0.195326 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.555 MB LDB: TIME 12905.2 LOAD: AVG 0.195326 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.598 MB LDB: TIME 12905.2 LOAD: AVG 0.195326 MAX 0.214904 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.598 MB LDB: ============== END OF LOAD BALANCING =============== 12905.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12905.2 PRESSURE: 4060400 27.0279 -155.23 213.145 -155.23 -133.607 -158.68 213.146 -158.68 -422.484 GPRESSURE: 4060400 55.9305 -68.1894 382.558 -49.672 -60.9746 -67.2022 156.08 -150.981 -445.102 PRESSAVG: 4060400 26.1679 17.8318 30.7829 17.8318 5.87067 -52.5128 30.7829 -52.5128 16.304 GPRESSAVG: 4060400 26.0207 15.1923 30.5771 18.8626 6.08177 -51.8955 29.6558 -53.589 15.831 TIMING: 4060400 CPU: 12893.1, 0.00319718/step Wall: 12893.1, 0.00319718/step, 0.834464 hours remaining, 240.867188 MB of memory in use. ENERGY: 4060400 3948.5876 20426.4291 14395.6580 235.7002 -203164.1265 2397.6911 0.0000 0.0000 52160.3830 -109599.6775 299.7664 -161760.0604 -109237.6300 298.6714 -176.3544 -150.0488 760299.6261 16.1142 15.9778 PRESSURE: 4060600 217.34 173.237 -52.7876 173.237 325.771 15.4879 -52.7876 15.4887 133.32 GPRESSURE: 4060600 268.928 259.452 -166.92 140.367 343.38 128.659 94.0335 -148.882 140.1 PRESSAVG: 4060600 -13.4417 21.4679 12.7768 21.4678 0.0659952 -76.1698 12.7768 -76.1699 17.7588 GPRESSAVG: 4060600 -13.0744 23.8588 14.529 20.7365 -0.776135 -77.4902 12.1904 -75.5524 17.8821 TIMING: 4060600 CPU: 12893.7, 0.00313527/step Wall: 12893.7, 0.00313527/step, 0.818131 hours remaining, 240.867188 MB of memory in use. ENERGY: 4060600 3998.4175 20447.4358 14447.1174 251.6994 -203584.5925 2747.4570 0.0000 0.0000 52082.0969 -109610.3686 299.3165 -161692.4655 -109255.5123 299.0928 225.4770 250.8026 758084.9462 1.4610 1.3439 PRESSURE: 4060800 461.496 -41.4562 -180.047 -41.4562 176.067 92.2394 -180.046 92.2405 66.6735 GPRESSURE: 4060800 401.695 20.3692 -199.906 -12.9156 368.447 142.483 -15.3725 113.591 29.5815 PRESSAVG: 4060800 34.8172 3.88392 -3.96587 3.8839 17.5228 -41.3058 -3.96588 -41.3058 4.69897 GPRESSAVG: 4060800 33.2335 5.42999 -6.39481 2.59554 19.5054 -40.3017 -1.05682 -40.8207 4.06577 TIMING: 4060800 CPU: 12894.4, 0.00311566/step Wall: 12894.4, 0.00311566/step, 0.812841 hours remaining, 240.867188 MB of memory in use. ENERGY: 4060800 3977.9966 20471.4062 14588.8321 243.2890 -203708.1311 2861.2581 0.0000 0.0000 51979.8830 -109585.4661 298.7291 -161565.3491 -109223.9104 299.3826 234.7458 266.5745 759140.5663 19.0130 18.9349 PRESSURE: 4061000 206.074 100.87 -229.611 100.871 -18.554 -312.427 -229.611 -312.428 313.763 GPRESSURE: 4061000 211.374 199.742 -196.64 113.35 39.6493 -286.039 -200.573 -190.251 332.153 PRESSAVG: 4061000 -7.37009 10.6194 -48.0339 10.6195 28.236 -74.088 -48.0339 -74.0881 1.23847 GPRESSAVG: 4061000 -5.5853 9.60378 -45.8051 11.5786 26.8026 -75.6174 -49.915 -75.1501 0.868572 TIMING: 4061000 CPU: 12895, 0.00313758/step Wall: 12895, 0.00313758/step, 0.818385 hours remaining, 240.867188 MB of memory in use. ENERGY: 4061000 3962.0221 20454.1397 14426.6642 248.2457 -203601.0352 2799.3305 0.0000 0.0000 52178.3138 -109532.3193 299.8695 -161710.6331 -109169.2170 299.3419 167.0944 194.3921 759537.0559 7.3681 7.3619 PRESSURE: 4061200 -97.0318 -18.2494 -145.121 -18.2495 -130.386 -40.1327 -145.12 -40.1329 131.018 GPRESSURE: 4061200 -49.1767 -83.0509 -122.15 110.117 -153.625 -33.781 -88.7824 -43.8353 164.599 PRESSAVG: 4061200 9.38689 -1.38851 5.05352 -1.38854 -29.4121 -33.5914 5.0536 -33.5914 -8.51837 GPRESSAVG: 4061200 8.85831 0.358606 5.22948 -1.51913 -30.3403 -31.0144 2.9078 -32.808 -7.01873 TIMING: 4061200 CPU: 12895.6, 0.00311619/step Wall: 12895.6, 0.00311619/step, 0.812632 hours remaining, 240.867188 MB of memory in use. ENERGY: 4061200 3863.1264 20409.4911 14509.4651 255.9867 -203510.9044 2587.1992 0.0000 0.0000 52101.3302 -109784.3055 299.4271 -161885.6358 -109416.9306 298.8182 -32.1332 -12.7341 759199.3677 -9.5145 -9.5002 PRESSURE: 4061400 0.803954 -39.8088 -111.854 -39.8092 -160.156 291.7 -111.855 291.7 -150.991 GPRESSURE: 4061400 -43.4498 -1.27449 -22.9294 -7.3406 -91.691 360.892 -143.804 263.327 -76.2594 PRESSAVG: 4061400 -1.81507 32.2098 18.6063 32.2099 -6.12235 -19.6925 18.6063 -19.6925 30.2968 GPRESSAVG: 4061400 -1.56798 29.8125 16.6405 32.4819 -5.21041 -20.6357 20.3734 -20.5394 29.196 TIMING: 4061400 CPU: 12896.2, 0.00315623/step Wall: 12896.2, 0.00315623/step, 0.8229 hours remaining, 240.867188 MB of memory in use. ENERGY: 4061400 3995.3056 20581.0022 14428.8394 242.1245 -203316.5496 2461.7106 0.0000 0.0000 51966.7427 -109640.8247 298.6536 -161607.5674 -109281.7177 299.0102 -103.4477 -70.4667 759692.4573 7.4531 7.4725 PRESSURE: 4061600 38.6123 141.173 -85.6475 141.173 109.736 174.499 -85.6477 174.499 -145.067 GPRESSURE: 4061600 140.1 204.071 -63.2546 232.705 73.8715 253.665 17.1519 89.2877 -133.714 PRESSAVG: 4061600 56.1779 29.8183 0.577775 29.8183 30.9754 -10.3247 0.577835 -10.3247 17.4474 GPRESSAVG: 4061600 57.715 30.0461 0.995375 31.0647 29.7195 -10.0295 0.52532 -10.1661 16.6634 TIMING: 4061600 CPU: 12896.9, 0.00314648/step Wall: 12896.9, 0.00314648/step, 0.820183 hours remaining, 240.867188 MB of memory in use. ENERGY: 4061600 4000.3727 20464.7963 14502.7407 240.0338 -203532.7893 2785.8825 0.0000 0.0000 51810.9930 -109727.9703 297.7585 -161538.9633 -109378.6462 299.3659 1.0939 26.7526 760158.9266 34.8669 34.6993 PRESSURE: 4061800 -210.439 22.4429 102.992 22.4425 147.865 72.4482 102.992 72.4482 137.83 GPRESSURE: 4061800 -150.346 -50.4175 115.213 -23.2268 201.399 26.3524 160.033 98.3286 123.257 PRESSAVG: 4061800 -14.9027 -12.9244 25.6622 -12.9244 10.4656 -0.961645 25.6622 -0.961612 -8.04864 GPRESSAVG: 4061800 -16.4951 -12.2193 23.7493 -14.1266 11.2246 -1.81059 28.4351 -1.256 -7.29415 TIMING: 4061800 CPU: 12897.5, 0.00315373/step Wall: 12897.5, 0.00315373/step, 0.821897 hours remaining, 240.867188 MB of memory in use. ENERGY: 4061800 3969.6063 20481.0937 14477.4353 263.7863 -203753.6373 2727.1059 0.0000 0.0000 52050.2522 -109784.3576 299.1335 -161834.6098 -109417.2816 298.3766 25.0852 58.1035 761062.5534 -4.1619 -4.1882 PRESSURE: 4062000 -112.928 209.416 131.809 209.416 -77.87 67.8819 131.81 67.882 -65.7814 GPRESSURE: 4062000 -51.309 177.586 194.931 34.776 -81.8841 48.8407 170.664 35.896 -41.9516 PRESSAVG: 4062000 -2.05674 6.16698 27.7638 6.16702 11.3687 -35.3088 27.7638 -35.3089 -12.2399 GPRESSAVG: 4062000 -2.86542 4.02725 30.4127 6.62208 10.7039 -35.7932 24.0599 -35.0185 -11.6224 TIMING: 4062000 CPU: 12898.1, 0.00314674/step Wall: 12898.1, 0.00314674/step, 0.8199 hours remaining, 240.867188 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: 4062000 4035.6161 20434.8235 14542.3840 236.2971 -203538.5635 2551.2678 0.0000 0.0000 52015.6141 -109722.5610 298.9344 -161738.1751 -109367.3733 299.0450 -85.5263 -58.3816 759389.9382 -0.9760 -1.2613 PRESSURE: 4062200 -20.5585 111.276 -69.1543 111.275 -243.764 -276.757 -69.1548 -276.758 300.26 GPRESSURE: 4062200 -32.2266 117.667 -132.088 76.8689 -137.769 -244.094 -57.549 -277.398 291.358 PRESSAVG: 4062200 16.0839 7.38175 -8.70302 7.38174 46.9111 10.7263 -8.70302 10.7262 34.7454 GPRESSAVG: 4062200 16.1454 6.92827 -10.5627 9.23102 47.8632 12.1534 -6.62414 12.139 33.6023 TIMING: 4062200 CPU: 12898.7, 0.00312939/step Wall: 12898.7, 0.00312939/step, 0.815205 hours remaining, 240.867188 MB of memory in use. ENERGY: 4062200 4011.2977 20423.6347 14469.5794 243.8320 -203321.5663 2285.2399 0.0000 0.0000 52025.7791 -109862.2034 298.9929 -161887.9825 -109495.4523 298.4878 11.9791 40.4542 760158.3424 32.5802 32.5370 PRESSURE: 4062400 121.612 -65.7007 -11.193 -65.7014 -167.035 100.678 -11.1924 100.678 62.8046 GPRESSURE: 4062400 124.097 -127.463 -85.5286 15.8123 -59.9177 78.2481 -31.1997 181.987 39.0533 PRESSAVG: 4062400 -61.3622 7.88945 -6.79469 7.88943 42.0347 -12.3943 -6.79464 -12.3943 21.9336 GPRESSAVG: 4062400 -61.8198 8.08924 -5.84232 6.81981 42.0455 -13.1217 -6.70642 -12.9993 22.1117 TIMING: 4062400 CPU: 12899.4, 0.00312226/step Wall: 12899.4, 0.00312226/step, 0.813175 hours remaining, 240.867188 MB of memory in use. ENERGY: 4062400 3980.8801 20394.9760 14445.0463 254.9016 -203196.1889 2534.8072 0.0000 0.0000 51706.0934 -109879.4843 297.1556 -161585.5777 -109510.2473 298.4517 5.7938 34.4108 759999.1104 0.8687 0.7792 PRESSURE: 4062600 -26.2981 1.20921 130.753 1.20916 15.6513 -156.314 130.751 -156.314 318.665 GPRESSURE: 4062600 55.7279 -1.06466 272.452 18.1286 -9.21506 -59.0985 154.49 -161.235 355.397 PRESSAVG: 4062600 -16.5511 -13.3247 15.6576 -13.3247 42.5677 5.40595 15.6575 5.406 -8.04767 GPRESSAVG: 4062600 -15.4648 -13.0871 15.7021 -13.6438 41.1464 6.79316 14.7976 4.54615 -7.46272 TIMING: 4062600 CPU: 12900, 0.00314676/step Wall: 12900, 0.00314676/step, 0.819381 hours remaining, 240.867188 MB of memory in use. ENERGY: 4062600 3907.9295 20262.2884 14480.1891 247.1669 -203160.4944 2530.0197 0.0000 0.0000 51739.6528 -109993.2480 297.3485 -161732.9008 -109635.9271 298.1092 102.6728 133.9701 762353.8945 5.9897 6.0730 PRESSURE: 4062800 -26.5307 161.089 -127.188 161.089 126.584 49.4016 -127.188 49.4012 105.182 GPRESSURE: 4062800 81.5278 170.506 -145.45 135.757 93.4004 14.9973 -153.046 -5.35155 109.309 PRESSAVG: 4062800 -36.3022 -1.26776 -12.5324 -1.26774 15.3455 56.3044 -12.5323 56.3044 17.0232 GPRESSAVG: 4062800 -35.5026 -1.58823 -12.9684 0.216388 15.1764 56.5008 -12.1388 55.9927 16.4208 TIMING: 4062800 CPU: 12900.6, 0.00313729/step Wall: 12900.6, 0.00313729/step, 0.81674 hours remaining, 240.867188 MB of memory in use. ENERGY: 4062800 4013.3923 20403.2258 14435.3080 235.8837 -203547.7059 2662.3297 0.0000 0.0000 51798.5574 -109999.0089 297.6870 -161797.5663 -109630.5951 297.4269 68.4119 94.7458 761271.9662 -1.3112 -1.3018 PRESSURE: 4063000 -70.8796 54.1955 -141.826 54.195 221.554 72.1684 -141.825 72.167 -190.65 GPRESSURE: 4063000 -7.20243 50.1544 -133.299 -98.374 262.734 78.1422 -166.624 87.436 -224.383 PRESSAVG: 4063000 -28.0378 -45.955 8.52678 -45.9549 87.8558 5.52864 8.52683 5.52863 24.9691 GPRESSAVG: 4063000 -28.4104 -45.0887 7.98535 -47.1959 88.2005 5.01187 9.30623 6.54139 24.8084 TIMING: 4063000 CPU: 12901.3, 0.00313619/step Wall: 12901.3, 0.00313619/step, 0.816281 hours remaining, 240.867188 MB of memory in use. ENERGY: 4063000 3992.6239 20453.1772 14356.2207 254.0076 -203528.1619 2770.4819 0.0000 0.0000 51737.8250 -109963.8257 297.3380 -161701.6507 -109612.4075 297.5755 -13.3252 10.3828 760865.2155 28.2623 28.1995 PRESSURE: 4063200 -313.486 130.906 -171.916 130.906 -77.8079 -40.6754 -171.916 -40.6754 -129.333 GPRESSURE: 4063200 -269.954 89.3576 -132.16 143.706 49.5326 -51.8746 -231.715 -149.643 -190.844 PRESSAVG: 4063200 -5.49808 -8.3982 12.1349 -8.3982 26.2119 24.6785 12.1349 24.6785 5.80757 GPRESSAVG: 4063200 -5.84981 -8.27256 14.3849 -8.65154 27.0978 24.8995 12.5741 22.9067 5.45793 TIMING: 4063200 CPU: 12901.9, 0.00312609/step Wall: 12901.9, 0.00312609/step, 0.813478 hours remaining, 240.867188 MB of memory in use. ENERGY: 4063200 3974.8111 20393.7779 14549.6230 245.7995 -203751.5599 2682.5410 0.0000 0.0000 51687.3023 -110217.7052 297.0476 -161905.0074 -109860.2081 297.2926 -173.5422 -137.0886 760147.4804 8.8405 8.9020 PRESSURE: 4063400 194.471 227.484 66.6387 227.484 126.74 28.188 66.6396 28.1874 90.9112 GPRESSURE: 4063400 246.085 283.486 56.7639 87.5774 124.657 37.2074 59.7616 51.6226 148.141 PRESSAVG: 4063400 28.0596 46.2661 -32.326 46.2661 -7.25298 26.3538 -32.3261 26.3539 -29.9418 GPRESSAVG: 4063400 27.9929 45.7533 -34.7425 46.7672 -7.39591 24.7169 -32.4719 28.529 -29.9239 TIMING: 4063400 CPU: 12902.5, 0.00312881/step Wall: 12902.5, 0.00312881/step, 0.814012 hours remaining, 240.867188 MB of memory in use. ENERGY: 4063400 3943.5297 20444.3871 14463.0050 243.1644 -203324.8891 2497.1192 0.0000 0.0000 51626.7386 -110106.9451 296.6996 -161733.6837 -109748.7315 297.4838 137.3741 172.9610 759953.1331 -3.0451 -3.1090 PRESSURE: 4063600 104.295 341.706 62.5592 341.706 309.612 -66.1042 62.5594 -66.1049 223.782 GPRESSURE: 4063600 68.5233 265.737 24.2392 279.678 337.25 -109.994 69.0876 -7.69928 318.094 PRESSAVG: 4063600 44.256 -0.576608 -29.4642 -0.576616 -34.381 58.1206 -29.4642 58.1206 29.2024 GPRESSAVG: 4063600 44.8194 1.55955 -29.8292 0.813832 -34.6821 58.4444 -29.0354 57.5692 28.3411 TIMING: 4063600 CPU: 12903.1, 0.00311875/step Wall: 12903.1, 0.00311875/step, 0.811222 hours remaining, 240.867188 MB of memory in use. ENERGY: 4063600 3973.7925 20337.8226 14404.1621 238.7549 -203100.0358 2193.2193 0.0000 0.0000 51853.9146 -110098.3696 298.0052 -161952.2842 -109742.9838 297.4624 212.5631 241.2892 759513.4569 13.0258 12.8261 PRESSURE: 4063800 -331.472 37.8577 -13.9309 37.8577 -135.414 103.964 -13.9304 103.965 -283.244 GPRESSURE: 4063800 -241.936 96.058 59.2769 -29.0896 -63.5047 180.185 -24.8485 29.2911 -358.224 PRESSAVG: 4063800 60.8751 4.21559 -51.1594 4.21551 -22.9949 74.8958 -51.1595 74.8959 -11.2075 GPRESSAVG: 4063800 60.3123 4.84944 -49.7061 1.76588 -22.5814 75.0843 -51.6536 74.4617 -10.7869 TIMING: 4063800 CPU: 12903.8, 0.00311771/step Wall: 12903.8, 0.00311771/step, 0.810777 hours remaining, 240.867188 MB of memory in use. ENERGY: 4063800 3985.4325 20405.1498 14465.2830 246.3063 -202796.6759 2063.1266 0.0000 0.0000 51913.5450 -109717.8327 298.3479 -161631.3778 -109343.4680 298.3433 -250.0433 -221.2215 759247.5459 8.8909 8.9813 PRESSURE: 4064000 466.106 322.508 119.492 322.508 136.213 -295.379 119.492 -295.379 100.123 GPRESSURE: 4064000 379.676 178.551 90.7121 283.184 212.2 -269.499 161.528 -130.034 208.477 PRESSAVG: 4064000 -11.7625 43.7888 -33.8502 43.7888 -5.21935 54.2778 -33.8502 54.2779 -5.80942 GPRESSAVG: 4064000 -11.3335 42.6069 -33.6511 43.8071 -5.97295 54.199 -36.0685 53.2338 -5.97958 TIMING: 4064000 CPU: 12904.4, 0.00311238/step Wall: 12904.4, 0.00311238/step, 0.809219 hours remaining, 240.867188 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: 4064000 3991.9423 20349.7781 14490.1506 248.3380 -203497.4447 2771.2193 0.0000 0.0000 51922.2259 -109723.7905 298.3977 -161646.0164 -109361.5527 298.7518 234.1471 266.7844 761266.2205 -7.5971 -7.7620 PRESSURE: 4064200 -54.8979 146.174 82.068 146.173 275.293 89.9963 82.0677 89.9958 152.876 GPRESSURE: 4064200 -3.91027 114.312 65.3591 140.131 312.696 48.5995 199.677 137.413 150.631 PRESSAVG: 4064200 8.52114 43.2949 -44.6666 43.2949 7.92199 25.5521 -44.6666 25.5521 13.4407 GPRESSAVG: 4064200 7.44494 43.857 -45.9295 46.6723 8.14838 24.5229 -42.9471 27.5942 14.5752 TIMING: 4064200 CPU: 12905, 0.00310493/step Wall: 12905, 0.00310493/step, 0.80711 hours remaining, 240.867188 MB of memory in use. ENERGY: 4064200 3925.6561 20355.4345 14482.1228 240.0028 -203267.1440 2653.5845 0.0000 0.0000 51713.3449 -109896.9983 297.1973 -161610.3432 -109534.0851 297.9419 124.4237 153.1391 762008.9964 9.9613 10.0562 LDB: ============= START OF LOAD BALANCING ============== 12917.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12917.4 LDB: =============== DONE WITH MIGRATION ================ 12917.4 LDB: ============= START OF LOAD BALANCING ============== 12917.8 LDB: Largest compute 7056 load 0.034348 is 17.6% of average load 0.195368 LDB: Average compute 0.004415 is 2.3% of average load 0.195368 LDB: TIME 12917.8 LOAD: AVG 0.195368 MAX 0.216991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 12917.8 LOAD: AVG 0.195368 MAX 0.216991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 12917.8 LOAD: AVG 0.195368 MAX 0.216991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 12917.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12917.8 PRESSURE: 4064400 -298.826 118.785 6.12683 118.785 -125.158 104.677 6.12576 104.677 -359.822 GPRESSURE: 4064400 -290.634 104.731 99.1505 170.301 -91.5242 126.329 -9.07207 218.229 -316.032 PRESSAVG: 4064400 11.5565 -9.9302 -6.50649 -9.93024 43.556 38.9366 -6.50652 38.9366 -0.789757 GPRESSAVG: 4064400 12.1273 -10.6275 -4.42276 -12.0148 44.1216 40.3575 -7.29281 37.3748 -1.94406 TIMING: 4064400 CPU: 12905.6, 0.00318546/step Wall: 12905.6, 0.00318546/step, 0.827866 hours remaining, 242.917969 MB of memory in use. ENERGY: 4064400 3935.6414 20431.6636 14443.6114 250.0439 -203023.4048 2306.2333 0.0000 0.0000 51752.7013 -109903.5099 297.4235 -161656.2112 -109545.4955 298.3191 -261.2687 -232.7300 761718.1567 18.1076 18.1016 PRESSURE: 4064600 205.154 -7.56184 140.646 -7.5611 46.765 -157.22 140.647 -157.221 245.1 GPRESSURE: 4064600 162.18 1.31697 145.207 24.4302 129.958 -119.62 234.104 -142.837 279.685 PRESSAVG: 4064600 27.0437 46.2291 -39.8299 46.2291 -23.4259 5.85498 -39.8299 5.85492 -5.43782 GPRESSAVG: 4064600 27.3967 45.7606 -40.3688 46.6077 -23.047 5.66865 -39.7508 6.83093 -5.76517 TIMING: 4064600 CPU: 12906.3, 0.00311881/step Wall: 12906.3, 0.00311881/step, 0.81037 hours remaining, 242.988281 MB of memory in use. ENERGY: 4064600 3928.0191 20250.6458 14526.1273 236.3692 -203361.3357 2552.4635 0.0000 0.0000 51727.5909 -110140.1198 297.2792 -161867.7108 -109776.6720 297.8479 165.6729 190.6073 759740.2156 -0.6067 -0.4718 PRESSURE: 4064800 126.451 51.5948 -146.963 51.5937 153.023 111.023 -146.961 111.022 -6.98942 GPRESSURE: 4064800 151.399 153.943 -116.927 -12.9613 192.513 138.768 -106.946 93.8355 20.249 PRESSAVG: 4064800 52.5019 13.8233 -15.852 13.8233 -18.9388 -13.0504 -15.852 -13.0505 31.3304 GPRESSAVG: 4064800 51.7498 16.5175 -15.3785 12.9889 -18.9686 -12.2332 -17.2094 -14.8372 31.9368 TIMING: 4064800 CPU: 12906.9, 0.00309789/step Wall: 12906.9, 0.00309789/step, 0.804763 hours remaining, 242.988281 MB of memory in use. ENERGY: 4064800 3884.9087 20419.1362 14419.1366 246.7321 -203679.6595 2725.4194 0.0000 0.0000 51905.0494 -110079.2770 298.2990 -161984.3264 -109716.0350 297.5532 90.8281 121.3869 759929.7008 21.6311 21.5727 PRESSURE: 4065000 -196.622 -110.54 -387.341 -110.54 153.446 47.14 -387.341 47.1408 -263.814 GPRESSURE: 4065000 -113.386 -88.8258 -292.542 -63.4696 200.863 40.1226 -332.494 39.0752 -320.095 PRESSAVG: 4065000 -6.41359 -15.0537 -40.0335 -15.0536 26.7265 -15.4048 -40.0335 -15.4048 25.372 GPRESSAVG: 4065000 -5.41616 -15.6799 -41.0432 -15.6887 26.8057 -16.8981 -38.6148 -14.7643 24.3521 TIMING: 4065000 CPU: 12907.5, 0.00311342/step Wall: 12907.5, 0.00311342/step, 0.808625 hours remaining, 242.988281 MB of memory in use. ENERGY: 4065000 3902.3730 20373.8173 14477.6039 244.3355 -203613.5135 2621.1019 0.0000 0.0000 52068.3866 -109925.8953 299.2377 -161994.2819 -109564.6062 297.9025 -102.3301 -77.5394 761231.4555 15.2283 15.2472 PRESSURE: 4065200 -39.8276 -49.6773 -182.911 -49.6779 -67.8577 -114.038 -182.911 -114.037 112.028 GPRESSURE: 4065200 54.1975 85.3664 -166.69 -149.967 -74.834 -72.4203 -89.8132 -139.332 93.8932 PRESSAVG: 4065200 -10.9053 -1.56989 3.93108 -1.56985 17.2777 -11.3606 3.93102 -11.3605 -3.91693 GPRESSAVG: 4065200 -11.2438 -1.93964 4.04507 -0.267656 16.5113 -11.079 4.93633 -10.208 -3.21952 TIMING: 4065200 CPU: 12908.1, 0.00312609/step Wall: 12908.1, 0.00312609/step, 0.811741 hours remaining, 242.988281 MB of memory in use. ENERGY: 4065200 3930.8807 20377.5996 14366.3706 231.7530 -203823.2450 2962.5793 0.0000 0.0000 52248.8247 -109705.2371 300.2747 -161954.0618 -109332.9855 298.2293 1.4477 24.4189 761157.3387 0.8185 0.6826 PRESSURE: 4065400 238.396 36.9177 -129.761 36.9175 167.413 67.2689 -129.76 67.2683 454.337 GPRESSURE: 4065400 202.652 64.0735 -99.339 -63.3082 216.188 95.1195 -192.839 -14.2218 531.829 PRESSAVG: 4065400 -4.04096 46.0878 -43.786 46.0878 52.2273 -27.1502 -43.786 -27.1502 -23.6145 GPRESSAVG: 4065400 -3.64776 44.8017 -43.8417 44.1367 51.7844 -25.8854 -45.2008 -27.291 -23.6818 TIMING: 4065400 CPU: 12908.8, 0.00312153/step Wall: 12908.8, 0.00312153/step, 0.810385 hours remaining, 242.988281 MB of memory in use. ENERGY: 4065400 3952.3710 20498.5923 14417.5976 254.6064 -203380.5751 2494.4281 0.0000 0.0000 52015.8049 -109747.1748 298.9355 -161762.9797 -109391.0876 298.4476 286.7153 316.8896 760606.6706 8.1906 8.1516 PRESSURE: 4065600 -130.295 -174.133 51.9028 -174.134 28.306 17.4203 51.9029 17.4201 -193.63 GPRESSURE: 4065600 -43.752 -35.5881 1.89639 -146.442 41.5633 68.6632 20.2813 89.1003 -224.485 PRESSAVG: 4065600 -26.3352 -22.2945 4.37121 -22.2946 22.3085 15.0712 4.37115 15.0712 24.7271 GPRESSAVG: 4065600 -25.8846 -20.6083 6.45789 -20.6728 21.9536 15.6449 4.99596 12.6598 24.8579 TIMING: 4065600 CPU: 12909.4, 0.00313471/step Wall: 12909.4, 0.00313471/step, 0.813632 hours remaining, 242.988281 MB of memory in use. ENERGY: 4065600 3938.7239 20458.5429 14449.6683 255.6517 -203487.4008 2656.5810 0.0000 0.0000 52056.2251 -109672.0080 299.1678 -161728.2331 -109298.2957 298.9467 -98.5397 -75.5580 761493.1409 6.9001 6.9756 PRESSURE: 4065800 174.127 -154.287 85.9808 -154.287 3.40931 183.985 85.981 183.984 -182.911 GPRESSURE: 4065800 196.067 -43.2666 -14.92 -53.8682 25.3611 216.492 19.5658 158.379 -139.393 PRESSAVG: 4065800 -38.2036 -46.9534 4.20233 -46.9534 19.0142 -5.79997 4.20235 -5.79997 8.17183 GPRESSAVG: 4065800 -40.8345 -47.8702 1.35737 -46.3325 21.1632 -6.16437 6.14506 -3.69823 8.98059 TIMING: 4065800 CPU: 12910, 0.00312253/step Wall: 12910, 0.00312253/step, 0.810297 hours remaining, 242.988281 MB of memory in use. ENERGY: 4065800 3967.2174 20459.9265 14498.8370 247.6704 -203188.1694 2457.0039 0.0000 0.0000 51977.6893 -109579.8249 298.7165 -161557.5142 -109225.3127 298.9608 -1.7917 27.3450 760581.9059 -3.6725 -3.5636 PRESSURE: 4066000 -143.442 -150.007 47.137 -150.007 556.395 213.815 47.1379 213.814 126.127 GPRESSURE: 4066000 11.2091 -223.997 114.448 -108.588 483.5 184.728 -50.0319 250.356 140.848 PRESSAVG: 4066000 17.0357 56.7132 6.06383 56.7131 -10.9696 22.0479 6.06388 22.0479 0.567948 GPRESSAVG: 4066000 18.9525 56.0657 7.50099 57.0181 -12.1152 19.949 2.33024 20.6152 -0.332456 TIMING: 4066000 CPU: 12910.6, 0.0031264/step Wall: 12910.6, 0.0031264/step, 0.811126 hours remaining, 242.988281 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: 4066000 4016.5524 20527.2075 14484.2546 242.9977 -203569.0418 2865.2676 0.0000 0.0000 51755.2039 -109677.5582 297.4379 -161432.7620 -109320.3726 298.7038 179.6931 211.8524 758381.1853 2.2114 2.1683 PRESSURE: 4066200 178.684 -30.9143 136.353 -30.915 105.184 256.009 136.354 256.009 312.238 GPRESSURE: 4066200 150.056 68.78 119.155 -118.247 207.438 207.904 69.441 210.198 345.74 PRESSAVG: 4066200 0.048997 3.77324 -1.7566 3.77327 -38.9807 7.12601 -1.75661 7.126 17.4707 GPRESSAVG: 4066200 0.3123 3.41637 -2.45998 2.40979 -40.4082 8.1422 -0.612219 6.98984 18.9536 TIMING: 4066200 CPU: 12911.3, 0.00312397/step Wall: 12911.3, 0.00312397/step, 0.810323 hours remaining, 242.988281 MB of memory in use. ENERGY: 4066200 3930.0601 20438.0267 14469.1154 248.1429 -203226.5448 2777.2609 0.0000 0.0000 51670.1915 -109693.7473 296.9493 -161363.9388 -109336.4458 298.3705 198.7021 234.4115 761566.5186 -7.1536 -7.0474 PRESSURE: 4066400 279.736 -63.8505 -128.082 -63.8509 -150.172 19.1261 -128.082 19.1262 -34.132 GPRESSURE: 4066400 231.924 -110.087 -205.838 -56.7601 -35.978 -2.34068 1.16798 -85.8266 -18.383 PRESSAVG: 4066400 18.3654 14.8062 -13.2738 14.8062 -46.6299 18.046 -13.2738 18.046 8.77612 GPRESSAVG: 4066400 17.6372 14.1501 -12.6071 16.4384 -45.3315 18.1896 -14.0511 17.8875 8.20493 TIMING: 4066400 CPU: 12911.9, 0.00313133/step Wall: 12911.9, 0.00313133/step, 0.812059 hours remaining, 242.988281 MB of memory in use. ENERGY: 4066400 4045.9866 20339.9936 14480.3311 260.6517 -203491.2020 2630.4952 0.0000 0.0000 51982.8381 -109750.9057 298.7461 -161733.7438 -109396.8582 298.5469 31.8109 59.1875 760989.5885 -6.4961 -6.4964 PRESSURE: 4066600 -270.273 57.6588 -210.706 57.6593 86.5323 91.6184 -210.706 91.6172 -162.126 GPRESSURE: 4066600 -248.286 101.037 -215.907 98.3181 77.428 61.7043 -173.734 138.4 -98.4234 PRESSAVG: 4066600 30.9033 -31.5432 -82.0539 -31.5431 -2.12616 21.7839 -82.0538 21.7839 17.7451 GPRESSAVG: 4066600 30.5352 -30.5249 -82.4621 -31.1439 -2.00098 20.408 -82.1197 24.0857 17.5784 TIMING: 4066600 CPU: 12912.5, 0.00312952/step Wall: 12912.5, 0.00312952/step, 0.811416 hours remaining, 242.988281 MB of memory in use. ENERGY: 4066600 3946.2627 20382.8176 14387.8928 230.8988 -203241.2029 2411.3765 0.0000 0.0000 52032.5391 -109849.4154 299.0317 -161881.9545 -109479.1603 298.6106 -115.2890 -89.7604 762336.2772 15.5074 15.3709 PRESSURE: 4066800 384.933 21.5362 11.3198 21.5365 335.708 22.0746 11.3198 22.0742 116.331 GPRESSURE: 4066800 365.21 -22.0664 -60.1554 31.7195 355.329 113.884 -7.25051 73.7058 204.883 PRESSAVG: 4066800 -25.4456 -5.26662 -59.1148 -5.26656 45.3526 4.18883 -59.1148 4.18886 -6.61898 GPRESSAVG: 4066800 -26.162 -4.88705 -57.652 -7.26176 45.988 4.64071 -59.5241 3.75767 -6.10747 TIMING: 4066800 CPU: 12913.1, 0.00312249/step Wall: 12913.1, 0.00312249/step, 0.809419 hours remaining, 242.988281 MB of memory in use. ENERGY: 4066800 3928.6401 20585.9442 14418.4735 236.2931 -203626.0941 2747.3204 0.0000 0.0000 51698.6898 -110010.7329 297.1131 -161709.4228 -109656.1352 297.8521 278.9909 308.4741 759678.3130 4.4294 4.5728 PRESSURE: 4067000 5.22373 252.477 -148.646 252.477 -315.554 -25.21 -148.646 -25.21 35.9937 GPRESSURE: 4067000 26.1802 165.044 -206.133 111.882 -205.306 -57.1002 -151.204 -13.2649 -4.86237 PRESSAVG: 4067000 5.72977 -1.27331 -31.1498 -1.27328 -39.5153 -51.902 -31.1498 -51.902 -15.8142 GPRESSAVG: 4067000 6.59202 -1.82818 -31.3131 -1.18255 -39.5066 -52.2205 -30.9804 -53.5214 -16.607 TIMING: 4067000 CPU: 12913.8, 0.00313053/step Wall: 12913.8, 0.00313053/step, 0.81133 hours remaining, 242.988281 MB of memory in use. ENERGY: 4067000 3935.3841 20428.9429 14463.5029 244.5894 -203582.7761 2784.4440 0.0000 0.0000 51625.0702 -110100.8426 296.6900 -161725.9128 -109748.0822 298.0711 -91.4457 -61.3295 761319.0788 -16.5333 -16.5072 PRESSURE: 4067200 206.418 27.6614 216.626 27.6614 -103.688 0.85783 216.626 0.857869 -176.308 GPRESSURE: 4067200 225.149 78.0566 206.475 8.61828 -63.9666 -46.2442 176.3 -11.3486 -140.385 PRESSAVG: 4067200 44.8695 15.6614 8.83657 15.6614 -88.0679 15.6304 8.83654 15.6304 12.5756 GPRESSAVG: 4067200 45.9839 14.4503 8.69612 14.811 -88.4119 16.6496 9.62631 14.3939 12.521 TIMING: 4067200 CPU: 12914.4, 0.00314183/step Wall: 12914.4, 0.00314183/step, 0.814083 hours remaining, 242.988281 MB of memory in use. ENERGY: 4067200 3990.9409 20301.0999 14507.5776 243.7549 -203363.5585 2494.1871 0.0000 0.0000 51656.3191 -110169.6792 296.8696 -161825.9982 -109806.3947 297.3602 -24.5258 6.9324 761280.6490 -10.2076 -9.9690 PRESSURE: 4067400 -14.0873 -41.9892 397.559 -41.9883 351.211 -17.1054 397.558 -17.106 -380.954 GPRESSURE: 4067400 36.464 -32.3058 318.283 41.2091 315.069 -83.031 273.605 -16.1899 -319.804 PRESSAVG: 4067400 -6.16411 32.0655 -8.32216 32.0655 -18.6187 7.07549 -8.32218 7.0755 -0.0670675 GPRESSAVG: 4067400 -6.22449 32.4042 -7.73229 33.1827 -19.3518 7.5307 -8.72501 8.59113 0.690676 TIMING: 4067400 CPU: 12915, 0.00313877/step Wall: 12915, 0.00313877/step, 0.813117 hours remaining, 242.988281 MB of memory in use. ENERGY: 4067400 3958.8822 20382.4983 14467.9874 231.9174 -203285.8008 2447.5172 0.0000 0.0000 51771.6583 -110025.3400 297.5324 -161796.9983 -109655.7484 297.6102 -14.6099 10.5765 759852.4900 -8.2833 -8.2952 PRESSURE: 4067600 -101.622 -267.976 -250.607 -267.976 -370.591 150.572 -250.607 150.572 -328.576 GPRESSURE: 4067600 9.24916 -272.023 -199.259 -157.371 -381.762 225.069 -201.272 128.114 -346.022 PRESSAVG: 4067600 7.80222 -24.6141 74.9864 -24.6141 -29.0583 -8.62565 74.9863 -8.6256 -2.89215 GPRESSAVG: 4067600 7.08606 -24.1522 72.5217 -23.7631 -28.2515 -9.1147 76.9334 -7.8156 -2.84893 TIMING: 4067600 CPU: 12915.6, 0.00312521/step Wall: 12915.6, 0.00312521/step, 0.80943 hours remaining, 242.988281 MB of memory in use. ENERGY: 4067600 3963.3909 20342.5879 14467.1019 252.4497 -203630.9026 2644.5044 0.0000 0.0000 51746.0330 -110214.8346 297.3852 -161960.8677 -109860.9889 298.0616 -266.9297 -239.5115 760826.9152 -8.0494 -8.0048 PRESSURE: 4067800 108.714 38.9881 -203.242 38.9875 24.7329 -308.968 -203.242 -308.968 77.3111 GPRESSURE: 4067800 96.2143 66.5777 -221.909 45.7098 139.28 -327.067 -182.189 -193.275 39.4506 PRESSAVG: 4067800 -11.1271 -36.8166 15.5866 -36.8167 38.3958 9.57989 15.5866 9.57989 15.6562 GPRESSAVG: 4067800 -10.3741 -36.3535 18.3012 -35.5753 38.4451 9.48274 13.098 9.20527 15.0065 TIMING: 4067800 CPU: 12916.3, 0.00312984/step Wall: 12916.3, 0.00312984/step, 0.810455 hours remaining, 242.988281 MB of memory in use. ENERGY: 4067800 3901.7092 20239.2875 14473.4255 272.3654 -203674.0293 2691.0075 0.0000 0.0000 51619.5274 -110476.7069 296.6581 -162096.2342 -110112.2288 297.3113 70.2527 91.6482 759818.4155 14.3083 14.3592 PRESSURE: 4068000 -322.465 214.736 -147.758 214.736 -379.931 -55.3475 -147.757 -55.3475 54.2674 GPRESSURE: 4068000 -306.752 145.289 -186.162 172.274 -288.031 -61.7081 -69.0388 3.54633 30.7121 PRESSAVG: 4068000 -5.19822 -38.4276 21.2111 -38.4276 28.3558 -36.6954 21.2111 -36.6954 -22.2119 GPRESSAVG: 4068000 -5.81878 -36.9235 18.6411 -40.7098 28.4476 -36.9566 21.6613 -37.7502 -22.0561 TIMING: 4068000 CPU: 12916.9, 0.00313136/step Wall: 12916.9, 0.00313136/step, 0.810675 hours remaining, 242.988281 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: 4068000 3937.6180 20399.9093 14520.1914 235.9075 -203383.1712 2520.0750 0.0000 0.0000 51504.1710 -110265.2990 295.9952 -161769.4700 -109913.0503 297.3731 -216.0431 -188.0237 762132.4030 0.3152 0.1909 PRESSURE: 4068200 58.9765 -201.288 12.3165 -201.287 -140.237 -114.083 12.3168 -114.083 34.0565 GPRESSURE: 4068200 -14.7656 -147.464 -24.7257 -84.6587 -15.4308 -123.223 54.6958 -69.2466 54.1826 PRESSAVG: 4068200 -15.9127 -18.8553 -19.0917 -18.8553 -12.0652 -49.9048 -19.0917 -49.9049 18.4051 GPRESSAVG: 4068200 -16.3896 -19.2846 -18.1609 -18.2436 -12.1547 -50.2102 -17.9534 -47.9177 18.7494 TIMING: 4068200 CPU: 12917.5, 0.0031163/step Wall: 12917.5, 0.0031163/step, 0.806602 hours remaining, 242.988281 MB of memory in use. ENERGY: 4068200 4022.8998 20303.5798 14368.0693 235.8909 -203369.3983 2445.1117 0.0000 0.0000 51797.7012 -110196.1456 297.6821 -161993.8468 -109838.7648 297.6677 -15.7346 7.9954 761139.0088 -3.1909 -3.2650 LDB: ============= START OF LOAD BALANCING ============== 12930 LDB: ============== END OF LOAD BALANCING =============== 12930 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12930 LDB: ============= START OF LOAD BALANCING ============== 12930.3 LDB: Largest compute 7056 load 0.037489 is 19.2% of average load 0.195338 LDB: Average compute 0.004412 is 2.3% of average load 0.195338 LDB: TIME 12930.3 LOAD: AVG 0.195338 MAX 0.213621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.566 MB LDB: TIME 12930.3 LOAD: AVG 0.195338 MAX 0.213621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.77 MB LDB: TIME 12930.3 LOAD: AVG 0.195338 MAX 0.213621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.77 MB LDB: ============== END OF LOAD BALANCING =============== 12930.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12930.3 PRESSURE: 4068400 -14.4624 -87.6431 -72.7724 -87.6439 38.6075 -181.559 -72.772 -181.56 -132.805 GPRESSURE: 4068400 77.0211 2.37086 -63.1915 -200.937 29.838 -116.324 23.1993 -58.5232 -115.259 PRESSAVG: 4068400 -15.0961 -63.3444 1.46348 -63.3443 9.53365 6.27489 1.46349 6.27491 -3.60122 GPRESSAVG: 4068400 -14.3428 -63.8148 0.854805 -62.7792 9.24194 5.66697 0.502972 5.31567 -3.49783 TIMING: 4068400 CPU: 12918.1, 0.00318631/step Wall: 12918.1, 0.00318631/step, 0.824547 hours remaining, 239.894531 MB of memory in use. ENERGY: 4068400 3941.9892 20388.0205 14472.5247 247.5640 -203478.7733 2489.2044 0.0000 0.0000 51849.0842 -110090.3863 297.9774 -161939.4706 -109727.5763 297.5348 -36.2200 -2.7998 761700.0004 -3.0546 -2.8662 PRESSURE: 4068600 -197.096 -23.6314 -207.019 -23.6318 -562.38 -186.874 -207.018 -186.875 -259.937 GPRESSURE: 4068600 -140.98 -135.773 -184.554 -19.5098 -496.525 -163.272 -160.858 -128.126 -301.635 PRESSAVG: 4068600 16.3679 -34.1503 23.5622 -34.1503 -30.3631 4.26541 23.5622 4.26541 2.27209 GPRESSAVG: 4068600 16.1933 -35.5588 24.8145 -34.8787 -30.2601 4.92162 23.02 4.08394 2.48561 TIMING: 4068600 CPU: 12918.8, 0.00313971/step Wall: 12918.8, 0.00313971/step, 0.812312 hours remaining, 239.894531 MB of memory in use. ENERGY: 4068600 3991.2231 20439.9451 14550.0199 249.4736 -203801.8475 2735.1971 0.0000 0.0000 51830.1926 -110005.7962 297.8688 -161835.9887 -109652.2552 297.8879 -339.8045 -313.0467 763053.1324 -3.9077 -3.8604 PRESSURE: 4068800 -64.2292 -65.125 -110.497 -65.1238 56.9208 -86.7348 -110.498 -86.7345 248.206 GPRESSURE: 4068800 -155.258 59.6993 -127.48 14.6008 148.742 -97.3958 -92.7411 -56.8614 314.246 PRESSAVG: 4068800 12.4137 47.3351 -56.3451 47.3352 -5.93122 -34.9898 -56.3451 -34.9898 30.7436 GPRESSAVG: 4068800 11.326 48.7238 -55.7711 47.2435 -4.63638 -33.9092 -56.898 -35.8399 30.4207 TIMING: 4068800 CPU: 12919.4, 0.00313818/step Wall: 12919.4, 0.00313818/step, 0.811742 hours remaining, 239.894531 MB of memory in use. ENERGY: 4068800 3956.7405 20388.1588 14490.9207 249.1153 -203812.1381 2562.3483 0.0000 0.0000 51892.6363 -110272.2183 298.2277 -162164.8545 -109917.5660 297.9961 80.2993 102.5766 760324.5336 12.4087 12.3701 PRESSURE: 4069000 28.5762 84.9469 19.8044 84.9461 177.695 154.478 19.8037 154.478 -36.1288 GPRESSURE: 4069000 33.1819 79.3204 15.5878 -2.68389 192.516 153.206 -47.6154 192.77 29.362 PRESSAVG: 4069000 45.9271 -32.9288 -25.9038 -32.9287 -43.8454 -15.9258 -25.9037 -15.9258 2.7124 GPRESSAVG: 4069000 46.8569 -32.7704 -26.9224 -32.0294 -45.1975 -16.2188 -25.5411 -14.8013 2.81711 TIMING: 4069000 CPU: 12920, 0.00313237/step Wall: 12920, 0.00313237/step, 0.810067 hours remaining, 239.894531 MB of memory in use. ENERGY: 4069000 3953.2394 20497.2989 14456.0806 235.2651 -203614.0533 2577.7412 0.0000 0.0000 51818.3734 -110076.0548 297.8009 -161894.4282 -109714.5908 297.6465 56.7140 85.0199 760773.9823 1.5981 1.4922 PRESSURE: 4069200 -57.4196 -30.6728 -82.7377 -30.6722 -439.921 56.3245 -82.7373 56.3247 -154.2 GPRESSURE: 4069200 -91.9975 -39.2728 -27.9163 15.7001 -327.645 59.4058 -37.1544 188.31 -141.472 PRESSAVG: 4069200 3.71407 -22.8391 45.4052 -22.8391 -34.471 35.9369 45.4052 35.9368 -10.2302 GPRESSAVG: 4069200 3.57467 -23.4567 45.5303 -22.1485 -34.709 34.5968 45.0627 36.5337 -10.4557 TIMING: 4069200 CPU: 12920.7, 0.0031359/step Wall: 12920.7, 0.0031359/step, 0.810805 hours remaining, 239.894531 MB of memory in use. ENERGY: 4069200 4035.2630 20362.3255 14450.6320 247.4790 -203183.4994 2140.1227 0.0000 0.0000 51702.9061 -110244.7711 297.1373 -161947.6772 -109887.8422 298.0059 -217.1802 -187.0382 760835.6492 -13.6624 -13.8633 PRESSURE: 4069400 23.3638 -301.905 -413.771 -301.905 59.2558 -195.708 -413.77 -195.708 -270.565 GPRESSURE: 4069400 -13.2479 -162.873 -370.414 -361.557 138.959 -229.898 -483.643 -108.716 -236.896 PRESSAVG: 4069400 35.5513 -41.8775 68.4491 -41.8775 -55.0225 11.149 68.4492 11.1491 -31.1665 GPRESSAVG: 4069400 34.9954 -41.1454 68.1812 -44.2454 -54.8786 13.2371 68.6495 10.9134 -29.8026 TIMING: 4069400 CPU: 12921.3, 0.00313094/step Wall: 12921.3, 0.00313094/step, 0.809348 hours remaining, 239.894531 MB of memory in use. ENERGY: 4069400 4003.6544 20431.4192 14534.1089 243.1182 -203012.1479 2298.5759 0.0000 0.0000 51267.3509 -110233.9204 294.6342 -161501.2713 -109870.7683 297.6633 -62.6486 -37.0615 762697.7191 -16.8792 -16.5619 PRESSURE: 4069600 78.566 -47.9995 71.211 -47.9997 200.603 78.7516 71.2116 78.7509 -207.856 GPRESSURE: 4069600 75.1917 38.628 71.2675 -75.1786 239.544 51.7709 24.8963 107.278 -163.765 PRESSAVG: 4069600 -45.3693 -19.1005 10.0412 -19.1005 -0.565156 -34.6945 10.0413 -34.6945 6.80004 GPRESSAVG: 4069600 -43.9693 -19.2514 9.81668 -19.6087 -0.331725 -36.3029 8.97482 -36.0292 5.23243 TIMING: 4069600 CPU: 12921.9, 0.00314505/step Wall: 12921.9, 0.00314505/step, 0.81282 hours remaining, 239.894531 MB of memory in use. ENERGY: 4069600 3974.4612 20443.2640 14500.4576 247.2705 -203296.5886 2419.7905 0.0000 0.0000 51526.6274 -110184.7174 296.1242 -161711.3448 -109838.4291 297.2343 23.7709 50.3239 762133.1057 -13.0448 -13.0229 PRESSURE: 4069800 -229.726 -69.6881 103.445 -69.6879 -183.259 109.947 103.444 109.947 109.317 GPRESSURE: 4069800 -167.195 9.54191 132.353 -5.67727 -235.723 108.205 87.5139 64.2737 183.047 PRESSAVG: 4069800 32.2578 -42.3757 -30.219 -42.3757 -40.0375 -44.8188 -30.219 -44.8188 23.6203 GPRESSAVG: 4069800 32.4385 -42.5991 -31.8317 -41.6446 -40.3917 -46.3904 -27.4335 -42.5931 24.4035 TIMING: 4069800 CPU: 12922.5, 0.00314209/step Wall: 12922.5, 0.00314209/step, 0.811882 hours remaining, 239.894531 MB of memory in use. ENERGY: 4069800 3981.9366 20356.3649 14519.1713 248.3528 -203793.3420 2541.1659 0.0000 0.0000 52259.1178 -109887.2328 300.3339 -162146.3505 -109526.5422 297.9327 -101.2229 -73.2900 761160.6719 5.2802 5.4835 PRESSURE: 4070000 -404.879 141.875 137.273 141.875 -571.01 99.0152 137.273 99.0155 70.0062 GPRESSURE: 4070000 -387.833 64.6599 103.388 68.7446 -429.966 41.3829 19.7501 -4.12776 -4.79089 PRESSAVG: 4070000 -0.676898 -24.1226 41.7164 -24.1225 -14.6141 7.7673 41.7164 7.76727 -0.983849 GPRESSAVG: 4070000 -0.401969 -22.8041 41.5628 -25.3809 -14.456 11.3127 40.8239 7.0484 -1.47922 TIMING: 4070000 CPU: 12923.2, 0.00313749/step Wall: 12923.2, 0.00313749/step, 0.810519 hours remaining, 239.894531 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: 4070000 4038.3786 20586.4038 14373.5248 236.6231 -202951.3168 2284.3315 0.0000 0.0000 51568.1558 -109863.8992 296.3629 -161432.0550 -109504.6339 298.6370 -301.9608 -274.1965 762738.7227 -5.4250 -5.4457 PRESSURE: 4070200 234.848 -110.712 229.638 -110.712 168.583 -80.1305 229.638 -80.1317 11.383 GPRESSURE: 4070200 206.222 -132.08 300.225 48.6723 152.269 -125.649 166.432 63.4211 137.194 PRESSAVG: 4070200 27.2889 -75.7516 -0.968887 -75.7516 0.404286 -9.85767 -0.968882 -9.85763 0.592714 GPRESSAVG: 4070200 25.4469 -76.4948 1.55232 -74.2492 0.936954 -12.1484 -2.57234 -9.29333 1.37831 TIMING: 4070200 CPU: 12923.8, 0.00313365/step Wall: 12923.8, 0.00313365/step, 0.809352 hours remaining, 239.894531 MB of memory in use. ENERGY: 4070200 3952.5712 20443.1269 14405.5853 260.9648 -203270.9762 2503.6865 0.0000 0.0000 51752.2750 -109952.7665 297.4210 -161705.0415 -109594.3843 298.0410 138.2716 165.2281 760442.4536 9.4286 9.2540 PRESSURE: 4070400 -125.524 175.308 -145.61 175.307 -411.381 -15.1658 -145.611 -15.1661 -492.562 GPRESSURE: 4070400 -105.231 233.845 -152.547 188.862 -300.842 8.80126 -206.912 23.9413 -549.331 PRESSAVG: 4070400 -11.4792 0.902578 -15.3569 0.902591 33.3487 -14.8132 -15.357 -14.8132 18.4945 GPRESSAVG: 4070400 -10.4049 0.165569 -16.1976 1.24465 32.7016 -13.0426 -14.4486 -14.8981 17.9916 TIMING: 4070400 CPU: 12924.4, 0.00315348/step Wall: 12924.4, 0.00315348/step, 0.814299 hours remaining, 239.894531 MB of memory in use. ENERGY: 4070400 4028.4606 20502.6456 14444.7269 259.8305 -203333.3192 2428.1719 0.0000 0.0000 51950.0495 -109719.4341 298.5576 -161669.4836 -109350.5642 298.3300 -343.1554 -318.4679 762142.8319 13.4547 13.4294 PRESSURE: 4070600 -376.176 -11.3923 -125.189 -11.3919 56.2216 -258.467 -125.189 -258.467 -86.6282 GPRESSURE: 4070600 -241.541 24.6909 -121.737 -111.752 12.942 -239.141 -16.7776 -413.949 -102.242 PRESSAVG: 4070600 -3.49237 -25.2004 -35.9091 -25.2004 10.0017 -12.5009 -35.9091 -12.5011 -3.15055 GPRESSAVG: 4070600 -1.80474 -23.9899 -37.1446 -25.8697 9.59936 -12.7565 -35.5035 -12.8867 -4.10368 TIMING: 4070600 CPU: 12925.1, 0.0031308/step Wall: 12925.1, 0.0031308/step, 0.808269 hours remaining, 239.894531 MB of memory in use. ENERGY: 4070600 3985.1303 20555.1383 14440.7945 249.3020 -203004.7899 2251.6379 0.0000 0.0000 51945.6576 -109577.1294 298.5324 -161522.7870 -109210.6139 298.9527 -135.5274 -110.2803 762162.2415 1.1196 1.2303 PRESSURE: 4070800 74.9978 -53.8186 -101.239 -53.8188 -214.806 -91.6557 -101.238 -91.6568 385.136 GPRESSURE: 4070800 117.177 41.6166 -23.4315 -158.176 -179.078 62.5135 -81.656 -36.0611 412.808 PRESSAVG: 4070800 -38.1204 -17.4362 -22.7861 -17.4362 -26.5762 0.159402 -22.7861 0.1594 -4.22907 GPRESSAVG: 4070800 -40.1025 -19.2756 -20.3153 -16.7404 -26.4605 0.788953 -22.6741 -1.22866 -2.45797 TIMING: 4070800 CPU: 12925.7, 0.00312412/step Wall: 12925.7, 0.00312412/step, 0.806369 hours remaining, 239.894531 MB of memory in use. ENERGY: 4070800 3973.9626 20483.0022 14429.7945 234.1325 -203421.0003 2689.1031 0.0000 0.0000 52324.9537 -109286.0518 300.7122 -161611.0055 -108927.9359 299.1483 81.7760 116.9691 761409.1032 -22.9752 -23.0070 PRESSURE: 4071000 424.334 171.292 98.9045 171.293 243.26 17.8776 98.9049 17.8773 94.477 GPRESSURE: 4071000 453.705 235.716 114.932 170.699 290.494 48.3953 26.3482 -17.1031 112.293 PRESSAVG: 4071000 20.3914 -23.4881 -1.81086 -23.4881 28.0088 13.0925 -1.81089 13.0925 -19.613 GPRESSAVG: 4071000 20.5407 -21.7563 -2.49719 -24.7649 28.6329 11.4676 -2.10625 15.8549 -20.5218 TIMING: 4071000 CPU: 12926.3, 0.00312727/step Wall: 12926.3, 0.00312727/step, 0.80701 hours remaining, 239.894531 MB of memory in use. ENERGY: 4071000 3969.6319 20499.8744 14479.2900 253.7373 -203459.3591 2837.8839 0.0000 0.0000 51861.0400 -109557.9017 298.0461 -161418.9417 -109194.8623 299.6091 254.0235 285.4973 761742.3586 9.5957 9.5506 PRESSURE: 4071200 143.427 -111.678 24.0234 -111.678 -50.3508 -137.41 24.0228 -137.41 111.625 GPRESSURE: 4071200 171.201 -111.856 6.48107 -30.1977 -22.3161 -196.127 20.6242 -196.584 122.615 PRESSAVG: 4071200 -16.6987 -12.482 32.8158 -12.482 3.79934 6.36388 32.8158 6.36375 7.2335 GPRESSAVG: 4071200 -16.47 -14.7931 31.6449 -10.2539 2.49341 6.34474 32.0364 6.03902 8.24508 TIMING: 4071200 CPU: 12926.9, 0.00311219/step Wall: 12926.9, 0.00311219/step, 0.802946 hours remaining, 239.894531 MB of memory in use. ENERGY: 4071200 4065.6257 20443.4397 14425.3661 248.3865 -203606.2017 2582.5822 0.0000 0.0000 52482.0209 -109358.7807 301.6149 -161840.8016 -108987.3340 299.2307 68.2338 90.4999 760342.5820 -1.8886 -1.9105 PRESSURE: 4071400 192.098 49.0102 -17.5823 49.0108 -194.712 71.6426 -17.5828 71.6423 -58.6945 GPRESSURE: 4071400 231.215 6.0788 1.81476 3.70552 -107.025 -27.36 78.3746 167.988 -85.3739 PRESSAVG: 4071400 1.93822 11.2385 20.1482 11.2385 -11.9341 -25.4275 20.1481 -25.4275 5.019 GPRESSAVG: 4071400 2.13876 13.368 21.2698 11.0455 -11.1578 -24.5994 20.2536 -26.4512 4.38398 TIMING: 4071400 CPU: 12927.6, 0.00312696/step Wall: 12927.6, 0.00312696/step, 0.806583 hours remaining, 239.894531 MB of memory in use. ENERGY: 4071400 4030.2040 20591.1080 14470.6587 225.7315 -203256.7190 2433.6982 0.0000 0.0000 52171.3696 -109333.9490 299.8296 -161505.3186 -108962.0958 299.6326 -20.4361 12.9389 760381.2390 -1.6590 -1.5450 PRESSURE: 4071600 -26.6102 -249.144 47.4811 -249.143 139.088 -83.7609 47.4813 -83.7614 -34.7275 GPRESSURE: 4071600 35.4419 -264.018 141.871 -330.543 205.235 -7.48879 17.6317 -88.3326 -71.0237 PRESSAVG: 4071600 18.9705 -18.3235 -10.6218 -18.3235 -6.37801 -16.1331 -10.6218 -16.1332 0.281969 GPRESSAVG: 4071600 17.9771 -17.8096 -9.24829 -19.7099 -5.34172 -15.2051 -11.7834 -16.4372 0.577013 TIMING: 4071600 CPU: 12928.2, 0.00311366/step Wall: 12928.2, 0.00311366/step, 0.802979 hours remaining, 239.894531 MB of memory in use. ENERGY: 4071600 3995.5458 20444.2408 14474.8672 258.5961 -203375.8544 2692.1183 0.0000 0.0000 52028.1213 -109482.3650 299.0063 -161510.4863 -109113.4282 299.4169 25.9167 56.5512 761389.9548 4.2915 4.4041 PRESSURE: 4071800 303.503 169.273 -68.4442 169.274 -162.54 -201.205 -68.444 -201.206 -370.292 GPRESSURE: 4071800 272.484 97.2238 -9.95766 300.666 -100.769 -113.406 -166.963 -148.159 -330.444 PRESSAVG: 4071800 39.3724 -46.351 -38.9914 -46.351 -11.0832 -24.4026 -38.9914 -24.4025 2.54097 GPRESSAVG: 4071800 40.7222 -46.8293 -39.7583 -43.2178 -12.3836 -24.5635 -39.5186 -25.2159 2.24755 TIMING: 4071800 CPU: 12928.8, 0.00311183/step Wall: 12928.8, 0.00311183/step, 0.802334 hours remaining, 239.894531 MB of memory in use. ENERGY: 4071800 4103.3330 20501.1115 14458.9625 262.2486 -203589.1583 2725.3842 0.0000 0.0000 51963.1786 -109574.9398 298.6331 -161538.1184 -109207.2874 298.7199 -76.4434 -52.9100 760129.0611 10.2767 10.1954 PRESSURE: 4072000 -213.096 -150.28 -225.124 -150.279 -185.838 22.1572 -225.124 22.1576 -447.961 GPRESSURE: 4072000 -155.045 2.62186 -241.601 -101.041 -190.826 12.0117 -167.227 82.0268 -448.375 PRESSAVG: 4072000 51.5003 -26.0993 -12.2609 -26.0993 -7.27244 19.451 -12.2609 19.451 10.4028 GPRESSAVG: 4072000 51.5185 -26.0957 -13.5105 -28.5609 -7.4065 20.4194 -10.8378 19.296 10.5327 TIMING: 4072000 CPU: 12929.4, 0.00310482/step Wall: 12929.4, 0.00310482/step, 0.800355 hours remaining, 239.894531 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: 4072000 4016.2352 20478.5598 14491.1569 267.1035 -203397.5585 2287.5485 0.0000 0.0000 52121.9647 -109734.9899 299.5456 -161856.9547 -109368.2112 298.6362 -282.2985 -264.7489 759650.7111 18.2102 18.2149 PRESSURE: 4072200 29.7331 -173.53 -204.745 -173.53 -141.762 130.236 -204.745 130.236 -396.359 GPRESSURE: 4072200 65.3201 -1.22784 -154.478 -119.903 -103.144 183.164 -193.946 156.218 -391.098 PRESSAVG: 4072200 35.5954 -42.9661 -27.0779 -42.9661 -53.4394 -31.4711 -27.0778 -31.4712 -20.9377 GPRESSAVG: 4072200 34.6823 -42.6131 -26.3388 -42.8395 -52.4183 -33.0837 -26.727 -31.0085 -21.025 TIMING: 4072200 CPU: 12930, 0.00310076/step Wall: 12930, 0.00310076/step, 0.799135 hours remaining, 239.894531 MB of memory in use. ENERGY: 4072200 3949.0559 20467.1915 14496.0888 251.7962 -203709.0293 2650.6710 0.0000 0.0000 52122.5687 -109771.6572 299.5491 -161894.2259 -109393.2321 298.9234 -169.4627 -142.9743 761735.9134 -12.9272 -12.9203 LDB: ============= START OF LOAD BALANCING ============== 12942.5 LDB: ============== END OF LOAD BALANCING =============== 12942.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12942.5 LDB: ============= START OF LOAD BALANCING ============== 12942.8 LDB: Largest compute 7055 load 0.036378 is 18.6% of average load 0.195299 LDB: Average compute 0.004395 is 2.3% of average load 0.195299 LDB: TIME 12942.8 LOAD: AVG 0.195299 MAX 0.216999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 12942.8 LOAD: AVG 0.195299 MAX 0.216999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 12942.8 LOAD: AVG 0.195299 MAX 0.216999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 12942.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12942.8 PRESSURE: 4072400 -300.089 142.632 198.326 142.632 175.504 -152.914 198.326 -152.914 -101.237 GPRESSURE: 4072400 -308.833 200.309 166.412 186.446 269.188 -109.257 163.526 -122.095 -96.687 PRESSAVG: 4072400 43.3189 -25.9006 -4.37384 -25.9007 -21.0899 -14.8713 -4.37387 -14.8713 41.729 GPRESSAVG: 4072400 43.6781 -25.2061 -5.92411 -25.5937 -21.624 -13.9352 -4.52624 -14.8033 42.1476 TIMING: 4072400 CPU: 12930.7, 0.0031781/step Wall: 12930.7, 0.0031781/step, 0.818891 hours remaining, 240.039062 MB of memory in use. ENERGY: 4072400 3978.2409 20642.5484 14405.6206 246.4844 -203457.0134 2703.3583 0.0000 0.0000 51801.8845 -109678.8762 297.7061 -161480.7607 -109322.7085 298.5729 -75.2742 -45.4439 762233.7789 21.3193 21.4006 PRESSURE: 4072600 -409.456 -174.207 59.5422 -174.209 -329.282 125.934 59.5414 125.935 -40.1812 GPRESSURE: 4072600 -332.582 -194.363 -55.616 -114.048 -289.903 69.211 278.427 81.362 -74.529 PRESSAVG: 4072600 -3.21105 13.8475 17.7077 13.8474 -42.3579 -44.1708 17.7077 -44.1708 7.61172 GPRESSAVG: 4072600 -2.61436 12.8456 16.4487 13.9389 -41.7581 -45.5314 16.2061 -43.7384 6.87206 TIMING: 4072600 CPU: 12931.3, 0.00311812/step Wall: 12931.3, 0.00311813/step, 0.803264 hours remaining, 240.242188 MB of memory in use. ENERGY: 4072600 3985.9898 20472.3288 14516.1177 231.4317 -203440.7581 2544.1781 0.0000 0.0000 52007.5650 -109683.1470 298.8882 -161690.7121 -109324.7597 298.8519 -259.6395 -232.3378 760884.6791 -12.6524 -12.5001 PRESSURE: 4072800 -153.752 -1.91181 -16.5604 -1.91285 -119.423 144.035 -16.5611 144.035 171.569 GPRESSURE: 4072800 -98.9428 38.784 6.9922 -53.4234 -119.231 180.457 76.4501 238.836 190.236 PRESSAVG: 4072800 34.6204 -8.48105 6.56914 -8.4811 -68.7334 10.0752 6.56914 10.0752 8.43083 GPRESSAVG: 4072800 34.1814 -7.35893 8.70826 -10.1057 -68.666 10.5149 8.25106 11.3268 8.61407 TIMING: 4072800 CPU: 12931.9, 0.00312825/step Wall: 12931.9, 0.00312825/step, 0.805699 hours remaining, 240.242188 MB of memory in use. ENERGY: 4072800 3900.9225 20386.4008 14468.0075 245.6535 -203068.8268 2421.0947 0.0000 0.0000 52182.9983 -109463.7495 299.8964 -161646.7478 -109097.5251 299.2847 -33.8685 -9.3127 760614.4999 -8.5607 -8.6235 PRESSURE: 4073000 257.213 61.093 60.4587 61.0936 -130.308 176.071 60.4598 176.07 -84.7639 GPRESSURE: 4073000 235.507 -10.5319 101.331 34.9577 -77.1456 203.084 86.0597 85.9634 -10.1433 PRESSAVG: 4073000 21.6208 -9.26012 33.6714 -9.26014 14.9377 20.7097 33.6715 20.7097 12.0159 GPRESSAVG: 4073000 21.1645 -10.0115 32.0867 -10.4395 15.2624 21.3462 33.4987 20.0525 11.6906 TIMING: 4073000 CPU: 12932.5, 0.00312743/step Wall: 12932.5, 0.00312743/step, 0.805314 hours remaining, 240.242188 MB of memory in use. ENERGY: 4073000 3910.1156 20234.9051 14522.4490 256.8400 -203407.0944 2717.5757 0.0000 0.0000 52120.1467 -109645.0623 299.5352 -161765.2090 -109289.9812 299.0780 14.0469 49.4059 758392.3710 16.1915 16.0392 PRESSURE: 4073200 -111.875 51.5957 -136.06 51.5954 102.571 -15.4285 -136.061 -15.4291 165.049 GPRESSURE: 4073200 -11.7182 -7.58989 -172.031 25.1312 101.63 75.9943 -118.312 -1.51738 149.725 PRESSAVG: 4073200 23.8517 7.23816 11.4954 7.23809 -5.5181 30.5073 11.4954 30.5074 14.6 GPRESSAVG: 4073200 23.4856 6.12898 12.0053 7.68299 -5.9532 29.9674 9.50597 30.0759 15.6903 TIMING: 4073200 CPU: 12933.2, 0.00313064/step Wall: 12933.2, 0.00313064/step, 0.805965 hours remaining, 240.242188 MB of memory in use. ENERGY: 4073200 3890.8638 20355.2491 14551.3920 248.0231 -202667.7762 2248.2915 0.0000 0.0000 51894.3415 -109479.6153 298.2375 -161373.9568 -109112.7030 298.8589 51.9152 79.8792 760775.4621 10.9779 11.0742 PRESSURE: 4073400 243.229 -120.915 159.994 -120.915 184.555 -28.493 159.994 -28.4922 -189.695 GPRESSURE: 4073400 241.707 89.4015 164.291 -75.3188 160.589 -70.0314 130.163 143.554 -110.312 PRESSAVG: 4073400 -16.2488 -52.8361 45.0885 -52.8361 21.0884 23.7991 45.0886 23.799 -0.906424 GPRESSAVG: 4073400 -15.566 -49.5879 45.2541 -52.5578 20.8256 24.1345 46.5728 24.2175 -1.11306 TIMING: 4073400 CPU: 12933.8, 0.00312982/step Wall: 12933.8, 0.00312982/step, 0.805582 hours remaining, 240.242188 MB of memory in use. ENERGY: 4073400 4011.1352 20230.3162 14464.5911 250.4307 -203231.5107 2668.0754 0.0000 0.0000 51969.0705 -109637.8917 298.6670 -161606.9621 -109280.4645 298.8929 79.3629 97.3279 761263.0627 1.3110 1.3822 PRESSURE: 4073600 262.398 58.7511 101.728 58.7519 306.037 91.6372 101.728 91.6376 -17.8209 GPRESSURE: 4073600 363.154 60.0372 75.8906 -11.8994 262.867 86.3157 239.006 89.1869 5.72548 PRESSAVG: 4073600 -22.4131 -3.10387 -59.8358 -3.10386 25.5544 24.2082 -59.8357 24.2082 27.1995 GPRESSAVG: 4073600 -22.8232 -5.65999 -59.5334 -2.85379 25.8827 24.9528 -61.0075 24.1072 27.2213 TIMING: 4073600 CPU: 12934.4, 0.00312821/step Wall: 12934.4, 0.00312821/step, 0.804994 hours remaining, 240.242188 MB of memory in use. ENERGY: 4073600 3931.4311 20338.6559 14478.4588 247.9029 -203110.0282 2668.3466 0.0000 0.0000 52098.2394 -109346.9935 299.4093 -161445.2329 -108996.0968 298.4787 183.5382 210.5821 760251.1968 10.1136 10.0936 PRESSURE: 4073800 57.236 161.092 211.116 161.092 156.806 224.46 211.116 224.459 122.792 GPRESSURE: 4073800 66.563 269.972 151.614 229.273 149.344 210.814 304.918 359.486 201.642 PRESSAVG: 4073800 28.5497 -43.4127 -2.67638 -43.4128 -17.371 30.1306 -2.67637 30.1306 0.815459 GPRESSAVG: 4073800 29.0022 -42.8461 -2.27084 -42.0516 -18.6875 29.2626 -0.548438 31.3021 1.50713 TIMING: 4073800 CPU: 12935.1, 0.0031219/step Wall: 12935.1, 0.0031219/step, 0.803196 hours remaining, 240.242188 MB of memory in use. ENERGY: 4073800 4001.4615 20464.8263 14443.3447 247.3819 -202848.3491 2366.9895 0.0000 0.0000 51932.5781 -109391.7673 298.4572 -161324.3453 -109042.6587 298.6116 112.2780 139.1831 761461.5802 3.9981 3.9406 PRESSURE: 4074000 -215.596 30.082 92.1168 30.0819 -100.389 -97.2103 92.1167 -97.2117 125.306 GPRESSURE: 4074000 -163.062 -50.1652 59.3361 -61.9423 -53.577 7.25439 12.8242 13.7712 104.203 PRESSAVG: 4074000 -22.9836 -25.7611 50.6814 -25.7611 15.0516 33.6255 50.6813 33.6256 -10.9801 GPRESSAVG: 4074000 -23.1971 -26.8916 50.4184 -25.4543 15.8362 33.1284 48.2288 33.3863 -11.636 TIMING: 4074000 CPU: 12935.7, 0.00313088/step Wall: 12935.7, 0.00313088/step, 0.805332 hours remaining, 240.242188 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: 4074000 3983.8040 20276.8823 14416.6539 223.5071 -203261.8019 2744.3490 0.0000 0.0000 52154.6067 -109461.9989 299.7332 -161616.6056 -109087.1931 298.8655 -63.5594 -37.4788 761669.5956 -6.3040 -6.3323 PRESSURE: 4074200 7.86915 -47.0913 7.51616 -47.0921 -120.831 -300.265 7.51604 -300.265 -56.7034 GPRESSURE: 4074200 5.17463 -13.1965 -52.0914 -165.308 -37.723 -272.183 51.1318 -399.791 -55.8111 PRESSAVG: 4074200 -38.578 -49.6771 -20.0442 -49.6771 70.3887 12.2782 -20.0441 12.2782 0.0625385 GPRESSAVG: 4074200 -37.9327 -50.4914 -19.0533 -50.1137 70.6156 13.178 -19.4199 11.8607 -0.440211 TIMING: 4074200 CPU: 12936.3, 0.00312656/step Wall: 12936.3, 0.00312656/step, 0.804047 hours remaining, 240.242188 MB of memory in use. ENERGY: 4074200 3959.1418 20412.9905 14454.1562 215.4321 -202793.3133 2301.5989 0.0000 0.0000 52013.3990 -109436.5949 298.9217 -161449.9940 -109088.9434 299.0175 -56.5549 -29.4532 760894.1518 10.6244 10.7475 PRESSURE: 4074400 101.763 146.854 -84.3177 146.855 -148.876 -175.313 -84.318 -175.312 44.569 GPRESSURE: 4074400 175.461 170.643 -96.892 99.8697 -93.2922 -127.5 -61.6573 -58.8257 -8.86488 PRESSAVG: 4074400 -40.3326 -33.2665 -29.3186 -33.2664 31.3963 4.47948 -29.3186 4.47952 -10.4823 GPRESSAVG: 4074400 -41.8065 -32.8165 -31.3784 -34.0869 33.1519 3.45964 -28.7233 5.31188 -10.8661 TIMING: 4074400 CPU: 12936.9, 0.00312529/step Wall: 12936.9, 0.00312529/step, 0.803547 hours remaining, 240.242188 MB of memory in use. ENERGY: 4074400 3941.6681 20612.2125 14429.3201 252.3415 -203074.3379 2599.2341 0.0000 0.0000 51888.8010 -109350.7606 298.2057 -161239.5616 -108989.3446 299.0845 -0.8482 24.4347 761029.5134 -6.4729 -6.5069 PRESSURE: 4074600 -514.99 -146.471 -134.309 -146.471 -153.897 -25.7908 -134.308 -25.7907 -5.61369 GPRESSURE: 4074600 -416.761 -141.095 -82.7475 16.9023 -186.302 25.91 -95.6477 -90.9491 22.1285 PRESSAVG: 4074600 10.5132 -79.4851 -1.03595 -79.4851 14.5689 9.50889 -1.03602 9.50888 8.18137 GPRESSAVG: 4074600 11.3183 -78.385 -0.198765 -76.8413 13.0969 11.2584 0.0598959 8.50886 9.19763 TIMING: 4074600 CPU: 12937.6, 0.00313571/step Wall: 12937.6, 0.00313571/step, 0.806051 hours remaining, 240.242188 MB of memory in use. ENERGY: 4074600 3877.9895 20498.6979 14407.9852 253.4468 -202949.7313 2227.7200 0.0000 0.0000 52227.0388 -109456.8531 300.1495 -161683.8919 -109085.6703 299.2093 -224.8336 -193.6447 761072.8973 11.0878 11.2043 PRESSURE: 4074800 -71.8097 197.932 -34.2556 197.933 -156.088 -190.139 -34.2556 -190.139 25.1697 GPRESSURE: 4074800 -38.174 57.0879 -34.4266 170.342 -76.7584 -156.535 -77.6987 -203.366 1.27662 PRESSAVG: 4074800 -7.58854 -42.3057 -1.16295 -42.3058 4.27222 -5.79491 -1.16293 -5.79483 -0.517028 GPRESSAVG: 4074800 -8.31904 -41.7113 -0.379641 -43.2348 5.02345 -6.84437 0.145318 -7.47236 -0.312703 TIMING: 4074800 CPU: 12938.2, 0.00311347/step Wall: 12938.2, 0.00311347/step, 0.800161 hours remaining, 240.242188 MB of memory in use. ENERGY: 4074800 4063.1188 20545.7042 14464.0011 242.1176 -203170.2860 2634.1832 0.0000 0.0000 51726.9656 -109494.1955 297.2756 -161221.1611 -109132.5393 299.2391 -67.5761 -37.8853 761741.6001 -1.2778 -1.2028 PRESSURE: 4075000 282.793 37.9549 -138.916 37.955 108.396 -117.115 -138.916 -117.116 263.324 GPRESSURE: 4075000 244.515 -28.7248 -114.448 66.3361 149.277 -97.4284 -166.997 53.7681 342.825 PRESSAVG: 4075000 27.1426 1.79977 14.8459 1.79985 24.3834 4.45966 14.8459 4.4597 0.485487 GPRESSAVG: 4075000 28.05 -2.30679 13.5271 3.13192 24.0603 2.72181 14.6638 6.68455 -0.572228 TIMING: 4075000 CPU: 12938.8, 0.00313801/step Wall: 12938.8, 0.00313801/step, 0.806294 hours remaining, 240.242188 MB of memory in use. ENERGY: 4075000 3935.9241 20487.1783 14482.5818 248.9026 -203600.9061 2861.0829 0.0000 0.0000 51991.6846 -109593.5518 298.7969 -161585.2364 -109226.3117 299.1225 218.1707 245.5387 760776.3261 17.3372 17.1794 PRESSURE: 4075200 182.722 1.0502 -29.9602 1.05037 -235.722 92.3728 -29.9608 92.3726 -222.732 GPRESSURE: 4075200 181.116 -9.74054 -37.1273 118.766 -184.911 56.5916 -67.9606 121.283 -204.385 PRESSAVG: 4075200 -1.32919 -9.83703 43.4373 -9.83695 6.34067 15.7724 43.4372 15.7724 5.66759 GPRESSAVG: 4075200 -1.33544 -7.02264 44.1228 -11.5786 5.36985 15.1853 40.6754 17.8072 6.19463 TIMING: 4075200 CPU: 12939.4, 0.00313853/step Wall: 12939.4, 0.00313853/step, 0.806254 hours remaining, 240.242188 MB of memory in use. ENERGY: 4075200 3954.0108 20444.1334 14354.3909 253.8547 -203060.0457 2415.7091 0.0000 0.0000 51949.0293 -109688.9174 298.5518 -161637.9467 -109331.9992 298.5694 -91.9109 -69.3932 760227.6706 3.5597 3.4097 PRESSURE: 4075400 264.984 135.498 -243.732 135.498 -28.2389 224.863 -243.732 224.864 18.2673 GPRESSURE: 4075400 337.839 26.5321 -272.94 221.543 -99.6717 312.736 -170.633 109.594 86.1187 PRESSAVG: 4075400 -25.1958 -12.5579 17.9601 -12.5578 -3.89956 6.10359 17.9601 6.10357 2.31681 GPRESSAVG: 4075400 -25.6203 -12.397 17.6925 -10.7241 -2.96133 7.71825 19.2533 3.30155 2.49113 TIMING: 4075400 CPU: 12940.1, 0.00313955/step Wall: 12940.1, 0.00313955/step, 0.80634 hours remaining, 240.242188 MB of memory in use. ENERGY: 4075400 3977.3528 20502.5473 14433.3411 260.2392 -202702.1509 2304.3815 0.0000 0.0000 52004.6521 -109219.6369 298.8715 -161224.2890 -108856.3645 298.9974 85.0042 108.0953 761700.5708 -8.9262 -8.6968 PRESSURE: 4075600 270.716 147.887 -123.194 147.887 275.1 -27.5051 -123.194 -27.5044 234.749 GPRESSURE: 4075600 282.545 84.972 -100.049 196.709 250.903 -20.6084 -35.5655 -62.7692 328.305 PRESSAVG: 4075600 7.1239 28.6044 35.1644 28.6044 12.7163 22.4596 35.1643 22.4595 -27.6672 GPRESSAVG: 4075600 6.69688 30.7577 34.5045 27.3593 13.1016 21.4539 36.9888 24.3877 -27.9311 TIMING: 4075600 CPU: 12940.7, 0.0031514/step Wall: 12940.7, 0.0031514/step, 0.80921 hours remaining, 240.242188 MB of memory in use. ENERGY: 4075600 3929.1251 20342.5272 14491.1857 256.8177 -203007.8803 2458.1201 0.0000 0.0000 52089.2666 -109440.8379 299.3577 -161530.1045 -109080.2102 299.3218 260.1884 287.2507 760527.3597 -2.6090 -2.7109 PRESSURE: 4075800 181.093 -3.30994 -85.6639 -3.31009 -144.898 96.6574 -85.6633 96.6565 -36.7383 GPRESSURE: 4075800 186.473 -55.7182 -72.264 101.977 -54.1584 -28.9451 -24.5666 -1.16389 -28.6514 PRESSAVG: 4075800 52.494 18.2388 22.1836 18.2388 25.6432 15.3432 22.1835 15.3433 -13.292 GPRESSAVG: 4075800 52.4353 14.9678 20.3336 18.5305 25.0885 16.3609 21.4843 15.5668 -12.3547 TIMING: 4075800 CPU: 12941.3, 0.00312884/step Wall: 12941.3, 0.00312884/step, 0.803242 hours remaining, 240.242188 MB of memory in use. ENERGY: 4075800 3965.4215 20402.5036 14481.7816 246.2362 -202822.0488 2370.9615 0.0000 0.0000 51820.6885 -109534.4558 297.8142 -161355.1443 -109173.2402 298.9883 -0.1811 34.5544 760312.3540 21.6151 21.7231 PRESSURE: 4076000 -142.229 197.186 -200.594 197.186 -1.98734 -111.564 -200.594 -111.564 109.323 GPRESSURE: 4076000 -78.0057 156.103 -135.934 46.3578 86.8084 -154.88 -273.578 -10.8285 60.2043 PRESSAVG: 4076000 -24.0946 11.6347 6.86378 11.6347 -8.42195 -1.25198 6.86382 -1.25199 15.6005 GPRESSAVG: 4076000 -22.824 12.2471 9.24928 12.405 -8.88548 -1.28619 6.19108 -3.09024 14.4133 TIMING: 4076000 CPU: 12941.9, 0.00312669/step Wall: 12941.9, 0.00312669/step, 0.802517 hours remaining, 240.242188 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: 4076000 3990.3624 20340.5514 14472.9047 251.1817 -202961.3721 2422.8831 0.0000 0.0000 52072.6138 -109410.8750 299.2620 -161483.4889 -109059.6797 298.9306 -11.6310 23.0023 760187.7006 -5.6387 -5.7654 PRESSURE: 4076200 -35.3849 64.941 -105.13 64.9411 117.411 -6.97626 -105.129 -6.97556 66.7251 GPRESSURE: 4076200 -25.3031 96.3418 -185.334 104.663 128.484 50.2786 -108.869 21.0696 136.08 PRESSAVG: 4076200 2.94587 -4.7223 -16.6172 -4.72231 -26.1387 29.4455 -16.6171 29.4455 0.396554 GPRESSAVG: 4076200 0.252903 -2.77678 -17.7361 -6.1641 -25.2727 29.8115 -16.5484 30.5404 2.2078 TIMING: 4076200 CPU: 12942.6, 0.00310334/step Wall: 12942.6, 0.00310334/step, 0.796351 hours remaining, 240.242188 MB of memory in use. ENERGY: 4076200 3928.1652 20304.7096 14491.8518 232.8128 -203490.0298 2727.6411 0.0000 0.0000 52335.3391 -109469.5102 300.7719 -161804.8492 -109101.7841 299.0719 49.5836 79.7536 762373.3205 -7.5988 -7.6040 LDB: ============= START OF LOAD BALANCING ============== 12955 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12955 LDB: =============== DONE WITH MIGRATION ================ 12955 LDB: ============= START OF LOAD BALANCING ============== 12955.3 LDB: Largest compute 7055 load 0.036972 is 18.9% of average load 0.195311 LDB: Average compute 0.004412 is 2.3% of average load 0.195311 LDB: TIME 12955.3 LOAD: AVG 0.195311 MAX 0.217571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 12955.3 LOAD: AVG 0.195311 MAX 0.217571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 12955.3 LOAD: AVG 0.195311 MAX 0.217571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 12955.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12955.3 PRESSURE: 4076400 -586.259 19.4196 -129.56 19.4191 -37.0579 278.265 -129.561 278.266 86.5223 GPRESSURE: 4076400 -520.681 25.8048 -74.8301 68.6721 -29.5252 219.574 44.2772 211.076 93.4038 PRESSAVG: 4076400 -21.4926 -44.9003 -34.7533 -44.9003 16.7002 38.4238 -34.7533 38.4238 -4.00121 GPRESSAVG: 4076400 -20.0274 -45.0196 -33.088 -45.3367 16.5961 36.708 -33.0569 39.0067 -5.49557 TIMING: 4076400 CPU: 12943.2, 0.00317526/step Wall: 12943.2, 0.00317526/step, 0.81463 hours remaining, 240.808594 MB of memory in use. ENERGY: 4076400 3906.8620 20361.6210 14472.4951 251.1787 -203050.0666 2281.1832 0.0000 0.0000 52171.8759 -109604.8509 299.8325 -161776.7267 -109226.2746 299.2746 -178.9315 -152.2676 763108.7176 -2.9312 -2.9756 PRESSURE: 4076600 369.891 168.404 125.64 168.405 93.2169 -151.336 125.639 -151.335 -0.133013 GPRESSURE: 4076600 358.047 68.2577 35.1463 98.3027 128.617 -159.093 162.042 -12.9141 53.9496 PRESSAVG: 4076600 -55.1936 5.29323 0.276072 5.29324 71.779 25.1344 0.276055 25.1343 13.5704 GPRESSAVG: 4076600 -55.552 4.8302 0.856256 5.37582 71.9883 26.5809 -1.9604 25.1244 13.7349 TIMING: 4076600 CPU: 12943.8, 0.00311336/step Wall: 12943.8, 0.00311336/step, 0.798577 hours remaining, 241.011719 MB of memory in use. ENERGY: 4076600 3973.9991 20369.3245 14433.9991 278.5985 -203187.3062 2499.4843 0.0000 0.0000 51909.3094 -109722.5914 298.3235 -161631.9007 -109364.3115 298.6427 154.3249 180.2045 760635.0299 10.0519 10.0571 PRESSURE: 4076800 -10.3366 155.543 -71.8358 155.542 -67.7058 -95.2135 -71.836 -95.2134 -293.526 GPRESSURE: 4076800 43.8812 166.516 -84.9675 209.349 -57.8777 -185.112 -8.73764 -157.193 -294.548 PRESSAVG: 4076800 18.4463 12.4791 21.4398 12.479 17.932 9.52831 21.4398 9.52829 31.4598 GPRESSAVG: 4076800 18.2449 12.228 19.5293 14.7485 17.6117 7.4233 22.3573 8.54975 31.565 TIMING: 4076800 CPU: 12944.4, 0.00312092/step Wall: 12944.4, 0.00312092/step, 0.800342 hours remaining, 241.011719 MB of memory in use. ENERGY: 4076800 3940.7909 20469.2641 14491.5926 253.1205 -203380.4898 2346.9438 0.0000 0.0000 52196.9285 -109681.8494 299.9765 -161878.7779 -109331.3115 299.0444 -123.8560 -102.8482 760425.0115 22.6127 22.4739 PRESSURE: 4077000 6.94641 76.1518 201.452 76.1516 -320.077 -53.624 201.453 -53.6236 -215.17 GPRESSURE: 4077000 6.29081 62.9708 248.178 59.7421 -234.896 -51.2578 126.71 -132.229 -226.119 PRESSAVG: 4077000 47.9092 17.149 60.7233 17.1491 -36.725 -21.1581 60.7233 -21.1581 7.31375 GPRESSAVG: 4077000 48.4684 19.7094 60.7297 15.4671 -36.4983 -20.0028 61.8104 -21.5873 6.71955 TIMING: 4077000 CPU: 12945.1, 0.0031034/step Wall: 12945.1, 0.0031034/step, 0.795678 hours remaining, 241.011719 MB of memory in use. ENERGY: 4077000 3981.6678 20534.4063 14372.8685 243.1591 -203172.8087 2392.8032 0.0000 0.0000 52119.1563 -109528.7476 299.5295 -161647.9039 -109157.7056 299.4205 -176.1003 -151.5747 760769.2309 6.1660 6.2299 PRESSURE: 4077200 -224.026 102.003 57.4526 102.003 79.2701 113.892 57.4531 113.892 207.446 GPRESSURE: 4077200 -23.8813 19.6536 53.5953 84.6095 -9.33901 27.018 94.2328 116.248 164.785 PRESSAVG: 4077200 2.37117 -13.6993 47.2767 -13.6993 22.3216 -2.03658 47.2766 -2.03655 -20.8765 GPRESSAVG: 4077200 2.25562 -16.1536 46.9466 -14.075 21.1162 -2.86255 45.8143 -1.53022 -20.1192 TIMING: 4077200 CPU: 12945.7, 0.00311321/step Wall: 12945.7, 0.00311321/step, 0.79802 hours remaining, 241.011719 MB of memory in use. ENERGY: 4077200 4004.1539 20513.9066 14513.7246 254.0769 -203266.4507 2419.3555 0.0000 0.0000 52101.6278 -109459.6054 299.4288 -161561.2331 -109104.2190 299.6170 20.8967 43.8550 761468.3639 1.2721 1.0842 PRESSURE: 4077400 -208.238 148.863 83.2079 148.863 -156.684 -376.896 83.2069 -376.896 -94.6582 GPRESSURE: 4077400 -187.066 189.19 36.8434 207.992 -175.137 -288.056 -12.9218 -282.169 -31.0718 PRESSAVG: 4077400 30.5305 -24.8251 34.33 -24.8251 -21.5243 12.0949 34.33 12.0949 14.9149 GPRESSAVG: 4077400 31.2489 -24.1897 35.699 -25.3122 -21.136 13.701 33.9495 12.2762 14.334 TIMING: 4077400 CPU: 12946.3, 0.00313378/step Wall: 12946.3, 0.00313378/step, 0.803117 hours remaining, 241.011719 MB of memory in use. ENERGY: 4077400 4016.1130 20674.6487 14458.4212 237.1265 -203309.7037 2475.3064 0.0000 0.0000 51948.5908 -109499.4972 298.5493 -161448.0880 -109130.1122 299.8242 -153.1932 -131.0914 759954.1175 7.9737 8.1490 PRESSURE: 4077600 6.38955 66.9511 46.5549 66.9509 216.379 119.037 46.5549 119.037 381.481 GPRESSURE: 4077600 64.4166 164.595 138.249 -32.3946 191.886 160.943 130.971 30.4908 449.035 PRESSAVG: 4077600 8.69086 14.6561 35.9094 14.6562 -40.1563 5.07898 35.9094 5.07895 22.1309 GPRESSAVG: 4077600 7.84364 15.0509 37.0971 15.4023 -38.6911 4.24892 35.8088 6.12961 21.4201 TIMING: 4077600 CPU: 12946.9, 0.00313144/step Wall: 12946.9, 0.00313144/step, 0.802344 hours remaining, 241.011719 MB of memory in use. ENERGY: 4077600 3974.7003 20469.8858 14505.7534 264.1165 -203581.8834 2881.4230 0.0000 0.0000 52045.5597 -109440.4446 299.1065 -161486.0043 -109083.5066 299.6942 201.4164 235.1125 761796.2216 -3.1115 -3.1425 PRESSURE: 4077800 380.525 -160.031 -94.4596 -160.032 -414.843 270.911 -94.4614 270.912 648.353 GPRESSURE: 4077800 330.679 -205.487 -21.8266 -156.768 -225.727 300.285 -108.144 246.832 598.379 PRESSAVG: 4077800 24.2009 -41.2752 7.37602 -41.2752 -31.1297 8.9208 7.37602 8.92093 -17.027 GPRESSAVG: 4077800 23.896 -43.2304 6.90986 -39.952 -31.1423 8.11963 8.72921 7.38711 -16.8929 TIMING: 4077800 CPU: 12947.6, 0.00312261/step Wall: 12947.6, 0.00312261/step, 0.79991 hours remaining, 241.011719 MB of memory in use. ENERGY: 4077800 4014.6716 20555.2025 14517.4753 252.0669 -203601.5620 2588.7927 0.0000 0.0000 52253.5881 -109419.7650 300.3021 -161673.3531 -109060.5601 299.7349 204.6783 234.4438 759240.2042 -7.9853 -8.0464 PRESSURE: 4078000 51.3414 185.619 180.42 185.618 288.89 413.523 180.42 413.523 288.735 GPRESSURE: 4078000 39.8489 70.1684 193.255 190.157 358.13 323.905 147.371 503.775 296.753 PRESSAVG: 4078000 63.4948 -87.671 -0.503298 -87.671 -80.3149 -3.18515 -0.503415 -3.18509 5.50794 GPRESSAVG: 4078000 63.4863 -86.0289 -0.595834 -89.3274 -79.8593 -1.58707 -1.20187 -1.81452 5.37023 TIMING: 4078000 CPU: 12948.2, 0.00313111/step Wall: 12948.2, 0.00313112/step, 0.801913 hours remaining, 241.011719 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: 4078000 3939.8471 20552.9982 14455.9902 248.7773 -203498.3195 2838.7966 0.0000 0.0000 51997.6401 -109464.2700 298.8312 -161461.9101 -109101.0549 299.7520 209.6552 231.5776 761027.9165 -3.7707 -3.6676 PRESSURE: 4078200 100.091 -156.288 39.0252 -156.289 -271.853 -263.736 39.0261 -263.735 294.633 GPRESSURE: 4078200 82.2797 -114.693 138.02 -81.1039 -89.098 -224.583 -30.0888 -167.328 236.012 PRESSAVG: 4078200 -18.0931 20.8525 -12.2549 20.8525 21.2409 -42.1674 -12.2549 -42.1672 -2.72388 GPRESSAVG: 4078200 -18.0649 22.1534 -11.9088 19.5068 21.0159 -42.6303 -12.4752 -40.7969 -3.05324 TIMING: 4078200 CPU: 12948.8, 0.00313235/step Wall: 12948.8, 0.00313235/step, 0.802055 hours remaining, 241.011719 MB of memory in use. ENERGY: 4078200 3998.1255 20439.1005 14467.4247 247.8436 -203518.2681 2548.2755 0.0000 0.0000 52152.9888 -109664.5094 299.7239 -161817.4982 -109295.9368 299.6981 40.9573 76.3979 760981.2799 0.1413 -0.0341 PRESSURE: 4078400 55.6133 180.402 -270.301 180.402 77.9329 -155.173 -270.301 -155.173 147.312 GPRESSURE: 4078400 94.4491 98.6088 -225.549 130.262 98.9283 -161.573 -335.67 -102.684 186.491 PRESSAVG: 4078400 5.87994 4.95135 -21.4385 4.95132 3.39559 -38.9352 -21.4385 -38.9352 -4.85196 GPRESSAVG: 4078400 6.14022 3.48091 -21.2969 5.85743 2.32774 -39.3945 -20.9482 -38.4296 -3.83647 TIMING: 4078400 CPU: 12949.4, 0.00312612/step Wall: 12949.4, 0.00312612/step, 0.800286 hours remaining, 241.011719 MB of memory in use. ENERGY: 4078400 4044.2333 20474.9824 14500.1098 265.5620 -203450.0998 2544.5984 0.0000 0.0000 52071.2266 -109549.3873 299.2541 -161620.6139 -109191.3268 299.3618 93.6194 126.6229 761235.5110 1.4745 1.5438 PRESSURE: 4078600 112.766 -0.437323 -82.7805 -0.437343 168.521 242.167 -82.7804 242.166 51.249 GPRESSURE: 4078600 154.417 -8.79744 -164.905 -33.1962 185.538 263.625 -59.2299 146.128 63.6872 PRESSAVG: 4078600 -71.2239 23.263 10.0442 23.263 6.3721 -32.4786 10.0443 -32.4786 -10.1437 GPRESSAVG: 4078600 -71.9601 21.3962 9.96036 24.6022 7.2406 -31.0361 8.7691 -35.0803 -10.6542 TIMING: 4078600 CPU: 12950.1, 0.00312779/step Wall: 12950.1, 0.00312779/step, 0.800541 hours remaining, 241.011719 MB of memory in use. ENERGY: 4078600 4012.0882 20494.4961 14533.9282 249.7379 -203361.2266 2526.3050 0.0000 0.0000 51947.0277 -109597.6435 298.5403 -161544.6712 -109244.3687 299.4477 110.8453 134.5475 759261.7498 -24.9985 -25.1246 PRESSURE: 4078800 35.4188 18.6885 -26.611 18.6893 49.3496 54.348 -26.6109 54.3481 -157.965 GPRESSURE: 4078800 65.5139 40.7052 -24.0698 -81.0031 34.1294 83.0848 79.6922 47.5796 -114.167 PRESSAVG: 4078800 38.7941 -26.1103 -17.3555 -26.1103 -10.6835 -0.16665 -17.3555 -0.166608 -12.1882 GPRESSAVG: 4078800 40.0459 -23.9094 -17.2595 -26.806 -11.7557 -2.45413 -16.9724 0.602138 -12.3314 TIMING: 4078800 CPU: 12950.7, 0.00312423/step Wall: 12950.7, 0.00312423/step, 0.799457 hours remaining, 241.011719 MB of memory in use. ENERGY: 4078800 4022.7569 20527.1445 14528.1244 226.2432 -203247.0097 2531.1845 0.0000 0.0000 51941.1746 -109470.3816 298.5066 -161411.5562 -109107.9120 299.6637 -24.3990 -4.8414 760297.6597 5.3075 5.3196 PRESSURE: 4079000 -341.988 63.4084 64.5713 63.4089 -362.561 -115.756 64.5722 -115.757 -124.786 GPRESSURE: 4079000 -307.699 -40.0972 31.0692 172.186 -267.254 -118.492 87.1004 35.8864 -171.476 PRESSAVG: 4079000 46.9625 15.7253 -9.13566 15.7252 -1.35436 52.1863 -9.13569 52.1862 6.42824 GPRESSAVG: 4079000 46.6099 16.1322 -10.2536 15.8242 -1.49614 52.5754 -8.35102 53.6673 6.81756 TIMING: 4079000 CPU: 12951.3, 0.00314082/step Wall: 12951.3, 0.00314082/step, 0.803526 hours remaining, 241.011719 MB of memory in use. ENERGY: 4079000 4047.1307 20470.9732 14470.8518 236.3763 -203344.7299 2441.2445 0.0000 0.0000 52000.2495 -109677.9040 298.8461 -161678.1535 -109315.5667 299.7437 -276.4448 -248.8098 760735.1580 17.3454 17.3104 PRESSURE: 4079200 -227.312 148.606 -105.117 148.606 55.059 -259.614 -105.117 -259.614 -342.945 GPRESSURE: 4079200 -160.106 90.89 -83.301 87.2337 122.533 -251.855 -123.59 -191.36 -379.003 PRESSAVG: 4079200 14.8243 24.6125 -3.27602 24.6124 -28.4466 -1.1753 -3.27603 -1.17532 5.64897 GPRESSAVG: 4079200 14.3325 22.9175 -3.42347 25.1851 -27.6348 -1.3742 -3.62985 -0.768439 5.18057 TIMING: 4079200 CPU: 12952, 0.00314756/step Wall: 12952, 0.00314757/step, 0.805077 hours remaining, 241.011719 MB of memory in use. ENERGY: 4079200 3939.5830 20547.1802 14449.4671 259.7015 -203540.0246 2430.9447 0.0000 0.0000 52110.7973 -109802.3508 299.4815 -161913.1481 -109441.1852 299.0183 -171.7329 -138.8589 759919.8946 -2.6578 -2.7072 PRESSURE: 4079400 -133.464 -236.493 -137.869 -236.493 -384.279 110.085 -137.869 110.084 81.894 GPRESSURE: 4079400 -109.95 -256.326 -139.04 -184.508 -369.045 64.8161 -55.1531 75.2135 115.399 PRESSAVG: 4079400 12.2382 -38.2164 -15.304 -38.2164 -40.4085 -2.05991 -15.3041 -2.05994 -6.29332 GPRESSAVG: 4079400 11.6108 -38.0437 -13.9979 -38.3755 -39.9016 -1.48812 -16.9826 -4.4678 -6.88514 TIMING: 4079400 CPU: 12952.6, 0.00315674/step Wall: 12952.6, 0.00315674/step, 0.807248 hours remaining, 241.011719 MB of memory in use. ENERGY: 4079400 4166.0193 20461.3451 14436.7292 235.3114 -203287.6185 2384.3145 0.0000 0.0000 51769.4443 -109834.4546 297.5197 -161603.8989 -109475.0353 298.2166 -145.2830 -121.1985 759187.5181 -11.4879 -11.7253 PRESSURE: 4079600 -280.494 -106.56 123.627 -106.561 69.2375 244.253 123.627 244.253 -74.6971 GPRESSURE: 4079600 -197.514 -193.646 161.71 -261.633 56.91 279.949 175.055 247.958 -43.0919 PRESSAVG: 4079600 6.562 11.4548 19.4086 11.4548 -38.9404 -23.1996 19.4087 -23.1997 10.6688 GPRESSAVG: 4079600 7.32029 9.705 17.96 8.90204 -39.6388 -23.305 21.9331 -21.6031 11.267 TIMING: 4079600 CPU: 12953.2, 0.00313051/step Wall: 12953.2, 0.00313051/step, 0.800368 hours remaining, 241.011719 MB of memory in use. ENERGY: 4079600 3988.0506 20412.2351 14476.7135 254.6668 -203605.1799 2635.1716 0.0000 0.0000 52089.8154 -109748.5269 299.3609 -161838.3423 -109392.9215 298.6854 -95.3178 -61.2321 760453.6968 -7.2365 -7.0172 PRESSURE: 4079800 -118.272 52.0917 -104.236 52.0906 131.727 33.3189 -104.235 33.3181 102.905 GPRESSURE: 4079800 -17.1806 -60.9899 -88.4449 99.8099 82.9358 -45.9049 -41.6031 66.486 101.878 PRESSAVG: 4079800 33.3117 -25.9392 35.064 -25.9392 -25.9474 24.13 35.064 24.13 -12.7012 GPRESSAVG: 4079800 35.1903 -23.7362 34.9049 -25.4988 -27.9463 23.8424 35.7224 22.9263 -12.3688 TIMING: 4079800 CPU: 12953.8, 0.00312512/step Wall: 12953.8, 0.00312512/step, 0.798816 hours remaining, 241.011719 MB of memory in use. ENERGY: 4079800 4000.6756 20499.0142 14467.7201 246.8525 -203342.4283 2499.4722 0.0000 0.0000 51969.7402 -109658.9535 298.6708 -161628.6937 -109297.7467 299.2904 38.7868 55.8777 761339.1406 -1.7789 -1.7083 PRESSURE: 4080000 -338.356 77.6115 -205.74 77.6108 -74.7767 137.112 -205.74 137.113 -343.895 GPRESSURE: 4080000 -230.007 203.312 -257.403 5.91564 -57.759 75.585 -205.381 14.1624 -389.995 PRESSAVG: 4080000 66.9099 -17.4723 -56.3698 -17.4722 -52.2565 4.6338 -56.3698 4.63379 4.23109 GPRESSAVG: 4080000 65.4555 -17.2464 -54.8323 -13.2102 -50.3564 4.14755 -56.9958 5.75182 3.47855 TIMING: 4080000 CPU: 12954.5, 0.00313258/step Wall: 12954.5, 0.00313258/step, 0.800547 hours remaining, 241.011719 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: 4080000 4034.1346 20524.0608 14422.1511 234.4956 -203439.8493 2497.3808 0.0000 0.0000 52142.7123 -109584.9141 299.6649 -161727.6265 -109222.6105 299.0362 -252.3424 -225.9205 760389.8003 6.2948 6.1925 PRESSURE: 4080200 -80.2342 215.916 184.983 215.916 -6.85678 39.5254 184.984 39.5266 -70.6376 GPRESSURE: 4080200 -25.5293 157.834 138.096 189.37 13.392 -15.7035 105.933 50.0455 -50.6907 PRESSAVG: 4080200 32.5473 -9.55436 -5.95065 -9.55442 -36.1137 23.7326 -5.95075 23.7326 -5.91153 GPRESSAVG: 4080200 31.9977 -11.0905 -7.13994 -11.0928 -36.7189 26.5192 -6.27129 21.4582 -4.55171 TIMING: 4080200 CPU: 12955.1, 0.00315798/step Wall: 12955.1, 0.00315798/step, 0.806865 hours remaining, 241.011719 MB of memory in use. ENERGY: 4080200 3982.2851 20419.3889 14402.0672 235.0526 -203748.0347 2647.5093 0.0000 0.0000 52242.6995 -109819.0321 300.2395 -162061.7316 -109451.2392 299.3626 -52.5762 -20.9427 760449.1257 -3.1593 -3.0910 LDB: ============= START OF LOAD BALANCING ============== 12967.5 LDB: ============== END OF LOAD BALANCING =============== 12967.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12967.5 LDB: ============= START OF LOAD BALANCING ============== 12967.9 LDB: Largest compute 7056 load 0.036826 is 18.9% of average load 0.195311 LDB: Average compute 0.004448 is 2.3% of average load 0.195311 LDB: TIME 12967.9 LOAD: AVG 0.195311 MAX 0.218789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.555 MB LDB: TIME 12967.9 LOAD: AVG 0.195311 MAX 0.218789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.758 MB LDB: TIME 12967.9 LOAD: AVG 0.195311 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.758 MB LDB: ============== END OF LOAD BALANCING =============== 12967.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12967.9 PRESSURE: 4080400 -92.0133 193.502 -21.4844 193.501 10.8849 66.1155 -21.4849 66.1153 -60.7463 GPRESSURE: 4080400 -60.7659 111.711 -134.73 158.709 28.3638 107.717 -52.8173 128.089 -28.7005 PRESSAVG: 4080400 50.5467 -27.7966 -13.88 -27.7967 -37.0583 48.2042 -13.88 48.2042 13.2156 GPRESSAVG: 4080400 50.5259 -25.6087 -13.7308 -28.8227 -35.0914 46.574 -15.7311 51.4095 11.2591 TIMING: 4080400 CPU: 12955.7, 0.00319315/step Wall: 12955.7, 0.00319315/step, 0.815672 hours remaining, 240.878906 MB of memory in use. ENERGY: 4080400 3937.5252 20333.1004 14464.0270 241.0047 -203113.7450 2459.2359 0.0000 0.0000 52041.2459 -109637.6058 299.0818 -161678.8517 -109284.5654 299.2096 -47.2916 -20.3675 759526.5939 8.9013 8.8979 PRESSURE: 4080600 -136.887 183.003 -46.9875 183.002 58.6839 -36.434 -46.9883 -36.4334 -301.862 GPRESSURE: 4080600 -73.2535 52.508 -69.9475 308.557 -4.095 -97.1847 -55.3445 -39.9783 -233.848 PRESSAVG: 4080600 21.8141 4.34239 -44.6374 4.34228 -25.5777 -4.89911 -44.6374 -4.89912 1.18544 GPRESSAVG: 4080600 22.5751 3.06285 -44.8907 3.66573 -27.8859 -4.55244 -41.972 -5.9863 2.9116 TIMING: 4080600 CPU: 12956.4, 0.00310996/step Wall: 12956.4, 0.00310996/step, 0.794249 hours remaining, 240.878906 MB of memory in use. ENERGY: 4080600 3932.1979 20403.1650 14465.8670 264.9403 -203314.1303 2442.9082 0.0000 0.0000 52088.6126 -109716.4394 299.3540 -161805.0520 -109356.5702 298.9823 -126.6885 -103.7322 758462.1377 -0.8594 -0.7997 PRESSURE: 4080800 -357.379 -24.4639 -221.438 -24.4643 -204.168 -86.64 -221.439 -86.6404 293.873 GPRESSURE: 4080800 -361.144 -86.333 -191.903 91.7192 -193.751 -142.41 -222.203 -188.511 355.118 PRESSAVG: 4080800 -17.7871 -15.552 -48.5879 -15.552 10.3944 -21.0215 -48.5878 -21.0214 9.00299 GPRESSAVG: 4080800 -19.912 -14.6237 -48.5211 -15.0418 10.7498 -22.8204 -50.0789 -22.7895 10.3129 TIMING: 4080800 CPU: 12957, 0.00313206/step Wall: 12957, 0.00313206/step, 0.799718 hours remaining, 240.878906 MB of memory in use. ENERGY: 4080800 3981.6514 20561.6837 14447.9629 243.1808 -203342.1166 2387.2575 0.0000 0.0000 51934.3521 -109786.0283 298.4674 -161720.3804 -109421.5168 298.9582 -89.2246 -66.5924 760417.2269 0.5367 0.3836 PRESSURE: 4081000 231.579 -13.7965 98.098 -13.7956 -59.3668 135.884 98.0969 135.884 -80.8244 GPRESSURE: 4081000 237.641 1.20896 116.761 -75.2035 -27.5967 77.0195 61.5614 151.216 -50.2548 PRESSAVG: 4081000 13.2147 20.625 -50.786 20.625 -12.3015 5.88776 -50.786 5.88778 -1.16492 GPRESSAVG: 4081000 14.0163 19.4526 -48.9031 22.4467 -11.2855 6.69759 -49.5678 7.52234 -3.13566 TIMING: 4081000 CPU: 12957.6, 0.00314988/step Wall: 12957.6, 0.00314988/step, 0.804095 hours remaining, 240.878906 MB of memory in use. ENERGY: 4081000 4074.1744 20410.0287 14426.3448 252.0557 -203549.0757 2579.8536 0.0000 0.0000 52060.7399 -109745.8786 299.1938 -161806.6185 -109387.1759 298.8596 30.4626 53.2630 760213.7106 -0.0839 -0.1349 PRESSURE: 4081200 -506.636 177.218 123.595 177.219 -214.361 266.133 123.596 266.133 66.781 GPRESSURE: 4081200 -464.646 133.83 56.154 165.928 -197.133 306.386 50.9215 204.741 111.049 PRESSAVG: 4081200 -26.0635 45.9608 5.65257 45.9607 24.157 41.3745 5.65252 41.3745 1.1224 GPRESSAVG: 4081200 -25.7581 46.2383 2.26541 44.0409 23.8574 42.3371 6.75501 42.0164 1.5104 TIMING: 4081200 CPU: 12958.2, 0.00313103/step Wall: 12958.2, 0.00313103/step, 0.799109 hours remaining, 240.878906 MB of memory in use. ENERGY: 4081200 3905.9394 20529.1354 14419.5433 240.5994 -203245.9783 2312.7990 0.0000 0.0000 52034.9532 -109803.0087 299.0456 -161837.9619 -109446.5271 299.4458 -218.0719 -183.5768 761047.3698 -0.2614 -0.1301 PRESSURE: 4081400 -215.432 -31.9643 34.685 -31.9655 0.934991 -455.619 34.6854 -455.619 172.172 GPRESSURE: 4081400 -60.3443 -94.5295 -11.2099 -56.1645 27.9915 -484.135 74.1781 -535.357 48.4832 PRESSAVG: 4081400 14.2408 50.2512 8.8486 50.2512 -62.1344 25.6128 8.84856 25.6128 0.997144 GPRESSAVG: 4081400 14.2259 50.2076 10.6823 49.6419 -62.2591 25.0161 8.44907 22.3284 0.776851 TIMING: 4081400 CPU: 12958.9, 0.00314915/step Wall: 12958.9, 0.00314915/step, 0.803559 hours remaining, 240.878906 MB of memory in use. ENERGY: 4081400 4003.4798 20479.0867 14389.2861 253.8509 -203684.4866 2533.1082 0.0000 0.0000 51989.0526 -110036.6224 298.7818 -162025.6750 -109678.8022 298.7784 -14.1081 5.3768 760709.2094 -15.6321 -15.7521 PRESSURE: 4081600 -386.838 54.5382 -9.72385 54.5385 15.9248 93.005 -9.72384 93.0046 101.894 GPRESSURE: 4081600 -329.034 -50.7054 48.4996 -72.1599 -38.9641 136.354 77.1669 133.716 167.077 PRESSAVG: 4081600 -18.8245 -6.5046 -19.31 -6.50462 -5.72456 25.9074 -19.3101 25.9074 4.45062 GPRESSAVG: 4081600 -19.3198 -8.81454 -19.427 -5.02667 -5.66306 25.5105 -20.304 28.202 5.17989 TIMING: 4081600 CPU: 12959.5, 0.00314077/step Wall: 12959.5, 0.00314077/step, 0.801245 hours remaining, 240.878906 MB of memory in use. ENERGY: 4081600 3984.5596 20498.5856 14338.8450 262.7048 -203381.6428 2509.0085 0.0000 0.0000 51986.8584 -109801.0809 298.7692 -161787.9393 -109444.2903 298.8989 -89.6729 -66.9737 760393.0467 -6.6995 -6.6010 PRESSURE: 4081800 -201.199 -35.8321 61.5621 -35.8313 -339.707 -188.461 61.5617 -188.46 -260.771 GPRESSURE: 4081800 -271.04 63.6935 48.2365 -105.27 -209.551 -194.309 77.7002 -190.43 -245.109 PRESSAVG: 4081800 -30.4259 18.6969 -33.125 18.697 -20.5276 47.6691 -33.1251 47.669 -20.0225 GPRESSAVG: 4081800 -30.0859 18.6577 -33.0554 20.1377 -20.0306 48.027 -33.5821 50.4954 -20.4499 TIMING: 4081800 CPU: 12960.1, 0.00314157/step Wall: 12960.1, 0.00314157/step, 0.801274 hours remaining, 240.878906 MB of memory in use. ENERGY: 4081800 3986.4287 20521.6824 14411.5799 254.1128 -203510.1163 2537.0760 0.0000 0.0000 51962.2506 -109836.9858 298.6278 -161799.2364 -109469.7004 299.0125 -267.2255 -241.9002 760874.8696 -23.6587 -23.5221 PRESSURE: 4082000 98.1669 242.727 -11.5864 242.727 -100.725 28.7096 -11.5864 28.7094 -226.629 GPRESSURE: 4082000 164.291 163.309 -61.0856 18.9624 -81.3515 -49.2993 -43.1546 -35.5611 -228.252 PRESSAVG: 4082000 44.5993 -0.142362 -23.272 -0.142318 -9.59851 9.57256 -23.2721 9.57252 18.8626 GPRESSAVG: 4082000 43.5412 1.20921 -24.9329 -4.53994 -9.25919 8.97459 -22.4613 7.3441 18.9114 TIMING: 4082000 CPU: 12960.7, 0.00313416/step Wall: 12960.7, 0.00313416/step, 0.799212 hours remaining, 240.878906 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: 4082000 3973.8833 20495.1876 14313.1937 264.4573 -203453.4642 2558.9840 0.0000 0.0000 52070.7564 -109777.0019 299.2514 -161847.7583 -109416.3511 298.9314 -76.3956 -48.4376 760230.9403 17.9544 17.7311 PRESSURE: 4082200 144.886 122.009 18.9399 122.008 -120.771 194.131 18.9396 194.132 -27.8624 GPRESSURE: 4082200 141.259 207.856 131.239 59.272 -97.7421 199.687 -50.2124 79.9798 57.2238 PRESSAVG: 4082200 36.0457 -23.2082 -45.3953 -23.2082 17.1921 -20.568 -45.3953 -20.5681 -41.8084 GPRESSAVG: 4082200 37.1789 -19.7609 -42.2848 -20.4593 15.8001 -19.9813 -47.7244 -21.6736 -41.7037 TIMING: 4082200 CPU: 12961.4, 0.00313012/step Wall: 12961.4, 0.00313012/step, 0.798006 hours remaining, 240.878906 MB of memory in use. ENERGY: 4082200 4026.4790 20432.9419 14457.7697 230.1938 -203587.5763 2520.5232 0.0000 0.0000 52107.9959 -109811.6729 299.4654 -161919.6687 -109455.3395 299.0479 -1.2491 33.5803 757582.5167 3.8098 3.7584 PRESSURE: 4082400 -141.326 -44.0906 227.299 -44.0915 -538.527 -188.982 227.298 -188.982 -543.564 GPRESSURE: 4082400 -164.196 5.10527 204.718 10.6881 -516.901 -181.543 239.43 -143.786 -445.13 PRESSAVG: 4082400 24.3971 1.86461 35.6194 1.86462 -62.3964 -20.2895 35.6194 -20.2895 9.81157 GPRESSAVG: 4082400 23.5339 -1.01949 32.9914 0.917005 -61.5824 -18.5079 38.5338 -18.9679 10.0158 TIMING: 4082400 CPU: 12962, 0.00312561/step Wall: 12962, 0.00312561/step, 0.796684 hours remaining, 240.878906 MB of memory in use. ENERGY: 4082400 3984.4556 20575.6164 14476.2353 248.1344 -203605.4601 2421.6277 0.0000 0.0000 51957.7561 -109941.6345 298.6019 -161899.3906 -109581.5478 298.4992 -407.8056 -375.4089 760036.9295 -9.3959 -9.3443 PRESSURE: 4082600 -132.447 19.7854 -36.7599 19.7856 -364.863 28.5281 -36.7601 28.5282 -93.5975 GPRESSURE: 4082600 -61.2146 -26.905 45.0964 42.2745 -283.627 92.5995 54.0384 -94.1761 -145.382 PRESSAVG: 4082600 53.3698 2.12166 20.7685 2.12165 -10.9936 -50.4139 20.7684 -50.414 7.89692 GPRESSAVG: 4082600 53.2384 2.14625 24.7073 3.60475 -9.80502 -52.6794 18.257 -50.8823 7.25055 TIMING: 4082600 CPU: 12962.6, 0.00311566/step Wall: 12962.6, 0.00311566/step, 0.793973 hours remaining, 240.878906 MB of memory in use. ENERGY: 4082600 4002.7267 20564.6905 14510.7579 249.9947 -203952.0088 2593.4033 0.0000 0.0000 52230.8289 -109799.6067 300.1713 -162030.4356 -109432.8592 299.5233 -196.9693 -163.4080 759071.8027 16.7577 16.8946 PRESSURE: 4082800 50.6173 -9.69093 133.265 -9.69129 -216.364 77.3438 133.266 77.3445 173.664 GPRESSURE: 4082800 125.668 18.8959 103.28 6.69082 -229.999 38.372 -46.8115 86.4429 201.629 PRESSAVG: 4082800 18.873 16.0677 -30.8535 16.0678 -23.7345 -33.1129 -30.8535 -33.1128 -3.77026 GPRESSAVG: 4082800 20.5463 16.2014 -34.6466 17.475 -24.9118 -32.0148 -27.5199 -33.1851 -4.56977 TIMING: 4082800 CPU: 12963.2, 0.00313163/step Wall: 12963.2, 0.00313163/step, 0.79787 hours remaining, 240.878906 MB of memory in use. ENERGY: 4082800 4028.1381 20468.0318 14425.9580 248.3646 -203901.3485 2855.8903 0.0000 0.0000 51814.8745 -110060.0913 297.7808 -161874.9658 -109699.6161 299.1362 2.6392 32.4325 758066.6838 -2.8773 -2.9784 PRESSURE: 4083000 -13.345 93.5664 168.058 93.5673 -654.227 459.743 168.059 459.743 -359.849 GPRESSURE: 4083000 69.0455 19.7876 157.417 161.187 -586.817 512.826 77.2176 304.004 -396.962 PRESSAVG: 4083000 94.89 18.9976 49.7651 18.9975 -19.708 21.0005 49.7651 21.0004 -9.45601 GPRESSAVG: 4083000 94.641 19.5553 49.8881 16.7754 -20.518 19.2161 47.6666 21.9679 -8.37736 TIMING: 4083000 CPU: 12963.9, 0.00313789/step Wall: 12963.9, 0.00313789/step, 0.799291 hours remaining, 240.878906 MB of memory in use. ENERGY: 4083000 4028.8515 20416.4472 14495.5357 233.0822 -203271.4543 2141.1769 0.0000 0.0000 52100.4929 -109855.8678 299.4222 -161956.3607 -109491.3514 298.7651 -342.4736 -304.9110 757777.0514 21.9087 21.9152 PRESSURE: 4083200 -6.39413 41.0646 -28.2876 41.0653 87.6192 120.544 -28.2876 120.544 -216.006 GPRESSURE: 4083200 -4.59493 88.809 25.0078 179.787 129.444 129.334 -136.614 167.043 -150.367 PRESSAVG: 4083200 64.431 -2.23655 -4.02575 -2.23649 -83.4098 9.71305 -4.02572 9.71302 -24.9414 GPRESSAVG: 4083200 64.2701 -2.09399 -2.63641 -0.100092 -83.1361 10.0149 -5.24497 8.94354 -24.9988 TIMING: 4083200 CPU: 12964.5, 0.00311279/step Wall: 12964.5, 0.00311279/step, 0.792723 hours remaining, 240.878906 MB of memory in use. ENERGY: 4083200 3992.5938 20598.9842 14379.1864 245.1629 -203470.6336 2483.1569 0.0000 0.0000 51991.8498 -109779.6995 298.7979 -161771.5494 -109413.6003 298.9163 -44.9269 -8.5060 760171.2445 -14.6401 -14.6216 PRESSURE: 4083400 263.044 -15.8306 -27.3965 -15.8294 206.091 -132.529 -27.3969 -132.529 149.119 GPRESSURE: 4083400 424.341 -3.62343 6.14639 -2.83237 117.857 -91.3422 21.709 -9.87043 149.114 PRESSAVG: 4083400 31.9156 -19.5411 2.80384 -19.541 -19.872 -0.294192 2.80387 -0.294279 0.0791807 GPRESSAVG: 4083400 32.9401 -18.3015 -0.69837 -21.2471 -21.0582 0.0639595 4.27864 0.294932 0.197614 TIMING: 4083400 CPU: 12965.1, 0.00311099/step Wall: 12965.1, 0.00311099/step, 0.792093 hours remaining, 240.878906 MB of memory in use. ENERGY: 4083400 3989.5943 20489.2585 14460.6292 250.3682 -203724.9668 2729.9368 0.0000 0.0000 52212.0516 -109593.1282 300.0634 -161805.1798 -109231.1067 299.7061 206.0847 230.4373 760223.8157 4.0409 4.0265 PRESSURE: 4083600 -14.8317 63.2572 -39.2852 63.2569 -119.203 24.1985 -39.2842 24.1987 -88.8503 GPRESSURE: 4083600 35.2601 26.9931 -10.2235 29.3384 -68.813 1.47085 73.3274 6.86931 -89.8404 PRESSAVG: 4083600 37.1448 6.72689 -18.832 6.72694 -10.6151 34.8545 -18.8319 34.8545 10.0752 GPRESSAVG: 4083600 36.9094 5.2846 -16.1035 6.01001 -10.2215 34.488 -17.5936 35.9577 10.5714 TIMING: 4083600 CPU: 12965.7, 0.00311041/step Wall: 12965.7, 0.00311041/step, 0.791771 hours remaining, 240.878906 MB of memory in use. ENERGY: 4083600 3997.8982 20512.4757 14419.9118 236.6140 -203556.6255 2918.3610 0.0000 0.0000 52087.5630 -109383.8018 299.3479 -161471.3647 -109027.7880 300.0320 -74.2949 -41.1311 762237.0274 12.2016 12.4197 PRESSURE: 4083800 -291.834 -365.678 31.9858 -365.679 -169.48 125.133 31.9869 125.132 -317.036 GPRESSURE: 4083800 -309.095 -435.879 8.4965 -395.582 -141.342 204.923 -33.2988 159.083 -251.396 PRESSAVG: 4083800 41.4367 -23.926 -8.02867 -23.926 -30.435 36.4646 -8.0286 36.4645 -19.3573 GPRESSAVG: 4083800 41.3514 -24.1744 -6.48015 -23.478 -30.1369 37.3839 -10.0469 34.478 -19.9745 TIMING: 4083800 CPU: 12966.4, 0.00311946/step Wall: 12966.4, 0.00311946/step, 0.793902 hours remaining, 240.878906 MB of memory in use. ENERGY: 4083800 4063.6360 20678.3542 14520.1768 262.8154 -203923.9215 2758.9842 0.0000 0.0000 52238.8273 -109401.1274 300.2173 -161639.9547 -109040.5810 300.4094 -259.4500 -233.9442 760877.3279 -2.7852 -2.9200 PRESSURE: 4084000 89.0612 192.126 -210.645 192.126 -68.4434 78.7317 -210.645 78.7318 -215.722 GPRESSURE: 4084000 106.226 39.6746 -195.393 132.394 -61.3971 110.234 -287.473 -39.2862 -163.517 PRESSAVG: 4084000 72.2757 -33.9486 -44.8905 -33.9487 -48.3232 7.91326 -44.8905 7.9132 -19.4777 GPRESSAVG: 4084000 72.7858 -36.0436 -46.3187 -31.0541 -48.9707 8.04461 -46.6261 9.44121 -19.8178 TIMING: 4084000 CPU: 12967, 0.00311879/step Wall: 12967, 0.00311879/step, 0.79356 hours remaining, 240.878906 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: 4084000 4092.7606 20719.2678 14468.1526 247.6811 -203460.4179 2562.8572 0.0000 0.0000 51955.6297 -109414.0689 298.5897 -161369.6986 -109051.1788 300.1466 -65.0348 -39.5629 758089.0567 1.4916 1.3324 PRESSURE: 4084200 47.8624 -298.484 16.5989 -298.484 402.075 119.072 16.5983 119.07 208.242 GPRESSURE: 4084200 108.666 -245.584 53.737 -200.015 486.58 177.812 28.3649 -9.85231 159.219 PRESSAVG: 4084200 27.8122 20.776 -11.5762 20.776 -6.14262 -36.6975 -11.5762 -36.6975 14.7416 GPRESSAVG: 4084200 28.8843 24.1362 -12.9856 19.246 -6.71734 -36.793 -8.37938 -39.3917 14.8731 TIMING: 4084200 CPU: 12967.6, 0.00312989/step Wall: 12967.6, 0.00312989/step, 0.796209 hours remaining, 240.878906 MB of memory in use. ENERGY: 4084200 3926.5593 20706.5182 14531.4440 241.6130 -203337.6534 2538.2570 0.0000 0.0000 51920.8070 -109472.4549 298.3896 -161393.2620 -109110.1711 299.8133 219.3929 251.4882 758972.4575 12.1370 12.3467 LDB: ============= START OF LOAD BALANCING ============== 12980.1 LDB: ============== END OF LOAD BALANCING =============== 12980.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12980.1 LDB: ============= START OF LOAD BALANCING ============== 12980.4 LDB: Largest compute 7068 load 0.036522 is 18.7% of average load 0.195320 LDB: Average compute 0.004429 is 2.3% of average load 0.195320 LDB: TIME 12980.4 LOAD: AVG 0.19532 MAX 0.214558 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 12980.4 LOAD: AVG 0.19532 MAX 0.214558 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 12980.4 LOAD: AVG 0.19532 MAX 0.214558 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 12980.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12980.4 PRESSURE: 4084400 87.7647 -218.992 5.55781 -218.993 48.3059 -138.564 5.55809 -138.565 366.485 GPRESSURE: 4084400 76.5639 -104.196 27.7627 -168.126 173.742 -190.332 -4.49169 -124.068 329.586 PRESSAVG: 4084400 24.0685 -72.0435 -33.8469 -72.0435 -4.16064 -10.3914 -33.847 -10.3914 18.0917 GPRESSAVG: 4084400 22.0479 -73.8168 -31.8789 -71.6413 -2.18957 -13.4112 -36.0232 -6.78397 17.7029 TIMING: 4084400 CPU: 12968.3, 0.00321398/step Wall: 12968.3, 0.00321398/step, 0.817421 hours remaining, 240.039062 MB of memory in use. ENERGY: 4084400 3944.6338 20477.2608 14478.5882 260.8564 -203512.8124 2472.3612 0.0000 0.0000 52627.6236 -109251.4885 302.4517 -161879.1121 -108883.1254 300.3017 167.5185 193.2975 759647.6960 12.6665 12.5204 PRESSURE: 4084600 138.481 -130.702 -95.2467 -130.702 -476.692 -25.2791 -95.2474 -25.2797 -64.825 GPRESSURE: 4084600 42.2385 -88.9015 -100.772 -131.72 -381.961 36.5173 -254.772 9.89297 10.7081 PRESSAVG: 4084600 8.34489 -27.0227 51.2667 -27.0228 34.2433 -38.9441 51.2667 -38.9442 -11.1443 GPRESSAVG: 4084600 9.51618 -23.7569 49.3962 -28.691 32.8053 -36.9479 53.0721 -38.8994 -10.6964 TIMING: 4084600 CPU: 12968.9, 0.0031297/step Wall: 12968.9, 0.0031297/step, 0.795813 hours remaining, 240.039062 MB of memory in use. ENERGY: 4084600 3991.0896 20543.6210 14511.1141 256.8944 -203744.8629 2586.8183 0.0000 0.0000 52315.3980 -109539.9275 300.6573 -161855.3255 -109174.7898 300.6462 -134.3452 -109.6714 759288.6403 10.4813 10.5417 PRESSURE: 4084800 -100.481 87.7449 35.6929 87.7451 -45.8451 154.768 35.693 154.768 -66.1943 GPRESSURE: 4084800 -65.432 103.399 15.5244 55.5711 -30.8809 121.385 35.0752 136.375 1.84797 PRESSAVG: 4084800 18.831 -21.1574 -28.1593 -21.1574 27.1202 -26.0569 -28.1593 -26.0569 20.7237 GPRESSAVG: 4084800 18.9607 -22.7038 -27.6988 -20.8935 28.1938 -25.993 -28.737 -27.8585 19.538 TIMING: 4084800 CPU: 12969.5, 0.00311849/step Wall: 12969.5, 0.00311849/step, 0.79279 hours remaining, 240.039062 MB of memory in use. ENERGY: 4084800 4021.3411 20361.0200 14448.6261 265.7151 -203404.3502 2554.5728 0.0000 0.0000 52343.1752 -109409.8997 300.8169 -161753.0749 -109039.6808 299.6820 -70.8402 -31.4883 760705.1238 22.2250 22.2308 PRESSURE: 4085000 -308.515 -49.5345 234.894 -49.5344 137.052 208.135 234.894 208.135 307.969 GPRESSURE: 4085000 -153.517 -39.3122 181.323 102.993 94.8602 220.476 254.828 192.521 267.244 PRESSAVG: 4085000 -8.85425 -10.7342 9.84275 -10.7342 2.19034 -1.89437 9.84269 -1.89433 15.1641 GPRESSAVG: 4085000 -8.14565 -10.2746 9.33663 -10.3493 1.28665 -1.68239 9.66968 -1.7736 15.3592 TIMING: 4085000 CPU: 12970.1, 0.00312694/step Wall: 12970.1, 0.00312694/step, 0.794764 hours remaining, 240.039062 MB of memory in use. ENERGY: 4085000 3932.9042 20720.4738 14434.7911 261.4553 -203534.8944 2643.6802 0.0000 0.0000 52297.6713 -109243.9185 300.5554 -161541.5898 -108882.4776 300.1229 45.5019 69.5288 761244.2740 2.8334 2.8334 PRESSURE: 4085200 5.64716 -134.483 -117.699 -134.482 -374.564 -66.8118 -117.7 -66.8118 193.896 GPRESSURE: 4085200 65.5537 -70.2793 -16.9723 -121.783 -341.556 -179.365 -186.246 88.19 168.654 PRESSAVG: 4085200 -14.6933 -30.0847 -5.50617 -30.0847 -20.5753 -2.60707 -5.50622 -2.607 -5.18262 GPRESSAVG: 4085200 -13.3211 -30.0536 -3.73707 -29.096 -20.0894 -3.98761 -6.64319 -2.03644 -7.11418 TIMING: 4085200 CPU: 12970.8, 0.00313418/step Wall: 12970.8, 0.00313418/step, 0.796429 hours remaining, 240.039062 MB of memory in use. ENERGY: 4085200 4054.8194 20672.7469 14429.6158 253.0559 -203463.3643 2790.8288 0.0000 0.0000 52208.1338 -109054.1636 300.0409 -161262.2974 -108694.8254 300.1436 -58.3400 -35.7825 762088.5347 -13.4838 -13.5082 PRESSURE: 4085400 -95.201 -24.4502 -152.48 -24.45 -132.01 164.291 -152.48 164.291 -528.729 GPRESSURE: 4085400 -16.4862 -40.2968 -80.5419 -130.258 -89.722 173.421 -119.685 173.612 -560.834 PRESSAVG: 4085400 53.395 -69.2678 -27.8051 -69.2677 -28.8966 0.0370596 -27.8052 0.0371414 17.8972 GPRESSAVG: 4085400 51.397 -71.4159 -28.4506 -69.0946 -28.8711 -1.14594 -25.4392 2.6383 19.3548 TIMING: 4085400 CPU: 12971.4, 0.00311504/step Wall: 12971.4, 0.00311504/step, 0.791393 hours remaining, 240.039062 MB of memory in use. ENERGY: 4085400 4059.0242 20425.8797 14422.8339 250.4718 -203052.0426 2379.4142 0.0000 0.0000 52516.6965 -108997.7223 301.8142 -161514.4188 -108624.6432 300.6025 -251.9799 -222.3474 762645.2681 14.1319 13.9602 PRESSURE: 4085600 61.6671 -88.37 136.803 -88.3696 -113.315 32.8531 136.803 32.8525 -181.976 GPRESSURE: 4085600 129.331 -80.2735 197.218 -92.6227 -120.876 44.6494 102.746 -158.254 -159.574 PRESSAVG: 4085600 43.1826 12.5582 48.5706 12.5582 -27.2142 21.9198 48.5707 21.9199 -22.1283 GPRESSAVG: 4085600 43.6555 12.2085 48.4764 10.1466 -28.4945 24.572 46.5465 19.5462 -20.7063 TIMING: 4085600 CPU: 12972, 0.00312447/step Wall: 12972, 0.00312447/step, 0.793615 hours remaining, 240.039062 MB of memory in use. ENERGY: 4085600 3990.1985 20602.3839 14499.1552 245.5328 -203449.3917 2570.2810 0.0000 0.0000 52363.9980 -109177.8424 300.9366 -161541.8403 -108814.0897 300.0400 -77.8744 -50.3730 761924.1966 -2.0533 -1.8485 PRESSURE: 4085800 342.149 -33.3233 38.612 -33.3223 20.0078 3.97657 38.6119 3.97548 197.949 GPRESSURE: 4085800 394.461 -49.1223 -22.395 30.1299 33.7982 119.302 49.1962 -53.2001 201.238 PRESSAVG: 4085800 65.8437 -15.4238 17.3093 -15.4238 -50.1473 -60.5504 17.3093 -60.5504 17.5637 GPRESSAVG: 4085800 66.2711 -14.6542 16.0233 -12.8482 -50.7103 -60.7011 21.1407 -60.9072 16.9596 TIMING: 4085800 CPU: 12972.6, 0.00313479/step Wall: 12972.6, 0.00313479/step, 0.796062 hours remaining, 240.039062 MB of memory in use. ENERGY: 4085800 3992.1483 20688.9439 14454.6725 251.8923 -203704.9518 2867.6973 0.0000 0.0000 52231.9211 -109217.6765 300.1776 -161449.5976 -108857.0300 299.7337 186.7021 209.8323 761212.7289 11.0867 10.8401 PRESSURE: 4086000 -90.565 92.6368 -65.6268 92.6362 -84.1632 -78.0418 -65.6266 -78.0423 251.214 GPRESSURE: 4086000 -9.82787 -10.9227 7.82053 96.8928 -36.8769 -74.5685 69.8878 185.335 227.003 PRESSAVG: 4086000 -4.94384 -34.4911 -11.8881 -34.491 -35.6291 -72.6775 -11.8881 -72.6775 -2.73728 GPRESSAVG: 4086000 -6.40873 -34.8785 -9.50152 -36.5682 -34.7367 -71.8951 -13.6491 -71.6028 -1.96146 TIMING: 4086000 CPU: 12973.3, 0.00310593/step Wall: 12973.3, 0.00310593/step, 0.788561 hours remaining, 240.039062 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: 4086000 4018.2027 20421.6627 14493.8534 243.1404 -203271.8605 2575.3641 0.0000 0.0000 52089.4803 -109430.1568 299.3590 -161519.6371 -109057.5300 299.5735 25.4954 60.0993 761227.6668 -14.4367 -14.3690 PRESSURE: 4086200 101.35 -112.063 104.083 -112.062 41.5819 28.2995 104.082 28.2992 73.9259 GPRESSURE: 4086200 161.379 -98.7346 113.678 -126.294 74.5156 -47.3373 -17.1776 -124.643 55.3335 PRESSAVG: 4086200 25.8986 -82.1088 15.8586 -82.1089 -21.4602 11.9679 15.8586 11.9678 -7.08503 GPRESSAVG: 4086200 27.3883 -81.3813 14.151 -80.7093 -21.4835 11.1984 13.7689 8.45532 -8.20725 TIMING: 4086200 CPU: 12973.9, 0.00313299/step Wall: 12973.9, 0.00313299/step, 0.795257 hours remaining, 240.039062 MB of memory in use. ENERGY: 4086200 4044.6481 20465.0145 14390.5923 227.4149 -203383.3715 2748.8010 0.0000 0.0000 52038.3191 -109468.5817 299.0649 -161506.9008 -109099.7112 299.5724 72.2861 97.0761 761000.7922 -0.8822 -0.7675 PRESSURE: 4086400 172.664 66.0231 -48.9163 66.0234 -285.536 -193.931 -48.9157 -193.931 -133.872 GPRESSURE: 4086400 55.4629 -1.63903 58.418 59.9935 -179.019 -142.038 -146.527 -219.396 -39.3969 PRESSAVG: 4086400 70.8811 -32.2995 7.15326 -32.2997 -90.8726 -52.5754 7.15331 -52.5755 13.2442 GPRESSAVG: 4086400 70.1453 -31.7594 7.89659 -35.1053 -90.7515 -52.3707 5.70414 -50.7872 13.5044 TIMING: 4086400 CPU: 12974.5, 0.00313674/step Wall: 12974.5, 0.00313674/step, 0.796035 hours remaining, 240.039062 MB of memory in use. ENERGY: 4086400 3986.8579 20441.9596 14411.8674 234.1879 -203317.4348 2640.0358 0.0000 0.0000 52250.8401 -109351.6860 300.2863 -161602.5261 -108974.1726 299.4339 -82.2482 -54.3178 761506.1781 -2.2491 -2.3673 PRESSURE: 4086600 1.74864 -217.149 -35.2107 -217.149 48.9126 21.8075 -35.2116 21.8074 -67.5925 GPRESSURE: 4086600 -29.2585 -144.217 -29.1013 -119.954 159.674 -11.1419 75.5291 177.281 -64.4709 PRESSAVG: 4086600 80.2375 -51.6945 14.878 -51.6945 -49.2126 -15.6191 14.878 -15.6191 13.3302 GPRESSAVG: 4086600 79.9276 -52.7312 14.9915 -49.5791 -48.6064 -16.6695 14.6994 -14.6478 12.9669 TIMING: 4086600 CPU: 12975.1, 0.00313862/step Wall: 12975.1, 0.00313862/step, 0.796338 hours remaining, 240.039062 MB of memory in use. ENERGY: 4086600 4040.3194 20421.7896 14401.1286 260.4369 -203184.9379 2436.7762 0.0000 0.0000 52210.4308 -109414.0563 300.0541 -161624.4871 -109051.4524 300.2936 -5.6437 21.9817 759238.0253 14.7851 14.7627 PRESSURE: 4086800 -204.154 -80.4948 -67.5369 -80.4954 114.832 -171.237 -67.5373 -171.237 -235.88 GPRESSURE: 4086800 -226.308 -95.8666 -116.404 -95.3221 139.756 -169.781 -15.1494 -192.342 -143.515 PRESSAVG: 4086800 -17.0514 42.8998 46.7232 42.8998 27.9769 -44.5683 46.7232 -44.5683 -13.7963 GPRESSAVG: 4086800 -17.3865 42.9727 46.2188 43.3945 28.401 -42.7064 48.3794 -45.3406 -14.3116 TIMING: 4086800 CPU: 12975.8, 0.00313804/step Wall: 12975.8, 0.00313804/step, 0.796017 hours remaining, 240.039062 MB of memory in use. ENERGY: 4086800 3972.1474 20500.1750 14447.4250 257.6903 -203301.9048 2533.5856 0.0000 0.0000 52181.3448 -109409.5367 299.8869 -161590.8814 -109043.1727 299.9519 -108.4005 -76.6888 761230.1571 -0.9569 -1.0990 PRESSURE: 4087000 148.213 -138.581 176.058 -138.58 127.216 -69.937 176.059 -69.9387 421.607 GPRESSURE: 4087000 219.263 -42.5872 236.504 -127.222 82.9589 -20.3803 105.923 -90.9726 470.401 PRESSAVG: 4087000 4.68737 31.3352 29.3792 31.3352 -1.6075 -28.0461 29.3792 -28.046 -6.56482 GPRESSAVG: 4087000 4.10861 30.8373 29.1249 28.6139 -3.09709 -30.6691 29.013 -27.9798 -5.02397 TIMING: 4087000 CPU: 12976.4, 0.0031307/step Wall: 12976.4, 0.0031307/step, 0.793981 hours remaining, 240.039062 MB of memory in use. ENERGY: 4087000 3937.3233 20343.0878 14420.5085 242.9575 -203095.6900 2602.8259 0.0000 0.0000 52259.3074 -109289.6796 300.3350 -161548.9869 -108914.4713 299.8882 232.3450 257.5409 760803.8984 -1.1617 -1.3375 PRESSURE: 4087200 -20.8436 355.19 -216.067 355.19 253.813 95.2018 -216.067 95.2015 303.297 GPRESSURE: 4087200 81.8022 211.965 -291.865 382.388 206.757 109.954 -96.9174 126.405 338.172 PRESSAVG: 4087200 -27.1041 -13.1467 -1.94503 -13.1467 -19.6247 -69.9559 -1.94509 -69.956 -7.3488 GPRESSAVG: 4087200 -25.4807 -13.7157 -1.82021 -11.3706 -19.8676 -68.6188 -1.472 -68.65 -8.80976 TIMING: 4087200 CPU: 12977, 0.00312143/step Wall: 12977, 0.00312143/step, 0.791455 hours remaining, 240.039062 MB of memory in use. ENERGY: 4087200 3958.5414 20539.5098 14460.3910 263.8067 -203222.2824 2560.0148 0.0000 0.0000 52142.3642 -109297.6546 299.6629 -161440.0187 -108931.2891 299.7131 178.7554 208.9103 760763.2465 -18.0259 -18.0527 PRESSURE: 4087400 -0.613634 65.4951 261.23 65.4954 88.0274 152.225 261.23 152.224 327.715 GPRESSURE: 4087400 89.0373 196.548 192.488 110.537 87.5724 121.106 262.534 148.987 331.197 PRESSAVG: 4087400 11.1443 40.8517 6.83156 40.8517 -25.5135 -13.9987 6.83153 -13.9987 8.55182 GPRESSAVG: 4087400 10.167 43.0673 6.70999 40.536 -26.0951 -15.2139 8.37542 -16.6734 10.3909 TIMING: 4087400 CPU: 12977.6, 0.00312961/step Wall: 12977.6, 0.00312961/step, 0.793356 hours remaining, 240.039062 MB of memory in use. ENERGY: 4087400 3962.7903 20508.6656 14450.1587 254.2067 -203038.3402 2347.9692 0.0000 0.0000 52111.0139 -109403.5357 299.4827 -161514.5496 -109033.7507 299.6139 138.3764 169.2688 761897.3471 -1.9391 -1.8457 PRESSURE: 4087600 -227.112 -211.253 -166.541 -211.253 -4.15623 -106.749 -166.541 -106.75 76.4269 GPRESSURE: 4087600 -170.308 -176.765 -245.723 -40.7548 14.153 -108.406 -120.755 76.1502 79.3114 PRESSAVG: 4087600 -15.4186 -9.31979 -7.50566 -9.31977 22.6706 -8.09003 -7.50566 -8.09009 3.38357 GPRESSAVG: 4087600 -14.6635 -11.1064 -8.03492 -8.19657 23.0006 -7.59238 -8.05746 -6.72482 2.39114 TIMING: 4087600 CPU: 12978.3, 0.003144/step Wall: 12978.3, 0.003144/step, 0.79683 hours remaining, 240.039062 MB of memory in use. ENERGY: 4087600 3910.0571 20572.6300 14430.6996 246.0041 -203399.1325 2580.8332 0.0000 0.0000 52355.8966 -109303.0119 300.8901 -161658.9084 -108932.3271 299.5038 -51.6137 -25.6144 761707.1779 3.5452 3.5761 PRESSURE: 4087800 -101.31 -172.949 -60.1544 -172.948 -83.2787 37.7041 -60.1541 37.7035 55.6554 GPRESSURE: 4087800 -27.8405 -135.029 -64.3826 -65.1912 -58.5634 76.7557 -171.723 73.6171 49.8732 PRESSAVG: 4087800 26.7143 -23.6578 -21.6457 -23.6578 -24.8572 -1.02342 -21.6457 -1.0234 0.323274 GPRESSAVG: 4087800 25.8587 -23.1282 -22.6323 -23.7569 -24.3176 1.07411 -21.9877 -1.46915 0.606459 TIMING: 4087800 CPU: 12978.9, 0.00312689/step Wall: 12978.9, 0.00312689/step, 0.792319 hours remaining, 240.039062 MB of memory in use. ENERGY: 4087800 4030.6466 20521.3970 14513.5489 240.2607 -202905.4002 2504.8685 0.0000 0.0000 52013.7063 -109080.9720 298.9235 -161094.6784 -108724.7515 299.6788 -42.9777 -12.1769 762090.4637 0.7268 0.7159 PRESSURE: 4088000 -72.4484 141.606 -226.15 141.606 167.037 89.1637 -226.15 89.1618 326.818 GPRESSURE: 4088000 -1.07004 41.3544 -283.119 77.7063 128.33 25.3758 -127.461 24.0284 377.133 PRESSAVG: 4088000 69.721 -37.1577 14.3023 -37.1577 -51.488 -2.42228 14.3023 -2.42227 11.6496 GPRESSAVG: 4088000 69.9664 -36.4456 14.8439 -35.6336 -51.43 -4.39734 12.4934 -3.24787 11.0169 TIMING: 4088000 CPU: 12979.5, 0.00310777/step Wall: 12979.5, 0.00310777/step, 0.787302 hours remaining, 240.039062 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: 4088000 4073.2323 20463.1462 14510.4335 265.6574 -202689.9944 2210.4419 0.0000 0.0000 52170.3325 -108996.7506 299.8236 -161167.0831 -108635.6430 300.7287 140.4687 168.1310 760232.3220 9.9609 9.8511 PRESSURE: 4088200 102.19 199.612 -230.947 199.611 90.1521 -36.7177 -230.947 -36.7183 561.241 GPRESSURE: 4088200 145.38 131.618 -294.839 278.774 107.149 -84.599 -159.259 15.7701 599.563 PRESSAVG: 4088200 51.3028 -41.0691 -59.0328 -41.0691 -36.506 -13.7096 -59.0328 -13.7095 3.42599 GPRESSAVG: 4088200 51.909 -40.7755 -58.9497 -42.6514 -36.7456 -13.0167 -56.3559 -10.9908 3.51431 TIMING: 4088200 CPU: 12980.1, 0.00312964/step Wall: 12980.1, 0.00312964/step, 0.792667 hours remaining, 240.039062 MB of memory in use. ENERGY: 4088200 3916.8378 20489.8369 14502.7454 254.0975 -203460.2148 2576.6336 0.0000 0.0000 52638.7779 -109081.2856 302.5158 -161720.0635 -108703.9531 301.0482 251.1944 284.0305 761003.5808 6.0743 6.2259 LDB: ============= START OF LOAD BALANCING ============== 12992.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12992.6 LDB: =============== DONE WITH MIGRATION ================ 12992.6 LDB: ============= START OF LOAD BALANCING ============== 12992.9 LDB: Largest compute 7055 load 0.034347 is 17.6% of average load 0.195322 LDB: Average compute 0.004419 is 2.3% of average load 0.195322 LDB: TIME 12992.9 LOAD: AVG 0.195322 MAX 0.215056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 12992.9 LOAD: AVG 0.195322 MAX 0.215056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 12992.9 LOAD: AVG 0.195322 MAX 0.215056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 12992.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12992.9 PRESSURE: 4088400 413.963 -26.1659 140.409 -26.1661 144.394 162.294 140.408 162.294 547.226 GPRESSURE: 4088400 361.762 45.0188 204.249 -14.564 253.777 130.272 95.2681 -0.223535 571.764 PRESSAVG: 4088400 -13.6665 -9.60591 -0.711542 -9.60597 -6.19697 -48.1606 -0.711531 -48.1606 7.107 GPRESSAVG: 4088400 -13.0752 -10.5029 1.21939 -10.842 -5.72041 -46.5031 -2.51889 -50.7259 5.90939 TIMING: 4088400 CPU: 12980.8, 0.00318604/step Wall: 12980.8, 0.00318604/step, 0.806776 hours remaining, 242.351562 MB of memory in use. ENERGY: 4088400 4008.4863 20486.9345 14453.1522 247.3601 -203153.6457 2613.4757 0.0000 0.0000 52172.6175 -109171.6194 299.8368 -161344.2370 -108805.1844 300.2910 368.5276 395.7674 760370.9733 -4.2522 -4.2954 PRESSURE: 4088600 449.806 71.5918 -127.963 71.5919 93.6321 57.9877 -127.963 57.9885 199.511 GPRESSURE: 4088600 431.645 53.1154 -169.995 121.502 165.382 -29.2461 -133.609 90.4306 236.982 PRESSAVG: 4088600 20.892 -20.4809 32.5363 -20.4809 -20.3013 -50.2819 32.5364 -50.2819 -8.24918 GPRESSAVG: 4088600 20.0306 -21.7843 30.1535 -18.7993 -19.3354 -53.0368 34.5761 -47.7896 -7.65099 TIMING: 4088600 CPU: 12981.4, 0.00312309/step Wall: 12981.4, 0.00312309/step, 0.790662 hours remaining, 242.351562 MB of memory in use. ENERGY: 4088600 4023.7918 20628.6151 14433.3254 239.3812 -203327.2529 2612.8354 0.0000 0.0000 52304.9339 -109084.3700 300.5972 -161389.3040 -108722.5421 300.0742 247.6498 278.0029 760432.4431 -2.5528 -2.3186 PRESSURE: 4088800 -5.01902 61.0846 117.204 61.085 405.705 231.366 117.204 231.366 188.558 GPRESSURE: 4088800 80.3113 139.587 102.335 4.60216 356.877 142.737 184.125 201.548 223.578 PRESSAVG: 4088800 24.6426 33.6823 53.3834 33.6823 52.1701 57.6042 53.3833 57.6041 -0.570296 GPRESSAVG: 4088800 24.541 34.3671 53.6272 32.8079 51.9992 59.8832 52.3624 54.0402 0.0419921 TIMING: 4088800 CPU: 12982, 0.00310286/step Wall: 12982, 0.00310286/step, 0.785369 hours remaining, 242.351562 MB of memory in use. ENERGY: 4088800 4092.5888 20675.2236 14415.7326 232.3217 -203341.0559 2551.7644 0.0000 0.0000 52328.0139 -109045.4109 300.7298 -161373.4247 -108681.2644 300.6414 196.4144 220.2555 761890.2659 25.4141 25.5274 PRESSURE: 4089000 44.445 -68.4726 50.7597 -68.4726 46.1114 -250.533 50.7598 -250.534 0.420181 GPRESSURE: 4089000 154.899 12.2076 -8.46972 30.6 -5.58666 -272.74 138.879 -193.257 16.6811 PRESSAVG: 4089000 21.7607 10.1883 30.5077 10.1884 -29.9919 -39.4881 30.5078 -39.4881 -17.6664 GPRESSAVG: 4089000 22.49 11.9524 29.6734 10.8652 -29.5596 -39.9366 30.5249 -37.0481 -18.1381 TIMING: 4089000 CPU: 12982.7, 0.00312172/step Wall: 12982.7, 0.00312172/step, 0.789969 hours remaining, 242.351562 MB of memory in use. ENERGY: 4089000 4013.5897 20537.5563 14445.7717 248.9665 -203021.0226 2361.4165 0.0000 0.0000 52302.9000 -109110.8219 300.5855 -161413.7219 -108743.9909 300.5755 30.3255 55.3312 761524.4256 -8.6325 -8.4026 PRESSURE: 4089200 -9.73253 -173.085 -8.69122 -173.085 96.3658 -12.0667 -8.69042 -12.0665 32.216 GPRESSURE: 4089200 55.5548 -46.8259 12.55 -135.121 129.667 131.214 51.9855 -12.6211 20.1364 PRESSAVG: 4089200 35.0328 -13.5752 5.97891 -13.5752 -24.4204 -71.8744 5.97897 -71.8743 0.263224 GPRESSAVG: 4089200 36.1018 -13.4938 7.14335 -14.178 -25.7437 -71.615 6.49226 -74.5988 0.66687 TIMING: 4089200 CPU: 12983.3, 0.00313917/step Wall: 12983.3, 0.00313917/step, 0.79421 hours remaining, 242.351562 MB of memory in use. ENERGY: 4089200 4039.8029 20450.3652 14419.7736 247.0493 -202948.4811 2441.7125 0.0000 0.0000 52224.7622 -109125.0155 300.1364 -161349.7777 -108749.8791 300.3788 39.6164 68.4527 762685.6612 3.6252 3.6750 PRESSURE: 4089400 -129.583 -147.493 95.0474 -147.493 -166.711 -262.551 95.0473 -262.552 -148.483 GPRESSURE: 4089400 -92.0549 -88.4906 125.695 -62.2964 -134.125 -180.437 17.5259 -358.127 -128.566 PRESSAVG: 4089400 18.7578 -12.6208 10.8831 -12.6208 1.04162 -23.5132 10.8831 -23.5132 -3.16812 GPRESSAVG: 4089400 17.822 -14.3303 10.2212 -11.358 2.79018 -24.0159 10.6716 -21.3458 -3.85097 TIMING: 4089400 CPU: 12983.9, 0.00311828/step Wall: 12983.9, 0.00311828/step, 0.788752 hours remaining, 242.351562 MB of memory in use. ENERGY: 4089400 4002.4644 20567.6114 14391.4120 260.4752 -203076.9244 2491.3722 0.0000 0.0000 52166.9020 -109196.6873 299.8039 -161363.5893 -108845.6463 300.1788 -148.2590 -118.2488 761929.4126 5.5438 5.5871 PRESSURE: 4089600 87.3169 15.1274 158.078 15.1283 274.625 -119.813 158.079 -119.815 183.412 GPRESSURE: 4089600 167.936 97.2345 129.204 -62.2748 227.287 -74.6203 32.2369 -167.189 229.873 PRESSAVG: 4089600 -23.0124 -22.4252 13.4816 -22.4252 -21.1518 -24.6081 13.4816 -24.6081 1.11671 GPRESSAVG: 4089600 -23.1603 -19.5055 15.0157 -24.7665 -22.8717 -24.0688 12.8287 -25.9915 3.08552 TIMING: 4089600 CPU: 12984.5, 0.00312629/step Wall: 12984.5, 0.00312629/step, 0.790605 hours remaining, 242.351562 MB of memory in use. ENERGY: 4089600 3940.7664 20626.3657 14460.3127 244.1291 -203176.4219 2571.2533 0.0000 0.0000 52063.3478 -109270.2469 299.2088 -161333.5947 -108915.6727 299.8595 181.7845 208.3655 759995.0693 -14.3492 -14.3155 PRESSURE: 4089800 -168.744 140.411 -64.4111 140.411 -239.322 96.0718 -64.4115 96.0716 77.0862 GPRESSURE: 4089800 -179.37 115.482 -98.0739 210.691 -132.795 56.6227 123.696 142.507 71.0272 PRESSAVG: 4089800 29.0156 -28.4802 13.4798 -28.4802 -21.4118 -39.539 13.4798 -39.539 14.0912 GPRESSAVG: 4089800 29.3332 -30.7179 13.5354 -28.1436 -20.7065 -38.3564 16.8859 -38.9869 13.3117 TIMING: 4089800 CPU: 12985.2, 0.00313743/step Wall: 12985.2, 0.00313743/step, 0.793248 hours remaining, 242.351562 MB of memory in use. ENERGY: 4089800 4050.8900 20574.0257 14426.5440 253.9943 -202896.6798 2181.7221 0.0000 0.0000 52192.8450 -109216.6587 299.9530 -161409.5037 -108849.8278 299.6613 -110.3265 -80.3790 760348.5830 7.2317 7.3128 PRESSURE: 4090000 -269.487 7.01611 115.108 7.01635 -3.97877 94.3122 115.108 94.3116 110.525 GPRESSURE: 4090000 -148.374 -91.9685 92.8468 -9.16255 -45.0361 162.994 20.5224 100.179 124.376 PRESSAVG: 4090000 29.571 -5.94001 46.4293 -5.94 29.064 -17.3635 46.4293 -17.3636 -5.99009 GPRESSAVG: 4090000 28.9905 -6.11038 43.8751 -5.18159 29.4233 -18.6736 42.0723 -18.0968 -5.03995 TIMING: 4090000 CPU: 12985.8, 0.00312906/step Wall: 12985.8, 0.00312906/step, 0.790957 hours remaining, 242.351562 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: 4090000 4012.6061 20562.3722 14401.1037 245.2292 -203142.5510 2343.0380 0.0000 0.0000 52327.7053 -109250.4965 300.7280 -161578.2019 -108891.1105 300.0461 -54.3136 -23.0114 761365.2206 17.5483 17.7913 PRESSURE: 4090200 -67.3921 -93.6925 -7.80567 -93.6933 55.0507 -105.684 -7.8054 -105.684 213.437 GPRESSURE: 4090200 -61.0614 -102.976 -88.2193 -22.8029 183.509 -137.15 112.127 -84.364 164.662 PRESSAVG: 4090200 61.5014 -12.2205 34.8708 -12.2204 -45.8648 -28.4433 34.8707 -28.4434 -0.155101 GPRESSAVG: 4090200 61.4456 -10.0343 34.7457 -12.0648 -45.3285 -30.114 37.1675 -26.919 -1.31375 TIMING: 4090200 CPU: 12986.4, 0.00311946/step Wall: 12986.4, 0.00311946/step, 0.788356 hours remaining, 242.351562 MB of memory in use. ENERGY: 4090200 4016.4638 20592.8300 14416.7938 244.7858 -203065.9275 2463.4783 0.0000 0.0000 52037.6610 -109293.9148 299.0612 -161331.5758 -108921.0627 300.0870 67.0320 95.7031 762481.8165 5.1605 4.9344 PRESSURE: 4090400 -85.3212 129.476 117.338 129.476 33.6416 -158.346 117.339 -158.347 -66.8432 GPRESSURE: 4090400 -101.254 150.126 46.7258 4.01639 66.1001 -198.007 88.057 -185.926 16.6229 PRESSAVG: 4090400 13.1378 -0.343337 26.2913 -0.343305 5.32825 -62.6025 26.2913 -62.6026 20.9181 GPRESSAVG: 4090400 14.6941 -1.93064 29.3006 -0.806531 3.64193 -60.7354 24.1622 -64.2373 20.7925 TIMING: 4090400 CPU: 12987, 0.00312124/step Wall: 12987, 0.00312124/step, 0.788633 hours remaining, 242.351562 MB of memory in use. ENERGY: 4090400 4020.4145 20344.3891 14549.3551 282.8802 -203001.5632 2320.1956 0.0000 0.0000 52242.2566 -109242.0721 300.2370 -161484.3287 -108881.5235 299.6019 -39.5076 -6.1769 760777.2790 13.1280 13.0429 PRESSURE: 4090600 -97.4787 99.8048 25.9489 99.8051 243.817 -22.7118 25.9489 -22.7109 -112.649 GPRESSURE: 4090600 -39.8448 88.1771 98.5553 -15.9715 253.837 -21.6715 -44.7088 51.6267 -100.869 PRESSAVG: 4090600 36.0435 19.6584 -2.19079 19.6584 3.04141 -11.4412 -2.19079 -11.4411 -25.9592 GPRESSAVG: 4090600 34.4644 19.6921 -3.13942 17.8878 3.14768 -12.3364 -0.597996 -8.95952 -24.4398 TIMING: 4090600 CPU: 12987.7, 0.00313481/step Wall: 12987.7, 0.00313481/step, 0.791887 hours remaining, 242.351562 MB of memory in use. ENERGY: 4090600 4022.2882 20500.7951 14503.8296 238.0503 -202922.2595 2364.4088 0.0000 0.0000 52143.9379 -109148.9497 299.6719 -161292.8875 -108773.9146 299.7703 11.2297 37.7075 761108.2983 4.3753 4.3908 PRESSURE: 4090800 -18.1432 -54.9391 -204.242 -54.9395 -119.28 194.146 -204.242 194.145 -93.0246 GPRESSURE: 4090800 57.1675 -69.756 -71.7295 5.40487 -34.962 169.043 -201.868 102.37 -190.075 PRESSAVG: 4090800 10.5555 33.1159 -6.00729 33.1159 -10.1281 -18.2574 -6.00726 -18.2574 11.5204 GPRESSAVG: 4090800 11.5426 33.4051 -6.86237 34.452 -9.26204 -18.7195 -4.06273 -19.7292 9.86443 TIMING: 4090800 CPU: 12988.3, 0.00310867/step Wall: 12988.3, 0.00310867/step, 0.785112 hours remaining, 242.351562 MB of memory in use. ENERGY: 4090800 3937.4839 20531.6345 14435.1579 267.6118 -203121.8172 2501.3329 0.0000 0.0000 52111.3281 -109337.2680 299.4845 -161448.5961 -108968.8269 300.1302 -76.8158 -55.9563 759211.0083 3.9826 4.0483 PRESSURE: 4091000 334.301 80.3309 165.676 80.3305 67.6962 55.5054 165.675 55.5053 -132.511 GPRESSURE: 4091000 365.367 0.0365079 146.492 58.4648 98.2851 -26.4415 22.0176 -131.341 -93.0937 PRESSAVG: 4091000 -5.82381 1.72167 25.3466 1.72167 -12.8541 -16.8998 25.3466 -16.8998 10.1507 GPRESSAVG: 4091000 -6.82825 0.679779 25.1097 3.1789 -11.9266 -15.9569 23.5257 -17.6207 10.5047 TIMING: 4091000 CPU: 12988.9, 0.00312164/step Wall: 12988.9, 0.00312164/step, 0.788213 hours remaining, 242.351562 MB of memory in use. ENERGY: 4091000 4048.4964 20635.7230 14479.2803 254.8510 -202997.1119 2446.1539 0.0000 0.0000 52160.8487 -108971.7584 299.7691 -161132.6072 -108612.7734 299.9605 89.8286 123.5194 759883.8402 -2.8424 -2.7500 PRESSURE: 4091200 120.178 31.4308 -167.813 31.4299 -7.11188 -48.7997 -167.813 -48.7998 376.917 GPRESSURE: 4091200 163.892 130.201 -190.484 109.873 -16.7834 9.18817 -76.7319 -54.2231 423.278 PRESSAVG: 4091200 -6.26394 8.55522 -4.22688 8.5552 -41.248 11.1917 -4.22679 11.1917 18.0297 GPRESSAVG: 4091200 -5.97946 11.1351 -5.36626 7.34473 -41.547 10.6177 -6.12906 11.2276 17.9579 TIMING: 4091200 CPU: 12989.5, 0.00312149/step Wall: 12989.5, 0.00312149/step, 0.788003 hours remaining, 242.351562 MB of memory in use. ENERGY: 4091200 3964.9011 20460.4626 14531.1793 234.1827 -203010.2487 2285.0287 0.0000 0.0000 52478.9974 -109055.4968 301.5975 -161534.4942 -108690.7319 300.5737 163.3278 190.1289 759022.5735 -9.8274 -9.8562 PRESSURE: 4091400 15.7008 -21.4633 181.539 -21.4636 -138.37 -112.847 181.538 -112.847 -132.856 GPRESSURE: 4091400 57.459 49.7117 157.344 -90.7969 -133.251 -54.73 267.074 -94.1912 -79.8793 PRESSAVG: 4091400 5.08883 12.69 21.628 12.69 -30.6431 -51.4384 21.628 -51.4385 -8.2772 GPRESSAVG: 4091400 5.54599 10.8136 23.8069 12.4404 -30.7184 -51.437 23.4374 -52.8057 -8.48324 TIMING: 4091400 CPU: 12990.2, 0.00311855/step Wall: 12990.2, 0.00311855/step, 0.787087 hours remaining, 242.351562 MB of memory in use. ENERGY: 4091400 3948.9781 20478.7238 14464.6577 236.9294 -203187.9505 2531.2854 0.0000 0.0000 52306.4516 -109220.9245 300.6059 -161527.3762 -108861.1607 299.7750 -85.1752 -51.8904 760887.4310 -11.2772 -11.2186 PRESSURE: 4091600 -90.864 29.9715 -149.116 29.9713 38.0183 -107.062 -149.116 -107.063 228.362 GPRESSURE: 4091600 -119.593 66.3403 -102.565 21.8006 67.0842 -84.3423 -134.261 -116.371 298 PRESSAVG: 4091600 -4.4487 10.4871 -18.3289 10.4871 13.3927 -12.9273 -18.329 -12.9273 -7.55729 GPRESSAVG: 4091600 -4.19043 11.5878 -19.2412 11.7212 13.2465 -12.9005 -18.1383 -10.4254 -7.579 TIMING: 4091600 CPU: 12990.8, 0.00311778/step Wall: 12990.8, 0.00311778/step, 0.78672 hours remaining, 242.351562 MB of memory in use. ENERGY: 4091600 4016.3991 20370.6336 14525.0133 245.5745 -203058.8250 2538.4791 0.0000 0.0000 52132.0023 -109230.7231 299.6033 -161362.7254 -108873.2359 299.8419 58.5053 81.8303 759004.2732 0.4622 0.4924 PRESSURE: 4091800 249.963 -157.372 -150.951 -157.373 102.778 -128.164 -150.953 -128.165 364.176 GPRESSURE: 4091800 212.17 -242.684 -173.877 -182.809 158.979 -144.514 -111.677 -38.3334 405.936 PRESSAVG: 4091800 -50.6428 -7.02893 -2.07582 -7.02889 27.6806 -9.14322 -2.0759 -9.14323 9.41908 GPRESSAVG: 4091800 -53.066 -10.2526 -2.7342 -7.55393 28.2542 -9.28168 -2.77668 -11.6436 10.6899 TIMING: 4091800 CPU: 12991.4, 0.00311671/step Wall: 12991.4, 0.00311671/step, 0.786276 hours remaining, 242.351562 MB of memory in use. ENERGY: 4091800 3998.4719 20541.1851 14559.4912 253.3324 -203037.4540 2477.8002 0.0000 0.0000 52059.1823 -109147.9910 299.1848 -161207.1733 -108789.8529 299.8684 238.9725 259.0287 761576.9661 -4.5144 -4.7073 PRESSURE: 4092000 23.135 54.6546 -23.2838 54.6555 -229.321 -16.3079 -23.2838 -16.3089 344.427 GPRESSURE: 4092000 63.8247 38.7506 53.4951 166.37 -111.82 -47.7841 -29.186 33.6708 278.514 PRESSAVG: 4092000 -29.2993 8.07049 -86.0621 8.07049 27.5029 39.4823 -86.062 39.4823 -9.52217 GPRESSAVG: 4092000 -27.4229 9.46621 -85.0238 9.14962 25.1846 40.0478 -83.2165 39.6923 -9.24612 TIMING: 4092000 CPU: 12992, 0.0031177/step Wall: 12992, 0.0031177/step, 0.786353 hours remaining, 242.351562 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: 4092000 3963.5392 20356.3985 14517.5496 249.7271 -203013.8546 2407.9475 0.0000 0.0000 52399.9508 -109118.7420 301.1432 -161518.6928 -108756.7283 299.9744 46.0802 76.8396 761363.2322 -3.7729 -3.8282 PRESSURE: 4092200 -402.021 124.485 97.7774 124.485 -475.706 69.279 97.7771 69.2792 -515.802 GPRESSURE: 4092200 -377.507 12.6503 178.653 58.271 -400.689 129.673 41.741 48.2643 -528.624 PRESSAVG: 4092200 -13.1532 -2.8693 -15.8426 -2.86932 28.2984 24.1202 -15.8426 24.1203 -6.88978 GPRESSAVG: 4092200 -12.4969 -2.55886 -15.2701 -4.20437 29.379 23.5209 -18.6955 26.3853 -8.88708 TIMING: 4092200 CPU: 12992.6, 0.00309576/step Wall: 12992.6, 0.00309576/step, 0.780648 hours remaining, 242.351562 MB of memory in use. ENERGY: 4092200 3993.7944 20478.4163 14493.3894 235.3403 -202945.9225 2286.7582 0.0000 0.0000 52253.1807 -109205.0434 300.2997 -161458.2241 -108840.3572 300.4786 -464.5093 -435.6069 763244.9353 2.7518 2.6650 LDB: ============= START OF LOAD BALANCING ============== 13005.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13005.1 LDB: =============== DONE WITH MIGRATION ================ 13005.1 LDB: ============= START OF LOAD BALANCING ============== 13005.4 LDB: Largest compute 7055 load 0.035705 is 18.3% of average load 0.195255 LDB: Average compute 0.004403 is 2.3% of average load 0.195255 LDB: TIME 13005.4 LOAD: AVG 0.195255 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.34 MB LDB: TIME 13005.4 LOAD: AVG 0.195255 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.543 MB LDB: TIME 13005.4 LOAD: AVG 0.195255 MAX 0.214706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.543 MB LDB: ============== END OF LOAD BALANCING =============== 13005.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13005.4 PRESSURE: 4092400 -222.173 -154.415 -122.591 -154.414 6.81368 155.252 -122.591 155.252 -50.8987 GPRESSURE: 4092400 -94.3327 -80.1554 -146.973 -204.158 -22.2082 112.999 -177.822 215.074 -74.3236 PRESSAVG: 4092400 -3.564 18.447 24.3162 18.447 18.6054 47.8794 24.3162 47.8794 5.05117 GPRESSAVG: 4092400 -2.87425 19.361 23.8381 16.1678 16.8698 48.2941 26.811 47.6793 5.52662 TIMING: 4092400 CPU: 12993.3, 0.00319999/step Wall: 12993.3, 0.00319999/step, 0.806754 hours remaining, 241.949219 MB of memory in use. ENERGY: 4092400 3929.5650 20532.2374 14524.7708 253.4957 -203027.4508 2289.1024 0.0000 0.0000 52360.3987 -109137.8808 300.9159 -161498.2795 -108775.3913 300.0083 -88.7527 -63.6215 761559.4562 6.6975 6.5074 PRESSURE: 4092600 -148.135 -36.4045 -108.777 -36.4036 -80.0237 267.355 -108.778 267.356 16.4995 GPRESSURE: 4092600 -113.601 -16.637 -84.4253 -21.6928 -7.185 134.809 -162.523 168.452 -10.6153 PRESSAVG: 4092600 48.652 45.1166 -16.3895 45.1166 -52.4608 18.8918 -16.3895 18.8918 30.3848 GPRESSAVG: 4092600 47.5098 45.3207 -15.7564 48.5024 -51.8583 19.0514 -15.4407 17.9455 31.1175 TIMING: 4092600 CPU: 12993.9, 0.00315368/step Wall: 12993.9, 0.00315368/step, 0.794904 hours remaining, 242.152344 MB of memory in use. ENERGY: 4092600 4021.5362 20563.3319 14479.3378 238.0926 -203155.8433 2399.5672 0.0000 0.0000 52333.7362 -109120.2414 300.7627 -161453.9776 -108753.9749 300.3864 -70.5531 -43.8004 761673.2547 8.8587 8.9230 PRESSURE: 4092800 -209.944 260.413 32.2511 260.414 -61.382 -129.334 32.251 -129.335 -171.139 GPRESSURE: 4092800 -133.973 333.949 -18.7234 243 -42.9681 -108.535 70.6434 -160.666 -205.798 PRESSAVG: 4092800 7.99527 11.6374 49.0863 11.6374 -5.99033 52.3637 49.0862 52.3637 -4.10393 GPRESSAVG: 4092800 8.05751 9.13451 48.1595 11.4537 -5.58374 52.0122 49.2596 53.2121 -4.72897 TIMING: 4092800 CPU: 12994.5, 0.00314808/step Wall: 12994.5, 0.00314808/step, 0.793316 hours remaining, 242.152344 MB of memory in use. ENERGY: 4092800 4062.3519 20645.8560 14524.4837 255.8450 -203224.6611 2545.8481 0.0000 0.0000 52160.7817 -109029.4946 299.7687 -161190.2764 -108670.3178 300.1808 -147.4884 -127.5795 761547.8893 -0.6997 -0.7517 PRESSURE: 4093000 -92.067 -144.443 16.4874 -144.441 -114.863 33.8786 16.4881 33.8798 304.229 GPRESSURE: 4093000 -41.6842 -120.249 29.2949 -259.819 -97.7932 -68.8467 52.4344 69.8113 320.065 PRESSAVG: 4093000 3.88724 -65.0973 62.4493 -65.0974 5.09022 1.55926 62.4493 1.55927 -15.3682 GPRESSAVG: 4093000 3.38549 -62.1822 62.6819 -66.5418 4.01803 -1.21252 60.6003 1.38009 -13.9913 TIMING: 4093000 CPU: 12995.2, 0.00313053/step Wall: 12995.2, 0.00313053/step, 0.78872 hours remaining, 242.152344 MB of memory in use. ENERGY: 4093000 4030.1757 20462.1655 14537.9039 250.3861 -203406.3711 2761.1244 0.0000 0.0000 52238.0603 -109126.5552 300.2129 -161364.6155 -108763.9017 300.0759 32.4330 60.1958 760862.7820 -2.1302 -2.1959 PRESSURE: 4093200 -53.0383 -134.229 286.452 -134.229 -196.04 -26.0741 286.453 -26.0741 -226.305 GPRESSURE: 4093200 -58.2684 -253.222 208.596 -197.002 -104.76 -11.648 195.544 -118.3 -228.485 PRESSAVG: 4093200 11.1294 -58.7103 72.5423 -58.7102 3.33944 55.7277 72.5423 55.7278 17.518 GPRESSAVG: 4093200 12.1298 -60.8443 72.6584 -57.82 3.5824 59.3194 72.2729 54.8874 16.3216 TIMING: 4093200 CPU: 12995.8, 0.0031338/step Wall: 12995.8, 0.0031338/step, 0.78937 hours remaining, 242.152344 MB of memory in use. ENERGY: 4093200 4132.4370 20595.1059 14440.7134 271.4837 -202804.3731 2334.7170 0.0000 0.0000 52026.9577 -109002.9582 298.9996 -161029.9159 -108652.5287 300.1652 -158.4610 -130.5047 761418.5064 10.6623 10.6779 PRESSURE: 4093400 235.224 -245.446 -45.6066 -245.446 -190.946 246.158 -45.6066 246.158 -160.255 GPRESSURE: 4093400 242.25 -181.473 -90.7054 -156.437 -169.1 249.628 -136.415 223.772 -116.981 PRESSAVG: 4093400 33.2955 -73.5567 2.81268 -73.5566 -26.0183 8.21153 2.81268 8.21152 -22.6772 GPRESSAVG: 4093400 31.1934 -72.0246 3.54962 -72.2754 -25.3469 8.27416 1.4865 8.7107 -21.561 TIMING: 4093400 CPU: 12996.4, 0.003137/step Wall: 12996.4, 0.003137/step, 0.790001 hours remaining, 242.152344 MB of memory in use. ENERGY: 4093400 3988.7142 20498.7093 14433.1713 270.4790 -203191.1648 2480.5932 0.0000 0.0000 52366.2681 -109153.2298 300.9497 -161519.4979 -108781.8662 300.7268 -38.6590 -14.6103 761241.7585 -5.1333 -5.2382 PRESSURE: 4093600 -41.8346 -89.1722 10.0747 -89.172 351.233 -27.3571 10.0751 -27.3575 67.4093 GPRESSURE: 4093600 108.915 -10.2728 48.3605 -137.099 226.007 34.5787 -122.654 88.5422 138.33 PRESSAVG: 4093600 -14.3798 -61.593 -24.8381 -61.593 35.1713 -12.9548 -24.8381 -12.9548 14.1772 GPRESSAVG: 4093600 -12.0998 -63.219 -24.7015 -61.8606 34.126 -12.7621 -24.3628 -14.1891 13.411 TIMING: 4093600 CPU: 12997, 0.00313634/step Wall: 12997, 0.00313634/step, 0.789661 hours remaining, 242.152344 MB of memory in use. ENERGY: 4093600 4039.7451 20542.7828 14458.6446 240.0266 -203231.3228 2552.9827 0.0000 0.0000 52233.1917 -109163.9493 300.1849 -161397.1410 -108801.6405 300.5040 125.6026 157.7507 760555.8586 11.6562 11.8124 PRESSURE: 4093800 -170.755 73.8041 57.5515 73.8047 151.014 -37.874 57.5517 -37.8741 390.625 GPRESSURE: 4093800 -23.823 113.931 -24.0239 -24.2973 143.315 -101.986 53.6576 -77.2412 325.688 PRESSAVG: 4093800 -0.781704 -5.96462 -16.586 -5.96458 9.61161 -32.6326 -16.586 -32.6325 11.9048 GPRESSAVG: 4093800 -0.897465 -4.78313 -15.9811 -6.63487 10.3134 -34.5597 -16.3284 -32.2221 11.4167 TIMING: 4093800 CPU: 12997.7, 0.00314556/step Wall: 12997.7, 0.00314556/step, 0.791808 hours remaining, 242.152344 MB of memory in use. ENERGY: 4093800 4009.8107 20692.2225 14537.8045 257.0192 -203290.5449 2437.6370 0.0000 0.0000 52185.8058 -109170.2452 299.9125 -161356.0509 -108795.0280 300.5169 123.6281 148.3933 761428.0589 6.9116 6.9442 PRESSURE: 4094000 -118.664 154.25 -49.5876 154.251 -20.757 136.706 -49.5878 136.706 -248.955 GPRESSURE: 4094000 -61.6967 210.166 -43.5226 181.488 -110.93 130.454 -63.6878 162.353 -158.702 PRESSAVG: 4094000 86.2851 10.4408 -53.8195 10.4409 -33.2718 -24.884 -53.8196 -24.8839 3.67126 GPRESSAVG: 4094000 85.5607 11.8995 -56.0514 10.9772 -32.9865 -24.6543 -51.4397 -25.7317 3.59405 TIMING: 4094000 CPU: 12998.3, 0.00315992/step Wall: 12998.3, 0.00315992/step, 0.795247 hours remaining, 242.152344 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: 4094000 3944.2030 20773.9309 14499.3979 267.6709 -203120.2781 2427.0135 0.0000 0.0000 51982.8997 -109225.1623 298.7464 -161208.0620 -108868.6420 300.3546 -129.4586 -110.4430 761164.6690 18.8949 18.7228 PRESSURE: 4094200 -131.191 -146.774 232.569 -146.773 210.623 229.905 232.568 229.903 -9.56329 GPRESSURE: 4094200 -64.7714 -66.2374 269.826 -108.146 226.895 287.129 133.618 228.586 -13.0057 PRESSAVG: 4094200 17.9697 -60.3076 -47.8436 -60.3076 -32.845 33.1716 -47.8436 33.1716 11.5546 GPRESSAVG: 4094200 19.1113 -61.8622 -46.2449 -60.1727 -35.1306 33.006 -51.5811 32.932 12.8802 TIMING: 4094200 CPU: 12998.9, 0.00316303/step Wall: 12998.9, 0.00316303/step, 0.795854 hours remaining, 242.152344 MB of memory in use. ENERGY: 4094200 3941.6771 20536.3887 14477.9298 257.3091 -203428.5767 2447.8694 0.0000 0.0000 52403.4415 -109363.9610 301.1633 -161767.4025 -109002.7946 299.8541 23.2896 49.7060 760450.0311 -1.1069 -1.0464 PRESSURE: 4094400 -218.978 35.8597 72.98 35.8602 -86.8339 -485.996 72.98 -485.996 -224.136 GPRESSURE: 4094400 -98.9844 125.382 108.86 -46.117 -72.7913 -432.143 -149.616 -387.944 -238.263 PRESSAVG: 4094400 -38.3227 -3.91065 -33.192 -3.91067 0.0831934 4.12608 -33.1921 4.12623 -20.6766 GPRESSAVG: 4094400 -38.9121 -3.8325 -34.2263 -4.76984 1.74682 3.16218 -30.7203 6.77698 -21.2771 TIMING: 4094400 CPU: 12999.6, 0.00315498/step Wall: 12999.6, 0.00315498/step, 0.793653 hours remaining, 242.152344 MB of memory in use. ENERGY: 4094400 4035.2850 20578.2070 14537.2037 231.9425 -203283.8943 2510.3653 0.0000 0.0000 51859.6568 -109531.2340 298.0382 -161390.8908 -109168.7821 299.6910 -176.6493 -136.6797 763276.2305 -19.6387 -19.4808 PRESSURE: 4094600 -11.9306 6.01588 -23.2708 6.01691 -94.4581 94.7827 -23.2701 94.7828 82.7902 GPRESSURE: 4094600 13.9054 65.5551 -55.2872 27.4047 -47.9543 78.1862 22.5464 68.6343 106.753 PRESSAVG: 4094600 -12.4112 33.8175 -19.242 33.8174 31.1563 22.1809 -19.2419 22.1809 1.94685 GPRESSAVG: 4094600 -11.9586 32.1938 -18.5812 33.4801 31.3013 24.9951 -20.3782 20.6706 1.36106 TIMING: 4094600 CPU: 13000.2, 0.00312998/step Wall: 13000.2, 0.00312998/step, 0.787191 hours remaining, 242.152344 MB of memory in use. ENERGY: 4094600 3878.8769 20636.8855 14445.6991 236.9884 -203130.1932 2527.1036 0.0000 0.0000 51882.0614 -109522.5783 298.1669 -161404.6397 -109153.7077 299.7507 -7.8662 24.2346 761807.0513 6.8973 6.9012 PRESSURE: 4094800 72.9692 15.9341 -244.857 15.9334 -89.4362 -198.195 -244.856 -198.195 397.072 GPRESSURE: 4094800 153.98 -88.3558 -118.66 64.2617 -137.213 -305.242 -88.4675 -104.679 448.996 PRESSAVG: 4094800 -31.564 14.8269 2.26657 14.8269 -2.96383 -23.4417 2.26658 -23.4416 1.22104 GPRESSAVG: 4094800 -31.018 15.0004 1.87641 17.4473 -3.23653 -25.1274 4.16957 -24.0551 1.36453 TIMING: 4094800 CPU: 13000.8, 0.00316835/step Wall: 13000.8, 0.00316835/step, 0.796664 hours remaining, 242.152344 MB of memory in use. ENERGY: 4094800 3986.9141 20603.8599 14544.8147 247.7764 -203474.1155 2654.2150 0.0000 0.0000 51870.5547 -109565.9808 298.1008 -161436.5355 -109206.8631 299.1718 126.8684 155.2542 762042.3301 -11.1023 -10.9633 PRESSURE: 4095000 -235.892 133.21 -49.5055 133.21 379.123 9.59681 -49.5059 9.59698 -345.369 GPRESSURE: 4095000 -211.087 159.031 -66.1742 87.4341 393.387 -73.099 -37.1916 95.705 -311.78 PRESSAVG: 4095000 -18.0329 26.983 -9.56426 26.983 38.2188 -38.5272 -9.56434 -38.5273 -14.7611 GPRESSAVG: 4095000 -18.4415 27.1927 -8.36969 26.4017 37.715 -38.9944 -10.6448 -36.5239 -13.5475 TIMING: 4095000 CPU: 13001.5, 0.00315966/step Wall: 13001.5, 0.00315966/step, 0.794305 hours remaining, 242.152344 MB of memory in use. ENERGY: 4095000 3949.6010 20658.1176 14447.8778 242.0774 -203288.1159 2363.3102 0.0000 0.0000 51961.9417 -109665.1902 298.6260 -161627.1319 -109301.5930 299.1632 -67.3792 -43.1599 763355.9850 1.8083 1.9087 PRESSURE: 4095200 1.59136 -34.7272 95.9747 -34.7278 -110.775 -143.939 95.9756 -143.939 -212.595 GPRESSURE: 4095200 -38.3125 -10.6623 158.185 -115.257 -70.1451 -75.7892 40.3608 -56.2793 -137.948 PRESSAVG: 4095200 -74.6997 17.5122 38.6703 17.5123 6.40643 -18.9959 38.6703 -18.996 31.8072 GPRESSAVG: 4095200 -75.0765 18.9022 37.5307 14.8868 6.74521 -19.361 37.7669 -20.301 31.6876 TIMING: 4095200 CPU: 13002.1, 0.00315916/step Wall: 13002.1, 0.00315916/step, 0.794002 hours remaining, 242.152344 MB of memory in use. ENERGY: 4095200 3972.5931 20563.6067 14460.6484 245.2156 -203533.9573 2686.5142 0.0000 0.0000 52022.4253 -109582.9541 298.9736 -161605.3794 -109221.3131 299.0278 -107.2593 -82.1352 762999.9720 -12.1620 -12.2146 PRESSURE: 4095400 -302.821 42.2339 202.353 42.2333 -57.5588 185.521 202.354 185.521 264.254 GPRESSURE: 4095400 -237.142 67.2489 161.636 53.454 29.2154 205.321 178.235 223.303 219.756 PRESSAVG: 4095400 -68.7038 -20.6605 -18.7807 -20.6606 94.1421 14.1443 -18.7807 14.1443 6.31439 GPRESSAVG: 4095400 -67.2521 -19.2491 -20.0683 -18.7776 94.5525 15.2418 -16.7469 13.7126 4.80772 TIMING: 4095400 CPU: 13002.7, 0.00315943/step Wall: 13002.7, 0.00315943/step, 0.793895 hours remaining, 242.152344 MB of memory in use. ENERGY: 4095400 3957.9570 20396.8674 14487.9360 238.6389 -203607.3800 2610.2656 0.0000 0.0000 52403.7305 -109511.9847 301.1650 -161915.7152 -109154.8858 299.4808 -32.0422 3.9433 761240.8654 10.5842 10.7027 PRESSURE: 4095600 -31.5041 -199.357 -200.28 -199.358 16.2969 -182.763 -200.279 -182.762 124.177 GPRESSURE: 4095600 27.998 -160.702 -81.0283 -219.043 103.87 -192.275 -190.771 -28.0417 69.1219 PRESSAVG: 4095600 1.80784 19.4483 46.4325 19.4483 -16.658 21.7049 46.4325 21.705 -38.9156 GPRESSAVG: 4095600 0.106699 18.4732 47.839 19.7379 -18.0446 19.6377 45.6991 22.699 -36.2929 TIMING: 4095600 CPU: 13003.4, 0.00314792/step Wall: 13003.4, 0.00314792/step, 0.790828 hours remaining, 242.152344 MB of memory in use. ENERGY: 4095600 3996.5227 20692.5559 14483.4844 276.9318 -203383.5072 2522.5875 0.0000 0.0000 52206.1364 -109205.2884 300.0294 -161411.4248 -108835.5988 300.3181 36.3232 66.9968 760586.9632 -17.9219 -18.0769 PRESSURE: 4095800 -56.9199 -287.8 17.1266 -287.799 184.66 9.0147 17.1266 9.01515 -198.29 GPRESSURE: 4095800 12.3433 -179.484 89.2235 -234.412 150.282 -10.9421 54.0408 -40.5629 -164.245 PRESSAVG: 4095800 -18.0738 -9.89867 15.7758 -9.89867 25.3644 3.18665 15.7758 3.18664 -0.102626 GPRESSAVG: 4095800 -16.2285 -11.7578 15.4258 -10.816 25.2131 4.90894 16.6669 2.01937 -1.23265 TIMING: 4095800 CPU: 13004, 0.00313689/step Wall: 13004, 0.00313689/step, 0.787881 hours remaining, 242.152344 MB of memory in use. ENERGY: 4095800 3958.0015 20611.3168 14485.2806 266.4164 -203378.6040 2456.7505 0.0000 0.0000 52350.9855 -109249.8528 300.8618 -161600.8382 -108888.1554 300.1483 -23.5167 -0.5397 759583.7407 2.3960 2.5840 PRESSURE: 4096000 244.999 -258.547 -18.0557 -258.547 -244.496 158.87 -18.0554 158.87 150.35 GPRESSURE: 4096000 245.62 -279.981 -11.5595 -244.331 -138.199 204.188 -23.988 51.4809 129.624 PRESSAVG: 4096000 15.0602 34.7196 12.1514 34.7197 -11.8262 -1.42578 12.1514 -1.42584 -5.57767 GPRESSAVG: 4096000 14.2745 34.5351 13.4594 33.7022 -10.5819 -1.94723 12.1024 -2.80925 -5.96657 TIMING: 4096000 CPU: 13004.6, 0.00314291/step Wall: 13004.6, 0.00314291/step, 0.789221 hours remaining, 242.152344 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: 4096000 4036.4448 20767.3880 14404.8170 259.6339 -203125.4820 2624.5271 0.0000 0.0000 52064.1411 -108968.5301 299.2133 -161032.6712 -108614.5176 300.2103 50.2842 79.0150 760927.9538 -0.7812 -0.7580 PRESSURE: 4096200 -264.384 -128.678 -33.4398 -128.678 -170.803 3.90764 -33.4401 3.90785 -135.032 GPRESSURE: 4096200 -230.033 -96.6314 32.2743 -44.5399 -113.084 -1.06449 24.2297 -24.0546 -151.701 PRESSAVG: 4096200 41.3656 -20.6733 14.7774 -20.6733 -42.6149 -27.2644 14.7774 -27.2644 8.43265 GPRESSAVG: 4096200 40.8669 -18.6339 13.3871 -19.8017 -42.4586 -27.362 13.3438 -26.1755 8.92648 TIMING: 4096200 CPU: 13005.2, 0.00314663/step Wall: 13005.2, 0.00314663/step, 0.789979 hours remaining, 242.152344 MB of memory in use. ENERGY: 4096200 4051.5805 20697.2938 14495.7886 235.9420 -203080.1588 2323.7646 0.0000 0.0000 52308.4647 -108967.3246 300.6175 -161275.7893 -108604.7896 300.9462 -190.0730 -164.9392 761751.5816 2.3945 2.4449 LDB: ============= START OF LOAD BALANCING ============== 13017.7 LDB: ============== END OF LOAD BALANCING =============== 13017.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13017.7 LDB: ============= START OF LOAD BALANCING ============== 13018 LDB: Largest compute 7055 load 0.036725 is 18.8% of average load 0.195451 LDB: Average compute 0.004394 is 2.2% of average load 0.195451 LDB: TIME 13018 LOAD: AVG 0.195451 MAX 0.212927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 13018 LOAD: AVG 0.195451 MAX 0.212927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 13018 LOAD: AVG 0.195451 MAX 0.212927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 13018 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13018 PRESSURE: 4096400 71.9793 101.906 178.375 101.905 354.213 128.95 178.375 128.95 -272.677 GPRESSURE: 4096400 87.8358 48.3019 183.821 202.922 350.621 122.494 104.6 169.081 -216.861 PRESSAVG: 4096400 39.4401 -3.60431 5.51364 -3.60436 -74.9062 -24.3484 5.51367 -24.3484 2.85831 GPRESSAVG: 4096400 40.787 -4.60496 6.65258 -2.9114 -75.769 -22.7013 6.30135 -22.9542 2.24194 TIMING: 4096400 CPU: 13005.9, 0.00321335/step Wall: 13005.9, 0.00321335/step, 0.806552 hours remaining, 240.355469 MB of memory in use. ENERGY: 4096400 3986.8953 20557.3071 14495.0015 254.0978 -203536.5048 2738.4138 0.0000 0.0000 52428.2339 -109076.5553 301.3058 -161504.7892 -108702.9424 300.7319 51.1716 73.8653 761383.3154 -10.8693 -10.9134 PRESSURE: 4096600 -19.8709 -251.113 -9.22416 -251.113 107.125 212.103 -9.2238 212.103 -105.671 GPRESSURE: 4096600 -14.7598 -122.244 -13.9783 -224.053 154.033 127.314 -30.1751 199.026 -63.461 PRESSAVG: 4096600 41.2571 -15.4607 25.5049 -15.4607 -16.023 11.8182 25.5049 11.8182 -11.493 GPRESSAVG: 4096600 40.4499 -14.7249 26.5201 -15.4968 -15.3606 11.1658 23.9778 9.84574 -11.0455 TIMING: 4096600 CPU: 13006.5, 0.00313938/step Wall: 13006.5, 0.00313938/step, 0.78781 hours remaining, 240.355469 MB of memory in use. ENERGY: 4096600 4029.7905 20583.3747 14512.0898 245.2468 -203659.1331 2743.4944 0.0000 0.0000 52259.9310 -109285.2058 300.3385 -161545.1368 -108927.5927 300.7738 -6.1391 25.2709 759957.3755 4.5804 4.6813 PRESSURE: 4096800 119.793 4.3029 89.0251 4.30323 -4.91022 35.3495 89.0243 35.35 -49.9047 GPRESSURE: 4096800 82.9786 29.5537 50.9528 42.3351 73.1754 -10.5935 189.303 -160.974 -19.8869 PRESSAVG: 4096800 16.3137 -44.8131 9.49295 -44.813 -9.31795 -6.64502 9.49298 -6.64502 23.3615 GPRESSAVG: 4096800 17.4772 -44.9942 6.94449 -44.526 -9.2137 -7.4754 12.5552 -7.49114 22.0308 TIMING: 4096800 CPU: 13007.1, 0.00313171/step Wall: 13007.1, 0.00313172/step, 0.785713 hours remaining, 240.355469 MB of memory in use. ENERGY: 4096800 3960.7426 20548.6248 14511.4595 259.7674 -203189.6587 2231.2369 0.0000 0.0000 52218.5682 -109459.2593 300.1008 -161677.8275 -109086.1124 300.6962 21.6594 45.4223 759689.0118 10.1191 10.0981 PRESSURE: 4097000 47.4535 48.6727 143.286 48.6731 193.331 -201.405 143.286 -201.406 24.579 GPRESSURE: 4097000 8.75309 14.9512 75.0555 -2.45324 290.737 -191.309 110.294 -81.0864 88.8331 PRESSAVG: 4097000 21.3616 -23.8998 0.529859 -23.8998 -30.8913 -10.0336 0.529844 -10.0336 24.7169 GPRESSAVG: 4097000 21.0771 -22.3127 1.30056 -24.6008 -31.2532 -9.79821 -0.900456 -7.44236 25.7543 TIMING: 4097000 CPU: 13007.8, 0.00314508/step Wall: 13007.8, 0.00314508/step, 0.788892 hours remaining, 240.355469 MB of memory in use. ENERGY: 4097000 4072.2985 20354.7019 14558.9290 235.9368 -203521.2486 2563.0132 0.0000 0.0000 52080.8821 -109655.4869 299.3095 -161736.3691 -109295.8368 299.6006 88.4544 129.4412 759383.9415 5.0624 5.1927 PRESSURE: 4097200 -372.588 -48.4027 -51.9488 -48.4014 -255.167 102.548 -51.9487 102.548 -290.979 GPRESSURE: 4097200 -255.494 -61.6247 -55.0467 -53.3958 -301.06 47.2986 -47.64 13.9818 -268.305 PRESSAVG: 4097200 -57.0434 -60.6336 -7.2581 -60.6336 29.7812 27.6075 -7.2581 27.6076 -5.80683 GPRESSAVG: 4097200 -55.7398 -65.0114 -7.84 -58.5653 29.2443 28.9049 -6.92458 26.1836 -5.66834 TIMING: 4097200 CPU: 13008.4, 0.00315215/step Wall: 13008.4, 0.00315215/step, 0.790488 hours remaining, 240.355469 MB of memory in use. ENERGY: 4097200 4032.9857 20572.3000 14508.9046 259.3959 -203430.2987 2417.9257 0.0000 0.0000 51984.8705 -109653.9163 298.7578 -161638.7868 -109300.4295 299.6872 -306.2445 -274.9530 761666.9515 -11.0230 -10.7213 PRESSURE: 4097400 314.02 -74.3045 123.123 -74.3048 306.33 -200.442 123.124 -200.442 253.574 GPRESSURE: 4097400 344.678 41.9611 131.616 -21.8547 332.338 -185.364 116.499 -307.297 264.324 PRESSAVG: 4097400 -26.6084 -5.76136 34.5571 -5.7613 -3.6671 53.2682 34.5572 53.2682 1.85316 GPRESSAVG: 4097400 -26.8513 -1.48247 35.2446 -8.40236 -4.06071 53.0258 34.29 53.1581 1.96933 TIMING: 4097400 CPU: 13009, 0.00312809/step Wall: 13009, 0.0031281/step, 0.784283 hours remaining, 240.355469 MB of memory in use. ENERGY: 4097400 3951.9229 20478.2448 14475.1023 234.4704 -203851.1726 2784.5403 0.0000 0.0000 52206.9703 -109719.9216 300.0342 -161926.8919 -109358.2307 299.2746 291.3082 313.7797 759340.0211 -9.4741 -9.6476 PRESSURE: 4097600 -182.694 255.131 -187.542 255.131 372.302 83.2961 -187.542 83.2954 242.904 GPRESSURE: 4097600 -162.653 117.787 -118.771 265.29 373.063 21.3779 -53.7526 79.2946 278.433 PRESSAVG: 4097600 -0.375271 64.5642 -6.33951 64.5641 17.4958 -0.997935 -6.33952 -0.997838 4.7368 GPRESSAVG: 4097600 -1.43768 63.6896 -5.12941 67.1542 18.6789 -1.04489 -6.73741 -1.32047 4.697 TIMING: 4097600 CPU: 13009.7, 0.00315856/step Wall: 13009.7, 0.00315856/step, 0.791746 hours remaining, 240.355469 MB of memory in use. ENERGY: 4097600 3952.2363 20668.4232 14511.7207 244.8643 -203754.5279 2562.6541 0.0000 0.0000 52245.2655 -109569.3639 300.2543 -161814.6294 -109216.1662 299.6107 144.1705 162.9476 759611.4441 7.2858 7.3127 PRESSURE: 4097800 104.314 -32.6078 135.098 -32.6068 -33.7023 -29.9083 135.098 -29.9082 221.357 GPRESSURE: 4097800 85.6532 -41.4877 128.81 -8.13765 54.4848 0.436942 184.461 31.7093 240.902 PRESSAVG: 4097800 -5.24872 16.1334 -11.1904 16.1335 -4.45582 -27.2779 -11.1904 -27.2779 -2.48759 GPRESSAVG: 4097800 -5.72569 13.6183 -11.6822 14.9714 -3.32204 -27.525 -10.2024 -26.9718 -2.82933 TIMING: 4097800 CPU: 13010.3, 0.00312687/step Wall: 13010.3, 0.00312687/step, 0.783629 hours remaining, 240.355469 MB of memory in use. ENERGY: 4097800 3941.9269 20647.7112 14435.7576 239.4377 -203360.2275 2390.5577 0.0000 0.0000 52073.0223 -109631.8141 299.2644 -161704.8364 -109262.5299 299.1857 97.3228 127.0133 761381.2410 -4.0640 -3.9590 PRESSURE: 4098000 94.9408 74.4189 125.435 74.4192 -183.823 199.86 125.435 199.861 132.562 GPRESSURE: 4098000 100.098 138.487 121.747 6.71409 -107.778 193.953 -10.4321 287.323 147.986 PRESSAVG: 4098000 39.1813 -8.58115 16.362 -8.58112 -47.3287 66.6069 16.3619 66.607 16.2862 GPRESSAVG: 4098000 39.5244 -6.5457 16.806 -9.38693 -47.6629 66.3282 12.5832 67.6058 16.36 TIMING: 4098000 CPU: 13010.9, 0.00312417/step Wall: 13010.9, 0.00312417/step, 0.782779 hours remaining, 240.355469 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: 4098000 3967.7510 20477.4729 14388.3613 257.4064 -203717.6086 2687.3192 0.0000 0.0000 52125.9708 -109813.3268 299.5687 -161939.2977 -109447.6513 299.0970 14.5598 46.7685 760924.6072 2.7129 2.7405 PRESSURE: 4098200 -6.54448 37.0311 -116.927 37.0312 -72.154 -74.5775 -116.928 -74.5782 -100.396 GPRESSURE: 4098200 75.3912 51.1193 -44.2021 -14.6901 -45.3279 -150.066 -74.7042 -54.0816 -121.736 PRESSAVG: 4098200 24.9251 52.1192 38.8596 52.1191 -25.7372 30.0772 38.8596 30.0772 9.81901 GPRESSAVG: 4098200 24.1214 50.402 37.0592 53.739 -25.4584 30.4583 41.9319 28.3745 9.97594 TIMING: 4098200 CPU: 13011.5, 0.00312682/step Wall: 13011.5, 0.00312682/step, 0.783268 hours remaining, 240.355469 MB of memory in use. ENERGY: 4098200 4017.7848 20690.1731 14508.8239 249.1060 -203680.8515 2615.2074 0.0000 0.0000 51889.2875 -109710.4689 298.2084 -161599.7564 -109356.2130 298.9921 -59.6983 -30.5574 761155.8597 3.0023 2.8796 PRESSURE: 4098400 -164.253 -88.5481 -15.538 -88.5478 -6.3858 -15.7702 -15.5393 -15.7696 -239.5 GPRESSURE: 4098400 -37.6707 -64.724 17.4815 -77.8082 -123.105 17.658 -100.394 -20.035 -156.174 PRESSAVG: 4098400 64.2396 -27.9668 22.3466 -27.9669 -64.9747 0.248059 22.3465 0.248058 -2.66303 GPRESSAVG: 4098400 63.7231 -26.1219 24.3644 -28.8872 -65.5038 0.13686 20.3733 0.811053 -2.64153 TIMING: 4098400 CPU: 13012.2, 0.00314142/step Wall: 13012.2, 0.00314142/step, 0.786751 hours remaining, 240.355469 MB of memory in use. ENERGY: 4098400 4011.4934 20330.0680 14447.9769 247.2510 -203395.4020 2546.5741 0.0000 0.0000 52092.3192 -109719.7194 299.3753 -161812.0386 -109355.3876 298.8323 -136.7129 -105.6500 761265.1378 -1.1327 -1.4741 PRESSURE: 4098600 -199.661 -55.5719 180.974 -55.5715 -150.691 -159.492 180.974 -159.493 35.8761 GPRESSURE: 4098600 -178.208 -74.7361 76.8578 -106.898 -62.894 -148.256 191.144 -134.644 6.09062 PRESSAVG: 4098600 89.8456 -21.6648 11.5131 -21.6648 -50.7879 -27.2983 11.513 -27.2983 -5.26415 GPRESSAVG: 4098600 90.1885 -21.2991 11.1726 -23.2459 -50.7402 -27.6174 13.5292 -27.173 -5.61807 TIMING: 4098600 CPU: 13012.8, 0.00311194/step Wall: 13012.8, 0.00311194/step, 0.779196 hours remaining, 240.355469 MB of memory in use. ENERGY: 4098600 3992.8789 20533.2044 14489.4020 247.4167 -203494.5606 2629.3869 0.0000 0.0000 52187.1675 -109415.1043 299.9204 -161602.2718 -109052.8965 299.5044 -104.8254 -78.3373 762313.9800 11.2645 11.2767 PRESSURE: 4098800 -13.5284 -16.0049 5.84133 -16.0055 -339.723 80.587 5.84118 80.5875 -19.2635 GPRESSURE: 4098800 61.3096 -27.0339 129.118 -11.7126 -318.687 79.2193 -104.601 75.8831 -9.26037 PRESSAVG: 4098800 6.59171 -13.4979 -19.6355 -13.4979 -32.7473 28.6068 -19.6354 28.6068 -3.03181 GPRESSAVG: 4098800 5.69365 -14.9521 -20.3465 -12.2478 -33.3614 27.8779 -18.3327 27.8342 -1.58285 TIMING: 4098800 CPU: 13013.4, 0.00311108/step Wall: 13013.4, 0.00311108/step, 0.778807 hours remaining, 240.355469 MB of memory in use. ENERGY: 4098800 4073.7028 20491.3355 14442.6298 244.6262 -203211.9721 2341.5498 0.0000 0.0000 52110.6487 -109507.4793 299.4806 -161618.1280 -109134.4601 299.4067 -124.1717 -88.8791 760260.7412 -9.7291 -9.7502 PRESSURE: 4099000 129.984 -57.4462 -44.5968 -57.4465 122.289 -139.945 -44.5962 -139.947 40.5161 GPRESSURE: 4099000 185.388 -66.5923 52.3734 -44.4793 218.858 -168.264 34.1806 -145.659 -22.2624 PRESSAVG: 4099000 -20.132 -20.1704 -30.0032 -20.1704 32.5206 39.0236 -30.0032 39.0237 17.4312 GPRESSAVG: 4099000 -18.9235 -19.2082 -29.0758 -18.1116 33.2661 40.5046 -33.2207 41.23 15.8688 TIMING: 4099000 CPU: 13014, 0.00313666/step Wall: 13014, 0.00313666/step, 0.785036 hours remaining, 240.355469 MB of memory in use. ENERGY: 4099000 3953.3080 20606.8693 14516.2087 250.2218 -203467.2924 2534.8135 0.0000 0.0000 52049.1607 -109556.7104 299.1272 -161605.8711 -109191.9547 299.3834 97.5964 127.3278 758968.8837 9.9399 10.0705 PRESSURE: 4099200 -605.433 195.041 -132.453 195.041 52.1597 -150.581 -132.453 -150.581 31.8079 GPRESSURE: 4099200 -480.125 200.681 -87.6798 85.8995 7.89313 -140.444 -98.9027 -135.689 45.8667 PRESSAVG: 4099200 -21.9836 15.9323 -63.5491 15.9324 29.2693 42.9122 -63.5491 42.9122 -11.6111 GPRESSAVG: 4099200 -20.9015 16.9751 -63.6747 13.7354 28.4252 41.5376 -61.8212 41.896 -12.0944 TIMING: 4099200 CPU: 13014.7, 0.0031417/step Wall: 13014.7, 0.0031417/step, 0.786124 hours remaining, 240.355469 MB of memory in use. ENERGY: 4099200 4051.8427 20757.6579 14441.9250 240.4977 -203606.1033 2550.0597 0.0000 0.0000 52095.4306 -109468.6897 299.3932 -161564.1203 -109109.0255 299.6348 -173.8216 -142.1216 759582.4396 -1.4418 -1.5236 PRESSURE: 4099400 30.7286 -225.602 -99.3303 -225.601 -20.8843 183.981 -99.3299 183.98 246.218 GPRESSURE: 4099400 127.468 -118.912 -162.604 -144.032 8.5965 184.358 -86.7606 196.511 220.38 PRESSAVG: 4099400 26.5179 8.69977 41.2541 8.69982 -47.8347 29.2877 41.2542 29.2878 41.8837 GPRESSAVG: 4099400 25.4973 7.0408 41.0254 10.0185 -48.0843 30.0496 40.2221 30.1585 42.798 TIMING: 4099400 CPU: 13015.3, 0.00313678/step Wall: 13015.3, 0.00313678/step, 0.784718 hours remaining, 240.355469 MB of memory in use. ENERGY: 4099400 3932.1710 20551.0110 14475.6294 242.7298 -203331.3043 2497.1151 0.0000 0.0000 52096.0684 -109536.5796 299.3968 -161632.6480 -109173.6311 299.6784 85.3543 118.8148 760257.4111 6.8556 6.7370 PRESSURE: 4099600 166.799 175.963 -13.0087 175.963 211.829 -96.7699 -13.0091 -96.7695 169.824 GPRESSURE: 4099600 165.945 192.125 -80.0656 165.001 280.648 -41.4937 56.523 -114.46 191.357 PRESSAVG: 4099600 -4.63184 50.9835 2.07784 50.9835 13.7828 5.00875 2.07785 5.00871 -5.6553 GPRESSAVG: 4099600 -4.36878 51.0732 2.39886 52.0025 13.9792 4.50719 5.10469 4.49176 -6.16179 TIMING: 4099600 CPU: 13015.9, 0.00313662/step Wall: 13015.9, 0.00313662/step, 0.784504 hours remaining, 240.355469 MB of memory in use. ENERGY: 4099600 3969.5074 20438.5957 14516.1402 267.5249 -203814.9395 2548.7680 0.0000 0.0000 52388.1852 -109686.2181 301.0756 -162074.4033 -109333.8458 299.2920 182.8172 212.6501 758943.3268 1.1652 1.1496 PRESSURE: 4099800 208.456 -48.0952 44.1473 -48.0954 -138.62 147.77 44.147 147.769 -175.392 GPRESSURE: 4099800 209.512 -87.58 -8.06744 -59.417 -76.8008 158.675 -113.7 156.549 -154.917 PRESSAVG: 4099800 33.6299 15.6423 25.6658 15.6422 -40.025 -2.20295 25.6658 -2.20304 -20.9699 GPRESSAVG: 4099800 32.3378 15.0403 25.6245 15.8247 -39.3763 -1.23514 22.1093 -2.74964 -20.1049 TIMING: 4099800 CPU: 13016.5, 0.00311652/step Wall: 13016.5, 0.00311652/step, 0.779302 hours remaining, 240.355469 MB of memory in use. ENERGY: 4099800 4012.6677 20508.3411 14412.5560 242.3191 -203551.1425 2539.6880 0.0000 0.0000 52074.9703 -109760.6003 299.2756 -161835.5706 -109395.8199 299.1249 -35.1855 -7.4016 759971.4486 -9.1216 -9.0478 PRESSURE: 4100000 179.648 -221.778 -45.2812 -221.778 -61.2053 110.112 -45.2811 110.113 -325.855 GPRESSURE: 4100000 122.56 21.5371 33.2569 -251.119 -16.1511 166.035 86.6258 -32.9924 -255.696 PRESSAVG: 4100000 7.82071 -39.2486 33.9812 -39.2486 -7.93665 -71.4922 33.9812 -71.4921 10.8848 GPRESSAVG: 4100000 9.59391 -39.9242 33.0274 -39.8722 -8.3786 -70.3772 34.1502 -74.0731 9.48498 TIMING: 4100000 CPU: 13017.2, 0.00315608/step Wall: 13017.2, 0.00315608/step, 0.789019 hours remaining, 240.355469 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: 4100000 4110.3057 20560.1129 14469.2521 243.7234 -203562.7464 2619.3164 0.0000 0.0000 52050.2936 -109509.7423 299.1338 -161560.0359 -109143.3199 299.0007 -69.1375 -49.7624 759958.3995 3.5896 3.5668 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100200 -254.213 125.705 9.79567 125.703 357.295 -130.847 9.79622 -130.849 -170.799 GPRESSURE: 4100200 -249.438 102.503 -49.202 92.2374 339.625 -176.287 -30.4606 -139.172 -83.0336 PRESSAVG: 4100200 -21.2645 6.89158 41.6117 6.89156 24.2283 -55.6573 41.6117 -55.6573 10.0879 GPRESSAVG: 4100200 -23.1435 7.34141 41.2798 6.48299 23.6156 -57.9303 43.768 -53.2293 12.0556 TIMING: 4100200 CPU: 13017.8, 0.00325762/step Wall: 13017.8, 0.00325762/step, 0.814223 hours remaining, 240.355469 MB of memory in use. ENERGY: 4100200 4051.4105 20826.6610 14430.0318 238.1525 -204071.1454 2855.5876 0.0000 0.0000 52174.8946 -109494.4074 299.8498 -161669.3020 -109144.2782 299.5957 -22.5723 2.3844 759167.1264 4.3506 4.1759 LDB: ============= START OF LOAD BALANCING ============== 13030.3 LDB: ============== END OF LOAD BALANCING =============== 13030.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13030.3 LDB: ============= START OF LOAD BALANCING ============== 13030.6 LDB: Largest compute 7056 load 0.034749 is 17.8% of average load 0.195389 LDB: Average compute 0.004413 is 2.3% of average load 0.195389 LDB: TIME 13030.6 LOAD: AVG 0.195389 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.668 MB LDB: TIME 13030.6 LOAD: AVG 0.195389 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.762 MB LDB: TIME 13030.6 LOAD: AVG 0.195389 MAX 0.213416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.762 MB LDB: ============== END OF LOAD BALANCING =============== 13030.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13030.6 PRESSURE: 4100400 -261.28 -57.9191 51.0785 -57.9189 -125.412 -143.713 51.0793 -143.712 82.7743 GPRESSURE: 4100400 -224.43 -58.9847 120.504 -113.503 -96.0098 -40.9074 0.933749 -218.934 100.874 PRESSAVG: 4100400 1.08249 -7.5488 8.6022 -7.54888 22.704 -40.5658 8.60222 -40.5659 -7.1709 GPRESSAVG: 4100400 0.314406 -7.34355 10.0299 -7.84738 24.1335 -39.161 7.18663 -41.9914 -7.4861 TIMING: 4100400 CPU: 13018.5, 0.0031952/step Wall: 13018.5, 0.0031952/step, 0.798446 hours remaining, 240.808594 MB of memory in use. ENERGY: 4100400 4041.2202 20503.1334 14384.7621 248.1908 -203716.5977 2788.1427 0.0000 0.0000 52441.6166 -109309.5318 301.3827 -161751.1484 -108960.5245 300.2687 -101.3058 -73.1889 762603.1740 5.5385 5.6539 PRESSURE: 4100600 -15.6298 12.9731 -185.462 12.9736 -111.517 -206.869 -185.461 -206.868 114.432 GPRESSURE: 4100600 9.68322 54.7246 -131.436 21.7502 -77.8652 -225.002 -243.545 -252.68 132.763 PRESSAVG: 4100600 -27.19 -35.0277 12.1338 -35.0276 -13.1434 -0.208757 12.1338 -0.208781 -17.1888 GPRESSAVG: 4100600 -26.667 -33.5666 10.0882 -34.6946 -14.9957 -1.54754 12.8824 1.69803 -16.3842 TIMING: 4100600 CPU: 13019.1, 0.00312914/step Wall: 13019.1, 0.00312914/step, 0.781763 hours remaining, 240.808594 MB of memory in use. ENERGY: 4100600 4055.6030 20520.6738 14430.4965 230.2173 -203659.6987 2768.4954 0.0000 0.0000 52178.2241 -109475.9885 299.8690 -161654.2127 -109111.5681 300.1194 -4.2383 21.5269 760793.6330 -19.1741 -19.3490 PRESSURE: 4100800 145.722 22.2045 13.1296 22.2042 96.7875 305.991 13.1289 305.99 23.6101 GPRESSURE: 4100800 200.08 56.2248 -9.83995 13.2172 53.9646 269.291 88.9533 285.916 93.5448 PRESSAVG: 4100800 1.4083 -12.2193 9.23279 -12.2194 -5.00845 30.4897 9.23281 30.4898 -13.2084 GPRESSAVG: 4100800 1.44899 -13.0503 9.68152 -13.5027 -4.26385 30.6962 7.5116 30.0312 -14.2653 TIMING: 4100800 CPU: 13019.7, 0.00311935/step Wall: 13019.7, 0.00311935/step, 0.779145 hours remaining, 240.808594 MB of memory in use. ENERGY: 4100800 4058.9954 20582.5733 14520.5303 255.4924 -203717.3166 2809.0583 0.0000 0.0000 52043.6370 -109447.0298 299.0955 -161490.6668 -109079.8958 299.8642 88.7064 115.8633 759286.2034 -5.6029 -5.6934 PRESSURE: 4101000 123.032 -100.725 113.477 -100.726 -157.393 364.621 113.477 364.621 -172.782 GPRESSURE: 4101000 202.011 18.0374 113.519 -129.447 -134.728 340.4 84.4956 215.563 -181.586 PRESSAVG: 4101000 18.7993 -54.2923 -36.19 -54.2923 -22.077 -44.4128 -36.1899 -44.4128 20.4504 GPRESSAVG: 4101000 18.9565 -56.2112 -34.9215 -53.449 -21.7405 -42.5283 -36.2233 -46.0351 19.7819 TIMING: 4101000 CPU: 13020.3, 0.00313335/step Wall: 13020.3, 0.00313335/step, 0.782466 hours remaining, 240.808594 MB of memory in use. ENERGY: 4101000 4039.1343 20535.4397 14446.5366 257.6233 -203267.8996 2537.8893 0.0000 0.0000 52216.7570 -109234.5194 300.0904 -161451.2764 -108871.7549 300.0410 -69.0479 -38.1009 760540.5057 5.7242 5.6660 PRESSURE: 4101200 -621.556 -179.097 -217.97 -179.098 -308.411 38.9671 -217.97 38.9682 277.659 GPRESSURE: 4101200 -486.107 -190.711 -72.433 -175.769 -295.973 49.4182 -225.058 104.82 215.487 PRESSAVG: 4101200 36.4697 -59.4111 -13.6492 -59.411 -9.24111 -46.5151 -13.6492 -46.5151 -5.45303 GPRESSAVG: 4101200 36.7489 -60.0261 -15.0491 -58.9451 -11.2434 -46.5932 -11.8316 -46.1126 -3.86815 TIMING: 4101200 CPU: 13021, 0.00313279/step Wall: 13021, 0.00313279/step, 0.782153 hours remaining, 240.808594 MB of memory in use. ENERGY: 4101200 4085.4079 20369.9508 14589.5083 259.8559 -203185.9857 2462.9879 0.0000 0.0000 52285.4125 -109132.8623 300.4850 -161418.2748 -108772.7117 300.5871 -217.4357 -188.8641 762045.7629 7.2585 7.2124 PRESSURE: 4101400 373.799 -107.582 0.54308 -107.583 -183.563 163.922 0.54262 163.922 -26.2633 GPRESSURE: 4101400 343.007 -56.3753 -14.8004 -105.846 -205.468 166.026 83.7141 113.714 102.684 PRESSAVG: 4101400 -3.42926 -68.9089 -13.2899 -68.9089 20.6065 33.1903 -13.29 33.1903 9.70874 GPRESSAVG: 4101400 -4.34657 -69.1348 -12.572 -68.9751 22.4271 32.1864 -13.5424 33.8988 8.55254 TIMING: 4101400 CPU: 13021.6, 0.00313086/step Wall: 13021.6, 0.00313086/step, 0.781497 hours remaining, 240.808594 MB of memory in use. ENERGY: 4101400 4085.9147 20489.5603 14483.9105 249.5821 -203372.3385 2656.8325 0.0000 0.0000 51994.3607 -109412.1778 298.8123 -161406.5385 -109053.3670 299.8551 54.6574 80.0744 760736.0775 8.9620 8.8777 PRESSURE: 4101600 -110.186 -262.901 -84.4869 -262.901 318.664 -25.1455 -84.4864 -25.145 267.382 GPRESSURE: 4101600 -84.5296 -139.53 -125.548 -168.878 368.583 -30.4076 -103.957 -73.3085 295.646 PRESSAVG: 4101600 -12.3709 -36.4814 8.91863 -36.4813 12.4761 43.2028 8.91863 43.2028 3.34454 GPRESSAVG: 4101600 -11.976 -33.9747 10.3997 -36.7587 11.1031 42.3224 7.4422 43.2145 5.01911 TIMING: 4101600 CPU: 13022.2, 0.0031224/step Wall: 13022.2, 0.0031224/step, 0.779211 hours remaining, 240.808594 MB of memory in use. ENERGY: 4101600 4016.7837 20546.2935 14418.2832 230.9704 -203271.0220 2430.4727 0.0000 0.0000 52049.0798 -109579.1388 299.1268 -161628.2186 -109214.4975 299.5364 158.6200 193.2331 761230.2964 1.1499 1.3820 PRESSURE: 4101800 80.1276 -85.2662 25.7331 -85.2666 -33.3247 -184.015 25.7325 -184.015 -129.472 GPRESSURE: 4101800 58.0563 -47.6122 55.2593 -97.621 -27.763 -229.245 1.3807 -79.5623 -19.5124 PRESSAVG: 4101800 -10.3082 -5.95802 37.7611 -5.95802 9.12349 42.8138 37.7611 42.8138 -18.1992 GPRESSAVG: 4101800 -11.3564 -6.95439 38.8273 -5.56762 10.5501 42.959 38.3196 43.1535 -18.4875 TIMING: 4101800 CPU: 13022.8, 0.00315589/step Wall: 13022.8, 0.00315589/step, 0.787395 hours remaining, 240.808594 MB of memory in use. ENERGY: 4101800 4031.4677 20497.5525 14440.7013 260.2541 -203393.2074 2681.5041 0.0000 0.0000 51882.8762 -109598.8514 298.1716 -161481.7276 -109238.7852 299.2385 -27.5565 3.5937 761659.4938 -6.4613 -6.4313 PRESSURE: 4102000 -107.935 -108.474 -39.3611 -108.474 -91.1348 -15.4109 -39.3616 -15.4114 -519.419 GPRESSURE: 4102000 -64.8161 27.9356 -52.0419 -81.8958 -101.318 32.2776 71.0299 -4.99073 -467.749 PRESSAVG: 4102000 11.1853 -10.7684 38.3087 -10.7684 -11.7347 -21.3949 38.3086 -21.3949 -7.55843 GPRESSAVG: 4102000 12.5494 -11.9831 37.4254 -9.61901 -13.2258 -21.6713 39.9908 -21.6591 -7.67237 TIMING: 4102000 CPU: 13023.5, 0.00314612/step Wall: 13023.5, 0.00314612/step, 0.784782 hours remaining, 240.808594 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: 4102000 3984.7181 20660.7952 14438.2210 247.9912 -203468.3039 2469.7796 0.0000 0.0000 52070.5460 -109596.2527 299.2501 -161666.7987 -109242.8386 299.7207 -239.4962 -211.2945 761233.9101 -2.7026 -2.7829 PRESSURE: 4102200 -201.201 158.267 -167.864 158.267 97.9014 24.7338 -167.865 24.7332 -17.6763 GPRESSURE: 4102200 -196.229 106.347 -50.1376 85.1869 142.764 33.9244 -255.297 -20.3611 -5.35414 PRESSAVG: 4102200 -11.9092 18.6623 4.52408 18.6622 9.85099 22.3543 4.52403 22.3542 13.1367 GPRESSAVG: 4102200 -13.5408 18.7614 2.93941 17.1343 11.3024 24.2923 3.61871 21.4623 13.4624 TIMING: 4102200 CPU: 13024.1, 0.0031381/step Wall: 13024.1, 0.0031381/step, 0.782607 hours remaining, 240.808594 MB of memory in use. ENERGY: 4102200 4016.1095 20715.7475 14440.8652 240.7037 -203593.0595 2612.9590 0.0000 0.0000 51780.1327 -109786.5419 297.5811 -161566.6746 -109443.3419 298.7886 -40.3251 -19.6062 760511.9436 3.6928 3.7413 PRESSURE: 4102400 71.3357 -120.121 -117.891 -120.121 412.878 15.0429 -117.892 15.0436 129.839 GPRESSURE: 4102400 89.5445 -119.5 -118.097 -125.483 419.418 -17.7552 -107.914 -112.497 176.245 PRESSAVG: 4102400 -31.7874 31.3259 -39.9088 31.3259 10.0185 -30.4298 -39.9088 -30.4298 -37.1493 GPRESSAVG: 4102400 -29.9043 34.1646 -39.3101 30.5688 9.11007 -31.8168 -41.1492 -29.8898 -38.729 TIMING: 4102400 CPU: 13024.7, 0.00310911/step Wall: 13024.7, 0.00310911/step, 0.775206 hours remaining, 240.808594 MB of memory in use. ENERGY: 4102400 3987.4905 20503.5354 14455.1346 249.7275 -203642.8471 2674.8660 0.0000 0.0000 52011.2098 -109760.8832 298.9091 -161772.0930 -109396.6453 298.4952 204.6842 228.4025 759918.4562 -19.6394 -19.8411 PRESSURE: 4102600 -245.575 -254.144 -15.2107 -254.144 -51.3814 -50.7136 -15.2102 -50.7127 187.688 GPRESSURE: 4102600 -154.068 -119.595 -60.5607 -216.708 17.4051 -64.1559 27.4373 -6.92924 126.774 PRESSAVG: 4102600 2.56861 -26.1204 34.7253 -26.1203 13.2332 -13.3541 34.7254 -13.3541 28.2074 GPRESSAVG: 4102600 0.512829 -26.2545 33.6951 -26.7276 14.6863 -12.6171 38.0686 -13.2009 28.5028 TIMING: 4102600 CPU: 13025.3, 0.0030978/step Wall: 13025.3, 0.0030978/step, 0.772212 hours remaining, 240.808594 MB of memory in use. ENERGY: 4102600 3956.7403 20538.5942 14494.0821 239.6592 -204206.9396 2906.5904 0.0000 0.0000 52259.6576 -109811.6158 300.3370 -162071.2734 -109447.2196 299.2138 -36.4230 -3.2962 761183.2948 14.6697 14.5673 PRESSURE: 4102800 113.169 -250.265 136.019 -250.265 105.5 95.5823 136.02 95.5815 231.657 GPRESSURE: 4102800 168.37 -249.761 149.046 -135.197 91.1602 42.0714 131.893 30.9622 269.841 PRESSAVG: 4102800 7.22141 25.3743 -11.2974 25.3743 0.40779 7.41975 -11.2974 7.41975 -7.25504 GPRESSAVG: 4102800 6.21552 25.6071 -9.69078 26.7307 0.295911 6.4399 -14.7593 8.77371 -6.09618 TIMING: 4102800 CPU: 13026, 0.00312741/step Wall: 13026, 0.00312741/step, 0.77942 hours remaining, 240.808594 MB of memory in use. ENERGY: 4102800 3939.0713 20514.8288 14433.0551 243.5155 -203542.7828 2461.9832 0.0000 0.0000 52142.4764 -109807.8525 299.6635 -161950.3289 -109441.4311 298.9864 150.1089 176.4568 760857.1054 0.1247 0.1384 PRESSURE: 4103000 -203.448 5.91457 -64.8804 5.91542 138.793 167.938 -64.8808 167.938 -32.7229 GPRESSURE: 4103000 -222.792 -61.059 -36.6158 -28.5856 202.503 168.305 -83.0067 -31.7539 15.398 PRESSAVG: 4103000 53.8662 21.7204 20.8313 21.7204 -38.8473 12.171 20.8313 12.1709 -10.1857 GPRESSAVG: 4103000 55.4946 19.5329 19.1294 22.3917 -38.1915 13.2565 21.3338 8.55526 -11.6989 TIMING: 4103000 CPU: 13026.6, 0.0031207/step Wall: 13026.6, 0.0031207/step, 0.777574 hours remaining, 240.808594 MB of memory in use. ENERGY: 4103000 3933.6078 20535.7717 14416.8721 241.9584 -203469.7617 2403.8479 0.0000 0.0000 52101.2577 -109836.4461 299.4266 -161937.7038 -109472.9145 298.6877 -32.4593 -1.6302 760715.7792 1.6111 1.8681 PRESSURE: 4103200 -68.5497 41.2149 -287.694 41.2154 -323.417 -69.5992 -287.693 -69.5998 118.581 GPRESSURE: 4103200 -79.7911 86.9754 -339.395 50.3234 -204.383 -160.156 -140.457 10.1583 109.177 PRESSAVG: 4103200 13.6107 -41.1909 13.5928 -41.1909 -2.86738 -10.1349 13.5928 -10.1349 32.1165 GPRESSAVG: 4103200 11.5337 -41.32 13.2276 -42.9991 -1.84113 -11.4873 12.7319 -8.91559 33.2101 TIMING: 4103200 CPU: 13027.2, 0.0031401/step Wall: 13027.2, 0.0031401/step, 0.782235 hours remaining, 240.808594 MB of memory in use. ENERGY: 4103200 4002.1748 20395.6941 14451.5272 274.2840 -203487.1525 2668.4060 0.0000 0.0000 51894.0580 -109801.0084 298.2359 -161695.0664 -109441.0688 298.5223 -91.1286 -58.3324 761740.8099 14.2866 14.3009 PRESSURE: 4103400 -57.1407 61.5337 123.82 61.5339 104.34 95.5438 123.819 95.5444 230.865 GPRESSURE: 4103400 -20.3639 52.2888 3.92672 -55.2838 209.231 192.476 92.7916 95.3004 183.711 PRESSAVG: 4103400 -31.3824 -20.0605 -25.3937 -20.0605 5.1127 -0.61991 -25.3937 -0.619897 -30.0571 GPRESSAVG: 4103400 -29.2676 -21.3814 -25.917 -17.2789 3.94055 0.944055 -23.8518 1.00196 -31.6726 TIMING: 4103400 CPU: 13027.8, 0.00313406/step Wall: 13027.8, 0.00313406/step, 0.780554 hours remaining, 240.808594 MB of memory in use. ENERGY: 4103400 3859.4460 20445.3067 14457.4184 258.3786 -203583.9791 2798.5688 0.0000 0.0000 52139.5805 -109625.2800 299.6469 -161764.8605 -109259.4932 299.2203 92.6880 124.1930 762545.2077 -18.7756 -18.9999 PRESSURE: 4103600 -95.3806 157.362 -16.4739 157.362 -97.1564 48.1403 -16.4741 48.1407 135.837 GPRESSURE: 4103600 -11.3161 149.307 25.9611 171.303 -48.9713 70.0873 61.1779 53.5878 104.113 PRESSAVG: 4103600 52.7254 21.3386 28.8136 21.3386 -41.0022 1.80181 28.8137 1.80176 12.3659 GPRESSAVG: 4103600 52.0188 23.632 29.5969 19.5631 -41.6738 1.22476 27.9015 3.01769 13.9415 TIMING: 4103600 CPU: 13028.5, 0.00314628/step Wall: 13028.5, 0.00314628/step, 0.783423 hours remaining, 240.808594 MB of memory in use. ENERGY: 4103600 3979.9490 20417.4229 14489.9035 242.8430 -203133.8107 2414.0831 0.0000 0.0000 52257.4498 -109332.1594 300.3243 -161589.6091 -108959.7867 299.7389 -18.9001 14.6086 761690.1664 8.0297 8.0955 PRESSURE: 4103800 -190.121 9.65578 96.5895 9.65494 -371.237 -97.2929 96.59 -97.2933 -529.784 GPRESSURE: 4103800 -172.001 63.4576 125.517 -102.274 -279.974 -167.894 36.4863 -163.407 -553.903 PRESSAVG: 4103800 47.5318 10.2053 2.96851 10.2054 -41.8461 -23.0488 2.96845 -23.0488 -11.2058 GPRESSAVG: 4103800 48.9949 10.7041 2.95676 10.6672 -43.1933 -23.5197 4.07719 -24.3141 -11.2256 TIMING: 4103800 CPU: 13029.1, 0.00312234/step Wall: 13029.1, 0.00312234/step, 0.77729 hours remaining, 240.808594 MB of memory in use. ENERGY: 4103800 4050.5255 20465.5495 14439.3039 249.8118 -203319.1208 2337.3724 0.0000 0.0000 52212.5078 -109564.0499 300.0660 -161776.5578 -109201.3900 299.7449 -363.7143 -335.2924 760982.1819 -1.8400 -1.8080 PRESSURE: 4104000 -41.545 178.951 37.1008 178.952 179.284 167.56 37.1008 167.559 -48.4769 GPRESSURE: 4104000 -42.204 147.017 81.7276 131.302 182.505 213.845 -50.1748 149.243 29.2164 PRESSAVG: 4104000 7.5934 -27.2094 20.7887 -27.2094 11.1249 22.8537 20.7887 22.8538 -9.58272 GPRESSAVG: 4104000 6.43377 -26.2084 19.9378 -28.509 13.5018 22.5 22.3621 24.0701 -10.5328 TIMING: 4104000 CPU: 13029.7, 0.00313058/step Wall: 13029.7, 0.00313058/step, 0.779167 hours remaining, 240.808594 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: 4104000 4044.1213 20563.3410 14383.7054 255.8459 -203113.7762 2348.7468 0.0000 0.0000 51906.4958 -109611.5200 298.3073 -161518.0158 -109256.0429 299.2763 29.7541 56.5060 761628.9588 3.0452 3.1343 PRESSURE: 4104200 148.02 -0.656329 194.509 -0.656356 25.6897 -183.01 194.508 -183.01 135.296 GPRESSURE: 4104200 142.254 30.3434 200.218 9.3617 45.8796 -165.708 232.843 -148.923 215.008 PRESSAVG: 4104200 28.4272 80.1245 -8.13535 80.1245 -13.5872 19.9898 -8.13541 19.9898 15.4666 GPRESSAVG: 4104200 27.0928 78.3716 -7.1497 80.857 -13.745 19.9987 -8.24902 18.8555 16.4901 TIMING: 4104200 CPU: 13030.4, 0.00313285/step Wall: 13030.4, 0.00313285/step, 0.779558 hours remaining, 240.808594 MB of memory in use. ENERGY: 4104200 4025.3861 20446.4121 14458.1236 237.9938 -203379.1013 2619.4486 0.0000 0.0000 51987.0537 -109604.6835 298.7703 -161591.7371 -109233.2556 299.0363 103.0019 134.3805 759608.5962 10.1022 9.9459 LDB: ============= START OF LOAD BALANCING ============== 13042.8 LDB: ============== END OF LOAD BALANCING =============== 13042.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13042.8 LDB: ============= START OF LOAD BALANCING ============== 13043.1 LDB: Largest compute 7037 load 0.035361 is 18.1% of average load 0.195366 LDB: Average compute 0.004411 is 2.3% of average load 0.195366 LDB: TIME 13043.1 LOAD: AVG 0.195366 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 13043.1 LOAD: AVG 0.195366 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.188 MB LDB: TIME 13043.1 LOAD: AVG 0.195366 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.188 MB LDB: ============== END OF LOAD BALANCING =============== 13043.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13043.1 PRESSURE: 4104400 -210.353 51.7334 -51.5263 51.7333 -594.012 -63.9156 -51.5258 -63.9154 -300.204 GPRESSURE: 4104400 -203.151 42.4207 -56.7038 -59.0982 -597.662 -140.36 -37.6698 73.0418 -230.568 PRESSAVG: 4104400 -21.795 41.6772 -16.1919 41.6772 -6.12924 -15.3623 -16.1919 -15.3623 1.35836 GPRESSAVG: 4104400 -20.3469 41.3134 -16.2931 42.9044 -7.17619 -14.4931 -17.1604 -13.7579 0.490265 TIMING: 4104400 CPU: 13031, 0.00321213/step Wall: 13031, 0.00321213/step, 0.799106 hours remaining, 240.664062 MB of memory in use. ENERGY: 4104400 4053.3854 20549.3899 14427.4149 239.9362 -202868.0797 2277.8057 0.0000 0.0000 51774.1062 -109546.0413 297.5465 -161320.1475 -109184.7830 299.2520 -368.1897 -343.7939 761450.9560 -8.8553 -9.0110 PRESSURE: 4104600 267.555 -26.9168 -67.6093 -26.9179 -185.761 148.521 -67.6098 148.522 122.647 GPRESSURE: 4104600 257.7 -34.0469 -47.21 25.4019 -47.6834 87.8466 -94.8473 98.9771 90.1417 PRESSAVG: 4104600 -57.5239 -39.7261 -23.431 -39.7262 33.9135 71.9883 -23.431 71.9883 -2.20094 GPRESSAVG: 4104600 -58.7735 -38.0537 -24.9935 -39.8159 34.7833 70.0084 -22.2651 69.5972 -1.62979 TIMING: 4104600 CPU: 13031.6, 0.00313202/step Wall: 13031.6, 0.00313202/step, 0.779002 hours remaining, 240.664062 MB of memory in use. ENERGY: 4104600 3993.8449 20671.3213 14487.7607 242.7810 -203653.1627 2671.0827 0.0000 0.0000 51956.0184 -109630.3536 298.5920 -161586.3720 -109282.4823 299.5070 68.1469 100.0527 759579.0530 -8.6038 -8.5400 PRESSURE: 4104800 -551.553 -128.729 -25.6715 -128.729 -417.532 -172.545 -25.6722 -172.544 -215.66 GPRESSURE: 4104800 -602.957 -95.2527 11.6412 -289.107 -328.126 -132.179 -42.1697 -40.0566 -182.166 PRESSAVG: 4104800 -65.1937 -21.746 -16.1101 -21.7461 53.5628 -30.6241 -16.11 -30.6241 -5.78972 GPRESSAVG: 4104800 -64.9856 -23.0391 -15.8399 -22.8897 52.9851 -28.9824 -16.6636 -29.6447 -5.05413 TIMING: 4104800 CPU: 13032.3, 0.00315566/step Wall: 13032.3, 0.00315566/step, 0.784708 hours remaining, 240.664062 MB of memory in use. ENERGY: 4104800 4007.0940 20702.6625 14488.4751 235.0745 -202953.8020 2206.7696 0.0000 0.0000 51946.4137 -109367.3125 298.5368 -161313.7263 -109002.9680 299.2768 -394.9152 -371.0827 761674.2207 -5.8069 -5.6849 PRESSURE: 4105000 -112.493 -267.719 94.8421 -267.72 156.746 114.753 94.8415 114.753 212.97 GPRESSURE: 4105000 -62.8648 -238.366 103.081 -265.946 225.994 -8.51712 9.94104 90.4447 185.187 PRESSAVG: 4105000 -30.1933 16.4367 -7.31782 16.4367 80.7369 -30.1889 -7.31783 -30.1888 -19.787 GPRESSAVG: 4105000 -29.5726 19.5869 -5.78442 15.7288 80.8917 -29.8397 -7.90764 -31.1878 -20.6864 TIMING: 4105000 CPU: 13032.9, 0.00315817/step Wall: 13032.9, 0.00315817/step, 0.785157 hours remaining, 240.664062 MB of memory in use. ENERGY: 4105000 3941.6799 20347.6538 14479.4942 231.9795 -203394.7189 2693.8019 0.0000 0.0000 52137.4011 -109562.7085 299.6344 -161700.1096 -109193.5240 299.2952 85.7409 116.1057 759420.2744 10.2522 10.2109 PRESSURE: 4105200 -50.5771 8.43367 64.7692 8.4337 262.768 -49.5132 64.7702 -49.5118 -301.646 GPRESSURE: 4105200 103.77 -81.6787 47.8383 -0.17666 165.432 -97.9925 43.8535 155.067 -294.245 PRESSAVG: 4105200 -52.3132 -12.2487 12.0448 -12.2487 61.1513 30.0992 12.0448 30.0991 11.9082 GPRESSAVG: 4105200 -53.1772 -15.1064 9.7766 -10.8898 61.8246 28.4481 11.4877 31.7607 11.7107 TIMING: 4105200 CPU: 13033.5, 0.00312329/step Wall: 13033.5, 0.00312329/step, 0.77631 hours remaining, 240.664062 MB of memory in use. ENERGY: 4105200 4049.4529 20641.1155 14475.9498 237.7843 -203313.6916 2422.1165 0.0000 0.0000 52110.9190 -109376.3536 299.4822 -161487.2726 -109013.5581 299.5415 -29.8182 -8.3477 759315.4064 6.9154 6.7860 PRESSURE: 4105400 12.9312 -130.942 18.4453 -130.942 -43.2905 -56.3698 18.445 -56.3706 98.2494 GPRESSURE: 4105400 15.0943 -96.5769 -58.4436 -103.703 71.2196 -38.1644 25.7877 -138.827 62.661 PRESSAVG: 4105400 -55.1909 -19.1507 12.807 -19.1507 38.0892 -23.2497 12.807 -23.2498 10.2019 GPRESSAVG: 4105400 -55.756 -19.1874 13.292 -19.6573 38.3458 -21.5 13.578 -25.8725 10.2902 TIMING: 4105400 CPU: 13034.1, 0.00311904/step Wall: 13034.1, 0.00311904/step, 0.775081 hours remaining, 240.664062 MB of memory in use. ENERGY: 4105400 4091.7974 20586.5956 14449.8474 229.8856 -203213.3347 2327.4947 0.0000 0.0000 52002.8478 -109524.8662 298.8611 -161527.7140 -109158.0806 299.1410 22.6300 49.6583 760693.2838 -2.2999 -2.3733 PRESSURE: 4105600 29.3473 85.4985 -151.863 85.4982 -94.09 198.898 -151.864 198.897 -188.238 GPRESSURE: 4105600 1.63604 3.92332 -57.2214 124.579 -2.61639 273.941 -73.9545 92.797 -183.863 PRESSAVG: 4105600 -20.1122 -22.5015 -50.6039 -22.5015 4.52833 57.0997 -50.6039 57.0997 -6.30418 GPRESSAVG: 4105600 -20.2788 -21.9756 -49.6886 -23.0151 4.12835 57.2637 -52.3927 57.4174 -5.62884 TIMING: 4105600 CPU: 13034.8, 0.00313166/step Wall: 13034.8, 0.00313166/step, 0.778043 hours remaining, 240.664062 MB of memory in use. ENERGY: 4105600 3979.9092 20819.0567 14437.9966 241.3396 -203585.4173 2499.3009 0.0000 0.0000 52148.3015 -109459.5128 299.6970 -161607.8144 -109090.9821 299.5432 -84.3271 -61.6145 760347.7528 -7.2960 -7.2598 PRESSURE: 4105800 -182.97 128.029 -16.8566 128.029 -189.164 -96.3262 -16.8566 -96.3275 -448.137 GPRESSURE: 4105800 -89.1683 146.826 -42.0165 205.197 -118.905 -116.193 19.7831 18.3691 -522.338 PRESSAVG: 4105800 -2.9969 -0.678083 9.98116 -0.678159 -3.52214 39.7601 9.9811 39.7602 -8.52788 GPRESSAVG: 4105800 -1.60066 2.38985 9.28089 -0.590381 -3.43561 38.8177 12.2572 40.4712 -9.68089 TIMING: 4105800 CPU: 13035.4, 0.00315113/step Wall: 13035.4, 0.00315113/step, 0.782706 hours remaining, 240.664062 MB of memory in use. ENERGY: 4105800 4049.7154 20597.9043 14418.7394 262.5912 -203201.3293 2344.3705 0.0000 0.0000 51932.8277 -109595.1810 298.4587 -161528.0086 -109232.4518 299.0780 -273.4235 -243.4704 761708.4901 -5.0156 -4.9057 PRESSURE: 4106000 -196.2 87.3148 85.3878 87.3134 0.000472016 -125.168 85.3879 -125.168 -144.215 GPRESSURE: 4106000 -113.194 7.99436 177.701 112.632 12.1762 -90.0378 -51.8253 -102.901 -145.216 PRESSAVG: 4106000 41.665 12.819 50.6904 12.819 -36.0241 37.2632 50.6904 37.2632 -27.4836 GPRESSAVG: 4106000 41.6822 9.50242 51.1504 13.0252 -36.1611 39.0865 51.9663 36.4405 -27.7376 TIMING: 4106000 CPU: 13036, 0.00314193/step Wall: 13036, 0.00314193/step, 0.780246 hours remaining, 240.664062 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: 4106000 4002.6391 20504.8522 14495.2877 260.6889 -203357.1664 2485.7461 0.0000 0.0000 52176.9613 -109430.9911 299.8617 -161607.9524 -109065.5485 299.4307 -113.4713 -82.0782 760605.9566 -7.2809 -7.4055 PRESSURE: 4106200 -131.312 147.311 86.9015 147.311 -162.879 -131.018 86.901 -131.018 220.468 GPRESSURE: 4106200 -101.023 86.996 -5.2335 130.341 -102.956 -99.4803 76.1507 -129.726 220.887 PRESSAVG: 4106200 5.94457 -4.95 38.3732 -4.94998 -4.89252 77.8569 38.3732 77.857 13.5704 GPRESSAVG: 4106200 5.43886 -1.91724 36.6123 -5.32667 -4.6789 74.9895 36.5368 79.02 14.3167 TIMING: 4106200 CPU: 13036.6, 0.00315418/step Wall: 13036.6, 0.00315418/step, 0.783114 hours remaining, 240.664062 MB of memory in use. ENERGY: 4106200 3928.9263 20546.3931 14438.2729 247.4711 -203298.1815 2333.9197 0.0000 0.0000 52387.4662 -109415.7322 301.0715 -161803.1984 -109038.2268 299.9789 -24.5743 5.6360 761603.8961 4.8741 5.0256 PRESSURE: 4106400 229.094 -95.5418 -210.876 -95.5403 -242.297 96.4937 -210.876 96.4926 -541.513 GPRESSURE: 4106400 166.84 67.7817 -114.351 -105.359 -165.074 44.8777 -233.3 44.7514 -485.013 PRESSAVG: 4106400 -32.6562 18.6101 -9.75842 18.6101 62.6307 2.35647 -9.75844 2.35645 8.86374 GPRESSAVG: 4106400 -32.6477 17.9228 -9.21667 18.2493 62.6111 4.25351 -9.31143 2.3077 8.75106 TIMING: 4106400 CPU: 13037.3, 0.00313971/step Wall: 13037.3, 0.00313971/step, 0.779346 hours remaining, 240.664062 MB of memory in use. ENERGY: 4106400 4052.7878 20824.0530 14435.2303 252.2096 -203001.6554 2159.2797 0.0000 0.0000 51957.1351 -109320.9600 298.5984 -161278.0951 -108951.9197 299.7239 -184.9051 -161.0823 761938.7880 12.9461 12.9048 PRESSURE: 4106600 35.0839 -12.9654 143.998 -12.9658 -37.6305 95.7764 143.998 95.7754 -213.513 GPRESSURE: 4106600 164.254 28.2643 167.544 52.2719 -58.0018 43.9853 123.429 149.01 -247.64 PRESSAVG: 4106600 17.6227 -28.2771 9.8439 -28.277 14.595 43.0773 9.84388 43.0773 -13.3119 GPRESSAVG: 4106600 17.9289 -27.8432 12.8528 -27.3943 14.8978 42.7832 7.85581 41.3066 -14.1333 TIMING: 4106600 CPU: 13037.9, 0.00314816/step Wall: 13037.9, 0.00314816/step, 0.781268 hours remaining, 240.664062 MB of memory in use. ENERGY: 4106600 4086.4160 20707.7179 14526.8464 233.6851 -203781.0107 2643.5913 0.0000 0.0000 52260.2735 -109322.4805 300.3405 -161582.7540 -108967.4388 299.6245 -72.0200 -47.1290 761601.9383 6.3019 6.2311 PRESSURE: 4106800 -81.1587 -0.364519 41.7919 -0.36506 44.291 114.92 41.7926 114.921 200.866 GPRESSURE: 4106800 -37.6476 15.7858 15.2283 -71.153 66.7783 206.994 59.512 120.301 233.625 PRESSAVG: 4106800 13.6201 -41.1243 -13.3518 -41.1242 42.5824 18.7191 -13.3519 18.7191 -2.80071 GPRESSAVG: 4106800 13.8667 -42.3495 -15.4209 -39.0396 42.1968 17.9291 -10.6716 20.0892 -2.25453 TIMING: 4106800 CPU: 13038.5, 0.00316306/step Wall: 13038.5, 0.00316306/step, 0.784791 hours remaining, 240.664062 MB of memory in use. ENERGY: 4106800 3967.6158 20548.3230 14524.9689 262.3766 -203831.5399 2739.5975 0.0000 0.0000 52392.7177 -109395.9403 301.1017 -161788.6580 -109023.4858 299.3836 54.6661 87.5851 760970.9768 17.8006 17.9363 PRESSURE: 4107000 -353.667 -137.69 -87.9836 -137.69 -215.084 -211.449 -87.9839 -211.449 -7.00235 GPRESSURE: 4107000 -366.42 -220.37 -64.1209 -41.0397 -169.859 -216.573 -88.3401 -171.417 19.6306 PRESSAVG: 4107000 -16.5367 -22.4069 37.0235 -22.4069 -4.8913 -11.0332 37.0234 -11.0332 14.5766 GPRESSAVG: 4107000 -16.0479 -24.1656 37.7929 -22.999 -5.58946 -11.2382 38.7099 -9.57506 14.4506 TIMING: 4107000 CPU: 13039.2, 0.00317163/step Wall: 13039.2, 0.00317163/step, 0.786741 hours remaining, 240.664062 MB of memory in use. ENERGY: 4107000 3949.5423 20598.4353 14433.0536 236.5218 -203283.8861 2446.8568 0.0000 0.0000 52265.0222 -109354.4542 300.3678 -161619.4764 -108997.4675 299.7241 -191.9176 -172.2161 762696.5651 -2.2838 -2.3956 PRESSURE: 4107200 -94.1665 -136.7 4.91253 -136.7 -84.2589 31.3963 4.91214 31.3962 163.574 GPRESSURE: 4107200 -51.3724 -78.2855 -74.8719 -76.3229 -101.687 56.1208 -128.616 -180.665 210.099 PRESSAVG: 4107200 -29.4891 29.9049 12.7705 29.9048 -2.99503 9.59546 12.7705 9.59539 0.59558 GPRESSAVG: 4107200 -29.5625 31.1173 12.3914 28.7932 -2.9447 11.1704 9.6221 8.10412 0.511243 TIMING: 4107200 CPU: 13039.8, 0.00314356/step Wall: 13039.8, 0.00314356/step, 0.779603 hours remaining, 240.664062 MB of memory in use. ENERGY: 4107200 4088.1602 20565.1063 14504.2772 235.2545 -203498.2024 2646.1326 0.0000 0.0000 52343.4045 -109115.8670 300.8183 -161459.2715 -108749.0951 299.6455 -4.9506 19.0131 761733.7664 -10.6295 -10.6653 PRESSURE: 4107400 -45.3079 57.3762 150.721 57.377 79.8072 -219.025 150.721 -219.025 188.727 GPRESSURE: 4107400 -130.228 -56.225 122.525 199.898 224.103 -241.414 78.3094 -232.956 216.53 PRESSAVG: 4107400 5.5009 32.5157 10.1105 32.5158 -29.0971 22.1921 10.1105 22.1922 0.0949379 GPRESSAVG: 4107400 4.94026 32.5881 8.36995 31.3553 -29.0146 21.4521 12.6933 21.235 0.537097 TIMING: 4107400 CPU: 13040.4, 0.0031375/step Wall: 13040.4, 0.0031375/step, 0.777926 hours remaining, 240.664062 MB of memory in use. ENERGY: 4107400 3962.4075 20489.6322 14583.2038 229.7963 -203118.5012 2337.4156 0.0000 0.0000 52186.3828 -109329.6630 299.9159 -161516.0457 -108960.7648 300.1935 74.4087 103.4684 761070.7294 -7.8337 -7.8458 PRESSURE: 4107600 -121.434 -221.87 136.728 -221.87 109.195 -152.364 136.727 -152.364 -235.249 GPRESSURE: 4107600 -73.0036 -156.317 172.97 -133.381 28.9763 -172.979 93.8139 -233.086 -121.667 PRESSAVG: 4107600 -0.885718 -23.3915 -39.7919 -23.3915 40.7062 6.97632 -39.7919 6.97632 23.841 GPRESSAVG: 4107600 -1.50397 -23.3175 -39.6514 -22.9856 42.5116 6.13664 -42.3618 6.7503 22.5148 TIMING: 4107600 CPU: 13041.1, 0.00315214/step Wall: 13041.1, 0.00315214/step, 0.78138 hours remaining, 240.664062 MB of memory in use. ENERGY: 4107600 3993.8307 20678.3466 14575.8927 260.0156 -203350.0714 2501.4701 0.0000 0.0000 52011.7274 -109328.7882 298.9121 -161340.5156 -108970.0661 299.5405 -82.4960 -55.2314 760159.8759 21.2205 21.1741 PRESSURE: 4107800 -47.8677 111.493 90.6713 111.494 -74.2435 75.2334 90.6717 75.2342 -191.402 GPRESSURE: 4107800 -39.7821 2.09497 164.997 116.912 -31.8266 -9.65168 -23.1765 72.9342 -168.953 PRESSAVG: 4107800 -47.2689 -27.847 -14.0503 -27.847 58.307 17.3481 -14.0504 17.3481 -1.84053 GPRESSAVG: 4107800 -47.2265 -28.7183 -13.6066 -27.8657 57.4877 16.2026 -9.98552 18.6526 -1.15253 TIMING: 4107800 CPU: 13041.7, 0.00313775/step Wall: 13041.7, 0.00313775/step, 0.777638 hours remaining, 240.664062 MB of memory in use. ENERGY: 4107800 4019.2878 20396.8525 14455.4764 244.1904 -202991.2694 2502.5125 0.0000 0.0000 52257.3427 -109115.6071 300.3237 -161372.9498 -108741.2981 300.0685 -104.5042 -80.1871 761208.2675 3.0659 3.0362 PRESSURE: 4108000 -111.179 57.5441 -179.189 57.5446 165.008 28.9253 -179.189 28.9253 -8.12988 GPRESSURE: 4108000 -90.0401 -19.2819 -227.543 121.362 140.378 7.32305 -186.227 -4.28911 81.9923 PRESSAVG: 4108000 22.4796 -18.793 13.1991 -18.793 -62.6848 -11.3816 13.199 -11.3816 -5.65283 GPRESSAVG: 4108000 22.0422 -17.768 11.8164 -19.8708 -63.0879 -10.3054 11.5309 -11.0937 -4.52561 TIMING: 4108000 CPU: 13042.3, 0.00313312/step Wall: 13042.3, 0.00313312/step, 0.776317 hours remaining, 240.664062 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: 4108000 3921.6861 20586.3672 14487.4576 250.2951 -203095.3290 2534.3301 0.0000 0.0000 52331.0595 -108984.1334 300.7473 -161315.1929 -108630.6293 300.4056 15.2331 44.1101 762599.6830 -15.2860 -15.1904 PRESSURE: 4108200 66.0741 -38.292 -9.5101 -38.2925 -330.551 264.599 -9.50939 264.599 -257.136 GPRESSURE: 4108200 18.885 -98.6635 106.292 -64.0283 -309.365 205.65 -133.324 113.19 -158.301 PRESSAVG: 4108200 33.8391 -41.1956 6.28145 -41.1956 -21.12 27.4135 6.28148 27.4134 19.9076 GPRESSAVG: 4108200 33.9151 -43.1687 7.98529 -42.1625 -20.5999 27.4826 5.49426 26.3612 19.7445 TIMING: 4108200 CPU: 13042.9, 0.00315539/step Wall: 13042.9, 0.00315539/step, 0.78166 hours remaining, 240.664062 MB of memory in use. ENERGY: 4108200 4060.7179 20636.9222 14541.1977 229.1375 -202906.7038 2384.8274 0.0000 0.0000 52280.5279 -108773.3733 300.4569 -161053.9012 -108405.6219 300.8188 -173.8713 -149.5936 760893.3798 10.8756 11.0199 LDB: ============= START OF LOAD BALANCING ============== 13055.4 LDB: ============== END OF LOAD BALANCING =============== 13055.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13055.4 LDB: ============= START OF LOAD BALANCING ============== 13055.7 LDB: Largest compute 7056 load 0.035511 is 18.2% of average load 0.195389 LDB: Average compute 0.004417 is 2.3% of average load 0.195389 LDB: TIME 13055.7 LOAD: AVG 0.195389 MAX 0.215916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.746 MB LDB: TIME 13055.7 LOAD: AVG 0.195389 MAX 0.215916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.746 MB LDB: TIME 13055.7 LOAD: AVG 0.195389 MAX 0.215916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.746 MB LDB: ============== END OF LOAD BALANCING =============== 13055.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13055.7 PRESSURE: 4108400 -60.8287 38.5346 -126.35 38.5351 186.999 -116.04 -126.35 -116.04 82.8414 GPRESSURE: 4108400 76.8691 39.5111 -150.18 -20.6885 161.399 -145.887 -158.4 -106.687 68.8291 PRESSAVG: 4108400 -49.9643 -7.60378 0.210244 -7.60382 13.2494 19.0112 0.210285 19.0112 -3.75037 GPRESSAVG: 4108400 -48.9591 -5.84491 -1.18568 -7.12148 12.8124 17.844 0.662853 18.6391 -4.41534 TIMING: 4108400 CPU: 13043.6, 0.00320922/step Wall: 13043.6, 0.00320922/step, 0.794817 hours remaining, 240.464844 MB of memory in use. ENERGY: 4108400 4023.8060 20663.7541 14496.9015 240.8056 -203086.6663 2563.1611 0.0000 0.0000 52209.2075 -108889.0306 300.0470 -161098.2380 -108515.2498 300.6420 69.6707 102.3656 761010.3517 -13.4884 -13.5207 PRESSURE: 4108600 165.894 -124.124 -37.7092 -124.123 30.1303 -196.571 -37.7089 -196.57 148.673 GPRESSURE: 4108600 174.121 -78.0226 -16.2827 -85.4758 26.033 -156.577 -111.346 -200.636 213.737 PRESSAVG: 4108600 -38.9654 -80.2463 13.0205 -80.2463 41.9531 3.26458 13.0204 3.26457 24.4497 GPRESSAVG: 4108600 -39.3199 -79.375 14.0447 -78.6451 41.6902 4.56226 12.083 3.09386 24.9203 TIMING: 4108600 CPU: 13044.2, 0.00315285/step Wall: 13044.2, 0.00315285/step, 0.78068 hours remaining, 240.464844 MB of memory in use. ENERGY: 4108600 4029.8950 20496.6618 14507.0788 247.4084 -203379.8995 2563.9590 0.0000 0.0000 52239.0808 -109295.8158 300.2187 -161534.8966 -108942.1554 300.2077 114.8991 137.9638 761009.5787 9.1458 9.0969 PRESSURE: 4108800 24.4572 -103.594 -5.37535 -103.595 -72.6766 46.5819 -5.37504 46.5813 -1.31578 GPRESSURE: 4108800 39.8265 -47.9489 -58.5569 -143.714 6.41118 34.7523 21.1867 -127.818 -12.0175 PRESSAVG: 4108800 -8.67194 -46.6834 61.9945 -46.6834 41.9003 12.611 61.9946 12.611 -7.39118 GPRESSAVG: 4108800 -9.20257 -48.4346 62.4302 -44.7664 43.4922 10.9226 62.4444 14.4729 -8.43095 TIMING: 4108800 CPU: 13044.8, 0.00314419/step Wall: 13044.8, 0.00314419/step, 0.778362 hours remaining, 240.464844 MB of memory in use. ENERGY: 4108800 3913.2915 20469.3424 14457.1143 231.7872 -203178.3116 2492.9934 0.0000 0.0000 51865.7939 -109747.9890 298.0734 -161613.7828 -109384.9638 299.0276 -16.5117 11.4067 760587.5006 8.6124 8.6195 PRESSURE: 4109000 148.306 -41.4177 -99.7292 -41.418 -216.892 -198.898 -99.7288 -198.897 -9.36683 GPRESSURE: 4109000 170.037 -82.9103 -111.613 -38.0597 -213.828 -104.665 -103.658 -202.97 50.4183 PRESSAVG: 4109000 3.09162 -68.1299 29.6974 -68.13 7.14681 -49.2401 29.6974 -49.2401 -8.95235 GPRESSAVG: 4109000 3.83123 -68.3749 29.9017 -72.45 4.88426 -47.7055 28.941 -50.4968 -7.50378 TIMING: 4109000 CPU: 13045.5, 0.00312802/step Wall: 13045.5, 0.00312802/step, 0.774186 hours remaining, 240.464844 MB of memory in use. ENERGY: 4109000 3972.2463 20498.0149 14427.3004 273.4600 -203573.7469 2498.7594 0.0000 0.0000 52132.6523 -109771.3135 299.6071 -161903.9658 -109408.5503 298.3960 -25.9846 2.2092 760187.2671 0.4287 0.4039 PRESSURE: 4109200 -45.9501 80.045 12.1077 80.0456 -278.893 43.838 12.1066 43.8373 -81.6025 GPRESSURE: 4109200 -39.8297 -25.184 20.8296 140.328 -204.96 16.7411 -40.7248 114.594 -84.0465 PRESSAVG: 4109200 34.1115 -4.98547 14.9725 -4.98542 -44.8554 7.33056 14.9725 7.33051 6.02987 GPRESSAVG: 4109200 33.6619 -4.08955 15.2894 -6.33878 -43.9859 6.61095 17.8497 8.58672 5.42654 TIMING: 4109200 CPU: 13046.1, 0.0031476/step Wall: 13046.1, 0.0031476/step, 0.778857 hours remaining, 240.464844 MB of memory in use. ENERGY: 4109200 4059.6884 20458.2245 14472.3169 242.7821 -203224.8972 2414.4741 0.0000 0.0000 51839.7719 -109737.6392 297.9239 -161577.4111 -109369.3365 298.4621 -135.4817 -109.6120 760433.9776 -1.5714 -1.6325 PRESSURE: 4109400 -30.4544 54.4735 -18.8312 54.4734 94.1754 147.209 -18.8305 147.209 173.448 GPRESSURE: 4109400 64.4707 142.385 69.2165 14.786 119.869 99.4748 33.1615 200.109 143.284 PRESSAVG: 4109400 -45.473 29.6081 38.5903 29.608 31.7101 44.3821 38.5902 44.382 -17.4132 GPRESSAVG: 4109400 -45.4336 28.2382 38.227 33.0452 30.6336 43.0337 37.197 42.6832 -16.4975 TIMING: 4109400 CPU: 13046.7, 0.00314825/step Wall: 13046.7, 0.00314825/step, 0.778842 hours remaining, 240.464844 MB of memory in use. ENERGY: 4109400 3969.3751 20400.9399 14491.5041 261.3231 -203622.8834 2796.2553 0.0000 0.0000 51833.9214 -109869.5646 297.8903 -161703.4860 -109514.6486 298.1805 79.0563 109.2079 759261.7255 -10.3920 -10.4325 PRESSURE: 4109600 -191.152 153.356 84.2846 153.356 -141.695 49.9686 84.2853 49.9682 -540.988 GPRESSURE: 4109600 -192.015 76.3784 -94.5627 123.561 -92.3007 61.3915 125.32 -77.9523 -513.595 PRESSAVG: 4109600 -29.5156 19.7223 75.0986 19.7222 11.0756 -22.6832 75.0986 -22.6833 -20.1658 GPRESSAVG: 4109600 -30.3373 21.7179 73.6013 17.4824 11.408 -19.9707 74.1386 -22.6615 -20.3875 TIMING: 4109600 CPU: 13047.4, 0.00314858/step Wall: 13047.4, 0.00314858/step, 0.778749 hours remaining, 240.464844 MB of memory in use. ENERGY: 4109600 3992.8895 20362.9208 14501.2283 261.3655 -203172.5195 2337.8495 0.0000 0.0000 51836.9818 -109879.2840 297.9078 -161716.2658 -109509.8107 298.0545 -291.2780 -265.9703 760608.3543 -12.8686 -13.1056 PRESSURE: 4109800 17.3228 43.0829 166.126 43.0834 198.791 52.471 166.126 52.4702 313.182 GPRESSURE: 4109800 113.814 27.4163 80.6117 -108.92 255.863 100.453 140.493 3.64047 246.283 PRESSAVG: 4109800 -16.0341 -22.4636 -44.1325 -22.4636 16.2526 34.7512 -44.1325 34.7512 -15.4469 GPRESSAVG: 4109800 -16.0502 -24.0114 -43.2269 -24.0105 17.0805 31.8983 -43.7286 35.9227 -15.8837 TIMING: 4109800 CPU: 13048, 0.00314817/step Wall: 13048, 0.00314817/step, 0.778473 hours remaining, 240.464844 MB of memory in use. ENERGY: 4109800 3937.5272 20373.4393 14451.6115 233.9877 -203347.0822 2416.5940 0.0000 0.0000 52019.2751 -109914.6474 298.9555 -161933.9226 -109554.3405 298.5712 176.4319 205.3199 759531.0600 -5.0761 -4.9511 PRESSURE: 4110000 -154.059 -8.31267 7.19971 -8.31285 -393.976 -6.84468 7.19918 -6.84359 -79.4746 GPRESSURE: 4110000 -135.305 -49.5332 -16.7994 -56.1258 -346.3 -66.769 117.979 21.2834 -64.2207 PRESSAVG: 4110000 6.77276 -14.9248 36.6339 -14.9249 -9.21039 26.6037 36.6339 26.6038 -0.909687 GPRESSAVG: 4110000 6.73364 -14.9331 36.9267 -12.7212 -10.6503 27.5482 37.0402 25.9347 0.244034 TIMING: 4110000 CPU: 13048.6, 0.00315207/step Wall: 13048.6, 0.00315207/step, 0.779262 hours remaining, 240.464844 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: 4110000 3939.1519 20486.3133 14556.0902 250.4511 -203275.2087 2325.6376 0.0000 0.0000 52290.2218 -109427.3426 300.5126 -161717.5645 -109073.8007 298.8996 -209.1699 -181.9421 759993.8877 -1.1158 -1.2242 PRESSURE: 4110200 93.3242 145.793 64.1434 145.793 184.636 -25.4331 64.143 -25.4333 -388.675 GPRESSURE: 4110200 40.7321 80.4399 114.638 131.667 285.327 -93.3243 -132.265 59.3489 -370.198 PRESSAVG: 4110200 -17.5456 -0.96661 -16.443 -0.966591 50.403 6.01075 -16.4429 6.01085 -20.6306 GPRESSAVG: 4110200 -16.5221 -1.35799 -17.1123 -3.0643 50.153 7.99253 -14.2547 5.24311 -21.5979 TIMING: 4110200 CPU: 13049.3, 0.00315636/step Wall: 13049.3, 0.00315636/step, 0.780146 hours remaining, 240.464844 MB of memory in use. ENERGY: 4110200 3950.2212 20456.8454 14472.0485 257.6439 -203245.8255 2546.1728 0.0000 0.0000 52370.1009 -109192.7928 300.9717 -161562.8937 -108825.5100 299.4507 -36.9050 -14.7132 762225.9107 4.0756 4.0110 PRESSURE: 4110400 317.789 0.261078 131.097 0.261802 -382.187 -71.1817 131.098 -71.1816 395.758 GPRESSURE: 4110400 326.453 -30.1081 134.495 -32.8925 -343.216 -27.0769 81.7477 -88.4129 423.246 PRESSAVG: 4110400 9.39722 -3.13655 7.89056 -3.13655 4.59452 1.19279 7.8905 1.19279 -3.86649 GPRESSAVG: 4110400 7.59997 -4.81016 8.02891 -1.68411 5.65856 1.0464 4.96417 0.0409799 -3.38138 TIMING: 4110400 CPU: 13049.9, 0.00314212/step Wall: 13049.9, 0.00314212/step, 0.776453 hours remaining, 240.464844 MB of memory in use. ENERGY: 4110400 4047.8143 20610.8347 14465.1972 255.4373 -203031.9373 2311.0175 0.0000 0.0000 52197.2551 -109144.3812 299.9783 -161341.6363 -108788.1582 300.1688 110.4531 135.4944 760786.0834 3.3751 3.2924 PRESSURE: 4110600 -33.9444 155.966 26.1762 155.965 -60.1408 -212.647 26.1761 -212.646 -168.821 GPRESSURE: 4110600 31.0445 113.849 78.6685 163.155 -53.853 -75.0657 107.772 -182.664 -164.168 PRESSAVG: 4110600 -30.7596 -26.9944 27.7392 -26.9944 1.49783 -3.69529 27.7392 -3.69531 -0.386152 GPRESSAVG: 4110600 -28.6609 -24.2772 28.5174 -27.3595 -0.243802 -2.81674 29.1819 -1.99602 -0.618192 TIMING: 4110600 CPU: 13050.5, 0.00313809/step Wall: 13050.5, 0.00313809/step, 0.775283 hours remaining, 240.464844 MB of memory in use. ENERGY: 4110600 3979.3741 20484.3744 14445.4510 247.5423 -203106.2183 2519.5131 0.0000 0.0000 52172.4334 -109257.5301 299.8357 -161429.9635 -108900.0034 300.0572 -87.6353 -62.3254 760984.5069 -9.8826 -9.8410 PRESSURE: 4110800 154.465 134.47 -26.7058 134.471 -96.947 -82.574 -26.7057 -82.5749 -145.004 GPRESSURE: 4110800 73.9252 279.152 -34.5323 223.047 20.1158 -143.897 21.8397 -235.941 -100.905 PRESSAVG: 4110800 19.624 15.9273 -4.79529 15.9273 -5.34589 -14.9168 -4.79527 -14.9168 2.95876 GPRESSAVG: 4110800 18.8705 15.1117 -4.38962 17.3681 -3.77168 -17.4159 -4.2092 -16.1847 2.29036 TIMING: 4110800 CPU: 13051.1, 0.00312985/step Wall: 13051.1, 0.00312985/step, 0.773072 hours remaining, 240.464844 MB of memory in use. ENERGY: 4110800 3984.6917 20498.8815 14437.2824 238.7718 -202863.8956 2351.7226 0.0000 0.0000 51886.4381 -109466.1076 298.1921 -161352.5457 -109118.4054 299.5365 -29.1620 -2.2879 761875.4275 5.7456 5.7964 PRESSURE: 4111000 -462.944 27.3841 367.137 27.3844 16.0921 81.9592 367.138 81.9597 -217.249 GPRESSURE: 4111000 -396.521 -112.342 273.646 117.301 36.9111 148.624 235.898 95.8845 -214.517 PRESSAVG: 4111000 -26.0924 11.5736 19.3817 11.5736 23.4568 54.3613 19.3818 54.3613 16.521 GPRESSAVG: 4111000 -26.4193 12.0211 19.7653 10.7548 23.1886 54.762 19.2729 55.2747 16.9983 TIMING: 4111000 CPU: 13051.8, 0.00312955/step Wall: 13051.8, 0.00312955/step, 0.772825 hours remaining, 240.464844 MB of memory in use. ENERGY: 4111000 3958.1621 20613.8540 14373.5255 246.2054 -202952.5292 2304.6352 0.0000 0.0000 52031.2221 -109424.9248 299.0241 -161456.1469 -109064.2989 299.3553 -221.3670 -191.3754 760998.5498 4.6285 4.5892 PRESSURE: 4111200 86.7031 -73.864 -203.275 -73.864 269.451 -308.387 -203.275 -308.388 387.507 GPRESSURE: 4111200 240.822 -18.7708 -85.1329 -37.5994 209.075 -334.381 -126.02 -264.434 379.049 PRESSAVG: 4111200 19.7123 -3.34642 -28.1669 -3.34644 -18.1484 -70.8448 -28.1668 -70.8448 -9.03706 GPRESSAVG: 4111200 20.4778 -2.7217 -28.3343 -3.15873 -18.4342 -71.1215 -28.6805 -69.8598 -9.25869 TIMING: 4111200 CPU: 13052.4, 0.00313335/step Wall: 13052.4, 0.00313336/step, 0.773591 hours remaining, 240.464844 MB of memory in use. ENERGY: 4111200 3974.2213 20573.8169 14369.3722 250.4024 -203700.9447 2867.5498 0.0000 0.0000 52313.0149 -109352.5672 300.6436 -161665.5821 -108993.7766 299.5898 247.8870 276.3154 758447.0757 -2.4911 -2.4050 PRESSURE: 4111400 133.092 -38.3096 -47.6011 -38.3086 6.81542 -148.045 -47.6011 -148.045 132.23 GPRESSURE: 4111400 180.639 -29.2291 -97.6526 106.06 4.8244 -130.377 108.4 -105.027 173.917 PRESSAVG: 4111400 30.7171 -0.967902 -33.262 -0.96804 5.0367 -17.6298 -33.262 -17.6298 -20.8994 GPRESSAVG: 4111400 30.3508 -2.72557 -32.5406 -0.548923 6.19454 -17.804 -34.2017 -18.7271 -21.8221 TIMING: 4111400 CPU: 13053, 0.00314382/step Wall: 13053, 0.00314382/step, 0.776001 hours remaining, 240.464844 MB of memory in use. ENERGY: 4111400 3999.9908 20638.6279 14426.6841 215.3285 -203678.1984 2705.2558 0.0000 0.0000 52154.9620 -109537.3493 299.7353 -161692.3113 -109182.5777 299.6437 90.7124 119.7934 760132.8809 4.9515 4.9078 PRESSURE: 4111600 -98.0743 323.243 86.6216 323.243 143.231 -6.66172 86.6211 -6.6609 319.151 GPRESSURE: 4111600 -13.1463 317.036 125.573 259.943 130.72 28.3882 102.587 66.8189 349.043 PRESSAVG: 4111600 21.8395 21.6002 35.6546 21.6001 -14.0663 -22.7949 35.6545 -22.7949 -33.4084 GPRESSAVG: 4111600 23.3184 23.2945 34.1117 19.0156 -15.5587 -19.9026 37.1439 -22.8578 -33.0798 TIMING: 4111600 CPU: 13053.7, 0.00316966/step Wall: 13053.7, 0.00316966/step, 0.782202 hours remaining, 240.464844 MB of memory in use. ENERGY: 4111600 3918.6754 20512.4452 14474.2893 248.1003 -203626.6457 2632.4209 0.0000 0.0000 52201.5734 -109639.1413 300.0032 -161840.7147 -109274.5869 299.9560 121.4358 155.5390 759945.2526 -8.5451 -8.4401 PRESSURE: 4111800 85.4884 50.0298 -99.7926 50.0299 104.664 -164.618 -99.7922 -164.616 161.942 GPRESSURE: 4111800 205.828 51.3142 -64.7894 -1.74201 46.8401 -166.329 -118.511 -88.3042 185.837 PRESSAVG: 4111800 48.749 -4.45068 33.186 -4.45066 -30.5439 7.16399 33.186 7.16405 25.2704 GPRESSAVG: 4111800 47.3053 -4.52314 34.4938 -1.62172 -29.5858 4.39323 31.7978 6.97191 25.2965 TIMING: 4111800 CPU: 13054.3, 0.0031594/step Wall: 13054.3, 0.0031594/step, 0.779495 hours remaining, 240.464844 MB of memory in use. ENERGY: 4111800 3982.5926 20466.0466 14539.8188 257.7677 -203225.3979 2416.5016 0.0000 0.0000 51974.7442 -109587.9265 298.6996 -161562.6706 -109222.3928 299.6502 117.3647 146.1683 759953.2093 14.4918 14.3387 PRESSURE: 4112000 -286.058 110.092 -228.724 110.091 -139.765 60.3436 -228.724 60.3427 -227.158 GPRESSURE: 4112000 -272.731 83.752 -177.479 131.861 -93.0162 68.3594 -313.554 100.681 -187.649 PRESSAVG: 4112000 4.61194 26.2675 -24.1382 26.2675 -29.7777 -2.23133 -24.1382 -2.23129 36.4395 GPRESSAVG: 4112000 3.63713 26.944 -26.1619 23.6047 -29.3742 -1.53021 -22.5489 -1.18851 36.8832 TIMING: 4112000 CPU: 13054.9, 0.00315243/step Wall: 13054.9, 0.00315243/step, 0.777599 hours remaining, 240.464844 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: 4112000 3988.5851 20430.6295 14467.1473 247.0839 -203453.5617 2599.0865 0.0000 0.0000 52283.6501 -109437.3793 300.4749 -161721.0294 -109069.2805 299.0096 -217.6605 -184.4655 760135.2915 3.7579 3.7154 PRESSURE: 4112200 207.044 -156.733 -69.8002 -156.733 -233.907 122.458 -69.8011 122.459 -159.595 GPRESSURE: 4112200 146.099 -144.746 -4.6937 -117.397 -180.001 136.267 -64.9351 57.4385 -83.5028 PRESSAVG: 4112200 7.64418 9.91575 -7.05888 9.91572 -21.0707 23.4717 -7.05885 23.4716 -29.4005 GPRESSAVG: 4112200 7.49614 10.7852 -7.32499 10.703 -21.1188 24.758 -7.52734 23.5342 -29.5033 TIMING: 4112200 CPU: 13055.5, 0.00314764/step Wall: 13055.5, 0.00314764/step, 0.776242 hours remaining, 240.464844 MB of memory in use. ENERGY: 4112200 4098.6090 20560.3429 14481.4667 234.5212 -203439.3811 2575.4203 0.0000 0.0000 52082.9359 -109406.0852 299.3213 -161489.0211 -109047.1596 299.9730 -62.1526 -39.1349 761731.6970 -14.2756 -14.3753 LDB: ============= START OF LOAD BALANCING ============== 13068 LDB: ============== END OF LOAD BALANCING =============== 13068 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13068 LDB: ============= START OF LOAD BALANCING ============== 13068.3 LDB: Largest compute 7077 load 0.032953 is 16.9% of average load 0.195323 LDB: Average compute 0.004400 is 2.3% of average load 0.195323 LDB: TIME 13068.3 LOAD: AVG 0.195323 MAX 0.217289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 13068.3 LOAD: AVG 0.195323 MAX 0.217289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: TIME 13068.3 LOAD: AVG 0.195323 MAX 0.217289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: ============== END OF LOAD BALANCING =============== 13068.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13068.3 PRESSURE: 4112400 -298.603 54.5602 -78.5054 54.5599 -489.988 49.7266 -78.5045 49.7269 -159.104 GPRESSURE: 4112400 -239.059 24.9164 -66.594 44.3229 -468.994 13.8411 -137.642 40.368 -159.894 PRESSAVG: 4112400 45.4026 -7.28084 -33.558 -7.28084 27.3266 8.83594 -33.5581 8.83589 -4.82798 GPRESSAVG: 4112400 46.5776 -9.0861 -33.8827 -3.23262 27.4977 7.197 -34.7253 7.56704 -6.24106 TIMING: 4112400 CPU: 13056.2, 0.00321215/step Wall: 13056.2, 0.00321215/step, 0.791974 hours remaining, 240.808594 MB of memory in use. ENERGY: 4112400 4003.9979 20688.9191 14489.9083 234.9534 -203186.5039 2295.2295 0.0000 0.0000 52099.6051 -109373.8906 299.4171 -161473.4958 -109011.0710 299.7744 -315.8983 -289.3157 760637.4210 22.6337 22.6114 PRESSURE: 4112600 37.5905 -122.101 -176.923 -122.102 121.15 19.5568 -176.924 19.5569 -178.005 GPRESSURE: 4112600 81.9623 -147.935 -143.149 -176.922 148.809 44.1516 -151.708 90.7533 -141.19 PRESSAVG: 4112600 -19.0332 -14.3932 6.87833 -14.3933 17.1039 63.2803 6.87823 63.2804 -3.84131 GPRESSAVG: 4112600 -19.791 -13.9218 8.88947 -15.5966 18.1231 63.401 7.68671 65.8139 -3.9969 TIMING: 4112600 CPU: 13056.8, 0.00315492/step Wall: 13056.8, 0.00315492/step, 0.777687 hours remaining, 240.808594 MB of memory in use. ENERGY: 4112600 4070.4155 20561.4212 14456.6667 260.4611 -203364.3321 2561.7680 0.0000 0.0000 52076.6208 -109376.9788 299.2851 -161453.5995 -109019.6029 300.2141 -6.4214 29.8604 759159.7976 -1.9235 -1.8883 PRESSURE: 4112800 180.024 -171.675 -78.88 -171.676 -55.8353 10.3513 -78.8799 10.3511 244.701 GPRESSURE: 4112800 176.831 -138.381 51.517 12.0673 56.1892 -20.977 -0.411566 -120.765 220.287 PRESSAVG: 4112800 -16.4757 -42.0428 11.1048 -42.0428 -5.61668 32.9645 11.1048 32.9645 1.4554 GPRESSAVG: 4112800 -15.4894 -43.1289 10.4414 -41.5684 -7.55519 32.4607 12.193 30.3867 2.35894 TIMING: 4112800 CPU: 13057.4, 0.00314498/step Wall: 13057.4, 0.00314498/step, 0.775063 hours remaining, 240.808594 MB of memory in use. ENERGY: 4112800 4103.4068 20564.5720 14455.5208 233.4433 -203734.1544 2878.5612 0.0000 0.0000 52036.5612 -109462.0891 299.0548 -161498.6503 -109103.0378 299.8911 122.9632 151.1025 760623.9463 -6.8790 -6.8952 PRESSURE: 4113000 207.215 -72.3452 12.9692 -72.3447 93.3138 -59.0004 12.9694 -59.0016 335.137 GPRESSURE: 4113000 209.422 15.3611 21.5587 -111.634 169.428 -13.1303 42.2963 6.89776 343.713 PRESSAVG: 4113000 6.28519 -34.8515 25.931 -34.8515 -13.9895 1.61885 25.931 1.61882 -13.057 GPRESSAVG: 4113000 6.87296 -33.9522 25.691 -36.961 -14.3357 4.30795 25.3156 2.18393 -13.4597 TIMING: 4113000 CPU: 13058.1, 0.00316064/step Wall: 13058.1, 0.00316064/step, 0.778747 hours remaining, 240.808594 MB of memory in use. ENERGY: 4113000 4004.6514 20681.8998 14382.8247 249.7014 -203442.0510 2611.3417 0.0000 0.0000 52028.0105 -109483.6215 299.0057 -161511.6320 -109129.4982 299.0606 211.8888 240.8546 758389.8110 -6.9204 -6.9741 PRESSURE: 4113200 -17.439 -85.9902 -177.668 -85.9904 46.906 -133.628 -177.667 -133.629 -304.859 GPRESSURE: 4113200 -39.4336 -14.5214 -116.839 -65.7529 101.086 -202.048 -104.892 -47.6027 -232.692 PRESSAVG: 4113200 41.6191 -19.5107 -71.8415 -19.5108 -63.1527 33.516 -71.8414 33.516 -7.77152 GPRESSAVG: 4113200 39.787 -19.2502 -73.9713 -19.279 -61.9051 30.5929 -69.3296 33.4113 -7.36904 TIMING: 4113200 CPU: 13058.7, 0.00311909/step Wall: 13058.7, 0.00311909/step, 0.768337 hours remaining, 240.808594 MB of memory in use. ENERGY: 4113200 3966.1727 20506.9126 14390.9574 229.2174 -203307.5486 2433.9636 0.0000 0.0000 52297.8459 -109482.4790 300.5564 -161780.3249 -109116.6762 299.3940 -91.7974 -57.0132 760647.5625 -9.7684 -9.8291 PRESSURE: 4113400 -60.055 -141.301 237.322 -141.301 -265.124 -275.059 237.321 -275.058 -270.812 GPRESSURE: 4113400 2.22985 -203.525 177.095 -85.0915 -225.73 -160.48 173.571 -129.208 -291.006 PRESSAVG: 4113400 12.3212 20.9706 63.074 20.9706 -66.5661 2.5609 63.074 2.56092 0.134406 GPRESSAVG: 4113400 13.5347 21.0193 63.4674 21.5574 -67.2551 3.87896 61.3391 3.27616 -1.00976 TIMING: 4113400 CPU: 13059.3, 0.00312733/step Wall: 13059.3, 0.00312733/step, 0.770193 hours remaining, 240.808594 MB of memory in use. ENERGY: 4113400 3977.2544 20377.9114 14502.4086 243.8162 -203165.4022 2246.4509 0.0000 0.0000 52147.9401 -109669.6205 299.6949 -161817.5606 -109292.9653 299.4676 -198.6639 -171.5019 760293.3570 -18.0368 -18.2434 PRESSURE: 4113600 192.561 -1.56688 -178.765 -1.56827 134.06 95.6563 -178.764 95.6569 -44.2929 GPRESSURE: 4113600 338.585 -171.445 -189.453 18.0337 109.206 76.6864 -64.816 55.2959 -69.6078 PRESSAVG: 4113600 70.6759 -46.1298 23.3844 -46.1298 -63.1624 -44.1917 23.3845 -44.1917 -8.44674 GPRESSAVG: 4113600 69.7843 -45.915 24.7427 -46.9979 -62.4974 -45.3534 21.5843 -43.3772 -7.9302 TIMING: 4113600 CPU: 13060, 0.00315138/step Wall: 13060, 0.00315138/step, 0.77594 hours remaining, 240.808594 MB of memory in use. ENERGY: 4113600 4002.4809 20296.6375 14461.6820 252.6909 -203313.9056 2607.9024 0.0000 0.0000 51968.3541 -109724.1577 298.6628 -161692.5118 -109375.0984 298.6404 94.1094 126.0612 759655.8728 -0.3111 -0.2144 PRESSURE: 4113800 -159.422 122.037 -11.387 122.037 201.021 223.451 -11.3862 223.451 25.4719 GPRESSURE: 4113800 -145.199 71.4842 36.6606 83.6765 271.435 142.696 98.1998 283.738 44.3017 PRESSAVG: 4113800 25.5236 53.0229 19.5381 53.023 1.36215 -7.38529 19.5382 -7.38531 44.5236 GPRESSAVG: 4113800 25.827 54.368 21.057 53.4195 0.349465 -6.80014 19.4128 -6.90817 45.1409 TIMING: 4113800 CPU: 13060.6, 0.00312589/step Wall: 13060.6, 0.00312589/step, 0.769491 hours remaining, 240.808594 MB of memory in use. ENERGY: 4113800 3926.8941 20424.8868 14424.9826 268.1852 -203038.2976 2453.0780 0.0000 0.0000 51805.4770 -109734.7939 297.7268 -161540.2709 -109379.9573 298.4068 22.3568 56.8461 759675.0904 23.8031 23.7725 PRESSURE: 4114000 -66.147 40.8861 97.4554 40.887 281.088 119.264 97.4556 119.265 -15.3573 GPRESSURE: 4114000 -18.6394 -3.96789 251.844 134.934 319.192 112.868 36.6964 74.9148 -11.9805 PRESSAVG: 4114000 25.4727 -10.3317 63.9942 -10.3317 -3.52096 19.0171 63.9943 19.0171 -2.63648 GPRESSAVG: 4114000 24.9045 -12.0804 62.985 -9.40102 -2.72905 19.502 65.4759 16.9079 -2.36933 TIMING: 4114000 CPU: 13061.2, 0.00313574/step Wall: 13061.2, 0.00313574/step, 0.77174 hours remaining, 240.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 4004.3921 20490.0548 14363.2437 239.1389 -203101.1813 2392.5213 0.0000 0.0000 52245.4808 -109366.3498 300.2555 -161611.8306 -109013.5490 298.9629 66.5277 96.1907 760352.4497 6.4384 6.6020 PRESSURE: 4114200 13.6666 -129.519 267.534 -129.52 39.0637 -277.102 267.533 -277.101 271.801 GPRESSURE: 4114200 77.8828 -124.569 302.887 -148.045 11.3725 -217.194 122.335 -231.245 315.977 PRESSAVG: 4114200 4.72067 -4.85719 -4.68098 -4.85717 14.8922 -23.1462 -4.68093 -23.1462 25.652 GPRESSAVG: 4114200 5.02139 -4.5266 -3.05085 -5.13705 14.0634 -23.7496 -6.85757 -21.0037 25.7081 TIMING: 4114200 CPU: 13061.8, 0.00315487/step Wall: 13061.8, 0.00315487/step, 0.776274 hours remaining, 240.808594 MB of memory in use. ENERGY: 4114200 4028.1539 20530.5822 14401.2421 241.1174 -203270.5114 2757.2371 0.0000 0.0000 52005.0563 -109307.1223 298.8738 -161312.1786 -108955.7006 299.8556 108.1770 135.0775 760869.5834 15.0883 14.9310 PRESSURE: 4114400 -197.3 103.066 64.6193 103.067 187.038 154.238 64.62 154.238 -322.529 GPRESSURE: 4114400 -25.0249 10.5293 55.8177 96.7702 99.5715 146.331 23.7649 176.756 -330.75 PRESSAVG: 4114400 6.6691 -15.9139 2.54626 -15.9139 17.2396 9.01887 2.54627 9.0189 -7.46902 GPRESSAVG: 4114400 6.58057 -16.6582 0.204933 -17.2535 17.516 10.6088 3.26918 8.00364 -8.18706 TIMING: 4114400 CPU: 13062.5, 0.00313676/step Wall: 13062.5, 0.00313676/step, 0.771644 hours remaining, 240.808594 MB of memory in use. ENERGY: 4114400 4020.1586 20526.0594 14446.1735 243.0072 -202841.8860 2400.6553 0.0000 0.0000 52107.1015 -109098.7304 299.4602 -161205.8319 -108742.7399 299.4912 -110.9301 -85.4012 761726.9575 5.4799 5.3032 PRESSURE: 4114600 98.7573 38.1138 -226.828 38.1146 -172.714 -196.616 -226.828 -196.615 -552.788 GPRESSURE: 4114600 162.835 118.649 -243.753 62.3321 -235.931 -151.308 -104.47 -316.062 -475.743 PRESSAVG: 4114600 47.6921 12.0728 -29.1759 12.0728 -62.5808 -12.6632 -29.176 -12.6632 -1.29026 GPRESSAVG: 4114600 46.9349 12.6725 -28.8817 12.3577 -62.5624 -13.9478 -27.5428 -12.9196 -0.665474 TIMING: 4114600 CPU: 13063.1, 0.00312638/step Wall: 13063.1, 0.00312638/step, 0.768915 hours remaining, 240.808594 MB of memory in use. ENERGY: 4114600 4058.0016 20463.4261 14416.6245 248.5874 -203103.1866 2412.3971 0.0000 0.0000 52165.1200 -109339.0299 299.7937 -161504.1499 -108970.0145 300.0665 -208.9152 -182.9463 760913.3158 -5.3930 -5.4310 PRESSURE: 4114800 -11.6791 17.3381 -94.6865 17.3384 -134.507 109.286 -94.687 109.286 242.688 GPRESSURE: 4114800 17.0706 79.2476 -68.4305 47.0486 -58.7386 47.1228 -49.8893 150.136 219.518 PRESSAVG: 4114800 40.7399 45.0958 22.0726 45.0958 15.4084 -21.2943 22.0725 -21.2943 -4.33471 GPRESSAVG: 4114800 41.7814 45.2421 21.0903 46.4078 14.8153 -20.7242 21.2471 -23.7595 -5.11273 TIMING: 4114800 CPU: 13063.7, 0.00313531/step Wall: 13063.7, 0.00313531/step, 0.770938 hours remaining, 240.808594 MB of memory in use. ENERGY: 4114800 3902.2459 20436.6116 14401.0486 245.1256 -203179.8814 2682.8676 0.0000 0.0000 52047.4321 -109464.5500 299.1173 -161511.9822 -109102.8613 299.4480 32.1673 59.2835 760524.6443 17.2712 17.1613 PRESSURE: 4115000 46.7165 -208.196 -9.20569 -208.196 258.036 207.737 -9.20615 207.737 170.268 GPRESSURE: 4115000 109.982 -138.008 -152.938 -136.479 241.302 182.806 59.3572 34.1644 202.445 PRESSAVG: 4115000 15.9075 51.3268 -10.7532 51.3269 -49.9278 63.7119 -10.7532 63.7119 9.40897 GPRESSAVG: 4115000 16.1818 51.7457 -9.00477 49.2391 -49.9298 62.5728 -11.0524 66.3024 9.16259 TIMING: 4115000 CPU: 13064.3, 0.00314434/step Wall: 13064.3, 0.00314434/step, 0.772983 hours remaining, 240.808594 MB of memory in use. ENERGY: 4115000 3957.8813 20406.3055 14498.6109 229.1542 -203495.4669 2752.9197 0.0000 0.0000 52002.2820 -109648.3133 298.8578 -161650.5953 -109282.4277 299.3769 158.3403 184.5762 761237.5589 -8.2038 -8.1951 PRESSURE: 4115200 175.484 113.095 -250.427 113.095 -102.727 10.6191 -250.427 10.6195 -160.365 GPRESSURE: 4115200 84.2893 167.839 -197.831 177.421 27.6386 97.9794 -227.237 -179.447 -97.5853 PRESSAVG: 4115200 28.9871 19.8196 7.05789 19.8196 -45.245 -37.9078 7.05788 -37.9078 22.4292 GPRESSAVG: 4115200 27.513 19.384 6.30077 20.9349 -45.118 -39.2452 7.3562 -38.2425 23.7358 TIMING: 4115200 CPU: 13065, 0.00313125/step Wall: 13065, 0.00313125/step, 0.769592 hours remaining, 240.808594 MB of memory in use. ENERGY: 4115200 4006.3677 20477.0003 14439.4973 257.6411 -203721.1990 2796.5288 0.0000 0.0000 52098.5052 -109645.6586 299.4108 -161744.1638 -109293.0660 298.9323 -29.2023 4.7809 760454.1026 2.0571 2.0436 PRESSURE: 4115400 -327.73 -163.338 108.361 -163.337 -58.4493 -11.3088 108.361 -11.3089 -239.325 GPRESSURE: 4115400 -342.774 -143.325 2.56512 -215.531 40.8675 3.12096 -23.0024 24.5093 -231.277 PRESSAVG: 4115400 55.8312 24.7962 16.8126 24.7963 -64.5568 -46.3629 16.8126 -46.3629 -6.69946 GPRESSAVG: 4115400 56.7834 24.5774 17.5844 25.0005 -64.7596 -44.4287 16.143 -46.731 -7.38484 TIMING: 4115400 CPU: 13065.6, 0.00312723/step Wall: 13065.6, 0.00312723/step, 0.768429 hours remaining, 240.808594 MB of memory in use. ENERGY: 4115400 4047.6746 20535.4034 14454.5129 233.3869 -203113.3053 2459.8580 0.0000 0.0000 51597.3479 -109785.1216 296.5307 -161382.4695 -109430.5287 298.8255 -208.5016 -177.7277 761909.7347 -5.1417 -5.1204 PRESSURE: 4115600 337.783 8.43814 332.367 8.43789 142.987 131.423 332.368 131.422 221.808 GPRESSURE: 4115600 348.701 72.8455 409.724 6.81219 196.625 119.648 209.778 47.706 245.432 PRESSAVG: 4115600 67.27 26.2706 22.8267 26.2706 -76.2503 8.45369 22.8267 8.45374 24.981 GPRESSAVG: 4115600 67.0489 26.9002 22.6773 27.6396 -75.682 8.88336 22.6775 9.35653 24.1144 TIMING: 4115600 CPU: 13066.2, 0.00314907/step Wall: 13066.2, 0.00314906/step, 0.77362 hours remaining, 240.808594 MB of memory in use. ENERGY: 4115600 4008.9809 20410.8669 14415.1964 257.5112 -203495.6366 2733.5827 0.0000 0.0000 52032.0164 -109637.4820 299.0287 -161669.4984 -109285.1716 298.7186 234.1928 263.5857 761201.6061 5.3336 5.1604 PRESSURE: 4115800 -172.245 96.4085 28.3211 96.4083 -267.616 47.2747 28.3212 47.2746 -303.871 GPRESSURE: 4115800 -118.078 97.5196 55.1912 149.263 -222.75 25.0673 -43.3024 116.503 -346.943 PRESSAVG: 4115800 16.0903 19.4375 31.137 19.4375 -57.0894 -8.25151 31.137 -8.25155 -3.58522 GPRESSAVG: 4115800 16.0197 19.1349 31.2334 16.5788 -57.8232 -9.89634 31.1248 -8.99245 -3.01249 TIMING: 4115800 CPU: 13066.9, 0.00316604/step Wall: 13066.9, 0.00316604/step, 0.777614 hours remaining, 240.808594 MB of memory in use. ENERGY: 4115800 4028.9067 20663.6728 14443.5364 243.7633 -203278.7426 2408.7810 0.0000 0.0000 51719.6936 -109770.3887 297.2338 -161490.0823 -109413.7244 298.6934 -247.9108 -229.2569 761192.1783 -14.8615 -14.9387 PRESSURE: 4116000 -33.4478 179.553 -41.7811 179.552 134.982 -117.679 -41.7812 -117.679 -138.598 GPRESSURE: 4116000 57.2678 262.011 -41.5173 158.829 113.084 -183.878 -36.7055 -30.3209 -130.474 PRESSAVG: 4116000 0.808971 53.7602 11.3467 53.7601 -5.90424 36.8016 11.3467 36.8015 4.85164 GPRESSAVG: 4116000 0.656826 54.0313 10.3922 54.5082 -6.01127 36.4613 12.0535 40.6662 5.19675 TIMING: 4116000 CPU: 13067.5, 0.0031621/step Wall: 13067.5, 0.0031621/step, 0.776472 hours remaining, 240.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 4064.7524 20405.4042 14449.4489 238.7492 -203316.3706 2302.3034 0.0000 0.0000 52123.2007 -109732.5118 299.5528 -161855.7125 -109367.0333 298.4811 -12.3546 13.2929 759358.0919 -0.0812 -0.0526 PRESSURE: 4116200 10.5194 72.1974 -237.777 72.1977 -177.135 99.1794 -237.779 99.1798 88.8393 GPRESSURE: 4116200 95.7839 106.196 -180.294 104.816 -113.478 85.0399 -134.804 43.6076 31.8599 PRESSAVG: 4116200 -13.9125 76.684 -0.758444 76.684 -8.17058 -24.387 -0.758525 -24.387 -42.1989 GPRESSAVG: 4116200 -12.3431 75.4597 0.4688 78.561 -7.62365 -23.9144 0.565162 -29.9155 -43.4593 TIMING: 4116200 CPU: 13068.1, 0.00316404/step Wall: 13068.1, 0.00316404/step, 0.776772 hours remaining, 240.808594 MB of memory in use. ENERGY: 4116200 3935.6118 20582.7655 14428.6288 254.0644 -203538.4383 2649.2508 0.0000 0.0000 52082.6706 -109605.4464 299.3198 -161688.1170 -109248.5177 299.2976 -25.9253 4.7220 761098.2006 -21.4273 -21.1420 LDB: ============= START OF LOAD BALANCING ============== 13080.6 LDB: ============== END OF LOAD BALANCING =============== 13080.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13080.6 LDB: ============= START OF LOAD BALANCING ============== 13080.9 LDB: Largest compute 7056 load 0.034321 is 17.6% of average load 0.195248 LDB: Average compute 0.004418 is 2.3% of average load 0.195248 LDB: TIME 13080.9 LOAD: AVG 0.195248 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 13080.9 LOAD: AVG 0.195248 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 13080.9 LOAD: AVG 0.195248 MAX 0.213611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 13080.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13080.9 PRESSURE: 4116400 90.9222 -60.2822 55.809 -60.2826 381.326 -70.4184 55.809 -70.4198 294.843 GPRESSURE: 4116400 83.5441 -123.087 80.1097 2.04425 437.865 -121.502 120.509 53.1712 325.165 PRESSAVG: 4116400 3.96435 -3.12374 -16.4228 -3.12374 8.3696 -32.8326 -16.4228 -32.8326 31.3278 GPRESSAVG: 4116400 3.16247 -2.09472 -18.301 -4.25481 8.36473 -31.9161 -16.2934 -28.302 31.9308 TIMING: 4116400 CPU: 13068.8, 0.00322636/step Wall: 13068.8, 0.00322636/step, 0.791892 hours remaining, 240.605469 MB of memory in use. ENERGY: 4116400 3960.3028 20577.5461 14320.9313 238.1215 -203466.3900 2679.1890 0.0000 0.0000 51982.5221 -109707.7772 298.7443 -161690.2993 -109348.4158 298.8222 255.6969 282.1913 760960.0830 14.5539 14.4860 PRESSURE: 4116600 -326.542 20.7382 -184.439 20.739 -308.808 -42.6412 -184.439 -42.6405 -235.412 GPRESSURE: 4116600 -276.469 22.6338 -145.675 14.5498 -288.414 -33.1712 -126.046 29.5932 -223.383 PRESSAVG: 4116600 -12.5265 -32.9073 45.912 -32.9073 -5.28422 28.0892 45.912 28.0893 1.63623 GPRESSAVG: 4116600 -12.9919 -31.9528 47.8144 -33.5869 -4.95451 27.0981 44.5337 28.7069 1.65214 TIMING: 4116600 CPU: 13069.4, 0.00320819/step Wall: 13069.4, 0.00320819/step, 0.787253 hours remaining, 240.605469 MB of memory in use. ENERGY: 4116600 3902.5108 20479.6434 14369.1470 236.6262 -202877.9358 2392.1143 0.0000 0.0000 51849.8583 -109648.0359 297.9818 -161497.8942 -109287.1868 299.0550 -290.2537 -262.7550 764086.6166 -5.3915 -5.4314 PRESSURE: 4116800 -103.584 -44.9916 -33.0559 -44.9919 -325.461 133.49 -33.0549 133.49 -217.19 GPRESSURE: 4116800 -197.729 70.3205 -22.9681 -95.3403 -225.805 44.2491 -11.808 212.743 -136.352 PRESSAVG: 4116800 25.5793 -24.1558 -2.46754 -24.1558 -18.3095 20.5502 -2.46752 20.5502 13.4889 GPRESSAVG: 4116800 26.1722 -26.2589 -4.71107 -25.2014 -17.7914 19.6073 -0.979855 20.4721 12.4645 TIMING: 4116800 CPU: 13070.1, 0.00317661/step Wall: 13070.1, 0.00317661/step, 0.779328 hours remaining, 240.605469 MB of memory in use. ENERGY: 4116800 3924.9008 20459.6250 14408.3968 248.8916 -203054.1012 2260.6347 0.0000 0.0000 52175.1791 -109576.4733 299.8515 -161751.6524 -109206.1179 299.1729 -215.4118 -186.6287 762516.9090 6.9195 6.9484 PRESSURE: 4117000 126.657 -197.99 -44.0529 -197.99 -316.833 -132.325 -44.0546 -132.326 27.4291 GPRESSURE: 4117000 74.9107 -226.404 -25.8166 -92.9528 -206.766 -118.805 -63.4011 -71.5062 85.2252 PRESSAVG: 4117000 37.3478 22.4434 27.4115 22.4434 -21.2872 52.3543 27.4116 52.3543 4.98151 GPRESSAVG: 4117000 37.4236 24.674 28.3618 23.7922 -22.9913 52.0037 27.2612 51.857 6.76569 TIMING: 4117000 CPU: 13070.7, 0.00314604/step Wall: 13070.7, 0.00314604/step, 0.771654 hours remaining, 240.605469 MB of memory in use. ENERGY: 4117000 3993.5669 20435.8920 14433.2978 240.1729 -202971.9868 2344.0971 0.0000 0.0000 51986.0740 -109538.8862 298.7647 -161524.9601 -109174.7466 299.4003 -54.2489 -15.5435 762678.5007 7.0140 7.0660 PRESSURE: 4117200 14.8125 75.931 -104.503 75.9303 -88.0585 313.6 -104.503 313.6 157.447 GPRESSURE: 4117200 68.819 82.2264 -129.244 -3.91751 -118.315 249.618 -51.2944 335.871 202.63 PRESSAVG: 4117200 77.2827 -12.8621 29.9637 -12.8622 -63.6872 80.312 29.9637 80.312 2.16218 GPRESSAVG: 4117200 77.7202 -14.7925 31.0559 -12.5211 -63.922 80.5188 29.6941 81.9254 1.89318 TIMING: 4117200 CPU: 13071.3, 0.00313418/step Wall: 13071.3, 0.00313418/step, 0.768571 hours remaining, 240.605469 MB of memory in use. ENERGY: 4117200 3941.2248 20459.7184 14481.4169 255.7573 -203214.0596 2436.3806 0.0000 0.0000 52223.2342 -109416.3274 300.1276 -161639.5616 -109057.7927 299.7396 28.0670 51.0446 760950.2217 5.2526 5.2305 PRESSURE: 4117400 4.94423 -4.75174 -126.26 -4.75125 317.197 -70.0838 -126.26 -70.0831 -112.147 GPRESSURE: 4117400 121.444 12.4402 -165.225 -33.1641 272.441 -12.1625 -198.683 -131.702 -111.687 PRESSAVG: 4117400 7.30167 -3.3287 34.5073 -3.32873 -37.0696 80.9361 34.5074 80.9361 23.0044 GPRESSAVG: 4117400 6.5328 -3.19837 33.184 -3.0111 -36.5725 82.0323 34.2533 77.837 22.9984 TIMING: 4117400 CPU: 13071.9, 0.00312103/step Wall: 13071.9, 0.00312103/step, 0.765171 hours remaining, 240.605469 MB of memory in use. ENERGY: 4117400 4009.2673 20311.6167 14453.3293 225.3030 -203677.8794 2811.5619 0.0000 0.0000 52326.5023 -109540.2988 300.7211 -161866.8011 -109178.3717 299.1857 69.9980 94.0661 759641.8960 -2.2545 -2.3471 PRESSURE: 4117600 -218.191 56.7963 -145.917 56.7959 9.75766 251.47 -145.917 251.47 -556.125 GPRESSURE: 4117600 -179.384 56.3734 -155.367 169.919 -7.29252 271.737 -224.992 245.641 -500.291 PRESSAVG: 4117600 -11.815 -21.4463 17.3908 -21.4463 -27.2938 57.9331 17.3908 57.9331 -16.0845 GPRESSAVG: 4117600 -11.6203 -17.8141 17.8433 -22.3684 -28.0019 56.4792 16.0135 60.6584 -15.4884 TIMING: 4117600 CPU: 13072.6, 0.00312674/step Wall: 13072.6, 0.00312675/step, 0.7664 hours remaining, 240.605469 MB of memory in use. ENERGY: 4117600 4020.9252 20347.9991 14490.1798 257.8197 -203251.8312 2349.9286 0.0000 0.0000 52174.4328 -109610.5460 299.8472 -161784.9788 -109244.1549 298.9728 -254.8528 -228.9891 761773.1377 -18.3978 -18.3702 PRESSURE: 4117800 -294.967 -101.028 -90.9427 -101.028 54.9726 95.5607 -90.9437 95.5607 258.115 GPRESSURE: 4117800 -170.192 -55.8589 44.5906 -189.095 40.7705 176.021 -42.0241 48.9611 238.921 PRESSAVG: 4117800 -11.4407 -7.46218 -4.43145 -7.46221 24.1224 25.4907 -4.43147 25.4906 1.4652 GPRESSAVG: 4117800 -11.7121 -9.25051 -3.46077 -7.09529 24.5877 26.0855 -1.14579 23.6176 1.35809 TIMING: 4117800 CPU: 13073.2, 0.00312286/step Wall: 13073.2, 0.00312286/step, 0.765274 hours remaining, 240.605469 MB of memory in use. ENERGY: 4117800 3927.9436 20565.1326 14457.2765 253.6428 -203462.9868 2580.6292 0.0000 0.0000 52061.5179 -109616.8442 299.1983 -161678.3620 -109268.6482 298.7843 6.0400 36.4998 760122.1942 4.7156 4.7445 PRESSURE: 4118000 231.446 140.933 -50.6247 140.933 18.2902 -161.376 -50.6244 -161.375 -139.784 GPRESSURE: 4118000 265.314 126.914 10.1349 53.9005 41.3386 -128.642 -103.763 -49.6228 -121.041 PRESSAVG: 4118000 -27.9919 -52.4802 7.65349 -52.4801 43.4811 59.5147 7.65344 59.5148 33.5056 GPRESSAVG: 4118000 -27.4157 -54.6176 7.29849 -51.2455 43.6679 61.665 5.18789 59.2844 33.3642 TIMING: 4118000 CPU: 13073.8, 0.00309943/step Wall: 13073.8, 0.00309943/step, 0.759361 hours remaining, 240.605469 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: 4118000 4007.4594 20421.7080 14396.8084 253.4451 -203508.6775 2617.7456 0.0000 0.0000 52165.1473 -109646.3637 299.7938 -161811.5110 -109281.5792 298.9483 36.6508 61.8705 760319.4686 16.3316 16.5388 PRESSURE: 4118200 -59.6982 -95.78 71.4584 -95.7788 -72.8909 210.185 71.4584 210.185 2.53937 GPRESSURE: 4118200 -7.80012 -145.857 -4.76622 -141.052 -4.40404 93.3778 35.1574 178.11 -27.7709 PRESSAVG: 4118200 7.90452 -42.0567 -5.31386 -42.0567 -14.9399 12.6487 -5.31382 12.6488 -5.52489 GPRESSAVG: 4118200 7.56687 -41.701 -7.51649 -43.8349 -16.4904 12.2093 -4.74367 12.6871 -4.19095 TIMING: 4118200 CPU: 13074.4, 0.00310144/step Wall: 13074.4, 0.00310144/step, 0.75968 hours remaining, 240.605469 MB of memory in use. ENERGY: 4118200 3942.0529 20539.0828 14362.6623 243.3378 -203245.8770 2217.4711 0.0000 0.0000 52077.0671 -109864.2029 299.2876 -161941.2700 -109507.1972 298.6188 -43.3499 -13.3250 761562.2683 -4.1868 -4.3715 PRESSURE: 4118400 -335.634 -23.5514 101.109 -23.5502 177.319 39.2958 101.109 39.296 -126.202 GPRESSURE: 4118400 -182.929 -48.5971 108.338 107.537 76.1758 -30.3533 -10.2889 13.6727 -97.3252 PRESSAVG: 4118400 7.36169 -15.2502 59.854 -15.2502 -38.6312 21.2931 59.8539 21.2931 9.45929 GPRESSAVG: 4118400 8.2718 -15.9642 62.6008 -16.4816 -38.8692 21.1127 58.6557 21.9307 9.39708 TIMING: 4118400 CPU: 13075, 0.00311144/step Wall: 13075, 0.00311144/step, 0.761956 hours remaining, 240.605469 MB of memory in use. ENERGY: 4118400 3944.2980 20467.2960 14433.1883 233.8812 -203185.2893 2377.0432 0.0000 0.0000 52100.3075 -109629.2750 299.4212 -161729.5826 -109265.0841 298.4622 -94.8389 -68.0260 762019.7626 -7.2701 -7.0668 PRESSURE: 4118600 213.169 -1.74283 96.8769 -1.74271 252.131 -102.317 96.8777 -102.317 231.477 GPRESSURE: 4118600 221.473 -76.2551 134.375 -35.0501 308.814 -26.3823 -0.302233 3.05616 256.59 PRESSAVG: 4118600 14.7622 -0.501074 57.1102 -0.501048 -23.838 3.05077 57.1103 3.05078 -12.3504 GPRESSAVG: 4118600 13.7259 3.78496 54.4184 0.67755 -22.1517 0.899963 56.849 5.76374 -13.1608 TIMING: 4118600 CPU: 13075.7, 0.00312283/step Wall: 13075.7, 0.00312283/step, 0.764573 hours remaining, 240.605469 MB of memory in use. ENERGY: 4118600 4036.5914 20606.6045 14493.7874 239.0636 -203505.6853 2675.8973 0.0000 0.0000 51739.1917 -109714.5495 297.3458 -161453.7412 -109356.0004 298.7681 232.2587 262.2923 760727.0012 -7.1421 -7.1955 PRESSURE: 4118800 102.585 166.783 -125.691 166.783 -82.0636 22.3869 -125.692 22.3872 293.732 GPRESSURE: 4118800 181.67 201.983 -43.5602 167.158 33.8936 -44.8547 -100.072 -21.3642 190.21 PRESSAVG: 4118800 11.9921 21.6602 26.084 21.6603 -31.9878 -5.65835 26.084 -5.65838 2.94488 GPRESSAVG: 4118800 12.5604 19.1329 28.3292 20.7916 -32.5242 -3.75669 26.409 -9.93675 2.6587 TIMING: 4118800 CPU: 13076.3, 0.00312921/step Wall: 13076.3, 0.00312921/step, 0.76596 hours remaining, 240.605469 MB of memory in use. ENERGY: 4118800 3916.4065 20539.8137 14447.1264 243.2531 -203533.7607 2554.4752 0.0000 0.0000 52105.5446 -109727.1411 299.4513 -161832.6857 -109351.2211 299.0727 104.7510 135.2580 760006.3472 -5.6836 -5.7684 PRESSURE: 4119000 -29.5453 62.192 -94.0899 62.1921 68.6813 116.605 -94.0899 116.606 30.3214 GPRESSURE: 4119000 15.9954 -29.7567 -18.7653 -125.433 79.4586 145.706 -155.963 135.371 48.9062 PRESSAVG: 4119000 -4.7135 -14.563 13.9398 -14.563 -69.6242 -6.60417 13.9398 -6.60419 -8.61078 GPRESSAVG: 4119000 -4.4289 -15.1295 14.649 -15.6266 -70.3461 -9.04907 13.3655 -4.33353 -8.51546 TIMING: 4119000 CPU: 13076.9, 0.0031368/step Wall: 13076.9, 0.0031368/step, 0.767645 hours remaining, 240.605469 MB of memory in use. ENERGY: 4119000 4027.1468 20586.5513 14459.5531 227.8162 -203367.3699 2514.8826 0.0000 0.0000 51891.0235 -109660.3964 298.2184 -161551.4199 -109314.2154 298.5126 23.1525 48.1200 760272.1621 -27.6495 -27.7635 PRESSURE: 4119200 -241.357 -229.07 -69.9144 -229.071 -233.672 27.8814 -69.9148 27.8802 628.479 GPRESSURE: 4119200 -284.267 -309.808 -112.148 -103.084 -123.283 112.828 27.8239 17.4623 662.635 PRESSAVG: 4119200 46.7601 10.9485 -26.4873 10.9485 -38.0492 32.863 -26.4873 32.863 14.2712 GPRESSAVG: 4119200 47.9462 10.9243 -27.8668 13.2519 -38.8001 35.2737 -25.0693 31.5839 13.3293 TIMING: 4119200 CPU: 13077.6, 0.00314487/step Wall: 13077.6, 0.00314487/step, 0.769444 hours remaining, 240.605469 MB of memory in use. ENERGY: 4119200 3918.1415 20429.0314 14467.2372 257.2122 -203059.0450 2249.0780 0.0000 0.0000 51952.3196 -109786.0251 298.5707 -161738.3446 -109426.1688 298.5974 51.1502 85.0284 759196.0807 7.6607 7.4918 PRESSURE: 4119400 22.8669 -69.4433 -232.813 -69.443 87.3339 116.087 -232.813 116.086 -74.6797 GPRESSURE: 4119400 55.7866 42.2358 -205.912 -24.2689 137.18 109.214 -284.339 145.014 -84.2237 PRESSAVG: 4119400 47.8748 33.9034 4.32211 33.9034 -18.1432 24.094 4.32213 24.094 3.82639 GPRESSAVG: 4119400 47.3278 34.4481 3.86175 31.9928 -17.8076 22.3834 5.35451 24.7235 3.60669 TIMING: 4119400 CPU: 13078.2, 0.00315199/step Wall: 13078.2, 0.00315199/step, 0.771012 hours remaining, 240.605469 MB of memory in use. ENERGY: 4119400 4027.2468 20493.8299 14512.9404 239.3359 -203857.3248 2624.8798 0.0000 0.0000 51808.8044 -110150.2877 297.7459 -161959.0921 -109790.0041 298.3767 11.8404 36.2477 758116.3172 11.1860 11.0423 PRESSURE: 4119600 28.324 151.202 -18.2153 151.203 -438.763 -113.803 -18.2155 -113.803 70.0471 GPRESSURE: 4119600 80.7425 112.197 -45.9161 202.842 -410.004 -71.7804 -19.3312 -16.0994 70.0142 PRESSAVG: 4119600 51.8766 -7.89719 -8.50416 -7.8972 -23.6214 -10.4881 -8.5042 -10.4881 -10.7861 GPRESSAVG: 4119600 51.6617 -9.07469 -8.71373 -5.29958 -24.136 -10.9787 -9.42009 -10.3075 -10.0188 TIMING: 4119600 CPU: 13078.8, 0.00314718/step Wall: 13078.8, 0.00314718/step, 0.769659 hours remaining, 240.605469 MB of memory in use. ENERGY: 4119600 3967.0410 20610.6613 14461.3732 226.4598 -203238.8323 2093.6380 0.0000 0.0000 51783.7095 -110095.9494 297.6017 -161879.6589 -109752.4926 298.3583 -113.4640 -86.4158 759784.8140 5.8230 5.8356 PRESSURE: 4119800 -512.149 34.7402 112.505 34.7396 -205.123 -113.092 112.504 -113.091 -8.32475 GPRESSURE: 4119800 -422.62 172.992 32.9214 59.2466 -193.391 -123.378 48.8571 -24.4268 -25.5069 PRESSAVG: 4119800 18.7848 -1.3925 9.4323 -1.39246 14.6852 13.0576 9.43231 13.0576 -13.9052 GPRESSAVG: 4119800 18.3048 -0.905848 9.36878 -3.43394 15.513 12.958 7.70817 13.2751 -14.5203 TIMING: 4119800 CPU: 13079.4, 0.00316429/step Wall: 13079.4, 0.00316429/step, 0.77367 hours remaining, 240.605469 MB of memory in use. ENERGY: 4119800 3985.3810 20287.7884 14524.2141 249.9399 -203520.5150 2338.0401 0.0000 0.0000 52056.8907 -110078.2608 299.1717 -162135.1515 -109712.7784 297.5058 -241.8656 -213.8393 760440.9491 6.5216 6.4325 PRESSURE: 4120000 -91.782 -71.3742 232.146 -71.3742 18.2725 -174.24 232.145 -174.239 -14.7339 GPRESSURE: 4120000 -9.73381 -25.2086 221.388 -31.2967 1.67337 -160.003 229.109 -218.185 3.81347 PRESSAVG: 4120000 -8.9825 14.7686 -13.1402 14.7687 -13.2972 -58.355 -13.1402 -58.355 -3.05603 GPRESSAVG: 4120000 -8.3885 15.739 -12.3341 16.8599 -14.7007 -57.061 -11.9644 -58.7606 -2.52717 TIMING: 4120000 CPU: 13080.1, 0.00313899/step Wall: 13080.1, 0.00313899/step, 0.767309 hours remaining, 240.605469 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: 4120000 3954.1392 20537.2375 14479.6869 245.1102 -203720.8862 2575.0188 0.0000 0.0000 51908.0166 -110021.6771 298.3161 -161929.6936 -109668.1487 297.9564 -29.4145 -1.4157 758600.6644 -8.4452 -8.5388 PRESSURE: 4120200 50.3844 256.225 -191.553 256.225 118.609 77.1432 -191.553 77.1421 22.4202 GPRESSURE: 4120200 90.1928 250.936 -203.188 160.849 100.979 81.4874 -187.299 76.7136 90.4957 PRESSAVG: 4120200 -26.7911 14.2279 -0.691491 14.2279 13.1048 -14.3884 -0.691506 -14.3884 13.0221 GPRESSAVG: 4120200 -28.0646 15.377 -2.36483 12.953 13.6091 -15.2949 -0.0222854 -14.972 14.0135 TIMING: 4120200 CPU: 13080.7, 0.00311185/step Wall: 13080.7, 0.00311185/step, 0.760502 hours remaining, 240.605469 MB of memory in use. ENERGY: 4120200 3981.5654 20508.2073 14557.8567 241.6732 -203674.3428 2676.1525 0.0000 0.0000 52088.0844 -109620.8033 299.3509 -161708.8877 -109260.1789 299.0904 63.8045 93.8893 759782.4931 -0.2214 -0.1473 LDB: ============= START OF LOAD BALANCING ============== 13093.1 LDB: ============== END OF LOAD BALANCING =============== 13093.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13093.1 LDB: ============= START OF LOAD BALANCING ============== 13093.5 LDB: Largest compute 7077 load 0.034748 is 17.8% of average load 0.195389 LDB: Average compute 0.004411 is 2.3% of average load 0.195389 LDB: TIME 13093.5 LOAD: AVG 0.195389 MAX 0.21579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.914 MB LDB: TIME 13093.5 LOAD: AVG 0.195389 MAX 0.21579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: TIME 13093.5 LOAD: AVG 0.195389 MAX 0.21579 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.117 MB LDB: ============== END OF LOAD BALANCING =============== 13093.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13093.5 PRESSURE: 4120400 -463.151 -120.137 -116.667 -120.138 -13.7984 40.7379 -116.667 40.7372 -65.8231 GPRESSURE: 4120400 -450.694 -164.044 -66.2383 -134.691 71.6405 15.0033 -49.9368 182.174 -79.6006 PRESSAVG: 4120400 -22.6113 13.7274 -44.6406 13.7273 59.0503 -3.53767 -44.6406 -3.53768 -3.59667 GPRESSAVG: 4120400 -22.7501 12.2676 -43.6195 13.5439 59.9785 -2.20238 -44.3483 -3.80498 -4.417 TIMING: 4120400 CPU: 13081.3, 0.00318442/step Wall: 13081.3, 0.00318442/step, 0.77806 hours remaining, 238.812500 MB of memory in use. ENERGY: 4120400 4010.7499 20649.1457 14535.9523 255.0266 -203212.9305 2447.8389 0.0000 0.0000 51735.8901 -109578.3270 297.3269 -161314.2171 -109225.8297 299.4501 -180.9243 -152.8848 762242.1775 10.9474 10.9371 PRESSURE: 4120600 372.677 120.622 202.062 120.621 147.838 -71.5684 202.061 -71.5679 160.777 GPRESSURE: 4120600 381.375 83.0217 204.962 36.1522 189.596 -119.133 113.511 -24.0342 199.657 PRESSAVG: 4120600 24.339 29.6882 21.8964 29.6882 -26.6621 -13.705 21.8964 -13.7049 -8.30702 GPRESSAVG: 4120600 26.8867 27.455 21.8413 30.2234 -27.4228 -12.5054 20.6029 -13.617 -9.96185 TIMING: 4120600 CPU: 13082, 0.00312223/step Wall: 13082, 0.00312223/step, 0.762691 hours remaining, 238.812500 MB of memory in use. ENERGY: 4120600 4034.2785 20532.9074 14503.7195 257.3793 -203944.3826 3052.5253 0.0000 0.0000 52126.7138 -109436.8588 299.5729 -161563.5726 -109075.0389 299.8502 227.0975 256.8757 759374.6425 -3.5434 -3.4993 PRESSURE: 4120800 -290.153 -57.0962 -63.8348 -57.0957 171.361 126.732 -63.8348 126.732 -60.4791 GPRESSURE: 4120800 -190.433 -196.019 8.87818 11.6874 152.498 116.343 -80.1297 88.1069 -72.9937 PRESSAVG: 4120800 9.04941 -14.4425 38.859 -14.4424 35.9693 11.2244 38.8589 11.2244 4.27811 GPRESSAVG: 4120800 7.22299 -12.3677 39.4124 -14.4385 37.6234 9.52984 39.2149 10.6439 4.86022 TIMING: 4120800 CPU: 13082.6, 0.00315121/step Wall: 13082.6, 0.00315121/step, 0.769596 hours remaining, 238.812500 MB of memory in use. ENERGY: 4120800 4077.7470 20442.4119 14483.0945 257.7411 -203463.6411 2597.1831 0.0000 0.0000 51992.7290 -109612.7345 298.8029 -161605.4635 -109245.6367 299.0144 -59.7572 -36.9764 760453.4431 16.4323 16.5689 PRESSURE: 4121000 -138.269 -109.418 100.689 -109.419 268.15 -101.775 100.689 -101.775 -146.511 GPRESSURE: 4121000 -71.5411 19.5607 111.684 -165.094 235.151 -63.7546 169.945 -213.939 -102.953 PRESSAVG: 4121000 -43.7218 -23.2074 59.0402 -23.2073 25.5609 -20.4924 59.0402 -20.4924 10.5493 GPRESSAVG: 4121000 -43.313 -21.6624 59.2848 -23.7116 24.4676 -20.527 61.3378 -19.96 10.7695 TIMING: 4121000 CPU: 13083.2, 0.00314574/step Wall: 13083.2, 0.00314574/step, 0.768086 hours remaining, 238.812500 MB of memory in use. ENERGY: 4121000 3965.8253 20482.0781 14455.6240 258.5199 -203701.9993 2873.6508 0.0000 0.0000 51963.4242 -109702.8770 298.6345 -161666.3012 -109331.3836 298.9684 -5.5435 20.2190 760516.3787 -2.5372 -2.6920 PRESSURE: 4121200 -270.332 -49.3981 120.079 -49.399 265.015 53.5888 120.08 53.5886 -234.108 GPRESSURE: 4121200 -111.44 -131.779 142.052 53.3409 237.981 -24.64 215.485 65.751 -291.224 PRESSAVG: 4121200 30.1635 1.37544 34.7386 1.37544 -65.5247 -67.9684 34.7386 -67.9685 -0.893671 GPRESSAVG: 4121200 30.0237 1.40431 36.166 -0.751588 -65.6343 -67.4383 31.9695 -68.6707 -1.06962 TIMING: 4121200 CPU: 13083.8, 0.0031315/step Wall: 13083.8, 0.0031315/step, 0.764433 hours remaining, 238.812500 MB of memory in use. ENERGY: 4121200 3988.8990 20657.2353 14490.1736 239.6630 -203292.2496 2456.7746 0.0000 0.0000 52103.6056 -109355.8984 299.4401 -161459.5040 -108996.8004 299.1476 -79.8083 -54.8945 760176.0873 -12.0850 -12.2267 PRESSURE: 4121400 -76.4512 110.666 19.8901 110.666 -456.919 -139.295 19.8902 -139.294 84.0381 GPRESSURE: 4121400 -140.089 110.451 -56.1589 -95.1886 -285.486 -149.68 40.2573 -31.1873 73.0278 PRESSAVG: 4121400 16.1997 -29.4042 0.418036 -29.4042 -39.5655 -51.4666 0.41804 -51.4666 -2.28534 GPRESSAVG: 4121400 16.301 -31.9631 -0.762996 -28.2126 -38.6706 -51.4891 1.77335 -48.9728 -3.23426 TIMING: 4121400 CPU: 13084.5, 0.00311867/step Wall: 13084.5, 0.00311867/step, 0.76113 hours remaining, 238.812500 MB of memory in use. ENERGY: 4121400 4031.3103 20660.0188 14525.9218 277.8601 -203473.3486 2449.2025 0.0000 0.0000 52122.0825 -109406.9526 299.5463 -161529.0352 -109039.8890 299.6427 -149.7774 -117.5156 761042.2938 -8.5504 -8.5346 PRESSURE: 4121600 148.866 -57.2631 177.835 -57.2638 234.476 -78.2522 177.835 -78.252 367.759 GPRESSURE: 4121600 188.529 -11.9315 207.638 -60.6229 247.006 -34.1658 -8.54309 -1.12365 390.479 PRESSAVG: 4121600 31.727 9.45663 24.6739 9.45661 -12.4148 -42.0135 24.6739 -42.0135 7.47514 GPRESSAVG: 4121600 31.0981 11.861 24.6003 10.3047 -13.4229 -42.1002 22.1242 -42.6383 8.60852 TIMING: 4121600 CPU: 13085.1, 0.00314558/step Wall: 13085.1, 0.00314558/step, 0.767521 hours remaining, 238.812500 MB of memory in use. ENERGY: 4121600 3986.1949 20473.8055 14415.5645 259.0481 -203328.6601 2540.3707 0.0000 0.0000 52140.9180 -109512.7584 299.6546 -161653.6764 -109150.1556 299.6508 250.3670 275.3378 760499.2443 8.9291 8.7613 PRESSURE: 4121800 -86.9422 -166.232 259.102 -166.232 -57.5231 -121.921 259.102 -121.921 374.66 GPRESSURE: 4121800 35.4995 -166.079 187.49 -100.834 -31.7105 -164.071 160.691 -161.701 309.78 PRESSAVG: 4121800 6.58045 -63.9865 21.1646 -63.9865 -35.798 2.88559 21.1645 2.88556 -15.6186 GPRESSAVG: 4121800 6.68231 -66.1094 20.6484 -63.9146 -34.8163 2.03759 22.3511 3.75637 -16.664 TIMING: 4121800 CPU: 13085.7, 0.00314981/step Wall: 13085.7, 0.00314981/step, 0.768378 hours remaining, 238.812500 MB of memory in use. ENERGY: 4121800 3914.5991 20938.1986 14476.9365 263.5535 -203362.1332 2250.9672 0.0000 0.0000 52098.3162 -109419.5622 299.4097 -161517.8784 -109061.3849 299.7263 76.7316 104.5230 761405.4549 -14.9454 -14.9327 PRESSURE: 4122000 293.462 55.6814 49.607 55.6814 -17.6791 9.66919 49.607 9.66907 -16.3493 GPRESSURE: 4122000 331.955 97.107 99.8066 53.5197 67.5556 -39.6836 32.3191 -29.6269 -58.7004 PRESSAVG: 4122000 -3.20725 12.6631 32.6728 12.6631 -44.5531 7.03244 32.6728 7.03234 -3.80869 GPRESSAVG: 4122000 -2.83244 13.8179 32.4684 10.5934 -46.1774 6.78107 32.0107 5.44446 -2.99906 TIMING: 4122000 CPU: 13086.4, 0.00315088/step Wall: 13086.4, 0.00315088/step, 0.768464 hours remaining, 238.812500 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: 4122000 3995.6860 20666.3142 14451.9064 256.7811 -203492.2486 2770.4408 0.0000 0.0000 51952.0692 -109399.0509 298.5693 -161351.1201 -109026.8830 299.6858 86.4779 113.6034 762094.3727 -17.1897 -17.3363 PRESSURE: 4122200 -47.1638 105.234 -149.243 105.235 26.0087 27.4928 -149.243 27.492 0.933855 GPRESSURE: 4122200 -76.507 130.16 -145.696 129.746 91.0061 -1.18341 -251.104 145.067 43.5797 PRESSAVG: 4122200 64.4842 -13.3288 19.8115 -13.3288 -99.1769 14.6303 19.8115 14.6303 -15.6402 GPRESSAVG: 4122200 64.1593 -12.8819 20.1016 -11.4763 -98.0385 16.8609 19.8896 12.4361 -16.0747 TIMING: 4122200 CPU: 13087, 0.0031422/step Wall: 13087, 0.0031422/step, 0.766173 hours remaining, 238.812500 MB of memory in use. ENERGY: 4122200 3963.0645 20790.7984 14463.8587 236.1344 -203028.4557 2170.4768 0.0000 0.0000 51868.6741 -109535.4488 298.0900 -161404.1229 -109189.6379 299.4369 -6.7404 19.3596 762774.6207 -16.7776 -16.6513 PRESSURE: 4122400 316.259 6.2047 22.2934 6.20575 29.9501 82.8377 22.2937 82.8363 261.517 GPRESSURE: 4122400 303.578 -40.7906 -86.8057 98.8405 131.188 85.7347 6.689 203.008 234.647 PRESSAVG: 4122400 66.642 13.5842 -5.32717 13.5841 -51.7117 12.1562 -5.32721 12.1562 -9.75411 GPRESSAVG: 4122400 67.0858 13.3721 -5.55881 13.525 -52.7148 11.7247 -3.00224 14.0099 -9.18889 TIMING: 4122400 CPU: 13087.6, 0.003129/step Wall: 13087.6, 0.003129/step, 0.762781 hours remaining, 238.812500 MB of memory in use. ENERGY: 4122400 3980.9975 20444.5104 14426.0457 238.0002 -203801.2646 2794.5042 0.0000 0.0000 52082.5087 -109834.6979 299.3189 -161917.2066 -109475.3556 298.9580 202.5753 223.1376 760287.0884 1.7254 1.7274 PRESSURE: 4122600 266.636 -57.7042 -188.622 -57.7046 -133.364 -308.22 -188.621 -308.221 -131.641 GPRESSURE: 4122600 271.855 -8.04697 -97.4649 -73.1065 -62.9552 -286.83 -208.975 -294.132 -131.469 PRESSAVG: 4122600 97.8067 -5.17444 -32.2923 -5.17445 -70.9093 30.1615 -32.2923 30.1614 13.5541 GPRESSAVG: 4122600 96.0684 -5.03656 -33.0995 -4.43459 -69.7576 28.425 -31.9346 31.2882 14.3655 TIMING: 4122600 CPU: 13088.2, 0.00313421/step Wall: 13088.2, 0.00313421/step, 0.763877 hours remaining, 238.812500 MB of memory in use. ENERGY: 4122600 3923.9963 20504.2140 14492.7467 243.7674 -203691.7502 2571.0845 0.0000 0.0000 52273.8258 -109682.1155 300.4184 -161955.9412 -109313.8365 299.0142 0.5435 25.8103 760012.1029 13.4839 13.5588 PRESSURE: 4122800 37.8916 -136.842 62.6263 -136.841 229.469 120.475 62.6259 120.475 509.957 GPRESSURE: 4122800 75.9476 -172.023 96.1365 -15.4927 278.419 121.266 103.553 120.28 488.919 PRESSAVG: 4122800 -3.93123 -43.0695 11.2276 -43.0695 3.70674 -2.56108 11.2276 -2.56115 20.5728 GPRESSAVG: 4122800 -1.29206 -44.1615 11.5726 -42.3782 2.07798 -0.624553 10.4558 -5.66671 19.6064 TIMING: 4122800 CPU: 13088.9, 0.00313521/step Wall: 13088.9, 0.00313521/step, 0.763946 hours remaining, 238.812500 MB of memory in use. ENERGY: 4122800 3995.5585 20612.4890 14411.0978 247.2275 -203933.2215 2687.7586 0.0000 0.0000 52329.7448 -109649.3454 300.7398 -161979.0901 -109278.8858 299.1166 259.1059 281.0953 759303.9455 6.7828 6.7975 PRESSURE: 4123000 313.846 31.2959 -6.82785 31.2971 164.289 -7.78093 -6.82745 -7.78143 -33.3546 GPRESSURE: 4123000 348.7 -24.899 -79.5934 -69.2329 225.113 -27.6998 87.1201 101.254 -39.5814 PRESSAVG: 4123000 26.791 -56.0316 26.5762 -56.0316 3.38603 -1.89123 26.5762 -1.89128 11.7861 GPRESSAVG: 4123000 24.9954 -53.7707 26.2807 -58.8079 5.03052 -1.07263 28.3167 -0.448072 11.7315 TIMING: 4123000 CPU: 13089.5, 0.00315402/step Wall: 13089.5, 0.00315402/step, 0.768354 hours remaining, 238.812500 MB of memory in use. ENERGY: 4123000 3902.5167 20728.6393 14449.0412 274.2768 -203617.1714 2833.5168 0.0000 0.0000 51651.0185 -109778.1620 296.8391 -161429.1804 -109427.1944 299.2242 148.2601 178.0772 760110.4636 13.9877 13.9191 PRESSURE: 4123200 74.7907 -144.768 -43.12 -144.767 -194.58 38.4844 -43.1198 38.4846 204.449 GPRESSURE: 4123200 79.3735 -163.776 -69.8331 -84.6848 -138.832 35.7589 -64.1978 -49.9553 243.243 PRESSAVG: 4123200 8.47577 8.81994 16.8901 8.81992 -8.0323 33.2968 16.8902 33.2967 22.2223 GPRESSAVG: 4123200 9.92749 8.21712 18.432 9.79942 -9.40176 32.7064 12.9886 34.526 22.6746 TIMING: 4123200 CPU: 13090.1, 0.00313341/step Wall: 13090.1, 0.00313342/step, 0.763161 hours remaining, 238.812500 MB of memory in use. ENERGY: 4123200 3979.1074 20619.1370 14437.8608 237.8523 -203652.1935 2611.7013 0.0000 0.0000 51902.0231 -109864.5116 298.2816 -161766.5347 -109499.9438 298.7681 28.2196 61.2616 760777.0021 7.5552 7.7335 PRESSURE: 4123400 218.918 -167.354 35.0733 -167.355 -105.445 195.735 35.0727 195.737 -83.6536 GPRESSURE: 4123400 240.011 -151.552 29.6836 -43.6217 41.1509 217.613 67.4476 133.459 -160.83 PRESSAVG: 4123400 53.9607 -69.8191 18.4381 -69.8191 -24.7056 27.2282 18.4381 27.2282 -24.1498 GPRESSAVG: 4123400 52.9519 -70.0742 17.6743 -67.2199 -22.8748 27.0576 21.2168 24.8987 -24.6906 TIMING: 4123400 CPU: 13090.7, 0.00310504/step Wall: 13090.7, 0.00310504/step, 0.756077 hours remaining, 238.812500 MB of memory in use. ENERGY: 4123400 3988.2098 20615.6975 14395.8636 251.7320 -203439.9993 2662.7756 0.0000 0.0000 51940.6696 -109585.0512 298.5037 -161525.7208 -109216.5497 299.4723 9.9397 40.1108 760655.2147 1.7018 1.7955 PRESSURE: 4123600 51.0128 116.523 123.031 116.523 -261.321 100.277 123.03 100.277 -58.5652 GPRESSURE: 4123600 58.2369 55.0603 67.2144 189.233 -239.968 113.339 149.785 116.248 4.6538 PRESSAVG: 4123600 5.90413 -23.6867 -21.6974 -23.6868 5.30342 2.92178 -21.6974 2.92171 -9.80702 GPRESSAVG: 4123600 7.196 -25.5835 -21.3349 -25.4984 4.50291 2.09085 -22.1841 3.33908 -9.72816 TIMING: 4123600 CPU: 13091.4, 0.00311288/step Wall: 13091.4, 0.00311288/step, 0.757814 hours remaining, 238.812500 MB of memory in use. ENERGY: 4123600 4071.6301 20531.4925 14458.5557 228.6684 -203609.8472 2529.8584 0.0000 0.0000 52268.0100 -109521.6320 300.3850 -161789.6420 -109167.4565 299.8805 -89.6244 -59.0258 759126.7547 0.4668 0.6569 PRESSURE: 4123800 94.3251 3.28456 -293.324 3.28431 78.4175 -246.144 -293.325 -246.143 -199.794 GPRESSURE: 4123800 107.09 -21.8754 -322.544 18.6469 191.394 -328.688 -376.958 -221.554 -227.761 PRESSAVG: 4123800 -9.72014 -6.67028 -3.2551 -6.67024 26.0508 -39.927 -3.25509 -39.927 0.930037 GPRESSAVG: 4123800 -10.6315 -5.80421 -3.4322 -5.7105 26.3871 -40.901 -3.2178 -37.1415 1.97481 TIMING: 4123800 CPU: 13092, 0.00311591/step Wall: 13092, 0.00311591/step, 0.758377 hours remaining, 238.812500 MB of memory in use. ENERGY: 4123800 4013.2091 20520.2431 14481.4985 246.4785 -203847.5584 2782.8650 0.0000 0.0000 52175.9395 -109627.3247 299.8558 -161803.2642 -109266.4001 299.8248 -9.0170 23.5741 760557.2257 5.7536 5.9101 PRESSURE: 4124000 -50.4876 -99.0123 -149.234 -99.0125 221.479 -57.0913 -149.234 -57.0907 -28.8091 GPRESSURE: 4124000 -23.8187 -73.115 -112.017 -51.2053 237.613 23.9715 -128.06 36.6524 6.10515 PRESSAVG: 4124000 -12.5365 -21.3695 18.8121 -21.3695 12.2523 20.9559 18.8122 20.9559 12.1103 GPRESSAVG: 4124000 -12.2572 -20.0316 18.8634 -22.1696 13.0785 21.9261 19.0799 20.1903 10.9131 TIMING: 4124000 CPU: 13092.6, 0.00311993/step Wall: 13092.6, 0.00311993/step, 0.759183 hours remaining, 238.812500 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: 4124000 3976.2287 20530.3171 14487.9002 248.4650 -203730.5852 2616.7238 0.0000 0.0000 52171.8445 -109699.1059 299.8323 -161870.9504 -109336.7983 299.1896 47.3942 73.2997 760098.1876 3.9420 3.9115 PRESSURE: 4124200 396.254 107.661 -136.26 107.661 111.591 -50.6654 -136.259 -50.6652 -99.5981 GPRESSURE: 4124200 469.676 147.206 -162.605 165.354 141.258 18.0634 -235.921 -165.517 -103.431 PRESSAVG: 4124200 49.4604 -4.87903 -7.00786 -4.879 -67.6249 -23.3723 -7.00787 -23.3722 15.2796 GPRESSAVG: 4124200 49.8142 -5.73815 -6.41308 -5.08774 -67.8227 -21.4559 -8.53248 -23.6914 15.8075 TIMING: 4124200 CPU: 13093.2, 0.00316153/step Wall: 13093.2, 0.00316153/step, 0.76913 hours remaining, 238.812500 MB of memory in use. ENERGY: 4124200 3926.5753 20432.5861 14469.2076 247.5045 -203527.9293 2602.6243 0.0000 0.0000 52073.8682 -109775.5632 299.2692 -161849.4314 -109410.4536 298.9579 136.0821 169.1675 760301.5430 -0.9616 -0.7337 LDB: ============= START OF LOAD BALANCING ============== 13105.7 LDB: ============== END OF LOAD BALANCING =============== 13105.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13105.7 LDB: ============= START OF LOAD BALANCING ============== 13106 LDB: Largest compute 7031 load 0.035274 is 18.1% of average load 0.195339 LDB: Average compute 0.004392 is 2.2% of average load 0.195339 LDB: TIME 13106 LOAD: AVG 0.195339 MAX 0.214279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 13106 LOAD: AVG 0.195339 MAX 0.214279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: TIME 13106 LOAD: AVG 0.195339 MAX 0.214279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.676 MB LDB: ============== END OF LOAD BALANCING =============== 13106 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13106 PRESSURE: 4124400 -227.196 225.277 193.676 225.278 -136.75 264.332 193.675 264.333 324.239 GPRESSURE: 4124400 -94.6516 276.094 179.027 134.83 -154.258 203.386 122.803 285.858 301.469 PRESSAVG: 4124400 26.5487 -12.3531 3.53834 -12.3531 -24.2167 14.6068 3.53835 14.6068 0.204986 GPRESSAVG: 4124400 27.4791 -11.7926 3.59658 -11.0552 -25.1537 14.8688 2.89432 14.8983 0.702466 TIMING: 4124400 CPU: 13093.9, 0.00323688/step Wall: 13093.9, 0.00323688/step, 0.78728 hours remaining, 239.324219 MB of memory in use. ENERGY: 4124400 4032.5652 20480.3322 14540.4318 241.2919 -203588.0544 2315.4524 0.0000 0.0000 52136.5848 -109841.3960 299.6297 -161977.9808 -109475.1644 299.2381 -13.2357 17.5199 759349.7715 0.8456 1.0093 PRESSURE: 4124600 -208.372 -0.882348 161.669 -0.882535 -296.814 79.8765 161.669 79.876 20.1664 GPRESSURE: 4124600 -69.3566 -11.7898 129.857 82.1977 -270.821 63.5566 160.074 68.2512 -56.2151 PRESSAVG: 4124600 -14.9601 -70.6092 -2.78578 -70.6093 34.3069 -21.4646 -2.78582 -21.4646 27.0781 GPRESSAVG: 4124600 -15.6423 -68.925 -3.2189 -74.4397 35.7139 -23.9216 -4.74407 -23.2046 26.4653 TIMING: 4124600 CPU: 13094.5, 0.00314828/step Wall: 13094.5, 0.00314828/step, 0.765557 hours remaining, 239.324219 MB of memory in use. ENERGY: 4124600 4088.5812 20588.4352 14484.6281 249.4279 -203729.4624 2577.9292 0.0000 0.0000 52020.9173 -109719.5435 298.9649 -161740.4608 -109365.8972 299.2877 -161.6733 -132.1310 761149.0552 15.4750 15.5123 PRESSURE: 4124800 128.622 -188.091 -138.77 -188.092 -215.426 199.569 -138.771 199.57 -1.09259 GPRESSURE: 4124800 124.208 -128.935 -116.356 -147.613 -191.032 263.254 -15.7236 47.1044 40.1144 PRESSAVG: 4124800 44.402 -94.9464 47.8156 -94.9466 -9.26101 -14.6705 47.8156 -14.6705 12.0626 GPRESSAVG: 4124800 43.6147 -96.6504 47.1635 -90.8866 -8.69184 -12.4805 52.0987 -11.8796 12.0318 TIMING: 4124800 CPU: 13095.1, 0.00314251/step Wall: 13095.1, 0.00314251/step, 0.763979 hours remaining, 239.324219 MB of memory in use. ENERGY: 4124800 3965.7530 20596.1965 14466.2046 246.3256 -203403.4888 2538.6949 0.0000 0.0000 51998.5886 -109591.7256 298.8366 -161590.3142 -109214.2263 299.3683 -29.2991 -8.9032 760288.5006 15.7345 15.6516 PRESSURE: 4125000 -134.083 -29.5989 -12.3766 -29.5986 -66.9875 -20.4905 -12.3764 -20.491 81.0663 GPRESSURE: 4125000 -63.2278 41.5401 -31.1516 67.063 -105.097 12.0908 11.6212 -68.0336 153.38 PRESSAVG: 4125000 -30.6018 -32.4738 36.6025 -32.4739 70.5057 -1.2402 36.6026 -1.24018 10.6063 GPRESSAVG: 4125000 -29.8215 -31.7031 37.252 -31.6754 68.8084 -4.87385 35.796 -1.76536 11.4988 TIMING: 4125000 CPU: 13095.8, 0.00312322/step Wall: 13095.8, 0.00312322/step, 0.759117 hours remaining, 239.324219 MB of memory in use. ENERGY: 4125000 3969.9410 20316.7848 14491.7566 239.4228 -203579.6256 2652.8034 0.0000 0.0000 52299.9387 -109608.9782 300.5685 -161908.9169 -109237.8479 299.0254 -40.0014 -4.9817 761614.6138 16.8367 16.8286 PRESSURE: 4125200 -141.813 -11.9126 97.0397 -11.9122 -15.0126 -160.649 97.039 -160.65 -20.2799 GPRESSURE: 4125200 -79.981 -70.6163 146.238 -41.8629 13.3199 -172.869 -65.1348 -82.3316 -4.27496 PRESSAVG: 4125200 4.51898 -19.3324 -31.3421 -19.3325 44.7117 73.6889 -31.3422 73.6889 4.53359 GPRESSAVG: 4125200 4.54918 -20.014 -29.5509 -20.6695 45.4812 75.9267 -33.5306 75.2111 3.94864 TIMING: 4125200 CPU: 13096.4, 0.00314702/step Wall: 13096.4, 0.00314702/step, 0.764727 hours remaining, 239.324219 MB of memory in use. ENERGY: 4125200 3949.7923 20631.2996 14443.7681 263.8387 -203208.0651 2446.9036 0.0000 0.0000 52129.9737 -109342.4892 299.5917 -161472.4629 -108983.9650 299.5904 -59.0353 -23.6454 760764.9029 17.9214 17.9930 PRESSURE: 4125400 107.172 -81.5806 108.76 -81.5805 -143.145 93.9143 108.759 93.9132 303.414 GPRESSURE: 4125400 112.024 -36.3599 114.133 -24.1295 -130.207 150.153 -39.5468 57.4227 346.985 PRESSAVG: 4125400 18.8542 -21.5599 -26.9765 -21.5598 -26.0649 -0.0416918 -26.9765 -0.0416896 -18.8902 GPRESSAVG: 4125400 18.8802 -21.8321 -29.724 -22.9487 -26.0582 0.785687 -26.134 -3.22833 -19.298 TIMING: 4125400 CPU: 13097, 0.00314131/step Wall: 13097, 0.00314131/step, 0.763164 hours remaining, 239.324219 MB of memory in use. ENERGY: 4125400 4004.3559 20482.8755 14496.9783 238.6988 -202950.6816 2313.6784 0.0000 0.0000 52012.3717 -109401.7230 298.9158 -161414.0946 -109047.6034 299.5904 89.1470 109.6008 762266.3606 -8.7003 -8.8253 PRESSURE: 4125600 80.3992 -146.629 -139.273 -146.629 -237.652 357.976 -139.273 357.975 79.0218 GPRESSURE: 4125600 88.6989 -109.685 -164.581 -52.4667 -162.523 294.742 -140.294 414.742 67.4353 PRESSAVG: 4125600 4.85791 -2.95661 -46.1634 -2.95655 -24.7858 8.74269 -46.1633 8.7427 -16.2755 GPRESSAVG: 4125600 5.2802 -3.4282 -46.1183 -0.129102 -24.1075 7.33683 -45.1138 11.8607 -17.3536 TIMING: 4125600 CPU: 13097.7, 0.00312647/step Wall: 13097.7, 0.00312647/step, 0.759384 hours remaining, 239.324219 MB of memory in use. ENERGY: 4125600 4032.8897 20592.5299 14441.4358 236.0789 -203404.3127 2507.7221 0.0000 0.0000 52164.3821 -109429.2742 299.7894 -161593.6563 -109065.2650 299.3338 -26.0769 -2.1295 762779.2678 -12.0678 -12.0603 PRESSURE: 4125800 -140.673 -73.4998 -275.564 -73.5003 50.1156 210.727 -275.564 210.727 -180.609 GPRESSURE: 4125800 -126.203 -110.755 -209.843 -10.2256 131.936 154.641 -479.996 130.314 -207.542 PRESSAVG: 4125800 27.8233 -28.2391 11.0756 -28.2391 19.2951 3.77481 11.0756 3.77477 12.4755 GPRESSAVG: 4125800 27.823 -26.1967 10.3197 -31.1954 18.6583 3.58808 11.1285 2.26474 12.9133 TIMING: 4125800 CPU: 13098.3, 0.00315037/step Wall: 13098.3, 0.00315037/step, 0.765015 hours remaining, 239.324219 MB of memory in use. ENERGY: 4125800 4040.7629 20402.6553 14484.7414 232.9303 -203412.1390 2731.0596 0.0000 0.0000 51990.9043 -109529.0854 298.7924 -161519.9897 -109176.9365 299.8159 -90.3890 -67.2696 762060.1557 19.8646 19.7982 PRESSURE: 4126000 265.141 -197.01 193.643 -197.01 38.2787 102.663 193.644 102.663 -251 GPRESSURE: 4126000 283.553 -175.345 168.38 -87.8765 57.571 43.8153 87.0815 152.217 -209.785 PRESSAVG: 4126000 -5.13861 -28.6606 34.8197 -28.6606 10.9327 74.2292 34.8197 74.2292 1.02087 GPRESSAVG: 4126000 -6.81117 -30.6094 36.697 -26.9846 11.5634 73.2839 33.4832 74.345 1.92561 TIMING: 4126000 CPU: 13098.9, 0.00316618/step Wall: 13098.9, 0.00316618/step, 0.768679 hours remaining, 239.324219 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: 4126000 3959.6264 20497.5078 14521.2713 256.5365 -203204.7229 2510.9526 0.0000 0.0000 51797.0078 -109661.8205 297.6781 -161458.8283 -109296.8265 298.9204 17.4734 43.7795 759853.3311 2.2717 2.2259 PRESSURE: 4126200 -4.01959 -223.657 39.307 -223.657 -54.9911 -215.464 39.3065 -215.465 -76.555 GPRESSURE: 4126200 55.0385 -227.901 72.3965 -276.593 -53.6921 -262.667 8.10736 -198.592 -30.0526 PRESSAVG: 4126200 40.3113 -58.368 7.43485 -58.368 -20.4692 28.9906 7.43487 28.9906 -9.75414 GPRESSAVG: 4126200 42.4585 -58.8438 7.7677 -59.0535 -22.0433 31.2654 8.49034 28.3719 -10.011 TIMING: 4126200 CPU: 13099.5, 0.00315132/step Wall: 13099.5, 0.00315132/step, 0.764896 hours remaining, 239.324219 MB of memory in use. ENERGY: 4126200 3978.4858 20493.8193 14431.4446 234.9040 -203512.6329 2623.8783 0.0000 0.0000 52123.5143 -109626.5864 299.5546 -161750.1008 -109273.5425 299.1733 -45.1886 -9.5687 761826.3594 3.3627 3.4680 PRESSURE: 4126400 349.939 -165.097 16.6659 -165.098 290.51 217.916 16.665 217.916 175.725 GPRESSURE: 4126400 257.788 -165.227 -30.3145 -183.113 451.762 157.931 117.641 127.407 193.976 PRESSAVG: 4126400 30.3523 -76.572 -11.0772 -76.5721 -15.7582 -76.8039 -11.0772 -76.8039 30.1608 GPRESSAVG: 4126400 28.5326 -75.6307 -12.5423 -75.7907 -14.699 -77.4704 -10.3802 -76.2104 30.2748 TIMING: 4126400 CPU: 13100.2, 0.00313023/step Wall: 13100.2, 0.00313023/step, 0.759603 hours remaining, 239.324219 MB of memory in use. ENERGY: 4126400 3962.7740 20423.6324 14463.2088 236.5992 -202987.2516 2422.0506 0.0000 0.0000 52021.3924 -109457.5941 298.9677 -161478.9865 -109092.0787 299.2654 272.0579 301.1753 761427.2450 14.9183 14.7028 PRESSURE: 4126600 -422.298 23.0017 9.02973 23.0017 -145.404 -88.6149 9.02967 -88.6159 -256.794 GPRESSURE: 4126600 -390.464 3.13732 108.126 -33.0949 -104.406 -97.7601 38.5372 -47.377 -260.448 PRESSAVG: 4126600 -53.1911 -56.8799 21.5557 -56.8799 24.6299 19.7899 21.5557 19.7898 -2.02728 GPRESSAVG: 4126600 -53.4451 -56.3594 23.3965 -57.124 25.3533 18.6867 21.8395 20.6975 -3.0075 TIMING: 4126600 CPU: 13100.8, 0.00315665/step Wall: 13100.8, 0.00315665/step, 0.765839 hours remaining, 239.324219 MB of memory in use. ENERGY: 4126600 3999.4087 20603.2542 14458.4175 248.8780 -203076.3368 2127.0511 0.0000 0.0000 52182.6421 -109456.6852 299.8944 -161639.3273 -109096.7277 299.8420 -274.8323 -251.7730 761448.5212 -10.1961 -10.3665 PRESSURE: 4126800 119.552 199.281 43.2782 199.282 178.151 422.923 43.2769 422.923 175.503 GPRESSURE: 4126800 136.146 113.96 86.5007 67.6415 197.953 409.252 34.5578 228.489 225.597 PRESSAVG: 4126800 -72.7485 -0.165388 9.16041 -0.165445 53.6408 25.8023 9.16035 25.8023 24.7556 GPRESSAVG: 4126800 -72.332 0.405745 7.93061 -0.95178 52.3904 26.9202 10.596 21.7202 25.4549 TIMING: 4126800 CPU: 13101.4, 0.00316601/step Wall: 13101.4, 0.00316601/step, 0.767933 hours remaining, 239.324219 MB of memory in use. ENERGY: 4126800 3976.0348 20607.5550 14462.2323 243.1749 -203341.0215 2616.7492 0.0000 0.0000 51969.7974 -109465.4780 298.6711 -161435.2754 -109095.7705 299.7315 157.7356 186.5655 761398.0829 1.8827 1.8378 PRESSURE: 4127000 87.9489 -26.6182 87.0732 -26.6184 108.785 -71.1451 87.0727 -71.1455 -252.337 GPRESSURE: 4127000 52.0959 -3.06362 19.5099 -61.0907 216.146 -21.702 121.778 29.8763 -236.359 PRESSAVG: 4127000 -35.514 -39.98 8.18662 -39.98 35.5048 -9.77632 8.18669 -9.77625 12.3447 GPRESSAVG: 4127000 -36.6628 -40.1852 7.79053 -39.4098 37.1131 -8.71535 9.36328 -7.12319 11.7427 TIMING: 4127000 CPU: 13102.1, 0.00312472/step Wall: 13102.1, 0.00312472/step, 0.757744 hours remaining, 239.324219 MB of memory in use. ENERGY: 4127000 3942.9885 20631.0193 14504.2955 233.1255 -203860.1227 2786.2560 0.0000 0.0000 52048.9885 -109713.4495 299.1263 -161762.4380 -109344.6404 299.3005 -18.5343 10.6275 761232.2602 4.1118 4.0643 PRESSURE: 4127200 -350.283 -206.736 155.75 -206.736 63.1225 -48.9455 155.75 -48.9444 244.883 GPRESSURE: 4127200 -193.246 -102.654 269.637 -206.981 -47.6595 -104.157 206.469 18.1427 289.594 PRESSAVG: 4127200 -17.0882 -8.77292 -19.5969 -8.77289 31.8824 -48.1523 -19.5969 -48.1523 -20.6458 GPRESSAVG: 4127200 -15.792 -8.78046 -17.7195 -10.317 31.0454 -49.1597 -22.6728 -47.4878 -20.9824 TIMING: 4127200 CPU: 13102.7, 0.00312367/step Wall: 13102.7, 0.00312367/step, 0.757315 hours remaining, 239.324219 MB of memory in use. ENERGY: 4127200 4013.8200 20544.1693 14426.1945 249.5903 -203687.1756 2608.7224 0.0000 0.0000 51995.1951 -109849.4841 298.8171 -161844.6792 -109493.5370 298.7876 -14.0924 16.2296 761091.2514 -1.9505 -1.9097 PRESSURE: 4127400 -49.3193 -348.541 -36.9628 -348.54 46.0984 36.8579 -36.9625 36.8569 77.5702 GPRESSURE: 4127400 -28.1984 -225.378 -46.1393 -307.834 106.662 39.9892 -25.1948 -106.384 66.2121 PRESSAVG: 4127400 -50.8011 -19.7659 4.78092 -19.7659 34.8201 -15.784 4.78089 -15.7841 2.59256 GPRESSAVG: 4127400 -52.3675 -20.4257 2.35669 -16.7344 35.0538 -14.8361 5.0423 -17.287 3.47348 TIMING: 4127400 CPU: 13103.3, 0.00311404/step Wall: 13103.3, 0.00311404/step, 0.754808 hours remaining, 239.324219 MB of memory in use. ENERGY: 4127400 3930.6972 20574.2993 14451.3656 241.4401 -203744.7300 2687.1176 0.0000 0.0000 52157.7569 -109702.0533 299.7513 -161859.8102 -109338.5548 299.0518 24.7831 48.2253 761826.9158 -4.4628 -4.6134 PRESSURE: 4127600 -67.1581 182.004 269.963 182.004 -114.209 -6.07693 269.964 -6.07582 224.668 GPRESSURE: 4127600 12.691 187.093 303.712 142.776 -68.3047 21.0629 136.466 15.088 192.01 PRESSAVG: 4127600 -70.3813 27.104 2.02643 27.1039 36.9533 -16.4361 2.02647 -16.4361 0.773794 GPRESSAVG: 4127600 -69.0338 27.1853 3.66973 26.8304 36.4023 -17.4102 2.49181 -13.8336 0.54351 TIMING: 4127600 CPU: 13103.9, 0.00311778/step Wall: 13103.9, 0.00311778/step, 0.755542 hours remaining, 239.324219 MB of memory in use. ENERGY: 4127600 3945.4996 20489.8625 14437.2309 247.0216 -203363.8100 2492.7392 0.0000 0.0000 51959.7001 -109791.7561 298.6131 -161751.4562 -109420.1899 299.0972 14.4334 45.4653 760583.7794 -10.8847 -10.6960 PRESSURE: 4127800 -301.771 0.79472 188.985 0.794291 -65.252 203.083 188.985 203.084 -17.5371 GPRESSURE: 4127800 -271.26 -75.3106 214.266 -99.2374 -28.5352 251.156 222.92 271.647 -29.2518 PRESSAVG: 4127800 -43.4333 -3.95227 31.477 -3.95224 80.592 7.77336 31.477 7.77329 17.6393 GPRESSAVG: 4127800 -43.8117 -4.14603 30.182 -6.72393 80.6891 7.51212 31.1282 5.42796 17.9968 TIMING: 4127800 CPU: 13104.6, 0.00311407/step Wall: 13104.6, 0.00311407/step, 0.75447 hours remaining, 239.324219 MB of memory in use. ENERGY: 4127800 3993.9058 20491.9780 14457.2591 260.6153 -203336.0253 2475.6453 0.0000 0.0000 51866.6197 -109790.0022 298.0782 -161656.6219 -109431.6671 298.7137 -128.1866 -109.6823 761288.1904 18.2660 18.2914 PRESSURE: 4128000 203.821 70.0941 -40.484 70.0947 -97.1324 -35.9503 -40.4831 -35.9507 85.7232 GPRESSURE: 4128000 194.446 -15.9322 9.79485 58.8747 -73.3807 -21.2624 -99.3356 9.01964 158.991 PRESSAVG: 4128000 -11.3973 -34.3517 -2.78668 -34.3517 8.80869 4.93957 -2.78673 4.9396 5.72493 GPRESSAVG: 4128000 -11.7617 -34.9884 -3.13241 -32.3351 8.44983 4.45321 -2.93496 5.63358 6.36387 TIMING: 4128000 CPU: 13105.2, 0.00313141/step Wall: 13105.2, 0.00313141/step, 0.758498 hours remaining, 239.324219 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: 4128000 3997.9913 20489.2050 14488.6728 249.9746 -203412.7394 2356.5724 0.0000 0.0000 52101.4650 -109728.8582 299.4278 -161830.3233 -109370.3900 299.1443 64.1374 93.3521 760954.9162 1.0454 1.0173 PRESSURE: 4128200 -332.228 -33.4497 -124.562 -33.4494 -163.761 364.586 -124.562 364.586 -609.315 GPRESSURE: 4128200 -361.036 -5.63484 -155.486 -73.4628 -76.9256 342.144 -191.057 243.038 -570.997 PRESSAVG: 4128200 38.5882 12.1881 24.1615 12.188 -7.08481 2.69361 24.1615 2.69364 -5.51112 GPRESSAVG: 4128200 39.071 12.7192 24.0924 11.972 -7.22769 2.6331 24.8604 1.91559 -5.54074 TIMING: 4128200 CPU: 13105.8, 0.00313853/step Wall: 13105.8, 0.00313853/step, 0.760046 hours remaining, 239.324219 MB of memory in use. ENERGY: 4128200 4000.2226 20296.7957 14490.5944 238.3888 -203425.8083 2525.9523 0.0000 0.0000 52125.0812 -109748.7733 299.5636 -161873.8544 -109393.4325 299.1972 -368.4349 -336.3197 760962.0346 8.6641 8.7675 LDB: ============= START OF LOAD BALANCING ============== 13118.3 LDB: ============== END OF LOAD BALANCING =============== 13118.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13118.3 LDB: ============= START OF LOAD BALANCING ============== 13118.6 LDB: Largest compute 7056 load 0.036370 is 18.6% of average load 0.195423 LDB: Average compute 0.004404 is 2.3% of average load 0.195423 LDB: TIME 13118.6 LOAD: AVG 0.195423 MAX 0.217545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 13118.6 LOAD: AVG 0.195423 MAX 0.217545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 13118.6 LOAD: AVG 0.195423 MAX 0.217545 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 13118.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13118.6 PRESSURE: 4128400 256.899 -142.83 -93.2012 -142.829 56.8873 282.15 -93.2013 282.149 543.854 GPRESSURE: 4128400 309.039 -162.71 -108.909 -93.1967 66.5976 360.918 -98.375 257.773 557.943 PRESSAVG: 4128400 32.2016 -27.5365 -39.4636 -27.5365 -7.22341 16.0154 -39.4636 16.0154 5.79441 GPRESSAVG: 4128400 31.9377 -26.1889 -40.074 -27.4458 -6.94146 15.5033 -39.2022 16.5679 5.24677 TIMING: 4128400 CPU: 13106.5, 0.00320661/step Wall: 13106.5, 0.00320661/step, 0.776356 hours remaining, 240.808594 MB of memory in use. ENERGY: 4128400 3965.1464 20316.7817 14369.8885 255.2568 -203684.7632 2808.3719 0.0000 0.0000 52073.2768 -109896.0410 299.2658 -161969.3178 -109537.9386 298.7966 285.8802 311.1933 759403.6633 10.2575 10.0810 PRESSURE: 4128600 -92.0726 -149.121 64.5367 -149.122 -64.4125 36.5783 64.5365 36.5786 -209.192 GPRESSURE: 4128600 -0.738775 -80.533 164.413 -173.1 -56.666 85.7965 79.3641 7.11292 -226.938 PRESSAVG: 4128600 30.0512 -43.6504 27.3899 -43.6504 -84.0259 38.5463 27.3899 38.5463 21.4166 GPRESSAVG: 4128600 29.794 -43.6359 29.0037 -44.8247 -84.2744 39.2992 24.8431 39.1809 21.7051 TIMING: 4128600 CPU: 13107.1, 0.00315065/step Wall: 13107.1, 0.00315065/step, 0.762632 hours remaining, 240.808594 MB of memory in use. ENERGY: 4128600 3921.9195 20524.2454 14428.1705 258.6168 -202992.2002 2314.3383 0.0000 0.0000 51746.5985 -109798.3111 297.3884 -161544.9096 -109443.9735 298.4460 -121.8925 -94.7809 760599.9575 -10.8527 -10.9251 PRESSURE: 4128800 -124.663 -181.902 -75.4612 -181.902 -165.379 220.586 -75.4615 220.585 148.379 GPRESSURE: 4128800 -125.042 -206.51 -137.239 -83.8878 -149.247 213.145 -197.155 294.302 203.078 PRESSAVG: 4128800 10.1889 -59.4034 -19.9243 -59.4034 -0.795882 30.5567 -19.9243 30.5567 12.3325 GPRESSAVG: 4128800 10.6634 -60.3218 -20.632 -59.8572 -0.226351 28.811 -17.9167 30.3914 11.578 TIMING: 4128800 CPU: 13107.7, 0.00315839/step Wall: 13107.7, 0.00315839/step, 0.764329 hours remaining, 240.808594 MB of memory in use. ENERGY: 4128800 3979.2142 20644.3189 14494.8861 237.5505 -203629.0454 2361.5547 0.0000 0.0000 52105.8029 -109805.7181 299.4528 -161911.5209 -109444.2884 299.0540 -47.2208 -23.7371 761244.2005 7.2418 7.3383 PRESSURE: 4129000 155.095 116.221 -299.439 116.221 222.497 -182.843 -299.44 -182.843 -348.829 GPRESSURE: 4129000 199.867 133.004 -278.762 43.1219 193.454 -204.513 -135.271 -97.6064 -274.684 PRESSAVG: 4129000 2.4923 -78.531 -18.0302 -78.531 -12.6036 60.526 -18.0303 60.5259 -14.9208 GPRESSAVG: 4129000 3.09303 -79.467 -16.8651 -77.3912 -13.8385 60.9315 -17.589 61.0273 -14.8946 TIMING: 4129000 CPU: 13108.3, 0.00314659/step Wall: 13108.3, 0.00314659/step, 0.7613 hours remaining, 240.808594 MB of memory in use. ENERGY: 4129000 3901.1597 20719.7149 14472.0894 290.9029 -203767.9997 2666.4648 0.0000 0.0000 51922.1403 -109795.5278 298.3973 -161717.6680 -109431.2072 298.9969 9.5874 39.5455 759807.6687 -8.3440 -8.5467 PRESSURE: 4129200 -224.47 13.3326 -122.827 13.3332 -19.4487 130.052 -122.826 130.051 84.3542 GPRESSURE: 4129200 -159.701 60.9719 -107.726 -73.6083 -64.7066 107.638 0.161191 165.254 151.476 PRESSAVG: 4129200 -11.1187 -50.7768 -3.94555 -50.7768 21.2194 17.3527 -3.94554 17.3526 9.9908 GPRESSAVG: 4129200 -12.8137 -49.7823 -3.44522 -50.6222 21.8411 18.7667 -2.36365 17.6804 11.396 TIMING: 4129200 CPU: 13109, 0.0031524/step Wall: 13109, 0.0031524/step, 0.76253 hours remaining, 240.808594 MB of memory in use. ENERGY: 4129200 3977.8137 20527.0567 14465.7577 243.8469 -203551.2539 2407.5683 0.0000 0.0000 52133.5805 -109795.6302 299.6124 -161929.2106 -109447.0356 298.4887 -53.1882 -24.3106 760876.7917 6.6972 6.8078 PRESSURE: 4129400 -321.217 -94.7172 41.9229 -94.7165 -261.613 104.677 41.9229 104.678 -339.642 GPRESSURE: 4129400 -227.382 -95.3352 50.5454 -140.65 -287.977 101.844 11.8697 -14.5637 -304.055 PRESSAVG: 4129400 -54.8642 -59.9058 5.2295 -59.9058 56.8666 -51.1524 5.22951 -51.1525 -0.72392 GPRESSAVG: 4129400 -53.4485 -61.4356 3.23928 -59.0893 56.5401 -50.8811 4.97884 -51.9342 -1.41834 TIMING: 4129400 CPU: 13109.6, 0.00312471/step Wall: 13109.6, 0.00312471/step, 0.755658 hours remaining, 240.808594 MB of memory in use. ENERGY: 4129400 3977.8208 20705.4799 14468.9014 241.8833 -203043.1491 2169.0494 0.0000 0.0000 51872.7762 -109607.2381 298.1136 -161480.0142 -109245.0195 298.7115 -307.4907 -273.1380 760948.7972 0.4261 0.5578 PRESSURE: 4129600 408.628 -170.369 40.3678 -170.369 -132.449 -133.551 40.3676 -133.551 553.924 GPRESSURE: 4129600 344.823 -85.1399 41.3074 -132.538 -45.9675 -119.623 -3.28508 -97.3652 603.103 PRESSAVG: 4129600 74.6273 -6.29131 -48.9341 -6.29138 -55.822 -16.09 -48.9341 -16.0901 -13.8706 GPRESSAVG: 4129600 75.1745 -4.25702 -46.7021 -7.48841 -55.6401 -17.2385 -50.7667 -16.0044 -14.7532 TIMING: 4129600 CPU: 13110.2, 0.00315614/step Wall: 13110.2, 0.00315614/step, 0.763085 hours remaining, 240.808594 MB of memory in use. ENERGY: 4129600 3941.1929 20705.1799 14525.3559 241.8658 -203759.6006 2685.6973 0.0000 0.0000 52037.9943 -109622.3144 299.0631 -161660.3087 -109266.4404 299.4421 276.7010 300.6527 760182.6724 1.6449 1.5937 PRESSURE: 4129800 -128.512 101.797 -178.711 101.796 -66.8634 108.963 -178.711 108.964 -315.123 GPRESSURE: 4129800 -132.414 100.888 -227.951 101.215 22.0277 89.5945 -54.2586 120.833 -309.499 PRESSAVG: 4129800 3.55549 6.89953 -6.30228 6.89941 -23.1655 -11.7125 -6.30238 -11.7126 -17.356 GPRESSAVG: 4129800 1.919 7.48261 -6.54714 6.01339 -22.7931 -12.0034 -5.45133 -14.1404 -16.4448 TIMING: 4129800 CPU: 13110.9, 0.00314128/step Wall: 13110.9, 0.00314128/step, 0.759316 hours remaining, 240.808594 MB of memory in use. ENERGY: 4129800 4079.6044 20694.0710 14483.8806 246.7276 -203682.2000 2558.3681 0.0000 0.0000 51923.3462 -109696.2021 298.4042 -161619.5483 -109341.8272 299.5724 -170.1662 -139.9618 761308.0767 -12.3220 -12.4397 PRESSURE: 4130000 29.6635 10.2069 71.0724 10.2068 -137.799 83.937 71.0732 83.9366 115.639 GPRESSURE: 4130000 72.1955 -4.18148 13.7806 -111.673 -104.867 -0.0146051 8.08535 123.026 142.741 PRESSAVG: 4130000 -9.01682 15.0854 -13.7969 15.0854 31.9064 19.2163 -13.7968 19.2163 18.062 GPRESSAVG: 4130000 -8.18236 12.9251 -15.4749 16.2918 31.0125 20.3863 -14.374 20.1905 18.7869 TIMING: 4130000 CPU: 13111.5, 0.00313244/step Wall: 13111.5, 0.00313244/step, 0.757007 hours remaining, 240.808594 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: 4130000 3951.5934 20522.3939 14450.5500 247.1475 -203817.5894 2703.8655 0.0000 0.0000 52276.6375 -109665.4016 300.4346 -161942.0391 -109287.9416 299.4232 2.5012 36.6901 759779.8050 13.6505 13.8724 PRESSURE: 4130200 -99.1566 -115 -67.7799 -115 144.88 17.9871 -67.7797 17.9864 66.1201 GPRESSURE: 4130200 -9.07059 23.5663 -22.3219 -193.891 216.891 2.7372 -46.8105 98.9718 17 PRESSAVG: 4130200 -54.5679 -4.29236 11.9572 -4.29233 -9.24799 8.17605 11.9572 8.17603 5.24098 GPRESSAVG: 4130200 -54.9014 -3.561 12.6554 -5.01999 -8.97589 7.00996 11.8562 10.1736 4.88086 TIMING: 4130200 CPU: 13112.1, 0.00313337/step Wall: 13112.1, 0.00313337/step, 0.757057 hours remaining, 240.808594 MB of memory in use. ENERGY: 4130200 3997.3229 20513.6127 14431.5820 272.0320 -203659.7245 2702.7279 0.0000 0.0000 52031.2116 -109711.2355 299.0241 -161742.4471 -109350.7021 299.1914 37.2811 74.9402 759972.7809 -19.5250 -19.6655 PRESSURE: 4130400 8.22795 -292.132 -44.9555 -292.132 -33.7536 33.9798 -44.9549 33.9795 394.019 GPRESSURE: 4130400 -52.1527 -351.483 -21.3235 -174.465 79.9084 52.9659 -16.6792 67.8603 423.086 PRESSAVG: 4130400 15.6151 -46.1973 -5.31893 -46.1973 -26.9543 18.2767 -5.31897 18.2767 0.550802 GPRESSAVG: 4130400 15.338 -45.4965 -5.65288 -44.0644 -26.0627 18.6813 -4.22415 17.157 -0.397045 TIMING: 4130400 CPU: 13112.7, 0.00313595/step Wall: 13112.7, 0.00313595/step, 0.757506 hours remaining, 240.808594 MB of memory in use. ENERGY: 4130400 4027.3256 20525.8920 14446.9183 251.2120 -203393.7654 2490.9210 0.0000 0.0000 51845.2999 -109806.1965 297.9557 -161651.4964 -109447.3321 298.8339 122.8311 150.2807 760873.3780 -3.5961 -3.7072 PRESSURE: 4130600 -87.4537 -78.6038 3.71107 -78.6042 -258.843 -19.2098 3.71071 -19.2088 -341.675 GPRESSURE: 4130600 -103.604 -69.3163 6.52271 -108.079 -164.473 -26.2551 -31.074 -19.0337 -336.99 PRESSAVG: 4130600 -14.635 -25.1337 18.9654 -25.1337 15.8031 17.0547 18.9653 17.0546 -24.4643 GPRESSAVG: 4130600 -14.0322 -25.8836 18.363 -28.5099 14.7392 16.4052 18.6279 17.4971 -23.7857 TIMING: 4130600 CPU: 13113.4, 0.003127/step Wall: 13113.4, 0.003127/step, 0.75517 hours remaining, 240.808594 MB of memory in use. ENERGY: 4130600 4085.0746 20524.5364 14425.6869 234.6137 -203499.0210 2451.9403 0.0000 0.0000 51953.9845 -109823.1845 298.5803 -161777.1690 -109459.8851 298.8738 -229.3239 -201.6890 759872.1093 -7.7654 -7.6929 PRESSURE: 4130800 -314.555 -114.726 67.3231 -114.725 -211.233 97.6476 67.3234 97.6463 -292.014 GPRESSURE: 4130800 -183.696 -97.0633 79.1199 -35.6822 -214.465 77.4598 40.7065 81.5669 -324.732 PRESSAVG: 4130800 -35.2558 14.7441 -7.66623 14.744 56.6006 15.5021 -7.66621 15.5021 42.7966 GPRESSAVG: 4130800 -33.9487 13.697 -7.31755 15.6349 55.4278 16.322 -8.75847 16.6486 42.7326 TIMING: 4130800 CPU: 13114, 0.0031108/step Wall: 13114, 0.0031108/step, 0.751085 hours remaining, 240.808594 MB of memory in use. ENERGY: 4130800 4000.3657 20399.9796 14443.0528 244.2337 -203622.3726 2477.9616 0.0000 0.0000 52075.9290 -109980.8503 299.2811 -162056.7792 -109614.0361 299.4366 -272.6005 -240.9643 759855.5192 21.3805 21.4039 PRESSURE: 4131000 -167.773 180.727 -3.89283 180.727 -458.166 -163.187 -3.89365 -163.186 -259.156 GPRESSURE: 4131000 -209.514 105.816 67.4894 198.052 -352.255 -184.566 51.7871 -41.5302 -234.161 PRESSAVG: 4131000 16.4891 -9.57948 3.49871 -9.57947 -37.9031 35.8826 3.49875 35.8826 -8.43059 GPRESSAVG: 4131000 15.7586 -9.83769 4.03574 -9.02807 -36.4279 36.3379 4.3995 36.8789 -8.65224 TIMING: 4131000 CPU: 13114.6, 0.00310875/step Wall: 13114.6, 0.00310875/step, 0.750419 hours remaining, 240.808594 MB of memory in use. ENERGY: 4131000 3939.4945 20466.4262 14480.2979 242.3176 -203322.8679 2273.2390 0.0000 0.0000 52008.0032 -109913.0895 298.8907 -161921.0927 -109545.5115 298.8511 -295.0313 -265.3100 761461.8409 -9.9482 -9.7739 PRESSURE: 4131200 -248.739 91.1413 -10.2929 91.1413 -316.949 -47.3818 -10.2927 -47.3823 -339.248 GPRESSURE: 4131200 -316.5 55.388 27.3021 100.601 -182.381 14.7372 -104.448 -138.809 -307.01 PRESSAVG: 4131200 8.70174 62.6644 -2.90213 62.6644 27.8707 -17.6718 -2.90219 -17.6718 -4.38167 GPRESSAVG: 4131200 7.56117 64.6658 -3.62765 62.902 28.6771 -17.5394 -3.89667 -21.1174 -4.23174 TIMING: 4131200 CPU: 13115.2, 0.00310593/step Wall: 13115.2, 0.00310593/step, 0.749564 hours remaining, 240.808594 MB of memory in use. ENERGY: 4131200 3970.6953 20615.0250 14469.5208 252.9571 -203335.9735 2275.4905 0.0000 0.0000 51948.6605 -109803.6245 298.5497 -161752.2849 -109444.7933 299.5357 -301.6451 -268.6307 759471.1316 10.7302 10.6688 PRESSURE: 4131400 -5.14488 -74.9342 -7.04269 -74.9344 -29.6902 62.5983 -7.0431 62.5983 -365.876 GPRESSURE: 4131400 -15.1998 -45.6766 1.14026 78.2954 -8.80696 72.7056 -114.049 14.7192 -303.65 PRESSAVG: 4131400 -27.9655 37.3844 13.3721 37.3844 54.9661 9.46096 13.3721 9.46094 4.90587 GPRESSAVG: 4131400 -26.8294 37.5558 13.909 37.5586 54.7135 10.3698 14.8618 10.2365 3.87596 TIMING: 4131400 CPU: 13115.9, 0.0031001/step Wall: 13115.9, 0.0031001/step, 0.747985 hours remaining, 240.808594 MB of memory in use. ENERGY: 4131400 3958.8353 20642.9341 14490.6608 255.0438 -203634.7273 2553.5891 0.0000 0.0000 51922.6817 -109810.9824 298.4004 -161733.6642 -109446.8283 299.3992 -133.5705 -109.2190 759269.3325 10.6355 10.5867 PRESSURE: 4131600 -41.3483 -23.1765 -8.12072 -23.1771 -239.543 -53.0088 -8.12102 -53.0099 66.9974 GPRESSURE: 4131600 -66.5624 -78.6161 -35.432 -71.5712 -172.529 -57.6031 21.7977 -33.2926 100.376 PRESSAVG: 4131600 51.3547 -14.222 -38.0894 -14.222 -65.1159 5.74972 -38.0894 5.74975 -7.73555 GPRESSAVG: 4131600 51.3678 -14.3568 -38.5064 -14.4693 -65.942 4.53403 -37.7453 4.75889 -6.60054 TIMING: 4131600 CPU: 13116.5, 0.00311969/step Wall: 13116.5, 0.00311969/step, 0.752539 hours remaining, 240.808594 MB of memory in use. ENERGY: 4131600 4071.2195 20377.2838 14399.8396 255.9817 -203715.7611 2784.4460 0.0000 0.0000 51858.5323 -109968.4582 298.0317 -161826.9904 -109610.4126 298.8905 -71.2981 -46.2385 760902.5688 -7.1656 -7.0583 PRESSURE: 4131800 320.745 -125.52 -2.5568 -125.521 -108.739 -50.0678 -2.55689 -50.0683 -4.2844 GPRESSURE: 4131800 291.337 -161.457 5.76795 -83.1568 44.0364 -57.2642 8.17874 28.1617 -25.0109 PRESSAVG: 4131800 43.2876 -38.9212 -7.46605 -38.9212 -49.3053 -8.30299 -7.46604 -8.30296 10.4966 GPRESSAVG: 4131800 42.7211 -41.6232 -7.6413 -37.6851 -48.346 -8.58734 -5.65983 -5.23783 9.93655 TIMING: 4131800 CPU: 13117.1, 0.00311381/step Wall: 13117.1, 0.00311381/step, 0.750948 hours remaining, 240.808594 MB of memory in use. ENERGY: 4131800 3961.3337 20405.3275 14435.7130 248.7305 -202788.8686 1976.2954 0.0000 0.0000 51847.3173 -109914.1512 297.9672 -161761.4685 -109550.5414 298.6025 69.2405 103.4542 760181.6909 1.4930 1.4372 PRESSURE: 4132000 190.373 62.148 37.43 62.1477 157.077 140.992 37.4308 140.992 -292.999 GPRESSURE: 4132000 233.892 144.708 36.6556 116.964 164.904 151.323 -63.15 144.705 -269.128 PRESSAVG: 4132000 5.20211 -31.7622 -31.5677 -31.7622 -7.9777 -11.7317 -31.5677 -11.7317 -8.74649 GPRESSAVG: 4132000 5.46323 -25.5484 -29.909 -33.6373 -9.03826 -12.5457 -36.0371 -12.8973 -8.03799 TIMING: 4132000 CPU: 13117.7, 0.00309987/step Wall: 13117.7, 0.00309987/step, 0.747414 hours remaining, 240.808594 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: 4132000 3938.4667 20367.8202 14458.8312 242.2631 -203272.4489 2402.3922 0.0000 0.0000 52038.3407 -109824.3348 299.0651 -161862.6755 -109454.3840 298.7984 18.1501 43.2226 758671.3021 -3.8407 -3.8710 PRESSURE: 4132200 186.847 80.0295 105.46 80.0296 -305.266 -134.451 105.46 -134.451 2.42447 GPRESSURE: 4132200 164.007 135.29 82.1003 24.8476 -225.34 -188.955 94.0476 -22.1613 44.9431 PRESSAVG: 4132200 59.8731 17.4477 -67.6284 17.4477 -51.053 36.8782 -67.6284 36.8781 29.605 GPRESSAVG: 4132200 59.447 13.3065 -67.8602 17.7589 -50.2694 38.6487 -67.115 36.9076 28.8746 TIMING: 4132200 CPU: 13118.3, 0.00311538/step Wall: 13118.3, 0.00311538/step, 0.75098 hours remaining, 240.808594 MB of memory in use. ENERGY: 4132200 4018.6964 20583.5085 14463.5493 258.7869 -203598.3533 2469.3446 0.0000 0.0000 51919.4372 -109885.0305 298.3817 -161804.4677 -109519.8500 299.1422 -38.6647 -5.4633 760955.8005 12.8084 12.6841 LDB: ============= START OF LOAD BALANCING ============== 13130.8 LDB: ============== END OF LOAD BALANCING =============== 13130.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13130.8 LDB: ============= START OF LOAD BALANCING ============== 13131.1 LDB: Largest compute 7031 load 0.035193 is 18.0% of average load 0.195388 LDB: Average compute 0.004403 is 2.3% of average load 0.195388 LDB: TIME 13131.1 LOAD: AVG 0.195388 MAX 0.216121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 13131.1 LOAD: AVG 0.195388 MAX 0.216121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 13131.1 LOAD: AVG 0.195388 MAX 0.216121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 13131.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13131.1 PRESSURE: 4132400 121.415 -17.2073 -108.174 -17.2076 -202.285 64.2407 -108.175 64.2415 -66.8772 GPRESSURE: 4132400 237.738 -77.0364 -51.4945 17.8152 -191.195 82.08 -73.6538 -121.962 -101.233 PRESSAVG: 4132400 16.0858 24.5425 -24.4853 24.5425 -37.5045 24.941 -24.4853 24.941 1.03995 GPRESSAVG: 4132400 16.2653 26.7418 -23.5785 24.7048 -37.9617 23.8542 -24.165 23.101 1.4049 TIMING: 4132400 CPU: 13119, 0.00319621/step Wall: 13119, 0.00319621/step, 0.770286 hours remaining, 239.527344 MB of memory in use. ENERGY: 4132400 3962.8054 20511.0976 14406.5555 230.7894 -203518.6230 2669.5117 0.0000 0.0000 51957.1271 -109780.7362 298.5983 -161737.8633 -109419.7459 299.1044 -49.2493 -18.2301 760795.1347 -6.7929 -6.7638 PRESSURE: 4132600 283.091 -202.848 -222.126 -202.849 -309.77 32.4718 -222.126 32.4711 457.543 GPRESSURE: 4132600 421.443 -161.688 -176.381 -255.667 -304.926 50.3414 -175.826 14.1017 389.615 PRESSAVG: 4132600 -5.48709 37.3111 -0.993187 37.3112 -4.95295 43.7212 -0.993207 43.7211 -4.87609 GPRESSAVG: 4132600 -4.58165 33.8631 -1.32579 35.4394 -5.87854 43.8131 1.96569 45.5352 -4.67911 TIMING: 4132600 CPU: 13119.6, 0.00313671/step Wall: 13119.6, 0.00313672/step, 0.755774 hours remaining, 239.527344 MB of memory in use. ENERGY: 4132600 3954.2794 20498.8609 14452.9685 250.8377 -203661.9364 2815.6151 0.0000 0.0000 51914.7014 -109774.6733 298.3545 -161689.3747 -109419.1272 298.7415 143.6215 168.7106 760474.2110 -5.1054 -5.0464 PRESSURE: 4132800 -10.754 -100.233 -202.412 -100.233 -8.31769 -86.7532 -202.413 -86.7535 224.592 GPRESSURE: 4132800 29.486 32.3891 -198.269 28.0638 35.8363 18.7388 -133.259 -52.5057 212.642 PRESSAVG: 4132800 53.1349 65.4326 -24.0521 65.4327 -88.3873 -6.8652 -24.0521 -6.86526 -11.2697 GPRESSAVG: 4132800 51.9508 67.409 -24.2102 68.4939 -87.0212 -5.5619 -25.6505 -7.74475 -11.4435 TIMING: 4132800 CPU: 13120.2, 0.00312551/step Wall: 13120.2, 0.00312551/step, 0.752901 hours remaining, 239.527344 MB of memory in use. ENERGY: 4132800 4008.8765 20632.5671 14549.3097 244.7382 -204100.4333 2770.1093 0.0000 0.0000 52086.1931 -109808.6393 299.3401 -161894.8324 -109454.1153 299.1926 68.5066 92.6547 759585.2487 -15.5074 -15.5046 PRESSURE: 4133000 -110.271 -83.5229 25.6534 -83.5228 -73.1579 -148.045 25.6528 -148.044 47.7508 GPRESSURE: 4133000 5.71703 -30.2502 -12.5866 -169.838 -67.9496 -99.3355 -46.3245 -212.193 29.9315 PRESSAVG: 4133000 -20.4261 5.30674 -6.13543 5.3068 -3.32078 -26.8944 -6.13551 -26.8944 9.87092 GPRESSAVG: 4133000 -19.3824 4.2606 -6.20308 4.61758 -4.08763 -26.5641 -5.28138 -29.1493 9.67018 TIMING: 4133000 CPU: 13120.9, 0.00311856/step Wall: 13120.9, 0.00311856/step, 0.751053 hours remaining, 239.527344 MB of memory in use. ENERGY: 4133000 3994.1092 20481.2170 14422.9557 257.1684 -203911.5635 2843.5999 0.0000 0.0000 52003.8115 -109908.7018 298.8666 -161912.5133 -109548.5341 299.1065 -45.2259 -10.7670 761648.5217 -4.6253 -4.6000 PRESSURE: 4133200 -273.518 -74.7522 181.669 -74.7522 -126.31 64.7966 181.669 64.797 -154.633 GPRESSURE: 4133200 -221.368 -112.991 172.506 -122.745 -9.19881 17.1675 190.55 105.221 -240.923 PRESSAVG: 4133200 12.7378 -47.2268 56.392 -47.2268 -13.54 -1.86046 56.392 -1.86045 -18.5192 GPRESSAVG: 4133200 13.3159 -47.4639 56.2738 -49.6462 -13.0678 -3.21536 55.6507 1.66493 -19.015 TIMING: 4133200 CPU: 13121.5, 0.00313615/step Wall: 13121.5, 0.00313615/step, 0.755116 hours remaining, 239.527344 MB of memory in use. ENERGY: 4133200 3972.2590 20442.6629 14437.3722 225.2171 -203371.4945 2375.6138 0.0000 0.0000 51925.2638 -109993.1058 298.4152 -161918.3696 -109624.3547 298.7186 -184.8205 -157.1633 760045.0755 -6.4405 -6.2556 PRESSURE: 4133400 -440.864 144.316 106.043 144.316 -216.172 -25.2432 106.043 -25.2424 -106.257 GPRESSURE: 4133400 -330.719 64.248 56.4263 148.296 -209.394 -53.4381 166.42 30.0363 -137.819 PRESSAVG: 4133400 -29.2367 13.6029 17.6715 13.6029 -18.7296 -11.665 17.6715 -11.665 2.50963 GPRESSAVG: 4133400 -29.9564 13.8475 18.0613 13.4663 -18.2074 -13.0352 19.5217 -11.9232 2.91984 TIMING: 4133400 CPU: 13122.1, 0.003119/step Wall: 13122.1, 0.003119/step, 0.750814 hours remaining, 239.527344 MB of memory in use. ENERGY: 4133400 4045.2640 20489.7428 14455.6659 240.6284 -203409.6142 2265.5347 0.0000 0.0000 52030.1674 -109882.6109 299.0181 -161912.7784 -109526.9631 298.7125 -254.4309 -225.9776 761091.1916 -15.1522 -15.0813 PRESSURE: 4133600 -466.81 -33.9206 239.99 -33.9214 382.375 -136.646 239.99 -136.646 37.1063 GPRESSURE: 4133600 -289.393 -16.1872 199.499 -54.3867 368.768 -143.162 188.38 -176.598 -62.0622 PRESSAVG: 4133600 -15.0438 26.3178 25.3484 26.3178 -14.9368 -28.463 25.3484 -28.463 17.5399 GPRESSAVG: 4133600 -15.2826 25.7795 23.5729 28.4007 -14.7113 -26.398 25.2696 -30.2991 17.123 TIMING: 4133600 CPU: 13122.7, 0.00312981/step Wall: 13122.7, 0.00312981/step, 0.753241 hours remaining, 239.527344 MB of memory in use. ENERGY: 4133600 4032.8195 20463.9867 14447.2293 244.0402 -203723.0787 2639.9708 0.0000 0.0000 52030.3046 -109864.7276 299.0189 -161895.0322 -109509.6162 299.0152 -15.7764 5.7711 760719.9987 -4.1469 -4.2903 PRESSURE: 4133800 -11.8996 170.084 -263.853 170.083 52.5158 -48.478 -263.853 -48.4781 -143.317 GPRESSURE: 4133800 4.01994 178.219 -330.32 115.384 54.7307 -52.3686 -285.994 -92.8507 -86.6256 PRESSAVG: 4133800 -35.9358 26.7738 2.61466 26.7738 14.736 1.92985 2.61463 1.92994 -35.8525 GPRESSAVG: 4133800 -35.2678 26.1875 3.6803 27.7806 13.1539 1.39048 0.574073 2.46586 -34.4878 TIMING: 4133800 CPU: 13123.4, 0.00314192/step Wall: 13123.4, 0.00314192/step, 0.755981 hours remaining, 239.527344 MB of memory in use. ENERGY: 4133800 4071.8868 20483.6630 14451.6014 237.6069 -203707.6861 2636.4325 0.0000 0.0000 51939.4932 -109887.0023 298.4970 -161826.4956 -109521.1837 298.7300 -34.2336 -9.2917 761548.5115 -19.0174 -18.8672 PRESSURE: 4134000 -255.7 307.51 34.9391 307.51 -67.3919 90.9336 34.939 90.9339 -37.7463 GPRESSURE: 4134000 -159.393 383.767 9.02208 255.515 -54.4938 81.598 -2.99006 78.1321 -53.4579 PRESSAVG: 4134000 19.3453 27.9616 -6.89727 27.9617 1.12222 8.28489 -6.89727 8.28497 3.71208 GPRESSAVG: 4134000 18.8597 31.564 -5.54774 25.2208 1.46721 6.82614 -4.9143 9.31865 3.74393 TIMING: 4134000 CPU: 13124, 0.00316046/step Wall: 13124, 0.00316046/step, 0.760265 hours remaining, 239.527344 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: 4134000 3997.7037 20557.0864 14507.9432 247.3098 -203703.6461 2514.9735 0.0000 0.0000 51951.9442 -109926.6852 298.5685 -161878.6295 -109569.1493 298.2276 -120.2793 -89.1150 759256.1039 8.0599 8.0236 PRESSURE: 4134200 223.536 -170.795 -93.0216 -170.794 -60.0849 39.206 -93.0224 39.2073 280.442 GPRESSURE: 4134200 261.441 -154.668 -49.9594 -62.6574 -67.9956 -47.1752 -53.047 109.827 332.37 PRESSAVG: 4134200 48.5572 -35.4653 42.7645 -35.4653 -8.68259 -2.03772 42.7645 -2.0377 26.898 GPRESSAVG: 4134200 48.2318 -37.2404 41.0211 -34.0486 -8.8812 -0.101138 43.2507 -3.13884 26.8406 TIMING: 4134200 CPU: 13124.6, 0.00312444/step Wall: 13124.6, 0.00312444/step, 0.751428 hours remaining, 239.527344 MB of memory in use. ENERGY: 4134200 3940.1203 20561.9235 14433.1479 241.7231 -204269.5998 2948.5320 0.0000 0.0000 52023.3992 -110120.7538 298.9792 -162144.1530 -109750.7416 298.4516 147.9643 175.2718 758180.2836 22.2576 22.0637 PRESSURE: 4134400 -78.4658 -55.8483 11.746 -55.848 -135.827 215.354 11.747 215.353 332.091 GPRESSURE: 4134400 -111.537 -113.177 12.0161 62.1047 -59.9305 254.766 176.32 221.59 373.704 PRESSAVG: 4134400 -27.5337 16.2311 56.5001 16.2311 27.8609 -12.8376 56.5001 -12.8376 15.3062 GPRESSAVG: 4134400 -28.0169 16.0515 56.8116 15.3738 28.2539 -11.3948 56.1483 -12.8714 15.4965 TIMING: 4134400 CPU: 13125.2, 0.00314126/step Wall: 13125.2, 0.00314126/step, 0.755299 hours remaining, 239.527344 MB of memory in use. ENERGY: 4134400 3976.0966 20500.2326 14548.7216 239.9152 -203492.2457 2343.3973 0.0000 0.0000 51913.5955 -109970.2870 298.3481 -161883.8825 -109609.0618 298.4545 39.2660 67.4124 758105.5082 5.2111 5.2445 PRESSURE: 4134600 32.9798 -56.6859 170.763 -56.686 -176.717 -127.043 170.762 -127.044 29.3698 GPRESSURE: 4134600 -6.21218 21.0969 121.261 -93.2471 -103.888 -136.221 114.665 -29.1886 71.2102 PRESSAVG: 4134600 -3.55939 -28.2653 66.2641 -28.2654 -3.36984 -26.3899 66.2641 -26.39 5.17902 GPRESSAVG: 4134600 -4.12081 -27.2512 67.8247 -28.287 -3.05784 -28.0328 64.7941 -25.4162 4.53318 TIMING: 4134600 CPU: 13125.9, 0.00314631/step Wall: 13125.9, 0.00314631/step, 0.756337 hours remaining, 239.527344 MB of memory in use. ENERGY: 4134600 3911.2831 20759.0586 14448.5329 244.3091 -203691.6243 2257.5727 0.0000 0.0000 51787.9196 -110282.9483 297.6259 -162070.8679 -109923.1135 298.2075 -38.1225 -12.9635 758660.2294 -0.5834 -0.8818 PRESSURE: 4134800 -170.901 -66.5895 -153.707 -66.5888 -226.817 -181.132 -153.707 -181.133 22.2022 GPRESSURE: 4134800 -102.101 24.796 -78.5432 -188.205 -181.164 -156.454 -103.544 -176.024 -2.8214 PRESSAVG: 4134800 -41.429 -52.1196 22.9699 -52.1196 37.571 48.7784 22.97 48.7783 -4.86262 GPRESSAVG: 4134800 -39.5963 -53.2118 23.0804 -52.1975 36.756 48.6696 21.8674 49.1036 -5.8174 TIMING: 4134800 CPU: 13126.5, 0.00315098/step Wall: 13126.5, 0.00315098/step, 0.757285 hours remaining, 239.527344 MB of memory in use. ENERGY: 4134800 3943.1844 20567.0654 14493.6548 252.0686 -203848.1671 2359.5052 0.0000 0.0000 51807.6487 -110425.0400 297.7393 -162232.6887 -110066.1919 297.7217 -125.1720 -95.3620 758123.8473 -2.9069 -2.8859 PRESSURE: 4135000 -528.114 51.7316 4.36517 51.7322 -201.598 -35.6465 4.3663 -35.6474 -347.036 GPRESSURE: 4135000 -522.813 18.348 80.3953 127.016 -175.649 14.7531 -31.8205 -165.398 -291.896 PRESSAVG: 4135000 -39.8054 -59.5368 -16.6596 -59.5369 85.8242 12.7439 -16.6596 12.7439 20.7161 GPRESSAVG: 4135000 -41.5718 -59.3653 -17.3642 -59.1573 86.8624 13.8502 -17.5503 10.3722 22.0057 TIMING: 4135000 CPU: 13127.1, 0.003142/step Wall: 13127.1, 0.003142/step, 0.754953 hours remaining, 239.527344 MB of memory in use. ENERGY: 4135000 3981.1275 20563.9413 14459.4995 261.9614 -203698.1508 2188.8450 0.0000 0.0000 51917.5799 -110325.1961 298.3710 -162242.7760 -109963.8211 297.7858 -358.9159 -330.1192 756578.2465 22.2450 22.4321 PRESSURE: 4135200 -179.137 -198.378 -8.13749 -198.378 91.9559 -74.2882 -8.13736 -74.2887 282.596 GPRESSURE: 4135200 -124.095 -63.8214 -15.3496 -295.131 67.5397 16.8861 -25.6953 65.8728 335.511 PRESSAVG: 4135200 4.84144 -41.6045 2.24981 -41.6044 37.5135 3.72966 2.24983 3.72964 -17.7674 GPRESSAVG: 4135200 5.45355 -40.8624 1.77631 -41.8027 37.8635 3.74271 3.82727 2.75178 -18.4757 TIMING: 4135200 CPU: 13127.8, 0.0031686/step Wall: 13127.8, 0.0031686/step, 0.761168 hours remaining, 239.527344 MB of memory in use. ENERGY: 4135200 3995.3108 20510.4507 14455.0631 252.4939 -203891.3019 2496.8084 0.0000 0.0000 51856.1225 -110325.0525 298.0178 -162181.1750 -109968.0798 298.1293 65.1382 92.9852 758572.7332 8.1958 8.2805 PRESSURE: 4135400 39.2817 -10.6872 78.439 -10.6863 363.524 -82.7218 78.4397 -82.7228 -322.49 GPRESSURE: 4135400 52.8112 13.5607 48.3039 -66.4476 506.89 -129.837 36.6046 1.53299 -382.166 PRESSAVG: 4135400 -49.7142 15.9775 33.6587 15.9776 -20.9451 -6.44573 33.6588 -6.44578 -40.3505 GPRESSAVG: 4135400 -48.7624 15.7336 31.9802 15.1916 -22.3611 -8.59936 33.9827 -3.34699 -39.9286 TIMING: 4135400 CPU: 13128.4, 0.003126/step Wall: 13128.4, 0.003126/step, 0.750761 hours remaining, 239.527344 MB of memory in use. ENERGY: 4135400 3906.5325 20484.1512 14370.9410 228.6618 -203920.2378 2599.5442 0.0000 0.0000 51949.3471 -110381.0601 298.5536 -162330.4072 -110006.5601 297.8435 26.7721 59.1783 757515.1178 -37.0033 -37.0174 PRESSURE: 4135600 -61.9495 22.0339 54.4814 22.0338 13.6858 -171.354 54.4819 -171.356 69.8698 GPRESSURE: 4135600 -96.6209 -43.1399 62.0969 70.8637 75.1654 -113.141 -0.741235 -120.348 121.486 PRESSAVG: 4135600 -25.2402 6.32626 -21.2004 6.32622 11.4527 -19.335 -21.2004 -19.335 4.7395 GPRESSAVG: 4135600 -26.5448 5.21929 -19.5205 7.31959 12.1694 -17.1522 -20.4267 -20.6234 5.3825 TIMING: 4135600 CPU: 13129, 0.00312685/step Wall: 13129, 0.00312685/step, 0.750792 hours remaining, 239.527344 MB of memory in use. ENERGY: 4135600 3912.0321 20504.0338 14407.3135 235.0167 -203808.1944 2642.2871 0.0000 0.0000 51678.3234 -110429.1878 296.9960 -162107.5112 -110078.5828 297.3570 7.2020 33.3434 758923.4852 -3.0160 -2.9976 PRESSURE: 4135800 374.079 -39.2368 -82.3378 -39.2365 -165.31 119.867 -82.3383 119.865 -175.909 GPRESSURE: 4135800 329.708 36.779 -24.8391 -0.224991 -75.9878 98.0099 -192.905 56.279 -150.44 PRESSAVG: 4135800 -15.8445 59.7295 0.766077 59.7295 37.7043 -29.882 0.766106 -29.8821 19.7876 GPRESSAVG: 4135800 -14.5994 61.0158 0.298693 59.7516 37.8883 -30.2881 -0.434575 -29.7767 18.6573 TIMING: 4135800 CPU: 13129.6, 0.00314172/step Wall: 13129.6, 0.00314172/step, 0.754186 hours remaining, 239.527344 MB of memory in use. ENERGY: 4135800 3999.0265 20519.1842 14375.5699 241.2872 -203937.3532 2598.9414 0.0000 0.0000 51989.0508 -110214.2932 298.7818 -162203.3440 -109839.3565 297.9774 10.9533 34.4265 758803.7254 13.8825 13.9821 PRESSURE: 4136000 -353.076 111.153 -99.6392 111.153 147.993 -66.5613 -99.6386 -66.5622 -123.971 GPRESSURE: 4136000 -255.03 31.4423 -24.0069 158.874 144.292 -69.7788 -77.6284 -108.822 -118.39 PRESSAVG: 4136000 -51.452 -14.2203 -16.8598 -14.2202 86.6025 -8.3266 -16.8598 -8.32663 9.60686 GPRESSAVG: 4136000 -51.4595 -16.371 -16.0093 -14.4225 85.613 -7.80344 -16.3778 -9.39504 10.6602 TIMING: 4136000 CPU: 13130.3, 0.00313018/step Wall: 13130.3, 0.00313018/step, 0.751244 hours remaining, 239.527344 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: 4136000 4068.6326 20552.0742 14484.9311 273.8257 -203858.5293 2650.6181 0.0000 0.0000 51661.2986 -110167.1490 296.8982 -161828.4475 -109812.8916 298.4096 -109.6849 -76.3760 759772.6326 14.9191 14.9379 PRESSURE: 4136200 -182.865 70.5968 -89.5654 70.5977 -35.2595 -42.6247 -89.5658 -42.6247 -238.384 GPRESSURE: 4136200 -172.555 114.433 -25.7871 108.824 -30.747 -115.396 -29.0458 3.86885 -171.882 PRESSAVG: 4136200 -61.5032 -0.301162 -2.78615 -0.301216 53.9682 -10.8124 -2.78618 -10.8124 -7.13567 GPRESSAVG: 4136200 -63.0126 -0.189438 -4.55094 0.706075 56.2107 -11.3748 -1.75397 -11.7313 -8.70541 TIMING: 4136200 CPU: 13130.9, 0.00313206/step Wall: 13130.9, 0.00313206/step, 0.75152 hours remaining, 239.527344 MB of memory in use. ENERGY: 4136200 3957.2878 20611.9003 14463.8115 245.0573 -203860.8759 2248.4896 0.0000 0.0000 52243.3454 -110090.9839 300.2432 -162334.3294 -109728.6231 298.8664 -152.1696 -125.0615 760035.4853 -4.8902 -5.1691 LDB: ============= START OF LOAD BALANCING ============== 13143.4 LDB: ============== END OF LOAD BALANCING =============== 13143.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13143.4 LDB: ============= START OF LOAD BALANCING ============== 13143.7 LDB: Largest compute 7056 load 0.035426 is 18.1% of average load 0.195338 LDB: Average compute 0.004384 is 2.2% of average load 0.195338 LDB: TIME 13143.7 LOAD: AVG 0.195338 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 13143.7 LOAD: AVG 0.195338 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 13143.7 LOAD: AVG 0.195338 MAX 0.216111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 13143.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13143.7 PRESSURE: 4136400 229.495 -5.25691 -191.403 -5.25681 154.886 87.2208 -191.405 87.2223 236.415 GPRESSURE: 4136400 385.337 100.721 -242.266 8.32634 134.52 22.4361 -130.641 58.2631 196.449 PRESSAVG: 4136400 -56.5678 10.5477 -22.6433 10.5477 13.1014 -13.4775 -22.6434 -13.4775 5.71514 GPRESSAVG: 4136400 -56.6967 13.8937 -23.2704 9.33823 12.6135 -12.708 -21.3863 -10.385 6.00431 TIMING: 4136400 CPU: 13131.5, 0.00322307/step Wall: 13131.5, 0.00322307/step, 0.773178 hours remaining, 240.871094 MB of memory in use. ENERGY: 4136400 3966.0583 20406.6551 14493.0874 263.4573 -203595.8514 2642.4048 0.0000 0.0000 51634.7767 -110189.4119 296.7458 -161824.1886 -109825.4308 298.3899 206.9318 238.7688 760175.3788 -12.5838 -12.6930 PRESSURE: 4136600 -334.705 8.48054 67.4123 8.479 72.4326 3.66576 67.4116 3.66681 99.6498 GPRESSURE: 4136600 -225.103 36.0411 5.47597 49.1746 57.0925 20.1367 127.038 -28.9709 89.4624 PRESSAVG: 4136600 -1.01898 -32.0902 10.6931 -32.0903 11.6726 -16.096 10.6931 -16.096 -5.59598 GPRESSAVG: 4136600 -0.463678 -35.3991 11.6463 -31.3155 10.605 -17.9129 9.90033 -15.4949 -5.45837 TIMING: 4136600 CPU: 13132.2, 0.00314435/step Wall: 13132.2, 0.00314435/step, 0.75412 hours remaining, 240.937500 MB of memory in use. ENERGY: 4136600 3938.6619 20426.2403 14431.5558 263.5034 -203927.9260 2706.3556 0.0000 0.0000 52030.4587 -110131.1503 299.0198 -162161.6090 -109761.9028 298.5159 -54.2077 -26.1827 760511.7327 1.6859 1.5610 PRESSURE: 4136800 -85.2664 -117.864 226.041 -117.865 -133.963 -10.5267 226.04 -10.5277 -119.936 GPRESSURE: 4136800 -66.6873 -107.57 206.444 29.9574 -37.1165 -70.5444 58.0574 -33.6134 -144.106 PRESSAVG: 4136800 -39.3532 -64.2024 5.87596 -64.2024 33.323 -54.0658 5.876 -54.0659 -30.6846 GPRESSAVG: 4136800 -41.3247 -62.3773 6.57848 -64.7325 34.9539 -54.44 5.41359 -55.2242 -30.4574 TIMING: 4136800 CPU: 13132.8, 0.00311837/step Wall: 13132.8, 0.00311837/step, 0.747716 hours remaining, 240.937500 MB of memory in use. ENERGY: 4136800 3942.0111 20531.4994 14455.2844 266.2188 -203945.2836 2614.1266 0.0000 0.0000 51964.9403 -110171.2030 298.6432 -162136.1433 -109801.2194 298.0767 -113.0553 -82.6366 759954.6341 -12.2383 -12.2761 PRESSURE: 4137000 122.944 -71.5938 -229.292 -71.5935 145.888 33.0364 -229.291 33.0367 -196.624 GPRESSURE: 4137000 224.055 -99.2024 -194.661 34.723 31.8497 109.516 -165.616 14.8848 -71.7128 PRESSAVG: 4137000 20.719 -17.8426 -16.4209 -17.8427 -62.3122 -11.8108 -16.421 -11.8107 0.816006 GPRESSAVG: 4137000 22.074 -18.4098 -15.9855 -16.6712 -63.6045 -11.7813 -18.3364 -11.2915 0.690892 TIMING: 4137000 CPU: 13133.4, 0.00315844/step Wall: 13133.4, 0.00315843/step, 0.757147 hours remaining, 240.937500 MB of memory in use. ENERGY: 4137000 3909.3250 20625.9229 14473.6523 232.4400 -203686.6530 2473.9601 0.0000 0.0000 51848.0427 -110123.3099 297.9714 -161971.3526 -109773.8636 298.4475 24.0695 61.3973 758859.3426 -13.5924 -13.6132 PRESSURE: 4137200 -24.6566 -224.819 -135.65 -224.82 26.5793 -104.454 -135.65 -104.453 -207.912 GPRESSURE: 4137200 -38.0688 -200.837 -30.3169 -152.913 93.8703 -93.6926 -200.454 -103.123 -170.89 PRESSAVG: 4137200 14.4558 -78.0715 5.35659 -78.0715 -36.2261 13.6644 5.35655 13.6644 0.430704 GPRESSAVG: 4137200 14.1761 -76.8647 6.35371 -80.593 -35.985 14.6075 6.82224 14.7418 0.308035 TIMING: 4137200 CPU: 13134.1, 0.00315611/step Wall: 13134.1, 0.00315611/step, 0.756413 hours remaining, 240.937500 MB of memory in use. ENERGY: 4137200 4001.1601 20325.6719 14496.5999 234.5659 -203847.2915 2723.9338 0.0000 0.0000 51841.5222 -110223.8378 297.9339 -162065.3600 -109861.9268 297.9433 -68.6630 -38.3628 760610.6098 -7.1132 -7.1669 PRESSURE: 4137400 -7.02208 -133.546 9.04803 -133.546 99.2735 158.048 9.04805 158.048 -121.687 GPRESSURE: 4137400 7.39193 -51.024 -33.3419 -197.73 132.031 150.597 9.57511 189.932 -82.8081 PRESSAVG: 4137400 6.04568 -18.5595 -40.9801 -18.5595 -27.315 29.1247 -40.9801 29.1246 4.42934 GPRESSAVG: 4137400 6.51863 -18.7408 -42.3361 -18.1275 -26.5914 27.213 -40.4993 28.4101 3.12131 TIMING: 4137400 CPU: 13134.7, 0.00312591/step Wall: 13134.7, 0.00312591/step, 0.749003 hours remaining, 240.937500 MB of memory in use. ENERGY: 4137400 4032.2351 20343.9619 14399.8040 250.6211 -203714.9678 2813.0471 0.0000 0.0000 51839.9263 -110035.3723 297.9248 -161875.2985 -109685.3080 298.0999 -9.8117 18.8717 761038.4651 -5.6133 -5.6505 PRESSURE: 4137600 212.191 32.6648 -86.8051 32.6656 -143.18 157.771 -86.8046 157.77 161.792 GPRESSURE: 4137600 246.194 56.5387 -141.423 67.0504 -133.125 229.261 -122.506 68.6912 212.255 PRESSAVG: 4137600 -38.9436 1.03225 26.8755 1.0322 0.863226 -18.1646 26.8755 -18.1646 -2.43318 GPRESSAVG: 4137600 -37.8387 0.46309 26.7986 2.55831 -1.37759 -15.1185 26.3738 -18.099 -0.745668 TIMING: 4137600 CPU: 13135.3, 0.00313225/step Wall: 13135.3, 0.00313225/step, 0.750348 hours remaining, 240.937500 MB of memory in use. ENERGY: 4137600 3925.8930 20514.8498 14497.0776 249.6186 -204141.7389 2745.8055 0.0000 0.0000 52046.8267 -110161.6676 299.1138 -162208.4943 -109805.4305 297.9393 76.9343 108.4413 760761.4242 -13.5045 -13.3207 PRESSURE: 4137800 54.8978 -105.219 206.48 -105.22 -377.288 6.36845 206.481 6.36873 -97.9112 GPRESSURE: 4137800 65.0456 -12.8478 222.032 -156.274 -360.441 35.3952 70.2987 -21.6826 -46.4202 PRESSAVG: 4137800 21.8683 -18.1742 -31.797 -18.1742 -3.83578 -2.48058 -31.797 -2.48064 28.6268 GPRESSAVG: 4137800 22.4603 -18.4185 -31.993 -18.0108 -4.61989 -5.10919 -32.4781 -1.63454 28.5999 TIMING: 4137800 CPU: 13135.9, 0.00314855/step Wall: 13135.9, 0.00314855/step, 0.754078 hours remaining, 240.937500 MB of memory in use. ENERGY: 4137800 3964.3701 20378.8973 14464.0065 260.8934 -203347.3979 2369.3739 0.0000 0.0000 51581.0631 -110328.7936 296.4371 -161909.8568 -109971.7610 298.3819 -140.1004 -113.9386 762292.5278 15.5531 15.4801 PRESSURE: 4138000 186.286 139.454 -140.957 139.455 -37.8019 -314.352 -140.957 -314.353 121.441 GPRESSURE: 4138000 247.126 -0.994761 -116.277 31.213 16.0379 -303.245 -159.6 -274.13 97.3787 PRESSAVG: 4138000 13.2998 -13.9514 -35.0035 -13.9514 -13.007 -13.7267 -35.0035 -13.7267 11.4167 GPRESSAVG: 4138000 13.5632 -14.5181 -34.7637 -14.8825 -11.6205 -13.4835 -36.6804 -13.2638 9.92601 TIMING: 4138000 CPU: 13136.6, 0.00311813/step Wall: 13136.6, 0.00311813/step, 0.746618 hours remaining, 240.937500 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: 4138000 3951.6749 20280.7141 14461.9160 255.5452 -203748.6653 2723.7467 0.0000 0.0000 51946.9129 -110128.1554 298.5396 -162075.0683 -109759.7103 297.5551 89.9750 120.1808 759949.1785 3.9031 3.9562 PRESSURE: 4138200 -235.878 79.4138 -233.35 79.414 150.873 -32.3206 -233.35 -32.3201 -629.098 GPRESSURE: 4138200 -253.235 221.622 -196.696 125.802 87.285 2.88662 -250.331 -147.86 -472.854 PRESSAVG: 4138200 9.32636 8.27227 21.1736 8.27226 -26.8009 -41.4484 21.1736 -41.4484 0.881718 GPRESSAVG: 4138200 8.13722 9.54361 21.6998 7.81743 -26.7597 -41.7552 24.055 -43.0166 2.1745 TIMING: 4138200 CPU: 13137.2, 0.00313845/step Wall: 13137.2, 0.00313845/step, 0.75131 hours remaining, 240.937500 MB of memory in use. ENERGY: 4138200 4004.0302 20422.2770 14427.8885 246.7197 -203458.9523 2521.0744 0.0000 0.0000 51874.6815 -109962.2810 298.1245 -161836.9625 -109596.0309 298.2400 -238.0341 -212.9347 760652.0016 -5.5309 -5.4827 PRESSURE: 4138400 114.217 50.992 -8.07638 50.992 253.269 -131.035 -8.07626 -131.036 225.298 GPRESSURE: 4138400 176.188 78.3226 -31.0933 125.275 233.125 -88.4914 33.2126 -135.656 255.22 PRESSAVG: 4138400 0.90166 -11.7681 12.9535 -11.7681 13.0613 -40.3793 12.9535 -40.3793 9.09316 GPRESSAVG: 4138400 0.922805 -9.56085 13.1737 -12.8798 12.5949 -40.955 10.9727 -40.1108 9.53936 TIMING: 4138400 CPU: 13137.8, 0.00312571/step Wall: 13137.8, 0.00312571/step, 0.748087 hours remaining, 240.937500 MB of memory in use. ENERGY: 4138400 4005.9608 20438.2089 14439.5623 229.7392 -203964.4677 2925.0282 0.0000 0.0000 51755.9555 -110170.0127 297.4422 -161925.9683 -109819.4199 298.1032 197.5944 221.5111 759408.8647 7.6854 7.6857 PRESSURE: 4138600 136.536 7.55371 90.1801 7.5532 -398.755 122.898 90.1797 122.898 -121.778 GPRESSURE: 4138600 125.415 -85.8225 174.965 -85.8864 -274.822 31.881 -17.7274 127.247 -159.253 PRESSAVG: 4138600 28.5272 -3.52569 -20.904 -3.52569 0.315695 -10.5809 -20.904 -10.581 -4.29679 GPRESSAVG: 4138600 28.7874 -8.86278 -20.708 -1.2585 0.67931 -9.22943 -20.8231 -11.7313 -5.01747 TIMING: 4138600 CPU: 13138.4, 0.00313832/step Wall: 13138.4, 0.00313832/step, 0.75093 hours remaining, 240.937500 MB of memory in use. ENERGY: 4138600 3931.9659 20464.1241 14464.1417 235.5730 -203471.4145 2232.7573 0.0000 0.0000 51860.8047 -110282.0479 298.0448 -162142.8526 -109919.3394 298.0370 -127.9988 -102.8868 760973.6215 8.1820 8.1497 PRESSURE: 4138800 179.549 42.1048 74.187 42.1055 -203.438 -47.3699 74.1872 -47.3701 -315.573 GPRESSURE: 4138800 158.83 93.3321 29.0043 127.42 -231.6 -69.2266 95.7825 -99.0939 -210.188 PRESSAVG: 4138800 24.2635 -6.83024 -35.2441 -6.8302 9.75473 20.5639 -35.2442 20.5638 -2.70347 GPRESSAVG: 4138800 24.2781 -3.53768 -37.2053 -6.4354 11.0435 19.9929 -33.3158 20.4677 -3.54894 TIMING: 4138800 CPU: 13139.1, 0.00313644/step Wall: 13139.1, 0.00313644/step, 0.750305 hours remaining, 240.937500 MB of memory in use. ENERGY: 4138800 4077.9510 20470.4568 14507.1726 235.5546 -203843.8042 2508.6124 0.0000 0.0000 51782.9213 -110261.1353 297.5972 -162044.0566 -109897.8651 297.9362 -113.1540 -94.3191 760379.9830 10.4383 10.5909 PRESSURE: 4139000 394.357 22.1804 -70.8342 22.1797 -37.3076 40.5204 -70.8338 40.5194 145.093 GPRESSURE: 4139000 410.116 -32.5233 -122.495 28.4172 21.9371 58.6593 -46.1995 -47.3143 156.027 PRESSAVG: 4139000 56.0883 17.5047 -7.22435 17.5046 -41.7825 -21.6141 -7.22436 -21.6141 -2.03825 GPRESSAVG: 4139000 55.063 16.3311 -7.3188 17.5208 -40.3277 -21.4817 -6.38962 -22.3533 -2.3883 TIMING: 4139000 CPU: 13139.7, 0.0031333/step Wall: 13139.7, 0.0031333/step, 0.74938 hours remaining, 240.937500 MB of memory in use. ENERGY: 4139000 3937.6104 20512.6814 14437.7663 265.7829 -203876.5078 2468.5647 0.0000 0.0000 51973.6836 -110280.4185 298.6935 -162254.1021 -109916.7605 298.1021 167.3808 196.0265 759229.4481 4.0892 4.1157 PRESSURE: 4139200 7.76368 -21.0045 -9.90807 -21.0041 -418.547 58.2529 -9.9074 58.2518 150.84 GPRESSURE: 4139200 13.4308 71.3049 -32.5776 37.3802 -346.297 104.858 -95.1075 35.9834 158.715 PRESSAVG: 4139200 -13.0764 26.7057 -20.8552 26.7057 45.8986 2.04073 -20.8552 2.04062 -17.3117 GPRESSAVG: 4139200 -11.9418 27.5314 -19.8795 25.9138 44.4125 2.98675 -21.9832 1.19557 -16.9618 TIMING: 4139200 CPU: 13140.3, 0.0031139/step Wall: 13140.3, 0.0031139/step, 0.744567 hours remaining, 240.937500 MB of memory in use. ENERGY: 4139200 3883.1201 20475.7295 14410.6664 257.9251 -203707.1605 2651.8130 0.0000 0.0000 51925.6269 -110102.2794 298.4173 -162027.9063 -109736.9783 298.2945 -86.6478 -58.0505 761220.0350 5.1702 5.1696 PRESSURE: 4139400 116.929 -54.4066 44.6781 -54.4074 198.121 -40.5136 44.6779 -40.5135 -140.593 GPRESSURE: 4139400 120.268 -43.1031 128.521 -179.879 167.63 0.687206 -116.399 -101.691 -24.3835 PRESSAVG: 4139400 2.287 0.641835 -62.2136 0.641847 -17.3074 18.0983 -62.2136 18.0984 24.7806 GPRESSAVG: 4139400 1.76791 -0.826811 -62.2541 1.78242 -17.1921 15.9434 -63.8693 20.2729 25.2987 TIMING: 4139400 CPU: 13140.9, 0.00312686/step Wall: 13140.9, 0.00312686/step, 0.747493 hours remaining, 240.937500 MB of memory in use. ENERGY: 4139400 4004.4307 20374.9406 14419.2547 258.7278 -203844.4770 2820.9511 0.0000 0.0000 52019.2079 -109946.9641 298.9551 -161966.1721 -109585.5157 298.4916 58.1524 87.8381 759825.5876 3.2534 3.2915 PRESSURE: 4139600 -185.792 193.126 -71.7675 193.126 -182.094 4.1788 -71.7685 4.1795 243.242 GPRESSURE: 4139600 -149.007 216.292 -25.8005 245.109 -54.3241 35.5642 -42.7468 33.8146 158.038 PRESSAVG: 4139600 -28.8736 -0.234899 -46.2374 -0.234828 27.8461 55.9181 -46.2374 55.9181 2.33426 GPRESSAVG: 4139600 -28.0938 0.358286 -46.5196 -0.529933 27.4825 57.7108 -44.8162 54.9313 1.71728 TIMING: 4139600 CPU: 13141.6, 0.00313111/step Wall: 13141.6, 0.00313111/step, 0.748334 hours remaining, 240.937500 MB of memory in use. ENERGY: 4139600 3974.9063 20439.7127 14444.9750 245.0434 -203666.1494 2685.4547 0.0000 0.0000 51928.1369 -109947.9205 298.4317 -161876.0574 -109590.6890 299.0095 -41.5480 -15.0977 762368.4620 0.4356 0.3687 PRESSURE: 4139800 55.1441 231.522 -163.501 231.521 205.69 2.47715 -163.501 2.47674 -312.445 GPRESSURE: 4139800 66.8759 134.362 -186.587 171.425 174.229 32.5268 -180.88 105.743 -201.023 PRESSAVG: 4139800 1.06023 -9.14045 -1.73138 -9.14044 38.7581 74.5512 -1.73141 74.5512 3.84962 GPRESSAVG: 4139800 1.21453 -11.4475 -2.40043 -8.63696 38.1105 75.3328 -1.92539 74.5348 4.43655 TIMING: 4139800 CPU: 13142.2, 0.00312031/step Wall: 13142.2, 0.00312031/step, 0.745581 hours remaining, 240.937500 MB of memory in use. ENERGY: 4139800 3971.8707 20326.1283 14482.4279 243.4168 -203902.2821 2615.7229 0.0000 0.0000 51968.5382 -110294.1773 298.6639 -162262.7156 -109929.7089 298.5519 -17.2038 13.3606 760856.7874 14.5560 14.5872 PRESSURE: 4140000 -44.2746 169.857 -218.481 169.857 -76.1554 167.289 -218.48 167.291 -44.6636 GPRESSURE: 4140000 14.5297 141.162 -174.28 139.338 -16.9467 242.428 -155.891 69.6605 -61.3626 PRESSAVG: 4140000 -26.3403 40.1926 -6.15871 40.1927 13.2549 -15.4976 -6.15873 -15.4976 7.48912 GPRESSAVG: 4140000 -27.2749 42.3274 -5.43475 39.3204 14.4198 -16.6109 -5.84874 -16.3496 6.84904 TIMING: 4140000 CPU: 13142.8, 0.00313452/step Wall: 13142.8, 0.00313452/step, 0.748803 hours remaining, 240.937500 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: 4140000 3937.1078 20311.5123 14440.4383 247.9035 -203647.7324 2496.3916 0.0000 0.0000 51934.5494 -110279.8295 298.4686 -162214.3789 -109919.4536 298.1048 -55.0312 -21.2598 760182.1178 -1.8654 -2.0020 PRESSURE: 4140200 -11.3123 134.939 91.4311 134.939 -116.045 -2.81121 91.4305 -2.8112 -70.4732 GPRESSURE: 4140200 72.3165 197.692 -31.6522 121.728 -156.77 -40.3585 34.628 59.8246 -32.5008 PRESSAVG: 4140200 -3.90595 30.7742 23.6843 30.7742 51.5486 -14.4882 23.6844 -14.4883 26.7634 GPRESSAVG: 4140200 -4.22403 29.2058 21.4433 32.5975 51.2585 -14.8631 25.2377 -12.7841 27.3336 TIMING: 4140200 CPU: 13143.5, 0.00315815/step Wall: 13143.5, 0.00315815/step, 0.754272 hours remaining, 240.937500 MB of memory in use. ENERGY: 4140200 4008.6040 20477.8795 14464.2315 240.8720 -203713.5813 2672.6099 0.0000 0.0000 51525.2975 -110324.0869 296.1166 -161849.3844 -109957.8039 298.2017 -65.9435 -38.9847 760204.1193 24.8020 24.7894 LDB: ============= START OF LOAD BALANCING ============== 13155.9 LDB: ============== END OF LOAD BALANCING =============== 13155.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13155.9 LDB: ============= START OF LOAD BALANCING ============== 13156.2 LDB: Largest compute 7060 load 0.036264 is 18.6% of average load 0.195338 LDB: Average compute 0.004387 is 2.2% of average load 0.195338 LDB: TIME 13156.2 LOAD: AVG 0.195338 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.352 MB LDB: TIME 13156.2 LOAD: AVG 0.195338 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: TIME 13156.2 LOAD: AVG 0.195338 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: ============== END OF LOAD BALANCING =============== 13156.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13156.2 PRESSURE: 4140400 -54.8607 -52.0256 156.424 -52.0261 36.3645 174.976 156.423 174.976 -221.963 GPRESSURE: 4140400 -48.0285 -71.2451 96.5698 56.7369 167.574 206.718 87.3093 149.338 -273.362 PRESSAVG: 4140400 -5.04528 5.04814 4.58989 5.04807 -22.9453 -9.33368 4.58985 -9.33358 13.9804 GPRESSAVG: 4140400 -5.11462 8.42976 4.77453 3.83129 -22.7459 -8.61921 1.82617 -9.78935 14.1331 TIMING: 4140400 CPU: 13144.1, 0.00320563/step Wall: 13144.1, 0.00320563/step, 0.765433 hours remaining, 241.382812 MB of memory in use. ENERGY: 4140400 4057.4838 20355.0293 14435.1008 267.9254 -204242.1847 2794.2701 0.0000 0.0000 51805.7834 -110526.5919 297.7285 -162332.3753 -110165.6597 297.6799 -80.1532 -51.2723 760253.8702 -4.6701 -4.5758 PRESSURE: 4140600 -299.428 -159.461 99.3545 -159.461 -408.466 256.63 99.3545 256.63 -444.207 GPRESSURE: 4140600 -390.149 -118.764 75.0743 -136.964 -328.668 291.196 23.3505 167.573 -352.082 PRESSAVG: 4140600 9.60808 24.8254 -8.01371 24.8254 -17.9473 -6.70319 -8.01371 -6.70312 4.74129 GPRESSAVG: 4140600 9.52751 23.4066 -5.4494 24.0171 -17.0174 -7.33991 -7.71999 -8.46014 4.41937 TIMING: 4140600 CPU: 13144.7, 0.00312367/step Wall: 13144.7, 0.00312367/step, 0.74569 hours remaining, 241.382812 MB of memory in use. ENERGY: 4140600 4027.3393 20505.4361 14462.6330 262.8953 -204184.5530 2659.7262 0.0000 0.0000 51863.1078 -110403.4154 298.0580 -162266.5232 -110040.0425 297.9241 -384.0335 -356.9662 761611.4541 -1.1993 -1.0235 PRESSURE: 4140800 61.64 -56.0281 235.45 -56.0284 185.577 -78.8207 235.45 -78.8213 328.106 GPRESSURE: 4140800 132.748 -40.5034 134.385 -32.3833 185.847 -152.001 215.915 -166.127 337.617 PRESSAVG: 4140800 42.9343 58.3905 67.3071 58.3905 -70.7322 -15.5095 67.3071 -15.5095 -10.1999 GPRESSAVG: 4140800 43.6103 58.066 66.0022 60.2084 -71.1481 -17.2371 67.4264 -13.6321 -10.7798 TIMING: 4140800 CPU: 13145.3, 0.00312752/step Wall: 13145.3, 0.00312752/step, 0.746435 hours remaining, 241.382812 MB of memory in use. ENERGY: 4140800 4008.0298 20384.0008 14404.1075 219.8237 -204295.4479 3071.5775 0.0000 0.0000 51950.0009 -110257.9077 298.5574 -162207.9086 -109902.9230 297.9900 191.7744 218.7372 760251.6843 -12.6659 -12.7725 PRESSURE: 4141000 -105.415 -2.29861 -213.129 -2.29886 135.464 187.988 -213.13 187.989 74.2339 GPRESSURE: 4141000 -21.291 -28.4642 -253.959 -30.4253 217.274 126.459 -189.133 86.1032 7.07093 PRESSAVG: 4141000 36.4126 7.59763 27.3236 7.59761 -32.0072 14.4235 27.3236 14.4235 1.13715 GPRESSAVG: 4141000 37.1427 8.3674 28.4338 7.38691 -31.9008 14.3039 26.613 15.6089 0.542163 TIMING: 4141000 CPU: 13146, 0.00313165/step Wall: 13146, 0.00313165/step, 0.747245 hours remaining, 241.382812 MB of memory in use. ENERGY: 4141000 4010.9069 20465.8388 14402.9484 237.4068 -204520.9024 2964.6670 0.0000 0.0000 52210.9987 -110228.1359 300.0573 -162439.1345 -109860.6260 298.4977 34.7608 67.6845 758605.8420 1.8475 1.9280 PRESSURE: 4141200 -69.0086 -47.3174 331.327 -47.3168 -137.322 6.03932 331.326 6.03923 152.043 GPRESSURE: 4141200 -31.2894 -53.144 319.547 49.3383 -42.85 -18.5124 252.247 -77.3114 84.6333 PRESSAVG: 4141200 37.8951 28.9653 52.4016 28.9653 -21.016 8.816 52.4016 8.81597 -3.56672 GPRESSAVG: 4141200 36.3589 28.2041 50.4019 27.3082 -20.8517 9.95326 52.5079 6.03622 -2.65554 TIMING: 4141200 CPU: 13146.6, 0.00312527/step Wall: 13146.6, 0.00312527/step, 0.74555 hours remaining, 241.382812 MB of memory in use. ENERGY: 4141200 4062.3794 20339.4660 14456.6603 242.1873 -203693.5569 2628.6405 0.0000 0.0000 52071.0192 -109893.2043 299.2529 -161964.2235 -109535.0499 298.6182 -18.0958 3.4980 760269.2194 4.4375 4.2839 PRESSURE: 4141400 -207.067 -46.8525 74.953 -46.8529 -357.806 196.412 74.9529 196.412 1.82255 GPRESSURE: 4141400 -235.815 -35.2131 85.1541 81.8294 -293.756 140.608 -2.16509 148.661 62.6938 PRESSAVG: 4141400 -4.79611 -9.75135 -62.4708 -9.75127 -38.4795 -18.4527 -62.4708 -18.4528 18.8253 GPRESSAVG: 4141400 -3.63638 -10.4786 -61.2315 -7.60738 -39.4139 -19.0819 -61.6871 -16.9861 18.7598 TIMING: 4141400 CPU: 13147.2, 0.00314306/step Wall: 13147.2, 0.00314306/step, 0.74962 hours remaining, 241.382812 MB of memory in use. ENERGY: 4141400 3966.4633 20452.7822 14479.2787 227.3220 -203544.6529 2402.3284 0.0000 0.0000 51937.9186 -110078.5598 298.4879 -162016.4784 -109718.3799 298.8995 -187.6837 -155.6258 760738.8599 -8.1501 -8.0968 PRESSURE: 4141600 -115.177 3.07448 -120.279 3.07404 -545.687 103.413 -120.28 103.412 -92.8397 GPRESSURE: 4141600 -63.5279 -59.7858 -89.3739 9.95724 -490.815 111.44 -178.296 210.52 -104.964 PRESSAVG: 4141600 33.3616 16.8576 -36.6181 16.8576 -23.404 33.4897 -36.6181 33.4897 -2.6854 GPRESSAVG: 4141600 32.4072 15.9286 -35.9197 16.0376 -21.4999 36.3466 -37.1077 33.4101 -3.78762 TIMING: 4141600 CPU: 13147.9, 0.0031353/step Wall: 13147.9, 0.0031353/step, 0.747595 hours remaining, 241.382812 MB of memory in use. ENERGY: 4141600 4061.0165 20347.3965 14432.0839 248.5940 -203704.1716 2490.6901 0.0000 0.0000 52028.2524 -110096.1382 299.0071 -162124.3906 -109735.6814 298.4248 -251.2346 -219.7692 758804.9657 2.4241 2.3732 PRESSURE: 4141800 260.537 124.01 63.0845 124.011 -33.8072 -32.9737 63.0843 -32.973 302.874 GPRESSURE: 4141800 270.164 -31.9494 -4.11403 261.804 46.0044 -18.0854 64.2132 70.5769 311.891 PRESSAVG: 4141800 -25.5753 47.9421 -1.9657 47.9421 -0.386713 -31.7694 -1.96571 -31.7695 -31.4105 GPRESSAVG: 4141800 -25.3664 46.7645 -3.07646 48.2659 -2.02449 -34.7925 -1.6715 -33.2058 -29.5592 TIMING: 4141800 CPU: 13148.5, 0.003117/step Wall: 13148.5, 0.003117/step, 0.743059 hours remaining, 241.382812 MB of memory in use. ENERGY: 4141800 3945.8488 20408.7443 14484.4036 219.9135 -203427.9145 2398.6174 0.0000 0.0000 52138.6375 -109831.7494 299.6415 -161970.3869 -109466.3643 299.2697 176.5349 209.3530 758305.4528 -19.1242 -18.9834 PRESSURE: 4142000 -409.443 27.6749 69.6213 27.6755 111.783 1.25975 69.6219 1.26028 -65.808 GPRESSURE: 4142000 -341.99 14.5661 40.9607 19.1278 154.98 22.384 47.7439 -11.796 -102.183 PRESSAVG: 4142000 -18.9748 -18.6768 -10.6563 -18.6768 14.5988 -38.4123 -10.6562 -38.4122 -2.79063 GPRESSAVG: 4142000 -19.4913 -18.3285 -9.51771 -19.6641 15.0302 -37.5871 -10.7669 -38.553 -2.30042 TIMING: 4142000 CPU: 13149.1, 0.00310914/step Wall: 13149.1, 0.00310914/step, 0.741012 hours remaining, 241.382812 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: 4142000 4069.9500 20446.9343 14466.0957 248.6642 -203837.3204 2601.1473 0.0000 0.0000 52247.1409 -109757.3879 300.2650 -162004.5289 -109393.6061 299.3983 -121.1561 -96.3977 758586.7266 -2.3889 -2.2538 PRESSURE: 4142200 -220.529 -169.905 147.335 -169.905 -59.2466 149.538 147.335 149.538 -320.168 GPRESSURE: 4142200 -178.853 -31.9399 160.033 -218.135 -8.71496 160.157 170.776 50.0414 -336.734 PRESSAVG: 4142200 -12.5433 -6.06349 -29.7211 -6.06354 14.2379 -25.5831 -29.7211 -25.5832 16.2602 GPRESSAVG: 4142200 -12.0429 -5.49581 -30.2731 -5.60084 14.3906 -26.3465 -31.9694 -25.3097 15.2799 TIMING: 4142200 CPU: 13149.7, 0.00311081/step Wall: 13149.7, 0.00311081/step, 0.741237 hours remaining, 241.382812 MB of memory in use. ENERGY: 4142200 4068.3195 20565.6906 14443.7235 239.9487 -203863.7264 2797.7843 0.0000 0.0000 51940.5485 -109807.7112 298.5030 -161748.2596 -109455.3733 299.4362 -199.9813 -174.7673 758997.1565 5.9850 5.8759 PRESSURE: 4142400 25.5744 -28.996 149.535 -28.9964 538.117 123.842 149.536 123.843 272.182 GPRESSURE: 4142400 69.6793 -81.4318 151.583 72.7219 491.502 151.037 147.759 228.467 356.283 PRESSAVG: 4142400 -35.3919 -26.647 -4.97042 -26.647 5.47057 -17.8175 -4.97037 -17.8175 2.80594 GPRESSAVG: 4142400 -35.0559 -25.1122 -4.57042 -25.2409 4.48253 -17.7023 -1.18443 -16.9969 2.92043 TIMING: 4142400 CPU: 13150.3, 0.00312284/step Wall: 13150.3, 0.00312284/step, 0.743931 hours remaining, 241.382812 MB of memory in use. ENERGY: 4142400 3983.2310 20606.6533 14557.4814 242.7779 -203992.9760 2772.1497 0.0000 0.0000 52027.9008 -109802.7818 299.0051 -161830.6826 -109436.0770 299.4491 278.6243 305.8213 758431.5734 -9.0385 -9.2177 PRESSURE: 4142600 125.356 183.093 68.8242 183.093 48.097 -34.8946 68.8242 -34.8953 109.262 GPRESSURE: 4142600 197.427 173.967 20.8538 302.395 102.459 -71.4248 -76.6397 -145.289 82.3964 PRESSAVG: 4142600 22.6463 -21.7292 -26.6237 -21.7293 -18.9742 -24.8058 -26.6238 -24.8059 -0.493457 GPRESSAVG: 4142600 22.2293 -23.182 -28.9046 -22.8423 -18.0698 -23.2013 -29.1032 -24.4234 -0.776357 TIMING: 4142600 CPU: 13151, 0.00310798/step Wall: 13151, 0.00310798/step, 0.740217 hours remaining, 241.382812 MB of memory in use. ENERGY: 4142600 3896.0770 20671.3557 14497.8477 252.0599 -203854.2187 2811.7753 0.0000 0.0000 52082.6416 -109642.4615 299.3197 -161725.1032 -109282.6137 299.4370 94.2382 127.4275 759305.4522 1.0595 1.1277 PRESSURE: 4142800 56.9873 104.484 9.93821 104.484 -85.1246 -357.774 9.93878 -357.773 49.4248 GPRESSURE: 4142800 82.0667 92.347 32.9118 177.52 -59.4469 -337.541 30.2238 -349.319 62.2825 PRESSAVG: 4142800 43.1552 30.7209 -1.4772 30.7208 -13.3591 -32.3944 -1.47721 -32.3943 -22.123 GPRESSAVG: 4142800 42.4319 31.4086 -1.90901 29.1167 -13.1032 -34.6828 -1.34721 -31.771 -21.3219 TIMING: 4142800 CPU: 13151.6, 0.00313658/step Wall: 13151.6, 0.00313658/step, 0.746855 hours remaining, 241.382812 MB of memory in use. ENERGY: 4142800 4021.1602 20479.8231 14468.3792 263.8232 -203988.9909 2874.6063 0.0000 0.0000 52354.4061 -109526.7928 300.8815 -161881.1989 -109162.4565 300.0335 7.0958 28.3007 762151.6263 2.5577 2.6689 PRESSURE: 4143000 64.1076 -62.5754 -120.062 -62.5759 50.2989 -149.091 -120.062 -149.091 137.62 GPRESSURE: 4143000 134.425 23.4948 -89.0798 -171.492 47.1393 -112.739 -127.383 -150.111 151.543 PRESSAVG: 4143000 -13.0542 -22.1567 -8.34265 -22.1567 -15.8001 22.9004 -8.34262 22.9003 26.16 GPRESSAVG: 4143000 -10.4376 -21.688 -6.29912 -19.9806 -17.2775 24.2157 -7.13585 21.3556 25.4787 TIMING: 4143000 CPU: 13152.2, 0.0031405/step Wall: 13152.2, 0.00314049/step, 0.747612 hours remaining, 241.382812 MB of memory in use. ENERGY: 4143000 3922.0233 20557.7774 14495.5812 241.6200 -203445.1897 2492.0492 0.0000 0.0000 52096.3346 -109639.8040 299.3984 -161736.1386 -109267.4986 299.4907 84.0089 111.0358 762592.7475 -0.8981 -0.7455 PRESSURE: 4143200 283.32 -22.6369 249.497 -22.6366 281.877 -108.139 249.497 -108.137 -153.481 GPRESSURE: 4143200 222.958 -13.6463 270.449 -39.1641 344.705 -108.256 338.886 -283.166 -67.9613 PRESSAVG: 4143200 -22.4882 -16.0562 11.2106 -16.0563 3.02023 -9.38181 11.2106 -9.38175 6.82556 GPRESSAVG: 4143200 -24.6702 -15.2361 9.9215 -16.5829 4.81719 -10.4374 11.4215 -10.4937 8.02485 TIMING: 4143200 CPU: 13152.8, 0.00310518/step Wall: 13152.8, 0.00310518/step, 0.739032 hours remaining, 241.382812 MB of memory in use. ENERGY: 4143200 3988.0617 20492.1277 14477.5987 241.6668 -203583.4464 2692.7059 0.0000 0.0000 51903.8646 -109787.4210 298.2922 -161691.2856 -109419.9217 299.6639 137.2387 166.5673 761105.3666 -4.2141 -3.9427 PRESSURE: 4143400 -24.9253 184.842 220.36 184.843 120.071 125.344 220.36 125.343 -135.01 GPRESSURE: 4143400 -0.473906 141.852 106.723 86.4369 196.109 -31.9954 232.846 101.098 -160.829 PRESSAVG: 4143400 -20.3504 -0.585998 30.1559 -0.586 -24.9146 -35.0349 30.1558 -35.0349 20.3816 GPRESSAVG: 4143400 -20.0876 -1.59723 31.7116 -0.586097 -25.3876 -34.7987 29.4179 -33.4786 20.4092 TIMING: 4143400 CPU: 13153.5, 0.00311105/step Wall: 13153.5, 0.00311105/step, 0.740257 hours remaining, 241.382812 MB of memory in use. ENERGY: 4143400 3967.2266 20490.2860 14456.4955 244.4938 -203687.8452 2485.5436 0.0000 0.0000 52421.5439 -109622.2559 301.2673 -162043.7998 -109262.4901 299.5226 -13.2879 11.6018 759705.8842 -8.2945 -8.3553 PRESSURE: 4143600 -204.73 -23.0787 -18.2707 -23.0787 84.0709 4.07275 -18.2698 4.07298 19.6987 GPRESSURE: 4143600 -166.161 50.5241 25.595 -29.6391 99.1986 52.7466 -37.2411 44.5924 62.5888 PRESSAVG: 4143600 1.11494 -22.8418 -11.8706 -22.8417 -16.8682 6.06089 -11.8706 6.06084 11.5563 GPRESSAVG: 4143600 2.53553 -24.2786 -12.3087 -24.2498 -18.1648 7.79108 -12.4889 5.40081 11.8465 TIMING: 4143600 CPU: 13154.1, 0.00313178/step Wall: 13154.1, 0.00313178/step, 0.745016 hours remaining, 241.382812 MB of memory in use. ENERGY: 4143600 4000.3266 20668.1416 14462.3448 241.1932 -203396.0875 2466.8669 0.0000 0.0000 51875.8132 -109681.4012 298.1310 -161557.2144 -109312.9346 299.0363 -33.6534 -1.4579 759877.1969 -1.3990 -1.2609 PRESSURE: 4143800 -242.052 138.554 120.28 138.553 46.7122 -175.54 120.28 -175.54 18.4826 GPRESSURE: 4143800 -217.321 59.3099 112.921 147.062 39.4882 -133.25 36.6787 -133.759 75.8339 PRESSAVG: 4143800 1.60791 17.6919 7.35702 17.6919 21.2184 -42.8829 7.35702 -42.8828 13.6304 GPRESSAVG: 4143800 1.4223 20.9633 5.3675 17.2387 21.3478 -42.7152 8.4849 -44.8664 13.2366 TIMING: 4143800 CPU: 13154.7, 0.00312793/step Wall: 13154.7, 0.00312794/step, 0.743927 hours remaining, 241.382812 MB of memory in use. ENERGY: 4143800 3983.8868 20490.9867 14442.1660 234.7577 -203972.0702 2717.2458 0.0000 0.0000 52308.3301 -109794.6970 300.6167 -162103.0271 -109424.4896 299.3507 -58.9524 -33.9996 760519.1041 12.1523 12.0022 PRESSURE: 4144000 16.5284 134.919 113.327 134.919 -160.319 -11.3022 113.327 -11.3014 -185.867 GPRESSURE: 4144000 16.5251 77.4672 64.969 90.7414 -119.236 -27.2419 189.812 14.5002 -141.408 PRESSAVG: 4144000 28.0199 -25.4676 -8.62758 -25.4676 3.88168 21.2916 -8.62758 21.2916 0.926932 GPRESSAVG: 4144000 29.1696 -27.8644 -8.04472 -23.8769 3.6552 19.5655 -8.75999 24.5158 -0.0676345 TIMING: 4144000 CPU: 13155.3, 0.00313274/step Wall: 13155.3, 0.00313274/step, 0.744895 hours remaining, 241.382812 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: 4144000 3986.1307 20687.1130 14491.1214 258.0000 -203780.4158 2448.8724 0.0000 0.0000 51992.6861 -109916.4921 298.8027 -161909.1782 -109560.8160 299.2513 -109.8857 -81.3732 759789.5796 10.9428 10.9190 PRESSURE: 4144200 -50.3591 23.5011 -39.7183 23.5013 72.3402 -47.9724 -39.7184 -47.9718 -131.622 GPRESSURE: 4144200 -34.2654 180.445 39.3911 124.187 142.879 -62.496 -166.746 -102.521 -141.527 PRESSAVG: 4144200 -7.19564 19.368 -10.4811 19.368 -10.7737 -3.67327 -10.4811 -3.67332 -2.48814 GPRESSAVG: 4144200 -7.87553 20.7802 -9.02159 17.0264 -10.1501 -3.5189 -11.5681 -4.27757 -2.57962 TIMING: 4144200 CPU: 13156, 0.00312396/step Wall: 13156, 0.00312396/step, 0.742636 hours remaining, 241.382812 MB of memory in use. ENERGY: 4144200 3944.2102 20529.9710 14457.5559 245.8580 -203440.2695 2505.2223 0.0000 0.0000 51836.9271 -109920.5251 297.9075 -161757.4522 -109565.2173 299.0460 -36.5471 -10.9711 760871.6276 -6.8191 -6.8684 LDB: ============= START OF LOAD BALANCING ============== 13168.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13168.4 LDB: =============== DONE WITH MIGRATION ================ 13168.4 LDB: ============= START OF LOAD BALANCING ============== 13168.7 LDB: Largest compute 7032 load 0.034550 is 17.7% of average load 0.195454 LDB: Average compute 0.004403 is 2.3% of average load 0.195454 LDB: TIME 13168.7 LOAD: AVG 0.195454 MAX 0.214551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 13168.7 LOAD: AVG 0.195454 MAX 0.214551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.219 MB LDB: TIME 13168.7 LOAD: AVG 0.195454 MAX 0.214551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.219 MB LDB: ============== END OF LOAD BALANCING =============== 13168.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13168.8 PRESSURE: 4144400 178.263 -205.889 -136.959 -205.889 -46.9103 258.64 -136.959 258.641 111.898 GPRESSURE: 4144400 107.709 -202.332 -6.08219 -109.413 75.4716 234.249 2.78109 207.077 114.203 PRESSAVG: 4144400 8.37391 -13.1559 -27.8519 -13.1559 16.7156 -0.273423 -27.8519 -0.273387 -11.2534 GPRESSAVG: 4144400 6.92487 -15.3903 -27.6626 -10.5466 17.1849 0.220404 -24.7153 0.401691 -10.9285 TIMING: 4144400 CPU: 13156.6, 0.00322937/step Wall: 13156.6, 0.00322937/step, 0.767513 hours remaining, 240.808594 MB of memory in use. ENERGY: 4144400 3978.9603 20725.3307 14356.0485 264.7971 -203686.5338 2596.3651 0.0000 0.0000 51823.8224 -109941.2097 297.8322 -161765.0320 -109571.7985 298.3740 81.0834 99.1280 761082.0079 4.6120 4.3938 PRESSURE: 4144600 71.0222 49.0087 10.3281 49.0087 348.963 -57.9163 10.3283 -57.916 351.399 GPRESSURE: 4144600 138.994 248.517 -66.256 -21.9747 412.009 -89.7008 -53.2394 2.59533 285.358 PRESSAVG: 4144600 13.1446 46.8271 -62.0616 46.8271 13.045 -1.08106 -62.0616 -1.08113 -17.3092 GPRESSAVG: 4144600 12.8573 48.3439 -61.7943 45.5501 12.7074 -0.60951 -63.7057 -0.258234 -17.2 TIMING: 4144600 CPU: 13157.2, 0.00311999/step Wall: 13157.2, 0.00311999/step, 0.741344 hours remaining, 240.808594 MB of memory in use. ENERGY: 4144600 3940.1860 20610.4021 14471.8193 231.8941 -203849.9071 2709.6402 0.0000 0.0000 51908.6796 -109977.2860 298.3199 -161885.9656 -109620.1135 298.4738 257.1282 278.7869 758360.5905 2.9601 2.7882 PRESSURE: 4144800 162.749 304.656 -118.887 304.656 100.446 -84.3585 -118.887 -84.3574 402.741 GPRESSURE: 4144800 243.099 173.943 -85.0329 289.929 85.468 -139.055 -20.4771 0.763975 459.698 PRESSAVG: 4144800 7.18004 28.6762 -21.0889 28.6763 -14.0267 7.27385 -21.0889 7.27394 -4.01372 GPRESSAVG: 4144800 7.96567 28.9582 -22.3495 26.9801 -15.0923 7.74865 -22.6496 5.42406 -3.65033 TIMING: 4144800 CPU: 13157.9, 0.00312097/step Wall: 13157.9, 0.00312097/step, 0.741405 hours remaining, 240.808594 MB of memory in use. ENERGY: 4144800 4053.7946 20452.9462 14412.2058 247.3271 -203704.1118 2782.9841 0.0000 0.0000 51990.0215 -109764.8326 298.7874 -161754.8540 -109405.3334 298.9028 221.9788 262.7550 757942.1551 -3.6201 -3.5923 PRESSURE: 4145000 296.927 -190.464 27.3293 -190.464 199.035 201.078 27.3291 201.078 -280.213 GPRESSURE: 4145000 367.187 -171.409 -78.912 -230.399 192.847 168.445 103.11 291.249 -223.779 PRESSAVG: 4145000 30.7652 11.8354 -30.072 11.8354 -14.8012 13.2592 -30.072 13.2592 40.9867 GPRESSAVG: 4145000 31.3769 9.88611 -30.2491 14.3928 -14.5096 12.6578 -27.3542 15.9409 39.7727 TIMING: 4145000 CPU: 13158.5, 0.00312777/step Wall: 13158.5, 0.00312777/step, 0.742846 hours remaining, 240.808594 MB of memory in use. ENERGY: 4145000 3986.0749 20512.5704 14453.1538 237.9448 -203734.3282 2962.4227 0.0000 0.0000 52019.7723 -109562.3892 298.9583 -161582.1615 -109194.6020 299.5743 71.9161 112.0850 760797.9271 18.9835 18.8800 PRESSURE: 4145200 426.801 -143.555 -2.60584 -143.555 128.37 -145.03 -2.60627 -145.029 60.4075 GPRESSURE: 4145200 510.005 -261.68 12.5654 -16.0369 119.905 -151.842 -14.2443 -108.496 81.0316 PRESSAVG: 4145200 -52.0289 16.4159 -24.8166 16.4159 12.3795 -51.0891 -24.8166 -51.089 -17.5504 GPRESSAVG: 4145200 -51.8655 15.7709 -23.82 17.7251 10.5787 -51.0362 -26.378 -51.6944 -16.7963 TIMING: 4145200 CPU: 13159.1, 0.00314588/step Wall: 13159.1, 0.00314589/step, 0.746973 hours remaining, 240.808594 MB of memory in use. ENERGY: 4145200 3888.0354 20598.5139 14481.6722 248.4899 -203927.6324 3048.0560 0.0000 0.0000 52128.6465 -109534.2185 299.5840 -161662.8650 -109166.8101 299.2175 205.1928 236.9808 761062.6600 -19.0666 -19.3610 PRESSURE: 4145400 30.1515 -94.3472 339.038 -94.3467 -91.4306 -81.8494 339.037 -81.8495 340.93 GPRESSURE: 4145400 37.9396 -134.186 277.149 -168.361 -59.8262 -81.5845 303.477 -125.888 357.891 PRESSAVG: 4145400 -3.1237 7.23661 -29.4922 7.23659 18.7449 -16.7357 -29.4922 -16.7356 6.60335 GPRESSAVG: 4145400 -3.45355 8.84068 -30.7131 4.52923 19.0114 -15.3923 -28.1493 -18.918 5.90417 TIMING: 4145400 CPU: 13159.7, 0.00314069/step Wall: 13159.7, 0.00314069/step, 0.745565 hours remaining, 240.808594 MB of memory in use. ENERGY: 4145400 3909.3671 20518.7635 14451.1323 248.2601 -203488.5523 2785.8940 0.0000 0.0000 52086.3824 -109488.7528 299.3412 -161575.1352 -109130.8414 300.0998 93.2170 112.0015 761580.0747 7.4082 7.1540 PRESSURE: 4145600 90.7741 -223.076 -98.0922 -223.075 98.2729 -27.0954 -98.0931 -27.0947 129.077 GPRESSURE: 4145600 24.9062 -164.375 -70.9892 -129.023 163.536 27.5651 -167.32 -80.6358 196.84 PRESSAVG: 4145600 -24.2677 18.7798 -32.8214 18.7799 -16.2532 32.8889 -32.8214 32.8889 -26.5977 GPRESSAVG: 4145600 -25.5221 18.209 -31.1521 18.2039 -14.9025 31.5842 -33.2104 35.3899 -26.5044 TIMING: 4145600 CPU: 13160.4, 0.00311518/step Wall: 13160.4, 0.00311518/step, 0.739336 hours remaining, 240.808594 MB of memory in use. ENERGY: 4145600 3985.3685 20526.0413 14404.8412 236.9534 -202738.7847 2377.6859 0.0000 0.0000 51810.5149 -109397.3795 297.7557 -161207.8945 -109033.1220 299.6960 106.0414 128.4274 760316.2428 -22.3729 -22.3097 PRESSURE: 4145800 -276.603 -35.9282 -62.7967 -35.929 -85.3253 23.1758 -62.7968 23.175 -309.975 GPRESSURE: 4145800 -134.15 93.8692 -137.956 -217.033 -114.265 35.4378 -67.0188 -74.4569 -329.468 PRESSAVG: 4145800 47.6623 -32.6839 -72.5612 -32.684 -38.5775 48.3561 -72.5612 48.3562 27.3829 GPRESSAVG: 4145800 47.4269 -29.7309 -73.4433 -30.4718 -39.3843 48.9564 -72.7959 46.9409 27.7387 TIMING: 4145800 CPU: 13161, 0.00314226/step Wall: 13161, 0.00314226/step, 0.74559 hours remaining, 240.808594 MB of memory in use. ENERGY: 4145800 4072.6835 20539.5844 14451.3420 249.2156 -203136.7186 2490.8143 0.0000 0.0000 51895.0990 -109437.9799 298.2418 -161333.0789 -109080.0302 299.6628 -223.9676 -192.6276 759963.9725 12.1559 11.9271 PRESSURE: 4146000 -177.026 117.805 32.1823 117.806 -112.334 316.259 32.1819 316.259 -200.094 GPRESSURE: 4146000 -110.678 130.103 44.6668 -75.0187 -124.745 348.169 6.43673 259.492 -171.398 PRESSAVG: 4146000 40.182 -21.424 -42.714 -21.424 -25.3125 33.5518 -42.714 33.5519 -24.4569 GPRESSAVG: 4146000 40.579 -22.4465 -41.9591 -21.936 -26.1341 31.6263 -41.9655 35.5128 -23.8191 TIMING: 4146000 CPU: 13161.6, 0.00314321/step Wall: 13161.6, 0.00314321/step, 0.745639 hours remaining, 240.808594 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: 4146000 3984.3658 20629.6413 14474.1853 252.6552 -203230.1164 2383.4322 0.0000 0.0000 51999.8985 -109505.9381 298.8441 -161505.8367 -109137.0273 299.2165 -163.1513 -135.6071 759038.4027 -3.1958 -3.1247 PRESSURE: 4146200 431.395 54.6922 9.32669 54.6922 -197.181 -3.32049 9.32574 -3.32017 470.439 GPRESSURE: 4146200 451.836 -19.533 59.6641 129.963 -26.1282 -17.0055 -26.0565 5.24507 368.091 PRESSAVG: 4146200 6.57082 -17.9885 -55.9123 -17.9885 -41.567 69.1773 -55.9124 69.1772 1.56542 GPRESSAVG: 4146200 5.9017 -20.2385 -56.8219 -18.0664 -39.887 69.7991 -57.137 66.9943 0.297682 TIMING: 4146200 CPU: 13162.3, 0.0031382/step Wall: 13162.3, 0.0031382/step, 0.744276 hours remaining, 240.808594 MB of memory in use. ENERGY: 4146200 3998.1887 20511.0126 14458.9571 259.2755 -203780.7641 2947.8473 0.0000 0.0000 51928.3684 -109677.1144 298.4330 -161605.4828 -109319.4603 299.4542 234.8842 264.5995 760063.8369 -11.1436 -11.2292 PRESSURE: 4146400 -201.776 -272.14 -36.7459 -272.139 -486.447 78.892 -36.7459 78.8931 -36.9591 GPRESSURE: 4146400 -140.845 -117.545 -12.0013 -310.925 -486.21 23.3831 -162.383 178.944 -10.8108 PRESSAVG: 4146400 46.5163 6.13166 -51.4754 6.13164 -102.753 26.1879 -51.4754 26.1879 -20.9425 GPRESSAVG: 4146400 46.5651 8.5022 -50.2638 6.79943 -104.201 25.9127 -52.5907 28.3306 -19.9204 TIMING: 4146400 CPU: 13162.9, 0.00310026/step Wall: 13162.9, 0.00310025/step, 0.735105 hours remaining, 240.808594 MB of memory in use. ENERGY: 4146400 4030.5359 20505.0530 14475.1085 258.7700 -203013.4568 2025.8863 0.0000 0.0000 52036.9054 -109681.1977 299.0568 -161718.1031 -109309.1432 299.5512 -241.7274 -212.6220 759528.0950 -25.7264 -25.8520 PRESSURE: 4146600 -246.312 35.7684 -90.0206 35.7689 -380.613 -117.078 -90.0196 -117.079 -86.9223 GPRESSURE: 4146600 -213.826 57.5963 -30.3879 60.2237 -357.528 -155.623 -128.801 -57.2462 -70.5871 PRESSAVG: 4146600 94.0625 -20.4255 -4.21838 -20.4255 -44.1961 -5.32175 -4.21841 -5.32177 -8.88387 GPRESSAVG: 4146600 94.6007 -21.2725 -5.63417 -21.774 -43.7534 -5.8929 -2.5941 -5.71046 -9.51737 TIMING: 4146600 CPU: 13163.5, 0.00313514/step Wall: 13163.5, 0.00313514/step, 0.743203 hours remaining, 240.808594 MB of memory in use. ENERGY: 4146600 4009.3126 20522.3041 14487.6393 248.9565 -203453.0810 2479.8210 0.0000 0.0000 52083.0703 -109621.9772 299.3221 -161705.0475 -109262.6544 299.7169 -237.9490 -213.9804 758952.2544 13.6608 13.7767 PRESSURE: 4146800 66.4316 -76.4153 11.8729 -76.4165 -91.8109 -83.5322 11.8734 -83.5314 -29.2812 GPRESSURE: 4146800 88.7576 -115.935 -11.1668 -7.33411 -148.63 -46.1822 49.0498 -146.423 56.9913 PRESSAVG: 4146800 18.3661 -14.9637 -17.2543 -14.9638 -44.6194 -20.7772 -17.2542 -20.7771 4.65366 GPRESSAVG: 4146800 17.658 -13.6469 -16.6856 -14.3741 -44.7464 -18.8661 -17.0979 -20.2835 5.36837 TIMING: 4146800 CPU: 13164.1, 0.00314211/step Wall: 13164.1, 0.00314211/step, 0.744681 hours remaining, 240.808594 MB of memory in use. ENERGY: 4146800 3958.6524 20540.9533 14486.8740 253.4809 -203356.9771 2397.4391 0.0000 0.0000 51937.1468 -109782.4305 298.4835 -161719.5774 -109420.8146 299.2491 -18.2202 -0.9605 759611.6625 -7.1999 -7.2400 PRESSURE: 4147000 15.9339 44.1942 243.988 44.1946 -89.2476 -151.203 243.989 -151.203 -67.8134 GPRESSURE: 4147000 53.8462 93.1028 266.577 -57.2422 -104.662 -19.3213 157.949 -149.617 -18.4121 PRESSAVG: 4147000 -43.1786 -42.9227 -14.4681 -42.9228 2.74642 5.52624 -14.468 5.52626 4.90795 GPRESSAVG: 4147000 -42.0579 -44.6874 -14.373 -43.8414 2.12109 4.55113 -14.8567 1.95227 4.49024 TIMING: 4147000 CPU: 13164.8, 0.00312556/step Wall: 13164.8, 0.00312556/step, 0.740584 hours remaining, 240.808594 MB of memory in use. ENERGY: 4147000 3924.3313 20744.9643 14465.0312 261.3578 -203565.4305 2542.8018 0.0000 0.0000 51986.0864 -109640.8577 298.7648 -161626.9441 -109285.3467 299.2003 -47.0424 -23.0759 760837.9868 -11.8414 -11.8155 PRESSURE: 4147200 -138.294 79.026 -45.9692 79.0254 -335.287 -67.7704 -45.9693 -67.7718 -186.504 GPRESSURE: 4147200 -67.647 66.2376 -35.1685 25.6688 -402.425 19.7519 -79.7778 -89.3205 -92.559 PRESSAVG: 4147200 0.838108 -21.9274 -8.03445 -21.9274 -41.72 42.7382 -8.03447 42.7381 4.80562 GPRESSAVG: 4147200 -0.173759 -21.9465 -8.82126 -21.3531 -40.9043 42.5117 -7.56206 47.1761 4.96267 TIMING: 4147200 CPU: 13165.4, 0.00314/step Wall: 13165.4, 0.00314/step, 0.743831 hours remaining, 240.808594 MB of memory in use. ENERGY: 4147200 3974.6126 20582.2179 14508.5335 257.6291 -203147.4231 2284.9095 0.0000 0.0000 51961.8593 -109577.6611 298.6255 -161539.5204 -109218.9685 299.5541 -220.0282 -187.5438 761926.1158 -12.0254 -12.0385 PRESSURE: 4147400 -14.505 358.454 68.0673 358.455 -269.336 82.1507 68.0661 82.1507 121.662 GPRESSURE: 4147400 -19.9204 307.683 17.2144 351.978 -228.236 74.1326 -100.012 49.288 179.292 PRESSAVG: 4147400 -78.1814 -5.23811 4.12017 -5.23815 38.6146 2.16788 4.12012 2.16782 19.1948 GPRESSAVG: 4147400 -77.2912 -4.28053 3.84857 -6.27691 37.3074 3.24566 3.09327 0.797344 19.2855 TIMING: 4147400 CPU: 13166, 0.00315011/step Wall: 13166, 0.00315012/step, 0.746052 hours remaining, 240.808594 MB of memory in use. ENERGY: 4147400 3957.1169 20630.9825 14464.5382 231.5682 -203172.9746 2440.8842 0.0000 0.0000 52026.2758 -109421.6088 298.9957 -161447.8846 -109059.5130 299.7351 -54.0596 -22.9546 762154.3909 -6.7907 -6.8994 PRESSURE: 4147600 -524.214 91.684 25.8633 91.6837 -413.072 -70.5279 25.863 -70.527 -114.486 GPRESSURE: 4147600 -374.421 159.374 64.5168 15.3896 -388.763 -114.158 -41.4942 -167.339 -206.36 PRESSAVG: 4147600 17.7085 -33.3374 8.16961 -33.3375 -45.5128 -23.5787 8.16961 -23.5787 9.88809 GPRESSAVG: 4147600 17.5759 -32.7499 9.47029 -32.1754 -44.5656 -25.2096 10.0305 -23.958 8.91894 TIMING: 4147600 CPU: 13166.6, 0.00314059/step Wall: 13166.6, 0.00314059/step, 0.743622 hours remaining, 240.808594 MB of memory in use. ENERGY: 4147600 4024.1388 20599.9318 14420.4621 240.9044 -202707.0011 1979.4453 0.0000 0.0000 52012.2004 -109429.9182 298.9148 -161442.1186 -109073.3053 299.7160 -350.5908 -323.1810 761729.0091 -5.9721 -6.0236 PRESSURE: 4147800 40.8377 12.0473 190.45 12.048 -357.563 -108.132 190.451 -108.131 -285.526 GPRESSURE: 4147800 71.4175 32.4872 192.291 -38.8313 -329.578 -69.5046 125.456 -248.469 -256.158 PRESSAVG: 4147800 51.8959 -30.3142 -18.9846 -30.3142 -22.6208 12.1236 -18.9845 12.1236 4.39826 GPRESSAVG: 4147800 51.8392 -32.648 -17.3783 -30.6231 -21.3542 12.6059 -20.0202 11.2443 3.73896 TIMING: 4147800 CPU: 13167.3, 0.00316996/step Wall: 13167.3, 0.00316996/step, 0.7504 hours remaining, 240.808594 MB of memory in use. ENERGY: 4147800 4034.1039 20663.6941 14413.0019 248.2223 -203363.9811 2497.5463 0.0000 0.0000 51986.5172 -109520.8954 298.7672 -161507.4126 -109160.3340 299.4358 -200.7506 -171.4395 761194.2987 11.2245 11.4080 PRESSURE: 4148000 98.8644 103.626 41.3009 103.626 -411.015 161.273 41.3006 161.273 294.055 GPRESSURE: 4148000 88.734 137.68 84.7798 104.542 -321.672 130.083 -62.7078 127.759 269.422 PRESSAVG: 4148000 28.3076 16.324 -24.5858 16.3241 -38.0221 53.7005 -24.5859 53.7005 15.4424 GPRESSAVG: 4148000 27.8189 15.9316 -26.7186 18.1979 -37.5336 52.2739 -21.555 54.4781 14.8746 TIMING: 4148000 CPU: 13167.9, 0.00313613/step Wall: 13167.9, 0.00313613/step, 0.742218 hours remaining, 240.808594 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: 4148000 4010.5285 20532.0588 14419.1918 268.6389 -203193.3677 2491.8955 0.0000 0.0000 52143.0423 -109328.0119 299.6668 -161471.0543 -108962.4188 299.6000 -6.0319 12.1612 758497.3668 1.9093 1.7199 PRESSURE: 4148200 -178.885 79.2446 187.066 79.2437 143.894 -101.755 187.066 -101.755 -314.601 GPRESSURE: 4148200 -143.762 49.3093 208.934 155.088 174.689 -141.397 176.107 -259.651 -284.962 PRESSAVG: 4148200 26.1963 -6.80797 18.0696 -6.80798 -41.6146 -14.0089 18.0695 -14.009 6.62852 GPRESSAVG: 4148200 26.3321 -5.40601 18.6019 -8.48739 -42.237 -13.9315 15.9467 -14.9558 7.0118 TIMING: 4148200 CPU: 13168.5, 0.00314841/step Wall: 13168.5, 0.00314841/step, 0.744949 hours remaining, 240.808594 MB of memory in use. ENERGY: 4148200 3952.8302 20560.7221 14459.8255 266.7315 -203166.3866 2321.3971 0.0000 0.0000 52233.6722 -109371.2081 300.1876 -161604.8803 -109002.7139 299.8138 -116.5306 -84.6782 760554.9906 -2.9299 -2.9644 LDB: ============= START OF LOAD BALANCING ============== 13181 LDB: ============== END OF LOAD BALANCING =============== 13181 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13181 LDB: ============= START OF LOAD BALANCING ============== 13181.3 LDB: Largest compute 7056 load 0.037538 is 19.2% of average load 0.195443 LDB: Average compute 0.004409 is 2.3% of average load 0.195443 LDB: TIME 13181.3 LOAD: AVG 0.195443 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 13181.3 LOAD: AVG 0.195443 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: TIME 13181.3 LOAD: AVG 0.195443 MAX 0.217019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: ============== END OF LOAD BALANCING =============== 13181.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13181.3 PRESSURE: 4148400 -164.961 -33.1128 347.427 -33.113 129.154 -29.3579 347.427 -29.3576 -196.171 GPRESSURE: 4148400 -197.517 -144.156 349.697 -68.6399 197.432 -98.077 224.101 -45.0415 -144.825 PRESSAVG: 4148400 -23.7772 -46.6705 -13.4766 -46.6704 -25.4156 -3.63548 -13.4766 -3.63544 12.991 GPRESSAVG: 4148400 -23.0892 -49.1477 -12.3918 -46.8237 -25.2827 -2.19636 -12.6367 -4.32369 12.3643 TIMING: 4148400 CPU: 13169.2, 0.00322014/step Wall: 13169.2, 0.00322014/step, 0.761743 hours remaining, 240.031250 MB of memory in use. ENERGY: 4148400 4011.0686 20468.5266 14394.8024 246.7334 -203220.9796 2541.7787 0.0000 0.0000 52182.2017 -109375.8682 299.8918 -161558.0699 -109019.2211 299.7280 -77.3259 -48.3031 760975.6128 -12.0673 -12.0025 PRESSURE: 4148600 60.9814 -200.721 7.51701 -200.72 -85.6951 237.511 7.51707 237.512 -40.0836 GPRESSURE: 4148600 161.021 -226.873 17.383 -98.877 -186.603 207.306 156.222 263.123 31.9295 PRESSAVG: 4148600 13.5527 -44.1399 24.1767 -44.1399 7.78332 -10.9656 24.1767 -10.9656 15.857 GPRESSAVG: 4148600 13.5421 -42.9412 22.2304 -42.3368 7.76948 -11.6669 22.9857 -8.40017 16.023 TIMING: 4148600 CPU: 13169.8, 0.00316664/step Wall: 13169.8, 0.00316664/step, 0.748911 hours remaining, 240.031250 MB of memory in use. ENERGY: 4148600 3997.2285 20557.6781 14459.3374 264.9439 -203580.5039 2646.6524 0.0000 0.0000 52168.2927 -109486.3710 299.8119 -161654.6637 -109116.6307 300.0942 -21.5991 2.1159 760386.0495 12.3977 12.4449 PRESSURE: 4148800 68.5466 -174.859 32.447 -174.859 63.9695 -32.898 32.447 -32.8979 -113.593 GPRESSURE: 4148800 86.5803 -207.587 85.5531 -203.897 101.077 -82.5519 41.2033 84.3979 -96.1822 PRESSAVG: 4148800 -22.6057 -40.5162 4.05451 -40.5162 38.0432 -21.192 4.05454 -21.1921 6.79114 GPRESSAVG: 4148800 -22.7163 -39.7942 6.48967 -43.6641 38.233 -19.5942 6.34274 -22.6922 6.75646 TIMING: 4148800 CPU: 13170.4, 0.00315932/step Wall: 13170.4, 0.00315932/step, 0.747004 hours remaining, 240.031250 MB of memory in use. ENERGY: 4148800 4007.1959 20577.4311 14380.0057 240.3731 -204043.8267 2932.8182 0.0000 0.0000 52248.6919 -109657.3109 300.2740 -161906.0027 -109298.1300 299.9787 6.3078 30.4918 761297.9813 7.4095 7.4244 PRESSURE: 4149000 -275.207 -177.62 123.666 -177.62 -228.351 -76.8138 123.666 -76.8131 -220.944 GPRESSURE: 4149000 -295.448 -195.566 62.7362 -50.5051 -110.098 -98.5407 129.123 53.1962 -235.547 PRESSAVG: 4149000 -28.7336 -54.5517 17.2965 -54.5517 39.1887 -8.66285 17.2965 -8.6629 -0.800384 GPRESSAVG: 4149000 -28.4066 -53.7965 15.2071 -52.7194 38.9302 -10.0188 16.3782 -6.68405 -0.199072 TIMING: 4149000 CPU: 13171.1, 0.00317257/step Wall: 13171.1, 0.00317257/step, 0.749961 hours remaining, 240.031250 MB of memory in use. ENERGY: 4149000 4079.0560 20685.5803 14476.8492 244.3372 -203576.6166 2388.9238 0.0000 0.0000 51979.7191 -109722.1510 298.7282 -161701.8701 -109356.0802 299.5321 -241.5006 -213.6976 760741.9083 3.2182 3.4415 PRESSURE: 4149200 -76.5399 52.2443 -89.5862 52.2447 120.14 72.3083 -89.586 72.3089 10.1036 GPRESSURE: 4149200 -50.0317 21.6648 -48.6679 25.2876 189.494 59.0116 -67.4818 60.6595 -9.07278 PRESSAVG: 4149200 18.155 -43.8103 30.547 -43.8104 -1.04816 9.06788 30.547 9.0679 -5.75911 GPRESSAVG: 4149200 18.4704 -45.2742 31.6446 -44.6476 -0.109513 10.5275 29.3332 9.02209 -6.52643 TIMING: 4149200 CPU: 13171.7, 0.00315102/step Wall: 13171.7, 0.00315102/step, 0.744691 hours remaining, 240.031250 MB of memory in use. ENERGY: 4149200 4063.5303 20596.6171 14500.6056 255.3252 -203595.1546 2588.4588 0.0000 0.0000 52146.8998 -109443.7179 299.6889 -161590.6177 -109087.0372 299.6959 17.9012 43.4633 760627.6830 3.7826 3.9448 PRESSURE: 4149400 -39.0453 -198.458 2.6709 -198.458 112.808 89.1241 2.67112 89.1242 -256.925 GPRESSURE: 4149400 12.3569 -122.458 11.4909 -6.57034 82.2721 188.175 35.7144 114.58 -210.849 PRESSAVG: 4149400 30.6408 -42.0774 27.7094 -42.0774 -25.2123 15.1081 27.7095 15.1082 -0.269874 GPRESSAVG: 4149400 31.6831 -41.9953 27.124 -40.7669 -24.9133 14.178 27.4393 13.9356 -0.869949 TIMING: 4149400 CPU: 13172.3, 0.00315093/step Wall: 13172.3, 0.00315093/step, 0.744495 hours remaining, 240.031250 MB of memory in use. ENERGY: 4149400 3966.2564 20542.5837 14444.6492 254.8193 -203354.1448 2553.4792 0.0000 0.0000 51864.8087 -109727.5483 298.0678 -161592.3570 -109361.2266 299.3487 -61.0543 -38.7400 760435.4625 1.7195 1.9666 PRESSURE: 4149600 417.488 -123.57 -227.354 -123.57 226.906 34.2558 -227.355 34.2558 -86.7366 GPRESSURE: 4149600 342.93 -31.0527 -191.236 -219.347 284.813 38.7816 -314.587 102.605 8.62054 PRESSAVG: 4149600 -23.4118 -32.8838 -51.6037 -32.8838 45.3107 -27.9108 -51.6037 -27.9108 -5.84812 GPRESSAVG: 4149600 -25.2501 -32.9653 -49.6539 -34.6761 45.788 -29.1949 -50.5074 -25.2554 -4.9562 TIMING: 4149600 CPU: 13173, 0.00316244/step Wall: 13173, 0.00316244/step, 0.747039 hours remaining, 240.031250 MB of memory in use. ENERGY: 4149600 4011.6074 20530.8521 14526.7541 258.3474 -203607.5154 2708.2743 0.0000 0.0000 51932.6667 -109639.0135 298.4577 -161571.6802 -109278.1379 299.3157 185.8860 212.1214 759197.9620 5.3503 5.1939 PRESSURE: 4149800 -2.04293 -47.7585 -160.239 -47.7578 -112.697 -79.3916 -160.239 -79.3912 -157.821 GPRESSURE: 4149800 19.6795 -110.403 -182.682 19.2895 -37.8521 -23.5728 -94.8668 -80.7603 -131.47 PRESSAVG: 4149800 -40.0331 -56.829 -33.0706 -56.829 20.8192 -32.6651 -33.0705 -32.6652 -3.49123 GPRESSAVG: 4149800 -38.743 -55.7419 -34.3136 -54.8161 20.9781 -30.1891 -33.1332 -35.834 -4.68016 TIMING: 4149800 CPU: 13173.6, 0.00315275/step Wall: 13173.6, 0.00315275/step, 0.744575 hours remaining, 240.031250 MB of memory in use. ENERGY: 4149800 4041.1026 20617.9048 14416.8614 254.4331 -203944.5867 2829.8984 0.0000 0.0000 52019.8869 -109764.4996 298.9590 -161784.3865 -109397.7385 299.2732 -90.8537 -49.8810 757840.7499 -7.5684 -7.4817 PRESSURE: 4150000 -31.2563 6.18232 -152.857 6.18236 -94.7825 79.6776 -152.857 79.6777 -148.729 GPRESSURE: 4150000 25.6185 -99.036 -108.556 -104.38 -41.5625 125.279 -82.516 128.791 -182.009 PRESSAVG: 4150000 -39.7022 -56.9566 -38.2021 -56.9566 0.532172 30.6651 -38.2021 30.6651 8.40117 GPRESSAVG: 4150000 -41.1755 -58.0477 -37.5348 -57.1562 1.56295 29.8246 -39.6991 31.2859 9.16837 TIMING: 4150000 CPU: 13174.2, 0.0031633/step Wall: 13174.2, 0.0031633/step, 0.74689 hours remaining, 240.031250 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: 4150000 3863.4252 20608.2376 14398.0943 250.5925 -203630.1606 2471.1776 0.0000 0.0000 52331.1245 -109707.5090 300.7477 -162038.6335 -109340.1195 299.4895 -91.5892 -65.9843 760099.9840 -10.2563 -10.1480 PRESSURE: 4150200 259.217 -32.3443 -54.3443 -32.3446 170.378 -3.37781 -54.3449 -3.37805 -23.3278 GPRESSURE: 4150200 278.427 -79.1959 -47.5987 -38.7436 218.7 -52.5202 -195.657 -74.6807 -20.2135 PRESSAVG: 4150200 10.0117 -43.128 -35.2804 -43.1281 -11.2631 -28.5498 -35.2803 -28.5497 -3.24181 GPRESSAVG: 4150200 11.3839 -42.4601 -36.2952 -45.1626 -11.5725 -28.8462 -35.6321 -29.2129 -4.09101 TIMING: 4150200 CPU: 13174.9, 0.00315577/step Wall: 13174.9, 0.00315577/step, 0.744937 hours remaining, 240.031250 MB of memory in use. ENERGY: 4150200 3930.0694 20767.6462 14389.0171 228.5993 -203587.0878 2606.0772 0.0000 0.0000 52112.1275 -109553.5511 299.4891 -161665.6786 -109194.0295 299.5233 135.4224 158.9709 760521.1123 -1.4977 -1.4265 PRESSURE: 4150400 -25.3847 -83.9472 206.135 -83.948 87.2137 31.2997 206.135 31.2995 112.67 GPRESSURE: 4150400 95.8107 -117.344 202.258 -84.5644 124.195 7.38314 234.152 20.5462 30.4867 PRESSAVG: 4150400 -52.8573 -52.3194 -38.3931 -52.3195 26.4956 -38.7244 -38.3931 -38.7243 -0.858403 GPRESSAVG: 4150400 -53.1529 -51.2686 -37.818 -52.4699 26.4497 -38.9801 -37.566 -39.5917 -0.642683 TIMING: 4150400 CPU: 13175.5, 0.00314492/step Wall: 13175.5, 0.00314492/step, 0.7422 hours remaining, 240.031250 MB of memory in use. ENERGY: 4150400 3995.2644 20662.0420 14438.0554 233.0382 -203665.2369 2590.5373 0.0000 0.0000 52307.4307 -109438.8688 300.6115 -161746.2995 -109071.0717 300.2550 58.1664 83.4975 760376.7454 -9.0733 -9.1153 PRESSURE: 4150600 -62.2092 41.6977 46.9837 41.6973 -259.835 2.60719 46.9826 2.60788 182.147 GPRESSURE: 4150600 -54.9763 76.3325 156.338 -11.4644 -123.078 -34.887 -25.4987 66.3496 119.319 PRESSAVG: 4150600 -45.3779 -42.2288 -7.49941 -42.2288 64.2976 -3.85936 -7.4994 -3.85941 18.8258 GPRESSAVG: 4150600 -46.2145 -42.7207 -9.48516 -39.1565 64.0508 -2.08481 -7.94001 -2.92133 19.7719 TIMING: 4150600 CPU: 13176.1, 0.00313602/step Wall: 13176.1, 0.00313602/step, 0.739926 hours remaining, 240.031250 MB of memory in use. ENERGY: 4150600 3985.2037 20605.6385 14448.8918 253.8950 -203363.8390 2399.4797 0.0000 0.0000 52297.6159 -109373.1144 300.5551 -161670.7303 -109000.3958 300.2898 -46.6326 -19.5784 761202.8760 12.5818 12.5361 PRESSURE: 4150800 -207.055 -22.5454 -229.276 -22.5459 62.6043 -94.1562 -229.276 -94.1556 80.0621 GPRESSURE: 4150800 -70.3317 -82.7348 -169.374 -84.6982 46.775 67.4799 -113.309 -132.409 55.748 PRESSAVG: 4150800 30.8186 -44.2373 7.96699 -44.2372 -49.4696 45.9397 7.96695 45.9398 1.27158 GPRESSAVG: 4150800 31.2243 -45.0566 8.89129 -45.2756 -49.7311 43.9925 9.04866 44.4504 1.39453 TIMING: 4150800 CPU: 13176.7, 0.00312992/step Wall: 13176.7, 0.00312992/step, 0.738313 hours remaining, 240.031250 MB of memory in use. ENERGY: 4150800 3965.5921 20622.1798 14406.0711 240.6297 -203089.1922 2103.0564 0.0000 0.0000 52322.7569 -109428.9061 300.6996 -161751.6630 -109050.0431 300.1825 -21.4630 10.7304 759369.1018 -5.7932 -5.7041 PRESSURE: 4151000 -453.953 -152.74 -78.4119 -152.74 167.223 -284.678 -78.4117 -284.678 -148.901 GPRESSURE: 4151000 -445.521 -171.885 -132.624 -88.9949 172.499 -315.52 -134.367 -235.643 -77.7806 PRESSAVG: 4151000 -1.47788 -80.9582 20.5058 -80.9581 29.3857 -28.1664 20.5058 -28.1664 37.9563 GPRESSAVG: 4151000 -1.84451 -80.6432 20.1811 -80.1581 29.111 -27.3131 20.0733 -26.5934 38.0989 TIMING: 4151000 CPU: 13177.4, 0.00313403/step Wall: 13177.4, 0.00313403/step, 0.739109 hours remaining, 240.031250 MB of memory in use. ENERGY: 4151000 4053.6249 20622.9818 14414.8136 267.4995 -203264.4446 2331.4746 0.0000 0.0000 52032.5852 -109541.4649 299.0320 -161574.0501 -109185.4515 300.2269 -145.2103 -116.9345 759927.8748 21.9547 21.7885 PRESSURE: 4151200 -355.056 -140.76 -103.868 -140.759 -191.421 -168.805 -103.868 -168.805 -251.187 GPRESSURE: 4151200 -284.925 -168.681 -104.21 -60.0729 -189.822 -161.314 -112.513 -77.5745 -251.88 PRESSAVG: 4151200 -47.5214 -42.0972 7.17001 -42.0972 -0.564038 -0.751949 7.16997 -0.751955 -3.02762 GPRESSAVG: 4151200 -46.5464 -41.3932 6.04728 -45.4518 -0.29875 -1.21987 6.75157 0.235261 -4.16011 TIMING: 4151200 CPU: 13178, 0.00313457/step Wall: 13178, 0.00313457/step, 0.739063 hours remaining, 240.031250 MB of memory in use. ENERGY: 4151200 3970.7321 20639.5221 14472.3321 240.0448 -203224.6916 2295.1366 0.0000 0.0000 52174.4125 -109432.5114 299.8471 -161606.9239 -109071.0750 299.6332 -265.8881 -242.2090 761193.8689 -17.0377 -17.0017 PRESSURE: 4151400 50.8485 -155.487 -151.705 -155.488 -535.313 -166.645 -151.705 -166.646 10.6469 GPRESSURE: 4151400 28.5699 -162.439 -243.176 -174.137 -385.276 -83.0781 -19.9187 -157.587 -47.4624 PRESSAVG: 4151400 -26.4824 -33.3586 -33.4713 -33.3586 12.7864 -19.8141 -33.4713 -19.8142 -4.63795 GPRESSAVG: 4151400 -26.6441 -33.5865 -32.4105 -32.9063 12.7523 -18.0742 -33.6691 -19.0452 -4.22152 TIMING: 4151400 CPU: 13178.6, 0.00312685/step Wall: 13178.6, 0.00312685/step, 0.737069 hours remaining, 240.031250 MB of memory in use. ENERGY: 4151400 4013.8753 20530.8827 14467.8907 235.2813 -203634.8771 2287.4333 0.0000 0.0000 52402.3834 -109697.1304 301.1572 -162099.5138 -109333.0257 300.0305 -157.9393 -134.7229 758995.7140 -6.1113 -6.0378 PRESSURE: 4151600 140.05 22.7577 102.964 22.7582 86.4859 356.559 102.964 356.559 53.7549 GPRESSURE: 4151600 179.95 51.561 70.7664 16.2294 108.758 276.439 195.376 280.739 61.5792 PRESSAVG: 4151600 2.37704 -14.47 -4.74472 -14.47 -24.6884 9.61106 -4.74477 9.61112 16.9336 GPRESSAVG: 4151600 1.97163 -13.8919 -4.11929 -13.685 -25.0551 9.19764 -5.73531 6.16267 17.7875 TIMING: 4151600 CPU: 13179.2, 0.00312415/step Wall: 13179.2, 0.00312415/step, 0.736259 hours remaining, 240.031250 MB of memory in use. ENERGY: 4151600 3991.4641 20538.8595 14565.7118 254.5246 -203836.9159 2634.5911 0.0000 0.0000 52309.2491 -109542.5156 300.6220 -161851.7647 -109176.2712 299.9147 93.4302 116.7624 758181.6983 -1.7926 -1.7653 PRESSURE: 4151800 316.984 -113.795 205.935 -113.794 362.711 34.67 205.935 34.6696 -181.074 GPRESSURE: 4151800 392.888 -114.473 120.551 -153.818 342.377 14.4474 163.663 145.201 -148.839 PRESSAVG: 4151800 11.6092 -39.4528 26.6546 -39.4529 -4.8083 45.9564 26.6545 45.9565 22.3981 GPRESSAVG: 4151800 12.7802 -41.734 26.8065 -38.8765 -3.65295 44.8298 26.4621 47.1445 20.3698 TIMING: 4151800 CPU: 13179.9, 0.00313101/step Wall: 13179.9, 0.00313101/step, 0.7377 hours remaining, 240.031250 MB of memory in use. ENERGY: 4151800 3993.7754 20599.5148 14434.4728 258.6790 -203727.4025 2680.5388 0.0000 0.0000 52217.4095 -109543.0122 300.0942 -161760.4217 -109183.5267 300.2412 166.2068 195.4755 758890.6364 9.7330 9.8323 PRESSURE: 4152000 25.6898 -98.3903 -157.39 -98.391 261.586 -212.048 -157.39 -212.048 19.7944 GPRESSURE: 4152000 39.6936 -9.08605 -71.4765 -226.872 269.251 -214.092 -27.2176 -80.1147 91.4243 PRESSAVG: 4152000 -17.5993 -45.081 29.4507 -45.081 37.9723 44.662 29.4507 44.6619 -9.53904 GPRESSAVG: 4152000 -18.4069 -42.4559 27.4977 -45.9154 37.3557 44.2124 30.6025 46.8081 -7.83259 TIMING: 4152000 CPU: 13180.5, 0.00315018/step Wall: 13180.5, 0.00315018/step, 0.742044 hours remaining, 240.031250 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: 4152000 3992.4082 20459.2378 14451.1499 258.8034 -203500.3753 2407.1940 0.0000 0.0000 52188.8405 -109742.7414 299.9300 -161931.5819 -109380.1202 299.6559 102.3567 133.4563 760370.7710 3.6113 3.7054 PRESSURE: 4152200 0.544113 -23.6679 50.9831 -23.6678 -181.066 -73.598 50.9838 -73.5985 -154.776 GPRESSURE: 4152200 12.353 -39.8404 141.693 -172.068 -133.708 -113.917 258.773 -17.5265 -128.7 PRESSAVG: 4152200 44.9318 -92.4599 -31.7627 -92.4598 -25.3777 19.8866 -31.7627 19.8866 -6.31642 GPRESSAVG: 4152200 44.7586 -94.8047 -30.58 -91.9779 -24.3615 19.1478 -31.0115 16.3934 -6.87074 TIMING: 4152200 CPU: 13181.1, 0.00313811/step Wall: 13181.1, 0.00313811/step, 0.739025 hours remaining, 240.031250 MB of memory in use. ENERGY: 4152200 3930.7969 20496.0017 14428.3861 238.0273 -203787.5454 2583.5921 0.0000 0.0000 52139.2605 -109971.4808 299.6450 -162110.7414 -109606.6424 299.1285 -111.7660 -83.3514 758961.9197 4.4126 4.5088 LDB: ============= START OF LOAD BALANCING ============== 13193.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13193.6 LDB: =============== DONE WITH MIGRATION ================ 13193.6 LDB: ============= START OF LOAD BALANCING ============== 13193.9 LDB: Largest compute 7055 load 0.034356 is 17.6% of average load 0.195434 LDB: Average compute 0.004421 is 2.3% of average load 0.195434 LDB: TIME 13193.9 LOAD: AVG 0.195434 MAX 0.218607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.355 MB LDB: TIME 13193.9 LOAD: AVG 0.195434 MAX 0.218607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: TIME 13193.9 LOAD: AVG 0.195434 MAX 0.21364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.559 MB LDB: ============== END OF LOAD BALANCING =============== 13193.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13193.9 PRESSURE: 4152400 -263.977 46.3387 -39.3438 46.3377 -322.505 -78.6002 -39.3448 -78.6006 -51.2048 GPRESSURE: 4152400 -262.003 48.8266 -36.938 110.435 -173.064 -156.584 -156.52 22.4204 -122.26 PRESSAVG: 4152400 -13.375 -31.0855 -69.923 -31.0856 17.1289 20.8545 -69.923 20.8545 15.4672 GPRESSAVG: 4152400 -13.0722 -31.1037 -68.1626 -30.881 16.3575 22.9954 -70.3631 22.3569 16.4822 TIMING: 4152400 CPU: 13181.8, 0.0032038/step Wall: 13181.8, 0.0032038/step, 0.754317 hours remaining, 241.832031 MB of memory in use. ENERGY: 4152400 4017.5463 20392.2932 14477.3080 231.0574 -203550.2268 2323.7721 0.0000 0.0000 52078.3943 -110029.8555 299.2952 -162108.2498 -109675.5424 298.8407 -212.5622 -185.7757 759080.6033 6.4070 6.5892 PRESSURE: 4152600 433.693 1.21469 23.7621 1.21517 187.364 -198.231 23.7622 -198.231 5.96097 GPRESSURE: 4152600 584.934 57.6605 6.96035 28.1805 252.588 -102.061 -106.033 -151.88 -90.8186 PRESSAVG: 4152600 49.3245 -11.7954 -1.75058 -11.7953 17.317 1.03044 -1.75059 1.03042 13.0377 GPRESSAVG: 4152600 49.5129 -11.2026 -3.10554 -11.1058 17.9664 0.84034 -2.08256 0.347043 12.3082 TIMING: 4152600 CPU: 13182.4, 0.00315313/step Wall: 13182.4, 0.00315313/step, 0.742211 hours remaining, 242.035156 MB of memory in use. ENERGY: 4152600 3930.6012 20467.1414 14506.9385 241.1105 -203584.7769 2622.0498 0.0000 0.0000 51829.7601 -109987.1754 297.8663 -161816.9356 -109626.1065 298.6505 209.0061 248.9012 758737.7691 26.5597 26.5958 PRESSURE: 4152800 -105.987 -38.9914 380.726 -38.992 -19.4906 -45.8018 380.725 -45.8015 -62.7384 GPRESSURE: 4152800 -1.60909 19.6755 370.069 -118.37 -25.5573 -32.4965 292.393 -86.4359 -42.4715 PRESSAVG: 4152800 47.0222 -53.4048 29.069 -53.4049 -18.7368 20.2552 29.069 20.2553 0.929925 GPRESSAVG: 4152800 47.3112 -52.9544 27.5206 -54.3056 -19.2085 21.2013 29.4323 20.9798 1.19862 TIMING: 4152800 CPU: 13183, 0.00314711/step Wall: 13183, 0.00314711/step, 0.74062 hours remaining, 242.035156 MB of memory in use. ENERGY: 4152800 3973.8269 20414.0632 14566.7043 253.5561 -203046.9421 2170.2426 0.0000 0.0000 51800.9555 -109867.5935 297.7008 -161668.5490 -109506.9720 298.7977 -62.7388 -23.2126 758452.9563 9.7384 9.7671 PRESSURE: 4153000 -22.3314 109.934 -37.2747 109.934 76.1502 -47.0272 -37.2748 -47.0272 32.3683 GPRESSURE: 4153000 -34.163 127.265 17.8832 56.4457 222.081 -102.061 -148.245 -75.0906 -15.3969 PRESSAVG: 4153000 -13.1053 -26.4817 36.6201 -26.4817 -1.26317 10.6755 36.62 10.6755 10.541 GPRESSAVG: 4153000 -14.7855 -25.392 35.9717 -25.933 -0.252301 8.95946 37.1727 10.9133 11.0492 TIMING: 4153000 CPU: 13183.7, 0.00312694/step Wall: 13183.7, 0.00312694/step, 0.735699 hours remaining, 242.035156 MB of memory in use. ENERGY: 4153000 4022.9542 20328.6581 14420.5873 228.9285 -203239.7319 2410.8883 0.0000 0.0000 51956.5365 -109871.1790 298.5949 -161827.7154 -109503.2400 299.2113 28.7290 57.5071 760014.7148 -1.2758 -1.3295 PRESSURE: 4153200 67.0148 149.858 -29.315 149.859 326.801 92.1135 -29.3138 92.1132 339.764 GPRESSURE: 4153200 142.955 39.5114 -21.4129 58.7102 324.479 139.053 126.569 3.36109 349.402 PRESSAVG: 4153200 -12.9702 20.9012 12.5714 20.9012 29.3713 14.6396 12.5715 14.6396 0.659932 GPRESSAVG: 4153200 -12.63 20.6384 12.597 21.3881 28.9922 16.4415 11.821 12.3537 0.783885 TIMING: 4153200 CPU: 13184.3, 0.00314231/step Wall: 13184.3, 0.00314231/step, 0.739141 hours remaining, 242.035156 MB of memory in use. ENERGY: 4153200 3983.2304 20396.4226 14531.9120 230.9981 -203777.2005 2791.6755 0.0000 0.0000 52099.3131 -109743.6488 299.4155 -161842.9619 -109382.7351 298.9059 244.5268 272.2789 758036.5952 5.6870 5.7154 PRESSURE: 4153400 15.0674 -255.129 61.294 -255.129 115.878 -305.608 61.2931 -305.608 299.629 GPRESSURE: 4153400 77.1311 -111.461 60.0033 -199.973 106.092 -233.137 170.626 -173.276 298.081 PRESSAVG: 4153400 -0.533223 -29.4641 12.8343 -29.4642 13.0789 15.4979 12.8343 15.4979 16.3736 GPRESSAVG: 4153400 0.621249 -29.8941 13.202 -29.2147 12.5083 14.3637 14.0239 17.7844 15.6912 TIMING: 4153400 CPU: 13184.9, 0.0031468/step Wall: 13184.9, 0.0031468/step, 0.740023 hours remaining, 242.035156 MB of memory in use. ENERGY: 4153400 3970.5046 20601.1326 14478.0760 245.2556 -203711.0128 2607.2907 0.0000 0.0000 51996.9906 -109811.7627 298.8274 -161808.7533 -109458.8129 299.1606 143.5250 160.4349 759326.8874 9.6398 9.6069 PRESSURE: 4153600 116.072 160.48 -31.9727 160.481 163.749 -107.765 -31.9717 -107.765 -24.7265 GPRESSURE: 4153600 260.53 177.484 -81.2757 43.1329 171.5 -177.772 -98.5699 -78.4243 -82.8199 PRESSAVG: 4153600 -31.0804 -39.5262 8.97732 -39.5262 64.6516 22.8412 8.97739 22.8413 5.64605 GPRESSAVG: 4153600 -30.5923 -40.6846 8.68849 -38.6647 64.7504 23.0264 8.91854 23.626 4.41833 TIMING: 4153600 CPU: 13185.5, 0.00313834/step Wall: 13185.5, 0.00313834/step, 0.737858 hours remaining, 242.035156 MB of memory in use. ENERGY: 4153600 3964.9118 20457.8700 14480.3514 224.1495 -203821.3388 2689.1787 0.0000 0.0000 52012.9911 -109991.8862 298.9194 -162004.8773 -109641.4974 299.0312 85.0315 116.4031 758423.4216 13.0724 12.8588 PRESSURE: 4153800 268.234 10.9337 -193.516 10.934 -127.891 -49.7478 -193.515 -49.7486 -40.9247 GPRESSURE: 4153800 280.591 11.4046 -220.021 -59.138 -111.383 44.6411 -118.433 -141.326 3.43091 PRESSAVG: 4153800 -18.4107 -118.489 -12.7214 -118.489 28.0129 -7.28623 -12.7214 -7.28619 15.2991 GPRESSAVG: 4153800 -20.2488 -116.444 -13.803 -120.246 28.2063 -7.87478 -12.8751 -7.56223 16.5799 TIMING: 4153800 CPU: 13186.2, 0.00315159/step Wall: 13186.2, 0.00315159/step, 0.7408 hours remaining, 242.035156 MB of memory in use. ENERGY: 4153800 3977.9366 20498.7781 14517.5375 246.1585 -203334.2953 2350.5864 0.0000 0.0000 52062.0673 -109681.2308 299.2014 -161743.2981 -109313.7171 299.0174 33.1396 57.5462 761757.2109 8.3004 8.1791 PRESSURE: 4154000 -162.217 85.6735 -5.97427 85.6736 -224.151 197.396 -5.97467 197.396 338.367 GPRESSURE: 4154000 -107.972 87.5982 84.9429 70.8583 -160.187 240.319 39.7745 178.628 276.243 PRESSAVG: 4154000 -39.9037 -6.24656 -16.3543 -6.24656 1.82479 10.3062 -16.3543 10.3064 -11.9958 GPRESSAVG: 4154000 -38.5573 -6.73751 -14.5041 -6.33064 0.43524 10.7895 -16.2937 8.7553 -12.1387 TIMING: 4154000 CPU: 13186.8, 0.00312116/step Wall: 13186.8, 0.00312116/step, 0.733471 hours remaining, 242.035156 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: 4154000 3928.7001 20444.4588 14524.0612 255.2831 -203519.6383 2454.6775 0.0000 0.0000 52099.9357 -109812.5221 299.4190 -161912.4577 -109447.3788 299.0122 -16.0003 2.6946 760510.7943 -16.6916 -16.7536 PRESSURE: 4154200 -166.897 -65.4729 -178.447 -65.4728 -148.012 -108.604 -178.447 -108.604 -259.914 GPRESSURE: 4154200 -113.156 45.2699 -203.197 2.75793 -117.495 -15.4471 -28.1062 -54.0545 -266.174 PRESSAVG: 4154200 -45.3225 -0.508571 33.2638 -0.508505 -23.2354 5.29961 33.2637 5.29964 7.41549 GPRESSAVG: 4154200 -46.6181 -2.38196 33.6387 1.41427 -22.8842 6.18319 33.0861 6.52369 7.36055 TIMING: 4154200 CPU: 13187.4, 0.00314936/step Wall: 13187.4, 0.00314936/step, 0.739924 hours remaining, 242.035156 MB of memory in use. ENERGY: 4154200 4024.4967 20430.9373 14509.8775 246.0159 -203399.6757 2376.3068 0.0000 0.0000 52157.4355 -109654.6061 299.7495 -161812.0416 -109286.2493 299.1611 -191.6078 -165.6083 760798.1397 -20.3808 -20.7139 PRESSURE: 4154400 -94.5451 221.308 -43.4331 221.307 12.4535 157.963 -43.4332 157.963 416.253 GPRESSURE: 4154400 -24.2519 187.596 -95.024 230.167 15.9294 143.921 81.0434 57.7813 398.344 PRESSAVG: 4154400 41.6939 8.85842 3.57532 8.85843 -45.0825 -41.4538 3.57543 -41.4539 -3.96613 GPRESSAVG: 4154400 41.2992 11.0332 3.31275 4.87201 -44.2059 -43.3019 2.20606 -41.7675 -4.28124 TIMING: 4154400 CPU: 13188.1, 0.00314206/step Wall: 13188.1, 0.00314206/step, 0.738034 hours remaining, 242.035156 MB of memory in use. ENERGY: 4154400 3913.1328 20620.1197 14518.1201 257.9267 -203657.6761 2666.9302 0.0000 0.0000 52095.8115 -109585.6351 299.3953 -161681.4466 -109229.1133 299.3693 111.3870 130.0070 760704.0754 -2.4516 -2.3960 PRESSURE: 4154600 94.0189 -200.091 13.6135 -200.091 28.6871 23.2514 13.6139 23.2512 217.131 GPRESSURE: 4154600 96.5359 -193.747 140.349 -178.554 102.211 -30.5399 -110.255 -63.5552 238.462 PRESSAVG: 4154600 67.1181 12.0349 -22.9891 12.0349 -55.416 -22.5697 -22.9891 -22.5697 -13.5908 GPRESSAVG: 4154600 67.1088 11.5114 -21.5397 13.3695 -54.8097 -21.5817 -22.2837 -22.5166 -14.1826 TIMING: 4154600 CPU: 13188.7, 0.00313667/step Wall: 13188.7, 0.00313667/step, 0.736594 hours remaining, 242.035156 MB of memory in use. ENERGY: 4154600 4104.3286 20544.0142 14452.9108 242.7372 -203338.8449 2528.8173 0.0000 0.0000 51890.4643 -109575.5727 298.2152 -161466.0370 -109217.6535 299.8547 113.2789 145.7361 759744.2452 -0.6295 -0.6278 PRESSURE: 4154800 -303.412 0.150645 103.212 0.151181 -224.864 287.129 103.212 287.128 457.575 GPRESSURE: 4154800 -167.271 86.0911 52.8141 -68.3048 -203.175 250.52 113.191 275.313 379.23 PRESSAVG: 4154800 -11.2157 0.461909 62.5123 0.461938 -36.3042 13.9669 62.5123 13.9669 8.42563 GPRESSAVG: 4154800 -10.5474 1.15495 61.0402 1.66574 -34.8994 14.1585 62.0593 12.8125 6.43095 TIMING: 4154800 CPU: 13189.3, 0.00312663/step Wall: 13189.3, 0.00312663/step, 0.734064 hours remaining, 242.035156 MB of memory in use. ENERGY: 4154800 3956.5333 20667.9341 14469.6808 230.5492 -203492.0805 2572.4630 0.0000 0.0000 51981.6894 -109613.2307 298.7395 -161594.9201 -109249.5794 299.6767 -23.5671 2.9279 759689.5260 -13.0314 -13.0053 PRESSURE: 4155000 -251.726 -103.882 222.843 -103.881 216.305 -66.0932 222.843 -66.0936 146.43 GPRESSURE: 4155000 -114.42 -193.296 215.138 -133.412 256.447 -54.6482 206.452 -149.688 60.6217 PRESSAVG: 4155000 6.58988 -16.1821 -6.72656 -16.1821 -56.1705 23.3799 -6.72655 23.3799 -8.5227 GPRESSAVG: 4155000 7.20027 -17.1494 -6.1272 -17.0126 -58.3053 23.7337 -4.87074 24.5599 -7.17457 TIMING: 4155000 CPU: 13189.9, 0.00312785/step Wall: 13189.9, 0.00312785/step, 0.734175 hours remaining, 242.035156 MB of memory in use. ENERGY: 4155000 3954.1259 20524.5521 14516.5531 234.9711 -203400.1973 2538.7014 0.0000 0.0000 52281.4436 -109349.8502 300.4622 -161631.2938 -108983.7120 299.4747 37.0030 67.5494 760200.3391 -19.3678 -19.4265 PRESSURE: 4155200 5.26034 -85.9484 90.2834 -85.9482 -161.915 -128.923 90.2831 -128.923 595.399 GPRESSURE: 4155200 60.1847 -2.60991 -2.43234 16.8895 -20.3501 -31.5235 -9.49032 -55.9009 496.566 PRESSAVG: 4155200 -9.88277 -58.889 52.8948 -58.889 5.8237 49.2888 52.8947 49.2888 3.01142 GPRESSAVG: 4155200 -10.0289 -57.6332 52.0027 -58.3795 6.557 49.6408 52.6761 48.3586 2.80706 TIMING: 4155200 CPU: 13190.6, 0.00312606/step Wall: 13190.6, 0.00312606/step, 0.733581 hours remaining, 242.035156 MB of memory in use. ENERGY: 4155200 3939.1883 20533.2839 14467.5194 220.9393 -203443.4387 2744.5902 0.0000 0.0000 51966.8269 -109571.0908 298.6541 -161537.9176 -109207.2821 299.8441 146.2480 178.8002 760763.4679 -0.3492 -0.2216 PRESSURE: 4155400 -159.025 -30.7302 183.32 -30.7299 -80.8144 -101.201 183.32 -101.199 -298.287 GPRESSURE: 4155400 -116.158 -31.7078 218.685 -38.2623 -50.5684 -51.8155 227.57 33.8613 -281.294 PRESSAVG: 4155400 -58.5244 -88.3957 14.0684 -88.3957 15.3052 11.155 14.0685 11.1549 -22.703 GPRESSAVG: 4155400 -58.7456 -87.5746 13.4416 -89.4306 13.9448 10.7936 12.8922 14.5146 -21.4202 TIMING: 4155400 CPU: 13191.2, 0.00314078/step Wall: 13191.2, 0.00314077/step, 0.736861 hours remaining, 242.035156 MB of memory in use. ENERGY: 4155400 4020.7163 20560.9315 14529.2477 255.7592 -203579.0903 2551.6445 0.0000 0.0000 52040.7036 -109620.0875 299.0786 -161660.7911 -109263.9678 299.1796 -179.3754 -149.3400 761851.0153 -21.9741 -22.0737 PRESSURE: 4155600 140.739 -9.33025 60.342 -9.33022 83.4783 -10.6188 60.3428 -10.6196 -6.71726 GPRESSURE: 4155600 194.961 81.0372 50.5978 -67.6488 100.815 -31.399 -48.174 -20.6127 -12.3237 PRESSAVG: 4155600 -37.6827 -55.7473 -1.32979 -55.7474 53.4055 38.1923 -1.32977 38.1923 -2.93061 GPRESSAVG: 4155600 -39.3386 -57.5741 0.298717 -54.1127 55.1692 39.4508 -1.80625 37.011 -3.25099 TIMING: 4155600 CPU: 13191.8, 0.00313968/step Wall: 13191.8, 0.00313968/step, 0.73643 hours remaining, 242.035156 MB of memory in use. ENERGY: 4155600 3994.2275 20513.9790 14484.6371 240.3474 -203934.9229 2779.4238 0.0000 0.0000 52175.8281 -109746.4800 299.8552 -161922.3081 -109384.1055 298.9567 72.5002 94.4838 760780.5696 4.2641 4.1932 PRESSURE: 4155800 72.889 95.2386 -117.664 95.2382 88.7873 146.543 -117.665 146.542 179.102 GPRESSURE: 4155800 60.7092 1.22195 -61.9976 75.6221 119.976 119.053 -38.8523 258.605 242.374 PRESSAVG: 4155800 -29.8889 -64.6501 7.86816 -64.6501 21.3366 44.3772 7.86813 44.3773 -0.268244 GPRESSAVG: 4155800 -29.4596 -64.1607 7.28155 -62.8439 20.5391 42.5248 8.61463 44.0309 -0.126988 TIMING: 4155800 CPU: 13192.4, 0.00313282/step Wall: 13192.4, 0.00313282/step, 0.734645 hours remaining, 242.035156 MB of memory in use. ENERGY: 4155800 3947.9051 20501.5367 14463.1922 245.9675 -204032.2919 2774.7784 0.0000 0.0000 52172.4529 -109926.4592 299.8358 -162098.9121 -109548.2887 298.7889 113.5927 141.0196 760546.4277 -2.9402 -3.0159 PRESSURE: 4156000 14.3484 -90.8923 16.8148 -90.8932 199.939 102.007 16.8146 102.007 172.668 GPRESSURE: 4156000 47.4691 -29.5119 83.4604 -137.837 228.712 65.7473 -16.0977 110.045 182.531 PRESSAVG: 4156000 -9.19348 -53.4553 -6.99951 -53.4554 -30.1492 41.3014 -6.99954 41.3014 1.61413 GPRESSAVG: 4156000 -8.81786 -51.6299 -5.52545 -55.7256 -29.7904 41.093 -5.64212 39.6748 0.358168 TIMING: 4156000 CPU: 13193.1, 0.0031453/step Wall: 13193.1, 0.0031453/step, 0.737399 hours remaining, 242.035156 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: 4156000 3916.7664 20534.9300 14479.7123 242.7263 -203324.0038 2469.9683 0.0000 0.0000 51711.4150 -109968.4854 297.1862 -161679.9004 -109612.1430 298.5294 128.9853 152.9042 759928.6493 -12.5762 -12.7500 PRESSURE: 4156200 -207.914 177.643 -78.775 177.644 -149.891 114.987 -78.7748 114.987 3.46658 GPRESSURE: 4156200 -239.74 207.045 -89.4256 162.656 -99.9314 114.452 -195.985 207.049 82.3193 PRESSAVG: 4156200 -3.48772 -38.937 3.95145 -38.937 16.5254 25.486 3.95147 25.486 -13.1957 GPRESSAVG: 4156200 -3.36799 -41.8401 2.11586 -37.2984 15.3512 26.2999 1.77238 28.0694 -12.234 TIMING: 4156200 CPU: 13193.7, 0.00313046/step Wall: 13193.7, 0.00313046/step, 0.733745 hours remaining, 242.035156 MB of memory in use. ENERGY: 4156200 3978.8263 20367.6175 14583.2993 240.4483 -203464.7211 2409.2849 0.0000 0.0000 51828.8743 -110056.3707 297.8613 -161885.2449 -109701.3608 298.2638 -118.1129 -85.7840 760192.7616 -0.0527 -0.0836 LDB: ============= START OF LOAD BALANCING ============== 13206.1 LDB: ============== END OF LOAD BALANCING =============== 13206.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13206.1 LDB: ============= START OF LOAD BALANCING ============== 13206.5 LDB: Largest compute 7056 load 0.035009 is 17.9% of average load 0.195315 LDB: Average compute 0.004428 is 2.3% of average load 0.195315 LDB: TIME 13206.5 LOAD: AVG 0.195315 MAX 0.216495 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13206.5 LOAD: AVG 0.195315 MAX 0.216495 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 13206.5 LOAD: AVG 0.195315 MAX 0.216495 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 13206.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13206.5 PRESSURE: 4156400 188.598 -190.636 174.722 -190.635 -406.874 92.8854 174.723 92.8857 -1.45161 GPRESSURE: 4156400 99.0222 -161.399 133.066 -160.807 -295.201 188.217 103.162 -87.5494 66.5418 PRESSAVG: 4156400 2.80565 -34.2973 -10.3876 -34.2973 17.8881 -9.04628 -10.3875 -9.04629 -4.77666 GPRESSAVG: 4156400 3.93356 -32.8931 -10.2688 -34.9978 18.2246 -8.30709 -10.9341 -11.2599 -5.75623 TIMING: 4156400 CPU: 13194.3, 0.00319525/step Wall: 13194.3, 0.00319525/step, 0.748754 hours remaining, 240.808594 MB of memory in use. ENERGY: 4156400 3968.3148 20494.1722 14517.2654 249.8998 -203570.2925 2371.9375 0.0000 0.0000 51821.3213 -110147.3815 297.8178 -161968.7027 -109782.9688 298.0836 -73.2426 -43.2124 760338.0865 5.3057 5.4673 PRESSURE: 4156600 -52.6634 98.297 -130.686 98.297 41.7469 152.705 -130.686 152.706 -113.564 GPRESSURE: 4156600 -7.11276 -47.7144 -142.496 43.3992 3.54755 206.617 -126.153 78.5882 -27.7087 PRESSAVG: 4156600 48.719 -19.6238 7.13919 -19.6238 -50.9931 7.55188 7.13919 7.55193 2.5332 GPRESSAVG: 4156600 47.4681 -18.7885 6.68575 -18.5019 -51.3364 7.59474 8.62561 7.12726 3.69059 TIMING: 4156600 CPU: 13195, 0.00315289/step Wall: 13195, 0.00315289/step, 0.738652 hours remaining, 241.011719 MB of memory in use. ENERGY: 4156600 3992.8169 20535.4932 14431.2389 248.0346 -203423.2295 2427.0322 0.0000 0.0000 51777.9015 -110010.7122 297.5683 -161788.6137 -109653.1812 298.0058 -41.4935 -10.4246 760405.0596 0.0864 -0.0593 PRESSURE: 4156800 66.2187 -52.8028 12.1213 -52.8016 -111.003 126.099 12.1212 126.099 -362.942 GPRESSURE: 4156800 89.5658 -16.9724 -3.04698 -0.275447 -37.6528 150.874 129.681 222.379 -339.633 PRESSAVG: 4156800 29.8672 -53.3827 -3.19841 -53.3828 -47.6283 -35.2921 -3.19838 -35.292 -13.6529 GPRESSAVG: 4156800 29.629 -53.735 -2.70016 -56.0825 -46.2008 -35.1975 -1.7235 -33.4976 -14.7287 TIMING: 4156800 CPU: 13195.6, 0.00314928/step Wall: 13195.6, 0.00314928/step, 0.737631 hours remaining, 241.011719 MB of memory in use. ENERGY: 4156800 3961.3166 20355.6640 14427.3852 245.0405 -203364.5117 2460.5967 0.0000 0.0000 51838.4576 -110076.0511 297.9163 -161914.5087 -109697.5639 298.1278 -135.9088 -95.9066 759998.9970 -10.4713 -10.4335 PRESSURE: 4157000 53.5118 -49.316 -13.1611 -49.3159 90.4472 26.575 -13.1595 26.575 -115.18 GPRESSURE: 4157000 40.465 -39.2333 11.4832 -37.2115 115.729 51.9274 -13.551 14.9303 -38.4191 PRESSAVG: 4157000 2.24451 -19.4594 -22.4046 -19.4595 -35.0651 45.8693 -22.4046 45.8693 17.8143 GPRESSAVG: 4157000 1.89753 -19.8931 -22.1035 -17.1095 -35.5407 43.2877 -23.7395 45.1132 19.5704 TIMING: 4157000 CPU: 13196.2, 0.0031374/step Wall: 13196.2, 0.0031374/step, 0.734675 hours remaining, 241.011719 MB of memory in use. ENERGY: 4157000 4052.4647 20542.1206 14474.5416 253.2591 -203632.4369 2559.2644 0.0000 0.0000 51813.4930 -109937.2934 297.7729 -161750.7864 -109588.4996 298.0613 9.5929 39.2584 760468.0604 -5.0021 -4.6909 PRESSURE: 4157200 -110.631 -30.9204 206.588 -30.9212 -242.015 -68.7299 206.588 -68.7295 -18.0181 GPRESSURE: 4157200 -60.8106 -133.528 274.471 -45.8517 -195.127 -116.941 142.494 -115.717 -36.7678 PRESSAVG: 4157200 36.0244 -29.4975 -14.0026 -29.4974 -0.667973 44.0976 -14.0026 44.0976 16.4546 GPRESSAVG: 4157200 36.968 -28.4784 -13.9328 -31.5764 -1.13284 46.1577 -12.7184 43.0191 16.0743 TIMING: 4157200 CPU: 13196.9, 0.00313874/step Wall: 13196.9, 0.00313874/step, 0.734813 hours remaining, 241.011719 MB of memory in use. ENERGY: 4157200 4007.1521 20593.4317 14492.8613 238.7704 -203613.9032 2510.4703 0.0000 0.0000 51907.1261 -109864.0914 298.3110 -161771.2174 -109490.3599 298.3741 -123.5549 -97.5683 760886.5986 17.2703 17.3031 PRESSURE: 4157400 90.1847 69.7471 -9.56726 69.7473 278.586 111.806 -9.5665 111.806 337.708 GPRESSURE: 4157400 36.1129 219.37 129.23 31.6898 355.522 142.927 159.252 47.1133 381.261 PRESSAVG: 4157400 12.1422 -15.9341 26.8422 -15.9341 -38.6743 20.532 26.8422 20.5319 4.42947 GPRESSAVG: 4157400 10.594 -17.5344 27.9437 -14.7037 -37.4701 19.7238 25.033 21.4638 5.25352 TIMING: 4157400 CPU: 13197.5, 0.00314544/step Wall: 13197.5, 0.00314544/step, 0.736208 hours remaining, 241.011719 MB of memory in use. ENERGY: 4157400 4026.3863 20471.0109 14468.0584 225.3221 -203892.3001 2835.7718 0.0000 0.0000 52021.8075 -109843.9430 298.9700 -161865.7505 -109482.6985 299.0370 235.4929 257.6318 759348.6473 -7.3675 -7.2075 PRESSURE: 4157600 -11.8542 -7.15263 73.6225 -7.15355 329.308 -57.0287 73.6229 -57.0283 121.189 GPRESSURE: 4157600 9.93429 -17.9642 60.6428 -70.9968 353.586 -50.3903 149.582 -149.807 187.522 PRESSAVG: 4157600 -46.6043 -8.44565 5.50472 -8.4457 41.9251 39.9244 5.50478 39.9244 3.40261 GPRESSAVG: 4157600 -45.2844 -7.93207 4.72503 -7.55751 42.3222 38.8977 7.27396 38.3682 1.99242 TIMING: 4157600 CPU: 13198.1, 0.00314031/step Wall: 13198.1, 0.00314031/step, 0.734833 hours remaining, 241.011719 MB of memory in use. ENERGY: 4157600 4010.0459 20319.1050 14466.7979 266.6908 -203457.2188 2693.0774 0.0000 0.0000 51940.0036 -109761.4983 298.4999 -161701.5019 -109396.2861 298.8819 146.2142 183.6807 760234.6983 -0.4255 -0.3233 PRESSURE: 4157800 -2.89236 32.9267 112.447 32.9271 -82.4967 144.563 112.447 144.562 -293.68 GPRESSURE: 4157800 69.6788 -60.1086 62.4253 -2.41256 -71.607 198.173 -15.1941 141.753 -274.229 PRESSAVG: 4157800 4.51848 10.2318 -20.1051 10.2319 -22.6143 73.4235 -20.1051 73.4235 1.1599 GPRESSAVG: 4157800 4.78494 10.172 -18.8201 9.15942 -22.6961 74.5746 -21.5318 74.4393 1.45893 TIMING: 4157800 CPU: 13198.7, 0.00316993/step Wall: 13198.7, 0.00316993/step, 0.741587 hours remaining, 241.011719 MB of memory in use. ENERGY: 4157800 4006.2199 20488.2632 14471.0346 254.7087 -203013.2513 2024.1466 0.0000 0.0000 52064.7450 -109704.1333 299.2168 -161768.8782 -109343.7787 299.2717 -126.3562 -92.0525 761240.7732 -5.6453 -5.4841 PRESSURE: 4158000 149.181 -34.555 -271.039 -34.5549 -63.2925 -56.0777 -271.04 -56.0782 32.9634 GPRESSURE: 4158000 175.354 -81.7614 -223.211 -106.69 -8.23576 -17.93 -308.24 -21.6316 44.7317 PRESSAVG: 4158000 -25.9467 7.14411 -12.5357 7.14408 17.8798 42.3202 -12.5357 42.3203 10.1093 GPRESSAVG: 4158000 -26.7767 8.37771 -12.6181 5.57463 18.2665 41.107 -13.9843 42.2098 10.3401 TIMING: 4158000 CPU: 13199.4, 0.00313815/step Wall: 13199.4, 0.00313815/step, 0.733978 hours remaining, 241.011719 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: 4158000 3995.3661 20477.1097 14460.7257 231.1738 -204005.6813 2780.9625 0.0000 0.0000 52384.2249 -109676.1186 301.0529 -162060.3436 -109315.2173 299.0840 39.6172 70.6167 758520.0914 0.6808 0.6100 PRESSURE: 4158200 -17.2932 -8.24334 -128.015 -8.24188 87.9777 13.4687 -128.015 13.4686 -698.896 GPRESSURE: 4158200 95.4877 91.9147 -66.584 27.9174 25.0697 51.8422 -83.9781 78.5727 -679.581 PRESSAVG: 4158200 -16.4216 87.8133 6.01155 87.8132 54.6816 10.5312 6.01144 10.5312 -8.57944 GPRESSAVG: 4158200 -15.6489 86.1046 3.17975 90.8187 53.8541 11.0511 8.05588 10.7432 -8.885 TIMING: 4158200 CPU: 13200, 0.00314451/step Wall: 13200, 0.00314451/step, 0.735291 hours remaining, 241.011719 MB of memory in use. ENERGY: 4158200 4027.3904 20473.5330 14457.8884 261.2635 -203710.3551 2554.0699 0.0000 0.0000 52370.8102 -109565.3996 300.9758 -161936.2098 -109194.6284 299.4046 -209.4039 -186.3412 760615.9289 9.8935 9.7734 PRESSURE: 4158400 64.9816 -7.0539 320.242 -7.05523 -51.0026 -186.426 320.241 -186.426 97.3066 GPRESSURE: 4158400 -28.4984 -24.3872 276.412 -67.0215 -14.3122 -131.266 250.588 -5.19609 211.186 PRESSAVG: 4158400 15.5519 -4.56028 43.8783 -4.56032 -50.497 48.1363 43.8783 48.1363 -27.0215 GPRESSAVG: 4158400 14.8208 -2.93883 46.315 -7.37343 -50.5201 49.2095 42.9377 48.8165 -26.1925 TIMING: 4158400 CPU: 13200.6, 0.00315499/step Wall: 13200.6, 0.00315499/step, 0.737567 hours remaining, 241.011719 MB of memory in use. ENERGY: 4158400 3936.9372 20617.0055 14640.6602 269.2449 -203414.0416 2329.8269 0.0000 0.0000 52284.1280 -109336.2390 300.4776 -161620.3670 -108975.8521 299.9481 37.0952 56.1252 760603.8438 -20.6555 -20.6306 PRESSURE: 4158600 6.03309 -286.514 -226.621 -286.514 -5.75898 -179.634 -226.621 -179.633 -30.7969 GPRESSURE: 4158600 42.6477 -172.692 -155.212 -194.586 -20.39 -197.83 -253.68 -144.56 51.4083 PRESSAVG: 4158600 33.7138 -33.3013 23.7112 -33.3012 5.22128 -26.6681 23.7112 -26.668 -8.86788 GPRESSAVG: 4158600 33.8959 -35.3207 22.1102 -31.0107 5.46241 -25.4894 26.23 -27.6903 -9.6339 TIMING: 4158600 CPU: 13201.3, 0.00315354/step Wall: 13201.3, 0.00315354/step, 0.737052 hours remaining, 241.011719 MB of memory in use. ENERGY: 4158600 4020.3744 20676.9531 14478.3103 263.4743 -203687.2494 2730.3802 0.0000 0.0000 51910.8798 -109606.8772 298.3325 -161517.7570 -109241.6796 299.8707 -10.1743 24.5553 760021.4438 10.0224 9.9082 PRESSURE: 4158800 353.555 229.417 -305.371 229.417 -32.1816 -25.1785 -305.37 -25.1784 405.014 GPRESSURE: 4158800 345.302 104.321 -289.478 226.42 70.589 -53.9826 -196.376 -216.327 394.884 PRESSAVG: 4158800 58.9542 8.32336 -40.0232 8.32335 -6.69436 -18.6247 -40.0232 -18.6246 1.83587 GPRESSAVG: 4158800 58.5408 13.3443 -40.6237 5.85723 -6.12023 -22.8039 -39.9643 -16.4998 1.54067 TIMING: 4158800 CPU: 13201.9, 0.00313973/step Wall: 13201.9, 0.00313973/step, 0.733651 hours remaining, 241.011719 MB of memory in use. ENERGY: 4158800 3922.2640 20572.0126 14445.5619 247.9737 -203833.8500 2728.0858 0.0000 0.0000 52446.1325 -109471.8194 301.4086 -161917.9520 -109114.8434 299.0964 242.1290 270.2582 759319.2001 18.0319 17.9871 PRESSURE: 4159000 152.292 74.1099 -60.1263 74.1101 84.8204 24.8655 -60.1264 24.8643 -82.1683 GPRESSURE: 4159000 128.484 45.5722 -84.2624 42.9634 203.872 47.5135 31.5971 -32.0246 -86.6762 PRESSAVG: 4159000 22.2992 -25.9693 -37.5485 -25.9693 1.19648 33.4837 -37.5485 33.4837 0.624677 GPRESSAVG: 4159000 22.8835 -31.0274 -38.042 -23.8055 0.281365 35.5191 -39.1415 31.5835 1.00355 TIMING: 4159000 CPU: 13202.5, 0.00313899/step Wall: 13202.5, 0.00313899/step, 0.733303 hours remaining, 241.011719 MB of memory in use. ENERGY: 4159000 4034.4677 20615.0267 14437.3416 248.1738 -203388.0873 2242.4033 0.0000 0.0000 52183.6146 -109627.0596 299.9000 -161810.6742 -109267.6399 299.8229 51.6482 81.8934 758973.1386 8.0401 8.0561 PRESSURE: 4159200 119.556 -171.551 -179.829 -171.552 126.31 108.223 -179.827 108.223 446.745 GPRESSURE: 4159200 130.289 -66.7503 -99.4788 -115.652 202.82 137.166 -159.378 88.503 433.153 PRESSAVG: 4159200 26.4431 -40.5345 -33.0407 -40.5345 -30.6648 41.0082 -33.0406 41.0082 -25.3158 GPRESSAVG: 4159200 26.0989 -39.0705 -30.5477 -40.5884 -30.5598 41.6597 -33.0611 40.0943 -25.2649 TIMING: 4159200 CPU: 13203.1, 0.00315203/step Wall: 13203.1, 0.00315203/step, 0.736174 hours remaining, 241.011719 MB of memory in use. ENERGY: 4159200 3964.8796 20526.9661 14538.5892 249.4253 -203631.7529 2778.0492 0.0000 0.0000 51919.3873 -109654.4562 298.3814 -161573.8435 -109285.8172 299.6036 230.8703 255.4207 759192.6515 -9.8458 -9.9086 PRESSURE: 4159400 -181.861 70.5736 -51.5056 70.5734 -110.204 -95.6023 -51.5048 -95.6021 94.1375 GPRESSURE: 4159400 -85.2553 40.0555 -0.814857 -19.6098 -74.151 -92.2315 -96.7176 -139.608 54.135 PRESSAVG: 4159400 29.7553 5.39666 -18.5322 5.39671 -20.1888 18.0416 -18.5322 18.0417 -5.27129 GPRESSAVG: 4159400 31.1934 6.8696 -16.8766 3.73889 -20.5584 15.6094 -18.1194 18.9074 -6.12778 TIMING: 4159400 CPU: 13203.8, 0.00313397/step Wall: 13203.8, 0.00313397/step, 0.731782 hours remaining, 241.011719 MB of memory in use. ENERGY: 4159400 4010.3257 20572.5859 14483.6176 240.5049 -203715.4570 2565.3622 0.0000 0.0000 51950.9025 -109892.1582 298.5626 -161843.0607 -109533.8828 299.2868 -65.9758 -35.0904 759956.8916 1.4317 1.5024 PRESSURE: 4159600 -6.86653 58.9803 -122.892 58.9804 -27.8261 -174.092 -122.892 -174.093 87.6383 GPRESSURE: 4159600 -4.29368 16.9242 -222.962 109.335 33.3875 -115.445 -155.697 -117.305 131.557 PRESSAVG: 4159600 17.5221 -32.2809 -34.1181 -32.281 -7.31591 -6.40367 -34.1181 -6.40367 -16.2651 GPRESSAVG: 4159600 17.0613 -33.3528 -35.5738 -30.0085 -7.95215 -6.45574 -34.803 -5.03567 -15.2167 TIMING: 4159600 CPU: 13204.4, 0.00312491/step Wall: 13204.4, 0.00312491/step, 0.729493 hours remaining, 241.011719 MB of memory in use. ENERGY: 4159600 3965.8754 20402.1473 14450.5428 238.3388 -203634.6700 2458.4307 0.0000 0.0000 52052.8167 -110066.5183 299.1483 -162119.3351 -109703.9099 298.8883 17.6485 53.5502 758905.8358 -2.0196 -2.0358 PRESSURE: 4159800 -36.3757 52.5156 159.291 52.5163 408.888 -183.796 159.291 -183.798 292.853 GPRESSURE: 4159800 79.248 66.2834 105.694 -57.7842 306.255 -171.152 78.2615 -74.4517 359.65 PRESSAVG: 4159800 -0.0672792 10.0772 -39.7771 10.0772 28.465 48.9243 -39.777 48.9244 16.4176 GPRESSAVG: 4159800 -0.321698 9.72624 -43.2759 8.56747 28.2479 48.972 -37.2151 48.993 16.5518 TIMING: 4159800 CPU: 13205, 0.00314504/step Wall: 13205, 0.00314504/step, 0.734016 hours remaining, 241.011719 MB of memory in use. ENERGY: 4159800 3975.9761 20514.0801 14459.3360 254.7641 -203692.9361 2583.6752 0.0000 0.0000 51845.0990 -110060.0056 297.9545 -161905.1046 -109702.1723 298.3434 221.7884 248.3845 761835.3083 14.9385 14.8260 PRESSURE: 4160000 216.095 -77.1399 16.5325 -77.1406 39.1102 -67.1493 16.5332 -67.148 185.686 GPRESSURE: 4160000 117.928 -31.6836 13.6003 -186.2 203.247 -147.421 -67.147 -67.7318 193.983 PRESSAVG: 4160000 38.5513 -51.232 -24.2392 -51.232 -32.9901 25.748 -24.2392 25.7478 -11.4302 GPRESSAVG: 4160000 38.0459 -51.9652 -22.4465 -53.3842 -32.0605 25.6295 -28.0955 24.8144 -12.4246 TIMING: 4160000 CPU: 13205.7, 0.0031546/step Wall: 13205.7, 0.0031546/step, 0.736074 hours remaining, 241.011719 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: 4160000 3943.3145 20393.9769 14473.7334 245.1560 -204063.9253 2788.0651 0.0000 0.0000 51937.9306 -110281.7488 298.4880 -162219.6794 -109930.5752 298.4044 146.9638 171.7193 759372.3362 -1.9563 -2.1464 PRESSURE: 4160200 213.821 -140.456 265.474 -140.455 63.6136 79.2569 265.474 79.2562 -397.991 GPRESSURE: 4160200 244.101 -81.6363 238.96 -134.7 152.949 96.8266 215.466 -50.2774 -439.397 PRESSAVG: 4160200 -52.358 -2.83195 -47.3036 -2.83196 47.302 23.566 -47.3036 23.566 14.6361 GPRESSAVG: 4160200 -52.9898 -0.22019 -48.1063 -2.15579 46.4411 25.5671 -45.5762 20.1074 15.909 TIMING: 4160200 CPU: 13206.3, 0.00313419/step Wall: 13206.3, 0.00313419/step, 0.731136 hours remaining, 241.011719 MB of memory in use. ENERGY: 4160200 3975.8334 20249.4989 14537.9521 229.9261 -204151.4465 2718.6866 0.0000 0.0000 51899.2329 -110540.3165 298.2656 -162439.5494 -110173.0541 297.6835 -40.1855 -14.1157 758119.2436 3.1934 3.1201 LDB: ============= START OF LOAD BALANCING ============== 13218.7 LDB: ============== END OF LOAD BALANCING =============== 13218.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13218.7 LDB: ============= START OF LOAD BALANCING ============== 13219.1 LDB: Largest compute 7056 load 0.037732 is 19.3% of average load 0.195388 LDB: Average compute 0.004435 is 2.3% of average load 0.195388 LDB: TIME 13219.1 LOAD: AVG 0.195388 MAX 0.21193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 13219.1 LOAD: AVG 0.195388 MAX 0.21193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.621 MB LDB: TIME 13219.1 LOAD: AVG 0.195388 MAX 0.21193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.621 MB LDB: ============== END OF LOAD BALANCING =============== 13219.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13219.1 PRESSURE: 4160400 419.237 5.82913 -9.22652 5.82905 -158.496 108.388 -9.22699 108.388 46.0956 GPRESSURE: 4160400 435.626 -105.767 -15.8938 67.7891 -45.4167 49.2874 66.2297 127.872 7.39557 PRESSAVG: 4160400 8.93662 -48.975 37.3285 -48.9749 -13.7445 -5.18883 37.3284 -5.18877 4.19241 GPRESSAVG: 4160400 9.96409 -51.1252 37.7744 -46.8355 -12.7008 -6.57421 38.5992 -1.17819 2.61473 TIMING: 4160400 CPU: 13206.9, 0.00323361/step Wall: 13206.9, 0.00323361/step, 0.75415 hours remaining, 239.835938 MB of memory in use. ENERGY: 4160400 3883.5927 20412.2896 14494.9003 244.5436 -203930.5420 2516.9193 0.0000 0.0000 51886.9650 -110491.3314 298.1951 -162378.2964 -110129.0164 297.5426 102.2788 132.5350 757842.0240 -0.2052 -0.0407 PRESSURE: 4160600 -47.0991 -14.4126 -264.621 -14.4118 227.023 61.0394 -264.62 61.0388 292.021 GPRESSURE: 4160600 -85.2523 -82.6291 -280.327 -20.7934 291.799 101.812 -140.017 12.6924 330.625 PRESSAVG: 4160600 83.6896 3.25095 -27.5182 3.25096 -26.4626 -4.96929 -27.5182 -4.9693 14.1381 GPRESSAVG: 4160600 83.2241 4.54392 -27.2077 0.248983 -26.8547 -3.81407 -29.2582 -6.28133 14.9189 TIMING: 4160600 CPU: 13207.6, 0.00316798/step Wall: 13207.6, 0.00316798/step, 0.738668 hours remaining, 240.039062 MB of memory in use. ENERGY: 4160600 3900.0404 20300.1235 14525.3588 239.0566 -204144.4006 2709.7895 0.0000 0.0000 51798.7962 -110671.2356 297.6884 -162470.0318 -110305.8562 297.4154 157.3150 179.0573 758847.5888 23.7884 23.7628 PRESSURE: 4160800 -170.188 19.9594 -137.893 19.9601 37.9178 -53.0213 -137.894 -53.0218 320.098 GPRESSURE: 4160800 -36.2515 76.86 -199.03 59.3861 16.3249 28.1362 26.7386 51.8586 269.565 PRESSAVG: 4160800 7.24391 20.2267 -31.365 20.2267 3.03117 -23.5122 -31.365 -23.5122 7.67088 GPRESSAVG: 4160800 6.61443 19.1693 -31.4657 21.8971 2.89534 -22.9643 -27.7454 -23.9819 7.8892 TIMING: 4160800 CPU: 13208.2, 0.00314842/step Wall: 13208.2, 0.00314842/step, 0.733932 hours remaining, 240.039062 MB of memory in use. ENERGY: 4160800 3933.1090 20326.8193 14536.7292 253.6858 -203374.7268 2244.3801 0.0000 0.0000 51694.6311 -110385.3722 297.0898 -162080.0033 -110019.6543 297.7670 62.6095 83.2128 759524.2994 5.9820 5.7997 PRESSURE: 4161000 -182.274 -139.612 94.6836 -139.612 -120.974 41.1199 94.6841 41.1201 166.491 GPRESSURE: 4161000 -108.409 -73.4162 133.13 -157.524 -46.2501 20.9377 48.1609 -103.392 114.393 PRESSAVG: 4161000 -8.09373 -33.7169 -51.3547 -33.7169 -16.6613 -21.1738 -51.3547 -21.1739 4.47579 GPRESSAVG: 4161000 -7.17493 -33.3771 -51.0627 -33.1608 -17.6535 -22.4333 -51.4457 -20.8918 3.73328 TIMING: 4161000 CPU: 13208.8, 0.00314745/step Wall: 13208.8, 0.00314745/step, 0.73353 hours remaining, 240.039062 MB of memory in use. ENERGY: 4161000 3906.3922 20328.8943 14450.7248 229.4275 -204215.5047 2876.0529 0.0000 0.0000 51904.3689 -110519.6441 298.2951 -162424.0130 -110173.1750 297.8551 -45.5858 -13.4219 759574.2420 -6.7597 -7.0317 PRESSURE: 4161200 189.927 111.658 -42.3583 111.658 34.216 -109.071 -42.3587 -109.07 148.996 GPRESSURE: 4161200 304.9 120.132 -99.4066 276.268 6.96018 -109.744 -87.8781 -170.588 144.58 PRESSAVG: 4161200 37.5628 -34.3943 -11.5335 -34.3944 -36.8986 -16.6974 -11.5336 -16.6974 -12.1737 GPRESSAVG: 4161200 35.8433 -36.1737 -10.2249 -34.1015 -35.5955 -15.4092 -14.8856 -15.1795 -11.496 TIMING: 4161200 CPU: 13209.5, 0.00315938/step Wall: 13209.5, 0.00315938/step, 0.736136 hours remaining, 240.039062 MB of memory in use. ENERGY: 4161200 3977.3891 20288.6456 14402.0066 244.6474 -203951.5925 2879.1889 0.0000 0.0000 51620.4310 -110539.2840 296.6633 -162159.7150 -110180.2825 297.1638 124.3799 152.1467 760344.8132 -3.8365 -3.7494 PRESSURE: 4161400 369.618 102.486 -161.89 102.487 -314.313 1.06557 -161.889 1.06499 73.4502 GPRESSURE: 4161400 424.03 -3.58692 -222.774 158.749 -270.674 24.4091 -41.2739 -29.6868 51.9187 PRESSAVG: 4161400 7.31315 33.1429 -8.31278 33.1428 -10.5275 34.8926 -8.31275 34.8926 10.5389 GPRESSAVG: 4161400 7.61823 36.011 -10.0375 31.4839 -11.2615 33.8303 -4.78509 32.48 11.0712 TIMING: 4161400 CPU: 13210.1, 0.00314081/step Wall: 13210.1, 0.00314081/step, 0.731633 hours remaining, 240.039062 MB of memory in use. ENERGY: 4161400 3917.3532 20364.3669 14580.2420 266.0253 -203552.9867 2559.6351 0.0000 0.0000 51420.5330 -110444.8312 295.5145 -161865.3642 -110086.1738 297.2087 42.9185 68.4249 759326.7558 2.4415 2.4760 PRESSURE: 4161600 -331.131 76.7235 67.7674 76.7236 -189.625 52.0271 67.7661 52.0274 -178.344 GPRESSURE: 4161600 -385.484 -20.9433 161.256 75.5646 -69.995 81.642 110.809 -121.034 -156.026 PRESSAVG: 4161600 39.3449 17.4057 6.06393 17.4056 -33.3207 37.3802 6.06391 37.3803 -5.72049 GPRESSAVG: 4161600 39.5659 15.606 7.22282 17.3544 -32.8824 37.0965 4.76801 39.6512 -5.56431 TIMING: 4161600 CPU: 13210.7, 0.00314495/step Wall: 13210.7, 0.00314495/step, 0.732425 hours remaining, 240.039062 MB of memory in use. ENERGY: 4161600 3968.4951 20371.9214 14451.6344 249.6484 -203568.7897 2487.9007 0.0000 0.0000 51709.9517 -110329.2381 297.1778 -162039.1898 -109973.0738 297.6044 -233.0331 -203.8350 759961.6229 0.1012 0.3731 PRESSURE: 4161800 -306.709 -100.881 -42.4399 -100.881 -106.141 199.391 -42.441 199.392 8.87646 GPRESSURE: 4161800 -222.076 -128.058 -34.8683 -34.1923 -132.33 172.963 78.2726 18.27 24.7603 PRESSAVG: 4161800 -1.94951 2.03187 -43.0699 2.0318 -23.9918 1.10274 -43.07 1.10269 14.9815 GPRESSAVG: 4161800 -0.756789 4.39324 -43.9685 0.460631 -25.0901 2.8733 -42.0693 -0.649725 14.4972 TIMING: 4161800 CPU: 13211.3, 0.00314553/step Wall: 13211.3, 0.00314553/step, 0.732384 hours remaining, 240.039062 MB of memory in use. ENERGY: 4161800 3962.3984 20375.2931 14438.0067 233.4237 -203375.2476 2216.3541 0.0000 0.0000 51881.6523 -110268.1192 298.1646 -162149.7715 -109911.5815 298.0051 -134.6579 -109.8820 758681.0897 -3.6533 -3.7832 PRESSURE: 4162000 -34.2106 -106.71 -414.427 -106.711 115.934 -22.1626 -414.427 -22.1638 320.483 GPRESSURE: 4162000 81.8981 -0.963316 -328.358 -87.0848 194.382 20.4816 -426.875 51.8341 210.309 PRESSAVG: 4162000 -33.4153 31.5512 -57.1824 31.5512 48.2965 21.166 -57.1824 21.1659 -14.0767 GPRESSAVG: 4162000 -35.0603 30.1592 -56.5019 33.1076 49.5758 18.8595 -58.3558 22.268 -12.7957 TIMING: 4162000 CPU: 13212, 0.003149/step Wall: 13212, 0.003149/step, 0.733018 hours remaining, 240.039062 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: 4162000 3942.4406 20347.7992 14426.6977 248.3394 -203735.8517 2660.0357 0.0000 0.0000 51851.3692 -110259.1699 297.9905 -162110.5391 -109893.7318 297.6185 134.0688 162.1962 759175.8797 0.2682 0.5733 PRESSURE: 4162200 -216.858 -96.9448 94.8698 -96.9456 -298.528 78.8627 94.87 78.8611 -251.264 GPRESSURE: 4162200 -208.201 -45.3689 62.0908 -108.638 -306.729 -59.9476 204.237 53.1682 -177.086 PRESSAVG: 4162200 30.0141 49.5909 -18.2309 49.5909 -55.3923 38.0818 -18.2309 38.0817 9.20646 GPRESSAVG: 4162200 32.5532 48.6765 -17.3049 50.1374 -57.0012 38.3948 -18.6875 39.4561 8.70115 TIMING: 4162200 CPU: 13212.6, 0.00314483/step Wall: 13212.6, 0.00314483/step, 0.731872 hours remaining, 240.039062 MB of memory in use. ENERGY: 4162200 3921.5644 20274.1711 14425.9394 241.4677 -202918.4832 1825.1167 0.0000 0.0000 51897.0740 -110333.1499 298.2532 -162230.2239 -109976.4333 297.4030 -255.5501 -230.6716 759229.3352 -5.3906 -5.2490 PRESSURE: 4162400 78.0414 68.4929 131.838 68.4935 467.544 95.9559 131.838 95.9547 450.795 GPRESSURE: 4162400 155.083 127.843 20.041 33.8963 541.301 136.635 87.493 195.852 394.119 PRESSAVG: 4162400 -8.45451 -4.896 -31.0603 -4.89598 11.7208 41.718 -31.0603 41.718 4.35905 GPRESSAVG: 4162400 -11.0195 -4.89334 -33.3445 -5.55137 14.3554 43.7945 -31.5111 39.7452 3.94282 TIMING: 4162400 CPU: 13213.2, 0.00315005/step Wall: 13213.2, 0.00315005/step, 0.732912 hours remaining, 240.039062 MB of memory in use. ENERGY: 4162400 3946.7026 20447.0976 14442.7431 244.1706 -203738.8322 2631.4008 0.0000 0.0000 51822.2672 -110204.4503 297.8233 -162026.7176 -109844.8746 297.8569 332.1269 363.5012 759642.9625 2.5418 2.4262 PRESSURE: 4162600 120.539 -23.9218 156.418 -23.9219 -256.439 55.3526 156.418 55.3514 -67.6835 GPRESSURE: 4162600 43.3352 -24.6388 242.724 -53.2989 -128.988 -37.6748 108.196 2.84861 -40.9914 PRESSAVG: 4162600 2.44238 8.8193 -8.41985 8.81935 4.74572 -37.6539 -8.41982 -37.6539 0.210583 GPRESSAVG: 4162600 2.98761 8.71812 -6.91907 8.41029 3.9035 -38.0172 -7.22578 -36.7516 -0.201212 TIMING: 4162600 CPU: 13213.9, 0.003149/step Wall: 13213.9, 0.003149/step, 0.732492 hours remaining, 240.039062 MB of memory in use. ENERGY: 4162600 3885.8749 20298.8972 14466.6426 255.0528 -204069.1759 2517.0815 0.0000 0.0000 52235.0175 -110410.6094 300.1954 -162645.6269 -110036.5717 298.3311 -67.8610 -42.2149 758422.5517 2.4662 2.2300 PRESSURE: 4162800 -299.115 10.9517 59.4732 10.9511 92.6939 92.5015 59.473 92.5018 -85.006 GPRESSURE: 4162800 -295.521 7.29642 37.2365 -16.921 189.716 22.3386 -147.605 -104.109 -115.362 PRESSAVG: 4162800 -6.06213 -40.0534 -45.684 -40.0534 31.9985 -4.75804 -45.684 -4.7581 6.22583 GPRESSAVG: 4162800 -6.60965 -40.334 -45.9688 -41.5403 32.461 -4.12675 -44.9952 -4.49587 6.04543 TIMING: 4162800 CPU: 13214.5, 0.00316419/step Wall: 13214.5, 0.00316419/step, 0.73585 hours remaining, 240.039062 MB of memory in use. ENERGY: 4162800 3993.4452 20315.1349 14448.0744 250.6767 -203989.6764 2407.3227 0.0000 0.0000 52114.9271 -110460.0955 299.5052 -162575.0226 -110083.4905 298.0802 -97.1423 -73.7224 756185.4215 10.7207 10.6322 PRESSURE: 4163000 -214.594 170.13 -99.5277 170.128 -290.236 -15.9582 -99.528 -15.9582 -519.219 GPRESSURE: 4163000 -114.791 66.0939 -180.723 78.3719 -331.594 49.3025 25.0067 76.608 -486.559 PRESSAVG: 4163000 -35.7407 -8.48298 9.4641 -8.48305 18.1843 13.3963 9.46408 13.3963 20.3884 GPRESSAVG: 4163000 -34.6266 -8.78581 7.76485 -7.19368 17.9719 12.9098 9.61697 13.0432 19.3411 TIMING: 4163000 CPU: 13215.1, 0.00313748/step Wall: 13215.1, 0.00313748/step, 0.729464 hours remaining, 240.039062 MB of memory in use. ENERGY: 4163000 4021.7903 20386.9200 14459.4618 234.4715 -203591.7455 2328.9458 0.0000 0.0000 52038.0923 -110122.0638 299.0636 -162160.1561 -109763.3232 298.4215 -341.3495 -310.9812 758859.1661 0.9440 0.8955 PRESSURE: 4163200 -57.9388 45.5209 -38.2888 45.5204 -30.7152 121.541 -38.2883 121.541 -95.2799 GPRESSURE: 4163200 19.3139 88.4971 -91.5767 -95.1381 -62.4913 49.4406 24.0421 85.264 -53.3391 PRESSAVG: 4163200 16.3909 -40.6684 -47.0448 -40.6684 -7.85636 18.3187 -47.0448 18.3187 -12.1718 GPRESSAVG: 4163200 14.8164 -39.6017 -47.7276 -40.7597 -7.9133 17.3799 -48.2096 18.8342 -11.0334 TIMING: 4163200 CPU: 13215.8, 0.00314956/step Wall: 13215.8, 0.00314956/step, 0.732098 hours remaining, 240.039062 MB of memory in use. ENERGY: 4163200 3964.7780 20279.3915 14446.6869 247.1570 -203581.8192 2397.6365 0.0000 0.0000 52169.2456 -110076.9237 299.8174 -162246.1694 -109719.0686 298.8015 -61.3113 -32.1721 758244.0668 -1.2124 -1.3768 PRESSURE: 4163400 20.9704 -97.004 -65.0674 -97.0044 192.009 4.74001 -65.0669 4.74019 -305.474 GPRESSURE: 4163400 75.2519 -154.263 -63.95 -89.2101 215.743 105.45 -107.118 101.967 -289.467 PRESSAVG: 4163400 17.5299 -22.9794 -68.2497 -22.9794 -40.6143 -30.624 -68.2497 -30.624 0.464657 GPRESSAVG: 4163400 18.1802 -22.2363 -66.5629 -23.0006 -41.74 -27.7591 -68.758 -31.7718 0.713206 TIMING: 4163400 CPU: 13216.4, 0.00315983/step Wall: 13216.4, 0.00315983/step, 0.734309 hours remaining, 240.039062 MB of memory in use. ENERGY: 4163400 4027.6473 20334.6367 14476.5424 221.9009 -203637.0736 2758.1411 0.0000 0.0000 51837.1340 -109981.0713 297.9087 -161818.2052 -109631.7046 297.7320 -30.8318 0.5092 757744.6119 -7.5399 -7.6155 PRESSURE: 4163600 -69.2209 -45.6903 150.927 -45.6914 38.7075 96.6435 150.927 96.6429 233.16 GPRESSURE: 4163600 -72.7448 -89.8285 185.925 -48.0713 126.927 162.142 78.2104 15.303 240.341 PRESSAVG: 4163600 9.87963 11.9325 -56.5845 11.9326 -51.2739 -3.76239 -56.5845 -3.7624 11.7351 GPRESSAVG: 4163600 9.91597 11.0222 -56.8531 10.8145 -50.4108 -5.32632 -56.9195 -3.43215 10.9486 TIMING: 4163600 CPU: 13217, 0.00313674/step Wall: 13217, 0.00313674/step, 0.728768 hours remaining, 240.039062 MB of memory in use. ENERGY: 4163600 3823.2812 20503.3088 14502.0084 258.1157 -203273.1199 2521.3773 0.0000 0.0000 51779.9456 -109885.0829 297.5801 -161665.0285 -109537.8883 298.3846 67.5489 98.1742 760013.2865 -9.8864 -9.8487 PRESSURE: 4163800 -301.222 -30.2936 -76.8222 -30.2942 122.518 -77.3285 -76.8221 -77.3288 -629.577 GPRESSURE: 4163800 -169.471 31.2733 -214.642 51.1101 45.1601 -110.565 -144.557 -102.035 -579.457 PRESSAVG: 4163800 -32.5786 -3.2671 -1.08475 -3.26711 75.4103 17.6385 -1.08468 17.6386 -5.03049 GPRESSAVG: 4163800 -33.4649 -4.6231 -0.617735 -1.56464 75.2415 17.2851 -0.703135 18.1923 -4.63881 TIMING: 4163800 CPU: 13217.6, 0.00312313/step Wall: 13217.6, 0.00312313/step, 0.725434 hours remaining, 240.039062 MB of memory in use. ENERGY: 4163800 3939.9529 20139.4549 14468.0174 238.7898 -203115.9237 2134.4089 0.0000 0.0000 52115.2619 -110080.0377 299.5071 -162195.2997 -109718.3703 298.3784 -269.4268 -234.5893 760370.3797 12.6004 12.3793 PRESSURE: 4164000 40.2125 246.845 85.4313 246.846 -219.268 -3.17244 85.4315 -3.17289 -291.836 GPRESSURE: 4164000 83.4411 206.037 109.627 295.436 -131.4 6.22748 -21.2933 -6.78886 -363.657 PRESSAVG: 4164000 -42.9155 16.5388 -42.7577 16.5387 62.6656 -0.709042 -42.7577 -0.708955 -29.8673 GPRESSAVG: 4164000 -41.0749 17.1214 -43.4219 17.2106 60.6888 -0.657178 -43.8561 -1.57312 -29.5718 TIMING: 4164000 CPU: 13218.3, 0.00314467/step Wall: 13218.3, 0.00314467/step, 0.730262 hours remaining, 240.039062 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: 4164000 3994.4184 20220.2237 14438.6816 251.7307 -203511.4990 2628.5951 0.0000 0.0000 51973.4449 -110004.4046 298.6921 -161977.8495 -109650.2818 298.6374 -156.9636 -137.2053 761688.3047 -3.3724 -3.3193 PRESSURE: 4164200 74.6099 -48.9124 -222.826 -48.9121 -4.48837 46.9853 -222.826 46.985 430.398 GPRESSURE: 4164200 105.617 14.8165 -156.738 -72.2266 61.2587 35.8866 -200.958 -10.3816 433.465 PRESSAVG: 4164200 -8.84241 -89.4421 -26.3041 -89.4421 24.9007 39.8918 -26.3041 39.8918 1.20534 GPRESSAVG: 4164200 -9.17712 -89.0979 -25.045 -91.0527 27.1065 39.8379 -24.5301 40.7279 -0.0743265 TIMING: 4164200 CPU: 13218.9, 0.00312191/step Wall: 13218.9, 0.00312191/step, 0.724803 hours remaining, 240.039062 MB of memory in use. ENERGY: 4164200 3946.7287 20353.7257 14458.6021 259.7231 -203394.1019 2365.3800 0.0000 0.0000 51744.3119 -110265.6305 297.3753 -162009.9424 -109904.6166 298.0166 166.8400 200.1138 759346.2077 5.7545 5.9517 LDB: ============= START OF LOAD BALANCING ============== 13231.3 LDB: ============== END OF LOAD BALANCING =============== 13231.3 LDB: =============== DONE WITH MIGRATION ================ 13231.3 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13231.7 LDB: Largest compute 7069 load 0.036118 is 18.5% of average load 0.195458 LDB: Average compute 0.004421 is 2.3% of average load 0.195458 LDB: TIME 13231.7 LOAD: AVG 0.195458 MAX 0.21358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 13231.7 LOAD: AVG 0.195458 MAX 0.21358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 13231.7 LOAD: AVG 0.195458 MAX 0.21358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 13231.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13231.7 PRESSURE: 4164400 -277.622 -110.055 92.1718 -110.055 -104.466 16.6199 92.1727 16.6208 -55.153 GPRESSURE: 4164400 -172.344 -49.822 166.677 -81.5196 -119.943 -1.39846 62.3214 110.078 -52.0227 PRESSAVG: 4164400 -38.3897 -21.6021 -54.7952 -21.6022 -15.107 19.794 -54.7952 19.794 -20.3566 GPRESSAVG: 4164400 -38.9104 -20.664 -55.3548 -21.9338 -15.329 19.7823 -55.1259 19.3744 -19.4806 TIMING: 4164400 CPU: 13219.5, 0.00317681/step Wall: 13219.5, 0.00317681/step, 0.737373 hours remaining, 240.808594 MB of memory in use. ENERGY: 4164400 4023.6719 20510.0005 14384.7385 262.6950 -203395.7330 2293.7586 0.0000 0.0000 51930.1560 -109990.7126 298.4433 -161920.8686 -109635.4202 298.4833 -145.7471 -114.7699 760240.7464 -24.6177 -24.5733 PRESSURE: 4164600 428.896 45.1926 -179.421 45.1927 383.462 21.084 -179.421 21.0838 51.4817 GPRESSURE: 4164600 509.295 52.4875 -173.62 -122.779 371.678 -14.1598 -44.842 91.6494 51.2727 PRESSAVG: 4164600 -11.2025 -43.681 -29.6543 -43.6811 56.9699 -39.778 -29.6542 -39.778 6.0095 GPRESSAVG: 4164600 -11.3867 -43.8139 -29.043 -42.1858 57.4626 -39.1806 -27.3208 -40.713 5.86935 TIMING: 4164600 CPU: 13220.1, 0.00310359/step Wall: 13220.1, 0.00310358/step, 0.720204 hours remaining, 240.808594 MB of memory in use. ENERGY: 4164600 3947.9982 20455.4214 14430.4489 243.1137 -203587.3269 2600.5520 0.0000 0.0000 52158.2981 -109751.4945 299.7545 -161909.7927 -109376.0052 299.2782 287.9469 310.7485 758473.5167 17.2590 17.3151 PRESSURE: 4164800 110.695 -345.694 18.4037 -345.694 -59.3897 21.2276 18.4041 21.2266 -248.928 GPRESSURE: 4164800 155.777 -364.928 81.9458 -237.591 -68.57 14.7243 83.2552 -44.7494 -201.974 PRESSAVG: 4164800 -28.2486 14.5641 -11.8422 14.564 0.640305 8.94945 -11.8422 8.94941 -13.3639 GPRESSAVG: 4164800 -27.1265 14.5418 -11.3303 13.3326 0.387116 8.1662 -12.4386 10.297 -14.3431 TIMING: 4164800 CPU: 13220.8, 0.00313213/step Wall: 13220.8, 0.00313213/step, 0.726654 hours remaining, 240.808594 MB of memory in use. ENERGY: 4164800 4005.1923 20580.4391 14362.6624 246.3120 -203820.3365 2673.7688 0.0000 0.0000 52276.4684 -109675.4936 300.4336 -161951.9620 -109326.0194 298.9731 -65.8741 -38.2558 760185.8707 -13.6574 -13.6942 PRESSURE: 4165000 -30.6952 67.7945 -106.155 67.7945 350.434 -12.2744 -106.154 -12.2736 480.034 GPRESSURE: 4165000 46.3137 67.3796 -92.1268 39.0522 409.661 7.5246 -129.831 57.0614 453.845 PRESSAVG: 4165000 -2.30882 -65.9035 -86.6019 -65.9035 11.3767 -8.86577 -86.6019 -8.86575 6.69383 GPRESSAVG: 4165000 -3.39364 -67.1219 -87.2073 -64.5833 12.0973 -6.92705 -87.4243 -9.36583 6.8838 TIMING: 4165000 CPU: 13221.4, 0.00313569/step Wall: 13221.4, 0.00313569/step, 0.727307 hours remaining, 240.808594 MB of memory in use. ENERGY: 4165000 3904.1167 20451.0390 14465.5961 226.4719 -203603.7782 2651.5804 0.0000 0.0000 52177.5806 -109727.3936 299.8653 -161904.9742 -109360.2771 299.7929 266.5910 303.2732 758560.6449 5.2539 5.1958 PRESSURE: 4165200 -243.155 -115.961 36.4188 -115.962 -310.778 -176.728 36.4184 -176.729 67.6237 GPRESSURE: 4165200 -270.964 -146.175 -22.9115 -105.151 -203.443 -180.866 2.39932 -179.713 66.1179 PRESSAVG: 4165200 -11.9167 -72.3247 -29.2034 -72.3247 21.031 46.202 -29.2034 46.202 0.642055 GPRESSAVG: 4165200 -12.6385 -70.1622 -30.7559 -74.1463 20.6335 46.0147 -31.638 44.8839 1.22362 TIMING: 4165200 CPU: 13222, 0.003137/step Wall: 13222, 0.003137/step, 0.727435 hours remaining, 240.808594 MB of memory in use. ENERGY: 4165200 3933.1944 20670.0095 14374.8555 249.5942 -203317.9486 2275.2369 0.0000 0.0000 52004.5527 -109810.5055 298.8709 -161815.0581 -109443.6037 299.4120 -162.1031 -136.0965 759111.3786 3.2521 3.0729 PRESSURE: 4165400 194.801 -205.209 -50.1366 -205.209 204.544 -107.717 -50.1365 -107.718 19.4987 GPRESSURE: 4165400 237.564 -131.423 6.80783 -165.169 263.68 -126.142 -153.522 -37.5095 34.5825 PRESSAVG: 4165400 -31.8103 -25.5054 -46.2673 -25.5054 32.207 -80.8809 -46.2673 -80.8809 4.81213 GPRESSAVG: 4165400 -32.2446 -28.3299 -45.5561 -23.9424 32.297 -82.0706 -46.2518 -78.4647 5.3175 TIMING: 4165400 CPU: 13222.7, 0.00313723/step Wall: 13222.7, 0.00313723/step, 0.727313 hours remaining, 240.808594 MB of memory in use. ENERGY: 4165400 4001.0149 20354.1003 14424.6029 237.7999 -203506.1817 2514.0136 0.0000 0.0000 52226.1203 -109748.5299 300.1442 -161974.6502 -109379.8832 298.8999 139.6148 178.6089 757582.2332 1.7363 1.7899 PRESSURE: 4165600 21.6235 -44.7762 -118.51 -44.7763 -50.6958 164.455 -118.509 164.455 246.594 GPRESSURE: 4165600 -24.7415 -41.7419 -93.8956 -103.797 93.5538 161.3 29.3617 150.429 239.337 PRESSAVG: 4165600 3.95608 -37.7354 -67.3163 -37.7354 -19.2376 -25.1193 -67.3163 -25.1193 5.33927 GPRESSAVG: 4165600 4.51366 -36.9519 -67.3142 -38.2134 -19.1804 -25.9391 -66.3442 -24.2974 4.78254 TIMING: 4165600 CPU: 13223.3, 0.00314862/step Wall: 13223.3, 0.00314862/step, 0.72978 hours remaining, 240.808594 MB of memory in use. ENERGY: 4165600 3954.8556 20410.5122 14386.3070 238.6455 -203306.4407 2250.5952 0.0000 0.0000 52256.8588 -109808.6663 300.3209 -162065.5252 -109450.7805 299.4783 72.5073 102.7164 761485.3794 -3.3141 -3.2947 PRESSURE: 4165800 1.3583 -29.6868 -114.919 -29.6874 -276.405 -31.6013 -114.919 -31.6021 118.137 GPRESSURE: 4165800 44.9796 105.04 -132.813 28.5566 -294.238 -163.67 -143.82 0.67864 163.467 PRESSAVG: 4165800 -1.52923 -18.8437 -42.6881 -18.8437 14.0767 -68.5306 -42.6881 -68.5305 26.4446 GPRESSAVG: 4165800 -0.38101 -18.4289 -41.5833 -19.2835 13.4245 -67.1809 -44.6118 -71.0147 26.4076 TIMING: 4165800 CPU: 13223.9, 0.00314348/step Wall: 13223.9, 0.00314348/step, 0.728413 hours remaining, 240.808594 MB of memory in use. ENERGY: 4165800 3911.9066 20618.6763 14429.7179 252.4854 -203996.6563 2639.1069 0.0000 0.0000 52235.5183 -109909.2450 300.1982 -162144.7633 -109547.3213 299.5403 -52.3031 -28.5972 762021.6106 12.9974 13.1503 PRESSURE: 4166000 -42.8798 -353.902 -131.155 -353.902 91.779 180.939 -131.155 180.939 -25.081 GPRESSURE: 4166000 -80.9188 -393.819 -179.003 -343.444 154.476 141.81 -21.1822 268.172 17.6678 PRESSAVG: 4166000 10.4275 -15.2519 -51.3901 -15.2519 -6.11369 -3.68484 -51.3901 -3.68482 -26.1745 GPRESSAVG: 4166000 9.92594 -15.4954 -53.4268 -15.4166 -5.01501 -5.45255 -47.961 -1.69848 -26.8116 TIMING: 4166000 CPU: 13224.5, 0.00314086/step Wall: 13224.5, 0.00314086/step, 0.727633 hours remaining, 240.808594 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: 4166000 3974.1425 20799.7356 14444.6294 236.8455 -203448.0230 2294.8253 0.0000 0.0000 51966.4280 -109731.4166 298.6518 -161697.8446 -109370.9715 299.6290 7.9394 30.4085 759368.6877 -7.2869 -7.3002 PRESSURE: 4166200 -385.092 177.657 86.8438 177.657 54.6023 238.024 86.8441 238.025 -312.484 GPRESSURE: 4166200 -285.335 252.764 56.7093 99.5182 74.2883 242.638 -12.137 201.27 -352.697 PRESSAVG: 4166200 1.83497 -46.6924 -50.5304 -46.6924 34.2912 46.4686 -50.5305 46.4686 20.5125 GPRESSAVG: 4166200 1.01181 -46.7422 -49.9497 -44.9927 34.2694 47.9498 -51.5176 43.5513 20.6613 TIMING: 4166200 CPU: 13225.2, 0.00312771/step Wall: 13225.2, 0.00312771/step, 0.724413 hours remaining, 240.808594 MB of memory in use. ENERGY: 4166200 4093.2034 20436.3569 14479.1981 259.3430 -203433.9338 2253.8580 0.0000 0.0000 52120.2260 -109791.7484 299.5357 -161911.9744 -109436.1412 299.3255 -214.3245 -187.9147 759979.2856 18.8796 18.6475 PRESSURE: 4166400 54.0899 -29.3285 -222.705 -29.3284 110.205 117.201 -222.704 117.202 543.15 GPRESSURE: 4166400 106.814 -10.3037 -190.794 99.1901 194.638 95.4649 -242.686 225.207 510.384 PRESSAVG: 4166400 4.44475 14.8619 -39.8788 14.8619 26.5316 35.653 -39.8788 35.653 -17.6337 GPRESSAVG: 4166400 5.21434 13.7119 -40.8035 14.8131 26.0964 36.6286 -41.0424 37.186 -17.6675 TIMING: 4166400 CPU: 13225.8, 0.00315785/step Wall: 13225.8, 0.00315785/step, 0.731218 hours remaining, 240.808594 MB of memory in use. ENERGY: 4166400 3941.8942 20390.4278 14402.1315 287.9495 -203928.7282 2769.5827 0.0000 0.0000 52272.4143 -109864.3282 300.4103 -162136.7426 -109500.0995 299.0238 235.8150 270.6120 758933.5335 4.4475 4.5478 PRESSURE: 4166600 49.9323 12.2959 -129.888 12.2953 291.856 -35.9013 -129.887 -35.902 -30.5749 GPRESSURE: 4166600 73.7707 -53.53 -88.9023 -62.9151 361.859 -4.09369 -120.935 42.1164 -33.3802 PRESSAVG: 4166600 -42.1845 -18.5118 -61.4975 -18.5118 13.1315 -6.07346 -61.4975 -6.07346 4.82968 GPRESSAVG: 4166600 -42.1074 -16.5049 -61.1502 -19.2649 12.6836 -7.15847 -58.648 -5.07418 4.89013 TIMING: 4166600 CPU: 13226.4, 0.0031261/step Wall: 13226.4, 0.0031261/step, 0.723692 hours remaining, 240.808594 MB of memory in use. ENERGY: 4166600 3935.0663 20414.4899 14372.3838 234.6481 -203057.1770 2125.3556 0.0000 0.0000 52046.4994 -109928.7340 299.1119 -161975.2334 -109555.2231 299.0684 103.7380 134.0832 759037.5014 -8.0745 -8.1779 PRESSURE: 4166800 -280.393 4.49334 244.092 4.49318 201.029 -58.1552 244.092 -58.1544 193.879 GPRESSURE: 4166800 -183.741 -153.1 325.554 54.6681 281.115 -8.43903 15.6123 -99.4706 118.332 PRESSAVG: 4166800 3.23579 -23.8186 14.4952 -23.8186 -2.1051 8.74267 14.4952 8.74269 -4.2818 GPRESSAVG: 4166800 1.59365 -26.2629 14.5786 -23.8017 -0.238552 7.61778 11.0969 7.89412 -4.21962 TIMING: 4166800 CPU: 13227, 0.00312354/step Wall: 13227, 0.00312354/step, 0.722925 hours remaining, 240.808594 MB of memory in use. ENERGY: 4166800 4014.7088 20459.8936 14395.5054 254.2975 -203563.5279 2537.9221 0.0000 0.0000 51975.6060 -109925.5944 298.7045 -161901.2004 -109566.1650 298.9449 38.1716 71.9018 758298.4883 -1.0504 -0.9548 PRESSURE: 4167000 276.909 -142.967 18.0624 -142.968 59.1061 -217.034 18.0626 -217.034 292.562 GPRESSURE: 4167000 327.487 -84.6481 14.8644 -6.77729 31.281 -155.722 8.6701 -212.682 360.959 PRESSAVG: 4167000 -14.5503 36.3324 -23.4112 36.3324 20.9426 -30.4141 -23.4112 -30.414 -3.98785 GPRESSAVG: 4167000 -13.5017 37.2276 -23.4671 35.3034 19.4969 -30.1373 -21.3988 -29.4822 -3.46236 TIMING: 4167000 CPU: 13227.7, 0.0031299/step Wall: 13227.7, 0.0031299/step, 0.724223 hours remaining, 240.808594 MB of memory in use. ENERGY: 4167000 3975.2626 20548.0191 14380.7663 249.2724 -203866.1665 2826.4353 0.0000 0.0000 51958.0546 -109928.3562 298.6037 -161886.4107 -109570.5650 298.7914 209.5258 239.9092 759789.4507 0.8015 0.8443 PRESSURE: 4167200 -370.327 72.2895 92.1044 72.2891 14.6534 -137.517 92.1042 -137.517 -162.757 GPRESSURE: 4167200 -342.153 153.211 84.8198 63.3042 33.5913 3.49748 26.6173 -74.8 -132.102 PRESSAVG: 4167200 -47.4677 38.3784 -56.312 38.3783 28.4687 18.7024 -56.3121 18.7024 -9.57092 GPRESSAVG: 4167200 -47.4329 38.3767 -55.4136 39.7676 28.6637 17.349 -57.3373 18.3703 -9.96565 TIMING: 4167200 CPU: 13228.3, 0.00313029/step Wall: 13228.3, 0.00313029/step, 0.724141 hours remaining, 240.808594 MB of memory in use. ENERGY: 4167200 3930.9349 20445.5403 14382.6400 237.4741 -203525.8294 2211.6970 0.0000 0.0000 52232.9063 -110084.6368 300.1832 -162317.5430 -109714.5308 298.5360 -172.8101 -146.8880 760376.1533 -9.5233 -9.5783 PRESSURE: 4167400 -159.654 55.3608 91.4751 55.3611 -277.445 182.895 91.4749 182.894 222.747 GPRESSURE: 4167400 -68.5268 -19.6178 -70.0131 41.7606 -238.418 182.261 53.4978 262.512 150.607 PRESSAVG: 4167400 -34.1999 -21.7816 13.3229 -21.7816 20.8986 32.8432 13.3229 32.8433 15.6093 GPRESSAVG: 4167400 -33.7388 -21.7696 12.6298 -22.7351 20.3709 33.9695 13.826 32.6915 15.7092 TIMING: 4167400 CPU: 13228.9, 0.00314911/step Wall: 13228.9, 0.00314911/step, 0.72832 hours remaining, 240.808594 MB of memory in use. ENERGY: 4167400 4006.9973 20380.0300 14416.5490 231.9961 -203909.2680 2690.2889 0.0000 0.0000 52002.5030 -110180.9037 298.8591 -162183.4067 -109817.7542 298.4508 -71.4505 -52.1126 759736.7803 0.7694 0.7804 PRESSURE: 4167600 6.47163 -13.054 10.2345 -13.0538 47.3407 183.527 10.235 183.526 190.243 GPRESSURE: 4167600 66.1044 -182.686 38.1034 -17.3911 72.3292 162.628 -36.5862 149.332 191.4 PRESSAVG: 4167600 16.2672 -31.1576 -31.3565 -31.1575 -72.248 19.803 -31.3565 19.8029 9.83331 GPRESSAVG: 4167600 16.022 -33.2248 -31.6477 -30.6082 -71.7014 20.0325 -31.5288 20.2073 9.6138 TIMING: 4167600 CPU: 13229.6, 0.00313483/step Wall: 13229.6, 0.00313483/step, 0.724842 hours remaining, 240.808594 MB of memory in use. ENERGY: 4167600 4016.1846 20399.3905 14466.6538 244.5158 -203332.4694 2378.6122 0.0000 0.0000 51822.5071 -110004.6054 297.8247 -161827.1125 -109636.7313 297.8896 81.3517 109.9444 759079.2069 -15.3825 -15.3552 PRESSURE: 4167800 -237.219 -177.368 -91.9713 -177.367 -275.964 -9.17289 -91.9704 -9.174 -499.089 GPRESSURE: 4167800 -259.451 -127.535 -128.441 -43.293 -207.462 39.4827 9.7771 4.29334 -486.304 PRESSAVG: 4167800 40.6544 4.92323 2.68199 4.92314 25.3172 12.948 2.68194 12.948 -3.71112 GPRESSAVG: 4167800 39.9752 7.15122 2.27535 5.88974 25.6829 14.2746 0.268501 11.1924 -3.38213 TIMING: 4167800 CPU: 13230.2, 0.00315171/step Wall: 13230.2, 0.00315171/step, 0.728571 hours remaining, 240.808594 MB of memory in use. ENERGY: 4167800 4037.2264 20517.9574 14484.2680 221.7124 -203679.3717 2382.4137 0.0000 0.0000 52060.3449 -109975.4489 299.1915 -162035.7938 -109616.5713 298.7850 -337.4241 -317.7390 759734.2805 20.7535 20.7587 PRESSURE: 4168000 -179.51 -16.9363 -216.272 -16.9373 63.9164 192.67 -216.272 192.671 -208.473 GPRESSURE: 4168000 -187.735 37.6966 -257.441 -26.555 148.607 99.173 -226.144 204.278 -212.413 PRESSAVG: 4168000 -24.3153 -8.41856 19.3877 -8.41851 -3.49912 13.7254 19.3878 13.7253 -9.48835 GPRESSAVG: 4168000 -25.1341 -8.28329 20.7491 -9.40239 -2.4563 12.7366 22.4158 15.7703 -10.0162 TIMING: 4168000 CPU: 13230.8, 0.00313796/step Wall: 13230.8, 0.00313796/step, 0.725217 hours remaining, 240.808594 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: 4168000 3950.4061 20708.7652 14512.9951 257.5892 -203628.0778 2394.2161 0.0000 0.0000 51980.7200 -109823.3862 298.7339 -161804.1062 -109468.7455 298.7854 -108.0222 -83.8470 758810.4844 -12.4342 -12.5355 PRESSURE: 4168200 -393.346 -54.2552 18.1281 -54.2554 -327.269 -86.3308 18.1278 -86.33 -241.434 GPRESSURE: 4168200 -258.394 -57.5779 -82.203 -71.8729 -333.072 -84.9065 21.126 -98.4367 -280.488 PRESSAVG: 4168200 7.69997 -36.3579 27.316 -36.3578 10.3868 -1.45036 27.316 -1.45038 7.66906 GPRESSAVG: 4168200 9.84464 -36.3338 26.4177 -37.2917 7.80656 -1.99451 25.9265 -3.39312 8.06314 TIMING: 4168200 CPU: 13231.4, 0.00313901/step Wall: 13231.4, 0.00313901/step, 0.725286 hours remaining, 240.808594 MB of memory in use. ENERGY: 4168200 4040.1411 20432.6439 14510.2840 245.6487 -203431.5358 2271.7397 0.0000 0.0000 52192.1882 -109738.8901 299.9492 -161931.0783 -109367.4619 299.6153 -320.6828 -290.6515 761819.9344 8.5853 8.5714 LDB: ============= START OF LOAD BALANCING ============== 13243.9 LDB: ============== END OF LOAD BALANCING =============== 13243.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13243.9 LDB: ============= START OF LOAD BALANCING ============== 13244.2 LDB: Largest compute 7056 load 0.036395 is 18.6% of average load 0.195414 LDB: Average compute 0.004403 is 2.3% of average load 0.195414 LDB: TIME 13244.2 LOAD: AVG 0.195414 MAX 0.215632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 13244.2 LOAD: AVG 0.195414 MAX 0.215632 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.383 MB LDB: TIME 13244.2 LOAD: AVG 0.195414 MAX 0.215632 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.383 MB LDB: ============== END OF LOAD BALANCING =============== 13244.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13244.2 PRESSURE: 4168400 -237.492 87.4849 -54.3773 87.4845 -132.229 53.6288 -54.3768 53.6277 -124.385 GPRESSURE: 4168400 -165.305 -12.0975 -133.417 85.4512 -168.839 -14.9241 50.4537 -37.7404 -78.896 PRESSAVG: 4168400 -10.6241 -25.5608 -44.953 -25.5608 -10.9869 -3.9956 -44.9531 -3.9956 -17.4697 GPRESSAVG: 4168400 -10.9323 -27.2447 -44.4143 -25.63 -11.1046 -2.63044 -43.9513 -5.36193 -17.5068 TIMING: 4168400 CPU: 13232.1, 0.00321758/step Wall: 13232.1, 0.00321758/step, 0.743262 hours remaining, 239.835938 MB of memory in use. ENERGY: 4168400 3940.3273 20438.0320 14392.3068 255.0600 -203836.0553 2464.1225 0.0000 0.0000 52229.2074 -110116.9992 300.1620 -162346.2066 -109753.4280 298.8929 -164.7018 -137.6801 759263.6338 -13.0269 -13.1813 PRESSURE: 4168600 177.403 -237.104 87.2494 -237.104 123.914 296.575 87.2495 296.575 -7.284 GPRESSURE: 4168600 251.433 -256.524 127.695 -186.734 173.603 250.298 78.6408 280.417 -47.4178 PRESSAVG: 4168600 24.3301 -29.0024 -1.56811 -29.0024 -18.1462 -15.6453 -1.56814 -15.6453 2.74486 GPRESSAVG: 4168600 23.9851 -27.9084 -1.14759 -26.8419 -16.9818 -16.695 -1.20297 -14.7809 2.68949 TIMING: 4168600 CPU: 13232.7, 0.00314154/step Wall: 13232.7, 0.00314154/step, 0.725521 hours remaining, 239.835938 MB of memory in use. ENERGY: 4168600 3968.1206 20593.4498 14428.9286 249.5293 -203769.2365 2549.9050 0.0000 0.0000 51971.8277 -110007.4755 298.6828 -161979.3031 -109655.3234 298.3728 98.0111 125.8726 758481.9723 2.9763 3.2309 PRESSURE: 4168800 -22.3148 258.581 -31.777 258.581 -504.067 -154.324 -31.7773 -154.324 -288.709 GPRESSURE: 4168800 -101.924 207.318 63.0108 321.402 -419.642 -179.721 -6.60727 -217.754 -227.813 PRESSAVG: 4168800 12.0873 -17.9993 15.9734 -17.9993 -24.0593 -0.309006 15.9733 -0.30898 -12.4541 GPRESSAVG: 4168800 11.8668 -17.3022 16.0147 -18.8017 -23.8151 0.194713 15.8674 -0.568627 -13.2589 TIMING: 4168800 CPU: 13233.3, 0.00312035/step Wall: 13233.3, 0.00312035/step, 0.720454 hours remaining, 239.835938 MB of memory in use. ENERGY: 4168800 4049.1531 20511.9417 14438.8501 241.6550 -203160.6518 1958.3732 0.0000 0.0000 51916.8988 -110043.7797 298.3671 -161960.6786 -109689.1250 298.4907 -271.6969 -249.7930 759865.7140 -8.1420 -8.4024 PRESSURE: 4169000 -12.787 -240.391 148.164 -240.392 26.9959 229.786 148.163 229.787 30.4117 GPRESSURE: 4169000 116.876 -298.187 111.214 -266.11 81.6122 251.505 83.0187 169.795 -66.4133 PRESSAVG: 4169000 -18.5468 -29.1601 -8.0959 -29.1602 -11.0523 -29.1671 -8.09601 -29.1671 -11.2649 GPRESSAVG: 4169000 -18.6573 -30.0872 -8.45029 -28.5652 -10.8435 -30.762 -7.80334 -28.8273 -11.3984 TIMING: 4169000 CPU: 13234, 0.00315521/step Wall: 13234, 0.0031552/step, 0.728326 hours remaining, 239.835938 MB of memory in use. ENERGY: 4169000 3973.2203 20505.3786 14414.3538 236.2218 -203249.5701 2364.9029 0.0000 0.0000 51818.5561 -109936.9365 297.8020 -161755.4927 -109582.6791 298.4924 14.8735 44.0251 760208.4807 -13.6213 -13.6331 PRESSURE: 4169200 118.317 -55.6674 137.317 -55.6666 337.578 -91.3502 137.317 -91.3512 474.632 GPRESSURE: 4169200 113.544 -91.0653 124.829 -61.4305 385.059 -52.9955 142.433 -116.389 511.045 PRESSAVG: 4169200 -6.07801 3.35201 34.42 3.35207 2.88356 -25.5428 34.42 -25.5428 -5.78421 GPRESSAVG: 4169200 -6.67536 2.23335 34.29 4.24954 2.74282 -24.1593 31.1186 -26.3977 -5.25206 TIMING: 4169200 CPU: 13234.6, 0.00313317/step Wall: 13234.6, 0.00313317/step, 0.723066 hours remaining, 239.835938 MB of memory in use. ENERGY: 4169200 3977.0421 20548.8256 14409.8636 248.8130 -203547.8536 2593.1522 0.0000 0.0000 51934.8661 -109835.2910 298.4704 -161770.1571 -109475.3513 299.1527 310.1755 336.5497 759350.8077 -2.9929 -3.0615 PRESSURE: 4169400 204.316 153.741 61.2603 153.742 44.7853 -108.66 61.2609 -108.658 53.8892 GPRESSURE: 4169400 278.705 259.144 41.4971 183.721 27.985 -136.42 1.06659 -90.0279 72.7247 PRESSAVG: 4169400 -32.948 12.4061 19.9878 12.4061 -1.47537 -47.15 19.9879 -47.15 -11.065 GPRESSAVG: 4169400 -32.2185 14.544 20.2433 11.1157 -2.06981 -46.1091 21.1397 -46.474 -11.2731 TIMING: 4169400 CPU: 13235.2, 0.00313752/step Wall: 13235.2, 0.00313752/step, 0.723895 hours remaining, 239.835938 MB of memory in use. ENERGY: 4169400 4081.0170 20433.2675 14412.7096 245.0299 -203863.5614 2586.4145 0.0000 0.0000 52192.8143 -109912.3088 299.9528 -162105.1230 -109540.6394 299.1047 100.9967 126.4716 759666.7177 -15.1628 -15.1871 PRESSURE: 4169600 95.4401 24.5057 -162.114 24.5065 -21.3419 -156.449 -162.114 -156.448 -290.406 GPRESSURE: 4169600 127.735 30.8775 -163.6 92.2426 55.2189 -97.0687 -126.682 -187.244 -302.869 PRESSAVG: 4169600 -12.5054 32.3611 -2.69085 32.361 16.5421 16.4408 -2.69082 16.4407 -23.9709 GPRESSAVG: 4169600 -13.0921 32.1376 -2.44952 33.3983 16.6474 15.4897 -2.76516 15.6968 -22.8711 TIMING: 4169600 CPU: 13235.9, 0.00313176/step Wall: 13235.9, 0.00313176/step, 0.722393 hours remaining, 239.835938 MB of memory in use. ENERGY: 4169600 4039.8922 20441.1479 14378.5265 253.8112 -203639.4476 2600.4462 0.0000 0.0000 51943.0378 -109982.5859 298.5174 -161925.6237 -109609.0779 298.7608 -72.1025 -39.9718 759611.3353 -6.6447 -6.4386 PRESSURE: 4169800 -78.4387 95.1773 -18.8829 95.177 283.617 -57.4955 -18.8825 -57.4963 27.8462 GPRESSURE: 4169800 44.425 114.106 65.4869 7.20352 263.414 -37.7477 65.4651 -20.4612 48.8182 PRESSAVG: 4169800 -46.58 34.1476 -27.8659 34.1476 8.48581 -2.49664 -27.8659 -2.49663 3.37237 GPRESSAVG: 4169800 -45.5354 33.6725 -27.0456 33.2678 8.03541 -2.97827 -25.9615 -1.76738 3.01091 TIMING: 4169800 CPU: 13236.5, 0.00314273/step Wall: 13236.5, 0.00314273/step, 0.724749 hours remaining, 239.835938 MB of memory in use. ENERGY: 4169800 3995.0888 20464.2879 14418.1461 245.7749 -204103.6858 2818.1602 0.0000 0.0000 52134.3237 -110027.9042 299.6167 -162162.2279 -109668.0046 298.3307 77.6748 118.8857 759008.9781 -11.5740 -11.4964 PRESSURE: 4170000 -431.13 181.16 70.2731 181.16 -330.138 -97.8056 70.2733 -97.8059 -223.204 GPRESSURE: 4170000 -334.843 135.055 107.367 26.423 -367.911 -151.554 47.2975 -93.2398 -190.396 PRESSAVG: 4170000 -15.9414 22.3397 -22.4413 22.3398 9.35853 14.1591 -22.4413 14.1591 -3.10012 GPRESSAVG: 4170000 -16.4824 19.5777 -24.1903 22.7728 9.50609 14.8273 -22.079 15.3714 -3.36914 TIMING: 4170000 CPU: 13237.1, 0.00313653/step Wall: 13237.1, 0.00313653/step, 0.723144 hours remaining, 239.835938 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: 4170000 4039.6214 20439.0085 14445.1694 254.7966 -203286.8745 2211.9708 0.0000 0.0000 51775.8643 -110120.4434 297.5566 -161896.3077 -109760.3573 298.1351 -328.1572 -297.7167 760774.0034 -3.2277 -3.4485 PRESSURE: 4170200 91.3495 -23.8248 158.972 -23.8247 182.796 245.145 158.972 245.145 16.6126 GPRESSURE: 4170200 40.6268 0.721455 132.315 26.2867 266.694 211.941 124.715 34.0506 62.5524 PRESSAVG: 4170200 8.52773 -48.0245 -5.02255 -48.0245 -11.5915 18.5499 -5.02258 18.5499 8.60269 GPRESSAVG: 4170200 8.472 -46.4407 -7.20532 -48.7306 -11.9632 18.7504 -3.74389 17.2243 8.64914 TIMING: 4170200 CPU: 13237.7, 0.00313272/step Wall: 13237.7, 0.00313272/step, 0.722092 hours remaining, 239.835938 MB of memory in use. ENERGY: 4170200 3958.1964 20692.5854 14417.8692 244.7065 -203340.4028 2317.3231 0.0000 0.0000 51826.8343 -109882.8879 297.8495 -161709.7221 -109529.3770 298.0992 96.9195 123.2912 760577.6757 1.8463 1.7193 PRESSURE: 4170400 -369.653 -187.632 -90.4972 -187.632 -171.113 271.624 -90.497 271.624 183.954 GPRESSURE: 4170400 -384.006 -210.362 -88.6894 -167.654 -28.5889 225.783 -11.2272 111.569 133.852 PRESSAVG: 4170400 -17.3223 3.29716 8.70733 3.29713 16.5584 20.0061 8.70736 20.0062 8.45987 GPRESSAVG: 4170400 -17.5785 4.95498 10.4599 5.38923 16.5281 18.3049 7.40645 20.5574 8.64492 TIMING: 4170400 CPU: 13238.4, 0.00313426/step Wall: 13238.4, 0.00313426/step, 0.722272 hours remaining, 239.835938 MB of memory in use. ENERGY: 4170400 3976.9452 20597.0153 14507.4216 241.3788 -203468.2222 2593.9292 0.0000 0.0000 52158.7615 -109392.7706 299.7571 -161551.5321 -109030.1907 298.9829 -118.9371 -92.9142 760334.7388 2.5653 2.5315 PRESSURE: 4170600 -163.081 -130.93 -12.306 -130.928 178.866 18.1139 -12.3064 18.1143 -164.261 GPRESSURE: 4170600 -137.067 -193.602 -3.45745 -52.3073 205.622 98.2939 43.4488 -98.3767 -137.142 PRESSAVG: 4170600 10.5352 -20.7241 -3.04806 -20.7241 -19.9671 -39.2406 -3.0481 -39.2407 11.9696 GPRESSAVG: 4170600 9.15759 -22.2269 -3.88984 -22.5147 -18.5312 -36.2761 -3.53072 -38.0556 11.7882 TIMING: 4170600 CPU: 13239, 0.00311643/step Wall: 13239, 0.00311643/step, 0.71799 hours remaining, 239.835938 MB of memory in use. ENERGY: 4170600 3989.3564 20576.6346 14456.7616 243.2456 -203794.0257 2693.0388 0.0000 0.0000 52259.4871 -109575.5016 300.3360 -161834.9887 -109211.3186 299.5440 -49.4920 -22.8624 760466.9030 0.8459 0.8049 PRESSURE: 4170800 -176.223 153.028 318.419 153.028 -146.861 -128.367 318.418 -128.367 184.882 GPRESSURE: 4170800 -64.6018 183.988 371.478 68.0891 -160.252 -148.21 296.948 -91.1807 176.061 PRESSAVG: 4170800 43.2014 -8.90646 -10.1398 -8.90649 -31.51 28.2445 -10.1398 28.2444 25.8797 GPRESSAVG: 4170800 45.4865 -8.55325 -8.9957 -9.20627 -33.1057 25.6013 -10.1647 28.0884 24.5626 TIMING: 4170800 CPU: 13239.6, 0.00311892/step Wall: 13239.6, 0.00311892/step, 0.718392 hours remaining, 239.835938 MB of memory in use. ENERGY: 4170800 4088.8669 20485.0774 14315.1817 259.2295 -203566.1099 2475.0829 0.0000 0.0000 52029.3670 -109913.3045 299.0135 -161942.6715 -109554.5835 299.2466 -46.0673 -16.2643 761000.1894 12.5237 12.3145 PRESSURE: 4171000 -166.126 -58.7183 142.29 -58.7186 -2.86674 150.622 142.291 150.622 -158.624 GPRESSURE: 4171000 -109.852 -123.73 165.565 11.245 -6.77119 161.086 84.3518 116.792 -128.96 PRESSAVG: 4171000 21.1761 -11.2384 22.648 -11.2384 17.9726 -10.5361 22.648 -10.5361 -0.0228709 GPRESSAVG: 4171000 20.872 -9.12392 22.297 -10.2731 17.8949 -9.24634 23.2109 -11.5234 0.175504 TIMING: 4171000 CPU: 13240.2, 0.00310819/step Wall: 13240.2, 0.00310819/step, 0.715746 hours remaining, 239.835938 MB of memory in use. ENERGY: 4171000 4031.8521 20422.8540 14383.2152 252.1028 -203533.8877 2463.8115 0.0000 0.0000 51855.2414 -110124.8107 298.0128 -161980.0521 -109766.1271 298.5987 -109.2057 -81.8609 760789.7634 13.0419 12.9808 PRESSURE: 4171200 101.733 -109.46 -224.783 -109.459 -153.664 -24.9137 -224.782 -24.9138 -184.297 GPRESSURE: 4171200 194.11 -172.404 -258.771 -38.0852 -184.569 -43.6356 -51.7822 -67.8529 -180.286 PRESSAVG: 4171200 40.5348 -47.4262 0.672509 -47.4262 0.302009 6.64183 0.672511 6.64189 -14.9028 GPRESSAVG: 4171200 39.0833 -45.7719 0.742132 -48.1599 0.847807 6.34446 -1.49733 6.2821 -14.0487 TIMING: 4171200 CPU: 13240.9, 0.00312779/step Wall: 13240.9, 0.00312779/step, 0.720087 hours remaining, 239.835938 MB of memory in use. ENERGY: 4171200 3991.9108 20478.2638 14435.3604 258.4397 -203930.9215 2552.6080 0.0000 0.0000 52248.0658 -109966.2730 300.2704 -162214.3389 -109600.4747 298.8125 -78.7426 -56.9151 760773.2439 8.6447 8.6275 PRESSURE: 4171400 -294.566 58.1137 248.547 58.1141 -285.64 -45.7871 248.547 -45.7869 -176.324 GPRESSURE: 4171400 -405.915 14.5113 255.321 -44.5199 -144.177 -37.026 112.651 31.2086 -120.013 PRESSAVG: 4171400 -21.7032 -0.159705 -44.1827 -0.159681 -30.516 11.763 -44.1827 11.763 5.38841 GPRESSAVG: 4171400 -20.1344 -1.1304 -42.9384 -2.11913 -32.2807 12.7999 -44.4905 12.0847 5.75223 TIMING: 4171400 CPU: 13241.5, 0.00311677/step Wall: 13241.5, 0.00311677/step, 0.717377 hours remaining, 239.835938 MB of memory in use. ENERGY: 4171400 3978.8055 20453.1045 14344.5169 260.8280 -203303.4038 2448.4387 0.0000 0.0000 51883.0817 -109934.6284 298.1728 -161817.7101 -109564.1224 298.6154 -252.1768 -223.3683 761245.0235 -15.6103 -15.5543 PRESSURE: 4171600 74.7175 -29.7367 -44.5367 -29.7366 -51.0134 -46.2494 -44.5371 -46.2498 -8.82958 GPRESSURE: 4171600 -9.63298 -39.1039 29.4179 145.967 1.6474 -36.0243 -59.7338 66.2463 123.446 PRESSAVG: 4171600 71.3888 4.55897 -51.5011 4.55897 -72.5441 -3.10491 -51.5011 -3.10492 -1.5416 GPRESSAVG: 4171600 70.6152 3.72031 -52.6201 7.50622 -72.4185 -3.26635 -50.4715 -2.82289 -1.05669 TIMING: 4171600 CPU: 13242.1, 0.00314455/step Wall: 13242.1, 0.00314455/step, 0.723596 hours remaining, 239.835938 MB of memory in use. ENERGY: 4171600 3991.6848 20610.7481 14494.5646 248.0683 -203317.2876 2358.8068 0.0000 0.0000 51725.1513 -109888.2637 297.2652 -161613.4151 -109530.1309 298.7204 4.9582 38.4869 760021.4247 -0.8990 -0.9533 PRESSURE: 4171800 2.27232 126.53 55.542 126.531 -87.1085 1.40312 55.5421 1.40227 347.488 GPRESSURE: 4171800 71.8641 321.9 29.0871 6.55722 -53.3978 -81.963 116.092 -89.7606 335.336 PRESSAVG: 4171800 17.7449 26.1069 -39.4534 26.1069 -67.2609 30.6586 -39.4534 30.6586 14.4321 GPRESSAVG: 4171800 17.366 26.3918 -39.8768 26.2188 -66.4516 31.208 -37.4191 26.52 14.2113 TIMING: 4171800 CPU: 13242.7, 0.00315788/step Wall: 13242.7, 0.00315788/step, 0.726488 hours remaining, 239.835938 MB of memory in use. ENERGY: 4171800 3938.0484 20386.8268 14424.2234 259.5379 -203407.4585 2452.5974 0.0000 0.0000 52024.9018 -109921.3227 298.9878 -161946.2246 -109551.7650 298.8484 87.5505 117.9342 759554.3570 -11.6946 -11.6248 PRESSURE: 4172000 234.353 -83.4674 -8.00676 -83.4676 -95.0587 -93.6851 -8.00704 -93.6833 329.215 GPRESSURE: 4172000 213.511 -105.23 -98.6493 -36.4059 -39.5909 -125.686 -42.8483 -0.44472 385.297 PRESSAVG: 4172000 23.701 -28.2197 -15.2508 -28.2196 -15.0963 -31.0277 -15.2508 -31.0277 -13.289 GPRESSAVG: 4172000 24.2718 -29.9991 -16.0167 -28.5871 -14.6397 -30.7278 -16.3764 -27.7574 -14.0918 TIMING: 4172000 CPU: 13243.4, 0.00314163/step Wall: 13243.4, 0.00314163/step, 0.722574 hours remaining, 239.835938 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: 4172000 3968.3172 20405.8658 14359.7808 259.1492 -203691.9090 2509.5412 0.0000 0.0000 52037.3280 -110151.9266 299.0592 -162189.2547 -109775.1247 298.7905 156.1699 186.4057 759512.0885 -1.5614 -1.4866 PRESSURE: 4172200 -187.703 -14.1537 -325.264 -14.1528 -570.303 -89.0648 -325.262 -89.0645 -93.7318 GPRESSURE: 4172200 -187.903 87.3616 -271.601 -3.62339 -476.755 -99.8178 -293.319 -6.2325 -106.151 PRESSAVG: 4172200 -62.6158 -23.4614 -61.263 -23.4615 32.7878 -9.74581 -61.263 -9.74584 10.4877 GPRESSAVG: 4172200 -63.429 -22.4478 -58.747 -23.4091 34.3392 -10.7864 -61.6391 -9.40459 9.75219 TIMING: 4172200 CPU: 13244, 0.00314851/step Wall: 13244, 0.00314851/step, 0.723981 hours remaining, 239.835938 MB of memory in use. ENERGY: 4172200 4020.2748 20407.9605 14422.0235 250.8556 -204213.6040 2703.5398 0.0000 0.0000 52154.7349 -110254.2149 299.7340 -162408.9498 -109888.6322 298.3400 -283.9128 -256.9361 760984.1918 -6.4468 -6.4459 LDB: ============= START OF LOAD BALANCING ============== 13256.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13256.4 LDB: =============== DONE WITH MIGRATION ================ 13256.4 LDB: ============= START OF LOAD BALANCING ============== 13256.8 LDB: Largest compute 7056 load 0.036426 is 18.6% of average load 0.195369 LDB: Average compute 0.004423 is 2.3% of average load 0.195369 LDB: TIME 13256.8 LOAD: AVG 0.195369 MAX 0.2162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 13256.8 LOAD: AVG 0.195369 MAX 0.2162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 13256.8 LOAD: AVG 0.195369 MAX 0.2162 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 13256.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13256.8 PRESSURE: 4172400 -223.847 91.0418 -80.7347 91.0424 338.914 23.4455 -80.7345 23.4462 270.019 GPRESSURE: 4172400 -104.935 26.7958 -84.244 132.746 391.373 -80.2029 73.2762 -46.6635 170.643 PRESSAVG: 4172400 -71.9997 -21.658 -25.0913 -21.658 81.7636 7.92547 -25.0913 7.92546 8.9813 GPRESSAVG: 4172400 -69.4794 -23.239 -26.0257 -21.9346 79.2451 7.26713 -26.7983 7.97368 9.51518 TIMING: 4172400 CPU: 13244.6, 0.00320158/step Wall: 13244.6, 0.00320158/step, 0.736008 hours remaining, 239.324219 MB of memory in use. ENERGY: 4172400 3959.7398 20542.0859 14455.8292 231.7619 -203920.0196 2607.7528 0.0000 0.0000 51863.4614 -110259.3887 298.0600 -162122.8501 -109909.6488 297.9982 128.3620 152.3602 758380.3056 6.2484 6.4269 PRESSURE: 4172600 51.4354 235.096 95.3118 235.097 311.852 -92.0331 95.312 -92.0326 58.8181 GPRESSURE: 4172600 59.813 168.054 15.1201 229.693 279.543 -85.2229 114.678 -124.343 126.265 PRESSAVG: 4172600 46.1163 35.1268 -18.8705 35.1268 -96.8344 -31.9968 -18.8704 -31.9968 -2.74566 GPRESSAVG: 4172600 44.0821 35.9217 -19.3674 35.3853 -96.6219 -30.6795 -17.0367 -29.9962 -1.43989 TIMING: 4172600 CPU: 13245.3, 0.00312017/step Wall: 13245.3, 0.00312017/step, 0.717118 hours remaining, 239.527344 MB of memory in use. ENERGY: 4172600 4010.4874 20612.3431 14460.1006 237.8711 -203540.6501 2598.4655 0.0000 0.0000 51620.3817 -110001.0007 296.6630 -161621.3823 -109655.7614 298.3621 140.7018 155.2071 760074.2200 -17.8213 -17.9932 PRESSURE: 4172800 120.723 109.194 -156.455 109.193 232.722 134.995 -156.455 134.996 111.514 GPRESSURE: 4172800 128.245 -40.9465 -160.068 -24.951 333.171 157.077 -203.408 41.3139 83.1772 PRESSAVG: 4172800 -10.6633 13.673 -32.5406 13.6731 47.4001 18.9574 -32.5407 18.9574 1.5662 GPRESSAVG: 4172800 -9.54453 13.5195 -31.4023 13.5426 47.2635 18.2474 -35.1541 17.5269 0.9465 TIMING: 4172800 CPU: 13245.9, 0.00315102/step Wall: 13245.9, 0.00315102/step, 0.724035 hours remaining, 239.527344 MB of memory in use. ENERGY: 4172800 4030.6798 20632.6824 14502.3199 243.9182 -203606.3587 2478.4109 0.0000 0.0000 51943.5270 -109774.8206 298.5202 -161718.3476 -109410.0409 299.2568 154.9864 181.5312 759611.7188 12.7677 12.8885 PRESSURE: 4173000 109.731 -72.3576 -22.6394 -72.3576 -248.369 18.891 -22.6392 18.8918 -103.949 GPRESSURE: 4173000 71.3643 -86.5801 -23.08 -34.9515 -171.638 -15.113 -90.2232 40.2784 -62.3227 PRESSAVG: 4173000 0.450883 31.6872 -18.7496 31.6872 39.4085 22.5656 -18.7496 22.5655 3.52323 GPRESSAVG: 4173000 0.217912 32.4268 -19.0512 32.2175 39.8693 22.8368 -17.558 19.8423 3.55311 TIMING: 4173000 CPU: 13246.5, 0.00315123/step Wall: 13246.5, 0.00315123/step, 0.723907 hours remaining, 239.527344 MB of memory in use. ENERGY: 4173000 3999.8860 20486.6772 14401.5347 239.6015 -203214.7739 2255.7179 0.0000 0.0000 51961.2102 -109870.1465 298.6218 -161831.3567 -109500.2171 298.9456 -80.8623 -54.1987 759305.5983 14.4609 14.5468 PRESSURE: 4173200 -136.564 -163.158 159.297 -163.159 -95.9675 -162.145 159.297 -162.145 -186.467 GPRESSURE: 4173200 -52.7391 -137.747 139.357 -183.128 -37.0881 -125.732 104.398 -78.5741 -242.95 PRESSAVG: 4173200 17.3964 5.39395 -36.8952 5.3939 -20.8958 -6.05191 -36.8951 -6.0519 -30.5612 GPRESSAVG: 4173200 17.5376 5.10906 -38.7635 5.4953 -20.8458 -5.40755 -37.4972 -2.76724 -30.6327 TIMING: 4173200 CPU: 13247.1, 0.00314084/step Wall: 13247.1, 0.00314084/step, 0.721346 hours remaining, 239.527344 MB of memory in use. ENERGY: 4173200 4006.7929 20697.9378 14425.6792 254.2448 -203390.3100 2450.3604 0.0000 0.0000 51655.8053 -109899.4895 296.8666 -161555.2949 -109546.3787 298.7782 -139.6661 -110.9259 761410.5476 -11.3535 -11.3137 PRESSURE: 4173400 48.232 111.624 -84.7034 111.624 375.719 -301.672 -84.7034 -301.673 71.65 GPRESSURE: 4173400 85.4245 64.533 -73.2007 94.0386 398.24 -326.457 46.2389 -270.446 99.4454 PRESSAVG: 4173400 -10.4295 -10.9991 -44.3213 -10.9991 4.10116 1.86537 -44.3214 1.86533 2.14054 GPRESSAVG: 4173400 -11.1146 -10.3841 -42.7704 -10.8105 4.48824 3.03377 -44.9967 0.469953 2.70163 TIMING: 4173400 CPU: 13247.8, 0.00314154/step Wall: 13247.8, 0.00314154/step, 0.721333 hours remaining, 239.527344 MB of memory in use. ENERGY: 4173400 3991.6652 20516.5029 14411.5228 250.9778 -204109.7185 2889.6458 0.0000 0.0000 51917.3439 -110132.0601 298.3697 -162049.4040 -109769.5601 299.0634 165.2003 194.3700 758915.2098 -1.3959 -1.3083 PRESSURE: 4173600 29.4918 -140.753 -170.426 -140.753 163.777 271.615 -170.426 271.615 208.053 GPRESSURE: 4173600 7.53934 -164.788 -53.1359 -79.6424 213.326 277.127 -171.32 276.509 276.586 PRESSAVG: 4173600 20.4513 -31.2119 -30.4532 -31.2119 19.2701 -4.47217 -30.4532 -4.47221 -0.0227228 GPRESSAVG: 4173600 21.1673 -33.6038 -29.8227 -31.8973 18.0784 -5.62959 -29.6544 -3.63566 0.816866 TIMING: 4173600 CPU: 13248.4, 0.00313872/step Wall: 13248.4, 0.00313872/step, 0.720509 hours remaining, 239.527344 MB of memory in use. ENERGY: 4173600 4032.3251 20414.9395 14458.6554 244.2162 -203757.2079 2592.5520 0.0000 0.0000 51979.1687 -110035.3510 298.7250 -162014.5198 -109676.9329 298.7296 133.7738 165.8169 759797.8645 13.2329 13.3542 PRESSURE: 4173800 169.477 -185.741 -49.0755 -185.741 -547.453 50.8901 -49.0755 50.89 163.565 GPRESSURE: 4173800 76.3923 -157.97 39.4751 -98.1925 -411.607 -22.4761 -33.105 94.3109 218.861 PRESSAVG: 4173800 -1.87218 -26.0809 -34.1135 -26.0809 10.2211 19.1756 -34.1134 19.1756 -5.43939 GPRESSAVG: 4173800 -2.76894 -23.7458 -34.473 -26.3584 11.2782 18.6876 -32.5442 19.0729 -5.67917 TIMING: 4173800 CPU: 13249, 0.00318427/step Wall: 13249, 0.00318427/step, 0.73079 hours remaining, 239.527344 MB of memory in use. ENERGY: 4173800 3959.2897 20446.3120 14421.5833 250.2719 -203478.1475 2466.4336 0.0000 0.0000 51786.6334 -110147.6237 297.6185 -161934.2571 -109797.0038 298.1291 -71.4701 -38.7844 760041.9820 0.9699 0.9434 PRESSURE: 4174000 108.791 72.786 -72.2893 72.7854 66.5238 4.74823 -72.2885 4.74798 -101.954 GPRESSURE: 4174000 112.57 -14.8236 20.2095 -98.1091 109.269 -16.1612 -197.403 62.3684 -74.2051 PRESSAVG: 4174000 -36.8751 -57.6896 -33.7118 -57.6896 49.6771 4.63256 -33.7118 4.6325 -21.2817 GPRESSAVG: 4174000 -37.01 -59.6091 -33.3385 -57.6264 50.5178 3.91632 -34.8706 5.0554 -21.3273 TIMING: 4174000 CPU: 13249.7, 0.00317734/step Wall: 13249.7, 0.00317733/step, 0.729022 hours remaining, 239.527344 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: 4174000 3900.7501 20383.8168 14443.8175 249.4405 -203638.2063 2518.4511 0.0000 0.0000 51904.6229 -110237.3074 298.2966 -162141.9303 -109869.0530 298.5111 24.4534 49.2113 759907.9187 -2.8266 -2.6065 PRESSURE: 4174200 135.38 -71.7436 51.6118 -71.7434 421.488 63.4975 51.6107 63.4983 124.812 GPRESSURE: 4174200 195.132 -83.3892 128.794 -81.6833 366.98 -9.40712 117.325 171.096 207.154 PRESSAVG: 4174200 -14.7957 -79.5986 -83.4476 -79.5986 27.4275 10.6347 -83.4476 10.6348 -7.97436 GPRESSAVG: 4174200 -13.6845 -79.7635 -83.1446 -80.1672 25.3276 12.8629 -83.7037 10.3121 -6.89206 TIMING: 4174200 CPU: 13250.3, 0.0031559/step Wall: 13250.3, 0.0031559/step, 0.723928 hours remaining, 239.527344 MB of memory in use. ENERGY: 4174200 4036.2219 20318.6119 14378.4180 245.3096 -203979.6175 2691.6714 0.0000 0.0000 51986.4402 -110322.9445 298.7668 -162309.3847 -109961.9783 298.1179 227.2265 256.4218 758758.2758 1.5525 1.5837 PRESSURE: 4174400 -188.003 -15.7446 272.178 -15.7453 -135.785 76.4139 272.178 76.4144 -225.159 GPRESSURE: 4174400 -83.7564 -101.397 276.326 100.29 -145.595 148.796 180.468 -16.1394 -232.209 PRESSAVG: 4174400 40.1356 -43.3525 9.53782 -43.3525 -0.801389 5.26435 9.53783 5.26431 21.1288 GPRESSAVG: 4174400 41.1707 -41.7468 9.3109 -42.1741 -1.1313 4.07589 10.1946 6.03194 20.0424 TIMING: 4174400 CPU: 13250.9, 0.00315384/step Wall: 13250.9, 0.00315384/step, 0.72328 hours remaining, 239.527344 MB of memory in use. ENERGY: 4174400 3976.4236 20483.0854 14382.5435 241.9780 -203429.5056 2424.6343 0.0000 0.0000 51719.5441 -110201.2967 297.2329 -161920.8407 -109841.8498 297.9094 -182.9822 -153.8533 761867.8669 20.1544 20.0273 PRESSURE: 4174600 -393.55 -146.832 -295.546 -146.833 -358.452 6.64975 -295.544 6.64888 -271.554 GPRESSURE: 4174600 -422.463 -124.208 -240.184 -151.944 -249.617 47.1551 -277.153 -38.176 -248.353 PRESSAVG: 4174600 11.6079 -5.82348 -13.5955 -5.82346 -7.51534 6.62469 -13.5956 6.62468 23.8312 GPRESSAVG: 4174600 10.6451 -6.45711 -13.8841 -6.59944 -6.30258 5.82705 -12.9323 6.40106 23.6964 TIMING: 4174600 CPU: 13251.6, 0.00315924/step Wall: 13251.6, 0.00315924/step, 0.724344 hours remaining, 239.527344 MB of memory in use. ENERGY: 4174600 4037.3833 20273.2997 14382.2730 241.3305 -203635.4705 2368.3887 0.0000 0.0000 52079.9242 -110252.8712 299.3040 -162332.7954 -109881.7823 298.3769 -341.1854 -306.8110 761133.3973 9.3079 9.3463 PRESSURE: 4174800 329.965 49.921 239.262 49.9206 195.43 -112.833 239.263 -112.833 -121.54 GPRESSURE: 4174800 332.524 8.5584 248.098 -33.3037 236.107 -143.132 131.12 4.49471 -80.2244 PRESSAVG: 4174800 -9.09138 -14.9012 8.18202 -14.9013 6.92113 9.04542 8.18204 9.04547 -18.2535 GPRESSAVG: 4174800 -9.66583 -15.0528 7.29084 -15.9557 7.25462 10.2593 7.41644 9.32744 -18.1053 TIMING: 4174800 CPU: 13252.2, 0.0031618/step Wall: 13252.2, 0.0031618/step, 0.724754 hours remaining, 239.527344 MB of memory in use. ENERGY: 4174800 3905.8352 20442.5743 14365.1815 257.2501 -204010.4224 2726.3192 0.0000 0.0000 52112.8770 -110200.3853 299.4934 -162313.2622 -109839.5685 298.0259 134.6185 162.8023 760920.6211 -6.8079 -6.8388 PRESSURE: 4175000 63.1652 55.0135 -18.5664 55.0138 63.6202 183.289 -18.5653 183.288 -18.1644 GPRESSURE: 4175000 36.2376 27.6355 32.7155 -33.3208 53.3484 163.293 -85.9457 104.475 78.4758 PRESSAVG: 4175000 -65.7945 4.99636 23.1958 4.99636 76.6536 53.269 23.1958 53.269 -19.1153 GPRESSAVG: 4175000 -63.7649 5.00529 23.4119 6.06672 76.4271 52.9117 22.5526 53.7762 -19.9532 TIMING: 4175000 CPU: 13252.8, 0.00316602/step Wall: 13252.8, 0.00316602/step, 0.725547 hours remaining, 239.527344 MB of memory in use. ENERGY: 4175000 3885.5136 20500.6887 14365.3706 251.0878 -203534.7326 2493.4161 0.0000 0.0000 51909.0428 -110129.6129 298.3220 -162038.6557 -109767.8326 298.6917 36.2070 56.0206 761373.8750 -2.7521 -2.4303 PRESSURE: 4175200 -499 105.571 -218.416 105.571 -16.2139 205.126 -218.415 205.128 -96.9499 GPRESSURE: 4175200 -479.54 8.99541 -237.204 -3.6152 -3.74105 184.306 -167.214 77.9653 -56.4856 PRESSAVG: 4175200 -104.586 -21.7031 -1.6778 -21.7031 73.9949 14.2821 -1.67774 14.2821 -6.87478 GPRESSAVG: 4175200 -105.305 -22.6006 -0.515398 -21.5884 73.8147 13.5829 -1.9238 14.4653 -5.95139 TIMING: 4175200 CPU: 13253.5, 0.00317509/step Wall: 13253.5, 0.00317509/step, 0.727448 hours remaining, 239.527344 MB of memory in use. ENERGY: 4175200 4061.1009 20564.2511 14342.3591 243.0424 -203902.7128 2584.5296 0.0000 0.0000 51912.9767 -110194.4530 298.3446 -162107.4297 -109848.4020 298.4878 -204.0546 -179.9222 761432.1411 -12.4886 -12.4805 PRESSURE: 4175400 178.435 -75.9585 124.338 -75.9589 466.777 134.413 124.339 134.413 44.0357 GPRESSURE: 4175400 280.39 54.8564 79.6201 31.7772 459.914 196.05 152.994 117.774 51.9321 PRESSAVG: 4175400 -17.4793 11.6524 -13.9747 11.6524 16.0045 -49.5993 -13.9748 -49.5992 4.07744 GPRESSAVG: 4175400 -18.1053 13.3691 -15.1847 10.9274 16.5559 -49.616 -10.3202 -50.5794 3.67346 TIMING: 4175400 CPU: 13254.1, 0.0031528/step Wall: 13254.1, 0.0031528/step, 0.722167 hours remaining, 239.527344 MB of memory in use. ENERGY: 4175400 3951.5450 20355.5146 14453.5316 253.5883 -204012.1948 2863.0590 0.0000 0.0000 51760.7825 -110374.1737 297.4699 -162134.9562 -110016.1802 297.7713 229.7490 264.0785 758684.4306 0.8676 0.7080 PRESSURE: 4175600 16.8848 146.149 212.749 146.15 -234.373 157.966 212.75 157.966 120.199 GPRESSURE: 4175600 13.2375 77.0116 167.16 -31.3591 -155.634 60.5462 67.4234 122.776 143.159 PRESSAVG: 4175600 -64.3125 53.1162 31.0531 53.1163 36.9712 -33.8866 31.0531 -33.8866 9.18281 GPRESSAVG: 4175600 -63.5063 53.9234 29.8392 52.1874 36.7423 -33.9154 29.7196 -34.2305 8.74616 TIMING: 4175600 CPU: 13254.7, 0.00317234/step Wall: 13254.7, 0.00317234/step, 0.726467 hours remaining, 239.527344 MB of memory in use. ENERGY: 4175600 3982.8895 20430.3291 14414.9321 234.0336 -204010.8023 2755.8435 0.0000 0.0000 51853.4396 -110339.3349 298.0024 -162192.7745 -109984.2373 297.7454 -32.4297 0.2540 760996.5062 -6.0528 -6.0059 PRESSURE: 4175800 -209.291 41.4342 -3.8815 41.434 -143.185 -18.0264 -3.88254 -18.0258 -130.826 GPRESSURE: 4175800 -193.777 27.5956 25.7345 70.6742 -44.0006 45.7106 -98.1893 67.5593 -142.586 PRESSAVG: 4175800 -21.2061 17.1217 7.80088 17.1217 12.5928 7.21118 7.80088 7.21119 6.88012 GPRESSAVG: 4175800 -22.0245 17.9998 8.13961 17.92 11.9592 7.02219 8.29302 8.35711 8.19423 TIMING: 4175800 CPU: 13255.4, 0.00319915/step Wall: 13255.4, 0.00319915/step, 0.732427 hours remaining, 239.527344 MB of memory in use. ENERGY: 4175800 3970.5102 20330.8691 14357.9763 251.3465 -203544.4849 2414.8614 0.0000 0.0000 51921.1972 -110297.7242 298.3918 -162218.9215 -109933.3300 298.0006 -161.1008 -126.7877 760121.4911 -0.5778 -0.6237 PRESSURE: 4176000 -64.4522 200.343 -67.0903 200.343 65.3807 -80.8151 -67.09 -80.8148 352.856 GPRESSURE: 4176000 113.324 210.368 -51.2237 1.54783 -34.3419 -23.8216 28.4115 -118.379 354.393 PRESSAVG: 4176000 -28.7655 -11.2898 -20.4844 -11.2899 -4.7368 23.1848 -20.4844 23.1848 3.97475 GPRESSAVG: 4176000 -28.1895 -14.2471 -20.2152 -10.9111 -4.1216 22.3638 -19.9443 25.8187 2.96552 TIMING: 4176000 CPU: 13256, 0.00315793/step Wall: 13256, 0.00315793/step, 0.722816 hours remaining, 239.527344 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: 4176000 3995.2021 20250.4820 14355.9065 238.9629 -203852.2580 2784.3035 0.0000 0.0000 51870.3312 -110357.0697 298.0995 -162227.4009 -110005.7751 298.1425 117.9281 144.4584 759399.3323 -9.8425 -9.7819 PRESSURE: 4176200 -70.4751 -277.94 44.2439 -277.939 23.8563 60.096 44.244 60.0954 2.25959 GPRESSURE: 4176200 -92.2509 -310.58 6.22907 -183.737 143.407 16.2343 43.8871 109.377 -11.8362 PRESSAVG: 4176200 -66.0338 7.97253 26.2022 7.9725 83.7202 -10.1318 26.2021 -10.1317 3.22921 GPRESSAVG: 4176200 -66.3214 9.43334 25.4745 6.39363 84.5032 -7.28324 26.6719 -13.7778 2.70936 TIMING: 4176200 CPU: 13256.6, 0.00314826/step Wall: 13256.6, 0.00314826/step, 0.720427 hours remaining, 239.527344 MB of memory in use. ENERGY: 4176200 4010.6867 20475.8254 14386.9534 223.9309 -204063.6487 2796.5514 0.0000 0.0000 51903.8825 -110265.8185 298.2923 -162169.7009 -109906.1710 298.0407 -14.7864 13.1065 760415.0841 6.9719 6.9637 LDB: ============= START OF LOAD BALANCING ============== 13269.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13269.1 LDB: =============== DONE WITH MIGRATION ================ 13269.1 LDB: ============= START OF LOAD BALANCING ============== 13269.4 LDB: Largest compute 7056 load 0.037974 is 19.4% of average load 0.195419 LDB: Average compute 0.004433 is 2.3% of average load 0.195419 LDB: TIME 13269.4 LOAD: AVG 0.195419 MAX 0.215022 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 13269.4 LOAD: AVG 0.195419 MAX 0.215022 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 13269.4 LOAD: AVG 0.195419 MAX 0.215022 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 13269.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13269.4 PRESSURE: 4176400 99.3963 -114.554 106.684 -114.553 -102.044 194.446 106.685 194.447 296.807 GPRESSURE: 4176400 161.241 -104.864 101.388 17.3212 -71.5815 156.918 180.101 205.777 296.881 PRESSAVG: 4176400 7.594 5.15399 -38.7871 5.15398 40.4616 16.4063 -38.7872 16.4062 5.7755 GPRESSAVG: 4176400 7.71672 3.44238 -37.7177 8.15195 39.8521 16.9597 -41.8064 16.1328 6.71646 TIMING: 4176400 CPU: 13257.3, 0.00322399/step Wall: 13257.3, 0.00322399/step, 0.737577 hours remaining, 240.609375 MB of memory in use. ENERGY: 4176400 3933.1841 20331.3222 14454.8047 229.6481 -203688.3023 2558.7473 0.0000 0.0000 52173.2622 -110007.3336 299.8405 -162180.5959 -109651.1550 298.3063 98.0532 128.8469 758177.6102 17.9437 18.0951 PRESSURE: 4176600 -127.003 5.5366 -139.436 5.53641 267.463 301.457 -139.436 301.457 -456.785 GPRESSURE: 4176600 -85.5012 -17.3992 -85.9263 -57.8991 230.741 230.344 -95.2796 370.652 -385.381 PRESSAVG: 4176600 -19.7981 -9.79797 -18.3528 -9.798 23.9551 45.3988 -18.3528 45.3986 3.71569 GPRESSAVG: 4176600 -19.1181 -7.24373 -16.6194 -12.0677 23.3148 43.1681 -17.0174 46.3904 3.83904 TIMING: 4176600 CPU: 13257.9, 0.00316988/step Wall: 13257.9, 0.00316988/step, 0.725022 hours remaining, 240.812500 MB of memory in use. ENERGY: 4176600 4064.9272 20423.7606 14453.9582 240.7789 -203411.5166 2153.4979 0.0000 0.0000 52187.4603 -109887.1336 299.9221 -162074.5938 -109523.9074 299.2514 -105.4415 -80.0471 757626.0259 2.6242 2.6786 PRESSURE: 4176800 -46.9529 -74.9926 142.496 -74.993 -39.3505 -81.21 142.495 -81.2108 -163.207 GPRESSURE: 4176800 13.4428 -98.708 107.437 -53.3943 -7.08444 -56.7147 157.998 -88.0798 -171.463 PRESSAVG: 4176800 -26.6013 22.6501 -46.891 22.6501 12.2746 -5.36179 -46.891 -5.3618 -26.0154 GPRESSAVG: 4176800 -26.8872 19.0512 -49.4919 23.6994 13.1376 -4.70124 -46.4113 -5.91527 -27.0425 TIMING: 4176800 CPU: 13258.6, 0.00317923/step Wall: 13258.6, 0.00317923/step, 0.726984 hours remaining, 240.812500 MB of memory in use. ENERGY: 4176800 3938.6864 20532.5982 14410.5432 239.3178 -203926.1134 2631.5335 0.0000 0.0000 52298.6245 -109874.8097 300.5609 -162173.4342 -109515.5720 299.3539 -83.1702 -55.0349 758685.6472 -13.4474 -13.5974 PRESSURE: 4177000 -2.83946 134.698 -7.61278 134.697 75.6954 137.497 -7.61157 137.498 665.205 GPRESSURE: 4177000 96.2207 36.1998 -8.69816 348.097 116.885 181.273 -133.598 56.5023 612.475 PRESSAVG: 4177000 23.5001 0.660383 20.114 0.660396 -5.88103 28.7685 20.114 28.7684 10.4351 GPRESSAVG: 4177000 23.2821 -0.55028 20.6253 2.49482 -4.97898 28.3511 17.2549 28.2263 10.0051 TIMING: 4177000 CPU: 13259.2, 0.00319587/step Wall: 13259.2, 0.00319587/step, 0.730611 hours remaining, 240.812500 MB of memory in use. ENERGY: 4177000 3899.6172 20545.9041 14450.0956 241.6214 -203817.9078 2686.8610 0.0000 0.0000 52082.1394 -109911.6691 299.3168 -161993.8085 -109551.8297 299.0196 246.0204 275.1935 757448.6619 9.3514 9.4361 PRESSURE: 4177200 174.06 -123.533 -375.215 -123.534 -201.623 -87.2861 -375.214 -87.2859 -219.794 GPRESSURE: 4177200 149.74 -28.9031 -288.151 2.24065 -133.023 -106.475 -249.304 -83.5873 -182.605 PRESSAVG: 4177200 -28.9769 -14.3133 -53.0945 -14.3133 15.1712 73.5039 -53.0945 73.504 -11.9591 GPRESSAVG: 4177200 -29.1539 -12.735 -54.0707 -14.4013 13.9328 73.4829 -50.5493 75.0611 -10.5438 TIMING: 4177200 CPU: 13259.8, 0.00316555/step Wall: 13259.8, 0.00316555/step, 0.723504 hours remaining, 240.812500 MB of memory in use. ENERGY: 4177200 3967.1534 20570.0157 14491.8131 261.6633 -203649.9723 2390.2530 0.0000 0.0000 52177.8971 -109791.1767 299.8671 -161969.0738 -109432.9544 299.4943 -82.4524 -55.2962 759924.3404 -8.5883 -8.5883 PRESSURE: 4177400 -157.491 -146.84 60.3833 -146.84 231.904 -340.383 60.3839 -340.383 -220.107 GPRESSURE: 4177400 -138.623 -254.716 -3.70376 -201.493 240.218 -356.374 109.904 -285.008 -151.411 PRESSAVG: 4177400 24.0997 -37.4134 -77.6441 -37.4134 6.91403 -11.692 -77.6441 -11.6921 -2.7853 GPRESSAVG: 4177400 24.1481 -36.3271 -75.4271 -40.6752 8.49167 -11.405 -78.63 -13.0955 -4.2523 TIMING: 4177400 CPU: 13260.5, 0.00314635/step Wall: 13260.5, 0.00314635/step, 0.718941 hours remaining, 240.812500 MB of memory in use. ENERGY: 4177400 3861.8924 20523.0274 14426.7409 232.8247 -203676.8898 2418.6410 0.0000 0.0000 52412.8412 -109800.9221 301.2173 -162213.7633 -109428.4787 299.6237 -48.5650 -16.6053 759778.7724 9.4095 9.4625 PRESSURE: 4177600 -78.6442 -39.4654 -70.3968 -39.4661 -445.533 66.6607 -70.3966 66.6617 -648.674 GPRESSURE: 4177600 -36.7467 -128.205 -99.3425 -38.8916 -444.515 94.0905 -86.6022 85.1493 -619.055 PRESSAVG: 4177600 52.5697 -3.67165 -54.9001 -3.67169 -28.0561 -0.567482 -54.9001 -0.56751 -18.2061 GPRESSAVG: 4177600 52.3402 -4.68641 -54.597 -3.44825 -28.5599 1.22904 -55.3736 -0.0896115 -17.7636 TIMING: 4177600 CPU: 13261.1, 0.00312802/step Wall: 13261.1, 0.00312802/step, 0.714578 hours remaining, 240.812500 MB of memory in use. ENERGY: 4177600 4034.2593 20643.9710 14493.8768 251.8983 -203428.4285 2235.2750 0.0000 0.0000 51897.0384 -109872.1098 298.2530 -161769.1482 -109517.7609 299.3632 -390.9505 -366.7720 759401.0485 2.1025 2.0056 PRESSURE: 4177800 -140.659 133.383 230.427 133.384 92.4056 345.182 230.427 345.181 -88.4235 GPRESSURE: 4177800 -123.537 41.6094 193.152 83.7554 132.539 347.903 160.289 375.9 -71.6558 PRESSAVG: 4177800 31.4679 0.0324584 -45.2142 0.0324531 -24.798 14.9088 -45.2143 14.9088 -3.68521 GPRESSAVG: 4177800 32.7373 0.590369 -46.4432 1.8328 -25.9229 12.5263 -42.5419 15.7631 -3.46435 TIMING: 4177800 CPU: 13261.7, 0.0031468/step Wall: 13261.7, 0.0031468/step, 0.718694 hours remaining, 240.812500 MB of memory in use. ENERGY: 4177800 3977.8123 20542.8946 14453.3036 244.9329 -203271.9810 2603.6593 0.0000 0.0000 51776.9651 -109672.4132 297.5629 -161449.3783 -109320.6269 299.2165 -45.5588 -20.8847 760406.1619 0.9949 1.1167 PRESSURE: 4178000 31.8683 156.365 -159.606 156.365 242.362 81.5054 -159.606 81.5067 86.0176 GPRESSURE: 4178000 189.365 161.59 -92.1746 111.89 263.116 66.1648 -50.2028 107.939 -19.9761 PRESSAVG: 4178000 -4.841 -17.336 6.98938 -17.336 56.2087 16.7142 6.98936 16.7142 10.2373 GPRESSAVG: 4178000 -5.62979 -16.9773 7.31634 -18.6764 56.8911 16.2559 8.10521 16.3648 10.1086 TIMING: 4178000 CPU: 13262.3, 0.00315617/step Wall: 13262.3, 0.00315617/step, 0.720659 hours remaining, 240.812500 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: 4178000 4069.1137 20384.3070 14381.1575 266.6646 -203375.2334 2313.4768 0.0000 0.0000 52172.0929 -109788.4209 299.8337 -161960.5138 -109419.6334 299.5520 120.0827 144.1682 759527.2874 20.5350 20.4566 PRESSURE: 4178200 112.7 81.5179 -75.9339 81.518 242.938 -1.39516 -75.9332 -1.39485 207.153 GPRESSURE: 4178200 147.444 70.1818 -189.801 5.34734 241.236 33.9479 -11.7578 -103.547 269.506 PRESSAVG: 4178200 -5.21673 3.69388 -6.33284 3.69384 23.1648 24.0901 -6.3328 24.09 18.533 GPRESSAVG: 4178200 -4.60722 2.27896 -8.60421 4.69268 22.471 24.3687 -6.53874 22.653 18.0952 TIMING: 4178200 CPU: 13263, 0.00315211/step Wall: 13263, 0.00315211/step, 0.719556 hours remaining, 240.812500 MB of memory in use. ENERGY: 4178200 3966.1065 20307.5167 14411.3323 264.7104 -203565.9417 2653.9744 0.0000 0.0000 52100.7732 -109861.5281 299.4239 -161962.3014 -109503.1758 299.1687 187.5968 219.3953 757668.5478 12.1604 11.9863 PRESSURE: 4178400 -154.546 -244.693 158.006 -244.693 14.8409 -86.4679 158.006 -86.4685 -130.372 GPRESSURE: 4178400 -200.791 -142.807 23.4141 -175.651 122.227 -62.4577 80.7695 54.941 -97.0836 PRESSAVG: 4178400 14.3045 -55.1215 -46.7028 -55.1215 16.2663 3.88631 -46.7029 3.88627 -28.4018 GPRESSAVG: 4178400 13.391 -55.5908 -43.8832 -55.1924 17.5953 3.84423 -48.1782 4.20438 -28.426 TIMING: 4178400 CPU: 13263.6, 0.00315938/step Wall: 13263.6, 0.00315938/step, 0.721041 hours remaining, 240.812500 MB of memory in use. ENERGY: 4178400 4011.3957 20495.3972 14388.9309 266.2533 -203903.8635 2666.4880 0.0000 0.0000 52170.5497 -109904.8485 299.8249 -162075.3982 -109543.6054 299.3332 -90.0259 -58.5491 759464.5758 0.7230 0.8534 PRESSURE: 4178600 -49.5632 -51.1997 -209.111 -51.2001 96.0983 136.761 -209.111 136.76 289.122 GPRESSURE: 4178600 5.46281 -162.471 -237.525 -4.67949 125.448 129.483 -67.5362 86.019 284.274 PRESSAVG: 4178600 24.9353 38.3687 -33.9675 38.3687 -0.407407 46.7653 -33.9675 46.7653 13.0751 GPRESSAVG: 4178600 26.198 40.3227 -34.9592 37.4047 -1.47527 47.9714 -34.6177 46.072 13.1615 TIMING: 4178600 CPU: 13264.2, 0.00317027/step Wall: 13264.2, 0.00317027/step, 0.72335 hours remaining, 240.812500 MB of memory in use. ENERGY: 4178600 3992.0905 20576.5668 14393.8298 226.2001 -203604.3593 2439.1764 0.0000 0.0000 51960.6126 -110015.8830 298.6184 -161976.4956 -109662.9890 298.9056 111.8857 138.3950 759051.0669 12.5343 12.6281 PRESSURE: 4178800 -128.078 61.3882 244.71 61.3873 169.965 190.034 244.711 190.034 -181.806 GPRESSURE: 4178800 -23.3603 48.8208 214.022 165.447 142.59 219.432 186.625 190.385 -161.369 PRESSAVG: 4178800 -55.7419 38.2773 -26.7212 38.2773 12.7662 52.8355 -26.7212 52.8356 17.2028 GPRESSAVG: 4178800 -55.6013 38.0076 -26.526 38.9199 12.8141 52.0311 -27.1165 52.6063 16.777 TIMING: 4178800 CPU: 13264.9, 0.00315441/step Wall: 13264.9, 0.00315441/step, 0.719555 hours remaining, 240.812500 MB of memory in use. ENERGY: 4178800 4022.6966 20470.2889 14394.5977 252.0653 -203496.7299 2380.9790 0.0000 0.0000 52209.5136 -109766.5887 300.0488 -161976.1023 -109413.1866 298.6646 -46.6396 -14.0464 757691.7641 -8.5910 -8.6701 PRESSURE: 4179000 -334.427 -180.647 88.1097 -180.647 -283.696 -249.877 88.1089 -249.876 -26.635 GPRESSURE: 4179000 -227.895 -137.014 114.583 -213.607 -302.42 -177.953 93.6833 -208.13 -23.4919 PRESSAVG: 4179000 -30.3883 -15.5467 29.8209 -15.5467 22.5764 -3.03738 29.8209 -3.03744 -39.8977 GPRESSAVG: 4179000 -31.4214 -16.1883 29.7921 -15.8863 22.0495 -0.956411 30.3288 -3.46335 -38.4071 TIMING: 4179000 CPU: 13265.5, 0.00316666/step Wall: 13265.5, 0.00316666/step, 0.722175 hours remaining, 240.812500 MB of memory in use. ENERGY: 4179000 3949.4312 20571.9008 14421.1224 254.5671 -203398.5136 2515.9752 0.0000 0.0000 51979.5265 -109705.9905 298.7271 -161685.5169 -109333.6843 298.8144 -214.9195 -184.6021 759734.0517 -15.9032 -15.9263 PRESSURE: 4179200 26.3807 164.424 -319.54 164.424 -25.8568 188.79 -319.54 188.791 -160.46 GPRESSURE: 4179200 19.8039 227.81 -320.114 109.153 48.6204 186.232 -145.931 104.213 -138.457 PRESSAVG: 4179200 -41.0192 -22.051 8.0228 -22.051 53.7971 -36.888 8.02281 -36.8879 29.4133 GPRESSAVG: 4179200 -40.3916 -22.3349 9.21154 -22.4348 54.275 -38.756 9.72685 -35.9222 28.0495 TIMING: 4179200 CPU: 13266.1, 0.00316419/step Wall: 13266.1, 0.00316419/step, 0.721436 hours remaining, 240.812500 MB of memory in use. ENERGY: 4179200 3926.3809 20605.2957 14418.5017 248.6038 -203137.1937 2165.6086 0.0000 0.0000 52084.2469 -109688.5560 299.3289 -161772.8029 -109333.3355 299.3452 -53.3122 -23.3443 761053.0974 14.0637 13.9776 PRESSURE: 4179400 -150.445 380.318 219.703 380.317 245.7 -5.50391 219.703 -5.50382 -100.182 GPRESSURE: 4179400 -83.9445 280.924 261.415 213.926 207.894 -83.8914 129.752 -1.34525 -38.5605 PRESSAVG: 4179400 -51.2707 6.10767 -63.294 6.10769 90.6347 21.2589 -63.294 21.2588 -6.01189 GPRESSAVG: 4179400 -51.2593 7.28998 -64.9716 6.17942 90.5556 22.8059 -65.6324 19.4164 -5.95636 TIMING: 4179400 CPU: 13266.8, 0.00317013/step Wall: 13266.8, 0.00317013/step, 0.722613 hours remaining, 240.812500 MB of memory in use. ENERGY: 4179400 3989.1172 20491.8149 14408.9197 264.8133 -203320.5968 2566.5654 0.0000 0.0000 51807.5439 -109791.8223 297.7387 -161599.3662 -109437.0230 298.9976 -1.6424 28.4631 759259.7879 11.1174 11.1133 PRESSURE: 4179600 -239.699 -116.082 -43.8683 -116.083 -107.823 36.8378 -43.8693 36.8368 -659.286 GPRESSURE: 4179600 -187.165 -36.6668 -70.1571 -105.637 -95.2223 12.2645 -114.904 -36.5148 -641.919 PRESSAVG: 4179600 -51.6256 1.64359 -25.4297 1.64365 51.5185 27.8494 -25.4296 27.8495 9.59939 GPRESSAVG: 4179600 -51.567 -0.943255 -24.6056 4.28394 52.3114 23.691 -25.9013 29.9094 9.01669 TIMING: 4179600 CPU: 13267.4, 0.00315506/step Wall: 13267.4, 0.00315506/step, 0.719003 hours remaining, 240.812500 MB of memory in use. ENERGY: 4179600 4061.5567 20368.1902 14284.5714 270.4732 -203215.6153 2319.7881 0.0000 0.0000 52194.7426 -109716.2931 299.9639 -161911.0357 -109353.3603 298.7743 -335.6027 -308.1021 761502.6887 3.1641 3.2537 PRESSURE: 4179800 -27.612 -23.3214 -106.897 -23.3211 128.167 -42.6227 -106.896 -42.6228 9.35055 GPRESSURE: 4179800 -30.6217 -37.2042 2.69735 -31.6206 177.77 47.5427 -42.7685 -90.7773 44.623 PRESSAVG: 4179800 -21.0942 -65.7091 35.9382 -65.7091 29.3204 -16.4893 35.9382 -16.4892 3.47617 GPRESSAVG: 4179800 -21.9453 -63.3235 35.5673 -69.0384 29.6576 -15.1229 38.6435 -18.3769 3.97858 TIMING: 4179800 CPU: 13268, 0.00317893/step Wall: 13268, 0.00317893/step, 0.724267 hours remaining, 240.812500 MB of memory in use. ENERGY: 4179800 3964.4609 20280.9600 14423.8200 255.0799 -203537.3174 2589.1719 0.0000 0.0000 52072.3888 -109951.4358 299.2607 -162023.8246 -109597.9686 298.9157 36.6351 63.9237 758964.1072 3.9008 3.8969 PRESSURE: 4180000 -23.701 -73.4113 -14.616 -73.4107 384.595 -193.387 -14.6154 -193.388 -291.305 GPRESSURE: 4180000 -34.1996 -107.676 19.0312 -139.498 408.199 -251.377 -123.767 -214.667 -217.797 PRESSAVG: 4180000 -31.684 -12.0173 -11.768 -12.0173 63.4477 -8.75577 -11.768 -8.75578 -16.9672 GPRESSAVG: 4180000 -31.4103 -12.9213 -12.3544 -11.9281 63.1185 -7.92001 -13.6411 -4.96586 -16.8973 TIMING: 4180000 CPU: 13268.7, 0.00318926/step Wall: 13268.7, 0.00318926/step, 0.726442 hours remaining, 240.812500 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: 4180000 3965.1577 20327.7374 14514.1183 227.1153 -203563.6786 2661.9503 0.0000 0.0000 51917.3493 -109950.2503 298.3697 -161867.5996 -109594.0191 298.7588 23.1965 52.0674 757960.3666 4.9322 4.9370 PRESSURE: 4180200 -139.187 -38.7793 -130.203 -38.7792 242.451 -77.3863 -130.203 -77.3863 72.3751 GPRESSURE: 4180200 -162.151 17.3049 -152.855 -7.32646 353.28 -67.1343 -161.287 -213.508 86.3787 PRESSAVG: 4180200 -50.8196 0.366622 -15.7141 0.366638 96.4603 8.30459 -15.714 8.30454 -4.05901 GPRESSAVG: 4180200 -51.2768 0.642346 -16.2297 -0.87046 96.4957 8.1089 -18.0424 4.72401 -3.68426 TIMING: 4180200 CPU: 13269.3, 0.00316441/step Wall: 13269.3, 0.00316441/step, 0.720608 hours remaining, 240.812500 MB of memory in use. ENERGY: 4180200 3987.1188 20484.1606 14418.2104 230.4886 -203698.2861 2838.9849 0.0000 0.0000 51941.8490 -109797.4738 298.5105 -161739.3228 -109455.6143 298.2559 58.5462 92.5027 760764.0759 13.8606 13.8449 LDB: ============= START OF LOAD BALANCING ============== 13281.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13281.8 LDB: =============== DONE WITH MIGRATION ================ 13281.8 LDB: ============= START OF LOAD BALANCING ============== 13282.1 LDB: Largest compute 7056 load 0.036371 is 18.6% of average load 0.195527 LDB: Average compute 0.004402 is 2.3% of average load 0.195527 LDB: TIME 13282.1 LOAD: AVG 0.195527 MAX 0.21402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13282.1 LOAD: AVG 0.195527 MAX 0.21402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 13282.1 LOAD: AVG 0.195527 MAX 0.21402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 13282.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13282.1 PRESSURE: 4180400 -66.6924 50.1078 -57.19 50.1083 114.586 -63.4576 -57.189 -63.4575 -369.17 GPRESSURE: 4180400 12.4918 18.0526 -101.331 22.46 127.034 -96.161 47.8196 -5.26135 -385.39 PRESSAVG: 4180400 -25.8952 -42.8347 -89.7248 -42.8347 53.1795 29.958 -89.7247 29.9579 -5.17454 GPRESSAVG: 4180400 -25.7405 -41.8087 -89.5466 -41.392 53.2485 31.0665 -85.426 31.1497 -5.14774 TIMING: 4180400 CPU: 13269.9, 0.00321773/step Wall: 13269.9, 0.00321773/step, 0.73257 hours remaining, 239.835938 MB of memory in use. ENERGY: 4180400 3958.1624 20604.2594 14495.6478 231.9997 -203732.2610 2867.7352 0.0000 0.0000 52016.7782 -109557.6783 298.9411 -161574.4565 -109202.4995 299.2402 -107.0923 -81.9547 762233.6718 7.3699 7.4534 PRESSURE: 4180600 -74.0877 118.048 -4.12652 118.048 20.0939 -30.5534 -4.12628 -30.5531 390.518 GPRESSURE: 4180600 -9.6329 112.811 -93.795 77.6046 9.60066 52.2875 108.002 -118.216 426.9 PRESSAVG: 4180600 -27.1558 34.1849 -15.7858 34.1849 58.3135 -25.4821 -15.7857 -25.4822 -7.85229 GPRESSAVG: 4180600 -27.2612 33.5858 -16.3766 34.673 57.6441 -26.3336 -16.5495 -26.206 -7.45086 TIMING: 4180600 CPU: 13270.6, 0.00315801/step Wall: 13270.6, 0.00315801/step, 0.718799 hours remaining, 240.039062 MB of memory in use. ENERGY: 4180600 3933.3991 20494.7256 14446.1225 235.1388 -203491.1144 2891.9697 0.0000 0.0000 52069.4770 -109420.2816 299.2440 -161489.7586 -109056.2812 299.6075 112.1749 142.2892 761513.1201 7.7685 7.6440 PRESSURE: 4180800 183.665 -24.9526 214.862 -24.9525 246.352 135.818 214.862 135.818 -135.448 GPRESSURE: 4180800 187.784 -35.6497 173.62 18.3346 317.337 137.884 66.3717 134.148 -115.844 PRESSAVG: 4180800 -29.4886 -5.32761 -5.4642 -5.32753 54.626 -21.2221 -5.46426 -21.2221 15.7851 GPRESSAVG: 4180800 -29.625 -5.99464 -4.80711 -4.66813 56.1914 -20.8229 -4.59688 -20.9909 14.8902 TIMING: 4180800 CPU: 13271.2, 0.00318845/step Wall: 13271.2, 0.00318845/step, 0.72555 hours remaining, 240.039062 MB of memory in use. ENERGY: 4180800 3980.9625 20525.3383 14392.0204 258.4036 -202992.8769 2453.1625 0.0000 0.0000 52158.2678 -109224.7217 299.7543 -161382.9895 -108856.5782 299.9227 98.1896 129.7588 761090.9166 13.6408 13.8189 PRESSURE: 4181000 -416.348 140.908 -134.111 140.907 93.3439 -157.984 -134.111 -157.983 78.845 GPRESSURE: 4181000 -362.116 114.943 -62.2009 -4.45268 75.5793 -185.609 -272.743 -67.2866 120.889 PRESSAVG: 4181000 15.494 -48.8336 -72.0205 -48.8337 25.6285 -24.3386 -72.0206 -24.3385 -6.59807 GPRESSAVG: 4181000 16.7857 -49.6303 -70.7581 -48.4638 23.9175 -24.946 -75.2418 -21.9315 -6.29647 TIMING: 4181000 CPU: 13271.8, 0.00315459/step Wall: 13271.8, 0.00315459/step, 0.717669 hours remaining, 240.039062 MB of memory in use. ENERGY: 4181000 3992.1961 20562.0520 14414.5510 252.6889 -202883.2680 2477.9011 0.0000 0.0000 52049.4820 -109134.3970 299.1291 -161183.8790 -108780.7670 300.0433 -81.3865 -55.2159 762376.3528 11.5081 11.4689 PRESSURE: 4181200 125.181 219.744 115.501 219.744 -7.243 -18.2618 115.501 -18.2624 -277.685 GPRESSURE: 4181200 36.7353 178.205 139.882 87.9461 67.0251 6.13874 57.2355 37.6635 -202.946 PRESSAVG: 4181200 -29.4925 -14.621 -38.1322 -14.621 7.12264 -17.5802 -38.1322 -17.5803 -2.83445 GPRESSAVG: 4181200 -30.6864 -13.5242 -39.3848 -16.8434 8.31229 -18.3552 -36.7998 -20.4105 -2.75119 TIMING: 4181200 CPU: 13272.5, 0.00315857/step Wall: 13272.5, 0.00315857/step, 0.718399 hours remaining, 240.039062 MB of memory in use. ENERGY: 4181200 4012.0441 20485.6147 14396.1358 257.2722 -202911.2613 2149.9097 0.0000 0.0000 52254.8735 -109355.4114 300.3095 -161610.2849 -109001.2202 299.5291 -53.2490 -33.0620 761013.7971 -8.4014 -8.3751 PRESSURE: 4181400 -104.569 -132.38 -211.82 -132.381 237.56 16.3197 -211.82 16.32 -235.371 GPRESSURE: 4181400 10.2275 -200.543 -214.533 -49.4874 166.293 44.381 -170.698 -30.8435 -212.868 PRESSAVG: 4181400 1.47027 -68.995 -43.5741 -68.995 0.846987 -26.2851 -43.5741 -26.285 -7.00562 GPRESSAVG: 4181400 3.4459 -69.3309 -44.1773 -67.7888 -0.557956 -25.8379 -42.0248 -23.8984 -7.39941 TIMING: 4181400 CPU: 13273.1, 0.00315976/step Wall: 13273.1, 0.00315976/step, 0.718495 hours remaining, 240.039062 MB of memory in use. ENERGY: 4181400 4044.8829 20484.1647 14456.4863 249.8293 -203667.3944 2676.5463 0.0000 0.0000 52386.9846 -109368.5003 301.0687 -161755.4849 -108997.7012 299.8395 -34.1267 -12.1156 761137.5108 -1.5628 -1.5038 PRESSURE: 4181600 201.934 140.445 -20.8496 140.445 -56.4711 -74.7636 -20.8502 -74.7634 -90.1798 GPRESSURE: 4181600 233.63 229.036 11.0268 85.4966 -34.5969 -86.4715 105.556 -72.2252 -44.1855 PRESSAVG: 4181600 -14.7758 -4.85462 -39.795 -4.8547 7.22738 -23.222 -39.795 -23.222 9.01713 GPRESSAVG: 4181600 -14.7319 -3.5987 -36.8961 -4.94587 6.8353 -21.4851 -40.0796 -25.6355 9.49869 TIMING: 4181600 CPU: 13273.7, 0.00315836/step Wall: 13273.7, 0.00315836/step, 0.718001 hours remaining, 240.039062 MB of memory in use. ENERGY: 4181600 3942.6939 20537.9661 14402.9974 260.8819 -203447.7005 2552.8290 0.0000 0.0000 52123.6035 -109626.7287 299.5551 -161750.3321 -109265.2525 299.1765 18.4279 51.6158 760313.8534 0.4896 0.5340 PRESSURE: 4181800 -19.935 -186.588 183.616 -186.588 357.337 -252.364 183.616 -252.363 176.745 GPRESSURE: 4181800 11.3683 -141.104 131.1 -162.523 394.451 -207.536 181.766 -103.968 199.627 PRESSAVG: 4181800 -23.439 -20.2077 -19.4586 -20.2077 -25.3706 -13.8658 -19.4586 -13.8658 6.30817 GPRESSAVG: 4181800 -24.6046 -22.4735 -21.5866 -19.3364 -24.0079 -13.9538 -19.8453 -11.5545 6.28685 TIMING: 4181800 CPU: 13274.4, 0.00315256/step Wall: 13274.4, 0.00315256/step, 0.716507 hours remaining, 240.039062 MB of memory in use. ENERGY: 4181800 4007.2506 20467.6791 14527.7369 230.9469 -203514.8716 2779.0707 0.0000 0.0000 51907.5132 -109594.6743 298.3132 -161502.1875 -109233.5376 299.4634 171.3822 201.8153 761313.4378 -14.1672 -14.1085 PRESSURE: 4182000 29.7895 -228.32 -103.422 -228.321 38.094 127.22 -103.421 127.219 -393.786 GPRESSURE: 4182000 123.642 -235.794 -69.5563 -265.647 0.23082 93.3345 -148.93 21.2414 -370.141 PRESSAVG: 4182000 -14.9394 -52.7292 -61.1382 -52.7291 18.3679 -4.2467 -61.1382 -4.24675 -3.66823 GPRESSAVG: 4182000 -13.9326 -52.5488 -60.9196 -53.0912 17.1582 -3.83183 -59.1805 -7.69594 -4.01165 TIMING: 4182000 CPU: 13275, 0.00313745/step Wall: 13275, 0.00313745/step, 0.712899 hours remaining, 240.039062 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: 4182000 3967.8818 20462.9113 14522.3468 251.0557 -203489.5367 2728.9858 0.0000 0.0000 51969.2261 -109587.1292 298.6679 -161556.3553 -109223.0947 298.9979 -108.6341 -82.0892 761717.7319 -0.0799 -0.2620 PRESSURE: 4182200 -102.62 -13.1884 -79.1009 -13.1882 -130.967 -90.6285 -79.1012 -90.6285 -33.8629 GPRESSURE: 4182200 -144.876 65.7307 -81.6021 20.1251 -31.4973 -91.1008 22.0075 -181.069 -13.711 PRESSAVG: 4182200 20.8116 -81.3702 7.84602 -81.3702 -27.1043 10.924 7.84601 10.9239 21.3405 GPRESSAVG: 4182200 19.5316 -79.9889 7.46098 -82.9141 -26.3583 9.77062 5.26909 12.8329 21.8222 TIMING: 4182200 CPU: 13275.6, 0.00313371/step Wall: 13275.6, 0.00313371/step, 0.711874 hours remaining, 240.039062 MB of memory in use. ENERGY: 4182200 3930.6362 20446.9818 14440.0270 247.8594 -203023.2464 2461.4452 0.0000 0.0000 52122.8852 -109373.4115 299.5509 -161496.2967 -109008.4467 299.6092 -89.1501 -63.3615 761846.1843 5.0159 4.9985 PRESSURE: 4182400 -229.834 -253.6 -9.11281 -253.598 -67.9212 97.7654 -9.11277 97.7637 -305.394 GPRESSURE: 4182400 -87.423 -294.804 -34.3458 -301.287 -120.705 123.283 -5.20567 5.7451 -312.213 PRESSAVG: 4182400 9.61404 -60.2852 -15.6613 -60.2852 7.30524 -18.6356 -15.6613 -18.6357 2.90644 GPRESSAVG: 4182400 9.34852 -60.5174 -15.7515 -57.6667 6.40857 -16.9486 -13.6624 -19.9699 3.74012 TIMING: 4182400 CPU: 13276.3, 0.00315855/step Wall: 13276.3, 0.00315855/step, 0.717341 hours remaining, 240.039062 MB of memory in use. ENERGY: 4182400 4014.2077 20307.5817 14478.4253 231.5942 -203173.1399 2465.1381 0.0000 0.0000 52131.2948 -109544.8980 299.5993 -161676.1928 -109180.5552 299.3618 -201.0498 -173.4470 761107.9456 6.6086 6.4991 PRESSURE: 4182600 -294.76 145.283 211.482 145.283 -169.954 -203.444 211.482 -203.444 -538.717 GPRESSURE: 4182600 -340.652 68.4684 164.516 109.362 -137.694 -240.525 122.831 -75.3238 -451.278 PRESSAVG: 4182600 -14.5447 -58.428 4.63983 -58.4279 21.5612 -14.8862 4.63977 -14.8862 -0.361733 GPRESSAVG: 4182600 -12.8473 -58.9999 3.74668 -61.4266 21.435 -16.3297 1.86636 -11.5931 -2.24417 TIMING: 4182600 CPU: 13276.9, 0.00315877/step Wall: 13276.9, 0.00315877/step, 0.717217 hours remaining, 240.039062 MB of memory in use. ENERGY: 4182600 4043.3951 20585.0009 14416.0456 233.7059 -202871.5142 2087.8476 0.0000 0.0000 51976.4809 -109529.0382 298.7096 -161505.5191 -109163.6845 299.1158 -334.4768 -309.8749 762240.5683 2.2182 2.1145 PRESSURE: 4182800 -316.149 7.50082 -115.462 7.50096 -306.77 5.0481 -115.462 5.04718 353.077 GPRESSURE: 4182800 -271.034 -10.9671 -80.6645 1.08198 -241.168 37.232 -18.2989 -22.7895 336.614 PRESSAVG: 4182800 7.04609 22.9729 -47.3099 22.9728 -20.8058 -15.2865 -47.3099 -15.2864 -3.15924 GPRESSAVG: 4182800 4.3017 22.8853 -46.0516 24.251 -19.7818 -14.4737 -45.1392 -18.2892 -1.7363 TIMING: 4182800 CPU: 13277.5, 0.00314026/step Wall: 13277.5, 0.00314026/step, 0.712839 hours remaining, 240.039062 MB of memory in use. ENERGY: 4182800 3953.3906 20609.2577 14400.1194 252.8858 -203188.4449 2530.0268 0.0000 0.0000 51881.2010 -109561.5637 298.1620 -161442.7647 -109201.0239 299.1140 -89.9475 -58.5294 762006.6523 -5.6397 -5.7388 PRESSURE: 4183000 -57.7143 -227.319 -134.815 -227.319 -353.625 0.786862 -134.816 0.787289 -421.861 GPRESSURE: 4183000 -17.4948 -124.241 -17.9203 -165.94 -283.277 -22.2243 -111.029 -29.0358 -432.072 PRESSAVG: 4183000 32.0149 -57.114 -47.1829 -57.114 -22.0461 -26.0602 -47.183 -26.0602 25.1823 GPRESSAVG: 4183000 33.3578 -55.8637 -48.2887 -58.3112 -22.8905 -25.2635 -48.4849 -25.2663 24.8679 TIMING: 4183000 CPU: 13278.1, 0.00314224/step Wall: 13278.1, 0.00314224/step, 0.713114 hours remaining, 240.039062 MB of memory in use. ENERGY: 4183000 4028.2714 20529.1952 14414.1997 256.4957 -202914.4175 2373.6726 0.0000 0.0000 51743.0565 -109569.5264 297.3681 -161312.5829 -109216.6121 299.3552 -277.7334 -244.2812 764223.1117 11.7170 11.7784 PRESSURE: 4183200 -196.821 -114.073 -70.2263 -114.074 249.272 102.614 -70.2263 102.614 330.825 GPRESSURE: 4183200 -103.89 -16.8166 -16.4083 -152.271 308.465 86.6749 -107.276 35.441 266.177 PRESSAVG: 4183200 -0.879674 -29.0404 -53.7531 -29.0405 20.9837 21.3011 -53.7531 21.3011 -6.30716 GPRESSAVG: 4183200 -1.47161 -29.3611 -52.3381 -28.008 21.2314 20.6543 -53.7014 22.4964 -6.39498 TIMING: 4183200 CPU: 13278.8, 0.00314261/step Wall: 13278.8, 0.00314261/step, 0.713023 hours remaining, 240.039062 MB of memory in use. ENERGY: 4183200 3884.9344 20391.2397 14429.9656 258.9827 -203268.3117 2542.5547 0.0000 0.0000 52342.3880 -109418.2466 300.8124 -161760.6346 -109049.4096 299.5222 127.7583 156.9171 762587.6109 4.5989 4.4549 PRESSURE: 4183400 69.4965 -84.7409 147.905 -84.7397 54.8171 123.496 147.904 123.496 -187.597 GPRESSURE: 4183400 94.5243 46.858 179.282 2.17993 94.3181 174.675 126.438 109.611 -161.335 PRESSAVG: 4183400 3.30686 -13.8928 20.0512 -13.8928 5.25678 1.81135 20.0512 1.81129 4.87633 GPRESSAVG: 4183400 2.65012 -12.4768 18.7585 -12.8332 5.58229 0.28786 20.623 2.82109 4.94293 TIMING: 4183400 CPU: 13279.4, 0.00314518/step Wall: 13279.4, 0.00314518/step, 0.713432 hours remaining, 240.039062 MB of memory in use. ENERGY: 4183400 4054.2158 20465.1495 14496.6659 249.3200 -203327.1962 2484.9118 0.0000 0.0000 52338.4501 -109238.4831 300.7898 -161576.9332 -108880.1853 299.5751 -21.0944 9.1691 760799.1710 4.4800 4.3918 PRESSURE: 4183600 -71.0339 157.422 -39.5452 157.421 -81.6672 -5.6671 -39.5451 -5.66808 55.2866 GPRESSURE: 4183600 -52.0928 157.038 -65.2738 123.569 -28.6306 -15.9953 -120.384 86.9929 87.4221 PRESSAVG: 4183600 -26.8039 38.7112 -5.15522 38.7111 61.8685 46.2067 -5.15519 46.2067 -6.21615 GPRESSAVG: 4183600 -26.3168 37.1752 -4.6896 38.3569 61.2856 45.946 -5.38214 46.7764 -6.16847 TIMING: 4183600 CPU: 13280, 0.00317386/step Wall: 13280, 0.00317386/step, 0.719762 hours remaining, 240.039062 MB of memory in use. ENERGY: 4183600 3972.0103 20495.0867 14478.4723 258.9690 -203178.8550 2589.0307 0.0000 0.0000 52217.9930 -109167.2929 300.0975 -161385.2859 -108803.2607 299.8074 -32.4715 2.2329 762423.6917 9.6161 9.6001 PRESSURE: 4183800 34.8984 92.4425 172.433 92.4421 -170.123 47.4342 172.433 47.4337 56.9446 GPRESSURE: 4183800 128.71 85.7115 272.881 43.4159 -135.882 55.2551 12.0347 -18.6636 15.5352 PRESSAVG: 4183800 -19.9975 66.5148 -7.20172 66.5149 26.3846 40.9554 -7.20165 40.9553 -8.98292 GPRESSAVG: 4183800 -19.5468 63.2455 -5.87687 69.4096 26.9595 43.8235 -7.61009 40.1024 -10.0664 TIMING: 4183800 CPU: 13280.7, 0.00313723/step Wall: 13280.7, 0.00313723/step, 0.711279 hours remaining, 240.039062 MB of memory in use. ENERGY: 4183800 4058.8607 20407.7473 14403.2161 252.7327 -203497.6479 2817.2033 0.0000 0.0000 52312.0635 -109245.8244 300.6381 -161557.8879 -108875.4131 299.8762 -26.0934 2.7876 762710.1870 -0.8653 -0.8846 PRESSURE: 4184000 -15.8426 117.998 -178.149 117.998 -59.8838 -2.84264 -178.148 -2.84271 -107.636 GPRESSURE: 4184000 12.0312 124.874 -187.958 150.437 -53.605 122.536 -118.302 122.925 -53.037 PRESSAVG: 4184000 -20.7664 7.66354 16.61 7.66348 2.69216 20.8325 16.61 20.8325 -23.2575 GPRESSAVG: 4184000 -19.6488 11.1113 14.606 3.6022 0.666971 19.1873 18.0433 19.1615 -21.7189 TIMING: 4184000 CPU: 13281.3, 0.00314583/step Wall: 13281.3, 0.00314583/step, 0.713056 hours remaining, 240.039062 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: 4184000 3954.6793 20435.3295 14420.4033 249.6395 -203363.1851 2607.6396 0.0000 0.0000 52329.6268 -109365.8671 300.7391 -161695.4939 -109003.2153 299.6192 -61.1209 -31.5369 763238.2176 -13.7772 -13.5669 PRESSURE: 4184200 -189.803 31.8213 -88.4666 31.821 -346.58 214.943 -88.4668 214.942 -38.7365 GPRESSURE: 4184200 -151.001 -2.5624 -45.5983 104.463 -361.391 247.359 -69.6764 180.685 36.9985 PRESSAVG: 4184200 -57.1683 -16.5961 18.7821 -16.5961 53.1819 8.65399 18.7821 8.65395 -15.0936 GPRESSAVG: 4184200 -58.1757 -19.047 19.9062 -14.2448 53.1175 8.41394 21.1112 10.1811 -14.6551 TIMING: 4184200 CPU: 13281.9, 0.00313317/step Wall: 13281.9, 0.00313317/step, 0.710012 hours remaining, 240.039062 MB of memory in use. ENERGY: 4184200 3925.5355 20446.2745 14480.0897 226.0173 -203138.0205 2403.9987 0.0000 0.0000 52038.0820 -109618.0228 299.0636 -161656.1048 -109262.4432 299.3566 -191.7065 -158.4646 761018.7528 -6.3600 -6.5711 LDB: ============= START OF LOAD BALANCING ============== 13294.4 LDB: ============== END OF LOAD BALANCING =============== 13294.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13294.4 LDB: ============= START OF LOAD BALANCING ============== 13294.7 LDB: Largest compute 7056 load 0.037575 is 19.2% of average load 0.195604 LDB: Average compute 0.004408 is 2.3% of average load 0.195604 LDB: TIME 13294.7 LOAD: AVG 0.195604 MAX 0.213951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 13294.7 LOAD: AVG 0.195604 MAX 0.213951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 13294.7 LOAD: AVG 0.195604 MAX 0.213951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 13294.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13294.7 PRESSURE: 4184400 -244.635 -344.228 111.333 -344.229 -268.94 69.7375 111.334 69.7383 152.97 GPRESSURE: 4184400 -146.425 -252.213 55.613 -261.358 -270.064 69.1176 27.4923 1.35691 130.589 PRESSAVG: 4184400 -51.9546 -27.617 -13.0257 -27.617 45.0556 -13.0853 -13.0256 -13.0853 -4.67207 GPRESSAVG: 4184400 -50.488 -23.9243 -13.456 -28.3774 44.8837 -11.7213 -16.1326 -14.9896 -5.76956 TIMING: 4184400 CPU: 13282.6, 0.003208/step Wall: 13282.6, 0.003208/step, 0.72679 hours remaining, 239.324219 MB of memory in use. ENERGY: 4184400 4016.6333 20548.2988 14536.2720 230.6610 -202985.8557 2224.5076 0.0000 0.0000 51923.0312 -109506.4518 298.4024 -161429.4829 -109151.7649 299.4040 -120.2018 -95.2999 761029.5769 -3.8570 -3.7913 PRESSURE: 4184600 51.127 142.6 -34.5431 142.6 -33.2046 89.4477 -34.5424 89.4473 136.051 GPRESSURE: 4184600 149.451 117.903 -7.85218 -53.6411 -32.4969 138.909 -45.2993 171.759 125.424 PRESSAVG: 4184600 10.8557 20.2047 -17.7684 20.2048 12.0829 -56.3737 -17.7684 -56.3737 24.3307 GPRESSAVG: 4184600 9.54911 18.3261 -15.8764 19.9291 13.4671 -56.7769 -17.4912 -55.5262 24.281 TIMING: 4184600 CPU: 13283.2, 0.00313805/step Wall: 13283.2, 0.00313805/step, 0.710769 hours remaining, 239.324219 MB of memory in use. ENERGY: 4184600 3931.0145 20409.1452 14442.2481 244.9433 -203655.0951 2816.6076 0.0000 0.0000 52291.0201 -109520.1163 300.5172 -161811.1364 -109154.3580 299.2494 51.3245 80.7928 760597.2780 15.7564 15.7657 PRESSURE: 4184800 -223.314 -85.2475 -218.295 -85.2483 -176.38 -32.2438 -218.295 -32.2448 -236.493 GPRESSURE: 4184800 -187.439 -246.658 -206.777 -36.5458 -166.684 -16.2904 -73.6891 101.573 -182.137 PRESSAVG: 4184800 13.6865 17.448 -52.3089 17.4479 -13.0667 -37.1632 -52.3089 -37.1632 -9.97394 GPRESSAVG: 4184800 14.2594 14.9332 -53.2545 21.1497 -13.5214 -37.2155 -52.4807 -36.9202 -9.83343 TIMING: 4184800 CPU: 13283.8, 0.00312549/step Wall: 13283.8, 0.00312549/step, 0.707749 hours remaining, 239.324219 MB of memory in use. ENERGY: 4184800 3968.9018 20420.3120 14425.6861 270.6230 -203138.6658 2329.1273 0.0000 0.0000 52182.1278 -109541.8878 299.8914 -161724.0156 -109178.6109 299.6428 -212.0624 -178.7533 762459.5447 -3.1180 -3.0318 PRESSURE: 4185000 205.676 -114.49 -141.207 -114.49 79.018 -56.4721 -141.207 -56.4717 -124.518 GPRESSURE: 4185000 224.883 47.2567 -111.705 -118.865 104.716 -123.658 -110.126 -61.3845 -88.7498 PRESSAVG: 4185000 -36.171 13.4695 -0.706756 13.4695 25.0009 40.785 -0.706774 40.785 -0.319141 GPRESSAVG: 4185000 -37.4964 17.3157 -0.466934 8.95747 26.3963 41.1344 -1.5416 41.7676 -0.322895 TIMING: 4185000 CPU: 13284.4, 0.00314763/step Wall: 13284.4, 0.00314763/step, 0.712588 hours remaining, 239.324219 MB of memory in use. ENERGY: 4185000 3905.4329 20502.4917 14482.7253 224.3346 -203249.7548 2601.0105 0.0000 0.0000 52205.2931 -109328.4667 300.0245 -161533.7598 -108964.0628 299.3949 53.3921 80.2828 762027.9857 -3.8298 -3.8077 PRESSURE: 4185200 -29.1429 -131.748 139.793 -131.748 75.7374 7.70097 139.793 7.70146 246.626 GPRESSURE: 4185200 13.1197 -198.516 184.17 9.48517 123.76 -23.7342 33.1916 -66.7644 251.371 PRESSAVG: 4185200 31.134 -10.4101 -22.7923 -10.4101 -22.6817 0.988939 -22.7923 0.98891 -6.94139 GPRESSAVG: 4185200 30.7708 -10.7505 -24.1364 -8.03605 -23.763 0.148949 -20.9598 -0.7674 -4.92772 TIMING: 4185200 CPU: 13285.1, 0.00314032/step Wall: 13285.1, 0.00314032/step, 0.710759 hours remaining, 239.324219 MB of memory in use. ENERGY: 4185200 4053.5050 20295.2333 14474.6326 227.9094 -203566.6624 3047.0079 0.0000 0.0000 52146.3408 -109322.0334 299.6857 -161468.3742 -108958.7018 299.9485 97.7400 129.4169 762048.2694 0.5036 0.6933 PRESSURE: 4185400 23.3485 -150.069 -138.056 -150.069 -50.0386 -238.563 -138.056 -238.562 211.383 GPRESSURE: 4185400 92.8021 -52.089 51.146 -32.4091 -19.7503 -174.986 -25.9301 -159.677 222.316 PRESSAVG: 4185400 -7.88099 1.567 -3.29026 1.56696 22.1181 -16.2009 -3.29033 -16.2009 -7.60077 GPRESSAVG: 4185400 -5.96129 0.0495977 -2.70233 2.5218 22.8742 -18.0525 -3.24327 -12.6777 -9.42757 TIMING: 4185400 CPU: 13285.7, 0.00312841/step Wall: 13285.7, 0.00312841/step, 0.707889 hours remaining, 239.324219 MB of memory in use. ENERGY: 4185400 3997.6417 20387.8316 14438.2409 230.9456 -203507.9698 2819.2367 0.0000 0.0000 52339.6006 -109294.4726 300.7964 -161634.0732 -108937.6931 300.0766 61.5642 98.4559 760878.2748 2.2121 2.4951 PRESSURE: 4185600 486.201 -87.8741 -95.6773 -87.8737 187.37 27.1348 -95.6772 27.1349 446.984 GPRESSURE: 4185600 422.788 -105.135 -75.9473 -206.408 312.12 0.146591 -69.0456 -14.6763 449.987 PRESSAVG: 4185600 12.1669 9.84877 12.5816 9.84878 -44.1742 -32.4913 12.5816 -32.4912 2.44508 GPRESSAVG: 4185600 11.648 13.0644 11.4615 7.65235 -42.925 -31.3107 12.0469 -34.1831 1.73614 TIMING: 4185600 CPU: 13286.3, 0.00314899/step Wall: 13286.3, 0.00314899/step, 0.712371 hours remaining, 239.324219 MB of memory in use. ENERGY: 4185600 3914.0606 20410.3833 14445.6365 235.1831 -203591.1197 2806.1869 0.0000 0.0000 52396.4725 -109383.1968 301.1232 -161779.6693 -109016.0910 299.8373 373.5183 394.9650 759576.5301 -9.8541 -9.8470 PRESSURE: 4185800 -191.409 -51.8311 -7.75364 -51.831 -24.1629 -77.1131 -7.75319 -77.1129 86.0328 GPRESSURE: 4185800 -193.825 -67.9081 -49.6668 -31.1088 101.644 -109.673 -68.235 -58.7422 52.8597 PRESSAVG: 4185800 33.1683 6.82142 16.6138 6.8214 -16.5518 9.58463 16.6138 9.58455 -8.74066 GPRESSAVG: 4185800 31.2807 6.71078 17.4768 5.57831 -16.5239 9.99896 14.4622 10.4429 -6.74192 TIMING: 4185800 CPU: 13287, 0.00315523/step Wall: 13287, 0.00315523/step, 0.713608 hours remaining, 239.324219 MB of memory in use. ENERGY: 4185800 4031.8236 20356.9983 14400.4963 253.7774 -202809.6165 2265.1271 0.0000 0.0000 52200.5522 -109300.8416 299.9973 -161501.3938 -108936.4917 299.9166 -43.1798 -13.1073 760200.8163 2.6253 2.6716 PRESSURE: 4186000 -340.29 45.0812 20.2066 45.0815 35.4841 -74.7272 20.2066 -74.7277 -7.72123 GPRESSURE: 4186000 -261.301 50.7735 3.51808 171.878 115.626 -168.003 20.9878 4.26192 -88.4428 PRESSAVG: 4186000 -6.39897 1.10754 53.6903 1.10758 -4.39932 -4.35194 53.6902 -4.35196 -5.60081 GPRESSAVG: 4186000 -4.91237 0.956344 53.6581 2.24493 -4.79121 -4.4469 53.8701 -4.48459 -6.58177 TIMING: 4186000 CPU: 13287.6, 0.00312957/step Wall: 13287.6, 0.00312957/step, 0.707631 hours remaining, 239.324219 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: 4186000 3979.3401 20264.3985 14419.9568 247.0616 -202973.9730 2474.4329 0.0000 0.0000 52284.4254 -109304.3577 300.4793 -161588.7831 -108933.4272 300.2433 -104.1756 -78.0394 761178.3329 -5.4664 -5.4285 PRESSURE: 4186200 147.438 274.379 -262.084 274.379 7.30851 -148.072 -262.084 -148.071 -135.517 GPRESSURE: 4186200 148.109 136.231 -239.507 87.0916 21.4855 -81.5833 -125.445 -147.37 -63.9461 PRESSAVG: 4186200 -49.2598 43.991 2.70949 43.991 8.79829 6.34612 2.70951 6.34625 7.75155 GPRESSAVG: 4186200 -47.2677 43.5887 2.08187 42.4172 7.80592 6.51143 4.88464 5.35066 6.73909 TIMING: 4186200 CPU: 13288.2, 0.00313582/step Wall: 13288.2, 0.00313582/step, 0.708869 hours remaining, 239.324219 MB of memory in use. ENERGY: 4186200 3905.3629 20683.9032 14441.7774 243.5629 -202794.4628 2201.5871 0.0000 0.0000 52182.9535 -109135.3157 299.8962 -161318.2692 -108773.4550 300.3511 6.4097 35.2162 760192.4855 -10.9033 -10.9076 PRESSURE: 4186400 -28.4608 -129.296 30.9744 -129.296 177.25 -158.998 30.9736 -158.997 176.324 GPRESSURE: 4186400 61.4243 -132.726 48.386 -118.702 215.063 -283.859 41.515 -124.025 149.696 PRESSAVG: 4186400 11.5387 -7.59271 -23.9127 -7.5927 7.39908 -28.3483 -23.9128 -28.3482 9.88166 GPRESSAVG: 4186400 10.3849 -9.80071 -23.5128 -5.33235 6.59213 -29.2286 -24.3949 -28.4469 11.9579 TIMING: 4186400 CPU: 13288.8, 0.00312882/step Wall: 13288.8, 0.00312882/step, 0.707114 hours remaining, 239.324219 MB of memory in use. ENERGY: 4186400 3946.7378 20386.2575 14383.9790 267.8816 -203089.6766 2563.3798 0.0000 0.0000 52418.9391 -109122.5017 301.2524 -161541.4409 -108760.3098 300.6510 108.3710 142.0612 760665.3871 9.6065 9.6450 PRESSURE: 4186600 -360.058 45.8095 2.03779 45.8097 223.668 22.4779 2.03739 22.4779 11.1451 GPRESSURE: 4186600 -331.075 -2.14738 64.6964 52.1414 251.071 31.8216 -96.1415 102.206 24.9125 PRESSAVG: 4186600 -3.32686 76.1314 -42.84 76.1313 -64.4938 29.6022 -42.84 29.6023 -16.7027 GPRESSAVG: 4186600 -3.372 75.3917 -43.5606 76.7976 -62.9094 30.4418 -43.6949 29.2085 -18.4655 TIMING: 4186600 CPU: 13289.5, 0.00315698/step Wall: 13289.5, 0.00315697/step, 0.713301 hours remaining, 239.324219 MB of memory in use. ENERGY: 4186600 4027.8337 20334.6540 14498.7279 258.7418 -203255.6502 2542.6752 0.0000 0.0000 52304.1249 -109288.8925 300.5925 -161593.0175 -108922.8961 299.7243 -41.7483 -18.3639 759333.0573 -28.1745 -28.2490 PRESSURE: 4186800 603.914 187.078 -88.8494 187.078 290.306 188.131 -88.8493 188.132 303.107 GPRESSURE: 4186800 606.467 139.894 -40.7085 155.001 381.077 198.233 -64.073 113.765 277.555 PRESSAVG: 4186800 17.9055 -44.5654 -12.5984 -44.5655 -51.8277 9.43542 -12.5984 9.43539 -8.19591 GPRESSAVG: 4186800 17.9616 -42.4319 -12.7838 -45.5647 -52.0197 8.67244 -12.6206 10.3861 -8.05333 TIMING: 4186800 CPU: 13290.1, 0.00314111/step Wall: 13290.1, 0.00314111/step, 0.709543 hours remaining, 239.324219 MB of memory in use. ENERGY: 4186800 3962.4967 20506.8032 14488.5586 254.9105 -203426.2358 2618.7313 0.0000 0.0000 52395.5326 -109199.2029 301.1178 -161594.7355 -108833.8453 300.2095 399.1090 421.6997 758860.4129 -14.0394 -14.0371 PRESSURE: 4187000 226.444 -137.301 -64.9509 -137.301 118.552 56.1706 -64.9503 56.1698 194.047 GPRESSURE: 4187000 329.964 -9.18224 -53.9242 -46.0764 85.7955 27.1913 -112.912 108.305 208.508 PRESSAVG: 4187000 11.67 -56.9069 0.298412 -56.9069 11.6386 -6.26983 0.298428 -6.26981 -9.11905 GPRESSAVG: 4187000 11.7946 -54.6725 -0.383599 -57.9441 11.0615 -7.01792 1.51446 -5.80667 -8.71816 TIMING: 4187000 CPU: 13290.7, 0.00315534/step Wall: 13290.7, 0.00315533/step, 0.71258 hours remaining, 239.324219 MB of memory in use. ENERGY: 4187000 3922.2690 20621.3688 14433.1974 268.9164 -203369.5749 2679.5776 0.0000 0.0000 52366.2323 -109078.0135 300.9495 -161444.2458 -108719.7885 300.5159 179.6811 208.0892 759700.7088 4.7299 4.7127 PRESSURE: 4187200 -106.973 -97.5838 -102.136 -97.5834 34.2548 -30.4598 -102.136 -30.4597 -505.231 GPRESSURE: 4187200 -45.3013 -82.9474 -99.1252 -229.16 3.87403 -46.6582 -134.836 -28.2782 -451.17 PRESSAVG: 4187200 73.0246 -63.3007 7.72539 -63.3007 -32.9126 -9.54341 7.72538 -9.54345 -11.4002 GPRESSAVG: 4187200 71.2279 -64.4705 9.37831 -64.6723 -31.2735 -7.59604 5.48645 -10.701 -11.6121 TIMING: 4187200 CPU: 13291.4, 0.00315421/step Wall: 13291.4, 0.00315421/step, 0.71215 hours remaining, 239.324219 MB of memory in use. ENERGY: 4187200 4013.9380 20525.5777 14403.4237 231.8201 -203457.4882 2811.4486 0.0000 0.0000 52382.3286 -109088.9516 301.0420 -161471.2802 -108723.6292 300.8600 -192.6498 -164.1990 760041.2166 9.5706 9.4474 PRESSURE: 4187400 -460.297 -67.3633 100.349 -67.3637 -169.902 57.5473 100.349 57.547 -702.141 GPRESSURE: 4187400 -372.136 -41.7297 72.2961 -3.48912 -116.595 43.5662 -70.3091 -66.0179 -763.371 PRESSAVG: 4187400 59.0389 -6.91794 -14.4093 -6.91794 -37.0411 -47.0546 -14.4093 -47.0545 -1.16354 GPRESSAVG: 4187400 59.4932 -7.50193 -15.5622 -3.91651 -37.2267 -47.2779 -12.1304 -47.6601 -1.54029 TIMING: 4187400 CPU: 13292, 0.00313846/step Wall: 13292, 0.00313846/step, 0.70842 hours remaining, 239.324219 MB of memory in use. ENERGY: 4187400 4011.9420 20529.4044 14394.6079 233.4218 -202704.7820 1926.9262 0.0000 0.0000 52342.1958 -109266.2838 300.8113 -161608.4796 -108900.1076 300.4081 -444.1133 -417.3675 758412.8264 6.9447 6.9087 PRESSURE: 4187600 0.195683 -121.984 145.878 -121.983 -87.877 -138.177 145.877 -138.177 -484.804 GPRESSURE: 4187600 -56.6651 -51.8664 126.949 -26.867 8.34189 -129.805 58.43 -137.557 -436.178 PRESSAVG: 4187600 -7.07345 9.5333 5.9484 9.53334 -4.38597 -36.3834 5.94836 -36.3834 2.45415 GPRESSAVG: 4187600 -6.61936 8.57647 5.91076 8.8122 -4.46669 -37.6159 5.08529 -36.5433 1.83124 TIMING: 4187600 CPU: 13292.6, 0.00314589/step Wall: 13292.6, 0.00314589/step, 0.709923 hours remaining, 239.324219 MB of memory in use. ENERGY: 4187600 4049.0420 20517.9210 14485.1805 242.7619 -202943.6873 2308.8850 0.0000 0.0000 52187.3441 -109152.5527 299.9214 -161339.8968 -108798.5214 300.0261 -190.8283 -161.5004 759611.6466 -3.0018 -3.0849 PRESSURE: 4187800 -118.814 -116.368 -101.469 -116.368 177.852 -89.7476 -101.469 -89.7482 137.494 GPRESSURE: 4187800 -50.6179 -5.95015 -47.2049 -79.8377 192.13 -146.455 26.9517 -124.146 132.063 PRESSAVG: 4187800 -27.3647 -32.108 16.5748 -32.108 5.73393 1.53167 16.5748 1.53172 1.09256 GPRESSAVG: 4187800 -27.1026 -31.3975 17.6315 -31.9324 3.24653 0.820159 16.7544 2.49784 2.97312 TIMING: 4187800 CPU: 13293.3, 0.00315756/step Wall: 13293.3, 0.00315756/step, 0.712381 hours remaining, 239.324219 MB of memory in use. ENERGY: 4187800 4046.6133 20448.8721 14416.8544 240.0058 -203437.7863 2686.6442 0.0000 0.0000 52504.8679 -109093.9288 301.7462 -161598.7966 -108730.0628 300.6914 65.5108 91.1917 758839.6834 -6.8461 -6.9610 PRESSURE: 4188000 -173.73 -54.5285 -198.504 -54.5287 -105.826 -287.119 -198.504 -287.119 -267.436 GPRESSURE: 4188000 -207.344 -295.757 -219.984 -35.5633 -52.629 -294.94 -138.637 -164.497 -200.053 PRESSAVG: 4188000 55.6832 3.4258 1.11094 3.42583 20.5944 -46.0397 1.11097 -46.0398 -0.594224 GPRESSAVG: 4188000 55.4869 1.47455 -1.83572 2.82958 21.6035 -45.6427 2.53515 -47.9789 -2.10892 TIMING: 4188000 CPU: 13293.9, 0.00314343/step Wall: 13293.9, 0.00314343/step, 0.709018 hours remaining, 239.324219 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: 4188000 4001.1808 20514.4523 14485.2813 264.1205 -203182.9272 2589.2357 0.0000 0.0000 52279.7012 -109048.9553 300.4522 -161328.6565 -108683.3850 300.5104 -182.3308 -153.3419 760534.4207 25.2278 24.9938 PRESSURE: 4188200 -116.169 -70.0323 65.0429 -70.0321 -238.964 -48.4674 65.0428 -48.4691 167.337 GPRESSURE: 4188200 -84.6276 -83.3979 32.7625 -105.094 -253.083 -48.9861 -112.211 -76.0533 228.412 PRESSAVG: 4188200 -2.37207 -28.6501 -15.8095 -28.6501 -14.4007 26.2865 -15.8095 26.2866 -5.58334 GPRESSAVG: 4188200 -3.28786 -26.7735 -13.5845 -29.8279 -13.2947 26.3934 -18.6061 28.0462 -5.71374 TIMING: 4188200 CPU: 13294.5, 0.0031439/step Wall: 13294.5, 0.0031439/step, 0.708949 hours remaining, 239.324219 MB of memory in use. ENERGY: 4188200 4032.5345 20461.2222 14433.3848 251.9054 -203177.6777 2401.7079 0.0000 0.0000 52386.2887 -109210.6343 301.0647 -161596.9230 -108839.6936 300.5038 -62.5988 -36.4331 760413.6227 -7.4520 -7.4321 LDB: ============= START OF LOAD BALANCING ============== 13307 LDB: ============== END OF LOAD BALANCING =============== 13307 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307 LDB: ============= START OF LOAD BALANCING ============== 13307.3 LDB: Largest compute 7056 load 0.035877 is 18.4% of average load 0.195396 LDB: Average compute 0.004418 is 2.3% of average load 0.195396 LDB: TIME 13307.3 LOAD: AVG 0.195396 MAX 0.215666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 13307.3 LOAD: AVG 0.195396 MAX 0.215666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 13307.3 LOAD: AVG 0.195396 MAX 0.215666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 13307.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13307.3 PRESSURE: 4188400 -481.609 -109.945 112.236 -109.945 -317.783 154.975 112.236 154.975 194.493 GPRESSURE: 4188400 -432.298 -54.6242 160.177 -127.248 -304.403 66.2769 117.716 179.712 222.128 PRESSAVG: 4188400 28.6763 -76.9344 78.765 -76.9344 -41.5683 -7.78101 78.7651 -7.78108 -30.3703 GPRESSAVG: 4188400 29.7478 -75.2487 79.0498 -76.0314 -43.6718 -8.65909 80.7674 -8.30786 -29.0771 TIMING: 4188400 CPU: 13295.2, 0.00320776/step Wall: 13295.2, 0.00320776/step, 0.723173 hours remaining, 239.835938 MB of memory in use. ENERGY: 4188400 4002.6722 20465.0402 14368.2126 239.1013 -202946.7260 2411.7961 0.0000 0.0000 52178.7100 -109281.1936 299.8718 -161459.9036 -108924.5041 299.9892 -201.6328 -171.5242 759768.7273 -14.4208 -14.3337 PRESSURE: 4188600 296.331 49.3005 -21.5738 49.3009 134.507 126.36 -21.5728 126.36 -159.102 GPRESSURE: 4188600 242.964 -15.4023 -54.4597 -7.50475 273.203 150.977 94.0086 150.166 -150.534 PRESSAVG: 4188600 18.6132 -4.84215 -47.8487 -4.84217 -4.94941 28.4262 -47.8486 28.4262 18.3892 GPRESSAVG: 4188600 17.7826 -8.85975 -48.8461 -3.69976 -3.87369 30.533 -48.9783 27.062 18.8538 TIMING: 4188600 CPU: 13295.8, 0.00316366/step Wall: 13295.8, 0.00316366/step, 0.713054 hours remaining, 240.039062 MB of memory in use. ENERGY: 4188600 3964.9079 20530.6481 14432.0119 261.9116 -203032.2444 2355.2005 0.0000 0.0000 52182.7160 -109304.8485 299.8948 -161487.5645 -108938.4306 299.9597 90.5786 121.8774 761271.4717 10.6843 10.9209 PRESSURE: 4188800 -92.3906 -3.63808 209.217 -3.63731 -23.201 -168.406 209.216 -168.407 -20.5632 GPRESSURE: 4188800 -110.101 -72.9536 216.246 25.3835 50.1713 -221.469 127.303 -138.089 -8.27155 PRESSAVG: 4188800 8.71199 -32.3441 44.7279 -32.3441 38.9631 -25.8539 44.7279 -25.8539 18.9895 GPRESSAVG: 4188800 9.34834 -32.758 47.0619 -31.5798 38.587 -26.3115 45.4605 -25.2426 18.091 TIMING: 4188800 CPU: 13296.4, 0.00315211/step Wall: 13296.4, 0.00315211/step, 0.710274 hours remaining, 240.039062 MB of memory in use. ENERGY: 4188800 3895.6479 20537.4573 14431.6243 252.6261 -203393.9190 2508.5051 0.0000 0.0000 52201.5272 -109566.5311 300.0029 -161768.0583 -109201.3588 299.8941 -45.3850 -22.7336 760334.6037 22.2215 22.0088 PRESSURE: 4189000 -11.1733 0.862937 153.583 0.862407 187.819 124.44 153.583 124.44 -24.484 GPRESSURE: 4189000 135.014 68.7985 229.787 0.449635 104.574 102.684 144.413 106.333 -6.96951 PRESSAVG: 4189000 3.52087 -81.4466 11.9684 -81.4466 50.2608 -52.2708 11.9684 -52.2708 13.3167 GPRESSAVG: 4189000 4.59742 -79.4677 10.5316 -82.6034 49.9316 -52.5333 13.9519 -51.2886 12.8566 TIMING: 4189000 CPU: 13297, 0.00313989/step Wall: 13297, 0.00313989/step, 0.707348 hours remaining, 240.039062 MB of memory in use. ENERGY: 4189000 3850.2730 20581.5797 14556.3754 258.6657 -203360.5036 2428.0982 0.0000 0.0000 52146.8510 -109538.6606 299.6887 -161685.5117 -109169.1407 299.7047 50.7204 77.5394 758418.0532 22.3661 22.4619 PRESSURE: 4189200 -247.547 -131.567 -168.164 -131.566 -5.15512 -98.5029 -168.164 -98.5031 -278.107 GPRESSURE: 4189200 -122.074 -61.6244 -151.415 -28.2821 -88.3675 -51.7327 -226.421 -99.2641 -227.28 PRESSAVG: 4189200 -33.5525 -25.5632 35.7823 -25.5632 7.95557 -11.6597 35.7823 -11.6597 1.30572 GPRESSAVG: 4189200 -35.9128 -25.3621 34.8938 -25.1263 7.58366 -13.4168 37.1431 -11.6974 3.34851 TIMING: 4189200 CPU: 13297.7, 0.00315002/step Wall: 13297.7, 0.00315002/step, 0.709455 hours remaining, 240.039062 MB of memory in use. ENERGY: 4189200 3879.8613 20423.2697 14471.0787 229.0969 -203116.5046 2350.9310 0.0000 0.0000 52103.5590 -109658.7080 299.4399 -161762.2670 -109290.1368 299.5128 -176.9365 -145.9072 761438.2340 -8.0971 -8.3269 PRESSURE: 4189400 160.278 9.22751 156.914 9.22715 136.353 -2.58732 156.914 -2.58761 107.818 GPRESSURE: 4189400 170.758 31.9491 39.4153 -65.6724 210.297 -4.60071 132.193 144.069 97.2819 PRESSAVG: 4189400 -12.329 -1.66473 2.93005 -1.66473 6.35073 -3.44411 2.93001 -3.44409 -3.96974 GPRESSAVG: 4189400 -11.1549 -0.568524 3.29463 -4.02515 6.54493 -2.39872 0.550665 -3.61731 -5.5688 TIMING: 4189400 CPU: 13298.3, 0.00315211/step Wall: 13298.3, 0.00315211/step, 0.70975 hours remaining, 240.039062 MB of memory in use. ENERGY: 4189400 3957.8419 20662.1300 14466.8953 256.1405 -203066.6866 2216.8331 0.0000 0.0000 51766.4708 -109740.3749 297.5026 -161506.8457 -109382.5634 299.1419 134.8161 159.4458 758786.1868 -3.3160 -3.3929 PRESSURE: 4189600 215.444 159.433 99.0412 159.433 14.9114 -178.551 99.0411 -178.552 254.105 GPRESSURE: 4189600 356.815 105.272 53.9353 267.717 16.1902 -226.011 146.801 -57.343 189.673 PRESSAVG: 4189600 9.12258 6.18892 30.7965 6.189 -22.935 -50.7819 30.7965 -50.7819 5.37889 GPRESSAVG: 4189600 8.87428 7.43552 30.3736 8.1733 -22.4176 -51.5622 29.8617 -51.2261 5.22492 TIMING: 4189600 CPU: 13298.9, 0.00314398/step Wall: 13298.9, 0.00314398/step, 0.707745 hours remaining, 240.039062 MB of memory in use. ENERGY: 4189600 3977.9769 20575.6377 14439.0605 257.8361 -203453.4641 2548.0307 0.0000 0.0000 51972.0477 -109682.8745 298.6841 -161654.9222 -109333.5481 298.8465 161.4868 187.5595 758140.3437 -2.8112 -2.7728 PRESSURE: 4189800 -165.538 -95.7488 -170.487 -95.749 -134.386 3.25069 -170.487 3.25127 455.998 GPRESSURE: 4189800 -86.4602 -165.901 -132.52 -53.8906 -194.151 -18.3115 -162.156 6.46899 487.297 PRESSAVG: 4189800 -2.84148 -13.5412 -27.4005 -13.5411 22.1368 -57.9798 -27.4006 -57.9798 -17.2546 GPRESSAVG: 4189800 -3.51203 -16.7722 -25.8914 -13.6501 22.1195 -58.1743 -26.3453 -56.7766 -17.0364 TIMING: 4189800 CPU: 13299.6, 0.00313575/step Wall: 13299.6, 0.00313575/step, 0.705717 hours remaining, 240.039062 MB of memory in use. ENERGY: 4189800 3977.4822 20319.6553 14502.4626 240.3170 -203089.3569 2133.7728 0.0000 0.0000 52048.0101 -109867.6570 299.1206 -161915.6670 -109501.5888 298.8314 52.0243 68.8955 759741.3354 0.6803 0.5237 PRESSURE: 4190000 -115.3 -201.777 -55.1769 -201.777 -276.488 -24.8017 -55.177 -24.8021 -456.215 GPRESSURE: 4190000 -50.7907 -88.9904 39.4591 -258.716 -222.97 36.3896 -42.3841 -36.7605 -481.101 PRESSAVG: 4190000 2.7399 -13.8866 23.1851 -13.8866 25.1542 -47.7226 23.1852 -47.7226 27.2413 GPRESSAVG: 4190000 2.61567 -12.33 22.4552 -13.8963 24.8669 -46.4634 23.116 -49.1824 28.3121 TIMING: 4190000 CPU: 13300.2, 0.00313939/step Wall: 13300.2, 0.00313939/step, 0.706363 hours remaining, 240.039062 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: 4190000 3905.1888 20566.6412 14518.4343 250.2065 -203470.2491 2200.1255 0.0000 0.0000 51880.2011 -110149.4517 298.1562 -162029.6527 -109789.1868 298.6754 -282.6679 -251.6206 759160.3353 18.3785 18.5982 PRESSURE: 4190200 -216.29 -46.9482 -43.5526 -46.9478 -31.2494 152.647 -43.5526 152.646 163.635 GPRESSURE: 4190200 -109.686 -63.3883 -6.45944 -10.0269 -106.777 224.945 133.558 61.2051 215.572 PRESSAVG: 4190200 -25.7411 -34.2315 -40.0573 -34.2316 43.5101 36.4738 -40.0573 36.4738 -18.1625 GPRESSAVG: 4190200 -24.7563 -35.895 -39.4405 -31.9172 44.7888 36.1723 -39.9471 36.7478 -20.1429 TIMING: 4190200 CPU: 13300.8, 0.00315685/step Wall: 13300.8, 0.00315685/step, 0.710115 hours remaining, 240.039062 MB of memory in use. ENERGY: 4190200 3972.5689 20285.7157 14469.1331 255.5989 -203686.5802 2366.4624 0.0000 0.0000 52060.7351 -110276.3660 299.1938 -162337.1011 -109907.4384 298.1863 -27.9682 -0.2967 757372.0363 -0.1312 -0.0368 PRESSURE: 4190400 41.22 -107.721 66.1711 -107.721 46.7687 -41.6699 66.17 -41.6697 341.738 GPRESSURE: 4190400 93.5137 -71.1967 -41.091 -35.9162 78.625 -92.9775 100.207 133.298 334.461 PRESSAVG: 4190400 36.488 6.53988 -6.49818 6.53992 -26.2754 17.0098 -6.49823 17.0098 -21.3599 GPRESSAVG: 4190400 36.9803 8.7957 -6.42345 3.98659 -27.5911 16.2002 -8.50001 17.4565 -20.5192 TIMING: 4190400 CPU: 13301.4, 0.00315267/step Wall: 13301.4, 0.00315267/step, 0.709 hours remaining, 240.039062 MB of memory in use. ENERGY: 4190400 3842.6452 20650.8863 14468.7037 234.1460 -203876.7693 2571.8260 0.0000 0.0000 51944.3913 -110164.1708 298.5251 -162108.5621 -109794.1921 298.2067 143.2422 168.8666 761022.1303 -3.7158 -3.7100 PRESSURE: 4190600 -186.311 -90.2723 -58.1783 -90.2728 148.662 -6.70647 -58.1798 -6.70581 -132.943 GPRESSURE: 4190600 -66.3325 -74.6188 -63.9845 -58.0834 129.006 -114.081 -24.3666 43.5576 -141.397 PRESSAVG: 4190600 22.6084 -54.5317 25.6877 -54.5316 -23.9098 4.13833 25.6877 4.13827 -7.50261 GPRESSAVG: 4190600 21.6368 -52.6548 25.9285 -55.3419 -23.6171 3.44113 27.2756 6.14545 -6.38446 TIMING: 4190600 CPU: 13302.1, 0.0031601/step Wall: 13302.1, 0.0031601/step, 0.710497 hours remaining, 240.039062 MB of memory in use. ENERGY: 4190600 4056.2121 20501.3105 14419.6334 251.9554 -203726.7937 2508.0126 0.0000 0.0000 52041.2137 -109948.4561 299.0816 -161989.6698 -109582.3188 298.2065 -56.8641 -26.2411 760431.1944 -2.9347 -2.7883 PRESSURE: 4190800 215.218 -16.1764 -82.1902 -16.1766 75.955 -151.106 -82.1898 -151.106 -116.596 GPRESSURE: 4190800 231.853 36.9532 -56.5015 -12.9875 118.862 -127.913 -80.6109 -101.917 -90.2092 PRESSAVG: 4190800 32.1469 -10.9854 38.762 -10.9855 -38.5691 -46.8652 38.762 -46.8651 -11.5265 GPRESSAVG: 4190800 33.0967 -13.3392 37.9939 -11.7575 -38.1952 -45.4681 38.862 -48.9577 -12.8018 TIMING: 4190800 CPU: 13302.7, 0.00314398/step Wall: 13302.7, 0.00314398/step, 0.706698 hours remaining, 240.039062 MB of memory in use. ENERGY: 4190800 4022.2252 20395.7312 14357.3727 248.0719 -203456.5786 2251.9894 0.0000 0.0000 52245.2828 -109935.9054 300.2544 -162181.1882 -109576.6461 298.8311 58.1926 86.8352 760206.9829 -5.9829 -5.9668 PRESSURE: 4191000 -133.162 103.98 101.485 103.979 37.6262 214.625 101.486 214.626 -71.0988 GPRESSURE: 4191000 -70.3788 26.7428 93.5058 75.5589 3.12313 291.982 140.493 256.165 -28.4011 PRESSAVG: 4191000 22.3314 -64.7784 55.9506 -64.7785 14.546 -18.5414 55.9506 -18.5414 -8.3191 GPRESSAVG: 4191000 21.4816 -64.9668 56.6931 -61.1302 14.2578 -19.0466 55.1639 -17.746 -7.6377 TIMING: 4191000 CPU: 13303.3, 0.00315171/step Wall: 13303.3, 0.00315171/step, 0.70826 hours remaining, 240.039062 MB of memory in use. ENERGY: 4191000 4032.2823 20613.6829 14482.7723 248.6716 -203711.7123 2549.1374 0.0000 0.0000 51978.2725 -109806.8933 298.7198 -161785.1658 -109458.9034 298.9982 -55.5450 -31.8856 760132.7585 9.5194 9.3672 PRESSURE: 4191200 -30.284 99.5245 -141.763 99.5247 -173.567 -33.7767 -141.763 -33.7786 -19.1813 GPRESSURE: 4191200 71.5727 103.607 -76.0576 103.895 -197.684 -39.2069 -83.1122 -129.498 -30.8005 PRESSAVG: 4191200 24.9067 17.7236 24.3241 17.7236 -32.82 -19.2746 24.3242 -19.2746 13.7508 GPRESSAVG: 4191200 23.8378 17.7199 23.4252 15.5756 -32.0929 -18.2183 24.3867 -21.1697 13.5307 TIMING: 4191200 CPU: 13304, 0.00315734/step Wall: 13304, 0.00315734/step, 0.70935 hours remaining, 240.039062 MB of memory in use. ENERGY: 4191200 4010.2464 20404.8343 14437.9978 249.9063 -203356.0690 2328.1278 0.0000 0.0000 52287.5672 -109637.3891 300.4974 -161924.9563 -109277.3613 298.9246 -74.3442 -52.3039 760731.2151 1.9458 1.7585 PRESSURE: 4191400 32.0751 -65.3393 139.696 -65.3399 241.425 54.834 139.696 54.8335 246.712 GPRESSURE: 4191400 147.441 -82.2837 149.214 -114.101 195.95 59.1404 137.822 116.639 257.447 PRESSAVG: 4191400 42.8561 0.309199 -101.373 0.309176 -33.2935 6.28982 -101.373 6.28983 6.49137 GPRESSAVG: 4191400 45.3975 -0.269288 -100.727 1.80758 -35.1629 4.25782 -98.7264 9.12769 6.28278 TIMING: 4191400 CPU: 13304.6, 0.00315625/step Wall: 13304.6, 0.00315625/step, 0.708929 hours remaining, 240.039062 MB of memory in use. ENERGY: 4191400 3959.1651 20559.8492 14538.4202 235.8203 -203378.1423 2483.8477 0.0000 0.0000 51983.5838 -109617.4559 298.7504 -161601.0398 -109244.1585 299.4488 173.4038 200.2792 759816.8076 5.3514 5.5058 PRESSURE: 4191600 -369.545 -263.523 -27.2438 -263.524 -235.824 25.3791 -27.2432 25.3782 -178.421 GPRESSURE: 4191600 -375.592 -294.085 -133.795 -226.875 -211.35 91.4178 -29.6458 100.339 -138.713 PRESSAVG: 4191600 9.35044 -47.5514 -25.6698 -47.5514 22.1269 13.1574 -25.6698 13.1574 -22.1239 GPRESSAVG: 4191600 8.31651 -47.8216 -26.93 -49.7744 22.9449 13.895 -27.4996 12.1064 -22.0789 TIMING: 4191600 CPU: 13305.2, 0.00315449/step Wall: 13305.2, 0.00315449/step, 0.708357 hours remaining, 240.039062 MB of memory in use. ENERGY: 4191600 3992.5486 20631.5819 14480.7753 243.6234 -203203.9311 2308.6323 0.0000 0.0000 52128.7049 -109418.0647 299.5844 -161546.7697 -109047.1228 299.5232 -261.2634 -241.8850 763122.4699 3.1178 3.0608 PRESSURE: 4191800 -173.928 -88.6391 -88.6611 -88.6393 -416.588 50.7128 -88.6614 50.7126 185.088 GPRESSURE: 4191800 -74.1752 -174.492 -101.09 -100.991 -455.782 70.3126 59.4143 -5.59235 206.788 PRESSAVG: 4191800 4.77521 -9.82507 10.4195 -9.82511 4.36585 29.2786 10.4195 29.2785 -27.5372 GPRESSAVG: 4191800 5.73385 -9.74418 10.5008 -8.33561 3.83447 28.9041 10.4772 29.0748 -27.6116 TIMING: 4191800 CPU: 13305.9, 0.00316133/step Wall: 13305.9, 0.00316133/step, 0.709718 hours remaining, 240.039062 MB of memory in use. ENERGY: 4191800 4022.5509 20573.0117 14347.5350 267.6417 -203418.5480 2491.5996 0.0000 0.0000 52178.7951 -109537.4139 299.8723 -161716.2090 -109177.6797 299.4362 -135.1425 -107.7230 762458.0143 -6.1321 -6.0144 PRESSURE: 4192000 -390.698 -4.85664 -67.9811 -4.85698 176.785 115.143 -67.9804 115.143 277.073 GPRESSURE: 4192000 -342.76 95.1861 -52.247 -56.8176 169.255 117.175 -169.336 100.764 317.284 PRESSAVG: 4192000 -13.2358 -35.8056 4.42184 -35.8056 36.8073 14.6735 4.42188 14.6735 -7.97485 GPRESSAVG: 4192000 -12.8011 -34.5547 4.04762 -37.127 36.2964 14.2042 4.80033 13.3934 -7.42921 TIMING: 4192000 CPU: 13306.5, 0.00315691/step Wall: 13306.5, 0.00315691/step, 0.708551 hours remaining, 240.039062 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: 4192000 4064.8262 20519.2408 14432.7839 233.9530 -203545.2461 2517.2800 0.0000 0.0000 51995.0493 -109782.1129 298.8163 -161777.1622 -109418.2979 299.0926 21.0532 47.9267 761891.0051 5.1989 5.3554 PRESSURE: 4192200 368.284 300.623 -81.2503 300.623 -0.116108 -3.71303 -81.2504 -3.7126 248.049 GPRESSURE: 4192200 353.733 290.469 -104.124 278.02 65.1558 84.0847 -78.7896 -8.22189 290.621 PRESSAVG: 4192200 -27.5601 -30.1942 -30.605 -30.1942 -12.0941 -47.7115 -30.605 -47.7114 0.457116 GPRESSAVG: 4192200 -27.5528 -30.4003 -27.9656 -28.6051 -11.9199 -46.187 -30.8698 -46.6123 0.22915 TIMING: 4192200 CPU: 13307.1, 0.00315408/step Wall: 13307.1, 0.00315408/step, 0.707741 hours remaining, 240.039062 MB of memory in use. ENERGY: 4192200 3996.6670 20387.6987 14424.0514 240.4263 -203655.4200 2821.0499 0.0000 0.0000 51841.3074 -109944.2194 297.9327 -161785.5268 -109585.2153 299.3783 205.4057 236.5032 761691.7298 -13.0657 -13.0812 LDB: ============= START OF LOAD BALANCING ============== 13319.6 LDB: ============== END OF LOAD BALANCING =============== 13319.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13319.6 LDB: ============= START OF LOAD BALANCING ============== 13319.9 LDB: Largest compute 7056 load 0.035944 is 18.4% of average load 0.195454 LDB: Average compute 0.004414 is 2.3% of average load 0.195454 LDB: TIME 13319.9 LOAD: AVG 0.195454 MAX 0.215662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 13319.9 LOAD: AVG 0.195454 MAX 0.215662 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 13319.9 LOAD: AVG 0.195454 MAX 0.215662 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 13319.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13319.9 PRESSURE: 4192400 -30.7137 45.2884 75.5662 45.2892 306.816 -25.1752 75.5664 -25.1759 14.2442 GPRESSURE: 4192400 -29.73 -146.375 11.4834 82.2665 321.978 -69.209 132.362 -56.4568 58.2041 PRESSAVG: 4192400 -2.74684 38.9104 -14.8927 38.9103 25.1957 -30.7322 -14.8927 -30.7322 -9.20585 GPRESSAVG: 4192400 -3.29467 38.0479 -15.0258 37.9436 24.9187 -32.5138 -16.0998 -31.6781 -8.76251 TIMING: 4192400 CPU: 13307.8, 0.00323775/step Wall: 13307.8, 0.00323775/step, 0.726336 hours remaining, 240.093750 MB of memory in use. ENERGY: 4192400 3932.7312 20482.4966 14510.6608 244.5961 -203529.2405 2436.1565 0.0000 0.0000 51861.8346 -110060.7646 298.0507 -161922.5992 -109693.0541 298.6368 96.7822 116.8174 760732.6573 4.4143 4.2872 PRESSURE: 4192600 116.162 102.318 -134.887 102.317 159.512 -91.3314 -134.887 -91.3316 -68.7981 GPRESSURE: 4192600 176.163 100.023 -157.052 73.935 116.824 17.7107 -69.0045 -62.6672 -6.70668 PRESSAVG: 4192600 -23.0998 -44.5514 -13.8797 -44.5515 18.3368 -33.9254 -13.8798 -33.9255 27.2021 GPRESSAVG: 4192600 -24.6495 -42.6553 -14.636 -44.9521 19.0633 -32.7582 -13.9468 -31.0566 27.6649 TIMING: 4192600 CPU: 13308.4, 0.00315416/step Wall: 13308.4, 0.00315416/step, 0.707408 hours remaining, 240.093750 MB of memory in use. ENERGY: 4192600 3979.3938 20537.5804 14490.4297 254.1234 -203568.8622 2347.9876 0.0000 0.0000 51956.0465 -110003.3009 298.5921 -161959.3473 -109645.8286 298.8227 68.9586 95.4268 761854.9523 7.4797 7.3596 PRESSURE: 4192800 71.4429 137.049 -80.5265 137.049 -201.58 -21.8515 -80.5273 -21.8503 -218.577 GPRESSURE: 4192800 89.7253 178.755 -128.016 187.463 -171.93 -44.0921 28.5915 51.4268 -184.974 PRESSAVG: 4192800 -28.8657 14.8632 14.4286 14.8632 26.3939 -3.14561 14.4286 -3.14556 -5.61633 GPRESSAVG: 4192800 -27.0733 14.4604 14.2722 15.4847 24.9386 -2.38466 16.3086 -3.81753 -5.56438 TIMING: 4192800 CPU: 13309, 0.00313978/step Wall: 13309, 0.00313978/step, 0.704008 hours remaining, 240.093750 MB of memory in use. ENERGY: 4192800 3929.5626 20548.2044 14493.1352 259.6874 -203456.4560 2412.3936 0.0000 0.0000 51940.4886 -109872.9842 298.5027 -161813.4728 -109498.6100 298.3868 -116.2380 -89.0595 761726.9459 -2.6961 -2.5663 PRESSURE: 4193000 185.802 -16.5479 5.15703 -16.5474 96.9221 78.2495 5.15605 78.2491 242.407 GPRESSURE: 4193000 283.197 -20.3981 -39.3616 58.7973 80.0447 67.139 -1.24109 -65.8112 244.694 PRESSAVG: 4193000 13.5256 48.7131 44.2815 48.7131 5.47462 7.67168 44.2815 7.67173 32.2264 GPRESSAVG: 4193000 13.5349 48.585 44.7724 50.2925 6.44842 6.15601 43.9024 7.36929 31.5481 TIMING: 4193000 CPU: 13309.7, 0.00315301/step Wall: 13309.7, 0.00315301/step, 0.7068 hours remaining, 240.093750 MB of memory in use. ENERGY: 4193000 4069.7697 20606.0517 14391.3197 240.7444 -203513.5339 2394.3721 0.0000 0.0000 52112.3491 -109698.9272 299.4904 -161811.2763 -109337.7791 299.1980 175.0438 202.6452 758848.9446 17.0755 17.1771 PRESSURE: 4193200 -16.3542 -217.574 212.131 -217.574 72.4523 -11.6991 212.131 -11.6985 193.244 GPRESSURE: 4193200 -41.13 -229.258 230.207 -201.82 162.126 -57.6453 245.663 -51.5031 228.736 PRESSAVG: 4193200 55.8694 -22.4871 36.6229 -22.4871 -24.6811 -44.2394 36.6229 -44.2394 -7.83216 GPRESSAVG: 4193200 55.5083 -23.3931 37.1586 -23.629 -25.3206 -42.3958 37.2001 -47.7716 -6.88423 TIMING: 4193200 CPU: 13310.3, 0.00314104/step Wall: 13310.3, 0.00314104/step, 0.703942 hours remaining, 240.093750 MB of memory in use. ENERGY: 4193200 4030.9906 20623.5873 14377.4029 253.3871 -203395.7109 2370.3761 0.0000 0.0000 52017.4132 -109722.5537 298.9448 -161739.9669 -109357.6558 299.4145 83.1140 116.5772 758794.1861 7.7854 7.7678 PRESSURE: 4193400 142.61 -50.5839 163.419 -50.5846 4.89437 -185.756 163.42 -185.758 383.545 GPRESSURE: 4193400 190.143 -26.9639 223.217 -66.9858 67.3856 -218.649 174.967 -69.3571 381.97 PRESSAVG: 4193400 -8.93979 21.0858 31.217 21.0858 21.1074 -58.7822 31.2171 -58.7823 -15.1108 GPRESSAVG: 4193400 -9.21532 21.5146 29.8208 23.5271 21.9243 -58.5278 30.7352 -54.5457 -15.6311 TIMING: 4193400 CPU: 13310.9, 0.00314171/step Wall: 13310.9, 0.00314171/step, 0.703917 hours remaining, 240.093750 MB of memory in use. ENERGY: 4193400 3883.4253 20625.3272 14422.0850 244.4946 -203854.4548 2626.8356 0.0000 0.0000 52360.4845 -109691.8026 300.9164 -162052.2871 -109319.2990 299.5401 177.0165 213.1661 759470.9968 -0.9811 -0.9740 PRESSURE: 4193600 -129.983 17.4923 -123.044 17.492 -171.248 -90.6316 -123.044 -90.6308 -160.367 GPRESSURE: 4193600 -93.8432 -14.6074 -215.824 -50.0011 -126.247 -57.7475 -129.403 -40.8912 -148.336 PRESSAVG: 4193600 8.86067 3.56509 -28.402 3.56507 -19.7989 -36.0616 -28.402 -36.0616 6.23373 GPRESSAVG: 4193600 9.31229 2.26978 -28.2756 4.42142 -20.9198 -37.6446 -29.3363 -36.8419 6.74065 TIMING: 4193600 CPU: 13311.5, 0.00313165/step Wall: 13311.5, 0.00313165/step, 0.70149 hours remaining, 240.093750 MB of memory in use. ENERGY: 4193600 4030.7591 20506.2287 14438.0181 251.4937 -203645.6411 2527.0998 0.0000 0.0000 52031.9214 -109860.1203 299.0282 -161892.0416 -109497.7916 299.0233 -153.8657 -122.8088 761290.5826 -1.5682 -1.6223 PRESSURE: 4193800 -57.447 -106.812 -234.81 -106.812 46.4213 9.2312 -234.811 9.23183 -111.309 GPRESSURE: 4193800 -12.2268 -141.021 -201.038 -50.8506 58.5269 21.4648 -143.428 -60.9494 -108.914 PRESSAVG: 4193800 7.19971 -29.5599 -39.2947 -29.5599 21.2858 -21.9919 -39.2947 -21.9919 9.19578 GPRESSAVG: 4193800 7.64405 -28.0134 -36.8929 -30.6542 21.9036 -20.5028 -38.07 -23.1507 8.10077 TIMING: 4193800 CPU: 13312.2, 0.00316615/step Wall: 13312.2, 0.00316615/step, 0.709042 hours remaining, 240.093750 MB of memory in use. ENERGY: 4193800 3927.0673 20564.2207 14523.3916 228.3496 -203781.2407 2378.1898 0.0000 0.0000 52280.3265 -109879.6951 300.4558 -162160.0217 -109507.4649 299.2140 -40.7784 -20.8711 760072.6327 12.5604 12.5495 PRESSURE: 4194000 -101.869 191.713 108.731 191.712 -290.22 -214.406 108.731 -214.406 -458.274 GPRESSURE: 4194000 -74.5139 198.323 72.1499 323.163 -252.129 -197.846 69.4137 -253.169 -457.399 PRESSAVG: 4194000 39.7211 6.52917 -14.6569 6.52916 -81.8534 18.2947 -14.6569 18.2948 -10.7219 GPRESSAVG: 4194000 39.5897 6.65188 -17.7949 3.60835 -83.2115 18.8873 -15.3699 18.3808 -9.67349 TIMING: 4194000 CPU: 13312.8, 0.0031579/step Wall: 13312.8, 0.0031579/step, 0.707019 hours remaining, 240.093750 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: 4194000 4006.4197 20587.6925 14441.3661 245.8514 -203404.9984 2216.3880 0.0000 0.0000 52111.7063 -109795.5744 299.4867 -161907.2807 -109425.4516 299.2915 -283.4545 -261.3475 761951.0641 -17.6181 -17.7651 PRESSURE: 4194200 100.173 77.9249 253.245 77.9255 -75.6852 18.5488 253.245 18.548 421.821 GPRESSURE: 4194200 119.279 73.3307 259.715 108.041 1.62019 94.7918 96.9485 -64.6838 416.725 PRESSAVG: 4194200 1.78923 29.9134 -10.7867 29.9134 4.59261 21.8093 -10.7867 21.8093 -19.5331 GPRESSAVG: 4194200 0.748953 30.6221 -9.17135 30.143 5.78616 21.539 -12.5172 22.1001 -19.7719 TIMING: 4194200 CPU: 13313.4, 0.00313517/step Wall: 13313.4, 0.00313517/step, 0.701755 hours remaining, 240.093750 MB of memory in use. ENERGY: 4194200 3940.1724 20663.2343 14446.2438 248.3751 -203976.3093 2740.6219 0.0000 0.0000 52007.8600 -109929.8017 298.8899 -161937.6617 -109561.3572 299.4290 148.7697 179.2084 759999.3222 -4.3837 -4.4123 PRESSURE: 4194400 -3.41813 34.3621 -112.942 34.3621 -166.948 114.491 -112.942 114.491 20.5904 GPRESSURE: 4194400 63.9452 -30.3398 -166.794 39.0813 -102.755 166.555 108.425 140.717 -6.85138 PRESSAVG: 4194400 34.4955 -4.3485 0.156456 -4.34857 -12.1916 32.7152 0.156495 32.7152 -8.24185 GPRESSAVG: 4194400 35.986 -4.51492 0.251209 -5.00009 -13.0647 30.0173 -0.846028 32.9689 -9.07226 TIMING: 4194400 CPU: 13314.1, 0.00312595/step Wall: 13314.1, 0.00312595/step, 0.699518 hours remaining, 240.093750 MB of memory in use. ENERGY: 4194400 4069.3788 20603.2311 14517.6804 244.4099 -203805.3709 2699.2774 0.0000 0.0000 51848.2143 -109823.1789 297.9724 -161671.3932 -109455.9683 299.7487 -49.9253 -15.2204 759677.3455 4.6874 4.6164 PRESSURE: 4194600 -92.0394 -39.3572 -22.4713 -39.3567 -569.951 -48.6431 -22.4704 -48.6443 -478.882 GPRESSURE: 4194600 -80.9775 -52.6537 -29.6298 18.8912 -454.556 -97.4815 136.46 -75.0284 -506.141 PRESSAVG: 4194600 27.3286 1.79828 9.23924 1.79831 26.8818 18.0747 9.23929 18.0747 14.6679 GPRESSAVG: 4194600 27.1442 -1.18971 9.02771 4.35272 26.3805 20.7789 13.0693 16.9417 15.8229 TIMING: 4194600 CPU: 13314.7, 0.00313386/step Wall: 13314.7, 0.00313386/step, 0.701113 hours remaining, 240.093750 MB of memory in use. ENERGY: 4194600 3962.3524 20491.0762 14378.4124 239.7129 -203707.0480 2542.4951 0.0000 0.0000 52047.1309 -110045.8681 299.1156 -162092.9990 -109678.7517 298.9218 -380.2909 -347.2248 761112.4373 22.9595 23.1159 PRESSURE: 4194800 22.6123 -23.3554 152.401 -23.3546 -290.313 185.858 152.401 185.858 142.116 GPRESSURE: 4194800 47.1661 -40.4524 132.267 55.0177 -205.784 208.18 143.288 324.475 116.418 PRESSAVG: 4194800 28.6864 3.15854 13.4651 3.15856 -88.8387 0.362986 13.4651 0.362966 9.16463 GPRESSAVG: 4194800 28.0163 4.7363 14.1893 3.28067 -88.209 -1.52567 11.5117 2.23442 9.39578 TIMING: 4194800 CPU: 13315.3, 0.00313248/step Wall: 13315.3, 0.00313248/step, 0.700632 hours remaining, 240.093750 MB of memory in use. ENERGY: 4194800 3975.0029 20464.6905 14391.9926 248.1086 -203592.2981 2398.2657 0.0000 0.0000 51931.0330 -110183.2048 298.4484 -162114.2378 -109817.1542 298.4374 -41.8615 -14.0666 761274.2821 -16.9959 -16.9323 PRESSURE: 4195000 -443.114 -239.332 -35.9127 -239.332 -522.159 273.254 -35.9123 273.253 20.1609 GPRESSURE: 4195000 -317.623 -260.519 96.9985 -119.672 -589.189 159.749 41.9556 237.838 49.8593 PRESSAVG: 4195000 53.5125 -6.16059 71.4781 -6.16051 -58.0048 -28.3658 71.4781 -28.3657 -30.6484 GPRESSAVG: 4195000 54.6639 -5.33408 71.145 -8.16133 -58.4515 -27.2894 72.8199 -31.0144 -31.9114 TIMING: 4195000 CPU: 13315.9, 0.00315369/step Wall: 13315.9, 0.00315369/step, 0.7052 hours remaining, 240.093750 MB of memory in use. ENERGY: 4195000 4058.5098 20362.5437 14457.5327 252.5358 -204050.8245 2604.5536 0.0000 0.0000 52113.7098 -110201.4390 299.4982 -162315.1489 -109824.5663 298.4433 -315.0372 -285.6509 760463.2186 -11.7136 -11.8997 PRESSURE: 4195200 -13.1734 -47.6633 -106.815 -47.6643 54.1384 -48.2394 -106.814 -48.2397 -236.566 GPRESSURE: 4195200 -69.2492 59.9739 -70.1059 -56.5318 115.554 -3.73258 -263.53 -0.0852758 -167.749 PRESSAVG: 4195200 46.2227 -10.6472 41.5259 -10.6472 -35.6295 -47.8812 41.526 -47.8812 -10.694 GPRESSAVG: 4195200 45.6805 -8.36239 41.8986 -9.2784 -35.3741 -48.3621 40.3846 -46.6993 -10.4461 TIMING: 4195200 CPU: 13316.6, 0.00314397/step Wall: 13316.6, 0.00314397/step, 0.702852 hours remaining, 240.093750 MB of memory in use. ENERGY: 4195200 4020.7386 20593.9121 14432.2154 241.2214 -203960.0498 2604.1350 0.0000 0.0000 51938.7443 -110129.0830 298.4927 -162067.8273 -109781.7536 298.4432 -65.2003 -40.4814 760530.6601 -0.0336 -0.0466 PRESSURE: 4195400 230.222 84.7446 -98.3748 84.7452 145.77 -91.9388 -98.3746 -91.9387 136.492 GPRESSURE: 4195400 225.06 95.4083 -108.688 145.181 220.602 -113.382 -64.2073 46.256 148.503 PRESSAVG: 4195400 -16.4672 0.141263 -0.757318 0.141278 46.546 -34.1228 -0.757398 -34.1228 17.2978 GPRESSAVG: 4195400 -15.1864 -3.46716 -1.506 -0.842233 45.8851 -34.4145 -0.715063 -35.8666 17.0925 TIMING: 4195400 CPU: 13317.2, 0.00313568/step Wall: 13317.2, 0.00313568/step, 0.700824 hours remaining, 240.093750 MB of memory in use. ENERGY: 4195400 3996.3732 20407.8588 14421.9849 253.9652 -203310.9924 2338.1952 0.0000 0.0000 51821.8855 -110070.7296 297.8211 -161892.6152 -109713.1013 298.3464 170.8279 198.0550 760091.0002 15.7922 15.9304 PRESSURE: 4195600 -121.276 -47.5399 119.671 -47.5398 209.309 67.5542 119.671 67.5539 368.806 GPRESSURE: 4195600 -14.1319 -53.2861 153.101 -38.0295 209.176 74.7928 77.1595 -32.3846 329.619 PRESSAVG: 4195600 7.17317 2.07972 16.1554 2.07969 10.8043 -39.6175 16.1554 -39.6176 0.677751 GPRESSAVG: 4195600 6.88336 4.14946 16.1605 0.574418 10.9652 -39.3869 17.6077 -38.0399 0.861624 TIMING: 4195600 CPU: 13317.8, 0.00313305/step Wall: 13317.8, 0.00313305/step, 0.700062 hours remaining, 240.093750 MB of memory in use. ENERGY: 4195600 4003.5153 20486.5536 14432.9012 255.4033 -203969.8694 2618.7714 0.0000 0.0000 52001.0866 -110171.6380 298.8510 -162172.7246 -109809.3140 298.0165 152.2797 174.8877 759899.5017 6.2184 6.2367 PRESSURE: 4195800 125.056 25.0586 -267.869 25.0589 150.21 -15.5893 -267.87 -15.5888 175.724 GPRESSURE: 4195800 148.395 70.6253 -246.537 -32.823 208.904 43.5315 -151.933 -78.8807 166.087 PRESSAVG: 4195800 -34.7228 46.0145 11.9973 46.0145 63.5726 -11.6835 11.9974 -11.6835 8.19327 GPRESSAVG: 4195800 -35.1553 44.3397 13.1804 48.6029 63.8389 -10.5071 8.83116 -12.7075 7.98819 TIMING: 4195800 CPU: 13318.5, 0.00313055/step Wall: 13318.5, 0.00313055/step, 0.69933 hours remaining, 240.093750 MB of memory in use. ENERGY: 4195800 3912.8190 20334.7582 14485.8614 261.6631 -203509.3809 2574.4873 0.0000 0.0000 51844.5746 -110095.2172 297.9515 -161939.7918 -109727.3362 298.1692 150.3298 174.4620 760776.4314 12.3477 12.2239 PRESSURE: 4196000 -276.083 68.6755 44.125 68.6748 -350.867 -10.095 44.1257 -10.0954 -217.87 GPRESSURE: 4196000 -269.205 19.1531 166.718 -11.7618 -323.295 -38.1767 9.26612 75.0499 -151.765 PRESSAVG: 4196000 -20.4576 1.66024 21.9288 1.66027 14.6504 -23.0632 21.9289 -23.0632 36.1651 GPRESSAVG: 4196000 -19.4015 4.31322 19.3816 -1.01936 14.137 -24.7396 24.8042 -23.5238 35.9162 TIMING: 4196000 CPU: 13319.1, 0.00312969/step Wall: 13319.1, 0.00312969/step, 0.698964 hours remaining, 240.093750 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: 4196000 4069.3609 20333.2259 14475.3235 236.4572 -203422.2244 2282.6957 0.0000 0.0000 52021.6494 -110003.5117 298.9691 -162025.1611 -109639.5932 298.8022 -281.6069 -248.0882 760874.0140 10.1193 10.2172 PRESSURE: 4196200 460.144 39.0377 70.1491 39.0376 -192.345 -124.96 70.1484 -124.96 385.583 GPRESSURE: 4196200 432.398 70.6596 60.7521 107.656 -119.898 -112.387 -14.0705 -195.58 442.188 PRESSAVG: 4196200 29.7564 -0.337089 13.573 -0.337175 -35.957 -35.6503 13.5729 -35.6502 11.3779 GPRESSAVG: 4196200 29.7818 -4.97824 15.9599 3.70201 -35.5329 -35.6909 11.2984 -34.7923 11.4319 TIMING: 4196200 CPU: 13319.7, 0.00314993/step Wall: 13319.7, 0.00314993/step, 0.703309 hours remaining, 240.093750 MB of memory in use. ENERGY: 4196200 3963.9703 20386.6174 14474.6845 246.5035 -204119.7316 2981.7429 0.0000 0.0000 51981.2128 -110085.0002 298.7367 -162066.2130 -109727.2938 298.8740 217.7939 251.5627 760352.5938 1.7258 1.8936 LDB: ============= START OF LOAD BALANCING ============== 13332.2 LDB: ============== END OF LOAD BALANCING =============== 13332.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13332.2 LDB: ============= START OF LOAD BALANCING ============== 13332.5 LDB: Largest compute 7056 load 0.037825 is 19.4% of average load 0.195424 LDB: Average compute 0.004406 is 2.3% of average load 0.195424 LDB: TIME 13332.5 LOAD: AVG 0.195424 MAX 0.213139 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.148 MB LDB: TIME 13332.5 LOAD: AVG 0.195424 MAX 0.213139 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.355 MB LDB: TIME 13332.5 LOAD: AVG 0.195424 MAX 0.213139 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.355 MB LDB: ============== END OF LOAD BALANCING =============== 13332.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13332.5 PRESSURE: 4196400 -282.682 -101.178 191.217 -101.177 39.8368 -35.3926 191.216 -35.3926 46.6391 GPRESSURE: 4196400 -289.152 10.5394 199.067 -99.5805 44.4666 13.9875 174.827 -110.918 144.958 PRESSAVG: 4196400 8.17394 -1.43001 -5.50605 -1.42999 -20.6185 9.99772 -5.506 9.99767 9.89877 GPRESSAVG: 4196400 6.98898 2.26202 -5.67761 -2.48115 -21.1104 10.508 -6.14567 8.91626 11.1174 TIMING: 4196400 CPU: 13320.4, 0.00320574/step Wall: 13320.4, 0.00320574/step, 0.715593 hours remaining, 240.937500 MB of memory in use. ENERGY: 4196400 3947.4721 20340.6801 14386.3990 236.7386 -203549.0748 2617.7126 0.0000 0.0000 52017.5468 -110002.5256 298.9456 -162020.0724 -109640.2586 298.5976 -65.4021 -33.2424 761167.9002 -0.8486 -1.0014 PRESSURE: 4196600 -456.181 -108.738 256.016 -108.738 -215.884 -89.995 256.017 -89.9965 -476.286 GPRESSURE: 4196600 -380.133 -151.462 182.183 -39.3219 -217.439 -122.738 230.887 49.3431 -463.593 PRESSAVG: 4196600 -14.0568 -26.4595 -22.2557 -26.4594 22.6063 11.3949 -22.2556 11.395 1.87864 GPRESSAVG: 4196600 -14.0001 -25.2443 -22.2827 -25.5771 23.603 11.2451 -22.2889 12.9998 0.626255 TIMING: 4196600 CPU: 13321, 0.00313397/step Wall: 13321, 0.00313397/step, 0.699397 hours remaining, 240.937500 MB of memory in use. ENERGY: 4196600 4003.9861 20413.6680 14497.5357 244.2866 -203287.9710 2212.1309 0.0000 0.0000 52084.8891 -109831.4745 299.3326 -161916.3636 -109460.5267 299.2629 -382.7840 -353.7216 760379.4996 3.4761 3.4097 PRESSURE: 4196800 318.093 65.2056 167.196 65.2052 -121.484 49.9088 167.196 49.9095 302.786 GPRESSURE: 4196800 334.886 86.3442 137.595 41.5755 -7.81901 -27.0887 212.556 20.2953 268.636 PRESSAVG: 4196800 21.7618 -38.8622 -26.9337 -38.8622 -34.2646 10.2267 -26.9338 10.2267 11.1448 GPRESSAVG: 4196800 22.1262 -41.9112 -27.8931 -40.6984 -34.7957 9.59584 -24.3834 12.136 11.7157 TIMING: 4196800 CPU: 13321.6, 0.00314207/step Wall: 13321.6, 0.00314207/step, 0.70103 hours remaining, 240.937500 MB of memory in use. ENERGY: 4196800 4011.6010 20459.2879 14434.4743 239.0869 -204056.0400 2736.4055 0.0000 0.0000 52226.5345 -109948.6501 300.1466 -162175.1845 -109580.3359 299.2283 166.4652 198.5676 759204.1126 -0.4527 -0.3179 PRESSURE: 4197000 -221.854 -276.93 -12.4034 -276.93 -39.3939 -5.13057 -12.4047 -5.13103 -196.02 GPRESSURE: 4197000 -246.866 -257.835 -68.5318 -182.864 22.324 13.3921 70.9163 -145.642 -133.296 PRESSAVG: 4197000 18.2762 -3.74454 10.7981 -3.74455 11.9952 -42.4927 10.7981 -42.4926 -14.6694 GPRESSAVG: 4197000 18.6857 -3.3949 10.1768 -4.53249 12.0814 -41.5861 9.30449 -45.5326 -14.9645 TIMING: 4197000 CPU: 13322.2, 0.00315125/step Wall: 13322.2, 0.00315125/step, 0.702904 hours remaining, 240.937500 MB of memory in use. ENERGY: 4197000 3974.7196 20368.2003 14413.3764 247.8273 -203293.4718 2360.9252 0.0000 0.0000 52101.3430 -109827.0800 299.4271 -161928.4231 -109456.3534 299.1614 -152.4226 -119.2794 759748.3042 5.2007 5.2675 PRESSURE: 4197200 -2.70497 223.627 -31.8516 223.627 54.4664 92.6114 -31.8519 92.6119 511.612 GPRESSURE: 4197200 19.6213 138.002 7.32889 184.397 118.301 140.322 108.981 -124.768 516.586 PRESSAVG: 4197200 -36.9147 -1.29888 -41.3037 -1.29891 59.7751 -29.0095 -41.3037 -29.0095 7.51393 GPRESSAVG: 4197200 -36.2681 -1.04118 -41.8054 -1.0702 58.709 -29.1011 -40.2188 -29.4371 8.41496 TIMING: 4197200 CPU: 13322.9, 0.00314182/step Wall: 13322.9, 0.00314182/step, 0.700627 hours remaining, 240.937500 MB of memory in use. ENERGY: 4197200 3919.5405 20404.1442 14440.6021 245.4563 -203853.0130 2680.7915 0.0000 0.0000 52331.6676 -109830.8109 300.7508 -162162.4785 -109459.6268 299.2610 187.7912 218.1693 758783.8814 10.1248 10.2853 PRESSURE: 4197400 -16.2439 -113.321 22.7439 -113.32 44.7748 -148.556 22.7444 -148.556 372.506 GPRESSURE: 4197400 8.96012 -108.987 62.4927 34.9857 129.684 -192.152 52.7452 -231.523 341.876 PRESSAVG: 4197400 -26.2183 47.9769 20.827 47.9768 33.6032 -26.4145 20.827 -26.4145 -16.8006 GPRESSAVG: 4197400 -27.2538 47.4491 21.0135 48.6357 34.7916 -26.995 20.1179 -28.0722 -17.4705 TIMING: 4197400 CPU: 13323.5, 0.00313201/step Wall: 13323.5, 0.00313201/step, 0.698265 hours remaining, 240.937500 MB of memory in use. ENERGY: 4197400 3965.2909 20545.4433 14441.6211 242.9882 -203636.7663 2543.1578 0.0000 0.0000 52216.5123 -109681.7526 300.0890 -161898.2650 -109323.0613 299.5871 133.6789 160.1736 759307.2960 -3.1386 -3.3109 PRESSURE: 4197600 14.2259 267.065 -274.727 267.065 339.446 -18.8602 -274.726 -18.8612 95.2007 GPRESSURE: 4197600 157.474 130.195 -272.183 128.262 242.667 25.5583 -172.797 -43.4812 144.625 PRESSAVG: 4197600 -29.2892 -21.5903 -30.2277 -21.5903 47.2155 -26.9012 -30.2277 -26.9012 7.55017 GPRESSAVG: 4197600 -28.3209 -18.5934 -28.087 -24.8107 47.0816 -26.2517 -33.1039 -25.1847 7.2687 TIMING: 4197600 CPU: 13324.1, 0.00312917/step Wall: 13324.1, 0.00312917/step, 0.697457 hours remaining, 240.937500 MB of memory in use. ENERGY: 4197600 3962.9540 20604.2545 14473.1047 253.2915 -203901.3231 2810.7141 0.0000 0.0000 52502.4020 -109294.6022 301.7320 -161797.0042 -108924.3537 300.2929 149.6244 181.5886 759283.2206 8.4921 8.6765 PRESSURE: 4197800 -149.109 50.6392 125.845 50.6383 -526.86 -65.9241 125.846 -65.9247 -150.223 GPRESSURE: 4197800 -109.78 49.9034 170.397 97.1505 -470.353 -28.0001 -47.0142 -223.781 -165.039 PRESSAVG: 4197800 -49.93 22.2312 -13.112 22.2312 14.385 -9.4674 -13.112 -9.46735 9.50234 GPRESSAVG: 4197800 -48.2403 18.95 -13.6334 26.2948 14.409 -10.8414 -10.4747 -7.75171 8.37815 TIMING: 4197800 CPU: 13324.7, 0.00312353/step Wall: 13324.7, 0.00312353/step, 0.696027 hours remaining, 240.937500 MB of memory in use. ENERGY: 4197800 4035.4646 20615.5747 14419.4625 241.9586 -203050.3596 2281.3254 0.0000 0.0000 52053.1901 -109403.3837 299.1504 -161456.5738 -109054.0466 300.2709 -275.3975 -248.3906 762186.7543 -8.6809 -8.4844 PRESSURE: 4198000 -128.55 50.6534 82.8537 50.6533 -264.411 33.666 82.854 33.6667 -348.552 GPRESSURE: 4198000 -143.754 54.9211 55.0621 153.644 -195.427 -4.35822 35.312 30.2749 -331.711 PRESSAVG: 4198000 21.3102 -27.5773 -40.9337 -27.5773 -8.77755 -16.8399 -40.9336 -16.8399 4.93106 GPRESSAVG: 4198000 19.3211 -25.7151 -41.3486 -27.8331 -9.20377 -17.4537 -40.2984 -18.967 7.46986 TIMING: 4198000 CPU: 13325.4, 0.0031094/step Wall: 13325.4, 0.0031094/step, 0.692705 hours remaining, 240.937500 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: 4198000 4020.7236 20646.2814 14423.9770 263.8719 -203469.2030 2368.9447 0.0000 0.0000 52270.5411 -109474.8633 300.3995 -161745.4044 -109100.9728 300.3248 -247.1709 -223.6309 761637.2698 5.8212 5.8624 PRESSURE: 4198200 170.228 -76.7929 -155.755 -76.794 -145.785 -125.961 -155.756 -125.962 -19.2979 GPRESSURE: 4198200 167.372 -198.116 -207.534 63.8953 -50.5529 -228.757 -62.5084 44.9126 -18.6021 PRESSAVG: 4198200 -15.5655 4.22365 -52.1438 4.22368 22.8272 -17.951 -52.1438 -17.9511 2.23545 GPRESSAVG: 4198200 -15.6431 3.5118 -52.6582 3.13767 23.5274 -16.3823 -53.8929 -16.5867 1.80582 TIMING: 4198200 CPU: 13326, 0.003131/step Wall: 13326, 0.003131/step, 0.697342 hours remaining, 240.937500 MB of memory in use. ENERGY: 4198200 4013.7024 20749.3650 14485.9190 256.7456 -203778.0550 2768.1474 0.0000 0.0000 51959.3690 -109544.8066 298.6112 -161504.1756 -109195.3660 300.1487 1.7147 32.7391 760243.2082 3.1657 3.2301 PRESSURE: 4198400 -174.516 41.4664 -271.354 41.4665 -25.7562 84.7377 -271.354 84.7365 23.7106 GPRESSURE: 4198400 -101.55 51.5194 -237.395 -34.3922 6.64801 77.7666 -186.259 87.2949 -2.76538 PRESSAVG: 4198400 -23.7539 13.1621 -46.2624 13.1622 8.52601 -7.05798 -46.2624 -7.05809 19.6021 GPRESSAVG: 4198400 -21.9407 13.7742 -44.9261 13.0386 8.08048 -6.4798 -44.9851 -8.33117 19.0018 TIMING: 4198400 CPU: 13326.6, 0.00313899/step Wall: 13326.6, 0.00313899/step, 0.698948 hours remaining, 240.937500 MB of memory in use. ENERGY: 4198400 3908.9425 20730.1119 14413.6607 255.9242 -203707.9196 2541.6088 0.0000 0.0000 52289.6153 -109568.0561 300.5091 -161857.6715 -109199.6783 300.0843 -58.8538 -32.5559 759492.9772 1.4581 1.7139 PRESSURE: 4198600 3.06129 -91.082 -19.3157 -91.0819 17.6635 105.879 -19.3165 105.879 -113.38 GPRESSURE: 4198600 83.7161 -118.8 59.7952 -24.0477 30.669 154.096 -38.9543 46.2228 -113.585 PRESSAVG: 4198600 16.0156 3.915 -44.1541 3.91495 0.805847 -27.2383 -44.1541 -27.2383 10.3595 GPRESSAVG: 4198600 17.1315 3.7414 -44.4033 4.46127 1.01429 -28.3969 -43.2166 -27.9127 8.92072 TIMING: 4198600 CPU: 13327.2, 0.00311774/step Wall: 13327.2, 0.00311774/step, 0.694044 hours remaining, 240.937500 MB of memory in use. ENERGY: 4198600 3939.3118 20643.5121 14465.7781 255.4920 -203384.8121 2337.3791 0.0000 0.0000 52057.2758 -109686.0632 299.1739 -161743.3390 -109328.5966 300.0504 -30.8850 0.2669 759458.2707 9.0603 9.0222 PRESSURE: 4198800 -10.1507 -13.1851 -121.239 -13.1856 -169.771 271.346 -121.239 271.345 -16.1252 GPRESSURE: 4198800 -86.6326 118.856 -80.632 -12.9845 8.92123 204.376 -97.5793 279.143 -35.6853 PRESSAVG: 4198800 5.48177 9.98353 33.045 9.98351 -25.6678 -37.9195 33.045 -37.9195 4.88584 GPRESSAVG: 4198800 2.51009 10.2754 32.3149 8.97016 -24.7583 -38.0355 32.2331 -38.2043 6.22211 TIMING: 4198800 CPU: 13327.9, 0.00310793/step Wall: 13327.9, 0.00310793/step, 0.691688 hours remaining, 240.937500 MB of memory in use. ENERGY: 4198800 4024.3386 20510.7608 14433.6881 249.7538 -203538.0814 2606.1626 0.0000 0.0000 52100.5858 -109612.7918 299.4228 -161713.3776 -109247.5758 299.6088 -65.3489 -37.7989 759394.2925 -5.1000 -5.3420 PRESSURE: 4199000 -85.0209 116.076 -17.4651 116.077 -318.346 -14.8951 -17.4653 -14.8956 -245.609 GPRESSURE: 4199000 -35.7491 121.465 46.4752 179.054 -318.173 -34.4365 -56.1798 -93.083 -189.457 PRESSAVG: 4199000 12.0458 4.59252 -43.4086 4.59255 -7.63113 -9.23558 -43.4087 -9.23559 4.60516 GPRESSAVG: 4199000 13.3106 5.5165 -43.3138 3.65946 -7.26901 -7.96907 -43.7419 -8.66565 3.55759 TIMING: 4199000 CPU: 13328.5, 0.00313589/step Wall: 13328.5, 0.00313589/step, 0.697736 hours remaining, 240.937500 MB of memory in use. ENERGY: 4199000 3952.7356 20666.1607 14407.4683 266.6894 -203588.9892 2347.8994 0.0000 0.0000 52160.8308 -109787.2050 299.7690 -161948.0358 -109424.5047 299.5686 -216.3253 -181.1262 758904.0181 3.0066 3.1997 PRESSURE: 4199200 -305.168 -117.198 52.5074 -117.198 -364.256 -105.56 52.5086 -105.56 -251.557 GPRESSURE: 4199200 -310.427 -106.968 123.465 -37.9052 -336.158 -98.0959 169.271 -134.927 -226.277 PRESSAVG: 4199200 -21.0434 79.353 -2.31069 79.353 -0.746395 17.517 -2.31071 17.5169 5.7536 GPRESSAVG: 4199200 -21.8864 76.3405 -2.98568 80.7133 -1.33274 16.6205 0.196614 17.8573 7.22783 TIMING: 4199200 CPU: 13329.1, 0.0031262/step Wall: 13329.1, 0.0031262/step, 0.695405 hours remaining, 240.937500 MB of memory in use. ENERGY: 4199200 4044.6452 20651.7473 14508.1031 235.1843 -203808.7579 2449.2024 0.0000 0.0000 52006.8935 -109912.9822 298.8843 -161919.8756 -109556.6541 299.4926 -306.9940 -290.9539 759585.4823 -5.3454 -5.3304 PRESSURE: 4199400 -524.399 291.638 -88.2136 291.638 -61.6301 213.898 -88.2139 213.898 -52.5454 GPRESSURE: 4199400 -466.323 299.998 -132.218 259.076 20.3279 257.4 -5.09929 215.559 -105.254 PRESSAVG: 4199400 10.6098 27.4606 -16.6032 27.4606 7.69398 -41.8519 -16.6032 -41.8519 -1.03139 GPRESSAVG: 4199400 10.5586 28.8868 -15.0964 27.4786 7.89134 -41.0937 -18.91 -43.0978 -1.37558 TIMING: 4199400 CPU: 13329.7, 0.00312551/step Wall: 13329.7, 0.00312551/step, 0.695079 hours remaining, 240.937500 MB of memory in use. ENERGY: 4199400 3958.3248 20598.2760 14457.9532 273.3038 -203401.3919 2297.2883 0.0000 0.0000 52039.4111 -109776.8346 299.0712 -161816.2457 -109419.7694 299.0633 -212.8583 -183.7497 760109.2988 5.7575 5.6914 PRESSURE: 4199600 -103.405 -32.3316 60.5981 -32.3314 -113.276 -87.2381 60.5984 -87.2389 -454.41 GPRESSURE: 4199600 -106.521 15.2499 38.8719 -43.1297 -59.2121 -34.3959 -54.1859 -48.2358 -407.888 PRESSAVG: 4199600 8.47746 34.0332 -5.20613 34.0331 50.528 1.0944 -5.20617 1.09441 -29.2906 GPRESSAVG: 4199600 10.1516 33.7291 -4.40235 32.5061 50.2546 1.22171 -4.22697 1.90889 -30.0522 TIMING: 4199600 CPU: 13330.4, 0.00314696/step Wall: 13330.4, 0.00314696/step, 0.699675 hours remaining, 240.937500 MB of memory in use. ENERGY: 4199600 4042.0254 20576.8855 14391.0204 255.7119 -203644.1526 2235.4852 0.0000 0.0000 52139.5890 -110003.4352 299.6469 -162143.0242 -109640.0574 299.2970 -223.6968 -191.2070 759860.4637 9.9050 10.1180 PRESSURE: 4199800 227.279 -30.6081 -21.1831 -30.6085 102.952 -372.49 -21.1833 -372.489 -71.9751 GPRESSURE: 4199800 238.856 -0.529315 -28.1131 -68.8544 108.615 -385.162 73.242 -274.218 -11.2734 PRESSAVG: 4199800 17.2102 16.4687 -48.1999 16.4687 -17.611 -13.6588 -48.1998 -13.6588 -24.9949 GPRESSAVG: 4199800 14.5855 18.1213 -50.4319 16.545 -17.1605 -15.6735 -47.9964 -11.2907 -22.9262 TIMING: 4199800 CPU: 13331, 0.00315259/step Wall: 13331, 0.00315259/step, 0.700751 hours remaining, 240.937500 MB of memory in use. ENERGY: 4199800 4019.4905 20574.1294 14451.2496 253.9055 -204141.3713 2753.6415 0.0000 0.0000 52217.5365 -109871.4182 300.0949 -162088.9546 -109510.9033 298.9894 86.0852 112.0660 757835.7591 -8.4652 -8.5004 PRESSURE: 4200000 -124.685 -76.5223 -15.9832 -76.5225 -13.9278 24.1904 -15.9834 24.1907 174.772 GPRESSURE: 4200000 -46.8427 22.6766 -36.5056 -64.3141 -24.9791 -15.2865 -86.06 -130.968 199.31 PRESSAVG: 4200000 -15.6883 -7.43127 -30.8224 -7.43128 10.4498 -9.77511 -30.8225 -9.77515 -12.7636 GPRESSAVG: 4200000 -13.5983 -6.39292 -27.896 -7.53572 9.44991 -8.82086 -32.0426 -13.2933 -12.847 TIMING: 4200000 CPU: 13331.6, 0.00315337/step Wall: 13331.6, 0.00315337/step, 0.70075 hours remaining, 240.937500 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: 4200000 4015.3321 20602.5274 14457.2456 273.0628 -204238.5958 2834.0519 0.0000 0.0000 52329.6666 -109726.7094 300.7393 -162056.3760 -109358.0428 299.8845 12.0532 42.4959 757684.2255 -6.0007 -5.6651 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 -2.53164 50.7527 187.993 50.7525 -21.1542 -1.04426 187.993 -1.04385 34.9646 GPRESSURE: 4200200 32.2931 66.4575 281.791 149.31 21.6261 -55.763 82.6174 -26.232 43.6467 PRESSAVG: 4200200 -8.24973 21.6454 51.3947 21.6454 47.9888 8.26877 51.3948 8.26876 34.3519 GPRESSAVG: 4200200 -8.35464 19.7115 49.7157 22.2296 48.6433 8.02582 51.5048 9.10135 33.5373 TIMING: 4200200 CPU: 13332.3, 0.0032661/step Wall: 13332.3, 0.0032661/step, 0.725619 hours remaining, 240.937500 MB of memory in use. ENERGY: 4200200 4001.2364 20662.2308 14421.3337 245.6274 -204045.4370 2591.6146 0.0000 0.0000 52220.3807 -109903.0135 300.1112 -162123.3942 -109539.6057 299.6846 3.7596 32.5220 757823.4069 24.6970 24.6087 LDB: ============= START OF LOAD BALANCING ============== 13344.7 LDB: ============== END OF LOAD BALANCING =============== 13344.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13344.7 LDB: ============= START OF LOAD BALANCING ============== 13345.1 LDB: Largest compute 7072 load 0.034299 is 17.5% of average load 0.195471 LDB: Average compute 0.004397 is 2.2% of average load 0.195471 LDB: TIME 13345.1 LOAD: AVG 0.195471 MAX 0.215379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 13345.1 LOAD: AVG 0.195471 MAX 0.215379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: TIME 13345.1 LOAD: AVG 0.195471 MAX 0.215379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: ============== END OF LOAD BALANCING =============== 13345.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13345.1 PRESSURE: 4200400 -206.342 -264.513 -49.7399 -264.514 -180.707 -59.7614 -49.74 -59.7608 -131.428 GPRESSURE: 4200400 -212.153 -344.505 -21.2296 -285.205 -112.475 6.73945 -103.979 -15.4648 -78.3522 PRESSAVG: 4200400 -47.097 18.5738 5.1798 18.5737 27.5697 -26.5304 5.17982 -26.5304 -12.4719 GPRESSAVG: 4200400 -47.5683 20.2677 4.99253 16.3812 28.097 -27.8765 7.0924 -23.3429 -12.0813 TIMING: 4200400 CPU: 13332.9, 0.00319931/step Wall: 13332.9, 0.00319931/step, 0.710603 hours remaining, 239.894531 MB of memory in use. ENERGY: 4200400 3989.7792 20512.7975 14390.0265 264.4933 -203744.7683 2685.8070 0.0000 0.0000 52050.0046 -109851.8603 299.1321 -161901.8649 -109492.8747 299.4834 -172.8257 -134.3266 757739.3965 -10.6664 -10.5176 PRESSURE: 4200600 -258.599 -164.514 -225.167 -164.515 -128.781 16.4136 -225.166 16.4141 167.388 GPRESSURE: 4200600 -155.547 -183.663 -221.924 -99.1223 -127.349 104.656 -70.0613 -14.4849 156.225 PRESSAVG: 4200600 -1.87114 -80.2733 -3.35982 -80.2734 -0.531758 -53.175 -3.35983 -53.175 15.4319 GPRESSAVG: 4200600 -0.211168 -82.306 -3.03546 -78.3206 -1.15847 -50.825 -6.16873 -55.7068 14.5521 TIMING: 4200600 CPU: 13333.6, 0.00314694/step Wall: 13333.6, 0.00314694/step, 0.698796 hours remaining, 239.894531 MB of memory in use. ENERGY: 4200600 3949.7817 20577.7878 14465.8864 247.6742 -203705.2972 2456.3856 0.0000 0.0000 52260.6349 -109747.1467 300.3426 -162007.7816 -109388.7769 299.6221 -73.3304 -42.2239 759443.2157 4.3430 4.3942 PRESSURE: 4200800 94.0331 45.2757 59.9298 45.276 394.461 -223.141 59.9301 -223.139 157.857 GPRESSURE: 4200800 126.762 17.6623 26.8066 232.119 435.045 -158.458 -18.3164 -221.682 176.043 PRESSAVG: 4200800 -59.5659 -42.5324 13.7097 -42.5324 15.888 -50.9483 13.7097 -50.9483 6.31775 GPRESSAVG: 4200800 -61.4155 -39.6843 15.2733 -41.3483 17.6475 -49.9997 14.692 -51.7159 6.54011 TIMING: 4200800 CPU: 13334.2, 0.00313051/step Wall: 13334.2, 0.00313051/step, 0.694973 hours remaining, 239.894531 MB of memory in use. ENERGY: 4200800 3949.2936 20661.1005 14475.9076 238.0321 -204062.8937 2749.0899 0.0000 0.0000 52093.1538 -109896.3162 299.3801 -161989.4700 -109538.9897 299.6930 215.4505 245.9501 758140.5915 -12.4534 -12.4093 PRESSURE: 4201000 -105.93 52.2733 -71.8445 52.2732 -315.35 -45.6513 -71.8458 -45.6523 -266.016 GPRESSURE: 4201000 -166.24 159.925 23.1579 81.3811 -292.073 -11.394 -235.072 -57.6741 -151.746 PRESSAVG: 4201000 -38.7425 23.1731 -2.50352 23.1731 84.9231 -27.4637 -2.50348 -27.4636 -5.61392 GPRESSAVG: 4201000 -38.0243 19.1546 -3.77493 24.27 83.6363 -28.5654 -3.78545 -27.1434 -5.24899 TIMING: 4201000 CPU: 13334.8, 0.00314374/step Wall: 13334.8, 0.00314374/step, 0.697736 hours remaining, 239.894531 MB of memory in use. ENERGY: 4201000 4006.9661 20570.1462 14451.0845 255.3573 -203968.4348 2445.6797 0.0000 0.0000 52164.5051 -110074.6957 299.7901 -162239.2009 -109703.0985 299.3749 -229.0987 -203.3530 758871.9067 13.5222 13.4543 PRESSURE: 4201200 -94.4747 80.9825 150.013 80.9825 3.88689 -70.6562 150.012 -70.6563 -195.707 GPRESSURE: 4201200 -69.2296 25.5822 148.512 75.7442 45.9093 -120.563 108.611 -119.579 -188.476 PRESSAVG: 4201200 -13.0745 -15.334 -29.6515 -15.3339 0.525281 87.3721 -29.6515 87.3721 -3.47198 GPRESSAVG: 4201200 -13.3443 -13.449 -30.3938 -19.209 2.16766 85.9529 -26.4811 88.604 -4.59176 TIMING: 4201200 CPU: 13335.4, 0.00314392/step Wall: 13335.4, 0.00314392/step, 0.697602 hours remaining, 239.894531 MB of memory in use. ENERGY: 4201200 4025.1814 20396.6119 14479.4690 248.7056 -203430.4246 2302.6961 0.0000 0.0000 51787.2205 -110190.5402 297.6219 -161977.7607 -109825.8837 298.4635 -95.4317 -70.5989 759715.3064 -5.3404 -5.2561 PRESSURE: 4201400 -162.69 -365.292 -153.052 -365.292 111.862 -204.291 -153.051 -204.291 -5.24857 GPRESSURE: 4201400 -58.6702 -207.98 -14.3139 -344.731 133.82 -293.421 -196.219 -96.4639 -54.3088 PRESSAVG: 4201400 21.3502 -25.1289 -26.3501 -25.1289 7.30052 -12.6891 -26.35 -12.6892 32.5649 GPRESSAVG: 4201400 22.5816 -24.0372 -25.0615 -22.3062 6.1318 -12.698 -28.4834 -12.6142 32.6005 TIMING: 4201400 CPU: 13336.1, 0.00312919/step Wall: 13336.1, 0.00312919/step, 0.694159 hours remaining, 239.894531 MB of memory in use. ENERGY: 4201400 3966.3260 20613.2782 14390.3425 252.4210 -203608.9867 2532.7898 0.0000 0.0000 51640.0028 -110213.8263 296.7758 -161853.8292 -109861.3843 298.9312 -18.6922 6.9471 759458.9004 20.4052 20.4380 PRESSURE: 4201600 -180.674 111.015 55.7848 111.016 64.1499 -216.027 55.7858 -216.027 57.0546 GPRESSURE: 4201600 -236.339 15.5655 43.8395 -3.07893 146.823 -254.433 16.2173 -302.142 103 PRESSAVG: 4201600 -42.8494 -62.9142 3.06665 -62.9141 36.6477 37.0683 3.06664 37.0682 -12.3645 GPRESSAVG: 4201600 -42.9596 -62.2274 3.11794 -65.5121 36.6076 38.6544 3.04899 37.0122 -12.4945 TIMING: 4201600 CPU: 13336.7, 0.00315569/step Wall: 13336.7, 0.00315569/step, 0.699862 hours remaining, 239.894531 MB of memory in use. ENERGY: 4201600 3970.7964 20523.1325 14396.8111 236.9577 -203649.3944 2523.4302 0.0000 0.0000 51836.2698 -110161.9968 297.9038 -161998.2665 -109807.5840 298.0784 -19.8232 4.4946 760807.1255 -6.1887 -6.2822 PRESSURE: 4201800 161.221 67.8796 3.64696 67.8787 277.583 0.305407 3.64646 0.305108 204.843 GPRESSURE: 4201800 157.848 -26.6673 76.1053 46.3868 334.546 40.8225 -12.2387 -62.2858 218.168 PRESSAVG: 4201800 1.82296 22.8076 -13.706 22.8077 7.02221 -5.47631 -13.706 -5.47628 10.1525 GPRESSAVG: 4201800 1.84206 21.883 -13.2197 24.7154 6.66864 -5.31925 -13.3349 -8.61036 11.0007 TIMING: 4201800 CPU: 13337.3, 0.00315531/step Wall: 13337.3, 0.00315531/step, 0.699601 hours remaining, 239.894531 MB of memory in use. ENERGY: 4201800 3960.8606 20535.7696 14443.5801 249.7405 -203985.0595 2786.4435 0.0000 0.0000 51944.7310 -110063.9342 298.5271 -162008.6653 -109698.4364 298.2886 214.5491 236.8542 760202.4729 6.3326 6.5038 PRESSURE: 4202000 -40.9252 -101.442 -243.461 -101.441 -280.425 -77.1893 -243.462 -77.1887 -141.016 GPRESSURE: 4202000 40.6502 27.7462 -207.642 -164.711 -285.237 -22.2282 -142.62 -168.368 -136.16 PRESSAVG: 4202000 1.5077 -22.2739 0.713762 -22.2739 -3.1266 -37.6544 0.71379 -37.6545 14.4847 GPRESSAVG: 4202000 0.788377 -23.2979 1.43225 -23.088 -2.13616 -38.9994 1.69033 -36.293 14.3782 TIMING: 4202000 CPU: 13338, 0.00313534/step Wall: 13338, 0.00313534/step, 0.695 hours remaining, 239.894531 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: 4202000 3949.3607 20470.1629 14418.5084 235.6390 -203674.9526 2563.1835 0.0000 0.0000 52075.1449 -109962.9533 299.2766 -162038.0982 -109597.4421 298.8323 -154.1222 -126.9154 760078.0924 4.2886 4.3435 PRESSURE: 4202200 87.7079 47.8966 115.887 47.8967 -330.672 -22.2697 115.887 -22.2699 -260.043 GPRESSURE: 4202200 74.2761 71.7009 76.778 91.1913 -330.976 -80.8655 240.737 -19.9072 -169.893 PRESSAVG: 4202200 1.77524 -68.6464 14.1665 -68.6464 1.77426 6.67923 14.1665 6.67921 12.7084 GPRESSAVG: 4202200 0.380615 -67.5978 13.5572 -69.9689 3.22243 6.39817 14.932 7.61146 12.9439 TIMING: 4202200 CPU: 13338.6, 0.00314441/step Wall: 13338.6, 0.00314441/step, 0.696837 hours remaining, 239.894531 MB of memory in use. ENERGY: 4202200 4007.8423 20559.7932 14422.8656 251.6737 -204006.6587 2671.6272 0.0000 0.0000 52016.0840 -110076.7726 298.9371 -162092.8566 -109727.4372 298.8515 -167.6691 -142.1979 761360.6230 5.4193 5.5157 PRESSURE: 4202400 -98.6249 -214.022 33.9932 -214.022 23.9703 20.3533 33.9931 20.3542 128.049 GPRESSURE: 4202400 -2.85056 -138.677 99.9672 -205.819 -11.3562 31.0597 -34.6467 4.21021 182.727 PRESSAVG: 4202400 -40.3169 -50.7699 30.4461 -50.77 68.8329 1.11879 30.4461 1.11881 -0.942739 GPRESSAVG: 4202400 -37.9833 -53.425 30.1355 -47.7909 66.594 0.149194 30.0554 3.05333 -0.845748 TIMING: 4202400 CPU: 13339.2, 0.00315598/step Wall: 13339.2, 0.00315598/step, 0.699226 hours remaining, 239.894531 MB of memory in use. ENERGY: 4202400 4049.9760 20455.9817 14460.4075 243.3332 -203599.7537 2428.6380 0.0000 0.0000 52044.3394 -109917.0780 299.0995 -161961.4174 -109553.9495 299.0769 17.7981 56.1735 761131.4006 9.1911 9.2550 PRESSURE: 4202600 -6.99233 -41.9293 20.2898 -41.9299 -74.2431 14.7318 20.2898 14.7314 -307.344 GPRESSURE: 4202600 -29.1338 -14.1754 -18.0724 -131.409 72.7215 53.0315 -59.4088 76.3645 -356.984 PRESSAVG: 4202600 -34.1587 -34.9897 -0.436249 -34.9896 50.7063 -42.514 -0.436316 -42.514 -9.55607 GPRESSAVG: 4202600 -33.502 -35.4158 -0.628041 -35.3645 51.0232 -41.4196 0.757336 -43.6141 -10.3753 TIMING: 4202600 CPU: 13339.8, 0.00314794/step Wall: 13339.8, 0.00314794/step, 0.697268 hours remaining, 239.894531 MB of memory in use. ENERGY: 4202600 3983.9838 20479.3150 14421.1074 264.8501 -203681.9703 2450.1084 0.0000 0.0000 51925.2850 -110157.3206 298.4153 -162082.6056 -109800.7717 298.4351 -129.5265 -104.4654 759755.8460 2.3305 2.3820 PRESSURE: 4202800 419.168 83.0272 -46.1113 83.027 203.285 -125.049 -46.1112 -125.049 295.947 GPRESSURE: 4202800 494.664 149.531 82.9262 60.0238 253.971 -88.0537 -100.394 -46.6418 257.646 PRESSAVG: 4202800 73.7905 -74.6051 17.4006 -74.6052 -78.123 -38.8131 17.4006 -38.8132 -9.32909 GPRESSAVG: 4202800 71.8322 -73.3042 18.4943 -74.66 -78.2449 -38.463 16.0361 -39.201 -7.67529 TIMING: 4202800 CPU: 13340.5, 0.00313979/step Wall: 13340.5, 0.00313979/step, 0.695288 hours remaining, 239.894531 MB of memory in use. ENERGY: 4202800 3953.2261 20495.7270 14396.9448 265.2531 -203604.9250 2577.6592 0.0000 0.0000 51951.4319 -109964.6829 298.5656 -161916.1148 -109591.1396 298.4304 306.1335 335.4270 758975.6726 -4.5539 -4.6960 PRESSURE: 4203000 -2.96291 -117.27 -244.804 -117.27 72.0613 -41.0255 -244.803 -41.0246 64.5697 GPRESSURE: 4203000 -31.2037 -145.503 -194.309 9.58068 126.175 -66.7703 -173.81 -33.1017 120.556 PRESSAVG: 4203000 45.0477 -59.1771 18.2322 -59.1771 -50.7196 9.50648 18.2323 9.50647 1.3622 GPRESSAVG: 4203000 45.0876 -57.7804 17.1711 -59.4696 -51.8325 9.56053 19.63 7.98166 2.21292 TIMING: 4203000 CPU: 13341.1, 0.00315484/step Wall: 13341.1, 0.00315484/step, 0.698447 hours remaining, 239.894531 MB of memory in use. ENERGY: 4203000 4070.1916 20564.4054 14409.8743 244.8667 -203765.5662 2530.6578 0.0000 0.0000 51853.1376 -110092.4328 298.0007 -161945.5704 -109729.2465 298.9692 44.5560 71.8425 758522.5105 -1.4366 -1.5107 PRESSURE: 4203200 51.5609 30.3845 -84.0037 30.3845 72.8823 6.43036 -84.0042 6.43122 -381.06 GPRESSURE: 4203200 83.545 29.7454 -133.53 71.1246 123.919 19.0095 -90.7925 70.6185 -366.615 PRESSAVG: 4203200 -10.8569 -31.0123 -35.103 -31.0123 15.9399 42.8758 -35.103 42.8757 40.919 GPRESSAVG: 4203200 -10.6482 -30.8938 -34.3922 -31.6029 16.6271 43.7988 -36.9876 43.301 40.504 TIMING: 4203200 CPU: 13341.7, 0.0031432/step Wall: 13341.7, 0.0031432/step, 0.695695 hours remaining, 239.894531 MB of memory in use. ENERGY: 4203200 3971.0327 20490.4465 14404.4083 241.4037 -203631.1374 2324.8212 0.0000 0.0000 52218.5117 -109980.5133 300.1005 -162199.0250 -109611.3937 298.3473 -85.5391 -53.0501 758908.2917 15.3340 15.4943 PRESSURE: 4203400 -408.601 -136.99 130.794 -136.991 -244.356 -47.6075 130.793 -47.608 -269.097 GPRESSURE: 4203400 -322.318 -98.7313 94.6111 -127.057 -230.805 -39.5621 79.5894 -64.5817 -280.839 PRESSAVG: 4203400 -33.997 -62.2157 29.7967 -62.2157 1.47876 60.5199 29.7966 60.5199 3.47991 GPRESSAVG: 4203400 -34.5944 -63.0516 29.7015 -59.513 2.71448 59.4148 29.175 61.2094 2.71587 TIMING: 4203400 CPU: 13342.4, 0.00313242/step Wall: 13342.4, 0.00313242/step, 0.693135 hours remaining, 239.894531 MB of memory in use. ENERGY: 4203400 3947.8095 20486.7379 14397.1322 244.8707 -203520.7619 2584.2670 0.0000 0.0000 51880.7080 -109979.2367 298.1591 -161859.9447 -109622.2967 298.6832 -307.3515 -277.9877 760245.8039 -9.6794 -9.7213 PRESSURE: 4203600 -97.7519 67.4261 -353.672 67.4264 -58.5484 85.4378 -353.672 85.438 2.20464 GPRESSURE: 4203600 -78.1117 88.8601 -358.2 139.09 13.7311 154.255 -238.009 -10.0496 1.70532 PRESSAVG: 4203600 37.7396 -4.78964 -76.2742 -4.78965 0.613371 75.3116 -76.2742 75.3116 -9.9726 GPRESSAVG: 4203600 38.8457 -6.537 -76.4946 -4.21186 -1.15037 76.4396 -75.4168 76.0837 -9.57246 TIMING: 4203600 CPU: 13343, 0.00314343/step Wall: 13343, 0.00314343/step, 0.695396 hours remaining, 239.894531 MB of memory in use. ENERGY: 4203600 4001.0289 20485.0055 14428.5772 249.6559 -203243.8882 2249.8273 0.0000 0.0000 51789.6452 -110040.1482 297.6358 -161829.7934 -109678.2468 298.5168 -51.3652 -20.8917 758539.4562 9.4601 9.3743 PRESSURE: 4203800 130.648 19.1034 78.473 19.1036 -57.6394 217.477 78.472 217.476 -594.001 GPRESSURE: 4203800 139.56 18.4754 78.8816 -9.13674 -28.0285 89.8747 -2.88232 233.095 -550.868 PRESSAVG: 4203800 6.39644 -9.80708 -79.8394 -9.80707 -46.4917 -16.8735 -79.8394 -16.8735 -3.45027 GPRESSAVG: 4203800 6.2827 -7.89338 -80.5164 -10.5885 -45.7706 -17.7306 -80.2955 -16.9525 -4.05204 TIMING: 4203800 CPU: 13343.6, 0.00313735/step Wall: 13343.6, 0.00313735/step, 0.693877 hours remaining, 239.894531 MB of memory in use. ENERGY: 4203800 4041.5928 20523.3820 14378.8166 250.0514 -203149.2804 2141.0686 0.0000 0.0000 52056.2984 -109758.0705 299.1683 -161814.3690 -109401.1908 298.6895 -173.6642 -146.4454 759866.2966 -14.5152 -14.5133 PRESSURE: 4204000 -153.924 -2.10863 -20.144 -2.10871 -189.88 -137.575 -20.1434 -137.575 -87.3145 GPRESSURE: 4204000 -166.779 91.599 21.5354 -7.17663 -135.233 -159.064 53.7951 -112.876 -49.6233 PRESSAVG: 4204000 54.5927 -19.0077 70.5829 -19.0077 -9.00009 -13.5968 70.5829 -13.5968 -2.72623 GPRESSAVG: 4204000 53.4514 -19.5311 70.8594 -19.613 -8.7095 -13.5755 71.0283 -13.9439 -2.21408 TIMING: 4204000 CPU: 13344.2, 0.00313521/step Wall: 13344.2, 0.00313521/step, 0.693229 hours remaining, 239.894531 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: 4204000 3989.9950 20533.7781 14397.2816 240.9488 -203176.6360 2633.2782 0.0000 0.0000 51638.9072 -109742.4472 296.7695 -161381.3544 -109393.0668 298.6601 -143.7060 -117.2118 760338.8941 14.2888 14.1759 PRESSURE: 4204200 -46.969 -110.786 -117.634 -110.786 -351.746 132.779 -117.634 132.778 -438.778 GPRESSURE: 4204200 -50.3359 -201.763 -59.05 -3.72769 -224.626 189.605 -153.223 112.038 -473.543 PRESSAVG: 4204200 32.7974 -56.5888 27.2489 -56.5888 -53.6385 -18.2129 27.2489 -18.2129 26.9326 GPRESSAVG: 4204200 33.5341 -56.3657 26.7094 -57.6677 -52.8995 -17.6775 25.6712 -17.2286 25.9559 TIMING: 4204200 CPU: 13344.9, 0.00312704/step Wall: 13344.9, 0.00312704/step, 0.691249 hours remaining, 239.894531 MB of memory in use. ENERGY: 4204200 4038.4257 20564.8023 14383.3180 253.6465 -203563.3125 2428.1995 0.0000 0.0000 52342.2449 -109552.6756 300.8116 -161894.9205 -109197.2511 299.3580 -279.1644 -249.5017 760652.1906 2.0305 2.1968 LDB: ============= START OF LOAD BALANCING ============== 13357.3 LDB: ============== END OF LOAD BALANCING =============== 13357.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13357.3 LDB: ============= START OF LOAD BALANCING ============== 13357.6 LDB: Largest compute 7056 load 0.037495 is 19.2% of average load 0.195325 LDB: Average compute 0.004408 is 2.3% of average load 0.195325 LDB: TIME 13357.6 LOAD: AVG 0.195325 MAX 0.217552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.438 MB LDB: TIME 13357.6 LOAD: AVG 0.195325 MAX 0.217552 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: TIME 13357.6 LOAD: AVG 0.195325 MAX 0.217552 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.477 MB LDB: ============== END OF LOAD BALANCING =============== 13357.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13357.6 PRESSURE: 4204400 113.897 -58.9161 -68.7153 -58.9165 120.827 195.626 -68.7142 195.627 -21.5898 GPRESSURE: 4204400 118.109 -139.651 -12.7169 -117.235 112.744 288.061 37.4703 86.5331 61.9184 PRESSAVG: 4204400 55.9575 -9.04968 -13.2279 -9.04972 -24.8704 47.395 -13.2279 47.395 -15.0756 GPRESSAVG: 4204400 55.4755 -8.20681 -12.8302 -8.965 -24.9749 47.8619 -11.8055 45.0465 -15.3268 TIMING: 4204400 CPU: 13345.5, 0.00319975/step Wall: 13345.5, 0.00319975/step, 0.707145 hours remaining, 241.062500 MB of memory in use. ENERGY: 4204400 3957.5137 20612.7317 14380.7467 251.5171 -203420.5997 2543.3692 0.0000 0.0000 52084.0696 -109590.6515 299.3279 -161674.7211 -109232.9974 299.7411 71.0447 97.5907 758713.7446 5.3372 5.0579 PRESSURE: 4204600 188.122 61.851 130.411 61.8503 194.039 -124.829 130.411 -124.829 259.107 GPRESSURE: 4204600 116.175 -12.2173 159.851 100.963 261.978 -52.4675 107.703 -233.229 351.24 PRESSAVG: 4204600 -29.4865 -26.8974 34.141 -26.8974 27.6262 -26.1117 34.141 -26.1117 -3.87573 GPRESSAVG: 4204600 -29.0857 -29.6278 34.1759 -25.8852 26.1508 -26.4936 32.9736 -25.4014 -2.68548 TIMING: 4204600 CPU: 13346.1, 0.00314341/step Wall: 13346.1, 0.00314341/step, 0.694519 hours remaining, 241.062500 MB of memory in use. ENERGY: 4204600 3958.4927 20602.2770 14388.7789 269.6858 -203169.8951 2301.5924 0.0000 0.0000 52081.5192 -109567.5491 299.3132 -161649.0683 -109211.7822 299.6855 213.7559 243.1310 759336.5974 -1.9120 -1.8735 PRESSURE: 4204800 0.903196 142.607 76.7658 142.606 -6.94358 -33.8185 76.7658 -33.8174 205.389 GPRESSURE: 4204800 11.0785 247.701 107.061 156.021 -31.9858 73.5131 67.1869 -31.9781 297.869 PRESSAVG: 4204800 -29.744 -26.1849 12.4162 -26.185 51.7312 -3.76003 12.4162 -3.76002 7.22549 GPRESSAVG: 4204800 -30.9526 -24.3508 12.7778 -27.0851 52.209 -4.22819 13.905 -3.76624 7.92847 TIMING: 4204800 CPU: 13346.8, 0.00315984/step Wall: 13346.8, 0.00315984/step, 0.697973 hours remaining, 241.062500 MB of memory in use. ENERGY: 4204800 3942.6603 20668.4879 14512.0780 239.1481 -203297.0678 2379.7152 0.0000 0.0000 51995.3858 -109559.5924 298.8182 -161554.9782 -109203.3088 299.2490 66.4497 92.3206 758499.0179 9.7376 9.7283 PRESSURE: 4205000 -110.88 83.9939 -131.289 83.9938 -79.9663 363.196 -131.289 363.195 207.11 GPRESSURE: 4205000 11.9769 62.4813 -98.1489 -0.736947 -84.7346 288.411 -236.258 218.021 168.629 PRESSAVG: 4205000 22.7886 4.23462 -11.1631 4.23465 -11.7707 -19.4401 -11.1631 -19.44 4.23232 GPRESSAVG: 4205000 22.5062 4.66689 -12.9519 5.01825 -11.1893 -18.5378 -11.6199 -19.7692 3.70003 TIMING: 4205000 CPU: 13347.4, 0.00313569/step Wall: 13347.4, 0.00313569/step, 0.692464 hours remaining, 241.062500 MB of memory in use. ENERGY: 4205000 4005.4939 20486.7586 14436.1803 267.5164 -203496.6319 2669.0037 0.0000 0.0000 52031.1563 -109600.5227 299.0238 -161631.6790 -109240.4789 299.9445 5.4213 31.9571 760139.1546 5.0834 5.0057 PRESSURE: 4205200 202.302 -48.7572 346.439 -48.7566 -117.752 -167.462 346.44 -167.461 -116.394 GPRESSURE: 4205200 198.089 2.79223 329.812 -82.8278 -65.1938 -157.647 322.686 -119.261 -73.1559 PRESSAVG: 4205200 29.2463 24.9936 -8.19835 24.9936 -9.94717 22.8105 -8.19832 22.8105 -12.2228 GPRESSAVG: 4205200 30.0394 24.7079 -8.03007 22.2781 -10.137 21.0988 -9.18717 24.1196 -12.6095 TIMING: 4205200 CPU: 13348, 0.00315748/step Wall: 13348, 0.00315748/step, 0.697101 hours remaining, 241.062500 MB of memory in use. ENERGY: 4205200 4021.3272 20505.3296 14414.7259 261.4928 -203592.9214 2702.1628 0.0000 0.0000 52159.2949 -109528.5882 299.7602 -161687.8831 -109172.9014 299.7740 -10.6146 19.9129 759563.8484 2.3588 2.4309 PRESSURE: 4205400 -41.0119 244.467 34.6844 244.468 -233.36 -45.5474 34.6848 -45.5465 -302.47 GPRESSURE: 4205400 -17.918 224.546 28.1078 201.539 -243.377 22.3604 46.699 105.585 -209.986 PRESSAVG: 4205400 47.1817 -41.8174 3.76123 -41.8174 -34.7482 -18.8835 3.76128 -18.8835 -19.7347 GPRESSAVG: 4205400 48.0615 -41.1334 5.29987 -37.8027 -35.5956 -18.3595 5.30038 -19.7225 -19.6955 TIMING: 4205400 CPU: 13348.7, 0.00315771/step Wall: 13348.7, 0.00315771/step, 0.696976 hours remaining, 241.062500 MB of memory in use. ENERGY: 4205400 4023.3758 20536.5846 14357.2573 263.2493 -203427.4227 2533.3646 0.0000 0.0000 52098.1951 -109615.3961 299.4090 -161713.5912 -109261.9847 300.1440 -192.2805 -157.0938 760276.8412 -2.4337 -2.4099 PRESSURE: 4205600 18.1728 80.0579 -26.2879 80.0579 -24.0921 -3.4361 -26.2887 -3.43684 47.9113 GPRESSURE: 4205600 68.6725 88.1041 -115.97 90.7493 6.41111 -127.59 123.679 93.4865 69.7117 PRESSAVG: 4205600 -4.41052 26.2878 -36.5972 26.2878 -6.21397 -39.3427 -36.5972 -39.3428 9.50795 GPRESSAVG: 4205600 -4.82905 25.2345 -37.7499 26.1618 -4.97055 -41.3501 -37.2527 -37.9069 8.51106 TIMING: 4205600 CPU: 13349.3, 0.00315991/step Wall: 13349.3, 0.00315991/step, 0.697287 hours remaining, 241.062500 MB of memory in use. ENERGY: 4205600 3882.4529 20588.8546 14420.7707 246.1286 -203416.9880 2466.6394 0.0000 0.0000 51985.0951 -109827.0467 298.7591 -161812.1418 -109451.0583 298.9299 13.9973 48.2651 760725.2617 -0.3722 -0.4295 PRESSURE: 4205800 -160.017 93.8958 198.197 93.8971 -19.4348 -26.0596 198.198 -26.0596 -262.212 GPRESSURE: 4205800 -146.524 47.401 222.917 -30.0645 7.04752 -46.4599 85.2431 17.0406 -230.053 PRESSAVG: 4205800 17.6249 -9.66329 14.4295 -9.66328 -40.8211 -30.5406 14.4295 -30.5406 -5.58492 GPRESSAVG: 4205800 16.3927 -9.93561 13.8789 -10.0173 -40.433 -28.8252 15.1965 -31.4577 -4.48439 TIMING: 4205800 CPU: 13349.9, 0.00316436/step Wall: 13349.9, 0.00316436/step, 0.698093 hours remaining, 241.062500 MB of memory in use. ENERGY: 4205800 3958.0488 20456.3772 14419.2073 252.7113 -203407.6996 2442.4612 0.0000 0.0000 51956.2589 -109922.6348 298.5933 -161878.8937 -109560.0444 299.0429 -147.2212 -123.1762 760337.2983 -9.5937 -9.5083 PRESSURE: 4206000 -104.201 113.866 140.881 113.866 -145.931 -42.9076 140.882 -42.9084 240.78 GPRESSURE: 4206000 -107.275 57.9032 173.317 24.013 -74.7582 -100.784 98.8632 -76.6164 234.17 PRESSAVG: 4206000 15.9326 41.2984 23.8847 41.2984 25.5469 -15.0586 23.8848 -15.0587 13.7139 GPRESSAVG: 4206000 16.8283 40.0381 24.7465 41.9642 23.8497 -16.5556 22.3631 -15.4935 14.5814 TIMING: 4206000 CPU: 13350.6, 0.00313733/step Wall: 13350.6, 0.00313733/step, 0.691956 hours remaining, 241.062500 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: 4206000 3905.3521 20708.6413 14415.5393 236.7854 -203389.2004 2295.3408 0.0000 0.0000 51973.0303 -109854.5111 298.6897 -161827.5414 -109487.2819 299.1608 -3.1171 17.3790 759359.6102 18.3978 18.4198 PRESSURE: 4206200 174.381 26.6738 -25.7224 26.6738 358.331 -57.4437 -25.7213 -57.4444 88.4814 GPRESSURE: 4206200 237.962 -13.5142 -36.8864 96.9044 347.155 -57.4282 23.6909 -45.8905 128.433 PRESSAVG: 4206200 8.89026 49.236 -10.9472 49.2359 -46.7883 15.4355 -10.9473 15.4356 -3.48877 GPRESSAVG: 4206200 8.25383 50.725 -10.5818 49.105 -46.5488 15.7353 -10.2957 14.6693 -4.18648 TIMING: 4206200 CPU: 13351.2, 0.00314641/step Wall: 13351.2, 0.00314641/step, 0.693783 hours remaining, 241.062500 MB of memory in use. ENERGY: 4206200 3929.4612 20531.3600 14332.7904 226.3114 -203657.6255 2592.8260 0.0000 0.0000 51969.1294 -110075.7471 298.6673 -162044.8765 -109706.7629 298.8386 207.0643 237.8500 758648.4518 -13.7956 -14.1605 PRESSURE: 4206400 89.5222 -52.7747 -56.1537 -52.775 -249.676 183.371 -56.1534 183.37 -89.313 GPRESSURE: 4206400 109.758 45.4593 -109.925 -130.679 -161.261 141.921 -31.3355 234.635 -101.072 PRESSAVG: 4206400 18.8105 11.5805 -49.089 11.5805 18.2205 -19.364 -49.0891 -19.364 -2.36007 GPRESSAVG: 4206400 19.5928 11.6366 -49.5143 10.6514 18.0253 -21.2525 -49.3894 -17.9204 -2.74881 TIMING: 4206400 CPU: 13351.8, 0.00312328/step Wall: 13351.8, 0.00312328/step, 0.68851 hours remaining, 241.062500 MB of memory in use. ENERGY: 4206400 3909.8295 20482.9669 14416.9796 254.0058 -203837.8200 2793.4507 0.0000 0.0000 52147.6107 -109832.9768 299.6930 -161980.5875 -109468.7986 298.7984 -83.1556 -50.8583 760783.1192 11.5570 11.6231 PRESSURE: 4206600 -181.933 -20.8128 -125.926 -20.8127 81.5083 -46.8624 -125.925 -46.863 -224.677 GPRESSURE: 4206600 -50.5923 -11.8991 -11.6316 -93.3457 38.1057 -11.1313 -58.1217 -182.046 -208.506 PRESSAVG: 4206600 11.7568 16.2564 -34.3439 16.2563 28.5068 3.90219 -34.3439 3.90222 18.8961 GPRESSAVG: 4206600 10.8997 16.8634 -34.0092 16.0672 29.3599 4.69989 -31.7181 2.16906 18.6449 TIMING: 4206600 CPU: 13352.4, 0.00312561/step Wall: 13352.4, 0.00312561/step, 0.688849 hours remaining, 241.062500 MB of memory in use. ENERGY: 4206600 3898.8645 20466.2699 14365.4358 249.5270 -203452.3482 2328.3881 0.0000 0.0000 52138.1049 -110005.7580 299.6384 -162143.8629 -109641.7493 299.1675 -108.3671 -73.6642 760702.4207 19.7199 19.6348 PRESSURE: 4206800 -97.2743 95.3677 325.965 95.3675 -120.217 6.54906 325.966 6.54948 -282.503 GPRESSURE: 4206800 -131.769 120.359 306.945 165.946 -74.9706 28.3977 246.906 -128.087 -222.097 PRESSAVG: 4206800 -96.2192 14.6816 24.765 14.6815 106.835 1.94363 24.765 1.94358 20.7087 GPRESSAVG: 4206800 -95.6171 15.1854 25.4529 14.7344 105.414 3.45125 23.2583 2.62935 21.3833 TIMING: 4206800 CPU: 13353.1, 0.00313823/step Wall: 13353.1, 0.00313823/step, 0.691456 hours remaining, 241.062500 MB of memory in use. ENERGY: 4206800 3957.8120 20461.8931 14475.3551 247.7905 -203524.8506 2227.3805 0.0000 0.0000 52035.6813 -110118.9380 299.0498 -162154.6194 -109745.4378 298.6269 -166.6649 -142.9457 761421.3770 10.4415 10.3933 PRESSURE: 4207000 -527.007 -155.31 -172.35 -155.31 19.6985 -206.258 -172.35 -206.258 -131.573 GPRESSURE: 4207000 -446.131 -91.8353 -141.749 -152.091 6.61445 -194.044 -136.93 -210.444 -102.638 PRESSAVG: 4207000 -83.75 -34.2642 -18.3947 -34.2641 58.1693 8.71633 -18.3947 8.7163 -21.3748 GPRESSAVG: 4207000 -83.4416 -35.4254 -19.6197 -30.778 58.7287 8.84372 -18.073 7.79382 -21.7372 TIMING: 4207000 CPU: 13353.7, 0.00313624/step Wall: 13353.7, 0.00313624/step, 0.690844 hours remaining, 241.062500 MB of memory in use. ENERGY: 4207000 3937.9666 20476.8055 14393.2525 234.9023 -203539.0993 2575.2213 0.0000 0.0000 51898.0656 -110022.8854 298.2589 -161920.9511 -109660.7697 298.4483 -212.9607 -180.7181 763198.4914 -15.6518 -15.4833 PRESSURE: 4207200 212.458 116.755 -31.0852 116.755 119.099 196.769 -31.0848 196.77 280.004 GPRESSURE: 4207200 210.678 42.3422 -53.9596 198.278 175.492 107.305 3.11877 259.365 288.66 PRESSAVG: 4207200 14.2261 -0.110608 26.5102 -0.110562 -11.5093 -38.9488 26.5101 -38.9488 8.18749 GPRESSAVG: 4207200 13.1261 0.814108 26.5335 -2.83082 -12.0149 -39.855 26.8492 -38.8666 9.56946 TIMING: 4207200 CPU: 13354.3, 0.00312705/step Wall: 13354.3, 0.00312705/step, 0.688647 hours remaining, 241.062500 MB of memory in use. ENERGY: 4207200 3903.3146 20487.1545 14405.5177 247.1110 -204252.3319 3064.0890 0.0000 0.0000 52179.5951 -109965.5499 299.8769 -162145.1450 -109606.4381 298.5920 203.8537 224.9432 761348.1206 3.6348 3.5602 PRESSURE: 4207400 -137.588 126.91 22.2887 126.912 -62.4007 -141.624 22.2874 -141.625 -151.969 GPRESSURE: 4207400 -72.7783 45.0748 67.8435 183.017 -50.7648 -87.2803 44.4728 -66.5767 -155.34 PRESSAVG: 4207400 17.5521 40.2622 -42.426 40.2622 15.3564 6.30558 -42.4259 6.30552 15.8748 GPRESSAVG: 4207400 18.0082 39.9512 -44.1348 42.2432 16.3994 5.74775 -43.3694 8.17124 14.1467 TIMING: 4207400 CPU: 13354.9, 0.00312562/step Wall: 13354.9, 0.00312562/step, 0.688157 hours remaining, 241.062500 MB of memory in use. ENERGY: 4207400 4003.8486 20489.7166 14319.8894 244.4603 -203716.8860 2567.9121 0.0000 0.0000 52140.3659 -109950.6932 299.6514 -162091.0591 -109577.2050 298.9461 -117.3191 -92.9609 761519.5202 16.2611 16.1848 PRESSURE: 4207600 34.0444 250.501 88.7735 250.5 -473.348 48.6529 88.775 48.6527 -375.647 GPRESSURE: 4207600 40.1533 184.652 75.2302 167.843 -348.776 118.096 171.901 10.2765 -399.12 PRESSAVG: 4207600 -10.9481 1.35582 20.4762 1.35582 6.67645 -10.0678 20.4762 -10.0678 -2.04021 GPRESSAVG: 4207600 -10.2693 1.2882 20.2932 0.0658949 5.5342 -7.71691 22.4991 -11.1683 -1.81312 TIMING: 4207600 CPU: 13355.6, 0.00314371/step Wall: 13355.6, 0.00314371/step, 0.691966 hours remaining, 241.062500 MB of memory in use. ENERGY: 4207600 4058.2973 20723.7578 14388.7781 246.9212 -203683.6050 2371.7147 0.0000 0.0000 52078.7237 -109815.4123 299.2971 -161894.1360 -109452.3691 299.1251 -271.6504 -235.9143 761580.4768 -2.1039 -2.1827 PRESSURE: 4207800 -677.96 -6.91462 -41.2804 -6.91534 176.015 64.2841 -41.2804 64.2833 -38.1752 GPRESSURE: 4207800 -591.558 2.11677 -23.6893 -130.673 224.628 156.59 -145.673 23.8501 -70.1071 PRESSAVG: 4207800 42.2184 2.83708 -39.3511 2.83706 36.8937 1.03922 -39.3512 1.03925 -14.7482 GPRESSAVG: 4207800 41.2799 2.69399 -37.8403 2.17199 38.2746 -0.113734 -43.5593 0.33176 -15.4688 TIMING: 4207800 CPU: 13356.2, 0.00314883/step Wall: 13356.2, 0.00314883/step, 0.692918 hours remaining, 241.062500 MB of memory in use. ENERGY: 4207800 4019.1893 20621.3738 14413.6587 242.3622 -203538.9214 2433.6954 0.0000 0.0000 51946.0007 -109862.6413 298.5344 -161808.6420 -109503.9899 299.4060 -180.0404 -145.6789 761401.6011 21.4546 21.3619 PRESSURE: 4208000 31.6005 -15.8475 -131.18 -15.8482 -131.909 -79.5067 -131.181 -79.5067 10.8917 GPRESSURE: 4208000 49.506 -42.2196 -47.6749 -10.6005 -72.8346 6.83488 -142.547 29.6322 23.757 PRESSAVG: 4208000 -53.41 -67.2955 -35.1372 -67.2955 12.5778 0.0916424 -35.1371 0.0917099 -9.19033 GPRESSAVG: 4208000 -53.658 -64.7841 -35.305 -66.6321 12.8962 -1.63982 -34.1504 1.7935 -9.21455 TIMING: 4208000 CPU: 13356.8, 0.00314154/step Wall: 13356.8, 0.00314154/step, 0.691139 hours remaining, 241.062500 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: 4208000 3989.2861 20402.0669 14403.1575 238.8088 -203780.7148 2645.5382 0.0000 0.0000 52218.4145 -109883.4428 300.0999 -162101.8573 -109516.8845 299.1201 -29.8057 0.1428 759477.1410 -16.6742 -16.6588 PRESSURE: 4208200 -358.91 93.8736 38.5798 93.8734 62.2754 174.702 38.5799 174.703 -304.65 GPRESSURE: 4208200 -340.105 145.062 79.3406 41.2713 130.516 53.5792 -1.38789 180.038 -281.943 PRESSAVG: 4208200 -52.3886 -63.1221 47.8951 -63.1221 60.468 8.84371 47.8951 8.84379 18.932 GPRESSAVG: 4208200 -51.5326 -62.4941 47.2684 -62.5869 59.0474 9.19681 48.8159 8.37997 19.1365 TIMING: 4208200 CPU: 13357.5, 0.00315112/step Wall: 13357.5, 0.00315112/step, 0.69307 hours remaining, 241.062500 MB of memory in use. ENERGY: 4208200 4057.4133 20498.8845 14359.8230 252.2083 -203464.0051 2573.4732 0.0000 0.0000 52140.4788 -109581.7240 299.6520 -161722.2028 -109219.5703 299.5517 -200.4282 -163.8439 760155.7987 9.0038 8.8838 LDB: ============= START OF LOAD BALANCING ============== 13369.9 LDB: ============== END OF LOAD BALANCING =============== 13369.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13369.9 LDB: ============= START OF LOAD BALANCING ============== 13370.2 LDB: Largest compute 7056 load 0.037170 is 19.0% of average load 0.195424 LDB: Average compute 0.004391 is 2.2% of average load 0.195424 LDB: TIME 13370.2 LOAD: AVG 0.195424 MAX 0.219146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 13370.2 LOAD: AVG 0.195424 MAX 0.219146 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.156 MB LDB: TIME 13370.2 LOAD: AVG 0.195424 MAX 0.215721 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.156 MB LDB: ============== END OF LOAD BALANCING =============== 13370.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13370.2 PRESSURE: 4208400 -44.7524 -88.2212 39.0853 -88.2206 148.395 74.9888 39.0849 74.9887 -22.2396 GPRESSURE: 4208400 -50.9091 -50.6491 -31.0137 -26.5593 177.172 173.011 73.9669 -63.8351 64.4602 PRESSAVG: 4208400 19.8404 -5.55803 -11.4174 -5.55802 -19.0399 26.2987 -11.4174 26.2987 -7.57302 GPRESSAVG: 4208400 18.438 -8.73938 -11.182 -5.51741 -18.7066 27.168 -12.3263 26.8972 -6.29524 TIMING: 4208400 CPU: 13358.1, 0.0031954/step Wall: 13358.1, 0.0031954/step, 0.702634 hours remaining, 240.734375 MB of memory in use. ENERGY: 4208400 3927.8272 20393.9222 14376.7186 247.8472 -203341.4098 2424.6717 0.0000 0.0000 52442.4478 -109527.9751 301.3875 -161970.4229 -109158.7258 299.4445 27.1342 63.5744 760914.4967 -2.2575 -2.1879 PRESSURE: 4208600 -370.784 29.3067 112.359 29.3072 -215.859 180.088 112.358 180.087 7.25709 GPRESSURE: 4208600 -331.369 -12.3212 103.232 22.1911 -158.866 161.685 100.499 190.653 2.87259 PRESSAVG: 4208600 -34.2871 13.5639 14.6772 13.5639 23.1016 9.58703 14.6773 9.58711 -3.84717 GPRESSAVG: 4208600 -33.1172 15 14.2543 13.2408 23.2372 9.576 13.7683 7.70329 -5.24303 TIMING: 4208600 CPU: 13358.7, 0.00313113/step Wall: 13358.7, 0.00313113/step, 0.688326 hours remaining, 240.937500 MB of memory in use. ENERGY: 4208600 3981.7641 20596.6087 14460.1108 225.4840 -203327.0099 2526.8529 0.0000 0.0000 52134.8785 -109401.3110 299.6199 -161536.1895 -109045.0578 300.0506 -193.1285 -162.4540 762080.8531 -5.0109 -5.0410 PRESSURE: 4208800 -157.635 19.1533 133.104 19.1543 -105.549 29.4583 133.104 29.459 -90.9802 GPRESSURE: 4208800 -104.917 5.70123 96.9271 34.3765 -62.5977 -63.6914 47.942 52.6851 -105.694 PRESSAVG: 4208800 20.2999 -3.63579 62.6933 -3.63576 -32.0572 -15.5922 62.6933 -15.5922 9.34991 GPRESSAVG: 4208800 19.4246 -3.24862 64.297 -5.19649 -31.5551 -15.1852 63.2271 -13.9722 9.19954 TIMING: 4208800 CPU: 13359.3, 0.00313602/step Wall: 13359.3, 0.00313602/step, 0.689228 hours remaining, 240.937500 MB of memory in use. ENERGY: 4208800 3936.2004 20502.8036 14475.3129 249.7388 -203247.0498 2477.4299 0.0000 0.0000 52168.6918 -109436.8724 299.8142 -161605.5642 -109073.7522 299.8182 -118.0545 -91.0695 762831.9103 -0.8025 -0.9770 PRESSURE: 4209000 170.837 44.2546 -125.798 44.2543 63.4668 -153.017 -125.798 -153.017 324.354 GPRESSURE: 4209000 254.285 15.0467 -94.3137 56.9185 28.7203 -168.637 -207.746 -143.191 343.52 PRESSAVG: 4209000 25.7137 -2.34134 37.4448 -2.34135 11.837 32.875 37.4448 32.875 16.3173 GPRESSAVG: 4209000 26.2063 -5.24098 38.558 -2.15824 10.522 32.7851 37.2483 32.6584 16.9747 TIMING: 4209000 CPU: 13360, 0.00313369/step Wall: 13360, 0.00313369/step, 0.688541 hours remaining, 240.937500 MB of memory in use. ENERGY: 4209000 3941.7585 20575.3238 14494.0779 254.4323 -203402.9308 2709.8223 0.0000 0.0000 52026.4068 -109401.1091 298.9965 -161427.5160 -109039.8102 299.8989 186.2192 208.8415 761133.1641 17.9560 17.9010 PRESSURE: 4209200 82.171 67.9111 68.9846 67.9102 -95.7468 296.704 68.9847 296.703 56.4234 GPRESSURE: 4209200 166.498 125.742 116.832 13.9152 -47.2917 202.661 166.64 249.133 25.1188 PRESSAVG: 4209200 -1.09612 -8.57887 17.6412 -8.57887 16.3099 69.3899 17.6412 69.39 27.3572 GPRESSAVG: 4209200 -1.09408 -7.67575 16.8235 -9.3529 16.5488 70.0518 19.0682 69.4385 28.1324 TIMING: 4209200 CPU: 13360.6, 0.00312261/step Wall: 13360.6, 0.00312261/step, 0.685932 hours remaining, 240.937500 MB of memory in use. ENERGY: 4209200 3920.1059 20563.5260 14426.7483 245.9486 -203211.4317 2445.1017 0.0000 0.0000 52370.2122 -109239.7889 300.9723 -161610.0011 -108880.3148 300.0548 14.2825 48.1085 760712.8611 14.1903 14.5291 PRESSURE: 4209400 -1.46079 14.678 -59.1901 14.6783 -73.5256 -112.961 -59.19 -112.962 218.487 GPRESSURE: 4209400 105.979 3.18279 -34.6382 -10.5368 -62.6373 -108.36 0.248377 -131.832 189.806 PRESSAVG: 4209400 15.7732 35.6669 10.1428 35.6668 -16.3468 52.1489 10.1428 52.1489 -20.6312 GPRESSAVG: 4209400 14.7337 35.222 8.77634 37.4511 -14.8907 52.5787 9.81399 53.085 -21.0469 TIMING: 4209400 CPU: 13361.2, 0.00313671/step Wall: 13361.2, 0.00313671/step, 0.688856 hours remaining, 240.937500 MB of memory in use. ENERGY: 4209400 3961.2745 20505.8286 14388.0757 241.0724 -203061.7047 2591.7478 0.0000 0.0000 52119.7734 -109253.9323 299.5331 -161373.7058 -108894.4938 299.8155 47.8334 77.7160 761493.9603 -7.0682 -7.0680 PRESSURE: 4209600 -187.365 -90.8541 -90.5622 -90.8548 113.114 -91.0425 -90.5626 -91.0427 30.8172 GPRESSURE: 4209600 -69.0571 -19.7498 -82.6384 -144.748 80.8004 -177.818 37.1379 80.5792 24.4012 PRESSAVG: 4209600 -73.4572 33.2708 14.9936 33.2708 40.4876 23.2399 14.9936 23.2399 5.67278 GPRESSAVG: 4209600 -71.7832 34.2903 16.5095 30.4964 39.6028 23.6805 16.2967 22.1343 5.31516 TIMING: 4209600 CPU: 13361.8, 0.00311815/step Wall: 13361.8, 0.00311815/step, 0.684607 hours remaining, 240.937500 MB of memory in use. ENERGY: 4209600 3952.3095 20449.5228 14434.2961 253.0155 -203313.8205 2620.3895 0.0000 0.0000 52344.4612 -109259.8260 300.8243 -161604.2872 -108896.2087 299.4260 -14.4777 12.0482 761142.9064 -9.0989 -8.9551 PRESSURE: 4209800 -64.0864 -128.89 -93.2779 -128.89 346.843 -48.1109 -93.2785 -48.1105 89.6437 GPRESSURE: 4209800 -10.2109 -87.8629 -11.458 -115.627 390.565 -108.501 -251.629 -12.2623 88.617 PRESSAVG: 4209800 -23.9681 16.9654 -56.5267 16.9654 11.4714 15.8339 -56.5267 15.834 15.1472 GPRESSAVG: 4209800 -23.6206 15.783 -60.0286 20.0172 12.9124 14.4471 -57.3621 15.6607 13.4543 TIMING: 4209800 CPU: 13362.5, 0.00312323/step Wall: 13362.5, 0.00312323/step, 0.685549 hours remaining, 240.937500 MB of memory in use. ENERGY: 4209800 3924.8670 20771.0564 14453.7237 264.8712 -203299.3655 2568.4788 0.0000 0.0000 52139.1997 -109177.1685 299.6447 -161316.3683 -108810.3030 300.2636 124.1334 156.3237 760911.4901 0.8835 0.9154 PRESSURE: 4210000 -173.83 44.0335 -72.5656 44.0337 139.335 -115.658 -72.5658 -115.657 582.546 GPRESSURE: 4210000 -122.76 159.3 -137.945 111.833 94.1118 -127.093 -6.45254 -111.703 650.815 PRESSAVG: 4210000 -37.0202 20.8807 -23.2707 20.8807 22.1706 -33.2572 -23.2707 -33.2572 -14.491 GPRESSAVG: 4210000 -37.9743 20.8729 -22.6563 20.2 21.2019 -33.2261 -21.6721 -30.8594 -12.9698 TIMING: 4210000 CPU: 13363.1, 0.00312344/step Wall: 13363.1, 0.00312344/step, 0.685422 hours remaining, 240.937500 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: 4210000 4080.4186 20633.8336 14410.8392 228.1708 -203048.6820 2424.3543 0.0000 0.0000 51969.4048 -109301.6607 298.6689 -161271.0655 -108948.1900 299.9810 182.6837 207.3889 761041.1251 -9.7802 -9.9140 PRESSURE: 4210200 -191.102 -229.964 41.4052 -229.964 -26.1992 278.573 41.4057 278.574 270.159 GPRESSURE: 4210200 -148.238 -229.891 70.5699 -52.1899 1.97734 267.598 66.7293 99.7265 268.588 PRESSAVG: 4210200 -14.4559 11.7172 -50.463 11.7172 12.0562 1.70711 -50.463 1.70713 -7.20261 GPRESSAVG: 4210200 -13.9779 10.5554 -49.8526 11.3746 11.9034 0.749333 -52.7787 0.923316 -6.94732 TIMING: 4210200 CPU: 13363.7, 0.0031323/step Wall: 13363.7, 0.0031323/step, 0.687192 hours remaining, 240.937500 MB of memory in use. ENERGY: 4210200 4039.0881 20532.3520 14448.0738 237.2389 -203317.1322 2611.6480 0.0000 0.0000 52254.9175 -109193.8138 300.3097 -161448.7313 -108831.8660 300.2559 17.6193 40.7758 761680.0788 -3.2008 -3.0073 PRESSURE: 4210400 -164.75 -93.5634 53.2675 -93.5642 -24.4969 -70.9685 53.2676 -70.969 175.691 GPRESSURE: 4210400 -139.191 -81.7017 91.7389 -192.192 19.3764 5.9862 182.557 -78.6942 196.857 PRESSAVG: 4210400 22.5288 54.8202 31.501 54.8202 -1.14813 56.7216 31.501 56.7217 2.267 GPRESSAVG: 4210400 22.8743 57.3393 30.3585 55.0128 -1.61213 58.4868 31.6129 53.4332 2.28546 TIMING: 4210400 CPU: 13364.4, 0.00314053/step Wall: 13364.4, 0.00314053/step, 0.688822 hours remaining, 240.937500 MB of memory in use. ENERGY: 4210400 3981.8849 20532.0379 14364.6296 240.0156 -203295.0660 2623.5522 0.0000 0.0000 52321.5210 -109231.4248 300.6925 -161552.9458 -108859.6874 300.3517 -4.5185 25.6807 761584.3084 7.8826 7.8492 PRESSURE: 4210600 -38.8689 90.5869 -220.812 90.5863 -119.251 -130.459 -220.812 -130.459 -212.872 GPRESSURE: 4210600 1.83049 44.1626 -176.771 59.7063 -68.1829 -122.892 -119.165 -28.7837 -228.524 PRESSAVG: 4210600 8.2742 -20.5477 2.77722 -20.5477 10.1406 0.294384 2.77724 0.294399 -33.2739 GPRESSAVG: 4210600 7.5588 -20.8645 4.92423 -20.9004 12.023 -1.69334 1.62371 3.63989 -33.8084 TIMING: 4210600 CPU: 13365, 0.00315817/step Wall: 13365, 0.00315817/step, 0.692517 hours remaining, 240.937500 MB of memory in use. ENERGY: 4210600 4017.6681 20467.8288 14434.9937 232.6687 -202859.9129 2209.0001 0.0000 0.0000 52334.3890 -109163.3645 300.7665 -161497.7536 -108790.9257 300.1652 -123.6637 -98.2923 762620.5624 -4.9531 -4.7422 PRESSURE: 4210800 51.5623 113.909 12.7106 113.908 -253.632 -271.2 12.7114 -271.2 -404.311 GPRESSURE: 4210800 97.7115 160.863 4.20931 133.655 -195.515 -247.637 54.866 -232.781 -416.951 PRESSAVG: 4210800 6.00229 1.43682 -23.2298 1.43679 -12.8659 11.5424 -23.2298 11.5423 -5.27426 GPRESSAVG: 4210800 7.53958 1.48713 -23.4971 3.85293 -14.3902 11.1292 -23.2273 13.1093 -5.02506 TIMING: 4210800 CPU: 13365.6, 0.0031496/step Wall: 13365.6, 0.0031496/step, 0.690462 hours remaining, 240.937500 MB of memory in use. ENERGY: 4210800 3945.9608 20440.9198 14354.7350 268.4675 -202914.1531 2231.8269 0.0000 0.0000 52215.7251 -109456.5180 300.0845 -161672.2432 -109083.0685 300.4083 -202.1267 -171.5847 762272.0012 -4.0460 -3.9586 PRESSURE: 4211000 -67.1078 -79.92 127.278 -79.9208 -67.9223 54.5202 127.277 54.5187 296.8 GPRESSURE: 4211000 -1.80977 57.8987 114.47 -189.966 -6.29654 78.147 85.3563 53.0491 265.212 PRESSAVG: 4211000 0.451531 19.101 21.1576 19.101 -20.09 -18.5575 21.1576 -18.5575 5.99239 GPRESSAVG: 4211000 0.445722 18.8635 20.1371 16.1768 -20.5177 -16.3049 23.0852 -20.2169 6.24019 TIMING: 4211000 CPU: 13366.2, 0.00316219/step Wall: 13366.2, 0.00316219/step, 0.693048 hours remaining, 240.937500 MB of memory in use. ENERGY: 4211000 4075.0225 20277.1984 14376.5271 255.3863 -203359.2567 2652.9795 0.0000 0.0000 52299.2962 -109422.8467 300.5648 -161722.1429 -109059.0876 299.5215 53.9233 85.7018 760808.0840 -4.5487 -4.6106 PRESSURE: 4211200 42.3515 -73.3884 -48.9528 -73.3881 445.872 189.186 -48.9523 189.186 62.5946 GPRESSURE: 4211200 99.825 -147.545 -71.3935 -113.901 460.767 126.13 -123.746 139.826 66.5505 PRESSAVG: 4211200 -24.5389 -4.17808 103.727 -4.17814 24.9866 0.97574 103.727 0.975727 11.5661 GPRESSAVG: 4211200 -25.0739 -3.6894 104.207 -4.19655 25.3499 0.248625 102.929 1.2126 11.5553 TIMING: 4211200 CPU: 13366.9, 0.0031332/step Wall: 13366.9, 0.0031332/step, 0.686518 hours remaining, 240.937500 MB of memory in use. ENERGY: 4211200 4029.2889 20499.5228 14427.1319 218.4720 -203356.2980 2521.9702 0.0000 0.0000 52280.6478 -109379.2645 300.4576 -161659.9122 -109015.1004 300.3301 183.6061 209.0474 758773.3205 4.0046 3.9438 PRESSURE: 4211400 -318.586 198.64 10.7351 198.64 -113.06 -110.949 10.7344 -110.949 19.7147 GPRESSURE: 4211400 -249.975 77.6358 36.5417 243.673 -72.2219 -154.448 45.9977 -14.0486 -10.3219 PRESSAVG: 4211400 -93.9483 26.2919 1.75975 26.2919 85.2983 2.18648 1.75977 2.18646 31.0782 GPRESSAVG: 4211400 -94.2969 25.8017 2.157 27.7805 85.7119 1.62811 1.72571 1.20384 30.7553 TIMING: 4211400 CPU: 13367.5, 0.00312669/step Wall: 13367.5, 0.00312669/step, 0.68492 hours remaining, 240.937500 MB of memory in use. ENERGY: 4211400 3949.6193 20715.9910 14431.4009 256.5576 -203176.3485 2536.0259 0.0000 0.0000 52232.6150 -109054.1388 300.1816 -161286.7538 -108696.8574 300.1261 -137.3104 -110.8395 760087.4279 7.4761 7.3901 PRESSURE: 4211600 35.4799 -135.998 141.496 -135.999 -353.487 202.613 141.496 202.614 0.434165 GPRESSURE: 4211600 39.7928 -200.246 99.973 -10.5318 -269.774 270.346 119.215 268.908 7.34725 PRESSAVG: 4211600 -8.73333 25.659 60.535 25.659 10.0278 -40.2706 60.5351 -40.2705 -28.9595 GPRESSAVG: 4211600 -9.70578 24.813 59.4476 26.2589 10.9583 -39.4025 60.6094 -40.6426 -28.4077 TIMING: 4211600 CPU: 13368.1, 0.00314319/step Wall: 13368.1, 0.00314319/step, 0.688358 hours remaining, 240.937500 MB of memory in use. ENERGY: 4211600 4058.4572 20644.8260 14460.2128 257.4126 -202802.0091 2289.6544 0.0000 0.0000 51932.4444 -109159.0017 298.4565 -161091.4460 -108802.7769 300.6846 -105.8578 -74.2113 761168.8555 -9.2217 -9.0517 PRESSURE: 4211800 339.687 196.45 -105.576 196.449 266.748 150.088 -105.576 150.088 283.994 GPRESSURE: 4211800 314.131 217.049 12.2874 201.261 252.018 122.102 -30.7295 194.073 396.562 PRESSAVG: 4211800 -17.5349 13.781 16.2951 13.781 14.6964 -38.8628 16.2952 -38.8627 35.1742 GPRESSAVG: 4211800 -15.4174 15.5247 17.7114 14.4977 12.8184 -39.8861 17.1912 -37.9364 35.0506 TIMING: 4211800 CPU: 13368.8, 0.00315573/step Wall: 13368.8, 0.00315573/step, 0.69093 hours remaining, 240.937500 MB of memory in use. ENERGY: 4211800 3957.8151 20610.3417 14490.2857 265.3006 -203433.9205 2602.5309 0.0000 0.0000 52309.7244 -109197.9221 300.6247 -161507.6465 -108839.1779 300.4600 296.8093 320.9036 760098.7050 10.7786 10.8172 PRESSURE: 4212000 164.318 174.669 -21.7817 174.669 58.2409 -167.902 -21.7824 -167.902 0.286772 GPRESSURE: 4212000 129.279 30.5475 -65.1591 208.052 103.12 -153.322 107.622 -153.255 85.1846 PRESSAVG: 4212000 1.49679 -23.6341 -32.7278 -23.6342 20.8407 -12.2915 -32.7279 -12.2915 -6.3026 GPRESSAVG: 4212000 -0.30349 -25.7096 -32.4483 -24.5037 23.0788 -11.7222 -32.5164 -12.4602 -7.19394 TIMING: 4212000 CPU: 13369.4, 0.00314515/step Wall: 13369.4, 0.00314515/step, 0.688439 hours remaining, 240.937500 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: 4212000 3984.8714 20662.1896 14363.8810 249.2804 -202833.1107 2513.9560 0.0000 0.0000 52193.9150 -108865.0173 299.9591 -161058.9323 -108505.4141 300.6826 74.2818 105.8612 759475.7647 5.3450 5.1938 PRESSURE: 4212200 52.2498 -207.712 -165.3 -207.712 55.3023 283.862 -165.301 283.864 277.656 GPRESSURE: 4212200 116.711 -165.937 -71.2828 -266.532 117.224 108.264 -169.993 168.081 246.379 PRESSAVG: 4212200 -38.5655 25.3058 -17.6835 25.3059 23.1731 -83.563 -17.6836 -83.563 -5.90927 GPRESSAVG: 4212200 -37.5448 27.4134 -19.6879 26.2415 21.471 -85.3087 -15.0045 -83.6094 -5.39142 TIMING: 4212200 CPU: 13370, 0.00312712/step Wall: 13370, 0.00312712/step, 0.684319 hours remaining, 240.937500 MB of memory in use. ENERGY: 4212200 3984.2296 20535.1135 14409.0153 250.8101 -202704.0653 2284.1678 0.0000 0.0000 51990.1702 -109250.5587 298.7882 -161240.7290 -108891.4527 300.7808 128.4026 160.1050 760704.0172 -7.1006 -7.1551 LDB: ============= START OF LOAD BALANCING ============== 13382.5 LDB: ============== END OF LOAD BALANCING =============== 13382.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13382.5 LDB: ============= START OF LOAD BALANCING ============== 13382.8 LDB: Largest compute 7032 load 0.035327 is 18.1% of average load 0.195499 LDB: Average compute 0.004411 is 2.3% of average load 0.195499 LDB: TIME 13382.8 LOAD: AVG 0.195499 MAX 0.215193 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.129 MB LDB: TIME 13382.8 LOAD: AVG 0.195499 MAX 0.215193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: TIME 13382.8 LOAD: AVG 0.195499 MAX 0.215193 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.133 MB LDB: ============== END OF LOAD BALANCING =============== 13382.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13382.8 PRESSURE: 4212400 -289.797 239.962 61.2514 239.962 432.345 52.4337 61.2504 52.4338 76.9098 GPRESSURE: 4212400 -242.478 183.325 35.8722 185.262 382.693 39.7451 42.0775 -10.5153 159.77 PRESSAVG: 4212400 -74.0757 -21.4004 6.16297 -21.4005 32.0339 -52.8282 6.16302 -52.8282 -3.9645 GPRESSAVG: 4212400 -73.9161 -23.0291 7.39946 -21.3829 32.2374 -50.9796 3.03848 -53.3919 -4.76526 TIMING: 4212400 CPU: 13370.7, 0.00320512/step Wall: 13370.7, 0.00320512/step, 0.701208 hours remaining, 241.578125 MB of memory in use. ENERGY: 4212400 4020.9890 20700.7330 14393.7944 265.5222 -203052.5346 2319.3993 0.0000 0.0000 52120.8642 -109231.2326 299.5393 -161352.0968 -108875.4693 299.8386 73.1525 99.9951 760848.0916 -15.3354 -15.4813 PRESSURE: 4212600 117.989 -24.4498 65.843 -24.4495 -28.2066 -78.1169 65.8416 -78.1168 -262.458 GPRESSURE: 4212600 142.031 -111.071 97.4817 37.7925 24.2791 -34.9967 68.4257 -101.312 -274.513 PRESSAVG: 4212600 -25.8815 -15.0652 -20.3653 -15.0651 63.3657 -24.6545 -20.3653 -24.6545 16.2593 GPRESSAVG: 4212600 -26.2537 -15.683 -20.9688 -15.9306 62.7011 -25.8807 -19.3795 -23.2189 17.0709 TIMING: 4212600 CPU: 13371.3, 0.00313352/step Wall: 13371.3, 0.00313352/step, 0.68537 hours remaining, 241.578125 MB of memory in use. ENERGY: 4212600 4051.9475 20496.7133 14415.0972 248.4541 -203376.8471 2643.6968 0.0000 0.0000 52289.5203 -109231.4179 300.5086 -161520.9382 -108863.2595 300.3357 -57.5584 -36.0676 761984.3979 17.9145 17.8394 PRESSURE: 4212800 -138.249 183.111 14.1675 183.111 -140.197 317.067 14.1677 317.067 73.6054 GPRESSURE: 4212800 -64.485 128.842 34.6314 154.112 -73.5576 427.763 25.1183 196.423 19.9691 PRESSAVG: 4212800 20.5479 -6.9738 15.3193 -6.97383 -41.9899 -8.57933 15.3193 -8.57934 5.70873 GPRESSAVG: 4212800 20.2491 -4.91139 15.1812 -8.97941 -40.7175 -7.05187 14.1423 -10.5483 4.20412 TIMING: 4212800 CPU: 13371.9, 0.00314225/step Wall: 13371.9, 0.00314225/step, 0.687106 hours remaining, 241.578125 MB of memory in use. ENERGY: 4212800 3986.3011 20437.3527 14436.5297 255.0115 -203231.3597 2544.9146 0.0000 0.0000 52197.2562 -109373.9940 299.9783 -161571.2502 -109010.8778 300.2023 -68.2802 -39.3578 762247.4723 -5.2444 -5.4214 PRESSURE: 4213000 13.4673 35.3884 -122.646 35.3885 226.454 164.102 -122.647 164.101 -27.4914 GPRESSURE: 4213000 27.4314 -30.053 -135.308 136.502 264.223 21.6669 96.4248 66.1063 10.8186 PRESSAVG: 4213000 -24.8141 -13.1334 -10.8282 -13.1333 41.4534 75.1712 -10.8283 75.1712 8.7431 GPRESSAVG: 4213000 -26.1633 -13.6297 -9.64248 -11.419 42.0886 74.5018 -9.64468 74.7126 9.7171 TIMING: 4213000 CPU: 13372.5, 0.00312667/step Wall: 13372.5, 0.00312667/step, 0.683524 hours remaining, 241.578125 MB of memory in use. ENERGY: 4213000 3936.6960 20616.7156 14366.3341 235.5882 -203470.8246 2683.6936 0.0000 0.0000 52076.0648 -109555.7322 299.2819 -161631.7970 -109186.9136 300.0744 70.8099 100.8244 762072.1403 8.4608 8.5475 PRESSURE: 4213200 41.3944 -281.55 16.7065 -281.55 132.119 -77.8574 16.7067 -77.8574 -9.59336 GPRESSURE: 4213200 116.427 -279.761 -126.235 -215.97 120.779 -30.201 31.0462 -164.312 9.50539 PRESSAVG: 4213200 -51.4013 27.0815 48.29 27.0815 16.4453 -0.872143 48.29 -0.872132 0.186556 GPRESSAVG: 4213200 -50.3545 27.6516 47.73 26.2789 14.9412 -1.77886 46.328 0.480398 0.636615 TIMING: 4213200 CPU: 13373.2, 0.00314654/step Wall: 13373.2, 0.00314654/step, 0.687695 hours remaining, 241.578125 MB of memory in use. ENERGY: 4213200 3888.6941 20425.1340 14474.5078 238.3637 -203436.9178 2685.0856 0.0000 0.0000 51882.7158 -109842.4169 298.1707 -161725.1327 -109478.4551 299.2392 54.6401 82.2374 761200.0665 -11.5898 -11.5922 PRESSURE: 4213400 191.829 224.756 42.3329 224.757 -44.2708 -3.48407 42.3329 -3.4846 279.757 GPRESSURE: 4213400 185.355 234.363 14.0033 254.663 47.8652 71.6401 -13.3275 0.738562 281.269 PRESSAVG: 4213400 -11.753 -1.51693 -19.825 -1.51695 7.6515 -4.92949 -19.825 -4.92949 -11.3179 GPRESSAVG: 4213400 -11.5791 -3.71411 -20.3852 1.15511 8.5909 -3.54344 -18.3407 -5.5584 -11.7281 TIMING: 4213400 CPU: 13373.8, 0.00313316/step Wall: 13373.8, 0.00313316/step, 0.684595 hours remaining, 241.578125 MB of memory in use. ENERGY: 4213400 3966.3408 20374.0953 14456.3594 255.4694 -203530.1277 2537.9850 0.0000 0.0000 52096.9165 -109842.9613 299.4017 -161939.8778 -109474.3462 298.4632 142.4383 171.4966 759737.2478 -5.1398 -4.9054 PRESSURE: 4213600 97.3805 62.7026 53.1438 62.7032 339.914 -299.262 53.1442 -299.263 -212.03 GPRESSURE: 4213600 66.4095 48.2571 75.2433 123.38 362.142 -282.475 85.9366 -224.917 -135.512 PRESSAVG: 4213600 -20.6906 -27.7381 -37.9256 -27.7382 14.8396 -54.9173 -37.9256 -54.9173 -11.2017 GPRESSAVG: 4213600 -20.6629 -24.9062 -35.4269 -29.6553 15.1603 -55.6537 -41.4159 -54.0161 -11.4926 TIMING: 4213600 CPU: 13374.4, 0.00312533/step Wall: 13374.4, 0.00312533/step, 0.682712 hours remaining, 241.578125 MB of memory in use. ENERGY: 4213600 3986.9302 20405.0867 14469.7505 244.1757 -203425.3697 2650.6047 0.0000 0.0000 51868.9857 -109799.8362 298.0918 -161668.8219 -109434.3653 298.3153 75.0880 97.6801 759084.3722 -5.6842 -5.6651 PRESSURE: 4213800 131.854 -25.9274 -117.469 -25.9274 -129.323 -18.7844 -117.469 -18.7854 134.84 GPRESSURE: 4213800 167.167 -27.0401 -60.2872 -39.8397 -73.0271 -34.4443 -154.105 -88.5674 132.486 PRESSAVG: 4213800 -7.1385 -1.2909 -8.46876 -1.29089 32.5618 -18.1177 -8.46874 -18.1177 -7.33711 GPRESSAVG: 4213800 -8.65827 -0.0991265 -11.5291 -3.29411 32.4811 -16.533 -3.09119 -18.7751 -5.97832 TIMING: 4213800 CPU: 13375, 0.00313063/step Wall: 13375, 0.00313063/step, 0.683695 hours remaining, 241.578125 MB of memory in use. ENERGY: 4213800 3903.8524 20543.1786 14496.2404 259.1222 -203033.9606 2100.4822 0.0000 0.0000 52200.4588 -109530.6259 299.9968 -161731.0847 -109159.7130 299.0568 45.7906 75.5419 761362.5567 6.0287 5.9482 PRESSURE: 4214000 -251.027 110.368 3.01281 110.368 -70.2695 358.458 3.01189 358.459 94.1306 GPRESSURE: 4214000 -149.717 49.7651 13.7109 113.694 -90.6656 361.924 12.2486 270.547 106.57 PRESSAVG: 4214000 9.34214 36.6404 13.5478 36.6404 -1.34468 15.2556 13.5477 15.2557 -7.53186 GPRESSAVG: 4214000 11.3751 30.7472 16.4248 40.504 -1.69008 14.9885 9.67514 15.374 -9.26194 TIMING: 4214000 CPU: 13375.7, 0.00312063/step Wall: 13375.7, 0.00312063/step, 0.681337 hours remaining, 241.578125 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: 4214000 4000.1086 20531.0345 14371.1300 263.2133 -203442.7309 2521.2160 0.0000 0.0000 52112.9885 -109643.0400 299.4941 -161756.0284 -109271.0306 299.5232 -75.7220 -44.6045 761055.9128 0.1552 0.1410 PRESSURE: 4214200 -132.314 -193.092 -117.495 -193.093 -60.8458 45.45 -117.495 45.4506 49.9132 GPRESSURE: 4214200 -60.8722 -173.159 -155.844 -119.359 -34.3944 99.6328 -81.856 10.5712 61.1042 PRESSAVG: 4214200 -10.736 -6.64888 52.8311 -6.64888 26.6656 26.6411 52.8311 26.6411 -8.41936 GPRESSAVG: 4214200 -9.90009 -1.40181 52.0801 -8.20474 25.9966 24.6355 53.5193 28.1147 -8.83295 TIMING: 4214200 CPU: 13376.3, 0.00312041/step Wall: 13376.3, 0.00312041/step, 0.681115 hours remaining, 241.578125 MB of memory in use. ENERGY: 4214200 4015.3920 20637.0452 14452.0433 242.6025 -202897.7495 2379.5169 0.0000 0.0000 51876.5595 -109294.5902 298.1353 -161171.1497 -108948.8001 299.3270 -47.7490 -11.3875 762505.5151 2.5034 2.4212 PRESSURE: 4214400 -246.686 87.5574 -141.112 87.5567 -235.535 85.3058 -141.113 85.3064 11.8703 GPRESSURE: 4214400 -239.003 187.577 -112.798 28.9342 -184.171 -61.3535 -105.521 39.5529 43.7653 PRESSAVG: 4214400 -34.3488 -35.8534 31.0562 -35.8534 16.2587 -2.26222 31.0562 -2.26223 2.14318 GPRESSAVG: 4214400 -36.2248 -35.7524 30.284 -36.2234 16.3562 -3.24518 31.859 -3.26637 4.16871 TIMING: 4214400 CPU: 13376.9, 0.00313451/step Wall: 13376.9, 0.00313451/step, 0.68402 hours remaining, 241.578125 MB of memory in use. ENERGY: 4214400 4022.7874 20232.3349 14368.5161 252.2603 -202900.6977 2190.5425 0.0000 0.0000 52325.8518 -109508.4047 300.7174 -161834.2565 -109141.4701 299.3047 -156.7836 -126.4695 763305.5565 -5.3157 -5.2333 PRESSURE: 4214600 92.4253 -172.197 -89.8843 -172.197 -103.303 205.661 -89.8837 205.661 118.725 GPRESSURE: 4214600 154.419 -124.619 -59.7512 -95.2219 -81.0621 253.651 -48.2831 147.386 116.147 PRESSAVG: 4214600 -34.1213 3.3249 4.62432 3.32492 44.1822 -11.5843 4.62438 -11.5843 -28.8926 GPRESSAVG: 4214600 -33.9271 0.605378 4.1765 3.77617 45.1635 -9.99699 3.61155 -11.4807 -29.9987 TIMING: 4214600 CPU: 13377.5, 0.00315028/step Wall: 13377.5, 0.00315028/step, 0.687285 hours remaining, 241.578125 MB of memory in use. ENERGY: 4214600 4109.6477 20398.0079 14505.8873 246.2978 -203685.8253 2924.7077 0.0000 0.0000 52207.5001 -109293.7769 300.0372 -161501.2770 -108915.7775 299.6998 35.9493 63.1680 760807.2643 -6.2772 -6.2541 PRESSURE: 4214800 -128.491 126.314 129.127 126.315 259.727 16.5059 129.127 16.5048 -358.649 GPRESSURE: 4214800 -121.61 141.084 113.233 27.5282 216.462 -30.3517 103.401 3.07346 -256.347 PRESSAVG: 4214800 33.8536 -37.2761 -34.6949 -37.2762 14.2308 29.1617 -34.6949 29.1617 2.76694 GPRESSAVG: 4214800 34.1852 -36.5685 -34.433 -39.2789 13.8446 29.7103 -34.5754 30.7084 3.08876 TIMING: 4214800 CPU: 13378.2, 0.00313569/step Wall: 13378.2, 0.00313569/step, 0.68393 hours remaining, 241.578125 MB of memory in use. ENERGY: 4214800 4069.7145 20337.7883 14482.4794 249.2764 -203271.4454 2551.7677 0.0000 0.0000 52240.8987 -109339.5204 300.2292 -161580.4191 -108976.8809 299.9035 -75.8041 -53.8318 760146.5799 16.9504 17.0395 PRESSURE: 4215000 -403.179 113.75 163.924 113.751 72.5931 53.2791 163.923 53.2797 -103.278 GPRESSURE: 4215000 -349.832 79.0508 89.5773 61.4243 134.652 72.46 182.66 137.125 -132.549 PRESSAVG: 4215000 -24.4427 -20.4358 28.2197 -20.4359 13.1427 -42.3889 28.2197 -42.3889 4.98539 GPRESSAVG: 4215000 -24.2359 -20.7202 28.9983 -19.3317 13.2026 -42.4812 29.5091 -45.654 5.31247 TIMING: 4215000 CPU: 13378.8, 0.00312595/step Wall: 13378.8, 0.00312595/step, 0.681631 hours remaining, 241.578125 MB of memory in use. ENERGY: 4215000 3964.1944 20720.0139 14472.2356 237.3112 -203158.1175 2340.5747 0.0000 0.0000 52037.4441 -109386.3436 299.0599 -161423.7877 -109027.8809 299.6269 -144.6212 -115.9097 760776.7146 -2.1049 -1.9070 PRESSURE: 4215200 11.3111 -76.4874 -47.4395 -76.4878 103.689 27.1354 -47.4385 27.1351 24.5949 GPRESSURE: 4215200 85.4649 58.3185 -34.3377 -95.1619 57.8558 10.2585 -166.868 93.4383 56.3739 PRESSAVG: 4215200 -12.7464 -64.1204 36.0833 -64.1204 13.5749 15.522 36.0833 15.522 -22.3115 GPRESSAVG: 4215200 -13.7588 -63.4182 34.6435 -64.1755 13.9861 16.4614 33.6904 15.6996 -21.7604 TIMING: 4215200 CPU: 13379.4, 0.00312832/step Wall: 13379.4, 0.00312832/step, 0.681975 hours remaining, 241.578125 MB of memory in use. ENERGY: 4215200 3891.4084 20622.2453 14463.3155 232.7228 -203471.7199 2565.7641 0.0000 0.0000 52308.9546 -109387.3093 300.6203 -161696.2639 -109029.3301 299.8259 46.5318 66.5649 759848.4053 -7.1610 -7.1777 PRESSURE: 4215400 202 7.34594 -87.8301 7.34669 185.823 85.3641 -87.8303 85.3647 82.562 GPRESSURE: 4215400 153.676 -170.887 -163.612 13.844 242.604 109.886 -1.72891 29.7253 152.032 PRESSAVG: 4215400 14.8744 -15.4817 -19.8176 -15.4817 16.08 13.6502 -19.8177 13.6503 -23.6608 GPRESSAVG: 4215400 16.048 -17.0453 -18.6246 -14.4625 15.4406 12.0709 -21.2408 14.9139 -24.036 TIMING: 4215400 CPU: 13380.1, 0.00315018/step Wall: 13380.1, 0.00315018/step, 0.686564 hours remaining, 241.578125 MB of memory in use. ENERGY: 4215400 3948.6621 20576.1577 14432.4574 252.0590 -203492.9489 2662.8985 0.0000 0.0000 52142.4293 -109478.2848 299.6633 -161620.7141 -109103.5259 299.5676 156.7950 182.7706 760107.6539 2.4312 2.4842 PRESSURE: 4215600 -49.1631 101.372 50.2523 101.373 272.573 215.046 50.2524 215.046 -200.956 GPRESSURE: 4215600 71.5774 102.315 31.1931 64.0751 173.571 229.391 -18.5987 179.152 -147.364 PRESSAVG: 4215600 32.6445 -1.75671 -22.1574 -1.75664 -44.5967 -22.2172 -22.1575 -22.2172 -14.3541 GPRESSAVG: 4215600 32.2012 0.382835 -23.1933 -2.83887 -43.8737 -23.0031 -20.4049 -21.7245 -14.8206 TIMING: 4215600 CPU: 13380.7, 0.00315085/step Wall: 13380.7, 0.00315085/step, 0.686536 hours remaining, 241.578125 MB of memory in use. ENERGY: 4215600 4065.4764 20484.3262 14424.0472 253.0461 -203149.6795 2069.0209 0.0000 0.0000 52284.4119 -109569.3508 300.4792 -161853.7628 -109196.6049 299.6063 7.4847 32.5948 759110.4063 -8.7687 -8.8310 PRESSURE: 4215800 -122.431 195.642 222.803 195.642 -77.7059 -71.8973 222.803 -71.8972 61.0191 GPRESSURE: 4215800 -131.08 195.093 158.026 204.681 44.1252 -128.078 173.456 73.7843 38.8474 PRESSAVG: 4215800 -17.2445 40.4825 -23.268 40.4826 26.5697 -14.2703 -23.268 -14.2702 9.84149 GPRESSAVG: 4215800 -16.4609 38.1906 -22.6089 40.4406 26.2994 -13.5755 -23.4079 -16.4719 9.69725 TIMING: 4215800 CPU: 13381.3, 0.00315794/step Wall: 13381.3, 0.00315794/step, 0.687904 hours remaining, 241.578125 MB of memory in use. ENERGY: 4215800 3986.4379 20599.7317 14508.7750 263.4419 -203424.2613 2551.9135 0.0000 0.0000 52162.3691 -109351.5923 299.7779 -161513.9614 -108996.8682 299.2498 -46.3725 -16.0357 759979.5250 6.3889 6.5119 PRESSURE: 4216000 -106.283 48.6081 -245.123 48.6088 9.62958 -122.122 -245.123 -122.123 -62.8653 GPRESSURE: 4216000 -12.2077 57.1211 -128.878 28.3056 -8.06005 -66.5935 -186.269 -85.2125 -58.5596 PRESSAVG: 4216000 -44.444 -29.3382 22.7945 -29.3382 48.1581 -5.12576 22.7945 -5.12578 7.42506 GPRESSAVG: 4216000 -44.7099 -27.9371 22.8286 -31.0544 48.1246 -4.66228 22.5142 -4.56608 7.83019 TIMING: 4216000 CPU: 13381.9, 0.00316388/step Wall: 13381.9, 0.00316388/step, 0.689022 hours remaining, 241.578125 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: 4216000 3984.6378 20577.9392 14482.2445 258.0087 -203126.6280 2306.5237 0.0000 0.0000 52214.7949 -109302.4791 300.0791 -161517.2740 -108942.2092 299.2648 -53.1728 -26.2758 760769.3583 3.7131 3.7483 PRESSURE: 4216200 39.6204 32.3887 23.1523 32.3894 -458.231 53.2781 23.1523 53.2791 -217.839 GPRESSURE: 4216200 -23.0562 -28.2648 -48.0419 -34.891 -400.723 59.5716 -44.6427 0.238393 -136.714 PRESSAVG: 4216200 -0.773926 -55.2559 -51.9113 -55.2559 22.2331 -22.995 -51.9113 -22.995 -15.549 GPRESSAVG: 4216200 -0.653809 -55.3063 -52.909 -54.7077 22.2804 -23.9781 -51.3754 -24.2793 -15.4675 TIMING: 4216200 CPU: 13382.6, 0.00315422/step Wall: 13382.6, 0.00315422/step, 0.686743 hours remaining, 241.578125 MB of memory in use. ENERGY: 4216200 3988.1295 20396.5786 14512.0700 238.7966 -202951.4476 2192.3571 0.0000 0.0000 52248.1901 -109375.3258 300.2711 -161623.5158 -109015.5320 300.1324 -212.1498 -186.8309 761995.2346 1.9701 2.0530 LDB: ============= START OF LOAD BALANCING ============== 13395 LDB: ============== END OF LOAD BALANCING =============== 13395 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13395 LDB: ============= START OF LOAD BALANCING ============== 13395.3 LDB: Largest compute 7031 load 0.034605 is 17.7% of average load 0.195502 LDB: Average compute 0.004403 is 2.3% of average load 0.195502 LDB: TIME 13395.3 LOAD: AVG 0.195502 MAX 0.21296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.73 MB LDB: TIME 13395.3 LOAD: AVG 0.195502 MAX 0.21296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: TIME 13395.3 LOAD: AVG 0.195502 MAX 0.21296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.77 MB LDB: ============== END OF LOAD BALANCING =============== 13395.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13395.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4216400 387.07 -35.0348 152.482 -35.0347 75.3273 -0.451982 152.481 -0.451208 172.219 GPRESSURE: 4216400 349.32 4.10998 265.182 -46.822 204.513 24.8725 73.9349 114.864 162.616 PRESSAVG: 4216400 51.6705 -2.09734 -22.6958 -2.09739 -57.271 -12.5849 -22.6958 -12.5848 1.52047 GPRESSAVG: 4216400 49.8495 -2.27844 -21.2396 -2.38987 -55.2925 -12.7287 -24.8598 -11.4548 1.78646 TIMING: 4216400 CPU: 13383.2, 0.00321597/step Wall: 13383.2, 0.00321597/step, 0.70001 hours remaining, 238.812500 MB of memory in use. ENERGY: 4216400 3982.6679 20568.5917 14458.9951 247.0108 -203281.7719 2536.1097 0.0000 0.0000 52097.0720 -109391.3247 299.4026 -161488.3967 -109022.1220 299.6431 211.5389 238.8163 760003.3594 -1.3600 -1.2189 PRESSURE: 4216600 12.4583 -114.231 -41.8059 -114.232 268.729 -104.683 -41.8055 -104.682 -62.5896 GPRESSURE: 4216600 44.2073 96.7434 -79.2726 -124.281 356.955 -130.621 -3.42204 -84.5722 -114.868 PRESSAVG: 4216600 22.5814 24.4074 17.1997 24.4074 5.91806 -8.90303 17.1996 -8.903 7.85541 GPRESSAVG: 4216600 23.3318 25.5612 18.3848 23.7093 4.99183 -9.09268 20.1698 -7.26576 8.37752 TIMING: 4216600 CPU: 13383.8, 0.00314279/step Wall: 13383.8, 0.00314279/step, 0.683906 hours remaining, 238.812500 MB of memory in use. ENERGY: 4216600 4015.8807 20622.0679 14529.1042 242.4206 -203213.1206 2445.3034 0.0000 0.0000 51950.4891 -109407.8547 298.5602 -161358.3438 -109046.8795 299.8479 72.8660 95.4312 759933.6518 12.1183 12.2337 PRESSURE: 4216800 59.1768 21.0698 86.1327 21.0702 179.095 308.784 86.1316 308.784 219.759 GPRESSURE: 4216800 177.682 -59.6877 65.8996 -47.6823 198.012 303.692 27.0833 245.992 155.224 PRESSAVG: 4216800 41.5322 -57.9104 -41.3237 -57.9104 -34.0579 2.58046 -41.3238 2.5805 1.61397 GPRESSAVG: 4216800 42.8782 -59.0163 -42.8732 -55.5049 -35.1286 2.83347 -42.5283 1.50636 1.27588 TIMING: 4216800 CPU: 13384.5, 0.00314838/step Wall: 13384.5, 0.00314838/step, 0.684948 hours remaining, 238.812500 MB of memory in use. ENERGY: 4216800 3950.8296 20669.6529 14440.8579 252.5689 -203284.8742 2492.4639 0.0000 0.0000 52127.6460 -109350.8550 299.5783 -161478.5010 -108984.0446 299.4836 152.6770 176.9727 759587.7553 3.0294 3.0085 PRESSURE: 4217000 198.404 145.317 136.683 145.317 109.139 118.629 136.684 118.628 371.88 GPRESSURE: 4217000 297.952 123.405 129.716 158.242 95.1344 45.3071 74.7821 46.9017 386.989 PRESSAVG: 4217000 53.6416 -27.1292 -9.89619 -27.1293 -30.9525 12.8362 -9.8962 12.8362 -14.2241 GPRESSAVG: 4217000 54.1653 -28.2931 -10.664 -26.9621 -30.8551 12.6052 -10.0015 11.8982 -14.2203 TIMING: 4217000 CPU: 13385.1, 0.00315943/step Wall: 13385.1, 0.00315943/step, 0.687177 hours remaining, 238.812500 MB of memory in use. ENERGY: 4217000 3921.4623 20456.5865 14469.4809 251.2835 -203310.2523 2640.9480 0.0000 0.0000 52243.4231 -109327.0679 300.2437 -161570.4910 -108967.8297 299.9047 226.4744 260.0251 760795.5978 2.8217 3.0300 PRESSURE: 4217200 -430.414 95.5739 -170.518 95.5742 65.9512 -1.36151 -170.518 -1.36143 104.991 GPRESSURE: 4217200 -378.32 82.3509 -135.452 118.59 130.734 -39.1603 -79.8123 50.6693 55.0245 PRESSAVG: 4217200 22.3029 -37.2722 22.5968 -37.2722 -17.269 7.44903 22.5968 7.44901 -0.69777 GPRESSAVG: 4217200 21.0229 -35.9103 23.5278 -40.5367 -16.1122 7.54689 23.2702 8.59231 -1.37384 TIMING: 4217200 CPU: 13385.7, 0.00316781/step Wall: 13385.7, 0.00316781/step, 0.688822 hours remaining, 238.812500 MB of memory in use. ENERGY: 4217200 3945.1214 20599.4892 14507.7103 263.8048 -203055.8495 2207.3669 0.0000 0.0000 51960.9150 -109571.4419 298.6201 -161532.3569 -109217.9732 299.7422 -86.4908 -64.1872 761680.8086 1.4454 1.1789 PRESSURE: 4217400 -152.209 -101.63 -27.0718 -101.63 -118.285 -28.3995 -27.0717 -28.399 -26.5308 GPRESSURE: 4217400 -173.391 -239.295 -38.9341 -19.6522 -52.2861 -70.2874 -62.9908 3.37004 0.151837 PRESSAVG: 4217400 -49.6442 -36.6823 39.4849 -36.6823 37.4733 -15.2243 39.4849 -15.2243 -21.8327 GPRESSAVG: 4217400 -51.0804 -39.2678 39.4331 -33.1142 38.0791 -14.8764 39.3317 -15.9176 -21.7547 TIMING: 4217400 CPU: 13386.4, 0.00313906/step Wall: 13386.4, 0.00313906/step, 0.682397 hours remaining, 238.812500 MB of memory in use. ENERGY: 4217400 4006.0115 20622.1373 14351.9067 225.2709 -203282.5286 2315.1563 0.0000 0.0000 51870.9562 -109891.0897 298.1031 -161762.0460 -109532.3705 298.8984 -99.0083 -75.1751 760169.6429 -11.3345 -11.5854 PRESSURE: 4217600 3.48096 -32.0032 20.0234 -32.0032 53.1907 40.6295 20.0241 40.629 -112.629 GPRESSURE: 4217600 89.0743 -84.8878 -7.07144 34.0708 103.279 105.199 -34.9113 -51.1794 -149.437 PRESSAVG: 4217600 6.33266 -9.55193 24.6633 -9.55201 17.8752 33.9198 24.6633 33.9198 -8.28981 GPRESSAVG: 4217600 7.88657 -7.1807 25.1138 -10.6654 16.2215 33.6051 24.9169 34.188 -7.87702 TIMING: 4217600 CPU: 13387, 0.00316014/step Wall: 13387, 0.00316014/step, 0.686803 hours remaining, 238.812500 MB of memory in use. ENERGY: 4217600 3934.1033 20624.2227 14400.1367 266.1780 -203876.1584 2831.2331 0.0000 0.0000 52051.0394 -109769.2451 299.1380 -161820.2845 -109410.1740 298.7783 -18.6526 14.3053 761521.8523 5.3060 5.4104 PRESSURE: 4217800 326.747 120.408 285.056 120.408 452.025 -111.515 285.056 -111.514 123.779 GPRESSURE: 4217800 385.622 127.74 267.822 88.2761 436.677 -70.5439 162.103 -20.5988 166.442 PRESSAVG: 4217800 -25.1987 -23.5075 26.2482 -23.5075 -26.5649 16.8386 26.2482 16.8385 -10.873 GPRESSAVG: 4217800 -23.8238 -22.8422 25.8099 -24.5673 -26.5014 17.2677 26.5261 18.733 -11.7186 TIMING: 4217800 CPU: 13387.6, 0.00314896/step Wall: 13387.6, 0.00314896/step, 0.684199 hours remaining, 238.812500 MB of memory in use. ENERGY: 4217800 3955.9141 20522.5282 14365.3971 262.4321 -203683.5171 2790.7376 0.0000 0.0000 52054.0803 -109732.4278 299.1555 -161786.5081 -109369.3260 298.7238 300.8504 329.5804 759416.1183 -20.8788 -20.6813 PRESSURE: 4218000 134.334 -135.508 123.961 -135.507 -27.4337 -279.885 123.961 -279.885 364.4 GPRESSURE: 4218000 165.172 -7.24549 146.779 -137.275 -31.4735 -378.275 76.291 -198.168 403.629 PRESSAVG: 4218000 48.4027 29.452 -6.8277 29.452 -65.3171 -16.394 -6.82771 -16.394 -4.69043 GPRESSAVG: 4218000 49.0897 29.6226 -7.42468 29.8871 -64.8553 -16.6693 -7.00903 -18.6804 -6.05145 TIMING: 4218000 CPU: 13388.3, 0.00313699/step Wall: 13388.3, 0.00313699/step, 0.681425 hours remaining, 238.812500 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: 4218000 3926.6657 20750.1686 14506.6157 242.9147 -203556.7460 2744.2099 0.0000 0.0000 51744.0787 -109642.0927 297.3739 -161386.1714 -109298.7455 298.7517 157.1001 179.1092 760537.6212 -7.2016 -7.2724 PRESSURE: 4218200 -349.892 144.641 -269.8 144.641 69.8817 13.2647 -269.801 13.2642 -226.917 GPRESSURE: 4218200 -224.04 156.62 -257.199 42.5326 72.0256 84.0796 -202.309 -118.524 -259.071 PRESSAVG: 4218200 -40.9538 53.3993 39.4294 53.3993 -6.22712 -48.7664 39.4294 -48.7664 18.8644 GPRESSAVG: 4218200 -42.8805 52.2783 38.7337 53.5371 -6.05969 -49.13 38.5102 -47.4462 20.9518 TIMING: 4218200 CPU: 13388.9, 0.00312257/step Wall: 13388.9, 0.00312257/step, 0.678117 hours remaining, 238.812500 MB of memory in use. ENERGY: 4218200 4068.1189 20668.7500 14412.6871 259.8085 -203280.9804 2379.0507 0.0000 0.0000 51922.1329 -109570.4323 298.3972 -161492.5653 -109214.8620 299.5243 -168.9756 -137.0284 761397.3967 -9.4388 -9.3295 PRESSURE: 4218400 183.224 59.3827 56.8632 59.3814 68.5411 200.786 56.8626 200.786 108.988 GPRESSURE: 4218400 198.52 112.508 3.71376 81.3389 84.4587 205.649 214.098 253.11 154.255 PRESSAVG: 4218400 -18.783 53.4826 32.9179 53.4826 -15.8088 15.667 32.9178 15.667 -8.62213 GPRESSAVG: 4218400 -18.8021 54.3521 33.4471 53.2966 -15.4257 17.1437 33.8001 14.2787 -9.2393 TIMING: 4218400 CPU: 13389.5, 0.00313321/step Wall: 13389.5, 0.00313321/step, 0.680254 hours remaining, 238.812500 MB of memory in use. ENERGY: 4218400 4026.7613 20728.8721 14406.9750 235.3383 -203436.9624 2658.7161 0.0000 0.0000 51823.4670 -109556.8326 297.8302 -161380.2996 -109201.5341 299.0116 120.2511 145.7446 760536.1120 -14.4047 -14.4890 PRESSURE: 4218600 234.06 129.738 155.181 129.739 0.616969 -25.4256 155.181 -25.4258 -233.351 GPRESSURE: 4218600 342.553 157.793 126.748 127.756 56.4593 -53.692 250.109 -48.4463 -306.967 PRESSAVG: 4218600 -22.8776 -21.9276 9.79995 -21.9275 3.47208 20.2957 9.79991 20.2957 4.02609 GPRESSAVG: 4218600 -21.6628 -23.8356 12.4511 -20.5473 2.94566 20.464 10.8157 18.5915 3.75687 TIMING: 4218600 CPU: 13390.1, 0.00312404/step Wall: 13390.1, 0.00312404/step, 0.67809 hours remaining, 238.812500 MB of memory in use. ENERGY: 4218600 3975.8880 20563.0991 14492.3488 238.1448 -203432.3964 2553.2228 0.0000 0.0000 52204.2855 -109405.4074 300.0187 -161609.6929 -109040.4887 299.6008 0.4420 30.6816 762519.3143 -5.1265 -4.9868 PRESSURE: 4218800 210.519 168.926 -205.853 168.927 254.24 -48.3089 -205.852 -48.3088 232.259 GPRESSURE: 4218800 200.644 133.667 -303.206 174.176 349.029 -41.1571 -213.261 -16.2964 224.626 PRESSAVG: 4218800 -44.2191 -50.7725 33.0529 -50.7725 24.0962 -33.5726 33.0529 -33.5726 26.9973 GPRESSAVG: 4218800 -45.5556 -51.047 30.1663 -52.332 24.7816 -34.9908 34.0123 -31.9698 27.7313 TIMING: 4218800 CPU: 13390.8, 0.00312756/step Wall: 13390.8, 0.00312756/step, 0.678681 hours remaining, 238.812500 MB of memory in use. ENERGY: 4218800 3916.5821 20610.8894 14548.7453 267.0312 -203277.8370 2514.5213 0.0000 0.0000 51969.6877 -109450.3800 298.6705 -161420.0678 -109088.3789 299.3910 232.3394 258.0998 759739.7299 2.2914 2.3191 PRESSURE: 4219000 41.7768 -84.2722 43.8694 -84.2732 227.906 5.48848 43.8698 5.48952 143.496 GPRESSURE: 4219000 -10.5992 91.5578 20.4158 -84.1667 297.615 -39.4013 76.0349 49.1185 207.344 PRESSAVG: 4219000 -33.129 32.6879 11.9453 32.6878 36.9836 -22.6552 11.9454 -22.6552 -13.2105 GPRESSAVG: 4219000 -33.011 31.967 11.7555 35.2279 36.3023 -21.1035 9.4022 -21.4548 -12.9194 TIMING: 4219000 CPU: 13391.4, 0.00312157/step Wall: 13391.4, 0.00312157/step, 0.677208 hours remaining, 238.812500 MB of memory in use. ENERGY: 4219000 4013.4828 20525.7959 14527.3935 258.2332 -203726.8984 2480.6290 0.0000 0.0000 52111.3474 -109810.0166 299.4846 -161921.3640 -109444.0423 298.9647 137.7261 164.7866 758959.4161 -3.1186 -3.2094 PRESSURE: 4219200 89.127 68.2939 -4.50347 68.2932 113.129 31.1211 -4.50374 31.1214 18.7385 GPRESSURE: 4219200 191.915 -51.5177 97.5109 57.9437 133.859 0.861803 62.681 52.0809 -26.2882 PRESSAVG: 4219200 -4.93444 29.8427 44.2987 29.8427 39.9392 -24.7401 44.2986 -24.7401 -7.78134 GPRESSAVG: 4219200 -4.87526 30.7087 45.1487 28.7582 40.4317 -25.9466 44.4283 -27.2478 -8.1129 TIMING: 4219200 CPU: 13392, 0.0031336/step Wall: 13392, 0.00313359/step, 0.679642 hours remaining, 238.812500 MB of memory in use. ENERGY: 4219200 4059.8037 20439.2907 14437.6851 248.5984 -203404.1426 2391.4691 0.0000 0.0000 51882.9906 -109944.3049 298.1723 -161827.2955 -109587.7830 298.6586 73.6649 99.8285 757476.7999 9.0745 9.1478 PRESSURE: 4219400 -209.286 20.7384 -147.715 20.7378 222.975 -50.7729 -147.715 -50.773 -161.598 GPRESSURE: 4219400 -169.856 -44.1641 -215.958 -82.2094 264.518 6.2502 -157.079 -14.6956 -158.125 PRESSAVG: 4219400 10.2061 -26.8875 66.9287 -26.8876 -5.76458 -12.0273 66.9287 -12.0273 -0.387323 GPRESSAVG: 4219400 11.1069 -26.998 68.1998 -27.4469 -6.58209 -11.4792 68.169 -10.0649 -1.01274 TIMING: 4219400 CPU: 13392.6, 0.00312976/step Wall: 13392.6, 0.00312976/step, 0.678637 hours remaining, 238.812500 MB of memory in use. ENERGY: 4219400 4017.3167 20510.7349 14457.9691 257.9571 -203900.4850 2907.8257 0.0000 0.0000 51859.6470 -109889.0346 298.0381 -161748.6815 -109531.3555 298.5808 -49.3030 -21.1546 759113.7757 1.3514 1.1707 PRESSURE: 4219600 285.425 259.604 2.13944 259.605 17.1407 134.496 2.13975 134.496 -258.889 GPRESSURE: 4219600 196.693 249.244 -23.902 253.125 108.211 26.4687 -76.6975 208.867 -179.319 PRESSAVG: 4219600 -5.82379 -15.3609 37.8478 -15.3609 38.7552 -11.8671 37.8479 -11.8671 -6.37937 GPRESSAVG: 4219600 -7.85751 -18.2291 34.9711 -13.6428 38.9106 -12.0908 36.2136 -12.5216 -4.75716 TIMING: 4219600 CPU: 13393.3, 0.00312514/step Wall: 13393.3, 0.00312514/step, 0.677462 hours remaining, 238.812500 MB of memory in use. ENERGY: 4219600 4035.2323 20733.3017 14439.4016 234.6330 -203707.0524 2889.7019 0.0000 0.0000 51711.8130 -109662.9690 297.1885 -161374.7820 -109312.2579 298.9148 14.5589 41.8618 759669.7505 8.8507 8.7653 PRESSURE: 4219800 -201.257 78.8966 447.902 78.8969 133.836 146.211 447.903 146.213 -530.163 GPRESSURE: 4219800 -139.953 -25.6789 417.683 75.9348 177.434 109.734 343.319 134.261 -546.951 PRESSAVG: 4219800 -26.9958 2.92707 84.3225 2.92699 26.6998 44.0423 84.3225 44.0424 -6.29899 GPRESSAVG: 4219800 -24.976 4.94616 85.1769 1.94707 26.9123 43.9787 81.3049 45.1822 -7.63057 TIMING: 4219800 CPU: 13393.9, 0.00314247/step Wall: 13393.9, 0.00314247/step, 0.681043 hours remaining, 238.812500 MB of memory in use. ENERGY: 4219800 4030.4507 20535.6803 14522.2437 251.9774 -203655.6159 2630.5076 0.0000 0.0000 51936.6781 -109748.0782 298.4808 -161684.7563 -109390.2987 298.8808 -199.1944 -169.8233 761385.4644 -2.1983 -1.8981 PRESSURE: 4220000 -295.342 40.1549 -115.324 40.1545 165.499 45.6449 -115.325 45.6462 -410.808 GPRESSURE: 4220000 -273.364 -38.8963 -87.4822 139.832 166.16 16.5151 -71.7694 64.151 -344.562 PRESSAVG: 4220000 -34.1981 -6.40199 22.5291 -6.40197 62.3245 5.60968 22.5291 5.60962 9.70737 GPRESSAVG: 4220000 -33.8073 -5.16037 24.5166 -7.68548 61.3426 3.11339 24.2372 6.61021 10.0138 TIMING: 4220000 CPU: 13394.5, 0.00314762/step Wall: 13394.5, 0.00314762/step, 0.681984 hours remaining, 238.812500 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: 4220000 4004.4254 20587.1800 14441.8481 251.7422 -203323.6739 2385.6489 0.0000 0.0000 52228.3515 -109424.4779 300.1571 -161652.8294 -109066.7859 298.9203 -180.2169 -150.5885 761779.1880 12.6113 12.5164 PRESSURE: 4220200 -147.488 -65.2831 15.4389 -65.2831 -80.3555 184.715 15.4392 184.716 92.073 GPRESSURE: 4220200 -119.908 -140.503 31.0984 -5.28735 -20.0861 121.267 109.13 177.087 64.2718 PRESSAVG: 4220200 -25.439 -13.504 1.42731 -13.504 55.5974 -33.9965 1.42731 -33.9965 32.8882 GPRESSAVG: 4220200 -25.4677 -14.4068 1.29356 -11.8964 55.2677 -30.2082 1.08199 -34.9195 32.6371 TIMING: 4220200 CPU: 13395.2, 0.00314944/step Wall: 13395.2, 0.00314944/step, 0.682204 hours remaining, 238.812500 MB of memory in use. ENERGY: 4220200 3955.9436 20631.3332 14482.5600 279.7149 -203191.8443 2513.0929 0.0000 0.0000 52128.7381 -109200.4616 299.5846 -161329.1997 -108837.8228 299.9722 -45.2567 -25.2407 759413.8686 21.0155 20.8124 LDB: ============= START OF LOAD BALANCING ============== 13407.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13407.6 LDB: =============== DONE WITH MIGRATION ================ 13407.6 LDB: ============= START OF LOAD BALANCING ============== 13407.9 LDB: Largest compute 7056 load 0.036464 is 18.7% of average load 0.195456 LDB: Average compute 0.004385 is 2.2% of average load 0.195456 LDB: TIME 13407.9 LOAD: AVG 0.195456 MAX 0.215262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 13407.9 LOAD: AVG 0.195456 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 13407.9 LOAD: AVG 0.195456 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 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: 4220400 -45.4806 106.735 -121.314 106.735 -297.51 -125.799 -121.314 -125.799 -124.106 GPRESSURE: 4220400 -40.6828 148.297 4.73335 137.759 -228.926 10.3058 -152.837 -90.6771 -106.097 PRESSAVG: 4220400 -24.6947 8.03408 45.7714 8.03404 51.9465 -73.1471 45.7715 -73.1471 -20.936 GPRESSAVG: 4220400 -26.3723 8.57725 44.4966 6.38377 52.8902 -73.1869 47.2991 -74.6998 -20.4504 TIMING: 4220400 CPU: 13395.8, 0.00319511/step Wall: 13395.8, 0.0031951/step, 0.691918 hours remaining, 239.324219 MB of memory in use. ENERGY: 4220400 4008.2604 20693.5413 14433.0350 246.6741 -202938.8349 2263.7397 0.0000 0.0000 51975.0791 -109318.5052 298.7015 -161293.5843 -108959.3220 299.8756 -155.6988 -125.2355 760583.9984 2.1053 2.0225 PRESSURE: 4220600 189.934 -59.187 107.353 -59.1877 215.948 -280.307 107.353 -280.307 244.547 GPRESSURE: 4220600 319.506 -55.8303 104.128 -32.4169 316.413 -219.102 23.3675 -350.604 107.907 PRESSAVG: 4220600 -32.805 31.544 14.708 31.544 25.3984 -3.51196 14.708 -3.51196 21.2257 GPRESSAVG: 4220600 -32.5307 31.8119 16.0583 32.4368 24.3354 -3.65489 15.2893 -2.28981 22.4428 TIMING: 4220600 CPU: 13396.4, 0.00313093/step Wall: 13396.4, 0.00313093/step, 0.677847 hours remaining, 239.324219 MB of memory in use. ENERGY: 4220600 3943.2280 20473.0793 14435.4595 243.5459 -203635.0731 2868.0497 0.0000 0.0000 52199.1084 -109472.6022 299.9890 -161671.7106 -109104.7725 299.7542 216.8100 247.9422 759614.7540 4.6064 4.7492 PRESSURE: 4220800 197.353 -147.583 297.719 -147.584 218.709 103.056 297.72 103.056 7.96235 GPRESSURE: 4220800 255.174 -130.32 321.699 -192.062 208.405 26.2978 159.768 40.5485 52.3086 PRESSAVG: 4220800 34.3556 -71.5258 3.37281 -71.5257 -15.0013 -39.6999 3.37276 -39.6999 -15.7407 GPRESSAVG: 4220800 35.5873 -71.8313 4.49892 -71.8363 -14.84 -39.4878 0.222212 -43.7083 -17.583 TIMING: 4220800 CPU: 13397.1, 0.00316639/step Wall: 13397.1, 0.00316639/step, 0.685349 hours remaining, 239.324219 MB of memory in use. ENERGY: 4220800 3971.7958 20564.4388 14480.2419 234.4732 -203409.1157 2579.8605 0.0000 0.0000 52054.6979 -109523.6077 299.1591 -161578.3056 -109157.5571 299.0653 141.3415 171.9626 761508.6616 1.2045 1.0548 PRESSURE: 4221000 -148.517 -5.02468 72.51 -5.0241 276.037 -193.371 72.5112 -193.37 -715.659 GPRESSURE: 4221000 -133.234 38.1944 119.561 85.1055 281.108 -164.14 139.381 -188.652 -656.69 PRESSAVG: 4221000 -30.2592 11.7686 39.8055 11.7686 26.8323 -26.4653 39.8055 -26.4653 3.29285 GPRESSAVG: 4221000 -29.5036 13.3376 37.2925 11.7013 26.8383 -28.4395 41.5575 -21.9733 2.89339 TIMING: 4221000 CPU: 13397.7, 0.00314565/step Wall: 13397.7, 0.00314565/step, 0.680683 hours remaining, 239.324219 MB of memory in use. ENERGY: 4221000 4038.4264 20429.1151 14452.9802 254.1796 -203111.8500 2492.4564 0.0000 0.0000 52001.5393 -109443.1531 298.8536 -161444.6923 -109086.0893 299.2873 -196.0465 -169.6054 761934.7482 -0.0447 0.0760 PRESSURE: 4221200 -266.833 111.509 2.19959 111.509 -120.485 125.738 2.20037 125.738 -251.29 GPRESSURE: 4221200 -222.542 86.1086 -14.1516 -132.221 -15.2785 146.832 -116.244 153.2 -310.856 PRESSAVG: 4221200 -41.9674 -34.8585 15.0049 -34.8585 48.4053 -5.85264 15.0049 -5.85266 -9.09709 GPRESSAVG: 4221200 -43.8221 -36.342 14.2754 -35.1105 49.4924 -5.18372 14.9915 -6.85211 -8.37028 TIMING: 4221200 CPU: 13398.3, 0.00316424/step Wall: 13398.3, 0.00316425/step, 0.684532 hours remaining, 239.324219 MB of memory in use. ENERGY: 4221200 3966.8814 20436.3578 14482.0074 243.6986 -203169.3840 2395.4847 0.0000 0.0000 52081.9912 -109562.9629 299.3159 -161644.9541 -109194.5965 299.7015 -212.8694 -182.8922 761901.0651 -0.8864 -0.9000 PRESSURE: 4221400 -165.642 -67.4685 -31.6798 -67.4677 1.49562 -185.336 -31.6807 -185.334 -49.5969 GPRESSURE: 4221400 -116.267 -57.5798 -45.185 -92.2939 -31.0903 -37.1663 -60.7586 -185.856 5.75846 PRESSAVG: 4221400 1.75423 10.0482 -23.9484 10.0482 36.5103 -15.4387 -23.9484 -15.4387 -15.7025 GPRESSAVG: 4221400 1.34385 10.0291 -22.8846 11.5867 35.0249 -13.7885 -22.2485 -16.0457 -14.2366 TIMING: 4221400 CPU: 13398.9, 0.00316356/step Wall: 13398.9, 0.00316356/step, 0.684208 hours remaining, 239.324219 MB of memory in use. ENERGY: 4221400 4047.4162 20497.3952 14376.4943 240.9232 -203690.9908 2700.4103 0.0000 0.0000 52323.4045 -109504.9472 300.7033 -161828.3517 -109140.0084 299.3107 -71.2477 -47.1998 761398.1303 7.5207 7.3774 PRESSURE: 4221600 166.768 149.306 306.374 149.306 203.198 -165.993 306.374 -165.992 -95.745 GPRESSURE: 4221600 261.017 41 374.206 102.802 169.12 -167.443 197.771 -226.894 -81.5133 PRESSAVG: 4221600 53.1135 18.5955 -19.2253 18.5954 -54.4097 -18.3752 -19.2255 -18.3752 14.1054 GPRESSAVG: 4221600 53.8454 19.3753 -18.923 18.5883 -54.1533 -19.4161 -20.7831 -18.347 13.3093 TIMING: 4221600 CPU: 13399.6, 0.00317952/step Wall: 13399.6, 0.00317952/step, 0.687483 hours remaining, 239.324219 MB of memory in use. ENERGY: 4221600 4039.6159 20623.4439 14457.2707 245.4307 -203730.3359 2701.1771 0.0000 0.0000 52175.8370 -109487.5604 299.8553 -161663.3975 -109125.5607 299.5296 91.4070 116.2079 760035.1655 4.2697 4.3338 PRESSURE: 4221800 -291.749 147.608 -34.9451 147.608 -132.263 -117.481 -34.9451 -117.481 -368.33 GPRESSURE: 4221800 -257.318 158.333 -17.4339 74.1283 -107.311 -98.3848 -25.0787 -25.7108 -330.914 PRESSAVG: 4221800 12.0211 3.92291 32.4047 3.92292 -3.23581 3.5859 32.4047 3.58588 9.56223 GPRESSAVG: 4221800 10.8407 4.71467 32.0396 3.63121 -2.01503 4.22994 32.8659 3.193 9.99946 TIMING: 4221800 CPU: 13400.2, 0.0031578/step Wall: 13400.2, 0.0031578/step, 0.682611 hours remaining, 239.324219 MB of memory in use. ENERGY: 4221800 4039.1730 20594.8257 14464.6577 228.5753 -203085.2991 2153.5974 0.0000 0.0000 52326.0011 -109278.4690 300.7182 -161604.4701 -108923.7915 299.7473 -264.1138 -231.8477 761463.6024 6.1158 6.2751 PRESSURE: 4222000 152.461 -28.6469 18.3625 -28.6462 49.2238 45.9275 18.3633 45.928 -205.893 GPRESSURE: 4222000 169.777 22.2715 -57.5962 -125.752 107.652 49.9128 9.20202 76.6177 -204.578 PRESSAVG: 4222000 32.6943 -17.5997 6.88175 -17.5997 -12.9762 9.80681 6.88175 9.80679 -13.3178 GPRESSAVG: 4222000 33.7126 -18.7379 5.61508 -18.9589 -14.3144 10.4886 7.14172 10.6611 -13.2338 TIMING: 4222000 CPU: 13400.8, 0.00316423/step Wall: 13400.8, 0.00316422/step, 0.683824 hours remaining, 239.324219 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: 4222000 4017.6725 20572.5074 14470.0525 246.7758 -203307.9271 2393.9450 0.0000 0.0000 52182.9786 -109423.9953 299.8963 -161606.9739 -109069.3532 299.9800 -1.4026 24.2839 760793.0891 2.1334 2.0548 PRESSURE: 4222200 -506.073 156.085 72.7624 156.085 -460.644 -364.516 72.7624 -364.517 -563.352 GPRESSURE: 4222200 -483.842 100.777 33.5726 85.567 -415.867 -374.917 2.22524 -300.651 -545.656 PRESSAVG: 4222200 89.6704 -10.6802 -30.3421 -10.6802 -29.0966 0.874208 -30.3422 0.874228 -1.42483 GPRESSAVG: 4222200 89.0684 -10.844 -28.9121 -10.1707 -28.0159 -0.139297 -30.3454 0.633188 -0.929737 TIMING: 4222200 CPU: 13401.5, 0.0031461/step Wall: 13401.5, 0.0031461/step, 0.679732 hours remaining, 239.324219 MB of memory in use. ENERGY: 4222200 3985.8659 20805.5731 14496.5940 240.6279 -203164.1654 2336.8181 0.0000 0.0000 51648.1349 -109650.5515 296.8225 -161298.6864 -109303.8807 299.1241 -510.0231 -481.7884 763454.3062 19.7163 20.0409 PRESSURE: 4222400 -73.2295 -12.8919 -252.364 -12.8921 -301.362 -67.3894 -252.364 -67.3896 -249.006 GPRESSURE: 4222400 -120.291 -58.6084 -244.339 4.92751 -287.61 -72.4805 -174.275 -123.496 -144.587 PRESSAVG: 4222400 4.76062 22.326 -87.4733 22.326 -40.8876 -5.37931 -87.4733 -5.37922 12.1443 GPRESSAVG: 4222400 4.05944 22.598 -86.811 21.9573 -40.7262 -5.18144 -87.1173 -6.81389 12.6515 TIMING: 4222400 CPU: 13402.1, 0.00315438/step Wall: 13402.1, 0.00315438/step, 0.681347 hours remaining, 239.324219 MB of memory in use. ENERGY: 4222400 3918.7430 20506.6743 14420.4438 232.7439 -202998.1181 2423.3954 0.0000 0.0000 52021.2851 -109474.8327 298.9670 -161496.1178 -109105.6550 298.6224 -207.8657 -184.1630 763338.7666 -7.9942 -8.0051 PRESSURE: 4222600 37.9883 115.816 132.27 115.815 -107.21 181.411 132.271 181.41 187.944 GPRESSURE: 4222600 173.679 138.289 180.493 74.603 -47.2636 188.435 38.2668 87.3687 87.4026 PRESSAVG: 4222600 -4.5657 -20.576 -89.5485 -20.576 13.5903 -55.1481 -89.5485 -55.1481 11.0917 GPRESSAVG: 4222600 -2.61052 -20.5084 -88.5161 -19.698 13.1931 -55.6643 -90.8694 -54.7061 10.1095 TIMING: 4222600 CPU: 13402.7, 0.00315646/step Wall: 13402.7, 0.00315646/step, 0.68162 hours remaining, 239.324219 MB of memory in use. ENERGY: 4222600 4007.2742 20720.3434 14403.9066 227.9693 -203510.5468 2726.4585 0.0000 0.0000 52083.6115 -109340.9833 299.3252 -161424.5949 -108983.6774 299.5226 39.5742 71.2728 761282.5470 6.7054 6.8974 PRESSURE: 4222800 -226.752 -2.90157 -32.1063 -2.90224 200.154 70.9576 -32.1065 70.9573 -122.443 GPRESSURE: 4222800 -248.794 -51.4461 40.2755 -78.7185 189.57 99.6554 -72.8414 98.4349 4.09681 PRESSAVG: 4222800 -62.3964 -25.031 25.4774 -25.031 45.9436 -30.1739 25.4774 -30.1739 -13.4064 GPRESSAVG: 4222800 -64.1802 -25.3423 24.2321 -26.4567 46.5577 -27.7853 25.3963 -31.1628 -12.1649 TIMING: 4222800 CPU: 13403.4, 0.00315313/step Wall: 13403.4, 0.00315313/step, 0.680725 hours remaining, 239.324219 MB of memory in use. ENERGY: 4222800 4069.1676 20645.0970 14434.7235 249.1049 -203280.7327 2256.5463 0.0000 0.0000 52369.4265 -109256.6669 300.9678 -161626.0934 -108889.7731 299.9151 -49.6804 -18.3756 761931.7837 -9.9531 -9.9292 PRESSURE: 4223000 -172.301 -188.76 -24.4642 -188.759 -318.43 19.6408 -24.464 19.64 -387.529 GPRESSURE: 4223000 -240.487 -188.707 -24.481 -93.6818 -200.496 150.546 172.847 118.649 -362.308 PRESSAVG: 4223000 14.7488 -66.049 -36.3383 -66.049 -21.2512 36.4009 -36.3383 36.4009 14.6477 GPRESSAVG: 4223000 15.3552 -66.3163 -36.0196 -64.7068 -21.7722 33.4577 -35.2443 37.7011 13.7323 TIMING: 4223000 CPU: 13404, 0.00316388/step Wall: 13404, 0.00316388/step, 0.682871 hours remaining, 239.324219 MB of memory in use. ENERGY: 4223000 4051.5278 20647.8822 14389.3622 249.4432 -203123.6565 2344.5173 0.0000 0.0000 52329.3264 -109111.5973 300.7374 -161440.9237 -108763.4292 300.3244 -292.7535 -267.7638 761215.0517 2.7151 2.4384 PRESSURE: 4223200 123.135 -65.2015 -162.044 -65.2009 -304.495 -164.565 -162.044 -164.565 124.167 GPRESSURE: 4223200 179.258 -68.853 -214.351 -38.1892 -290.118 -126.09 -100.051 -99.0994 124.226 PRESSAVG: 4223200 53.1123 8.87909 41.641 8.87915 -57.1477 36.7369 41.641 36.7369 -8.71716 GPRESSAVG: 4223200 53.4094 8.94878 40.3216 8.6686 -57.6067 38.3215 40.5677 36.5078 -7.96033 TIMING: 4223200 CPU: 13404.6, 0.00314698/step Wall: 13404.6, 0.00314698/step, 0.679049 hours remaining, 239.324219 MB of memory in use. ENERGY: 4223200 4001.4061 20610.6233 14460.5582 227.4417 -203012.3285 2340.3320 0.0000 0.0000 52172.3874 -109199.5797 299.8354 -161371.9672 -108837.5891 299.9322 -19.0642 4.4554 761551.0473 -4.2508 -4.0525 PRESSURE: 4223400 18.6033 -14.8426 52.1015 -14.8422 50.1706 -172.87 52.1024 -172.87 -126.442 GPRESSURE: 4223400 94.2823 -76.1956 41.6817 74.0843 49.7105 -97.9124 6.57775 -276.974 -124.966 PRESSAVG: 4223400 45.6109 2.16756 24.2935 2.16753 -7.0986 18.4138 24.2935 18.4138 -13.1055 GPRESSAVG: 4223400 44.8178 3.61255 24.0671 2.19065 -6.66544 18.1134 24.7493 19.0783 -12.6025 TIMING: 4223400 CPU: 13405.3, 0.00313661/step Wall: 13405.3, 0.00313661/step, 0.676637 hours remaining, 239.324219 MB of memory in use. ENERGY: 4223400 4011.0350 20548.7195 14388.7403 257.4753 -203107.6838 2551.6970 0.0000 0.0000 52193.8478 -109156.1687 299.9588 -161350.0165 -108791.8088 300.2405 -19.2225 6.3421 762141.5340 8.4690 8.5166 PRESSURE: 4223600 40.1362 141.359 -136.4 141.359 57.2747 39.7706 -136.4 39.7716 212.835 GPRESSURE: 4223600 105.403 119.336 -189.559 142.503 121.838 -25.4526 -143.817 114.707 172.199 PRESSAVG: 4223600 21.5819 34.0866 27.6931 34.0865 -41.7002 32.5209 27.6931 32.5209 -4.18214 GPRESSAVG: 4223600 21.8075 31.8989 28.4611 33.877 -40.9382 31.6087 28.2803 32.5839 -4.97171 TIMING: 4223600 CPU: 13405.9, 0.00315271/step Wall: 13405.9, 0.00315271/step, 0.679934 hours remaining, 239.324219 MB of memory in use. ENERGY: 4223600 3993.6318 20726.8316 14439.4644 254.3091 -203661.2894 2844.7689 0.0000 0.0000 52017.6503 -109384.6335 298.9462 -161402.2837 -109022.3659 300.0061 103.4151 133.1467 760973.8419 -8.1001 -8.0341 PRESSURE: 4223800 193.805 -95.015 140.788 -95.0154 243.389 -28.6293 140.789 -28.6302 -32.5211 GPRESSURE: 4223800 313.422 -1.84302 149.701 -49.7031 245.824 -8.72687 117.379 52.6772 -73.5576 PRESSAVG: 4223800 42.9173 -9.46144 -6.56764 -9.46143 9.60311 11.9499 -6.56765 11.9499 3.37308 GPRESSAVG: 4223800 43.7368 -7.41265 -3.73945 -11.2343 8.66437 12.8157 -6.55188 10.2266 3.97473 TIMING: 4223800 CPU: 13406.5, 0.00316403/step Wall: 13406.5, 0.00316403/step, 0.682201 hours remaining, 239.324219 MB of memory in use. ENERGY: 4223800 4083.5780 20482.6567 14441.5160 251.4287 -203902.0037 2969.9383 0.0000 0.0000 52336.0205 -109336.8656 300.7758 -161672.8861 -108973.0858 299.9064 134.8909 161.8961 761179.8090 18.6312 18.7920 PRESSURE: 4224000 -60.7893 96.6091 -67.25 96.6105 -151.402 -294.257 -67.2495 -294.258 -451.309 GPRESSURE: 4224000 -15.9843 133.284 -1.70523 53.578 -133.251 -372.43 -112.257 -251.583 -410.586 PRESSAVG: 4224000 -8.45332 -29.6227 19.7176 -29.6226 -50.6069 8.92405 19.7177 8.92401 -1.79945 GPRESSAVG: 4224000 -8.17632 -29.5852 17.7759 -28.5574 -50.1185 8.53189 19.2119 12.0021 -2.02387 TIMING: 4224000 CPU: 13407.1, 0.00313706/step Wall: 13407.1, 0.00313706/step, 0.676211 hours remaining, 239.324219 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: 4224000 4104.9327 20467.8891 14426.2272 258.4649 -203589.9524 2795.1256 0.0000 0.0000 52103.6210 -109433.6918 299.4402 -161537.3128 -109066.2423 299.7451 -221.1665 -186.6072 762320.6449 -20.2866 -20.1062 PRESSURE: 4224200 -307.187 -163.353 -128.961 -163.353 -249.15 168.736 -128.96 168.737 -187.587 GPRESSURE: 4224200 -266.885 -63.5431 -47.5344 -44.0726 -186.839 159.269 -12.1932 146.951 -188.038 PRESSAVG: 4224200 4.59822 -29.8156 -3.10527 -29.8156 -35.0001 70.7362 -3.10523 70.7363 7.67248 GPRESSAVG: 4224200 3.2303 -30.9513 -3.14355 -29.1549 -33.3118 70.1427 -1.91982 69.0995 7.23167 TIMING: 4224200 CPU: 13407.8, 0.00317644/step Wall: 13407.8, 0.00317644/step, 0.684523 hours remaining, 239.324219 MB of memory in use. ENERGY: 4224200 3924.2440 20430.0811 14463.8282 228.4200 -202883.7491 2257.4791 0.0000 0.0000 52033.1071 -109546.5895 299.0350 -161579.6966 -109174.0974 298.9377 -247.9747 -213.9203 762158.0426 -7.5765 -7.6166 LDB: ============= START OF LOAD BALANCING ============== 13420.2 LDB: ============== END OF LOAD BALANCING =============== 13420.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13420.2 LDB: ============= START OF LOAD BALANCING ============== 13420.6 LDB: Largest compute 7056 load 0.036971 is 18.9% of average load 0.195286 LDB: Average compute 0.004398 is 2.3% of average load 0.195286 LDB: TIME 13420.6 LOAD: AVG 0.195286 MAX 0.213017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 13420.6 LOAD: AVG 0.195286 MAX 0.213017 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: TIME 13420.6 LOAD: AVG 0.195286 MAX 0.213017 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.348 MB LDB: ============== END OF LOAD BALANCING =============== 13420.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13420.6 PRESSURE: 4224400 -141.858 42.1235 264.041 42.1235 -47.2337 -288.577 264.041 -288.577 -201.212 GPRESSURE: 4224400 -66.9051 57.5907 303.384 1.0536 -18.5943 -303.236 238.169 -169.091 -205.808 PRESSAVG: 4224400 13.0863 -10.2258 45.896 -10.2257 13.4028 30.0683 45.896 30.0682 12.1724 GPRESSAVG: 4224400 13.0662 -11.5303 46.8317 -9.94427 13.2016 30.1038 42.3137 30.6893 12.4233 TIMING: 4224400 CPU: 13408.4, 0.00323843/step Wall: 13408.4, 0.00323843/step, 0.697703 hours remaining, 240.347656 MB of memory in use. ENERGY: 4224400 3910.4577 20607.3980 14382.2341 229.4370 -203136.2244 2591.1489 0.0000 0.0000 52040.2243 -109375.3244 299.0759 -161415.5487 -109015.5205 298.8927 -130.1013 -97.1026 761950.6392 12.8871 12.8970 PRESSURE: 4224600 -96.2039 -155.884 176.084 -155.884 10.3701 98.0184 176.083 98.0191 -108.844 GPRESSURE: 4224600 -118.301 -261.95 224.342 -143.218 31.5347 -14.939 146.481 119.706 -47.4004 PRESSAVG: 4224600 88.5676 0.291118 25.1382 0.291107 -85.7909 -14.549 25.1383 -14.549 0.33254 GPRESSAVG: 4224600 90.6177 0.997798 24.9537 0.355318 -87.9546 -16.1268 28.8885 -18.2158 0.00380253 TIMING: 4224600 CPU: 13409.1, 0.00312811/step Wall: 13409.1, 0.00312811/step, 0.67376 hours remaining, 240.550781 MB of memory in use. ENERGY: 4224600 4030.8633 20467.4651 14478.3587 252.7137 -203171.3408 2666.3317 0.0000 0.0000 51979.7478 -109295.8606 298.7283 -161275.6083 -108937.7299 299.5581 -64.8927 -44.7222 762787.2680 1.0364 0.8890 PRESSURE: 4224800 -192.783 109.269 173.914 109.269 18.1813 -166.619 173.914 -166.62 -226.501 GPRESSURE: 4224800 -201.417 153.342 106.803 36.9031 77.0767 -168.44 217.437 -198.824 -199.129 PRESSAVG: 4224800 17.6509 16.0539 37.5963 16.0539 -12.7513 -10.8333 37.5964 -10.8333 6.11547 GPRESSAVG: 4224800 17.2821 16.8192 35.7029 15.6641 -11.388 -7.59142 36.6497 -8.72587 5.5602 TIMING: 4224800 CPU: 13409.7, 0.0031431/step Wall: 13409.7, 0.0031431/step, 0.676815 hours remaining, 240.550781 MB of memory in use. ENERGY: 4224800 3984.3703 20558.6555 14478.9047 225.5610 -202954.4265 2465.7282 0.0000 0.0000 52028.5552 -109212.6516 299.0088 -161241.2068 -108856.0220 299.8084 -133.7009 -107.8229 762761.3097 3.6717 3.8181 PRESSURE: 4225000 -136.153 -30.1901 -11.7303 -30.191 205.865 6.69381 -11.7301 6.69397 199.267 GPRESSURE: 4225000 -107.971 -76.4012 -52.7929 -22.3445 264.654 40.02 -17.1492 -21.0689 210.745 PRESSAVG: 4225000 -8.36009 -20.5099 8.74123 -20.5099 20.1687 -2.26558 8.74123 -2.26552 -21.0097 GPRESSAVG: 4225000 -9.59914 -20.6392 9.36209 -20.8075 20.6481 -2.5022 9.61579 -1.80293 -20.3058 TIMING: 4225000 CPU: 13410.3, 0.00314326/step Wall: 13410.3, 0.00314326/step, 0.676673 hours remaining, 240.550781 MB of memory in use. ENERGY: 4225000 3976.8012 20494.0784 14481.8930 250.6215 -203092.1600 2567.0931 0.0000 0.0000 52060.8575 -109260.8153 299.1945 -161321.6728 -108895.7928 299.7067 89.6598 122.4761 762505.6923 -3.0670 -3.0856 PRESSURE: 4225200 354.922 -141.17 209.103 -141.171 534.504 288.321 209.101 288.321 302.813 GPRESSURE: 4225200 393.698 -74.805 169.159 -182.72 537.561 259.038 148.422 305.39 338.877 PRESSAVG: 4225200 29.4889 -30.2404 11.5881 -30.2403 -57.8868 -2.72603 11.5881 -2.72606 -22.2853 GPRESSAVG: 4225200 29.6001 -30.5731 12.4329 -30.5807 -57.4949 -5.68531 10.7356 -1.17144 -22.1102 TIMING: 4225200 CPU: 13410.9, 0.00315371/step Wall: 13410.9, 0.00315371/step, 0.678748 hours remaining, 240.550781 MB of memory in use. ENERGY: 4225200 4055.8127 20454.5390 14434.6196 245.5179 -203207.1329 2811.0307 0.0000 0.0000 52187.5975 -109018.0154 299.9228 -161205.6129 -108659.9716 299.6558 397.4128 423.3788 762204.8767 -16.8944 -16.6683 PRESSURE: 4225400 -334.434 -225.75 51.7822 -225.751 -293.995 -47.5034 51.7818 -47.5033 -21.0573 GPRESSURE: 4225400 -284.259 -179.881 90.1114 -91.7195 -307.903 -6.16815 127.431 -34.792 -3.09069 PRESSAVG: 4225400 -18.3601 -26.8879 -21.0335 -26.8878 7.07624 -30.3791 -21.0335 -30.3792 17.8642 GPRESSAVG: 4225400 -16.4929 -25.686 -20.3662 -28.1934 5.8686 -28.823 -20.52 -32.4507 17.6645 TIMING: 4225400 CPU: 13411.6, 0.00312689/step Wall: 13411.6, 0.00312689/step, 0.672802 hours remaining, 240.550781 MB of memory in use. ENERGY: 4225400 3993.4988 20730.4464 14417.6660 253.5263 -203020.3191 2179.9517 0.0000 0.0000 52186.3525 -109258.8775 299.9157 -161445.2299 -108894.5641 300.1359 -216.4953 -198.4175 763361.6804 2.1934 2.3467 PRESSURE: 4225600 63.4069 -73.8826 -160.032 -73.8821 299.27 -169.343 -160.031 -169.343 5.72122 GPRESSURE: 4225600 104.773 -63.946 -173.907 -55.9574 284.865 -94.541 -98.9821 -171.521 54.0308 PRESSAVG: 4225600 -5.19203 -77.7653 -25.8286 -77.7653 -6.69309 -54.1046 -25.8287 -54.1045 -3.01988 GPRESSAVG: 4225600 -5.66087 -80.6803 -26.8689 -77.3366 -6.11155 -54.0825 -24.7224 -53.9725 -2.66002 TIMING: 4225600 CPU: 13412.2, 0.00313025/step Wall: 13412.2, 0.00313025/step, 0.673352 hours remaining, 240.550781 MB of memory in use. ENERGY: 4225600 3974.0849 20564.8958 14344.0784 240.7304 -203576.5247 2720.7988 0.0000 0.0000 52387.9498 -109343.9866 301.0743 -161731.9364 -108971.1394 299.6849 122.7995 147.8897 761933.8617 -4.9683 -4.8108 PRESSURE: 4225800 -264.889 -37.1767 113.671 -37.1774 399.42 12.1287 113.67 12.1285 -150.699 GPRESSURE: 4225800 -203.202 -92.9751 18.2118 -54.6032 334.083 -23.1362 111.265 89.1479 -64.5509 PRESSAVG: 4225800 -37.4967 -15.2318 24.4473 -15.2319 -13.1205 2.50337 24.4473 2.50343 3.15832 GPRESSAVG: 4225800 -37.0307 -15.7695 25.4488 -12.8147 -14.2449 2.74342 22.597 2.71075 3.41859 TIMING: 4225800 CPU: 13412.8, 0.00313655/step Wall: 13412.8, 0.00313655/step, 0.674531 hours remaining, 240.550781 MB of memory in use. ENERGY: 4225800 4015.9045 20655.1013 14411.4192 260.0324 -203474.7402 2835.7079 0.0000 0.0000 51942.5732 -109354.0018 298.5147 -161296.5750 -108991.2767 299.3767 -5.3895 22.1099 761850.4841 -15.8196 -15.9523 PRESSURE: 4226000 272.88 191.896 -46.5305 191.896 -7.95768 38.6558 -46.5297 38.6558 -192.659 GPRESSURE: 4226000 315.259 197.553 -49.7254 79.3249 8.70831 51.6434 -17.387 78.1401 -179.233 PRESSAVG: 4226000 -5.66942 -3.94547 -14.1331 -3.94549 51.1263 -10.6061 -14.1331 -10.6061 -19.2739 GPRESSAVG: 4226000 -6.18724 -2.62216 -14.801 -6.13403 50.3437 -12.2544 -14.1199 -10.0838 -18.5052 TIMING: 4226000 CPU: 13413.5, 0.00313155/step Wall: 13413.5, 0.00313155/step, 0.673282 hours remaining, 240.550781 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: 4226000 4027.0650 20636.8628 14520.6583 233.3634 -203414.6094 2660.9818 0.0000 0.0000 51776.3966 -109559.2815 297.5597 -161335.6781 -109202.0041 298.8825 24.0878 48.2447 761316.2291 8.7277 8.5504 PRESSURE: 4226200 -424.305 0.598348 136.634 0.598119 16.5056 -208.24 136.634 -208.239 -81.9855 GPRESSURE: 4226200 -364.158 -115.219 119.212 4.8112 37.2621 -235.689 178.721 -158.91 -89.8088 PRESSAVG: 4226200 -21.6785 -7.36722 -7.60334 -7.36727 18.071 -29.0967 -7.60345 -29.0967 2.14597 GPRESSAVG: 4226200 -21.9312 -7.22709 -8.01081 -7.73328 19.161 -27.9234 -8.17609 -29.0476 0.61228 TIMING: 4226200 CPU: 13414.1, 0.00312625/step Wall: 13414.1, 0.00312625/step, 0.671971 hours remaining, 240.550781 MB of memory in use. ENERGY: 4226200 3937.4596 20406.9512 14512.6798 251.5401 -202949.8323 2224.4950 0.0000 0.0000 52147.5252 -109469.1814 299.6925 -161616.7066 -109103.5743 299.0962 -163.2617 -138.9016 764158.0724 -0.4872 -0.7193 PRESSURE: 4226400 -60.2062 179.554 -210.945 179.555 -261.935 153.439 -210.944 153.438 -117.858 GPRESSURE: 4226400 -48.2876 229.193 -93.9956 44.277 -236.681 104.023 -181.845 3.60876 -60.8062 PRESSAVG: 4226400 -10.1751 -25.9275 -53.1611 -25.9275 54.7442 -78.4636 -53.1612 -78.4636 3.57771 GPRESSAVG: 4226400 -9.41418 -27.237 -51.848 -24.2832 54.3101 -76.0556 -53.7512 -81.8149 3.63555 TIMING: 4226400 CPU: 13414.7, 0.00313762/step Wall: 13414.7, 0.00313762/step, 0.67424 hours remaining, 240.550781 MB of memory in use. ENERGY: 4226400 3995.2587 20465.9247 14455.0636 240.1224 -202873.7684 2303.5891 0.0000 0.0000 51902.7081 -109511.1018 298.2856 -161413.8099 -109148.6426 298.9701 -146.6664 -115.2581 763200.1117 16.0489 16.1772 PRESSURE: 4226600 -214.467 -25.6596 -115.173 -25.6589 11.2106 173.271 -115.172 173.27 86.0886 GPRESSURE: 4226600 -193.93 -3.48413 -105.22 56.9216 27.8768 192.408 -135.389 147.909 146.614 PRESSAVG: 4226600 -35.7081 -41.7011 24.935 -41.7011 -10.576 -51.3781 24.9351 -51.3781 -13.3491 GPRESSAVG: 4226600 -36.6479 -39.5448 24.0005 -43.3342 -10.5667 -53.6417 25.2725 -48.5395 -12.7328 TIMING: 4226600 CPU: 13415.3, 0.00312129/step Wall: 13415.3, 0.00312129/step, 0.670556 hours remaining, 240.550781 MB of memory in use. ENERGY: 4226600 3969.6620 20561.1155 14420.0107 244.6706 -203403.8602 2552.3345 0.0000 0.0000 52040.9380 -109615.1288 299.0800 -161656.0669 -109253.3968 299.0802 -39.0558 -6.4799 762064.8147 -19.8777 -19.9825 PRESSURE: 4226800 -310.467 70.8426 -334.496 70.843 -243.344 11.5662 -334.496 11.5657 -263.018 GPRESSURE: 4226800 -271.224 -10.2453 -331.96 -7.03112 -224.626 -6.92226 -292.305 -22.3797 -256.617 PRESSAVG: 4226800 -72.7228 -24.7298 -28.0832 -24.7298 40.7755 -23.9608 -28.0831 -23.9608 -4.37866 GPRESSAVG: 4226800 -72.7418 -27.2928 -27.8153 -23.0342 40.4405 -24.3136 -28.5006 -24.3841 -4.82246 TIMING: 4226800 CPU: 13416, 0.00311863/step Wall: 13416, 0.00311863/step, 0.669812 hours remaining, 240.550781 MB of memory in use. ENERGY: 4226800 3934.6814 20504.6273 14420.4761 257.2414 -203139.6295 2133.6110 0.0000 0.0000 52052.1139 -109836.8783 299.1442 -161888.9922 -109468.2696 299.0363 -272.2761 -250.8225 762995.6786 -12.1087 -12.3746 PRESSURE: 4227000 43.7803 61.6568 -29.4051 61.6556 -243.887 377.475 -29.4056 377.475 94.1362 GPRESSURE: 4227000 32.2557 153.27 -95.5046 9.18398 -157.307 385.662 42.2591 298.158 89.8499 PRESSAVG: 4227000 -16.7129 -8.34664 13.1055 -8.34673 26.9275 103.169 13.1055 103.169 8.50144 GPRESSAVG: 4227000 -16.7124 -7.96978 13.2997 -9.52483 27.7359 103.797 14.1785 100.191 8.0454 TIMING: 4227000 CPU: 13416.6, 0.00310052/step Wall: 13416.6, 0.00310052/step, 0.665751 hours remaining, 240.550781 MB of memory in use. ENERGY: 4227000 3912.3093 20399.9992 14541.2018 257.9027 -203419.4804 2385.8318 0.0000 0.0000 51924.4670 -109997.7687 298.4106 -161922.2357 -109633.4652 298.2742 -35.3237 -11.7337 762927.4790 6.2387 6.3563 PRESSURE: 4227200 -62.5726 -4.84782 250.23 -4.8485 -196.369 -40.7228 250.23 -40.7231 217.492 GPRESSURE: 4227200 -57.6974 -143.049 286.804 118.803 -111.778 0.186064 150.378 71.604 217.284 PRESSAVG: 4227200 80.1099 -1.44195 6.17681 -1.44186 -79.9118 26.1578 6.17681 26.1578 -0.788826 GPRESSAVG: 4227200 79.2432 -2.65359 5.71993 -0.640402 -79.6237 27.8737 5.91063 28.6794 -1.15881 TIMING: 4227200 CPU: 13417.2, 0.00311745/step Wall: 13417.2, 0.00311745/step, 0.669212 hours remaining, 240.550781 MB of memory in use. ENERGY: 4227200 3995.9672 20472.0733 14535.0065 259.3517 -203616.5791 2582.5732 0.0000 0.0000 51849.7459 -109921.8614 297.9812 -161771.6072 -109566.5158 298.3703 -13.8163 15.9363 762419.8790 -0.1969 -0.5131 PRESSURE: 4227400 -53.4578 38.0523 -118.73 38.0522 83.617 -127.595 -118.729 -127.595 -37.1356 GPRESSURE: 4227400 24.9016 44.2001 -108.698 -84.4239 16.1789 -130.946 -99.4485 -102.879 42.6852 PRESSAVG: 4227400 3.19743 -24.7428 -29.317 -24.7427 -32.2697 2.57205 -29.3171 2.57205 -22.5232 GPRESSAVG: 4227400 4.47605 -22.5794 -29.3098 -26.3131 -32.2067 1.249 -28.2488 3.15432 -22.9971 TIMING: 4227400 CPU: 13417.8, 0.00311785/step Wall: 13417.8, 0.00311785/step, 0.669126 hours remaining, 240.550781 MB of memory in use. ENERGY: 4227400 3988.2253 20433.2433 14472.1493 265.4426 -203837.6743 2959.0106 0.0000 0.0000 51885.5208 -109834.0824 298.1868 -161719.6033 -109470.5538 298.6759 -2.3254 27.9219 761441.7219 -17.1985 -16.9093 PRESSURE: 4227600 203.827 -95.3318 236.321 -95.3313 -690.829 -421.992 236.32 -421.992 297.685 GPRESSURE: 4227600 121.844 -170.59 185.038 -54.185 -495.154 -420.193 201.398 -291.578 286.071 PRESSAVG: 4227600 31.8011 -42.1529 -5.48635 -42.1528 -60.6438 -48.46 -5.48638 -48.46 -32.9627 GPRESSAVG: 4227600 30.1513 -43.6913 -6.97098 -41.0948 -61.2174 -48.6912 -6.16107 -50.3794 -30.7602 TIMING: 4227600 CPU: 13418.4, 0.00312657/step Wall: 13418.4, 0.00312657/step, 0.670823 hours remaining, 240.550781 MB of memory in use. ENERGY: 4227600 4055.2749 20712.5022 14500.1658 252.2677 -203563.3906 2444.8837 0.0000 0.0000 51834.4523 -109763.8440 297.8933 -161598.2963 -109413.2307 298.5395 -63.1053 -29.0796 760576.9513 -20.6018 -20.6088 PRESSURE: 4227800 -293.428 -49.2577 -200.978 -49.257 -7.87251 -32.4579 -200.979 -32.4576 -63.4817 GPRESSURE: 4227800 -176.111 -187.486 -129.79 -32.8926 50.5473 -81.4992 -119.253 -158.928 -136.984 PRESSAVG: 4227800 19.4736 13.3152 -20.3025 13.3151 3.37598 0.124706 -20.3025 0.124681 0.576461 GPRESSAVG: 4227800 19.5313 15.6532 -18.0204 13.5938 4.77775 0.202092 -20.6321 0.86874 -0.928656 TIMING: 4227800 CPU: 13419.1, 0.00311526/step Wall: 13419.1, 0.00311526/step, 0.668223 hours remaining, 240.550781 MB of memory in use. ENERGY: 4227800 4038.5078 20436.0125 14495.7375 230.7013 -203524.0258 2504.3646 0.0000 0.0000 52124.8656 -109693.8365 299.5623 -161818.7021 -109332.0697 299.3293 -121.5942 -87.5157 761687.4895 7.8087 7.7935 PRESSURE: 4228000 259.872 -38.5256 -197.485 -38.5263 57.61 14.9119 -197.484 14.9122 -159.671 GPRESSURE: 4228000 333.216 47.7706 -204.085 -45.1886 56.24 8.97862 -106.104 -1.16583 -152.349 PRESSAVG: 4228000 -39.6778 6.76168 -18.6602 6.76162 58.0415 -28.6912 -18.6601 -28.6912 7.80858 GPRESSAVG: 4228000 -38.8728 5.78554 -19.1221 7.64878 56.4029 -29.1459 -19.6519 -29.8856 8.30665 TIMING: 4228000 CPU: 13419.7, 0.00311047/step Wall: 13419.7, 0.00311048/step, 0.667024 hours remaining, 240.550781 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: 4228000 3922.4691 20528.7088 14424.9578 253.6100 -203779.4099 2696.7151 0.0000 0.0000 52252.9957 -109699.9534 300.2987 -161952.9491 -109332.3156 298.9570 52.6038 79.0359 759309.9665 8.7241 8.6122 PRESSURE: 4228200 425.082 -107.268 -46.2957 -107.268 367.573 32.7539 -46.2956 32.7543 -29.2659 GPRESSURE: 4228200 358.641 -78.2397 -33.4757 -70.0766 390.837 -53.7462 -68.5916 -10.9751 82.2642 PRESSAVG: 4228200 49.3565 45.8535 -43.9087 45.8534 -55.8023 -33.5411 -43.9086 -33.5411 14.3807 GPRESSAVG: 4228200 49.6363 46.4903 -43.9779 45.3075 -55.2908 -32.4372 -42.2788 -33.2812 13.5142 TIMING: 4228200 CPU: 13420.3, 0.0031103/step Wall: 13420.3, 0.0031103/step, 0.666813 hours remaining, 240.550781 MB of memory in use. ENERGY: 4228200 3975.9876 20469.1252 14491.2892 253.5406 -203725.8902 2958.4878 0.0000 0.0000 52022.2165 -109555.2433 298.9724 -161577.4598 -109183.7856 299.5509 254.4633 277.2474 759728.2675 2.6450 2.6199 LDB: ============= START OF LOAD BALANCING ============== 13432.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13432.8 LDB: =============== DONE WITH MIGRATION ================ 13432.8 LDB: ============= START OF LOAD BALANCING ============== 13433.1 LDB: Largest compute 7056 load 0.037457 is 19.2% of average load 0.195468 LDB: Average compute 0.004405 is 2.3% of average load 0.195468 LDB: TIME 13433.1 LOAD: AVG 0.195468 MAX 0.214934 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 13433.1 LOAD: AVG 0.195468 MAX 0.214934 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 13433.1 LOAD: AVG 0.195468 MAX 0.214934 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 13433.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13433.1 PRESSURE: 4228400 34.9231 -163.264 50.4509 -163.264 -184.708 -34.7436 50.4517 -34.7439 -239.957 GPRESSURE: 4228400 6.96394 -190.187 110.322 -223.659 -79.695 25.1507 -24.1891 -72.8355 -223.542 PRESSAVG: 4228400 27.857 -24.2661 -41.2998 -24.266 -19.138 -33.033 -41.2997 -33.0329 3.81062 GPRESSAVG: 4228400 28.0766 -24.3086 -41.9231 -25.3286 -18.5876 -33.2179 -41.3807 -34.3558 3.31404 TIMING: 4228400 CPU: 13420.9, 0.0031896/step Wall: 13420.9, 0.0031896/step, 0.683638 hours remaining, 241.695312 MB of memory in use. ENERGY: 4228400 4054.2014 20534.8376 14447.5145 250.3613 -203291.9609 2352.2368 0.0000 0.0000 52234.4988 -109418.3105 300.1924 -161652.8093 -109054.4928 299.7280 -129.9139 -98.7576 758698.7145 4.1765 4.2677 PRESSURE: 4228600 97.6168 15.1353 -125.628 15.1368 82.4457 -295.186 -125.628 -295.187 -82.412 GPRESSURE: 4228600 191.882 10.5381 -146.975 -41.0479 78.2743 -273.48 -30.4411 -318.474 -81.4115 PRESSAVG: 4228600 28.4769 -13.3778 -14.0121 -13.3779 -4.74275 -30.2224 -14.012 -30.2224 5.66222 GPRESSAVG: 4228600 27.9274 -14.771 -11.9109 -12.5249 -5.24942 -30.4996 -15.1422 -27.6553 6.67823 TIMING: 4228600 CPU: 13421.6, 0.00313185/step Wall: 13421.6, 0.00313185/step, 0.671086 hours remaining, 241.898438 MB of memory in use. ENERGY: 4228600 4029.2487 20669.6383 14505.0382 236.6982 -203400.3705 2573.5091 0.0000 0.0000 52056.8483 -109329.3896 299.1714 -161386.2379 -108965.7752 299.9176 32.5502 62.9149 760001.0427 9.7988 9.7854 PRESSURE: 4228800 -29.7117 -19.3914 -161.976 -19.3911 -809.146 -210.336 -161.977 -210.337 -426.747 GPRESSURE: 4228800 -77.0899 0.610211 -50.8609 -8.19561 -674.715 -206.582 -0.627938 -123.575 -443.696 PRESSAVG: 4228800 19.1489 3.08397 -7.10729 3.08405 -13.8396 4.2427 -7.10722 4.24274 -6.87824 GPRESSAVG: 4228800 17.5147 3.73407 -9.04054 0.343783 -13.0509 2.51944 -2.88932 4.95483 -5.72963 TIMING: 4228800 CPU: 13422.2, 0.00314128/step Wall: 13422.2, 0.00314128/step, 0.672931 hours remaining, 241.898438 MB of memory in use. ENERGY: 4228800 4048.0044 20640.4564 14482.1168 244.7129 -203555.6838 2468.4819 0.0000 0.0000 52279.7520 -109392.1594 300.4525 -161671.9114 -109019.3644 299.6264 -421.8684 -398.5005 761444.8204 -0.5230 -0.4219 PRESSURE: 4229000 -172.656 124.182 -10.4006 124.181 -16.4212 65.85 -10.4007 65.8498 -56.9093 GPRESSURE: 4229000 -183.236 -111.784 -79.0926 168.548 -7.33399 105.193 82.6016 -60.0358 35.8596 PRESSAVG: 4229000 8.09063 5.04223 11.5225 5.04226 -23.0303 -39.8614 11.5225 -39.8614 2.39896 GPRESSAVG: 4229000 9.76565 6.87709 11.6871 5.68236 -23.7119 -37.3072 8.75259 -42.7554 0.942086 TIMING: 4229000 CPU: 13422.8, 0.00314692/step Wall: 13422.8, 0.00314692/step, 0.673965 hours remaining, 241.898438 MB of memory in use. ENERGY: 4229000 3976.1547 20469.5494 14431.0337 255.4695 -202979.8879 2448.8133 0.0000 0.0000 51944.1896 -109454.6777 298.5240 -161398.8673 -109087.6206 299.7368 -81.9954 -51.5701 761847.6854 -4.1803 -4.3347 PRESSURE: 4229200 -66.0722 320.21 -20.7288 320.211 -347.711 -50.0532 -20.7287 -50.0524 200.406 GPRESSURE: 4229200 -16.1368 336.182 -62.664 235.207 -261.976 -138.517 25.1727 47.1708 160.863 PRESSAVG: 4229200 50.8468 29.3689 55.5479 29.3689 -24.7818 -11.5986 55.5479 -11.5987 3.91008 GPRESSAVG: 4229200 50.3988 28.3361 57.4908 32.2579 -24.4554 -12.2513 53.3717 -10.5618 4.67792 TIMING: 4229200 CPU: 13423.5, 0.00312296/step Wall: 13423.5, 0.00312296/step, 0.668661 hours remaining, 241.898438 MB of memory in use. ENERGY: 4229200 3961.1489 20304.6075 14517.7154 271.3010 -202988.4979 2270.7486 0.0000 0.0000 52067.0807 -109595.8958 299.2302 -161662.9765 -109231.9071 298.8672 -71.1255 -39.0831 762978.2313 9.9917 10.2071 PRESSURE: 4229400 -517.832 -272.38 -123.787 -272.381 -398.28 -123.23 -123.788 -123.229 -159.028 GPRESSURE: 4229400 -410.17 -153.707 -168.343 -222.597 -381.49 -126.67 -175.483 -95.2883 -198.373 PRESSAVG: 4229400 -19.7551 -3.69744 25.4117 -3.69745 13.6238 29.92 25.4117 29.92 -4.57248 GPRESSAVG: 4229400 -19.4468 -4.46438 25.0095 -5.3399 14.0551 30.7075 25.666 28.913 -5.28143 TIMING: 4229400 CPU: 13424.1, 0.00311166/step Wall: 13424.1, 0.00311166/step, 0.666069 hours remaining, 241.898438 MB of memory in use. ENERGY: 4229400 3934.8995 20540.2506 14535.7394 230.0803 -203276.5954 2390.5764 0.0000 0.0000 52001.9230 -109643.1262 298.8558 -161645.0493 -109287.6309 299.0251 -358.3797 -330.0112 761953.1432 -3.5679 -3.5577 PRESSURE: 4229600 -58.8466 -190.894 -129.131 -190.895 142.001 -62.318 -129.132 -62.3173 -22.9157 GPRESSURE: 4229600 30.6915 -200.007 -182.517 -203.416 179.655 -70.1402 -2.01518 89.9179 -60.1482 PRESSAVG: 4229600 -17.0498 -33.8296 8.59045 -33.8296 8.45553 -19.0812 8.59042 -19.0812 -12.4296 GPRESSAVG: 4229600 -15.7781 -32.8062 8.07988 -35.5424 7.96039 -20.3114 9.12646 -16.282 -12.803 TIMING: 4229600 CPU: 13424.7, 0.00312134/step Wall: 13424.7, 0.00312134/step, 0.667966 hours remaining, 241.898438 MB of memory in use. ENERGY: 4229600 4000.5633 20483.6841 14495.4003 255.1060 -203280.8944 2410.8475 0.0000 0.0000 51973.8721 -109661.4212 298.6946 -161635.2933 -109299.9816 299.8019 20.0795 50.0661 760723.7153 -7.0080 -6.8736 PRESSURE: 4229800 -299.564 -170.872 -64.8309 -170.872 -327.299 -201.679 -64.8309 -201.679 -266.778 GPRESSURE: 4229800 -318.217 -128.865 -97.3612 -100.282 -255.926 -274.327 62.6601 -151.289 -247.468 PRESSAVG: 4229800 -9.2902 -65.3686 52.9427 -65.3687 -8.46475 -53.8179 52.9427 -53.8179 0.433948 GPRESSAVG: 4229800 -11.0082 -64.6174 51.983 -65.3111 -6.91255 -55.2148 55.2625 -53.5626 0.786797 TIMING: 4229800 CPU: 13425.3, 0.00313257/step Wall: 13425.3, 0.00313257/step, 0.670196 hours remaining, 241.898438 MB of memory in use. ENERGY: 4229800 4011.4374 20519.7579 14502.8107 248.7238 -203245.2230 2427.6381 0.0000 0.0000 51939.2857 -109595.5693 298.4958 -161534.8551 -109237.7957 299.0565 -297.8800 -273.8702 763173.9440 -5.7737 -5.7113 PRESSURE: 4230000 -60.5487 -114.137 -289.368 -114.137 -56.9447 -223.463 -289.368 -223.462 -251.567 GPRESSURE: 4230000 -79.7529 -124.894 -261.049 -110.862 -55.5529 -186.322 -199.526 -99.4365 -153.599 PRESSAVG: 4230000 -17.6964 -19.9089 31.9566 -19.9089 6.98815 -66.9368 31.9566 -66.9368 0.606459 GPRESSAVG: 4230000 -16.9635 -18.5819 33.4506 -19.3044 4.90127 -65.551 31.0471 -69.15 2.10878 TIMING: 4230000 CPU: 13426, 0.00315451/step Wall: 13426, 0.00315451/step, 0.674715 hours remaining, 241.898438 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: 4230000 3939.4652 20455.6470 14467.1406 242.4494 -203550.9368 2553.2156 0.0000 0.0000 51985.8466 -109907.1724 298.7634 -161893.0190 -109543.3520 298.7133 -123.0200 -96.3015 759905.4552 -3.3673 -3.3178 PRESSURE: 4230200 -328.854 -10.6495 67.8609 -10.6491 -168.112 -11.5606 67.8608 -11.5612 -189.714 GPRESSURE: 4230200 -168.715 -80.587 19.2725 27.0025 -214.357 19.9767 11.1899 -8.49985 -224.23 PRESSAVG: 4230200 -1.76266 -16.0532 12.4735 -16.0532 29.4656 -34.395 12.4734 -34.3949 -4.57393 GPRESSAVG: 4230200 -0.876788 -17.2825 11.5876 -15.0267 29.9076 -32.8872 12.598 -33.8373 -6.03463 TIMING: 4230200 CPU: 13426.6, 0.00312224/step Wall: 13426.6, 0.00312224/step, 0.667638 hours remaining, 241.898438 MB of memory in use. ENERGY: 4230200 3989.7222 20526.7324 14492.4507 259.4621 -203434.4074 2462.8391 0.0000 0.0000 51859.7839 -109843.4169 298.0389 -161703.2008 -109492.0319 298.2835 -228.8934 -202.4343 760873.5065 7.7097 7.6654 PRESSURE: 4230400 -556.792 -10.0038 18.8803 -10.0034 -103.905 175.294 18.8799 175.295 -153.886 GPRESSURE: 4230400 -475.548 40.7226 0.812779 75.184 -122.456 25.9872 -139.289 115.993 -118.195 PRESSAVG: 4230400 -37.9759 -31.6823 -9.475 -31.6822 54.7957 -27.7525 -9.47508 -27.7524 -12.0919 GPRESSAVG: 4230400 -37.3692 -31.266 -10.02 -31.5907 53.8862 -28.224 -8.85417 -27.7958 -11.6606 TIMING: 4230400 CPU: 13427.2, 0.0031273/step Wall: 13427.2, 0.0031273/step, 0.668546 hours remaining, 241.898438 MB of memory in use. ENERGY: 4230400 3963.8506 20433.3424 14477.9961 243.5270 -203164.9446 2443.0825 0.0000 0.0000 51893.2299 -109709.9161 298.2311 -161603.1460 -109353.0384 298.8089 -271.5276 -238.7329 762546.5237 1.5760 1.6188 PRESSURE: 4230600 -79.6493 -199.877 -100.571 -199.878 -302.75 112.133 -100.571 112.134 -158.144 GPRESSURE: 4230600 -48.3147 -144.855 -74.8265 -152.44 -278.973 21.6274 -104.136 -13.5281 -130.656 PRESSAVG: 4230600 -43.6171 -5.9178 -19.7724 -5.91776 38.8594 -5.17409 -19.7724 -5.17413 8.51381 GPRESSAVG: 4230600 -44.343 -6.57911 -19.7673 -5.01324 39.3498 -4.53875 -20.332 -5.04722 8.46635 TIMING: 4230600 CPU: 13427.8, 0.00312738/step Wall: 13427.8, 0.00312738/step, 0.66839 hours remaining, 241.898438 MB of memory in use. ENERGY: 4230600 3931.0670 20416.7380 14589.6138 250.5406 -203634.7918 2580.5635 0.0000 0.0000 52091.5064 -109774.7625 299.3706 -161866.2689 -109414.4892 298.6003 -180.1810 -152.6476 761302.3111 1.2520 1.1577 PRESSURE: 4230800 -159.51 -107.796 136.289 -107.796 91.2139 35.5917 136.289 35.5927 -575.284 GPRESSURE: 4230800 -141.023 -172.176 121.244 -178.661 116.834 -42.6814 99.1274 -33.8692 -549.487 PRESSAVG: 4230800 -32.5164 -9.52151 -25.3264 -9.52157 -14.2 33.3734 -25.3264 33.3732 -3.23923 GPRESSAVG: 4230800 -32.6676 -9.981 -25.5773 -9.36862 -13.4877 31.7497 -23.3404 32.5734 -3.79074 TIMING: 4230800 CPU: 13428.5, 0.00313947/step Wall: 13428.5, 0.00313947/step, 0.6708 hours remaining, 241.898438 MB of memory in use. ENERGY: 4230800 4018.6547 20361.3102 14440.7555 233.8425 -203497.6248 2554.0120 0.0000 0.0000 52112.4248 -109776.6251 299.4908 -161889.0499 -109410.8945 298.7612 -214.5267 -191.2256 760212.4300 -16.6519 -16.6487 PRESSURE: 4231000 31.6701 9.53714 -20.3182 9.53623 -1.84334 -96.5253 -20.3178 -96.5254 -115.946 GPRESSURE: 4231000 87.247 80.8995 -93.4716 27.6474 10.2301 -52.487 57.3591 -21.0643 -88.9764 PRESSAVG: 4231000 -1.00944 -30.1108 18.5816 -30.1108 20.4524 -50.7229 18.5816 -50.7229 22.6962 GPRESSAVG: 4231000 0.57399 -29.9985 18.9934 -31.6449 19.7763 -50.0442 17.007 -48.9126 22.535 TIMING: 4231000 CPU: 13429.1, 0.00313708/step Wall: 13429.1, 0.00313708/step, 0.670115 hours remaining, 241.898438 MB of memory in use. ENERGY: 4231000 3921.9321 20410.3547 14545.2575 245.4138 -203505.0289 2609.8985 0.0000 0.0000 52212.8523 -109559.3198 300.0680 -161772.1721 -109196.2765 299.0712 -28.7065 2.8336 759076.9208 14.0464 14.2951 PRESSURE: 4231200 3.43133 -103.434 -155.769 -103.434 -398.945 177.446 -155.768 177.446 -23.9953 GPRESSURE: 4231200 9.24273 -11.3437 -197.722 -175.927 -297.936 174.993 -82.3567 58.6063 -32.7667 PRESSAVG: 4231200 37.4119 -57.7874 -29.6553 -57.7874 -21.885 3.29093 -29.6553 3.29097 -0.0219098 GPRESSAVG: 4231200 36.1236 -58.0697 -29.5809 -55.9324 -21.6671 5.90075 -29.6217 1.63357 1.21864 TIMING: 4231200 CPU: 13429.7, 0.00312743/step Wall: 13429.7, 0.00312743/step, 0.66788 hours remaining, 241.898438 MB of memory in use. ENERGY: 4231200 4012.5576 20395.0853 14464.5005 221.2805 -202589.9189 1976.6463 0.0000 0.0000 52018.0030 -109501.8457 298.9482 -161519.8487 -109137.5164 299.5715 -139.8363 -107.1533 760900.4922 5.1683 5.2251 PRESSURE: 4231400 -135.906 -105.699 73.6978 -105.698 -15.9421 -120.343 73.6977 -120.344 -123.663 GPRESSURE: 4231400 -132.435 98.6255 253.143 -163.885 31.4085 -130.596 -51.7586 -185.218 -91.0427 PRESSAVG: 4231400 -10.1179 -55.4646 11.1981 -55.4646 4.80108 -6.45727 11.1981 -6.45719 -17.4235 GPRESSAVG: 4231400 -10.7391 -53.4497 11.6088 -56.8487 5.38848 -7.42109 12.2053 -6.39721 -17.865 TIMING: 4231400 CPU: 13430.3, 0.00313924/step Wall: 13430.3, 0.00313924/step, 0.670227 hours remaining, 241.898438 MB of memory in use. ENERGY: 4231400 3859.5322 20303.1158 14443.4006 279.1386 -202938.5081 2322.9050 0.0000 0.0000 52194.1992 -109536.2167 299.9608 -161730.4158 -109165.9254 298.8030 -91.8372 -64.0232 761236.5756 -7.5801 -7.7385 PRESSURE: 4231600 77.9697 -269.245 -74.601 -269.245 -507.958 -46.6902 -74.6006 -46.6905 15.0247 GPRESSURE: 4231600 51.1551 -226.77 -152.416 -278.053 -348.142 -28.0335 -62.8799 -34.9681 -18.5097 PRESSAVG: 4231600 49.5157 5.23005 -74.3219 5.22998 -9.37852 46.478 -74.3219 46.478 2.18932 GPRESSAVG: 4231600 49.0716 5.25001 -74.8761 5.8382 -9.28545 46.2898 -75.5798 48.4252 2.7445 TIMING: 4231600 CPU: 13431, 0.00314785/step Wall: 13431, 0.00314785/step, 0.671891 hours remaining, 241.898438 MB of memory in use. ENERGY: 4231600 4020.8202 20506.2458 14449.3768 250.2968 -203139.5628 2290.7841 0.0000 0.0000 52363.3872 -109258.6519 300.9331 -161622.0391 -108889.8766 299.7151 -138.3211 -105.1656 761301.6547 14.1088 14.1769 PRESSURE: 4231800 -144.674 -151.54 -278.075 -151.539 69.2353 91.3534 -278.075 91.3532 35.0332 GPRESSURE: 4231800 -60.0885 -134.901 -313.434 -107.112 103.752 84.9579 -226.792 96.0645 20.0242 PRESSAVG: 4231800 25.3084 17.6918 -45.3138 17.6918 -27.5781 21.5996 -45.3138 21.5997 9.35182 GPRESSAVG: 4231800 25.6536 15.8531 -44.9702 17.2966 -26.9443 19.6344 -44.5711 21.5514 8.86592 TIMING: 4231800 CPU: 13431.6, 0.0031438/step Wall: 13431.6, 0.0031438/step, 0.670852 hours remaining, 241.898438 MB of memory in use. ENERGY: 4231800 4051.5536 20532.5045 14509.8013 252.1363 -203516.8064 2775.4501 0.0000 0.0000 52233.5000 -109161.8607 300.1866 -161395.3607 -108805.1287 300.1124 -13.4685 21.2291 760672.1400 2.3607 2.5251 PRESSURE: 4232000 86.667 -8.01967 -8.18239 -8.01952 489.198 -35.1972 -8.18286 -35.1971 103.477 GPRESSURE: 4232000 112.722 0.357695 63.4975 -25.5218 497.726 -145.468 8.8109 -59.7019 138.547 PRESSAVG: 4232000 23.9672 -13.958 0.861912 -13.9579 -4.31955 24.588 0.861928 24.5879 16.5081 GPRESSAVG: 4232000 23.6048 -13.7605 1.64665 -13.4205 -4.31891 24.7837 1.61632 24.8876 17.0399 TIMING: 4232000 CPU: 13432.2, 0.00314481/step Wall: 13432.2, 0.00314481/step, 0.670892 hours remaining, 241.898438 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: 4232000 3942.4050 20547.0881 14522.4436 233.9516 -203894.1088 2898.9982 0.0000 0.0000 52221.8389 -109527.3834 300.1196 -161749.2222 -109164.7480 299.9880 226.4473 249.6648 760499.1577 12.0519 12.1086 PRESSURE: 4232200 149.736 27.1274 -102.794 27.1269 525.514 -12.2226 -102.794 -12.2217 212.011 GPRESSURE: 4232200 127.126 -6.18233 -205.506 34.7936 602.419 55.4604 9.71984 -11.0137 236.053 PRESSAVG: 4232200 17.7089 -23.9755 -51.8466 -23.9756 -50.7766 36.7432 -51.8466 36.7431 -9.51974 GPRESSAVG: 4232200 17.3227 -25.0579 -52.4036 -23.7661 -50.8444 37.7764 -52.3989 37.2955 -9.50148 TIMING: 4232200 CPU: 13432.9, 0.00314929/step Wall: 13432.9, 0.00314929/step, 0.671673 hours remaining, 241.898438 MB of memory in use. ENERGY: 4232200 3986.8890 20678.7029 14533.5929 249.5544 -203680.8389 2871.7820 0.0000 0.0000 51841.7394 -109518.5783 297.9352 -161360.3177 -109154.3719 299.2595 295.7540 321.8662 761253.6259 -14.1958 -14.3410 LDB: ============= START OF LOAD BALANCING ============== 13445.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13445.3 LDB: =============== DONE WITH MIGRATION ================ 13445.3 LDB: ============= START OF LOAD BALANCING ============== 13445.6 LDB: Largest compute 7056 load 0.037978 is 19.4% of average load 0.195439 LDB: Average compute 0.004409 is 2.3% of average load 0.195439 LDB: TIME 13445.6 LOAD: AVG 0.195439 MAX 0.214766 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.836 MB LDB: TIME 13445.6 LOAD: AVG 0.195439 MAX 0.214766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.836 MB LDB: TIME 13445.6 LOAD: AVG 0.195439 MAX 0.214766 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.836 MB LDB: ============== END OF LOAD BALANCING =============== 13445.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13445.6 PRESSURE: 4232400 -226.713 42.5909 -25.7623 42.5911 198.245 -124.342 -25.7625 -124.34 241.134 GPRESSURE: 4232400 -203.213 26.4336 -1.42699 -3.32884 231.007 -95.0369 -40.2622 -31.1121 305.665 PRESSAVG: 4232400 37.9293 -6.69277 -1.13586 -6.69269 11.8136 -48.3673 -1.13583 -48.3674 -1.65798 GPRESSAVG: 4232400 39.488 -6.41324 0.001752 -7.04038 10.9524 -47.5805 -3.28435 -48.3293 -1.74983 TIMING: 4232400 CPU: 13433.5, 0.00322048/step Wall: 13433.5, 0.00322048/step, 0.686678 hours remaining, 240.039062 MB of memory in use. ENERGY: 4232400 3965.6498 20507.0961 14516.8097 265.7585 -203458.3916 2547.2135 0.0000 0.0000 52072.5638 -109583.3003 299.2617 -161655.8640 -109226.6734 299.0004 70.8886 111.1532 760204.4420 16.0283 16.2302 PRESSURE: 4232600 215.069 -231.912 -172.963 -231.912 180.38 75.1269 -172.963 75.126 -336.429 GPRESSURE: 4232600 127.392 -212.467 -98.8337 -236.08 189.851 122.338 -263.366 -148.954 -175.08 PRESSAVG: 4232600 26.2236 -78.2897 30.3674 -78.2897 20.7659 -9.87183 30.3673 -9.87179 11.22 GPRESSAVG: 4232600 24.6064 -79.1086 30.0508 -76.5435 22.2891 -10.0234 30.861 -10.4969 10.9628 TIMING: 4232600 CPU: 13434.1, 0.0031652/step Wall: 13434.1, 0.00316521/step, 0.674716 hours remaining, 240.242188 MB of memory in use. ENERGY: 4232600 4041.3658 20481.6206 14535.9055 241.7453 -203622.5295 2703.0046 0.0000 0.0000 51946.1929 -109672.6947 298.5355 -161618.8876 -109313.7180 299.2056 19.6732 47.3874 760800.6188 19.4032 19.2861 PRESSURE: 4232800 257.458 -134.803 194.446 -134.802 -415.32 192.346 194.447 192.346 173.008 GPRESSURE: 4232800 242.449 -114.856 226.074 -86.9366 -313.524 146.762 215.903 118.546 152.645 PRESSAVG: 4232800 12.0909 -82.4254 91.57 -82.4255 -9.17888 3.37392 91.5701 3.37389 -1.13719 GPRESSAVG: 4232800 12.4694 -80.3581 91.8056 -83.7358 -8.35555 3.07576 93.374 2.08365 -0.908277 TIMING: 4232800 CPU: 13434.8, 0.00314949/step Wall: 13434.8, 0.0031495/step, 0.671192 hours remaining, 240.242188 MB of memory in use. ENERGY: 4232800 3974.9691 20519.3562 14425.7246 258.7245 -203306.7987 2512.5140 0.0000 0.0000 52053.5719 -109561.9382 299.1526 -161615.5101 -109199.2156 299.0743 5.0487 27.1898 762408.5535 0.5916 1.0685 PRESSURE: 4233000 226.25 -0.13086 277.853 -0.130913 209.314 -303.502 277.853 -303.501 460.347 GPRESSURE: 4233000 228.538 -102.745 235.772 -32.278 298.736 -307.854 319.171 -238.307 445.494 PRESSAVG: 4233000 -17.1447 -38.3966 44.7177 -38.3967 -28.5336 -4.20793 44.7177 -4.20797 0.883545 GPRESSAVG: 4233000 -16.7511 -39.6429 43.0241 -40.6103 -29.627 -3.562 45.6709 -2.69136 0.902814 TIMING: 4233000 CPU: 13435.4, 0.00314463/step Wall: 13435.4, 0.00314463/step, 0.66998 hours remaining, 240.242188 MB of memory in use. ENERGY: 4233000 3913.2755 20372.4816 14443.2033 222.0934 -203540.1663 2584.1328 0.0000 0.0000 52239.9067 -109765.0730 300.2235 -162004.9797 -109409.1058 298.9493 298.6372 324.2559 760391.9108 -14.9316 -15.1584 PRESSURE: 4233200 -122.95 1.83765 150.164 1.83719 -197.551 13.0747 150.164 13.0745 34.3647 GPRESSURE: 4233200 -132.325 112.532 154.712 130.487 -26.5613 28.3948 165.968 -80.8525 -18.2212 PRESSAVG: 4233200 -4.25845 -27.4533 -15.8075 -27.4534 44.5397 -4.65076 -15.8075 -4.65077 2.87845 GPRESSAVG: 4233200 -4.10803 -26.7175 -16.1714 -25.3345 44.2422 -4.53168 -16.9274 -5.2457 2.81942 TIMING: 4233200 CPU: 13436, 0.00316133/step Wall: 13436, 0.00316133/step, 0.673364 hours remaining, 240.242188 MB of memory in use. ENERGY: 4233200 3979.6520 20570.8310 14475.6329 263.7957 -203662.3616 2721.7666 0.0000 0.0000 51945.6289 -109705.0546 298.5322 -161650.6834 -109343.6964 299.0873 -95.3790 -59.0357 761723.2607 14.3866 14.3178 PRESSURE: 4233400 -156.752 -60.6337 -115.412 -60.6335 -197.133 -36.7508 -115.412 -36.7506 -249.067 GPRESSURE: 4233400 -132.296 -34.6209 -60.7575 -151.398 -108.816 -48.2878 -105.542 18.4756 -271.586 PRESSAVG: 4233400 -18.3172 -31.6914 16.8673 -31.6914 43.7697 -34.6707 16.8672 -34.6706 -2.43707 GPRESSAVG: 4233400 -17.0862 -30.8207 17.3116 -31.4868 44.1546 -34.5474 16.136 -33.4642 -4.49501 TIMING: 4233400 CPU: 13436.7, 0.00317041/step Wall: 13436.7, 0.00317041/step, 0.67512 hours remaining, 240.242188 MB of memory in use. ENERGY: 4233400 4058.1502 20479.2420 14465.2625 267.7741 -203405.7226 2437.8213 0.0000 0.0000 52031.7447 -109665.7278 299.0272 -161697.4725 -109307.2992 299.1103 -200.9839 -170.8992 760097.5825 7.6718 7.5245 PRESSURE: 4233600 -317.029 93.6318 190.105 93.6319 58.2688 152.79 190.105 152.791 -10.2181 GPRESSURE: 4233600 -283.476 98.3682 178.773 -4.30524 54.134 181.754 170.736 144.946 32.2076 PRESSAVG: 4233600 2.01086 -34.0589 31.5656 -34.0589 -9.66956 -18.4072 31.5656 -18.4072 12.1419 GPRESSAVG: 4233600 0.295321 -37.7534 32.4453 -33.6421 -9.84261 -18.7404 29.7293 -19.4171 14.0259 TIMING: 4233600 CPU: 13437.3, 0.00316473/step Wall: 13437.3, 0.00316473/step, 0.673737 hours remaining, 240.242188 MB of memory in use. ENERGY: 4233600 4004.9499 20502.9741 14494.8923 248.0050 -203294.1849 2296.1508 0.0000 0.0000 51852.3314 -109894.8813 297.9961 -161747.2127 -109532.4453 299.0038 -89.6594 -65.7116 761673.9899 1.4944 1.4929 PRESSURE: 4233800 37.7458 -248.695 235.578 -248.694 -72.253 167.984 235.579 167.984 49.3603 GPRESSURE: 4233800 117.237 -115.284 174.518 -266.058 -27.0815 148.232 143.51 140.257 4.35143 PRESSAVG: 4233800 -35.7533 -29.5095 -24.8246 -29.5095 37.7079 47.9684 -24.8246 47.9684 25.99 GPRESSAVG: 4233800 -34.0878 -26.224 -26.0438 -30.0586 36.8863 48.9755 -22.4748 47.8802 25.1845 TIMING: 4233800 CPU: 13437.9, 0.00314624/step Wall: 13437.9, 0.00314624/step, 0.669625 hours remaining, 240.242188 MB of memory in use. ENERGY: 4233800 3983.7695 20467.8254 14498.2824 248.1520 -203601.1928 2477.5063 0.0000 0.0000 52187.8047 -109737.8525 299.9240 -161925.6573 -109374.3493 298.7405 4.9510 31.5023 758927.2708 9.3149 9.3277 PRESSURE: 4234000 25.7763 60.2424 -73.4447 60.2435 114.817 91.9433 -73.4449 91.9442 -560.079 GPRESSURE: 4234000 7.50624 -73.4492 -51.239 -95.6232 200.336 44.7068 -0.730328 -50.1337 -548.015 PRESSAVG: 4234000 -8.45513 -27.6931 -53.0051 -27.6931 29.3293 -13.1539 -53.0051 -13.1539 31.1806 GPRESSAVG: 4234000 -11.021 -29.4801 -52.7542 -29.5662 31.0129 -14.1606 -52.2045 -14.2986 32.3844 TIMING: 4234000 CPU: 13438.6, 0.00314228/step Wall: 13438.6, 0.00314228/step, 0.668608 hours remaining, 240.242188 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: 4234000 4000.1054 20423.7616 14460.6912 264.4700 -203495.7237 2452.8440 0.0000 0.0000 52220.2350 -109673.6166 300.1104 -161893.8517 -109300.4778 298.8002 -139.8285 -113.3908 758111.8089 17.3516 17.4588 PRESSURE: 4234200 33.7735 80.3543 -367.684 80.3548 -205.148 12.1024 -367.683 12.1011 -490.099 GPRESSURE: 4234200 -41.9551 81.1039 -318.056 16.8264 -52.4953 -56.2239 -268.873 -28.6823 -480.29 PRESSAVG: 4234200 -10.6991 -24.0484 -10.3354 -24.0484 42.281 -1.89528 -10.3353 -1.89537 -17.529 GPRESSAVG: 4234200 -10.479 -25.7124 -8.41003 -23.2764 41.1652 -3.67928 -12.6457 1.219 -16.4922 TIMING: 4234200 CPU: 13439.2, 0.00314352/step Wall: 13439.2, 0.00314352/step, 0.668697 hours remaining, 240.242188 MB of memory in use. ENERGY: 4234200 3982.6680 20627.9104 14508.5328 268.5550 -203322.9341 2445.6126 0.0000 0.0000 51708.8333 -109780.8219 297.1714 -161489.6552 -109426.7127 298.9337 -220.4911 -191.5803 758269.4334 4.6843 4.7313 PRESSURE: 4234400 -558.987 13.0319 86.7315 13.0321 87.4479 -146.128 86.7304 -146.128 -79.162 GPRESSURE: 4234400 -466.685 49.8322 25.8536 106.134 51.575 -124.145 136.832 -75.2917 -50.1225 PRESSAVG: 4234400 -58.3808 -45.5055 -9.59455 -45.5055 36.5896 10.11 -9.59453 10.11 -5.21746 GPRESSAVG: 4234400 -55.7405 -45.0808 -12.1679 -46.4739 35.7557 11.7486 -8.57805 8.41914 -6.34018 TIMING: 4234400 CPU: 13439.8, 0.0031494/step Wall: 13439.8, 0.0031494/step, 0.669773 hours remaining, 240.242188 MB of memory in use. ENERGY: 4234400 4010.4313 20567.4840 14458.6668 243.9476 -203664.8535 2402.0721 0.0000 0.0000 52117.1323 -109865.1194 299.5179 -161982.2517 -109499.5013 299.0834 -183.5670 -155.0774 759898.7533 -9.0029 -8.7750 PRESSURE: 4234600 -202.044 -34.2201 129.846 -34.2207 333.647 -184.426 129.846 -184.427 -41.8293 GPRESSURE: 4234600 -209.6 26.1029 141.057 2.60468 393.614 -92.9651 134.938 -229.445 -23.1597 PRESSAVG: 4234600 -5.19128 -21.4304 4.3132 -21.4304 -11.0826 9.93796 4.31322 9.93795 -31.3727 GPRESSAVG: 4234600 -6.86742 -19.6749 7.05582 -21.0317 -9.7001 10.2651 4.13577 10.122 -30.8117 TIMING: 4234600 CPU: 13440.4, 0.00314513/step Wall: 13440.4, 0.00314513/step, 0.66869 hours remaining, 240.242188 MB of memory in use. ENERGY: 4234600 3990.6772 20651.8594 14477.9659 269.9076 -203885.4065 2620.8386 0.0000 0.0000 51868.6010 -110005.5568 298.0896 -161874.1578 -109644.0611 298.9979 29.9247 53.6179 760224.4688 -15.8822 -15.7931 PRESSURE: 4234800 -305.233 -17.0671 -14.3016 -17.0676 -344.97 51.9949 -14.3009 51.9937 -195.624 GPRESSURE: 4234800 -270.561 11.5263 -76.0839 77.3198 -274.646 90.2987 0.28904 -11.6151 -235.401 PRESSAVG: 4234800 -20.2387 -57.3423 30.7258 -57.3423 -29.2738 32.4698 30.7257 32.4697 10.5466 GPRESSAVG: 4234800 -18.5568 -58.3584 29.5717 -54.7908 -29.797 32.6125 29.8726 31.352 9.4843 TIMING: 4234800 CPU: 13441.1, 0.00314397/step Wall: 13441.1, 0.00314397/step, 0.668268 hours remaining, 240.242188 MB of memory in use. ENERGY: 4234800 4008.9518 20514.5474 14567.5427 254.7644 -203743.8256 2524.4259 0.0000 0.0000 52075.3870 -109798.2063 299.2780 -161873.5934 -109439.9129 298.8422 -281.9422 -260.2026 760889.9599 -12.9886 -12.9565 PRESSURE: 4235000 -138.722 109.72 -97.6128 109.719 -9.5121 4.61591 -97.6132 4.61565 -27.8128 GPRESSURE: 4235000 -49.7621 30.6359 -142.177 -39.0521 8.54071 0.801801 -123.22 34.4329 -61.9415 PRESSAVG: 4235000 -23.6746 -46.4973 -6.42252 -46.4974 2.34496 10.9703 -6.42249 10.9703 -19.3194 GPRESSAVG: 4235000 -23.5405 -47.12 -4.8584 -49.0199 1.89021 10.4708 -5.62048 11.7204 -18.2329 TIMING: 4235000 CPU: 13441.7, 0.00315219/step Wall: 13441.7, 0.00315219/step, 0.669841 hours remaining, 240.242188 MB of memory in use. ENERGY: 4235000 3953.5042 20667.1653 14570.5525 262.8196 -203732.8385 2736.1387 0.0000 0.0000 51778.8477 -109763.8104 297.5737 -161542.6581 -109403.3917 299.1005 -58.6823 -34.3876 760975.6437 -13.5497 -13.2944 PRESSURE: 4235200 -42.9365 -48.3641 -137.545 -48.3639 584.938 98.2122 -137.545 98.2129 -142.592 GPRESSURE: 4235200 20.8359 33.5325 -67.5037 -54.0839 593.291 80.0778 -164.043 253.275 -143.489 PRESSAVG: 4235200 -17.2982 -36.9014 30.2087 -36.9013 -5.26729 32.9136 30.2087 32.9137 16.0537 GPRESSAVG: 4235200 -17.3958 -34.8106 28.6891 -38.339 -5.03284 33.8503 28.1353 33.3008 15.98 TIMING: 4235200 CPU: 13442.3, 0.00313262/step Wall: 13442.3, 0.00313262/step, 0.665509 hours remaining, 240.242188 MB of memory in use. ENERGY: 4235200 4006.5197 20624.6300 14467.5838 246.2351 -203950.1662 2851.5567 0.0000 0.0000 52111.9770 -109641.6640 299.4882 -161753.6410 -109281.9115 298.7250 133.1367 156.8793 760775.7207 -2.1706 -2.1496 PRESSURE: 4235400 -235.584 -71.0104 -139.893 -71.0104 -117.224 152.047 -139.894 152.047 -288.27 GPRESSURE: 4235400 -214.353 -55.8945 -46.3604 -154.685 -44.7063 139.5 -83.7255 201.264 -312.419 PRESSAVG: 4235400 -3.3777 -14.1253 27.664 -14.1252 1.63675 -59.1622 27.6641 -59.1622 20.1914 GPRESSAVG: 4235400 -3.69697 -15.3776 29.1114 -14.2527 2.0869 -56.9835 29.7822 -58.9201 20.1217 TIMING: 4235400 CPU: 13443, 0.00314536/step Wall: 13443, 0.00314536/step, 0.66804 hours remaining, 240.242188 MB of memory in use. ENERGY: 4235400 4057.2816 20559.6724 14540.8662 271.7150 -203824.7614 2646.7184 0.0000 0.0000 52095.4582 -109653.0495 299.3933 -161748.5077 -109292.1758 299.5054 -213.6928 -190.4928 759946.6772 6.1501 6.1705 PRESSURE: 4235600 192.668 7.67833 -5.26882 7.67846 -47.7373 -27.3239 -5.26876 -27.3241 -139.441 GPRESSURE: 4235600 207.234 89.5842 15.915 50.7655 -44.2607 -30.1445 131.401 -42.6153 -74.8198 PRESSAVG: 4235600 -14.6319 -73.7018 -8.02862 -73.7019 11.186 -50.9835 -8.02861 -50.9836 31.5127 GPRESSAVG: 4235600 -14.5626 -75.9249 -9.30938 -71.0403 12.2425 -52.2869 -5.71932 -52.7656 31.0164 TIMING: 4235600 CPU: 13443.6, 0.00314094/step Wall: 13443.6, 0.00314094/step, 0.666926 hours remaining, 240.242188 MB of memory in use. ENERGY: 4235600 4026.0997 20486.6565 14544.4874 248.4500 -203820.0376 2862.4605 0.0000 0.0000 51978.3105 -109673.5730 298.7201 -161651.8835 -109311.0309 299.2293 1.8298 29.3846 760952.7436 9.3556 9.5654 PRESSURE: 4235800 -12.8739 7.89338 -18.8532 7.89317 205.014 -231.637 -18.854 -231.637 -58.1614 GPRESSURE: 4235800 127.315 36.7524 -54.1639 65.873 182.562 -213.876 -46.9649 -199.349 -85.4143 PRESSAVG: 4235800 35.6275 -55.5725 -29.0652 -55.5725 -55.632 -28.8746 -29.0652 -28.8747 0.336147 GPRESSAVG: 4235800 34.9661 -54.1467 -30.3734 -55.2775 -55.6474 -30.3926 -32.0129 -25.8654 1.16521 TIMING: 4235800 CPU: 13444.2, 0.00315875/step Wall: 13444.2, 0.00315875/step, 0.670533 hours remaining, 240.242188 MB of memory in use. ENERGY: 4235800 4041.5723 20536.6058 14526.6506 239.2735 -203874.8818 2812.6205 0.0000 0.0000 52337.5097 -109380.6493 300.7844 -161718.1590 -109013.5373 299.3844 44.6594 74.8208 760804.4233 -6.5561 -6.5054 PRESSURE: 4236000 201.873 -138.59 19.0405 -138.59 16.6504 25.326 19.0415 25.3251 -42.6739 GPRESSURE: 4236000 93.9347 -144.348 98.3816 23.3221 79.3172 73.0702 8.28005 -21.8975 82.0766 PRESSAVG: 4236000 -5.59421 -92.6951 -41.6286 -92.6951 7.83181 -9.73794 -41.6285 -9.73802 4.30023 GPRESSAVG: 4236000 -4.92909 -90.233 -39.4573 -93.0854 8.05423 -9.04563 -40.6208 -11.6699 3.39379 TIMING: 4236000 CPU: 13444.9, 0.00316953/step Wall: 13444.9, 0.00316953/step, 0.672644 hours remaining, 240.242188 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: 4236000 3972.1844 20619.4025 14442.3160 246.0537 -203844.3821 2886.9512 0.0000 0.0000 52269.8564 -109407.6179 300.3956 -161677.4743 -109036.4220 299.8388 58.6166 85.1095 760809.6667 2.1793 2.1730 PRESSURE: 4236200 -159.635 -20.6178 122.199 -20.6176 11.2124 46.2208 122.199 46.2199 197.188 GPRESSURE: 4236200 -58.8826 -80.1839 79.1114 64.1084 25.0241 5.382 -114.076 -66.5552 152.528 PRESSAVG: 4236200 8.34986 -25.6435 -48.1105 -25.6433 -22.2428 48.8491 -48.1105 48.849 -1.27771 GPRESSAVG: 4236200 7.94871 -27.1318 -49.8744 -27.4449 -22.9638 48.2823 -47.256 47.1705 -0.153671 TIMING: 4236200 CPU: 13445.5, 0.00318056/step Wall: 13445.5, 0.00318056/step, 0.674809 hours remaining, 240.242188 MB of memory in use. ENERGY: 4236200 3929.6961 20592.5818 14518.1593 231.9235 -203475.7602 2564.0052 0.0000 0.0000 52134.3834 -109505.0109 299.6170 -161639.3943 -109143.1514 299.4529 16.2550 39.5566 762269.4789 -5.0569 -5.0563 LDB: ============= START OF LOAD BALANCING ============== 13457.9 LDB: ============== END OF LOAD BALANCING =============== 13457.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13457.9 LDB: ============= START OF LOAD BALANCING ============== 13458.3 LDB: Largest compute 7060 load 0.036524 is 18.7% of average load 0.195318 LDB: Average compute 0.004424 is 2.3% of average load 0.195318 LDB: TIME 13458.3 LOAD: AVG 0.195318 MAX 0.215407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 13458.3 LOAD: AVG 0.195318 MAX 0.215407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: TIME 13458.3 LOAD: AVG 0.195318 MAX 0.215407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.848 MB LDB: ============== END OF LOAD BALANCING =============== 13458.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13458.3 PRESSURE: 4236400 151.835 -10.251 44.4773 -10.2519 -299.879 -133.991 44.4764 -133.991 222.969 GPRESSURE: 4236400 202.371 47.3511 51.3107 -27.4462 -217.703 -114.066 -0.33095 -112.74 177.794 PRESSAVG: 4236400 -43.0342 10.5998 -14.3426 10.5997 12.4577 67.4884 -14.3427 67.4883 -19.6024 GPRESSAVG: 4236400 -42.1929 9.56381 -14.666 11.4775 12.0688 68.1744 -15.0145 70.9474 -19.8057 TIMING: 4236400 CPU: 13446.1, 0.00321831/step Wall: 13446.1, 0.00321831/step, 0.682638 hours remaining, 239.527344 MB of memory in use. ENERGY: 4236400 3993.1494 20507.0139 14468.2747 260.8646 -203506.6005 2508.4601 0.0000 0.0000 52249.4524 -109519.3854 300.2783 -161768.8378 -109155.3737 299.7201 24.9750 54.1539 761126.5172 -16.7263 -16.6432 PRESSURE: 4236600 355.121 93.6531 198.501 93.653 -240.479 -61.8197 198.501 -61.8199 104.566 GPRESSURE: 4236600 374.471 109.133 188.099 107.85 -95.8211 -121.123 272.555 32.5448 29.4749 PRESSAVG: 4236600 30.2054 25.3032 5.76379 25.3032 -40.6719 25.1842 5.76371 25.1841 22.5205 GPRESSAVG: 4236600 28.888 26.1533 6.43731 26.5169 -38.8258 25.5575 5.08928 23.8865 21.9624 TIMING: 4236600 CPU: 13446.8, 0.0031373/step Wall: 13446.8, 0.0031373/step, 0.665282 hours remaining, 239.527344 MB of memory in use. ENERGY: 4236600 3943.0551 20336.7506 14454.9739 252.8474 -203134.4404 2496.4986 0.0000 0.0000 52289.7759 -109360.5388 300.5101 -161650.3147 -108990.8486 299.9700 73.0694 102.7083 760324.0130 4.0180 4.0082 PRESSURE: 4236800 -119.785 245.154 -5.01258 245.153 -239.796 -46.0311 -5.01268 -46.0327 -57.3662 GPRESSURE: 4236800 -94.502 163.668 36.9695 114.976 -135.762 -92.926 44.031 -34.9997 -120.469 PRESSAVG: 4236800 69.0235 33.0955 49.5121 33.0955 -69.3208 13.3512 49.5121 13.3512 -5.41824 GPRESSAVG: 4236800 70.3796 32.7841 51.1085 30.947 -70.4396 12.6272 50.2402 12.6792 -5.37181 TIMING: 4236800 CPU: 13447.4, 0.0031494/step Wall: 13447.4, 0.0031494/step, 0.667673 hours remaining, 239.527344 MB of memory in use. ENERGY: 4236800 3949.2665 20580.3064 14550.2198 242.9737 -202983.3337 2252.1670 0.0000 0.0000 51876.1047 -109532.2955 298.1327 -161408.4002 -109171.5294 299.6018 -138.9822 -116.9109 761640.1195 -1.9052 -1.8106 PRESSURE: 4237000 360.723 57.2216 78.954 57.2214 -188.575 138.796 78.9548 138.796 -43.6291 GPRESSURE: 4237000 250.229 99.1528 123.061 0.547907 -80.6214 129.253 -75.5217 140.138 17.0895 PRESSAVG: 4237000 67.2253 -10.3968 36.0996 -10.3967 -46.6236 35.2355 36.0996 35.2355 -3.90987 GPRESSAVG: 4237000 67.3879 -9.64194 36.5768 -9.04036 -46.7556 35.8533 33.8954 33.2153 -3.6677 TIMING: 4237000 CPU: 13448, 0.0031407/step Wall: 13448, 0.0031407/step, 0.665653 hours remaining, 239.527344 MB of memory in use. ENERGY: 4237000 3948.4668 20422.2853 14477.5972 250.8066 -203087.9540 2376.6227 0.0000 0.0000 52130.0923 -109482.0833 299.5924 -161612.1755 -109125.4125 299.9189 42.8394 62.2325 760332.3141 5.5639 5.6549 PRESSURE: 4237200 -32.4003 12.4474 26.4244 12.4478 65.9377 20.0624 26.4245 20.0636 63.0549 GPRESSURE: 4237200 7.14234 146.06 50.2741 19.195 63.2751 109.048 60.6055 113.829 112.04 PRESSAVG: 4237200 73.5538 8.43827 40.9025 8.43831 -58.6046 32.6927 40.9025 32.6928 -1.98168 GPRESSAVG: 4237200 73.8793 10.847 39.7212 7.32761 -58.6771 32.5543 41.8152 34.9391 -1.99428 TIMING: 4237200 CPU: 13448.6, 0.00314284/step Wall: 13448.6, 0.00314284/step, 0.665934 hours remaining, 239.527344 MB of memory in use. ENERGY: 4237200 3940.7627 20405.4357 14489.7369 243.9487 -203400.4575 2542.7055 0.0000 0.0000 52057.5268 -109720.3411 299.1753 -161777.8679 -109361.9360 299.2640 32.1974 60.8192 760049.2686 4.3225 4.4026 PRESSURE: 4237400 158.483 287.195 -18.6787 287.195 4.06161 -199.945 -18.6789 -199.944 -120.897 GPRESSURE: 4237400 77.5663 187.157 17.9182 452.276 145.539 -254.593 -51.4892 -88.7672 -94.43 PRESSAVG: 4237400 -54.0053 14.903 -13.362 14.903 25.0084 59.294 -13.3621 59.294 10.5725 GPRESSAVG: 4237400 -54.934 13.9557 -12.3121 15.425 25.6792 58.5831 -13.6764 60.1204 10.9931 TIMING: 4237400 CPU: 13449.3, 0.0031475/step Wall: 13449.3, 0.0031475/step, 0.666744 hours remaining, 239.527344 MB of memory in use. ENERGY: 4237400 4009.2773 20375.7586 14503.0462 256.5414 -203102.1356 2446.1090 0.0000 0.0000 51825.8720 -109685.5311 297.8440 -161511.4030 -109314.6982 299.0753 13.8826 42.8917 761250.0022 -6.1415 -6.0873 PRESSURE: 4237600 -91.6444 311.622 144.137 311.622 29.5336 46.3794 144.138 46.3801 -109.394 GPRESSURE: 4237600 19.7448 257.74 73.9579 212.796 -11.4818 -37.3103 215.394 50.5909 -93.8982 PRESSAVG: 4237600 10.7504 0.464163 13.2689 0.464179 -8.51488 12.3201 13.2689 12.3202 -1.35805 GPRESSAVG: 4237600 10.7923 -0.716991 11.5947 -0.480257 -8.25226 12.4858 13.7738 11.4475 -1.73399 TIMING: 4237600 CPU: 13449.9, 0.00316174/step Wall: 13449.9, 0.00316174/step, 0.669587 hours remaining, 239.527344 MB of memory in use. ENERGY: 4237600 3888.8612 20479.6309 14489.5069 267.2295 -203224.8816 2506.9328 0.0000 0.0000 51916.0489 -109676.6713 298.3622 -161592.7202 -109319.8079 298.8558 -57.1683 -28.5451 760876.1734 0.2925 0.2687 PRESSURE: 4237800 -85.5458 -62.1501 26.4452 -62.1498 -119.926 111.068 26.4453 111.067 321.666 GPRESSURE: 4237800 -129.345 38.0198 -13.9011 -10.7098 -60.2471 143.421 53.1416 178.535 379.037 PRESSAVG: 4237800 -25.3157 -68.3301 -53.236 -68.3301 40.1295 8.76985 -53.2359 8.76988 -12.3149 GPRESSAVG: 4237800 -24.6486 -68.1871 -52.619 -66.2294 39.7852 8.38265 -54.0357 9.04932 -12.5648 TIMING: 4237800 CPU: 13450.5, 0.00317375/step Wall: 13450.5, 0.00317375/step, 0.671953 hours remaining, 239.527344 MB of memory in use. ENERGY: 4237800 4008.7897 20471.1222 14581.1658 216.6672 -203138.8815 2304.4717 0.0000 0.0000 51928.3117 -109628.3531 298.4327 -161556.6648 -109272.1683 298.7190 38.7312 63.1483 759633.4872 0.8330 0.8573 PRESSURE: 4238000 -138.65 3.79827 -159.843 3.79817 -74.6981 112.511 -159.844 112.511 170.689 GPRESSURE: 4238000 -87.3435 -60.4937 -125.946 9.37321 -90.4789 80.676 -85.1997 50.8223 210.394 PRESSAVG: 4238000 -15.1929 -37.071 -28.2757 -37.071 -11.0319 -1.98529 -28.2757 -1.98537 -18.397 GPRESSAVG: 4238000 -16.2024 -36.8681 -28.5664 -40.0917 -11.1176 -1.88812 -27.0329 -1.31272 -17.5411 TIMING: 4238000 CPU: 13451.2, 0.00316648/step Wall: 13451.2, 0.00316648/step, 0.670239 hours remaining, 239.527344 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: 4238000 4002.3934 20449.6239 14398.4951 254.4305 -203660.9770 2746.1069 0.0000 0.0000 51963.8419 -109846.0852 298.6369 -161809.9272 -109486.3969 298.8840 -14.2199 10.8571 760960.7361 -14.8739 -14.9537 PRESSURE: 4238200 -270.018 -88.8571 49.591 -88.8576 -66.399 81.5524 49.5921 81.5529 -136.825 GPRESSURE: 4238200 -248.412 -88.1134 69.1981 -90.2981 11.6796 59.8687 51.7952 -30.9237 -126.191 PRESSAVG: 4238200 10.8432 -15.061 8.75947 -15.0611 -1.61902 0.191866 8.7594 0.191899 20.0606 GPRESSAVG: 4238200 10.762 -13.2819 7.85666 -14.8806 -1.02991 0.242135 8.53844 -0.422507 19.713 TIMING: 4238200 CPU: 13451.8, 0.00313307/step Wall: 13451.8, 0.00313307/step, 0.662992 hours remaining, 239.527344 MB of memory in use. ENERGY: 4238200 3980.5973 20185.7642 14482.6032 239.0131 -203586.9430 2579.8455 0.0000 0.0000 52197.7059 -109921.4138 299.9809 -162119.1198 -109538.0668 298.2463 -157.7474 -120.9747 763187.8832 9.7616 9.8150 PRESSURE: 4238400 -169.984 -203.514 23.2336 -203.514 -18.88 62.6864 23.2338 62.687 163.086 GPRESSURE: 4238400 -39.7886 -161.732 -38.1013 -115.199 -72.0374 72.2794 132.105 128.676 167.87 PRESSAVG: 4238400 26.5628 -35.247 -0.438206 -35.247 13.3777 22.5873 -0.438205 22.5873 2.71492 GPRESSAVG: 4238400 26.6521 -37.55 0.0605749 -32.7931 12.7886 24.15 -0.942078 20.9807 3.53584 TIMING: 4238400 CPU: 13452.4, 0.00312985/step Wall: 13452.4, 0.00312985/step, 0.662138 hours remaining, 239.527344 MB of memory in use. ENERGY: 4238400 3943.4465 20423.0226 14477.4161 245.4815 -203630.0782 2645.3903 0.0000 0.0000 52071.3317 -109823.9894 299.2547 -161895.3212 -109462.5763 298.4864 -8.5925 18.6815 763547.1990 14.2184 14.3255 PRESSURE: 4238600 -38.4747 -62.7573 -212.143 -62.7565 -58.056 -21.8745 -212.143 -21.8748 -412.974 GPRESSURE: 4238600 64.9933 -89.2629 -249.729 -55.3731 -37.9819 -64.2372 -214.886 89.9261 -440.139 PRESSAVG: 4238600 -0.542255 -12.3186 5.11285 -12.3185 -6.44346 68.7144 5.11284 68.7143 -24.9582 GPRESSAVG: 4238600 0.405609 -10.9088 5.21392 -13.3659 -6.23725 68.3162 7.64757 70.914 -26.2618 TIMING: 4238600 CPU: 13453.1, 0.0031681/step Wall: 13453.1, 0.0031681/step, 0.670053 hours remaining, 239.527344 MB of memory in use. ENERGY: 4238600 4093.3568 20555.4230 14486.4098 251.1344 -203791.2972 2778.9459 0.0000 0.0000 51965.1553 -109660.8720 298.6445 -161626.0274 -109287.1211 298.7765 -169.8351 -137.7091 762016.6300 -10.6480 -10.6978 PRESSURE: 4238800 -7.81876 -16.2851 52.0965 -16.2845 117.881 55.6196 52.0965 55.6197 -117.693 GPRESSURE: 4238800 18.769 -62.1634 19.9699 -98.4362 160.232 41.4635 -7.41634 57.0761 -97.0407 PRESSAVG: 4238800 -27.9546 12.166 -10.5734 12.1661 -12.4069 -10.8239 -10.5735 -10.8239 0.678956 GPRESSAVG: 4238800 -27.2884 13.1717 -11.5868 10.4737 -11.6793 -10.9848 -11.9147 -10.8062 0.0432916 TIMING: 4238800 CPU: 13453.7, 0.00314539/step Wall: 13453.7, 0.00314539/step, 0.665074 hours remaining, 239.527344 MB of memory in use. ENERGY: 4238800 4017.6395 20451.2959 14554.0597 236.2211 -203930.7862 2742.7133 0.0000 0.0000 52053.3922 -109875.4645 299.1516 -161928.8567 -109509.6092 299.0178 -2.5434 27.3203 761055.3418 -13.2275 -12.9748 PRESSURE: 4239000 -230.629 96.8313 141.358 96.8306 -126.655 68.6532 141.358 68.6536 225.01 GPRESSURE: 4239000 -209.658 71.8231 163.89 -11.2515 -110.458 140.478 156.604 86.7634 266.23 PRESSAVG: 4239000 -16.328 -9.47374 35.8226 -9.47379 19.2706 45.5862 35.8226 45.5862 -8.78488 GPRESSAVG: 4239000 -17.7797 -11.4291 36.7569 -7.8226 18.6568 46.8493 37.0644 43.4076 -6.92461 TIMING: 4239000 CPU: 13454.3, 0.00318637/step Wall: 13454.3, 0.00318637/step, 0.673563 hours remaining, 239.527344 MB of memory in use. ENERGY: 4239000 3966.4477 20555.9083 14405.9796 249.6862 -203652.6549 2582.4410 0.0000 0.0000 52135.8919 -109756.3002 299.6257 -161892.1921 -109403.2440 298.7562 -44.0916 -17.9619 761819.2934 -1.9474 -2.0158 PRESSURE: 4239200 -24.1082 -86.9559 -284.766 -86.9566 -476.162 43.8463 -284.766 43.8457 -217.615 GPRESSURE: 4239200 106.154 -35.5162 -255.84 -119.375 -400.735 86.8004 -205.622 -103.786 -334.469 PRESSAVG: 4239200 -16.8957 -46.7046 -28.9692 -46.7046 -2.07694 29.9817 -28.9692 29.9815 -1.31185 GPRESSAVG: 4239200 -15.6697 -46.2364 -27.9055 -48.3571 -2.64447 28.8298 -31.1048 29.1267 -2.13836 TIMING: 4239200 CPU: 13455, 0.00318349/step Wall: 13455, 0.00318349/step, 0.672777 hours remaining, 239.527344 MB of memory in use. ENERGY: 4239200 3946.2053 20317.1678 14542.6876 254.4542 -203839.5556 2831.6619 0.0000 0.0000 52098.2444 -109849.1345 299.4093 -161947.3789 -109482.3403 298.5653 -239.2950 -209.6833 762672.8293 -6.7615 -6.8175 PRESSURE: 4239400 46.4925 -238.612 -194.417 -238.612 243.158 -174.272 -194.417 -174.272 52.4788 GPRESSURE: 4239400 116.15 -323.29 -205.511 -157.725 212.358 -110.819 -191.061 -17.6027 85.2205 PRESSAVG: 4239400 7.94158 -25.0489 -22.5272 -25.049 -1.1006 18.1536 -22.5272 18.1536 0.0471561 GPRESSAVG: 4239400 7.70243 -26.7104 -24.2074 -24.2922 -1.67221 17.3373 -21.5831 22.0767 0.598718 TIMING: 4239400 CPU: 13455.6, 0.003146/step Wall: 13455.6, 0.003146/step, 0.66468 hours remaining, 239.527344 MB of memory in use. ENERGY: 4239400 4061.3307 20480.6492 14500.8883 230.8972 -203735.0851 2645.5677 0.0000 0.0000 51891.4220 -109924.3300 298.2207 -161815.7520 -109561.6686 298.1733 114.0431 137.9095 760387.0262 2.2960 2.2096 PRESSURE: 4239600 320.001 362.003 -26.4163 362.003 -181.555 -137.404 -26.4164 -137.404 -251.5 GPRESSURE: 4239600 282.967 284.103 -106.766 231.976 -103.565 -28.8621 17.2279 -63.5445 -201.732 PRESSAVG: 4239600 32.9801 -14.9985 -34.3587 -14.9985 -20.083 9.50936 -34.3587 9.50943 9.03838 GPRESSAVG: 4239600 30.943 -13.1204 -33.6757 -14.5234 -18.3549 9.69322 -33.199 7.44226 8.99224 TIMING: 4239600 CPU: 13456.2, 0.00315296/step Wall: 13456.2, 0.00315296/step, 0.665976 hours remaining, 239.527344 MB of memory in use. ENERGY: 4239600 4020.4511 20500.9147 14504.4066 250.1640 -203493.0522 2620.7541 0.0000 0.0000 51845.2229 -109751.1386 297.9552 -161596.3616 -109403.2786 298.7484 -37.6848 -7.4433 759224.9321 7.3118 7.1934 PRESSURE: 4239800 -177.452 -150.885 -169.788 -150.885 -88.0828 143.395 -169.788 143.396 12.9995 GPRESSURE: 4239800 -175.87 -114.125 -214.27 -119.721 43.5894 122.382 -73.3236 13.6158 -28.0087 PRESSAVG: 4239800 63.4588 -24.4182 30.1758 -24.4181 -48.1475 43.2757 30.1758 43.2757 30.8057 GPRESSAVG: 4239800 64.036 -26.1145 29.0664 -23.4425 -48.9037 42.4111 31.025 42.9988 30.7813 TIMING: 4239800 CPU: 13456.9, 0.00316304/step Wall: 13456.9, 0.00316304/step, 0.667929 hours remaining, 239.527344 MB of memory in use. ENERGY: 4239800 3967.2689 20605.1182 14515.8963 249.3143 -203605.1810 2667.5360 0.0000 0.0000 51821.5803 -109778.4669 297.8193 -161600.0472 -109419.8822 299.0538 -84.1784 -53.4296 759548.8089 15.3724 15.3045 PRESSURE: 4240000 102.18 55.4586 149.145 55.4586 175.108 -62.6082 149.143 -62.6086 75.9815 GPRESSURE: 4240000 198.175 43.5572 108.476 -4.64865 193.285 -36.8233 174.693 -6.6579 42.8577 PRESSAVG: 4240000 -4.68184 -45.3599 28.7096 -45.3599 -8.30434 18.3497 28.7096 18.3497 4.45822 GPRESSAVG: 4240000 -4.79329 -45.5114 29.8811 -48.8081 -8.17138 19.9479 26.7756 17.3158 3.77191 TIMING: 4240000 CPU: 13457.5, 0.00315909/step Wall: 13457.5, 0.00315909/step, 0.666919 hours remaining, 239.527344 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: 4240000 3959.8411 20631.9214 14457.0254 225.1697 -203530.0973 2514.9570 0.0000 0.0000 52034.7513 -109706.4314 299.0444 -161741.1827 -109350.4515 298.8086 117.7564 144.7728 759282.9709 -2.8427 -3.0643 PRESSURE: 4240200 -216.337 167.805 -195.838 167.804 -197.362 -25.6657 -195.838 -25.6663 50.7314 GPRESSURE: 4240200 -89.9036 151.907 -262.886 191.789 -218.281 -6.80814 -169.516 8.05303 50.1995 PRESSAVG: 4240200 -11.3631 -38.6403 18.3555 -38.6402 11.6488 2.39089 18.3555 2.39085 -6.3914 GPRESSAVG: 4240200 -11.6927 -38.3711 18.9817 -36.3922 11.3761 1.92795 18.487 3.02678 -6.06773 TIMING: 4240200 CPU: 13458.1, 0.00313946/step Wall: 13458.1, 0.00313946/step, 0.662601 hours remaining, 239.527344 MB of memory in use. ENERGY: 4240200 4049.7609 20564.8873 14387.8610 257.5353 -203559.7047 2646.5647 0.0000 0.0000 51918.1411 -109734.9543 298.3743 -161653.0954 -109380.3274 299.2962 -120.9891 -85.9951 760665.7969 -2.0352 -2.1281 LDB: ============= START OF LOAD BALANCING ============== 13470.6 LDB: ============== END OF LOAD BALANCING =============== 13470.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.6 LDB: ============= START OF LOAD BALANCING ============== 13470.9 LDB: Largest compute 7031 load 0.034567 is 17.7% of average load 0.195409 LDB: Average compute 0.004407 is 2.3% of average load 0.195409 LDB: TIME 13470.9 LOAD: AVG 0.195409 MAX 0.213368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 13470.9 LOAD: AVG 0.195409 MAX 0.213368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 13470.9 LOAD: AVG 0.195409 MAX 0.213368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 13470.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.9 PRESSURE: 4240400 -275.774 39.9403 -227.808 39.9396 40.3476 32.5031 -227.809 32.5029 -302.396 GPRESSURE: 4240400 -298.092 135.37 -118.368 -3.27042 85.8626 89.8843 -265.824 18.5831 -259.921 PRESSAVG: 4240400 -14.4594 -37.6045 -10.7437 -37.6045 26.0998 28.8193 -10.7437 28.8193 8.0869 GPRESSAVG: 4240400 -13.5245 -36.5041 -11.6002 -36.6399 25.8463 26.3214 -9.6876 30.2937 7.27471 TIMING: 4240400 CPU: 13458.8, 0.00330498/step Wall: 13458.8, 0.00330498/step, 0.697351 hours remaining, 240.039062 MB of memory in use. ENERGY: 4240400 3991.1099 20576.3322 14477.3148 231.6961 -203279.9333 2384.0228 0.0000 0.0000 52124.8603 -109494.5972 299.5623 -161619.4575 -109139.4279 299.5067 -179.2744 -157.3834 760265.4465 6.5758 6.5322 PRESSURE: 4240600 62.5733 -2.80466 -222.905 -2.80533 91.6126 238.31 -222.905 238.309 -233.828 GPRESSURE: 4240600 133.674 -48.2928 -268.526 19.3267 109.741 224.21 -230.243 200.869 -269.301 PRESSAVG: 4240600 -33.3907 -23.652 -39.0023 -23.652 6.21752 49.5995 -39.0023 49.5995 6.08628 GPRESSAVG: 4240600 -33.5351 -22.8598 -38.0445 -25.3846 5.81803 52.6435 -39.836 49.9794 6.67825 TIMING: 4240600 CPU: 13459.4, 0.00315614/step Wall: 13459.4, 0.00315614/step, 0.665771 hours remaining, 240.039062 MB of memory in use. ENERGY: 4240600 3824.5084 20444.1598 14510.3463 235.9672 -203638.5827 2661.0448 0.0000 0.0000 52343.6266 -109618.9296 300.8195 -161962.5562 -109255.0332 299.7435 -26.5475 -8.6288 761022.6883 -7.0290 -7.0130 PRESSURE: 4240800 73.4939 -117.427 18.3354 -117.427 -202.216 90.054 18.3344 90.054 -129.196 GPRESSURE: 4240800 83.2956 -43.15 -4.98878 -163.717 -190.77 -1.84858 -15.6814 69.4299 -57.3138 PRESSAVG: 4240800 26.2353 -30.2883 14.6209 -30.2883 -17.031 71.9203 14.6208 71.9204 -1.42933 GPRESSAVG: 4240800 24.5547 -32.5014 15.6887 -28.679 -16.8789 70.0702 14.1723 71.5417 -0.748615 TIMING: 4240800 CPU: 13460, 0.00316427/step Wall: 13460, 0.00316427/step, 0.667309 hours remaining, 240.039062 MB of memory in use. ENERGY: 4240800 3993.9512 20599.5039 14473.7897 239.3463 -203464.2026 2524.7539 0.0000 0.0000 52211.2844 -109421.5732 300.0590 -161632.8576 -109053.3929 299.9499 -85.9729 -54.9294 760465.1854 2.5917 2.3091 PRESSURE: 4241000 254.705 -50.3526 -71.7762 -50.3532 -72.0767 314.968 -71.7759 314.968 226.913 GPRESSURE: 4241000 288.72 25.1801 10.9994 -69.5902 47.5096 229.089 -51.5656 249.005 181.886 PRESSAVG: 4241000 -23.2585 -17.2202 -17.303 -17.2202 2.07536 53.7262 -17.303 53.7262 19.9478 GPRESSAVG: 4241000 -21.6932 -15.6704 -18.4697 -18.7534 1.38707 55.3094 -18.3826 53.3708 19.0202 TIMING: 4241000 CPU: 13460.7, 0.00319924/step Wall: 13460.7, 0.00319924/step, 0.674506 hours remaining, 240.039062 MB of memory in use. ENERGY: 4241000 3963.9743 20575.9621 14479.0948 243.4496 -203626.7900 2722.5820 0.0000 0.0000 52269.3354 -109372.3918 300.3926 -161641.7272 -109006.8504 300.0752 136.5138 172.7053 760886.7286 -0.4118 -0.4286 PRESSURE: 4241200 -46.769 -230.91 85.7316 -230.91 -42.976 6.8701 85.7316 6.86972 170.633 GPRESSURE: 4241200 18.8052 -174.62 18.3278 -203.632 -106.037 47.1219 198.33 95.6264 252.789 PRESSAVG: 4241200 -21.3641 -17.9835 5.61221 -17.9836 30.3658 17.4841 5.61211 17.4842 -7.48396 GPRESSAVG: 4241200 -21.756 -18.3033 5.8839 -16.4892 30.6635 17.7824 8.33915 17.7521 -7.59331 TIMING: 4241200 CPU: 13461.3, 0.00316826/step Wall: 13461.3, 0.00316826/step, 0.667798 hours remaining, 240.039062 MB of memory in use. ENERGY: 4241200 3978.1998 20587.4269 14434.2242 259.2791 -203367.8430 2415.1852 0.0000 0.0000 52242.2449 -109451.2830 300.2369 -161693.5279 -109076.5740 300.1825 26.9627 55.1858 758175.6885 0.5059 0.4381 PRESSURE: 4241400 -148.778 144.942 -19.6699 144.942 -383.069 -12.3399 -19.6693 -12.3383 -135.975 GPRESSURE: 4241400 -174.353 85.202 96.2397 54.3549 -279.793 -63.0248 -11.4322 12.1687 -122.556 PRESSAVG: 4241400 -14.1626 -24.2397 40.1811 -24.2397 -4.10143 3.16897 40.181 3.16895 -2.89384 GPRESSAVG: 4241400 -14.7055 -23.6266 40.5987 -25.8067 -3.25084 2.63972 37.9161 3.58432 -3.75388 TIMING: 4241400 CPU: 13461.9, 0.00315484/step Wall: 13461.9, 0.00315484/step, 0.664794 hours remaining, 240.039062 MB of memory in use. ENERGY: 4241400 4011.6282 20634.1712 14470.9019 256.1306 -203537.9320 2348.1735 0.0000 0.0000 52129.5005 -109687.4260 299.5890 -161816.9265 -109324.7665 299.7419 -222.6073 -192.2342 758067.1292 -7.0526 -7.2368 PRESSURE: 4241600 258.394 -249.816 83.8514 -249.816 411.338 34.019 83.851 34.0195 1.25157 GPRESSURE: 4241600 202.875 -221.963 60.4151 -232.19 440.811 208.149 2.22601 -97.0515 109.203 PRESSAVG: 4241600 -32.0132 -14.506 18.0939 -14.506 40.5313 65.8989 18.0939 65.899 25.6293 GPRESSAVG: 4241600 -31.634 -14.9193 16.213 -13.5095 39.8865 65.7379 18.3887 64.9146 26.1611 TIMING: 4241600 CPU: 13462.6, 0.00315178/step Wall: 13462.6, 0.00315178/step, 0.663974 hours remaining, 240.039062 MB of memory in use. ENERGY: 4241600 3947.5049 20541.4102 14481.3812 248.6113 -203569.8828 2655.9826 0.0000 0.0000 52283.8272 -109411.1654 300.4759 -161694.9926 -109060.4470 300.0913 223.6615 250.9629 758734.2423 11.3825 11.4712 PRESSURE: 4241800 -73.9326 24.067 51.2705 24.0667 131.265 -244.18 51.2698 -244.179 271.793 GPRESSURE: 4241800 -47.9057 69.9409 -60.8026 62.7027 180.416 -189.591 103.528 -108.347 271.032 PRESSAVG: 4241800 -3.96586 1.55187 12.1972 1.55188 2.36277 -14.5267 12.1972 -14.5267 3.4982 GPRESSAVG: 4241800 -3.45362 0.511786 12.3908 2.84029 2.64582 -14.6786 12.9947 -12.6675 2.25636 TIMING: 4241800 CPU: 13463.2, 0.00314444/step Wall: 13463.2, 0.00314444/step, 0.662254 hours remaining, 240.039062 MB of memory in use. ENERGY: 4241800 4060.4161 20442.4740 14470.5520 250.0125 -203229.8496 2389.1708 0.0000 0.0000 52081.1807 -109536.0434 299.3113 -161617.2241 -109176.5672 299.7313 109.7085 134.5140 759914.1280 0.6317 0.4829 PRESSURE: 4242000 374.652 -27.5022 -37.1624 -27.5017 400.928 184.165 -37.1608 184.164 218.091 GPRESSURE: 4242000 337.9 7.55845 -67.8487 -82.3084 456.391 207.565 50.5135 91.5761 294.267 PRESSAVG: 4242000 7.04228 -4.11312 12.2369 -4.11307 29.6355 5.47429 12.2369 5.47435 23.5295 GPRESSAVG: 4242000 6.48166 -4.33297 12.5224 -5.47953 29.0657 5.46815 12.5764 4.12073 24.9282 TIMING: 4242000 CPU: 13463.8, 0.00316538/step Wall: 13463.8, 0.00316538/step, 0.666488 hours remaining, 240.039062 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: 4242000 3892.8370 20677.4234 14584.6476 262.0453 -203488.8847 2675.1326 0.0000 0.0000 52225.1019 -109171.6970 300.1384 -161396.7988 -108795.4122 299.9323 331.2239 362.8524 759451.3530 20.0691 20.1585 PRESSURE: 4242200 199.108 -171.38 125.803 -171.38 103.343 120.984 125.804 120.984 -107.098 GPRESSURE: 4242200 194.237 -166.124 126.652 -176.347 142.783 172.869 85.07 123.026 -49.5952 PRESSAVG: 4242200 24.1666 -35.4934 -32.5241 -35.4934 -38.2139 51.3596 -32.524 51.3596 -24.5038 GPRESSAVG: 4242200 23.488 -34.653 -32.3728 -33.4558 -36.9521 52.5066 -33.485 49.7734 -25.0959 TIMING: 4242200 CPU: 13464.5, 0.0031638/step Wall: 13464.5, 0.0031638/step, 0.66598 hours remaining, 240.039062 MB of memory in use. ENERGY: 4242200 3994.1209 20480.6879 14490.6392 252.3583 -203504.8373 2661.9891 0.0000 0.0000 52379.1452 -109245.8967 301.0237 -161625.0419 -108876.3113 300.4827 65.1176 95.8082 760043.8666 -12.8503 -12.8533 PRESSURE: 4242400 -51.9953 87.9706 -73.0895 87.9697 -313.666 73.8197 -73.0893 73.8189 13.6614 GPRESSURE: 4242400 -95.2432 107.838 -106.459 38.7993 -234.093 167.877 -102.627 24.6641 38.3571 PRESSAVG: 4242400 -0.630832 -42.4937 -38.1521 -42.4936 4.35778 20.0781 -38.1521 20.0782 -18.7776 GPRESSAVG: 4242400 -2.24122 -42.0725 -38.0766 -45.4646 5.52065 19.5122 -36.7945 22.0023 -18.8997 TIMING: 4242400 CPU: 13465.1, 0.00314331/step Wall: 13465.1, 0.00314331/step, 0.661492 hours remaining, 240.039062 MB of memory in use. ENERGY: 4242400 4022.8934 20584.9388 14506.4334 238.2493 -202887.7910 2253.0519 0.0000 0.0000 52309.6123 -108972.6120 300.6241 -161282.2242 -108607.9313 300.2886 -117.3333 -96.9930 761239.2814 -5.0169 -5.2067 PRESSURE: 4242600 -124.577 -286.592 42.9005 -286.592 -38.0865 45.8634 42.8995 45.8631 179.085 GPRESSURE: 4242600 -165.823 -322.754 73.0027 -211.618 78.8708 -27.6967 78.6368 80.0863 189.908 PRESSAVG: 4242600 -9.00517 -51.777 -45.8293 -51.777 -3.10665 27.4691 -45.8293 27.4691 -21.829 GPRESSAVG: 4242600 -7.48767 -53.1133 -44.4417 -51.0449 -3.79692 29.8126 -46.8286 25.6927 -22.435 TIMING: 4242600 CPU: 13465.7, 0.0031772/step Wall: 13465.7, 0.0031772/step, 0.668448 hours remaining, 240.039062 MB of memory in use. ENERGY: 4242600 4004.2218 20519.6053 14460.2055 253.0089 -203505.3329 2650.4752 0.0000 0.0000 52412.5276 -109205.2885 301.2155 -161617.8161 -108841.8040 300.6058 5.4737 34.3185 760884.6108 -11.3136 -11.2399 PRESSURE: 4242800 148.763 37.4207 -13.1466 37.4208 -243.173 7.8541 -13.1468 7.85397 18.2028 GPRESSURE: 4242800 155.506 41.748 4.23238 49.5483 -171.958 -15.2281 53.1516 -119.913 26.2009 PRESSAVG: 4242800 -27.3814 17.8325 -54.0501 17.8325 12.0838 22.8317 -54.0501 22.8317 27.8964 GPRESSAVG: 4242800 -25.7054 18.0388 -54.3694 19.4683 10.6274 20.0558 -54.9 23.09 27.9533 TIMING: 4242800 CPU: 13466.4, 0.00316609/step Wall: 13466.4, 0.00316609/step, 0.665935 hours remaining, 240.039062 MB of memory in use. ENERGY: 4242800 4090.0995 20538.7779 14467.3685 258.7878 -203164.5342 2441.6821 0.0000 0.0000 52191.2169 -109176.6017 299.9436 -161367.8186 -108810.3913 300.1791 -25.4022 3.2496 760072.1299 4.1996 4.2918 PRESSURE: 4243000 55.2234 13.9494 -97.7626 13.9494 -194.554 359.875 -97.762 359.876 -25.351 GPRESSURE: 4243000 110.84 105.871 -136.544 9.77452 -125.432 290.045 -43.8626 412.235 -76.0728 PRESSAVG: 4243000 -19.9133 -46.8345 -8.01143 -46.8345 22.8126 92.477 -8.01151 92.477 5.6299 GPRESSAVG: 4243000 -21.7478 -45.8775 -8.77133 -49.7256 24.307 94.9987 -6.75482 93.6513 6.33448 TIMING: 4243000 CPU: 13467, 0.00315654/step Wall: 13467, 0.00315654/step, 0.66375 hours remaining, 240.039062 MB of memory in use. ENERGY: 4243000 4005.3126 20500.6776 14512.3435 242.3560 -203084.2780 2506.8453 0.0000 0.0000 52194.7149 -109122.0281 299.9637 -161316.7430 -108761.4938 299.5120 -54.8940 -30.2216 762336.0980 2.8431 2.9646 PRESSURE: 4243200 -107.287 -36.607 -25.2043 -36.6065 -10.5215 -141.147 -25.2039 -141.147 85.7081 GPRESSURE: 4243200 91.2141 31.64 -50.566 67.5006 -45.4603 -140.868 -9.27217 12.7244 22.9247 PRESSAVG: 4243200 7.17127 4.18566 24.5403 4.18565 6.48066 31.4656 24.5403 31.4656 -3.0525 GPRESSAVG: 4243200 7.51666 3.73299 24.7841 5.85877 5.49918 30.6305 23.1003 30.723 -3.10408 TIMING: 4243200 CPU: 13467.6, 0.00315132/step Wall: 13467.6, 0.00315132/step, 0.662477 hours remaining, 240.039062 MB of memory in use. ENERGY: 4243200 4029.3883 20736.3434 14482.9521 272.0183 -203157.8177 2445.9062 0.0000 0.0000 52053.6454 -109137.5641 299.1530 -161191.2095 -108772.8724 299.8446 -10.7002 22.8928 761363.9252 3.5331 3.3039 PRESSURE: 4243400 -365.216 62.6202 2.69074 62.6193 -121.193 -158.418 2.69137 -158.418 -106.439 GPRESSURE: 4243400 -323.803 -28.913 43.9257 100.694 0.308748 -176.882 93.0202 -72.0384 -185.56 PRESSAVG: 4243400 -32.3309 -49.9583 15.9258 -49.9583 0.464999 22.911 15.9258 22.911 3.45343 GPRESSAVG: 4243400 -32.1877 -50.5404 16.0957 -50.0369 -0.139731 20.6357 16.6905 26.361 4.04993 TIMING: 4243400 CPU: 13468.3, 0.00316371/step Wall: 13468.3, 0.00316371/step, 0.664905 hours remaining, 240.039062 MB of memory in use. ENERGY: 4243400 3994.4869 20674.1023 14483.4341 243.2134 -202987.6105 2421.5882 0.0000 0.0000 51939.9185 -109230.8670 298.4994 -161170.7855 -108871.0560 299.7672 -197.6161 -169.6845 762918.6109 -9.4708 -9.4258 PRESSURE: 4243600 174.436 170.931 -188.62 170.931 199.475 201.02 -188.619 201.021 119.343 GPRESSURE: 4243600 159.822 153.773 -199.977 121.342 188.915 248.229 -145.856 236.848 203.403 PRESSAVG: 4243600 -7.55207 -17.0401 -12.0487 -17.0401 7.74625 28.9516 -12.0487 28.9516 -3.10502 GPRESSAVG: 4243600 -7.40505 -17.1145 -13.6047 -18.0874 7.49184 29.2137 -11.3927 28.1896 -2.91249 TIMING: 4243600 CPU: 13468.9, 0.00314887/step Wall: 13468.9, 0.00314887/step, 0.661612 hours remaining, 240.039062 MB of memory in use. ENERGY: 4243600 3949.2306 20547.9219 14522.9935 272.3112 -203542.4760 2670.2051 0.0000 0.0000 52151.3111 -109428.5027 299.7143 -161579.8138 -109057.0635 299.4927 164.4180 184.0466 762911.0360 -0.9703 -0.9419 PRESSURE: 4243800 -134.029 13.7359 -33.0812 13.7358 -65.9904 249.173 -33.0811 249.173 -171.567 GPRESSURE: 4243800 -155.416 33.5364 -27.9344 -27.6139 57.4622 298.573 -221.452 130.608 -188.544 PRESSAVG: 4243800 -14.5698 -43.1677 -30.1128 -43.1677 15.7083 0.115066 -30.1128 0.11497 27.933 GPRESSAVG: 4243800 -14.6093 -41.5345 -31.3318 -43.4606 15.765 -0.0523188 -29.7221 -0.175083 27.5723 TIMING: 4243800 CPU: 13469.5, 0.00314274/step Wall: 13469.5, 0.00314274/step, 0.660149 hours remaining, 240.039062 MB of memory in use. ENERGY: 4243800 4075.9335 20591.3530 14420.7239 236.8778 -202992.8466 2308.0079 0.0000 0.0000 51978.7337 -109381.2167 298.7225 -161359.9505 -109023.4180 299.4704 -123.8623 -95.4994 761959.1187 9.6905 9.5760 PRESSURE: 4244000 -88.8171 -115.728 -65.6182 -115.727 103.045 -121.996 -65.6173 -121.997 4.92952 GPRESSURE: 4244000 36.7882 2.45333 -123.266 -125.021 30.5802 -55.3137 62.6805 -36.6998 38.5902 PRESSAVG: 4244000 -34.852 -23.4995 -59.3912 -23.4995 -18.9454 19.4132 -59.3911 19.4133 14.7107 GPRESSAVG: 4244000 -34.778 -23.4795 -57.4067 -22.7956 -18.7499 19.9271 -58.2378 19.0111 14.269 TIMING: 4244000 CPU: 13470.1, 0.00312866/step Wall: 13470.1, 0.00312866/step, 0.657019 hours remaining, 240.039062 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: 4244000 4023.7999 20437.4333 14465.6365 241.2130 -203030.3105 2422.6616 0.0000 0.0000 52245.0920 -109194.4741 300.2533 -161439.5661 -108836.6050 299.5759 6.3859 35.3195 762232.3548 -13.0289 -13.0863 PRESSURE: 4244200 28.0902 34.2747 224.715 34.275 18.9082 -26.6337 224.714 -26.6331 -306.753 GPRESSURE: 4244200 161.77 -10.6296 205.347 137.438 -52.4751 -84.772 231.689 43.5802 -274.625 PRESSAVG: 4244200 34.0612 -33.7787 -26.2497 -33.7786 -17.735 28.0861 -26.2496 28.0861 10.5247 GPRESSAVG: 4244200 34.1611 -32.6195 -26.3744 -34.1309 -17.6025 28.3161 -27.3836 25.0499 10.1681 TIMING: 4244200 CPU: 13470.8, 0.00313722/step Wall: 13470.8, 0.00313722/step, 0.658643 hours remaining, 240.039062 MB of memory in use. ENERGY: 4244200 4124.0060 20465.9219 14486.6880 252.3768 -203889.0430 2886.9717 0.0000 0.0000 52316.4010 -109356.6777 300.6631 -161673.0786 -109000.7855 300.2087 -86.5849 -55.1102 760138.4589 8.9503 8.9089 LDB: ============= START OF LOAD BALANCING ============== 13483.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13483.2 LDB: =============== DONE WITH MIGRATION ================ 13483.2 LDB: ============= START OF LOAD BALANCING ============== 13483.5 LDB: Largest compute 7056 load 0.036192 is 18.5% of average load 0.195303 LDB: Average compute 0.004416 is 2.3% of average load 0.195303 LDB: TIME 13483.5 LOAD: AVG 0.195303 MAX 0.214195 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 13483.5 LOAD: AVG 0.195303 MAX 0.214195 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.621 MB LDB: TIME 13483.5 LOAD: AVG 0.195303 MAX 0.214195 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.621 MB LDB: ============== END OF LOAD BALANCING =============== 13483.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13483.6 PRESSURE: 4244400 -261.85 -228.654 -257.504 -228.653 26.188 5.87958 -257.503 5.87884 -124.588 GPRESSURE: 4244400 -354.424 -206.065 -241.726 -220.242 183.838 -6.18485 -235.18 86.0181 -105.433 PRESSAVG: 4244400 -25.2914 -25.5646 -40.0421 -25.5646 11.8011 -14.3351 -40.042 -14.3351 12.1585 GPRESSAVG: 4244400 -26.9249 -27.0983 -39.8571 -24.4626 12.9401 -12.8678 -41.3814 -14.4107 12.3531 TIMING: 4244400 CPU: 13471.4, 0.0032093/step Wall: 13471.4, 0.0032093/step, 0.673597 hours remaining, 239.527344 MB of memory in use. ENERGY: 4244400 3992.3657 20648.2026 14418.3245 245.9180 -203387.9223 2471.8510 0.0000 0.0000 52176.9893 -109434.2711 299.8619 -161611.2604 -109067.9718 300.1918 -120.0833 -92.0065 760581.0196 -0.4440 -0.5439 PRESSURE: 4244600 -242.426 -130.824 -192.629 -130.823 -126.763 -183.854 -192.63 -183.855 174.637 GPRESSURE: 4244600 -161.759 -162.547 -236.511 -67.4098 -104.71 -212.217 -100.069 -68.5673 153.325 PRESSAVG: 4244600 45.7126 -25.2838 -68.5469 -25.2838 -19.515 18.7518 -68.5469 18.7518 3.29031 GPRESSAVG: 4244600 45.3588 -25.2063 -69.2832 -24.5452 -19.7317 16.3745 -67.7263 20.8122 3.57575 TIMING: 4244600 CPU: 13472, 0.00314517/step Wall: 13472, 0.00314517/step, 0.659962 hours remaining, 239.527344 MB of memory in use. ENERGY: 4244600 4029.1766 20642.8584 14455.5088 239.2838 -203218.2875 2323.5225 0.0000 0.0000 52121.0965 -109406.8408 299.5407 -161527.9373 -109041.8377 299.5271 -64.8508 -37.7144 761113.5559 9.8293 9.7343 PRESSURE: 4244800 -26.9921 -122.378 -62.9769 -122.378 223.115 39.6127 -62.9769 39.6126 120.163 GPRESSURE: 4244800 -63.6948 -39.338 -54.8081 -93.6228 197.248 16.4526 -98.248 -98.0772 249.766 PRESSAVG: 4244800 -8.30864 -61.0359 -16.975 -61.0358 -12.8181 0.479052 -16.975 0.479048 4.81993 GPRESSAVG: 4244800 -6.50041 -59.5826 -15.7049 -62.404 -14.8455 1.08123 -16.6227 3.54502 5.39785 TIMING: 4244800 CPU: 13472.7, 0.00314629/step Wall: 13472.7, 0.00314629/step, 0.660022 hours remaining, 239.527344 MB of memory in use. ENERGY: 4244800 3867.8439 20586.8419 14476.2888 253.2448 -203113.8154 2307.8995 0.0000 0.0000 52234.9903 -109386.7061 300.1952 -161621.6965 -109019.3994 299.5013 105.4288 127.7733 760429.3870 -5.4356 -5.3160 PRESSURE: 4245000 171.216 113.168 -153.57 113.167 -82.3917 32.591 -153.57 32.5908 -314.935 GPRESSURE: 4245000 140.525 29.1096 -107.052 55.2352 12.9338 31.5499 -212.918 -31.5642 -290.604 PRESSAVG: 4245000 5.03866 -64.9777 -12.7121 -64.9777 -42.6038 -17.4647 -12.7121 -17.4647 14.6982 GPRESSAVG: 4245000 3.68057 -68.5801 -14.4077 -63.9986 -40.4471 -17.0912 -12.1031 -19.95 13.8687 TIMING: 4245000 CPU: 13473.3, 0.00314893/step Wall: 13473.3, 0.00314893/step, 0.660401 hours remaining, 239.527344 MB of memory in use. ENERGY: 4245000 4037.3620 20551.7432 14469.1246 256.2576 -203507.2463 2546.6295 0.0000 0.0000 52214.6465 -109431.4830 300.0783 -161646.1295 -109069.6413 299.0502 -75.3700 -45.7151 761134.6738 -7.6223 -7.6326 PRESSURE: 4245200 -144.973 57.7519 -68.0612 57.7523 232.992 -160.607 -68.0608 -160.606 -263.184 GPRESSURE: 4245200 -50.7134 4.89467 -14.1872 75.3837 161.269 -128.387 -142.988 -157.186 -204.502 PRESSAVG: 4245200 -0.683985 -50.5228 -29.0477 -50.5228 -17.0457 29.0223 -29.0477 29.0223 31.3799 GPRESSAVG: 4245200 -0.311305 -48.0137 -29.4023 -52.1605 -17.9354 30.0455 -27.9329 27.1172 31.6533 TIMING: 4245200 CPU: 13473.9, 0.00314512/step Wall: 13473.9, 0.00314512/step, 0.659426 hours remaining, 239.527344 MB of memory in use. ENERGY: 4245200 3984.0232 20692.4029 14516.3897 248.2574 -203134.5374 2317.5757 0.0000 0.0000 52158.7279 -109217.1607 299.7569 -161375.8885 -108866.8188 299.2251 -58.3885 -31.3155 761231.8525 4.5501 4.4689 PRESSURE: 4245400 189.98 27.7079 81.8383 27.7082 -191.594 -218.319 81.8378 -218.318 -123.107 GPRESSURE: 4245400 134.79 -111.181 81.5731 47.7823 -134.806 -187.854 92.3256 -179.177 -53.1491 PRESSAVG: 4245400 4.90946 -33.7851 12.1901 -33.7852 -19.4825 -3.40254 12.1901 -3.40259 -6.38369 GPRESSAVG: 4245400 4.4978 -35.342 12.7064 -32.5176 -19.003 -3.92157 7.73713 -2.34668 -6.52974 TIMING: 4245400 CPU: 13474.6, 0.00313546/step Wall: 13474.6, 0.00313546/step, 0.657227 hours remaining, 239.527344 MB of memory in use. ENERGY: 4245400 3999.5850 20614.5367 14526.1695 260.7164 -202902.2240 2289.8777 0.0000 0.0000 51964.7621 -109246.5766 298.6422 -161211.3388 -108887.8376 299.5573 -41.5740 -17.7214 762147.2767 -6.9856 -7.0117 PRESSURE: 4245600 -181.863 23.3816 -216.687 23.3821 26.8814 9.36249 -216.687 9.36165 325.411 GPRESSURE: 4245600 -102.674 -44.7635 -176.343 81.9875 94.9681 -43.9846 -81.9241 22.8677 274.096 PRESSAVG: 4245600 52.101 -57.8662 -11.7246 -57.8662 -47.031 6.9607 -11.7246 6.96062 26.2379 GPRESSAVG: 4245600 51.9541 -57.1579 -10.9049 -58.7302 -47.8131 6.89405 -9.31817 6.14432 27.0743 TIMING: 4245600 CPU: 13475.2, 0.00313081/step Wall: 13475.2, 0.00313081/step, 0.656079 hours remaining, 239.527344 MB of memory in use. ENERGY: 4245600 3955.5789 20511.6913 14507.2550 245.4017 -203429.6209 2584.5270 0.0000 0.0000 52145.6649 -109479.5022 299.6819 -161625.1670 -109123.7531 300.0431 56.8101 88.7969 760238.3548 10.4360 10.4051 PRESSURE: 4245800 113.985 -60.129 107.154 -60.1297 515.712 27.4177 107.154 27.417 -43.0288 GPRESSURE: 4245800 203.665 -15.5302 85.8464 -75.9098 510.594 -39.536 204.262 170.18 -50.7643 PRESSAVG: 4245800 -2.30056 -13.8113 33.2204 -13.8113 15.7176 -14.0104 33.2204 -14.0104 20.2342 GPRESSAVG: 4245800 -1.47843 -13.4358 33.2759 -13.2747 16.8805 -15.2783 34.511 -13.2092 17.9809 TIMING: 4245800 CPU: 13475.8, 0.00312595/step Wall: 13475.8, 0.00312595/step, 0.654887 hours remaining, 239.527344 MB of memory in use. ENERGY: 4245800 3931.0122 20702.2948 14508.2926 246.3513 -203607.0018 2631.6080 0.0000 0.0000 52084.1856 -109503.2573 299.3285 -161587.4428 -109139.7163 300.1402 195.5561 221.1649 759311.5247 11.2171 11.1277 PRESSURE: 4246000 -62.0335 157.061 -218.143 157.061 -122.697 -95.9921 -218.143 -95.9915 29.9572 GPRESSURE: 4246000 33.9852 62.7165 -164.866 228.8 -124.521 -141.462 -220.833 -164.732 26.1996 PRESSAVG: 4246000 8.90513 13.6366 4.5827 13.6366 0.460979 -33.9243 4.58279 -33.9243 18.6977 GPRESSAVG: 4246000 8.49463 12.9639 5.85655 12.3221 -0.981984 -32.1744 1.89441 -34.8628 20.2469 TIMING: 4246000 CPU: 13476.4, 0.00313964/step Wall: 13476.4, 0.00313964/step, 0.65758 hours remaining, 239.527344 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: 4246000 3960.7074 20424.4651 14462.9969 257.2976 -203400.5657 2562.0553 0.0000 0.0000 52217.3375 -109515.7059 300.0938 -161733.0434 -109152.4627 299.5107 -51.5913 -21.4452 760933.0146 9.3546 9.2532 PRESSURE: 4246200 -168.484 -61.1104 376.875 -61.1098 235.551 -180.798 376.875 -180.798 39.7315 GPRESSURE: 4246200 -34.7136 108.999 361.704 -85.2107 219.031 -148.029 283.188 -305.101 23.279 PRESSAVG: 4246200 -47.4908 -49.2487 43.7626 -49.2486 37.9177 40.937 43.7627 40.937 -10.3913 GPRESSAVG: 4246200 -48.9756 -48.1631 41.9137 -47.6195 38.5365 40.3565 44.5898 41.5899 -9.8556 TIMING: 4246200 CPU: 13477.1, 0.00312271/step Wall: 13477.1, 0.00312271/step, 0.653861 hours remaining, 239.527344 MB of memory in use. ENERGY: 4246200 4045.7371 20548.3526 14411.8752 238.1787 -203291.9191 2456.5913 0.0000 0.0000 52058.1011 -109533.0831 299.1786 -161591.1842 -109172.7852 299.0901 35.5994 69.1988 761419.2463 -6.6548 -6.7649 PRESSURE: 4246400 -176.696 80.1736 32.6925 80.1728 32.8038 -60.0489 32.6923 -60.0485 -108.624 GPRESSURE: 4246400 -159.584 14.6094 -24.397 139.149 75.2177 -49.0605 28.0309 -198.125 -91.5601 PRESSAVG: 4246400 -23.4012 -21.6736 81.6021 -21.6736 16.0198 -52.4966 81.6021 -52.4967 -9.44369 GPRESSAVG: 4246400 -21.7301 -21.5378 81.0645 -23.0075 15.2106 -52.3944 82.7359 -52.4537 -9.81146 TIMING: 4246400 CPU: 13477.7, 0.00314543/step Wall: 13477.7, 0.00314543/step, 0.658444 hours remaining, 239.527344 MB of memory in use. ENERGY: 4246400 4033.8253 20534.6703 14400.0174 241.5755 -203133.5408 2232.4222 0.0000 0.0000 52192.8304 -109498.1997 299.9529 -161691.0301 -109136.7150 299.4997 -84.1723 -58.6421 761285.6899 -5.6084 -5.4437 PRESSURE: 4246600 281.747 110.766 10.5746 110.766 212.643 103.566 10.5753 103.566 15.1505 GPRESSURE: 4246600 244.043 110.101 5.96333 34.3047 271.215 95.6623 70.4838 43.6864 77.7873 PRESSAVG: 4246600 30.1472 26.7886 14.593 26.7887 -57.2222 -25.4999 14.593 -25.4999 -15.9802 GPRESSAVG: 4246600 29.1124 25.1416 15.6107 27.459 -56.0437 -25.8848 15.899 -24.765 -16.3044 TIMING: 4246600 CPU: 13478.3, 0.00314136/step Wall: 13478.3, 0.00314136/step, 0.657416 hours remaining, 239.527344 MB of memory in use. ENERGY: 4246600 3939.1876 20597.0185 14481.6513 237.5148 -203358.7750 2526.4828 0.0000 0.0000 51898.5907 -109678.3293 298.2619 -161576.9200 -109314.2401 298.6998 169.8467 197.6820 759765.1161 -14.3517 -14.4119 PRESSURE: 4246800 -111.459 -137.656 30.0599 -137.655 -164.834 -142.896 30.0597 -142.895 -391.915 GPRESSURE: 4246800 -97.4419 -71.3575 45.6968 -55.8061 -125.78 -160.954 -14.6162 3.99714 -364.651 PRESSAVG: 4246800 -1.10402 13.1202 -4.93622 13.1203 15.5741 -30.2182 -4.93621 -30.2182 -27.1422 GPRESSAVG: 4246800 -0.844967 13.4317 -4.86907 13.4642 15.8896 -31.2197 -7.35452 -28.1204 -27.8138 TIMING: 4246800 CPU: 13479, 0.00314006/step Wall: 13479, 0.00314006/step, 0.65697 hours remaining, 239.527344 MB of memory in use. ENERGY: 4246800 4038.6377 20584.0948 14426.9862 234.1147 -203483.7243 2571.4413 0.0000 0.0000 51945.7895 -109682.6601 298.5332 -161628.4496 -109324.0842 298.8599 -222.7360 -195.9576 758886.1178 -4.2240 -4.2564 PRESSURE: 4247000 276.34 -34.9978 -31.4028 -34.9971 105.441 -118.153 -31.4028 -118.154 81.2425 GPRESSURE: 4247000 272.158 49.4943 -16.0049 8.10458 113.849 -146.483 -98.4499 -201.456 186.004 PRESSAVG: 4247000 -19.9371 -44.44 60.0561 -44.44 22.4389 -17.6605 60.0561 -17.6605 14.1347 GPRESSAVG: 4247000 -20.8915 -44.7034 59.8173 -46.1006 22.5691 -16.4063 62.0324 -18.76 15.2484 TIMING: 4247000 CPU: 13479.6, 0.00314957/step Wall: 13479.6, 0.00314957/step, 0.658784 hours remaining, 239.527344 MB of memory in use. ENERGY: 4247000 3991.6464 20620.4183 14489.9528 245.1722 -203308.8697 2277.9371 0.0000 0.0000 51939.2837 -109744.4592 298.4958 -161683.7429 -109397.7470 299.3083 154.3413 190.6706 758608.7559 5.5455 5.6420 PRESSURE: 4247200 -254.983 -97.0356 205.717 -97.0355 -130.131 31.7253 205.717 31.7265 204.397 GPRESSURE: 4247200 -189.348 32.4179 95.4921 -26.9947 -117.651 56.2846 164.044 66.4667 191.246 PRESSAVG: 4247200 15.8167 29.711 12.5017 29.711 3.90247 1.2171 12.5017 1.21721 -11.0041 GPRESSAVG: 4247200 16.5507 31.3802 13.0052 31.2118 3.76581 1.75697 11.6831 0.615253 -11.3877 TIMING: 4247200 CPU: 13480.2, 0.00315631/step Wall: 13480.2, 0.00315631/step, 0.660019 hours remaining, 239.527344 MB of memory in use. ENERGY: 4247200 3951.6469 20663.0674 14500.4139 221.1731 -203645.3971 2548.0595 0.0000 0.0000 51929.2191 -109831.8171 298.4379 -161761.0362 -109465.0047 299.1685 -60.2390 -38.5845 758427.9355 2.9050 2.9763 PRESSURE: 4247400 105.68 -83.6054 -80.7458 -83.6057 41.8381 -43.9725 -80.7458 -43.973 -43.6186 GPRESSURE: 4247400 123.143 -45.3114 -33.8422 18.9345 95.6209 59.2266 -67.7217 59.9042 -36.4223 PRESSAVG: 4247400 10.7702 -64.9705 -6.02297 -64.9704 -52.29 -67.9144 -6.02293 -67.9144 -4.97137 GPRESSAVG: 4247400 10.6305 -63.0911 -7.15962 -65.2821 -52.5711 -67.7913 -7.10473 -68.697 -4.61836 TIMING: 4247400 CPU: 13480.8, 0.00315321/step Wall: 13480.8, 0.00315321/step, 0.659197 hours remaining, 239.527344 MB of memory in use. ENERGY: 4247400 3999.9309 20441.3136 14442.0170 245.4600 -203514.1610 2427.3443 0.0000 0.0000 52158.6587 -109799.4363 299.7565 -161958.0951 -109433.0950 299.1937 34.6331 60.7807 758270.3228 -15.4971 -15.5196 PRESSURE: 4247600 -33.5148 -147.333 94.4647 -147.333 -196.134 52.2628 94.4634 52.261 479.058 GPRESSURE: 4247600 56.5344 -172.836 38.1375 -70.7774 -120.323 61.7311 145.88 10.7144 384.54 PRESSAVG: 4247600 -51.5596 -8.31753 3.38202 -8.31753 22.9367 -1.56684 3.38207 -1.56679 17.1321 GPRESSAVG: 4247600 -51.2212 -11.7354 4.72583 -7.61587 24.6869 -3.39725 3.1849 0.0787878 16.1454 TIMING: 4247600 CPU: 13481.5, 0.00316139/step Wall: 13481.5, 0.00316139/step, 0.660731 hours remaining, 239.527344 MB of memory in use. ENERGY: 4247600 4052.1758 20483.7047 14477.7583 246.1635 -203410.6446 2576.9415 0.0000 0.0000 51905.2485 -109668.6522 298.3002 -161573.9007 -109308.1446 299.0140 83.1366 106.9171 760292.4888 -3.8302 -3.4630 PRESSURE: 4247800 30.0093 -77.3411 -23.8981 -77.3411 -47.9986 88.0672 -23.8974 88.0671 -205.704 GPRESSURE: 4247800 4.47484 -65.1665 -68.3066 50.9428 -67.9934 147.907 -98.472 32.9644 -68.7842 PRESSAVG: 4247800 32.6231 -46.3337 -12.3843 -46.3337 -52.5729 11.2319 -12.3844 11.2318 22.4266 GPRESSAVG: 4247800 31.6857 -44.4666 -12.8487 -45.8663 -53.0479 11.6026 -13.1031 9.37472 24.4222 TIMING: 4247800 CPU: 13482.1, 0.00316331/step Wall: 13482.1, 0.00316331/step, 0.660957 hours remaining, 239.527344 MB of memory in use. ENERGY: 4247800 4034.1995 20472.7179 14492.8550 273.1417 -203292.7254 2254.3728 0.0000 0.0000 51952.5773 -109812.8613 298.5722 -161765.4386 -109459.2066 298.8086 -74.5644 -44.1009 759471.1235 0.8256 1.0200 PRESSURE: 4248000 -347.167 -107.554 16.5358 -107.554 -537.404 -52.8862 16.5357 -52.8875 379.099 GPRESSURE: 4248000 -290.314 -81.5438 119.724 -197.268 -375.515 -98.4963 77.9577 -83.0762 242.48 PRESSAVG: 4248000 5.25598 -70.5791 32.3424 -70.5791 -35.7761 9.8636 32.3424 9.86361 -7.27924 GPRESSAVG: 4248000 6.23857 -70.9449 33.4807 -68.718 -35.0388 10.8543 32.7761 10.1132 -8.77036 TIMING: 4248000 CPU: 13482.7, 0.00315095/step Wall: 13482.7, 0.00315095/step, 0.658198 hours remaining, 239.527344 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: 4248000 4045.8053 20555.1715 14410.5716 239.8342 -203170.5709 2379.1141 0.0000 0.0000 51708.0237 -109832.0506 297.1667 -161540.0742 -109475.2898 298.4756 -168.4908 -141.1166 759783.4035 -12.5998 -12.5235 PRESSURE: 4248200 -127.344 -141.737 71.4233 -141.736 -12.6447 -195.755 71.4224 -195.755 9.25376 GPRESSURE: 4248200 -55.794 -98.6158 122.211 -49.5956 -5.38264 -83.7762 183.062 -241.471 10.4482 PRESSAVG: 4248200 -1.71989 -3.73822 100.598 -3.73823 11.827 -19.7947 100.598 -19.7947 12.2855 GPRESSAVG: 4248200 -1.02987 -3.09741 101.175 -7.60393 10.5148 -20.5273 101.337 -21.3665 12.9653 TIMING: 4248200 CPU: 13483.4, 0.00315026/step Wall: 13483.4, 0.00315026/step, 0.65788 hours remaining, 239.527344 MB of memory in use. ENERGY: 4248200 4010.6327 20529.6228 14451.1765 237.9121 -203661.3844 2574.9608 0.0000 0.0000 52100.1413 -109756.9381 299.4202 -161857.0795 -109399.5424 299.1062 -43.5782 -16.9095 760412.8127 7.4642 7.4834 LDB: ============= START OF LOAD BALANCING ============== 13495.8 LDB: ============== END OF LOAD BALANCING =============== 13495.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13495.8 LDB: ============= START OF LOAD BALANCING ============== 13496.1 LDB: Largest compute 7031 load 0.035479 is 18.2% of average load 0.195392 LDB: Average compute 0.004399 is 2.3% of average load 0.195392 LDB: TIME 13496.1 LOAD: AVG 0.195392 MAX 0.216899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 13496.1 LOAD: AVG 0.195392 MAX 0.216899 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 13496.1 LOAD: AVG 0.195392 MAX 0.216899 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 13496.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13496.1 PRESSURE: 4248400 -170.519 -154.242 160.657 -154.243 -607.14 86.4919 160.656 86.4935 229.701 GPRESSURE: 4248400 -147.157 -177.504 148.705 -216.714 -545.477 79.5681 112.714 121.582 226.276 PRESSAVG: 4248400 68.0055 5.81583 54.3099 5.81584 -36.1367 -1.83781 54.3099 -1.83773 2.75552 GPRESSAVG: 4248400 68.5837 6.04393 51.7896 6.11046 -36.0752 -1.52371 54.3106 -0.188137 2.13176 TIMING: 4248400 CPU: 13484, 0.0032167/step Wall: 13484, 0.0032167/step, 0.671575 hours remaining, 240.039062 MB of memory in use. ENERGY: 4248400 3985.1422 20358.8749 14429.4246 263.1762 -202917.8071 2115.6612 0.0000 0.0000 52143.7284 -109621.7995 299.6707 -161765.5279 -109243.9942 299.5541 -182.6529 -155.4526 760956.9651 11.5414 11.5467 PRESSURE: 4248600 134.834 -213.109 136.941 -213.109 -36.789 -71.0657 136.939 -71.065 499.131 GPRESSURE: 4248600 198.461 -164.308 95.8863 -237.293 50.7086 -132.174 140.29 -0.960434 428.91 PRESSAVG: 4248600 36.3887 -31.5148 64.5172 -31.5148 -36.9328 44.8223 64.5172 44.8224 -15.1655 GPRESSAVG: 4248600 35.7837 -33.9275 65.9437 -32.0136 -36.8526 44.4864 64.7619 46.0795 -14.7568 TIMING: 4248600 CPU: 13484.6, 0.00314672/step Wall: 13484.6, 0.00314672/step, 0.656791 hours remaining, 240.039062 MB of memory in use. ENERGY: 4248600 4008.1502 20614.1524 14432.7445 250.7932 -203341.3355 2587.0223 0.0000 0.0000 52086.6069 -109361.8660 299.3424 -161448.4728 -108993.5165 299.2843 199.0589 226.0266 759573.7744 -5.2365 -5.2752 PRESSURE: 4248800 167.857 -140.741 62.932 -140.742 23.8865 20.5524 62.9317 20.5528 191.978 GPRESSURE: 4248800 218.863 -144.621 43.2542 -62.803 78.9729 60.6519 3.17312 46.9383 182.762 PRESSAVG: 4248800 -11.0614 -86.7221 17.2318 -86.7222 3.81373 24.8687 17.2318 24.8687 -2.71354 GPRESSAVG: 4248800 -11.5823 -86.2733 15.5907 -84.9856 4.90689 23.8261 16.9851 23.084 -3.05808 TIMING: 4248800 CPU: 13485.3, 0.00315624/step Wall: 13485.3, 0.00315624/step, 0.658602 hours remaining, 240.039062 MB of memory in use. ENERGY: 4248800 3980.2161 20683.9502 14494.8823 244.9670 -203148.4831 2460.2282 0.0000 0.0000 52207.0852 -109077.1541 300.0348 -161284.2393 -108716.7908 300.5842 127.9071 160.1995 759549.3136 -3.3204 -3.2445 PRESSURE: 4249000 172.566 64.4254 -228.54 64.4257 -30.3285 172.252 -228.54 172.253 230.006 GPRESSURE: 4249000 204.57 70.1432 -222.77 79.8292 17.6647 62.1156 -282.816 146.127 241.093 PRESSAVG: 4249000 59.513 -49.9903 -68.4543 -49.9904 -57.6891 79.1248 -68.4543 79.1248 -1.77849 GPRESSAVG: 4249000 59.7956 -50.6156 -66.0975 -50.2682 -57.4493 78.7933 -70.2166 79.9912 -2.1235 TIMING: 4249000 CPU: 13485.9, 0.00314265/step Wall: 13485.9, 0.00314265/step, 0.655592 hours remaining, 240.039062 MB of memory in use. ENERGY: 4249000 4013.7612 20510.6171 14515.3691 261.4671 -203532.7370 2573.7145 0.0000 0.0000 52319.2787 -109338.5291 300.6796 -161657.8079 -108975.5249 300.2493 124.0814 154.4423 760335.8382 0.0151 0.0743 PRESSURE: 4249200 -113.286 -148.199 -196.721 -148.2 -174.875 31.1864 -196.721 31.1857 252.343 GPRESSURE: 4249200 -79.4352 -173.365 -114.455 -106.705 -105.301 18.4697 -154.364 33.5352 244.534 PRESSAVG: 4249200 34.3593 -22.8961 -44.4733 -22.896 -69.6332 46.4419 -44.4734 46.442 2.89266 GPRESSAVG: 4249200 33.1828 -22.0225 -44.9256 -21.1681 -69.2156 47.904 -39.438 49.4 3.56353 TIMING: 4249200 CPU: 13486.5, 0.00314111/step Wall: 13486.5, 0.00314111/step, 0.655096 hours remaining, 240.039062 MB of memory in use. ENERGY: 4249200 4031.8790 20631.8489 14546.8170 248.7081 -203391.0648 2518.0580 0.0000 0.0000 52017.0375 -109396.7164 298.9426 -161413.7538 -109041.7157 299.4920 -11.9394 19.9326 760728.9433 -10.7937 -10.8231 PRESSURE: 4249400 5.11494 -125.841 -173.065 -125.841 41.8774 -277.031 -173.064 -277.031 -107.509 GPRESSURE: 4249400 36.7674 -120.717 -261.267 -154.136 46.3135 -334.427 -274.61 -232.598 -73.3579 PRESSAVG: 4249400 12.6835 -8.75541 -9.36597 -8.75539 -22.1344 -15.7267 -9.36602 -15.7267 -5.11079 GPRESSAVG: 4249400 14.3614 -8.35294 -9.8624 -9.39337 -23.4066 -16.0219 -13.7682 -18.8632 -5.44504 TIMING: 4249400 CPU: 13487.2, 0.00314338/step Wall: 13487.2, 0.00314338/step, 0.655394 hours remaining, 240.039062 MB of memory in use. ENERGY: 4249400 3992.1690 20760.2102 14501.1859 245.7083 -203456.6910 2346.2684 0.0000 0.0000 52118.6373 -109492.5119 299.5265 -161611.1492 -109136.0063 299.6931 -20.1721 3.2410 760136.1605 -4.8539 -4.8301 PRESSURE: 4249600 182.809 -207.604 -129.748 -207.603 38.3363 45.9106 -129.748 45.9095 188.147 GPRESSURE: 4249600 172.196 -147.089 -177.96 -115.683 170 32.2138 -98.141 234.123 140.253 PRESSAVG: 4249600 34.6905 -10.7753 69.5782 -10.7754 -22.7181 -4.0327 69.5782 -4.03266 24.6989 GPRESSAVG: 4249600 33.3769 -11.557 69.7031 -12.5199 -22.2271 -3.9968 72.4009 -3.90486 25.3672 TIMING: 4249600 CPU: 13487.8, 0.00315083/step Wall: 13487.8, 0.00315083/step, 0.656774 hours remaining, 240.039062 MB of memory in use. ENERGY: 4249600 4038.6355 20548.2668 14458.9959 248.5539 -203651.9815 2571.7319 0.0000 0.0000 52047.1775 -109738.6199 299.1158 -161785.7974 -109381.5387 299.3565 136.4308 160.8163 759061.6760 12.2238 12.1723 PRESSURE: 4249800 50.3085 83.0408 2.56917 83.0407 64.3766 216.611 2.56896 216.612 188.844 GPRESSURE: 4249800 73.3356 169.554 26.6075 30.666 186.635 240.659 183.885 184.82 146.977 PRESSAVG: 4249800 -29.8825 -34.1385 -21.405 -34.1385 27.5882 -0.736728 -21.405 -0.736655 0.629715 GPRESSAVG: 4249800 -30.2939 -33.2638 -21.1134 -35.8754 28.3868 -1.13505 -22.6285 -1.72309 0.709239 TIMING: 4249800 CPU: 13488.4, 0.00315361/step Wall: 13488.4, 0.00315361/step, 0.657178 hours remaining, 240.039062 MB of memory in use. ENERGY: 4249800 3967.1025 20543.8539 14476.5544 234.6396 -203587.9091 2635.8047 0.0000 0.0000 52036.6244 -109693.3296 299.0552 -161729.9541 -109344.8644 299.0770 101.1762 135.6494 757475.8776 -0.5548 -0.3993 PRESSURE: 4250000 19.2751 4.17711 130.081 4.17647 -123.011 -16.3656 130.081 -16.3651 181.152 GPRESSURE: 4250000 -0.538483 19.3815 103.226 -46.3733 -37.7462 16.9798 92.7177 -103.149 198.04 PRESSAVG: 4250000 -42.0468 10.8278 -2.14444 10.8278 25.4104 9.52396 -2.14442 9.52396 -1.77578 GPRESSAVG: 4250000 -41.4282 9.67194 -2.53979 13.5177 24.5261 8.99619 -2.93516 10.5099 -2.1403 TIMING: 4250000 CPU: 13489.1, 0.0031787/step Wall: 13489.1, 0.0031787/step, 0.662229 hours remaining, 240.039062 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: 4250000 4050.1503 20595.7720 14483.9565 231.9239 -203516.2608 2474.2746 0.0000 0.0000 51789.4275 -109890.7560 297.6346 -161680.1834 -109541.8413 299.0929 25.8054 53.2517 759214.4128 -6.1374 -6.3474 PRESSURE: 4250200 46.5811 170.011 96.6517 170.011 6.08079 61.4571 96.6523 61.4569 355.209 GPRESSURE: 4250200 47.872 136.921 111.25 103.037 96.3198 70.7002 91.323 80.4771 369.012 PRESSAVG: 4250200 0.477737 -33.0609 -20.8891 -33.0609 17.3522 -24.4682 -20.8891 -24.4682 -12.189 GPRESSAVG: 4250200 -0.616201 -31.9944 -21.2454 -34.6353 18.1118 -25.3377 -18.9857 -25.3064 -11.5373 TIMING: 4250200 CPU: 13489.7, 0.00314979/step Wall: 13489.7, 0.00314979/step, 0.656032 hours remaining, 240.039062 MB of memory in use. ENERGY: 4250200 3956.9703 20490.0932 14392.9123 247.9235 -203526.0811 2451.3889 0.0000 0.0000 51977.7369 -110009.0560 298.7168 -161986.7929 -109640.6890 298.6914 135.9570 171.0681 758937.0594 1.8803 1.9861 PRESSURE: 4250400 244.019 -108.894 95.7715 -108.893 93.195 314.682 95.7712 314.683 -75.5562 GPRESSURE: 4250400 265.567 -27.8154 190.922 13.3171 151.534 236.483 173.013 247.711 -66.7932 PRESSAVG: 4250400 16.8864 -26.5226 28.2252 -26.5226 -33.3617 30.5545 28.2251 30.5545 9.67835 GPRESSAVG: 4250400 17.0634 -27.336 29.1794 -24.5822 -34.6107 32.5212 25.1399 29.2707 9.66098 TIMING: 4250400 CPU: 13490.3, 0.00313108/step Wall: 13490.3, 0.00313108/step, 0.65196 hours remaining, 240.039062 MB of memory in use. ENERGY: 4250400 4023.8620 20577.3991 14480.9974 253.1935 -203515.2616 2443.1095 0.0000 0.0000 51920.2639 -109816.4363 298.3865 -161736.7001 -109462.2597 298.3888 87.2192 116.7691 760429.7184 -2.2657 -2.6288 PRESSURE: 4250600 -214.771 -131.272 104.876 -131.272 90.6018 -25.9603 104.877 -25.9607 -110.812 GPRESSURE: 4250600 -125.209 -254.58 98.0852 -221.639 104.369 -30.8402 216.068 1.15429 -116.396 PRESSAVG: 4250600 25.9593 -64.5112 38.4667 -64.5113 -4.82592 20.7974 38.4667 20.7975 12.8227 GPRESSAVG: 4250600 27.3603 -62.7693 39.142 -67.3241 -5.19491 21.0808 39.3363 21.2868 12.6027 TIMING: 4250600 CPU: 13490.9, 0.00313199/step Wall: 13490.9, 0.00313199/step, 0.651975 hours remaining, 240.039062 MB of memory in use. ENERGY: 4250600 3956.9331 20445.2618 14465.8149 231.7783 -203547.1347 2433.5555 0.0000 0.0000 52054.6778 -109959.1133 299.1589 -162013.7911 -109598.9288 298.7119 -78.3271 -45.7454 759167.9935 11.3187 11.5894 PRESSURE: 4250800 -304.624 189.293 -90.6716 189.293 198.488 77.0875 -90.6713 77.0885 15.693 GPRESSURE: 4250800 -170.891 158.742 -56.3019 48.0259 136.181 50.8336 46.5234 165.649 25.8678 PRESSAVG: 4250800 -40.5738 -56.9572 40.3657 -56.9572 32.1475 6.62847 40.3657 6.62847 19.5822 GPRESSAVG: 4250800 -40.5386 -57.5295 39.9244 -55.2322 32.5342 5.23278 41.8569 8.32148 19.4185 TIMING: 4250800 CPU: 13491.6, 0.00314933/step Wall: 13491.6, 0.00314933/step, 0.65541 hours remaining, 240.039062 MB of memory in use. ENERGY: 4250800 4005.7191 20626.3974 14442.8527 232.9624 -203733.7154 2451.7261 0.0000 0.0000 52013.3680 -109960.6897 298.9215 -161974.0577 -109599.6216 298.7444 -30.1476 -2.9476 759551.0153 3.7186 3.8047 PRESSURE: 4251000 103.284 -4.43492 125.8 -4.43565 -346.695 -58.4979 125.799 -58.4963 262.406 GPRESSURE: 4251000 115.335 -9.96837 191.321 -57.0249 -260.633 -112.297 124.84 -11.1422 223.792 PRESSAVG: 4251000 -12.5964 -58.9741 49.4877 -58.9741 29.55 -25.4973 49.4877 -25.4971 28.6339 GPRESSAVG: 4251000 -13.1796 -59.633 50.0877 -60.0064 29.982 -25.6523 49.9315 -26.0011 28.6804 TIMING: 4251000 CPU: 13492.2, 0.00316546/step Wall: 13492.2, 0.00316546/step, 0.658591 hours remaining, 240.039062 MB of memory in use. ENERGY: 4251000 3948.6196 20545.8391 14485.7785 263.7712 -203754.8546 2599.9679 0.0000 0.0000 52181.0990 -109729.7792 299.8855 -161910.8782 -109377.5627 298.9023 6.3314 26.1646 761849.4496 15.1959 15.1609 PRESSURE: 4251200 -106.697 240.93 -62.1088 240.93 143.089 26.2766 -62.1084 26.277 -99.3422 GPRESSURE: 4251200 -121.019 115.632 -179.479 265.033 178.921 52.9874 59.7922 -12.9538 -45.9128 PRESSAVG: 4251200 19.5168 -50.6301 -34.6943 -50.6301 -29.54 -13.3123 -34.6944 -13.3123 -13.212 GPRESSAVG: 4251200 17.9969 -50.8106 -36.0234 -52.0066 -28.4165 -12.9995 -35.0594 -13.9289 -12.9618 TIMING: 4251200 CPU: 13492.8, 0.00315198/step Wall: 13492.8, 0.00315198/step, 0.655611 hours remaining, 240.039062 MB of memory in use. ENERGY: 4251200 3967.4504 20448.3913 14475.6726 252.3660 -203979.8322 2843.1407 0.0000 0.0000 52311.9825 -109680.8288 300.6377 -161992.8113 -109328.8274 299.0175 -20.9837 3.9965 759785.1373 -7.7450 -7.7938 PRESSURE: 4251400 379.561 3.44112 243.105 3.44089 260.98 91.4118 243.106 91.4116 423.761 GPRESSURE: 4251400 408.971 71.3418 133.921 -88.1265 250.572 166.93 198.339 63.0542 476.675 PRESSAVG: 4251400 -49.2124 -63.0735 32.8906 -63.0735 31.8463 -13.8761 32.8906 -13.8762 52.7103 GPRESSAVG: 4251400 -46.6977 -63.4467 34.127 -60.0775 30.0524 -12.4119 31.7385 -14.5615 51.6024 TIMING: 4251400 CPU: 13493.5, 0.00314717/step Wall: 13493.5, 0.00314717/step, 0.654436 hours remaining, 240.039062 MB of memory in use. ENERGY: 4251400 3975.3384 20481.5942 14492.0931 233.7394 -203953.8172 2874.0873 0.0000 0.0000 52313.5500 -109583.4148 300.6467 -161896.9648 -109225.3035 299.1009 354.7673 378.7396 757187.4034 11.7814 11.6524 PRESSURE: 4251600 238.52 -253.384 216.88 -253.384 329.401 -279.161 216.881 -279.16 175.954 GPRESSURE: 4251600 281.109 -155.301 193.974 -255.092 334.292 -228.346 162.035 -249.748 212.392 PRESSAVG: 4251600 11.7899 -45.3687 8.22784 -45.3686 -30.7577 32.4691 8.22781 32.4691 -0.929488 GPRESSAVG: 4251600 10.2284 -43.1826 8.8181 -46.9639 -29.4512 30.8225 6.22034 33.3108 -0.139505 TIMING: 4251600 CPU: 13494.1, 0.00316031/step Wall: 13494.1, 0.00316031/step, 0.656993 hours remaining, 240.039062 MB of memory in use. ENERGY: 4251600 3984.0517 20628.9453 14470.5286 257.8522 -203202.1265 2593.9930 0.0000 0.0000 51662.7706 -109603.9851 296.9067 -161266.7557 -109243.5219 298.7717 247.9584 275.9307 759414.5578 -6.6324 -6.4541 PRESSURE: 4251800 -91.6232 -86.1152 73.7064 -86.1149 -96.802 -27.6356 73.7064 -27.636 4.51639 GPRESSURE: 4251800 55.3894 -102.519 126.079 -53.0181 -62.8031 -69.3179 65.9515 -84.8944 -79.0495 PRESSAVG: 4251800 54.9367 -36.7479 20.5857 -36.7478 -3.04203 -13.4332 20.5857 -13.4332 -6.6495 GPRESSAVG: 4251800 55.64 -36.7969 20.7021 -34.1953 -3.62988 -14.6403 21.4113 -13.2869 -6.82728 TIMING: 4251800 CPU: 13494.7, 0.00313694/step Wall: 13494.7, 0.00313694/step, 0.651961 hours remaining, 240.039062 MB of memory in use. ENERGY: 4251800 4023.6247 20372.6894 14470.5450 266.9190 -202995.3959 2349.1805 0.0000 0.0000 52138.0397 -109374.3976 299.6380 -161512.4373 -109016.6905 299.2387 -61.3030 -28.8211 759259.0189 15.0817 15.0610 PRESSURE: 4252000 -401.54 -46.8008 97.7809 -46.8006 -378.835 226.027 97.7803 226.028 -348.646 GPRESSURE: 4252000 -328.63 -3.54085 121.91 -97.9043 -361.878 220.112 33.1674 237.318 -359.698 PRESSAVG: 4252000 -9.98974 -6.26632 -12.4407 -6.26641 23.6839 6.54643 -12.4407 6.54649 -1.44116 GPRESSAVG: 4252000 -9.78273 -8.00015 -11.9671 -7.27111 23.4852 7.91558 -11.1522 2.86182 -1.99685 TIMING: 4252000 CPU: 13495.3, 0.00314775/step Wall: 13495.3, 0.00314775/step, 0.654031 hours remaining, 240.039062 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: 4252000 4068.5012 20463.4639 14511.9627 254.8865 -202795.9248 2087.2192 0.0000 0.0000 51976.4682 -109433.4230 298.7095 -161409.8912 -109070.2194 299.5424 -376.3403 -350.0688 762584.9037 4.0843 3.9019 PRESSURE: 4252200 -203.097 -131.46 -86.2048 -131.46 -270.205 -267.185 -86.2058 -267.184 -228.722 GPRESSURE: 4252200 -158.701 -144.556 -84.8684 -92.8192 -276.735 -246.649 -53.202 -148.169 -174.886 PRESSAVG: 4252200 6.91328 5.68757 24.7524 5.68753 8.60675 -9.76259 24.7524 -9.76267 -19.4607 GPRESSAVG: 4252200 5.84502 7.10617 23.4711 6.12361 8.74762 -10.0082 21.5471 -5.49024 -18.6392 TIMING: 4252200 CPU: 13496, 0.00312285/step Wall: 13496, 0.00312285/step, 0.648686 hours remaining, 240.039062 MB of memory in use. ENERGY: 4252200 3980.9839 20483.8633 14482.1835 235.7055 -202963.0146 2509.2921 0.0000 0.0000 51870.5468 -109400.4395 298.1007 -161270.9863 -109036.4981 298.9396 -234.0078 -203.4409 763232.6685 -1.3136 -1.3488 LDB: ============= START OF LOAD BALANCING ============== 13508.4 LDB: ============== END OF LOAD BALANCING =============== 13508.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13508.4 LDB: ============= START OF LOAD BALANCING ============== 13508.7 LDB: Largest compute 7070 load 0.033954 is 17.4% of average load 0.195392 LDB: Average compute 0.004405 is 2.3% of average load 0.195392 LDB: TIME 13508.7 LOAD: AVG 0.195392 MAX 0.213487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 13508.7 LOAD: AVG 0.195392 MAX 0.213487 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 13508.7 LOAD: AVG 0.195392 MAX 0.213487 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 13508.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13508.7 PRESSURE: 4252400 -300.192 22.8408 -7.77063 22.8406 18.3006 -102.571 -7.77021 -102.572 -38.1687 GPRESSURE: 4252400 -241.793 -53.763 18.2908 29.8221 -35.5431 -72.4666 44.8941 -178.673 56.5736 PRESSAVG: 4252400 9.64903 -27.0617 -14.1051 -27.0616 11.9868 -28.8829 -14.1051 -28.8829 -7.92239 GPRESSAVG: 4252400 11.2057 -27.7071 -13.9969 -26.5879 10.8993 -30.1926 -11.385 -29.2915 -8.6591 TIMING: 4252400 CPU: 13496.6, 0.00319298/step Wall: 13496.6, 0.00319298/step, 0.663075 hours remaining, 240.097656 MB of memory in use. ENERGY: 4252400 4003.0207 20388.6472 14488.4012 244.2006 -202909.9460 2291.3977 0.0000 0.0000 52070.6107 -109423.6678 299.2505 -161494.2786 -109063.0694 299.0496 -106.6866 -73.5875 760781.1426 4.5712 4.4820 PRESSURE: 4252600 -235.819 -61.2324 -87.7766 -61.2329 -128.909 266.454 -87.7762 266.454 38.225 GPRESSURE: 4252600 -173.152 -83.4394 -5.13363 28.918 -102.515 342.844 -153.742 182.315 19.231 PRESSAVG: 4252600 -60.9008 -20.9271 -1.6216 -20.9271 36.761 30.3049 -1.62161 30.3049 -20.8117 GPRESSAVG: 4252600 -61.8726 -20.3777 -0.545876 -21.8546 37.3804 33.3755 -1.32379 28.4748 -20.5325 TIMING: 4252600 CPU: 13497.2, 0.00313007/step Wall: 13497.2, 0.00313007/step, 0.649837 hours remaining, 240.097656 MB of memory in use. ENERGY: 4252600 3981.6905 20483.6484 14451.8208 279.5152 -202933.1217 2356.9204 0.0000 0.0000 51944.3281 -109435.1983 298.5248 -161379.5264 -109083.4475 299.2453 -108.8344 -85.4789 760786.6081 -14.9839 -15.0082 PRESSURE: 4252800 -131.329 -90.2133 23.5052 -90.2127 278.043 -178.393 23.5051 -178.393 -454.124 GPRESSURE: 4252800 -141.406 -103.292 -62.8925 -59.765 265.549 -88.7242 -24.9998 -152.972 -356.754 PRESSAVG: 4252800 -80.0138 -41.6342 -31.0532 -41.6342 30.5311 29.3117 -31.0532 29.3117 22.1369 GPRESSAVG: 4252800 -80.3822 -42.1249 -34.6748 -42.0028 29.7147 27.489 -29.7033 31.2866 23.505 TIMING: 4252800 CPU: 13497.9, 0.00314309/step Wall: 13497.9, 0.00314309/step, 0.652365 hours remaining, 240.097656 MB of memory in use. ENERGY: 4252800 3997.9790 20501.2838 14391.7213 266.3260 -203123.9047 2263.3598 0.0000 0.0000 52107.9585 -109595.2762 299.4652 -161703.2347 -109227.5410 299.2373 -102.4700 -77.5370 759486.2213 -9.1153 -9.0542 PRESSURE: 4253000 182.031 -88.9007 -146.736 -88.9001 25.7891 14.0606 -146.735 14.0597 -129.447 GPRESSURE: 4253000 173.583 -66.1333 -211.33 -184.453 155.057 10.5345 -5.29764 -16.982 -157.566 PRESSAVG: 4253000 -15.311 -5.81787 14.0152 -5.81782 48.6751 30.1344 14.0152 30.1343 14.0998 GPRESSAVG: 4253000 -14.9406 -4.98963 16.9617 -8.01688 49.7783 30.7339 12.9503 30.4924 12.6544 TIMING: 4253000 CPU: 13498.5, 0.00316975/step Wall: 13498.5, 0.00316975/step, 0.657722 hours remaining, 240.097656 MB of memory in use. ENERGY: 4253000 3965.3203 20456.5980 14507.9617 261.2646 -203204.4728 2513.4203 0.0000 0.0000 51935.0957 -109564.8123 298.4717 -161499.9079 -109206.2268 299.4343 26.1243 57.0247 759854.2209 15.8213 15.8307 PRESSURE: 4253200 -146.762 -110.348 49.2837 -110.348 84.2585 198.969 49.284 198.969 -464.566 GPRESSURE: 4253200 -38.2763 -64.5339 34.6615 -56.2317 33.791 219.973 56.0065 155.616 -432.445 PRESSAVG: 4253200 -12.0179 -50.9336 30.7005 -50.9336 12.3895 41.7078 30.7005 41.7079 2.84085 GPRESSAVG: 4253200 -11.3623 -49.7351 29.2708 -47.9719 11.6609 41.5116 30.0582 41.1521 3.05162 TIMING: 4253200 CPU: 13499.1, 0.00314388/step Wall: 13499.1, 0.00314388/step, 0.65218 hours remaining, 240.097656 MB of memory in use. ENERGY: 4253200 4137.1472 20518.6118 14515.5796 248.4062 -203496.8361 2459.5088 0.0000 0.0000 51866.7187 -109750.8637 298.0787 -161617.5824 -109389.0727 299.6651 -175.6898 -145.6435 759642.7995 1.0708 1.1167 PRESSURE: 4253400 -79.8382 284.984 -5.21521 284.985 229.358 -362.162 -5.21512 -362.163 309.294 GPRESSURE: 4253400 -21.6582 244.167 -54.2504 267.56 266.996 -389.944 -31.0834 -185.081 305.716 PRESSAVG: 4253400 -23.5699 -48.2833 -16.0666 -48.2834 50.226 -2.70612 -16.0666 -2.70615 1.89895 GPRESSAVG: 4253400 -23.2741 -51.9437 -16.6357 -47.0808 49.6655 -2.13717 -15.1967 -4.36462 2.37014 TIMING: 4253400 CPU: 13499.8, 0.00316075/step Wall: 13499.8, 0.00316075/step, 0.655504 hours remaining, 240.097656 MB of memory in use. ENERGY: 4253400 3992.8377 20397.5058 14485.8671 251.2915 -204021.6131 2972.4679 0.0000 0.0000 52280.0970 -109641.5462 300.4544 -161921.6432 -109273.8201 299.0814 152.9379 183.6847 759117.1472 9.5183 9.5872 PRESSURE: 4253600 -52.7152 80.1448 -27.0124 80.1451 -2.09859 105.104 -27.0119 105.105 -111.415 GPRESSURE: 4253600 -50.3149 171.011 53.2703 65.3717 34.7183 104.129 61.7734 161.909 -79.5996 PRESSAVG: 4253600 9.596 -15.3633 -40.7934 -15.3633 -10.3133 -12.2779 -40.7934 -12.2779 50.2083 GPRESSAVG: 4253600 8.84783 -12.2342 -38.7923 -18.8768 -8.59908 -13.0126 -40.1877 -11.5986 49.1818 TIMING: 4253600 CPU: 13500.4, 0.00315241/step Wall: 13500.4, 0.00315241/step, 0.653601 hours remaining, 240.097656 MB of memory in use. ENERGY: 4253600 4001.6184 20396.9815 14544.3659 251.8673 -203225.8267 2430.3111 0.0000 0.0000 51987.4423 -109613.2402 298.7725 -161600.6825 -109252.5233 299.6359 -55.4096 -31.7321 761874.8017 16.4970 16.4768 PRESSURE: 4253800 -14.0857 -25.073 88.6978 -25.072 78.5013 128.37 88.6982 128.369 -190.069 GPRESSURE: 4253800 75.3283 -201.007 45.704 -74.8553 83.8155 83.918 20.652 92.9577 -208.182 PRESSAVG: 4253800 -26.4074 59.9854 8.32738 59.9854 9.87971 -1.86018 8.32741 -1.86017 -10.0386 GPRESSAVG: 4253800 -25.5594 58.6778 6.98172 61.9116 9.07747 -3.44615 9.27463 -1.51543 -9.38016 TIMING: 4253800 CPU: 13501, 0.00314126/step Wall: 13501, 0.00314126/step, 0.651113 hours remaining, 240.097656 MB of memory in use. ENERGY: 4253800 4056.2788 20365.5270 14492.6928 248.2794 -203689.5759 2559.4223 0.0000 0.0000 52232.8312 -109734.5441 300.1828 -161967.3754 -109376.0947 299.4712 -41.8844 -16.3459 759631.6695 -8.8554 -8.6207 PRESSURE: 4254000 100.933 143.87 -170.901 143.87 -62.717 142.739 -170.901 142.739 -135.451 GPRESSURE: 4254000 67.6494 226.042 -186.3 92.3874 64.2078 31.693 -117.485 154.821 -156.483 PRESSAVG: 4254000 29.9397 2.90168 7.17906 2.90169 21.7747 -29.6881 7.17906 -29.6881 17.3442 GPRESSAVG: 4254000 30.1128 5.52874 8.24708 1.14444 21.0577 -27.0919 3.95969 -29.111 17.9254 TIMING: 4254000 CPU: 13501.6, 0.00315357/step Wall: 13501.6, 0.00315357/step, 0.653491 hours remaining, 240.097656 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: 4254000 3855.2178 20528.4505 14457.7424 232.5242 -203443.3194 2348.9642 0.0000 0.0000 51979.4713 -110040.9490 298.7267 -162020.4203 -109675.2526 298.8825 -32.4116 -8.2087 758961.9673 23.0196 23.0320 PRESSURE: 4254200 460.79 129.651 170.308 129.651 194.244 82.6271 170.308 82.6275 151.563 GPRESSURE: 4254200 441.466 41.2304 59.3538 160.239 280.713 -22.196 129.239 244.686 198.933 PRESSAVG: 4254200 -41.0093 64.9362 -11.5725 64.9361 82.9377 -18.551 -11.5726 -18.551 -3.85592 GPRESSAVG: 4254200 -42.1283 63.216 -12.3062 67.1854 85.416 -19.471 -11.911 -19.2738 -5.41663 TIMING: 4254200 CPU: 13502.3, 0.00314661/step Wall: 13502.3, 0.00314661/step, 0.651873 hours remaining, 240.097656 MB of memory in use. ENERGY: 4254200 3910.8180 20494.7431 14525.1306 247.9270 -203626.2026 2690.8148 0.0000 0.0000 51878.0716 -109878.6975 298.1440 -161756.7691 -109516.7412 298.4084 268.8658 307.0375 758101.7610 12.6908 12.6237 PRESSURE: 4254400 -73.3682 -290.427 39.5597 -290.427 -120.428 84.7984 39.5594 84.7977 75.8616 GPRESSURE: 4254400 -15.4816 -219.271 5.33604 -296.492 -63.4611 72.399 119.001 96.6184 44.2946 PRESSAVG: 4254400 15.8577 19.9663 7.88833 19.9662 2.99413 -29.27 7.88829 -29.27 -1.20191 GPRESSAVG: 4254400 16.6157 20.2865 8.20397 19.5974 1.82874 -30.0697 8.77144 -28.2643 -1.06328 TIMING: 4254400 CPU: 13502.9, 0.00314916/step Wall: 13502.9, 0.00314916/step, 0.652225 hours remaining, 240.097656 MB of memory in use. ENERGY: 4254400 3953.4547 20500.7305 14504.0108 268.8326 -203251.6798 2425.1147 0.0000 0.0000 51900.7767 -109698.7598 298.2745 -161599.5364 -109335.5931 299.0218 -39.3116 -11.5494 761367.6207 5.8833 5.7937 PRESSURE: 4254600 -63.6587 51.5525 286.902 51.552 -361.013 -119.907 286.902 -119.907 -210.356 GPRESSURE: 4254600 -76.6716 121.227 288.898 -11.8768 -314.869 -142.978 222.339 -198.975 -165.523 PRESSAVG: 4254600 -23.4542 13.203 20.809 13.2029 31.5219 -1.06716 20.8089 -1.06718 -0.286957 GPRESSAVG: 4254600 -24.0056 12.661 21.4686 11.1736 30.4622 -0.119752 21.9513 -2.20477 0.984424 TIMING: 4254600 CPU: 13503.5, 0.00314872/step Wall: 13503.5, 0.00314872/step, 0.65196 hours remaining, 240.097656 MB of memory in use. ENERGY: 4254600 4016.2232 20512.2416 14486.5838 240.7543 -203182.7325 2170.7361 0.0000 0.0000 52236.1761 -109520.0172 300.2020 -161756.1933 -109159.4026 299.1095 -211.6757 -185.6880 760989.7683 2.5936 2.4803 PRESSURE: 4254800 -331.702 6.19219 79.1918 6.19264 58.8098 289.173 79.1925 289.173 -167.932 GPRESSURE: 4254800 -275.013 -91.0374 67.4453 -71.3674 109.401 304.804 -16.4472 258.735 -171.425 PRESSAVG: 4254800 34.8969 -21.2813 -33.5289 -21.2814 5.84929 21.0447 -33.5289 21.0447 -24.6399 GPRESSAVG: 4254800 34.0199 -22.4394 -33.031 -19.7575 7.0482 22.349 -34.7555 19.6281 -24.3406 TIMING: 4254800 CPU: 13504.2, 0.00315842/step Wall: 13504.2, 0.00315842/step, 0.653794 hours remaining, 240.097656 MB of memory in use. ENERGY: 4254800 3987.5741 20500.9768 14493.3751 233.7169 -203052.9248 2129.9388 0.0000 0.0000 52345.5602 -109361.7830 300.8307 -161707.3432 -108991.9781 300.2200 -146.9415 -112.3455 760496.6708 5.3688 5.5758 PRESSURE: 4255000 -189.302 -35.3458 -199.36 -35.3468 196.969 -74.999 -199.359 -74.9994 621.782 GPRESSURE: 4255000 -71.6748 -121.211 -85.8782 42.5132 272.848 -80.3534 -73.3759 -68.9941 515.186 PRESSAVG: 4255000 8.97441 62.9908 -7.28669 62.9909 37.7545 34.9957 -7.28665 34.9956 -2.23861 GPRESSAVG: 4255000 10.6868 64.1753 -8.89205 65.6782 36.8986 32.0444 -8.40194 37.0529 -3.04077 TIMING: 4255000 CPU: 13504.8, 0.0031376/step Wall: 13504.8, 0.0031376/step, 0.649308 hours remaining, 240.097656 MB of memory in use. ENERGY: 4255000 3938.9010 20476.6644 14512.2972 242.0497 -203483.8936 2797.2603 0.0000 0.0000 52066.6039 -109450.1170 299.2275 -161516.7209 -109083.0619 299.3208 209.8164 238.7862 759752.7944 14.8301 14.8482 PRESSURE: 4255200 -92.1617 -42.3591 67.3445 -42.3581 16.5817 -68.7894 67.3446 -68.7882 -367.358 GPRESSURE: 4255200 -88.9786 -22.4238 70.9492 4.46614 -19.2256 13.7091 16.444 163.173 -247.075 PRESSAVG: 4255200 8.08283 22.6462 17.4081 22.6461 -19.124 -8.91515 17.4081 -8.91521 10.9911 GPRESSAVG: 4255200 6.51051 21.5602 16.4288 18.825 -18.3377 -6.69679 18.1547 -9.69805 10.9037 TIMING: 4255200 CPU: 13505.4, 0.0031389/step Wall: 13505.4, 0.0031389/step, 0.649404 hours remaining, 240.097656 MB of memory in use. ENERGY: 4255200 4060.5750 20544.8286 14494.1635 243.1735 -203197.1464 2419.8889 0.0000 0.0000 52238.8454 -109195.6715 300.2174 -161434.5169 -108835.8814 299.9072 -147.6460 -118.4263 761634.4456 -0.0167 -0.3078 PRESSURE: 4255400 192.438 317.459 -70.999 317.459 -24.1469 -85.8331 -70.9993 -85.8334 -117.809 GPRESSURE: 4255400 193.398 261.853 -122.356 206.393 32.5563 -89.3286 -102.961 -78.3366 -76.4386 PRESSAVG: 4255400 27.6378 30.1074 7.57653 30.1074 9.92825 2.17634 7.57654 2.17629 8.6647 GPRESSAVG: 4255400 27.3093 31.9918 7.77331 29.7822 9.04968 0.586421 7.25458 2.71381 9.52959 TIMING: 4255400 CPU: 13506.1, 0.00314833/step Wall: 13506.1, 0.00314833/step, 0.65118 hours remaining, 240.097656 MB of memory in use. ENERGY: 4255400 4061.0642 20595.9470 14519.3768 251.8571 -203992.8482 3007.7523 0.0000 0.0000 52103.7242 -109453.1266 299.4408 -161556.8507 -109090.9510 300.0176 16.8273 49.8386 762552.2786 15.4102 15.2962 PRESSURE: 4255600 -347.227 19.3373 99.5295 19.3372 -226.172 154.746 99.5287 154.746 -184.657 GPRESSURE: 4255600 -386.966 -45.2051 58.4392 -19.6014 -158.617 138.18 213.732 128.368 -146.38 PRESSAVG: 4255600 11.4602 1.57832 -8.02464 1.57834 4.07632 -10.3054 -8.02464 -10.3053 -20.952 GPRESSAVG: 4255600 10.8469 1.17307 -7.46229 1.84636 4.99151 -9.89484 -8.13585 -12.843 -21.9344 TIMING: 4255600 CPU: 13506.7, 0.0031633/step Wall: 13506.7, 0.0031633/step, 0.654099 hours remaining, 240.097656 MB of memory in use. ENERGY: 4255600 3976.6358 20556.1429 14523.4087 235.5367 -203447.7130 2501.8252 0.0000 0.0000 52148.3938 -109505.7700 299.6975 -161654.1638 -109139.7611 299.3923 -252.6853 -230.6544 763623.9142 -1.8052 -2.0320 PRESSURE: 4255800 -138.078 135.164 -20.1734 135.164 226.384 90.9514 -20.1723 90.9529 468.04 GPRESSURE: 4255800 -30.8734 222.434 -90.7181 44.4206 267.797 103.335 125.32 27.0518 413.453 PRESSAVG: 4255800 -43.7905 53.6441 19.2036 53.6441 55.9548 -12.5203 19.2036 -12.5203 0.0603201 GPRESSAVG: 4255800 -43.6724 50.9649 18.7614 54.3239 55.9742 -11.5903 19.3877 -12.1021 0.768617 TIMING: 4255800 CPU: 13507.3, 0.00315214/step Wall: 13507.3, 0.00315214/step, 0.651618 hours remaining, 240.097656 MB of memory in use. ENERGY: 4255800 4011.7801 20600.9179 14561.2206 259.6152 -203758.2978 2766.5821 0.0000 0.0000 51975.5662 -109582.6157 298.7043 -161558.1818 -109219.9755 299.5820 185.4488 216.7924 760424.8909 4.0749 4.3568 PRESSURE: 4256000 -167.409 -124.174 -94.0715 -124.174 44.013 154.11 -94.0717 154.11 250.662 GPRESSURE: 4256000 15.667 135.56 6.30134 -101.56 -16.306 221.697 -11.8974 254.427 211.821 PRESSAVG: 4256000 3.06781 -0.207526 -9.77242 -0.207551 -20.2635 6.6144 -9.77243 6.61434 -13.3928 GPRESSAVG: 4256000 4.39911 1.93284 -9.56309 1.25796 -20.7389 6.14535 -8.81204 7.51122 -13.8616 TIMING: 4256000 CPU: 13507.9, 0.00314875/step Wall: 13507.9, 0.00314875/step, 0.650742 hours remaining, 240.097656 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: 4256000 3969.7425 20429.4521 14535.5907 237.4447 -203982.7198 2728.7875 0.0000 0.0000 52313.9920 -109767.7103 300.6492 -162081.7022 -109403.1087 298.9099 42.4221 70.3939 761224.5926 -10.1961 -10.0671 PRESSURE: 4256200 217.202 -72.4373 109.356 -72.4373 194.349 -7.08374 109.357 -7.08386 183.838 GPRESSURE: 4256200 106.035 -68.314 76.2056 -67.7594 325.985 -52.9077 91.4373 -7.061 227.153 PRESSAVG: 4256200 10.4826 -8.64502 -7.40519 -8.645 -32.3937 29.6328 -7.40516 29.6328 -11.7949 GPRESSAVG: 4256200 8.84466 -7.72727 -7.41837 -10.5945 -31.2321 28.4649 -6.82539 31.108 -11.424 TIMING: 4256200 CPU: 13508.6, 0.00316162/step Wall: 13508.6, 0.00316162/step, 0.653226 hours remaining, 240.097656 MB of memory in use. ENERGY: 4256200 4042.2515 20444.5068 14575.7581 258.7299 -204197.0213 3063.8848 0.0000 0.0000 51988.9617 -109822.9284 298.7813 -161811.8902 -109457.5764 298.7868 198.4632 219.7243 759953.8393 -11.2353 -11.2705 LDB: ============= START OF LOAD BALANCING ============== 13521 LDB: ============== END OF LOAD BALANCING =============== 13521 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521 LDB: ============= START OF LOAD BALANCING ============== 13521.4 LDB: Largest compute 7031 load 0.035617 is 18.2% of average load 0.195425 LDB: Average compute 0.004399 is 2.3% of average load 0.195425 LDB: TIME 13521.4 LOAD: AVG 0.195425 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13521.4 LOAD: AVG 0.195425 MAX 0.214367 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 13521.4 LOAD: AVG 0.195425 MAX 0.214367 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 13521.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521.4 PRESSURE: 4256400 -141.868 -187.386 -63.6719 -187.386 88.4892 -14.7661 -63.6727 -14.7655 -47.9026 GPRESSURE: 4256400 -70.0619 -278.869 38.5742 -173.187 107.417 -48.1437 -75.3528 -15.4563 -36.2519 PRESSAVG: 4256400 -23.4023 15.2154 1.59469 15.2154 -23.7448 0.925047 1.59473 0.925053 -8.49344 GPRESSAVG: 4256400 -22.7456 13.261 2.0567 16.2228 -23.9353 1.64162 -0.171797 0.2597 -8.86465 TIMING: 4256400 CPU: 13509.2, 0.00323803/step Wall: 13509.2, 0.00323803/step, 0.668832 hours remaining, 241.320312 MB of memory in use. ENERGY: 4256400 3978.2292 20564.0012 14504.2154 234.3437 -203645.5589 2496.2400 0.0000 0.0000 51865.3124 -110003.2169 298.0707 -161868.5293 -109635.0875 298.7263 -33.7603 0.3677 760434.5412 -18.5468 -18.5152 PRESSURE: 4256600 -88.1923 135.442 -112.95 135.442 -65.6563 0.355619 -112.95 0.355731 45.6476 GPRESSURE: 4256600 -82.3198 179.134 -133.462 124.516 11.4065 -2.78273 -33.5671 3.66143 42.8152 PRESSAVG: 4256600 17.0603 16.9114 -5.60392 16.9115 -17.6982 -34.1233 -5.60389 -34.1233 -10.3007 GPRESSAVG: 4256600 17.0897 16.1341 -7.10778 17.0894 -17.7483 -32.8289 -4.14575 -33.1892 -9.44067 TIMING: 4256600 CPU: 13509.9, 0.00317552/step Wall: 13509.9, 0.00317552/step, 0.655745 hours remaining, 241.320312 MB of memory in use. ENERGY: 4256600 3950.6285 20533.1391 14527.1119 253.8346 -203875.4483 2829.3924 0.0000 0.0000 51859.2517 -109922.0901 298.0358 -161781.3418 -109566.3763 298.7710 -36.0670 -9.3660 760085.2104 -3.6462 -3.3664 PRESSURE: 4256800 62.1946 6.01651 -29.7929 6.01628 316.137 276.388 -29.793 276.389 290.359 GPRESSURE: 4256800 133.802 -59.5086 -57.2774 -18.2686 313.547 281.588 3.94967 261.569 310.622 PRESSAVG: 4256800 6.06086 8.12351 -16.1166 8.12352 -8.5294 4.99382 -16.1166 4.99384 18.8917 GPRESSAVG: 4256800 6.01635 12.28 -13.8855 8.2602 -7.5268 2.48956 -18.5366 3.99637 17.6609 TIMING: 4256800 CPU: 13510.5, 0.0032114/step Wall: 13510.5, 0.0032114/step, 0.662976 hours remaining, 241.320312 MB of memory in use. ENERGY: 4256800 4021.8514 20602.0071 14609.3156 246.0051 -203257.0134 2448.8678 0.0000 0.0000 51678.4338 -109650.5324 296.9967 -161328.9663 -109299.8167 298.6468 222.8970 252.6571 760355.0452 5.4744 5.3835 PRESSURE: 4257000 -260.046 -248.24 43.0979 -248.24 30.0362 46.3006 43.0985 46.3007 -108.81 GPRESSURE: 4257000 -145.344 -267.073 -28.5618 -270.802 33.4367 71.4459 69.8048 -54.7111 -124.787 PRESSAVG: 4257000 -10.5299 29.5959 7.73524 29.5959 -46.5811 10.3393 7.73517 10.3393 -20.3673 GPRESSAVG: 4257000 -10.7194 28.4977 6.61404 28.717 -47.1305 11.9804 8.87387 9.172 -19.2569 TIMING: 4257000 CPU: 13511.1, 0.00318578/step Wall: 13511.1, 0.00318578/step, 0.65751 hours remaining, 241.320312 MB of memory in use. ENERGY: 4257000 4025.1280 20412.3177 14452.7109 251.5580 -203667.5215 2627.4250 0.0000 0.0000 52153.0629 -109745.3190 299.7244 -161898.3819 -109390.8382 298.5947 -112.9401 -78.8980 760349.1029 -25.8261 -25.7023 PRESSURE: 4257200 6.52383 107.889 -204.237 107.89 231.407 19.1104 -204.237 19.1111 168.644 GPRESSURE: 4257200 124.229 76.4386 -149.296 173.621 207.851 53.1818 -155.656 -34.328 162.699 PRESSAVG: 4257200 -0.723073 -17.6793 -2.38149 -17.6794 15.6707 50.0585 -2.38148 50.0585 -11.4467 GPRESSAVG: 4257200 1.08713 -17.8912 -2.48195 -17.0854 15.5083 49.855 -0.596605 50.3939 -12.529 TIMING: 4257200 CPU: 13511.8, 0.00319181/step Wall: 13511.8, 0.00319181/step, 0.658577 hours remaining, 241.320312 MB of memory in use. ENERGY: 4257200 3879.7803 20557.4445 14472.8926 245.5432 -203413.5434 2419.3659 0.0000 0.0000 51945.7655 -109892.7514 298.5330 -161838.5169 -109529.2211 298.7637 135.5252 164.9268 760436.8363 1.1670 1.3555 PRESSURE: 4257400 -230.414 -157.226 180.338 -157.226 -334.029 358.02 180.338 358.019 194.741 GPRESSURE: 4257400 -323.017 -182.634 158.916 -78.8362 -168.143 285.384 133.404 355.798 224.746 PRESSAVG: 4257400 8.29591 19.0592 32.4155 19.0591 -41.7355 -2.27334 32.4155 -2.27329 -6.80686 GPRESSAVG: 4257400 7.50147 19.8973 31.3678 20.059 -41.3211 -1.78786 30.6401 -1.67202 -6.47363 TIMING: 4257400 CPU: 13512.4, 0.00319518/step Wall: 13512.4, 0.00319518/step, 0.659094 hours remaining, 241.320312 MB of memory in use. ENERGY: 4257400 4002.1284 20550.2349 14584.6777 249.5146 -203749.0809 2562.9157 0.0000 0.0000 51968.3702 -109831.2393 298.6629 -161799.6095 -109473.8608 298.4896 -123.2337 -88.8049 758230.0174 -13.4155 -13.4311 PRESSURE: 4257600 -28.8881 19.2122 -93.0385 19.2129 12.986 56.4698 -93.0378 56.4698 -3.81489 GPRESSURE: 4257600 1.12465 49.4127 -69.2143 -14.2859 64.7546 -115.85 22.5894 64.171 -11.8598 PRESSAVG: 4257600 33.4496 -91.1428 31.0377 -91.1428 -20.5598 -11.3214 31.0377 -11.3213 -7.53314 GPRESSAVG: 4257600 32.7166 -92.865 31.9667 -90.596 -20.7641 -12.7749 34.4019 -12.1228 -7.05223 TIMING: 4257600 CPU: 13513, 0.00313775/step Wall: 13513, 0.00313775/step, 0.647073 hours remaining, 241.320312 MB of memory in use. ENERGY: 4257600 3932.3781 20524.4546 14505.7320 235.0741 -203466.2772 2468.9221 0.0000 0.0000 52095.5419 -109704.1746 299.3938 -161799.7165 -109339.3242 299.0543 -6.5724 18.0065 759281.5671 1.7856 1.6334 PRESSURE: 4257800 108.071 -425.155 129.93 -425.155 -38.1132 -8.83127 129.929 -8.83091 164.7 GPRESSURE: 4257800 151.157 -316.878 165.071 -392.022 -3.27529 -61.4288 49.6472 70.2431 169.517 PRESSAVG: 4257800 82.7142 -71.3926 36.8997 -71.3926 -27.566 -57.8122 36.8997 -57.8121 22.069 GPRESSAVG: 4257800 83.1839 -69.4028 38.8432 -73.65 -25.827 -57.6239 33.9503 -56.5431 20.3354 TIMING: 4257800 CPU: 13513.7, 0.00314572/step Wall: 13513.7, 0.00314572/step, 0.648543 hours remaining, 241.320312 MB of memory in use. ENERGY: 4257800 3993.7510 20512.3940 14446.6560 249.3151 -203875.8518 2736.9782 0.0000 0.0000 52513.1361 -109423.6212 301.7937 -161936.7574 -109051.7385 299.8839 78.2192 105.7994 760280.0873 25.7391 25.8974 PRESSURE: 4258000 52.57 -29.6539 43.0729 -29.6541 -39.6933 -182.209 43.0725 -182.209 440.176 GPRESSURE: 4258000 150.808 -41.6405 106.239 116.572 -55.2699 -140.053 -57.9713 -205.499 439.254 PRESSAVG: 4258000 59.8752 -34.1277 19.3679 -34.1277 -63.9338 33.9076 19.3678 33.9076 -2.46504 GPRESSAVG: 4258000 60.0383 -35.0209 17.3948 -32.445 -63.9857 34.0315 19.1056 36.4462 -2.28011 TIMING: 4258000 CPU: 13514.3, 0.00315775/step Wall: 13514.3, 0.00315775/step, 0.650846 hours remaining, 241.320312 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: 4258000 4005.1475 20513.4794 14537.8391 244.8429 -203573.9183 2566.0529 0.0000 0.0000 52250.7103 -109455.8461 300.2856 -161706.5564 -109103.9165 299.4844 151.0175 178.2641 759183.6354 -2.1746 -2.0758 PRESSURE: 4258200 308.203 -48.6132 -186.756 -48.6137 141.997 -183.874 -186.756 -183.874 483.589 GPRESSURE: 4258200 390.931 -1.23856 -66.6483 -61.3593 227.639 -177.168 -27.2535 -132.211 406.704 PRESSAVG: 4258200 34.861 11.8877 40.1744 11.8877 -46.671 -35.4679 40.1744 -35.4679 11.893 GPRESSAVG: 4258200 35.4411 12.2126 40.9042 9.20326 -48.4452 -33.9566 40.2216 -39.1201 12.5147 TIMING: 4258200 CPU: 13514.9, 0.00312513/step Wall: 13514.9, 0.00312514/step, 0.643951 hours remaining, 241.320312 MB of memory in use. ENERGY: 4258200 3909.5444 20727.9417 14442.9221 228.7439 -203532.8380 2763.0089 0.0000 0.0000 51978.3492 -109482.3279 298.7203 -161460.6771 -109130.1136 299.5162 311.2631 341.7577 757905.3582 0.0276 -0.1631 PRESSURE: 4258400 -356.337 -84.4175 174.376 -84.4176 -145.251 229.702 174.376 229.702 -198.896 GPRESSURE: 4258400 -327.701 10.6489 100.374 31.3616 -121.433 108.18 212.608 271.316 -156.938 PRESSAVG: 4258400 35.8161 -45.683 -10.7304 -45.6831 -14.613 7.26459 -10.7303 7.26466 2.10092 GPRESSAVG: 4258400 35.7201 -46.0245 -10.2672 -44.7518 -15.2485 6.24007 -9.60345 8.02546 2.42951 TIMING: 4258400 CPU: 13515.6, 0.00314444/step Wall: 13515.6, 0.00314444/step, 0.647755 hours remaining, 241.320312 MB of memory in use. ENERGY: 4258400 4008.5925 20394.7475 14466.2656 252.3632 -203001.8898 2299.8967 0.0000 0.0000 52070.8880 -109509.1363 299.2521 -161580.0243 -109143.8632 299.4285 -233.4947 -202.0241 760419.9624 7.7680 7.6337 PRESSURE: 4258600 141.211 -34.6308 216.457 -34.6313 123.402 -228.645 216.456 -228.646 -179.921 GPRESSURE: 4258600 231.49 -26.147 252.149 -48.9904 180.042 -190.912 136.342 -191.308 -230.626 PRESSAVG: 4258600 37.0563 -79.8224 104.804 -79.8224 3.63328 -21.6465 104.804 -21.6465 17.5296 GPRESSAVG: 4258600 37.0028 -79.9654 104.709 -77.1715 3.59647 -23.3325 104.536 -22.7463 17.2447 TIMING: 4258600 CPU: 13516.2, 0.00313847/step Wall: 13516.2, 0.00313847/step, 0.64635 hours remaining, 241.320312 MB of memory in use. ENERGY: 4258600 4074.0408 20513.1595 14469.4821 240.0496 -203205.8109 2329.6215 0.0000 0.0000 52125.4972 -109453.9601 299.5659 -161579.4573 -109085.0255 299.1906 28.2305 60.3021 759986.7625 19.4064 19.2813 PRESSURE: 4258800 100.845 -86.6517 -49.78 -86.6521 32.769 67.5017 -49.7802 67.5013 149.523 GPRESSURE: 4258800 46.9402 -62.5666 -80.4399 -162.272 135.341 191.499 -102.078 40.847 180.415 PRESSAVG: 4258800 21.7372 -33.8777 41.1321 -33.8776 -25.1495 -18.2505 41.1321 -18.2505 3.03966 GPRESSAVG: 4258800 21.9426 -32.2513 41.4378 -35.4489 -25.1887 -17.3704 39.5948 -17.1971 3.44814 TIMING: 4258800 CPU: 13516.8, 0.00313795/step Wall: 13516.8, 0.00313795/step, 0.64607 hours remaining, 241.320312 MB of memory in use. ENERGY: 4258800 4033.1361 20515.6059 14384.1933 253.7729 -203916.5740 2806.2011 0.0000 0.0000 52108.3929 -109815.2719 299.4677 -161923.6648 -109449.2466 299.3614 94.3791 120.8988 759827.9973 -0.1242 0.0673 PRESSURE: 4259000 164.613 -106.061 25.5708 -106.061 -296.903 2.02644 25.5707 2.02662 202.744 GPRESSURE: 4259000 195.804 -170.902 50.9581 -206.443 -222.456 39.5255 23.604 -38.8671 191.007 PRESSAVG: 4259000 57.7375 -64.7198 -22.347 -64.7198 -31.1976 -16.1718 -22.347 -16.1718 -16.9171 GPRESSAVG: 4259000 56.9176 -67.9116 -23.0591 -63.7111 -29.733 -16.2747 -22.5817 -16.7137 -17.476 TIMING: 4259000 CPU: 13517.4, 0.0031488/step Wall: 13517.4, 0.0031488/step, 0.648129 hours remaining, 241.320312 MB of memory in use. ENERGY: 4259000 4113.7047 20461.7665 14380.3494 250.3370 -203668.5813 2692.9567 0.0000 0.0000 51971.9516 -109797.5155 298.6835 -161769.4670 -109432.0436 298.4080 23.4846 54.7849 759369.3086 3.2076 3.2362 PRESSURE: 4259200 114.64 -27.1705 -264.998 -27.1714 -165.238 -77.3309 -264.997 -77.33 84.0427 GPRESSURE: 4259200 97.924 -42.4274 -232.02 -101.162 -112.124 -53.0765 -182.704 -105.739 137.275 PRESSAVG: 4259200 36.9422 -45.9482 12.0637 -45.9482 -48.8227 9.71071 12.0637 9.71076 -8.32149 GPRESSAVG: 4259200 37.4859 -43.5973 12.7215 -46.845 -49.2519 10.9549 13.1303 9.71128 -8.38828 TIMING: 4259200 CPU: 13518.1, 0.00315649/step Wall: 13518.1, 0.00315649/step, 0.649536 hours remaining, 241.320312 MB of memory in use. ENERGY: 4259200 3910.7955 20521.0431 14456.0329 264.9797 -202968.2377 2216.4282 0.0000 0.0000 51894.6166 -109704.3418 298.2391 -161598.9584 -109330.5668 298.5284 11.1483 41.0251 761454.5842 -6.7340 -6.7181 PRESSURE: 4259400 -233.107 283.921 141.29 283.92 35.2448 -141.72 141.29 -141.719 -501.726 GPRESSURE: 4259400 -36.201 267.212 151.936 307.656 -50.3415 -115.244 53.3178 -145.652 -514.352 PRESSAVG: 4259400 -42.2997 13.3707 5.88484 13.3707 -1.93449 45.2613 5.88485 45.2614 -3.02832 GPRESSAVG: 4259400 -42.1543 12.6811 5.74609 12.9985 -2.47451 45.3407 6.85441 45.0411 -2.82579 TIMING: 4259400 CPU: 13518.7, 0.00313799/step Wall: 13518.7, 0.00313799/step, 0.645555 hours remaining, 241.320312 MB of memory in use. ENERGY: 4259400 3939.0006 20503.8749 14443.2308 245.5641 -203390.5020 2502.8603 0.0000 0.0000 52118.0904 -109637.8808 299.5234 -161755.9712 -109264.2873 299.2009 -233.1958 -200.2980 761228.3420 -15.7542 -15.8182 PRESSURE: 4259600 116.841 -48.1877 216.339 -48.1876 -14.2039 197.821 216.338 197.821 287.725 GPRESSURE: 4259600 187.441 5.61789 301.81 -117.735 -21.5066 104.549 114 100.646 275.728 PRESSAVG: 4259600 0.81961 -21.5378 44.9375 -21.5377 -43.8133 1.6843 44.9375 1.68424 -13.8444 GPRESSAVG: 4259600 2.21292 -21.3007 43.1302 -21.7801 -44.6987 1.29504 45.9685 1.81592 -14.6627 TIMING: 4259600 CPU: 13519.3, 0.00315093/step Wall: 13519.3, 0.00315093/step, 0.648041 hours remaining, 241.320312 MB of memory in use. ENERGY: 4259600 4027.7337 20670.9301 14486.1747 255.5019 -203712.0606 2759.6533 0.0000 0.0000 51907.8763 -109604.1906 298.3153 -161512.0669 -109250.7031 299.6805 130.1207 147.2207 759883.8331 -18.9460 -19.0495 PRESSURE: 4259800 23.4463 110.891 -24.6638 110.892 197.502 84.2585 -24.6634 84.2577 -39.2023 GPRESSURE: 4259800 50.0011 57.0834 -100.861 106.233 205.207 165.134 -68.8872 57.6843 16.8595 PRESSAVG: 4259800 34.766 -5.62113 10.1606 -5.62113 -42.1238 42.0994 10.1607 42.0994 -7.41821 GPRESSAVG: 4259800 32.5449 -6.42184 11.0865 -5.68175 -41.4642 43.5448 8.68803 40.4942 -5.70206 TIMING: 4259800 CPU: 13520, 0.00313597/step Wall: 13520, 0.00313597/step, 0.644791 hours remaining, 241.320312 MB of memory in use. ENERGY: 4259800 4033.1043 20595.6202 14591.9693 249.3088 -203531.9083 2483.8885 0.0000 0.0000 52181.5899 -109396.4273 299.8883 -161578.0172 -109028.6847 299.3913 60.5819 90.6894 759657.1182 -4.9253 -4.8738 PRESSURE: 4260000 131.674 -25.3629 -58.297 -25.3632 472.936 -149.809 -58.297 -149.809 100.114 GPRESSURE: 4260000 94.1739 -56.3307 -43.2709 16.2325 557.211 -112.918 24.4005 -68.8743 142.075 PRESSAVG: 4260000 19.2582 6.50902 5.54937 6.50905 24.3416 -19.8843 5.54933 -19.8843 -20.2251 GPRESSAVG: 4260000 19.082 6.29181 7.00594 5.3935 24.9535 -20.4135 5.41314 -18.5224 -20.9442 TIMING: 4260000 CPU: 13520.6, 0.00314623/step Wall: 13520.6, 0.00314623/step, 0.646725 hours remaining, 241.320312 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: 4260000 3984.8324 20461.8534 14559.3532 228.2585 -203767.3648 2735.3438 0.0000 0.0000 52239.0617 -109558.6617 300.2186 -161797.7234 -109196.9230 299.7224 234.9081 264.4865 760520.9510 7.7916 7.6971 PRESSURE: 4260200 -57.7909 184.459 139.245 184.458 -317.664 -4.03411 139.246 -4.03386 -278.336 GPRESSURE: 4260200 -22.8136 129.461 129.23 221.657 -276.323 -27.289 181.446 -90.7752 -265.399 PRESSAVG: 4260200 2.995 51.3688 7.19533 51.3689 11.7506 14.993 7.19525 14.993 -17.6906 GPRESSAVG: 4260200 2.72435 53.3292 6.53267 52.8326 11.8834 14.4739 6.7573 13.0518 -17.4257 TIMING: 4260200 CPU: 13521.2, 0.00314554/step Wall: 13521.2, 0.00314554/step, 0.646409 hours remaining, 241.578125 MB of memory in use. ENERGY: 4260200 4015.4434 20537.4735 14591.0029 264.3409 -203595.8120 2417.3899 0.0000 0.0000 52076.1264 -109694.0350 299.2822 -161770.1614 -109330.0877 299.2291 -217.9303 -188.1786 760846.2521 -0.9817 -0.9393 LDB: ============= START OF LOAD BALANCING ============== 13533.7 LDB: ============== END OF LOAD BALANCING =============== 13533.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.7 LDB: ============= START OF LOAD BALANCING ============== 13534 LDB: Largest compute 7070 load 0.036118 is 18.5% of average load 0.195325 LDB: Average compute 0.004384 is 2.2% of average load 0.195325 LDB: TIME 13534 LOAD: AVG 0.195325 MAX 0.213175 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 13534 LOAD: AVG 0.195325 MAX 0.213175 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: TIME 13534 LOAD: AVG 0.195325 MAX 0.213175 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: ============== END OF LOAD BALANCING =============== 13534 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13534 PRESSURE: 4260400 -86.9982 37.0991 123.341 37.0992 -111.145 185.54 123.341 185.54 -172.102 GPRESSURE: 4260400 5.74822 -30.2257 174.9 65.4434 -149.539 90.0266 172.67 368.571 -143.872 PRESSAVG: 4260400 26.7519 3.44107 -13.2078 3.44101 -48.3152 42.2288 -13.2077 42.2288 -11.8096 GPRESSAVG: 4260400 29.124 3.32789 -13.5938 3.69849 -49.7598 41.0061 -12.2539 44.8393 -13.1053 TIMING: 4260400 CPU: 13521.9, 0.00321948/step Wall: 13521.9, 0.00321948/step, 0.661423 hours remaining, 240.808594 MB of memory in use. ENERGY: 4260400 3980.8828 20427.9303 14643.2141 255.4897 -203314.0198 2397.1256 0.0000 0.0000 52257.7137 -109351.6636 300.3258 -161609.3773 -108990.7532 299.6027 -123.4153 -95.8875 761672.7329 -11.1243 -11.2470 PRESSURE: 4260600 -94.2634 -133.62 -5.19614 -133.62 -279.435 -102.619 -5.19604 -102.619 21.0222 GPRESSURE: 4260600 -34.8339 -58.6975 10.2722 -252.705 -286.678 -108.937 131.201 -197.595 56.9301 PRESSAVG: 4260600 -7.00123 -13.4539 52.7312 -13.4539 -32.4937 54.123 52.7311 54.123 -2.97237 GPRESSAVG: 4260600 -8.89584 -15.3013 54.2639 -14.3093 -30.5623 56.8818 51.5736 52.9627 -2.37947 TIMING: 4260600 CPU: 13522.5, 0.00314831/step Wall: 13522.5, 0.00314831/step, 0.646629 hours remaining, 240.808594 MB of memory in use. ENERGY: 4260600 3960.0597 20579.1519 14505.0146 246.7042 -203731.5228 2584.5955 0.0000 0.0000 52403.8495 -109452.1473 301.1656 -161855.9968 -109092.3194 299.8107 -117.5588 -88.1940 760897.1040 -14.1558 -13.9459 PRESSURE: 4260800 -335.36 -28.5743 98.3472 -28.5741 -230.643 -10.5947 98.3484 -10.5949 -179.531 GPRESSURE: 4260800 -296.854 20.6829 -1.27765 -87.7393 -245.888 -44.4104 57.4035 140.803 -112.732 PRESSAVG: 4260800 -9.89177 -13.801 -75.1826 -13.801 2.14912 4.90187 -75.1825 4.90184 -17.4373 GPRESSAVG: 4260800 -9.01564 -12.204 -76.172 -12.8886 0.104422 3.87018 -73.254 5.35771 -16.8732 TIMING: 4260800 CPU: 13523.1, 0.003149/step Wall: 13523.1, 0.003149/step, 0.646595 hours remaining, 240.808594 MB of memory in use. ENERGY: 4260800 4058.6061 20480.6555 14543.7162 271.8573 -203375.9270 2605.1031 0.0000 0.0000 52084.1787 -109331.8100 299.3285 -161415.9887 -108973.7178 299.5768 -248.5115 -218.4915 762183.8535 -8.3933 -8.5948 PRESSURE: 4261000 -307.076 75.5233 205.999 75.5231 131.192 31.4819 205.999 31.482 -23.803 GPRESSURE: 4261000 -284.944 -7.90273 187.821 120.017 168.633 77.2315 90.1728 35.7068 -18.4666 PRESSAVG: 4261000 -24.8804 32.5169 -5.99644 32.5169 4.51385 18.0823 -5.99643 18.0823 25.2718 GPRESSAVG: 4261000 -24.3078 31.0663 -5.86305 31.9024 5.38508 17.634 -8.52028 18.2098 23.6932 TIMING: 4261000 CPU: 13523.8, 0.00315595/step Wall: 13523.8, 0.00315595/step, 0.647847 hours remaining, 240.808594 MB of memory in use. ENERGY: 4261000 4020.8873 20579.1152 14553.9272 245.2655 -203717.7146 2735.7195 0.0000 0.0000 52131.2342 -109451.5658 299.5989 -161582.8000 -109088.0608 299.8986 -66.5624 -44.9258 760467.7886 1.6351 1.5902 PRESSURE: 4261200 472.926 117.171 9.55818 117.171 18.2949 -133.76 9.55722 -133.76 -287.219 GPRESSURE: 4261200 412.758 89.7183 -40.044 93.46 53.8903 -163.145 150.473 -57.7927 -184.129 PRESSAVG: 4261200 37.6966 -2.85127 -19.8248 -2.85127 -22.3764 11.7814 -19.8247 11.7813 -6.38284 GPRESSAVG: 4261200 35.3576 -1.06789 -21.1304 -4.88771 -21.3081 12.2338 -19.5621 10.6007 -5.18423 TIMING: 4261200 CPU: 13524.4, 0.00315319/step Wall: 13524.4, 0.00315319/step, 0.647104 hours remaining, 240.808594 MB of memory in use. ENERGY: 4261200 3992.6316 20552.6581 14534.1874 245.5171 -203474.8962 2563.5828 0.0000 0.0000 51982.9432 -109603.3759 298.7467 -161586.3192 -109243.3127 299.8083 68.0007 94.1730 759881.1588 2.9791 2.9551 PRESSURE: 4261400 -343.938 36.1708 -19.9233 36.1699 -130.919 145.99 -19.9234 145.99 -265.063 GPRESSURE: 4261400 -298.069 -14.8039 49.3147 -14.1978 -106.006 136.689 -12.5029 56.2636 -257.377 PRESSAVG: 4261400 4.14696 -0.390468 11.6381 -0.390468 32.4148 -32.3764 11.6381 -32.3764 0.247201 GPRESSAVG: 4261400 6.55935 -1.13773 11.758 1.23529 31.1416 -32.2044 14.1699 -30.532 -1.11046 TIMING: 4261400 CPU: 13525, 0.00315385/step Wall: 13525, 0.00315385/step, 0.647065 hours remaining, 240.808594 MB of memory in use. ENERGY: 4261400 3941.4291 20551.7572 14493.0776 251.6662 -203137.0336 2335.9572 0.0000 0.0000 51928.5334 -109634.6129 298.4340 -161563.1463 -109261.3960 299.2570 -246.6398 -220.4841 761510.1897 12.2697 12.1968 PRESSURE: 4261600 -4.78769 180.261 -146.529 180.262 56.5268 31.4596 -146.529 31.4604 277.095 GPRESSURE: 4261600 -46.176 93.0626 -128.622 230.771 216.764 96.5115 -175.261 92.2026 250.166 PRESSAVG: 4261600 24.0969 9.44069 4.0927 9.44072 16.3606 21.9537 4.09265 21.9538 -1.5132 GPRESSAVG: 4261600 22.9668 9.82523 3.83259 9.01803 16.2857 21.9234 4.20598 21.4799 -0.30795 TIMING: 4261600 CPU: 13525.6, 0.00315749/step Wall: 13525.6, 0.00315749/step, 0.647636 hours remaining, 240.808594 MB of memory in use. ENERGY: 4261600 3966.7540 20576.0038 14545.6777 266.2666 -203504.2595 2604.1263 0.0000 0.0000 52024.4259 -109521.0052 298.9851 -161545.4311 -109164.7179 299.0492 109.6114 140.2512 760861.5986 12.9814 12.9815 PRESSURE: 4261800 142.374 76.3204 6.31257 76.3212 -86.2475 41.1659 6.31247 41.1669 206.254 GPRESSURE: 4261800 77.5446 7.76424 -56.3677 -9.2875 37.4209 26.4531 -97.0017 60.2646 251.849 PRESSAVG: 4261800 13.1862 -12.5692 -29.5878 -12.5692 18.4707 -33.4057 -29.5877 -33.4057 17.2428 GPRESSAVG: 4261800 13.4163 -12.9986 -30.7774 -12.1502 19.21 -32.4814 -29.8115 -34.9206 17.0655 TIMING: 4261800 CPU: 13526.3, 0.00314843/step Wall: 13526.3, 0.00314843/step, 0.645603 hours remaining, 240.808594 MB of memory in use. ENERGY: 4261800 3901.2501 20572.9463 14524.1563 248.9806 -203608.9080 2703.7700 0.0000 0.0000 52141.9813 -109515.8235 299.6607 -161657.8048 -109149.1241 299.3508 87.4599 122.2716 761614.6821 16.2999 16.5640 PRESSURE: 4262000 102.848 -107.032 154.616 -107.031 -74.172 35.6938 154.616 35.6949 95.5581 GPRESSURE: 4262000 54.1498 -158.736 201.598 -89.9404 30.5461 49.513 17.0585 101.592 103.558 PRESSAVG: 4262000 34.3398 8.51989 -35.7056 8.51986 -32.8739 37.2497 -35.7056 37.2498 17.1365 GPRESSAVG: 4262000 34.9738 8.41265 -33.6874 9.47559 -33.1463 34.1238 -35.6334 39.3131 16.5158 TIMING: 4262000 CPU: 13526.9, 0.00313532/step Wall: 13526.9, 0.00313532/step, 0.642741 hours remaining, 240.808594 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: 4262000 3974.1145 20533.6922 14481.3057 261.4515 -203688.1148 2754.2599 0.0000 0.0000 52151.4351 -109531.8559 299.7150 -161683.2910 -109162.5701 299.3670 41.4113 62.7515 760792.8163 6.2008 6.1144 PRESSURE: 4262200 -142.857 -217.593 43.8239 -217.594 -169.725 -185.666 43.8238 -185.666 -393.277 GPRESSURE: 4262200 -167.546 -202.519 52.3781 -184.535 -112.732 -64.5942 -35.4868 -200.506 -355.687 PRESSAVG: 4262200 25.0496 -1.92395 33.9745 -1.92405 -5.82589 11.4695 33.9745 11.4694 -6.6602 GPRESSAVG: 4262200 24.3509 -1.76264 33.9708 -1.80938 -5.36182 14.0192 32.531 9.57611 -6.71612 TIMING: 4262200 CPU: 13527.5, 0.00316335/step Wall: 13527.5, 0.00316335/step, 0.648311 hours remaining, 240.808594 MB of memory in use. ENERGY: 4262200 4045.5685 20375.1606 14515.1247 228.9320 -203484.6147 2708.5886 0.0000 0.0000 52134.3173 -109476.9231 299.6166 -161611.2404 -109117.7609 298.8425 -235.2864 -211.9886 761115.7335 4.1878 4.0910 PRESSURE: 4262400 -102.069 53.7448 -84.4387 53.744 -143.449 192.511 -84.4384 192.511 -225.924 GPRESSURE: 4262400 -37.0955 4.45574 -48.8425 147.834 -102.482 184.361 -58.743 263.853 -234.63 PRESSAVG: 4262400 27.6168 51.0847 -45.05 51.0847 6.66052 1.3153 -45.0501 1.31539 17.3674 GPRESSAVG: 4262400 28.8415 50.1578 -45.5378 50.0832 6.36214 0.373523 -43.8735 3.3267 17.4722 TIMING: 4262400 CPU: 13528.2, 0.00317602/step Wall: 13528.2, 0.00317602/step, 0.650731 hours remaining, 240.808594 MB of memory in use. ENERGY: 4262400 3983.7064 20476.4733 14558.1593 261.9016 -203070.5335 2407.8369 0.0000 0.0000 51846.5326 -109535.9233 297.9627 -161382.4559 -109168.4502 299.4056 -157.1476 -124.7360 762346.7022 17.2149 17.5586 PRESSURE: 4262600 187.348 -86.6756 84.9835 -86.6762 -189.127 -120.683 84.9835 -120.683 -78.437 GPRESSURE: 4262600 248.739 -45.8213 154.328 -123.31 -207.205 -110.158 98.1874 -205.995 -37.0543 PRESSAVG: 4262600 13.2027 -25.514 13.2318 -25.514 -10.567 33.7774 13.2319 33.7774 10.2621 GPRESSAVG: 4262600 13.3458 -26.7394 12.0298 -24.8177 -10.903 33.9722 14.0309 31.128 10.4795 TIMING: 4262600 CPU: 13528.8, 0.0031725/step Wall: 13528.8, 0.0031725/step, 0.649834 hours remaining, 240.808594 MB of memory in use. ENERGY: 4262600 3974.6603 20575.2825 14545.1098 241.6096 -203299.4942 2367.8185 0.0000 0.0000 52162.2366 -109432.7770 299.7771 -161595.0136 -109071.6646 299.2282 -26.7389 1.4932 761887.5224 4.2993 4.3074 PRESSURE: 4262800 -182.783 -227.325 -51.3485 -227.325 5.18565 -50.3629 -51.3476 -50.3631 123.375 GPRESSURE: 4262800 -108.468 -142.594 37.8165 -252.901 38.6737 -102.588 -45.4 -81.1714 97.2465 PRESSAVG: 4262800 14.1358 18.7742 -29.6189 18.7742 -58.3539 25.9657 -29.6188 25.9656 -8.73008 GPRESSAVG: 4262800 12.9693 18.4183 -29.1385 16.4845 -57.9374 25.3107 -29.4275 28.0682 -7.59366 TIMING: 4262800 CPU: 13529.4, 0.0031538/step Wall: 13529.4, 0.0031538/step, 0.645829 hours remaining, 240.808594 MB of memory in use. ENERGY: 4262800 3955.7049 20529.4242 14490.3503 238.1117 -203718.4071 2755.5985 0.0000 0.0000 52136.3804 -109612.8372 299.6285 -161749.2176 -109235.8152 299.0058 -18.0741 9.1506 760269.2635 -17.6494 -17.5206 PRESSURE: 4263000 194.254 92.9503 -238.316 92.9501 15.0287 -101.756 -238.317 -101.756 -355.298 GPRESSURE: 4263000 144.254 40.4851 -272.947 -22.7816 67.3346 -91.3129 -185.183 -11.9892 -278.567 PRESSAVG: 4263000 21.5359 -3.79547 -5.34993 -3.79549 -30.075 -27.0222 -5.34995 -27.0222 0.740251 GPRESSAVG: 4263000 23.4426 -2.55847 -5.41092 -2.42619 -29.4705 -25.979 -5.76507 -26.3689 -1.56391 TIMING: 4263000 CPU: 13530.1, 0.00315113/step Wall: 13530.1, 0.00315113/step, 0.645107 hours remaining, 240.808594 MB of memory in use. ENERGY: 4263000 4031.7397 20634.9629 14439.2847 253.6873 -203583.9031 2630.4355 0.0000 0.0000 51963.9019 -109629.8911 298.6373 -161593.7930 -109261.5923 298.8133 -48.6717 -22.3263 760947.7861 -2.5996 -2.5306 PRESSURE: 4263200 -22.4166 37.651 -74.0346 37.6509 -23.7265 25.7453 -74.0345 25.7451 41.6672 GPRESSURE: 4263200 -55.1714 -2.8663 -67.8837 71.9667 85.0443 -84.1709 -14.6467 17.1523 22.6141 PRESSAVG: 4263200 11.9489 -38.8914 -19.9554 -38.8914 27.6819 15.4991 -19.9554 15.499 -1.23751 GPRESSAVG: 4263200 10.0496 -38.6631 -18.27 -38.7221 27.8085 13.9945 -20.1019 16.2176 0.54408 TIMING: 4263200 CPU: 13530.7, 0.00315771/step Wall: 13530.7, 0.00315771/step, 0.646278 hours remaining, 240.808594 MB of memory in use. ENERGY: 4263200 3996.0449 20630.2378 14517.9745 259.0454 -203413.0315 2291.9747 0.0000 0.0000 52114.1045 -109603.6496 299.5005 -161717.7541 -109249.1336 298.9735 -1.4919 17.4957 760349.9721 12.7978 12.8007 PRESSURE: 4263400 -456.834 -12.6971 76.7593 -12.6963 118.915 47.9295 76.759 47.931 -258.294 GPRESSURE: 4263400 -360.305 -45.2372 27.6596 26.0963 147.368 124.072 -14.6635 36.806 -301.053 PRESSAVG: 4263400 -10.0609 4.0328 48.5566 4.0328 36.5469 52.1899 48.5565 52.1899 -25.1721 GPRESSAVG: 4263400 -9.43039 3.57505 47.5059 4.88005 35.8139 55.9475 48.9518 49.1225 -25.6134 TIMING: 4263400 CPU: 13531.3, 0.00319192/step Wall: 13531.3, 0.00319192/step, 0.653102 hours remaining, 240.808594 MB of memory in use. ENERGY: 4263400 3990.0629 20384.4305 14546.1720 250.4719 -203435.2560 2487.7591 0.0000 0.0000 51971.1458 -109805.2138 298.6789 -161776.3596 -109439.7564 298.8546 -198.7380 -171.3298 760671.6105 0.4380 0.2567 PRESSURE: 4263600 -40.1362 -53.5636 -26.7706 -53.5639 -434.18 -84.9754 -26.7702 -84.9752 -84.6012 GPRESSURE: 4263600 -93.1209 -140.213 -109.042 116.978 -294.417 -119.697 64.945 -153.937 -81.5762 PRESSAVG: 4263600 48.3554 42.0008 11.4882 42.0008 -26.797 -9.98632 11.4882 -9.98631 8.29018 GPRESSAVG: 4263600 47.6105 42.6363 11.7044 40.4755 -25.514 -12.4791 10.8457 -9.08119 7.81364 TIMING: 4263600 CPU: 13532, 0.00314285/step Wall: 13532, 0.00314285/step, 0.642888 hours remaining, 240.808594 MB of memory in use. ENERGY: 4263600 3959.2203 20475.8226 14561.2702 239.4136 -203731.4320 2739.9653 0.0000 0.0000 52209.1217 -109546.6184 300.0465 -161755.7401 -109184.6630 298.3429 -186.3059 -156.3715 761218.7432 9.9495 9.9700 PRESSURE: 4263800 45.6505 -21.2094 -388.502 -21.2082 145.806 41.2924 -388.502 41.2932 542.945 GPRESSURE: 4263800 131.866 -36.2053 -398.123 -125.936 155.736 10.3803 -384.337 14.7599 522.781 PRESSAVG: 4263800 10.3958 19.7838 -28.3013 19.7839 -6.2164 -5.82061 -28.3013 -5.82057 28.9265 GPRESSAVG: 4263800 11.4452 20.8538 -28.2465 19.446 -7.23878 -8.40682 -30.0977 -5.84615 29.1267 TIMING: 4263800 CPU: 13532.6, 0.00314647/step Wall: 13532.6, 0.00314647/step, 0.643454 hours remaining, 240.808594 MB of memory in use. ENERGY: 4263800 3948.6093 20530.7271 14527.7194 243.2481 -203652.6783 2852.4770 0.0000 0.0000 52015.5238 -109534.3736 298.9339 -161549.8974 -109178.4951 298.9213 244.8004 270.1279 761748.0855 11.0353 11.1111 PRESSURE: 4264000 -165.565 -120.239 -228.029 -120.239 -111.124 -86.6539 -228.029 -86.6545 -139.674 GPRESSURE: 4264000 -47.0976 -115.248 -204.998 -29.7759 -135.429 -147.82 -165.078 -70.5794 -168.754 PRESSAVG: 4264000 69.1925 32.0086 -29.6399 32.0087 -96.0076 -28.2553 -29.64 -28.2553 15.8829 GPRESSAVG: 4264000 69.6385 32.2932 -29.8823 32.3087 -96.5083 -25.791 -28.2241 -28.776 15.9486 TIMING: 4264000 CPU: 13533.2, 0.00316281/step Wall: 13533.2, 0.00316281/step, 0.646619 hours remaining, 240.808594 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: 4264000 4003.2257 20441.0204 14465.5821 242.8274 -203262.4605 2475.7175 0.0000 0.0000 52153.3343 -109480.7531 299.7259 -161634.0875 -109117.6722 299.2793 -138.7878 -117.0937 759509.4664 -3.6441 -3.6404 PRESSURE: 4264200 182.79 74.8078 112.758 74.8076 147.266 -71.0553 112.758 -71.0547 -267.046 GPRESSURE: 4264200 197.015 -37.4728 144.081 -21.6818 128.971 -113.635 120.96 -146.302 -183.774 PRESSAVG: 4264200 98.2791 -32.8973 39.8688 -32.8973 -12.9539 -30.8092 39.8688 -30.8092 13.1003 GPRESSAVG: 4264200 96.0654 -33.7115 40.2356 -33.0101 -11.4369 -31.9945 39.988 -29.8669 13.3287 TIMING: 4264200 CPU: 13533.9, 0.00320701/step Wall: 13533.9, 0.00320701/step, 0.655476 hours remaining, 240.808594 MB of memory in use. ENERGY: 4264200 4064.6210 20608.1861 14529.0520 250.4312 -203536.9319 2669.3375 0.0000 0.0000 51995.7561 -109419.5479 298.8203 -161415.3040 -109068.0834 299.7382 21.0037 47.4041 760535.3402 32.8085 32.6524 LDB: ============= START OF LOAD BALANCING ============== 13546.3 LDB: ============== END OF LOAD BALANCING =============== 13546.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13546.3 LDB: ============= START OF LOAD BALANCING ============== 13546.7 LDB: Largest compute 7070 load 0.035203 is 18.0% of average load 0.195335 LDB: Average compute 0.004370 is 2.2% of average load 0.195335 LDB: TIME 13546.7 LOAD: AVG 0.195335 MAX 0.215446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 13546.7 LOAD: AVG 0.195335 MAX 0.215446 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: TIME 13546.7 LOAD: AVG 0.195335 MAX 0.215446 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: ============== END OF LOAD BALANCING =============== 13546.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13546.7 PRESSURE: 4264400 52.3691 54.469 -65.8765 54.4691 -357.032 62.1334 -65.8771 62.1333 155.529 GPRESSURE: 4264400 36.8811 14.5499 -21.8239 127.281 -254.668 77.5677 -113.61 11.5503 154.545 PRESSAVG: 4264400 2.78735 -9.48441 -10.9055 -9.48443 14.044 49.6834 -10.9055 49.6834 6.85113 GPRESSAVG: 4264400 4.60668 -8.54562 -11.8753 -8.59054 13.2591 51.3489 -10.7201 48.7151 6.1565 TIMING: 4264400 CPU: 13534.5, 0.00329379/step Wall: 13534.5, 0.00329379/step, 0.673032 hours remaining, 241.632812 MB of memory in use. ENERGY: 4264400 3910.0422 20624.1626 14537.1902 244.0131 -203149.7876 2350.4892 0.0000 0.0000 52148.3690 -109335.5214 299.6974 -161483.8904 -108979.6738 299.3271 -49.7113 -21.0808 762064.4655 7.8942 8.0074 PRESSURE: 4264600 -241.159 105.785 -19.4051 105.785 56.4162 -62.8004 -19.4054 -62.7991 80.8376 GPRESSURE: 4264600 -203.024 45.6066 98.9563 100.156 111.369 -86.2183 4.36053 -143.775 77.2929 PRESSAVG: 4264600 -42.936 54.5917 -5.42955 54.5916 -20.0457 4.98521 -5.4296 4.98521 2.85627 GPRESSAVG: 4264600 -43.093 52.981 -4.15774 55.9062 -20.3469 3.58415 -7.42806 5.98232 3.54267 TIMING: 4264600 CPU: 13535.2, 0.00320689/step Wall: 13535.2, 0.00320689/step, 0.655097 hours remaining, 241.835938 MB of memory in use. ENERGY: 4264600 3909.6681 20553.7484 14433.3982 250.5675 -203142.0831 2456.1229 0.0000 0.0000 52194.7709 -109343.8071 299.9641 -161538.5779 -108991.4762 299.5694 -34.6351 -4.7873 760039.7249 -20.0418 -19.9657 PRESSURE: 4264800 143.972 -181.076 -46.2274 -181.076 67.5635 141.87 -46.2274 141.87 138.836 GPRESSURE: 4264800 226.723 -158.699 40.2509 -125.15 83.6474 154.582 -103.508 111.674 135.436 PRESSAVG: 4264800 45.6381 -25.4429 -2.86875 -25.4429 -53.138 -38.2179 -2.86872 -38.2178 -21.9163 GPRESSAVG: 4264800 46.0284 -23.5111 -3.97882 -27.6708 -52.9066 -38.1257 -2.10832 -37.9085 -22.5927 TIMING: 4264800 CPU: 13535.8, 0.00320324/step Wall: 13535.8, 0.00320324/step, 0.654173 hours remaining, 241.835938 MB of memory in use. ENERGY: 4264800 3938.3828 20473.8176 14599.9341 269.1501 -203290.7882 2681.9287 0.0000 0.0000 52155.2164 -109172.3584 299.7367 -161327.5748 -108801.4811 300.0442 116.7904 148.6022 761990.7948 -9.8054 -9.8236 PRESSURE: 4265000 40.6402 -17.5123 91.0826 -17.5121 -192.234 -143.959 91.0839 -143.96 116.072 GPRESSURE: 4265000 103.734 -129.778 113.411 -54.3703 -122.737 -169.615 -90.3696 -161.659 83.3366 PRESSAVG: 4265000 -11.6066 -36.0903 -4.60322 -36.0903 31.5271 -8.08588 -4.60325 -8.08598 5.69075 GPRESSAVG: 4265000 -11.697 -38.4955 -4.47853 -35.6746 31.3656 -8.67172 -4.71123 -8.47222 5.63815 TIMING: 4265000 CPU: 13536.4, 0.00317658/step Wall: 13536.4, 0.00317658/step, 0.648552 hours remaining, 241.835938 MB of memory in use. ENERGY: 4265000 4020.4980 20508.5722 14457.1884 252.6451 -203151.8019 2729.5420 0.0000 0.0000 52045.9465 -109137.4097 299.1088 -161183.3562 -108771.4325 299.8601 -11.8404 21.4445 760366.8181 8.5371 8.4356 PRESSURE: 4265200 131.779 167.99 -48.1425 167.989 49.301 132.77 -48.1431 132.77 44.7159 GPRESSURE: 4265200 232.722 59.4059 -34.5146 159.107 20.5937 185.889 -19.1714 1.04871 46.8135 PRESSAVG: 4265200 -4.61087 -12.9473 8.26741 -12.9473 -8.84709 10.3176 8.26744 10.3175 3.85869 GPRESSAVG: 4265200 -5.20605 -12.8995 9.08337 -12.2577 -8.23148 10.4617 6.74801 9.8967 3.95127 TIMING: 4265200 CPU: 13537.1, 0.00318257/step Wall: 13537.1, 0.00318257/step, 0.649599 hours remaining, 241.835938 MB of memory in use. ENERGY: 4265200 3874.6664 20477.7984 14580.4470 248.7144 -203038.7771 2592.4700 0.0000 0.0000 52198.8717 -109065.8092 299.9876 -161264.6809 -108704.6916 300.2983 75.2652 100.0430 761926.4866 -3.1998 -3.1621 PRESSURE: 4265400 -205.601 52.2168 -209.295 52.2172 56.2582 -179.188 -209.293 -179.188 -142.636 GPRESSURE: 4265400 -67.1555 10.0022 -140.548 65.3328 44.5613 -151.995 -195.623 -161.211 -184.331 PRESSAVG: 4265400 -5.3324 24.5003 22.9091 24.5002 -32.0381 -20.5584 22.9091 -20.5584 -7.27991 GPRESSAVG: 4265400 -5.20796 25.2363 22.4106 23.8714 -31.9006 -19.4169 24.4419 -21.3802 -7.8371 TIMING: 4265400 CPU: 13537.7, 0.00317123/step Wall: 13537.7, 0.00317123/step, 0.647107 hours remaining, 241.835938 MB of memory in use. ENERGY: 4265400 4027.0413 20532.3457 14497.5564 232.4608 -203175.5932 2503.3742 0.0000 0.0000 52236.4014 -109146.4134 300.2033 -161382.8148 -108791.1607 300.2430 -97.3264 -68.9752 760901.7165 -14.8835 -14.9819 PRESSURE: 4265600 -64.1279 97.4083 -1.76887 97.4078 256.544 -38.1955 -1.76946 -38.1955 133.828 GPRESSURE: 4265600 -9.9958 108.223 51.6554 -21.1988 215.706 -118.807 -74.6974 20.3282 201.673 PRESSAVG: 4265600 -25.2351 23.6751 -66.9905 23.675 22.1071 -8.32717 -66.9905 -8.3272 23.8288 GPRESSAVG: 4265600 -25.3978 25.2555 -66.3265 21.9344 21.5199 -7.31931 -67.0521 -8.75554 23.9567 TIMING: 4265600 CPU: 13538.4, 0.00318211/step Wall: 13538.4, 0.00318211/step, 0.64915 hours remaining, 241.835938 MB of memory in use. ENERGY: 4265600 3952.1865 20704.5999 14483.9237 237.7523 -203392.1170 2624.1287 0.0000 0.0000 52153.4326 -109236.0933 299.7265 -161389.5259 -108867.1085 300.1667 108.7479 135.7943 762324.4740 6.9003 6.6929 PRESSURE: 4265800 40.9404 -130.757 68.7833 -130.757 -307.567 -3.54727 68.7841 -3.54822 -20.6752 GPRESSURE: 4265800 62.5336 -33.1404 131.119 -47.7587 -224.833 -69.4255 59.4382 81.7327 -34.8347 PRESSAVG: 4265800 8.91912 -12.8824 9.92499 -12.8825 35.5032 -51.0663 9.92495 -51.0664 -21.1247 GPRESSAVG: 4265800 9.03206 -14.2501 9.91242 -9.28368 35.3623 -51.2222 10.9738 -49.412 -21.0463 TIMING: 4265800 CPU: 13539, 0.00317724/step Wall: 13539, 0.00317724/step, 0.647981 hours remaining, 241.835938 MB of memory in use. ENERGY: 4265800 3978.9202 20482.0816 14530.0261 245.0859 -203119.6582 2553.6078 0.0000 0.0000 51969.2364 -109360.7002 298.6679 -161329.9366 -108999.0458 300.2155 -95.7671 -65.7112 762538.2372 7.7659 7.7827 PRESSURE: 4266000 -114.07 44.2506 149.029 44.2507 -284.504 237.926 149.029 237.927 219.778 GPRESSURE: 4266000 -13.4049 114.31 -24.9344 -80.2499 -243.415 217.722 335.545 322.835 157.665 PRESSAVG: 4266000 90.5021 -32.7384 27.2237 -32.7384 -83.9446 37.2902 27.2237 37.2902 13.0976 GPRESSAVG: 4266000 90.8744 -33.085 25.9167 -34.6239 -84.1572 35.9728 27.3365 37.5667 13.0532 TIMING: 4266000 CPU: 13539.6, 0.00319685/step Wall: 13539.6, 0.00319685/step, 0.651803 hours remaining, 241.835938 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: 4266000 3957.0351 20582.1544 14587.6802 236.6306 -203554.1704 2739.1656 0.0000 0.0000 52256.4145 -109195.0899 300.3183 -161451.5045 -108838.6778 299.8049 -59.5988 -33.0517 761663.8819 6.5517 6.5902 PRESSURE: 4266200 364.167 -10.444 73.9574 -10.4436 -388.282 -15.4292 73.9571 -15.4289 -281.67 GPRESSURE: 4266200 360.347 24.1522 118.706 66.3647 -320.905 -6.83463 101.714 -46.1803 -241.147 PRESSAVG: 4266200 25.6943 -62.9216 6.33105 -62.9216 -11.7233 9.52439 6.33096 9.52438 -8.9521 GPRESSAVG: 4266200 26.1199 -61.3952 7.72449 -63.3778 -12.1287 9.47232 5.35914 8.57386 -9.1434 TIMING: 4266200 CPU: 13540.3, 0.00317491/step Wall: 13540.3, 0.00317491/step, 0.647152 hours remaining, 241.835938 MB of memory in use. ENERGY: 4266200 4024.6634 20552.4490 14500.7618 260.0837 -203340.4379 2516.1794 0.0000 0.0000 52362.6202 -109123.6804 300.9287 -161486.3006 -108768.9106 300.2241 -101.9285 -67.2352 761409.5645 1.6730 1.6159 PRESSURE: 4266400 -165.738 -156.861 -321.978 -156.862 16.0868 69.8112 -321.978 69.811 81.0807 GPRESSURE: 4266400 -117.725 -123.423 -343.204 -57.0645 -32.3683 97.435 -330.559 -26.61 157.624 PRESSAVG: 4266400 45.7866 -25.9142 9.45358 -25.9142 -82.9172 -4.5066 9.45356 -4.50666 7.04075 GPRESSAVG: 4266400 45.2767 -24.9535 9.7923 -25.6977 -82.3754 -4.2041 10.2431 -4.85356 6.54115 TIMING: 4266400 CPU: 13540.9, 0.00318149/step Wall: 13540.9, 0.00318149/step, 0.648316 hours remaining, 241.835938 MB of memory in use. ENERGY: 4266400 4017.9851 20568.4998 14525.1792 246.4017 -203401.9439 2851.6298 0.0000 0.0000 52092.9962 -109099.2520 299.3792 -161192.2482 -108732.9993 300.2558 -22.8569 2.5100 763626.1238 -10.0299 -10.1858 PRESSURE: 4266600 338.179 46.5928 20.6221 46.592 -62.9218 98.2211 20.6227 98.221 219.254 GPRESSURE: 4266600 276.283 117.845 100.203 -1.05002 56.9323 28.9734 -20.254 29.3238 247.332 PRESSAVG: 4266600 9.01925 28.1215 -14.2546 28.1215 -30.7742 -19.6198 -14.2546 -19.6199 16.9096 GPRESSAVG: 4266600 7.82932 26.8094 -14.191 28.6179 -29.7125 -18.3485 -16.0182 -19.4623 17.3884 TIMING: 4266600 CPU: 13541.5, 0.00316223/step Wall: 13541.5, 0.00316223/step, 0.644217 hours remaining, 241.835938 MB of memory in use. ENERGY: 4266600 3988.1390 20577.0431 14596.7467 237.2202 -203519.3754 2824.3106 0.0000 0.0000 52088.6177 -109207.2980 299.3540 -161295.9157 -108838.9580 299.6317 164.8369 193.5156 763055.7462 -1.6151 -1.4982 PRESSURE: 4266800 202.377 -61.2726 120.261 -61.2721 -178.179 -194.256 120.261 -194.256 125.624 GPRESSURE: 4266800 173.797 11.7962 80.9715 -64.4281 -94.9208 -271.236 62.2886 -166.88 163.618 PRESSAVG: 4266800 13.6437 51.8802 -31.7177 51.8803 -10.8953 -37.4843 -31.7176 -37.4842 6.13684 GPRESSAVG: 4266800 15.5827 52.1447 -31.5499 49.8452 -11.6237 -38.3378 -31.8821 -36.1781 5.98317 TIMING: 4266800 CPU: 13542.2, 0.00318352/step Wall: 13542.2, 0.00318352/step, 0.648376 hours remaining, 241.835938 MB of memory in use. ENERGY: 4266800 4031.4889 20415.4355 14536.9572 244.0949 -203428.1612 2517.0924 0.0000 0.0000 52190.3232 -109492.7691 299.9385 -161683.0924 -109132.5936 299.2408 49.9407 80.8314 761229.0260 2.9617 3.3141 PRESSURE: 4267000 -223.259 74.6365 -13.6946 74.6371 -408.958 -28.0744 -13.6944 -28.0739 234.875 GPRESSURE: 4267000 -229.147 -110.94 -56.7548 106.797 -281.584 -39.4483 9.50342 124.68 191.405 PRESSAVG: 4267000 -6.67735 -4.42598 -18.0247 -4.42599 14.2334 -7.2788 -18.0247 -7.2788 -18.7927 GPRESSAVG: 4267000 -7.70649 -5.87098 -17.7076 -2.03176 16.006 -6.74169 -16.2359 -9.93667 -19.4168 TIMING: 4267000 CPU: 13542.8, 0.00317797/step Wall: 13542.8, 0.00317797/step, 0.647069 hours remaining, 241.835938 MB of memory in use. ENERGY: 4267000 4032.2763 20519.1366 14521.9868 236.3820 -203410.4998 2525.5309 0.0000 0.0000 51894.2196 -109680.9675 298.2368 -161575.1871 -109317.9229 299.0048 -132.4476 -106.4420 763619.3942 -3.7455 -3.7058 PRESSURE: 4267200 -239.93 125.138 -141.307 125.137 -102.752 -50.5742 -141.307 -50.5731 268.371 GPRESSURE: 4267200 -213.514 91.3635 11.0233 93.4996 -54.4246 -15.4884 -67.4544 -36.8145 278.926 PRESSAVG: 4267200 -18.0403 -4.78589 21.5614 -4.78585 45.7874 27.3429 21.5614 27.3429 22.14 GPRESSAVG: 4267200 -16.3424 -4.24756 22.1874 -5.66388 44.613 28.2505 21.1413 27.9482 21.9526 TIMING: 4267200 CPU: 13543.4, 0.00318743/step Wall: 13543.4, 0.00318743/step, 0.648819 hours remaining, 241.835938 MB of memory in use. ENERGY: 4267200 3919.0339 20551.1888 14497.5850 273.6956 -203588.5619 2649.8333 0.0000 0.0000 52209.4004 -109487.8250 300.0481 -161697.2254 -109119.5869 299.1428 -24.7702 3.6624 763901.2171 16.6290 16.7411 PRESSURE: 4267400 -159.956 -71.1128 -125.513 -71.1136 -412.73 -91.3591 -125.514 -91.3584 -418.436 GPRESSURE: 4267400 -180.272 -133.179 -69.0633 -76.3225 -369.596 43.3531 -118.442 -232.664 -358.185 PRESSAVG: 4267400 -15.556 -29.8852 51.3144 -29.8852 -24.1118 12.8454 51.3144 12.8453 -14.0338 GPRESSAVG: 4267400 -16.5294 -29.8419 50.6824 -32.0896 -23.7183 11.8073 52.5197 12.2866 -13.0307 TIMING: 4267400 CPU: 13544.1, 0.0031875/step Wall: 13544.1, 0.0031875/step, 0.648657 hours remaining, 241.835938 MB of memory in use. ENERGY: 4267400 3950.3911 20557.2208 14513.1016 234.9334 -203047.5265 2491.3906 0.0000 0.0000 51907.2289 -109393.2602 298.3116 -161300.4890 -109030.9979 299.3524 -330.3737 -302.6843 764162.7773 -17.9005 -17.7594 PRESSURE: 4267600 -29.9599 -198.674 83.1186 -198.674 -9.09422 273.833 83.1186 273.834 58.9172 GPRESSURE: 4267600 -0.86314 -250.52 63.4068 -135.858 -51.2101 256.704 72.795 251.181 154.308 PRESSAVG: 4267600 44.4416 -43.57 5.2339 -43.57 -1.30717 -21.0047 5.23392 -21.0047 4.95265 GPRESSAVG: 4267600 43.9878 -42.9342 2.94197 -42.9505 -1.20516 -22.3807 2.89319 -19.6342 5.4189 TIMING: 4267600 CPU: 13544.7, 0.00314773/step Wall: 13544.7, 0.00314773/step, 0.640389 hours remaining, 241.835938 MB of memory in use. ENERGY: 4267600 3908.1070 20455.6053 14462.0101 240.5674 -203219.9653 2660.6637 0.0000 0.0000 52064.7778 -109428.2341 299.2170 -161493.0119 -109065.1660 299.7238 6.6210 34.0783 761346.2421 16.0290 16.0672 PRESSURE: 4267800 -15.427 -36.2614 109.691 -36.2609 40.6063 -105.704 109.692 -105.704 356.619 GPRESSURE: 4267800 83.8018 -178.029 34.6949 -68.7166 41.6043 -56.5149 106.846 -186.752 336.875 PRESSAVG: 4267800 52.7628 -24.3416 57.1742 -24.3416 -28.249 -56.8459 57.1742 -56.8458 1.93555 GPRESSAVG: 4267800 53.7405 -24.7273 58.3107 -24.2945 -28.9882 -55.8599 57.4097 -56.1583 1.77726 TIMING: 4267800 CPU: 13545.3, 0.00315863/step Wall: 13545.3, 0.00315863/step, 0.64243 hours remaining, 241.835938 MB of memory in use. ENERGY: 4267800 3973.0007 20315.8052 14478.5906 238.5077 -203276.4812 2621.3199 0.0000 0.0000 52242.9068 -109406.3502 300.2407 -161649.2570 -109044.7460 299.0024 127.2660 154.0936 761406.1687 8.8165 8.8432 PRESSURE: 4268000 84.1401 -318.127 47.6252 -318.127 -56.7933 -78.4039 47.625 -78.404 -22.5368 GPRESSURE: 4268000 28.2223 -299.264 -26.1958 -360.309 21.8358 -20.3764 24.0813 -158.444 38.4253 PRESSAVG: 4268000 45.0026 5.75974 31.4834 5.75973 -5.19324 -16.8552 31.4834 -16.8551 15.8685 GPRESSAVG: 4268000 43.9598 6.20995 29.5455 5.34212 -4.07668 -18.4694 32.2817 -18.8365 16.3454 TIMING: 4268000 CPU: 13546, 0.00316066/step Wall: 13546, 0.00316066/step, 0.642668 hours remaining, 241.835938 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: 4268000 3960.6503 20595.2759 14443.1932 246.1697 -202966.5330 2309.6542 0.0000 0.0000 52232.1636 -109179.4261 300.1790 -161411.5896 -108817.5409 299.6065 1.6033 29.4945 762310.2432 18.5593 18.7428 PRESSURE: 4268200 0.575473 14.0357 2.07313 14.0355 -43.2975 152.288 2.07339 152.289 196.772 GPRESSURE: 4268200 133.319 15.207 54.7083 -45.8635 -130.826 151.034 54.1846 166.098 205.756 PRESSAVG: 4268200 -6.98182 -12.7028 41.7864 -12.7028 9.30719 -7.3305 41.7865 -7.33045 16.8113 GPRESSAVG: 4268200 -7.37079 -13.873 42.7305 -10.2328 9.70075 -5.80857 40.3701 -5.73339 16.325 TIMING: 4268200 CPU: 13546.6, 0.00315101/step Wall: 13546.6, 0.00315101/step, 0.64053 hours remaining, 241.835938 MB of memory in use. ENERGY: 4268200 3895.5053 20542.4054 14587.4486 235.4359 -203119.7596 2541.9325 0.0000 0.0000 52188.0182 -109129.0137 299.9253 -161317.0319 -108762.1229 300.1788 51.3500 69.4161 762168.0385 6.3789 6.2183 LDB: ============= START OF LOAD BALANCING ============== 13559.1 LDB: ============== END OF LOAD BALANCING =============== 13559.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13559.1 LDB: ============= START OF LOAD BALANCING ============== 13559.4 LDB: Largest compute 7034 load 0.036063 is 18.5% of average load 0.195298 LDB: Average compute 0.004379 is 2.2% of average load 0.195298 LDB: TIME 13559.4 LOAD: AVG 0.195298 MAX 0.21461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 13559.4 LOAD: AVG 0.195298 MAX 0.21461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 13559.4 LOAD: AVG 0.195298 MAX 0.21461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 13559.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13559.4 PRESSURE: 4268400 93.8747 11.3796 -50.7827 11.3805 12.8935 -166.96 -50.7834 -166.961 144.487 GPRESSURE: 4268400 148.221 40.3014 17.5311 57.9618 53.6949 -187.937 2.33594 -65.9015 139.14 PRESSAVG: 4268400 25.5431 14.5492 -9.34816 14.5493 1.0697 3.80351 -9.34822 3.80351 12.1463 GPRESSAVG: 4268400 25.8314 14.4023 -8.30308 14.7117 0.146367 4.28449 -9.99409 4.40116 12.4453 TIMING: 4268400 CPU: 13547.2, 0.00322797/step Wall: 13547.2, 0.00322797/step, 0.655995 hours remaining, 241.445312 MB of memory in use. ENERGY: 4268400 4003.6633 20562.9236 14559.1893 253.5317 -203114.1773 2402.3643 0.0000 0.0000 52224.8061 -109107.6990 300.1367 -161332.5050 -108747.7060 300.4968 83.7516 113.6853 763702.0129 12.9197 12.8077 PRESSURE: 4268600 166.299 -97.2732 139.064 -97.2737 -85.7814 79.747 139.064 79.7467 -80.6151 GPRESSURE: 4268600 181.707 -121.493 120.432 -83.944 -69.6547 46.8159 97.1334 96.2936 -21.8078 PRESSAVG: 4268600 -18.7256 3.67663 4.75785 3.67653 8.17388 50.6944 4.75779 50.6943 -9.2273 GPRESSAVG: 4268600 -18.2763 4.16894 3.81768 2.82901 6.95724 51.1001 5.50747 47.869 -8.65985 TIMING: 4268600 CPU: 13547.9, 0.00319856/step Wall: 13547.9, 0.00319856/step, 0.649842 hours remaining, 241.648438 MB of memory in use. ENERGY: 4268600 3947.1865 20592.3982 14486.6342 248.9682 -203347.3547 2750.5891 0.0000 0.0000 52081.1420 -109240.4365 299.3110 -161321.5785 -108884.7512 300.2212 -0.0325 30.0816 763105.7872 -6.5930 -6.6596 PRESSURE: 4268800 130.867 -104.089 204.488 -104.089 249.416 41.7482 204.488 41.7489 293.689 GPRESSURE: 4268800 176.184 12.7404 66.365 -162.171 312.81 43.7935 198.181 76.4499 262.818 PRESSAVG: 4268800 -31.1191 -1.76282 24.1558 -1.76286 84.0697 30.499 24.1558 30.499 -4.30593 GPRESSAVG: 4268800 -31.17 -1.05804 24.9494 -1.17578 85.1875 29.5579 24.2358 32.8514 -5.70189 TIMING: 4268800 CPU: 13548.5, 0.00317304/step Wall: 13548.5, 0.00317304/step, 0.64448 hours remaining, 241.648438 MB of memory in use. ENERGY: 4268800 3996.0923 20640.8727 14505.7840 252.2367 -203422.8800 2731.1371 0.0000 0.0000 52115.6254 -109181.1318 299.5092 -161296.7572 -108817.8010 300.0025 224.6573 250.6041 762705.4476 16.2149 16.1052 PRESSURE: 4269000 160.479 -59.9771 -325.494 -59.9771 -6.81641 76.3281 -325.494 76.3285 -145.682 GPRESSURE: 4269000 169.091 142.011 -284.349 -90.8028 27.2331 132.929 -140.818 103.642 -94.5134 PRESSAVG: 4269000 -20.7961 -11.1426 -6.14344 -11.1426 20.8845 28.5527 -6.14341 28.5527 -16.1474 GPRESSAVG: 4269000 -21.5216 -11.935 -6.44482 -10.4809 21.4084 30.4199 -6.49118 28.1124 -16.0669 TIMING: 4269000 CPU: 13549.2, 0.00316165/step Wall: 13549.2, 0.00316165/step, 0.64199 hours remaining, 241.648438 MB of memory in use. ENERGY: 4269000 3895.6212 20557.7038 14468.0668 232.1343 -203180.5928 2711.9052 0.0000 0.0000 52066.0645 -109249.0971 299.2244 -161315.1616 -108887.3278 299.6889 2.6603 33.9369 763552.7431 -5.3530 -5.3934 PRESSURE: 4269200 -57.5788 6.99825 -33.9982 6.99843 -99.9486 62.8259 -33.9979 62.8262 208.713 GPRESSURE: 4269200 43.8402 33.6368 -103.387 -2.28282 -35.9252 1.42843 -80.7201 29.9714 124.697 PRESSAVG: 4269200 -5.88387 -6.49904 30.1818 -6.49907 35.9719 28.8307 30.1819 28.8307 -8.99463 GPRESSAVG: 4269200 -5.0254 -7.33667 29.1016 -5.77421 34.064 27.6377 32.0721 29.0895 -7.88096 TIMING: 4269200 CPU: 13549.8, 0.00318853/step Wall: 13549.8, 0.00318854/step, 0.647273 hours remaining, 241.648438 MB of memory in use. ENERGY: 4269200 3981.1090 20403.5495 14458.5830 273.4874 -203467.6535 2635.3986 0.0000 0.0000 52343.5380 -109371.9880 300.8190 -161715.5260 -109013.4925 299.8737 17.0620 44.2041 761096.5553 7.0311 7.0525 PRESSURE: 4269400 -167.591 -83.8441 241.654 -83.8433 431.838 192.323 241.653 192.324 137.107 GPRESSURE: 4269400 -84.4582 70.5284 350.283 -56.6005 454.202 127.553 235.715 363.326 96.205 PRESSAVG: 4269400 37.4406 -30.7096 19.5598 -30.7096 -23.0003 -1.48799 19.5599 -1.48804 14.0481 GPRESSAVG: 4269400 37.1332 -27.898 21.5486 -33.2271 -21.6187 -3.26452 18.4781 -0.941584 12.9466 TIMING: 4269400 CPU: 13550.4, 0.00318456/step Wall: 13550.4, 0.00318456/step, 0.646289 hours remaining, 241.648438 MB of memory in use. ENERGY: 4269400 3970.4771 20503.4600 14549.9831 249.1554 -203522.4536 2623.5546 0.0000 0.0000 52314.5165 -109311.3068 300.6522 -161625.8234 -108954.2064 299.8724 133.7845 155.3161 760949.1046 9.4962 9.4871 PRESSURE: 4269600 582.953 118.61 -152.851 118.61 9.29864 39.3101 -152.851 39.3094 60.0375 GPRESSURE: 4269600 512.025 110.05 -186.368 1.26294 130.572 23.5246 -96.2943 21.9206 74.8176 PRESSAVG: 4269600 -7.37822 -30.9257 9.08321 -30.9257 -0.411156 22.601 9.08322 22.601 2.8822 GPRESSAVG: 4269600 -7.48816 -32.6057 8.03578 -31.7076 0.189995 23.144 8.37946 22.3659 3.10042 TIMING: 4269600 CPU: 13551.1, 0.00319889/step Wall: 13551.1, 0.00319889/step, 0.649019 hours remaining, 241.648438 MB of memory in use. ENERGY: 4269600 3976.5554 20483.9400 14579.0380 250.5329 -203778.7568 2952.3810 0.0000 0.0000 52095.9560 -109440.3536 299.3962 -161536.3096 -109086.7150 299.9357 217.4296 239.1383 761342.4056 -1.6357 -1.3992 PRESSURE: 4269800 305.891 6.88591 80.6744 6.88606 142.199 93.0951 80.6741 93.0952 -146.217 GPRESSURE: 4269800 310.936 94.8972 62.1942 3.96944 232.178 107.559 112.778 122.452 -164.184 PRESSAVG: 4269800 18.5569 14.6394 -14.7712 14.6394 33.9904 51.6145 -14.7712 51.6145 34.2489 GPRESSAVG: 4269800 18.0733 14.4848 -15.098 16.1261 34.9902 52.8984 -12.347 50.3866 33.4753 TIMING: 4269800 CPU: 13551.7, 0.0031912/step Wall: 13551.7, 0.0031912/step, 0.647282 hours remaining, 241.648438 MB of memory in use. ENERGY: 4269800 4044.7623 20300.2174 14549.7027 267.0922 -203550.5230 2721.8203 0.0000 0.0000 52086.0774 -109580.8506 299.3394 -161666.9280 -109222.7237 299.5765 100.6242 126.3099 760777.7923 28.9321 28.8462 PRESSURE: 4270000 29.2399 196.343 -5.40395 196.344 13.9816 69.4485 -5.40392 69.448 213.593 GPRESSURE: 4270000 37.267 127.994 64.5667 115.98 58.4817 76.7146 -71.0434 11.5784 270.408 PRESSAVG: 4270000 -29.5275 29.633 6.11368 29.633 31.18 41.3407 6.11359 41.3407 24.0059 GPRESSAVG: 4270000 -30.2402 30.0963 5.71674 30.017 30.5159 40.0542 6.70168 43.4826 25.4535 TIMING: 4270000 CPU: 13552.3, 0.00317722/step Wall: 13552.3, 0.00317722/step, 0.644269 hours remaining, 241.648438 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: 4270000 3971.0740 20579.8633 14573.5915 248.9026 -203343.4230 2362.3442 0.0000 0.0000 52215.2680 -109392.3792 300.0819 -161607.6472 -109035.2174 298.9654 85.6049 122.0523 760643.1074 8.5528 8.5764 PRESSURE: 4270200 -78.949 142.667 -72.9027 142.667 134.567 258.925 -72.9029 258.925 -310.246 GPRESSURE: 4270200 -48.0747 112.504 -10.0956 99.7586 119.339 223.452 -88.5507 390.006 -243.463 PRESSAVG: 4270200 14.0764 24.2781 9.73893 24.278 -21.7662 -0.948948 9.73893 -0.948982 13.257 GPRESSAVG: 4270200 14.4567 20.7282 10.2181 24.6009 -21.1718 0.398807 9.24033 -0.81819 12.9623 TIMING: 4270200 CPU: 13553, 0.00316254/step Wall: 13553, 0.00316254/step, 0.641118 hours remaining, 241.648438 MB of memory in use. ENERGY: 4270200 4020.9045 20590.1147 14610.3137 239.5026 -203202.1167 2292.4585 0.0000 0.0000 52245.8888 -109202.9339 300.2578 -161448.8227 -108836.2732 300.1074 -84.8759 -57.3999 760103.8056 1.8557 2.0824 PRESSURE: 4270400 -106.018 189.804 72.9301 189.804 -95.0885 -124.42 72.9295 -124.419 567.545 GPRESSURE: 4270400 -103.639 250.491 85.7185 213.571 4.0577 -130.737 83.1159 -119.787 546.403 PRESSAVG: 4270400 -58.3879 70.2661 -21.719 70.2661 60.9198 12.7661 -21.719 12.7661 -6.56563 GPRESSAVG: 4270400 -57.6266 72.6183 -22.1732 70.2813 60.697 11.6025 -20.8048 13.2379 -7.43333 TIMING: 4270400 CPU: 13553.6, 0.00316355/step Wall: 13553.6, 0.00316355/step, 0.641146 hours remaining, 241.648438 MB of memory in use. ENERGY: 4270400 3953.3053 20575.8346 14467.7359 246.8111 -203326.3928 2478.1704 0.0000 0.0000 52211.9933 -109392.5422 300.0630 -161604.5355 -109023.4383 299.7736 122.1462 148.9407 761372.5297 -1.3446 -1.4543 PRESSURE: 4270600 27.8048 88.7274 -126.258 88.727 -289.838 65.6478 -126.259 65.6485 -351.201 GPRESSURE: 4270600 61.2837 139.935 -164.375 -103.236 -238.855 77.0868 -83.68 184.143 -329.75 PRESSAVG: 4270600 -24.0328 40.7546 9.5325 40.7546 47.3191 14.2435 9.5325 14.2435 -7.60712 GPRESSAVG: 4270600 -23.935 40.8908 8.64405 39.6272 47.5743 15.4627 9.26113 11.8984 -7.39107 TIMING: 4270600 CPU: 13554.2, 0.00315883/step Wall: 13554.2, 0.00315883/step, 0.640013 hours remaining, 241.648438 MB of memory in use. ENERGY: 4270600 3972.2619 20362.0297 14555.4995 264.1150 -203075.0250 2236.9989 0.0000 0.0000 51964.1085 -109720.0115 298.6384 -161684.1200 -109346.6195 299.4664 -204.4114 -169.1070 761476.8258 5.2264 5.4161 PRESSURE: 4270800 -212.497 45.0998 189.819 45.1007 0.954511 27.3757 189.819 27.3766 254.535 GPRESSURE: 4270800 -243.802 -21.8665 156.7 152.477 209.047 88.8074 382.625 107.11 171.813 PRESSAVG: 4270800 -29.0777 87.163 37.2938 87.1629 -17.504 -3.56502 37.2938 -3.56509 14.198 GPRESSAVG: 4270800 -28.8134 86.0504 38.9263 85.6684 -17.2223 -3.1923 36.0245 -3.07432 13.6127 TIMING: 4270800 CPU: 13554.9, 0.00315915/step Wall: 13554.9, 0.00315915/step, 0.639903 hours remaining, 241.648438 MB of memory in use. ENERGY: 4270800 3991.9109 20487.5851 14464.9116 250.6699 -203386.2878 2654.1476 0.0000 0.0000 51727.5449 -109809.5179 297.2789 -161537.0628 -109451.6937 298.7772 14.3311 45.6861 759943.7896 -10.7946 -10.8076 PRESSURE: 4271000 150.052 -8.30956 -160.353 -8.31 -154.606 10.7047 -160.353 10.7043 64.7991 GPRESSURE: 4271000 175.093 -41.7172 -153.489 -16.2865 -128.371 -61.5131 -152.014 -74.366 91.7255 PRESSAVG: 4271000 -1.57331 53.4736 59.1324 53.4736 29.6907 54.4971 59.1324 54.4969 -15.9673 GPRESSAVG: 4271000 -1.47439 54.5669 59.1231 53.8751 27.403 52.8868 60.5607 55.3783 -13.6659 TIMING: 4271000 CPU: 13555.5, 0.00314838/step Wall: 13555.5, 0.00314838/step, 0.637548 hours remaining, 241.648438 MB of memory in use. ENERGY: 4271000 4007.0878 20315.3182 14506.1406 260.2534 -203769.7260 2683.9043 0.0000 0.0000 52249.3598 -109747.6619 300.2778 -161997.0217 -109387.8541 298.7062 20.0819 46.1492 760443.6860 4.0500 4.0875 PRESSURE: 4271200 175.862 -152.825 -74.8276 -152.825 -209.466 -74.9553 -74.8276 -74.9553 -156.647 GPRESSURE: 4271200 220.808 -161.372 54.3639 -78.1647 -240.587 -57.6026 -60.1972 6.54041 -85.2484 PRESSAVG: 4271200 16.6931 56.367 13.5955 56.367 -23.7699 11.2475 13.5955 11.2475 4.78901 GPRESSAVG: 4271200 15.6055 55.1249 14.3259 58.8516 -21.3802 12.0146 10.8336 8.61911 3.70374 TIMING: 4271200 CPU: 13556.1, 0.00314948/step Wall: 13556.1, 0.00314948/step, 0.637595 hours remaining, 241.648438 MB of memory in use. ENERGY: 4271200 4039.3201 20420.1248 14496.7322 241.3442 -203494.6814 2307.3273 0.0000 0.0000 52149.3111 -109840.5218 299.7028 -161989.8329 -109475.7711 299.3359 -63.4172 -35.0092 759574.3879 -0.7626 -0.6903 PRESSURE: 4271400 -164.388 196.148 -27.2416 196.148 60.9413 -102.41 -27.241 -102.412 -96.282 GPRESSURE: 4271400 -84.7404 108.588 7.31984 117.391 44.8822 -162.813 49.3266 -76.3362 -78.4415 PRESSAVG: 4271400 12.1 42.3464 -7.57523 42.3464 2.46466 0.960585 -7.57528 0.960474 0.178697 GPRESSAVG: 4271400 12.7521 43.625 -9.8071 40.0821 1.6063 -0.103923 -5.61966 3.4569 0.542469 TIMING: 4271400 CPU: 13556.8, 0.00315539/step Wall: 13556.8, 0.00315539/step, 0.638615 hours remaining, 241.648438 MB of memory in use. ENERGY: 4271400 4029.0876 20391.2622 14497.2123 268.2594 -203884.7080 2883.1689 0.0000 0.0000 51875.0502 -109940.6675 298.1266 -161815.7177 -109582.6602 298.5804 -66.5761 -39.4333 760625.3693 4.9145 4.9669 PRESSURE: 4271600 109.497 111.78 -288.366 111.78 -344.397 -150.874 -288.365 -150.875 -52.8823 GPRESSURE: 4271600 96.0933 -73.6559 -272.637 178.805 -256.76 -145.751 -416.744 -65.3432 -53.4511 PRESSAVG: 4271600 0.274886 -0.159358 4.8608 -0.159403 5.47887 16.3042 4.86077 16.3041 5.81979 GPRESSAVG: 4271600 -1.29096 -0.0195094 6.72163 1.08245 7.00937 17.0645 1.4211 16.7328 6.16494 TIMING: 4271600 CPU: 13557.4, 0.00317448/step Wall: 13557.4, 0.00317448/step, 0.642303 hours remaining, 241.648438 MB of memory in use. ENERGY: 4271600 4004.4170 20458.1156 14478.2295 251.8283 -203471.1188 2526.9608 0.0000 0.0000 51844.7898 -109906.7777 297.9527 -161751.5676 -109550.6203 298.3320 -95.9272 -71.3725 761161.4589 3.8578 3.9611 PRESSURE: 4271800 0.438525 -91.4986 118.185 -91.4985 -86.8519 -258.589 118.186 -258.589 -229.739 GPRESSURE: 4271800 35.4215 -86.7535 44.6424 -7.59947 -41.8146 -233.095 132.403 -274.624 -209.593 PRESSAVG: 4271800 22.1419 72.3421 -3.45981 72.3421 -50.8469 42.2845 -3.45985 42.2845 15.716 GPRESSAVG: 4271800 23.2326 70.3864 -3.2565 73.1451 -51.274 42.2171 -1.1163 41.6984 14.6654 TIMING: 4271800 CPU: 13558, 0.00318352/step Wall: 13558, 0.00318352/step, 0.643956 hours remaining, 241.648438 MB of memory in use. ENERGY: 4271800 4062.1009 20382.0814 14493.2900 254.5079 -203626.7700 2779.9680 0.0000 0.0000 51848.3263 -109806.4956 297.9730 -161654.8219 -109449.2289 298.7799 -105.3842 -71.9955 763041.1417 -4.3297 -4.4587 PRESSURE: 4272000 -219.113 -32.1262 47.6278 -32.1256 -296.034 90.9544 47.6282 90.9537 -69.4976 GPRESSURE: 4272000 -180.89 -58.0323 67.2373 27.3226 -218.307 91.4033 -16.6673 -27.998 -81.1227 PRESSAVG: 4272000 43.6136 56.6827 -46.2085 56.6827 -79.4202 40.7421 -46.2084 40.7421 -10.4273 GPRESSAVG: 4272000 42.8562 57.9611 -46.0744 54.8785 -78.8828 41.0661 -45.1779 40.2471 -10.7563 TIMING: 4272000 CPU: 13558.7, 0.00315817/step Wall: 13558.7, 0.00315817/step, 0.638652 hours remaining, 241.648438 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: 4272000 4032.3086 20551.5436 14502.7034 264.9641 -203913.5440 2827.2628 0.0000 0.0000 51974.0586 -109760.7030 298.6956 -161734.7616 -109390.6584 298.6945 -194.8814 -160.1066 762410.9011 -15.4113 -15.5943 PRESSURE: 4272200 -94.7749 180.409 -239.587 180.409 -239.179 282.356 -239.587 282.356 76.7128 GPRESSURE: 4272200 -58.3764 47.2709 -167.63 196.752 -208.545 237.655 -201.587 165.766 86.2286 PRESSAVG: 4272200 60.473 34.7114 -37.7148 34.7114 -49.5303 9.65423 -37.7147 9.65416 10.4471 GPRESSAVG: 4272200 60.0762 36.266 -40.1098 34.6074 -49.0866 7.74673 -40.0901 9.87993 10.6296 TIMING: 4272200 CPU: 13559.3, 0.00314773/step Wall: 13559.3, 0.00314773/step, 0.636366 hours remaining, 241.648438 MB of memory in use. ENERGY: 4272200 3973.7256 20522.1925 14531.0904 260.2308 -203361.3272 2500.7593 0.0000 0.0000 51798.5917 -109774.7369 297.6872 -161573.3285 -109412.6555 298.7594 -85.7472 -60.2309 761405.7395 7.1299 7.2064 LDB: ============= START OF LOAD BALANCING ============== 13571.7 LDB: ============== END OF LOAD BALANCING =============== 13571.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13571.7 LDB: ============= START OF LOAD BALANCING ============== 13572.1 LDB: Largest compute 7055 load 0.034574 is 17.7% of average load 0.195505 LDB: Average compute 0.004371 is 2.2% of average load 0.195505 LDB: TIME 13572.1 LOAD: AVG 0.195505 MAX 0.215647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.035 MB LDB: TIME 13572.1 LOAD: AVG 0.195505 MAX 0.215647 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.035 MB LDB: TIME 13572.1 LOAD: AVG 0.195505 MAX 0.215647 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.035 MB LDB: ============== END OF LOAD BALANCING =============== 13572.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13572.1 PRESSURE: 4272400 -12.1943 -130.826 50.218 -130.826 -72.9968 100.374 50.2186 100.373 42.468 GPRESSURE: 4272400 42.2984 -91.6895 -11.0907 -227.896 -50.6161 100.044 -19.8068 30.3793 39.1834 PRESSAVG: 4272400 -26.0359 14.4405 -64.7902 14.4405 4.6089 47.4146 -64.7902 47.4145 25.0006 GPRESSAVG: 4272400 -26.3339 14.5156 -63.2967 12.6945 2.97725 49.5787 -63.1893 48.2371 26.2619 TIMING: 4272400 CPU: 13559.9, 0.00323387/step Wall: 13559.9, 0.00323387/step, 0.653601 hours remaining, 241.378906 MB of memory in use. ENERGY: 4272400 3955.4674 20568.5672 14432.6011 239.7068 -203452.7805 2557.3659 0.0000 0.0000 51888.3093 -109810.7628 298.2028 -161699.0721 -109458.1816 298.5145 -14.2410 10.2886 759968.3716 1.1912 0.9684 PRESSURE: 4272600 -90.1899 42.8945 -114.753 42.8941 -166.701 -142.804 -114.752 -142.804 154.977 GPRESSURE: 4272600 -76.214 119.515 -97.7453 132.37 -105.075 -150.549 -36.4927 -169.423 180.242 PRESSAVG: 4272600 31.7509 50.658 18.7662 50.6579 -4.76834 -4.50107 18.7662 -4.50104 -23.4132 GPRESSAVG: 4272600 31.5347 48.7615 19.6405 53.4626 -3.91678 -6.0994 19.6822 -4.92426 -23.9231 TIMING: 4272600 CPU: 13560.6, 0.00316113/step Wall: 13560.6, 0.00316113/step, 0.638724 hours remaining, 241.378906 MB of memory in use. ENERGY: 4272600 4044.4501 20271.7259 14532.0090 255.4533 -203414.6964 2596.2013 0.0000 0.0000 51999.1296 -109715.7271 298.8397 -161714.8567 -109345.0830 299.0244 -33.9715 -0.3491 759615.0766 1.1898 1.2316 PRESSURE: 4272800 -39.9765 172.65 -103.968 172.65 105.562 -237.061 -103.968 -237.06 352.655 GPRESSURE: 4272800 -9.41337 116.337 -120.426 212.15 177.536 -113.316 -145.164 -190.932 337.453 PRESSAVG: 4272800 38.4801 9.37846 41.8903 9.37847 -65.0881 7.09221 41.8903 7.09224 7.99873 GPRESSAVG: 4272800 38.2948 10.0896 41.3811 6.79268 -64.2097 7.60041 42.4783 7.03883 7.48398 TIMING: 4272800 CPU: 13561.2, 0.00317668/step Wall: 13561.2, 0.00317668/step, 0.641689 hours remaining, 241.378906 MB of memory in use. ENERGY: 4272800 3989.1550 20460.9590 14525.4305 245.6856 -203292.7120 2626.6988 0.0000 0.0000 51760.0438 -109684.7393 297.4657 -161444.7831 -109329.9733 299.1871 139.4135 168.5253 761204.9813 -6.2031 -6.1436 PRESSURE: 4273000 -259.078 -124.155 314.394 -124.155 -531.078 -54.3939 314.394 -54.3941 -171.479 GPRESSURE: 4273000 -194.445 -68.8617 166.117 -111.509 -483.1 -51.548 257.954 -8.88435 -188.218 PRESSAVG: 4273000 18.1481 31.2826 33.3404 31.2826 0.237646 20.0787 33.3404 20.0786 7.55448 GPRESSAVG: 4273000 18.5025 31.6136 33.125 31.978 -1.33782 19.0634 30.7248 21.5948 8.81472 TIMING: 4273000 CPU: 13561.8, 0.00315388/step Wall: 13561.8, 0.00315388/step, 0.636908 hours remaining, 241.378906 MB of memory in use. ENERGY: 4273000 3984.7345 20531.1232 14454.4176 250.5446 -203348.9005 2439.3372 0.0000 0.0000 52031.8104 -109656.9329 299.0275 -161688.7433 -109306.0243 299.3348 -320.5451 -288.5878 762206.4029 8.6468 8.6598 PRESSURE: 4273200 236.367 -30.4702 230.632 -30.47 197.359 191.102 230.632 191.102 506.194 GPRESSURE: 4273200 259.986 75.6142 279.886 -33.8217 272.65 148.298 310.406 282.675 484.648 PRESSAVG: 4273200 3.62353 -14.0248 -7.21517 -14.0248 -37.5805 7.23258 -7.21517 7.23258 8.92236 GPRESSAVG: 4273200 3.36555 -13.9778 -6.05741 -12.435 -36.6547 8.76713 -3.05506 4.41713 8.45605 TIMING: 4273200 CPU: 13562.5, 0.00316844/step Wall: 13562.5, 0.00316844/step, 0.639672 hours remaining, 241.378906 MB of memory in use. ENERGY: 4273200 4020.4253 20421.2136 14477.9457 239.4808 -203334.2850 2486.0055 0.0000 0.0000 51831.2143 -109857.9997 297.8747 -161689.2140 -109507.1616 298.5015 313.3066 339.0946 758685.0678 -8.3449 -8.2777 PRESSURE: 4273400 295.561 96.9812 21.3605 96.9812 322.522 -105.579 21.3602 -105.58 34.892 GPRESSURE: 4273400 371.098 82.3233 -45.6448 58.2554 353.185 -177.846 -63.8272 -140.265 10.8883 PRESSAVG: 4273400 30.7873 -19.6126 -41.3977 -19.6125 -12.3965 3.25693 -41.3978 3.25692 -28.7075 GPRESSAVG: 4273400 31.1935 -19.8302 -42.469 -21.0866 -13.2607 1.10809 -44.9445 6.16403 -28.0134 TIMING: 4273400 CPU: 13563.1, 0.00317729/step Wall: 13563.1, 0.00317729/step, 0.641282 hours remaining, 241.378906 MB of memory in use. ENERGY: 4273400 3964.8946 20517.1545 14389.9736 259.4074 -203660.6597 2817.9196 0.0000 0.0000 52141.3748 -109569.9351 299.6572 -161711.3099 -109216.7585 298.8532 217.6584 245.0569 759233.3681 -3.4389 -3.3602 PRESSURE: 4273600 -332.967 -13.5939 -150.757 -13.5935 297.466 62.7186 -150.757 62.7161 -152.65 GPRESSURE: 4273600 -277.311 16.2959 -183.228 -5.74785 312.174 61.1214 -34.8238 156.95 -124.245 PRESSAVG: 4273600 -28.9346 -26.7719 -0.779334 -26.7719 -4.11431 26.1921 -0.779357 26.192 17.9541 GPRESSAVG: 4273600 -27.6745 -28.0806 -1.21655 -25.7212 -4.08153 28.3378 1.46171 22.9205 17.0242 TIMING: 4273600 CPU: 13563.7, 0.00316264/step Wall: 13563.7, 0.00316264/step, 0.63815 hours remaining, 241.378906 MB of memory in use. ENERGY: 4273600 3984.1510 20407.0899 14471.1565 280.9206 -203650.0062 2808.7458 0.0000 0.0000 51928.1591 -109769.7833 298.4318 -161697.9424 -109407.8858 298.9341 -62.7169 -29.7942 760970.7321 -5.0316 -4.9106 PRESSURE: 4273800 172.196 -34.7349 93.8583 -34.7348 -59.3107 -83.9715 93.8585 -83.9708 -500.271 GPRESSURE: 4273800 237.983 38.3522 122.575 -15.9609 -37.2552 -3.70419 237.66 -97.1288 -480.082 PRESSAVG: 4273800 -21.9333 0.0829485 -12.5596 0.082997 -2.63195 1.98251 -12.5596 1.98249 -29.4642 GPRESSAVG: 4273800 -22.1276 0.217989 -12.0589 -0.588237 -2.45278 1.22313 -13.2279 4.65655 -29.2268 TIMING: 4273800 CPU: 13564.4, 0.00314536/step Wall: 13564.4, 0.00314536/step, 0.634489 hours remaining, 241.378906 MB of memory in use. ENERGY: 4273800 3952.9407 20388.8078 14451.4304 246.1446 -203687.5185 2842.9531 0.0000 0.0000 52190.5227 -109614.7193 299.9397 -161805.2419 -109246.9354 298.7381 -129.1287 -93.1180 760139.2781 -18.0098 -17.9357 PRESSURE: 4274000 103.352 -64.3835 151.348 -64.3825 232.418 -124.359 151.349 -124.359 -227.778 GPRESSURE: 4274000 140.879 -140.124 107.565 -122.816 176.358 -153.445 135.853 -94.0536 -126.546 PRESSAVG: 4274000 23.1302 -27.9501 20.1016 -27.95 -16.5471 -46.1784 20.1016 -46.1783 7.68688 GPRESSAVG: 4274000 23.5964 -27.0286 20.3245 -28.8003 -17.2073 -45.5388 20.4702 -49.822 8.16917 TIMING: 4274000 CPU: 13565, 0.00313063/step Wall: 13565, 0.00313063/step, 0.631343 hours remaining, 241.378906 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: 4274000 4020.6117 20364.4233 14538.8313 240.4604 -203868.8463 2930.1397 0.0000 0.0000 52133.8680 -109640.5120 299.6141 -161774.3800 -109287.8863 299.4191 35.9973 63.5636 761190.9430 4.7567 4.8528 PRESSURE: 4274200 270.88 -200.753 119.849 -200.752 69.0304 113.08 119.847 113.08 137.554 GPRESSURE: 4274200 197.176 -217.711 201.46 -292.793 246.822 126.903 143.518 -66.0561 107.555 PRESSAVG: 4274200 30.2614 -22.3056 37.5826 -22.3056 -42.6961 -65.5561 37.5826 -65.5562 9.42738 GPRESSAVG: 4274200 29.7688 -25.2948 37.7796 -22.2686 -41.3778 -65.6545 39.3224 -64.4213 8.42111 TIMING: 4274200 CPU: 13565.6, 0.00314506/step Wall: 13565.6, 0.00314506/step, 0.63408 hours remaining, 241.378906 MB of memory in use. ENERGY: 4274200 3956.2449 20383.0265 14518.7314 241.9527 -203613.8883 2551.8752 0.0000 0.0000 52005.7315 -109956.3260 298.8777 -161962.0575 -109600.1520 298.6559 159.1550 183.8506 760092.4884 -1.0025 -1.0626 PRESSURE: 4274400 140.804 -178.082 -92.5515 -178.083 212.726 71.5034 -92.5528 71.5034 551.85 GPRESSURE: 4274400 259.913 -124.517 -39.5794 -35.5909 178.196 68.1646 -132.02 0.916568 556.027 PRESSAVG: 4274400 -29.9768 -4.69862 21.6243 -4.69859 34.9372 -19.0511 21.6243 -19.0512 -5.52395 GPRESSAVG: 4274400 -30.1985 -2.91488 21.6834 -3.02008 34.9408 -18.7249 17.1167 -19.3902 -4.88485 TIMING: 4274400 CPU: 13566.3, 0.0031602/step Wall: 13566.3, 0.0031602/step, 0.636956 hours remaining, 241.378906 MB of memory in use. ENERGY: 4274400 3955.3988 20561.9246 14431.8316 223.9000 -203315.2581 2731.9651 0.0000 0.0000 51917.5076 -109492.7305 298.3706 -161410.2381 -109136.2116 298.7725 301.7930 331.3789 760402.0002 -0.1879 -0.0475 PRESSURE: 4274600 -19.6284 -83.8554 21.0219 -83.8552 323.705 -198.299 21.022 -198.299 -6.72536 GPRESSURE: 4274600 29.3181 -173.501 49.0537 -125.193 361.69 -170.622 125.668 10.4136 -15.7704 PRESSAVG: 4274600 -65.9513 5.98656 -13.824 5.98657 86.9014 -9.28821 -13.824 -9.28817 23.672 GPRESSAVG: 4274600 -65.7321 6.61771 -13.1625 5.19401 85.8928 -9.1202 -12.9485 -7.06293 24.2194 TIMING: 4274600 CPU: 13566.9, 0.00314757/step Wall: 13566.9, 0.00314757/step, 0.634235 hours remaining, 241.378906 MB of memory in use. ENERGY: 4274600 3937.0388 20474.0646 14512.8700 257.2558 -203650.3755 2963.3175 0.0000 0.0000 51982.3662 -109523.4627 298.7434 -161505.8289 -109164.5273 299.2765 99.1171 125.0791 761291.8033 14.8740 14.7934 PRESSURE: 4274800 -355.939 32.964 -52.3086 32.9641 56.2884 243.981 -52.3079 243.981 -105.157 GPRESSURE: 4274800 -356.193 -44.7841 -26.8907 71.587 135.177 167.418 -71.4328 218.497 -87.4587 PRESSAVG: 4274800 -61.3495 17.2394 11.5031 17.2394 11.908 2.75577 11.5031 2.75578 -13.329 GPRESSAVG: 4274800 -61.9921 16.6972 9.20178 17.6175 11.3774 0.145118 13.7079 3.77274 -12.113 TIMING: 4274800 CPU: 13567.5, 0.00313836/step Wall: 13567.5, 0.00313836/step, 0.632206 hours remaining, 241.378906 MB of memory in use. ENERGY: 4274800 4064.7362 20470.0450 14447.9423 250.3701 -203530.3523 2446.4377 0.0000 0.0000 51972.0418 -109878.7792 298.6840 -161850.8210 -109523.7919 298.8365 -134.9358 -102.8247 761419.8492 -20.9235 -20.9092 PRESSURE: 4275000 -114.15 0.803701 -52.5937 0.803635 -484.565 89.1324 -52.5929 89.1321 -212.217 GPRESSURE: 4275000 -213.278 -61.1581 -50.1672 27.8544 -283.626 122.768 -94.8824 159.121 -223.581 PRESSAVG: 4275000 -51.0585 -23.9749 19.3374 -23.9749 66.0513 -14.4409 19.3374 -14.4408 -0.322049 GPRESSAVG: 4275000 -50.2881 -22.6732 21.0467 -23.7923 67.3292 -12.7012 17.3846 -16.3822 -1.57037 TIMING: 4275000 CPU: 13568.1, 0.00312229/step Wall: 13568.1, 0.00312229/step, 0.628795 hours remaining, 241.378906 MB of memory in use. ENERGY: 4275000 3943.6920 20422.9380 14509.5274 257.7569 -203089.5738 2260.3208 0.0000 0.0000 51727.1341 -109968.2046 297.2766 -161695.3388 -109602.2873 298.0937 -270.3106 -240.1619 761744.1013 4.8903 5.1569 PRESSURE: 4275200 -60.5336 52.345 164.866 52.3457 -451.418 20.6848 164.866 20.6841 77.4091 GPRESSURE: 4275200 -15.634 -78.0103 145.586 -13.1631 -419.133 211.727 128.653 -20.1646 76.2023 PRESSAVG: 4275200 32.0723 -60.4516 7.39636 -60.4517 -43.8601 1.71366 7.39636 1.71368 -19.6715 GPRESSAVG: 4275200 31.7725 -62.5618 7.3063 -60.7146 -43.3971 2.36161 7.00843 2.59062 -19.4832 TIMING: 4275200 CPU: 13568.8, 0.00314885/step Wall: 13568.8, 0.00314885/step, 0.633969 hours remaining, 241.378906 MB of memory in use. ENERGY: 4275200 3918.8202 20402.5730 14490.7730 231.3585 -203412.1472 2496.5449 0.0000 0.0000 51727.5866 -110144.4909 297.2792 -161872.0775 -109781.8537 297.6903 -144.8476 -119.5215 761643.8723 -10.4865 -10.3692 PRESSURE: 4275400 -422.991 48.2179 167.978 48.2175 -179.35 46.456 167.977 46.4556 -90.6563 GPRESSURE: 4275400 -375.078 99.954 205.039 76.1242 -179.725 67.5915 204.909 -37.7791 -50.6973 PRESSAVG: 4275400 39.405 -6.83001 9.1392 -6.82994 -55.9854 -25.0473 9.13919 -25.0473 -11.9066 GPRESSAVG: 4275400 39.8328 -6.00956 8.38584 -7.22319 -57.468 -25.8104 10.4368 -24.1868 -11.7981 TIMING: 4275400 CPU: 13569.4, 0.00315773/step Wall: 13569.4, 0.00315773/step, 0.635581 hours remaining, 241.378906 MB of memory in use. ENERGY: 4275400 3956.0879 20474.1392 14440.8416 246.7278 -203378.0762 2415.0622 0.0000 0.0000 51855.4314 -109989.7861 298.0139 -161845.2175 -109627.1872 297.9860 -230.9993 -201.8334 762650.5980 -9.4957 -9.8111 PRESSURE: 4275600 283.851 -267.302 51.9764 -267.303 50.6409 -3.65841 51.9777 -3.65829 72.6917 GPRESSURE: 4275600 294.82 -234.538 45.6975 -151.02 101.956 44.1658 219.238 -71.5127 91.3712 PRESSAVG: 4275600 35.8248 -39.9143 -37.1891 -39.9143 -41.4585 -10.2934 -37.189 -10.2933 24.4716 GPRESSAVG: 4275600 35.4006 -39.8555 -37.2742 -38.426 -41.028 -8.99919 -36.0675 -10.9468 23.2502 TIMING: 4275600 CPU: 13570, 0.00319293/step Wall: 13570, 0.00319293/step, 0.642489 hours remaining, 241.378906 MB of memory in use. ENERGY: 4275600 3877.2167 20393.4809 14489.3108 256.6953 -203551.1015 2568.6955 0.0000 0.0000 51999.4881 -109966.2143 298.8418 -161965.7024 -109597.4933 297.4796 135.7279 162.7156 761878.3036 6.2793 5.8742 PRESSURE: 4275800 48.9297 -50.0532 -258.895 -50.0527 -40.0706 94.1021 -258.895 94.1018 200.21 GPRESSURE: 4275800 98.2315 24.9961 -155.774 -158.039 -68.6413 205.989 -122.151 60.8519 266.635 PRESSAVG: 4275800 3.033 -38.1496 -14.2894 -38.1496 -18.3811 36.1756 -14.2895 36.1755 -21.6793 GPRESSAVG: 4275800 2.58105 -37.7 -14.4501 -40.1752 -18.825 34.4115 -11.9053 37.2496 -21.487 TIMING: 4275800 CPU: 13570.7, 0.00317221/step Wall: 13570.7, 0.00317221/step, 0.638142 hours remaining, 241.378906 MB of memory in use. ENERGY: 4275800 3946.9069 20538.2119 14512.2939 232.3858 -203306.2239 2509.1087 0.0000 0.0000 51688.7643 -109878.5525 297.0560 -161567.3168 -109527.7341 298.2335 69.6897 98.7418 762411.5671 -12.3425 -12.5770 PRESSURE: 4276000 -40.8793 -83.6148 116.253 -83.6155 220.8 23.0591 116.253 23.0593 139.331 GPRESSURE: 4276000 79.8284 52.4863 82.8411 -96.6941 233.85 -35.5005 113.146 -11.1102 98.6925 PRESSAVG: 4276000 7.92481 -31.3246 55.0898 -31.3246 33.5935 -5.84001 55.0898 -5.84008 -6.0152 GPRESSAVG: 4276000 9.1317 -32.6123 54.2841 -32.0676 33.3043 -5.57664 54.4605 -5.64639 -6.48935 TIMING: 4276000 CPU: 13571.3, 0.00314504/step Wall: 13571.3, 0.00314504/step, 0.632503 hours remaining, 241.378906 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: 4276000 3970.7775 20307.9998 14507.5030 249.9822 -203712.3807 2875.1213 0.0000 0.0000 51865.2843 -109935.7126 298.0705 -161800.9969 -109565.6369 297.8245 106.4170 137.4568 760906.3281 11.8344 11.9822 PRESSURE: 4276200 310.63 -40.3681 -67.7115 -40.3676 -2.94907 127.448 -67.7113 127.448 -154.062 GPRESSURE: 4276200 386.35 -50.9247 4.6044 -57.0942 -10.8331 202.168 17.9062 128.479 -146.503 PRESSAVG: 4276200 -34.953 46.5992 22.1974 46.5993 76.1298 -3.73404 22.1974 -3.73406 -27.1231 GPRESSAVG: 4276200 -34.9808 46.9093 24.2307 47.803 75.8653 -2.49421 20.4005 -5.07443 -27.0727 TIMING: 4276200 CPU: 13571.9, 0.00314697/step Wall: 13571.9, 0.00314697/step, 0.632715 hours remaining, 241.378906 MB of memory in use. ENERGY: 4276200 4033.1280 20350.5945 14509.3916 233.8748 -203700.0649 2705.7846 0.0000 0.0000 51911.1423 -109956.1491 298.3340 -161867.2914 -109596.6399 297.9633 51.2062 76.3380 759696.7665 4.6846 4.6039 LDB: ============= START OF LOAD BALANCING ============== 13584.4 LDB: ============== END OF LOAD BALANCING =============== 13584.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13584.4 LDB: ============= START OF LOAD BALANCING ============== 13584.7 LDB: Largest compute 7031 load 0.034517 is 17.7% of average load 0.195443 LDB: Average compute 0.004384 is 2.2% of average load 0.195443 LDB: TIME 13584.7 LOAD: AVG 0.195443 MAX 0.216967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.375 MB LDB: TIME 13584.7 LOAD: AVG 0.195443 MAX 0.216967 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.375 MB LDB: TIME 13584.7 LOAD: AVG 0.195443 MAX 0.216967 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.375 MB LDB: ============== END OF LOAD BALANCING =============== 13584.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13584.7 PRESSURE: 4276400 -410.731 172.961 -59.3764 172.96 -71.3861 -58.5465 -59.376 -58.5466 -233.017 GPRESSURE: 4276400 -454.251 178.718 -68.8662 214.837 31.7231 -30.5444 -136.076 -108.979 -203.245 PRESSAVG: 4276400 16.5781 34.4481 -6.1578 34.4481 10.5947 -7.11412 -6.15775 -7.1141 -3.65116 GPRESSAVG: 4276400 15.8892 35.4589 -7.86364 34.2381 10.866 -7.32226 -4.6121 -8.48743 -3.20955 TIMING: 4276400 CPU: 13572.6, 0.00322224/step Wall: 13572.6, 0.00322224/step, 0.64767 hours remaining, 240.664062 MB of memory in use. ENERGY: 4276400 3946.3781 20548.5021 14469.9930 241.1899 -203120.3086 2248.4758 0.0000 0.0000 51857.6823 -109808.0873 298.0268 -161665.7696 -109440.2053 298.4733 -238.3780 -208.5910 762307.9219 7.8405 7.8485 PRESSURE: 4276600 -114.157 82.9726 97.1834 82.9734 -343.532 95.3676 97.1825 95.3666 89.8443 GPRESSURE: 4276600 -76.2526 -26.3125 58.696 61.4837 -246.552 179.187 -86.1851 121.057 57.653 PRESSAVG: 4276600 13.0135 4.54033 8.9725 4.54026 0.581709 -21.8906 8.97254 -21.8906 8.75683 GPRESSAVG: 4276600 13.0249 1.77024 9.51989 3.84928 0.580438 -21.0776 6.9175 -19.2001 8.78658 TIMING: 4276600 CPU: 13573.2, 0.00317863/step Wall: 13573.2, 0.00317863/step, 0.638727 hours remaining, 240.664062 MB of memory in use. ENERGY: 4276600 3971.8292 20552.3833 14509.0685 244.7463 -203484.1027 2607.0854 0.0000 0.0000 51837.9498 -109761.0401 297.9134 -161598.9899 -109399.1954 298.8271 -122.6148 -88.3840 761376.7703 7.4507 7.4640 PRESSURE: 4276800 104.127 35.6068 -113.11 35.6078 -44.1603 132.207 -113.11 132.205 150.412 GPRESSURE: 4276800 78.3867 55.597 -150.458 -3.5649 12.0144 62.7742 -159.971 186.786 192.362 PRESSAVG: 4276800 52.4386 -5.74483 -20.0517 -5.74481 -56.7007 44.8059 -20.0517 44.8059 8.24096 GPRESSAVG: 4276800 53.1608 -4.20773 -20.6209 -5.89497 -57.7833 42.2757 -20.6318 44.5703 7.67255 TIMING: 4276800 CPU: 13573.8, 0.00317443/step Wall: 13573.8, 0.00317442/step, 0.637707 hours remaining, 240.664062 MB of memory in use. ENERGY: 4276800 3979.1605 20380.0807 14493.8774 246.9189 -203614.7724 2559.2360 0.0000 0.0000 52119.0598 -109836.4392 299.5290 -161955.4991 -109481.0653 298.9792 70.1262 94.2544 761303.2969 1.3263 1.0167 PRESSURE: 4277000 -95.2598 -304.635 43.8308 -304.634 -84.5097 -31.2168 43.8321 -31.2171 -116.312 GPRESSURE: 4277000 -89.5548 -222.114 144.351 -189.2 -93.4873 -63.8485 152.882 -82.1235 -31.3911 PRESSAVG: 4277000 -10.8419 -64.0622 -32.5908 -64.0622 0.975188 14.4278 -32.5908 14.4278 8.76055 GPRESSAVG: 4277000 -12.3798 -63.1222 -32.8805 -62.2916 1.58034 14.3337 -29.3259 13.6102 9.75475 TIMING: 4277000 CPU: 13574.5, 0.00314937/step Wall: 13574.5, 0.00314937/step, 0.632499 hours remaining, 240.664062 MB of memory in use. ENERGY: 4277000 4037.2244 20549.0116 14453.0534 242.9762 -203926.2442 2912.7645 0.0000 0.0000 52003.2202 -109727.9939 298.8632 -161731.2141 -109360.8473 298.7658 -98.6937 -71.4777 762155.8407 -0.3687 -0.3482 PRESSURE: 4277200 244.003 19.3098 -21.8544 19.31 -165.458 -281.839 -21.8541 -281.839 -271.811 GPRESSURE: 4277200 215.904 -12.9134 -38.6043 153.039 -96.4579 -393.777 -119.49 -118.936 -236.066 PRESSAVG: 4277200 11.2041 -67.2131 -6.73637 -67.213 19.5705 -21.0229 -6.73641 -21.023 -2.06439 GPRESSAVG: 4277200 13.0463 -68.5766 -5.64543 -68.479 18.6051 -20.5691 -8.35792 -22.1798 -2.29321 TIMING: 4277200 CPU: 13575.1, 0.00315138/step Wall: 13575.1, 0.00315138/step, 0.632728 hours remaining, 240.664062 MB of memory in use. ENERGY: 4277200 4001.5001 20476.2719 14507.9815 263.6110 -203779.9453 2689.4903 0.0000 0.0000 51989.0493 -109852.0412 298.7818 -161841.0904 -109484.3472 298.8280 -64.4221 -38.8730 761647.2261 9.5700 9.7861 PRESSURE: 4277400 -82.4907 -192.102 289.155 -192.103 -134.59 -22.7789 289.154 -22.778 57.3941 GPRESSURE: 4277400 -157.281 -186.462 379.613 -162.811 -38.1925 -34.9267 66.4953 31.3499 91.0431 PRESSAVG: 4277400 1.84467 -24.7501 -43.5321 -24.7501 -1.37199 -38.6999 -43.5321 -38.6998 22.6015 GPRESSAVG: 4277400 0.695414 -24.0485 -45.0399 -24.8488 0.34709 -37.2791 -43.8159 -38.2762 22.262 TIMING: 4277400 CPU: 13575.7, 0.00316622/step Wall: 13575.7, 0.00316622/step, 0.635531 hours remaining, 240.664062 MB of memory in use. ENERGY: 4277400 3915.9136 20658.7586 14467.3201 248.9856 -203615.3834 2348.8083 0.0000 0.0000 52088.4810 -109887.1160 299.3532 -161975.5971 -109520.5066 298.9505 -53.2289 -34.8101 761113.5166 7.6914 7.7682 PRESSURE: 4277600 -172.487 187.411 -88.2076 187.411 -89.1385 -30.6192 -88.2071 -30.6192 96.5118 GPRESSURE: 4277600 -144.972 205.957 5.11426 122.013 -30.8095 71.5918 -87.7615 -13.3424 112.519 PRESSAVG: 4277600 35.1422 -19.3075 29.0742 -19.3076 -12.7228 0.3767 29.0742 0.376663 1.49853 GPRESSAVG: 4277600 34.4234 -20.6855 31.5167 -19.5973 -12.3547 0.476573 29.7359 -0.667353 1.58954 TIMING: 4277600 CPU: 13576.4, 0.00315967/step Wall: 13576.4, 0.00315967/step, 0.63404 hours remaining, 240.664062 MB of memory in use. ENERGY: 4277600 3901.5267 20489.1802 14502.8512 253.0618 -203730.3185 2564.0996 0.0000 0.0000 52057.5901 -109962.0089 299.1757 -162019.5990 -109591.7182 298.5620 -55.0378 -21.0877 760152.6538 7.9726 7.8861 PRESSURE: 4277800 -82.8679 -223.329 293.735 -223.33 -70.1416 51.4396 293.736 51.4388 50.1578 GPRESSURE: 4277800 47.3375 -310.632 277.757 -239.367 -59.9506 -17.023 218.414 17.2566 3.18061 PRESSAVG: 4277800 1.17332 -55.7724 29.7659 -55.7725 32.7824 -66.7111 29.7658 -66.7111 0.112148 GPRESSAVG: 4277800 1.66609 -55.3255 28.2112 -56.2477 33.0077 -69.0258 28.2 -66.6987 -0.531597 TIMING: 4277800 CPU: 13577, 0.00315836/step Wall: 13577, 0.00315836/step, 0.633601 hours remaining, 240.664062 MB of memory in use. ENERGY: 4277800 3934.9029 20531.0996 14512.4291 230.2812 -203745.5390 2514.2776 0.0000 0.0000 52024.8124 -109997.7363 298.9873 -162022.5487 -109632.8526 298.3737 -34.2839 -3.1442 760074.9242 11.3560 11.3807 PRESSURE: 4278000 10.4516 -6.7284 396.046 -6.72913 -174.937 4.33175 396.046 4.33158 352.363 GPRESSURE: 4278000 24.1435 115.706 410.631 -115.107 -10.3207 -40.3704 316.193 62.6386 260.73 PRESSAVG: 4278000 -20.5201 -69.195 -19.4073 -69.195 27.5413 -6.58895 -19.4073 -6.58895 8.51677 GPRESSAVG: 4278000 -20.3159 -68.1726 -19.5614 -66.4821 27.6528 -5.37173 -20.0288 -5.18542 8.15912 TIMING: 4278000 CPU: 13577.6, 0.00315743/step Wall: 13577.6, 0.00315743/step, 0.63324 hours remaining, 240.664062 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: 4278000 4000.7364 20396.6805 14567.2318 220.1548 -203322.3160 2276.9664 0.0000 0.0000 52036.0877 -109824.4583 299.0521 -161860.5460 -109470.7251 298.5667 62.6258 91.5176 759963.5997 5.1793 5.1654 PRESSURE: 4278200 -219.432 33.9615 72.281 33.9607 -98.3869 -14.2723 72.2814 -14.2723 -577.055 GPRESSURE: 4278200 -187.068 -10.3353 127.163 67.1842 -118.52 -44.9223 137.869 -105.048 -522.738 PRESSAVG: 4278200 17.1117 -48.8445 3.49197 -48.8446 -20.1291 -52.1798 3.49201 -52.1798 8.03627 GPRESSAVG: 4278200 17.9116 -48.8765 6.00347 -49.8086 -22.1721 -51.1783 4.91776 -53.2625 9.01028 TIMING: 4278200 CPU: 13578.3, 0.00314276/step Wall: 13578.3, 0.00314276/step, 0.630123 hours remaining, 240.664062 MB of memory in use. ENERGY: 4278200 4022.2218 20470.4418 14537.1712 263.3099 -203502.6925 2566.6129 0.0000 0.0000 51924.1202 -109718.8148 298.4086 -161642.9350 -109362.4320 298.7132 -298.2912 -276.1087 760808.1774 1.6730 1.5833 PRESSURE: 4278400 -115.061 -85.0306 -263.363 -85.0305 227.244 173.167 -263.362 173.167 -214.742 GPRESSURE: 4278400 -73.4469 -119.511 -181.448 -106.833 235.652 225.282 -257.186 132.933 -172.705 PRESSAVG: 4278400 18.7862 -21.4277 -7.25972 -21.4278 -5.05742 -10.7768 -7.25974 -10.7768 7.8733 GPRESSAVG: 4278400 16.9262 -22.7983 -8.91231 -22.8511 -4.29602 -10.9526 -4.50541 -10.1965 8.91277 TIMING: 4278400 CPU: 13578.9, 0.00315041/step Wall: 13578.9, 0.00315041/step, 0.631483 hours remaining, 240.664062 MB of memory in use. ENERGY: 4278400 3932.8162 20539.8224 14493.5369 234.8214 -203215.0612 2509.1435 0.0000 0.0000 51954.9983 -109549.9226 298.5861 -161504.9209 -109186.9604 299.4090 -34.1860 -3.4999 760359.7031 7.2007 7.1810 PRESSURE: 4278600 -63.9442 35.1088 252.096 35.109 -228.909 -352.014 252.096 -352.014 53.1779 GPRESSURE: 4278600 -6.55324 117.475 265.736 5.4964 -143.849 -345.188 181.502 -437.533 -4.03337 PRESSAVG: 4278600 -30.1721 -46.0905 -2.02788 -46.0905 45.8271 -19.0491 -2.02791 -19.0491 -0.203967 GPRESSAVG: 4278600 -30.6093 -44.2941 -1.00809 -45.8167 46.4501 -19.1622 -4.93302 -16.6789 -0.713734 TIMING: 4278600 CPU: 13579.5, 0.00315332/step Wall: 13579.5, 0.00315332/step, 0.63189 hours remaining, 240.664062 MB of memory in use. ENERGY: 4278600 4082.6125 20615.7438 14492.4434 259.5402 -203429.0163 2703.2461 0.0000 0.0000 51887.7676 -109387.6627 298.1997 -161275.4304 -109027.3289 298.8996 -79.8918 -51.4787 760442.3482 5.1503 5.0424 PRESSURE: 4278800 -220.717 -3.84976 -86.1582 -3.84919 -602.75 -68.9086 -86.158 -68.908 425.55 GPRESSURE: 4278800 -313.272 14.6047 -76.5242 -22.1247 -515.291 -112.214 -108.525 -70.7874 502.586 PRESSAVG: 4278800 27.255 -82.2295 -13.341 -82.2296 -30.8053 -38.4263 -13.341 -38.4264 -2.97767 GPRESSAVG: 4278800 29.1668 -84.0902 -14.0379 -81.566 -31.448 -37.5975 -13.2875 -41.9977 -3.97451 TIMING: 4278800 CPU: 13580.2, 0.00313626/step Wall: 13580.2, 0.00313626/step, 0.628297 hours remaining, 240.664062 MB of memory in use. ENERGY: 4278800 4088.3898 20529.1613 14528.5593 250.1625 -202867.4742 2320.0220 0.0000 0.0000 52123.0669 -109028.1123 299.5520 -161151.1791 -108656.6316 299.9934 -132.6392 -108.6587 760446.0822 -2.1760 -2.0852 PRESSURE: 4279000 -251.969 -120.99 -125.394 -120.989 172.014 52.3779 -125.393 52.3778 49.808 GPRESSURE: 4279000 -234.432 -100.029 -107.806 -11.4715 207.462 109.937 -60.1483 -72.2919 70.1326 PRESSAVG: 4279000 68.3774 -18.2461 47.2826 -18.2461 -40.1734 27.7886 47.2827 27.7886 2.39041 GPRESSAVG: 4279000 68.1919 -15.9808 46.2618 -16.864 -40.0816 25.963 46.9958 29.2976 2.33169 TIMING: 4279000 CPU: 13580.8, 0.00315018/step Wall: 13580.8, 0.00315018/step, 0.630912 hours remaining, 240.664062 MB of memory in use. ENERGY: 4279000 4014.6610 20594.6450 14549.7948 235.7663 -203282.6395 2678.4057 0.0000 0.0000 52205.5120 -109003.8547 300.0258 -161209.3668 -108635.0676 300.0856 -10.0490 14.3875 762140.9975 10.1981 10.1473 PRESSURE: 4279200 -114.872 -69.2357 -20.321 -69.2355 153.45 9.09906 -20.3215 9.09997 146.504 GPRESSURE: 4279200 -102.772 -50.5427 91.6894 -6.17663 229.182 52.3085 47.9826 -16.6101 160.277 PRESSAVG: 4279200 -29.308 -42.5349 15.3232 -42.5349 34.8976 22.893 15.3231 22.893 4.61777 GPRESSAVG: 4279200 -29.8864 -41.4055 14.4387 -45.5225 34.9117 24.7541 16.0269 21.1527 4.638 TIMING: 4279200 CPU: 13581.4, 0.00314863/step Wall: 13581.4, 0.00314863/step, 0.630426 hours remaining, 240.664062 MB of memory in use. ENERGY: 4279200 4049.8782 20444.6990 14430.9539 235.6012 -203144.3553 2830.6480 0.0000 0.0000 52126.1800 -109026.3950 299.5699 -161152.5750 -108675.2850 300.2586 61.6939 95.5622 762749.2339 3.4024 3.2211 PRESSURE: 4279400 193.861 -40.568 197.601 -40.5683 244.907 23.5903 197.6 23.5905 -47.0775 GPRESSURE: 4279400 276.598 13.9532 109.188 -13.5672 333.248 -44.2881 62.5013 59.6112 -133.053 PRESSAVG: 4279400 -26.0567 -37.8233 -25.7931 -37.8233 6.02111 32.4801 -25.7931 32.4801 -17.7795 GPRESSAVG: 4279400 -27.8603 -39.7996 -25.3112 -36.5954 7.62499 31.605 -26.6793 34.4376 -17.3803 TIMING: 4279400 CPU: 13582, 0.00313502/step Wall: 13582, 0.00313502/step, 0.627527 hours remaining, 240.664062 MB of memory in use. ENERGY: 4279400 3954.1568 20484.7382 14581.1916 236.1660 -203058.3824 2747.1594 0.0000 0.0000 51959.4995 -109095.4710 298.6120 -161054.9705 -108732.4158 300.0964 130.5635 158.9311 761948.9397 -12.6051 -12.5386 PRESSURE: 4279600 -108.321 -25.2925 26.9732 -25.2927 -278.352 -99.3364 26.9734 -99.3364 343.835 GPRESSURE: 4279600 -24.1068 107.575 67.543 -9.01018 -221.939 -124.008 42.3569 -0.77751 301.377 PRESSAVG: 4279600 61.4324 10.6595 -12.7702 10.6595 1.30852 48.3714 -12.7703 48.3714 39.1506 GPRESSAVG: 4279600 63.4374 11.8289 -11.1324 10.0459 -0.174293 49.1333 -14.5831 48.3887 38.9521 TIMING: 4279600 CPU: 13582.7, 0.00313728/step Wall: 13582.7, 0.00313728/step, 0.627805 hours remaining, 240.664062 MB of memory in use. ENERGY: 4279600 4033.8819 20459.8848 14587.3210 264.0339 -203476.9021 2487.9836 0.0000 0.0000 52290.9031 -109352.8937 300.5165 -161643.7968 -108978.3261 300.1624 -14.2792 18.4440 759609.2456 33.9638 34.0717 PRESSURE: 4279800 228.114 -46.312 199.38 -46.3123 161.986 -130.611 199.38 -130.611 258.806 GPRESSURE: 4279800 320.98 -50.5364 245.981 -40.9238 192.105 -196.497 218.583 -72.4151 238.521 PRESSAVG: 4279800 -4.45914 -31.8325 -11.2588 -31.8326 -64.8183 61.2459 -11.2588 61.2459 -16.1077 GPRESSAVG: 4279800 -5.30997 -32.1156 -12.404 -31.4643 -64.1554 60.0674 -10.2598 61.0007 -15.9019 TIMING: 4279800 CPU: 13583.3, 0.00316017/step Wall: 13583.3, 0.00316017/step, 0.63221 hours remaining, 240.664062 MB of memory in use. ENERGY: 4279800 4007.7217 20680.2432 14567.3290 256.3083 -203457.8514 2799.2509 0.0000 0.0000 51939.7771 -109207.2213 298.4986 -161146.9983 -108848.0547 299.7272 216.3020 250.5354 760924.4830 -28.4617 -28.4558 PRESSURE: 4280000 -608.954 -101.362 -272.9 -101.361 136.157 -106.599 -272.9 -106.598 295.465 GPRESSURE: 4280000 -451.325 -98.8777 -212.4 -204.421 48.5683 -81.2554 -133.493 40.5738 299.978 PRESSAVG: 4280000 3.35026 -30.6138 28.8845 -30.6139 -0.311096 21.3622 28.8845 21.3622 26.2888 GPRESSAVG: 4280000 5.13206 -30.9225 28.5535 -28.8377 -0.797735 20.9902 30.0103 22.8577 25.1126 TIMING: 4280000 CPU: 13583.9, 0.00314487/step Wall: 13583.9, 0.00314487/step, 0.628975 hours remaining, 240.664062 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: 4280000 3999.1820 20554.8346 14498.0394 254.0890 -203113.3083 2414.8699 0.0000 0.0000 52268.1495 -109124.1438 300.3858 -161392.2933 -108769.7370 299.2136 -59.1108 -34.2596 760943.3054 9.7760 9.8157 PRESSURE: 4280200 158.503 59.2914 210.195 59.2919 -206.089 27.7303 210.196 27.7305 -90.5284 GPRESSURE: 4280200 92.5305 71.6936 285.497 -88.521 -102.637 6.90654 148.421 -11.5679 -55.1389 PRESSAVG: 4280200 -5.41139 -55.7195 32.8577 -55.7195 37.7193 -12.1754 32.8576 -12.1754 -21.3263 GPRESSAVG: 4280200 -5.85972 -54.9891 33.1112 -57.5695 36.5938 -10.4797 33.6472 -13.2749 -20.1078 TIMING: 4280200 CPU: 13584.6, 0.00314669/step Wall: 13584.6, 0.00314669/step, 0.629164 hours remaining, 240.664062 MB of memory in use. ENERGY: 4280200 3976.3436 20632.1069 14572.0823 243.1465 -203031.1956 2369.2581 0.0000 0.0000 52196.7824 -109041.4759 299.9756 -161238.2583 -108684.3836 299.9039 -46.0382 -21.7485 762979.7250 3.6605 3.5421 LDB: ============= START OF LOAD BALANCING ============== 13597 LDB: ============== END OF LOAD BALANCING =============== 13597 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13597 LDB: ============= START OF LOAD BALANCING ============== 13597.3 LDB: Largest compute 7031 load 0.036234 is 18.5% of average load 0.195429 LDB: Average compute 0.004404 is 2.3% of average load 0.195429 LDB: TIME 13597.3 LOAD: AVG 0.195429 MAX 0.215583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 13597.3 LOAD: AVG 0.195429 MAX 0.215583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: TIME 13597.3 LOAD: AVG 0.195429 MAX 0.215583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: ============== END OF LOAD BALANCING =============== 13597.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13597.3 PRESSURE: 4280400 42.6465 -100.203 146.111 -100.203 -10.1337 -22.9887 146.111 -22.9883 153.35 GPRESSURE: 4280400 58.8966 68.0634 105.714 -197.129 38.6803 56.0084 54.3631 -86.4385 198.29 PRESSAVG: 4280400 16.044 -14.1394 -4.71903 -14.1394 -28.6013 27.4856 -4.71902 27.4856 3.06058 GPRESSAVG: 4280400 14.4459 -13.9602 -2.58657 -14.71 -27.7318 27.2123 -6.2669 26.7857 3.15803 TIMING: 4280400 CPU: 13585.2, 0.00322283/step Wall: 13585.2, 0.00322283/step, 0.644207 hours remaining, 242.406250 MB of memory in use. ENERGY: 4280400 4037.8731 20309.0145 14513.8447 242.1314 -203256.1479 2708.7107 0.0000 0.0000 52392.6762 -109051.8973 301.1014 -161444.5735 -108674.4138 299.7822 61.9543 98.6223 762778.8584 -3.1656 -3.3760 PRESSURE: 4280600 -15.0098 -122.637 73.2057 -122.636 65.4395 -302.563 73.2064 -302.564 -286.807 GPRESSURE: 4280600 -21.5903 -188.698 19.989 -206.169 95.2037 -243.377 54.2468 -229.247 -221.967 PRESSAVG: 4280600 20.2084 -65.8579 13.2405 -65.8579 -23.5459 7.2431 13.2405 7.24303 15.2033 GPRESSAVG: 4280600 20.6216 -65.6804 11.751 -66.8044 -22.8583 6.60292 15.1214 7.83327 13.8429 TIMING: 4280600 CPU: 13585.8, 0.00317918/step Wall: 13585.8, 0.00317918/step, 0.635306 hours remaining, 242.609375 MB of memory in use. ENERGY: 4280600 4016.4700 20575.5405 14506.7912 242.7106 -202970.4901 2506.9391 0.0000 0.0000 51962.1304 -109159.9083 298.6271 -161122.0387 -108805.9209 299.8227 -78.7924 -49.4511 762222.4669 3.9553 3.8687 PRESSURE: 4280800 -283.793 -176.18 -76.5831 -176.18 -451.034 -207.131 -76.5828 -207.129 -203.545 GPRESSURE: 4280800 -296.161 -40.8831 -114.458 -219.955 -380.215 -336.218 -75.7301 -83.1089 -172.684 PRESSAVG: 4280800 -0.80444 -101.623 19.7059 -101.623 33.2757 27.6832 19.7058 27.6831 -15.2888 GPRESSAVG: 4280800 -2.76314 -101.576 20.8816 -98.3226 33.834 28.2066 17.7294 26.9966 -14.2333 TIMING: 4280800 CPU: 13586.5, 0.00319065/step Wall: 13586.5, 0.00319065/step, 0.637421 hours remaining, 242.609375 MB of memory in use. ENERGY: 4280800 4108.9417 20490.2520 14547.5008 259.2552 -203137.7760 2522.9010 0.0000 0.0000 52248.9695 -108959.9558 300.2755 -161208.9252 -108601.9167 300.0821 -312.7906 -283.0198 761955.4015 5.7275 5.6126 PRESSURE: 4281000 91.3865 -212.998 103.077 -212.997 -129.76 -50.0431 103.077 -50.0428 287.17 GPRESSURE: 4281000 157.831 -127.461 81.9427 -225.308 -134.056 -84.0896 108.129 -68.659 311.175 PRESSAVG: 4281000 -14.8637 -32.2403 12.4083 -32.2403 11.6932 -16.4615 12.4083 -16.4615 8.88294 GPRESSAVG: 4281000 -12.8915 -30.5682 12.8339 -33.6359 10.1834 -16.8119 11.6812 -14.7891 8.50212 TIMING: 4281000 CPU: 13587.1, 0.00319509/step Wall: 13587.1, 0.00319509/step, 0.638131 hours remaining, 242.609375 MB of memory in use. ENERGY: 4281000 4005.4501 20479.5302 14601.9348 230.7437 -202880.4555 2502.2610 0.0000 0.0000 52228.1838 -108832.3519 300.1561 -161060.5357 -108475.4419 300.0555 82.9322 111.6499 762372.0345 1.9042 1.9313 PRESSURE: 4281200 115.159 -80.3768 -114.605 -80.3761 -111.367 119.113 -114.605 119.114 300.802 GPRESSURE: 4281200 159.14 -59.0916 -33.1358 -132.201 -51.3205 64.6255 -274.764 178.933 281.345 PRESSAVG: 4281200 -50.7304 6.45905 13.9234 6.45906 5.06501 -5.83995 13.9233 -5.83995 4.60552 GPRESSAVG: 4281200 -51.6825 4.48124 12.9755 5.13343 5.27539 -7.67178 15.4187 -8.58497 5.30797 TIMING: 4281200 CPU: 13587.8, 0.00317386/step Wall: 13587.8, 0.00317386/step, 0.633714 hours remaining, 242.609375 MB of memory in use. ENERGY: 4281200 4019.0933 20461.9904 14491.6224 251.3527 -202897.0161 2349.4193 0.0000 0.0000 52445.8313 -108877.7067 301.4069 -161323.5380 -108509.4671 300.5465 101.5314 129.7215 761840.7227 -13.6866 -13.6997 PRESSURE: 4281400 -86.3317 -152.01 -88.0515 -152.009 -156.008 176.196 -88.0516 176.196 72.5676 GPRESSURE: 4281400 -88.8442 -160.085 -117.082 -257.023 -93.2291 140.476 -79.6542 229.77 96.7927 PRESSAVG: 4281400 -10.4215 -59.7549 23.0801 -59.7548 48.7108 21.0053 23.0801 21.0053 -7.49716 GPRESSAVG: 4281400 -10.6988 -59.1685 23.679 -60.0019 49.7323 23.3888 21.5508 20.8373 -7.9715 TIMING: 4281400 CPU: 13588.4, 0.00318077/step Wall: 13588.4, 0.00318077/step, 0.634917 hours remaining, 242.609375 MB of memory in use. ENERGY: 4281400 3936.8219 20522.3153 14531.5543 249.2773 -203038.7181 2442.5845 0.0000 0.0000 52232.7172 -109123.4476 300.1821 -161356.1648 -108752.5976 300.0990 -56.5906 -28.4269 761539.8182 10.2641 10.3540 PRESSURE: 4281600 -259.647 -175.825 -11.8619 -175.825 -3.83634 -206.627 -11.8616 -206.627 259.691 GPRESSURE: 4281600 -241.335 -163.856 -33.2825 -152.986 53.4832 -187.704 -8.4098 -101.045 254.383 PRESSAVG: 4281600 -36.5369 -70.8088 -4.00046 -70.8088 28.098 -5.596 -4.00047 -5.59598 7.08161 GPRESSAVG: 4281600 -36.2441 -72.0476 -6.26859 -69.4252 29.015 -5.26139 -1.96599 -3.50586 5.86578 TIMING: 4281600 CPU: 13589, 0.00316808/step Wall: 13589, 0.00316808/step, 0.632208 hours remaining, 242.609375 MB of memory in use. ENERGY: 4281600 3966.0684 20580.5860 14595.4708 247.6997 -203283.3746 2509.2988 0.0000 0.0000 52169.9942 -109214.2568 299.8217 -161384.2510 -108851.6481 299.9039 -1.2641 22.1768 762241.5043 -0.4524 -0.4544 PRESSURE: 4281800 -400.14 -88.0385 -75.7518 -88.0377 79.0172 -172.857 -75.752 -172.858 -233.508 GPRESSURE: 4281800 -253.743 -136.785 -79.8746 -90.7062 -12.9362 -246.413 61.7837 -151.235 -214.327 PRESSAVG: 4281800 -30.5251 -76.0534 26.4099 -76.0534 34.9324 13.6472 26.4099 13.6472 12.8122 GPRESSAVG: 4281800 -31.4959 -74.2974 27.3957 -75.9415 32.9771 13.434 26.1205 13.3551 15.2671 TIMING: 4281800 CPU: 13589.6, 0.00313889/step Wall: 13589.6, 0.00313889/step, 0.626209 hours remaining, 242.609375 MB of memory in use. ENERGY: 4281800 4038.0083 20453.8450 14530.8375 272.6732 -203221.5467 2319.2945 0.0000 0.0000 52333.7890 -109273.0991 300.7630 -161606.8881 -108906.7231 299.8523 -184.8771 -160.3352 761456.3579 5.7398 5.5828 PRESSURE: 4282000 -140.505 -139.948 60.1787 -139.947 -156.155 -130.264 60.1789 -130.263 374.165 GPRESSURE: 4282000 -111.513 -57.7101 -5.88075 -140.165 -42.123 -112.315 -101.456 -120.346 298.465 PRESSAVG: 4282000 -24.7095 -67.1169 -16.0393 -67.1168 1.06457 37.9824 -16.0393 37.9824 -7.25422 GPRESSAVG: 4282000 -23.3765 -69.2964 -15.6123 -66.6994 2.38101 37.8815 -14.8034 37.1168 -9.89419 TIMING: 4282000 CPU: 13590.3, 0.00315824/step Wall: 13590.3, 0.00315824/step, 0.629893 hours remaining, 242.609375 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: 4282000 4020.2465 20472.6264 14569.6908 251.4315 -203571.5936 2440.7389 0.0000 0.0000 52359.4370 -109457.4227 300.9104 -161816.8596 -109076.4142 299.9073 25.8346 48.2761 761131.6850 -10.2997 -10.2966 PRESSURE: 4282200 253.737 -45.6836 -52.1401 -45.6833 -261.116 149.631 -52.1406 149.632 -178.485 GPRESSURE: 4282200 255.833 36.7353 -104.371 -77.0449 -197.19 154.197 -4.27693 64.8002 -151.712 PRESSAVG: 4282200 -21.5373 -63.8441 7.3606 -63.8441 32.9788 -96.8034 7.36062 -96.8033 -6.51621 GPRESSAVG: 4282200 -21.2503 -63.3658 6.73654 -63.1695 31.1898 -96.6488 6.13946 -96.9092 -5.30246 TIMING: 4282200 CPU: 13590.9, 0.00312714/step Wall: 13590.9, 0.00312714/step, 0.623518 hours remaining, 242.609375 MB of memory in use. ENERGY: 4282200 3941.6226 20548.7155 14541.3076 251.1498 -203458.2280 2716.9018 0.0000 0.0000 52069.7007 -109388.8299 299.2453 -161458.5306 -109033.7027 299.4468 -61.9545 -31.0230 760391.0034 1.6417 1.5457 PRESSURE: 4282400 -240.538 -87.8025 -250.808 -87.8018 92.5226 -44.7771 -250.807 -44.7761 -205.554 GPRESSURE: 4282400 -128.656 -76.5896 -248.034 -91.8148 44.7057 -21.9594 -181.064 -0.718314 -185.974 PRESSAVG: 4282400 -61.2713 -89.7138 -47.0306 -89.7138 44.7103 -48.8993 -47.0306 -48.8994 8.69371 GPRESSAVG: 4282400 -60.016 -88.2458 -45.9814 -91.261 44.1073 -48.7826 -46.3232 -47.8443 8.00438 TIMING: 4282400 CPU: 13591.5, 0.00315122/step Wall: 13591.5, 0.00315122/step, 0.628143 hours remaining, 242.609375 MB of memory in use. ENERGY: 4282400 4009.5616 20519.7321 14540.7832 245.9364 -203627.9281 2878.3312 0.0000 0.0000 52000.7073 -109432.8764 298.8488 -161433.5837 -109070.1927 299.6096 -117.8566 -89.9746 761002.7980 -2.6224 -2.6348 PRESSURE: 4282600 -132.815 -101.18 -81.8499 -101.18 -91.5166 -135.789 -81.8505 -135.79 82.9539 GPRESSURE: 4282600 -124.161 -172.598 -133.567 -143.4 -38.1131 -139.697 41.0966 -129.243 106.241 PRESSAVG: 4282600 -13.7837 -52.9813 -49.5965 -52.9813 25.0361 7.58815 -49.5964 7.58813 -1.81706 GPRESSAVG: 4282600 -14.9533 -56.4017 -49.2586 -51.2094 26.0239 7.41317 -48.1685 7.3081 -1.45996 TIMING: 4282600 CPU: 13592.2, 0.00314454/step Wall: 13592.2, 0.00314454/step, 0.626637 hours remaining, 242.609375 MB of memory in use. ENERGY: 4282600 4015.8752 20460.2862 14655.1884 258.1226 -203314.7638 2475.7291 0.0000 0.0000 52034.2283 -109415.3339 299.0414 -161449.5622 -109053.0345 299.1070 -47.1259 -18.6778 760092.5623 3.1451 3.2035 PRESSURE: 4282800 -308.585 -264.368 -13.7779 -264.369 -388.266 129.027 -13.7781 129.028 107.514 GPRESSURE: 4282800 -369.297 -236.901 145.372 -165.73 -283.633 67.1425 -41.2787 50.1172 171.86 PRESSAVG: 4282800 8.36787 -61.493 64.4941 -61.493 7.03064 -10.5678 64.4941 -10.5678 25.8121 GPRESSAVG: 4282800 7.93302 -59.7427 64.798 -62.7007 7.03428 -10.9906 62.5138 -9.0969 26.2343 TIMING: 4282800 CPU: 13592.8, 0.00317354/step Wall: 13592.8, 0.00317354/step, 0.632239 hours remaining, 242.609375 MB of memory in use. ENERGY: 4282800 4051.1931 20381.4116 14551.1038 255.5864 -203547.3068 2724.4756 0.0000 0.0000 52128.2564 -109455.2799 299.5818 -161583.5363 -109090.4672 299.2109 -196.4456 -160.3566 762129.0124 13.7369 13.7339 PRESSURE: 4283000 -41.1801 -71.3796 -73.3398 -71.3797 400.211 -211.773 -73.3397 -211.773 603.154 GPRESSURE: 4283000 18.1533 -110.929 -44.7494 -29.902 377.74 -248.504 27.7909 -255.616 651.933 PRESSAVG: 4283000 43.3047 -37.9303 -3.57301 -37.9304 -21.2282 -28.064 -3.57306 -28.064 -0.790771 GPRESSAVG: 4283000 44.5732 -40.7524 -3.68333 -35.008 -22.4963 -27.3334 -2.32058 -28.3 -0.775522 TIMING: 4283000 CPU: 13593.4, 0.00316426/step Wall: 13593.4, 0.00316426/step, 0.630214 hours remaining, 242.609375 MB of memory in use. ENERGY: 4283000 4027.6927 20323.9423 14495.1395 242.1645 -203466.3208 2641.5547 0.0000 0.0000 52078.7486 -109657.0786 299.2973 -161735.8271 -109294.5972 299.4780 320.7285 349.2755 761759.1409 7.0952 7.1004 PRESSURE: 4283200 -18.2494 -135.896 -30.3906 -135.897 -25.3509 -212.374 -30.3897 -212.374 -305.12 GPRESSURE: 4283200 43.189 -138.027 -19.9155 -113.743 -18.4161 -204.929 -150.781 -80.0941 -285.162 PRESSAVG: 4283200 -3.27242 -93.2185 57.5473 -93.2185 -18.8926 -29.7951 57.5474 -29.7951 2.30113 GPRESSAVG: 4283200 -4.72176 -89.4833 57.5141 -96.3073 -17.5365 -30.7672 56.5037 -26.6531 2.64474 TIMING: 4283200 CPU: 13594.1, 0.00315076/step Wall: 13594.1, 0.00315076/step, 0.627351 hours remaining, 242.609375 MB of memory in use. ENERGY: 4283200 4072.9405 20354.2689 14510.2469 253.8686 -203319.3736 2618.1952 0.0000 0.0000 51842.7571 -109667.0965 297.9410 -161509.8536 -109303.3407 298.8235 -116.2401 -86.7964 762248.7122 -6.6213 -6.5379 PRESSURE: 4283400 -81.102 -92.5863 50.8095 -92.5858 -224.675 -46.2692 50.8091 -46.2688 37.0772 GPRESSURE: 4283400 -27.663 -4.48755 212.625 -171.795 -252.781 -60.8611 90.5528 8.42456 67.473 PRESSAVG: 4283400 7.30302 -48.1956 -1.87688 -48.1956 -6.21201 -18.9985 -1.87685 -18.9985 -4.09748 GPRESSAVG: 4283400 8.09441 -50.2179 -1.41827 -48.2794 -7.02442 -18.819 -1.37193 -22.0045 -3.71719 TIMING: 4283400 CPU: 13594.7, 0.00315846/step Wall: 13594.7, 0.00315846/step, 0.628709 hours remaining, 242.609375 MB of memory in use. ENERGY: 4283400 4063.8228 20376.3966 14489.6090 253.6020 -203554.9572 2567.2877 0.0000 0.0000 52008.7963 -109795.4428 298.8953 -161804.2391 -109426.2432 298.8887 -89.5665 -70.9903 758692.0258 -1.0022 -0.8824 PRESSURE: 4283600 80.2586 -327.688 -68.1831 -327.689 202.667 -127.962 -68.1825 -127.963 53.9759 GPRESSURE: 4283600 193.141 -308.275 -75.3058 -285.637 191.423 -174.894 40.0385 -180.616 55.3574 PRESSAVG: 4283600 55.5423 -40.2915 7.36333 -40.2914 -48.0092 -20.0925 7.36331 -20.0925 11.5354 GPRESSAVG: 4283600 57.234 -39.5715 6.60198 -37.9496 -48.1779 -20.7588 8.05913 -20.4864 9.88043 TIMING: 4283600 CPU: 13595.3, 0.00316842/step Wall: 13595.3, 0.00316842/step, 0.630516 hours remaining, 242.609375 MB of memory in use. ENERGY: 4283600 3934.9431 20439.2017 14549.4587 238.1597 -203581.9455 2670.5694 0.0000 0.0000 52075.9595 -109673.6534 299.2813 -161749.6130 -109320.2637 298.5437 112.3006 146.6405 757767.5125 6.3562 6.3122 PRESSURE: 4283800 -39.2137 -120.932 69.1079 -120.932 -313.565 -104.134 69.109 -104.132 74.5699 GPRESSURE: 4283800 50.0272 -143.926 37.0275 -25.2805 -418.041 -123.846 49.3877 -7.12436 163.242 PRESSAVG: 4283800 53.3077 -25.9955 53.1874 -25.9955 -23.7753 -44.9886 53.1874 -44.9886 -19.6459 GPRESSAVG: 4283800 51.4722 -27.4585 52.7139 -26.9959 -23.4292 -43.5153 52.1212 -44.9648 -18.5678 TIMING: 4283800 CPU: 13596, 0.00315703/step Wall: 13596, 0.00315703/step, 0.628074 hours remaining, 242.609375 MB of memory in use. ENERGY: 4283800 3931.2767 20504.4348 14524.3211 246.9282 -203072.0679 2254.4726 0.0000 0.0000 52286.5299 -109324.1046 300.4914 -161610.6345 -108958.7310 299.1962 -92.7364 -68.2573 758571.2980 3.2955 3.1584 PRESSURE: 4284000 -244.256 36.2479 -160.973 36.2484 135.736 -147.256 -160.972 -147.256 89.4063 GPRESSURE: 4284000 -194.703 -36.6607 -215.814 54.647 95.1581 -189.864 -246.857 -110.627 171.899 PRESSAVG: 4284000 34.4509 -10.0894 -2.06014 -10.0895 -44.8275 -29.365 -2.06013 -29.365 -2.12313 GPRESSAVG: 4284000 35.1488 -9.96263 -1.57664 -10.755 -46.122 -28.7243 -2.40898 -27.3874 -2.09693 TIMING: 4284000 CPU: 13596.6, 0.0031523/step Wall: 13596.6, 0.0031523/step, 0.626958 hours remaining, 242.609375 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: 4284000 4045.2530 20622.3415 14496.2384 209.0519 -203304.3941 2470.4024 0.0000 0.0000 52093.2249 -109367.8819 299.3805 -161461.1068 -109006.7460 299.8733 -6.3713 24.1182 760937.7229 -4.1666 -4.3567 PRESSURE: 4284200 -114.508 -137.504 -39.9331 -137.504 67.0519 -295.59 -39.9327 -295.589 119.788 GPRESSURE: 4284200 -47.31 -143.08 -134.863 -47.9916 -20.7072 -258.732 1.93169 -312.045 213.891 PRESSAVG: 4284200 50.4263 -5.45507 58.0043 -5.45505 -56.946 8.28269 58.0043 8.28265 2.60164 GPRESSAVG: 4284200 51.3626 -5.105 57.8236 -8.2555 -57.6032 8.25413 58.7169 7.29199 2.27911 TIMING: 4284200 CPU: 13597.2, 0.00314719/step Wall: 13597.2, 0.00314719/step, 0.625767 hours remaining, 242.609375 MB of memory in use. ENERGY: 4284200 3967.4404 20562.6018 14555.6642 260.9028 -203403.2641 2463.5617 0.0000 0.0000 52417.2361 -109175.8572 301.2426 -161593.0933 -108819.0009 300.2534 24.1105 48.6246 761810.4548 -1.3060 -1.3205 LDB: ============= START OF LOAD BALANCING ============== 13609.7 LDB: ============== END OF LOAD BALANCING =============== 13609.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13609.7 LDB: ============= START OF LOAD BALANCING ============== 13610 LDB: Largest compute 7059 load 0.035266 is 18.0% of average load 0.195441 LDB: Average compute 0.004398 is 2.3% of average load 0.195441 LDB: TIME 13610 LOAD: AVG 0.195441 MAX 0.215902 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 13610 LOAD: AVG 0.195441 MAX 0.215902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: TIME 13610 LOAD: AVG 0.195441 MAX 0.215902 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.867 MB LDB: ============== END OF LOAD BALANCING =============== 13610 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13610 PRESSURE: 4284400 -131.5 34.8637 -17.1475 34.8634 36.6367 -75.0926 -17.1472 -75.0933 270.196 GPRESSURE: 4284400 -87.5364 44.9939 -57.3348 52.1398 139.319 -85.2921 -111.71 13.1292 174.726 PRESSAVG: 4284400 25.2439 28.7863 -10.4434 28.7862 -35.2396 -4.00848 -10.4435 -4.00859 -5.7483 GPRESSAVG: 4284400 24.9581 29.2976 -10.4912 31.6094 -32.9069 -3.4533 -11.4741 -7.18686 -7.68039 TIMING: 4284400 CPU: 13597.9, 0.00322594/step Wall: 13597.9, 0.00322594/step, 0.641244 hours remaining, 241.175781 MB of memory in use. ENERGY: 4284400 4001.6449 20717.9064 14569.5730 236.5961 -203619.9548 2814.9530 0.0000 0.0000 52200.0459 -109079.2356 299.9944 -161279.2815 -108716.3328 300.3444 58.4441 75.5029 759998.7667 -5.2480 -5.2097 PRESSURE: 4284600 184.55 -111.732 -26.3662 -111.733 269.435 -200.59 -26.3651 -200.591 -62.9175 GPRESSURE: 4284600 165.548 -108.452 4.87519 -68.3554 303.193 -193.773 -76.7676 -87.5194 0.0759534 PRESSAVG: 4284600 4.71596 -16.1633 9.11081 -16.1633 17.5663 1.67183 9.1108 1.67187 -20.0257 GPRESSAVG: 4284600 5.0502 -14.9888 10.544 -16.9142 15.7398 1.52516 8.86493 6.42513 -18.8476 TIMING: 4284600 CPU: 13598.5, 0.00316428/step Wall: 13598.5, 0.00316428/step, 0.628812 hours remaining, 241.378906 MB of memory in use. ENERGY: 4284600 4005.6924 20660.8539 14555.5592 254.7800 -203720.7221 2912.2224 0.0000 0.0000 52221.2242 -109110.3900 300.1161 -161331.6141 -108740.8506 300.2246 130.3555 156.2721 760349.2117 0.7522 0.6475 PRESSURE: 4284800 -21.1975 9.5529 -227.178 9.55328 34.7588 71.26 -227.177 71.2581 20.6678 GPRESSURE: 4284800 12.4843 -5.30119 -200.924 35.6831 97.4405 7.81634 -235.586 38.7307 15.5427 PRESSAVG: 4284800 -32.2794 -7.08729 20.9283 -7.08731 25.2936 -8.72522 20.9283 -8.72529 -23.0827 GPRESSAVG: 4284800 -32.7889 -7.13832 20.834 -5.88313 26.239 -10.296 20.1286 -9.83437 -23.6909 TIMING: 4284800 CPU: 13599.1, 0.00315701/step Wall: 13599.1, 0.00315701/step, 0.627193 hours remaining, 241.636719 MB of memory in use. ENERGY: 4284800 3949.7285 20314.3776 14541.7685 248.5512 -203341.2494 2740.0800 0.0000 0.0000 52482.4224 -109064.3212 301.6172 -161546.7435 -108682.4672 300.2660 11.4097 41.8225 761946.7020 -10.0228 -10.0803 PRESSURE: 4285000 5.13564 135.549 114.419 135.549 -56.6878 252.637 114.419 252.636 166.756 GPRESSURE: 4285000 101.459 47.2424 179.226 213.26 30.0006 260.43 101.999 213.709 94.0878 PRESSAVG: 4285000 42.7506 28.8889 -24.7365 28.889 -27.5518 -27.2022 -24.7365 -27.2023 17.1219 GPRESSAVG: 4285000 41.4598 27.6841 -24.5348 30.5286 -25.7462 -24.9608 -24.2902 -29.1103 17.0426 TIMING: 4285000 CPU: 13599.8, 0.0031576/step Wall: 13599.8, 0.0031576/step, 0.627133 hours remaining, 241.636719 MB of memory in use. ENERGY: 4285000 4027.0334 20540.5539 14471.3991 258.1245 -203740.9267 3041.5351 0.0000 0.0000 52354.5755 -109047.7052 300.8825 -161402.2807 -108686.7515 300.2703 38.4014 75.1824 761714.5479 10.7736 10.9188 PRESSURE: 4285200 257.025 -23.6907 -258.855 -23.6907 -109.562 112.727 -258.855 112.727 8.44914 GPRESSURE: 4285200 215.682 -1.79101 -234.926 14.4 -97.4097 132.523 -195.08 44.8875 113.586 PRESSAVG: 4285200 -3.5119 14.1722 -9.55671 14.1723 -12.7411 13.1336 -9.55674 13.1336 -0.350657 GPRESSAVG: 4285200 -2.31209 11.8791 -10.9459 14.5942 -14.3418 12.6675 -8.10742 14.2173 -0.0688888 TIMING: 4285200 CPU: 13600.4, 0.00316817/step Wall: 13600.4, 0.00316817/step, 0.629057 hours remaining, 241.636719 MB of memory in use. ENERGY: 4285200 3992.1878 20534.6006 14510.2652 247.9257 -203195.3701 2507.9794 0.0000 0.0000 52300.6993 -109101.7121 300.5728 -161402.4114 -108733.0617 299.3917 51.9708 77.2862 761705.2333 -5.5345 -5.5743 PRESSURE: 4285400 -56.1862 -67.9742 217.636 -67.9737 -328.373 94.1905 217.635 94.1909 35.0514 GPRESSURE: 4285400 -34.1911 67.5773 156.455 -104.284 -235.204 117.484 239.146 -20.8227 12.868 PRESSAVG: 4285400 15.4 12.6558 -7.17879 12.6558 -1.86212 -17.2782 -7.17885 -17.2784 9.67199 GPRESSAVG: 4285400 14.198 14.3582 -7.03401 11.7756 -0.860163 -16.9247 -7.30901 -17.6659 9.86453 TIMING: 4285400 CPU: 13601, 0.00317573/step Wall: 13601, 0.00317573/step, 0.630381 hours remaining, 241.636719 MB of memory in use. ENERGY: 4285400 4033.6796 20651.9645 14565.4755 243.8161 -203337.1125 2542.4220 0.0000 0.0000 52002.9268 -109296.8281 298.8615 -161299.7549 -108931.4022 299.4851 -116.5027 -85.5089 760392.2746 7.7366 7.7341 PRESSURE: 4285600 -183.395 -135.902 -21.0408 -135.903 -85.0361 38.2762 -21.0402 38.2764 115.506 GPRESSURE: 4285600 -103.439 -125.646 31.6912 -42.0394 -110.72 14.2134 -67.289 -26.1746 144.052 PRESSAVG: 4285600 1.97386 -28.3306 -3.85167 -28.3306 15.0738 8.35502 -3.85173 8.35496 15.6316 GPRESSAVG: 4285600 3.07858 -27.8946 -3.98139 -26.9865 14.471 8.08299 -7.35527 11.315 15.4801 TIMING: 4285600 CPU: 13601.7, 0.00316257/step Wall: 13601.7, 0.00316257/step, 0.627595 hours remaining, 241.636719 MB of memory in use. ENERGY: 4285600 4014.6961 20530.4892 14522.6978 230.5742 -203252.3117 2626.4327 0.0000 0.0000 52002.3306 -109325.0910 298.8581 -161327.4216 -108968.2464 299.3804 -50.9748 -23.3689 762191.2202 10.8931 11.0099 PRESSURE: 4285800 120.183 -74.0628 -100.088 -74.0621 -217.441 263.804 -100.088 263.803 333.004 GPRESSURE: 4285800 118.777 -37.7183 -120.484 -62.1867 -101.775 275.109 -63.0148 116.949 305.47 PRESSAVG: 4285800 62.2829 -25.4136 -14.6108 -25.4136 -50.2934 3.18383 -14.6107 3.18383 4.19274 GPRESSAVG: 4285800 61.9847 -25.137 -15.802 -26.3296 -50.3701 1.72474 -11.4744 1.25796 3.53854 TIMING: 4285800 CPU: 13602.3, 0.00315531/step Wall: 13602.3, 0.00315531/step, 0.625979 hours remaining, 241.636719 MB of memory in use. ENERGY: 4285800 4036.7491 20509.9946 14510.1568 251.8486 -203382.2896 2680.3165 0.0000 0.0000 52006.9781 -109386.2460 298.8848 -161393.2241 -109035.1922 299.6463 78.5818 107.4907 759814.5867 5.3941 5.0510 PRESSURE: 4286000 33.5552 -136.003 55.906 -136.003 133.783 145.563 55.9052 145.562 -180.355 GPRESSURE: 4286000 106.605 -203.699 52.6209 -223.057 79.6085 154.799 -68.738 76.2898 -110.135 PRESSAVG: 4286000 18.2998 -17.3887 -56.8145 -17.3887 -0.589806 -17.2738 -56.8146 -17.2739 3.89852 GPRESSAVG: 4286000 19.3732 -15.856 -56.2848 -17.9693 -1.21151 -17.8394 -56.4867 -17.6431 4.29146 TIMING: 4286000 CPU: 13602.9, 0.00314609/step Wall: 13602.9, 0.00314609/step, 0.623974 hours remaining, 241.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4286000 4056.2727 20523.2278 14498.5359 244.2727 -203515.6408 2734.9734 0.0000 0.0000 52403.8689 -109054.4894 301.1658 -161458.3584 -108684.1508 300.1037 -4.3386 25.3596 761133.8987 7.2029 7.4844 PRESSURE: 4286200 -3.21197 27.1823 -84.2142 27.1826 284.123 16.4389 -84.214 16.4385 -53.2452 GPRESSURE: 4286200 4.81889 30.8217 -93.2237 57.1038 390.661 -37.8144 -48.3583 23.9272 -73.8305 PRESSAVG: 4286200 -4.59708 -7.1908 -30.4794 -7.19077 3.66368 4.12007 -30.4795 4.12002 17.7742 GPRESSAVG: 4286200 -5.00169 -10.5156 -30.0486 -7.27048 3.46362 5.59108 -31.8313 3.10038 18.2096 TIMING: 4286200 CPU: 13603.6, 0.00314634/step Wall: 13603.6, 0.00314634/step, 0.623849 hours remaining, 241.636719 MB of memory in use. ENERGY: 4286200 4037.2439 20579.7384 14578.2513 259.8064 -203280.0516 2478.6062 0.0000 0.0000 52132.4370 -109213.9684 299.6058 -161346.4054 -108845.5606 300.3354 75.8887 107.2165 760055.8988 5.6136 5.5572 PRESSURE: 4286400 24.5825 -63.6544 -11.687 -63.6545 -248.009 -47.3052 -11.6877 -47.3053 -102.734 GPRESSURE: 4286400 93.5234 -37.6215 10.0321 -186.322 -238.357 -3.27745 -91.5382 -203.713 -118.128 PRESSAVG: 4286400 30.2586 -2.1446 19.9427 -2.14449 -21.7156 -9.64979 19.9428 -9.64975 -4.78964 GPRESSAVG: 4286400 30.5119 0.000825025 19.8994 -2.65136 -21.6544 -10.1796 22.6817 -7.71242 -5.02097 TIMING: 4286400 CPU: 13604.2, 0.00315676/step Wall: 13604.2, 0.00315676/step, 0.625741 hours remaining, 241.636719 MB of memory in use. ENERGY: 4286400 4065.9362 20516.1100 14544.0845 238.2208 -203494.8313 2609.7565 0.0000 0.0000 52395.2151 -109125.5083 301.1160 -161520.7235 -108760.4227 299.7412 -108.7204 -87.6537 762046.0096 1.2511 1.2789 PRESSURE: 4286600 -90.6132 56.895 72.3972 56.894 -0.282757 79.654 72.3981 79.6545 -50.8088 GPRESSURE: 4286600 -56.8831 42.7749 113.206 38.9187 43.7597 33.1994 10.0216 77.9632 -49.7721 PRESSAVG: 4286600 19.8852 -17.3699 -13.3159 -17.3699 18.1885 -37.8656 -13.3159 -37.8657 18.265 GPRESSAVG: 4286600 18.5706 -20.3272 -13.1671 -16.9189 19.121 -37.2246 -14.4231 -37.9874 18.3858 TIMING: 4286600 CPU: 13604.8, 0.00314409/step Wall: 13604.8, 0.00314409/step, 0.623053 hours remaining, 241.636719 MB of memory in use. ENERGY: 4286600 3986.3494 20594.3000 14460.0544 242.7147 -203064.1625 2596.0676 0.0000 0.0000 52072.5496 -109112.1266 299.2617 -161184.6763 -108752.5730 299.6993 -47.2349 -20.9651 760678.4154 18.7796 18.6925 PRESSURE: 4286800 171.583 -17.4298 117.074 -17.4297 17.8352 -73.8742 117.074 -73.8747 280.368 GPRESSURE: 4286800 159.963 89.0666 150.341 -112.188 88.664 -86.0275 -12.4105 49.5566 303.823 PRESSAVG: 4286800 -26.5946 -3.02743 19.948 -3.02743 10.6062 31.313 19.948 31.313 -12.6383 GPRESSAVG: 4286800 -26.4578 -1.65789 19.0937 -2.26895 11.331 29.3629 20.0937 33.2117 -13.786 TIMING: 4286800 CPU: 13605.4, 0.00313809/step Wall: 13605.4, 0.00313809/step, 0.62169 hours remaining, 241.636719 MB of memory in use. ENERGY: 4286800 4007.1632 20674.6838 14489.9600 248.1191 -203310.3956 2624.0425 0.0000 0.0000 52199.6265 -109066.8005 299.9920 -161266.4270 -108701.8438 300.1237 156.5953 184.1501 761042.6655 -9.5422 -9.6376 PRESSURE: 4287000 -344.96 -53.4843 230.036 -53.4844 366.531 23.0672 230.035 23.0677 88.2238 GPRESSURE: 4287000 -289.418 -95.8481 292.387 -48.274 338.948 67.7707 283.718 50.2934 146.048 PRESSAVG: 4287000 -28.4978 -49.1137 31.8743 -49.1137 14.8429 19.481 31.8743 19.481 -18.3239 GPRESSAVG: 4287000 -27.2962 -48.0045 32.2304 -50.0323 13.6339 21.5558 31.3432 18.075 -18.283 TIMING: 4287000 CPU: 13606.1, 0.00315821/step Wall: 13606.1, 0.00315821/step, 0.625501 hours remaining, 241.636719 MB of memory in use. ENERGY: 4287000 4044.3058 20727.1263 14452.3142 246.8002 -202783.4131 2272.5521 0.0000 0.0000 52078.5306 -108961.7838 299.2960 -161040.3144 -108606.3773 300.0777 36.5982 65.1929 762247.4876 -10.6596 -10.6484 PRESSURE: 4287200 248.762 -77.2446 33.5081 -77.2447 30.6425 -15.7961 33.5077 -15.7958 368.892 GPRESSURE: 4287200 335.586 -48.6866 66.3571 8.22215 58.5864 5.26431 47.4377 22.6379 334.295 PRESSAVG: 4287200 11.7728 -31.505 41.6078 -31.505 -14.441 -8.11929 41.6077 -8.11931 20.7693 GPRESSAVG: 4287200 11.4659 -33.4735 42.0273 -30.3054 -13.8449 -9.52698 44.7244 -9.0096 20.1437 TIMING: 4287200 CPU: 13606.7, 0.00313838/step Wall: 13606.7, 0.00313838/step, 0.6214 hours remaining, 241.636719 MB of memory in use. ENERGY: 4287200 4013.5791 20675.3384 14494.8447 244.3167 -203179.3728 2581.3117 0.0000 0.0000 52131.2361 -109038.7461 299.5989 -161169.9821 -108689.2897 300.4956 216.0990 242.8224 760065.1534 6.0337 5.9216 PRESSURE: 4287400 149.299 54.7862 54.5057 54.7855 -139.37 -100.142 54.5043 -100.143 325.963 GPRESSURE: 4287400 124.584 44.4507 30.9134 10.0607 -103.275 -55.5417 11.9399 2.66302 382.564 PRESSAVG: 4287400 98.0317 -21.66 -14.0849 -21.6601 -101.65 7.01885 -14.0849 7.0189 -2.58137 GPRESSAVG: 4287400 97.4128 -18.739 -14.0201 -23.8914 -101.796 8.08875 -17.8401 7.46164 -2.3551 TIMING: 4287400 CPU: 13607.3, 0.00313661/step Wall: 13607.3, 0.00313662/step, 0.620876 hours remaining, 241.636719 MB of memory in use. ENERGY: 4287400 4100.4257 20711.2853 14459.5188 251.1016 -203641.2877 2809.5716 0.0000 0.0000 52087.7282 -109221.6565 299.3489 -161309.3846 -108854.2154 300.3857 111.9638 134.6243 760559.0598 -2.0666 -2.2462 PRESSURE: 4287600 235.546 57.1251 197.873 57.1256 191.389 317.145 197.874 317.145 -61.4518 GPRESSURE: 4287600 274.825 86.8779 216.241 113.978 213.905 304.765 135.752 310.411 -51.7253 PRESSAVG: 4287600 26.9624 0.42423 52.8027 0.42428 -37.6063 -7.97533 52.8027 -7.97538 1.30208 GPRESSAVG: 4287600 27.9202 -1.14972 53.1185 2.12653 -38.2961 -8.3883 53.5059 -6.46906 1.07033 TIMING: 4287600 CPU: 13608, 0.00314013/step Wall: 13608, 0.00314013/step, 0.621397 hours remaining, 241.636719 MB of memory in use. ENERGY: 4287600 4100.8116 20628.0404 14457.8328 248.3200 -203682.2078 2875.5837 0.0000 0.0000 52175.5049 -109196.1144 299.8533 -161371.6193 -108841.3159 299.9104 121.8275 145.6683 761138.4736 -3.1140 -3.1018 PRESSURE: 4287800 146.992 163.986 60.8599 163.986 3.17169 -32.4046 60.86 -32.4045 241.286 GPRESSURE: 4287800 148.516 69.6231 42.0085 132.959 98.2627 -65.4049 60.114 -35.3835 229.838 PRESSAVG: 4287800 69.1243 20.4536 48.28 20.4535 -43.3105 19.0439 48.2799 19.0439 -1.20606 GPRESSAVG: 4287800 68.0952 22.2926 47.9351 19.9199 -42.648 17.4061 48.5067 17.6169 -1.07633 TIMING: 4287800 CPU: 13608.6, 0.00314119/step Wall: 13608.6, 0.00314119/step, 0.621431 hours remaining, 241.636719 MB of memory in use. ENERGY: 4287800 3992.3710 20753.8662 14424.8649 254.9209 -203535.3121 2743.1982 0.0000 0.0000 51886.3456 -109479.7452 298.1915 -161366.0909 -109111.0699 299.3644 130.4832 158.8721 761650.5064 8.2026 8.1236 PRESSURE: 4288000 174.898 -60.5208 -89.5966 -60.5212 20.7253 -92.8627 -89.5959 -92.8624 -105.416 GPRESSURE: 4288000 155.188 56.6179 -43.7153 29.8783 121.644 -80.8087 63.0396 -104.447 -95.4897 PRESSAVG: 4288000 37.799 25.8643 -16.0238 25.8643 -36.1245 11.273 -16.0238 11.2729 19.0119 GPRESSAVG: 4288000 37.1258 24.0931 -16.6538 27.7222 -36.4613 13.6221 -16.9456 10.4884 19.9423 TIMING: 4288000 CPU: 13609.2, 0.00315542/step Wall: 13609.2, 0.00315542/step, 0.624071 hours remaining, 241.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4288000 4033.6107 20523.4304 14481.5133 221.0469 -203816.6083 2789.0317 0.0000 0.0000 52292.4661 -109475.5091 300.5255 -161767.9753 -109114.8978 298.9068 30.0688 60.4476 759779.1852 6.8954 6.8689 PRESSURE: 4288200 332.242 -129.437 240.995 -129.437 22.5923 127.347 240.995 127.347 170.233 GPRESSURE: 4288200 442.024 -104.978 189.163 -148.612 -9.89949 102.154 225.985 105.852 199.785 PRESSAVG: 4288200 26.1062 -3.28711 9.56105 -3.28712 -42.9742 11.4685 9.56101 11.4684 -5.05444 GPRESSAVG: 4288200 26.5763 -2.59912 9.89038 -5.31498 -42.3752 10.2062 8.27823 12.9253 -6.93343 TIMING: 4288200 CPU: 13609.8, 0.00316018/step Wall: 13609.8, 0.00316018/step, 0.624839 hours remaining, 241.636719 MB of memory in use. ENERGY: 4288200 3976.2597 20522.3932 14595.3850 257.4041 -203710.4263 2744.3036 0.0000 0.0000 52199.4707 -109415.2100 299.9911 -161614.6808 -109047.1736 299.6175 175.0225 210.6363 761356.4426 -7.3075 -7.5775 LDB: ============= START OF LOAD BALANCING ============== 13622.3 LDB: ============== END OF LOAD BALANCING =============== 13622.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13622.3 LDB: ============= START OF LOAD BALANCING ============== 13622.6 LDB: Largest compute 7078 load 0.035727 is 18.3% of average load 0.195493 LDB: Average compute 0.004401 is 2.3% of average load 0.195493 LDB: TIME 13622.6 LOAD: AVG 0.195493 MAX 0.217793 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 13622.6 LOAD: AVG 0.195493 MAX 0.217793 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 13622.6 LOAD: AVG 0.195493 MAX 0.217793 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 13622.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13622.6 PRESSURE: 4288400 -143.247 -175.301 -272.561 -175.301 -95.6908 -135.834 -272.561 -135.835 72.9034 GPRESSURE: 4288400 -118.144 -140.512 -215.399 -167.762 -5.91275 -167.748 -301.823 -84.5071 27.237 PRESSAVG: 4288400 -10.0078 -5.29019 -3.11677 -5.29021 -2.96393 -20.7845 -3.11677 -20.7845 -17.6493 GPRESSAVG: 4288400 -10.6274 -5.11047 -2.37352 -5.77326 -3.26106 -21.0626 -3.47828 -21.8165 -17.296 TIMING: 4288400 CPU: 13610.5, 0.00322872/step Wall: 13610.5, 0.00322872/step, 0.638211 hours remaining, 239.527344 MB of memory in use. ENERGY: 4288400 3966.4747 20702.4566 14486.7307 242.8609 -203671.8955 2622.6662 0.0000 0.0000 52248.7861 -109401.9203 300.2745 -161650.7065 -109037.3997 299.9081 -55.3448 -32.2732 761210.9182 -10.2070 -10.3948 PRESSURE: 4288600 86.7187 -54.8438 154.229 -54.8432 88.8325 -152.633 154.23 -152.634 -219.855 GPRESSURE: 4288600 186.828 -91.345 114.82 -36.8567 52.355 -72.6213 116.145 -83.3301 -203.735 PRESSAVG: 4288600 9.83315 -13.564 -5.78283 -13.564 -36.4902 -20.013 -5.78277 -20.0129 6.66072 GPRESSAVG: 4288600 10.0496 -14.6077 -5.50597 -13.1491 -37.2544 -18.2478 -4.60625 -19.8617 7.52391 TIMING: 4288600 CPU: 13611.1, 0.00317329/step Wall: 13611.1, 0.00317329/step, 0.627077 hours remaining, 239.730469 MB of memory in use. ENERGY: 4288600 4017.2777 20539.6686 14478.1039 254.2769 -203536.7459 2732.8455 0.0000 0.0000 52331.2245 -109183.3488 300.7483 -161514.5733 -108821.6211 299.9221 -14.7678 11.8160 759325.6570 -6.6654 -6.5603 PRESSURE: 4288800 -16.0502 -160.386 -208.787 -160.386 -28.1414 0.91928 -208.786 0.920398 -146.607 GPRESSURE: 4288800 29.1331 -159.875 -287.279 -187.827 -10.7872 59.1105 -93.6819 -61.7252 -136.15 PRESSAVG: 4288800 -33.722 -15.5565 -2.98713 -15.5565 -11.62 1.10172 -2.98708 1.10175 -6.3529 GPRESSAVG: 4288800 -33.5121 -16.0123 -4.18008 -17.1216 -11.5994 2.32063 1.01279 -0.10468 -6.81698 TIMING: 4288800 CPU: 13611.8, 0.00316757/step Wall: 13611.8, 0.00316757/step, 0.625771 hours remaining, 239.730469 MB of memory in use. ENERGY: 4288800 4020.6514 20534.6011 14498.8718 231.7700 -203789.2181 2952.5485 0.0000 0.0000 52240.8587 -109309.9167 300.2289 -161550.7754 -108938.7003 299.6308 -63.5996 -39.2682 761862.7105 -17.2317 -17.3095 PRESSURE: 4289000 -241.691 16.6982 6.58507 16.6974 162.506 94.4579 6.58563 94.4572 -74.6571 GPRESSURE: 4289000 -239.097 -24.8142 20.0409 -1.4267 225.195 96.9236 -27.8883 -48.3727 -73.8618 PRESSAVG: 4289000 28.8384 16.2405 -0.473634 16.2406 14.9903 -5.84604 -0.473627 -5.84602 8.70042 GPRESSAVG: 4289000 28.4119 15.8971 -0.436319 18.6097 16.2146 -6.93244 -3.50292 -4.74935 7.90317 TIMING: 4289000 CPU: 13612.4, 0.00316018/step Wall: 13612.4, 0.00316018/step, 0.624136 hours remaining, 239.730469 MB of memory in use. ENERGY: 4289000 4042.3332 20546.3455 14467.2311 256.2406 -203064.7146 2379.9288 0.0000 0.0000 52122.4987 -109250.1367 299.5487 -161372.6354 -108881.2468 300.3230 -51.2808 -29.2544 760741.8062 17.5097 17.5099 PRESSURE: 4289200 115.482 -368.099 -99.008 -368.099 -438.685 173.257 -99.007 173.255 -385.175 GPRESSURE: 4289200 74.7838 -310.671 -16.2324 -353.633 -387.077 189.231 -103.747 175.039 -320.635 PRESSAVG: 4289200 -38.7053 -52.0669 -16.6624 -52.0668 8.14365 -9.04856 -16.6624 -9.04861 -12.2647 GPRESSAVG: 4289200 -38.6802 -50.4859 -15.4061 -53.2165 5.85589 -9.65253 -17.401 -9.77161 -10.9136 TIMING: 4289200 CPU: 13613, 0.00315057/step Wall: 13613, 0.00315057/step, 0.622063 hours remaining, 239.730469 MB of memory in use. ENERGY: 4289200 3980.8189 20672.1534 14474.7592 265.2941 -203560.2542 2821.9780 0.0000 0.0000 52080.2094 -109265.0412 299.3057 -161345.2506 -108914.1924 300.1319 -236.1259 -210.9761 760362.1601 -14.2755 -14.5793 PRESSURE: 4289400 -117.352 179.045 -6.83917 179.046 -146.687 -90.3518 -6.83868 -90.3521 73.2019 GPRESSURE: 4289400 53.4102 191.578 25.0668 63.5731 -184.33 -110.064 16.3499 -171.627 49.8599 PRESSAVG: 4289400 14.9476 -6.00238 8.26166 -6.00239 -19.34 41.0288 8.26157 41.0288 14.2009 GPRESSAVG: 4289400 15.4037 -6.64308 8.02063 -6.33696 -18.5062 41.5841 8.93213 40.29 12.5992 TIMING: 4289400 CPU: 13613.7, 0.0031669/step Wall: 13613.7, 0.0031669/step, 0.62511 hours remaining, 239.730469 MB of memory in use. ENERGY: 4289400 4057.6480 20683.6029 14460.4758 237.7025 -203656.6614 2869.4629 0.0000 0.0000 52014.4076 -109333.3618 298.9275 -161347.7693 -108972.4196 299.8972 -63.6124 -27.0199 761515.4114 3.2695 3.1656 PRESSURE: 4289600 -11.0082 155.121 148.704 155.121 176.949 164.365 148.703 164.365 190.484 GPRESSURE: 4289600 42.645 130.959 89.5485 139.094 170.298 150.744 87.4255 243.256 209.872 PRESSAVG: 4289600 -28.2146 18.8219 40.7331 18.8219 18.853 18.3933 40.733 18.3933 0.451785 GPRESSAVG: 4289600 -28.7749 17.8687 39.8488 18.9191 19.4286 17.1932 41.8259 19.629 0.18735 TIMING: 4289600 CPU: 13614.3, 0.00316044/step Wall: 13614.3, 0.00316044/step, 0.62366 hours remaining, 239.730469 MB of memory in use. ENERGY: 4289600 3972.7646 20564.1681 14461.1821 228.8282 -203532.9488 2728.8658 0.0000 0.0000 52204.5227 -109372.6172 300.0201 -161577.1399 -109013.5599 299.6015 118.8083 140.9385 761037.7685 -2.9700 -3.0530 PRESSURE: 4289800 26.3203 -85.934 48.0501 -85.9339 -79.6172 50.0073 48.0505 50.0083 -425.876 GPRESSURE: 4289800 -48.6447 -44.7913 13.4951 -157.628 14.8144 -20.7055 91.7169 -129.829 -370.422 PRESSAVG: 4289800 3.11721 29.3229 -21.6426 29.3228 -13.0784 16.2691 -21.6425 16.2692 5.63955 GPRESSAVG: 4289800 3.60273 30.814 -23.051 29.6482 -13.9271 16.2881 -23.0942 16.1127 6.03768 TIMING: 4289800 CPU: 13614.9, 0.00315247/step Wall: 13614.9, 0.00315247/step, 0.621913 hours remaining, 239.730469 MB of memory in use. ENERGY: 4289800 3994.5827 20494.1057 14449.6961 240.2628 -203590.9220 2864.9866 0.0000 0.0000 52194.9247 -109352.3633 299.9649 -161547.2880 -108987.6200 299.6180 -159.7243 -134.7507 761522.1666 -1.4406 -1.4289 PRESSURE: 4290000 -304.802 -171.974 270.034 -171.974 29.4446 -2.29509 270.035 -2.29518 -221.167 GPRESSURE: 4290000 -275.993 -73.5218 198.663 -35.6076 81.4932 19.7589 432.772 -56.2882 -216.597 PRESSAVG: 4290000 -26.1397 -7.42694 42.5543 -7.42697 17.2145 30.2617 42.5542 30.2616 -13.2193 GPRESSAVG: 4290000 -25.952 -8.24083 44.7887 -8.14085 17.6633 29.6057 42.9515 30.2042 -13.9774 TIMING: 4290000 CPU: 13615.5, 0.00313972/step Wall: 13615.5, 0.00313972/step, 0.619223 hours remaining, 239.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 3890.7939 20639.4184 14538.0634 260.9351 -203332.3411 2467.1138 0.0000 0.0000 52384.6473 -109151.3691 301.0553 -161536.0164 -108791.5881 299.8874 -165.5081 -137.0324 761162.0262 -7.3815 -7.4220 PRESSURE: 4290200 97.4326 -1.92024 -22.4469 -1.92015 -132.118 127.008 -22.448 127.008 -177.553 GPRESSURE: 4290200 123.709 -39.2642 -19.8715 -15.6138 -110.877 167.716 12.2744 108.056 -135.338 PRESSAVG: 4290200 32.1638 -43.6912 -5.50548 -43.6912 15.5175 52.5352 -5.5054 52.5351 10.4628 GPRESSAVG: 4290200 32.5149 -42.664 -6.43567 -42.1097 14.5871 53.1523 -3.44781 53.8519 10.5495 TIMING: 4290200 CPU: 13616.2, 0.00314331/step Wall: 13616.2, 0.00314331/step, 0.619755 hours remaining, 239.730469 MB of memory in use. ENERGY: 4290200 4082.1629 20561.1509 14480.5176 229.6718 -203164.5442 2633.7122 0.0000 0.0000 52159.3034 -109018.0254 299.7602 -161177.3288 -108654.4091 300.6846 -70.7462 -40.8356 760239.4205 19.3814 19.2172 PRESSURE: 4290400 16.711 78.0555 -41.6692 78.0561 276.403 99.9124 -41.6702 99.912 246.329 GPRESSURE: 4290400 115.232 89.0644 9.75982 -11.8095 274.115 208.029 -120.671 39.3057 231.784 PRESSAVG: 4290400 -29.5969 -21.2199 6.05703 -21.2198 8.65432 10.0247 6.05703 10.0247 -15.0429 GPRESSAVG: 4290400 -31.077 -21.2859 7.76804 -21.8614 9.90698 11.5907 3.2873 10.4404 -15.0244 TIMING: 4290400 CPU: 13616.8, 0.00313363/step Wall: 13616.8, 0.00313363/step, 0.617673 hours remaining, 239.730469 MB of memory in use. ENERGY: 4290400 4051.3459 20717.3701 14426.6242 245.0222 -203341.5309 2799.3091 0.0000 0.0000 52057.2538 -109044.6055 299.1738 -161101.8594 -108686.0966 300.1700 179.8141 207.0438 761355.4764 -11.9951 -12.0648 PRESSURE: 4290600 128.912 -235.962 245.753 -235.963 -153.014 287.984 245.753 287.984 217.614 GPRESSURE: 4290600 144.759 -123.214 215.332 -238.198 -30.9611 246.374 267.163 255.485 189.361 PRESSAVG: 4290600 22.5984 -20.2722 41.9748 -20.2722 12.1248 58.4435 41.9749 58.4435 -23.0378 GPRESSAVG: 4290600 23.6554 -20.7271 41.6373 -21.6046 11.0118 57.4033 43.3863 56.8221 -22.8127 TIMING: 4290600 CPU: 13617.4, 0.00314608/step Wall: 13617.4, 0.00314608/step, 0.619952 hours remaining, 239.730469 MB of memory in use. ENERGY: 4290600 4008.7115 20505.7286 14458.8455 250.1105 -203428.1949 2856.3029 0.0000 0.0000 52254.3189 -109094.1772 300.3063 -161348.4961 -108736.0510 300.4843 64.5039 101.0527 760607.5618 3.8951 3.9515 PRESSURE: 4290800 -78.7016 -116.067 -115.859 -116.067 -61.6404 -61.3643 -115.858 -61.3626 -277.094 GPRESSURE: 4290800 -119.679 -77.6791 -212.962 -192.95 -31.5155 1.63813 -104.936 -35.8053 -187.709 PRESSAVG: 4290800 20.1361 -50.8762 -44.7235 -50.8762 -2.37126 1.78318 -44.7235 1.78318 17.4178 GPRESSAVG: 4290800 18.936 -50.0033 -45.0184 -50.0858 -1.25698 2.8852 -47.1477 0.629688 17.0598 TIMING: 4290800 CPU: 13618.1, 0.00314328/step Wall: 13618.1, 0.00314328/step, 0.619226 hours remaining, 239.730469 MB of memory in use. ENERGY: 4290800 3941.2415 20493.2621 14547.4975 238.6273 -203059.4390 2497.3235 0.0000 0.0000 52427.4182 -108914.0689 301.3011 -161341.4870 -108554.7021 300.6398 -139.1455 -112.9678 760836.8713 11.7275 11.5796 PRESSURE: 4291000 -127.707 -185.45 133.619 -185.449 223.586 -114.468 133.62 -114.468 197.127 GPRESSURE: 4291000 -79.2326 -202.558 37.7142 -141.187 248.068 -186.208 261.7 -45.3483 195.283 PRESSAVG: 4291000 -12.8222 -31.4534 -27.0474 -31.4533 8.98476 22.7833 -27.0474 22.7832 -17.587 GPRESSAVG: 4291000 -11.5247 -30.599 -29.3068 -31.1378 7.54502 21.4724 -25.8968 25.5556 -17.3641 TIMING: 4291000 CPU: 13618.7, 0.00315499/step Wall: 13618.7, 0.00315499/step, 0.621358 hours remaining, 239.730469 MB of memory in use. ENERGY: 4291000 3990.0150 20615.1465 14492.6834 247.7844 -203010.9457 2452.2089 0.0000 0.0000 52231.0823 -108982.0252 300.1727 -161213.1075 -108629.3362 300.5564 97.6687 121.3730 760353.8407 -7.1415 -7.1146 PRESSURE: 4291200 257.918 -33.0424 -109.679 -33.0425 314.702 370.1 -109.68 370.1 -294.48 GPRESSURE: 4291200 341.535 -83.6717 -76.386 -83.5395 269.609 359.424 -28.5375 245.413 -265.498 PRESSAVG: 4291200 -13.3221 -32.6782 52.2692 -32.6783 6.74713 12.4197 52.2691 12.4196 -0.860831 GPRESSAVG: 4291200 -13.6638 -34.8785 54.1285 -31.2813 6.78399 13.2283 53.5374 10.8757 -0.633725 TIMING: 4291200 CPU: 13619.3, 0.00313405/step Wall: 13619.3, 0.00313404/step, 0.617059 hours remaining, 239.730469 MB of memory in use. ENERGY: 4291200 3970.1977 20757.0549 14526.2184 231.9076 -203493.6238 2742.9983 0.0000 0.0000 52014.0729 -109251.1740 298.9256 -161265.2469 -108891.0561 300.2471 92.7134 115.2152 760825.0972 -2.4786 -2.5045 PRESSURE: 4291400 -36.8328 59.9392 158.319 59.9385 192.505 60.8334 158.319 60.8326 103.375 GPRESSURE: 4291400 -66.7184 41.091 69.8949 -12.8911 253.256 106.83 155.516 29.3634 127.752 PRESSAVG: 4291400 58.8687 6.02699 19.0505 6.02696 -38.9141 50.477 19.0505 50.4769 20.5248 GPRESSAVG: 4291400 58.3735 6.01911 18.6699 6.68613 -39.0862 49.4846 19.2188 50.5733 20.9947 TIMING: 4291400 CPU: 13619.9, 0.00314081/step Wall: 13619.9, 0.00314081/step, 0.618216 hours remaining, 239.730469 MB of memory in use. ENERGY: 4291400 3994.4416 20605.8118 14478.1093 261.5748 -203196.5552 2390.8120 0.0000 0.0000 52148.1823 -109317.6235 299.6963 -161465.8058 -108948.7450 299.5386 86.3492 104.7632 760169.7292 13.4932 13.4273 PRESSURE: 4291600 393.462 164.977 -158.961 164.976 66.1395 45.1212 -158.96 45.1212 396.292 GPRESSURE: 4291600 413.057 139.877 -265.247 196.2 150.279 96.4126 -58.9799 46.5424 362.259 PRESSAVG: 4291600 32.2388 -33.9926 -38.9833 -33.9927 -4.341 95.0992 -38.9832 95.0991 1.2081 GPRESSAVG: 4291600 31.1459 -33.6173 -39.5467 -35.0125 -3.1791 97.5935 -39.7115 95.1867 0.92047 TIMING: 4291600 CPU: 13620.6, 0.00314959/step Wall: 13620.6, 0.00314959/step, 0.619769 hours remaining, 239.730469 MB of memory in use. ENERGY: 4291600 3966.2413 20467.3981 14449.2288 242.9463 -203649.1357 2877.5948 0.0000 0.0000 52266.8596 -109378.8669 300.3784 -161645.7265 -109012.7520 299.4130 285.2978 308.5317 760468.7188 9.7020 9.6291 PRESSURE: 4291800 -236.355 -98.6601 200.029 -98.6608 -369.962 -323.485 200.029 -323.485 -183.569 GPRESSURE: 4291800 -197.85 3.73748 176.709 -168.378 -327.07 -237.762 124.54 -347.853 -171 PRESSAVG: 4291800 11.8134 -17.7803 31.6629 -17.7803 -9.24731 -13.2412 31.663 -13.2411 39.9484 GPRESSAVG: 4291800 13.8536 -18.104 32.6466 -18.4897 -10.4186 -16.1035 31.1415 -10.0407 39.8313 TIMING: 4291800 CPU: 13621.2, 0.00316356/step Wall: 13621.2, 0.00316356/step, 0.622342 hours remaining, 239.730469 MB of memory in use. ENERGY: 4291800 3993.2876 20585.0409 14533.0444 247.0088 -203298.5452 2305.1317 0.0000 0.0000 52203.0753 -109431.9566 300.0118 -161635.0319 -109070.8041 298.9441 -263.2955 -231.9732 762912.7163 14.1715 14.4221 PRESSURE: 4292000 142.216 -30.0435 -182.132 -30.0447 -276.535 114.253 -182.132 114.253 -75.4772 GPRESSURE: 4292000 111.953 -3.61003 -204.54 38.3463 -171.526 87.4833 18.0563 115.064 -62.6708 PRESSAVG: 4292000 -8.12199 -80.7249 9.90211 -80.7249 -8.60421 27.0174 9.90213 27.0174 5.82646 GPRESSAVG: 4292000 -10.4367 -79.2819 9.5102 -80.8157 -6.85742 27.9949 9.23618 24.7394 5.7493 TIMING: 4292000 CPU: 13621.8, 0.00314854/step Wall: 13621.8, 0.00314854/step, 0.619213 hours remaining, 239.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 3937.4321 20486.5503 14430.9421 252.3614 -203363.2206 2580.2775 0.0000 0.0000 52280.8315 -109394.8257 300.4587 -161675.6571 -109025.9750 299.5733 -69.9318 -40.7479 763042.0038 -3.6332 -3.8483 PRESSURE: 4292200 -213.605 -82.6915 120.254 -82.6914 55.5657 -74.5111 120.254 -74.5113 15.0108 GPRESSURE: 4292200 -61.5837 -100.426 118.36 -159.999 75.9687 -98.8333 115.434 -82.134 -39.0608 PRESSAVG: 4292200 46.435 -50.4677 -2.89921 -50.4678 -48.4761 -12.1982 -2.8992 -12.1982 -7.83664 GPRESSAVG: 4292200 47.5065 -53.9321 -3.41056 -50.1354 -49.7249 -13.6106 -0.812014 -12.6699 -7.72247 TIMING: 4292200 CPU: 13622.5, 0.00316946/step Wall: 13622.5, 0.00316946/step, 0.623152 hours remaining, 239.730469 MB of memory in use. ENERGY: 4292200 3994.8787 20546.0538 14467.9767 233.1097 -203409.4267 2727.2127 0.0000 0.0000 52087.1710 -109353.0240 299.3457 -161440.1950 -108994.5240 299.7017 -47.6763 -8.2252 762457.1957 -3.2926 -3.3136 LDB: ============= START OF LOAD BALANCING ============== 13634.9 LDB: ============== END OF LOAD BALANCING =============== 13634.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13634.9 LDB: ============= START OF LOAD BALANCING ============== 13635.2 LDB: Largest compute 7078 load 0.035906 is 18.4% of average load 0.195456 LDB: Average compute 0.004399 is 2.3% of average load 0.195456 LDB: TIME 13635.2 LOAD: AVG 0.195456 MAX 0.222018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 13635.2 LOAD: AVG 0.195456 MAX 0.222018 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 13635.2 LOAD: AVG 0.195456 MAX 0.216621 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 13635.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13635.3 PRESSURE: 4292400 45.7045 32.6373 129.234 32.6376 96.9148 -82.3229 129.235 -82.3223 -330.246 GPRESSURE: 4292400 104.885 6.20876 223.706 30.4257 78.1612 -40.8119 88.4132 40.4181 -298.505 PRESSAVG: 4292400 51.3587 -43.3875 36.7523 -43.3876 -31.4918 22.5262 36.7523 22.5262 10.48 GPRESSAVG: 4292400 50.475 -42.0237 39.2289 -43.5321 -30.0013 22.8411 36.6176 21.987 10.2549 TIMING: 4292400 CPU: 13623.1, 0.00324483/step Wall: 13623.1, 0.00324483/step, 0.637788 hours remaining, 239.835938 MB of memory in use. ENERGY: 4292400 4026.2706 20619.5404 14436.8228 231.0880 -203116.2377 2508.8750 0.0000 0.0000 52028.2082 -109265.4327 299.0068 -161293.6409 -108912.3238 299.0738 -62.5422 -38.4862 761498.1851 10.1156 10.2429 PRESSURE: 4292600 -236.553 -162.22 -182.207 -162.22 -227.482 137.754 -182.207 137.753 -25.5753 GPRESSURE: 4292600 -248.297 -164.417 -230.819 -82.2645 -212.951 162.912 -122.111 160.242 31.2805 PRESSAVG: 4292600 23.0817 -19.0899 17.4752 -19.0898 -16.9 1.6005 17.4752 1.60047 3.84478 GPRESSAVG: 4292600 23.6968 -19.0379 13.5099 -18.2457 -18.928 1.59094 17.8162 5.25138 5.39205 TIMING: 4292600 CPU: 13623.8, 0.00315541/step Wall: 13623.8, 0.00315541/step, 0.620037 hours remaining, 239.835938 MB of memory in use. ENERGY: 4292600 3969.2132 20434.0073 14499.7980 257.2544 -203423.4191 2739.3659 0.0000 0.0000 52357.5164 -109166.2640 300.8994 -161523.7804 -108793.5387 299.7338 -163.2033 -143.3223 760644.0909 3.3422 3.3869 PRESSURE: 4292800 -284.941 -79.978 37.3058 -79.9772 -267.428 -103.984 37.3045 -103.985 170.966 GPRESSURE: 4292800 -301.931 -64.1245 -87.2821 140.123 -118.427 -148.112 105.134 -68.7071 120.711 PRESSAVG: 4292800 -7.04841 -24.9507 29.9299 -24.9507 10.0272 36.5368 29.9299 36.5368 14.4577 GPRESSAVG: 4292800 -8.08418 -24.7158 31.9304 -26.7972 11.6524 37.15 30.5646 34.6205 13.686 TIMING: 4292800 CPU: 13624.4, 0.00313903/step Wall: 13624.4, 0.00313903/step, 0.616644 hours remaining, 239.835938 MB of memory in use. ENERGY: 4292800 4029.7672 20521.5923 14558.2366 220.0836 -203573.3559 2639.3371 0.0000 0.0000 52269.9238 -109334.4154 300.3960 -161604.3392 -108962.8492 300.2518 -127.1344 -99.8825 762802.8030 5.8122 5.7514 PRESSURE: 4293000 -5.03385 -249.28 -158.865 -249.28 11.9868 29.51 -158.865 29.5104 -47.0047 GPRESSURE: 4293000 69.8551 -231.866 -184.838 -69.6126 24.9585 -97.5133 -126.463 14.1133 -60.3503 PRESSAVG: 4293000 -16.0648 -66.6247 -17.8231 -66.6247 0.894214 40.6802 -17.823 40.6801 8.64536 GPRESSAVG: 4293000 -15.1169 -65.6739 -18.7217 -66.1552 -0.375341 41.1193 -17.888 38.8627 8.72869 TIMING: 4293000 CPU: 13625, 0.00313168/step Wall: 13625, 0.00313168/step, 0.615028 hours remaining, 239.835938 MB of memory in use. ENERGY: 4293000 3979.4908 20572.1381 14563.6694 248.5515 -203004.2807 2385.3432 0.0000 0.0000 51966.6831 -109288.4047 298.6532 -161255.0877 -108927.4089 299.6127 -13.3506 11.4878 759416.4994 -2.1751 -2.2545 PRESSURE: 4293200 137.656 -85.2437 48.6654 -85.243 -335.475 -97.6516 48.6653 -97.652 191.058 GPRESSURE: 4293200 82.8393 4.21999 125.918 -82.6368 -142.607 47.8893 -61.1938 -15.5413 156.868 PRESSAVG: 4293200 19.1045 -50.9547 -32.8571 -50.9547 20.6688 -17.878 -32.8571 -17.8781 20.2626 GPRESSAVG: 4293200 19.409 -50.3573 -33.3201 -50.8589 21.7886 -17.2177 -32.3893 -17.9924 19.625 TIMING: 4293200 CPU: 13625.6, 0.00317327/step Wall: 13625.6, 0.00317327/step, 0.623019 hours remaining, 239.835938 MB of memory in use. ENERGY: 4293200 3968.0987 20458.3023 14503.5256 269.4419 -203016.4910 2457.4536 0.0000 0.0000 52145.5473 -109214.1217 299.6812 -161359.6689 -108841.7734 299.5591 -2.2539 32.3671 759722.9344 20.0120 20.2742 PRESSURE: 4293400 174.139 -136.8 -86.9023 -136.801 -232.552 -118.088 -86.9022 -118.089 91.1189 GPRESSURE: 4293400 157.233 -177.29 -98.4868 -212.306 -57.9505 -112.059 -65.9954 30.3806 30.4573 PRESSAVG: 4293400 12.9865 -25.8777 26.7161 -25.8777 19.0087 25.5677 26.7161 25.5676 0.12269 GPRESSAVG: 4293400 13.9986 -27.3203 26.7415 -24.7506 18.5716 23.5116 26.2544 27.8931 0.1756 TIMING: 4293400 CPU: 13626.3, 0.00314472/step Wall: 13626.3, 0.00314472/step, 0.617239 hours remaining, 239.835938 MB of memory in use. ENERGY: 4293400 3971.1131 20594.1136 14554.8241 255.2398 -203320.0422 2573.4875 0.0000 0.0000 52003.0134 -109368.2507 298.8620 -161371.2641 -109009.4287 299.6155 10.9019 43.2467 762050.6972 10.7059 10.9153 PRESSURE: 4293600 -159.374 160.451 94.2889 160.451 194.134 -264.75 94.2885 -264.75 106.712 GPRESSURE: 4293600 -105.919 92.3921 92.6608 176.083 163.343 -315.868 -31.3408 -230.759 142.121 PRESSAVG: 4293600 6.47615 -58.9648 24.4141 -58.9647 7.16988 -33.6792 24.4142 -33.6793 -14.2757 GPRESSAVG: 4293600 4.70924 -57.8708 25.5433 -59.6983 8.02285 -34.4297 24.2213 -35.3266 -13.4204 TIMING: 4293600 CPU: 13626.9, 0.00313948/step Wall: 13626.9, 0.00313948/step, 0.616036 hours remaining, 239.835938 MB of memory in use. ENERGY: 4293600 3988.4973 20703.4497 14550.8496 231.7450 -203471.5658 2574.2938 0.0000 0.0000 52270.7218 -109152.0086 300.4006 -161422.7305 -108798.7620 299.6357 47.1574 66.5147 760529.4446 -0.2099 -0.2294 PRESSURE: 4293800 -330.018 81.4826 42.9827 81.4824 -326.227 125.774 42.9829 125.774 349.447 GPRESSURE: 4293800 -267.483 58.0125 122.219 85.131 -245.112 53.6559 0.320327 131.68 291.811 PRESSAVG: 4293800 -28.6986 -27.5513 -43.499 -27.5514 -12.527 0.275011 -43.499 0.275042 7.43743 GPRESSAVG: 4293800 -27.0337 -28.4723 -44.1683 -29.4533 -13.1323 1.56723 -43.4368 0.281353 6.39794 TIMING: 4293800 CPU: 13627.5, 0.003141/step Wall: 13627.5, 0.003141/step, 0.616159 hours remaining, 239.835938 MB of memory in use. ENERGY: 4293800 3940.5468 20536.0808 14427.8186 248.5852 -203138.3807 2417.1699 0.0000 0.0000 52388.3792 -109179.8001 301.0767 -161568.1794 -108815.2405 300.1614 -102.2660 -73.5946 761686.1386 -11.2627 -11.2560 PRESSURE: 4294000 -11.9307 -18.1913 45.2752 -18.1914 -75.8874 -154.407 45.2748 -154.408 -22.1391 GPRESSURE: 4294000 -36.5157 27.9896 62.1678 -51.5304 -43.1101 -181.38 47.6077 -72.014 78.695 PRESSAVG: 4294000 -31.2689 -55.7142 6.10922 -55.7142 5.46171 -26.7823 6.10923 -26.7823 14.8004 GPRESSAVG: 4294000 -32.4732 -55.1651 6.7363 -55.3243 6.20448 -25.3479 4.96764 -26.6405 15.9372 TIMING: 4294000 CPU: 13628.2, 0.00314681/step Wall: 13628.2, 0.00314681/step, 0.617124 hours remaining, 239.835938 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: 4294000 4042.5803 20452.5546 14499.8061 264.2665 -203155.4192 2483.4512 0.0000 0.0000 52233.3366 -109179.4239 300.1857 -161412.7605 -108811.9734 299.7279 -36.6524 -0.3103 761907.2266 -3.6689 -3.4438 PRESSURE: 4294200 87.594 -17.931 -266.829 -17.9307 31.6987 -81.6107 -266.83 -81.6109 416.837 GPRESSURE: 4294200 75.9259 -6.00871 -216.416 -11.2544 135.916 -51.3952 -208.914 -181.592 407.616 PRESSAVG: 4294200 44.9993 -21.3145 1.89944 -21.3145 1.7541 46.9074 1.89946 46.9075 39.2549 GPRESSAVG: 4294200 44.5457 -20.1652 1.73996 -20.8628 2.06355 45.5124 1.24106 44.9617 39.1206 TIMING: 4294200 CPU: 13628.8, 0.0031757/step Wall: 13628.8, 0.00317571/step, 0.622615 hours remaining, 239.835938 MB of memory in use. ENERGY: 4294200 4032.1148 20563.5195 14432.2342 241.7870 -203445.8785 2541.8377 0.0000 0.0000 52401.9937 -109232.3917 301.1550 -161634.3853 -108872.7408 299.7913 178.7098 206.4859 759687.4835 28.6694 28.5766 PRESSURE: 4294400 -8.48214 108.581 99.4909 108.582 -11.653 -14.3741 99.4896 -14.3729 17.7133 GPRESSURE: 4294400 9.34253 67.9023 120.018 69.8498 35.9283 113.524 179.163 -97.1906 46.9247 PRESSAVG: 4294400 -51.7212 0.919031 -2.91421 0.91907 45.3657 32.6732 -2.91424 32.6732 -7.04892 GPRESSAVG: 4294400 -51.8362 0.164384 -4.26643 1.2369 45.187 33.4277 -0.82548 33.5778 -6.02417 TIMING: 4294400 CPU: 13629.4, 0.00318015/step Wall: 13629.4, 0.00318015/step, 0.62331 hours remaining, 239.835938 MB of memory in use. ENERGY: 4294400 4087.0675 20711.9293 14519.2237 255.3943 -203628.0796 2709.2318 0.0000 0.0000 52285.5112 -109059.7218 300.4856 -161345.2330 -108693.5193 300.1881 -0.8073 30.7319 761037.4958 -4.4681 -4.2244 PRESSURE: 4294600 -26.7794 -237.421 161.089 -237.42 143.722 -202.122 161.089 -202.121 -129.824 GPRESSURE: 4294600 -56.2687 -191.195 176.691 -269.936 211.32 -157.412 0.471319 -176.535 -80.259 PRESSAVG: 4294600 -65.844 -22.9184 -48.2352 -22.9184 24.2897 33.774 -48.2353 33.7741 -23.6514 GPRESSAVG: 4294600 -64.679 -24.3046 -47.601 -22.5516 23.6176 34.5696 -49.6575 33.8823 -24.3272 TIMING: 4294600 CPU: 13630.1, 0.00316277/step Wall: 13630.1, 0.00316277/step, 0.619728 hours remaining, 239.835938 MB of memory in use. ENERGY: 4294600 4108.2893 20656.9451 14462.7386 230.4708 -202700.6289 2135.4157 0.0000 0.0000 52130.3996 -108976.3698 299.5941 -161106.7694 -108616.5633 300.3769 -4.2937 24.9307 760882.7597 -21.7352 -21.7962 PRESSURE: 4294800 204.921 -453.249 -61.7093 -453.248 -117.856 79.9461 -61.7101 79.9466 -170.792 GPRESSURE: 4294800 180.899 -421.463 -167.303 -406.536 16.344 144.443 -177.009 65.0278 -193.081 PRESSAVG: 4294800 -16.3681 -54.1981 -22.0148 -54.1981 10.2383 22.6707 -22.0148 22.6707 17.2081 GPRESSAVG: 4294800 -17.0839 -53.0457 -21.6915 -55.8149 11.6241 21.2521 -23.7443 24.3982 16.8632 TIMING: 4294800 CPU: 13630.7, 0.00317154/step Wall: 13630.7, 0.00317154/step, 0.621269 hours remaining, 239.835938 MB of memory in use. ENERGY: 4294800 4094.5519 20441.7983 14556.0775 242.2084 -203066.9764 2539.7740 0.0000 0.0000 52053.3991 -109139.1671 299.1516 -161192.5662 -108782.7817 299.8920 -27.9090 1.3873 761596.2323 3.6928 3.8012 PRESSURE: 4295000 196.439 65.6616 94.3771 65.6612 -383.024 -168.236 94.3768 -168.236 44.0521 GPRESSURE: 4295000 130.171 62.4369 144.257 71.6876 -266.198 -158.46 161.036 -327.863 68.2843 PRESSAVG: 4295000 -10.1068 -67.3458 -38.6256 -67.3458 2.62455 15.6232 -38.6256 15.6232 -6.98261 GPRESSAVG: 4295000 -10.4765 -68.3794 -38.9232 -65.5285 2.56995 15.8099 -36.3727 14.2876 -7.03727 TIMING: 4295000 CPU: 13631.3, 0.0031628/step Wall: 13631.3, 0.0031628/step, 0.619382 hours remaining, 239.835938 MB of memory in use. ENERGY: 4295000 4010.8444 20511.2216 14578.7936 246.5199 -203615.2699 2846.5581 0.0000 0.0000 52218.3376 -109202.9947 300.0995 -161421.3324 -108840.1544 299.8889 -47.5107 -22.5808 760393.8363 -4.8216 -4.9813 PRESSURE: 4295200 -388.686 -225.103 20.6131 -225.104 -513.696 40.9558 20.6137 40.9559 -396.14 GPRESSURE: 4295200 -373.315 -170.659 4.58568 -114.54 -505.179 -26.7309 -34.7198 3.72535 -329.724 PRESSAVG: 4295200 -38.6642 -28.1073 -1.02783 -28.1072 22.1246 -19.9091 -1.02785 -19.9091 -18.1977 GPRESSAVG: 4295200 -38.8784 -27.7269 -1.41601 -27.3128 21.1926 -17.6593 -3.12499 -20.6945 -17.6131 TIMING: 4295200 CPU: 13632, 0.00316174/step Wall: 13632, 0.00316174/step, 0.618999 hours remaining, 239.835938 MB of memory in use. ENERGY: 4295200 4076.9718 20335.6242 14632.8077 272.9261 -203200.2005 2392.2640 0.0000 0.0000 52285.7418 -109203.8648 300.4869 -161489.6066 -108831.5460 299.9276 -432.8407 -402.7395 763333.3292 -11.5791 -11.7663 PRESSURE: 4295400 2.73734 -2.07447 -326.654 -2.07414 192.648 217.728 -326.654 217.727 111.191 GPRESSURE: 4295400 -5.45868 -54.1649 -264.665 -19.8774 280.648 109.896 -232.182 295.17 101.591 PRESSAVG: 4295400 -39.7371 -25.5012 -14.0615 -25.5012 4.94951 67.3955 -14.0615 67.3955 17.4712 GPRESSAVG: 4295400 -38.8203 -25.4764 -13.6432 -26.4129 4.96369 65.2407 -10.0952 68.9869 16.6008 TIMING: 4295400 CPU: 13632.6, 0.00314795/step Wall: 13632.6, 0.00314795/step, 0.616125 hours remaining, 239.835938 MB of memory in use. ENERGY: 4295400 3890.1106 20454.8237 14617.5365 254.1939 -203475.2525 2773.5667 0.0000 0.0000 52167.7824 -109317.2387 299.8090 -161485.0211 -108951.5518 299.8213 102.1921 125.5935 761744.5640 -5.7721 -5.7519 PRESSURE: 4295600 556.45 -36.1157 -49.9484 -36.1156 332.353 -213.722 -49.949 -213.722 504.519 GPRESSURE: 4295600 574.244 64.0815 -106.311 -133.341 380.094 -162.263 -140.397 -155.824 515.506 PRESSAVG: 4295600 -5.66329 -44.9134 -35.5771 -44.9134 10.7082 -36.0797 -35.577 -36.0798 2.08787 GPRESSAVG: 4295600 -5.81716 -46.6906 -34.2537 -42.9718 10.4955 -36.017 -37.4817 -35.0437 2.33685 TIMING: 4295600 CPU: 13633.2, 0.00314528/step Wall: 13633.2, 0.00314528/step, 0.615426 hours remaining, 239.835938 MB of memory in use. ENERGY: 4295600 3965.6116 20370.3839 14408.3558 262.1200 -204188.1191 3269.4895 0.0000 0.0000 52366.2345 -109545.9238 300.9495 -161912.1583 -109172.0982 299.3282 464.4408 489.9478 759965.0711 2.3776 2.3384 PRESSURE: 4295800 328.919 24.8525 -206.911 24.8515 15.3897 21.7764 -206.911 21.7778 2.68805 GPRESSURE: 4295800 251.979 12.6456 -227.606 84.5921 53.19 57.954 -115.729 -2.45821 99.4865 PRESSAVG: 4295800 -41.2738 25.5311 -33.2715 25.5312 -15.9575 -4.09587 -33.2714 -4.09578 -10.8415 GPRESSAVG: 4295800 -42.8038 26.6138 -35.0408 24.8018 -15.7432 -4.0841 -32.2934 -5.85462 -9.87384 TIMING: 4295800 CPU: 13633.8, 0.00313313/step Wall: 13633.8, 0.00313313/step, 0.612874 hours remaining, 239.835938 MB of memory in use. ENERGY: 4295800 3937.1813 20559.5028 14562.3553 265.4958 -203433.2482 2708.0611 0.0000 0.0000 51820.5079 -109580.1440 297.8132 -161400.6519 -109229.5061 299.2101 115.6656 134.8850 761692.6354 -22.6910 -22.8069 PRESSURE: 4296000 -75.9285 81.6227 -123.736 81.6237 133.506 115.568 -123.736 115.568 -558.658 GPRESSURE: 4296000 -94.6248 32.7469 -150.367 58.8589 126.281 143.334 -78.2954 99.8621 -461.267 PRESSAVG: 4296000 -10.6474 13.1034 -58.698 13.1033 18.2665 21.6282 -58.6979 21.6282 -8.70601 GPRESSAVG: 4296000 -8.53561 12.4844 -56.7373 14.5196 17.2466 22.2372 -58.2025 21.4115 -10.2495 TIMING: 4296000 CPU: 13634.5, 0.00315187/step Wall: 13634.5, 0.00315187/step, 0.616365 hours remaining, 239.835938 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: 4296000 4021.6234 20543.1854 14611.6626 248.9871 -203417.5886 2744.1578 0.0000 0.0000 51708.5365 -109539.4359 297.1697 -161247.9723 -109172.7267 298.5565 -167.0266 -143.2034 762757.3097 -0.3623 -0.5128 PRESSURE: 4296200 -47.7617 135.73 -124.246 135.731 -159.379 -169.142 -124.245 -169.143 145.028 GPRESSURE: 4296200 -31.2668 4.22873 -158.879 110.826 -84.7345 -90.9157 -251.663 -192.516 143.636 PRESSAVG: 4296200 -26.7032 -10.0148 -109.293 -10.0148 84.5473 48.2848 -109.293 48.2848 -16.5897 GPRESSAVG: 4296200 -28.0011 -7.53815 -109.712 -9.7975 85.8081 46.5042 -111.256 49.5972 -16.5718 TIMING: 4296200 CPU: 13635.1, 0.00313324/step Wall: 13635.1, 0.00313324/step, 0.612549 hours remaining, 239.835938 MB of memory in use. ENERGY: 4296200 3992.8387 20617.1843 14490.5045 249.6775 -203245.4224 2516.0138 0.0000 0.0000 51840.4410 -109538.7626 297.9277 -161379.2035 -109184.2685 299.0870 -20.7041 9.2117 761736.5111 13.7515 13.7451 LDB: ============= START OF LOAD BALANCING ============== 13647.6 LDB: ============== END OF LOAD BALANCING =============== 13647.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13647.6 LDB: ============= START OF LOAD BALANCING ============== 13647.9 LDB: Largest compute 7078 load 0.035471 is 18.2% of average load 0.195430 LDB: Average compute 0.004404 is 2.3% of average load 0.195430 LDB: TIME 13647.9 LOAD: AVG 0.19543 MAX 0.215038 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 13647.9 LOAD: AVG 0.19543 MAX 0.215038 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: TIME 13647.9 LOAD: AVG 0.19543 MAX 0.215038 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.441 MB LDB: ============== END OF LOAD BALANCING =============== 13647.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13647.9 PRESSURE: 4296400 -225.546 -326.557 -53.0483 -326.558 128.541 234.459 -53.0484 234.458 38.1886 GPRESSURE: 4296400 -75.4305 -274.471 -159.83 -286.273 100.624 137.066 -99.8009 266.636 -23.0445 PRESSAVG: 4296400 3.50449 0.441346 -30.752 0.441345 33.9449 93.2979 -30.752 93.2979 -8.10334 GPRESSAVG: 4296400 4.68365 -2.61744 -30.753 -0.470735 33.3326 94.3212 -30.9182 93.4695 -8.19687 TIMING: 4296400 CPU: 13635.7, 0.00322689/step Wall: 13635.7, 0.00322689/step, 0.630679 hours remaining, 241.628906 MB of memory in use. ENERGY: 4296400 3930.7336 20615.6856 14620.6311 257.0201 -203521.4358 2677.0033 0.0000 0.0000 52172.3787 -109247.9835 299.8354 -161420.3621 -108886.4184 299.4307 -19.6054 0.7163 761541.6910 9.7820 9.9398 PRESSURE: 4296600 62.6383 83.1024 -58.0873 83.1026 88.869 325.721 -58.0885 325.72 -62.7742 GPRESSURE: 4296600 -6.44719 74.0423 -74.6016 121.966 128.899 329.268 -121.119 234.997 54.8597 PRESSAVG: 4296600 -24.8379 -50.3058 -68.3224 -50.3059 48.7746 23.3452 -68.3225 23.3451 16.6038 GPRESSAVG: 4296600 -25.5806 -48.8861 -70.0672 -49.6985 48.8734 24.0492 -69.3521 23.3182 17.164 TIMING: 4296600 CPU: 13636.4, 0.00313513/step Wall: 13636.4, 0.00313513/step, 0.612569 hours remaining, 241.828125 MB of memory in use. ENERGY: 4296600 3984.5583 20652.5848 14562.7194 261.7913 -203028.2886 2462.9407 0.0000 0.0000 52053.8756 -109049.8185 299.1543 -161103.6941 -108692.3623 299.9652 29.5777 59.1039 762591.5198 13.5135 13.4856 PRESSURE: 4296800 -312 -112.251 165.858 -112.251 -129.235 -278.909 165.858 -278.908 -694.775 GPRESSURE: 4296800 -254.433 -0.306044 225.783 -29.3786 -149.148 -287.406 18.9973 -238.24 -655.808 PRESSAVG: 4296800 -43.3685 -1.20287 -67.0684 -1.20284 56.5702 32.7741 -67.0684 32.7741 -8.30058 GPRESSAVG: 4296800 -43.1464 -0.117211 -66.252 -4.1931 56.5482 33.0768 -65.6708 32.2429 -8.48688 TIMING: 4296800 CPU: 13637, 0.00315824/step Wall: 13637, 0.00315824/step, 0.61691 hours remaining, 241.828125 MB of memory in use. ENERGY: 4296800 4084.2486 20497.7654 14504.1990 243.6848 -203020.1804 2467.4467 0.0000 0.0000 52122.0424 -109100.7936 299.5461 -161222.8360 -108740.2819 300.0884 -378.6701 -353.1300 762306.6999 1.6337 1.6383 PRESSURE: 4297000 -241.994 -47.5466 140.514 -47.5467 17.099 67.5421 140.514 67.5419 -553.167 GPRESSURE: 4297000 -204.401 -26.4523 126.075 -172.877 38.5058 81.2445 161.692 64.6288 -526.695 PRESSAVG: 4297000 32.5604 23.9767 9.55433 23.9767 14.1357 13.2135 9.55434 13.2135 1.35134 GPRESSAVG: 4297000 32.8591 23.0918 10.9356 25.3518 12.9201 13.0904 10.3395 13.7455 2.35753 TIMING: 4297000 CPU: 13637.6, 0.00314841/step Wall: 13637.6, 0.00314841/step, 0.614815 hours remaining, 241.828125 MB of memory in use. ENERGY: 4297000 3994.2578 20425.6035 14412.9582 234.6343 -203563.4945 2687.5388 0.0000 0.0000 52439.7814 -109368.7205 301.3721 -161808.5019 -108995.7450 300.0051 -259.3539 -230.8634 762517.7567 16.0158 16.0456 PRESSURE: 4297200 -86.5734 -67.7509 44.9753 -67.7509 -135.363 0.719731 44.9761 0.720161 -243.988 GPRESSURE: 4297200 -130.55 -138.933 33.2582 -18.2327 -38.9452 7.73609 78.152 -24.9141 -215.093 PRESSAVG: 4297200 2.99458 -22.7828 -42.7297 -22.7828 -10.6302 -1.30243 -42.7297 -1.30241 29.8305 GPRESSAVG: 4297200 2.09979 -22.3264 -43.996 -22.7569 -9.66066 -2.35118 -43.5156 -2.68898 29.1149 TIMING: 4297200 CPU: 13638.3, 0.00313606/step Wall: 13638.3, 0.00313606/step, 0.612229 hours remaining, 241.828125 MB of memory in use. ENERGY: 4297200 4033.7389 20619.9743 14456.7127 245.2158 -203372.6537 2597.3206 0.0000 0.0000 51900.4893 -109519.2021 298.2728 -161419.6914 -109156.8969 298.7144 -155.3082 -128.1961 761883.9787 7.3983 7.1847 PRESSURE: 4297400 73.169 -53.8823 -68.1816 -53.8826 -185.077 -8.49498 -68.1802 -8.49479 185.559 GPRESSURE: 4297400 48.7081 73.2308 -9.58561 134.145 -40.8439 -19.141 -52.6399 -91.9738 163.84 PRESSAVG: 4297400 -2.60658 21.6622 2.27853 21.6622 21.0773 27.1357 2.27845 27.1358 26.9511 GPRESSAVG: 4297400 -2.84619 20.4824 1.78335 24.1792 21.2085 27.3361 4.52483 28.6803 27.1843 TIMING: 4297400 CPU: 13638.9, 0.00313214/step Wall: 13638.9, 0.00313214/step, 0.611289 hours remaining, 241.828125 MB of memory in use. ENERGY: 4297400 4055.6620 20596.3404 14501.4025 252.4477 -204190.3150 3174.0378 0.0000 0.0000 52247.7862 -109362.6383 300.2687 -161610.4246 -109002.0995 299.5966 24.5502 57.2348 761025.3883 15.1406 15.1822 PRESSURE: 4297600 -157.682 -79.7702 38.5474 -79.7716 -116.995 120.168 38.5481 120.168 200.6 GPRESSURE: 4297600 -46.6301 -94.0066 22.6586 -68.7551 -169.547 81.3907 38.7326 167.752 214.151 PRESSAVG: 4297600 -17.7979 7.42505 6.27881 7.42503 -6.58544 0.0174558 6.27879 0.0175203 4.22733 GPRESSAVG: 4297600 -16.3609 8.8783 6.12365 5.19739 -8.34564 -0.460644 5.91061 -0.775412 4.03337 TIMING: 4297600 CPU: 13639.5, 0.00315623/step Wall: 13639.5, 0.00315623/step, 0.615815 hours remaining, 241.828125 MB of memory in use. ENERGY: 4297600 3934.9462 20499.4460 14527.7558 236.6266 -203781.6231 2991.4219 0.0000 0.0000 52169.7520 -109421.6746 299.8203 -161591.4266 -109052.4857 299.6117 -24.6923 -0.6756 761646.5736 -6.7187 -6.8910 PRESSURE: 4297800 -246.063 -262.389 64.6916 -262.389 -492.756 15.9189 64.6905 15.9188 -172.191 GPRESSURE: 4297800 -174.214 -264.251 4.50993 -298.019 -438.412 67.3786 117.799 127.712 -218.165 PRESSAVG: 4297800 11.4529 -36.8298 -13.3157 -36.8298 16.5835 26.9383 -13.3158 26.9383 22.635 GPRESSAVG: 4297800 11.4857 -35.9154 -13.2417 -35.7635 16.6983 26.9118 -16.6871 28.3226 22.8213 TIMING: 4297800 CPU: 13640.2, 0.00316722/step Wall: 13640.2, 0.00316722/step, 0.617784 hours remaining, 241.828125 MB of memory in use. ENERGY: 4297800 4012.5426 20664.0988 14485.6112 251.1958 -202951.3337 2226.2724 0.0000 0.0000 52074.5096 -109237.1033 299.2729 -161311.6128 -108877.6723 299.4548 -303.6701 -276.9303 763564.4599 16.8905 17.0017 PRESSURE: 4298000 171.068 -157.119 -133.459 -157.119 180.623 -95.6839 -133.458 -95.6841 62.4879 GPRESSURE: 4298000 151.52 -145.991 -76.2625 -132.274 238.374 -76.4912 -90.7479 -111.156 110.658 PRESSAVG: 4298000 -49.1911 -23.3378 16.1901 -23.3378 40.6679 17.1316 16.1901 17.1317 -1.99784 GPRESSAVG: 4298000 -50.2915 -24.1145 17.5272 -24.2161 42.9165 18.9944 18.5743 16.6327 -2.3429 TIMING: 4298000 CPU: 13640.8, 0.00314505/step Wall: 13640.8, 0.00314505/step, 0.613285 hours remaining, 241.828125 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: 4298000 4015.2282 20492.3251 14468.6732 241.2587 -203357.6893 2838.6752 0.0000 0.0000 51906.5221 -109395.0067 298.3075 -161301.5288 -109031.7466 299.4913 138.0594 166.8504 761073.1665 -3.5070 -3.2393 PRESSURE: 4298200 -77.9906 -55.6878 168.123 -55.6892 105.634 103.059 168.122 103.06 22.1951 GPRESSURE: 4298200 -5.17304 -133.899 223.821 -89.176 78.3569 107 62.3802 245.034 54.2296 PRESSAVG: 4298200 14.7571 31.3777 -6.17842 31.3778 -2.0994 47.2589 -6.17837 47.2588 -4.61032 GPRESSAVG: 4298200 14.3746 29.6392 -6.80977 34.8959 -2.43695 46.5726 -6.88996 47.4568 -4.30191 TIMING: 4298200 CPU: 13641.4, 0.00313559/step Wall: 13641.4, 0.00313559/step, 0.611266 hours remaining, 241.828125 MB of memory in use. ENERGY: 4298200 3976.0556 20404.3775 14512.7839 252.5421 -203540.3326 2946.2713 0.0000 0.0000 52299.2249 -109149.0773 300.5644 -161448.3022 -108783.4687 299.5424 16.6130 42.4712 761700.7101 2.6825 2.5452 PRESSURE: 4298400 81.1321 -26.3697 166.995 -26.3701 293.753 249.547 166.995 249.547 -171.898 GPRESSURE: 4298400 36.3106 -68.456 221.852 28.035 369.866 96.319 79.2758 313.4 -117.628 PRESSAVG: 4298400 -29.5885 11.914 33.6655 11.9141 19.3721 58.3749 33.6656 58.3749 -13.3154 GPRESSAVG: 4298400 -29.7991 13.1665 34.3743 9.07966 18.9034 57.647 32.6 57.1258 -12.8082 TIMING: 4298400 CPU: 13642, 0.00313716/step Wall: 13642, 0.00313716/step, 0.611398 hours remaining, 241.828125 MB of memory in use. ENERGY: 4298400 3922.0195 20588.5188 14432.6997 237.3967 -203649.9606 2865.2443 0.0000 0.0000 52283.5933 -109320.4883 300.4745 -161604.0816 -108955.5017 299.9645 67.6624 96.1827 762261.2347 -7.8439 -7.9013 PRESSURE: 4298600 -235.689 -37.6222 36.4901 -37.6224 -66.3973 -19.7 36.4901 -19.6994 38.7206 GPRESSURE: 4298600 -212.999 59.656 112.797 93.6038 -48.7501 -50.5292 25.7418 -54.838 66.5664 PRESSAVG: 4298600 -17.6847 -6.23388 -23.7911 -6.23382 9.3892 46.1809 -23.791 46.1808 9.40448 GPRESSAVG: 4298600 -16.2302 -5.67459 -24.3754 -6.62256 9.36712 46.3641 -21.9709 48.5818 8.16978 TIMING: 4298600 CPU: 13642.7, 0.00313301/step Wall: 13642.7, 0.00313301/step, 0.610415 hours remaining, 241.828125 MB of memory in use. ENERGY: 4298600 3973.3131 20562.9930 14398.1516 237.2548 -203036.0464 2469.5533 0.0000 0.0000 51806.9277 -109587.8530 297.7351 -161394.7807 -109221.6735 299.0816 -87.7885 -65.0607 761829.9861 0.3697 0.4356 PRESSURE: 4298800 -529.63 72.2395 -29.7719 72.2384 -284.475 -0.550232 -29.7715 -0.550908 -7.36871 GPRESSURE: 4298800 -569.599 85.5575 17.3339 50.3544 -207.959 -8.22676 86.7928 -96.0556 34.0639 PRESSAVG: 4298800 -8.01208 33.406 54.0412 33.4061 -20.3038 50.2188 54.0413 50.2188 8.84898 GPRESSAVG: 4298800 -7.58549 34.2499 55.6528 33.4123 -21.0132 51.8056 53.4226 47.7878 9.13214 TIMING: 4298800 CPU: 13643.3, 0.00313091/step Wall: 13643.3, 0.00313091/step, 0.609832 hours remaining, 241.828125 MB of memory in use. ENERGY: 4298800 4060.5387 20355.9492 14460.6789 263.3250 -203414.2944 2531.6620 0.0000 0.0000 52184.1783 -109557.9623 299.9032 -161742.1406 -109191.0662 298.9823 -273.8245 -247.8315 762763.3789 -6.4889 -6.4889 PRESSURE: 4299000 83.3995 88.7714 181.074 88.7718 1.00816 -100.363 181.074 -100.363 167.888 GPRESSURE: 4299000 80.8131 64.6076 183.99 40.9366 -24.3734 -62.0816 26.4644 9.76004 270.365 PRESSAVG: 4299000 5.92866 -13.4684 69.5893 -13.4685 -6.12385 36.9998 69.5894 36.9998 -17.2015 GPRESSAVG: 4299000 3.37081 -14.0291 69.6288 -14.8351 -5.03142 37.5213 68.8935 36.7024 -15.9009 TIMING: 4299000 CPU: 13643.9, 0.00313957/step Wall: 13643.9, 0.00313957/step, 0.611344 hours remaining, 241.828125 MB of memory in use. ENERGY: 4299000 3990.3594 20454.4129 14428.0189 248.5905 -203314.3786 2702.0587 0.0000 0.0000 51807.7420 -109683.1963 297.7398 -161490.9383 -109324.4211 298.6947 84.0985 108.9348 761716.2637 -5.7989 -5.8539 PRESSURE: 4299200 -178.739 -42.653 -147.066 -42.6536 -162.581 129.16 -147.067 129.159 40.6404 GPRESSURE: 4299200 -96.6946 -88.765 -146.444 92.4537 -136.86 85.5998 -152.172 168.264 -2.41479 PRESSAVG: 4299200 52.7345 25.6717 68.655 25.6717 -57.9905 -0.0369298 68.6551 -0.0370084 -15.1584 GPRESSAVG: 4299200 53.2893 24.5899 67.8326 28.4239 -56.9521 -2.70991 68.9462 1.96339 -16.1934 TIMING: 4299200 CPU: 13644.5, 0.00315103/step Wall: 13644.5, 0.00315103/step, 0.613401 hours remaining, 241.828125 MB of memory in use. ENERGY: 4299200 3916.7415 20334.0421 14500.7615 239.5521 -203561.9551 2783.3804 0.0000 0.0000 52135.0921 -109652.3854 299.6211 -161787.4775 -109270.6286 299.0458 -100.2266 -78.6565 760361.8234 -6.8048 -6.6187 PRESSURE: 4299400 -230.852 -66.6287 -6.54453 -66.6289 65.2032 -252.653 -6.54419 -252.653 -272.075 GPRESSURE: 4299400 -144.707 -62.2079 8.79567 -76.5697 -21.2039 -340.722 108.522 -241.8 -188.292 PRESSAVG: 4299400 64.647 4.95749 43.5579 4.95751 -53.9589 10.4272 43.5579 10.4272 -14.0965 GPRESSAVG: 4299400 65.8632 7.61316 43.0743 2.53604 -55.4859 12.1418 45.4534 8.44908 -14.042 TIMING: 4299400 CPU: 13645.2, 0.00314625/step Wall: 13645.2, 0.00314625/step, 0.612296 hours remaining, 241.828125 MB of memory in use. ENERGY: 4299400 3988.1736 20200.5152 14497.0847 260.6124 -203436.9905 2621.0943 0.0000 0.0000 52172.4107 -109697.0996 299.8356 -161869.5103 -109323.2409 298.5405 -145.9079 -118.0677 761841.9531 -1.1361 -1.2216 PRESSURE: 4299600 -149.92 -67.5186 124.944 -67.5192 -246.784 -305.345 124.943 -305.344 -162.498 GPRESSURE: 4299600 -138.683 -72.6499 111.33 -45.1316 -139.369 -345.568 116.07 -134.339 -160.708 PRESSAVG: 4299600 -4.82528 30.3617 37.9777 30.3617 -7.33765 -28.0027 37.9777 -28.0027 1.33584 GPRESSAVG: 4299600 -6.365 28.3074 37.5431 30.9167 -5.84974 -30.0275 36.751 -27.2586 1.3701 TIMING: 4299600 CPU: 13645.8, 0.00314479/step Wall: 13645.8, 0.00314479/step, 0.611836 hours remaining, 241.828125 MB of memory in use. ENERGY: 4299600 3982.2062 20405.9665 14475.9523 255.6298 -203240.9840 2624.3953 0.0000 0.0000 51926.3978 -109570.4361 298.4217 -161496.8340 -109220.8048 299.3364 -186.4004 -146.2534 761162.2280 -3.6090 -3.6149 PRESSURE: 4299800 -99.6704 106.991 115.218 106.99 -159.309 139.204 115.218 139.203 -479.785 GPRESSURE: 4299800 -42.8574 134.89 135.278 93.7568 -195.631 119.656 122.808 173.022 -409.703 PRESSAVG: 4299800 10.9129 -23.509 -21.5673 -23.5091 15.3917 32.0823 -21.5672 32.0823 15.0751 GPRESSAVG: 4299800 11.9624 -22.7041 -21.4481 -21.8778 15.1843 31.3437 -20.6776 32.5128 13.7789 TIMING: 4299800 CPU: 13646.4, 0.00312839/step Wall: 13646.4, 0.00312839/step, 0.608472 hours remaining, 241.828125 MB of memory in use. ENERGY: 4299800 4045.8318 20409.7178 14463.8137 239.1723 -202992.4570 2152.6023 0.0000 0.0000 52106.3724 -109574.9467 299.4560 -161681.3191 -109214.1886 299.5991 -246.2549 -216.0639 761766.2642 13.7932 13.6418 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300000 142.084 -206.123 -226.415 -206.123 187.139 -119.958 -226.414 -119.957 247.355 GPRESSURE: 4300000 209.269 -183.609 -174.052 -134.155 156.524 -129.535 -152.512 -87.4797 294.135 PRESSAVG: 4300000 -8.98427 -20.3136 55.6557 -20.3136 12.8113 32 55.6557 31.9999 8.53895 GPRESSAVG: 4300000 -8.62989 -20.5503 56.7467 -22.1882 12.3486 33.8986 53.8343 30.7445 8.73101 TIMING: 4300000 CPU: 13647.1, 0.00325282/step Wall: 13647.1, 0.00325282/step, 0.632492 hours remaining, 241.828125 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: 4300000 3989.9060 20379.7265 14455.7689 258.0589 -203416.6343 2747.1992 0.0000 0.0000 51963.9741 -109622.0007 298.6377 -161585.9748 -109262.7636 299.0608 192.1926 219.9761 760260.8333 4.1220 4.1499 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 PRESSURE: 4300200 -151.663 -95.9282 -41.2124 -95.928 -551.491 55.7237 -41.2127 55.7234 114.073 GPRESSURE: 4300200 -78.5334 -82.9699 -125.94 -185.567 -567.292 31.9171 150.922 -89.4137 145.717 PRESSAVG: 4300200 22.5309 -22.0157 54.97 -22.0157 -7.57791 12.4502 54.97 12.4501 34.9545 GPRESSAVG: 4300200 21.0716 -23.117 53.4894 -20.0334 -7.29291 11.978 57.7497 11.9733 36.0392 TIMING: 4300200 CPU: 13647.7, 0.0031534/step Wall: 13647.7, 0.0031534/step, 0.612985 hours remaining, 241.828125 MB of memory in use. ENERGY: 4300200 3917.5722 20385.6353 14441.2195 267.0856 -203262.1286 2391.9006 0.0000 0.0000 52131.3108 -109727.4047 299.5994 -161858.7155 -109364.8902 298.7681 -196.3605 -166.7028 762256.7719 16.6358 16.6060 LDB: ============= START OF LOAD BALANCING ============== 13660.2 LDB: ============== END OF LOAD BALANCING =============== 13660.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13660.2 LDB: ============= START OF LOAD BALANCING ============== 13660.5 LDB: Largest compute 7059 load 0.034697 is 17.7% of average load 0.195483 LDB: Average compute 0.004395 is 2.2% of average load 0.195483 LDB: TIME 13660.5 LOAD: AVG 0.195483 MAX 0.212887 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 13660.5 LOAD: AVG 0.195483 MAX 0.212887 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: TIME 13660.5 LOAD: AVG 0.195483 MAX 0.212887 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: ============== END OF LOAD BALANCING =============== 13660.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13660.5 PRESSURE: 4300400 -38.6008 -14.0516 -3.59561 -14.051 -300.342 151.69 -3.59594 151.69 290.006 GPRESSURE: 4300400 129.505 -151.793 -36.9263 -80.1804 -349.873 212.668 -34.6255 84.4836 241.951 PRESSAVG: 4300400 2.89547 -26.1785 66.6909 -26.1785 10.9302 -3.92886 66.6909 -3.9289 15.7062 GPRESSAVG: 4300400 4.12434 -25.3611 66.0241 -26.3941 10.1619 -4.49547 65.2944 -4.48268 15.277 TIMING: 4300400 CPU: 13648.4, 0.00320283/step Wall: 13648.4, 0.00320283/step, 0.622417 hours remaining, 239.894531 MB of memory in use. ENERGY: 4300400 3965.1574 20566.6653 14504.8196 242.0355 -203582.6962 2731.6418 0.0000 0.0000 51854.1911 -109718.1855 298.0067 -161572.3766 -109355.9302 298.6400 -16.3122 7.1947 761106.3785 9.8440 9.8544 PRESSURE: 4300600 -83.82 -234.528 -107.362 -234.528 150.305 101.657 -107.362 101.656 -178.385 GPRESSURE: 4300600 -41.6086 -166.632 -113.955 -274.227 172.796 82.1224 -125.113 195.614 -139.541 PRESSAVG: 4300600 -13.6079 13.6033 -6.97585 13.6032 51.1905 -1.18312 -6.97585 -1.18312 0.0680459 GPRESSAVG: 4300600 -13.0798 14.5805 -6.64464 12.8065 51.3581 -1.80822 -8.39849 -0.652327 -0.490069 TIMING: 4300600 CPU: 13649, 0.00314578/step Wall: 13649, 0.00314578/step, 0.611155 hours remaining, 239.894531 MB of memory in use. ENERGY: 4300600 3874.8814 20249.8265 14517.5468 239.3895 -203212.4967 2513.3967 0.0000 0.0000 52060.4868 -109756.9690 299.1923 -161817.4558 -109394.3896 298.4022 -37.3002 -2.7846 764019.0856 12.5502 12.5961 PRESSURE: 4300800 10.0418 141.502 -35.1814 141.502 153.242 34.9217 -35.1809 34.9214 0.998707 GPRESSURE: 4300800 46.9982 71.0729 -1.60506 183.972 156.636 -35.7019 -3.36939 93.341 40.4026 PRESSAVG: 4300800 -7.76063 -52.6005 -19.6473 -52.6005 19.7066 -18.6418 -19.6474 -18.6419 -13.6702 GPRESSAVG: 4300800 -8.79699 -53.0249 -19.1324 -52.5908 19.8921 -18.1309 -18.9405 -17.1364 -12.9758 TIMING: 4300800 CPU: 13649.6, 0.00316574/step Wall: 13649.6, 0.00316574/step, 0.614857 hours remaining, 239.894531 MB of memory in use. ENERGY: 4300800 3979.1647 20404.3022 14529.9583 248.9134 -203673.5096 2745.4505 0.0000 0.0000 52073.6870 -109692.0334 299.2682 -161765.7204 -109334.7364 298.2434 54.7609 81.3457 763958.6584 -0.5748 -0.6269 PRESSURE: 4301000 -273.892 -12.1063 56.272 -12.1057 101.904 -194.16 56.2715 -194.161 -69.6714 GPRESSURE: 4301000 -155.117 44.6463 112.075 -124.753 114.039 -183.12 -17.3973 -46.871 -115.354 PRESSAVG: 4301000 -7.96743 -34.2832 -4.45177 -34.2831 24.728 7.95703 -4.45182 7.95709 19.8007 GPRESSAVG: 4301000 -8.53725 -33.6594 -4.84198 -35.3629 25.1985 8.70602 -3.45838 6.69329 19.8933 TIMING: 4301000 CPU: 13650.2, 0.00314711/step Wall: 13650.2, 0.00314711/step, 0.611063 hours remaining, 239.894531 MB of memory in use. ENERGY: 4301000 3995.6321 20347.1915 14462.8459 248.3614 -203567.6829 2718.4233 0.0000 0.0000 52200.9775 -109594.2511 299.9997 -161795.2287 -109233.2171 298.5370 -80.5529 -52.1437 763789.3535 12.1871 12.1849 PRESSURE: 4301200 106.731 -55.5809 141.281 -55.5806 246.983 -179.275 141.28 -179.275 197.791 GPRESSURE: 4301200 164.698 -46.0028 118.979 -148.202 208.476 -147.586 100.055 -234.304 270.12 PRESSAVG: 4301200 -60.2743 -33.7593 -11.897 -33.7593 29.9329 27.659 -11.897 27.659 16.1819 GPRESSAVG: 4301200 -58.3807 -34.2916 -11.0139 -32.086 29.167 26.436 -14.6737 29.1028 15.7844 TIMING: 4301200 CPU: 13650.9, 0.00313858/step Wall: 13650.9, 0.00313858/step, 0.609234 hours remaining, 239.894531 MB of memory in use. ENERGY: 4301200 3892.9927 20537.2616 14498.3173 244.8214 -203391.7801 2520.5003 0.0000 0.0000 52116.5552 -109581.3316 299.5146 -161697.8868 -109218.3509 299.2343 183.8351 214.4310 761380.2487 -4.7199 -4.4764 PRESSURE: 4301400 395.57 -175.092 131.295 -175.092 274.52 89.1935 131.296 89.1934 236.055 GPRESSURE: 4301400 391.711 -142.84 128.62 -105.287 357.234 1.91286 206.211 179.397 248.884 PRESSAVG: 4301400 -40.9234 19.3422 24.9788 19.3422 6.35741 -11.8169 24.9788 -11.8168 -3.48047 GPRESSAVG: 4301400 -40.9572 20.4619 24.7257 18.702 5.94889 -12.5787 25.4659 -12.4021 -2.84155 TIMING: 4301400 CPU: 13651.5, 0.003146/step Wall: 13651.5, 0.003146/step, 0.610499 hours remaining, 239.894531 MB of memory in use. ENERGY: 4301400 3937.1713 20416.1456 14449.4552 273.6934 -203675.7231 2901.3802 0.0000 0.0000 52266.1447 -109431.7326 300.3743 -161697.8773 -109081.7360 299.2385 302.0484 332.6096 761658.0491 -12.6822 -12.6166 PRESSURE: 4301600 105.099 -89.6044 3.53037 -89.6036 23.0063 61.7907 3.53019 61.7915 495.889 GPRESSURE: 4301600 169.691 -38.8511 -7.59804 -73.5556 50.9488 130.131 81.0894 123.098 485.196 PRESSAVG: 4301600 -37.2351 -20.1317 18.5782 -20.1318 35.4749 16.0954 18.5781 16.0954 -20.2011 GPRESSAVG: 4301600 -36.145 -19.9273 19.1576 -21.3158 35.5638 16.1571 19.2052 16.4245 -21.5536 TIMING: 4301600 CPU: 13652.1, 0.00313557/step Wall: 13652.1, 0.00313557/step, 0.608301 hours remaining, 239.894531 MB of memory in use. ENERGY: 4301600 3976.4033 20384.9210 14516.8412 249.7777 -203152.0383 2645.1661 0.0000 0.0000 51922.3010 -109456.6281 298.3982 -161378.9291 -109097.0333 298.9882 207.9981 235.2785 762324.7881 -7.3204 -7.3783 PRESSURE: 4301800 -80.9336 -73.2946 -237.823 -73.2937 -234.969 8.63973 -237.822 8.63969 241.721 GPRESSURE: 4301800 -135.224 -75.9161 -223.564 -6.3376 -189.54 86.6492 -356.141 -73.6045 338.838 PRESSAVG: 4301800 -42.6197 33.1772 -21.0359 33.1773 29.1621 31.6348 -21.0359 31.6349 -5.56131 GPRESSAVG: 4301800 -44.7799 32.7032 -21.9319 36.3427 31.1907 33.8157 -21.778 30.7972 -5.35919 TIMING: 4301800 CPU: 13652.8, 0.00314493/step Wall: 13652.8, 0.00314493/step, 0.609941 hours remaining, 239.894531 MB of memory in use. ENERGY: 4301800 3901.8287 20482.8999 14535.7233 246.3197 -203144.8900 2347.2471 0.0000 0.0000 51992.2359 -109638.6354 298.8001 -161630.8713 -109285.4904 298.9408 -24.7274 4.6913 761238.3500 -6.3396 -6.3161 PRESSURE: 4302000 -366.233 180.047 -22.5004 180.047 -19.3154 -153.866 -22.4998 -153.865 -41.2983 GPRESSURE: 4302000 -319.453 -0.697111 -47.3798 122.209 -16.927 -159.394 -51.3923 -29.0918 -28.8715 PRESSAVG: 4302000 -44.3709 3.44049 -6.02757 3.44049 9.22242 -30.0752 -6.02762 -30.0753 22.6938 GPRESSAVG: 4302000 -42.7048 1.06769 -5.9819 2.47982 7.67857 -31.8314 -4.78444 -29.05 22.865 TIMING: 4302000 CPU: 13653.4, 0.00312135/step Wall: 13653.4, 0.00312135/step, 0.605195 hours remaining, 239.894531 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: 4302000 4046.9692 20400.2357 14405.0928 214.8543 -203425.9947 2856.5902 0.0000 0.0000 52156.1528 -109346.0997 299.7421 -161502.2524 -108994.5288 299.1147 -142.2823 -121.7504 761916.3579 -4.1516 -4.0537 PRESSURE: 4302200 199.933 -118.032 99.5775 -118.033 362.703 19.615 99.5774 19.615 195.531 GPRESSURE: 4302200 242.718 -49.3916 118.168 -85.0647 297.285 104.319 109.653 44.1668 294.291 PRESSAVG: 4302200 -50.919 -11.2172 56.3506 -11.2172 13.7502 -14.9249 56.3506 -14.9248 -28.6489 GPRESSAVG: 4302200 -51.1433 -10.0837 58.4266 -13.4591 13.7098 -14.0589 55.6814 -16.0996 -28.917 TIMING: 4302200 CPU: 13654, 0.00311953/step Wall: 13654, 0.00311953/step, 0.604669 hours remaining, 239.894531 MB of memory in use. ENERGY: 4302200 4009.5763 20477.6575 14479.6474 256.1097 -203806.1699 2902.7803 0.0000 0.0000 52168.1534 -109512.2453 299.8111 -161680.3987 -109154.8883 299.1763 252.7222 278.0980 758991.0792 -21.9393 -22.1168 PRESSURE: 4302400 -204.866 2.67657 28.2663 2.67598 99.4234 33.1574 28.2663 33.1565 156.958 GPRESSURE: 4302400 -109.001 46.3559 99.8614 9.42822 92.6249 98.1392 121.687 125 162.948 PRESSAVG: 4302400 -58.8855 15.1149 -8.77854 15.115 62.3875 -16.4161 -8.77859 -16.4161 -4.76638 GPRESSAVG: 4302400 -60.41 15.5805 -10.2589 15.5597 62.0601 -16.4186 -6.63821 -15.6954 -2.63196 TIMING: 4302400 CPU: 13654.6, 0.00313867/step Wall: 13654.6, 0.00313867/step, 0.608205 hours remaining, 239.894531 MB of memory in use. ENERGY: 4302400 4000.6786 20361.6951 14395.9440 236.8214 -203482.8876 2742.7476 0.0000 0.0000 52158.0326 -109586.9682 299.7529 -161745.0009 -109219.5429 299.3446 17.1719 48.8573 760829.8542 -0.4215 -0.3273 PRESSURE: 4302600 -170.922 -145.734 -51.783 -145.733 -152.936 37.0726 -51.7826 37.0729 -168.643 GPRESSURE: 4302600 -196.393 -108.334 1.82698 -128.153 -147.424 -34.4805 -171.385 99.6895 -81.2971 PRESSAVG: 4302600 19.5919 -9.19216 39.6436 -9.19212 -55.2667 0.937275 39.6436 0.937255 -7.3976 GPRESSAVG: 4302600 20.6664 -11.1904 39.5362 -7.19755 -54.9183 -0.570891 38.6795 0.927284 -8.80702 TIMING: 4302600 CPU: 13655.3, 0.00313164/step Wall: 13655.3, 0.00313164/step, 0.606669 hours remaining, 239.894531 MB of memory in use. ENERGY: 4302600 3953.5702 20517.2515 14468.1261 248.7655 -203269.8768 2526.4917 0.0000 0.0000 52159.8544 -109395.8174 299.7634 -161555.6718 -109041.1506 298.9416 -164.1671 -141.7048 762399.0344 -14.3574 -14.3530 PRESSURE: 4302800 147.501 -169.475 -45.0995 -169.475 -158.08 7.90817 -45.1 7.90717 -292.095 GPRESSURE: 4302800 157.217 -102.91 39.1477 -133.119 -128.992 35.5837 -173.095 6.02918 -244.225 PRESSAVG: 4302800 -2.80445 -2.96788 32.3287 -2.96794 0.416792 38.1383 32.3287 38.1383 -7.47866 GPRESSAVG: 4302800 -2.87651 0.70015 32.7157 -4.0947 1.14595 40.0106 31.6859 37.7478 -8.2451 TIMING: 4302800 CPU: 13655.9, 0.00313563/step Wall: 13655.9, 0.00313563/step, 0.607267 hours remaining, 239.894531 MB of memory in use. ENERGY: 4302800 3961.3933 20527.8082 14515.9983 247.1681 -203269.5490 2615.9928 0.0000 0.0000 52064.6927 -109336.4955 299.2165 -161401.1883 -108976.2394 299.8120 -100.8914 -71.9999 763108.8926 -3.2888 -3.3252 PRESSURE: 4303000 -66.5996 -27.368 44.3842 -27.3679 -119.722 248.326 44.3835 248.326 53.199 GPRESSURE: 4303000 -115.49 -79.9408 60.6177 -92.054 -89.8933 181.125 110.978 167.883 163.565 PRESSAVG: 4303000 0.186933 10.0429 38.0039 10.0429 -3.114 6.0502 38.0039 6.05014 -17.5968 GPRESSAVG: 4303000 0.0964323 8.53073 37.9886 10.8552 -2.92986 5.3658 41.6899 4.60086 -18.0099 TIMING: 4303000 CPU: 13656.5, 0.003143/step Wall: 13656.5, 0.003143/step, 0.60852 hours remaining, 239.894531 MB of memory in use. ENERGY: 4303000 3939.5779 20602.2768 14536.0653 243.8622 -203639.6708 2554.1805 0.0000 0.0000 52409.1286 -109354.5795 301.1960 -161763.7081 -108987.0902 299.7239 -44.3742 -13.9394 761546.7712 -6.8413 -6.9478 PRESSURE: 4303200 -92.1239 -42.5651 2.53165 -42.5656 -374.588 103.982 2.53131 103.981 -376.955 GPRESSURE: 4303200 -14.6023 -51.1182 -41.9132 -64.4248 -291.654 154.98 -52.0163 195.061 -455.284 PRESSAVG: 4303200 -38.9104 1.29747 3.01127 1.29744 40.969 3.98799 3.01131 3.98794 -2.21167 GPRESSAVG: 4303200 -39.6342 1.13779 2.23287 -0.792221 40.3956 4.34296 -0.555874 6.30689 -1.07246 TIMING: 4303200 CPU: 13657.1, 0.00313924/step Wall: 13657.1, 0.00313924/step, 0.607618 hours remaining, 239.894531 MB of memory in use. ENERGY: 4303200 3995.8883 20812.3647 14539.3450 272.7507 -202980.0237 2326.7537 0.0000 0.0000 51820.1468 -109212.7744 297.8111 -161032.9213 -108860.8824 299.8660 -281.2223 -253.8467 762146.0209 -0.0510 -0.1037 PRESSURE: 4303400 65.3285 170.238 116.491 170.237 -38.3461 -70.5332 116.491 -70.5329 -123.64 GPRESSURE: 4303400 65.8098 85.6389 87.0149 116.964 -49.2791 -46.5129 5.56814 -5.64405 -31.9256 PRESSAVG: 4303400 13.0023 -5.64941 37.8043 -5.64945 -5.53319 8.58459 37.8043 8.58446 0.59239 GPRESSAVG: 4303400 13.8481 -6.3788 36.0232 -2.93018 -6.03173 7.20737 39.3826 8.0393 0.368773 TIMING: 4303400 CPU: 13657.8, 0.00312806/step Wall: 13657.8, 0.00312806/step, 0.605279 hours remaining, 239.894531 MB of memory in use. ENERGY: 4303400 3931.4104 20555.5952 14522.3050 230.7018 -202785.6085 2283.5095 0.0000 0.0000 52123.7931 -109138.2935 299.5562 -161262.0866 -108774.7423 300.1626 -32.2192 -5.1316 762682.3594 2.6872 2.7284 PRESSURE: 4303600 74.5771 140.987 6.97413 140.987 27.4792 -47.5314 6.97447 -47.5309 -91.9236 GPRESSURE: 4303600 67.355 34.9054 14.0875 89.7273 100.197 12.6333 47.8058 23.997 -87.4225 PRESSAVG: 4303600 -44.101 -11.0179 13.4796 -11.0179 19.3547 21.8149 13.4797 21.8149 -20.8015 GPRESSAVG: 4303600 -43.2672 -12.0365 16.2996 -12.3523 19.0799 21.7692 11.4862 23.2686 -21.1023 TIMING: 4303600 CPU: 13658.4, 0.00314176/step Wall: 13658.4, 0.00314176/step, 0.607757 hours remaining, 239.894531 MB of memory in use. ENERGY: 4303600 3955.0789 20484.4458 14467.1136 245.8412 -203226.9307 2529.2949 0.0000 0.0000 52347.4354 -109197.7209 300.8414 -161545.1563 -108834.7039 299.7597 3.3776 26.7099 761721.5088 -15.1826 -15.0965 PRESSURE: 4303800 -284.076 31.4027 -13.2001 31.4024 -190.847 -3.4699 -13.1993 -3.47115 27.0025 GPRESSURE: 4303800 -285.086 -48.3464 18.0361 -56.0545 -82.9436 25.0103 -71.1852 66.9723 -10.3521 PRESSAVG: 4303800 -95.8133 -4.20782 19.6486 -4.20783 19.1633 72.0696 19.6487 72.0696 -6.87021 GPRESSAVG: 4303800 -95.9215 -2.16582 19.1639 -4.9939 19.4538 73.1218 21.2176 71.5534 -7.16943 TIMING: 4303800 CPU: 13659, 0.00317398/step Wall: 13659, 0.00317398/step, 0.613813 hours remaining, 239.894531 MB of memory in use. ENERGY: 4303800 3959.2351 20578.7444 14477.8767 248.2719 -203169.1429 2411.6620 0.0000 0.0000 52273.3632 -109219.9896 300.4157 -161493.3528 -108865.1988 300.2091 -149.3067 -126.1272 761902.1708 -27.8401 -27.8791 PRESSURE: 4304000 182.701 -56.5858 -121.868 -56.5867 216.629 -106.247 -121.868 -106.248 148.898 GPRESSURE: 4304000 221.577 -241.197 -108.069 -61.1141 186.016 -102.645 -169.843 13.4462 248.296 PRESSAVG: 4304000 -27.0064 -26.5201 2.92193 -26.5201 32.8745 15.1956 2.9219 15.1956 15.2175 GPRESSAVG: 4304000 -27.8008 -27.3039 1.27415 -25.3645 32.095 14.9432 3.11174 14.9426 16.5229 TIMING: 4304000 CPU: 13659.7, 0.0031613/step Wall: 13659.7, 0.0031613/step, 0.611185 hours remaining, 239.894531 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: 4304000 3953.4552 20586.0026 14444.8696 249.5076 -203450.5226 2791.4710 0.0000 0.0000 52350.3490 -109074.8677 300.8582 -161425.2166 -108714.2949 300.3230 182.7427 218.6294 761061.7005 7.0286 6.9391 PRESSURE: 4304200 34.7127 -114.072 34.7979 -114.072 176.029 283.909 34.7977 283.909 99.3713 GPRESSURE: 4304200 58.2897 -149.269 52.3098 -68.9128 258.134 301.302 68.9401 209.988 88.5433 PRESSAVG: 4304200 -0.583297 -48.0069 22.4764 -48.007 -5.64348 -2.31572 22.4764 -2.31577 1.15989 GPRESSAVG: 4304200 0.193834 -48.1305 22.0366 -50.8212 -5.13019 -0.632149 23.1268 -3.12902 -0.668971 TIMING: 4304200 CPU: 13660.3, 0.00317427/step Wall: 13660.3, 0.00317427/step, 0.613516 hours remaining, 239.894531 MB of memory in use. ENERGY: 4304200 4033.2094 20468.7061 14434.5972 263.7701 -203030.3239 2405.6136 0.0000 0.0000 52277.6499 -109146.7775 300.4404 -161424.4274 -108794.6082 300.4859 103.3709 134.9889 760409.4322 -1.6890 -1.8684 LDB: ============= START OF LOAD BALANCING ============== 13672.8 LDB: ============== END OF LOAD BALANCING =============== 13672.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13672.8 LDB: ============= START OF LOAD BALANCING ============== 13673.1 LDB: Largest compute 7059 load 0.034933 is 17.9% of average load 0.195506 LDB: Average compute 0.004384 is 2.2% of average load 0.195506 LDB: TIME 13673.1 LOAD: AVG 0.195506 MAX 0.216856 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 13673.1 LOAD: AVG 0.195506 MAX 0.216856 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: TIME 13673.1 LOAD: AVG 0.195506 MAX 0.216856 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: ============== END OF LOAD BALANCING =============== 13673.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.1 PRESSURE: 4304400 -268.643 -129.017 93.7784 -129.017 -139.796 -94.4452 93.7779 -94.446 -619.076 GPRESSURE: 4304400 -188.167 25.8532 161.422 -90.729 -128.371 -110.945 241.753 -28.5191 -621.276 PRESSAVG: 4304400 -35.5104 -18.2326 -9.94516 -18.2325 22.7928 28.6436 -9.94514 28.6436 0.255053 GPRESSAVG: 4304400 -37.2511 -17.0028 -8.13274 -16.2164 24.0633 27.5523 -11.6988 30.5453 1.14458 TIMING: 4304400 CPU: 13660.9, 0.00324183/step Wall: 13660.9, 0.00324183/step, 0.626394 hours remaining, 240.156250 MB of memory in use. ENERGY: 4304400 4078.0597 20492.2702 14382.8313 248.7297 -202776.6121 2259.4018 0.0000 0.0000 52252.3077 -109063.0116 300.2947 -161315.3193 -108705.2104 300.3170 -342.5050 -312.6048 762129.8849 -4.1542 -4.0144 PRESSURE: 4304600 -43.0134 -153.094 12.5256 -153.095 -482.843 -49.2239 12.5258 -49.2244 -65.6129 GPRESSURE: 4304600 39.4279 -160.07 -73.95 -24.8732 -383.347 -90.7202 46.6651 -99.811 -145.592 PRESSAVG: 4304600 -27.9369 -3.74547 43.2348 -3.74555 -4.96254 40.9692 43.2348 40.9691 -25.5757 GPRESSAVG: 4304600 -26.9375 -5.71939 41.595 -1.87011 -6.28256 40.7896 45.7723 39.7523 -24.9732 TIMING: 4304600 CPU: 13661.6, 0.00313829/step Wall: 13661.6, 0.00313828/step, 0.606212 hours remaining, 240.156250 MB of memory in use. ENERGY: 4304600 3971.4974 20578.8208 14440.9694 232.8912 -203035.8440 2481.3521 0.0000 0.0000 52097.0756 -109233.2375 299.4026 -161330.3131 -108856.6499 300.0986 -197.1565 -163.1702 762533.7991 -19.4917 -19.3978 PRESSURE: 4304800 -173.825 -2.35332 -204.236 -2.35317 157.473 213.298 -204.236 213.297 -179.875 GPRESSURE: 4304800 -160.409 -65.1351 -144.148 125.591 195.819 162.589 -106.109 211.457 -158.714 PRESSAVG: 4304800 -10.4331 -8.22089 35.3768 -8.22096 40.6167 45.8149 35.3768 45.8148 7.70991 GPRESSAVG: 4304800 -8.96726 -8.05946 35.3999 -9.14371 40.0936 45.6734 34.5089 44.3633 7.62711 TIMING: 4304800 CPU: 13662.2, 0.00315487/step Wall: 13662.2, 0.00315487/step, 0.609241 hours remaining, 240.156250 MB of memory in use. ENERGY: 4304800 4047.4094 20772.2354 14450.8534 232.3159 -203582.0902 2585.4284 0.0000 0.0000 52169.4213 -109324.4265 299.8184 -161493.8478 -108965.9043 299.9996 -65.4090 -41.1013 760920.6364 12.6312 12.9178 PRESSURE: 4305000 -243.194 -3.50597 -189.943 -3.50589 -315.919 124.959 -189.943 124.958 -141.736 GPRESSURE: 4305000 -183.491 -78.9362 -68.12 -61.5819 -231.199 103.737 -202.539 41.6112 -198.384 PRESSAVG: 4305000 11.57 -87.5808 8.84957 -87.5808 -18.4441 31.1803 8.84959 31.1803 20.8244 GPRESSAVG: 4305000 10.6092 -87.8503 9.29699 -87.7673 -17.5506 31.6448 8.78509 33.9738 20.7031 TIMING: 4305000 CPU: 13662.8, 0.00315652/step Wall: 13662.8, 0.00315652/step, 0.609385 hours remaining, 240.156250 MB of memory in use. ENERGY: 4305000 4038.2042 20499.1527 14463.9809 250.9590 -203451.0457 2631.0141 0.0000 0.0000 52089.5682 -109478.1666 299.3595 -161567.7348 -109115.7207 300.1541 -233.6162 -204.3581 760209.5876 4.6501 4.5872 PRESSURE: 4305200 -116.419 -98.1629 102.027 -98.1629 -249.461 141.897 102.026 141.898 184.147 GPRESSURE: 4305200 -90.0516 8.05406 113.03 -19.8264 -264.536 121.243 89.555 136.914 258.018 PRESSAVG: 4305200 -13.9868 -40.8332 41.4928 -40.8332 37.1426 8.15538 41.4928 8.15537 -2.53663 GPRESSAVG: 4305200 -13.9651 -39.6546 41.8985 -42.1595 36.3065 8.12419 40.2168 7.58576 -1.4472 TIMING: 4305200 CPU: 13663.5, 0.00313159/step Wall: 13663.5, 0.00313159/step, 0.604397 hours remaining, 240.156250 MB of memory in use. ENERGY: 4305200 3951.5637 20591.6812 14487.6074 250.3024 -203438.3361 2467.8017 0.0000 0.0000 52167.4188 -109521.9609 299.8069 -161689.3797 -109169.7403 299.7117 -60.5778 -32.1899 760303.3850 6.8731 6.9647 PRESSURE: 4305400 -134.013 23.78 -95.5943 23.7805 50.9571 6.23155 -95.5953 6.23035 -453.212 GPRESSURE: 4305400 -186.602 36.6675 -25.0134 21.2959 138.528 -24.7704 23.5694 -6.33728 -384.524 PRESSAVG: 4305400 2.17666 -27.6736 19.8855 -27.6736 9.57895 41.9655 19.8855 41.9655 16.466 GPRESSAVG: 4305400 2.6645 -27.1162 19.4028 -26.8611 10.5885 42.7956 21.9455 39.0227 15.6562 TIMING: 4305400 CPU: 13664.1, 0.00314417/step Wall: 13664.1, 0.00314417/step, 0.60665 hours remaining, 240.156250 MB of memory in use. ENERGY: 4305400 3963.6454 20604.5792 14476.7860 245.2951 -203701.1744 2857.2623 0.0000 0.0000 52138.1157 -109415.4907 299.6385 -161553.6064 -109055.8736 299.1730 -178.7559 -144.1990 761586.4738 9.4072 9.6364 PRESSURE: 4305600 -70.8762 -204.741 -87.8938 -204.741 -383.387 104.386 -87.8938 104.386 189.42 GPRESSURE: 4305600 -0.472973 -106.855 -96.7709 -187.672 -342.064 48.032 -65.1433 118.673 151.068 PRESSAVG: 4305600 19.4617 3.68365 -34.8053 3.68364 18.8717 3.00899 -34.8054 3.00898 14.1051 GPRESSAVG: 4305600 19.44 4.64722 -33.9118 4.9354 19.6248 2.37116 -36.1625 4.95867 13.0517 TIMING: 4305600 CPU: 13664.7, 0.00314803/step Wall: 13664.7, 0.00314803/step, 0.60722 hours remaining, 240.156250 MB of memory in use. ENERGY: 4305600 3991.0327 20583.9481 14529.5588 256.7851 -203716.1909 2731.3760 0.0000 0.0000 52001.2326 -109622.2576 298.8518 -161623.4902 -109246.4845 299.5940 -88.2814 -63.8232 761002.5363 17.4795 17.3722 PRESSURE: 4305800 -1.30878 227.884 -11.7648 227.885 -501.128 202.744 -11.7638 202.744 -73.5057 GPRESSURE: 4305800 -69.5955 234.441 66.8932 233.865 -301.679 44.9002 -55.5614 188.349 -111.684 PRESSAVG: 4305800 -13.9391 10.2827 41.5483 10.2828 -7.32283 7.91154 41.5483 7.91152 15.7258 GPRESSAVG: 4305800 -14.9258 10.2974 41.0994 7.58497 -6.94942 6.97942 40.1022 10.6302 15.9792 TIMING: 4305800 CPU: 13665.3, 0.00313821/step Wall: 13665.3, 0.00313821/step, 0.605152 hours remaining, 240.156250 MB of memory in use. ENERGY: 4305800 3987.6633 20576.8142 14465.3791 247.5468 -203335.0644 2423.9580 0.0000 0.0000 52015.9947 -109617.7084 298.9366 -161633.7031 -109254.5573 299.3177 -191.9808 -160.9862 760903.2053 -1.8454 -1.9653 PRESSURE: 4306000 261.732 -58.6388 111.947 -58.6385 158.286 -84.1716 111.947 -84.1723 163.407 GPRESSURE: 4306000 331.488 -85.2601 58.0864 -118.581 157.422 -54.1931 82.7017 -163.869 180.187 PRESSAVG: 4306000 39.8264 -40.3582 -10.626 -40.3582 -34.8912 -32.0509 -10.626 -32.0509 -10.5406 GPRESSAVG: 4306000 39.4452 -39.7966 -10.4771 -39.7713 -34.5911 -30.2249 -10.3995 -35.4993 -10.2298 TIMING: 4306000 CPU: 13666, 0.00314527/step Wall: 13666, 0.00314527/step, 0.606338 hours remaining, 240.156250 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: 4306000 3996.1747 20526.2001 14498.8540 253.7526 -203659.7654 2704.6077 0.0000 0.0000 52044.0445 -109636.1317 299.0978 -161680.1762 -109262.6727 299.0718 194.4750 223.0324 760959.1409 -1.8685 -1.7919 PRESSURE: 4306200 -564.949 171.34 183.176 171.34 -413.483 296.134 183.176 296.133 -55.3427 GPRESSURE: 4306200 -507.624 16.0009 85.4788 125.055 -373.307 344.01 63.8606 197.563 -88.0413 PRESSAVG: 4306200 29.5506 0.81115 19.6101 0.811096 35.7302 13.4199 19.61 13.4199 8.8352 GPRESSAVG: 4306200 31.8389 -3.38884 19.2331 1.89877 34.0406 13.2932 19.2501 14.742 8.79279 TIMING: 4306200 CPU: 13666.6, 0.00316107/step Wall: 13666.6, 0.00316107/step, 0.609208 hours remaining, 240.156250 MB of memory in use. ENERGY: 4306200 4040.2450 20746.6516 14506.8175 252.5420 -203256.9696 2284.2155 0.0000 0.0000 51946.0153 -109480.4828 298.5345 -161426.4981 -109135.1614 299.3376 -344.5918 -322.9907 760694.6000 24.7053 24.8908 PRESSURE: 4306400 -117.595 -63.8543 95.8839 -63.8543 -199.298 127.206 95.8835 127.206 -70.3191 GPRESSURE: 4306400 -102.124 5.23006 100.373 41.6092 -136.084 88.3584 145.306 138.919 -80.9328 PRESSAVG: 4306400 35.8313 -35.8656 3.13111 -35.8656 -16.8651 15.9129 3.13111 15.9129 -1.39763 GPRESSAVG: 4306400 35.7014 -32.9398 3.42573 -36.2369 -16.26 15.3355 3.97162 14.4849 -1.92983 TIMING: 4306400 CPU: 13667.2, 0.00315036/step Wall: 13667.2, 0.00315036/step, 0.606969 hours remaining, 240.156250 MB of memory in use. ENERGY: 4306400 4037.3973 20596.6728 14484.6491 241.2589 -203392.4356 2681.4320 0.0000 0.0000 51568.8852 -109782.1402 296.3671 -161351.0254 -109426.7462 299.4020 -129.0707 -106.3803 763214.7867 5.8562 5.8372 PRESSURE: 4306600 10.6153 -46.5307 82.7016 -46.5307 -57.312 66.9241 82.7017 66.9251 20.5763 GPRESSURE: 4306600 -41.0675 -59.1805 150.623 -132.985 54.9149 9.82789 89.2391 41.2173 73.2117 PRESSAVG: 4306600 3.94685 -40.8619 -12.7108 -40.8619 -12.4482 9.49011 -12.7107 9.49009 27.1877 GPRESSAVG: 4306600 2.29952 -40.6886 -13.4099 -40.2772 -11.2412 8.30337 -9.83173 10.2777 28.008 TIMING: 4306600 CPU: 13667.9, 0.00314707/step Wall: 13667.9, 0.00314707/step, 0.606161 hours remaining, 240.156250 MB of memory in use. ENERGY: 4306600 3960.1934 20458.3567 14468.2011 234.4723 -203641.8586 2868.4675 0.0000 0.0000 51848.6919 -109803.4756 297.9751 -161652.1675 -109443.1243 298.6473 -8.7068 29.0197 760654.0922 6.2288 6.3555 PRESSURE: 4306800 -61.9251 -1.45727 -168.178 -1.45706 -59.1109 -199.464 -168.178 -199.463 -220.765 GPRESSURE: 4306800 -30.781 61.9323 -133.684 14.2856 -31.3297 -155.872 -142.611 -181.26 -189.247 PRESSAVG: 4306800 -24.5093 4.60721 -25.1342 4.60725 41.1612 -12.7237 -25.1342 -12.7237 -5.22085 GPRESSAVG: 4306800 -24.0857 2.50043 -24.1478 4.4663 40.1155 -11.856 -27.4331 -10.8792 -5.14797 TIMING: 4306800 CPU: 13668.5, 0.00314117/step Wall: 13668.5, 0.00314117/step, 0.60485 hours remaining, 240.156250 MB of memory in use. ENERGY: 4306800 3958.7952 20584.2777 14491.4363 236.0295 -203619.3497 2666.8621 0.0000 0.0000 52002.5218 -109679.4271 298.8592 -161681.9489 -109328.1478 298.3668 -113.9338 -83.7858 760939.8302 3.8104 3.6273 PRESSURE: 4307000 84.5016 23.7629 198.399 23.7627 -99.6767 57.5807 198.399 57.581 31.7892 GPRESSURE: 4307000 132.537 59.7764 181.847 125.847 -37.1568 20.391 192.943 47.3176 3.47524 PRESSAVG: 4307000 -46.2707 -16.7351 10.0549 -16.7351 54.6148 30.1863 10.0548 30.1864 22.0673 GPRESSAVG: 4307000 -44.562 -14.9389 10.955 -16.1798 53.3909 29.2867 8.60752 30.6863 21.1816 TIMING: 4307000 CPU: 13669.1, 0.00315309/step Wall: 13669.1, 0.00315309/step, 0.60697 hours remaining, 240.156250 MB of memory in use. ENERGY: 4307000 3962.1599 20495.1379 14628.4350 248.4095 -203663.0614 2872.5669 0.0000 0.0000 52094.5814 -109361.7707 299.3883 -161456.3521 -109013.8064 299.0960 5.5380 32.9519 761313.2504 10.1371 10.0035 PRESSURE: 4307200 235.674 257.964 75.4045 257.964 119.373 -131.506 75.4046 -131.505 293.231 GPRESSURE: 4307200 291.181 235.598 64.4575 165.359 53.9133 -174.001 44.1448 -153.217 383.228 PRESSAVG: 4307200 -21.5272 5.92099 17.0464 5.92097 -45.9133 21.5891 17.0465 21.5891 -30.3244 GPRESSAVG: 4307200 -23.5009 4.71105 15.8397 5.04492 -45.3466 20.6827 16.9491 20.0877 -29.4991 TIMING: 4307200 CPU: 13669.8, 0.00317513/step Wall: 13669.8, 0.00317513/step, 0.611036 hours remaining, 240.156250 MB of memory in use. ENERGY: 4307200 4059.5295 20547.3454 14502.2070 231.9895 -203439.5331 2805.9312 0.0000 0.0000 52019.6614 -109272.8691 298.9577 -161292.5305 -108909.4694 299.4868 216.0925 242.7739 761651.1570 -32.5883 -32.7822 PRESSURE: 4307400 -111.425 -83.7222 74.277 -83.7223 55.5772 31.5271 74.2773 31.5267 -444.547 GPRESSURE: 4307400 -25.189 -1.00539 58.93 -202.49 20.4812 42.2688 79.5532 -55.0406 -416.522 PRESSAVG: 4307400 -59.2913 0.634064 -1.37017 0.634089 35.2618 -34.3533 -1.37018 -34.3533 22.2583 GPRESSAVG: 4307400 -57.765 1.79023 -0.10906 -2.37807 34.0891 -31.7536 -0.95191 -33.0093 21.793 TIMING: 4307400 CPU: 13670.4, 0.00315108/step Wall: 13670.4, 0.00315108/step, 0.606233 hours remaining, 240.156250 MB of memory in use. ENERGY: 4307400 3982.0264 20591.2226 14497.2429 247.9349 -203310.1902 2611.2969 0.0000 0.0000 51885.2810 -109495.1854 298.1854 -161380.4664 -109143.0631 299.7895 -166.7983 -140.4099 761422.9687 -0.5904 -0.6276 PRESSURE: 4307600 95.9199 108.87 -149.029 108.87 -168.892 -84.8514 -149.029 -84.8519 -366.736 GPRESSURE: 4307600 124.169 91.0472 -189.467 216.005 -127.866 -115.935 -94.285 -77.4797 -339.36 PRESSAVG: 4307600 -4.15948 -27.9326 60.6431 -27.9327 13.7406 -2.14476 60.6431 -2.14465 -14.3752 GPRESSAVG: 4307600 -3.64773 -29.7715 60.6237 -22.8622 14.8634 -4.55483 61.8028 -2.93308 -16.0144 TIMING: 4307600 CPU: 13671, 0.00316812/step Wall: 13671, 0.00316812/step, 0.609336 hours remaining, 240.156250 MB of memory in use. ENERGY: 4307600 4034.6127 20447.2992 14479.5184 263.4671 -203361.7639 2645.3525 0.0000 0.0000 51722.1329 -109769.3811 297.2478 -161491.5140 -109415.6220 298.9857 -146.5691 -114.3523 761453.9716 -1.5980 -1.5996 PRESSURE: 4307800 -102.888 48.7972 206.655 48.7975 -55.1503 155.02 206.656 155.021 275.516 GPRESSURE: 4307800 -71.6425 121.876 196.408 116.949 24.6909 195.591 134.565 107.155 227.48 PRESSAVG: 4307800 -23.8515 -13.0495 23.9524 -13.0494 28.4943 19.4102 23.9523 19.4102 -21.5517 GPRESSAVG: 4307800 -25.2585 -10.4155 24.1222 -14.3979 28.9035 19.8388 22.8688 22.3812 -20.4934 TIMING: 4307800 CPU: 13671.7, 0.00313189/step Wall: 13671.7, 0.00313189/step, 0.602193 hours remaining, 240.156250 MB of memory in use. ENERGY: 4307800 3984.1929 20378.5089 14506.1993 253.0755 -203400.7493 2604.5228 0.0000 0.0000 52252.2343 -109422.0156 300.2943 -161674.2498 -109050.3145 299.1381 39.1592 60.1761 760950.5987 -5.6363 -5.6162 PRESSURE: 4308000 -223.079 90.4115 45.6995 90.4122 -339.843 203.153 45.6982 203.154 -324.249 GPRESSURE: 4308000 -129.719 91.8996 9.70371 126.782 -299.934 215.985 21.8464 176.902 -384.895 PRESSAVG: 4308000 -23.8374 -53.9064 8.03411 -53.9064 15.2249 68.6498 8.03405 68.6498 -13.8981 GPRESSAVG: 4308000 -24.048 -55.4841 5.69725 -53.8258 15.0032 70.6855 9.54129 65.5823 -13.4841 TIMING: 4308000 CPU: 13672.3, 0.003149/step Wall: 13672.3, 0.003149/step, 0.605308 hours remaining, 240.156250 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: 4308000 4082.9317 20481.5310 14506.2540 257.5592 -203164.9008 2249.8932 0.0000 0.0000 52107.3318 -109479.3998 299.4616 -161586.7316 -109121.1869 298.9842 -295.7237 -271.5161 761155.1822 -7.5035 -7.5096 PRESSURE: 4308200 129.547 34.89 -109.245 34.8894 246.729 71.6904 -109.245 71.689 666.478 GPRESSURE: 4308200 199.216 106.436 -134.305 83.6994 260.616 172.038 -20.9779 66.3448 676.45 PRESSAVG: 4308200 24.6477 -26.1311 30.6728 -26.1312 -18.318 37.3351 30.6727 37.3352 -3.26999 GPRESSAVG: 4308200 25.5134 -24.9433 31.2324 -26.1675 -18.6252 36.1828 30.0058 35.4445 -3.18503 TIMING: 4308200 CPU: 13672.9, 0.00315881/step Wall: 13672.9, 0.00315881/step, 0.607019 hours remaining, 240.156250 MB of memory in use. ENERGY: 4308200 3953.4152 20476.3513 14484.4102 231.8392 -203325.0762 2821.0274 0.0000 0.0000 51714.0838 -109643.9490 297.2016 -161358.0328 -109282.5843 299.0304 347.5848 378.7604 759269.8722 1.0199 1.2344 LDB: ============= START OF LOAD BALANCING ============== 13685.4 LDB: ============== END OF LOAD BALANCING =============== 13685.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.4 LDB: ============= START OF LOAD BALANCING ============== 13685.7 LDB: Largest compute 7078 load 0.035158 is 18.0% of average load 0.195448 LDB: Average compute 0.004380 is 2.2% of average load 0.195448 LDB: TIME 13685.7 LOAD: AVG 0.195448 MAX 0.215142 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.164 MB LDB: TIME 13685.7 LOAD: AVG 0.195448 MAX 0.215142 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: TIME 13685.7 LOAD: AVG 0.195448 MAX 0.215142 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.168 MB LDB: ============== END OF LOAD BALANCING =============== 13685.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.7 PRESSURE: 4308400 -213.268 -20.1779 119.253 -20.178 -378.159 63.0527 119.254 63.0535 72.1401 GPRESSURE: 4308400 -179.682 40.9709 164.282 3.0734 -354.413 74.9177 -5.17191 69.4844 113.945 PRESSAVG: 4308400 -16.3408 -38.7876 24.0812 -38.7876 0.0785785 -7.73682 24.0811 -7.73678 -8.65682 GPRESSAVG: 4308400 -18.3214 -38.767 26.7409 -40.5091 0.260865 -9.55961 24.6844 -4.90895 -7.62582 TIMING: 4308400 CPU: 13673.6, 0.00320596/step Wall: 13673.6, 0.00320596/step, 0.615901 hours remaining, 239.835938 MB of memory in use. ENERGY: 4308400 3996.8286 20408.2708 14508.3832 260.9305 -203410.0327 2555.6881 0.0000 0.0000 51941.2384 -109738.6931 298.5070 -161679.9315 -109375.8671 298.5212 -173.0956 -140.0501 761527.2658 -8.3064 -8.5621 PRESSURE: 4308600 205.106 56.8117 -27.2752 56.8123 -76.3486 -196.417 -27.2754 -196.418 -245.844 GPRESSURE: 4308600 205.997 51.3649 40.9299 -20.8868 36.1794 -186.375 -103.107 -188.304 -277.106 PRESSAVG: 4308600 -16.0806 -10.3483 0.000406052 -10.3483 13.1071 -38.1564 0.000465038 -38.1563 0.243547 GPRESSAVG: 4308600 -13.9935 -12.1022 -2.41362 -8.06795 14.3562 -35.4561 -2.64861 -39.9708 -2.40407 TIMING: 4308600 CPU: 13674.2, 0.00315216/step Wall: 13674.2, 0.00315216/step, 0.605389 hours remaining, 239.835938 MB of memory in use. ENERGY: 4308600 3965.3150 20522.2550 14603.7689 242.1748 -203631.5353 2690.4804 0.0000 0.0000 52059.9097 -109547.6315 299.1890 -161607.5412 -109196.0247 298.7220 -39.0287 -11.6432 760458.5572 -0.9100 -0.6805 PRESSURE: 4308800 179.64 83.9617 9.55241 83.962 -64.3602 -66.6155 9.55328 -66.6136 131.963 GPRESSURE: 4308800 220.345 8.5056 -30.8709 135.85 -16.6361 -128.928 55.7097 79.9411 130.851 PRESSAVG: 4308800 1.09013 -41.7846 32.8672 -41.7846 8.75451 7.16049 32.8672 7.16056 -0.0712666 GPRESSAVG: 4308800 0.221849 -41.7842 32.1913 -42.2178 8.74595 6.10193 35.1469 8.92766 0.350481 TIMING: 4308800 CPU: 13674.8, 0.00316491/step Wall: 13674.8, 0.00316492/step, 0.607664 hours remaining, 239.835938 MB of memory in use. ENERGY: 4308800 4049.6485 20295.1630 14580.6424 251.3541 -203599.6418 2760.1199 0.0000 0.0000 52128.1689 -109534.5450 299.5813 -161662.7139 -109174.1832 299.1724 82.4143 111.5198 760827.4581 3.2578 3.1061 PRESSURE: 4309000 -44.0379 102.816 -22.3287 102.815 -267.394 -180.76 -22.3284 -180.761 -276.952 GPRESSURE: 4309000 58.261 188.019 18.7973 82.3731 -266.8 -215.382 114.628 -194.865 -300.132 PRESSAVG: 4309000 1.96933 43.996 59.0471 43.996 0.809029 1.66418 59.0471 1.66412 2.59107 GPRESSAVG: 4309000 2.9857 45.2297 59.4845 43.7984 -0.137325 1.84291 57.5003 0.0648941 2.90644 TIMING: 4309000 CPU: 13675.4, 0.00312827/step Wall: 13675.4, 0.00312827/step, 0.600455 hours remaining, 239.835938 MB of memory in use. ENERGY: 4309000 3940.0828 20544.5159 14584.1378 249.4323 -203002.5224 2379.7379 0.0000 0.0000 51994.8376 -109309.7781 298.8150 -161304.6156 -108945.0977 299.3735 -196.1279 -169.5571 762171.4066 1.7898 1.9183 PRESSURE: 4309200 94.6644 -116.886 -77.6837 -116.885 623.747 127.3 -77.683 127.3 4.29666 GPRESSURE: 4309200 182.989 -130.523 -93.4289 57.7292 514.827 105.731 -94.0037 -36.6988 99.5443 PRESSAVG: 4309200 5.00204 36.9019 47.9939 36.9019 -0.273759 -2.06624 47.9939 -2.06625 1.51138 GPRESSAVG: 4309200 5.4142 35.5511 49.8916 36.8465 -0.605137 -1.98512 50.1026 -2.61109 1.30283 TIMING: 4309200 CPU: 13676.1, 0.00315949/step Wall: 13676.1, 0.00315949/step, 0.606271 hours remaining, 239.835938 MB of memory in use. ENERGY: 4309200 3960.6665 20582.6276 14620.4389 247.6596 -203794.0410 2915.8062 0.0000 0.0000 51960.4997 -109506.3424 298.6177 -161466.8421 -109147.8331 299.4901 240.9026 265.7870 760597.5229 2.0799 2.0373 PRESSURE: 4309400 212.985 -4.12632 290.022 -4.1257 9.53825 115.377 290.022 115.378 235.426 GPRESSURE: 4309400 275.118 -36.5425 297.625 39.5554 53.604 150.682 195.762 112.374 212.572 PRESSAVG: 4309400 21.4896 -14.8506 67.0537 -14.8506 -6.71173 31.6854 67.0538 31.6854 -5.65322 GPRESSAVG: 4309400 19.9771 -15.4271 65.6442 -11.543 -5.75854 32.8558 67.1169 32.1049 -5.10001 TIMING: 4309400 CPU: 13676.7, 0.00316447/step Wall: 13676.7, 0.00316447/step, 0.60705 hours remaining, 239.835938 MB of memory in use. ENERGY: 4309400 3994.3147 20442.9113 14458.3541 243.2891 -203250.3683 2528.7298 0.0000 0.0000 52088.6921 -109494.0772 299.3544 -161582.7694 -109127.0017 299.4435 152.6497 180.4313 761069.8128 3.0415 3.0395 PRESSURE: 4309600 -17.0988 -204.501 270.324 -204.501 -271.887 196.869 270.323 196.867 -465.982 GPRESSURE: 4309600 16.1255 -40.6265 225.105 -121.457 -201.139 159.533 218.076 183.847 -491.117 PRESSAVG: 4309600 41.8742 -61.6927 9.64506 -61.6928 23.9645 43.5025 9.64499 43.5025 12.8269 GPRESSAVG: 4309600 41.5069 -60.1877 9.38155 -63.5992 24.9715 42.9432 9.16636 42.602 12.3558 TIMING: 4309600 CPU: 13677.3, 0.00315079/step Wall: 13677.3, 0.00315079/step, 0.604251 hours remaining, 239.835938 MB of memory in use. ENERGY: 4309600 4009.9258 20306.0358 14560.9388 239.1765 -203499.1033 2650.9303 0.0000 0.0000 52484.3113 -109247.7848 301.6281 -161732.0961 -108878.0594 299.8243 -251.6559 -225.3769 761001.1211 26.2219 26.2781 PRESSURE: 4309800 -293.165 -118.746 -68.1507 -118.746 -85.5285 81.9452 -68.1511 81.9446 -298.074 GPRESSURE: 4309800 -373.964 -75.9672 -101.26 -154.447 -43.7087 9.03098 25.7766 61.2847 -208.613 PRESSAVG: 4309800 -31.6112 -63.7467 -1.07191 -63.7468 -3.50098 -10.8281 -1.07187 -10.8281 -0.157073 GPRESSAVG: 4309800 -31.1909 -63.7099 -0.489304 -63.6332 -4.32517 -12.4224 -1.52127 -9.17677 0.69403 TIMING: 4309800 CPU: 13678, 0.00316935/step Wall: 13678, 0.00316935/step, 0.607635 hours remaining, 239.835938 MB of memory in use. ENERGY: 4309800 4040.7174 20402.9789 14531.3202 252.8803 -202907.4189 2324.9205 0.0000 0.0000 52240.8076 -109113.7940 300.2286 -161354.6016 -108752.6462 300.0812 -225.5889 -208.7621 762234.7944 -11.7564 -11.6074 PRESSURE: 4310000 290.484 50.3931 72.5784 50.3927 -61.7115 -223.799 72.5782 -223.8 159.042 GPRESSURE: 4310000 204.049 39.1722 63.7552 47.4353 36.985 -204.835 155.342 -193.54 223.65 PRESSAVG: 4310000 13.1927 -56.4607 -11.4756 -56.4607 19.6172 2.89982 -11.4756 2.89981 -17.9459 GPRESSAVG: 4310000 14.0445 -56.9394 -11.1882 -56.5198 18.6873 2.60959 -10.8114 3.1285 -18.0998 TIMING: 4310000 CPU: 13678.6, 0.00316911/step Wall: 13678.6, 0.00316911/step, 0.607412 hours remaining, 239.835938 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: 4310000 3971.4804 20376.2641 14487.7152 234.1440 -202583.2506 2115.4240 0.0000 0.0000 52289.7991 -109108.4238 300.5102 -161398.2230 -108742.0934 300.0451 129.2714 154.8947 761842.0683 4.9547 4.8774 PRESSURE: 4310200 -577.511 -217.804 -277.397 -217.804 181.175 -177.147 -277.397 -177.147 -58.6633 GPRESSURE: 4310200 -431.374 -123.583 -340.329 -190.537 117.893 -163.886 -256.46 3.72494 -67.4903 PRESSAVG: 4310200 -24.339 -72.2309 -13.3891 -72.2309 10.8757 -54.0014 -13.3891 -54.0013 42.4133 GPRESSAVG: 4310200 -25.2208 -74.5776 -15.8648 -71.6413 12.2358 -53.1806 -12.19 -54.9887 41.5832 TIMING: 4310200 CPU: 13679.2, 0.00314543/step Wall: 13679.2, 0.00314543/step, 0.602699 hours remaining, 239.835938 MB of memory in use. ENERGY: 4310200 3991.3239 20512.2086 14534.1028 270.5523 -203155.9330 2590.0731 0.0000 0.0000 52117.6790 -109139.9934 299.5210 -161257.6725 -108773.8271 299.8805 -151.6664 -126.9903 762015.2816 9.6500 9.5327 PRESSURE: 4310400 221.049 43.0041 -184.996 43.0045 -283.853 -80.2458 -184.995 -80.2462 -207.254 GPRESSURE: 4310400 259.089 131.693 -134.547 27.131 -248.331 -15.8934 -119.633 -138.555 -195.105 PRESSAVG: 4310400 -2.25397 -9.13096 -4.59337 -9.13093 13.985 -19.6481 -4.5934 -19.648 13.7529 GPRESSAVG: 4310400 -0.850399 -9.02889 -2.38429 -9.75091 13.0901 -18.9132 -4.90562 -20.2471 12.9656 TIMING: 4310400 CPU: 13679.9, 0.00316124/step Wall: 13679.9, 0.00316124/step, 0.605553 hours remaining, 239.835938 MB of memory in use. ENERGY: 4310400 3942.3796 20575.2526 14558.7317 257.6192 -203435.0608 2538.0583 0.0000 0.0000 52180.5325 -109382.4870 299.8822 -161563.0194 -109019.8304 300.4882 -90.0193 -61.4489 761135.3240 8.4947 8.4018 PRESSURE: 4310600 -34.9921 -1.03214 95.5208 -1.03363 -21.6393 321.363 95.5211 321.364 -2.10659 GPRESSURE: 4310600 54.2751 52.0175 -10.6898 37.6389 33.2373 360.383 65.811 206.691 -51.9635 PRESSAVG: 4310600 4.30238 -66.7437 -40.9501 -66.7437 -14.4227 -30.0877 -40.9501 -30.0877 -13.1921 GPRESSAVG: 4310600 3.19239 -65.5469 -42.1907 -68.5538 -14.357 -31.13 -41.8663 -27.2602 -12.1346 TIMING: 4310600 CPU: 13680.5, 0.00315859/step Wall: 13680.5, 0.00315859/step, 0.60487 hours remaining, 239.835938 MB of memory in use. ENERGY: 4310600 3991.3888 20455.9821 14559.8274 259.9793 -203297.2769 2473.5396 0.0000 0.0000 52345.6129 -109210.9468 300.8310 -161556.5597 -108849.2965 299.5428 -19.5793 11.8496 759910.7861 -7.7708 -7.7664 PRESSURE: 4310800 2.99853 -32.2242 124.819 -32.2239 -145.968 9.90927 124.82 9.90827 -313.392 GPRESSURE: 4310800 46.4015 -61.0671 145.333 -22.2797 -109.401 -16.338 101.304 57.8354 -306.572 PRESSAVG: 4310800 -22.0568 -75.9382 -44.8279 -75.9383 3.47431 -0.348408 -44.8279 -0.348455 -16.5025 GPRESSAVG: 4310800 -22.2038 -76.9044 -42.545 -74.0124 4.05273 -0.0895763 -46.0354 -1.64475 -17.0681 TIMING: 4310800 CPU: 13681.1, 0.00316355/step Wall: 13681.1, 0.00316355/step, 0.605645 hours remaining, 239.835938 MB of memory in use. ENERGY: 4310800 3897.9938 20342.8784 14535.3729 254.9234 -203107.1904 2604.1114 0.0000 0.0000 52145.8107 -109326.0997 299.6827 -161471.9105 -108959.0903 299.5497 -152.1204 -123.1905 761151.3254 -11.6950 -11.7397 PRESSURE: 4311000 -275.422 -307.009 144.354 -307.008 -66.1894 -46.774 144.354 -46.7732 -294.169 GPRESSURE: 4311000 -230.669 -238.013 238.918 -340.398 -88.8453 -144.168 144.954 -5.91925 -240.499 PRESSAVG: 4311000 76.5163 -71.5027 13.0192 -71.5027 -103.168 -39.7093 13.0193 -39.7094 -21.8559 GPRESSAVG: 4311000 76.9694 -69.3459 11.9465 -71.5151 -104.259 -41.1437 12.6218 -39.4916 -20.8717 TIMING: 4311000 CPU: 13681.8, 0.00316116/step Wall: 13681.8, 0.00316117/step, 0.605012 hours remaining, 239.835938 MB of memory in use. ENERGY: 4311000 3996.1363 20295.1328 14514.6758 241.9697 -203286.1058 2542.9332 0.0000 0.0000 52249.0328 -109446.2252 300.2759 -161695.2580 -109082.2791 299.1647 -211.9266 -186.6711 762270.2979 -16.1691 -16.0536 PRESSURE: 4311200 246.854 -208.74 -156.584 -208.74 -27.8071 107.691 -156.583 107.692 4.65814 GPRESSURE: 4311200 228.838 -169.638 -98.4179 -170.027 -7.08047 72.3122 -72.2505 188.04 70.9839 PRESSAVG: 4311200 -6.02823 -78.7233 -44.0343 -78.7233 -35.4489 8.12717 -44.0343 8.12713 16.3086 GPRESSAVG: 4311200 -6.59214 -79.9191 -43.4854 -77.4528 -34.2512 8.79223 -42.0835 9.90195 15.5096 TIMING: 4311200 CPU: 13682.4, 0.00314618/step Wall: 13682.4, 0.00314618/step, 0.60197 hours remaining, 239.835938 MB of memory in use. ENERGY: 4311200 4031.8854 20532.8833 14529.6334 245.5447 -203564.3765 2776.1832 0.0000 0.0000 52110.4711 -109337.7754 299.4796 -161448.2465 -108990.2470 299.6349 74.5683 97.5805 761901.1420 -8.3895 -8.4446 PRESSURE: 4311400 -81.4331 -88.6256 142.413 -88.6253 95.2575 -223.244 142.414 -223.245 217.489 GPRESSURE: 4311400 -68.628 -38.4544 95.6886 -335.074 103.614 -139.579 -0.0562978 -289.82 255.484 PRESSAVG: 4311400 -36.6429 -51.8664 8.07827 -51.8665 5.84265 3.43056 8.07821 3.43062 5.08332 GPRESSAVG: 4311400 -35.871 -52.1782 6.91953 -52.6187 4.95341 5.03676 8.69585 0.497246 4.71338 TIMING: 4311400 CPU: 13683, 0.00316546/step Wall: 13683, 0.00316546/step, 0.605482 hours remaining, 239.835938 MB of memory in use. ENERGY: 4311400 4002.9514 20372.4950 14462.8334 246.9008 -203438.6240 2663.7801 0.0000 0.0000 52247.0139 -109442.6494 300.2643 -161689.6633 -109077.6142 299.8752 77.1044 96.8234 761388.2264 -8.5723 -8.7348 PRESSURE: 4311600 -52.3695 -108.13 94.5933 -108.131 -118.207 -74.8231 94.5928 -74.8236 253.184 GPRESSURE: 4311600 53.5451 -78.4504 120.709 -113.778 -100.566 -24.0044 249.274 52.1286 206.08 PRESSAVG: 4311600 43.6666 -63.9884 56.9886 -63.9884 -35.9128 -14.2552 56.9886 -14.2552 1.68156 GPRESSAVG: 4311600 43.7222 -63.5916 55.5977 -65.6378 -36.2748 -16.0712 56.0802 -11.573 1.57439 TIMING: 4311600 CPU: 13683.7, 0.00316425/step Wall: 13683.7, 0.00316425/step, 0.605074 hours remaining, 239.835938 MB of memory in use. ENERGY: 4311600 3935.3289 20513.0108 14523.2986 248.2505 -203338.4415 2560.2051 0.0000 0.0000 52000.2714 -109558.0763 298.8463 -161558.3476 -109201.1720 299.5687 27.5359 53.0197 762499.3527 3.1451 3.0073 PRESSURE: 4311800 -36.7389 177.391 -84.9097 177.39 -278.305 165.7 -84.9092 165.701 32.9309 GPRESSURE: 4311800 -59.0942 167.13 -125.125 94.5707 -159.633 229.817 -73.1094 182.748 20.8634 PRESSAVG: 4311800 -18.6279 -13.9655 25.5456 -13.9655 -1.84602 25.1813 25.5456 25.1812 -8.01539 GPRESSAVG: 4311800 -18.7787 -14.5481 26.5056 -12.0085 -2.17331 24.863 25.9724 25.1379 -7.79429 TIMING: 4311800 CPU: 13684.3, 0.00316306/step Wall: 13684.3, 0.00316306/step, 0.604673 hours remaining, 239.835938 MB of memory in use. ENERGY: 4311800 3976.6060 20495.9368 14429.7366 245.6573 -203209.7555 2387.3210 0.0000 0.0000 51866.8103 -109807.6874 298.0793 -161674.4978 -109456.2983 298.7180 -94.0376 -65.9547 761440.3468 -9.4964 -9.5821 PRESSURE: 4312000 199.286 234.464 -58.3417 234.464 -199.012 174.017 -58.3421 174.018 -305.877 GPRESSURE: 4312000 215.402 214.071 -77.4279 142.625 -177.866 47.4761 78.231 200.435 -270.886 PRESSAVG: 4312000 -23.6113 49.098 43.1895 49.098 -27.0913 18.4609 43.1895 18.4608 4.93255 GPRESSAVG: 4312000 -25.1525 49.4617 44.9973 48.0214 -25.2594 19.297 42.4566 16.5835 4.80693 TIMING: 4312000 CPU: 13684.9, 0.00316182/step Wall: 13684.9, 0.00316182/step, 0.604259 hours remaining, 239.835938 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: 4312000 3950.4655 20279.9352 14482.1997 261.4650 -203221.2764 2337.8440 0.0000 0.0000 52003.0419 -109906.3251 298.8622 -161909.3670 -109543.2608 298.3147 -101.8676 -77.7831 762579.8340 -15.2567 -15.2017 PRESSURE: 4312200 -124.978 -63.4375 197.815 -63.4378 -355.646 145.215 197.816 145.214 4.61764 GPRESSURE: 4312200 9.36065 -133.133 235.351 -133.74 -351.68 195.028 140.852 -61.8623 -43.1034 PRESSAVG: 4312200 59.4634 -13.0394 24.1617 -13.0393 -49.621 2.17121 24.1617 2.17112 -28.6111 GPRESSAVG: 4312200 60.5745 -12.9366 25.1779 -14.5462 -51.0818 0.930576 24.4866 0.576418 -28.4525 TIMING: 4312200 CPU: 13685.6, 0.00317252/step Wall: 13685.6, 0.00317252/step, 0.606127 hours remaining, 239.835938 MB of memory in use. ENERGY: 4312200 3874.1412 20391.9746 14512.5345 239.4483 -203555.8540 2372.4513 0.0000 0.0000 52131.1583 -110034.1458 299.5985 -162165.3041 -109676.8654 298.2481 -158.6687 -128.4743 760825.8396 -6.2562 -6.3199 LDB: ============= START OF LOAD BALANCING ============== 13698 LDB: ============== END OF LOAD BALANCING =============== 13698 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13698 LDB: ============= START OF LOAD BALANCING ============== 13698.3 LDB: Largest compute 7059 load 0.036536 is 18.7% of average load 0.195395 LDB: Average compute 0.004414 is 2.3% of average load 0.195395 LDB: TIME 13698.3 LOAD: AVG 0.195395 MAX 0.212074 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 13698.3 LOAD: AVG 0.195395 MAX 0.212074 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 13698.3 LOAD: AVG 0.195395 MAX 0.212074 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 13698.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13698.3 PRESSURE: 4312400 26.4723 -12.1425 -100.104 -12.1421 246.578 -72.9702 -100.104 -72.97 58.3692 GPRESSURE: 4312400 174.478 -14.5281 -216.624 42.5225 222.634 -111.121 -69.5152 -41.981 -4.9805 PRESSAVG: 4312400 52.5454 27.7803 34.159 27.7803 -99.285 2.59119 34.1591 2.59106 11.2084 GPRESSAVG: 4312400 53.6279 27.1499 32.2026 29.6206 -99.1133 1.87991 34.0692 5.39188 10.1001 TIMING: 4312400 CPU: 13686.2, 0.00323967/step Wall: 13686.2, 0.00323967/step, 0.618777 hours remaining, 239.527344 MB of memory in use. ENERGY: 4312400 3971.3341 20351.8821 14446.3136 249.3746 -203290.0939 2333.3414 0.0000 0.0000 52018.7759 -109919.0722 298.9526 -161937.8481 -109558.6391 298.3893 110.4732 130.7106 759786.9439 -11.8437 -11.7951 PRESSURE: 4312600 -563.553 10.3488 -154.291 10.3488 -208.029 165.972 -154.291 165.97 303.127 GPRESSURE: 4312600 -489.408 -15.9994 -89.3943 86.9251 -190.662 96.1899 -101.462 153.693 307.295 PRESSAVG: 4312600 13.0981 24.3456 33.7429 24.3455 -28.8887 -8.94574 33.743 -8.9458 11.4879 GPRESSAVG: 4312600 11.9942 25.8299 34.7714 23.9584 -28.3288 -8.36486 31.9946 -9.42037 11.8878 TIMING: 4312600 CPU: 13686.8, 0.00316629/step Wall: 13686.8, 0.00316629/step, 0.604586 hours remaining, 239.527344 MB of memory in use. ENERGY: 4312600 3998.9260 20250.2774 14448.9450 246.8578 -203393.8530 2544.4581 0.0000 0.0000 51907.9384 -109996.4503 298.3156 -161904.3887 -109642.2009 298.5964 -156.1517 -124.2583 761332.1270 -1.4342 -1.4822 PRESSURE: 4312800 92.1049 61.9477 -122.402 61.9474 305.973 -26.3152 -122.402 -26.3144 117.111 GPRESSURE: 4312800 75.7409 46.3446 -225.152 19.571 423.18 34.2142 59.5282 -2.05807 103.292 PRESSAVG: 4312800 1.0057 -0.25503 26.1173 -0.255108 -12.6799 -19.2468 26.1173 -19.2468 -3.11941 GPRESSAVG: 4312800 1.34196 0.139084 24.9456 -1.18613 -13.2916 -17.8845 28.134 -20.7411 -3.01482 TIMING: 4312800 CPU: 13687.5, 0.00315635/step Wall: 13687.5, 0.00315635/step, 0.602513 hours remaining, 239.527344 MB of memory in use. ENERGY: 4312800 3974.1121 20501.6996 14562.8666 246.0740 -203789.9062 2698.3694 0.0000 0.0000 51777.9820 -110028.8026 297.5688 -161806.7846 -109673.4467 297.9473 171.7298 200.7375 759655.2936 -4.9312 -4.9881 PRESSURE: 4313000 -112.29 12.0806 105.475 12.0807 195.011 -214.92 105.475 -214.92 -172.602 GPRESSURE: 4313000 -81.5765 -96.2117 48.2532 26.1876 113.381 -259.061 196.52 -244.731 -27.998 PRESSAVG: 4313000 4.4936 16.4405 14.8213 16.4405 14.5386 -22.9979 14.8213 -22.9979 3.29555 GPRESSAVG: 4313000 3.02909 16.1564 14.8608 17.5295 15.5991 -21.9642 15.5932 -21.4886 3.08605 TIMING: 4313000 CPU: 13688.1, 0.00317621/step Wall: 13688.1, 0.00317621/step, 0.606127 hours remaining, 239.527344 MB of memory in use. ENERGY: 4313000 4034.5412 20423.3254 14629.7682 239.2095 -203455.2452 2520.0197 0.0000 0.0000 51577.5919 -110030.7892 296.4171 -161608.3811 -109676.1683 298.2106 -29.9606 1.2689 758748.2453 7.4426 7.2381 PRESSURE: 4313200 532.949 -2.41625 -109.361 -2.41635 -196.621 241.51 -109.361 241.51 127.935 GPRESSURE: 4313200 551.653 28.8157 -81.2865 91.1425 -234.001 159.915 87.5535 182.154 235.545 PRESSAVG: 4313200 21.1806 28.7253 -18.1686 28.7254 -74.89 15.0615 -18.1686 15.0615 11.3022 GPRESSAVG: 4313200 21.9626 27.8915 -15.8663 27.5153 -76.1932 13.6937 -18.892 12.1253 11.8574 TIMING: 4313200 CPU: 13688.7, 0.00316317/step Wall: 13688.7, 0.00316317/step, 0.603462 hours remaining, 239.527344 MB of memory in use. ENERGY: 4313200 3920.4500 20267.7792 14630.8988 247.0287 -204151.6948 2832.8794 0.0000 0.0000 51975.3389 -110277.3197 298.7030 -162252.6586 -109910.0381 298.0334 154.7547 184.3991 759320.0106 -14.1357 -14.1244 PRESSURE: 4313400 367.489 51.7557 -231.676 51.7568 -48.9372 -143.699 -231.676 -143.7 -231.27 GPRESSURE: 4313400 355.212 -51.974 -222.664 23.8878 48.4991 -77.0102 -148.187 -82.41 -220.727 PRESSAVG: 4313400 7.83544 -12.9657 0.521907 -12.9657 21.6848 -5.60257 0.521956 -5.60259 8.14392 GPRESSAVG: 4313400 7.96471 -11.4313 -0.491045 -13.9412 22.9394 -5.06598 1.45647 -3.15717 7.23541 TIMING: 4313400 CPU: 13689.4, 0.00317576/step Wall: 13689.4, 0.00317576/step, 0.605688 hours remaining, 239.527344 MB of memory in use. ENERGY: 4313400 3942.3522 20461.1745 14414.5249 249.0423 -203912.4587 2786.2584 0.0000 0.0000 52068.2995 -109990.8069 299.2372 -162059.1064 -109626.6977 298.3786 29.0940 60.9948 759431.9248 12.5547 12.7132 PRESSURE: 4313600 293.151 -175.831 48.1136 -175.831 222.298 -60.0335 48.1141 -60.0324 161.533 GPRESSURE: 4313600 303.033 -32.248 -56.5308 -110.153 241.244 -53.3948 -33.2421 25.9545 216.492 PRESSAVG: 4313600 -8.17142 -4.52424 27.1111 -4.52422 -4.90671 24.196 27.1111 24.1959 -3.90879 GPRESSAVG: 4313600 -7.13624 -3.90492 25.9672 -2.58677 -6.7627 23.2853 26.1002 24.9868 -3.32427 TIMING: 4313600 CPU: 13690, 0.0031722/step Wall: 13690, 0.0031722/step, 0.604832 hours remaining, 239.527344 MB of memory in use. ENERGY: 4313600 3976.0177 20465.5404 14567.9277 267.8358 -203965.0255 2959.1196 0.0000 0.0000 51902.2077 -109826.3766 298.2827 -161728.5843 -109464.5014 298.6107 225.6608 253.5897 759416.2593 -5.6623 -5.7411 PRESSURE: 4313800 -49.4613 -64.7275 16.7939 -64.7281 128.886 -66.5599 16.7946 -66.5587 -56.4752 GPRESSURE: 4313800 -49.722 -50.3514 -65.8409 -163.407 180.837 -104.06 -6.22459 -53.9414 -47.745 PRESSAVG: 4313800 42.443 -6.56839 36.6403 -6.56835 -32.325 -15.8484 36.6403 -15.8484 7.83175 GPRESSAVG: 4313800 40.9563 -5.39533 35.8626 -7.34785 -30.3848 -16.0018 37.278 -15.9078 7.20404 TIMING: 4313800 CPU: 13690.6, 0.00318707/step Wall: 13690.6, 0.00318707/step, 0.607491 hours remaining, 239.527344 MB of memory in use. ENERGY: 4313800 4069.2740 20391.0025 14539.1733 249.3349 -203974.7515 2885.6165 0.0000 0.0000 51892.5639 -109947.7864 298.2273 -161840.3503 -109590.6426 298.7203 7.6500 27.7901 758815.1730 5.9832 5.9252 PRESSURE: 4314000 22.3127 39.3705 -16.3651 39.3716 -147.101 248.491 -16.3649 248.491 116.149 GPRESSURE: 4314000 114.933 -10.7014 -65.3492 50.8353 -130.158 285.518 11.1342 307.705 93.2478 PRESSAVG: 4314000 32.2046 -10.5894 -16.7008 -10.5895 -14.7361 -33.6787 -16.7007 -33.6787 -3.00394 GPRESSAVG: 4314000 32.6166 -15.8147 -14.2964 -8.62191 -15.7295 -33.2727 -16.9245 -33.1587 -2.37067 TIMING: 4314000 CPU: 13691.3, 0.00314301/step Wall: 13691.3, 0.00314301/step, 0.598918 hours remaining, 239.527344 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: 4314000 3964.6490 20461.3601 14523.8676 250.3222 -203724.7767 2685.4628 0.0000 0.0000 51986.9759 -109852.1392 298.7699 -161839.1151 -109491.8424 298.7727 -2.8795 26.0076 759654.7995 4.8215 4.8388 PRESSURE: 4314200 211.192 -157.382 207.391 -157.382 289.998 -99.5051 207.39 -99.5054 -124.298 GPRESSURE: 4314200 185.093 -160.452 251.639 -99.4496 281.342 -52.5364 61.5717 -37.6185 -3.36535 PRESSAVG: 4314200 0.87531 3.43385 -44.1143 3.43381 51.6478 26.0312 -44.1143 26.0312 -23.1477 GPRESSAVG: 4314200 0.752366 6.69473 -44.5229 2.28867 51.7328 26.7472 -43.9538 25.0186 -23.0244 TIMING: 4314200 CPU: 13691.9, 0.00317743/step Wall: 13691.9, 0.00317743/step, 0.6053 hours remaining, 239.527344 MB of memory in use. ENERGY: 4314200 3953.7845 20537.6172 14564.0001 238.0178 -203260.7723 2249.6717 0.0000 0.0000 51917.8232 -109799.8577 298.3724 -161717.6810 -109452.1438 299.1761 125.6308 154.3566 759991.6920 9.7918 9.8203 PRESSURE: 4314400 217.705 51.0955 185.558 51.0956 -102.021 187.567 185.558 187.568 112.369 GPRESSURE: 4314400 185.708 172.81 132.698 66.257 -43.8016 133.524 255.306 211.239 188.768 PRESSAVG: 4314400 31.968 -2.77375 40.1265 -2.77378 -51.3048 -5.13438 40.1266 -5.13432 4.96745 GPRESSAVG: 4314400 31.7267 -4.48644 39.0507 -0.0768666 -51.2323 -6.95894 39.4221 -4.09403 5.07879 TIMING: 4314400 CPU: 13692.5, 0.00316388/step Wall: 13692.5, 0.00316388/step, 0.602543 hours remaining, 239.527344 MB of memory in use. ENERGY: 4314400 3954.8793 20599.0874 14492.7088 262.7414 -203875.1654 2887.6910 0.0000 0.0000 51997.1657 -109680.8917 298.8284 -161678.0575 -109336.8420 299.0405 76.0176 110.2249 760602.1621 -4.7898 -4.8090 PRESSURE: 4314600 39.8901 -109.011 -163.06 -109.01 -141.306 121.904 -163.061 121.903 -14.1296 GPRESSURE: 4314600 -1.30256 -140.675 -88.6162 -125.237 -80.5239 246.313 -97.3763 156.972 38.6983 PRESSAVG: 4314600 -46.5364 -54.371 8.44944 -54.3709 22.8824 -13.9262 8.44949 -13.9263 -8.63377 GPRESSAVG: 4314600 -47.4202 -55.3978 7.82876 -55.0509 23.987 -14.0663 9.73396 -14.5917 -8.84022 TIMING: 4314600 CPU: 13693.2, 0.00316313/step Wall: 13693.2, 0.00316313/step, 0.602225 hours remaining, 239.527344 MB of memory in use. ENERGY: 4314600 4016.5063 20493.2755 14532.6090 247.9286 -203747.8404 2502.3383 0.0000 0.0000 52355.3604 -109599.8223 300.8870 -161955.1827 -109236.1118 299.1027 -38.5152 -14.3760 758761.4558 -10.7626 -10.7578 PRESSURE: 4314800 202.263 12.1304 -67.6402 12.1306 158.056 133.355 -67.6396 133.355 -34.7852 GPRESSURE: 4314800 285.666 -76.2958 -105.355 58.2875 134.63 131.605 -33.777 109.364 -14.6854 PRESSAVG: 4314800 48.3706 -39.9713 21.8111 -39.9713 -4.72462 -2.0665 21.8112 -2.06652 16.1763 GPRESSAVG: 4314800 49.4108 -37.1902 21.9981 -42.7508 -5.31555 -1.15721 22.1878 -0.485294 15.9918 TIMING: 4314800 CPU: 13693.8, 0.00315527/step Wall: 13693.8, 0.00315527/step, 0.600553 hours remaining, 239.527344 MB of memory in use. ENERGY: 4314800 3970.8840 20492.0677 14452.1069 242.9171 -203709.8042 2718.4778 0.0000 0.0000 52102.3932 -109730.9575 299.4332 -161833.3507 -109367.4204 299.8012 108.5112 135.2033 757587.2072 19.9408 20.0290 PRESSURE: 4315000 -312.41 -306.552 -128.926 -306.552 -56.3215 -52.8977 -128.927 -52.8976 -319.771 GPRESSURE: 4315000 -314.786 -273.913 -133.473 -200.178 -8.52583 -99.9511 -121.599 53.3265 -291.982 PRESSAVG: 4315000 -33.8857 2.7854 -15.2612 2.78532 5.12175 21.9006 -15.2612 21.9005 -13.0443 GPRESSAVG: 4315000 -33.7757 1.90795 -14.3778 4.1649 4.74206 21.8902 -15.2838 20.3814 -12.8389 TIMING: 4315000 CPU: 13694.4, 0.00316901/step Wall: 13694.4, 0.00316901/step, 0.602993 hours remaining, 239.527344 MB of memory in use. ENERGY: 4315000 3932.1550 20496.2572 14466.4688 236.7473 -203147.3243 2238.7527 0.0000 0.0000 51849.0285 -109927.9148 297.9771 -161776.9433 -109572.0277 298.9118 -229.5009 -205.0978 761189.5212 -13.9361 -13.9575 PRESSURE: 4315200 122.53 -172.334 -39.1499 -172.333 44.896 -32.6287 -39.1506 -32.6302 -143.229 GPRESSURE: 4315200 222.742 -241.86 -37.8902 -127.728 -43.9961 -77.002 -68.7151 -1.23728 -74.6023 PRESSAVG: 4315200 -33.4286 -53.1647 10.2179 -53.1648 2.5058 -13.1949 10.2179 -13.1948 -19.1513 GPRESSAVG: 4315200 -34.8407 -53.6365 10.103 -54.5265 2.84112 -13.0773 9.31797 -13.4327 -18.2398 TIMING: 4315200 CPU: 13695.1, 0.00316408/step Wall: 13695.1, 0.00316408/step, 0.601878 hours remaining, 239.527344 MB of memory in use. ENERGY: 4315200 3922.5460 20487.9755 14467.5546 226.9336 -203082.6702 2104.0095 0.0000 0.0000 52270.6875 -109602.9634 300.4004 -161873.6509 -109238.4951 298.7754 8.0657 34.7147 759743.5266 -16.6914 -16.7465 PRESSURE: 4315400 -72.0471 80.5525 376.033 80.5517 100.935 6.57828 376.032 6.5779 626.281 GPRESSURE: 4315400 46.6943 -22.1769 354.9 -38.5863 94.5934 -24.8422 204.189 107.006 614.983 PRESSAVG: 4315400 -0.570509 -71.3693 -32.7366 -71.3693 24.4707 -12.622 -32.7366 -12.622 -0.0760816 GPRESSAVG: 4315400 -0.590589 -70.9088 -33.2064 -72.411 24.2992 -11.6472 -33.7405 -11.6131 0.0513118 TIMING: 4315400 CPU: 13695.7, 0.00314789/step Wall: 13695.7, 0.00314789/step, 0.598623 hours remaining, 239.527344 MB of memory in use. ENERGY: 4315400 3978.8221 20460.1324 14463.6146 265.9034 -203549.6067 2867.8661 0.0000 0.0000 52006.7216 -109506.5465 298.8833 -161513.2681 -109149.8886 299.2054 218.3896 252.0903 760920.3968 7.9414 7.9200 PRESSURE: 4315600 -96.4344 -175.485 59.5367 -175.486 90.5196 34.0659 59.536 34.0649 129.118 GPRESSURE: 4315600 -149.059 -89.329 35.348 -114.159 245.999 179.845 147.317 -36.8561 98.3811 PRESSAVG: 4315600 -12.1602 -12.9282 26.7172 -12.9282 -28.3058 -47.5629 26.7172 -47.5629 8.83563 GPRESSAVG: 4315600 -11.9347 -12.738 28.2256 -11.761 -27.0624 -47.0242 26.3875 -47.6811 7.87247 TIMING: 4315600 CPU: 13696.3, 0.00316473/step Wall: 13696.3, 0.00316473/step, 0.60165 hours remaining, 239.527344 MB of memory in use. ENERGY: 4315600 4027.1943 20561.0052 14504.8698 263.4198 -203161.1570 2392.9667 0.0000 0.0000 52231.2997 -109180.4015 300.1740 -161411.7012 -108819.3030 299.6968 41.0679 65.1072 760526.2850 -10.5434 -10.3749 PRESSURE: 4315800 -221.526 104.525 32.5789 104.524 -67.5686 53.5461 32.5796 53.5445 -446.62 GPRESSURE: 4315800 -173.296 -59.0705 22.8483 46.8196 -70.8081 56.0489 2.12911 105.167 -398.376 PRESSAVG: 4315800 -14.437 -44.5047 23.144 -44.5048 12.1756 -25.1741 23.1439 -25.1741 -3.67253 GPRESSAVG: 4315800 -14.2509 -45.4313 21.4195 -46.4502 11.4187 -25.8766 24.4143 -27.501 -2.9158 TIMING: 4315800 CPU: 13697, 0.00313533/step Wall: 13697, 0.00313533/step, 0.595887 hours remaining, 239.527344 MB of memory in use. ENERGY: 4315800 4031.7310 20753.0411 14441.9187 258.2783 -202951.3035 2386.7198 0.0000 0.0000 52196.8940 -108882.7206 299.9763 -161079.6145 -108527.2473 300.8499 -245.2380 -214.1600 761985.5983 -1.9780 -1.9160 PRESSURE: 4316000 -338.374 14.0648 -201.783 14.0646 -58.7068 -153.698 -201.783 -153.698 48.9192 GPRESSURE: 4316000 -291.375 48.5926 -279.291 -18.1169 -42.4088 -154.129 10.3222 -98.8945 45.9895 PRESSAVG: 4316000 44.7908 -25.4723 20.5772 -25.4724 -21.0695 -55.7593 20.5772 -55.7593 16.5575 GPRESSAVG: 4316000 45.4764 -25.102 20.5291 -24.4204 -21.624 -56.6002 21.3124 -52.6769 16.666 TIMING: 4316000 CPU: 13697.6, 0.00314556/step Wall: 13697.6, 0.00314556/step, 0.597657 hours remaining, 239.527344 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: 4316000 3977.4479 20664.5098 14488.9949 244.9643 -202788.4105 2232.3157 0.0000 0.0000 52202.0115 -108978.1664 300.0057 -161180.1779 -108625.3406 300.3739 -116.0540 -95.9315 761243.5557 13.4263 13.5062 PRESSURE: 4316200 143.583 59.7871 -195.015 59.7872 -183.99 171.67 -195.015 171.67 -141.377 GPRESSURE: 4316200 167.019 182.634 -230.676 165.63 -163.678 117.606 -190.735 77.8011 -115.396 PRESSAVG: 4316200 -11.2521 -2.61676 -62.9853 -2.61666 3.31304 -2.7888 -62.9853 -2.78887 -12.4143 GPRESSAVG: 4316200 -11.299 -3.39102 -62.9219 -1.22911 4.39671 -3.47212 -62.0191 -4.58232 -13.7159 TIMING: 4316200 CPU: 13698.2, 0.00314902/step Wall: 13698.2, 0.00314902/step, 0.598139 hours remaining, 239.527344 MB of memory in use. ENERGY: 4316200 4026.0566 20604.0559 14453.8980 228.1984 -202800.9267 2218.9147 0.0000 0.0000 52371.5688 -108898.2344 300.9801 -161269.8031 -108536.1741 300.0174 -60.5949 -37.3517 760783.2271 -6.7844 -6.8727 LDB: ============= START OF LOAD BALANCING ============== 13710.7 LDB: ============== END OF LOAD BALANCING =============== 13710.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13710.7 LDB: ============= START OF LOAD BALANCING ============== 13711 LDB: Largest compute 7059 load 0.035902 is 18.4% of average load 0.195385 LDB: Average compute 0.004386 is 2.2% of average load 0.195385 LDB: TIME 13711 LOAD: AVG 0.195385 MAX 0.21541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 13711 LOAD: AVG 0.195385 MAX 0.21541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: TIME 13711 LOAD: AVG 0.195385 MAX 0.21541 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: ============== END OF LOAD BALANCING =============== 13711 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13711 PRESSURE: 4316400 31.7448 -70.4497 241.107 -70.4506 130.505 -264.508 241.106 -264.508 -204.771 GPRESSURE: 4316400 93.1824 -74.6837 191.617 -88.3087 58.9264 -287.202 171.132 -210.59 -109.24 PRESSAVG: 4316400 5.46269 -62.7486 -11.959 -62.7486 36.3499 34.5541 -11.959 34.5542 34.3808 GPRESSAVG: 4316400 6.33968 -63.1299 -11.9818 -63.628 35.8885 36.6418 -14.2084 34.6907 34.168 TIMING: 4316400 CPU: 13698.9, 0.00321797/step Wall: 13698.9, 0.00321797/step, 0.611057 hours remaining, 240.039062 MB of memory in use. ENERGY: 4316400 3989.0225 20550.6778 14429.9888 241.2453 -202871.2462 2401.1973 0.0000 0.0000 52219.5753 -109039.5391 300.1066 -161259.1144 -108671.8514 300.1596 -14.1738 14.2897 759988.0303 25.3978 25.4654 PRESSURE: 4316600 -314.184 188.998 -104.515 188.998 -192.422 -207.53 -104.516 -207.531 -410.097 GPRESSURE: 4316600 -169.978 159.757 -158.296 232.249 -232.825 -227.659 -5.58359 -66.2785 -442.8 PRESSAVG: 4316600 27.9655 -6.39566 -27.1435 -6.39564 13.8272 -58.0862 -27.1435 -58.0861 -4.24729 GPRESSAVG: 4316600 27.9043 -5.67319 -26.8023 -4.87423 12.9407 -58.7652 -25.6658 -58.9546 -3.35589 TIMING: 4316600 CPU: 13699.5, 0.00317074/step Wall: 13699.5, 0.00317074/step, 0.601912 hours remaining, 240.039062 MB of memory in use. ENERGY: 4316600 4090.2278 20446.2761 14478.9654 245.7941 -202937.9709 2226.1403 0.0000 0.0000 52214.3734 -109236.1938 300.0767 -161450.5673 -108868.5504 300.0236 -305.5679 -281.8680 761659.7186 12.5151 12.4964 PRESSURE: 4316800 -61.0245 53.4543 -51.1406 53.4535 -311.62 113.335 -51.1402 113.336 7.02161 GPRESSURE: 4316800 -60.0544 100.581 16.2993 -9.40401 -289.375 37.2265 -78.0454 147.019 79.5855 PRESSAVG: 4316800 59.4119 -42.2305 5.79379 -42.2305 -42.1271 -18.7967 5.79379 -18.7967 -1.25041 GPRESSAVG: 4316800 58.1874 -40.9514 4.6696 -44.5934 -40.5366 -20.8144 6.0747 -16.1752 -1.38485 TIMING: 4316800 CPU: 13700.1, 0.00318619/step Wall: 13700.1, 0.00318619/step, 0.604668 hours remaining, 240.039062 MB of memory in use. ENERGY: 4316800 3971.8284 20542.5701 14478.6986 244.1985 -203023.5924 2265.2795 0.0000 0.0000 52237.1948 -109283.8224 300.2079 -161521.0173 -108917.8458 299.9386 -121.8743 -89.9479 760563.8429 5.3448 5.4220 PRESSURE: 4317000 -523.598 48.7357 232.195 48.7358 -289.049 -7.36615 232.195 -7.36632 -143.737 GPRESSURE: 4317000 -396.215 106.443 211.19 31.489 -216.616 51.8166 264.62 -34.7418 -260.415 PRESSAVG: 4317000 -14.6506 20.4126 28.5565 20.4126 -15.7636 -8.96219 28.5565 -8.96221 -6.28594 GPRESSAVG: 4317000 -14.4836 17.7678 29.7263 19.5611 -16.0129 -6.38064 29.2758 -11.7217 -5.85892 TIMING: 4317000 CPU: 13700.8, 0.0031768/step Wall: 13700.8, 0.0031768/step, 0.602709 hours remaining, 240.039062 MB of memory in use. ENERGY: 4317000 3976.4198 20440.1465 14536.2445 251.6971 -202605.8205 2131.7337 0.0000 0.0000 51953.4623 -109316.1167 298.5773 -161269.5791 -108961.3620 299.7852 -318.7947 -291.0819 761733.6490 -12.2334 -12.1185 PRESSURE: 4317200 145.825 -98.3168 43.0974 -98.3175 80.6051 -93.1196 43.0974 -93.1199 167.875 GPRESSURE: 4317200 180.254 102.52 34.2259 -112.27 58.1355 -72.0679 63.1203 24.7414 209.656 PRESSAVG: 4317200 -0.793071 -24.2991 22.712 -24.299 -35.3928 -6.25426 22.7119 -6.2543 -9.16541 GPRESSAVG: 4317200 -0.668376 -22.8847 22.0694 -21.9652 -34.9298 -7.96133 22.9634 -3.67957 -9.99363 TIMING: 4317200 CPU: 13701.4, 0.00316981/step Wall: 13701.4, 0.00316981/step, 0.601207 hours remaining, 240.039062 MB of memory in use. ENERGY: 4317200 3963.1577 20481.1319 14445.8393 243.0572 -203201.7399 2536.2519 0.0000 0.0000 52229.7997 -109302.5022 300.1654 -161532.3019 -108939.9851 299.8567 131.4351 149.3485 760135.5829 -15.1171 -15.1973 PRESSURE: 4317400 -58.5304 -187.325 -62.1189 -187.325 -228.327 -38.6406 -62.1193 -38.6414 -263.391 GPRESSURE: 4317400 82.8699 -292.195 -112.103 -83.519 -253.687 -43.3889 -125.176 -149.638 -308.965 PRESSAVG: 4317400 2.49987 27.7496 -31.251 27.7496 -12.5058 -8.15807 -31.251 -8.15801 -3.73851 GPRESSAVG: 4317400 2.97398 27.9046 -32.6309 28.2132 -13.3648 -7.62098 -32.0303 -10.1468 -3.41913 TIMING: 4317400 CPU: 13702, 0.00318745/step Wall: 13702, 0.00318745/step, 0.604376 hours remaining, 240.039062 MB of memory in use. ENERGY: 4317400 3950.5470 20629.1135 14423.2716 241.3440 -203054.3104 2443.5974 0.0000 0.0000 52278.5759 -109087.8610 300.4457 -161366.4370 -108714.9105 299.8492 -183.4161 -159.9273 760399.0887 -4.5815 -4.6033 PRESSURE: 4317600 164.759 262.319 38.8593 262.319 -97.221 127.33 38.8596 127.329 -229.101 GPRESSURE: 4317600 88.4168 222.349 5.14873 263.682 68.9289 45.0277 65.7313 110.162 -221.917 PRESSAVG: 4317600 45.8251 -60.5514 32.9617 -60.5514 -13.7744 -28.2871 32.9617 -28.2872 0.795001 GPRESSAVG: 4317600 44.8809 -59.9804 34.2095 -62.8784 -12.252 -27.2211 32.3501 -28.028 0.848801 TIMING: 4317600 CPU: 13702.7, 0.00316399/step Wall: 13702.7, 0.00316399/step, 0.599752 hours remaining, 240.039062 MB of memory in use. ENERGY: 4317600 4014.6962 20523.4669 14483.2604 273.0301 -203167.0413 2576.7624 0.0000 0.0000 51965.8903 -109329.9349 298.6487 -161295.8253 -108969.6568 300.4618 -53.8544 -21.5236 760821.2710 10.9485 11.1592 PRESSURE: 4317800 -289.602 159.656 42.1101 159.656 -27.8381 89.0712 42.1096 89.0713 -340.767 GPRESSURE: 4317800 -218.135 118.715 54.9779 22.9651 -62.9272 -53.761 13.5079 -29.2094 -292.217 PRESSAVG: 4317800 -18.7251 -43.8353 31.0046 -43.8353 25.2914 -25.1152 31.0046 -25.1153 -14.8242 GPRESSAVG: 4317800 -18.9768 -44.5932 31.5117 -43.6008 25.9436 -25.2824 32.2182 -26.8747 -14.842 TIMING: 4317800 CPU: 13703.3, 0.00316223/step Wall: 13703.3, 0.00316223/step, 0.599242 hours remaining, 240.039062 MB of memory in use. ENERGY: 4317800 3947.4813 20583.9762 14496.7840 258.8904 -203108.9710 2328.1513 0.0000 0.0000 52218.0140 -109275.6737 300.0976 -161493.6878 -108907.9521 300.0446 -219.4022 -191.0930 759330.0074 -2.7526 -2.6251 PRESSURE: 4318000 -299.118 192.126 85.6858 192.126 -364.721 -216.362 85.6858 -216.363 -508.22 GPRESSURE: 4318000 -134.84 38.4982 87.8513 70.4099 -337.142 -209.171 167.102 -68.6686 -618.633 PRESSAVG: 4318000 18.4544 -24.3568 3.49753 -24.3567 11.1004 -0.521164 3.49757 -0.521237 -4.35437 GPRESSAVG: 4318000 20.1297 -24.9504 3.32926 -23.4474 9.28073 -0.939567 3.38862 1.25284 -4.79023 TIMING: 4318000 CPU: 13703.9, 0.00316802/step Wall: 13703.9, 0.00316802/step, 0.600164 hours remaining, 240.039062 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: 4318000 4050.0476 20731.1775 14586.3107 244.1603 -203299.2685 2305.7738 0.0000 0.0000 52012.1650 -109369.6336 298.9146 -161381.7985 -109007.4958 300.1470 -390.6863 -363.5382 759078.4811 8.4001 8.2067 PRESSURE: 4318200 -57.8968 -204.716 -43.2267 -204.717 115.758 -70.3212 -43.2272 -70.3214 -129.994 GPRESSURE: 4318200 -96.8769 -83.7004 20.0466 -92.7715 156.745 -50.9508 -118.191 -89.9615 -67.1777 PRESSAVG: 4318200 41.6932 -47.3943 35.8625 -47.3943 -5.85014 -9.37503 35.8626 -9.37504 4.32935 GPRESSAVG: 4318200 41.1481 -46.9059 36.5917 -46.797 -4.65039 -10.4539 35.5216 -11.0482 4.03269 TIMING: 4318200 CPU: 13704.6, 0.00317585/step Wall: 13704.6, 0.00317585/step, 0.601471 hours remaining, 240.039062 MB of memory in use. ENERGY: 4318200 3947.6648 20608.2661 14430.1991 251.0600 -202862.8608 2080.3003 0.0000 0.0000 52142.9584 -109402.4123 299.6663 -161545.3707 -109039.3487 299.9483 -24.0440 -2.4366 759495.8441 13.3908 13.5101 PRESSURE: 4318400 -267.05 181.363 -56.3646 181.362 185.386 -174.721 -56.366 -174.721 34.0491 GPRESSURE: 4318400 -217.907 8.75162 -167.677 211.394 160.004 -127.9 -13.345 -222.227 77.0816 PRESSAVG: 4318400 -15.967 -21.6545 12.0401 -21.6545 21.9902 -50.1685 12.0401 -50.1684 -17.8587 GPRESSAVG: 4318400 -16.6848 -21.0611 11.4114 -22.4421 22.336 -49.0254 11.7553 -48.8711 -17.2771 TIMING: 4318400 CPU: 13705.2, 0.00316234/step Wall: 13705.2, 0.00316234/step, 0.598736 hours remaining, 240.039062 MB of memory in use. ENERGY: 4318400 3985.4073 20564.4379 14512.8965 266.4552 -203547.3571 2730.3267 0.0000 0.0000 52048.4993 -109439.3342 299.1234 -161487.8335 -109082.2269 299.6655 -15.8717 6.3931 760070.2954 -3.9452 -3.8753 PRESSURE: 4318600 212.236 107.627 21.1368 107.628 -62.3317 -22.402 21.1375 -22.401 280.958 GPRESSURE: 4318600 290.916 51.2179 27.9762 192.284 51.8451 7.28711 32.9502 -122.193 168.021 PRESSAVG: 4318600 28.117 40.6505 20.4026 40.6505 10.9109 -3.32345 20.4025 -3.32346 -12.2609 GPRESSAVG: 4318600 28.499 40.8198 20.8546 40.8377 9.7215 -4.37898 20.8362 -2.85066 -11.8705 TIMING: 4318600 CPU: 13705.8, 0.00316087/step Wall: 13705.8, 0.00316087/step, 0.598283 hours remaining, 240.039062 MB of memory in use. ENERGY: 4318600 3980.3655 20588.2059 14444.2911 272.0304 -203491.4928 2536.1942 0.0000 0.0000 52021.8352 -109648.5704 298.9702 -161670.4057 -109286.2556 299.7341 143.6205 170.2607 760439.9990 8.9223 8.7834 PRESSURE: 4318800 58.23 26.1548 27.6724 26.1557 48.9978 -144.97 27.6724 -144.971 25.1347 GPRESSURE: 4318800 95.37 46.3063 21.0552 116.345 21.1809 -51.3284 101.264 -143.221 116.526 PRESSAVG: 4318800 20.5666 -0.927934 10.6633 -0.927952 -12.3183 -0.535199 10.6632 -0.535272 -1.47778 GPRESSAVG: 4318800 20.8113 0.124351 11.5064 -1.79877 -11.6481 0.382868 9.37309 -1.33481 -1.86564 TIMING: 4318800 CPU: 13706.5, 0.00316924/step Wall: 13706.5, 0.00316924/step, 0.59969 hours remaining, 240.039062 MB of memory in use. ENERGY: 4318800 3975.2094 20562.6590 14461.4916 258.5880 -204204.0292 3141.3057 0.0000 0.0000 52089.9512 -109714.8243 299.3617 -161804.7754 -109348.8486 299.2704 44.1208 77.6922 759855.9717 2.2569 2.4325 PRESSURE: 4319000 -23.3122 -101.666 -186.415 -101.666 -185.969 -150.098 -186.415 -150.098 -94.6891 GPRESSURE: 4319000 46.4173 -65.8144 -184.806 -3.48708 -97.7308 -136.247 -189.899 -209.698 -171.14 PRESSAVG: 4319000 9.38634 2.908 18.7257 2.908 -26.8688 -25.358 18.7257 -25.358 11.6377 GPRESSAVG: 4319000 9.41791 3.41297 18.2343 2.41223 -25.867 -25.7335 20.4349 -23.4787 10.6836 TIMING: 4319000 CPU: 13707.1, 0.00316422/step Wall: 13707.1, 0.00316422/step, 0.598566 hours remaining, 240.039062 MB of memory in use. ENERGY: 4319000 3935.4893 20678.5266 14432.2046 248.2750 -203517.5707 2500.7301 0.0000 0.0000 52166.1531 -109556.1919 299.7996 -161722.3451 -109184.4560 299.6762 -101.3236 -74.1511 760569.6294 -1.9483 -1.9218 PRESSURE: 4319200 -129.191 -11.618 163.518 -11.618 116.917 -0.120055 163.518 -0.11997 -210.216 GPRESSURE: 4319200 -94.1945 -51.078 89.6032 -134.512 146.277 -81.9765 54.2272 59.9689 -197.289 PRESSAVG: 4319200 21.1744 -41.1961 -17.2336 -41.1962 33.599 34.2427 -17.2336 34.2428 2.38723 GPRESSAVG: 4319200 20.7712 -43.7046 -16.696 -39.4692 32.2852 35.7371 -18.8256 34.3271 3.61825 TIMING: 4319200 CPU: 13707.7, 0.00315553/step Wall: 13707.7, 0.00315553/step, 0.596746 hours remaining, 240.039062 MB of memory in use. ENERGY: 4319200 4089.3178 20453.7775 14560.1756 247.3490 -203952.3188 2614.8979 0.0000 0.0000 52339.6745 -109647.1265 300.7968 -161986.8010 -109267.0322 300.0305 -74.1633 -48.4022 759373.8187 19.0535 18.8915 PRESSURE: 4319400 -170.338 116.433 -35.8445 116.433 -117.404 156.331 -35.8446 156.33 -279.914 GPRESSURE: 4319400 -59.9255 31.4425 -16.944 77.7073 -130.779 150.866 -54.5956 -25.6279 -295.06 PRESSAVG: 4319400 -21.4642 -38.5343 -38.4063 -38.5343 -13.7059 48.8388 -38.4063 48.8389 14.1717 GPRESSAVG: 4319400 -20.372 -38.0519 -39.4052 -39.0481 -14.002 45.1407 -39.2753 47.5247 13.4365 TIMING: 4319400 CPU: 13708.4, 0.00314154/step Wall: 13708.4, 0.00314154/step, 0.593926 hours remaining, 240.039062 MB of memory in use. ENERGY: 4319400 3970.5941 20684.0819 14456.8914 255.6387 -203279.1485 2446.7923 0.0000 0.0000 51818.7450 -109646.4051 297.8030 -161465.1501 -109296.5758 299.3063 -189.2187 -161.9218 760799.9978 -6.9995 -6.9792 PRESSURE: 4319600 22.4645 -123.113 -91.8682 -123.113 -129.133 121.939 -91.8686 121.939 -51.2611 GPRESSURE: 4319600 -28.5913 -8.49525 -187.631 4.76145 -52.2099 179.612 69.4298 176.598 -14.8101 PRESSAVG: 4319600 -39.8294 -17.1474 -12.1106 -17.1474 44.4152 19.0131 -12.1106 19.013 13.5875 GPRESSAVG: 4319600 -40.526 -17.3282 -10.6852 -17.6847 45.4948 20.0413 -10.7758 18.2756 13.405 TIMING: 4319600 CPU: 13709, 0.00315647/step Wall: 13709, 0.00315647/step, 0.596573 hours remaining, 240.039062 MB of memory in use. ENERGY: 4319600 4046.1044 20630.4425 14493.5272 225.3874 -204038.8943 2830.0163 0.0000 0.0000 52306.8460 -109506.5704 300.6082 -161813.4165 -109140.0002 299.1589 -52.6433 -31.8704 761028.5075 6.0578 6.1246 PRESSURE: 4319800 88.1869 -134.503 -2.36687 -134.503 146.471 -355.52 -2.36706 -355.52 310.286 GPRESSURE: 4319800 120.218 -29.2007 -17.1204 -34.092 151.547 -316.228 34.4014 -321.639 329.537 PRESSAVG: 4319800 13.982 -35.8027 -21.6497 -35.8027 16.1791 52.6919 -21.6496 52.692 -3.97188 GPRESSAVG: 4319800 14.731 -35.9763 -21.837 -34.8866 15.9763 52.6282 -20.1215 54.9931 -4.15348 TIMING: 4319800 CPU: 13709.6, 0.00314858/step Wall: 13709.6, 0.00314858/step, 0.594906 hours remaining, 240.039062 MB of memory in use. ENERGY: 4319800 4035.7867 20533.2763 14463.7379 244.2770 -203570.1962 2733.5401 0.0000 0.0000 51961.3017 -109598.2765 298.6223 -161559.5782 -109244.8911 299.6413 181.6480 200.4338 759591.9354 8.7297 8.8513 PRESSURE: 4320000 10.9871 42.5413 211.232 42.5421 11.4337 -83.9549 211.232 -83.9542 1.44675 GPRESSURE: 4320000 -67.2497 17.0988 134.809 -62.1559 44.8257 -50.1253 164.61 -49.8809 120.006 PRESSAVG: 4320000 -27.4812 -3.33837 -23.942 -3.33831 36.5901 -11.0332 -23.9421 -11.0333 9.00848 GPRESSAVG: 4320000 -27.8481 -3.91519 -24.2076 -3.52027 37.5198 -10.9614 -26.3866 -10.9008 8.27017 TIMING: 4320000 CPU: 13710.3, 0.00314191/step Wall: 13710.3, 0.00314191/step, 0.593472 hours remaining, 240.039062 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: 4320000 4066.8585 20630.8632 14486.4280 228.2354 -203972.2048 2726.8606 0.0000 0.0000 52071.2873 -109761.6719 299.2544 -161832.9592 -109399.3042 299.3299 7.9558 32.5274 760289.8328 6.0391 5.9806 PRESSURE: 4320200 14.2006 -173.274 -9.51404 -173.275 188.355 119.087 -9.5137 119.086 170.628 GPRESSURE: 4320200 209.967 24.2927 -87.5892 -166.175 159.253 173.448 20.0022 115.544 85.9882 PRESSAVG: 4320200 -64.6054 -24.9694 10.9112 -24.9694 30.593 -24.6964 10.9112 -24.6963 27.9572 GPRESSAVG: 4320200 -63.7874 -23.0705 9.48417 -25.1942 30.1337 -24.026 12.4911 -25.2731 27.6076 TIMING: 4320200 CPU: 13710.9, 0.00315332/step Wall: 13710.9, 0.00315332/step, 0.595452 hours remaining, 240.039062 MB of memory in use. ENERGY: 4320200 4002.2549 20592.8905 14571.2120 231.4061 -203710.4929 2556.5919 0.0000 0.0000 51918.5665 -109837.5710 298.3767 -161756.1376 -109479.9197 299.3807 124.3947 151.7362 759395.7200 -2.0184 -2.0154 LDB: ============= START OF LOAD BALANCING ============== 13723.3 LDB: ============== END OF LOAD BALANCING =============== 13723.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13723.3 LDB: ============= START OF LOAD BALANCING ============== 13723.7 LDB: Largest compute 7034 load 0.034251 is 17.5% of average load 0.195446 LDB: Average compute 0.004405 is 2.3% of average load 0.195446 LDB: TIME 13723.7 LOAD: AVG 0.195446 MAX 0.214055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13723.7 LOAD: AVG 0.195446 MAX 0.214055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 13723.7 LOAD: AVG 0.195446 MAX 0.214055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 13723.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13723.7 PRESSURE: 4320400 -17.6128 -277.606 160.883 -277.606 0.455031 78.0939 160.883 78.0938 -231.723 GPRESSURE: 4320400 90.7007 -294.785 182.058 -289.257 -63.056 16.4796 190.578 121.895 -192.504 PRESSAVG: 4320400 -10.1253 -41.6624 -26.0135 -41.6625 32.1587 22.195 -26.0135 22.1951 -15.529 GPRESSAVG: 4320400 -12.6182 -42.6386 -24.1805 -41.1999 32.5795 23.2384 -25.3221 20.9649 -14.4549 TIMING: 4320400 CPU: 13711.5, 0.00320893/step Wall: 13711.5, 0.00320893/step, 0.605775 hours remaining, 240.937500 MB of memory in use. ENERGY: 4320400 3923.1505 20590.1038 14459.4473 241.2264 -203729.5430 2801.0251 0.0000 0.0000 52059.8232 -109654.7667 299.1885 -161714.5899 -109285.9868 299.7388 -82.9602 -54.9530 758605.4233 2.1681 1.8354 PRESSURE: 4320600 -97.4554 64.6767 -27.363 64.6771 151.434 -75.8622 -27.3632 -75.8628 -199.29 GPRESSURE: 4320600 24.9782 49.5612 49.8876 10.9072 80.0085 -104.471 -123.167 -74.0875 -170.108 PRESSAVG: 4320600 19.8479 -25.8313 20.4037 -25.8313 -29.1493 4.48511 20.4037 4.4851 15.2731 GPRESSAVG: 4320600 21.9383 -26.8695 19.3799 -25.3557 -30.0675 2.96877 19.1785 7.1165 14.3249 TIMING: 4320600 CPU: 13712.2, 0.00314975/step Wall: 13712.2, 0.00314975/step, 0.594427 hours remaining, 241.082031 MB of memory in use. ENERGY: 4320600 3980.3993 20529.8071 14521.0820 252.5565 -203745.6657 2620.4184 0.0000 0.0000 52231.3443 -109610.0581 300.1743 -161841.4024 -109244.0435 299.3620 -48.4371 -21.7072 759144.6684 1.9906 2.0652 PRESSURE: 4320800 1.64016 -46.141 13.0161 -46.1406 136.294 -83.8157 13.0152 -83.8162 191.781 GPRESSURE: 4320800 66.1081 28.0563 -27.912 -62.1909 126.831 -58.0749 -28.7425 -121.664 215.066 PRESSAVG: 4320800 72.7997 -15.7591 15.1321 -15.7592 -27.0613 12.1975 15.1321 12.1975 22.9046 GPRESSAVG: 4320800 71.9889 -14.2994 15.7927 -17.1316 -26.7828 12.6327 15.154 10.4609 23.4781 TIMING: 4320800 CPU: 13712.8, 0.00314296/step Wall: 13712.8, 0.00314296/step, 0.592972 hours remaining, 241.082031 MB of memory in use. ENERGY: 4320800 3959.9006 20545.0329 14518.3225 248.2409 -203979.2487 2774.2094 0.0000 0.0000 52291.5196 -109642.0227 300.5201 -161933.5423 -109280.8076 299.4519 109.9052 136.0015 759490.9218 22.8810 22.8947 PRESSURE: 4321000 191.132 -69.9726 -47.9358 -69.9734 184.09 422.909 -47.936 422.91 83.3383 GPRESSURE: 4321000 251.344 -254.644 30.6129 1.64045 215.172 381.513 30.4338 311.264 55.4968 PRESSAVG: 4321000 -0.141859 -62.6936 16.9572 -62.6937 4.32063 46.528 16.9571 46.528 15.7041 GPRESSAVG: 4321000 -0.559485 -64.3045 17.3147 -61.6416 4.55996 45.5332 17.4286 46.6044 15.7376 TIMING: 4321000 CPU: 13713.4, 0.00315376/step Wall: 13713.4, 0.00315376/step, 0.594833 hours remaining, 241.082031 MB of memory in use. ENERGY: 4321000 3936.8308 20743.4579 14480.2686 242.4970 -204022.5972 2656.5689 0.0000 0.0000 52172.7094 -109790.2647 299.8373 -161962.9741 -109429.3717 299.3513 152.8533 174.0044 757340.4323 6.6276 6.5794 PRESSURE: 4321200 288.667 -29.5035 86.9944 -29.5032 134.3 -161.786 86.9943 -161.786 176.151 GPRESSURE: 4321200 203.843 -63.898 60.6581 -83.0611 214.575 -231.383 7.3447 -163.854 246.737 PRESSAVG: 4321200 -65.187 -25.0645 51.439 -25.0645 47.432 27.1134 51.439 27.1135 -2.07904 GPRESSAVG: 4321200 -66.2184 -24.4697 50.9822 -26.3906 47.414 27.7547 50.4724 27.197 -1.50211 TIMING: 4321200 CPU: 13714.1, 0.00315331/step Wall: 13714.1, 0.00315331/step, 0.594573 hours remaining, 241.082031 MB of memory in use. ENERGY: 4321200 3977.6801 20555.2848 14562.2908 259.4746 -203634.8471 2666.3913 0.0000 0.0000 52001.2640 -109612.4615 298.8520 -161613.7255 -109262.7637 299.3446 199.7060 221.7181 758684.7567 -6.6114 -6.7688 PRESSURE: 4321400 513.794 -92.7687 180.02 -92.7691 58.5441 56.3165 180.02 56.317 171.71 GPRESSURE: 4321400 449.687 -42.6977 182.311 -121.231 145.698 27.5138 202.143 110.248 233.775 PRESSAVG: 4321400 -59.0041 -80.1857 14.8988 -80.1856 50.689 -12.6433 14.8988 -12.6433 -1.11422 GPRESSAVG: 4321400 -59.2307 -79.0289 14.99 -80.0593 50.5009 -13.3176 15.5513 -11.0732 -0.515011 TIMING: 4321400 CPU: 13714.7, 0.00313218/step Wall: 13714.7, 0.00313218/step, 0.590417 hours remaining, 241.082031 MB of memory in use. ENERGY: 4321400 3991.1435 20421.7780 14499.9633 248.9108 -203348.8050 2499.8219 0.0000 0.0000 51937.5364 -109749.6511 298.4857 -161687.1875 -109377.5358 299.0202 248.0161 276.3867 761008.8045 -3.1431 -3.0816 PRESSURE: 4321600 131.934 263.518 -48.7867 263.518 -63.7692 -6.94874 -48.7863 -6.94858 568.169 GPRESSURE: 4321600 247.913 166.78 -113.788 213.203 -49.5763 15.5046 -157.214 -141.515 526.13 PRESSAVG: 4321600 25.9452 -37.5374 0.678847 -37.5374 -9.29401 -30.2399 0.678748 -30.2398 -9.57574 GPRESSAVG: 4321600 27.4032 -39.6492 -0.810306 -35.3238 -10.3652 -29.1953 1.00042 -31.4557 -9.76541 TIMING: 4321600 CPU: 13715.3, 0.00314793/step Wall: 13715.3, 0.00314793/step, 0.593211 hours remaining, 241.082031 MB of memory in use. ENERGY: 4321600 3976.0809 20589.4655 14424.2409 245.3134 -203736.2581 2689.7985 0.0000 0.0000 52052.5186 -109758.8403 299.1465 -161811.3589 -109390.5181 298.6243 212.1111 241.4888 761014.1203 2.3585 2.4242 PRESSURE: 4321800 -335.302 -160.704 -68.4596 -160.704 -43.757 -1.78548 -68.4594 -1.78575 111.591 GPRESSURE: 4321800 -260.294 -177.876 -59.1978 -51.8874 -39.8377 -59.2322 -6.28415 -22.2939 111.275 PRESSAVG: 4321800 10.8894 -56.8304 -27.9382 -56.8305 -12.2306 28.2117 -27.9383 28.2118 -7.58297 GPRESSAVG: 4321800 11.1027 -56.6288 -25.9254 -56.8972 -11.3623 27.3163 -30.7875 26.7964 -8.94424 TIMING: 4321800 CPU: 13715.9, 0.00314934/step Wall: 13715.9, 0.00314934/step, 0.593302 hours remaining, 241.082031 MB of memory in use. ENERGY: 4321800 3970.4282 20593.4430 14482.6970 245.2474 -203678.0452 2596.1746 0.0000 0.0000 51675.8607 -110114.1943 296.9819 -161790.0550 -109760.1833 298.4909 -89.1561 -62.9523 760808.2022 -2.9747 -3.0679 PRESSURE: 4322000 -16.6861 108.846 29.1492 108.846 -199.957 -111.746 29.1492 -111.746 451.38 GPRESSURE: 4322000 36.6506 161.741 4.63091 111.018 -138.326 -105.067 9.14743 -18.0272 412.561 PRESSAVG: 4322000 -33.0726 -45.9777 13.1182 -45.9776 9.17268 51.4284 13.1182 51.4284 -21.9438 GPRESSAVG: 4322000 -33.0826 -44.6148 12.4071 -47.7979 8.79588 51.5368 14.35 53.9225 -21.8998 TIMING: 4322000 CPU: 13716.6, 0.00316538/step Wall: 13716.6, 0.00316538/step, 0.596147 hours remaining, 241.082031 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: 4322000 3935.3593 20479.8783 14507.6562 238.1589 -203985.1355 2734.0531 0.0000 0.0000 52099.7488 -109990.2809 299.4180 -162090.0297 -109623.6672 297.8847 78.2456 103.6285 760593.1076 -15.2812 -15.3955 PRESSURE: 4322200 -265.175 -174.609 241.075 -174.608 230.593 53.0018 241.074 53.0006 322.439 GPRESSURE: 4322200 -240.715 -63.9151 245.219 -57.8406 229.05 23.9228 68.5934 -164.271 367.074 PRESSAVG: 4322200 16.3991 -19.9423 -56.543 -19.9423 -39.6917 0.64426 -56.543 0.64422 7.16369 GPRESSAVG: 4322200 16.0619 -20.5475 -56.0918 -16.6684 -39.615 1.71322 -57.0533 -2.20904 7.35242 TIMING: 4322200 CPU: 13717.2, 0.00316585/step Wall: 13717.2, 0.00316585/step, 0.596058 hours remaining, 241.082031 MB of memory in use. ENERGY: 4322200 3892.6441 20349.2978 14583.5768 242.6025 -203511.5718 2630.7280 0.0000 0.0000 51921.5328 -109891.1898 298.3938 -161812.7225 -109522.4308 298.2514 95.9526 118.4697 759506.5537 -5.3763 -5.4002 PRESSURE: 4322400 -483.189 272.195 -53.8179 272.196 -202.571 -79.1412 -53.8169 -79.14 41.6027 GPRESSURE: 4322400 -362.833 173.6 94.7579 187.986 -175.652 -74.0747 -9.04807 -81.6932 -1.0669 PRESSAVG: 4322400 31.1935 -40.5129 -59.9884 -40.5129 -24.3226 28.4459 -59.9884 28.4458 -2.05549 GPRESSAVG: 4322400 33.1222 -41.8691 -60.7063 -44.5392 -25.4057 27.2443 -59.4956 30.1672 -2.37904 TIMING: 4322400 CPU: 13717.8, 0.00316178/step Wall: 13717.8, 0.00316178/step, 0.595117 hours remaining, 241.082031 MB of memory in use. ENERGY: 4322400 4027.9139 20367.8610 14486.9209 234.8077 -203460.7295 2511.7817 0.0000 0.0000 52182.0083 -109649.4359 299.8907 -161831.4443 -109281.2936 298.6200 -214.7190 -179.8509 760823.8687 1.6051 1.7792 PRESSURE: 4322600 411.465 -151.214 180.644 -151.214 -200.753 -22.6512 180.644 -22.652 497.507 GPRESSURE: 4322600 433.214 -209.774 232.617 -137.483 -210.58 -16.5328 162.388 81.5325 579.559 PRESSAVG: 4322600 -25.2195 -56.7218 -67.8427 -56.7218 -26.5946 -15.0092 -67.8428 -15.0091 -8.70664 GPRESSAVG: 4322600 -26.7228 -57.6871 -66.9267 -53.893 -25.8578 -13.3868 -67.795 -15.5044 -8.092 TIMING: 4322600 CPU: 13718.5, 0.00316642/step Wall: 13718.5, 0.00316642/step, 0.595814 hours remaining, 241.082031 MB of memory in use. ENERGY: 4322600 3967.2093 20565.4472 14442.7182 237.4790 -203384.7758 2593.7110 0.0000 0.0000 52040.7524 -109537.4587 299.0789 -161578.2110 -109174.0608 298.9489 236.0732 267.3981 760379.7771 -20.1736 -20.2242 PRESSURE: 4322800 -12.0952 -402.839 18.7973 -402.839 228.605 -35.0556 18.7973 -35.0555 130.127 GPRESSURE: 4322800 83.0317 -343.716 -22.984 -327.94 217.689 -22.6392 -55.0066 -90.3311 120.487 PRESSAVG: 4322800 -18.3602 -117.116 -10.1556 -117.116 46.4113 6.23016 -10.1556 6.23008 4.60291 GPRESSAVG: 4322800 -18.4001 -115.114 -9.17082 -117.126 45.4916 3.22929 -12.7774 4.51969 5.36461 TIMING: 4322800 CPU: 13719.1, 0.00315489/step Wall: 13719.1, 0.00315489/step, 0.593471 hours remaining, 241.082031 MB of memory in use. ENERGY: 4322800 3938.3655 20597.5808 14555.1920 272.3933 -203471.0824 2525.2825 0.0000 0.0000 52164.3856 -109417.8827 299.7894 -161582.2683 -109065.2588 299.3163 115.5456 140.4026 760717.4215 10.8847 10.8187 PRESSURE: 4323000 241.638 -172.5 63.9159 -172.501 -214.205 -69.0553 63.9161 -69.0545 -230.436 GPRESSURE: 4323000 249.792 -148.312 -94.4067 -234.78 -127.052 -113.239 204.931 -170.801 -231.953 PRESSAVG: 4323000 -15.1722 -48.416 -16.5853 -48.416 -37.2983 -2.61094 -16.5853 -2.61099 -16.8066 GPRESSAVG: 4323000 -16.3506 -48.102 -19.988 -50.0189 -36.1281 -0.180322 -14.8663 -2.12576 -17.3979 TIMING: 4323000 CPU: 13719.7, 0.00314421/step Wall: 13719.7, 0.00314421/step, 0.591286 hours remaining, 241.082031 MB of memory in use. ENERGY: 4323000 4072.7557 20549.3359 14494.9503 254.0020 -203578.3507 2716.7254 0.0000 0.0000 52171.0033 -109319.5780 299.8275 -161490.5814 -108954.0401 299.3536 -67.6677 -36.4045 760389.8856 -23.0924 -23.2922 PRESSURE: 4323200 284.316 84.053 -233.746 84.0526 6.43433 -28.7199 -233.747 -28.7189 -28.4997 GPRESSURE: 4323200 282.901 87.6381 -307.398 88.2243 106.429 -136.795 -14.8935 -78.689 -30.6961 PRESSAVG: 4323200 -36.3589 -63.7204 -45.0811 -63.7204 44.055 5.4982 -45.0812 5.4981 -17.1016 GPRESSAVG: 4323200 -35.3928 -65.445 -43.8734 -61.5807 43.3153 4.45832 -43.106 8.09105 -17.7296 TIMING: 4323200 CPU: 13720.4, 0.00313773/step Wall: 13720.4, 0.00313773/step, 0.589893 hours remaining, 241.082031 MB of memory in use. ENERGY: 4323200 3949.0727 20555.3900 14560.6706 248.5533 -203193.4776 2387.8156 0.0000 0.0000 51975.2486 -109516.7266 298.7025 -161491.9753 -109145.2268 299.7056 87.4169 119.5446 761311.8802 -3.1351 -3.2690 PRESSURE: 4323400 -402.826 -381.839 -49.2387 -381.84 -258.887 -13.5062 -49.2392 -13.5067 148.104 GPRESSURE: 4323400 -335.923 -500.806 -32.9701 -279.08 -135.514 12.8251 3.99177 -43.3788 59.3205 PRESSAVG: 4323400 -34.2099 -53.8282 -88.0747 -53.8282 49.2856 -28.5378 -88.0746 -28.5378 -5.38158 GPRESSAVG: 4323400 -34.8864 -51.2692 -86.8373 -53.8784 50.6843 -29.1362 -89.0604 -29.6044 -6.42663 TIMING: 4323400 CPU: 13721, 0.00314746/step Wall: 13721, 0.00314746/step, 0.591548 hours remaining, 241.082031 MB of memory in use. ENERGY: 4323400 3967.6702 20539.7623 14548.5121 249.7600 -203391.9228 2414.1199 0.0000 0.0000 51820.9106 -109851.1876 297.8155 -161672.0982 -109484.9547 298.7608 -171.2030 -137.3724 760051.9862 3.2314 3.1237 PRESSURE: 4323600 -357.705 -54.1868 144.47 -54.187 258.409 -23.6004 144.47 -23.6003 -294.643 GPRESSURE: 4323600 -190.973 -0.470134 153.081 -17.2415 135.774 69.6317 58.0861 -67.0199 -261.938 PRESSAVG: 4323600 -58.19 -27.4891 -19.4766 -27.489 59.4303 -32.0306 -19.4766 -32.0307 7.15422 GPRESSAVG: 4323600 -58.8167 -29.6638 -20.0257 -26.1477 58.2942 -31.4509 -20.848 -30.9121 9.04868 TIMING: 4323600 CPU: 13721.6, 0.00313614/step Wall: 13721.6, 0.00313614/step, 0.589245 hours remaining, 241.082031 MB of memory in use. ENERGY: 4323600 3943.4227 20672.2230 14590.1174 237.4416 -203000.7736 1860.1962 0.0000 0.0000 51888.1113 -109809.2614 298.2017 -161697.3727 -109455.1021 298.8017 -131.3130 -105.7125 759791.0997 2.7982 2.8421 PRESSURE: 4323800 -298.635 47.4381 146.456 47.4381 -95.5497 -110.675 146.455 -110.674 -58.7652 GPRESSURE: 4323800 -234.075 30.9225 109.112 70.998 -147.412 -90.1518 117.072 -59.127 1.35255 PRESSAVG: 4323800 -95.637 1.70078 -50.5788 1.70078 51.0903 13.7274 -50.5789 13.7274 -15.096 GPRESSAVG: 4323800 -94.7849 4.08259 -50.422 -1.20657 51.5325 15.4803 -50.4101 12.4632 -16.5711 TIMING: 4323800 CPU: 13722.2, 0.00313294/step Wall: 13722.2, 0.00313294/step, 0.58847 hours remaining, 241.082031 MB of memory in use. ENERGY: 4323800 4001.1912 20441.0224 14431.2989 251.8262 -203785.8608 2780.9132 0.0000 0.0000 52053.9519 -109825.6570 299.1548 -161879.6089 -109466.4915 298.6430 -150.9832 -126.7115 759855.7228 -19.8809 -19.9412 PRESSURE: 4324000 401.49 -129.242 74.0778 -129.242 -81.5738 101.779 74.0767 101.78 538.186 GPRESSURE: 4324000 367.688 -99.7554 188.454 -66.0737 5.46203 118.734 42.5049 52.2581 553.081 PRESSAVG: 4324000 -22.2271 20.69 -13.7036 20.69 24.0829 -21.6276 -13.7037 -21.6276 -0.832365 GPRESSAVG: 4324000 -22.9453 17.4545 -14.4947 23.3993 23.1251 -23.9732 -13.5914 -21.7112 0.449991 TIMING: 4324000 CPU: 13722.9, 0.0031518/step Wall: 13722.9, 0.00315179/step, 0.591837 hours remaining, 241.082031 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: 4324000 3982.9809 20644.6298 14534.4258 246.4793 -203955.3723 2873.6499 0.0000 0.0000 51892.2209 -109780.9858 298.2253 -161673.2067 -109413.8469 298.8549 286.0342 308.7437 759282.0913 0.3411 0.2099 PRESSURE: 4324200 -414.097 -163.171 -6.29365 -163.171 -123.566 -92.1257 -6.29375 -92.1258 -187.254 GPRESSURE: 4324200 -350.388 -301.079 -4.15768 -143.446 -146.397 -124.223 -74.8515 -35.6517 -151.535 PRESSAVG: 4324200 -8.49101 -13.9926 5.46248 -13.9926 -21.9985 13.1153 5.46253 13.1153 3.75437 GPRESSAVG: 4324200 -8.19398 -12.4337 5.16444 -14.048 -22.5224 12.6994 5.56827 13.5867 4.18065 TIMING: 4324200 CPU: 13723.5, 0.00315655/step Wall: 13723.5, 0.00315656/step, 0.592556 hours remaining, 241.082031 MB of memory in use. ENERGY: 4324200 4018.7703 20496.1019 14477.9596 268.6254 -203195.5109 2371.7673 0.0000 0.0000 51848.8636 -109713.4228 297.9761 -161562.2864 -109346.1421 298.4530 -241.6387 -216.1069 761310.1148 -8.9117 -8.8452 LDB: ============= START OF LOAD BALANCING ============== 13736 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13736 LDB: =============== DONE WITH MIGRATION ================ 13736 LDB: ============= START OF LOAD BALANCING ============== 13736.3 LDB: Largest compute 7061 load 0.035288 is 18.0% of average load 0.195525 LDB: Average compute 0.004411 is 2.3% of average load 0.195525 LDB: TIME 13736.3 LOAD: AVG 0.195525 MAX 0.217667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13736.3 LOAD: AVG 0.195525 MAX 0.217667 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 13736.3 LOAD: AVG 0.195525 MAX 0.217667 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 13736.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13736.3 PRESSURE: 4324400 -230.115 -179.568 -75.5378 -179.568 152.54 50.9119 -75.5372 50.9117 -127.098 GPRESSURE: 4324400 -94.3829 -205.94 -118.537 -98.6625 165.407 60.3521 17.3226 83.6417 -188.26 PRESSAVG: 4324400 -44.6272 -1.69971 34.1924 -1.69974 37.3583 -1.96103 34.1923 -1.96103 20.4318 GPRESSAVG: 4324400 -45.0406 -0.632307 35.9028 -3.64891 39.0808 -0.146267 34.1219 0.222121 19.0861 TIMING: 4324400 CPU: 13724.1, 0.00323345/step Wall: 13724.1, 0.00323345/step, 0.606811 hours remaining, 239.527344 MB of memory in use. ENERGY: 4324400 3965.7242 20443.2211 14594.6662 257.2524 -203441.7652 2622.6613 0.0000 0.0000 51851.9875 -109706.2526 297.9941 -161558.2401 -109340.4445 298.5006 -68.2243 -39.0785 761270.6615 4.3876 4.3755 PRESSURE: 4324600 -237.284 -293.283 -53.3597 -293.283 -159.637 80.1219 -53.3593 80.1222 91.9549 GPRESSURE: 4324600 -173.725 -143.562 -65.6794 -249.847 -156.135 145.565 49.57 -43.6244 107.679 PRESSAVG: 4324600 -9.52215 7.4529 10.9554 7.45282 -2.87221 23.8044 10.9554 23.8044 4.76631 GPRESSAVG: 4324600 -8.64436 7.53578 8.58382 8.89791 -4.03259 23.1172 12.3522 18.8205 4.74321 TIMING: 4324600 CPU: 13724.8, 0.00315234/step Wall: 13724.8, 0.00315234/step, 0.591414 hours remaining, 239.527344 MB of memory in use. ENERGY: 4324600 4004.9349 20454.2927 14514.3567 249.7349 -203251.6865 2368.5805 0.0000 0.0000 51835.9066 -109823.8803 297.9017 -161659.7869 -109459.6514 298.4691 -101.6554 -74.0607 761204.3511 -2.5427 -2.6446 PRESSURE: 4324800 -410.635 89.5508 232.59 89.5509 -100.811 36.0447 232.59 36.0448 471.654 GPRESSURE: 4324800 -296.908 181.237 124.717 28.9402 -66.0855 57.5985 193.637 -79.216 383.793 PRESSAVG: 4324800 -7.15294 -42.4743 45.7059 -42.4743 8.24023 19.9853 45.7059 19.9853 27.2797 GPRESSAVG: 4324800 -7.49964 -42.7417 48.3229 -43.413 8.22019 19.4979 42.5782 22.4005 27.8792 TIMING: 4324800 CPU: 13725.4, 0.00314159/step Wall: 13725.4, 0.00314159/step, 0.589223 hours remaining, 239.527344 MB of memory in use. ENERGY: 4324800 3986.0330 20370.6497 14542.2887 251.6440 -203495.1102 2524.4684 0.0000 0.0000 52196.2113 -109623.8151 299.9723 -161820.0264 -109252.8377 298.6235 -13.2642 6.9332 760508.4045 9.4557 9.5332 PRESSURE: 4325000 -17.1999 44.7215 -2.56289 44.7207 201.94 -161.587 -2.56253 -161.587 92.1561 GPRESSURE: 4325000 48.5259 100.42 31.9202 112.578 169.041 -209.331 102.275 -68.544 140.034 PRESSAVG: 4325000 -44.091 -37.8455 7.047 -37.8455 18.8525 35.2521 7.04698 35.252 15.6332 GPRESSAVG: 4325000 -43.9614 -36.0389 5.71751 -37.7827 18.5233 35.0222 7.84636 35.5352 15.9394 TIMING: 4325000 CPU: 13726, 0.00315631/step Wall: 13726, 0.00315631/step, 0.591808 hours remaining, 239.527344 MB of memory in use. ENERGY: 4325000 4031.7695 20408.5702 14570.1279 242.3156 -203342.4274 2759.7687 0.0000 0.0000 51863.1160 -109466.7595 298.0580 -161329.8755 -109112.0435 298.5497 92.2987 119.2005 761952.2366 -3.2018 -3.1662 PRESSURE: 4325200 -58.9953 -46.9246 -306.968 -46.9244 -8.58356 148.234 -306.968 148.234 -171.748 GPRESSURE: 4325200 30.9484 -117.395 -243.727 48.4368 17.9073 171.05 -207.981 -47.6081 -191.883 PRESSAVG: 4325200 -18.7539 -49.0847 15.9378 -49.0847 15.9127 33.2104 15.9379 33.2105 16.8101 GPRESSAVG: 4325200 -19.7996 -51.2011 16.9835 -48.7838 16.0403 33.5005 16.1678 31.721 17.6204 TIMING: 4325200 CPU: 13726.7, 0.00314699/step Wall: 13726.7, 0.00314699/step, 0.589887 hours remaining, 239.527344 MB of memory in use. ENERGY: 4325200 3992.9310 20437.6985 14517.4093 249.7113 -203069.2441 2560.5308 0.0000 0.0000 52068.8620 -109242.1011 299.2405 -161310.9631 -108875.7981 298.7090 -79.7755 -47.6757 763339.4572 4.6563 4.6203 PRESSURE: 4325400 -290.892 -89.4386 -166.042 -89.4393 -115.304 257.584 -166.042 257.584 -1.75281 GPRESSURE: 4325400 -247.956 -156.787 -232.949 -103.075 -71.7571 250.569 -101.481 217.782 1.71981 PRESSAVG: 4325400 21.8161 -23.1856 13.9495 -23.1857 13.1337 43.8906 13.9495 43.8905 -4.82528 GPRESSAVG: 4325400 25.3762 -24.2784 12.751 -23.9015 12.5596 43.9283 14.6845 45.0078 -7.32504 TIMING: 4325400 CPU: 13727.3, 0.00315104/step Wall: 13727.3, 0.00315104/step, 0.590469 hours remaining, 239.527344 MB of memory in use. ENERGY: 4325400 3991.4332 20553.9259 14514.5984 246.9641 -203473.9498 2914.1679 0.0000 0.0000 51917.5089 -109335.3515 298.3706 -161252.8603 -108982.1166 299.3090 -135.9830 -105.9977 762606.6940 10.0415 10.2036 PRESSURE: 4325600 -368.243 -43.2334 -146.483 -43.2332 -297.132 144.269 -146.484 144.268 -126.543 GPRESSURE: 4325600 -342.778 -190.514 -189.955 76.0872 -172.302 183.009 -138.109 219.909 -206.803 PRESSAVG: 4325600 -23.849 17.856 1.45897 17.856 6.00584 1.01777 1.45896 1.01781 3.34945 GPRESSAVG: 4325600 -25.401 19.0478 2.37191 17.6308 5.57357 2.31103 2.60337 0.256735 5.17635 TIMING: 4325600 CPU: 13727.9, 0.0031677/step Wall: 13727.9, 0.0031677/step, 0.593416 hours remaining, 239.527344 MB of memory in use. ENERGY: 4325600 3989.2966 20477.3050 14471.2465 240.5696 -202897.4487 2346.6244 0.0000 0.0000 52141.4354 -109230.9712 299.6575 -161372.4066 -108866.5454 299.5652 -263.9727 -240.6279 763310.7173 -4.8312 -4.8837 PRESSURE: 4325800 525.41 4.25199 50.1706 4.25162 354.547 -141.773 50.1707 -141.774 57.7125 GPRESSURE: 4325800 632.674 -8.25403 36.7737 44.9958 298.729 -74.5014 130.275 -107.411 101.551 PRESSAVG: 4325800 -48.4911 -43.6052 -4.32429 -43.6052 -12.286 -2.19843 -4.32426 -2.19846 21.9781 GPRESSAVG: 4325800 -48.0357 -44.1708 -3.62196 -43.0224 -11.2828 -3.29328 -5.62105 -0.235594 20.3945 TIMING: 4325800 CPU: 13728.6, 0.00315444/step Wall: 13728.6, 0.00315444/step, 0.590756 hours remaining, 239.527344 MB of memory in use. ENERGY: 4325800 4013.2058 20427.8713 14485.3748 267.0339 -203625.2974 2975.9191 0.0000 0.0000 52117.8447 -109338.0478 299.5220 -161455.8925 -108982.9723 299.7317 312.5565 344.3180 761877.4937 -12.9330 -12.9747 PRESSURE: 4326000 153.723 -50.0364 -6.23179 -50.0363 -413.035 -133.926 -6.23205 -133.926 85.8381 GPRESSURE: 4326000 251.347 -12.5587 20.473 -75.7216 -417.625 -199.896 -87.3551 -202.485 72.4006 PRESSAVG: 4326000 17.3807 -10.4029 -31.169 -10.4029 -11.0507 -24.4383 -31.169 -24.4382 -14.0683 GPRESSAVG: 4326000 15.7404 -9.27107 -31.1989 -12.9429 -10.2158 -24.4966 -30.8688 -25.4176 -13.1962 TIMING: 4326000 CPU: 13729.2, 0.00316113/step Wall: 13729.2, 0.00316113/step, 0.591834 hours remaining, 239.527344 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: 4326000 4027.3485 20611.8998 14508.5365 239.0353 -202995.7912 2515.9467 0.0000 0.0000 51764.9033 -109328.1210 297.4936 -161093.0243 -108973.6949 298.9361 -57.8245 -31.2926 762487.7871 -2.5794 -2.5572 PRESSURE: 4326200 288.379 30.2146 92.5928 30.215 -67.2045 129.891 92.5922 129.89 257.126 GPRESSURE: 4326200 302.047 -41.5702 35.5764 -5.26305 49.6707 123.317 108.165 104.043 215.949 PRESSAVG: 4326200 -54.2816 -23.3543 8.4301 -23.3543 -29.5526 -59.1451 8.4301 -59.1451 9.15926 GPRESSAVG: 4326200 -52.8691 -22.8477 9.71692 -23.0568 -30.8355 -61.4047 7.96481 -59.5059 9.50137 TIMING: 4326200 CPU: 13729.8, 0.00316783/step Wall: 13729.8, 0.00316783/step, 0.592911 hours remaining, 239.527344 MB of memory in use. ENERGY: 4326200 4040.9103 20507.6860 14539.8046 246.5009 -203277.9218 2594.3490 0.0000 0.0000 52115.8042 -109232.8667 299.5102 -161348.6709 -108865.5205 299.1754 159.4338 189.2220 763132.4683 -24.8917 -24.7344 PRESSURE: 4326400 41.7026 8.95705 31.3281 8.95649 -84.2596 85.221 31.327 85.2209 158.449 GPRESSURE: 4326400 44.9178 -23.4197 -21.5488 115.262 -10.7067 115.689 -104.468 53.1925 175.435 PRESSAVG: 4326400 -9.84782 -13.8205 35.1286 -13.8204 36.3626 24.6169 35.1286 24.6169 -13.8754 GPRESSAVG: 4326400 -11.5144 -15.2905 32.9106 -10.105 38.8462 26.8099 36.143 25.2156 -14.4291 TIMING: 4326400 CPU: 13730.5, 0.00315871/step Wall: 13730.5, 0.00315871/step, 0.591031 hours remaining, 239.527344 MB of memory in use. ENERGY: 4326400 3973.1296 20495.1097 14550.9651 236.7889 -203283.7591 2639.7466 0.0000 0.0000 51941.5677 -109446.4515 298.5089 -161388.0193 -109083.0955 299.3150 38.6306 69.8821 760747.8862 4.2131 4.3009 PRESSURE: 4326600 31.1315 -208.598 52.4388 -208.599 59.1289 -5.59003 52.4377 -5.59032 405.082 GPRESSURE: 4326600 123.861 -198.369 177.968 -291.942 36.2823 -0.695535 -63.0086 -102.544 405.805 PRESSAVG: 4326600 -45.2259 -26.1744 -6.68679 -26.1744 20.0003 51.7545 -6.68679 51.7545 11.937 GPRESSAVG: 4326600 -43.7611 -26.6403 -5.02843 -29.9395 19.0702 51.6009 -8.72546 50.6706 11.1825 TIMING: 4326600 CPU: 13731.1, 0.00315494/step Wall: 13731.1, 0.00315494/step, 0.59015 hours remaining, 239.527344 MB of memory in use. ENERGY: 4326600 3918.2562 20328.0558 14518.2223 241.4303 -203142.9622 2635.6642 0.0000 0.0000 52160.5323 -109340.8010 299.7673 -161501.3333 -108975.5997 299.3901 165.1140 188.6495 760080.6072 -4.4295 -4.5028 PRESSURE: 4326800 -235.477 -135.05 58.4613 -135.051 14.9828 52.1847 58.4608 52.1844 252.394 GPRESSURE: 4326800 -220.362 -205.218 -20.9116 -138.508 80.4403 7.6244 108.035 172.938 261.642 PRESSAVG: 4326800 17.551 -52.6063 18.0363 -52.6063 8.86217 0.290949 18.0363 0.291043 -5.0371 GPRESSAVG: 4326800 17.3569 -52.0229 16.8801 -50.0988 9.3556 1.68053 19.3871 1.39902 -5.6478 TIMING: 4326800 CPU: 13731.7, 0.00316664/step Wall: 13731.7, 0.00316664/step, 0.592162 hours remaining, 239.527344 MB of memory in use. ENERGY: 4326800 4031.8354 20499.0078 14479.0513 252.6354 -203859.0252 2829.8180 0.0000 0.0000 52287.5426 -109479.1345 300.4972 -161766.6771 -109118.8532 299.6756 10.6333 40.5736 761541.2637 7.1254 7.0216 PRESSURE: 4327000 -55.7153 -45.0238 136.694 -45.0238 -60.7589 -64.3898 136.694 -64.3899 284.041 GPRESSURE: 4327000 0.961901 -48.8621 57.7309 -175.263 -50.5412 -80.6478 166.373 -189.914 304.919 PRESSAVG: 4327000 -15.1104 -5.38631 -6.62164 -5.38632 8.37468 -51.8126 -6.62158 -51.8126 -12.8984 GPRESSAVG: 4327000 -14.5578 -4.66903 -6.8184 -7.16252 6.73933 -53.8739 -7.05954 -52.8738 -12.0886 TIMING: 4327000 CPU: 13732.4, 0.00315523/step Wall: 13732.4, 0.00315523/step, 0.589852 hours remaining, 239.527344 MB of memory in use. ENERGY: 4327000 3913.6568 20434.6963 14487.0940 237.3948 -203436.5524 2674.5280 0.0000 0.0000 52302.1054 -109387.0771 300.5809 -161689.1825 -109017.8759 299.2882 55.8557 85.1134 762012.5631 -6.5447 -6.6357 PRESSURE: 4327200 54.7481 -54.5056 -15.5154 -54.506 -70.3213 -101.246 -15.5158 -101.247 93.9643 GPRESSURE: 4327200 40.9712 -79.638 34.8816 -36.2323 -0.00230114 -174.646 -178.837 30.0909 116.452 PRESSAVG: 4327200 29.8225 -51.1847 -9.17214 -51.1846 -26.1776 -13.7898 -9.17214 -13.7897 0.580784 GPRESSAVG: 4327200 29.6424 -54.2412 -8.80306 -48.4145 -26.9026 -12.2577 -9.96002 -13.0978 1.8019 TIMING: 4327200 CPU: 13733, 0.00316274/step Wall: 13733, 0.00316274/step, 0.591081 hours remaining, 239.527344 MB of memory in use. ENERGY: 4327200 4011.0683 20600.6556 14571.4458 266.3580 -203864.1675 3042.0113 0.0000 0.0000 51961.7544 -109410.8742 298.6249 -161372.6286 -109051.0553 299.6550 26.1304 52.4738 761919.1592 1.4086 1.5139 PRESSURE: 4327400 23.5549 -7.61125 -208.615 -7.61196 -148.733 -47.9255 -208.616 -47.9244 145.448 GPRESSURE: 4327400 45.0213 -38.283 -145.018 -81.3241 -136.045 -115.14 -328.059 2.88023 177.372 PRESSAVG: 4327400 3.3629 -17.987 -53.8534 -17.987 17.2563 35.2294 -53.8534 35.2294 2.11618 GPRESSAVG: 4327400 3.6581 -16.5275 -55.7072 -19.9713 18.6358 35.2331 -51.1746 34.1662 0.666669 TIMING: 4327400 CPU: 13733.6, 0.00317461/step Wall: 13733.6, 0.00317461/step, 0.593123 hours remaining, 239.527344 MB of memory in use. ENERGY: 4327400 3990.8100 20336.5531 14517.7892 266.5063 -203671.7571 2870.1922 0.0000 0.0000 52294.8906 -109395.0157 300.5395 -161689.9063 -109029.8336 299.6380 6.7568 28.7830 763204.2959 7.5785 7.6535 PRESSURE: 4327600 -27.9839 43.699 -18.8468 43.6978 -131.111 282.072 -18.8473 282.072 12.3075 GPRESSURE: 4327600 46.8192 90.6999 73.9265 43.9073 -109.788 265.005 51.8702 123.613 1.49512 PRESSAVG: 4327600 -63.654 -1.08913 -6.34235 -1.08911 25.8445 -0.254119 -6.34236 -0.254162 9.53563 GPRESSAVG: 4327600 -64.6443 -1.8348 -4.10839 0.788661 26.0798 0.0136747 -5.60701 0.209893 9.97423 TIMING: 4327600 CPU: 13734.3, 0.00315801/step Wall: 13734.3, 0.003158/step, 0.589845 hours remaining, 239.527344 MB of memory in use. ENERGY: 4327600 4004.9950 20445.6670 14501.0877 260.0235 -203691.3243 2613.3259 0.0000 0.0000 52257.3620 -109608.8631 300.3238 -161866.2251 -109247.6760 299.0994 -48.9292 -20.4910 762728.9566 -9.4246 -9.5301 PRESSURE: 4327800 -161.95 -132.046 -240.126 -132.046 -65.554 127.264 -240.126 127.263 37.6112 GPRESSURE: 4327800 -69.2158 -158.779 -142.542 -21.872 -117.254 135.674 -252.56 141.426 99.4561 PRESSAVG: 4327800 -19.0203 -9.23524 -29.6638 -9.23527 16.5766 -30.2794 -29.6638 -30.2794 -20.5317 GPRESSAVG: 4327800 -18.9613 -7.36541 -29.9285 -11.0773 15.4397 -31.2644 -30.3916 -30.1782 -19.4112 TIMING: 4327800 CPU: 13734.9, 0.00318349/step Wall: 13734.9, 0.00318349/step, 0.594429 hours remaining, 239.527344 MB of memory in use. ENERGY: 4327800 3881.3060 20418.8010 14548.3909 260.9747 -203354.2303 2675.5093 0.0000 0.0000 51950.3380 -109618.9105 298.5593 -161569.2485 -109254.5205 299.2732 -63.2977 -29.0045 762849.3704 -7.6585 -7.6443 PRESSURE: 4328000 71.6892 -14.2444 41.6122 -14.2445 55.6327 -56.8202 41.6119 -56.8199 -136.913 GPRESSURE: 4328000 124.079 11.1562 -5.45563 -43.1964 116.655 -109.672 8.54654 -40.2874 -155.012 PRESSAVG: 4328000 44.5805 -36.7911 -9.38631 -36.7912 -36.9276 -14.2049 -9.38629 -14.2049 0.0286654 GPRESSAVG: 4328000 44.4778 -36.6282 -11.3446 -35.3544 -36.5127 -15.1957 -9.79229 -14.2751 -0.920787 TIMING: 4328000 CPU: 13735.5, 0.00317753/step Wall: 13735.5, 0.00317753/step, 0.593139 hours remaining, 239.527344 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: 4328000 3995.9794 20492.6812 14491.8209 244.2952 -203165.0617 2445.8422 0.0000 0.0000 52000.8199 -109493.6230 298.8494 -161494.4429 -109135.9706 299.1153 -3.1971 28.5738 761690.5421 2.5605 2.3481 PRESSURE: 4328200 100.797 -88.6991 262.715 -88.6991 39.1047 89.6896 262.715 89.6898 71.0612 GPRESSURE: 4328200 147.151 -68.2437 174.57 -67.7671 80.6145 199.959 201.074 32.4079 76.1355 PRESSAVG: 4328200 29.2661 9.57908 -13.4102 9.57907 -32.9964 5.26512 -13.4102 5.26518 14.3965 GPRESSAVG: 4328200 27.8523 11.404 -12.6027 7.83279 -31.0792 4.87207 -11.6892 5.32033 13.7377 TIMING: 4328200 CPU: 13736.2, 0.00316756/step Wall: 13736.2, 0.00316756/step, 0.591102 hours remaining, 239.527344 MB of memory in use. ENERGY: 4328200 3918.5459 20406.7733 14528.5111 254.1656 -203150.7635 2556.6976 0.0000 0.0000 52077.8656 -109408.2043 299.2922 -161486.0700 -109050.3523 300.0497 70.3211 101.3005 760812.7046 3.5554 3.5036 LDB: ============= START OF LOAD BALANCING ============== 13748.6 LDB: ============== END OF LOAD BALANCING =============== 13748.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13748.6 LDB: ============= START OF LOAD BALANCING ============== 13748.9 LDB: Largest compute 7032 load 0.034550 is 17.7% of average load 0.195449 LDB: Average compute 0.004388 is 2.2% of average load 0.195449 LDB: TIME 13748.9 LOAD: AVG 0.195449 MAX 0.21548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.07 MB LDB: TIME 13748.9 LOAD: AVG 0.195449 MAX 0.21548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: TIME 13748.9 LOAD: AVG 0.195449 MAX 0.21548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.07 MB LDB: ============== END OF LOAD BALANCING =============== 13748.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13748.9 PRESSURE: 4328400 -15.0255 -40.8167 257.267 -40.8173 95.8102 -219.924 257.267 -219.924 -67.4248 GPRESSURE: 4328400 -39.5754 16.9161 227.621 -110.865 147.834 -131.895 270.469 -158.43 -31.262 PRESSAVG: 4328400 27.7681 16.1435 8.50129 16.1435 28.3247 -13.2586 8.50125 -13.2586 5.69837 GPRESSAVG: 4328400 29.9316 13.5199 9.64386 16.9145 27.6314 -13.1457 6.2462 -12.4043 3.87058 TIMING: 4328400 CPU: 13736.8, 0.00322554/step Wall: 13736.8, 0.00322555/step, 0.601743 hours remaining, 240.550781 MB of memory in use. ENERGY: 4328400 4006.2045 20409.2204 14467.6268 248.1929 -203553.4766 2661.6820 0.0000 0.0000 52050.9122 -109709.6377 299.1373 -161760.5500 -109354.9675 299.3486 4.4533 25.6656 762856.0233 20.5970 20.4779 PRESSURE: 4328600 323.751 202.717 -182.457 202.717 26.4054 67.8049 -182.457 67.8051 178.661 GPRESSURE: 4328600 320.695 204.314 -179.27 145.754 68.8879 36.6054 -273.747 123.389 219.665 PRESSAVG: 4328600 0.401248 76.1009 -2.67291 76.1009 -15.6701 -31.5896 -2.67287 -31.5896 -0.289744 GPRESSAVG: 4328600 -1.89459 75.8949 -3.81508 76.2021 -16.6003 -32.0337 -1.81705 -29.7847 2.80541 TIMING: 4328600 CPU: 13737.4, 0.00317071/step Wall: 13737.4, 0.00317071/step, 0.591337 hours remaining, 240.550781 MB of memory in use. ENERGY: 4328600 3949.8442 20516.1139 14519.9995 242.6508 -203877.5790 2961.8268 0.0000 0.0000 51991.6951 -109695.4487 298.7970 -161687.1437 -109346.0314 298.5710 176.2727 203.0825 762110.1001 -5.1862 -5.2298 PRESSURE: 4328800 339.81 -108.063 11.4561 -108.063 -10.1665 218.553 11.457 218.554 173.35 GPRESSURE: 4328800 283.148 9.47874 -90.1468 -8.36025 11.6917 253.21 44.3737 219.652 279.02 PRESSAVG: 4328800 -18.3577 15.5445 7.81327 15.5445 4.57885 3.09245 7.81327 3.09249 15.5162 GPRESSAVG: 4328800 -17.9854 17.0111 9.05942 15.7682 5.08118 6.06288 7.27303 0.309509 14.624 TIMING: 4328800 CPU: 13738.1, 0.00317188/step Wall: 13738.1, 0.00317188/step, 0.59138 hours remaining, 240.550781 MB of memory in use. ENERGY: 4328800 3953.1334 20543.0754 14508.3517 247.1098 -203497.7747 2714.7624 0.0000 0.0000 51979.2584 -109552.0836 298.7255 -161531.3419 -109190.1629 299.3594 167.6645 191.2863 762667.8799 0.5791 0.5733 PRESSURE: 4329000 -9.52454 -0.598965 -148.864 -0.598741 35.0144 -58.2396 -148.864 -58.239 -468.704 GPRESSURE: 4329000 11.1718 25.6239 -199.506 -90.3703 35.8142 -98.2822 -248.165 -185.858 -426.396 PRESSAVG: 4329000 23.9196 34.7284 -2.87908 34.7284 -46.6305 -34.7664 -2.87915 -34.7665 2.13621 GPRESSAVG: 4329000 23.9567 36.2088 -3.61176 33.8898 -47.331 -36.6833 -2.70821 -36.5706 2.27968 TIMING: 4329000 CPU: 13738.7, 0.00316387/step Wall: 13738.7, 0.00316387/step, 0.589711 hours remaining, 240.550781 MB of memory in use. ENERGY: 4329000 4096.5259 20380.7897 14551.6483 239.5329 -203346.3867 2587.9744 0.0000 0.0000 51889.5623 -109600.3533 298.2100 -161489.9156 -109245.2566 298.7855 -147.7381 -126.4700 762766.1458 -6.8582 -7.0315 PRESSURE: 4329200 203.026 2.91121 106.112 2.91203 25.6723 -257.861 106.112 -257.861 -260.645 GPRESSURE: 4329200 254.027 83.3261 10.1174 45.2053 101.335 -269.218 174.662 -197.543 -281.864 PRESSAVG: 4329200 26.8051 16.0807 17.8443 16.0808 -14.8858 -38.514 17.8443 -38.514 -23.1713 GPRESSAVG: 4329200 27.0118 14.9709 19.2729 16.4362 -16.1194 -38.0499 16.2162 -37.24 -22.5689 TIMING: 4329200 CPU: 13739.3, 0.00316965/step Wall: 13739.3, 0.00316965/step, 0.590611 hours remaining, 240.550781 MB of memory in use. ENERGY: 4329200 3975.5541 20449.3524 14463.0785 233.0656 -203010.7945 2353.9742 0.0000 0.0000 52023.9028 -109511.8670 298.9821 -161535.7698 -109162.5020 299.1040 -10.6488 24.4995 762317.8742 -3.7507 -3.8922 PRESSURE: 4329400 67.5251 -57.2231 49.7765 -57.2237 -194.77 -60.4106 49.777 -60.4097 48.2015 GPRESSURE: 4329400 117.412 15.0063 63.375 -2.44028 -145.425 -27.0818 -72.4845 -123.275 32.7273 PRESSAVG: 4329400 -10.9686 -28.9583 22.7755 -28.9584 31.6033 -28.9486 22.7755 -28.9486 -12.9295 GPRESSAVG: 4329400 -10.4011 -28.4324 23.2872 -28.6323 31.806 -28.9518 23.0391 -27.5381 -13.6085 TIMING: 4329400 CPU: 13740, 0.00317425/step Wall: 13740, 0.00317425/step, 0.591292 hours remaining, 240.550781 MB of memory in use. ENERGY: 4329400 3948.4327 20496.0176 14523.6760 260.3713 -203335.0210 2590.5745 0.0000 0.0000 52172.3018 -109343.6470 299.8349 -161515.9488 -108971.7208 299.5955 -26.3477 1.5713 760271.9227 2.5684 2.5988 PRESSURE: 4329600 -354.341 86.0767 3.79792 86.0764 126.907 234.908 3.79815 234.908 -130.575 GPRESSURE: 4329600 -246.425 20.8249 55.4388 211.752 78.2044 224.907 -60.5352 167 -85.9858 PRESSAVG: 4329600 -30.323 -14.2294 11.7332 -14.2293 -42.2972 -53.0957 11.7331 -53.0957 5.60729 GPRESSAVG: 4329600 -31.3321 -13.4828 10.5734 -15.7225 -42.0874 -53.0936 12.1897 -53.4359 6.00525 TIMING: 4329600 CPU: 13740.6, 0.00318238/step Wall: 13740.6, 0.00318238/step, 0.592629 hours remaining, 240.550781 MB of memory in use. ENERGY: 4329600 3977.4723 20562.8551 14549.9011 239.8203 -203389.6782 2432.7926 0.0000 0.0000 52183.1153 -109443.7215 299.8971 -161626.8368 -109077.7854 299.0143 -119.3363 -84.7356 760615.0087 -22.3376 -22.4714 PRESSURE: 4329800 -100.324 -79.2092 110.086 -79.2091 214.148 -174.767 110.086 -174.765 -220.37 GPRESSURE: 4329800 -129.217 49.9604 157.195 -195.47 266.494 -243.251 54.3418 -267.571 -159.533 PRESSAVG: 4329800 -33.6675 -45.5271 1.19094 -45.5271 23.5903 -6.71831 1.1909 -6.71823 -11.2153 GPRESSAVG: 4329800 -33.8776 -46.7226 -0.0152698 -43.934 23.7652 -8.05592 2.00007 -6.81386 -11.4456 TIMING: 4329800 CPU: 13741.2, 0.0031876/step Wall: 13741.2, 0.0031876/step, 0.593425 hours remaining, 240.550781 MB of memory in use. ENERGY: 4329800 4044.8422 20354.3100 14504.8781 248.5645 -203505.5969 2604.7618 0.0000 0.0000 52380.3984 -109367.8418 301.0309 -161748.2402 -109010.3980 299.5934 -35.5156 -7.4188 760214.3698 -7.0975 -7.1860 PRESSURE: 4330000 -0.755936 134.208 137.846 134.209 180.619 -56.1246 137.847 -56.1236 -232.811 GPRESSURE: 4330000 54.1462 156.156 215.718 174.829 217.64 -81.0335 49.2651 -63.2528 -252.491 PRESSAVG: 4330000 -48.803 -16.1115 -22.8624 -16.1114 13.2626 -61.145 -22.8624 -61.1449 -19.3453 GPRESSAVG: 4330000 -48.7245 -13.8275 -21.7973 -17.5612 13.0747 -59.9024 -23.9575 -59.553 -19.7824 TIMING: 4330000 CPU: 13741.9, 0.00318291/step Wall: 13741.9, 0.00318291/step, 0.592376 hours remaining, 240.550781 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: 4330000 3995.8038 20589.5258 14431.4064 254.9585 -203473.1691 2563.7857 0.0000 0.0000 52159.7660 -109477.9229 299.7629 -161637.6889 -109117.9907 299.6334 -17.6492 6.4320 759485.0166 -18.2952 -18.4774 PRESSURE: 4330200 -137.529 109.417 -46.5708 109.417 118.501 -186.212 -46.5711 -186.212 -244.9 GPRESSURE: 4330200 -137.725 78.2761 -17.8789 84.3546 138.91 -82.082 -49.6707 -160.801 -199.916 PRESSAVG: 4330200 -23.5678 -29.7368 18.2032 -29.7367 64.436 -3.83365 18.2033 -3.8337 -20.7469 GPRESSAVG: 4330200 -23.2218 -30.0497 17.2951 -30.1432 63.8329 -3.63404 19.2047 -6.79046 -20.3327 TIMING: 4330200 CPU: 13742.5, 0.00317923/step Wall: 13742.5, 0.00317923/step, 0.591513 hours remaining, 240.550781 MB of memory in use. ENERGY: 4330200 4004.0672 20649.3467 14480.7607 236.0473 -203027.4519 2127.0699 0.0000 0.0000 52040.1289 -109490.0312 299.0753 -161530.1601 -109124.8522 299.7476 -87.9757 -66.2438 760404.0467 6.7071 6.7595 PRESSURE: 4330400 -156.155 67.1993 271.819 67.2 -249.754 -73.6702 271.818 -73.6704 243.38 GPRESSURE: 4330400 -155.379 42.5236 222.7 44.0475 -210.556 -107.444 244.912 -74.4634 289.138 PRESSAVG: 4330400 -83.8209 52.2127 -11.2404 52.2127 68.5087 -8.94471 -11.2404 -8.94472 30.6786 GPRESSAVG: 4330400 -84.4571 49.2109 -10.4831 54.4403 69.9784 -8.85667 -9.88208 -9.25184 30.1914 TIMING: 4330400 CPU: 13743.2, 0.00318521/step Wall: 13743.2, 0.00318521/step, 0.592449 hours remaining, 240.550781 MB of memory in use. ENERGY: 4330400 3924.2171 20520.1017 14382.3982 241.0045 -203449.9934 2639.9897 0.0000 0.0000 52170.3107 -109571.9715 299.8235 -161742.2822 -109209.5061 299.0146 -54.1763 -25.5992 759670.1842 5.1221 5.2376 PRESSURE: 4330600 319.561 -24.3194 131.594 -24.3199 34.6854 100.516 131.593 100.516 -34.2703 GPRESSURE: 4330600 321.485 -89.6783 114.362 15.1383 128.819 117.482 119.818 48.4257 -27.9621 PRESSAVG: 4330600 -33.9228 -29.0552 16.7809 -29.0552 29.2359 31.7627 16.7809 31.7627 -9.1922 GPRESSAVG: 4330600 -33.6583 -28.1465 17.4464 -29.1185 29.2447 31.1433 14.7915 34.6329 -8.59071 TIMING: 4330600 CPU: 13743.8, 0.00317649/step Wall: 13743.8, 0.00317649/step, 0.59065 hours remaining, 240.550781 MB of memory in use. ENERGY: 4330600 3989.4146 20509.1994 14400.8929 234.0453 -203420.8067 2640.1996 0.0000 0.0000 52042.0207 -109605.0342 299.0862 -161647.0549 -109240.4216 299.6479 106.6587 140.7805 760158.4390 -4.6264 -4.3348 PRESSURE: 4330800 -344.219 27.0306 -229.967 27.0309 -322.895 95.2624 -229.966 95.2624 -279.235 GPRESSURE: 4330800 -347.125 -13.4668 -254.612 64.4278 -248.349 136.578 -198.8 125.078 -271.533 PRESSAVG: 4330800 -45.2309 -10.4008 -4.20462 -10.4008 27.2978 72.2377 -4.2046 72.2377 -8.15149 GPRESSAVG: 4330800 -44.8443 -9.55717 -4.84221 -9.96452 26.6698 72.2775 -3.97752 71.4898 -8.25085 TIMING: 4330800 CPU: 13744.4, 0.00314744/step Wall: 13744.4, 0.00314744/step, 0.585075 hours remaining, 240.550781 MB of memory in use. ENERGY: 4330800 4052.0229 20435.1995 14417.4996 256.1521 -203416.5149 2474.9794 0.0000 0.0000 52071.5932 -109709.0683 299.2562 -161780.6615 -109355.2669 299.2483 -315.4495 -289.0023 760888.0680 -8.6949 -8.8085 PRESSURE: 4331000 -269.394 47.1815 -141.48 47.1812 -143.844 21.5951 -141.48 21.5948 -104.735 GPRESSURE: 4331000 -235.845 46.694 -190.122 10.4724 -114.361 42.6656 -156.298 62.1506 -108.552 PRESSAVG: 4331000 -25.2942 -17.8042 -9.62727 -17.8042 25.6279 28.7921 -9.62733 28.7921 9.89486 GPRESSAVG: 4331000 -25.5171 -17.957 -8.47278 -18.5252 25.8303 28.7528 -10.0611 29.2886 10.0515 TIMING: 4331000 CPU: 13745.1, 0.00315506/step Wall: 13745.1, 0.00315506/step, 0.586315 hours remaining, 240.550781 MB of memory in use. ENERGY: 4331000 4053.2097 20383.2873 14486.5545 240.7499 -202948.8186 2356.9928 0.0000 0.0000 51754.2242 -109673.8001 297.4322 -161428.0243 -109304.1919 299.0875 -172.6576 -152.9192 760900.7618 3.4095 3.4549 PRESSURE: 4331200 -76.2901 105.914 -5.39253 105.913 357.187 171.461 -5.39319 171.461 -25.4081 GPRESSURE: 4331200 -2.48124 -1.8837 26.2543 -6.50695 323.745 146.318 -17.3594 180.336 15.494 PRESSAVG: 4331200 -43.37 -26.7556 2.7276 -26.7556 65.8306 58.4489 2.72758 58.4489 3.67926 GPRESSAVG: 4331200 -43.8739 -27.122 0.640721 -25.8162 66.1039 58.7002 6.54807 60.2102 4.22557 TIMING: 4331200 CPU: 13745.7, 0.00316295/step Wall: 13745.7, 0.00316295/step, 0.587605 hours remaining, 240.550781 MB of memory in use. ENERGY: 4331200 4081.5420 20528.1038 14502.4015 246.1189 -203390.9431 2686.4742 0.0000 0.0000 51940.9294 -109405.3734 298.5052 -161346.3027 -109053.7623 299.1354 85.1630 112.2527 760493.8131 8.7133 8.8185 PRESSURE: 4331400 -4.40828 -56.1588 -179.334 -56.1596 15.4171 -203.354 -179.334 -203.355 128.932 GPRESSURE: 4331400 56.6323 30.6128 -83.3052 18.7018 78.1695 -134.65 -119.341 -126.472 78.9887 PRESSAVG: 4331400 -66.2088 -82.9043 24.002 -82.9043 47.5042 0.0340798 24.002 0.0341359 -30.4137 GPRESSAVG: 4331400 -65.7215 -82.6106 25.2823 -86.1435 48.067 -0.739178 21.2071 -0.174085 -30.7224 TIMING: 4331400 CPU: 13746.3, 0.00317077/step Wall: 13746.3, 0.00317077/step, 0.588882 hours remaining, 240.550781 MB of memory in use. ENERGY: 4331400 4024.9832 20413.3682 14471.7713 249.1028 -203238.2126 2563.5539 0.0000 0.0000 52430.5971 -109084.8362 301.3194 -161515.4333 -108717.5785 299.6823 46.6470 71.2635 760947.6879 -16.3728 -16.1257 PRESSURE: 4331600 -73.123 -141.381 375.391 -141.381 75.0441 -58.5574 375.39 -58.5575 77.6973 GPRESSURE: 4331600 38.2409 -52.5809 316.412 -92.5684 69.5972 -51.3528 327.739 -28.6161 65.9147 PRESSAVG: 4331600 -51.6634 -93.8159 32.9594 -93.8159 57.0841 -23.2416 32.9594 -23.2415 -4.07523 GPRESSAVG: 4331600 -51.4879 -94.0165 31.3682 -91.4382 56.4552 -22.6547 34.0444 -25.0632 -2.80341 TIMING: 4331600 CPU: 13747, 0.00316636/step Wall: 13747, 0.00316636/step, 0.587887 hours remaining, 240.550781 MB of memory in use. ENERGY: 4331600 3994.3254 20511.1428 14503.0348 241.4592 -202769.3067 2266.1671 0.0000 0.0000 52292.5547 -108960.6228 300.5260 -161253.1774 -108594.4292 300.1534 26.5395 57.9176 762620.0401 0.4485 0.7213 PRESSURE: 4331800 162.307 -150.555 -21.7735 -150.556 82.8276 -9.32704 -21.7734 -9.3282 -327.416 GPRESSURE: 4331800 188.853 -193.34 -2.01714 -87.521 114.741 -64.6869 -24.2224 80.9987 -308.576 PRESSAVG: 4331800 -40.6745 -67.4549 20.7432 -67.4549 3.4267 -7.67658 20.7432 -7.67666 -1.44637 GPRESSAVG: 4331800 -40.9705 -68.5216 21.9327 -68.7145 4.53705 -7.45967 20.7943 -7.40632 -2.46757 TIMING: 4331800 CPU: 13747.6, 0.0031553/step Wall: 13747.6, 0.0031553/step, 0.58566 hours remaining, 240.550781 MB of memory in use. ENERGY: 4331800 4070.6641 20697.7282 14454.1936 232.4514 -202741.7123 2104.2596 0.0000 0.0000 52227.0422 -108955.3731 300.1495 -161182.4153 -108594.9962 300.9421 -27.4272 -1.6603 761563.1902 -12.8980 -12.9670 PRESSURE: 4332000 282.249 100.043 151.288 100.043 215.879 82.4446 151.288 82.4427 1.31697 GPRESSURE: 4332000 353.045 94.5965 129.83 107.825 227.843 125.891 109.979 106.448 11.255 PRESSAVG: 4332000 -4.31887 -55.2233 -0.421798 -55.2233 48.4811 30.9887 -0.421727 30.9887 1.76115 GPRESSAVG: 4332000 -4.3938 -55.3938 0.0199813 -53.7598 48.7448 30.236 -1.06504 34.858 1.91247 TIMING: 4332000 CPU: 13748.2, 0.00315825/step Wall: 13748.2, 0.00315825/step, 0.586032 hours remaining, 240.550781 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: 4332000 4020.9086 20505.4506 14434.6811 243.2739 -202915.9847 2441.5155 0.0000 0.0000 52334.3617 -108935.7933 300.7663 -161270.1550 -108563.9368 300.5149 166.4814 197.3812 761247.4065 15.3078 15.4212 PRESSURE: 4332200 -38.4339 -116.819 136.561 -116.819 -236.105 -190.334 136.561 -190.334 -126.853 GPRESSURE: 4332200 -19.3646 -92.9109 133.001 -0.520557 -150.644 -141.273 156.329 -271.032 -127.598 PRESSAVG: 4332200 6.87603 -8.12292 10.1548 -8.12295 -14.1605 16.0276 10.1548 16.0276 -8.96526 GPRESSAVG: 4332200 7.24808 -7.43998 11.0145 -7.53902 -14.3036 16.2561 7.80767 12.3701 -8.59285 TIMING: 4332200 CPU: 13748.8, 0.00315072/step Wall: 13748.8, 0.00315072/step, 0.584458 hours remaining, 240.550781 MB of memory in use. ENERGY: 4332200 3970.8032 20410.4730 14465.8311 265.1345 -203063.7225 2455.1128 0.0000 0.0000 52410.8203 -109085.5476 301.2057 -161496.3679 -108706.8367 300.6057 -133.7972 -99.2025 762409.4615 -5.4166 -5.2161 LDB: ============= START OF LOAD BALANCING ============== 13761.3 LDB: ============== END OF LOAD BALANCING =============== 13761.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13761.3 LDB: ============= START OF LOAD BALANCING ============== 13761.6 LDB: Largest compute 7059 load 0.036188 is 18.5% of average load 0.195491 LDB: Average compute 0.004392 is 2.2% of average load 0.195491 LDB: TIME 13761.6 LOAD: AVG 0.195491 MAX 0.214998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.738 MB LDB: TIME 13761.6 LOAD: AVG 0.195491 MAX 0.214998 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: TIME 13761.6 LOAD: AVG 0.195491 MAX 0.214998 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: ============== END OF LOAD BALANCING =============== 13761.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13761.6 PRESSURE: 4332400 256.264 -139.419 4.65814 -139.418 470.818 29.8193 4.65794 29.8192 164.591 GPRESSURE: 4332400 296.633 -212.894 62.4195 -2.63645 525.015 81.6492 47.9962 9.94227 149.25 PRESSAVG: 4332400 -42.8524 -22.1723 52.6863 -22.1723 -24.3644 22.295 52.6863 22.2949 1.87408 GPRESSAVG: 4332400 -43.3747 -21.2533 52.6308 -21.6824 -23.4587 23.2925 54.1225 22.0316 1.54375 TIMING: 4332400 CPU: 13749.5, 0.00323806/step Wall: 13749.5, 0.00323806/step, 0.60048 hours remaining, 240.535156 MB of memory in use. ENERGY: 4332400 4000.2858 20473.5864 14471.9905 247.1084 -202774.1290 2498.7814 0.0000 0.0000 52193.6023 -108888.7742 299.9574 -161082.3766 -108522.9407 299.9445 297.2244 323.6327 763961.4502 -21.7809 -21.7632 PRESSURE: 4332600 -361.065 -250.627 -28.7409 -250.627 267.394 -57.3348 -28.7415 -57.3346 -469.103 GPRESSURE: 4332600 -237.121 -155.853 -12.7773 -208.856 174.092 26.6083 18.2998 -45.5954 -431.672 PRESSAVG: 4332600 -28.9779 -58.2073 -56.0454 -58.2073 39.7668 3.8701 -56.0454 3.87022 -6.9264 GPRESSAVG: 4332600 -28.222 -57.6573 -57.214 -59.2914 38.3789 3.68074 -56.126 3.172 -6.14399 TIMING: 4332600 CPU: 13750.1, 0.00317492/step Wall: 13750.1, 0.00317492/step, 0.588595 hours remaining, 240.535156 MB of memory in use. ENERGY: 4332600 4022.7252 20654.5846 14367.8877 244.6517 -202489.3119 2244.1235 0.0000 0.0000 52065.9735 -108889.3657 299.2239 -160955.3392 -108533.1045 300.2345 -187.5910 -164.9003 764232.7415 1.2875 1.3376 PRESSURE: 4332800 44.761 -161.738 19.9306 -161.738 82.3825 -222.915 19.9305 -222.916 -16.6982 GPRESSURE: 4332800 60.5977 -135.588 -28.8974 -84.6244 120.736 -269.409 69.742 -219.871 4.19086 PRESSAVG: 4332800 -43.1235 -39.8415 -13.5555 -39.8415 21.4815 -5.71524 -13.5555 -5.71525 -32.2407 GPRESSAVG: 4332800 -42.5912 -37.8663 -13.9356 -41.0792 21.3233 -4.97895 -13.3419 -5.94034 -32.7781 TIMING: 4332800 CPU: 13750.8, 0.00317206/step Wall: 13750.8, 0.00317206/step, 0.587889 hours remaining, 240.535156 MB of memory in use. ENERGY: 4332800 3923.4856 20502.2734 14505.2846 247.3851 -202896.8881 2641.0819 0.0000 0.0000 52142.5197 -108934.8577 299.6638 -161077.3774 -108573.7634 300.6311 36.8151 61.8414 765082.1831 -17.9609 -18.0153 PRESSURE: 4333000 105.296 -41.0911 106.766 -41.0902 441.83 -293.33 106.766 -293.33 -94.6535 GPRESSURE: 4333000 142.85 -52.4569 74.8315 -175.081 522.717 -226.341 231.306 -332.822 -94.7485 PRESSAVG: 4333000 8.06543 -72.1531 -4.09735 -72.153 -15.0588 -12.5063 -4.09734 -12.5063 4.40072 GPRESSAVG: 4333000 6.26248 -74.6259 -3.83022 -72.193 -13.6855 -13.1656 -2.19417 -11.1174 5.47154 TIMING: 4333000 CPU: 13751.4, 0.00317342/step Wall: 13751.4, 0.00317342/step, 0.587964 hours remaining, 240.535156 MB of memory in use. ENERGY: 4333000 3907.3608 20388.5853 14540.0193 245.2996 -203104.7716 2754.9080 0.0000 0.0000 52164.6634 -109103.9353 299.7910 -161268.5986 -108737.0653 300.2440 150.8241 190.2729 762156.8041 -0.8642 -0.6505 PRESSURE: 4333200 64.1182 -147.794 186.611 -147.794 -21.9367 111.167 186.613 111.167 -38.6438 GPRESSURE: 4333200 134.895 -130.768 112.142 -21.7838 -78.4757 102.975 347.459 109.869 36.3238 PRESSAVG: 4333200 26.0652 -130.263 24.5848 -130.263 -24.6395 26.0855 24.5848 26.0855 -18.2198 GPRESSAVG: 4333200 26.0443 -132.472 24.7848 -130.097 -25.327 24.571 25.3605 26.2008 -18.1672 TIMING: 4333200 CPU: 13752, 0.00317212/step Wall: 13752, 0.00317212/step, 0.587548 hours remaining, 240.535156 MB of memory in use. ENERGY: 4333200 3913.0068 20475.1423 14553.1491 240.4430 -202894.7425 2450.9014 0.0000 0.0000 52044.5800 -109217.5199 299.1009 -161262.0999 -108854.3208 299.6576 1.1792 30.9143 761794.6422 -5.5980 -5.8166 PRESSURE: 4333400 91.0095 151.272 158.178 151.273 -20.3883 80.9869 158.177 80.9858 -107.223 GPRESSURE: 4333400 9.84277 32.7061 174.828 255.459 93.395 163.171 34.6049 -30.0449 -54.5308 PRESSAVG: 4333400 1.70493 0.0877625 7.80008 0.0877505 -14.704 15.4727 7.80013 15.4729 -3.96962 GPRESSAVG: 4333400 3.06044 2.78056 6.19579 -1.39922 -14.3703 16.3508 5.2316 15.8051 -5.20733 TIMING: 4333400 CPU: 13752.7, 0.00316592/step Wall: 13752.7, 0.00316592/step, 0.586224 hours remaining, 240.535156 MB of memory in use. ENERGY: 4333400 3974.2897 20585.5850 14483.2252 228.1783 -202925.0444 2434.0859 0.0000 0.0000 52027.8940 -109191.7863 299.0050 -161219.6803 -108833.6111 299.5662 -12.2007 16.2357 763133.3661 -5.6562 -5.5057 PRESSURE: 4333600 116.319 -108.09 201.816 -108.09 218.766 -82.6411 201.815 -82.6406 196.954 GPRESSURE: 4333600 222.59 -35.6681 118.555 -30.4003 222.722 -100.994 140.695 -2.98832 170.343 PRESSAVG: 4333600 29.2709 23.755 25.3834 23.755 8.00917 14.0956 25.3834 14.0957 6.21077 GPRESSAVG: 4333600 28.1085 21.2177 27.3034 26.8653 7.95581 15.4785 24.8181 12.5576 7.07908 TIMING: 4333600 CPU: 13753.3, 0.00316039/step Wall: 13753.3, 0.00316039/step, 0.585023 hours remaining, 240.535156 MB of memory in use. ENERGY: 4333600 3924.0260 20468.3053 14496.6264 229.7723 -203555.7976 2887.2902 0.0000 0.0000 52298.4083 -109251.3691 300.5597 -161549.7774 -108888.0754 299.3121 177.3462 205.2183 761987.3729 14.4970 14.3811 PRESSURE: 4333800 -401.542 -64.9592 18.05 -64.959 -49.4 -70.308 18.0501 -70.3084 -319.77 GPRESSURE: 4333800 -331.928 -102.748 139.721 -20.5469 -104.754 -30.2962 -67.3019 -200.166 -255.04 PRESSAVG: 4333800 -33.6453 12.9066 20.5543 12.9065 29.9578 21.8351 20.5544 21.8351 -3.53108 GPRESSAVG: 4333800 -33.082 15.7793 19.9806 10.0573 30.4857 22.7415 20.8865 23.1478 -4.043 TIMING: 4333800 CPU: 13753.9, 0.00315002/step Wall: 13753.9, 0.00315002/step, 0.582928 hours remaining, 240.535156 MB of memory in use. ENERGY: 4333800 4013.2924 20611.0602 14523.3193 252.1975 -203354.8680 2363.4980 0.0000 0.0000 52164.7394 -109426.7612 299.7915 -161591.5006 -109074.1630 299.6137 -256.9039 -230.5739 763481.8681 -2.4062 -2.2131 PRESSURE: 4334000 204.41 -17.6967 13.127 -17.6966 -12.2785 -17.9333 13.1259 -17.9331 495.403 GPRESSURE: 4334000 149.644 -56.4451 120.401 -77.1219 124.466 42.9523 -39.426 -43.9405 477.088 PRESSAVG: 4334000 -9.24996 22.0572 33.168 22.0572 -6.94608 -3.75733 33.1679 -3.7574 13.5918 GPRESSAVG: 4334000 -10.1455 22.0746 32.2755 22.4928 -6.59397 -4.3839 33.5539 -2.17955 13.9107 TIMING: 4334000 CPU: 13754.6, 0.00314025/step Wall: 13754.6, 0.00314025/step, 0.580946 hours remaining, 240.535156 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: 4334000 3958.1579 20604.3999 14492.0842 242.6465 -203465.7318 2692.3679 0.0000 0.0000 52030.8191 -109445.2563 299.0218 -161476.0754 -109079.3722 299.3239 229.1783 250.3992 762408.2677 -0.8681 -0.9429 PRESSURE: 4334200 -176.913 180.579 -261.412 180.579 54.0956 -133.65 -261.412 -133.65 -23.1323 GPRESSURE: 4334200 -97.114 84.645 -236.129 154.741 30.0652 -56.4004 -115.23 -124.921 -1.21884 PRESSAVG: 4334200 64.3397 11.7866 3.03575 11.7866 -20.3892 -42.5468 3.03583 -42.5468 -28.7283 GPRESSAVG: 4334200 64.5576 10.8255 3.62952 12.555 -21.6942 -43.4853 3.53686 -44.1062 -27.8618 TIMING: 4334200 CPU: 13755.2, 0.00317887/step Wall: 13755.2, 0.00317887/step, 0.587914 hours remaining, 240.535156 MB of memory in use. ENERGY: 4334200 3891.7673 20630.9269 14526.2620 239.5300 -203280.9007 2543.8740 0.0000 0.0000 52124.1664 -109324.3743 299.5583 -161448.5407 -108956.8236 299.7669 -48.6500 -22.7559 762042.0377 5.0740 5.0005 PRESSURE: 4334400 5.88262 -11.9761 51.4231 -11.9751 321.775 54.9916 51.4233 54.9918 -46.8728 GPRESSURE: 4334400 133.894 -41.7108 -53.2208 91.1123 281.248 -16.9808 -79.4463 -43.6175 -30.0014 PRESSAVG: 4334400 -19.4472 -40.6851 -1.91015 -40.6851 -16.788 25.6471 -1.91014 25.6471 6.69241 GPRESSAVG: 4334400 -19.0566 -40.693 -0.512345 -40.4875 -17.1639 25.3561 -3.10607 26.543 6.38185 TIMING: 4334400 CPU: 13755.8, 0.00316658/step Wall: 13755.8, 0.00316658/step, 0.585465 hours remaining, 240.535156 MB of memory in use. ENERGY: 4334400 3990.3401 20643.1860 14557.9420 251.1871 -203458.0534 2652.9214 0.0000 0.0000 52111.8556 -109250.6211 299.4876 -161362.4768 -108893.9421 299.6650 93.5948 128.3803 760966.4261 -9.8476 -9.9462 PRESSURE: 4334600 -209.641 72.6144 -158.882 72.6149 140.389 -123.476 -158.882 -123.478 56.6441 GPRESSURE: 4334600 -64.156 127.319 -100.144 19.6362 208.589 -105.644 -105.053 -8.17564 -66.7422 PRESSAVG: 4334600 16.6359 -14.8247 -13.3629 -14.8247 14.9508 23.1878 -13.3629 23.1878 -5.13907 GPRESSAVG: 4334600 17.4089 -15.2754 -15.1152 -14.4666 14.3156 26.1631 -12.6117 21.554 -5.20391 TIMING: 4334600 CPU: 13756.5, 0.00315926/step Wall: 13756.5, 0.00315926/step, 0.583937 hours remaining, 240.535156 MB of memory in use. ENERGY: 4334600 3934.2823 20619.6163 14446.4076 242.2235 -203543.5774 2679.4804 0.0000 0.0000 52238.7110 -109382.8563 300.2166 -161621.5673 -109014.2164 299.4701 -4.2026 25.8970 761350.6609 8.8159 8.8402 PRESSURE: 4334800 -146.987 -178.423 -39.3471 -178.424 -393.232 -97.7145 -39.3471 -97.7129 -4.62336 GPRESSURE: 4334800 -139.795 -225.79 -8.69463 -66.812 -325.249 -196.054 -50.73 -4.12295 -0.918099 PRESSAVG: 4334800 -24.6528 7.56052 -22.9211 7.56043 13.1021 -0.274853 -22.921 -0.274855 3.27257 GPRESSAVG: 4334800 -24.9595 8.80746 -22.0126 7.25891 13.8387 -0.954253 -20.9946 0.899404 2.8124 TIMING: 4334800 CPU: 13757.1, 0.00314384/step Wall: 13757.1, 0.00314384/step, 0.580912 hours remaining, 240.535156 MB of memory in use. ENERGY: 4334800 4035.7253 20639.3154 14501.8167 257.6096 -203156.8661 2376.7684 0.0000 0.0000 52120.5465 -109225.0841 299.5375 -161345.6306 -108868.6735 299.6014 -181.6141 -155.3209 761857.3271 -2.7594 -2.7695 PRESSURE: 4335000 -46.053 140.081 95.7891 140.082 -104.883 38.081 95.7893 38.0815 -308.728 GPRESSURE: 4335000 -60.192 26.0407 24.7411 98.7377 -80.5119 82.545 108.395 109.646 -212.727 PRESSAVG: 4335000 -21.0159 19.5927 20.2463 19.5926 40.5376 55.3582 20.2462 55.3583 -0.296219 GPRESSAVG: 4335000 -21.5986 18.1085 19.6894 17.6196 40.3034 53.8749 19.5793 54.5578 0.412992 TIMING: 4335000 CPU: 13757.7, 0.00316307/step Wall: 13757.7, 0.00316307/step, 0.58429 hours remaining, 240.535156 MB of memory in use. ENERGY: 4335000 3967.0276 20594.8580 14608.3840 231.8238 -203409.7010 2682.9671 0.0000 0.0000 51938.3584 -109386.2820 298.4905 -161324.6403 -109021.2602 300.0789 -153.2211 -117.8104 762439.1466 6.4085 6.3726 PRESSURE: 4335200 -37.7712 8.68658 -89.3632 8.68663 -122.772 53.8323 -89.363 53.8318 107.288 GPRESSURE: 4335200 15.4784 -18.0772 -122.79 51.7424 -104.545 76.4368 -141.481 -12.5781 112.123 PRESSAVG: 4335200 6.40026 -13.0471 -40.0119 -13.0471 -28.2878 -3.14583 -40.012 -3.14592 -6.79149 GPRESSAVG: 4335200 6.16861 -13.0513 -40.6189 -10.9874 -27.4242 -0.0698293 -41.2397 -3.72223 -7.47995 TIMING: 4335200 CPU: 13758.3, 0.00314887/step Wall: 13758.3, 0.00314887/step, 0.581491 hours remaining, 240.535156 MB of memory in use. ENERGY: 4335200 4011.5622 20567.2390 14508.8047 241.4949 -203250.9456 2361.2601 0.0000 0.0000 52382.3050 -109178.2797 301.0418 -161560.5847 -108811.1856 299.6579 -17.7516 7.6855 762305.8007 -9.5597 -9.5785 PRESSURE: 4335400 42.8813 -45.6352 -0.72525 -45.6338 -89.4058 156.293 -0.725202 156.292 330.889 GPRESSURE: 4335400 91.1001 -88.0806 -18.1836 -131.181 -28.9396 167.703 -44.2706 85.0813 307.503 PRESSAVG: 4335400 28.9981 -19.6135 -27.7249 -19.6135 19.2495 -4.03869 -27.725 -4.03874 9.03946 GPRESSAVG: 4335400 29.9122 -19.713 -27.8299 -20.7939 18.6789 -7.1575 -26.1599 -5.08569 8.1323 TIMING: 4335400 CPU: 13759, 0.00315748/step Wall: 13759, 0.00315748/step, 0.582905 hours remaining, 240.535156 MB of memory in use. ENERGY: 4335400 4011.0166 20648.7049 14492.8921 243.5333 -203436.5413 2630.4537 0.0000 0.0000 52238.9392 -109171.0016 300.2179 -161409.9408 -108803.9508 300.1510 94.7882 123.2212 761999.4097 19.0957 18.9078 PRESSURE: 4335600 107.661 52.4219 84.0457 52.4211 191.888 177.346 84.045 177.345 49.182 GPRESSURE: 4335600 151.737 59.73 -6.66441 136.049 234.053 173.411 84.3727 217.179 61.1306 PRESSAVG: 4335600 5.6988 -21.3973 9.12606 -21.3973 -31.2266 -15.2564 9.1261 -15.2565 -32.4088 GPRESSAVG: 4335600 5.12024 -21.9239 9.82692 -19.3677 -32.459 -14.5188 7.7195 -12.6099 -30.7505 TIMING: 4335600 CPU: 13759.6, 0.00315944/step Wall: 13759.6, 0.00315944/step, 0.583093 hours remaining, 240.535156 MB of memory in use. ENERGY: 4335600 4025.9314 20578.6770 14472.3638 230.4213 -203819.6862 2939.5752 0.0000 0.0000 52339.2023 -109233.5152 300.7941 -161572.7175 -108871.8476 299.9176 116.2435 148.9736 761754.2296 -19.3122 -19.3631 PRESSURE: 4335800 310.066 -18.0891 -136.172 -18.0887 -112.91 216.822 -136.171 216.821 -494.021 GPRESSURE: 4335800 319.635 84.1049 -153.047 48.6465 -38.5156 259.078 -58.2175 199.021 -474.796 PRESSAVG: 4335800 5.19129 -21.9687 14.4453 -21.9687 -0.842648 65.5432 14.4453 65.5432 -7.59635 GPRESSAVG: 4335800 5.03916 -23.355 13.8421 -21.0629 0.902128 65.0716 16.1123 63.4859 -9.01846 TIMING: 4335800 CPU: 13760.2, 0.00316913/step Wall: 13760.2, 0.00316913/step, 0.584705 hours remaining, 240.535156 MB of memory in use. ENERGY: 4335800 3951.0427 20652.8263 14481.8236 256.7016 -203938.9880 2944.5513 0.0000 0.0000 52090.6859 -109561.3566 299.3659 -161652.0425 -109207.9712 299.9831 -98.9547 -64.5590 760020.9007 -1.0826 -1.0257 PRESSURE: 4336000 125.411 22.5035 -208.959 22.5044 -102.217 -108.923 -208.959 -108.923 356.428 GPRESSURE: 4336000 75.5173 56.3388 -158.967 5.33203 -13.3626 -103.228 -132.393 -49.0691 365.481 PRESSAVG: 4336000 -4.8022 6.77827 -54.7364 6.77826 -51.6947 26.0406 -54.7364 26.0407 -13.6865 GPRESSAVG: 4336000 -5.57138 10.0805 -53.6418 4.46668 -52.7128 27.8291 -56.1714 26.6987 -12.6808 TIMING: 4336000 CPU: 13760.9, 0.00314347/step Wall: 13760.9, 0.00314347/step, 0.579796 hours remaining, 240.535156 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: 4336000 3957.1600 20558.4095 14518.9835 243.5229 -203580.8366 2591.8475 0.0000 0.0000 52042.9061 -109668.0072 299.0913 -161710.9133 -109317.9743 299.2603 126.5408 142.5452 760693.7420 -23.3944 -23.6550 PRESSURE: 4336200 124.671 25.0689 120.979 25.0688 149.148 211.429 120.979 211.43 101.457 GPRESSURE: 4336200 164.086 -43.6573 182.719 125.448 202.829 175.005 136.004 53.4873 95.9531 PRESSAVG: 4336200 -1.30171 -36.7348 7.00642 -36.7347 4.92968 -42.9746 7.00644 -42.9746 -0.28555 GPRESSAVG: 4336200 -0.796936 -37.7822 6.34505 -35.7222 5.16251 -42.7484 8.99927 -42.2504 -0.582107 TIMING: 4336200 CPU: 13761.5, 0.00315307/step Wall: 13761.5, 0.00315306/step, 0.58139 hours remaining, 240.535156 MB of memory in use. ENERGY: 4336200 3995.2365 20467.1988 14512.4240 241.4263 -203640.5089 2846.8743 0.0000 0.0000 52109.6560 -109467.6931 299.4749 -161577.3491 -109113.1247 298.8600 125.0918 154.2892 760493.6345 1.1141 1.2612 LDB: ============= START OF LOAD BALANCING ============== 13774 LDB: ============== END OF LOAD BALANCING =============== 13774 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13774 LDB: ============= START OF LOAD BALANCING ============== 13774.3 LDB: Largest compute 7033 load 0.033393 is 17.1% of average load 0.195522 LDB: Average compute 0.004393 is 2.2% of average load 0.195522 LDB: TIME 13774.3 LOAD: AVG 0.195522 MAX 0.215734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.406 MB LDB: TIME 13774.3 LOAD: AVG 0.195522 MAX 0.215734 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: TIME 13774.3 LOAD: AVG 0.195522 MAX 0.215734 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.406 MB LDB: ============== END OF LOAD BALANCING =============== 13774.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13774.3 PRESSURE: 4336400 21.8544 10.551 -42.4777 10.5512 -244.631 343.699 -42.4789 343.698 -260.664 GPRESSURE: 4336400 33.8181 7.95119 -69.275 75.5278 -177.967 431.248 -36.5169 230.921 -244.582 PRESSAVG: 4336400 -0.718916 -49.0611 16.2972 -49.0611 -40.0178 -17.3376 16.2972 -17.3376 -13.8184 GPRESSAVG: 4336400 -0.0294155 -49.0315 16.77 -48.7855 -40.0475 -17.7605 15.6911 -19.0657 -13.8596 TIMING: 4336400 CPU: 13762.2, 0.00324899/step Wall: 13762.2, 0.00324899/step, 0.598896 hours remaining, 240.667969 MB of memory in use. ENERGY: 4336400 4000.6853 20613.4814 14427.9243 256.4843 -203313.1474 2476.7722 0.0000 0.0000 52117.1128 -109420.6871 299.5178 -161537.7999 -109065.0010 299.6501 -161.1467 -129.5768 761398.0959 -18.1850 -17.9789 PRESSURE: 4336600 -213.297 -197.211 -131.169 -197.211 -295.91 185.488 -131.17 185.488 -219.144 GPRESSURE: 4336600 -69.432 -176.485 -148.097 -118.08 -384.089 195.376 -19.3822 191.181 -189.963 PRESSAVG: 4336600 -9.18507 -52.6337 32.4609 -52.6336 -1.69497 17.2644 32.4609 17.2644 -28.8758 GPRESSAVG: 4336600 -8.55129 -53.0646 31.3386 -51.1918 -3.13276 15.7553 33.0212 19.8519 -28.6284 TIMING: 4336600 CPU: 13762.8, 0.00318714/step Wall: 13762.8, 0.00318714/step, 0.587319 hours remaining, 240.871094 MB of memory in use. ENERGY: 4336600 4028.0093 20349.1465 14446.8074 239.1706 -203517.1174 2582.4854 0.0000 0.0000 52067.0112 -109804.4870 299.2298 -161871.4982 -109431.4772 298.9965 -242.7834 -214.4947 763265.3782 -13.2519 -13.4375 PRESSURE: 4336800 -119.736 100.135 67.0136 100.134 254.665 -90.0538 67.0135 -90.0541 -192.905 GPRESSURE: 4336800 -58.7623 80.8976 94.4763 -66.6504 226.64 -84.7259 53.9679 33.9148 -118.053 PRESSAVG: 4336800 -65.0616 -55.5856 7.91049 -55.5856 52.3084 22.4457 7.9105 22.4456 -10.6965 GPRESSAVG: 4336800 -65.0964 -53.9487 8.48205 -57.9685 53.7499 23.4954 4.9057 21.057 -11.4452 TIMING: 4336800 CPU: 13763.4, 0.00317982/step Wall: 13763.4, 0.00317982/step, 0.585794 hours remaining, 240.871094 MB of memory in use. ENERGY: 4336800 3980.0120 20437.1803 14493.8195 236.4662 -203602.4471 2665.2125 0.0000 0.0000 52037.0292 -109752.7274 299.0575 -161789.7566 -109382.5165 298.5236 -19.3251 16.6080 762014.2773 -7.8166 -7.5972 PRESSURE: 4337000 -287.216 49.3745 71.4978 49.3738 -90.6623 190.909 71.498 190.908 -18.2705 GPRESSURE: 4337000 -254.316 116.2 44.1514 -7.53295 -4.7493 175.535 50.5032 112.257 -61.6997 PRESSAVG: 4337000 -35.5322 -33.3977 29.673 -33.3977 27.2205 -28.9082 29.673 -28.9083 -1.07991 GPRESSAVG: 4337000 -36.0362 -32.7716 30.6455 -35.5081 27.0198 -28.5381 30.7404 -29.2232 -0.884881 TIMING: 4337000 CPU: 13764.1, 0.00317313/step Wall: 13764.1, 0.00317313/step, 0.584384 hours remaining, 240.871094 MB of memory in use. ENERGY: 4337000 4037.7248 20510.6510 14470.9098 241.5735 -203720.2209 2590.7968 0.0000 0.0000 52024.6183 -109843.9467 298.9862 -161868.5650 -109478.0079 298.9248 -132.0495 -106.9217 761460.3738 -3.1305 -3.3004 PRESSURE: 4337200 -50.7888 82.6828 39.8334 82.6823 -50.5429 -120.28 39.8325 -120.281 -68.9971 GPRESSURE: 4337200 16.3871 100.076 32.175 138.569 -0.603735 -52.6561 48.5948 -172.833 -104.242 PRESSAVG: 4337200 24.0045 29.4196 -88.5403 29.4195 -26.8548 -14.3211 -88.5403 -14.321 -8.42184 GPRESSAVG: 4337200 24.17 30.469 -88.5064 32.0906 -27.145 -14.0374 -89.1537 -14.7014 -8.33114 TIMING: 4337200 CPU: 13764.7, 0.00317339/step Wall: 13764.7, 0.00317339/step, 0.584256 hours remaining, 240.871094 MB of memory in use. ENERGY: 4337200 3969.1066 20496.4763 14451.8126 245.1774 -203605.4551 2523.1765 0.0000 0.0000 51799.7083 -110119.9974 297.6936 -161919.7057 -109753.4810 298.2795 -56.7763 -29.4861 760993.9053 -3.7574 -3.7687 PRESSURE: 4337400 -470.71 158.369 -161.749 158.37 136.989 -63.6113 -161.749 -63.6115 92.2753 GPRESSURE: 4337400 -388.668 35.9265 -110.41 128.481 79.5505 -55.4697 -53.3673 -187.973 126.777 PRESSAVG: 4337400 -65.0566 14.4708 -40.3049 14.4708 56.6178 -23.309 -40.305 -23.309 -7.08022 GPRESSAVG: 4337400 -66.2424 11.6362 -40.6492 14.4124 56.6584 -23.5559 -39.0931 -23.1055 -6.19256 TIMING: 4337400 CPU: 13765.3, 0.00314695/step Wall: 13765.3, 0.00314695/step, 0.579213 hours remaining, 240.871094 MB of memory in use. ENERGY: 4337400 3935.9322 20506.9291 14454.8513 264.2179 -203943.3159 2612.2890 0.0000 0.0000 52100.8181 -110068.2783 299.4241 -162169.0965 -109697.7235 298.0393 -80.4820 -60.7803 762692.5809 -5.1730 -5.2589 PRESSURE: 4337600 -128.121 44.5714 -97.6637 44.5719 257.29 96.7566 -97.664 96.7563 -201.185 GPRESSURE: 4337600 -50.4293 -53.9675 -80.6047 108.683 283.083 50.7843 -74.9656 118.875 -231.756 PRESSAVG: 4337600 -22.9274 -17.0332 -56.7011 -17.0331 2.82667 1.3609 -56.7011 1.36091 -13.41 GPRESSAVG: 4337600 -21.5979 -17.1906 -57.0825 -17.8281 1.86061 2.1207 -56.7579 -1.20647 -13.9041 TIMING: 4337600 CPU: 13766, 0.00315794/step Wall: 13766, 0.00315794/step, 0.58106 hours remaining, 240.871094 MB of memory in use. ENERGY: 4337600 4056.5038 20532.2429 14518.6094 244.5486 -203838.6004 2705.5964 0.0000 0.0000 51947.8058 -109833.2935 298.5448 -161781.0993 -109477.5581 298.4985 -24.0050 0.2992 761440.3609 -11.1702 -11.2138 PRESSURE: 4337800 270.158 -40.4787 -1.93108 -40.4788 37.9223 -189.75 -1.93204 -189.752 -144.792 GPRESSURE: 4337800 354.865 -4.9493 42.069 -90.345 -25.1863 -179.154 49.2305 -56.9293 -104.518 PRESSAVG: 4337800 -30.4044 -2.60801 -10.8301 -2.60804 0.565637 -20.7742 -10.83 -20.7742 -3.5432 GPRESSAVG: 4337800 -32.1835 -3.87123 -11.4513 -1.86142 1.33182 -21.5628 -9.30579 -18.6822 -2.42847 TIMING: 4337800 CPU: 13766.6, 0.00314507/step Wall: 13766.6, 0.00314507/step, 0.578518 hours remaining, 240.871094 MB of memory in use. ENERGY: 4337800 3941.2612 20623.2957 14464.1130 270.9553 -203745.7907 2602.9678 0.0000 0.0000 51955.2542 -109887.9434 298.5876 -161843.1977 -109522.2855 298.9596 54.4297 75.0535 760037.8240 -11.1273 -11.0934 PRESSURE: 4338000 -17.1445 76.4964 304.924 76.4972 -45.9218 15.023 304.923 15.0231 201.701 GPRESSURE: 4338000 -18.7989 95.0328 284.153 -55.9844 40.0667 78.9528 125.711 66.2935 210.913 PRESSAVG: 4338000 4.6391 -73.0532 3.79221 -73.0532 -20.8848 -38.0865 3.79222 -38.0865 8.8728 GPRESSAVG: 4338000 7.00255 -71.0959 6.7332 -73.3288 -21.6998 -36.4578 0.940168 -36.9335 7.69539 TIMING: 4338000 CPU: 13767.2, 0.0031801/step Wall: 13767.2, 0.0031801/step, 0.584784 hours remaining, 240.871094 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: 4338000 4007.4453 20533.3752 14463.1236 250.3624 -203774.7521 2654.1292 0.0000 0.0000 51905.9636 -109960.3528 298.3043 -161866.3164 -109598.0749 298.5675 46.2116 77.3936 761143.2698 -2.4576 -2.3340 PRESSURE: 4338200 -40.2228 -12.949 210.858 -12.949 -468.275 8.88778 210.857 8.88623 35.0803 GPRESSURE: 4338200 -27.2337 -10.7235 275.195 39.7088 -389.234 48.852 306.575 74.4827 37.1818 PRESSAVG: 4338200 11.0751 -14.3346 7.25649 -14.3346 17.8527 -50.567 7.25659 -50.5671 -25.1056 GPRESSAVG: 4338200 10.2121 -16.2958 5.26863 -16.6969 18.6259 -51.1155 6.40787 -52.3811 -24.2269 TIMING: 4338200 CPU: 13767.9, 0.00315826/step Wall: 13767.9, 0.00315826/step, 0.580593 hours remaining, 240.871094 MB of memory in use. ENERGY: 4338200 3957.7873 20580.4385 14413.7242 261.1719 -203367.7816 2230.2796 0.0000 0.0000 51939.9696 -109984.4106 298.4997 -161924.3802 -109634.2278 298.1490 -157.8057 -126.4286 762349.8995 1.2741 1.5370 PRESSURE: 4338400 201.546 -186.525 -235.154 -186.525 -24.9214 55.3179 -235.155 55.3171 21.0342 GPRESSURE: 4338400 125.501 -229.442 -235.766 -192.122 88.7422 64.052 -177.629 -27.866 51.7538 PRESSAVG: 4338400 -79.7006 -32.3434 -2.88183 -32.3434 55.0408 -62.5355 -2.88179 -62.5357 14.9856 GPRESSAVG: 4338400 -79.5003 -30.8938 -3.0035 -29.5797 55.7161 -62.6546 -0.160849 -60.7625 14.3113 TIMING: 4338400 CPU: 13768.5, 0.00317072/step Wall: 13768.5, 0.00317072/step, 0.582708 hours remaining, 240.871094 MB of memory in use. ENERGY: 4338400 3917.3941 20473.2399 14488.9554 259.7989 -203465.3299 2490.8219 0.0000 0.0000 51899.4867 -109935.6331 298.2671 -161835.1197 -109567.0607 298.2350 65.8862 88.6656 762204.0648 -3.2247 -3.1576 PRESSURE: 4338600 -177.635 -33.5051 32.8595 -33.5054 -414.987 -244.993 32.8586 -244.994 -21.0526 GPRESSURE: 4338600 -88.8804 -70.0006 65.4612 -160.809 -373.298 -215.997 163.405 -283.106 -73.2708 PRESSAVG: 4338600 -15.6878 -6.39443 39.3346 -6.39442 -6.51776 -0.237297 39.3347 -0.237391 -13.4939 GPRESSAVG: 4338600 -16.8418 -9.00966 41.8185 -6.68169 -5.32844 0.305364 40.0376 -1.91217 -14.1115 TIMING: 4338600 CPU: 13769.1, 0.00318822/step Wall: 13769.1, 0.00318822/step, 0.585746 hours remaining, 240.871094 MB of memory in use. ENERGY: 4338600 4017.5968 20518.5439 14459.5600 262.4523 -203486.8614 2401.9116 0.0000 0.0000 51795.0139 -110031.7830 297.6667 -161826.7969 -109669.6516 297.9900 -204.5580 -178.4831 761008.2676 -11.8998 -12.0939 PRESSURE: 4338800 -356.568 -42.5005 155.448 -42.4997 -422.899 74.1518 155.449 74.1526 135.996 GPRESSURE: 4338800 -321.338 -95.6784 94.8356 -66.4085 -351.176 104.917 114.88 -13.6292 117.496 PRESSAVG: 4338800 -2.00158 -77.074 0.840413 -77.074 34.4945 -42.853 0.840434 -42.8529 -0.851296 GPRESSAVG: 4338800 -1.45657 -75.4742 -1.07196 -79.5912 33.8091 -43.8998 -1.20917 -42.5122 -0.500923 TIMING: 4338800 CPU: 13769.8, 0.00315534/step Wall: 13769.8, 0.00315534/step, 0.579531 hours remaining, 240.871094 MB of memory in use. ENERGY: 4338800 4010.9237 20611.1451 14460.1299 243.4970 -203240.0917 2275.2312 0.0000 0.0000 51680.4719 -109958.6928 297.0084 -161639.1647 -109604.4047 298.3068 -214.4905 -185.0060 761564.2635 10.5472 10.6172 PRESSURE: 4339000 -301.454 -142.505 -148.861 -142.506 -185.192 17.9219 -148.861 17.9212 -211.73 GPRESSURE: 4339000 -238.585 -114.354 -151.261 -58.6857 -150.497 -23.485 -202.694 112.583 -204.981 PRESSAVG: 4339000 -4.89088 -23.8811 47.2809 -23.8811 -29.1782 -67.2087 47.2808 -67.2088 2.38371 GPRESSAVG: 4339000 -4.70231 -22.3031 46.9933 -23.0339 -29.2637 -68.2329 46.3389 -65.1427 2.88627 TIMING: 4339000 CPU: 13770.4, 0.00315923/step Wall: 13770.4, 0.00315923/step, 0.58007 hours remaining, 240.871094 MB of memory in use. ENERGY: 4339000 4039.0883 20638.5122 14374.6366 250.4450 -203892.6940 2849.5746 0.0000 0.0000 51926.4111 -109814.0262 298.4218 -161740.4372 -109458.5026 298.5385 -232.7920 -198.0210 761693.4675 -10.5618 -10.3599 PRESSURE: 4339200 40.0603 -136.748 61.1626 -136.748 25.9065 -200.443 61.1625 -200.444 -29.5234 GPRESSURE: 4339200 98.1716 -88.9172 72.5752 -45.657 79.2675 -171.958 176.347 -274.347 -36.0576 PRESSAVG: 4339200 -2.25924 3.98748 5.62859 3.98745 -3.51865 -45.3988 5.62861 -45.3987 10.8015 GPRESSAVG: 4339200 -1.85987 3.95558 6.18148 4.2354 -4.87626 -44.7564 5.46542 -45.9604 11.6181 TIMING: 4339200 CPU: 13771, 0.00317646/step Wall: 13771, 0.00317646/step, 0.583057 hours remaining, 240.871094 MB of memory in use. ENERGY: 4339200 3978.1502 20620.0944 14401.2699 253.0577 -203562.2959 2593.6349 0.0000 0.0000 52088.0493 -109628.0395 299.3507 -161716.0888 -109265.2676 298.4773 12.1478 47.1272 762046.6028 1.6745 1.6273 PRESSURE: 4339400 -12.497 -73.0142 -208.074 -73.0141 -2.16219 3.23862 -208.075 3.23764 -328.739 GPRESSURE: 4339400 -38.6655 -21.2586 -311.584 -147.106 -23.4938 63.1465 -224.28 10.573 -192.091 PRESSAVG: 4339400 13.8806 -37.4796 -36.7955 -37.4795 11.9193 -10.0011 -36.7955 -10.0012 -1.66302 GPRESSAVG: 4339400 12.8562 -38.8093 -37.9493 -37.4554 12.6171 -10.4829 -34.8515 -9.92172 -1.41461 TIMING: 4339400 CPU: 13771.7, 0.00314885/step Wall: 13771.7, 0.00314885/step, 0.577815 hours remaining, 240.871094 MB of memory in use. ENERGY: 4339400 4017.5384 20726.1740 14499.2250 236.3755 -203222.4908 2390.0713 0.0000 0.0000 51960.7059 -109392.4006 298.6189 -161353.1066 -109027.5944 299.5024 -114.4659 -84.7503 762406.1682 8.0457 8.0196 PRESSURE: 4339600 -52.1819 13.1943 0.603892 13.1937 -116.094 247.767 0.605709 247.766 -292.268 GPRESSURE: 4339600 -43.2887 11.474 -10.941 -2.50192 -132.648 184.248 -23.2547 139.753 -197.88 PRESSAVG: 4339600 25.3946 -32.9498 9.52207 -32.9498 -24.2017 46.1662 9.5221 46.1662 10.3762 GPRESSAVG: 4339600 27.5687 -33.7279 10.4473 -33.0001 -24.5817 45.1017 6.85967 43.8249 8.83945 TIMING: 4339600 CPU: 13772.3, 0.00315806/step Wall: 13772.3, 0.00315806/step, 0.579329 hours remaining, 240.871094 MB of memory in use. ENERGY: 4339600 3943.1583 20696.3931 14374.8528 247.2413 -203051.0483 2293.3646 0.0000 0.0000 52165.0485 -109330.9897 299.7933 -161496.0382 -108969.9837 299.7661 -153.5147 -124.6055 761430.2085 3.8564 3.9421 PRESSURE: 4339800 -271.618 25.6209 -60.9236 25.6199 -137.544 -139.718 -60.9232 -139.718 -409.506 GPRESSURE: 4339800 -147.972 -48.5493 -89.2843 98.4274 -136.909 -181.747 -107.743 53.5554 -462.52 PRESSAVG: 4339800 20.7318 -14.2158 20.3333 -14.2158 -10.5984 9.92422 20.3333 9.92432 3.62241 GPRESSAVG: 4339800 19.8507 -12.4705 19.9752 -15.87 -10.9684 11.1698 21.389 11.3926 4.79624 TIMING: 4339800 CPU: 13772.9, 0.00314856/step Wall: 13772.9, 0.00314856/step, 0.57741 hours remaining, 240.871094 MB of memory in use. ENERGY: 4339800 3948.5583 20614.7335 14475.9687 240.5724 -203309.2073 2521.0624 0.0000 0.0000 51981.2301 -109527.0819 298.7368 -161508.3120 -109174.3374 299.8426 -272.8892 -249.1337 761848.7948 4.5853 4.5595 PRESSURE: 4340000 -452.564 2.96179 187.813 2.96172 -25.4171 -197.426 187.812 -197.426 -243.605 GPRESSURE: 4340000 -325.204 124.3 149.156 51.1279 -64.2122 -113.656 225.449 -150.073 -234.747 PRESSAVG: 4340000 17.7186 -24.0833 39.0845 -24.0833 -16.0243 24.8265 39.0844 24.8265 12.6425 GPRESSAVG: 4340000 18.1093 -25.2698 41.6957 -20.6534 -15.9135 25.8617 37.4856 25.913 12.2043 TIMING: 4340000 CPU: 13773.5, 0.00314491/step Wall: 13773.5, 0.00314491/step, 0.576567 hours remaining, 240.871094 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: 4340000 4045.3910 20525.3769 14468.2730 250.5362 -202677.6128 2216.9807 0.0000 0.0000 51872.9292 -109298.1258 298.1144 -161171.0550 -108949.8783 299.3648 -240.5287 -208.0543 761974.2696 4.7789 4.8000 PRESSURE: 4340200 168.642 -124.055 19.8811 -124.055 175.123 -101.498 19.8809 -101.498 91.5523 GPRESSURE: 4340200 148.951 -71.9424 16.8615 -148.147 179.906 -138.18 -46.8815 -147.729 190.355 PRESSAVG: 4340200 19.2182 -16.2899 -32.3471 -16.2899 24.1017 3.12403 -32.3471 3.12395 14.2678 GPRESSAVG: 4340200 18.0998 -13.5279 -35.3781 -19.0596 24.756 2.7823 -31.3743 4.22381 13.7444 TIMING: 4340200 CPU: 13774.2, 0.00314845/step Wall: 13774.2, 0.00314845/step, 0.577041 hours remaining, 240.871094 MB of memory in use. ENERGY: 4340200 4062.1124 20441.4234 14410.5492 239.0343 -203244.9005 2449.7486 0.0000 0.0000 52112.7546 -109529.2780 299.4927 -161642.0326 -109174.8818 299.5728 145.1055 173.0707 761407.9106 19.1959 18.8667 LDB: ============= START OF LOAD BALANCING ============== 13786.6 LDB: ============== END OF LOAD BALANCING =============== 13786.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13786.6 LDB: ============= START OF LOAD BALANCING ============== 13786.9 LDB: Largest compute 7031 load 0.034039 is 17.4% of average load 0.195383 LDB: Average compute 0.004383 is 2.2% of average load 0.195383 LDB: TIME 13786.9 LOAD: AVG 0.195383 MAX 0.215596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 13786.9 LOAD: AVG 0.195383 MAX 0.215596 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 13786.9 LOAD: AVG 0.195383 MAX 0.215596 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 13786.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13787 PRESSURE: 4340400 -49.0637 -70.1962 -108.195 -70.1955 -105.064 -16.668 -108.194 -16.6671 -157.346 GPRESSURE: 4340400 -30.8945 -126.819 -157.853 -17.2789 -44.808 -32.5749 -96.8059 -14.9481 -149.829 PRESSAVG: 4340400 -59.6698 -16.8373 -34.1944 -16.8373 57.2489 12.4376 -34.1944 12.4376 22.1278 GPRESSAVG: 4340400 -59.9028 -18.2026 -33.683 -16.1876 57.3623 12.0256 -34.6864 10.9245 22.1065 TIMING: 4340400 CPU: 13774.8, 0.00319772/step Wall: 13774.8, 0.00319772/step, 0.585893 hours remaining, 240.347656 MB of memory in use. ENERGY: 4340400 3967.7810 20525.7414 14416.2657 290.1843 -203141.8352 2385.0048 0.0000 0.0000 51910.8690 -109645.9891 298.3325 -161556.8580 -109294.5180 299.3023 -103.8244 -75.1771 761249.5922 6.5690 6.5220 PRESSURE: 4340600 -4.97586 102.241 17.1738 102.242 343.921 -111.408 17.1735 -111.407 416.21 GPRESSURE: 4340600 6.52662 88.4941 7.52333 105.726 341.02 -140.149 8.52756 -32.5815 480.308 PRESSAVG: 4340600 8.6568 -37.7095 -18.3888 -37.7095 -0.207739 -20.5285 -18.3888 -20.5284 24.0016 GPRESSAVG: 4340600 8.85567 -38.5053 -17.9837 -38.8875 -1.26158 -20.7932 -16.7346 -20.9077 24.2442 TIMING: 4340600 CPU: 13775.4, 0.00312654/step Wall: 13775.4, 0.00312654/step, 0.572679 hours remaining, 240.550781 MB of memory in use. ENERGY: 4340600 4056.4213 20478.3815 14447.5298 258.8208 -203549.4158 2699.0760 0.0000 0.0000 52043.8575 -109565.3289 299.0968 -161609.1864 -109202.6426 299.3078 251.7185 275.9514 760085.0233 10.8169 10.6128 PRESSURE: 4340800 -302.687 -105.25 65.8181 -105.25 71.1883 60.1022 65.8185 60.1032 208.519 GPRESSURE: 4340800 -272.801 -50.8867 73.8004 43.8369 116.004 73.8101 -37.4153 146.667 208.695 PRESSAVG: 4340800 -72.4039 36.2516 51.617 36.2516 74.6588 22.6944 51.617 22.6944 -16.5003 GPRESSAVG: 4340800 -72.8647 36.6869 52.7996 37.7408 74.2486 23.7215 50.9363 22.8 -15.6566 TIMING: 4340800 CPU: 13776.1, 0.00313839/step Wall: 13776.1, 0.00313839/step, 0.574675 hours remaining, 240.550781 MB of memory in use. ENERGY: 4340800 4056.4375 20384.4451 14456.2146 260.1559 -203112.4823 2273.4237 0.0000 0.0000 52090.3641 -109591.4415 299.3640 -161681.8056 -109232.9917 298.9732 -7.6600 17.2995 758312.3135 -4.7485 -4.7575 PRESSURE: 4341000 -236.767 126.84 -211.824 126.839 -135.391 282.232 -211.824 282.23 -52.4211 GPRESSURE: 4341000 -252.147 87.0998 -203.823 66.1042 -77.4327 284.947 -274.004 251.514 -31.6818 PRESSAVG: 4341000 -0.291251 -23.8907 -29.9199 -23.8908 -3.7871 14.927 -29.92 14.927 -17.9078 GPRESSAVG: 4341000 -0.111682 -21.4064 -32.1727 -24.6137 -2.62297 13.9371 -31.4537 16.1105 -19.0166 TIMING: 4341000 CPU: 13776.7, 0.00315627/step Wall: 13776.7, 0.00315627/step, 0.577773 hours remaining, 240.550781 MB of memory in use. ENERGY: 4341000 3996.0325 20539.2764 14447.0136 259.3633 -203379.2250 2332.5126 0.0000 0.0000 52180.4448 -109624.5817 299.8817 -161805.0265 -109265.4541 299.3704 -141.5265 -120.4206 759808.7341 -7.3287 -7.2504 PRESSURE: 4341200 150.235 -87.6804 -226.183 -87.6808 240.625 137.082 -226.183 137.082 -3.29366 GPRESSURE: 4341200 197.171 -69.6579 -252.868 -37.1074 251.129 165.558 -94.8925 -46.1773 30.7288 PRESSAVG: 4341200 23.001 -11.6827 -31.9855 -11.6827 -44.0068 9.89281 -31.9854 9.89278 -13.4165 GPRESSAVG: 4341200 23.7602 -12.5476 -31.1914 -9.9968 -43.8872 9.78949 -31.3076 8.62498 -13.8832 TIMING: 4341200 CPU: 13777.3, 0.00314334/step Wall: 13777.3, 0.00314334/step, 0.575231 hours remaining, 240.550781 MB of memory in use. ENERGY: 4341200 4073.4231 20573.6729 14394.8488 260.0785 -203203.7126 2365.3779 0.0000 0.0000 52024.8108 -109511.5007 298.9873 -161536.3115 -109152.9660 299.2520 129.1891 159.6763 758774.2599 -11.4741 -11.3367 PRESSURE: 4341400 130.114 -95.9931 261.212 -95.9933 -141.738 76.9645 261.213 76.9642 -236.095 GPRESSURE: 4341400 124.541 -51.1844 253.414 -12.8417 -124.996 42.5287 185.218 135.722 -173.023 PRESSAVG: 4341400 14.0891 -5.85035 -47.2767 -5.85039 0.076792 -3.75925 -47.2767 -3.75925 -15.7655 GPRESSAVG: 4341400 14.6554 -8.3724 -48.2592 -5.78159 -1.16182 -4.75898 -45.9434 -3.59414 -15.152 TIMING: 4341400 CPU: 13778, 0.00316123/step Wall: 13778, 0.00316123/step, 0.578329 hours remaining, 240.550781 MB of memory in use. ENERGY: 4341400 3978.3524 20716.8070 14352.9291 238.3356 -203293.3329 2502.7299 0.0000 0.0000 51918.9351 -109585.2440 298.3788 -161504.1790 -109237.3238 299.2224 -82.5733 -57.8261 760337.3804 -0.5332 -0.5528 PRESSURE: 4341600 -41.8779 132.967 -37.2974 132.967 -276.109 -42.0203 -37.2972 -42.0203 369.716 GPRESSURE: 4341600 38.8283 56.2122 -62.8353 59.0847 -216.901 -43.7803 -29.2817 -66.8413 325.134 PRESSAVG: 4341600 27.5776 33.8175 16.0619 33.8175 -0.430352 13.2073 16.0618 13.2074 3.82206 GPRESSAVG: 4341600 27.2599 33.726 15.8862 32.8555 0.203996 14.264 16.1068 13.4972 3.74572 TIMING: 4341600 CPU: 13778.6, 0.00315429/step Wall: 13778.6, 0.00315429/step, 0.576884 hours remaining, 240.550781 MB of memory in use. ENERGY: 4341600 3986.7541 20478.5155 14439.2703 256.4565 -203279.3706 2337.1211 0.0000 0.0000 52292.0660 -109489.1872 300.5232 -161781.2532 -109126.6040 299.6293 17.2431 49.0203 759622.7939 10.3231 10.4032 PRESSURE: 4341800 -104.538 -231.548 -44.7516 -231.548 -111.447 -110.494 -44.7504 -110.493 -217.634 GPRESSURE: 4341800 -77.9402 -85.0271 8.98213 -226.13 -44.9559 -167.256 -75.825 -66.8219 -226.516 PRESSAVG: 4341800 -35.7673 -26.7534 -39.875 -26.7534 11.6167 1.02891 -39.875 1.02891 -5.68635 GPRESSAVG: 4341800 -36.2506 -25.4066 -39.4543 -27.6768 12.6894 0.967354 -39.7933 -0.253321 -5.97899 TIMING: 4341800 CPU: 13779.2, 0.00318011/step Wall: 13779.2, 0.00318011/step, 0.581431 hours remaining, 240.550781 MB of memory in use. ENERGY: 4341800 4030.9889 20347.7667 14425.4261 264.7506 -203497.9923 2702.0954 0.0000 0.0000 52010.7771 -109716.1875 298.9067 -161726.9646 -109344.3214 299.4779 -144.5395 -116.4707 760830.3940 -9.9456 -9.8467 PRESSURE: 4342000 -41.973 -118.19 -55.7285 -118.19 -55.3895 -188.939 -55.7288 -188.939 178.643 GPRESSURE: 4342000 -12.0929 -86.6858 -101.82 -137.777 -18.4444 -208.631 -36.8671 -31.8123 198.628 PRESSAVG: 4342000 -29.7601 -22.8234 -33.3842 -22.8235 50.4527 62.2065 -33.3841 62.2065 3.9115 GPRESSAVG: 4342000 -29.0615 -23.7871 -34.2842 -20.9515 49.3954 61.7802 -34.6162 63.9406 3.95884 TIMING: 4342000 CPU: 13779.9, 0.00317297/step Wall: 13779.9, 0.00317297/step, 0.579948 hours remaining, 240.550781 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: 4342000 4052.3599 20574.7797 14371.6538 246.4278 -203019.9913 2382.4647 0.0000 0.0000 51752.4768 -109639.8287 297.4222 -161392.3055 -109287.3558 299.2945 27.0935 56.0301 760676.9021 8.2014 8.0976 PRESSURE: 4342200 -103.198 315.295 -236.12 315.295 -46.0681 107.576 -236.121 107.577 -300.393 GPRESSURE: 4342200 -33.3464 247.929 -232.807 308.804 -4.83928 68.1756 -158.653 65.5233 -323.947 PRESSAVG: 4342200 -66.3587 36.5986 -60.264 36.5986 25.5744 -7.77685 -60.264 -7.77695 -7.64131 GPRESSAVG: 4342200 -66.4748 38.2947 -59.549 33.8068 25.8749 -7.5527 -57.8336 -9.64275 -7.56772 TIMING: 4342200 CPU: 13780.5, 0.00314926/step Wall: 13780.5, 0.00314926/step, 0.575441 hours remaining, 240.550781 MB of memory in use. ENERGY: 4342200 3981.0623 20614.0924 14390.6539 238.4268 -202813.0107 2066.0627 0.0000 0.0000 52179.3628 -109343.3499 299.8755 -161522.7126 -108984.7254 299.3938 -149.8863 -120.7108 763163.6530 -16.1419 -16.0559 PRESSURE: 4342400 -83.7658 -17.2154 42.6573 -17.2157 209.024 41.1691 42.6585 41.1683 -141.647 GPRESSURE: 4342400 0.333449 -9.53608 109.693 -30.8291 225.917 -19.7944 -61.2781 -60.4892 -167.702 PRESSAVG: 4342400 -10.9495 -5.03783 18.7661 -5.03782 -21.0694 33.5115 18.7661 33.5115 4.34335 GPRESSAVG: 4342400 -11.1819 -7.43787 18.3368 -3.27736 -21.201 34.2418 17.8431 32.5182 4.50407 TIMING: 4342400 CPU: 13781.1, 0.00315471/step Wall: 13781.1, 0.00315471/step, 0.576261 hours remaining, 240.550781 MB of memory in use. ENERGY: 4342400 4036.5180 20655.7853 14442.5599 241.8453 -202745.2486 2324.6442 0.0000 0.0000 51870.8939 -109173.0020 298.1027 -161043.8959 -108815.6378 299.4122 -5.4631 19.5163 762507.0890 -9.2252 -9.2929 PRESSURE: 4342600 -143.874 129.357 -14.8698 129.357 -102.802 -263.601 -14.8692 -263.603 250.186 GPRESSURE: 4342600 -100.036 67.925 -24.4809 60.1953 -9.65533 -159.564 29.7141 -230.659 205.956 PRESSAVG: 4342600 -35.5769 -28.4431 -38.1415 -28.4431 -14.834 30.0876 -38.1415 30.0876 3.53878 GPRESSAVG: 4342600 -35.5423 -27.4078 -37.7916 -26.7537 -14.5158 29.0749 -37.9543 31.9562 3.19957 TIMING: 4342600 CPU: 13781.8, 0.00315626/step Wall: 13781.8, 0.00315626/step, 0.576368 hours remaining, 240.550781 MB of memory in use. ENERGY: 4342600 3938.3973 20508.3965 14403.8799 232.4189 -203320.3869 2569.9029 0.0000 0.0000 52481.9810 -109185.4104 301.6147 -161667.3914 -108824.4210 299.6105 1.1700 32.0882 761969.6203 -15.6241 -15.6195 PRESSURE: 4342800 -169.472 1.17678 -247.142 1.17592 -187.798 273.211 -247.142 273.212 504.53 GPRESSURE: 4342800 -172.253 9.75493 -228.618 -5.17708 -108.436 158.334 -176.474 148.731 530.08 PRESSAVG: 4342800 -30.0565 -26.3186 -8.66325 -26.3186 4.85126 -15.8944 -8.66329 -15.8943 -4.27131 GPRESSAVG: 4342800 -29.9118 -25.4987 -8.40546 -28.0927 4.89789 -15.9717 -8.54108 -16.3912 -4.1486 TIMING: 4342800 CPU: 13782.4, 0.0031555/step Wall: 13782.4, 0.0031555/step, 0.576055 hours remaining, 240.550781 MB of memory in use. ENERGY: 4342800 4034.8707 20583.7862 14404.6248 245.0149 -202859.7501 2170.6254 0.0000 0.0000 52134.4397 -109286.3884 299.6173 -161420.8281 -108927.8221 299.8315 49.0866 83.1305 761856.4464 -9.8255 -9.7209 PRESSURE: 4343000 -10.6068 -9.24493 -55.4918 -9.24552 -78.0917 135.2 -55.4913 135.2 307.255 GPRESSURE: 4343000 86.8892 -54.1728 -5.11488 121.369 -38.0553 79.363 -47.7731 180.695 293.384 PRESSAVG: 4343000 -54.219 28.2562 -42.1732 28.2562 64.056 29.7042 -42.1732 29.7043 20.4604 GPRESSAVG: 4343000 -54.1161 28.9531 -42.9433 26.7431 63.9992 30.562 -43.4425 28.6222 20.6632 TIMING: 4343000 CPU: 13783, 0.00315105/step Wall: 13783, 0.00315105/step, 0.575066 hours remaining, 240.550781 MB of memory in use. ENERGY: 4343000 3935.9565 20545.8154 14426.7264 251.0843 -203330.3523 2708.5444 0.0000 0.0000 52046.3186 -109415.9066 299.1109 -161462.2252 -109050.3870 299.4942 72.8522 114.0727 760030.1252 10.0992 10.1821 PRESSURE: 4343200 114.53 -90.994 -139.854 -90.994 58.6809 -244.769 -139.854 -244.768 -264.482 GPRESSURE: 4343200 208.071 -52.6433 -119.519 -66.1036 32.5019 -253.667 -37.0196 -87.712 -250.797 PRESSAVG: 4343200 -28.0766 20.3176 -47.8714 20.3176 25.5203 82.3224 -47.8714 82.3224 -27.101 GPRESSAVG: 4343200 -28.6538 19.3994 -48.8 21.4408 25.8906 83.3717 -45.8454 82.9494 -26.8877 TIMING: 4343200 CPU: 13783.6, 0.00314747/step Wall: 13783.6, 0.00314747/step, 0.574239 hours remaining, 240.550781 MB of memory in use. ENERGY: 4343200 3991.4245 20707.2874 14458.9528 252.3029 -203411.4269 2504.9735 0.0000 0.0000 52238.1366 -109258.3491 300.2133 -161496.4857 -108897.7057 299.7856 -30.4239 -3.4082 761364.7489 -9.8858 -9.8836 PRESSURE: 4343400 -102.646 -20.3494 -72.8191 -20.349 27.5213 332.678 -72.8202 332.678 67.831 GPRESSURE: 4343400 -41.005 -17.7935 -23.2898 -82.2022 -17.1205 345.773 -128.797 342.053 124.151 PRESSAVG: 4343400 -43.1304 13.9222 -28.5145 13.9222 40.7849 40.9227 -28.5145 40.9227 0.576132 GPRESSAVG: 4343400 -42.571 12.9477 -28.7362 14.9039 40.5885 40.0282 -30.887 42.7803 -0.252787 TIMING: 4343400 CPU: 13784.3, 0.00315446/step Wall: 13784.3, 0.00315446/step, 0.575338 hours remaining, 240.550781 MB of memory in use. ENERGY: 4343400 3934.3991 20676.9384 14438.3520 259.1592 -203104.1526 2389.9327 0.0000 0.0000 52251.6855 -109153.6857 300.2912 -161405.3712 -108784.7222 300.5314 -2.4314 22.0086 761043.6060 -0.5898 -0.7451 PRESSURE: 4343600 -202.889 -48.6876 -174.397 -48.688 -256.882 52.3229 -174.397 52.3235 -77.9034 GPRESSURE: 4343600 -125.971 20.2427 -145.052 -118.962 -172.205 -4.84534 -96.3971 -52.3209 -156.264 PRESSAVG: 4343600 -51.4325 -8.18662 -63.0859 -8.18663 8.52711 86.6005 -63.0859 86.6006 11.3343 GPRESSAVG: 4343600 -51.004 -6.90782 -62.365 -9.53801 8.50866 86.8559 -61.1611 83.841 10.7079 TIMING: 4343600 CPU: 13784.9, 0.00315055/step Wall: 13784.9, 0.00315055/step, 0.574451 hours remaining, 240.550781 MB of memory in use. ENERGY: 4343600 3975.0833 20614.2572 14427.9090 247.2447 -203402.0200 2403.3408 0.0000 0.0000 52336.7180 -109397.4669 300.7798 -161734.1849 -109033.8328 300.4418 -179.2250 -151.4802 762139.2532 -10.5237 -10.5958 PRESSURE: 4343800 -284.401 -191.534 -163.057 -191.535 -59.932 241.782 -163.057 241.782 -270.074 GPRESSURE: 4343800 -289.385 -148.466 -229.167 -18.1272 -40.5187 362.96 -224.47 164.766 -216.122 PRESSAVG: 4343800 -34.881 31.5769 -96.0234 31.577 53.1316 -3.40676 -96.0234 -3.40673 -0.671997 GPRESSAVG: 4343800 -34.911 29.6657 -96.3045 31.6106 52.759 -2.29319 -98.0489 -3.58912 -0.684664 TIMING: 4343800 CPU: 13785.5, 0.00315242/step Wall: 13785.5, 0.00315242/step, 0.574616 hours remaining, 240.550781 MB of memory in use. ENERGY: 4343800 4052.7087 20549.8474 14416.7176 260.3690 -203540.7472 2554.6251 0.0000 0.0000 52039.8167 -109666.6627 299.0735 -161706.4794 -109300.0220 299.9855 -204.8023 -182.0086 760711.7100 5.8595 5.7211 PRESSURE: 4344000 40.3128 64.6355 -37.3423 64.6346 -94.5216 71.0837 -37.3426 71.0843 362.094 GPRESSURE: 4344000 76.3065 14.9412 58.7839 -14.15 -149.307 88.8364 -50.616 63.4619 467.758 PRESSAVG: 4344000 -16.3354 -49.5867 -19.3345 -49.5867 -2.13416 -0.107785 -19.3345 -0.107724 -11.0711 GPRESSAVG: 4344000 -18.1439 -51.151 -17.2009 -47.4039 -1.81833 -2.74189 -18.7045 -0.0839748 -9.90643 TIMING: 4344000 CPU: 13786.2, 0.00314548/step Wall: 13786.2, 0.00314548/step, 0.573177 hours remaining, 240.550781 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: 4344000 3958.6749 20631.1873 14479.2875 253.0035 -203472.7269 2455.7889 0.0000 0.0000 51913.6128 -109781.1718 298.3482 -161694.7846 -109427.9569 299.2219 102.6284 131.5858 760571.1076 -9.8469 -9.9562 PRESSURE: 4344200 212.693 -33.0074 152.647 -33.007 107.505 -45.1364 152.646 -45.1376 -267.4 GPRESSURE: 4344200 275.091 -57.5476 170.694 39.5684 124.743 55.2725 165.55 33.7412 -265.03 PRESSAVG: 4344200 6.30117 25.5934 -1.1018 25.5935 3.88372 -9.67001 -1.10183 -9.67007 -6.00964 GPRESSAVG: 4344200 6.63692 27.9093 -1.93603 24.3515 4.87539 -8.53683 -2.01225 -8.00079 -7.17204 TIMING: 4344200 CPU: 13786.8, 0.0031553/step Wall: 13786.8, 0.0031553/step, 0.574791 hours remaining, 240.550781 MB of memory in use. ENERGY: 4344200 4038.2119 20462.2636 14400.7306 245.7114 -203725.3694 2805.6099 0.0000 0.0000 52093.6332 -109679.2087 299.3828 -161772.8419 -109314.9448 299.0006 17.5995 44.9345 761323.3450 1.3917 1.4468 LDB: ============= START OF LOAD BALANCING ============== 13799.2 LDB: ============== END OF LOAD BALANCING =============== 13799.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13799.2 LDB: ============= START OF LOAD BALANCING ============== 13799.6 LDB: Largest compute 7032 load 0.035011 is 17.9% of average load 0.195391 LDB: Average compute 0.004386 is 2.2% of average load 0.195391 LDB: TIME 13799.6 LOAD: AVG 0.195391 MAX 0.215365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 13799.6 LOAD: AVG 0.195391 MAX 0.215365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: TIME 13799.6 LOAD: AVG 0.195391 MAX 0.215365 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: ============== END OF LOAD BALANCING =============== 13799.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13799.6 PRESSURE: 4344400 158.945 -58.8142 -111.524 -58.8146 -196.792 106.921 -111.524 106.92 -22.1908 GPRESSURE: 4344400 123.473 -82.0537 -117.216 -20.095 -156.685 22.0699 -184.632 109.518 48.7602 PRESSAVG: 4344400 -9.77439 4.48695 13.5097 4.48699 16.0142 16.8141 13.5097 16.8141 31.1434 GPRESSAVG: 4344400 -9.86363 4.30547 12.6436 5.41989 15.9936 16.0145 15.1711 16.1564 31.0604 TIMING: 4344400 CPU: 13787.4, 0.00321521/step Wall: 13787.4, 0.00321521/step, 0.585525 hours remaining, 239.324219 MB of memory in use. ENERGY: 4344400 4015.4389 20535.2398 14455.9512 243.5901 -203328.5505 2281.5782 0.0000 0.0000 51888.9620 -109907.7902 298.2066 -161796.7523 -109550.8037 298.4165 -20.0124 5.1826 761162.0646 12.4611 12.3968 PRESSURE: 4344600 98.5637 83.7419 434.43 83.7414 87.7247 52.3494 434.43 52.3492 13.9282 GPRESSURE: 4344600 157.609 -52.25 374.727 16.594 67.035 86.4858 241.759 87.9313 71.4832 PRESSAVG: 4344600 -56.7815 52.0547 14.0683 52.0547 59.0856 41.8081 14.0683 41.808 -14.3536 GPRESSAVG: 4344600 -55.4106 52.559 15.3529 50.4492 56.7802 42.0735 12.3051 41.5783 -13.0879 TIMING: 4344600 CPU: 13788.1, 0.00314137/step Wall: 13788.1, 0.00314137/step, 0.571903 hours remaining, 239.324219 MB of memory in use. ENERGY: 4344600 3940.6172 20517.2278 14436.3124 227.5605 -203688.6356 2880.4764 0.0000 0.0000 51901.7753 -109784.6659 298.2802 -161686.4412 -109422.7841 299.1509 66.7388 98.7090 762278.7215 -4.0165 -3.9061 PRESSURE: 4344800 339.654 -111.751 -74.5904 -111.751 267.836 60.8885 -74.5902 60.8886 418.713 GPRESSURE: 4344800 385.777 -161.828 -43.3748 -30.496 320.349 -50.8953 -192.034 -120.757 390.573 PRESSAVG: 4344800 -5.6269 -1.5939 -17.4105 -1.59396 30.1755 22.7085 -17.4105 22.7085 15.087 GPRESSAVG: 4344800 -6.48319 -0.301799 -18.5574 -3.63147 31.3577 22.5619 -16.1271 23.6231 14.6711 TIMING: 4344800 CPU: 13788.7, 0.00313642/step Wall: 13788.7, 0.00313642/step, 0.570829 hours remaining, 239.324219 MB of memory in use. ENERGY: 4344800 3896.0365 20548.2614 14410.0923 276.0866 -203777.6872 2803.0092 0.0000 0.0000 52038.5096 -109805.6917 299.0660 -161844.2012 -109445.6138 299.2216 342.0678 365.5666 761029.5141 13.2119 13.1819 PRESSURE: 4345000 -205.882 153.589 -3.31252 153.589 -237.039 62.0604 -3.3129 62.0609 -129.317 GPRESSURE: 4345000 -271.499 91.0637 12.0384 145.985 -123.596 96.8376 -44.1974 198.094 -88.3344 PRESSAVG: 4345000 -55.823 -19.4152 0.187784 -19.4152 21.7047 3.37037 0.187838 3.37046 7.05646 GPRESSAVG: 4345000 -55.5058 -18.9968 -0.0163661 -18.632 22.1291 2.80509 1.11969 4.41056 6.81219 TIMING: 4345000 CPU: 13789.3, 0.0031446/step Wall: 13789.3, 0.0031446/step, 0.572143 hours remaining, 239.324219 MB of memory in use. ENERGY: 4345000 4024.2813 20489.8659 14454.8524 257.0285 -203245.4017 2354.2202 0.0000 0.0000 51876.3453 -109788.8082 298.1341 -161665.1534 -109426.7999 298.6523 -190.7460 -161.1432 761232.7204 -9.0206 -8.8548 PRESSURE: 4345200 -196.992 -66.2516 128.676 -66.2511 -534.99 69.9522 128.676 69.9526 -659.156 GPRESSURE: 4345200 -259.355 40.8427 148.728 -1.412 -420.19 -11.8828 50.4194 150.346 -619.779 PRESSAVG: 4345200 2.53227 -36.7877 17.9719 -36.7877 44.2573 0.20567 17.972 0.205676 19.4894 GPRESSAVG: 4345200 2.50352 -36.0023 17.0069 -35.3789 44.1918 2.22563 18.8577 -2.34311 18.4925 TIMING: 4345200 CPU: 13790, 0.00314372/step Wall: 13790, 0.00314372/step, 0.571808 hours remaining, 239.324219 MB of memory in use. ENERGY: 4345200 4016.8258 20588.8135 14383.2617 235.8184 -203249.2416 2100.5334 0.0000 0.0000 51991.7047 -109932.2840 298.7970 -161923.9886 -109570.5158 298.5989 -463.7126 -433.1079 761555.0626 22.0930 21.7293 PRESSURE: 4345400 -524.431 -108.563 -126.006 -108.562 68.3292 2.16552 -126.007 2.16629 -327.293 GPRESSURE: 4345400 -424.852 -118.521 -145.814 -165.6 51.8681 -3.58332 -137.948 42.5576 -320.413 PRESSAVG: 4345400 -37.0037 -32.6118 -2.54059 -32.6118 24.8659 58.8504 -2.54052 58.8504 -27.8741 GPRESSAVG: 4345400 -36.3204 -33.7178 -1.70916 -32.9533 23.9757 59.0229 -5.0361 59.9353 -27.6321 TIMING: 4345400 CPU: 13790.6, 0.00312533/step Wall: 13790.6, 0.00312533/step, 0.568289 hours remaining, 239.324219 MB of memory in use. ENERGY: 4345400 4003.6458 20432.2456 14449.5323 234.7295 -203705.5156 2535.7534 0.0000 0.0000 52055.9215 -109993.6875 299.1661 -162049.6090 -109629.6923 298.5246 -261.1316 -231.1322 761516.6398 -13.3373 -13.3256 PRESSURE: 4345600 250.359 44.9153 14.2131 44.9152 188.338 -100.93 14.2134 -100.929 -155.269 GPRESSURE: 4345600 216.399 53.6469 11.489 -96.9716 241.598 -214.573 -70.497 -147.125 -105.438 PRESSAVG: 4345600 1.53492 -7.68159 4.87717 -7.68153 -7.56906 34.4917 4.87713 34.4916 10.7962 GPRESSAVG: 4345600 1.65852 -6.80716 4.34854 -9.07038 -7.72129 33.3169 3.96965 34.3639 10.9633 TIMING: 4345600 CPU: 13791.2, 0.00312304/step Wall: 13791.2, 0.00312304/step, 0.567699 hours remaining, 239.324219 MB of memory in use. ENERGY: 4345600 3941.6110 20547.5783 14413.3214 243.1194 -203707.4618 2741.4196 0.0000 0.0000 52087.5611 -109732.8510 299.3479 -161820.4121 -109362.0275 299.1978 94.4760 117.5197 759566.4843 1.5874 1.6335 PRESSURE: 4345800 -192.598 -35.2799 -59.0885 -35.2805 251.946 -232.598 -59.0888 -232.598 136.086 GPRESSURE: 4345800 -120.795 -9.1747 -25.8905 64.4369 247.545 -187.956 167.118 -144.486 161.892 PRESSAVG: 4345800 -44.4135 -28.5646 5.83268 -28.5646 79.4151 5.17623 5.83266 5.17627 -2.76288 GPRESSAVG: 4345800 -46.1675 -32.6609 6.46701 -25.3478 81.1074 6.86319 9.9591 5.16428 -2.71158 TIMING: 4345800 CPU: 13791.8, 0.00314749/step Wall: 13791.8, 0.00314749/step, 0.571969 hours remaining, 239.324219 MB of memory in use. ENERGY: 4345800 3987.9231 20582.2121 14451.8726 260.3457 -203383.4532 2487.9523 0.0000 0.0000 51936.8217 -109676.3257 298.4816 -161613.1475 -109323.2481 299.2240 65.1446 96.2142 759238.8244 10.7463 10.7428 PRESSURE: 4346000 46.7516 201.868 -80.3118 201.868 -216.459 89.4246 -80.3118 89.4241 80.3318 GPRESSURE: 4346000 105.947 206.891 -254.146 174.464 -68.4808 162.312 -104.404 45.6052 -39.5835 PRESSAVG: 4346000 5.17011 -36.2792 -37.6617 -36.2792 11.4716 19.1888 -37.6618 19.1889 11.9651 GPRESSAVG: 4346000 6.04815 -32.2564 -37.4872 -37.7005 11.8867 18.9243 -40.8062 19.5191 10.647 TIMING: 4346000 CPU: 13792.5, 0.00314893/step Wall: 13792.5, 0.00314893/step, 0.572055 hours remaining, 239.324219 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: 4346000 3932.7765 20395.8759 14357.3761 247.2423 -203157.7389 2252.7404 0.0000 0.0000 52467.4422 -109504.2853 301.5311 -161971.7275 -109131.6915 299.8417 -29.7919 -0.7057 761031.4697 9.5356 9.5273 PRESSURE: 4346200 91.3286 177.887 188.367 177.889 -84.5855 -27.2914 188.367 -27.2905 424.87 GPRESSURE: 4346200 172.747 74.4895 242.06 120.69 -30.0199 7.1268 176.661 6.52303 385.381 PRESSAVG: 4346200 -1.69306 2.53101 -15.2696 2.53097 4.17289 -2.96213 -15.2695 -2.96215 4.60121 GPRESSAVG: 4346200 -1.64456 1.1098 -15.373 2.62482 3.03568 -2.87538 -15.2913 -2.19898 5.43253 TIMING: 4346200 CPU: 13793.1, 0.00312883/step Wall: 13793.1, 0.00312883/step, 0.56823 hours remaining, 239.324219 MB of memory in use. ENERGY: 4346200 3968.4577 20408.7567 14366.0685 241.8452 -203309.4280 2499.8083 0.0000 0.0000 52402.1049 -109422.3867 301.1556 -161824.4916 -109060.6363 300.0497 143.8711 176.0359 758942.0337 2.3603 2.2745 PRESSURE: 4346400 -29.5325 -106.574 -145.279 -106.576 -241.331 47.6453 -145.279 47.6441 -270.678 GPRESSURE: 4346400 -31.023 -191.045 -149.74 -110.35 -191.381 44.0696 -32.3303 -65.7395 -243.881 PRESSAVG: 4346400 9.65456 45.6909 13.237 45.6909 -21.9179 -1.04482 13.237 -1.04481 2.73246 GPRESSAVG: 4346400 8.61593 44.3465 14.3242 46.8435 -21.3752 -1.12283 14.1097 -1.28548 3.23546 TIMING: 4346400 CPU: 13793.7, 0.00314087/step Wall: 13793.7, 0.00314087/step, 0.570242 hours remaining, 239.324219 MB of memory in use. ENERGY: 4346400 3968.8967 20608.2051 14388.9639 252.8809 -203217.8347 2373.4478 0.0000 0.0000 52016.6728 -109608.7674 298.9405 -161625.4402 -109243.1587 299.6923 -180.5139 -155.4284 760556.4752 -3.1770 -3.1746 PRESSURE: 4346600 -301.402 -115.876 82.2097 -115.878 -154.786 160.23 82.2091 160.229 -199.768 GPRESSURE: 4346600 -203.061 -157.802 53.4911 -198.906 -114.883 115.784 47.3825 149.001 -257.173 PRESSAVG: 4346600 25.3852 -64.9351 76.6749 -64.9351 9.0108 15.3416 76.6748 15.3416 28.1916 GPRESSAVG: 4346600 25.2452 -61.7455 75.2014 -67.8238 8.61391 14.5194 77.7638 15.7079 28.4042 TIMING: 4346600 CPU: 13794.3, 0.00315413/step Wall: 13794.3, 0.00315413/step, 0.572475 hours remaining, 239.324219 MB of memory in use. ENERGY: 4346600 4085.9540 20677.3076 14381.6431 234.9004 -203761.2211 2843.2135 0.0000 0.0000 51871.4976 -109666.7050 298.1062 -161538.2025 -109310.0459 299.5591 -218.6520 -191.7054 759179.5051 20.8625 20.7544 PRESSURE: 4346800 -322.245 75.1834 174.798 75.1834 -269.698 -51.0563 174.798 -51.0579 -304.101 GPRESSURE: 4346800 -232.987 -89.4176 196.304 68.9737 -270.157 -24.7079 74.5729 -89.6079 -281.736 PRESSAVG: 4346800 -83.9007 -21.1834 53.7649 -21.1833 6.69435 35.922 53.7649 35.922 4.4005 GPRESSAVG: 4346800 -83.0889 -24.4856 54.6182 -19.2496 6.77953 37.0576 53.4719 33.6579 3.15132 TIMING: 4346800 CPU: 13795, 0.00313947/step Wall: 13795, 0.00313948/step, 0.56964 hours remaining, 239.324219 MB of memory in use. ENERGY: 4346800 4027.0293 20561.8094 14438.5687 235.1028 -203538.5324 2437.1063 0.0000 0.0000 52324.2358 -109514.6801 300.7081 -161838.9159 -109148.3992 299.5763 -298.6815 -261.6268 761132.9461 -24.2686 -24.3860 PRESSURE: 4347000 -258.196 47.877 156.936 47.8785 -87.6823 -139.07 156.936 -139.071 -337.002 GPRESSURE: 4347000 -180.587 174.414 154.544 25.0519 -122.203 -161.444 263.242 -9.47586 -280.938 PRESSAVG: 4347000 -2.84437 31.725 7.18904 31.7249 40.3861 5.67237 7.18901 5.67241 -1.4416 GPRESSAVG: 4347000 -2.2293 32.8782 7.15322 29.8841 40.3119 4.51812 7.27565 9.07171 -1.3928 TIMING: 4347000 CPU: 13795.6, 0.00315462/step Wall: 13795.6, 0.00315462/step, 0.572212 hours remaining, 239.324219 MB of memory in use. ENERGY: 4347000 4043.8962 20587.6066 14479.8429 236.0589 -203482.2039 2543.6414 0.0000 0.0000 52098.7018 -109492.4560 299.4120 -161591.1578 -109135.8326 299.9303 -227.6269 -194.5760 760313.4983 12.0334 12.2299 PRESSURE: 4347200 -69.8765 -147.611 379.205 -147.611 -93.7676 107.383 379.204 107.383 -160.788 GPRESSURE: 4347200 130.605 -92.7834 332.316 -43.785 -149.332 6.66702 454.428 126.007 -233.175 PRESSAVG: 4347200 -28.1115 -50.5234 34.6378 -50.5234 5.00963 1.3684 34.6379 1.36846 -20.2666 GPRESSAVG: 4347200 -27.7896 -49.6284 35.4668 -50.5451 5.89608 0.996251 33.4312 -1.2363 -20.8376 TIMING: 4347200 CPU: 13796.2, 0.00315144/step Wall: 13796.2, 0.00315144/step, 0.57146 hours remaining, 239.324219 MB of memory in use. ENERGY: 4347200 4007.0458 20362.4660 14433.4049 271.4677 -202976.2148 2304.2342 0.0000 0.0000 52247.2543 -109350.3421 300.2657 -161597.5963 -108980.5996 299.8955 -108.1442 -83.9672 761539.4430 -14.4562 -14.2437 PRESSURE: 4347400 -114.045 -125.261 -152.494 -125.261 474.984 112 -152.494 111.999 -167.379 GPRESSURE: 4347400 2.04593 -14.0118 -280.133 -150.305 461.328 -3.80916 -150.631 130.511 -169.18 PRESSAVG: 4347400 -42.0325 -94.8877 16.0616 -94.8877 12.6882 20.5854 16.0617 20.5854 11.0819 GPRESSAVG: 4347400 -42.2961 -94.4767 13.517 -95.0485 12.7422 21.9486 16.9825 21.6855 10.7414 TIMING: 4347400 CPU: 13796.9, 0.00316925/step Wall: 13796.9, 0.00316925/step, 0.574515 hours remaining, 239.324219 MB of memory in use. ENERGY: 4347400 4021.7690 20630.1860 14489.3907 248.4945 -203359.4534 2587.5858 0.0000 0.0000 51950.0124 -109432.0151 298.5574 -161382.0275 -109080.0182 299.5688 64.5199 98.0646 759898.9756 -6.0875 -6.2708 PRESSURE: 4347600 -65.5246 145.301 -153.659 145.302 -68.5789 2.00895 -153.659 2.00877 -398.955 GPRESSURE: 4347600 8.67209 146.063 -194.602 -64.7962 -155.668 -34.3858 -76.3695 28.4991 -308.16 PRESSAVG: 4347600 16.1457 -62.3398 -42.2006 -62.3398 36.7312 -6.99608 -42.2006 -6.99617 0.209459 GPRESSAVG: 4347600 15.9494 -61.6522 -42.1592 -61.5291 36.2889 -7.62859 -38.7471 -4.93446 0.505454 TIMING: 4347600 CPU: 13797.5, 0.00315648/step Wall: 13797.5, 0.00315648/step, 0.572024 hours remaining, 239.324219 MB of memory in use. ENERGY: 4347600 4034.5222 20314.5146 14522.2678 245.6190 -203011.2721 2399.5176 0.0000 0.0000 52017.8905 -109476.9405 298.9475 -161494.8310 -109094.9981 299.8787 -177.6862 -151.7186 761602.1639 17.6954 17.5813 PRESSURE: 4347800 90.4585 1.28263 33.0529 1.28268 85.1959 211.976 33.0523 211.976 -85.0113 GPRESSURE: 4347800 66.9544 1.87107 -15.714 117.132 164.621 312.211 -66.2427 164.587 -67.5923 PRESSAVG: 4347800 19.4501 -44.3049 12.7577 -44.305 -69.5812 54.0772 12.7577 54.0773 17.2999 GPRESSAVG: 4347800 19.2359 -46.2044 13.8535 -44.7245 -68.612 55.2679 9.72229 51.2007 17.2749 TIMING: 4347800 CPU: 13798.1, 0.00314468/step Wall: 13798.1, 0.00314468/step, 0.569711 hours remaining, 239.324219 MB of memory in use. ENERGY: 4347800 3990.6676 20464.3820 14442.1994 228.7886 -203392.4168 2374.9337 0.0000 0.0000 52377.5723 -109513.8732 301.0146 -161891.4456 -109152.0326 299.5698 30.2144 54.6610 760483.7948 -10.9437 -10.7004 PRESSURE: 4348000 -115.071 -133.525 -46.9206 -133.525 -129.271 59.934 -46.92 59.9347 81.3282 GPRESSURE: 4348000 -86.8193 -163.449 86.695 -108.46 -70.1637 58.3403 -147.291 177.947 66.6117 PRESSAVG: 4348000 18.3475 -88.7166 -16.7885 -88.7166 -31.2543 36.4496 -16.7886 36.4496 17.7591 GPRESSAVG: 4348000 18.3313 -88.5773 -17.0291 -89.1027 -30.3401 35.9343 -16.8978 38.443 17.4406 TIMING: 4348000 CPU: 13798.8, 0.00315817/step Wall: 13798.8, 0.00315817/step, 0.57198 hours remaining, 239.324219 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: 4348000 4028.6395 20452.9672 14348.7163 247.6393 -203246.7526 2318.6886 0.0000 0.0000 52336.1977 -109513.9040 300.7768 -161850.1016 -109136.4365 299.9111 -54.3378 -30.1238 760063.6291 1.6174 1.8106 PRESSURE: 4348200 177.059 127.604 -70.3205 127.604 -31.7163 -130.818 -70.3203 -130.818 -103.31 GPRESSURE: 4348200 238.561 79.6173 -67.7886 200.795 -48.5994 -98.2062 -50.4188 -62.5736 -55.8947 PRESSAVG: 4348200 1.76333 -21.6556 1.39988 -21.6556 -14.8898 30.6374 1.3999 30.6375 16.4674 GPRESSAVG: 4348200 2.44456 -21.3755 0.0456885 -20.4305 -16.0549 30.9558 1.15686 31.0401 17.4904 TIMING: 4348200 CPU: 13799.4, 0.00315647/step Wall: 13799.4, 0.00315647/step, 0.571496 hours remaining, 239.324219 MB of memory in use. ENERGY: 4348200 4033.7331 20530.6177 14377.6293 250.2913 -203340.4590 2530.4162 0.0000 0.0000 52116.7513 -109501.0201 299.5157 -161617.7714 -109144.1815 300.1293 14.0108 44.6888 759578.0911 1.1136 1.2934 LDB: ============= START OF LOAD BALANCING ============== 13811.8 LDB: ============== END OF LOAD BALANCING =============== 13811.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13811.8 LDB: ============= START OF LOAD BALANCING ============== 13812.2 LDB: Largest compute 7059 load 0.035985 is 18.4% of average load 0.195470 LDB: Average compute 0.004388 is 2.2% of average load 0.195470 LDB: TIME 13812.2 LOAD: AVG 0.19547 MAX 0.216998 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.859 MB LDB: TIME 13812.2 LOAD: AVG 0.19547 MAX 0.216998 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.953 MB LDB: TIME 13812.2 LOAD: AVG 0.19547 MAX 0.216998 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.953 MB LDB: ============== END OF LOAD BALANCING =============== 13812.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13812.2 PRESSURE: 4348400 -227.18 -99.1934 -3.88089 -99.193 -1.82863 -32.9498 -3.88037 -32.9499 146.506 GPRESSURE: 4348400 -157.827 -135.206 -16.013 -24.289 -28.5348 -8.41015 97.9312 -118.19 185.232 PRESSAVG: 4348400 -36.8888 -19.2059 -10.976 -19.2058 17.3902 0.191827 -10.976 0.191832 1.00041 GPRESSAVG: 4348400 -36.6142 -19.3696 -9.28681 -19.8105 16.4495 -1.15732 -10.3947 -2.09585 0.812196 TIMING: 4348400 CPU: 13800, 0.00323282/step Wall: 13800, 0.00323282/step, 0.58514 hours remaining, 240.039062 MB of memory in use. ENERGY: 4348400 4068.3463 20720.3242 14375.2824 260.2208 -202998.4737 2314.7094 0.0000 0.0000 51848.6323 -109410.9581 297.9748 -161259.5905 -109058.6559 299.5036 -27.5006 -0.3767 761491.1954 -6.1661 -6.4508 PRESSURE: 4348600 -49.2948 -140.355 85.0857 -140.355 213.331 152.404 85.0853 152.404 -48.9989 GPRESSURE: 4348600 -39.446 -34.0599 102.748 -80.495 218.704 211.66 2.8851 53.2746 22.8983 PRESSAVG: 4348600 -26.5682 -74.307 14.801 -74.3071 26.8939 -38.0858 14.801 -38.0858 -2.20146 GPRESSAVG: 4348600 -28.4145 -72.7819 14.7321 -74.5791 27.0268 -38.6012 15.6037 -36.4587 -0.463217 TIMING: 4348600 CPU: 13800.7, 0.00316519/step Wall: 13800.7, 0.00316519/step, 0.572724 hours remaining, 240.039062 MB of memory in use. ENERGY: 4348600 3954.4209 20625.3501 14453.6229 245.7586 -203859.2205 2680.1391 0.0000 0.0000 52194.1349 -109705.7940 299.9604 -161899.9289 -109351.5657 299.5452 38.3458 67.3854 759612.7051 -0.6253 -0.6170 PRESSURE: 4348800 -173.792 -154.255 68.9346 -154.256 82.5015 301.728 68.9352 301.727 8.4877 GPRESSURE: 4348800 -228.042 -216.226 81.0389 -136.607 129.143 358.328 83.8723 257.259 91.7149 PRESSAVG: 4348800 -12.7381 -58.0416 36.5645 -58.0416 17.1484 -27.4845 36.5645 -27.4845 4.61531 GPRESSAVG: 4348800 -12.4502 -59.3611 37.9865 -60.5469 18.4402 -26.6011 35.6623 -28.3452 3.41884 TIMING: 4348800 CPU: 13801.3, 0.00314516/step Wall: 13801.3, 0.00314516/step, 0.568925 hours remaining, 240.039062 MB of memory in use. ENERGY: 4348800 3967.6069 20327.1972 14372.2341 256.5933 -203150.0025 2308.5224 0.0000 0.0000 52214.2365 -109703.6121 300.0759 -161917.8486 -109325.7542 299.4801 -27.6010 -2.3947 761154.7831 3.0085 3.1363 PRESSURE: 4349000 -95.7779 62.993 -140.085 62.9937 333.413 -124.319 -140.085 -124.319 141.946 GPRESSURE: 4349000 -50.4389 44.6865 -189.669 22.3035 372.09 -128.175 -119.076 -28.9796 142.818 PRESSAVG: 4349000 31.6396 25.832 -35.0131 25.832 -31.1149 -5.90926 -35.0131 -5.9093 12.9952 GPRESSAVG: 4349000 32.074 26.4161 -37.7782 28.0179 -31.2087 -7.06612 -33.828 -7.49949 12.8324 TIMING: 4349000 CPU: 13801.9, 0.00314372/step Wall: 13801.9, 0.00314372/step, 0.568489 hours remaining, 240.039062 MB of memory in use. ENERGY: 4349000 3900.5702 20439.2324 14450.8538 257.0612 -203450.4166 2678.1143 0.0000 0.0000 51940.7893 -109783.7954 298.5044 -161724.5847 -109411.5185 299.0488 126.5269 154.8231 760153.1530 4.5066 4.5659 PRESSURE: 4349200 -167.875 -109.211 79.1798 -109.212 84.4821 -148.28 79.18 -148.279 -320.901 GPRESSURE: 4349200 -139.403 -86.8258 31.1818 -120.016 100.396 -174.404 84.7694 -21.7469 -277.945 PRESSAVG: 4349200 -27.5205 -36.9527 -21.1675 -36.9528 3.2633 -13.2882 -21.1674 -13.2882 -32.9799 GPRESSAVG: 4349200 -26.4209 -35.637 -19.4921 -36.5609 2.46268 -11.7017 -21.9088 -10.1266 -33.4589 TIMING: 4349200 CPU: 13802.6, 0.00317048/step Wall: 13802.6, 0.00317048/step, 0.573152 hours remaining, 240.039062 MB of memory in use. ENERGY: 4349200 4048.7862 20600.2296 14401.1191 244.9157 -203153.1834 2186.2436 0.0000 0.0000 52045.8730 -109626.0162 299.1083 -161671.8892 -109259.0370 298.7860 -134.7647 -105.6508 760603.9717 -19.0790 -19.1390 PRESSURE: 4349400 92.4873 -57.2684 -244.465 -57.2681 -52.0708 -27.7791 -244.464 -27.7797 -165.711 GPRESSURE: 4349400 87.6231 -37.4029 -174.054 -89.1354 28.8709 -111.925 -124.74 -12.3151 -169.83 PRESSAVG: 4349400 38.2196 -42.2777 -8.19426 -42.2777 -62.1083 -32.5007 -8.19425 -32.5007 -1.44882 GPRESSAVG: 4349400 38.1717 -45.5109 -8.08074 -41.8517 -62.0724 -34.0642 -8.39337 -34.339 -1.91309 TIMING: 4349400 CPU: 13803.2, 0.00314438/step Wall: 13803.2, 0.00314439/step, 0.56826 hours remaining, 240.039062 MB of memory in use. ENERGY: 4349400 3923.6024 20373.9929 14481.1783 247.1994 -203111.4705 2384.9347 0.0000 0.0000 52084.3431 -109616.2198 299.3294 -161700.5629 -109241.4377 298.8969 -41.7650 -17.7787 761674.7585 -8.4458 -8.6046 PRESSURE: 4349600 -33.8771 -82.4527 -50.5678 -82.4523 75.8004 92.5198 -50.5677 92.5187 -243.232 GPRESSURE: 4349600 29.8364 -84.3592 -88.1531 -9.518 125.244 89.3789 73.5818 186.463 -271.266 PRESSAVG: 4349600 8.98636 0.747367 20.4076 0.747363 -24.7139 -26.6462 20.4076 -26.6462 -14.4222 GPRESSAVG: 4349600 9.45939 4.81499 19.6801 -0.115678 -24.5111 -25.4268 22.3252 -27.8064 -15.2502 TIMING: 4349600 CPU: 13803.8, 0.00315669/step Wall: 13803.8, 0.00315669/step, 0.570309 hours remaining, 240.039062 MB of memory in use. ENERGY: 4349600 4029.6934 20568.3733 14454.8981 221.6338 -203339.0563 2254.1478 0.0000 0.0000 52145.2472 -109665.0627 299.6795 -161810.3099 -109296.9620 299.1065 -67.1030 -38.7287 761228.3532 -10.0499 -10.1006 PRESSURE: 4349800 -207.791 162.213 -203.123 162.213 133.903 252.013 -203.122 252.014 -44.0337 GPRESSURE: 4349800 -305.142 119.407 -237.596 102.202 174.434 200.119 -171.653 157.208 74.639 PRESSAVG: 4349800 -57.7361 56.472 17.8255 56.472 22.9956 -35.7609 17.8255 -35.761 0.108068 GPRESSAVG: 4349800 -58.8378 55.4513 18.3009 54.4417 22.0345 -35.8689 16.2189 -33.926 2.67664 TIMING: 4349800 CPU: 13804.5, 0.00315933/step Wall: 13804.5, 0.00315933/step, 0.57061 hours remaining, 240.039062 MB of memory in use. ENERGY: 4349800 3958.0511 20546.2997 14394.2283 262.9789 -203109.4200 2303.1277 0.0000 0.0000 51920.7623 -109723.9718 298.3893 -161644.7342 -109365.5961 299.1082 -39.3073 -18.6896 762754.2153 -11.5441 -11.3756 PRESSURE: 4350000 -101.562 29.6761 -154.165 29.6762 -437.756 -77.7137 -154.164 -77.7143 185.918 GPRESSURE: 4350000 -176.908 8.69989 -120.58 7.04052 -294.959 -87.0496 -133.044 -111.656 201.351 PRESSAVG: 4350000 -0.124061 14.5591 31.0151 14.5591 45.628 1.63541 31.0151 1.63542 -7.92445 GPRESSAVG: 4350000 -0.827233 11.1069 30.2933 19.1892 46.5784 2.21513 29.6857 -0.022852 -8.38224 TIMING: 4350000 CPU: 13805.1, 0.00314355/step Wall: 13805.1, 0.00314355/step, 0.567585 hours remaining, 240.039062 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: 4350000 4026.9821 20576.2550 14414.8156 227.0657 -203171.2135 2271.6213 0.0000 0.0000 52151.9934 -109502.4804 299.7182 -161654.4738 -109155.0203 299.5199 -117.7999 -90.1724 760584.4290 12.5265 12.4563 PRESSURE: 4350200 19.7736 -14.9795 81.5812 -14.9806 128.671 -14.4728 81.5807 -14.4728 -173.272 GPRESSURE: 4350200 130.498 -37.1069 102.717 -14.6474 137.123 -1.29767 138.428 46.6594 -180.523 PRESSAVG: 4350200 -32.3494 -26.399 2.71162 -26.3991 37.1796 71.2697 2.71166 71.2697 -3.71187 GPRESSAVG: 4350200 -30.6034 -24.0379 3.24091 -28.4963 36.2229 70.0181 1.99205 72.5341 -4.2475 TIMING: 4350200 CPU: 13805.7, 0.00317248/step Wall: 13805.7, 0.00317248/step, 0.572632 hours remaining, 240.039062 MB of memory in use. ENERGY: 4350200 3967.6753 20469.8092 14397.6651 248.2159 -203383.7590 2457.0504 0.0000 0.0000 52190.9170 -109652.4261 299.9419 -161843.3431 -109291.9282 299.7383 -8.2759 29.0324 761224.8016 0.3728 0.4573 PRESSURE: 4350400 -164.869 59.3975 43.3163 59.3978 -105.321 -260.957 43.3158 -260.956 -466.147 GPRESSURE: 4350400 -67.9209 36.1555 -23.9061 28.9564 -136.278 -252.333 -25.3095 -209.095 -440.737 PRESSAVG: 4350400 12.6842 35.335 41.6865 35.335 -67.0021 24.7081 41.6865 24.7081 15.361 GPRESSAVG: 4350400 12.682 35.6521 40.6584 34.6113 -66.9466 24.4246 43.7894 25.5504 15.5997 TIMING: 4350400 CPU: 13806.4, 0.00316593/step Wall: 13806.4, 0.00316593/step, 0.571274 hours remaining, 240.039062 MB of memory in use. ENERGY: 4350400 4033.3139 20553.0840 14415.4404 251.8280 -203891.6292 2791.5892 0.0000 0.0000 52288.2604 -109558.1133 300.5014 -161846.3737 -109193.1206 299.3775 -245.4456 -214.9785 761159.5581 -12.9856 -12.8883 PRESSURE: 4350600 35.3784 -147.711 -17.0884 -147.711 -18.7548 136.392 -17.0886 136.391 184.899 GPRESSURE: 4350600 82.8058 -221.28 37.2343 -138.742 29.6227 140.517 -63.183 194.561 162.641 PRESSAVG: 4350600 35.9503 24.4775 11.2091 24.4776 -40.1849 6.28555 11.2091 6.28546 22.1776 GPRESSAVG: 4350600 35.8228 22.7523 11.79 24.4169 -39.0297 5.68893 9.06142 6.89342 21.2018 TIMING: 4350600 CPU: 13807, 0.0031593/step Wall: 13807, 0.0031593/step, 0.569902 hours remaining, 240.039062 MB of memory in use. ENERGY: 4350600 4030.0774 20547.3448 14465.4359 263.3658 -203824.4103 2699.6851 0.0000 0.0000 51983.4492 -109835.0520 298.7496 -161818.5013 -109474.0187 299.5276 67.1742 91.6900 759775.8611 5.9810 5.9983 PRESSURE: 4350800 11.7031 -47.5382 -58.5557 -47.538 -9.09928 215.965 -58.5562 215.966 93.3311 GPRESSURE: 4350800 57.6938 47.9221 -74.6027 15.8938 -16.8377 239.674 -118.693 60.7966 135.358 PRESSAVG: 4350800 23.6708 -39.1875 15.6235 -39.1875 -40.9009 31.7924 15.6235 31.7925 1.35011 GPRESSAVG: 4350800 23.8307 -38.7335 16.9304 -36.4523 -41.8387 34.3726 16.1895 30.2913 2.07124 TIMING: 4350800 CPU: 13807.6, 0.00315388/step Wall: 13807.6, 0.00315388/step, 0.568749 hours remaining, 240.039062 MB of memory in use. ENERGY: 4350800 4032.7199 20652.2798 14410.8382 264.1191 -203451.3462 2565.2996 0.0000 0.0000 52066.3487 -109459.7409 299.2260 -161526.0896 -109103.3433 299.4710 31.9783 58.7382 761028.5393 -5.2933 -5.3122 PRESSURE: 4351000 81.244 62.9454 -148.758 62.9451 31.0686 243.955 -148.757 243.955 384.497 GPRESSURE: 4351000 184.527 48.7137 -221.252 8.13258 94.3919 312.714 -182.08 300.51 303.636 PRESSAVG: 4351000 44.7421 5.13538 -30.8662 5.13538 -56.138 43.5916 -30.8662 43.5915 -24.2628 GPRESSAVG: 4351000 44.6744 6.45098 -33.8351 1.37881 -55.7393 42.862 -29.0326 43.3122 -24.4183 TIMING: 4351000 CPU: 13808.2, 0.00315577/step Wall: 13808.2, 0.00315577/step, 0.568914 hours remaining, 240.039062 MB of memory in use. ENERGY: 4351000 3994.3574 20741.5153 14391.6527 258.6780 -203348.0879 2458.1137 0.0000 0.0000 51979.8363 -109523.9344 298.7288 -161503.7708 -109164.7367 300.1017 165.6031 194.1852 759460.8842 -11.8862 -11.8277 PRESSURE: 4351200 139.139 -291.645 -1.78919 -291.645 181.39 22.0098 -1.78905 22.0099 -136.397 GPRESSURE: 4351200 188.332 -254.07 82.8787 -268.672 150.659 -24.3896 -25.2632 37.7997 -61.8902 PRESSAVG: 4351200 -17.4497 -48.3767 18.3722 -48.3767 53.8211 8.81043 18.3722 8.81041 -7.42478 GPRESSAVG: 4351200 -18.1861 -48.7554 19.772 -47.9337 54.6655 7.2283 17.1152 8.96978 -7.94344 TIMING: 4351200 CPU: 13808.9, 0.00315253/step Wall: 13808.9, 0.00315253/step, 0.568156 hours remaining, 240.039062 MB of memory in use. ENERGY: 4351200 3895.7220 20621.6523 14469.0200 242.4139 -203604.8866 2568.0307 0.0000 0.0000 52248.5113 -109559.5364 300.2729 -161808.0477 -109183.9275 299.8873 61.3773 92.3666 760139.1403 9.6489 9.5120 PRESSURE: 4351400 148.563 105.039 111.725 105.04 248.177 -6.03588 111.726 -6.03733 64.7658 GPRESSURE: 4351400 269.556 89.395 89.3291 -19.0841 160.885 21.2329 253.44 8.38426 129.731 PRESSAVG: 4351400 -39.2987 -14.8123 -24.173 -14.8123 55.6867 17.7184 -24.1729 17.7183 -7.40938 GPRESSAVG: 4351400 -37.8852 -15.5662 -23.6767 -13.9344 53.5135 19.0364 -23.1885 17.851 -6.5775 TIMING: 4351400 CPU: 13809.5, 0.00313108/step Wall: 13809.5, 0.00313108/step, 0.564116 hours remaining, 240.039062 MB of memory in use. ENERGY: 4351400 4008.6227 20589.1459 14438.9619 265.6428 -203457.5802 2558.6276 0.0000 0.0000 51886.5642 -109710.0152 298.1928 -161596.5794 -109352.0486 299.8724 153.8353 186.7239 759087.6446 2.9929 3.0170 PRESSURE: 4351600 -279.54 12.008 -181.334 12.0084 -136.037 -334.024 -181.334 -334.024 174.278 GPRESSURE: 4351600 -215.993 -79.4779 -160.62 35.669 -68.8904 -264.468 -38.4999 -320.545 131.527 PRESSAVG: 4351600 -18.3206 -4.26253 8.1571 -4.26254 61.9572 -63.5858 8.15701 -63.5859 -1.77709 GPRESSAVG: 4351600 -17.9164 -4.72903 8.57855 -4.28561 61.6172 -64.0546 8.94934 -64.1485 -2.0782 TIMING: 4351600 CPU: 13810.1, 0.00315529/step Wall: 13810.1, 0.00315529/step, 0.568303 hours remaining, 240.039062 MB of memory in use. ENERGY: 4351600 4030.1607 20658.4403 14451.9554 250.1400 -203372.0705 2125.5389 0.0000 0.0000 52373.0952 -109482.7401 300.9889 -161855.8353 -109130.0691 299.5859 -80.4329 -51.1188 759362.8043 13.9532 13.8742 PRESSURE: 4351800 213.27 163.672 -202.689 163.672 357.278 218.92 -202.688 218.92 37.1147 GPRESSURE: 4351800 257.191 74.3591 -131.454 158.914 439.897 132.506 -257.6 191.327 14.9769 PRESSAVG: 4351800 -28.3587 -16.6818 -26.7875 -16.6818 42.4002 16.6008 -26.7874 16.6008 8.6898 GPRESSAVG: 4351800 -28.9185 -18.7199 -26.1507 -15.4298 45.3975 14.9974 -28.6309 18.6115 6.28105 TIMING: 4351800 CPU: 13810.8, 0.0031372/step Wall: 13810.8, 0.0031372/step, 0.56487 hours remaining, 240.039062 MB of memory in use. ENERGY: 4351800 4031.6255 20471.7264 14421.8085 256.6399 -203946.1696 2753.3908 0.0000 0.0000 52320.9587 -109690.0198 300.6893 -162010.9785 -109331.0120 299.6068 202.5544 237.3549 758792.9737 7.5771 7.5867 PRESSURE: 4352000 31.2327 109.454 249.84 109.454 438.163 15.3087 249.84 15.3082 131.498 GPRESSURE: 4352000 96.468 136.28 150.928 35.0518 423.056 37.044 200.52 28.1953 142.916 PRESSAVG: 4352000 -57.3517 -12.8089 13.152 -12.8089 77.4935 11.2612 13.1521 11.2612 12.3669 GPRESSAVG: 4352000 -57.4938 -11.0407 13.9444 -14.491 76.9304 11.6244 12.2584 11.4923 13.4482 TIMING: 4352000 CPU: 13811.4, 0.00315237/step Wall: 13811.4, 0.00315237/step, 0.567427 hours remaining, 240.039062 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: 4352000 4103.1395 20377.4022 14432.4623 237.8872 -203699.4887 2762.0251 0.0000 0.0000 52071.3095 -109715.2629 299.2545 -161786.5724 -109348.7592 298.9151 200.2981 220.8133 759256.7677 10.8362 10.9616 PRESSURE: 4352200 -302.62 33.3762 -11.761 33.3769 -41.3453 -121.885 -11.7598 -121.884 371.396 GPRESSURE: 4352200 -233.526 6.25824 -46.9306 -31.9894 26.2696 -128.122 78.1628 -161.74 296.23 PRESSAVG: 4352200 -25.0374 -46.1055 38.5732 -46.1055 12.8227 44.5561 38.5733 44.556 -3.55932 GPRESSAVG: 4352200 -24.1306 -46.0856 37.154 -45.3627 12.2447 44.8096 38.9084 43.1811 -3.7245 TIMING: 4352200 CPU: 13812, 0.00314668/step Wall: 13812, 0.00314668/step, 0.566228 hours remaining, 240.039062 MB of memory in use. ENERGY: 4352200 3951.8695 20590.9744 14437.0482 265.5287 -203218.5973 2490.5069 0.0000 0.0000 51878.2793 -109604.3902 298.1452 -161482.6695 -109247.1915 298.7464 9.1437 29.6577 761564.2351 -5.2580 -5.2035 LDB: ============= START OF LOAD BALANCING ============== 13824.5 LDB: ============== END OF LOAD BALANCING =============== 13824.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13824.5 LDB: ============= START OF LOAD BALANCING ============== 13824.8 LDB: Largest compute 7059 load 0.034520 is 17.7% of average load 0.195343 LDB: Average compute 0.004398 is 2.3% of average load 0.195343 LDB: TIME 13824.8 LOAD: AVG 0.195343 MAX 0.216862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 13824.8 LOAD: AVG 0.195343 MAX 0.216862 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: TIME 13824.8 LOAD: AVG 0.195343 MAX 0.216862 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.504 MB LDB: ============== END OF LOAD BALANCING =============== 13824.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13824.8 PRESSURE: 4352400 228.832 -37.4194 63.1763 -37.4184 162.786 116.606 63.1766 116.605 -161.485 GPRESSURE: 4352400 290.489 -75.8909 -21.658 -61.6476 66.009 126.525 82.7218 68.3271 -53.7882 PRESSAVG: 4352400 2.03514 22.6754 67.3845 22.6753 13.0605 -8.82419 67.3845 -8.8242 -18.2276 GPRESSAVG: 4352400 0.859355 20.8657 68.4507 22.8073 12.5817 -11.4862 68.7653 -6.89115 -16.1883 TIMING: 4352400 CPU: 13812.7, 0.00322995/step Wall: 13812.7, 0.00322995/step, 0.581032 hours remaining, 239.460938 MB of memory in use. ENERGY: 4352400 3954.3982 20411.5970 14477.0360 267.9198 -203290.2488 2688.4869 0.0000 0.0000 52091.7773 -109399.0335 299.3722 -161490.8108 -109035.9643 299.7663 76.7108 100.9034 761401.2462 -1.0440 -0.9158 PRESSURE: 4352600 -220.419 150.544 121.383 150.543 -53.897 -122.894 121.383 -122.894 277.163 GPRESSURE: 4352600 -223.163 115.296 141.034 104.543 1.61828 -73.4012 30.8983 -211.77 303.551 PRESSAVG: 4352600 -62.3592 31.584 -1.85153 31.584 91.275 1.23131 -1.85152 1.23137 -5.1131 GPRESSAVG: 4352600 -61.6739 32.8578 -2.32726 30.6775 92.2918 3.24749 -1.97243 -0.17169 -6.58595 TIMING: 4352600 CPU: 13813.3, 0.00314219/step Wall: 13813.3, 0.00314219/step, 0.56507 hours remaining, 239.460938 MB of memory in use. ENERGY: 4352600 3945.1480 20525.4834 14401.5317 243.7772 -203371.8503 2617.0057 0.0000 0.0000 52182.9785 -109455.9257 299.8963 -161638.9042 -109089.4763 299.6687 0.9490 27.3354 760973.9553 7.9343 8.0107 PRESSURE: 4352800 -341.549 215.597 15.1003 215.597 127.337 -30.8941 15.1007 -30.8942 102.741 GPRESSURE: 4352800 -213.194 162.997 -39.7435 158.919 111.847 -68.1793 58.9832 -122.662 93.7399 PRESSAVG: 4352800 -59.9366 7.23936 16.6018 7.23931 39.4239 -26.3857 16.6018 -26.3858 -9.65396 GPRESSAVG: 4352800 -60.0785 6.29216 17.6637 7.21494 39.4614 -25.585 15.2686 -27.2368 -9.51697 TIMING: 4352800 CPU: 13813.9, 0.00314578/step Wall: 13813.9, 0.00314578/step, 0.565541 hours remaining, 239.460938 MB of memory in use. ENERGY: 4352800 3993.6226 20430.8373 14417.4028 255.5885 -203152.6973 2459.7220 0.0000 0.0000 52347.9066 -109247.6175 300.8441 -161595.5241 -108882.3800 300.2665 -37.1569 -2.5357 760276.9998 -10.0556 -10.0447 PRESSURE: 4353000 10.0068 -116.206 220.235 -116.206 158.439 -55.4888 220.236 -55.4883 464.77 GPRESSURE: 4353000 14.2636 -157.375 232.398 -59.2903 230.178 -78.3189 150.207 -40.4857 481.686 PRESSAVG: 4353000 -61.0082 20.4595 -50.0756 20.4595 37.0369 -8.78848 -50.0756 -8.78852 -0.460687 GPRESSAVG: 4353000 -61.7172 21.0947 -50.0359 20.214 38.028 -8.60091 -48.2403 -9.08102 -0.752787 TIMING: 4353000 CPU: 13814.6, 0.00315998/step Wall: 13814.6, 0.00315998/step, 0.567918 hours remaining, 239.460938 MB of memory in use. ENERGY: 4353000 4016.3478 20474.1569 14437.7940 240.4110 -203178.9355 2375.1892 0.0000 0.0000 52305.9715 -109329.0651 300.6031 -161635.0366 -108968.7317 300.1300 211.0721 242.0424 760729.8426 -8.1440 -8.1473 PRESSURE: 4353200 -267.783 -19.613 196.685 -19.6125 169.225 93.9762 196.684 93.9763 48.2194 GPRESSURE: 4353200 -179.263 -144.486 209.481 3.44038 124.705 -18.0534 112.981 27.3248 88.1341 PRESSAVG: 4353200 -47.3187 -3.59764 -27.541 -3.59766 47.8073 -22.3247 -27.5411 -22.3247 25.4472 GPRESSAVG: 4353200 -46.1871 -4.21495 -28.0202 -2.02157 45.9074 -22.8163 -28.9029 -18.5461 25.9065 TIMING: 4353200 CPU: 13815.2, 0.00315011/step Wall: 13815.2, 0.00315011/step, 0.56597 hours remaining, 239.460938 MB of memory in use. ENERGY: 4353200 3962.0900 20540.7943 14483.5724 233.5303 -203364.9635 2510.3541 0.0000 0.0000 52334.5596 -109300.0628 300.7674 -161634.6224 -108943.6518 300.2646 -16.7796 11.1920 762125.2696 8.6453 8.5423 PRESSURE: 4353400 -169.867 -58.0156 -272.108 -58.0165 91.2126 -216.809 -272.107 -216.809 -204.988 GPRESSURE: 4353400 -197.331 15.7176 -251.498 -66.759 126.106 -236.145 -322.446 -295.319 -125.077 PRESSAVG: 4353400 -17.7532 -24.0034 -27.7373 -24.0033 43.5062 -7.5748 -27.7373 -7.57472 3.24917 GPRESSAVG: 4353400 -18.4591 -23.9813 -28.9496 -24.3688 43.5574 -8.11809 -27.8892 -11.5846 3.60573 TIMING: 4353400 CPU: 13815.8, 0.00314375/step Wall: 13815.8, 0.00314375/step, 0.564652 hours remaining, 239.460938 MB of memory in use. ENERGY: 4353400 3998.7305 20344.3710 14429.1331 260.4708 -203245.8542 2450.8593 0.0000 0.0000 52482.1009 -109280.1887 301.6154 -161762.2896 -108901.1033 300.5723 -94.5475 -65.4341 759644.0695 9.6674 9.5680 PRESSURE: 4353600 166.273 -42.3791 -289.3 -42.3794 357.843 -88.0755 -289.301 -88.0752 -410.577 GPRESSURE: 4353600 193.49 -92.8239 -179.532 -56.6138 307.152 -133.807 -359.902 -23.1149 -303.357 PRESSAVG: 4353600 -50.1968 -36.1589 -7.92972 -36.1589 86.0127 -10.1116 -7.92975 -10.1116 2.10595 GPRESSAVG: 4353600 -51.0686 -35.4596 -6.6538 -36.1842 87.4244 -10.3558 -8.07007 -8.47331 1.51719 TIMING: 4353600 CPU: 13816.4, 0.00314013/step Wall: 13816.4, 0.00314013/step, 0.563828 hours remaining, 239.460938 MB of memory in use. ENERGY: 4353600 4022.0197 20580.4489 14529.5227 228.3486 -203039.9811 2313.3991 0.0000 0.0000 52140.9235 -109225.3187 299.6546 -161366.2422 -108858.8568 300.4034 37.8465 65.7616 760049.3938 12.6406 12.6243 PRESSURE: 4353800 -198.862 90.8603 63.7204 90.8612 100.564 -77.4932 63.7198 -77.4921 -274.822 GPRESSURE: 4353800 -196.374 212.237 80.495 -103.415 200.227 -23.2362 211.375 -21.7408 -277.665 PRESSAVG: 4353800 -55.3781 -87.0992 -37.4909 -87.0992 85.3351 23.0513 -37.4909 23.0514 5.25606 GPRESSAVG: 4353800 -54.1064 -89.843 -39.1359 -87.1664 84.0658 24.2364 -33.7316 22.27 5.04227 TIMING: 4353800 CPU: 13817.1, 0.0031591/step Wall: 13817.1, 0.0031591/step, 0.567058 hours remaining, 239.460938 MB of memory in use. ENERGY: 4353800 4004.9896 20437.8551 14459.6649 244.3795 -203409.0165 2500.8523 0.0000 0.0000 52432.1719 -109329.1032 301.3284 -161761.2751 -108950.4155 300.1002 -124.3731 -91.2708 762537.3922 11.7377 11.6672 PRESSURE: 4354000 -545.67 -171.427 -176.346 -171.427 -228.059 210.755 -176.346 210.755 -501.701 GPRESSURE: 4354000 -458.039 -96.7537 -202.198 -108.518 -279.077 150.33 -318.203 52.0935 -443.283 PRESSAVG: 4354000 -96.2112 -66.3718 -59.0612 -66.3718 59.4585 18.3843 -59.0611 18.3843 -5.93129 GPRESSAVG: 4354000 -96.3673 -62.3282 -59.1591 -67.3132 59.691 16.1423 -61.5544 19.1393 -6.41343 TIMING: 4354000 CPU: 13817.7, 0.00313746/step Wall: 13817.7, 0.00313746/step, 0.563 hours remaining, 239.460938 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: 4354000 4021.9538 20566.5237 14438.3705 250.8039 -202741.0922 2135.2356 0.0000 0.0000 51963.7638 -109364.4411 298.6365 -161328.2048 -109004.8107 299.8478 -425.1431 -393.4665 764182.3348 -14.2280 -14.3632 PRESSURE: 4354200 -136.306 -129.763 69.1399 -129.762 3.68713 -42.3736 69.1394 -42.3735 -28.6661 GPRESSURE: 4354200 -90.625 -137.101 106.36 -122.566 -4.64879 -85.7126 90.556 118.48 29.3143 PRESSAVG: 4354200 -28.9839 -62.2437 1.74288 -62.2437 42.1647 11.8009 1.74284 11.8009 -18.6338 GPRESSAVG: 4354200 -30.6578 -64.3762 3.69961 -61.5384 43.295 12.7526 0.0310564 12.5606 -18.1783 TIMING: 4354200 CPU: 13818.3, 0.00314185/step Wall: 13818.3, 0.00314185/step, 0.563614 hours remaining, 239.460938 MB of memory in use. ENERGY: 4354200 4004.3823 20550.7591 14491.4021 239.2066 -203125.8638 2506.8281 0.0000 0.0000 52091.1643 -109242.1213 299.3686 -161333.2856 -108882.2560 300.1323 -53.7618 -21.9865 761842.5188 -1.8177 -1.8470 PRESSURE: 4354400 -80.7674 -32.8005 55.3551 -32.8009 66.4298 9.17171 55.3547 9.17195 18.7478 GPRESSURE: 4354400 -55.0635 -157.044 236.252 -95.674 106.87 93.9752 -60.2055 -51.802 33.9771 PRESSAVG: 4354400 -115.331 -38.0031 -44.6966 -38.003 41.4123 23.6032 -44.6965 23.6032 2.7412 GPRESSAVG: 4354400 -113.822 -36.3155 -42.5841 -40.5483 39.917 24.4947 -44.1668 22.0066 2.97184 TIMING: 4354400 CPU: 13819, 0.00313162/step Wall: 13819, 0.00313162/step, 0.561603 hours remaining, 239.460938 MB of memory in use. ENERGY: 4354400 3920.0640 20493.6294 14441.6102 248.4962 -203106.8971 2508.6857 0.0000 0.0000 52297.8997 -109196.5119 300.5567 -161494.4116 -108836.0732 300.3568 1.4701 28.5946 760386.0111 -23.7260 -23.6443 PRESSURE: 4354600 381.789 -59.9076 -83.9614 -59.9081 307.279 29.6363 -83.9616 29.6364 466.265 GPRESSURE: 4354600 372.123 88.9602 -146.518 95.3319 430.401 67.6134 -26.8058 0.195764 449.397 PRESSAVG: 4354600 -64.6538 -28.8677 -6.92519 -28.8677 101.581 54.5271 -6.92523 54.527 -10.4752 GPRESSAVG: 4354600 -65.9471 -27.5286 -9.73097 -27.2758 102.402 54.2652 -3.65726 54.1475 -10.2166 TIMING: 4354600 CPU: 13819.6, 0.0031289/step Wall: 13819.6, 0.0031289/step, 0.560942 hours remaining, 239.460938 MB of memory in use. ENERGY: 4354600 3981.1273 20273.8103 14428.9223 242.5810 -203277.0891 2797.6946 0.0000 0.0000 52164.8040 -109388.1495 299.7918 -161552.9535 -109023.0844 300.1410 385.1111 417.3067 760067.7148 8.8173 8.7462 PRESSURE: 4354800 -75.6615 81.1664 64.3011 81.1662 -155.323 55.4399 64.3014 55.4391 -418.189 GPRESSURE: 4354800 -61.2246 173.345 -32.0522 129.343 -172.654 39.5496 96.5842 -64.2909 -347.869 PRESSAVG: 4354800 -22.3378 5.07107 -43.7272 5.07105 49.5702 13.3205 -43.7272 13.3205 33.5305 GPRESSAVG: 4354800 -21.5188 2.15109 -40.2731 7.19524 48.71 13.7116 -47.5732 13.1497 33.3387 TIMING: 4354800 CPU: 13820.2, 0.00313386/step Wall: 13820.2, 0.00313386/step, 0.561658 hours remaining, 239.460938 MB of memory in use. ENERGY: 4354800 4069.3647 20287.7492 14480.4803 233.9204 -203377.4641 2604.9084 0.0000 0.0000 52324.4232 -109376.6180 300.7092 -161701.0412 -109006.3733 299.7578 -216.3909 -193.9157 760907.2700 20.2543 20.1766 PRESSURE: 4355000 -118.262 -69.1197 -82.3248 -69.1204 -132.219 -114.239 -82.3247 -114.239 305.775 GPRESSURE: 4355000 -52.9013 -70.6238 -5.26981 -50.6451 -59.0964 -71.4719 -109.708 19.0896 252.246 PRESSAVG: 4355000 -5.19869 -10.6419 -14.3702 -10.6419 29.7004 -51.6964 -14.3702 -51.6964 9.93245 GPRESSAVG: 4355000 -5.33923 -9.26986 -16.9657 -12.6009 30.4396 -51.7573 -11.5345 -51.3657 9.97668 TIMING: 4355000 CPU: 13820.8, 0.00314109/step Wall: 13820.8, 0.00314109/step, 0.562778 hours remaining, 239.460938 MB of memory in use. ENERGY: 4355000 3956.3696 20392.5322 14417.2035 241.9217 -203612.0676 2692.6716 0.0000 0.0000 52233.9683 -109677.4006 300.1893 -161911.3690 -109319.4945 299.4135 18.4313 46.7494 760478.4576 11.4781 11.6923 PRESSURE: 4355200 -134.013 -61.0308 138.58 -61.0307 -12.4397 -149.708 138.58 -149.706 -110.655 GPRESSURE: 4355200 -117.049 -49.5795 100.865 -128.452 -30.3712 -136.783 95.0212 -85.9826 -41.2112 PRESSAVG: 4355200 -49.4893 -25.6175 11.4389 -25.6176 54.5647 23.3156 11.4389 23.3156 -11.6413 GPRESSAVG: 4355200 -50.3729 -27.8214 11.2226 -24.4004 55.0223 21.6928 10.5198 24.9568 -10.898 TIMING: 4355200 CPU: 13821.5, 0.00312903/step Wall: 13821.5, 0.00312903/step, 0.560444 hours remaining, 239.460938 MB of memory in use. ENERGY: 4355200 3972.7777 20572.7577 14444.3782 245.9614 -203272.2412 2701.9982 0.0000 0.0000 52038.9901 -109295.3778 299.0688 -161334.3680 -108944.2223 299.1155 -85.7024 -62.8772 760548.4646 -2.1886 -2.0829 PRESSURE: 4355400 354.432 -95.301 -193.319 -95.3002 2.57503 277.683 -193.318 277.682 70.149 GPRESSURE: 4355400 363.241 3.45409 -121.491 -12.2277 55.4296 290.994 -162.401 41.3284 91.6552 PRESSAVG: 4355400 -27.5868 -4.17367 22.017 -4.17358 49.7323 -6.20613 22.017 -6.20622 -2.77025 GPRESSAVG: 4355400 -26.6771 -4.05086 23.0732 -5.13735 49.8224 -4.76324 23.087 -7.88001 -4.00645 TIMING: 4355400 CPU: 13822.1, 0.00314544/step Wall: 13822.1, 0.00314544/step, 0.563208 hours remaining, 239.460938 MB of memory in use. ENERGY: 4355400 3994.6935 20459.5898 14360.9758 262.5584 -203625.3203 3011.2902 0.0000 0.0000 52132.9543 -109403.2582 299.6088 -161536.2125 -109044.7642 299.2941 142.3854 170.1085 762538.3466 6.4584 6.3796 PRESSURE: 4355600 21.8351 101.409 -227.914 101.41 -90.007 -148.875 -227.914 -148.874 -418.146 GPRESSURE: 4355600 24.6666 79.0418 -241.969 103.12 -40.359 -164.918 -195.249 -141.745 -378.802 PRESSAVG: 4355600 -30.1232 -0.809606 -3.33421 -0.809643 4.02425 -20.597 -3.33423 -20.5969 5.39952 GPRESSAVG: 4355600 -28.84 -1.40352 -5.16935 0.367704 3.35897 -20.0274 -5.15929 -19.9669 5.1202 TIMING: 4355600 CPU: 13822.7, 0.00312358/step Wall: 13822.7, 0.00312358/step, 0.559122 hours remaining, 239.460938 MB of memory in use. ENERGY: 4355600 3983.1620 20365.1772 14447.5147 243.0223 -203491.9902 2770.0411 0.0000 0.0000 52160.2695 -109522.8035 299.7658 -161683.0730 -109160.4981 299.2262 -162.1059 -131.4980 761493.8380 -6.8998 -6.7869 PRESSURE: 4355800 96.6704 -80.1155 2.93879 -80.1155 -153.754 -85.0533 2.93899 -85.0534 -15.2616 GPRESSURE: 4355800 85.0408 -118.265 55.9659 -102.935 -179.92 -23.4807 -20.7249 -106.595 109.084 PRESSAVG: 4355800 -13.1989 -10.7833 -14.2572 -10.7833 6.31235 -18.6146 -14.2571 -18.6146 -15.6928 GPRESSAVG: 4355800 -13.7543 -11.8862 -14.478 -11.4778 6.04866 -19.0057 -13.1633 -18.0134 -14.9783 TIMING: 4355800 CPU: 13823.3, 0.00315684/step Wall: 13823.3, 0.00315684/step, 0.564898 hours remaining, 239.460938 MB of memory in use. ENERGY: 4355800 3933.9008 20526.0375 14462.7723 242.9739 -203224.5611 2588.2663 0.0000 0.0000 52089.0678 -109381.5426 299.3566 -161470.6103 -109024.8697 299.2669 -24.1150 4.7348 762471.0958 -7.5265 -7.5613 PRESSURE: 4356000 -84.9341 36.6662 -56.7941 36.6655 -67.0344 134.7 -56.7943 134.7 195.323 GPRESSURE: 4356000 51.6213 101.083 11.9698 20.8595 -89.6968 140.956 3.68211 75.5201 167.144 PRESSAVG: 4356000 30.014 -29.1302 -32.472 -29.1302 -27.8863 -68.3381 -32.472 -68.338 17.9462 GPRESSAVG: 4356000 30.1832 -25.9094 -30.801 -32.3246 -27.6026 -68.5626 -32.9593 -69.5231 17.2051 TIMING: 4356000 CPU: 13824, 0.00312684/step Wall: 13824, 0.00312684/step, 0.559356 hours remaining, 239.460938 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: 4356000 4001.4725 20523.7903 14391.2780 236.7322 -203325.1749 2553.2991 0.0000 0.0000 52142.0137 -109476.5891 299.6609 -161618.6028 -109117.8427 299.8441 14.4514 43.0229 761580.4278 6.6913 6.5952 PRESSURE: 4356200 7.87003 -113.16 -188.735 -113.16 31.3125 -221.147 -188.735 -221.147 -409.686 GPRESSURE: 4356200 -7.96576 -53.4376 -91.4802 -66.0185 105.651 -152.432 -50.1127 -256.444 -386.75 PRESSAVG: 4356200 10.5646 3.62382 29.0618 3.62383 12.4539 -33.1116 29.0618 -33.1116 15.777 GPRESSAVG: 4356200 10.661 2.434 27.8855 7.68879 12.3656 -32.2262 29.1291 -33.415 15.4978 TIMING: 4356200 CPU: 13824.6, 0.00314928/step Wall: 13824.6, 0.00314928/step, 0.563196 hours remaining, 239.460938 MB of memory in use. ENERGY: 4356200 3982.7799 20614.7499 14468.9891 238.4865 -203134.4198 2598.6502 0.0000 0.0000 52008.8530 -109221.9111 298.8956 -161230.7641 -108871.5227 299.8102 -123.5013 -96.3548 762731.2206 12.9318 12.8415 LDB: ============= START OF LOAD BALANCING ============== 13837.1 LDB: ============== END OF LOAD BALANCING =============== 13837.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13837.1 LDB: ============= START OF LOAD BALANCING ============== 13837.4 LDB: Largest compute 7032 load 0.035973 is 18.4% of average load 0.195432 LDB: Average compute 0.004398 is 2.3% of average load 0.195432 LDB: TIME 13837.4 LOAD: AVG 0.195432 MAX 0.212295 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.742 MB LDB: TIME 13837.4 LOAD: AVG 0.195432 MAX 0.212295 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.816 MB LDB: TIME 13837.4 LOAD: AVG 0.195432 MAX 0.212295 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.816 MB LDB: ============== END OF LOAD BALANCING =============== 13837.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13837.4 PRESSURE: 4356400 65.0212 -128.651 2.39219 -128.65 -245.241 -214.105 2.39293 -214.105 -93.4577 GPRESSURE: 4356400 147.506 -90.7069 -48.9725 -171.184 -240.538 -146.346 -46.554 -298.779 -91.1107 PRESSAVG: 4356400 -22.2314 -2.13348 -22.0091 -2.1335 11.0907 -35.0053 -22.0092 -35.0053 26.6944 GPRESSAVG: 4356400 -22.5163 -3.12513 -21.5738 -3.17505 11.5885 -36.4267 -21.9912 -35.159 26.9369 TIMING: 4356400 CPU: 13825.2, 0.00321456/step Wall: 13825.2, 0.00321456/step, 0.574692 hours remaining, 240.281250 MB of memory in use. ENERGY: 4356400 3975.0348 20473.4344 14430.2768 261.0402 -203071.8304 2597.2713 0.0000 0.0000 52019.4794 -109315.2935 298.9567 -161334.7729 -108959.3249 300.1230 -91.2257 -61.3811 762213.5678 5.1846 5.3364 PRESSURE: 4356600 -274.72 168.401 319.425 168.399 -207.079 -38.0169 319.424 -38.0171 -5.91739 GPRESSURE: 4356600 -155.059 -50.0054 416.495 110.919 -233.363 40.1897 260.04 -127.55 -7.53925 PRESSAVG: 4356600 -26.1658 36.9059 40.7921 36.906 35.9365 -14.4123 40.7921 -14.4122 -10.0457 GPRESSAVG: 4356600 -25.9057 38.8167 40.1422 35.4115 36.4017 -14.4084 40.4432 -14.8849 -10.7198 TIMING: 4356600 CPU: 13825.9, 0.00315715/step Wall: 13825.9, 0.00315715/step, 0.564253 hours remaining, 240.281250 MB of memory in use. ENERGY: 4356600 4011.4913 20541.3420 14423.2817 243.9337 -203129.1575 2512.2921 0.0000 0.0000 52079.5309 -109317.2859 299.3018 -161396.8168 -108963.5597 299.6659 -162.5720 -131.9871 760733.3875 -0.0917 -0.0746 PRESSURE: 4356800 448.364 145.273 62.9312 145.273 143.204 79.5718 62.9306 79.5719 675.602 GPRESSURE: 4356800 463.107 121.961 26.4535 33.6786 228.513 66.4208 -27.2623 127.652 632.943 PRESSAVG: 4356800 18.9842 -24.8488 -1.06453 -24.8489 -24.4549 24.4503 -1.06452 24.4503 -5.74188 GPRESSAVG: 4356800 19.5629 -24.3155 -0.870913 -25.4963 -24.6193 23.4783 -0.194784 26.6167 -6.24362 TIMING: 4356800 CPU: 13826.5, 0.00318106/step Wall: 13826.5, 0.00318106/step, 0.56835 hours remaining, 240.281250 MB of memory in use. ENERGY: 4356800 4011.0949 20481.4193 14404.2395 249.2994 -203397.0227 2623.5255 0.0000 0.0000 51987.7199 -109639.7242 298.7741 -161627.4441 -109278.2109 299.6861 422.3897 441.5208 761026.7666 -3.7375 -3.7667 PRESSURE: 4357000 -326.062 32.5047 -125.237 32.5052 -54.2532 53.913 -125.236 53.912 -145.037 GPRESSURE: 4357000 -241.755 39.6719 -169.776 74.1732 -66.7354 3.36229 -141.275 80.3277 -145.496 PRESSAVG: 4357000 -16.8836 -10.6766 -21.8168 -10.6766 11.4778 50.0151 -21.8167 50.0152 -7.40816 GPRESSAVG: 4357000 -17.7503 -12.2996 -23.4761 -10.9907 12.4813 51.0333 -22.8173 50.9227 -7.48248 TIMING: 4357000 CPU: 13827.1, 0.00317504/step Wall: 13827.1, 0.00317504/step, 0.567098 hours remaining, 240.281250 MB of memory in use. ENERGY: 4357000 4047.0526 20506.8078 14457.5883 259.2920 -203195.6771 2374.5433 0.0000 0.0000 51929.4752 -109620.9180 298.4394 -161550.3931 -109255.6999 298.5835 -175.1177 -151.3287 762132.5657 -4.2713 -4.2505 PRESSURE: 4357200 82.9881 162.72 -45.7021 162.719 129.692 -23.119 -45.7027 -23.1175 110.714 GPRESSURE: 4357200 168.488 209.054 104.669 189.39 149.134 88.5591 -73.5085 0.352315 92.5561 PRESSAVG: 4357200 -19.5949 17.3277 -20.1652 17.3277 31.1622 -13.1157 -20.1652 -13.1157 -15.5619 GPRESSAVG: 4357200 -18.506 15.8699 -17.2704 21.0197 30.6373 -11.8003 -20.3213 -14.6569 -15.5917 TIMING: 4357200 CPU: 13827.8, 0.00317048/step Wall: 13827.8, 0.00317048/step, 0.566106 hours remaining, 240.281250 MB of memory in use. ENERGY: 4357200 3948.7361 20441.5763 14366.8834 243.9090 -203363.4521 2575.0776 0.0000 0.0000 52100.3932 -109686.8765 299.4217 -161787.2696 -109329.4034 298.6360 107.7983 136.7261 762338.3156 -1.3315 -1.1535 PRESSURE: 4357400 -509.359 24.7928 294.472 24.7918 -336.324 38.6726 294.471 38.6733 -402.58 GPRESSURE: 4357400 -360.715 -24.6701 229.853 51.5572 -385.498 -11.7675 43.1294 31.3305 -396.972 PRESSAVG: 4357400 9.99703 -0.79573 -17.2735 -0.795702 -14.1009 31.8083 -17.2736 31.8084 -2.18028 GPRESSAVG: 4357400 9.89907 0.0581842 -19.4556 -1.5774 -15.533 30.5299 -17.4693 33.24 -0.779361 TIMING: 4357400 CPU: 13828.4, 0.00315536/step Wall: 13828.4, 0.00315536/step, 0.563232 hours remaining, 240.281250 MB of memory in use. ENERGY: 4357400 4014.7274 20415.7278 14426.9718 245.3861 -203032.4708 2203.0736 0.0000 0.0000 52062.0721 -109664.5120 299.2014 -161726.5842 -109300.7684 298.7807 -416.0878 -381.0618 762336.1785 -2.0947 -2.1378 PRESSURE: 4357600 -203.979 37.7616 -84.6142 37.7615 -360.674 250.95 -84.6137 250.951 -117.942 GPRESSURE: 4357600 -191.291 -10.7025 -153.696 15.6885 -265.321 219.715 -25.6468 121.703 -155.461 PRESSAVG: 4357600 78.7874 -53.6031 -17.2993 -53.6031 -24.2235 12.164 -17.2992 12.1641 24.8305 GPRESSAVG: 4357600 78.9447 -54.1749 -17.249 -54.0604 -23.758 12.445 -16.9467 11.8973 23.8807 TIMING: 4357600 CPU: 13829, 0.003155/step Wall: 13829, 0.003155/step, 0.562993 hours remaining, 240.281250 MB of memory in use. ENERGY: 4357600 4019.2543 20354.8540 14430.9304 249.8276 -202989.2687 2157.7155 0.0000 0.0000 51881.1247 -109895.5622 298.1615 -161776.6869 -109538.0604 298.5334 -227.5316 -204.0245 760282.0401 26.4648 26.3558 PRESSURE: 4357800 -182.872 34.6767 -146.038 34.6763 -190.447 5.17863 -146.037 5.17889 264.073 GPRESSURE: 4357800 -43.6605 56.3928 -159.557 68.2206 -187.079 -21.4718 -13.1257 -117.777 210.048 PRESSAVG: 4357800 15.5178 -36.7213 14.002 -36.7214 -16.8152 54.5642 14.0021 54.5642 -18.8095 GPRESSAVG: 4357800 13.9512 -34.6434 14.1748 -37.141 -16.4601 54.0559 14.5729 53.4387 -17.4534 TIMING: 4357800 CPU: 13829.7, 0.00314282/step Wall: 13829.7, 0.00314282/step, 0.560644 hours remaining, 240.281250 MB of memory in use. ENERGY: 4357800 4016.3198 20448.7027 14437.7557 239.0026 -203538.8840 2568.0689 0.0000 0.0000 52195.8980 -109633.1362 299.9705 -161829.0343 -109281.9340 298.6600 -36.4151 -6.8972 760525.5340 -6.7023 -6.6541 PRESSURE: 4358000 -288.984 100.288 -143.323 100.289 -178.686 178.104 -143.322 178.104 106.352 GPRESSURE: 4358000 -238.271 108.005 -164.123 -20.9893 -153.049 235.74 -69.4244 141.359 106.281 PRESSAVG: 4358000 -61.9293 -24.7638 -7.57043 -24.7638 39.8761 62.5947 -7.57042 62.5947 25.3194 GPRESSAVG: 4358000 -60.9217 -25.6928 -7.79839 -22.5008 40.1913 62.7595 -5.3157 60.1046 24.7916 TIMING: 4358000 CPU: 13830.3, 0.00315613/step Wall: 13830.3, 0.00315613/step, 0.562844 hours remaining, 240.281250 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: 4358000 4010.2021 20431.9964 14422.3863 254.2807 -203692.1090 2728.8529 0.0000 0.0000 51966.8856 -109877.5049 298.6544 -161844.3905 -109526.3074 298.7497 -120.4395 -95.0131 760656.3553 1.0887 1.3537 PRESSURE: 4358200 -414.55 -51.7966 288.038 -51.7953 -307.936 -196.63 288.038 -196.631 87.7769 GPRESSURE: 4358200 -372.973 -28.2755 202.523 -23.5914 -299.873 -223.624 223.231 -154.006 97.2472 PRESSAVG: 4358200 -43.7222 -72.1619 17.4584 -72.162 38.2002 -40.5429 17.4585 -40.5429 3.53042 GPRESSAVG: 4358200 -42.3589 -71.5212 17.9587 -74.2888 38.3424 -41.9997 13.3466 -36.8398 2.61416 TIMING: 4358200 CPU: 13830.9, 0.00315586/step Wall: 13830.9, 0.00315586/step, 0.56262 hours remaining, 240.281250 MB of memory in use. ENERGY: 4358200 3970.4321 20520.2988 14419.6988 260.6550 -203254.0271 2289.8872 0.0000 0.0000 52069.7064 -109723.3487 299.2453 -161793.0551 -109373.3846 298.4803 -211.5696 -191.8662 761543.6141 -0.6639 -0.4674 PRESSURE: 4358400 131.7 34.6526 -4.62063 34.6523 -19.8902 -56.7869 -4.62041 -56.7875 260.273 GPRESSURE: 4358400 134.969 -0.450956 -22.6471 -27.1274 84.8209 -42.5067 67.9309 0.418263 227.776 PRESSAVG: 4358400 11.4135 -51.5448 36.5061 -51.5448 26.2523 -32.2618 36.5062 -32.2618 8.40048 GPRESSAVG: 4358400 10.1389 -52.9356 36.7532 -51.2488 26.3527 -30.5042 37.8696 -33.9649 9.91743 TIMING: 4358400 CPU: 13831.6, 0.00315382/step Wall: 13831.6, 0.00315382/step, 0.562081 hours remaining, 240.281250 MB of memory in use. ENERGY: 4358400 3990.9322 20555.2712 14505.3466 235.3802 -203837.6811 2841.6302 0.0000 0.0000 51903.7616 -109805.3591 298.2916 -161709.1207 -109448.5318 298.1108 124.0277 149.1886 760621.9805 15.3554 15.4697 PRESSURE: 4358600 -619.372 4.06585 -163.146 4.06595 -213.621 -64.4158 -163.146 -64.4162 334.431 GPRESSURE: 4358600 -551.287 -10.4564 -196.521 -14.2616 -260.849 -95.8209 -121.833 -115.456 378.812 PRESSAVG: 4358600 21.6493 -79.4793 -81.3238 -79.4793 5.77819 -33.7277 -81.3238 -33.7278 1.54606 GPRESSAVG: 4358600 21.6932 -81.9746 -82.1849 -78.7591 6.39003 -35.1366 -81.314 -33.6838 1.32447 TIMING: 4358600 CPU: 13832.2, 0.00318637/step Wall: 13832.2, 0.00318637/step, 0.567705 hours remaining, 240.281250 MB of memory in use. ENERGY: 4358600 3944.2611 20407.8428 14368.6943 239.5405 -203799.8426 2651.9010 0.0000 0.0000 52215.2780 -109972.3249 300.0819 -162187.6029 -109609.8067 298.3325 -166.1872 -144.4414 760967.4154 9.6578 9.8026 PRESSURE: 4358800 -13.665 78.5034 -21.5221 78.5035 -192.857 -96.1632 -21.5221 -96.1635 -357.323 GPRESSURE: 4358800 85.3591 56.6888 -48.7607 112.409 -288.685 -32.3637 73.1762 -40.5098 -257.132 PRESSAVG: 4358800 -57.0538 -56.6686 35.2281 -56.6686 50.5687 8.52165 35.2281 8.5216 -2.41768 GPRESSAVG: 4358800 -55.8148 -53.2022 35.081 -55.3052 49.3234 8.45674 36.5695 10.6028 -3.01099 TIMING: 4358800 CPU: 13832.8, 0.0031684/step Wall: 13832.8, 0.0031684/step, 0.564328 hours remaining, 240.281250 MB of memory in use. ENERGY: 4358800 4094.6193 20238.7203 14443.2189 262.4538 -203602.9744 2656.7305 0.0000 0.0000 51909.5625 -109997.6691 298.3250 -161907.2315 -109629.1499 298.3238 -187.9484 -153.4862 760784.2767 -2.9676 -3.1674 PRESSURE: 4359000 -380.107 32.7599 121.509 32.7601 110.725 260.818 121.509 260.818 -202.729 GPRESSURE: 4359000 -345.913 86.324 122.693 -85.7837 185.951 201.856 85.0632 196.386 -215.253 PRESSAVG: 4359000 -16.9308 -24.4878 -35.1632 -24.4879 2.18424 52.9638 -35.1632 52.9638 11.3743 GPRESSAVG: 4359000 -17.9419 -24.8888 -35.5968 -24.5843 2.76463 51.7202 -36.5744 53.2016 11.1377 TIMING: 4359000 CPU: 13833.5, 0.00316766/step Wall: 13833.5, 0.00316766/step, 0.564019 hours remaining, 240.281250 MB of memory in use. ENERGY: 4359000 4028.4711 20575.1963 14409.0355 237.2168 -203614.6627 2784.7635 0.0000 0.0000 51848.3447 -109731.6347 297.9731 -161579.9794 -109377.7662 298.5769 -157.3704 -125.0717 761930.4228 -1.1241 -1.3465 PRESSURE: 4359200 -264.198 -90.3991 33.8756 -90.3994 -5.77693 -107.893 33.8759 -107.893 14.1315 GPRESSURE: 4359200 -115.274 -28.1093 32.6707 -28.1486 -95.1608 -130.984 62.063 -38.3046 21.648 PRESSAVG: 4359200 -35.9136 21.5002 -3.00635 21.5002 69.7779 28.4617 -3.00632 28.4616 3.47402 GPRESSAVG: 4359200 -34.7565 21.6655 -2.18185 20.5886 69.4079 30.3683 -2.95329 27.3339 3.19486 TIMING: 4359200 CPU: 13834.1, 0.00316157/step Wall: 13834.1, 0.00316157/step, 0.562759 hours remaining, 240.281250 MB of memory in use. ENERGY: 4359200 3967.3249 20475.0938 14477.4893 262.9820 -203473.0907 2473.0533 0.0000 0.0000 52258.5383 -109558.6091 300.3305 -161817.1474 -109201.2824 299.3792 -85.2811 -62.9290 759563.3618 12.4461 12.6154 PRESSURE: 4359400 -76.5644 -57.8895 5.47556 -57.8891 -272.779 91.1961 5.47609 91.1959 -93.8147 GPRESSURE: 4359400 -43.9409 67.0516 -44.0921 -45.4456 -160.225 179.189 58.2795 -21.6876 -152.296 PRESSAVG: 4359400 15.4844 -2.43403 -22.5408 -2.43399 13.8953 9.2824 -22.5408 9.28237 -3.54185 GPRESSAVG: 4359400 15.1701 -2.63471 -21.8656 -2.66924 14.188 10.0986 -22.2776 8.24754 -3.79692 TIMING: 4359400 CPU: 13834.7, 0.0031405/step Wall: 13834.7, 0.0031405/step, 0.558835 hours remaining, 240.281250 MB of memory in use. ENERGY: 4359400 3956.0427 20435.5390 14406.0647 236.7102 -203139.4094 2414.9814 0.0000 0.0000 52095.8262 -109594.2452 299.3954 -161690.0714 -109226.2794 299.2119 -147.7195 -118.8207 760989.1822 8.6126 8.5204 PRESSURE: 4359600 235.949 3.05955 119.522 3.05968 -124.89 -25.0762 119.522 -25.0758 -6.71113 GPRESSURE: 4359600 185.416 -13.8307 190.116 -65.6626 -20.5363 -27.2908 73.7823 -93.5627 3.20742 PRESSAVG: 4359600 36.2211 30.1272 29.0647 30.1272 0.542639 -8.55607 29.0646 -8.55619 1.42507 GPRESSAVG: 4359600 37.2206 29.2853 27.0581 31.6462 -0.375543 -10.4974 28.3016 -5.81636 1.15871 TIMING: 4359600 CPU: 13835.4, 0.00314892/step Wall: 13835.4, 0.00314892/step, 0.560158 hours remaining, 240.281250 MB of memory in use. ENERGY: 4359600 3989.8719 20218.0800 14378.1116 253.2112 -203245.8663 2556.8377 0.0000 0.0000 52243.1601 -109606.5938 300.2422 -161849.7539 -109244.7116 299.4811 34.7825 56.0290 761273.7446 12.7296 12.6679 PRESSURE: 4359800 355.726 29.3695 -107.609 29.368 -14.7303 198.008 -107.608 198.008 255.227 GPRESSURE: 4359800 354.167 28.9366 -83.5951 -7.2397 98.4375 234.101 -94.648 105.264 217.377 PRESSAVG: 4359800 31.1249 -13.3962 12.3358 -13.3962 12.0148 -19.331 12.3358 -19.3311 -3.70359 GPRESSAVG: 4359800 28.9607 -12.5116 14.132 -14.1658 12.0975 -18.5454 11.3835 -21.109 -1.59398 TIMING: 4359800 CPU: 13836, 0.00314159/step Wall: 13836, 0.00314159/step, 0.558679 hours remaining, 240.281250 MB of memory in use. ENERGY: 4359800 3959.0230 20342.1469 14444.8141 249.2203 -203282.9999 2619.8288 0.0000 0.0000 52143.0892 -109524.8775 299.6671 -161667.9667 -109152.2939 299.5008 198.7409 223.3271 759886.7265 13.1454 13.1548 PRESSURE: 4360000 133.526 -3.22748 -118.828 -3.22737 84.4785 -121.491 -118.828 -121.49 20.2493 GPRESSURE: 4360000 118.106 -18.172 -73.6354 -117.826 75.1416 -0.465785 -163.809 -125.91 126.284 PRESSAVG: 4360000 43.8364 -27.0247 -2.66838 -27.0247 -12.8883 -26.0049 -2.66834 -26.0049 11.98 GPRESSAVG: 4360000 44.8117 -26.997 -4.21305 -27.1008 -12.1552 -26.0098 -3.57074 -26.1587 10.1059 TIMING: 4360000 CPU: 13836.6, 0.00317078/step Wall: 13836.6, 0.00317078/step, 0.563695 hours remaining, 240.281250 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: 4360000 4007.5559 20439.8442 14463.1395 257.3824 -203340.0164 2662.9869 0.0000 0.0000 52071.9211 -109437.1864 299.2580 -161509.1074 -109069.8038 299.2902 79.4178 106.5103 760755.6763 14.3094 14.2541 PRESSURE: 4360200 -356.33 -73.5174 -90.4655 -73.5169 -220.792 19.7149 -90.466 19.7149 22.7589 GPRESSURE: 4360200 -210.164 -116.397 -8.633 33.8142 -212.96 79.4891 -88.0343 -78.6424 -25.9056 PRESSAVG: 4360200 -5.42435 -76.2611 -40.8756 -76.2611 10.7653 -45.0613 -40.8756 -45.0613 7.98346 GPRESSAVG: 4360200 -4.70557 -76.0922 -38.7313 -74.3815 10.5656 -44.5549 -41.2072 -44.8529 7.73626 TIMING: 4360200 CPU: 13837.3, 0.00314707/step Wall: 13837.3, 0.00314707/step, 0.559304 hours remaining, 240.281250 MB of memory in use. ENERGY: 4360200 3979.8275 20524.7461 14470.6264 250.1204 -203617.1415 2743.9120 0.0000 0.0000 51955.6495 -109692.2595 298.5898 -161647.9090 -109326.6361 299.4648 -184.7875 -149.6765 759772.4075 4.4415 4.5321 LDB: ============= START OF LOAD BALANCING ============== 13849.7 LDB: ============== END OF LOAD BALANCING =============== 13849.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13849.7 LDB: ============= START OF LOAD BALANCING ============== 13850 LDB: Largest compute 7078 load 0.036523 is 18.7% of average load 0.195456 LDB: Average compute 0.004395 is 2.2% of average load 0.195456 LDB: TIME 13850 LOAD: AVG 0.195456 MAX 0.214332 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.316 MB LDB: TIME 13850 LOAD: AVG 0.195456 MAX 0.214332 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.316 MB LDB: TIME 13850 LOAD: AVG 0.195456 MAX 0.214332 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.316 MB LDB: ============== END OF LOAD BALANCING =============== 13850 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13850 PRESSURE: 4360400 22.6949 41.9189 31.4603 41.9189 -250.94 65.666 31.4599 65.6653 -182.021 GPRESSURE: 4360400 8.57083 -23.9943 20.1154 77.5483 -176.935 139.661 -46.121 105.828 -160.21 PRESSAVG: 4360400 -33.202 -25.58 2.07079 -25.5799 21.4267 13.2291 2.07078 13.2291 -12.861 GPRESSAVG: 4360400 -32.7324 -24.5677 -0.359231 -27.3578 20.9443 12.5973 5.55796 14.4065 -12.7655 TIMING: 4360400 CPU: 13837.9, 0.00322178/step Wall: 13837.9, 0.00322178/step, 0.572403 hours remaining, 239.894531 MB of memory in use. ENERGY: 4360400 3951.7632 20531.1488 14471.9212 247.0144 -203510.8202 2425.3841 0.0000 0.0000 52087.7272 -109795.8614 299.3489 -161883.5886 -109435.9171 298.8034 -136.7554 -109.5248 759833.5083 -8.2121 -8.1845 PRESSURE: 4360600 -218.351 -68.9928 -132.014 -68.9926 130.609 -318.101 -132.014 -318.101 35.9113 GPRESSURE: 4360600 -190.204 11.9815 -146.608 -107.525 241.337 -308.835 -129.822 -259.763 -7.64081 PRESSAVG: 4360600 -2.67569 0.394164 -48.385 0.394192 54.754 14.7287 -48.385 14.7287 -0.232016 GPRESSAVG: 4360600 -3.47058 0.914508 -47.5043 -0.926433 56.1868 14.0639 -51.9201 13.091 -0.511284 TIMING: 4360600 CPU: 13838.5, 0.00316802/step Wall: 13838.5, 0.00316802/step, 0.562675 hours remaining, 239.894531 MB of memory in use. ENERGY: 4360600 3931.9629 20701.8566 14445.1986 247.6007 -203505.0858 2411.8278 0.0000 0.0000 51828.2635 -109938.3757 297.8577 -161766.6391 -109584.2117 298.2333 -17.2766 14.4972 760140.9053 17.2821 17.4017 PRESSURE: 4360800 -105.725 -144.051 -22.0144 -144.051 103.72 103.008 -22.0143 103.008 91.0378 GPRESSURE: 4360800 -32.6814 -29.345 94.9568 -96.2299 162.52 -17.0751 89.878 112.934 32.2226 PRESSAVG: 4360800 -68.1811 4.53407 29.2407 4.53414 20.0263 33.5054 29.2407 33.5054 8.08354 GPRESSAVG: 4360800 -67.7583 2.45298 29.8965 5.25981 19.6571 33.9358 32.5218 32.1865 8.24358 TIMING: 4360800 CPU: 13839.2, 0.0031874/step Wall: 13839.2, 0.0031874/step, 0.565941 hours remaining, 239.894531 MB of memory in use. ENERGY: 4360800 3919.6960 20252.5979 14430.3070 242.1050 -203605.6855 2579.8185 0.0000 0.0000 52235.3349 -109945.8262 300.1972 -162181.1611 -109573.2695 298.5509 29.6774 54.0203 760522.8736 -13.3571 -13.2859 PRESSURE: 4361000 -91.6278 -8.70601 -177.28 -8.70538 -253.143 -110.499 -177.28 -110.499 -89.0549 GPRESSURE: 4361000 -156.614 -43.2918 -173.906 -28.9575 -140.524 -60.607 -250.781 -91.2604 -40.018 PRESSAVG: 4361000 -15.1185 -0.727509 -8.12714 -0.727506 4.03466 59.2859 -8.12719 59.2859 -7.87717 GPRESSAVG: 4361000 -15.0204 0.0247734 -8.5342 1.78349 4.07301 57.7464 -9.46034 62.233 -7.83884 TIMING: 4361000 CPU: 13839.8, 0.0031871/step Wall: 13839.8, 0.0031871/step, 0.56571 hours remaining, 239.894531 MB of memory in use. ENERGY: 4361000 3930.8946 20536.4704 14461.6691 242.6314 -203358.0204 2266.2379 0.0000 0.0000 51956.1941 -109963.9230 298.5930 -161920.1171 -109590.7556 298.5917 -144.6085 -112.3855 759986.1155 -6.3203 -6.2621 PRESSURE: 4361200 -148.734 33.0074 -86.0506 33.0073 -244.539 221.475 -86.0507 221.474 -227.356 GPRESSURE: 4361200 -116.334 84.7705 -65.4728 -47.0385 -280.191 245.365 -7.04513 184.858 -137.861 PRESSAVG: 4361200 -77.8471 -16.1021 -28.0404 -16.1022 74.8086 37.0321 -28.0403 37.0321 -0.0112255 GPRESSAVG: 4361200 -77.9379 -14.812 -27.1072 -17.7404 73.5161 37.5591 -28.8673 36.8696 1.18673 TIMING: 4361200 CPU: 13840.4, 0.00316646/step Wall: 13840.4, 0.00316646/step, 0.561871 hours remaining, 239.894531 MB of memory in use. ENERGY: 4361200 3947.7697 20483.5379 14435.1276 275.1677 -203553.4741 2462.9281 0.0000 0.0000 51783.8063 -110165.1368 297.6022 -161948.9431 -109813.2082 298.3029 -206.8765 -178.1288 759874.2583 -1.0166 -1.0783 PRESSURE: 4361400 -294.929 45.7318 333.754 45.7318 -185.703 -163.707 333.753 -163.707 -135.505 GPRESSURE: 4361400 -236.057 5.78928 264.542 91.9412 -99.907 -268.813 303.018 -50.509 -225.419 PRESSAVG: 4361400 -9.88415 39.777 16.2224 39.7769 50.8216 32.9121 16.2224 32.9121 -27.4326 GPRESSAVG: 4361400 -10.8588 37.6059 15.4863 40.239 52.3394 33.7067 18.5261 29.9887 -28.2469 TIMING: 4361400 CPU: 13841.1, 0.00314933/step Wall: 13841.1, 0.00314933/step, 0.558656 hours remaining, 239.894531 MB of memory in use. ENERGY: 4361400 3957.4205 20459.0677 14526.1567 236.8290 -203558.1374 2249.7359 0.0000 0.0000 51945.2050 -110183.7226 298.5298 -162128.9275 -109823.1569 297.9761 -205.3793 -187.1276 760404.0481 4.5016 4.4112 PRESSURE: 4361600 71.5697 -135.646 109.378 -135.645 -182.774 26.7023 109.378 26.7035 100.465 GPRESSURE: 4361600 126.955 -148.447 83.2038 -69.0558 -185.178 36.5321 15.3468 -92.6065 153.214 PRESSAVG: 4361600 -14.4709 -12.1777 -15.3868 -12.1777 33.7003 -21.5361 -15.3868 -21.536 -21.9117 GPRESSAVG: 4361600 -13.2732 -10.6375 -13.5212 -13.4348 33.1822 -20.6191 -18.3552 -20.3351 -22.1529 TIMING: 4361600 CPU: 13841.7, 0.00318697/step Wall: 13841.7, 0.00318697/step, 0.565156 hours remaining, 239.894531 MB of memory in use. ENERGY: 4361600 3978.0155 20356.2520 14436.9283 228.6064 -203624.5437 2458.7712 0.0000 0.0000 52152.9178 -110013.0526 299.7235 -162165.9704 -109646.3314 298.8771 -3.5798 31.6638 760074.5524 -0.8941 -0.7480 PRESSURE: 4361800 -3.373 -74.276 -3.61763 -74.2758 291.028 -176.076 -3.61863 -176.077 291.576 GPRESSURE: 4361800 143.469 -66.5404 -24.9372 -84.889 294.258 -114.31 -34.2542 -226.87 225.743 PRESSAVG: 4361800 -2.76123 -3.25042 14.9807 -3.25041 -23.4627 -30.4648 14.9807 -30.4648 6.12236 GPRESSAVG: 4361800 -3.44095 -2.54556 12.9662 -2.90987 -22.7635 -32.1418 15.5505 -30.1 6.21604 TIMING: 4361800 CPU: 13842.3, 0.00315136/step Wall: 13842.3, 0.00315136/step, 0.558666 hours remaining, 239.894531 MB of memory in use. ENERGY: 4361800 3924.6972 20376.6843 14413.8888 283.0331 -203640.8197 2645.5860 0.0000 0.0000 52070.1986 -109926.7316 299.2481 -161996.9302 -109558.0160 298.1603 193.0772 221.1567 759351.9375 -6.7005 -6.6628 PRESSURE: 4362000 61.8689 123.651 -23.9669 123.651 -111.062 -87.1023 -23.9668 -87.1017 -205.984 GPRESSURE: 4362000 81.4372 38.6542 -1.31463 86.148 -67.4408 -177.418 -202.167 -0.18016 -198.876 PRESSAVG: 4362000 -13.9801 -44.0048 18.9836 -44.0048 29.4926 9.4989 18.9835 9.49897 7.54568 GPRESSAVG: 4362000 -14.0925 -44.5304 18.941 -43.5127 28.9613 9.16713 19.5778 9.6755 8.27564 TIMING: 4362000 CPU: 13843, 0.00315903/step Wall: 13843, 0.00315903/step, 0.559851 hours remaining, 239.894531 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: 4362000 3969.3625 20673.6562 14519.1086 233.4893 -203397.2783 2371.6905 0.0000 0.0000 51924.6947 -109705.2765 298.4119 -161629.9713 -109342.2216 298.8632 -85.0590 -61.6267 761293.0219 7.6860 7.7148 PRESSURE: 4362200 -127.507 -71.8221 73.4255 -71.8234 -154.768 -119.492 73.4263 -119.49 -70.0173 GPRESSURE: 4362200 -102.734 -46.2701 25.53 -52.4163 -62.7978 -40.2435 148.884 0.278368 -109.506 PRESSAVG: 4362200 23.8302 0.873002 -9.44561 0.873012 -4.51974 11.4758 -9.44562 11.4759 9.33649 GPRESSAVG: 4362200 24.3341 1.24233 -8.48355 -0.919251 -4.77996 12.5153 -8.92162 11.1291 8.71042 TIMING: 4362200 CPU: 13843.6, 0.00315083/step Wall: 13843.6, 0.00315083/step, 0.558221 hours remaining, 239.894531 MB of memory in use. ENERGY: 4362200 4148.5759 20617.5322 14499.8699 226.6806 -203627.2954 2615.5858 0.0000 0.0000 51885.0521 -109633.9989 298.1841 -161519.0510 -109278.5815 299.2919 -117.4311 -91.6793 760684.7401 9.5490 9.4215 PRESSURE: 4362400 -333.433 -286.311 237.459 -286.311 84.4686 -98.3627 237.459 -98.3633 -369.674 GPRESSURE: 4362400 -252.741 -223.199 196.359 -134.443 12.5323 -105.78 241.034 -179.431 -316.477 PRESSAVG: 4362400 16.6583 32.9057 4.70918 32.9058 -12.7569 -18.1726 4.70923 -18.1725 8.08523 GPRESSAVG: 4362400 17.0069 33.0011 3.77175 33.6223 -13.7524 -18.6751 4.19617 -18.6829 8.73243 TIMING: 4362400 CPU: 13844.2, 0.00317106/step Wall: 13844.2, 0.00317106/step, 0.56163 hours remaining, 239.894531 MB of memory in use. ENERGY: 4362400 4072.0487 20576.8866 14493.5032 231.1049 -203536.6242 2529.9770 0.0000 0.0000 52071.6742 -109561.4296 299.2566 -161633.1038 -109205.3626 299.3669 -206.2126 -185.5619 761256.5902 3.9955 3.9956 PRESSURE: 4362600 -65.6793 -49.6482 -179.943 -49.6482 -238.604 179.608 -179.944 179.61 -344.77 GPRESSURE: 4362600 -12.3504 -0.0154575 -142.189 81.9872 -240.257 244.58 -122.71 59.3259 -302.732 PRESSAVG: 4362600 53.5377 -5.88729 -6.28707 -5.88732 0.391061 26.9816 -6.28707 26.9816 -2.63809 GPRESSAVG: 4362600 53.1511 -5.66348 -6.37743 -5.45709 1.01275 27.7391 -5.42229 27.5099 -2.42828 TIMING: 4362600 CPU: 13844.9, 0.00315758/step Wall: 13844.9, 0.00315758/step, 0.559068 hours remaining, 239.894531 MB of memory in use. ENERGY: 4362600 4014.6080 20586.4488 14533.1582 269.6500 -202942.9934 2243.6813 0.0000 0.0000 51796.1537 -109499.2934 297.6732 -161295.4471 -109138.0964 298.8739 -216.3513 -185.1130 762274.4984 17.0969 17.2452 PRESSURE: 4362800 -6.15135 51.4692 75.8507 51.4684 -242.815 129.629 75.8506 129.629 -93.6199 GPRESSURE: 4362800 47.8765 133.659 42.8562 3.72786 -287.895 112.617 -3.90218 142.748 3.46617 PRESSAVG: 4362800 -12.0235 49.2881 -34.4327 49.2881 -5.42281 32.4402 -34.4327 32.4402 14.3381 GPRESSAVG: 4362800 -11.9284 48.9793 -32.9212 47.2406 -5.00303 31.4147 -34.7723 31.1389 13.4281 TIMING: 4362800 CPU: 13845.5, 0.00314192/step Wall: 13845.5, 0.00314192/step, 0.55612 hours remaining, 239.894531 MB of memory in use. ENERGY: 4362800 3952.6025 20565.0990 14479.7441 269.1861 -203370.4162 2448.0912 0.0000 0.0000 52183.1454 -109472.5479 299.8973 -161655.6933 -109100.8144 299.3702 -114.1954 -78.8507 762229.7278 -1.0361 -1.1678 PRESSURE: 4363000 -132.678 -128.473 194.723 -128.473 -43.4815 173.026 194.722 173.024 49.5548 GPRESSURE: 4363000 -40.4578 -184.499 237.979 -90.8204 14.3275 111.216 245.639 229.583 -30.4647 PRESSAVG: 4363000 -25.0886 20.1772 -17.3504 20.1772 -15.9904 0.587048 -17.3504 0.587032 -14.347 GPRESSAVG: 4363000 -24.6833 18.4717 -19.0411 21.1339 -15.6424 1.7153 -18.2563 1.68628 -15.3579 TIMING: 4363000 CPU: 13846.1, 0.00314186/step Wall: 13846.1, 0.00314186/step, 0.555935 hours remaining, 239.894531 MB of memory in use. ENERGY: 4363000 4002.6394 20585.8725 14560.7304 251.6667 -203392.4113 2464.5664 0.0000 0.0000 51879.9520 -109646.9839 298.1548 -161526.9359 -109284.7369 299.2122 -42.2014 -18.8650 761637.1739 -18.4753 -18.5612 PRESSURE: 4363200 251.867 -54.2373 190.11 -54.2377 -418.454 187.459 190.11 187.459 -119.879 GPRESSURE: 4363200 108.389 -137.701 167.232 61.4695 -290.993 77.9149 155.533 14.5717 -33.4001 PRESSAVG: 4363200 -41.598 -9.8582 -25.3697 -9.85819 26.9832 -9.59188 -25.3696 -9.59187 5.67901 GPRESSAVG: 4363200 -42.3061 -9.73871 -23.3408 -8.66614 26.821 -11.4555 -25.5219 -9.03074 6.77253 TIMING: 4363200 CPU: 13846.8, 0.00315577/step Wall: 13846.8, 0.00315577/step, 0.55822 hours remaining, 239.894531 MB of memory in use. ENERGY: 4363200 4094.3645 20631.7749 14498.6135 253.1696 -203477.0714 2530.4303 0.0000 0.0000 52085.2559 -109383.4627 299.3347 -161468.7186 -109019.0752 299.3437 -95.4886 -72.0012 759593.2663 -2.9786 -2.9042 PRESSURE: 4363400 28.013 -214.32 38.7115 -214.32 130.16 -66.5102 38.7121 -66.5099 111.96 GPRESSURE: 4363400 95.6785 -93.3941 125.162 -176.602 65.9328 -63.4048 38.2684 13.6846 201.569 PRESSAVG: 4363400 -3.3182 -36.9746 26.8969 -36.9747 48.5314 -5.83071 26.8968 -5.83067 5.05065 GPRESSAVG: 4363400 -2.38579 -36.1328 25.6332 -39.4685 47.2883 -2.49464 28.3058 -7.07218 5.95993 TIMING: 4363400 CPU: 13847.4, 0.00317073/step Wall: 13847.4, 0.00317073/step, 0.56069 hours remaining, 239.894531 MB of memory in use. ENERGY: 4363400 3950.3480 20589.4006 14550.8577 240.4642 -203488.4053 2516.2466 0.0000 0.0000 52203.8079 -109437.2804 300.0160 -161641.0883 -109060.2778 299.6393 90.0443 121.0601 760164.7055 16.7546 16.9542 PRESSURE: 4363600 -254.353 -69.3466 -35.7656 -69.3468 138.371 190.441 -35.7664 190.44 -43.0623 GPRESSURE: 4363600 -269.828 -80.1158 -96.7039 -75.4768 147.554 150.46 -191.019 192.246 66.3951 PRESSAVG: 4363600 -24.0919 -77.1519 -19.9643 -77.1519 -20.0167 -29.1587 -19.9642 -29.1588 19.2092 GPRESSAVG: 4363600 -23.9782 -77.3308 -20.0301 -74.9043 -18.2967 -31.6028 -22.0688 -27.3994 17.9977 TIMING: 4363600 CPU: 13848, 0.0031408/step Wall: 13848, 0.0031408/step, 0.555223 hours remaining, 239.894531 MB of memory in use. ENERGY: 4363600 3957.4486 20538.5996 14496.0270 239.4932 -203090.7989 2471.7341 0.0000 0.0000 51872.1854 -109515.3110 298.1102 -161387.4965 -109148.1881 299.2571 -53.0146 -18.6263 760442.7652 -8.2998 -8.0924 PRESSURE: 4363800 -285.956 -161.528 -84.1683 -161.528 -109.044 161.011 -84.1675 161.01 -319.86 GPRESSURE: 4363800 -327.353 -241.756 -90.3188 -186.018 -22.1631 202.414 29.3892 214.456 -288.257 PRESSAVG: 4363800 -28.6985 11.1072 -19.1685 11.1072 7.37482 64.2069 -19.1685 64.2068 10.1083 GPRESSAVG: 4363800 -28.4302 11.5731 -20.9864 9.89422 7.08967 64.4805 -18.8821 63.5147 10.4918 TIMING: 4363800 CPU: 13848.6, 0.003124/step Wall: 13848.6, 0.003124/step, 0.55208 hours remaining, 239.894531 MB of memory in use. ENERGY: 4363800 4074.5882 20558.2835 14492.6369 253.2409 -203842.6128 2649.2600 0.0000 0.0000 52329.5918 -109485.0115 300.7389 -161814.6033 -109130.6442 299.5035 -238.2865 -212.5908 760689.8692 -3.7385 -3.6162 PRESSURE: 4364000 246.538 324.359 83.5069 324.359 40.6126 -16.2867 83.5064 -16.2858 126.775 GPRESSURE: 4364000 218.308 262.265 133.849 461.349 136.553 -56.7157 127.887 -64.0933 168.618 PRESSAVG: 4364000 -30.599 7.23503 -10.7835 7.23506 2.9785 -29.991 -10.7835 -29.991 -1.09692 GPRESSAVG: 4364000 -32.7344 8.10557 -8.9193 8.47992 3.60394 -30.4323 -9.05746 -29.7418 0.403888 TIMING: 4364000 CPU: 13849.3, 0.00313116/step Wall: 13849.3, 0.00313116/step, 0.553171 hours remaining, 239.894531 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: 4364000 3995.3083 20562.4897 14427.6991 242.6306 -203713.0924 3042.9364 0.0000 0.0000 52021.0253 -109421.0028 298.9655 -161442.0282 -109062.2524 299.5677 137.9754 174.4930 760015.5898 -9.5725 -9.5755 PRESSURE: 4364200 27.227 -30.2868 232.05 -30.2854 286.045 137.222 232.05 137.223 356.598 GPRESSURE: 4364200 163.267 -81.6288 220.039 -52.3172 248.412 -46.5462 92.0584 264.304 324.178 PRESSAVG: 4364200 -31.946 -21.3168 -13.3719 -21.3168 5.16683 -51.3881 -13.3719 -51.3881 -2.78954 GPRESSAVG: 4364200 -31.4317 -22.6869 -13.1737 -22.7135 5.0394 -52.1983 -13.5828 -49.4275 -4.23984 TIMING: 4364200 CPU: 13849.9, 0.00314176/step Wall: 13849.9, 0.00314176/step, 0.554869 hours remaining, 239.894531 MB of memory in use. ENERGY: 4364200 4049.5505 20638.0216 14488.8382 246.7396 -203499.6413 2642.1206 0.0000 0.0000 52055.4419 -109378.9289 299.1633 -161434.3708 -109008.7991 299.3556 223.2902 245.2858 760677.9988 -9.8562 -10.2107 LDB: ============= START OF LOAD BALANCING ============== 13862.3 LDB: ============== END OF LOAD BALANCING =============== 13862.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13862.3 LDB: ============= START OF LOAD BALANCING ============== 13862.7 LDB: Largest compute 7031 load 0.035687 is 18.3% of average load 0.195451 LDB: Average compute 0.004406 is 2.3% of average load 0.195451 LDB: TIME 13862.7 LOAD: AVG 0.195451 MAX 0.211988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 13862.7 LOAD: AVG 0.195451 MAX 0.211988 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: TIME 13862.7 LOAD: AVG 0.195451 MAX 0.211988 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.324 MB LDB: ============== END OF LOAD BALANCING =============== 13862.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13862.7 PRESSURE: 4364400 -150.951 67.8533 -199.981 67.8535 243.335 -36.8564 -199.981 -36.8566 -306.2 GPRESSURE: 4364400 -84.818 117.979 -113.594 78.284 242.053 -94.4333 -69.6061 -50.9005 -274.417 PRESSAVG: 4364400 -58.0883 -14.9572 -40.9873 -14.9571 20.144 2.75775 -40.9873 2.75772 -2.8254 GPRESSAVG: 4364400 -57.4769 -13.2275 -41.8621 -13.7891 19.5978 3.02834 -40.128 1.97977 -3.16269 TIMING: 4364400 CPU: 13850.5, 0.00322091/step Wall: 13850.5, 0.00322091/step, 0.568669 hours remaining, 239.527344 MB of memory in use. ENERGY: 4364400 3957.3846 20572.7542 14506.1746 240.2764 -203687.1801 2690.7526 0.0000 0.0000 52114.0498 -109605.7879 299.5002 -161719.8377 -109243.7233 299.3863 -71.2722 -39.0606 762001.6707 -13.5899 -13.6806 PRESSURE: 4364600 -287.053 165.548 384.038 165.548 155.771 83.788 384.037 83.7882 443.243 GPRESSURE: 4364600 -186.437 168.82 326.784 110.008 166.592 6.6489 316.111 50.9001 409.112 PRESSAVG: 4364600 -28.8738 32.4284 38.2398 32.4283 32.2923 -26.0501 38.2398 -26.0502 -11.5715 GPRESSAVG: 4364600 -29.7968 30.3364 39.3935 31.284 32.2248 -25.2738 36.521 -26.5352 -10.319 TIMING: 4364600 CPU: 13851.2, 0.00316617/step Wall: 13851.2, 0.00316617/step, 0.558829 hours remaining, 239.527344 MB of memory in use. ENERGY: 4364600 3950.0931 20591.8815 14496.5956 247.4576 -203782.5098 2742.9302 0.0000 0.0000 52158.6210 -109594.9310 299.7563 -161753.5520 -109230.6298 299.2315 103.9871 129.7558 760476.1206 -2.7176 -2.6304 PRESSURE: 4364800 82.3929 127.787 123.423 127.787 12.898 -207.343 123.423 -207.344 -21.0575 GPRESSURE: 4364800 152.696 77.1708 134.538 120.497 25.2431 -91.2307 32.7169 -161.533 -13.1654 PRESSAVG: 4364800 9.29373 -22.3629 73.4043 -22.363 41.7685 -38.0948 73.4043 -38.0948 1.93348 GPRESSAVG: 4364800 10.4204 -21.5622 75.2155 -22.015 41.7692 -37.078 71.5002 -37.9186 0.698648 TIMING: 4364800 CPU: 13851.8, 0.00314178/step Wall: 13851.8, 0.00314178/step, 0.55435 hours remaining, 239.527344 MB of memory in use. ENERGY: 4364800 3983.5653 20564.3995 14493.0726 252.8338 -203592.6352 2704.2129 0.0000 0.0000 51829.3184 -109765.2327 297.8638 -161594.5511 -109403.5277 298.6393 24.7445 54.9247 759464.0794 17.6652 17.6294 PRESSURE: 4365000 4.14524 -66.0699 -205.625 -66.0699 -104.914 -10.6801 -205.625 -10.6793 258.226 GPRESSURE: 4365000 23.41 -93.0255 -202.211 -92.8576 -61.919 -67.4171 -114.34 -40.7529 272.026 PRESSAVG: 4365000 47.0079 -48.4606 34.0327 -48.4606 3.06609 2.91157 34.0326 2.91159 6.56405 GPRESSAVG: 4365000 46.7268 -48.281 33.099 -47.793 3.30673 1.61694 35.3994 3.25138 6.69658 TIMING: 4365000 CPU: 13852.4, 0.0031509/step Wall: 13852.4, 0.0031509/step, 0.555783 hours remaining, 239.527344 MB of memory in use. ENERGY: 4365000 3999.6956 20400.3881 14448.1107 239.7147 -203769.3640 2804.2160 0.0000 0.0000 51937.3357 -109939.9032 298.4846 -161877.2389 -109571.7218 298.4617 52.4856 77.8389 759692.4065 18.8793 18.9100 PRESSURE: 4365200 -31.79 -129.975 57.4348 -129.974 -67.3769 -66.7536 57.4356 -66.7533 225.99 GPRESSURE: 4365200 102.817 -113.044 64.9243 -252.423 8.26925 -82.2249 96.0083 -78.6743 105.399 PRESSAVG: 4365200 12.0443 38.0987 -30.1184 38.0987 -15.6333 -20.148 -30.1184 -20.1479 9.8777 GPRESSAVG: 4365200 11.5011 37.9739 -30.7379 36.9818 -15.4724 -20.3506 -29.5758 -20.4739 10.6125 TIMING: 4365200 CPU: 13853.1, 0.00314613/step Wall: 13853.1, 0.00314613/step, 0.554768 hours remaining, 239.527344 MB of memory in use. ENERGY: 4365200 3954.3529 20464.5997 14453.2691 261.5689 -203828.8898 2936.6924 0.0000 0.0000 51972.6683 -109785.7387 298.6876 -161758.4070 -109413.2919 298.5967 42.2743 72.1617 761923.4042 2.0962 2.2138 PRESSURE: 4365400 -318.949 64.8286 33.8513 64.829 -449.565 151.171 33.8523 151.17 19.0994 GPRESSURE: 4365400 -338.958 29.6679 -37.3533 109.913 -382.818 51.4213 -2.17444 213.118 53.7269 PRESSAVG: 4365400 -30.9075 0.0363697 17.1415 0.0363499 41.4516 18.6842 17.1415 18.6841 -6.96504 GPRESSAVG: 4365400 -31.0037 0.489797 17.3324 3.23099 41.7509 19.9244 16.9753 19.0518 -7.85907 TIMING: 4365400 CPU: 13853.7, 0.00314531/step Wall: 13853.7, 0.00314531/step, 0.554449 hours remaining, 239.527344 MB of memory in use. ENERGY: 4365400 3990.9883 20446.5480 14509.0723 247.3954 -203640.4268 2819.4745 0.0000 0.0000 51974.3958 -109652.5526 298.6976 -161626.9483 -109283.3178 299.1200 -249.8051 -222.6830 762873.5350 1.1930 0.9627 PRESSURE: 4365600 -245.157 -19.4615 121.343 -19.4619 -96.0643 153.352 121.343 153.351 86.9755 GPRESSURE: 4365600 -145.337 -8.93871 61.1606 -125.897 -31.2325 101.357 81.0734 53.8056 9.17476 PRESSAVG: 4365600 10.698 8.01389 -24.3741 8.01394 62.0043 -4.78146 -24.3741 -4.78151 -2.10131 GPRESSAVG: 4365600 11.2523 8.1557 -24.2971 7.02971 62.2873 -6.2899 -25.3844 -5.16829 -2.1868 TIMING: 4365600 CPU: 13854.3, 0.00316124/step Wall: 13854.3, 0.00316124/step, 0.55708 hours remaining, 239.527344 MB of memory in use. ENERGY: 4365600 4044.4899 20630.0282 14457.7649 234.7313 -203687.5222 2612.7542 0.0000 0.0000 52198.0934 -109509.6604 299.9832 -161707.7538 -109135.2413 299.2998 -84.7484 -55.7984 761859.3768 23.5337 23.7843 PRESSURE: 4365800 -33.3238 44.003 55.2146 44.0033 -348.514 3.24707 55.2137 3.24758 272.895 GPRESSURE: 4365800 97.4897 -144.213 146.08 77.4182 -364.949 -44.7086 86.7293 48.2862 235.513 PRESSAVG: 4365800 12.0985 -21.0849 41.2078 -21.0849 -37.0157 -6.29012 41.2078 -6.29013 14.2128 GPRESSAVG: 4365800 10.5185 -20.3263 41.0329 -23.2861 -36.708 -5.30359 40.9839 -5.87248 15.0722 TIMING: 4365800 CPU: 13855, 0.00316827/step Wall: 13855, 0.00316827/step, 0.558143 hours remaining, 239.527344 MB of memory in use. ENERGY: 4365800 4007.6140 20506.7302 14476.1910 244.8165 -203905.5301 2802.5994 0.0000 0.0000 52209.4958 -109658.0831 300.0487 -161867.5790 -109291.1133 299.8231 -36.3145 -10.6487 760780.7571 -3.5682 -3.7058 PRESSURE: 4366000 -270.997 -104.313 -4.66011 -104.313 -72.7031 -58.2157 -4.66015 -58.2163 69.6192 GPRESSURE: 4366000 -198.154 -134.418 62.3251 -132.787 -78.5051 -58.1212 28.8952 -189.083 80.7097 PRESSAVG: 4366000 27.7942 17.8289 50.8812 17.829 -34.6811 -4.21015 50.8812 -4.21016 11.8218 GPRESSAVG: 4366000 29.0574 16.9267 52.2583 20.1616 -34.6931 -4.31624 51.678 -4.62278 10.9141 TIMING: 4366000 CPU: 13855.6, 0.00314984/step Wall: 13855.6, 0.00314984/step, 0.554723 hours remaining, 239.527344 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: 4366000 4011.5369 20617.9069 14481.2960 233.3427 -204076.3389 2950.6554 0.0000 0.0000 52067.1952 -109714.4058 299.2309 -161781.6010 -109347.6705 299.3816 -91.3605 -65.3166 762202.5449 1.6450 1.7595 PRESSURE: 4366200 -241.922 -33.4684 214.31 -33.4687 7.49236 -34.4824 214.311 -34.4817 206.739 GPRESSURE: 4366200 -236.272 -32.102 178.164 -41.4666 40.8539 -67.2074 357.588 -156.322 258.304 PRESSAVG: 4366200 3.25388 -18.6478 29.5463 -18.6478 9.15739 17.0872 29.5463 17.0871 7.5132 GPRESSAVG: 4366200 3.62059 -19.6481 29.7606 -18.6531 8.18739 17.0461 29.4223 15.7091 7.89137 TIMING: 4366200 CPU: 13856.2, 0.00315495/step Wall: 13856.2, 0.00315495/step, 0.555446 hours remaining, 239.527344 MB of memory in use. ENERGY: 4366200 3989.0069 20501.7236 14497.0140 244.6333 -203549.5973 2657.9310 0.0000 0.0000 52044.7348 -109614.5537 299.1018 -161659.2885 -109239.2695 299.1556 -9.2303 20.9620 763557.7295 6.6415 6.5665 PRESSURE: 4366400 165.567 26.7809 -146.788 26.7811 -262.229 4.77326 -146.788 4.77347 -17.1302 GPRESSURE: 4366400 180.929 61.6219 -153.298 -52.2986 -310.714 -9.25447 -218.024 133.647 102.794 PRESSAVG: 4366400 57.1765 36.4484 -9.98692 36.4484 -36.6475 -13.0418 -9.98695 -13.0418 -5.41533 GPRESSAVG: 4366400 56.0831 35.8815 -12.1855 35.3456 -36.7528 -13.3975 -9.07817 -11.2599 -4.35139 TIMING: 4366400 CPU: 13856.9, 0.00317544/step Wall: 13856.9, 0.00317544/step, 0.558878 hours remaining, 239.527344 MB of memory in use. ENERGY: 4366400 4015.8050 20516.3943 14392.3610 243.9456 -203460.0665 2673.4550 0.0000 0.0000 52229.6344 -109388.4712 300.1644 -161618.1055 -109026.9388 298.9723 -37.9307 -8.9969 762607.6519 5.0379 4.9930 PRESSURE: 4366600 221.902 -314.837 -203.494 -314.838 46.802 -100.627 -203.495 -100.628 245.63 GPRESSURE: 4366600 251.755 -404.158 -166.767 -245.179 165.493 -95.3936 -99.8456 -87.6346 196.923 PRESSAVG: 4366600 63.4306 -45.857 -8.38194 -45.857 -69.2974 -5.4295 -8.38196 -5.42948 -1.36801 GPRESSAVG: 4366600 62.0455 -44.0552 -7.21079 -44.7737 -69.3037 -4.25552 -10.5566 -6.44171 -0.555485 TIMING: 4366600 CPU: 13857.5, 0.00316347/step Wall: 13857.5, 0.00316347/step, 0.556596 hours remaining, 239.527344 MB of memory in use. ENERGY: 4366600 4000.9153 20675.1519 14420.8632 243.3793 -203694.8690 2636.4283 0.0000 0.0000 52286.2537 -109431.8773 300.4898 -161718.1310 -109070.1035 299.5750 171.4448 204.7235 760981.5035 -2.4116 -2.6046 PRESSURE: 4366800 -99.2302 82.1649 202.329 82.1648 -232.426 94.0011 202.329 94.0003 -45.4925 GPRESSURE: 4366800 -23.541 93.3967 223.517 137.227 -172.068 69.5626 181.562 -41.7137 -93.304 PRESSAVG: 4366800 -29.0859 -48.953 12.8477 -48.953 28.2022 -45.4433 12.8478 -45.4434 -12.9746 GPRESSAVG: 4366800 -27.4205 -49.012 12.4527 -46.9613 27.8342 -47.5218 13.0248 -43.2069 -14.4535 TIMING: 4366800 CPU: 13858.1, 0.00316424/step Wall: 13858.1, 0.00316424/step, 0.556555 hours remaining, 239.527344 MB of memory in use. ENERGY: 4366800 4081.9103 20610.7031 14453.4979 259.1711 -203510.1182 2549.9297 0.0000 0.0000 51844.4009 -109710.5051 297.9505 -161554.9061 -109350.7227 299.3807 -125.7164 -96.3044 761797.1251 -4.6195 -4.6799 PRESSURE: 4367000 -84.0246 -182.069 -5.41573 -182.07 194.231 145.298 -5.41553 145.299 165.481 GPRESSURE: 4367000 -79.7799 -246.277 -52.2761 -289.605 218.738 164.869 60.6455 73.5742 217.909 PRESSAVG: 4367000 -6.17986 -17.3708 -7.08263 -17.3709 65.0567 23.5865 -7.08267 23.5865 8.22572 GPRESSAVG: 4367000 -7.17787 -17.148 -7.1373 -19.5898 64.6678 22.9668 -5.9944 22.8801 9.94733 TIMING: 4367000 CPU: 13858.7, 0.00315718/step Wall: 13858.7, 0.00315718/step, 0.555138 hours remaining, 239.527344 MB of memory in use. ENERGY: 4367000 3941.5197 20618.7277 14444.3226 262.4796 -203678.6752 2697.1217 0.0000 0.0000 52096.1120 -109618.3917 299.3971 -161714.5038 -109252.2257 299.1177 91.8958 118.9556 761113.5163 22.3675 22.4791 PRESSURE: 4367200 -165.075 -119.085 -17.8161 -119.085 -211.996 -70.2752 -17.8161 -70.2758 -124.371 GPRESSURE: 4367200 -157.687 -188.757 32.253 -104.832 -219.156 -140.358 -67.8228 208.45 -75.1105 PRESSAVG: 4367200 14.3207 -54.3297 7.7215 -54.3297 31.5611 1.01903 7.72149 1.01904 -7.71945 GPRESSAVG: 4367200 14.3286 -55.096 8.88921 -54.8107 33.3382 2.39838 5.11046 0.493386 -9.71989 TIMING: 4367200 CPU: 13859.4, 0.00315163/step Wall: 13859.4, 0.00315163/step, 0.553986 hours remaining, 239.527344 MB of memory in use. ENERGY: 4367200 3977.6763 20547.1992 14443.9707 247.6820 -203480.0252 2496.4673 0.0000 0.0000 52011.4082 -109755.6216 298.9103 -161767.0297 -109396.3868 298.9686 -167.1473 -150.6509 761834.0080 12.7208 12.6490 PRESSURE: 4367400 -40.4301 -128.437 51.1612 -128.437 116.826 19.7503 51.1601 19.75 299.932 GPRESSURE: 4367400 -5.27572 -184.716 233.83 -86.6585 119.492 5.04903 75.1355 19.2834 316.903 PRESSAVG: 4367400 -49.3917 -58.2937 24.2644 -58.2936 45.7611 -16.6341 24.2643 -16.6342 -16.1092 GPRESSAVG: 4367400 -49.4048 -56.954 23.965 -57.3054 44.9036 -16.7482 27.6951 -15.9819 -15.3576 TIMING: 4367400 CPU: 13860, 0.00316517/step Wall: 13860, 0.00316517/step, 0.55619 hours remaining, 239.527344 MB of memory in use. ENERGY: 4367400 3901.6310 20518.9389 14485.8298 253.4193 -203595.6736 2885.9107 0.0000 0.0000 51807.9242 -109742.0197 297.7409 -161549.9440 -109375.4432 298.6821 125.4424 143.7064 759960.6321 -6.5799 -6.6196 PRESSURE: 4367600 -21.3293 82.0658 18.8372 82.0659 46.9943 38.7938 18.8366 38.7923 -58.7211 GPRESSURE: 4367600 4.78639 106.314 -50.2985 -17.8637 62.3113 -6.7474 7.73242 -59.336 -8.03743 PRESSAVG: 4367600 -15.5251 -19.0429 -34.2654 -19.0428 -31.0032 36.0104 -34.2655 36.0104 6.83532 GPRESSAVG: 4367600 -15.9653 -19.1597 -36.0789 -19.5876 -30.7326 35.7091 -35.9634 35.3692 7.23172 TIMING: 4367600 CPU: 13860.6, 0.00317199/step Wall: 13860.6, 0.00317199/step, 0.557213 hours remaining, 239.527344 MB of memory in use. ENERGY: 4367600 3977.2818 20341.5144 14488.4114 241.2685 -203855.6657 2795.4971 0.0000 0.0000 52255.4643 -109756.2282 300.3129 -162011.6925 -109397.6339 298.3565 -11.0187 19.6868 760963.6941 -13.2310 -13.1554 PRESSURE: 4367800 -251.414 -180.287 -85.1658 -180.287 -0.243357 9.52808 -85.1654 9.52843 -54.9986 GPRESSURE: 4367800 -229.66 -301.201 -130.064 -208.28 32.7827 -93.2302 -122.811 -15.6649 -31.1149 PRESSAVG: 4367800 -44.4277 -72.4816 -78.5071 -72.4816 50.815 3.31505 -78.5071 3.31511 -5.34887 GPRESSAVG: 4367800 -43.132 -71.803 -77.441 -69.8645 49.6271 5.11982 -77.2348 3.00091 -5.72731 TIMING: 4367800 CPU: 13861.3, 0.00316531/step Wall: 13861.3, 0.00316531/step, 0.555863 hours remaining, 239.527344 MB of memory in use. ENERGY: 4367800 3909.5746 20530.5506 14468.8471 241.3715 -203488.8508 2476.2178 0.0000 0.0000 52022.0347 -109840.2545 298.9713 -161862.2892 -109474.3966 298.7803 -102.2187 -75.9976 761443.3544 0.3461 0.2559 PRESSURE: 4368000 86.2295 -51.4201 326.543 -51.4198 49.7639 34.8044 326.543 34.8042 -117.735 GPRESSURE: 4368000 133.246 -175.24 300.65 -56.7382 -12.3984 67.9051 364.544 -2.08172 -26.8714 PRESSAVG: 4368000 4.49511 -71.0051 32.1377 -71.0051 -44.2085 6.14957 32.1377 6.14971 6.20765 GPRESSAVG: 4368000 4.79968 -72.0895 31.7204 -71.5585 -43.2477 5.63567 32.754 5.86824 4.55805 TIMING: 4368000 CPU: 13861.9, 0.00317211/step Wall: 13861.9, 0.00317211/step, 0.556882 hours remaining, 239.527344 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: 4368000 4010.3025 20601.7962 14368.3987 236.0215 -203552.2734 2773.4248 0.0000 0.0000 52045.5195 -109516.8103 299.1063 -161562.3298 -109153.5142 299.1056 6.0862 31.3255 762099.8724 -11.1686 -11.2967 PRESSURE: 4368200 -117.738 94.8312 197.143 94.8311 -119.413 -67.2739 197.144 -67.2741 -345.698 GPRESSURE: 4368200 -40.9483 151.705 172.811 53.735 -119.548 -131.664 153.381 -47.4209 -347.864 PRESSAVG: 4368200 29.5026 -12.5057 41.4376 -12.5057 11.0205 -7.26558 41.4377 -7.26562 -5.19207 GPRESSAVG: 4368200 29.5781 -13.1828 41.8911 -12.5572 10.2046 -6.92316 39.3188 -5.23315 -4.56603 TIMING: 4368200 CPU: 13862.5, 0.00315537/step Wall: 13862.5, 0.00315537/step, 0.553767 hours remaining, 239.527344 MB of memory in use. ENERGY: 4368200 4043.4340 20698.8602 14446.8122 245.3825 -203595.4712 2502.6398 0.0000 0.0000 52218.0287 -109440.3139 300.0977 -161658.3426 -109076.1800 299.9403 -194.2830 -169.4535 762431.0005 11.7770 11.7389 LDB: ============= START OF LOAD BALANCING ============== 13875 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13875 LDB: =============== DONE WITH MIGRATION ================ 13875 LDB: ============= START OF LOAD BALANCING ============== 13875.3 LDB: Largest compute 7031 load 0.036681 is 18.8% of average load 0.195359 LDB: Average compute 0.004402 is 2.3% of average load 0.195359 LDB: TIME 13875.3 LOAD: AVG 0.195359 MAX 0.212255 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 13875.3 LOAD: AVG 0.195359 MAX 0.212255 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 13875.3 LOAD: AVG 0.195359 MAX 0.212255 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 13875.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13875.3 PRESSURE: 4368400 -200.555 -447.952 -142.617 -447.952 -89.4265 -8.38785 -142.617 -8.38703 -24.2659 GPRESSURE: 4368400 -139.376 -460.095 -167.049 -236.702 -5.22557 46.9973 -107.288 -75.6753 -96.2303 PRESSAVG: 4368400 4.64329 -37.126 78.5439 -37.126 -57.4505 -18.0133 78.5438 -18.0134 -18.9375 GPRESSAVG: 4368400 4.76069 -36.4826 78.7765 -37.4378 -57.0517 -17.4746 78.1888 -18.9879 -19.6773 TIMING: 4368400 CPU: 13863.2, 0.00322251/step Wall: 13863.2, 0.00322251/step, 0.565371 hours remaining, 240.039062 MB of memory in use. ENERGY: 4368400 3983.2040 20436.8755 14419.4385 232.0433 -203669.7887 2721.4655 0.0000 0.0000 52421.0229 -109455.7389 301.2643 -161876.7619 -109087.3919 299.9360 -104.7489 -80.2773 760955.0638 -23.9149 -23.9894 PRESSURE: 4368600 368.533 52.1565 44.1566 52.1559 3.11945 58.5167 44.1568 58.5159 418.078 GPRESSURE: 4368600 362.739 123.128 68.3579 36.5032 50.3056 66.3035 27.1488 150.652 445.206 PRESSAVG: 4368600 -6.30627 -27.1498 7.45234 -27.1497 12.9241 18.187 7.45235 18.187 -3.70366 GPRESSAVG: 4368600 -6.75536 -26.4006 8.77713 -28.5736 13.5704 17.1991 8.81676 18.4404 -4.46833 TIMING: 4368600 CPU: 13863.8, 0.00315488/step Wall: 13863.8, 0.00315488/step, 0.553332 hours remaining, 240.039062 MB of memory in use. ENERGY: 4368600 4018.6316 20781.0065 14470.3443 257.3397 -203857.8828 2796.9056 0.0000 0.0000 52131.2358 -109402.4193 299.5989 -161533.6551 -109048.9411 300.1702 263.2435 286.0835 761177.7157 0.9714 0.7822 PRESSURE: 4368800 0.224854 -9.19993 144.753 -9.2003 291.158 67.0971 144.752 67.0973 -252.876 GPRESSURE: 4368800 124.417 46.4972 162.342 -110.066 260.293 83.3999 111.529 -113.829 -255.308 PRESSAVG: 4368800 -9.03315 8.57378 14.6281 8.57377 67.1441 -18.2253 14.6282 -18.2253 6.2335 GPRESSAVG: 4368800 -8.6127 6.81431 13.3634 9.0161 66.875 -19.6027 14.7485 -17.4913 5.93065 TIMING: 4368800 CPU: 13864.5, 0.00316216/step Wall: 13864.5, 0.00316216/step, 0.554432 hours remaining, 240.039062 MB of memory in use. ENERGY: 4368800 3974.5435 20634.5772 14555.6294 224.5797 -203755.8414 2708.9980 0.0000 0.0000 51889.9363 -109767.5773 298.2122 -161657.5137 -109406.4977 299.6015 12.8357 43.1340 761176.6565 21.4482 21.3977 PRESSURE: 4369000 44.5043 -54.2069 45.6402 -54.2068 87.0398 55.364 45.6397 55.3633 -63.677 GPRESSURE: 4369000 57.1897 37.9372 -43.9789 -134.448 174.331 61.9696 207.497 -31.8655 -68.6103 PRESSAVG: 4369000 31.4994 13.8319 -2.41326 13.8319 -1.31768 -35.2381 -2.41326 -35.2381 15.5502 GPRESSAVG: 4369000 31.0832 15.1333 -1.84608 13.0317 -1.98226 -35.1688 -2.67542 -36.1471 16.3188 TIMING: 4369000 CPU: 13865.1, 0.00317337/step Wall: 13865.1, 0.00317337/step, 0.556222 hours remaining, 240.039062 MB of memory in use. ENERGY: 4369000 4042.9656 20381.2030 14522.5902 259.6591 -204072.8034 2887.4636 0.0000 0.0000 51985.0588 -109993.8631 298.7588 -161978.9219 -109628.1569 299.0178 22.6224 54.3035 759504.7132 15.2440 15.1399 PRESSURE: 4369200 -293.641 -33.6062 -18.0762 -33.6071 -304.465 -401.24 -18.0763 -401.24 -82.7391 GPRESSURE: 4369200 -166.163 -71.1341 5.62553 134.734 -327.748 -377.228 -40.3281 -368.671 -89.4667 PRESSAVG: 4369200 -13.9744 -11.3851 69.9969 -11.3851 -2.35317 -57.8182 69.997 -57.8182 17.8212 GPRESSAVG: 4369200 -14.0526 -10.7607 69.4471 -9.12595 -2.15998 -57.4202 69.8802 -55.9132 17.9606 TIMING: 4369200 CPU: 13865.7, 0.00317145/step Wall: 13865.7, 0.00317145/step, 0.555709 hours remaining, 240.039062 MB of memory in use. ENERGY: 4369200 4021.2845 20490.9398 14512.4316 257.9437 -203935.4863 2695.2634 0.0000 0.0000 51859.0730 -110098.5503 298.0348 -161957.6233 -109737.2988 298.1353 -226.9486 -194.4594 760807.2897 0.4979 0.5827 PRESSURE: 4369400 -539.371 53.0829 1.30234 53.0837 -44.8899 120.835 1.30279 120.834 -49.8033 GPRESSURE: 4369400 -437.168 -39.3728 11.2304 -3.84672 -40.0379 161.651 -21.0976 98.4173 -95.4909 PRESSAVG: 4369400 39.279 -0.29633 26.9782 -0.296328 -58.6043 -34.3257 26.9782 -34.3257 -4.72224 GPRESSAVG: 4369400 38.1728 -1.87222 27.2411 -2.3699 -58.6871 -34.5016 27.5039 -36.1994 -3.85883 TIMING: 4369400 CPU: 13866.4, 0.00316053/step Wall: 13866.4, 0.00316053/step, 0.55362 hours remaining, 240.039062 MB of memory in use. ENERGY: 4369400 3993.9197 20342.4761 14479.0664 258.8170 -204000.1808 2747.3756 0.0000 0.0000 52096.7716 -110081.7544 299.4009 -162178.5260 -109705.1961 298.3195 -211.3546 -190.8990 760497.2275 -8.0159 -8.1244 PRESSURE: 4369600 251.499 226.972 -79.4186 226.972 131.697 -283.835 -79.4191 -283.834 224.7 GPRESSURE: 4369600 317.496 261.119 -52.2799 323.063 154.8 -277.708 -75.7404 -364.997 210.116 PRESSAVG: 4369600 40.9496 52.0413 69.6581 52.0413 -12.9472 41.753 69.6581 41.753 7.30381 GPRESSAVG: 4369600 40.9338 54.3062 68.0406 52.1908 -12.4033 42.1491 70.1393 40.4278 6.52802 TIMING: 4369600 CPU: 13867, 0.00316269/step Wall: 13867, 0.00316269/step, 0.553822 hours remaining, 240.039062 MB of memory in use. ENERGY: 4369600 4004.2386 20494.1464 14513.3928 248.2956 -204008.5659 2614.3509 0.0000 0.0000 51940.8553 -110193.2863 298.5048 -162134.1416 -109837.3189 297.8545 202.6319 227.4707 758668.2863 11.7687 11.6862 PRESSURE: 4369800 -132.377 -152.744 256.49 -152.744 33.8336 23.6565 256.49 23.6565 -97.1106 GPRESSURE: 4369800 -86.4267 -80.1143 303.147 9.19806 42.8707 55.0703 195.454 -21.3961 -65.1389 PRESSAVG: 4369800 33.3646 2.64557 6.579 2.64558 -39.347 -48.4556 6.57905 -48.4556 13.3596 GPRESSAVG: 4369800 34.3621 1.05236 8.47867 4.7165 -40.0672 -48.0301 6.60354 -48.8209 13.5182 TIMING: 4369800 CPU: 13867.6, 0.00315149/step Wall: 13867.6, 0.00315149/step, 0.551686 hours remaining, 240.039062 MB of memory in use. ENERGY: 4369800 3994.4630 20569.5405 14484.6342 257.8624 -203949.9573 2700.1676 0.0000 0.0000 52061.4776 -109881.8119 299.1980 -161943.2895 -109531.8016 298.7756 -65.2179 -36.2316 759514.6136 2.4591 2.6044 PRESSURE: 4370000 -3.24033 -11.2633 108.035 -11.2634 83.9547 -126.376 108.035 -126.378 92.3726 GPRESSURE: 4370000 135.657 25.2772 28.3806 -162.311 26.8923 -91.2874 72.5904 -117.834 93.3773 PRESSAVG: 4370000 -72.6688 -42.1493 -5.54342 -42.1493 58.3346 20.4048 -5.54336 20.4048 -2.05543 GPRESSAVG: 4370000 -72.0147 -42.6912 -4.16898 -44.3675 58.56 19.4717 -7.72756 22.9425 -2.69233 TIMING: 4370000 CPU: 13868.3, 0.00317013/step Wall: 13868.3, 0.00317013/step, 0.554772 hours remaining, 240.039062 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: 4370000 3960.6381 20475.2665 14476.2420 255.8374 -203512.0565 2814.1306 0.0000 0.0000 51721.7086 -109808.2332 297.2454 -161529.9419 -109448.5854 298.5539 57.6957 85.3090 761905.4944 -5.4632 -5.3824 PRESSURE: 4370200 -45.6595 -13.5125 78.577 -13.5121 52.7165 144.438 78.5776 144.438 -286.733 GPRESSURE: 4370200 -25.1377 -144.905 50.6254 18.3788 113.665 105.47 42.7648 74.019 -290.748 PRESSAVG: 4370200 2.62251 22.5283 -17.1125 22.5283 -22.2446 -30.0987 -17.1125 -30.0987 -25.4765 GPRESSAVG: 4370200 1.71759 23.5353 -18.2994 21.9018 -22.5543 -28.1277 -16.4775 -30.3506 -24.7497 TIMING: 4370200 CPU: 13868.9, 0.00315344/step Wall: 13868.9, 0.00315344/step, 0.551677 hours remaining, 240.039062 MB of memory in use. ENERGY: 4370200 4024.1330 20479.8665 14500.0898 240.7961 -203562.5307 2770.6287 0.0000 0.0000 51793.3203 -109753.6964 297.6569 -161547.0166 -109404.0524 298.6236 -93.2254 -67.4067 761924.9697 -15.0328 -15.1955 PRESSURE: 4370400 -529.866 120.87 -71.9178 120.871 -202.863 67.3421 -71.9167 67.3434 185.992 GPRESSURE: 4370400 -421.513 142.783 -79.2019 -16.8822 -206.337 102.724 -146.631 77.349 158.899 PRESSAVG: 4370400 -1.37193 10.9693 -2.96725 10.9693 1.00889 -4.13273 -2.96718 -4.13281 8.87713 GPRESSAVG: 4370400 -1.97287 10.3721 -3.02504 13.1327 1.35687 -4.78711 -3.48942 -5.54743 9.13126 TIMING: 4370400 CPU: 13869.5, 0.00314215/step Wall: 13869.5, 0.00314215/step, 0.549527 hours remaining, 240.039062 MB of memory in use. ENERGY: 4370400 3999.5373 20489.0627 14518.2336 250.6399 -203723.8376 2714.6512 0.0000 0.0000 52012.7869 -109738.9260 298.9182 -161751.7129 -109382.9423 298.5325 -182.2459 -156.3166 761322.1099 2.8380 2.8384 PRESSURE: 4370600 98.3631 -39.5052 -119.642 -39.5054 104.756 13.8281 -119.642 13.8281 154.285 GPRESSURE: 4370600 87.3967 -0.113528 -211.282 -114.76 125.818 -23.6954 -31.2208 9.93509 216.451 PRESSAVG: 4370600 -10.217 -24.9336 -77.8297 -24.9337 32.8437 -40.5905 -77.8296 -40.5906 22.0459 GPRESSAVG: 4370600 -10.1529 -26.0667 -79.6859 -26.0603 31.9884 -40.5356 -75.8015 -40.6854 22.6116 TIMING: 4370600 CPU: 13870.1, 0.00316136/step Wall: 13870.1, 0.00316136/step, 0.552712 hours remaining, 240.039062 MB of memory in use. ENERGY: 4370600 3960.9097 20565.5602 14615.6749 249.6537 -203932.6449 3014.3679 0.0000 0.0000 51925.0901 -109601.3885 298.4142 -161526.4786 -109239.6419 299.0268 119.1348 143.2220 762000.5931 14.8908 14.8157 PRESSURE: 4370800 406.291 145.966 53.7309 145.967 -74.3543 -88.4885 53.7311 -88.4889 -251.926 GPRESSURE: 4370800 403.196 151.641 92.9975 166.203 -39.1058 -11.8728 -29.9274 -181.067 -211.873 PRESSAVG: 4370800 3.31622 -34.183 -37.1915 -34.1831 22.4693 4.09339 -37.1914 4.0935 5.46879 GPRESSAVG: 4370800 4.82397 -33.1098 -36.0616 -33.955 21.9326 2.87591 -39.5255 5.03392 3.96831 TIMING: 4370800 CPU: 13870.8, 0.00318909/step Wall: 13870.8, 0.00318909/step, 0.557383 hours remaining, 240.039062 MB of memory in use. ENERGY: 4370800 3985.5204 20571.8410 14485.8487 241.5842 -203536.7818 2709.4738 0.0000 0.0000 51917.9830 -109624.5307 298.3734 -161542.5137 -109268.7149 298.9512 26.6702 50.7391 760760.0177 10.4181 10.2416 PRESSURE: 4371000 8.4273 259.507 108.694 259.506 91.4437 153.516 108.693 153.517 -188.562 GPRESSURE: 4371000 -42.6608 146.603 77.059 248.462 252.569 129.511 56.6253 140.407 -219.117 PRESSAVG: 4371000 18.2738 -2.05454 -5.3114 -2.0545 4.28171 44.6802 -5.31141 44.6802 10.2488 GPRESSAVG: 4371000 16.8844 -3.75054 -5.63306 -1.74085 5.07869 44.3804 -2.90376 45.8592 9.93409 TIMING: 4371000 CPU: 13871.4, 0.00317335/step Wall: 13871.4, 0.00317335/step, 0.554455 hours remaining, 240.039062 MB of memory in use. ENERGY: 4371000 3865.4366 20620.3089 14414.1696 227.1829 -203505.9909 2539.8660 0.0000 0.0000 52141.3454 -109697.6815 299.6570 -161839.0269 -109330.9197 298.6654 -29.5638 -3.0696 760920.5029 10.9348 10.6324 PRESSURE: 4371200 229.936 31.1421 14.6089 31.1422 43.5557 -248.827 14.6092 -248.827 -293.244 GPRESSURE: 4371200 162.461 35.9819 -35.0673 24.5921 92.9865 -217.313 -140.873 -139.981 -176.364 PRESSAVG: 4371200 -8.07902 31.7915 11.9308 31.7914 16.9774 -5.22654 11.9308 -5.22655 -3.26373 GPRESSAVG: 4371200 -7.41041 36.3623 14.3364 29.7104 15.5223 -6.23262 9.1307 -5.76644 -2.68786 TIMING: 4371200 CPU: 13872, 0.00317395/step Wall: 13872, 0.00317395/step, 0.554384 hours remaining, 240.039062 MB of memory in use. ENERGY: 4371200 3969.0307 20493.4318 14567.3574 248.1170 -203223.1255 2488.2760 0.0000 0.0000 51898.3443 -109558.5682 298.2605 -161456.9125 -109193.5318 299.0282 -6.5841 26.3612 760756.4435 1.8782 1.8080 PRESSURE: 4371400 35.9739 -85.7375 -70.747 -85.7373 -208.362 108.175 -70.7469 108.176 -463.2 GPRESSURE: 4371400 108.04 -40.3371 -59.4538 -73.3375 -214.47 62.5262 -87.4343 85.9822 -455.295 PRESSAVG: 4371400 70.9055 -55.6622 -39.1071 -55.6622 -40.1389 -13.0065 -39.1071 -13.0064 -1.93105 GPRESSAVG: 4371400 69.4864 -57.6269 -40.1901 -55.2267 -38.5198 -11.6113 -38.7721 -13.8715 -2.80786 TIMING: 4371400 CPU: 13872.7, 0.00316068/step Wall: 13872.7, 0.00316068/step, 0.55189 hours remaining, 240.039062 MB of memory in use. ENERGY: 4371400 3996.9199 20640.1717 14469.2647 234.8762 -203251.4624 2508.0084 0.0000 0.0000 51911.6522 -109490.5694 298.3370 -161402.2215 -109120.7034 299.5407 -211.8627 -187.2419 761397.2755 9.6119 9.3862 PRESSURE: 4371600 -541.404 -111.6 -90.2432 -111.599 -204.311 231.657 -90.2427 231.658 -197.126 GPRESSURE: 4371600 -459.395 -26.5705 -195.581 -105.439 -192.41 208.321 49.0382 169.174 -211.286 PRESSAVG: 4371600 43.4765 -0.459677 -14.0947 -0.4597 -71.6278 20.5183 -14.0947 20.5184 0.997378 GPRESSAVG: 4371600 44.9672 -1.47055 -14.4572 -0.354436 -72.733 20.8952 -12.9027 20.9837 1.12311 TIMING: 4371600 CPU: 13873.3, 0.00317049/step Wall: 13873.3, 0.00317049/step, 0.553426 hours remaining, 240.039062 MB of memory in use. ENERGY: 4371600 4049.1517 20775.6070 14489.6753 263.2737 -203288.9513 2428.8412 0.0000 0.0000 51993.1060 -109289.2965 298.8051 -161282.4025 -108927.8209 299.8025 -314.2803 -287.6968 763068.1745 -9.0513 -8.8809 PRESSURE: 4371800 14.4524 103.085 0.633914 103.085 -129.522 234.199 0.634465 234.201 419.78 GPRESSURE: 4371800 59.5496 39.2038 -84.3383 140.664 -78.4846 275.785 40.9665 142.445 399.642 PRESSAVG: 4371800 79.6486 -83.6279 -14.7925 -83.6279 -15.4765 -12.628 -14.7925 -12.628 3.37351 GPRESSAVG: 4371800 80.951 -86.8313 -15.1719 -81.103 -16.1369 -14.3739 -14.5541 -10.774 2.97864 TIMING: 4371800 CPU: 13874, 0.00319388/step Wall: 13874, 0.00319388/step, 0.557332 hours remaining, 240.039062 MB of memory in use. ENERGY: 4371800 3982.5544 20505.1678 14526.2875 249.6131 -203557.5102 2665.0697 0.0000 0.0000 52405.6875 -109223.1302 301.1762 -161628.8177 -108870.5852 299.9813 101.5699 126.9023 760525.5206 22.5152 22.5976 PRESSURE: 4372000 225.91 -151.676 -48.1913 -151.676 -18.4025 81.769 -48.1925 81.7673 232.712 GPRESSURE: 4372000 186.803 -132.435 -67.7182 -94.4649 53.0522 88.1652 42.7509 81.4256 277.017 PRESSAVG: 4372000 52.822 -19.7188 -33.7168 -19.7188 -22.7109 15.658 -33.7168 15.6579 4.43418 GPRESSAVG: 4372000 51.0885 -15.5245 -34.1498 -21.5255 -21.9896 17.9763 -33.535 13.5973 5.85966 TIMING: 4372000 CPU: 13874.6, 0.00317836/step Wall: 13874.6, 0.00317836/step, 0.554447 hours remaining, 240.039062 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: 4372000 3979.1747 20700.4475 14498.9782 228.7745 -203720.8466 2804.3504 0.0000 0.0000 52080.2521 -109428.8692 299.3059 -161509.1212 -109061.1585 299.9081 146.7401 172.2909 760870.1624 11.5151 11.6529 PRESSURE: 4372200 283.109 -35.1189 318.835 -35.1189 322.974 -33.3012 318.834 -33.3009 -5.34537 GPRESSURE: 4372200 282.211 -109.725 331.263 -32.865 315.783 -79.1205 245.263 -41.0982 62.7336 PRESSAVG: 4372200 -8.91258 -65.3276 -4.41087 -65.3276 9.17511 8.94701 -4.41073 8.94702 5.20047 GPRESSAVG: 4372200 -8.86655 -67.1903 -2.90708 -65.2959 9.07128 8.75479 -6.66572 9.46306 4.97588 TIMING: 4372200 CPU: 13875.2, 0.00316528/step Wall: 13875.2, 0.00316528/step, 0.551989 hours remaining, 240.039062 MB of memory in use. ENERGY: 4372200 4012.9609 20517.3616 14522.0741 247.3513 -203709.3387 2849.9158 0.0000 0.0000 52236.6652 -109323.0097 300.2048 -161559.6749 -108961.4603 299.6196 200.2460 220.2422 759437.4540 1.8210 1.7269 LDB: ============= START OF LOAD BALANCING ============== 13887.7 LDB: ============== END OF LOAD BALANCING =============== 13887.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13887.7 LDB: ============= START OF LOAD BALANCING ============== 13888 LDB: Largest compute 7068 load 0.036150 is 18.5% of average load 0.195384 LDB: Average compute 0.004395 is 2.2% of average load 0.195384 LDB: TIME 13888 LOAD: AVG 0.195384 MAX 0.215265 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.094 MB LDB: TIME 13888 LOAD: AVG 0.195384 MAX 0.215265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: TIME 13888 LOAD: AVG 0.195384 MAX 0.215265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.094 MB LDB: ============== END OF LOAD BALANCING =============== 13888 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13888 PRESSURE: 4372400 90.8785 38.7073 -61.9379 38.7065 -69.5746 -198.116 -61.9383 -198.116 93.1909 GPRESSURE: 4372400 129.486 -1.2413 -63.3655 77.3971 -4.3952 -221.922 -206.749 -366.08 54.7219 PRESSAVG: 4372400 15.1078 -33.8939 -4.46981 -33.894 -66.3189 8.43496 -4.46981 8.43492 -2.40772 GPRESSAVG: 4372400 16.2538 -33.2911 -5.07047 -32.835 -66.6924 7.18476 -5.87873 8.2183 -3.82751 TIMING: 4372400 CPU: 13875.9, 0.00323501/step Wall: 13875.9, 0.00323501/step, 0.56397 hours remaining, 240.039062 MB of memory in use. ENERGY: 4372400 3965.3940 20533.8623 14509.3983 271.7436 -203759.3762 2732.6355 0.0000 0.0000 52267.6702 -109478.6722 300.3830 -161746.3424 -109126.6238 299.6869 38.1650 59.9375 760532.2682 -17.8729 -18.0887 PRESSURE: 4372600 -248.785 77.642 -108.301 77.6415 -334.596 -30.542 -108.3 -30.5417 -114.569 GPRESSURE: 4372600 -211.725 -36.9852 -16.438 54.1398 -239.168 -83.4706 -45.5137 65.2827 -151.688 PRESSAVG: 4372600 7.2467 -3.82554 -14.572 -3.82558 20.1479 37.2622 -14.572 37.2622 16.7533 GPRESSAVG: 4372600 6.79306 -3.27239 -13.3501 -3.36816 20.9101 37.205 -12.5837 36.4107 15.9963 TIMING: 4372600 CPU: 13876.5, 0.00316794/step Wall: 13876.5, 0.00316794/step, 0.552101 hours remaining, 240.039062 MB of memory in use. ENERGY: 4372600 4044.2463 20477.5258 14454.9070 258.3679 -203373.4922 2355.9871 0.0000 0.0000 52136.1010 -109646.3572 299.6269 -161782.4582 -109276.1326 299.9240 -232.6499 -200.8605 761438.4600 14.7160 14.5665 PRESSURE: 4372800 98.7283 -60.1205 92.4153 -60.1202 27.4145 232.041 92.4158 232.042 439.117 GPRESSURE: 4372800 66.3929 -27.9182 -18.9449 -52.1532 130.532 131.457 -54.0897 292.689 437.702 PRESSAVG: 4372800 -43.3792 -25.4583 3.34769 -25.4583 52.8394 -31.725 3.34772 -31.725 9.56809 GPRESSAVG: 4372800 -44.5349 -27.1936 2.3103 -27.7471 53.179 -31.2891 5.5565 -28.4839 10.7172 TIMING: 4372800 CPU: 13877.1, 0.00316935/step Wall: 13877.1, 0.00316935/step, 0.552171 hours remaining, 240.039062 MB of memory in use. ENERGY: 4372800 3996.6613 20535.4790 14431.0925 256.1967 -203627.7525 2726.1789 0.0000 0.0000 51910.8787 -109771.2653 298.3325 -161682.1441 -109408.8210 299.0114 188.4201 211.5426 759324.0281 6.3428 6.4538 PRESSURE: 4373000 36.328 223.587 90.28 223.588 3.54326 241.568 90.2801 241.568 -113.674 GPRESSURE: 4373000 12.4944 231.923 87.0467 169.949 104.999 111.373 138.51 107.465 -134.415 PRESSAVG: 4373000 -25.493 -16.37 -10.5535 -16.3701 35.0269 25.901 -10.5536 25.901 -3.9054 GPRESSAVG: 4373000 -25.2895 -14.3016 -9.90203 -16.0629 34.8006 26.7829 -11.2501 23.4942 -3.67264 TIMING: 4373000 CPU: 13877.8, 0.00318457/step Wall: 13877.8, 0.00318457/step, 0.554646 hours remaining, 240.039062 MB of memory in use. ENERGY: 4373000 3952.6060 20595.8374 14469.8739 248.9285 -203419.4703 2419.1192 0.0000 0.0000 51957.1128 -109775.9925 298.5982 -161733.1053 -109414.6560 298.2766 -24.6008 -5.6403 761399.0388 1.8762 1.9462 PRESSURE: 4373200 -244.9 -60.8945 -77.6649 -60.8936 306.348 54.0561 -77.6645 54.0548 -365.588 GPRESSURE: 4373200 -245.189 -137.011 -133.869 -28.9911 323.923 82.46 -104.346 -23.3922 -322.664 PRESSAVG: 4373200 -86.2382 -14.2377 1.87318 -14.2376 46.8351 -39.0378 1.87312 -39.0378 -18.8411 GPRESSAVG: 4373200 -86.4046 -15.8548 -1.24404 -12.8651 47.0634 -40.579 3.85916 -36.0887 -18.6987 TIMING: 4373200 CPU: 13878.4, 0.00316869/step Wall: 13878.4, 0.00316869/step, 0.551704 hours remaining, 240.039062 MB of memory in use. ENERGY: 4373200 4013.9133 20677.9004 14455.5405 248.5793 -203543.4792 2622.9093 0.0000 0.0000 51764.2583 -109760.3780 297.4899 -161524.6363 -109408.9177 298.7219 -101.3798 -81.3099 762819.7307 -19.4147 -19.3466 PRESSURE: 4373400 284.213 32.9918 -87.3276 32.9926 80.1172 -125.253 -87.3269 -125.254 -89.5353 GPRESSURE: 4373400 379.136 -19.5688 -112.921 37.2238 -19.3867 -188.854 -67.132 -182.039 -8.98768 PRESSAVG: 4373400 -56.6415 -43.9547 9.37161 -43.9547 101.924 -27.2216 9.37162 -27.2216 6.22423 GPRESSAVG: 4373400 -56.4761 -44.2058 10.2045 -46.5504 101.445 -25.7821 8.38409 -29.6632 6.29715 TIMING: 4373400 CPU: 13879, 0.00312846/step Wall: 13879, 0.00312846/step, 0.544525 hours remaining, 240.039062 MB of memory in use. ENERGY: 4373400 3942.2266 20496.1011 14448.9449 264.0318 -203420.5786 2590.7356 0.0000 0.0000 52011.6570 -109666.8817 298.9117 -161678.5387 -109303.6518 299.1279 91.5982 116.9206 760193.8119 17.1689 17.0888 PRESSURE: 4373600 -90.139 -211.696 -155.507 -211.696 314.063 264.304 -155.507 264.305 262.228 GPRESSURE: 4373600 -37.1905 -194.279 -113.449 -155.178 364.59 185.778 -97.1472 206.902 265.386 PRESSAVG: 4373600 -48.3684 -31.8687 -22.6514 -31.8687 42.0792 10.4102 -22.6514 10.4102 -9.03747 GPRESSAVG: 4373600 -49.033 -31.5024 -21.2276 -30.2141 42.8234 9.12797 -22.3912 10.084 -9.39939 TIMING: 4373600 CPU: 13879.7, 0.00314379/step Wall: 13879.7, 0.00314379/step, 0.54702 hours remaining, 240.039062 MB of memory in use. ENERGY: 4373600 4002.3430 20515.5670 14462.4679 253.3840 -203500.0129 2385.5983 0.0000 0.0000 52058.8424 -109821.8103 299.1829 -161880.6527 -109455.4057 299.0068 162.0508 197.5951 758184.1965 -5.1089 -5.2030 PRESSURE: 4373800 -323.139 -205.342 -182.156 -205.341 -7.61188 -27.4193 -182.157 -27.4194 -359.581 GPRESSURE: 4373800 -259.293 -109.127 -120.01 -219.669 -29.0911 -31.9569 -134.759 117.773 -328.722 PRESSAVG: 4373800 -30.6047 -56.2071 10.3218 -56.2071 30.0772 34.758 10.3219 34.7581 -17.0304 GPRESSAVG: 4373800 -31.4929 -54.1045 9.20368 -56.3734 29.292 36.1781 11.485 33.859 -15.8793 TIMING: 4373800 CPU: 13880.3, 0.00318419/step Wall: 13880.3, 0.00318419/step, 0.553873 hours remaining, 240.039062 MB of memory in use. ENERGY: 4373800 4080.1112 20398.7665 14454.2633 247.2401 -203401.0412 2497.1541 0.0000 0.0000 51943.9119 -109779.5940 298.5224 -161723.5058 -109399.8784 298.8738 -230.1107 -205.7022 761385.7222 -5.8527 -6.0267 PRESSURE: 4374000 -278.653 -142.586 -93.0868 -142.586 86.043 114.673 -93.087 114.673 -334.48 GPRESSURE: 4374000 -185.682 -196.794 -183.354 -123.364 68.0653 123.765 -23.0576 63.3201 -322.847 PRESSAVG: 4374000 -3.97664 -37.5786 43.1294 -37.5786 12.7922 -24.6951 43.1294 -24.6951 -12.6715 GPRESSAVG: 4374000 -3.33468 -38.1188 43.1822 -39.3503 13.1354 -24.89 40.9258 -21.6036 -13.8815 TIMING: 4374000 CPU: 13880.9, 0.00315647/step Wall: 13880.9, 0.00315647/step, 0.548874 hours remaining, 240.039062 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: 4374000 3962.8406 20458.4769 14527.8408 242.7522 -203553.2671 2565.5897 0.0000 0.0000 51962.5812 -109833.1857 298.6297 -161795.7669 -109482.1531 298.6481 -175.6965 -146.8213 760499.8888 -1.2853 -1.3603 PRESSURE: 4374200 195.761 -39.4599 51.4231 -39.4609 -24.6666 -66.0678 51.4232 -66.0676 -93.1791 GPRESSURE: 4374200 198.773 -8.38667 104.013 -145.263 -27.7111 -45.6642 117.945 -41.3814 7.60462 PRESSAVG: 4374200 25.7924 -37.686 -6.57479 -37.6859 -11.6699 -4.63808 -6.57478 -4.638 14.3913 GPRESSAVG: 4374200 26.0368 -38.4506 -6.41611 -36.2565 -13.3311 -5.45567 -7.27658 -7.26125 15.6545 TIMING: 4374200 CPU: 13881.6, 0.00316553/step Wall: 13881.6, 0.00316553/step, 0.550275 hours remaining, 240.039062 MB of memory in use. ENERGY: 4374200 4005.7307 20326.9566 14439.5293 239.5644 -203598.1904 2631.8173 0.0000 0.0000 52230.2072 -109724.3848 300.1677 -161954.5920 -109363.9667 298.8340 25.9717 59.5555 762241.5253 9.5046 9.4534 PRESSURE: 4374400 -161.522 24.1766 -198.8 24.1755 115.531 -9.99371 -198.8 -9.99513 -323.398 GPRESSURE: 4374400 -134.017 40.2387 -228.694 -18.0744 163.536 -22.3462 -110.302 102.973 -304.452 PRESSAVG: 4374400 -21.6166 -14.8219 -30.8911 -14.8219 25.857 -12.8876 -30.8911 -12.8876 -0.314909 GPRESSAVG: 4374400 -22.4467 -13.7513 -29.6947 -16.3093 28.0058 -11.5064 -30.5952 -11.5951 -1.98787 TIMING: 4374400 CPU: 13882.2, 0.00315477/step Wall: 13882.2, 0.00315477/step, 0.54823 hours remaining, 240.039062 MB of memory in use. ENERGY: 4374400 4057.0671 20385.0082 14514.4994 247.6603 -203434.1838 2393.8258 0.0000 0.0000 52109.9280 -109726.1951 299.4765 -161836.1231 -109372.7187 299.2181 -123.1296 -91.6441 760569.9770 1.3085 1.1904 PRESSURE: 4374600 143.489 -21.2255 1.95153 -21.2255 103.31 50.0969 1.95182 50.0974 -78.5067 GPRESSURE: 4374600 188.696 -73.4255 -80.5225 -182.197 53.3157 154.819 21.5942 -20.1079 23.2915 PRESSAVG: 4374600 6.98434 -29.9252 -18.9925 -29.9252 20.0467 20.9257 -18.9926 20.9257 -2.62933 GPRESSAVG: 4374600 7.47646 -31.0292 -20.7393 -29.3159 19.3295 20.3204 -17.3626 21.6136 -2.32099 TIMING: 4374600 CPU: 13882.8, 0.00316754/step Wall: 13882.8, 0.00316754/step, 0.550272 hours remaining, 240.039062 MB of memory in use. ENERGY: 4374600 3954.5008 20274.9586 14482.7138 250.5084 -203287.8803 2482.6246 0.0000 0.0000 51988.3425 -109854.2316 298.7777 -161842.5741 -109478.3359 298.5333 56.0973 88.4343 760158.7426 8.1339 8.1616 PRESSURE: 4374800 -208.864 -174.839 -101.824 -174.839 123.679 -31.9783 -101.824 -31.9793 107.284 GPRESSURE: 4374800 -144.326 -239.155 -66.7618 -68.5001 92.1909 -90.0198 -59.9645 68.2048 151.849 PRESSAVG: 4374800 5.59394 -38.759 -34.6425 -38.759 8.12967 34.581 -34.6425 34.581 -11.3221 GPRESSAVG: 4374800 6.68891 -38.9197 -34.5504 -38.4325 6.7092 34.6752 -34.8921 34.7158 -10.9278 TIMING: 4374800 CPU: 13883.5, 0.00315676/step Wall: 13883.5, 0.00315676/step, 0.548224 hours remaining, 240.039062 MB of memory in use. ENERGY: 4374800 3983.5022 20603.3065 14481.4266 240.4618 -203123.1365 2358.8673 0.0000 0.0000 51759.4012 -109696.1709 297.4620 -161455.5721 -109339.4007 298.4213 7.3663 33.2379 760528.7648 0.8005 0.8234 PRESSURE: 4375000 349.079 45.9174 -135.395 45.918 385.485 33.8214 -135.395 33.822 14.6631 GPRESSURE: 4375000 281.96 -2.20366 -108.6 61.0402 492.144 -12.2838 -217.065 20.9837 60.8239 PRESSAVG: 4375000 -74.0955 -93.1477 15.4746 -93.1477 51.1769 36.6321 15.4746 36.6321 -12.7735 GPRESSAVG: 4375000 -74.7044 -96.6396 16.8624 -91.564 53.3761 37.0683 14.1722 34.1501 -14.41 TIMING: 4375000 CPU: 13884.1, 0.00315944/step Wall: 13884.1, 0.00315944/step, 0.548514 hours remaining, 240.039062 MB of memory in use. ENERGY: 4375000 3945.6537 20562.9509 14534.3508 265.0399 -203714.9644 2790.0063 0.0000 0.0000 52143.6897 -109473.2731 299.6705 -161616.9628 -109114.1521 299.4709 249.7424 278.3094 759311.7697 -11.8974 -11.9128 PRESSURE: 4375200 194.671 -46.9098 -19.1121 -46.9103 18.2889 291.253 -19.1138 291.253 19.5868 GPRESSURE: 4375200 194.427 -39.7886 -2.61767 -51.1051 17.7407 203.691 27.392 187.323 118.782 PRESSAVG: 4375200 -34.1487 -31.7328 -15.7507 -31.7327 50.9774 -41.7416 -15.7507 -41.7416 4.96283 GPRESSAVG: 4375200 -34.1626 -28.4929 -16.7545 -31.2812 49.8469 -43.7126 -13.0795 -40.3176 5.61363 TIMING: 4375200 CPU: 13884.7, 0.00316333/step Wall: 13884.7, 0.00316333/step, 0.549014 hours remaining, 240.039062 MB of memory in use. ENERGY: 4375200 3963.0385 20421.7597 14521.2256 225.0543 -203623.9934 2522.4252 0.0000 0.0000 52222.5610 -109747.9293 300.1238 -161970.4902 -109389.3152 299.4286 77.5157 110.3165 759778.6950 7.2638 7.0993 PRESSURE: 4375400 -334.631 -34.2256 66.4011 -34.2255 -305.582 67.8806 66.4005 67.8815 -257.051 GPRESSURE: 4375400 -369.427 -72.0906 92.8228 -69.2323 -162.692 24.7336 -77.1378 138.159 -266.614 PRESSAVG: 4375400 -21.6547 -39.4691 72.3578 -39.4691 31.5097 -26.4547 72.3578 -26.4547 -2.33925 GPRESSAVG: 4375400 -22.09 -38.4398 73.3273 -41.0852 32.17 -24.8868 68.9895 -26.0554 -2.09934 TIMING: 4375400 CPU: 13885.4, 0.00316622/step Wall: 13885.4, 0.00316622/step, 0.549338 hours remaining, 240.039062 MB of memory in use. ENERGY: 4375400 3989.0471 20544.6568 14501.7166 253.4259 -202934.0001 1919.2950 0.0000 0.0000 51855.1250 -109870.7338 298.0121 -161725.8588 -109503.4983 298.8712 -299.0881 -266.2442 760534.9683 2.5053 2.6602 PRESSURE: 4375600 48.3247 118.517 96.5719 118.516 -83.9976 -56.5392 96.5714 -56.5403 -42.3588 GPRESSURE: 4375600 73.9803 16.1102 61.1415 99.5129 -47.0437 27.1947 48.5747 -68.3507 -19.7406 PRESSAVG: 4375600 21.8956 -34.5196 -40.2821 -34.5195 -20.3857 20.317 -40.2821 20.3171 4.63513 GPRESSAVG: 4375600 21.7823 -36.7761 -39.1608 -35.1058 -20.5705 18.6483 -40.4615 21.3598 4.83512 TIMING: 4375600 CPU: 13886, 0.00315618/step Wall: 13886, 0.00315618/step, 0.547421 hours remaining, 240.039062 MB of memory in use. ENERGY: 4375600 3983.7083 20476.0618 14476.3401 278.7742 -203567.4192 2409.1235 0.0000 0.0000 51905.5467 -110037.8646 298.3019 -161943.4113 -109683.6602 298.4998 -26.0106 2.3987 759686.3017 2.0483 2.0156 PRESSURE: 4375800 -432.856 116.859 -152.415 116.86 278.694 -55.1519 -152.414 -55.1511 136.805 GPRESSURE: 4375800 -342.146 99.3321 -211.1 146.725 229.459 -85.0706 -196.222 -140.028 191.854 PRESSAVG: 4375800 -20.019 -32.2543 -14.7601 -32.2544 -22.7013 51.3195 -14.7601 51.3195 -0.977076 GPRESSAVG: 4375800 -18.5887 -31.1882 -15.684 -31.7472 -24.5289 53.2205 -13.2562 49.7517 -1.08608 TIMING: 4375800 CPU: 13886.6, 0.00314501/step Wall: 13886.6, 0.00314501/step, 0.54531 hours remaining, 240.039062 MB of memory in use. ENERGY: 4375800 3969.5199 20429.5653 14511.3904 262.0444 -203243.9817 2332.5795 0.0000 0.0000 51804.9044 -109933.9778 297.7235 -161738.8822 -109580.0435 298.4691 -5.7857 26.3892 760632.2636 -14.5658 -14.7345 PRESSURE: 4376000 233.109 -139 69.6606 -138.999 39.5763 8.80782 69.6607 8.80806 -65.9644 GPRESSURE: 4376000 141.92 -16.555 83.9483 -128.482 126.753 54.8752 125.677 17.5468 17.8474 PRESSAVG: 4376000 -8.9575 -45.6105 57.1182 -45.6106 10.8139 -59.9604 57.1183 -59.9604 18.4056 GPRESSAVG: 4376000 -9.96528 -42.9016 56.6722 -43.025 12.7779 -58.6894 55.5673 -59.2629 17.7713 TIMING: 4376000 CPU: 13887.2, 0.00314842/step Wall: 13887.2, 0.00314842/step, 0.545726 hours remaining, 240.039062 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: 4376000 4004.6776 20655.8034 14532.4580 250.1642 -203369.0884 2522.1576 0.0000 0.0000 51916.0945 -109487.7331 298.3625 -161403.8276 -109135.6437 299.0577 68.9070 95.5069 759505.1516 6.7540 6.8613 PRESSURE: 4376200 94.9939 -71.0414 32.0187 -71.0418 164.74 212.089 32.0191 212.09 303.93 GPRESSURE: 4376200 150.283 -39.5394 2.3581 -55.1595 241.788 251.198 21.873 243.253 254.4 PRESSAVG: 4376200 -5.30717 -10.4382 -14.6493 -10.4382 25.0664 9.10672 -14.6492 9.10672 -13.1798 GPRESSAVG: 4376200 -4.25189 -11.2656 -15.0225 -12.692 24.2376 9.04596 -11.7748 8.9568 -12.963 TIMING: 4376200 CPU: 13887.9, 0.00313885/step Wall: 13887.9, 0.00313885/step, 0.543893 hours remaining, 240.039062 MB of memory in use. ENERGY: 4376200 3883.2078 20605.3195 14616.2276 243.8497 -203648.2413 2717.9857 0.0000 0.0000 52247.8065 -109333.8444 300.2689 -161581.6510 -108971.4970 299.6851 187.8878 215.4902 760412.9025 2.1931 2.3409 LDB: ============= START OF LOAD BALANCING ============== 13900.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13900.3 LDB: =============== DONE WITH MIGRATION ================ 13900.3 LDB: ============= START OF LOAD BALANCING ============== 13900.6 LDB: Largest compute 7059 load 0.035593 is 18.2% of average load 0.195548 LDB: Average compute 0.004398 is 2.2% of average load 0.195548 LDB: TIME 13900.6 LOAD: AVG 0.195548 MAX 0.216284 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 13900.6 LOAD: AVG 0.195548 MAX 0.216284 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: TIME 13900.6 LOAD: AVG 0.195548 MAX 0.216284 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.242 MB LDB: ============== END OF LOAD BALANCING =============== 13900.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13900.7 PRESSURE: 4376400 -61.6084 46.1772 86.4964 46.177 97.1045 251.35 86.4968 251.35 183.659 GPRESSURE: 4376400 -56.3044 -67.2064 120.883 176.732 205.202 291.331 127.64 122.967 139.323 PRESSAVG: 4376400 15.9888 -11.9407 41.2124 -11.9406 17.053 -15.2098 41.2124 -15.2098 11.6005 GPRESSAVG: 4376400 15.1989 -13.9491 42.3354 -11.1966 17.4711 -14.7675 38.4549 -16.4203 12.2392 TIMING: 4376400 CPU: 13888.5, 0.00320763/step Wall: 13888.5, 0.00320763/step, 0.555633 hours remaining, 240.472656 MB of memory in use. ENERGY: 4376400 3969.6323 20396.7112 14535.3717 251.9506 -203576.9585 2662.1321 0.0000 0.0000 52517.6017 -109243.5590 301.8194 -161761.1606 -108875.3876 300.3039 73.0516 96.0736 761590.6445 14.8808 14.9697 PRESSURE: 4376600 -91.4975 -107.924 -44.7809 -107.924 159.72 68.9344 -44.7813 68.9339 20.4019 GPRESSURE: 4376600 -65.5565 -80.2853 48.9881 54.1361 161.85 72.8506 -2.7321 18.2514 63.3917 PRESSAVG: 4376600 -43.1291 0.798264 -1.78882 0.798309 39.9245 19.5881 -1.78883 19.5881 10.1195 GPRESSAVG: 4376600 -42.3048 2.3341 -4.15885 -0.486495 40.2581 17.3607 -0.45198 20.9045 8.86093 TIMING: 4376600 CPU: 13889.1, 0.00316824/step Wall: 13889.1, 0.00316824/step, 0.548634 hours remaining, 240.675781 MB of memory in use. ENERGY: 4376600 3848.2513 20609.7953 14479.6718 257.9240 -203365.7686 2532.6253 0.0000 0.0000 52356.5056 -109280.9952 300.8936 -161637.5008 -108915.4696 300.2185 29.5415 53.2284 762373.9343 2.3050 2.2714 PRESSURE: 4376800 -294.892 102.775 298.02 102.776 -157.004 105.725 298.019 105.726 -402.139 GPRESSURE: 4376800 -320.778 194.189 265.189 92.2565 -109.659 166.42 233.548 45.335 -335.102 PRESSAVG: 4376800 5.30296 1.25205 16.6672 1.25204 -18.401 -18.8074 16.6672 -18.8074 33.2932 GPRESSAVG: 4376800 3.7003 0.399798 17.1843 3.5599 -18.4821 -17.7614 16.1155 -19.736 35.2142 TIMING: 4376800 CPU: 13889.8, 0.00315704/step Wall: 13889.8, 0.00315704/step, 0.546519 hours remaining, 240.675781 MB of memory in use. ENERGY: 4376800 3965.7834 20465.5427 14550.0876 264.8210 -202897.9535 2234.1112 0.0000 0.0000 52157.6393 -109259.9683 299.7507 -161417.6076 -108906.0389 299.5230 -284.6780 -255.1799 761711.3973 6.7317 6.8108 PRESSURE: 4377000 395.468 -385.681 61.1448 -385.681 102.14 -57.4074 61.1451 -57.4083 -128.517 GPRESSURE: 4377000 397.719 -338.646 -25.4504 -340.008 124.686 -35.0054 137.844 -9.84621 -61.772 PRESSAVG: 4377000 66.4667 -99.4333 13.8578 -99.4333 -42.8257 23.1003 13.8578 23.1002 -2.81726 GPRESSAVG: 4377000 68.4337 -99.1764 13.4426 -99.8279 -43.838 21.0241 15.4276 25.4152 -3.21103 TIMING: 4377000 CPU: 13890.4, 0.00317435/step Wall: 13890.4, 0.00317435/step, 0.549338 hours remaining, 240.675781 MB of memory in use. ENERGY: 4377000 4030.2994 20440.3986 14571.9048 246.5447 -203305.9231 2533.1773 0.0000 0.0000 52039.7741 -109443.8242 299.0733 -161483.5983 -109090.9132 299.1654 123.0302 153.5445 759527.8113 6.9412 7.1282 PRESSURE: 4377200 47.6995 270.955 128.587 270.955 64.5611 -35.5868 128.588 -35.5863 -146.475 GPRESSURE: 4377200 70.8015 302.753 190.436 110.299 111.31 -94.5173 190.31 -151.812 -143.16 PRESSAVG: 4377200 -7.93623 -28.7245 42.3599 -28.7245 -20.004 1.20824 42.36 1.20823 9.56523 GPRESSAVG: 4377200 -8.58718 -27.4194 43.7304 -31.808 -19.2617 0.994873 39.4331 0.688751 8.75661 TIMING: 4377200 CPU: 13891.1, 0.0031739/step Wall: 13891.1, 0.00317391/step, 0.549086 hours remaining, 240.675781 MB of memory in use. ENERGY: 4377200 4001.1290 20589.9334 14421.0302 227.3709 -203012.0192 2467.8434 0.0000 0.0000 52020.2001 -109284.5122 298.9608 -161304.7123 -108939.4843 298.7317 -11.4050 12.9839 759229.1391 -6.1250 -6.3641 PRESSURE: 4377400 -263.53 144.669 -74.6769 144.67 -357.746 110.677 -74.6764 110.677 297.989 GPRESSURE: 4377400 -186.053 -35.8502 -162.084 147.662 -341.889 11.1953 -57.4317 110.606 283.773 PRESSAVG: 4377400 -2.61089 -38.2032 27.0884 -38.2032 -14.9946 -9.23866 27.0884 -9.23859 18.1757 GPRESSAVG: 4377400 -2.53188 -38.9371 27.1466 -34.9949 -16.3979 -7.02185 28.9938 -11.6302 19.3331 TIMING: 4377400 CPU: 13891.7, 0.00315262/step Wall: 13891.7, 0.00315262/step, 0.545229 hours remaining, 240.675781 MB of memory in use. ENERGY: 4377400 4020.4738 20403.4171 14518.6581 223.4150 -203224.9734 2366.1160 0.0000 0.0000 52259.0335 -109433.8600 300.3334 -161692.8934 -109071.6408 299.3641 -107.7621 -81.3896 760053.2090 0.1901 0.1344 PRESSURE: 4377600 -527.418 -286.631 -198.57 -286.631 -0.231366 -165.433 -198.57 -165.432 -117.087 GPRESSURE: 4377600 -483.886 -224.563 -121.882 -241.418 -20.9262 -76.3763 -78.119 -232.698 -58.9765 PRESSAVG: 4377600 -31.4927 -58.1097 10.9626 -58.1097 4.46408 -29.8834 10.9626 -29.8833 -10.9665 GPRESSAVG: 4377600 -30.5019 -58.2264 10.4862 -59.3281 4.70726 -30.2838 12.6784 -27.0159 -11.9483 TIMING: 4377600 CPU: 13892.3, 0.00314782/step Wall: 13892.3, 0.00314782/step, 0.544223 hours remaining, 240.675781 MB of memory in use. ENERGY: 4377600 4027.8478 20424.5226 14542.0266 237.2783 -203255.4210 2571.4155 0.0000 0.0000 51925.1530 -109527.1771 298.4146 -161452.3302 -109172.9967 299.0330 -214.9123 -187.9294 761811.5398 -12.6651 -12.5810 PRESSURE: 4377800 -153.696 -78.2628 -41.2721 -78.2625 -322.867 54.4462 -41.2728 54.4458 -2.03374 GPRESSURE: 4377800 -153.657 -10.2263 82.1604 -3.43337 -276.25 122.909 -59.6696 18.0509 40.2698 PRESSAVG: 4377800 -13.5873 -41.9175 36.4617 -41.9175 8.46462 -36.9402 36.4617 -36.9401 -13.194 GPRESSAVG: 4377800 -13.7402 -41.4639 36.7441 -40.8344 8.59162 -37.1406 36.2932 -37.823 -13.1141 TIMING: 4377800 CPU: 13892.9, 0.00317297/step Wall: 13892.9, 0.00317297/step, 0.548395 hours remaining, 240.675781 MB of memory in use. ENERGY: 4377800 3970.4186 20385.4024 14509.2879 281.8606 -203395.5055 2590.3462 0.0000 0.0000 52124.9196 -109533.2702 299.5626 -161658.1898 -109174.9138 298.9932 -159.5324 -129.8789 762241.9258 -6.1056 -6.0876 PRESSURE: 4378000 -228.774 3.57293 342.981 3.57261 59.8539 85.122 342.98 85.122 299.967 GPRESSURE: 4378000 -127.157 16.8251 240.976 27.7151 39.8957 -25.2235 385.382 153.698 314.27 PRESSAVG: 4378000 -13.2734 -17.5571 12.4093 -17.5571 14.7888 30.556 12.4093 30.556 -0.675041 GPRESSAVG: 4378000 -13.0025 -17.8285 11.8857 -19.1831 15.1568 31.3191 10.9871 30.6973 -1.03186 TIMING: 4378000 CPU: 13893.6, 0.00315322/step Wall: 13893.6, 0.00315322/step, 0.544807 hours remaining, 240.675781 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: 4378000 4015.7098 20442.5325 14522.8663 239.3604 -203464.3201 2585.4367 0.0000 0.0000 52098.0881 -109560.3264 299.4084 -161658.4146 -109199.2675 299.1981 43.6821 75.6696 760039.1372 0.2801 0.3741 PRESSURE: 4378200 375.438 120.864 -71.0037 120.864 76.4642 -88.4089 -71.003 -88.4087 325.697 GPRESSURE: 4378200 302.304 93.3572 -29.8777 49.9022 136.275 -20.2548 -79.5984 -99.4369 420.368 PRESSAVG: 4378200 -16.3076 -30.3089 20.4898 -30.3089 43.955 -2.57133 20.4898 -2.57142 -5.48169 GPRESSAVG: 4378200 -17.2135 -31.8861 21.6287 -28.3002 44.3817 -2.29887 20.6891 -1.72938 -4.68814 TIMING: 4378200 CPU: 13894.2, 0.00318038/step Wall: 13894.2, 0.00318038/step, 0.549321 hours remaining, 240.675781 MB of memory in use. ENERGY: 4378200 3989.6903 20578.3241 14513.7563 229.2279 -203655.3186 2838.3313 0.0000 0.0000 52146.9022 -109359.0866 299.6890 -161505.9887 -109000.2326 299.3219 259.1995 286.3155 760941.0591 7.3886 7.4933 PRESSURE: 4378400 202.606 -200.255 73.0265 -200.255 -201.75 124.838 73.0273 124.837 -16.2413 GPRESSURE: 4378400 259.693 -211.46 126.87 -44.7148 -269.115 105.089 18.2212 131.585 69.6109 PRESSAVG: 4378400 34.0381 -87.4343 -52.3519 -87.4343 -44.347 21.1749 -52.3518 21.175 10.2547 GPRESSAVG: 4378400 33.3841 -87.4847 -53.0171 -87.7546 -44.0764 20.8847 -55.3285 20.2654 10.4465 TIMING: 4378400 CPU: 13894.8, 0.00318151/step Wall: 13894.8, 0.00318151/step, 0.549341 hours remaining, 240.675781 MB of memory in use. ENERGY: 4378400 3992.6924 20518.1843 14484.8493 253.1630 -203800.7726 2682.5383 0.0000 0.0000 52101.8533 -109767.4920 299.4301 -161869.3453 -109402.6070 299.0297 -5.1283 20.0631 762176.3662 -0.0181 -0.0819 PRESSURE: 4378600 -46.3407 239.095 261.717 239.095 -6.98616 -210.308 261.717 -210.307 -394.046 GPRESSURE: 4378600 -1.00696 199.309 278.359 164.954 6.69966 -229.266 402.114 -157.745 -363.418 PRESSAVG: 4378600 -36.5095 -62.9008 -4.05641 -62.9008 39.4506 -1.37723 -4.05636 -1.37718 7.19064 GPRESSAVG: 4378600 -34.8998 -61.8801 -4.68695 -64.9623 39.8899 -1.54572 -1.89253 -0.773055 5.43215 TIMING: 4378600 CPU: 13895.5, 0.00316601/step Wall: 13895.5, 0.00316601/step, 0.546488 hours remaining, 240.675781 MB of memory in use. ENERGY: 4378600 4013.5025 20524.8908 14540.2278 262.8760 -203506.6619 2509.3483 0.0000 0.0000 51867.6167 -109788.1999 298.0839 -161655.8166 -109424.2379 298.6030 -149.1242 -119.2418 763901.3445 3.3772 3.4741 PRESSURE: 4378800 171.745 -47.6301 -112.934 -47.6309 -78.6027 -57.8303 -112.934 -57.8302 201.189 GPRESSURE: 4378800 232.399 -72.1784 -123.468 60.1773 0.754852 -17.8079 -143.938 -60.2272 156.097 PRESSAVG: 4378800 8.20111 -6.20061 -7.85553 -6.20062 -40.0484 -27.3318 -7.85545 -27.3318 -0.54268 GPRESSAVG: 4378800 8.446 -6.47382 -7.65709 -4.89834 -40.4527 -26.8562 -9.45134 -28.9675 -0.00398057 TIMING: 4378800 CPU: 13896.1, 0.00315671/step Wall: 13896.1, 0.00315671/step, 0.544708 hours remaining, 240.675781 MB of memory in use. ENERGY: 4378800 3933.5606 20481.2728 14529.7218 267.6201 -203860.9451 2748.5241 0.0000 0.0000 52002.0759 -109898.1697 298.8566 -161900.2456 -109543.3534 298.7662 98.1103 129.7503 759709.8433 -10.7967 -10.6702 PRESSURE: 4379000 40.9149 94.5461 -100.709 94.5468 462.726 -110.898 -100.709 -110.898 596.271 GPRESSURE: 4379000 -2.3943 172.677 -239.843 -73.5105 541.9 -48.4564 0.333698 -104.226 636.939 PRESSAVG: 4379000 -53.6002 41.5119 -25.286 41.5119 54.9336 7.36061 -25.286 7.36059 -5.4103 GPRESSAVG: 4379000 -54.1242 42.3502 -24.3256 40.4799 54.5049 6.56983 -25.1528 7.43159 -4.59453 TIMING: 4379000 CPU: 13896.7, 0.00314487/step Wall: 13896.7, 0.00314487/step, 0.542491 hours remaining, 240.675781 MB of memory in use. ENERGY: 4379000 3865.6883 20586.6129 14508.4147 237.9745 -203821.2039 2908.3811 0.0000 0.0000 51744.1950 -109969.9374 297.3746 -161714.1323 -109609.1893 298.1085 366.6374 392.1483 760960.8079 -1.3590 -1.4046 PRESSURE: 4379200 -188.087 -117.356 -71.604 -117.356 359.947 135.197 -71.6041 135.198 215.952 GPRESSURE: 4379200 -76.0502 -83.8302 -96.5009 4.68871 345.025 120.826 -4.66692 92.1012 207.114 PRESSAVG: 4379200 -45.6339 -19.868 -49.6678 -19.868 -22.0668 -22.2354 -49.6678 -22.2353 17.3565 GPRESSAVG: 4379200 -44.7721 -22.9642 -50.0468 -16.3064 -22.4455 -20.2785 -48.6942 -22.3864 17.2166 TIMING: 4379200 CPU: 13897.4, 0.00314018/step Wall: 13897.4, 0.00314018/step, 0.541507 hours remaining, 240.675781 MB of memory in use. ENERGY: 4379200 3952.8245 20251.8711 14522.7871 252.7438 -203726.3363 2754.0189 0.0000 0.0000 52255.5789 -109736.5120 300.3135 -161992.0909 -109362.4994 298.2019 129.2706 158.6963 760433.1924 -16.7814 -16.6670 PRESSURE: 4379400 -286.328 -96.9664 -238.572 -96.9666 -305.762 22.988 -238.572 22.9875 -115.645 GPRESSURE: 4379400 -231.113 -140.539 -208.917 -87.6397 -242.074 42.2947 -163.825 98.9005 -146.987 PRESSAVG: 4379400 -7.60131 -59.318 2.0715 -59.3181 37.377 -7.43911 2.07149 -7.43916 10.676 GPRESSAVG: 4379400 -8.55812 -56.9496 1.93072 -61.6032 39.1212 -9.18593 0.260708 -8.61473 9.95448 TIMING: 4379400 CPU: 13898, 0.00316197/step Wall: 13898, 0.00316197/step, 0.545089 hours remaining, 240.675781 MB of memory in use. ENERGY: 4379400 3941.4436 20485.5813 14547.0701 276.3847 -203573.7715 2436.9418 0.0000 0.0000 52224.3820 -109661.9680 300.1342 -161886.3500 -109290.5410 298.9135 -235.9117 -206.7250 760156.1770 13.4839 13.5059 PRESSURE: 4379600 -113.433 -43.9178 -158.707 -43.9178 -295.817 -83.308 -158.707 -83.3077 100.879 GPRESSURE: 4379600 -44.7503 -84.68 -204.479 -91.5786 -356.448 -42.663 -195.293 -163.11 181.947 PRESSAVG: 4379600 -65.1754 -62.5078 -38.6741 -62.5078 -19.695 -1.21468 -38.6742 -1.21465 -0.0901394 GPRESSAVG: 4379600 -65.0646 -63.158 -39.3648 -62.7605 -21.0124 -0.576972 -35.0245 3.80156 1.2743 TIMING: 4379600 CPU: 13898.6, 0.00315036/step Wall: 13898.6, 0.00315036/step, 0.542911 hours remaining, 240.675781 MB of memory in use. ENERGY: 4379600 3991.3042 20494.6152 14521.2755 271.6204 -203502.6447 2546.9382 0.0000 0.0000 52037.0246 -109639.8666 299.0575 -161676.8912 -109277.0722 298.7868 -102.7903 -73.0836 762635.2054 -28.3202 -28.2676 PRESSURE: 4379800 -511.141 29.3142 84.6231 29.3143 -38.0734 -13.2932 84.6233 -13.2931 -308.759 GPRESSURE: 4379800 -432.018 31.8718 78.9332 37.1686 1.41069 -2.24738 16.7704 20.782 -355.591 PRESSAVG: 4379800 -34.7665 -75.0837 -37.7124 -75.0838 40.5415 0.125003 -37.7124 0.124975 8.65069 GPRESSAVG: 4379800 -34.3613 -74.6906 -37.669 -75.9775 42.2324 0.233108 -39.4888 -1.82434 6.4309 TIMING: 4379800 CPU: 13899.3, 0.00317366/step Wall: 13899.3, 0.00317366/step, 0.546751 hours remaining, 240.675781 MB of memory in use. ENERGY: 4379800 4042.9320 20444.5886 14506.2649 256.4781 -203360.5408 2427.8807 0.0000 0.0000 52183.9668 -109498.4295 299.9020 -161682.3963 -109125.0351 299.5305 -285.9910 -262.0661 761279.4468 4.8085 4.7673 PRESSURE: 4380000 95.235 -83.7263 -62.2323 -83.7263 616.968 -200.098 -62.2317 -200.097 245.85 GPRESSURE: 4380000 204.411 -73.1353 -75.9699 -176.429 620.324 -184.893 -174.828 -131.793 212.828 PRESSAVG: 4380000 -13.2637 -66.5764 16.3017 -66.5764 28.9259 -59.1021 16.3018 -59.1021 16.4264 GPRESSAVG: 4380000 -14.4625 -66.8539 17.0022 -66.9998 27.4583 -58.9861 15.5721 -58.3953 19.0593 TIMING: 4380000 CPU: 13899.9, 0.00317026/step Wall: 13899.9, 0.00317026/step, 0.54599 hours remaining, 240.675781 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: 4380000 4051.6555 20456.9665 14505.7593 241.5106 -203710.1547 2758.4184 0.0000 0.0000 52323.9972 -109371.8473 300.7067 -161695.8445 -109006.1945 299.9656 319.3510 345.8543 760175.2400 10.6962 10.6850 PRESSURE: 4380200 -320.398 2.29474 331.44 2.29485 90.9068 -103.024 331.44 -103.023 -203.964 GPRESSURE: 4380200 -285.063 -69.0684 272.832 -78.8673 73.7236 34.6543 281.846 -125.149 -148.423 PRESSAVG: 4380200 -34.0422 -61.4625 51.1363 -61.4625 -16.7911 -28.9306 51.1363 -28.9307 5.98816 GPRESSAVG: 4380200 -32.5013 -63.2065 50.509 -60.9283 -16.764 -28.9335 51.1757 -29.2592 4.2282 TIMING: 4380200 CPU: 13900.5, 0.00316173/step Wall: 13900.5, 0.00316173/step, 0.544345 hours remaining, 240.675781 MB of memory in use. ENERGY: 4380200 3977.3631 20514.9526 14528.7561 252.9233 -203421.2657 2562.5046 0.0000 0.0000 51997.5943 -109587.1719 298.8309 -161584.7661 -109229.7833 299.3944 -144.4853 -119.9208 761419.5047 -14.9484 -15.0124 LDB: ============= START OF LOAD BALANCING ============== 13913 LDB: ============== END OF LOAD BALANCING =============== 13913 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13913 LDB: ============= START OF LOAD BALANCING ============== 13913.3 LDB: Largest compute 7037 load 0.034693 is 17.7% of average load 0.195487 LDB: Average compute 0.004397 is 2.2% of average load 0.195487 LDB: TIME 13913.3 LOAD: AVG 0.195487 MAX 0.2166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.891 MB LDB: TIME 13913.3 LOAD: AVG 0.195487 MAX 0.2166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.965 MB LDB: TIME 13913.3 LOAD: AVG 0.195487 MAX 0.2166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.965 MB LDB: ============== END OF LOAD BALANCING =============== 13913.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13913.3 PRESSURE: 4380400 -335.749 -111.319 93.9965 -111.319 -114.45 -112.771 93.9968 -112.771 -215.888 GPRESSURE: 4380400 -304.616 -134.99 124.522 -25.0712 -105.27 -212.75 102.126 -124.67 -150.143 PRESSAVG: 4380400 -7.60404 -71.9677 17.6454 -71.9677 -41.2958 -25.5711 17.6454 -25.571 13.9219 GPRESSAVG: 4380400 -8.01363 -70.1896 18.7015 -71.2947 -39.7119 -27.4791 18.5836 -25.8048 13.5813 TIMING: 4380400 CPU: 13901.2, 0.0032261/step Wall: 13901.2, 0.0032261/step, 0.555248 hours remaining, 239.632812 MB of memory in use. ENERGY: 4380400 3988.2911 20601.5676 14495.8280 255.0459 -203274.6008 2568.1740 0.0000 0.0000 51672.2438 -109693.4505 296.9611 -161365.6943 -109327.8281 298.9491 -222.0289 -186.6764 761380.6475 -11.6593 -11.3814 PRESSURE: 4380600 126.171 -20.2704 -46.7736 -20.2714 121.383 -85.9763 -46.7741 -85.9767 273.117 GPRESSURE: 4380600 210.675 17.8279 -147.042 -181.017 78.9452 -86.1736 -42.9354 51.1854 312.009 PRESSAVG: 4380600 -54.4356 -88.0532 6.88353 -88.0532 29.4324 0.0856299 6.88352 0.0856204 10.096 GPRESSAVG: 4380600 -53.8675 -87.7501 6.44516 -88.8042 28.3367 1.73978 6.14723 -1.66357 10.6726 TIMING: 4380600 CPU: 13901.8, 0.00317878/step Wall: 13901.8, 0.00317878/step, 0.546927 hours remaining, 239.835938 MB of memory in use. ENERGY: 4380600 4083.6179 20532.4405 14477.3409 253.4505 -203945.0189 2829.9074 0.0000 0.0000 52033.1242 -109735.1376 299.0351 -161768.2618 -109384.9104 298.8178 173.5571 200.5432 759210.7151 -4.9691 -4.9528 PRESSURE: 4380800 -451.243 97.9548 -143.589 97.9556 -283.1 155.113 -143.589 155.113 80.2676 GPRESSURE: 4380800 -410.323 80.8371 -102.759 215.802 -202.673 150.734 -77.8345 176.057 39.3457 PRESSAVG: 4380800 -48.0086 -13.7874 -9.94792 -13.7875 28.4408 4.66118 -9.94793 4.66116 3.82163 GPRESSAVG: 4380800 -49.7256 -15.0166 -8.89465 -10.8408 30.7721 4.33457 -11.9699 5.91193 3.67827 TIMING: 4380800 CPU: 13902.4, 0.00317559/step Wall: 13902.4, 0.00317559/step, 0.546201 hours remaining, 239.835938 MB of memory in use. ENERGY: 4380800 4013.1270 20408.3004 14473.8626 251.0661 -203422.7893 2552.4838 0.0000 0.0000 52101.5117 -109622.4377 299.4281 -161723.9494 -109251.0094 299.4158 -218.0252 -191.2169 760904.9023 -5.2487 -5.0917 PRESSURE: 4381000 8.57374 -23.0509 130.735 -23.051 576.862 130.208 130.735 130.208 249.38 GPRESSURE: 4381000 74.001 -6.99062 69.0343 45.854 596.033 169.232 155.325 188.043 227.359 PRESSAVG: 4381000 -13.2405 -54.4258 10.6665 -54.4258 33.4 -0.281233 10.6666 -0.281148 9.10523 GPRESSAVG: 4381000 -11.6706 -53.4093 9.6654 -55.8212 31.2891 0.154289 10.3509 -1.13878 9.58997 TIMING: 4381000 CPU: 13903.1, 0.00316181/step Wall: 13903.1, 0.00316181/step, 0.543655 hours remaining, 239.835938 MB of memory in use. ENERGY: 4381000 3968.5979 20508.8192 14548.9714 254.2310 -203784.2899 2917.5258 0.0000 0.0000 52068.5387 -109517.6060 299.2386 -161586.1446 -109154.4337 299.2566 278.2718 299.1309 760085.1817 9.7549 9.7361 PRESSURE: 4381200 9.68346 103.41 -141.47 103.409 -333.348 78.803 -141.469 78.8027 -59.242 GPRESSURE: 4381200 80.823 88.1919 -113.422 57.9282 -355.421 28.8587 19.7683 -9.26861 -37.4416 PRESSAVG: 4381200 -26.5366 -24.0227 3.43548 -24.0227 14.636 22.4793 3.4354 22.4793 8.53946 GPRESSAVG: 4381200 -24.332 -25.4918 2.88404 -23.6568 13.5976 22.9945 7.88438 22.941 8.29498 TIMING: 4381200 CPU: 13903.7, 0.00315871/step Wall: 13903.7, 0.00315871/step, 0.542948 hours remaining, 239.835938 MB of memory in use. ENERGY: 4381200 4013.2977 20639.0104 14471.4282 230.9625 -203278.8271 2493.5387 0.0000 0.0000 52174.1439 -109256.4457 299.8455 -161430.5896 -108899.3032 299.7051 -127.6356 -104.0133 761545.5010 -1.1204 -0.8131 PRESSURE: 4381400 354.317 87.6072 -274.9 87.6055 536.935 105.482 -274.9 105.483 424.131 GPRESSURE: 4381400 372.629 21.7102 -337.72 61.7244 497.355 39.053 -391.171 152.934 537.028 PRESSAVG: 4381400 36.5534 -21.2355 13.5403 -21.2354 -34.8652 -36.9867 13.5403 -36.9866 19.1981 GPRESSAVG: 4381400 34.0566 -21.462 13.2702 -23.081 -32.5903 -36.0908 10.9148 -38.312 19.797 TIMING: 4381400 CPU: 13904.3, 0.00317552/step Wall: 13904.3, 0.00317552/step, 0.54566 hours remaining, 239.835938 MB of memory in use. ENERGY: 4381400 3903.3162 20481.5658 14470.1476 243.7691 -203178.5783 2624.0593 0.0000 0.0000 52109.9185 -109345.8017 299.4764 -161455.7202 -108980.4416 300.0360 438.4611 469.0039 760835.9266 6.9621 7.0877 PRESSURE: 4381600 58.1102 -322.203 142.246 -322.202 -392.225 -110.823 142.247 -110.823 -171.443 GPRESSURE: 4381600 112.573 -342.435 172.105 -174.571 -330.529 -60.2102 94.5085 -195.671 -186.42 PRESSAVG: 4381600 21.6022 -22.2189 -49.8557 -22.2188 45.5039 -10.4173 -49.8558 -10.4173 -13.6639 GPRESSAVG: 4381600 22.6524 -20.336 -48.7394 -19.9065 44.6995 -9.7618 -50.066 -10.4377 -14.338 TIMING: 4381600 CPU: 13905, 0.00317145/step Wall: 13905, 0.00317145/step, 0.544784 hours remaining, 239.835938 MB of memory in use. ENERGY: 4381600 3970.5970 20398.6533 14573.2218 248.0267 -203490.1739 2563.4033 0.0000 0.0000 52176.5021 -109559.7696 299.8591 -161736.2717 -109192.6235 299.6862 -168.5192 -134.7920 762101.2979 17.8141 17.6713 PRESSURE: 4381800 -16.3718 63.0353 60.4151 63.0356 -166.873 56.667 60.415 56.6664 82.8195 GPRESSURE: 4381800 29.5562 -7.61316 106.249 172.971 -128.635 74.8739 -3.17377 40.5307 55.0524 PRESSAVG: 4381800 -19.1585 -26.9254 -46.7091 -26.9254 -45.5269 -4.69838 -46.7091 -4.69836 -5.1356 GPRESSAVG: 4381800 -21.0739 -27.9391 -46.3293 -27.6735 -45.5023 -7.93848 -46.7842 -3.99404 -3.83214 TIMING: 4381800 CPU: 13905.6, 0.00317855/step Wall: 13905.6, 0.00317855/step, 0.545828 hours remaining, 239.835938 MB of memory in use. ENERGY: 4381800 3982.6566 20547.5659 14496.3860 263.2094 -203278.9736 2609.2081 0.0000 0.0000 51869.1168 -109510.8307 298.0925 -161379.9476 -109146.0445 299.0229 -33.4750 -14.6754 761007.2303 -23.2737 -23.4695 PRESSURE: 4382000 -99.0141 -110.916 8.29094 -110.915 -152.962 -44.0443 8.29045 -44.0446 323.121 GPRESSURE: 4382000 -77.1425 -100.914 55.5761 -9.0599 -98.3645 2.5585 -1.57261 -23.2154 338.663 PRESSAVG: 4382000 -9.54552 -25.8509 -17.719 -25.8509 -3.32747 29.8971 -17.719 29.897 15.0078 GPRESSAVG: 4382000 -8.48443 -25.9726 -15.6063 -26.0742 -3.987 32.0149 -17.8248 29.5722 14.4176 TIMING: 4382000 CPU: 13906.2, 0.00315379/step Wall: 13906.2, 0.00315379/step, 0.541401 hours remaining, 239.835938 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: 4382000 4003.1591 20529.6566 14509.9374 258.5916 -203446.4814 2804.9216 0.0000 0.0000 51880.7854 -109459.4298 298.1596 -161340.2152 -109104.5912 299.4057 23.7148 54.3852 760785.6291 0.7116 0.6487 PRESSURE: 4382200 -276.89 -157.154 -10.0197 -157.154 -132.127 -150.639 -10.0202 -150.64 108.178 GPRESSURE: 4382200 -241.05 -119.491 -61.7985 -233.121 -58.2551 -101.026 -110.432 -36.4358 78.9007 PRESSAVG: 4382200 -45.9204 -47.1991 28.2569 -47.1991 56.2437 0.129689 28.2569 0.129733 -3.48607 GPRESSAVG: 4382200 -44.9946 -46.5844 25.0013 -46.433 55.2723 -1.64571 29.1489 0.980126 -3.65519 TIMING: 4382200 CPU: 13906.9, 0.00316104/step Wall: 13906.9, 0.00316104/step, 0.542469 hours remaining, 239.835938 MB of memory in use. ENERGY: 4382200 4029.2598 20390.2336 14483.0942 258.0577 -203067.7621 2471.7805 0.0000 0.0000 52130.4541 -109304.8822 299.5944 -161435.3364 -108943.3117 299.6214 -100.2796 -73.4681 760825.5374 2.2791 2.2075 PRESSURE: 4382400 -204.524 -151.143 55.6786 -151.143 -223.881 -69.6399 55.6786 -69.6409 7.40754 GPRESSURE: 4382400 -157.179 -179.631 66.2212 -144.459 -132.358 -89.0885 -56.4394 -47.6859 -73.0466 PRESSAVG: 4382400 17.1558 -82.5616 14.5506 -82.5617 -63.2838 -11.7796 14.5506 -11.7795 14.4186 GPRESSAVG: 4382400 16.8565 -82.8134 16.1947 -83.5399 -62.6643 -9.17085 11.382 -13.4417 13.4283 TIMING: 4382400 CPU: 13907.5, 0.00316652/step Wall: 13907.5, 0.00316652/step, 0.543233 hours remaining, 239.835938 MB of memory in use. ENERGY: 4382400 3989.6042 20439.5165 14515.9231 250.3166 -202957.1869 2410.6075 0.0000 0.0000 52084.6411 -109266.5778 299.3311 -161351.2190 -108909.4550 299.5941 -140.3324 -120.8611 761129.0424 -10.5698 -10.7932 PRESSURE: 4382600 -447.311 -52.2601 -316.926 -52.26 -496.267 96.764 -316.927 96.7642 -448.875 GPRESSURE: 4382600 -433.976 -97.4026 -378.352 -113.644 -461.528 77.1555 -131.883 55.0639 -417.803 PRESSAVG: 4382600 -29.3329 -47.7445 -34.1039 -47.7444 9.98181 -28.1647 -34.104 -28.1647 8.06008 GPRESSAVG: 4382600 -30.4004 -48.119 -35.9392 -45.838 11.221 -29.8712 -29.7672 -26.5232 8.26605 TIMING: 4382600 CPU: 13908.1, 0.00315484/step Wall: 13908.1, 0.00315484/step, 0.541056 hours remaining, 239.835938 MB of memory in use. ENERGY: 4382600 4003.3113 20535.3208 14452.4657 268.4762 -202882.0161 2332.9045 0.0000 0.0000 52061.3408 -109228.1968 299.1972 -161289.5376 -108871.0496 299.7340 -464.1509 -437.7691 762058.2458 -3.7637 -3.6378 PRESSURE: 4382800 -151.519 -314.753 162.354 -314.752 -169.866 54.6933 162.354 54.6937 -265.834 GPRESSURE: 4382800 -154.89 -272.782 204.838 -405.116 -200.767 -6.96263 -44.8439 45.7709 -168.865 PRESSAVG: 4382800 38.213 -60.2909 33.9715 -60.2909 -59.4381 -9.20459 33.9716 -9.2046 1.40028 GPRESSAVG: 4382800 38.5378 -58.6492 33.0104 -62.692 -60.6033 -7.76 32.2121 -10.8966 1.67436 TIMING: 4382800 CPU: 13908.8, 0.00315431/step Wall: 13908.8, 0.00315431/step, 0.540789 hours remaining, 239.835938 MB of memory in use. ENERGY: 4382800 4037.1909 20420.6956 14591.2201 243.9063 -203238.1601 2585.6604 0.0000 0.0000 52024.8450 -109334.6418 298.9875 -161359.4868 -108979.4507 299.7602 -195.7397 -174.8408 760197.1260 -6.6083 -6.7970 PRESSURE: 4383000 60.899 75.2646 187.108 75.2642 -278.136 170.309 187.108 170.309 206.136 GPRESSURE: 4383000 183.543 34.234 228.292 87.7079 -218.231 154.422 154.543 41.4289 98.3929 PRESSAVG: 4383000 14.0498 -19.4205 4.98312 -19.4205 20.2352 12.0766 4.98317 12.0767 -16.2799 GPRESSAVG: 4383000 14.5777 -22.1084 7.2819 -17.8446 19.953 9.29828 2.21906 12.195 -15.9323 TIMING: 4383000 CPU: 13909.4, 0.0031839/step Wall: 13909.4, 0.0031839/step, 0.545684 hours remaining, 239.835938 MB of memory in use. ENERGY: 4383000 3982.6040 20406.7632 14484.7941 244.5542 -203295.3923 2417.0906 0.0000 0.0000 52244.6193 -109514.9667 300.2505 -161759.5860 -109159.0029 299.5899 -3.7003 21.2349 759275.7038 6.0017 6.1995 PRESSURE: 4383200 33.7624 79.8362 20.048 79.8358 259.017 -407.215 20.0483 -407.215 -213.19 GPRESSURE: 4383200 148.369 -3.10469 -4.38342 79.0743 234.019 -411.57 30.6346 -268.426 -240.174 PRESSAVG: 4383200 -42.1325 -33.3839 -21.9181 -33.3838 4.54056 10.2742 -21.918 10.2742 2.73792 GPRESSAVG: 4383200 -42.1969 -32.6085 -23.0209 -33.6411 4.76328 12.2651 -20.1012 12.2118 2.38419 TIMING: 4383200 CPU: 13910, 0.00315823/step Wall: 13910, 0.00315823/step, 0.54111 hours remaining, 239.835938 MB of memory in use. ENERGY: 4383200 3966.7634 20438.7187 14492.6015 247.5843 -203270.6548 2376.2048 0.0000 0.0000 51915.7669 -109833.0151 298.3606 -161748.7820 -109473.4432 298.7700 26.5296 47.4047 760348.1067 -11.6180 -11.6831 PRESSURE: 4383400 131.485 -104.876 -304.003 -104.876 -123.817 -4.33657 -304.003 -4.33796 75.5599 GPRESSURE: 4383400 94.5513 -50.821 -317.576 -195.25 -10.1588 34.1779 -261.167 -19.7908 97.0491 PRESSAVG: 4383400 -1.6171 -13.0353 -30.987 -13.0353 -3.04538 -36.8102 -30.9871 -36.8101 12.8218 GPRESSAVG: 4383400 -1.64047 -12.747 -29.9647 -14.3096 -3.68605 -35.4988 -32.3169 -38.1052 13.0193 TIMING: 4383400 CPU: 13910.7, 0.00316284/step Wall: 13910.7, 0.00316284/step, 0.541724 hours remaining, 239.835938 MB of memory in use. ENERGY: 4383400 3963.3727 20322.7792 14509.6773 255.1059 -203928.2436 2650.4551 0.0000 0.0000 52263.5977 -109963.2557 300.3596 -162226.8534 -109597.9785 298.1846 27.7428 60.4805 758098.8756 2.7198 2.5642 PRESSURE: 4383600 -220.33 -98.1253 -52.7673 -98.1252 156.82 -164.174 -52.7681 -164.174 -153.34 GPRESSURE: 4383600 -77.6481 -19.9831 -106.128 -28.9258 68.9161 -156.09 130.272 -191.989 -94.8533 PRESSAVG: 4383600 -16.6819 -57.0571 -39.899 -57.0571 13.324 -26.3705 -39.899 -26.3705 -15.318 GPRESSAVG: 4383600 -16.5737 -57.801 -42.1682 -52.9791 13.6497 -28.4232 -35.3164 -24.5517 -15.4408 TIMING: 4383600 CPU: 13911.3, 0.00315332/step Wall: 13911.3, 0.00315332/step, 0.539919 hours remaining, 239.835938 MB of memory in use. ENERGY: 4383600 3940.4683 20432.5020 14541.4651 231.3857 -203446.7693 2476.4376 0.0000 0.0000 52030.2874 -109794.2233 299.0188 -161824.5106 -109426.4784 298.6355 -72.2832 -34.5284 759540.7900 -6.2253 -6.1216 PRESSURE: 4383800 -38.9834 18.7188 122.97 18.7204 -382.065 147.921 122.97 147.921 274.294 GPRESSURE: 4383800 -70.3161 -38.0009 52.5804 -78.4544 -304.118 136.458 61.1388 210.01 328.119 PRESSAVG: 4383800 12.7719 -3.04853 -13.1537 -3.04855 10.3003 16.3 -13.1537 16.3001 -13.8133 GPRESSAVG: 4383800 12.531 -1.25597 -10.815 -7.42314 10.6301 17.1461 -15.5496 15.5629 -14.0709 TIMING: 4383800 CPU: 13911.9, 0.00315674/step Wall: 13911.9, 0.00315674/step, 0.540329 hours remaining, 239.835938 MB of memory in use. ENERGY: 4383800 4045.2733 20518.8502 14512.7844 245.0880 -203853.3980 2705.5583 0.0000 0.0000 52137.4636 -109688.3801 299.6347 -161825.8437 -109326.3493 299.1121 -48.9180 -15.4383 759207.2259 3.0863 3.0301 PRESSURE: 4384000 -52.0455 -127.943 16.3795 -127.943 -195.957 -128.465 16.3791 -128.464 -161.362 GPRESSURE: 4384000 -28.0177 -79.1078 28.3801 -72.3996 -117.936 -105.02 36.9229 -158.894 -181.522 PRESSAVG: 4384000 26.8948 -16.5938 -47.7975 -16.5938 -14.3349 0.98257 -47.7976 0.98255 -2.47527 GPRESSAVG: 4384000 26.7231 -18.5596 -48.7596 -14.6821 -13.9424 1.02769 -50.2226 1.41159 -2.10464 TIMING: 4384000 CPU: 13912.6, 0.00315668/step Wall: 13912.6, 0.00315668/step, 0.540142 hours remaining, 239.835938 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: 4384000 3976.8120 20527.0157 14499.3496 252.6782 -203842.7327 2495.1462 0.0000 0.0000 52172.7698 -109918.9613 299.8376 -162091.7311 -109564.1265 298.8307 -136.4548 -109.1585 759152.7052 3.3615 3.5587 PRESSURE: 4384200 -57.8281 6.37956 -113.675 6.38023 -48.4373 143.218 -113.675 143.219 195.457 GPRESSURE: 4384200 45.7632 -44.0911 -13.6509 84.2621 -124.004 169.089 -18.3816 168.522 245.456 PRESSAVG: 4384200 23.3143 -17.9876 -35.0653 -17.9876 -3.58434 36.8968 -35.0652 36.8968 -15.5359 GPRESSAVG: 4384200 24.1108 -17.0642 -35.108 -18.4195 -5.0002 36.509 -34.5718 35.7893 -14.8113 TIMING: 4384200 CPU: 13913.2, 0.00316592/step Wall: 13913.2, 0.00316592/step, 0.541548 hours remaining, 239.835938 MB of memory in use. ENERGY: 4384200 3995.0007 20391.0188 14490.3528 266.9940 -203440.2471 2393.9300 0.0000 0.0000 51980.1579 -109922.7928 298.7307 -161902.9507 -109558.1908 298.0439 29.7304 55.7385 759325.5041 1.3980 1.4331 LDB: ============= START OF LOAD BALANCING ============== 13925.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13925.7 LDB: =============== DONE WITH MIGRATION ================ 13925.7 LDB: ============= START OF LOAD BALANCING ============== 13926 LDB: Largest compute 7031 load 0.036369 is 18.6% of average load 0.195370 LDB: Average compute 0.004397 is 2.3% of average load 0.195370 LDB: TIME 13926 LOAD: AVG 0.19537 MAX 0.213575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 13926 LOAD: AVG 0.19537 MAX 0.213575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: TIME 13926 LOAD: AVG 0.19537 MAX 0.213575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.703 MB LDB: ============== END OF LOAD BALANCING =============== 13926 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13926 Info: useSync: 0 useProxySync: 0 PRESSURE: 4384400 -97.0378 33.4282 -42.4994 33.4282 -188.168 128.307 -42.499 128.306 -444.401 GPRESSURE: 4384400 -125.563 -11.0863 -62.089 17.7 -118.602 123.985 102.485 159.565 -395.276 PRESSAVG: 4384400 -12.6577 -58.7688 -25.7487 -58.7687 -12.0704 71.7267 -25.7487 71.7267 7.73969 GPRESSAVG: 4384400 -12.0825 -58.5686 -26.656 -62.1057 -10.7701 71.0733 -22.8714 72.4166 6.13347 TIMING: 4384400 CPU: 13913.8, 0.0032134/step Wall: 13913.8, 0.0032134/step, 0.549492 hours remaining, 242.406250 MB of memory in use. ENERGY: 4384400 4009.4330 20375.5956 14552.0099 235.2283 -203562.9111 2371.1592 0.0000 0.0000 52078.3566 -109941.1284 299.2950 -162019.4850 -109580.4740 298.5170 -243.2023 -213.1469 759921.6375 -5.6628 -5.5731 PRESSURE: 4384600 -127.65 138.675 -113.357 138.675 -175.274 90.7405 -113.357 90.7395 -58.8988 GPRESSURE: 4384600 -71.158 120.749 -146.09 200.365 -113.244 106.896 -218.813 53.9514 -85.011 PRESSAVG: 4384600 13.1837 -42.1365 -29.019 -42.1365 10.3624 16.2824 -29.019 16.2824 8.91648 GPRESSAVG: 4384600 12.9579 -43.3808 -28.5835 -38.6675 8.95226 17.9908 -31.018 15.5323 9.73284 TIMING: 4384600 CPU: 13914.5, 0.00317794/step Wall: 13914.5, 0.00317794/step, 0.543251 hours remaining, 242.609375 MB of memory in use. ENERGY: 4384600 4032.0504 20466.9944 14451.9225 252.4234 -203461.0788 2530.0184 0.0000 0.0000 52008.4461 -109719.2237 298.8933 -161727.6697 -109359.2282 298.7858 -120.6076 -89.8043 760344.6691 10.8208 10.5477 PRESSURE: 4384800 -28.0526 -398.22 -56.5559 -398.221 23.5872 118.057 -56.5563 118.057 -95.0805 GPRESSURE: 4384800 102.717 -228.809 7.74239 -333.379 -37.5005 36.5859 -105.804 140.015 -81.8986 PRESSAVG: 4384800 29.1059 -61.972 30.8865 -61.972 -28.4539 22.3881 30.8865 22.3881 6.06006 GPRESSAVG: 4384800 28.4812 -60.8257 32.3191 -61.7638 -27.1924 21.9063 31.8077 23.7777 5.28159 TIMING: 4384800 CPU: 13915.1, 0.00319844/step Wall: 13915.1, 0.00319844/step, 0.546578 hours remaining, 242.609375 MB of memory in use. ENERGY: 4384800 3933.8255 20344.9329 14420.9447 257.9041 -203474.6313 2504.8369 0.0000 0.0000 52001.7333 -110010.4538 298.8547 -162012.1871 -109631.0673 298.5077 -33.1820 -5.5606 760756.7198 2.2373 2.1901 PRESSURE: 4385000 203.437 -3.78705 -18.3317 -3.78692 -257.59 -184.938 -18.3322 -184.938 -359.011 GPRESSURE: 4385000 199.576 30.9759 1.63772 4.22519 -218.424 -216.46 -52.8995 -40.0507 -328.474 PRESSAVG: 4385000 6.94909 -62.4193 3.38917 -62.4193 -6.09006 26.0957 3.38921 26.0957 4.57426 GPRESSAVG: 4385000 7.28847 -63.0135 2.20588 -62.0887 -6.20308 27.1409 1.92775 24.1286 4.19809 TIMING: 4385000 CPU: 13915.8, 0.00320299/step Wall: 13915.8, 0.00320299/step, 0.547177 hours remaining, 242.609375 MB of memory in use. ENERGY: 4385000 4075.3362 20406.1965 14414.2056 242.6102 -203577.1336 2475.8507 0.0000 0.0000 51990.3535 -109972.5808 298.7893 -161962.9343 -109622.6319 298.2064 -137.7210 -115.7742 760893.2609 1.8111 1.7612 PRESSURE: 4385200 367.593 -286.894 164.704 -286.894 37.5252 -208.199 164.703 -208.199 -264.552 GPRESSURE: 4385200 318.967 -334.254 229.69 -229.39 160.778 -180.668 7.03833 -139.982 -262.903 PRESSAVG: 4385200 40.543 -39.8269 62.7394 -39.8269 -58.6558 28.1146 62.7393 28.1148 19.0694 GPRESSAVG: 4385200 40.0482 -39.4423 64.4857 -41.857 -58.2698 27.2574 62.7042 30.2804 18.9903 TIMING: 4385200 CPU: 13916.4, 0.00321186/step Wall: 13916.4, 0.00321186/step, 0.548515 hours remaining, 242.609375 MB of memory in use. ENERGY: 4385200 4053.8934 20395.7507 14470.3542 265.5056 -203576.0254 2556.9919 0.0000 0.0000 51900.4238 -109933.1058 298.2724 -161833.5296 -109572.7022 298.7013 46.8555 72.2807 759201.9572 0.3189 0.2562 PRESSURE: 4385400 -13.6242 185.981 -66.4324 185.982 -206.502 -92.7526 -66.4327 -92.7524 -206.166 GPRESSURE: 4385400 61.9809 91.3739 -58.1218 136.976 -235.405 -137.689 -111.118 -125.665 -177.662 PRESSAVG: 4385400 -3.42991 -87.5837 -12.8826 -87.5837 -37.0484 19.087 -12.8826 19.087 12.4567 GPRESSAVG: 4385400 -3.09629 -87.1119 -12.9102 -88.3725 -38.359 19.0751 -14.3161 16.6798 12.9311 TIMING: 4385400 CPU: 13917, 0.00319182/step Wall: 13917, 0.00319182/step, 0.544915 hours remaining, 242.609375 MB of memory in use. ENERGY: 4385400 4018.2147 20488.2319 14486.5988 251.0347 -203382.2887 2419.8923 0.0000 0.0000 51951.1706 -109767.1458 298.5641 -161718.3163 -109411.3113 298.6523 -142.0975 -117.0288 761798.7467 -9.3405 -9.5081 PRESSURE: 4385600 -152.813 61.5792 44.0662 61.5791 53.2533 -221.586 44.0665 -221.586 180.743 GPRESSURE: 4385600 -77.0996 142.287 126.361 -45.9915 191.829 -258.216 72.1065 -111.164 61.1974 PRESSAVG: 4385600 13.343 -39.0647 18.4257 -39.0647 -7.949 -15.8317 18.4257 -15.8316 -3.42324 GPRESSAVG: 4385600 13.8233 -40.6389 18.6276 -36.0037 -6.9986 -15.8136 23.0613 -14.6366 -3.79557 TIMING: 4385600 CPU: 13917.7, 0.0032061/step Wall: 13917.7, 0.0032061/step, 0.547174 hours remaining, 242.609375 MB of memory in use. ENERGY: 4385600 4008.4736 20496.6256 14547.1042 285.3718 -203647.6208 2583.6946 0.0000 0.0000 52016.3660 -109709.9850 298.9388 -161726.3510 -109351.6306 298.6891 27.0610 58.6424 759425.4677 0.6569 1.0097 PRESSURE: 4385800 4.19363 72.1373 -150.498 72.1368 -124.532 141.206 -150.497 141.206 -128.437 GPRESSURE: 4385800 -63.6079 36.5096 -115.604 -41.2144 -18.3965 171.114 -208.323 85.2986 -72.1618 PRESSAVG: 4385800 3.75989 -72.0179 -21.8458 -72.0179 -32.3907 -27.0635 -21.8457 -27.0635 16.3767 GPRESSAVG: 4385800 2.40329 -70.8002 -22.1432 -73.6299 -31.8343 -25.878 -23.2478 -27.0751 16.8851 TIMING: 4385800 CPU: 13918.3, 0.00315663/step Wall: 13918.3, 0.00315662/step, 0.538555 hours remaining, 242.609375 MB of memory in use. ENERGY: 4385800 3980.9772 20716.7580 14505.1584 255.2406 -203203.6020 2159.1438 0.0000 0.0000 51881.1805 -109705.1435 298.1619 -161586.3240 -109340.5316 298.8344 -82.9252 -51.3887 759490.9790 -4.0847 -4.1820 PRESSURE: 4386000 -131.328 -103.034 15.7387 -103.035 -355.265 -111.213 15.7391 -111.214 -188.38 GPRESSURE: 4386000 -128.163 -72.3301 -36.2798 -53.7017 -346.85 -187.19 -102.933 -138.906 -112.213 PRESSAVG: 4386000 7.03814 -32.7445 -47.3991 -32.7446 -16.8552 18.0105 -47.3991 18.0105 -12.5524 GPRESSAVG: 4386000 6.91966 -32.6504 -46.9701 -32.6746 -16.7066 18.46 -44.7061 17.7651 -12.4739 TIMING: 4386000 CPU: 13918.9, 0.00315408/step Wall: 13918.9, 0.00315408/step, 0.537946 hours remaining, 242.609375 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: 4386000 3983.2866 20553.3471 14457.8737 244.4912 -203837.2790 2704.2543 0.0000 0.0000 51834.9669 -110059.0592 297.8963 -161894.0261 -109708.9544 298.6038 -224.9909 -195.7420 760495.3792 -7.4565 -7.4203 PRESSURE: 4386200 113.744 -107.829 -33.146 -107.829 182.761 129.593 -33.1454 129.593 -185.727 GPRESSURE: 4386200 242.062 -73.8366 18.9265 -118.267 71.7968 145.028 6.50977 105.59 -131.091 PRESSAVG: 4386200 70.3039 2.01112 -31.0209 2.01111 -49.6055 -26.81 -31.0209 -26.8101 -3.72435 GPRESSAVG: 4386200 71.2562 1.90028 -29.32 1.91055 -50.8899 -27.3121 -35.0266 -27.6815 -2.76872 TIMING: 4386200 CPU: 13919.6, 0.00319086/step Wall: 13919.6, 0.00319086/step, 0.544042 hours remaining, 242.609375 MB of memory in use. ENERGY: 4386200 3962.1962 20428.5903 14433.7001 251.5538 -204082.1466 2874.0763 0.0000 0.0000 51932.6863 -110199.3436 298.4579 -162132.0299 -109843.8077 298.2332 36.9261 60.9227 759547.8192 5.6580 5.8659 PRESSURE: 4386400 268.651 -144.314 -57.5882 -144.313 -88.8123 -247.079 -57.5872 -247.078 -155.945 GPRESSURE: 4386400 264.633 -174.757 -71.3191 -213.78 -1.35047 -194.594 -99.7419 -317.833 -161.51 PRESSAVG: 4386400 -3.44322 -73.4492 -61.0832 -73.4492 0.541078 -11.8739 -61.0832 -11.8739 -5.69312 GPRESSAVG: 4386400 -3.96957 -77.1833 -63.4073 -71.4931 2.63271 -11.4934 -59.6609 -14.7955 -7.07463 TIMING: 4386400 CPU: 13920.2, 0.00315895/step Wall: 13920.2, 0.00315895/step, 0.538425 hours remaining, 242.609375 MB of memory in use. ENERGY: 4386400 3981.0733 20583.6016 14483.4281 262.8179 -204034.0739 2639.4795 0.0000 0.0000 51795.1646 -110288.5088 297.6675 -162083.6734 -109916.1640 298.2221 7.9644 33.9242 759803.8409 -2.8651 -2.8038 PRESSURE: 4386600 59.5418 -104.747 -42.0465 -104.747 260.481 6.46853 -42.0466 6.4686 -121.013 GPRESSURE: 4386600 91.8578 -94.1397 -72.1288 -64.6387 236.016 63.5204 -7.86255 -21.4469 -60.7603 PRESSAVG: 4386600 -2.43276 -9.7504 -36.4216 -9.75042 45.4763 -3.6078 -36.4215 -3.60774 -15.0187 GPRESSAVG: 4386600 -3.27207 -7.99804 -36.1725 -11.3922 44.7287 -2.85661 -35.3331 -0.899829 -13.7612 TIMING: 4386600 CPU: 13920.8, 0.00315937/step Wall: 13920.8, 0.00315937/step, 0.538322 hours remaining, 242.609375 MB of memory in use. ENERGY: 4386600 3908.5317 20600.9233 14451.9120 258.8811 -204015.0567 2651.9434 0.0000 0.0000 51677.1829 -110465.6822 296.9895 -162142.8652 -110098.2848 297.8737 66.3365 89.0379 759168.8132 9.3416 9.2318 PRESSURE: 4386800 -185.786 -190.161 -19.4642 -190.161 -70.2116 151.467 -19.4642 151.466 352.803 GPRESSURE: 4386800 -149.405 -169.394 -37.7157 -283.216 -37.84 64.3392 60.2753 65.6917 357.593 PRESSAVG: 4386800 -54.9795 -16.1333 1.04998 -16.1333 29.1904 21.9809 1.04996 21.9808 11.0354 GPRESSAVG: 4386800 -53.9682 -17.3013 2.28392 -15.8126 29.348 19.3233 1.32278 21.2592 10.217 TIMING: 4386800 CPU: 13921.5, 0.0031939/step Wall: 13921.5, 0.0031939/step, 0.544028 hours remaining, 242.609375 MB of memory in use. ENERGY: 4386800 3997.5786 20553.8889 14507.7300 231.7868 -203929.8729 2545.9015 0.0000 0.0000 51580.2097 -110512.7774 296.4322 -162092.9870 -110162.5710 297.6668 32.2684 56.7826 760061.9566 -4.9179 -4.8011 PRESSURE: 4387000 -105.322 -133.898 38.9125 -133.899 251.01 -166.981 38.9125 -166.982 -192.709 GPRESSURE: 4387000 -37.1515 -146.193 159.379 -210.137 301.619 -159.819 64.6533 -136.716 -221.257 PRESSAVG: 4387000 -16.2044 -19.1672 -17.0655 -19.1673 41.4796 14.0691 -17.0656 14.0692 20.0141 GPRESSAVG: 4387000 -16.3327 -18.1255 -16.4749 -21.7003 42.0295 15.3016 -16.462 13.9195 19.3852 TIMING: 4387000 CPU: 13922.1, 0.00318296/step Wall: 13922.1, 0.00318296/step, 0.541988 hours remaining, 242.609375 MB of memory in use. ENERGY: 4387000 3996.2844 20520.2533 14453.4214 228.4253 -203872.6072 2632.6966 0.0000 0.0000 52008.0033 -110033.5229 298.8907 -162041.5262 -109666.7212 297.8508 -15.6735 14.4035 759248.9877 15.0964 15.0273 PRESSURE: 4387200 63.1598 59.8686 36.0147 59.8681 132.021 34.8346 36.0142 34.835 89.5571 GPRESSURE: 4387200 27.1797 121.597 -13.7285 126.356 140.135 70.6678 -1.99918 74.3422 193.67 PRESSAVG: 4387200 -38.2955 -72.6702 5.47604 -72.6701 31.8134 -24.2698 5.47597 -24.2697 26.508 GPRESSAVG: 4387200 -38.0465 -72.7239 4.20445 -69.7384 29.9624 -24.2935 6.05583 -26.1445 27.9091 TIMING: 4387200 CPU: 13922.8, 0.00316309/step Wall: 13922.8, 0.00316309/step, 0.538428 hours remaining, 242.609375 MB of memory in use. ENERGY: 4387200 4065.7302 20597.6999 14465.6492 234.0816 -203604.4147 2599.2914 0.0000 0.0000 51842.1330 -109799.8294 297.9375 -161641.9624 -109437.5391 299.0866 94.9126 120.3281 758623.2330 6.6753 6.6084 PRESSURE: 4387400 -6.0413 109.18 -41.3217 109.18 215.781 26.8095 -41.3222 26.8097 -81.6451 GPRESSURE: 4387400 -60.6164 227.453 91.1501 8.87405 249.158 -39.8696 -49.1093 122.297 20.9162 PRESSAVG: 4387400 -45.4462 -33.4706 65.5053 -33.4707 76.9484 -2.40693 65.5052 -2.40692 7.59611 GPRESSAVG: 4387400 -47.0179 -32.8833 65.3023 -32.1261 77.5798 -3.03106 62.741 1.07008 8.39185 TIMING: 4387400 CPU: 13923.4, 0.00315791/step Wall: 13923.4, 0.00315791/step, 0.53737 hours remaining, 242.609375 MB of memory in use. ENERGY: 4387400 3990.0379 20515.6909 14549.7145 249.5139 -203830.3623 2704.1130 0.0000 0.0000 51777.2027 -110044.0895 297.5643 -161821.2922 -109674.8623 298.5402 42.6981 69.8192 759397.7402 13.0327 12.9846 PRESSURE: 4387600 -358.231 82.3943 -126.255 82.3943 -136.33 35.8224 -126.255 35.8235 -186.765 GPRESSURE: 4387600 -326.384 144.199 -86.6154 -20.9847 -76.0244 115.062 -38.5376 2.02683 -184.041 PRESSAVG: 4387600 1.67498 -7.54359 12.009 -7.54364 44.3213 4.26789 12.0091 4.26786 18.4827 GPRESSAVG: 4387600 2.94944 -8.1803 11.5859 -9.54568 44.1667 4.34454 13.6974 2.27472 17.1464 TIMING: 4387600 CPU: 13924, 0.00315793/step Wall: 13924, 0.00315793/step, 0.537199 hours remaining, 242.609375 MB of memory in use. ENERGY: 4387600 4004.8648 20526.3620 14585.8446 242.9582 -203676.9225 2615.4750 0.0000 0.0000 51876.0361 -109825.3818 298.1323 -161701.4179 -109456.6703 298.7862 -227.1084 -195.4830 760675.4660 21.4930 21.4208 PRESSURE: 4387800 -360.908 -194.476 7.60894 -194.476 -34.4177 18.4328 7.60889 18.4332 -210.723 GPRESSURE: 4387800 -242.448 -202.298 97.6951 -204.38 -55.6312 65.2259 38.7096 27.2751 -205.067 PRESSAVG: 4387800 -48.6838 -96.2101 -28.7384 -96.2101 -3.50626 -8.0576 -28.7384 -8.05766 19.6631 GPRESSAVG: 4387800 -48.2155 -94.5681 -26.9175 -94.5051 -3.10235 -7.49306 -29.9916 -8.0755 18.6316 TIMING: 4387800 CPU: 13924.7, 0.00316599/step Wall: 13924.7, 0.00316599/step, 0.538394 hours remaining, 242.609375 MB of memory in use. ENERGY: 4387800 4023.0004 20374.4888 14512.6426 242.9163 -203797.3584 2590.3279 0.0000 0.0000 52253.5391 -109800.4433 300.3018 -162053.9824 -109440.7741 299.3718 -202.0161 -167.7153 761969.8070 -10.8423 -10.8954 PRESSURE: 4388000 -196.468 29.84 -141.337 29.8403 70.6428 168.912 -141.337 168.911 -337.868 GPRESSURE: 4388000 -106.028 98.5085 -169.077 61.2923 65.3486 114.762 -70.3215 203.666 -355.949 PRESSAVG: 4388000 -22.4886 -76.4376 -20.0547 -76.4377 21.5649 22.3812 -20.0547 22.3812 -10.4937 GPRESSAVG: 4388000 -23.902 -77.0759 -20.2867 -77.9582 22.4154 20.8693 -19.8984 23.0567 -9.94987 TIMING: 4388000 CPU: 13925.3, 0.00315263/step Wall: 13925.3, 0.00315263/step, 0.535948 hours remaining, 242.609375 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: 4388000 3953.3246 20487.5472 14482.4194 248.5822 -203712.5592 2472.6178 0.0000 0.0000 51897.0912 -110170.9768 298.2533 -162068.0679 -109806.3092 298.7081 -154.5646 -132.2093 760633.0607 -3.8058 -3.8122 PRESSURE: 4388200 -135.262 69.4419 187.034 69.4423 -315.854 -4.53002 187.034 -4.53026 -43.3312 GPRESSURE: 4388200 -155.846 85.7431 209.181 60.5902 -182.879 -77.9643 58.6575 29.4475 -65.1329 PRESSAVG: 4388200 -8.72263 1.73279 -45.6821 1.73278 17.5383 -17.1184 -45.6821 -17.1184 -20.4669 GPRESSAVG: 4388200 -8.11252 3.05236 -47.9755 3.17277 17.0416 -15.929 -45.3257 -16.9889 -20.8056 TIMING: 4388200 CPU: 13925.9, 0.00315888/step Wall: 13925.9, 0.00315888/step, 0.536834 hours remaining, 242.609375 MB of memory in use. ENERGY: 4388200 4009.5709 20651.1010 14412.2735 232.2822 -203943.5242 2525.6422 0.0000 0.0000 52039.6994 -110072.9551 299.0729 -162112.6545 -109716.4561 297.8197 -164.8158 -134.6194 761765.0719 -3.8837 -3.9588 LDB: ============= START OF LOAD BALANCING ============== 13938.4 LDB: ============== END OF LOAD BALANCING =============== 13938.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13938.4 LDB: ============= START OF LOAD BALANCING ============== 13938.7 LDB: Largest compute 7031 load 0.036418 is 18.6% of average load 0.195422 LDB: Average compute 0.004408 is 2.3% of average load 0.195422 LDB: TIME 13938.7 LOAD: AVG 0.195422 MAX 0.217694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.832 MB LDB: TIME 13938.7 LOAD: AVG 0.195422 MAX 0.217694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.832 MB LDB: TIME 13938.7 LOAD: AVG 0.195422 MAX 0.217694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.832 MB LDB: ============== END OF LOAD BALANCING =============== 13938.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13938.7 PRESSURE: 4388400 -234.191 -174.262 278.313 -174.262 -3.18147 197.216 278.313 197.217 -173.014 GPRESSURE: 4388400 -266.163 -157.215 271.102 -135.799 113.502 240.429 146.49 208.15 -164.211 PRESSAVG: 4388400 -10.7943 -22.5618 4.28992 -22.5617 13.5167 64.8108 4.28994 64.8108 -12.5048 GPRESSAVG: 4388400 -10.5177 -22.3939 7.87597 -24.0904 13.0117 64.3103 4.08073 65.2007 -12.4782 TIMING: 4388400 CPU: 13926.6, 0.00321443/step Wall: 13926.6, 0.00321443/step, 0.546096 hours remaining, 239.324219 MB of memory in use. ENERGY: 4388400 3953.4258 20487.6594 14472.8257 236.3526 -203190.2233 2289.2024 0.0000 0.0000 51869.4617 -109881.2956 298.0945 -161750.7573 -109510.1985 298.5489 -136.7954 -105.6239 761533.9825 -3.2608 -3.3281 PRESSURE: 4388600 -401.217 -65.2502 156.99 -65.2502 -454.138 -166.002 156.989 -166.001 -43.675 GPRESSURE: 4388600 -361.781 -33.0164 148.707 -109.132 -417.532 -61.3354 137.738 -126.77 -35.662 PRESSAVG: 4388600 -22.9196 -1.88908 9.15803 -1.88911 -4.10183 68.8367 9.15802 68.8367 -18.7473 GPRESSAVG: 4388600 -24.0085 -1.8584 8.37387 -2.20166 -3.60698 69.2531 8.69468 69.0894 -18.542 TIMING: 4388600 CPU: 13927.2, 0.00315458/step Wall: 13927.2, 0.00315458/step, 0.535753 hours remaining, 239.324219 MB of memory in use. ENERGY: 4388600 3993.4349 20494.5704 14469.5664 272.5826 -203421.6288 2506.0143 0.0000 0.0000 51704.9601 -109980.5001 297.1491 -161685.4602 -109615.0709 298.1379 -299.6768 -271.6583 763150.7288 -15.2563 -15.3858 PRESSURE: 4388800 -121.645 197.087 95.1614 197.086 40.2477 -4.82447 95.1607 -4.82477 343.659 GPRESSURE: 4388800 -79.6339 150.319 245.599 152.784 67.5279 -32.7674 119.629 83.567 358.311 PRESSAVG: 4388800 -8.47303 -13.6911 25.5323 -13.691 -3.3181 6.67328 25.5323 6.67324 2.54205 GPRESSAVG: 4388800 -8.04043 -14.5755 26.6169 -12.9685 -3.87715 4.80376 25.5975 7.77265 2.37408 TIMING: 4388800 CPU: 13927.8, 0.00316023/step Wall: 13927.8, 0.00316023/step, 0.536536 hours remaining, 239.324219 MB of memory in use. ENERGY: 4388800 3858.3125 20505.5998 14511.7579 233.4857 -203597.7980 2453.3300 0.0000 0.0000 52076.0217 -109959.2904 299.2816 -162035.3121 -109603.5360 297.7421 87.4206 115.4016 761077.4753 -3.0830 -3.1812 PRESSURE: 4389000 -103.007 -7.72699 -21.6911 -7.72688 -246.38 155.267 -21.6909 155.267 -163.593 GPRESSURE: 4389000 -85.3905 -52.9176 -85.2207 18.7459 -194.264 73.2874 -31.547 241.328 -153.319 PRESSAVG: 4389000 3.31581 0.711035 -1.48226 0.710997 -5.468 45.6521 -1.48222 45.652 -2.41617 GPRESSAVG: 4389000 2.86729 0.956785 -1.75097 2.48712 -5.32265 46.9311 -0.097252 44.7412 -2.22646 TIMING: 4389000 CPU: 13928.5, 0.00315129/step Wall: 13928.5, 0.00315129/step, 0.534844 hours remaining, 239.324219 MB of memory in use. ENERGY: 4389000 4008.3596 20342.4489 14423.3056 251.4657 -203596.0013 2661.5507 0.0000 0.0000 52220.7523 -109688.1185 300.1134 -161908.8708 -109336.6512 298.5124 -170.9933 -144.3245 762275.6020 -1.5228 -1.5606 PRESSURE: 4389200 159.76 -107.04 67.2821 -107.04 -86.2344 6.50332 67.2817 6.50288 55.7943 GPRESSURE: 4389200 98.1954 -50.3011 -20.4576 -16.7307 56.0611 9.16038 -7.32875 -61.7743 60.3516 PRESSAVG: 4389200 -18.5057 12.1814 21.1296 12.1814 -20.6282 25.3289 21.1296 25.3288 6.78061 GPRESSAVG: 4389200 -18.0333 11.6431 18.5139 12.0958 -20.8292 25.7721 20.2968 24.9887 6.61894 TIMING: 4389200 CPU: 13929.1, 0.0031555/step Wall: 13929.1, 0.0031555/step, 0.535384 hours remaining, 239.324219 MB of memory in use. ENERGY: 4389200 4024.1372 20631.3196 14493.6256 237.2014 -203778.5598 2723.7052 0.0000 0.0000 51930.6189 -109737.9519 298.4460 -161668.5708 -109383.6076 299.1398 43.1068 71.5360 760721.9335 -10.7844 -10.7479 PRESSURE: 4389400 124.764 -82.2811 274.268 -82.281 272.24 9.47767 274.267 9.47705 265.385 GPRESSURE: 4389400 252.102 -63.2521 193.686 -172.223 280.912 -94.0729 279.523 151.56 203.469 PRESSAVG: 4389400 1.6496 -30.6034 70.8575 -30.6034 -18.52 33.0409 70.8575 33.0409 29.416 GPRESSAVG: 4389400 0.135809 -31.6612 72.5695 -30.4823 -17.698 33.913 70.6022 31.2788 29.3225 TIMING: 4389400 CPU: 13929.7, 0.00316262/step Wall: 13929.7, 0.00316262/step, 0.536416 hours remaining, 239.324219 MB of memory in use. ENERGY: 4389400 4020.5289 20503.4812 14508.4545 248.7796 -203529.8252 2620.0579 0.0000 0.0000 51917.3328 -109711.1903 298.3696 -161628.5231 -109343.6304 299.1084 220.7965 245.4945 759476.0549 4.1819 3.9201 PRESSURE: 4389600 -224.533 -134.908 -120.108 -134.909 117.51 287.681 -120.108 287.681 -108.518 GPRESSURE: 4389600 -206.104 -130.955 -113.105 -131.124 108.226 278.922 -58.8614 276.64 -30.0525 PRESSAVG: 4389600 -36.7805 -24.4089 32.3176 -24.4089 49.0912 -29.1781 32.3177 -29.1781 -18.7995 GPRESSAVG: 4389600 -35.3382 -24.6534 32.9892 -26.9966 47.2664 -28.998 32.1291 -26.1778 -18.8414 TIMING: 4389600 CPU: 13930.3, 0.00315713/step Wall: 13930.3, 0.00315713/step, 0.535309 hours remaining, 239.324219 MB of memory in use. ENERGY: 4389600 3985.8861 20418.1251 14368.9886 216.0359 -203263.2392 2335.8270 0.0000 0.0000 52329.8198 -109608.5567 300.7402 -161938.3765 -109235.3974 299.3933 -71.8470 -42.6432 760053.8019 -2.1629 -2.3044 PRESSURE: 4389800 -277.747 -184.051 160.2 -184.05 241.494 -140.918 160.2 -140.918 -422.977 GPRESSURE: 4389800 -165.735 -72.7494 263.893 -171.476 136.463 -149.459 150.199 -209.493 -332.22 PRESSAVG: 4389800 8.04118 -33.0706 25.794 -33.0706 41.6259 6.12687 25.7939 6.12696 5.27684 GPRESSAVG: 4389800 6.20207 -31.162 23.989 -30.7714 42.4523 5.82717 27.6604 4.97145 5.83392 TIMING: 4389800 CPU: 13931, 0.00315611/step Wall: 13931, 0.00315612/step, 0.534962 hours remaining, 239.324219 MB of memory in use. ENERGY: 4389800 4011.7963 20465.5492 14470.9697 245.2992 -203676.0280 2754.4121 0.0000 0.0000 52240.8405 -109487.1609 300.2288 -161728.0014 -109133.4262 299.2385 -153.0765 -120.4972 759472.7369 18.3147 18.1628 PRESSURE: 4390000 -81.038 56.2376 134.931 56.2375 -171.288 182.984 134.931 182.985 74.9082 GPRESSURE: 4390000 47.0298 39.0695 120.406 122.108 -210.763 163.174 85.2926 112.692 76.1681 PRESSAVG: 4390000 -11.7726 2.53155 41.2861 2.53155 24.3533 -6.29063 41.2861 -6.29059 11.8423 GPRESSAVG: 4390000 -10.2926 1.87395 41.9176 1.58543 23.018 -8.62249 40.5629 -4.7687 11.7754 TIMING: 4390000 CPU: 13931.6, 0.00313934/step Wall: 13931.6, 0.00313934/step, 0.531944 hours remaining, 239.324219 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: 4390000 3968.3038 20477.0456 14441.6386 244.1488 -203145.6124 2225.0802 0.0000 0.0000 52186.9671 -109602.4283 299.9192 -161789.3954 -109239.4714 299.5646 -59.1392 -29.1883 759081.8411 8.1410 8.1669 PRESSURE: 4390200 -211.188 -48.1402 17.6103 -48.1408 144.127 -45.3859 17.6112 -45.3868 157.807 GPRESSURE: 4390200 -162.381 -31.7466 113.061 -84.0783 192.349 -35.7581 -105.296 -91.5709 147.64 PRESSAVG: 4390200 -14.6212 -49.2873 -5.62431 -49.2873 -10.9906 20.0837 -5.62434 20.0838 -8.29099 GPRESSAVG: 4390200 -15.419 -49.2394 -6.74921 -49.4345 -10.8164 20.6953 -4.07435 17.5935 -7.69499 TIMING: 4390200 CPU: 13932.2, 0.00316948/step Wall: 13932.2, 0.00316948/step, 0.536875 hours remaining, 239.324219 MB of memory in use. ENERGY: 4390200 4092.0012 20519.8631 14445.2011 230.8161 -203611.8461 2698.9689 0.0000 0.0000 52003.8577 -109621.1381 298.8669 -161624.9958 -109262.4748 299.4979 30.2486 59.2027 759871.0979 -11.3009 -11.3101 PRESSURE: 4390400 -471.317 151.219 -8.9367 151.22 -235.981 -47.3518 -8.93669 -47.3522 -69.4083 GPRESSURE: 4390400 -492.772 -6.79041 14.475 177.084 -195.817 43.1074 -123.287 -134.18 -23.3151 PRESSAVG: 4390400 -11.8762 8.82034 2.12251 8.8204 1.65582 10.604 2.12255 10.604 2.2586 GPRESSAVG: 4390400 -12.0951 8.84507 4.62613 7.69659 4.11634 10.5094 -1.36415 12.1944 0.58051 TIMING: 4390400 CPU: 13932.9, 0.003155/step Wall: 13932.9, 0.003155/step, 0.534247 hours remaining, 239.324219 MB of memory in use. ENERGY: 4390400 4056.8015 20354.9097 14473.6259 244.3187 -203106.1216 2310.5554 0.0000 0.0000 51956.9122 -109708.9983 298.5971 -161665.9105 -109343.6780 299.0672 -258.9022 -237.3013 759808.9898 -2.6539 -2.4661 PRESSURE: 4390600 -161.383 -163.969 -125.047 -163.969 -20.021 67.9538 -125.048 67.9532 -137.93 GPRESSURE: 4390600 -115.184 -10.5102 -118.992 -132.492 15.4248 -47.1404 -69.9562 24.1987 -149.119 PRESSAVG: 4390600 -3.17229 -34.3049 -39.96 -34.3048 7.23486 19.9121 -39.9601 19.912 1.28862 GPRESSAVG: 4390600 -2.68082 -35.5953 -40.9445 -30.4928 4.47335 19.1949 -38.628 18.7043 3.2262 TIMING: 4390600 CPU: 13933.5, 0.00316654/step Wall: 13933.5, 0.00316654/step, 0.536025 hours remaining, 239.324219 MB of memory in use. ENERGY: 4390600 3943.5055 20612.3020 14522.6634 259.0730 -203440.3106 2541.9358 0.0000 0.0000 51890.1934 -109670.6375 298.2137 -161560.8309 -109312.9901 298.9151 -106.4449 -82.9592 759539.9410 1.7837 1.6729 PRESSURE: 4390800 253.931 87.8954 10.3217 87.8962 156.668 201.59 10.3215 201.589 139.748 GPRESSURE: 4390800 259.606 105.743 -20.5714 83.3703 273.902 241.829 75.3975 223.178 81.662 PRESSAVG: 4390800 -22.5744 49.9194 -59.4909 49.9194 48.6174 31.0264 -59.4909 31.0263 -7.54816 GPRESSAVG: 4390800 -22.1417 50.8949 -59.387 48.9561 49.8152 32.9343 -58.6083 32.6109 -8.96862 TIMING: 4390800 CPU: 13934.1, 0.00313709/step Wall: 13934.1, 0.00313709/step, 0.530865 hours remaining, 239.324219 MB of memory in use. ENERGY: 4390800 3893.2693 20292.7286 14485.2870 248.1337 -203911.2871 2947.3868 0.0000 0.0000 52236.4110 -109808.0707 300.2034 -162044.4817 -109441.7658 298.7210 183.4492 205.0565 760977.5587 6.1649 6.2350 PRESSURE: 4391000 173.394 -25.4022 90.2391 -25.4028 -144.707 78.2724 90.2398 78.2712 158.081 GPRESSURE: 4391000 201.221 -126.48 45.328 -75.5398 -51.9903 127.259 131.241 56.8282 112.389 PRESSAVG: 4391000 7.45456 9.63811 -7.65862 9.63805 11.4487 2.36492 -7.65867 2.36485 -16.2063 GPRESSAVG: 4391000 6.5682 10.2964 -7.24292 6.81462 13.0091 1.7103 -7.24644 3.62506 -16.6381 TIMING: 4391000 CPU: 13934.8, 0.00316103/step Wall: 13934.8, 0.00316103/step, 0.534741 hours remaining, 239.324219 MB of memory in use. ENERGY: 4391000 3897.1871 20642.4373 14412.7022 257.2280 -203633.4402 2656.6175 0.0000 0.0000 51969.8637 -109797.4044 298.6715 -161767.2681 -109430.7049 299.0918 62.2557 87.2067 760204.1224 0.8990 0.9797 PRESSURE: 4391200 -182.606 92.866 -38.6409 92.8652 249.507 -51.8027 -38.6413 -51.803 -86.6974 GPRESSURE: 4391200 -121.695 43.6382 5.71349 99.3829 257.415 -31.9518 -30.1313 -45.5948 -81.0922 PRESSAVG: 4391200 16.1954 -33.5264 -35.6439 -33.5265 -42.4312 38.2946 -35.6439 38.2946 7.43225 GPRESSAVG: 4391200 16.9629 -36.3949 -36.5514 -34.288 -44.8529 36.8172 -36.0173 35.7996 8.80029 TIMING: 4391200 CPU: 13935.4, 0.00316299/step Wall: 13935.4, 0.00316299/step, 0.534896 hours remaining, 239.324219 MB of memory in use. ENERGY: 4391200 3977.4469 20472.7302 14490.0023 233.5286 -203618.8042 2609.3787 0.0000 0.0000 52198.1562 -109637.5613 299.9835 -161835.7175 -109274.8273 299.3601 -6.5988 18.2091 759011.0162 -6.2678 -6.3632 PRESSURE: 4391400 -121.524 43.3376 46.5878 43.3378 -395.541 -146.971 46.5869 -146.972 236.252 GPRESSURE: 4391400 -103.595 -28.8961 44.4434 47.831 -308.038 -161.698 -23.5859 -123.728 217.085 PRESSAVG: 4391400 21.6154 -27.2933 0.865852 -27.2932 -10.821 -36.2256 0.865808 -36.2256 23.6698 GPRESSAVG: 4391400 21.2604 -27.1773 1.70515 -25.1982 -10.3615 -36.4799 -0.375828 -32.1335 23.6547 TIMING: 4391400 CPU: 13936, 0.00318044/step Wall: 13936, 0.00318044/step, 0.537672 hours remaining, 239.324219 MB of memory in use. ENERGY: 4391400 3925.8844 20519.2679 14477.7248 253.7072 -203372.4344 2478.1058 0.0000 0.0000 51996.1999 -109721.5444 298.8229 -161717.7443 -109358.1095 298.9660 -93.6044 -64.8492 761153.2454 11.4881 11.5179 PRESSURE: 4391600 71.2993 -46.9564 -111.205 -46.9558 -258.172 106.471 -111.206 106.471 194.617 GPRESSURE: 4391600 49.2427 -28.5275 -108.018 -86.4569 -128.232 70.3715 -131.186 21.2157 168.219 PRESSAVG: 4391600 13.7048 -44.5588 -26.3012 -44.5588 -18.1303 -5.56372 -26.3012 -5.56376 12.5269 GPRESSAVG: 4391600 13.4739 -42.9709 -27.4207 -45.7571 -16.7881 -6.08716 -24.9266 -8.78932 11.812 TIMING: 4391600 CPU: 13936.7, 0.00316993/step Wall: 13936.7, 0.00316993/step, 0.535718 hours remaining, 239.324219 MB of memory in use. ENERGY: 4391600 3954.7740 20527.4526 14472.6515 254.0791 -203535.2971 2784.4437 0.0000 0.0000 52012.5933 -109529.3029 298.9171 -161541.8962 -109165.0089 298.9830 2.5817 29.7434 760679.1452 2.7004 2.8326 PRESSURE: 4391800 97.6686 -191.351 -150.878 -191.35 -7.48864 -46.8868 -150.878 -46.8869 -105.64 GPRESSURE: 4391800 110.069 -124.881 -147.073 -151.91 -14.0161 -51.5186 -191.785 85.2032 -39.4927 PRESSAVG: 4391800 -0.0821657 -54.737 -26.32 -54.737 -6.05904 9.02233 -26.3199 9.02232 7.64352 GPRESSAVG: 4391800 0.377381 -52.1778 -25.7384 -55.0139 -7.47243 11.4401 -26.5082 7.67159 8.37747 TIMING: 4391800 CPU: 13937.3, 0.00314493/step Wall: 13937.3, 0.00314493/step, 0.531318 hours remaining, 239.324219 MB of memory in use. ENERGY: 4391800 3884.7073 20382.7775 14457.2908 251.6336 -203979.0436 2994.6584 0.0000 0.0000 52416.3515 -109591.6246 301.2375 -162007.9760 -109220.2530 299.2127 -5.1532 18.8535 762029.4580 0.5008 0.4275 PRESSURE: 4392000 162.685 14.4845 166.751 14.4845 -28.868 -153.309 166.751 -153.308 -33.8329 GPRESSURE: 4392000 295 7.47422 108.298 106.954 -24.9459 -99.677 132.293 -135.083 -87.5832 PRESSAVG: 4392000 -19.1253 -45.1702 -8.11621 -45.1701 -30.06 -17.6786 -8.11618 -17.6786 12.0923 GPRESSAVG: 4392000 -19.5875 -48.708 -8.99878 -44.2256 -28.5037 -15.9358 -9.44466 -17.2084 11.7073 TIMING: 4392000 CPU: 13937.9, 0.00314704/step Wall: 13937.9, 0.00314704/step, 0.531499 hours remaining, 239.324219 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: 4392000 4005.1000 20542.2685 14485.4924 255.7782 -203801.8656 2812.9157 0.0000 0.0000 51909.1865 -109791.1242 298.3228 -161700.3108 -109440.3376 299.0629 33.3279 60.8235 759219.1562 -12.3643 -12.1280 PRESSURE: 4392200 54.3363 0.485658 -138.138 0.485357 -227.329 40.2755 -138.139 40.2757 178.29 GPRESSURE: 4392200 31.5328 100.503 -118.103 -48.0327 -182.406 110.316 -125.585 -79.8786 241.405 PRESSAVG: 4392200 84.9087 -49.3385 -6.61222 -49.3385 -87.8641 -34.3761 -6.61223 -34.3761 16.2719 GPRESSAVG: 4392200 83.9612 -49.6594 -5.77777 -49.463 -86.7409 -38.9344 -5.27962 -33.9495 16.0471 TIMING: 4392200 CPU: 13938.6, 0.00313146/step Wall: 13938.6, 0.00313146/step, 0.528696 hours remaining, 239.324219 MB of memory in use. ENERGY: 4392200 3980.1531 20465.4525 14452.0485 244.5650 -203818.9062 2706.4591 0.0000 0.0000 52369.3106 -109600.9175 300.9671 -161970.2281 -109232.6125 299.3396 1.7660 30.1773 758886.1701 4.4388 4.4225 LDB: ============= START OF LOAD BALANCING ============== 13951 LDB: ============== END OF LOAD BALANCING =============== 13951 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13951 LDB: ============= START OF LOAD BALANCING ============== 13951.3 LDB: Largest compute 7077 load 0.035490 is 18.2% of average load 0.195350 LDB: Average compute 0.004403 is 2.3% of average load 0.195350 LDB: TIME 13951.3 LOAD: AVG 0.19535 MAX 0.21388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 13951.3 LOAD: AVG 0.19535 MAX 0.21388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 13951.3 LOAD: AVG 0.19535 MAX 0.21388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 13951.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13951.3 PRESSURE: 4392400 -249.26 50.2474 -152.795 50.2478 -117.905 -30.4313 -152.794 -30.4314 47.0198 GPRESSURE: 4392400 -122.586 -13.1403 -187.771 141.121 -133.771 8.6166 -66.8683 42.2181 16.1085 PRESSAVG: 4392400 -7.78368 -21.5586 24.1026 -21.5585 -1.76434 -34.343 24.1025 -34.343 -15.5992 GPRESSAVG: 4392400 -6.05812 -20.5141 25.262 -21.1649 -4.28802 -32.9466 25.4082 -34.5796 -15.1524 TIMING: 4392400 CPU: 13939.2, 0.00322228/step Wall: 13939.2, 0.00322228/step, 0.543849 hours remaining, 240.808594 MB of memory in use. ENERGY: 4392400 4025.0500 20498.0527 14467.9126 242.5499 -203287.3414 2213.3374 0.0000 0.0000 52208.9239 -109631.5149 300.0454 -161840.4388 -109265.1749 299.5623 -106.7151 -80.0831 759421.0116 -8.3824 -8.4995 PRESSURE: 4392600 -135.067 -219.625 190.418 -219.626 -253.908 1.7091 190.417 1.70728 -421.233 GPRESSURE: 4392600 -171.088 -128.085 97.5061 -139.97 -96.9142 -5.66863 131.523 -106.483 -461.67 PRESSAVG: 4392600 64.2963 0.0286141 21.6988 0.0285953 -24.6423 -37.4295 21.6988 -37.4295 5.1981 GPRESSAVG: 4392600 62.1864 -0.84157 20.3069 0.876207 -22.7803 -37.144 19.9135 -37.2699 5.25023 TIMING: 4392600 CPU: 13939.8, 0.00312886/step Wall: 13939.8, 0.00312886/step, 0.527909 hours remaining, 240.808594 MB of memory in use. ENERGY: 4392600 4067.8980 20534.9182 14466.7257 252.2975 -203600.3962 2544.4273 0.0000 0.0000 52129.9810 -109604.1485 299.5917 -161734.1295 -109250.7853 299.7570 -270.0693 -243.2242 759702.3603 14.9507 14.8855 PRESSURE: 4392800 1.065 31.0128 105.976 31.0117 -352.548 -141.707 105.977 -141.707 166.839 GPRESSURE: 4392800 27.3313 -29.5668 83.4842 150.282 -286.347 -140.474 228.214 -86.4661 157.376 PRESSAVG: 4392800 25.7609 -13.8822 1.20073 -13.8822 -50.9649 -73.0003 1.20075 -73.0003 15.2431 GPRESSAVG: 4392800 26.9215 -12.3407 0.176519 -13.9206 -52.3703 -72.3745 4.43739 -75.5547 15.6139 TIMING: 4392800 CPU: 13940.5, 0.00317314/step Wall: 13940.5, 0.00317314/step, 0.535204 hours remaining, 240.808594 MB of memory in use. ENERGY: 4392800 3958.8405 20535.3029 14373.2377 237.1442 -203583.5059 2530.1322 0.0000 0.0000 52204.8346 -109744.0139 300.0219 -161948.8485 -109377.8706 299.1202 -61.5479 -33.8798 759943.6139 -3.3203 -3.2783 PRESSURE: 4393000 188.874 60.9761 -9.36325 60.9769 -216.817 -33.2759 -9.36351 -33.2755 -239.003 GPRESSURE: 4393000 87.2388 31.132 -38.155 -21.8017 -121.179 52.246 -51.5314 -119.404 -146.699 PRESSAVG: 4393000 26.9911 -59.1201 6.12468 -59.1201 -65.6996 -8.96284 6.12468 -8.96287 0.450588 GPRESSAVG: 4393000 26.527 -61.4766 7.93284 -61.1275 -65.3361 -8.39898 2.66397 -7.34763 0.41899 TIMING: 4393000 CPU: 13941.1, 0.0031579/step Wall: 13941.1, 0.0031579/step, 0.532457 hours remaining, 240.808594 MB of memory in use. ENERGY: 4393000 3981.6099 20627.7009 14425.6039 243.7335 -204006.7669 3041.8878 0.0000 0.0000 52026.3603 -109659.8706 298.9962 -161686.2309 -109309.5124 298.9671 -88.9822 -60.2132 760522.5671 -12.7526 -12.7967 PRESSURE: 4393200 -35.539 -1.92334 58.5646 -1.92263 50.8484 234.642 58.5646 234.643 75.8158 GPRESSURE: 4393200 -17.61 77.2988 -62.4714 98.7033 73.4814 213.453 162.597 127.906 98.1713 PRESSAVG: 4393200 21.8565 9.55511 67.8554 9.55516 -91.3927 -73.5658 67.8553 -73.5658 -14.8255 GPRESSAVG: 4393200 22.2397 11.6528 67.7733 8.66035 -90.0328 -74.0415 68.1184 -75.1591 -16.0134 TIMING: 4393200 CPU: 13941.7, 0.0031521/step Wall: 13941.7, 0.0031521/step, 0.531304 hours remaining, 240.808594 MB of memory in use. ENERGY: 4393200 3971.2804 20636.7084 14500.1353 239.0364 -203853.4024 2675.6360 0.0000 0.0000 52251.3773 -109579.2286 300.2894 -161830.6059 -109217.6717 299.6784 30.3751 51.3476 759796.2223 -28.1206 -27.9355 PRESSURE: 4393400 243.863 35.9121 25.2376 35.9123 243.779 -88.0414 25.2369 -88.0414 -261.917 GPRESSURE: 4393400 368.498 63.7578 84.5369 106.931 199.429 -93.7294 120.472 -90.7699 -266.727 PRESSAVG: 4393400 62.4169 -2.50851 -6.76603 -2.50846 -43.1215 -28.8966 -6.76601 -28.8965 -9.83032 GPRESSAVG: 4393400 62.1515 -3.12084 -6.97365 0.29061 -44.6307 -28.7247 -6.83349 -26.3636 -8.3537 TIMING: 4393400 CPU: 13942.3, 0.00315665/step Wall: 13942.3, 0.00315665/step, 0.531895 hours remaining, 240.808594 MB of memory in use. ENERGY: 4393400 3993.2863 20573.3289 14433.3129 231.7865 -203972.0449 2912.8700 0.0000 0.0000 52335.1155 -109492.3448 300.7706 -161827.4603 -109119.5185 299.6211 75.2418 100.4003 759003.9835 3.1550 3.0557 PRESSURE: 4393600 17.9495 -62.9111 66.8012 -62.9106 66.9669 -307.402 66.8015 -307.401 282.579 GPRESSURE: 4393600 22.769 -159.755 48.5922 -12.1255 74.6039 -280.301 4.37453 -212.36 358.691 PRESSAVG: 4393600 -26.8199 -24.089 -28.56 -24.089 -3.33994 -31.7741 -28.56 -31.7742 -2.01496 GPRESSAVG: 4393600 -27.5191 -22.6547 -30.0904 -25.5865 -2.13159 -31.3487 -28.9415 -31.2483 -1.29654 TIMING: 4393600 CPU: 13943, 0.00314183/step Wall: 13943, 0.00314183/step, 0.529224 hours remaining, 240.808594 MB of memory in use. ENERGY: 4393600 3978.5631 20635.9333 14471.0816 268.3426 -203239.9042 2583.3394 0.0000 0.0000 51934.7879 -109367.8563 298.4699 -161302.6442 -109015.0225 300.0028 122.4985 152.0214 759818.3192 -10.7249 -10.3157 PRESSURE: 4393800 74.6832 -53.985 79.2368 -53.9854 71.7055 34.1409 79.2377 34.1419 415.373 GPRESSURE: 4393800 124.77 -54.1888 17.1919 -92.8125 109.935 59.0057 -5.7125 4.54525 419.585 PRESSAVG: 4393800 14.056 15.8978 20.4619 15.8979 14.7205 -10.7146 20.4619 -10.7147 -8.78664 GPRESSAVG: 4393800 15.5171 13.9121 20.8703 15.2854 14.3088 -10.4009 20.1968 -11.1862 -9.7963 TIMING: 4393800 CPU: 13943.6, 0.00316081/step Wall: 13943.6, 0.00316081/step, 0.532245 hours remaining, 240.808594 MB of memory in use. ENERGY: 4393800 3937.3121 20510.6666 14455.9436 240.6786 -203093.6647 2419.0764 0.0000 0.0000 52014.8685 -109515.1189 298.9302 -161529.9874 -109146.0130 299.7898 187.2538 218.0963 760226.8280 6.6633 6.6765 PRESSURE: 4394000 39.5528 -63.3676 80.5581 -63.3679 274.981 34.0192 80.5574 34.0191 18.5588 GPRESSURE: 4394000 18.9926 -58.2464 50.881 -80.9272 370.256 33.5959 13.5298 -29.2488 22.7718 PRESSAVG: 4394000 -68.7135 -15.5664 -17.6116 -15.5664 43.1619 -13.363 -17.6117 -13.3629 0.534215 GPRESSAVG: 4394000 -70.0293 -15.8739 -16.6452 -15.261 43.4435 -15.4152 -17.5916 -12.9912 1.2732 TIMING: 4394000 CPU: 13944.2, 0.00314617/step Wall: 13944.2, 0.00314617/step, 0.529606 hours remaining, 240.808594 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: 4394000 3970.8089 20386.3761 14379.5865 249.6534 -203496.6677 2558.7657 0.0000 0.0000 52200.0188 -109751.4583 299.9942 -161951.4771 -109382.3662 299.1594 111.0309 137.3403 761958.3968 -8.3391 -8.4375 PRESSURE: 4394200 -132.185 30.6173 201.831 30.6173 -142.156 -59.918 201.83 -59.9181 -272.648 GPRESSURE: 4394200 -55.3519 47.0849 80.4453 96.4022 -159.07 -88.6082 42.982 -34.4256 -238.114 PRESSAVG: 4394200 -32.5085 -30.0328 -39.4822 -30.0328 9.66083 13.6336 -39.4822 13.6336 10.1742 GPRESSAVG: 4394200 -32.948 -28.8731 -38.1757 -30.4355 9.4332 15.8407 -38.6671 13.1977 10.6964 TIMING: 4394200 CPU: 13944.9, 0.00314882/step Wall: 13944.9, 0.00314882/step, 0.529877 hours remaining, 240.808594 MB of memory in use. ENERGY: 4394200 4111.9024 20492.1423 14380.1097 250.5784 -203434.6720 2549.5767 0.0000 0.0000 51897.7108 -109752.6518 298.2569 -161650.3626 -109395.1660 299.2405 -182.3298 -150.8452 761182.7877 -4.2245 -4.2728 PRESSURE: 4394400 -40.4726 -91.217 -38.661 -91.2161 197.79 -184.703 -38.6616 -184.704 -15.0603 GPRESSURE: 4394400 36.9255 -53.2766 21.2969 -131.782 246.53 -120.12 -108.174 -325.746 -49.5642 PRESSAVG: 4394400 -68.4637 -28.4704 47.3963 -28.4704 48.6769 -57.9175 47.3963 -57.9175 15.9958 GPRESSAVG: 4394400 -67.0696 -28.1966 46.3777 -28.0923 49.0746 -59.9759 47.1184 -56.7734 14.7972 TIMING: 4394400 CPU: 13945.5, 0.0031658/step Wall: 13945.5, 0.0031658/step, 0.532557 hours remaining, 240.808594 MB of memory in use. ENERGY: 4394400 4014.0569 20513.6753 14350.3130 242.2578 -203787.4667 2623.6182 0.0000 0.0000 52250.7685 -109792.7769 300.2859 -162043.5454 -109425.3860 298.9399 47.4189 77.9639 758031.9617 -1.2637 -1.0659 PRESSURE: 4394600 405.202 -97.1658 -85.3957 -97.1655 -150.85 30.7078 -85.395 30.7074 -83.6757 GPRESSURE: 4394600 357.101 -55.1981 -95.9632 -123.873 -52.1763 -40.8186 -136.14 -104.154 -33.385 PRESSAVG: 4394600 -1.47589 3.67099 25.1492 3.67104 50.3308 -20.623 25.1492 -20.623 -21.6859 GPRESSAVG: 4394600 -1.99907 3.26892 23.2266 4.88112 50.6522 -19.9708 28.5911 -21.6861 -20.995 TIMING: 4394600 CPU: 13946.1, 0.00314264/step Wall: 13946.1, 0.00314264/step, 0.528487 hours remaining, 240.808594 MB of memory in use. ENERGY: 4394600 3978.9242 20362.3302 14390.5971 215.4601 -203843.1425 2874.0589 0.0000 0.0000 51998.8092 -110022.9627 298.8379 -162021.7719 -109660.0801 298.7270 56.8920 90.5131 760390.5759 9.0563 9.2194 PRESSURE: 4394800 -61.029 59.3517 -23.8627 59.351 -134.86 46.3844 -23.8626 46.3828 -144.538 GPRESSURE: 4394800 39.0136 38.6437 -69.238 34.6868 -116.275 91.25 28.6654 30.8195 -177.406 PRESSAVG: 4394800 -30.568 -44.078 19.6387 -44.0779 31.7651 -25.4102 19.6388 -25.4102 -13.0889 GPRESSAVG: 4394800 -30.1507 -43.8087 20.1094 -47.1768 31.8793 -25.8224 18.3656 -25.3886 -13.2591 TIMING: 4394800 CPU: 13946.8, 0.00313785/step Wall: 13946.8, 0.00313784/step, 0.527507 hours remaining, 240.808594 MB of memory in use. ENERGY: 4394800 3962.3560 20448.9052 14454.7965 264.6994 -203506.4682 2375.7134 0.0000 0.0000 51906.9262 -110093.0713 298.3098 -161999.9975 -109727.4578 298.4154 -113.4755 -84.8892 759435.7058 -3.9639 -3.8435 PRESSURE: 4395000 169.539 -128.347 -89.426 -128.347 -175.654 150.695 -89.4256 150.694 258.265 GPRESSURE: 4395000 252.003 -104.776 -74.3363 -166.611 -95.7574 76.6504 -49.9765 167.309 173.584 PRESSAVG: 4395000 -47.3563 -27.629 7.69302 -27.629 31.4655 52.7865 7.69301 52.7864 2.05748 GPRESSAVG: 4395000 -47.4326 -26.3669 8.78386 -25.0254 30.8981 53.3008 5.76607 52.9107 2.20668 TIMING: 4395000 CPU: 13947.4, 0.003127/step Wall: 13947.4, 0.003127/step, 0.525509 hours remaining, 240.808594 MB of memory in use. ENERGY: 4395000 3969.9147 20454.7240 14468.0404 250.3032 -204012.2841 2887.3867 0.0000 0.0000 52013.7143 -109968.2007 298.9235 -161981.9150 -109605.4249 298.6321 84.0500 109.9432 758950.2392 -4.6111 -4.7759 PRESSURE: 4395200 -199.915 -94.5607 -17.1418 -94.5611 193.422 -88.4082 -17.1432 -88.4072 598.738 GPRESSURE: 4395200 -180.703 -122.426 76.2251 -41.4412 266.904 -143.186 30.1597 20.6647 607.806 PRESSAVG: 4395200 7.32557 -64.6777 31.8499 -64.6778 -12.157 10.4103 31.8498 10.4103 -3.75308 GPRESSAVG: 4395200 7.82245 -67.2225 31.4398 -64.1247 -12.7604 10.1875 34.0234 10.8254 -3.75188 TIMING: 4395200 CPU: 13948, 0.00313242/step Wall: 13948, 0.00313242/step, 0.526246 hours remaining, 240.808594 MB of memory in use. ENERGY: 4395200 4039.4095 20452.3331 14512.8890 249.3285 -203688.5141 2598.8724 0.0000 0.0000 51819.9387 -110015.7429 297.8099 -161835.6816 -109658.4909 298.5518 197.4151 231.3358 758238.3495 -2.8615 -2.8966 PRESSURE: 4395400 57.8976 -132.474 142.54 -132.474 218.948 14.1612 142.54 14.1617 259.988 GPRESSURE: 4395400 104.924 -3.30232 109.696 -2.89563 329.91 -27.4353 182.29 87.1398 191.281 PRESSAVG: 4395400 13.295 -52.7176 39.3065 -52.7175 14.7902 -14.4242 39.3065 -14.4243 19.2229 GPRESSAVG: 4395400 14.0182 -50.0271 38.9181 -52.6652 14.6142 -16.01 39.7483 -13.3018 18.6638 TIMING: 4395400 CPU: 13948.6, 0.00316218/step Wall: 13948.6, 0.00316219/step, 0.531071 hours remaining, 240.808594 MB of memory in use. ENERGY: 4395400 3963.0308 20577.7961 14492.7252 238.6987 -203562.2991 2336.1098 0.0000 0.0000 51959.1827 -109994.7559 298.6101 -161953.9385 -109639.2153 298.2965 178.9447 208.7048 758206.3972 15.7694 15.7654 PRESSURE: 4395600 -15.1005 104.16 -246.696 104.16 192.326 85.5985 -246.697 85.5987 -65.4152 GPRESSURE: 4395600 -88.7953 -12.8805 -216.144 63.4599 209.926 105.097 -96.293 48.3946 84.5276 PRESSAVG: 4395600 -37.7131 0.852368 -18.9995 0.852406 -0.773912 -28.9725 -18.9996 -28.9725 -12.172 GPRESSAVG: 4395600 -38.2589 0.0715776 -18.2772 -0.643508 -0.854876 -26.2718 -20.1401 -32.6419 -11.8273 TIMING: 4395600 CPU: 13949.3, 0.00313274/step Wall: 13949.3, 0.00313274/step, 0.525952 hours remaining, 240.808594 MB of memory in use. ENERGY: 4395600 3913.9707 20534.3988 14400.8262 249.9066 -203726.8496 2755.2966 0.0000 0.0000 51915.0604 -109957.3902 298.3566 -161872.4506 -109602.3482 298.2808 37.2701 68.5529 759346.2362 -16.8863 -16.9804 PRESSURE: 4395800 -2.22596 -67.3056 95.8438 -67.3063 182.536 114.014 95.8435 114.014 -189.508 GPRESSURE: 4395800 117.872 -41.8261 161.401 -15.707 176.834 92.5152 69.4843 204.519 -208.943 PRESSAVG: 4395800 2.78874 -44.206 -21.7233 -44.206 0.595812 -7.22749 -21.7233 -7.22748 -34.3442 GPRESSAVG: 4395800 2.5111 -43.6411 -22.5294 -43.6582 1.68039 -9.34723 -21.4547 -4.44332 -34.7665 TIMING: 4395800 CPU: 13949.9, 0.00314739/step Wall: 13949.9, 0.00314739/step, 0.528236 hours remaining, 240.808594 MB of memory in use. ENERGY: 4395800 3947.7320 20303.4094 14454.4425 239.1939 -203579.5859 2623.7875 0.0000 0.0000 51879.1238 -110131.8968 298.1500 -162011.0207 -109756.9950 298.4197 -3.0662 28.5875 759054.9512 -10.3199 -10.1917 PRESSURE: 4396000 427.725 -146.784 -20.8853 -146.784 220.924 29.3533 -20.8852 29.3533 360.436 GPRESSURE: 4396000 401.462 -62.1488 -23.786 -38.5393 296.802 55.4338 50.7842 -7.75702 377.766 PRESSAVG: 4396000 15.0515 -39.5605 19.7777 -39.5605 39.6135 -45.4629 19.7777 -45.463 7.40346 GPRESSAVG: 4396000 13.7951 -38.7086 20.236 -39.458 39.3909 -44.5289 20.0291 -47.6026 8.51976 TIMING: 4396000 CPU: 13950.5, 0.00315425/step Wall: 13950.5, 0.00315425/step, 0.529212 hours remaining, 240.808594 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: 4396000 3935.2405 20418.5064 14471.0473 238.0302 -204130.0899 2776.7709 0.0000 0.0000 52129.3452 -110161.1494 299.5881 -162290.4946 -109796.7524 298.0804 336.3616 358.6766 758896.8105 20.6895 20.5686 PRESSURE: 4396200 -68.9553 123.439 -107.397 123.438 223.039 -211.056 -107.398 -211.055 -75.2609 GPRESSURE: 4396200 -49.0916 -13.9742 -137.632 89.6962 234.75 -218.734 -58.5052 -101.239 -41.2814 PRESSAVG: 4396200 12.4144 -62.4289 9.33739 -62.4289 -43.4015 5.07998 9.3374 5.07998 2.59061 GPRESSAVG: 4396200 11.7802 -63.9528 8.72132 -61.7071 -42.4815 5.87117 9.6732 7.28307 2.38641 TIMING: 4396200 CPU: 13951.2, 0.00314996/step Wall: 13951.2, 0.00314996/step, 0.528318 hours remaining, 240.808594 MB of memory in use. ENERGY: 4396200 3967.0030 20465.2430 14475.1924 245.4175 -203647.6447 2693.0772 0.0000 0.0000 51938.8459 -109862.8658 298.4933 -161801.7117 -109505.4036 298.3454 26.2744 48.1258 761623.8291 -9.4655 -9.4383 LDB: ============= START OF LOAD BALANCING ============== 13963.6 LDB: ============== END OF LOAD BALANCING =============== 13963.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13963.6 LDB: ============= START OF LOAD BALANCING ============== 13963.9 LDB: Largest compute 7078 load 0.035129 is 18.0% of average load 0.195464 LDB: Average compute 0.004391 is 2.2% of average load 0.195464 LDB: TIME 13963.9 LOAD: AVG 0.195464 MAX 0.21362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 13963.9 LOAD: AVG 0.195464 MAX 0.21362 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 13963.9 LOAD: AVG 0.195464 MAX 0.21362 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 13963.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13963.9 PRESSURE: 4396400 -206.308 -95.3962 136.937 -95.3967 -245.205 -39.8767 136.937 -39.8751 242.129 GPRESSURE: 4396400 -244.464 -74.4551 112.521 -10.0073 -127.45 -32.1882 201.892 20.4847 251.639 PRESSAVG: 4396400 -3.52347 -54.1661 0.232369 -54.166 45.6096 -19.1588 0.232322 -19.1588 -9.10467 GPRESSAVG: 4396400 -3.18529 -52.3451 1.1793 -53.2411 43.9438 -19.2019 -0.288303 -18.1136 -8.61485 TIMING: 4396400 CPU: 13951.8, 0.00322519/step Wall: 13951.8, 0.00322519/step, 0.540757 hours remaining, 240.093750 MB of memory in use. ENERGY: 4396400 3957.4492 20429.2272 14453.5734 258.4985 -203401.1119 2250.8751 0.0000 0.0000 52008.5267 -110042.9617 298.8937 -162051.4884 -109680.6671 298.7656 -69.7949 -40.0915 760062.2601 10.9938 10.7145 PRESSURE: 4396600 87.2589 -88.9676 -328.72 -88.9685 -88.2757 30.6011 -328.72 30.6 439.883 GPRESSURE: 4396600 121.769 -50.1891 -339.981 -66.6237 -40.8269 -29.1146 -273.192 99.9237 444.206 PRESSAVG: 4396600 -5.5704 -11.3825 0.223325 -11.3826 54.2944 23.5507 0.223386 23.5508 19.3135 GPRESSAVG: 4396600 -6.21983 -12.4005 -0.0152619 -11.3974 54.1228 22.966 1.22181 21.1227 19.4817 TIMING: 4396600 CPU: 13952.4, 0.00315115/step Wall: 13952.4, 0.00315115/step, 0.528167 hours remaining, 240.093750 MB of memory in use. ENERGY: 4396600 3971.3438 20408.2677 14542.9254 242.1476 -203879.8803 2811.6601 0.0000 0.0000 51965.9416 -109937.5941 298.6490 -161903.5357 -109573.4075 298.4323 146.2887 175.0494 760115.9121 22.6792 22.4615 PRESSURE: 4396800 -185.131 -59.7189 27.4409 -59.7198 123.363 -53.0581 27.4399 -53.0584 204.199 GPRESSURE: 4396800 -67.0871 -114.86 -8.50573 -142.581 81.3619 46.5289 -71.3536 -145.055 213.95 PRESSAVG: 4396800 -10.5137 -59.1178 -6.82821 -59.1178 22.0371 19.3201 -6.82818 19.32 -6.57388 GPRESSAVG: 4396800 -9.88548 -59.3646 -6.13633 -60.2541 21.4449 19.6433 -8.48662 21.2247 -7.03666 TIMING: 4396800 CPU: 13953.1, 0.00315623/step Wall: 13953.1, 0.00315623/step, 0.528843 hours remaining, 240.093750 MB of memory in use. ENERGY: 4396800 3985.8868 20397.1474 14465.1098 255.2469 -203719.5966 2698.3968 0.0000 0.0000 52079.5229 -109838.2860 299.3017 -161917.8089 -109466.2837 299.1231 47.4770 76.0747 760174.6622 1.6498 1.5076 PRESSURE: 4397000 -174.978 -46.462 -23.3656 -46.4623 -146.976 -24.8282 -23.3656 -24.8279 -211.588 GPRESSURE: 4397000 -175.229 -29.5686 -64.1833 -71.3091 -22.4309 30.9567 -51.459 -10.4459 -246.531 PRESSAVG: 4397000 47.0481 -22.3295 27.7367 -22.3295 21.8826 -43.0263 27.7367 -43.0263 2.19101 GPRESSAVG: 4397000 48.0107 -24.4902 26.5865 -22.0636 21.8212 -42.3338 28.9254 -45.6472 1.53658 TIMING: 4397000 CPU: 13953.7, 0.00316584/step Wall: 13953.7, 0.00316584/step, 0.530279 hours remaining, 240.093750 MB of memory in use. ENERGY: 4397000 4063.8920 20458.1164 14530.9774 233.5142 -203359.6702 2468.7597 0.0000 0.0000 52129.0339 -109475.3766 299.5863 -161604.4105 -109101.7828 299.4063 -177.8477 -148.0639 761223.5360 23.7072 23.7895 PRESSURE: 4397200 -318.28 -59.6139 23.2022 -59.6136 -337.883 63.9753 23.2028 63.976 -247.814 GPRESSURE: 4397200 -344.823 -71.5504 -42.3914 -102.324 -288.501 23.6198 46.754 88.3706 -186.079 PRESSAVG: 4397200 -20.7273 -55.0118 -9.10137 -55.0117 39.736 24.1809 -9.10127 24.1809 -13.6001 GPRESSAVG: 4397200 -21.9681 -54.3105 -9.13792 -54.5205 40.5612 24.803 -9.18614 23.8935 -13.3003 TIMING: 4397200 CPU: 13954.3, 0.00317569/step Wall: 13954.3, 0.00317569/step, 0.531751 hours remaining, 240.093750 MB of memory in use. ENERGY: 4397200 4053.5985 20724.4643 14483.9637 244.8056 -203288.4080 2342.5920 0.0000 0.0000 52001.3982 -109437.5857 298.8528 -161438.9839 -109071.0419 299.6722 -301.3256 -273.1343 760731.2415 1.8029 1.7643 PRESSURE: 4397400 -173.372 101.409 125.47 101.409 218.994 72.2091 125.47 72.2091 -292.391 GPRESSURE: 4397400 20.2405 144.661 18.599 77.0671 147.355 43.284 106.903 90.7989 -323.573 PRESSAVG: 4397400 -1.9523 -59.9289 15.2339 -59.9289 9.55089 3.16739 15.234 3.16736 23.293 GPRESSAVG: 4397400 -2.38161 -57.2678 15.4161 -61.9712 9.71836 2.26611 16.0719 2.90838 23.7566 TIMING: 4397400 CPU: 13955, 0.00316091/step Wall: 13955, 0.00316092/step, 0.529102 hours remaining, 240.093750 MB of memory in use. ENERGY: 4397400 4004.2153 20508.9922 14492.0309 270.8526 -203251.4164 2389.9504 0.0000 0.0000 52216.5513 -109368.8236 300.0892 -161585.3749 -108996.2812 300.1389 -82.2563 -51.9924 761178.6633 10.2972 10.3644 PRESSURE: 4397600 -236.649 -54.6191 -185.509 -54.6188 -185.576 208.995 -185.509 208.995 -214.874 GPRESSURE: 4397600 -233.091 10.8546 -116.691 -48.4236 -149.728 191.192 -147.812 110.794 -171.393 PRESSAVG: 4397600 -0.924754 -12.1518 -26.9239 -12.1518 -5.13674 59.8528 -26.9239 59.8528 -1.49688 GPRESSAVG: 4397600 0.430185 -10.8397 -29.8412 -13.3378 -6.21042 57.3 -28.0085 60.9085 -2.02136 TIMING: 4397600 CPU: 13955.6, 0.00316913/step Wall: 13955.6, 0.00316913/step, 0.530302 hours remaining, 240.093750 MB of memory in use. ENERGY: 4397600 4006.2461 20370.7691 14498.6762 274.3835 -203048.0667 2386.0913 0.0000 0.0000 52144.5441 -109367.3564 299.6754 -161511.9005 -109006.7314 299.7127 -212.3665 -184.7374 761374.6748 -2.5195 -2.6005 PRESSURE: 4397800 91.8664 -38.0268 -102.482 -38.0271 -492.474 -70.8038 -102.483 -70.8042 -247.289 GPRESSURE: 4397800 62.1848 18.6261 -123.777 -53.7152 -326.392 -43.2599 -148.636 90.3438 -279.639 PRESSAVG: 4397800 -5.90772 -31.109 -24.2839 -31.1091 -28.0963 -3.75527 -24.2839 -3.75531 -39.2553 GPRESSAVG: 4397800 -6.83015 -33.4316 -21.3497 -29.0179 -27.9552 -1.40046 -24.7752 -3.44086 -38.463 TIMING: 4397800 CPU: 13956.2, 0.00315791/step Wall: 13956.2, 0.00315791/step, 0.528248 hours remaining, 240.093750 MB of memory in use. ENERGY: 4397800 4004.0625 20581.6802 14476.5452 244.4282 -203319.7077 2415.2801 0.0000 0.0000 52140.2158 -109457.4957 299.6505 -161597.7114 -109091.3261 299.8023 -215.9656 -181.2821 760412.5675 -24.4198 -24.4161 PRESSURE: 4398000 -323.674 4.21254 135.567 4.21203 278.95 -4.73626 135.567 -4.73651 173.92 GPRESSURE: 4398000 -354.157 12.8319 118.137 -26.3469 348.076 15.3657 180.313 -123.223 215.028 PRESSAVG: 4398000 19.4843 -3.31153 -33.0047 -3.31155 3.08788 20.3896 -33.0047 20.3895 11.4692 GPRESSAVG: 4398000 18.4411 -4.20578 -33.4656 -4.63367 4.81967 20.082 -31.2104 21.1702 10.8597 TIMING: 4398000 CPU: 13956.9, 0.00316385/step Wall: 13956.9, 0.00316385/step, 0.529065 hours remaining, 240.093750 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: 4398000 3977.3349 20535.9214 14514.8291 251.6659 -203712.6311 2703.3227 0.0000 0.0000 52144.9372 -109584.6198 299.6777 -161729.5570 -109222.2787 299.5779 43.0653 69.6491 759994.6376 11.3471 11.3735 PRESSURE: 4398200 -269.243 -177.204 133.65 -177.204 336.667 215.813 133.65 215.813 -618.68 GPRESSURE: 4398200 -283.573 -165.693 64.0394 -183.305 345.957 183.186 -0.964737 175.736 -554.103 PRESSAVG: 4398200 -31.4226 6.18809 -20.2853 6.18816 62.3979 15.92 -20.2853 15.92 -16.8027 GPRESSAVG: 4398200 -30.5746 4.3857 -20.4095 7.45602 61.4812 14.657 -19.9978 14.0568 -16.5493 TIMING: 4398200 CPU: 13957.5, 0.00316896/step Wall: 13957.5, 0.00316896/step, 0.529745 hours remaining, 240.093750 MB of memory in use. ENERGY: 4398200 3985.1820 20578.5233 14400.4846 245.7995 -203351.2551 2358.5857 0.0000 0.0000 52075.3977 -109707.2823 299.2780 -161782.6800 -109336.3560 299.1411 -183.7520 -163.9065 760667.4495 4.7242 4.7858 PRESSURE: 4398400 -155.076 -1.82345 -123.568 -1.82418 -133.858 77.8742 -123.568 77.8737 -99.8093 GPRESSURE: 4398400 -161.207 159.416 -80.5997 66.7102 -8.52866 25.1414 -129.821 35.3491 -138.5 PRESSAVG: 4398400 -37.9308 1.86096 9.75764 1.86097 24.0776 48.6092 9.75767 48.6093 1.34564 GPRESSAVG: 4398400 -38.2306 5.21683 8.89152 1.24636 24.5193 51.1274 9.57996 48.8295 0.659393 TIMING: 4398400 CPU: 13958.1, 0.00315565/step Wall: 13958.1, 0.00315565/step, 0.527345 hours remaining, 240.093750 MB of memory in use. ENERGY: 4398400 3938.6701 20443.5719 14374.6447 241.4664 -203663.0858 2701.9269 0.0000 0.0000 52196.5980 -109766.2078 299.9746 -161962.8058 -109412.0068 298.9726 -129.5813 -102.7453 760399.8205 -4.1692 -4.3506 PRESSURE: 4398600 -42.7005 -128.337 0.342834 -128.337 253.848 59.3059 0.343638 59.3057 71.5227 GPRESSURE: 4398600 14.7902 6.9768 50.7657 -200.029 281.309 99.1761 -59.9782 -29.6857 91.2846 PRESSAVG: 4398600 -5.25757 14.7058 24.1256 14.7058 8.43373 7.34418 24.1257 7.34417 4.62747 GPRESSAVG: 4398600 -4.85468 15.2449 24.3801 12.7116 8.6369 6.32802 21.5714 6.13904 4.39154 TIMING: 4398600 CPU: 13958.8, 0.00316096/step Wall: 13958.8, 0.00316096/step, 0.528056 hours remaining, 240.093750 MB of memory in use. ENERGY: 4398600 3874.6431 20372.9529 14462.4943 237.8399 -203708.5611 2836.9855 0.0000 0.0000 51965.3840 -109958.2614 298.6458 -161923.6454 -109586.0856 298.6999 94.2234 129.1278 759540.1079 2.6012 2.7246 PRESSURE: 4398800 -56.8181 -59.0082 80.4876 -59.0086 -37.0225 92.6642 80.4861 92.6643 -377.565 GPRESSURE: 4398800 14.6549 62.1049 41.6357 42.4806 -110.503 119.098 -45.133 65.9672 -302.883 PRESSAVG: 4398800 -35.9669 -0.519185 -18.2134 -0.519196 30.4493 2.49819 -18.2133 2.4982 -7.79374 GPRESSAVG: 4398800 -36.5338 -2.12586 -17.9648 3.232 30.3974 4.07168 -16.0028 2.748 -7.28269 TIMING: 4398800 CPU: 13959.4, 0.00315966/step Wall: 13959.4, 0.00315966/step, 0.527663 hours remaining, 240.093750 MB of memory in use. ENERGY: 4398800 4081.3393 20428.0918 14493.6213 251.2702 -203319.2965 2403.2774 0.0000 0.0000 51955.4904 -109706.2062 298.5889 -161661.6966 -109343.1541 298.1941 -157.1354 -132.9101 760877.9708 -4.4371 -4.4730 PRESSURE: 4399000 -167.056 -166.554 -69.0091 -166.555 141.893 37.8546 -69.0103 37.8553 -182.925 GPRESSURE: 4399000 -74.5432 -169.158 13.9784 -196.395 110.447 25.1493 -42.9455 127.984 -169.185 PRESSAVG: 4399000 -83.8177 -33.2102 -8.83297 -33.2102 64.8591 25.8172 -8.83295 25.8172 -0.870345 GPRESSAVG: 4399000 -83.7936 -33.4855 -6.36293 -35.0775 64.2707 24.2061 -8.04112 27.6009 -0.398458 TIMING: 4399000 CPU: 13960, 0.00315607/step Wall: 13960, 0.00315607/step, 0.526888 hours remaining, 240.093750 MB of memory in use. ENERGY: 4399000 3964.3272 20480.0826 14577.8267 236.6087 -203415.3383 2369.6403 0.0000 0.0000 52185.4054 -109601.4475 299.9102 -161786.8529 -109233.4251 299.0872 -69.3626 -44.4272 761038.2241 -6.6097 -6.6405 PRESSURE: 4399200 -300.193 90.3268 82.3263 90.3266 5.56678 33.1764 82.3257 33.1762 -139.238 GPRESSURE: 4399200 -318.601 -5.27345 24.5493 29.219 96.8738 65.147 119.447 -165.727 -132.146 PRESSAVG: 4399200 -13.2996 -57.7364 13.9229 -57.7365 3.99257 -18.2086 13.923 -18.2086 7.09678 GPRESSAVG: 4399200 -12.8038 -58.5296 12.3147 -57.8011 3.74692 -17.7432 13.9381 -20.4281 6.62906 TIMING: 4399200 CPU: 13960.7, 0.00315007/step Wall: 13960.7, 0.00315007/step, 0.525711 hours remaining, 240.093750 MB of memory in use. ENERGY: 4399200 3994.4384 20521.5351 14393.7512 242.3463 -203418.0025 2711.9067 0.0000 0.0000 52076.3497 -109477.6750 299.2835 -161554.0248 -109121.8816 299.7830 -144.6216 -117.9579 761786.6969 -0.7368 -0.8093 PRESSURE: 4399400 24.1429 78.1999 180.833 78.1996 118.075 62.9865 180.833 62.9857 302.135 GPRESSURE: 4399400 83.709 137.853 114.396 134.06 174.642 55.0994 220.03 -7.26614 274.775 PRESSAVG: 4399400 28.7559 -73.2997 47.6986 -73.2997 -38.5822 -4.59633 47.6986 -4.59628 11.8282 GPRESSAVG: 4399400 28.0781 -72.3327 47.4356 -71.9629 -36.9904 -4.47207 47.5858 -4.02988 10.7017 TIMING: 4399400 CPU: 13961.3, 0.00316159/step Wall: 13961.3, 0.00316159/step, 0.527458 hours remaining, 240.093750 MB of memory in use. ENERGY: 4399400 3919.8273 20472.3129 14443.4036 236.4694 -203283.7374 2781.7663 0.0000 0.0000 52111.8977 -109318.0602 299.4878 -161429.9579 -108962.7791 299.3308 148.1176 177.7088 762191.4936 0.6673 0.5965 PRESSURE: 4399600 -22.3625 270.961 -106.329 270.961 51.8551 -0.5731 -106.328 -0.573929 140.009 GPRESSURE: 4399600 12.9822 263.543 -8.7453 270.641 54.8766 -27.9428 -26.4061 -13.8196 191.672 PRESSAVG: 4399600 17.6491 -33.4356 -24.2483 -33.4356 -5.00587 -36.1163 -24.2483 -36.1162 12.4871 GPRESSAVG: 4399600 17.0689 -33.681 -23.5821 -34.5268 -5.43526 -35.185 -24.3963 -35.2429 13.1249 TIMING: 4399600 CPU: 13961.9, 0.0031624/step Wall: 13961.9, 0.0031624/step, 0.527417 hours remaining, 240.093750 MB of memory in use. ENERGY: 4399600 3969.8454 20540.1858 14422.9531 209.4177 -203060.5609 2452.4171 0.0000 0.0000 52277.9071 -109187.8347 300.4419 -161465.7418 -108821.9195 299.8000 56.5006 86.5102 760324.6980 8.3767 8.2528 PRESSURE: 4399800 -340.029 -86.5665 48.5475 -86.5657 -21.7012 -104.134 48.548 -104.134 206.289 GPRESSURE: 4399800 -338.142 -77.6489 -47.0662 12.0677 17.7394 -57.6263 1.17871 -162.536 246.985 PRESSAVG: 4399800 -37.0642 -48.2839 33.5602 -48.2839 27.716 8.6324 33.5602 8.63229 -12.6795 GPRESSAVG: 4399800 -37.173 -47.5322 32.9299 -48.1616 27.2291 8.20564 33.6876 10.2139 -12.0456 TIMING: 4399800 CPU: 13962.5, 0.00314564/step Wall: 13962.5, 0.00314564/step, 0.524448 hours remaining, 240.093750 MB of memory in use. ENERGY: 4399800 4044.0792 20478.5926 14463.3840 237.1704 -203229.9491 2376.0515 0.0000 0.0000 52252.4352 -109378.2361 300.2955 -161630.6713 -109015.6822 299.8827 -51.8140 -24.4726 760683.8602 -7.3426 -7.3298 WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4400000 -130.806 44.1662 113.468 44.1664 -332.762 152.059 113.468 152.059 -309.142 GPRESSURE: 4400000 -92.6334 -55.5157 190.219 27.8935 -281.567 212.044 26.8122 16.9142 -300.614 PRESSAVG: 4400000 -52.2328 -20.724 23.9975 -20.724 89.4254 -43.9959 23.9975 -43.9959 22.7362 GPRESSAVG: 4400000 -51.7156 -22.3474 24.3542 -19.3692 89.2003 -43.5823 23.6425 -46.4374 22.432 TIMING: 4400000 CPU: 13963.2, 0.00326565/step Wall: 13963.2, 0.00326565/step, 0.544274 hours remaining, 240.093750 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: 4400000 3979.5462 20315.9240 14416.3548 265.4807 -203063.5598 2418.9738 0.0000 0.0000 52179.9550 -109487.3253 299.8789 -161667.2804 -109115.2275 299.7878 -257.5702 -224.9379 762959.4050 19.9763 19.9723 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 PRESSURE: 4400200 -101.24 -132.92 -40.578 -132.92 -95.1573 269.39 -40.5794 269.39 -93.9822 GPRESSURE: 4400200 -50.4072 -119.846 -42.9967 -186.088 -69.4637 213.269 -3.88482 158.158 -100.286 PRESSAVG: 4400200 -37.7686 -17.1416 -27.6295 -17.1416 18.1377 -2.41398 -27.6295 -2.41397 -17.7053 GPRESSAVG: 4400200 -38.7725 -15.5799 -28.2484 -19.6112 18.8515 -2.838 -26.3145 -2.08281 -17.6997 TIMING: 4400200 CPU: 13963.8, 0.00315226/step Wall: 13963.8, 0.00315226/step, 0.525201 hours remaining, 240.093750 MB of memory in use. ENERGY: 4400200 3947.5152 20495.7896 14481.2112 252.5336 -203684.3819 2709.2650 0.0000 0.0000 52381.0573 -109417.0101 301.0347 -161798.0674 -109052.7808 299.5072 -96.7932 -73.3855 759648.2795 -12.4454 -12.5402 LDB: ============= START OF LOAD BALANCING ============== 13976.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13976.3 LDB: =============== DONE WITH MIGRATION ================ 13976.3 LDB: ============= START OF LOAD BALANCING ============== 13976.6 LDB: Largest compute 7032 load 0.034990 is 17.9% of average load 0.195382 LDB: Average compute 0.004369 is 2.2% of average load 0.195382 LDB: TIME 13976.6 LOAD: AVG 0.195382 MAX 0.216854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 13976.6 LOAD: AVG 0.195382 MAX 0.216854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 13976.6 LOAD: AVG 0.195382 MAX 0.216854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 13976.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13976.6 PRESSURE: 4400400 146.625 -154.305 69.8657 -154.306 399.897 29.0303 69.8648 29.0302 208.722 GPRESSURE: 4400400 240.274 -161.482 14.7825 -116.002 435.884 -34.7247 93.9658 161.329 153.155 PRESSAVG: 4400400 -29.5353 -32.3365 34.6813 -32.3365 52.6934 5.70851 34.6814 5.70853 8.61802 GPRESSAVG: 4400400 -29.0548 -32.0752 35.1033 -31.4461 52.3103 4.20369 34.027 6.815 8.62412 TIMING: 4400400 CPU: 13964.5, 0.00319823/step Wall: 13964.5, 0.00319823/step, 0.532683 hours remaining, 240.347656 MB of memory in use. ENERGY: 4400400 3961.5241 20448.2539 14390.8150 231.2929 -203777.6039 2845.5520 0.0000 0.0000 52213.8175 -109686.3483 300.0735 -161900.1659 -109319.9982 300.1353 251.7479 276.4374 757435.8136 10.5920 10.6265 PRESSURE: 4400600 350.527 12.2608 -234.363 12.2597 70.5761 -19.1088 -234.364 -19.1091 -353.175 GPRESSURE: 4400600 314.622 126.289 -245.505 33.1614 101.782 -78.4819 -199.504 -29.6104 -256.182 PRESSAVG: 4400600 8.91537 -1.13277 22.0622 -1.1327 68.4715 -28.2226 22.0622 -28.2225 -9.63904 GPRESSAVG: 4400600 8.73758 -3.02182 21.93 -0.972529 69.2941 -27.5973 21.1048 -27.886 -10.1331 TIMING: 4400600 CPU: 13965.1, 0.0031414/step Wall: 13965.1, 0.0031414/step, 0.523043 hours remaining, 240.550781 MB of memory in use. ENERGY: 4400600 3966.0645 20612.6508 14421.0466 258.8058 -203531.8408 2705.0330 0.0000 0.0000 51856.7872 -109711.4528 298.0217 -161568.2401 -109357.9732 299.0847 22.6426 53.4076 758894.5186 22.5826 22.6329 PRESSURE: 4400800 -314.768 13.8707 125.23 13.8704 -16.1022 23.9302 125.23 23.9305 163.638 GPRESSURE: 4400800 -249.377 43.8491 121.405 -102.926 88.4355 53.7163 97.9314 -0.194387 88.6124 PRESSAVG: 4400800 -5.02464 -0.805612 -16.3162 -0.805492 6.24313 40.722 -16.3161 40.722 7.34865 GPRESSAVG: 4400800 -6.32091 0.285911 -17.7934 -0.448371 5.8153 41.2674 -14.8725 40.5993 8.4356 TIMING: 4400800 CPU: 13965.7, 0.00314954/step Wall: 13965.7, 0.00314954/step, 0.524223 hours remaining, 240.550781 MB of memory in use. ENERGY: 4400800 3976.2931 20477.7012 14402.9434 233.0595 -203593.5729 2771.1423 0.0000 0.0000 52143.4092 -109589.0242 299.6689 -161732.4335 -109230.9736 299.5554 -55.7441 -24.1097 760149.0562 2.8557 2.6433 PRESSURE: 4401000 180.876 -181.505 16.1131 -181.505 126.318 -133.529 16.1122 -133.53 145.288 GPRESSURE: 4401000 86.6305 -187.85 52.9757 -52.812 214.936 -168.1 -52.4054 -121.955 243.958 PRESSAVG: 4401000 12.0646 -58.6502 13.5312 -58.6501 -13.8044 18.0644 13.5312 18.0644 2.4218 GPRESSAVG: 4401000 12.4203 -57.1253 15.404 -59.2172 -12.9579 16.841 12.84 15.2654 0.818121 TIMING: 4401000 CPU: 13966.4, 0.003135/step Wall: 13966.4, 0.003135/step, 0.521629 hours remaining, 240.550781 MB of memory in use. ENERGY: 4401000 3914.7496 20504.4160 14426.3019 221.7003 -203805.0636 2792.1744 0.0000 0.0000 52227.1358 -109718.5856 300.1501 -161945.7214 -109362.1189 299.5612 150.8273 181.8416 758360.8542 0.2273 0.0935 PRESSURE: 4401200 -35.1836 -199.391 -212.344 -199.392 -50.6253 175.895 -212.344 175.895 98.4956 GPRESSURE: 4401200 -9.50571 -246.877 -278.87 -85.4059 44.0723 285.997 -177.947 62.5386 58.5985 PRESSAVG: 4401200 17.9957 -57.9822 26.9263 -57.9822 -19.3244 6.68199 26.9262 6.68195 6.59749 GPRESSAVG: 4401200 18.3954 -58.9008 25.4035 -58.035 -20.2618 6.7208 25.6621 8.10437 6.94487 TIMING: 4401200 CPU: 13967, 0.0031473/step Wall: 13967, 0.0031473/step, 0.523501 hours remaining, 240.550781 MB of memory in use. ENERGY: 4401200 4008.3968 20451.6590 14474.9576 261.9503 -203352.1970 2552.9706 0.0000 0.0000 52322.4665 -109279.7960 300.6979 -161602.2626 -108912.6954 299.7222 4.2289 31.0550 761037.8884 1.7563 1.6928 PRESSURE: 4401400 -314.59 -77.542 -144.16 -77.5418 -200.24 -169.83 -144.16 -169.83 -484.572 GPRESSURE: 4401400 -301.06 -150.908 -97.7708 -103.166 -123.317 -207.729 -176.764 -124.318 -480.903 PRESSAVG: 4401400 40.099 -64.4001 23.9536 -64.4001 -23.932 -6.96924 23.9536 -6.96924 7.95692 GPRESSAVG: 4401400 39.2135 -65.6709 24.7592 -63.4084 -23.2359 -7.26202 22.7394 -5.70823 8.86962 TIMING: 4401400 CPU: 13967.6, 0.00314437/step Wall: 13967.6, 0.00314437/step, 0.522839 hours remaining, 240.550781 MB of memory in use. ENERGY: 4401400 3965.9344 20567.0455 14481.9413 228.4299 -203103.5773 2314.4957 0.0000 0.0000 52481.1358 -109064.5949 301.6098 -161545.7307 -108698.8465 300.3345 -333.1339 -301.7602 759170.4612 8.0413 8.2824 PRESSURE: 4401600 -596.686 -73.3651 -113.038 -73.3655 107.922 54.8333 -113.037 54.8336 -349.07 GPRESSURE: 4401600 -543.072 -142.27 -105.506 -45.5067 101.144 130.531 35.4409 90.0698 -321.865 PRESSAVG: 4401600 50.1028 -84.5457 -65.3012 -84.5456 -26.1724 8.18314 -65.3012 8.18319 18.258 GPRESSAVG: 4401600 51.2587 -84.1047 -65.7678 -83.925 -25.9981 7.95994 -59.326 7.0744 17.1533 TIMING: 4401600 CPU: 13968.2, 0.00314299/step Wall: 13968.2, 0.00314299/step, 0.522435 hours remaining, 240.550781 MB of memory in use. ENERGY: 4401600 3963.9130 20569.0489 14471.7342 243.7884 -203052.4146 2249.5565 0.0000 0.0000 52041.6393 -109512.7343 299.0840 -161554.3736 -109152.1321 299.7179 -279.2778 -254.5977 761468.1805 14.0628 14.1379 PRESSURE: 4401800 -231.806 119.382 40.1635 119.382 -628.704 -46.1453 40.1633 -46.1449 41.4383 GPRESSURE: 4401800 -133.704 161.169 -57.252 83.584 -613.356 -91.6545 75.502 112.944 0.240998 PRESSAVG: 4401800 16.7558 -11.825 9.64504 -11.8249 -48.8975 -40.3524 9.64502 -40.3524 -15.1182 GPRESSAVG: 4401800 16.8159 -11.6674 7.92963 -13.2138 -49.7499 -39.8964 6.68141 -39.4087 -14.5679 TIMING: 4401800 CPU: 13968.9, 0.00312758/step Wall: 13968.9, 0.00312758/step, 0.519699 hours remaining, 240.550781 MB of memory in use. ENERGY: 4401800 4002.6501 20564.6619 14465.2625 239.9841 -203354.9489 2507.3246 0.0000 0.0000 52102.1450 -109472.9207 299.4317 -161575.0657 -109114.6896 299.1684 -273.0242 -248.9396 762171.0266 -15.7533 -15.8340 PRESSURE: 4402000 136.631 -71.4744 -131.433 -71.4741 213.189 52.7431 -131.432 52.7427 170.06 GPRESSURE: 4402000 92.2799 -121.016 -165.177 -32.0387 268.457 42.6383 -51.5215 -37.3497 259.306 PRESSAVG: 4402000 46.1263 -109.173 13.5184 -109.173 -33.5464 -22.9557 13.5185 -22.9557 21.3317 GPRESSAVG: 4402000 45.4076 -107.703 16.2935 -109.438 -33.1611 -22.6647 11.1532 -24.1517 21.4116 TIMING: 4402000 CPU: 13969.5, 0.00312841/step Wall: 13969.5, 0.00312841/step, 0.519664 hours remaining, 240.550781 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: 4402000 3887.5904 20545.5079 14503.5599 254.9544 -203619.7306 2941.0300 0.0000 0.0000 52215.3316 -109271.7564 300.0822 -161487.0880 -108903.9090 299.4106 173.2935 206.6812 761392.7025 11.3038 11.2194 PRESSURE: 4402200 -92.6805 27.436 87.4788 27.4359 -75.4602 212.939 87.4791 212.94 -315.955 GPRESSURE: 4402200 21.7003 174.62 84.0726 105.262 -56.4728 149.173 191.96 237.544 -339.146 PRESSAVG: 4402200 -8.40078 -36.6854 18.9859 -36.6854 14.1611 -19.6998 18.9859 -19.6998 -7.29795 GPRESSAVG: 4402200 -7.89313 -37.9839 18.9187 -35.3067 14.4602 -19.6698 19.3762 -18.0935 -7.69789 TIMING: 4402200 CPU: 13970.1, 0.00314281/step Wall: 13970.1, 0.00314281/step, 0.521882 hours remaining, 240.550781 MB of memory in use. ENERGY: 4402200 4025.1306 20493.1745 14431.9614 226.3545 -203177.9688 2436.4739 0.0000 0.0000 52238.6998 -109326.1741 300.2165 -161564.8739 -108954.8312 300.5465 -161.3652 -124.6395 760773.5790 -0.5125 -0.3769 PRESSURE: 4402400 72.7942 106.749 -176.927 106.749 169.286 110.364 -176.928 110.363 492.428 GPRESSURE: 4402400 139.931 19.9488 -172.58 69.4481 140.75 -17.7061 -190.401 198.274 527.902 PRESSAVG: 4402400 -32.1985 -8.15155 56.7502 -8.15157 14.2483 5.75599 56.7502 5.75597 -22.6192 GPRESSAVG: 4402400 -33.4463 -8.16208 56.022 -9.85903 14.5016 5.08948 56.6308 6.22782 -21.8608 TIMING: 4402400 CPU: 13970.8, 0.00315025/step Wall: 13970.8, 0.00315025/step, 0.522942 hours remaining, 240.550781 MB of memory in use. ENERGY: 4402400 4018.5408 20451.3042 14513.4106 264.1289 -203398.6871 2608.5181 0.0000 0.0000 52113.6170 -109429.1676 299.4977 -161542.7846 -109071.5023 299.9300 244.8361 269.5275 760511.8936 -13.5231 -13.6018 PRESSURE: 4402600 203.912 -60.2441 22.2154 -60.244 -16.4651 26.5112 22.2153 26.5112 -253.445 GPRESSURE: 4402600 163.391 41.8918 16.0333 -70.9757 116.891 51.7066 80.7982 -32.0732 -273.167 PRESSAVG: 4402600 -19.0078 38.967 34.7961 38.9669 42.6404 -33.9618 34.7962 -33.9616 8.36379 GPRESSAVG: 4402600 -18.3134 40.6333 35.3563 38.9674 42.0148 -34.0226 34.9501 -34.6052 8.42392 TIMING: 4402600 CPU: 13971.4, 0.00317659/step Wall: 13971.4, 0.00317659/step, 0.527138 hours remaining, 240.550781 MB of memory in use. ENERGY: 4402600 4036.6174 20529.4676 14398.0940 257.2471 -203835.5690 2834.1234 0.0000 0.0000 52099.9884 -109680.0311 299.4193 -161780.0195 -109330.9243 299.6082 -21.9993 2.3717 760337.5857 10.6655 10.7085 PRESSURE: 4402800 105.901 78.5096 112.943 78.5092 174.67 -55.5346 112.942 -55.5345 58.1534 GPRESSURE: 4402800 201.82 213.128 59.4159 54.945 161.119 -177.594 93.507 -7.0658 48.8003 PRESSAVG: 4402800 -30.3405 -23.7627 33.4065 -23.7628 17.6382 8.03912 33.4065 8.03916 -22.7169 GPRESSAVG: 4402800 -30.3407 -26.512 32.5323 -22.082 17.9246 8.29462 34.6877 7.39427 -22.7858 TIMING: 4402800 CPU: 13972, 0.00316185/step Wall: 13972, 0.00316185/step, 0.524516 hours remaining, 240.550781 MB of memory in use. ENERGY: 4402800 4006.4757 20545.4615 14432.2303 261.7044 -203922.1193 2683.0175 0.0000 0.0000 52149.7777 -109843.4522 299.7055 -161993.2300 -109475.9509 299.1489 112.9081 137.2465 759689.5625 -11.8064 -11.7340 PRESSURE: 4403000 -27.7026 -35.151 -249.147 -35.151 -95.3969 83.4536 -249.147 83.4533 -195.307 GPRESSURE: 4403000 -40.2281 31.2116 -273.373 -14.644 -46.8624 33.3211 -203.631 218.193 -157.676 PRESSAVG: 4403000 5.0282 -62.8244 19.1615 -62.8244 5.74914 29.0447 19.1615 29.0446 22.8033 GPRESSAVG: 4403000 4.71312 -62.8369 19.3796 -63.4834 5.3639 27.9007 19.4692 31.7879 23.4904 TIMING: 4403000 CPU: 13972.7, 0.00315865/step Wall: 13972.7, 0.00315865/step, 0.523809 hours remaining, 240.550781 MB of memory in use. ENERGY: 4403000 3926.0642 20490.1937 14468.7673 220.1636 -203400.6750 2517.7255 0.0000 0.0000 51894.5571 -109883.2034 298.2387 -161777.7606 -109527.5343 299.0012 -106.1354 -81.5889 761039.6039 11.1935 11.1891 PRESSURE: 4403200 -254.709 -194.544 -82.2064 -194.544 -422.359 -64.6717 -82.2065 -64.6711 -485.86 GPRESSURE: 4403200 -150.522 -101.259 -8.39322 -162.619 -426.419 -13.7418 19.5553 -134.012 -499.547 PRESSAVG: 4403200 20.5244 -61.1894 0.541281 -61.1893 19.3304 8.37133 0.541305 8.37135 -8.76922 GPRESSAVG: 4403200 21.145 -60.1334 2.24534 -60.2296 19.7355 8.53064 -3.38975 6.92581 -9.73152 TIMING: 4403200 CPU: 13973.3, 0.00314741/step Wall: 13973.3, 0.00314741/step, 0.52177 hours remaining, 240.550781 MB of memory in use. ENERGY: 4403200 4013.1709 20622.0535 14509.5655 242.1744 -203732.2216 2569.4602 0.0000 0.0000 51885.7841 -109890.0129 298.1883 -161775.7970 -109531.5972 298.4788 -387.6426 -358.8296 760322.9050 10.3619 10.3830 PRESSURE: 4403400 -187.956 34.8972 62.4257 34.8968 -15.4628 83.3176 62.4259 83.3175 263.544 GPRESSURE: 4403400 -117.296 -14.7189 116.383 20.1595 -9.81224 173.238 49.4837 111.39 270.344 PRESSAVG: 4403400 -44.3194 -2.84883 3.45183 -2.84886 58.9146 5.38745 3.45183 5.38746 -14.4981 GPRESSAVG: 4403400 -44.1501 -3.96157 1.96365 -3.33848 58.4671 5.80935 6.09018 4.1069 -13.9433 TIMING: 4403400 CPU: 13973.9, 0.00314527/step Wall: 13973.9, 0.00314528/step, 0.521242 hours remaining, 240.550781 MB of memory in use. ENERGY: 4403400 3963.6052 20452.2675 14399.1227 256.8532 -203622.3171 2654.1108 0.0000 0.0000 52018.3172 -109878.0405 298.9500 -161896.3577 -109516.1977 298.1862 20.0417 47.7454 760987.3507 0.0324 0.1245 PRESSURE: 4403600 -200.575 -59.2356 73.6629 -59.2359 -70.7712 35.5499 73.6631 35.5493 -78.5097 GPRESSURE: 4403600 -121.588 -198.075 180.313 -33.5621 -17.6567 42.0988 65.5842 -54.2522 -103.398 PRESSAVG: 4403600 28.6713 -20.3623 27.9608 -20.3623 -10.574 20.4369 27.9607 20.4368 -1.49285 GPRESSAVG: 4403600 29.4141 -21.2819 28.4969 -21.2182 -11.4453 20.7362 29.2738 21.6752 -1.39125 TIMING: 4403600 CPU: 13974.5, 0.00315343/step Wall: 13974.5, 0.00315343/step, 0.522418 hours remaining, 240.550781 MB of memory in use. ENERGY: 4403600 4039.9535 20530.5731 14465.7156 250.7962 -203567.8502 2518.4359 0.0000 0.0000 51913.7414 -109848.6344 298.3490 -161762.3759 -109493.0992 298.6589 -116.6185 -80.8809 761535.0306 5.5348 5.5258 PRESSURE: 4403800 -159.564 -159.781 140.751 -159.781 -197.143 -53.9663 140.751 -53.966 29.2859 GPRESSURE: 4403800 -163.742 -85.0818 171.083 -117.648 -80.616 -73.1199 148.497 27.8982 -7.11005 PRESSAVG: 4403800 -39.2094 -80.7114 29.1203 -80.7114 63.1797 45.0195 29.1204 45.0194 -0.518272 GPRESSAVG: 4403800 -40.9061 -79.6295 29.1212 -79.962 64.195 43.7629 27.5443 44.6932 0.0015523 TIMING: 4403800 CPU: 13975.2, 0.00313168/step Wall: 13975.2, 0.00313168/step, 0.518641 hours remaining, 240.550781 MB of memory in use. ENERGY: 4403800 4015.9250 20565.4090 14380.1418 244.1050 -203418.2349 2593.4445 0.0000 0.0000 51937.9840 -109681.2256 298.4883 -161619.2096 -109317.7323 298.7807 -109.1404 -83.8228 761844.9693 7.8173 7.7635 PRESSURE: 4404000 505.947 -171.291 -55.9964 -171.291 63.4756 -443.251 -55.9959 -443.251 97.4979 GPRESSURE: 4404000 386.651 -208.102 29.8832 -156.46 181.942 -343.139 38.886 -285.369 185.699 PRESSAVG: 4404000 -10.0678 -40.734 42.5356 -40.734 13.5656 -22.3682 42.5356 -22.3681 21.5181 GPRESSAVG: 4404000 -10.689 -41.6273 43.576 -41.503 14.0761 -21.0473 42.0513 -22.2447 21.5742 TIMING: 4404000 CPU: 13975.8, 0.00314327/step Wall: 13975.8, 0.00314327/step, 0.520385 hours remaining, 240.550781 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: 4404000 3905.0243 20486.2614 14481.8377 265.8549 -203493.9843 2540.9786 0.0000 0.0000 52000.3464 -109813.6809 298.8467 -161814.0273 -109451.9565 298.7908 222.3069 251.4307 759738.6165 8.3386 8.3204 PRESSURE: 4404200 162.947 137.76 6.91159 137.76 -263.587 173.164 6.91112 173.163 296.274 GPRESSURE: 4404200 258.195 97.6393 -61.1564 92.3583 -164.262 174.711 -43.6995 154.73 190.543 PRESSAVG: 4404200 -42.1297 -51.3236 -14.9836 -51.3236 60.8963 60.7912 -14.9836 60.7912 -13.4624 GPRESSAVG: 4404200 -40.0614 -50.9023 -17.6694 -47.4572 60.5063 59.8857 -14.9476 59.9986 -15.4061 TIMING: 4404200 CPU: 13976.4, 0.00313643/step Wall: 13976.4, 0.00313643/step, 0.519079 hours remaining, 240.550781 MB of memory in use. ENERGY: 4404200 4007.6223 20540.8216 14514.7941 266.7517 -203123.4500 2428.1553 0.0000 0.0000 51742.6113 -109622.6937 297.3655 -161365.3050 -109268.6053 299.0132 65.2113 94.8256 759919.6322 1.7681 1.6796 LDB: ============= START OF LOAD BALANCING ============== 13988.9 LDB: ============== END OF LOAD BALANCING =============== 13988.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13988.9 LDB: ============= START OF LOAD BALANCING ============== 13989.2 LDB: Largest compute 7078 load 0.035215 is 18.0% of average load 0.195532 LDB: Average compute 0.004393 is 2.2% of average load 0.195532 LDB: TIME 13989.2 LOAD: AVG 0.195532 MAX 0.217107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.148 MB LDB: TIME 13989.2 LOAD: AVG 0.195532 MAX 0.217107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.246 MB LDB: TIME 13989.2 LOAD: AVG 0.195532 MAX 0.217107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.246 MB LDB: ============== END OF LOAD BALANCING =============== 13989.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13989.2 Info: useSync: 0 useProxySync: 0 PRESSURE: 4404400 -24.7215 -76.2049 -422.28 -76.2055 -15.7254 -124.989 -422.281 -124.988 99.3605 GPRESSURE: 4404400 39.401 85.5283 -327.813 -51.3231 -41.0832 -176.945 -407.161 -270.205 139.034 PRESSAVG: 4404400 -35.1885 17.6581 -10.5497 17.6581 35.1895 23.6986 -10.5497 23.6985 6.66665 GPRESSAVG: 4404400 -36.9545 18.3996 -9.50562 11.2809 35.1294 23.2719 -9.53086 25.3798 8.75052 TIMING: 4404400 CPU: 13977.1, 0.00321061/step Wall: 13977.1, 0.00321061/step, 0.531177 hours remaining, 241.320312 MB of memory in use. ENERGY: 4404400 3979.4007 20638.6677 14493.8440 252.0837 -203148.5122 2393.1111 0.0000 0.0000 51830.7956 -109560.6094 297.8723 -161391.4050 -109195.5013 299.3990 19.6379 45.7841 760999.8143 2.2226 2.3084 PRESSURE: 4404600 0.883096 -271.285 52.0889 -271.285 -165.966 -127.221 52.089 -127.22 228.076 GPRESSURE: 4404600 100.349 -167.603 18.8708 -207.903 -125.325 -201.742 281.142 -19.4972 181.86 PRESSAVG: 4404600 34.6892 -38.4704 -28.1145 -38.4704 -9.98491 10.7492 -28.1145 10.7492 5.99867 GPRESSAVG: 4404600 35.8322 -38.131 -28.8271 -33.2389 -9.32571 12.4669 -26.978 8.93093 4.58536 TIMING: 4404600 CPU: 13977.7, 0.00314324/step Wall: 13977.7, 0.00314324/step, 0.519857 hours remaining, 241.320312 MB of memory in use. ENERGY: 4404600 4006.9167 20517.4026 14505.9613 224.8511 -203599.7197 2475.4476 0.0000 0.0000 52215.7353 -109653.4052 300.0845 -161869.1405 -109288.1108 299.7533 20.9977 52.2947 758459.1486 10.2343 10.3639 PRESSURE: 4404800 -221.214 48.7264 228.432 48.725 -39.6331 -127.369 228.432 -127.369 56.3274 GPRESSURE: 4404800 -140.593 94.9557 258.537 -3.25289 -51.1046 -177.124 253.272 -103.911 71.1718 PRESSAVG: 4404800 5.23527 -29.9833 6.96652 -29.9833 47.8229 -21.3329 6.96645 -21.3329 9.60087 GPRESSAVG: 4404800 3.96128 -29.3844 8.76759 -31.3734 47.5437 -21.2577 6.05862 -19.5641 10.4716 TIMING: 4404800 CPU: 13978.3, 0.00315648/step Wall: 13978.3, 0.00315648/step, 0.521871 hours remaining, 241.320312 MB of memory in use. ENERGY: 4404800 4034.7410 20652.2008 14445.8065 257.2066 -203602.9375 2458.3634 0.0000 0.0000 52468.9467 -109285.6727 301.5398 -161754.6193 -108918.0568 300.5538 -68.1733 -40.1753 759756.7479 20.8863 20.6589 PRESSURE: 4405000 -405.22 -70.4769 -103.814 -70.4773 -495.231 -189.926 -103.814 -189.926 -283.777 GPRESSURE: 4405000 -359.861 -107.302 -76.023 -50.7675 -483.154 -242.585 -134.219 -141.812 -284.153 PRESSAVG: 4405000 49.2535 -22.5353 18.928 -22.5353 -13.9381 5.61366 18.9281 5.61367 6.46402 GPRESSAVG: 4405000 49.6088 -22.7475 18.2859 -23.6766 -13.2576 4.3075 16.4338 4.66037 5.9494 TIMING: 4405000 CPU: 13979, 0.0031551/step Wall: 13979, 0.0031551/step, 0.521468 hours remaining, 241.320312 MB of memory in use. ENERGY: 4405000 4022.6351 20683.6418 14459.1812 253.5338 -203022.6588 2230.2702 0.0000 0.0000 52173.7707 -109199.6261 299.8434 -161373.3968 -108842.9031 300.0928 -394.7429 -375.7228 762395.7672 13.9265 14.1002 PRESSURE: 4405200 51.6794 -219.851 -60.0275 -219.852 105.322 116.695 -60.0277 116.695 184.742 GPRESSURE: 4405200 133.177 -174.416 -72.9822 -227.859 216.996 114.514 -78.3933 145.945 96.1838 PRESSAVG: 4405200 -0.702753 -42.1111 -38.9822 -42.1111 -15.6605 -38.0165 -38.9822 -38.0164 -0.927398 GPRESSAVG: 4405200 0.456536 -42.5665 -36.4633 -39.8944 -16.3391 -36.8769 -39.4357 -37.1693 -0.995791 TIMING: 4405200 CPU: 13979.6, 0.00314892/step Wall: 13979.6, 0.00314892/step, 0.520271 hours remaining, 241.320312 MB of memory in use. ENERGY: 4405200 4028.6531 20660.1847 14518.7899 261.5542 -203273.8352 2477.7798 0.0000 0.0000 52045.1836 -109281.6899 299.1044 -161326.8735 -108923.6534 300.3576 113.9146 148.7857 759757.2322 -5.7635 -5.6261 PRESSURE: 4405400 -37.6889 -114.216 38.8975 -114.217 -219.557 -139.027 38.8977 -139.027 93.3143 GPRESSURE: 4405400 -64.6589 -56.5074 85.7279 -39.9419 -165.88 -181.145 69.7838 -71.9836 138.163 PRESSAVG: 4405400 29.6382 -4.25933 7.41846 -4.25937 10.9192 49.2976 7.41845 49.2976 10.8699 GPRESSAVG: 4405400 29.1168 -2.65852 6.06393 -7.27002 10.6109 49.8551 8.92896 47.9657 11.7718 TIMING: 4405400 CPU: 13980.2, 0.00314911/step Wall: 13980.2, 0.00314911/step, 0.520128 hours remaining, 241.320312 MB of memory in use. ENERGY: 4405400 3947.1968 20635.2862 14449.5021 241.1811 -203921.2228 2721.6681 0.0000 0.0000 52443.6912 -109482.6974 301.3946 -161926.3886 -109111.0524 300.3820 -54.6439 -30.7920 760988.3267 17.1424 17.1665 PRESSURE: 4405600 -296.664 -94.7703 -128.715 -94.7696 -146.066 108.433 -128.716 108.433 -139.447 GPRESSURE: 4405600 -186.556 -69.4976 -117.325 33.9884 -158.571 148.38 -171.32 146.688 -167.107 PRESSAVG: 4405600 -16.7888 -6.62428 23.499 -6.6242 46.8287 24.628 23.499 24.6279 -16.3918 GPRESSAVG: 4405600 -16.9764 -10.2227 22.4962 -2.62302 47.1872 22.9095 22.7947 27.622 -16.9806 TIMING: 4405600 CPU: 13980.8, 0.00316054/step Wall: 13980.8, 0.00316054/step, 0.52184 hours remaining, 241.320312 MB of memory in use. ENERGY: 4405600 4064.2325 20681.7348 14477.1598 274.5691 -203350.2192 2500.4802 0.0000 0.0000 52123.9318 -109228.1110 299.5570 -161352.0428 -108876.1363 300.4453 -194.0591 -170.7448 761686.7505 4.5494 4.4101 PRESSURE: 4405800 -295.003 21.258 -150.33 21.2571 -280.406 107.269 -150.329 107.268 -216.17 GPRESSURE: 4405800 -294.837 -47.3422 -186.12 72.9895 -232.569 168.172 -95.0878 190.167 -197.793 PRESSAVG: 4405800 -39.046 -11.0882 31.8263 -11.0882 5.18051 31.3541 31.8263 31.3541 -1.22337 GPRESSAVG: 4405800 -37.1276 -9.13648 31.5552 -13.3693 3.58746 30.7749 31.7169 29.1828 -1.43811 TIMING: 4405800 CPU: 13981.5, 0.00316879/step Wall: 13981.5, 0.00316879/step, 0.523027 hours remaining, 241.320312 MB of memory in use. ENERGY: 4405800 4041.3360 20641.0450 14438.4386 225.4880 -203588.1421 2554.0636 0.0000 0.0000 52270.0552 -109417.7157 300.3967 -161687.7709 -109042.5956 300.5832 -263.8597 -241.7333 759880.5461 -11.6963 -11.6594 PRESSURE: 4406000 -33.7571 223.54 7.40719 223.539 11.7268 16.0965 7.40777 16.0973 134.043 GPRESSURE: 4406000 -1.66948 114.639 -34.3269 225.847 -20.6319 4.28963 63.9112 70.7597 203.541 PRESSAVG: 4406000 -29.0623 -25.466 4.97117 -25.4661 13.7179 7.74453 4.97112 7.74454 -5.34706 GPRESSAVG: 4406000 -31.3735 -25.1989 4.71828 -27.8631 15.3736 10.1124 5.84707 7.25455 -4.81592 TIMING: 4406000 CPU: 13982.1, 0.00316868/step Wall: 13982.1, 0.00316868/step, 0.522832 hours remaining, 241.320312 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: 4406000 3996.9096 20518.1976 14461.4621 253.4694 -203691.8118 2618.9219 0.0000 0.0000 52257.7586 -109585.0926 300.3261 -161842.8512 -109215.4589 300.0637 37.3374 60.4133 758653.0056 -6.8972 -6.9386 PRESSURE: 4406200 -315.679 104.23 152.031 104.23 -202.364 34.2241 152.031 34.2241 122.337 GPRESSURE: 4406200 -252.658 101.209 226.188 136.627 -274.467 47.3304 141.548 -63.5015 210.821 PRESSAVG: 4406200 -60.4381 -63.4844 -4.37981 -63.4844 51.6573 -18.166 -4.37985 -18.166 18.6339 GPRESSAVG: 4406200 -59.2714 -66.097 -1.77708 -61.0689 50.9338 -19.1569 -3.20578 -17.7002 18.2353 TIMING: 4406200 CPU: 13982.7, 0.00315746/step Wall: 13982.7, 0.00315746/step, 0.520806 hours remaining, 241.320312 MB of memory in use. ENERGY: 4406200 4011.9976 20659.8190 14460.0071 247.3652 -203374.3519 2436.7107 0.0000 0.0000 51986.2529 -109572.1995 298.7657 -161558.4524 -109208.9460 299.3003 -131.9017 -105.4347 759312.1884 3.2844 3.2992 PRESSURE: 4406400 368.884 -103.353 -68.7977 -103.353 294.463 169.517 -68.7984 169.517 -97.8675 GPRESSURE: 4406400 451.845 -31.5677 -40.5609 -16.5444 285.969 122.328 -100.353 84.2344 -95.8036 PRESSAVG: 4406400 -54.4483 29.562 -19.4415 29.562 24.914 49.9804 -19.4416 49.9804 5.53811 GPRESSAVG: 4406400 -54.3558 32.1826 -21.5922 29.9231 25.2454 50.3385 -18.8951 48.1067 5.18942 TIMING: 4406400 CPU: 13983.4, 0.00315536/step Wall: 13983.4, 0.00315536/step, 0.520283 hours remaining, 241.320312 MB of memory in use. ENERGY: 4406400 3903.1870 20384.0105 14501.6954 240.9058 -203978.6638 3010.1916 0.0000 0.0000 52175.8985 -109762.7750 299.8556 -161938.6735 -109399.9057 299.1564 188.4933 214.0034 759240.2947 -7.9987 -7.9737 PRESSURE: 4406600 160.398 15.9817 177.783 15.9829 -166.782 -202.744 177.782 -202.744 -603.037 GPRESSURE: 4406600 97.3463 44.1908 155.854 57.4746 -40.154 -250.728 186.097 -59.7014 -564.061 PRESSAVG: 4406600 -16.8145 -15.2061 19.4982 -15.206 40.9778 -43.7871 19.4983 -43.787 -22.1231 GPRESSAVG: 4406600 -18.7238 -15.1201 20.5969 -16.4767 42.7614 -43.5485 18.0341 -42.1395 -21.9818 TIMING: 4406600 CPU: 13984, 0.00316105/step Wall: 13984, 0.00316105/step, 0.521046 hours remaining, 241.320312 MB of memory in use. ENERGY: 4406600 3991.3261 20414.9739 14441.7355 240.6521 -203397.5977 2661.9649 0.0000 0.0000 52014.6884 -109632.2568 298.9291 -161646.9452 -109279.2479 299.2494 -203.1400 -168.9562 761895.3961 0.6801 0.6853 PRESSURE: 4406800 -5.10099 214.022 32.5812 214.022 177.446 -79.2896 32.581 -79.29 -104.947 GPRESSURE: 4406800 -9.13212 199.885 -6.32565 170.517 228.144 -165.953 114.004 -89.1202 -83.6919 PRESSAVG: 4406800 -69.4983 20.7908 16.6642 20.7908 51.8875 -16.03 16.6643 -16.03 23.0105 GPRESSAVG: 4406800 -68.9751 18.4692 16.0747 21.7771 51.1149 -16.6981 17.9541 -15.5664 23.1864 TIMING: 4406800 CPU: 13984.6, 0.00315103/step Wall: 13984.6, 0.00315103/step, 0.51922 hours remaining, 241.320312 MB of memory in use. ENERGY: 4406800 3942.0828 20523.1929 14386.7422 246.8810 -203141.6056 2342.8613 0.0000 0.0000 52099.0808 -109600.7646 299.4141 -161699.8454 -109248.8216 299.4258 22.4659 45.1066 761786.3377 1.7999 1.7754 PRESSURE: 4407000 61.728 9.58372 -226.784 9.58441 36.162 7.27316 -226.783 7.27306 -29.9648 GPRESSURE: 4407000 94.0278 58.6826 -290.427 -43.6364 22.2108 48.4186 -107.607 14.2494 36.7771 PRESSAVG: 4407000 -43.5024 5.68777 -13.4827 5.68783 38.0816 29.5072 -13.4827 29.5072 -10.2263 GPRESSAVG: 4407000 -44.6639 6.74994 -14.3892 4.92763 38.1517 29.7775 -13.2474 29.6807 -9.24164 TIMING: 4407000 CPU: 13985.3, 0.00316626/step Wall: 13985.3, 0.00316626/step, 0.521554 hours remaining, 241.320312 MB of memory in use. ENERGY: 4407000 4007.1888 20529.5803 14496.0342 249.6989 -203087.5664 2337.3612 0.0000 0.0000 51917.0904 -109550.6126 298.3682 -161467.7031 -109190.6630 299.3012 22.6417 51.0052 760397.7213 -5.2157 -5.2513 PRESSURE: 4407200 230.535 -52.4675 282.494 -52.4676 -41.8396 -154.912 282.493 -154.912 425.476 GPRESSURE: 4407200 258.64 -51.4741 188.484 -60.6782 -14.6141 -122.77 239.806 -51.4136 463.416 PRESSAVG: 4407200 9.11909 -11.2015 33.9729 -11.2015 -22.7107 -20.7016 33.9729 -20.7015 13.5886 GPRESSAVG: 4407200 10.5958 -9.70634 36.0795 -8.86316 -23.4046 -22.256 28.103 -20.235 12.6558 TIMING: 4407200 CPU: 13985.9, 0.00315846/step Wall: 13985.9, 0.00315846/step, 0.520092 hours remaining, 241.320312 MB of memory in use. ENERGY: 4407200 4015.6080 20475.5520 14521.7418 236.8757 -203387.5915 2565.6729 0.0000 0.0000 52203.8821 -109368.2590 300.0164 -161572.1411 -108990.2666 299.7575 204.7237 235.8140 760603.5734 -0.0010 -0.0510 PRESSURE: 4407400 24.845 71.8015 31.5522 71.8009 216.229 92.4173 31.5519 92.4176 273.958 GPRESSURE: 4407400 79.1203 47.4967 43.276 88.9575 273.001 32.5277 117.347 141.637 235.78 PRESSAVG: 4407400 -41.6846 35.1645 10.452 35.1645 55.6824 19.1789 10.452 19.179 0.88842 GPRESSAVG: 4407400 -42.4844 33.439 10.7551 35.3065 56.4808 19.6467 13.2771 17.9743 0.0771976 TIMING: 4407400 CPU: 13986.5, 0.0031447/step Wall: 13986.5, 0.0031447/step, 0.517653 hours remaining, 241.320312 MB of memory in use. ENERGY: 4407400 3952.3407 20501.2775 14410.4788 260.2240 -203578.1198 2515.0318 0.0000 0.0000 52377.8991 -109560.8679 301.0165 -161938.7671 -109192.7143 299.7355 171.6774 195.9671 762153.1795 4.9621 4.6912 PRESSURE: 4407600 -172.344 -241.392 -57.8734 -241.392 21.6873 -59.354 -57.8726 -59.3528 331.661 GPRESSURE: 4407600 -169.334 -267.708 -77.0244 -144.556 90.13 -51.548 -105.102 -210.897 354.52 PRESSAVG: 4407600 -30.3699 -27.5552 11.9128 -27.5552 84.0437 18.2876 11.9128 18.2876 18.7842 GPRESSAVG: 4407600 -30.1448 -27.4853 11.6895 -28.2808 83.3945 18.6892 13.3939 15.4891 18.8655 TIMING: 4407600 CPU: 13987.2, 0.00316584/step Wall: 13987.2, 0.00316583/step, 0.520956 hours remaining, 241.320312 MB of memory in use. ENERGY: 4407600 3970.9247 20627.5084 14495.9877 267.7193 -203564.2209 2744.9195 0.0000 0.0000 51935.6663 -109521.4951 298.4750 -161457.1613 -109165.2749 299.9768 60.3349 91.7721 760279.1210 24.1527 24.0384 PRESSURE: 4407800 -175.473 128.552 64.841 128.552 -112.589 145.606 64.8409 145.605 -306.836 GPRESSURE: 4407800 -170.157 129.751 32.375 76.777 -55.5466 110.051 2.4906 319.299 -289.595 PRESSAVG: 4407800 -40.5202 11.7041 -22.7728 11.7042 46.8327 -22.5904 -22.7727 -22.5904 8.61281 GPRESSAVG: 4407800 -40.3779 12.7644 -23.7541 7.73997 45.5555 -21.7449 -21.8363 -18.4888 9.65876 TIMING: 4407800 CPU: 13987.8, 0.00317146/step Wall: 13987.8, 0.00317146/step, 0.521705 hours remaining, 241.320312 MB of memory in use. ENERGY: 4407800 3969.2903 20525.9131 14492.8201 247.8325 -203527.6862 2523.6293 0.0000 0.0000 52078.3075 -109689.8934 299.2947 -161768.2008 -109324.4621 299.7576 -198.2994 -171.7662 759162.9615 4.9751 4.9454 PRESSURE: 4408000 -226.92 169.893 -23.9395 169.892 -251.176 473.684 -23.939 473.682 -105.953 GPRESSURE: 4408000 -125.726 217.063 3.66163 260.537 -179.688 472.866 26.8953 391.111 -174.792 PRESSAVG: 4408000 -61.5052 27.1222 -14.7132 27.1222 27.6218 44.5583 -14.7132 44.5582 5.59079 GPRESSAVG: 4408000 -61.8148 26.753 -14.0076 29.9211 29.0119 42.2779 -15.9624 44.0028 4.51077 TIMING: 4408000 CPU: 13988.4, 0.0031571/step Wall: 13988.4, 0.0031571/step, 0.519168 hours remaining, 241.320312 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: 4408000 4104.6022 20585.4398 14480.8953 226.1883 -203474.6284 2450.5532 0.0000 0.0000 51831.4265 -109795.5230 297.8759 -161626.9496 -109437.7506 299.4093 -194.6830 -160.0687 759628.8934 -9.4309 -9.4307 PRESSURE: 4408200 -392.148 -41.5083 45.4588 -41.5091 -23.6855 -168.984 45.4584 -168.983 -250.841 GPRESSURE: 4408200 -353.188 -29.7625 124.14 -15.9207 -18.193 -32.0066 -38.8701 -222.959 -199.612 PRESSAVG: 4408200 -18.0118 0.0769721 -13.2406 0.0769843 14.959 8.1614 -13.2406 8.16141 3.76356 GPRESSAVG: 4408200 -18.862 -0.951414 -14.8988 1.27641 15.706 9.414 -11.4953 7.57249 4.42752 TIMING: 4408200 CPU: 13989.1, 0.00317032/step Wall: 13989.1, 0.00317032/step, 0.521166 hours remaining, 241.320312 MB of memory in use. ENERGY: 4408200 3989.9260 20511.4893 14392.4494 227.9540 -203595.7608 2412.0220 0.0000 0.0000 52228.5518 -109833.3682 300.1582 -162061.9200 -109462.2302 299.3739 -222.2249 -190.3310 759634.9055 0.2369 0.4238 LDB: ============= START OF LOAD BALANCING ============== 14001.5 LDB: ============== END OF LOAD BALANCING =============== 14001.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14001.5 LDB: ============= START OF LOAD BALANCING ============== 14001.8 LDB: Largest compute 7055 load 0.034819 is 17.8% of average load 0.195469 LDB: Average compute 0.004386 is 2.2% of average load 0.195469 LDB: TIME 14001.8 LOAD: AVG 0.195469 MAX 0.215454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.629 MB LDB: TIME 14001.8 LOAD: AVG 0.195469 MAX 0.215454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.629 MB LDB: TIME 14001.8 LOAD: AVG 0.195469 MAX 0.215454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.629 MB LDB: ============== END OF LOAD BALANCING =============== 14001.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14001.9 PRESSURE: 4408400 129.591 -136.681 -14.037 -136.681 203.193 116.744 -14.0364 116.744 288.528 GPRESSURE: 4408400 206.412 -27.5257 13.3172 -20.8533 144.822 161.942 -0.0907115 170.371 347.861 PRESSAVG: 4408400 -15.9203 20.9131 -12.6604 20.9131 33.0402 -14.3634 -12.6605 -14.3634 12.2864 GPRESSAVG: 4408400 -14.4403 21.4289 -11.8915 19.9315 31.9608 -13.831 -14.8639 -13.7671 12.3832 TIMING: 4408400 CPU: 13989.7, 0.00323242/step Wall: 13989.7, 0.00323242/step, 0.531194 hours remaining, 240.039062 MB of memory in use. ENERGY: 4408400 3926.4433 20646.3324 14366.7349 250.7990 -203818.1174 2716.9560 0.0000 0.0000 52023.5972 -109887.2545 298.9803 -161910.8517 -109522.1514 299.2194 207.1041 233.0317 758511.8631 9.8021 9.9679 PRESSURE: 4408600 -278.071 162.215 50.0715 162.215 -196.343 -60.0934 50.0716 -60.0934 -440.213 GPRESSURE: 4408600 -277.337 196.001 66.965 139.468 -174.55 -39.866 101.65 -72.6799 -374.236 PRESSAVG: 4408600 -35.7422 1.04892 -11.7333 1.04901 62.6889 36.802 -11.7333 36.8021 4.23806 GPRESSAVG: 4408600 -35.9636 2.50434 -10.5749 0.214309 63.7748 36.4735 -8.37301 35.1052 3.26915 TIMING: 4408600 CPU: 13990.3, 0.00314431/step Wall: 13990.3, 0.00314431/step, 0.51654 hours remaining, 240.242188 MB of memory in use. ENERGY: 4408600 4014.6945 20421.1177 14380.5712 266.2232 -203032.6954 2022.2333 0.0000 0.0000 52112.0628 -109815.7927 299.4887 -161927.8555 -109441.9479 299.5038 -304.8757 -275.3745 759924.9412 10.3949 10.3601 PRESSURE: 4408800 222.283 -58.4824 163.524 -58.4817 -245.781 114.233 163.524 114.233 -204.498 GPRESSURE: 4408800 145.207 64.2888 58.9678 -100.088 -161.961 92.775 141.756 124.468 -119.576 PRESSAVG: 4408800 10.7522 -11.694 -12.6361 -11.694 -43.9744 11.9075 -12.6361 11.9075 -11.7172 GPRESSAVG: 4408800 9.4793 -13.512 -14.7313 -11.2004 -43.3946 11.9047 -12.9082 13.738 -11.0622 TIMING: 4408800 CPU: 13991, 0.00314505/step Wall: 13991, 0.00314505/step, 0.516487 hours remaining, 240.242188 MB of memory in use. ENERGY: 4408800 4068.3636 20571.7020 14474.1640 242.7319 -203735.7371 2591.9768 0.0000 0.0000 52104.2284 -109682.5704 299.4437 -161786.7988 -109325.9670 299.6090 -75.9987 -45.4431 758602.8938 -14.9798 -14.9925 PRESSURE: 4409000 57.8945 -222.123 -190.908 -222.124 -20.2358 91.9652 -190.908 91.9644 38.9872 GPRESSURE: 4409000 135.117 -212.701 -158.484 -143.063 -12.7864 126.619 -180.03 -4.27155 22.7229 PRESSAVG: 4409000 6.40244 4.12154 24.9649 4.12161 -10.684 96.6444 24.9649 96.6444 -7.41371 GPRESSAVG: 4409000 7.09207 4.00675 23.8285 4.69778 -11.8509 96.2747 25.2219 96.5986 -7.35041 TIMING: 4409000 CPU: 13991.6, 0.00315457/step Wall: 13991.6, 0.00315457/step, 0.517875 hours remaining, 240.242188 MB of memory in use. ENERGY: 4409000 3866.5089 20596.6918 14488.5189 236.3311 -203384.7433 2501.8895 0.0000 0.0000 52129.1071 -109565.6960 299.5867 -161694.8031 -109203.2117 299.3918 25.5487 48.3511 760202.3033 -3.8984 -4.0364 PRESSURE: 4409200 170.12 -72.1501 109.507 -72.15 60.7727 84.4698 109.507 84.4701 135.267 GPRESSURE: 4409200 147.156 -57.4795 7.29934 -103.998 188.785 46.8154 -26.9717 127.745 137.059 PRESSAVG: 4409200 26.6186 -2.71865 -13.0389 -2.71863 -17.668 15.6144 -13.0389 15.6143 -10.8877 GPRESSAVG: 4409200 26.2471 -1.21478 -10.475 -3.662 -16.96 16.0786 -13.9195 14.6421 -10.9283 TIMING: 4409200 CPU: 13992.2, 0.00316262/step Wall: 13992.2, 0.00316262/step, 0.51902 hours remaining, 240.242188 MB of memory in use. ENERGY: 4409200 3955.3075 20546.3889 14386.6493 249.9073 -203872.4922 2732.8678 0.0000 0.0000 52356.0555 -109645.3159 300.8910 -162001.3714 -109282.5206 299.3986 122.0531 157.6668 759296.7158 -0.6457 -0.5471 PRESSURE: 4409400 -322.643 100.747 -142.968 100.746 -68.6781 -143.725 -142.967 -143.724 -103.413 GPRESSURE: 4409400 -241.797 -26.13 -188.714 50.8487 -28.3293 -115.172 -228.238 -118.169 -135.679 PRESSAVG: 4409400 0.555984 -46.535 -55.8108 -46.5349 26.905 41.5043 -55.8107 41.5043 -4.0594 GPRESSAVG: 4409400 1.84293 -48.9414 -56.1814 -46.2699 27.3022 40.5252 -56.1437 43.8462 -5.45229 TIMING: 4409400 CPU: 13992.9, 0.003167/step Wall: 13992.9, 0.003167/step, 0.519564 hours remaining, 240.242188 MB of memory in use. ENERGY: 4409400 4068.6959 20430.6629 14508.9568 244.6676 -203432.7559 2632.0313 0.0000 0.0000 51971.4883 -109576.2531 298.6809 -161547.7414 -109203.0659 299.3902 -164.9113 -135.2682 761963.4965 7.8005 7.8976 PRESSURE: 4409600 -78.2225 -247.408 52.7596 -247.409 -363.227 87.6629 52.7593 87.6617 -143.981 GPRESSURE: 4409600 -158.347 -128.001 34.9277 -113.944 -259.832 31.4003 153.484 157.484 -61.4012 PRESSAVG: 4409600 25.7072 -11.167 -16.9665 -11.1671 -2.74932 15.4221 -16.9665 15.422 -16.5831 GPRESSAVG: 4409600 24.9756 -9.749 -14.8928 -10.1237 -2.28542 16.73 -16.288 13.3278 -16.2918 TIMING: 4409600 CPU: 13993.5, 0.00314703/step Wall: 13993.5, 0.00314703/step, 0.516113 hours remaining, 240.242188 MB of memory in use. ENERGY: 4409600 3923.8232 20644.8718 14428.2362 244.5792 -203429.3246 2535.0260 0.0000 0.0000 52283.2002 -109369.5880 300.4723 -161652.7882 -109015.6137 299.4709 -195.1433 -159.8598 760718.2060 2.1249 2.1328 PRESSURE: 4409800 102.977 -43.7642 28.9462 -43.7645 -94.3996 86.0619 28.9451 86.0617 50.6912 GPRESSURE: 4409800 148.207 -101.735 -36.7131 -77.5624 -81.1182 89.9215 189.13 -13.8393 50.9918 PRESSAVG: 4409800 37.1443 -40.0982 -23.8124 -40.0981 13.4565 1.48277 -23.8125 1.48282 -20.5501 GPRESSAVG: 4409800 38.0475 -41.42 -26.0116 -40.678 12.414 0.997379 -23.6993 2.91652 -20.0522 TIMING: 4409800 CPU: 13994.1, 0.003152/step Wall: 13994.1, 0.003152/step, 0.516753 hours remaining, 240.242188 MB of memory in use. ENERGY: 4409800 3929.3608 20523.1028 14540.5206 262.5208 -203059.7568 2260.1565 0.0000 0.0000 52031.7173 -109512.3780 299.0270 -161544.0953 -109149.3129 300.0599 19.7561 39.3604 760371.7253 10.0169 10.1364 PRESSURE: 4410000 -212.976 -61.4908 177.672 -61.4901 -67.8912 45.1441 177.672 45.1433 317.533 GPRESSURE: 4410000 -97.8321 16.1731 143.561 -101.212 -104.974 132.409 217.848 16.6195 302.844 PRESSAVG: 4410000 -34.3838 -15.511 0.124374 -15.5109 17.1606 -3.02748 0.124383 -3.02753 13.6096 GPRESSAVG: 4410000 -33.7788 -14.8392 0.347388 -14.604 16.6706 -2.53023 -2.17448 -3.20444 13.3259 TIMING: 4410000 CPU: 13994.8, 0.00314334/step Wall: 13994.8, 0.00314334/step, 0.515158 hours remaining, 240.242188 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: 4410000 3948.6854 20377.8069 14555.4861 245.0233 -203472.8243 2609.1657 0.0000 0.0000 52248.5666 -109488.0903 300.2732 -161736.6569 -109111.7044 299.1306 12.2220 33.3460 761979.8538 -1.2046 -1.2607 PRESSURE: 4410200 -188.86 -2.94114 -205.007 -2.9419 38.323 214.204 -205.006 214.204 410.121 GPRESSURE: 4410200 -121.133 -47.7409 -157.864 -38.558 23.2465 205.164 -129.192 277.485 454.828 PRESSAVG: 4410200 -2.43145 -1.86928 2.84134 -1.86927 -69.4626 27.2307 2.84135 27.2307 0.116093 GPRESSAVG: 4410200 -2.58262 -2.57757 2.05961 -4.72109 -68.5139 25.6902 5.26938 27.2823 -0.48302 TIMING: 4410200 CPU: 13995.4, 0.00314049/step Wall: 13995.4, 0.00314049/step, 0.514517 hours remaining, 240.242188 MB of memory in use. ENERGY: 4410200 3964.5069 20595.3611 14505.3631 237.4944 -203290.7816 2609.5757 0.0000 0.0000 52056.4052 -109322.0752 299.1689 -161378.4803 -108963.7437 299.7769 86.5278 118.9804 759478.6062 -23.9260 -23.8598 PRESSURE: 4410400 42.517 -139.316 214.601 -139.316 19.417 92.942 214.602 92.9418 24.9722 GPRESSURE: 4410400 123.931 -103.049 161.832 -12.0926 100.644 107.228 242.024 53.7431 -57.8207 PRESSAVG: 4410400 19.8096 -42.9949 62.5007 -42.9949 -14.469 24.1492 62.5008 24.1491 -3.71551 GPRESSAVG: 4410400 18.6898 -43.4334 63.2362 -40.9138 -14.1464 24.4493 59.4848 23.2811 -2.97861 TIMING: 4410400 CPU: 13996, 0.00313686/step Wall: 13996, 0.00313686/step, 0.513748 hours remaining, 240.242188 MB of memory in use. ENERGY: 4410400 3949.7762 20487.4231 14539.2459 243.7243 -203484.4223 2688.4886 0.0000 0.0000 52504.8331 -109070.9312 301.7460 -161575.7643 -108700.6771 300.1964 28.9687 55.5848 761124.8933 0.5417 0.5216 PRESSURE: 4410600 -1.353 -176.357 -12.9243 -176.356 -154.195 -100.44 -12.9247 -100.44 183.505 GPRESSURE: 4410600 39.8484 -107.226 -28.5643 -173.616 -161.031 -129.593 2.12762 -79.2729 258.085 PRESSAVG: 4410600 13.0379 -12.5881 3.0591 -12.5881 -22.4317 -40.5094 3.05915 -40.5094 -11.2563 GPRESSAVG: 4410600 12.1307 -11.1711 2.14163 -12.7925 -22.0882 -39.6742 4.3611 -41.506 -10.6741 TIMING: 4410600 CPU: 13996.6, 0.00312378/step Wall: 13996.6, 0.00312378/step, 0.511432 hours remaining, 240.242188 MB of memory in use. ENERGY: 4410600 3960.5419 20564.3563 14543.3706 247.9998 -203386.1994 2540.7046 0.0000 0.0000 52361.8751 -109167.3511 300.9244 -161529.2261 -108800.2536 301.1562 9.3191 45.6343 761327.0839 -6.8833 -6.8772 PRESSURE: 4410800 -15.1977 -63.5312 -60.644 -63.5306 168.055 -1.43373 -60.6444 -1.43389 510.168 GPRESSURE: 4410800 66.0418 -51.7262 -132.517 -33.391 145.83 13.9317 -16.1568 -84.8926 524.435 PRESSAVG: 4410800 39.8937 -14.0796 52.9191 -14.0795 -52.5984 10.3588 52.9191 10.3588 5.39024 GPRESSAVG: 4410800 41.9535 -15.4742 55.1347 -13.4046 -53.7996 9.80686 53.366 12.4741 4.79041 TIMING: 4410800 CPU: 13997.3, 0.00313076/step Wall: 13997.3, 0.00313076/step, 0.512402 hours remaining, 240.242188 MB of memory in use. ENERGY: 4410800 3984.7428 20533.5559 14529.3877 242.0935 -203280.7862 2445.4823 0.0000 0.0000 52283.8607 -109261.6634 300.4761 -161545.5241 -108897.0825 300.5712 221.0082 245.4355 761792.2574 -2.4381 -2.3519 PRESSURE: 4411000 166.566 -164.073 87.832 -164.073 -203.727 -119.332 87.8319 -119.332 -243.087 GPRESSURE: 4411000 159.639 -46.6813 44.0948 -144.955 -159.282 -85.2936 144.907 -226.682 -197.285 PRESSAVG: 4411000 31.9354 -10.9671 -18.0151 -10.9671 15.5477 -60.1084 -18.0152 -60.1085 19.5591 GPRESSAVG: 4411000 31.3323 -10.1378 -20.2074 -13.5824 16.7784 -58.3688 -18.0969 -61.9768 18.9369 TIMING: 4411000 CPU: 13997.9, 0.00313828/step Wall: 13997.9, 0.00313828/step, 0.513457 hours remaining, 240.242188 MB of memory in use. ENERGY: 4411000 3993.8814 20605.0012 14458.4641 240.9776 -202960.9111 2293.9918 0.0000 0.0000 51965.2973 -109403.2977 298.6453 -161368.5950 -109040.4212 299.7910 -93.4160 -65.6426 761150.1125 22.3474 22.3492 PRESSURE: 4411200 39.6469 2.08046 -162.494 2.07952 -22.5782 107.575 -162.493 107.574 93.9456 GPRESSURE: 4411200 62.8767 -18.7059 -68.3778 45.9113 4.66059 80.4543 -86.6027 16.8084 109.837 PRESSAVG: 4411200 22.1877 -24.8099 2.60423 -24.8099 -65.4728 16.5116 2.60426 16.5116 -10.3335 GPRESSAVG: 4411200 22.4761 -26.0181 4.05252 -21.7522 -65.7702 16.0513 2.5927 16.0396 -10.5324 TIMING: 4411200 CPU: 13998.5, 0.00315128/step Wall: 13998.5, 0.00315128/step, 0.51541 hours remaining, 240.242188 MB of memory in use. ENERGY: 4411200 3959.8495 20559.7961 14416.3893 251.6144 -203615.4849 2532.8905 0.0000 0.0000 52269.2057 -109625.7395 300.3918 -161894.9452 -109255.4721 299.7155 37.0048 59.1246 760412.7478 -17.8729 -17.9421 PRESSURE: 4411400 -314.478 149.598 172.565 149.599 -196.302 -12.4593 172.565 -12.4593 82.6394 GPRESSURE: 4411400 -289.121 95.4486 216.178 61.4116 -150.812 -61.1405 41.5314 -18.0345 105.141 PRESSAVG: 4411400 -43.175 -22.3225 -5.83877 -22.3224 2.91324 14.6992 -5.83879 14.6992 25.483 GPRESSAVG: 4411400 -43.3518 -22.3347 -5.38204 -21.922 3.66791 12.0185 -6.69136 17.6392 25.2487 TIMING: 4411400 CPU: 13999.2, 0.0031437/step Wall: 13999.2, 0.0031437/step, 0.513996 hours remaining, 240.242188 MB of memory in use. ENERGY: 4411400 4000.3848 20580.0990 14515.7118 251.3895 -203254.2235 2466.8285 0.0000 0.0000 51889.0284 -109550.7815 298.2070 -161439.8099 -109183.8340 298.7513 -142.7134 -111.5972 762817.7180 -4.9262 -4.8118 PRESSURE: 4411600 308.596 189.271 89.2304 189.272 60.019 45.4745 89.2287 45.4742 79.6071 GPRESSURE: 4411600 322.296 169.224 -9.6937 379.406 147.399 11.8063 30.4903 171.722 79.207 PRESSAVG: 4411600 39.4983 -12.6605 21.8766 -12.6605 -6.7896 -22.4572 21.8766 -22.457 11.3211 GPRESSAVG: 4411600 39.4059 -12.8627 22.2497 -14.8759 -6.97162 -20.472 23.1112 -24.4974 11.5578 TIMING: 4411600 CPU: 13999.8, 0.00315512/step Wall: 13999.8, 0.00315512/step, 0.515687 hours remaining, 240.242188 MB of memory in use. ENERGY: 4411600 4005.9873 20583.5790 14478.3319 244.6524 -203883.9407 2783.9854 0.0000 0.0000 52329.1888 -109458.2159 300.7366 -161787.4047 -109096.8814 298.7947 149.4073 182.9674 759551.2213 14.6766 14.6640 PRESSURE: 4411800 -76.7272 -59.5725 -243.159 -59.5725 -87.0303 114.771 -243.159 114.771 256.546 GPRESSURE: 4411800 53.7203 -31.9009 -240.768 -24.4917 -123.547 171.357 -210.638 69.4735 232.203 PRESSAVG: 4411800 -32.0169 -19.1195 15.885 -19.1195 57.8606 6.51473 15.885 6.51471 5.30033 GPRESSAVG: 4411800 -31.3921 -18.5954 15.5346 -19.4536 57.257 7.46452 13.4238 6.21301 5.43599 TIMING: 4411800 CPU: 14000.4, 0.00317264/step Wall: 14000.4, 0.00317264/step, 0.518374 hours remaining, 240.242188 MB of memory in use. ENERGY: 4411800 3956.5577 20481.6929 14402.4021 264.0466 -203638.3336 2632.4477 0.0000 0.0000 52368.5392 -109532.6474 300.9627 -161901.1866 -109156.4951 299.9386 30.9293 54.1254 761293.8012 10.3813 10.4336 PRESSURE: 4412000 -69.271 30.0799 91.9111 30.0799 247.24 105.435 91.9109 105.435 -255.084 GPRESSURE: 4412000 7.94892 114.589 46.9882 162.782 180.152 69.5619 117.145 158.432 -176.892 PRESSAVG: 4412000 -0.621534 -61.3228 6.47103 -61.3228 -41.3928 -0.733004 6.47109 -0.732974 -13.9805 GPRESSAVG: 4412000 -0.520372 -59.6861 5.14694 -60.3857 -41.2071 -2.08046 7.38655 -1.97716 -13.9247 TIMING: 4412000 CPU: 14001, 0.00312576/step Wall: 14001, 0.00312576/step, 0.510541 hours remaining, 240.242188 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: 4412000 3997.4070 20478.8422 14488.3966 253.6113 -203530.7250 2582.7782 0.0000 0.0000 52314.4970 -109415.1926 300.6521 -161729.6896 -109057.5285 299.7934 -25.7052 3.7362 761136.2748 -18.6649 -18.5508 PRESSURE: 4412200 -409.055 165.49 281.33 165.49 -131.379 -207.227 281.329 -207.228 -76.5615 GPRESSURE: 4412200 -446.151 189.014 228.083 87.9426 4.64544 -270.742 119.318 -217.539 -90.4093 PRESSAVG: 4412200 56.1529 -4.09479 8.70628 -4.09479 -27.2956 -47.1288 8.70624 -47.1288 7.11066 GPRESSAVG: 4412200 56.029 -6.4712 9.20053 -1.49607 -26.1934 -46.2905 8.23772 -47.1614 5.48363 TIMING: 4412200 CPU: 14001.7, 0.0031464/step Wall: 14001.7, 0.0031464/step, 0.513737 hours remaining, 240.242188 MB of memory in use. ENERGY: 4412200 4018.7043 20540.8771 14460.2859 257.0034 -203573.2609 2596.2039 0.0000 0.0000 52137.9158 -109562.2705 299.6373 -161700.1863 -109192.7608 299.9659 -205.6651 -177.3048 760361.2551 11.9893 11.7731 LDB: ============= START OF LOAD BALANCING ============== 14014.1 LDB: ============== END OF LOAD BALANCING =============== 14014.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14014.1 LDB: ============= START OF LOAD BALANCING ============== 14014.4 LDB: Largest compute 7055 load 0.035132 is 18.0% of average load 0.195390 LDB: Average compute 0.004371 is 2.2% of average load 0.195390 LDB: TIME 14014.4 LOAD: AVG 0.19539 MAX 0.216504 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 14014.4 LOAD: AVG 0.19539 MAX 0.216504 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 14014.4 LOAD: AVG 0.19539 MAX 0.216504 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 14014.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14014.5 PRESSURE: 4412400 30.3364 2.63566 -112.778 2.63618 211.875 68.6997 -112.779 68.701 313.14 GPRESSURE: 4412400 53.1924 16.088 -90.1805 -20.7679 230.785 160.691 -52.4925 76.3944 338.128 PRESSAVG: 4412400 -16.9237 -6.34707 8.67634 -6.34709 -13.033 36.2034 8.67634 36.2034 3.17735 GPRESSAVG: 4412400 -16.8227 -7.30892 9.81537 -8.70982 -14.6612 36.8919 8.118 39.0857 5.03284 TIMING: 4412400 CPU: 14002.3, 0.00323379/step Wall: 14002.3, 0.00323379/step, 0.527827 hours remaining, 241.320312 MB of memory in use. ENERGY: 4412400 3923.8606 20651.5679 14435.4724 264.3895 -203330.2446 2524.5353 0.0000 0.0000 51943.9285 -109586.4904 298.5225 -161530.4189 -109216.1542 299.7615 185.1171 207.3684 761001.7810 -8.9265 -8.8170 PRESSURE: 4412600 -34.3084 208.508 -39.1642 208.507 22.2705 -64.0493 -39.1636 -64.0484 664.322 GPRESSURE: 4412600 123.974 195.33 -4.53425 119.048 25.8114 51.7045 30.2932 -8.40819 593.508 PRESSAVG: 4412600 -52.3283 -43.4737 34.8957 -43.4737 -34.3606 32.2455 34.8956 32.2455 7.21649 GPRESSAVG: 4412600 -51.5517 -42.0012 33.6312 -44.0201 -34.4019 33.0603 37.7134 29.4651 6.3886 TIMING: 4412600 CPU: 14003, 0.00316521/step Wall: 14003, 0.00316521/step, 0.516457 hours remaining, 241.523438 MB of memory in use. ENERGY: 4412600 3912.2475 20415.8811 14439.5314 270.5177 -203543.9816 2646.1790 0.0000 0.0000 52302.9985 -109556.6265 300.5861 -161859.6250 -109197.8228 299.4405 217.4280 247.7644 761001.4035 -26.4908 -26.5217 PRESSURE: 4412800 -346.048 -96.0326 22.6443 -96.0323 226.292 227.404 22.6439 227.403 -4.63779 GPRESSURE: 4412800 -227.188 -36.2406 124.295 -45.0035 204.223 202.071 153.352 184.308 2.54622 PRESSAVG: 4412800 5.14837 6.34215 20.5411 6.34212 9.55542 4.8297 20.5411 4.82971 5.855 GPRESSAVG: 4412800 5.18212 7.37863 22.6928 8.1753 10.8009 3.01972 18.9961 5.16077 5.14019 TIMING: 4412800 CPU: 14003.6, 0.00313983/step Wall: 14003.6, 0.00313983/step, 0.512142 hours remaining, 241.523438 MB of memory in use. ENERGY: 4412800 3985.0723 20502.2997 14478.6044 257.5365 -203696.2976 2711.8704 0.0000 0.0000 52277.0758 -109483.8386 300.4371 -161760.9144 -109119.3347 299.3754 -41.4647 -6.8061 759010.1020 6.8529 7.0411 PRESSURE: 4413000 77.0505 206.283 -19.3309 206.283 -202.69 22.9188 -19.3301 22.9194 396.464 GPRESSURE: 4413000 75.7823 199.968 -8.25713 157.201 -67.9894 87.6812 -75.4382 124 347.677 PRESSAVG: 4413000 21.2375 -23.9205 -19.5429 -23.9205 -12.9084 40.3736 -19.5429 40.3737 23.8943 GPRESSAVG: 4413000 21.7523 -22.8545 -20.3662 -27.2947 -14.2384 40.6139 -19.6043 40.0549 24.3495 TIMING: 4413000 CPU: 14004.2, 0.0031382/step Wall: 14004.2, 0.0031382/step, 0.5117 hours remaining, 241.523438 MB of memory in use. ENERGY: 4413000 4082.2400 20507.4023 14515.9888 243.2027 -203351.3407 2397.7126 0.0000 0.0000 52011.6872 -109593.1071 298.9119 -161604.7943 -109232.9128 299.1911 90.2747 118.4900 759437.5036 10.7411 10.6211 PRESSURE: 4413200 -75.9982 -73.1545 -192.291 -73.1535 0.963581 -166.756 -192.291 -166.757 -235.793 GPRESSURE: 4413200 7.33497 -188.834 -166.553 -121.286 32.2186 -110.384 -223.038 -93.8846 -266.47 PRESSAVG: 4413200 33.0649 -13.9066 -26.4302 -13.9065 -32.5772 56.4907 -26.4302 56.4907 -3.79955 GPRESSAVG: 4413200 32.5636 -16.0869 -27.7992 -10.8212 -31.1018 56.205 -26.9551 59.2645 -4.41507 TIMING: 4413200 CPU: 14004.8, 0.00314836/step Wall: 14004.8, 0.00314836/step, 0.513183 hours remaining, 241.523438 MB of memory in use. ENERGY: 4413200 3954.9555 20550.0450 14365.7130 267.0315 -203226.2969 2411.7592 0.0000 0.0000 51882.9895 -109793.8034 298.1723 -161676.7929 -109415.1384 298.8821 -103.6091 -75.6389 759795.9680 -1.1040 -0.9844 PRESSURE: 4413400 339.002 66.3486 108.129 66.3484 -112.099 5.60978 108.129 5.61141 -70.1946 GPRESSURE: 4413400 370.965 77.725 -43.436 127.117 -18.6972 27.9344 -17.0489 78.8903 -105.648 PRESSAVG: 4413400 13.1997 -17.773 -33.6508 -17.773 -23.7559 30.5146 -33.6507 30.5146 3.75763 GPRESSAVG: 4413400 13.4662 -16.482 -33.1683 -17.9561 -25.8497 31.6549 -31.5685 29.6281 5.25154 TIMING: 4413400 CPU: 14005.5, 0.0031481/step Wall: 14005.5, 0.0031481/step, 0.512965 hours remaining, 241.523438 MB of memory in use. ENERGY: 4413400 4094.1644 20434.9925 14415.2988 219.9293 -203574.5456 2513.1800 0.0000 0.0000 52271.2766 -109625.7040 300.4037 -161896.9806 -109259.7794 299.2118 52.2361 82.2066 758840.1028 -2.2662 -2.3773 PRESSURE: 4413600 -71.3521 62.6041 77.5133 62.6048 203.53 -15.5456 77.5131 -15.5463 -246.215 GPRESSURE: 4413600 -106.226 -14.888 156.188 43.3196 243.65 -53.5467 46.7038 38.1728 -187.169 PRESSAVG: 4413600 19.2681 27.898 10.9969 27.8981 11.1166 -3.69926 10.9969 -3.69927 24.1059 GPRESSAVG: 4413600 18.3744 28.8805 11.628 25.9356 13.4651 -6.30832 8.82435 -4.82311 22.8485 TIMING: 4413600 CPU: 14006.1, 0.00314149/step Wall: 14006.1, 0.00314149/step, 0.511714 hours remaining, 241.523438 MB of memory in use. ENERGY: 4413600 4009.1196 20667.8414 14391.1413 258.0246 -203808.8345 2786.0514 0.0000 0.0000 52095.5826 -109601.0737 299.3940 -161696.6562 -109252.0802 299.7355 -38.0124 -16.5814 761111.8157 18.1636 18.2293 PRESSURE: 4413800 -90.19 -65.2458 102.442 -65.246 -57.0209 -69.7479 102.442 -69.7486 220.051 GPRESSURE: 4413800 -60.4085 -31.115 98.5292 26.7838 -15.8784 10.367 32.9624 41.3587 254.436 PRESSAVG: 4413800 51.5112 14.3836 -35.7565 14.3836 -35.4852 -8.95369 -35.7565 -8.95369 20.2592 GPRESSAVG: 4413800 52.1414 13.6383 -37.9178 17.4031 -36.2382 -8.04337 -33.8111 -7.82444 20.6926 TIMING: 4413800 CPU: 14006.7, 0.00315455/step Wall: 14006.7, 0.00315455/step, 0.513666 hours remaining, 241.523438 MB of memory in use. ENERGY: 4413800 3961.0830 20391.4791 14455.4591 262.2888 -203971.6410 2797.7242 0.0000 0.0000 52407.8709 -109695.7358 301.1888 -162103.6068 -109330.3489 299.5800 24.2802 59.3830 759063.2964 12.0951 12.1986 PRESSURE: 4414000 -275.247 75.3692 47.1398 75.3696 60.888 74.2593 47.1405 74.2584 -78.8488 GPRESSURE: 4414000 -205.368 -5.07832 110.613 63.3785 175.026 83.5855 -53.654 56.1428 -167.649 PRESSAVG: 4414000 -17.6781 -24.9967 13.9619 -24.9967 -6.35108 -8.30519 13.9619 -8.30515 23.4623 GPRESSAVG: 4414000 -17.6084 -26.0506 15.7405 -26.8841 -5.61188 -7.29076 12.5523 -10.3884 22.9668 TIMING: 4414000 CPU: 14007.4, 0.00313305/step Wall: 14007.4, 0.00313305/step, 0.509991 hours remaining, 241.523438 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: 4414000 3906.1620 20389.0602 14421.3321 264.0934 -203194.5588 2329.5017 0.0000 0.0000 52093.3682 -109791.0412 299.3813 -161884.4094 -109415.3733 299.1673 -97.7360 -65.9968 759634.4474 -0.1890 -0.0845 PRESSURE: 4414200 -146.613 73.5269 -185.796 73.5264 -95.2348 -145.577 -185.796 -145.577 51.5729 GPRESSURE: 4414200 -51.702 -18.4922 -175.204 157.286 -126.137 -80.538 -132.544 -128.933 75.4739 PRESSAVG: 4414200 -28.9474 13.6669 0.735415 13.6669 24.8241 10.0984 0.735337 10.0984 -11.3397 GPRESSAVG: 4414200 -28.525 13.5977 -0.713093 15.2154 23.2709 9.25044 2.78449 13.2463 -10.3517 TIMING: 4414200 CPU: 14008, 0.00313429/step Wall: 14008, 0.00313429/step, 0.510019 hours remaining, 241.523438 MB of memory in use. ENERGY: 4414200 4002.8275 20394.6394 14459.0926 247.5186 -203234.9558 2318.3275 0.0000 0.0000 52284.5506 -109527.9996 300.4800 -161812.5502 -109161.3863 299.2632 -63.4248 -34.1216 759867.4027 -5.1543 -5.2019 PRESSURE: 4414400 301.929 -30.58 97.1654 -30.5798 310.855 110.223 97.1655 110.222 131.574 GPRESSURE: 4414400 248.47 -10.1876 178.834 11.0704 402.514 28.8839 104.932 73.8053 162.163 PRESSAVG: 4414400 -21.8734 -6.8183 -12.3161 -6.81827 61.6368 30.0736 -12.3161 30.0736 4.014 GPRESSAVG: 4414400 -22.5495 -6.02743 -11.8611 -7.5006 61.7251 30.0605 -14.4294 28.1998 4.74538 TIMING: 4414400 CPU: 14008.6, 0.00312713/step Wall: 14008.6, 0.00312713/step, 0.508679 hours remaining, 241.523438 MB of memory in use. ENERGY: 4414400 4005.1175 20364.7161 14396.3097 247.6376 -203441.2106 2529.7331 0.0000 0.0000 52156.9290 -109740.7676 299.7466 -161897.6966 -109379.2404 299.1507 248.1195 271.0490 758811.7518 14.5925 14.6403 PRESSURE: 4414600 237.832 -0.139632 73.0014 -0.13954 58.5724 55.0001 73.0015 54.9999 -17.7018 GPRESSURE: 4414600 259.43 78.8872 35.9896 114.412 102.737 -15.7157 58.9114 101.185 -7.69489 PRESSAVG: 4414600 -9.23475 84.378 -15.8004 84.3781 9.9771 -16.5907 -15.8004 -16.5907 4.34729 GPRESSAVG: 4414600 -10.0642 85.595 -14.1256 82.1355 11.3272 -16.84 -16.9028 -15.923 3.0477 TIMING: 4414600 CPU: 14009.2, 0.00313547/step Wall: 14009.2, 0.00313547/step, 0.509862 hours remaining, 241.523438 MB of memory in use. ENERGY: 4414600 4012.2304 20259.3027 14451.4398 236.9067 -203915.0238 2976.7313 0.0000 0.0000 52209.9335 -109768.4794 300.0512 -161978.4129 -109407.8916 298.6062 92.9007 118.1575 759379.7330 1.6965 1.4369 PRESSURE: 4414800 -152.329 -76.1926 -129.923 -76.1924 40.9433 6.75639 -129.923 6.75608 -88.0925 GPRESSURE: 4414800 -88.3681 -150.295 -72.5199 -46.4652 117.388 -34.7338 -131.302 25.5531 -161.442 PRESSAVG: 4414800 -14.8849 -29.3665 -18.6321 -29.3665 44.3211 -50.3283 -18.6322 -50.3283 14.7596 GPRESSAVG: 4414800 -14.3563 -30.6254 -19.6409 -25.9343 44.2056 -50.6013 -19.2569 -50.1788 15.0496 TIMING: 4414800 CPU: 14009.9, 0.00313256/step Wall: 14009.9, 0.00313256/step, 0.509216 hours remaining, 241.523438 MB of memory in use. ENERGY: 4414800 4026.5951 20407.6919 14515.0175 258.7919 -203419.0771 2447.1522 0.0000 0.0000 52182.7277 -109581.1008 299.8949 -161763.8286 -109217.3113 298.7566 -66.4927 -44.1408 759630.6482 14.7320 14.9663 PRESSURE: 4415000 -239.433 -115.819 -98.6533 -115.819 -24.5908 147.723 -98.6544 147.723 -120.298 GPRESSURE: 4415000 -144.545 -111.808 -70.8192 -54.851 -16.5655 75.8107 40.8624 146.536 -131.791 PRESSAVG: 4415000 5.83302 -4.67784 -57.3043 -4.67787 -26.2362 -19.0652 -57.3043 -19.0652 8.03982 GPRESSAVG: 4415000 6.41728 -5.16985 -57.7959 -5.97786 -26.0931 -20.4031 -55.6925 -16.9348 7.56609 TIMING: 4415000 CPU: 14010.5, 0.00312577/step Wall: 14010.5, 0.00312577/step, 0.507937 hours remaining, 241.523438 MB of memory in use. ENERGY: 4415000 3937.5099 20424.4922 14515.1716 249.5743 -203108.0663 2397.7940 0.0000 0.0000 51987.9828 -109595.5414 298.7757 -161583.5243 -109234.7087 299.2424 -128.1071 -97.6340 761679.4560 -4.1211 -4.0366 PRESSURE: 4415200 -166.377 -181.521 91.4904 -181.521 -503.652 30.4541 91.4904 30.4538 512.886 GPRESSURE: 4415200 -144.067 -132.107 11.8254 -139.778 -404.689 -54.2751 107.31 180.144 465.943 PRESSAVG: 4415200 -32.7542 -18.1981 -15.6411 -18.1981 -4.00181 19.1893 -15.6412 19.1893 10.8429 GPRESSAVG: 4415200 -32.2017 -18.4562 -15.8858 -17.7024 -4.86172 21.183 -14.0408 16.669 11.1224 TIMING: 4415200 CPU: 14011.1, 0.00315024/step Wall: 14011.1, 0.00315024/step, 0.511739 hours remaining, 241.523438 MB of memory in use. ENERGY: 4415200 4057.3585 20520.4320 14395.5014 234.8632 -203003.3166 2309.7942 0.0000 0.0000 52013.3017 -109472.0655 298.9212 -161485.3673 -109113.3556 299.0777 -52.3812 -27.6043 762566.8468 -8.6377 -8.6470 PRESSURE: 4415400 -218.436 31.4207 201.848 31.4215 -327.979 -127.096 201.848 -127.096 234.693 GPRESSURE: 4415400 -118.739 68.2561 203.329 -72.5753 -284.836 -79.9004 111.332 -139.59 201.383 PRESSAVG: 4415400 19.5146 18.1054 9.00136 18.1054 -14.9206 -4.85505 9.00133 -4.85504 -8.50908 GPRESSAVG: 4415400 18.5172 18.9067 9.09911 17.0028 -14.3414 -5.36715 5.98178 -5.24641 -7.84207 TIMING: 4415400 CPU: 14011.7, 0.00314367/step Wall: 14011.7, 0.00314367/step, 0.510498 hours remaining, 241.523438 MB of memory in use. ENERGY: 4415400 4045.5213 20550.7049 14466.3425 243.3378 -203279.2382 2608.1425 0.0000 0.0000 52045.4044 -109319.7848 299.1057 -161365.1892 -108953.6060 299.3382 -103.9075 -67.3973 760869.8647 -1.3050 -1.2221 PRESSURE: 4415600 -387.723 215.874 -49.5417 215.874 -102.396 54.6491 -49.5411 54.6494 -69.0559 GPRESSURE: 4415600 -198.446 284.89 -18.2859 225.254 -251.321 -44.0542 5.03098 186.696 -16.6009 PRESSAVG: 4415600 51.9819 26.2581 -27.0252 26.258 -35.5298 60.4239 -27.0252 60.4238 7.51961 GPRESSAVG: 4415600 52.5279 26.9099 -25.4789 28.2471 -35.3659 61.5868 -23.7243 60.0492 6.9552 TIMING: 4415600 CPU: 14012.4, 0.00314619/step Wall: 14012.4, 0.00314619/step, 0.510732 hours remaining, 241.523438 MB of memory in use. ENERGY: 4415600 4002.5873 20528.7347 14421.8353 247.3098 -203422.0663 2680.9107 0.0000 0.0000 52088.3460 -109452.3425 299.3524 -161540.6885 -109085.5888 299.4855 -186.3918 -155.4561 760753.8176 7.9906 8.0391 PRESSURE: 4415800 -21.8751 -199.098 -46.1591 -199.099 -243.283 -116.196 -46.159 -116.196 -137.552 GPRESSURE: 4415800 -83.9167 -235.8 -45.4177 -243.828 -131.758 -38.6661 -82.7652 -83.5167 -91.2278 PRESSAVG: 4415800 -22.6778 -53.6468 -5.62808 -53.6468 29.5858 36.2927 -5.62808 36.2925 9.79375 GPRESSAVG: 4415800 -23.8376 -53.3078 -6.92632 -55.4401 31.1982 36.4182 -6.64634 36.4201 9.3475 TIMING: 4415800 CPU: 14013, 0.00312243/step Wall: 14013, 0.00312244/step, 0.506702 hours remaining, 241.523438 MB of memory in use. ENERGY: 4415800 4088.8188 20498.0814 14468.6714 260.9118 -203254.1992 2412.6802 0.0000 0.0000 52026.8859 -109498.1496 298.9992 -161525.0355 -109138.4719 299.0811 -134.2367 -102.3007 760943.0871 5.5672 5.5694 PRESSURE: 4416000 -211.626 -107.471 120.46 -107.471 -6.73778 71.563 120.46 71.5633 -395.818 GPRESSURE: 4416000 -135.382 -58.709 160.877 -134.051 25.0435 159.958 241.295 4.76254 -409.953 PRESSAVG: 4416000 -46.3693 11.3038 33.108 11.3038 47.6593 -6.26585 33.108 -6.26575 -22.4152 GPRESSAVG: 4416000 -46.2205 10.256 33.8413 12.3245 47.0744 -8.03109 33.3883 -6.03302 -22.0301 TIMING: 4416000 CPU: 14013.6, 0.0031308/step Wall: 14013.6, 0.0031308/step, 0.507886 hours remaining, 241.523438 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: 4416000 4029.8935 20463.9882 14592.0834 254.3610 -203442.2835 2540.9697 0.0000 0.0000 52097.1547 -109463.8332 299.4031 -161560.9879 -109101.7811 299.5921 -204.7271 -173.4305 761397.5932 -7.0417 -7.0588 PRESSURE: 4416200 -561.782 85.3935 87.0511 85.3941 31.3235 109.829 87.0521 109.828 119.2 GPRESSURE: 4416200 -427.862 187.6 66.1598 115.511 -23.8326 170.211 -0.574675 91.8794 126.211 PRESSAVG: 4416200 -44.501 -47.8148 -40.2678 -47.8147 3.94945 54.009 -40.2678 54.009 -6.09125 GPRESSAVG: 4416200 -43.505 -47.7785 -40.6168 -48.3229 2.22928 54.6077 -39.9602 55.1251 -5.38006 TIMING: 4416200 CPU: 14014.2, 0.00313621/step Wall: 14014.2, 0.00313621/step, 0.508588 hours remaining, 241.523438 MB of memory in use. ENERGY: 4416200 4053.5233 20616.5963 14466.4025 250.6210 -203449.5889 2475.2972 0.0000 0.0000 52108.9418 -109478.2067 299.4708 -161587.1485 -109116.4762 299.3744 -137.0860 -108.4945 760838.8325 -15.5476 -15.5519 LDB: ============= START OF LOAD BALANCING ============== 14026.7 LDB: ============== END OF LOAD BALANCING =============== 14026.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14026.7 LDB: ============= START OF LOAD BALANCING ============== 14027 LDB: Largest compute 7032 load 0.034836 is 17.8% of average load 0.195402 LDB: Average compute 0.004368 is 2.2% of average load 0.195402 LDB: TIME 14027 LOAD: AVG 0.195402 MAX 0.213898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.227 MB LDB: TIME 14027 LOAD: AVG 0.195402 MAX 0.213898 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.32 MB LDB: TIME 14027 LOAD: AVG 0.195402 MAX 0.213898 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.32 MB LDB: ============== END OF LOAD BALANCING =============== 14027 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14027 PRESSURE: 4416400 -168.064 56.8927 -44.639 56.893 9.18404 17.8586 -44.639 17.8585 -128.272 GPRESSURE: 4416400 -127.938 97.1357 -85.2356 40.5468 -13.2442 63.5253 9.07416 -40.4198 -77.9021 PRESSAVG: 4416400 -31.3174 -39.9159 24.0157 -39.9159 -6.94232 26.7372 24.0157 26.7372 -13.413 GPRESSAVG: 4416400 -32.4709 -39.8744 24.8144 -40.5943 -5.87544 27.7347 23.8139 27.1103 -13.343 TIMING: 4416400 CPU: 14014.9, 0.0032172/step Wall: 14014.9, 0.0032172/step, 0.521544 hours remaining, 240.863281 MB of memory in use. ENERGY: 4416400 4086.3084 20359.8015 14512.0637 224.3523 -203732.6310 2835.7713 0.0000 0.0000 52192.1399 -109522.1939 299.9489 -161714.3338 -109156.9212 299.3438 -95.7173 -73.0282 762071.2042 -17.2242 -17.2298 PRESSURE: 4416600 -215.81 85.4016 -300.752 85.4025 -250.512 -45.9448 -300.752 -45.944 -207.898 GPRESSURE: 4416600 -183.18 14.3427 -297.298 116.255 -184.676 -46.9589 -145.281 27.1853 -218.696 PRESSAVG: 4416600 -27.0338 46.1861 -26.7235 46.1862 -8.39094 34.8979 -26.7235 34.8979 1.42024 GPRESSAVG: 4416600 -26.761 45.6162 -27.4486 47.5089 -8.37991 34.3009 -26.7286 32.5718 0.871903 TIMING: 4416600 CPU: 14015.5, 0.00316786/step Wall: 14015.5, 0.00316786/step, 0.513369 hours remaining, 241.066406 MB of memory in use. ENERGY: 4416600 4064.7609 20472.5030 14553.7379 258.2507 -203529.9738 2479.3498 0.0000 0.0000 52175.1367 -109526.2349 299.8512 -161701.3716 -109164.9822 299.3126 -224.7404 -195.5175 762760.7294 -11.3348 -11.4230 PRESSURE: 4416800 -141.497 51.0956 144.184 51.096 490.035 -32.5458 144.184 -32.5455 390.06 GPRESSURE: 4416800 -74.8785 4.14032 207.866 15.9036 469.444 -53.3804 11.6596 -151.039 421.819 PRESSAVG: 4416800 -13.3522 22.0122 -13.3687 22.0121 39.9503 23.3794 -13.3687 23.3794 5.34884 GPRESSAVG: 4416800 -12.684 21.4644 -14.5672 20.8593 39.229 23.3222 -12.8365 23.2935 5.60019 TIMING: 4416800 CPU: 14016.2, 0.0031537/step Wall: 14016.2, 0.0031537/step, 0.5109 hours remaining, 241.066406 MB of memory in use. ENERGY: 4416800 3986.9839 20355.2743 14492.7467 223.3977 -203271.4761 2499.6365 0.0000 0.0000 51875.0931 -109838.3440 298.1269 -161713.4371 -109471.5060 299.1977 246.1993 272.1281 760662.8787 10.6490 10.7151 PRESSURE: 4417000 219.493 130.082 164.953 130.082 -124.656 79.9506 164.952 79.9507 203.341 GPRESSURE: 4417000 242.044 60.3304 121.125 14.3318 -33.0498 58.5971 113.851 194.248 180.022 PRESSAVG: 4417000 -37.8111 -5.3851 -9.65098 -5.38511 60.1642 30.4934 -9.651 30.4934 -25.4294 GPRESSAVG: 4417000 -38.7306 -3.28296 -9.303 -5.70635 60.7663 31.4279 -9.19166 29.7883 -24.9107 TIMING: 4417000 CPU: 14016.8, 0.00315832/step Wall: 14016.8, 0.00315832/step, 0.511472 hours remaining, 241.066406 MB of memory in use. ENERGY: 4417000 4000.0371 20441.8677 14453.1464 263.1436 -203510.9040 2723.0208 0.0000 0.0000 51909.9657 -109719.7227 298.3273 -161629.6884 -109354.2845 298.8939 99.3929 129.6720 759021.5848 -1.0254 -0.9583 PRESSURE: 4417200 -121.596 34.2646 -139.919 34.2642 108.416 -68.8403 -139.919 -68.8402 52.9378 GPRESSURE: 4417200 -77.5188 53.2008 -71.0356 16.3697 153.195 -82.4862 -141.066 10.4104 39.5008 PRESSAVG: 4417200 -33.5402 -32.7505 42.2725 -32.7504 34.4107 31.9126 42.2725 31.9126 3.81637 GPRESSAVG: 4417200 -33.514 -33.0082 43.2619 -32.3716 33.693 32.1287 41.3649 34.4349 4.03586 TIMING: 4417200 CPU: 14017.4, 0.00315101/step Wall: 14017.4, 0.00315101/step, 0.510114 hours remaining, 241.066406 MB of memory in use. ENERGY: 4417200 3992.0386 20365.9984 14480.2609 250.0737 -203769.5637 2868.2918 0.0000 0.0000 52155.0826 -109657.8178 299.7360 -161812.9004 -109293.4812 299.3834 13.2526 38.3923 759010.8851 1.5623 1.4050 PRESSURE: 4417400 244.756 -126.146 -25.3025 -126.146 -113.237 111.774 -25.3024 111.774 108.998 GPRESSURE: 4417400 201.399 -187.241 47.3297 -47.2416 41.4294 64.16 -157.025 136.337 83.7265 PRESSAVG: 4417400 -36.4475 -49.2783 -26.6554 -49.2783 49.2304 20.1411 -26.6554 20.141 3.2952 GPRESSAVG: 4417400 -36.6839 -49.2612 -25.3988 -49.4221 49.7072 18.2592 -25.9522 19.8753 3.71662 TIMING: 4417400 CPU: 14018, 0.00313495/step Wall: 14018, 0.00313495/step, 0.50734 hours remaining, 241.066406 MB of memory in use. ENERGY: 4417400 4011.1409 20388.4359 14425.5968 245.2013 -203052.9346 2427.2305 0.0000 0.0000 51682.1363 -109873.1928 297.0179 -161555.3292 -109518.6088 298.4248 80.1723 108.8515 759871.5199 5.3594 5.5800 PRESSURE: 4417600 -363.596 0.0300723 -157.65 0.0302036 -366.791 -190.283 -157.65 -190.284 -426.911 GPRESSURE: 4417600 -274.148 27.5575 -110.453 -11.9323 -382.83 -211.981 -156.716 -203.009 -400.461 PRESSAVG: 4417600 -19.5039 -5.43365 -25.6801 -5.43357 -1.30849 26.5913 -25.6801 26.5912 -12.425 GPRESSAVG: 4417600 -19.8003 -4.34224 -27.4369 -5.21084 -1.75814 26.4008 -25.9537 26.2729 -11.8249 TIMING: 4417600 CPU: 14018.7, 0.00312899/step Wall: 14018.7, 0.00312899/step, 0.506201 hours remaining, 241.066406 MB of memory in use. ENERGY: 4417600 3959.7455 20461.3434 14384.8779 248.6407 -203217.2707 2212.0425 0.0000 0.0000 52131.6417 -109818.9791 299.6013 -161950.6208 -109455.6118 298.4624 -385.7662 -352.4797 760443.3832 -11.0791 -11.1278 PRESSURE: 4417800 52.8368 55.3613 27.8772 55.3615 388.821 56.4762 27.8768 56.4759 5.32173 GPRESSURE: 4417800 118.456 145.106 41.0827 69.2005 355.71 130.506 -62.2108 98.5774 35.9623 PRESSAVG: 4417800 -12.65 -42.6191 -6.70566 -42.619 30.9328 -16.0749 -6.70569 -16.075 8.58625 GPRESSAVG: 4417800 -11.5626 -43.8429 -6.53653 -40.8385 31.721 -16.9704 -4.28466 -15.4095 6.70437 TIMING: 4417800 CPU: 14019.3, 0.00316561/step Wall: 14019.3, 0.00316561/step, 0.51195 hours remaining, 241.066406 MB of memory in use. ENERGY: 4417800 3971.9361 20526.0128 14482.0186 246.1371 -203329.7152 2571.1572 0.0000 0.0000 51799.5234 -109732.9299 297.6926 -161532.4533 -109368.4801 298.5620 148.9933 170.0428 760874.0780 8.9564 8.9543 PRESSURE: 4418000 -66.637 18.6026 51.9091 18.6022 -270.059 -84.6824 51.9093 -84.6825 -93.601 GPRESSURE: 4418000 -38.3143 67.1163 -91.5146 17.0897 -113.55 75.9368 20.332 -54.7378 -194.506 PRESSAVG: 4418000 13.6528 -41.9351 52.1514 -41.9351 30.2746 -15.2651 52.1514 -15.2651 4.21294 GPRESSAVG: 4418000 13.8626 -41.3143 51.1785 -43.4872 28.9952 -12.0078 49.8512 -15.4929 5.08192 TIMING: 4418000 CPU: 14019.9, 0.00315831/step Wall: 14019.9, 0.00315831/step, 0.510594 hours remaining, 241.066406 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: 4418000 3995.7523 20498.6430 14430.5624 233.7606 -202963.3278 2237.0760 0.0000 0.0000 51829.6996 -109737.8340 297.8660 -161567.5335 -109381.1383 298.6847 -143.4322 -115.4566 761052.0138 16.0468 15.9799 PRESSURE: 4418200 269.759 -0.563621 18.8929 -0.563579 -130.424 -40.4479 18.893 -40.4473 478.038 GPRESSURE: 4418200 346.509 -18.2263 156.072 -51.1191 -88.5784 -51.7374 75.7909 -111.517 436.135 PRESSAVG: 4418200 28.8399 -40.4652 -29.8652 -40.4652 -4.29831 2.57049 -29.8652 2.57051 -13.7041 GPRESSAVG: 4418200 28.4269 -41.0532 -27.4664 -39.808 -3.92625 2.24612 -28.6991 2.29766 -13.0565 TIMING: 4418200 CPU: 14020.6, 0.00313984/step Wall: 14020.6, 0.00313984/step, 0.507433 hours remaining, 241.066406 MB of memory in use. ENERGY: 4418200 3999.6348 20471.8541 14416.2155 256.8447 -203814.1344 2877.9853 0.0000 0.0000 51935.2971 -109856.3030 298.4729 -161791.6000 -109492.9770 298.6117 205.7910 231.3552 760807.7246 3.6125 3.8147 PRESSURE: 4418400 -166.591 -118.751 -26.5444 -118.75 123.101 -125.501 -26.5449 -125.501 108.978 GPRESSURE: 4418400 -111.771 -154.891 -129.136 15.086 187.597 -182.369 -177.564 -100.667 87.0028 PRESSAVG: 4418400 -41.6777 -44.7857 -7.43479 -44.7857 -6.73543 5.16554 -7.43487 5.16556 -9.07692 GPRESSAVG: 4418400 -41.0474 -42.8296 -9.18914 -44.1355 -7.55236 4.31698 -7.11714 5.28313 -8.73406 TIMING: 4418400 CPU: 14021.2, 0.00315894/step Wall: 14021.2, 0.00315894/step, 0.510345 hours remaining, 241.066406 MB of memory in use. ENERGY: 4418400 3974.2210 20474.1007 14457.6696 264.9762 -203691.3304 2740.9012 0.0000 0.0000 51749.2631 -110030.1987 297.4037 -161779.4617 -109672.6792 297.9952 21.8294 54.2765 761447.9022 -19.1634 -19.1113 PRESSURE: 4418600 151.13 48.4707 -242.415 48.4692 209.682 -57.8795 -242.416 -57.8798 142.061 GPRESSURE: 4418600 204.348 -44.5105 -214.726 33.4561 225.753 -24.0878 -194.229 -127.139 141.299 PRESSAVG: 4418600 -94.4716 -5.85464 18.1512 -5.85469 83.8512 -70.6193 18.1513 -70.6192 16.4655 GPRESSAVG: 4418600 -93.4443 -8.25552 20.6048 -6.74282 84.0493 -70.9382 18.2602 -72.1628 15.3015 TIMING: 4418600 CPU: 14021.8, 0.003161/step Wall: 14021.8, 0.003161/step, 0.510502 hours remaining, 241.066406 MB of memory in use. ENERGY: 4418600 3910.4820 20451.9144 14415.5362 226.9976 -203458.3154 2619.2859 0.0000 0.0000 52000.9966 -109833.1028 298.8504 -161834.0994 -109473.5363 298.1428 167.6241 190.4666 761263.3164 1.9484 1.9688 PRESSURE: 4418800 -1.64455 30.9796 -25.041 30.9787 -127.329 108.65 -25.0413 108.651 -100.434 GPRESSURE: 4418800 -39.6275 -66.9359 -56.9242 116.649 -82.3293 88.3803 72.2736 87.6769 -16.3513 PRESSAVG: 4418800 -17.8431 -53.6946 -12.673 -53.6945 33.9263 -58.7012 -12.6731 -58.7012 12.7148 GPRESSAVG: 4418800 -19.5627 -52.6072 -14.8997 -54.4145 34.9383 -59.0306 -13.9707 -56.3789 13.6627 TIMING: 4418800 CPU: 14022.5, 0.00315539/step Wall: 14022.5, 0.00315539/step, 0.50942 hours remaining, 241.066406 MB of memory in use. ENERGY: 4418800 3913.7614 20306.3514 14470.5483 262.1651 -202996.8026 2535.8546 0.0000 0.0000 51804.1894 -109703.9324 297.7194 -161508.1218 -109347.2402 298.8382 -76.4692 -46.1027 760638.9136 9.5993 9.6794 PRESSURE: 4419000 -42.1661 -208.781 71.4171 -208.78 181.289 146.394 71.4167 146.394 374.393 GPRESSURE: 4419000 88.6403 -235.068 141.94 -248.945 137.966 124.418 215.479 135.534 361.501 PRESSAVG: 4419000 -14.0435 -52.2357 14.3987 -52.2357 -17.2225 10.6944 14.3987 10.6944 -9.10577 GPRESSAVG: 4419000 -13.242 -51.7032 15.395 -51.6326 -19.002 12.5452 13.8907 9.8304 -8.39135 TIMING: 4419000 CPU: 14023.1, 0.00317273/step Wall: 14023.1, 0.00317273/step, 0.512044 hours remaining, 241.066406 MB of memory in use. ENERGY: 4419000 3873.8900 20462.7433 14434.7381 244.1096 -203361.0096 2558.0529 0.0000 0.0000 51948.3125 -109839.1632 298.5477 -161787.4757 -109475.6882 298.5148 171.1717 196.0359 760563.0241 -13.4573 -13.5451 PRESSURE: 4419200 -495.1 -56.31 126.319 -56.3103 -281.317 50.2109 126.319 50.2115 83.027 GPRESSURE: 4419200 -317.67 -34.8441 148.057 -131.773 -348.401 52.5378 52.65 38.8144 55.0856 PRESSAVG: 4419200 -26.7601 -33.7555 56.9522 -33.7555 41.6932 11.863 56.9522 11.8631 6.30812 GPRESSAVG: 4419200 -27.4356 -32.637 58.5795 -36.7558 42.3121 8.80072 55.9297 12.1826 4.92803 TIMING: 4419200 CPU: 14023.7, 0.0031428/step Wall: 14023.7, 0.0031428/step, 0.507038 hours remaining, 241.066406 MB of memory in use. ENERGY: 4419200 3904.1151 20485.5119 14449.9278 229.0339 -202966.3498 2251.6469 0.0000 0.0000 51921.1957 -109724.9185 298.3918 -161646.1142 -109363.3458 298.7719 -231.1299 -203.6619 760658.8343 7.0804 6.6015 PRESSURE: 4419400 -430.138 -9.25981 195.764 -9.25937 158.513 20.1516 195.764 20.1528 -289.681 GPRESSURE: 4419400 -409.712 71.8582 172.161 26.4066 79.4518 76.6156 164.623 -20.6339 -158.951 PRESSAVG: 4419400 -17.8615 -14.6449 12.377 -14.6449 17.4322 -1.31604 12.377 -1.31605 5.08373 GPRESSAVG: 4419400 -17.318 -14.4969 10.852 -11.6596 16.4863 0.308768 13.1885 -1.19848 6.21656 TIMING: 4419400 CPU: 14024.4, 0.00314627/step Wall: 14024.4, 0.00314627/step, 0.507424 hours remaining, 241.066406 MB of memory in use. ENERGY: 4419400 4007.8015 20423.0158 14426.6862 242.2672 -203500.6135 2585.5891 0.0000 0.0000 51966.9834 -109848.2704 298.6550 -161815.2538 -109486.3672 298.5333 -187.1020 -163.0703 762208.8571 1.5515 1.7950 PRESSURE: 4419600 273.548 17.9867 -50.7086 17.9859 130.059 20.5117 -50.7092 20.5128 216.229 GPRESSURE: 4419600 299.677 -11.8201 -108.895 -35.7113 168.173 89.3482 -106.162 17.3434 203.534 PRESSAVG: 4419600 -78.5442 -107.76 -39.8073 -107.76 7.72827 -40.5189 -39.8074 -40.5189 -15.7934 GPRESSAVG: 4419600 -78.6865 -108.634 -37.8637 -107.707 8.71776 -41.8151 -40.3906 -41.1002 -16.956 TIMING: 4419600 CPU: 14025, 0.00314893/step Wall: 14025, 0.00314893/step, 0.507678 hours remaining, 241.066406 MB of memory in use. ENERGY: 4419600 3957.0574 20521.8885 14496.0613 250.1938 -203709.7827 2830.4840 0.0000 0.0000 51704.5649 -109949.5327 297.1468 -161654.0976 -109595.8227 298.5535 206.6121 223.7945 758643.0647 -28.8698 -28.9749 PRESSURE: 4419800 -107.49 -53.871 60.065 -53.8709 -383.137 87.1463 60.0653 87.1473 -185.654 GPRESSURE: 4419800 -158.213 -53.3882 75.0848 -108.374 -304.611 192.063 86.5983 -21.3452 -134.804 PRESSAVG: 4419800 -1.70024 -77.0057 -23.919 -77.0056 6.38754 34.8285 -23.9189 34.8285 -6.99706 GPRESSAVG: 4419800 -2.43538 -76.2455 -27.5268 -77.8594 5.44751 35.7805 -22.5859 32.9564 -5.27435 TIMING: 4419800 CPU: 14025.6, 0.00313059/step Wall: 14025.6, 0.0031306/step, 0.504548 hours remaining, 241.066406 MB of memory in use. ENERGY: 4419800 3969.3950 20530.1067 14410.1325 253.5785 -203302.5122 2179.8721 0.0000 0.0000 52057.2672 -109902.1601 299.1738 -161959.4274 -109542.3457 298.7546 -225.4270 -199.2094 760782.1127 -0.7699 -0.7541 PRESSURE: 4420000 -310.817 -183.698 -8.41552 -183.698 -63.2044 132.87 -8.41483 132.87 -75.1065 GPRESSURE: 4420000 -222.867 -120.24 34.0606 -233.558 -53.7764 116.979 136.758 149.033 -62.8885 PRESSAVG: 4420000 -23.3415 -37.6445 -24.9183 -37.6444 27.6665 -6.09169 -24.9184 -6.09166 21.0623 GPRESSAVG: 4420000 -22.8557 -39.2169 -23.7656 -36.256 27.8657 -5.757 -25.1269 -5.14265 20.1686 TIMING: 4420000 CPU: 14026.2, 0.00314057/step Wall: 14026.2, 0.00314057/step, 0.505981 hours remaining, 241.066406 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: 4420000 3910.6988 20573.5000 14449.9459 272.9355 -203656.5217 2642.5314 0.0000 0.0000 52238.2457 -109568.6643 300.2139 -161806.9100 -109202.2359 299.3359 -149.7093 -113.1773 760786.8290 8.4624 8.3929 PRESSURE: 4420200 -161.812 -167.641 -60.6718 -167.641 -193.954 -84.0392 -60.671 -84.0386 37.0242 GPRESSURE: 4420200 -95.9681 -159.87 -39.243 -141.724 -150.133 -42.895 -58.3308 -196.017 27.9396 PRESSAVG: 4420200 15.7053 -22.0806 16.9969 -22.0806 -13.1869 -12.7704 16.9969 -12.7704 30.4052 GPRESSAVG: 4420200 15.5704 -21.5605 17.0426 -24.8072 -12.3459 -13.9057 16.4379 -12.2951 29.4598 TIMING: 4420200 CPU: 14026.9, 0.00314013/step Wall: 14026.9, 0.00314013/step, 0.505735 hours remaining, 241.066406 MB of memory in use. ENERGY: 4420200 4026.4622 20478.1167 14407.2992 249.2524 -203297.7158 2334.1447 0.0000 0.0000 52162.5057 -109639.9349 299.7786 -161802.4406 -109282.2196 299.3672 -106.2472 -72.7204 759305.2075 10.9745 10.8948 LDB: ============= START OF LOAD BALANCING ============== 14039.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14039.3 LDB: =============== DONE WITH MIGRATION ================ 14039.3 LDB: ============= START OF LOAD BALANCING ============== 14039.6 LDB: Largest compute 7078 load 0.033775 is 17.3% of average load 0.195476 LDB: Average compute 0.004391 is 2.2% of average load 0.195476 LDB: TIME 14039.6 LOAD: AVG 0.195476 MAX 0.215665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.539 MB LDB: TIME 14039.6 LOAD: AVG 0.195476 MAX 0.215665 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.633 MB LDB: TIME 14039.6 LOAD: AVG 0.195476 MAX 0.215665 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.633 MB LDB: ============== END OF LOAD BALANCING =============== 14039.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14039.6 PRESSURE: 4420400 -492.724 -111.604 29.9772 -111.603 -268.205 79.0024 29.9765 79.0028 -554.381 GPRESSURE: 4420400 -448.787 -91.5587 87.4173 -174.698 -209.947 55.5578 10.1905 151.189 -568.876 PRESSAVG: 4420400 -35.3223 -36.765 -9.11315 -36.7649 50.5519 -28.1174 -9.11315 -28.1173 -2.60005 GPRESSAVG: 4420400 -36.3671 -35.6059 -7.49069 -35.4015 51.8853 -26.7413 -7.38442 -27.7928 -2.63497 TIMING: 4420400 CPU: 14027.5, 0.00320796/step Wall: 14027.5, 0.00320796/step, 0.516481 hours remaining, 241.890625 MB of memory in use. ENERGY: 4420400 4029.2730 20449.8164 14404.4070 237.4467 -203607.0374 2464.8543 0.0000 0.0000 52362.6949 -109658.5450 300.9291 -162021.2399 -109302.1456 298.8619 -438.4367 -409.2035 760836.2714 4.2098 4.2944 PRESSURE: 4420600 -2.41237 -63.291 -194.228 -63.2921 283.286 -17.2217 -194.228 -17.2208 276.754 GPRESSURE: 4420600 60.6986 73.1204 -150.898 -121.663 317.741 -15.9908 -198.898 -2.73366 261.23 PRESSAVG: 4420600 -50.9803 -33.1987 8.75552 -33.1987 50.1258 10.6137 8.75549 10.6137 -56.9008 GPRESSAVG: 4420600 -50.1643 -33.797 8.6727 -33.4241 48.1286 9.62303 7.58699 12.9762 -56.2929 TIMING: 4420600 CPU: 14028.1, 0.00316859/step Wall: 14028.1, 0.00316859/step, 0.509967 hours remaining, 242.093750 MB of memory in use. ENERGY: 4420600 4036.8782 20639.3550 14464.4635 238.5953 -203899.2796 2812.7676 0.0000 0.0000 52029.6377 -109677.5822 299.0150 -161707.2199 -109318.8933 299.5055 185.8758 213.2230 761117.9733 -19.2517 -19.4429 PRESSURE: 4420800 94.609 -230.836 49.8729 -230.835 -149.274 -232.519 49.8732 -232.519 113.845 GPRESSURE: 4420800 106.101 -214.148 76.7503 -215.38 -120.428 -219.23 54.1412 -278.525 173.317 PRESSAVG: 4420800 -129.053 -47.5118 5.13859 -47.5117 97.9983 -25.181 5.1386 -25.181 7.23063 GPRESSAVG: 4420800 -128.992 -48.2734 4.44638 -45.7175 99.3563 -26.3398 6.3583 -27.3572 6.35178 TIMING: 4420800 CPU: 14028.8, 0.0031491/step Wall: 14028.8, 0.0031491/step, 0.506655 hours remaining, 242.093750 MB of memory in use. ENERGY: 4420800 3989.7263 20642.7343 14387.1372 259.8001 -203563.1005 2566.1222 0.0000 0.0000 51926.7147 -109790.8657 298.4235 -161717.5804 -109442.3595 299.1188 19.7265 52.9967 761828.8635 -7.9414 -7.7613 PRESSURE: 4421000 14.5882 -167.339 168.941 -167.339 -55.0024 145.25 168.941 145.25 -8.17061 GPRESSURE: 4421000 145.474 -90.41 174.468 -149.997 -75.5779 124.952 197.949 -9.18752 -26.0157 PRESSAVG: 4421000 -63.7751 -74.5639 -10.0352 -74.5639 40.2222 37.5112 -10.0352 37.5111 -10.6066 GPRESSAVG: 4421000 -63.5257 -73.7127 -9.81896 -73.596 39.6776 38.5664 -12.4993 38.2256 -10.7771 TIMING: 4421000 CPU: 14029.4, 0.00315514/step Wall: 14029.4, 0.00315514/step, 0.507451 hours remaining, 242.093750 MB of memory in use. ENERGY: 4421000 3963.6792 20390.5143 14449.9095 234.7365 -203527.5334 2519.6302 0.0000 0.0000 52083.4508 -109885.6129 299.3243 -161969.0636 -109510.6319 298.9698 -16.1949 14.6267 760718.8272 -11.3865 -11.5417 PRESSURE: 4421200 203.593 251.984 -73.0316 251.984 -76.8134 -157.777 -73.0317 -157.777 303.213 GPRESSURE: 4421200 269.648 70.4895 -17.3635 140.713 -96.1425 -124.62 -43.6146 -178.146 332.148 PRESSAVG: 4421200 -45.321 -43.2009 -23.0828 -43.2009 40.6384 20.4514 -23.0828 20.4514 -5.50911 GPRESSAVG: 4421200 -46.1046 -42.6857 -23.0932 -45.2703 41.222 21.0969 -22.0591 21.4377 -5.29839 TIMING: 4421200 CPU: 14030, 0.00314887/step Wall: 14030, 0.00314887/step, 0.506269 hours remaining, 242.093750 MB of memory in use. ENERGY: 4421200 4040.7996 20333.5373 14378.7001 246.2314 -203324.6979 2406.2186 0.0000 0.0000 52091.3869 -109827.8241 299.3699 -161919.2109 -109460.1948 299.0467 143.3309 168.5510 759903.8594 -3.3973 -3.3937 PRESSURE: 4421400 -198.941 -192.729 -45.0186 -192.73 -458.804 40.0305 -45.018 40.0297 32.1186 GPRESSURE: 4421400 -138.624 -201.805 -53.0952 -132.623 -410.278 40.3462 -2.20147 54.0062 14.8998 PRESSAVG: 4421400 -21.6194 -15.7664 7.22224 -15.7664 44.2633 38.6361 7.22224 38.6362 -7.18903 GPRESSAVG: 4421400 -22.8615 -18.5212 6.58663 -15.4446 44.4725 38.7722 9.58688 37.3576 -6.36614 TIMING: 4421400 CPU: 14030.7, 0.00313678/step Wall: 14030.7, 0.00313678/step, 0.50415 hours remaining, 242.093750 MB of memory in use. ENERGY: 4421400 4028.9478 20523.4225 14447.6476 214.8853 -203329.6620 2353.2117 0.0000 0.0000 52172.0636 -109589.4835 299.8336 -161761.5471 -109239.8452 299.0260 -208.5420 -178.0008 760868.7108 5.1516 5.0816 PRESSURE: 4421600 -167.084 -91.9989 91.0586 -91.9994 76.6622 36.5416 91.0584 36.5417 504.08 GPRESSURE: 4421600 -106.939 -123.783 199.398 -59.7001 177.73 59.2568 144.338 67.7048 426.717 PRESSAVG: 4421600 -41.536 -34.8092 43.7985 -34.8092 21.1852 52.2009 43.7985 52.2009 8.12614 GPRESSAVG: 4421600 -40.616 -34.3498 46.6312 -33.6661 20.8416 51.6941 41.4005 51.5481 7.45371 TIMING: 4421600 CPU: 14031.3, 0.00314414/step Wall: 14031.3, 0.00314414/step, 0.505159 hours remaining, 242.093750 MB of memory in use. ENERGY: 4421600 3935.9285 20522.5835 14478.8269 243.2267 -203613.0603 2662.1352 0.0000 0.0000 52297.6829 -109472.6767 300.5555 -161770.3596 -109103.7832 299.3177 137.8860 165.8361 761021.6561 -4.0749 -4.1069 PRESSURE: 4421800 -21.5677 35.8454 29.9547 35.8449 -131.632 274.796 29.9548 274.796 502.447 GPRESSURE: 4421800 32.4195 31.5781 82.1342 -60.2447 -24.5734 220.399 -6.22944 258.512 427.761 PRESSAVG: 4421800 -0.47574 -23.6544 41.9772 -23.6544 -17.7828 39.9115 41.9772 39.9115 -11.4845 GPRESSAVG: 4421800 0.111712 -21.8179 37.5137 -24.9718 -18.3405 38.8115 43.5643 41.4848 -10.8836 TIMING: 4421800 CPU: 14031.9, 0.00313024/step Wall: 14031.9, 0.00313024/step, 0.502751 hours remaining, 242.093750 MB of memory in use. ENERGY: 4421800 3954.9283 20600.7935 14445.6366 247.1621 -203365.2543 2511.6709 0.0000 0.0000 52150.2763 -109454.7865 299.7084 -161605.0628 -109096.9324 299.9872 116.4157 145.2024 761190.6864 -9.9143 -9.7041 PRESSURE: 4422000 99.6505 46.0406 140.469 46.0409 -33.2368 -93.2633 140.469 -93.2632 -13.6677 GPRESSURE: 4422000 108.066 19.0926 56.4699 84.7148 -67.8583 -15.6002 146.141 -30.6425 99.2685 PRESSAVG: 4422000 -15.0858 -26.4745 -0.790921 -26.4745 6.56355 -14.6029 -0.790955 -14.6029 3.42448 GPRESSAVG: 4422000 -16.6894 -29.0696 1.42517 -28.137 7.13168 -14.5773 -2.24066 -14.5391 4.05887 TIMING: 4422000 CPU: 14032.5, 0.00312329/step Wall: 14032.5, 0.00312329/step, 0.501462 hours remaining, 242.093750 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: 4422000 4018.2452 20424.5928 14431.3653 253.8949 -202850.2373 2194.1992 0.0000 0.0000 52184.8758 -109343.0642 299.9072 -161527.9400 -108980.1152 299.7507 17.5820 46.4920 760330.3569 -1.6992 -1.8329 PRESSURE: 4422200 300.263 -220.636 -199.334 -220.637 127.548 18.3829 -199.335 18.3818 -114.23 GPRESSURE: 4422200 303.841 28.7198 -147.354 -81.3059 189.818 -1.11802 -105.562 -84.7025 -93.2358 PRESSAVG: 4422200 -25.078 -20.3289 8.5299 -20.3289 45.0163 4.9319 8.52986 4.93201 0.398601 GPRESSAVG: 4422200 -24.2841 -19.153 8.85694 -17.1198 44.5916 5.13011 10.5355 4.45735 -0.178407 TIMING: 4422200 CPU: 14033.2, 0.00314201/step Wall: 14033.2, 0.00314201/step, 0.504293 hours remaining, 242.093750 MB of memory in use. ENERGY: 4422200 4036.1124 20599.1561 14508.5486 243.1811 -203442.9265 2708.5665 0.0000 0.0000 52000.1760 -109347.1861 298.8457 -161347.3621 -109002.0324 300.0161 104.5271 133.4745 760339.3937 6.7790 6.7097 PRESSURE: 4422400 -515.365 173.029 -161.941 173.029 6.5711 279.237 -161.941 279.235 -73.1867 GPRESSURE: 4422400 -434.445 184.425 -195.16 111.112 -1.79496 319.553 -77.7843 199.279 -51.0204 PRESSAVG: 4422400 41.8021 -1.5172 -64.8643 -1.51726 -6.88542 -5.25417 -64.8643 -5.25414 6.97614 GPRESSAVG: 4422400 41.3391 0.531111 -64.3606 -4.06474 -7.30275 -3.6473 -65.9791 -8.48578 7.83253 TIMING: 4422400 CPU: 14033.8, 0.00313339/step Wall: 14033.8, 0.00313339/step, 0.502736 hours remaining, 242.093750 MB of memory in use. ENERGY: 4422400 3974.2130 20428.7022 14402.1928 255.0946 -203241.9431 2329.2573 0.0000 0.0000 52400.4055 -109452.0776 301.1459 -161852.4832 -109090.0523 300.0795 -193.9934 -162.4202 761405.3988 13.9643 13.9563 PRESSURE: 4422600 35.9915 -93.4625 -133.078 -93.4624 140.36 -23.7722 -133.078 -23.7721 -239.824 GPRESSURE: 4422600 33.2758 15.4776 -202.916 -56.7019 122.217 17.1384 -61.3155 -52.0148 -132.312 PRESSAVG: 4422600 -44.6756 19.509 -10.1553 19.5091 20.2564 36.9002 -10.1553 36.9002 14.1968 GPRESSAVG: 4422600 -44.1594 15.6821 -12.3066 20.7961 20.7859 35.8844 -8.3483 39.5247 13.0262 TIMING: 4422600 CPU: 14034.4, 0.00314938/step Wall: 14034.4, 0.00314938/step, 0.505126 hours remaining, 242.093750 MB of memory in use. ENERGY: 4422600 3905.9689 20472.5701 14493.7282 238.9577 -203351.1436 2552.5027 0.0000 0.0000 52079.2839 -109608.1321 299.3004 -161687.4160 -109253.9331 299.5036 -21.1578 7.7270 761735.9352 -3.4075 -3.4491 PRESSURE: 4422800 -40.5375 -54.1442 103.427 -54.1444 75.3768 -278.244 103.427 -278.244 -79.6472 GPRESSURE: 4422800 58.0097 -113.093 18.1322 -235.61 38.6488 -271.228 133.642 -235.362 -76.7766 PRESSAVG: 4422800 -47.0775 11.1822 -20.7756 11.1822 53.7399 -10.1993 -20.7757 -10.1993 -3.942 GPRESSAVG: 4422800 -46.752 14.4304 -20.182 9.27932 53.4295 -11.5005 -20.9445 -9.40011 -4.4349 TIMING: 4422800 CPU: 14035.1, 0.00316681/step Wall: 14035.1, 0.00316681/step, 0.507746 hours remaining, 242.093750 MB of memory in use. ENERGY: 4422800 4082.4932 20379.1576 14496.1660 263.5797 -203303.6710 2323.3413 0.0000 0.0000 52058.2696 -109700.6636 299.1796 -161758.9332 -109344.8373 298.7025 -14.9360 6.6273 759869.4744 0.9068 0.7475 PRESSURE: 4423000 -317.955 -103.914 -9.57457 -103.915 88.3069 -183.515 -9.57351 -183.516 174.045 GPRESSURE: 4423000 -218.97 -46.0623 -49.5109 -42.6372 105.99 -200.885 -50.8229 4.56909 154.56 PRESSAVG: 4423000 -35.482 -22.2511 8.28116 -22.2512 20.671 -24.3179 8.28112 -24.3178 32.5966 GPRESSAVG: 4423000 -34.1928 -22.9029 8.03172 -22.596 19.0558 -23.6321 8.28485 -24.8046 33.3883 TIMING: 4423000 CPU: 14035.7, 0.00316448/step Wall: 14035.7, 0.00316448/step, 0.507195 hours remaining, 242.093750 MB of memory in use. ENERGY: 4423000 4052.7043 20455.9560 14496.7910 227.5400 -203434.0070 2508.1070 0.0000 0.0000 52154.4573 -109538.4515 299.7324 -161692.9088 -109175.9355 299.2669 -18.5345 13.8599 759913.6349 5.9285 6.0838 PRESSURE: 4423200 -144.067 93.9683 -246.361 93.9689 1.39168 -74.0971 -246.361 -74.0968 -135.831 GPRESSURE: 4423200 -108.33 177.175 -173.444 82.0398 7.93958 -58.5152 -244.942 -69.6489 -97.918 PRESSAVG: 4423200 -40.2473 -37.7588 -55.0467 -37.7589 -5.48945 -22.7765 -55.0467 -22.7765 -0.467678 GPRESSAVG: 4423200 -42.4146 -37.0026 -54.8219 -36.2696 -3.55378 -22.6072 -54.0092 -23.0038 -0.74023 TIMING: 4423200 CPU: 14036.3, 0.00316226/step Wall: 14036.3, 0.00316226/step, 0.506665 hours remaining, 242.093750 MB of memory in use. ENERGY: 4423200 3983.9765 20486.1022 14541.7557 245.6638 -203301.1198 2390.6929 0.0000 0.0000 52176.7470 -109476.1818 299.8605 -161652.9287 -109120.6798 299.3833 -92.8353 -66.1028 761379.9942 -15.4015 -15.5695 PRESSURE: 4423400 -6.14761 259.022 240.474 259.022 -290.112 278.773 240.474 278.774 147.446 GPRESSURE: 4423400 13.5433 110.069 323.525 281.021 -183.465 193.896 75.355 365.965 97.4246 PRESSAVG: 4423400 9.98684 -84.1705 24.9112 -84.1705 39.3614 0.611386 24.9113 0.61133 3.65427 GPRESSAVG: 4423400 9.06202 -86.2286 25.4679 -82.9865 39.6856 0.333073 22.5882 1.21415 4.37483 TIMING: 4423400 CPU: 14037, 0.00316364/step Wall: 14037, 0.00316364/step, 0.50671 hours remaining, 242.093750 MB of memory in use. ENERGY: 4423400 3932.3427 20473.4142 14478.6176 252.2313 -203027.8374 2337.6701 0.0000 0.0000 52129.3470 -109424.2144 299.5881 -161553.5614 -109059.8292 299.4469 -49.6047 -24.1658 760870.3602 17.6675 17.7075 PRESSURE: 4423600 4.63804 14.9442 56.1748 14.9451 -275.102 -52.1674 56.1735 -52.1675 -229.867 GPRESSURE: 4423600 -3.45975 -15.1696 -1.12825 15.4487 -199.772 25.9878 101.719 -68.1078 -197.285 PRESSAVG: 4423600 2.9352 -76.2689 40.5361 -76.2688 -22.2216 -36.2678 40.536 -36.2678 24.8286 GPRESSAVG: 4423600 3.37535 -76.954 41.0052 -75.9765 -22.4199 -36.2831 40.2044 -34.3358 24.7805 TIMING: 4423600 CPU: 14037.6, 0.00313717/step Wall: 14037.6, 0.00313717/step, 0.502295 hours remaining, 242.093750 MB of memory in use. ENERGY: 4423600 4024.1891 20538.5363 14416.0225 241.6689 -203426.0797 2736.4465 0.0000 0.0000 52178.2227 -109290.9937 299.8690 -161469.2164 -108934.0581 299.8039 -166.7770 -133.5058 761548.8965 1.8474 1.9120 PRESSURE: 4423800 226.56 77.1417 78.0283 77.1427 -90.836 203.478 78.0282 203.477 109.153 GPRESSURE: 4423800 254.655 54.8808 87.9055 154.336 -38.5696 269.831 -2.95447 137.286 96.7717 PRESSAVG: 4423800 10.3004 -14.2772 34.9653 -14.2771 26.6595 -16.4385 34.9653 -16.4386 13.9294 GPRESSAVG: 4423800 11.4688 -13.0034 33.7388 -14.3591 25.8575 -16.3843 35.5327 -20.2047 13.633 TIMING: 4423800 CPU: 14038.2, 0.00313955/step Wall: 14038.2, 0.00313956/step, 0.502503 hours remaining, 242.093750 MB of memory in use. ENERGY: 4423800 3958.0648 20541.4208 14349.9939 273.2202 -203148.4054 2382.0321 0.0000 0.0000 52268.8440 -109374.8295 300.3898 -161643.6735 -109003.6368 299.8450 81.6256 104.2858 760282.7546 16.9631 16.9864 PRESSURE: 4424000 -36.5292 183.516 28.1208 183.517 99.8033 24.1148 28.1206 24.1159 206.154 GPRESSURE: 4424000 -80.1043 221.349 70.1972 224.847 177.535 57.4145 20.6672 60.1335 257.57 PRESSAVG: 4424000 -26.8947 -85.5337 70.4869 -85.5336 40.2552 37.3573 70.4869 37.3574 3.52589 GPRESSAVG: 4424000 -26.0421 -87.0354 72.8534 -84.7048 39.3936 37.2571 70.386 37.4172 3.88238 TIMING: 4424000 CPU: 14038.8, 0.00316398/step Wall: 14038.8, 0.00316398/step, 0.506237 hours remaining, 242.093750 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: 4424000 3989.8847 20763.8725 14547.2510 250.0423 -203530.5293 2751.9041 0.0000 0.0000 51948.6740 -109278.9006 298.5497 -161227.5746 -108926.2823 299.9016 89.8093 118.3337 759117.9869 5.6288 5.7446 PRESSURE: 4424200 -70.7823 146.597 -107.325 146.597 180.893 116.308 -107.325 116.308 445.806 GPRESSURE: 4424200 26.5186 104.867 -178.025 102.006 251.236 43.4079 5.14885 63.5828 354.151 PRESSAVG: 4424200 14.7191 -15.1132 51.7562 -15.1133 9.09436 7.84491 51.7562 7.84496 30.7876 GPRESSAVG: 4424200 14.3826 -14.0956 50.6364 -19.1345 9.36446 7.59524 52.4181 8.14082 30.851 TIMING: 4424200 CPU: 14039.5, 0.00315982/step Wall: 14039.5, 0.00315982/step, 0.505395 hours remaining, 242.093750 MB of memory in use. ENERGY: 4424200 4016.2181 20518.0204 14463.5441 242.3099 -203126.5269 2211.0340 0.0000 0.0000 52316.1109 -109359.2894 300.6614 -161675.4004 -108996.2174 300.0461 185.3057 210.6352 760250.1384 18.2003 18.1994 LDB: ============= START OF LOAD BALANCING ============== 14051.9 LDB: ============== END OF LOAD BALANCING =============== 14051.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14051.9 LDB: ============= START OF LOAD BALANCING ============== 14052.2 LDB: Largest compute 7078 load 0.035928 is 18.4% of average load 0.195460 LDB: Average compute 0.004403 is 2.3% of average load 0.195460 LDB: TIME 14052.2 LOAD: AVG 0.19546 MAX 0.213754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.98 MB LDB: TIME 14052.2 LOAD: AVG 0.19546 MAX 0.213754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.051 MB LDB: TIME 14052.2 LOAD: AVG 0.19546 MAX 0.213754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 243.051 MB LDB: ============== END OF LOAD BALANCING =============== 14052.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14052.3 PRESSURE: 4424400 -496.885 -32.2538 -106.62 -32.2544 -90.6628 -176.989 -106.621 -176.989 -402.869 GPRESSURE: 4424400 -441.462 -21.9874 -120.829 -28.3794 -136.102 -85.4783 -53.3649 -163.318 -318.003 PRESSAVG: 4424400 30.756 -39.6303 6.75958 -39.6303 -36.5008 57.5777 6.75961 57.5777 -2.25272 GPRESSAVG: 4424400 30.3291 -37.856 5.83066 -38.4691 -37.0707 58.3239 6.56126 59.2049 -1.68284 TIMING: 4424400 CPU: 14040.1, 0.00323277/step Wall: 14040.1, 0.00323276/step, 0.516883 hours remaining, 240.597656 MB of memory in use. ENERGY: 4424400 4072.9156 20720.5470 14424.1953 228.0420 -203317.9986 2472.8828 0.0000 0.0000 52235.7187 -109163.6972 300.1994 -161399.4159 -108812.9578 299.9792 -330.1389 -298.5224 761370.6462 -2.6659 -2.8081 PRESSURE: 4424600 115.613 77.7629 4.56429 77.7629 11.2016 202.924 4.56368 202.924 -69.9088 GPRESSURE: 4424600 132.387 74.1448 -109.763 66.8209 91.5872 209.063 49.0313 173.286 -60.3849 PRESSAVG: 4424600 11.2476 -2.62572 -39.1897 -2.62568 -60.2556 83.4802 -39.1897 83.4802 10.7526 GPRESSAVG: 4424600 11.3432 -2.45101 -39.246 -3.08468 -59.3015 83.0453 -38.5354 83.983 9.93864 TIMING: 4424600 CPU: 14040.8, 0.00316869/step Wall: 14040.8, 0.00316869/step, 0.506462 hours remaining, 240.742188 MB of memory in use. ENERGY: 4424600 4065.4982 20634.6256 14457.4935 243.3702 -203672.0425 2744.1156 0.0000 0.0000 52378.5206 -109148.4187 301.0201 -161526.9393 -108786.6309 300.6834 18.9686 54.5297 760042.9616 -12.7518 -12.6732 PRESSURE: 4424800 164.362 260.178 -35.3595 260.177 -406.714 -208.151 -35.3583 -208.151 -32.3647 GPRESSURE: 4424800 70.033 184.446 -64.8986 234.656 -282.43 -209.244 -47.1059 -277.13 32.0272 PRESSAVG: 4424800 52.6501 -9.27649 -44.1907 -9.27646 -48.486 18.5711 -44.1907 18.571 10.6786 GPRESSAVG: 4424800 52.5786 -10.8913 -44.3292 -7.44283 -47.0679 18.1842 -47.2464 15.0668 9.86779 TIMING: 4424800 CPU: 14041.4, 0.00316956/step Wall: 14041.4, 0.00316956/step, 0.506425 hours remaining, 240.742188 MB of memory in use. ENERGY: 4424800 4089.5157 20506.5519 14509.7390 252.5916 -203268.7328 2439.7302 0.0000 0.0000 52149.6725 -109320.9319 299.7049 -161470.6044 -108956.7124 300.3083 -91.5723 -60.1234 760740.6831 4.9475 5.1262 PRESSURE: 4425000 -468.531 45.378 -50.4563 45.378 -102.563 -217.056 -50.4573 -217.055 -149.401 GPRESSURE: 4425000 -348.631 33.1817 117.651 -19.6777 -113.907 -227.805 -167.468 -342.733 -188.138 PRESSAVG: 4425000 79.4767 -16.5581 -46.7297 -16.5581 -124 -45.3899 -46.7298 -45.3899 4.78717 GPRESSAVG: 4425000 79.0178 -15.657 -45.3953 -18.0591 -124.565 -45.4673 -46.3034 -43.6336 5.6958 TIMING: 4425000 CPU: 14042, 0.003165/step Wall: 14042, 0.003165/step, 0.505522 hours remaining, 240.742188 MB of memory in use. ENERGY: 4425000 4086.5865 20313.6944 14444.8987 258.2799 -202899.6712 2160.8201 0.0000 0.0000 52089.5184 -109545.8731 299.3592 -161635.3915 -109179.5819 299.7942 -240.1652 -216.8920 761861.0765 -13.2452 -13.2840 PRESSURE: 4425200 -49.122 -47.0461 -60.9157 -47.0461 8.15 97.3526 -60.9155 97.3524 219.054 GPRESSURE: 4425200 -13.374 19.5453 -11.9806 -51.6954 -37.9961 121.467 -93.2684 148.517 308.628 PRESSAVG: 4425200 10.1184 -11.2938 -13.4249 -11.2938 -19.2098 68.7379 -13.4248 68.7378 -10.9281 GPRESSAVG: 4425200 11.6118 -12.6027 -14.0887 -10.8012 -20.2801 68.7176 -13.6165 68.7165 -11.3668 TIMING: 4425200 CPU: 14042.7, 0.00316283/step Wall: 14042.7, 0.00316283/step, 0.504999 hours remaining, 240.742188 MB of memory in use. ENERGY: 4425200 3908.1507 20542.8893 14456.5652 254.6930 -203167.7247 2260.8129 0.0000 0.0000 52080.0008 -109664.6128 299.3045 -161744.6135 -109299.4736 298.8840 59.3607 85.7525 761671.8774 -6.6731 -6.6784 PRESSURE: 4425400 106.566 186.982 22.4128 186.983 216.26 193.206 22.4119 193.206 -387.71 GPRESSURE: 4425400 101.184 231.631 -104.644 265.072 296.648 161.904 14.7647 259.31 -391.307 PRESSAVG: 4425400 -1.89243 -1.88189 21.2219 -1.88192 40.3802 52.8284 21.222 52.8283 4.56111 GPRESSAVG: 4425400 -2.60537 -2.3569 20.0476 -0.603468 39.8432 52.3033 23.0556 54.1282 5.32183 TIMING: 4425400 CPU: 14043.3, 0.00316024/step Wall: 14043.3, 0.00316024/step, 0.504409 hours remaining, 240.742188 MB of memory in use. ENERGY: 4425400 3990.2656 20627.6732 14524.7060 239.8987 -203580.1368 2594.3381 0.0000 0.0000 51853.7905 -109749.4646 298.0044 -161603.2552 -109392.2679 298.8718 -21.6280 2.1749 759645.2178 14.3496 14.1865 PRESSURE: 4425600 272.836 67.2129 231.966 67.2124 184.374 -6.09583 231.966 -6.09588 50.0611 GPRESSURE: 4425600 352.825 -48.2366 282.382 24.318 182.689 15.454 349.821 126.325 40.7533 PRESSAVG: 4425600 1.72604 -19.8131 32.804 -19.8132 -10.324 22.9495 32.804 22.9494 -13.0295 GPRESSAVG: 4425600 2.49809 -20.1924 33.1245 -22.0913 -9.10238 23.2045 32.1227 21.7495 -15.3166 TIMING: 4425600 CPU: 14043.9, 0.00319263/step Wall: 14043.9, 0.00319263/step, 0.509402 hours remaining, 240.742188 MB of memory in use. ENERGY: 4425600 3986.1732 20474.4671 14406.0715 232.1976 -203403.2420 2584.3853 0.0000 0.0000 52115.4916 -109604.4557 299.5084 -161719.9473 -109241.4565 299.1818 169.0903 192.0892 761170.0653 -7.2092 -7.3069 PRESSURE: 4425800 113.136 31.5897 -88.3994 31.5895 287.252 71.4105 -88.3984 71.4102 -268.484 GPRESSURE: 4425800 165.02 18.6515 -5.32864 46.622 240.429 65.5267 -165.845 -45.1674 -208.882 PRESSAVG: 4425800 -22.5442 -42.9169 29.746 -42.9169 73.2407 28.5026 29.746 28.5026 -0.789137 GPRESSAVG: 4425800 -22.4645 -42.7949 29.596 -40.766 72.8972 29.3118 31.2651 28.4206 -0.506262 TIMING: 4425800 CPU: 14044.6, 0.0031894/step Wall: 14044.6, 0.0031894/step, 0.508709 hours remaining, 240.742188 MB of memory in use. ENERGY: 4425800 3898.9546 20532.5476 14434.9039 267.4241 -203697.5825 2731.4012 0.0000 0.0000 52090.1623 -109742.1888 299.3629 -161832.3511 -109385.6624 299.3460 43.9678 65.5225 759451.6357 16.6358 16.6421 PRESSURE: 4426000 -26.2432 69.0274 -337.231 69.0272 73.1863 -7.52635 -337.23 -7.52652 329.477 GPRESSURE: 4426000 -27.3452 54.128 -302.2 -38.4959 139.043 41.1285 -280.056 39.5286 358.199 PRESSAVG: 4426000 18.6084 -44.9832 35.6997 -44.9832 38.9433 -18.1236 35.6997 -18.1235 9.63862 GPRESSAVG: 4426000 17.2389 -44.736 36.7274 -45.13 39.36 -19.0355 33.9536 -17.5931 10.3204 TIMING: 4426000 CPU: 14045.2, 0.00317625/step Wall: 14045.2, 0.00317625/step, 0.506435 hours remaining, 240.742188 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: 4426000 3892.5451 20451.2884 14424.6365 260.4628 -203186.1920 2224.0512 0.0000 0.0000 52197.4559 -109735.7521 299.9795 -161933.2080 -109360.7522 299.2267 125.4734 156.6323 758086.4743 22.3967 22.3064 PRESSURE: 4426200 20.7637 180.258 -235.23 180.258 -440.214 107.606 -235.23 107.607 -270.123 GPRESSURE: 4426200 -37.3061 64.1991 -212.817 175.113 -282.741 -3.30153 -289.033 139.348 -282.039 PRESSAVG: 4426200 -16.1935 -31.2506 -1.67855 -31.2505 50.8598 -78.1416 -1.6785 -78.1416 16.5233 GPRESSAVG: 4426200 -15.8175 -31.2401 -2.38891 -30.9418 50.8876 -78.6037 -3.6928 -77.3804 15.9791 TIMING: 4426200 CPU: 14045.8, 0.00316962/step Wall: 14045.8, 0.00316963/step, 0.505203 hours remaining, 240.742188 MB of memory in use. ENERGY: 4426200 3909.5386 20375.5989 14359.4124 237.3241 -203216.2068 2359.0843 0.0000 0.0000 52044.0775 -109931.1710 299.0980 -161975.2485 -109569.0934 298.6819 -229.8576 -200.6952 761258.5279 17.0632 17.0164 PRESSURE: 4426400 30.9204 -335.183 9.29582 -335.183 178.744 -11.5736 9.29606 -11.5746 -8.96282 GPRESSURE: 4426400 86.9552 -212.616 -119.706 -374.994 201.038 -52.3829 -9.6791 -131.687 -10.8021 PRESSAVG: 4426400 -43.5774 -11.1094 -1.65352 -11.1094 80.178 11.6282 -1.65349 11.6282 -16.3581 GPRESSAVG: 4426400 -43.9102 -8.67899 -2.87362 -12.8035 79.6334 12.315 2.03211 9.9963 -15.1974 TIMING: 4426400 CPU: 14046.5, 0.00316328/step Wall: 14046.5, 0.00316328/step, 0.504016 hours remaining, 240.742188 MB of memory in use. ENERGY: 4426400 3958.7673 20378.8002 14453.2898 247.7345 -203638.7888 2644.9636 0.0000 0.0000 51904.9259 -110050.3075 298.2983 -161955.2334 -109700.0569 297.9443 66.9007 92.3970 761351.7757 6.7475 6.8419 PRESSURE: 4426600 -127.168 35.4175 108.314 35.4174 -124.007 -42.697 108.314 -42.6972 108.703 GPRESSURE: 4426600 -16.0604 70.4357 79.9054 32.9906 -147.257 -137.095 -16.0658 0.405065 107.23 PRESSAVG: 4426600 -29.616 -64.6274 -0.161442 -64.6274 42.4072 -5.50989 -0.161394 -5.50991 45.6064 GPRESSAVG: 4426600 -28.7842 -67.912 0.0675663 -62.3145 42.8573 -4.54232 -3.80004 -5.44739 44.4637 TIMING: 4426600 CPU: 14047.1, 0.00314189/step Wall: 14047.1, 0.00314189/step, 0.500433 hours remaining, 240.742188 MB of memory in use. ENERGY: 4426600 4025.6806 20284.6409 14415.2727 234.7004 -203616.7723 2637.0110 0.0000 0.0000 51893.1441 -110126.3225 298.2306 -162019.4666 -109769.6811 297.6905 -47.4905 -18.6956 760152.0183 19.4659 19.5123 PRESSURE: 4426800 484.185 -12.4782 -195.435 -12.4775 -26.7693 130.134 -195.435 130.134 -19.8383 GPRESSURE: 4426800 532.542 49.671 -189.144 -15.2376 92.1007 125.678 -77.222 172.389 -93.2668 PRESSAVG: 4426800 -97.1689 -9.97886 50.934 -9.97888 42.5236 -29.2794 50.934 -29.2794 -4.25915 GPRESSAVG: 4426800 -97.0124 -9.31648 52.1756 -11.6336 42.5659 -29.7173 53.4063 -29.473 -4.80487 TIMING: 4426800 CPU: 14047.7, 0.00315308/step Wall: 14047.7, 0.00315308/step, 0.50204 hours remaining, 240.742188 MB of memory in use. ENERGY: 4426800 4008.4955 20250.2253 14401.3715 256.2279 -203341.8913 2615.1183 0.0000 0.0000 51856.6024 -109953.8503 298.0206 -161810.4527 -109600.0816 298.2838 145.8591 177.1253 759221.8198 -19.6348 -19.7505 PRESSURE: 4427000 -242.647 -146.013 -46.5967 -146.013 -53.2181 139.159 -46.5976 139.159 109.536 GPRESSURE: 4427000 -216.476 -50.6559 -64.9708 -58.9628 -40.7205 132.882 -59.7001 110.023 163.819 PRESSAVG: 4427000 -96.8827 -18.7895 4.28071 -18.7895 83.1257 6.36435 4.2807 6.36439 1.47547 GPRESSAVG: 4427000 -97.513 -19.6057 5.71377 -18.2224 82.9713 7.37351 3.95795 3.48095 2.24808 TIMING: 4427000 CPU: 14048.4, 0.00315196/step Wall: 14048.4, 0.00315196/step, 0.501686 hours remaining, 240.742188 MB of memory in use. ENERGY: 4427000 3984.2524 20446.2658 14452.5213 257.1583 -203213.9292 2427.9069 0.0000 0.0000 51850.8984 -109794.9259 297.9878 -161645.8244 -109440.2039 298.1531 -62.1096 -31.1259 760352.2476 -4.0938 -4.0979 PRESSURE: 4427200 -139.056 -158.01 -20.0511 -158.01 -146.823 -131.576 -20.0511 -131.576 184.231 GPRESSURE: 4427200 -123.254 106.15 -15.9689 -28.3895 -141.713 -210.917 64.2735 -27.7416 252.157 PRESSAVG: 4427200 -11.1376 -24.4977 -6.7791 -24.4977 65.5155 26.1438 -6.7791 26.1437 -9.66415 GPRESSAVG: 4427200 -9.85704 -21.7092 -8.48447 -25.4771 65.1029 24.8447 -7.55372 29.2667 -10.3346 TIMING: 4427200 CPU: 14049, 0.00314461/step Wall: 14049, 0.00314461/step, 0.500342 hours remaining, 240.742188 MB of memory in use. ENERGY: 4427200 3925.3635 20587.0792 14472.3527 242.1712 -203198.4761 2285.6097 0.0000 0.0000 51892.6091 -109793.2906 298.2275 -161685.8997 -109443.3482 298.8826 -33.8826 -4.2700 760215.5779 14.9046 14.9704 PRESSURE: 4427400 118.089 -47.8803 101.009 -47.8806 -46.2891 124.206 101.009 124.206 167.33 GPRESSURE: 4427400 77.8493 -26.7277 182.615 -139.146 62.7116 83.3206 156.092 94.5949 181.301 PRESSAVG: 4427400 -72.1507 -55.6804 -14.4306 -55.6804 69.6161 -20.6224 -14.4307 -20.6224 14.9199 GPRESSAVG: 4427400 -73.3465 -57.2919 -13.8266 -56.6233 69.7929 -19.7593 -15.401 -20.9019 16.1643 TIMING: 4427400 CPU: 14049.6, 0.00316631/step Wall: 14049.6, 0.00316631/step, 0.503619 hours remaining, 240.742188 MB of memory in use. ENERGY: 4427400 3964.3130 20628.8313 14411.8616 232.3594 -203410.3879 2437.8267 0.0000 0.0000 52020.9796 -109714.2163 298.9653 -161735.1960 -109350.5749 298.9955 79.7100 107.2873 759342.0539 4.1284 4.2036 PRESSURE: 4427600 114.768 -35.8362 -340.335 -35.8369 20.6008 77.01 -340.335 77.0097 -225.117 GPRESSURE: 4427600 102.221 -138.51 -240.775 -49.8104 79.1633 238.371 -387.438 33.0005 -196.234 PRESSAVG: 4427600 -25.7233 -42.0028 -3.5479 -42.0028 75.6646 -8.08383 -3.54798 -8.08387 13.7719 GPRESSAVG: 4427600 -25.645 -40.8486 -4.19657 -42.3029 75.7651 -7.26179 -2.23805 -7.53263 13.1674 TIMING: 4427600 CPU: 14050.3, 0.00317834/step Wall: 14050.3, 0.00317834/step, 0.505356 hours remaining, 240.742188 MB of memory in use. ENERGY: 4427600 4006.1324 20664.2204 14480.1027 265.2090 -203524.6573 2450.6532 0.0000 0.0000 51971.7640 -109686.5755 298.6824 -161658.3394 -109324.3036 299.2599 -29.9159 -4.9500 759226.4909 21.2377 21.0958 PRESSURE: 4427800 -246.796 101.056 -95.7265 101.056 415.33 40.1088 -95.7263 40.1087 -478.822 GPRESSURE: 4427800 -115.914 132.109 -137.861 195.598 354.243 -52.7643 -23.9773 120.542 -462.502 PRESSAVG: 4427800 -58.0155 -24.6941 -64.3052 -24.6942 40.652 21.254 -64.3052 21.254 -6.98455 GPRESSAVG: 4427800 -55.7459 -25.2319 -63.8219 -23.6985 39.0588 19.6208 -64.9059 21.8693 -7.32006 TIMING: 4427800 CPU: 14050.9, 0.00316953/step Wall: 14050.9, 0.00316953/step, 0.503779 hours remaining, 240.742188 MB of memory in use. ENERGY: 4427800 4011.7592 20561.3544 14453.5078 240.0679 -203739.5890 2687.4853 0.0000 0.0000 52160.1512 -109625.2631 299.7651 -161785.4143 -109257.3060 299.1803 -103.4297 -74.7243 761555.1957 -8.1160 -8.0024 PRESSURE: 4428000 166.564 -249.647 75.5 -249.647 362.282 25.6182 75.4996 25.618 -13.2262 GPRESSURE: 4428000 202.762 -216.269 126.958 -175.245 348.873 60.6294 50.7402 -135.859 39.3923 PRESSAVG: 4428000 36.2823 -46.1449 9.58651 -46.1449 6.19456 8.18196 9.58652 8.18199 7.1631 GPRESSAVG: 4428000 34.8724 -45.7576 10.0933 -46.1149 6.95757 7.57141 9.8918 7.21491 7.62197 TIMING: 4428000 CPU: 14051.5, 0.00316266/step Wall: 14051.5, 0.00316266/step, 0.502512 hours remaining, 240.742188 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: 4428000 4055.2913 20561.2009 14384.0295 256.5143 -203936.0137 2953.1194 0.0000 0.0000 52379.3829 -109346.4755 301.0250 -161725.8584 -108989.9681 299.3168 171.8734 197.0092 760034.7096 16.5466 16.4840 PRESSURE: 4428200 -52.6489 154.427 13.1488 154.429 -177.561 181.773 13.1494 181.773 -310.503 GPRESSURE: 4428200 -7.36556 112.494 -4.63951 74.1496 -138.752 47.7573 49.9265 22.7263 -309.221 PRESSAVG: 4428200 -15.524 -43.0623 3.39242 -43.0622 -2.03666 -22.4652 3.39242 -22.4651 14.9532 GPRESSAVG: 4428200 -16.1167 -44.1274 2.96391 -42.9432 -0.83461 -20.2098 3.91913 -25.7765 15.0275 TIMING: 4428200 CPU: 14052.2, 0.00317706/step Wall: 14052.2, 0.00317706/step, 0.504623 hours remaining, 240.742188 MB of memory in use. ENERGY: 4428200 4058.3919 20648.2634 14463.1410 235.4508 -203646.1438 2447.9540 0.0000 0.0000 52341.9411 -109451.0017 300.8099 -161792.9428 -109089.8588 299.7724 -180.2377 -151.7795 760308.9909 -0.8692 -0.6413 LDB: ============= START OF LOAD BALANCING ============== 14064.6 LDB: ============== END OF LOAD BALANCING =============== 14064.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14064.6 LDB: ============= START OF LOAD BALANCING ============== 14064.9 LDB: Largest compute 7055 load 0.036318 is 18.6% of average load 0.195495 LDB: Average compute 0.004380 is 2.2% of average load 0.195495 LDB: TIME 14064.9 LOAD: AVG 0.195495 MAX 0.214165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.641 MB LDB: TIME 14064.9 LOAD: AVG 0.195495 MAX 0.214165 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.844 MB LDB: TIME 14064.9 LOAD: AVG 0.195495 MAX 0.214165 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.844 MB LDB: ============== END OF LOAD BALANCING =============== 14064.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14064.9 PRESSURE: 4428400 80.8269 88.5289 120.408 88.5293 286.837 -294.047 120.408 -294.047 -394.917 GPRESSURE: 4428400 186.165 107.124 50.5885 -99.2824 241.477 -181.994 123.556 -313.686 -369.995 PRESSAVG: 4428400 -68.0407 -5.89166 35.8 -5.89169 47.847 -20.1325 35.7999 -20.1324 -19.7477 GPRESSAVG: 4428400 -67.9995 -7.81093 36.9504 -6.24835 47.8656 -20.2334 33.9329 -16.6916 -19.576 TIMING: 4428400 CPU: 14052.8, 0.00323407/step Wall: 14052.8, 0.00323407/step, 0.513498 hours remaining, 238.746094 MB of memory in use. ENERGY: 4428400 3993.7273 20491.2893 14520.5075 253.9096 -203686.8456 2675.2669 0.0000 0.0000 52253.1227 -109499.0223 300.2994 -161752.1449 -109131.9586 299.8379 -9.0842 19.2157 760070.7533 -13.3138 -13.2366 PRESSURE: 4428600 39.6332 -179.78 16.7924 -179.781 98.6381 16.2139 16.7932 16.2135 -85.9917 GPRESSURE: 4428600 89.9137 -124.354 77.5387 -220.014 168.381 -23.8281 -39.1424 75.2436 -130.03 PRESSAVG: 4428600 -14.234 -1.02745 14.9884 -1.02747 2.58208 -8.20166 14.9884 -8.20174 2.30518 GPRESSAVG: 4428600 -12.8946 2.14238 13.7106 -0.0305012 2.43017 -10.304 17.2861 -7.30244 1.11681 TIMING: 4428600 CPU: 14053.4, 0.0031719/step Wall: 14053.4, 0.0031719/step, 0.50345 hours remaining, 238.746094 MB of memory in use. ENERGY: 4428600 3972.7786 20432.2209 14490.3913 260.9058 -203550.2027 2665.4539 0.0000 0.0000 52023.3760 -109705.0763 298.9791 -161728.4523 -109330.3899 299.2661 17.4265 42.7551 761675.8643 -3.1156 -3.1159 PRESSURE: 4428800 -279.178 28.8438 -151.579 28.8436 193.616 -122.542 -151.579 -122.541 -234.964 GPRESSURE: 4428800 -216.377 -8.38329 -61.3351 14.7281 221.25 -98.4989 -186.501 -105.878 -259.739 PRESSAVG: 4428800 -22.1818 14.2294 59.8202 14.2294 52.9953 36.2093 59.8203 36.2093 -7.95859 GPRESSAVG: 4428800 -23.7328 15.1021 61.4645 12.8082 53.4075 37.0832 59.0633 36.4648 -7.20938 TIMING: 4428800 CPU: 14054.1, 0.00318939/step Wall: 14054.1, 0.00318939/step, 0.50605 hours remaining, 238.746094 MB of memory in use. ENERGY: 4428800 3910.4545 20381.4027 14476.7708 227.8173 -203203.3007 2356.9811 0.0000 0.0000 52105.4922 -109744.3821 299.4510 -161849.8743 -109378.5767 298.3031 -106.8423 -84.9554 760482.6427 7.6183 7.4884 PRESSURE: 4429000 -104.219 -141.544 70.1846 -141.543 -66.673 42.7898 70.1841 42.7905 185.016 GPRESSURE: 4429000 -104.402 -54.1664 136.813 -173.867 -54.3498 58.7296 -27.5278 20.8173 243.531 PRESSAVG: 4429000 -58.3979 -0.142568 14.1976 -0.142519 63.2577 -0.675236 14.1976 -0.675272 -10.6541 GPRESSAVG: 4429000 -57.2962 -0.489035 12.8896 -1.07349 62.0345 -1.859 13.8741 -2.12474 -10.367 TIMING: 4429000 CPU: 14054.7, 0.003178/step Wall: 14054.7, 0.003178/step, 0.504066 hours remaining, 238.746094 MB of memory in use. ENERGY: 4429000 3986.2683 20528.2658 14429.7313 241.0642 -203324.2852 2263.2177 0.0000 0.0000 52254.5258 -109621.2121 300.3075 -161875.7379 -109254.6526 299.4271 4.7082 28.2594 759464.5026 -1.9314 -1.8762 PRESSURE: 4429200 -32.0421 -37.9982 68.3613 -37.9974 -48.6568 87.7296 68.3612 87.7303 -136.548 GPRESSURE: 4429200 -12.3583 -17.2007 119.303 -6.07459 1.65102 63.5611 96.3492 -70.6016 -104.92 PRESSAVG: 4429200 -101.204 -0.0247201 22.8743 -0.0247385 105.049 -17.4444 22.8743 -17.4445 26.4662 GPRESSAVG: 4429200 -103.316 0.109238 23.0469 0.969028 106.7 -16.5093 21.7209 -17.4566 27.4112 TIMING: 4429200 CPU: 14055.3, 0.00317233/step Wall: 14055.3, 0.00317233/step, 0.502991 hours remaining, 238.746094 MB of memory in use. ENERGY: 4429200 3965.0416 20296.5986 14417.1773 242.8701 -203159.6542 2631.2112 0.0000 0.0000 52023.4165 -109583.3388 298.9793 -161606.7553 -109219.0540 299.0237 -72.4155 -38.5424 762395.1528 10.1036 10.2649 PRESSURE: 4429400 -224.022 -175.608 138.073 -175.608 369.893 -107.52 138.073 -107.52 463.607 GPRESSURE: 4429400 -163.666 -188.081 134.226 -156.521 397.663 -137.033 160.762 -98.2562 484.368 PRESSAVG: 4429400 -30.132 -25.5388 27.5128 -25.5387 54.2792 3.17783 27.5128 3.17791 14.7644 GPRESSAVG: 4429400 -28.6217 -26.6645 25.8024 -25.2088 53.3529 4.23118 30.0811 3.64187 14.1368 TIMING: 4429400 CPU: 14056, 0.00318727/step Wall: 14056, 0.00318727/step, 0.505183 hours remaining, 238.746094 MB of memory in use. ENERGY: 4429400 3934.5205 20406.4559 14405.8966 256.7465 -203281.9837 2637.7230 0.0000 0.0000 52137.4304 -109503.2108 299.6345 -161640.6412 -109135.6730 298.7651 203.1595 239.4550 760865.6696 12.9706 12.9560 PRESSURE: 4429600 -370.321 94.1577 -67.6035 94.1584 41.853 154.853 -67.6036 154.853 155.527 GPRESSURE: 4429600 -306.392 157.654 -87.7349 96.9757 130.451 97.3749 128.894 128.499 92.2261 PRESSAVG: 4429600 -31.6229 -7.31914 15.3885 -7.31916 27.6628 32.984 15.3886 32.9841 -1.46176 GPRESSAVG: 4429600 -32.1655 -6.64031 16.1581 -5.9988 28.6439 32.0669 13.6607 32.6687 -2.01193 TIMING: 4429600 CPU: 14056.6, 0.00316065/step Wall: 14056.6, 0.00316065/step, 0.500787 hours remaining, 238.746094 MB of memory in use. ENERGY: 4429600 4003.5757 20407.8996 14462.5924 255.2729 -203328.9906 2610.4992 0.0000 0.0000 52110.9960 -109478.1547 299.4826 -161589.1507 -109126.6826 299.4590 -57.6469 -27.9048 758817.4432 -1.8073 -1.8445 PRESSURE: 4429800 63.1099 128.683 148.391 128.684 152.126 161.739 148.391 161.738 150.036 GPRESSURE: 4429800 102.015 19.4546 139.358 34.0039 141.578 124.053 132.086 152.18 216.817 PRESSAVG: 4429800 -18.9668 -6.10098 -49.6173 -6.10097 40.9698 -11.9031 -49.6174 -11.9031 -3.91619 GPRESSAVG: 4429800 -19.0881 -6.99915 -49.6492 -9.33502 40.8136 -11.4869 -48.437 -13.2737 -3.94485 TIMING: 4429800 CPU: 14057.2, 0.00317305/step Wall: 14057.2, 0.00317305/step, 0.502576 hours remaining, 238.746094 MB of memory in use. ENERGY: 4429800 3947.4831 20477.5679 14555.4043 260.6150 -203684.1147 2766.4126 0.0000 0.0000 52365.9172 -109310.7147 300.9476 -161676.6319 -108941.3238 300.4725 121.7573 153.4701 760168.9295 6.0289 5.9269 PRESSURE: 4430000 130.4 45.8917 73.7895 45.8914 159.303 6.29825 73.7889 6.29732 -46.7929 GPRESSURE: 4430000 208.264 -63.1913 36.6908 95.4715 156.02 49.8714 52.1596 26.1828 -46.1385 PRESSAVG: 4430000 -38.5485 11.6691 53.9913 11.6692 44.5785 3.66151 53.9913 3.66148 -21.6789 GPRESSAVG: 4430000 -38.6203 11.8445 54.9125 11.5453 44.6313 3.49985 52.9392 3.59985 -21.5954 TIMING: 4430000 CPU: 14057.9, 0.00316878/step Wall: 14057.9, 0.00316878/step, 0.501723 hours remaining, 238.746094 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 3991.9959 20600.8054 14504.1369 251.9533 -203481.7242 2556.0289 0.0000 0.0000 52484.3709 -109092.4330 301.6284 -161576.8039 -108739.7063 300.3731 80.9700 106.0487 758820.2473 -5.2163 -5.1948 PRESSURE: 4430200 -254.924 -45.8153 145.618 -45.8147 -133.038 223.211 145.618 223.21 -252.609 GPRESSURE: 4430200 -218.403 -89.1279 119.252 77.2308 -10.3765 178.877 157.682 246.346 -352.255 PRESSAVG: 4430200 -14.2897 0.817839 52.0749 0.81786 24.9326 10.0782 52.0749 10.0783 19.1512 GPRESSAVG: 4430200 -14.5366 0.766048 50.6694 2.77737 23.8989 10.5486 52.0261 12.6252 19.833 TIMING: 4430200 CPU: 14058.5, 0.00315139/step Wall: 14058.5, 0.00315139/step, 0.498795 hours remaining, 238.746094 MB of memory in use. ENERGY: 4430200 4094.8275 20658.7206 14473.2700 256.8040 -203435.8835 2593.5219 0.0000 0.0000 52276.5610 -109082.1784 300.4341 -161358.7394 -108712.7034 300.6994 -213.5235 -193.6780 762210.5736 9.9314 9.7318 PRESSURE: 4430400 204.7 -36.2463 26.0442 -36.2463 248.788 -34.3461 26.0446 -34.345 -505.323 GPRESSURE: 4430400 280.504 -4.71731 56.8272 -45.0288 222.868 -11.5076 -43.4085 -67.9602 -459.389 PRESSAVG: 4430400 27.0739 -6.73188 -2.09453 -6.73191 -7.98198 5.69596 -2.09457 5.69591 2.72258 GPRESSAVG: 4430400 26.9078 -5.38551 -1.33497 -7.72715 -7.35381 5.12323 -3.12228 6.49317 2.63349 TIMING: 4430400 CPU: 14059.1, 0.00315036/step Wall: 14059.1, 0.00315036/step, 0.498457 hours remaining, 238.746094 MB of memory in use. ENERGY: 4430400 4093.5672 20678.1142 14575.7872 245.1946 -203604.0165 2701.5491 0.0000 0.0000 52131.8687 -109177.9357 299.6026 -161309.8044 -108813.4774 300.6671 -17.2783 14.6609 759967.5792 7.2715 7.3958 PRESSURE: 4430600 38.27 126.818 102.422 126.817 566.763 -220.817 102.421 -220.817 81.9583 GPRESSURE: 4430600 165.313 18.8165 147.17 2.8706 483.064 -253.289 117.083 -100.543 129.07 PRESSAVG: 4430600 -19.1247 -33.8249 -2.14974 -33.8249 7.26687 83.6331 -2.14978 83.6331 -8.7445 GPRESSAVG: 4430600 -19.7118 -35.7211 -2.16376 -32.2477 7.73331 83.5069 -0.65963 82.7703 -8.43134 TIMING: 4430600 CPU: 14059.8, 0.00315489/step Wall: 14059.8, 0.00315489/step, 0.498999 hours remaining, 238.746094 MB of memory in use. ENERGY: 4430600 4006.0276 20589.7869 14579.1373 254.7579 -203645.0711 2708.4311 0.0000 0.0000 52305.9032 -109201.0271 300.6027 -161506.9304 -108832.8027 300.2103 228.9971 259.1490 759519.0387 -6.8674 -6.8033 PRESSURE: 4430800 81.8237 73.1177 -94.3886 73.1183 59.2249 171.706 -94.3882 171.706 -89.2629 GPRESSURE: 4430800 84.1691 60.0171 -19.2587 58.1769 72.4665 170.766 -95.1693 208.769 -29.7182 PRESSAVG: 4430800 4.68817 -72.5139 -14.1524 -72.514 3.20647 8.46208 -14.1525 8.46209 -5.33166 GPRESSAVG: 4430800 5.43955 -70.1655 -15.6128 -74.6685 3.98619 9.22436 -13.6053 7.48809 -6.9728 TIMING: 4430800 CPU: 14060.4, 0.0031763/step Wall: 14060.4, 0.0031763/step, 0.502208 hours remaining, 238.746094 MB of memory in use. ENERGY: 4430800 3916.3754 20572.9234 14521.5393 258.6422 -203750.1866 2573.2566 0.0000 0.0000 52442.6683 -109464.7814 301.3887 -161907.4497 -109108.8309 300.3265 17.2619 42.3058 758490.7840 0.8543 0.8176 PRESSURE: 4431000 -34.3078 -32.5467 -26.5006 -32.5469 242.376 165.531 -26.5004 165.531 80.7638 GPRESSURE: 4431000 -17.1662 -1.92548 -68.6886 -27.9174 290.773 75.3068 -40.2908 162.678 118.637 PRESSAVG: 4431000 -54.4484 30.21 -22.0124 30.21 77.6026 52.7665 -22.0124 52.7665 12.4868 GPRESSAVG: 4431000 -54.1343 28.4422 -21.8587 30.8154 76.5929 50.6661 -22.7835 52.9322 13.5424 TIMING: 4431000 CPU: 14061, 0.00316585/step Wall: 14061, 0.00316585/step, 0.50038 hours remaining, 238.746094 MB of memory in use. ENERGY: 4431000 3830.8797 20597.6986 14587.5174 254.4322 -203492.9466 2425.6662 0.0000 0.0000 52362.7181 -109434.0344 300.9293 -161796.7525 -109064.9248 299.8434 96.2774 130.7479 758228.0839 11.8803 12.0003 PRESSURE: 4431200 321.927 154.341 -160.54 154.341 40.7707 177.503 -160.54 177.502 329.514 GPRESSURE: 4431200 419.444 199.899 -106.627 67.7799 29.6802 223.044 -141.489 196.289 323.872 PRESSAVG: 4431200 -21.2441 -40.6449 64.6482 -40.6449 34.9571 6.15795 64.6482 6.15797 6.32916 GPRESSAVG: 4431200 -20.8715 -39.5608 66.6489 -38.8413 34.6823 8.13244 65.8498 6.01445 6.13633 TIMING: 4431200 CPU: 14061.7, 0.00315701/step Wall: 14061.7, 0.00315701/step, 0.498808 hours remaining, 238.746094 MB of memory in use. ENERGY: 4431200 4009.9611 20446.6980 14527.4699 253.0191 -203758.0046 2810.2141 0.0000 0.0000 52275.1386 -109435.5039 300.4259 -161710.6424 -109066.0857 299.9461 230.7373 257.6653 758449.6565 6.6807 6.6491 PRESSURE: 4431400 280.666 29.9892 40.455 29.9893 322.35 -193.903 40.4553 -193.903 333.48 GPRESSURE: 4431400 285.303 -35.1144 81.4094 145.44 302.706 -111.286 41.0901 -210.526 410.56 PRESSAVG: 4431400 -2.26198 -35.4114 26.1469 -35.4113 28.015 -20.0778 26.1469 -20.0778 14.2954 GPRESSAVG: 4431400 -2.48784 -36.5611 25.2384 -35.306 27.5084 -20.9457 23.1178 -19.8933 14.5535 TIMING: 4431400 CPU: 14062.3, 0.00314088/step Wall: 14062.3, 0.00314088/step, 0.496085 hours remaining, 238.746094 MB of memory in use. ENERGY: 4431400 4007.2697 20385.2703 14537.3145 243.9968 -203761.2949 2625.4902 0.0000 0.0000 52395.6815 -109566.2719 301.1187 -161961.9534 -109206.0820 300.0021 312.1655 332.8563 758606.1502 13.3495 13.1914 PRESSURE: 4431600 76.3011 -20.2641 175.787 -20.2635 -412.412 -176.501 175.787 -176.501 38.4527 GPRESSURE: 4431600 21.1874 -104.286 147.608 -6.70011 -281.346 -196.131 201.652 -290.933 57.3627 PRESSAVG: 4431600 11.7305 -5.04062 56.5533 -5.04057 -48.8556 20.108 56.5532 20.1079 10.7313 GPRESSAVG: 4431600 11.1935 -5.82032 56.5033 -5.05197 -46.4451 20.0558 58.5797 18.7523 8.87942 TIMING: 4431600 CPU: 14062.9, 0.00313122/step Wall: 14062.9, 0.00313122/step, 0.494385 hours remaining, 238.746094 MB of memory in use. ENERGY: 4431600 3957.7499 20698.8642 14489.8307 235.3074 -203686.3747 2662.7589 0.0000 0.0000 52046.5413 -109595.3223 299.1122 -161641.8636 -109225.4873 299.4027 -99.2193 -67.5986 760727.4239 -8.7979 -8.7907 PRESSURE: 4431800 518.538 -19.314 -18.3772 -19.3142 119.482 -171.26 -18.3769 -171.259 372.353 GPRESSURE: 4431800 541.697 -29.3655 -38.1922 32.8555 185.13 -173.578 -133.52 -100.607 363.487 PRESSAVG: 4431800 -52.1138 -21.5145 -11.8293 -21.5144 76.8096 27.4636 -11.8292 27.4636 3.46206 GPRESSAVG: 4431800 -50.2264 -19.7963 -11.0208 -23.2524 73.5389 27.2477 -12.7288 28.0725 5.23038 TIMING: 4431800 CPU: 14063.6, 0.00314134/step Wall: 14063.6, 0.00314134/step, 0.495808 hours remaining, 238.746094 MB of memory in use. ENERGY: 4431800 4055.3113 20558.7911 14594.9251 244.9983 -203780.6549 2834.0570 0.0000 0.0000 52085.4029 -109407.1691 299.3355 -161492.5720 -109041.0920 299.0911 336.7910 363.4382 760196.0504 9.3860 9.5143 PRESSURE: 4432000 -227.074 -44.8927 34.1542 -44.8929 8.32598 -27.4952 34.1535 -27.4956 -31.3815 GPRESSURE: 4432000 -131.44 -40.7741 46.9477 -8.93387 -70.07 74.164 41.6537 -35.2209 28.544 PRESSAVG: 4432000 41.541 -16.1091 -9.1204 -16.1091 -38.5851 11.4454 -9.12037 11.4454 -3.88169 GPRESSAVG: 4432000 40.636 -15.8498 -8.25345 -14.7041 -37.2523 11.7367 -8.33843 11.3529 -3.58545 TIMING: 4432000 CPU: 14064.2, 0.0031655/step Wall: 14064.2, 0.0031655/step, 0.499445 hours remaining, 238.746094 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: 4432000 3935.7364 20575.2561 14565.0811 253.5479 -202988.4031 2084.2789 0.0000 0.0000 52465.3915 -109109.1113 301.5193 -161574.5028 -108738.6085 299.8381 -83.3764 -57.6554 760515.4150 -0.3086 -0.0673 PRESSURE: 4432200 -236.164 -229.584 -38.7954 -229.584 -457.974 -76.163 -38.7946 -76.1618 -139.759 GPRESSURE: 4432200 -267.733 -112.308 -67.9581 -187.209 -317.259 40.7509 -33.8877 -128.588 -171.158 PRESSAVG: 4432200 34.3029 5.44069 9.46782 5.44061 -45.5054 -9.76349 9.46785 -9.76352 -22.2669 GPRESSAVG: 4432200 35.0602 4.87662 7.17547 4.96707 -45.4618 -9.52742 10.7348 -8.66629 -22.4768 TIMING: 4432200 CPU: 14064.8, 0.00316459/step Wall: 14064.8, 0.00316459/step, 0.499126 hours remaining, 238.746094 MB of memory in use. ENERGY: 4432200 4016.5514 20611.1908 14468.9012 242.3144 -203446.6467 2518.1467 0.0000 0.0000 52159.6389 -109429.9033 299.7622 -161589.5422 -109056.3427 300.6072 -277.9658 -252.0500 761052.0582 -11.1565 -10.9595 LDB: ============= START OF LOAD BALANCING ============== 14077.3 LDB: ============== END OF LOAD BALANCING =============== 14077.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14077.3 LDB: ============= START OF LOAD BALANCING ============== 14077.6 LDB: Largest compute 7059 load 0.033520 is 17.1% of average load 0.195567 LDB: Average compute 0.004360 is 2.2% of average load 0.195567 LDB: TIME 14077.6 LOAD: AVG 0.195567 MAX 0.216425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.57 MB LDB: TIME 14077.6 LOAD: AVG 0.195567 MAX 0.216425 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.605 MB LDB: TIME 14077.6 LOAD: AVG 0.195567 MAX 0.216425 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.605 MB LDB: ============== END OF LOAD BALANCING =============== 14077.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14077.6 PRESSURE: 4432400 -118.521 -99.5179 -6.09526 -99.5181 -383.118 -101.747 -6.09517 -101.747 -22.5425 GPRESSURE: 4432400 -188.096 -85.9109 116.183 -79.4675 -197.805 -63.6078 -13.355 26.8814 -67.2617 PRESSAVG: 4432400 19.6196 -17.5478 32.9953 -17.5478 -37.2967 -40.0826 32.9953 -40.0826 0.794642 GPRESSAVG: 4432400 19.4077 -20.201 34.6969 -15.2152 -36.4197 -39.3708 31.4004 -40.5751 -0.112594 TIMING: 4432400 CPU: 14065.5, 0.00320063/step Wall: 14065.5, 0.00320063/step, 0.504633 hours remaining, 240.800781 MB of memory in use. ENERGY: 4432400 3900.2257 20480.5935 14451.6047 242.1402 -203066.2871 2303.9177 0.0000 0.0000 52172.0390 -109515.7664 299.8334 -161687.8054 -109148.4906 299.7420 -174.7269 -151.0542 760673.3302 -5.6275 -5.7082 PRESSURE: 4432600 85.195 -22.7295 -204.105 -22.7282 31.2882 56.749 -204.105 56.75 -225.183 GPRESSURE: 4432600 88.4339 63.2067 -176.283 -68.7252 143.197 49.6751 -244.471 37.6237 -264.292 PRESSAVG: 4432600 13.988 -1.92508 -16.8634 -1.92511 -43.1683 16.0069 -16.8635 16.0068 -3.31183 GPRESSAVG: 4432600 12.2814 0.243278 -18.5403 -4.81461 -42.2542 14.4975 -16.8514 18.8658 -3.09696 TIMING: 4432600 CPU: 14066.1, 0.00317208/step Wall: 14066.1, 0.00317208/step, 0.499955 hours remaining, 241.003906 MB of memory in use. ENERGY: 4432600 4034.3068 20602.6248 14613.8919 244.9540 -203340.4295 2526.6457 0.0000 0.0000 51746.8681 -109571.1382 297.3900 -161318.0063 -109215.2906 299.4777 -36.2332 -10.8868 760057.6774 -10.8307 -11.0233 PRESSURE: 4432800 -41.2485 173.006 -218.706 173.007 0.0447196 349.777 -218.706 349.777 137.134 GPRESSURE: 4432800 -51.2169 117.981 -295.245 59.9446 -41.1212 389.798 -85.4914 237.983 268.565 PRESSAVG: 4432800 44.3741 -1.63751 -9.52482 -1.6375 -69.9798 28.0605 -9.52486 28.0606 -13.4158 GPRESSAVG: 4432800 44.307 -2.07648 -8.06788 -1.70214 -71.1463 29.7689 -10.8409 25.2171 -11.5556 TIMING: 4432800 CPU: 14066.7, 0.00315946/step Wall: 14066.7, 0.00315946/step, 0.497791 hours remaining, 241.003906 MB of memory in use. ENERGY: 4432800 3968.4404 20581.5759 14537.7033 231.0240 -203497.0336 2541.9897 0.0000 0.0000 51938.9831 -109697.3173 298.4940 -161636.3004 -109332.6736 298.4248 31.9767 58.7424 760713.1907 -13.0072 -12.7983 PRESSURE: 4433000 223.731 -125.537 -205.397 -125.537 70.0785 -109.184 -205.396 -109.184 284.975 GPRESSURE: 4433000 253.45 -104.259 -142.327 -220.983 45.0595 -200.028 -143.157 67.5426 351.386 PRESSAVG: 4433000 45.4423 -26.3544 -50.7976 -26.3545 -47.0513 20.1059 -50.7976 20.1058 18.0782 GPRESSAVG: 4433000 45.8923 -27.6518 -49.7191 -24.9825 -46.6367 17.4261 -50.0365 22.2653 17.6507 TIMING: 4433000 CPU: 14067.4, 0.00317425/step Wall: 14067.4, 0.00317424/step, 0.499944 hours remaining, 241.003906 MB of memory in use. ENERGY: 4433000 3961.7089 20397.3715 14536.5201 259.8307 -203532.3073 2712.0994 0.0000 0.0000 51790.9259 -109873.8507 297.6432 -161664.7766 -109519.6515 299.0302 192.9282 216.6318 761600.1140 5.4897 5.6354 PRESSURE: 4433200 -250.275 -81.2091 -226.364 -81.2102 -145.748 83.7431 -226.365 83.7436 -304.46 GPRESSURE: 4433200 -220.169 8.07501 -289.288 -178.356 -96.4605 237.588 -88.8664 -86.3156 -304.799 PRESSAVG: 4433200 41.8289 -58.5887 -19.4623 -58.5887 -57.0483 -18.5209 -19.4623 -18.5208 2.2096 GPRESSAVG: 4433200 42.958 -56.1907 -21.3657 -61.4512 -57.3199 -16.9819 -17.833 -21.4667 1.3833 TIMING: 4433200 CPU: 14068, 0.00316409/step Wall: 14068, 0.00316409/step, 0.498169 hours remaining, 241.003906 MB of memory in use. ENERGY: 4433200 4061.7484 20547.7487 14540.7708 240.4266 -203355.7646 2235.2932 0.0000 0.0000 51913.9818 -109815.7951 298.3504 -161729.7769 -109459.4976 298.3506 -233.4941 -207.1428 761415.7827 -4.3366 -4.3262 PRESSURE: 4433400 -34.1609 51.1965 137.605 51.1968 -648.241 151.071 137.606 151.072 -299.328 GPRESSURE: 4433400 5.14564 26.0376 102.446 -69.0899 -545.951 55.5398 23.5008 186.52 -332.391 PRESSAVG: 4433400 74.9016 -48.0592 -6.39259 -48.0592 -66.6568 -21.751 -6.39258 -21.7512 -10.7153 GPRESSAVG: 4433400 75.6166 -48.2103 -6.60462 -48.8315 -65.3892 -21.9753 -6.14105 -19.9421 -12.3239 TIMING: 4433400 CPU: 14068.6, 0.00316105/step Wall: 14068.6, 0.00316105/step, 0.497515 hours remaining, 241.003906 MB of memory in use. ENERGY: 4433400 3990.0524 20597.2105 14538.6376 253.7894 -203622.0486 2576.5809 0.0000 0.0000 52062.2481 -109603.5296 299.2025 -161665.7778 -109250.4209 299.1226 -327.2431 -291.0656 759729.3751 -0.8235 -0.6988 PRESSURE: 4433600 131.114 -208.723 -11.2886 -208.722 -94.8293 -112.381 -11.2884 -112.383 138.3 GPRESSURE: 4433600 178.935 -213.255 -39.8601 -233.459 -123.054 -216.427 -26.6093 -55.4348 186.794 PRESSAVG: 4433600 16.646 -48.2316 9.06841 -48.2316 -45.802 4.25521 9.06842 4.25518 -8.80393 GPRESSAVG: 4433600 15.364 -49.1755 9.39553 -45.8477 -46.7872 4.51574 7.78127 5.69491 -6.36159 TIMING: 4433600 CPU: 14069.3, 0.00315757/step Wall: 14069.3, 0.00315757/step, 0.496791 hours remaining, 241.003906 MB of memory in use. ENERGY: 4433600 3984.7744 20532.2489 14550.9115 264.3341 -203058.3715 2119.5494 0.0000 0.0000 51986.2382 -109620.3150 298.7656 -161606.5532 -109264.2644 299.2217 58.1952 80.8916 761259.7168 -12.6533 -12.5949 PRESSURE: 4433800 259.087 -71.9774 238.749 -71.978 -109.267 16.8045 238.749 16.8018 -71.2632 GPRESSURE: 4433800 197.13 -187.514 267.165 9.94234 -26.7754 -6.58314 159.294 74.7345 -4.37402 PRESSAVG: 4433800 -6.31687 -57.4798 4.70107 -57.4798 -15.0879 34.3452 4.70115 34.3452 15.7825 GPRESSAVG: 4433800 -5.02183 -55.384 5.03614 -58.5309 -15.3168 34.9245 4.88951 30.3082 14.9703 TIMING: 4433800 CPU: 14069.9, 0.00317607/step Wall: 14069.9, 0.00317607/step, 0.499526 hours remaining, 241.003906 MB of memory in use. ENERGY: 4433800 3924.0646 20549.5450 14404.5013 272.4494 -203263.2435 2328.2659 0.0000 0.0000 52246.3431 -109538.0742 300.2605 -161784.4173 -109177.1667 298.6067 26.1856 55.3268 759288.4598 -1.8741 -1.7894 PRESSURE: 4434000 -361.682 15.5289 127.965 15.5284 -64.9555 -124.698 127.964 -124.698 -125.466 GPRESSURE: 4434000 -304.014 -68.5787 134.914 101.188 -66.3789 -137.081 -16.6921 -151.471 -119.947 PRESSAVG: 4434000 -28.5471 -12.2166 -22.2404 -12.2166 -20.949 6.37384 -22.2403 6.37376 -1.7704 GPRESSAVG: 4434000 -28.8708 -13.5541 -23.7673 -12.1872 -20.663 4.81633 -21.5117 9.91844 -1.71881 TIMING: 4434000 CPU: 14070.5, 0.00316379/step Wall: 14070.5, 0.00316379/step, 0.497417 hours remaining, 241.003906 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: 4434000 3997.1220 20492.4285 14463.4133 242.9242 -203458.2196 2667.1985 0.0000 0.0000 51938.2041 -109656.9291 298.4896 -161595.1332 -109289.9442 299.0641 -184.0346 -163.4466 761604.2051 -17.0888 -17.0842 PRESSURE: 4434200 -172.341 351.892 -103.595 351.892 0.980841 -8.32568 -103.595 -8.3265 397.78 GPRESSURE: 4434200 -184.2 205.049 -111.892 204.804 40.5557 -20.0044 -91.1156 49.4388 464.02 PRESSAVG: 4434200 35.5941 -29.0156 -15.6665 -29.0155 17.0684 19.9726 -15.6665 19.9725 -14.7166 GPRESSAVG: 4434200 34.4402 -30.0876 -15.0314 -28.8248 16.6559 21.4556 -16.1353 18.0117 -13.5933 TIMING: 4434200 CPU: 14071.2, 0.00318376/step Wall: 14071.2, 0.00318376/step, 0.500381 hours remaining, 241.003906 MB of memory in use. ENERGY: 4434200 4002.0183 20462.0074 14570.1679 259.5417 -203674.2165 2679.7928 0.0000 0.0000 52143.0919 -109557.5965 299.6671 -161700.6884 -109191.9297 299.2644 75.4730 106.7921 759941.9570 12.6486 12.5009 PRESSURE: 4434400 -143.967 -95.1786 164.44 -95.1794 202.776 -221.157 164.439 -221.157 144.421 GPRESSURE: 4434400 -163.718 -106.145 143.576 -116.53 319.241 -175.609 52.8079 -265.996 121.006 PRESSAVG: 4434400 -6.7872 -46.5692 -30.2995 -46.5692 38.7518 3.28251 -30.2994 3.2824 -0.904859 GPRESSAVG: 4434400 -5.95411 -44.3282 -31.5962 -45.731 38.7725 2.29094 -31.3025 4.99137 -2.69983 TIMING: 4434400 CPU: 14071.8, 0.00316926/step Wall: 14071.8, 0.00316926/step, 0.497927 hours remaining, 241.003906 MB of memory in use. ENERGY: 4434400 3945.9975 20409.1153 14531.9005 251.8977 -203840.7436 2818.8149 0.0000 0.0000 52193.7774 -109689.2403 299.9584 -161883.0177 -109328.4746 299.1916 67.7435 92.1764 759082.7045 10.3532 10.0395 PRESSURE: 4434600 -117.583 -94.2904 -9.52096 -94.2903 -173.085 -168.486 -9.52092 -168.487 59.1238 GPRESSURE: 4434600 -102.195 -103.533 -19.7981 -61.3628 -108.368 -76.8216 39.2935 -191.343 53.279 PRESSAVG: 4434600 -9.73167 -18.2027 25.7072 -18.2027 -4.27675 29.9309 25.7072 29.9308 17.7048 GPRESSAVG: 4434600 -10.0395 -20.2082 27.3547 -18.5425 -3.27762 30.1458 27.3089 26.3154 17.3981 TIMING: 4434600 CPU: 14072.4, 0.00316194/step Wall: 14072.4, 0.00316194/step, 0.496601 hours remaining, 241.003906 MB of memory in use. ENERGY: 4434600 3984.6522 20388.9877 14511.4407 247.2475 -203372.0392 2272.4781 0.0000 0.0000 52178.3117 -109788.9214 299.8695 -161967.2330 -109415.8713 298.6849 -77.1816 -52.4278 760304.5329 1.2321 1.3603 PRESSURE: 4434800 -212.303 -228.158 18.6956 -228.157 13.2585 -54.8977 18.6958 -54.8977 -74.6336 GPRESSURE: 4434800 -196.792 -119.44 3.16999 -297.39 27.4415 -40.7321 -14.3707 -93.9084 -3.57899 PRESSAVG: 4434800 -23.8878 -45.7388 -12.3311 -45.7388 44.5455 42.3401 -12.3311 42.3401 15.5826 GPRESSAVG: 4434800 -23.8069 -43.0918 -10.5787 -46.1559 42.8743 41.9041 -13.1568 44.5824 17.6089 TIMING: 4434800 CPU: 14073.1, 0.0031756/step Wall: 14073.1, 0.0031756/step, 0.49857 hours remaining, 241.003906 MB of memory in use. ENERGY: 4434800 3956.3755 20575.6623 14486.4474 258.1266 -203313.6269 2363.8545 0.0000 0.0000 51979.7203 -109693.4402 298.7282 -161673.1605 -109336.2622 298.5824 -91.2260 -57.6432 759634.6631 12.0801 12.2255 PRESSURE: 4435000 -335.563 -93.604 139.202 -93.6048 -140.524 216.684 139.202 216.684 99.3672 GPRESSURE: 4435000 -268.894 -65.0766 244.359 -42.4644 -59.9936 198.809 186.103 189.123 53.9988 PRESSAVG: 4435000 1.19895 -38.5443 11.1621 -38.5443 -25.6493 34.3264 11.1621 34.3263 24.5942 GPRESSAVG: 4435000 1.34738 -41.7691 8.62382 -37.5977 -23.4704 33.8728 11.4636 35.5883 22.0813 TIMING: 4435000 CPU: 14073.7, 0.00316626/step Wall: 14073.7, 0.00316626/step, 0.496928 hours remaining, 241.003906 MB of memory in use. ENERGY: 4435000 4011.4813 20622.8538 14470.6752 253.7851 -203311.1832 2401.8777 0.0000 0.0000 51836.3142 -109714.1958 297.9040 -161550.5101 -109358.1143 299.3559 -125.5731 -91.6296 760483.0900 0.0480 -0.0139 PRESSURE: 4435200 -281.745 92.0878 -303.944 92.0878 142.138 151.826 -303.944 151.825 -244.718 GPRESSURE: 4435200 -285.868 74.9808 -299.549 55.696 159.312 183.878 -266.5 90.0801 -177.025 PRESSAVG: 4435200 -2.00824 -68.6802 -25.6777 -68.6803 22.6722 12.9786 -25.6778 12.9785 -10.2941 GPRESSAVG: 4435200 -3.80993 -68.4898 -25.6042 -68.3593 21.1364 13.0045 -22.6743 13.7594 -6.69011 TIMING: 4435200 CPU: 14074.3, 0.00315609/step Wall: 14074.3, 0.00315609/step, 0.495155 hours remaining, 241.003906 MB of memory in use. ENERGY: 4435200 4037.8770 20443.3077 14461.2483 248.2878 -203642.0090 2796.0449 0.0000 0.0000 51956.8528 -109698.3906 298.5967 -161655.2434 -109343.3118 299.1845 -128.1085 -101.1937 760202.9501 3.4566 3.5455 PRESSURE: 4435400 -102.569 -97.6403 -111.421 -97.6404 -145.569 22.1426 -111.421 22.1436 13.5039 GPRESSURE: 4435400 33.2576 -112.04 -51.7708 -123.144 -237.076 -65.2745 -181.524 21.9053 68.8264 PRESSAVG: 4435400 30.0378 -28.8914 13.5562 -28.8914 -55.5352 -39.4323 13.5562 -39.4323 6.95982 GPRESSAVG: 4435400 32.6564 -27.4494 15.5528 -26.903 -55.61 -39.9809 12.1206 -39.51 4.57996 TIMING: 4435400 CPU: 14075, 0.00314205/step Wall: 14075, 0.00314205/step, 0.492778 hours remaining, 241.003906 MB of memory in use. ENERGY: 4435400 4071.5544 20431.2581 14434.7584 251.1994 -203361.2123 2559.0451 0.0000 0.0000 52143.3588 -109470.0380 299.6686 -161613.3968 -109117.9561 299.4377 -78.2114 -44.9973 761253.1568 -6.1792 -6.1245 PRESSURE: 4435600 -66.22 -42.773 143.063 -42.7727 124.615 -126.164 143.063 -126.164 114.413 GPRESSURE: 4435600 22.1352 40.4434 165.181 -112.014 105.623 -126.541 86.7816 -154.751 129.39 PRESSAVG: 4435600 6.41665 0.990175 -0.867626 0.990132 31.5964 39.0295 -0.86764 39.0295 2.53266 GPRESSAVG: 4435600 5.92286 2.30057 -2.99184 0.296041 32.3275 39.6029 -0.0926403 36.9177 2.39033 TIMING: 4435600 CPU: 14075.6, 0.00316993/step Wall: 14075.6, 0.00316993/step, 0.496974 hours remaining, 241.003906 MB of memory in use. ENERGY: 4435600 3981.6371 20488.6143 14507.1308 243.7823 -203436.3130 2354.1482 0.0000 0.0000 52435.4430 -109425.5573 301.3472 -161861.0003 -109063.7242 299.6035 57.6025 85.7158 759696.0999 13.5152 13.5469 PRESSURE: 4435800 151.99 140.586 -105.954 140.586 4.89019 156.522 -105.952 156.522 303.618 GPRESSURE: 4435800 175.691 81.5171 -93.0045 127.515 31.1587 129.439 -109.387 134.347 330.799 PRESSAVG: 4435800 34.9207 -42.3743 3.81767 -42.3743 -21.1206 -27.3805 3.81772 -27.3805 -3.3723 GPRESSAVG: 4435800 33.8279 -43.3522 4.80758 -44.7604 -20.6288 -27.5272 1.31498 -26.12 -2.74659 TIMING: 4435800 CPU: 14076.2, 0.00316639/step Wall: 14076.2, 0.00316639/step, 0.496243 hours remaining, 241.003906 MB of memory in use. ENERGY: 4435800 4021.2527 20587.9791 14449.5538 257.7132 -203373.2395 2530.2711 0.0000 0.0000 51949.7132 -109576.7563 298.5557 -161526.4695 -109213.9390 299.8055 153.4991 179.2163 759666.0350 3.4759 3.4842 PRESSURE: 4436000 -34.7443 -64.5296 -64.2232 -64.5299 270.681 52.7258 -64.2234 52.7254 34.4926 GPRESSURE: 4436000 42.6305 21.469 -11.4746 -50.5136 358.437 15.1682 -84.0946 49.1757 -32.63 PRESSAVG: 4436000 2.85123 -24.9619 2.75134 -24.9619 9.52754 -1.68584 2.75141 -1.6859 12.0754 GPRESSAVG: 4436000 3.07757 -26.1196 3.58279 -23.3699 9.51412 -2.39636 2.96567 -0.695275 11.9876 TIMING: 4436000 CPU: 14076.9, 0.00316513/step Wall: 14076.9, 0.00316513/step, 0.495871 hours remaining, 241.003906 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: 4436000 3993.7174 20552.2676 14461.5546 236.3497 -203568.5530 2545.9697 0.0000 0.0000 52246.9570 -109531.7369 300.2640 -161778.6939 -109168.1951 299.7892 90.1432 122.8124 760268.8961 8.1514 8.1931 PRESSURE: 4436200 -38.1055 -110.617 -33.2489 -110.617 -335.805 -19.7062 -33.248 -19.7048 -22.2407 GPRESSURE: 4436200 -114.483 -235.579 10.5258 -175.959 -202.155 6.6219 91.8029 -71.1561 9.28098 PRESSAVG: 4436200 3.05803 -20.3998 58.2801 -20.3998 14.658 45.6654 58.2801 45.6655 8.13744 GPRESSAVG: 4436200 4.13387 -21.7266 58.3512 -20.9978 13.4179 48.0129 59.1446 42.3941 8.59991 TIMING: 4436200 CPU: 14077.5, 0.00315569/step Wall: 14077.5, 0.00315569/step, 0.494216 hours remaining, 241.003906 MB of memory in use. ENERGY: 4436200 4028.2474 20488.5601 14452.8496 255.0810 -203306.3109 2473.9175 0.0000 0.0000 52116.0144 -109491.6409 299.5115 -161607.6553 -109142.9535 299.3779 -132.0502 -102.4523 761522.5018 8.6178 8.7172 LDB: ============= START OF LOAD BALANCING ============== 14089.9 LDB: ============== END OF LOAD BALANCING =============== 14089.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14089.9 LDB: ============= START OF LOAD BALANCING ============== 14090.3 LDB: Largest compute 7068 load 0.035459 is 18.1% of average load 0.195426 LDB: Average compute 0.004375 is 2.2% of average load 0.195426 LDB: TIME 14090.3 LOAD: AVG 0.195426 MAX 0.216297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.113 MB LDB: TIME 14090.3 LOAD: AVG 0.195426 MAX 0.216297 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.316 MB LDB: TIME 14090.3 LOAD: AVG 0.195426 MAX 0.216297 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.316 MB LDB: ============== END OF LOAD BALANCING =============== 14090.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14090.3 PRESSURE: 4436400 182.971 244.188 32.0006 244.187 107.254 -148.249 32.0008 -148.249 -150.049 GPRESSURE: 4436400 146.109 141.217 41.3032 258.208 137.142 -120.59 105.024 -3.42119 -54.1499 PRESSAVG: 4436400 42.0769 6.1029 89.3864 6.10285 -58.0289 28.4326 89.3865 28.4326 3.13189 GPRESSAVG: 4436400 42.7666 7.71494 86.7248 6.57519 -58.1641 26.1588 90.8044 29.8896 2.42875 TIMING: 4436400 CPU: 14078.1, 0.00322403/step Wall: 14078.1, 0.00322403/step, 0.50474 hours remaining, 240.863281 MB of memory in use. ENERGY: 4436400 4005.3508 20564.4172 14488.9279 256.1784 -203671.5682 2791.3302 0.0000 0.0000 51964.5165 -109600.8471 298.6408 -161565.3636 -109245.2121 299.4285 46.7254 76.3672 760555.3860 -4.2734 -4.3229 PRESSURE: 4436600 61.525 -233.858 114.145 -233.857 200.011 83.7641 114.145 83.7641 33.2867 GPRESSURE: 4436600 132.381 -157.427 177.291 -175.065 335.953 62.8727 117.969 51.928 -66.1966 PRESSAVG: 4436600 -21.0786 6.17487 43.7201 6.17486 -1.05152 63.5425 43.7201 63.5425 10.4608 GPRESSAVG: 4436600 -21.9051 6.60589 45.2189 6.02311 0.359592 64.9053 42.0729 62.6364 9.84386 TIMING: 4436600 CPU: 14078.8, 0.00316692/step Wall: 14078.8, 0.00316692/step, 0.495622 hours remaining, 241.066406 MB of memory in use. ENERGY: 4436600 3972.8183 20505.5869 14442.9929 255.8870 -203565.6853 2392.0729 0.0000 0.0000 52317.9301 -109678.3971 300.6719 -161996.3272 -109310.1878 299.3567 98.2743 134.0455 759401.7935 -3.8898 -3.9005 PRESSURE: 4436800 412.946 -122.412 174.692 -122.411 -41.9749 144.62 174.691 144.62 -141.847 GPRESSURE: 4436800 465.867 -20.2263 164.312 -146.489 -4.44073 35.0479 141.447 72.4139 -131.856 PRESSAVG: 4436800 -0.300425 -32.121 -28.9226 -32.121 21.6364 64.8999 -28.9226 64.8998 -25.0037 GPRESSAVG: 4436800 -0.819572 -30.9281 -28.2802 -32.2393 21.9978 63.6919 -26.4162 66.5597 -25.2314 TIMING: 4436800 CPU: 14079.4, 0.00314825/step Wall: 14079.4, 0.00314825/step, 0.492526 hours remaining, 241.066406 MB of memory in use. ENERGY: 4436800 4007.2269 20465.2895 14467.1171 246.1955 -203912.6004 2850.5340 0.0000 0.0000 52043.5544 -109832.6831 299.0950 -161876.2375 -109474.8051 299.3166 76.3749 109.8567 758323.1595 -1.2226 -1.3511 PRESSURE: 4437000 -399.065 -116.089 77.5594 -116.088 -255.092 122.651 77.559 122.651 -488.353 GPRESSURE: 4437000 -405.104 -131.03 68.6307 -89.2583 -219.218 81.2474 0.370259 -71.9796 -430.769 PRESSAVG: 4437000 -0.395146 -82.624 34.691 -82.624 21.8986 0.916792 34.6911 0.91684 -0.766459 GPRESSAVG: 4437000 -0.249541 -84.3602 34.2897 -83.7125 20.0839 1.50529 32.1445 -0.861543 0.641867 TIMING: 4437000 CPU: 14080, 0.00314932/step Wall: 14080, 0.00314932/step, 0.492518 hours remaining, 241.066406 MB of memory in use. ENERGY: 4437000 3987.4659 20412.7013 14641.5870 244.3724 -203084.1033 2423.9544 0.0000 0.0000 51858.1417 -109515.8807 298.0295 -161374.0224 -109159.9227 299.0126 -380.8367 -351.6970 761965.2447 6.9123 6.8254 PRESSURE: 4437200 -43.6164 47.5067 -80.4764 47.5073 132.691 72.3855 -80.4766 72.3873 -349.724 GPRESSURE: 4437200 -28.0411 146.364 -180.659 -56.4983 123.627 68.0399 -38.4754 81.6268 -259.449 PRESSAVG: 4437200 36.1706 -43.2564 -34.6952 -43.2564 -56.5641 18.9962 -34.6952 18.9962 -8.11829 GPRESSAVG: 4437200 36.5332 -40.611 -35.6199 -42.571 -56.4541 19.8543 -33.7368 17.022 -8.45426 TIMING: 4437200 CPU: 14080.7, 0.00315238/step Wall: 14080.7, 0.00315238/step, 0.492822 hours remaining, 241.066406 MB of memory in use. ENERGY: 4437200 3944.1709 20465.6740 14400.8393 228.3442 -203211.4982 2545.4779 0.0000 0.0000 52019.3488 -109607.6431 298.9559 -161626.9919 -109245.1185 299.2508 -86.8831 -54.6213 760648.0197 -9.5039 -9.4584 PRESSURE: 4437400 -485.267 -147.432 -65.8616 -147.432 -58.147 68.9772 -65.8622 68.9763 120.875 GPRESSURE: 4437400 -465.494 -236.458 -15.9053 -130.686 31.0757 -16.9302 -147.524 12.8283 123.059 PRESSAVG: 4437400 26.7531 -73.3136 34.1974 -73.3136 34.3571 7.50836 34.1974 7.50843 -21.6204 GPRESSAVG: 4437400 25.4378 -74.875 36.6022 -71.9729 35.2015 6.93156 31.9141 10.3058 -20.9684 TIMING: 4437400 CPU: 14081.3, 0.00314283/step Wall: 14081.3, 0.00314283/step, 0.491154 hours remaining, 241.066406 MB of memory in use. ENERGY: 4437400 3898.3074 20442.6269 14460.8192 235.1400 -202977.3043 2336.3500 0.0000 0.0000 52257.5327 -109346.5280 300.3248 -161604.0607 -108988.5605 299.2868 -140.8462 -103.7865 762050.7771 13.1633 13.2236 PRESSURE: 4437600 -128.011 -37.7912 -45.987 -37.7919 45.5803 43.3676 -45.9874 43.3696 113.406 GPRESSURE: 4437600 -74.7792 9.67458 33.8529 -86.2811 18.9449 -79.3652 -59.0667 -35.0477 162.234 PRESSAVG: 4437600 7.71355 -37.3661 -44.4354 -37.3661 -13.8898 3.43519 -44.4354 3.43522 18.1964 GPRESSAVG: 4437600 10.7819 -37.1822 -46.3721 -36.7664 -16.1548 3.78237 -40.9535 0.879597 17.0187 TIMING: 4437600 CPU: 14081.9, 0.00315286/step Wall: 14081.9, 0.00315286/step, 0.492547 hours remaining, 241.066406 MB of memory in use. ENERGY: 4437600 4006.7308 20615.2179 14451.2494 230.9669 -203515.5437 2850.3852 0.0000 0.0000 51871.4042 -109489.5892 298.1057 -161360.9934 -109128.6936 299.3981 10.3249 35.4667 761679.3973 4.0067 3.8820 PRESSURE: 4437800 143.338 -16.5045 21.2102 -16.5044 -36.7405 184.819 21.2109 184.819 267.571 GPRESSURE: 4437800 151.224 -41.4431 -46.7266 -121.039 -47.234 226.633 58.3801 208.252 325.504 PRESSAVG: 4437800 -17.5988 -39.711 4.8233 -39.711 -4.3387 24.2976 4.82325 24.2976 21.9599 GPRESSAVG: 4437800 -20.5561 -40.5013 5.97001 -39.4738 -2.29351 24.6402 4.37251 27.6458 22.7956 TIMING: 4437800 CPU: 14082.5, 0.0031493/step Wall: 14082.5, 0.0031493/step, 0.491816 hours remaining, 241.066406 MB of memory in use. ENERGY: 4437800 3955.0834 20486.1707 14526.0079 248.4728 -203317.7155 2485.5637 0.0000 0.0000 51972.0376 -109644.3794 298.6840 -161616.4170 -109278.6891 298.7300 124.7229 143.1647 761189.5795 0.0075 -0.0180 PRESSURE: 4438000 -55.6171 -24.5629 88.379 -24.5626 -201.428 -16.8374 88.3784 -16.8373 -310.105 GPRESSURE: 4438000 -42.6758 -58.1846 85.8419 -39.0017 -164.915 -117.444 -9.03511 -142.95 -276.357 PRESSAVG: 4438000 5.67267 -45.1956 19.037 -45.1956 -10.2188 63.7806 19.0371 63.7806 1.42481 GPRESSAVG: 4438000 5.42057 -45.1974 19.2376 -45.2615 -9.90398 62.4762 17.9233 63.9455 1.55511 TIMING: 4438000 CPU: 14083.2, 0.00314556/step Wall: 14083.2, 0.00314556/step, 0.491057 hours remaining, 241.066406 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: 4438000 4019.8016 20410.5172 14456.3257 260.1517 -203422.2072 2644.9672 0.0000 0.0000 51941.2183 -109689.2255 298.5069 -161630.4438 -109318.4820 299.1908 -189.0500 -161.3158 762182.3078 -1.0404 -0.9761 PRESSURE: 4438200 170.4 -123.143 -25.7026 -123.143 225.767 50.2491 -25.7017 50.2506 91.243 GPRESSURE: 4438200 122.348 -219.975 -11.3729 -51.2869 257.924 5.65448 -55.5396 60.2441 187.78 PRESSAVG: 4438200 10.4289 -44.7457 43.0332 -44.7457 12.7159 -21.4181 43.0332 -21.418 13.7372 GPRESSAVG: 4438200 10.4234 -44.5223 42.5443 -45.4504 12.2119 -20.6329 44.7726 -24.6152 13.6876 TIMING: 4438200 CPU: 14083.8, 0.00316892/step Wall: 14083.8, 0.00316892/step, 0.494528 hours remaining, 241.066406 MB of memory in use. ENERGY: 4438200 3998.7241 20482.2872 14503.4547 238.6777 -203217.4685 2503.7373 0.0000 0.0000 51690.2730 -109800.3144 297.0647 -161490.5875 -109447.4391 298.6420 162.4700 189.3511 761135.6941 12.2940 12.1076 PRESSURE: 4438400 -183.226 148.227 -68.5901 148.228 -257.378 -81.656 -68.5902 -81.6563 -434.447 GPRESSURE: 4438400 -65.7902 128.654 -77.0287 23.4223 -302.086 -37.2492 -106.114 -56.4131 -417.931 PRESSAVG: 4438400 -4.93171 -91.7086 24.172 -91.7086 -3.07241 -50.0473 24.1719 -50.0473 -14.9701 GPRESSAVG: 4438400 -4.25458 -90.5913 24.3887 -92.9798 -3.93077 -49.2745 23.3836 -47.7163 -14.347 TIMING: 4438400 CPU: 14084.4, 0.0031827/step Wall: 14084.4, 0.0031827/step, 0.496501 hours remaining, 241.066406 MB of memory in use. ENERGY: 4438400 3907.8045 20557.4447 14457.3432 242.1755 -202746.8377 2040.0487 0.0000 0.0000 51619.4760 -109922.5451 296.6578 -161542.0211 -109565.0618 298.2357 -291.6838 -261.9355 763054.8246 -7.6581 -7.5108 PRESSURE: 4438600 -260.326 -14.4768 -3.88864 -14.4765 -189.618 249.501 -3.8886 249.501 448.647 GPRESSURE: 4438600 -198.189 -130.487 -37.1773 -57.2874 -118.912 203.013 -49.3478 107.528 410.925 PRESSAVG: 4438600 33.9553 -16.6613 -9.41785 -16.6613 -36.3291 19.6917 -9.41788 19.6917 -1.20589 GPRESSAVG: 4438600 33.8923 -17.2253 -9.17583 -16.0671 -36.3849 20.0294 -9.73719 17.0809 -1.84366 TIMING: 4438600 CPU: 14085.1, 0.00317992/step Wall: 14085.1, 0.00317991/step, 0.49589 hours remaining, 241.066406 MB of memory in use. ENERGY: 4438600 3951.0215 20232.1285 14449.4161 246.5320 -203675.5844 2693.5860 0.0000 0.0000 52050.4563 -110052.4440 299.1347 -162102.9003 -109685.5280 298.1394 -0.4323 31.2747 761874.8461 -1.1932 -1.4454 PRESSURE: 4438800 45.317 -138.03 113.552 -138.03 -69.6664 -219.552 113.553 -219.553 -72.5928 GPRESSURE: 4438800 86.6067 -96.0138 97.9618 -107.974 -46.3376 -76.3033 77.1338 -219.383 -40.1573 PRESSAVG: 4438800 20.7286 -26.7011 -47.0255 -26.7011 -14.3178 -55.1954 -47.0255 -55.1955 2.32256 GPRESSAVG: 4438800 20.0601 -26.8888 -48.3097 -25.7121 -14.081 -55.817 -47.08 -52.9597 2.34386 TIMING: 4438800 CPU: 14085.7, 0.00315201/step Wall: 14085.7, 0.00315201/step, 0.491364 hours remaining, 241.066406 MB of memory in use. ENERGY: 4438800 4000.6716 20507.6830 14496.7415 246.1593 -203402.5720 2368.2397 0.0000 0.0000 51717.7476 -110065.3294 297.2226 -161783.0769 -109700.1326 298.0574 -32.3141 0.0373 759644.4018 2.9111 2.7743 PRESSURE: 4439000 -332.716 144.347 -230.691 144.346 -302.805 144.203 -230.691 144.202 184.678 GPRESSURE: 4439000 -314.851 131.123 -154.432 39.1236 -252.156 142.047 -136.851 15.4029 202.451 PRESSAVG: 4439000 47.4373 -38.5194 27.3426 -38.5193 -38.371 -23.3725 27.3426 -23.3724 -4.54889 GPRESSAVG: 4439000 48.6599 -37.2135 27.8262 -39.1966 -39.4915 -24.1231 27.5403 -22.4562 -4.66336 TIMING: 4439000 CPU: 14086.3, 0.00316681/step Wall: 14086.3, 0.00316681/step, 0.493494 hours remaining, 241.066406 MB of memory in use. ENERGY: 4439000 3952.7495 20536.2314 14437.3736 253.7386 -203614.1946 2560.4247 0.0000 0.0000 51913.9517 -109959.7251 298.3502 -161873.6769 -109594.9608 298.4151 -150.2812 -121.5189 759877.6596 1.5058 1.5016 PRESSURE: 4439200 -189.652 40.9102 172.185 40.9104 2.44966 -42.7679 172.184 -42.7683 -95.0311 GPRESSURE: 4439200 -244.723 84.3494 199.206 -28.4255 52.1954 -71.6192 214.614 -7.05448 -20.9005 PRESSAVG: 4439200 62.9483 -28.1776 15.0526 -28.1776 -15.9936 -32.8673 15.0526 -32.8673 -5.34788 GPRESSAVG: 4439200 62.4097 -27.4835 15.5092 -28.5225 -15.384 -32.8821 15.4422 -35.3064 -5.02216 TIMING: 4439200 CPU: 14087, 0.00315055/step Wall: 14087, 0.00315055/step, 0.490786 hours remaining, 241.066406 MB of memory in use. ENERGY: 4439200 3979.4117 20477.9516 14451.7340 231.2992 -202979.4406 2431.5624 0.0000 0.0000 51582.1937 -109825.2879 296.4436 -161407.4816 -109469.5369 298.5803 -94.0779 -71.1427 760495.2827 13.8689 14.0012 PRESSURE: 4439400 -427.968 -204.313 -12.7055 -204.313 -446.937 -127.51 -12.7053 -127.51 -334.387 GPRESSURE: 4439400 -464.89 -236.588 -20.5059 -169.145 -356.669 -141.086 -32.6363 -24.623 -301.802 PRESSAVG: 4439400 -28.8666 -3.87937 77.963 -3.87936 21.225 44.7155 77.963 44.7155 -8.72791 GPRESSAVG: 4439400 -29.9314 -5.45479 76.8161 -1.61336 21.4015 45.1763 78.5361 45.9202 -8.16105 TIMING: 4439400 CPU: 14087.6, 0.00315962/step Wall: 14087.6, 0.00315962/step, 0.492023 hours remaining, 241.066406 MB of memory in use. ENERGY: 4439400 4082.6154 20480.1835 14511.6539 237.0883 -203136.2571 2377.8787 0.0000 0.0000 51771.4821 -109675.3551 297.5314 -161446.8373 -109313.1048 298.6861 -403.0972 -374.4535 761205.8438 -5.4565 -5.5637 PRESSURE: 4439600 120.514 73.9642 -14.4797 73.9657 345.666 -53.5104 -14.4794 -53.5105 -55.3339 GPRESSURE: 4439600 69.3837 51.9711 22.5833 114.731 464.738 -68.0037 5.63007 -43.7675 -31.5061 PRESSAVG: 4439600 -18.7993 -44.0586 45.6551 -44.0586 1.49847 -24.1347 45.6551 -24.1347 18.6986 GPRESSAVG: 4439600 -19.0437 -45.055 46.4534 -45.9356 2.53274 -25.2149 44.9096 -24.1921 18.0867 TIMING: 4439600 CPU: 14088.2, 0.00316417/step Wall: 14088.2, 0.00316417/step, 0.492556 hours remaining, 241.066406 MB of memory in use. ENERGY: 4439600 3932.0194 20306.9057 14491.1827 244.7101 -203827.4323 2965.1385 0.0000 0.0000 52250.0116 -109637.4644 300.2815 -161887.4760 -109276.3539 298.9839 136.9487 167.5387 760914.5237 0.4659 0.5252 PRESSURE: 4439800 164.918 -176.606 29.9386 -176.607 -180.7 78.2803 29.9384 78.2805 23.072 GPRESSURE: 4439800 188.467 -226.622 78.9002 -221.427 -96.7884 -25.4173 17.1661 -45.9456 -4.05716 PRESSAVG: 4439800 -22.2372 -35.7746 -3.79556 -35.7745 26.2548 -38.5691 -3.79559 -38.5691 -10.6379 GPRESSAVG: 4439800 -21.7832 -33.0109 -3.37553 -35.8041 25.3832 -39.4251 -4.9467 -41.1567 -10.3037 TIMING: 4439800 CPU: 14088.9, 0.00316896/step Wall: 14088.9, 0.00316896/step, 0.493125 hours remaining, 241.066406 MB of memory in use. ENERGY: 4439800 4008.5332 20432.3690 14506.1755 229.1785 -203936.0639 2884.1621 0.0000 0.0000 52026.5547 -109849.0908 298.9973 -161875.6455 -109488.1328 298.7377 2.4298 29.2073 761591.0709 -2.2068 -2.2346 PRESSURE: 4440000 -273.103 -18.8039 -123.19 -18.8037 -429.833 -60.9738 -123.189 -60.9736 -271.49 GPRESSURE: 4440000 -199.006 -50.0195 -124.164 -59.4977 -403.302 -97.258 -168.627 100.925 -298.668 PRESSAVG: 4440000 -13.3995 -31.3818 28.4627 -31.3818 -17.6935 -36.1209 28.4628 -36.1209 -3.5504 GPRESSAVG: 4440000 -13.4457 -32.9 28.6676 -30.6448 -16.9047 -35.8694 29.7981 -33.8072 -4.33971 TIMING: 4440000 CPU: 14089.5, 0.00314362/step Wall: 14089.5, 0.00314362/step, 0.489008 hours remaining, 241.066406 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: 4440000 4022.9021 20544.3881 14593.5824 243.0698 -203225.8853 2168.9976 0.0000 0.0000 51666.5951 -109986.3504 296.9286 -161652.9454 -109623.2571 298.2873 -324.8086 -300.3253 759703.3511 -11.5478 -11.5634 PRESSURE: 4440200 31.7449 -137.988 148.548 -137.987 61.5955 -111.314 148.548 -111.313 -8.53072 GPRESSURE: 4440200 100.589 -60.075 184.973 -42.7791 58.1552 -60.3247 74.3808 -103.313 12.9379 PRESSAVG: 4440200 -2.95081 -3.87601 31.3391 -3.876 34.211 12.4995 31.3391 12.4995 5.7802 GPRESSAVG: 4440200 -2.61884 -4.37209 30.2642 -4.12509 33.4752 12.9332 29.4115 14.1884 6.42537 TIMING: 4440200 CPU: 14090.1, 0.00316741/step Wall: 14090.1, 0.00316741/step, 0.492533 hours remaining, 241.066406 MB of memory in use. ENERGY: 4440200 4058.8783 20593.6990 14443.2546 275.0516 -203772.2602 2627.9428 0.0000 0.0000 51804.2014 -109969.2325 297.7195 -161773.4340 -109602.5299 298.8775 28.2699 57.2273 759362.1635 12.3468 12.4272 LDB: ============= START OF LOAD BALANCING ============== 14102.6 LDB: ============== END OF LOAD BALANCING =============== 14102.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14102.6 LDB: ============= START OF LOAD BALANCING ============== 14102.9 LDB: Largest compute 7068 load 0.035155 is 18.0% of average load 0.195582 LDB: Average compute 0.004385 is 2.2% of average load 0.195582 LDB: TIME 14102.9 LOAD: AVG 0.195582 MAX 0.214384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.73 MB LDB: TIME 14102.9 LOAD: AVG 0.195582 MAX 0.214384 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: TIME 14102.9 LOAD: AVG 0.195582 MAX 0.214384 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.73 MB LDB: ============== END OF LOAD BALANCING =============== 14102.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14102.9 PRESSURE: 4440400 -120.418 76.6645 -46.0862 76.6649 247.935 10.5401 -46.0866 10.5393 -3.69533 GPRESSURE: 4440400 -65.2771 27.3661 -116.07 14.4187 184.208 -37.6664 -11.5229 -14.7648 61.6833 PRESSAVG: 4440400 -26.6404 -63.2269 -46.5506 -63.2268 -0.475225 0.133861 -46.5507 0.133789 -23.8221 GPRESSAVG: 4440400 -27.2145 -63.9876 -45.5517 -62.8566 0.136173 0.80867 -47.2416 -2.55687 -23.7579 TIMING: 4440400 CPU: 14090.8, 0.00324029/step Wall: 14090.8, 0.00324029/step, 0.503685 hours remaining, 241.378906 MB of memory in use. ENERGY: 4440400 3980.0526 20659.3708 14482.9658 260.6716 -203645.4177 2548.9277 0.0000 0.0000 51801.5268 -109911.9025 297.7041 -161713.4293 -109555.2170 298.4752 41.2739 60.2047 759700.6289 -16.9792 -16.9454 PRESSURE: 4440600 -333.73 144.298 6.51654 144.299 -95.2328 -48.2597 6.51668 -48.2602 -286.349 GPRESSURE: 4440600 -295.853 161.935 -42.4202 189.009 7.27321 -38.6955 87.729 68.393 -345.325 PRESSAVG: 4440600 -19.414 7.13694 10.9857 7.13693 53.2612 13.0279 10.9857 13.0279 6.33592 GPRESSAVG: 4440600 -18.548 9.3517 11.9752 7.58587 54.6508 13.5201 13.5702 15.1859 4.0755 TIMING: 4440600 CPU: 14091.4, 0.00315729/step Wall: 14091.4, 0.00315729/step, 0.490608 hours remaining, 241.523438 MB of memory in use. ENERGY: 4440600 4007.2052 20463.7358 14529.2872 237.9670 -203816.1417 2615.6420 0.0000 0.0000 52244.4704 -109717.8341 300.2497 -161962.3045 -109361.8068 298.5758 -238.4371 -211.3016 759610.2606 13.3944 13.3928 PRESSURE: 4440800 -24.4359 78.6729 -31.2263 78.6728 236.377 107.698 -31.2261 107.698 210.932 GPRESSURE: 4440800 -14.8604 16.7891 82.5577 28.39 205.74 72.1729 19.1629 162.076 325.215 PRESSAVG: 4440800 32.8338 -43.2468 -4.46481 -43.2469 -48.6496 18.6533 -4.46485 18.6533 23.1919 GPRESSAVG: 4440800 32.2278 -43.5316 -4.14786 -45.0353 -49.9143 18.8336 -5.72336 15.6215 25.1538 TIMING: 4440800 CPU: 14092, 0.00316732/step Wall: 14092, 0.00316732/step, 0.49199 hours remaining, 241.523438 MB of memory in use. ENERGY: 4440800 3935.4668 20325.2171 14466.0438 230.4072 -203566.8233 2698.5479 0.0000 0.0000 52013.7641 -109897.3765 298.9238 -161911.1406 -109525.2624 299.0622 140.9574 172.0316 759192.0165 2.4587 2.4891 PRESSURE: 4441000 -27.7606 -134.088 149.567 -134.088 -154.583 16.2531 149.568 16.2526 -114.374 GPRESSURE: 4441000 105.091 -66.4609 50.3411 -126.326 -148.007 -90.0962 152.078 -44.9637 -130.257 PRESSAVG: 4441000 -37.0767 -45.2216 -25.4166 -45.2217 27.6691 30.7844 -25.4165 30.7844 6.72656 GPRESSAVG: 4441000 -36.8859 -46.0768 -26.603 -42.7453 28.3144 30.1488 -26.7154 33.342 6.19455 TIMING: 4441000 CPU: 14092.7, 0.00315835/step Wall: 14092.7, 0.00315835/step, 0.490422 hours remaining, 241.781250 MB of memory in use. ENERGY: 4441000 3922.1876 20580.2109 14484.6266 259.3550 -203364.3368 2406.8535 0.0000 0.0000 51884.4194 -109826.6838 298.1805 -161711.1032 -109468.7980 298.9291 -98.9058 -57.7244 760363.1780 -0.8937 -0.7923 PRESSURE: 4441200 -172.521 97.5499 151.325 97.5496 -147.547 -55.3352 151.326 -55.3347 31.1227 GPRESSURE: 4441200 -121.15 52.5303 122.564 133.448 -127.37 69.0969 215.25 -51.0384 61.5152 PRESSAVG: 4441200 23.7277 6.84782 -9.98312 6.84781 22.7892 25.7883 -9.98318 25.7883 -7.0815 GPRESSAVG: 4441200 23.5548 6.18554 -9.83521 4.6267 23.3528 26.877 -8.2653 24.8216 -7.80445 TIMING: 4441200 CPU: 14093.3, 0.00316448/step Wall: 14093.3, 0.00316448/step, 0.491198 hours remaining, 241.781250 MB of memory in use. ENERGY: 4441200 4007.6527 20605.1216 14560.8197 246.2860 -203567.6953 2390.7803 0.0000 0.0000 51852.7161 -109904.3189 297.9983 -161757.0351 -109541.9827 299.0455 -96.3151 -62.3349 760633.4187 13.1451 13.0344 PRESSURE: 4441400 50.5262 24.9576 66.2832 24.9571 -54.5851 -58.3666 66.2841 -58.3673 -268.901 GPRESSURE: 4441400 82.9055 91.2256 23.4953 100.156 -158.771 1.2667 37.7538 114.903 -122.154 PRESSAVG: 4441400 -18.8561 -0.969764 1.97963 -0.969758 15.1428 -2.93009 1.97969 -2.93004 5.41384 GPRESSAVG: 4441400 -19.5434 -1.04254 1.4794 0.956396 14.3328 -3.38523 1.35527 -3.18506 6.55714 TIMING: 4441400 CPU: 14093.9, 0.00314995/step Wall: 14093.9, 0.00314995/step, 0.488767 hours remaining, 241.781250 MB of memory in use. ENERGY: 4441400 4041.6699 20657.9526 14488.2521 243.3133 -203858.0238 2650.1452 0.0000 0.0000 51815.5091 -109961.1816 297.7844 -161776.6907 -109606.1970 298.5875 -90.9867 -66.0065 759875.2067 0.5668 0.4488 PRESSURE: 4441600 -392.427 -200.801 -191.833 -200.802 -189.062 -52.8902 -191.833 -52.8897 332.978 GPRESSURE: 4441600 -292.108 -179.508 -142.256 -166.398 -118.936 -110.547 -145.726 -84.8789 248.682 PRESSAVG: 4441600 -25.5775 -18.5158 -15.9275 -18.5158 11.4767 9.95688 -15.9274 9.95686 13.6604 GPRESSAVG: 4441600 -24.2121 -18.7278 -16.8527 -19.2842 11.0844 10.2064 -16.3115 10.3084 12.6054 TIMING: 4441600 CPU: 14094.6, 0.00316442/step Wall: 14094.6, 0.00316442/step, 0.490837 hours remaining, 241.781250 MB of memory in use. ENERGY: 4441600 3966.6970 20676.4837 14411.7484 246.2286 -203340.3791 2392.9768 0.0000 0.0000 51891.2022 -109755.0425 298.2195 -161646.2446 -109401.8001 298.9055 -82.8368 -54.1205 760885.5571 -0.1468 -0.1741 PRESSURE: 4441800 471.663 34.4614 344.987 34.4611 -64.2863 83.7053 344.987 83.7061 157.311 GPRESSURE: 4441800 505.626 48.3132 251.721 -1.28474 -22.2677 45.1933 354.528 288.215 167.435 PRESSAVG: 4441800 38.9543 -36.6509 44.4702 -36.6509 -35.056 -7.46548 44.4702 -7.46544 -6.77239 GPRESSAVG: 4441800 38.8921 -34.6935 46.0239 -36.2257 -35.396 -8.63559 45.6561 -9.63691 -6.47775 TIMING: 4441800 CPU: 14095.2, 0.0031503/step Wall: 14095.2, 0.0031503/step, 0.488471 hours remaining, 241.781250 MB of memory in use. ENERGY: 4441800 4054.1310 20567.8857 14477.7916 242.5469 -203507.8824 2781.9884 0.0000 0.0000 51911.9978 -109471.5410 298.3390 -161383.5388 -109106.1992 299.6270 188.2295 216.9312 762393.8877 -0.9581 -0.9939 PRESSURE: 4442000 12.0893 -204.109 -72.0169 -204.11 -238.241 141.248 -72.017 141.249 -675.652 GPRESSURE: 4442000 14.6273 -177.444 -62.993 -94.2971 -226.877 58.5177 12.9853 156.721 -624.122 PRESSAVG: 4442000 29.0594 -46.3642 -23.9724 -46.3641 17.2782 -23.6644 -23.9724 -23.6644 -3.88655 GPRESSAVG: 4442000 28.0089 -49.3303 -24.5555 -44.7485 17.2685 -21.5374 -25.014 -21.2425 -2.8822 TIMING: 4442000 CPU: 14095.8, 0.00314633/step Wall: 14095.8, 0.00314633/step, 0.487681 hours remaining, 241.781250 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: 4442000 4044.1163 20530.4664 14429.6909 244.1672 -203299.2706 2401.7876 0.0000 0.0000 52215.7738 -109433.2684 300.0848 -161649.0423 -109071.2482 299.6885 -300.6010 -278.7904 760281.3151 14.1503 14.1317 PRESSURE: 4442200 83.9128 -195.105 40.1711 -195.105 -38.1129 -105.315 40.1727 -105.314 65.8844 GPRESSURE: 4442200 112.986 -70.043 56.9532 -113.599 -0.9514 -59.4057 190.067 -162.552 96.9463 PRESSAVG: 4442200 36.1861 -33.4795 70.8699 -33.4795 13.2441 25.5439 70.8699 25.5438 6.88154 GPRESSAVG: 4442200 36.3726 -31.7631 72.8153 -36.647 14.3913 25.3487 71.8509 23.7187 5.32147 TIMING: 4442200 CPU: 14096.5, 0.00314728/step Wall: 14096.5, 0.00314728/step, 0.487653 hours remaining, 241.781250 MB of memory in use. ENERGY: 4442200 4002.2103 20722.4021 14344.6161 231.3817 -203038.9761 2240.1467 0.0000 0.0000 51883.3725 -109614.8466 298.1745 -161498.2191 -109258.8863 299.6147 37.2281 69.6602 761175.9029 18.7706 18.6951 PRESSURE: 4442400 119.346 -21.9641 89.5882 -21.9639 -27.4384 27.7129 89.5885 27.712 -19.6903 GPRESSURE: 4442400 163.601 38.2414 14.1312 3.39257 5.64206 89.5178 83.3083 232.875 6.52498 PRESSAVG: 4442400 57.8929 -36.7716 30.946 -36.7716 -49.3296 -47.0824 30.946 -47.0823 -6.07008 GPRESSAVG: 4442400 57.8737 -37.7004 30.2677 -33.4018 -49.4955 -46.6054 29.6901 -45.386 -6.22551 TIMING: 4442400 CPU: 14097.1, 0.00315762/step Wall: 14097.1, 0.00315762/step, 0.489081 hours remaining, 241.781250 MB of memory in use. ENERGY: 4442400 3963.0912 20275.4214 14476.2977 254.8762 -203281.3357 2385.5296 0.0000 0.0000 52005.0709 -109921.0487 298.8739 -161926.1197 -109560.1710 298.5917 24.0724 58.5894 761146.0302 0.8311 0.7175 PRESSURE: 4442600 -127.598 -24.9035 90.4864 -24.9027 336.074 269.321 90.4861 269.321 -43.8666 GPRESSURE: 4442600 -44.7474 37.4611 149.692 32.7948 293.723 237.253 152.52 86.6579 10.3497 PRESSAVG: 4442600 -0.194306 -2.28239 74.7912 -2.28239 14.5599 -23.5718 74.7912 -23.5719 -1.28247 GPRESSAVG: 4442600 -0.259178 -4.17041 73.9848 -2.57035 14.7322 -24.9412 76.7307 -25.1591 -1.02576 TIMING: 4442600 CPU: 14097.7, 0.00315059/step Wall: 14097.7, 0.00315059/step, 0.487816 hours remaining, 241.781250 MB of memory in use. ENERGY: 4442600 4035.0276 20478.1267 14437.8193 238.0534 -203995.5103 2714.3368 0.0000 0.0000 52195.5664 -109896.5801 299.9686 -162092.1465 -109534.5975 298.7508 54.8696 86.4417 757571.6927 4.3610 4.4824 PRESSURE: 4442800 -33.279 -58.5811 -103.852 -58.5815 -111.421 55.157 -103.852 55.1565 422.822 GPRESSURE: 4442800 -12.7167 34.1378 -51.6359 35.609 -25.7658 -25.9131 -106.672 47.995 395.701 PRESSAVG: 4442800 -22.3034 -54.945 17.1173 -54.945 14.0769 -6.33733 17.1173 -6.33743 32.3441 GPRESSAVG: 4442800 -22.0404 -53.6014 17.2756 -56.2286 14.1999 -7.95242 16.6491 -5.23814 31.6669 TIMING: 4442800 CPU: 14098.4, 0.00314206/step Wall: 14098.4, 0.00314206/step, 0.48632 hours remaining, 241.781250 MB of memory in use. ENERGY: 4442800 3998.5295 20474.7363 14449.8489 248.1162 -203605.9183 2499.8006 0.0000 0.0000 52082.4780 -109852.4088 299.3187 -161934.8868 -109492.4441 298.9700 92.7071 119.0728 759523.8902 8.0392 7.9421 PRESSURE: 4443000 -339.414 -57.9354 -103.009 -57.9356 -352.202 -118.962 -103.009 -118.963 -243.063 GPRESSURE: 4443000 -243.048 -129.396 -44.4985 -27.74 -358.36 -101.177 40.1372 -174.74 -262.816 PRESSAVG: 4443000 -0.586359 -10.778 -2.48912 -10.7781 1.31376 -5.9313 -2.48915 -5.9313 11.9024 GPRESSAVG: 4443000 -0.585623 -12.6952 -2.29117 -10.1728 0.131572 -3.54739 -5.62762 -7.81099 12.7557 TIMING: 4443000 CPU: 14099, 0.00314945/step Wall: 14099, 0.00314945/step, 0.487291 hours remaining, 241.781250 MB of memory in use. ENERGY: 4443000 3966.5640 20652.6877 14482.0173 240.5320 -203386.3558 2326.5424 0.0000 0.0000 51717.4512 -110000.5613 297.2209 -161718.0125 -109641.0067 298.2919 -311.5598 -288.0748 760232.6184 4.2099 4.1005 PRESSURE: 4443200 -176.778 14.5047 49.6606 14.5061 -131.315 18.6704 49.661 18.6703 -95.6154 GPRESSURE: 4443200 -147.193 48.3629 53.4042 32.0243 -149.788 33.9789 19.7017 -17.5831 -20.2293 PRESSAVG: 4443200 -14.4724 -33.5161 31.4265 -33.5161 41.5891 13.6264 31.4265 13.6265 7.8291 GPRESSAVG: 4443200 -15.9308 -30.366 31.8237 -34.0337 42.9413 13.1511 33.4992 14.2839 7.5855 TIMING: 4443200 CPU: 14099.6, 0.00315104/step Wall: 14099.6, 0.00315104/step, 0.487361 hours remaining, 241.781250 MB of memory in use. ENERGY: 4443200 3943.4439 20533.6710 14486.9726 225.9062 -203475.2159 2162.6929 0.0000 0.0000 52125.6808 -109996.8485 299.5670 -162122.5293 -109633.3686 298.6780 -134.5693 -105.7368 758658.2747 11.6486 11.5320 PRESSURE: 4443400 -11.2744 9.60378 -2.84566 9.60343 -46.7305 238.355 -2.84631 238.355 -16.0132 GPRESSURE: 4443400 89.4638 42.5566 -102.266 -10.2109 -41.4476 177.093 34.2258 110.796 -24.8693 PRESSAVG: 4443400 28.4939 -8.47178 -19.8173 -8.47186 6.89449 34.7464 -19.8174 34.7464 -8.03117 GPRESSAVG: 4443400 29.1232 -8.34304 -21.2609 -8.79401 6.68182 35.2445 -18.9316 34.139 -8.1011 TIMING: 4443400 CPU: 14100.2, 0.0031581/step Wall: 14100.2, 0.0031581/step, 0.488278 hours remaining, 241.781250 MB of memory in use. ENERGY: 4443400 3998.8528 20496.5069 14466.2812 259.6739 -203724.1956 2570.4909 0.0000 0.0000 52054.0507 -109878.3392 299.1553 -161932.3899 -109520.1756 298.7594 -24.6727 7.7156 759342.6764 9.1191 9.2346 PRESSURE: 4443600 -33.8559 -116.082 -124.083 -116.082 -306.33 -107.13 -124.084 -107.13 168.151 GPRESSURE: 4443600 -11.5769 -59.1734 -163.056 3.96442 -266.014 -97.8924 -158.226 -98.8852 195.206 PRESSAVG: 4443600 -15.6895 -49.2381 -14.9057 -49.2382 13.9125 -10.9521 -14.9057 -10.9521 -3.03594 GPRESSAVG: 4443600 -14.016 -51.5274 -14.6911 -46.8892 12.3602 -11.0544 -16.9669 -10.9642 -3.15324 TIMING: 4443600 CPU: 14100.9, 0.00315979/step Wall: 14100.9, 0.00315979/step, 0.488363 hours remaining, 241.781250 MB of memory in use. ENERGY: 4443600 3967.0752 20547.0776 14481.2667 240.0376 -203957.4713 2630.3085 0.0000 0.0000 52185.9968 -109905.7089 299.9136 -162091.7057 -109546.0669 299.2566 -57.3448 -27.4615 757965.0481 -1.6043 -1.6030 PRESSURE: 4443800 272.911 113.378 -18.0901 113.379 70.39 8.44428 -18.0894 8.44512 72.016 GPRESSURE: 4443800 224.014 179.492 -81.143 147.157 194.972 73.0559 45.4374 46.7252 95.1574 PRESSAVG: 4443800 51.5344 -38.3351 -24.7074 -38.3352 -83.2341 -10.4651 -24.7074 -10.4651 -8.70624 GPRESSAVG: 4443800 50.0839 -36.8897 -25.7461 -40.9916 -81.0105 -10.5284 -22.0187 -8.47304 -9.23844 TIMING: 4443800 CPU: 14101.5, 0.00316949/step Wall: 14101.5, 0.00316949/step, 0.489686 hours remaining, 241.781250 MB of memory in use. ENERGY: 4443800 3924.1571 20435.5996 14471.7179 246.3831 -203150.3976 2066.4030 0.0000 0.0000 52025.7609 -109980.3761 298.9928 -162006.1370 -109617.0849 299.1788 138.4391 171.3813 758301.2369 -13.4687 -13.3884 PRESSURE: 4444000 -109.477 72.2377 -68.9578 72.2385 -59.4402 33.819 -68.9586 33.8191 -131.668 GPRESSURE: 4444000 -47.5229 111.047 -43.3916 -19.036 -31.1423 1.19329 -50.1895 1.93669 -157.814 PRESSAVG: 4444000 1.86403 -46.949 5.36663 -46.9491 0.92922 -24.7229 5.36661 -24.7229 -2.40502 GPRESSAVG: 4444000 1.41985 -45.8166 6.63507 -45.9697 0.138659 -25.26 5.25261 -24.454 -1.87142 TIMING: 4444000 CPU: 14102.1, 0.00315348/step Wall: 14102.1, 0.00315348/step, 0.487038 hours remaining, 241.781250 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: 4444000 3931.4546 20501.7912 14433.5716 242.8625 -203074.9284 2098.5682 0.0000 0.0000 52028.1830 -109838.4973 299.0067 -161866.6803 -109475.2607 298.9245 -100.1949 -78.8263 760588.7404 0.1294 -0.1043 PRESSURE: 4444200 -253.317 82.3842 165.365 82.3841 -294.971 64.1623 165.365 64.1616 301.219 GPRESSURE: 4444200 -177.559 42.2189 177.376 169.283 -225.431 82.5099 166.083 78.3697 239.942 PRESSAVG: 4444200 -20.3096 0.594321 -18.891 0.59427 -11.0615 -4.19069 -18.891 -4.19063 -5.75092 GPRESSAVG: 4444200 -19.5063 -1.91329 -17.7185 0.144047 -11.4023 -5.39136 -18.4767 -7.37402 -6.12804 TIMING: 4444200 CPU: 14102.8, 0.00317919/step Wall: 14102.8, 0.00317919/step, 0.490831 hours remaining, 241.781250 MB of memory in use. ENERGY: 4444200 3930.7543 20407.5390 14447.6465 262.8571 -203303.1176 2263.8552 0.0000 0.0000 52183.1044 -109807.3609 299.8970 -161990.4653 -109437.1946 299.1680 -82.3562 -54.3497 759765.5881 -12.3740 -12.3456 LDB: ============= START OF LOAD BALANCING ============== 14115.2 LDB: ============== END OF LOAD BALANCING =============== 14115.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14115.2 LDB: ============= START OF LOAD BALANCING ============== 14115.6 LDB: Largest compute 7060 load 0.034340 is 17.6% of average load 0.195581 LDB: Average compute 0.004392 is 2.2% of average load 0.195581 LDB: TIME 14115.6 LOAD: AVG 0.195581 MAX 0.215227 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 14115.6 LOAD: AVG 0.195581 MAX 0.215227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: TIME 14115.6 LOAD: AVG 0.195581 MAX 0.215227 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.812 MB LDB: ============== END OF LOAD BALANCING =============== 14115.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14115.6 PRESSURE: 4444400 70.5044 -227.386 148.397 -227.386 96.0569 172.988 148.396 172.988 51.584 GPRESSURE: 4444400 127.503 -176.495 62.626 -193.071 153.965 99.7956 54.859 255.392 19.0656 PRESSAVG: 4444400 59.8438 -28.6023 -13.0985 -28.6023 -49.2893 -11.0698 -13.0985 -11.0698 -3.50742 GPRESSAVG: 4444400 60.196 -28.7481 -15.1777 -27.0922 -48.4332 -9.12017 -12.0253 -9.61694 -5.02137 TIMING: 4444400 CPU: 14103.4, 0.00324593/step Wall: 14103.4, 0.00324593/step, 0.500956 hours remaining, 241.320312 MB of memory in use. ENERGY: 4444400 3925.4609 20483.5704 14485.3658 250.9811 -203639.4424 2483.1022 0.0000 0.0000 51962.5013 -110048.4607 298.6292 -162010.9621 -109684.3226 299.2505 72.7151 100.1778 760557.0425 2.3490 2.2471 PRESSURE: 4444600 236.248 -88.7935 -147.224 -88.7936 -444.716 -33.1346 -147.224 -33.1347 280.288 GPRESSURE: 4444600 235.007 -78.6268 -164.721 -106.727 -372.811 -33.7336 -70.4461 -48.0153 292.965 PRESSAVG: 4444600 67.6109 -46.3674 -25.1599 -46.3675 -41.0368 -25.236 -25.1599 -25.2361 -8.0891 GPRESSAVG: 4444600 66.9563 -45.311 -23.4009 -44.7581 -41.5835 -27.2742 -31.0765 -23.8251 -6.43203 TIMING: 4444600 CPU: 14104.1, 0.00317749/step Wall: 14104.1, 0.00317749/step, 0.490217 hours remaining, 241.781250 MB of memory in use. ENERGY: 4444600 3926.7765 20522.7228 14485.2461 260.3359 -203530.8637 2491.9755 0.0000 0.0000 51810.3289 -110033.4780 297.7547 -161843.8069 -109666.2771 298.6415 23.9398 51.7201 760139.8578 6.1617 6.3136 PRESSURE: 4444800 -303.747 -162.371 -13.4475 -162.371 -246.668 -185.112 -13.4474 -185.111 34.8402 GPRESSURE: 4444800 -239.317 -197.658 -25.9817 -125.698 -252.078 -183.773 132.858 -223.022 70.9191 PRESSAVG: 4444800 68.4741 -19.7357 -41.8381 -19.7357 -83.2758 5.55087 -41.8382 5.55091 34.3671 GPRESSAVG: 4444800 69.1791 -20.7791 -43.4321 -22.5821 -83.8121 6.3906 -37.7745 4.10462 34.2267 TIMING: 4444800 CPU: 14104.7, 0.00316571/step Wall: 14104.7, 0.00316571/step, 0.488223 hours remaining, 241.781250 MB of memory in use. ENERGY: 4444800 3953.9866 20451.5244 14461.7348 242.8634 -203372.8417 2258.1482 0.0000 0.0000 52137.9817 -109866.6027 299.6377 -162004.5844 -109510.1272 298.5452 -171.8584 -140.1586 759920.3174 6.5218 6.5312 PRESSURE: 4445000 85.2146 114.131 139.975 114.131 -394.66 6.27831 139.975 6.27842 315.432 GPRESSURE: 4445000 156.839 130.425 117.213 40.876 -387.963 -11.8954 2.29671 85.5754 333.956 PRESSAVG: 4445000 32.651 -65.2714 -14.9495 -65.2715 -25.8647 6.90703 -14.9494 6.907 -13.6409 GPRESSAVG: 4445000 32.0177 -63.5764 -12.9735 -66.9213 -25.9786 6.04818 -16.7463 7.53856 -12.8907 TIMING: 4445000 CPU: 14105.3, 0.00316743/step Wall: 14105.3, 0.00316743/step, 0.488312 hours remaining, 241.781250 MB of memory in use. ENERGY: 4445000 3993.5237 20278.6266 14450.8619 263.5003 -203396.8930 2581.0352 0.0000 0.0000 52062.3590 -109766.9864 299.2031 -161829.3454 -109411.5702 298.8660 1.9956 34.2773 759480.5325 -2.2848 -2.2839 PRESSURE: 4445200 3.91724 -149.894 140.391 -149.895 307.439 217.57 140.391 217.57 33.2335 GPRESSURE: 4445200 73.8996 -53.6641 212.057 -120.68 326.492 251.344 69.4068 269.037 25.8927 PRESSAVG: 4445200 36.0781 -36.5741 -30.4984 -36.5742 -8.73356 2.23599 -30.4984 2.23592 13.0902 GPRESSAVG: 4445200 36.5359 -37.3725 -30.812 -33.3775 -7.52037 3.76827 -29.1643 -1.42787 11.6702 TIMING: 4445200 CPU: 14106, 0.00315549/step Wall: 14106, 0.00315548/step, 0.486295 hours remaining, 241.781250 MB of memory in use. ENERGY: 4445200 3885.9467 20369.3523 14423.8031 258.1011 -203397.6811 2452.1779 0.0000 0.0000 52128.0374 -109880.2625 299.5805 -162008.2999 -109516.3027 298.8991 114.8633 142.0949 759775.7108 13.4783 13.5619 PRESSURE: 4445400 166.713 -85.8923 120.921 -85.8917 -99.0935 227.631 120.921 227.63 112.356 GPRESSURE: 4445400 117.954 -94.1296 8.31858 -122.107 -12.5652 226.299 143.362 221.339 183.248 PRESSAVG: 4445400 -37.8692 -54.8983 21.55 -54.8983 9.48956 -5.84933 21.55 -5.84929 3.57228 GPRESSAVG: 4445400 -39.2812 -54.7965 21.1104 -52.8959 10.0632 -5.09304 20.2528 -2.87662 4.34401 TIMING: 4445400 CPU: 14106.6, 0.0031562/step Wall: 14106.6, 0.0031562/step, 0.48623 hours remaining, 241.781250 MB of memory in use. ENERGY: 4445400 3944.9729 20481.9148 14445.0041 254.1611 -203467.7686 2339.2765 0.0000 0.0000 51827.5082 -110174.9311 297.8534 -162002.4393 -109815.4669 298.6251 59.9918 96.2120 760610.7507 -8.2691 -8.2913 PRESSURE: 4445600 376.628 -89.4815 -61.9028 -89.4825 390.093 -101.803 -61.9023 -101.803 229.12 GPRESSURE: 4445600 471.814 56.8613 -56.8616 -128.316 392.49 -161.529 -76.4025 -24.4841 226.499 PRESSAVG: 4445600 40.3421 -9.94785 16.0338 -9.94787 -12.9257 -18.6096 16.0337 -18.6096 10.8497 GPRESSAVG: 4445600 41.0787 -9.13141 14.544 -12.1616 -13.9501 -19.1978 18.0304 -19.698 11.0143 TIMING: 4445600 CPU: 14107.2, 0.00314664/step Wall: 14107.2, 0.00314664/step, 0.484583 hours remaining, 241.781250 MB of memory in use. ENERGY: 4445600 3954.8845 20387.7540 14489.8204 236.8363 -203834.0894 2684.7746 0.0000 0.0000 51924.9173 -110155.1022 298.4132 -162080.0195 -109789.5136 297.7846 331.9471 363.6012 758923.6828 12.7554 12.7143 PRESSURE: 4445800 280.454 88.0131 56.971 88.014 251.551 94.9972 56.9706 94.9974 -154.601 GPRESSURE: 4445800 245.098 21.5216 132.152 75.2053 284.156 90.7729 91.7485 74.4751 -87.1425 PRESSAVG: 4445800 -27.9188 -20.0314 21.3188 -20.0314 40.2048 37.8486 21.3188 37.8485 -0.802608 GPRESSAVG: 4445800 -26.9022 -21.7763 21.9325 -21.2822 39.3867 37.0358 20.0912 38.0937 -0.962953 TIMING: 4445800 CPU: 14107.9, 0.0031659/step Wall: 14107.9, 0.0031659/step, 0.487373 hours remaining, 241.781250 MB of memory in use. ENERGY: 4445800 3906.7168 20432.6708 14521.0353 249.4668 -204032.9170 2759.0905 0.0000 0.0000 52041.9998 -110121.9369 299.0861 -162163.9367 -109763.6291 297.9443 125.8012 147.3706 760171.3004 3.8278 3.8405 PRESSURE: 4446000 -415.384 276.57 23.6353 276.569 -278.93 86.7321 23.6356 86.7328 -261.602 GPRESSURE: 4446000 -501.881 285.984 54.8586 138.35 -103.974 77.0034 -1.11524 6.59689 -269.459 PRESSAVG: 4446000 -42.5858 -41.0477 -0.0161649 -41.0477 31.9061 19.1091 -0.0161548 19.1092 -36.1961 GPRESSAVG: 4446000 -43.2706 -40.3984 -1.1014 -41.68 32.2536 18.7521 1.67519 19.7006 -35.83 TIMING: 4446000 CPU: 14108.5, 0.00315076/step Wall: 14108.5, 0.00315076/step, 0.484867 hours remaining, 241.781250 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: 4446000 4059.6827 20458.3033 14447.6022 237.5245 -203362.1731 2304.0703 0.0000 0.0000 51852.2772 -110002.7130 297.9957 -161854.9901 -109651.3231 298.3591 -318.6385 -291.7712 760459.7544 -15.6252 -15.6157 PRESSURE: 4446200 -190.817 -422.468 -41.9017 -422.468 124.077 -33.6681 -41.9016 -33.6679 272.747 GPRESSURE: 4446200 -155.363 -365.999 -51.6062 -476.361 140.029 -96.7861 -60.557 -19.5817 286.272 PRESSAVG: 4446200 -21.0848 -0.208627 -21.7745 -0.208662 15.0254 14.2245 -21.7746 14.2245 6.53091 GPRESSAVG: 4446200 -20.52 -0.812241 -19.3286 1.84234 15.623 14.2356 -26.4126 15.4462 4.70965 TIMING: 4446200 CPU: 14109.1, 0.00314355/step Wall: 14109.1, 0.00314355/step, 0.483583 hours remaining, 241.781250 MB of memory in use. ENERGY: 4446200 3939.2587 20668.3991 14512.1992 248.9983 -203871.4907 2686.3387 0.0000 0.0000 52062.8357 -109753.4610 299.2058 -161816.2967 -109387.0018 298.7945 68.6689 90.3125 759745.5774 0.1572 -0.0624 PRESSURE: 4446400 -221.142 -32.5367 -13.4186 -32.5371 -245.36 326.758 -13.4196 326.758 -496.221 GPRESSURE: 4446400 -188.617 -113.955 -135.182 -105.558 -270.577 295.464 21.6167 263.693 -414.567 PRESSAVG: 4446400 -2.94966 -74.1881 -42.906 -74.1881 -25.1695 10.2342 -42.9061 10.2341 21.8799 GPRESSAVG: 4446400 -4.30734 -75.1297 -44.7668 -75.045 -25.8193 10.3464 -38.8466 9.66075 24.4251 TIMING: 4446400 CPU: 14109.7, 0.0031665/step Wall: 14109.7, 0.0031665/step, 0.486937 hours remaining, 241.781250 MB of memory in use. ENERGY: 4446400 4055.9378 20460.0868 14477.2058 231.7135 -203297.4120 2380.9125 0.0000 0.0000 51913.4264 -109778.1292 298.3472 -161691.5556 -109422.0060 298.9748 -320.9076 -291.2536 760552.7962 -2.0798 -1.9005 PRESSURE: 4446600 -2.26172 -17.4441 86.6217 -17.4441 -30.403 -106.575 86.622 -106.576 -145.331 GPRESSURE: 4446600 43.9493 12.712 170.054 -50.6509 11.9611 -46.7227 109.296 -40.6796 -140.91 PRESSAVG: 4446600 1.58393 -59.5136 -0.132605 -59.5136 -9.22849 8.29299 -0.132595 8.29301 6.41588 GPRESSAVG: 4446600 3.02224 -59.4458 2.22388 -58.8781 -8.43979 7.4074 -0.921115 8.72246 4.66914 TIMING: 4446600 CPU: 14110.4, 0.00316607/step Wall: 14110.4, 0.00316607/step, 0.486695 hours remaining, 241.781250 MB of memory in use. ENERGY: 4446600 3990.2937 20408.2696 14491.8045 245.5319 -203460.9411 2558.8396 0.0000 0.0000 51948.8883 -109817.3134 298.5510 -161766.2018 -109454.9853 299.0350 -59.3318 -28.3333 760645.9424 -0.4096 -0.2495 PRESSURE: 4446800 355.178 -16.2041 -45.3045 -16.2038 -120.094 -140.262 -45.3053 -140.263 112.459 GPRESSURE: 4446800 324.591 -41.6424 47.8106 -26.4653 -26.1703 -99.2232 -28.3506 11.593 136.356 PRESSAVG: 4446800 6.45064 -37.2424 26.805 -37.2424 3.77471 12.5461 26.8049 12.546 8.04435 GPRESSAVG: 4446800 6.71231 -36.0056 26.0098 -37.7484 2.77321 14.33 27.2965 12.3287 9.31289 TIMING: 4446800 CPU: 14111, 0.00316283/step Wall: 14111, 0.00316283/step, 0.486021 hours remaining, 241.781250 MB of memory in use. ENERGY: 4446800 3946.9749 20411.6266 14562.3581 249.4210 -203712.9412 2710.0862 0.0000 0.0000 52147.5428 -109684.9316 299.6926 -161832.4744 -109318.2873 299.0260 115.8475 144.9253 760289.3272 6.0899 6.2661 PRESSURE: 4447000 -112.729 -105.23 18.3119 -105.23 228.023 62.7933 18.3112 62.7925 168.919 GPRESSURE: 4447000 -22.9998 -97.5794 10.8203 -161.982 324.348 80.7253 8.69818 23.9542 86.4026 PRESSAVG: 4447000 -6.59952 -30.9053 -3.61807 -30.9054 20.0489 26.6651 -3.61809 26.6651 -1.38778 GPRESSAVG: 4447000 -6.81261 -31.2294 -4.28124 -31.9984 20.9798 27.2416 -2.35987 24.7697 -1.87768 TIMING: 4447000 CPU: 14111.6, 0.00315772/step Wall: 14111.6, 0.00315772/step, 0.485061 hours remaining, 241.781250 MB of memory in use. ENERGY: 4447000 4006.1697 20464.7000 14353.7011 249.0799 -203425.8689 2655.3338 0.0000 0.0000 51991.8510 -109705.0334 298.7979 -161696.8844 -109346.8381 298.7882 94.7375 129.2502 761379.3398 4.0205 4.0965 PRESSURE: 4447200 149.348 58.9974 53.8725 58.9978 269.601 231.947 53.8735 231.946 231.382 GPRESSURE: 4447200 139.342 47.8962 120.058 105.649 293.437 239.961 -86.3503 94.7508 307.563 PRESSAVG: 4447200 -16.1383 9.54498 37.2423 9.54493 -8.87789 -24.3406 37.2424 -24.3407 21.9683 GPRESSAVG: 4447200 -16.0557 8.78902 37.8591 11.2397 -8.76836 -23.5885 36.1545 -24.3237 21.7416 TIMING: 4447200 CPU: 14112.3, 0.00315488/step Wall: 14112.3, 0.00315488/step, 0.48445 hours remaining, 241.781250 MB of memory in use. ENERGY: 4447200 3945.4110 20293.0619 14501.1992 241.5141 -203717.0349 2819.6304 0.0000 0.0000 52296.0232 -109620.1951 300.5460 -161916.2183 -109248.9594 299.3299 216.7770 246.7805 760357.3285 -1.0159 -1.0275 PRESSURE: 4447400 138.502 -91.7639 11.7663 -91.7653 176.306 -222.929 11.7669 -222.928 360.159 GPRESSURE: 4447400 139.355 -147.008 137.026 -127.056 249.967 -221.67 -11.6754 -214.663 341.829 PRESSAVG: 4447400 -7.80637 -66.1669 -20.429 -66.1669 45.5953 42.6745 -20.429 42.6745 -12.3137 GPRESSAVG: 4447400 -8.66195 -66.6918 -19.9792 -66.4952 45.6582 40.8857 -21.6229 44.5039 -12.3613 TIMING: 4447400 CPU: 14112.9, 0.00315363/step Wall: 14112.9, 0.00315363/step, 0.484083 hours remaining, 241.781250 MB of memory in use. ENERGY: 4447400 3971.8234 20679.4345 14420.3429 259.0733 -203638.1371 2690.3770 0.0000 0.0000 52040.3510 -109576.7350 299.0766 -161617.0860 -109212.0681 299.1966 224.9890 243.7172 760869.3640 8.4918 8.2117 PRESSURE: 4447600 82.6624 -28.628 102.322 -28.6278 161.829 -28.95 102.323 -28.9487 -286.456 GPRESSURE: 4447600 97.3625 38.8938 85.5406 -58.1408 238.305 -39.3922 -22.1351 -14.1258 -268.13 PRESSAVG: 4447600 44.4821 -58.0562 2.9329 -58.0562 -49.3192 15.2398 2.93289 15.2399 -1.91614 GPRESSAVG: 4447600 44.9907 -57.4642 2.36794 -60.4478 -49.614 16.8261 3.5324 14.3404 -1.5546 TIMING: 4447600 CPU: 14113.5, 0.00317976/step Wall: 14113.5, 0.00317976/step, 0.487916 hours remaining, 241.781250 MB of memory in use. ENERGY: 4447600 4087.1066 20277.6203 14461.3702 244.5522 -203653.1812 2588.3508 0.0000 0.0000 52274.8654 -109719.3158 300.4244 -161994.1812 -109339.8624 299.1551 -13.9883 22.5127 759476.9807 -2.2511 -2.0593 PRESSURE: 4447800 50.356 23.8473 191.72 23.8475 150.09 -140.862 191.719 -140.862 59.3113 GPRESSURE: 4447800 78.9859 13.6488 220.524 -43.7435 138.41 -111.054 316.962 19.1533 134.395 PRESSAVG: 4447800 27.6243 -54.8306 -14.1571 -54.8305 -22.701 18.9175 -14.1571 18.9174 -4.5404 GPRESSAVG: 4447800 27.314 -55.7766 -13.8679 -52.6909 -22.5434 16.6664 -14.4819 19.5116 -4.45258 TIMING: 4447800 CPU: 14114.2, 0.00315877/step Wall: 14114.2, 0.00315877/step, 0.48452 hours remaining, 241.781250 MB of memory in use. ENERGY: 4447800 4048.1967 20515.2169 14499.8322 237.9024 -203513.7685 2707.9019 0.0000 0.0000 51990.8622 -109513.8562 298.7922 -161504.7184 -109158.3159 299.2318 86.5858 117.2635 759329.7740 0.1276 0.1060 PRESSURE: 4448000 -118.761 227.716 7.06627 227.717 479.398 -68.8185 7.06636 -68.8191 -431.605 GPRESSURE: 4448000 -64.8151 164.497 57.5954 138.478 414.298 -83.5434 -9.44773 72.4451 -348.669 PRESSAVG: 4448000 -3.49492 -86.596 18.9322 -86.596 -19.8968 71.6875 18.9321 71.6875 7.45873 GPRESSAVG: 4448000 -4.37741 -88.4894 19.4662 -86.0963 -19.1943 70.2062 20.6003 74.2966 7.9652 TIMING: 4448000 CPU: 14114.8, 0.00315895/step Wall: 14114.8, 0.00315895/step, 0.484373 hours remaining, 241.781250 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: 4448000 4033.2313 20374.9409 14475.5486 258.9754 -203477.7411 2648.9062 0.0000 0.0000 52268.9127 -109417.2261 300.3902 -161686.1389 -109057.3647 300.1265 -23.6563 0.2713 759745.5878 -5.3110 -5.2022 PRESSURE: 4448200 -363.795 70.5535 -366.532 70.5532 -312.478 321.469 -366.532 321.471 -267.695 GPRESSURE: 4448200 -276.101 -26.8306 -326.245 139.125 -280.558 193.046 -258.824 338.814 -336.41 PRESSAVG: 4448200 2.45185 -22.8071 14.2713 -22.807 17.0542 -24.3772 14.2713 -24.3772 -14.3412 GPRESSAVG: 4448200 4.00539 -22.0404 14.0323 -22.5456 15.6596 -22.2791 14.0205 -27.7454 -15.1335 TIMING: 4448200 CPU: 14115.4, 0.0031671/step Wall: 14115.4, 0.0031671/step, 0.485445 hours remaining, 241.781250 MB of memory in use. ENERGY: 4448200 4062.1315 20555.0788 14552.4098 272.2418 -202732.1456 2011.1328 0.0000 0.0000 51979.4250 -109299.7258 298.7265 -161279.1508 -108939.1629 299.7336 -314.6562 -297.6897 761548.5812 1.7216 1.5105 LDB: ============= START OF LOAD BALANCING ============== 14127.9 LDB: ============== END OF LOAD BALANCING =============== 14127.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14127.9 LDB: ============= START OF LOAD BALANCING ============== 14128.2 LDB: Largest compute 7068 load 0.035101 is 18.0% of average load 0.195447 LDB: Average compute 0.004383 is 2.2% of average load 0.195447 LDB: TIME 14128.2 LOAD: AVG 0.195447 MAX 0.214792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 14128.2 LOAD: AVG 0.195447 MAX 0.214792 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: TIME 14128.2 LOAD: AVG 0.195447 MAX 0.214792 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: ============== END OF LOAD BALANCING =============== 14128.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14128.2 PRESSURE: 4448400 -27.9236 78.1472 176.541 78.1473 -2.6132 26.9453 176.542 26.9462 -73.9632 GPRESSURE: 4448400 36.8418 88.6607 133.42 -1.65045 34.3749 -34.2953 67.6805 21.1531 -101.374 PRESSAVG: 4448400 17.8842 -78.9395 36.6442 -78.9394 -40.0286 52.8998 36.6441 52.8998 -11.357 GPRESSAVG: 4448400 16.0376 -77.1614 36.4998 -82.0247 -38.1048 52.9105 34.5136 52.481 -11.3058 TIMING: 4448400 CPU: 14116.1, 0.00324755/step Wall: 14116.1, 0.00324755/step, 0.497597 hours remaining, 241.320312 MB of memory in use. ENERGY: 4448400 4023.8809 20799.2010 14474.4759 243.3097 -203507.7377 2765.8344 0.0000 0.0000 52035.4857 -109165.5501 299.0487 -161201.0358 -108807.9317 300.0417 -34.8333 -10.0524 760995.3823 -11.1671 -11.1243 PRESSURE: 4448600 61.2143 -164.692 -196.585 -164.691 -14.587 84.8845 -196.584 84.885 35.9681 GPRESSURE: 4448600 161.21 -199.656 -108.962 -214.232 -29.8837 58.4052 -166.22 133.247 20.5355 PRESSAVG: 4448600 51.535 -14.424 -37.981 -14.4241 -42.8037 4.92603 -37.9811 4.92605 13.1204 GPRESSAVG: 4448600 52.6248 -15.399 -37.1815 -10.921 -43.6805 3.93964 -37.8477 5.3701 13.0928 TIMING: 4448600 CPU: 14116.7, 0.00316217/step Wall: 14116.7, 0.00316217/step, 0.484339 hours remaining, 241.781250 MB of memory in use. ENERGY: 4448600 3976.6705 20533.1620 14427.8350 256.6334 -203423.4284 2681.5463 0.0000 0.0000 52164.4815 -109383.0997 299.7900 -161547.5812 -109021.7875 299.9233 27.5318 50.6207 760514.7649 7.2839 7.3457 PRESSURE: 4448800 334.058 12.5349 -66.4132 12.5352 69.6818 -173.278 -66.4138 -173.276 244.732 GPRESSURE: 4448800 307.966 -62.6221 -54.2174 8.17112 104.907 -194.955 29.292 -220.624 314.592 PRESSAVG: 4448800 53.8234 -14.1348 -28.8576 -14.1348 -15.3148 6.07149 -28.8576 6.0716 -2.47999 GPRESSAVG: 4448800 53.9545 -14.8333 -29.0906 -15.8019 -15.1342 6.46965 -27.2992 5.88006 -2.04498 TIMING: 4448800 CPU: 14117.3, 0.00314111/step Wall: 14117.3, 0.00314111/step, 0.480938 hours remaining, 241.781250 MB of memory in use. ENERGY: 4448800 3950.9275 20479.2853 14492.0123 231.9029 -203156.6649 2475.9873 0.0000 0.0000 51988.2014 -109538.3482 298.7769 -161526.5497 -109185.0419 299.2866 216.1572 242.4882 760308.8106 12.0095 12.2585 PRESSURE: 4449000 51.6585 -162.671 175.23 -162.673 40.5083 35.1155 175.231 35.1153 228.419 GPRESSURE: 4449000 82.7292 -155.158 169.445 -90.022 60.4324 8.33914 23.5626 17.1114 260.882 PRESSAVG: 4449000 13.0777 -30.0673 -19.8311 -30.0672 -36.7301 -10.8819 -19.831 -10.8818 39.4752 GPRESSAVG: 4449000 12.4051 -27.1997 -20.6485 -31.8508 -35.9051 -11.4919 -19.8071 -11.3366 39.6199 TIMING: 4449000 CPU: 14118, 0.00317151/step Wall: 14118, 0.00317151/step, 0.485418 hours remaining, 241.781250 MB of memory in use. ENERGY: 4449000 3998.4716 20491.1180 14449.8248 255.3491 -203816.5584 2865.8549 0.0000 0.0000 51931.9703 -109823.9696 298.4537 -161755.9399 -109457.9965 299.0719 106.8620 134.6814 760774.8719 5.2743 5.3733 PRESSURE: 4449200 62.108 64.2642 -327.534 64.2643 -343.939 -104.67 -327.534 -104.67 -449.638 GPRESSURE: 4449200 55.6363 211.791 -301.32 -11.8504 -259.302 -106.007 -267.836 -161.664 -458.366 PRESSAVG: 4449200 68.0964 -48.1834 -65.8948 -48.1835 -70.7301 -16.5506 -65.8949 -16.5507 16.33 GPRESSAVG: 4449200 66.6711 -50.433 -66.9139 -46.1439 -70.0908 -14.9629 -65.8817 -15.6524 16.8026 TIMING: 4449200 CPU: 14118.6, 0.00316692/step Wall: 14118.6, 0.00316692/step, 0.484539 hours remaining, 241.781250 MB of memory in use. ENERGY: 4449200 4047.2158 20502.1738 14441.8936 265.9162 -203269.9539 2182.4300 0.0000 0.0000 51989.8583 -109840.4664 298.7864 -161830.3247 -109482.7489 298.0510 -243.8228 -220.6772 760512.2215 4.5654 4.4610 PRESSURE: 4449400 -208.34 75.7148 78.7427 75.714 149.309 197.125 78.7417 197.125 17.0506 GPRESSURE: 4449400 -197.035 70.9844 38.1257 85.5869 256.889 139.875 194.009 103.675 -40.9906 PRESSAVG: 4449400 57.2232 -35.6102 -37.0644 -35.6102 -45.8082 -39.2101 -37.0644 -39.21 -11.1469 GPRESSAVG: 4449400 58.769 -33.8294 -35.8537 -36.0207 -47.2886 -41.1075 -39.6744 -39.1813 -11.5994 TIMING: 4449400 CPU: 14119.2, 0.00314536/step Wall: 14119.2, 0.00314536/step, 0.481065 hours remaining, 241.781250 MB of memory in use. ENERGY: 4449400 4023.9648 20463.2487 14475.3681 241.8381 -203228.0237 2403.3179 0.0000 0.0000 51803.0294 -109817.2566 297.7127 -161620.2860 -109455.3924 298.4955 -13.9934 6.2878 760539.1795 0.0894 -0.0397 PRESSURE: 4449600 -281.013 -201.028 -48.8365 -201.028 -186.349 -132.064 -48.836 -132.064 -84.8551 GPRESSURE: 4449600 -182.217 -203.5 -81.3314 -195.718 -171 -108.886 -131.956 -82.5481 -128.743 PRESSAVG: 4449600 -14.0641 -49.6512 57.7078 -49.6511 -18.7532 -4.85669 57.7078 -4.85678 1.92097 GPRESSAVG: 4449600 -13.1259 -50.7869 55.5789 -49.2463 -19.2064 -3.39744 60.6427 -5.60547 0.861902 TIMING: 4449600 CPU: 14119.9, 0.00315493/step Wall: 14119.9, 0.00315493/step, 0.482354 hours remaining, 241.781250 MB of memory in use. ENERGY: 4449600 3977.2072 20583.7474 14465.8020 225.2519 -202942.9923 1913.6215 0.0000 0.0000 51986.4137 -109790.9486 298.7666 -161777.3623 -109435.4245 298.7015 -184.0724 -160.6534 760502.7706 -10.2988 -10.4901 PRESSURE: 4449800 319.013 161.237 29.6562 161.237 -225.121 -202.155 29.656 -202.155 -71.8327 GPRESSURE: 4449800 278.014 90.0583 28.714 213.11 -139.164 -138.795 203.6 -251.78 -32.7238 PRESSAVG: 4449800 -15.4374 -6.96278 -25.5367 -6.96276 -16.314 -16.0128 -25.5367 -16.0127 -2.73845 GPRESSAVG: 4449800 -17.3672 -7.68719 -26.0614 -8.59791 -14.8955 -17.3557 -26.2016 -16.8312 -2.07342 TIMING: 4449800 CPU: 14120.5, 0.00316594/step Wall: 14120.5, 0.00316594/step, 0.483862 hours remaining, 241.781250 MB of memory in use. ENERGY: 4449800 3968.7535 20468.9295 14423.9162 253.1393 -203297.5246 2540.0343 0.0000 0.0000 51999.2058 -109643.5459 298.8402 -161642.7518 -109283.6679 299.1603 7.3530 35.3756 760963.8807 -11.4966 -11.4454 PRESSURE: 4450000 433.235 13.2734 154.73 13.2735 179.182 152.07 154.729 152.07 121.168 GPRESSURE: 4450000 499.229 61.7927 146.329 -42.1714 173.867 142.059 44.9245 72.9685 145.453 PRESSAVG: 4450000 31.955 36.9224 13.7878 36.9224 -52.3455 2.71927 13.7878 2.71934 -13.9884 GPRESSAVG: 4450000 32.4971 39.0506 15.0972 38.1734 -53.2704 2.96958 12.9656 3.43729 -13.9285 TIMING: 4450000 CPU: 14121.1, 0.00314199/step Wall: 14121.1, 0.00314199/step, 0.480026 hours remaining, 241.781250 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: 4450000 3937.6352 20485.2279 14423.2852 251.2211 -203001.3951 2204.5646 0.0000 0.0000 52134.5877 -109564.8734 299.6182 -161699.4611 -109207.2466 299.2206 244.5280 272.8495 758877.1521 -11.4596 -11.5673 PRESSURE: 4450200 -31.4806 -23.906 -90.4429 -23.907 86.9735 77.7559 -90.4427 77.7558 84.9308 GPRESSURE: 4450200 -37.0327 -151.019 -167.051 -45.1221 149.435 85.2292 65.7098 169.793 128.918 PRESSAVG: 4450200 30.6301 38.3852 -8.55741 38.3852 -10.4993 54.7895 -8.55741 54.7895 11.7004 GPRESSAVG: 4450200 30.9078 34.667 -7.69876 38.2318 -10.5445 55.2085 -8.14105 54.0372 11.6171 TIMING: 4450200 CPU: 14121.8, 0.00314719/step Wall: 14121.8, 0.00314719/step, 0.480646 hours remaining, 241.781250 MB of memory in use. ENERGY: 4450200 4014.7356 20618.9252 14394.7434 247.3097 -203774.4329 2913.6846 0.0000 0.0000 52119.3282 -109465.7062 299.5305 -161585.0343 -109118.1556 299.5024 46.8079 80.4401 761374.7637 10.6104 10.6601 PRESSURE: 4450400 478.746 -11.2445 125.049 -11.2441 164.036 186.312 125.049 186.313 331.661 GPRESSURE: 4450400 460.007 73.7993 56.7395 -66.0769 220.556 231.335 129.703 96.1904 366.878 PRESSAVG: 4450400 23.0278 6.10414 -9.84699 6.10414 -3.25138 55.2921 -9.84701 55.2922 -16.7627 GPRESSAVG: 4450400 24.2053 7.86824 -9.18373 5.56596 -3.46126 55.642 -10.5424 54.7944 -17.4143 TIMING: 4450400 CPU: 14122.4, 0.0031307/step Wall: 14122.4, 0.0031307/step, 0.477954 hours remaining, 241.781250 MB of memory in use. ENERGY: 4450400 3982.7526 20345.4411 14414.5831 245.0798 -203443.6517 2910.0872 0.0000 0.0000 52083.5391 -109462.1689 299.3248 -161545.7080 -109098.3706 299.6346 324.8143 349.1466 760735.7560 1.0046 1.1099 PRESSURE: 4450600 171.712 199.62 77.8598 199.62 192.737 161.069 77.8597 161.069 312.196 GPRESSURE: 4450600 198.099 91.5948 20.3001 307.332 270.756 160.786 140.134 124.624 282.557 PRESSAVG: 4450600 -21.4532 -25.6669 10.1481 -25.6669 -9.65125 -36.6329 10.1482 -36.6328 25.1483 GPRESSAVG: 4450600 -23.2197 -27.1634 8.22562 -23.8503 -9.19513 -36.2024 11.7429 -35.3021 26.0585 TIMING: 4450600 CPU: 14123, 0.00316631/step Wall: 14123, 0.00316631/step, 0.483215 hours remaining, 241.781250 MB of memory in use. ENERGY: 4450600 4011.4620 20401.3231 14405.6775 229.7320 -203310.8700 2672.9322 0.0000 0.0000 52166.4535 -109423.2897 299.8013 -161589.7432 -109050.7568 299.3637 225.5481 250.4707 760937.9923 -1.9854 -2.1188 PRESSURE: 4450800 143.518 120.302 -7.87689 120.302 71.2589 10.6461 -7.87634 10.6452 196.944 GPRESSURE: 4450800 163.118 122.115 -33.8387 54.1553 61.8071 -4.78942 -130.364 183.275 251.381 PRESSAVG: 4450800 19.0318 6.85206 28.7512 6.85206 10.1384 -36.282 28.7512 -36.282 25.69 GPRESSAVG: 4450800 20.2007 8.03269 30.1912 6.51301 9.59088 -37.0638 25.1807 -35.3956 24.9111 TIMING: 4450800 CPU: 14123.7, 0.00316054/step Wall: 14123.7, 0.00316054/step, 0.482159 hours remaining, 241.781250 MB of memory in use. ENERGY: 4450800 4038.3595 20399.2611 14479.9165 239.5692 -203004.8421 2512.0906 0.0000 0.0000 52173.1157 -109162.5296 299.8396 -161335.6453 -108800.3729 300.5160 137.2403 158.7687 761316.7300 18.2867 18.2342 PRESSURE: 4451000 -371.455 25.9757 217.164 25.9759 -445.934 210.747 217.164 210.746 117.015 GPRESSURE: 4451000 -359.402 -85.9594 180.987 -65.4783 -416.095 255.831 213.177 158.036 164.267 PRESSAVG: 4451000 -29.6111 -22.9743 28.8643 -22.9743 31.7678 22.6167 28.8643 22.6166 -20.3715 GPRESSAVG: 4451000 -29.3821 -20.5042 28.4188 -24.7836 31.1843 23.5519 30.1079 23.2289 -19.938 TIMING: 4451000 CPU: 14124.3, 0.00314786/step Wall: 14124.3, 0.00314786/step, 0.480049 hours remaining, 241.781250 MB of memory in use. ENERGY: 4451000 4017.4833 20685.3106 14521.7285 241.4509 -203292.7199 2243.3958 0.0000 0.0000 52308.4532 -109274.8975 300.6174 -161583.3507 -108913.7974 300.4451 -233.4582 -203.7434 761492.0372 -6.0716 -6.0453 PRESSURE: 4451200 -454.769 -5.73958 151.887 -5.73866 -293.58 160.401 151.887 160.401 -346.747 GPRESSURE: 4451200 -427.057 -22.9351 214.2 -65.9966 -246.323 175.94 202.581 149.581 -331.29 PRESSAVG: 4451200 -0.425599 -38.7384 7.25303 -38.7384 29.0394 22.4354 7.25301 22.4355 -19.8752 GPRESSAVG: 4451200 -2.66518 -40.1628 6.19198 -38.4663 29.5305 20.9488 8.46945 20.5309 -18.7085 TIMING: 4451200 CPU: 14124.9, 0.00317158/step Wall: 14124.9, 0.00317158/step, 0.48349 hours remaining, 241.781250 MB of memory in use. ENERGY: 4451200 4029.2223 20579.4780 14514.3755 251.5833 -203484.2181 2401.4778 0.0000 0.0000 52289.6852 -109418.3960 300.5095 -161708.0812 -109059.5994 300.3271 -365.0319 -334.8899 760369.4407 2.9129 2.7189 PRESSURE: 4451400 -348.066 -136.551 -226.842 -136.551 -147.083 -371.425 -226.842 -371.426 533.467 GPRESSURE: 4451400 -366.471 -169.606 -165.419 -190.909 -85.3341 -396.446 -233.825 -410.635 567.499 PRESSAVG: 4451400 -28.7851 -82.9648 2.58732 -82.9648 15.1076 18.6349 2.5873 18.6349 26.177 GPRESSAVG: 4451400 -28.4127 -82.7917 2.79668 -81.5504 16.6719 20.5328 0.292178 17.0582 24.2565 TIMING: 4451400 CPU: 14125.6, 0.00318271/step Wall: 14125.6, 0.00318271/step, 0.48501 hours remaining, 241.781250 MB of memory in use. ENERGY: 4451400 3997.5262 20506.3990 14400.3152 231.3531 -203420.9486 2520.2113 0.0000 0.0000 52221.9214 -109543.2224 300.1201 -161765.1438 -109183.6138 299.8551 12.7725 38.5646 761321.8201 4.1665 4.1719 PRESSURE: 4451600 -12.1809 36.3232 -169.126 36.3229 138.583 176.889 -169.127 176.889 -155.898 GPRESSURE: 4451600 114.036 67.6068 -154.612 5.99559 151.414 182.247 -105.016 82.0571 -212.683 PRESSAVG: 4451600 2.58079 -67.2007 43.1769 -67.2006 -11.7802 26.3999 43.177 26.4 -20.7901 GPRESSAVG: 4451600 2.24283 -70.2705 41.8936 -67.5754 -13.1865 25.4944 45.7074 28.5446 -19.5521 TIMING: 4451600 CPU: 14126.2, 0.0031657/step Wall: 14126.2, 0.0031657/step, 0.482242 hours remaining, 241.781250 MB of memory in use. ENERGY: 4451600 4032.7736 20574.5850 14450.4703 247.4803 -203493.2467 2621.8992 0.0000 0.0000 52007.0892 -109558.9491 298.8855 -161566.0384 -109204.4872 299.3079 -9.8320 17.5892 760894.2131 -9.9965 -10.1653 PRESSURE: 4451800 322.808 -245.846 63.8348 -245.846 341.822 195.147 63.8342 195.147 194.097 GPRESSURE: 4451800 411.069 -259.684 26.5963 -337.289 406.777 209.072 -17.2087 155.298 111.949 PRESSAVG: 4451800 52.9849 -95.0912 30.1176 -95.0912 -11.876 35.5539 30.1175 35.554 -21.8542 GPRESSAVG: 4451800 53.1739 -93.0907 30.617 -94.5559 -12.9553 33.4164 30.1258 35.6177 -21.4288 TIMING: 4451800 CPU: 14126.8, 0.00317357/step Wall: 14126.8, 0.00317357/step, 0.483264 hours remaining, 241.781250 MB of memory in use. ENERGY: 4451800 3978.7782 20611.4149 14396.1990 256.4938 -203698.9769 2692.7607 0.0000 0.0000 52129.1048 -109634.2257 299.5867 -161763.3305 -109281.4361 299.6263 286.2423 309.9313 759835.8030 6.4183 6.2632 PRESSURE: 4452000 91.6786 -10.1036 -67.1586 -10.1039 -245.921 -73.237 -67.1583 -73.2369 445.714 GPRESSURE: 4452000 69.901 27.4692 -48.5115 -6.8893 -164.82 -9.7844 -27.2362 -289.211 462.164 PRESSAVG: 4452000 46.0414 -37.3063 0.662989 -37.3063 -4.60186 26.9331 0.663 26.9332 7.71641 GPRESSAVG: 4452000 45.5722 -36.4161 -0.409299 -37.5892 -3.90829 29.0081 0.449097 26.9246 7.63652 TIMING: 4452000 CPU: 14127.5, 0.00314752/step Wall: 14127.5, 0.00314752/step, 0.479122 hours remaining, 241.781250 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: 4452000 3944.9035 20507.0555 14476.1429 249.3315 -203883.5840 2830.1920 0.0000 0.0000 52418.5671 -109457.3915 301.2502 -161875.9585 -109095.2353 299.3226 97.1573 122.4148 759180.0692 16.3853 16.4335 PRESSURE: 4452200 308.242 6.43829 72.946 6.43948 -46.4913 -162.45 72.9467 -162.449 208.976 GPRESSURE: 4452200 332.912 -71.4351 72.1953 -8.67811 -17.2804 -121.044 143.415 -186.787 236.483 PRESSAVG: 4452200 51.5557 -13.9351 17.7609 -13.9351 -51.2054 50.024 17.761 50.024 -10.2991 GPRESSAVG: 4452200 52.1364 -14.0119 19.1018 -15.4492 -51.274 50.0304 18.2145 48.4464 -10.7315 TIMING: 4452200 CPU: 14128.1, 0.00315802/step Wall: 14128.1, 0.00315802/step, 0.480545 hours remaining, 241.781250 MB of memory in use. ENERGY: 4452200 3984.5433 20641.9338 14456.0378 217.8864 -203652.4670 2731.2190 0.0000 0.0000 52108.9819 -109511.8649 299.4710 -161620.8468 -109150.2506 299.5553 156.9089 184.0382 759882.3803 -3.3163 -3.2897 LDB: ============= START OF LOAD BALANCING ============== 14140.5 LDB: ============== END OF LOAD BALANCING =============== 14140.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14140.5 LDB: ============= START OF LOAD BALANCING ============== 14140.9 LDB: Largest compute 7060 load 0.034276 is 17.5% of average load 0.195496 LDB: Average compute 0.004389 is 2.2% of average load 0.195496 LDB: TIME 14140.9 LOAD: AVG 0.195496 MAX 0.215728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 14140.9 LOAD: AVG 0.195496 MAX 0.215728 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: TIME 14140.9 LOAD: AVG 0.195496 MAX 0.215728 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.809 MB LDB: ============== END OF LOAD BALANCING =============== 14140.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14140.9 PRESSURE: 4452400 110.274 -48.6992 96.919 -48.6995 111.205 85.0257 96.919 85.0268 400.447 GPRESSURE: 4452400 190.826 52.8371 137.685 149.969 214.771 15.5941 -69.658 42.8054 334.434 PRESSAVG: 4452400 42.6135 -32.5595 -33.9425 -32.5595 -27.9764 9.03945 -33.9424 9.03943 13.0045 GPRESSAVG: 4452400 42.3237 -33.1693 -33.785 -30.1058 -28.3674 9.25119 -35.4776 10.614 14.015 TIMING: 4452400 CPU: 14128.7, 0.00321338/step Wall: 14128.7, 0.00321338/step, 0.48879 hours remaining, 239.835938 MB of memory in use. ENERGY: 4452400 3912.7121 20651.9582 14510.6922 245.7024 -203873.1003 2814.9436 0.0000 0.0000 52298.7337 -109438.3582 300.5615 -161737.0918 -109080.7124 299.6126 207.3083 246.6771 758946.1785 9.2139 9.3238 PRESSURE: 4452600 -65.9682 -60.0763 265.481 -60.0761 -278.437 -223.246 265.481 -223.246 -115.878 GPRESSURE: 4452600 16.6821 -105.67 221.968 -46.5473 -250.514 -261.593 128.5 -55.1653 -138.225 PRESSAVG: 4452600 4.22694 -40.6421 60.1948 -40.6421 17.0216 40.4768 60.1949 40.4768 1.13041 GPRESSAVG: 4452600 4.51893 -41.2912 60.3843 -41.4443 18.1047 40.1445 58.075 39.4797 -0.166061 TIMING: 4452600 CPU: 14129.4, 0.00314838/step Wall: 14129.4, 0.00314838/step, 0.478729 hours remaining, 239.835938 MB of memory in use. ENERGY: 4452600 4087.0848 20597.4075 14471.2796 226.4023 -203586.4821 2665.0272 0.0000 0.0000 52088.8358 -109450.4448 299.3553 -161539.2807 -109092.5922 300.1082 -153.4280 -124.0191 758376.9047 7.4597 7.4859 PRESSURE: 4452800 -190.047 34.3049 78.4114 34.3042 16.6732 -107.118 78.4108 -107.119 54.3726 GPRESSURE: 4452800 -84.0229 68.2125 65.0478 40.0952 17.9819 -75.9609 162.958 -144.933 11.7275 PRESSAVG: 4452800 60.8761 -0.867414 25.7538 -0.867379 -45.7114 33.5405 25.7538 33.5405 16.1213 GPRESSAVG: 4452800 62.1312 0.580062 24.2378 -1.07634 -47.3657 32.5602 28.7398 34.1059 16.3822 TIMING: 4452800 CPU: 14130, 0.00316177/step Wall: 14130, 0.00316177/step, 0.480589 hours remaining, 239.835938 MB of memory in use. ENERGY: 4452800 3954.1134 20632.1351 14394.8965 237.7705 -203489.1136 2600.4686 0.0000 0.0000 52141.0239 -109528.7056 299.6552 -161669.7295 -109159.6988 300.0124 -39.6670 -18.1045 761364.6505 10.4287 10.3826 PRESSURE: 4453000 -21.9901 104.723 -135.84 104.723 -201.712 7.60106 -135.84 7.60158 -326.87 GPRESSURE: 4453000 -105.769 159.768 -176.956 56.3635 -40.0093 -6.24034 -195.893 47.2134 -322.53 PRESSAVG: 4453000 -14.3648 -21.1561 23.3733 -21.1562 -10.1344 5.98382 23.3733 5.98386 10.3297 GPRESSAVG: 4453000 -16.2844 -20.6088 26.1213 -23.1112 -7.74715 6.29186 20.6345 5.26406 10.5456 TIMING: 4453000 CPU: 14130.6, 0.00314553/step Wall: 14130.6, 0.00314554/step, 0.477947 hours remaining, 239.835938 MB of memory in use. ENERGY: 4453000 3999.7029 20613.3186 14471.6135 237.7216 -203244.7223 2533.0167 0.0000 0.0000 51912.8374 -109476.5116 298.3438 -161389.3489 -109105.1361 299.2872 -183.5238 -156.1029 762515.6847 -4.7232 -4.4953 PRESSURE: 4453200 -184.502 -133.571 -274.595 -133.572 -95.5564 -2.24875 -274.594 -2.24909 95.0994 GPRESSURE: 4453200 -241.002 -195.417 -287.364 -118.164 66.7437 -46.8655 -194.885 -27.329 67.7286 PRESSAVG: 4453200 21.4792 -53.0385 -21.5884 -53.0385 -40.6873 -18.8603 -21.5884 -18.8602 -19.3246 GPRESSAVG: 4453200 23.1373 -55.4326 -23.7074 -51.9623 -42.2218 -19.3917 -19.8832 -18.8537 -19.2922 TIMING: 4453200 CPU: 14131.3, 0.00316366/step Wall: 14131.3, 0.00316366/step, 0.480525 hours remaining, 239.835938 MB of memory in use. ENERGY: 4453200 4046.2570 20623.7834 14387.3100 248.9142 -203429.4492 2749.0434 0.0000 0.0000 52013.9517 -109360.1895 298.9249 -161374.1412 -109006.8199 299.8548 -61.6531 -35.5097 761417.0536 -12.8442 -12.7922 PRESSURE: 4453400 -80.2951 -36.5978 -247.549 -36.5976 -156.27 -73.6228 -247.548 -73.6235 -401.962 GPRESSURE: 4453400 -71.7268 -48.1528 -260.776 3.08146 -175.605 20.906 -237.459 101.316 -316.942 PRESSAVG: 4453400 8.95769 -68.2028 -23.703 -68.2028 23.0436 -13.4107 -23.703 -13.4108 5.89283 GPRESSAVG: 4453400 7.37135 -65.9529 -22.347 -69.1062 23.7741 -12.7877 -24.2307 -12.3079 6.71817 TIMING: 4453400 CPU: 14131.9, 0.00317406/step Wall: 14131.9, 0.00317406/step, 0.481928 hours remaining, 239.835938 MB of memory in use. ENERGY: 4453400 4006.5127 20723.9391 14520.6816 242.6205 -203537.3230 2538.8006 0.0000 0.0000 52160.7458 -109344.0227 299.7685 -161504.7685 -108986.7672 300.0018 -212.8423 -188.0913 760365.3668 12.6314 12.6212 PRESSURE: 4453600 -357.216 -40.81 48.1992 -40.81 165.561 217.39 48.199 217.39 325.973 GPRESSURE: 4453600 -292.382 -165.263 -23.5934 -92.8339 182.138 202.742 115.151 119.222 328.174 PRESSAVG: 4453600 -48.9782 -91.8955 -19.1057 -91.8956 20.1398 1.77073 -19.1057 1.7707 -12.2889 GPRESSAVG: 4453600 -47.6001 -94.0785 -19.2674 -91.0684 18.3566 0.972969 -19.7352 0.944826 -11.6012 TIMING: 4453600 CPU: 14132.5, 0.00316141/step Wall: 14132.5, 0.00316141/step, 0.479831 hours remaining, 239.835938 MB of memory in use. ENERGY: 4453600 3972.2225 20569.9164 14464.3061 234.1163 -203621.9312 2604.3731 0.0000 0.0000 52337.9789 -109439.0179 300.7871 -161776.9968 -109071.1769 299.8745 44.7727 72.6434 761591.5618 -13.7091 -13.6149 PRESSURE: 4453800 -194.653 176.241 164.16 176.241 -326.393 4.11498 164.16 4.11424 -271.709 GPRESSURE: 4453800 -256.821 226.109 49.0809 125.087 -225.05 -42.0116 132.452 -18.8188 -245.802 PRESSAVG: 4453800 5.15381 -10.9389 -15.7656 -10.9389 4.71032 -32.2371 -15.7656 -32.2371 -20.6807 GPRESSAVG: 4453800 3.89176 -9.97608 -16.8949 -10.509 7.32306 -32.0434 -16.0586 -32.6236 -21.6925 TIMING: 4453800 CPU: 14133.2, 0.00314461/step Wall: 14133.2, 0.00314461/step, 0.477107 hours remaining, 239.835938 MB of memory in use. ENERGY: 4453800 3920.6582 20612.7846 14408.7431 253.5927 -203061.3301 2178.3197 0.0000 0.0000 52194.9532 -109492.2787 299.9651 -161687.2319 -109124.2664 299.3340 -264.2513 -242.5577 761828.9924 -3.6055 -3.4926 PRESSURE: 4454000 -163.386 183.811 -204.799 183.812 -18.6145 105.786 -204.799 105.786 -42.8252 GPRESSURE: 4454000 -54.1865 128.784 -140.206 26.3029 -34.4921 72.1158 -78.9275 242.228 -34.2559 PRESSAVG: 4454000 -38.9779 -89.6951 -36.4262 -89.695 55.1695 -24.6982 -36.4262 -24.6982 29.7245 GPRESSAVG: 4454000 -38.3773 -90.7095 -36.1256 -90.5832 54.8776 -25.4786 -33.7551 -24.0998 29.9821 TIMING: 4454000 CPU: 14133.8, 0.00314078/step Wall: 14133.8, 0.00314078/step, 0.476351 hours remaining, 239.835938 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: 4454000 3955.9634 20606.3693 14350.8322 253.6391 -203536.1374 2744.2983 0.0000 0.0000 52051.9164 -109573.1186 299.1431 -161625.0350 -109201.0049 299.3259 -74.9420 -40.9782 759515.9061 15.3053 15.4941 PRESSURE: 4454200 295.228 -133.749 -33.2785 -133.749 -262.51 -242.12 -33.2793 -242.121 -83.5966 GPRESSURE: 4454200 303.235 -105.397 -6.34533 -100.772 -154.624 -249.479 -42.2137 -122.469 -102.557 PRESSAVG: 4454200 51.9845 -64.4616 4.68319 -64.4615 -22.6333 -36.544 4.68316 -36.544 22.5415 GPRESSAVG: 4454200 52.0008 -62.692 5.18641 -63.4285 -22.6321 -34.9113 3.40083 -36.391 22.3158 TIMING: 4454200 CPU: 14134.4, 0.00315748/step Wall: 14134.4, 0.00315748/step, 0.478709 hours remaining, 239.835938 MB of memory in use. ENERGY: 4454200 4024.9124 20456.4702 14496.3026 270.8546 -203441.2413 2646.0663 0.0000 0.0000 52149.3397 -109397.2955 299.7030 -161546.6352 -109042.3543 299.4509 -16.9593 15.3515 761047.4487 17.2976 17.2282 PRESSURE: 4454400 -386.464 -29.3093 -241.49 -29.3094 -66.5616 33.1427 -241.49 33.1434 9.79914 GPRESSURE: 4454400 -345.485 -57.2269 -206.576 31.7803 -31.0718 21.9409 -235.82 -58.5877 29.9448 PRESSAVG: 4454400 17.3968 -50.5088 67.0359 -50.5088 5.31839 -40.7355 67.0359 -40.7354 10.5887 GPRESSAVG: 4454400 17.0448 -49.6983 65.4381 -50.3612 5.34166 -41.0858 68.5674 -42.6168 11.0409 TIMING: 4454400 CPU: 14135, 0.00317259/step Wall: 14135, 0.00317259/step, 0.480824 hours remaining, 239.835938 MB of memory in use. ENERGY: 4454400 4009.3898 20539.5260 14509.7784 273.0502 -203518.4076 2472.5620 0.0000 0.0000 52205.5985 -109508.5027 300.0263 -161714.1012 -109150.6059 299.6555 -147.7420 -115.5373 762344.1257 11.1013 11.1425 PRESSURE: 4454600 353.968 118.999 -141.522 118.998 -12.9194 175.353 -141.522 175.353 23.6072 GPRESSURE: 4454600 300.864 82.3299 -140.879 39.3949 104.267 169.432 -148.085 168.165 40.9083 PRESSAVG: 4454600 8.60911 -44.1304 -28.1147 -44.1304 -10.1593 12.9737 -28.1147 12.9738 -0.119318 GPRESSAVG: 4454600 9.9386 -46.3165 -27.0631 -45.6173 -10.8982 13.3641 -28.0896 14.8391 -0.490405 TIMING: 4454600 CPU: 14135.7, 0.00317325/step Wall: 14135.7, 0.00317325/step, 0.480748 hours remaining, 239.835938 MB of memory in use. ENERGY: 4454600 4019.7853 20551.9206 14417.7584 246.4630 -203493.6095 2668.4466 0.0000 0.0000 52177.3129 -109411.9227 299.8637 -161589.2356 -109053.3420 299.8941 121.5521 148.6799 761172.5207 -0.5565 -0.4833 PRESSURE: 4454800 270.799 118.022 144.764 118.022 148.212 -3.3946 144.763 -3.39368 186.773 GPRESSURE: 4454800 269.971 104.893 83.0867 180.113 157.246 -52.9 179.094 15.034 265.371 PRESSAVG: 4454800 4.20744 -41.9673 17.8569 -41.9672 26.5582 -10.8099 17.8569 -10.8099 4.22434 GPRESSAVG: 4454800 3.82293 -38.9117 16.9917 -41.134 26.2513 -11.9404 17.5224 -9.08615 4.46918 TIMING: 4454800 CPU: 14136.3, 0.003151/step Wall: 14136.3, 0.003151/step, 0.477201 hours remaining, 239.835938 MB of memory in use. ENERGY: 4454800 3991.8095 20665.2236 14451.6079 248.3656 -203280.8097 2468.1745 0.0000 0.0000 52176.8742 -109278.7544 299.8612 -161455.6286 -108922.1401 299.9116 201.9279 230.8627 759937.7014 11.6633 11.5145 PRESSURE: 4455000 531.645 94.1766 82.6407 94.1762 295.528 -120.521 82.6398 -120.521 -43.9116 GPRESSURE: 4455000 556.031 63.7096 52.6233 63.9255 311.241 -100.763 54.9166 -214.411 -27.7986 PRESSAVG: 4455000 -24.1298 -41.088 -22.6164 -41.088 -4.77687 -28.7093 -22.6163 -28.7093 -0.914338 GPRESSAVG: 4455000 -25.8521 -42.225 -21.777 -41.2918 -3.14369 -28.2993 -22.6448 -30.1454 -1.2691 TIMING: 4455000 CPU: 14136.9, 0.00314604/step Wall: 14136.9, 0.00314604/step, 0.476275 hours remaining, 239.835938 MB of memory in use. ENERGY: 4455000 3945.5229 20638.0466 14351.4921 260.9117 -203394.8518 2681.6720 0.0000 0.0000 52070.0878 -109447.1186 299.2475 -161517.2064 -109090.7104 299.7758 261.0871 279.8245 760605.9622 -9.9403 -10.0883 PRESSURE: 4455200 74.6564 6.80897 -79.2559 6.8091 41.8972 -97.1118 -79.2565 -97.1118 366.17 GPRESSURE: 4455200 106.432 116.934 -70.3956 -55.7824 146.33 -180.4 -70.3527 -16.2919 321.172 PRESSAVG: 4455200 61.1561 -58.3243 -63.3143 -58.3244 -53.2931 -12.3311 -63.3143 -12.331 -6.77382 GPRESSAVG: 4455200 61.457 -60.7598 -63.7965 -57.2003 -55.8149 -12.0055 -64.1992 -13.2032 -5.07712 TIMING: 4455200 CPU: 14137.6, 0.00315642/step Wall: 14137.6, 0.00315642/step, 0.477672 hours remaining, 239.835938 MB of memory in use. ENERGY: 4455200 3990.8398 20512.4490 14446.9956 235.5090 -203665.1424 2726.2623 0.0000 0.0000 52330.9278 -109422.1590 300.7466 -161753.0868 -109065.7730 299.8641 160.9080 191.3112 759683.7917 0.3631 0.1883 PRESSURE: 4455400 -103.029 -64.0535 29.9133 -64.0532 -355.884 -193.723 29.913 -193.723 -150.098 GPRESSURE: 4455400 -2.43159 -100.579 -11.0283 -95.7515 -349.737 -192.372 121.574 -64.6757 -149.398 PRESSAVG: 4455400 51.1071 -38.0176 -1.56293 -38.0175 -62.4324 0.126444 -1.5629 0.126368 11.8077 GPRESSAVG: 4455400 51.5816 -37.2602 -0.699226 -39.677 -61.077 -1.39112 -1.88412 2.16464 10.3212 TIMING: 4455400 CPU: 14138.2, 0.00317045/step Wall: 14138.2, 0.00317045/step, 0.479619 hours remaining, 239.835938 MB of memory in use. ENERGY: 4455400 4064.6464 20598.2885 14434.0208 231.5004 -203301.6243 2510.7694 0.0000 0.0000 51948.7617 -109513.6372 298.5502 -161462.3989 -109145.8444 299.8523 -203.0034 -167.1890 760874.7694 0.1608 0.2753 PRESSURE: 4455600 -4.6785 92.1281 251.668 92.129 24.9144 255.964 251.668 255.964 181.05 GPRESSURE: 4455600 127.249 27.9426 297.078 21.6796 -0.543162 213.085 114.703 126.723 153.081 PRESSAVG: 4455600 -2.12903 -47.2826 -8.36249 -47.2826 4.30849 28.306 -8.36252 28.306 -9.34741 GPRESSAVG: 4455600 -1.85518 -46.4988 -7.76625 -48.0215 4.10536 29.7886 -8.34159 25.7906 -9.79565 TIMING: 4455600 CPU: 14138.8, 0.00316414/step Wall: 14138.8, 0.00316414/step, 0.478488 hours remaining, 239.835938 MB of memory in use. ENERGY: 4455600 4001.2676 20498.0643 14449.6131 236.3361 -203456.5166 2565.1607 0.0000 0.0000 52269.1179 -109436.9568 300.3913 -161706.0747 -109074.6389 299.8047 67.0952 93.2624 760105.7501 -2.3893 -2.5152 PRESSURE: 4455800 -8.51112 27.2646 90.1402 27.2647 -21.4088 140.156 90.1409 140.156 -437.986 GPRESSURE: 4455800 73.05 150.09 19.5841 111.387 -22.2485 245.046 43.4626 64.1818 -459.395 PRESSAVG: 4455800 -3.26833 -40.8355 -40.072 -40.8354 -29.2611 -3.9612 -40.0719 -3.96116 11.1904 GPRESSAVG: 4455800 -3.53745 -40.8266 -41.3173 -38.3285 -30.2438 -5.49815 -39.9981 -2.51189 11.657 TIMING: 4455800 CPU: 14139.5, 0.00316322/step Wall: 14139.5, 0.00316322/step, 0.478173 hours remaining, 239.835938 MB of memory in use. ENERGY: 4455800 4035.5840 20676.0734 14425.7350 255.7008 -203714.2474 2621.2587 0.0000 0.0000 52271.0139 -109428.8818 300.4022 -161699.8956 -109058.4088 300.2105 -155.9686 -136.1978 760750.1869 -7.1130 -7.3748 PRESSURE: 4456000 -71.1958 -239.388 2.71988 -239.388 -98.9353 -31.4276 2.71946 -31.4274 -124.768 GPRESSURE: 4456000 -124.364 -270.363 -67.5364 -304.863 14.8299 -9.25114 152.946 14.4803 -129.937 PRESSAVG: 4456000 14.2563 -7.62128 12.492 -7.62132 -22.2247 29.1334 12.492 29.1334 7.10245 GPRESSAVG: 4456000 14.5155 -6.9862 11.5871 -6.82161 -22.9332 31.1878 12.8563 29.5659 7.16132 TIMING: 4456000 CPU: 14140.1, 0.00315856/step Wall: 14140.1, 0.00315856/step, 0.477294 hours remaining, 239.835938 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: 4456000 4014.1591 20696.7845 14476.3242 257.1092 -203445.7515 2577.5352 0.0000 0.0000 51730.4850 -109693.3544 297.2958 -161423.8393 -109333.8502 299.6053 -98.2996 -79.8238 759501.3152 -0.2887 -0.4188 PRESSURE: 4456200 -46.3944 -40.2172 -74.4738 -40.2174 -208.097 -64.2219 -74.4727 -64.2215 -131.683 GPRESSURE: 4456200 -59.1765 -78.7298 -0.800771 105.411 -130.639 34.684 -84.9958 -7.61997 -135.858 PRESSAVG: 4456200 31.8349 17.0025 -8.71635 17.0025 -13.6089 19.562 -8.71632 19.562 3.84277 GPRESSAVG: 4456200 30.7595 16.9556 -8.11337 15.127 -12.1055 21.4236 -7.77512 19.7756 3.37441 TIMING: 4456200 CPU: 14140.7, 0.00315537/step Wall: 14140.7, 0.00315537/step, 0.476636 hours remaining, 239.835938 MB of memory in use. ENERGY: 4456200 3924.0886 20673.5629 14414.7224 250.4712 -203435.4972 2382.9317 0.0000 0.0000 52238.6032 -109551.1172 300.2160 -161789.7204 -109196.6328 299.3542 -128.7247 -108.5578 760896.3749 7.3562 7.3428 LDB: ============= START OF LOAD BALANCING ============== 14153.2 LDB: ============== END OF LOAD BALANCING =============== 14153.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14153.2 LDB: ============= START OF LOAD BALANCING ============== 14153.5 LDB: Largest compute 7059 load 0.033400 is 17.1% of average load 0.195488 LDB: Average compute 0.004377 is 2.2% of average load 0.195488 LDB: TIME 14153.5 LOAD: AVG 0.195488 MAX 0.218783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.609 MB LDB: TIME 14153.5 LOAD: AVG 0.195488 MAX 0.218783 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.613 MB LDB: TIME 14153.5 LOAD: AVG 0.195488 MAX 0.217446 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.613 MB LDB: ============== END OF LOAD BALANCING =============== 14153.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14153.5 PRESSURE: 4456400 -522.688 -58.4053 -141.249 -58.4056 -402.306 52.6436 -141.248 52.6441 -413.822 GPRESSURE: 4456400 -477.226 -6.50425 -170.788 2.44619 -368.582 68.8004 -43.3629 8.90135 -427.358 PRESSAVG: 4456400 -16.2994 7.4252 -15.8446 7.42525 -12.1334 0.587681 -15.8446 0.587601 -17.4777 GPRESSAVG: 4456400 -15.8461 7.20425 -15.9699 9.9717 -12.5248 -1.1434 -15.8929 -1.88744 -17.2422 TIMING: 4456400 CPU: 14141.4, 0.00322568/step Wall: 14141.4, 0.00322568/step, 0.487078 hours remaining, 240.808594 MB of memory in use. ENERGY: 4456400 4077.4766 20540.0898 14406.0055 246.3512 -203485.5569 2511.6817 0.0000 0.0000 52291.1563 -109412.7958 300.5180 -161703.9521 -109059.9776 299.4466 -446.2721 -424.3886 760846.9728 -15.3035 -15.2044 PRESSURE: 4456600 24.17 -26.0792 -25.7181 -26.079 -167.215 -157.919 -25.7186 -157.919 -212.096 GPRESSURE: 4456600 177.782 -129.712 7.44173 117.792 -251.198 -131.206 -91.4609 -61.7426 -207.61 PRESSAVG: 4456600 50.7326 -22.4255 2.30825 -22.4255 -83.3759 -26.4968 2.30829 -26.4968 -16.7166 GPRESSAVG: 4456600 51.3495 -21.9662 3.38579 -24.7086 -84.0586 -26.4835 1.60324 -24.1604 -16.5906 TIMING: 4456600 CPU: 14142, 0.00316414/step Wall: 14142, 0.00316414/step, 0.47761 hours remaining, 240.808594 MB of memory in use. ENERGY: 4456600 4070.5525 20557.1399 14409.9407 232.6181 -203655.0819 2780.7553 0.0000 0.0000 52259.4084 -109344.6670 300.3355 -161604.0755 -108979.2504 299.4337 -118.3804 -93.6753 761594.8042 -16.4533 -16.4332 PRESSURE: 4456800 80.3128 -193.589 96.3425 -193.59 -21.817 -46.6218 96.342 -46.6217 53.1876 GPRESSURE: 4456800 152.811 -208.701 2.9564 -210.307 -12.976 -28.5813 130.77 -74.0604 44.6847 PRESSAVG: 4456800 73.3093 -44.2907 4.96525 -44.2908 -22.8459 -65.0601 4.96528 -65.06 5.83694 GPRESSAVG: 4456800 72.3377 -43.7814 4.39814 -44.6921 -21.2898 -66.1521 2.09835 -64.4697 5.38612 TIMING: 4456800 CPU: 14142.6, 0.00314452/step Wall: 14142.6, 0.00314452/step, 0.474473 hours remaining, 240.808594 MB of memory in use. ENERGY: 4456800 3981.6578 20469.3201 14488.8838 226.3021 -202920.0941 2376.4414 0.0000 0.0000 52126.0156 -109251.4734 299.5689 -161377.4890 -108900.7495 300.1138 37.2278 61.5066 759926.9727 18.7668 18.8113 PRESSURE: 4457000 -473.732 203.737 8.828 203.739 -69.5931 172.399 8.82842 172.399 -431.288 GPRESSURE: 4457000 -401.345 153.109 50.5547 170.173 -89.7469 265.744 75.1556 27.6769 -408.479 PRESSAVG: 4457000 3.90564 41.5169 -20.5952 41.517 -0.340265 32.2207 -20.5952 32.2207 9.166 GPRESSAVG: 4457000 4.39736 39.1157 -21.2024 44.8283 -1.8084 34.7105 -18.0088 29.597 9.58797 TIMING: 4457000 CPU: 14143.3, 0.00315644/step Wall: 14143.3, 0.00315644/step, 0.476096 hours remaining, 240.808594 MB of memory in use. ENERGY: 4457000 4052.8976 20493.8195 14436.5599 249.2193 -202871.6121 2163.7287 0.0000 0.0000 52384.6134 -109090.7735 301.0551 -161475.3869 -108717.6779 299.8734 -324.8708 -299.8568 761771.9934 4.2438 4.0590 PRESSURE: 4457200 -299.733 -84.6728 -323.001 -84.6735 -48.8465 37.6099 -323.002 37.6112 -254.443 GPRESSURE: 4457200 -198.22 -50.3628 -312.471 -14.4216 -32.5921 -33.1565 -167.035 -39.4219 -286.098 PRESSAVG: 4457200 4.1071 30.0692 -24.4405 30.0692 -10.6756 -6.94294 -24.4404 -6.9429 -15.9051 GPRESSAVG: 4457200 3.56152 32.4264 -24.3327 27.4197 -10.5647 -8.93897 -24.4964 -5.5433 -15.8654 TIMING: 4457200 CPU: 14143.9, 0.00317754/step Wall: 14143.9, 0.00317754/step, 0.479102 hours remaining, 240.808594 MB of memory in use. ENERGY: 4457200 3991.4692 20549.7125 14483.5147 247.3766 -203123.3262 2419.1110 0.0000 0.0000 52175.1304 -109257.0118 299.8512 -161432.1422 -108888.8662 300.0452 -201.0074 -172.3034 761710.6669 -7.4912 -7.6229 PRESSURE: 4457400 -222.821 273.767 130.786 273.767 -204.109 -90.2033 130.787 -90.2022 -188.589 GPRESSURE: 4457400 -206.369 151.076 130.1 169.115 -151.553 -120.027 203.474 -8.20977 -181.472 PRESSAVG: 4457400 -8.2 44.3436 -62.4836 44.3437 -5.54484 -29.3198 -62.4835 -29.3197 22.3264 GPRESSAVG: 4457400 -7.86414 43.0164 -61.6559 43.9163 -4.97909 -29.2947 -61.9113 -31.3333 21.4727 TIMING: 4457400 CPU: 14144.5, 0.00315099/step Wall: 14144.5, 0.00315099/step, 0.474925 hours remaining, 240.808594 MB of memory in use. ENERGY: 4457400 4024.2169 20362.6216 14427.4372 263.6572 -202848.8662 2460.9183 0.0000 0.0000 52012.4475 -109297.5675 298.9163 -161310.0150 -108926.0371 299.7972 -205.1731 -179.7983 761986.7866 2.8605 2.8765 PRESSURE: 4457600 54.0312 -90.4267 19.9226 -90.4272 -175.583 -107.341 19.9229 -107.343 266.65 GPRESSURE: 4457600 59.0289 -102.612 -22.7856 -119.479 -71.4471 -61.8064 48.5226 -178.922 213.318 PRESSAVG: 4457600 90.775 6.53935 -0.182403 6.53931 -56.4648 -37.7141 -0.182336 -37.7142 17.6374 GPRESSAVG: 4457600 90.4032 7.74392 0.0912234 6.55037 -55.9103 -35.5476 0.111292 -36.0966 17.2854 TIMING: 4457600 CPU: 14145.2, 0.00315505/step Wall: 14145.2, 0.00315505/step, 0.475361 hours remaining, 240.808594 MB of memory in use. ENERGY: 4457600 3928.8798 20603.5215 14439.5194 245.8628 -202849.1245 2383.7707 0.0000 0.0000 51896.5722 -109350.9982 298.2503 -161247.5704 -108990.5536 299.6548 48.3661 66.9667 761240.6868 17.3159 17.2594 PRESSURE: 4457800 -203.189 133.175 315.523 133.174 -434.365 -71.6822 315.523 -71.6831 232.217 GPRESSURE: 4457800 -247.569 234.465 257.025 46.7124 -253.799 20.1647 213.579 -83.2984 171.703 PRESSAVG: 4457800 42.2842 14.3954 -8.2047 14.3954 -53.4519 8.62882 -8.20471 8.62884 14.5323 GPRESSAVG: 4457800 40.7608 13.4935 -9.9192 15.8684 -52.6809 6.75693 -9.6421 9.13003 15.3384 TIMING: 4457800 CPU: 14145.8, 0.00315184/step Wall: 14145.8, 0.00315184/step, 0.474701 hours remaining, 240.808594 MB of memory in use. ENERGY: 4457800 3961.1018 20478.0700 14431.1212 245.7171 -202882.5424 2331.7734 0.0000 0.0000 52225.4430 -109209.3158 300.1403 -161434.7588 -108851.8612 299.7367 -135.1122 -109.8882 761153.9286 1.1215 1.1394 PRESSURE: 4458000 90.9551 88.2057 -39.622 88.2042 187.142 -268.933 -39.6218 -268.932 -425.769 GPRESSURE: 4458000 147.3 49.5413 -22.2352 144.638 162.347 -239.76 -101.614 -113.709 -384.353 PRESSAVG: 4458000 -55.136 7.1233 -39.7755 7.1234 55.2526 -22.6475 -39.7755 -22.6474 6.3919 GPRESSAVG: 4458000 -53.158 6.64938 -38.4568 5.86029 53.4084 -22.1052 -40.3367 -21.581 6.18609 TIMING: 4458000 CPU: 14146.4, 0.003167/step Wall: 14146.4, 0.003167/step, 0.47681 hours remaining, 240.808594 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: 4458000 4005.7333 20653.1784 14484.2568 249.2722 -203631.5763 2776.8849 0.0000 0.0000 52432.0782 -109030.1725 301.3279 -161462.2506 -108671.2062 300.1303 -49.2239 -24.9019 760574.8251 2.1695 2.1455 PRESSURE: 4458200 -61.7235 59.2326 -284.003 59.2338 -249.203 62.808 -284.002 62.8082 17.7204 GPRESSURE: 4458200 -123.294 152.797 -271.269 20.3275 -212.802 82.1486 -262.589 50.1068 111.587 PRESSAVG: 4458200 -8.34692 -9.47887 -15.2991 -9.47887 8.39213 19.8607 -15.2991 19.8607 4.28218 GPRESSAVG: 4458200 -8.49566 -7.83292 -14.64 -9.70181 8.5047 19.3495 -14.2615 17.8157 3.89593 TIMING: 4458200 CPU: 14147.1, 0.0031504/step Wall: 14147.1, 0.0031504/step, 0.474135 hours remaining, 240.808594 MB of memory in use. ENERGY: 4458200 4009.0045 20681.3158 14378.5110 251.6653 -203136.2750 2342.1717 0.0000 0.0000 52360.2270 -109113.3799 300.9149 -161473.6068 -108754.8824 300.5376 -97.7355 -74.8364 760600.3453 1.4425 1.3017 PRESSURE: 4458400 -318.78 -148.296 121.322 -148.294 -262.302 -128.573 121.322 -128.572 -245.565 GPRESSURE: 4458400 -291.595 -99.8618 89.9766 -106.876 -234.483 -81.331 -2.91463 -151.258 -230.576 PRESSAVG: 4458400 26.2676 -85.7844 -36.4798 -85.7845 -24.7422 -34.5599 -36.4798 -34.5599 -7.05679 GPRESSAVG: 4458400 25.8127 -83.9593 -35.9548 -85.7418 -24.5286 -32.9935 -37.4102 -34.6438 -7.02276 TIMING: 4458400 CPU: 14147.7, 0.00316042/step Wall: 14147.7, 0.00316042/step, 0.475468 hours remaining, 240.808594 MB of memory in use. ENERGY: 4458400 3975.7945 20617.4566 14396.2674 251.6486 -202836.0896 2410.5225 0.0000 0.0000 52004.3262 -109180.0738 298.8696 -161184.4000 -108818.8669 300.0225 -275.5491 -252.2181 761900.2684 -1.8438 -1.9129 PRESSURE: 4458600 -115.081 -90.6215 -90.5918 -90.6219 97.171 -306.912 -90.5914 -306.912 428.207 GPRESSURE: 4458600 -80.4841 -21.4698 7.87319 -89.4317 154.951 -381.686 17.4331 -218.106 422.345 PRESSAVG: 4458600 2.26145 -13.5786 59.4716 -13.5786 -31.9063 26.7998 59.4716 26.7998 -6.47735 GPRESSAVG: 4458600 2.1816 -14.1356 59.7324 -14.3115 -32.0885 26.2564 60.8125 28.2093 -6.52469 TIMING: 4458600 CPU: 14148.3, 0.00316267/step Wall: 14148.3, 0.00316267/step, 0.47563 hours remaining, 240.808594 MB of memory in use. ENERGY: 4458600 3957.9148 20502.4399 14435.6157 246.9781 -202847.5638 2439.0006 0.0000 0.0000 52096.4535 -109169.1612 299.3990 -161265.6146 -108811.9615 299.5987 136.7657 165.6040 761645.7789 -12.0407 -12.1439 PRESSURE: 4458800 -157.464 227.392 92.0204 227.391 -107.977 -178.048 92.0207 -178.048 76.625 GPRESSURE: 4458800 -126.593 229.852 188.371 104.026 -66.725 -216.137 -9.82521 -325.638 115.018 PRESSAVG: 4458800 0.112445 11.4622 -31.3362 11.4622 -0.592618 -29.6806 -31.3361 -29.6806 29.4653 GPRESSAVG: 4458800 0.823671 9.98264 -31.7625 12.9571 -0.817952 -30.1007 -33.0942 -31.1058 28.9389 TIMING: 4458800 CPU: 14149, 0.00316019/step Wall: 14149, 0.00316019/step, 0.475082 hours remaining, 240.808594 MB of memory in use. ENERGY: 4458800 3979.3678 20612.5720 14393.3436 252.8074 -202953.0300 2389.6090 0.0000 0.0000 52076.2353 -109249.0949 299.2828 -161325.3302 -108894.7291 299.7128 -62.9384 -26.1000 760328.2403 9.6617 9.6482 PRESSURE: 4459000 323.238 -19.8544 -86.5874 -19.8547 -94.1852 292.911 -86.5864 292.912 -97.9973 GPRESSURE: 4459000 290.981 -14.9129 -122.328 -15.2757 -46.2863 295.744 -98.1987 285.177 -35.7395 PRESSAVG: 4459000 -24.5255 -3.60766 15.3562 -3.60766 -9.09267 -29.7819 15.3562 -29.7819 13.075 GPRESSAVG: 4459000 -24.3926 -4.55127 15.6435 -4.12766 -9.13949 -30.2512 15.6613 -29.5714 12.6916 TIMING: 4459000 CPU: 14149.6, 0.0031533/step Wall: 14149.6, 0.0031533/step, 0.473871 hours remaining, 240.808594 MB of memory in use. ENERGY: 4459000 3972.4620 20472.2846 14380.8609 242.5248 -203240.0827 2605.5734 0.0000 0.0000 52156.5228 -109409.8542 299.7443 -161566.3770 -109045.0167 299.4444 43.6851 69.6517 759937.3011 -6.8477 -6.9468 PRESSURE: 4459200 -190.597 103.393 -66.2111 103.394 -151.224 -150.903 -66.2104 -150.903 230.845 GPRESSURE: 4459200 -134.101 140.423 19.7914 12.392 -75.1968 -161.928 -83.0786 -121.833 172.366 PRESSAVG: 4459200 47.5365 31.9161 -10.0551 31.916 -36.7436 -62.0278 -10.0551 -62.0278 -9.81095 GPRESSAVG: 4459200 47.5048 32.261 -11.0447 30.2502 -37.3029 -62.8322 -10.5161 -61.7331 -9.54334 TIMING: 4459200 CPU: 14150.2, 0.00313334/step Wall: 14150.2, 0.00313334/step, 0.470697 hours remaining, 240.808594 MB of memory in use. ENERGY: 4459200 4003.8750 20375.7585 14423.2243 237.2192 -203286.9852 2589.3624 0.0000 0.0000 52148.8616 -109508.6842 299.7002 -161657.5458 -109147.3387 299.3837 -36.9924 -12.3106 761129.9372 0.3273 0.2195 PRESSURE: 4459400 50.0936 -32.1852 24.5147 -32.1846 -340.628 -104.731 24.5152 -104.731 261.968 GPRESSURE: 4459400 61.0551 28.9351 -42.5761 -27.7756 -241.108 -67.8641 91.7646 -98.9921 229.739 PRESSAVG: 4459400 40.6169 -24.6556 6.93472 -24.6556 -28.2306 -54.7326 6.93467 -54.7327 7.04938 GPRESSAVG: 4459400 41.0848 -25.8191 6.58534 -21.0221 -29.1988 -52.845 7.78081 -54.9853 7.63201 TIMING: 4459400 CPU: 14150.8, 0.00314482/step Wall: 14150.8, 0.00314482/step, 0.472247 hours remaining, 240.808594 MB of memory in use. ENERGY: 4459400 3965.6581 20450.5016 14469.3028 232.1985 -203362.9797 2602.5066 0.0000 0.0000 52239.9789 -109402.8332 300.2239 -161642.8121 -109024.7851 299.5004 -9.5221 16.5619 761812.3526 6.4785 6.5060 PRESSURE: 4459600 -303.016 -50.3853 48.1254 -50.3852 -22.4508 63.6773 48.1263 63.6769 -177.289 GPRESSURE: 4459600 -199.673 -56.6677 47.3285 -70.1769 -10.2953 129.079 -14.4638 96.72 -227.599 PRESSAVG: 4459600 69.5193 -45.5828 -5.82512 -45.5828 -94.2461 7.91948 -5.82507 7.91944 -5.42532 GPRESSAVG: 4459600 68.8438 -44.1691 -4.83606 -47.5308 -94.5798 7.96709 -7.73292 8.14305 -5.199 TIMING: 4459600 CPU: 14151.5, 0.00313992/step Wall: 14151.5, 0.00313992/step, 0.471337 hours remaining, 240.808594 MB of memory in use. ENERGY: 4459600 3955.9402 20355.0608 14443.8310 239.7814 -203143.2748 2379.8883 0.0000 0.0000 52287.0404 -109481.7328 300.4943 -161768.7732 -109118.2051 299.2844 -167.5852 -145.8555 761835.8842 -10.0507 -10.3117 PRESSURE: 4459800 11.4301 -157.885 -2.0665 -157.885 307.591 184.887 -2.06622 184.887 108.045 GPRESSURE: 4459800 13.1918 -176.451 9.11179 -130.748 351.811 198.404 136.278 63.3441 131.526 PRESSAVG: 4459800 18.4565 15.6684 -13.1938 15.6685 5.98589 -2.8134 -13.1938 -2.81338 0.493293 GPRESSAVG: 4459800 18.7881 15.7674 -12.8251 15.3857 6.00233 -3.23474 -12.6725 -3.13443 0.0252506 TIMING: 4459800 CPU: 14152.1, 0.00314881/step Wall: 14152.1, 0.00314881/step, 0.472496 hours remaining, 240.808594 MB of memory in use. ENERGY: 4459800 4025.5515 20463.9496 14367.9281 275.8067 -203153.4648 2664.3649 0.0000 0.0000 51936.0830 -109419.7811 298.4774 -161355.8641 -109051.7629 299.8717 142.3554 165.5097 761159.7691 8.3119 8.2719 PRESSURE: 4460000 122.213 47.0028 -164.366 47.0017 155.772 -233.847 -164.365 -233.846 -45.4337 GPRESSURE: 4460000 100.214 36.5289 -196.638 -36.0707 262.027 -196.674 -142.724 -198.353 -27.7908 PRESSAVG: 4460000 4.54035 9.12936 -60.1587 9.12937 19.2213 52.008 -60.1588 52.008 6.26035 GPRESSAVG: 4460000 4.56693 8.37126 -61.0311 10.3431 19.8256 52.3238 -60.1219 54.5192 5.89081 TIMING: 4460000 CPU: 14152.7, 0.00314832/step Wall: 14152.7, 0.00314832/step, 0.472248 hours remaining, 240.808594 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: 4460000 3975.4599 20361.0552 14520.7845 226.0582 -203560.6534 2670.3816 0.0000 0.0000 52319.6138 -109487.3002 300.6815 -161806.9141 -109125.0085 299.7401 77.5173 111.4832 759271.2723 10.0073 10.0944 PRESSURE: 4460200 -86.1701 -202.318 -16.7553 -202.319 -93.8836 48.0727 -16.7548 48.0713 26.3034 GPRESSURE: 4460200 -88.6501 -182.899 -19.2214 -115.382 -79.7432 25.719 -119.141 -14.3114 75.6525 PRESSAVG: 4460200 -8.46349 13.9492 11.1549 13.9492 -12.997 -41.2814 11.1549 -41.2813 -4.69174 GPRESSAVG: 4460200 -8.9017 12.8637 11.9876 15.0299 -12.0954 -42.5032 11.4798 -44.5608 -5.30045 TIMING: 4460200 CPU: 14153.4, 0.00313886/step Wall: 14153.4, 0.00313886/step, 0.470654 hours remaining, 240.808594 MB of memory in use. ENERGY: 4460200 3999.2756 20541.4770 14426.2506 241.4015 -203374.7493 2455.4613 0.0000 0.0000 52278.1293 -109432.7540 300.4431 -161710.8833 -109073.9502 299.3244 -51.2501 -30.9136 761665.6432 -8.7174 -8.7659 LDB: ============= START OF LOAD BALANCING ============== 14165.8 LDB: ============== END OF LOAD BALANCING =============== 14165.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14165.8 LDB: ============= START OF LOAD BALANCING ============== 14166.1 LDB: Largest compute 7059 load 0.035051 is 17.9% of average load 0.195587 LDB: Average compute 0.004361 is 2.2% of average load 0.195587 LDB: TIME 14166.1 LOAD: AVG 0.195587 MAX 0.215929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 14166.1 LOAD: AVG 0.195587 MAX 0.215929 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 14166.1 LOAD: AVG 0.195587 MAX 0.215929 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 14166.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14166.1 PRESSURE: 4460400 -202.026 -65.0431 86.466 -65.0432 -4.20283 85.2267 86.4659 85.2261 250.889 GPRESSURE: 4460400 -175.459 41.3762 119.863 -59.1331 79.1196 128.045 53.9634 27.2398 222.574 PRESSAVG: 4460400 -18.4825 -4.44134 -13.4474 -4.44125 3.686 -20.0995 -13.4474 -20.0994 31.4964 GPRESSAVG: 4460400 -18.7037 -2.55203 -15.1279 -7.17511 2.7084 -19.7743 -13.7707 -18.0611 32.6858 TIMING: 4460400 CPU: 14154, 0.00321167/step Wall: 14154, 0.00321167/step, 0.481394 hours remaining, 240.039062 MB of memory in use. ENERGY: 4460400 4126.0266 20437.9732 14418.4150 263.9983 -203093.9252 2312.7516 0.0000 0.0000 52176.5935 -109358.1671 299.8596 -161534.7606 -109001.3000 299.8827 14.8868 42.0783 762461.7359 5.5666 5.5635 PRESSURE: 4460600 167.4 14.861 -62.3886 14.861 227.297 227.575 -62.3886 227.575 130.61 GPRESSURE: 4460600 274.329 27.3857 -141.361 83.2677 268.691 124.674 -207.1 238.12 68.4803 PRESSAVG: 4460600 -34.2678 64.1756 -37.4748 64.1756 17.2884 56.085 -37.4748 56.085 -2.59235 GPRESSAVG: 4460600 -33.8446 63.8754 -38.5162 64.4957 18.0447 56.7307 -36.9919 53.7068 -3.48127 TIMING: 4460600 CPU: 14154.6, 0.00315477/step Wall: 14154.6, 0.00315477/step, 0.47269 hours remaining, 240.039062 MB of memory in use. ENERGY: 4460600 3967.2489 20585.9663 14490.5441 250.0345 -203091.8543 2371.2021 0.0000 0.0000 51989.2453 -109437.6130 298.7829 -161426.8583 -109076.0105 299.3810 175.1022 203.8336 759899.7922 -6.5239 -6.4271 PRESSURE: 4460800 61.0219 -38.9464 205.304 -38.946 121.909 100.083 205.304 100.084 75.6388 GPRESSURE: 4460800 126.673 -91.0324 273.37 12.0955 113.625 144.281 118.65 45.551 102.718 PRESSAVG: 4460800 2.481 -22.856 -10.305 -22.856 3.30402 -35.8917 -10.3051 -35.8917 -6.8037 GPRESSAVG: 4460800 4.50327 -21.9288 -9.5374 -23.1848 2.17513 -35.8943 -9.70683 -35.7624 -7.06588 TIMING: 4460800 CPU: 14155.3, 0.00313944/step Wall: 14155.3, 0.00313944/step, 0.470218 hours remaining, 240.039062 MB of memory in use. ENERGY: 4460800 3916.4835 20471.0398 14489.1270 241.2839 -203728.8948 2833.0020 0.0000 0.0000 52337.3432 -109440.6155 300.7834 -161777.9587 -109073.9746 299.3099 86.1901 114.3389 760652.9891 -0.3396 -0.1292 PRESSURE: 4461000 354.403 -221.913 128.677 -221.914 -107.035 118.743 128.677 118.743 -42.2801 GPRESSURE: 4461000 332.418 -268.606 142.938 -195.804 -26.3182 180.518 81.2622 99.019 -17.7721 PRESSAVG: 4461000 23.6154 0.800124 21.1847 0.800193 -37.1035 -23.7367 21.1847 -23.7367 10.1371 GPRESSAVG: 4461000 21.1607 -1.89131 21.9429 2.12492 -35.1335 -22.65 19.6152 -22.1745 10.5606 TIMING: 4461000 CPU: 14155.9, 0.00314097/step Wall: 14155.9, 0.00314097/step, 0.470272 hours remaining, 240.039062 MB of memory in use. ENERGY: 4461000 3894.2941 20507.4848 14386.7789 243.6254 -203434.7092 2772.6964 0.0000 0.0000 52180.1811 -109449.6486 299.8802 -161629.8297 -109081.1226 299.6589 68.3628 96.1092 761483.1334 -1.1170 -1.1374 PRESSURE: 4461200 282.144 -243.946 -113.003 -243.946 101.14 -33.2806 -113.003 -33.2814 -83.6622 GPRESSURE: 4461200 258.102 -252.861 -116.571 -149.115 126.629 45.8797 -212.608 -34.07 -12.5973 PRESSAVG: 4461200 -28.7505 -53.7416 -13.0665 -53.7416 6.7898 -48.1133 -13.0665 -48.1132 21.2166 GPRESSAVG: 4461200 -28.5257 -52.6945 -13.4809 -53.3623 7.0178 -47.7546 -10.9317 -50.3635 20.993 TIMING: 4461200 CPU: 14156.5, 0.00313559/step Wall: 14156.5, 0.00313559/step, 0.469294 hours remaining, 240.039062 MB of memory in use. ENERGY: 4461200 4025.3310 20395.1277 14423.8535 247.4536 -203414.2807 2591.1052 0.0000 0.0000 52020.5124 -109710.8972 298.9626 -161731.4096 -109355.4617 299.4244 99.8741 124.0444 759476.3739 -0.2480 -0.1716 PRESSURE: 4461400 253.282 -175.304 37.916 -175.304 95.9512 123.934 37.9157 123.934 327.935 GPRESSURE: 4461400 319.914 -224.961 66.1507 -216.753 97.9711 118.286 10.0059 139.775 344.091 PRESSAVG: 4461400 34.6273 -35.6292 -15.3005 -35.6291 -30.5947 -5.98366 -15.3005 -5.98364 19.0774 GPRESSAVG: 4461400 34.9492 -33.7239 -12.8848 -36.8466 -32.4441 -7.88308 -17.0044 -3.99938 19.9662 TIMING: 4461400 CPU: 14157.1, 0.00314701/step Wall: 14157.1, 0.00314701/step, 0.470827 hours remaining, 240.039062 MB of memory in use. ENERGY: 4461400 3937.4389 20399.0951 14477.4600 239.1459 -202944.1644 2288.8274 0.0000 0.0000 52024.9087 -109577.2884 298.9879 -161602.1970 -109202.2930 298.8982 225.7230 253.9919 759951.1038 7.7033 7.4904 PRESSURE: 4461600 354.697 132.577 -61.992 132.577 -58.0352 189.62 -61.9923 189.62 42.3642 GPRESSURE: 4461600 327.538 132.204 -60.0168 214.972 68.7947 109.791 -33.4729 138.582 35.3692 PRESSAVG: 4461600 21.4325 -10.1317 -22.5791 -10.1317 -16.8878 61.5128 -22.5792 61.5129 -21.1143 GPRESSAVG: 4461600 22.2328 -10.2594 -24.2308 -11.33 -16.1133 60.5111 -21.0665 61.9918 -22.5348 TIMING: 4461600 CPU: 14157.8, 0.00313737/step Wall: 14157.8, 0.00313737/step, 0.469212 hours remaining, 240.039062 MB of memory in use. ENERGY: 4461600 4053.4007 20514.6365 14464.8482 247.7225 -203238.9473 2553.8427 0.0000 0.0000 52039.2543 -109365.2423 299.0703 -161404.4966 -108997.7742 300.0356 113.0086 143.9007 760394.7269 -5.5232 -5.4718 PRESSURE: 4461800 78.1119 121.022 20.2079 121.022 -354.552 -124.482 20.2079 -124.483 77.9365 GPRESSURE: 4461800 64.2852 79.7618 -1.5435 153.594 -327.789 -91.2239 55.5454 -2.38169 154.648 PRESSAVG: 4461800 -8.04984 -37.1963 38.1696 -37.1962 57.365 16.6266 38.1695 16.6265 4.83479 GPRESSAVG: 4461800 -8.81285 -36.9611 37.9461 -36.4462 56.3029 16.6472 37.6225 16.9393 6.44942 TIMING: 4461800 CPU: 14158.4, 0.00313423/step Wall: 14158.4, 0.00313423/step, 0.468567 hours remaining, 240.039062 MB of memory in use. ENERGY: 4461800 3899.1509 20499.3241 14517.1571 253.8349 -203158.6663 2497.4534 0.0000 0.0000 52157.4625 -109334.2834 299.7497 -161491.7459 -108973.6668 299.6296 -66.1678 -36.2853 761376.4940 18.0500 17.9798 PRESSURE: 4462000 -45.5449 -194.623 134.084 -194.623 -24.7237 -251.595 134.084 -251.594 42.9658 GPRESSURE: 4462000 48.6699 -236.118 202.639 -265.696 -37.3141 -257.615 74.4531 -230.616 42.3516 PRESSAVG: 4462000 -15.4373 -33.6177 -11.3619 -33.6178 -7.51144 25.7935 -11.3619 25.7934 -7.44718 GPRESSAVG: 4462000 -15.5159 -38.3259 -11.3344 -32.7459 -5.98888 26.3787 -11.9497 23.9179 -8.74088 TIMING: 4462000 CPU: 14159, 0.00316555/step Wall: 14159, 0.00316555/step, 0.473074 hours remaining, 240.039062 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: 4462000 3937.1230 20575.7354 14452.9246 225.7577 -203071.6197 2414.1425 0.0000 0.0000 52171.5609 -109294.3756 299.8307 -161465.9365 -108929.2924 299.8764 -9.1009 17.9025 760495.5165 -10.1320 -10.0819 PRESSURE: 4462200 31.4785 136.134 44.6182 136.133 -265.406 -90.7959 44.6184 -90.7954 10.0425 GPRESSURE: 4462200 97.7956 249.405 127.222 13.7084 -228.916 -32.837 18.2688 8.05314 -13.5611 PRESSAVG: 4462200 -33.3642 -44.5518 -2.4189 -44.5519 13.8644 -33.3919 -2.41893 -33.3919 18.3196 GPRESSAVG: 4462200 -32.9134 -41.015 -0.635423 -46.0023 13.4796 -33.3859 -2.39735 -33.6755 18.0236 TIMING: 4462200 CPU: 14159.7, 0.00317626/step Wall: 14159.7, 0.00317626/step, 0.474498 hours remaining, 240.039062 MB of memory in use. ENERGY: 4462200 4045.2176 20396.0968 14457.6942 247.6043 -203135.7022 2351.2127 0.0000 0.0000 52390.2685 -109247.6082 301.0876 -161637.8767 -108874.0633 299.7993 -74.6283 -48.2272 761728.6462 -0.3934 -0.4701 PRESSURE: 4462400 -268.148 -226.087 281.56 -226.086 20.4422 91.1955 281.559 91.1947 156.078 GPRESSURE: 4462400 -224.949 -146.819 170.967 -192.376 68.6838 152.352 236.72 -24.1944 164.871 PRESSAVG: 4462400 52.1647 -74.001 -5.63668 -74.001 -52.2717 43.8066 -5.63666 43.8066 -5.83794 GPRESSAVG: 4462400 51.1604 -72.6726 -5.97227 -73.0464 -52.9438 44.8947 -6.88941 42.8429 -4.16307 TIMING: 4462400 CPU: 14160.3, 0.00316561/step Wall: 14160.3, 0.00316561/step, 0.472731 hours remaining, 240.039062 MB of memory in use. ENERGY: 4462400 3994.4904 20418.2129 14435.2462 230.9327 -203063.6656 2519.2499 0.0000 0.0000 52117.2828 -109348.2507 299.5187 -161465.5335 -108970.1276 300.2931 -30.5428 2.8687 762181.3364 -1.9816 -1.9822 PRESSURE: 4462600 -17.1839 -149.114 192.327 -149.114 -52.4803 -131.249 192.328 -131.25 -376.262 GPRESSURE: 4462600 -48.3332 -95.4369 262.139 -176.016 3.35874 -256.692 181.009 -169.632 -313.949 PRESSAVG: 4462600 -16.7665 21.2073 18.379 21.2073 -19.7082 5.79943 18.379 5.79945 -16.3707 GPRESSAVG: 4462600 -16.4314 22.6308 16.6201 22.1864 -19.5812 4.30104 21.2651 6.44302 -17.0259 TIMING: 4462600 CPU: 14160.9, 0.00315302/step Wall: 14160.9, 0.00315302/step, 0.470676 hours remaining, 240.039062 MB of memory in use. ENERGY: 4462600 3957.5092 20523.8155 14499.5489 235.2255 -203363.8694 2537.8324 0.0000 0.0000 52138.8307 -109471.1071 299.6426 -161609.9378 -109115.0117 299.4625 -148.6419 -119.6411 761633.5656 -17.6151 -17.6795 PRESSURE: 4462800 11.6895 102.448 -77.1123 102.448 80.1209 77.2053 -77.1115 77.2065 -3.74238 GPRESSURE: 4462800 -34.3676 11.6143 -117.31 145.317 103.712 93.1877 49.3391 226.325 82.1117 PRESSAVG: 4462800 22.4205 -17.5357 5.62684 -17.5356 -24.3511 -0.945511 5.62685 -0.945477 1.38335 GPRESSAVG: 4462800 21.3322 -20.4482 6.86251 -18.5478 -23.4434 -0.398692 5.29847 -1.91488 1.44347 TIMING: 4462800 CPU: 14161.6, 0.00313988/step Wall: 14161.6, 0.00313988/step, 0.46854 hours remaining, 240.039062 MB of memory in use. ENERGY: 4462800 3995.0432 20664.9754 14392.4129 229.7013 -203649.2141 2788.2151 0.0000 0.0000 52017.9111 -109560.9551 298.9477 -161578.8662 -109210.8371 300.1224 29.3560 50.4854 760115.7904 -0.1824 -0.2226 PRESSURE: 4463000 52.3422 -14.6999 -51.5078 -14.6993 33.3013 -192.181 -51.5087 -192.181 87.4139 GPRESSURE: 4463000 141.451 -132.387 -134.379 -78.1227 -47.2841 -161.921 -31.1835 -135.548 165.559 PRESSAVG: 4463000 3.66083 -47.987 22.1145 -47.987 -15.6927 19.1855 22.1145 19.1856 23.3468 GPRESSAVG: 4463000 6.06138 -48.0326 22.0378 -46.9756 -17.1924 19.3375 20.6836 23.0305 22.7992 TIMING: 4463000 CPU: 14162.2, 0.00314991/step Wall: 14162.2, 0.00314991/step, 0.469861 hours remaining, 240.039062 MB of memory in use. ENERGY: 4463000 3941.5190 20596.0205 14413.2941 247.8843 -203297.0958 2607.8647 0.0000 0.0000 51905.5855 -109584.9277 298.3021 -161490.5132 -109222.5143 299.4806 57.6858 86.5752 761206.2028 3.7716 3.8894 PRESSURE: 4463200 -164.461 72.3122 121.724 72.312 -21.3648 184.607 121.724 184.607 -415.376 GPRESSURE: 4463200 -157.151 48.2405 -1.92344 53.7263 18.6922 58.1109 219.228 102.206 -383.213 PRESSAVG: 4463200 22.9667 -41.6636 -28.6825 -41.6636 -23.4103 -11.6976 -28.6825 -11.6976 18.9136 GPRESSAVG: 4463200 21.341 -41.2879 -28.8763 -41.9193 -21.9601 -12.4351 -28.6356 -12.0034 19.2849 TIMING: 4463200 CPU: 14162.8, 0.00315056/step Wall: 14162.8, 0.00315056/step, 0.469783 hours remaining, 240.039062 MB of memory in use. ENERGY: 4463200 4071.9882 20580.1747 14425.0346 241.4311 -203089.6190 2378.0733 0.0000 0.0000 51986.2836 -109406.6335 298.7659 -161392.9171 -109059.1866 299.0915 -200.4006 -173.8908 760125.3781 6.1567 6.2219 PRESSURE: 4463400 188.654 -112.724 463.336 -112.724 -142.932 -23.5205 463.336 -23.5204 -7.90404 GPRESSURE: 4463400 357.806 -104.946 368.549 -124.337 -116.196 33.7482 461.919 59.985 -111.41 PRESSAVG: 4463400 10.9045 -29.8179 7.60632 -29.8178 27.4558 28.1124 7.60636 28.1125 -7.58504 GPRESSAVG: 4463400 11.8268 -28.9281 6.18288 -29.7748 26.4152 30.2518 8.94678 24.155 -7.39491 TIMING: 4463400 CPU: 14163.5, 0.00315289/step Wall: 14163.5, 0.00315289/step, 0.469956 hours remaining, 240.039062 MB of memory in use. ENERGY: 4463400 3956.2172 20494.9332 14384.2413 240.3514 -203466.4370 2800.0211 0.0000 0.0000 52024.5533 -109566.1194 298.9858 -161590.6727 -109203.0794 299.5751 12.6061 43.3997 760731.2723 10.2584 10.2823 PRESSURE: 4463600 -38.5635 -52.8413 -256.856 -52.8407 470.759 63.2932 -256.856 63.2929 -122.062 GPRESSURE: 4463600 -19.6108 -96.3841 -263.478 -42.7906 509.86 119.3 -203.308 104.836 -103.982 PRESSAVG: 4463600 58.2657 -28.4126 63.7442 -28.4126 -11.8184 -43.9257 63.7442 -43.9257 10.2401 GPRESSAVG: 4463600 57.6666 -30.2368 64.0676 -27.4652 -10.6479 -45.5261 63.4412 -42.0498 9.45303 TIMING: 4463600 CPU: 14164.1, 0.00314697/step Wall: 14164.1, 0.00314697/step, 0.468899 hours remaining, 240.039062 MB of memory in use. ENERGY: 4463600 3887.8694 20393.8333 14427.5217 250.8111 -203636.6855 2761.2322 0.0000 0.0000 52190.9521 -109724.4658 299.9421 -161915.4178 -109353.0624 299.3161 103.3778 128.7557 761405.8687 18.8958 18.8239 PRESSURE: 4463800 128.713 -125.266 -3.14003 -125.265 -243.653 -38.5003 -3.14044 -38.5 -428.716 GPRESSURE: 4463800 207.369 -127.989 30.2501 -144.352 -258.779 -7.99585 -102.999 -35.5129 -439.877 PRESSAVG: 4463800 23.8439 -8.06982 -3.14396 -8.06984 -16.123 -19.7717 -3.144 -19.7717 8.00269 GPRESSAVG: 4463800 23.4786 -6.84986 -2.61618 -8.83376 -16.1078 -16.7486 -3.03354 -19.5823 8.35832 TIMING: 4463800 CPU: 14164.7, 0.00314458/step Wall: 14164.7, 0.00314458/step, 0.468368 hours remaining, 240.039062 MB of memory in use. ENERGY: 4463800 3930.9825 20524.9636 14419.0099 244.4082 -203158.2317 2360.5707 0.0000 0.0000 51976.1774 -109702.1194 298.7078 -161678.2968 -109331.9096 298.8408 -181.2191 -163.7627 761196.0818 5.2412 5.2430 PRESSURE: 4464000 -818.381 59.6908 63.4067 59.691 137.533 71.3664 63.4077 71.367 -174.938 GPRESSURE: 4464000 -639.191 3.85357 188.579 125.173 107.687 -13.4222 80.3744 -12.5638 -213.818 PRESSAVG: 4464000 -42.9012 -16.9714 40.8866 -16.9714 -5.3603 12.5252 40.8866 12.5252 -21.4635 GPRESSAVG: 4464000 -42.463 -16.8296 42.7053 -16.1163 -5.08848 10.5474 39.539 12.7622 -22.329 TIMING: 4464000 CPU: 14165.3, 0.003143/step Wall: 14165.3, 0.003143/step, 0.467958 hours remaining, 240.039062 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: 4464000 4088.6996 20644.9703 14420.3563 252.5662 -203275.7014 2291.6761 0.0000 0.0000 51875.7077 -109701.7252 298.1304 -161577.4329 -109348.5717 299.0696 -285.2619 -248.4406 762291.4638 -23.2417 -23.2935 PRESSURE: 4464200 92.8387 -87.1562 -33.6712 -87.1559 -420.206 168.081 -33.6712 168.082 288.525 GPRESSURE: 4464200 57.199 -139.369 13.6831 -110.783 -241.584 159.886 -132.261 181.57 253.433 PRESSAVG: 4464200 14.1283 3.35808 76.9273 3.35802 -24.5827 -2.92565 76.9274 -2.92556 5.90068 GPRESSAVG: 4464200 14.4788 2.22682 75.4496 2.89083 -24.6576 -3.61735 78.8138 -3.77203 5.71681 TIMING: 4464200 CPU: 14166, 0.00313809/step Wall: 14166, 0.00313809/step, 0.467053 hours remaining, 240.039062 MB of memory in use. ENERGY: 4464200 4088.4178 20433.2845 14526.5851 246.4840 -203449.0372 2442.5003 0.0000 0.0000 52165.5408 -109546.2249 299.7961 -161711.7656 -109189.4828 299.5715 -12.9477 23.0157 760512.6509 -1.5179 -1.4873 LDB: ============= START OF LOAD BALANCING ============== 14178.4 LDB: ============== END OF LOAD BALANCING =============== 14178.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14178.4 LDB: ============= START OF LOAD BALANCING ============== 14178.7 LDB: Largest compute 7078 load 0.034918 is 17.9% of average load 0.195545 LDB: Average compute 0.004387 is 2.2% of average load 0.195545 LDB: TIME 14178.7 LOAD: AVG 0.195545 MAX 0.219318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 14178.7 LOAD: AVG 0.195545 MAX 0.219318 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 14178.7 LOAD: AVG 0.195545 MAX 0.216813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 14178.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14178.7 PRESSURE: 4464400 -261.892 34.9573 187.713 34.9569 -190.136 186.833 187.713 186.833 -148.648 GPRESSURE: 4464400 -138.34 162.031 164.975 145.327 -217.738 195.407 111.075 205.723 -161.885 PRESSAVG: 4464400 60.036 8.35061 99.8229 8.35059 -47.5843 -10.8588 99.8228 -10.8588 -1.48304 GPRESSAVG: 4464400 59.7235 8.95915 98.8903 9.17864 -48.3021 -9.93292 97.531 -11.2691 -0.549265 TIMING: 4464400 CPU: 14166.6, 0.00321492/step Wall: 14166.6, 0.00321492/step, 0.478308 hours remaining, 240.039062 MB of memory in use. ENERGY: 4464400 4005.1144 20561.3089 14473.8908 238.9248 -203202.2246 2473.8832 0.0000 0.0000 52150.7256 -109298.3769 299.7109 -161449.1025 -108923.1117 299.7211 -200.2255 -172.6544 760691.3097 3.6562 3.6241 PRESSURE: 4464600 -134.05 -12.5764 -5.65894 -12.576 -350.76 35.1711 -5.65855 35.1703 -501.526 GPRESSURE: 4464600 -102.801 0.689622 -37.2129 111.353 -375.594 81.7016 24.4634 -114.239 -414.061 PRESSAVG: 4464600 70.7759 41.2922 9.89103 41.2921 -65.54 1.37791 9.89096 1.37796 11.8174 GPRESSAVG: 4464600 70.1151 43.3108 9.99998 40.4893 -65.3167 -0.128322 14.0087 1.84734 12.1732 TIMING: 4464600 CPU: 14167.2, 0.0031449/step Wall: 14167.2, 0.00314491/step, 0.467717 hours remaining, 240.039062 MB of memory in use. ENERGY: 4464600 4019.8116 20560.9102 14438.0701 264.7375 -203217.7623 2393.7117 0.0000 0.0000 52238.2770 -109302.2442 300.2141 -161540.5212 -108940.3382 300.1139 -328.7783 -297.4854 761868.9175 5.6844 5.6572 PRESSURE: 4464800 -225.817 -2.24575 -19.5061 -2.24633 -247.705 -54.4252 -19.5055 -54.4243 -113.549 GPRESSURE: 4464800 -121.593 -59.7247 -43.2709 110.536 -292.548 -132.207 60.2398 -137.106 -97.9143 PRESSAVG: 4464800 -41.1579 -26.7589 -2.70054 -26.7589 -24.3956 30.2213 -2.70052 30.2214 -6.61449 GPRESSAVG: 4464800 -40.1616 -27.0449 -2.6096 -28.4377 -24.7848 30.666 -4.16699 28.9148 -7.43437 TIMING: 4464800 CPU: 14167.9, 0.00312784/step Wall: 14167.9, 0.00312784/step, 0.465006 hours remaining, 240.039062 MB of memory in use. ENERGY: 4464800 4004.5755 20633.2457 14417.7529 248.7549 -203444.4513 2421.9648 0.0000 0.0000 52236.5636 -109481.5938 300.2042 -161718.1574 -109111.0367 299.6918 -195.6903 -170.6851 760314.1816 -24.0560 -24.1269 PRESSURE: 4465000 -68.3283 -224.185 56.2595 -224.186 110.738 67.9669 56.26 67.967 21.1407 GPRESSURE: 4465000 -64.1914 -243.175 155.552 -239.381 178.329 76.8117 -51.977 -24.2605 21.8812 PRESSAVG: 4465000 39.0832 -39.2042 -19.6123 -39.2042 15.0274 -16.5161 -19.6122 -16.5161 12.5856 GPRESSAVG: 4465000 38.3271 -41.0203 -18.8759 -37.4578 15.1878 -16.5726 -20.6356 -16.8326 13.2336 TIMING: 4465000 CPU: 14168.5, 0.00312619/step Wall: 14168.5, 0.00312619/step, 0.464587 hours remaining, 240.039062 MB of memory in use. ENERGY: 4465000 3951.5486 20662.0121 14397.7766 217.4661 -203493.2849 2535.6621 0.0000 0.0000 52301.9215 -109426.8979 300.5799 -161728.8195 -109063.4209 300.0971 21.1835 45.3396 759550.5031 22.2321 22.2495 PRESSURE: 4465200 -30.6321 -51.2441 -128.23 -51.2446 -82.1314 31.9428 -128.23 31.9429 -50.3928 GPRESSURE: 4465200 -10.7095 3.1134 -118.187 -15.1284 -14.843 -5.7395 -47.1175 -38.4319 -61.5228 PRESSAVG: 4465200 25.8229 -33.8619 -3.64577 -33.862 1.52 -11.6956 -3.64579 -11.6956 -1.21816 GPRESSAVG: 4465200 25.9913 -30.6091 -4.30148 -34.6169 1.59049 -11.789 -1.60016 -9.75341 -1.75696 TIMING: 4465200 CPU: 14169.1, 0.00312888/step Wall: 14169.1, 0.00312888/step, 0.464813 hours remaining, 240.039062 MB of memory in use. ENERGY: 4465200 4034.1657 20432.8410 14391.1681 247.0200 -203321.3366 2600.9566 0.0000 0.0000 52298.3165 -109316.8688 300.5591 -161615.1853 -108950.8291 299.7856 -54.3854 -29.0251 761396.3114 8.7083 8.6083 PRESSURE: 4465400 -35.813 -168.809 -234.614 -168.809 -99.7658 49.872 -234.614 49.8709 -94.7225 GPRESSURE: 4465400 -50.0796 -79.7377 -231.755 -135.496 -71.1851 23.5682 -39.9137 126.255 12.7638 PRESSAVG: 4465400 -1.52103 -10.6751 11.8476 -10.675 -25.8049 37.5225 11.8475 37.5226 1.4743 GPRESSAVG: 4465400 -1.05831 -13.5581 12.4159 -8.29278 -26.4702 37.7825 9.58104 35.8804 1.45649 TIMING: 4465400 CPU: 14169.7, 0.00315725/step Wall: 14169.7, 0.00315725/step, 0.468851 hours remaining, 240.039062 MB of memory in use. ENERGY: 4465400 3979.8295 20480.0877 14459.4799 241.7432 -203049.5049 2257.4429 0.0000 0.0000 52308.7663 -109322.1554 300.6192 -161630.9216 -108963.1799 300.1005 -76.7671 -36.1669 761793.3550 -8.6172 -8.6907 PRESSURE: 4465600 -147.368 10.7716 23.4609 10.771 60.6907 -193.684 23.4606 -193.684 -156.295 GPRESSURE: 4465600 -87.6645 -45.5673 61.3356 27.4753 72.7581 -90.2361 -12.2699 -171.65 -154.206 PRESSAVG: 4465600 59.3719 -0.582978 30.0223 -0.583068 19.8682 -59.2291 30.0223 -59.2292 -0.849322 GPRESSAVG: 4465600 57.6935 0.768658 30.0736 -2.61787 20.8103 -60.7687 30.5674 -58.5859 -0.744303 TIMING: 4465600 CPU: 14170.4, 0.00316922/step Wall: 14170.4, 0.00316922/step, 0.470453 hours remaining, 240.039062 MB of memory in use. ENERGY: 4465600 3968.0772 20424.1163 14486.6809 266.3539 -202629.7918 2046.0983 0.0000 0.0000 52126.6984 -109311.7667 299.5729 -161438.4652 -108954.1309 299.9519 -80.9907 -56.3708 761282.4998 26.1303 25.9198 PRESSURE: 4465800 301.66 -110.381 153.338 -110.381 -203.802 94.5675 153.339 94.5682 -440.816 GPRESSURE: 4465800 358.948 -57.6494 263.175 -144.886 -242.883 93.4935 184.85 225.739 -387.931 PRESSAVG: 4465800 23.2421 -0.760912 -13.3148 -0.76088 -24.0918 45.0442 -13.3146 45.0443 7.07137 GPRESSAVG: 4465800 24.7444 -2.66931 -12.8277 0.805713 -24.6833 45.0386 -11.8239 45.7135 6.08117 TIMING: 4465800 CPU: 14171, 0.0031498/step Wall: 14171, 0.0031498/step, 0.467396 hours remaining, 240.039062 MB of memory in use. ENERGY: 4465800 3939.0619 20627.5127 14441.8625 233.8322 -203194.8208 2483.4311 0.0000 0.0000 52186.6830 -109282.4374 299.9176 -161469.1204 -108936.6400 299.6722 -114.3192 -90.6221 761231.6907 2.0739 2.0474 PRESSURE: 4466000 74.9794 -81.827 108.818 -81.8262 289.354 -44.0389 108.819 -44.039 525.839 GPRESSURE: 4466000 99.8484 -7.95389 196.449 -48.2305 302.739 -66.0715 -24.2751 -65.4873 559.669 PRESSAVG: 4466000 -3.90633 29.4247 63.715 29.4246 31.5803 25.1202 63.715 25.1202 -0.436051 GPRESSAVG: 4466000 -4.242 31.658 62.7501 28.3868 30.7211 28.1482 62.4942 24.8156 0.990295 TIMING: 4466000 CPU: 14171.6, 0.00317052/step Wall: 14171.6, 0.00317052/step, 0.470294 hours remaining, 240.039062 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: 4466000 3957.4684 20545.4614 14427.3921 238.1178 -202678.1531 2232.6577 0.0000 0.0000 51997.6044 -109279.4512 298.8309 -161277.0556 -108925.0164 299.8562 296.7244 320.7520 761373.7318 9.0793 9.1565 PRESSURE: 4466200 67.6976 184.601 -52.9237 184.6 3.96932 208.203 -52.9241 208.203 -125.694 GPRESSURE: 4466200 62.3585 167.604 14.5823 70.444 56.4918 243.495 -105.956 120.616 -86.1532 PRESSAVG: 4466200 -45.5334 -4.82752 30.1187 -4.82753 60.4124 -43.7571 30.1188 -43.757 8.25414 GPRESSAVG: 4466200 -44.7792 -4.08569 30.5527 -5.35656 59.7651 -45.4467 28.2291 -45.5252 8.135 TIMING: 4466200 CPU: 14172.3, 0.00317324/step Wall: 14172.3, 0.00317324/step, 0.47052 hours remaining, 240.039062 MB of memory in use. ENERGY: 4466200 4092.5553 20450.2402 14494.4250 207.2913 -203404.4510 2735.0757 0.0000 0.0000 51929.2020 -109495.6616 298.4378 -161424.8635 -109139.9431 299.6392 -18.0092 10.8990 760768.6765 7.7110 7.7070 PRESSURE: 4466400 43.6121 150.157 68.5154 150.156 192.684 -60.4179 68.5155 -60.4191 -88.5012 GPRESSURE: 4466400 55.5129 308.467 124.614 54.3119 227.405 -91.1586 116.441 -56.826 -51.9186 PRESSAVG: 4466400 -36.2725 39.3536 68.9336 39.3536 44.8036 8.96647 68.9335 8.96651 0.799505 GPRESSAVG: 4466400 -36.5468 36.7644 70.0993 40.4505 45.3827 7.68216 69.3012 10.3929 1.17158 TIMING: 4466400 CPU: 14172.9, 0.00313684/step Wall: 14172.9, 0.00313684/step, 0.46495 hours remaining, 240.039062 MB of memory in use. ENERGY: 4466400 4012.7085 20410.7680 14453.9933 244.6283 -203189.1630 2426.9108 0.0000 0.0000 52073.1081 -109567.0461 299.2649 -161640.1541 -109205.3926 298.5791 49.2649 76.9996 762330.3685 3.1102 3.3358 PRESSURE: 4466600 -449.176 143.865 -96.3523 143.864 -391.652 -100.649 -96.3528 -100.649 -108.173 GPRESSURE: 4466600 -361.56 74.8121 -146.607 239.973 -421.788 -61.9758 -17.4246 -84.0704 -103.405 PRESSAVG: 4466600 56.6811 66.2825 26.6065 66.2825 -37.3633 -10.6573 26.6065 -10.6574 -26.6555 GPRESSAVG: 4466600 59.1948 67.0292 24.887 65.0564 -38.4396 -8.96406 28.5152 -10.5976 -27.3417 TIMING: 4466600 CPU: 14173.5, 0.00314138/step Wall: 14173.5, 0.00314138/step, 0.465448 hours remaining, 240.039062 MB of memory in use. ENERGY: 4466600 3990.2109 20369.4027 14504.2371 246.7024 -203119.2801 2403.6225 0.0000 0.0000 52153.7392 -109451.3654 299.7283 -161605.1046 -109080.2843 298.8879 -316.3337 -295.5840 762475.9577 -2.4459 -2.1955 PRESSURE: 4466800 150.445 -47.453 225.625 -47.4521 -282.903 72.7539 225.625 72.7535 -95.8681 GPRESSURE: 4466800 166.763 -34.6302 267.273 -99.4458 -236.203 81.7213 111.399 58.4583 -85.4239 PRESSAVG: 4466800 31.2961 3.59421 -6.57665 3.5942 30.0289 5.51629 -6.5766 5.51623 13.9559 GPRESSAVG: 4466800 30.2888 4.1288 -6.57492 3.40508 31.2082 5.31171 -8.63814 4.42002 14.3079 TIMING: 4466800 CPU: 14174.2, 0.00315156/step Wall: 14174.2, 0.00315156/step, 0.466781 hours remaining, 240.039062 MB of memory in use. ENERGY: 4466800 3997.9492 20499.6378 14476.4075 245.2829 -202635.0871 2013.8905 0.0000 0.0000 51796.6711 -109605.2480 297.6762 -161401.9191 -109246.6049 299.0304 -76.1085 -51.6213 761749.5790 25.0936 25.2683 PRESSURE: 4467000 -373.069 137.577 -213.15 137.578 82.1537 58.5132 -213.15 58.5135 -124.672 GPRESSURE: 4467000 -308.957 107.544 -130.561 284.707 29.4659 57.5247 -121.425 -78.6287 -61.9053 PRESSAVG: 4467000 18.9856 15.1794 40.3987 15.1794 -17.4389 -9.56889 40.3987 -9.56886 -5.83174 GPRESSAVG: 4467000 18.482 14.0598 40.1358 18.7007 -17.9626 -11.3328 41.9179 -6.79541 -5.40155 TIMING: 4467000 CPU: 14174.8, 0.00316322/step Wall: 14174.8, 0.00316322/step, 0.468333 hours remaining, 240.039062 MB of memory in use. ENERGY: 4467000 4008.3804 20396.0965 14512.9222 247.1450 -203418.5383 2607.0205 0.0000 0.0000 52048.4833 -109598.4904 299.1233 -161646.9737 -109233.4815 298.5182 -138.5291 -113.7989 760002.3257 -1.4283 -1.6274 PRESSURE: 4467200 98.8673 154.823 -61.7984 154.823 -199.544 -32.4482 -61.7976 -32.4483 286.269 GPRESSURE: 4467200 121.436 201.736 -73.4081 212.418 -196.074 -201.069 -59.998 66.8899 341.691 PRESSAVG: 4467200 -10.3681 17.4745 12.9973 17.4744 16.5617 11.7315 12.9972 11.7316 2.75701 GPRESSAVG: 4467200 -10.4439 17.9831 13.0552 16.6011 17.5098 12.6126 12.3551 8.89975 1.96029 TIMING: 4467200 CPU: 14175.4, 0.00317093/step Wall: 14175.4, 0.00317093/step, 0.469297 hours remaining, 240.039062 MB of memory in use. ENERGY: 4467200 3955.3922 20391.6619 14482.9022 247.7565 -203074.1137 2384.0083 0.0000 0.0000 52146.3907 -109466.0019 299.6860 -161612.3926 -109105.8852 299.1116 61.8640 89.0181 760771.5815 2.9835 3.0087 PRESSURE: 4467400 -121.733 1.29437 3.75143 1.29468 -324.984 -23.728 3.75154 -23.727 -304.212 GPRESSURE: 4467400 -186.003 57.8932 43.6834 -6.60989 -262.406 -79.0103 57.046 1.99875 -238.794 PRESSAVG: 4467400 12.2895 0.158478 -30.9959 0.158531 -16.549 -27.1968 -30.996 -27.1968 -5.06294 GPRESSAVG: 4467400 11.9951 2.78488 -31.9756 -3.23521 -16.6934 -26.8145 -30.6062 -26.65 -5.15883 TIMING: 4467400 CPU: 14176.1, 0.00315612/step Wall: 14176.1, 0.00315612/step, 0.466931 hours remaining, 240.039062 MB of memory in use. ENERGY: 4467400 3961.6066 20342.8815 14492.3281 241.1086 -203285.6942 2292.1098 0.0000 0.0000 52235.3197 -109720.3398 300.1971 -161955.6596 -109355.1776 299.1913 -250.3097 -229.0676 761042.2391 -3.1075 -3.2857 PRESSURE: 4467600 -49.6235 189.031 -117.073 189.031 254.524 36.0492 -117.074 36.0477 152.631 GPRESSURE: 4467600 28.5791 167.406 -37.2704 166.616 278.22 22.0862 -85.1116 85.5422 140.719 PRESSAVG: 4467600 20.9602 -5.49755 29.4972 -5.49756 -25.7796 1.18399 29.4971 1.18401 5.21875 GPRESSAVG: 4467600 20.9059 -7.4685 31.4755 -2.76298 -27.1054 1.17862 28.423 0.636198 6.38368 TIMING: 4467600 CPU: 14176.7, 0.00316037/step Wall: 14176.7, 0.00316037/step, 0.467383 hours remaining, 240.039062 MB of memory in use. ENERGY: 4467600 3990.8508 20461.8272 14383.6962 238.0079 -203597.6106 2705.5726 0.0000 0.0000 52128.7700 -109688.8860 299.5848 -161817.6560 -109320.5588 298.8033 119.1772 149.1725 759468.3960 0.1331 0.0614 PRESSURE: 4467800 -14.0319 161.107 -85.1918 161.107 26.1089 -47.7626 -85.192 -47.7637 57.7535 GPRESSURE: 4467800 -4.17762 76.3165 -51.0233 183.329 119.832 -122.119 -21.5019 -152.341 35.1962 PRESSAVG: 4467800 -21.8525 2.05499 20.5326 2.05504 14.2017 -56.7937 20.5326 -56.7937 -3.186 GPRESSAVG: 4467800 -22.8318 1.49092 20.0531 2.3548 14.9092 -56.0262 21.0146 -54.9925 -2.58445 TIMING: 4467800 CPU: 14177.3, 0.00316645/step Wall: 14177.3, 0.00316645/step, 0.468107 hours remaining, 240.039062 MB of memory in use. ENERGY: 4467800 4084.6856 20491.1519 14420.9624 250.5040 -203859.0690 2772.7973 0.0000 0.0000 52268.0928 -109570.8751 300.3854 -161838.9679 -109204.8497 299.1249 23.2768 50.2837 759167.1875 -3.6123 -3.5023 PRESSURE: 4468000 -265.308 77.3315 51.6331 77.3306 -179.691 -165.922 51.6332 -165.924 -253 GPRESSURE: 4468000 -193.785 -17.8099 60.7211 10.7281 -260.785 -165.165 60.1005 -252.52 -169.465 PRESSAVG: 4468000 -6.84781 -0.756356 -0.310198 -0.756308 -23.6441 -37.1176 -0.310232 -37.1176 -10.1936 GPRESSAVG: 4468000 -5.58769 0.830756 -1.65646 -2.72849 -24.6099 -36.8495 -1.99791 -36.691 -10.3358 TIMING: 4468000 CPU: 14178, 0.00316985/step Wall: 14178, 0.00316985/step, 0.468434 hours remaining, 240.039062 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: 4468000 3997.2450 20518.2933 14428.2778 257.9830 -202924.6825 2267.7300 0.0000 0.0000 51894.3058 -109560.8476 298.2373 -161455.1534 -109199.1046 299.0177 -232.6662 -208.0116 761248.8715 -13.5618 -13.5111 PRESSURE: 4468200 -672.642 44.208 162.187 44.208 -81.9397 231.576 162.188 231.574 -580.839 GPRESSURE: 4468200 -551.463 22.2162 135.888 89.7047 -145.309 257.055 194.911 280.183 -550.335 PRESSAVG: 4468200 -28.0398 -21.1338 8.63708 -21.1338 41.569 30.049 8.63714 30.049 -4.2905 GPRESSAVG: 4468200 -28.9467 -20.6918 7.94805 -19.4675 42.9326 29.4962 10.6025 28.9579 -4.85178 TIMING: 4468200 CPU: 14178.6, 0.003163/step Wall: 14178.6, 0.003163/step, 0.467246 hours remaining, 240.039062 MB of memory in use. ENERGY: 4468200 3940.8456 20425.0125 14426.3739 243.6970 -202865.3754 2062.8690 0.0000 0.0000 51947.8604 -109818.7170 298.5451 -161766.5774 -109453.9430 298.8742 -445.1402 -415.7022 760392.1837 3.0795 3.0447 LDB: ============= START OF LOAD BALANCING ============== 14191 LDB: ============== END OF LOAD BALANCING =============== 14191 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14191 LDB: ============= START OF LOAD BALANCING ============== 14191.4 LDB: Largest compute 7069 load 0.034587 is 17.7% of average load 0.195516 LDB: Average compute 0.004388 is 2.2% of average load 0.195516 LDB: TIME 14191.4 LOAD: AVG 0.195516 MAX 0.218387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.352 MB LDB: TIME 14191.4 LOAD: AVG 0.195516 MAX 0.218387 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.355 MB LDB: TIME 14191.4 LOAD: AVG 0.195516 MAX 0.217589 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.355 MB LDB: ============== END OF LOAD BALANCING =============== 14191.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14191.4 PRESSURE: 4468400 -158.509 40.0664 -239.4 40.067 -147.75 116.752 -239.4 116.752 -33.7034 GPRESSURE: 4468400 -33.3356 -8.48102 -171.762 -55.9629 -217.29 82.2441 -278.273 87.0948 -22.0689 PRESSAVG: 4468400 4.54044 -20.2263 48.6561 -20.2263 15.7273 14.586 48.656 14.5859 -4.55902 GPRESSAVG: 4468400 5.48107 -20.2542 48.9224 -21.2871 14.6502 14.0696 44.6786 15.4452 -4.65336 TIMING: 4468400 CPU: 14179.2, 0.00323614/step Wall: 14179.2, 0.00323614/step, 0.47787 hours remaining, 240.808594 MB of memory in use. ENERGY: 4468400 3966.5312 20470.0289 14453.3829 265.8415 -203242.0483 2401.8700 0.0000 0.0000 51829.2693 -109855.1244 297.8635 -161684.3938 -109496.8144 298.7562 -113.3208 -90.8982 760303.6016 5.2362 5.1593 PRESSURE: 4468600 -21.6926 70.5803 52.928 70.5805 -326.126 77.7603 52.9286 77.7595 -3.04231 GPRESSURE: 4468600 88.7175 126.589 93.6927 95.2307 -310.279 61.2841 -30.046 -45.7712 -36.0162 PRESSAVG: 4468600 52.4659 -32.8283 19.9664 -32.8283 -64.9642 -9.83641 19.9664 -9.83635 -3.61497 GPRESSAVG: 4468600 51.6908 -33.7784 20.4954 -32.3544 -65.3975 -9.84596 20.7511 -8.74667 -2.41632 TIMING: 4468600 CPU: 14179.9, 0.00316649/step Wall: 14179.9, 0.00316649/step, 0.467409 hours remaining, 240.808594 MB of memory in use. ENERGY: 4468600 4009.0054 20559.2387 14427.3640 244.1641 -203449.3595 2510.5017 0.0000 0.0000 52002.8108 -109696.2747 298.8609 -161699.0855 -109332.2870 298.3609 -116.9537 -85.8592 760203.7704 -5.3711 -5.3743 PRESSURE: 4468800 -757.77 238.249 67.5414 238.249 -359.263 111.678 67.541 111.678 -514.798 GPRESSURE: 4468800 -629.767 153.368 126.881 185.211 -321.542 70.2076 -5.22512 -4.29515 -610.789 PRESSAVG: 4468800 -15.0504 -36.2335 -46.5098 -36.2334 -19.6817 -16.341 -46.5097 -16.3411 -8.47666 GPRESSAVG: 4468800 -13.8286 -34.3833 -47.4816 -37.1924 -19.3067 -16.3704 -44.3886 -16.6365 -9.46929 TIMING: 4468800 CPU: 14180.5, 0.00316217/step Wall: 14180.5, 0.00316217/step, 0.466596 hours remaining, 240.808594 MB of memory in use. ENERGY: 4468800 4038.9961 20532.2795 14492.8214 228.3939 -203075.8142 2179.7627 0.0000 0.0000 51921.0041 -109682.5564 298.3907 -161603.5605 -109308.6228 299.2200 -543.9438 -520.6992 762033.0296 -14.4029 -14.2015 PRESSURE: 4469000 103.011 173.891 -86.9057 173.89 -65.3297 -21.5539 -86.9056 -21.5538 580.471 GPRESSURE: 4469000 189.481 172.165 -84.5199 173.904 -81.0748 -80.6891 -101.098 64.3413 590.264 PRESSAVG: 4469000 -3.32439 9.9793 -43.3404 9.97925 -44.5219 -0.767774 -43.3403 -0.767833 33.5542 GPRESSAVG: 4469000 -5.42684 9.04452 -42.482 10.0997 -43.7885 -0.459977 -44.2711 -2.8395 34.8404 TIMING: 4469000 CPU: 14181.1, 0.00315942/step Wall: 14181.1, 0.00315942/step, 0.466014 hours remaining, 240.808594 MB of memory in use. ENERGY: 4469000 3866.1598 20443.3378 14446.6765 248.9600 -203749.0172 2833.8702 0.0000 0.0000 51995.9675 -109914.0455 298.8215 -161910.0130 -109545.6004 298.4732 206.0508 232.8901 760225.2164 -4.7640 -4.7916 PRESSURE: 4469200 237.224 -82.379 185.762 -82.3785 166.503 83.2829 185.761 83.2824 322.315 GPRESSURE: 4469200 315.693 -122.685 171.598 39.9204 177.755 80.3131 110 -108.165 295.514 PRESSAVG: 4469200 22.7182 -22.7837 6.51133 -22.7837 3.29208 -12.9248 6.51137 -12.9248 -27.3826 GPRESSAVG: 4469200 24.3973 -21.5571 4.68032 -22.294 2.3334 -13.2987 5.85826 -13.2859 -27.4943 TIMING: 4469200 CPU: 14181.8, 0.00317278/step Wall: 14181.8, 0.00317278/step, 0.467809 hours remaining, 240.808594 MB of memory in use. ENERGY: 4469200 3851.4727 20567.4085 14476.6480 261.6093 -203813.8927 2796.6933 0.0000 0.0000 51885.2244 -109974.8364 298.1851 -161860.0608 -109605.4308 298.2721 242.0140 262.9875 758006.0531 -0.4574 -0.2545 PRESSURE: 4469400 161.552 -129.559 25.9318 -129.56 -223.71 20.9289 25.9317 20.9295 160.246 GPRESSURE: 4469400 151.308 -57.7941 -4.65624 -136.472 -112.609 1.13424 61.0345 -3.83688 145.876 PRESSAVG: 4469400 13.9797 10.3967 -63.4445 10.3967 -24.1237 21.0764 -63.4446 21.0764 14.6478 GPRESSAVG: 4469400 12.2661 10.5908 -63.4548 12.0285 -22.1348 21.13 -62.5266 20.477 14.2656 TIMING: 4469400 CPU: 14182.4, 0.00316208/step Wall: 14182.4, 0.00316208/step, 0.466056 hours remaining, 240.808594 MB of memory in use. ENERGY: 4469400 3970.2586 20391.4570 14463.7803 257.4830 -203521.5581 2398.3665 0.0000 0.0000 52034.7437 -110005.4690 299.0444 -162040.2127 -109634.4769 298.3064 32.6960 61.5252 758951.8682 1.5012 1.4656 PRESSURE: 4469600 -27.3207 -42.4105 -271.043 -42.4116 -327.039 90.4877 -271.042 90.4876 -100.822 GPRESSURE: 4469600 -4.43617 -100.074 -313.998 -151.839 -206.552 44.0337 -232.681 53.1346 -153.814 PRESSAVG: 4469600 -3.49134 -11.881 -85.0127 -11.881 -22.4453 -7.83041 -85.0127 -7.83033 31.9661 GPRESSAVG: 4469600 -2.90337 -14.149 -83.6868 -12.0188 -23.3268 -10.0812 -85.6287 -5.95151 32.4447 TIMING: 4469600 CPU: 14183, 0.00314895/step Wall: 14183, 0.00314895/step, 0.463945 hours remaining, 240.808594 MB of memory in use. ENERGY: 4469600 3969.7092 20494.5817 14491.1835 254.0498 -203272.3152 2304.0594 0.0000 0.0000 51883.7052 -109875.0264 298.1764 -161758.7316 -109516.1314 297.9559 -151.7273 -121.6007 760125.0660 2.0098 2.0715 PRESSURE: 4469800 -174.387 121.778 -127.125 121.779 55.4345 -35.3889 -127.125 -35.3891 -322.293 GPRESSURE: 4469800 -121.724 75.3239 -151.697 112.316 68.8994 -15.5726 -61.6884 -19.7877 -306.524 PRESSAVG: 4469800 18.5087 -11.3351 -86.6624 -11.335 6.93376 19.0753 -86.6624 19.0754 -4.40846 GPRESSAVG: 4469800 19.3828 -9.72613 -85.4369 -12.4475 6.48998 18.784 -85.7693 19.6755 -5.12068 TIMING: 4469800 CPU: 14183.7, 0.00315218/step Wall: 14183.7, 0.00315218/step, 0.464246 hours remaining, 240.808594 MB of memory in use. ENERGY: 4469800 3978.8496 20273.5556 14474.5912 220.8647 -203094.0834 2350.5286 0.0000 0.0000 51968.1165 -109827.5771 298.6615 -161795.6936 -109464.3710 298.5450 -147.0818 -119.7829 759663.6583 7.0113 6.9174 PRESSURE: 4470000 -162.959 165.462 -33.9646 165.463 -343.142 -157.058 -33.9641 -157.058 -106.877 GPRESSURE: 4470000 -154 93.8215 -51.3597 134.484 -317.157 -255.246 33.9143 -237.608 -61.808 PRESSAVG: 4470000 10.0749 36.0163 -10.39 36.0163 -27.3995 -61.0391 -10.3899 -61.0391 -9.25372 GPRESSAVG: 4470000 8.16525 35.7991 -12.2193 36.5336 -26.2679 -59.7625 -12.1199 -61.2661 -8.90482 TIMING: 4470000 CPU: 14184.3, 0.00316763/step Wall: 14184.3, 0.00316763/step, 0.466345 hours remaining, 240.808594 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: 4470000 4016.8705 20326.5422 14458.8070 251.6048 -203463.6740 2384.4831 0.0000 0.0000 52326.7423 -109698.6241 300.7225 -162025.3664 -109326.1815 298.7565 -204.3259 -177.6552 760171.1191 -8.8595 -9.0025 PRESSURE: 4470200 -219.891 -129.362 167.157 -129.362 133.832 66.2936 167.156 66.2936 69.2257 GPRESSURE: 4470200 -151.229 -120.554 61.854 -74.2863 120.95 53.647 325.926 34.2092 108.04 PRESSAVG: 4470200 90.5959 97.6872 -28.9778 97.6872 -54.8651 29.0218 -28.9778 29.0219 3.19711 GPRESSAVG: 4470200 90.747 98.4016 -29.4019 96.681 -55.8969 28.9454 -27.1515 28.5048 3.7194 TIMING: 4470200 CPU: 14184.9, 0.00314348/step Wall: 14184.9, 0.00314348/step, 0.462615 hours remaining, 240.808594 MB of memory in use. ENERGY: 4470200 3999.3079 20454.0597 14522.8642 256.3312 -203431.2165 2594.3582 0.0000 0.0000 51874.5408 -109729.7546 298.1237 -161604.2954 -109363.0330 299.4816 -5.6112 25.9205 760319.7247 12.9760 12.8565 PRESSURE: 4470400 -173.229 -176.055 -104.543 -176.056 -305.274 -59.6432 -104.544 -59.6432 -380.322 GPRESSURE: 4470400 -164.303 -56.5925 -161.324 -247.396 -218.243 23.4322 -191.193 -8.92611 -362.068 PRESSAVG: 4470400 19.9405 -9.27442 -16.6985 -9.27443 -52.6143 10.9776 -16.6986 10.9775 2.63315 GPRESSAVG: 4470400 20.4593 -8.97497 -16.2072 -9.74946 -52.7507 11.2569 -18.3072 10.8431 3.18414 TIMING: 4470400 CPU: 14185.6, 0.00315486/step Wall: 14185.6, 0.00315487/step, 0.464116 hours remaining, 240.808594 MB of memory in use. ENERGY: 4470400 3919.8660 20507.5710 14519.2607 251.8474 -203306.0493 2403.5363 0.0000 0.0000 51893.2324 -109810.7354 298.2311 -161703.9678 -109449.9963 298.9662 -286.2753 -248.2046 761688.8502 -10.0136 -9.7024 PRESSURE: 4470600 -80.1502 125.177 33.9366 125.177 -308.31 397.644 33.937 397.644 -407.806 GPRESSURE: 4470600 38.1486 126.036 136.555 113.381 -330.839 357.861 29.3163 337.884 -449.31 PRESSAVG: 4470600 52.823 33.001 -58.3103 33.001 -71.1911 10.3026 -58.3103 10.3026 -9.17552 GPRESSAVG: 4470600 53.4627 30.4582 -57.3591 34.4005 -70.8859 10.4493 -58.6414 10.6951 -11.0069 TIMING: 4470600 CPU: 14186.2, 0.00315327/step Wall: 14186.2, 0.00315327/step, 0.463706 hours remaining, 240.808594 MB of memory in use. ENERGY: 4470600 4084.6571 20486.6591 14461.4003 243.8070 -203811.9659 2495.5184 0.0000 0.0000 52391.2819 -109648.6421 301.0934 -162039.9240 -109297.6996 299.6655 -265.4222 -247.3335 760085.6000 -9.1812 -9.4767 PRESSURE: 4470800 -77.3737 153.276 -167.79 153.276 -28.277 15.3953 -167.791 15.3945 -174.952 GPRESSURE: 4470800 -95.7287 167.024 -127.342 71.076 76.8286 76.7688 -211.131 40.0544 -159.664 PRESSAVG: 4470800 17.1239 -32.9868 4.20683 -32.9868 36.7702 44.4017 4.2068 44.4017 21.8676 GPRESSAVG: 4470800 15.9027 -32.0666 2.79548 -33.203 37.2824 43.2829 5.47155 44.1364 22.5679 TIMING: 4470800 CPU: 14186.8, 0.00314123/step Wall: 14186.8, 0.00314123/step, 0.461761 hours remaining, 240.808594 MB of memory in use. ENERGY: 4470800 3955.4964 20403.8628 14512.8635 248.1371 -203529.9910 2528.8459 0.0000 0.0000 51956.6805 -109924.1047 298.5958 -161880.7853 -109568.5018 299.2449 -93.5342 -59.5214 760893.5453 25.2539 25.2510 PRESSURE: 4471000 87.0826 -1.96983 -225.729 -1.9705 43.8032 196.629 -225.729 196.629 -15.6018 GPRESSURE: 4471000 27.5609 114.604 -282.572 0.00433227 155.813 235.721 -122.435 88.1781 5.02569 PRESSAVG: 4471000 31.9517 51.4756 -44.0776 51.4756 -17.7458 62.6769 -44.0776 62.677 14.0388 GPRESSAVG: 4471000 32.2278 51.6597 -43.3665 53.0028 -18.1372 63.2231 -45.2676 63.0267 13.8386 TIMING: 4471000 CPU: 14187.4, 0.00314269/step Wall: 14187.4, 0.00314269/step, 0.461802 hours remaining, 240.808594 MB of memory in use. ENERGY: 4471000 3981.0456 20434.5802 14432.7253 239.8314 -203268.3369 2257.3788 0.0000 0.0000 52113.4847 -109809.2910 299.4969 -161922.7757 -109443.1507 299.0963 38.4280 62.7999 760180.4124 9.4149 9.3097 PRESSURE: 4471200 310.269 3.43314 -44.7283 3.43369 -67.2888 63.7041 -44.728 63.7027 165.034 GPRESSURE: 4471200 397.111 17.3571 8.83012 50.709 -8.64567 88.9569 64.9152 51.7911 116.018 PRESSAVG: 4471200 -2.69675 -12.9937 33.2271 -12.9938 9.45622 51.4579 33.2271 51.4579 -8.18035 GPRESSAVG: 4471200 -1.79138 -13.8613 33.1157 -15.3717 8.45561 50.4045 35.9531 50.9301 -7.81406 TIMING: 4471200 CPU: 14188.1, 0.00313966/step Wall: 14188.1, 0.00313966/step, 0.461181 hours remaining, 240.808594 MB of memory in use. ENERGY: 4471200 4000.0233 20418.5643 14452.6153 255.3727 -203790.8561 2704.6916 0.0000 0.0000 52220.9600 -109738.6291 300.1146 -161959.5891 -109368.3674 299.2442 136.0049 168.1609 759731.1586 -0.4736 -0.3833 PRESSURE: 4471400 -201.166 -39.8072 152.733 -39.8071 -64.1478 98.5458 152.733 98.545 -88.8841 GPRESSURE: 4471400 -225.285 -7.77754 118.786 -25.9892 -47.3304 133.849 103.199 218.657 -19.3664 PRESSAVG: 4471400 23.0357 0.770643 42.282 0.770649 -28.8484 25.7996 42.282 25.7996 6.42154 GPRESSAVG: 4471400 21.9832 0.559235 43.9488 2.88722 -28.1655 26.7402 39.8639 25.9497 6.56063 TIMING: 4471400 CPU: 14188.7, 0.00313712/step Wall: 14188.7, 0.00313712/step, 0.460634 hours remaining, 240.808594 MB of memory in use. ENERGY: 4471400 3994.7759 20479.3216 14413.9001 254.3009 -203339.2031 2463.7835 0.0000 0.0000 51943.7384 -109789.3827 298.5214 -161733.1211 -109425.2271 299.1251 -118.0661 -97.3271 761839.4681 0.2030 0.1261 PRESSURE: 4471600 56.9958 -116.962 67.7664 -116.963 -27.4116 -138.791 67.7654 -138.791 171.827 GPRESSURE: 4471600 146.136 -93.1082 54.3652 -154.837 -24.4409 -160.861 -14.4925 -169.097 173.044 PRESSAVG: 4471600 11.2536 37.6281 -38.7265 37.628 -3.17314 -5.65231 -38.7265 -5.65224 -12.0396 GPRESSAVG: 4471600 10.8306 37.5673 -39.3675 35.2952 -3.10886 -6.40818 -38.8244 -5.66447 -10.8821 TIMING: 4471600 CPU: 14189.3, 0.00315566/step Wall: 14189.3, 0.00315566/step, 0.463181 hours remaining, 240.808594 MB of memory in use. ENERGY: 4471600 3919.5306 20409.1263 14434.3532 231.0937 -203679.6638 2756.7665 0.0000 0.0000 52192.8415 -109735.9521 299.9530 -161928.7936 -109380.9893 299.1834 67.1371 98.2464 761707.0467 -1.3197 -1.0534 PRESSURE: 4471800 -93.0945 -172.368 165.193 -172.368 67.5317 -134.943 165.193 -134.942 -34.4247 GPRESSURE: 4471800 -102.771 -127.411 152.773 7.06665 120.269 -212.006 201.327 -105.92 -19.529 PRESSAVG: 4471800 87.6883 19.3645 -33.2812 19.3644 -20.4381 -2.6181 -33.2811 -2.61808 30.484 GPRESSAVG: 4471800 88.6185 21.5887 -32.6891 19.4596 -21.2783 -2.93952 -33.165 -1.80129 30.2929 TIMING: 4471800 CPU: 14190, 0.00316904/step Wall: 14190, 0.00316904/step, 0.464968 hours remaining, 240.808594 MB of memory in use. ENERGY: 4471800 3919.2728 20526.8075 14443.0121 230.5162 -203717.6469 2692.1351 0.0000 0.0000 52183.8088 -109722.0944 299.9011 -161905.9032 -109354.6586 298.8958 -19.9958 -0.6770 761102.8309 32.5781 32.5444 PRESSURE: 4472000 -402.032 273.897 67.2631 273.897 -206.213 121.694 67.2637 121.693 -368.038 GPRESSURE: 4472000 -329.949 186.177 43.1231 161.021 -185.584 98.0028 18.1598 96.28 -390.888 PRESSAVG: 4472000 -35.2529 -6.2647 -30.458 -6.26472 0.175371 44.043 -30.458 44.0429 -5.39417 GPRESSAVG: 4472000 -35.354 -8.69887 -31.0193 -5.13717 0.870884 44.3709 -31.0322 44.4548 -5.95113 TIMING: 4472000 CPU: 14190.6, 0.00315911/step Wall: 14190.6, 0.00315912/step, 0.463337 hours remaining, 240.808594 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: 4472000 4007.0186 20515.4904 14448.6007 267.6696 -203556.4011 2519.8187 0.0000 0.0000 52056.7832 -109741.0200 299.1710 -161797.8031 -109389.3410 298.6823 -325.4277 -302.1404 761756.6123 -13.4906 -13.4781 PRESSURE: 4472200 -245.007 -70.4691 -216.053 -70.4697 12.0211 -101.386 -216.053 -101.386 -85.9396 GPRESSURE: 4472200 -193.55 47.704 -253.862 -227.911 56.6921 -140.121 -108.496 -50.6649 -66.1305 PRESSAVG: 4472200 -6.17096 -52.0795 -44.454 -52.0796 22.4449 46.7769 -44.4539 46.777 3.37574 GPRESSAVG: 4472200 -5.84797 -49.3469 -44.2083 -52.9964 22.7871 47.0852 -45.5667 46.001 3.29332 TIMING: 4472200 CPU: 14191.2, 0.00315544/step Wall: 14191.2, 0.00315544/step, 0.462622 hours remaining, 240.808594 MB of memory in use. ENERGY: 4472200 4005.1730 20481.3847 14440.3362 234.9527 -203606.1921 2628.9516 0.0000 0.0000 52221.4499 -109593.9440 300.1174 -161815.3938 -109230.9642 299.3314 -106.3084 -67.6627 761950.4615 6.5499 6.7441 LDB: ============= START OF LOAD BALANCING ============== 14203.7 LDB: ============== END OF LOAD BALANCING =============== 14203.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14203.7 LDB: ============= START OF LOAD BALANCING ============== 14204 LDB: Largest compute 7078 load 0.033461 is 17.1% of average load 0.195444 LDB: Average compute 0.004370 is 2.2% of average load 0.195444 LDB: TIME 14204 LOAD: AVG 0.195444 MAX 0.216689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 14204 LOAD: AVG 0.195444 MAX 0.216689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.734 MB LDB: TIME 14204 LOAD: AVG 0.195444 MAX 0.216689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.734 MB LDB: ============== END OF LOAD BALANCING =============== 14204 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14204 PRESSURE: 4472400 -9.24 -9.84588 183.246 -9.84548 169.889 -9.10149 183.246 -9.10263 75.2544 GPRESSURE: 4472400 -7.22662 -103.161 279.319 168.883 155.683 7.31 171.436 -37.0385 178.17 PRESSAVG: 4472400 -19.1756 0.75985 9.26743 0.759843 18.8682 1.93662 9.26734 1.93656 -22.3193 GPRESSAVG: 4472400 -18.7067 -3.06178 8.52194 1.20593 18.4755 2.48884 10.8621 1.56766 -22.153 TIMING: 4472400 CPU: 14191.9, 0.0032268/step Wall: 14191.9, 0.0032268/step, 0.472906 hours remaining, 239.527344 MB of memory in use. ENERGY: 4472400 4051.3643 20700.9649 14451.8932 238.2396 -203747.6647 2732.2160 0.0000 0.0000 52136.4022 -109436.5846 299.6286 -161572.9868 -109080.6535 299.6209 78.6343 108.8756 760947.6347 -7.5422 -7.4614 PRESSURE: 4472600 -192.803 13.8216 27.5532 13.8217 -59.2615 173.568 27.5534 173.567 -298.917 GPRESSURE: 4472600 -156.316 46.0365 -17.4082 -24.1772 37.886 117.662 18.5601 84.3528 -338.938 PRESSAVG: 4472600 27.8335 -9.10646 1.92256 -9.10643 14.867 24.7799 1.92265 24.7798 25.3764 GPRESSAVG: 4472600 27.1279 -7.55243 1.22548 -8.77576 15.0187 25.3392 1.87101 24.7082 25.4038 TIMING: 4472600 CPU: 14192.5, 0.00314375/step Wall: 14192.5, 0.00314375/step, 0.460559 hours remaining, 239.730469 MB of memory in use. ENERGY: 4472600 3972.3787 20653.9920 14417.8127 250.7366 -203491.9513 2681.0182 0.0000 0.0000 52060.0386 -109455.9744 299.1898 -161516.0130 -109089.1816 300.0858 -183.6604 -152.4561 763536.2555 22.6923 22.5168 PRESSURE: 4472800 228.155 143.698 -87.52 143.698 -156.786 -25.2158 -87.5197 -25.2157 470.059 GPRESSURE: 4472800 236.372 141.503 -127.127 117.013 -72.1631 -20.7985 -60.0012 -18.3454 456.126 PRESSAVG: 4472800 -8.78965 14.3972 6.93958 14.3971 26.6107 25.1241 6.93952 25.124 4.68132 GPRESSAVG: 4472800 -8.44882 14.1329 7.05764 18.1055 26.4718 24.6873 5.62759 23.9577 4.75668 TIMING: 4472800 CPU: 14193.1, 0.0031576/step Wall: 14193.1, 0.0031576/step, 0.462414 hours remaining, 239.730469 MB of memory in use. ENERGY: 4472800 4014.7540 20555.6931 14411.9805 244.9473 -203552.0342 2868.8387 0.0000 0.0000 52018.5429 -109437.2777 298.9513 -161455.8206 -109079.4245 299.5071 180.4758 206.7784 761757.5117 7.5008 7.5932 PRESSURE: 4473000 28.1891 31.759 146.875 31.7593 -39.1728 -119.109 146.874 -119.109 -131.613 GPRESSURE: 4473000 -44.201 101.946 233.134 -29.5543 90.5384 -75.5401 59.8817 -165.611 -131.513 PRESSAVG: 4473000 19.6903 32.7154 63.5738 32.7155 3.51856 34.7194 63.5738 34.7193 9.19407 GPRESSAVG: 4473000 20.6873 33.7372 64.3559 30.1582 3.56431 34.8939 64.3608 35.7201 8.59851 TIMING: 4473000 CPU: 14193.8, 0.00313511/step Wall: 14193.8, 0.00313511/step, 0.458945 hours remaining, 239.730469 MB of memory in use. ENERGY: 4473000 4021.3835 20658.3459 14431.4234 246.7761 -202883.0248 2395.2317 0.0000 0.0000 51977.6644 -109152.1997 298.7164 -161129.8641 -108789.1225 300.0990 -47.5322 -28.3918 761354.7392 10.8010 10.9500 PRESSURE: 4473200 176.824 -48.6342 -176.053 -48.6349 -20.695 37.464 -176.054 37.4643 320.287 GPRESSURE: 4473200 159.778 -110.323 -58.8927 -9.08579 93.7748 63.6474 -228.493 11.074 311.9 PRESSAVG: 4473200 -38.6322 22.274 -1.06883 22.2739 -19.9998 -45.7769 -1.06889 -45.777 -15.1111 GPRESSAVG: 4473200 -40.4417 22.6632 -1.34133 19.9856 -18.6169 -44.8299 -0.331355 -45.4372 -14.6982 TIMING: 4473200 CPU: 14194.4, 0.00314704/step Wall: 14194.4, 0.00314704/step, 0.460517 hours remaining, 239.730469 MB of memory in use. ENERGY: 4473200 3943.0659 20642.9736 14431.3793 242.7283 -203539.5727 2933.4952 0.0000 0.0000 52126.3507 -109219.5798 299.5709 -161345.9304 -108850.9048 300.2359 158.8053 188.4844 760924.5581 -24.5810 -24.5856 PRESSURE: 4473400 37.348 92.2743 -108.028 92.2744 70.5414 -52.0697 -108.029 -52.0696 -251.316 GPRESSURE: 4473400 81.018 92.6401 -69.2095 38.5699 158.799 -113.147 -72.5175 -151.799 -315.914 PRESSAVG: 4473400 62.6642 -60.3589 36.6669 -60.3588 -7.48825 -5.6162 36.6669 -5.61613 -9.59424 GPRESSAVG: 4473400 63.8357 -61.1359 37.2285 -57.7213 -8.43383 -5.65707 35.8197 -6.91984 -9.90567 TIMING: 4473400 CPU: 14195, 0.00312959/step Wall: 14195, 0.00312959/step, 0.457789 hours remaining, 239.730469 MB of memory in use. ENERGY: 4473400 4011.6429 20670.5791 14453.3338 263.8193 -203171.5590 2632.8826 0.0000 0.0000 52024.9875 -109114.3138 298.9883 -161139.3012 -108754.5427 300.0041 -47.8087 -25.3656 761834.3271 15.1939 15.1654 PRESSURE: 4473600 27.8337 64.9883 184.026 64.9875 -229.718 -47.9108 184.025 -47.9113 -57.6304 GPRESSURE: 4473600 18.1959 59.809 130.899 -1.51119 -113.717 -34.7436 275.692 -50.7406 -68.7936 PRESSAVG: 4473600 8.09615 3.26711 -2.82076 3.26711 -31.9686 0.64701 -2.82081 0.647032 -4.26978 GPRESSAVG: 4473600 6.83197 4.36463 -3.72994 0.604769 -30.5071 -0.513545 -1.804 2.5801 -4.15696 TIMING: 4473600 CPU: 14195.6, 0.00314353/step Wall: 14195.6, 0.00314353/step, 0.459655 hours remaining, 239.730469 MB of memory in use. ENERGY: 4473600 4029.7334 20591.9309 14393.7933 258.0577 -203359.3940 2732.8736 0.0000 0.0000 52229.6019 -109123.4032 300.1642 -161353.0051 -108758.8189 300.3007 -86.5048 -54.7715 760589.7737 -9.3808 -9.2774 PRESSURE: 4473800 244.211 70.9287 -8.99846 70.9279 23.1279 31.0722 -8.99832 31.0711 -99.9535 GPRESSURE: 4473800 253.397 20.9034 19.2872 22.2331 50.2 52.4981 -77.0682 -55.2314 -64.3272 PRESSAVG: 4473800 37.1609 28.5062 23.5326 28.5062 -70.0205 -0.122947 23.5327 -0.122955 9.91369 GPRESSAVG: 4473800 39.2408 27.4465 24.2593 30.7498 -72.64 0.151992 21.7118 -0.528196 10.6271 TIMING: 4473800 CPU: 14196.3, 0.00314096/step Wall: 14196.3, 0.00314096/step, 0.459104 hours remaining, 239.730469 MB of memory in use. ENERGY: 4473800 3964.6352 20527.0603 14408.8698 243.4218 -203105.1610 2497.3081 0.0000 0.0000 52183.0168 -109280.8489 299.8965 -161463.8658 -108924.1621 300.2720 55.7951 79.7565 761773.0662 -7.6486 -7.5907 PRESSURE: 4474000 -35.7874 -84.1428 -198.137 -84.1429 -47.7434 -76.3816 -198.137 -76.3817 197.826 GPRESSURE: 4474000 18.9601 -64.3316 -154.88 -36.0718 -21.808 -162.812 -233.024 -81.7908 199.316 PRESSAVG: 4474000 14.7497 33.4306 42.1329 33.4305 -24.6079 -15.3587 42.1328 -15.3589 -10.066 GPRESSAVG: 4474000 13.2156 34.2943 42.109 32.2201 -23.9059 -14.3455 43.6846 -15.4448 -9.62382 TIMING: 4474000 CPU: 14196.9, 0.00312856/step Wall: 14196.9, 0.00312856/step, 0.457117 hours remaining, 239.730469 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: 4474000 3929.7511 20682.0315 14494.6376 240.8891 -203316.3005 2496.6085 0.0000 0.0000 52170.0546 -109302.3281 299.8220 -161472.3826 -108932.6036 299.8496 38.0983 65.4894 760270.7359 -6.6414 -6.7714 PRESSURE: 4474200 -471.679 71.0159 50.5833 71.0155 -388.408 -225.275 50.5834 -225.275 -200.737 GPRESSURE: 4474200 -458.926 78.335 103.572 3.44688 -326.699 -175.715 12.9714 -155.89 -223.041 PRESSAVG: 4474200 0.628188 -19.9701 35.5659 -19.97 -33.9553 -3.25133 35.5659 -3.25139 11.8031 GPRESSAVG: 4474200 1.02562 -20.7479 34.7798 -18.2844 -34.2123 -3.81526 35.8386 -3.54033 10.7643 TIMING: 4474200 CPU: 14197.5, 0.00312515/step Wall: 14197.5, 0.00312515/step, 0.456446 hours remaining, 239.730469 MB of memory in use. ENERGY: 4474200 4019.9814 20569.3811 14516.9570 257.2646 -202865.2198 2213.3841 0.0000 0.0000 52011.5094 -109276.7422 298.9109 -161288.2516 -108911.6394 300.0903 -353.6079 -336.2220 763232.0006 -7.1747 -7.4741 PRESSURE: 4474400 -10.6614 -25.8899 -22.2619 -25.8903 -54.2252 20.5279 -22.2618 20.5276 327.742 GPRESSURE: 4474400 -28.7711 40.4403 -29.2024 25.3863 -32.5215 52.7602 -7.62047 -48.2423 404.848 PRESSAVG: 4474400 24.6519 -4.03137 -20.4912 -4.03135 -66.8097 -22.9352 -20.4912 -22.9353 -30.3903 GPRESSAVG: 4474400 24.6305 -3.0992 -17.5862 -4.93532 -66.7447 -22.8387 -22.7306 -22.6281 -29.8127 TIMING: 4474400 CPU: 14198.1, 0.00311917/step Wall: 14198.1, 0.00311917/step, 0.455398 hours remaining, 239.730469 MB of memory in use. ENERGY: 4474400 3996.5654 20623.9373 14426.3468 237.3582 -203969.2758 2968.7447 0.0000 0.0000 52200.1456 -109516.1778 299.9950 -161716.3234 -109150.6044 299.8466 87.6185 114.5185 762347.2493 -24.1827 -23.9756 PRESSURE: 4474600 250.107 1.53278 -31.5005 1.53331 -113.295 197.973 -31.4999 197.973 -570.121 GPRESSURE: 4474600 245.289 14.2862 17.9249 -13.4397 -78.7908 293.119 14.4098 105.91 -518.062 PRESSAVG: 4474600 55.3331 13.4604 14.7203 13.4604 -3.41067 7.82741 14.7203 7.82732 -0.316236 GPRESSAVG: 4474600 54.445 12.5424 12.4625 14.2516 -3.36069 6.92174 15.1303 8.1238 0.281707 TIMING: 4474600 CPU: 14198.8, 0.00313153/step Wall: 14198.8, 0.00313153/step, 0.45703 hours remaining, 239.730469 MB of memory in use. ENERGY: 4474600 4035.6132 20696.2952 14422.9613 235.6711 -203366.8273 2491.0395 0.0000 0.0000 51950.5002 -109534.7469 298.5602 -161485.2471 -109180.3617 299.6412 -144.4362 -117.1880 762000.5851 17.2021 17.1220 PRESSURE: 4474800 -184.697 -130.408 95.6859 -130.409 -103.61 -12.7562 95.685 -12.7574 -196.619 GPRESSURE: 4474800 -143.502 -125.212 20.3884 -93.2989 -63.1168 7.23553 57.1596 50.8849 -187.61 PRESSAVG: 4474800 26.9605 -19.7336 -0.17301 -19.7336 -55.9363 -11.8879 -0.173022 -11.8878 23.9479 GPRESSAVG: 4474800 28.1149 -20.4639 1.82516 -20.7079 -55.4978 -10.8153 1.12514 -14.0814 22.6484 TIMING: 4474800 CPU: 14199.4, 0.00315193/step Wall: 14199.4, 0.00315193/step, 0.459832 hours remaining, 239.730469 MB of memory in use. ENERGY: 4474800 3978.2088 20486.7010 14445.1783 240.0531 -203709.3594 2856.9363 0.0000 0.0000 51954.8235 -109747.4584 298.5851 -161702.2819 -109393.9778 299.2738 -161.6419 -131.4097 762371.5700 -1.6760 -1.5782 PRESSURE: 4475000 -200.133 -249.973 -63.4408 -249.972 -315.893 -169.383 -63.442 -169.383 -470.796 GPRESSURE: 4475000 -171.226 -145.779 -85.8545 -192.161 -262.834 -165.155 -50.767 -17.1263 -465.346 PRESSAVG: 4475000 25.3874 -16.6595 -9.61494 -16.6596 16.1652 20.0221 -9.61493 20.0221 1.84855 GPRESSAVG: 4475000 25.0633 -13.4064 -11.1418 -16.1834 15.2545 20.2356 -10.4181 21.696 2.76682 TIMING: 4475000 CPU: 14200, 0.00312475/step Wall: 14200, 0.00312475/step, 0.455693 hours remaining, 239.730469 MB of memory in use. ENERGY: 4475000 4033.3559 20504.1967 14454.3565 244.2514 -203395.1854 2380.4258 0.0000 0.0000 51985.7999 -109792.7992 298.7631 -161778.5991 -109432.1726 298.8908 -328.9406 -299.8018 762523.0577 14.4670 14.3615 PRESSURE: 4475200 132.948 -43.4066 -64.9208 -43.4064 -69.8365 -152.867 -64.9209 -152.867 462.777 GPRESSURE: 4475200 213.546 -46.554 -99.0414 -172.296 -19.6436 -151.541 -88.8958 -147.769 421.236 PRESSAVG: 4475200 -3.80479 -43.0154 10.3285 -43.0153 -11.8172 22.068 10.3285 22.0679 31.6485 GPRESSAVG: 4475200 -3.41092 -43.7848 11.2246 -42.7074 -11.3791 19.7612 11.281 23.3639 31.421 TIMING: 4475200 CPU: 14200.7, 0.00315311/step Wall: 14200.7, 0.00315311/step, 0.459653 hours remaining, 239.730469 MB of memory in use. ENERGY: 4475200 4008.6673 20423.3405 14398.7839 234.6871 -203512.5771 2770.7055 0.0000 0.0000 52051.3737 -109625.0191 299.1400 -161676.3928 -109262.3860 298.5613 175.2962 205.0462 760430.6152 5.3422 5.5437 PRESSURE: 4475400 -187.044 -77.2232 108.43 -77.2242 -15.2354 -20.0378 108.43 -20.0378 83.7766 GPRESSURE: 4475400 -101.983 -169.714 173.097 40.2755 30.623 45.1138 20.9707 -130.893 41.8769 PRESSAVG: 4475400 -28.7033 -21.2712 11.6459 -21.2712 -57.0387 22.283 11.6459 22.2829 -3.80578 GPRESSAVG: 4475400 -29.9793 -24.2433 12.3676 -20.1767 -56.9245 23.3634 11.9025 20.6877 -3.0533 TIMING: 4475400 CPU: 14201.3, 0.0031483/step Wall: 14201.3, 0.0031483/step, 0.458777 hours remaining, 239.730469 MB of memory in use. ENERGY: 4475400 3988.5341 20511.8740 14454.0832 222.6848 -203270.8210 2324.0507 0.0000 0.0000 52227.5420 -109542.0521 300.1524 -161769.5941 -109178.3277 299.1422 -39.5010 -9.8278 761576.0114 -29.8493 -29.9857 PRESSURE: 4475600 -101.162 -119.893 -5.81293 -119.893 -188.765 -130.83 -5.81349 -130.829 -386.207 GPRESSURE: 4475600 11.6288 -112.854 -15.6285 -141.391 -203.901 -156.924 60.8528 -202.624 -380.495 PRESSAVG: 4475600 -40.9899 -15.3012 48.048 -15.3013 16.2916 13.7635 48.0481 13.7636 17.4214 GPRESSAVG: 4475600 -40.9946 -12.4276 45.9521 -17.6012 16.563 12.634 47.558 13.1017 16.9558 TIMING: 4475600 CPU: 14201.9, 0.00316321/step Wall: 14201.9, 0.00316321/step, 0.460774 hours remaining, 239.730469 MB of memory in use. ENERGY: 4475600 4003.7002 20413.7192 14505.3106 247.2703 -203004.8469 2470.4903 0.0000 0.0000 52300.0479 -109064.3083 300.5691 -161364.3561 -108698.0453 300.2334 -225.3780 -190.9224 760458.9914 -2.4256 -2.4919 PRESSURE: 4475800 132.773 -51.5912 -4.6567 -51.5908 -71.1188 -298.424 -4.6567 -298.424 -270.354 GPRESSURE: 4475800 109.085 -7.8813 18.6768 -70.3602 47.5229 -226.291 1.36564 -242.306 -285.078 PRESSAVG: 4475800 -3.76123 50.4933 23.6233 50.4933 -1.32962 -20.35 23.6232 -20.35 -15.173 GPRESSAVG: 4475800 -3.06234 50.0823 26.7736 51.5091 -1.47675 -19.6416 21.4116 -18.8815 -15.4802 TIMING: 4475800 CPU: 14202.6, 0.00315154/step Wall: 14202.6, 0.00315154/step, 0.458899 hours remaining, 239.730469 MB of memory in use. ENERGY: 4475800 4037.9951 20550.5530 14539.1811 256.7210 -203181.7940 2386.7146 0.0000 0.0000 52233.9145 -109176.7147 300.1890 -161410.6292 -108815.9641 300.3329 -69.5665 -42.8236 760123.2182 -6.7546 -6.6731 PRESSURE: 4476000 -292.206 149.416 -21.9826 149.417 7.74992 -60.2571 -21.9829 -60.2569 583.874 GPRESSURE: 4476000 -235.037 200.688 52.1067 213.409 33.3648 -0.652678 64.794 -155.985 577.371 PRESSAVG: 4476000 -2.75523 25.1374 29.6468 25.1374 3.38484 8.31683 29.6467 8.31677 -3.20497 GPRESSAVG: 4476000 -1.90129 25.1278 27.6985 25.3202 2.82241 8.86657 32.3177 8.56951 -3.80378 TIMING: 4476000 CPU: 14203.2, 0.00314773/step Wall: 14203.2, 0.00314773/step, 0.45817 hours remaining, 239.730469 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: 4476000 4016.5407 20513.0767 14517.9571 247.2079 -203285.4461 2500.8326 0.0000 0.0000 52157.2277 -109332.6034 299.7483 -161489.8311 -108971.0962 299.5961 99.8061 125.2332 760578.0938 -0.8585 -0.9609 PRESSURE: 4476200 -46.5687 -41.3933 -101.989 -41.3938 -286.784 174.458 -101.989 174.459 111.37 GPRESSURE: 4476200 -94.3966 -28.3067 -74.3509 -29.6874 -148.551 197.312 -140.547 166.024 113.379 PRESSAVG: 4476200 -2.26668 15.1872 43.9648 15.1873 -22.2321 15.7283 43.9648 15.7283 -3.9088 GPRESSAVG: 4476200 -3.49466 14.0734 44.648 15.5283 -21.7367 16.7415 42.2314 12.6604 -2.64139 TIMING: 4476200 CPU: 14203.8, 0.0031444/step Wall: 14203.8, 0.0031444/step, 0.45751 hours remaining, 239.730469 MB of memory in use. ENERGY: 4476200 3947.6186 20508.6225 14435.0578 255.5493 -203483.6766 2537.8819 0.0000 0.0000 52168.1304 -109630.8162 299.8110 -161798.9467 -109270.4189 299.4960 -73.9945 -43.1896 761441.2759 -9.4692 -9.2909 LDB: ============= START OF LOAD BALANCING ============== 14216.3 LDB: ============== END OF LOAD BALANCING =============== 14216.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14216.3 LDB: ============= START OF LOAD BALANCING ============== 14216.6 LDB: Largest compute 7078 load 0.034504 is 17.6% of average load 0.195576 LDB: Average compute 0.004355 is 2.2% of average load 0.195576 LDB: TIME 14216.6 LOAD: AVG 0.195576 MAX 0.219487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 14216.6 LOAD: AVG 0.195576 MAX 0.219487 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: TIME 14216.6 LOAD: AVG 0.195576 MAX 0.216659 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.297 MB LDB: ============== END OF LOAD BALANCING =============== 14216.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14216.6 PRESSURE: 4476400 110.577 55.5759 48.937 55.5753 -167.268 133.671 48.9365 133.671 269.565 GPRESSURE: 4476400 88.2138 66.6217 21.3911 -39.9512 -95.0336 154.976 108.302 100.538 298.816 PRESSAVG: 4476400 33.1545 -20.6839 9.02865 -20.6839 -7.06435 -15.9118 9.02867 -15.9118 -7.18558 GPRESSAVG: 4476400 33.5744 -19.4371 8.20271 -22.3229 -7.05699 -17.184 8.59735 -14.8054 -7.2829 TIMING: 4476400 CPU: 14204.5, 0.00321067/step Wall: 14204.5, 0.00321067/step, 0.466974 hours remaining, 240.871094 MB of memory in use. ENERGY: 4476400 3972.9831 20639.5347 14477.2296 247.6270 -203509.8303 2789.1473 0.0000 0.0000 51856.4027 -109526.9059 298.0195 -161383.3086 -109164.8477 299.0639 70.9579 97.3321 762495.2964 6.3015 6.4115 PRESSURE: 4476600 -10.5625 93.085 92.0722 93.0857 -165.309 104.713 92.0718 104.712 -219.101 GPRESSURE: 4476600 52.9405 54.832 132.853 132.723 -142.562 153.179 133.955 138.597 -221.298 PRESSAVG: 4476600 56.829 -6.01907 27.6714 -6.01902 -29.8761 -15.7838 27.6714 -15.7837 -3.83718 GPRESSAVG: 4476600 57.5165 -7.51107 29.6214 -4.69542 -29.8302 -15.9901 27.7998 -13.913 -3.63486 TIMING: 4476600 CPU: 14205.1, 0.00311928/step Wall: 14205.1, 0.00311928/step, 0.453508 hours remaining, 240.871094 MB of memory in use. ENERGY: 4476600 4011.1043 20492.0275 14507.7732 250.2587 -203396.4615 2661.9587 0.0000 0.0000 51937.3968 -109535.9422 298.4849 -161473.3390 -109166.8234 299.3969 -131.6574 -103.6400 762523.9561 7.7052 8.0172 PRESSURE: 4476800 328.133 198.12 147.184 198.12 -23.9434 73.3088 147.183 73.3092 -63.0813 GPRESSURE: 4476800 413.525 17.017 141.375 55.3434 22.036 36.7816 101.607 56.0575 -119.874 PRESSAVG: 4476800 -15.431 0.842498 38.7039 0.842487 25.4874 22.0218 38.7039 22.0218 15.5933 GPRESSAVG: 4476800 -15.9279 3.58271 39.171 -1.96432 27.1424 24.2192 39.139 19.9073 15.1168 TIMING: 4476800 CPU: 14205.7, 0.0031267/step Wall: 14205.7, 0.0031267/step, 0.454414 hours remaining, 240.871094 MB of memory in use. ENERGY: 4476800 4015.1566 20431.1888 14426.6056 227.8174 -203948.5568 2912.6902 0.0000 0.0000 52153.9360 -109781.1621 299.7294 -161935.0981 -109421.7120 299.0684 80.3696 105.2290 760156.4022 8.5499 8.7771 PRESSURE: 4477000 -255.957 -279.647 154.578 -279.648 42.6613 -17.7478 154.577 -17.7474 386.609 GPRESSURE: 4477000 -152.011 -222.309 223.926 -308.199 6.15637 -30.2861 77.5648 -37.8077 415.749 PRESSAVG: 4477000 37.9353 -4.45295 -6.2339 -4.45288 -2.27314 -30.3649 -6.23389 -30.3648 11.2871 GPRESSAVG: 4477000 39.4586 -6.19762 -7.92324 -3.7395 -3.36413 -33.9722 -5.74774 -28.2152 10.7646 TIMING: 4477000 CPU: 14206.3, 0.00312022/step Wall: 14206.3, 0.00312022/step, 0.453299 hours remaining, 240.871094 MB of memory in use. ENERGY: 4477000 4080.3091 20501.4914 14504.3083 241.4892 -203463.2930 2448.0396 0.0000 0.0000 52025.4796 -109662.1757 298.9911 -161687.6553 -109301.1606 298.7690 57.7710 89.9647 760196.2247 15.6497 15.6197 PRESSURE: 4477200 -68.1796 34.1261 164.836 34.125 183.014 -105.176 164.837 -105.175 -6.8541 GPRESSURE: 4477200 -98.9489 140.559 187.146 37.8133 257.959 -192.331 76.928 1.50134 49.133 PRESSAVG: 4477200 -58.4919 -49.5324 33.6082 -49.5324 45.4201 -46.0032 33.6081 -46.0032 -1.43279 GPRESSAVG: 4477200 -60.8144 -51.1524 31.4098 -48.0234 45.3946 -44.8366 33.6011 -45.473 0.391328 TIMING: 4477200 CPU: 14207, 0.00313956/step Wall: 14207, 0.00313956/step, 0.455933 hours remaining, 240.871094 MB of memory in use. ENERGY: 4477200 3996.4048 20449.8156 14505.0999 267.4933 -203490.7817 2466.4997 0.0000 0.0000 52053.5857 -109751.8827 299.1527 -161805.4684 -109394.4994 298.7232 35.9934 69.3810 761274.8133 -4.8348 -5.0095 PRESSURE: 4477400 -94.1799 -76.7305 5.09252 -76.7302 60.411 209.011 5.09269 209.011 -158.131 GPRESSURE: 4477400 -18.9248 -51.7727 -22.5359 -54.092 33.5605 166.332 -110.838 289.395 -127.606 PRESSAVG: 4477400 -55.8228 -0.744876 25.3379 -0.74487 23.9078 20.8764 25.3379 20.8765 15.8506 GPRESSAVG: 4477400 -54.5351 -1.76461 27.224 -0.786422 23.6029 22.574 26.8201 17.3962 15.0077 TIMING: 4477400 CPU: 14207.6, 0.00311738/step Wall: 14207.6, 0.00311738/step, 0.452539 hours remaining, 240.871094 MB of memory in use. ENERGY: 4477400 3980.5159 20331.3114 14454.6439 246.5073 -203856.6322 2775.2240 0.0000 0.0000 52024.2691 -110044.1606 298.9842 -162068.4297 -109681.7406 298.3848 -63.9667 -37.6567 760597.3392 -5.3548 -5.3082 PRESSURE: 4477600 148.512 -6.80748 -32.2684 -6.8074 -251.076 37.8918 -32.2689 37.8907 53.419 GPRESSURE: 4477600 143.901 -87.7034 -33.3695 17.4667 -106.441 -65.1069 65.7415 -16.171 -10.0087 PRESSAVG: 4477600 -12.7157 -1.40868 49.23 -1.4087 5.03266 -53.8204 49.23 -53.8204 13.5762 GPRESSAVG: 4477600 -12.282 -1.6574 51.3251 -0.724488 5.81981 -54.8809 45.9552 -52.8271 12.51 TIMING: 4477600 CPU: 14208.2, 0.00312912/step Wall: 14208.2, 0.00312912/step, 0.45407 hours remaining, 240.871094 MB of memory in use. ENERGY: 4477600 3942.6767 20634.2323 14477.9737 247.8865 -203938.5654 2812.2994 0.0000 0.0000 51936.1650 -109887.3317 298.4779 -161823.4967 -109524.2310 298.2169 -16.3816 9.1503 760391.1902 1.9644 2.0159 PRESSURE: 4477800 -178.276 -111.505 -10.3841 -111.506 -205.38 -68.6143 -10.3851 -68.6145 6.50337 GPRESSURE: 4477800 -195.784 -48.6316 -17.9649 -77.6741 -137.676 -33.7099 11.4853 -81.8683 25.5847 PRESSAVG: 4477800 -99.4887 -21.7775 -39.9426 -21.7775 94.1776 -19.0207 -39.9426 -19.0208 -23.9523 GPRESSAVG: 4477800 -100.712 -22.8376 -42.1842 -21.934 93.9347 -19.4972 -37.068 -18.685 -22.5125 TIMING: 4477800 CPU: 14208.8, 0.00311919/step Wall: 14208.8, 0.00311919/step, 0.452456 hours remaining, 240.871094 MB of memory in use. ENERGY: 4477800 3992.5223 20477.0044 14479.0986 248.3323 -203722.4288 2484.4333 0.0000 0.0000 52143.6450 -109897.3929 299.6702 -162041.0379 -109530.4734 298.9387 -125.7175 -102.6253 761116.0882 -9.7545 -9.7632 PRESSURE: 4478000 284.049 -173.223 111.689 -173.223 -49.8127 -67.3047 111.689 -67.304 96.8057 GPRESSURE: 4478000 265.275 -53.452 54.1896 -10.1013 56.7465 -100.435 89.1685 -30.8874 73.1746 PRESSAVG: 4478000 4.8111 14.5855 -15.1741 14.5855 32.0041 28.6263 -15.174 28.6264 2.98705 GPRESSAVG: 4478000 5.443 17.6588 -15.3299 14.6112 32.9058 29.0165 -16.1186 30.2824 2.39569 TIMING: 4478000 CPU: 14209.5, 0.00312338/step Wall: 14209.5, 0.00312338/step, 0.45289 hours remaining, 240.871094 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: 4478000 3930.1327 20599.1646 14423.3281 245.3187 -204165.2414 2806.8617 0.0000 0.0000 52327.5445 -109832.8911 300.7271 -162160.4355 -109462.8038 299.0039 110.3473 131.7319 760549.2624 13.2674 13.5815 PRESSURE: 4478200 71.7973 77.8731 -175.455 77.8735 -90.891 -84.3107 -175.455 -84.3121 64.5208 GPRESSURE: 4478200 36.3369 142.685 -96.3998 40.4313 -23.9295 -36.7978 -95.9819 -101.792 109.139 PRESSAVG: 4478200 1.13558 0.169168 -42.9112 0.169207 31.0064 -45.2268 -42.9112 -45.2268 -15.7602 GPRESSAVG: 4478200 0.803523 -1.1538 -43.5531 -0.737813 29.6423 -44.6652 -40.6806 -44.6758 -14.4222 TIMING: 4478200 CPU: 14210.1, 0.00311902/step Wall: 14210.1, 0.00311902/step, 0.452084 hours remaining, 240.871094 MB of memory in use. ENERGY: 4478200 3891.6975 20615.5116 14393.5613 260.1109 -203739.6348 2616.8567 0.0000 0.0000 52219.0480 -109742.8488 300.1036 -161961.8968 -109379.6100 298.9769 15.1424 40.5155 762077.8016 5.4606 5.3412 PRESSURE: 4478400 -50.9272 -13.8851 242.516 -13.8843 -418.692 234.188 242.515 234.189 -92.0451 GPRESSURE: 4478400 -20.9015 129.995 261.552 44.1969 -336.039 133.452 211.414 311.709 -94.0164 PRESSAVG: 4478400 -21.4083 23.8019 38.0407 23.8019 28.6478 -2.97338 38.0407 -2.97333 1.86066 GPRESSAVG: 4478400 -19.711 22.461 38.3606 23.8065 28.6449 -3.60449 37.9092 -4.13071 1.01663 TIMING: 4478400 CPU: 14210.7, 0.00311334/step Wall: 14210.7, 0.00311334/step, 0.451088 hours remaining, 240.871094 MB of memory in use. ENERGY: 4478400 3893.5174 20539.9770 14381.9915 238.6669 -203378.8503 2338.6419 0.0000 0.0000 52299.9058 -109686.1498 300.5683 -161986.0556 -109315.0664 299.0753 -187.2215 -150.3190 762259.9801 3.0334 3.3168 PRESSURE: 4478600 -186.64 -58.0076 -31.0843 -58.0082 -195.801 92.5543 -31.0833 92.5547 -410.967 GPRESSURE: 4478600 -156.11 -17.4305 67.4606 -122.285 -135.419 49.3905 -78.4294 55.632 -406.885 PRESSAVG: 4478600 -0.132162 3.04996 15.0493 3.04992 28.5663 0.635833 15.0493 0.635888 18.3493 GPRESSAVG: 4478600 -2.15697 5.69206 15.6403 3.0083 30.0197 2.43714 14.7871 -1.2959 19.1893 TIMING: 4478600 CPU: 14211.3, 0.00312021/step Wall: 14211.3, 0.00312021/step, 0.451911 hours remaining, 240.871094 MB of memory in use. ENERGY: 4478600 3950.0952 20532.6388 14423.9578 233.6754 -203500.1810 2482.6733 0.0000 0.0000 52129.9495 -109747.1910 299.5915 -161877.1404 -109379.3867 299.2375 -264.4692 -232.8049 762115.5530 15.5945 15.6840 PRESSURE: 4478800 -131.439 9.06544 243.963 9.06552 -258.671 273.828 243.962 273.828 61.8467 GPRESSURE: 4478800 -191.125 -63.2199 243.819 38.3113 -136.067 281.44 230.853 284.88 74.7812 PRESSAVG: 4478800 -31.5197 42.5714 32.8063 42.5713 69.5956 34.5055 32.8063 34.5055 5.01034 GPRESSAVG: 4478800 -30.6407 43.8396 33.5892 40.6954 70.3523 32.6829 30.0182 35.3898 3.96477 TIMING: 4478800 CPU: 14212, 0.00315443/step Wall: 14212, 0.00315443/step, 0.456691 hours remaining, 240.871094 MB of memory in use. ENERGY: 4478800 4003.2727 20606.9618 14471.6838 245.8048 -203703.4517 2513.0759 0.0000 0.0000 52141.5321 -109721.1206 299.6581 -161862.6527 -109350.2529 299.0584 -109.4212 -84.1370 761216.3499 14.3621 14.5588 PRESSURE: 4479000 -231.542 -61.573 -23.3949 -61.5731 -390.403 -63.4946 -23.3951 -63.495 136.721 GPRESSURE: 4479000 -146.831 -3.19755 10.1914 -107.922 -352.469 -95.8242 -7.77654 14.8905 91.8771 PRESSAVG: 4479000 -7.34563 5.02578 14.2549 5.02578 -11.6418 -26.2193 14.2549 -26.2193 3.24237 GPRESSAVG: 4479000 -7.62021 1.77087 13.0888 6.89658 -11.5566 -25.4358 16.1359 -25.17 3.36676 TIMING: 4479000 CPU: 14212.6, 0.00314418/step Wall: 14212.6, 0.00314418/step, 0.455033 hours remaining, 240.871094 MB of memory in use. ENERGY: 4479000 4056.2542 20486.4630 14440.1109 258.4048 -203398.9289 2414.1274 0.0000 0.0000 52261.7755 -109481.7931 300.3491 -161743.5686 -109116.0297 299.8184 -161.7415 -135.8076 760347.6862 -5.2483 -5.2700 PRESSURE: 4479200 158.653 -77.6484 69.0283 -77.6482 174.875 -65.311 69.0275 -65.3103 331.497 GPRESSURE: 4479200 237.332 94.69 32.376 7.65281 219.198 -41.2932 128.772 -130.865 293.959 PRESSAVG: 4479200 -45.0918 -57.8433 -2.16293 -57.8433 29.4827 -18.2631 -2.16293 -18.2631 -0.577324 GPRESSAVG: 4479200 -44.6193 -57.2952 -2.65088 -56.5023 28.6858 -18.0628 -3.34849 -20.5533 -0.718733 TIMING: 4479200 CPU: 14213.2, 0.00312496/step Wall: 14213.2, 0.00312496/step, 0.452078 hours remaining, 240.871094 MB of memory in use. ENERGY: 4479200 3967.1496 20586.4889 14515.5879 218.9581 -203627.7861 2587.1182 0.0000 0.0000 52036.3429 -109716.1405 299.0536 -161752.4834 -109364.1378 299.1141 221.6750 250.1629 759405.3536 -5.3955 -5.5508 PRESSURE: 4479400 -71.4307 59.2292 -96.0754 59.2297 -165.056 55.1436 -96.0758 55.1428 80.4912 GPRESSURE: 4479400 -98.4384 15.5343 -122.671 34.1662 -15.847 67.4763 -185.209 29.1696 47.0618 PRESSAVG: 4479400 -11.0407 28.3762 -14.3681 28.3762 -9.54113 -33.0211 -14.3681 -33.0212 5.613 GPRESSAVG: 4479400 -11.2679 28.2482 -14.2008 25.1277 -9.80837 -32.0176 -14.4363 -34.0744 6.08392 TIMING: 4479400 CPU: 14213.8, 0.00316137/step Wall: 14213.8, 0.00316137/step, 0.457169 hours remaining, 240.871094 MB of memory in use. ENERGY: 4479400 4072.8689 20559.2792 14460.4366 231.0598 -203500.5371 2303.9346 0.0000 0.0000 52189.8571 -109683.1009 299.9358 -161872.9579 -109312.0412 299.2449 -51.9987 -22.4079 761290.0941 -4.9896 -4.9975 PRESSURE: 4479600 40.0692 -103.071 111.715 -103.071 -14.6666 200.367 111.715 200.367 -9.19624 GPRESSURE: 4479600 78.2074 38.8392 101.473 -146.05 0.977581 268.927 171.691 145.05 21.088 PRESSAVG: 4479600 48.672 37.2784 -15.9426 37.2784 -16.2549 15.8784 -15.9425 15.8783 -5.13452 GPRESSAVG: 4479600 49.1247 38.8208 -15.1793 38.7559 -16.4219 14.9545 -15.8831 16.7439 -4.59673 TIMING: 4479600 CPU: 14214.5, 0.00315406/step Wall: 14214.5, 0.00315406/step, 0.455938 hours remaining, 240.871094 MB of memory in use. ENERGY: 4479600 4039.8993 20550.4628 14488.0207 237.0132 -203390.9386 2472.0789 0.0000 0.0000 51898.3528 -109705.1109 298.2605 -161603.4637 -109339.2254 299.7352 5.4021 33.4243 758942.0163 9.0942 9.3687 PRESSURE: 4479800 -71.9695 -172.902 -66.9931 -172.901 -183.947 151.218 -66.9926 151.217 -122.217 GPRESSURE: 4479800 -120.707 -214.192 -42.7986 -212.58 19.7294 167.617 -155.322 210.589 -192.268 PRESSAVG: 4479800 20.8651 -56.8646 3.89386 -56.8645 14.205 -16.1081 3.8939 -16.1081 7.4542 GPRESSAVG: 4479800 20.3375 -55.7594 3.49209 -57.46 15.5647 -15.4507 2.40504 -16.745 6.70333 TIMING: 4479800 CPU: 14215.1, 0.00313176/step Wall: 14215.1, 0.00313176/step, 0.452539 hours remaining, 240.871094 MB of memory in use. ENERGY: 4479800 3947.2218 20441.2214 14470.9587 249.4143 -203195.2334 2154.4771 0.0000 0.0000 52123.3738 -109808.5663 299.5537 -161931.9401 -109449.5895 298.8100 -126.0446 -97.7484 759906.1017 14.1748 14.2019 PRESSURE: 4480000 120.046 -135.338 166.456 -135.338 57.1775 -14.1919 166.456 -14.1924 3.04823 GPRESSURE: 4480000 186.472 -124.309 191.312 -142.647 45.7225 -57.825 94.3965 -54.1809 38.4982 PRESSAVG: 4480000 5.64849 -14.6779 13.764 -14.6778 -13.6368 -18.1009 13.764 -18.1009 -2.54772 GPRESSAVG: 4480000 6.1359 -16.7198 12.8161 -13.3607 -14.4716 -18.2618 14.0721 -16.7473 -2.62412 TIMING: 4480000 CPU: 14215.7, 0.00315647/step Wall: 14215.7, 0.00315647/step, 0.455934 hours remaining, 240.871094 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: 4480000 3993.1417 20475.2650 14445.1465 257.6798 -203128.1591 2296.9391 0.0000 0.0000 51863.5711 -109796.4159 298.0607 -161659.9870 -109428.0927 299.0418 60.0905 90.2309 760586.1989 -3.5120 -3.6533 PRESSURE: 4480200 -151.657 16.777 -124.067 16.7773 -41.818 -14.1444 -124.068 -14.1453 79.2731 GPRESSURE: 4480200 -119.893 89.3162 -36.9232 75.2544 -61.3554 -16.7169 -150.558 -114.461 142.83 PRESSAVG: 4480200 13.2846 -4.54558 -10.6079 -4.54566 7.25983 -50.8904 -10.6078 -50.8903 14.1202 GPRESSAVG: 4480200 11.8615 -1.97605 -10.1078 -6.12576 7.81097 -49.7867 -7.57116 -51.2426 14.7745 TIMING: 4480200 CPU: 14216.4, 0.00313699/step Wall: 14216.4, 0.00313699/step, 0.452946 hours remaining, 240.871094 MB of memory in use. ENERGY: 4480200 4022.5187 20363.3104 14388.0894 237.9850 -203694.4087 2688.9928 0.0000 0.0000 52310.9432 -109682.5692 300.6317 -161993.5124 -109316.4462 299.3166 -38.0674 -12.8064 760519.5983 11.5549 11.4823 LDB: ============= START OF LOAD BALANCING ============== 14228.8 LDB: ============== END OF LOAD BALANCING =============== 14228.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14228.8 LDB: ============= START OF LOAD BALANCING ============== 14229.1 LDB: Largest compute 7077 load 0.034869 is 17.8% of average load 0.195447 LDB: Average compute 0.004400 is 2.3% of average load 0.195447 LDB: TIME 14229.1 LOAD: AVG 0.195447 MAX 0.217275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.898 MB LDB: TIME 14229.1 LOAD: AVG 0.195447 MAX 0.217275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.105 MB LDB: TIME 14229.1 LOAD: AVG 0.195447 MAX 0.217275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.105 MB LDB: ============== END OF LOAD BALANCING =============== 14229.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14229.1 PRESSURE: 4480400 324.351 50.2261 -56.4845 50.2257 -67.7023 38.2051 -56.4848 38.2063 107.47 GPRESSURE: 4480400 384.335 102.099 -7.59218 127.33 -85.0007 45.4242 -214.049 -50.9885 157.784 PRESSAVG: 4480400 22.0961 23.269 1.45088 23.2691 14.1156 53.8519 1.45088 53.8519 25.2366 GPRESSAVG: 4480400 22.7569 22.07 0.842283 24.5416 13.1111 52.639 1.47348 54.7209 25.7593 TIMING: 4480400 CPU: 14217, 0.00321101/step Wall: 14217, 0.003211/step, 0.463455 hours remaining, 239.386719 MB of memory in use. ENERGY: 4480400 3942.0211 20561.1673 14328.9142 240.5372 -203307.3035 2490.7066 0.0000 0.0000 52077.4799 -109666.4774 299.2900 -161743.9572 -109294.9248 299.2778 121.3729 152.3727 759733.0870 20.4827 20.5424 PRESSURE: 4480600 223.091 -15.3616 20.8553 -15.3621 41.436 -42.0404 20.855 -42.04 375.212 GPRESSURE: 4480600 311.161 -72.4595 -46.6086 64.6275 96.7696 -9.26871 60.8126 -182.657 310.474 PRESSAVG: 4480600 -49.816 11.905 -0.476915 11.905 50.2207 28.1147 -0.476893 28.1146 -3.09376 GPRESSAVG: 4480600 -50.2857 11.5491 0.930106 11.6184 49.9613 31.271 -2.53103 26.3643 -2.55737 TIMING: 4480600 CPU: 14217.6, 0.00314827/step Wall: 14217.6, 0.00314827/step, 0.454225 hours remaining, 239.386719 MB of memory in use. ENERGY: 4480600 4012.3390 20677.6397 14417.2758 216.6532 -203457.0028 2705.7889 0.0000 0.0000 51869.4864 -109557.8198 298.0947 -161427.3062 -109210.6025 299.0604 213.2464 239.4684 760520.6507 -0.8963 -0.9606 PRESSURE: 4480800 106.927 89.2259 1.02832 89.2262 77.4855 -83.7627 1.02859 -83.7623 -191.943 GPRESSURE: 4480800 181.562 28.1599 22.7973 138.953 6.2192 -84.6434 -2.89506 44.658 -93.6871 PRESSAVG: 4480800 36.6944 26.9955 2.37122 26.9955 -13.7077 -50.3231 2.37124 -50.323 3.57001 GPRESSAVG: 4480800 36.5594 24.2367 1.48408 28.1335 -12.7955 -53.2358 3.35908 -47.8775 2.27815 TIMING: 4480800 CPU: 14218.3, 0.00314996/step Wall: 14218.3, 0.00314996/step, 0.454295 hours remaining, 239.386719 MB of memory in use. ENERGY: 4480800 3949.7601 20395.9972 14424.2983 260.9227 -203214.1920 2402.4190 0.0000 0.0000 52299.2177 -109481.5770 300.5643 -161780.7947 -109119.3839 299.5914 -2.5100 31.3648 760022.7306 8.8522 8.6807 PRESSURE: 4481000 -169.753 -36.6446 141.086 -36.6451 -64.314 94.1544 141.084 94.153 -47.0511 GPRESSURE: 4481000 -103.202 -74.4081 122.936 -32.6679 19.4194 126.942 -40.3049 179.046 -102.836 PRESSAVG: 4481000 -49.2207 19.9269 -18.8723 19.9269 39.3376 -26.8459 -18.8723 -26.8459 2.61405 GPRESSAVG: 4481000 -48.0762 24.0071 -18.0667 17.8721 38.8504 -25.9233 -19.3399 -29.0891 2.35377 TIMING: 4481000 CPU: 14218.9, 0.00315118/step Wall: 14218.9, 0.00315118/step, 0.454295 hours remaining, 239.386719 MB of memory in use. ENERGY: 4481000 3992.4755 20473.8065 14393.2554 249.7551 -203398.8171 2410.9097 0.0000 0.0000 52207.8961 -109670.7189 300.0395 -161878.6150 -109311.9340 299.3114 -93.7060 -62.2065 761519.4724 -2.4230 -2.2907 PRESSURE: 4481200 52.6922 13.458 -170.32 13.4588 172.301 -73.076 -170.32 -73.0755 -233.057 GPRESSURE: 4481200 82.1471 -9.20245 -201.925 -41.6816 219.272 -80.2864 -121.403 27.772 -216.827 PRESSAVG: 4481200 5.33889 9.74144 -21.7715 9.74136 -0.183733 53.2825 -21.7716 53.2825 5.01333 GPRESSAVG: 4481200 4.20608 8.21131 -23.0412 8.7225 0.598424 53.523 -22.1333 55.5289 4.95912 TIMING: 4481200 CPU: 14219.5, 0.00313311/step Wall: 14219.5, 0.00313311/step, 0.451515 hours remaining, 239.386719 MB of memory in use. ENERGY: 4481200 3996.0111 20464.8749 14414.8092 257.0600 -203323.3135 2408.6085 0.0000 0.0000 51959.3153 -109822.6345 298.6109 -161781.9497 -109460.6241 298.9099 -2.6880 28.1974 760762.2142 3.3895 3.2545 PRESSURE: 4481400 -156.28 -43.2849 133.177 -43.286 -453.048 28.1737 133.177 28.1732 -592.031 GPRESSURE: 4481400 -103.49 47.6721 79.403 -165.515 -438.896 42.0643 114.578 73.4056 -556.07 PRESSAVG: 4481400 6.12482 34.3663 -19.3002 34.3663 -13.7653 50.5101 -19.3003 50.51 3.73015 GPRESSAVG: 4481400 6.41465 34.0159 -17.8692 36.8541 -14.5631 48.625 -19.6219 52.2805 4.02383 TIMING: 4481400 CPU: 14220.1, 0.00314085/step Wall: 14220.1, 0.00314084/step, 0.452456 hours remaining, 239.386719 MB of memory in use. ENERGY: 4481400 4057.3494 20415.3481 14418.6352 252.6808 -202444.5016 1904.5056 0.0000 0.0000 51773.8161 -109622.1664 297.5448 -161395.9826 -109252.3955 298.6969 -400.4529 -366.1520 760727.2328 -1.3034 -1.3749 PRESSURE: 4481600 -100.833 -192.698 157.084 -192.698 -41.0197 -244.144 157.083 -244.144 169.69 GPRESSURE: 4481600 -49.4848 -90.0691 91.5246 -139.457 -44.0837 -204.699 85.3803 -221.696 195.69 PRESSAVG: 4481600 -0.828646 11.9245 -1.52596 11.9245 5.02968 -18.1513 -1.52598 -18.1514 -2.44383 GPRESSAVG: 4481600 -0.929371 10.9013 -2.30787 11.4029 5.22861 -17.4393 -0.68205 -20.0927 -2.54537 TIMING: 4481600 CPU: 14220.8, 0.00315447/step Wall: 14220.8, 0.00315447/step, 0.454244 hours remaining, 239.386719 MB of memory in use. ENERGY: 4481600 4006.7158 20679.0238 14458.8079 237.1097 -203403.7398 2265.5998 0.0000 0.0000 52171.8707 -109584.6121 299.8325 -161756.4828 -109223.4953 299.2039 9.2790 34.0405 759573.7312 0.5857 0.5846 PRESSURE: 4481800 83.5374 -18.4203 -119.599 -18.4193 -187.961 87.1221 -119.599 87.1214 -110.358 GPRESSURE: 4481800 -25.9654 61.3523 -156.591 -57.8023 -58.3836 34.2292 -190.348 48.4964 -70.7467 PRESSAVG: 4481800 -33.2196 13.9477 -39.5255 13.9477 25.2238 -66.6776 -39.5256 -66.6776 -4.89611 GPRESSAVG: 4481800 -33.5089 15.2439 -39.1997 12.6956 25.1557 -64.9567 -40.3039 -66.6748 -4.38339 TIMING: 4481800 CPU: 14221.4, 0.00316508/step Wall: 14221.4, 0.00316508/step, 0.455596 hours remaining, 239.386719 MB of memory in use. ENERGY: 4481800 4012.2245 20622.5150 14455.9804 244.8132 -203122.0405 2446.4952 0.0000 0.0000 51853.0935 -109486.9187 298.0004 -161340.0122 -109132.6807 299.5864 -71.5938 -51.6985 760936.9268 -4.2973 -4.2455 PRESSURE: 4482000 -49.0861 50.6594 -244.624 50.6595 553.82 17.4696 -244.624 17.4703 100.305 GPRESSURE: 4482000 25.2408 20.1844 -175.234 16.4315 496.654 62.8648 -161.843 -52.9996 147.493 PRESSAVG: 4482000 4.97981 -18.0629 -71.7437 -18.0628 -7.08646 1.06008 -71.7437 1.06003 -6.68037 GPRESSAVG: 4482000 5.05618 -18.8294 -71.9257 -16.0467 -6.69399 0.271276 -71.1754 1.77192 -6.8553 TIMING: 4482000 CPU: 14222, 0.00315059/step Wall: 14222, 0.00315059/step, 0.453335 hours remaining, 239.386719 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: 4482000 3955.0442 20576.5014 14360.0426 257.0833 -203670.2114 2642.9956 0.0000 0.0000 52373.3530 -109505.1913 300.9904 -161878.5443 -109136.7368 299.2624 201.6796 223.1293 761305.0585 -2.9290 -2.8310 PRESSURE: 4482200 -155.21 181.036 -178.573 181.036 190.307 -7.95564 -178.573 -7.95543 -222.334 GPRESSURE: 4482200 -238.941 133.384 -177.126 206.514 227.746 11.7434 -159.692 47.9828 -93.5697 PRESSAVG: 4482200 -67.2932 -57.8709 -66.7188 -57.8709 36.8798 -15.8479 -66.7187 -15.8479 -12.2464 GPRESSAVG: 4482200 -67.0865 -56.7957 -68.0386 -58.2082 36.2365 -17.4403 -65.4443 -15.6208 -11.8369 TIMING: 4482200 CPU: 14222.7, 0.00317728/step Wall: 14222.7, 0.00317728/step, 0.456999 hours remaining, 239.386719 MB of memory in use. ENERGY: 4482200 4020.3213 20689.3492 14372.7669 241.8932 -203245.2985 2467.6109 0.0000 0.0000 51891.2234 -109562.1337 298.2196 -161453.3570 -109211.2733 299.1763 -62.4122 -34.9216 762416.9777 -14.2200 -14.2290 PRESSURE: 4482400 122.049 -131.012 -6.9667 -131.011 -184.896 -0.552479 -6.96679 -0.552019 203.471 GPRESSURE: 4482400 144.414 -187.447 -31.1279 -4.43731 -209.321 27.5776 4.51391 -19.7741 292.762 PRESSAVG: 4482400 -13.0827 6.74811 -4.83051 6.74811 -2.08142 -21.3217 -4.83055 -21.3217 -11.9594 GPRESSAVG: 4482400 -12.6293 5.10946 -4.6898 7.28193 -2.18757 -19.8109 -5.03022 -21.088 -11.5058 TIMING: 4482400 CPU: 14223.3, 0.00316888/step Wall: 14223.3, 0.00316888/step, 0.455615 hours remaining, 239.386719 MB of memory in use. ENERGY: 4482400 4009.5902 20611.1565 14413.2269 230.6459 -203383.0015 2545.9187 0.0000 0.0000 52014.0817 -109558.3817 298.9256 -161572.4634 -109186.9690 299.5100 46.8748 75.9517 762624.1020 -9.0412 -8.7742 PRESSURE: 4482600 496.673 86.1402 127.803 86.1407 -49.1613 -107.459 127.804 -107.46 289.89 GPRESSURE: 4482600 446.759 51.1564 62.0681 144.438 108.274 -165.688 17.0726 -85.7936 278.6 PRESSAVG: 4482600 7.26082 -30.0904 6.66326 -30.0904 10.4837 -41.1035 6.66326 -41.1035 33.516 GPRESSAVG: 4482600 6.07341 -29.9106 7.73117 -31.0326 12.7892 -42.55 5.9763 -42.1948 32.2147 TIMING: 4482600 CPU: 14223.9, 0.00316864/step Wall: 14223.9, 0.00316864/step, 0.455404 hours remaining, 239.386719 MB of memory in use. ENERGY: 4482600 3934.9158 20544.3576 14439.2020 242.7767 -203724.7550 2812.6379 0.0000 0.0000 52161.0518 -109589.8133 299.7703 -161750.8651 -109224.8034 299.4474 245.8003 277.8778 760942.6041 17.0868 17.0258 PRESSURE: 4482800 -180.399 0.739157 -69.1359 0.738528 -14.6499 239.974 -69.1362 239.974 209.162 GPRESSURE: 4482800 -151.534 52.2258 -33.2175 52.2596 52.1687 253.091 -23.4985 224.467 196.666 PRESSAVG: 4482800 45.3795 -3.11533 -31.5571 -3.11542 -40.3189 65.8247 -31.5571 65.8246 -20.8469 GPRESSAVG: 4482800 45.2008 -1.58179 -32.0773 -1.64266 -41.5112 65.5453 -30.1245 66.9939 -19.9891 TIMING: 4482800 CPU: 14224.6, 0.00316749/step Wall: 14224.6, 0.00316749/step, 0.455062 hours remaining, 239.386719 MB of memory in use. ENERGY: 4482800 3948.7422 20649.9269 14539.5054 240.2214 -203325.7273 2540.3792 0.0000 0.0000 51873.2324 -109533.7199 298.1162 -161406.9523 -109181.8023 299.1521 4.7045 32.4337 759095.7892 -5.2621 -5.4332 PRESSURE: 4483000 -156.884 112.744 12.8688 112.744 218.755 -29.7219 12.8687 -29.7211 360.699 GPRESSURE: 4483000 -80.9217 41.4294 -21.0375 118.114 267.865 -18.9786 -88.8694 87.649 312.545 PRESSAVG: 4483000 -44.2759 -19.382 -8.65709 -19.3819 30.9283 -31.4079 -8.65715 -31.4079 17.4405 GPRESSAVG: 4483000 -42.6083 -22.761 -8.75362 -19.8537 32.0786 -29.8558 -11.8769 -32.0314 15.9009 TIMING: 4483000 CPU: 14225.2, 0.00316426/step Wall: 14225.2, 0.00316426/step, 0.454424 hours remaining, 239.386719 MB of memory in use. ENERGY: 4483000 3986.7332 20586.8442 14447.9218 272.9653 -203638.8613 2584.7886 0.0000 0.0000 52113.0862 -109646.5220 299.4946 -161759.6082 -109295.2589 299.2615 140.8564 166.4959 758619.3737 1.3643 1.7904 PRESSURE: 4483200 -176.063 -125.531 34.7646 -125.531 -0.858223 286.076 34.7653 286.076 -275.352 GPRESSURE: 4483200 -155.602 -173.145 75.8021 -157.185 54.2506 262.286 134.377 169.883 -290.762 PRESSAVG: 4483200 23.9947 -29.3418 -60.7788 -29.3418 -7.03855 33.7179 -60.7788 33.7179 -3.13032 GPRESSAVG: 4483200 24.2345 -27.8806 -60.094 -30.0995 -8.67218 33.0094 -58.6195 33.0965 -2.00998 TIMING: 4483200 CPU: 14225.8, 0.00316945/step Wall: 14225.8, 0.00316945/step, 0.454991 hours remaining, 239.386719 MB of memory in use. ENERGY: 4483200 3902.6947 20673.2455 14462.4992 240.1278 -202897.1267 2135.6680 0.0000 0.0000 51864.2374 -109618.6542 298.0645 -161482.8916 -109264.8521 299.2491 -150.7577 -130.7045 759629.7153 4.6086 4.5175 PRESSURE: 4483400 231.279 -58.7957 13.3362 -58.7964 58.5821 -147.057 13.3369 -147.058 -1.63414 GPRESSURE: 4483400 216.865 -60.2023 27.365 -31.0957 154.955 -137.399 -66.1832 -280.625 4.00087 PRESSAVG: 4483400 14.2449 -1.6357 25.5126 -1.63575 -47.5494 47.1208 25.5127 47.1208 -0.0270641 GPRESSAVG: 4483400 12.4823 0.512809 23.9204 -0.183191 -45.8423 47.361 24.9075 47.7178 0.569791 TIMING: 4483400 CPU: 14226.5, 0.00315104/step Wall: 14226.5, 0.00315104/step, 0.452174 hours remaining, 239.386719 MB of memory in use. ENERGY: 4483400 3910.3165 20583.5781 14327.8692 248.1148 -203450.7698 2640.6754 0.0000 0.0000 52142.5573 -109597.6586 299.6640 -161740.2158 -109237.7940 299.3993 96.0757 125.2737 760185.4010 -11.1105 -10.9301 PRESSURE: 4483600 -257.425 -44.242 -275.694 -44.2419 37.8963 30.5676 -275.694 30.5671 141.503 GPRESSURE: 4483600 -275.997 -61.5308 -246.779 -86.0822 148.943 -44.558 -276.225 83.5727 150.654 PRESSAVG: 4483600 -5.80806 -17.4429 22.2962 -17.4429 17.8391 -0.0757396 22.2962 -0.0757411 21.8041 GPRESSAVG: 4483600 -4.78998 -18.7829 22.8231 -18.297 16.851 -0.816167 22.329 0.636716 22.0565 TIMING: 4483600 CPU: 14227.1, 0.00316204/step Wall: 14227.1, 0.00316204/step, 0.453578 hours remaining, 239.386719 MB of memory in use. ENERGY: 4483600 4020.0514 20305.0112 14457.0199 219.7436 -203426.0432 2646.1572 0.0000 0.0000 52219.4960 -109558.5639 300.1062 -161778.0599 -109196.3806 299.0243 -26.0085 7.8666 759568.1300 11.2784 11.3725 PRESSURE: 4483800 310.233 -56.3482 326.06 -56.3482 -1.35182 -50.6626 326.06 -50.6634 -280.512 GPRESSURE: 4483800 367.846 4.23454 359.848 8.06968 -7.38079 -69.5108 337.931 78.0436 -257.253 PRESSAVG: 4483800 -21.6341 -15.5534 53.9705 -15.5533 6.18024 -21.8842 53.9706 -21.8842 -17.9318 GPRESSAVG: 4483800 -22.694 -15.4731 54.1387 -15.4149 6.91085 -20.6907 53.2797 -20.5905 -17.4481 TIMING: 4483800 CPU: 14227.7, 0.00315227/step Wall: 14227.7, 0.00315227/step, 0.452001 hours remaining, 239.386719 MB of memory in use. ENERGY: 4483800 3962.1577 20253.5429 14491.7334 225.0484 -203373.5867 2549.5795 0.0000 0.0000 52069.1153 -109822.4095 299.2419 -161891.5248 -109452.6824 298.9213 9.4564 34.4038 759719.7352 -11.1286 -11.0771 PRESSURE: 4484000 143.689 -179.19 117.945 -179.191 120.551 -37.7201 117.944 -37.7196 15.5182 GPRESSURE: 4484000 47.4937 -78.4384 134.557 -138.446 245.941 -64.0029 5.46243 -125.737 45.8642 PRESSAVG: 4484000 13.7078 -0.386723 17.228 -0.386687 -49.6031 34.7432 17.2279 34.7433 27.4361 GPRESSAVG: 4484000 15.5072 0.0639447 17.4055 -0.493844 -50.2721 34.3728 17.5393 32.1708 25.7125 TIMING: 4484000 CPU: 14228.4, 0.00313137/step Wall: 14228.4, 0.00313137/step, 0.44883 hours remaining, 239.386719 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 3936.7478 20485.9145 14534.8015 241.2674 -203704.8832 2837.7128 0.0000 0.0000 51770.2044 -109898.2347 297.5241 -161668.4392 -109533.1868 298.8177 93.2525 113.0996 761241.3247 -2.8197 -3.0175 PRESSURE: 4484200 328.136 -39.7675 -59.5963 -39.7677 77.1443 88.2105 -59.5962 88.2092 308.28 GPRESSURE: 4484200 390.019 -8.53134 17.2423 -100.33 167.71 67.2128 -80.8896 65.2355 229.079 PRESSAVG: 4484200 -58.5403 2.21232 29.3966 2.2123 68.077 -12.2733 29.3965 -12.2732 -6.7476 GPRESSAVG: 4484200 -58.4035 0.996495 29.0398 3.36279 67.7188 -10.8686 30.1638 -10.7039 -6.55375 TIMING: 4484200 CPU: 14229, 0.00315803/step Wall: 14229, 0.00315803/step, 0.452475 hours remaining, 239.386719 MB of memory in use. ENERGY: 4484200 3890.7471 20496.5474 14436.9599 246.2417 -203599.8947 2662.7699 0.0000 0.0000 51945.9906 -109920.6381 298.5343 -161866.6287 -109563.7502 298.4660 237.8534 262.2692 760636.6182 0.9297 0.9205 LDB: ============= START OF LOAD BALANCING ============== 14241.4 LDB: ============== END OF LOAD BALANCING =============== 14241.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14241.4 LDB: ============= START OF LOAD BALANCING ============== 14241.8 LDB: Largest compute 7077 load 0.034432 is 17.6% of average load 0.195438 LDB: Average compute 0.004381 is 2.2% of average load 0.195438 LDB: TIME 14241.8 LOAD: AVG 0.195438 MAX 0.217171 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.16 MB LDB: TIME 14241.8 LOAD: AVG 0.195438 MAX 0.217171 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 MB LDB: TIME 14241.8 LOAD: AVG 0.195438 MAX 0.217171 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.363 MB LDB: ============== END OF LOAD BALANCING =============== 14241.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14241.8 PRESSURE: 4484400 24.3902 96.3294 -89.9699 96.3301 -61.098 81.2578 -89.9698 81.2573 92.133 GPRESSURE: 4484400 40.4476 3.07641 -54.3074 95.906 66.759 -11.2921 2.93274 -69.6236 39.8612 PRESSAVG: 4484400 19.9552 21.877 2.34866 21.8771 -47.9421 -16.5567 2.34867 -16.5567 2.48928 GPRESSAVG: 4484400 19.2523 23.7359 2.77151 21.1889 -46.9572 -17.8344 3.11601 -17.176 2.75246 TIMING: 4484400 CPU: 14229.6, 0.00322145/step Wall: 14229.6, 0.00322145/step, 0.461384 hours remaining, 242.601562 MB of memory in use. ENERGY: 4484400 3953.8179 20408.6928 14416.3204 248.0668 -203636.8218 2772.8018 0.0000 0.0000 52009.3443 -109827.7778 298.8984 -161837.1221 -109469.1744 299.1468 18.4750 49.0226 761066.2344 -8.4992 -8.3175 PRESSURE: 4484600 317.878 -118.949 150.53 -118.949 -49.6478 -63.2974 150.531 -63.2985 56.1109 GPRESSURE: 4484600 305.135 -116.127 107.227 -45.633 24.9772 -54.7565 62.5288 1.04952 58.8631 PRESSAVG: 4484600 64.3036 -1.2032 15.4223 -1.20316 -38.1332 -3.51337 15.4224 -3.51334 -10.0831 GPRESSAVG: 4484600 64.3483 -1.23389 14.6638 -3.4075 -38.3317 -5.23118 14.3419 -3.29943 -9.70635 TIMING: 4484600 CPU: 14230.3, 0.0031528/step Wall: 14230.3, 0.0031528/step, 0.451376 hours remaining, 242.800781 MB of memory in use. ENERGY: 4484600 3929.5180 20592.9044 14482.3262 227.0447 -203679.3287 2782.0109 0.0000 0.0000 52003.8129 -109661.7115 298.8666 -161665.5244 -109311.0147 299.2306 108.1137 129.6583 761728.7822 5.3624 5.4367 PRESSURE: 4484800 107.606 162.425 -62.9696 162.425 381.72 157.504 -62.9698 157.503 6.21124 GPRESSURE: 4484800 179.318 34.3242 -74.6078 214.782 376.464 130.222 107.306 221.67 41.3369 PRESSAVG: 4484800 -5.49191 22.2703 3.70594 22.2703 15.2156 -18.5039 3.70595 -18.5039 -6.4292 GPRESSAVG: 4484800 -5.12951 20.4044 5.53272 25.4104 14.7945 -17.7692 1.3814 -17.0964 -6.19645 TIMING: 4484800 CPU: 14230.9, 0.00315237/step Wall: 14230.9, 0.00315237/step, 0.451139 hours remaining, 242.800781 MB of memory in use. ENERGY: 4484800 3984.5200 20485.2201 14507.4345 248.1309 -203395.2594 2685.9875 0.0000 0.0000 52008.0408 -109475.9256 298.8909 -161483.9664 -109115.1512 299.7515 165.1788 199.0397 760919.6789 1.0982 1.1562 PRESSURE: 4485000 -483.135 53.1122 -144.321 53.1134 -142.386 55.0659 -144.322 55.0655 -194.491 GPRESSURE: 4485000 -412.675 8.20346 -191.767 59.7007 -87.8206 88.1183 -176.4 36.0054 -236.558 PRESSAVG: 4485000 -32.1114 45.798 -22.1107 45.798 58.0941 43.0622 -22.1107 43.0622 6.58782 GPRESSAVG: 4485000 -32.5303 47.5612 -24.306 44.3612 57.5244 45.3163 -20.1122 41.7607 7.51689 TIMING: 4485000 CPU: 14231.5, 0.00312877/step Wall: 14231.5, 0.00312877/step, 0.447588 hours remaining, 242.800781 MB of memory in use. ENERGY: 4485000 3908.6946 20519.3860 14457.9048 236.7736 -203219.1071 2288.6092 0.0000 0.0000 52122.1257 -109685.6132 299.5466 -161807.7389 -109328.6021 299.4609 -273.3374 -245.6846 761007.4445 10.8568 10.8370 PRESSURE: 4485200 138.751 -28.0054 65.3771 -28.0061 -327.087 -132.74 65.3776 -132.741 -23.1795 GPRESSURE: 4485200 209.925 -97.6937 47.7177 -58.2957 -298.014 -62.6673 -1.53796 -115.35 -60.1698 PRESSAVG: 4485200 11.3693 35.2811 9.32826 35.2811 -23.4126 -23.0161 9.3282 -23.0162 -2.40492 GPRESSAVG: 4485200 11.8765 34.68 10.9014 33.3298 -23.0434 -24.7929 8.11433 -22.7632 -3.6942 TIMING: 4485200 CPU: 14232.1, 0.00312781/step Wall: 14232.1, 0.00312781/step, 0.447276 hours remaining, 242.800781 MB of memory in use. ENERGY: 4485200 3994.1377 20597.5373 14446.0480 242.8080 -203670.7940 2773.3025 0.0000 0.0000 51914.7244 -109702.2360 298.3546 -161616.9605 -109334.5168 299.1603 -70.5051 -49.4198 760235.3737 -4.8161 -4.9537 PRESSURE: 4485400 -286.747 -29.2653 80.2319 -29.2657 37.9368 45.3719 80.2327 45.3723 -199.586 GPRESSURE: 4485400 -208.182 53.8098 121.678 28.8298 14.4498 87.465 64.8347 -56.3979 -158.133 PRESSAVG: 4485400 22.1125 -16.1765 -44.4642 -16.1766 14.551 -13.3005 -44.4641 -13.3005 40.2381 GPRESSAVG: 4485400 22.4782 -14.782 -45.1345 -14.0619 13.28 -13.6116 -44.2014 -13.3606 41.2224 TIMING: 4485400 CPU: 14232.8, 0.00315406/step Wall: 14232.8, 0.00315406/step, 0.450855 hours remaining, 242.800781 MB of memory in use. ENERGY: 4485400 3990.7718 20398.3608 14489.4719 228.3968 -203312.2665 2438.8949 0.0000 0.0000 51776.0081 -109990.3623 297.5574 -161766.3703 -109628.0596 298.7199 -149.4653 -117.2884 762228.7246 25.6339 25.6602 PRESSURE: 4485600 -113.439 -79.4941 -31.9218 -79.4942 -193.687 -126.55 -31.9219 -126.55 -427.52 GPRESSURE: 4485600 -19.6972 -4.67206 -62.9846 -100.062 -141.784 -132.895 -16.1632 -140.176 -484.448 PRESSAVG: 4485600 21.3299 10.2521 17.6728 10.2521 -35.6818 -31.1721 17.6728 -31.1721 19.3635 GPRESSAVG: 4485600 21.2929 9.72497 18.7356 11.3388 -34.8924 -30.6078 15.6529 -31.7864 19.0756 TIMING: 4485600 CPU: 14233.4, 0.00315171/step Wall: 14233.4, 0.00315171/step, 0.450345 hours remaining, 242.800781 MB of memory in use. ENERGY: 4485600 3959.6210 20626.0977 14453.9186 233.8088 -203761.8636 2519.2088 0.0000 0.0000 51790.4957 -110178.7130 297.6407 -161969.2088 -109819.9970 298.0822 -244.8818 -215.3096 759792.6324 1.6705 1.8254 PRESSURE: 4485800 81.5983 -30.0503 -29.256 -30.0501 105.287 146.585 -29.2553 146.584 -252.441 GPRESSURE: 4485800 215.719 -43.9458 -16.0933 14.585 145.117 185.379 -26.5229 130.02 -339.028 PRESSAVG: 4485800 34.773 -4.76365 18.4138 -4.76363 -25.3342 -4.7382 18.4138 -4.73822 -24.1837 GPRESSAVG: 4485800 35.9406 -3.5363 18.5402 -5.03137 -25.291 -4.48632 19.8316 -3.27739 -25.3866 TIMING: 4485800 CPU: 14234, 0.00315205/step Wall: 14234, 0.00315205/step, 0.450217 hours remaining, 242.800781 MB of memory in use. ENERGY: 4485800 4014.5563 20379.7809 14417.8771 236.4611 -204204.8063 2936.6551 0.0000 0.0000 51914.8481 -110304.6276 298.3553 -162219.4758 -109946.0522 298.1306 -21.8519 7.2692 760283.0010 -4.9150 -4.9123 PRESSURE: 4486000 248.773 -225.301 41.5944 -225.302 101.844 -25.9484 41.5936 -25.9485 581.734 GPRESSURE: 4486000 347.185 -211.751 -20.8752 -169.368 241.785 19.9801 224.759 -54.3638 445.754 PRESSAVG: 4486000 30.1743 17.2491 -29.9959 17.249 2.5663 12.3948 -29.9959 12.3948 -4.4241 GPRESSAVG: 4486000 29.7507 14.7408 -31.2284 17.2909 2.87548 12.8378 -29.5133 12.318 -4.00014 TIMING: 4486000 CPU: 14234.7, 0.00314729/step Wall: 14234.7, 0.00314729/step, 0.449364 hours remaining, 242.800781 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: 4486000 3926.1784 20361.5578 14505.5381 254.6782 -203946.5739 2667.0090 0.0000 0.0000 51790.1097 -110441.5026 297.6385 -162231.6123 -110082.3086 297.6371 310.7837 344.9077 759062.8363 9.4388 9.5420 PRESSURE: 4486200 155.256 64.1829 -229.006 64.1833 -34.6323 -48.0466 -229.007 -48.0463 42.4896 GPRESSURE: 4486200 277.876 12.1729 -193.727 41.3179 -94.9515 -55.28 -260.036 -133.117 54.2346 PRESSAVG: 4486200 -21.9117 -20.1471 1.85655 -20.1471 -33.8349 -23.967 1.85655 -23.967 -16.6576 GPRESSAVG: 4486200 -22.5135 -18.4002 3.01101 -19.6827 -34.7135 -25.0204 1.66013 -25.1621 -15.7072 TIMING: 4486200 CPU: 14235.3, 0.00316496/step Wall: 14235.3, 0.00316496/step, 0.45171 hours remaining, 242.800781 MB of memory in use. ENERGY: 4486200 3979.3260 20393.7982 14500.0373 255.6233 -203974.7595 2619.3367 0.0000 0.0000 51928.9187 -110297.7195 298.4362 -162226.6381 -109935.1043 297.8735 54.3710 79.0531 760019.2468 -24.1347 -24.3114 PRESSURE: 4486400 331.705 89.5025 82.97 89.5015 102.538 19.158 82.9705 19.1588 367.919 GPRESSURE: 4486400 338.622 -50.3018 133.064 67.7354 129.292 -22.3136 60.0598 28.4753 419.304 PRESSAVG: 4486400 7.63266 -32.7644 -8.26675 -32.7644 -25.7308 -20.0508 -8.26674 -20.0508 3.51094 GPRESSAVG: 4486400 7.80063 -33.6672 -9.50398 -34.0356 -24.6469 -18.7664 -8.15386 -22.1337 2.71108 TIMING: 4486400 CPU: 14235.9, 0.00316151/step Wall: 14235.9, 0.00316151/step, 0.451042 hours remaining, 242.800781 MB of memory in use. ENERGY: 4486400 4036.2148 20526.0386 14533.5863 229.5592 -204147.1674 2692.1993 0.0000 0.0000 51920.7413 -110208.8279 298.3892 -162129.5692 -109850.1291 298.1972 267.3874 295.7390 758798.4490 -4.8624 -4.7117 PRESSURE: 4486600 -377.319 -214.428 -191.509 -214.427 117.756 -230.618 -191.509 -230.618 -469.614 GPRESSURE: 4486600 -337.945 -78.5522 -210.417 -121.615 189.196 -143.254 -137.553 -284.158 -483.556 PRESSAVG: 4486600 16.8987 -13.7372 -25.2274 -13.7372 -10.7485 -43.9643 -25.2275 -43.9642 12.323 GPRESSAVG: 4486600 17.9373 -11.7677 -24.9777 -13.9794 -10.803 -44.9221 -22.7727 -44.4936 11.7138 TIMING: 4486600 CPU: 14236.6, 0.00316745/step Wall: 14236.6, 0.00316745/step, 0.451713 hours remaining, 242.800781 MB of memory in use. ENERGY: 4486600 4044.5880 20449.3382 14538.2673 273.7827 -203979.3920 2485.1218 0.0000 0.0000 52180.2948 -110007.9993 299.8809 -162188.2940 -109651.6765 298.3799 -243.0588 -210.7683 758395.7462 6.1577 6.2827 PRESSURE: 4486800 72.1842 64.8227 26.8329 64.8222 -126.549 -65.977 26.8327 -65.9759 209.239 GPRESSURE: 4486800 77.4598 -5.58151 25.1124 66.911 -58.6359 -98.5568 -53.3077 -127.421 215.191 PRESSAVG: 4486800 38.7946 -44.971 11.4869 -44.9711 -13.8841 20.6517 11.4869 20.6516 -21.3038 GPRESSAVG: 4486800 38.3939 -48.2583 12.276 -44.2603 -14.4917 22.5101 8.79848 22.7791 -20.4222 TIMING: 4486800 CPU: 14237.2, 0.00316816/step Wall: 14237.2, 0.00316816/step, 0.451639 hours remaining, 242.800781 MB of memory in use. ENERGY: 4486800 3956.3332 20365.0963 14512.9843 257.7797 -203586.2886 2664.6270 0.0000 0.0000 52015.3063 -109814.1618 298.9327 -161829.4681 -109450.6660 299.0024 51.6248 78.0051 758755.5333 1.2022 1.1600 PRESSURE: 4487000 145.777 153.379 4.22374 153.379 -317.614 26.2686 4.22351 26.2681 -218.784 GPRESSURE: 4487000 74.667 48.7474 -5.91679 121.256 -184.45 19.492 -32.8068 -30.6995 -195.679 PRESSAVG: 4487000 38.3961 -9.29859 -21.8643 -9.29867 -44.9087 -55.0918 -21.8643 -55.0918 -16.3958 GPRESSAVG: 4487000 36.9378 -7.63358 -22.663 -10.4813 -44.5201 -55.502 -21.0042 -55.8382 -15.9808 TIMING: 4487000 CPU: 14237.8, 0.0031397/step Wall: 14237.8, 0.0031397/step, 0.447407 hours remaining, 242.800781 MB of memory in use. ENERGY: 4487000 3945.9400 20595.3362 14533.4781 246.3764 -203725.8521 2451.5227 0.0000 0.0000 52125.6633 -109827.5353 299.5669 -161953.1987 -109469.2818 299.3167 -130.2071 -101.8207 759488.6604 -7.6361 -7.8544 PRESSURE: 4487200 -1.03821 40.2281 -163.086 40.2288 268.523 -21.8272 -163.086 -21.8265 -152.197 GPRESSURE: 4487200 -17.9828 55.2321 -37.7616 65.2136 326.75 -35.6014 -123.684 -78.6919 -106.87 PRESSAVG: 4487200 -38.6974 -59.2421 -19.5045 -59.2422 39.894 -20.7518 -19.5045 -20.7517 -22.9294 GPRESSAVG: 4487200 -38.0612 -60.6413 -19.116 -57.3527 39.6277 -21.6497 -18.5766 -22.9508 -23.1531 TIMING: 4487200 CPU: 14238.5, 0.00313866/step Wall: 14238.5, 0.00313866/step, 0.447084 hours remaining, 242.800781 MB of memory in use. ENERGY: 4487200 4005.2764 20323.6875 14387.6182 240.0522 -203414.9888 2637.2089 0.0000 0.0000 51990.5469 -109830.5987 298.7904 -161821.1456 -109469.5038 298.9753 38.4292 67.2993 760519.2218 -7.2443 -7.1955 PRESSURE: 4487400 -329.447 -142.963 -59.5507 -142.964 22.769 -301.384 -59.5518 -301.383 -464.38 GPRESSURE: 4487400 -320.011 15.8511 -76.7178 -43.9724 82.4002 -303.57 38.1066 -231.836 -437.202 PRESSAVG: 4487400 -23.2382 -56.4332 25.9207 -56.4332 13.7033 -30.3451 25.9206 -30.345 -18.7523 GPRESSAVG: 4487400 -23.3725 -54.5795 26.6213 -56.1885 14.1755 -31.1323 23.1908 -27.869 -18.3083 TIMING: 4487400 CPU: 14239.1, 0.00314464/step Wall: 14239.1, 0.00314464/step, 0.447761 hours remaining, 242.800781 MB of memory in use. ENERGY: 4487400 3995.8543 20342.2909 14487.0232 250.0573 -203479.8380 2474.2872 0.0000 0.0000 52141.4304 -109788.8946 299.6575 -161930.3250 -109434.6188 298.9084 -257.0195 -224.9374 762613.5622 -9.4291 -9.1684 PRESSURE: 4487600 8.27606 139.853 49.9239 139.852 55.029 28.6217 49.9241 28.6209 8.51294 GPRESSURE: 4487600 66.1784 102.394 116.281 26.3021 64.3182 -58.1192 66.1154 87.8542 14.7022 PRESSAVG: 4487600 -18.9763 -56.6559 -33.038 -56.656 3.75502 -30.6339 -33.038 -30.6339 -11.8029 GPRESSAVG: 4487600 -18.7878 -56.0444 -33.1856 -56.789 3.51395 -30.7531 -30.1644 -29.7401 -11.4864 TIMING: 4487600 CPU: 14239.7, 0.00314833/step Wall: 14239.7, 0.00314833/step, 0.448112 hours remaining, 242.800781 MB of memory in use. ENERGY: 4487600 4079.5254 20438.5053 14497.9932 239.5462 -203644.7060 2558.4045 0.0000 0.0000 52055.3359 -109775.3956 299.1627 -161830.7314 -109413.0447 298.8993 23.9393 48.3996 759246.5964 -9.0081 -8.9201 PRESSURE: 4487800 271.155 13.1025 234.862 13.1022 -146.81 91.7957 234.862 91.7958 -246.258 GPRESSURE: 4487800 57.5266 -28.8847 174.603 -152.54 96.2037 20.8162 156.858 67.9019 -186.462 PRESSAVG: 4487800 37.797 40.6102 19.824 40.6102 -13.9781 -2.01622 19.824 -2.01633 -7.24143 GPRESSAVG: 4487800 38.8746 40.4723 17.8563 38.9327 -13.4299 -1.79407 17.5999 -3.11435 -9.09517 TIMING: 4487800 CPU: 14240.3, 0.00315406/step Wall: 14240.3, 0.00315406/step, 0.448752 hours remaining, 242.800781 MB of memory in use. ENERGY: 4487800 3913.7223 20628.8003 14450.5358 235.8484 -203886.3685 2812.0451 0.0000 0.0000 52027.1186 -109818.2979 299.0006 -161845.4166 -109451.0049 299.2531 -40.6376 -10.9107 760689.5059 5.5258 5.4499 PRESSURE: 4488000 -23.0804 -28.0192 58.0522 -28.0195 240.529 -148.242 58.0518 -148.242 -3.29153 GPRESSURE: 4488000 -39.5037 -32.649 37.8561 -92.2589 296.113 -111.95 40.9464 -182.221 47.5524 PRESSAVG: 4488000 2.37871 40.0945 37.8627 40.0945 44.102 11.5748 37.8626 11.5749 5.88413 GPRESSAVG: 4488000 1.0796 38.5515 38.26 39.4355 43.874 11.8582 38.3712 12.3639 7.59148 TIMING: 4488000 CPU: 14241, 0.00317825/step Wall: 14241, 0.00317825/step, 0.452018 hours remaining, 242.800781 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: 4488000 3975.1633 20468.9236 14548.2514 268.1174 -203311.6648 2424.9039 0.0000 0.0000 52023.4463 -109602.8589 298.9795 -161626.3052 -109224.8348 299.3489 71.3855 101.3871 759131.3334 17.4550 17.5150 PRESSURE: 4488200 174.48 -58.3734 -17.654 -58.3737 -30.3221 -169.006 -17.6523 -169.005 349.54 GPRESSURE: 4488200 259.086 -28.3895 20.9613 -101.022 -83.0701 -212.307 47.3903 -105.721 403.359 PRESSAVG: 4488200 21.594 11.3827 -45.273 11.3827 -14.9754 -34.805 -45.2731 -34.805 -8.30327 GPRESSAVG: 4488200 22.7897 11.6646 -43.2536 13.8474 -16.0821 -34.5302 -45.8685 -35.2682 -8.96973 TIMING: 4488200 CPU: 14241.6, 0.00316777/step Wall: 14241.6, 0.00316777/step, 0.450352 hours remaining, 242.800781 MB of memory in use. ENERGY: 4488200 4043.6288 20467.9551 14429.7206 263.9097 -203946.8831 2885.7238 0.0000 0.0000 52171.9632 -109683.9819 299.8330 -161855.9451 -109326.9592 299.2731 164.5660 193.1250 759863.3401 -0.5616 -0.7540 LDB: ============= START OF LOAD BALANCING ============== 14254.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14254.1 LDB: =============== DONE WITH MIGRATION ================ 14254.1 LDB: ============= START OF LOAD BALANCING ============== 14254.4 LDB: Largest compute 7078 load 0.035304 is 18.1% of average load 0.195548 LDB: Average compute 0.004373 is 2.2% of average load 0.195548 LDB: TIME 14254.4 LOAD: AVG 0.195548 MAX 0.217206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 14254.4 LOAD: AVG 0.195548 MAX 0.217206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 14254.4 LOAD: AVG 0.195548 MAX 0.217206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 14254.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14254.4 PRESSURE: 4488400 -158.105 145.142 -14.6061 145.143 60.8744 225.984 -14.607 225.984 -103.848 GPRESSURE: 4488400 -111.698 52.5334 -3.31176 323.381 33.3592 217.699 -66.4408 184.796 -46.2369 PRESSAVG: 4488400 40.9609 1.8516 -57.027 1.85156 -65.2296 15.2719 -57.0271 15.2719 26.0023 GPRESSAVG: 4488400 41.3834 2.42562 -58.2673 0.137816 -65.5217 15.4747 -56.4128 14.6828 26.1191 TIMING: 4488400 CPU: 14242.3, 0.00322585/step Wall: 14242.3, 0.00322585/step, 0.458429 hours remaining, 239.015625 MB of memory in use. ENERGY: 4488400 3984.4346 20589.9678 14532.4747 221.3894 -203790.1648 2471.0339 0.0000 0.0000 52101.1256 -109889.7389 299.4259 -161990.8644 -109528.1798 298.8169 -67.0261 -41.5251 760978.6702 0.5779 0.6603 PRESSURE: 4488600 -175.783 -27.8885 -54.5191 -27.8886 -329.744 239.193 -54.5184 239.193 -310.839 GPRESSURE: 4488600 -200.922 -94.4042 15.4522 -42.5802 -194.063 200.083 -56.7616 109.42 -317.127 PRESSAVG: 4488600 63.0201 25.3909 -41.8198 25.3909 -46.9043 3.27247 -41.8197 3.27246 -34.5797 GPRESSAVG: 4488600 62.6324 25.5094 -40.9112 25.6008 -45.0594 2.45198 -40.4504 2.13621 -35.6225 TIMING: 4488600 CPU: 14242.9, 0.00316299/step Wall: 14242.9, 0.00316299/step, 0.44932 hours remaining, 239.015625 MB of memory in use. ENERGY: 4488600 4028.9815 20555.7693 14480.7418 243.4569 -203612.8536 2605.8752 0.0000 0.0000 51975.0001 -109723.0288 298.7010 -161698.0288 -109365.8563 298.8531 -272.1223 -237.3706 761992.3943 -6.1546 -6.0165 PRESSURE: 4488800 -7.82908 -170.345 -93.7826 -170.346 200.346 -230.236 -93.7828 -230.235 -274.394 GPRESSURE: 4488800 10.7532 -58.0531 -100.383 -144.434 170.375 -279.219 -82.6017 -127.996 -175.654 PRESSAVG: 4488800 19.8243 -53.9923 -77.092 -53.9922 -10.2707 -34.2009 -77.092 -34.2009 -22.6417 GPRESSAVG: 4488800 19.0103 -54.0952 -78.3483 -52.1824 -10.13 -33.1524 -79.6746 -34.7501 -22.4626 TIMING: 4488800 CPU: 14243.5, 0.00315352/step Wall: 14243.5, 0.00315352/step, 0.447799 hours remaining, 239.015625 MB of memory in use. ENERGY: 4488800 3954.1422 20615.0464 14552.3669 243.2743 -203501.3437 2406.2405 0.0000 0.0000 51883.2322 -109847.0412 298.1736 -161730.2734 -109486.9996 298.6477 -27.2924 1.8249 758814.6846 -4.3627 -4.5274 PRESSURE: 4489000 32.1369 71.8143 -156.781 71.8151 276.705 113.845 -156.781 113.843 215.621 GPRESSURE: 4489000 108.509 30.2189 -154.647 -85.5799 274.633 108.166 -68.6167 160.376 223.053 PRESSAVG: 4489000 23.9825 5.16702 -24.1836 5.16697 -3.87521 39.7642 -24.1836 39.7642 21.2554 GPRESSAVG: 4489000 25.0272 5.56181 -23.784 5.55296 -5.26451 39.4068 -22.7266 40.8003 21.8566 TIMING: 4489000 CPU: 14244.2, 0.00314617/step Wall: 14244.2, 0.00314617/step, 0.446581 hours remaining, 239.015625 MB of memory in use. ENERGY: 4489000 3912.8303 20522.2010 14473.5891 241.9666 -203732.8495 2656.1623 0.0000 0.0000 52180.8743 -109745.2258 299.8842 -161926.1002 -109373.8202 298.5035 174.8209 202.0652 758905.2603 13.7876 13.8731 PRESSURE: 4489200 -83.9246 -116.078 24.8159 -116.078 1.29278 -7.99887 24.8161 -7.99817 -210.271 GPRESSURE: 4489200 -66.7254 -103.82 -30.2397 -196.851 84.2183 -56.4755 35.0293 111.398 -262.351 PRESSAVG: 4489200 30.3707 -32.0504 14.9838 -32.0505 17.833 30.4691 14.9838 30.469 21.0625 GPRESSAVG: 4489200 27.8685 -30.9294 15.0905 -35.1985 19.5973 30.7383 14.6244 31.0411 21.2856 TIMING: 4489200 CPU: 14244.8, 0.00314695/step Wall: 14244.8, 0.00314695/step, 0.446517 hours remaining, 239.015625 MB of memory in use. ENERGY: 4489200 4034.5896 20445.0488 14468.5745 243.6413 -203284.3754 2436.9283 0.0000 0.0000 52074.5130 -109581.0799 299.2729 -161655.5929 -109222.0172 299.5999 -97.6344 -81.6195 760181.3281 23.0887 22.9171 PRESSURE: 4489400 -492.248 -37.9646 -104.562 -37.9641 -78.0046 307.97 -104.561 307.97 289.636 GPRESSURE: 4489400 -473.878 19.3094 -146.93 -31.6791 -14.3731 322.558 -41.2382 367.416 291.52 PRESSAVG: 4489400 32.6256 -2.93537 3.90996 -2.93533 -25.3854 -34.0842 3.90994 -34.0841 -3.40353 GPRESSAVG: 4489400 34.5952 -2.91563 4.34148 -2.90801 -26.2862 -35.6701 4.75984 -31.3364 -4.51957 TIMING: 4489400 CPU: 14245.4, 0.00314238/step Wall: 14245.4, 0.00314238/step, 0.445695 hours remaining, 239.015625 MB of memory in use. ENERGY: 4489400 3993.0254 20549.6795 14494.1696 229.7051 -203517.5340 2438.2250 0.0000 0.0000 52201.3626 -109611.3669 300.0019 -161812.7295 -109260.0722 299.6799 -93.5389 -65.5770 760003.0055 1.2789 1.2632 PRESSURE: 4489600 273.869 87.0714 -54.7315 87.0709 -149.193 277.288 -54.7312 277.287 286.526 GPRESSURE: 4489600 323.174 147.408 -66.498 23.3065 -130.847 262.818 22.6074 137.252 287.441 PRESSAVG: 4489600 8.69751 -46.6683 -35.1324 -46.6683 -9.5508 48.251 -35.1324 48.251 -3.73299 GPRESSAVG: 4489600 7.79935 -48.6643 -35.5265 -44.8455 -8.36584 50.5127 -34.8021 46.1508 -4.1847 TIMING: 4489600 CPU: 14246, 0.00314716/step Wall: 14246, 0.00314716/step, 0.446197 hours remaining, 239.015625 MB of memory in use. ENERGY: 4489600 3941.2899 20609.2415 14477.5484 255.9142 -203958.4246 2840.6940 0.0000 0.0000 52167.4552 -109666.2813 299.8071 -161833.7366 -109297.2739 299.4501 137.0673 159.9229 759443.9522 -1.5288 -1.5837 PRESSURE: 4489800 70.0363 66.5099 51.6387 66.5101 -184.685 92.2962 51.6388 92.2955 -9.08635 GPRESSURE: 4489800 196.754 10.8086 -4.13949 17.5812 -99.121 72.6562 -28.141 74.008 -116.688 PRESSAVG: 4489800 35.5111 -25.4768 -56.9698 -25.4768 -11.4356 2.4178 -56.9698 2.41786 18.1672 GPRESSAVG: 4489800 37.5936 -23.4102 -56.6446 -25.3324 -12.9007 1.57396 -58.6623 2.50624 18.1771 TIMING: 4489800 CPU: 14246.7, 0.00315513/step Wall: 14246.7, 0.00315513/step, 0.447152 hours remaining, 239.015625 MB of memory in use. ENERGY: 4489800 4013.6962 20398.3979 14473.4972 244.5926 -203620.9247 2550.3156 0.0000 0.0000 52285.5656 -109654.8595 300.4859 -161940.4251 -109297.5382 299.6541 -41.2451 -6.3516 756622.5211 14.0809 14.2900 PRESSURE: 4490000 -128.663 58.8141 -47.7668 58.8138 -164.977 -144.56 -47.7667 -144.56 140.997 GPRESSURE: 4490000 -131.443 43.4325 -104.031 92.4949 -27.0985 -89.2076 -26.2621 -182.74 99.0366 PRESSAVG: 4490000 9.13265 -11.7576 -10.8816 -11.7576 -5.86466 -32.5636 -10.8816 -32.5636 1.82839 GPRESSAVG: 4490000 8.40755 -14.434 -10.9214 -12.0556 -5.56474 -31.894 -12.2842 -30.7535 2.07176 TIMING: 4490000 CPU: 14247.3, 0.00314672/step Wall: 14247.3, 0.00314672/step, 0.445786 hours remaining, 239.015625 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: 4490000 4006.0231 20329.5670 14472.7700 238.2963 -203300.5060 2589.3720 0.0000 0.0000 52167.6777 -109496.8000 299.8084 -161664.4777 -109125.3884 299.5106 -50.8813 -19.8350 759580.8323 1.6988 1.6382 PRESSURE: 4490200 -178.839 -48.9664 95.4565 -48.9661 160.003 -181.652 95.4566 -181.652 -312.206 GPRESSURE: 4490200 -102.956 -41.7216 18.0399 -109.75 97.425 -176.499 154.315 -177.48 -235.464 PRESSAVG: 4490200 -36.2567 -5.11122 13.2532 -5.11123 45.247 42.1082 13.2531 42.1081 -22.9693 GPRESSAVG: 4490200 -37.4094 -3.11072 13.8588 -6.4877 44.6449 41.6042 16.786 40.2073 -21.7341 TIMING: 4490200 CPU: 14247.9, 0.00314605/step Wall: 14247.9, 0.00314605/step, 0.445515 hours remaining, 239.015625 MB of memory in use. ENERGY: 4490200 4044.6625 20466.1570 14513.5847 254.9310 -203502.5627 2623.5177 0.0000 0.0000 52221.0865 -109378.6233 300.1153 -161599.7098 -109008.1596 299.6820 -110.3470 -80.3316 759837.8594 -4.6597 -4.8329 PRESSURE: 4490400 35.1219 154.821 -68.3241 154.822 -137.477 -129.696 -68.3241 -129.695 -419.69 GPRESSURE: 4490400 29.6225 182.212 -82.0288 141.482 -13.6894 -152.939 -112.81 -31.1798 -457.464 PRESSAVG: 4490400 6.30615 -1.63802 12.8816 -1.63795 32.1174 -25.0311 12.8816 -25.0311 7.80564 GPRESSAVG: 4490400 5.7101 -0.93129 13.2747 -0.0764969 33.7658 -25.8576 11.5215 -23.8605 6.75163 TIMING: 4490400 CPU: 14248.6, 0.00317075/step Wall: 14248.6, 0.00317075/step, 0.448837 hours remaining, 239.015625 MB of memory in use. ENERGY: 4490400 4034.1071 20639.5875 14529.0023 220.5247 -203363.0892 2464.7162 0.0000 0.0000 52007.0889 -109468.0626 298.8855 -161475.1514 -109100.2167 299.8873 -174.0149 -147.1771 761789.9686 15.4097 15.4092 PRESSURE: 4490600 -286.244 -37.7993 -49.5343 -37.7996 -129.763 132.34 -49.5347 132.341 -46.6041 GPRESSURE: 4490600 -228.713 -55.3026 -18.9224 -42.157 -109.407 144.286 -56.7225 -43.6026 -50.6752 PRESSAVG: 4490600 -32.0374 7.57998 -14.8569 7.57984 22.445 41.7845 -14.8569 41.7844 -21.7966 GPRESSAVG: 4490600 -31.8227 7.64614 -15.7629 7.60435 22.8072 43.0866 -15.3963 40.2222 -22.2425 TIMING: 4490600 CPU: 14249.2, 0.00315558/step Wall: 14249.2, 0.00315558/step, 0.446515 hours remaining, 239.015625 MB of memory in use. ENERGY: 4490600 4020.9882 20579.2917 14552.6143 233.3817 -203617.0570 2457.3926 0.0000 0.0000 52294.1343 -109479.2542 300.5351 -161773.3885 -109108.5589 299.8634 -154.2036 -129.5986 761899.9047 -10.4630 -10.4193 PRESSURE: 4490800 -146.873 -125.374 -257.243 -125.374 -104.566 -113.006 -257.242 -113.005 -146.964 GPRESSURE: 4490800 -190.488 -125.722 -263.991 -61.8163 -19.5467 -47.9252 -174.988 -196.233 -126.481 PRESSAVG: 4490800 9.88373 10.1791 -61.8763 10.1791 -0.379112 27.4522 -61.8763 27.4522 -32.8572 GPRESSAVG: 4490800 9.89935 8.45811 -61.8144 8.34039 -1.73604 26.9377 -61.6194 25.6046 -31.3797 TIMING: 4490800 CPU: 14249.8, 0.00315316/step Wall: 14249.8, 0.00315316/step, 0.445997 hours remaining, 239.015625 MB of memory in use. ENERGY: 4490800 4094.6138 20659.0527 14646.2855 232.7668 -203383.1737 2338.8789 0.0000 0.0000 52062.4607 -109349.1155 299.2037 -161411.5762 -108995.9740 300.1547 -132.8011 -112.1719 762712.1667 -7.7842 -7.7388 PRESSURE: 4491000 89.8877 19.2443 252.179 19.244 -128.63 24.5876 252.18 24.5874 -56.4263 GPRESSURE: 4491000 164.661 22.9382 249.61 48.0621 -105.216 59.2745 209.243 72.2271 -65.5532 PRESSAVG: 4491000 37.7955 -39.9039 -24.732 -39.9039 20.9181 20.2951 -24.732 20.2951 17.8892 GPRESSAVG: 4491000 38.0489 -37.3711 -24.8301 -39.309 21.7766 20.3874 -24.6537 24.2591 17.1042 TIMING: 4491000 CPU: 14250.5, 0.00314857/step Wall: 14250.5, 0.00314857/step, 0.445172 hours remaining, 239.015625 MB of memory in use. ENERGY: 4491000 4011.5961 20521.3385 14504.6407 240.8233 -203378.2807 2721.9467 0.0000 0.0000 51830.7367 -109547.1988 297.8720 -161377.9354 -109181.1416 299.8600 -31.7227 -2.0361 762199.7198 25.5342 25.6432 PRESSURE: 4491200 -144.296 -214.248 -245.295 -214.248 -39.4829 -181.288 -245.294 -181.288 -199.765 GPRESSURE: 4491200 -153.912 -140.121 -238.075 -233.51 131.991 -223.346 -198.173 -170.663 -264.745 PRESSAVG: 4491200 23.639 5.46655 43.1923 5.46658 4.02637 -52.2153 43.1924 -52.2154 5.12383 GPRESSAVG: 4491200 23.8544 4.19512 41.4342 5.20879 3.03717 -53.2 43.7377 -52.5925 5.49872 TIMING: 4491200 CPU: 14251.1, 0.00315856/step Wall: 14251.1, 0.00315856/step, 0.44641 hours remaining, 239.015625 MB of memory in use. ENERGY: 4491200 4048.3732 20539.7509 14539.5044 235.5511 -203381.5607 2357.2786 0.0000 0.0000 52057.8911 -109603.2115 299.1774 -161661.1026 -109239.9442 299.3838 -127.8478 -95.5555 761009.4682 10.9297 10.7968 PRESSURE: 4491400 -74.3899 322.157 139.42 322.157 117.903 264.387 139.42 264.387 251.783 GPRESSURE: 4491400 29.247 336.451 95.2899 302.63 117.321 224.58 46.6097 205.895 252.876 PRESSAVG: 4491400 5.74269 59.7951 30.2194 59.7951 -16.9392 43.1914 30.2194 43.1914 -3.28792 GPRESSAVG: 4491400 4.74189 59.3632 31.9215 59.5996 -15.63 45.1711 28.0138 42.8809 -3.37495 TIMING: 4491400 CPU: 14251.7, 0.00314197/step Wall: 14251.7, 0.00314197/step, 0.443891 hours remaining, 239.015625 MB of memory in use. ENERGY: 4491400 4010.0720 20567.7527 14461.6790 241.5022 -203765.4555 2672.2125 0.0000 0.0000 52045.3296 -109766.9075 299.1052 -161812.2371 -109409.3632 298.9880 98.4320 133.1480 761266.9040 -4.8282 -4.7544 PRESSURE: 4491600 -530.25 158.357 -41.7098 158.357 -440.455 -108.109 -41.7099 -108.109 -6.29581 GPRESSURE: 4491600 -420.142 152.262 -32.0471 206.429 -451.474 -119.291 37.8658 -153.824 -21.4897 PRESSAVG: 4491600 31.4361 2.03823 36.3165 2.0382 -51.183 -40.9027 36.3165 -40.9029 -12.302 GPRESSAVG: 4491600 32.1402 2.82325 36.3998 3.32914 -51.9549 -40.4383 37.247 -42.1802 -12.7386 TIMING: 4491600 CPU: 14252.3, 0.00313256/step Wall: 14252.3, 0.00313256/step, 0.442387 hours remaining, 239.015625 MB of memory in use. ENERGY: 4491600 4051.8178 20734.4537 14477.7782 248.9731 -203514.6802 2321.9075 0.0000 0.0000 51971.8813 -109707.8686 298.6831 -161679.7498 -109347.0373 299.4913 -325.6669 -297.7019 761916.0456 -10.6830 -10.8511 PRESSURE: 4491800 -9.20697 -120.22 3.56087 -120.221 101.744 0.276827 3.56053 0.277504 117.888 GPRESSURE: 4491800 3.2778 -65.089 -6.88136 -110.142 207.381 -12.9082 -35.1211 17.8462 79.3304 PRESSAVG: 4491800 1.56393 -7.09604 28.3206 -7.09603 15.4086 37.3025 28.3205 37.3025 -11.2324 GPRESSAVG: 4491800 2.00239 -10.2882 28.2898 -6.7616 14.634 36.3222 27.8654 37.3333 -11.4426 TIMING: 4491800 CPU: 14253, 0.00312745/step Wall: 14253, 0.00312745/step, 0.441492 hours remaining, 239.015625 MB of memory in use. ENERGY: 4491800 4020.7806 20426.1990 14480.3198 250.0503 -203855.2333 2834.5137 0.0000 0.0000 52316.9729 -109526.3969 300.6664 -161843.3699 -109149.2307 299.7174 70.1416 96.6632 759629.0015 1.9134 1.7313 PRESSURE: 4492000 -146.547 -19.9298 -61.4506 -19.9296 95.3715 54.6231 -61.4506 54.6233 -55.9836 GPRESSURE: 4492000 -123.547 4.32918 -146.732 61.6758 167.532 95.1973 4.02788 5.84366 -54.2197 PRESSAVG: 4492000 -11.0258 3.09963 -22.4843 3.09966 26.0099 23.5422 -22.4843 23.5421 -30.2806 GPRESSAVG: 4492000 -12.2005 6.51426 -23.5202 1.31228 25.898 25.465 -24.6884 22.1685 -28.9206 TIMING: 4492000 CPU: 14253.6, 0.00312527/step Wall: 14253.6, 0.00312527/step, 0.44101 hours remaining, 239.015625 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: 4492000 4000.6714 20535.3354 14527.7238 251.7379 -203359.8261 2384.8356 0.0000 0.0000 52065.4685 -109594.0534 299.2210 -161659.5220 -109225.0993 299.3163 -35.7196 -3.4118 760394.7401 -5.0988 -5.0744 PRESSURE: 4492200 -255.289 14.4257 -122.051 14.4256 -258.065 140.313 -122.051 140.314 -72.0549 GPRESSURE: 4492200 -213.297 -58.3502 -83.7996 -76.5203 -265.602 257.669 -29.8885 75.4266 -29.8161 PRESSAVG: 4492200 -2.19251 1.82088 -7.24583 1.82095 -10.391 11.8504 -7.24574 11.8503 -2.18659 GPRESSAVG: 4492200 -0.950945 1.0791 -7.85893 1.59693 -10.4548 8.58838 -3.94084 13.269 -3.01013 TIMING: 4492200 CPU: 14254.2, 0.00312739/step Wall: 14254.2, 0.00312739/step, 0.441136 hours remaining, 239.015625 MB of memory in use. ENERGY: 4492200 4023.3231 20528.5587 14486.4832 255.8958 -203206.0687 2158.2774 0.0000 0.0000 52098.8752 -109654.6553 299.4130 -161753.5306 -109286.9857 299.3599 -195.1362 -169.5717 759384.6933 -4.9234 -4.8053 LDB: ============= START OF LOAD BALANCING ============== 14266.7 LDB: ============== END OF LOAD BALANCING =============== 14266.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14266.7 LDB: ============= START OF LOAD BALANCING ============== 14267 LDB: Largest compute 7078 load 0.035056 is 17.9% of average load 0.195421 LDB: Average compute 0.004395 is 2.2% of average load 0.195421 LDB: TIME 14267 LOAD: AVG 0.195421 MAX 0.21488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.832 MB LDB: TIME 14267 LOAD: AVG 0.195421 MAX 0.21488 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.031 MB LDB: TIME 14267 LOAD: AVG 0.195421 MAX 0.21488 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.031 MB LDB: ============== END OF LOAD BALANCING =============== 14267 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 PRESSURE: 4492400 -196.237 104.638 -1.24837 104.637 113.712 -8.14952 -1.24834 -8.1494 205.238 GPRESSURE: 4492400 -185.899 103.461 -11.1478 31.282 244.372 42.4149 -34.1165 -144.028 162.746 PRESSAVG: 4492400 -25.5897 -54.1885 -37.5477 -54.1885 -37.4708 -15.1648 -37.5478 -15.1648 4.81919 GPRESSAVG: 4492400 -25.9015 -54.5953 -37.1348 -51.3951 -36.6 -14.0271 -38.4759 -15.6932 4.47328 TIMING: 4492400 CPU: 14254.9, 0.00319552/step Wall: 14254.9, 0.00319552/step, 0.450568 hours remaining, 239.449219 MB of memory in use. ENERGY: 4492400 3968.0048 20529.9704 14487.9038 236.0062 -203340.7131 2520.2751 0.0000 0.0000 51928.4091 -109670.1438 298.4333 -161598.5529 -109308.5323 299.1283 40.9042 73.7398 760818.1787 -19.4138 -19.3427 PRESSURE: 4492600 102.914 168.746 -121.406 168.746 -124.683 -43.4452 -121.405 -43.4455 -303.16 GPRESSURE: 4492600 164.175 -7.59187 -108.835 122.098 -82.4861 -57.6194 -18.8614 -62.8454 -327.394 PRESSAVG: 4492600 -17.0611 6.41419 -13.5317 6.41415 -4.18078 41.9022 -13.5316 41.9023 -30.3173 GPRESSAVG: 4492600 -17.512 4.23717 -12.9898 3.35667 -5.21963 42.1046 -14.8288 41.1046 -28.6726 TIMING: 4492600 CPU: 14255.5, 0.00313538/step Wall: 14255.5, 0.00313538/step, 0.441915 hours remaining, 239.449219 MB of memory in use. ENERGY: 4492600 3986.3561 20592.2697 14455.7470 250.3099 -203479.8188 2487.4185 0.0000 0.0000 52114.9100 -109592.8075 299.5051 -161707.7176 -109227.3890 299.3315 -108.3095 -81.9017 760271.3655 -17.1864 -17.1347 PRESSURE: 4492800 -81.6736 -247.446 103.032 -247.445 432.124 270.016 103.031 270.017 -200.541 GPRESSURE: 4492800 -80.4562 -143.006 -37.2993 -199.925 483.29 241.007 127.028 161.076 -155.863 PRESSAVG: 4492800 24.4393 -23.6795 -51.0076 -23.6795 -44.899 -14.3863 -51.0077 -14.3863 -8.88502 GPRESSAVG: 4492800 25.4673 -20.4976 -51.8379 -24.3379 -43.9904 -15.8895 -47.864 -13.2873 -10.8462 TIMING: 4492800 CPU: 14256.1, 0.00312727/step Wall: 14256.1, 0.00312727/step, 0.440598 hours remaining, 239.449219 MB of memory in use. ENERGY: 4492800 3919.7329 20586.0723 14430.8865 237.4878 -203809.0221 2553.7311 0.0000 0.0000 52184.2411 -109896.8705 299.9036 -162081.1115 -109535.2726 299.1808 49.9699 82.3235 759287.2924 -9.7816 -9.7898 PRESSURE: 4493000 -109.843 88.3291 24.5573 88.3286 -274.395 -30.0553 24.5572 -30.0547 -264.709 GPRESSURE: 4493000 -89.3223 37.9024 85.665 121.655 -245.496 -24.7949 6.13494 -67.1603 -217.627 PRESSAVG: 4493000 103.784 -44.9024 27.0557 -44.9025 -66.6239 22.0955 27.0557 22.0955 -18.2469 GPRESSAVG: 4493000 103.105 -47.0819 27.7537 -41.9923 -67.3958 23.2393 24.2917 21.1279 -16.933 TIMING: 4493000 CPU: 14256.7, 0.00313274/step Wall: 14256.7, 0.00313274/step, 0.441194 hours remaining, 239.449219 MB of memory in use. ENERGY: 4493000 3995.3017 20556.2145 14468.5899 258.9268 -203797.0667 2794.1207 0.0000 0.0000 51833.7407 -109890.1724 297.8892 -161723.9132 -109520.5471 298.7737 -216.3157 -184.1484 761398.1456 6.3043 6.2587 PRESSURE: 4493200 153.945 -162.168 -99.539 -162.168 -313.918 -107.045 -99.5391 -107.045 -266.919 GPRESSURE: 4493200 205.851 -280.166 -5.13882 7.20574 -313.947 -53.1886 80.7524 -124.17 -229.796 PRESSAVG: 4493200 -33.3688 -41.8366 -21.4987 -41.8365 -45.2028 -15.3303 -21.4987 -15.3303 -2.76192 GPRESSAVG: 4493200 -32.6321 -42.2124 -20.1469 -42.3569 -44.555 -14.2086 -19.9031 -16.4241 -4.3932 TIMING: 4493200 CPU: 14257.4, 0.00313262/step Wall: 14257.4, 0.00313262/step, 0.441003 hours remaining, 239.449219 MB of memory in use. ENERGY: 4493200 3983.5928 20556.6548 14511.5150 255.8154 -203324.5861 2470.5742 0.0000 0.0000 51869.9326 -109676.5012 298.0972 -161546.4338 -109305.2182 298.8055 -142.2971 -112.6302 762381.9340 -27.1112 -27.1934 PRESSURE: 4493400 234.69 -167.139 -63.6397 -167.14 106.999 55.524 -63.6387 55.5242 -95.7524 GPRESSURE: 4493400 201.138 -61.7308 -74.8868 -157.222 190.171 14.5218 -163.21 170.204 -61.8127 PRESSAVG: 4493400 24.1914 -37.6242 -4.93067 -37.6242 7.31388 -9.53571 -4.93077 -9.53572 -21.4529 GPRESSAVG: 4493400 24.2505 -36.0502 -5.36368 -36.7556 6.48712 -10.914 -7.03454 -7.77308 -20.4419 TIMING: 4493400 CPU: 14258, 0.00314722/step Wall: 14258, 0.00314722/step, 0.442884 hours remaining, 239.449219 MB of memory in use. ENERGY: 4493400 3949.1508 20580.7743 14496.2491 232.8324 -203380.3271 2500.0208 0.0000 0.0000 52120.8128 -109500.4869 299.5390 -161621.2997 -109135.1386 299.2526 81.9788 109.8324 759532.6088 3.3508 3.4319 PRESSURE: 4493600 36.5633 -114.6 -184.407 -114.599 -248.73 -33.8032 -184.406 -33.8035 125.278 GPRESSURE: 4493600 27.3377 35.938 -107.471 -97.9339 -192.93 33.3854 -235.638 34.6412 185.865 PRESSAVG: 4493600 -4.11455 -39.6816 -2.60822 -39.6816 2.30618 43.931 -2.60818 43.9309 1.37175 GPRESSAVG: 4493600 -4.76712 -37.1559 -3.5515 -42.5029 4.35581 45.0683 -2.19244 43.9796 0.174164 TIMING: 4493600 CPU: 14258.6, 0.00314015/step Wall: 14258.6, 0.00314014/step, 0.441714 hours remaining, 239.449219 MB of memory in use. ENERGY: 4493600 3982.6863 20545.4145 14460.6605 232.2587 -203757.1583 2709.3238 0.0000 0.0000 52257.2981 -109569.5163 300.3234 -161826.8145 -109197.4221 299.2388 -28.9631 6.7577 761162.9817 -0.1455 -0.0790 PRESSURE: 4493800 -202.921 92.0024 92.7004 92.003 -405.157 35.4418 92.701 35.4429 -166.104 GPRESSURE: 4493800 -185.407 73.8843 41.7262 53.1261 -334.599 15.0235 72.2258 -9.22959 -183.264 PRESSAVG: 4493800 33.8215 -12.9061 8.8153 -12.9061 -45.5986 4.57071 8.81534 4.57068 -0.872061 GPRESSAVG: 4493800 33.2095 -16.345 9.11825 -9.8469 -45.8391 4.44343 9.90634 3.21821 -0.464603 TIMING: 4493800 CPU: 14259.2, 0.00311309/step Wall: 14259.2, 0.00311309/step, 0.437736 hours remaining, 239.449219 MB of memory in use. ENERGY: 4493800 4024.1528 20636.3326 14458.7159 257.6142 -203485.6034 2466.3290 0.0000 0.0000 52088.2213 -109554.2375 299.3517 -161642.4588 -109187.0689 299.2385 -258.0607 -234.4232 762378.8809 -4.2164 -4.3647 PRESSURE: 4494000 27.5469 104.777 38.2377 104.778 -44.3216 -2.31299 38.2371 -2.31244 -228.691 GPRESSURE: 4494000 6.37725 43.2654 2.81828 50.297 26.1048 86.4768 10.7139 -92.1515 -215.285 PRESSAVG: 4494000 -4.42196 -20.2863 29.9204 -20.2862 -22.6575 -25.4058 29.9204 -25.4058 -1.10093 GPRESSAVG: 4494000 -4.99498 -22.2336 30.0684 -20.6803 -22.5279 -26.6875 28.4841 -26.295 -0.774582 TIMING: 4494000 CPU: 14259.9, 0.00312983/step Wall: 14259.9, 0.00312983/step, 0.439915 hours remaining, 239.449219 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: 4494000 4120.6172 20713.9295 14528.9166 237.1523 -203619.1439 2637.2986 0.0000 0.0000 51951.2884 -109429.9412 298.5648 -161381.2296 -109067.9008 299.3609 -81.8217 -60.9343 762538.3991 -9.3935 -9.4325 PRESSURE: 4494200 -79.5448 31.306 3.49796 31.3059 18.4033 -46.9504 3.49834 -46.9518 -98.6088 GPRESSURE: 4494200 -63.0662 -40.5308 45.1588 45.6941 -15.169 -116.735 16.3244 136.927 -15.8379 PRESSAVG: 4494200 31.2938 -22.2853 18.6451 -22.2854 -27.1894 68.3859 18.6451 68.3859 -14.2233 GPRESSAVG: 4494200 31.7226 -19.6939 19.2298 -22.9101 -27.2578 68.4489 19.7547 72.1256 -14.626 TIMING: 4494200 CPU: 14260.5, 0.00312682/step Wall: 14260.5, 0.00312682/step, 0.439318 hours remaining, 239.449219 MB of memory in use. ENERGY: 4494200 4032.0425 20624.6253 14567.8533 258.9744 -203856.9552 2737.3270 0.0000 0.0000 52122.8099 -109513.3228 299.5505 -161636.1327 -109160.3223 299.6169 -53.2501 -31.3577 760940.2577 -3.3729 -3.3871 PRESSURE: 4494400 -57.6825 215.564 111.451 215.564 -156.757 140.319 111.452 140.319 63.8454 GPRESSURE: 4494400 -65.788 243.344 166.257 178.31 -55.284 200.424 122.893 43.5143 57.1716 PRESSAVG: 4494400 11.9989 27.64 -35.7732 27.64 13.7346 44.4776 -35.7732 44.4776 3.87722 GPRESSAVG: 4494400 11.6622 28.292 -36.3987 26.2516 13.4551 44.6321 -37.3249 44.0264 4.3992 TIMING: 4494400 CPU: 14261.1, 0.00312704/step Wall: 14261.1, 0.00312704/step, 0.439176 hours remaining, 239.449219 MB of memory in use. ENERGY: 4494400 4001.6364 20481.2570 14461.2262 261.1310 -203412.3356 2486.9266 0.0000 0.0000 51971.1815 -109748.9768 298.6791 -161720.1583 -109390.6517 299.5335 -50.1982 -21.3001 760594.5051 9.8702 9.8389 PRESSURE: 4494600 -105.862 3.95615 -86.0944 3.95603 -258.792 -42.0432 -86.0943 -42.044 -427.557 GPRESSURE: 4494600 -81.0663 -29.9604 -146.511 3.32252 -284.305 -111.634 -5.50946 -15.8465 -359.415 PRESSAVG: 4494600 6.2843 15.6894 -29.7086 15.6894 -15.4522 -10.051 -29.7087 -10.0511 3.23219 GPRESSAVG: 4494600 6.78549 15.7009 -29.0093 15.9259 -16.9376 -9.63172 -26.7834 -11.5375 3.8299 TIMING: 4494600 CPU: 14261.8, 0.00315129/step Wall: 14261.8, 0.00315129/step, 0.442406 hours remaining, 239.449219 MB of memory in use. ENERGY: 4494600 4029.1508 20629.9104 14526.0878 236.2211 -203359.0862 2265.5753 0.0000 0.0000 52014.9805 -109657.1603 298.9308 -161672.1408 -109293.9294 298.6971 -264.0700 -241.5956 760131.6137 -1.9786 -2.1074 PRESSURE: 4494800 -442.673 -52.3267 -115.85 -52.3272 -67.0925 27.3722 -115.849 27.3714 -127.632 GPRESSURE: 4494800 -402.538 -34.8435 -216.855 -55.6072 -25.2238 -3.43861 -36.8569 65.4325 -114.398 PRESSAVG: 4494800 -51.6949 -13.9132 -14.9716 -13.9131 38.4409 -13.6022 -14.9716 -13.6022 -21.0722 GPRESSAVG: 4494800 -51.4633 -14.8972 -16.1122 -14.273 39.5767 -14.081 -16.941 -12.4214 -22.4095 TIMING: 4494800 CPU: 14262.4, 0.00312335/step Wall: 14262.4, 0.00312335/step, 0.43831 hours remaining, 239.449219 MB of memory in use. ENERGY: 4494800 4015.1800 20481.3868 14498.5627 245.9521 -203418.2003 2562.8328 0.0000 0.0000 52107.1346 -109507.1514 299.4604 -161614.2859 -109139.9517 299.4276 -212.4659 -180.7199 762628.0519 -11.4421 -11.4321 PRESSURE: 4495000 478.591 -16.4519 92.9171 -16.4518 -127.227 -14.6461 92.9172 -14.645 105.703 GPRESSURE: 4495000 432.351 48.8325 143.899 -12.6322 -63.7075 -62.0601 58.8139 92.2334 192.992 PRESSAVG: 4495000 1.84452 0.734919 14.4058 0.734971 21.896 9.39505 14.4059 9.39512 -3.20716 GPRESSAVG: 4495000 0.214724 0.840469 15.9702 0.742661 22.4758 10.3671 15.2363 9.53025 -2.13536 TIMING: 4495000 CPU: 14263, 0.00312965/step Wall: 14263, 0.00312965/step, 0.43902 hours remaining, 239.449219 MB of memory in use. ENERGY: 4495000 3944.8742 20481.3146 14568.8785 260.0970 -203355.0315 2515.9914 0.0000 0.0000 52033.9294 -109549.9464 299.0397 -161583.8758 -109201.4537 299.8425 152.3555 187.2118 761369.8865 6.8444 6.8517 PRESSURE: 4495200 193.858 -206.424 30.0606 -206.424 -197.875 44.8136 30.0608 44.8124 80.7986 GPRESSURE: 4495200 244.081 -182.796 11.3327 -333.695 -154.731 65.2829 129.062 68.6486 91.4665 PRESSAVG: 4495200 11.7286 -32.9969 52.54 -32.997 -31.4782 -26.4825 52.54 -26.4825 17.3437 GPRESSAVG: 4495200 12.6639 -34.7122 50.7499 -31.8829 -32.5518 -27.4614 53.0342 -26.3235 17.6941 TIMING: 4495200 CPU: 14263.6, 0.00313661/step Wall: 14263.6, 0.00313661/step, 0.439822 hours remaining, 239.449219 MB of memory in use. ENERGY: 4495200 3921.5399 20589.9054 14462.4358 229.6054 -203454.5708 2570.7296 0.0000 0.0000 52004.0355 -109676.3191 298.8679 -161680.3546 -109317.5404 298.7890 25.5939 60.2720 761126.4519 -0.8020 -0.7313 PRESSURE: 4495400 20.9517 -192.303 -282.34 -192.303 -195.316 63.3904 -282.339 63.3913 -388.991 GPRESSURE: 4495400 66.586 -160.63 -239.496 -237.68 -210.203 -0.974077 -190.753 118.71 -340.288 PRESSAVG: 4495400 23.259 -10.1588 13.6502 -10.1589 -3.11474 -16.2186 13.6502 -16.2185 -17.342 GPRESSAVG: 4495400 23.1121 -7.51792 13.4314 -11.1196 -2.15224 -15.3562 14.6303 -18.2084 -17.7456 TIMING: 4495400 CPU: 14264.3, 0.00314341/step Wall: 14264.3, 0.00314341/step, 0.440602 hours remaining, 239.449219 MB of memory in use. ENERGY: 4495400 4073.2189 20600.0697 14463.5096 248.9609 -203635.4698 2697.3191 0.0000 0.0000 51970.6008 -109581.7907 298.6758 -161552.3915 -109227.5736 299.1538 -187.7852 -161.3016 762357.9221 0.9341 1.0714 PRESSURE: 4495600 74.5565 -67.2169 332.105 -67.2181 -12.3178 375.798 332.105 375.796 134.184 GPRESSURE: 4495600 147.208 -13.3769 302.082 -106.749 -46.2214 414.973 329.285 252.559 179.66 PRESSAVG: 4495600 31.6554 -4.3431 -42.7171 -4.34311 -11.1235 -17.4207 -42.7171 -17.4208 3.79424 GPRESSAVG: 4495600 31.569 -4.12684 -41.6909 -3.34795 -10.6904 -17.2069 -44.4092 -17.8626 3.9426 TIMING: 4495600 CPU: 14264.9, 0.00312933/step Wall: 14264.9, 0.00312933/step, 0.438454 hours remaining, 239.449219 MB of memory in use. ENERGY: 4495600 4047.0167 20334.6813 14584.0998 253.4322 -203723.5925 2567.9655 0.0000 0.0000 52146.7356 -109789.6615 299.6880 -161936.3971 -109415.5608 299.3543 65.4741 93.5489 759772.8036 8.1087 8.2737 PRESSURE: 4495800 -25.9097 99.8204 27.1139 99.8208 -101.764 -194.057 27.1145 -194.058 15.54 GPRESSURE: 4495800 -33.978 49.414 -66.7004 131.771 38.7125 -219.49 86.4539 -151.635 -23.0054 PRESSAVG: 4495800 15.7672 -0.363093 29.9779 -0.363213 3.11155 46.8949 29.9779 46.895 -4.98505 GPRESSAVG: 4495800 17.8084 -3.16957 29.6568 -0.268105 1.8322 46.0956 29.4902 48.1869 -5.68604 TIMING: 4495800 CPU: 14265.5, 0.00313499/step Wall: 14265.5, 0.00313499/step, 0.439072 hours remaining, 239.449219 MB of memory in use. ENERGY: 4495800 3933.4725 20552.9725 14468.8188 249.9415 -203546.6567 2514.7846 0.0000 0.0000 52109.8371 -109716.8295 299.4760 -161826.6666 -109351.8385 298.6738 -37.3779 -6.0903 760286.7888 4.6312 4.6515 PRESSURE: 4496000 220.628 65.6294 5.73663 65.6293 -122.856 191.754 5.73736 191.755 60.3033 GPRESSURE: 4496000 124.579 88.3565 47.6211 94.3724 -39.0054 237.582 -21.6199 70.2989 153.262 PRESSAVG: 4496000 -15.9467 8.00573 -4.42916 8.00577 2.66025 7.25795 -4.42914 7.25794 29.1357 GPRESSAVG: 4496000 -16.5192 8.61626 -5.59107 10.4962 2.74018 7.93318 -3.32256 6.69483 29.2875 TIMING: 4496000 CPU: 14266.1, 0.00314892/step Wall: 14266.1, 0.00314892/step, 0.440849 hours remaining, 239.449219 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: 4496000 3946.4924 20340.9045 14446.2573 276.8992 -203852.3528 2839.6984 0.0000 0.0000 52240.8916 -109761.2094 300.2291 -162002.1010 -109400.2987 298.4859 52.6916 79.6116 760814.1187 5.2831 5.1695 PRESSURE: 4496200 -221.774 -155.466 -66.9535 -155.466 -171.982 160.926 -66.9542 160.925 10.6286 GPRESSURE: 4496200 -69.8037 -184.481 -76.3423 -74.5274 -198.94 212.151 -94.4581 219.145 -37.9534 PRESSAVG: 4496200 15.3485 -59.1942 -50.9202 -59.1943 1.94039 31.567 -50.9202 31.567 3.88487 GPRESSAVG: 4496200 15.1508 -58.5298 -49.1807 -60.792 1.78083 31.7305 -51.5156 31.572 4.04302 TIMING: 4496200 CPU: 14266.8, 0.00316316/step Wall: 14266.8, 0.00316315/step, 0.442666 hours remaining, 239.449219 MB of memory in use. ENERGY: 4496200 4031.8417 20441.3721 14523.2280 249.9986 -203205.4908 2307.2698 0.0000 0.0000 52011.4043 -109640.3763 298.9103 -161651.7806 -109270.2579 298.6245 -127.7089 -102.2323 762802.7024 7.0579 6.9915 LDB: ============= START OF LOAD BALANCING ============== 14279.2 LDB: ============== END OF LOAD BALANCING =============== 14279.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14279.2 LDB: ============= START OF LOAD BALANCING ============== 14279.5 LDB: Largest compute 7078 load 0.033525 is 17.2% of average load 0.195434 LDB: Average compute 0.004365 is 2.2% of average load 0.195434 LDB: TIME 14279.5 LOAD: AVG 0.195434 MAX 0.213621 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.867 MB LDB: TIME 14279.5 LOAD: AVG 0.195434 MAX 0.213621 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.906 MB LDB: TIME 14279.5 LOAD: AVG 0.195434 MAX 0.213621 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.906 MB LDB: ============== END OF LOAD BALANCING =============== 14279.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14279.6 PRESSURE: 4496400 335.184 -103.85 79.9449 -103.85 -146.348 -296.336 79.9457 -296.335 -88.0492 GPRESSURE: 4496400 284.876 12.9361 95.7317 -169.28 -60.3622 -263.949 -12.0753 -234.102 -37.3657 PRESSAVG: 4496400 -27.6891 -74.3497 -55.9008 -74.3496 5.78801 24.278 -55.9008 24.278 -4.41267 GPRESSAVG: 4496400 -29.9998 -72.2479 -56.719 -76.7769 7.57332 22.8334 -55.732 25.9198 -4.0414 TIMING: 4496400 CPU: 14267.4, 0.00321101/step Wall: 14267.4, 0.00321101/step, 0.449185 hours remaining, 242.089844 MB of memory in use. ENERGY: 4496400 4029.4560 20489.6965 14556.6950 242.2362 -203585.3212 2628.0177 0.0000 0.0000 51905.2096 -109734.0103 298.3000 -161639.2199 -109367.7359 298.7296 33.5957 62.3827 761194.3270 -8.7713 -8.8226 PRESSURE: 4496600 512.454 -166.482 15.6559 -166.482 -131.114 53.8396 15.6555 53.8387 113.487 GPRESSURE: 4496600 534.697 -174.094 -21.3552 -86.7335 -32.6893 19.2728 89.2668 -46.7084 75.5837 PRESSAVG: 4496600 15.3615 -67.0049 40.1986 -67.005 -12.2388 21.1053 40.1986 21.1052 -13.247 GPRESSAVG: 4496600 16.9807 -69.1481 39.148 -64.4911 -13.4511 20.8683 41.0652 20.0962 -13.5537 TIMING: 4496600 CPU: 14268.1, 0.00318547/step Wall: 14268.1, 0.00318547/step, 0.445435 hours remaining, 242.089844 MB of memory in use. ENERGY: 4496600 3954.1715 20402.5904 14567.5230 240.8888 -203702.0739 2711.0525 0.0000 0.0000 52219.6681 -109606.1796 300.1072 -161825.8477 -109242.5478 298.5952 164.9422 192.5304 762274.7876 -3.3748 -3.3414 PRESSURE: 4496800 -99.8895 74.6017 184.791 74.6012 442.061 -160.029 184.791 -160.028 -72.6911 GPRESSURE: 4496800 10.081 85.2792 158.754 117.514 373.075 -102.686 43.9454 -196.333 -48.679 PRESSAVG: 4496800 50.4321 -20.2838 39.5266 -20.2838 -15.8551 -2.06625 39.5267 -2.06632 -7.72865 GPRESSAVG: 4496800 49.2209 -19.5533 41.9342 -19.6968 -15.5224 -1.15334 38.5614 -4.33209 -7.12724 TIMING: 4496800 CPU: 14268.7, 0.00316091/step Wall: 14268.7, 0.00316091/step, 0.441825 hours remaining, 242.089844 MB of memory in use. ENERGY: 4496800 3989.8869 20477.5826 14489.6633 250.7162 -203346.8914 2486.7503 0.0000 0.0000 52063.8448 -109588.4472 299.2116 -161652.2921 -109230.5402 299.1453 89.8266 111.4924 761704.1673 8.9494 8.8571 PRESSURE: 4497000 81.112 172.392 136.851 172.392 -73.4624 376.683 136.851 376.684 -269.339 GPRESSURE: 4497000 203.464 194.988 124.782 288.448 -94.0054 415.981 106.274 289.447 -298.448 PRESSAVG: 4497000 49.1217 29.5154 -17.5857 29.5153 -41.4568 -17.3081 -17.5858 -17.3082 32.1381 GPRESSAVG: 4497000 50.861 29.9371 -19.1532 28.6146 -42.7301 -17.8483 -17.1283 -17.1812 31.1787 TIMING: 4497000 CPU: 14269.3, 0.00314103/step Wall: 14269.3, 0.00314103/step, 0.438872 hours remaining, 242.089844 MB of memory in use. ENERGY: 4497000 4089.8464 20575.6022 14496.2689 242.2282 -203675.9289 2761.4350 0.0000 0.0000 51801.1622 -109709.3859 297.7020 -161510.5481 -109355.1312 298.8603 -87.2296 -62.9964 762132.4783 13.2677 13.1032 PRESSURE: 4497200 104.279 157.301 82.3404 157.301 -185.025 -80.5919 82.3394 -80.5926 -0.724706 GPRESSURE: 4497200 106.855 187.398 3.01617 139.27 -78.4544 68.775 -12.2071 -82.5221 -16.615 PRESSAVG: 4497200 19.2673 22.8258 43.8592 22.8258 -50.8109 -49.0739 43.8592 -49.0739 18.1283 GPRESSAVG: 4497200 18.3027 21.0497 41.9625 23.5878 -50.5904 -46.7467 43.764 -46.4398 19.1751 TIMING: 4497200 CPU: 14269.9, 0.00313041/step Wall: 14269.9, 0.00313041/step, 0.437214 hours remaining, 242.089844 MB of memory in use. ENERGY: 4497200 3947.7585 20776.4130 14433.4278 250.6594 -203681.0106 2542.1987 0.0000 0.0000 52163.9421 -109566.6111 299.7869 -161730.5532 -109201.7768 298.8713 -27.1567 3.9284 761383.7843 -4.4718 -4.3709 PRESSURE: 4497400 99.5855 -204.432 -84.0377 -204.432 -287.286 26.6512 -84.0379 26.6505 -142.335 GPRESSURE: 4497400 99.0962 -100.275 -120.563 -250.359 -258.154 -70.3424 -169.163 -182.623 -76.2796 PRESSAVG: 4497400 0.107562 -49.7554 34.1408 -49.7554 -20.5605 16.7922 34.1408 16.7922 -6.53891 GPRESSAVG: 4497400 0.779389 -49.3825 35.7865 -50.9265 -21.1626 13.7293 32.4908 15.3086 -6.9927 TIMING: 4497400 CPU: 14270.6, 0.00313489/step Wall: 14270.6, 0.00313489/step, 0.437666 hours remaining, 242.089844 MB of memory in use. ENERGY: 4497400 3964.6624 20668.3314 14484.3639 247.7775 -203342.5296 2437.0761 0.0000 0.0000 52186.1502 -109354.1681 299.9145 -161540.3183 -108992.5598 299.8484 -110.0119 -78.4457 762456.9746 -8.9973 -9.1253 PRESSURE: 4497600 81.7679 -18.5217 105.469 -18.5218 -97.68 215.844 105.469 215.845 301.412 GPRESSURE: 4497600 81.8223 -47.8272 127.511 -37.5439 -3.32852 227.233 158.341 112.597 294.409 PRESSAVG: 4497600 12.5584 -24.2811 -4.05899 -24.2812 7.81059 -1.43781 -4.059 -1.43783 27.1397 GPRESSAVG: 4497600 11.9909 -23.6665 -3.27143 -24.8111 7.82325 -2.08885 -3.06282 -1.32886 27.897 TIMING: 4497600 CPU: 14271.2, 0.00313342/step Wall: 14271.2, 0.00313342/step, 0.437286 hours remaining, 242.089844 MB of memory in use. ENERGY: 4497600 3997.4221 20553.1518 14523.2106 268.8473 -203533.9506 2517.7864 0.0000 0.0000 52112.5808 -109560.9516 299.4917 -161673.5324 -109196.3700 299.7544 95.1665 124.3009 760656.8987 15.8362 15.9037 PRESSURE: 4497800 -92.2951 100.931 67.8839 100.932 394.579 -242.306 67.8838 -242.305 368.649 GPRESSURE: 4497800 -79.0614 118.724 93.0273 161.474 447.423 -149.311 110.436 -157.585 378.378 PRESSAVG: 4497800 -35.6345 -76.8621 -27.4948 -76.862 57.1426 -20.6051 -27.4948 -20.6051 -19.5887 GPRESSAVG: 4497800 -36.0902 -77.1499 -29.1084 -77.1167 57.1128 -19.2639 -27.4765 -22.4839 -19.2246 TIMING: 4497800 CPU: 14271.8, 0.00315063/step Wall: 14271.8, 0.00315063/step, 0.439512 hours remaining, 242.089844 MB of memory in use. ENERGY: 4497800 4016.5687 20856.5969 14564.6296 234.9833 -203795.2275 2936.0619 0.0000 0.0000 51893.7897 -109292.5974 298.2343 -161186.3871 -108942.3282 299.5213 223.6445 248.9131 760514.9205 0.6398 0.5993 PRESSURE: 4498000 237.061 18.9042 118.887 18.9043 160.152 146.325 118.886 146.324 194.888 GPRESSURE: 4498000 237.701 -53.6082 -40.0704 0.425932 264.731 231.61 197.368 141.254 165.789 PRESSAVG: 4498000 -48.9764 -62.4482 -41.7158 -62.4482 14.2481 -8.81738 -41.7158 -8.81745 4.88517 GPRESSAVG: 4498000 -48.4543 -62.0865 -39.7326 -61.2244 13.6341 -8.3759 -43.202 -5.11022 5.28643 TIMING: 4498000 CPU: 14272.5, 0.00316307/step Wall: 14272.5, 0.00316307/step, 0.441073 hours remaining, 242.089844 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: 4498000 3928.9870 20645.6957 14551.4985 243.2187 -203434.6109 2520.6801 0.0000 0.0000 52377.7078 -109166.8231 301.0154 -161544.5309 -108800.6195 299.9438 197.3668 222.7402 759918.2956 -9.9477 -9.8446 PRESSURE: 4498200 -164.595 -79.2833 82.5947 -79.2834 47.13 -148.502 82.5947 -148.502 -229.173 GPRESSURE: 4498200 -121.935 -67.9944 -28.5438 -63.0748 56.3401 -159.268 103.362 -141.994 -191.123 PRESSAVG: 4498200 -50.8689 -36.0129 -15.8344 -36.0128 43.5395 15.4003 -15.8343 15.4002 17.3217 GPRESSAVG: 4498200 -50.4554 -38.2097 -17.4881 -36.683 43.6549 13.9016 -15.0762 13.292 17.3844 TIMING: 4498200 CPU: 14273.1, 0.00316639/step Wall: 14273.1, 0.00316639/step, 0.44136 hours remaining, 242.089844 MB of memory in use. ENERGY: 4498200 4016.8172 20513.5412 14501.2101 241.0992 -203641.2636 2661.3697 0.0000 0.0000 52556.2569 -109150.9692 302.0415 -161707.2261 -108777.8812 300.4107 -115.5462 -85.5726 760782.6472 3.3308 3.5280 PRESSURE: 4498400 -8.15147 -43.2327 -215.914 -43.2324 322.646 -59.0369 -215.913 -59.0367 166.822 GPRESSURE: 4498400 44.3923 10.9404 -193.891 -45.7291 346.42 -160.004 -58.1007 -88.869 167.738 PRESSAVG: 4498400 -1.95256 -22.5816 -5.50945 -22.5815 21.4088 -16.6086 -5.50941 -16.6087 0.68505 GPRESSAVG: 4498400 -2.22296 -21.5831 -6.08268 -22.3512 23.0474 -15.9032 -3.61877 -15.7523 -0.36656 TIMING: 4498400 CPU: 14273.7, 0.00313782/step Wall: 14273.7, 0.00313782/step, 0.437203 hours remaining, 242.089844 MB of memory in use. ENERGY: 4498400 3965.9893 20725.1510 14483.8223 228.6311 -203834.8931 2877.0839 0.0000 0.0000 52323.6326 -109230.5829 300.7046 -161554.2155 -108862.6916 300.2863 160.4390 186.1834 760733.4360 6.7138 6.8193 PRESSURE: 4498600 -281.234 10.2837 3.13399 10.2833 -43.5088 -43.2156 3.13362 -43.2161 -93.5159 GPRESSURE: 4498600 -261.613 74.5354 -55.1006 20.6654 25.1796 14.5411 1.30668 -19.4459 -86.8342 PRESSAVG: 4498600 -46.3363 -43.7671 -40.6792 -43.7671 48.0102 -45.1434 -40.6791 -45.1435 25.1102 GPRESSAVG: 4498600 -47.4688 -41.567 -38.4461 -45.5569 47.6337 -45.0429 -42.2443 -43.1908 26.7098 TIMING: 4498600 CPU: 14274.3, 0.0031343/step Wall: 14274.3, 0.0031343/step, 0.436539 hours remaining, 242.089844 MB of memory in use. ENERGY: 4498600 4001.2836 20583.9897 14594.7849 257.3846 -203331.3260 2573.4853 0.0000 0.0000 52231.9451 -109088.4527 300.1777 -161320.3978 -108710.0640 300.3580 -139.4195 -107.7559 761732.5956 8.9280 8.9583 PRESSURE: 4498800 3.46893 57.3381 -174.092 57.3383 -21.232 188.46 -174.092 188.46 96.2764 GPRESSURE: 4498800 60.2919 -23.8872 -180.778 66.0883 -20.3673 201.849 -58.4674 104.82 127.6 PRESSAVG: 4498800 17.501 22.6448 24.263 22.6448 28.4865 -57.2518 24.263 -57.2518 -15.4704 GPRESSAVG: 4498800 18.1171 20.7709 23.3154 23.3366 28.9882 -57.6677 24.8725 -60.1004 -16.3605 TIMING: 4498800 CPU: 14275, 0.00314561/step Wall: 14275, 0.00314561/step, 0.437938 hours remaining, 242.089844 MB of memory in use. ENERGY: 4498800 4092.1857 20513.9160 14436.5028 239.1116 -203459.2134 2588.0573 0.0000 0.0000 52580.3269 -109009.1130 302.1799 -161589.4400 -108641.3971 300.1338 26.1711 55.8414 760505.2915 10.1724 10.2483 PRESSURE: 4499000 -177.145 109.399 -131.349 109.399 151.547 20.3973 -131.35 20.3964 -176.279 GPRESSURE: 4499000 -116.998 164.352 -209.563 88.1516 110.123 -21.5514 -18.2776 177.871 -100.515 PRESSAVG: 4499000 -8.94315 -24.412 -21.1262 -24.4119 46.4921 -9.4301 -21.1262 -9.43006 -2.71703 GPRESSAVG: 4499000 -9.69354 -21.5666 -20.7919 -24.6406 47.0914 -8.72558 -21.3504 -7.86242 -2.19439 TIMING: 4499000 CPU: 14275.6, 0.00315828/step Wall: 14275.6, 0.00315828/step, 0.439528 hours remaining, 242.089844 MB of memory in use. ENERGY: 4499000 4032.9794 20530.0254 14522.3664 246.7296 -203046.7042 2461.7446 0.0000 0.0000 52232.5608 -109020.2980 300.1812 -161252.8588 -108651.7097 300.6532 -67.2922 -35.7965 760312.1332 11.6106 11.7345 PRESSURE: 4499200 -143.521 -84.8129 -111.842 -84.8125 -323.972 143.98 -111.843 143.979 -132.33 GPRESSURE: 4499200 -188.762 -68.9957 -121.68 -99.995 -206.53 185.5 -88.1207 68.3797 -106.965 PRESSAVG: 4499200 -38.5343 -32.0548 -27.4333 -32.0547 43.5596 -52.9954 -27.4332 -52.9953 11.2168 GPRESSAVG: 4499200 -38.25 -32.2602 -29.2457 -32.4809 42.9193 -53.2911 -27.3975 -54.6564 11.3324 TIMING: 4499200 CPU: 14276.2, 0.0031513/step Wall: 14276.2, 0.0031513/step, 0.438381 hours remaining, 242.089844 MB of memory in use. ENERGY: 4499200 4039.2277 20694.3749 14532.8072 235.4199 -203061.6443 2319.4776 0.0000 0.0000 52314.6058 -108925.7311 300.6528 -161240.3369 -108562.1380 300.9287 -199.9411 -167.4191 761576.7981 5.4140 5.3339 PRESSURE: 4499400 -365.452 -221.254 -129.419 -221.254 -196.875 -41.0336 -129.418 -41.0344 -569.153 GPRESSURE: 4499400 -361.485 -178.138 -137.874 -289.175 -196.73 -8.43709 -65.4462 -50.4855 -488.816 PRESSAVG: 4499400 -30.9391 1.20476 24.3246 1.2048 30.8714 -0.00760632 24.3247 -0.00769344 5.46207 GPRESSAVG: 4499400 -32.0591 -1.67078 24.7704 2.25137 31.4345 -0.305982 23.3456 -0.532197 5.85285 TIMING: 4499400 CPU: 14276.9, 0.00314706/step Wall: 14276.9, 0.00314706/step, 0.437617 hours remaining, 242.089844 MB of memory in use. ENERGY: 4499400 4091.8094 20597.3504 14583.9088 263.2158 -203047.9888 2294.4072 0.0000 0.0000 52169.5848 -109047.7124 299.8193 -161217.2972 -108683.8391 300.8242 -377.1599 -349.0102 760313.3961 1.7981 1.7427 PRESSURE: 4499600 -143.258 -138.762 15.8282 -138.762 -262.181 -27.9373 15.8282 -27.9374 -236.007 GPRESSURE: 4499600 -41.4593 3.93904 -23.4625 -47.5332 -216.862 -77.2932 162.183 -80.6292 -282.865 PRESSAVG: 4499600 -26.2501 -36.1687 2.89261 -36.1687 -15.2513 -1.63551 2.89263 -1.63559 18.1466 GPRESSAVG: 4499600 -25.944 -34.4303 3.8707 -38.2867 -15.0473 -1.05672 3.48045 0.190965 17.2847 TIMING: 4499600 CPU: 14277.5, 0.0031615/step Wall: 14277.5, 0.0031615/step, 0.439449 hours remaining, 242.089844 MB of memory in use. ENERGY: 4499600 4126.1770 20685.3682 14464.0711 251.8101 -203127.2738 2365.0043 0.0000 0.0000 51966.6321 -109268.2109 298.6529 -161234.8431 -108920.2036 300.4080 -213.8155 -180.3953 760440.1581 -7.7850 -7.9022 PRESSURE: 4499800 465.903 185.738 203.034 185.737 326.036 206.157 203.034 206.158 -110.465 GPRESSURE: 4499800 492.475 74.243 234.516 200.634 355.078 175.889 211.317 119.234 -78.7128 PRESSAVG: 4499800 -13.8636 33.6516 4.28188 33.6517 35.2619 2.28602 4.28187 2.28595 18.8953 GPRESSAVG: 4499800 -13.7222 30.6805 5.38711 37.4277 35.1899 2.76452 4.66166 0.83224 18.835 TIMING: 4499800 CPU: 14278.1, 0.00315086/step Wall: 14278.1, 0.00315086/step, 0.437794 hours remaining, 242.089844 MB of memory in use. ENERGY: 4499800 4021.4436 20590.7360 14520.7694 240.8781 -203349.7143 2809.3728 0.0000 0.0000 52047.3373 -109119.1771 299.1168 -161166.5143 -108748.0442 300.2143 227.1580 256.2799 760767.6836 13.4312 13.4342 WRITING COORDINATES TO DCD FILE MD.2.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 18.1966 -76.2066 141.051 -76.2073 143.328 6.09904 141.052 6.0985 177.118 GPRESSURE: 4500000 23.0297 -23.4243 239.528 -41.1115 121.686 1.86177 205.689 59.8567 280.672 PRESSAVG: 4500000 5.37491 -18.0079 -0.801886 -18.008 15.7697 11.081 -0.801902 11.081 4.56999 GPRESSAVG: 4500000 5.61018 -16.1641 -0.279955 -18.3794 16.364 11.1948 -1.44758 10.6552 3.74032 TIMING: 4500000 CPU: 14278.8, 0.00327548/step Wall: 14278.8, 0.00327548/step, 0.454927 hours remaining, 242.214844 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: 4500000 4008.9205 20566.3591 14543.2410 250.3231 -203404.5300 2640.9866 0.0000 0.0000 52098.4878 -109296.2119 299.4107 -161394.6997 -108927.9227 300.1832 112.8811 141.7960 760831.6456 8.5715 8.5715 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 PRESSURE: 4500200 -569.793 125.922 -62.4333 125.923 8.45212 6.01118 -62.4329 6.01169 99.8798 GPRESSURE: 4500200 -429.669 146.461 -59.755 -46.7828 -44.8974 14.9974 -65.9762 157.707 95.0253 PRESSAVG: 4500200 -17.8401 1.13408 -9.39369 1.13407 48.6694 -52.745 -9.39367 -52.7451 -7.19435 GPRESSAVG: 4500200 -16.8852 0.270221 -12.1375 1.06266 47.7477 -52.5763 -6.77654 -52.0967 -7.30625 TIMING: 4500200 CPU: 14279.4, 0.00317085/step Wall: 14279.4, 0.00317085/step, 0.44022 hours remaining, 242.214844 MB of memory in use. ENERGY: 4500200 4017.6638 20609.5414 14528.4075 256.7220 -203680.2051 2797.0121 0.0000 0.0000 52276.8301 -109194.0281 300.4357 -161470.8582 -108825.1953 300.5006 -153.8202 -126.5138 763403.4595 7.8783 7.8521 LDB: ============= START OF LOAD BALANCING ============== 14291.9 LDB: ============== END OF LOAD BALANCING =============== 14291.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14291.9 LDB: ============= START OF LOAD BALANCING ============== 14292.2 LDB: Largest compute 7078 load 0.035941 is 18.4% of average load 0.195651 LDB: Average compute 0.004370 is 2.2% of average load 0.195651 LDB: TIME 14292.2 LOAD: AVG 0.195651 MAX 0.217429 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.152 MB LDB: TIME 14292.2 LOAD: AVG 0.195651 MAX 0.217429 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.152 MB LDB: TIME 14292.2 LOAD: AVG 0.195651 MAX 0.217429 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.152 MB LDB: ============== END OF LOAD BALANCING =============== 14292.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.2 PRESSURE: 4500400 21.008 -95.855 21.1842 -95.8553 -230.027 -4.096 21.1841 -4.09447 -33.631 GPRESSURE: 4500400 -73.6013 -25.2154 36.0172 -202.184 -77.2952 0.218569 -16.9045 53.604 0.0515556 PRESSAVG: 4500400 -55.7481 -71.3232 -7.4997 -71.3231 3.70538 -50.0701 -7.49973 -50.0701 7.22124 GPRESSAVG: 4500400 -57.3149 -69.9651 -5.70935 -73.7821 4.70165 -53.3925 -10.9391 -48.8522 8.03729 TIMING: 4500400 CPU: 14280.1, 0.00321326/step Wall: 14280.1, 0.00321326/step, 0.445929 hours remaining, 240.605469 MB of memory in use. ENERGY: 4500400 3990.7325 20462.7157 14472.8415 243.6336 -203541.8065 2755.3883 0.0000 0.0000 52283.0493 -109333.4457 300.4714 -161616.4949 -108972.8450 300.1100 -80.8835 -50.2816 763713.2739 -14.9405 -14.8587 PRESSURE: 4500600 55.2353 -59.2476 -206.471 -59.2486 129.392 -221.814 -206.471 -221.814 459.68 GPRESSURE: 4500600 76.8406 -83.6438 -102.819 -3.61804 224.059 -335.266 -227.907 -186.982 422.629 PRESSAVG: 4500600 -38.3075 -26.9253 -26.3719 -26.9253 39.9529 -61.3218 -26.3719 -61.3218 -33.679 GPRESSAVG: 4500600 -37.8197 -27.9333 -26.6964 -25.9894 39.4136 -59.0896 -23.6937 -59.6161 -33.8667 TIMING: 4500600 CPU: 14280.7, 0.00314102/step Wall: 14280.7, 0.00314102/step, 0.435729 hours remaining, 240.605469 MB of memory in use. ENERGY: 4500600 4033.5402 20584.8763 14468.4859 253.9926 -204151.9049 3126.0083 0.0000 0.0000 52355.1767 -109329.8250 300.8859 -161685.0017 -108961.7293 300.0798 214.7692 241.1764 763239.7135 -10.6779 -10.7576 PRESSURE: 4500800 -56.4195 -152.48 -140.028 -152.48 32.1114 25.122 -140.027 25.1218 -427.874 GPRESSURE: 4500800 83.0292 25.8553 -111.534 -206.722 9.52958 -11.316 -153.859 214.717 -445.18 PRESSAVG: 4500800 -30.9039 -15.8313 -43.218 -15.8313 43.5011 -15.3535 -43.2179 -15.3535 11.1815 GPRESSAVG: 4500800 -31.0735 -15.0555 -43.7308 -13.5824 43.0404 -14.0231 -43.5682 -17.3859 11.368 TIMING: 4500800 CPU: 14281.3, 0.00314886/step Wall: 14281.3, 0.00314886/step, 0.436642 hours remaining, 240.605469 MB of memory in use. ENERGY: 4500800 4019.8716 20695.0978 14501.6971 262.2610 -203305.8277 2454.0777 0.0000 0.0000 51763.8213 -109609.0013 297.4874 -161372.8226 -109246.9975 298.9925 -150.7274 -117.5403 761769.5936 7.9262 7.7783 PRESSURE: 4501000 -184.659 212.999 -228.441 212.999 -214.076 382.225 -228.441 382.224 136.565 GPRESSURE: 4501000 -87.2961 146.338 -97.1043 143.033 -171.513 376.468 -176.485 295.191 85.2621 PRESSAVG: 4501000 65.5161 -25.6994 -60.6657 -25.6995 -5.17384 -10.621 -60.6657 -10.6209 7.54656 GPRESSAVG: 4501000 65.343 -25.1488 -60.4753 -28.2858 -5.13393 -10.6178 -61.8912 -12.2007 6.79141 TIMING: 4501000 CPU: 14281.9, 0.00315698/step Wall: 14281.9, 0.00315697/step, 0.437592 hours remaining, 240.605469 MB of memory in use. ENERGY: 4501000 3933.3601 20592.1094 14395.1611 242.2485 -203253.1064 2533.4237 0.0000 0.0000 52186.2348 -109370.5688 299.9150 -161556.8036 -109007.8571 299.5654 -87.3898 -57.8489 761102.7559 22.6296 22.3335 PRESSURE: 4501200 -160.228 -84.7191 -6.13752 -84.7194 93.6547 188.553 -6.1379 188.554 -177.355 GPRESSURE: 4501200 -67.6941 -80.883 3.6699 -159.355 -17.9922 168.595 2.10576 64.2596 -93.5179 PRESSAVG: 4501200 11.234 11.0044 27.6225 11.0044 -12.3571 9.20114 27.6225 9.20116 21.1164 GPRESSAVG: 4501200 11.453 10.0762 26.4576 12.346 -13.5146 7.92551 29.259 10.9288 22.0356 TIMING: 4501200 CPU: 14282.6, 0.00314452/step Wall: 14282.6, 0.00314452/step, 0.435691 hours remaining, 240.605469 MB of memory in use. ENERGY: 4501200 4024.1067 20630.3624 14468.1673 253.7523 -203325.2332 2462.8193 0.0000 0.0000 52115.4143 -109370.6107 299.5080 -161486.0251 -109012.6816 299.4247 -81.3094 -59.7347 760351.2873 6.6645 6.6580 PRESSURE: 4501400 237.868 256.745 150.206 256.745 -235.856 -155.491 150.207 -155.492 93.8631 GPRESSURE: 4501400 220.402 150.324 23.0294 196.862 -162.704 -99.2417 39.6506 -155.096 116.53 PRESSAVG: 4501400 -36.3159 27.4697 40.963 27.4697 16.7641 -12.8747 40.9631 -12.8748 -9.58467 GPRESSAVG: 4501400 -36.708 28.5896 41.2313 27.0189 17.7404 -10.6479 38.6515 -11.8742 -9.90374 TIMING: 4501400 CPU: 14283.2, 0.00315074/step Wall: 14283.2, 0.00315074/step, 0.436377 hours remaining, 240.605469 MB of memory in use. ENERGY: 4501400 4003.5379 20612.9107 14396.3436 249.6733 -203254.2077 2603.5368 0.0000 0.0000 52040.0165 -109348.1890 299.0747 -161388.2055 -108986.5488 299.3276 31.9584 58.0759 761439.2716 -9.7122 -9.6238 PRESSURE: 4501600 -87.5623 -122.442 -134.395 -122.442 -147.656 -29.1571 -134.395 -29.1567 -572.339 GPRESSURE: 4501600 -105.797 -185.716 -157.542 -116.338 -52.7859 29.2924 -1.18814 -38.7988 -564.812 PRESSAVG: 4501600 -59.9687 77.7035 26.4315 77.7034 22.6369 34.8231 26.4316 34.823 12.6504 GPRESSAVG: 4501600 -60.5432 75.4341 28.2504 77.5802 22.6429 35.0284 27.43 32.0161 13.0127 TIMING: 4501600 CPU: 14283.8, 0.00315181/step Wall: 14283.8, 0.00315181/step, 0.436351 hours remaining, 240.605469 MB of memory in use. ENERGY: 4501600 3990.9960 20685.7115 14526.9553 257.4750 -203386.4641 2429.5172 0.0000 0.0000 52190.0526 -109305.7566 299.9369 -161495.8092 -108932.6128 300.0568 -269.1859 -241.1317 762697.5074 -8.2271 -8.2959 PRESSURE: 4501800 -145.977 -159.648 147.419 -159.647 -121.066 253.007 147.419 253.007 -131.846 GPRESSURE: 4501800 -83.1009 -179.855 195.092 -216.626 -172.958 271.904 205.983 156.697 -71.7675 PRESSAVG: 4501800 -0.994363 -35.8701 -47.9039 -35.87 -0.985519 42.3378 -47.9039 42.3378 -24.1425 GPRESSAVG: 4501800 -1.65811 -34.0387 -46.9099 -36.2077 -0.499146 40.9055 -49.2371 44.0736 -23.9937 TIMING: 4501800 CPU: 14284.5, 0.00313987/step Wall: 14284.5, 0.00313987/step, 0.434523 hours remaining, 240.605469 MB of memory in use. ENERGY: 4501800 4037.0761 20485.9423 14476.9556 236.1936 -203493.7264 2601.4579 0.0000 0.0000 52319.3484 -109336.7525 300.6800 -161656.1010 -108961.6336 299.9192 -132.9626 -109.2755 763232.6249 -8.7075 -8.7170 PRESSURE: 4502000 194.042 -125.099 71.2381 -125.098 -363.759 -121.298 71.2376 -121.298 -51.4507 GPRESSURE: 4502000 246.075 -88.2812 49.7159 6.93119 -315.02 -74.0193 227.378 -213.704 -65.2254 PRESSAVG: 4502000 -6.78272 -23.209 -8.06769 -23.209 6.9372 9.0298 -8.06771 9.02979 20.0467 GPRESSAVG: 4502000 -5.81972 -24.0469 -10.6776 -22.9514 6.72558 7.9983 -5.4314 9.33793 18.7241 TIMING: 4502000 CPU: 14285.1, 0.00313513/step Wall: 14285.1, 0.00313513/step, 0.433693 hours remaining, 240.605469 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: 4502000 3997.0408 20621.3155 14460.0882 265.1016 -203833.8069 2775.9157 0.0000 0.0000 52071.9094 -109642.4357 299.2580 -161714.3450 -109269.0431 299.7803 -73.7224 -44.7233 760040.5763 6.7337 6.5433 PRESSURE: 4502200 148.909 -266.671 234.432 -266.671 8.86912 152.946 234.432 152.947 20.5663 GPRESSURE: 4502200 151.276 -216.701 257.05 -246.65 0.848577 155.529 226.442 159.25 110.711 PRESSAVG: 4502200 23.867 14.6912 39.1394 14.6912 -42.0977 6.4925 39.1394 6.4925 -2.17647 GPRESSAVG: 4502200 22.777 17.0366 41.1852 14.5688 -42.6098 6.65343 35.889 7.16653 -0.864431 TIMING: 4502200 CPU: 14285.7, 0.00312975/step Wall: 14285.7, 0.00312975/step, 0.432775 hours remaining, 240.605469 MB of memory in use. ENERGY: 4502200 3939.3948 20646.1799 14433.3032 258.1612 -203628.2564 2472.2481 0.0000 0.0000 52073.4526 -109805.5166 299.2668 -161878.9692 -109438.1264 299.6317 59.4481 87.6118 758834.8794 -6.8024 -6.8991 PRESSURE: 4502400 20.6538 38.363 213.826 38.3626 -97.953 -115.912 213.826 -115.912 -322.472 GPRESSURE: 4502400 47.1817 -5.20063 200.99 101.238 -88.896 -162.696 195.437 -226.295 -269.708 PRESSAVG: 4502400 21.7751 4.87848 20.7321 4.87849 -1.93883 -24.6655 20.7321 -24.6655 -23.8679 GPRESSAVG: 4502400 22.7359 3.81277 21.32 5.72919 -1.78494 -23.435 19.7238 -26.6802 -24.5208 TIMING: 4502400 CPU: 14286.3, 0.00312336/step Wall: 14286.3, 0.00312336/step, 0.431717 hours remaining, 240.605469 MB of memory in use. ENERGY: 4502400 4031.1218 20659.9900 14503.6686 250.0176 -203735.5545 2698.0512 0.0000 0.0000 52128.1428 -109464.5624 299.5812 -161592.7052 -109095.7168 299.5910 -133.2569 -103.8073 761466.7891 -1.3439 -1.1900 PRESSURE: 4502600 -162.44 146.072 -30.0258 146.072 -389.987 -48.1004 -30.0259 -48.1011 -146.63 GPRESSURE: 4502600 -127.591 200.304 -83.8796 152.613 -322.385 -76.2463 132.286 52.4962 -179.372 PRESSAVG: 4502600 17.2598 -9.82759 55.617 -9.82762 -70.3573 7.68227 55.617 7.68225 17.2619 GPRESSAVG: 4502600 16.1227 -10.8239 53.7945 -10.273 -69.4008 7.61081 57.2878 9.57804 17.9043 TIMING: 4502600 CPU: 14287, 0.00316609/step Wall: 14287, 0.00316609/step, 0.437448 hours remaining, 240.605469 MB of memory in use. ENERGY: 4502600 4020.9601 20690.9374 14527.3512 262.0973 -203337.3145 2266.9892 0.0000 0.0000 52033.6141 -109535.3653 299.0379 -161568.9793 -109167.0128 299.5831 -233.0188 -209.7826 761457.8580 -11.9452 -11.7913 PRESSURE: 4502800 -103.231 -69.269 16.7517 -69.27 173.241 87.098 16.7515 87.0972 -138.302 GPRESSURE: 4502800 2.27495 -92.3988 -70.4442 -80.3001 141.424 56.0362 -19.8658 156.332 -134.686 PRESSAVG: 4502800 7.52801 -103.474 31.019 -103.474 -39.5343 -10.2591 31.019 -10.2592 -5.452 GPRESSAVG: 4502800 9.26636 -103.201 29.0545 -102.408 -41.0246 -10.1957 32.6876 -7.82308 -5.46911 TIMING: 4502800 CPU: 14287.6, 0.00315184/step Wall: 14287.6, 0.00315184/step, 0.435305 hours remaining, 240.605469 MB of memory in use. ENERGY: 4502800 4016.7002 20584.2346 14542.9333 257.3649 -203735.4117 2778.8905 0.0000 0.0000 52054.0507 -109501.2375 299.1553 -161555.2882 -109135.3434 299.5009 -22.7641 3.0043 761221.5072 -12.4861 -12.4091 PRESSURE: 4503000 -206.187 30.5047 -213.571 30.5042 85.8697 329.639 -213.57 329.637 29.7496 GPRESSURE: 4503000 -126.422 -5.50575 -264.117 34.4637 58.9582 279.475 -147.316 217.848 49.3774 PRESSAVG: 4503000 -72.1268 10.8816 23.2581 10.8815 76.5893 46.2315 23.2581 46.2315 4.12847 GPRESSAVG: 4503000 -71.6212 10.9653 25.6892 10.4791 76.014 46.3432 22.2203 42.6577 3.68765 TIMING: 4503000 CPU: 14288.2, 0.00315585/step Wall: 14288.2, 0.00315585/step, 0.435682 hours remaining, 240.605469 MB of memory in use. ENERGY: 4503000 3974.2299 20676.2097 14420.1061 253.6879 -203728.5514 2715.9277 0.0000 0.0000 52192.8259 -109495.5642 299.9529 -161688.3902 -109139.8176 299.7768 -30.1893 -6.0288 761675.0006 2.8637 2.6935 PRESSURE: 4503200 53.4546 -212.063 113.777 -212.063 -290.299 106.524 113.777 106.523 -13.0929 GPRESSURE: 4503200 -21.2758 -98.7076 72.8884 -238.992 -241.685 3.51917 172.622 90.4091 114.796 PRESSAVG: 4503200 28.4531 -53.322 6.21719 -53.322 -1.92457 1.6026 6.21718 1.60257 -13.5924 GPRESSAVG: 4503200 27.3283 -52.7113 4.88052 -52.745 -0.696579 1.92959 6.46506 2.56316 -13.5203 TIMING: 4503200 CPU: 14288.9, 0.00317062/step Wall: 14288.9, 0.00317062/step, 0.437546 hours remaining, 240.605469 MB of memory in use. ENERGY: 4503200 4045.6616 20611.7180 14450.2948 232.6691 -203852.5174 2832.3978 0.0000 0.0000 52128.0404 -109551.7356 299.5806 -161679.7761 -109175.0904 299.9050 -83.3123 -49.3884 760105.1388 4.3121 4.3705 PRESSURE: 4503400 73.9351 198.445 -46.1864 198.444 -148.627 -172.562 -46.1866 -172.562 202.17 GPRESSURE: 4503400 41.9522 29.5044 3.19573 172.145 -39.5433 -124.748 -112.35 -281.899 210.206 PRESSAVG: 4503400 -4.54979 -44.4399 -40.417 -44.4399 -40.5356 -10.7032 -40.4169 -10.7033 6.32093 GPRESSAVG: 4503400 -5.27861 -45.619 -38.5763 -45.269 -39.9491 -8.7993 -38.5305 -12.6651 6.80595 TIMING: 4503400 CPU: 14289.5, 0.00314454/step Wall: 14289.5, 0.00314454/step, 0.433772 hours remaining, 240.605469 MB of memory in use. ENERGY: 4503400 3945.1654 20638.3796 14438.7303 266.8444 -203690.9177 2711.7648 0.0000 0.0000 51975.3025 -109714.7307 298.7028 -161690.0332 -109354.0126 298.9757 42.4925 70.8715 761410.6168 -12.9215 -12.8072 PRESSURE: 4503600 -124.331 -81.5501 -61.7438 -81.5496 13.3999 40.6921 -61.7447 40.6917 62.9522 GPRESSURE: 4503600 -25.2406 -109.794 -82.0269 -37.4568 39.4417 34.8015 -62.9518 62.1583 9.76695 PRESSAVG: 4503600 60.5896 8.76176 10.5108 8.76179 -30.554 10.6112 10.5108 10.6112 4.30571 GPRESSAVG: 4503600 61.3545 8.15825 8.65456 7.44962 -31.3194 8.57243 8.07347 10.9317 4.23724 TIMING: 4503600 CPU: 14290.1, 0.0031451/step Wall: 14290.1, 0.0031451/step, 0.433674 hours remaining, 240.605469 MB of memory in use. ENERGY: 4503600 3965.6483 20562.1388 14361.9700 258.8435 -203736.0289 2569.9717 0.0000 0.0000 51973.0899 -110044.3666 298.6901 -162017.4565 -109688.4201 298.2181 -15.9929 7.9893 760636.7884 11.4471 11.4241 PRESSURE: 4503800 217.58 91.1971 -25.847 91.1976 235.41 104.589 -25.8478 104.59 89.2239 GPRESSURE: 4503800 268.833 110.906 9.70839 150.582 271.43 47.6543 90.2312 60.133 94.4825 PRESSAVG: 4503800 -6.32827 11.8154 44.4145 11.8154 -3.04267 67.189 44.4146 67.189 -1.52875 GPRESSAVG: 4503800 -6.20083 12.6376 44.7044 14.2276 -2.42477 67.7467 45.311 68.2813 -2.2304 TIMING: 4503800 CPU: 14290.8, 0.00314973/step Wall: 14290.8, 0.00314973/step, 0.434138 hours remaining, 240.605469 MB of memory in use. ENERGY: 4503800 3995.3828 20714.8816 14383.6039 242.4469 -203866.6150 2652.9443 0.0000 0.0000 51957.4457 -109919.9098 298.6002 -161877.3555 -109567.5789 298.3631 180.7380 211.5819 760959.4549 -3.6332 -3.6187 PRESSURE: 4504000 -188.092 185.737 103.653 185.737 52.1623 90.4522 103.653 90.4522 -52.542 GPRESSURE: 4504000 -134.077 146.94 -18.9577 16.0473 61.9489 -40.5432 61.3947 96.6477 -31.7983 PRESSAVG: 4504000 34.2357 75.6969 -6.60615 75.6969 -16.85 33.0594 -6.60612 33.0594 24.9832 GPRESSAVG: 4504000 34.468 75.7026 -5.68014 74.2841 -17.6534 33.1124 -6.58954 31.5425 25.6179 TIMING: 4504000 CPU: 14291.4, 0.00313813/step Wall: 14291.4, 0.00313813/step, 0.432365 hours remaining, 240.605469 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: 4504000 4163.2104 20506.2061 14474.7556 245.4472 -203993.1329 2615.7226 0.0000 0.0000 52159.2753 -109828.5157 299.7601 -161987.7909 -109467.9938 298.6105 -62.8240 -34.6422 760893.4615 14.1230 14.1442 PRESSURE: 4504200 -193.906 109.969 373.469 109.967 -142.213 258.469 373.47 258.468 87.5323 GPRESSURE: 4504200 -115.488 21.4823 403.51 58.4367 -132.087 295.215 313.562 182.477 88.7033 PRESSAVG: 4504200 -83.9858 35.132 17.9379 35.132 4.87714 46.5593 17.938 46.5593 6.15034 GPRESSAVG: 4504200 -84.9828 34.7121 17.833 33.9358 5.805 46.4315 17.6251 48.6306 6.80981 TIMING: 4504200 CPU: 14292, 0.00315064/step Wall: 14292, 0.00315064/step, 0.433913 hours remaining, 240.605469 MB of memory in use. ENERGY: 4504200 3953.4741 20584.2104 14452.1704 236.4000 -203944.7481 2846.0681 0.0000 0.0000 51893.4510 -109978.9741 298.2324 -161872.4251 -109611.0134 298.6566 -82.8624 -52.9572 760947.3855 -24.3194 -24.1227 LDB: ============= START OF LOAD BALANCING ============== 14304.5 LDB: ============== END OF LOAD BALANCING =============== 14304.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14304.5 LDB: ============= START OF LOAD BALANCING ============== 14304.8 LDB: Largest compute 7078 load 0.036411 is 18.6% of average load 0.195447 LDB: Average compute 0.004397 is 2.2% of average load 0.195447 LDB: TIME 14304.8 LOAD: AVG 0.195447 MAX 0.2146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.246 MB LDB: TIME 14304.8 LOAD: AVG 0.195447 MAX 0.2146 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: TIME 14304.8 LOAD: AVG 0.195447 MAX 0.2146 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.453 MB LDB: ============== END OF LOAD BALANCING =============== 14304.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14304.8 PRESSURE: 4504400 -78.7406 -141.451 -124.64 -141.45 -125.181 -23.9751 -124.64 -23.9761 201.358 GPRESSURE: 4504400 26.1281 58.7172 -147.073 -157.55 -77.7394 -105.994 -172.637 162.415 144.412 PRESSAVG: 4504400 -11.6243 89.8134 19.3244 89.8134 13.0232 18.6758 19.3244 18.6757 -5.50135 GPRESSAVG: 4504400 -10.0237 90.0958 18.6453 89.336 12.4133 17.5417 18.9859 20.961 -6.75042 TIMING: 4504400 CPU: 14292.7, 0.00320178/step Wall: 14292.7, 0.00320178/step, 0.440778 hours remaining, 240.039062 MB of memory in use. ENERGY: 4504400 3937.9514 20507.8209 14482.0478 232.1206 -204117.4359 2792.5390 0.0000 0.0000 52163.8342 -110001.1220 299.7863 -162164.9561 -109629.4629 298.6464 -0.8546 30.9335 760260.7791 -1.3675 -1.4536 PRESSURE: 4504600 -374.981 -11.7842 -97.8038 -11.7849 30.0783 202.714 -97.8043 202.715 -231.064 GPRESSURE: 4504600 -364.929 -91.8945 -21.6824 -53.0564 60.2411 225.503 -93.7123 203.257 -175.409 PRESSAVG: 4504600 42.6148 31.2334 -65.1781 31.2334 -47.5274 18.4375 -65.1781 18.4375 12.8208 GPRESSAVG: 4504600 40.6264 30.9712 -63.6638 32.9355 -46.8948 19.7111 -65.6568 17.3609 13.8327 TIMING: 4504600 CPU: 14293.3, 0.00314909/step Wall: 14293.3, 0.00314909/step, 0.43335 hours remaining, 240.039062 MB of memory in use. ENERGY: 4504600 4034.6456 20571.2898 14465.2122 261.7179 -203887.3949 2651.1706 0.0000 0.0000 51847.9389 -110055.4200 297.9708 -161903.3589 -109701.8923 298.3610 -191.9889 -160.0325 760671.8911 2.6361 2.5214 PRESSURE: 4504800 -39.9047 -43.8993 -268.091 -43.8981 -226.602 158.326 -268.09 158.324 -331.677 GPRESSURE: 4504800 -16.7687 74.5783 -342.818 -58.4332 -182.888 118.895 -211.42 -33.2753 -308.947 PRESSAVG: 4504800 31.5897 -28.1444 -54.5847 -28.1444 -49.7325 9.37291 -54.5847 9.37291 -21.35 GPRESSAVG: 4504800 32.9635 -25.9917 -55.5303 -28.6243 -48.6334 9.20548 -54.9964 7.86517 -22.9845 TIMING: 4504800 CPU: 14293.9, 0.00313937/step Wall: 14293.9, 0.00313937/step, 0.431838 hours remaining, 240.039062 MB of memory in use. ENERGY: 4504800 4000.0158 20418.8152 14460.1196 278.8040 -203472.8941 2362.9042 0.0000 0.0000 51901.9383 -110050.2969 298.2812 -161952.2352 -109690.6169 297.9265 -199.3944 -169.5346 759858.9760 -13.1642 -12.8848 PRESSURE: 4505000 -35.0791 -99.3557 173.882 -99.3558 -65.9189 185.044 173.883 185.044 -12.5501 GPRESSURE: 4505000 -99.3147 -71.0723 112.185 -100.685 73.7919 132.873 75.1093 152.484 -15.4302 PRESSAVG: 4505000 -14.6991 -6.14828 -37.4266 -6.14826 -15.3878 10.449 -37.4266 10.4491 0.540852 GPRESSAVG: 4505000 -15.4413 -7.65183 -36.8806 -5.45396 -16.1657 9.68181 -38.4943 9.43951 1.84321 TIMING: 4505000 CPU: 14294.5, 0.00315403/step Wall: 14294.5, 0.00315403/step, 0.43368 hours remaining, 240.039062 MB of memory in use. ENERGY: 4505000 3992.2202 20479.0195 14501.7945 259.8060 -204006.8823 2788.5467 0.0000 0.0000 51802.6896 -110182.8058 297.7108 -161985.4954 -109823.1282 298.0987 -37.8494 -13.6510 760782.0529 -9.8487 -9.9213 PRESSURE: 4505200 169.159 -30.9409 -76.239 -30.941 -74.7652 -70.635 -76.2389 -70.6349 385.737 GPRESSURE: 4505200 165.62 -58.4691 5.8761 -56.9894 97.2576 -128.708 -110.943 85.1643 305.096 PRESSAVG: 4505200 27.9677 -39.8567 -18.5017 -39.8567 -33.958 -6.1412 -18.5018 -6.14118 9.36997 GPRESSAVG: 4505200 27.3767 -38.8882 -20.2604 -39.1353 -33.1805 -5.91687 -17.6584 -3.8965 9.04792 TIMING: 4505200 CPU: 14295.2, 0.00315231/step Wall: 14295.2, 0.00315231/step, 0.433268 hours remaining, 240.039062 MB of memory in use. ENERGY: 4505200 3999.0353 20368.8338 14488.9868 251.9999 -204108.7725 3004.1439 0.0000 0.0000 51763.8316 -110231.9413 297.4875 -161995.7728 -109875.7048 297.8754 160.0436 189.3246 761760.7335 1.1266 1.0814 PRESSURE: 4505400 -123.657 78.8669 166.426 78.8677 197.836 -76.3224 166.427 -76.3226 -125.613 GPRESSURE: 4505400 -37.2012 85.0467 161.22 162.952 215.196 -36.2815 95.6416 -160.919 -135.729 PRESSAVG: 4505400 -33.1112 55.2064 -17.8705 55.2064 41.7033 -39.8058 -17.8705 -39.8058 -11.7668 GPRESSAVG: 4505400 -31.9655 53.937 -17.3644 54.1164 40.6254 -38.0364 -17.5366 -40.1431 -11.8635 TIMING: 4505400 CPU: 14295.8, 0.00315096/step Wall: 14295.8, 0.00315096/step, 0.432906 hours remaining, 240.039062 MB of memory in use. ENERGY: 4505400 3944.9036 20301.3793 14412.4210 238.0938 -203693.6606 2735.8460 0.0000 0.0000 51894.7650 -110166.2519 298.2399 -162061.0168 -109798.9708 297.6601 -17.1447 14.0884 761758.6735 -1.0582 -1.0679 PRESSURE: 4505600 -138.375 -5.63954 242.068 -5.63873 13.3187 -168.757 242.068 -168.757 -207.864 GPRESSURE: 4505600 -194.274 25.3982 256.594 -37.7056 112.414 -101.377 308.743 -199.135 -193.532 PRESSAVG: 4505600 -41.6953 12.4396 -6.64383 12.4397 32.7803 -10.9328 -6.64389 -10.9327 2.53351 GPRESSAVG: 4505600 -42.1603 13.7269 -4.76773 13.0333 32.5667 -10.8999 -5.0037 -12.3118 3.03895 TIMING: 4505600 CPU: 14296.4, 0.00315811/step Wall: 14296.4, 0.00315811/step, 0.433713 hours remaining, 240.039062 MB of memory in use. ENERGY: 4505600 4021.7510 20562.0827 14442.3152 245.1059 -204117.3509 2804.9088 0.0000 0.0000 51772.9010 -110268.2864 297.5396 -162041.1874 -109906.9304 297.5850 -110.9737 -91.7971 761734.8705 -2.1272 -2.1849 PRESSURE: 4505800 -249.392 210.225 69.6939 210.225 -112.652 -275.011 69.6938 -275.01 -321.42 GPRESSURE: 4505800 -257.984 121.222 78.8572 158.665 -54.4517 -225.941 -53.6339 -197.206 -311.969 PRESSAVG: 4505800 12.8322 12.17 45.0143 12.17 -15.3273 -45.4553 45.0142 -45.4553 -2.37574 GPRESSAVG: 4505800 13.3279 13.563 45.1138 12.0474 -14.7341 -46.5238 42.1546 -44.9279 -3.35343 TIMING: 4505800 CPU: 14297.1, 0.00313952/step Wall: 14297.1, 0.00313952/step, 0.430987 hours remaining, 240.039062 MB of memory in use. ENERGY: 4505800 4052.9667 20570.8249 14524.4628 245.4407 -203864.2465 2653.6019 0.0000 0.0000 51696.6299 -110120.3196 297.1012 -161816.9495 -109767.9838 297.6842 -227.8216 -208.1348 761607.0535 -1.6236 -1.5866 PRESSURE: 4506000 -356.795 -213.748 34.2952 -213.748 -217.657 -36.0125 34.2957 -36.0135 -408.688 GPRESSURE: 4506000 -388.97 -151.098 53.5082 -205.646 -103.08 -34.6276 80.2148 124.582 -419.3 PRESSAVG: 4506000 -50.7196 -17.6707 -20.2754 -17.6708 42.1176 52.5236 -20.2754 52.5235 -16.6434 GPRESSAVG: 4506000 -51.3189 -18.7589 -19.7899 -17.1541 42.9458 52.5089 -20.2166 51.8494 -16.9597 TIMING: 4506000 CPU: 14297.7, 0.00313821/step Wall: 14297.7, 0.00313821/step, 0.430632 hours remaining, 240.039062 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: 4506000 3970.3470 20352.7334 14497.4891 243.2780 -203508.2946 2542.3122 0.0000 0.0000 51811.5716 -110090.5633 297.7618 -161902.1349 -109729.2278 298.0682 -327.7134 -303.7832 762661.0901 -8.4151 -8.4443 PRESSURE: 4506200 -36.5035 -48.5557 267.204 -48.5549 80.7763 -289.183 267.203 -289.183 210.946 GPRESSURE: 4506200 20.2474 57.7448 253.384 -20.5991 184.253 -226.908 188.028 -159.708 145.026 PRESSAVG: 4506200 6.67092 36.2233 20.6536 36.2233 -15.733 -50.4379 20.6536 -50.4379 -12.1092 GPRESSAVG: 4506200 7.76372 37.5684 20.8318 35.1936 -16.3668 -49.6785 20.0544 -49.5985 -12.6027 TIMING: 4506200 CPU: 14298.3, 0.00315532/step Wall: 14298.3, 0.00315532/step, 0.432805 hours remaining, 240.039062 MB of memory in use. ENERGY: 4506200 3952.8824 20372.1303 14466.7656 231.6711 -203946.7022 3178.4008 0.0000 0.0000 51732.2503 -110012.6017 297.3060 -161744.8520 -109651.1662 298.2547 85.0730 116.5088 762134.9017 -7.0571 -7.0686 PRESSURE: 4506400 101.742 -45.3693 -23.1552 -45.3695 -107.202 131.697 -23.1551 131.697 -212.703 GPRESSURE: 4506400 136.393 -87.6866 20.2685 17.0213 -113.847 153.334 -17.2798 105.109 -185.511 PRESSAVG: 4506400 29.515 61.9526 42.7736 61.9525 -9.73642 -19.5606 42.7736 -19.5606 10.2084 GPRESSAVG: 4506400 29.0577 60.4803 40.5554 64.2095 -10.693 -21.5125 44.5832 -20.6158 11.4291 TIMING: 4506400 CPU: 14299, 0.00314432/step Wall: 14299, 0.00314432/step, 0.431121 hours remaining, 240.039062 MB of memory in use. ENERGY: 4506400 4010.9163 20422.5550 14501.0110 248.1042 -204105.3148 3105.7036 0.0000 0.0000 51742.5850 -110074.4398 297.3653 -161817.0248 -109704.4349 298.4520 -72.7208 -54.3215 763295.5942 9.9956 9.9313 PRESSURE: 4506600 -45.9592 -77.7465 -73.8327 -77.7471 -62.764 9.61378 -73.8322 9.61393 4.1745 GPRESSURE: 4506600 123.964 -98.2125 -91.8017 -112.219 -87.908 -80.7792 -132.872 29.3881 -51.3989 PRESSAVG: 4506600 14.7919 -33.1206 43.9039 -33.1206 -9.64693 -31.3366 43.9039 -31.3366 2.89032 GPRESSAVG: 4506600 14.8716 -32.1212 44.2806 -33.6027 -8.95593 -29.492 43.6973 -29.8025 2.20424 TIMING: 4506600 CPU: 14299.6, 0.00317124/step Wall: 14299.6, 0.00317124/step, 0.434636 hours remaining, 240.039062 MB of memory in use. ENERGY: 4506600 3973.4154 20458.4290 14486.7742 249.0660 -203630.7321 2646.3371 0.0000 0.0000 52006.6266 -109810.0839 298.8828 -161816.7104 -109450.0473 298.2963 -34.8496 -5.1143 762040.5014 2.6784 2.7066 PRESSURE: 4506800 56.6955 -71.0763 69.0949 -71.0764 -264.244 24.0068 69.0943 24.0053 -77.9994 GPRESSURE: 4506800 -8.53141 26.1258 35.4689 -97.2756 -124.265 81.8233 -46.2866 59.68 -69.4998 PRESSAVG: 4506800 44.714 -21.4278 27.7307 -21.4277 12.2801 12.445 27.7307 12.445 13.6694 GPRESSAVG: 4506800 44.2279 -22.4463 27.4485 -22.5447 13.5454 12.1296 27.4763 10.616 13.0078 TIMING: 4506800 CPU: 14300.2, 0.00316413/step Wall: 14300.2, 0.00316413/step, 0.433485 hours remaining, 240.039062 MB of memory in use. ENERGY: 4506800 3937.9848 20431.7164 14479.7098 264.0576 -203782.6045 2809.2341 0.0000 0.0000 51946.9704 -109912.9314 298.5400 -161859.9018 -109550.3593 298.4230 -95.1828 -67.4319 761744.4566 23.5545 23.5937 PRESSURE: 4507000 40.9845 -156.716 -16.6763 -156.715 -455.743 -178.401 -16.6758 -178.403 66.7645 GPRESSURE: 4507000 73.3849 -110.829 54.2916 -159.473 -402.975 -128.379 0.415463 -68.9875 89.4784 PRESSAVG: 4507000 -9.0836 -12.5048 20.2021 -12.5048 4.20736 -30.31 20.2021 -30.3099 -7.57856 GPRESSAVG: 4507000 -8.17501 -14.4741 20.6546 -9.51427 2.73333 -30.1357 21.5493 -30.0175 -6.86857 TIMING: 4507000 CPU: 14300.9, 0.00316208/step Wall: 14300.9, 0.00316208/step, 0.433029 hours remaining, 240.039062 MB of memory in use. ENERGY: 4507000 4003.2093 20458.5705 14477.3871 265.4010 -203395.1007 2611.8684 0.0000 0.0000 51589.5189 -109989.1455 296.4857 -161578.6644 -109632.1937 297.9947 -115.9980 -80.0371 762640.0668 -4.1516 -4.1034 PRESSURE: 4507200 -138.493 65.6324 -164.147 65.6322 -68.7302 209.805 -164.146 209.805 321.114 GPRESSURE: 4507200 -212.475 10.0914 -172.663 -16.066 108.73 172.4 -78.8228 162.596 320.065 PRESSAVG: 4507200 16.3366 -89.2299 50.3656 -89.2299 -33.3005 -2.2208 50.3656 -2.22071 -11.9646 GPRESSAVG: 4507200 15.4344 -86.9359 50.6357 -91.2518 -32.7104 -3.32946 48.3308 -2.28467 -11.5122 TIMING: 4507200 CPU: 14301.5, 0.0031585/step Wall: 14301.5, 0.0031585/step, 0.432363 hours remaining, 240.039062 MB of memory in use. ENERGY: 4507200 3931.6507 20330.0592 14490.8623 235.9979 -203519.6999 2529.5947 0.0000 0.0000 52063.1622 -109938.3730 299.2077 -162001.5351 -109571.7945 298.1769 37.9636 72.1064 762093.0746 -9.6428 -9.5960 PRESSURE: 4507400 11.6306 -191.615 133.762 -191.614 -117.222 -58.1212 133.762 -58.12 189.671 GPRESSURE: 4507400 15.1652 -64.1759 177.523 -245.089 -59.5146 8.75656 96.2749 -97.9614 208.581 PRESSAVG: 4507400 37.3967 -52.9355 18.9051 -52.9354 -16.0749 11.8056 18.9052 11.8056 -36.9 GPRESSAVG: 4507400 37.3493 -53.1933 17.58 -52.0761 -15.632 11.6605 18.8571 12.3055 -36.7251 TIMING: 4507400 CPU: 14302.1, 0.00315133/step Wall: 14302.1, 0.00315133/step, 0.431207 hours remaining, 240.039062 MB of memory in use. ENERGY: 4507400 3890.3630 20424.9553 14500.4232 253.1154 -203082.8318 2251.9750 0.0000 0.0000 51890.6897 -109871.3102 298.2165 -161761.9998 -109509.3609 298.2698 28.0265 54.7440 762349.9235 -5.1928 -5.0026 PRESSURE: 4507600 -285.959 145.184 144.017 145.183 37.207 -91.5499 144.016 -91.5496 -224.96 GPRESSURE: 4507600 -284.872 215.879 120.742 161.497 80.9966 -189.609 168.083 -38.0308 -166.242 PRESSAVG: 4507600 -43.1356 -22.5092 49.8708 -22.5091 49.7697 -37.5584 49.8708 -37.5585 3.38851 GPRESSAVG: 4507600 -41.8823 -22.605 51.5228 -23.7708 49.3179 -36.1328 50.9458 -37.9021 3.2493 TIMING: 4507600 CPU: 14302.7, 0.00312952/step Wall: 14302.7, 0.00312952/step, 0.428049 hours remaining, 240.039062 MB of memory in use. ENERGY: 4507600 3920.0626 20409.0859 14499.4000 239.3394 -203386.8539 2400.2925 0.0000 0.0000 51931.5616 -109987.1118 298.4514 -161918.6734 -109622.4249 298.3409 -157.9038 -123.3724 761819.7011 3.3409 3.5616 PRESSURE: 4507800 -139.185 -104.808 143.431 -104.808 -149.35 162.194 143.431 162.194 -275.648 GPRESSURE: 4507800 -117.232 -148.04 203.65 -179.69 -138.004 116.368 50.033 86.0645 -222.192 PRESSAVG: 4507800 -10.9616 -19.4081 3.81688 -19.4081 49.5974 -10.8973 3.81689 -10.8973 2.3963 GPRESSAVG: 4507800 -11.7376 -19.4251 4.62143 -19.2796 49.1754 -12.0241 1.69279 -12.007 3.40038 TIMING: 4507800 CPU: 14303.4, 0.00313599/step Wall: 14303.4, 0.00313599/step, 0.42876 hours remaining, 240.039062 MB of memory in use. ENERGY: 4507800 4008.9931 20530.9879 14459.9352 246.8425 -203646.2551 2744.6821 0.0000 0.0000 51806.6520 -109848.1621 297.7335 -161654.8142 -109485.0880 298.2590 -188.0614 -159.1426 761817.9833 13.6774 13.6127 PRESSURE: 4508000 -332.574 -85.715 -233.35 -85.7143 -95.1753 -98.6756 -233.351 -98.6768 572.635 GPRESSURE: 4508000 -242.592 -37.6063 -232.206 -188.767 -75.3097 -121.137 -195.751 -35.6019 553.58 PRESSAVG: 4508000 -72.323 -1.62283 14.7425 -1.62282 -4.78055 -11.2169 14.7425 -11.2169 -23.6904 GPRESSAVG: 4508000 -73.1055 -0.834858 14.6496 -3.80142 -4.03769 -11.639 16.7403 -8.41209 -24.2566 TIMING: 4508000 CPU: 14304, 0.00315465/step Wall: 14304, 0.00315465/step, 0.431135 hours remaining, 240.039062 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: 4508000 3970.4954 20359.7873 14476.0484 236.8584 -203187.6168 2418.3719 0.0000 0.0000 51979.0825 -109746.9729 298.7245 -161726.0554 -109380.7100 298.6491 48.2953 78.5595 762509.2896 -33.5980 -33.7999 PRESSURE: 4508200 96.2948 -216.3 19.5002 -216.3 -200.608 119.009 19.5003 119.009 33.8829 GPRESSURE: 4508200 88.3379 -268.221 97.9729 -193.788 -185.459 68.362 18.4816 86.7607 101.679 PRESSAVG: 4508200 29.7931 -36.803 -5.64499 -36.803 5.50381 26.4304 -5.64494 26.4304 13.853 GPRESSAVG: 4508200 29.2757 -38.8548 -7.65137 -34.7671 5.91963 27.8367 -4.34952 24.3133 13.9979 TIMING: 4508200 CPU: 14304.6, 0.00313655/step Wall: 14304.6, 0.00313655/step, 0.428488 hours remaining, 240.039062 MB of memory in use. ENERGY: 4508200 4085.6777 20389.4570 14462.6160 233.5056 -203698.1466 2778.4042 0.0000 0.0000 51994.0947 -109754.3914 298.8108 -161748.4861 -109387.5619 298.7921 -23.4768 1.5194 762223.5805 16.3833 16.3977 LDB: ============= START OF LOAD BALANCING ============== 14317.1 LDB: ============== END OF LOAD BALANCING =============== 14317.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14317.1 LDB: ============= START OF LOAD BALANCING ============== 14317.4 LDB: Largest compute 7078 load 0.034249 is 17.5% of average load 0.195555 LDB: Average compute 0.004371 is 2.2% of average load 0.195555 LDB: TIME 14317.4 LOAD: AVG 0.195555 MAX 0.215613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 14317.4 LOAD: AVG 0.195555 MAX 0.215613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 14317.4 LOAD: AVG 0.195555 MAX 0.215613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 14317.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14317.4 PRESSURE: 4508400 -195.708 -91.5804 59.3913 -91.5793 -107.294 253.798 59.3906 253.8 -620.089 GPRESSURE: 4508400 -108.574 -27.1901 17.0511 -179.269 -134.047 216.137 83.8685 81.7367 -596.899 PRESSAVG: 4508400 4.47488 -52.6647 34.9495 -52.6647 -31.2039 24.9421 34.9495 24.9421 23.3439 GPRESSAVG: 4508400 6.09944 -52.694 35.4403 -52.5165 -31.8614 24.7523 31.5478 24.5616 23.1625 TIMING: 4508400 CPU: 14305.3, 0.00321683/step Wall: 14305.3, 0.00321683/step, 0.439276 hours remaining, 241.582031 MB of memory in use. ENERGY: 4508400 4015.8185 20467.2026 14475.0218 236.3236 -203604.4859 2733.4123 0.0000 0.0000 51951.5016 -109725.2055 298.5660 -161676.7070 -109358.2252 298.9721 -307.6971 -279.8400 762900.0690 -1.1283 -0.8665 PRESSURE: 4508600 -279.192 -103.895 128.206 -103.895 -134.288 155.017 128.207 155.017 -222.884 GPRESSURE: 4508600 -203.769 -138.433 181.843 -79.1421 -85.8079 145.475 218.146 62.0666 -265.175 PRESSAVG: 4508600 -2.25109 -2.10286 16.8338 -2.10281 -17.6202 39.7023 16.8338 39.7022 -17.9214 GPRESSAVG: 4508600 -1.00778 -0.293434 17.0823 -1.12586 -18.8545 39.6612 19.0361 37.702 -17.9366 TIMING: 4508600 CPU: 14305.9, 0.00313711/step Wall: 14305.9, 0.00313711/step, 0.428216 hours remaining, 241.582031 MB of memory in use. ENERGY: 4508600 4023.9692 20525.6338 14441.0789 261.2127 -203606.2102 2697.9064 0.0000 0.0000 51963.9552 -109692.4541 298.6376 -161656.4093 -109339.5418 298.9334 -212.1213 -184.9172 762537.6406 -12.5976 -12.5996 PRESSURE: 4508800 -9.66394 -115.161 142.552 -115.162 -167.769 76.0276 142.551 76.0284 -19.5869 GPRESSURE: 4508800 8.98222 -49.0414 54.4433 -170.401 -102.328 125.379 242.859 86.4751 20.4411 PRESSAVG: 4508800 -25.4272 -38.0911 -2.29964 -38.0912 2.65231 3.25328 -2.29957 3.25332 17.4245 GPRESSAVG: 4508800 -27.0518 -38.0076 -2.27546 -37.6448 2.77231 2.79795 -0.684576 7.15512 18.5753 TIMING: 4508800 CPU: 14306.5, 0.00311328/step Wall: 14306.5, 0.00311328/step, 0.42479 hours remaining, 241.582031 MB of memory in use. ENERGY: 4508800 3975.6266 20261.9467 14451.2670 253.2617 -203402.5907 2798.8693 0.0000 0.0000 52023.6905 -109637.9290 298.9809 -161661.6195 -109276.5980 298.6339 -65.6731 -24.3015 762726.4704 -1.7835 -1.9014 PRESSURE: 4509000 -420.512 20.8799 139.681 20.8793 -82.5606 -42.7083 139.68 -42.7088 -307.663 GPRESSURE: 4509000 -332.572 -15.0238 155.46 -31.3808 -140.671 26.5059 89.5512 -90.1995 -254.876 PRESSAVG: 4509000 17.4354 -11.4602 39.3712 -11.4601 -11.4937 -1.25029 39.3711 -1.25029 -16.2944 GPRESSAVG: 4509000 16.5117 -12.0151 38.5653 -13.6579 -10.662 -0.922637 38.1722 -4.94029 -16.171 TIMING: 4509000 CPU: 14307.1, 0.00313765/step Wall: 14307.1, 0.00313765/step, 0.427941 hours remaining, 241.582031 MB of memory in use. ENERGY: 4509000 3960.5337 20622.9068 14492.9788 244.1892 -203001.4914 2245.6941 0.0000 0.0000 51861.3073 -109573.8814 298.0476 -161435.1888 -109224.4807 298.6881 -270.2453 -242.7063 763188.2362 -3.4509 -3.4405 PRESSURE: 4509200 310.189 -198.671 146.837 -198.672 -14.9631 -133.121 146.836 -133.121 -123.073 GPRESSURE: 4509200 267.664 -96.7963 194.833 -217.252 14.4558 -125.559 180.951 -35.8918 -42.8161 PRESSAVG: 4509200 38.6973 -50.2937 -43.9721 -50.2937 -82.4755 -18.8396 -43.9721 -18.8394 9.2635 GPRESSAVG: 4509200 39.3026 -48.4342 -44.6445 -50.5601 -81.5102 -19.2319 -43.3055 -18.3265 7.88279 TIMING: 4509200 CPU: 14307.8, 0.00315742/step Wall: 14307.8, 0.00315742/step, 0.430462 hours remaining, 241.582031 MB of memory in use. ENERGY: 4509200 4012.2995 20647.0382 14409.9577 231.5060 -203836.2896 2782.1603 0.0000 0.0000 51946.2045 -109807.1237 298.5356 -161753.3281 -109452.4111 298.8697 57.3845 79.7680 762446.8354 -11.5049 -11.4416 PRESSURE: 4509400 -81.1841 264.034 83.6972 264.033 -23.1856 265.527 83.6966 265.527 -549.986 GPRESSURE: 4509400 -57.0827 117.247 -6.22858 126.911 -24.4251 235.821 67.3209 321.025 -472.561 PRESSAVG: 4509400 46.9916 2.69463 -22.0728 2.69459 -45.2144 -17.3083 -22.0728 -17.3082 -33.6086 GPRESSAVG: 4509400 46.449 1.64628 -19.4277 3.48805 -46.2079 -17.0096 -25.7627 -17.2144 -31.6855 TIMING: 4509400 CPU: 14308.4, 0.00314793/step Wall: 14308.4, 0.00314793/step, 0.428993 hours remaining, 241.582031 MB of memory in use. ENERGY: 4509400 3993.4798 20602.9034 14438.5302 233.9639 -203632.8051 2657.5445 0.0000 0.0000 52103.4940 -109602.8892 299.4395 -161706.3833 -109248.8691 298.5689 -218.1186 -184.6897 761311.1275 -10.6104 -10.4814 PRESSURE: 4509600 331.912 37.4776 -90.3168 37.4775 -116.988 14.298 -90.3176 14.2978 -29.3833 GPRESSURE: 4509600 379.129 31.5487 -191.467 30.9409 -114.205 75.4497 -20.0524 49.2206 -26.9755 PRESSAVG: 4509600 65.8444 -7.94394 -53.8589 -7.94398 -40.4049 -3.1433 -53.8588 -3.14336 -4.77418 GPRESSAVG: 4509600 66.4698 -7.38294 -54.2986 -8.92592 -39.4567 -3.46519 -50.9553 -1.77992 -6.54937 TIMING: 4509600 CPU: 14309, 0.00316094/step Wall: 14309, 0.00316094/step, 0.43059 hours remaining, 241.582031 MB of memory in use. ENERGY: 4509600 3986.3097 20543.3980 14504.8158 238.2539 -203340.7755 2531.6209 0.0000 0.0000 52102.0586 -109434.3186 299.4312 -161536.3772 -109081.7816 299.0118 61.8469 79.3160 761076.8653 6.8884 6.8212 PRESSURE: 4509800 -196.09 -129.357 94.7977 -129.358 35.1885 33.7969 94.799 33.7967 4.27585 GPRESSURE: 4509800 -193.125 -30.2342 -19.5328 -206.096 46.1388 -8.64843 189.129 -8.82567 76.5385 PRESSAVG: 4509800 101.981 -25.6223 -16.9728 -25.6224 -65.3751 -29.3599 -16.9728 -29.36 9.96705 GPRESSAVG: 4509800 101.688 -26.4398 -18.0148 -25.3597 -66.2704 -29.2136 -16.8372 -32.6169 10.5331 TIMING: 4509800 CPU: 14309.7, 0.00316403/step Wall: 14309.7, 0.00316403/step, 0.430836 hours remaining, 241.582031 MB of memory in use. ENERGY: 4509800 4022.2229 20748.4009 14530.6220 238.7216 -203771.8052 2742.9215 0.0000 0.0000 52173.2537 -109315.6626 299.8404 -161488.9162 -108961.4411 299.6685 -52.2086 -23.4828 759601.0579 15.5243 15.3167 PRESSURE: 4510000 -11.7974 -94.8916 -143.225 -94.891 -353.497 -64.4285 -143.225 -64.4297 -84.6778 GPRESSURE: 4510000 29.6354 4.27802 -53.6239 -106.687 -263.658 -81.6928 -97.2206 -67.5555 -117.294 PRESSAVG: 4510000 80.6774 -31.0689 -12.1845 -31.0689 -6.95425 -40.5951 -12.1844 -40.5951 14.4646 GPRESSAVG: 4510000 80.3493 -28.295 -10.1904 -30.532 -6.05651 -41.9557 -13.3876 -35.8725 13.9664 TIMING: 4510000 CPU: 14310.3, 0.00316927/step Wall: 14310.3, 0.00316927/step, 0.431372 hours remaining, 241.582031 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: 4510000 3985.0069 20416.3086 14480.4684 257.5947 -202926.8029 2203.6646 0.0000 0.0000 51883.6928 -109700.0669 298.1763 -161583.7597 -109332.5736 299.3998 -149.9907 -117.1054 761560.4155 29.3959 29.4198 PRESSURE: 4510200 258.101 152.586 37.0018 152.586 -207.302 -3.77742 37.0023 -3.77725 288.912 GPRESSURE: 4510200 258.929 172.447 -3.85001 159.205 -84.7642 82.1908 19.028 -59.3996 266.058 PRESSAVG: 4510200 41.9063 -39.509 -33.0816 -39.5091 -48.366 11.4264 -33.0815 11.4263 17.5132 GPRESSAVG: 4510200 42.6151 -40.439 -34.2851 -40.8695 -49.2337 11.39 -31.5183 9.01556 16.6701 TIMING: 4510200 CPU: 14310.9, 0.00315619/step Wall: 14310.9, 0.00315619/step, 0.429418 hours remaining, 241.582031 MB of memory in use. ENERGY: 4510200 3959.4743 20559.1684 14394.7654 248.7112 -203715.7089 2821.4379 0.0000 0.0000 52028.7134 -109703.4383 299.0097 -161732.1517 -109355.3469 298.4098 113.2372 146.7409 761638.8191 3.6845 3.3505 PRESSURE: 4510400 96.3603 52.9715 223.065 52.9714 96.1395 -71.5748 223.064 -71.5754 -9.4232 GPRESSURE: 4510400 172.857 112.365 215.978 10.6065 79.2546 -50.4327 274.605 -108.228 40.375 PRESSAVG: 4510400 77.6409 31.9898 21.6473 31.9898 -59.1478 6.18163 21.6472 6.18163 -2.81965 GPRESSAVG: 4510400 77.3775 30.2505 21.8477 31.9004 -60.6396 7.93629 24.6412 6.36751 -1.41585 TIMING: 4510400 CPU: 14311.6, 0.00316456/step Wall: 14311.6, 0.00316456/step, 0.43038 hours remaining, 241.582031 MB of memory in use. ENERGY: 4510400 3977.2646 20447.4600 14471.2159 230.7951 -203534.2189 2421.9138 0.0000 0.0000 52230.0603 -109755.5092 300.1669 -161985.5695 -109396.7983 298.8312 61.0255 97.4955 761421.8383 5.2245 5.1073 PRESSURE: 4510600 -380.999 271.922 -125.666 271.922 -123.059 94.4765 -125.665 94.4762 162.792 GPRESSURE: 4510600 -293.268 235.129 -54.6879 83.4582 -117.084 88.013 -202.061 39.0979 154.683 PRESSAVG: 4510600 46.9054 13.1043 -10.0779 13.1043 -54.4126 1.73603 -10.0781 1.73602 -4.87059 GPRESSAVG: 4510600 46.7985 13.2368 -9.90562 13.3505 -53.6677 1.24441 -13.6697 0.4759 -5.24669 TIMING: 4510600 CPU: 14312.2, 0.00315157/step Wall: 14312.2, 0.00315157/step, 0.428439 hours remaining, 241.582031 MB of memory in use. ENERGY: 4510600 3953.9685 20638.5683 14480.5682 237.6071 -203593.1377 2447.1785 0.0000 0.0000 52082.4133 -109752.8338 299.3183 -161835.2471 -109403.7460 299.0691 -113.7552 -85.2230 760426.5061 -4.1259 -4.0386 PRESSURE: 4510800 143.05 -149.491 -37.7539 -149.49 270.869 5.09405 -37.7541 5.09443 -44.7583 GPRESSURE: 4510800 86.1869 -159.114 -34.8676 42.1656 303.088 1.99586 5.94699 28.7832 46.9157 PRESSAVG: 4510800 0.474741 -33.275 -19.1378 -33.275 -4.73569 -21.7344 -19.1378 -21.7345 23.9436 GPRESSAVG: 4510800 0.225021 -33.3613 -17.6928 -33.3339 -3.41188 -23.8279 -18.6283 -20.2031 22.4842 TIMING: 4510800 CPU: 14312.8, 0.00314516/step Wall: 14312.8, 0.00314516/step, 0.427393 hours remaining, 241.582031 MB of memory in use. ENERGY: 4510800 3985.9051 20554.6612 14496.5089 255.7953 -203656.4696 2724.2781 0.0000 0.0000 51894.5238 -109744.7972 298.2385 -161639.3210 -109386.5312 298.8212 123.0536 145.3969 759244.9185 6.5609 6.4325 PRESSURE: 4511000 -65.6259 -121.447 72.5927 -121.447 123.522 -50.0196 72.5937 -50.0198 -142.937 GPRESSURE: 4511000 14.9879 5.20577 38.7235 -143.849 45.0397 -48.1533 102.635 -116.693 -58.9118 PRESSAVG: 4511000 50.5785 -30.011 -14.1358 -30.0111 -98.4505 5.14913 -14.1358 5.14906 -7.2202 GPRESSAVG: 4511000 50.0242 -29.6345 -16.185 -30.219 -99.4609 8.8671 -11.838 3.27129 -5.53533 TIMING: 4511000 CPU: 14313.5, 0.00313758/step Wall: 14313.5, 0.00313758/step, 0.426189 hours remaining, 241.582031 MB of memory in use. ENERGY: 4511000 3966.6402 20483.0600 14502.2771 250.1791 -203013.1529 2238.9154 0.0000 0.0000 52012.1103 -109559.9706 298.9143 -161572.0810 -109203.6768 299.8178 -28.3469 0.3719 762168.9223 -18.3641 -18.3240 PRESSURE: 4511200 -1.72354 -53.1595 12.6141 -53.1597 169.646 -11.2077 12.615 -11.2089 -171.43 GPRESSURE: 4511200 43.6531 -34.2334 -49.0267 12.7656 183.39 85.0647 30.0401 -19.6438 -155.331 PRESSAVG: 4511200 -20.0473 -24.2645 8.76262 -24.2645 -4.18622 -2.3701 8.76256 -2.37004 -5.90135 GPRESSAVG: 4511200 -19.2727 -24.7577 10.9946 -22.5589 -4.47201 -3.92109 6.94092 -0.915304 -6.44152 TIMING: 4511200 CPU: 14314.1, 0.00315588/step Wall: 14314.1, 0.00315588/step, 0.428498 hours remaining, 241.582031 MB of memory in use. ENERGY: 4511200 3988.1293 20708.8780 14475.0793 242.3701 -203694.7237 2517.0104 0.0000 0.0000 52091.5145 -109671.7421 299.3706 -161763.2566 -109316.8594 299.7157 -1.1689 23.9040 761101.4466 -10.0450 -10.0621 PRESSURE: 4511400 -73.7558 -3.34204 -87.0528 -3.34193 -25.9725 -148.705 -87.0518 -148.706 337.297 GPRESSURE: 4511400 -80.2286 66.0477 -111.607 -38.1138 76.111 -136.195 -93.9773 -180.616 319.138 PRESSAVG: 4511400 91.3523 -24.1644 -24.9624 -24.1643 -71.0922 -24.6885 -24.9624 -24.6884 -3.54982 GPRESSAVG: 4511400 91.0963 -23.8624 -26.804 -24.4733 -70.2458 -25.4932 -26.4356 -26.0204 -4.45042 TIMING: 4511400 CPU: 14314.7, 0.00316041/step Wall: 14314.7, 0.00316041/step, 0.428938 hours remaining, 241.582031 MB of memory in use. ENERGY: 4511400 3951.3620 20577.2186 14490.8246 251.0393 -203458.8860 2358.8137 0.0000 0.0000 52075.8392 -109753.7885 299.2806 -161829.6277 -109377.0219 298.9450 79.1897 105.0067 761489.1004 5.5701 5.4667 PRESSURE: 4511600 -260.508 101.304 35.5631 101.304 -141.106 -103.499 35.5621 -103.499 -197.745 GPRESSURE: 4511600 -146.415 39.4179 87.6878 6.74317 -128.894 -58.5272 29.7409 -80.5198 -225.251 PRESSAVG: 4511600 94.0397 -14.1314 26.3815 -14.1314 -43.0257 -37.556 26.3814 -37.5561 13.0383 GPRESSAVG: 4511600 93.5521 -13.1198 26.1783 -17.0021 -43.5567 -37.4683 29.1441 -34.7476 14.2712 TIMING: 4511600 CPU: 14315.4, 0.00316522/step Wall: 14315.4, 0.00316522/step, 0.429415 hours remaining, 241.582031 MB of memory in use. ENERGY: 4511600 4017.4600 20588.0163 14559.5238 258.2841 -203411.7331 2304.3664 0.0000 0.0000 51836.2864 -109847.7961 297.9039 -161684.0825 -109482.9066 298.6363 -199.7863 -166.8536 761564.1632 21.3508 21.4222 PRESSURE: 4511800 -35.9539 47.5887 26.0719 47.5889 -294.568 19.8188 26.0732 19.8196 -288.059 GPRESSURE: 4511800 78.8912 40.3624 33.0144 -35.2754 -350.308 38.3994 15.9572 107.296 -274.137 PRESSAVG: 4511800 71.3773 -20.5673 -0.945563 -20.5673 -60.5662 32.3133 -0.94554 32.3133 21.1381 GPRESSAVG: 4511800 70.5572 -21.7265 0.868064 -18.8558 -60.2255 31.4185 -3.16688 33.206 21.3801 TIMING: 4511800 CPU: 14316, 0.00316159/step Wall: 14316, 0.00316159/step, 0.428747 hours remaining, 241.582031 MB of memory in use. ENERGY: 4511800 3915.3711 20593.8084 14585.8567 242.8256 -203409.6486 2432.8947 0.0000 0.0000 51697.4734 -109941.4187 297.1061 -161638.8921 -109573.0191 298.2568 -206.1937 -181.8512 761782.2667 10.6497 10.5706 PRESSURE: 4512000 -54.0214 -58.8511 -226.765 -58.8514 29.8075 -25.1443 -226.766 -25.1433 624.611 GPRESSURE: 4512000 73.1262 -47.4973 -110.707 -62.6059 57.5757 -80.3944 -174.586 -80.6095 543.369 PRESSAVG: 4512000 16.3079 -34.1297 -20.9876 -34.1298 -11.3474 5.11873 -20.9876 5.11867 -8.91513 GPRESSAVG: 4512000 17.219 -34.2375 -22.5477 -33.3777 -11.8909 4.97917 -20.1538 5.77374 -9.92423 TIMING: 4512000 CPU: 14316.6, 0.00316394/step Wall: 14316.6, 0.00316394/step, 0.42889 hours remaining, 241.582031 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: 4512000 3987.3920 20465.5518 14475.2918 253.3504 -204031.3390 2849.7742 0.0000 0.0000 52203.1978 -109796.7808 300.0125 -161999.9786 -109420.5547 298.6999 200.1325 224.6903 761311.3823 -1.3182 -1.5320 PRESSURE: 4512200 -214.852 -226.338 19.3316 -226.339 189.262 -7.87414 19.3314 -7.8743 215.847 GPRESSURE: 4512200 -192.153 -253.401 -37.1454 -75.0576 236.011 51.9189 89.4075 -47.8851 246.475 PRESSAVG: 4512200 -4.8368 5.75047 7.84637 5.7505 10.3239 -31.1339 7.8463 -31.134 4.97422 GPRESSAVG: 4512200 -4.27112 4.32202 8.97614 4.70144 8.70388 -30.0391 7.2799 -33.7549 6.13849 TIMING: 4512200 CPU: 14317.3, 0.00318201/step Wall: 14317.3, 0.00318201/step, 0.431162 hours remaining, 241.582031 MB of memory in use. ENERGY: 4512200 4082.7839 20629.2881 14494.6492 244.8429 -203948.4512 2747.1404 0.0000 0.0000 52180.3667 -109569.3800 299.8813 -161749.7467 -109205.1743 299.2633 63.4191 96.7775 758501.6305 3.4871 3.5237 LDB: ============= START OF LOAD BALANCING ============== 14329.7 LDB: ============== END OF LOAD BALANCING =============== 14329.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14329.7 LDB: ============= START OF LOAD BALANCING ============== 14330 LDB: Largest compute 7078 load 0.035577 is 18.2% of average load 0.195562 LDB: Average compute 0.004399 is 2.2% of average load 0.195562 LDB: TIME 14330 LOAD: AVG 0.195562 MAX 0.21463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 14330 LOAD: AVG 0.195562 MAX 0.21463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 14330 LOAD: AVG 0.195562 MAX 0.21463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 14330 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14330 PRESSURE: 4512400 -28.1693 1.88769 139.862 1.88733 -162.152 -106.923 139.862 -106.923 32.6362 GPRESSURE: 4512400 -6.735 98.228 190.091 60.8755 -187.5 -44.8556 20.3239 -67.1607 126.105 PRESSAVG: 4512400 -17.7248 46.2892 -21.1469 46.2891 -4.53941 4.38952 -21.147 4.38955 16.6938 GPRESSAVG: 4512400 -18.216 47.6292 -21.1569 46.5013 -3.73586 4.64069 -21.4176 5.39709 16.9451 TIMING: 4512400 CPU: 14317.9, 0.00321017/step Wall: 14317.9, 0.00321017/step, 0.4348 hours remaining, 239.527344 MB of memory in use. ENERGY: 4512400 4016.9017 20645.7640 14472.7436 242.4710 -203323.5619 2308.4919 0.0000 0.0000 52111.9298 -109525.2599 299.4880 -161637.1897 -109163.9463 299.4851 -52.5617 -22.7102 760790.2838 -1.8568 -1.6689 PRESSURE: 4512600 -150.668 39.333 8.83903 39.3339 -20.1709 -132.278 8.83855 -132.277 139.386 GPRESSURE: 4512600 -114.465 -20.4867 82.3905 -86.8936 20.1545 -187.493 -11.8157 -122.339 135.566 PRESSAVG: 4512600 35.52 -3.97895 -27.6094 -3.97899 -53.9346 3.50012 -27.6094 3.50015 15.1721 GPRESSAVG: 4512600 35.7143 -5.25176 -28.7394 -2.88284 -53.5555 2.95524 -25.9481 2.87133 14.7749 TIMING: 4512600 CPU: 14318.5, 0.00317334/step Wall: 14318.5, 0.00317334/step, 0.429635 hours remaining, 239.527344 MB of memory in use. ENERGY: 4512600 3947.2337 20640.6230 14489.3983 239.1201 -203258.4511 2358.0158 0.0000 0.0000 51978.1707 -109605.8895 298.7193 -161584.0602 -109237.6013 299.5984 -10.4841 13.7521 762483.7936 -1.0808 -1.0221 PRESSURE: 4512800 518.788 -16.8117 175.948 -16.8122 70.8967 -47.0778 175.949 -47.0786 605.178 GPRESSURE: 4512800 552.326 60.77 158.396 -19.9871 58.5249 -33.614 85.3435 16.3129 669.013 PRESSAVG: 4512800 20.5959 -30.3954 35.6977 -30.3954 -13.3016 -13.9397 35.6977 -13.9397 1.1117 GPRESSAVG: 4512800 20.47 -29.53 37.8593 -30.5997 -12.5299 -13.6284 33.3143 -12.7631 1.01372 TIMING: 4512800 CPU: 14319.2, 0.00316072/step Wall: 14319.2, 0.00316072/step, 0.42775 hours remaining, 239.527344 MB of memory in use. ENERGY: 4512800 3994.7269 20388.5485 14422.2377 255.7278 -203811.7590 2994.3430 0.0000 0.0000 52223.4878 -109532.6871 300.1291 -161756.1750 -109163.2899 299.5881 398.2878 426.6215 760417.1210 2.8020 2.9846 PRESSURE: 4513000 -87.0819 -114.815 51.4588 -114.816 83.6053 -198.907 51.4588 -198.907 270.507 GPRESSURE: 4513000 85.7293 -86.9936 19.6088 -111.539 60.3475 -261.454 47.0643 -175.147 223.188 PRESSAVG: 4513000 55.1074 -29.6909 -16.5299 -29.691 -28.2067 -17.6091 -16.5298 -17.6091 1.93882 GPRESSAVG: 4513000 55.6862 -28.894 -16.4474 -29.9145 -28.7051 -17.5503 -15.4462 -18.8419 2.17471 TIMING: 4513000 CPU: 14319.8, 0.0031505/step Wall: 14319.8, 0.0031505/step, 0.426193 hours remaining, 239.527344 MB of memory in use. ENERGY: 4513000 3995.4885 20414.9235 14444.5716 243.8975 -203933.0838 2940.3232 0.0000 0.0000 52219.2519 -109674.6276 300.1048 -161893.8794 -109312.1208 299.3149 89.0103 123.0883 761827.4062 9.6132 9.7186 PRESSURE: 4513200 91.5333 -27.6305 -104.402 -27.6307 -314.855 367.766 -104.402 367.765 56.1596 GPRESSURE: 4513200 83.7632 -49.5774 -122.067 96.4385 -203.55 340.666 6.14088 263.818 46.9727 PRESSAVG: 4513200 84.2146 -5.57805 -25.6454 -5.57811 -45.2084 14.5348 -25.6454 14.5348 -10.5284 GPRESSAVG: 4513200 84.8722 -5.68387 -26.1592 -7.24267 -45.1367 13.7806 -26.774 15.6669 -11.086 TIMING: 4513200 CPU: 14320.4, 0.00316928/step Wall: 14320.4, 0.00316928/step, 0.428557 hours remaining, 239.527344 MB of memory in use. ENERGY: 4513200 3964.4345 20546.8145 14505.2459 235.4873 -203269.0182 2403.7186 0.0000 0.0000 51900.3379 -109712.9796 298.2720 -161613.3175 -109354.0788 298.9458 -55.7208 -24.2714 760836.2336 9.4926 9.5498 PRESSURE: 4513400 -65.0112 195.73 35.7513 195.73 33.8188 32.8038 35.7511 32.8048 102.803 GPRESSURE: 4513400 -38.5496 169.987 70.4936 163.692 96.5754 -31.301 94.7425 85.2553 79.4826 PRESSAVG: 4513400 95.2302 39.1654 19.0329 39.1654 -86.2967 19.7915 19.0329 19.7915 23.0016 GPRESSAVG: 4513400 95.4247 42.7484 16.8406 41.9632 -86.7136 20.7799 20.0123 18.1506 23.3746 TIMING: 4513400 CPU: 14321.1, 0.00314211/step Wall: 14321.1, 0.00314211/step, 0.424708 hours remaining, 239.527344 MB of memory in use. ENERGY: 4513400 3982.0639 20564.3015 14510.6772 270.9667 -203183.2051 2436.6852 0.0000 0.0000 51830.1549 -109588.3558 297.8686 -161418.5106 -109235.7259 299.3213 23.8702 45.8361 761313.4042 10.6450 10.6952 PRESSURE: 4513600 181.513 35.3822 -37.5027 35.3822 -214.382 240.79 -37.5031 240.79 -137.591 GPRESSURE: 4513600 259.993 27.4048 -39.2361 -69.0065 -204.883 178.944 -70.0816 192.396 -133.615 PRESSAVG: 4513600 41.4975 -23.8846 -16.7048 -23.8847 -23.0526 53.5372 -16.7047 53.5373 23.4517 GPRESSAVG: 4513600 42.4983 -27.763 -14.2057 -24.3025 -24.337 51.6372 -18.8197 54.7751 23.8562 TIMING: 4513600 CPU: 14321.7, 0.00315418/step Wall: 14321.7, 0.00315418/step, 0.426165 hours remaining, 239.527344 MB of memory in use. ENERGY: 4513600 4014.3480 20682.3145 14494.8624 246.2602 -203799.4170 2812.2197 0.0000 0.0000 52161.9099 -109387.5022 299.7752 -161549.4121 -109032.6151 299.3611 -56.8199 -26.1684 762112.2049 13.9655 14.0058 PRESSURE: 4513800 108.267 -63.0818 -58.0059 -63.0811 -413.667 110.93 -58.0058 110.929 48.3367 GPRESSURE: 4513800 59.5225 51.6441 -51.3285 30.5499 -306.798 58.1266 -19.1999 232.778 65.9735 PRESSAVG: 4513800 45.0363 -4.83943 -28.1392 -4.83938 -57.0609 5.80884 -28.1392 5.80887 16.0256 GPRESSAVG: 4513800 42.9996 -3.25834 -28.8722 -6.42357 -55.8873 8.16743 -25.7951 6.56573 16.7025 TIMING: 4513800 CPU: 14322.3, 0.00315118/step Wall: 14322.3, 0.00315118/step, 0.425584 hours remaining, 239.527344 MB of memory in use. ENERGY: 4513800 4063.9038 20505.5654 14438.7750 258.1054 -203606.9871 2856.6630 0.0000 0.0000 52262.9560 -109221.0186 300.3559 -161483.9746 -108853.5963 300.7516 -85.6875 -60.4341 762391.1815 1.3336 1.2716 PRESSURE: 4514000 -275.093 22.5085 59.8557 22.5081 21.4053 -51.9285 59.8561 -51.928 273.565 GPRESSURE: 4514000 -235.472 8.94597 71.4852 22.2755 47.6587 -77.2671 -22.2228 -42.3865 319.739 PRESSAVG: 4514000 26.7722 32.4174 -14.0382 32.4174 -40.6385 16.8025 -14.0382 16.8025 17.6246 GPRESSAVG: 4514000 26.3098 33.5732 -13.6979 29.9952 -40.6389 16.6917 -13.9022 16.1281 18.467 TIMING: 4514000 CPU: 14322.9, 0.00313979/step Wall: 14322.9, 0.00313979/step, 0.423872 hours remaining, 239.527344 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: 4514000 3951.9316 20534.2196 14483.1057 213.4669 -203635.8772 2799.6540 0.0000 0.0000 52397.4767 -109256.0227 301.1290 -161653.4993 -108885.6119 300.2661 6.6255 43.9750 761585.8048 1.2527 1.3793 PRESSURE: 4514200 -293.504 -45.7354 177.919 -45.7359 14.904 -28.0743 177.919 -28.0738 -226.16 GPRESSURE: 4514200 -216.751 -106.78 223.063 88.4871 -6.7267 27.8 272.578 27.7267 -183.71 PRESSAVG: 4514200 27.7848 59.1426 15.8515 59.1425 -21.7775 22.0079 15.8515 22.0079 20.7515 GPRESSAVG: 4514200 29.3875 56.6968 16.3558 64.0114 -21.9722 21.5545 15.7964 20.154 19.6191 TIMING: 4514200 CPU: 14323.6, 0.00313733/step Wall: 14323.6, 0.00313733/step, 0.423365 hours remaining, 239.527344 MB of memory in use. ENERGY: 4514200 4060.7174 20570.6347 14451.3943 233.4757 -203160.7146 2407.5717 0.0000 0.0000 52244.2412 -109192.6796 300.2484 -161436.9208 -108833.9368 300.2377 -168.2532 -135.7292 762964.4234 8.9196 9.0115 PRESSURE: 4514400 -137.519 174.854 -156.121 174.853 -222.312 -232.577 -156.12 -232.576 -279.593 GPRESSURE: 4514400 -129.492 100.729 -136.739 162.393 -125.512 -252.012 -49.8947 -195.362 -308.159 PRESSAVG: 4514400 93.39 7.69997 43.2306 7.69991 -76.5184 -50.7627 43.2306 -50.7628 -17.002 GPRESSAVG: 4514400 93.0467 7.19296 44.142 6.00456 -76.7055 -50.7658 41.509 -49.2649 -16.8491 TIMING: 4514400 CPU: 14324.2, 0.00314935/step Wall: 14324.2, 0.00314935/step, 0.424813 hours remaining, 239.527344 MB of memory in use. ENERGY: 4514400 3944.3697 20571.0012 14393.9262 255.7019 -202765.6946 2234.8606 0.0000 0.0000 52143.3917 -109222.4433 299.6688 -161365.8350 -108858.6495 299.9665 -213.1413 -187.7208 761745.0535 -0.0435 -0.1693 PRESSURE: 4514600 231.32 80.1451 -222.031 80.1453 64.733 223.336 -222.031 223.335 -89.814 GPRESSURE: 4514600 241.982 155.934 -229.537 77.6628 94.8206 196.143 -217.96 250.676 -50.3009 PRESSAVG: 4514600 76.4575 12.8377 -20.0453 12.8377 -59.3191 -31.0481 -20.0452 -31.0482 11.1746 GPRESSAVG: 4514600 76.2433 14.7765 -21.0901 10.9859 -59.9153 -32.1034 -18.091 -32.2087 11.9848 TIMING: 4514600 CPU: 14324.8, 0.00313475/step Wall: 14324.8, 0.00313475/step, 0.422669 hours remaining, 239.527344 MB of memory in use. ENERGY: 4514600 4001.7657 20639.4278 14349.2674 236.6795 -203021.5848 2340.2364 0.0000 0.0000 52113.2613 -109340.9466 299.4956 -161454.2079 -108973.5256 300.1679 68.7462 95.5005 762267.6442 9.4377 9.4376 PRESSURE: 4514800 338.598 32.4527 -11.3158 32.4539 372.896 74.7733 -11.3166 74.7742 -32.4004 GPRESSURE: 4514800 397.23 54.2595 -29.3893 32.6595 346.789 92.9389 5.98758 42.4208 15.3028 PRESSAVG: 4514800 -8.04377 -15.7789 59.9043 -15.7789 9.7011 -92.8028 59.9042 -92.8028 8.01545 GPRESSAVG: 4514800 -9.78344 -16.1443 60.6676 -12.7884 11.0853 -92.3546 59.8312 -90.4397 7.89156 TIMING: 4514800 CPU: 14325.5, 0.00313917/step Wall: 14325.5, 0.00313917/step, 0.42309 hours remaining, 239.527344 MB of memory in use. ENERGY: 4514800 3968.6912 20544.6999 14470.2243 262.7595 -203535.7280 2746.5217 0.0000 0.0000 52148.5981 -109394.2332 299.6987 -161542.8314 -109026.9227 299.4778 226.3647 253.1073 761123.6664 3.2243 3.0645 PRESSURE: 4515000 -163.507 130.084 102 130.083 108.797 -9.29817 102 -9.29794 105.643 GPRESSURE: 4515000 -109.236 137.894 157.867 238.789 125.848 -57.6566 31.6194 -77.6039 121.594 PRESSAVG: 4515000 11.1129 22.2801 55.0394 22.2801 29.9906 24.5493 55.0394 24.5493 -1.91606 GPRESSAVG: 4515000 13.4536 22.1586 55.0218 20.697 30.353 24.5425 54.4413 22.3018 -3.98628 TIMING: 4515000 CPU: 14326.1, 0.00311825/step Wall: 14326.1, 0.00311825/step, 0.420097 hours remaining, 239.527344 MB of memory in use. ENERGY: 4515000 4006.3818 20560.4797 14377.0397 252.6951 -203264.2716 2587.3954 0.0000 0.0000 52164.2714 -109316.0084 299.7888 -161480.2798 -108949.4911 299.9285 16.9777 46.0685 760721.1825 13.0625 13.2734 PRESSURE: 4515200 40.0546 66.0219 147.113 66.0214 56.9779 -83.433 147.113 -83.4321 673.498 GPRESSURE: 4515200 116.153 32.6819 55.2212 134.527 24.8177 -33.9729 115.027 -15.3726 723.682 PRESSAVG: 4515200 14.0931 25.5353 36.1635 25.5352 2.26338 22.3598 36.1635 22.3599 19.0134 GPRESSAVG: 4515200 14.1413 27.7883 34.4733 25.3673 1.63602 24.0387 35.4549 24.1473 19.6997 TIMING: 4515200 CPU: 14326.7, 0.00310908/step Wall: 14326.7, 0.00310908/step, 0.418689 hours remaining, 239.527344 MB of memory in use. ENERGY: 4515200 3958.8152 20533.0662 14421.8157 255.0875 -203502.5085 2630.3452 0.0000 0.0000 52336.5122 -109366.8664 300.7787 -161703.3787 -109008.0425 300.3866 256.8434 288.2176 759786.6245 11.7899 11.8257 PRESSURE: 4515400 241.32 -159.837 -237.259 -159.836 62.2969 -61.2738 -237.258 -61.2715 122.18 GPRESSURE: 4515400 199.69 -198.523 -146.079 -169.482 129.585 -70.0602 -172.203 -205.69 179.097 PRESSAVG: 4515400 -33.7062 -14.8623 53.5799 -14.8623 -5.37424 9.86343 53.5799 9.86345 6.14007 GPRESSAVG: 4515400 -35.2207 -17.6518 56.7425 -12.3425 -4.95546 6.52529 53.5874 10.9713 6.98114 TIMING: 4515400 CPU: 14327.3, 0.00311202/step Wall: 14327.3, 0.00311202/step, 0.418913 hours remaining, 239.527344 MB of memory in use. ENERGY: 4515400 3977.3501 20537.4641 14355.8568 236.6873 -203530.5227 2742.7556 0.0000 0.0000 52373.4303 -109306.9786 300.9908 -161680.4089 -108941.4067 300.2419 141.9322 169.4573 760049.6477 -10.9801 -11.0650 PRESSURE: 4515600 228.05 20.99 124.725 20.9906 -146.577 103.973 124.726 103.973 132.242 GPRESSURE: 4515600 234.641 -13.015 144.836 35.7555 -34.0249 107.428 64.9228 112.419 118.297 PRESSAVG: 4515600 13.6075 -33.0248 -7.32583 -33.0248 -27.9972 31.4507 -7.32579 31.4507 9.2633 GPRESSAVG: 4515600 14.235 -33.4856 -9.94307 -35.6917 -27.9233 32.1914 -7.56388 29.2071 8.57384 TIMING: 4515600 CPU: 14328, 0.00314982/step Wall: 14328, 0.00314982/step, 0.423826 hours remaining, 239.527344 MB of memory in use. ENERGY: 4515600 3963.2039 20567.3099 14373.7722 274.7886 -203077.5917 2432.8920 0.0000 0.0000 52171.5086 -109294.1165 299.8304 -161465.6251 -108932.8288 300.1022 71.2385 106.3046 760298.0617 -1.7088 -1.7048 PRESSURE: 4515800 117.849 53.0383 79.5174 53.0379 178.432 89.8968 79.5177 89.8963 313.686 GPRESSURE: 4515800 154.38 112.734 48.4033 -118.76 226.451 167.1 52.6867 199.448 307.028 PRESSAVG: 4515800 20.4386 -44.0989 -44.53 -44.0989 -23.846 -42.5516 -44.53 -42.5516 -10.6597 GPRESSAVG: 4515800 20.0502 -44.1738 -45.0837 -42.8472 -23.6875 -41.1906 -42.599 -41.7761 -10.4535 TIMING: 4515800 CPU: 14328.6, 0.00314348/step Wall: 14328.6, 0.00314348/step, 0.422798 hours remaining, 239.527344 MB of memory in use. ENERGY: 4515800 3976.1131 20542.0126 14476.4465 244.0289 -203427.7846 2703.1116 0.0000 0.0000 52437.4232 -109048.6488 301.3586 -161486.0719 -108679.6314 300.0774 203.3227 229.2862 761357.2760 -4.6890 -4.6969 PRESSURE: 4516000 128.9 -72.5541 36.9045 -72.553 -70.5253 13.3877 36.9051 13.388 -227.953 GPRESSURE: 4516000 68.7731 -13.5232 20.3674 -88.3288 52.3474 -43.8486 -8.2335 132.308 -187.2 PRESSAVG: 4516000 -4.75381 -22.44 -7.58501 -22.44 20.5992 -50.8814 -7.585 -50.8814 -3.19577 GPRESSAVG: 4516000 -4.81915 -22.3204 -6.8813 -21.7064 20.7041 -50.1091 -7.10552 -50.9808 -3.07325 TIMING: 4516000 CPU: 14329.2, 0.0031381/step Wall: 14329.2, 0.0031381/step, 0.421901 hours remaining, 239.527344 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: 4516000 3912.6389 20677.6920 14454.6952 249.4237 -203171.5148 2436.1810 0.0000 0.0000 52206.4389 -109234.4450 300.0311 -161440.8840 -108864.6688 300.0746 -56.5264 -22.0265 761389.1045 4.2165 4.2706 PRESSURE: 4516200 -96.7089 -139.866 34.8891 -139.866 -187.096 31.117 34.8894 31.1172 -285.652 GPRESSURE: 4516200 -106.848 -172.33 83.296 -86.2064 -130.338 49.0173 8.22983 164.014 -220.102 PRESSAVG: 4516200 1.87503 -5.79226 36.0811 -5.79225 28.6799 -8.36378 36.081 -8.36382 9.23207 GPRESSAVG: 4516200 1.64074 -2.81696 36.7353 -7.37786 28.4245 -7.79788 34.6641 -8.39315 9.78362 TIMING: 4516200 CPU: 14329.8, 0.00313894/step Wall: 14329.8, 0.00313894/step, 0.421838 hours remaining, 239.527344 MB of memory in use. ENERGY: 4516200 4045.1396 20476.7564 14480.9474 235.3554 -202999.7201 2482.3874 0.0000 0.0000 52164.4246 -109114.7092 299.7897 -161279.1339 -108755.3123 300.1709 -189.8189 -152.4293 761252.0598 13.2623 13.2829 LDB: ============= START OF LOAD BALANCING ============== 14342.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14342.3 LDB: =============== DONE WITH MIGRATION ================ 14342.3 LDB: ============= START OF LOAD BALANCING ============== 14342.6 LDB: Largest compute 7078 load 0.035507 is 18.2% of average load 0.195541 LDB: Average compute 0.004388 is 2.2% of average load 0.195541 LDB: TIME 14342.6 LOAD: AVG 0.195541 MAX 0.214634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 14342.6 LOAD: AVG 0.195541 MAX 0.214634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 14342.6 LOAD: AVG 0.195541 MAX 0.214634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 14342.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14342.6 PRESSURE: 4516400 -292.077 -200.583 -84.9387 -200.584 -458.696 33.461 -84.9392 33.4607 -41.1306 GPRESSURE: 4516400 -255.804 -222.974 -162.054 -87.4269 -444.252 -13.0224 -143.038 46.2203 1.73525 PRESSAVG: 4516400 43.8331 23.9147 12.7587 23.9147 -36.5608 25.5385 12.7588 25.5386 -4.84575 GPRESSAVG: 4516400 42.755 22.0754 14.0179 25.1456 -35.927 22.9598 13.3995 24.5673 -4.59268 TIMING: 4516400 CPU: 14330.5, 0.00320164/step Wall: 14330.5, 0.00320164/step, 0.430086 hours remaining, 240.039062 MB of memory in use. ENERGY: 4516400 4051.7892 20469.8943 14485.3463 245.5774 -202506.5057 2171.3289 0.0000 0.0000 52030.4795 -109052.0902 299.0199 -161082.5696 -108686.2969 300.1473 -263.9680 -232.7734 761312.5289 0.8089 0.7451 PRESSURE: 4516600 14.1178 159.661 -73.9513 159.66 -16.0373 -41.0934 -73.9517 -41.0938 275.503 GPRESSURE: 4516600 38.4333 153.172 -29.6861 54.0008 35.7554 -87.5551 -182.208 -69.5479 268.346 PRESSAVG: 4516600 2.82753 -10.078 24.7041 -10.078 45.0869 -3.88022 24.7041 -3.88027 -25.1499 GPRESSAVG: 4516600 4.47407 -9.79613 23.3517 -9.88243 44.226 -3.41056 24.9074 -3.91309 -26.1635 TIMING: 4516600 CPU: 14331.1, 0.00314521/step Wall: 14331.1, 0.00314521/step, 0.422332 hours remaining, 240.039062 MB of memory in use. ENERGY: 4516600 3992.2593 20442.9926 14424.5791 258.2312 -203194.1476 2662.0399 0.0000 0.0000 52217.5397 -109196.5057 300.0949 -161414.0454 -108832.6307 300.2348 91.1946 114.1784 762017.5491 7.5882 7.5122 PRESSURE: 4516800 -273.331 -101.612 237.412 -101.613 324.722 -137.914 237.412 -137.914 100.677 GPRESSURE: 4516800 -147.48 -207.742 216.608 -72.263 277.896 -144.074 271.953 -95.8195 79.1136 PRESSAVG: 4516800 -26.4535 -7.66361 24.064 -7.66361 17.5215 -55.7205 24.064 -55.7205 17.7459 GPRESSAVG: 4516800 -26.633 -6.17307 24.959 -9.29846 16.5882 -55.1521 24.3421 -54.7174 19.3221 TIMING: 4516800 CPU: 14331.7, 0.00313971/step Wall: 14331.7, 0.00313971/step, 0.421419 hours remaining, 240.039062 MB of memory in use. ENERGY: 4516800 4047.6517 20488.3203 14489.6207 238.7740 -203162.9942 2506.3370 0.0000 0.0000 52173.5337 -109218.7568 299.8420 -161392.2905 -108844.2244 299.9854 50.6895 69.8430 761224.8515 2.9380 3.0924 PRESSURE: 4517000 -160.495 82.1045 99.5901 82.1047 -105.863 89.34 99.5895 89.3402 -367.889 GPRESSURE: 4517000 -88.407 -76.4497 79.405 -40.6217 -84.8668 -55.4813 -33.0786 53.3626 -384.488 PRESSAVG: 4517000 -35.4152 -1.14581 -1.02515 -1.14591 14.212 -12.2797 -1.02512 -12.2796 18.9411 GPRESSAVG: 4517000 -34.5718 -4.90517 -1.84282 -1.01027 15.6632 -11.7116 -2.3346 -12.7447 16.5159 TIMING: 4517000 CPU: 14332.4, 0.00312766/step Wall: 14332.4, 0.00312766/step, 0.419628 hours remaining, 240.039062 MB of memory in use. ENERGY: 4517000 3965.5153 20408.0349 14395.5260 222.1743 -203500.4079 2816.1126 0.0000 0.0000 52443.5782 -109249.4667 301.3940 -161693.0449 -108868.2598 299.9790 -211.4155 -185.9208 762896.0720 -0.7540 -0.7976 PRESSURE: 4517200 -243.251 -259 -255.466 -258.999 128.82 70.8267 -255.466 70.8251 97.4221 GPRESSURE: 4517200 -156.457 -148.491 -236.377 -193.59 226.064 22.26 -253.642 -66.1653 20.6063 PRESSAVG: 4517200 38.5606 14.5193 18.7304 14.5194 -14.6448 -42.5169 18.7303 -42.5169 25.3918 GPRESSAVG: 4517200 39.08 18.2462 20.3093 15.9982 -15.3014 -44.2639 17.937 -43.4431 25.6468 TIMING: 4517200 CPU: 14333, 0.00314344/step Wall: 14333, 0.00314344/step, 0.421571 hours remaining, 240.039062 MB of memory in use. ENERGY: 4517200 4020.0317 20571.3453 14495.3686 232.1770 -203073.6629 2379.8987 0.0000 0.0000 52189.3585 -109185.4832 299.9330 -161374.8417 -108829.6007 300.0451 -5.6696 30.0712 759691.4674 16.4359 16.4752 PRESSURE: 4517400 -134.698 -212.763 95.0365 -212.763 -144.682 -14.6414 95.0364 -14.6418 -98.19 GPRESSURE: 4517400 -204.325 -229.199 42.5833 -110.323 1.0715 -7.91698 129.011 -23.9409 -77.2305 PRESSAVG: 4517400 50.2728 -15.1085 -15.6003 -15.1086 -8.5296 -13.9372 -15.6003 -13.9371 4.34148 GPRESSAVG: 4517400 48.3896 -15.5107 -17.0381 -16.557 -6.80642 -13.798 -15.0285 -13.5273 4.93749 TIMING: 4517400 CPU: 14333.6, 0.00315188/step Wall: 14333.6, 0.00315188/step, 0.422527 hours remaining, 240.039062 MB of memory in use. ENERGY: 4517400 3982.7451 20435.0318 14557.8476 234.4304 -203019.0334 2249.7117 0.0000 0.0000 52600.9142 -108958.3526 302.2982 -161559.2669 -108594.8416 300.5358 -125.8569 -93.4946 761748.8333 15.3615 15.5069 PRESSURE: 4517600 -27.4737 -57.6443 8.59953 -57.6446 62.8549 -46.6703 8.60001 -46.6706 -206.408 GPRESSURE: 4517600 78.5823 -39.4506 -19.7528 -68.9549 23.6591 30.3603 -42.1243 -16.2845 -179.302 PRESSAVG: 4517600 -44.3932 -41.2298 -34.1422 -41.2298 43.5874 34.5548 -34.1422 34.5548 2.17973 GPRESSAVG: 4517600 -43.9609 -41.566 -34.5846 -40.519 42.9793 34.7344 -34.8851 32.6672 1.69226 TIMING: 4517600 CPU: 14334.3, 0.00314754/step Wall: 14334.3, 0.00314754/step, 0.42177 hours remaining, 240.039062 MB of memory in use. ENERGY: 4517600 4085.9896 20443.5898 14485.2865 237.6484 -203067.5528 2455.3246 0.0000 0.0000 52285.0419 -109074.6720 300.4829 -161359.7139 -108712.3480 300.8733 -57.0089 -25.6869 762214.9540 0.4580 0.2369 PRESSURE: 4517800 13.2336 2.64203 -208.042 2.64112 -162.364 -7.33127 -208.042 -7.33145 -67.2924 GPRESSURE: 4517800 100.81 3.88387 -178.029 60.1906 -151.006 -8.7077 -147.719 42.6923 -74.8984 PRESSAVG: 4517800 -6.54515 14.5442 -22.9019 14.5442 -14.0856 -24.5406 -22.9019 -24.5405 11.0049 GPRESSAVG: 4517800 -5.84209 13.3336 -24.1493 12.4216 -15.286 -25.79 -21.4808 -23.7808 11.1667 TIMING: 4517800 CPU: 14334.9, 0.00314295/step Wall: 14334.9, 0.00314295/step, 0.420981 hours remaining, 240.039062 MB of memory in use. ENERGY: 4517800 3983.6179 20598.3503 14429.0712 243.7419 -203311.8411 2431.8039 0.0000 0.0000 52494.3873 -109130.8686 301.6860 -161625.2558 -108759.1231 300.3320 -72.1409 -41.6981 760305.2906 -3.2086 -3.3205 PRESSURE: 4518000 -291.984 -24.7928 -18.3709 -24.7931 -73.5646 -272.152 -18.3714 -272.152 -119.823 GPRESSURE: 4518000 -229.287 8.2056 16.3058 -27.5982 -21.7282 -224.752 10.5137 -198.62 -141.005 PRESSAVG: 4518000 -11.3845 -10.3544 -31.3227 -10.3544 -2.26916 76.5294 -31.3226 76.5294 5.07818 GPRESSAVG: 4518000 -12.991 -8.75651 -30.3028 -8.44393 -1.28691 77.5005 -33.1036 77.1166 5.4946 TIMING: 4518000 CPU: 14335.5, 0.00314824/step Wall: 14335.5, 0.00314824/step, 0.421515 hours remaining, 240.039062 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: 4518000 4073.9328 20435.3242 14504.2029 246.3621 -203072.4671 2349.3401 0.0000 0.0000 52209.5140 -109253.7911 300.0488 -161463.3050 -108883.1868 300.2698 -161.7906 -130.6734 761326.2186 -2.8585 -2.9278 PRESSURE: 4518200 -529.405 1.22715 172.486 1.22665 221.017 101.912 172.485 101.912 97.3 GPRESSURE: 4518200 -450.197 -112.031 182.864 118.64 287.198 65.9958 250.109 96.5775 27.1422 PRESSAVG: 4518200 -29.2118 8.82806 -11.3838 8.82801 51.5984 42.7348 -11.3838 42.7348 7.45511 GPRESSAVG: 4518200 -28.4132 8.10233 -11.1089 9.73203 51.1553 43.0239 -9.50347 42.7353 6.91567 TIMING: 4518200 CPU: 14336.1, 0.0031463/step Wall: 14336.1, 0.0031463/step, 0.42108 hours remaining, 240.039062 MB of memory in use. ENERGY: 4518200 3949.6376 20593.4167 14491.9343 238.7630 -202998.3227 2438.1653 0.0000 0.0000 52117.4434 -109168.9624 299.5197 -161286.4058 -108807.5429 300.0351 -70.3625 -45.2854 762200.7439 9.9472 9.8859 PRESSURE: 4518400 -222.138 -138.735 -98.2356 -138.735 174.156 282.877 -98.2355 282.877 312.876 GPRESSURE: 4518400 -94.7837 -148.069 -161.459 -87.908 119.703 242.124 1.23307 235.171 320.648 PRESSAVG: 4518400 -73.327 -36.1888 -26.6668 -36.1888 19.8496 64.5752 -26.6668 64.5753 -27.4029 GPRESSAVG: 4518400 -73.0735 -37.4679 -28.2845 -36.789 19.6013 64.6027 -26.581 64.5967 -27.8869 TIMING: 4518400 CPU: 14336.8, 0.00316831/step Wall: 14336.8, 0.00316831/step, 0.423849 hours remaining, 240.039062 MB of memory in use. ENERGY: 4518400 3985.0057 20540.3461 14474.8340 266.9652 -203261.6333 2651.7762 0.0000 0.0000 52118.8977 -109223.8086 299.5280 -161342.7062 -108852.9175 300.2763 88.2979 115.1889 762656.8013 -26.9601 -27.1197 PRESSURE: 4518600 324.4 -183.404 -31.6641 -183.404 89.9238 62.4337 -31.6641 62.4342 -359.975 GPRESSURE: 4518600 339.65 -89.3217 -80.6351 -69.9296 91.0527 15.9313 -22.6981 -45.6993 -293.773 PRESSAVG: 4518600 -11.1316 -70.4647 18.3855 -70.4647 4.27986 46.9415 18.3855 46.9415 -18.6963 GPRESSAVG: 4518600 -11.4305 -69.1133 21.9107 -68.6384 3.01583 46.9375 16.3874 46.2667 -17.1895 TIMING: 4518600 CPU: 14337.4, 0.00318009/step Wall: 14337.4, 0.00318009/step, 0.425249 hours remaining, 240.039062 MB of memory in use. ENERGY: 4518600 4075.5597 20553.8450 14428.2803 272.7647 -203528.6010 2762.1038 0.0000 0.0000 52379.0693 -109056.9781 301.0232 -161436.0474 -108698.5945 300.5684 18.1162 45.6432 761032.0250 -8.5160 -8.5347 PRESSURE: 4518800 -286.183 11.8967 -65.3866 11.897 -131.134 -403.041 -65.3871 -403.041 -269.913 GPRESSURE: 4518800 -257.622 -17.0443 -37.9628 49.253 -57.6248 -289.602 5.41811 -436.496 -261.864 PRESSAVG: 4518800 5.38045 18.9569 -9.89638 18.9569 25.8977 39.8304 -9.89637 39.8304 9.51962 GPRESSAVG: 4518800 5.33354 17.7162 -12.5202 18.6977 27.8709 41.229 -8.62733 39.7877 7.76231 TIMING: 4518800 CPU: 14338, 0.00314234/step Wall: 14338, 0.00314234/step, 0.420027 hours remaining, 240.039062 MB of memory in use. ENERGY: 4518800 4079.6434 20593.9483 14558.3827 244.2872 -203937.2869 2733.1342 0.0000 0.0000 52531.6703 -109196.2207 301.9002 -161727.8910 -108834.6801 300.0913 -229.0767 -192.3703 760917.2378 13.5993 13.6556 PRESSURE: 4519000 -38.4311 18.309 237.793 18.3089 -155.001 -183.248 237.792 -183.248 -523.495 GPRESSURE: 4519000 26.7725 -96.6725 103.188 -27.9531 -145.073 -135.626 285.463 18.5199 -507.682 PRESSAVG: 4519000 -29.4327 7.17957 48.0386 7.17956 22.1982 76.0643 48.0387 76.0644 36.5628 GPRESSAVG: 4519000 -29.68 9.01836 48.4152 3.22951 21.3888 74.2611 47.9602 76.8288 37.4277 TIMING: 4519000 CPU: 14338.7, 0.0031698/step Wall: 14338.7, 0.0031698/step, 0.42352 hours remaining, 240.039062 MB of memory in use. ENERGY: 4519000 4071.1298 20470.2787 14483.6627 246.8690 -203027.8626 2156.7805 0.0000 0.0000 52280.0495 -109319.0924 300.4542 -161599.1419 -108956.4836 300.4048 -238.9758 -208.6607 761081.7342 9.7761 9.7122 PRESSURE: 4519200 -308.515 -47.0323 -28.7584 -47.0328 46.0425 -106.725 -28.7588 -106.724 297.894 GPRESSURE: 4519200 -214.958 -58.08 -14.4617 -87.0928 36.7275 -61.6209 -107.868 45.6544 297.218 PRESSAVG: 4519200 -14.3539 37.3842 -25.7085 37.3841 46.959 1.78212 -25.7085 1.78213 -21.5053 GPRESSAVG: 4519200 -14.1322 35.7428 -24.9583 39.5218 46.0006 4.23885 -24.818 0.837366 -21.1289 TIMING: 4519200 CPU: 14339.3, 0.00317121/step Wall: 14339.3, 0.00317121/step, 0.423533 hours remaining, 240.039062 MB of memory in use. ENERGY: 4519200 4006.9197 20572.9679 14511.0372 271.0483 -203223.7470 2400.7252 0.0000 0.0000 51979.2714 -109481.7774 298.7256 -161461.0487 -109120.6354 299.9630 11.8072 39.6627 759743.3205 3.6999 3.5798 PRESSURE: 4519400 58.9504 -53.547 -116.292 -53.5463 25.9901 275.558 -116.291 275.557 -198.47 GPRESSURE: 4519400 19.334 14.8129 -43.2984 -139.07 60.1818 181.153 -69.7339 275.079 -86.8565 PRESSAVG: 4519400 -64.9623 8.88403 -41.094 8.88399 120.35 2.86414 -41.0939 2.86426 16.294 GPRESSAVG: 4519400 -63.693 9.21821 -40.4208 8.51023 120.029 1.92844 -44.6019 2.65609 15.4468 TIMING: 4519400 CPU: 14339.9, 0.00315784/step Wall: 14339.9, 0.00315784/step, 0.421572 hours remaining, 240.039062 MB of memory in use. ENERGY: 4519400 3982.2419 20415.3048 14479.8687 251.0389 -203145.8197 2523.9297 0.0000 0.0000 52109.8938 -109383.5419 299.4763 -161493.4357 -109018.8867 300.2606 -37.8431 -2.4469 760476.5051 23.8939 23.9276 PRESSURE: 4519600 117.003 -16.9787 -64.6221 -16.9776 161.974 -118.385 -64.6224 -118.386 74.9457 GPRESSURE: 4519600 203.107 -127.838 49.7129 13.4689 165.904 -69.2436 -112.557 -87.7847 54.6113 PRESSAVG: 4519600 -15.0056 -5.58846 35.7657 -5.58846 -28.0168 49.0176 35.7657 49.0177 1.3974 GPRESSAVG: 4519600 -16.6222 -5.38805 34.5396 -6.012 -26.0652 47.9681 38.6643 51.9331 1.06683 TIMING: 4519600 CPU: 14340.6, 0.00316469/step Wall: 14340.6, 0.00316469/step, 0.422311 hours remaining, 240.039062 MB of memory in use. ENERGY: 4519600 3975.7223 20512.6227 14469.3186 274.3967 -203279.9457 2688.9138 0.0000 0.0000 51755.9540 -109603.0178 297.4422 -161358.9717 -109238.2477 299.7051 117.9742 141.2073 760545.4515 -13.8750 -13.8735 PRESSURE: 4519800 215.306 -0.803398 -186.994 -0.803232 -155.04 191.047 -186.994 191.046 363.782 GPRESSURE: 4519800 366.123 33.0975 -177.597 72.5955 -181.571 143.285 -131.878 182.355 317.612 PRESSAVG: 4519800 41.1619 -66.6381 -9.02316 -66.6382 28.2724 -20.0551 -9.02313 -20.0551 1.56548 GPRESSAVG: 4519800 41.4054 -67.1797 -9.11771 -65.2456 26.8336 -18.7843 -10.9053 -22.6092 2.81568 TIMING: 4519800 CPU: 14341.2, 0.00315485/step Wall: 14341.2, 0.00315485/step, 0.420822 hours remaining, 240.039062 MB of memory in use. ENERGY: 4519800 3953.7846 20526.5968 14470.1693 238.9595 -203620.7461 2676.3044 0.0000 0.0000 52138.7794 -109616.1522 299.6423 -161754.9315 -109260.3755 298.7549 141.3491 167.3882 759541.8481 23.6666 23.6849 PRESSURE: 4520000 -95.5117 -120.765 -84.0745 -120.765 146.224 -20.4755 -84.0749 -20.476 8.98717 GPRESSURE: 4520000 13.077 -138.344 -92.7694 -150.338 210.289 -42.4218 -68.5141 -105.663 -58.5611 PRESSAVG: 4520000 -20.593 -48.851 -11.2184 -48.8511 17.3457 19.8057 -11.2184 19.8058 46.4801 GPRESSAVG: 4520000 -20.3218 -48.4299 -10.7982 -50.0968 17.6868 19.5604 -9.9046 21.9076 45.4892 TIMING: 4520000 CPU: 14341.8, 0.0031662/step Wall: 14341.8, 0.0031662/step, 0.42216 hours remaining, 240.039062 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: 4520000 3923.7460 20415.1732 14420.1818 251.2720 -203123.9628 2507.2261 0.0000 0.0000 52153.9554 -109452.4081 299.7295 -161606.3636 -109091.8752 299.6971 19.8998 54.9350 760474.4998 14.4109 14.2847 PRESSURE: 4520200 246.367 -187.92 -111.739 -187.92 116.805 46.746 -111.739 46.7475 84.3727 GPRESSURE: 4520200 187.415 -192.26 -99.726 -243.52 234.685 184.357 -45.5361 -147.584 100.861 PRESSAVG: 4520200 41.6942 -28.8532 3.15114 -28.8531 -7.5169 29.2246 3.15117 29.2245 1.73483 GPRESSAVG: 4520200 41.3763 -28.4411 3.87484 -28.7845 -6.75398 28.2242 2.14908 29.0012 1.61067 TIMING: 4520200 CPU: 14342.5, 0.0031486/step Wall: 14342.5, 0.0031486/step, 0.419639 hours remaining, 240.039062 MB of memory in use. ENERGY: 4520200 3988.9225 20559.8140 14526.1311 246.1281 -203087.7551 2377.2594 0.0000 0.0000 51905.1785 -109484.3214 298.2998 -161389.4999 -109130.6016 299.4434 149.1814 174.3205 759517.9093 11.9707 12.0777 LDB: ============= START OF LOAD BALANCING ============== 14354.9 LDB: ============== END OF LOAD BALANCING =============== 14354.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14354.9 LDB: ============= START OF LOAD BALANCING ============== 14355.2 LDB: Largest compute 7077 load 0.034271 is 17.5% of average load 0.195586 LDB: Average compute 0.004373 is 2.2% of average load 0.195586 LDB: TIME 14355.2 LOAD: AVG 0.195586 MAX 0.215907 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.836 MB LDB: TIME 14355.2 LOAD: AVG 0.195586 MAX 0.215907 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.875 MB LDB: TIME 14355.2 LOAD: AVG 0.195586 MAX 0.215907 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.875 MB LDB: ============== END OF LOAD BALANCING =============== 14355.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14355.2 PRESSURE: 4520400 160.235 210.359 -81.2349 210.359 2.88877 -247.406 -81.2357 -247.405 -42.0684 GPRESSURE: 4520400 191.158 117.463 -71.6803 104.353 7.58693 -364.823 -23.0834 -128.947 4.10718 PRESSAVG: 4520400 -18.2992 53.1867 -19.1697 53.1867 12.6072 19.7591 -19.1697 19.7593 -32.8455 GPRESSAVG: 4520400 -17.5755 53.1581 -20.636 52.6783 13.1223 21.5781 -17.8636 18.4545 -33.4991 TIMING: 4520400 CPU: 14343.1, 0.00322206/step Wall: 14343.1, 0.00322206/step, 0.42925 hours remaining, 241.511719 MB of memory in use. ENERGY: 4520400 3922.6794 20461.8413 14584.5866 253.4410 -202941.2435 2129.0947 0.0000 0.0000 52191.5080 -109398.0925 299.9453 -161589.6005 -109038.8813 299.7454 40.3517 67.6173 760447.3132 -12.8458 -12.6508 PRESSURE: 4520600 -140.763 -125.186 -72.4752 -125.186 444.468 -96.1885 -72.4748 -96.1885 -143.757 GPRESSURE: 4520600 -120.6 -204.29 -62.6572 78.6911 454.722 -58.5653 -162.061 76.8075 -99.6304 PRESSAVG: 4520600 -0.64123 -20.2774 -51.125 -20.2774 -35.3748 -7.21246 -51.125 -7.21243 -23.7976 GPRESSAVG: 4520600 -0.91529 -19.5356 -49.0309 -18.9774 -35.8609 -8.65419 -50.2941 -6.42851 -23.3409 TIMING: 4520600 CPU: 14343.7, 0.0031495/step Wall: 14343.7, 0.0031495/step, 0.419409 hours remaining, 241.511719 MB of memory in use. ENERGY: 4520600 3897.8506 20776.2745 14471.6329 253.4847 -203403.2715 2371.0372 0.0000 0.0000 52142.8378 -109490.1538 299.6656 -161632.9916 -109125.7981 300.1480 53.3159 78.1639 760522.8071 -19.9379 -20.0390 PRESSURE: 4520800 -202.233 -44.5856 119.062 -44.5853 226.866 -93.4751 119.061 -93.4755 -16.0275 GPRESSURE: 4520800 -171.131 -99.6113 163.593 42.8507 253.862 -138.551 -27.6222 94.306 -4.89771 PRESSAVG: 4520800 6.94081 -16.8068 -46.4296 -16.8068 3.43852 51.8346 -46.4297 51.8346 -13.3092 GPRESSAVG: 4520800 6.32517 -16.6202 -47.3915 -16.0532 3.1776 53.2303 -48.1691 53.4117 -12.227 TIMING: 4520800 CPU: 14344.4, 0.00314812/step Wall: 14344.4, 0.00314811/step, 0.419049 hours remaining, 241.511719 MB of memory in use. ENERGY: 4520800 4042.3109 20545.2178 14478.4718 247.6381 -203685.6685 2734.7831 0.0000 0.0000 52162.5041 -109474.7427 299.7786 -161637.2468 -109115.3090 299.5515 2.8683 25.9445 760185.1634 -0.9766 -0.9081 PRESSURE: 4521000 -158.163 -58.5172 152.712 -58.517 31.6466 -96.0098 152.712 -96.0101 -217.893 GPRESSURE: 4521000 -121.704 -66.4308 176.613 -76.4515 104.227 -12.5745 23.6282 -165.454 -237.297 PRESSAVG: 4521000 23.7941 -38.8376 -1.84914 -38.8376 22.052 -4.57772 -1.84912 -4.57758 0.801123 GPRESSAVG: 4521000 25.4615 -42.0219 -1.78428 -39.2362 21.5037 -5.11764 -1.52333 -5.61365 -0.449293 TIMING: 4521000 CPU: 14345, 0.00316465/step Wall: 14345, 0.00316465/step, 0.421075 hours remaining, 241.511719 MB of memory in use. ENERGY: 4521000 4028.2591 20701.9578 14483.7404 254.9285 -203360.1176 2541.9142 0.0000 0.0000 52112.1102 -109237.2075 299.4890 -161349.3177 -108878.1632 299.8467 -114.8032 -84.9249 760402.5592 15.5491 15.5053 PRESSURE: 4521200 431.517 157.444 80.7761 157.443 -165.649 41.559 80.7766 41.5594 184.872 GPRESSURE: 4521200 376.507 208.069 123.723 123.93 -24.1228 143.298 -54.9619 30.4062 200.816 PRESSAVG: 4521200 -25.47 -39.8934 13.614 -39.8934 78.0643 -4.47689 13.614 -4.47694 12.4869 GPRESSAVG: 4521200 -27.6622 -38.8048 13.7799 -39.7675 79.3399 -4.53279 13.896 -5.56221 13.3438 TIMING: 4521200 CPU: 14345.6, 0.0031559/step Wall: 14345.6, 0.0031559/step, 0.419734 hours remaining, 241.511719 MB of memory in use. ENERGY: 4521200 3984.1260 20625.9986 14467.5857 226.4694 -203914.2197 2679.2476 0.0000 0.0000 52468.2168 -109462.5756 301.5356 -161930.7924 -109093.0602 300.6823 150.2469 184.3999 757656.7836 21.6937 21.6738 PRESSURE: 4521400 -253.004 32.653 74.0126 32.6523 351.541 -101.22 74.0127 -101.221 101.228 GPRESSURE: 4521400 -142.621 18.4267 103.558 16.6786 389.637 -24.6363 123.727 -64.0476 60.4783 PRESSAVG: 4521400 -52.9286 -43.1838 -11.795 -43.1838 52.5422 -65.6236 -11.7949 -65.6238 -11.3274 GPRESSAVG: 4521400 -51.5552 -42.585 -11.4271 -43.0183 51.8522 -66.2784 -14.1688 -63.717 -12.5129 TIMING: 4521400 CPU: 14346.3, 0.00315009/step Wall: 14346.3, 0.00315009/step, 0.418787 hours remaining, 241.511719 MB of memory in use. ENERGY: 4521400 4056.0527 20617.0142 14496.2263 231.0157 -203389.9338 2399.0106 0.0000 0.0000 52050.9573 -109539.6570 299.1376 -161590.6143 -109170.6372 299.8960 66.5881 102.4982 759343.4730 -3.9046 -4.0720 PRESSURE: 4521600 193.52 109.302 130.183 109.303 219.606 30.7043 130.184 30.7033 206.479 GPRESSURE: 4521600 233.556 96.5 61.6581 104.451 246.468 26.0041 56.5552 128.101 219.884 PRESSAVG: 4521600 -14.5439 -29.3656 31.3505 -29.3657 56.3866 -7.62533 31.3505 -7.62542 -7.24297 GPRESSAVG: 4521600 -14.3441 -29.8065 30.9775 -30.1446 55.9644 -7.70871 33.9947 -6.99991 -7.08886 TIMING: 4521600 CPU: 14346.9, 0.00317442/step Wall: 14346.9, 0.00317442/step, 0.421846 hours remaining, 241.511719 MB of memory in use. ENERGY: 4521600 3986.0536 20519.2504 14499.0279 226.8266 -203548.0257 2609.0318 0.0000 0.0000 52145.9578 -109561.8776 299.6835 -161707.8354 -109185.8856 299.3206 206.5347 233.3027 759894.1718 11.5332 11.5105 PRESSURE: 4521800 138.846 36.3784 -229.836 36.3793 473.521 -150.89 -229.836 -150.89 -399.229 GPRESSURE: 4521800 211.223 94.1261 -230.895 66.2915 484.411 -155.718 -263.973 -79.7097 -404.614 PRESSAVG: 4521800 27.3589 -14.7249 -9.66553 -14.7248 -12.1499 -14.9708 -9.66558 -14.9708 8.72288 GPRESSAVG: 4521800 26.6019 -13.0733 -9.2952 -14.8894 -11.8467 -15.4584 -10.839 -14.432 8.92821 TIMING: 4521800 CPU: 14347.5, 0.00318857/step Wall: 14347.5, 0.00318857/step, 0.423549 hours remaining, 241.511719 MB of memory in use. ENERGY: 4521800 4012.4307 20523.5957 14433.9364 244.1817 -203486.9137 2548.5784 0.0000 0.0000 52415.3581 -109308.8327 301.2318 -161724.1907 -108941.0392 299.8973 71.0460 97.0064 760659.2093 7.9773 7.8945 PRESSURE: 4522000 77.7718 -25.57 -55.7456 -25.5698 50.3341 186.41 -55.7462 186.41 -64.4531 GPRESSURE: 4522000 105.393 -132.457 -37.551 57.6709 59.0723 97.4899 -44.7976 326.917 -17.5179 PRESSAVG: 4522000 41.5385 37.2322 -9.18978 37.2321 10.3907 -0.453381 -9.18983 -0.453401 -25.9423 GPRESSAVG: 4522000 40.5637 38.2799 -10.7464 38.0729 11.553 -1.61177 -8.52792 -0.826139 -25.9563 TIMING: 4522000 CPU: 14348.2, 0.00317065/step Wall: 14348.2, 0.00317065/step, 0.420992 hours remaining, 241.511719 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: 4522000 4086.0986 20677.3948 14489.8805 249.0871 -203885.9284 2629.4007 0.0000 0.0000 52253.4680 -109500.5988 300.3014 -161754.0668 -109129.0241 300.4172 21.2176 48.9823 760075.3374 8.6623 8.7202 PRESSURE: 4522200 -533.838 190.083 -285.199 190.083 -367.528 -9.45904 -285.2 -9.45893 122.786 GPRESSURE: 4522200 -433.127 192.369 -292.477 60.987 -369.634 -16.5595 -333.559 -180.659 107.711 PRESSAVG: 4522200 -0.925107 -7.33496 -3.95411 -7.33499 -36.2606 3.85055 -3.95415 3.85042 18.2441 GPRESSAVG: 4522200 -0.773117 -8.0031 -2.79841 -8.31946 -37.4008 5.8417 -5.83464 2.37187 20.029 TIMING: 4522200 CPU: 14348.8, 0.00316544/step Wall: 14348.8, 0.00316544/step, 0.420124 hours remaining, 241.511719 MB of memory in use. ENERGY: 4522200 3959.9713 20619.9828 14487.8273 268.0206 -203476.6091 2408.4888 0.0000 0.0000 52266.0566 -109466.2618 300.3737 -161732.3183 -109099.1686 299.9417 -259.5266 -231.6834 762079.9792 -6.3139 -6.0483 PRESSURE: 4522400 30.9925 122.263 -187.21 122.264 160.7 33.8769 -187.211 33.8774 294.124 GPRESSURE: 4522400 105.787 162.576 -124.732 199.379 176.343 -23.4184 -32.0361 78.9234 300.267 PRESSAVG: 4522400 -14.6983 0.96613 13.3654 0.966157 0.754741 -17.8661 13.3654 -17.866 13.7732 GPRESSAVG: 4522400 -13.8009 -0.419042 14.1154 1.21951 0.250359 -18.8333 14.0462 -17.239 13.2717 TIMING: 4522400 CPU: 14349.4, 0.00314834/step Wall: 14349.4, 0.00314834/step, 0.41768 hours remaining, 241.511719 MB of memory in use. ENERGY: 4522400 4009.8818 20643.1212 14547.6667 236.0657 -203860.7741 2940.2001 0.0000 0.0000 52002.7871 -109481.0516 298.8607 -161483.8387 -109117.6799 299.6585 161.9390 194.1323 759956.6280 -0.0568 -0.0929 PRESSURE: 4522600 -329.605 -54.5011 -97.6612 -54.5018 -81.2289 -234.992 -97.6615 -234.992 435.618 GPRESSURE: 4522600 -119.858 -117.184 -100.976 -63.1936 -183.893 -188.973 19.0994 -280.628 397.732 PRESSAVG: 4522600 -19.6074 7.36391 -72.589 7.36389 35.0882 -25.5089 -72.589 -25.509 26.1751 GPRESSAVG: 4522600 -19.3687 8.38807 -72.1067 7.53009 34.9802 -25.1597 -72.5948 -25.3846 25.2258 TIMING: 4522600 CPU: 14350.1, 0.00315407/step Wall: 14350.1, 0.00315407/step, 0.418265 hours remaining, 241.511719 MB of memory in use. ENERGY: 4522600 3993.7351 20532.7463 14468.7146 243.5605 -203562.8371 2494.4244 0.0000 0.0000 52420.4380 -109409.2181 301.2610 -161829.6561 -109042.1196 300.1228 8.2613 31.3271 761002.8538 13.8853 13.6124 PRESSURE: 4522800 -34.5018 -43.4295 -32.0051 -43.4287 343.629 -73.925 -32.0063 -73.9244 -98.6764 GPRESSURE: 4522800 -21.6198 -34.5601 2.79715 -145.093 298.73 -37.0558 -99.1033 -122.193 -16.9918 PRESSAVG: 4522800 24.3346 43.3612 -76.0471 43.3613 -33.0587 -0.219265 -76.0471 -0.219234 -13.126 GPRESSAVG: 4522800 23.4414 43.5323 -76.9206 43.8584 -33.0516 -0.542901 -78.1387 -1.11316 -12.0161 TIMING: 4522800 CPU: 14350.7, 0.00313917/step Wall: 14350.7, 0.00313917/step, 0.416114 hours remaining, 241.511719 MB of memory in use. ENERGY: 4522800 3923.0959 20569.0692 14534.0951 248.9546 -203583.5871 2579.8880 0.0000 0.0000 52116.4385 -109612.0457 299.5139 -161728.4842 -109247.3429 299.8937 70.1503 86.7061 761290.1744 -7.2834 -7.2088 PRESSURE: 4523000 256.973 -99.1539 -56.4825 -99.1528 -140.208 5.90166 -56.482 5.90117 78.6875 GPRESSURE: 4523000 251.799 -193.336 -8.12436 -7.34198 -66.2986 39.1621 -83.8418 -155.046 91.6118 PRESSAVG: 4523000 72.3941 35.1471 -50.4385 35.1471 -36.9953 -1.30116 -50.4385 -1.30121 -19.6576 GPRESSAVG: 4523000 72.2333 34.1026 -50.2818 35.8528 -37.036 -0.794028 -47.7412 0.457748 -19.5956 TIMING: 4523000 CPU: 14351.3, 0.00313737/step Wall: 14351.3, 0.00313737/step, 0.415701 hours remaining, 241.511719 MB of memory in use. ENERGY: 4523000 3907.5717 20454.9440 14533.5193 242.5068 -203261.3185 2426.2283 0.0000 0.0000 51909.7886 -109786.7599 298.3263 -161696.5485 -109425.7999 299.1374 65.1510 92.3706 760753.4490 5.2470 5.2006 PRESSURE: 4523200 19.9325 180.096 60.1103 180.095 52.118 54.0339 60.1095 54.0342 201.843 GPRESSURE: 4523200 40.5518 139.764 52.5076 56.6843 107.851 29.5093 14.5544 -54.9879 217.607 PRESSAVG: 4523200 54.4099 27.4235 -25.4329 27.4235 -55.1348 14.6092 -25.4329 14.6092 24.7657 GPRESSAVG: 4523200 53.9323 27.6679 -24.8269 27.4073 -53.401 14.7278 -26.9287 11.3491 23.3966 TIMING: 4523200 CPU: 14351.9, 0.00314693/step Wall: 14351.9, 0.00314693/step, 0.416793 hours remaining, 241.511719 MB of memory in use. ENERGY: 4523200 3910.2926 20424.6029 14506.6592 244.9491 -203276.7828 2418.5845 0.0000 0.0000 51981.0889 -109790.6057 298.7360 -161771.6946 -109437.5048 298.9545 91.2977 122.0033 759810.3459 8.0136 7.9760 PRESSURE: 4523400 -245.02 -26.4104 55.8448 -26.4109 85.6959 100.457 55.8447 100.458 -103.224 GPRESSURE: 4523400 -198.949 -73.5737 -40.5191 -50.0574 107.246 43.0197 -69.7314 160.599 -72.4301 PRESSAVG: 4523400 33.7531 0.366945 -45.5769 0.366965 -5.02503 10.8183 -45.577 10.8182 19.8156 GPRESSAVG: 4523400 34.2147 0.592698 -46.2631 -1.04257 -5.64295 9.48019 -43.9902 14.1616 20.3039 TIMING: 4523400 CPU: 14352.6, 0.00313581/step Wall: 14352.6, 0.0031358/step, 0.415146 hours remaining, 241.511719 MB of memory in use. ENERGY: 4523400 3945.7080 20425.1165 14448.2459 233.4889 -203358.3449 2210.3307 0.0000 0.0000 52092.8390 -110002.6159 299.3783 -162095.4549 -109641.5488 298.6887 -87.5159 -54.7113 761122.8721 16.1812 16.2919 PRESSURE: 4523600 100.645 -202.298 22.6069 -202.298 -252.204 -79.7941 22.6064 -79.7937 -360.639 GPRESSURE: 4523600 165.933 -124.499 55.6961 -144.862 -280.694 -133.179 36.7607 -34.1237 -303.144 PRESSAVG: 4523600 16.0869 -13.2066 -15.2452 -13.2065 -7.09415 7.65035 -15.2453 7.65046 5.52489 GPRESSAVG: 4523600 16.3408 -12.7979 -15.0538 -13.6816 -7.63979 8.52053 -17.2761 8.94963 6.3007 TIMING: 4523600 CPU: 14353.2, 0.00312743/step Wall: 14353.2, 0.00312743/step, 0.413864 hours remaining, 241.511719 MB of memory in use. ENERGY: 4523600 4001.5772 20471.8958 14551.6277 231.8460 -203205.9499 2224.1104 0.0000 0.0000 51706.0169 -110018.8760 297.1552 -161724.8929 -109656.3050 298.3785 -170.7326 -139.3019 760982.3402 4.8392 5.0006 PRESSURE: 4523800 187.129 -141.409 -39.4473 -141.407 6.70393 -148.786 -39.4476 -148.785 -22.3098 GPRESSURE: 4523800 105.373 -217.619 -67.6866 -117.44 101.017 -182.957 -62.635 -125.526 42.5187 PRESSAVG: 4523800 27.5862 -50.1615 -9.76661 -50.1615 -0.267962 14.0005 -9.76671 14.0005 4.89833 GPRESSAVG: 4523800 26.8658 -50.907 -9.8579 -49.629 1.23991 14.051 -9.10663 11.8311 3.98796 TIMING: 4523800 CPU: 14353.8, 0.00315124/step Wall: 14353.8, 0.00315124/step, 0.416839 hours remaining, 241.511719 MB of memory in use. ENERGY: 4523800 3992.1809 20525.2714 14470.6618 238.2782 -204140.6918 2894.2387 0.0000 0.0000 51885.7410 -110134.3199 298.1881 -162020.0609 -109773.2679 298.2873 57.1744 82.9695 759765.1446 10.7389 10.6979 PRESSURE: 4524000 -5.03627 207.546 -160.871 207.546 316.211 -86.2016 -160.871 -86.2026 135.303 GPRESSURE: 4524000 20.1186 161.324 -178.735 127.197 356.387 -146.45 -8.95025 0.414545 143.685 PRESSAVG: 4524000 14.9487 -35.3901 -2.18765 -35.39 30.9369 -16.3981 -2.18763 -16.3982 26.4904 GPRESSAVG: 4524000 16.5403 -35.2031 -1.46887 -36.4187 30.1368 -16.2677 -0.841058 -17.5329 25.7647 TIMING: 4524000 CPU: 14354.5, 0.00313753/step Wall: 14354.5, 0.00313753/step, 0.414851 hours remaining, 241.511719 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: 4524000 3939.1764 20404.7220 14458.9218 236.8756 -203668.2156 2596.2676 0.0000 0.0000 51938.9978 -110093.2544 298.4941 -162032.2522 -109725.7584 298.4165 148.8258 173.3968 758961.3073 24.1253 24.1472 PRESSURE: 4524200 126.596 228.969 73.8722 228.968 -57.535 31.418 73.8728 31.4186 30.1716 GPRESSURE: 4524200 82.5045 168.678 79.1558 224.775 -17.9681 -12.9177 -167.614 32.3278 140.347 PRESSAVG: 4524200 16.5196 51.0895 -48.3513 51.0894 15.8849 -34.8288 -48.3512 -34.8288 -18.4439 GPRESSAVG: 4524200 15.6251 52.8604 -47.872 50.14 15.8399 -33.6211 -49.6115 -33.5805 -17.4146 TIMING: 4524200 CPU: 14355.1, 0.00312967/step Wall: 14355.1, 0.00312967/step, 0.413639 hours remaining, 241.511719 MB of memory in use. ENERGY: 4524200 3924.6570 20401.8038 14500.3000 249.4759 -203750.4891 2587.7620 0.0000 0.0000 51897.4402 -110189.0502 298.2553 -162086.4904 -109837.2567 298.3289 33.0775 68.2943 758674.2491 4.6535 4.6835 LDB: ============= START OF LOAD BALANCING ============== 14367.5 LDB: ============== END OF LOAD BALANCING =============== 14367.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14367.5 LDB: ============= START OF LOAD BALANCING ============== 14367.8 LDB: Largest compute 7060 load 0.033214 is 17.0% of average load 0.195531 LDB: Average compute 0.004385 is 2.2% of average load 0.195531 LDB: TIME 14367.9 LOAD: AVG 0.195531 MAX 0.21708 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 14367.9 LOAD: AVG 0.195531 MAX 0.21708 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: TIME 14367.9 LOAD: AVG 0.195531 MAX 0.21708 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.578 MB LDB: ============== END OF LOAD BALANCING =============== 14367.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14367.9 PRESSURE: 4524400 -365.292 70.6779 -26.4585 70.6774 -309.416 -6.78937 -26.4588 -6.79017 -100.556 GPRESSURE: 4524400 -233.401 -105.531 -25.0599 47.2779 -292.963 32.8022 -39.4208 7.50892 -139.233 PRESSAVG: 4524400 24.6476 -35.917 -16.1803 -35.917 -67.0844 -28.3633 -16.1803 -28.3634 3.11309 GPRESSAVG: 4524400 25.6405 -39.9777 -19.2473 -32.581 -66.8028 -27.3077 -16.9983 -29.1477 2.24338 TIMING: 4524400 CPU: 14355.7, 0.00320106/step Wall: 14355.7, 0.00320106/step, 0.422896 hours remaining, 241.316406 MB of memory in use. ENERGY: 4524400 3947.6254 20375.8853 14406.5595 249.9639 -202918.3528 2048.7041 0.0000 0.0000 51752.1713 -110137.4433 297.4204 -161889.6146 -109775.5510 298.0417 -258.4214 -221.8657 762199.5606 -13.1079 -12.9730 PRESSURE: 4524600 -187.043 -93.0668 57.1142 -93.0671 -40.6927 260.565 57.115 260.565 -59.3446 GPRESSURE: 4524600 -224.147 -49.4177 61.305 -96.1877 23.3691 206.391 -124.167 140.216 -6.34017 PRESSAVG: 4524600 49.7812 -27.1997 -0.821773 -27.1997 -48.0644 -16.571 -0.821712 -16.5711 15.3929 GPRESSAVG: 4524600 49.7473 -22.5771 0.824311 -32.1358 -48.3031 -19.466 0.835911 -18.0496 15.8093 TIMING: 4524600 CPU: 14356.3, 0.0031082/step Wall: 14356.3, 0.0031082/step, 0.410456 hours remaining, 241.519531 MB of memory in use. ENERGY: 4524600 3864.9616 20354.2568 14396.3567 237.3970 -203394.1198 2293.9106 0.0000 0.0000 52154.1641 -110093.0730 299.7307 -162247.2371 -109724.1111 297.9749 -95.6936 -69.0395 760605.1346 5.7032 5.7512 PRESSURE: 4524800 -257.76 -185.888 139.076 -185.888 44.2092 -277.343 139.076 -277.343 -112.146 GPRESSURE: 4524800 -187.311 -291.802 224.146 -30.7876 32.1971 -289.239 -35.6426 -149.541 -79.4595 PRESSAVG: 4524800 -8.54465 -23.005 -14.1784 -23.005 10.7843 -16.3691 -14.1783 -16.3691 -8.7939 GPRESSAVG: 4524800 -8.65027 -24.6013 -13.9017 -18.5319 9.84805 -15.7238 -16.3544 -12.6414 -7.97796 TIMING: 4524800 CPU: 14357, 0.0031249/step Wall: 14357, 0.0031249/step, 0.412487 hours remaining, 241.519531 MB of memory in use. ENERGY: 4524800 3959.9683 20471.9886 14526.0832 243.4257 -203440.4062 2471.5699 0.0000 0.0000 51977.6341 -109789.7364 298.7162 -161767.3705 -109426.3975 298.7743 -108.5656 -78.1911 759867.3430 -2.1847 -2.2601 PRESSURE: 4525000 -208.016 -16.2592 112.505 -16.2586 -71.3927 68.0949 112.504 68.0956 -122.682 GPRESSURE: 4525000 -74.3332 21.4543 71.0164 -76.3057 -143.844 74.828 -19.598 129.993 -99.196 PRESSAVG: 4525000 -60.2429 -35.3825 9.64037 -35.3825 11.4379 14.5364 9.64037 14.5364 5.90013 GPRESSAVG: 4525000 -60.3884 -35.5288 8.63293 -37.5387 12.5177 15.1433 10.3052 11.3743 5.27177 TIMING: 4525000 CPU: 14357.6, 0.003124/step Wall: 14357.6, 0.003124/step, 0.412194 hours remaining, 241.519531 MB of memory in use. ENERGY: 4525000 3993.9937 20353.2770 14529.8487 262.8056 -203248.9162 2195.4712 0.0000 0.0000 52117.7571 -109795.7629 299.5215 -161913.5200 -109437.4072 298.9484 -134.0304 -105.7909 761406.1380 -14.3016 -14.1996 PRESSURE: 4525200 303.151 18.1417 14.5034 18.1429 329.817 135.091 14.5031 135.091 -32.9775 GPRESSURE: 4525200 336.026 -9.00916 51.2216 -80.3096 391.822 50.6454 -39.032 154.045 -14.9362 PRESSAVG: 4525200 -13.3231 -93.8949 -10.1865 -93.8948 14.437 -41.5337 -10.1866 -41.5337 5.79184 GPRESSAVG: 4525200 -12.982 -92.4065 -9.99786 -92.2488 13.9935 -40.9251 -8.95616 -42.3577 6.58721 TIMING: 4525200 CPU: 14358.2, 0.00313651/step Wall: 14358.2, 0.00313651/step, 0.413671 hours remaining, 241.519531 MB of memory in use. ENERGY: 4525200 4084.3322 20370.8376 14488.1701 230.9971 -203625.0660 2737.9953 0.0000 0.0000 52092.2580 -109620.4757 299.3749 -161712.7337 -109257.2719 299.2154 199.9969 237.6374 759023.3373 2.3019 2.5329 PRESSURE: 4525400 -432.94 -310.663 133.762 -310.663 14.1524 -133.428 133.762 -133.428 -0.934482 GPRESSURE: 4525400 -333.735 -295.493 57.968 -293.695 3.24927 -96.9814 116.725 -97.8972 -7.01601 PRESSAVG: 4525400 -25.6617 -82.3326 4.83798 -82.3326 67.2789 -65.4874 4.83794 -65.4875 -1.12092 GPRESSAVG: 4525400 -26.7288 -83.641 4.34519 -82.2393 67.8845 -65.9308 6.93121 -63.9161 -1.27853 TIMING: 4525400 CPU: 14358.9, 0.00314981/step Wall: 14358.9, 0.00314981/step, 0.41525 hours remaining, 241.519531 MB of memory in use. ENERGY: 4525400 3991.5307 20368.9294 14517.0750 277.1449 -203397.4680 2452.5877 0.0000 0.0000 52134.7135 -109655.4867 299.6189 -161790.2003 -109295.7472 299.6879 -139.9075 -112.5007 760362.8344 13.4988 13.2924 PRESSURE: 4525600 -452.746 -46.1305 376.386 -46.1308 -232.572 246.833 376.386 246.832 -344.635 GPRESSURE: 4525600 -484.408 -64.2248 341.946 -106.983 -156.397 204.223 170.279 301.258 -301.375 PRESSAVG: 4525600 -42.4098 -81.5211 39.939 -81.5211 30.937 -6.82595 39.9389 -6.82591 4.31033 GPRESSAVG: 4525600 -41.0056 -78.8182 39.1248 -83.89 30.8558 -8.14724 37.4049 -6.77718 3.05431 TIMING: 4525600 CPU: 14359.5, 0.00313625/step Wall: 14359.5, 0.00313625/step, 0.413288 hours remaining, 241.519531 MB of memory in use. ENERGY: 4525600 4024.6127 20634.0657 14515.8028 249.7975 -203075.8607 2302.9262 0.0000 0.0000 52030.1508 -109318.5051 299.0180 -161348.6560 -108955.4262 299.5780 -343.3176 -314.0600 762252.3820 -2.3875 -2.3652 PRESSURE: 4525800 -153.679 20.0606 -209.438 20.0601 -115.251 -76.9212 -209.438 -76.9213 -341.702 GPRESSURE: 4525800 -163.147 69.01 -223.816 106.154 -34.4019 -111.493 -174.565 -127.852 -337.053 PRESSAVG: 4525800 -0.310236 10.8536 12.1808 10.8536 -5.73134 82.7295 12.1808 82.7296 -19.2907 GPRESSAVG: 4525800 0.396615 7.86714 12.1158 12.0686 -6.11589 84.4373 13.2225 83.7039 -18.9659 TIMING: 4525800 CPU: 14360.1, 0.003155/step Wall: 14360.1, 0.003155/step, 0.415584 hours remaining, 241.519531 MB of memory in use. ENERGY: 4525800 3983.8520 20537.3503 14487.6827 242.0631 -203101.7213 2195.9327 0.0000 0.0000 52492.7083 -109162.1322 301.6763 -161654.8405 -108796.8968 300.3636 -203.5440 -178.2009 760889.0370 -8.4441 -8.2284 PRESSURE: 4526000 211.505 72.7205 -213.372 72.7207 -34.595 -151.839 -213.372 -151.841 -75.2946 GPRESSURE: 4526000 230.848 -19.012 -165.964 -32.3825 -47.7336 -186.952 -225.112 -152.502 -3.53226 PRESSAVG: 4526000 12.4731 -27.9189 0.914113 -27.9189 -18.9175 2.01247 0.914167 2.01248 11.8818 GPRESSAVG: 4526000 10.6147 -26.1023 3.9077 -27.8845 -17.2083 2.64991 -1.07205 0.501223 11.9519 TIMING: 4526000 CPU: 14360.7, 0.00314838/step Wall: 14360.7, 0.00314839/step, 0.414537 hours remaining, 241.519531 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: 4526000 3982.4003 20636.0744 14485.2886 242.2608 -203479.5454 2611.3721 0.0000 0.0000 52360.7506 -109161.3987 300.9180 -161522.1492 -108801.2346 299.9765 33.8718 59.8607 760775.0151 1.8125 1.7861 PRESSURE: 4526200 -210.104 -125.213 -33.2778 -125.214 -87.2249 145.12 -33.2783 145.12 106.22 GPRESSURE: 4526200 -75.8146 -167.783 99.4124 -137.916 -100.165 140.907 47.2339 113.109 70.2297 PRESSAVG: 4526200 20.8268 27.7614 65.9548 27.7614 -33.4707 0.21082 65.9549 0.210849 31.1104 GPRESSAVG: 4526200 22.9136 28.2414 64.7224 26.905 -33.9977 -1.4981 68.2546 3.24091 30.2422 TIMING: 4526200 CPU: 14361.4, 0.00313916/step Wall: 14361.4, 0.00313916/step, 0.413148 hours remaining, 241.519531 MB of memory in use. ENERGY: 4526200 4000.2086 20572.0901 14455.5748 237.9222 -203252.3545 2537.0069 0.0000 0.0000 52185.7761 -109263.7758 299.9124 -161449.5519 -108908.6108 300.0965 -63.7028 -35.2498 761833.7749 6.1555 6.3860 PRESSURE: 4526400 -52.3456 -144.288 -159.779 -144.29 59.5549 -29.5675 -159.779 -29.5682 -360.319 GPRESSURE: 4526400 1.5003 -98.9515 -200.841 -189.422 71.8513 -18.772 -135.85 -92.126 -329.455 PRESSAVG: 4526400 4.59872 31.6694 25.9703 31.6694 41.2566 20.3434 25.9703 20.3435 -26.6709 GPRESSAVG: 4526400 4.2061 29.5561 27.8595 33.856 40.22 21.3344 25.217 21.4662 -24.9103 TIMING: 4526400 CPU: 14362, 0.00313635/step Wall: 14362, 0.00313635/step, 0.412604 hours remaining, 241.519531 MB of memory in use. ENERGY: 4526400 4018.9546 20535.9365 14472.5533 250.0564 -203440.7374 2720.9753 0.0000 0.0000 51976.3024 -109465.9588 298.7085 -161442.2612 -109113.0000 299.7887 -117.7032 -85.3677 762019.7426 6.3948 6.5053 PRESSURE: 4526600 -315.11 8.59332 73.8875 8.59388 29.1279 109.731 73.8872 109.73 77.7676 GPRESSURE: 4526600 -315.721 18.1855 32.0527 -27.4682 200.3 60.6301 125.646 -54.7192 7.60461 PRESSAVG: 4526600 -67.88 14.5537 2.83841 14.5536 38.4536 27.3909 2.83844 27.3909 27.9969 GPRESSAVG: 4526600 -67.9086 15.6297 0.990685 13.0644 39.7752 26.7068 2.11578 24.1006 26.4627 TIMING: 4526600 CPU: 14362.6, 0.00314676/step Wall: 14362.6, 0.00314676/step, 0.413799 hours remaining, 241.519531 MB of memory in use. ENERGY: 4526600 3982.5714 20542.9733 14454.6619 225.7849 -203546.4177 2525.8649 0.0000 0.0000 52419.9957 -109394.5656 301.2584 -161814.5613 -109033.5273 299.7280 -69.4049 -35.9390 759818.8837 -0.4765 -0.5569 PRESSURE: 4526800 84.8453 -62.3038 7.37556 -62.303 417.626 -149.508 7.37666 -149.508 33.3394 GPRESSURE: 4526800 193.67 -93.9472 136.509 83.8843 365.061 -168.054 103.796 -189.098 55.2856 PRESSAVG: 4526800 -43.0556 -6.70293 25.9198 -6.70293 17.0677 -37.0255 25.9198 -37.0255 16.6274 GPRESSAVG: 4526800 -43.7506 -8.20747 26.1052 -5.14706 16.6405 -36.522 29.725 -35.8903 17.2107 TIMING: 4526800 CPU: 14363.3, 0.00316771/step Wall: 14363.3, 0.00316771/step, 0.416378 hours remaining, 241.519531 MB of memory in use. ENERGY: 4526800 4039.7633 20571.0652 14443.3661 235.2835 -203720.0211 2755.7194 0.0000 0.0000 52227.5518 -109447.2718 300.1525 -161674.8236 -109099.9395 300.2426 178.6037 204.6721 758222.7726 -3.1202 -3.2998 PRESSURE: 4527000 -0.00630037 4.47071 207.479 4.47156 -176.472 -43.4301 207.479 -43.4309 -74.8881 GPRESSURE: 4527000 -8.13464 2.59717 182.193 32.0724 -77.3953 6.58267 203.005 12.5464 -74.6313 PRESSAVG: 4527000 -6.26759 -3.23533 -6.02241 -3.23524 9.30386 56.4359 -6.02238 56.4359 5.01947 GPRESSAVG: 4527000 -6.52155 -1.75186 -5.57851 -4.25368 9.22376 55.7329 -7.58031 56.3779 4.98085 TIMING: 4527000 CPU: 14363.9, 0.00314735/step Wall: 14363.9, 0.00314735/step, 0.413527 hours remaining, 241.519531 MB of memory in use. ENERGY: 4527000 4055.3185 20401.0834 14552.9137 268.9285 -203183.7169 2390.9366 0.0000 0.0000 51893.2898 -109621.2465 298.2314 -161514.5363 -109260.4302 299.6102 -83.7889 -53.3871 759130.0195 2.6852 2.5610 PRESSURE: 4527200 -121.49 161.778 36.7732 161.779 -32.9019 53.3908 36.7736 53.3915 -121.978 GPRESSURE: 4527200 -55.1001 151.813 49.1266 192.322 -16.6122 82.1866 -10.4253 63.533 -125.881 PRESSAVG: 4527200 23.5957 29.2578 -36.4306 29.2578 -0.173813 47.6606 -36.4306 47.6605 -10.4338 GPRESSAVG: 4527200 23.8673 28.0077 -37.2071 30.0354 -1.01217 48.5319 -39.5297 47.4791 -10.3716 TIMING: 4527200 CPU: 14364.5, 0.00314241/step Wall: 14364.5, 0.00314241/step, 0.412703 hours remaining, 241.519531 MB of memory in use. ENERGY: 4527200 4005.0333 20495.3635 14471.9575 260.1157 -203257.2880 2396.1959 0.0000 0.0000 52218.6894 -109409.9327 300.1015 -161628.6221 -109041.1362 299.4829 -92.1233 -65.8645 760228.1215 4.3294 4.1612 PRESSURE: 4527400 86.7648 -13.8857 90.4505 -13.8857 260.027 72.1591 90.4498 72.1583 189.913 GPRESSURE: 4527400 139.482 37.8935 123.525 16.7616 334.706 -38.1039 36.9446 130.755 170.047 PRESSAVG: 4527400 16.7433 34.8511 32.0283 34.851 -19.3404 4.75409 32.0283 4.75403 -8.96687 GPRESSAVG: 4527400 16.8733 36.758 31.3319 34.2994 -19.7918 4.86911 33.8066 3.1379 -8.97515 TIMING: 4527400 CPU: 14365.1, 0.00312424/step Wall: 14365.1, 0.00312424/step, 0.410143 hours remaining, 241.519531 MB of memory in use. ENERGY: 4527400 3987.9767 20355.6303 14449.3291 243.8725 -203247.6180 2441.0776 0.0000 0.0000 52446.9918 -109322.7399 301.4136 -161769.7317 -108946.4571 300.0769 178.9014 214.7448 758166.6730 -3.8547 -3.9645 PRESSURE: 4527600 -378.434 -168.04 -163.709 -168.04 -283.066 217.711 -163.709 217.712 -214.547 GPRESSURE: 4527600 -374.198 -124.613 -182.943 -155.427 -263.707 250.765 -75.1635 73.7496 -145.788 PRESSAVG: 4527600 26.5631 -22.6611 -23.3173 -22.6611 53.6857 38.3163 -23.3172 38.3163 -5.85956 GPRESSAVG: 4527600 24.7791 -24.1518 -21.9684 -22.4925 55.0267 37.4023 -20.5209 37.8908 -4.96928 TIMING: 4527600 CPU: 14365.8, 0.00313151/step Wall: 14365.8, 0.00313151/step, 0.410924 hours remaining, 241.519531 MB of memory in use. ENERGY: 4527600 4081.4645 20645.4843 14441.3124 232.3253 -202689.0431 2002.5757 0.0000 0.0000 52013.4094 -109272.4715 298.9218 -161285.8809 -108922.9770 300.2721 -292.0157 -261.2310 760379.6055 24.7964 24.9455 PRESSURE: 4527800 -75.9031 51.9746 -41.6618 51.9739 -143.649 -60.1902 -41.6616 -60.1912 239.765 GPRESSURE: 4527800 -33.262 -17.5729 -51.6581 8.22445 -56.5755 -77.011 139.856 36.9282 186.259 PRESSAVG: 4527800 -48.8489 -30.2336 -22.8536 -30.2337 1.47235 -2.78082 -22.8536 -2.78082 -6.59833 GPRESSAVG: 4527800 -48.5623 -29.4131 -23.3062 -30.1583 0.0447762 -3.33009 -23.3017 1.233 -5.67418 TIMING: 4527800 CPU: 14366.4, 0.00314514/step Wall: 14366.4, 0.00314514/step, 0.412537 hours remaining, 241.519531 MB of memory in use. ENERGY: 4527800 4036.0725 20388.6579 14498.0351 253.3925 -202834.8492 2031.2230 0.0000 0.0000 52259.2918 -109368.1763 300.3349 -161627.4682 -108991.1310 299.8629 6.7373 32.1405 759924.7388 -17.9916 -18.0639 PRESSURE: 4528000 99.1231 1.13353 171.507 1.13287 -90.2959 283.406 171.508 283.406 115.822 GPRESSURE: 4528000 101.245 75.1321 154.019 -13.0599 -42.5688 282.995 27.5422 104.785 152.747 PRESSAVG: 4528000 13.6311 -6.90924 8.237 -6.90923 -1.52108 46.1648 8.23702 46.1649 -9.82684 GPRESSAVG: 4528000 14.0188 -8.52662 8.65975 -7.49302 -0.111382 47.19 6.62448 43.5551 -10.9973 TIMING: 4528000 CPU: 14367, 0.00314138/step Wall: 14367, 0.00314138/step, 0.411869 hours remaining, 241.519531 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: 4528000 3983.2090 20649.1375 14463.0716 243.0518 -203507.3284 2617.3762 0.0000 0.0000 52169.4085 -109382.0738 299.8183 -161551.4823 -109026.7058 299.6656 41.5496 70.4743 760744.8565 0.7610 0.9701 PRESSURE: 4528200 26.7091 -100.788 -170.226 -100.789 -33.123 66.275 -170.226 66.2742 67.3002 GPRESSURE: 4528200 160.499 -84.126 -132.184 5.34053 -56.6403 79.2808 -189.434 136.223 53.743 PRESSAVG: 4528200 22.4129 4.30857 20.9221 4.30858 -45.5903 13.9642 20.9222 13.9643 23.5429 GPRESSAVG: 4528200 22.3791 5.32776 21.5278 4.29945 -46.2028 13.5419 21.1104 13.8581 23.914 TIMING: 4528200 CPU: 14367.7, 0.00313867/step Wall: 14367.7, 0.00313867/step, 0.411341 hours remaining, 241.519531 MB of memory in use. ENERGY: 4528200 3985.3931 20597.3368 14476.1764 226.6600 -203476.5258 2596.5738 0.0000 0.0000 52102.2901 -109492.0956 299.4326 -161594.3856 -109134.1873 299.8786 20.2955 52.5338 761292.6992 0.1218 0.0301 LDB: ============= START OF LOAD BALANCING ============== 14380.1 LDB: ============== END OF LOAD BALANCING =============== 14380.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.1 LDB: ============= START OF LOAD BALANCING ============== 14380.4 LDB: Largest compute 7045 load 0.034297 is 17.6% of average load 0.195403 LDB: Average compute 0.004395 is 2.2% of average load 0.195403 LDB: TIME 14380.4 LOAD: AVG 0.195403 MAX 0.215351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.84 MB LDB: TIME 14380.4 LOAD: AVG 0.195403 MAX 0.215351 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.84 MB LDB: TIME 14380.4 LOAD: AVG 0.195403 MAX 0.215351 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.84 MB LDB: ============== END OF LOAD BALANCING =============== 14380.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.4 PRESSURE: 4528400 -340.53 45.1279 164.864 45.1277 -8.31707 85.3402 164.863 85.3412 -272.742 GPRESSURE: 4528400 -270.065 -20.7889 236.08 -10.2873 53.4263 78.8049 194.755 69.0208 -315.442 PRESSAVG: 4528400 33.6656 -33.5043 -51.1133 -33.5043 -49.6448 -0.880857 -51.1134 -0.880851 -5.77639 GPRESSAVG: 4528400 34.339 -36.5249 -49.3713 -33.1481 -49.3904 -0.559928 -51.8352 -0.621927 -6.67585 TIMING: 4528400 CPU: 14368.3, 0.00320158/step Wall: 14368.3, 0.00320158/step, 0.419407 hours remaining, 241.582031 MB of memory in use. ENERGY: 4528400 3961.9349 20616.7778 14510.8014 244.2361 -203436.5568 2265.7663 0.0000 0.0000 52237.9273 -109599.1130 300.2121 -161837.0403 -109236.7426 299.9310 -207.1963 -177.3601 759293.2409 -7.2518 -7.2424 PRESSURE: 4528600 198.601 155.868 61.6078 155.868 297.354 292.308 61.6078 292.309 253.196 GPRESSURE: 4528600 216.859 162.914 22.4324 118.613 328.629 232.963 119.203 212.048 284.237 PRESSAVG: 4528600 -35.6486 -40.7183 -33.0811 -40.7182 -7.62482 24.6408 -33.0811 24.6408 -20.134 GPRESSAVG: 4528600 -36.4036 -36.3568 -35.9309 -40.0643 -7.51548 26.3224 -31.9022 23.0125 -19.1002 TIMING: 4528600 CPU: 14368.9, 0.0031288/step Wall: 14368.9, 0.00312881/step, 0.4097 hours remaining, 241.785156 MB of memory in use. ENERGY: 4528600 4036.3445 20534.8734 14511.9847 242.2678 -203361.1275 2357.1632 0.0000 0.0000 52338.6870 -109339.8069 300.7912 -161678.4939 -108982.1160 300.2765 249.7170 276.5746 759069.8148 -21.1358 -21.0064 PRESSURE: 4528800 48.8806 133.783 226.742 133.783 82.3181 208.284 226.741 208.285 -224.945 GPRESSURE: 4528800 75.4686 -63.4754 165.821 26.7727 141.955 126.851 365.398 283.351 -221.263 PRESSAVG: 4528800 11.1595 17.1693 8.28788 17.1693 34.5261 25.5504 8.28789 25.5504 4.01115 GPRESSAVG: 4528800 10.18 15.247 9.89755 17.9149 34.5304 23.8784 6.95248 26.5589 4.44657 TIMING: 4528800 CPU: 14369.5, 0.00311373/step Wall: 14369.5, 0.00311373/step, 0.407553 hours remaining, 241.785156 MB of memory in use. ENERGY: 4528800 4057.6993 20546.8807 14464.6538 241.0444 -203471.6591 2416.5426 0.0000 0.0000 52418.8746 -109325.9638 301.2520 -161744.8383 -108956.2959 300.7969 -31.2488 -1.2797 759421.9868 16.5656 16.3857 PRESSURE: 4529000 -89.0374 -329.195 58.1015 -329.195 38.6418 209.868 58.1014 209.868 -171.96 GPRESSURE: 4529000 -74.5515 -295.193 27.5353 -343.908 107.308 148.3 107.38 243.846 -168.7 PRESSAVG: 4529000 69.4592 -7.53965 34.7118 -7.53963 -43.4577 27.9909 34.7118 27.991 -16.4829 GPRESSAVG: 4529000 70.978 -7.89529 33.4695 -8.68188 -43.0706 27.4002 38.5405 28.7176 -17.8894 TIMING: 4529000 CPU: 14370.2, 0.00313231/step Wall: 14370.2, 0.00313231/step, 0.40981 hours remaining, 241.785156 MB of memory in use. ENERGY: 4529000 4041.0707 20617.1256 14472.0766 239.0509 -203480.9609 2326.2737 0.0000 0.0000 52409.9142 -109375.4491 301.2005 -161785.3633 -109008.8787 300.6066 -74.1185 -45.3144 758172.1064 3.1728 3.3393 PRESSURE: 4529200 -82.9664 -39.7663 -255.162 -39.7657 244.016 -138.82 -255.161 -138.819 103.337 GPRESSURE: 4529200 -94.919 -73.4338 -296.375 56.6415 312.708 -98.464 -195.135 -96.088 126.472 PRESSAVG: 4529200 0.157871 15.1179 -32.0684 15.1179 15.9452 68.8002 -32.0684 68.8002 6.01483 GPRESSAVG: 4529200 0.454655 15.2471 -31.8831 15.8962 15.3629 69.9432 -35.4515 70.2967 6.32328 TIMING: 4529200 CPU: 14370.8, 0.00314608/step Wall: 14370.8, 0.00314608/step, 0.411437 hours remaining, 241.785156 MB of memory in use. ENERGY: 4529200 4129.8427 20581.9294 14501.4684 241.6324 -203883.7096 2727.6809 0.0000 0.0000 52246.7216 -109454.4341 300.2626 -161701.1558 -109096.6560 300.1071 88.1287 114.7536 757896.7476 7.3726 7.3803 PRESSURE: 4529400 -126.171 -136.132 67.0001 -136.133 130.987 -148.397 67.0001 -148.397 21.7087 GPRESSURE: 4529400 -48.1721 -108.746 5.52381 -65.0861 135.764 -232.931 252.885 -272.429 24.785 PRESSAVG: 4529400 -51.3665 -25.885 -1.39743 -25.885 16.1839 -11.8827 -1.39745 -11.8827 24.7319 GPRESSAVG: 4529400 -50.333 -26.171 -1.29824 -25.8466 15.712 -12.9007 -2.27118 -13.7145 24.3314 TIMING: 4529400 CPU: 14371.4, 0.00312529/step Wall: 14371.4, 0.00312529/step, 0.408545 hours remaining, 241.785156 MB of memory in use. ENERGY: 4529400 4004.8046 20488.7795 14531.2316 257.5126 -203483.0240 2480.3746 0.0000 0.0000 52042.9957 -109677.3253 299.0918 -161720.3210 -109316.5931 300.0098 8.8413 37.4589 759360.2406 -3.4836 -3.4298 PRESSURE: 4529600 221.848 -140.111 -6.28033 -140.113 9.04939 -165.528 -6.27994 -165.528 282.232 GPRESSURE: 4529600 182.75 -103.902 81.3281 -188.828 167.521 -117.607 -97.0745 -150.821 250.331 PRESSAVG: 4529600 -8.56302 -48.0954 29.8278 -48.0954 -16.3049 -29.1964 29.8279 -29.1964 -3.61257 GPRESSAVG: 4529600 -11.1608 -46.4446 29.9462 -47.5804 -14.8607 -28.6486 31.5418 -28.8711 -2.64427 TIMING: 4529600 CPU: 14372, 0.00314111/step Wall: 14372, 0.00314111/step, 0.410438 hours remaining, 241.785156 MB of memory in use. ENERGY: 4529600 4003.0465 20457.2963 14606.0381 250.1309 -203748.0497 2614.4935 0.0000 0.0000 52194.4841 -109622.5603 299.9624 -161817.0444 -109263.2808 299.6271 171.0429 200.2008 757848.9308 -9.4935 -9.5553 PRESSURE: 4529800 13.9911 217.255 158.615 217.254 19.6604 200.581 158.615 200.579 -45.866 GPRESSURE: 4529800 1.21303 159.613 154.746 264.686 99.807 189.14 34.6264 94.2403 -15.6707 PRESSAVG: 4529800 -11.6712 17.0606 22.0815 17.0606 38.1174 -14.5659 22.0816 -14.5659 -17.9188 GPRESSAVG: 4529800 -8.90156 15.6947 22.0432 15.0488 36.829 -14.0515 21.3058 -14.2825 -18.6416 TIMING: 4529800 CPU: 14372.7, 0.00314932/step Wall: 14372.7, 0.00314932/step, 0.411337 hours remaining, 241.785156 MB of memory in use. ENERGY: 4529800 4041.3591 20573.9796 14485.6281 252.3154 -203917.8778 2655.9939 0.0000 0.0000 52238.6554 -109669.9461 300.2163 -161908.6016 -109301.2733 299.4995 -4.0715 28.4497 758493.2516 2.8425 3.0953 PRESSURE: 4530000 -41.5106 -144.423 -30.864 -144.423 159.149 -38.3911 -30.8632 -38.3906 155.172 GPRESSURE: 4530000 19.4704 -150.227 -30.017 -118.007 136.498 8.7637 77.5113 7.5177 211.691 PRESSAVG: 4530000 -36.1262 10.5046 -27.5952 10.5046 -30.0039 2.40755 -27.5952 2.40757 17.4967 GPRESSAVG: 4530000 -38.5736 10.2273 -28.3119 9.91632 -28.653 2.1866 -25.4339 2.41891 18.7703 TIMING: 4530000 CPU: 14373.3, 0.00314162/step Wall: 14373.3, 0.00314162/step, 0.410156 hours remaining, 241.785156 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: 4530000 3990.7816 20478.2743 14505.4741 268.6200 -203363.5656 2455.2711 0.0000 0.0000 51977.8047 -109687.3398 298.7172 -161665.1445 -109326.5427 299.6071 90.9367 122.5531 759848.2650 -16.2111 -16.1521 PRESSURE: 4530200 408.259 -241.079 10.4317 -241.08 159.757 -10.429 10.4308 -10.4282 49.5706 GPRESSURE: 4530200 402.742 -237.737 -48.1298 -211.645 250.963 -69.3482 -174.001 -23.8763 40.4782 PRESSAVG: 4530200 27.2754 -6.8776 -22.996 -6.87763 -34.6154 14.6895 -22.996 14.6896 -18.4723 GPRESSAVG: 4530200 28.8359 -8.17942 -22.8997 -4.90899 -36.2411 16.0419 -26.0319 12.8111 -18.7044 TIMING: 4530200 CPU: 14373.9, 0.00314037/step Wall: 14373.9, 0.00314037/step, 0.409818 hours remaining, 241.785156 MB of memory in use. ENERGY: 4530200 3999.5942 20565.4460 14516.7811 245.0597 -204070.4926 2806.5210 0.0000 0.0000 52230.6822 -109706.4085 300.1704 -161937.0907 -109349.8167 299.7252 205.8621 231.3943 757552.9448 -8.6041 -8.7032 PRESSURE: 4530400 -57.1779 -57.8618 -133.622 -57.8613 -295.919 146.339 -133.622 146.338 169.023 GPRESSURE: 4530400 -79.7376 5.58951 -215.985 -16.5633 -140.358 184.532 -117.613 48.7652 130.523 PRESSAVG: 4530400 47.9068 -64.0258 -21.2902 -64.0259 23.7794 36.7772 -21.2902 36.7773 4.57745 GPRESSAVG: 4530400 47.31 -60.4106 -21.1919 -65.3334 24.6769 35.7578 -20.5322 38.9312 4.65345 TIMING: 4530400 CPU: 14374.6, 0.00313305/step Wall: 14374.6, 0.00313305/step, 0.408689 hours remaining, 241.785156 MB of memory in use. ENERGY: 4530400 4048.9629 20745.5396 14481.1148 246.3821 -203747.0932 2349.5423 0.0000 0.0000 52360.4174 -109515.1340 300.9160 -161875.5515 -109154.2350 299.7557 -61.3581 -29.8576 758894.0981 25.4212 25.5468 PRESSURE: 4530600 323.363 160.892 -338.276 160.892 -466.55 104.762 -338.276 104.763 -104.868 GPRESSURE: 4530600 312.54 124.611 -302.425 54.9076 -387.806 80.7123 -275.326 112.249 -80.0849 PRESSAVG: 4530600 25.9767 -7.5665 -48.4226 -7.5665 -23.2469 39.695 -48.4225 39.6949 6.92924 GPRESSAVG: 4530600 26.2044 -10.2127 -47.6914 -7.846 -22.5987 39.8706 -48.2942 39.3486 5.95692 TIMING: 4530600 CPU: 14375.2, 0.00314364/step Wall: 14375.2, 0.00314364/step, 0.409896 hours remaining, 241.785156 MB of memory in use. ENERGY: 4530600 4067.3918 20385.2101 14434.4955 267.3455 -203455.1573 2526.8903 0.0000 0.0000 52266.6211 -109507.2031 300.3770 -161773.8242 -109137.6666 299.9614 -82.6851 -51.7838 760352.6924 3.2197 3.1875 PRESSURE: 4530800 -517.611 145.097 -229.423 145.096 287.313 56.4226 -229.424 56.4229 -157 GPRESSURE: 4530800 -405.282 154.616 -151.814 133.298 288.364 47.8551 -38.6182 63.9757 -197.206 PRESSAVG: 4530800 -50.4746 -0.882781 -18.9023 -0.882846 42.4135 -12.4637 -18.9023 -12.4638 -27.1876 GPRESSAVG: 4530800 -49.2381 -0.178593 -20.0149 -0.188993 40.7547 -12.3293 -17.2939 -12.1196 -26.6588 TIMING: 4530800 CPU: 14375.8, 0.00311921/step Wall: 14375.8, 0.00311921/step, 0.406537 hours remaining, 241.785156 MB of memory in use. ENERGY: 4530800 4093.6716 20567.1405 14460.0426 243.1174 -203181.6230 2153.9556 0.0000 0.0000 52172.5409 -109491.1544 299.8363 -161663.6953 -109126.6704 299.8544 -129.0990 -104.7082 759280.4181 -11.7496 -11.7141 PRESSURE: 4531000 93.335 79.2575 71.5639 79.2581 -104.194 268.556 71.5642 268.556 114.247 GPRESSURE: 4531000 135.673 98.6427 11.7173 86.6681 -51.4403 259.85 18.1017 226.335 101.511 PRESSAVG: 4531000 -29.2539 4.97039 34.8636 4.97037 52.1753 28.7327 34.8635 28.7327 -5.2657 GPRESSAVG: 4531000 -30.3196 5.73605 36.8691 5.93879 52.3916 28.959 33.7274 29.5804 -4.70208 TIMING: 4531000 CPU: 14376.4, 0.00314043/step Wall: 14376.4, 0.00314043/step, 0.409128 hours remaining, 241.785156 MB of memory in use. ENERGY: 4531000 4003.5387 20365.9286 14518.5344 257.3850 -203599.4670 2587.2608 0.0000 0.0000 52226.5967 -109640.2228 300.1470 -161866.8194 -109269.9055 299.7098 34.4629 61.9144 758606.3999 5.8852 5.7900 PRESSURE: 4531200 -9.59892 138.043 -134.297 138.043 9.82309 -57.5146 -134.297 -57.5144 103.927 GPRESSURE: 4531200 99.7229 125.546 -126.652 40.7976 54.3545 -65.1768 -147.81 -94.8615 62.7123 PRESSAVG: 4531200 -45.2347 -1.4146 6.94739 -1.41455 77.8606 35.0589 6.94738 35.059 -22.0921 GPRESSAVG: 4531200 -43.7955 -1.20055 5.11562 -1.35408 76.9118 33.9188 8.46822 35.2266 -22.4264 TIMING: 4531200 CPU: 14377.1, 0.00313614/step Wall: 14377.1, 0.00313614/step, 0.408395 hours remaining, 241.785156 MB of memory in use. ENERGY: 4531200 3976.3040 20553.8632 14486.8495 242.5067 -203315.7507 2375.5552 0.0000 0.0000 52104.5200 -109576.1522 299.4454 -161680.6721 -109211.5628 299.5741 34.7171 72.2632 758615.9008 3.5112 3.5633 PRESSURE: 4531400 -8.39983 -140.033 -8.81429 -140.033 8.73438 181.708 -8.81344 181.707 -202.851 GPRESSURE: 4531400 74.1554 -110.742 -45.2593 -171.451 60.0101 132.433 9.15249 62.158 -229.008 PRESSAVG: 4531400 18.6439 -73.0688 26.7147 -73.0687 19.5356 -3.83523 26.7148 -3.83521 -13.2353 GPRESSAVG: 4531400 17.1981 -75.1287 27.0815 -75.4224 20.7942 -1.8003 25.53 -4.69651 -12.7156 TIMING: 4531400 CPU: 14377.7, 0.00314797/step Wall: 14377.7, 0.00314797/step, 0.40976 hours remaining, 241.785156 MB of memory in use. ENERGY: 4531400 3937.3616 20693.8482 14505.5221 260.7529 -203543.9159 2523.8467 0.0000 0.0000 52122.2041 -109500.3804 299.5470 -161622.5844 -109143.4819 299.9470 -67.5054 -31.6141 759587.2043 8.3147 8.4256 PRESSURE: 4531600 -226.493 -86.648 214.378 -86.648 -232.383 -147.189 214.378 -147.189 -197.011 GPRESSURE: 4531600 -166.449 64.2549 263.458 58.3203 -156.093 -129.686 333.62 -125.388 -250.428 PRESSAVG: 4531600 -45.1249 -32.5992 4.16384 -32.5992 61.1719 -16.0818 4.16384 -16.0818 17.6964 GPRESSAVG: 4531600 -43.5638 -29.4866 3.0129 -31.3412 60.1903 -16.6923 5.29319 -15.6706 17.1486 TIMING: 4531600 CPU: 14378.3, 0.00313527/step Wall: 14378.3, 0.00313527/step, 0.407933 hours remaining, 241.785156 MB of memory in use. ENERGY: 4531600 3989.1693 20545.5788 14576.2778 248.1635 -203574.6022 2699.1165 0.0000 0.0000 52195.7103 -109320.5861 299.9695 -161516.2964 -108953.5811 300.2770 -218.6290 -190.9900 760148.3366 11.2478 11.2584 PRESSURE: 4531800 293.008 -23.5543 -202.447 -23.5545 -287.338 -193.102 -202.448 -193.101 50.0349 GPRESSURE: 4531800 325.033 -160.329 -216.061 14.9113 -336.263 -165.049 -184.558 -158.034 143.06 PRESSAVG: 4531800 -77.0269 -29.5815 17.4492 -29.5813 43.7579 -76.2158 17.4492 -76.2157 -18.5959 GPRESSAVG: 4531800 -78.6728 -30.1891 18.1476 -32.2905 44.3199 -76.6838 15.5475 -74.0846 -18.033 TIMING: 4531800 CPU: 14379, 0.0031575/step Wall: 14379, 0.0031575/step, 0.41065 hours remaining, 241.785156 MB of memory in use. ENERGY: 4531800 3967.7523 20565.6652 14525.0493 255.2207 -203405.0596 2600.3953 0.0000 0.0000 52169.2630 -109321.7136 299.8175 -161490.9767 -108957.8300 299.8865 18.5684 43.9437 760040.2842 -17.2883 -17.4620 PRESSURE: 4532000 -151.733 223.626 68.5489 223.627 -144.014 -8.2967 68.5485 -8.29832 -488.775 GPRESSURE: 4532000 -127.715 122.082 61.1702 130.022 -124.522 33.4302 119.706 -7.23166 -438.691 PRESSAVG: 4532000 18.9067 0.255784 -8.96345 0.255756 -2.99458 -54.3431 -8.96349 -54.343 -18.2306 GPRESSAVG: 4532000 19.8769 -0.217559 -7.448 1.13279 -3.67326 -53.6903 -7.39849 -54.2146 -18.7045 TIMING: 4532000 CPU: 14379.6, 0.00313993/step Wall: 14379.6, 0.00313993/step, 0.408191 hours remaining, 241.785156 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: 4532000 4013.5910 20693.4522 14528.3679 260.4484 -203686.6488 2614.4005 0.0000 0.0000 52202.4821 -109373.9065 300.0084 -161576.3886 -109016.6458 299.7746 -261.5074 -230.3096 759865.5796 -0.7728 -0.8336 PRESSURE: 4532200 -206.154 67.6364 83.2334 67.6364 56.2529 158.995 83.2327 158.995 80.0609 GPRESSURE: 4532200 -194.702 48.477 95.0613 194.374 150.588 140.354 111.871 50.1974 47.1279 PRESSAVG: 4532200 -31.7127 -13.536 -17.8384 -13.536 37.1758 -19.4466 -17.8384 -19.4466 13.5807 GPRESSAVG: 4532200 -33.5813 -15.1213 -18.3992 -12.4213 37.4725 -19.6902 -16.8877 -20.1075 15.2002 TIMING: 4532200 CPU: 14380.2, 0.0031353/step Wall: 14380.2, 0.0031353/step, 0.407414 hours remaining, 241.785156 MB of memory in use. ENERGY: 4532200 3991.4865 20421.5069 14486.1717 248.5085 -203356.6288 2361.5888 0.0000 0.0000 52255.9909 -109591.3754 300.3159 -161847.3664 -109228.6284 300.1411 -23.2802 1.0045 760438.3660 6.3479 6.3638 LDB: ============= START OF LOAD BALANCING ============== 14392.7 LDB: ============== END OF LOAD BALANCING =============== 14392.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.7 LDB: ============= START OF LOAD BALANCING ============== 14393 LDB: Largest compute 7077 load 0.034447 is 17.6% of average load 0.195421 LDB: Average compute 0.004391 is 2.2% of average load 0.195421 LDB: TIME 14393 LOAD: AVG 0.195421 MAX 0.213824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 14393 LOAD: AVG 0.195421 MAX 0.213824 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: TIME 14393 LOAD: AVG 0.195421 MAX 0.213824 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.062 MB LDB: ============== END OF LOAD BALANCING =============== 14393 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14393 PRESSURE: 4532400 120.403 -79.3304 -27.7848 -79.3306 102.836 -80.0088 -27.7848 -80.0091 -240.04 GPRESSURE: 4532400 213.454 56.4793 -41.512 -69.1549 102.557 -27.8301 63.0204 -132.176 -248.243 PRESSAVG: 4532400 -72.9732 15.7561 5.62482 15.7561 57.2376 16.9208 5.62478 16.9207 6.7852 GPRESSAVG: 4532400 -70.8906 16.0425 5.97672 14.7671 57.4503 17.1491 2.38938 16.4477 5.12878 TIMING: 4532400 CPU: 14380.9, 0.00321143/step Wall: 14380.9, 0.00321143/step, 0.417129 hours remaining, 240.550781 MB of memory in use. ENERGY: 4532400 3962.1862 20567.4113 14469.4318 251.9393 -203641.8590 2552.3610 0.0000 0.0000 51986.5445 -109851.9850 298.7674 -161838.5296 -109486.9661 298.8180 -5.6000 22.5895 759899.2107 -2.9835 -2.7705 PRESSURE: 4532600 187.978 -222.32 -65.8176 -222.321 36.1192 42.3281 -65.8172 42.3285 139.771 GPRESSURE: 4532600 184.483 -305.456 -65.7131 -213.239 72.3986 80.9472 -14.9078 39.0278 196.04 PRESSAVG: 4532600 -38.6018 -23.423 -31.6896 -23.423 61.3237 36.5855 -31.6896 36.5855 -9.70183 GPRESSAVG: 4532600 -40.7997 -22.6548 -30.417 -23.1462 62.4199 36.7533 -30.3796 34.689 -7.97023 TIMING: 4532600 CPU: 14381.5, 0.0031495/step Wall: 14381.5, 0.0031495/step, 0.408911 hours remaining, 240.753906 MB of memory in use. ENERGY: 4532600 4048.5696 20553.0995 14500.9264 232.5005 -203465.9812 2341.0974 0.0000 0.0000 51880.9628 -109908.8251 298.1606 -161789.7879 -109554.5924 298.8143 121.2894 150.9739 759019.5128 4.3400 4.5500 PRESSURE: 4532800 234.96 57.5025 148.806 57.5027 32.2152 129.38 148.805 129.379 286.889 GPRESSURE: 4532800 205.824 111.804 85.5613 30.8427 172.654 92.0521 129.046 131.642 274.048 PRESSAVG: 4532800 -15.109 -26.4658 12.6707 -26.4658 45.3587 17.5652 12.6706 17.5652 5.26969 GPRESSAVG: 4532800 -14.9743 -27.9763 11.5162 -24.197 45.4458 16.5595 10.7865 18.9385 5.02264 TIMING: 4532800 CPU: 14382.1, 0.00315189/step Wall: 14382.1, 0.00315189/step, 0.409046 hours remaining, 240.753906 MB of memory in use. ENERGY: 4532800 4038.8189 20231.9320 14420.8720 249.1849 -203672.5047 2588.5618 0.0000 0.0000 52284.9891 -109858.1460 300.4826 -162143.1351 -109488.6903 298.8073 184.6881 217.5085 759874.4520 11.8398 11.8314 PRESSURE: 4533000 -385.402 -272.992 141.217 -272.991 162.141 0.698677 141.218 0.699035 -323.58 GPRESSURE: 4533000 -306.702 -375.987 118.495 -249.213 136.039 14.7943 180.517 -10.3349 -281.433 PRESSAVG: 4533000 -7.37506 -23.4644 -21.5279 -23.4644 31.3466 -31.9729 -21.5278 -31.9729 7.97333 GPRESSAVG: 4533000 -7.92285 -21.7383 -22.4189 -25.5367 31.2686 -31.4353 -19.4254 -31.7689 8.23949 TIMING: 4533000 CPU: 14382.7, 0.0031663/step Wall: 14382.7, 0.0031663/step, 0.410739 hours remaining, 240.753906 MB of memory in use. ENERGY: 4533000 3969.2343 20420.4095 14472.5573 243.9835 -203724.1910 2640.4823 0.0000 0.0000 52206.3241 -109771.2000 300.0305 -161977.5241 -109402.9159 298.6273 -182.2805 -150.6984 761372.1831 10.6483 10.5284 PRESSURE: 4533200 -379.744 78.6607 66.58 78.6601 -12.6802 105.721 66.5802 105.721 328.931 GPRESSURE: 4533200 -313.859 69.5996 72.9493 77.4588 13.5498 71.1221 6.15322 -0.960573 318.77 PRESSAVG: 4533200 -58.991 -34.5917 -53.3579 -34.5917 59.6234 2.27135 -53.3579 2.27131 -15.77 GPRESSAVG: 4533200 -57.0109 -37.6378 -51.0349 -34.8899 59.4318 2.42539 -54.6084 2.1354 -17.9164 TIMING: 4533200 CPU: 14383.4, 0.00314312/step Wall: 14383.4, 0.00314312/step, 0.407557 hours remaining, 240.753906 MB of memory in use. ENERGY: 4533200 4034.1021 20451.5998 14497.5605 238.4741 -203701.9458 2938.0711 0.0000 0.0000 51895.2209 -109646.9171 298.2425 -161542.1381 -109286.2139 298.9183 -21.1642 6.1538 762182.1618 -5.0459 -5.1652 PRESSURE: 4533400 64.6158 -82.5212 -171.669 -82.5208 196.843 -153.368 -171.669 -153.368 286.461 GPRESSURE: 4533400 156.078 -94.5045 -94.3318 -164.164 148.595 -109.588 -280.298 -200.875 327.32 PRESSAVG: 4533400 -28.7443 11.0823 -6.4445 11.0823 32.4113 3.50143 -6.44444 3.50148 -7.06018 GPRESSAVG: 4533400 -28.9156 14.0373 -9.11512 12.2844 30.7327 3.37491 -5.16936 3.46718 -5.01317 TIMING: 4533400 CPU: 14384, 0.0031436/step Wall: 14384, 0.0031436/step, 0.407445 hours remaining, 240.753906 MB of memory in use. ENERGY: 4533400 4000.2780 20546.2316 14448.4944 227.1137 -203934.8170 2996.0877 0.0000 0.0000 52132.2430 -109584.3686 299.6047 -161716.6116 -109214.3452 299.4700 182.6400 210.6643 761396.1839 -1.1310 -1.0653 PRESSURE: 4533600 -244.079 -119.978 -112.778 -119.977 -304.037 18.964 -112.779 18.9646 -483.153 GPRESSURE: 4533600 -153.069 -64.0719 -60.9162 -172.565 -322.899 41.0892 -119.052 58.5495 -447.484 PRESSAVG: 4533600 -84.9782 -38.9604 -34.4318 -38.9603 115.106 0.902554 -34.4318 0.902511 5.55841 GPRESSAVG: 4533600 -86.096 -41.0689 -36.2522 -37.9575 117.542 1.56176 -35.414 3.23344 4.76244 TIMING: 4533600 CPU: 14384.6, 0.00314569/step Wall: 14384.6, 0.00314569/step, 0.407542 hours remaining, 240.753906 MB of memory in use. ENERGY: 4533600 3994.7083 20577.6064 14451.9567 245.3148 -203192.2974 2159.3797 0.0000 0.0000 52054.3589 -109708.9725 299.1571 -161763.3314 -109351.2567 299.6068 -343.7565 -307.8175 760504.8280 11.8955 12.0694 PRESSURE: 4533800 52.1968 -55.6271 116.455 -55.6256 32.5181 139.7 116.455 139.7 301.437 GPRESSURE: 4533800 144.484 -238.164 88.9701 65.4651 23.5753 89.754 77.5777 -17.7512 315.646 PRESSAVG: 4533800 -43.1607 11.6956 -18.9047 11.6956 27.3147 34.1904 -18.9048 34.1903 19.1803 GPRESSAVG: 4533800 -42.7237 11.5708 -16.1157 11.4714 26.6374 33.8333 -17.2868 31.8525 20.3272 TIMING: 4533800 CPU: 14385.3, 0.00314526/step Wall: 14385.3, 0.00314526/step, 0.407311 hours remaining, 240.753906 MB of memory in use. ENERGY: 4533800 3947.9003 20510.8399 14543.3911 225.5393 -203793.7434 2703.9422 0.0000 0.0000 52271.4587 -109590.6720 300.4048 -161862.1307 -109229.7684 299.0542 128.7175 161.2351 759798.1370 1.1114 1.4136 PRESSURE: 4534000 15.8573 -157.939 -63.5055 -157.939 -94.3103 -39.7676 -63.5052 -39.768 520.084 GPRESSURE: 4534000 25.4628 -153.854 -30.1369 -132.99 -66.52 -28.5714 -91.3319 88.6726 565.645 PRESSAVG: 4534000 -33.5057 -36.106 -0.362162 -36.1059 38.2475 -12.1957 -0.362142 -12.1957 -0.300184 GPRESSAVG: 4534000 -33.0216 -33.8924 -1.90673 -37.1403 36.6119 -11.7127 -0.67212 -12.4184 0.516052 TIMING: 4534000 CPU: 14385.9, 0.00315448/step Wall: 14385.9, 0.00315448/step, 0.408329 hours remaining, 240.753906 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: 4534000 3906.2587 20389.0325 14429.9355 241.4318 -203295.7056 2452.2916 0.0000 0.0000 52191.2062 -109685.5494 299.9436 -161876.7556 -109317.2485 299.1399 147.2104 174.8627 760469.7817 1.4805 1.3688 PRESSURE: 4534200 241.741 73.3315 83.7978 73.3307 -145.634 252.571 83.798 252.572 -288.919 GPRESSURE: 4534200 171.169 61.6565 179.77 25.2858 -106.017 118.886 31.4318 277.306 -155.742 PRESSAVG: 4534200 -0.604303 -25.5345 -2.94792 -25.5345 -33.798 -8.42131 -2.948 -8.42125 11.371 GPRESSAVG: 4534200 -0.0174842 -27.1451 -2.12653 -25.1231 -32.6828 -9.45696 -3.24011 -7.15258 10.3475 TIMING: 4534200 CPU: 14386.5, 0.00314163/step Wall: 14386.5, 0.00314163/step, 0.406492 hours remaining, 240.753906 MB of memory in use. ENERGY: 4534200 3926.5961 20514.5099 14489.0530 217.6231 -203338.5965 2243.9220 0.0000 0.0000 52220.4268 -109726.4655 300.1115 -161946.8923 -109359.8472 298.8941 -64.2709 -30.1968 760142.5069 -7.6771 -7.4509 PRESSURE: 4534400 64.6567 -118.881 -133.772 -118.881 261.025 169.285 -133.772 169.285 -183.82 GPRESSURE: 4534400 35.2378 -72.4668 -124.985 -189.141 269.896 167.975 -186.473 131.102 -97.5649 PRESSAVG: 4534400 -1.30393 -28.8404 -31.1705 -28.8404 13.5041 -12.3667 -31.1705 -12.3667 -9.99708 GPRESSAVG: 4534400 -3.44932 -28.4484 -29.618 -28.6746 14.7245 -10.1839 -31.7435 -14.3429 -9.16732 TIMING: 4534400 CPU: 14387.2, 0.00314501/step Wall: 14387.2, 0.00314501/step, 0.406754 hours remaining, 240.753906 MB of memory in use. ENERGY: 4534400 3941.0581 20515.0436 14546.6793 238.8565 -203581.8584 2678.8878 0.0000 0.0000 51977.4889 -109683.8442 298.7153 -161661.3331 -109331.0220 299.3582 47.2873 69.1895 761141.6988 0.7344 0.7026 PRESSURE: 4534600 -43.9361 -57.5319 -77.9505 -57.5321 34.5967 -47.6153 -77.9505 -47.6156 72.4686 GPRESSURE: 4534600 65.3901 -35.7592 -51.8628 -117.466 10.5084 -9.63504 -174.904 -46.2318 59.5292 PRESSAVG: 4534600 -5.10186 -28.3267 19.8223 -28.3267 -10.6542 -15.7014 19.8223 -15.7013 -8.15857 GPRESSAVG: 4534600 -3.02379 -27.2112 20.0001 -27.5891 -11.8326 -17.4027 20.1715 -15.8359 -8.32101 TIMING: 4534600 CPU: 14387.8, 0.00313788/step Wall: 14387.8, 0.00313788/step, 0.405658 hours remaining, 240.753906 MB of memory in use. ENERGY: 4534600 3940.0042 20486.7374 14498.1274 247.0744 -203519.9770 2537.1545 0.0000 0.0000 52116.4663 -109694.4128 299.5140 -161810.8791 -109333.3375 298.7757 21.0431 45.1426 761228.3367 -7.9715 -7.7258 PRESSURE: 4534800 49.7707 -70.87 79.5157 -70.8709 119.635 48.1034 79.5152 48.1036 -121.023 GPRESSURE: 4534800 111.891 -108.391 88.0818 44.5002 91.3913 -0.258096 50.2406 10.0691 -59.7549 PRESSAVG: 4534800 11.2737 -1.5135 -16.0253 -1.51348 -17.6139 13.7022 -16.0253 13.7023 -3.3305 GPRESSAVG: 4534800 11.5379 -0.205787 -17.7113 -0.716264 -17.4616 13.8553 -14.4763 14.0211 -3.1644 TIMING: 4534800 CPU: 14388.4, 0.00314949/step Wall: 14388.4, 0.00314949/step, 0.406985 hours remaining, 240.753906 MB of memory in use. ENERGY: 4534800 4005.4885 20457.3121 14553.9162 234.7978 -203561.8137 2657.8268 0.0000 0.0000 52152.6264 -109499.8458 299.7219 -161652.4722 -109134.8362 298.8917 16.1278 47.8425 761530.3334 -3.2236 -3.0293 PRESSURE: 4535000 -218.27 194.405 -78.3069 194.404 -303.614 -2.14735 -78.3074 -2.147 626.371 GPRESSURE: 4535000 -93.6589 59.6236 -9.92635 170.87 -314.625 47.8624 -121.012 17.4074 603.903 PRESSAVG: 4535000 31.076 -41.9481 -5.66912 -41.9481 15.8604 -57.2373 -5.66909 -57.2372 -17.9709 GPRESSAVG: 4535000 31.5811 -43.2169 -4.15503 -43.5794 15.6218 -54.7239 -5.7901 -57.13 -17.5723 TIMING: 4535000 CPU: 14389, 0.00315202/step Wall: 14389, 0.00315202/step, 0.407136 hours remaining, 240.753906 MB of memory in use. ENERGY: 4535000 3934.7158 20502.8626 14528.8247 250.0610 -203459.4716 2499.9807 0.0000 0.0000 52146.4541 -109596.5728 299.6864 -161743.0269 -109248.6507 299.1066 34.8288 65.2063 760299.1531 9.6552 9.8769 PRESSURE: 4535200 -21.5853 -94.9481 -38.3994 -94.9488 -160.914 -165.748 -38.3994 -165.748 279.122 GPRESSURE: 4535200 -34.2049 53.9442 -5.18834 7.93019 -23.4847 -180.048 -84.0251 -72.3271 259.795 PRESSAVG: 4535200 -19.065 -69.5071 -1.69819 -69.5072 -25.3698 44.7269 -1.69819 44.7269 9.45727 GPRESSAVG: 4535200 -19.4845 -70.1082 -1.77661 -66.5605 -23.4481 42.1147 -3.48993 46.3386 8.40371 TIMING: 4535200 CPU: 14389.7, 0.00315121/step Wall: 14389.7, 0.00315121/step, 0.406856 hours remaining, 240.753906 MB of memory in use. ENERGY: 4535200 3981.4483 20444.8670 14488.3133 256.0055 -202989.2988 2416.2116 0.0000 0.0000 51925.7784 -109476.6747 298.4182 -161402.4531 -109116.5972 298.9380 32.2076 67.3686 764038.3986 -11.6592 -11.5096 PRESSURE: 4535400 -221.524 -219.033 -241.294 -219.034 219.181 -107.673 -241.294 -107.672 -160.587 GPRESSURE: 4535400 -91.4476 -129.704 -291.342 -67.4902 192.319 -73.3155 -142.135 -60.6086 -177.515 PRESSAVG: 4535400 -7.69074 -48.3943 7.83059 -48.3944 21.2597 -45.3736 7.83054 -45.3735 -5.53535 GPRESSAVG: 4535400 -7.57042 -46.6432 6.52802 -52.2757 20.9061 -45.2153 8.35239 -43.9784 -5.26403 TIMING: 4535400 CPU: 14390.3, 0.00313936/step Wall: 14390.3, 0.00313935/step, 0.405151 hours remaining, 240.753906 MB of memory in use. ENERGY: 4535400 3954.6453 20426.6988 14527.9417 251.9037 -203416.2419 2644.9175 0.0000 0.0000 51957.2028 -109652.9321 298.5988 -161610.1349 -109289.3976 299.1509 -54.3102 -25.5482 762297.7291 2.6779 2.6906 PRESSURE: 4535600 53.4486 -22.175 -114.362 -22.175 212.788 -10.6116 -114.361 -10.6119 81.1736 GPRESSURE: 4535600 78.1271 -50.2476 -167.767 -59.3267 150.999 21.193 -106.488 -70.3091 187.588 PRESSAVG: 4535600 -49.328 -15.2221 -9.84087 -15.2221 28.5153 15.596 -9.8409 15.596 5.22616 GPRESSAVG: 4535600 -49.2352 -18.6304 -9.20036 -14.7996 27.7456 15.9708 -9.33394 14.889 5.69228 TIMING: 4535600 CPU: 14390.9, 0.00314591/step Wall: 14390.9, 0.00314591/step, 0.405822 hours remaining, 240.753906 MB of memory in use. ENERGY: 4535600 3969.9878 20564.4809 14539.8866 248.2721 -203368.2354 2392.2631 0.0000 0.0000 52121.4185 -109531.9265 299.5425 -161653.3450 -109168.9436 298.8870 115.8032 138.9045 762056.2418 -5.1955 -5.2658 PRESSURE: 4535800 -294.798 -112.516 290.361 -112.517 -20.281 40.3874 290.361 40.3872 -194.368 GPRESSURE: 4535800 -212.904 -41.8707 256.169 -107.492 -38.3799 30.5973 269.908 66.3404 -180.765 PRESSAVG: 4535800 40.2148 -61.9799 25.693 -61.9799 1.54305 36.5952 25.6931 36.5951 2.26294 GPRESSAVG: 4535800 39.7556 -61.1146 27.1094 -60.0924 1.09047 37.506 24.7359 34.374 3.08194 TIMING: 4535800 CPU: 14391.6, 0.00315609/step Wall: 14391.6, 0.00315609/step, 0.40696 hours remaining, 240.753906 MB of memory in use. ENERGY: 4535800 3986.1551 20632.8969 14477.9577 250.5776 -203436.4301 2596.3662 0.0000 0.0000 51958.4037 -109534.0730 298.6057 -161492.4766 -109165.2287 299.6884 -169.8154 -144.0161 762991.0034 14.6736 14.6427 PRESSURE: 4536000 -12.1733 -129.042 44.8102 -129.042 -22.4272 -145.214 44.8101 -145.213 -256.696 GPRESSURE: 4536000 -27.0312 -193.34 -13.596 -72.2773 24.6947 -104.9 40.7337 23.8357 -218.471 PRESSAVG: 4536000 -24.4365 -53.1811 30.8665 -53.1811 33.4498 -27.8021 30.8664 -27.8022 -4.62598 GPRESSAVG: 4536000 -23.9622 -52.6043 29.0945 -54.3248 32.9741 -29.0918 32.369 -25.5836 -4.45352 TIMING: 4536000 CPU: 14392.2, 0.00314229/step Wall: 14392.2, 0.00314229/step, 0.405006 hours remaining, 240.753906 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: 4536000 3909.7991 20598.7546 14483.4917 239.8179 -203257.8555 2388.9070 0.0000 0.0000 52119.1685 -109517.9166 299.5296 -161637.0851 -109146.4740 299.6489 -97.0987 -73.6026 763154.5996 1.4624 1.5195 PRESSURE: 4536200 -148.115 -244.542 -131.34 -244.542 -211.07 73.2059 -131.34 73.2068 274.842 GPRESSURE: 4536200 -67.7581 -194.084 -112.865 -204.662 -221.18 121.822 0.760332 75.1776 304.382 PRESSAVG: 4536200 -18.2793 -44.698 -37.5386 -44.6979 61.4438 9.44185 -37.5386 9.44191 0.805655 GPRESSAVG: 4536200 -19.4643 -44.3483 -36.7302 -44.3292 63.0145 10.6295 -37.8845 8.04559 0.239128 TIMING: 4536200 CPU: 14392.8, 0.00313731/step Wall: 14392.8, 0.00313731/step, 0.40419 hours remaining, 240.753906 MB of memory in use. ENERGY: 4536200 3986.0131 20560.1586 14568.0932 252.5158 -203599.5675 2606.5064 0.0000 0.0000 52185.8910 -109440.3892 299.9130 -161626.2803 -109076.5755 299.9459 -28.1144 5.1478 760587.3660 14.6567 14.5964 LDB: ============= START OF LOAD BALANCING ============== 14405.3 LDB: ============== END OF LOAD BALANCING =============== 14405.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14405.3 LDB: ============= START OF LOAD BALANCING ============== 14405.6 LDB: Largest compute 7026 load 0.035878 is 18.4% of average load 0.195465 LDB: Average compute 0.004394 is 2.2% of average load 0.195465 LDB: TIME 14405.6 LOAD: AVG 0.195465 MAX 0.217702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 14405.6 LOAD: AVG 0.195465 MAX 0.217702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: TIME 14405.6 LOAD: AVG 0.195465 MAX 0.217702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.523 MB LDB: ============== END OF LOAD BALANCING =============== 14405.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14405.6 PRESSURE: 4536400 40.3973 43.1045 -332.577 43.1043 -115.393 -31.7269 -332.578 -31.7276 136.96 GPRESSURE: 4536400 104.54 -15.8428 -395.435 63.3762 -54.4911 54.2963 -334.506 -67.1436 96.2175 PRESSAVG: 4536400 -23.5558 -17.0084 8.96494 -17.0084 13.5887 8.74494 8.96501 8.74502 -4.95543 GPRESSAVG: 4536400 -23.3027 -18.2849 8.52098 -17.513 13.7363 9.91864 9.21047 7.89331 -5.0205 TIMING: 4536400 CPU: 14393.5, 0.00318889/step Wall: 14393.5, 0.00318889/step, 0.410658 hours remaining, 241.320312 MB of memory in use. ENERGY: 4536400 3978.0064 20471.4718 14475.4548 241.0135 -203426.8094 2599.0549 0.0000 0.0000 52087.2357 -109574.5723 299.3461 -161661.8080 -109225.7896 299.4446 20.6549 48.7555 760919.5818 -4.9742 -4.8623 PRESSURE: 4536600 -61.7125 191.978 -127.214 191.979 91.7018 234.319 -127.213 234.318 446.84 GPRESSURE: 4536600 68.5377 176.385 -182.08 187.376 42.3576 153.72 -108.099 220.359 465.991 PRESSAVG: 4536600 -14.6576 -9.40355 3.89274 -9.40358 14.3956 27.3167 3.89275 27.3168 -0.107518 GPRESSAVG: 4536600 -14.0879 -7.91 4.77827 -8.90282 13.2193 25.2978 3.62287 27.0369 0.59048 TIMING: 4536600 CPU: 14394.1, 0.00314256/step Wall: 14394.1, 0.00314256/step, 0.404518 hours remaining, 241.523438 MB of memory in use. ENERGY: 4536600 3960.0991 20451.5973 14491.2600 251.4311 -203243.0739 2414.5279 0.0000 0.0000 52198.8694 -109475.2892 299.9876 -161674.1585 -109119.2454 299.4080 158.9430 192.2955 760008.6905 -0.1232 -0.0927 PRESSURE: 4536800 259.19 30.3475 69.9565 30.3466 -110.375 -17.1294 69.9559 -17.1289 218.074 GPRESSURE: 4536800 327.135 -39.9477 46.6879 -13.299 -12.2618 0.136966 30.0153 57.1919 140.429 PRESSAVG: 4536800 -27.4477 29.1656 -17.5677 29.1656 35.4559 -13.8021 -17.5677 -13.8021 17.4884 GPRESSAVG: 4536800 -26.6663 27.8011 -18.2554 27.5854 35.7583 -12.3249 -16.7412 -11.2934 16.2136 TIMING: 4536800 CPU: 14394.7, 0.00313177/step Wall: 14394.7, 0.00313176/step, 0.402954 hours remaining, 241.523438 MB of memory in use. ENERGY: 4536800 3908.0564 20502.4578 14537.5474 251.0169 -203682.6543 2842.9976 0.0000 0.0000 51919.3444 -109721.2339 298.3812 -161640.5783 -109365.7021 299.1819 122.2961 151.7675 759576.2072 8.4989 8.4352 PRESSURE: 4537000 -175.965 10.0315 -101.11 10.0306 261.085 -68.4098 -101.111 -68.4098 10.121 GPRESSURE: 4537000 -81.4546 49.5423 -99.3084 125.181 286.907 -91.4989 -114.727 -63.0764 -30.4199 PRESSAVG: 4537000 -33.9853 -27.5142 1.14754 -27.5142 15.0823 -14.6767 1.14748 -14.6767 0.735882 GPRESSAVG: 4537000 -33.507 -26.4805 -0.278761 -25.6472 14.333 -16.2616 -0.389699 -16.5007 0.922223 TIMING: 4537000 CPU: 14395.3, 0.00314632/step Wall: 14395.3, 0.00314632/step, 0.404651 hours remaining, 241.523438 MB of memory in use. ENERGY: 4537000 3936.2440 20473.2100 14404.6402 248.7139 -203352.8143 2613.1765 0.0000 0.0000 51881.7781 -109795.0517 298.1653 -161676.8298 -109435.1693 298.9425 31.7469 58.3441 759416.7977 -6.0557 -6.0839 PRESSURE: 4537200 -11.036 190.542 93.3293 190.542 -81.5742 -147.525 93.33 -147.526 -384.458 GPRESSURE: 4537200 -50.7207 137.407 98.3209 237.513 22.8231 -205.999 59.3757 -9.37556 -374.684 PRESSAVG: 4537200 -39.9732 25.5121 46.4478 25.5121 45.1805 17.4392 46.4478 17.4391 9.27841 GPRESSAVG: 4537200 -39.6052 24.3283 47.4583 23.3789 44.7688 17.6342 46.8935 18.228 9.30809 TIMING: 4537200 CPU: 14396, 0.0031251/step Wall: 14396, 0.0031251/step, 0.401749 hours remaining, 241.523438 MB of memory in use. ENERGY: 4537200 4041.0756 20280.2395 14412.8596 263.6841 -203236.6367 2393.5311 0.0000 0.0000 52181.5961 -109663.6508 299.8884 -161845.2470 -109295.8414 298.5172 -159.0228 -134.1940 762040.6444 4.8286 4.8239 PRESSURE: 4537400 -9.6472 -57.8278 86.6328 -57.8282 -248.991 83.9426 86.6331 83.9426 316.209 GPRESSURE: 4537400 15.0799 -11.9505 67.8923 -91.3553 -215.007 78.8376 69.4046 255.035 348.15 PRESSAVG: 4537400 -37.2967 -14.9003 48.8563 -14.9003 42.8267 -24.3393 48.8563 -24.3393 14.5108 GPRESSAVG: 4537400 -38.5627 -13.0326 47.6347 -14.8764 43.2528 -24.4532 49.0237 -24.892 15.1982 TIMING: 4537400 CPU: 14396.6, 0.00312999/step Wall: 14396.6, 0.00312999/step, 0.402204 hours remaining, 241.523438 MB of memory in use. ENERGY: 4537400 3889.2771 20365.1668 14475.4403 255.8492 -202809.1201 2009.3392 0.0000 0.0000 52019.6079 -109794.4397 298.9574 -161814.0476 -109421.7627 298.4096 19.1905 49.4077 760473.3046 6.6803 6.6294 PRESSURE: 4537600 -40.6448 -238.912 131.661 -238.912 143.268 -15.1157 131.662 -15.1148 19.3705 GPRESSURE: 4537600 -41.8807 -176.938 156.868 -83.2234 191.566 98.0106 155.059 -5.25032 60.0432 PRESSAVG: 4537600 27.0766 -70.9135 41.0712 -70.9135 -39.1443 1.35943 41.0712 1.35942 -10.315 GPRESSAVG: 4537600 27.6254 -71.4968 42.449 -69.5246 -39.5663 1.95958 42.2679 1.37571 -10.6164 TIMING: 4537600 CPU: 14397.2, 0.00312102/step Wall: 14397.2, 0.00312102/step, 0.400878 hours remaining, 241.523438 MB of memory in use. ENERGY: 4537600 3921.2675 20471.7966 14415.4058 266.3080 -203152.7322 2432.2198 0.0000 0.0000 52090.9999 -109554.7346 299.3677 -161645.7346 -109189.5193 299.1806 40.6647 69.9095 761275.4168 -7.4609 -7.5191 PRESSURE: 4537800 -126.039 -137.008 -123.685 -137.007 -103.918 -16.6955 -123.685 -16.6952 311.846 GPRESSURE: 4537800 -120.265 -127.792 -202.898 -126.054 -23.997 -70.658 -21.9959 35.1343 317.606 PRESSAVG: 4537800 21.8021 -30.6436 -19.9632 -30.6436 -31.6142 -28.8494 -19.9632 -28.8494 15.7332 GPRESSAVG: 4537800 19.6795 -31.2618 -20.0637 -32.945 -30.0978 -27.5347 -20.3864 -29.7557 16.4991 TIMING: 4537800 CPU: 14397.8, 0.00315225/step Wall: 14397.8, 0.00315225/step, 0.404713 hours remaining, 241.523438 MB of memory in use. ENERGY: 4537800 4010.0015 20482.6050 14444.9115 240.2061 -203166.3899 2411.3844 0.0000 0.0000 52202.2703 -109375.0111 300.0072 -161577.2814 -109014.7972 299.0785 27.2965 57.7813 759849.6339 1.9737 2.0269 PRESSURE: 4538000 -93.5093 81.8115 58.8225 81.8114 -182.408 -65.3334 58.8215 -65.332 -106.386 GPRESSURE: 4538000 -54.6354 177.389 55.6155 214.409 -149.998 -19.1547 -53.9248 -101.779 -111.804 PRESSAVG: 4538000 28.5889 18.6455 -40.504 18.6455 22.5027 -16.5844 -40.504 -16.5844 -20.8272 GPRESSAVG: 4538000 30.9553 18.1014 -40.4409 21.2764 21.2177 -18.034 -43.8184 -15.2758 -21.8877 TIMING: 4538000 CPU: 14398.5, 0.00315975/step Wall: 14398.5, 0.00315975/step, 0.405502 hours remaining, 241.523438 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: 4538000 3956.8980 20525.7989 14442.8273 233.3408 -203106.1063 2377.7304 0.0000 0.0000 52395.7973 -109173.7136 301.1194 -161569.5109 -108811.2886 299.6703 -127.4343 -105.4793 759228.1624 10.0881 10.0951 PRESSURE: 4538200 -37.3148 60.8715 -81.1176 60.8702 145.806 85.9024 -81.1169 85.9017 -217.262 GPRESSURE: 4538200 115.052 47.5643 -153.609 -12.1042 69.0336 84.7954 13.8337 102.672 -210.753 PRESSAVG: 4538200 18.8944 -38.082 9.0602 -38.082 33.3718 -1.67098 9.06023 -1.67094 9.67706 GPRESSAVG: 4538200 18.2921 -37.4339 7.94748 -38.8521 33.4813 -0.915181 12.34 -2.07638 9.79585 TIMING: 4538200 CPU: 14399.1, 0.00313613/step Wall: 14399.1, 0.00313613/step, 0.402296 hours remaining, 241.523438 MB of memory in use. ENERGY: 4538200 3996.9294 20593.3451 14454.4661 248.1535 -203106.7713 2369.8502 0.0000 0.0000 52154.5187 -109289.5083 299.7327 -161444.0270 -108922.6907 299.5984 -36.2568 -8.8892 759832.0111 20.6478 20.5231 PRESSURE: 4538400 -190.849 -101.598 -81.5595 -101.599 115.267 -75.2892 -81.5589 -75.2868 86.3858 GPRESSURE: 4538400 -145.501 -37.8029 -209.124 -99.4943 118.297 -114.666 -112.791 -29.8655 119.201 PRESSAVG: 4538400 -104.06 -50.1785 -24.9885 -50.1784 52.5259 -17.1534 -24.9885 -17.1534 22.7171 GPRESSAVG: 4538400 -104.904 -50.9034 -24.7785 -49.2403 52.4103 -19.1811 -27.6016 -16.2514 23.7243 TIMING: 4538400 CPU: 14399.7, 0.00314369/step Wall: 14399.7, 0.00314369/step, 0.403091 hours remaining, 241.523438 MB of memory in use. ENERGY: 4538400 3994.2619 20477.3966 14433.6241 239.2267 -203260.9246 2603.8730 0.0000 0.0000 52158.9835 -109353.5587 299.7584 -161512.5422 -108993.4351 299.8792 3.6012 30.6659 760361.3863 -9.6057 -9.5897 PRESSURE: 4538600 126.569 -105.668 -23.7438 -105.667 -237.489 94.9948 -23.7431 94.9944 375.576 GPRESSURE: 4538600 186.081 -91.6172 16.8947 -65.0968 -197.518 -22.3112 56.4851 105.313 373.404 PRESSAVG: 4538600 -27.0741 -47.0377 9.98691 -47.0376 43.6787 36.5918 9.9869 36.5918 -14.9541 GPRESSAVG: 4538600 -25.8232 -44.3037 12.0619 -49.7174 43.0391 36.4804 8.7603 35.9312 -15.5983 TIMING: 4538600 CPU: 14400.4, 0.0031736/step Wall: 14400.4, 0.00317361/step, 0.40675 hours remaining, 241.523438 MB of memory in use. ENERGY: 4538600 3966.8192 20330.3324 14489.4983 251.2792 -202968.7915 2327.4577 0.0000 0.0000 52387.1978 -109216.2070 301.0699 -161603.4048 -108854.3510 300.1143 88.2188 120.6559 758540.1972 0.5502 0.5392 PRESSURE: 4538800 237.948 86.2424 323.908 86.243 386.561 -23.7151 323.908 -23.7154 -32.1369 GPRESSURE: 4538800 268.984 236.124 193.123 24.2805 368.196 17.3961 195.468 -29.4435 54.5626 PRESSAVG: 4538800 -22.493 -52.4056 -37.3801 -52.4057 51.682 -26.8314 -37.3801 -26.8314 -15.6924 GPRESSAVG: 4538800 -21.2295 -52.5198 -37.8912 -51.9443 50.5714 -27.4061 -35.6972 -26.3125 -15.6251 TIMING: 4538800 CPU: 14401, 0.00314869/step Wall: 14401, 0.00314869/step, 0.403382 hours remaining, 241.523438 MB of memory in use. ENERGY: 4538800 3987.3919 20609.8593 14494.4495 268.5440 -203288.4210 2608.5008 0.0000 0.0000 52134.0062 -109185.6694 299.6149 -161319.6755 -108823.3711 300.0298 197.4576 230.5807 757670.4377 4.4989 4.5723 PRESSURE: 4539000 -44.2711 -133.666 -112.68 -133.666 -86.905 -146.594 -112.68 -146.594 192.986 GPRESSURE: 4539000 -6.35381 -176.713 -98.0896 -70.5302 -25.2144 -195.381 -62.577 -94.9222 176.292 PRESSAVG: 4539000 -33.2487 19.5055 -0.434634 19.5056 21.6775 -19.7045 -0.434678 -19.7045 -10.6435 GPRESSAVG: 4539000 -33.8027 19.6243 -1.07966 20.2844 22.476 -17.8036 0.0558982 -21.754 -11.0535 TIMING: 4539000 CPU: 14401.6, 0.00313427/step Wall: 14401.6, 0.00313427/step, 0.40136 hours remaining, 241.523438 MB of memory in use. ENERGY: 4539000 3994.4622 20596.0707 14388.2357 234.7158 -203430.0524 2400.3303 0.0000 0.0000 52621.3056 -109194.9320 302.4154 -161816.2376 -108822.0034 300.5656 20.6034 48.2414 761085.8065 -7.4049 -7.4601 PRESSURE: 4539200 -305.231 -191.203 103.364 -191.203 -112.644 233.41 103.365 233.411 -184.544 GPRESSURE: 4539200 -316.46 -174.124 149.058 -90.1629 -77.751 108.609 70.8449 219.133 -131.574 PRESSAVG: 4539200 -35.2347 -62.8698 51.6473 -62.8698 21.9582 22.2737 51.6474 22.2737 1.45789 GPRESSAVG: 4539200 -35.9819 -63.0798 52.1099 -61.821 21.8608 21.3284 52.5439 24.0181 2.71079 TIMING: 4539200 CPU: 14402.2, 0.0031338/step Wall: 14402.2, 0.0031338/step, 0.401126 hours remaining, 241.523438 MB of memory in use. ENERGY: 4539200 3934.8098 20703.6712 14422.7515 264.2030 -203360.7486 2423.6056 0.0000 0.0000 52373.0865 -109238.6210 300.9888 -161611.7075 -108869.5868 300.2459 -200.8063 -175.2617 760817.6644 -3.9395 -3.8034 PRESSURE: 4539400 143.579 84.1187 82.8164 84.119 -100.564 -175.823 82.8162 -175.823 -234.241 GPRESSURE: 4539400 142.596 3.27553 24.7306 75.1451 -65.9906 -124.665 -0.758511 -190.551 -188.185 PRESSAVG: 4539400 -25.7557 24.5924 -23.1965 24.5924 8.03521 7.35242 -23.1965 7.35243 -9.13593 GPRESSAVG: 4539400 -26.1938 25.2845 -22.5859 23.5474 8.20629 6.64521 -23.7912 5.55501 -8.99704 TIMING: 4539400 CPU: 14402.9, 0.00312229/step Wall: 14402.9, 0.00312229/step, 0.39948 hours remaining, 241.523438 MB of memory in use. ENERGY: 4539400 4043.3826 20603.5212 14387.6352 249.8227 -203173.7056 2391.8201 0.0000 0.0000 52058.7588 -109438.7650 299.1824 -161497.5238 -109074.1808 300.2852 -63.7420 -37.1934 761983.7855 -8.9521 -8.9949 PRESSURE: 4539600 -92.2364 -180.112 -117.067 -180.112 134.367 -147.966 -117.067 -147.967 -234.517 GPRESSURE: 4539600 -3.87228 -163.962 -39.1703 -191.437 111.033 -128.207 -123.337 -64.9075 -186.34 PRESSAVG: 4539600 -3.21121 -26.0571 2.37821 -26.0571 -4.67901 -17.0641 2.37823 -17.064 -5.80302 GPRESSAVG: 4539600 -2.50038 -25.5583 1.32577 -25.9126 -4.54042 -15.9615 3.29503 -15.8661 -6.45882 TIMING: 4539600 CPU: 14403.5, 0.00315693/step Wall: 14403.5, 0.00315693/step, 0.403736 hours remaining, 241.523438 MB of memory in use. ENERGY: 4539600 3926.4569 20658.9704 14438.6936 260.1158 -203690.3792 2788.5339 0.0000 0.0000 52101.7127 -109515.8959 299.4293 -161617.6086 -109164.6823 300.3134 -64.1287 -26.3932 760135.6958 -4.5644 -4.4999 PRESSURE: 4539800 -36.1327 -25.6944 29.9302 -25.6948 -333.063 -105.207 29.9296 -105.207 -17.1582 GPRESSURE: 4539800 7.76734 -5.02745 -2.61649 -53.9416 -277.905 -88.5235 9.28479 -93.3502 -18.6166 PRESSAVG: 4539800 -33.8976 -38.8113 -24.3889 -38.8113 13.8706 3.68576 -24.3889 3.68569 9.66471 GPRESSAVG: 4539800 -33.6996 -42.1645 -25.6703 -36.913 14.1871 2.09862 -25.0946 4.51681 9.56223 TIMING: 4539800 CPU: 14404.1, 0.00318635/step Wall: 14404.1, 0.00318635/step, 0.407322 hours remaining, 241.523438 MB of memory in use. ENERGY: 4539800 3906.7077 20551.9240 14481.5209 244.3932 -203213.1847 2275.0387 0.0000 0.0000 52106.9562 -109646.6440 299.4594 -161753.6003 -109276.7687 299.4009 -128.7847 -96.2515 760315.6894 -3.4541 -3.3167 PRESSURE: 4540000 -365.029 -23.751 -53.1918 -23.75 41.0237 -244.2 -53.1915 -244.199 -160.071 GPRESSURE: 4540000 -354.876 -1.09036 -66.8114 -35.0195 77.6181 -98.5131 59.6594 -232.65 -125.77 PRESSAVG: 4540000 -46.6119 -37.8696 25.8031 -37.8696 40.5945 -23.8154 25.8032 -23.8153 18.6562 GPRESSAVG: 4540000 -46.0171 -33.7391 26.7774 -40.3803 40.6981 -22.3069 28.0947 -25.7187 18.7895 TIMING: 4540000 CPU: 14404.8, 0.00318373/step Wall: 14404.8, 0.00318373/step, 0.40681 hours remaining, 241.523438 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: 4540000 3989.1427 20480.2530 14444.6356 254.1923 -202848.1446 2087.4667 0.0000 0.0000 52107.0884 -109485.3659 299.4602 -161592.4543 -109115.0683 299.5807 -161.3586 -134.3426 761524.6600 4.2129 4.4901 PRESSURE: 4540200 -259.326 -96.8543 -69.9204 -96.8545 -198.235 -199.116 -69.9204 -199.116 -675.561 GPRESSURE: 4540200 -259.974 -98.4055 10.7876 -18.3367 -173.121 -257.242 -89.8544 -229.955 -615.208 PRESSAVG: 4540200 24.7258 -58.7464 -10.5307 -58.7464 -34.949 -3.30391 -10.5306 -3.30394 11.842 GPRESSAVG: 4540200 23.427 -59.9446 -11.9231 -57.6648 -34.3777 -3.03172 -11.3642 -2.24931 12.5298 TIMING: 4540200 CPU: 14405.4, 0.00315265/step Wall: 14405.4, 0.00315265/step, 0.402664 hours remaining, 241.523438 MB of memory in use. ENERGY: 4540200 4069.0347 20485.6103 14474.8556 254.3866 -203128.3567 2417.7495 0.0000 0.0000 52073.8639 -109352.8562 299.2692 -161426.7201 -108993.6838 299.5963 -377.7074 -349.4343 762878.9617 0.5396 0.5264 LDB: ============= START OF LOAD BALANCING ============== 14417.9 LDB: ============== END OF LOAD BALANCING =============== 14417.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14417.9 LDB: ============= START OF LOAD BALANCING ============== 14418.2 LDB: Largest compute 7060 load 0.033931 is 17.4% of average load 0.195565 LDB: Average compute 0.004370 is 2.2% of average load 0.195565 LDB: TIME 14418.2 LOAD: AVG 0.195565 MAX 0.216438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.707 MB LDB: TIME 14418.2 LOAD: AVG 0.195565 MAX 0.216438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.91 MB LDB: TIME 14418.2 LOAD: AVG 0.195565 MAX 0.216438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.91 MB LDB: ============== END OF LOAD BALANCING =============== 14418.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14418.2 PRESSURE: 4540400 77.7082 -32.0286 -108.336 -32.0281 -46.2748 54.0353 -108.337 54.036 -100.588 GPRESSURE: 4540400 121.535 8.6825 -30.5484 -51.4908 -58.1812 44.2712 -167.541 36.5428 -52.8688 PRESSAVG: 4540400 3.07367 41.8821 -23.3653 41.8821 5.24989 22.4071 -23.3653 22.4071 2.10918 GPRESSAVG: 4540400 4.89565 41.9631 -21.9198 42.5556 5.4427 20.6447 -24.1503 21.9437 0.334065 TIMING: 4540400 CPU: 14406.1, 0.00321008/step Wall: 14406.1, 0.00321008/step, 0.409821 hours remaining, 240.355469 MB of memory in use. ENERGY: 4540400 3951.9517 20656.2565 14521.0549 262.9721 -203365.7612 2586.3747 0.0000 0.0000 51984.0141 -109403.1371 298.7528 -161387.1512 -109048.3572 299.7730 -23.0516 3.4951 761614.2305 3.4776 3.5575 PRESSURE: 4540600 78.0902 -24.2625 33.6555 -24.2623 26.7152 -65.4451 33.6557 -65.4458 -198.738 GPRESSURE: 4540600 156.752 -101.633 -57.4924 95.6587 20.8261 26.6175 7.39238 -62.391 -177.512 PRESSAVG: 4540600 -11.9626 -20.6207 4.48 -20.6207 34.6533 6.4928 4.48007 6.49277 1.80978 GPRESSAVG: 4540600 -12.4854 -20.7763 2.88121 -21.6623 34.2291 8.69006 3.3691 5.71294 2.88008 TIMING: 4540600 CPU: 14406.7, 0.00315348/step Wall: 14406.7, 0.00315348/step, 0.402418 hours remaining, 240.355469 MB of memory in use. ENERGY: 4540600 3930.5257 20513.8696 14491.8719 245.5611 -203264.4610 2661.8491 0.0000 0.0000 52077.7598 -109343.0239 299.2916 -161420.7836 -108989.2994 299.6756 -31.3108 0.0218 762603.4239 8.1668 8.2079 PRESSURE: 4540800 242.061 -166.118 -92.3881 -166.118 -390.317 -255.403 -92.3891 -255.403 -208.366 GPRESSURE: 4540800 267.981 -169.296 -100.314 -175.418 -285.279 -156.246 -100.299 -429.268 -255.017 PRESSAVG: 4540800 -0.871898 -33.5132 -8.56441 -33.5132 20.7022 4.35002 -8.56449 4.34998 -0.418907 GPRESSAVG: 4540800 -1.10558 -32.8995 -7.46069 -33.9779 21.4695 3.92771 -8.31714 4.92995 -0.883586 TIMING: 4540800 CPU: 14407.3, 0.00314615/step Wall: 14407.3, 0.00314615/step, 0.401309 hours remaining, 240.355469 MB of memory in use. ENERGY: 4540800 3972.8887 20498.4451 14419.7741 250.3902 -202904.4423 2296.5137 0.0000 0.0000 52219.0701 -109247.3604 300.1037 -161466.4305 -108884.3510 299.8123 -118.8738 -90.7718 761610.1209 6.4705 6.4934 PRESSURE: 4541000 -253.302 52.097 35.5644 52.097 -4.87299 -249.74 35.564 -249.74 234.142 GPRESSURE: 4541000 -105.646 62.0733 155.708 -21.0413 -11.1993 -237.754 -36.0611 -172.269 171.223 PRESSAVG: 4541000 -31.9598 -27.316 23.1264 -27.3161 19.475 -34.0109 23.1264 -34.0109 2.08851 GPRESSAVG: 4541000 -31.7237 -28.4329 23.599 -26.541 18.7397 -35.0662 22.4783 -33.1305 2.57809 TIMING: 4541000 CPU: 14407.9, 0.00314645/step Wall: 14407.9, 0.00314645/step, 0.401173 hours remaining, 240.355469 MB of memory in use. ENERGY: 4541000 4004.0997 20375.7291 14446.7102 257.8269 -203243.6960 2547.2655 0.0000 0.0000 52283.5215 -109328.5430 300.4741 -161612.0645 -108970.4832 299.8101 -8.0109 18.1260 762619.5153 -3.4654 -3.4686 PRESSURE: 4541200 -349.683 251.165 -58.8933 251.165 -163.66 -30.1896 -58.894 -30.1899 -77.5202 GPRESSURE: 4541200 -241.388 224.099 -23.7038 238.798 -159.327 -49.6518 -101.619 -86.5902 -90.6676 PRESSAVG: 4541200 -1.50606 25.331 -26.3866 25.3311 -6.13055 31.973 -26.3866 31.9729 -7.41546 GPRESSAVG: 4541200 -1.72855 25.4424 -24.8695 23.5966 -5.32069 33.7098 -25.6833 30.6416 -8.04804 TIMING: 4541200 CPU: 14408.6, 0.00315006/step Wall: 14408.6, 0.00315006/step, 0.401458 hours remaining, 240.355469 MB of memory in use. ENERGY: 4541200 4024.9781 20557.5132 14434.2159 246.1695 -203041.1867 2298.2609 0.0000 0.0000 52354.2422 -109125.8068 300.8805 -161480.0491 -108754.2417 300.1598 -196.9543 -163.7941 761344.2021 -5.0174 -5.0324 PRESSURE: 4541400 -30.7819 -79.0132 236.905 -79.0129 -540.072 155.159 236.905 155.158 7.24559 GPRESSURE: 4541400 32.5108 -64.3269 224.679 -53.8942 -495.379 143.357 235.777 61.5597 -9.22325 PRESSAVG: 4541400 -3.49099 -8.7364 28.3274 -8.73637 32.1744 20.3031 28.3274 20.3031 -9.7825 GPRESSAVG: 4541400 -3.16599 -7.93159 26.4628 -6.39225 32.2714 19.1626 28.3136 22.2848 -9.8424 TIMING: 4541400 CPU: 14409.2, 0.0031341/step Wall: 14409.2, 0.0031341/step, 0.39925 hours remaining, 240.355469 MB of memory in use. ENERGY: 4541400 3960.2286 20591.4906 14489.5951 236.7553 -203082.4848 2358.1966 0.0000 0.0000 52306.6197 -109139.5987 300.6069 -161446.2184 -108787.5366 300.2274 -187.8695 -157.3638 760808.3352 6.3003 6.4210 PRESSURE: 4541600 -189.548 -139.959 268.965 -139.958 -158.171 -148.777 268.965 -148.778 -133.269 GPRESSURE: 4541600 -208.843 -40.4022 219.439 -161.544 -48.1617 -174.283 126.194 -66.3242 -137.702 PRESSAVG: 4541600 -9.90634 -31.4135 0.191533 -31.4134 -10.4198 63.3573 0.19151 63.3574 6.56646 GPRESSAVG: 4541600 -9.73693 -31.9703 0.326561 -32.0357 -10.7218 64.1448 -0.252795 62.2097 6.46833 TIMING: 4541600 CPU: 14409.8, 0.00312228/step Wall: 14409.8, 0.00312228/step, 0.39757 hours remaining, 240.355469 MB of memory in use. ENERGY: 4541600 4034.5818 20594.7838 14489.0905 239.9949 -203016.6230 2273.0492 0.0000 0.0000 51837.0604 -109548.0624 297.9083 -161385.1228 -109177.9953 299.5950 -160.3291 -131.5686 759847.4670 -4.5866 -4.6635 PRESSURE: 4541800 244.75 125.533 -99.2282 125.533 158.476 227.36 -99.2288 227.361 -250.082 GPRESSURE: 4541800 310.91 70.8374 -168.775 154.192 149.385 220.983 -27.2823 274.081 -216.048 PRESSAVG: 4541800 -6.98466 -50.371 16.5291 -50.371 3.77618 -34.5526 16.5291 -34.5526 -11.4667 GPRESSAVG: 4541800 -7.69597 -49.4795 16.8187 -52.2759 3.90837 -37.2521 17.4428 -32.4501 -11.187 TIMING: 4541800 CPU: 14410.5, 0.00315546/step Wall: 14410.5, 0.00315546/step, 0.40162 hours remaining, 240.355469 MB of memory in use. ENERGY: 4541800 4109.9604 20446.8467 14474.4766 247.4766 -203559.1002 2579.6826 0.0000 0.0000 51997.5691 -109703.0882 298.8307 -161700.6573 -109347.2397 299.3787 51.0480 81.4154 758257.1311 -4.8917 -4.9915 PRESSURE: 4542000 257.816 177.327 -101.889 177.326 224.55 169.112 -101.889 169.112 -300.207 GPRESSURE: 4542000 285.654 100.654 -50.0577 216.361 280.561 143.846 -158.87 142.661 -289.441 PRESSAVG: 4542000 -32.5147 -25.9827 -52.0255 -25.9827 43.0851 8.46667 -52.0255 8.46664 24.546 GPRESSAVG: 4542000 -32.0453 -27.5579 -52.635 -25.8911 41.9535 9.39571 -53.8602 6.92556 24.8204 TIMING: 4542000 CPU: 14411.1, 0.0031405/step Wall: 14411.1, 0.0031405/step, 0.399541 hours remaining, 240.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4542000 4048.1240 20429.5254 14497.3186 232.6212 -203351.2962 2591.1016 0.0000 0.0000 51994.6588 -109557.9466 298.8140 -161552.6054 -109195.9840 298.6447 60.7196 92.2582 759510.0502 11.7055 11.5762 PRESSURE: 4542200 -244.877 -2.54923 75.6583 -2.54968 -104.483 -43.67 75.6578 -43.6694 -390.434 GPRESSURE: 4542200 -98.7911 -149.37 83.6717 28.3836 -145.732 30.4274 104.825 -47.0432 -413.188 PRESSAVG: 4542200 -37.9008 8.53741 28.4376 8.53741 4.80087 54.8081 28.4376 54.8081 11.8589 GPRESSAVG: 4542200 -39.3433 9.71178 29.5215 9.28423 6.02369 56.0616 28.3086 55.8511 11.9318 TIMING: 4542200 CPU: 14411.7, 0.00312344/step Wall: 14411.7, 0.00312343/step, 0.397197 hours remaining, 240.355469 MB of memory in use. ENERGY: 4542200 4063.2738 20619.2494 14438.8159 244.2895 -203459.4094 2486.2097 0.0000 0.0000 52084.2427 -109523.3283 299.3289 -161607.5710 -109154.6649 299.6219 -246.5981 -219.2371 759836.0315 -7.0803 -7.1293 PRESSURE: 4542400 -7.68427 -40.7022 -196.158 -40.7026 382.692 -73.0252 -196.159 -73.0259 406.701 GPRESSURE: 4542400 75.3853 2.43955 -141.79 79.6198 378.992 -94.9665 -200.969 -25.5395 396.664 PRESSAVG: 4542400 -45.8936 -16.8547 -20.5982 -16.8547 16.5262 -8.55631 -20.5982 -8.55624 -14.9484 GPRESSAVG: 4542400 -43.8205 -16.1013 -19.2296 -16.4953 13.9498 -9.48438 -19.176 -7.99421 -15.0799 TIMING: 4542400 CPU: 14412.3, 0.00312948/step Wall: 14412.3, 0.00312948/step, 0.397792 hours remaining, 240.355469 MB of memory in use. ENERGY: 4542400 3988.7950 20524.9736 14464.9980 272.2155 -203780.1774 2716.4082 0.0000 0.0000 52000.6646 -109812.1224 298.8485 -161812.7871 -109443.2564 299.1408 260.5697 283.6805 761214.3028 -14.7720 -14.9835 PRESSURE: 4542600 -131.015 -33.0529 -344.923 -33.0523 85.2923 139.098 -344.923 139.099 162.662 GPRESSURE: 4542600 -59.963 -75.8443 -335.299 -71.7402 109.696 144.367 -206.869 28.7425 147.633 PRESSAVG: 4542600 -40.5969 3.37659 -58.7124 3.37657 58.1037 15.2836 -58.7124 15.2836 -19.4583 GPRESSAVG: 4542600 -42.1332 1.55521 -60.0887 4.11469 59.2206 14.3451 -61.6238 13.8433 -19.2809 TIMING: 4542600 CPU: 14413, 0.00314205/step Wall: 14413, 0.00314205/step, 0.399214 hours remaining, 240.355469 MB of memory in use. ENERGY: 4542600 4105.0069 20551.1779 14405.4579 239.4846 -204191.6132 2982.0239 0.0000 0.0000 52048.9070 -109859.5550 299.1258 -161908.4620 -109502.4075 298.7771 38.9796 65.7888 760285.5767 -0.6505 -0.7312 PRESSURE: 4542800 -79.3178 246.855 131.931 246.855 -147.16 180.947 131.931 180.947 -238.475 GPRESSURE: 4542800 -116.117 147.827 32.7224 347.55 -25.1313 199.389 173.359 186.433 -239.405 PRESSAVG: 4542800 -35.8016 -28.7696 -53.6674 -28.7696 63.1184 5.10615 -53.6674 5.10613 -19.1223 GPRESSAVG: 4542800 -35.0646 -28.5811 -55.1913 -28.3691 62.8769 6.10107 -51.0654 5.32709 -19.9655 TIMING: 4542800 CPU: 14413.6, 0.00312959/step Wall: 14413.6, 0.00312959/step, 0.397458 hours remaining, 240.355469 MB of memory in use. ENERGY: 4542800 4009.7036 20701.0609 14471.2987 218.8649 -203295.5642 2435.5485 0.0000 0.0000 51655.2258 -109803.8619 296.8633 -161459.0877 -109441.6584 298.8003 -154.9843 -126.8845 759657.8117 2.7315 2.6156 PRESSURE: 4543000 -207.882 100.074 -138.734 100.074 -191.541 -152.792 -138.734 -152.791 288.936 GPRESSURE: 4543000 -190.335 38.6282 -176.364 109.331 -194.183 -140.84 -122.901 -226.166 357.342 PRESSAVG: 4543000 9.74189 -30.3578 -8.87205 -30.3578 17.8697 15.5618 -8.87205 15.5618 8.43576 GPRESSAVG: 4543000 8.82922 -29.9056 -9.13353 -31.5494 18.0336 14.7752 -10.9136 17.5101 9.03141 TIMING: 4543000 CPU: 14414.2, 0.00313956/step Wall: 14414.2, 0.00313956/step, 0.39855 hours remaining, 240.355469 MB of memory in use. ENERGY: 4543000 4018.4228 20664.0728 14475.4011 255.2035 -203356.3685 2178.5500 0.0000 0.0000 51897.0574 -109867.6609 298.2531 -161764.7183 -109511.7897 299.0794 -36.8288 -9.0583 759935.4785 12.0158 11.9648 PRESSURE: 4543200 -175.492 -69.6954 -120.225 -69.6963 -137.656 -162.297 -120.226 -162.298 143.585 GPRESSURE: 4543200 -68.2882 -4.53542 -169.171 7.13423 -161.142 -152.623 -94.0206 -88.2359 143.653 PRESSAVG: 4543200 -5.42295 37.5517 10.2392 37.5517 23.1744 -96.4806 10.2393 -96.4805 23.3981 GPRESSAVG: 4543200 -5.9566 39.0225 12.41 38.3773 23.985 -95.3072 9.27693 -98.1588 23.2225 TIMING: 4543200 CPU: 14414.8, 0.00314008/step Wall: 14414.8, 0.00314008/step, 0.398441 hours remaining, 240.355469 MB of memory in use. ENERGY: 4543200 3992.4936 20512.5583 14467.2500 246.2771 -203638.5966 2398.3942 0.0000 0.0000 52042.4671 -109979.1563 299.0888 -162021.6234 -109622.6010 298.8505 -56.5211 -28.5922 759957.3974 13.7165 13.7503 PRESSURE: 4543400 -57.2507 -87.8139 -73.3123 -87.8135 -232.165 37.009 -73.3116 37.0081 94.6915 GPRESSURE: 4543400 3.64828 -36.0626 -59.7687 -34.3843 -248.574 46.9497 -34.5388 109.115 130.25 PRESSAVG: 4543400 -32.002 8.464 -1.26947 8.46408 49.9549 -40.257 -1.26946 -40.2572 8.87667 GPRESSAVG: 4543400 -30.3233 7.76343 -3.87868 6.97393 48.3231 -40.3279 -1.65899 -39.1986 9.15677 TIMING: 4543400 CPU: 14415.5, 0.00314813/step Wall: 14415.5, 0.00314812/step, 0.399287 hours remaining, 240.355469 MB of memory in use. ENERGY: 4543400 4017.0777 20493.2298 14449.0105 257.5627 -203212.9794 2215.2486 0.0000 0.0000 52043.3742 -109737.4759 299.0940 -161780.8502 -109376.3358 299.2607 -64.9080 -38.2252 760069.1645 8.9432 9.0522 PRESSURE: 4543600 -289.401 238.058 -211.339 238.058 73.248 36.231 -211.338 36.2303 -5.88851 GPRESSURE: 4543600 -231.699 181.968 -220.88 132.827 52.5235 -38.9488 -198.199 -112.42 64.2157 PRESSAVG: 4543600 -55.8021 -18.3827 -63.492 -18.3827 61.8621 14.6381 -63.492 14.6381 -1.88872 GPRESSAVG: 4543600 -58.0971 -19.386 -62.695 -18.8448 63.0353 14.1391 -62.3365 13.3134 -1.10305 TIMING: 4543600 CPU: 14416.1, 0.00314546/step Wall: 14416.1, 0.00314546/step, 0.398775 hours remaining, 240.355469 MB of memory in use. ENERGY: 4543600 3962.4691 20578.5303 14521.9700 257.2616 -203328.1854 2438.0411 0.0000 0.0000 51950.8130 -109619.1003 298.5620 -161569.9133 -109258.3869 299.5162 -74.0138 -38.3200 759266.1935 1.3904 1.2784 PRESSURE: 4543800 -144.054 -180.076 -90.4617 -180.076 -21.7496 -104.465 -90.4616 -104.465 234.141 GPRESSURE: 4543800 9.41966 -106.011 -140.049 -213.686 -53.6624 -93.7369 25.7623 -52.7842 210.686 PRESSAVG: 4543800 11.7307 -55.6182 -43.895 -55.6182 0.18928 -1.24402 -43.895 -1.24405 -6.42326 GPRESSAVG: 4543800 13.718 -54.7993 -43.4487 -56.4156 0.145363 -1.15242 -44.0244 -0.554983 -8.33739 TIMING: 4543800 CPU: 14416.7, 0.00313538/step Wall: 14416.7, 0.00313538/step, 0.397323 hours remaining, 240.355469 MB of memory in use. ENERGY: 4543800 3966.0053 20596.6712 14471.5521 240.7980 -203502.4106 2457.8038 0.0000 0.0000 51860.0764 -109909.5038 298.0406 -161769.5802 -109545.3901 298.7378 22.7793 55.4812 759922.4845 1.8323 1.8420 PRESSURE: 4544000 437.636 18.4185 13.7284 18.4182 4.42746 -20.7309 13.7278 -20.7294 335.995 GPRESSURE: 4544000 405.881 88.438 -20.2899 -40.0796 82.6629 -36.6857 17.0378 6.65982 369.169 PRESSAVG: 4544000 51.5079 -26.9063 -11.7179 -26.9063 -27.7284 9.32503 -11.718 9.32502 -1.34353 GPRESSAVG: 4544000 49.807 -26.728 -10.4636 -24.7503 -28.5368 9.01043 -10.9461 11.1097 0.876814 TIMING: 4544000 CPU: 14417.4, 0.00313802/step Wall: 14417.4, 0.00313802/step, 0.397483 hours remaining, 240.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4544000 3912.5338 20487.0076 14492.1228 235.4207 -203815.0764 2710.6951 0.0000 0.0000 52169.3383 -109807.9581 299.8179 -161977.2963 -109448.7900 298.8494 259.3526 285.9041 758438.9847 7.4787 7.3823 PRESSURE: 4544200 -154.528 -67.5998 86.3359 -67.5991 -72.326 -8.59954 86.3358 -8.59947 -471.305 GPRESSURE: 4544200 -67.9166 -134.554 107.3 -126.188 -43.1963 29.7189 -55.9102 -43.5952 -510.44 PRESSAVG: 4544200 -3.84296 -7.11647 -21.3304 -7.11645 55.9413 -44.3435 -21.3304 -44.3435 13.4427 GPRESSAVG: 4544200 -1.39713 -8.50855 -23.6032 -8.57253 55.5374 -44.4514 -23.1971 -45.8618 11.6839 TIMING: 4544200 CPU: 14418, 0.00313322/step Wall: 14418, 0.00313322/step, 0.396701 hours remaining, 240.355469 MB of memory in use. ENERGY: 4544200 4013.0605 20280.0020 14561.4369 233.7764 -203240.0308 2313.5584 0.0000 0.0000 52265.7260 -109572.4706 300.3718 -161838.1966 -109208.9966 299.0872 -232.7198 -207.1842 759696.1254 21.8470 21.9414 LDB: ============= START OF LOAD BALANCING ============== 14430.4 LDB: ============== END OF LOAD BALANCING =============== 14430.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14430.4 LDB: ============= START OF LOAD BALANCING ============== 14430.7 LDB: Largest compute 7060 load 0.034308 is 17.5% of average load 0.195532 LDB: Average compute 0.004362 is 2.2% of average load 0.195532 LDB: TIME 14430.7 LOAD: AVG 0.195532 MAX 0.218637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 14430.7 LOAD: AVG 0.195532 MAX 0.218637 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 14430.7 LOAD: AVG 0.195532 MAX 0.218061 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 14430.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14430.8 PRESSURE: 4544400 -230.955 6.57496 118.102 6.57586 -195.067 73.4505 118.104 73.4505 -73.2522 GPRESSURE: 4544400 -261.604 74.4529 31.6516 43.699 -78.1945 161.184 102.506 -75.2854 -75.8512 PRESSAVG: 4544400 -53.7714 -37.2334 -13.0196 -37.2334 39.0575 1.7536 -13.0196 1.75363 -3.55108 GPRESSAVG: 4544400 -55.8432 -35.2195 -12.5359 -36.6807 39.4832 2.17872 -12.9661 1.7149 -1.89873 TIMING: 4544400 CPU: 14418.6, 0.0031772/step Wall: 14418.6, 0.0031772/step, 0.402092 hours remaining, 240.808594 MB of memory in use. ENERGY: 4544400 3974.6084 20429.7722 14428.1874 243.5534 -202739.4633 2100.6778 0.0000 0.0000 52142.6748 -109419.9894 299.6647 -161562.6641 -109053.0149 299.4210 -166.4246 -138.5498 763549.6488 -6.0883 -6.0863 PRESSURE: 4544600 224.502 -121.9 102.315 -121.9 296.58 -76.9247 102.315 -76.925 341.409 GPRESSURE: 4544600 200.744 -216.999 110.347 -87.0782 356.387 10.5232 121.632 -105.408 399.6 PRESSAVG: 4544600 -52.6425 -43.2688 -8.89506 -43.2688 59.1434 -84.846 -8.89509 -84.846 -20.3693 GPRESSAVG: 4544600 -52.4023 -43.8727 -7.74535 -44.0636 59.615 -85.7378 -7.50836 -84.0813 -21.0862 TIMING: 4544600 CPU: 14419.2, 0.00313777/step Wall: 14419.2, 0.00313777/step, 0.396928 hours remaining, 240.808594 MB of memory in use. ENERGY: 4544600 3892.4614 20668.3809 14445.0125 237.3916 -203729.3820 3055.0506 0.0000 0.0000 52002.4774 -109428.6076 298.8590 -161431.0851 -109066.9386 299.1603 287.4970 318.9101 761267.6206 -4.6228 -4.6245 PRESSURE: 4544800 121.963 24.8006 -323.56 24.7997 82.1053 -347.094 -323.558 -347.095 364.446 GPRESSURE: 4544800 267.434 65.6695 -203.479 11.957 75.3697 -286.802 -227.221 -263.104 305.392 PRESSAVG: 4544800 42.1577 -6.95701 -18.655 -6.95708 -8.38287 -22.7279 -18.655 -22.7279 -4.02577 GPRESSAVG: 4544800 43.3886 -7.14208 -19.7273 -8.06834 -8.90212 -21.6577 -18.2026 -23.9037 -4.41883 TIMING: 4544800 CPU: 14419.9, 0.00314489/step Wall: 14419.9, 0.00314489/step, 0.397654 hours remaining, 240.808594 MB of memory in use. ENERGY: 4544800 3951.4161 20405.7814 14483.3840 250.6562 -203316.4279 2640.2010 0.0000 0.0000 52202.4447 -109382.5446 300.0082 -161584.9893 -109021.1452 299.3060 189.5050 216.0653 760259.0303 9.9164 10.0225 PRESSURE: 4545000 330.848 -73.7637 22.0469 -73.7649 -36.6904 277.865 22.0465 277.865 -78.6659 GPRESSURE: 4545000 368.513 34.9607 -75.0385 38.3942 22.344 332.345 115.971 214.479 -85.2063 PRESSAVG: 4545000 -10.1596 -4.41661 13.8178 -4.41665 24.3283 -5.8577 13.8178 -5.85765 26.212 GPRESSAVG: 4545000 -9.13024 -5.10996 15.0383 -1.03012 23.6141 -7.15722 10.9357 -3.61521 25.942 TIMING: 4545000 CPU: 14420.5, 0.00312843/step Wall: 14420.5, 0.00312843/step, 0.395399 hours remaining, 240.808594 MB of memory in use. ENERGY: 4545000 4024.8057 20499.7047 14482.8304 246.7459 -202901.8997 2471.1782 0.0000 0.0000 51820.2865 -109356.3483 297.8119 -161176.6347 -108995.6145 299.2545 71.8307 101.8837 761195.2713 13.4602 13.4753 PRESSURE: 4545200 -46.4597 -34.1183 34.1034 -34.1195 90.507 34.5799 34.1038 34.5797 141.246 GPRESSURE: 4545200 -2.79354 11.9298 34.4164 -42.1964 151.737 26.0836 87.4986 25.863 126.604 PRESSAVG: 4545200 -4.85173 23.0173 -0.735998 23.0174 -4.68515 32.2007 -0.735976 32.2007 -1.44279 GPRESSAVG: 4545200 -6.44703 23.9618 -0.851469 22.0657 -3.53368 34.6269 1.84373 28.9225 -1.23086 TIMING: 4545200 CPU: 14421.1, 0.0031224/step Wall: 14421.1, 0.0031224/step, 0.394463 hours remaining, 240.808594 MB of memory in use. ENERGY: 4545200 3957.2927 20553.9189 14441.0337 249.2892 -202885.9632 2412.8636 0.0000 0.0000 51919.9426 -109351.6224 298.3846 -161271.5650 -108998.8171 299.2971 61.7645 91.8489 759781.9518 -3.6599 -3.7372 PRESSURE: 4545400 -48.3212 -138.986 -73.8643 -138.986 313.915 -161.193 -73.8638 -161.193 275.878 GPRESSURE: 4545400 -29.6171 -131.587 41.8232 -157.507 328.479 -102.144 -191.513 -128.044 341.458 PRESSAVG: 4545400 -8.7707 0.159769 -46.0135 0.159763 -16.2372 -28.2618 -46.0135 -28.2618 -10.0787 GPRESSAVG: 4545400 -8.95496 0.321554 -45.6493 -1.18072 -16.0975 -27.5418 -46.6508 -25.9022 -10.2333 TIMING: 4545400 CPU: 14421.7, 0.00312592/step Wall: 14421.7, 0.00312592/step, 0.394735 hours remaining, 240.808594 MB of memory in use. ENERGY: 4545400 3967.6534 20540.3001 14479.3810 247.0083 -203018.7389 2453.8755 0.0000 0.0000 52011.9788 -109318.5418 298.9136 -161330.5205 -108955.1748 299.2505 180.4907 213.4398 759970.4324 -11.6955 -11.7619 PRESSURE: 4545600 109.455 174.28 284.605 174.279 -141.493 -63.914 284.605 -63.9134 438.52 GPRESSURE: 4545600 175.264 160.446 225.308 181.88 -34.336 -68.1446 291.959 -109.559 349.163 PRESSAVG: 4545600 18.3635 -14.5595 1.48229 -14.5595 -18.0711 25.1221 1.48232 25.1221 -17.2096 GPRESSAVG: 4545600 18.8366 -16.5057 0.187463 -14.2552 -17.4325 22.0541 1.97673 24.216 -17.5162 TIMING: 4545600 CPU: 14422.4, 0.00314281/step Wall: 14422.4, 0.00314281/step, 0.396693 hours remaining, 240.808594 MB of memory in use. ENERGY: 4545600 3939.0597 20360.1040 14474.8412 270.4267 -203406.9917 2508.1426 0.0000 0.0000 52440.8080 -109413.6094 301.3780 -161854.4174 -109041.0355 299.3382 135.4941 163.3636 759892.2708 -5.6391 -5.3707 PRESSURE: 4545800 46.872 -91.6017 -243.772 -91.601 -234.647 133.817 -243.772 133.817 -204.101 GPRESSURE: 4545800 12.5475 -83.947 -214.8 -159.031 -168.451 50.3511 -208.853 107.432 -145.819 PRESSAVG: 4545800 1.67908 10.4567 10.2048 10.4567 20.0169 20.2547 10.2048 20.2546 1.54003 GPRESSAVG: 4545800 2.62097 11.4482 10.9659 10.2898 18.8072 21.083 7.48205 21.5342 1.97936 TIMING: 4545800 CPU: 14423, 0.00312916/step Wall: 14423, 0.00312916/step, 0.394796 hours remaining, 240.808594 MB of memory in use. ENERGY: 4545800 4006.0902 20532.9725 14387.7574 235.8866 -202854.9647 2268.5843 0.0000 0.0000 52076.7291 -109346.9447 299.2857 -161423.6738 -108989.3610 299.2754 -130.6253 -100.5743 761851.6160 7.7453 7.8025 PRESSURE: 4546000 -152.253 358.877 17.9591 358.877 -107.387 70.0522 17.9583 70.0508 -227.854 GPRESSURE: 4546000 -88.1247 328.296 97.954 330.538 -99.5732 22.8774 21.8465 161.315 -200.355 PRESSAVG: 4546000 32.9676 -7.08055 19.1333 -7.08055 -20.1411 30.2343 19.1333 30.2343 -9.89095 GPRESSAVG: 4546000 32.8872 -9.80448 18.5188 -5.56877 -20.3827 30.2111 20.6337 31.2625 -9.1393 TIMING: 4546000 CPU: 14423.6, 0.00312282/step Wall: 14423.6, 0.00312282/step, 0.393822 hours remaining, 240.808594 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 4037.7417 20556.0314 14553.7235 253.5454 -203319.9880 2470.7417 0.0000 0.0000 52301.5769 -109146.6274 300.5779 -161448.2043 -108795.4032 300.2187 -162.4981 -129.3509 761049.0657 0.9785 1.1217 PRESSURE: 4546200 -20.8192 -284.738 1.41014 -284.738 -131.974 65.0793 1.41035 65.0796 -400.936 GPRESSURE: 4546200 -74.1824 -299.192 -17.9084 -274.284 -75.2821 42.9097 149.111 31.1607 -294.889 PRESSAVG: 4546200 35.9811 -27.8643 -35.4409 -27.8642 -64.5325 -62.2073 -35.4408 -62.2074 0.474169 GPRESSAVG: 4546200 34.1469 -25.1003 -34.5718 -27.845 -62.8853 -60.2097 -36.0803 -63.4806 0.669975 TIMING: 4546200 CPU: 14424.3, 0.00312901/step Wall: 14424.3, 0.00312901/step, 0.394429 hours remaining, 240.808594 MB of memory in use. ENERGY: 4546200 3981.6239 20581.7045 14481.6216 260.5483 -203293.6743 2702.0052 0.0000 0.0000 51977.9846 -109308.1862 298.7182 -161286.1708 -108928.4939 299.8319 -184.5764 -148.1178 761194.5852 -9.3591 -9.3561 PRESSURE: 4546400 -172.049 -201.068 -149.911 -201.068 121.222 -124.763 -149.91 -124.763 -334.093 GPRESSURE: 4546400 -163.522 -171.6 -195.657 -211.828 62.2375 -37.8581 -60.7287 -242.158 -198.763 PRESSAVG: 4546400 20.8251 -32.5695 -2.80758 -32.5695 -33.4698 -41.0365 -2.8075 -41.0365 -9.12929 GPRESSAVG: 4546400 22.2057 -32.4133 -3.28439 -34.0062 -34.2088 -42.204 -1.88712 -39.5488 -9.68279 TIMING: 4546400 CPU: 14424.9, 0.0031427/step Wall: 14424.9, 0.0031427/step, 0.39598 hours remaining, 240.808594 MB of memory in use. ENERGY: 4546400 4011.7315 20468.6141 14513.2896 248.4265 -203105.4604 2237.2916 0.0000 0.0000 52076.3996 -109549.7075 299.2838 -161626.1071 -109190.4792 299.4199 -128.3066 -100.0156 759996.4099 -7.2580 -7.2286 PRESSURE: 4546600 262.692 -8.86534 348.684 -8.86542 61.4911 246.803 348.684 246.803 394.62 GPRESSURE: 4546600 304.23 68.4463 382.103 18.4166 110.945 214.883 359.697 148.172 391.403 PRESSAVG: 4546600 -1.15063 -35.7314 45.3975 -35.7314 27.8983 -1.71502 45.3975 -1.71503 0.606019 GPRESSAVG: 4546600 -1.51541 -36.9369 44.7218 -34.9296 28.1871 -1.36707 47.2341 -5.42792 1.13588 TIMING: 4546600 CPU: 14425.5, 0.00316833/step Wall: 14425.5, 0.00316833/step, 0.399033 hours remaining, 240.808594 MB of memory in use. ENERGY: 4546600 4030.3072 20447.9545 14518.0414 276.3684 -203182.8670 2418.3167 0.0000 0.0000 52063.2210 -109428.6578 299.2080 -161491.8787 -109057.2054 299.5459 239.6009 268.8593 759806.7057 9.1179 9.2692 PRESSURE: 4546800 -126.802 115.475 94.6364 115.474 20.9555 -244.834 94.6361 -244.834 -82.6839 GPRESSURE: 4546800 -96.4825 146.841 95.1029 105.273 60.1689 -325.214 49.0549 -170.228 -67.6743 PRESSAVG: 4546800 -0.00516726 -61.5569 96.9781 -61.557 33.7314 -44.0017 96.9781 -44.0017 1.54887 GPRESSAVG: 4546800 1.58734 -58.3043 98.3623 -60.945 32.0991 -45.5446 95.0082 -42.6587 1.45942 TIMING: 4546800 CPU: 14426.1, 0.00315093/step Wall: 14426.1, 0.00315093/step, 0.396667 hours remaining, 240.808594 MB of memory in use. ENERGY: 4546800 4127.4127 20657.1552 14522.1314 260.7173 -203816.9477 2649.5277 0.0000 0.0000 52026.9588 -109573.0446 298.9996 -161600.0034 -109220.4714 299.4789 -62.8434 -34.6626 759455.2373 11.7584 11.7153 PRESSURE: 4547000 -49.4557 -45.4996 49.9493 -45.4996 53.7561 -85.4593 49.9496 -85.4602 248.654 GPRESSURE: 4547000 -18.8226 -51.2273 100.715 -139.319 134.26 -122.854 3.86006 -251.513 217.221 PRESSAVG: 4547000 -10.899 -41.6198 55.4527 -41.6199 -3.23274 -48.2544 55.4528 -48.2544 3.44865 GPRESSAVG: 4547000 -11.6325 -43.8879 56.0578 -42.838 -1.70732 -49.0882 54.3706 -44.6726 2.59034 TIMING: 4547000 CPU: 14426.8, 0.00315782/step Wall: 14426.8, 0.00315782/step, 0.397359 hours remaining, 240.808594 MB of memory in use. ENERGY: 4547000 3998.6559 20627.0585 14462.6071 255.4110 -203570.2365 2452.4044 0.0000 0.0000 52204.4956 -109569.6040 300.0200 -161774.0997 -109197.9291 300.1139 84.3182 110.8861 759423.4651 -3.5610 -3.5832 PRESSURE: 4547200 -146.802 -38.1097 -234.486 -38.1098 126.947 26.7771 -234.486 26.777 45.9403 GPRESSURE: 4547200 -97.5669 -39.1956 -247.843 -86.6147 92.8842 80.0719 -179.942 127.017 100.773 PRESSAVG: 4547200 8.71034 -15.9098 54.7003 -15.9098 8.06231 -5.26636 54.7003 -5.26643 11.3225 GPRESSAVG: 4547200 8.58979 -14.717 53.0374 -16.9389 7.27103 -3.37405 55.6704 -8.49816 11.8241 TIMING: 4547200 CPU: 14427.4, 0.00315133/step Wall: 14427.4, 0.00315133/step, 0.396367 hours remaining, 240.808594 MB of memory in use. ENERGY: 4547200 3998.0385 20645.3844 14530.3163 257.1905 -203505.1457 2555.6986 0.0000 0.0000 52207.5660 -109310.9514 300.0376 -161518.5174 -108946.5294 299.8282 8.6950 32.0302 760878.5614 9.3651 9.2283 PRESSURE: 4547400 71.2203 165.087 179.976 165.087 -148.16 -142.335 179.975 -142.335 92.0802 GPRESSURE: 4547400 146.948 190.778 170.298 261.053 -96.1636 -161.882 136.052 -167.501 41.7643 PRESSAVG: 4547400 1.48066 10.3782 -6.51642 10.3782 31.6458 31.3647 -6.51643 31.3647 16.6638 GPRESSAVG: 4547400 1.92907 9.04883 -4.96201 10.678 31.5879 32.4627 -7.10916 32.4299 16.5118 TIMING: 4547400 CPU: 14428, 0.00315393/step Wall: 14428, 0.00315393/step, 0.396519 hours remaining, 240.808594 MB of memory in use. ENERGY: 4547400 4063.9381 20669.7812 14438.7697 260.1333 -203117.4734 2185.1848 0.0000 0.0000 52069.5551 -109430.1111 299.2444 -161499.6662 -109076.0492 299.3719 5.0468 30.8496 759482.2655 16.5968 16.6763 PRESSURE: 4547600 -62.7906 -38.9821 -114.875 -38.9825 -241.291 -188.509 -114.876 -188.509 -524.621 GPRESSURE: 4547600 -29.4032 -49.3538 -139.732 -71.7771 -224.392 -171.611 -104.092 -236.227 -474.103 PRESSAVG: 4547600 14.0073 15.2437 13.7887 15.2436 -26.7869 -58.7167 13.7887 -58.7167 0.943862 GPRESSAVG: 4547600 12.8752 15.128 14.8242 16.0775 -25.8 -58.9486 13.3658 -58.5426 0.812834 TIMING: 4547600 CPU: 14428.7, 0.00315344/step Wall: 14428.7, 0.00315344/step, 0.396282 hours remaining, 240.808594 MB of memory in use. ENERGY: 4547600 4002.1219 20566.3995 14497.3812 270.4814 -203487.2822 2444.4438 0.0000 0.0000 52091.4443 -109615.0101 299.3702 -161706.4544 -109257.9603 299.0650 -276.2342 -242.6330 761339.0231 -3.9452 -4.0373 PRESSURE: 4547800 -128.923 -68.1057 -88.0424 -68.1056 81.2136 -1.48939 -88.0421 -1.48865 -165.006 GPRESSURE: 4547800 -62.5982 -210.786 -17.5039 -33.8909 162.291 64.1318 25.4221 -42.8256 -231.78 PRESSAVG: 4547800 30.9966 4.87418 49.066 4.87427 -19.5518 -81.7985 49.066 -81.7984 -6.78756 GPRESSAVG: 4547800 32.0902 4.09121 46.3835 2.7976 -20.2641 -83.0126 50.5525 -80.4138 -7.11931 TIMING: 4547800 CPU: 14429.3, 0.00314725/step Wall: 14429.3, 0.00314725/step, 0.395329 hours remaining, 240.808594 MB of memory in use. ENERGY: 4547800 3978.8013 20610.1431 14539.0236 256.2322 -203547.5543 2460.1050 0.0000 0.0000 52177.4696 -109525.7796 299.8646 -161703.2492 -109160.9168 299.2678 -70.9050 -44.0288 759629.9526 1.5524 1.5690 PRESSURE: 4548000 406.403 93.1779 129.52 93.177 262.788 110.788 129.52 110.789 88.796 GPRESSURE: 4548000 371.891 55.5823 62.7768 95.3694 351.534 187.259 114.005 -54.1718 139.137 PRESSAVG: 4548000 19.6327 -12.5708 -63.0681 -12.5709 14.4667 -73.2935 -63.0681 -73.2934 -0.534276 GPRESSAVG: 4548000 19.145 -11.0307 -61.934 -10.9427 14.8856 -72.7067 -63.3843 -74.8433 -0.286602 TIMING: 4548000 CPU: 14429.9, 0.00314194/step Wall: 14429.9, 0.00314194/step, 0.394488 hours remaining, 240.808594 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 3958.3361 20810.8807 14520.8509 237.1084 -203500.6747 2600.4841 0.0000 0.0000 52165.6487 -109207.3659 299.7967 -161373.0145 -108849.9417 299.6634 252.6623 287.5206 758773.4322 11.1884 11.2480 PRESSURE: 4548200 53.0415 -35.845 -74.1986 -35.8443 51.9403 -42.3976 -74.1986 -42.3967 207.817 GPRESSURE: 4548200 132.195 -124.501 -38.2717 -34.4488 18.5231 115.987 -46.8464 84.9008 254.74 PRESSAVG: 4548200 -5.36877 -39.0448 0.692169 -39.0448 20.5844 -30.2477 0.692113 -30.2475 -5.69474 GPRESSAVG: 4548200 -5.15278 -38.9327 0.285933 -38.5376 19.7482 -30.3602 0.536704 -31.8882 -5.37188 TIMING: 4548200 CPU: 14430.6, 0.0031748/step Wall: 14430.6, 0.0031748/step, 0.398437 hours remaining, 240.808594 MB of memory in use. ENERGY: 4548200 3974.8669 20654.6190 14472.7633 252.7918 -203251.5656 2618.5276 0.0000 0.0000 52226.1942 -109051.8028 300.1447 -161277.9970 -108700.9863 300.2054 104.2662 135.1527 759715.5816 3.1736 3.0745 LDB: ============= START OF LOAD BALANCING ============== 14443 LDB: ============== END OF LOAD BALANCING =============== 14443 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14443 LDB: ============= START OF LOAD BALANCING ============== 14443.3 LDB: Largest compute 7077 load 0.035069 is 17.9% of average load 0.195502 LDB: Average compute 0.004386 is 2.2% of average load 0.195502 LDB: TIME 14443.3 LOAD: AVG 0.195502 MAX 0.213913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.578 MB LDB: TIME 14443.3 LOAD: AVG 0.195502 MAX 0.213913 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: TIME 14443.3 LOAD: AVG 0.195502 MAX 0.213913 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.648 MB LDB: ============== END OF LOAD BALANCING =============== 14443.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14443.3 PRESSURE: 4548400 -194.359 -116.467 36.403 -116.467 -94.7428 -120.808 36.4032 -120.808 78.4924 GPRESSURE: 4548400 -215.735 -78.8556 38.2428 -32.848 -27.1599 -97.3739 93.143 6.50014 128.021 PRESSAVG: 4548400 -20.3663 -15.3108 25.2948 -15.3108 -8.74409 -23.8184 25.2949 -23.8184 -22.1437 GPRESSAVG: 4548400 -20.9537 -16.4553 25.8653 -14.7085 -8.67115 -23.8989 24.4737 -20.6662 -22.0562 TIMING: 4548400 CPU: 14431.2, 0.00319497/step Wall: 14431.2, 0.00319497/step, 0.400791 hours remaining, 239.835938 MB of memory in use. ENERGY: 4548400 3977.8545 20589.1103 14463.8286 259.7760 -203039.9376 2387.7737 0.0000 0.0000 52195.3832 -109166.2113 299.9676 -161361.5945 -108795.3929 300.4315 -70.2032 -38.2914 761469.2524 -17.0847 -17.2270 PRESSURE: 4548600 -174.057 -96.8237 -148.29 -96.823 20.3529 209.901 -148.289 209.901 -28.4537 GPRESSURE: 4548600 -145.947 -48.4183 -140.429 6.29206 -2.94877 92.6513 -20.1876 108.15 64.6599 PRESSAVG: 4548600 -2.02788 -12.6709 -13.699 -12.6709 -10.8647 48.0148 -13.699 48.0148 0.708633 GPRESSAVG: 4548600 -1.67803 -11.7233 -14.9326 -14.0803 -10.7414 48.1658 -13.4604 45.6809 0.353187 TIMING: 4548600 CPU: 14431.8, 0.00312708/step Wall: 14431.8, 0.00312708/step, 0.392101 hours remaining, 240.035156 MB of memory in use. ENERGY: 4548600 4073.4838 20490.4673 14500.6456 267.0579 -203123.1709 2419.1999 0.0000 0.0000 52159.9217 -109212.3947 299.7638 -161372.3164 -108850.6005 299.7764 -60.7194 -28.0785 759740.7191 -4.0613 -4.0221 PRESSURE: 4548800 -199.59 -46.5605 17.5241 -46.5606 152.228 -178.001 17.5235 -178.001 -120.085 GPRESSURE: 4548800 -107.578 -8.25645 22.2276 -52.7054 148.533 -237.615 2.6235 -210.438 -93.6519 PRESSAVG: 4548800 1.16354 -82.8083 -7.41786 -82.8084 -10.0585 -5.99342 -7.41784 -5.99339 -17.589 GPRESSAVG: 4548800 1.59562 -82.811 -6.33361 -84.1768 -11.1433 -6.41674 -7.32631 -6.09997 -17.0694 TIMING: 4548800 CPU: 14432.5, 0.00314156/step Wall: 14432.5, 0.00314156/step, 0.393742 hours remaining, 240.035156 MB of memory in use. ENERGY: 4548800 4025.0540 20576.3401 14514.0569 258.5651 -202792.1995 2308.5962 0.0000 0.0000 52115.5986 -108993.9887 299.5091 -161109.5872 -108629.7799 300.1746 -55.8155 -17.5656 760141.1703 -8.8280 -8.8723 PRESSURE: 4549000 91.0055 49.4299 99.5301 49.4291 36.2037 224.042 99.5305 224.043 -126.919 GPRESSURE: 4549000 147.541 116.455 128.775 32.553 19.6324 338.139 91.7356 170.372 -86.08 PRESSAVG: 4549000 19.0297 -57.0348 8.70007 -57.0348 -47.5757 5.07499 8.70003 5.075 -23.7066 GPRESSAVG: 4549000 18.412 -56.9701 8.51897 -52.4023 -45.7039 6.51098 6.43205 6.9969 -24.9731 TIMING: 4549000 CPU: 14433.1, 0.00313456/step Wall: 14433.1, 0.00313456/step, 0.392691 hours remaining, 240.035156 MB of memory in use. ENERGY: 4549000 4089.1282 20779.2676 14501.9508 248.9146 -203279.5312 2492.5385 0.0000 0.0000 52077.3440 -109090.3875 299.2892 -161167.7315 -108732.8164 300.2928 0.0966 27.0312 760789.5881 -17.4175 -17.4217 PRESSURE: 4549200 -217.448 -23.9917 247.764 -23.9916 -138.867 190.71 247.764 190.71 -3.66623 GPRESSURE: 4549200 -170.182 -112.415 124.851 -140.335 -95.559 141.237 204.3 17.8321 8.11672 PRESSAVG: 4549200 -15.8611 -15.0123 28.3746 -15.0124 40.4856 64.3604 28.3746 64.3605 5.53979 GPRESSAVG: 4549200 -15.7173 -14.3034 27.3968 -18.0138 39.2417 64.7253 30.7346 60.9508 6.57132 TIMING: 4549200 CPU: 14433.7, 0.00313824/step Wall: 14433.7, 0.00313824/step, 0.392977 hours remaining, 240.035156 MB of memory in use. ENERGY: 4549200 4050.3655 20620.7960 14577.8990 254.4313 -202781.7163 2274.6870 0.0000 0.0000 51907.9020 -109095.6354 298.3154 -161003.5375 -108730.1796 300.0812 -119.9937 -85.8746 763026.6556 10.0547 10.0319 PRESSURE: 4549400 -111.821 131.172 7.97644 131.172 -148.798 -250.57 7.97632 -250.57 -19.7488 GPRESSURE: 4549400 -97.7996 -20.0148 94.3983 132.569 -103.091 -313.208 117.232 -100.302 22.6325 PRESSAVG: 4549400 10.5857 20.0133 28.7791 20.0132 -7.0099 -1.42758 28.7791 -1.42752 -11.6599 GPRESSAVG: 4549400 8.99308 19.5905 30.3469 20.0589 -5.5199 -2.00109 28.4184 1.26961 -11.7365 TIMING: 4549400 CPU: 14434.3, 0.00313863/step Wall: 14434.3, 0.00313863/step, 0.392852 hours remaining, 240.035156 MB of memory in use. ENERGY: 4549400 4062.2126 20541.7021 14495.3740 245.8585 -203620.5759 2770.7586 0.0000 0.0000 52342.1913 -109162.4786 300.8113 -161504.6700 -108795.5452 300.1912 -93.4558 -59.4194 761713.7093 -2.6947 -2.7544 PRESSURE: 4549600 -212.462 -199.899 -77.1561 -199.899 -469.116 261.093 -77.1572 261.094 -175.545 GPRESSURE: 4549600 -184.545 -110.518 -115.849 -105.747 -376.931 307.228 -122.487 188.65 -199.491 PRESSAVG: 4549600 27.211 39.6609 -8.11902 39.661 -38.0045 -32.1234 -8.11906 -32.1234 6.12983 GPRESSAVG: 4549600 27.4952 38.2937 -7.22707 40.3786 -37.8361 -32.306 -8.85429 -29.1683 5.92894 TIMING: 4549600 CPU: 14435, 0.00315571/step Wall: 14435, 0.00315571/step, 0.394814 hours remaining, 240.035156 MB of memory in use. ENERGY: 4549600 3993.4578 20562.8873 14505.9187 250.7843 -203266.3575 2352.2757 0.0000 0.0000 52311.5937 -109289.4400 300.6354 -161601.0337 -108921.8245 299.7320 -285.7075 -253.6559 759764.0404 -1.5545 -1.4706 PRESSURE: 4549800 100.808 75.2064 308.662 75.2066 46.6439 -208.429 308.663 -208.429 -417.605 GPRESSURE: 4549800 179.745 40.9804 245.604 66.7713 81.7099 -212.59 153.686 -308.035 -432.588 PRESSAVG: 4549800 -33.0712 -53.5675 -8.55375 -53.5675 -4.11476 -33.2959 -8.5537 -33.2959 12.7631 GPRESSAVG: 4549800 -34.0854 -53.719 -10.8668 -52.7801 -4.50036 -32.8849 -8.80639 -36.0594 13.6689 TIMING: 4549800 CPU: 14435.6, 0.00313384/step Wall: 14435.6, 0.00313384/step, 0.391904 hours remaining, 240.035156 MB of memory in use. ENERGY: 4549800 4015.5853 20655.3209 14494.0660 242.0824 -203105.1863 2433.3840 0.0000 0.0000 51981.1502 -109283.5974 298.7364 -161264.7476 -108923.0607 299.7756 -90.0511 -57.0443 760288.2033 -8.1410 -8.3056 PRESSURE: 4550000 -79.6726 -39.014 1.98291 -39.0145 180.323 291.105 1.98179 291.105 314.134 GPRESSURE: 4550000 -16.8506 95.9462 -56.9405 -64.7499 260.365 276.885 55.4656 266.366 256.648 PRESSAVG: 4550000 -58.5242 -18.9939 -6.04086 -18.994 98.1361 32.3734 -6.04095 32.3735 29.6289 GPRESSAVG: 4550000 -56.5198 -14.6307 -5.41231 -19.7349 98.7868 31.5472 -4.21824 33.3843 27.3421 TIMING: 4550000 CPU: 14436.2, 0.00313648/step Wall: 14436.2, 0.00313648/step, 0.39206 hours remaining, 240.035156 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: 4550000 4016.1701 20568.3127 14457.3975 221.4085 -203434.8714 2583.0421 0.0000 0.0000 52459.6673 -109128.8731 301.4864 -161588.5404 -108743.5598 299.9373 138.2616 166.7210 760386.7981 23.0803 23.2030 PRESSURE: 4550200 -188.529 69.4205 28.1354 69.4214 -11.9347 125.534 28.1355 125.534 -11.7597 GPRESSURE: 4550200 -90.7669 4.81749 -25.6662 1.64755 -4.71476 81.1868 40.1466 165.464 -55.3079 PRESSAVG: 4550200 -13.7767 -40.741 17.3202 -40.741 -9.1743 -25.0074 17.3202 -25.0073 2.5522 GPRESSAVG: 4550200 -14.5953 -42.2923 16.3327 -39.8599 -9.95543 -24.8549 15.1715 -24.3109 4.03557 TIMING: 4550200 CPU: 14436.8, 0.00311837/step Wall: 14436.8, 0.00311837/step, 0.389623 hours remaining, 240.035156 MB of memory in use. ENERGY: 4550200 4060.8980 20640.4430 14520.0862 248.7068 -203080.0541 2368.2396 0.0000 0.0000 52130.0786 -109111.6020 299.5923 -161241.6806 -108753.0544 300.3775 -70.7411 -50.2632 758779.5764 -6.7996 -6.8384 PRESSURE: 4550400 -0.112351 -100.397 -291.712 -100.396 -190.769 -166.67 -291.712 -166.669 398.498 GPRESSURE: 4550400 47.0021 -23.3547 -271.353 14.3242 -58.056 -130.895 -243.414 -241.834 333.602 PRESSAVG: 4550400 -20.5424 21.9842 -22.8403 21.9842 -11.2389 -6.24841 -22.8402 -6.24843 12.4905 GPRESSAVG: 4550400 -21.1904 19.6277 -21.8519 21.9351 -10.0201 -5.98382 -21.0182 -6.84305 12.002 TIMING: 4550400 CPU: 14437.5, 0.0031187/step Wall: 14437.5, 0.0031187/step, 0.389491 hours remaining, 240.035156 MB of memory in use. ENERGY: 4550400 4079.5243 20481.3627 14507.8752 234.2465 -203421.8248 2464.6472 0.0000 0.0000 52333.8124 -109320.3564 300.7631 -161654.1688 -108950.8734 300.4207 69.2054 107.5159 757249.5156 -6.4303 -6.4028 PRESSURE: 4550600 -161.621 -272.997 176.117 -272.996 -22.711 -28.567 176.117 -28.566 -264.021 GPRESSURE: 4550600 -72.0649 -263.631 137.504 -199.707 -17.0348 -96.154 170.849 -72.8416 -263.998 PRESSAVG: 4550600 -4.93566 35.8113 -51.366 35.8113 -21.7836 -69.2741 -51.3659 -69.2741 12.4956 GPRESSAVG: 4550600 -3.8167 37.4841 -51.7204 35.2094 -24.045 -68.6654 -51.9461 -71.0476 13.7694 TIMING: 4550600 CPU: 14438.1, 0.00316912/step Wall: 14438.1, 0.00316912/step, 0.395612 hours remaining, 240.035156 MB of memory in use. ENERGY: 4550600 3938.6173 20491.7505 14557.5889 257.6261 -203004.4964 2143.6461 0.0000 0.0000 52030.4825 -109584.7851 299.0199 -161615.2676 -109220.0851 299.4400 -149.4508 -117.6993 759233.2653 -4.7412 -4.6974 PRESSURE: 4550800 105.526 119.026 -32.7008 119.026 52.7751 -116.391 -32.7012 -116.391 -304.924 GPRESSURE: 4550800 132.258 151.209 5.62634 145.519 111.652 -178.408 102.211 -19.2798 -321.138 PRESSAVG: 4550800 48.1887 -15.196 -4.98095 -15.196 4.59533 -16.8549 -4.98099 -16.8549 -14.57 GPRESSAVG: 4550800 47.9058 -17.5479 -4.48101 -14.0956 5.28322 -18.3516 -4.4818 -15.6373 -14.5986 TIMING: 4550800 CPU: 14438.7, 0.00316443/step Wall: 14438.7, 0.00316443/step, 0.39485 hours remaining, 240.035156 MB of memory in use. ENERGY: 4550800 4017.5697 20572.7912 14510.0802 248.0406 -203625.4022 2316.3864 0.0000 0.0000 52528.7811 -109431.7530 301.8836 -161960.5341 -109069.7339 299.3412 -48.8743 -25.7428 757485.9910 12.7380 12.8635 PRESSURE: 4551000 7.88301 29.0554 -9.33046 29.0559 21.6753 129.16 -9.33113 129.16 -101.305 GPRESSURE: 4551000 145.286 -4.02246 42.0051 44.5073 22.7538 149.946 -11.4789 38.1801 -173.417 PRESSAVG: 4551000 4.51592 -23.6543 -24.2758 -23.6542 27.5536 -21.3865 -24.2757 -21.3864 -5.76201 GPRESSAVG: 4551000 4.39613 -22.6736 -23.2497 -23.463 27.3541 -21.6641 -26.4946 -19.1267 -5.47949 TIMING: 4551000 CPU: 14439.4, 0.00314952/step Wall: 14439.4, 0.00314952/step, 0.392815 hours remaining, 240.035156 MB of memory in use. ENERGY: 4551000 4039.4420 20660.1084 14509.0167 234.9175 -203152.6579 2224.8755 0.0000 0.0000 52189.5188 -109294.7790 299.9339 -161484.2978 -108928.9302 299.7412 -23.9155 -1.7924 759751.4319 8.7692 8.7569 PRESSURE: 4551200 53.0375 -116.212 19.5521 -116.211 -86.0572 140.594 19.5526 140.595 -256.668 GPRESSURE: 4551200 80.9164 -114.821 92.8815 -67.8447 -38.8759 137.345 15.4068 209.117 -246.87 PRESSAVG: 4551200 -49.4923 1.33561 -34.0995 1.33561 47.3044 -11.9876 -34.0995 -11.9876 -6.38243 GPRESSAVG: 4551200 -49.9131 3.3736 -34.4839 1.31594 48.6174 -9.5156 -31.5255 -12.6742 -6.85821 TIMING: 4551200 CPU: 14440, 0.00314355/step Wall: 14440, 0.00314355/step, 0.391896 hours remaining, 240.035156 MB of memory in use. ENERGY: 4551200 3998.6989 20536.2915 14487.3383 251.5975 -202817.2396 2186.4151 0.0000 0.0000 52000.0171 -109356.8811 298.8448 -161356.8983 -108999.0885 299.4149 -96.5624 -68.2766 760856.4403 -2.8568 -2.7180 PRESSURE: 4551400 -187.145 -3.15759 218.17 -3.15656 238.516 238.614 218.169 238.614 -180.138 GPRESSURE: 4551400 -32.8314 -151.234 215.969 116.75 201.947 236.032 259.037 61.653 -207.321 PRESSAVG: 4551400 42.0858 -7.37204 -12.4948 -7.37213 -4.1991 14.7436 -12.4948 14.7435 -2.06543 GPRESSAVG: 4551400 43.0403 -11.3212 -12.0516 -8.67273 -4.63199 13.9059 -14.4572 14.3411 -2.93212 TIMING: 4551400 CPU: 14440.6, 0.00314497/step Wall: 14440.6, 0.00314497/step, 0.391898 hours remaining, 240.035156 MB of memory in use. ENERGY: 4551400 4066.3669 20564.5843 14438.5077 241.0662 -203449.4586 2582.3795 0.0000 0.0000 52133.9371 -109422.6169 299.6145 -161556.5540 -109060.0553 299.4177 -42.9224 -12.7351 760767.9690 11.9404 11.8254 PRESSURE: 4551600 -497.259 -25.7572 -118.413 -25.7582 -365.763 -44.6402 -118.413 -44.6401 104.828 GPRESSURE: 4551600 -382.385 -19.8915 -72.7863 -39.2202 -353.089 -144.848 -140.307 52.5522 48.7384 PRESSAVG: 4551600 14.2294 -27.7581 34.3581 -27.7581 -1.79165 -19.4027 34.3581 -19.4027 6.56279 GPRESSAVG: 4551600 14.2444 -24.6301 34.85 -25.9163 -2.38255 -20.0033 35.8634 -22.1341 7.07476 TIMING: 4551600 CPU: 14441.3, 0.00313843/step Wall: 14441.3, 0.00313843/step, 0.390909 hours remaining, 240.035156 MB of memory in use. ENERGY: 4551600 4072.0406 20612.7464 14520.8920 252.3897 -202842.4715 2171.0967 0.0000 0.0000 52020.0481 -109193.2579 298.9599 -161213.3060 -108816.9431 299.7333 -252.7311 -228.9121 762741.1753 6.3335 6.3122 PRESSURE: 4551800 7.97511 -8.53665 -17.2283 -8.53599 -197.089 -55.1032 -17.2283 -55.1034 -333.235 GPRESSURE: 4551800 41.8496 -44.7013 -59.9654 -24.7351 -214.622 98.7663 29.9763 27.0121 -252.401 PRESSAVG: 4551800 -50.5356 -2.60459 4.76602 -2.60458 17.524 -42.7772 4.76604 -42.7772 10.7507 GPRESSAVG: 4551800 -51.1047 -3.21818 3.63837 -4.0719 17.9032 -42.0759 4.61444 -40.1969 11.0662 TIMING: 4551800 CPU: 14441.9, 0.00314891/step Wall: 14441.9, 0.00314891/step, 0.392039 hours remaining, 240.035156 MB of memory in use. ENERGY: 4551800 3983.4317 20596.5153 14486.3657 255.2511 -203284.9471 2451.6282 0.0000 0.0000 52271.8490 -109239.9062 300.4070 -161511.7552 -108875.2767 299.5350 -174.1163 -141.7244 761654.4882 -7.4203 -7.3784 PRESSURE: 4552000 -75.8328 -189.6 -6.99257 -189.6 25.493 -66.2484 -6.99299 -66.2478 -187.3 GPRESSURE: 4552000 -34.625 -60.4468 -89.7733 -223.8 35.836 -85.023 144.568 -209.34 -147.826 PRESSAVG: 4552000 -17.4579 -30.8927 15.4933 -30.8927 29.3697 -56.0284 15.4933 -56.0285 0.263878 GPRESSAVG: 4552000 -17.6173 -33.0903 16.5568 -30.015 29.441 -56.7021 14.9399 -57.1774 -0.38047 TIMING: 4552000 CPU: 14442.5, 0.00315659/step Wall: 14442.5, 0.00315659/step, 0.392821 hours remaining, 240.035156 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: 4552000 4051.3466 20505.1391 14510.8491 270.6019 -203244.8280 2534.0880 0.0000 0.0000 52277.3204 -109095.4829 300.4385 -161372.8033 -108729.8723 300.1560 -79.2133 -48.8715 760807.3171 4.0586 3.8144 PRESSURE: 4552200 -18.9593 -17.7296 74.3412 -17.7291 -393.347 51.2045 74.3406 51.2045 67.1666 GPRESSURE: 4552200 -37.6158 -82.5804 78.5238 -22.5837 -281.325 88.6765 49.498 167.875 48.9916 PRESSAVG: 4552200 11.0246 -38.5398 -24.2387 -38.5398 3.31901 -6.6745 -24.2386 -6.67454 17.749 GPRESSAVG: 4552200 10.4837 -36.1123 -24.5829 -39.2174 3.75937 -6.96784 -25.1486 -5.40288 17.1895 TIMING: 4552200 CPU: 14443.1, 0.00314409/step Wall: 14443.1, 0.00314409/step, 0.39109 hours remaining, 240.035156 MB of memory in use. ENERGY: 4552200 4008.5570 20558.8206 14459.7770 239.2761 -202821.8765 2205.8243 0.0000 0.0000 52025.7074 -109323.9141 298.9925 -161349.6215 -108959.0736 300.0864 -115.0465 -89.9831 760687.1593 10.6976 10.4775 LDB: ============= START OF LOAD BALANCING ============== 14455.6 LDB: ============== END OF LOAD BALANCING =============== 14455.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14455.6 LDB: ============= START OF LOAD BALANCING ============== 14455.9 LDB: Largest compute 7078 load 0.033390 is 17.1% of average load 0.195422 LDB: Average compute 0.004376 is 2.2% of average load 0.195422 LDB: TIME 14455.9 LOAD: AVG 0.195422 MAX 0.214286 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.121 MB LDB: TIME 14455.9 LOAD: AVG 0.195422 MAX 0.214286 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: TIME 14455.9 LOAD: AVG 0.195422 MAX 0.214286 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: ============== END OF LOAD BALANCING =============== 14455.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14455.9 PRESSURE: 4552400 -55.606 -23.6997 117.444 -23.7 234.887 -142.807 117.444 -142.808 -221.618 GPRESSURE: 4552400 45.5916 -110.401 36.891 14.987 265.387 -70.6805 110.607 -120.67 -264.495 PRESSAVG: 4552400 -19.2801 16.2382 -33.207 16.2383 49.4999 -9.63241 -33.207 -9.6324 -3.88691 GPRESSAVG: 4552400 -19.6072 13.7438 -35.1243 17.0256 49.7537 -8.36761 -29.6764 -10.4341 -3.18566 TIMING: 4552400 CPU: 14443.8, 0.00319473/step Wall: 14443.8, 0.00319473/step, 0.397211 hours remaining, 241.707031 MB of memory in use. ENERGY: 4552400 4025.1123 20573.1225 14496.7227 232.7789 -203009.7743 2266.5700 0.0000 0.0000 52068.4869 -109346.9811 299.2383 -161415.4680 -108988.2616 299.4318 -14.1124 15.4944 760713.5383 8.7776 8.9869 PRESSURE: 4552600 345.944 51.3342 -143.069 51.3345 -123.575 -120.411 -143.07 -120.411 37.6846 GPRESSURE: 4552600 328.658 -9.46217 -100.792 -42.5938 8.04093 -248.404 -251.119 13.7696 9.3708 PRESSAVG: 4552600 -40.2424 -13.9473 -3.33421 -13.9474 12.8062 -48.2143 -3.33416 -48.2143 -10.9564 GPRESSAVG: 4552600 -40.0039 -12.1119 -1.04019 -14.1917 12.1906 -49.6708 -7.69725 -46.7395 -10.5645 TIMING: 4552600 CPU: 14444.4, 0.00313172/step Wall: 14444.4, 0.00313172/step, 0.389204 hours remaining, 241.714844 MB of memory in use. ENERGY: 4552600 4007.3972 20689.6813 14461.1772 262.7460 -203253.9275 2308.8315 0.0000 0.0000 52046.5882 -109477.5060 299.1125 -161524.0942 -109117.6785 299.7356 86.6847 115.3566 760989.1542 -12.7975 -12.7926 PRESSURE: 4552800 -347.143 193.031 115.643 193.031 -239.588 -64.7053 115.643 -64.7046 364.551 GPRESSURE: 4552800 -439.882 86.6707 40.3147 107.548 -95.5471 -157.242 130.335 -58.299 381.722 PRESSAVG: 4552800 -50.6585 -46.4536 -37.119 -46.4535 36.5254 -17.2371 -37.119 -17.2371 1.73032 GPRESSAVG: 4552800 -51.3243 -46.5447 -39.2277 -47.0764 38.2648 -15.9476 -33.8789 -18.7984 1.30518 TIMING: 4552800 CPU: 14445, 0.00312979/step Wall: 14445, 0.00312979/step, 0.388789 hours remaining, 241.714844 MB of memory in use. ENERGY: 4552800 3972.4770 20652.5066 14474.2286 249.4302 -202975.9728 2010.9610 0.0000 0.0000 52208.5018 -109407.8677 300.0430 -161616.3694 -109042.1015 299.9449 -74.0600 -51.2359 760883.9929 -4.1343 -3.9181 PRESSURE: 4553000 28.4683 199.348 -140.36 199.348 311.749 -12.7742 -140.36 -12.775 293.773 GPRESSURE: 4553000 94.3295 253.155 -233.084 151.264 322.218 -46.5041 -91.8395 -15.7126 276.968 PRESSAVG: 4553000 -75.2491 -24.3145 -29.5315 -24.3145 53.5989 11.7186 -29.5314 11.7187 16.1172 GPRESSAVG: 4553000 -74.6187 -26.5495 -29.4541 -24.0442 52.0365 11.3916 -30.5171 10.4603 17.1285 TIMING: 4553000 CPU: 14445.7, 0.00314784/step Wall: 14445.7, 0.00314784/step, 0.390857 hours remaining, 241.714844 MB of memory in use. ENERGY: 4553000 3921.7651 20735.5567 14448.9729 237.9807 -203356.1115 2598.8117 0.0000 0.0000 51766.9278 -109646.0965 297.5052 -161413.0243 -109283.4971 299.4358 211.3303 231.1717 760428.8211 -1.8443 -1.8179 PRESSURE: 4553200 19.2919 -182.135 -306.541 -182.135 215.21 46.5321 -306.54 46.5315 104.161 GPRESSURE: 4553200 116.905 -79.4755 -182.415 -6.61611 185.45 114.133 -337.79 51.8267 133.838 PRESSAVG: 4553200 -32.6558 13.9578 -45.532 13.9578 67.1296 -30.2601 -45.532 -30.2602 20.1556 GPRESSAVG: 4553200 -32.6267 16.7824 -44.313 12.982 66.5186 -30.4078 -48.8714 -30.0151 20.7343 TIMING: 4553200 CPU: 14446.3, 0.00316628/step Wall: 14446.3, 0.00316628/step, 0.392971 hours remaining, 241.714844 MB of memory in use. ENERGY: 4553200 4021.3681 20813.8077 14402.7363 227.7279 -203264.9443 2306.7499 0.0000 0.0000 51879.0764 -109613.4780 298.1498 -161492.5544 -109263.1581 299.1246 112.8874 145.3977 758563.7349 18.2098 18.2087 PRESSURE: 4553400 -252.822 -20.9642 10.2685 -20.9644 -160.591 -43.8804 10.2682 -43.8816 -131.758 GPRESSURE: 4553400 -139.757 -63.6261 74.8716 -32.5093 -189.999 -61.4269 -17.8532 -150.168 -124.413 PRESSAVG: 4553400 -60.8993 -17.0364 -20.9079 -17.0365 34.5777 -22.5004 -20.908 -22.5004 1.65769 GPRESSAVG: 4553400 -60.9411 -17.1746 -21.2405 -16.4317 35.3322 -21.7542 -20.022 -22.3756 0.470364 TIMING: 4553400 CPU: 14446.9, 0.00314621/step Wall: 14446.9, 0.00314621/step, 0.390304 hours remaining, 241.714844 MB of memory in use. ENERGY: 4553400 4045.8882 20450.7293 14518.6167 264.8760 -203184.5103 2136.8535 0.0000 0.0000 52159.6086 -109607.9380 299.7620 -161767.5466 -109243.2994 298.6919 -181.7238 -151.3896 760778.3786 -8.2213 -8.3795 PRESSURE: 4553600 156.708 24.5457 17.6602 24.5444 -173.152 -112.216 17.6591 -112.216 249.641 GPRESSURE: 4553600 183.35 25.901 -12.4138 39.6303 -90.8115 -155.996 -26.1747 -68.0918 214.435 PRESSAVG: 4553600 17.0472 6.61802 -27.4345 6.61804 29.3595 -27.4783 -27.4345 -27.4784 -2.20494 GPRESSAVG: 4553600 17.6433 4.65158 -27.3276 8.23608 28.645 -28.1045 -25.6649 -27.0241 -2.06036 TIMING: 4553600 CPU: 14447.6, 0.00314766/step Wall: 14447.6, 0.00314766/step, 0.39031 hours remaining, 241.714844 MB of memory in use. ENERGY: 4553600 3956.9028 20491.7539 14573.5793 223.5665 -203389.6221 2365.2150 0.0000 0.0000 52152.0065 -109626.5981 299.7183 -161778.6046 -109257.6689 298.8551 77.7325 102.3245 758852.5138 14.7339 14.7426 PRESSURE: 4553800 -170.789 -58.3175 24.4275 -58.3183 -89.0142 36.7958 24.4278 36.7967 159.187 GPRESSURE: 4553800 -57.5447 -95.5519 -37.1338 -1.76195 -101.733 13.6805 -10.7181 -97.181 150.028 PRESSAVG: 4553800 36.3366 -20.7002 -18.6136 -20.7001 -50.606 -17.6147 -18.6135 -17.6147 27.01 GPRESSAVG: 4553800 37.3094 -18.9675 -17.6487 -21.7632 -51.2528 -17.5995 -20.7546 -16.511 26.2309 TIMING: 4553800 CPU: 14448.2, 0.0031535/step Wall: 14448.2, 0.0031535/step, 0.390859 hours remaining, 241.714844 MB of memory in use. ENERGY: 4553800 3965.7831 20585.3670 14582.4196 243.6386 -203524.3087 2574.3448 0.0000 0.0000 52112.4776 -109460.2781 299.4911 -161572.7556 -109083.2054 299.4225 -33.5386 -3.0832 758704.1437 4.2469 4.0959 PRESSURE: 4554000 41.6972 -39.798 -62.2518 -39.7975 -123.213 98.0666 -62.2522 98.0672 174.053 GPRESSURE: 4554000 90.3763 -72.3614 -44.8774 81.2285 -35.6204 42.5294 64.5668 100.904 133.66 PRESSAVG: 4554000 19.4354 -31.3358 22.9301 -31.3358 -64.9354 9.64058 22.9301 9.64065 -41.2438 GPRESSAVG: 4554000 17.3264 -31.0683 21.0037 -31.5101 -62.2268 10.6883 24.7326 8.05719 -41.7595 TIMING: 4554000 CPU: 14448.8, 0.00314197/step Wall: 14448.8, 0.00314197/step, 0.389255 hours remaining, 241.714844 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: 4554000 4058.3934 20418.9858 14574.1323 257.2854 -203680.8262 2834.9860 0.0000 0.0000 51835.2120 -109701.8313 297.8977 -161537.0432 -109341.4802 299.3781 30.8456 62.8052 758477.3892 -28.9146 -28.8866 PRESSURE: 4554200 197.039 -89.8395 -287.443 -89.839 141.186 -125.045 -287.444 -125.044 32.0948 GPRESSURE: 4554200 248.396 21.0849 -290.434 -30.1944 110.856 -133.758 -276.801 -210.066 85.0791 PRESSAVG: 4554200 -9.9573 -9.96861 -38.1671 -9.96863 23.5294 38.0921 -38.1671 38.0922 -10.903 GPRESSAVG: 4554200 -9.22719 -10.0139 -37.3223 -8.8573 21.0163 38.776 -39.0202 37.8313 -9.67779 TIMING: 4554200 CPU: 14449.4, 0.00314129/step Wall: 14449.4, 0.00314129/step, 0.388996 hours remaining, 241.714844 MB of memory in use. ENERGY: 4554200 4004.2509 20490.5530 14502.6165 244.2804 -203332.2978 2443.1364 0.0000 0.0000 52088.2043 -109559.2562 299.3516 -161647.4605 -109200.6644 299.2334 123.4399 148.1104 759940.0903 0.8897 0.7038 PRESSURE: 4554400 -217.627 111.481 93.4699 111.48 -150.181 -100.141 93.4694 -100.141 -104.584 GPRESSURE: 4554400 -144.166 13.8046 166.071 150.518 -114.912 -152.832 92.6076 37.1004 -133.203 PRESSAVG: 4554400 10.4501 -32.5388 -57.1427 -32.5388 -31.3094 -9.6381 -57.1428 -9.63809 14.005 GPRESSAVG: 4554400 8.65716 -32.3206 -57.0677 -33.7434 -30.5409 -11.3591 -58.0967 -7.7182 14.9312 TIMING: 4554400 CPU: 14450.1, 0.00314392/step Wall: 14450.1, 0.00314392/step, 0.389148 hours remaining, 241.714844 MB of memory in use. ENERGY: 4554400 3972.0823 20457.5643 14546.9398 253.7525 -203181.7687 2324.0132 0.0000 0.0000 52073.8935 -109553.5231 299.2694 -161627.4166 -109190.9978 299.4354 -157.4639 -130.7603 761434.5893 -2.2848 -2.3175 PRESSURE: 4554600 -210.273 55.3331 -10.3133 55.3339 37.4016 17.4196 -10.3131 17.4208 -132.359 GPRESSURE: 4554600 -100.235 -41.6102 99.2993 49.2266 31.947 -76.7171 -28.3229 36.6452 -146.494 PRESSAVG: 4554600 26.1893 -30.9398 -16.3788 -30.9398 -9.65577 -26.3217 -16.3788 -26.3217 -14.5122 GPRESSAVG: 4554600 27.3004 -32.3427 -16.6593 -27.955 -10.2458 -25.0837 -16.1256 -26.4427 -15.4391 TIMING: 4554600 CPU: 14450.7, 0.0031257/step Wall: 14450.7, 0.0031257/step, 0.386719 hours remaining, 241.714844 MB of memory in use. ENERGY: 4554600 3995.8568 20563.7189 14548.8429 251.8151 -203507.9902 2309.5586 0.0000 0.0000 52475.3948 -109362.8031 301.5768 -161838.1979 -108991.0835 299.5458 -101.7435 -71.5939 759979.1864 0.6738 0.5385 PRESSURE: 4554800 191.772 435.302 -95.331 435.302 -403.936 -84.3328 -95.3315 -84.3324 -147.762 GPRESSURE: 4554800 103.069 288.384 -76.0881 327.745 -249.789 -14.0545 -81.0387 36.488 -133.218 PRESSAVG: 4554800 20.7776 25.7575 -12.7753 25.7574 21.9444 -36.5854 -12.7752 -36.5854 0.563537 GPRESSAVG: 4554800 20.7316 26.3822 -12.3938 23.8245 23.2537 -36.3498 -12.8135 -36.9968 -0.500366 TIMING: 4554800 CPU: 14451.3, 0.00313855/step Wall: 14451.3, 0.00313855/step, 0.388135 hours remaining, 241.714844 MB of memory in use. ENERGY: 4554800 4019.0951 20511.5287 14499.6470 246.1741 -203593.0365 2582.5309 0.0000 0.0000 52263.2643 -109470.7964 300.3577 -161734.0607 -109102.3560 300.0327 -119.9754 -93.3125 760121.2956 14.4285 14.4950 PRESSURE: 4555000 -72.784 5.71093 -113.373 5.71177 -256.441 137.068 -113.374 137.069 -197.292 GPRESSURE: 4555000 -48.7991 69.7066 -101.302 32.2517 -222.913 138.195 -34.7628 63.4968 -155.86 PRESSAVG: 4555000 36.7477 56.956 16.261 56.956 19.4708 -28.9434 16.261 -28.9433 -21.5437 GPRESSAVG: 4555000 36.0531 54.6015 16.4459 58.4673 18.9293 -29.7447 18.437 -28.6537 -20.829 TIMING: 4555000 CPU: 14451.9, 0.00312745/step Wall: 14451.9, 0.00312745/step, 0.386587 hours remaining, 241.714844 MB of memory in use. ENERGY: 4555000 4032.3129 20450.0883 14493.3326 275.0374 -203176.4889 2415.1953 0.0000 0.0000 52131.5158 -109379.0066 299.6005 -161510.5224 -109010.6574 299.5734 -175.5059 -142.5239 760424.2325 11.5583 11.3845 PRESSURE: 4555200 5.59645 -9.89975 28.1982 -9.90045 97.8286 37.0579 28.1981 37.0566 439.249 GPRESSURE: 4555200 42.4876 -44.0613 51.9531 -2.77039 192.778 67.3398 -32.0787 83.623 410.656 PRESSAVG: 4555200 6.99823 67.594 -19.1062 67.594 -6.3848 -47.0762 -19.1062 -47.0762 18.4577 GPRESSAVG: 4555200 6.32108 68.696 -18.6631 69.2835 -4.91129 -47.5538 -21.6281 -45.5437 18.2095 TIMING: 4555200 CPU: 14452.6, 0.00312767/step Wall: 14452.6, 0.00312767/step, 0.386441 hours remaining, 241.714844 MB of memory in use. ENERGY: 4555200 3983.9475 20533.3305 14508.1758 266.0047 -203049.1546 2103.8436 0.0000 0.0000 52523.8865 -109129.9660 301.8555 -161653.8525 -108768.4405 300.1571 180.8914 215.3070 760875.9331 6.3570 6.5397 PRESSURE: 4555400 -290.159 -30.156 47.5973 -30.1568 157.002 278.682 47.5971 278.683 212.522 GPRESSURE: 4555400 -132.242 65.2631 20.1953 -14.0086 164.12 285.449 74.0624 410.423 143.843 PRESSAVG: 4555400 79.1427 -0.933114 -7.7059 -0.933231 -43.9258 -22.5538 -7.70591 -22.5538 -17.6442 GPRESSAVG: 4555400 80.2144 -0.0618654 -9.52873 -3.8494 -44.4274 -22.5712 -6.89283 -21.5673 -18.0568 TIMING: 4555400 CPU: 14453.2, 0.00315024/step Wall: 14453.2, 0.00315024/step, 0.389055 hours remaining, 241.714844 MB of memory in use. ENERGY: 4555400 3888.2343 20485.6623 14492.8680 261.9313 -202921.8721 2240.1330 0.0000 0.0000 52321.2751 -109231.7681 300.6911 -161553.0432 -108869.6653 300.4172 26.4548 58.5737 762145.0998 5.8576 5.9101 PRESSURE: 4555600 110.839 221.835 146.992 221.835 67.3516 119.596 146.992 119.596 7.35002 GPRESSURE: 4555600 101.685 224.243 162.217 103.893 148.827 115.539 218.913 -12.7899 11.4165 PRESSAVG: 4555600 13.1742 -25.9463 -33.8535 -25.9463 -54.2697 4.58422 -33.8535 4.5842 14.4196 GPRESSAVG: 4555600 14.2234 -26.5139 -32.3841 -24.3889 -55.7043 4.63207 -33.7529 2.71752 14.7515 TIMING: 4555600 CPU: 14453.8, 0.00311968/step Wall: 14453.8, 0.00311968/step, 0.385107 hours remaining, 241.714844 MB of memory in use. ENERGY: 4555600 3881.4564 20512.0049 14578.4702 266.4485 -203400.1068 2552.7648 0.0000 0.0000 52185.8041 -109423.1578 299.9125 -161608.9620 -109059.6187 300.0971 61.8468 87.3094 760715.7877 -8.8920 -8.9098 PRESSURE: 4555800 43.022 -119.459 29.5721 -119.459 -223.305 235.559 29.5719 235.559 326.149 GPRESSURE: 4555800 70.9128 -109.111 -27.3241 -130.518 -140.489 199.383 -72.2942 62.4998 320.635 PRESSAVG: 4555800 42.0241 6.91005 -57.0188 6.91002 -34.4942 -22.763 -57.0189 -22.7631 -25.2766 GPRESSAVG: 4555800 42.1638 7.06717 -57.6937 7.05619 -34.3393 -21.9279 -57.2113 -23.0273 -25.4854 TIMING: 4555800 CPU: 14454.5, 0.00314201/step Wall: 14454.5, 0.00314201/step, 0.387689 hours remaining, 241.714844 MB of memory in use. ENERGY: 4555800 3970.7050 20502.0177 14521.7561 253.2329 -203448.3330 2611.2543 0.0000 0.0000 52027.1297 -109562.2373 299.0006 -161589.3670 -109198.8627 299.5818 48.6217 83.6861 759964.1993 -5.9156 -5.8870 PRESSURE: 4556000 -57.2468 213.486 -80.9745 213.485 -1.78968 -148.317 -80.9742 -148.317 -41.1266 GPRESSURE: 4556000 116.31 228.131 -85.0381 106.622 -85.4593 -69.6577 20.0446 -125.547 -63.3691 PRESSAVG: 4556000 -13.275 12.5338 -44.4701 12.5338 -8.72827 -0.509311 -44.4701 -0.509289 -12.033 GPRESSAVG: 4556000 -14.4395 12.1334 -43.7185 9.74944 -8.40922 -2.66895 -44.155 1.78717 -10.5479 TIMING: 4556000 CPU: 14455.1, 0.00312211/step Wall: 14455.1, 0.00312211/step, 0.38506 hours remaining, 241.714844 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: 4556000 4064.4707 20421.1353 14569.5289 241.5997 -203332.4946 2440.8107 0.0000 0.0000 52091.5182 -109503.4311 299.3707 -161594.9493 -109149.1594 299.6873 -33.3877 -10.8393 760278.7278 -11.3454 -11.1322 PRESSURE: 4556200 -314.473 174.249 74.1954 174.248 -89.3202 -73.5534 74.1956 -73.5532 286.1 GPRESSURE: 4556200 -284.321 107.008 138.319 111.53 11.9982 -37.8856 -11.3368 -142.751 231.469 PRESSAVG: 4556200 -27.1506 15.5262 -3.40332 15.5262 5.92797 -11.0023 -3.40329 -11.0023 -3.83099 GPRESSAVG: 4556200 -25.4274 15.0227 -2.15478 16.5632 5.60555 -8.69704 -3.65905 -13.9268 -5.18347 TIMING: 4556200 CPU: 14455.7, 0.00314032/step Wall: 14455.7, 0.00314032/step, 0.387132 hours remaining, 241.714844 MB of memory in use. ENERGY: 4556200 3916.7870 20496.0197 14520.4824 250.8557 -203050.7417 2250.4318 0.0000 0.0000 52023.7766 -109592.3884 298.9814 -161616.1650 -109224.4048 299.4833 -39.2311 -13.6178 762705.7288 -8.3512 -8.3351 LDB: ============= START OF LOAD BALANCING ============== 14468.2 LDB: ============== END OF LOAD BALANCING =============== 14468.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14468.2 LDB: ============= START OF LOAD BALANCING ============== 14468.5 LDB: Largest compute 7059 load 0.034803 is 17.8% of average load 0.195433 LDB: Average compute 0.004385 is 2.2% of average load 0.195433 LDB: TIME 14468.5 LOAD: AVG 0.195433 MAX 0.212534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 14468.5 LOAD: AVG 0.195433 MAX 0.212534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: TIME 14468.5 LOAD: AVG 0.195433 MAX 0.212534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.246 MB LDB: ============== END OF LOAD BALANCING =============== 14468.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14468.5 PRESSURE: 4556400 318.762 232.167 -89.8245 232.167 270.93 -102.749 -89.8248 -102.75 475.684 GPRESSURE: 4556400 381.32 195.309 20.6266 165.149 331.062 -40.0629 -70.3861 -71.2638 442.539 PRESSAVG: 4556400 1.86582 22.1147 -25.6906 22.1147 36.4044 11.3138 -25.6905 11.3139 5.36755 GPRESSAVG: 4556400 0.684514 22.5376 -26.5462 22.5241 37.6561 11.9725 -25.8005 11.3625 5.29648 TIMING: 4556400 CPU: 14456.3, 0.00320186/step Wall: 14456.3, 0.00320186/step, 0.39454 hours remaining, 242.988281 MB of memory in use. ENERGY: 4556400 3945.2745 20531.3692 14575.8313 235.7036 -203171.4676 2418.3116 0.0000 0.0000 51962.8646 -109502.1129 298.6313 -161464.9775 -109140.0018 299.4167 355.1255 384.9739 760436.7108 14.5459 14.5457 PRESSURE: 4556600 270.88 -3.77875 25.1989 -3.77931 423.14 125.147 25.1988 125.146 48.2949 GPRESSURE: 4556600 266.6 51.428 -41.0022 52.7245 443.069 49.8554 55.8562 78.0293 122.032 PRESSAVG: 4556600 -61.0781 25.616 -52.0199 25.6159 39.9613 17.9979 -52.0199 17.9979 11.7656 GPRESSAVG: 4556600 -60.3838 24.057 -50.1254 27.0754 38.7 16.3427 -51.8575 21.1419 11.9271 TIMING: 4556600 CPU: 14457, 0.00313919/step Wall: 14457, 0.00313919/step, 0.386643 hours remaining, 242.988281 MB of memory in use. ENERGY: 4556600 3984.0198 20506.8937 14451.2804 252.9731 -203601.1438 2709.5847 0.0000 0.0000 51995.2177 -109701.1744 298.8172 -161696.3920 -109337.4074 299.0256 247.4384 277.2333 759308.2249 -3.1171 -3.2522 PRESSURE: 4556800 -209.238 157.708 127.709 157.709 101.265 -21.9677 127.71 -21.9674 172.447 GPRESSURE: 4556800 -73.94 101.011 152.862 111.982 46.3141 4.98811 22.5087 -49.4257 178.534 PRESSAVG: 4556800 -80.2666 13.3556 12.3049 13.3556 88.4182 70.3774 12.3049 70.3774 12.2498 GPRESSAVG: 4556800 -79.4462 16.5344 10.7637 10.2882 87.4725 70.3329 13.2273 68.6914 12.1636 TIMING: 4556800 CPU: 14457.6, 0.00314739/step Wall: 14457.6, 0.00314739/step, 0.387479 hours remaining, 242.988281 MB of memory in use. ENERGY: 4556800 3992.6074 20321.6412 14461.7218 253.6081 -203475.9214 2479.0513 0.0000 0.0000 52237.9757 -109729.3159 300.2124 -161967.2916 -109366.3956 298.6545 21.4914 50.3028 761612.7706 6.8005 6.7300 PRESSURE: 4557000 170.99 -18.3142 11.6294 -18.3148 -21.1144 -37.1898 11.6293 -37.1894 115.73 GPRESSURE: 4557000 150.488 -24.2662 -20.6655 -23.4688 92.8048 -64.2804 69.2395 -106.725 93.5959 PRESSAVG: 4557000 5.72517 -5.80465 28.4512 -5.80468 -44.1044 -28.753 28.4512 -28.753 19.8959 GPRESSAVG: 4557000 4.31645 -6.89578 27.3003 -5.76841 -43.67 -28.2888 28.5879 -30.57 20.6935 TIMING: 4557000 CPU: 14458.2, 0.00315715/step Wall: 14458.2, 0.00315715/step, 0.388504 hours remaining, 242.988281 MB of memory in use. ENERGY: 4557000 3989.8133 20491.9236 14445.7929 249.7823 -203484.1961 2697.7404 0.0000 0.0000 51740.8001 -109868.3436 297.3551 -161609.1436 -109499.9232 298.8229 88.5352 112.2962 761737.9583 -6.1611 -6.2200 PRESSURE: 4557200 67.7858 -32.756 -251.044 -32.7565 -122.228 -35.4193 -251.043 -35.4192 -190.623 GPRESSURE: 4557200 135.392 22.2921 -211.593 -97.0306 -56.3157 -11.4433 -157.268 48.5111 -242.348 PRESSAVG: 4557200 -4.28183 -13.8355 -23.0025 -13.8355 -17.0696 20.3006 -23.0025 20.3006 28.5717 GPRESSAVG: 4557200 -4.32895 -13.6464 -21.4056 -12.1922 -16.5468 22.8066 -23.7836 21.9785 27.8662 TIMING: 4557200 CPU: 14458.9, 0.00316518/step Wall: 14458.9, 0.00316518/step, 0.389318 hours remaining, 242.988281 MB of memory in use. ENERGY: 4557200 3988.9136 20441.5274 14529.6823 251.9057 -203406.7544 2383.7676 0.0000 0.0000 51913.9057 -109897.0522 298.3499 -161810.9578 -109528.9126 298.6243 -81.6883 -54.4241 760825.8282 2.4067 2.3302 PRESSURE: 4557400 -248.87 -128.985 -92.0376 -128.984 -56.694 -66.1454 -92.0375 -66.146 336.093 GPRESSURE: 4557400 -270.735 -100.293 -31.0863 -69.6261 81.4449 -71.2064 -94.9523 -116.803 313.613 PRESSAVG: 4557400 41.3957 -58.5362 4.41028 -58.5362 -46.9756 4.0994 4.41035 4.09948 24.0612 GPRESSAVG: 4557400 42.4446 -58.8368 2.9201 -57.056 -46.661 2.28303 5.08593 5.10949 23.524 TIMING: 4557400 CPU: 14459.5, 0.00313599/step Wall: 14459.5, 0.00313599/step, 0.385552 hours remaining, 242.988281 MB of memory in use. ENERGY: 4557400 4029.7746 20476.5286 14457.4142 238.8361 -203539.4052 2662.3609 0.0000 0.0000 52104.5912 -109569.8995 299.4458 -161674.4907 -109204.6673 298.8901 10.1764 41.4409 761103.8148 6.1604 6.4359 PRESSURE: 4557600 75.2575 20.4771 -18.9513 20.4771 38.936 81.594 -18.9517 81.5938 190.959 GPRESSURE: 4557600 170.337 8.71467 44.0469 109.822 33.4478 148.994 -65.181 112.057 189.942 PRESSAVG: 4557600 -6.57525 -15.1157 42.1331 -15.1157 -3.88452 42.6989 42.1331 42.6989 1.37147 GPRESSAVG: 4557600 -7.00412 -16.5743 41.1168 -16.9228 -4.90051 42.132 43.912 40.2877 1.98117 TIMING: 4557600 CPU: 14460.1, 0.0031461/step Wall: 14460.1, 0.0031461/step, 0.38662 hours remaining, 242.988281 MB of memory in use. ENERGY: 4557600 4013.4723 20649.5917 14418.6302 231.5652 -203436.3049 2429.3208 0.0000 0.0000 52088.4835 -109605.2413 299.3532 -161693.7247 -109251.0861 299.0841 101.7174 131.2425 759596.1140 -3.0294 -3.3078 PRESSURE: 4557800 -181.97 -121.88 98.7758 -121.879 265.565 24.8474 98.7753 24.8479 99.637 GPRESSURE: 4557800 -78.3391 7.83263 68.2232 -50.7594 249.615 41.6922 102.419 10.383 108.159 PRESSAVG: 4557800 -44.1192 -2.51501 14.4966 -2.51502 13.4525 11.8062 14.4966 11.8063 -13.4926 GPRESSAVG: 4557800 -44.1336 -1.36485 14.8711 -0.411014 13.5736 11.8295 14.0648 13.8916 -13.3421 TIMING: 4557800 CPU: 14460.8, 0.00313922/step Wall: 14460.8, 0.00313922/step, 0.3856 hours remaining, 242.988281 MB of memory in use. ENERGY: 4557800 3972.8160 20399.8867 14497.2045 250.6679 -203398.3227 2465.4288 0.0000 0.0000 52465.3884 -109346.9304 301.5193 -161812.3188 -108983.2564 299.8111 61.0774 93.1451 760445.8010 -14.7197 -14.6340 PRESSURE: 4558000 -218.953 -102.651 -28.6423 -102.651 74.3365 -56.8584 -28.6429 -56.8579 -396.645 GPRESSURE: 4558000 -226.333 22.5219 2.65617 -156.234 61.109 -78.3339 47.6622 15.0891 -302.033 PRESSAVG: 4558000 33.849 -18.9153 32.1429 -18.9153 0.117306 20.43 32.1429 20.43 13.3978 GPRESSAVG: 4558000 33.2591 -16.2577 33.0001 -20.5882 0.0430584 19.8944 30.9632 20.7762 13.7899 TIMING: 4558000 CPU: 14461.4, 0.00313461/step Wall: 14461.4, 0.00313461/step, 0.38486 hours remaining, 242.988281 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: 4558000 3997.4029 20520.4893 14405.1435 263.1298 -203088.7800 2278.7611 0.0000 0.0000 52206.7852 -109417.0683 300.0331 -161623.8535 -109049.6102 299.6417 -180.4203 -155.7525 761347.5860 15.7881 15.6974 PRESSURE: 4558200 -187.79 -201.639 14.3733 -201.639 122.212 -5.65553 14.3733 -5.65439 -360.719 GPRESSURE: 4558200 -135.85 -97.7692 91.4568 -106.538 140.83 -9.82387 84.8974 91.3987 -355.326 PRESSAVG: 4558200 -66.0078 -11.2636 49.6927 -11.2636 63.4061 11.4084 49.6927 11.4084 7.18761 GPRESSAVG: 4558200 -66.3602 -11.5965 47.7569 -11.1696 63.3512 12.1845 51.7387 11.0459 6.72666 TIMING: 4558200 CPU: 14462, 0.00311486/step Wall: 14462, 0.00311486/step, 0.382263 hours remaining, 242.988281 MB of memory in use. ENERGY: 4558200 4050.9272 20669.3968 14495.0802 251.4454 -203410.3955 2421.0913 0.0000 0.0000 52251.1472 -109271.3074 300.2881 -161522.4546 -108910.8728 300.1948 -142.0990 -116.7822 760763.6951 1.5287 1.2392 PRESSURE: 4558400 -33.6284 -37.0733 -89.4215 -37.0741 204.917 52.0378 -89.4211 52.0379 -418.608 GPRESSURE: 4558400 -23.435 -3.41497 72.5438 24.9052 235.122 -6.2987 21.2735 -40.4354 -384.303 PRESSAVG: 4558400 -51.2244 5.87278 -14.1085 5.87271 72.217 69.9442 -14.1084 69.9442 16.9883 GPRESSAVG: 4558400 -51.1966 4.00883 -12.2026 6.89928 73.1636 71.1222 -14.4102 68.2562 16.3247 TIMING: 4558400 CPU: 14462.6, 0.00312319/step Wall: 14462.6, 0.00312319/step, 0.383111 hours remaining, 242.988281 MB of memory in use. ENERGY: 4558400 4007.3309 20453.4373 14451.7177 254.9716 -203519.1104 2711.5829 0.0000 0.0000 52207.3815 -109432.6885 300.0365 -161640.0700 -109062.2973 300.2698 -82.4398 -57.5389 759902.6439 12.6603 12.7639 PRESSURE: 4558600 -215.256 -51.2654 313.762 -51.2662 -132.43 152.913 313.761 152.912 -289.992 GPRESSURE: 4558600 -88.8575 8.71227 234.462 -77.8156 -157.494 192.149 43.4647 164.077 -324.252 PRESSAVG: 4558600 -23.2461 31.6814 -5.042 31.6814 50.959 78.9106 -5.0421 78.9106 6.99078 GPRESSAVG: 4558600 -22.5166 31.5433 -5.72069 31.2908 50.3636 78.6012 -6.84013 78.4631 7.82429 TIMING: 4558600 CPU: 14463.3, 0.0031481/step Wall: 14463.3, 0.0031481/step, 0.385993 hours remaining, 242.988281 MB of memory in use. ENERGY: 4558600 4003.0133 20552.9440 14545.4811 226.9835 -202981.2184 2154.4241 0.0000 0.0000 51908.9142 -109589.4582 298.3212 -161498.3724 -109221.4302 299.5871 -212.5593 -190.2011 759286.1646 11.5679 11.8904 PRESSURE: 4558800 -125.813 68.2989 -108.213 68.2999 -272.915 -57.3618 -108.214 -57.3612 -476.756 GPRESSURE: 4558800 -61.4228 36.2429 -80.7583 185.651 -312.64 -111.952 -21.0415 -10.6755 -417.325 PRESSAVG: 4558800 17.9289 18.2968 -21.3752 18.2968 -25.8759 70.4658 -21.3752 70.4657 18.0474 GPRESSAVG: 4558800 18.7661 18.4002 -21.9136 18.7288 -26.2714 69.9149 -19.9998 71.9383 17.2456 TIMING: 4558800 CPU: 14463.9, 0.00311714/step Wall: 14463.9, 0.00311714/step, 0.382023 hours remaining, 242.988281 MB of memory in use. ENERGY: 4558800 4032.5754 20685.8441 14433.7719 259.5787 -203190.2722 2190.0478 0.0000 0.0000 51921.2510 -109667.2033 298.3921 -161588.4543 -109306.9121 299.2583 -291.8281 -263.7961 761577.6752 3.3668 3.2467 PRESSURE: 4559000 -91.5933 108.464 177.531 108.464 10.0981 -81.7382 177.532 -81.7369 -55.7436 GPRESSURE: 4559000 -91.5333 110.381 192.863 177.847 109.428 -131.14 116.474 148.006 -75.8943 PRESSAVG: 4559000 -21.0762 26.1578 -24.89 26.1578 42.7022 37.6227 -24.89 37.6226 24.1171 GPRESSAVG: 4559000 -22.6107 26.9184 -24.4821 25.1165 44.4218 38.5607 -24.3755 38.3888 23.8117 TIMING: 4559000 CPU: 14464.5, 0.00310912/step Wall: 14464.5, 0.00310912/step, 0.380867 hours remaining, 242.988281 MB of memory in use. ENERGY: 4559000 3947.3671 20359.3324 14510.0474 251.1470 -203278.5906 2490.9780 0.0000 0.0000 52212.8098 -109506.9090 300.0677 -161719.7188 -109143.9522 299.3557 -45.7463 -19.3333 760985.3604 15.2477 15.2076 PRESSURE: 4559200 303.638 6.62409 207.913 6.62352 -166.278 90.5871 207.914 90.5867 -252.199 GPRESSURE: 4559200 289.409 74.6182 113.69 -76.9826 -93.8486 -16.8694 128.565 50.1001 -225.378 PRESSAVG: 4559200 -41.2394 84.751 45.6924 84.751 59.2313 11.0896 45.6924 11.0895 10.5479 GPRESSAVG: 4559200 -41.5362 84.2477 44.8533 86.1174 57.8623 8.6716 45.4033 9.61761 11.8622 TIMING: 4559200 CPU: 14465.1, 0.00311294/step Wall: 14465.1, 0.00311294/step, 0.381162 hours remaining, 242.988281 MB of memory in use. ENERGY: 4559200 4077.5849 20473.5658 14473.4048 246.9597 -203309.0586 2699.5216 0.0000 0.0000 51908.6860 -109429.3358 298.3199 -161338.0218 -109078.3048 299.6228 -38.2797 -9.9393 762216.5971 9.5133 9.3961 PRESSURE: 4559400 -152.417 195.594 332.615 195.595 -402.157 -7.26159 332.615 -7.26163 -197.947 GPRESSURE: 4559400 -121.028 212.416 271.236 147.575 -290.288 10.1315 381.416 11.4908 -251.301 PRESSAVG: 4559400 -39.8828 -11.0411 13.7333 -11.041 56.9201 -22.0177 13.7333 -22.0178 8.76211 GPRESSAVG: 4559400 -39.4617 -11.7405 14.5842 -8.76864 58.0492 -20.0532 13.7762 -21.5362 8.04882 TIMING: 4559400 CPU: 14465.8, 0.0031112/step Wall: 14465.8, 0.0031112/step, 0.380777 hours remaining, 242.988281 MB of memory in use. ENERGY: 4559400 3995.4590 20449.2805 14480.0308 264.8526 -203798.5677 2727.9203 0.0000 0.0000 52415.0828 -109465.9415 301.2302 -161881.0244 -109099.7423 300.2308 -250.8403 -220.8724 763919.0460 8.5998 8.8788 PRESSURE: 4559600 128.229 -224.688 91.4813 -224.688 -231.933 65.6958 91.4808 65.6953 145.816 GPRESSURE: 4559600 77.7929 -318.663 153.193 -231.34 -164.888 30.5949 52.6168 -30.0472 202.17 PRESSAVG: 4559600 24.3149 -5.46771 51.0299 -5.46769 26.3143 -39.8203 51.0299 -39.8203 -24.1002 GPRESSAVG: 4559600 24.4478 -5.28584 50.3479 -7.44124 26.4296 -41.3595 51.2033 -39.2697 -24.3399 TIMING: 4559600 CPU: 14466.4, 0.00311691/step Wall: 14466.4, 0.00311691/step, 0.381302 hours remaining, 242.988281 MB of memory in use. ENERGY: 4559600 3963.8120 20536.5250 14478.1112 253.4680 -203328.0920 2522.1410 0.0000 0.0000 52054.1476 -109519.8872 299.1559 -161574.0348 -109152.5753 299.6332 14.0374 38.3582 761595.9878 8.8430 8.8459 PRESSURE: 4559800 -218.806 -67.7178 -234.038 -67.7178 -155.973 190.491 -234.037 190.49 -109.621 GPRESSURE: 4559800 -176.319 -102.517 -232.38 -203.976 -147.084 190.947 -212.354 117.117 -88.5066 PRESSAVG: 4559800 -27.1164 -63.1203 33.1504 -63.1203 4.85975 14.3553 33.1503 14.3554 15.8598 GPRESSAVG: 4559800 -25.8918 -61.7212 34.819 -64.3365 3.55577 15.5036 32.8943 11.881 15.9837 TIMING: 4559800 CPU: 14467, 0.0031134/step Wall: 14467, 0.0031134/step, 0.3807 hours remaining, 242.988281 MB of memory in use. ENERGY: 4559800 4042.6434 20723.7050 14492.0102 243.4606 -203381.1193 2344.1917 0.0000 0.0000 52085.7704 -109449.3379 299.3376 -161535.1083 -109091.3808 299.2967 -161.4667 -137.3031 759844.7292 -2.1323 -2.1175 PRESSURE: 4560000 368.639 54.8578 202.224 54.8577 245.106 43.2256 202.224 43.2257 -168.28 GPRESSURE: 4560000 333.16 116.319 184.217 -21.651 345.429 35.0034 169.84 45.9503 -136.516 PRESSAVG: 4560000 4.48181 -74.1962 -48.3329 -74.1962 -45.027 53.3853 -48.3329 53.3852 -0.441984 GPRESSAVG: 4560000 3.96376 -76.0917 -48.5229 -73.3673 -44.5998 53.3108 -48.617 54.8041 -0.251817 TIMING: 4560000 CPU: 14467.6, 0.00311641/step Wall: 14467.6, 0.00311641/step, 0.380894 hours remaining, 242.988281 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: 4560000 4079.9305 20515.3395 14461.4399 258.6695 -203335.8309 2508.9254 0.0000 0.0000 52008.6514 -109502.8747 298.8944 -161511.5261 -109154.6712 299.4454 148.4885 180.6908 759536.5186 -13.6624 -13.6293 PRESSURE: 4560200 168.316 14.5107 -178.411 14.5115 300.468 96.4505 -178.41 96.4504 -170.517 GPRESSURE: 4560200 268.564 -117.915 -116.911 39.2426 307.263 36.6552 -7.22049 167.786 -195.828 PRESSAVG: 4560200 -8.17635 -49.407 -27.2134 -49.4069 60.514 41.9743 -27.2134 41.9742 1.00685 GPRESSAVG: 4560200 -7.86371 -49.2798 -29.1162 -48.8739 60.7451 40.6086 -28.1305 39.4376 1.08274 TIMING: 4560200 CPU: 14468.2, 0.00313085/step Wall: 14468.2, 0.00313085/step, 0.382485 hours remaining, 242.988281 MB of memory in use. ENERGY: 4560200 3995.8814 20673.4303 14490.5671 240.6850 -203330.6786 2601.0658 0.0000 0.0000 51941.8214 -109387.2277 298.5104 -161329.0491 -109018.9238 299.3285 99.4226 126.6666 759668.7247 17.7815 17.9880 LDB: ============= START OF LOAD BALANCING ============== 14480.7 LDB: ============== END OF LOAD BALANCING =============== 14480.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14480.7 LDB: ============= START OF LOAD BALANCING ============== 14481 LDB: Largest compute 7077 load 0.035339 is 18.1% of average load 0.195637 LDB: Average compute 0.004368 is 2.2% of average load 0.195637 LDB: TIME 14481 LOAD: AVG 0.195637 MAX 0.211883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.473 MB LDB: TIME 14481 LOAD: AVG 0.195637 MAX 0.211883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 14481 LOAD: AVG 0.195637 MAX 0.211883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 14481 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14481 PRESSURE: 4560400 24.075 -119.219 -204.381 -119.218 242.616 84.4501 -204.381 84.4494 59.3879 GPRESSURE: 4560400 102.411 -93.3816 -98.2648 -97.3778 246.314 16.7247 -198.001 223.989 38.2336 PRESSAVG: 4560400 10.0366 -39.1983 -25.7019 -39.1984 9.98721 27.3436 -25.7019 27.3436 4.2816 GPRESSAVG: 4560400 9.82481 -38.127 -24.1138 -40.7227 11.278 27.8295 -23.5368 32.4018 3.3454 TIMING: 4560400 CPU: 14468.9, 0.00319302/step Wall: 14468.9, 0.00319302/step, 0.389904 hours remaining, 239.632812 MB of memory in use. ENERGY: 4560400 3997.3939 20597.8602 14541.2744 260.7738 -203587.5672 2657.7414 0.0000 0.0000 52037.0841 -109495.4394 299.0578 -161532.5234 -109126.0171 299.7751 108.6930 128.9861 758870.3083 8.1018 8.1494 PRESSURE: 4560600 -16.9925 -22.6014 37.0247 -22.6014 -301.824 -167.718 37.0244 -167.718 -278.518 GPRESSURE: 4560600 56.3591 -84.5339 41.0495 -2.88974 -313.174 -195.437 38.3823 -199.19 -252.092 PRESSAVG: 4560600 6.1707 -39.9538 -62.1593 -39.9539 17.8155 -22.6939 -62.1593 -22.6939 22.409 GPRESSAVG: 4560600 5.9186 -40.2123 -62.4622 -38.8304 16.4858 -22.2466 -62.408 -26.3828 24.1344 TIMING: 4560600 CPU: 14469.5, 0.00315271/step Wall: 14469.5, 0.00315271/step, 0.384806 hours remaining, 239.632812 MB of memory in use. ENERGY: 4560600 3980.8928 20433.6040 14469.2561 262.1045 -203409.6092 2462.0554 0.0000 0.0000 52259.8886 -109541.8079 300.3383 -161801.6965 -109164.1603 300.1576 -199.1118 -169.6357 761224.7268 15.4651 15.5129 PRESSURE: 4560800 -440.071 165.782 -15.0897 165.781 -94.4772 219.92 -15.0891 219.921 37.0582 GPRESSURE: 4560800 -350.044 201.15 -40.8993 196.358 -60.156 208.22 -59.3922 240.251 -0.743615 PRESSAVG: 4560800 -27.5411 -15.5212 5.80385 -15.5212 28.6534 32.2894 5.80387 32.2894 17.2083 GPRESSAVG: 4560800 -26.7423 -15.5343 4.60334 -14.2317 29.3361 31.8074 5.29032 33.4196 15.882 TIMING: 4560800 CPU: 14470.1, 0.00314423/step Wall: 14470.1, 0.00314423/step, 0.383596 hours remaining, 239.632812 MB of memory in use. ENERGY: 4560800 3986.7086 20467.2444 14593.4163 249.1645 -203853.9780 2694.8597 0.0000 0.0000 52142.6744 -109719.9101 299.6647 -161862.5844 -109357.8927 299.6029 -165.8302 -136.9812 760420.1342 6.1069 6.1586 PRESSURE: 4561000 287.438 -126.758 42.1629 -126.758 455.481 58.7457 42.1632 58.7455 165.419 GPRESSURE: 4561000 383.763 -136.028 7.49336 -230.532 481.462 24.8633 -103.885 101.24 130.575 PRESSAVG: 4561000 2.36652 -20.5207 -27.5658 -20.5207 12.031 30.8389 -27.5659 30.8388 -11.0176 GPRESSAVG: 4561000 3.3744 -21.2358 -28.9308 -22.1766 10.1607 30.6533 -28.1292 31.5082 -10.3619 TIMING: 4561000 CPU: 14470.8, 0.00315069/step Wall: 14470.8, 0.00315069/step, 0.384209 hours remaining, 239.632812 MB of memory in use. ENERGY: 4561000 3907.8345 20484.6509 14525.3200 242.4047 -203799.0683 2840.3193 0.0000 0.0000 51846.7162 -109951.8228 297.9638 -161798.5390 -109601.1569 298.9962 302.7792 331.9332 760346.2124 1.1266 1.0577 PRESSURE: 4561200 216.541 -259.139 -257.191 -259.14 -322.949 -50.0294 -257.191 -50.0274 29.9819 GPRESSURE: 4561200 144.541 -215.722 -161.814 -84.8041 -148.026 -54.362 -311.388 19.0204 2.50635 PRESSAVG: 4561200 7.38672 -53.2067 -26.1549 -53.2067 -28.9176 -3.6769 -26.1549 -3.67684 -2.029 GPRESSAVG: 4561200 5.89414 -53.0221 -24.058 -51.6941 -27.5514 -3.60688 -26.8558 -5.26637 -1.78237 TIMING: 4561200 CPU: 14471.4, 0.00313683/step Wall: 14471.4, 0.00313683/step, 0.382345 hours remaining, 239.632812 MB of memory in use. ENERGY: 4561200 4011.7981 20354.1042 14546.1817 228.1195 -203723.3095 2615.5284 0.0000 0.0000 52075.6767 -109891.9009 299.2796 -161967.5776 -109523.8611 298.1559 -25.4755 -0.3260 760778.3373 -7.8533 -7.8132 PRESSURE: 4561400 -125.077 109.205 -175.144 109.206 -5.82822 138.169 -175.144 138.169 -87.8838 GPRESSURE: 4561400 -115.682 61.1237 -146.088 -17.6483 38.7506 99.457 -81.6171 129.615 -73.2443 PRESSAVG: 4561400 -45.7603 -0.359174 -3.85708 -0.359165 2.36563 26.6516 -3.85701 26.6516 -2.30916 GPRESSAVG: 4561400 -45.4779 -1.55752 -4.4724 -1.81011 3.05541 27.28 -3.5549 26.4305 -3.27685 TIMING: 4561400 CPU: 14472, 0.00315444/step Wall: 14472, 0.00315445/step, 0.384317 hours remaining, 239.632812 MB of memory in use. ENERGY: 4561400 4007.6004 20332.0934 14407.4129 226.2682 -203600.8152 2593.9433 0.0000 0.0000 51908.0094 -110125.4877 298.3160 -162033.4970 -109769.8202 297.9477 -72.9298 -50.0586 760758.0491 -15.2346 -15.2331 PRESSURE: 4561600 -200.268 -37.3549 -94.7466 -37.3544 70.4009 -3.4156 -94.7475 -3.41525 -116.397 GPRESSURE: 4561600 -138.999 -69.2345 -126.855 -8.15204 73.4139 -47.1729 -24.0148 -4.83226 -95.8119 PRESSAVG: 4561600 -14.6059 -0.474489 -29.606 -0.474448 16.4377 27.0654 -29.6061 27.0654 17.0123 GPRESSAVG: 4561600 -14.2638 1.08698 -28.6333 -1.59078 16.0534 28.774 -30.0883 27.826 17.4816 TIMING: 4561600 CPU: 14472.7, 0.00313211/step Wall: 14472.7, 0.00313211/step, 0.381421 hours remaining, 239.632812 MB of memory in use. ENERGY: 4561600 3976.8379 20444.3194 14473.1166 216.7686 -203437.9212 2552.3380 0.0000 0.0000 51876.1952 -109898.3454 298.1332 -161774.5407 -109545.0530 298.0284 -82.0881 -53.7989 761896.3758 6.2814 6.4237 PRESSURE: 4561800 -30.3273 -309.366 131.03 -309.364 -78.7807 103.109 131.03 103.11 -101.488 GPRESSURE: 4561800 -48.2231 -294.051 133.782 -219.62 31.4005 104.47 217.189 74.5871 -90.9683 PRESSAVG: 4561800 59.2019 -5.57883 22.6993 -5.57883 11.454 -4.15943 22.6993 -4.1595 -1.63934 GPRESSAVG: 4561800 58.2479 -6.35611 21.6882 -2.87888 13.0912 -5.79307 23.3062 -3.27167 -1.971 TIMING: 4561800 CPU: 14473.3, 0.00312016/step Wall: 14473.3, 0.00312016/step, 0.379793 hours remaining, 239.632812 MB of memory in use. ENERGY: 4561800 4098.3751 20448.5205 14443.9444 246.6751 -203276.3606 2464.1874 0.0000 0.0000 51683.3586 -109891.2995 297.0250 -161574.6581 -109546.5060 298.2204 -70.1986 -35.9303 761928.5947 23.0055 23.1227 PRESSURE: 4562000 -226.039 19.908 80.3298 19.9085 -136.803 -209.272 80.3298 -209.273 -165.252 GPRESSURE: 4562000 -112.37 68.8142 46.5463 -56.9023 -164.852 -196.982 -30.0859 -150.803 -153.164 PRESSAVG: 4562000 39.118 -25.4179 18.0121 -25.4179 -28.8112 25.0139 18.0121 25.014 4.99466 GPRESSAVG: 4562000 40.8039 -26.5669 19.6552 -26.2097 -30.7974 23.7419 16.8416 24.3097 5.63281 TIMING: 4562000 CPU: 14473.9, 0.00311106/step Wall: 14473.9, 0.00311106/step, 0.378513 hours remaining, 239.632812 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: 4562000 4007.4113 20485.0598 14508.3698 240.2757 -203740.0089 2611.0527 0.0000 0.0000 51919.2104 -109968.6292 298.3804 -161887.8396 -109611.9810 298.3608 -176.0317 -143.4620 759428.1018 5.1005 5.2131 PRESSURE: 4562200 19.4716 231.113 -131.223 231.114 3.11442 -100.599 -131.223 -100.6 235.413 GPRESSURE: 4562200 70.7898 242.003 -180.704 211.958 -32.7798 -51.4114 -43.713 -97.1454 311.46 PRESSAVG: 4562200 0.29549 -37.4212 15.9466 -37.4212 20.0916 -30.0793 15.9466 -30.0793 -0.508158 GPRESSAVG: 4562200 0.907574 -33.4965 15.2601 -39.5717 19.9524 -28.8044 14.9793 -28.0292 -0.955608 TIMING: 4562200 CPU: 14474.5, 0.00313315/step Wall: 14474.5, 0.00313315/step, 0.381026 hours remaining, 239.632812 MB of memory in use. ENERGY: 4562200 3936.4498 20326.6575 14498.7820 238.8134 -203885.1419 2484.6577 0.0000 0.0000 52212.7040 -110187.0775 300.0671 -162399.7815 -109809.9709 298.0136 85.9998 116.4901 760364.3032 6.6263 6.6348 PRESSURE: 4562400 17.9864 -46.7658 -161.439 -46.7654 147.381 -55.9346 -161.439 -55.935 309.517 GPRESSURE: 4562400 52.5489 0.575518 -163.053 -29.4003 225.42 -73.2817 -117.927 -114.438 295.782 PRESSAVG: 4562400 44.7689 54.8539 -28.066 54.8539 -37.5712 -37.1355 -28.066 -37.1355 -1.43888 GPRESSAVG: 4562400 43.3401 52.0731 -28.1479 56.1536 -36.4382 -38.0648 -27.9896 -37.8262 -1.09992 TIMING: 4562400 CPU: 14475.2, 0.00314045/step Wall: 14475.2, 0.00314045/step, 0.381739 hours remaining, 239.632812 MB of memory in use. ENERGY: 4562400 4032.5879 20428.6765 14433.3490 256.8797 -203717.8022 2778.5879 0.0000 0.0000 51807.3080 -109980.4132 297.7373 -161787.7212 -109626.5723 297.9927 158.2948 191.2501 762411.5899 1.9196 1.9340 PRESSURE: 4562600 231.47 -62.5615 -30.5981 -62.5622 255.156 -173.209 -30.5981 -173.208 123.093 GPRESSURE: 4562600 292.31 32.0507 -46.9188 -113.594 275.527 -118.581 33.5991 -25.6127 116.835 PRESSAVG: 4562600 37.4813 56.2233 -26.1768 56.2233 -19.0304 0.372455 -26.1769 0.372567 14.1302 GPRESSAVG: 4562600 36.6955 55.2221 -25.5352 56.471 -18.6229 0.372907 -25.5483 0.94379 13.7693 TIMING: 4562600 CPU: 14475.8, 0.00312943/step Wall: 14475.8, 0.00312943/step, 0.380225 hours remaining, 239.632812 MB of memory in use. ENERGY: 4562600 3911.8679 20410.8410 14516.4767 269.0520 -203320.6108 2543.5578 0.0000 0.0000 51630.8211 -110037.9943 296.7230 -161668.8154 -109675.6487 297.6097 203.2398 228.2240 759964.2336 10.8603 10.6140 PRESSURE: 4562800 30.3538 -144.759 -330.271 -144.758 -79.4727 -208.77 -330.272 -208.771 -13.8305 GPRESSURE: 4562800 39.0518 -169.087 -270.041 -18.1736 -49.4492 -162.216 -313.611 -136.48 44.2107 PRESSAVG: 4562800 -11.6933 9.81248 24.942 9.81251 -0.951333 -6.36194 24.942 -6.36193 -16.1194 GPRESSAVG: 4562800 -10.3869 11.8331 25.3478 8.48778 -2.61869 -6.08869 26.1515 -8.41279 -15.4764 TIMING: 4562800 CPU: 14476.4, 0.00311399/step Wall: 14476.4, 0.00311399/step, 0.378176 hours remaining, 239.632812 MB of memory in use. ENERGY: 4562800 3975.8402 20421.7682 14430.5550 255.2585 -203071.9710 2313.3987 0.0000 0.0000 51899.5932 -109775.5571 298.2677 -161675.1503 -109414.9678 297.7099 -20.9831 11.2711 762413.8469 -9.5880 -9.4940 PRESSURE: 4563000 395.28 77.7989 150.685 77.7995 463.532 -222.394 150.685 -222.394 83.6454 GPRESSURE: 4563000 395.952 144.765 163.381 -4.0493 473.131 -202.744 66.9549 -231.471 139.687 PRESSAVG: 4563000 13.456 -28.184 -47.3712 -28.1839 -58.8906 -30.9338 -47.3714 -30.9339 17.8901 GPRESSAVG: 4563000 14.2001 -29.51 -47.6994 -28.8556 -58.5939 -30.7013 -47.272 -30.798 16.8315 TIMING: 4563000 CPU: 14477, 0.00314241/step Wall: 14477, 0.00314241/step, 0.381454 hours remaining, 239.632812 MB of memory in use. ENERGY: 4563000 3934.9115 20498.7345 14440.9343 227.4215 -203335.7851 2732.7236 0.0000 0.0000 51973.2997 -109527.7599 298.6913 -161501.0597 -109154.7902 298.7261 314.1522 336.2567 762467.0946 -9.1815 -9.1874 PRESSURE: 4563200 -47.5964 214.006 106.183 214.007 -83.645 -86.4729 106.183 -86.4736 65.5611 GPRESSURE: 4563200 -39.4708 64.5162 146.538 136.073 -73.5325 -95.8068 77.9613 -22.6098 139.095 PRESSAVG: 4563200 0.939868 -14.9311 -15.5893 -14.9312 7.47525 33.1515 -15.5893 33.1515 12.7204 GPRESSAVG: 4563200 -0.508218 -12.8496 -16.3954 -13.2948 8.36751 33.8064 -16.9551 33.6588 13.0353 TIMING: 4563200 CPU: 14477.7, 0.00314264/step Wall: 14477.7, 0.00314264/step, 0.381307 hours remaining, 239.632812 MB of memory in use. ENERGY: 4563200 3977.4031 20453.0947 14368.6928 255.8141 -203330.1045 2436.6580 0.0000 0.0000 52251.3046 -109587.1371 300.2890 -161838.4417 -109215.1291 299.0789 -21.8934 8.6973 761364.1520 7.0452 6.9649 PRESSURE: 4563400 -306.762 -35.5138 111.28 -35.5135 81.0903 81.2709 111.28 81.2711 81.6752 GPRESSURE: 4563400 -249.481 -75.4342 109.693 -97.5135 107.9 43.6734 11.213 95.7413 66.3887 PRESSAVG: 4563400 -38.5823 -35.6727 14.9051 -35.6727 31.1162 2.00075 14.9052 2.00075 -19.2619 GPRESSAVG: 4563400 -38.2734 -35.9992 16.9575 -35.9358 30.6859 1.98243 14.4471 2.30125 -19.1341 TIMING: 4563400 CPU: 14478.3, 0.0031337/step Wall: 14478.3, 0.0031337/step, 0.380049 hours remaining, 239.632812 MB of memory in use. ENERGY: 4563400 4026.9555 20704.2643 14480.0650 261.9890 -203356.6226 2481.3135 0.0000 0.0000 52012.8226 -109389.2127 298.9184 -161402.0353 -109031.0579 299.0368 -47.9987 -25.0642 760947.3375 -8.9093 -8.9072 PRESSURE: 4563600 294.184 224.427 71.5657 224.428 259.514 -91.629 71.5651 -91.6286 375.586 GPRESSURE: 4563600 334.139 28.1682 92.968 214.074 326.233 -148.594 101.053 48.2501 370.681 PRESSAVG: 4563600 -9.90678 -29.0722 41.3952 -29.0722 64.0072 26.6351 41.3952 26.6351 -4.57886 GPRESSAVG: 4563600 -10.0957 -31.9579 42.9702 -29.1636 64.1699 26.3434 41.2996 25.5323 -4.77216 TIMING: 4563600 CPU: 14478.9, 0.00313138/step Wall: 14478.9, 0.00313138/step, 0.379593 hours remaining, 239.632812 MB of memory in use. ENERGY: 4563600 4031.3539 20403.3424 14499.0461 240.9845 -203498.1626 2683.4179 0.0000 0.0000 52282.7174 -109357.3004 300.4695 -161640.0178 -109002.2327 299.7375 309.7613 343.6844 759630.6960 16.5072 16.4340 PRESSURE: 4563800 188.385 192.04 210.656 192.04 216.02 -100.796 210.655 -100.796 127.251 GPRESSURE: 4563800 257.424 116.914 200.014 180.184 173.141 -92.8575 205.934 -150.432 206.914 PRESSAVG: 4563800 9.79953 -24.4629 3.76174 -24.4629 -26.9075 -22.5561 3.76169 -22.5562 12.8069 GPRESSAVG: 4563800 9.68544 -22.9319 1.11587 -26.2555 -27.1481 -21.5988 4.94059 -21.8791 13.8714 TIMING: 4563800 CPU: 14479.5, 0.00312709/step Wall: 14479.5, 0.00312709/step, 0.3789 hours remaining, 239.632812 MB of memory in use. ENERGY: 4563800 3969.9346 20481.1351 14510.8093 242.2312 -203642.2880 2704.2156 0.0000 0.0000 52260.8668 -109473.0954 300.3439 -161733.9622 -109107.6964 299.7637 177.2187 212.4931 759993.7790 -1.4337 -1.1971 PRESSURE: 4564000 -38.3916 -16.4999 -94.2806 -16.5003 75.2155 -42.6542 -94.2811 -42.6548 164.895 GPRESSURE: 4564000 26.1037 -83.0505 -59.2944 -40.328 131.683 -31.8616 -53.9167 4.14928 110.608 PRESSAVG: 4564000 -20.1589 -12.5525 -28.4512 -12.5526 48.4622 9.12366 -28.4512 9.12361 18.0885 GPRESSAVG: 4564000 -18.3701 -13.0992 -30.592 -11.4013 48.9725 8.47543 -26.353 8.97464 15.5593 TIMING: 4564000 CPU: 14480.2, 0.00315885/step Wall: 14480.2, 0.00315885/step, 0.382572 hours remaining, 239.632812 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: 4564000 4019.0185 20641.6463 14457.7485 251.1098 -203731.1505 2709.5603 0.0000 0.0000 52206.9747 -109445.0922 300.0342 -161652.0669 -109089.6073 300.1267 67.2398 89.4651 760525.1283 15.4639 15.3872 PRESSURE: 4564200 35.6722 -2.92184 35.0926 -2.9221 -15.9576 -6.70539 35.0917 -6.7048 -151.936 GPRESSURE: 4564200 72.2572 -31.7819 26.4903 6.47277 20.3535 -37.8907 -13.9425 -115.188 -138.644 PRESSAVG: 4564200 -33.481 51.3711 -22.5456 51.3711 14.3339 41.4431 -22.5455 41.443 16.5555 GPRESSAVG: 4564200 -33.938 50.2629 -20.7568 53.1186 13.9419 41.207 -24.7042 40.8071 17.354 TIMING: 4564200 CPU: 14480.8, 0.00314221/step Wall: 14480.8, 0.00314221/step, 0.380382 hours remaining, 239.632812 MB of memory in use. ENERGY: 4564200 3944.8785 20669.3962 14454.5281 250.6604 -202609.7631 1995.4236 0.0000 0.0000 51942.5191 -109352.3572 298.5144 -161294.8764 -108996.2405 300.1875 -44.0739 -15.3443 761352.9665 -0.8639 -0.8807 LDB: ============= START OF LOAD BALANCING ============== 14493.3 LDB: ============== END OF LOAD BALANCING =============== 14493.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14493.3 LDB: ============= START OF LOAD BALANCING ============== 14493.6 LDB: Largest compute 7035 load 0.032722 is 16.7% of average load 0.195544 LDB: Average compute 0.004371 is 2.2% of average load 0.195544 LDB: TIME 14493.6 LOAD: AVG 0.195544 MAX 0.21386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.434 MB LDB: TIME 14493.6 LOAD: AVG 0.195544 MAX 0.21386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: TIME 14493.6 LOAD: AVG 0.195544 MAX 0.21386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: ============== END OF LOAD BALANCING =============== 14493.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14493.6 PRESSURE: 4564400 92.8878 112.925 -64.1683 112.924 -181.276 -33.4447 -64.1687 -33.4459 113.882 GPRESSURE: 4564400 93.3192 41.1 12.8616 116.538 -93.9435 -78.2737 -96.7378 -66.3499 129.39 PRESSAVG: 4564400 -0.35346 -30.8664 -22.0176 -30.8663 35.1937 -17.4639 -22.0177 -17.464 12.8277 GPRESSAVG: 4564400 -1.43499 -27.7349 -23.2099 -33.8835 36.0152 -18.2897 -20.1255 -17.4283 13.1733 TIMING: 4564400 CPU: 14481.4, 0.00318289/step Wall: 14481.4, 0.00318289/step, 0.385129 hours remaining, 240.917969 MB of memory in use. ENERGY: 4564400 4045.2219 20549.5214 14440.8565 231.8769 -203424.5467 2513.9018 0.0000 0.0000 52279.9185 -109363.2498 300.4534 -161643.1683 -109005.8927 299.8087 8.4979 42.9219 758781.0921 15.8893 15.9179 PRESSURE: 4564600 -337.244 -189.701 43.3851 -189.7 -55.0057 108.17 43.3852 108.17 -359.255 GPRESSURE: 4564600 -237.244 -93.9075 28.4855 -79.8118 -136.7 81.9336 137.689 188.271 -293.365 PRESSAVG: 4564600 -31.1739 -45.1929 6.86238 -45.1929 5.32114 -35.8126 6.86237 -35.8126 14.1915 GPRESSAVG: 4564600 -31.3792 -48.6351 7.91828 -43.7618 5.46586 -34.8844 4.47442 -36.0958 13.9247 TIMING: 4564600 CPU: 14482.1, 0.0031405/step Wall: 14482.1, 0.0031405/step, 0.379826 hours remaining, 240.917969 MB of memory in use. ENERGY: 4564600 3894.3305 20602.2175 14473.5772 243.7062 -202873.7213 2160.5438 0.0000 0.0000 52019.4399 -109479.9062 298.9564 -161499.3461 -109113.0366 299.3954 -250.5016 -222.4362 761374.1484 -3.8871 -3.9962 PRESSURE: 4564800 -94.6579 106.399 57.3776 106.399 -246.903 -190.522 57.3784 -190.523 10.714 GPRESSURE: 4564800 -104.78 103.348 -33.371 194.536 -210.687 -192.069 72.3959 -166.209 81.3802 PRESSAVG: 4564800 -55.8284 -0.882534 -8.79194 -0.8825 45.9385 -19.4443 -8.79201 -19.4443 -9.33804 GPRESSAVG: 4564800 -55.9735 -0.053137 -10.4159 1.34814 45.7284 -19.0395 -6.02955 -18.0679 -9.05496 TIMING: 4564800 CPU: 14482.7, 0.00315602/step Wall: 14482.7, 0.00315602/step, 0.381528 hours remaining, 240.917969 MB of memory in use. ENERGY: 4564800 3929.9994 20562.7041 14420.3989 227.7775 -203391.2021 2399.1233 0.0000 0.0000 52039.4746 -109811.7244 299.0716 -161851.1989 -109454.9528 299.0309 -110.2824 -78.0288 760336.9813 -6.4093 -6.4333 PRESSURE: 4565000 -58.0961 92.6324 93.339 92.6323 207.053 149.633 93.3388 149.631 53.8319 GPRESSURE: 4565000 -1.17544 99.2451 71.3581 85.7723 228.254 155.706 53.4135 36.6597 57.6823 PRESSAVG: 4565000 -53.7947 -27.6558 -32.4295 -27.6557 24.4156 -28.3281 -32.4295 -28.3282 14.2515 GPRESSAVG: 4565000 -53.1477 -24.6966 -32.2383 -29.8236 24.2692 -27.2189 -34.6877 -29.8421 13.9073 TIMING: 4565000 CPU: 14483.3, 0.00318379/step Wall: 14483.3, 0.00318379/step, 0.384708 hours remaining, 240.917969 MB of memory in use. ENERGY: 4565000 4044.8041 20361.2530 14468.6267 244.1750 -203699.1212 2845.1655 0.0000 0.0000 51967.4703 -109767.6266 298.6578 -161735.0969 -109409.0880 299.0253 67.5963 94.9201 761844.3021 -5.0425 -4.9904 PRESSURE: 4565200 -41.0293 -213.261 226.293 -213.26 48.7796 -7.38259 226.293 -7.38192 -325.559 GPRESSURE: 4565200 63.8613 -213.631 166.4 -156.879 13.3354 55.495 147.593 56.5499 -337.136 PRESSAVG: 4565200 29.0335 -17.8792 10.8752 -17.8792 7.24147 35.8613 10.8752 35.8612 6.38273 GPRESSAVG: 4565200 29.0412 -20.6527 12.1448 -15.9557 7.55649 34.4574 11.3697 36.1928 5.91191 TIMING: 4565200 CPU: 14484, 0.00318893/step Wall: 14484, 0.00318893/step, 0.385152 hours remaining, 240.917969 MB of memory in use. ENERGY: 4565200 3999.1283 20478.2128 14434.3305 259.6979 -203788.6851 2582.1143 0.0000 0.0000 52202.7797 -109832.4216 300.0101 -162035.2013 -109467.9942 298.3378 -105.9361 -86.6463 760339.5415 14.2192 14.1699 PRESSURE: 4565400 -224.595 -193.001 -17.5827 -193.002 -145.72 -162.126 -17.5823 -162.127 -184.559 GPRESSURE: 4565400 -194.369 -279.084 42.3175 -90.268 -209.972 -157.559 -66.2719 -220.2 -82.6946 PRESSAVG: 4565400 5.76531 -16.3432 -19.7135 -16.3432 -28.3074 3.87729 -19.7134 3.8773 1.7248 GPRESSAVG: 4565400 5.08168 -12.535 -20.766 -18.6059 -28.4338 3.43926 -19.9102 5.71119 2.22829 TIMING: 4565400 CPU: 14484.6, 0.0031576/step Wall: 14484.6, 0.0031576/step, 0.381192 hours remaining, 240.917969 MB of memory in use. ENERGY: 4565400 4048.8688 20479.2058 14513.9391 257.6383 -203371.6611 2487.2945 0.0000 0.0000 51910.1094 -109674.6052 298.3281 -161584.7145 -109317.1202 298.4393 -184.9583 -162.3452 762951.5850 -6.9391 -7.0413 PRESSURE: 4565600 -109.979 36.9185 77.4699 36.9188 -93.7478 -76.7063 77.4694 -76.7048 -37.8966 GPRESSURE: 4565600 -115.697 -10.657 255.376 16.4317 5.03462 -76.0995 56.4011 -64.6723 -49.6705 PRESSAVG: 4565600 -24.717 -25.8181 20.5589 -25.8181 26.1223 -3.16327 20.5589 -3.16324 16.281 GPRESSAVG: 4565600 -24.8271 -28.1276 20.8717 -26.5098 26.4753 -1.07284 19.9379 -5.43992 15.7012 TIMING: 4565600 CPU: 14485.2, 0.00315724/step Wall: 14485.2, 0.00315725/step, 0.380974 hours remaining, 240.917969 MB of memory in use. ENERGY: 4565600 4020.8020 20533.8426 14465.3132 243.9092 -203424.3892 2308.3515 0.0000 0.0000 52118.8597 -109733.3109 299.5278 -161852.1707 -109370.6699 299.1855 -80.5412 -53.4444 761607.3586 5.8954 5.7831 PRESSURE: 4565800 -91.179 -10.5692 -37.9781 -10.5691 -127.404 -43.5457 -37.9778 -43.546 251.706 GPRESSURE: 4565800 23.7529 79.924 -47.6783 -2.04893 -108.171 41.3184 -52.7875 25.013 194.874 PRESSAVG: 4565800 10.0152 -61.7293 -17.0358 -61.7292 2.59504 7.35106 -17.0357 7.3511 20.3408 GPRESSAVG: 4565800 9.48318 -61.9383 -18.1419 -59.8502 1.57474 4.77878 -16.188 11.678 21.783 TIMING: 4565800 CPU: 14485.9, 0.00313422/step Wall: 14485.9, 0.00313422/step, 0.378022 hours remaining, 240.917969 MB of memory in use. ENERGY: 4565800 3988.4337 20478.4273 14429.0253 265.4352 -203359.2019 2480.7397 0.0000 0.0000 52093.9022 -109623.2385 299.3844 -161717.1407 -109268.8113 298.8741 11.0408 36.8187 761346.0616 10.9837 10.9470 PRESSURE: 4566000 63.3795 211.562 -109.176 211.562 -123.691 -63.2363 -109.175 -63.2359 149.01 GPRESSURE: 4566000 83.7241 237.742 -80.4491 250.264 -66.3371 -59.7719 -65.3048 75.3332 165.378 PRESSAVG: 4566000 44.4566 -41.1921 -23.0122 -41.1921 3.33661 21.3835 -23.0122 21.3835 -19.8764 GPRESSAVG: 4566000 45.6198 -40.947 -22.0638 -41.8227 4.42537 22.1577 -22.3674 18.3796 -21.7784 TIMING: 4566000 CPU: 14486.5, 0.00315093/step Wall: 14486.5, 0.00315093/step, 0.379862 hours remaining, 240.917969 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: 4566000 4007.6646 20404.2459 14497.6702 264.7461 -203948.8623 2857.3683 0.0000 0.0000 51994.3872 -109922.7800 298.8125 -161917.1672 -109551.6526 298.7520 29.5662 60.9216 761853.4132 9.3056 9.4223 PRESSURE: 4566200 -311.511 35.6929 99.7811 35.694 -65.8062 -139.963 99.7804 -139.963 21.1805 GPRESSURE: 4566200 -193.427 -42.4014 116.624 64.943 -42.4565 -208.116 -5.86627 -42.0098 -7.3633 PRESSAVG: 4566200 -15.6239 -19.7351 -9.95717 -19.7352 13.888 70.2649 -9.95712 70.2649 -20.7385 GPRESSAVG: 4566200 -16.0173 -19.4036 -11.4101 -18.1871 13.1958 69.4411 -9.3697 69.9298 -19.9892 TIMING: 4566200 CPU: 14487.1, 0.00314242/step Wall: 14487.1, 0.00314242/step, 0.378661 hours remaining, 240.917969 MB of memory in use. ENERGY: 4566200 3943.4155 20514.9001 14454.4612 240.7296 -203366.1928 2429.1953 0.0000 0.0000 51843.9278 -109939.5632 297.9478 -161783.4910 -109577.3542 298.7357 -118.7124 -81.0823 761121.2071 -7.4915 -7.6035 PRESSURE: 4566400 96.083 170.676 393.172 170.677 -251.778 185.952 393.173 185.952 171.571 GPRESSURE: 4566400 170.08 180.519 375.762 82.4565 -204.206 206.599 372.599 252.23 128.837 PRESSAVG: 4566400 -35.3136 -49.2784 32.6622 -49.2785 41.0391 48.4308 32.6622 48.4308 -24.4688 GPRESSAVG: 4566400 -34.5059 -50.4946 34.4595 -51.3215 40.5205 49.889 30.8528 46.7561 -24.1102 TIMING: 4566400 CPU: 14487.8, 0.00314613/step Wall: 14487.8, 0.00314613/step, 0.378934 hours remaining, 240.917969 MB of memory in use. ENERGY: 4566400 3965.6032 20432.5633 14429.8411 253.8989 -203424.1667 2626.9524 0.0000 0.0000 51800.6718 -109914.6359 297.6992 -161715.3077 -109556.7516 298.5535 5.2919 31.5702 761104.4347 -6.2478 -6.0319 PRESSURE: 4566600 -91.8649 160.881 -489.679 160.881 -48.9151 90.173 -489.678 90.1738 -150.889 GPRESSURE: 4566600 -122.094 79.8111 -549.963 179.628 -19.1591 60.6489 -240.272 76.1448 -75.7797 PRESSAVG: 4566600 -10.2417 -21.2895 -12.6562 -21.2895 19.2974 23.9014 -12.6562 23.9014 29.9567 GPRESSAVG: 4566600 -10.9339 -21.416 -13.6975 -20.1256 21.0859 22.7788 -10.8662 26.5747 28.9238 TIMING: 4566600 CPU: 14488.4, 0.00315293/step Wall: 14488.4, 0.00315293/step, 0.379577 hours remaining, 240.917969 MB of memory in use. ENERGY: 4566600 3952.4697 20324.3182 14437.4315 232.8641 -203686.3334 2756.9043 0.0000 0.0000 51743.9616 -110238.3840 297.3733 -161982.3456 -109875.8966 297.9738 -97.2229 -72.3443 761066.4092 13.0041 13.0253 PRESSURE: 4566800 -75.7589 -113.324 1.73637 -113.325 -270.518 -77.1046 1.73754 -77.106 -189.855 GPRESSURE: 4566800 21.6224 -63.9015 51.5864 -44.8958 -287.762 -172.012 -17.288 17.9317 -206.721 PRESSAVG: 4566800 -38.1699 -3.31035 14.0064 -3.3104 14.2632 24.1482 14.0064 24.1483 -38.8501 GPRESSAVG: 4566800 -37.9126 -2.63429 13.4596 -3.08968 12.3706 22.4908 13.2551 24.3863 -37.9162 TIMING: 4566800 CPU: 14489, 0.00315979/step Wall: 14489, 0.00315979/step, 0.380228 hours remaining, 240.917969 MB of memory in use. ENERGY: 4566800 3992.0475 20234.1003 14434.1740 259.6059 -203620.9540 2655.7512 0.0000 0.0000 51792.3731 -110252.9019 297.6515 -162045.2751 -109891.9711 297.0896 -178.7104 -157.6203 761644.8151 -20.9189 -21.1527 PRESSURE: 4567000 -115.921 0.352186 -8.68055 0.353547 -337.537 113.682 -8.67987 113.681 21.2387 GPRESSURE: 4567000 -117.913 -55.4093 67.9914 -19.096 -272.57 102.909 -90.3565 34.4092 34.0509 PRESSAVG: 4567000 -25.5312 -25.5064 4.58931 -25.5064 57.0773 -25.9405 4.58928 -25.9406 21.8411 GPRESSAVG: 4567000 -24.8831 -26.0115 5.61518 -25.2045 56.3309 -23.8656 3.52011 -24.8354 21.947 TIMING: 4567000 CPU: 14489.6, 0.00315395/step Wall: 14489.6, 0.00315395/step, 0.37935 hours remaining, 240.917969 MB of memory in use. ENERGY: 4567000 3955.0533 20288.8418 14381.8634 269.6420 -203580.6518 2703.0371 0.0000 0.0000 51827.1636 -110155.0506 297.8514 -161982.2142 -109796.3972 297.5134 -144.0734 -118.8109 761395.2547 17.7957 17.7982 PRESSURE: 4567200 58.8023 -284.973 -131.311 -284.973 102.641 62.7904 -131.311 62.7905 -107.193 GPRESSURE: 4567200 89.1155 -321.648 -63.6387 -293.61 126.603 160.644 -140.523 136.891 -57.4024 PRESSAVG: 4567200 -10.6112 -4.9558 -73.9855 -4.9558 9.67822 -12.2547 -73.9855 -12.2546 -31.5605 GPRESSAVG: 4567200 -11.2454 -4.9635 -74.0786 -7.33294 10.5413 -11.1689 -70.9713 -13.5217 -31.4953 TIMING: 4567200 CPU: 14490.3, 0.00312766/step Wall: 14490.3, 0.00312766/step, 0.376015 hours remaining, 240.917969 MB of memory in use. ENERGY: 4567200 4020.7350 20211.9556 14459.4503 238.0900 -203228.9045 2452.5568 0.0000 0.0000 51676.6881 -110169.4286 296.9866 -161846.1167 -109804.5041 297.6024 18.0835 52.7719 762196.3878 -10.8312 -10.7331 PRESSURE: 4567400 166.85 -11.4449 138.699 -11.4452 149.41 27.7972 138.699 27.799 118.682 GPRESSURE: 4567400 219.181 -95.0169 65.3306 -62.6218 189.147 98.4187 73.8743 30.4933 100.015 PRESSAVG: 4567400 -29.2307 -25.3164 -0.669656 -25.3164 -1.37431 4.9887 -0.669665 4.98874 -0.666161 GPRESSAVG: 4567400 -28.0469 -25.683 -0.0657115 -24.9342 -0.502253 4.31183 -4.72066 5.18071 -2.72512 TIMING: 4567400 CPU: 14490.9, 0.00314923/step Wall: 14490.9, 0.00314923/step, 0.378433 hours remaining, 240.917969 MB of memory in use. ENERGY: 4567400 3939.1855 20336.2854 14481.9780 230.1304 -203608.4027 2660.6380 0.0000 0.0000 51692.6295 -110267.5560 297.0783 -161960.1855 -109905.3171 297.5743 144.9805 169.4475 762236.3484 -10.4237 -10.4248 PRESSURE: 4567600 -126.303 93.9527 -202.891 93.9537 -40.5672 1.97188 -202.891 1.97191 239.353 GPRESSURE: 4567600 -75.8647 73.2198 -198.925 119.06 -27.4583 47.7322 -57.7757 -27.8549 255.35 PRESSAVG: 4567600 17.614 -42.6178 22.725 -42.6178 -0.932935 14.6139 22.725 14.6139 34.8098 GPRESSAVG: 4567600 17.5154 -40.3045 21.3184 -42.4922 -1.78855 14.7513 24.2994 15.5929 36.3129 TIMING: 4567600 CPU: 14491.5, 0.00316253/step Wall: 14491.5, 0.00316253/step, 0.379855 hours remaining, 240.917969 MB of memory in use. ENERGY: 4567600 3867.6387 20482.2236 14442.6562 237.2560 -203474.3706 2670.0792 0.0000 0.0000 51592.6722 -110181.8446 296.5038 -161774.5168 -109818.3516 297.0312 24.1609 50.6756 761975.2309 17.1636 17.3466 PRESSURE: 4567800 -94.1702 27.3566 7.05215 27.3564 -418.678 309.532 7.05283 309.532 130.775 GPRESSURE: 4567800 -102.107 -23.1458 10.9308 124.442 -300.921 215.865 -29.0348 121.259 112.28 PRESSAVG: 4567800 15.4435 4.33145 21.9267 4.33143 43.6129 0.844524 21.9267 0.8445 -6.38785 GPRESSAVG: 4567800 15.6156 4.56847 23.3702 4.56079 43.4993 1.28114 23.2418 0.253655 -6.56111 TIMING: 4567800 CPU: 14492.2, 0.00317279/step Wall: 14492.2, 0.00317279/step, 0.380911 hours remaining, 240.917969 MB of memory in use. ENERGY: 4567800 3989.0357 20422.1848 14446.1615 224.7391 -203721.6777 2626.6414 0.0000 0.0000 51836.1588 -110176.7563 297.9031 -162012.9151 -109823.9939 297.8154 -127.3579 -96.9159 761956.2603 17.5562 17.5179 PRESSURE: 4568000 -146.083 117.497 77.8951 117.497 -155.261 -169.632 77.896 -169.632 43.6046 GPRESSURE: 4568000 -172.585 90.7491 18.5365 52.237 -76.3692 -99.8949 170.343 -152.706 57.0631 PRESSAVG: 4568000 4.40176 42.1852 2.31436 42.1853 -23.9375 80.5167 2.3144 80.5166 -1.92912 GPRESSAVG: 4568000 3.08971 40.975 1.01064 42.3821 -23.0753 80.0585 2.12098 78.8751 -1.73986 TIMING: 4568000 CPU: 14492.8, 0.00316555/step Wall: 14492.8, 0.00316555/step, 0.379866 hours remaining, 240.917969 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: 4568000 3941.8064 20318.1242 14502.2844 225.2287 -203530.2995 2444.5165 0.0000 0.0000 51886.5124 -110211.8269 298.1925 -162098.3393 -109852.7950 298.0472 -85.9129 -63.9638 760800.6547 -7.1550 -7.2418 PRESSURE: 4568200 82.796 -2.34848 191.323 -2.34716 317.483 -42.5594 191.323 -42.5592 -123.582 GPRESSURE: 4568200 208.441 -35.3664 74.251 -38.8725 248.14 -33.0628 133.619 -9.39375 -77.6756 PRESSAVG: 4568200 31.9419 -5.95168 -13.3674 -5.95161 13.975 34.8248 -13.3674 34.8249 1.68501 GPRESSAVG: 4568200 32.7175 -5.75083 -13.7497 -6.74965 12.891 35.4443 -12.8317 35.3532 1.9499 TIMING: 4568200 CPU: 14493.4, 0.00316207/step Wall: 14493.4, 0.00316207/step, 0.379273 hours remaining, 240.917969 MB of memory in use. ENERGY: 4568200 3950.3055 20309.2757 14346.2603 253.8660 -203766.7837 2711.3655 0.0000 0.0000 51821.9103 -110373.8005 297.8212 -162195.7108 -110011.8154 297.5746 92.2326 126.3017 759956.4205 15.8673 15.8528 LDB: ============= START OF LOAD BALANCING ============== 14505.9 LDB: ============== END OF LOAD BALANCING =============== 14505.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14505.9 LDB: ============= START OF LOAD BALANCING ============== 14506.2 LDB: Largest compute 7060 load 0.034375 is 17.6% of average load 0.195453 LDB: Average compute 0.004379 is 2.2% of average load 0.195453 LDB: TIME 14506.2 LOAD: AVG 0.195453 MAX 0.213639 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 14506.2 LOAD: AVG 0.195453 MAX 0.213639 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.164 MB LDB: TIME 14506.2 LOAD: AVG 0.195453 MAX 0.213639 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.164 MB LDB: ============== END OF LOAD BALANCING =============== 14506.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14506.2 PRESSURE: 4568400 -134.129 6.57161 -37.2109 6.57249 -203.036 218.063 -37.2101 218.063 529.529 GPRESSURE: 4568400 -174.095 -29.178 -51.6656 49.91 -111.372 200.7 38.4379 147.821 565.083 PRESSAVG: 4568400 37.2573 -63.6285 31.3829 -63.6285 32.1293 9.97077 31.3828 9.97079 -5.12614 GPRESSAVG: 4568400 37.0685 -64.2643 33.0101 -62.9319 33.1236 10.3987 30.0185 10.1128 -5.94535 TIMING: 4568400 CPU: 14494.1, 0.00322907/step Wall: 14494.1, 0.00322907/step, 0.387129 hours remaining, 239.121094 MB of memory in use. ENERGY: 4568400 3979.0303 20228.1895 14538.3211 251.7619 -203608.6759 2492.5231 0.0000 0.0000 51573.0969 -110545.7531 296.3913 -162118.8500 -110185.0570 297.3637 64.1210 93.2055 760603.7385 21.4202 21.4156 PRESSURE: 4568600 128.465 298.589 18.0645 298.589 4.83929 47.9158 18.065 47.9157 -146.798 GPRESSURE: 4568600 153.177 191.849 3.52722 194.312 -16.5603 59.7109 -17.1041 88.2657 -51.2723 PRESSAVG: 4568600 -10.9325 41.5353 1.2165 41.5352 -7.82882 -17.6442 1.21652 -17.6442 7.40843 GPRESSAVG: 4568600 -10.5975 42.9344 0.173887 37.745 -8.86991 -17.961 -0.597223 -17.92 8.04739 TIMING: 4568600 CPU: 14494.7, 0.00316201/step Wall: 14494.7, 0.00316201/step, 0.378915 hours remaining, 239.121094 MB of memory in use. ENERGY: 4568600 3902.1846 20542.7739 14351.8819 225.9182 -204096.0906 2888.8714 0.0000 0.0000 51651.5483 -110532.9123 296.8422 -162184.4606 -110177.7015 296.9818 -4.4977 28.4481 759206.3137 -3.7843 -3.8067 PRESSURE: 4568800 -192.941 12.2709 -71.9843 12.2697 -142.825 150.603 -71.9841 150.604 195.202 GPRESSURE: 4568800 -216.062 189 -160.05 -114.871 -40.2543 172.715 117.442 129.404 209.215 PRESSAVG: 4568800 -0.535264 23.1255 -10.6374 23.1254 35.8867 38.728 -10.6375 38.728 1.68438 GPRESSAVG: 4568800 -1.11801 24.2347 -9.98593 26.3197 35.9607 39.4461 -7.63365 38.334 1.78854 TIMING: 4568800 CPU: 14495.3, 0.00313501/step Wall: 14495.3, 0.00313501/step, 0.375504 hours remaining, 239.121094 MB of memory in use. ENERGY: 4568800 4033.4876 20485.4360 14462.2642 242.5956 -203757.8684 2515.2602 0.0000 0.0000 51872.8730 -110145.9518 298.1141 -162018.8248 -109799.8748 297.1903 -46.8543 -15.7005 760127.5093 12.3453 12.2104 PRESSURE: 4569000 -115.231 171.241 -45.8506 171.242 -300.301 94.839 -45.8514 94.8385 -365.702 GPRESSURE: 4569000 -123.695 94.7695 4.6533 118.579 -296.362 102.645 -29.725 -7.81373 -270.875 PRESSAVG: 4569000 8.93171 -25.1611 1.84951 -25.1611 -35.2782 34.6301 1.84954 34.6302 -7.2067 GPRESSAVG: 4569000 9.42351 -26.555 3.34092 -25.3753 -35.1518 32.8157 -0.161324 36.4439 -7.20896 TIMING: 4569000 CPU: 14496, 0.00314054/step Wall: 14496, 0.00314054/step, 0.375992 hours remaining, 239.121094 MB of memory in use. ENERGY: 4569000 3957.3904 20591.9937 14448.6148 242.6076 -203561.3637 2512.3246 0.0000 0.0000 51505.0859 -110303.3467 296.0004 -161808.4326 -109949.9348 297.8271 -260.4117 -230.3105 760587.9343 -11.1844 -10.9791 PRESSURE: 4569200 -220.865 88.8539 -167.493 88.8541 -113.056 -55.0426 -167.494 -55.0416 -164.057 GPRESSURE: 4569200 -222.37 209.421 -185.795 52.2587 -74.6506 39.4836 -80.3248 105.626 -121.402 PRESSAVG: 4569200 -25.9939 -31.2849 -67.723 -31.2849 1.64416 -40.6398 -67.723 -40.6398 -26.8645 GPRESSAVG: 4569200 -26.0057 -31.726 -69.1819 -32.2904 0.540539 -40.0264 -67.0684 -40.2901 -25.7569 TIMING: 4569200 CPU: 14496.6, 0.00313612/step Wall: 14496.6, 0.00313612/step, 0.375289 hours remaining, 239.121094 MB of memory in use. ENERGY: 4569200 3991.3696 20366.6804 14414.8599 223.7640 -203461.8799 2347.6912 0.0000 0.0000 51978.3455 -110139.1694 298.7203 -162117.5149 -109780.7495 297.5296 -165.9927 -139.4741 760056.9737 -17.0714 -17.0740 PRESSURE: 4569400 428.804 -54.8117 -80.1848 -54.813 -248.113 136.323 -80.1853 136.323 14.4771 GPRESSURE: 4569400 360.47 -61.0617 -81.8801 -28.3512 -213.091 143.407 -62.7499 116.165 136.591 PRESSAVG: 4569400 43.802 -32.0882 32.3963 -32.0882 -48.692 -13.6035 32.3963 -13.6034 -17.8708 GPRESSAVG: 4569400 43.2899 -30.5054 32.0528 -31.6292 -47.1404 -14.0039 31.1267 -17.3106 -18.9042 TIMING: 4569400 CPU: 14497.2, 0.00312793/step Wall: 14497.2, 0.00312793/step, 0.374135 hours remaining, 239.121094 MB of memory in use. ENERGY: 4569400 3978.8005 20484.4379 14407.9684 228.8832 -203405.4767 2548.6476 0.0000 0.0000 51656.2175 -110100.5216 296.8690 -161756.7391 -109743.7274 298.3758 65.0562 94.6569 760560.7993 -7.5869 -7.5849 PRESSURE: 4569600 209.85 -62.767 -109.861 -62.7667 -158.007 -149.348 -109.862 -149.347 -33.3841 GPRESSURE: 4569600 295.378 24.9305 -30.8783 -42.1097 -180.89 -101.043 -10.939 -120.726 0.684269 PRESSAVG: 4569600 31.2294 -29.3189 40.5069 -29.3188 -35.7617 -28.1358 40.5069 -28.1358 5.92653 GPRESSAVG: 4569600 31.5435 -31.9218 40.844 -28.3609 -35.2221 -27.4478 40.8971 -26.7474 5.70737 TIMING: 4569600 CPU: 14497.8, 0.00313417/step Wall: 14497.8, 0.00313417/step, 0.374707 hours remaining, 239.121094 MB of memory in use. ENERGY: 4569600 3932.5467 20388.7810 14471.1729 249.0085 -203845.9634 2681.7037 0.0000 0.0000 52163.5753 -109959.1754 299.7848 -162122.7507 -109594.9345 298.6104 6.1532 38.3909 760876.6401 0.4648 0.6763 PRESSURE: 4569800 169.058 -193.596 73.627 -193.595 -206.073 -14.7894 73.6265 -14.7895 90.2359 GPRESSURE: 4569800 333.26 -111.812 81.8939 -146.046 -200.285 -108.265 78.8206 -13.6282 -8.30047 PRESSAVG: 4569800 21.225 -47.4787 21.0923 -47.4787 -4.38786 8.46654 21.0923 8.46662 -7.37713 GPRESSAVG: 4569800 22.5152 -45.3944 21.4904 -48.6516 -5.75603 4.5977 22.3004 9.66993 -7.507 TIMING: 4569800 CPU: 14498.5, 0.00314345/step Wall: 14498.5, 0.00314345/step, 0.375642 hours remaining, 239.121094 MB of memory in use. ENERGY: 4569800 4022.3304 20413.0190 14461.8250 252.5624 -203752.0830 2709.6336 0.0000 0.0000 51899.3029 -109993.4098 298.2660 -161892.7127 -109636.5668 298.5182 17.7403 41.5583 759627.5982 3.1533 3.0840 PRESSURE: 4570000 179.544 104.494 362.2 104.493 -354.512 -268.593 362.2 -268.594 203.956 GPRESSURE: 4570000 126.02 95.1843 385.686 0.190836 -150.63 -372.061 264.693 -92.6108 146.022 PRESSAVG: 4570000 32.0768 4.5065 57.1708 4.50649 -26.2813 33.8463 57.1708 33.8463 2.10398 GPRESSAVG: 4570000 30.3837 2.84479 56.7156 5.00443 -23.6095 37.3734 57.0516 32.6941 1.72554 TIMING: 4570000 CPU: 14499.1, 0.00314447/step Wall: 14499.1, 0.00314447/step, 0.37559 hours remaining, 239.121094 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: 4570000 3988.0793 20335.1896 14400.1400 266.6047 -203751.2557 2614.0687 0.0000 0.0000 52161.4962 -109985.6773 299.7728 -162147.1734 -109625.4979 298.4481 9.6625 40.4707 760561.2667 2.6332 2.8332 PRESSURE: 4570200 245.531 -118.999 -66.0719 -119 -28.6054 -282.771 -66.0721 -282.771 199.791 GPRESSURE: 4570200 258.908 -20.5549 -15.7218 -112.068 51.0105 -294.478 -167.933 -115.613 214.523 PRESSAVG: 4570200 23.7911 -63.0631 16.4001 -63.0632 -11.1851 -43.7316 16.4 -43.7317 34.6566 GPRESSAVG: 4570200 23.6533 -58.8983 17.2564 -63.4914 -10.8343 -44.2709 14.7992 -43.2056 34.6892 TIMING: 4570200 CPU: 14499.7, 0.00314495/step Wall: 14499.7, 0.00314495/step, 0.375473 hours remaining, 239.121094 MB of memory in use. ENERGY: 4570200 3980.4517 20469.2956 14424.6112 242.6066 -203239.9707 2273.0711 0.0000 0.0000 52071.5479 -109778.3867 299.2559 -161849.9345 -109420.3087 298.5712 138.9055 174.8138 759953.5053 15.7542 15.8361 PRESSURE: 4570400 -276.612 15.1514 -20.8466 15.1521 169.937 26.8303 -20.8459 26.8303 -129.242 GPRESSURE: 4570400 -180.009 39.5032 -41.1215 109.139 173.976 80.2031 -48.2925 -6.32247 -139.922 PRESSAVG: 4570400 -1.44564 12.6728 -12.5677 12.6728 17.0272 -16.4568 -12.5677 -16.4568 1.87897 GPRESSAVG: 4570400 -1.26573 10.9335 -14.4561 14.0904 15.1472 -16.2033 -10.6648 -15.1517 3.50589 TIMING: 4570400 CPU: 14500.4, 0.00313879/step Wall: 14500.4, 0.00313879/step, 0.374562 hours remaining, 239.121094 MB of memory in use. ENERGY: 4570400 3965.5747 20494.2526 14422.1493 253.2518 -202994.7311 2191.9856 0.0000 0.0000 51889.2604 -109778.2567 298.2083 -161667.5171 -109416.3299 298.4504 -78.6390 -48.6516 760599.5536 5.8202 5.7958 PRESSURE: 4570600 -406.827 117.559 -55.6945 117.558 328.998 172.853 -55.6942 172.854 -114.514 GPRESSURE: 4570600 -251.321 -9.30393 -132.403 190.405 234.731 255.932 -152.579 -4.79412 -80.4381 PRESSAVG: 4570600 26.3668 -7.89075 30.4501 -7.89077 6.70774 -14.04 30.4501 -14.0399 12.4034 GPRESSAVG: 4570600 26.7592 -11.2866 30.6155 -8.85971 8.13854 -13.8147 28.2612 -16.6235 9.94512 TIMING: 4570600 CPU: 14501, 0.00314058/step Wall: 14501, 0.00314058/step, 0.374601 hours remaining, 239.121094 MB of memory in use. ENERGY: 4570600 3997.3689 20457.9816 14449.0284 250.5741 -203778.4725 2793.4619 0.0000 0.0000 52171.0078 -109659.0498 299.8275 -161830.0576 -109297.7440 299.1819 -64.1141 -32.3427 759233.4859 15.1593 14.9476 PRESSURE: 4570800 -122.955 151 53.3802 151 21.0949 -260.929 53.3793 -260.929 92.7214 GPRESSURE: 4570800 -113.614 79.6655 19.7493 216.595 48.1106 -218.593 79.7205 -131.991 149.245 PRESSAVG: 4570800 29.6415 -29.3633 -40.7453 -29.3632 -24.821 -35.1419 -40.7453 -35.1419 -11.3087 GPRESSAVG: 4570800 30.5332 -25.8806 -40.9005 -30.14 -26.2562 -36.6898 -37.1443 -32.924 -10.7212 TIMING: 4570800 CPU: 14501.6, 0.00314801/step Wall: 14501.6, 0.00314801/step, 0.375313 hours remaining, 239.121094 MB of memory in use. ENERGY: 4570800 3968.6256 20397.3138 14444.7532 253.6721 -203420.4559 2631.9097 0.0000 0.0000 51986.7384 -109737.4431 298.7685 -161724.1815 -109380.5283 299.2345 -3.0461 27.9139 760182.8318 -2.1628 -2.1481 PRESSURE: 4571000 221.082 253.768 -17.7651 253.768 -5.10093 87.7939 -17.7654 87.7943 67.8282 GPRESSURE: 4571000 220.969 214.469 -71.8465 209.009 119.659 44.3972 -111.878 -33.493 15.6912 PRESSAVG: 4571000 31.5773 -68.8764 61.185 -68.8765 -33.5889 -9.65244 61.185 -9.6524 -4.25069 GPRESSAVG: 4571000 31.1434 -71.5353 61.9401 -67.0141 -33.1794 -9.98596 60.8314 -13.0603 -4.12726 TIMING: 4571000 CPU: 14502.2, 0.00314609/step Wall: 14502.2, 0.00314609/step, 0.374909 hours remaining, 239.121094 MB of memory in use. ENERGY: 4571000 4018.5151 20538.0182 14497.5035 248.0729 -203814.7046 2716.6229 0.0000 0.0000 51958.5626 -109837.4094 298.6066 -161795.9720 -109481.4263 298.4552 94.6031 118.7731 758777.6525 -2.0874 -2.0544 PRESSURE: 4571200 -4.23584 310.487 -76.4801 310.487 -166.221 -160.674 -76.48 -160.673 74.5621 GPRESSURE: 4571200 -84.9638 164.662 -82.7187 388.945 -25.9857 -118.378 17.8088 -9.99865 121.726 PRESSAVG: 4571200 43.2862 9.18501 6.82805 9.18507 -40.1169 -36.4765 6.82808 -36.4765 17.0137 GPRESSAVG: 4571200 42.3301 11.5653 6.25839 7.73769 -39.4262 -35.6134 5.1575 -32.4253 17.9176 TIMING: 4571200 CPU: 14502.9, 0.00313144/step Wall: 14502.9, 0.00313144/step, 0.372989 hours remaining, 239.121094 MB of memory in use. ENERGY: 4571200 3995.2600 20551.7904 14400.7982 232.7066 -203250.4726 2406.3088 0.0000 0.0000 51843.0214 -109820.5873 297.9426 -161663.6087 -109450.5660 298.5506 -31.9648 3.5921 761450.2821 6.7276 6.9405 PRESSURE: 4571400 61.8657 117.883 -234.426 117.883 291.864 -137.648 -234.426 -137.648 71.5372 GPRESSURE: 4571400 91.1186 123.469 -227.578 27.6788 299.337 -151.058 -167.692 -11.4884 120.453 PRESSAVG: 4571400 18.2671 70.9462 7.52852 70.9463 0.58692 -26.8039 7.52844 -26.8038 30.035 GPRESSAVG: 4571400 18.9508 71.3295 5.39851 69.5032 -0.354455 -26.9233 9.07239 -28.5535 29.7874 TIMING: 4571400 CPU: 14503.5, 0.0031395/step Wall: 14503.5, 0.0031395/step, 0.373775 hours remaining, 239.121094 MB of memory in use. ENERGY: 4571400 3997.0970 20358.3798 14486.5516 248.1465 -203427.8676 2594.5639 0.0000 0.0000 51930.7894 -109812.3394 298.4470 -161743.1288 -109444.5770 298.2915 141.7555 170.3027 758846.7123 16.2963 16.1279 PRESSURE: 4571600 -94.9244 -81.5981 -189.137 -81.5985 -68.0295 123.035 -189.138 123.035 -500.167 GPRESSURE: 4571600 -27.9536 -32.9216 -254.235 -78.957 -56.768 147.457 -71.9611 136.053 -480.478 PRESSAVG: 4571600 15.1466 15.5486 94.9749 15.5486 9.36329 0.305634 94.9748 0.305595 2.30691 GPRESSAVG: 4571600 16.1762 14.3994 96.719 17.4009 9.06795 0.998954 95.6678 0.327104 1.48714 TIMING: 4571600 CPU: 14504.1, 0.00314155/step Wall: 14504.1, 0.00314155/step, 0.373844 hours remaining, 239.121094 MB of memory in use. ENERGY: 4571600 4063.1708 20423.8334 14435.6791 256.4167 -203338.4542 2472.9347 0.0000 0.0000 51606.5786 -110079.8409 296.5837 -161686.4195 -109724.5930 297.9961 -221.0403 -188.4000 760309.0876 8.9389 8.9104 PRESSURE: 4571800 229.722 -40.0071 -301.864 -40.0071 -188.958 246.703 -301.864 246.703 31.3704 GPRESSURE: 4571800 240.717 -44.3132 -370.932 -61.2518 -41.4283 219.346 -338.417 317.381 -37.6562 PRESSAVG: 4571800 30.0483 -16.7843 -3.15609 -16.7844 -10.5016 31.6049 -3.15609 31.6049 0.495327 GPRESSAVG: 4571800 28.5759 -17.9573 -3.62982 -17.9988 -10.2171 30.641 -6.41419 31.0291 1.35358 TIMING: 4571800 CPU: 14504.8, 0.00315857/step Wall: 14504.8, 0.00315857/step, 0.375695 hours remaining, 239.121094 MB of memory in use. ENERGY: 4571800 4035.4135 20477.8133 14419.6578 239.6205 -203650.7622 2452.0941 0.0000 0.0000 51757.3227 -110268.8404 297.4500 -162026.1630 -109909.3110 297.5933 24.0449 53.8776 759058.6471 6.6807 6.5708 PRESSURE: 4572000 -394.564 47.2007 -74.7531 47.1996 -289.557 -193.152 -74.7531 -193.153 14.6073 GPRESSURE: 4572000 -402.09 -39.6649 -3.72388 58.2841 -153.819 -160.29 -28.6647 -211.068 -12.6024 PRESSAVG: 4572000 -0.862517 -2.6715 -45.6725 -2.6715 -11.8022 -15.0568 -45.6726 -15.0568 1.15081 GPRESSAVG: 4572000 -1.09265 -2.63461 -44.7065 -2.51919 -11.9034 -14.6981 -44.3889 -13.8024 1.44659 TIMING: 4572000 CPU: 14505.4, 0.00313835/step Wall: 14505.4, 0.00313835/step, 0.373115 hours remaining, 239.121094 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: 4572000 4021.3157 20632.8566 14517.6987 240.3308 -203514.9049 2190.6175 0.0000 0.0000 51839.7832 -110072.3025 297.9239 -161912.0857 -109708.7612 298.0147 -223.1713 -189.5037 760504.9639 -3.8380 -3.8498 PRESSURE: 4572200 166.258 -51.3167 -186.214 -51.3169 -146.981 53.0048 -186.215 53.0048 -165.925 GPRESSURE: 4572200 152.796 -109.74 -133.335 51.8271 -115.916 114.354 -173.595 -84.7006 -114.015 PRESSAVG: 4572200 -22.9153 -2.2432 31.3223 -2.24317 23.8277 -57.7124 31.3223 -57.7124 13.7072 GPRESSAVG: 4572200 -22.959 -1.90131 30.892 0.173436 23.71 -58.282 32.0901 -57.6213 13.7112 TIMING: 4572200 CPU: 14506, 0.00316334/step Wall: 14506, 0.00316334/step, 0.375911 hours remaining, 239.121094 MB of memory in use. ENERGY: 4572200 4089.0266 20532.4166 14472.2806 250.1187 -203836.6662 2512.2386 0.0000 0.0000 51967.8742 -110012.7109 298.6601 -161980.5851 -109645.2256 298.8353 -48.8825 -25.7116 759393.8126 4.8732 4.8207 LDB: ============= START OF LOAD BALANCING ============== 14518.5 LDB: ============== END OF LOAD BALANCING =============== 14518.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14518.5 LDB: ============= START OF LOAD BALANCING ============== 14518.8 LDB: Largest compute 7026 load 0.034702 is 17.8% of average load 0.195485 LDB: Average compute 0.004382 is 2.2% of average load 0.195485 LDB: TIME 14518.8 LOAD: AVG 0.195485 MAX 0.21415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.664 MB LDB: TIME 14518.8 LOAD: AVG 0.195485 MAX 0.21415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.664 MB LDB: TIME 14518.8 LOAD: AVG 0.195485 MAX 0.21415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.664 MB LDB: ============== END OF LOAD BALANCING =============== 14518.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14518.8 PRESSURE: 4572400 246.143 84.3714 42.9416 84.3713 460.816 -314.793 42.9422 -314.793 -74.4379 GPRESSURE: 4572400 385.546 125.029 51.312 17.2522 448.091 -309.867 -0.952501 -204.999 -134.205 PRESSAVG: 4572400 2.08443 43.0211 30.9393 43.0211 19.8458 -26.8368 30.9393 -26.8368 -6.4258 GPRESSAVG: 4572400 2.27399 42.0144 29.8749 43.7438 18.951 -27.5532 32.1456 -26.248 -6.52299 TIMING: 4572400 CPU: 14506.7, 0.0032288/step Wall: 14506.7, 0.0032288/step, 0.38351 hours remaining, 241.437500 MB of memory in use. ENERGY: 4572400 3905.3216 20530.0098 14492.6505 256.4295 -204370.9012 3058.2316 0.0000 0.0000 52028.8528 -110099.4055 299.0105 -162128.2583 -109741.5905 298.4029 210.8401 233.1442 757833.9531 5.1681 4.9007 PRESSURE: 4572600 -57.8236 96.7251 65.3094 96.725 -38.593 -243.776 65.3095 -243.774 273.398 GPRESSURE: 4572600 -137.333 100.005 -12.7578 29.3031 124.208 -364.916 53.277 -77.7897 282.113 PRESSAVG: 4572600 -2.47383 5.37103 -8.29853 5.37109 11.9874 -2.43516 -8.29851 -2.43512 6.15853 GPRESSAVG: 4572600 -3.12831 7.52734 -6.6424 2.79528 13.3199 -1.39024 -9.62989 -1.36948 6.16632 TIMING: 4572600 CPU: 14507.3, 0.00316024/step Wall: 14507.3, 0.00316024/step, 0.375191 hours remaining, 241.437500 MB of memory in use. ENERGY: 4572600 3989.6971 20560.9698 14467.2690 241.6886 -204090.3387 2652.2625 0.0000 0.0000 51992.8477 -110185.6040 298.8036 -162178.4517 -109828.7006 298.2730 58.9939 89.6627 758826.0201 5.2240 5.4526 PRESSURE: 4572800 -574.193 -5.60329 -147.235 -5.6042 -199.685 74.3618 -147.236 74.3622 -103.309 GPRESSURE: 4572800 -493.614 0.312852 -96.049 -101.905 -119.922 167.266 -119.643 -0.677634 -169.912 PRESSAVG: 4572800 -28.7003 -24.486 -30.2215 -24.4861 8.72918 30.4704 -30.2214 30.4704 -2.7886 GPRESSAVG: 4572800 -28.5139 -26.7143 -29.3122 -24.094 8.24424 29.537 -32.232 29.3313 -2.75447 TIMING: 4572800 CPU: 14507.9, 0.00315059/step Wall: 14507.9, 0.00315059/step, 0.37387 hours remaining, 241.437500 MB of memory in use. ENERGY: 4572800 3945.0022 20616.3051 14399.0897 234.0392 -203557.2080 2421.1246 0.0000 0.0000 51579.7620 -110361.8852 296.4296 -161941.6472 -109997.8665 297.9833 -292.3956 -261.1495 759894.6785 -7.5866 -7.6747 PRESSURE: 4573000 -290.82 -6.90002 331.548 -6.89991 250.542 264.147 331.549 264.148 49.5668 GPRESSURE: 4573000 -122.309 68.5097 310.186 -2.44633 198.797 292.928 273.126 249.125 21.4368 PRESSAVG: 4573000 -33.4576 -14.4743 52.86 -14.4743 32.7777 29.9199 52.86 29.92 16.4585 GPRESSAVG: 4573000 -32.3831 -13.8909 51.1693 -15.8161 32.1195 30.9617 54.1082 29.3521 16.4439 TIMING: 4573000 CPU: 14508.6, 0.0031572/step Wall: 14508.6, 0.0031572/step, 0.374479 hours remaining, 241.437500 MB of memory in use. ENERGY: 4573000 3921.9458 20414.6485 14471.8243 232.0904 -203374.2577 2372.2682 0.0000 0.0000 51842.0815 -110119.3991 297.9372 -161961.4806 -109747.8001 298.0330 3.0961 32.6414 762673.0542 5.2595 5.3934 PRESSURE: 4573200 275.852 -218.438 105.58 -218.438 -105.691 109.654 105.58 109.654 -61.5933 GPRESSURE: 4573200 221.902 -170.447 31.1445 -159.491 -66.0531 132.883 191.091 129.022 29.0694 PRESSAVG: 4573200 -1.9939 20.0085 37.2862 20.0085 19.798 37.7815 37.2862 37.7815 4.06911 GPRESSAVG: 4573200 -3.60089 18.6927 37.6124 21.8262 21.0509 37.8929 38.6752 37.1031 3.88208 TIMING: 4573200 CPU: 14509.2, 0.00313778/step Wall: 14509.2, 0.00313778/step, 0.372002 hours remaining, 241.437500 MB of memory in use. ENERGY: 4573200 3977.9408 20435.4501 14487.8517 230.3122 -203757.9634 2775.8911 0.0000 0.0000 51831.5605 -110018.9570 297.8767 -161850.5175 -109660.5249 298.4209 36.1892 61.6394 760028.9383 7.2911 7.1107 PRESSURE: 4573400 43.0477 -87.9194 -117.511 -87.9193 209.355 55.8964 -117.511 55.8958 97.6289 GPRESSURE: 4573400 143.491 -134.183 -130.506 -189.093 296.035 63.8985 46.2013 160.115 8.30094 PRESSAVG: 4573400 -30.4996 -75.3849 -11.4928 -75.3849 16.8868 -34.4865 -11.4928 -34.4866 -12.0516 GPRESSAVG: 4573400 -30.5925 -73.2074 -11.1284 -76.8685 15.824 -34.9969 -15.0092 -32.6054 -10.9792 TIMING: 4573400 CPU: 14509.8, 0.00316625/step Wall: 14509.8, 0.00316625/step, 0.375201 hours remaining, 241.437500 MB of memory in use. ENERGY: 4573400 3910.3224 20452.1824 14513.9602 243.1205 -203978.1927 2873.6869 0.0000 0.0000 52035.5184 -109949.4020 299.0488 -161984.9204 -109595.3885 297.9250 116.6771 149.2755 760474.8928 -8.5548 -8.5826 PRESSURE: 4573600 -123.952 -156.086 -0.736655 -156.086 -153.204 -338.27 -0.737572 -338.269 -206.984 GPRESSURE: 4573600 -27.562 -209.65 -151.139 -174.847 -171.155 -297.695 -12.0101 -362.994 -199.821 PRESSAVG: 4573600 12.2354 -38.9203 12.9684 -38.9203 -53.8457 41.3288 12.9684 41.3289 -13.4314 GPRESSAVG: 4573600 12.1824 -38.4126 11.1282 -38.8993 -53.3238 40.9345 18.0947 40.409 -14.2547 TIMING: 4573600 CPU: 14510.5, 0.00314344/step Wall: 14510.5, 0.00314344/step, 0.372323 hours remaining, 241.437500 MB of memory in use. ENERGY: 4573600 4019.3236 20283.8533 14558.0024 257.3353 -203766.9113 2543.2506 0.0000 0.0000 52072.1480 -110032.9982 299.2594 -162105.1462 -109676.1663 298.1226 -161.3798 -132.8458 760427.9068 -18.3473 -18.4654 PRESSURE: 4573800 113.243 -78.799 57.4403 -78.7991 309.316 58.7181 57.4399 58.7186 128.302 GPRESSURE: 4573800 160.278 90.5999 56.6571 -47.8405 291.98 -37.64 138.857 73.0419 174.483 PRESSAVG: 4573800 -24.9101 6.55344 2.07107 6.55343 -34.8991 34.1604 2.07115 34.1603 31.0025 GPRESSAVG: 4573800 -24.8241 6.83186 3.61226 6.09764 -35.9836 33.2653 0.251753 34.6281 31.9395 TIMING: 4573800 CPU: 14511.1, 0.00316551/step Wall: 14511.1, 0.00316551/step, 0.374761 hours remaining, 241.437500 MB of memory in use. ENERGY: 4573800 3938.6954 20397.0600 14543.0781 234.8878 -203435.1541 2711.7058 0.0000 0.0000 51988.3888 -109621.3382 298.7780 -161609.7269 -109256.0963 298.3225 183.6203 208.9139 762322.8356 -9.6023 -9.6227 PRESSURE: 4574000 -12.0839 -279.794 61.2337 -279.793 -220.07 13.3881 61.2341 13.3877 409.801 GPRESSURE: 4574000 -61.9925 -222.112 205.473 -182.328 -70.9058 -13.4922 123.51 74.5521 415.908 PRESSAVG: 4574000 66.7288 -4.90597 11.4026 -4.90592 -12.0675 -20.4056 11.4026 -20.4057 0.110177 GPRESSAVG: 4574000 65.8927 -6.60002 11.4135 -3.63069 -10.1937 -19.4461 11.0409 -21.0755 -1.37847 TIMING: 4574000 CPU: 14511.7, 0.00315242/step Wall: 14511.7, 0.00315242/step, 0.373036 hours remaining, 241.437500 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: 4574000 4014.0621 20637.2416 14417.8467 243.4165 -203418.3542 2743.7102 0.0000 0.0000 51756.2377 -109605.8394 297.4438 -161362.0772 -109262.5847 299.1799 59.2157 94.3366 761454.9140 18.2572 18.1068 PRESSURE: 4574200 -6.7512 -59.2187 102.157 -59.2184 -315.069 127.653 102.157 127.654 16.4212 GPRESSURE: 4574200 114.241 -44.7833 78.9336 47.0176 -374.791 71.2554 72.8997 161.452 44.4499 PRESSAVG: 4574200 34.7619 -18.9233 -19.976 -18.9233 6.30887 51.4251 -19.9759 51.4251 12.5837 GPRESSAVG: 4574200 35.3647 -18.5147 -18.6392 -19.1743 4.76609 53.3658 -20.9255 50.1393 13.9022 TIMING: 4574200 CPU: 14512.3, 0.00314467/step Wall: 14512.3, 0.00314467/step, 0.371944 hours remaining, 241.437500 MB of memory in use. ENERGY: 4574200 3958.9158 20485.3418 14558.4508 227.5084 -203240.5235 2433.1020 0.0000 0.0000 51813.1577 -109764.0470 297.7709 -161577.2047 -109406.6589 299.2269 -101.7997 -72.0333 761620.6376 17.8848 18.0110 PRESSURE: 4574400 211.903 -4.01871 75.2824 -4.01803 50.6605 -67.2231 75.2832 -67.2227 -3.71178 GPRESSURE: 4574400 261.391 -149.247 47.3503 -79.5848 100.026 -17.86 77.7736 11.6878 6.62454 PRESSAVG: 4574400 -24.7489 -13.0231 -7.77151 -13.0231 49.693 14.0605 -7.77154 14.0604 -15.542 GPRESSAVG: 4574400 -23.7603 -14.764 -6.65475 -13.3456 50.0373 11.7363 -7.32111 17.4691 -16.4831 TIMING: 4574400 CPU: 14513, 0.00312723/step Wall: 14513, 0.00312723/step, 0.369708 hours remaining, 241.437500 MB of memory in use. ENERGY: 4574400 3958.5316 20366.8151 14470.1965 244.2246 -203604.4554 2721.8628 0.0000 0.0000 51922.7904 -109920.0345 298.4010 -161842.8248 -109565.2409 298.1174 86.2839 122.6803 760069.0323 3.1340 3.2646 PRESSURE: 4574600 212.872 154.886 125.425 154.886 -101.668 -107.678 125.426 -107.678 -36.1943 GPRESSURE: 4574600 242.719 41.0937 53.3433 199.058 -118.356 -97.9087 82.2059 36.9457 48.2988 PRESSAVG: 4574600 54.513 -19.8508 16.832 -19.8508 -61.2603 -20.1111 16.832 -20.111 -6.1805 GPRESSAVG: 4574600 54.3485 -19.3474 15.9818 -20.189 -61.5084 -18.6426 15.6949 -22.6908 -5.86319 TIMING: 4574600 CPU: 14513.6, 0.00312561/step Wall: 14513.6, 0.00312561/step, 0.369342 hours remaining, 241.437500 MB of memory in use. ENERGY: 4574600 3980.2861 20420.3994 14527.1610 254.9434 -203591.0574 2636.2567 0.0000 0.0000 52027.4270 -109744.5837 299.0023 -161772.0107 -109374.2661 298.3094 25.0034 57.5540 760563.7211 -4.3093 -4.3410 PRESSURE: 4574800 -260.054 -38.8111 105.195 -38.8112 209.566 -59.5039 105.195 -59.5031 -213.191 GPRESSURE: 4574800 -201.27 -171.21 99.9834 65.8519 255.212 32.0221 235.247 -109.924 -247.799 PRESSAVG: 4574800 25.3996 26.5844 -5.12465 26.5844 -24.8586 0.0652834 -5.12469 0.0652131 7.73678 GPRESSAVG: 4574800 24.4506 25.9564 -6.19031 24.7857 -24.0128 -0.0888218 -3.75092 -0.152421 7.5493 TIMING: 4574800 CPU: 14514.2, 0.00314311/step Wall: 14514.2, 0.00314311/step, 0.371236 hours remaining, 241.437500 MB of memory in use. ENERGY: 4574800 3905.9810 20689.5894 14401.5183 238.6449 -203394.6066 2353.7912 0.0000 0.0000 52069.1832 -109735.8985 299.2423 -161805.0817 -109381.0357 298.9232 -87.8933 -64.6189 760544.0938 2.7592 2.6623 PRESSURE: 4575000 -293.796 -63.9427 -127.338 -63.9429 51.5841 280.211 -127.338 280.211 -326.526 GPRESSURE: 4575000 -213.042 79.9109 -140.209 -79.345 83.1045 246.503 -141.852 335.466 -343.036 PRESSAVG: 4575000 -4.70798 3.637 -3.95887 3.63694 6.36132 1.44218 -3.95887 1.44216 2.48463 GPRESSAVG: 4575000 -5.48842 5.2127 -3.38246 5.93215 6.54649 0.602186 -5.30524 2.49892 2.95983 TIMING: 4575000 CPU: 14514.9, 0.00315802/step Wall: 14514.9, 0.00315802/step, 0.372821 hours remaining, 241.437500 MB of memory in use. ENERGY: 4575000 4068.2558 20511.7597 14483.6625 255.2836 -203221.7270 2303.9336 0.0000 0.0000 51840.1912 -109758.6406 297.9263 -161598.8318 -109399.3289 298.9718 -189.5796 -157.6580 759376.7503 1.3793 1.3393 PRESSURE: 4575200 -211.804 148.344 -90.3551 148.345 -63.9062 224.272 -90.3551 224.271 -307.391 GPRESSURE: 4575200 -134.157 102.835 -98.6926 155.755 -66.2903 131.399 1.30493 143.604 -302.066 PRESSAVG: 4575200 -32.3246 1.04328 -11.0344 1.04335 43.8972 42.1262 -11.0344 42.1262 11.8849 GPRESSAVG: 4575200 -31.5461 -1.38145 -12.2278 1.70527 43.852 42.0045 -11.2816 40.2207 10.8488 TIMING: 4575200 CPU: 14515.5, 0.00314657/step Wall: 14515.5, 0.00314657/step, 0.371295 hours remaining, 241.437500 MB of memory in use. ENERGY: 4575200 3967.1865 20428.9058 14465.8232 246.8552 -203166.2021 2236.4800 0.0000 0.0000 52028.2356 -109792.7159 299.0070 -161820.9515 -109432.7526 298.6771 -194.3671 -167.5046 759943.0928 7.8192 7.7183 PRESSURE: 4575400 -52.7177 -83.8057 -78.6997 -83.8053 -77.116 58.8267 -78.6996 58.8261 -141.439 GPRESSURE: 4575400 -45.0558 -63.2256 -79.1666 -104.939 -74.7192 108.778 -106.297 95.1855 -67.3648 PRESSAVG: 4575400 10.8906 -53.0667 -8.07252 -53.0668 37.0025 16.3327 -8.07257 16.3327 1.8861 GPRESSAVG: 4575400 11.5821 -51.3343 -7.71867 -53.9415 35.5471 18.5996 -5.11478 15.476 2.21419 TIMING: 4575400 CPU: 14516.1, 0.00314622/step Wall: 14516.1, 0.00314622/step, 0.371079 hours remaining, 241.437500 MB of memory in use. ENERGY: 4575400 4036.5548 20354.4490 14380.6940 226.2808 -203511.5413 2558.4153 0.0000 0.0000 52152.3750 -109802.7724 299.7204 -161955.1474 -109434.0371 299.0144 -90.4244 -62.3800 760769.8247 16.5931 16.4478 PRESSURE: 4575600 65.5371 -19.0128 161.168 -19.0126 -166.898 -96.2238 161.169 -96.2232 124.795 GPRESSURE: 4575600 8.00234 45.3318 185.747 -9.56581 -136.136 -116.798 211.208 76.08 222.364 PRESSAVG: 4575600 -55.8181 -9.22912 15.0786 -9.22912 31.8279 -4.14629 15.0786 -4.14621 -9.85521 GPRESSAVG: 4575600 -56.8422 -7.51084 16.4844 -9.142 31.0651 -6.49049 14.4207 -2.76975 -8.1735 TIMING: 4575600 CPU: 14516.7, 0.00314006/step Wall: 14516.7, 0.00314006/step, 0.370178 hours remaining, 241.437500 MB of memory in use. ENERGY: 4575600 4018.7003 20392.2827 14441.3786 240.2255 -204031.4892 2779.7250 0.0000 0.0000 52210.9725 -109948.2048 300.0572 -162159.1772 -109588.5543 299.0941 7.8113 31.4102 759612.4399 -11.2818 -11.3169 PRESSURE: 4575800 28.2758 15.6276 113.303 15.6282 107.34 110.979 113.303 110.979 -270.639 GPRESSURE: 4575800 169.84 48.2092 114.301 -33.57 135.835 65.1393 75.3933 156.326 -338.242 PRESSAVG: 4575800 38.3573 -47.8842 12.4794 -47.8842 -52.2205 -7.3592 12.4794 -7.35923 -3.36585 GPRESSAVG: 4575800 39.3487 -47.4134 12.0475 -50.1145 -51.2239 -6.61063 11.4333 -6.12575 -4.5887 TIMING: 4575800 CPU: 14517.4, 0.00315449/step Wall: 14517.4, 0.00315449/step, 0.371704 hours remaining, 241.437500 MB of memory in use. ENERGY: 4575800 4033.8346 20414.0193 14404.6140 253.5873 -203618.1484 2494.0263 0.0000 0.0000 52031.2528 -109986.8141 299.0243 -162018.0669 -109619.1459 299.2485 -45.0076 -10.8553 760260.2983 -5.7430 -5.4880 PRESSURE: 4576000 -135.121 126.638 82.1165 126.638 35.7935 -89.3257 82.1164 -89.3259 -43.1389 GPRESSURE: 4576000 -95.8799 219.36 116.712 157.744 62.9294 -88.2573 -45.9285 -95.8649 -26.2828 PRESSAVG: 4576000 30.4739 -16.322 5.22493 -16.3221 -36.1316 -22.5944 5.22501 -22.5943 6.87269 GPRESSAVG: 4576000 29.3992 -19.3487 3.6705 -14.001 -34.8958 -23.2952 4.83895 -21.6875 6.9356 TIMING: 4576000 CPU: 14518, 0.00316408/step Wall: 14518, 0.00316408/step, 0.372659 hours remaining, 241.437500 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: 4576000 3976.1123 20407.9376 14436.4867 247.0240 -203577.7997 2563.4042 0.0000 0.0000 51774.2497 -110172.5852 297.5473 -161946.8349 -109811.1719 298.3932 -47.4887 -19.7444 761428.9175 0.4050 0.4797 PRESSURE: 4576200 -3.01938 -82.1708 37.8724 -82.1702 39.4919 -99.5933 37.8727 -99.5934 246.083 GPRESSURE: 4576200 86.5146 -45.1635 44.455 -52.4591 62.1144 -118.266 108.468 -2.34208 229.273 PRESSAVG: 4576200 39.0836 17.4608 55.8859 17.4608 6.55003 0.978075 55.8859 0.978019 9.79279 GPRESSAVG: 4576200 40.5821 20.1391 55.647 17.7106 5.94332 0.71936 56.8105 -0.784645 9.5446 TIMING: 4576200 CPU: 14518.6, 0.00316169/step Wall: 14518.6, 0.00316169/step, 0.372201 hours remaining, 241.437500 MB of memory in use. ENERGY: 4576200 3959.1351 20397.3178 14392.7364 247.6180 -203278.4218 2624.1577 0.0000 0.0000 51946.5104 -109710.9465 298.5373 -161657.4569 -109347.7147 298.3548 94.1850 125.9675 762948.9504 18.4755 18.6900 LDB: ============= START OF LOAD BALANCING ============== 14531.1 LDB: ============== END OF LOAD BALANCING =============== 14531.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14531.1 LDB: ============= START OF LOAD BALANCING ============== 14531.4 LDB: Largest compute 7056 load 0.033708 is 17.2% of average load 0.195417 LDB: Average compute 0.004378 is 2.2% of average load 0.195417 LDB: TIME 14531.4 LOAD: AVG 0.195417 MAX 0.214948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.297 MB LDB: TIME 14531.4 LOAD: AVG 0.195417 MAX 0.214948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.391 MB LDB: TIME 14531.4 LOAD: AVG 0.195417 MAX 0.214948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.391 MB LDB: ============== END OF LOAD BALANCING =============== 14531.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14531.4 PRESSURE: 4576400 8.99355 3.45007 15.9533 3.45001 -179.129 51.2857 15.9538 51.2858 -255.049 GPRESSURE: 4576400 21.0025 -19.92 85.9327 -53.702 -208.348 -1.29785 -50.887 76.9997 -160.78 PRESSAVG: 4576400 74.8531 9.72638 77.2954 9.7263 -30.6712 -54.0192 77.2954 -54.0191 -17.8333 GPRESSAVG: 4576400 74.8561 9.75781 77.044 5.77149 -29.7095 -55.5515 75.6584 -52.9018 -18.7741 TIMING: 4576400 CPU: 14519.3, 0.00322144/step Wall: 14519.3, 0.00322144/step, 0.379056 hours remaining, 240.808594 MB of memory in use. ENERGY: 4576400 3947.8610 20454.3387 14429.4260 229.4817 -202936.9104 2299.3784 0.0000 0.0000 51968.3529 -109608.0718 298.6628 -161576.4246 -109245.3311 298.7169 -141.7282 -116.0416 762320.0017 8.7828 8.7908 PRESSURE: 4576600 -59.3014 -112.761 169.219 -112.761 -93.0703 -84.2519 169.218 -84.2521 -82.9408 GPRESSURE: 4576600 -59.4617 -111.088 120.764 -129.458 -38.3453 -110.621 160.708 -50.5437 -57.1093 PRESSAVG: 4576600 61.8239 -18.2843 56.6325 -18.2843 -62.8056 3.53317 56.6325 3.5332 4.17027 GPRESSAVG: 4576600 61.5383 -18.6665 57.6426 -16.5839 -63.3671 6.17738 56.2147 2.96036 4.82955 TIMING: 4576600 CPU: 14519.9, 0.00316145/step Wall: 14519.9, 0.00316145/step, 0.371821 hours remaining, 241.011719 MB of memory in use. ENERGY: 4576600 3944.6067 20604.1444 14469.6732 243.3031 -203348.7542 2380.2919 0.0000 0.0000 52159.3658 -109547.3692 299.7606 -161706.7350 -109177.1587 299.5327 -78.4375 -51.6388 763552.4038 1.0628 1.0003 PRESSURE: 4576800 -244.274 -44.5302 -24.1059 -44.5303 -105.052 -100.571 -24.1055 -100.57 -59.522 GPRESSURE: 4576800 -259.084 -63.8761 -30.8883 7.42331 33.7451 -81.1115 110.335 -175.116 -111.371 PRESSAVG: 4576800 1.30926 56.6313 48.1505 56.6313 -34.2707 -24.9237 48.1505 -24.9236 5.22059 GPRESSAVG: 4576800 1.34405 57.8864 47.2784 55.2685 -33.6353 -26.9123 50.184 -25.3206 4.44795 TIMING: 4576800 CPU: 14520.5, 0.00316315/step Wall: 14520.5, 0.00316315/step, 0.371846 hours remaining, 241.011719 MB of memory in use. ENERGY: 4576800 3994.0093 20383.2594 14394.0777 234.6225 -202981.0278 2261.6817 0.0000 0.0000 51922.9458 -109790.4314 298.4019 -161713.3772 -109422.5021 299.2273 -136.2826 -112.2364 762108.9998 -9.2469 -9.2811 PRESSURE: 4577000 -34.8557 -87.7889 28.9703 -87.7893 195.555 -178.028 28.9704 -178.029 -218.265 GPRESSURE: 4577000 55.8191 -52.5923 30.1188 -160.107 243.161 -172.021 -43.2139 -115.563 -257.292 PRESSAVG: 4577000 18.2601 24.4136 19.5568 24.4137 -49.0089 -4.33201 19.5569 -4.332 -11.3721 GPRESSAVG: 4577000 19.0611 21.7323 19.0241 27.4758 -49.4214 -2.88142 19.3423 -4.24685 -11.9827 TIMING: 4577000 CPU: 14521.2, 0.00314485/step Wall: 14521.2, 0.00314485/step, 0.36952 hours remaining, 241.011719 MB of memory in use. ENERGY: 4577000 3956.1577 20498.3862 14427.1696 234.1846 -203275.8158 2391.6306 0.0000 0.0000 51983.9375 -109784.3497 298.7524 -161768.2872 -109434.0130 298.2893 -19.1885 13.8962 763284.0039 -14.0403 -14.1143 PRESSURE: 4577200 -138.915 -196.439 175.126 -196.44 -107.808 -51.7791 175.124 -51.7791 126.798 GPRESSURE: 4577200 -53.4394 -240.462 164.419 -108.54 -102.929 -14.5451 18.9565 54.8936 121.382 PRESSAVG: 4577200 20.5627 -19.2958 4.4956 -19.2958 -10.8493 -3.67593 4.49555 -3.67593 -8.42838 GPRESSAVG: 4577200 19.3704 -18.5153 5.95864 -19.6082 -10.3036 -2.44346 1.21202 -5.06658 -7.59072 TIMING: 4577200 CPU: 14521.8, 0.00316016/step Wall: 14521.8, 0.00316016/step, 0.371143 hours remaining, 241.011719 MB of memory in use. ENERGY: 4577200 3959.9346 20501.8451 14401.7906 232.1943 -202973.0445 2274.0241 0.0000 0.0000 51832.4260 -109770.8298 297.8817 -161603.2558 -109418.3296 298.9573 -39.9750 -11.6623 761738.6935 0.4283 0.4920 PRESSURE: 4577400 -282.69 47.8235 10.9527 47.8232 436.568 -173.193 10.9525 -173.193 -82.2474 GPRESSURE: 4577400 -172.663 48.783 6.57676 -36.1791 363.363 -143.496 103.895 -224.348 -43.7877 PRESSAVG: 4577400 -2.74107 7.02288 22.0376 7.02295 19.2689 -51.3411 22.0376 -51.3411 24.4457 GPRESSAVG: 4577400 -1.6947 7.59984 19.966 5.42316 17.8131 -51.8956 24.4015 -49.0358 24.9896 TIMING: 4577400 CPU: 14522.4, 0.00315193/step Wall: 14522.4, 0.00315193/step, 0.370002 hours remaining, 241.011719 MB of memory in use. ENERGY: 4577400 3902.6902 20641.1521 14392.4649 262.6605 -203088.8200 2333.7463 0.0000 0.0000 51933.6904 -109622.4156 298.4636 -161556.1059 -109258.5433 298.9155 23.8769 48.9709 760446.2667 13.6578 13.7027 PRESSURE: 4577600 41.0337 -84.537 -26.0082 -84.5367 -170.603 115.405 -26.0097 115.406 -393.941 GPRESSURE: 4577600 47.2104 -91.1624 -76.573 -64.04 -118.866 95.8921 -7.19624 74.3249 -359.448 PRESSAVG: 4577600 58.12 -19.8171 -4.752 -19.8172 -85.8549 -10.3926 -4.75201 -10.3926 13.6659 GPRESSAVG: 4577600 56.8852 -18.7649 -3.26038 -18.6792 -84.6514 -11.7243 -4.85886 -10.9408 13.7217 TIMING: 4577600 CPU: 14523.1, 0.00315771/step Wall: 14523.1, 0.00315771/step, 0.370504 hours remaining, 241.011719 MB of memory in use. ENERGY: 4577600 4008.9830 20578.0315 14511.3833 248.6852 -203037.2762 2266.1857 0.0000 0.0000 51782.1884 -109641.8191 297.5929 -161424.0075 -109291.9990 299.1368 -174.5035 -143.7010 761565.1331 -4.6897 -4.6815 PRESSURE: 4577800 69.8219 -71.4126 316.737 -71.4125 227.939 -44.7437 316.738 -44.7436 88.0234 GPRESSURE: 4577800 161.988 -103.143 346.861 -155.437 233.889 -55.9986 295.059 -67.8806 87.6879 PRESSAVG: 4577800 7.4041 -53.5568 48.1134 -53.5568 10.0302 -1.34891 48.1134 -1.34887 -6.49259 GPRESSAVG: 4577800 8.24937 -55.3462 47.416 -53.7228 8.92869 -0.312756 47.8792 -3.15094 -6.53098 TIMING: 4577800 CPU: 14523.7, 0.00315936/step Wall: 14523.7, 0.00315936/step, 0.370523 hours remaining, 241.011719 MB of memory in use. ENERGY: 4577800 3935.6966 20533.3316 14381.5986 239.0761 -203502.7061 2656.6951 0.0000 0.0000 51986.0441 -109770.2640 298.7645 -161756.3082 -109408.4162 298.5790 128.5948 161.1881 761288.0098 3.6472 3.5490 PRESSURE: 4578000 -324.096 -110.663 99.2444 -110.663 -45.6881 45.9281 99.244 45.928 -94.6448 GPRESSURE: 4578000 -301.991 -31.1055 74.9729 -41.7046 7.26121 64.1325 120.858 16.8564 -72.9765 PRESSAVG: 4578000 4.73556 -84.6685 19.7755 -84.6685 3.09078 -2.59012 19.7755 -2.59011 10.315 GPRESSAVG: 4578000 4.32598 -83.1455 19.5493 -83.1453 4.23436 -5.26477 19.5875 -0.380735 9.20043 TIMING: 4578000 CPU: 14524.3, 0.00314774/step Wall: 14524.3, 0.00314774/step, 0.368985 hours remaining, 241.011719 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: 4578000 4001.3678 20282.7135 14501.3693 249.9675 -203371.5440 2480.1545 0.0000 0.0000 51905.4217 -109950.5496 298.3012 -161855.9713 -109592.1939 298.1658 -154.8096 -122.5689 759116.7065 6.0471 5.9203 PRESSURE: 4578200 304.549 -73.8461 -31.8948 -73.8465 -171.391 -72.8873 -31.8949 -72.888 -130.783 GPRESSURE: 4578200 278.1 -20.1941 25.3144 -2.64358 -115.085 -39.0953 -1.09654 -81.2166 -61.763 PRESSAVG: 4578200 17.7208 13.7715 37.2294 13.7715 12.5961 -63.8718 37.2294 -63.8718 -7.22302 GPRESSAVG: 4578200 16.1979 13.5503 37.0975 13.2188 12.2038 -62.8381 39.7711 -63.1491 -5.77507 TIMING: 4578200 CPU: 14525, 0.00316155/step Wall: 14525, 0.00316155/step, 0.370428 hours remaining, 241.011719 MB of memory in use. ENERGY: 4578200 3909.5202 20358.9509 14431.9527 243.7209 -203500.5421 2339.8350 0.0000 0.0000 52120.0766 -110096.4859 299.5348 -162216.5625 -109736.5553 298.5309 0.7915 33.7506 759486.3587 7.6980 7.5422 PRESSURE: 4578400 -210.311 69.7804 87.369 69.7799 193.973 44.361 87.369 44.3624 297.156 GPRESSURE: 4578400 -114.28 102.841 201.583 35.1168 166.05 7.80983 104.6 18.826 283.092 PRESSAVG: 4578400 -65.488 40.8405 62.0932 40.8404 16.6932 -20.5279 62.0933 -20.5279 6.91146 GPRESSAVG: 4578400 -64.6354 41.6582 65.5173 38.8693 17.6392 -19.6022 57.127 -21.6426 5.0518 TIMING: 4578400 CPU: 14525.6, 0.00314709/step Wall: 14525.6, 0.00314709/step, 0.368559 hours remaining, 241.011719 MB of memory in use. ENERGY: 4578400 3867.7649 20628.3009 14385.9350 245.1878 -203388.5591 2378.7037 0.0000 0.0000 51738.1327 -110144.5342 297.3398 -161882.6669 -109784.2686 298.0260 93.6058 111.6209 761316.2425 -13.9611 -13.9815 PRESSURE: 4578600 124.648 -7.3399 -159.181 -7.34022 -77.1489 -70.4943 -159.179 -70.4955 62.6873 GPRESSURE: 4578600 131.842 93.0998 -177.956 23.0153 -54.3342 -16.9483 -47.5709 -126.229 120.59 PRESSAVG: 4578600 43.7394 -4.60074 16.5798 -4.60076 -16.0126 -22.0211 16.5799 -22.0211 1.49076 GPRESSAVG: 4578600 42.9969 -3.11499 12.026 -5.3739 -18.6169 -21.9874 22.6685 -21.3254 4.69121 TIMING: 4578600 CPU: 14526.2, 0.00318069/step Wall: 14526.2, 0.00318069/step, 0.372317 hours remaining, 241.011719 MB of memory in use. ENERGY: 4578600 3927.4527 20508.1003 14456.1598 260.8925 -203934.7289 2862.7418 0.0000 0.0000 51760.7250 -110158.6567 297.4696 -161919.3818 -109797.4148 297.8596 36.7289 66.0325 760125.5062 9.7392 9.6904 PRESSURE: 4578800 -266.459 -3.0303 -149.221 -3.03002 -197.752 4.03614 -149.22 4.03529 -66.6827 GPRESSURE: 4578800 -193.721 68.6021 -155.365 -17.2778 -127.367 14.3988 -346.604 50.2216 -115.088 PRESSAVG: 4578800 37.3245 28.949 -85.0411 28.949 -19.649 -14.6704 -85.041 -14.6705 14.2594 GPRESSAVG: 4578800 38.1214 25.5362 -83.5363 30.2961 -18.5979 -14.3168 -88.3351 -16.6606 12.6241 TIMING: 4578800 CPU: 14526.9, 0.00317875/step Wall: 14526.9, 0.00317875/step, 0.371914 hours remaining, 241.011719 MB of memory in use. ENERGY: 4578800 3871.2383 20437.5951 14491.8563 255.0820 -203179.4989 2278.5496 0.0000 0.0000 51643.7518 -110201.4258 296.7974 -161845.1776 -109846.0391 297.5713 -176.9645 -145.3918 760642.3758 10.6450 10.7159 PRESSURE: 4579000 296.672 -30.6467 155.827 -30.6471 -234.476 -95.4941 155.826 -95.4937 123.846 GPRESSURE: 4579000 215.627 -36.1219 130.724 -81.0824 -84.4761 -49.9935 139.475 6.34501 140.632 PRESSAVG: 4579000 38.5813 15.1387 0.139467 15.1386 -45.7999 -48.3931 0.13944 -48.3932 -21.7239 GPRESSAVG: 4579000 38.5401 16.0531 1.22224 13.571 -45.2781 -48.7788 -0.143266 -47.6319 -21.4893 TIMING: 4579000 CPU: 14527.5, 0.00315493/step Wall: 14527.5, 0.00315493/step, 0.368951 hours remaining, 241.011719 MB of memory in use. ENERGY: 4579000 3943.4388 20424.4434 14391.0184 235.9394 -204082.4935 3025.2317 0.0000 0.0000 52079.9254 -109982.4964 299.3040 -162062.4218 -109614.8155 298.0962 62.0141 90.5943 760919.0240 -9.6475 -9.4091 PRESSURE: 4579200 -349.674 12.9155 33.7315 12.9156 -20.5608 91.694 33.7318 91.6932 -42.0701 GPRESSURE: 4579200 -300.84 -5.73316 191.086 -17.8281 -41.2388 97.3378 50.7939 -10.1174 -1.79232 PRESSAVG: 4579200 21.3853 29.5832 -16.6266 29.5833 11.4046 -23.8852 -16.6266 -23.8852 6.9991 GPRESSAVG: 4579200 22.2618 29.6754 -18.5199 29.863 10.6556 -24.293 -15.4471 -22.3436 7.0612 TIMING: 4579200 CPU: 14528.1, 0.00314825/step Wall: 14528.1, 0.00314825/step, 0.367995 hours remaining, 241.011719 MB of memory in use. ENERGY: 4579200 3989.1719 20516.9088 14513.0470 228.9138 -203442.4815 2472.6849 0.0000 0.0000 51839.6553 -109882.0999 297.9232 -161721.7552 -109519.2466 298.2321 -137.4350 -114.6237 760486.3823 13.2630 13.3262 PRESSURE: 4579400 31.8402 -223.628 -107.9 -223.627 -77.0331 -198.475 -107.899 -198.475 -8.46652 GPRESSURE: 4579400 -6.78507 -198.464 -147.88 -123.621 -20.8735 -177.627 40.0851 -209.055 43.7849 PRESSAVG: 4579400 -5.5401 48.4738 17.9862 48.4738 -28.9089 -4.11253 17.9862 -4.11249 7.92913 GPRESSAVG: 4579400 -6.54514 47.8109 20.2585 49.7796 -27.8399 -3.72082 17.6777 -5.66558 7.84451 TIMING: 4579400 CPU: 14528.8, 0.00314702/step Wall: 14528.8, 0.00314702/step, 0.367677 hours remaining, 241.011719 MB of memory in use. ENERGY: 4579400 4055.2231 20506.1906 14535.7149 239.2218 -203449.7062 2786.3090 0.0000 0.0000 51771.2990 -109555.7477 297.5304 -161327.0467 -109204.5384 298.4483 -17.8865 5.3754 762051.6077 -8.8400 -8.8468 PRESSURE: 4579600 -130.269 -161.504 -342.534 -161.504 -417.948 75.453 -342.534 75.4524 84.8549 GPRESSURE: 4579600 -174.44 -65.2822 -299.933 -96.5609 -341.282 66.5407 -383.678 25.5267 146.787 PRESSAVG: 4579600 36.5639 -33.8311 13.8402 -33.8311 -88.5489 -21.1139 13.8403 -21.1139 -3.31404 GPRESSAVG: 4579600 35.3804 -35.2101 13.5019 -30.9682 -88.038 -21.5406 13.4501 -22.6391 -3.27772 TIMING: 4579600 CPU: 14529.4, 0.00316606/step Wall: 14529.4, 0.00316606/step, 0.369725 hours remaining, 241.011719 MB of memory in use. ENERGY: 4579600 4009.7786 20462.9498 14494.6568 265.4268 -203179.0262 2438.2426 0.0000 0.0000 51965.3979 -109542.5737 298.6459 -161507.9716 -109184.8089 299.2297 -154.4543 -122.9786 763908.3304 -18.4330 -18.6451 PRESSURE: 4579800 50.6938 46.1891 -42.9778 46.1881 -128.156 132.414 -42.9784 132.415 -206.623 GPRESSURE: 4579800 -12.1161 -9.43586 -42.946 39.4332 -27.0796 106.923 -52.3924 77.7324 -177.315 PRESSAVG: 4579800 -11.8365 -74.3651 -24.4529 -74.3652 -34.2103 17.8844 -24.4529 17.8845 7.59812 GPRESSAVG: 4579800 -11.1634 -71.7541 -24.4819 -78.0812 -35.2586 18.038 -26.1491 19.3779 7.68936 TIMING: 4579800 CPU: 14530, 0.00315445/step Wall: 14530, 0.00315445/step, 0.368194 hours remaining, 241.011719 MB of memory in use. ENERGY: 4579800 4032.4260 20532.8805 14488.1307 233.7747 -203585.3888 2546.9883 0.0000 0.0000 52101.1761 -109650.0124 299.4262 -161751.1885 -109279.8984 299.1334 -94.6950 -72.1703 762023.2757 -12.8162 -12.9109 PRESSURE: 4580000 26.0746 -127.896 132.172 -127.896 -10.0805 -293.246 132.172 -293.246 -230.69 GPRESSURE: 4580000 144.703 -205.512 131.657 -111.757 -40.2605 -274.642 110.564 -172.094 -266.487 PRESSAVG: 4580000 58.1442 -37.408 29.9247 -37.4081 -25.2813 -19.1653 29.9247 -19.1653 -10.6115 GPRESSAVG: 4580000 58.276 -38.1788 29.6054 -36.5899 -24.4616 -18.9191 31.5481 -20.2867 -11.3799 TIMING: 4580000 CPU: 14530.7, 0.00317008/step Wall: 14530.7, 0.00317008/step, 0.369843 hours remaining, 241.011719 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: 4580000 3977.8502 20574.4347 14491.6245 235.6931 -203333.9439 2472.4617 0.0000 0.0000 52007.3836 -109574.4962 298.8871 -161581.8798 -109214.6762 298.9756 -71.5651 -54.0149 761048.4072 7.4172 7.4782 PRESSURE: 4580200 -105.795 -72.1737 92.8814 -72.1737 33.6732 117.294 92.8815 117.295 239.501 GPRESSURE: 4580200 -43.4942 -108.09 73.5625 -112.091 -7.07313 51.6621 74.4767 132.479 294.735 PRESSAVG: 4580200 4.05029 -50.3582 36.1218 -50.3581 25.8867 32.6272 36.1217 32.6273 8.76757 GPRESSAVG: 4580200 3.75178 -49.8044 34.5809 -51.1721 26.2758 31.1747 37.3235 35.8326 8.21919 TIMING: 4580200 CPU: 14531.3, 0.00316494/step Wall: 14531.3, 0.00316494/step, 0.369067 hours remaining, 241.011719 MB of memory in use. ENERGY: 4580200 3924.1189 20449.7417 14532.7810 221.9710 -203279.5301 2455.9362 0.0000 0.0000 51976.8917 -109718.0895 298.7119 -161694.9812 -109359.4985 299.4343 55.7932 81.3892 760210.6754 12.9015 12.7489 LDB: ============= START OF LOAD BALANCING ============== 14543.7 LDB: ============== END OF LOAD BALANCING =============== 14543.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14543.7 LDB: ============= START OF LOAD BALANCING ============== 14544.1 LDB: Largest compute 7060 load 0.034840 is 17.8% of average load 0.195485 LDB: Average compute 0.004381 is 2.2% of average load 0.195485 LDB: TIME 14544.1 LOAD: AVG 0.195485 MAX 0.215784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.574 MB LDB: TIME 14544.1 LOAD: AVG 0.195485 MAX 0.215784 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.777 MB LDB: TIME 14544.1 LOAD: AVG 0.195485 MAX 0.215784 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.777 MB LDB: ============== END OF LOAD BALANCING =============== 14544.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14544.1 PRESSURE: 4580400 -100.021 -245.626 66.2493 -245.627 -277.241 69.8779 66.2481 69.8766 -120.129 GPRESSURE: 4580400 1.5704 -360.697 70.9231 -186.7 -357.226 74.5372 -32.5293 0.936772 -69.8088 PRESSAVG: 4580400 2.61665 5.74432 35.8338 5.74437 20.0948 22.2627 35.8338 22.2628 -11.1144 GPRESSAVG: 4580400 2.89788 5.56939 36.6384 7.55077 18.6851 23.6729 34.9719 20.846 -10.642 TIMING: 4580400 CPU: 14531.9, 0.00322403/step Wall: 14531.9, 0.00322403/step, 0.375778 hours remaining, 240.867188 MB of memory in use. ENERGY: 4580400 4003.6843 20584.7499 14488.6583 242.2782 -203315.1756 2315.9664 0.0000 0.0000 51945.5886 -109734.2498 298.5320 -161679.8385 -109378.4105 299.0848 -165.7970 -141.8213 762219.1024 3.8657 3.6470 PRESSURE: 4580600 120.684 111.597 -122.583 111.597 -269.108 -50.7181 -122.584 -50.7191 -379.435 GPRESSURE: 4580600 176.465 120.614 -159.314 23.7368 -214.405 -3.65608 -242.494 -105.726 -386.393 PRESSAVG: 4580600 8.67055 -10.0433 46.197 -10.0433 -13.0178 29.1026 46.197 29.1026 3.22541 GPRESSAVG: 4580600 8.36911 -10.0754 47.8821 -11.815 -13.2584 28.56 45.5767 30.1692 3.78419 TIMING: 4580600 CPU: 14532.6, 0.00314233/step Wall: 14532.6, 0.00314233/step, 0.366082 hours remaining, 240.867188 MB of memory in use. ENERGY: 4580600 3904.7697 20437.3567 14508.6049 251.9761 -203405.0556 2717.0982 0.0000 0.0000 51949.2788 -109635.9711 298.5532 -161585.2500 -109272.9711 298.3298 -175.9532 -141.4446 763228.8723 -0.3739 -0.3684 PRESSURE: 4580800 -161.689 -96.5071 -79.1723 -96.5068 238.577 359.707 -79.1716 359.707 111.371 GPRESSURE: 4580800 -65.0267 -61.6209 -118.223 -128.397 260.136 426.089 -80.0886 214.719 78.5424 PRESSAVG: 4580800 6.96857 -78.4162 64.0744 -78.4162 -12.712 47.0649 64.0744 47.0649 -1.43705 GPRESSAVG: 4580800 7.1354 -80.2157 64.4602 -77.1811 -11.9824 47.5999 64.3875 45.2401 -2.22817 TIMING: 4580800 CPU: 14533.2, 0.00313095/step Wall: 14533.2, 0.00313095/step, 0.364582 hours remaining, 240.867188 MB of memory in use. ENERGY: 4580800 3911.7252 20505.2035 14496.9509 247.0116 -203482.4640 2878.3204 0.0000 0.0000 51737.7798 -109705.4726 297.3377 -161443.2523 -109345.1384 298.6236 62.7533 91.2172 761550.2674 -2.3935 -2.3584 PRESSURE: 4581000 -294.967 -193.168 -31.9561 -193.169 -136.177 28.1559 -31.9558 28.1572 -42.5918 GPRESSURE: 4581000 -248.667 -61.1968 -154.478 -125.302 -117.632 -69.7519 -83.6076 -13.1291 -40.4722 PRESSAVG: 4581000 40.9931 -5.97542 0.0452114 -5.97541 -0.12686 53.2933 0.0452169 53.2933 -3.95477 GPRESSAVG: 4581000 40.3723 -5.21958 -0.37048 -6.12801 -0.492228 52.9143 -0.821552 54.673 -3.65693 TIMING: 4581000 CPU: 14533.8, 0.00313587/step Wall: 14533.8, 0.00313587/step, 0.36498 hours remaining, 240.867188 MB of memory in use. ENERGY: 4581000 4003.0610 20573.8559 14411.6676 230.4399 -203186.4332 2578.0902 0.0000 0.0000 51851.9625 -109537.3561 297.9939 -161389.3185 -109176.7565 298.6654 -157.9121 -135.5904 762148.2558 12.3038 12.0744 PRESSURE: 4581200 88.5478 -147.947 -33.3177 -147.948 -462.496 124.812 -33.3183 124.811 116.408 GPRESSURE: 4581200 170.9 -199.578 -52.9881 -157.787 -356.056 200.086 139.891 182.273 30.3395 PRESSAVG: 4581200 11.0668 -77.2885 0.768199 -77.2886 -49.752 42.4017 0.768189 42.4017 3.01324 GPRESSAVG: 4581200 12.5069 -77.7312 -0.214614 -75.6254 -49.6138 42.5573 5.07344 42.6846 2.1002 TIMING: 4581200 CPU: 14534.4, 0.00314562/step Wall: 14534.4, 0.00314562/step, 0.365941 hours remaining, 240.867188 MB of memory in use. ENERGY: 4581200 3949.8114 20394.7786 14541.0360 237.9860 -203115.1333 2504.7754 0.0000 0.0000 51823.3093 -109663.4367 297.8293 -161486.7459 -109309.6335 298.4200 -85.8468 -51.6054 762120.7545 -11.8907 -11.6689 PRESSURE: 4581400 27.058 2.47651 -72.0404 2.47605 -83.8332 -43.4356 -72.041 -43.4365 -331.52 GPRESSURE: 4581400 51.7696 41.9736 -74.2855 32.6956 16.3295 17.5025 -11.3736 49.637 -350.359 PRESSAVG: 4581400 30.7193 -67.8299 -36.4628 -67.83 -51.6386 31.5135 -36.4628 31.5135 14.1244 GPRESSAVG: 4581400 29.1492 -67.6356 -35.0567 -67.3588 -51.6712 32.7676 -39.0318 28.7747 16.0562 TIMING: 4581400 CPU: 14535.1, 0.00314474/step Wall: 14535.1, 0.00314474/step, 0.365664 hours remaining, 240.867188 MB of memory in use. ENERGY: 4581400 3968.9762 20408.5656 14508.0804 247.5323 -203272.8520 2491.3620 0.0000 0.0000 52117.5876 -109530.7479 299.5205 -161648.3356 -109174.1297 298.8681 -129.4317 -94.0865 760717.9942 -2.2650 -2.1553 PRESSURE: 4581600 -286.317 -265.545 -74.5536 -265.546 147.756 149.313 -74.5545 149.312 -77.0227 GPRESSURE: 4581600 -98.8198 -118.231 -59.1838 -102.924 65.1873 134.914 -43.1234 84.5397 -87.6068 PRESSAVG: 4581600 6.84109 -30.6371 -3.43398 -30.6372 1.28241 47.2073 -3.43393 47.2072 -0.98149 GPRESSAVG: 4581600 7.37068 -31.8125 -4.77933 -29.4862 1.71132 45.624 -3.22415 49.3349 -2.08439 TIMING: 4581600 CPU: 14535.7, 0.0031494/step Wall: 14535.7, 0.0031494/step, 0.36603 hours remaining, 240.867188 MB of memory in use. ENERGY: 4581600 3974.8539 20456.9377 14433.9942 258.5971 -203333.4862 2461.8714 0.0000 0.0000 52280.8636 -109466.3682 300.4588 -161747.2318 -109098.2103 299.2738 -71.8611 -40.4131 759232.0430 2.3807 2.3325 PRESSURE: 4581800 -94.182 -10.3605 -207.683 -10.3603 -176.618 51.138 -207.683 51.1391 189.524 GPRESSURE: 4581800 -55.6307 -12.2032 -160.889 -64.8016 -76.8584 56.1301 -173.575 13.5731 129.858 PRESSAVG: 4581800 36.8313 -11.1763 20.2391 -11.1763 -12.3821 -4.91007 20.2391 -4.91006 8.55569 GPRESSAVG: 4581800 36.8204 -10.9179 21.0568 -13.8532 -12.6838 -4.88809 18.2844 -4.94108 9.07393 TIMING: 4581800 CPU: 14536.3, 0.00315688/step Wall: 14536.3, 0.00315688/step, 0.366724 hours remaining, 240.867188 MB of memory in use. ENERGY: 4581800 3936.6287 20496.6506 14439.4953 243.8538 -203493.6039 2716.8728 0.0000 0.0000 52254.2688 -109405.8339 300.3060 -161660.1027 -109033.7728 299.5875 -27.0919 -0.8769 758389.3552 11.0016 11.0702 PRESSURE: 4582000 154.18 2.74162 183.363 2.74184 28.796 -59.6866 183.364 -59.6867 343.717 GPRESSURE: 4582000 248.731 -25.2485 213.438 52.9172 47.551 61.8048 232.036 -118.331 305.37 PRESSAVG: 4582000 11.4763 -49.6134 -11.8414 -49.6134 10.106 -3.31312 -11.8414 -3.31311 25.3083 GPRESSAVG: 4582000 11.9553 -50.0095 -12.9989 -48.991 10.3176 -3.0197 -10.345 -3.25516 25.2778 TIMING: 4582000 CPU: 14537, 0.00313927/step Wall: 14537, 0.00313927/step, 0.364504 hours remaining, 240.867188 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: 4582000 3955.4649 20572.6785 14484.4760 240.4403 -203710.7988 2970.4280 0.0000 0.0000 52099.0633 -109388.2477 299.4140 -161487.3110 -109038.5769 300.3342 175.5642 200.5507 759609.9716 15.6302 15.8502 PRESSURE: 4582200 -279.726 179.935 -147.628 179.936 -288.951 -133.383 -147.628 -133.383 -163.39 GPRESSURE: 4582200 -247.761 219.795 -156.206 157.342 -236.189 -106.961 -163.209 -145.186 -155.197 PRESSAVG: 4582200 74.7666 32.7778 -9.45239 32.7778 -30.2715 19.1546 -9.45238 19.1545 -0.403901 GPRESSAVG: 4582200 74.4084 33.0073 -7.85662 34.0598 -30.8498 20.6729 -11.7463 17.0364 1.15237 TIMING: 4582200 CPU: 14537.6, 0.0031426/step Wall: 14537.6, 0.0031426/step, 0.364716 hours remaining, 240.867188 MB of memory in use. ENERGY: 4582200 3927.6292 20531.2594 14531.8872 266.0002 -203479.4777 2591.9917 0.0000 0.0000 51938.5823 -109692.1275 298.4917 -161630.7099 -109340.4263 299.0145 -244.0226 -213.0489 762754.9455 14.6970 14.9036 PRESSURE: 4582400 269.593 -17.0633 -159.952 -17.063 -357.174 7.61628 -159.951 7.61581 -69.7183 GPRESSURE: 4582400 196.59 -63.5991 -154.442 11.9301 -284.274 -11.9444 -156.624 43.0533 -15.1648 PRESSAVG: 4582400 -26.274 -23.2626 -50.5161 -23.2626 24.7668 -6.02043 -50.516 -6.02038 10.7666 GPRESSAVG: 4582400 -27.6659 -22.2342 -50.5165 -23.9839 26.2286 -7.38864 -48.1749 -3.53841 10.5083 TIMING: 4582400 CPU: 14538.2, 0.00314257/step Wall: 14538.2, 0.00314257/step, 0.364538 hours remaining, 240.867188 MB of memory in use. ENERGY: 4582400 3970.8279 20463.0694 14539.9920 245.3654 -203712.3832 2712.1164 0.0000 0.0000 52034.6221 -109746.3900 299.0437 -161781.0122 -109380.4713 298.5987 -52.4332 -34.2832 761569.3259 3.0865 3.0236 PRESSURE: 4582600 -346.477 84.1411 438.831 84.1405 -64.207 -78.9717 438.831 -78.9718 -101.35 GPRESSURE: 4582600 -269.144 245.973 396.887 117.211 -61.2279 -100.891 404.158 -64.1895 -123.756 PRESSAVG: 4582600 -16.7936 45.4999 27.838 45.4999 -40.4503 48.5584 27.8379 48.5584 -21.9508 GPRESSAVG: 4582600 -14.5759 45.3937 27.0744 43.7833 -40.3416 47.2478 26.5109 49.5002 -23.8795 TIMING: 4582600 CPU: 14538.9, 0.00317319/step Wall: 14538.9, 0.00317319/step, 0.367913 hours remaining, 240.867188 MB of memory in use. ENERGY: 4582600 4049.6739 20363.4855 14449.7046 245.0060 -202932.5902 2238.7867 0.0000 0.0000 51905.5222 -109680.4113 298.3017 -161585.9335 -109322.5606 298.1176 -170.6780 -151.3760 762009.5208 -26.3982 -26.2657 PRESSURE: 4582800 -48.2101 -47.4496 -183.438 -47.4495 46.7846 -190.059 -183.437 -190.059 -3.29349 GPRESSURE: 4582800 -3.32634 12.9782 -199.808 -38.3109 39.2954 -179.655 -143.947 -220.506 44.0147 PRESSAVG: 4582800 -16.7908 -24.7955 -26.2424 -24.7953 13.8905 19.3232 -26.2425 19.3232 7.78853 GPRESSAVG: 4582800 -17.0717 -24.0536 -27.0946 -22.6942 13.1089 20.1024 -24.5654 18.762 8.83504 TIMING: 4582800 CPU: 14539.5, 0.0031477/step Wall: 14539.5, 0.0031477/step, 0.364783 hours remaining, 240.867188 MB of memory in use. ENERGY: 4582800 4032.2540 20474.3075 14525.9737 259.5488 -203371.0368 2559.9743 0.0000 0.0000 51891.8193 -109627.1592 298.2230 -161518.9785 -109262.4278 298.1781 -1.5730 26.6613 760902.8231 1.6294 1.6241 PRESSURE: 4583000 -143.322 213.988 157.982 213.988 285.65 -55.9453 157.983 -55.9465 138.843 GPRESSURE: 4583000 -17.2549 186.986 175.739 139.614 285.591 109.418 230.674 -10.6897 95.1212 PRESSAVG: 4583000 14.4807 33.602 -4.55963 33.6019 -17.024 32.3081 -4.55965 32.3081 1.26149 GPRESSAVG: 4583000 15.4163 31.6981 -3.1433 32.7851 -17.3736 34.1264 -5.7795 30.2447 1.04409 TIMING: 4583000 CPU: 14540.1, 0.0031413/step Wall: 14540.1, 0.0031413/step, 0.363867 hours remaining, 240.867188 MB of memory in use. ENERGY: 4583000 3914.6766 20653.1828 14476.0668 254.9773 -203696.4412 2826.3121 0.0000 0.0000 51934.8533 -109636.3723 298.4703 -161571.2256 -109271.6970 298.8000 93.7238 121.1524 760919.7171 -0.4273 -0.3044 PRESSURE: 4583200 109.691 -271.426 13.0058 -271.427 -15.8016 70.7449 13.0054 70.7452 22.7728 GPRESSURE: 4583200 83.1299 -228.761 -73.2025 -206.187 45.1057 45.0379 -57.2781 66.5715 63.2298 PRESSAVG: 4583200 -13.0855 -21.1389 53.9709 -21.1389 55.0862 24.6906 53.9708 24.6906 15.8077 GPRESSAVG: 4583200 -14.7118 -19.2305 52.4855 -22.8151 56.5697 23.9415 54.4906 26.476 15.8218 TIMING: 4583200 CPU: 14540.7, 0.0031745/step Wall: 14540.7, 0.0031745/step, 0.367536 hours remaining, 240.867188 MB of memory in use. ENERGY: 4583200 3906.8409 20663.4254 14542.1038 245.6413 -203257.7464 2521.2707 0.0000 0.0000 51940.8993 -109437.5651 298.5051 -161378.4644 -109077.3814 298.8688 38.8874 63.8218 762438.5335 19.2695 19.2266 PRESSURE: 4583400 58.7783 60.6864 301.477 60.6864 -56.8591 12.5762 301.476 12.5758 -52.5527 GPRESSURE: 4583400 111.543 84.1221 298.049 112.961 -52.4549 -44.3504 204.095 -56.7549 -32.8093 PRESSAVG: 4583400 5.08714 -20.9273 2.58754 -20.9273 28.9463 21.2529 2.5876 21.2529 -3.20102 GPRESSAVG: 4583400 5.61616 -19.8655 3.31186 -19.1609 27.9655 18.355 2.73065 19.8571 -2.98855 TIMING: 4583400 CPU: 14541.4, 0.00315203/step Wall: 14541.4, 0.00315203/step, 0.36476 hours remaining, 240.867188 MB of memory in use. ENERGY: 4583400 4044.3684 20428.8715 14458.6520 246.7477 -203371.8833 2532.6897 0.0000 0.0000 52118.6637 -109541.8903 299.5267 -161660.5540 -109177.0956 299.4058 -16.8778 8.7596 761583.9822 10.2775 10.1977 PRESSURE: 4583600 -37.8163 -128.18 -93.8762 -128.18 103.909 75.0686 -93.8759 75.0691 22.974 GPRESSURE: 4583600 -97.3248 -221.566 -89.4499 -161.773 238.627 61.5791 -168.461 36.1833 72.7072 PRESSAVG: 4583600 -15.392 -28.1534 5.52858 -28.1533 26.4082 49.1968 5.52863 49.1968 -1.4272 GPRESSAVG: 4583600 -15.4785 -30.2403 5.23772 -28.3569 27.3044 50.8366 7.70826 50.7386 -2.09231 TIMING: 4583600 CPU: 14542, 0.00315981/step Wall: 14542, 0.00315981/step, 0.365485 hours remaining, 240.867188 MB of memory in use. ENERGY: 4583600 4026.9486 20646.0503 14437.7965 250.1580 -203779.5101 2948.1974 0.0000 0.0000 51995.7945 -109474.5650 298.8205 -161470.3594 -109122.0090 298.9056 29.6891 71.3365 760881.6263 3.1963 3.2445 PRESSURE: 4583800 -202.653 97.0534 95.779 97.054 -264.841 -77.0435 95.7788 -77.043 271.332 GPRESSURE: 4583800 -160.423 105.125 -12.5252 120.696 -258.263 -85.3037 -88.64 -94.8455 312.363 PRESSAVG: 4583800 -20.4067 0.308678 24.5124 0.308696 10.7994 23.9006 24.5124 23.9007 -1.90193 GPRESSAVG: 4583800 -20.7629 0.498931 24.7732 -0.359754 11.0937 23.6141 21.3432 23.6667 -1.61725 TIMING: 4583800 CPU: 14542.6, 0.00314775/step Wall: 14542.6, 0.00314775/step, 0.363914 hours remaining, 240.867188 MB of memory in use. ENERGY: 4583800 4011.3254 20473.9544 14534.8054 232.5014 -203497.7464 2521.2521 0.0000 0.0000 52218.6964 -109505.2112 300.1016 -161723.9076 -109139.0550 299.0122 -65.3871 -35.4412 762267.3613 -3.8364 -3.7621 PRESSURE: 4584000 -275.399 39.6973 74.7017 39.6973 7.05452 239.035 74.7023 239.034 -152.354 GPRESSURE: 4584000 -285.54 139.796 68.4101 -1.45967 40.1869 358.468 142.346 141.133 -106.106 PRESSAVG: 4584000 -54.5257 11.2349 -37.1315 11.2349 -4.73357 -6.11626 -37.1314 -6.11617 -16.3939 GPRESSAVG: 4584000 -55.1226 12.6863 -36.0936 10.5853 -6.52965 -5.04634 -35.993 -4.66271 -14.6009 TIMING: 4584000 CPU: 14543.3, 0.00314446/step Wall: 14543.3, 0.00314446/step, 0.36336 hours remaining, 240.867188 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: 4584000 4043.9696 20531.6118 14537.6181 266.2948 -203106.9705 2367.3083 0.0000 0.0000 52167.1350 -109193.0329 299.8052 -161360.1679 -108826.9060 299.7573 -140.2329 -117.1529 761582.4991 -25.2177 -25.4177 PRESSURE: 4584200 240.762 51.5065 -35.7142 51.5063 243.452 47.8329 -35.7132 47.833 233.173 GPRESSURE: 4584200 188.206 51.2737 -22.2532 -4.67456 369.677 48.1329 -30.1838 -1.87275 247.008 PRESSAVG: 4584200 -12.0303 -28.3438 -36.9757 -28.3438 57.5399 7.14829 -36.9757 7.14829 -5.53505 GPRESSAVG: 4584200 -12.1491 -27.9929 -36.7134 -27.9394 59.5473 8.39357 -37.4459 4.13327 -7.27352 TIMING: 4584200 CPU: 14543.9, 0.00314197/step Wall: 14543.9, 0.00314197/step, 0.362897 hours remaining, 240.867188 MB of memory in use. ENERGY: 4584200 3934.7694 20631.9507 14440.5774 249.8248 -203168.1843 2539.6171 0.0000 0.0000 52122.1873 -109249.2575 299.5469 -161371.4448 -108885.3536 300.2500 239.1287 268.2974 761943.4554 13.3248 13.3749 LDB: ============= START OF LOAD BALANCING ============== 14556.3 LDB: ============== END OF LOAD BALANCING =============== 14556.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14556.3 LDB: ============= START OF LOAD BALANCING ============== 14556.7 LDB: Largest compute 7031 load 0.033826 is 17.3% of average load 0.195504 LDB: Average compute 0.004388 is 2.2% of average load 0.195504 LDB: TIME 14556.7 LOAD: AVG 0.195504 MAX 0.213291 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 14556.7 LOAD: AVG 0.195504 MAX 0.213291 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: TIME 14556.7 LOAD: AVG 0.195504 MAX 0.213291 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.328 MB LDB: ============== END OF LOAD BALANCING =============== 14556.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14556.7 PRESSURE: 4584400 -327.366 -185.653 -20.9157 -185.653 -0.0299619 -128.073 -20.9153 -128.072 -221.431 GPRESSURE: 4584400 -306.607 -189.192 17.7039 -43.0342 101.423 -108.653 -61.1543 -159.192 -259.703 PRESSAVG: 4584400 10.5878 -20.1885 59.7242 -20.1886 29.4738 16.4415 59.7243 16.4415 -4.91402 GPRESSAVG: 4584400 11.5485 -20.7058 58.0905 -18.6265 27.8563 14.8959 60.7649 20.2445 -4.40686 TIMING: 4584400 CPU: 14544.5, 0.00322338/step Wall: 14544.5, 0.00322338/step, 0.372122 hours remaining, 240.859375 MB of memory in use. ENERGY: 4584400 3925.0263 20439.1537 14489.0819 248.8067 -202731.3735 1992.7960 0.0000 0.0000 52148.1706 -109488.3384 299.6963 -161636.5090 -109119.0753 299.8405 -182.9421 -154.9622 761787.3389 11.7159 11.6660 PRESSURE: 4584600 -34.5266 -57.1368 4.98644 -57.1363 55.9374 315.414 4.98696 315.413 35.1537 GPRESSURE: 4584600 -4.26878 -58.8932 54.5151 -97.3817 91.2199 277.658 177.014 243.365 60.0843 PRESSAVG: 4584600 -37.9103 -34.9748 11.1093 -34.9748 42.2959 -54.3506 11.1094 -54.3506 -0.0692643 GPRESSAVG: 4584600 -38.7986 -36.3615 11.0883 -33.2896 43.5277 -54.4434 10.4807 -54.5782 -0.384288 TIMING: 4584600 CPU: 14545.2, 0.00315291/step Wall: 14545.2, 0.00315291/step, 0.363811 hours remaining, 240.859375 MB of memory in use. ENERGY: 4584600 4046.6592 20533.0514 14372.6672 245.2144 -203515.4897 2896.0869 0.0000 0.0000 52093.6129 -109328.1977 299.3827 -161421.8106 -108975.4213 299.2753 18.8549 49.0118 762092.5545 1.4388 1.4483 PRESSURE: 4584800 238.451 2.26668 -107.953 2.26672 140.148 186.529 -107.952 186.53 43.7977 GPRESSURE: 4584800 198.54 -20.717 -41.9586 -14.2644 158.558 174.031 -20.2536 172.376 140.005 PRESSAVG: 4584800 -23.9762 38.2417 23.8109 38.2417 -1.5673 -12.241 23.811 -12.241 -10.4132 GPRESSAVG: 4584800 -24.2941 39.101 24.3929 34.5565 -3.22582 -12.0833 23.3987 -15.3407 -8.80455 TIMING: 4584800 CPU: 14545.8, 0.00313872/step Wall: 14545.8, 0.00313872/step, 0.362 hours remaining, 240.859375 MB of memory in use. ENERGY: 4584800 3939.4013 20786.9659 14479.4567 255.0816 -203484.4421 2739.8655 0.0000 0.0000 51927.7069 -109355.9642 298.4292 -161283.6710 -109002.4656 299.6967 140.7988 165.7012 762606.2498 -11.9856 -12.1082 PRESSURE: 4585000 59.7203 44.6131 260.56 44.6116 -326.392 -110.243 260.56 -110.243 -34.9865 GPRESSURE: 4585000 45.0456 90.9075 249.347 15.815 -222.044 -169.853 141.543 -71.23 -47.7369 PRESSAVG: 4585000 4.69418 4.52487 0.802665 4.52486 -29.9958 -42.5712 0.802719 -42.5712 -3.67357 GPRESSAVG: 4585000 4.81844 3.34992 2.88378 6.6259 -29.6079 -41.4311 -1.73778 -42.8534 -4.60295 TIMING: 4585000 CPU: 14546.4, 0.00314472/step Wall: 14546.4, 0.00314472/step, 0.362516 hours remaining, 240.859375 MB of memory in use. ENERGY: 4585000 3994.3062 20552.0475 14462.9942 274.2264 -203281.6559 2554.1607 0.0000 0.0000 52162.9322 -109280.9887 299.7811 -161443.9209 -108909.4785 299.4965 -100.5526 -74.9119 762859.5208 -9.6584 -9.7975 PRESSURE: 4585200 -110.46 -25.0945 237.836 -25.0938 95.1921 -95.5775 237.835 -95.5783 376.341 GPRESSURE: 4585200 -64.8373 26.0199 287.129 13.571 141.727 -89.4417 227.624 -142.235 363.508 PRESSAVG: 4585200 -9.59754 25.9388 36.3809 25.9387 -19.3273 1.00954 36.3808 1.0095 6.41046 GPRESSAVG: 4585200 -9.47417 28.1085 34.1429 26.6441 -19.3317 0.477723 38.2696 -0.18786 6.03351 TIMING: 4585200 CPU: 14547.1, 0.00315736/step Wall: 14547.1, 0.00315736/step, 0.363798 hours remaining, 240.859375 MB of memory in use. ENERGY: 4585200 4007.8805 20451.3095 14371.0514 246.0810 -203088.2041 2494.5343 0.0000 0.0000 52135.4014 -109381.9460 299.6229 -161517.3474 -109008.5850 299.0011 120.3577 146.7993 764670.7779 -7.5048 -7.5908 PRESSURE: 4585400 28.2878 48.5655 23.3403 48.5646 -88.7825 -69.6929 23.3405 -69.6928 -197.349 GPRESSURE: 4585400 64.4387 -118.155 -25.5983 57.3606 -73.876 -67.6012 -94.2867 -20.8478 -174.045 PRESSAVG: 4585400 -47.2404 5.97053 -31.0341 5.97057 11.6946 -22.561 -31.0341 -22.5611 0.438284 GPRESSAVG: 4585400 -47.1498 2.85237 -30.6372 5.96515 12.8281 -22.9791 -31.7381 -19.066 0.317993 TIMING: 4585400 CPU: 14547.7, 0.00315636/step Wall: 14547.7, 0.00315636/step, 0.363508 hours remaining, 240.859375 MB of memory in use. ENERGY: 4585400 3971.9301 20556.0251 14491.4423 263.9144 -203232.0051 2616.2880 0.0000 0.0000 51946.3782 -109386.0270 298.5365 -161332.4052 -109038.1267 299.5318 -85.9478 -61.1606 762813.8616 -11.7025 -11.3346 PRESSURE: 4585600 84.2482 3.13266 -2.12856 3.13202 -190.049 268.021 -2.12829 268.021 -155.121 GPRESSURE: 4585600 42.5278 -54.0545 43.172 34.0245 -104.047 299.372 28.5577 296.121 -102.331 PRESSAVG: 4585600 50.9978 8.15743 -48.3373 8.15748 -23.2636 15.4309 -48.3373 15.431 9.62183 GPRESSAVG: 4585600 51.0737 10.119 -48.174 7.21957 -24.6626 16.7507 -48.2645 13.8533 10.678 TIMING: 4585600 CPU: 14548.3, 0.00316236/step Wall: 14548.3, 0.00316236/step, 0.364023 hours remaining, 240.859375 MB of memory in use. ENERGY: 4585600 4030.0396 20446.5428 14462.8527 258.8047 -203173.6786 2587.3628 0.0000 0.0000 51878.3274 -109509.7487 298.1455 -161388.0760 -109156.8342 298.5655 -86.9740 -54.6166 762330.2173 12.4520 12.3630 PRESSURE: 4585800 -18.132 -211.921 -115.528 -211.922 322.431 116.43 -115.528 116.429 -287.704 GPRESSURE: 4585800 33.0363 -235.787 -31.1313 -249.574 327.477 158.58 -119.748 105.867 -259.924 PRESSAVG: 4585800 -41.2708 -30.0524 5.34203 -30.0524 21.7625 11.9336 5.34207 11.9337 1.63546 GPRESSAVG: 4585800 -41.7872 -30.6963 5.54593 -30.4581 23.0952 11.0164 5.12699 12.5964 1.10833 TIMING: 4585800 CPU: 14549, 0.00315764/step Wall: 14549, 0.00315764/step, 0.363304 hours remaining, 240.859375 MB of memory in use. ENERGY: 4585800 3979.9039 20392.1149 14412.0303 268.2809 -203277.2388 2689.8911 0.0000 0.0000 52040.4328 -109494.5848 299.0771 -161535.0177 -109131.7899 299.2823 5.5316 33.5298 762273.4054 -5.9576 -5.8612 PRESSURE: 4586000 -134.083 -309.761 -116.035 -309.762 29.9154 -134.624 -116.035 -134.623 -483.817 GPRESSURE: 4586000 45.9512 -297.611 -99.1131 -255.583 -102.132 -181.862 -45.5193 -161.442 -451.155 PRESSAVG: 4586000 33.585 45.7402 32.1813 45.7402 -74.3557 -9.0964 32.1812 -9.09638 -20.0154 GPRESSAVG: 4586000 33.8585 47.2671 31.2824 45.5208 -74.8422 -8.77259 34.8815 -8.71128 -19.8534 TIMING: 4586000 CPU: 14549.6, 0.00313308/step Wall: 14549.6, 0.00313308/step, 0.360304 hours remaining, 240.859375 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: 4586000 3951.0240 20498.7533 14390.1397 253.2706 -203133.8550 2427.3935 0.0000 0.0000 52102.0590 -109511.2149 299.4312 -161613.2739 -109162.7203 299.2967 -195.9950 -169.1120 761087.2657 -20.2620 -20.2791 PRESSURE: 4586200 191.887 -245.56 -25.8615 -245.56 36.3206 -64.2174 -25.8618 -64.218 73.6391 GPRESSURE: 4586200 219.606 -223.156 9.52337 -166.106 101.095 -62.0192 32.5401 -159.407 45.8129 PRESSAVG: 4586200 -9.00534 -6.05379 45.7328 -6.05378 -27.4984 38.8137 45.7328 38.8137 -2.65864 GPRESSAVG: 4586200 -8.52126 -6.02061 45.9142 -7.02332 -29.0403 35.6327 46.4647 38.9635 -2.2321 TIMING: 4586200 CPU: 14550.2, 0.00314381/step Wall: 14550.2, 0.00314381/step, 0.361363 hours remaining, 240.859375 MB of memory in use. ENERGY: 4586200 3902.5568 20625.3778 14416.6050 243.0659 -203529.2656 2762.1980 0.0000 0.0000 52054.5080 -109524.9541 299.1580 -161579.4621 -109174.7772 299.1467 100.6157 122.1713 760528.1396 -13.0541 -13.2645 PRESSURE: 4586400 -254.836 208.6 94.3951 208.6 -87.8491 -27.6785 94.3958 -27.6785 -298.241 GPRESSURE: 4586400 -235.4 162.686 35.2917 181.829 15.4718 74.821 100.439 76.3359 -330.34 PRESSAVG: 4586400 -15.1515 35.5569 19.9497 35.5569 12.3132 -11.767 19.9497 -11.767 24.7034 GPRESSAVG: 4586400 -16.2354 36.7117 18.0468 35.6136 14.068 -8.83259 18.508 -11.5222 23.9709 TIMING: 4586400 CPU: 14550.8, 0.00314166/step Wall: 14550.8, 0.00314166/step, 0.360941 hours remaining, 240.859375 MB of memory in use. ENERGY: 4586400 3956.5627 20587.5887 14453.8696 239.7428 -202721.1536 2119.9070 0.0000 0.0000 51896.3640 -109467.1189 298.2491 -161363.4829 -109099.5759 298.9671 -213.6422 -183.4227 760449.3447 7.2884 7.2678 PRESSURE: 4586600 -318.914 210.441 4.48419 210.441 -412.916 -200.642 4.48394 -200.642 -83.3441 GPRESSURE: 4586600 -217.682 171.044 -36.7885 100.162 -446.391 -222.516 -8.90313 -195.094 -54.5461 PRESSAVG: 4586600 56.544 26.3164 14.7353 26.3164 -34.5619 -10.1396 14.7354 -10.1397 -20.4428 GPRESSAVG: 4586600 56.7684 23.8149 16.1746 26.2625 -35.4759 -8.96676 13.347 -9.994 -19.6246 TIMING: 4586600 CPU: 14551.5, 0.00314146/step Wall: 14551.5, 0.00314146/step, 0.360744 hours remaining, 240.859375 MB of memory in use. ENERGY: 4586600 4044.8673 20507.0891 14467.9845 265.7186 -203250.4723 2399.7778 0.0000 0.0000 52171.9244 -109393.1106 299.8328 -161565.0351 -109032.8344 299.0985 -271.7245 -239.5396 759248.3720 0.5131 0.5559 PRESSURE: 4586800 -159.848 156.54 -6.12107 156.54 -222.887 16.6136 -6.12154 16.6146 -255.164 GPRESSURE: 4586800 -203.707 190.868 25.9632 53.0466 -95.3047 -44.1161 -47.0077 -76.1722 -270.64 PRESSAVG: 4586800 0.346818 7.47611 -10.3426 7.47608 -8.08654 -52.6604 -10.3427 -52.6603 10.4 GPRESSAVG: 4586800 1.33161 6.65241 -9.9584 8.17633 -8.08429 -52.592 -10.0768 -53.5555 8.96747 TIMING: 4586800 CPU: 14552.1, 0.00314992/step Wall: 14552.1, 0.00314992/step, 0.36154 hours remaining, 240.859375 MB of memory in use. ENERGY: 4586800 4017.3831 20600.9841 14392.1821 287.4076 -203138.9498 2516.6450 0.0000 0.0000 52088.0388 -109236.3092 299.3507 -161324.3480 -108871.8066 299.5876 -212.6328 -189.8838 761730.0879 0.8868 0.7383 PRESSURE: 4587000 288.422 -161.609 32.281 -161.609 24.0089 -9.44087 32.2823 -9.44193 214.368 GPRESSURE: 4587000 284.398 -27.4545 72.1524 -41.1238 72.253 -55.7206 25.0294 -74.7844 260.715 PRESSAVG: 4587000 23.1693 -5.33958 -27.7237 -5.33956 -25.3859 -6.73066 -27.7237 -6.73066 14.5376 GPRESSAVG: 4587000 21.856 -4.83515 -28.0816 -3.43065 -24.5757 -7.38255 -26.6301 -7.46704 15.0934 TIMING: 4587000 CPU: 14552.7, 0.00312466/step Wall: 14552.7, 0.00312466/step, 0.358468 hours remaining, 240.859375 MB of memory in use. ENERGY: 4587000 3983.5629 20494.3872 14463.0476 234.9279 -203509.9520 2810.8677 0.0000 0.0000 52162.5928 -109360.5659 299.7791 -161523.1588 -109002.5351 299.6531 175.5997 205.7887 760065.5598 4.1070 4.1246 PRESSURE: 4587200 -84.2463 91.4773 -42.9551 91.4777 1.45738 87.4443 -42.9549 87.4447 257.671 GPRESSURE: 4587200 -79.6117 93.154 11.8109 -52.3401 79.6025 135.35 -81.7506 75.8566 262.65 PRESSAVG: 4587200 -3.04098 20.9911 -8.54597 20.9911 0.752531 -23.9733 -8.54592 -23.9733 1.13056 GPRESSAVG: 4587200 -1.95332 24.353 -8.59407 19.1247 -0.0731127 -23.5614 -9.21477 -23.5975 0.536475 TIMING: 4587200 CPU: 14553.3, 0.00312535/step Wall: 14553.3, 0.00312535/step, 0.358374 hours remaining, 240.859375 MB of memory in use. ENERGY: 4587200 4014.1285 20527.7384 14519.8689 239.0555 -203345.1204 2658.1827 0.0000 0.0000 52052.5909 -109333.5555 299.1470 -161386.1464 -108975.9324 299.6034 58.2941 87.5469 759861.1733 -0.3860 -0.4967 PRESSURE: 4587400 -299.307 -0.0462068 -61.8062 -0.0470062 -155.079 -238.697 -61.8056 -238.697 308.409 GPRESSURE: 4587400 -213.384 -112.947 -23.0624 -45.9513 -119.81 -217.688 67.9986 -246.782 276.164 PRESSAVG: 4587400 13.6312 -20.2719 62.1223 -20.2719 -49.7903 1.01988 62.1223 1.01992 -8.6641 GPRESSAVG: 4587400 13.5805 -22.9648 61.8802 -19.9944 -49.7444 1.62398 61.895 1.62402 -8.4954 TIMING: 4587400 CPU: 14554, 0.00313192/step Wall: 14554, 0.00313192/step, 0.358953 hours remaining, 240.859375 MB of memory in use. ENERGY: 4587400 4026.0324 20601.4032 14436.3884 255.1930 -202815.3145 2197.0646 0.0000 0.0000 52081.6063 -109217.6267 299.3137 -161299.2330 -108861.8357 300.1047 -48.6592 -19.0099 762075.7594 -14.9411 -14.8864 PRESSURE: 4587600 243.74 -13.9882 86.9007 -13.9876 190.648 -166.502 86.9009 -166.502 49.0361 GPRESSURE: 4587600 310.46 91.3794 54.4122 -104.898 145.427 -126.721 -3.23135 -144.915 107.044 PRESSAVG: 4587600 -20.2544 -9.60926 31.7194 -9.60924 28.2129 -21.7285 31.7194 -21.7285 -13.5392 GPRESSAVG: 4587600 -21.5785 -7.16924 32.5375 -11.5044 28.745 -22.5965 32.7732 -20.4499 -13.5643 TIMING: 4587600 CPU: 14554.6, 0.00313531/step Wall: 14554.6, 0.00313531/step, 0.359167 hours remaining, 240.859375 MB of memory in use. ENERGY: 4587600 4008.6377 20435.4510 14437.7388 266.8028 -203281.5478 2451.1414 0.0000 0.0000 52331.9365 -109349.8395 300.7524 -161681.7760 -108988.7162 300.3320 161.1413 187.6438 760375.5197 -1.8602 -2.1326 PRESSURE: 4587800 -174.391 -176.303 26.2059 -176.303 -70.8373 74.7308 26.2058 74.7303 218.008 GPRESSURE: 4587800 -156.359 -136.494 59.5588 -105.24 57.7629 111.709 -0.148491 48.4847 171.259 PRESSAVG: 4587800 -9.83206 -8.61863 -30.7419 -8.61863 30.7374 -31.1782 -30.7418 -31.1783 -4.14789 GPRESSAVG: 4587800 -7.73463 -10.433 -30.3354 -7.03598 30.1478 -30.3453 -31.4259 -32.571 -5.83114 TIMING: 4587800 CPU: 14555.2, 0.00314175/step Wall: 14555.2, 0.00314175/step, 0.359731 hours remaining, 240.859375 MB of memory in use. ENERGY: 4587800 3942.7565 20425.6089 14449.4378 259.6996 -202772.6330 2372.7759 0.0000 0.0000 51929.3768 -109392.9776 298.4388 -161322.3544 -109029.9077 299.4649 -9.0734 24.2210 762692.8294 5.5858 5.5274 PRESSURE: 4588000 236.956 197.35 -14.6855 197.351 -201.521 85.3591 -14.6852 85.3593 -393.432 GPRESSURE: 4588000 322.844 170.262 -34.3865 213.46 -183.247 7.14697 -30.7749 153.232 -389.458 PRESSAVG: 4588000 46.5565 48.6693 -2.02905 48.6693 7.90897 4.83687 -2.02907 4.83688 8.02348 GPRESSAVG: 4588000 46.0548 47.6692 -3.44833 50.4754 8.42713 3.68936 -2.19649 4.11795 8.61755 TIMING: 4588000 CPU: 14555.8, 0.0031245/step Wall: 14555.8, 0.0031245/step, 0.357582 hours remaining, 240.859375 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: 4588000 4026.7723 20493.1014 14456.3161 246.1057 -202937.4067 2393.7915 0.0000 0.0000 51994.0996 -109327.2200 298.8108 -161321.3197 -108964.0059 300.0607 -119.3321 -83.2867 761113.0101 20.8296 21.0331 PRESSURE: 4588200 129.383 -171.005 -5.12263 -171.005 -657.822 -49.0572 -5.12272 -49.0561 26.8037 GPRESSURE: 4588200 98.9588 -85.4216 32.6809 -178.659 -476.009 -36.093 -102.17 -35.3422 -55.1001 PRESSAVG: 4588200 20.9053 35.5489 43.3249 35.5489 -20.5871 3.0313 43.3249 3.03129 5.53897 GPRESSAVG: 4588200 20.7517 36.5978 42.8002 33.8732 -20.9329 4.05569 42.9389 3.62855 6.39938 TIMING: 4588200 CPU: 14556.5, 0.0031418/step Wall: 14556.5, 0.0031418/step, 0.359387 hours remaining, 240.859375 MB of memory in use. ENERGY: 4588200 3999.2061 20575.6660 14485.6374 246.4264 -202771.8525 2168.3862 0.0000 0.0000 51947.8829 -109348.6476 298.5452 -161296.5304 -108986.8348 299.7603 -167.2120 -144.0502 761805.0216 1.9524 2.0728 LDB: ============= START OF LOAD BALANCING ============== 14568.9 LDB: ============== END OF LOAD BALANCING =============== 14568.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14568.9 LDB: ============= START OF LOAD BALANCING ============== 14569.2 LDB: Largest compute 7077 load 0.033448 is 17.1% of average load 0.195520 LDB: Average compute 0.004379 is 2.2% of average load 0.195520 LDB: TIME 14569.2 LOAD: AVG 0.19552 MAX 0.213638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.812 MB LDB: TIME 14569.2 LOAD: AVG 0.19552 MAX 0.213638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: TIME 14569.2 LOAD: AVG 0.19552 MAX 0.213638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.816 MB LDB: ============== END OF LOAD BALANCING =============== 14569.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14569.3 PRESSURE: 4588400 57.7929 50.0249 -69.8314 50.024 490.197 -10.0555 -69.8327 -10.0548 82.9427 GPRESSURE: 4588400 113.584 17.8376 -125.205 210.6 464.631 25.2299 46.2831 -114.717 146.553 PRESSAVG: 4588400 -22.2198 12.1531 21.6666 12.1531 6.60017 -17.5859 21.6666 -17.586 10.4025 GPRESSAVG: 4588400 -22.7788 12.3823 22.5971 13.0573 6.90599 -17.2694 23.8167 -17.3384 9.90593 TIMING: 4588400 CPU: 14557.1, 0.00320795/step Wall: 14557.1, 0.00320795/step, 0.366776 hours remaining, 241.578125 MB of memory in use. ENERGY: 4588400 3903.3546 20439.3773 14467.1399 250.3199 -202921.1908 2444.3087 0.0000 0.0000 52179.0676 -109237.6228 299.8738 -161416.6904 -108872.9184 299.8964 210.3108 241.5892 761246.4521 -1.7390 -1.9890 PRESSURE: 4588600 257.673 91.2078 -80.3091 91.2074 92.379 156.027 -80.3084 156.027 -266.168 GPRESSURE: 4588600 281.711 208.764 -185.83 99.6551 120.274 222.465 -74.6325 94.0507 -232.098 PRESSAVG: 4588600 -54.4728 65.2723 14.6305 65.2724 65.6868 -7.02931 14.6305 -7.02929 14.6993 GPRESSAVG: 4588600 -52.9295 65.09 14.7364 63.6878 64.2256 -6.80309 12.5694 -7.08317 15.2245 TIMING: 4588600 CPU: 14557.7, 0.0031411/step Wall: 14557.7, 0.0031411/step, 0.358958 hours remaining, 241.578125 MB of memory in use. ENERGY: 4588600 4032.0603 20442.1334 14429.9480 249.6390 -203675.2891 3084.7735 0.0000 0.0000 51967.5390 -109469.1960 298.6582 -161436.7351 -109108.3579 299.9852 27.9614 56.6292 760637.9249 8.6378 8.8402 PRESSURE: 4588800 -283.589 -39.8356 -115.217 -39.836 -232.184 -159.647 -115.217 -159.646 -339.922 GPRESSURE: 4588800 -282.443 89.1694 -58.9302 6.52133 -210.336 -72.7087 -115.893 -143.39 -282.664 PRESSAVG: 4588800 39.3087 -14.3258 -6.63807 -14.3258 -37.9041 -9.96121 -6.63803 -9.96123 -3.82913 GPRESSAVG: 4588800 38.1107 -16.8941 -6.85605 -11.6267 -36.4159 -10.1871 -6.49217 -11.9385 -4.03412 TIMING: 4588800 CPU: 14558.4, 0.00313326/step Wall: 14558.4, 0.00313326/step, 0.357888 hours remaining, 241.578125 MB of memory in use. ENERGY: 4588800 3935.3219 20267.3813 14410.3598 267.0090 -203135.6618 2411.5077 0.0000 0.0000 52360.4196 -109483.6626 300.9161 -161844.0822 -109117.5193 299.3068 -285.2315 -258.4809 760681.9865 -0.8082 -0.7798 PRESSURE: 4589000 -20.8065 45.3924 -83.6208 45.3925 506.945 -162.688 -83.6219 -162.688 -184.82 GPRESSURE: 4589000 18.9159 -89.2607 -34.6247 83.2701 517.872 -167.776 -42.7714 23.3195 -164.031 PRESSAVG: 4589000 -2.49597 -7.57167 18.5546 -7.57167 -18.073 6.95234 18.5546 6.95227 23.2918 GPRESSAVG: 4589000 -3.63317 -5.48597 18.1957 -8.20216 -17.8106 5.86403 17.68 9.3004 24.2231 TIMING: 4589000 CPU: 14559, 0.00315394/step Wall: 14559, 0.00315394/step, 0.360075 hours remaining, 241.578125 MB of memory in use. ENERGY: 4589000 3968.7985 20484.4741 14463.9149 247.4506 -203225.4076 2436.2012 0.0000 0.0000 51900.2173 -109724.3511 298.2713 -161624.5684 -109356.0629 299.2732 100.4394 124.2523 760372.7892 0.9076 0.9264 PRESSURE: 4589200 97.683 -19.4757 116.979 -19.476 130.236 -13.7549 116.979 -13.7552 -178.593 GPRESSURE: 4589200 231.588 -47.1566 46.7268 -41.6365 92.0961 -40.2341 63.0695 -35.822 -179.065 PRESSAVG: 4589200 -11.6343 9.625 33.6296 9.62497 56.6036 -22.3726 33.6297 -22.3726 14.6196 GPRESSAVG: 4589200 -9.95319 8.75959 34.3458 9.97365 56.5531 -22.5036 35.1619 -21.7389 13.1335 TIMING: 4589200 CPU: 14559.6, 0.00315321/step Wall: 14559.6, 0.00315321/step, 0.359816 hours remaining, 241.578125 MB of memory in use. ENERGY: 4589200 3896.4459 20423.5845 14400.6017 262.0581 -203286.8741 2579.1681 0.0000 0.0000 51740.3515 -109984.6643 297.3525 -161725.0158 -109624.1379 298.7549 16.4419 48.2066 760406.5322 19.8630 19.9111 PRESSURE: 4589400 336.659 141.116 107.797 141.117 -62.5733 143.895 107.797 143.895 196.55 GPRESSURE: 4589400 348.599 132.474 88.1318 92.2842 19.681 198.393 -33.8981 132.641 190.204 PRESSAVG: 4589400 61.3972 37.5556 -21.818 37.5557 -14.8296 34.0847 -21.818 34.0847 -4.70951 GPRESSAVG: 4589400 59.6092 37.3101 -21.1551 36.814 -15.1479 34.1258 -21.2934 33.2703 -3.19369 TIMING: 4589400 CPU: 14560.3, 0.00314043/step Wall: 14560.3, 0.00314043/step, 0.358184 hours remaining, 241.578125 MB of memory in use. ENERGY: 4589400 4039.1097 20455.3263 14335.7510 237.9804 -203575.8898 2765.3665 0.0000 0.0000 52007.5116 -109734.8444 298.8879 -161742.3560 -109377.1239 298.6038 156.8788 186.1611 760101.8433 13.9527 13.7559 PRESSURE: 4589600 422.04 174.341 290.24 174.34 9.8875 119.762 290.24 119.762 -150.898 GPRESSURE: 4589600 377.033 181.883 340.788 131.01 130.412 133.084 221.01 71.2655 -140.621 PRESSAVG: 4589600 26.5652 44.0857 -11.648 44.0857 -11.4377 34.2621 -11.6479 34.2621 20.4659 GPRESSAVG: 4589600 26.1499 45.5028 -11.6369 43.5459 -10.8191 35.1149 -15.4489 34.2339 20.2056 TIMING: 4589600 CPU: 14560.9, 0.0031374/step Wall: 14560.9, 0.0031374/step, 0.357664 hours remaining, 241.578125 MB of memory in use. ENERGY: 4589600 3965.8948 20498.0298 14379.6397 251.2744 -203912.5457 2883.0535 0.0000 0.0000 52091.0609 -109843.5925 299.3680 -161934.6534 -109491.2829 299.1692 93.6768 122.2743 760052.4549 11.8645 11.8455 PRESSURE: 4589800 75.8626 -19.7417 -74.11 -19.7423 196.387 -134.875 -74.1095 -134.875 -46.0247 GPRESSURE: 4589800 92.9318 26.3319 -23.4995 0.571051 145.703 -172.158 -98.2377 -25.8236 49.5954 PRESSAVG: 4589800 25.5618 -9.6692 10.7836 -9.66919 -28.796 38.7345 10.7836 38.7344 -6.39757 GPRESSAVG: 4589800 25.8211 -10.3463 9.324 -8.43747 -28.9325 38.9398 14.7 38.831 -6.30545 TIMING: 4589800 CPU: 14561.5, 0.00316098/step Wall: 14561.5, 0.00316098/step, 0.360176 hours remaining, 241.578125 MB of memory in use. ENERGY: 4589800 3949.5648 20395.8929 14390.3961 252.3656 -203217.9241 2393.7621 0.0000 0.0000 51911.0672 -109924.8753 298.3336 -161835.9425 -109571.7579 298.5771 75.4083 96.0766 760324.9779 -3.2106 -3.1390 PRESSURE: 4590000 -137.721 36.9336 -129.439 36.9333 396.918 11.8405 -129.439 11.8396 -87.6373 GPRESSURE: 4590000 -37.0351 -27.8193 -220.921 94.6864 376.251 -23.4947 -6.15416 17.8495 -109.6 PRESSAVG: 4590000 67.1049 -35.4806 -21.1519 -35.4806 -21.4757 11.7757 -21.1518 11.7758 -12.7568 GPRESSAVG: 4590000 66.8014 -36.358 -21.2643 -35.8868 -20.4672 11.1086 -21.3032 11.4104 -13.1459 TIMING: 4590000 CPU: 14562.2, 0.00315046/step Wall: 14562.2, 0.00315046/step, 0.358802 hours remaining, 241.578125 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: 4590000 3924.5345 20397.1873 14375.9631 230.2815 -203620.2518 2715.4365 0.0000 0.0000 52016.8193 -109960.0297 298.9414 -161976.8490 -109597.0030 298.7140 57.1864 76.5388 760196.7764 10.9574 11.0628 PRESSURE: 4590200 -185.814 199.067 -14.2533 199.066 -310.353 -49.1756 -14.2532 -49.176 -114.354 GPRESSURE: 4590200 -221.704 185.581 -14.5247 127.034 -218.042 37.2415 74.7606 47.3701 -97.8699 PRESSAVG: 4590200 -10.752 -44.839 -17.5903 -44.839 -33.3508 48.8529 -17.5903 48.8529 17.8089 GPRESSAVG: 4590200 -9.86911 -44.6916 -16.6692 -45.3624 -33.637 48.9727 -18.9349 49.3979 17.2596 TIMING: 4590200 CPU: 14562.8, 0.00313798/step Wall: 14562.8, 0.00313798/step, 0.357206 hours remaining, 241.578125 MB of memory in use. ENERGY: 4590200 3902.7342 20469.2624 14315.1744 236.0504 -203833.1457 2826.5174 0.0000 0.0000 52094.6299 -109988.7770 299.3886 -162083.4069 -109620.0547 298.6650 -203.5071 -179.2052 763469.7440 -8.7646 -8.7488 PRESSURE: 4590400 -190.883 20.6776 -117.576 20.6767 -314.781 66.9413 -117.576 66.9423 -208.036 GPRESSURE: 4590400 -174.391 65.2587 -187.988 37.6677 -252.365 8.29509 -131.968 60.9125 -189.744 PRESSAVG: 4590400 8.50904 51.05 -46.044 51.05 -36.5011 0.0419963 -46.044 0.0419481 2.64106 GPRESSAVG: 4590400 7.61618 53.1605 -47.1227 48.5025 -36.4413 -1.53465 -44.2158 2.17897 3.56631 TIMING: 4590400 CPU: 14563.4, 0.00313098/step Wall: 14563.4, 0.00313098/step, 0.356236 hours remaining, 241.578125 MB of memory in use. ENERGY: 4590400 4012.9247 20302.4222 14408.8090 241.6155 -203432.0520 2523.3775 0.0000 0.0000 52017.5487 -109925.3545 298.9456 -161942.9032 -109563.4212 298.3718 -237.9002 -205.5000 761710.4257 -8.4503 -8.4196 PRESSURE: 4590600 -210.385 132.774 157.085 132.773 -203.846 99.9863 157.085 99.9877 68.1629 GPRESSURE: 4590600 -106.252 59.8379 133.394 93.1276 -230.387 118.677 77.7299 16.2848 74.1426 PRESSAVG: 4590600 -23.6315 25.6162 -8.1562 25.6162 42.8098 -20.7474 -8.15624 -20.7474 43.0262 GPRESSAVG: 4590600 -21.7262 23.1016 -7.62158 29.108 41.394 -19.5361 -10.0739 -20.9944 42.4438 TIMING: 4590600 CPU: 14564, 0.00313239/step Wall: 14564, 0.00313239/step, 0.356223 hours remaining, 241.578125 MB of memory in use. ENERGY: 4590600 3974.2051 20478.1272 14409.4788 254.1139 -203610.5379 2756.7603 0.0000 0.0000 51902.4437 -109835.4089 298.2841 -161737.8527 -109477.2016 298.4885 -115.3559 -87.4991 761759.7184 20.7348 20.7039 PRESSURE: 4590800 -100.59 -251.982 53.8229 -251.982 -149.027 -9.30358 53.8226 -9.30439 -175.405 GPRESSURE: 4590800 -173.351 -347.1 65.0611 -188.408 17.3708 -24.0525 198.089 202.355 -160.336 PRESSAVG: 4590800 -43.6239 -32.6903 7.94542 -32.6902 49.6478 16.1235 7.94536 16.1235 10.6677 GPRESSAVG: 4590800 -44.3829 -31.4648 9.23164 -33.5296 51.0704 16.8476 8.50972 16.7315 9.90658 TIMING: 4590800 CPU: 14564.7, 0.00314087/step Wall: 14564.7, 0.00314087/step, 0.357012 hours remaining, 241.578125 MB of memory in use. ENERGY: 4590800 4049.3059 20435.8605 14384.0441 246.2922 -203307.3731 2314.1103 0.0000 0.0000 51968.2026 -109909.5574 298.6620 -161877.7600 -109541.8143 298.8440 -141.6740 -105.4389 761148.4494 5.5639 5.5314 PRESSURE: 4591000 -98.3528 -93.2015 -210.642 -93.2022 128.951 329.103 -210.641 329.103 -103.439 GPRESSURE: 4591000 -7.54147 -34.9457 -261.986 -4.43266 112.41 316.829 -180.558 102.084 -97.8028 PRESSAVG: 4591000 -8.41926 -92.1037 31.818 -92.1037 2.74861 32.5329 31.8179 32.5329 22.0968 GPRESSAVG: 4591000 -9.692 -93.0309 30.0907 -90.387 3.62751 31.3185 32.0003 29.7013 23.0044 TIMING: 4591000 CPU: 14565.3, 0.00312007/step Wall: 14565.3, 0.00312007/step, 0.354475 hours remaining, 241.578125 MB of memory in use. ENERGY: 4591000 4003.1401 20473.6102 14318.2149 258.0803 -203976.7731 3029.1834 0.0000 0.0000 51993.1955 -109901.3486 298.8056 -161894.5441 -109539.4818 298.6766 -24.2801 2.3553 762196.7102 5.4754 5.6466 PRESSURE: 4591200 223.892 110.039 177.073 110.04 -20.095 -113.261 177.074 -113.261 -253.021 GPRESSURE: 4591200 246.963 148.528 223.29 101.755 63.5596 -234.652 108.82 -54.7167 -280.131 PRESSAVG: 4591200 24.4192 1.59928 7.12053 1.5993 -18.4854 33.4486 7.12054 33.4486 -8.49905 GPRESSAVG: 4591200 25.1277 4.19205 7.83002 -2.05685 -19.2466 34.419 7.59457 32.4094 -8.8751 TIMING: 4591200 CPU: 14565.9, 0.00314288/step Wall: 14565.9, 0.00314288/step, 0.356891 hours remaining, 241.578125 MB of memory in use. ENERGY: 4591200 3918.9419 20470.8600 14420.8620 251.6562 -203712.7277 2654.0628 0.0000 0.0000 52029.8311 -109966.5135 299.0162 -161996.3447 -109590.1875 298.6268 -16.4081 10.1306 761388.2093 -0.8551 -0.9980 PRESSURE: 4591400 -128.71 -79.4884 -32.981 -79.4872 -192.797 -236.763 -32.9813 -236.763 -266.988 GPRESSURE: 4591400 -116.255 -25.4411 -110.301 -76.3082 -123.999 -141.532 41.3877 -88.0455 -280.156 PRESSAVG: 4591400 -27.0536 26.3464 6.95828 26.3463 49.9971 19.2011 6.9583 19.2011 14.8284 GPRESSAVG: 4591400 -27.5898 25.1092 7.97961 28.785 49.6685 18.0059 4.28775 22.8859 15.7818 TIMING: 4591400 CPU: 14566.5, 0.00312557/step Wall: 14566.5, 0.00312557/step, 0.354752 hours remaining, 241.578125 MB of memory in use. ENERGY: 4591400 3991.5980 20428.8538 14462.0896 248.3445 -203795.7653 2667.7437 0.0000 0.0000 51987.1577 -110009.9779 298.7709 -161997.1356 -109644.2229 298.3959 -196.1650 -173.4701 760682.5813 12.5907 12.6202 PRESSURE: 4591600 134.362 -209.666 -129.034 -209.666 -182.253 -124.851 -129.034 -124.85 111.709 GPRESSURE: 4591600 238.157 -183.71 -79.9719 -39.0597 -165.92 -93.1426 -5.08589 -121.796 88.0869 PRESSAVG: 4591600 6.4857 77.1903 -5.04959 77.1902 4.50844 -54.0691 -5.04954 -54.0691 -1.60077 GPRESSAVG: 4591600 8.35884 77.6843 -7.24267 77.0338 3.49048 -52.465 -2.87869 -54.7628 -2.33451 TIMING: 4591600 CPU: 14567.2, 0.00312975/step Wall: 14567.2, 0.00312975/step, 0.355053 hours remaining, 241.578125 MB of memory in use. ENERGY: 4591600 3910.6082 20368.6385 14395.5978 247.8445 -203838.0745 2735.3470 0.0000 0.0000 52162.6586 -110017.3798 299.7795 -162180.0384 -109651.3299 298.7487 21.2726 53.4416 760631.8173 3.1311 3.1716 PRESSURE: 4591800 251.277 7.66472 -24.4484 7.66479 199.901 -8.49771 -24.448 -8.49766 -35.9346 GPRESSURE: 4591800 236.241 -54.009 -2.13614 16.964 263.609 -11.4026 -4.02617 -59.4028 -2.33445 PRESSAVG: 4591800 -17.0229 36.1002 -14.3884 36.1001 8.52898 1.70786 -14.3884 1.70785 -18.0766 GPRESSAVG: 4591800 -17.9541 33.757 -13.5486 37.8209 9.26235 1.4948 -15.5581 -0.544518 -17.8505 TIMING: 4591800 CPU: 14567.8, 0.00315502/step Wall: 14567.8, 0.00315502/step, 0.357744 hours remaining, 241.578125 MB of memory in use. ENERGY: 4591800 3865.6693 20420.1032 14421.5180 223.3211 -203270.4423 2529.8856 0.0000 0.0000 51864.2913 -109945.6538 298.0648 -161809.9451 -109580.6094 298.4111 138.4147 165.8384 759471.0819 -8.8568 -8.8474 PRESSURE: 4592000 -13.9362 235.091 -157.565 235.089 -36.1354 -111.844 -157.565 -111.844 -312.294 GPRESSURE: 4592000 49.5907 327.808 -148.22 154.12 -31.3766 -145.968 -142.246 -37.6321 -319.821 PRESSAVG: 4592000 42.2819 91.9115 7.6728 91.9115 -21.8708 -9.08668 7.67279 -9.08659 -13.5783 GPRESSAVG: 4592000 42.2131 94.227 6.08956 90.8468 -21.7025 -10.9676 9.50136 -7.91599 -13.6324 TIMING: 4592000 CPU: 14568.4, 0.00315347/step Wall: 14568.4, 0.00315347/step, 0.357393 hours remaining, 241.578125 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: 4592000 3980.5230 20266.3115 14463.9486 249.5723 -203453.5565 2671.9968 0.0000 0.0000 51981.6675 -109839.5369 298.7394 -161821.2044 -109462.9571 298.5620 -120.7887 -100.5357 759817.9895 2.2776 2.2927 PRESSURE: 4592200 246.48 -199.981 -50.9454 -199.98 -88.9112 82.5117 -50.946 82.5112 1.83504 GPRESSURE: 4592200 231.439 -281.067 -27.6401 -98.1518 -56.7198 110.259 -11.7593 -38.1608 53.9196 PRESSAVG: 4592200 -17.6367 33.2794 0.315251 33.2794 -6.84836 22.306 0.315376 22.3061 3.60352 GPRESSAVG: 4592200 -17.7153 31.6763 2.01968 33.7211 -7.05044 24.6172 0.00583602 20.8707 3.78198 TIMING: 4592200 CPU: 14569.1, 0.00315721/step Wall: 14569.1, 0.00315721/step, 0.357641 hours remaining, 241.578125 MB of memory in use. ENERGY: 4592200 3963.4866 20407.0679 14400.3118 256.4256 -203418.3551 2781.3748 0.0000 0.0000 51866.6562 -109743.0324 298.0784 -161609.6885 -109381.2711 298.8054 53.1346 76.2130 759764.7084 -6.9605 -6.9946 LDB: ============= START OF LOAD BALANCING ============== 14581.5 LDB: ============== END OF LOAD BALANCING =============== 14581.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14581.5 LDB: ============= START OF LOAD BALANCING ============== 14581.8 LDB: Largest compute 7060 load 0.034252 is 17.5% of average load 0.195522 LDB: Average compute 0.004372 is 2.2% of average load 0.195522 LDB: TIME 14581.8 LOAD: AVG 0.195522 MAX 0.215371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.934 MB LDB: TIME 14581.8 LOAD: AVG 0.195522 MAX 0.215371 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.934 MB LDB: TIME 14581.8 LOAD: AVG 0.195522 MAX 0.215371 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.934 MB LDB: ============== END OF LOAD BALANCING =============== 14581.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14581.8 PRESSURE: 4592400 144.956 148.061 -95.9444 148.061 87.6754 -33.8857 -95.9454 -33.8856 83.6049 GPRESSURE: 4592400 155.852 181.482 -50.0259 198.692 129.594 -9.54466 -85.0413 -9.33927 86.9657 PRESSAVG: 4592400 37.0528 -0.82301 -59.0939 -0.823004 -7.87994 50.1009 -59.0938 50.101 -11.2677 GPRESSAVG: 4592400 36.3471 0.341926 -57.9296 -1.192 -7.29898 50.7312 -59.416 48.9418 -10.9139 TIMING: 4592400 CPU: 14569.7, 0.00320483/step Wall: 14569.7, 0.00320483/step, 0.362858 hours remaining, 239.972656 MB of memory in use. ENERGY: 4592400 3893.5829 20202.8557 14467.2047 253.9435 -203109.4978 2424.2766 0.0000 0.0000 52228.9940 -109638.6403 300.1607 -161867.6343 -109272.0584 299.3691 105.4121 124.1374 760668.8293 5.9684 6.0448 PRESSURE: 4592600 -269.932 117.397 -128.867 117.396 -159.821 118.712 -128.867 118.713 -101.156 GPRESSURE: 4592600 -118.382 132.494 -76.2495 125.129 -174.498 102.427 -95.7688 120.553 -141.006 PRESSAVG: 4592600 14.7241 24.9156 -36.5657 24.9156 -41.9309 12.0873 -36.5657 12.0873 -1.76604 GPRESSAVG: 4592600 15.6908 25.3546 -36.8776 24.9177 -42.6388 10.9076 -36.0027 15.8346 -1.97444 TIMING: 4592600 CPU: 14570.3, 0.0031432/step Wall: 14570.3, 0.0031432/step, 0.355706 hours remaining, 239.972656 MB of memory in use. ENERGY: 4592600 3941.1524 20254.5334 14467.2547 248.8629 -202935.0412 2245.7028 0.0000 0.0000 52205.9504 -109571.5845 300.0283 -161777.5349 -109203.1301 299.7308 -176.9699 -144.6290 759836.7384 -9.6576 -9.6408 PRESSURE: 4592800 -72.634 -139.985 34.2826 -139.984 -94.0073 -124.915 34.2818 -124.914 -185.453 GPRESSURE: 4592800 -48.156 -65.4702 -5.56754 -152.691 19.3276 -21.9259 188.021 -56.0904 -223.062 PRESSAVG: 4592800 -10.5453 28.337 -27.8416 28.337 -22.6533 2.09934 -27.8416 2.0993 -29.0841 GPRESSAVG: 4592800 -10.7496 28.6393 -29.9918 29.6283 -22.7036 3.79107 -27.0588 0.243451 -28.7957 TIMING: 4592800 CPU: 14571, 0.0031345/step Wall: 14571, 0.0031345/step, 0.354547 hours remaining, 240.230469 MB of memory in use. ENERGY: 4592800 3956.1949 20444.4936 14473.7192 254.8054 -203013.4094 2298.8251 0.0000 0.0000 52118.5977 -109466.7735 299.5263 -161585.3713 -109112.1634 299.0013 -117.3648 -83.9634 762859.1771 -20.7609 -20.7497 PRESSURE: 4593000 -161.282 118.315 212.553 118.314 -47.7943 -19.9188 212.554 -19.9204 490.26 GPRESSURE: 4593000 -125.229 134.605 297.176 78.9535 -70.2391 -9.38365 149.177 -109.721 546.739 PRESSAVG: 4593000 -21.6276 62.0843 32.9654 62.0843 39.9319 -22.5269 32.9654 -22.527 5.584 GPRESSAVG: 4593000 -22.1879 60.7387 33.6972 59.8171 40.999 -23.4397 31.2466 -22.0478 5.13892 TIMING: 4593000 CPU: 14571.6, 0.00315534/step Wall: 14571.6, 0.00315534/step, 0.356729 hours remaining, 240.230469 MB of memory in use. ENERGY: 4593000 3936.2804 20393.0428 14423.9295 237.5838 -203209.9084 2530.6659 0.0000 0.0000 52257.9599 -109430.4461 300.3272 -161688.4061 -109064.5139 299.8123 93.7282 117.0906 761125.6742 7.9628 7.9834 PRESSURE: 4593200 227.523 288.572 -258.289 288.572 7.59097 -201.486 -258.289 -201.487 -169.169 GPRESSURE: 4593200 244.22 272.172 -310.23 289.763 54.9905 -204.557 -173.729 -177.241 -163.904 PRESSAVG: 4593200 -19.8388 -3.80763 -0.870567 -3.80763 -5.38931 1.7422 -0.87059 1.7423 -20.3415 GPRESSAVG: 4593200 -19.7402 -4.90953 -0.352416 -1.57924 -5.50177 1.34605 0.648226 1.53465 -20.5165 TIMING: 4593200 CPU: 14572.2, 0.0031722/step Wall: 14572.2, 0.0031722/step, 0.358458 hours remaining, 240.300781 MB of memory in use. ENERGY: 4593200 4056.5142 20420.4376 14457.8666 270.3222 -203354.5715 2545.9977 0.0000 0.0000 52016.0251 -109587.4080 298.9368 -161603.4331 -109232.6570 299.6560 21.9816 45.1022 760227.1764 -15.1899 -15.2528 PRESSURE: 4593400 -76.6085 -108.195 303.731 -108.195 -301.835 161.242 303.732 161.242 217.624 GPRESSURE: 4593400 -51.4107 -64.9328 296.972 -26.0575 -291.176 127.721 274.021 125.108 287.334 PRESSAVG: 4593400 -42.0054 7.52589 16.8606 7.5259 21.512 22.7074 16.8607 22.7073 -9.31841 GPRESSAVG: 4593400 -41.1991 9.8373 16.8103 6.43041 19.5285 21.7499 17.9604 23.2076 -8.01239 TIMING: 4593400 CPU: 14572.9, 0.00316965/step Wall: 14572.9, 0.00316965/step, 0.357994 hours remaining, 240.300781 MB of memory in use. ENERGY: 4593400 4011.4238 20481.4037 14377.3751 236.5683 -202911.7924 2244.2317 0.0000 0.0000 52097.0070 -109463.7828 299.4022 -161560.7898 -109097.5855 299.5264 -53.6064 -18.4177 761797.5026 -9.9373 -9.8943 PRESSURE: 4593600 208.671 71.3743 101.027 71.374 -215.761 -35.5494 101.028 -35.5489 -80.5324 GPRESSURE: 4593600 234.548 -6.08819 216.687 55.7345 -147.762 -11.1254 3.96397 -67.4281 -96.266 PRESSAVG: 4593600 -10.8844 1.05106 53.7929 1.05106 -13.802 18.561 53.793 18.561 25.2555 GPRESSAVG: 4593600 -10.1253 -0.943268 51.977 0.559279 -12.7683 20.1724 54.3007 15.1265 23.1227 TIMING: 4593600 CPU: 14573.5, 0.00313117/step Wall: 14573.5, 0.00313118/step, 0.353475 hours remaining, 240.300781 MB of memory in use. ENERGY: 4593600 3928.7638 20449.0213 14472.7886 234.2646 -203423.6002 2739.5137 0.0000 0.0000 52055.5882 -109543.6599 299.1642 -161599.2481 -109191.1736 299.5106 -29.2075 -3.1601 762059.9026 0.1897 0.0764 PRESSURE: 4593800 187.055 -48.9608 -215.343 -48.9598 -79.1635 -29.9456 -215.344 -29.9451 22.1058 GPRESSURE: 4593800 185.973 -34.1378 -252.594 -36.471 -11.0444 -1.98904 -221.116 -97.5723 34.183 PRESSAVG: 4593800 30.749 16.6566 -19.5597 16.6565 -7.6278 38.8415 -19.5597 38.8415 7.55267 GPRESSAVG: 4593800 29.9927 16.8567 -17.1017 16.1282 -6.57409 38.9264 -21.8182 41.4138 7.79633 TIMING: 4593800 CPU: 14574.1, 0.00312789/step Wall: 14574.1, 0.00312789/step, 0.35293 hours remaining, 240.300781 MB of memory in use. ENERGY: 4593800 4014.3524 20346.6622 14477.0099 242.2783 -203007.0002 2481.9585 0.0000 0.0000 51971.6495 -109473.0894 298.6818 -161444.7390 -109109.7246 299.5495 43.3324 69.7039 762674.6245 10.2246 10.4050 PRESSURE: 4594000 -27.7248 46.634 53.9581 46.6339 -207.732 117.749 53.9588 117.749 219.868 GPRESSURE: 4594000 -79.2063 7.4823 93.9782 44.0022 -129.494 158.354 -55.7214 15.1825 270.497 PRESSAVG: 4594000 -26.7046 -23.8177 -59.8899 -23.8177 -4.66106 -31.4794 -59.8898 -31.4794 0.854537 GPRESSAVG: 4594000 -27.2723 -24.1339 -60.96 -24.4281 -4.68869 -31.5055 -58.9884 -33.4471 1.02091 TIMING: 4594000 CPU: 14574.7, 0.00313611/step Wall: 14574.7, 0.00313611/step, 0.353684 hours remaining, 240.300781 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: 4594000 4008.7484 20493.3196 14422.4186 255.1205 -203371.3502 2591.6216 0.0000 0.0000 52064.7499 -109535.3715 299.2168 -161600.1214 -109177.1250 299.6753 -5.1962 20.5988 762471.7643 -10.1704 -10.3134 PRESSURE: 4594200 160.878 81.9069 -73.3493 81.9069 35.96 14.84 -73.3488 14.8411 321.512 GPRESSURE: 4594200 201.803 121.87 -119.518 -3.29089 11.5434 -71.5183 -53.1869 9.49098 404.77 PRESSAVG: 4594200 -7.90602 7.83035 -51.272 7.83028 24.8292 -29.4544 -51.2719 -29.4544 4.90683 GPRESSAVG: 4594200 -7.87728 7.89411 -50.7054 9.53224 23.9118 -31.8331 -51.9891 -26.3095 6.16784 TIMING: 4594200 CPU: 14575.4, 0.00314179/step Wall: 14575.4, 0.00314179/step, 0.354149 hours remaining, 240.300781 MB of memory in use. ENERGY: 4594200 3992.6649 20425.7332 14508.7383 257.3984 -203209.6554 2616.1246 0.0000 0.0000 51983.2089 -109425.7871 298.7482 -161408.9960 -109068.5895 299.2960 172.7836 206.0388 761279.0497 7.2767 7.4008 PRESSURE: 4594400 434.436 -38.9271 -83.1565 -38.9264 108.787 103.185 -83.1568 103.185 -36.0169 GPRESSURE: 4594400 356.283 75.7825 -24.6769 -44.9535 311.195 173.812 -53.0412 90.0441 -62.1865 PRESSAVG: 4594400 -2.04813 1.06785 -20.3922 1.06778 2.78634 -30.5779 -20.3922 -30.5779 -25.8866 GPRESSAVG: 4594400 -2.18515 2.97432 -20.338 -1.05509 4.05953 -28.9778 -20.9307 -33.3028 -26.4603 TIMING: 4594400 CPU: 14576, 0.00316496/step Wall: 14576, 0.00316496/step, 0.356585 hours remaining, 240.300781 MB of memory in use. ENERGY: 4594400 4003.9439 20428.4879 14463.4476 234.3589 -204066.0087 2935.6791 0.0000 0.0000 52417.4245 -109582.6667 301.2437 -162000.0912 -109222.4660 299.3769 169.0688 201.7639 760626.1797 -8.3828 -8.1953 PRESSURE: 4594600 349.943 5.7222 1.5188 5.72254 -194.427 -264.949 1.51949 -264.95 24.4654 GPRESSURE: 4594600 362.33 17.9722 67.3588 76.5529 -214.62 -232.301 -21.5083 -330.08 119.847 PRESSAVG: 4594600 34.9875 20.5651 -49.8316 20.5651 -72.8346 6.89185 -49.8316 6.89182 8.38414 GPRESSAVG: 4594600 36.0679 20.8516 -49.8653 20.9362 -75.7325 6.14336 -49.6539 7.59143 9.85062 TIMING: 4594600 CPU: 14576.6, 0.00313768/step Wall: 14576.6, 0.00313767/step, 0.353337 hours remaining, 240.300781 MB of memory in use. ENERGY: 4594600 3955.4451 20461.1206 14491.2978 239.6126 -203140.4308 2388.1069 0.0000 0.0000 51901.2774 -109703.5704 298.2774 -161604.8479 -109349.5019 299.0046 59.9939 89.1855 760505.0866 -9.8210 -9.9380 PRESSURE: 4594800 -79.5681 18.2339 91.4937 18.2336 -70.5801 -11.1726 91.4936 -11.1727 -22.4772 GPRESSURE: 4594800 -21.7515 34.5134 69.5101 -57.4016 -34.0071 -0.742262 127.356 93.887 -24.5276 PRESSAVG: 4594800 42.4352 -19.4556 41.1103 -19.4556 -57.5832 -14.558 41.1102 -14.558 -10.4134 GPRESSAVG: 4594800 41.2315 -19.8734 41.6731 -19.3939 -54.7768 -13.8716 42.2675 -15.09 -11.431 TIMING: 4594800 CPU: 14577.2, 0.00313414/step Wall: 14577.2, 0.00313414/step, 0.352765 hours remaining, 240.300781 MB of memory in use. ENERGY: 4594800 3961.7238 20385.3699 14551.2808 241.0710 -203022.0568 2449.2665 0.0000 0.0000 51879.8206 -109553.5242 298.1540 -161433.3449 -109196.5429 298.3559 -57.5418 -26.7620 762499.2020 -8.5205 -8.3254 PRESSURE: 4595000 496.574 -18.0129 167.55 -18.0132 -54.4959 -107.761 167.551 -107.76 -320.104 GPRESSURE: 4595000 446.676 20.0343 217.94 100.424 45.7586 -150.222 186.123 -87.9982 -271.466 PRESSAVG: 4595000 -2.03704 5.1425 -34.9449 5.1425 22.0801 -10.5042 -34.9448 -10.5042 8.6461 GPRESSAVG: 4595000 -1.05969 6.02712 -34.6119 5.46545 21.4074 -10.7407 -35.5275 -8.61636 8.42587 TIMING: 4595000 CPU: 14577.9, 0.00314991/step Wall: 14577.9, 0.00314991/step, 0.354365 hours remaining, 240.300781 MB of memory in use. ENERGY: 4595000 3919.8905 20504.3637 14476.1373 253.4627 -203697.6464 2812.8727 0.0000 0.0000 52174.5356 -109556.3839 299.8478 -161730.9195 -109200.1456 299.2440 40.6581 73.6562 762286.1447 9.5630 9.5912 PRESSURE: 4595200 -138.483 66.3356 -184.699 66.3353 71.1659 -84.5662 -184.699 -84.5665 -283.141 GPRESSURE: 4595200 -102.851 42.5831 -102.491 156.305 57.9155 -8.02797 -214.345 -154.471 -245.873 PRESSAVG: 4595200 25.2623 23.1916 38.0297 23.1916 -12.9898 7.38285 38.0297 7.38289 14.0478 GPRESSAVG: 4595200 23.9187 22.3312 37.2318 25.2098 -12.7491 8.78069 37.8513 4.39327 14.4695 TIMING: 4595200 CPU: 14578.5, 0.00315066/step Wall: 14578.5, 0.00315066/step, 0.354274 hours remaining, 240.300781 MB of memory in use. ENERGY: 4595200 3965.3847 20561.8867 14511.2812 251.3571 -203469.2991 2499.1951 0.0000 0.0000 52078.0963 -109602.0980 299.2935 -161680.1943 -109250.4913 299.1507 -116.8194 -96.9362 763106.2817 8.7734 8.5464 PRESSURE: 4595400 -256.525 92.4904 -78.1362 92.49 -101.001 -97.1032 -78.1364 -97.1037 -195.208 GPRESSURE: 4595400 -103.79 9.52738 -190.105 72.269 -130.108 -173.356 57.9303 -76.6935 -232.224 PRESSAVG: 4595400 47.4032 20.0656 -22.2321 20.0655 -40.5305 -23.5642 -22.232 -23.5642 -1.00036 GPRESSAVG: 4595400 48.4434 17.5876 -20.95 20.0058 -41.0827 -24.5637 -22.3054 -20.8804 -0.482037 TIMING: 4595400 CPU: 14579.1, 0.00313778/step Wall: 14579.1, 0.00313778/step, 0.352652 hours remaining, 240.300781 MB of memory in use. ENERGY: 4595400 4011.5515 20467.3028 14505.7272 260.1127 -203304.2451 2613.0253 0.0000 0.0000 52156.9614 -109289.5642 299.7468 -161446.5256 -108932.8605 299.9533 -184.2445 -155.3740 763088.8716 1.9575 2.2929 PRESSURE: 4595600 21.9 -57.2964 154.671 -57.2969 114.394 16.1872 154.672 16.1859 243.948 GPRESSURE: 4595600 60.4393 -118.572 145.201 -173.737 121.075 125.565 149.837 11.7801 264.608 PRESSAVG: 4595600 24.0785 34.2013 -31.1114 34.2013 8.61669 8.67497 -31.1114 8.67491 -7.74351 GPRESSAVG: 4595600 23.246 36.4114 -32.2649 32.0634 9.5058 9.76987 -31.4437 8.3418 -6.93983 TIMING: 4595600 CPU: 14579.8, 0.00313272/step Wall: 14579.8, 0.00313272/step, 0.351909 hours remaining, 240.300781 MB of memory in use. ENERGY: 4595600 4002.7027 20580.6017 14571.8958 247.2015 -203572.9468 2693.4376 0.0000 0.0000 52045.9300 -109431.1775 299.1087 -161477.1075 -109076.6743 299.5016 126.7473 148.7075 761923.4669 8.3172 8.6040 PRESSURE: 4595800 82.0469 -56.557 26.8139 -56.5574 129.744 -87.0664 26.8133 -87.0666 83.3871 GPRESSURE: 4595800 208.274 -48.2424 -29.3826 -21.8551 127.364 -76.5278 98.3313 52.731 26.2058 PRESSAVG: 4595800 57.3766 -9.35603 64.0976 -9.35609 -51.0338 55.7405 64.0976 55.7405 25.3897 GPRESSAVG: 4595800 58.8728 -8.65527 64.7299 -9.72219 -51.2778 54.87 62.4922 54.6313 23.3383 TIMING: 4595800 CPU: 14580.4, 0.00314772/step Wall: 14580.4, 0.00314772/step, 0.353419 hours remaining, 240.300781 MB of memory in use. ENERGY: 4595800 4025.7831 20475.6695 14448.6437 262.0639 -203530.6629 2559.2747 0.0000 0.0000 52318.4262 -109440.8016 300.6747 -161759.2279 -109075.8289 299.4865 98.3926 120.6147 760796.2671 10.5775 10.3111 PRESSURE: 4596000 36.6148 -10.7108 -7.13032 -10.7118 -81.4557 253.786 -7.12993 253.785 -94.2087 GPRESSURE: 4596000 107.866 -117.423 29.155 9.61434 -101.21 263.764 -14.1348 276.902 -53.3614 PRESSAVG: 4596000 33.5958 -28.4369 2.32027 -28.4369 -45.1289 -1.54628 2.32032 -1.54625 -12.2771 GPRESSAVG: 4596000 33.3386 -28.9852 1.46194 -27.6899 -46.0041 -1.62591 3.63075 1.35292 -10.6941 TIMING: 4596000 CPU: 14581, 0.00314557/step Wall: 14581, 0.00314557/step, 0.353003 hours remaining, 240.300781 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: 4596000 4023.0217 20447.5423 14497.4130 248.9802 -203257.5894 2462.5745 0.0000 0.0000 52124.3337 -109453.7241 299.5593 -161578.0578 -109097.2261 299.4872 -46.3499 -15.5684 761577.4373 -7.9367 -7.7865 PRESSURE: 4596200 -38.8775 195.498 158.636 195.498 -50.264 193.47 158.636 193.469 -339.206 GPRESSURE: 4596200 22.3751 224.438 175.323 169.202 39.5656 154.699 167.706 10.1 -396.226 PRESSAVG: 4596200 47.7474 45.3507 39.8701 45.3507 -62.7639 14.5074 39.8701 14.5074 5.48633 GPRESSAVG: 4596200 47.8292 43.6859 40.8202 45.2395 -63.099 16.4333 41.226 11.9002 5.31202 TIMING: 4596200 CPU: 14581.6, 0.0031252/step Wall: 14581.6, 0.0031252/step, 0.350543 hours remaining, 240.300781 MB of memory in use. ENERGY: 4596200 4004.6967 20439.2632 14575.6147 244.0046 -203290.6091 2525.1162 0.0000 0.0000 51811.5698 -109690.3438 297.7618 -161501.9136 -109342.4783 298.9430 -142.7827 -111.4286 760859.4920 -3.1767 -3.3192 LDB: ============= START OF LOAD BALANCING ============== 14594.1 LDB: ============== END OF LOAD BALANCING =============== 14594.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14594.1 LDB: ============= START OF LOAD BALANCING ============== 14594.4 LDB: Largest compute 7056 load 0.036416 is 18.6% of average load 0.195514 LDB: Average compute 0.004378 is 2.2% of average load 0.195514 LDB: TIME 14594.4 LOAD: AVG 0.195514 MAX 0.215245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.746 MB LDB: TIME 14594.4 LOAD: AVG 0.195514 MAX 0.215245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.746 MB LDB: TIME 14594.4 LOAD: AVG 0.195514 MAX 0.215245 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.746 MB LDB: ============== END OF LOAD BALANCING =============== 14594.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14594.4 PRESSURE: 4596400 429.986 44.7506 110.368 44.7504 39.4109 98.969 110.367 98.9706 -259.075 GPRESSURE: 4596400 426.986 48.7103 87.005 5.22243 65.061 108.561 67.8889 156.073 -196.309 PRESSAVG: 4596400 46.7401 39.3294 28.9967 39.3294 -55.3838 -3.66852 28.9968 -3.66851 18.4205 GPRESSAVG: 4596400 46.8544 38.6637 28.9977 40.3992 -55.3601 -7.75446 26.5121 -2.42161 17.9709 TIMING: 4596400 CPU: 14582.3, 0.00318472/step Wall: 14582.3, 0.00318473/step, 0.357043 hours remaining, 239.527344 MB of memory in use. ENERGY: 4596400 3902.5992 20576.8493 14537.0397 239.1804 -203911.1769 2919.4444 0.0000 0.0000 51921.2439 -109814.8200 298.3921 -161736.0639 -109451.4022 298.6433 70.1074 98.5794 760691.0277 3.2590 3.1551 PRESSURE: 4596600 115.054 -80.196 9.98563 -80.1952 -215.444 -80.6121 9.98525 -80.6128 -389.039 GPRESSURE: 4596600 53.1056 -2.30646 55.6347 -14.498 -143.733 -116.796 101.466 -93.4012 -303.28 PRESSAVG: 4596600 44.9494 24.5372 -13.0106 24.5373 -38.4307 -52.273 -13.0106 -52.273 5.64556 GPRESSAVG: 4596600 44.6155 26.1596 -14.2486 24.9927 -38.4324 -50.5353 -10.9286 -53.8216 6.07121 TIMING: 4596600 CPU: 14582.9, 0.00313651/step Wall: 14582.9, 0.00313651/step, 0.351464 hours remaining, 239.730469 MB of memory in use. ENERGY: 4596600 3972.6248 20568.1399 14431.5942 249.6520 -203827.7499 2745.3751 0.0000 0.0000 52055.9827 -109804.3812 299.1664 -161860.3639 -109445.6645 298.9779 -163.1430 -131.3024 760175.6332 4.0547 4.0848 PRESSURE: 4596800 137.246 10.4049 -48.5001 10.406 156.192 203.988 -48.5008 203.987 -38.6094 GPRESSURE: 4596800 152.463 32.3755 -76.9635 -61.9292 232.957 262.753 30.6901 175.963 -49.6435 PRESSAVG: 4596800 17.0456 27.4964 29.3472 27.4965 -38.5994 -78.474 29.3471 -78.474 16.8533 GPRESSAVG: 4596800 17.9441 26.9974 29.6507 27.4684 -38.7259 -77.8547 29.0585 -78.3016 16.2645 TIMING: 4596800 CPU: 14583.5, 0.00314924/step Wall: 14583.5, 0.00314924/step, 0.352715 hours remaining, 239.730469 MB of memory in use. ENERGY: 4596800 3949.7561 20547.9187 14452.7195 240.0005 -203650.2827 2603.0575 0.0000 0.0000 52036.1523 -109820.6782 299.0525 -161856.8305 -109461.4926 298.8775 84.9430 111.9256 760019.1026 -1.5669 -1.5058 PRESSURE: 4597000 -70.5489 -141.292 -196.508 -141.292 130.676 -265.22 -196.508 -265.22 -160.708 GPRESSURE: 4597000 -41.8387 -100.973 -140.657 -74.167 71.1571 -210.857 -277.039 -283.858 -37.4123 PRESSAVG: 4597000 -0.385049 -8.65662 -12.0732 -8.65668 18.1988 -14.2236 -12.0732 -14.2236 8.09399 GPRESSAVG: 4597000 -1.47532 -6.48996 -12.1797 -9.01266 18.8956 -16.0321 -11.1902 -14.1908 8.9276 TIMING: 4597000 CPU: 14584.2, 0.00312819/step Wall: 14584.2, 0.00312819/step, 0.350184 hours remaining, 239.730469 MB of memory in use. ENERGY: 4597000 3923.8147 20521.3256 14514.6210 257.1394 -203684.4422 2532.4254 0.0000 0.0000 51961.6094 -109973.5066 298.6241 -161935.1160 -109606.8199 298.8823 -33.5271 -2.6980 760389.0226 8.6359 8.7826 PRESSURE: 4597200 -106.473 -10.7979 -31.0293 -10.7983 -31.7139 228.947 -31.0293 228.946 173.839 GPRESSURE: 4597200 -32.6728 115.416 32.2761 81.3945 57.6491 274.094 21.7858 75.4084 102.36 PRESSAVG: 4597200 36.3779 -27.1642 3.36825 -27.1642 -22.4924 3.94131 3.36824 3.94135 -1.857 GPRESSAVG: 4597200 35.5982 -27.4724 1.86294 -26.559 -21.8508 4.74378 2.47723 4.26061 -2.02128 TIMING: 4597200 CPU: 14584.8, 0.00312265/step Wall: 14584.8, 0.00312265/step, 0.34939 hours remaining, 239.730469 MB of memory in use. ENERGY: 4597200 4038.6485 20553.2890 14487.9990 219.7140 -203873.8386 2760.7743 0.0000 0.0000 52066.6124 -109746.8014 299.2275 -161813.4137 -109377.4353 298.7001 11.8843 42.4453 760593.6028 4.0095 3.9087 PRESSURE: 4597400 352.413 168.845 22.4897 168.845 272.424 -46.4725 22.4903 -46.4745 232.364 GPRESSURE: 4597400 407.554 229.468 11.8129 115.511 210.5 23.9096 73.72 -1.98018 328.693 PRESSAVG: 4597400 69.1354 11.1508 11.7155 11.1508 -45.4862 -18.1082 11.7155 -18.1082 -13.4228 GPRESSAVG: 4597400 68.8531 12.1899 13.9547 10.7164 -46.3279 -17.7126 12.3659 -17.2321 -12.3552 TIMING: 4597400 CPU: 14585.4, 0.00315898/step Wall: 14585.4, 0.00315898/step, 0.353279 hours remaining, 239.730469 MB of memory in use. ENERGY: 4597400 3978.3540 20745.3752 14547.4624 244.2478 -204129.6829 2971.6607 0.0000 0.0000 51891.2206 -109751.3621 298.2196 -161642.5827 -109394.8605 298.8006 285.7337 315.5826 760210.8279 3.4088 3.3900 PRESSURE: 4597600 86.3175 -157.023 -20.1464 -157.021 48.225 -106.358 -20.1463 -106.359 335.556 GPRESSURE: 4597600 158.616 -155.664 -66.1457 -272.976 94.2147 -108.736 39.6054 -47.1251 310.927 PRESSAVG: 4597600 -6.11484 26.4685 -1.80662 26.4685 4.22368 22.7897 -1.80656 22.7897 20.0406 GPRESSAVG: 4597600 -5.16488 25.2315 -2.30879 26.4131 5.94766 23.0452 -4.12213 20.1294 17.2764 TIMING: 4597600 CPU: 14586.1, 0.00313821/step Wall: 14586.1, 0.00313821/step, 0.350782 hours remaining, 239.730469 MB of memory in use. ENERGY: 4597600 3969.9947 20493.4868 14492.5888 245.5250 -203878.1611 2839.7479 0.0000 0.0000 51954.1206 -109882.6973 298.5810 -161836.8180 -109518.2299 298.9779 156.6994 187.9194 761180.2302 6.0498 6.0197 PRESSURE: 4597800 -46.1667 -191.907 12.553 -191.906 -43.1956 18.5696 12.5533 18.5698 200.027 GPRESSURE: 4597800 36.0505 -189.276 63.5529 -266.079 -16.4064 -38.3698 59.118 -20.6296 190.493 PRESSAVG: 4597800 -7.90735 -33.7951 -8.63466 -33.7951 -5.10107 -9.08681 -8.63469 -9.08679 6.00754 GPRESSAVG: 4597800 -7.69198 -34.9933 -9.33346 -34.5586 -5.90291 -10.0394 -8.55942 -5.08394 6.76321 TIMING: 4597800 CPU: 14586.7, 0.00314719/step Wall: 14586.7, 0.00314719/step, 0.351611 hours remaining, 239.730469 MB of memory in use. ENERGY: 4597800 3964.1809 20478.7821 14578.6908 237.3684 -204028.6804 2701.3775 0.0000 0.0000 52118.9582 -109949.3224 299.5284 -162068.2806 -109582.3465 299.1342 36.8882 70.0457 760339.8510 -2.3336 -2.2772 PRESSURE: 4598000 102.398 80.3112 223.964 80.3116 -42.9498 179.165 223.965 179.166 -103.926 GPRESSURE: 4598000 102.958 47.3601 199.9 57.0727 4.77111 112.775 263.183 270.359 -71.1701 PRESSAVG: 4598000 1.79103 12.9624 -15.7058 12.9624 -25.9698 4.49254 -15.7059 4.49251 -11.9785 GPRESSAVG: 4598000 1.59405 15.363 -14.5561 14.0422 -25.5063 5.28432 -15.3554 3.40177 -12.0953 TIMING: 4598000 CPU: 14587.3, 0.00312827/step Wall: 14587.3, 0.00312828/step, 0.349324 hours remaining, 239.730469 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: 4598000 4020.7203 20312.8176 14623.7993 239.7978 -203881.8754 2788.9795 0.0000 0.0000 52115.7197 -109780.0412 299.5098 -161895.7609 -109407.4198 298.7914 -14.8261 12.1864 760662.9384 -12.0524 -12.0025 PRESSURE: 4598200 -402.267 -10.632 -143.064 -10.631 53.1214 -25.5646 -143.064 -25.5635 -615.15 GPRESSURE: 4598200 -346.234 -65.524 -147.508 -73.4947 -21.9632 23.6839 -209.595 4.6954 -499.177 PRESSAVG: 4598200 -18.1908 15.7512 -26.2374 15.7512 10.4309 48.2366 -26.2374 48.2366 9.47162 GPRESSAVG: 4598200 -18.7746 14.1178 -26.7688 14.1392 9.29679 49.8169 -25.6391 46.7261 10.3468 TIMING: 4598200 CPU: 14587.9, 0.00315435/step Wall: 14587.9, 0.00315435/step, 0.35206 hours remaining, 239.730469 MB of memory in use. ENERGY: 4598200 4067.5794 20592.7861 14395.2203 252.8384 -203436.0294 2528.1707 0.0000 0.0000 52111.2664 -109488.1681 299.4842 -161599.4345 -109124.8131 299.4405 -321.4318 -289.1248 763770.0319 0.5706 0.2897 PRESSURE: 4598400 297.413 -168.347 -202.503 -168.348 200.267 12.8012 -202.502 12.8018 253.994 GPRESSURE: 4598400 361.204 -65.3004 -177.724 -112.575 184.055 54.2816 -158.449 121.146 280.892 PRESSAVG: 4598400 -9.15623 22.0306 -36.641 22.0306 -67.9389 15.1258 -36.641 15.1258 5.34972 GPRESSAVG: 4598400 -9.62752 22.856 -37.4817 23.2817 -67.4022 14.4097 -35.4572 14.775 5.192 TIMING: 4598400 CPU: 14588.6, 0.00314245/step Wall: 14588.6, 0.00314245/step, 0.350558 hours remaining, 239.730469 MB of memory in use. ENERGY: 4598400 3968.8099 20701.9683 14487.8560 239.5423 -204270.5897 2905.4183 0.0000 0.0000 52442.6992 -109524.2958 301.3889 -161966.9950 -109159.3997 300.0016 250.5581 275.3837 760553.3902 -23.9151 -23.9459 PRESSURE: 4598600 -120.907 -16.4327 -145.003 -16.4324 42.5491 -191.896 -145.003 -191.896 -319.919 GPRESSURE: 4598600 -110.898 -124.345 -152.599 -70.2652 120.36 -316.301 -230.693 -251.838 -299.209 PRESSAVG: 4598600 21.9665 9.63006 -44.4188 9.63002 -19.3602 -39.8161 -44.4188 -39.8161 22.3545 GPRESSAVG: 4598600 22.904 9.99546 -43.48 11.0333 -19.9128 -41.198 -44.2343 -39.2014 22.2699 TIMING: 4598600 CPU: 14589.2, 0.00313908/step Wall: 14589.2, 0.00313908/step, 0.350008 hours remaining, 239.730469 MB of memory in use. ENERGY: 4598600 4049.8887 20470.8990 14480.8482 255.2372 -203606.7729 2557.0707 0.0000 0.0000 52220.7060 -109572.1231 300.1131 -161792.8291 -109202.6925 300.0510 -132.7591 -96.5825 761207.7159 8.3203 8.4204 PRESSURE: 4598800 -264.961 209.416 -130.263 209.417 -128.784 225.904 -130.263 225.903 33.3512 GPRESSURE: 4598800 -162.868 171.619 -47.1021 272.602 -107.935 229.153 -107.337 193.196 -0.294621 PRESSAVG: 4598800 -16.4789 26.8089 -49.7667 26.809 -18.3601 51.5607 -49.7667 51.5607 -2.13106 GPRESSAVG: 4598800 -16.0865 25.0261 -50.8067 26.1818 -18.6103 51.8 -51.7291 50.9299 -2.10249 TIMING: 4598800 CPU: 14589.8, 0.00314559/step Wall: 14589.8, 0.00314559/step, 0.350559 hours remaining, 239.730469 MB of memory in use. ENERGY: 4598800 4039.0502 20492.2979 14429.7623 234.0451 -203619.8147 2765.2649 0.0000 0.0000 51823.8755 -109835.5188 297.8325 -161659.3944 -109462.5011 299.2173 -120.1311 -90.3660 763151.3597 -12.3234 -12.2664 PRESSURE: 4599000 -55.449 -299.08 153.821 -299.08 -73.5256 -196.762 153.82 -196.763 170.286 GPRESSURE: 4599000 -2.3467 -207.896 139.396 -282.135 -37.2764 -121.576 277.363 -87.0544 157.237 PRESSAVG: 4599000 -11.3118 -7.58013 7.7127 -7.58016 0.0277195 42.5304 7.71273 42.5304 5.99686 GPRESSAVG: 4599000 -11.0268 -6.78156 8.10154 -8.177 0.0753624 42.7357 10.6311 44.4521 5.28252 TIMING: 4599000 CPU: 14590.4, 0.00311435/step Wall: 14590.4, 0.00311435/step, 0.346904 hours remaining, 239.730469 MB of memory in use. ENERGY: 4599000 3966.1575 20379.1758 14508.1705 243.1775 -203852.8575 2710.3063 0.0000 0.0000 51997.3364 -110048.5336 298.8294 -162045.8699 -109681.0867 298.5119 13.7704 39.2047 761911.2998 -1.7624 -1.8896 PRESSURE: 4599200 131.393 -253.629 -180.739 -253.629 -60.7651 -68.4463 -180.74 -68.4456 -152.615 GPRESSURE: 4599200 233.479 -369.581 -205.734 -297.381 -144.866 8.1946 -251.506 -210.299 -54.6531 PRESSAVG: 4599200 41.6744 -24.4604 -47.79 -24.4604 -25.0436 -37.3107 -47.79 -37.3108 23.6057 GPRESSAVG: 4599200 40.6934 -23.1178 -48.2617 -23.645 -23.6671 -36.8959 -50.1388 -39.0656 23.9362 TIMING: 4599200 CPU: 14591.1, 0.00310554/step Wall: 14591.1, 0.00310554/step, 0.34575 hours remaining, 239.730469 MB of memory in use. ENERGY: 4599200 3984.1654 20696.0485 14386.1914 245.2948 -203817.1541 2867.1457 0.0000 0.0000 51917.6377 -109720.6706 298.3714 -161638.3083 -109367.7215 298.6727 -27.3293 11.3201 762958.6571 13.4122 13.6542 PRESSURE: 4599400 -454.688 54.1785 134.042 54.1783 -457.779 -164.073 134.041 -164.074 -248.591 GPRESSURE: 4599400 -364.637 95.8533 134.277 164.465 -429.769 -196.699 69.9047 -163.913 -290.358 PRESSAVG: 4599400 27.391 14.4029 -47.599 14.4029 -17.9225 30.8 -47.5989 30.7999 6.33819 GPRESSAVG: 4599400 27.7015 12.1714 -46.6996 12.8985 -19.3472 31.3685 -49.6625 31.2642 7.40049 TIMING: 4599400 CPU: 14591.7, 0.00311767/step Wall: 14591.7, 0.00311767/step, 0.346927 hours remaining, 239.730469 MB of memory in use. ENERGY: 4599400 4064.8320 20400.8410 14478.3775 242.6607 -203418.6669 2440.6919 0.0000 0.0000 51859.3141 -109931.9496 298.0362 -161791.2637 -109575.2398 299.0600 -387.0193 -361.5882 761798.8477 5.2689 5.2516 PRESSURE: 4599600 205.138 -40.0019 133.606 -40.0036 325.349 187.965 133.606 187.965 302.169 GPRESSURE: 4599600 309.173 12.551 133.045 -31.9034 299.02 245.076 211.298 187.843 300.902 PRESSAVG: 4599600 21.856 -46.0961 -42.6216 -46.0961 1.62481 15.5205 -42.6216 15.5205 18.1609 GPRESSAVG: 4599600 22.7537 -44.6611 -42.3872 -45.1319 1.93313 14.7202 -39.8152 16.8495 17.5222 TIMING: 4599600 CPU: 14592.3, 0.00310663/step Wall: 14592.3, 0.00310663/step, 0.345527 hours remaining, 239.730469 MB of memory in use. ENERGY: 4599600 3964.1967 20482.3394 14496.4463 270.4379 -203828.6237 2937.9578 0.0000 0.0000 51905.8867 -109771.3588 298.3038 -161677.2455 -109404.0893 298.9207 277.5519 303.0317 760319.8387 13.8806 14.0697 PRESSURE: 4599800 -49.4453 -85.8665 -123.111 -85.8668 -25.4716 -100.133 -123.112 -100.133 -183.9 GPRESSURE: 4599800 25.8552 -93.6391 -156.657 -149.734 -88.5465 -138.445 -21.4961 -22.8593 -110.342 PRESSAVG: 4599800 28.6129 -110.922 -14.6817 -110.922 -7.01912 -3.3496 -14.6817 -3.34962 11.3292 GPRESSAVG: 4599800 28.1254 -110.441 -14.2383 -112.695 -6.61696 -2.93641 -15.0969 -5.70472 11.1465 TIMING: 4599800 CPU: 14592.9, 0.00311715/step Wall: 14592.9, 0.00311715/step, 0.346524 hours remaining, 239.730469 MB of memory in use. ENERGY: 4599800 3963.9238 20431.7905 14455.7949 238.7186 -203421.9978 2485.0065 0.0000 0.0000 52174.8904 -109671.8731 299.8498 -161846.7635 -109302.1920 299.3403 -86.2723 -57.6776 760721.5308 10.9743 10.8850 PRESSURE: 4600000 452.814 -98.9449 177.375 -98.9449 119.14 57.2198 177.375 57.2201 408.757 GPRESSURE: 4600000 474.044 -121.548 106.168 -109.822 174.436 15.1053 150.62 146.408 394.645 PRESSAVG: 4600000 112.186 -10.0567 31.4474 -10.0567 -49.7018 39.9129 31.4474 39.913 9.02737 GPRESSAVG: 4600000 113.311 -11.6619 31.2917 -8.36659 -50.0023 38.9834 31.9607 40.7536 8.27432 TIMING: 4600000 CPU: 14593.6, 0.00311999/step Wall: 14593.6, 0.00311999/step, 0.346666 hours remaining, 239.730469 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: 4600000 3925.8700 20562.5794 14509.6672 228.2509 -203801.0097 2718.6835 0.0000 0.0000 51817.6088 -110038.3499 297.7965 -161855.9587 -109681.6526 298.6243 326.9036 347.7083 759412.7421 23.8374 23.8611 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 -84.3765 -67.7116 380.919 -67.7118 -278.69 110.082 380.919 110.081 62.5064 GPRESSURE: 4600200 -51.6763 -13.4033 435.4 -118.368 -208.636 95.2393 208.553 7.01814 53.2472 PRESSAVG: 4600200 15.1991 -17.5111 -6.78415 -17.511 -30.9727 19.8279 -6.7842 19.8279 -7.27519 GPRESSAVG: 4600200 14.0791 -16.1928 -7.01228 -18.9749 -30.7404 20.0434 -10.4255 20.0816 -6.93766 TIMING: 4600200 CPU: 14594.2, 0.00326891/step Wall: 14594.2, 0.00326891/step, 0.363031 hours remaining, 239.730469 MB of memory in use. ENERGY: 4600200 3960.7660 20548.9765 14422.6524 250.9951 -203240.8261 2377.9722 0.0000 0.0000 51593.7968 -110085.6670 296.5103 -161679.4639 -109719.4958 298.5454 -100.1866 -69.0217 759168.2348 -7.6829 -7.8663 LDB: ============= START OF LOAD BALANCING ============== 14606.7 LDB: ============== END OF LOAD BALANCING =============== 14606.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14606.7 LDB: ============= START OF LOAD BALANCING ============== 14607 LDB: Largest compute 7056 load 0.034147 is 17.5% of average load 0.195558 LDB: Average compute 0.004362 is 2.2% of average load 0.195558 LDB: TIME 14607 LOAD: AVG 0.195558 MAX 0.213211 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 14607 LOAD: AVG 0.195558 MAX 0.213211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 14607 LOAD: AVG 0.195558 MAX 0.213211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 14607 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14607 PRESSURE: 4600400 293.749 25.8643 0.607763 25.8645 146.636 -69.3378 0.608047 -69.3368 -351.209 GPRESSURE: 4600400 287.567 133.112 17.7357 -28.944 269.799 -10.6667 -27.7378 -203.863 -372.227 PRESSAVG: 4600400 58.1067 -30.095 -2.67073 -30.095 5.52143 29.7787 -2.67074 29.7786 -7.53135 GPRESSAVG: 4600400 58.8921 -30.3064 -4.12411 -30.0617 4.63398 28.8452 1.76839 27.9298 -7.29042 TIMING: 4600400 CPU: 14594.9, 0.00321268/step Wall: 14594.9, 0.00321268/step, 0.356607 hours remaining, 242.351562 MB of memory in use. ENERGY: 4600400 3994.3117 20435.4735 14450.6691 250.0852 -204013.3858 2833.3891 0.0000 0.0000 52078.0824 -109971.3750 299.2935 -162049.4574 -109608.0733 298.5119 29.7251 61.7131 757723.0481 18.6989 18.7452 PRESSURE: 4600600 193.169 5.89151 65.859 5.89183 428.479 -55.9678 65.858 -55.967 316.069 GPRESSURE: 4600600 382.647 -96.8135 4.00033 44.3864 359.312 -59.4543 56.3924 61.3314 271.192 PRESSAVG: 4600600 33.2622 -21.3047 -24.5067 -21.3046 -57.22 -25.6138 -24.5067 -25.6138 -6.42346 GPRESSAVG: 4600600 32.9127 -23.8366 -25.05 -21.2561 -56.6828 -24.7866 -25.4252 -24.7642 -6.42655 TIMING: 4600600 CPU: 14595.5, 0.00314025/step Wall: 14595.5, 0.00314025/step, 0.348394 hours remaining, 242.417969 MB of memory in use. ENERGY: 4600600 3989.7959 20354.6336 14528.0548 245.4665 -204039.2602 2925.4520 0.0000 0.0000 52144.6290 -109851.2283 299.6759 -161995.8573 -109488.2225 298.9478 312.5727 337.7169 758661.0315 -10.1271 -10.0656 PRESSURE: 4600800 -75.6848 64.4675 217.127 64.4672 16.6143 -4.12929 217.127 -4.12979 174.103 GPRESSURE: 4600800 48.5049 53.2245 187.835 -31.1468 18.4737 42.9285 146.722 -46.7552 140.355 PRESSAVG: 4600800 54.3438 -46.8116 -11.4617 -46.8116 -65.8843 -14.6857 -11.4616 -14.6857 8.93261 GPRESSAVG: 4600800 53.6952 -46.7939 -12.1027 -45.6728 -65.444 -14.0428 -13.5773 -14.1134 8.85048 TIMING: 4600800 CPU: 14596.1, 0.00314308/step Wall: 14596.1, 0.00314308/step, 0.348532 hours remaining, 242.417969 MB of memory in use. ENERGY: 4600800 3921.8182 20414.8427 14477.4617 238.2908 -203682.1498 2729.4301 0.0000 0.0000 51965.6868 -109934.6194 298.6475 -161900.3063 -109573.2721 299.2473 38.3442 69.1111 759222.9894 -0.8693 -0.9661 PRESSURE: 4601000 88.591 51.9942 227.868 51.9943 87.27 -15.0969 227.868 -15.0971 -345.508 GPRESSURE: 4601000 66.6645 -73.7053 191.831 56.3107 81.0814 18.6811 180.1 -88.4663 -248.185 PRESSAVG: 4601000 -2.01726 -13.0291 5.94338 -13.0291 -46.6645 -35.0011 5.94341 -35.0012 -18.414 GPRESSAVG: 4601000 -1.47537 -10.1015 6.34458 -15.2767 -46.309 -35.7568 8.31735 -34.9312 -18.6406 TIMING: 4601000 CPU: 14596.7, 0.00313163/step Wall: 14596.7, 0.00313163/step, 0.347089 hours remaining, 242.417969 MB of memory in use. ENERGY: 4601000 4031.2833 20496.0745 14468.1173 243.7127 -203756.9375 2683.9000 0.0000 0.0000 52010.5156 -109823.3340 298.9051 -161833.8496 -109460.5607 298.5905 -56.5490 -33.4796 760215.6248 -22.3653 -22.1416 PRESSURE: 4601200 149.23 294.044 -115.319 294.044 -217.051 13.713 -115.319 13.7124 297.882 GPRESSURE: 4601200 109.805 209.793 -7.09516 240.627 -102.088 101.43 -369.524 119.551 308.996 PRESSAVG: 4601200 -13.47 -23.7106 5.82399 -23.7106 0.79884 21.8783 5.82398 21.8783 -0.954871 GPRESSAVG: 4601200 -13.8883 -24.9005 6.79741 -21.2873 0.346511 22.732 3.15809 21.6849 0.0858067 TIMING: 4601200 CPU: 14597.4, 0.00312113/step Wall: 14597.4, 0.00312113/step, 0.345752 hours remaining, 242.417969 MB of memory in use. ENERGY: 4601200 3987.7367 20427.8555 14452.2614 252.6348 -203393.4528 2487.9808 0.0000 0.0000 52186.5319 -109598.4516 299.9167 -161784.9835 -109242.3184 299.1567 76.6867 105.5709 760547.5555 -4.5420 -4.4853 PRESSURE: 4601400 -41.0641 -292.051 -67.6807 -292.051 -152.29 176.759 -67.6806 176.759 -518.33 GPRESSURE: 4601400 -9.28076 -274.295 -68.5645 -315.045 -117.553 202.451 -10.1758 189.635 -512.796 PRESSAVG: 4601400 63.9612 -28.1306 -25.2522 -28.1306 -45.5965 25.6451 -25.2522 25.645 -11.3186 GPRESSAVG: 4601400 64.408 -28.1222 -25.4694 -29.9902 -46.1316 26.8457 -24.8661 25.5491 -11.4246 TIMING: 4601400 CPU: 14598, 0.00312548/step Wall: 14598, 0.00312548/step, 0.34606 hours remaining, 242.417969 MB of memory in use. ENERGY: 4601400 4002.2578 20474.1191 14520.3154 256.0995 -202956.2292 2207.7375 0.0000 0.0000 51956.0881 -109539.6119 298.5924 -161495.7000 -109188.7801 299.4313 -237.2280 -213.2099 761402.3911 2.3487 2.2839 PRESSURE: 4601600 -111.416 255.035 -42.6939 255.034 109.664 -73.0767 -42.6928 -73.0769 -197.215 GPRESSURE: 4601600 -18.5101 182.039 90.8152 344.122 68.6554 -38.7709 -139.81 -27.3696 -171.827 PRESSAVG: 4601600 5.43963 -22.444 20.5191 -22.4439 -20.4067 23.1226 20.5192 23.1226 15.6092 GPRESSAVG: 4601600 5.99904 -23.7651 20.4336 -21.527 -20.7795 21.385 19.6442 23.9093 15.5171 TIMING: 4601600 CPU: 14598.6, 0.00314218/step Wall: 14598.6, 0.00314218/step, 0.347735 hours remaining, 242.417969 MB of memory in use. ENERGY: 4601600 3918.7275 20461.1981 14570.4053 254.9657 -203169.8865 2152.7427 0.0000 0.0000 52298.8473 -109512.9999 300.5622 -161811.8472 -109138.9646 299.7703 -66.3222 -40.5604 760919.6663 0.2140 0.2455 PRESSURE: 4601800 107.805 287.166 47.1894 287.165 -213.923 -97.0188 47.1898 -97.019 -109.129 GPRESSURE: 4601800 37.814 285.213 77.2605 234.031 -170.638 -74.9087 9.37648 -217.9 -19.4553 PRESSAVG: 4601800 -31.1816 50.5438 52.534 50.5437 17.8435 -30.0594 52.534 -30.0594 -3.49644 GPRESSAVG: 4601800 -32.1463 52.59 53.9166 51.536 17.4808 -32.2778 53.8041 -31.3555 -2.55638 TIMING: 4601800 CPU: 14599.2, 0.003137/step Wall: 14599.2, 0.003137/step, 0.346987 hours remaining, 242.417969 MB of memory in use. ENERGY: 4601800 4009.4748 20392.4369 14406.4651 222.4307 -203054.7756 2403.8611 0.0000 0.0000 52190.0871 -109430.0199 299.9371 -161620.1070 -109072.4536 299.0617 -71.7489 -50.7599 760068.0501 -5.6115 -5.7407 PRESSURE: 4602000 -312.364 -120.983 275.194 -120.983 -87.6713 10.8112 275.193 10.8112 -223.738 GPRESSURE: 4602000 -245.995 -143.932 269.555 -214.739 -33.6307 20.9676 170.077 70.6904 -248.931 PRESSAVG: 4602000 -4.30435 -53.0615 26.456 -53.0615 16.3416 -45.9718 26.4559 -45.9718 -14.7446 GPRESSAVG: 4602000 -4.11338 -54.439 24.5604 -54.315 17.0999 -43.4104 26.7873 -44.3873 -15.3369 TIMING: 4602000 CPU: 14599.9, 0.00315053/step Wall: 14599.9, 0.00315053/step, 0.348308 hours remaining, 242.417969 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: 4602000 3998.9439 20377.9984 14440.1127 245.7060 -203274.7017 2545.7606 0.0000 0.0000 52233.0852 -109433.0949 300.1843 -161666.1801 -109074.9212 299.3309 -207.9245 -176.1855 759897.0007 -0.9024 -0.7835 PRESSURE: 4602200 -115.101 -190.521 91.9608 -190.521 -47.5212 189.295 91.9609 189.295 82.6063 GPRESSURE: 4602200 64.3244 -45.8468 72.3549 -201.17 -92.4594 196.017 228.128 159.255 33.8656 PRESSAVG: 4602200 39.1442 -19.1003 1.68345 -19.1003 -42.8366 33.1813 1.68347 33.1812 -15.4472 GPRESSAVG: 4602200 39.9374 -19.0521 3.42287 -18.2414 -42.5559 33.0924 3.14695 33.0587 -16.5299 TIMING: 4602200 CPU: 14600.5, 0.00311269/step Wall: 14600.5, 0.00311269/step, 0.343953 hours remaining, 242.417969 MB of memory in use. ENERGY: 4602200 3977.2792 20448.6080 14455.8539 242.1209 -203015.6891 2428.4449 0.0000 0.0000 52037.0316 -109426.3505 299.0575 -161463.3821 -109073.8156 299.6253 -26.6721 1.9102 760012.8307 -6.3799 -6.3828 PRESSURE: 4602400 0.323837 156.699 -0.406259 156.699 -184.086 101.259 -0.407355 101.259 227.961 GPRESSURE: 4602400 36.3971 200.186 -51.7617 140.72 -142.628 115.474 29.4906 113.27 236.75 PRESSAVG: 4602400 63.8706 -34.3384 19.0619 -34.3384 -20.3799 -0.967771 19.0619 -0.967733 9.61038 GPRESSAVG: 4602400 63.1821 -33.1682 16.837 -35.3801 -20.627 -2.08452 19.5031 -1.42627 10.6485 TIMING: 4602400 CPU: 14601.1, 0.00312144/step Wall: 14601.1, 0.00312144/step, 0.344746 hours remaining, 242.417969 MB of memory in use. ENERGY: 4602400 4004.2018 20431.1802 14478.4151 250.6783 -203304.5077 2546.4176 0.0000 0.0000 52380.2775 -109213.3372 301.0302 -161593.6147 -108853.2541 299.7115 14.7330 43.5064 759439.6302 17.7004 17.7345 PRESSURE: 4602600 209.408 -87.4029 38.8214 -87.403 293.18 -101.182 38.8217 -101.183 -37.839 GPRESSURE: 4602600 275.09 -29.3572 22.55 -74.0551 314.236 -150.644 68.9923 -150.731 -51.6049 PRESSAVG: 4602600 9.52825 -76.7271 -16.6924 -76.7271 -15.1025 -4.44122 -16.6924 -4.44119 16.1801 GPRESSAVG: 4602600 8.2193 -76.6398 -15.8741 -76.4353 -13.5353 -3.06011 -17.6885 -6.68001 15.8118 TIMING: 4602600 CPU: 14601.7, 0.00314285/step Wall: 14601.7, 0.00314285/step, 0.346936 hours remaining, 242.417969 MB of memory in use. ENERGY: 4602600 3949.4121 20634.1333 14421.3895 248.1849 -203381.7718 2760.7498 0.0000 0.0000 51800.6157 -109567.2866 297.6989 -161367.9023 -109207.6967 299.5528 154.9163 179.2404 759636.1892 3.5353 3.4986 PRESSURE: 4602800 -203.201 91.6252 -4.91998 91.6263 13.5545 -174.128 -4.91993 -174.128 72.1342 GPRESSURE: 4602800 -96.4946 30.5324 3.46346 149.702 -28.2188 -172.954 -84.2566 -88.6457 94.18 PRESSAVG: 4602800 23.5727 -9.19636 -0.153971 -9.19643 -19.3549 -9.72198 -0.153987 -9.72197 7.3659 GPRESSAVG: 4602800 23.7341 -13.25 0.614334 -9.06212 -20.3346 -10.4844 -0.710144 -9.02546 8.2781 TIMING: 4602800 CPU: 14602.4, 0.00314121/step Wall: 14602.4, 0.00314121/step, 0.346581 hours remaining, 242.417969 MB of memory in use. ENERGY: 4602800 3940.8314 20452.8252 14447.7968 236.5811 -202996.4203 2292.3597 0.0000 0.0000 52064.6569 -109561.3692 299.2163 -161626.0261 -109198.2841 298.7277 -39.1708 -10.1778 761085.3833 3.8613 3.8925 PRESSURE: 4603000 97.1744 -107.604 -104.583 -107.603 -82.3342 241.155 -104.583 241.155 579.978 GPRESSURE: 4603000 134.448 -27.7088 -158.117 -179.191 -10.2533 164.81 -22.6508 164.699 535.477 PRESSAVG: 4603000 35.3235 12.8671 -0.518121 12.8671 -65.3426 1.77994 -0.518053 1.77991 -13.3414 GPRESSAVG: 4603000 36.2139 15.5615 -0.615454 12.6079 -64.4716 1.4698 -0.706321 1.74746 -14.4272 TIMING: 4603000 CPU: 14603, 0.00315574/step Wall: 14603, 0.00315574/step, 0.348008 hours remaining, 242.417969 MB of memory in use. ENERGY: 4603000 3938.6881 20512.6319 14402.6505 246.2882 -202950.1015 2328.7431 0.0000 0.0000 52167.3177 -109353.7821 299.8063 -161521.0998 -108979.7253 299.4893 198.2727 219.8907 760087.4811 -14.4535 -14.2283 PRESSURE: 4603200 -157.675 190.536 36.7585 190.535 -198.49 121.682 36.7584 121.683 -3.26854 GPRESSURE: 4603200 -49.5713 232.645 85.8004 216.843 -143.911 180.61 97.2376 113.599 -58.4014 PRESSAVG: 4603200 33.8786 1.90039 20.322 1.90045 -10.1341 38.963 20.322 38.9631 8.47768 GPRESSAVG: 4603200 33.6924 1.00555 20.7878 2.85601 -10.1149 39.7076 22.8617 38.7636 8.97352 TIMING: 4603200 CPU: 14603.6, 0.00313398/step Wall: 14603.6, 0.00313398/step, 0.345435 hours remaining, 242.417969 MB of memory in use. ENERGY: 4603200 4034.0559 20545.0664 14469.7729 248.4849 -203397.4058 2631.5388 0.0000 0.0000 52192.0852 -109276.4017 299.9486 -161468.4869 -108910.0880 299.8157 -119.8111 -83.9613 758702.2315 10.7407 10.8503 PRESSURE: 4603400 -7.18414 148.883 -201.174 148.883 -198.972 -5.96201 -201.174 -5.9631 -157.024 GPRESSURE: 4603400 89.2428 145.006 -117.072 129.157 -224.979 -32.3557 -177.192 33.7387 -157.3 PRESSAVG: 4603400 87.4792 21.6493 -41.2885 21.6492 -42.5513 2.70378 -41.2885 2.70377 14.0311 GPRESSAVG: 4603400 86.9415 21.0072 -42.3819 19.6024 -41.8488 2.26447 -41.7131 4.81186 14.4722 TIMING: 4603400 CPU: 14604.3, 0.00312879/step Wall: 14604.3, 0.00312879/step, 0.344689 hours remaining, 242.417969 MB of memory in use. ENERGY: 4603400 3975.4208 20504.1205 14428.7407 227.5625 -203116.4206 2331.0973 0.0000 0.0000 52345.0983 -109304.3804 300.8280 -161649.4787 -108953.3458 299.6202 -121.0601 -97.6789 759561.1251 19.6530 19.8550 PRESSURE: 4603600 -5.74122 104.694 63.0416 104.694 -44.3539 -237.177 63.0414 -237.178 -81.7271 GPRESSURE: 4603600 72.6687 160.307 71.692 -19.5538 -9.74172 -155.818 52.2015 -270.734 -75.7577 PRESSAVG: 4603600 -13.9815 19.3186 32.2407 19.3186 -37.6032 27.8314 32.2407 27.8314 3.42093 GPRESSAVG: 4603600 -13.3745 20.217 32.1962 21.2426 -37.663 28.0833 30.2216 24.4082 2.87011 TIMING: 4603600 CPU: 14604.9, 0.00313214/step Wall: 14604.9, 0.00313214/step, 0.344883 hours remaining, 242.417969 MB of memory in use. ENERGY: 4603600 3940.9763 20491.2834 14469.8166 251.7289 -203299.6794 2500.2771 0.0000 0.0000 52229.6426 -109415.9545 300.1645 -161645.5971 -109060.2348 299.8707 -43.9407 -4.2769 759947.0548 -16.0546 -16.0558 PRESSURE: 4603800 -29.9231 -181.746 13.9388 -181.746 2.50913 -75.3089 13.939 -75.3085 102.245 GPRESSURE: 4603800 -99.425 -113.255 -10.6383 -250.159 104.495 -117.538 -5.48649 87.3198 169.992 PRESSAVG: 4603800 -11.7031 14.5099 63.2143 14.5099 -2.33447 -25.121 63.2143 -25.121 -14.921 GPRESSAVG: 4603800 -13.0537 14.9458 63.7453 16.2654 -1.97906 -24.1794 62.2802 -23.4502 -13.4893 TIMING: 4603800 CPU: 14605.5, 0.00311483/step Wall: 14605.5, 0.00311483/step, 0.342805 hours remaining, 242.417969 MB of memory in use. ENERGY: 4603800 4035.2120 20378.0043 14413.2032 250.1845 -203379.8347 2542.7407 0.0000 0.0000 52057.1052 -109703.3848 299.1729 -161760.4900 -109338.8189 299.5148 24.9438 58.3540 760056.0769 -9.6529 -9.5073 PRESSURE: 4604000 161.291 0.870757 -296.262 0.870592 -212.526 60.6768 -296.262 60.6762 -422.626 GPRESSURE: 4604000 157.027 81.3758 -225.017 -77.7872 -232.483 58.2342 -184.804 87.4294 -309.58 PRESSAVG: 4604000 80.5929 -72.1763 -16.0321 -72.1763 -68.87 -4.70404 -16.0321 -4.70404 22.0018 GPRESSAVG: 4604000 81.6716 -74.82 -15.9057 -72.6415 -69.224 -3.27111 -14.3096 -6.49278 21.2986 TIMING: 4604000 CPU: 14606.1, 0.00313449/step Wall: 14606.1, 0.00313449/step, 0.344794 hours remaining, 242.417969 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: 4604000 4044.1892 20471.1665 14452.0654 269.5959 -203556.7114 2385.9400 0.0000 0.0000 52222.9369 -109710.8175 300.1259 -161933.7544 -109352.1087 299.3294 -157.9537 -128.3454 760286.7938 11.2416 11.2487 PRESSURE: 4604200 -67.1332 -93.6944 116.541 -93.6942 270.135 -278.524 116.541 -278.524 138.755 GPRESSURE: 4604200 46.4648 -44.0461 101.931 -99.2932 263.045 -309.718 114.744 -228.938 121.72 PRESSAVG: 4604200 59.7795 -37.4653 49.5502 -37.4653 -64.018 -38.5444 49.5502 -38.5444 10.0523 GPRESSAVG: 4604200 60.3212 -34.3486 48.6415 -39.1102 -65.3032 -39.2404 50.8781 -36.5511 10.6645 TIMING: 4604200 CPU: 14606.8, 0.00313833/step Wall: 14606.8, 0.00313834/step, 0.345043 hours remaining, 242.417969 MB of memory in use. ENERGY: 4604200 4012.2271 20456.6966 14383.5182 233.0564 -203277.3693 2426.2185 0.0000 0.0000 52099.0946 -109666.5579 299.4142 -161765.6525 -109314.5064 299.3779 113.9190 143.7433 759276.3394 1.9379 1.8941 LDB: ============= START OF LOAD BALANCING ============== 14619.2 LDB: ============== END OF LOAD BALANCING =============== 14619.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14619.2 LDB: ============= START OF LOAD BALANCING ============== 14619.5 LDB: Largest compute 7031 load 0.034697 is 17.8% of average load 0.195466 LDB: Average compute 0.004365 is 2.2% of average load 0.195466 LDB: TIME 14619.5 LOAD: AVG 0.195466 MAX 0.21538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 14619.5 LOAD: AVG 0.195466 MAX 0.21538 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 14619.5 LOAD: AVG 0.195466 MAX 0.21538 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 14619.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14619.5 PRESSURE: 4604400 263.798 48.6999 95.9536 48.6998 -192.939 -7.60065 95.9529 -7.60014 -253.746 GPRESSURE: 4604400 286.895 17.7215 143.325 -30.2789 -143.639 3.41612 -3.70592 -18.9292 -241.56 PRESSAVG: 4604400 84.8589 -82.0687 7.81279 -82.0687 -43.9584 -30.7076 7.81283 -30.7076 -20.3293 GPRESSAVG: 4604400 85.083 -83.6837 8.7559 -83.2412 -42.4552 -31.9089 5.41484 -30.2301 -21.9036 TIMING: 4604400 CPU: 14607.4, 0.00321573/step Wall: 14607.4, 0.00321573/step, 0.353373 hours remaining, 241.957031 MB of memory in use. ENERGY: 4604400 3898.5031 20422.7447 14413.4457 258.2544 -202780.4670 2214.3070 0.0000 0.0000 51967.4153 -109605.7969 298.6574 -161573.2122 -109242.8337 299.7772 -60.9622 -32.7681 759517.8053 6.8571 6.9081 PRESSURE: 4604600 440.442 -255.812 -114.892 -255.813 376.249 -111.199 -114.892 -111.201 182.479 GPRESSURE: 4604600 564.31 -306.639 -149.307 -285.52 238.29 -98.7009 -193.041 -185.118 298.91 PRESSAVG: 4604600 22.9854 -39.595 27.4109 -39.595 -27.622 -72.4226 27.4109 -72.4225 -9.38035 GPRESSAVG: 4604600 23.2399 -39.1385 27.9857 -37.3096 -29.5743 -72.7842 26.8476 -72.7605 -7.42809 TIMING: 4604600 CPU: 14608, 0.0031438/step Wall: 14608, 0.0031438/step, 0.345294 hours remaining, 242.160156 MB of memory in use. ENERGY: 4604600 3901.7017 20582.3442 14337.4105 251.3783 -203713.2560 2809.3302 0.0000 0.0000 52209.6561 -109621.4351 300.0496 -161831.0912 -109262.8815 299.2781 333.0568 367.1699 760255.7380 -4.6723 -4.5875 PRESSURE: 4604800 -170.944 -29.75 -328.695 -29.7498 -111.275 185.463 -328.696 185.464 74.8562 GPRESSURE: 4604800 -200.066 -55.1119 -352.42 66.3262 -55.7852 245.188 -235.411 192.412 104.078 PRESSAVG: 4604800 48.7766 -43.5211 9.65265 -43.5211 -44.3401 -37.2806 9.65267 -37.2806 -27.6302 GPRESSAVG: 4604800 48.7294 -44.9917 9.71275 -45.0664 -43.9809 -34.8235 10.1262 -36.9625 -28.4566 TIMING: 4604800 CPU: 14608.7, 0.00313518/step Wall: 14608.7, 0.00313518/step, 0.344174 hours remaining, 242.160156 MB of memory in use. ENERGY: 4604800 3950.9118 20485.9204 14477.0685 253.3873 -203644.6398 2658.3890 0.0000 0.0000 51987.4711 -109831.4918 298.7727 -161818.9629 -109469.6943 299.0121 -69.1207 -50.5910 760251.9918 -7.7312 -7.9027 PRESSURE: 4605000 -212.688 -31.112 -100.115 -31.1124 -122.689 -178.984 -100.115 -178.985 340.579 GPRESSURE: 4605000 -135.63 -25.6997 -87.4452 -70.2155 -83.451 -198.992 -129.735 -270.388 319.164 PRESSAVG: 4605000 10.1588 -78.6734 -8.09828 -78.6734 13.4314 -5.40017 -8.09826 -5.40021 20.2797 GPRESSAVG: 4605000 9.10018 -76.8659 -7.74902 -77.5442 15.0355 -7.57312 -6.34685 -5.5674 19.8389 TIMING: 4605000 CPU: 14609.3, 0.00313848/step Wall: 14609.3, 0.00313848/step, 0.344361 hours remaining, 242.160156 MB of memory in use. ENERGY: 4605000 3977.4309 20366.8591 14449.9654 230.2993 -203197.0867 2442.8750 0.0000 0.0000 52128.0212 -109601.6359 299.5805 -161729.6571 -109239.7418 298.9874 1.7340 33.3609 760197.8443 14.6233 14.6582 PRESSURE: 4605200 195.342 -102.333 368.755 -102.332 59.2225 18.9261 368.755 18.9272 -91.9003 GPRESSURE: 4605200 239.26 -87.5876 308.035 -132.349 129.199 16.3425 368.6 -61.8343 -97.1762 PRESSAVG: 4605200 -1.34105 -53.7615 -51.5841 -53.7615 6.38488 -36.1325 -51.5841 -36.1325 33.0317 GPRESSAVG: 4605200 -0.414452 -54.24 -50.7712 -55.8088 4.35096 -34.3242 -52.387 -37.8163 33.8385 TIMING: 4605200 CPU: 14609.9, 0.0031413/step Wall: 14609.9, 0.0031413/step, 0.344496 hours remaining, 242.160156 MB of memory in use. ENERGY: 4605200 3955.1498 20514.0046 14459.1266 225.2821 -202943.4576 2290.2183 0.0000 0.0000 52067.0425 -109432.6338 299.2300 -161499.6763 -109074.5859 299.5020 54.2215 90.4275 761397.0404 12.6919 12.5917 PRESSURE: 4605400 65.8405 126.451 87.8585 126.451 -135.861 -123.736 87.8589 -123.735 176.008 GPRESSURE: 4605400 160.537 235.047 94 85.6402 -144.472 -137.286 159.924 -28.9944 165.526 PRESSAVG: 4605400 63.3724 -35.6815 27.8756 -35.6815 -59.7137 -49.9654 27.8755 -49.9654 38.6988 GPRESSAVG: 4605400 62.037 -37.0139 25.9976 -32.3943 -58.6485 -51.9058 29.0093 -49.5765 38.4923 TIMING: 4605400 CPU: 14610.5, 0.00313165/step Wall: 14610.5, 0.00313165/step, 0.343264 hours remaining, 242.160156 MB of memory in use. ENERGY: 4605400 4039.5762 20459.6024 14419.4011 251.0082 -202873.1217 2229.3738 0.0000 0.0000 52030.8673 -109443.2927 299.0221 -161474.1600 -109076.5216 299.3896 35.3292 60.5305 762695.0694 14.1191 13.9603 PRESSURE: 4605600 -88.6236 -114.334 -68.4393 -114.334 -342.098 222.626 -68.4399 222.626 -83.5602 GPRESSURE: 4605600 -19.6961 -200.029 -69.1227 -38.7339 -327.148 178.106 -161.76 101.129 -69.8268 PRESSAVG: 4605600 59.0348 -33.313 20.9332 -33.313 -19.1156 -37.5659 20.9332 -37.566 14.0867 GPRESSAVG: 4605600 58.8542 -32.2646 21.0648 -33.2324 -19.8554 -37.8636 21.9155 -37.3733 14.5396 TIMING: 4605600 CPU: 14611.2, 0.00314904/step Wall: 14611.2, 0.00314904/step, 0.344995 hours remaining, 242.160156 MB of memory in use. ENERGY: 4605600 4081.6005 20551.7387 14464.9311 231.3289 -203199.5007 2357.5246 0.0000 0.0000 52067.8328 -109444.5442 299.2346 -161512.3770 -109084.7351 299.8171 -171.4272 -138.8903 760603.3693 18.0020 17.8461 PRESSURE: 4605800 358.252 40.1385 107.919 40.1372 -55.5118 46.2924 107.919 46.2924 48.7635 GPRESSURE: 4605800 335.973 127.897 58.2622 13.0731 8.43447 -1.25784 110.416 51.7442 95.8401 PRESSAVG: 4605800 76.0928 -47.1356 -22.6209 -47.1356 -61.2646 -28.596 -22.621 -28.596 -14.6925 GPRESSAVG: 4605800 76.0094 -47.7101 -23.4955 -48.7713 -61.1338 -27.4914 -24.3944 -30.3795 -14.7424 TIMING: 4605800 CPU: 14611.8, 0.0031385/step Wall: 14611.8, 0.0031385/step, 0.343666 hours remaining, 242.160156 MB of memory in use. ENERGY: 4605800 4061.5272 20628.8583 14443.7914 252.3187 -203292.7667 2532.9702 0.0000 0.0000 52113.2515 -109260.0493 299.4956 -161373.3008 -108900.9898 299.8916 117.1678 146.7493 760480.6917 0.0452 0.0444 PRESSURE: 4606000 -91.2485 -110.142 -84.4727 -110.142 127.236 4.14631 -84.4737 4.14623 -160.572 GPRESSURE: 4606000 21.4515 -130.295 -58.1341 -11.0347 70.097 -76.6841 -49.272 -31.7168 -131.733 PRESSAVG: 4606000 31.0591 -26.0253 6.1358 -26.0253 19.5905 15.8634 6.13578 15.8634 20.3816 GPRESSAVG: 4606000 31.3919 -27.5748 7.34012 -23.9701 19.3586 15.8723 8.81581 18.2391 20.7571 TIMING: 4606000 CPU: 14612.4, 0.00315048/step Wall: 14612.4, 0.00315048/step, 0.344803 hours remaining, 242.160156 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: 4606000 4028.0190 20565.4394 14511.8277 237.1189 -203138.3940 2344.3863 0.0000 0.0000 52264.3296 -109187.2730 300.3638 -161451.6027 -108816.1481 299.8058 -41.5281 -13.3950 762551.1807 23.6771 23.8359 PRESSURE: 4606200 -99.7281 57.7492 116.603 57.7496 -246.573 204.375 116.604 204.376 100.523 GPRESSURE: 4606200 -90.8764 -23.2686 40.9435 131.324 -212.162 120.202 69.951 318.312 135.591 PRESSAVG: 4606200 4.68463 -57.0535 52.9413 -57.0535 -21.898 -35.4657 52.9413 -35.4656 25.6671 GPRESSAVG: 4606200 5.79139 -55.6657 51.7314 -59.5874 -22.78 -36.4358 52.2456 -34.2782 25.3324 TIMING: 4606200 CPU: 14613.1, 0.00314752/step Wall: 14613.1, 0.00314751/step, 0.344303 hours remaining, 242.160156 MB of memory in use. ENERGY: 4606200 3997.5641 20395.9873 14351.9247 277.0556 -203123.9616 2777.5861 0.0000 0.0000 52163.1884 -109160.6554 299.7826 -161323.8437 -108797.1648 299.6107 -81.9261 -55.8156 763675.2744 2.8179 2.7813 PRESSURE: 4606400 -40.182 55.1146 496.451 55.1148 -375.642 54.8359 496.451 54.8366 123.154 GPRESSURE: 4606400 -22.1747 -17.644 492.01 72.3343 -274.628 65.3158 319.02 12.8697 89.5198 PRESSAVG: 4606400 59.8083 -16.7315 20.7252 -16.7314 -10.2294 38.5477 20.7252 38.5477 -26.4015 GPRESSAVG: 4606400 58.9463 -16.8212 21.9044 -17.4585 -8.69794 39.8099 18.3951 36.3844 -26.8689 TIMING: 4606400 CPU: 14613.7, 0.00313852/step Wall: 14613.7, 0.00313852/step, 0.343145 hours remaining, 242.160156 MB of memory in use. ENERGY: 4606400 3976.0885 20497.6905 14454.4348 238.0051 -202746.9711 2180.1947 0.0000 0.0000 52143.9889 -109256.5687 299.6722 -161400.5576 -108885.8523 299.7304 -97.5567 -69.0942 761273.5947 7.7258 7.7932 PRESSURE: 4606600 -66.4639 -214.331 -265.833 -214.331 -248.477 -40.9012 -265.833 -40.9014 -66.2104 GPRESSURE: 4606600 -128.746 -155.437 -194.371 -139.629 -175.617 -31.0951 -192.518 -79.5169 -12.2479 PRESSAVG: 4606600 -18.0909 -52.5413 24.9033 -52.5412 21.1638 -5.88635 24.9033 -5.88634 10.9354 GPRESSAVG: 4606600 -18.5279 -53.1125 25.031 -51.9571 21.068 -7.38591 26.7768 -5.70596 11.4453 TIMING: 4606600 CPU: 14614.3, 0.00314326/step Wall: 14614.3, 0.00314326/step, 0.343488 hours remaining, 242.160156 MB of memory in use. ENERGY: 4606600 3998.0867 20597.0401 14456.2300 251.7423 -202962.2484 2408.0880 0.0000 0.0000 51663.6441 -109587.4173 296.9117 -161251.0613 -109229.7395 299.4117 -127.0505 -105.5370 760209.3525 4.6694 4.6618 PRESSURE: 4606800 103.222 126.582 74.5265 126.583 625.62 95.5102 74.5267 95.5111 379.609 GPRESSURE: 4606800 187.985 85.3264 59.7971 131.345 597.877 96.3517 31.1488 -17.6951 389.474 PRESSAVG: 4606800 13.5766 -59.8118 -1.26742 -59.8118 -17.6598 -20.2799 -1.26749 -20.2799 -6.23102 GPRESSAVG: 4606800 15.6449 -59.5401 -0.451808 -58.9897 -18.8449 -18.0187 -3.11235 -20.882 -6.38438 TIMING: 4606800 CPU: 14614.9, 0.00314187/step Wall: 14614.9, 0.00314187/step, 0.343162 hours remaining, 242.160156 MB of memory in use. ENERGY: 4606800 3972.4006 20581.9413 14452.3256 234.7696 -203398.4969 2706.0518 0.0000 0.0000 52230.0521 -109220.9560 300.1668 -161451.0081 -108868.4612 299.6616 369.4833 391.7787 761280.1305 -3.4381 -3.1948 PRESSURE: 4607000 -86.9992 -75.8883 50.3525 -75.8881 -246.349 57.2275 50.3525 57.2288 -690.558 GPRESSURE: 4607000 -109.161 -83.5986 70.9561 98.6803 -214.576 55.9107 -25.474 11.8249 -613.335 PRESSAVG: 4607000 13.4839 -53.1083 -38.3173 -53.1083 -5.97156 -0.916733 -38.3173 -0.916731 3.22665 GPRESSAVG: 4607000 12.3054 -53.8851 -39.4407 -50.4767 -4.74852 -2.66752 -37.8134 -2.29523 3.4225 TIMING: 4607000 CPU: 14615.6, 0.00315709/step Wall: 14615.6, 0.00315709/step, 0.344649 hours remaining, 242.160156 MB of memory in use. ENERGY: 4607000 4104.6423 20604.3430 14359.5167 256.6038 -203279.2780 2564.8814 0.0000 0.0000 52147.2002 -109242.0907 299.6907 -161389.2909 -108877.7136 299.7626 -341.3019 -312.3573 762652.2368 3.5797 3.6598 PRESSURE: 4607200 38.0822 139.988 -178.836 139.988 -167.087 162.691 -178.836 162.69 62.714 GPRESSURE: 4607200 60.5052 100.462 -215.254 -10.2613 -152.592 175.982 -173.809 190.534 105.433 PRESSAVG: 4607200 15.2631 -40.0298 -9.42786 -40.0299 -3.78153 2.55005 -9.42794 2.55006 -2.93588 GPRESSAVG: 4607200 15.3638 -39.7882 -9.69959 -43.7171 -4.20553 3.89869 -9.37637 5.23147 -2.8373 TIMING: 4607200 CPU: 14616.2, 0.003129/step Wall: 14616.2, 0.003129/step, 0.341409 hours remaining, 242.160156 MB of memory in use. ENERGY: 4607200 3959.3752 20521.4744 14411.6058 237.3540 -203095.5902 2708.2918 0.0000 0.0000 52145.5190 -109111.9701 299.6810 -161257.4891 -108756.3811 299.7120 -22.0968 4.4489 762645.7219 2.8486 2.7737 PRESSURE: 4607400 225.766 -4.75914 -33.2033 -4.75955 -283.042 373.26 -33.2023 373.26 315.066 GPRESSURE: 4607400 157.216 10.4489 -17.6903 -114.326 -138.461 321.967 -48.295 230.353 335.004 PRESSAVG: 4607400 63.0284 -56.9655 58.8313 -56.9656 -20.6289 -23.6913 58.8313 -23.6913 -9.02889 GPRESSAVG: 4607400 64.0608 -57.814 59.6263 -54.9583 -21.3487 -24.279 60.5339 -26.0135 -9.12509 TIMING: 4607400 CPU: 14616.8, 0.00313411/step Wall: 14616.8, 0.00313411/step, 0.341793 hours remaining, 242.160156 MB of memory in use. ENERGY: 4607400 3976.6497 20485.1059 14531.0524 256.6483 -202935.4172 2329.5777 0.0000 0.0000 52069.1574 -109287.2258 299.2422 -161356.3832 -108933.6843 299.6697 85.9302 117.9197 761836.6381 11.1235 11.1957 PRESSURE: 4607600 -211.092 46.4386 -91.931 46.4391 -363.513 -82.6146 -91.9317 -82.6148 -429.201 GPRESSURE: 4607600 -217.721 0.360608 -144.336 135.01 -294.696 -102.173 34.0754 -119.435 -408.451 PRESSAVG: 4607600 27.8968 -34.0832 32.3987 -34.0833 -13.3767 36.4076 32.3987 36.4076 43.4608 GPRESSAVG: 4607600 27.1791 -31.0104 33.0196 -35.7426 -12.0345 34.8016 31.3293 38.4704 42.8903 TIMING: 4607600 CPU: 14617.5, 0.00312152/step Wall: 14617.5, 0.00312152/step, 0.340246 hours remaining, 242.160156 MB of memory in use. ENERGY: 4607600 4018.6617 20530.2259 14475.6861 242.4753 -203056.0649 2378.0721 0.0000 0.0000 51982.0049 -109428.9389 298.7413 -161410.9438 -109064.0004 299.6896 -334.6021 -306.9561 763578.7834 19.3270 19.3450 PRESSURE: 4607800 -226.008 60.5686 10.5565 60.5683 -14.4431 125.757 10.556 125.755 -70.8914 GPRESSURE: 4607800 -124.519 15.7232 34.7371 87.2301 -21.1292 136.356 147.218 95.9437 -64.9506 PRESSAVG: 4607800 65.6918 -22.9936 -22.8226 -22.9935 -71.4703 5.68207 -22.8225 5.68213 12.7361 GPRESSAVG: 4607800 65.1098 -24.1956 -22.1845 -22.3782 -71.8712 6.96706 -23.5953 4.13516 13.2505 TIMING: 4607800 CPU: 14618.1, 0.00313248/step Wall: 14618.1, 0.00313248/step, 0.341266 hours remaining, 242.160156 MB of memory in use. ENERGY: 4607800 3954.6915 20348.2361 14439.8926 235.5904 -203073.2913 2406.1302 0.0000 0.0000 52238.6936 -109450.0570 300.2165 -161688.7506 -109092.5295 299.1119 -103.7809 -70.1996 759765.8970 2.3192 2.1630 PRESSURE: 4608000 143.527 -60.5453 169.552 -60.5456 192.359 183.608 169.553 183.608 130.268 GPRESSURE: 4608000 214.797 -125.872 65.3079 -50.4399 168.404 235.969 105.996 199.195 158.733 PRESSAVG: 4608000 5.94153 -33.1503 -28.6345 -33.1503 -27.5155 -3.70451 -28.6344 -3.70457 -1.99138 GPRESSAVG: 4608000 6.66325 -33.3107 -29.8541 -33.9212 -27.8167 -5.79004 -27.5389 -2.78675 -1.87683 TIMING: 4608000 CPU: 14618.7, 0.00313742/step Wall: 14618.7, 0.00313742/step, 0.34163 hours remaining, 242.160156 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: 4608000 3992.5913 20464.8702 14455.3671 249.1539 -203604.3183 2812.3462 0.0000 0.0000 52002.9025 -109627.0872 298.8614 -161629.9896 -109266.4697 299.4477 155.3845 180.6445 759689.5031 -7.8551 -7.6767 PRESSURE: 4608200 339.578 52.1816 198.276 52.1816 11.2763 40.5772 198.276 40.5769 73.7374 GPRESSURE: 4608200 329.021 67.3239 128.704 -21.7737 39.0054 26.9182 108.2 66.7236 149.004 PRESSAVG: 4608200 -9.83387 -1.10106 36.1473 -1.10113 5.91689 -50.1476 36.1474 -50.1476 -8.90076 GPRESSAVG: 4608200 -10.3672 -2.8463 35.4525 0.121083 6.55102 -47.8621 34.2488 -49.557 -8.79253 TIMING: 4608200 CPU: 14619.3, 0.00315081/step Wall: 14619.3, 0.00315081/step, 0.342913 hours remaining, 242.160156 MB of memory in use. ENERGY: 4608200 4049.1784 20447.5471 14510.0785 247.8663 -203017.6231 2238.6311 0.0000 0.0000 52050.5276 -109473.7941 299.1351 -161524.3217 -109121.8634 299.2029 141.5305 172.3436 760584.9252 -4.2726 -4.2029 LDB: ============= START OF LOAD BALANCING ============== 14631.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14631.8 LDB: =============== DONE WITH MIGRATION ================ 14631.8 LDB: ============= START OF LOAD BALANCING ============== 14632.1 LDB: Largest compute 7056 load 0.037136 is 19.0% of average load 0.195431 LDB: Average compute 0.004386 is 2.2% of average load 0.195431 LDB: TIME 14632.1 LOAD: AVG 0.195431 MAX 0.215535 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.633 MB LDB: TIME 14632.1 LOAD: AVG 0.195431 MAX 0.215535 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 14632.1 LOAD: AVG 0.195431 MAX 0.215535 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 14632.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14632.1 PRESSURE: 4608400 -609.82 69.5624 -45.5203 69.5627 -257.451 80.1498 -45.521 80.1504 -121.496 GPRESSURE: 4608400 -440.091 11.7832 -107.146 79.3462 -202.3 102.745 78.3874 -57.068 -237.353 PRESSAVG: 4608400 -12.5692 -25.8839 -12.7759 -25.884 -15.5115 -16.298 -12.7759 -16.2981 -12.562 GPRESSAVG: 4608400 -12.6443 -25.2371 -14.4357 -25.9831 -15.2972 -15.3124 -9.66758 -16.9719 -12.333 TIMING: 4608400 CPU: 14620, 0.00320327/step Wall: 14620, 0.00320327/step, 0.348445 hours remaining, 240.605469 MB of memory in use. ENERGY: 4608400 3956.5312 20521.5999 14447.8577 249.6794 -203149.4833 2264.1422 0.0000 0.0000 52218.4493 -109491.2236 300.1001 -161709.6729 -109130.4227 299.6652 -329.5888 -293.2480 760070.8333 -13.5476 -13.4248 PRESSURE: 4608600 -74.7168 8.93289 -43.5866 8.93297 -132.249 156.486 -43.5863 156.485 480.902 GPRESSURE: 4608600 -15.0323 45.8352 -134.215 -12.3494 -126.799 82.8102 -83.5263 188.64 507.4 PRESSAVG: 4608600 6.15894 -40.0122 -18.3832 -40.0123 12.514 -22.2325 -18.3831 -22.2325 4.56615 GPRESSAVG: 4608600 7.57163 -41.5518 -16.4157 -37.4617 11.7093 -24.6383 -19.7824 -23.0192 4.30422 TIMING: 4608600 CPU: 14620.6, 0.00312026/step Wall: 14620.6, 0.00312026/step, 0.339242 hours remaining, 240.808594 MB of memory in use. ENERGY: 4608600 3905.2058 20496.0757 14490.3487 232.6582 -203338.6477 2345.1570 0.0000 0.0000 52158.0510 -109711.1514 299.7530 -161869.2024 -109346.0827 299.9680 91.3119 121.8565 759180.6332 7.7464 7.8617 PRESSURE: 4608800 222.292 -13.5946 54.3699 -13.5952 -222.153 -86.6942 54.3702 -86.6946 340.257 GPRESSURE: 4608800 133.386 -70.9657 24.9356 71.4105 -29.0943 -52.0023 42.593 -138.252 325.331 PRESSAVG: 4608800 -13.3929 -24.6025 11.8953 -24.6026 -7.42673 29.7879 11.8953 29.7878 -14.4729 GPRESSAVG: 4608800 -15.3153 -23.6659 11.7796 -25.2402 -5.14848 30.3156 12.2994 29.994 -14.7237 TIMING: 4608800 CPU: 14621.2, 0.00312956/step Wall: 14621.2, 0.00312956/step, 0.340079 hours remaining, 240.808594 MB of memory in use. ENERGY: 4608800 3936.8077 20491.0534 14435.0656 255.1556 -203479.7340 2530.7678 0.0000 0.0000 52157.5689 -109673.3150 299.7503 -161830.8839 -109307.4584 299.0473 113.4654 143.2078 758520.5826 -11.7642 -11.7292 PRESSURE: 4609000 -311.337 105.977 38.4866 105.978 -265.654 -92.082 38.4858 -92.082 -211.648 GPRESSURE: 4609000 -225.244 5.46958 91.3248 73.0625 -273.94 -32.932 20.2216 -189.672 -206.398 PRESSAVG: 4609000 1.44076 -31.2287 22.5127 -31.2287 -25.9868 16.0448 22.5128 16.0449 6.59626 GPRESSAVG: 4609000 2.17241 -31.9257 24.2244 -31.7383 -26.8961 17.6359 20.4035 14.0024 7.03897 TIMING: 4609000 CPU: 14621.9, 0.00312878/step Wall: 14621.9, 0.00312878/step, 0.33982 hours remaining, 240.808594 MB of memory in use. ENERGY: 4609000 3933.6987 20506.5767 14416.9010 241.8214 -203248.4180 2418.7339 0.0000 0.0000 52053.9724 -109676.7139 299.1549 -161730.6863 -109309.1544 299.5160 -262.8796 -235.1938 759440.0904 -5.9833 -5.8949 PRESSURE: 4609200 53.7076 13.3651 -160.064 13.3661 -241.768 270.508 -160.065 270.508 -18.4698 GPRESSURE: 4609200 79.8907 -21.889 -47.028 -39.4903 -198.886 264.274 -229.681 225.514 3.67212 PRESSAVG: 4609200 33.0729 -52.7712 31.0416 -52.7712 -18.3753 -14.289 31.0416 -14.289 8.87188 GPRESSAVG: 4609200 34.1275 -48.8232 28.856 -54.0327 -20.204 -15.1674 34.0848 -14.0563 9.6087 TIMING: 4609200 CPU: 14622.5, 0.00312553/step Wall: 14622.5, 0.00312553/step, 0.339294 hours remaining, 240.808594 MB of memory in use. ENERGY: 4609200 3978.3986 20403.0050 14491.3882 249.3480 -203173.2087 2324.9090 0.0000 0.0000 52230.8560 -109495.3040 300.1714 -161726.1599 -109121.8380 299.7342 -68.8435 -38.4411 759191.1492 7.8565 7.8440 PRESSURE: 4609400 152.116 -135.128 247.989 -135.127 146.967 81.4121 247.989 81.412 153.284 GPRESSURE: 4609400 159.393 -91.2741 257.761 -123.667 277.926 178.667 295.241 -4.93052 99.6122 PRESSAVG: 4609400 11.603 -74.0533 14.0008 -74.0532 -17.9412 52.2784 14.0008 52.2784 -6.58113 GPRESSAVG: 4609400 11.5349 -76.8709 14.6088 -73.8858 -17.586 53.1248 13.202 53.5094 -7.13526 TIMING: 4609400 CPU: 14623.1, 0.00313164/step Wall: 14623.1, 0.00313164/step, 0.339783 hours remaining, 240.808594 MB of memory in use. ENERGY: 4609400 4017.0434 20409.2401 14401.3472 262.8734 -203497.2893 2574.2267 0.0000 0.0000 52320.2392 -109512.3192 300.6851 -161832.5584 -109147.4520 299.5684 150.7889 178.9770 758945.5220 -4.3064 -4.3955 PRESSURE: 4609600 55.3569 -243.603 393.679 -243.603 -210.187 428.091 393.679 428.09 -180.516 GPRESSURE: 4609600 55.0339 -163.302 373.363 -147.139 -137 397.391 214.589 405.654 -183.01 PRESSAVG: 4609600 54.0219 -30.0388 -30.7684 -30.0388 -38.5286 1.22315 -30.7684 1.2232 2.63064 GPRESSAVG: 4609600 52.1255 -27.8847 -31.0282 -30.6544 -38.2641 0.396901 -32.4509 1.16421 3.98516 TIMING: 4609600 CPU: 14623.7, 0.00312363/step Wall: 14623.7, 0.00312363/step, 0.338741 hours remaining, 240.808594 MB of memory in use. ENERGY: 4609600 4009.5888 20526.4544 14419.6983 253.9940 -203198.1391 2328.2435 0.0000 0.0000 52084.7951 -109575.3650 299.3320 -161660.1600 -109217.2160 300.1196 -111.7823 -88.3255 760146.6487 6.0413 5.9488 PRESSURE: 4609800 -75.6246 124.264 94.5124 124.264 39.2547 50.6319 94.513 50.6316 -32.5414 GPRESSURE: 4609800 62.1884 169.103 -15.934 165.147 58.0711 104.74 111.66 -52.8079 -98.4383 PRESSAVG: 4609800 -11.5406 -19.198 -15.6569 -19.198 26.5842 17.0051 -15.6569 17.0052 -8.89063 GPRESSAVG: 4609800 -10.7054 -18.7067 -13.706 -18.9421 26.7006 16.6885 -15.1246 18.0743 -10.4854 TIMING: 4609800 CPU: 14624.4, 0.0031361/step Wall: 14624.4, 0.0031361/step, 0.339918 hours remaining, 240.808594 MB of memory in use. ENERGY: 4609800 3947.9517 20631.5715 14457.5734 240.3367 -203499.6604 2528.9012 0.0000 0.0000 52207.9733 -109485.3526 300.0399 -161693.3259 -109124.0631 300.2693 -22.9704 7.2737 761326.9741 2.0510 1.8366 PRESSURE: 4610000 23.7349 -190.9 -114.964 -190.9 73.1742 16.9222 -114.964 16.923 24.5258 GPRESSURE: 4610000 65.0568 -200.651 -96.2666 -222.186 96.1012 53.084 -38.7946 39.3049 42.4364 PRESSAVG: 4610000 -43.044 -43.6201 8.96363 -43.6201 57.9816 -11.1408 8.96364 -11.1409 -4.00822 GPRESSAVG: 4610000 -42.4531 -41.2142 7.01722 -44.987 57.2572 -12.8804 9.85014 -12.6527 -4.16565 TIMING: 4610000 CPU: 14625, 0.00312066/step Wall: 14625, 0.00312066/step, 0.338071 hours remaining, 240.808594 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: 4610000 4046.5409 20547.2457 14491.1078 254.9010 -203711.3473 2736.4471 0.0000 0.0000 52113.4744 -109521.6304 299.4969 -161635.1048 -109166.2332 300.0554 40.4783 67.8648 762036.5157 3.6431 3.5462 PRESSURE: 4610200 13.4426 -200.764 128.934 -200.764 -97.5989 138.162 128.934 138.161 -37.6106 GPRESSURE: 4610200 -2.73826 -124.156 128.821 -115.032 -11.708 121.38 86.7048 135.391 -31.3781 PRESSAVG: 4610200 20.4374 26.7805 93.0848 26.7804 -14.1644 36.7105 93.0848 36.7104 6.61923 GPRESSAVG: 4610200 20.1309 24.9261 92.9654 27.9449 -14.8749 39.1952 92.3022 36.7845 8.0004 TIMING: 4610200 CPU: 14625.6, 0.00315034/step Wall: 14625.6, 0.00315034/step, 0.341112 hours remaining, 240.808594 MB of memory in use. ENERGY: 4610200 4030.9328 20610.8608 14466.6817 247.4242 -203193.7265 2369.8016 0.0000 0.0000 52061.6720 -109406.3533 299.1991 -161468.0254 -109046.6848 299.9431 -40.5890 -15.2748 762414.7181 4.2974 4.4188 PRESSURE: 4610400 67.0077 -260.105 231.991 -260.105 -245.486 85.9158 231.99 85.9157 -254.164 GPRESSURE: 4610400 90.1504 -196.19 358.73 -222.603 -255.309 178.706 184.123 69.5945 -192.047 PRESSAVG: 4610400 -18.355 -65.3937 22.5598 -65.3937 24.8947 10.482 22.5598 10.482 -0.159077 GPRESSAVG: 4610400 -17.9883 -65.3469 22.9408 -64.6154 25.1581 10.1228 24.2939 9.72098 -0.669914 TIMING: 4610400 CPU: 14626.2, 0.00314968/step Wall: 14626.2, 0.00314968/step, 0.340865 hours remaining, 240.808594 MB of memory in use. ENERGY: 4610400 4038.5756 20546.7864 14489.6401 257.2791 -203207.1032 2139.1273 0.0000 0.0000 52240.8813 -109494.8134 300.2291 -161735.6947 -109137.7685 300.0189 -144.2141 -119.0682 760117.9217 2.1269 2.1666 PRESSURE: 4610600 -110.707 90.7237 367.54 90.7231 -155.953 33.479 367.54 33.4806 -235.331 GPRESSURE: 4610600 -91.7469 11.494 334.517 101.53 -106.531 -45.6301 126.245 20.0711 -212.759 PRESSAVG: 4610600 -8.75354 -14.534 -9.31079 -14.534 44.0902 23.5918 -9.31084 23.5918 -7.30269 GPRESSAVG: 4610600 -9.06462 -14.279 -9.34574 -15.1073 45.1665 21.4556 -10.1007 24.2434 -7.19731 TIMING: 4610600 CPU: 14626.9, 0.00312122/step Wall: 14626.9, 0.00312122/step, 0.337611 hours remaining, 240.808594 MB of memory in use. ENERGY: 4610600 3973.4984 20407.8609 14517.5371 252.0227 -203284.8528 2386.2498 0.0000 0.0000 52222.8892 -109524.7947 300.1257 -161747.6839 -109152.2476 299.5380 -167.3302 -137.0123 762163.4695 9.3447 9.6349 PRESSURE: 4610800 -109.671 -3.87245 -238.472 -3.8727 -98.7428 55.9731 -238.471 55.973 135.361 GPRESSURE: 4610800 -14.2024 -7.27108 -224.918 -14.4082 -94.803 104.537 -264.178 71.6861 125.686 PRESSAVG: 4610800 44.3165 -59.8363 -18.6496 -59.8363 -40.9551 3.09495 -18.6496 3.09494 -9.92286 GPRESSAVG: 4610800 44.6633 -62.1666 -18.3333 -58.9476 -41.5258 4.10475 -18.4032 4.42087 -10.3865 TIMING: 4610800 CPU: 14627.5, 0.00311093/step Wall: 14627.5, 0.00311093/step, 0.336326 hours remaining, 240.808594 MB of memory in use. ENERGY: 4610800 3968.2693 20676.1327 14472.0702 249.2037 -203284.0281 2459.3371 0.0000 0.0000 52041.8338 -109417.1813 299.0851 -161459.0152 -109052.7563 299.7647 -24.3509 5.5602 760827.5060 -2.1872 -2.4163 PRESSURE: 4611000 -208.734 50.9779 -126.655 50.9774 -17.2044 152.431 -126.655 152.431 386.697 GPRESSURE: 4611000 -75.1291 83.0694 -24.4616 38.7354 -71.3077 146.068 13.4978 33.0785 410.975 PRESSAVG: 4611000 11.129 -51.3121 -21.0208 -51.3121 -32.0349 65.0823 -21.0208 65.0822 21.8956 GPRESSAVG: 4611000 11.4609 -49.9503 -20.9874 -51.0191 -31.6766 65.3159 -21.1153 62.9762 21.5323 TIMING: 4611000 CPU: 14628.1, 0.00311703/step Wall: 14628.1, 0.00311703/step, 0.336812 hours remaining, 240.808594 MB of memory in use. ENERGY: 4611000 3981.0491 20415.7298 14521.1106 235.6866 -203120.8965 2446.8297 0.0000 0.0000 52323.8366 -109196.6540 300.7058 -161520.4907 -108833.6469 299.7977 53.5862 88.1793 760264.7895 0.3299 0.4389 PRESSURE: 4611200 -173.58 99.3656 -168.412 99.3657 -38.9299 -128.86 -168.412 -128.86 169.481 GPRESSURE: 4611200 -115.429 29.7877 -242.344 108.754 -1.68119 -150.978 -155.76 -134.407 172.161 PRESSAVG: 4611200 19.7256 -18.9931 -15.4604 -18.993 28.4778 -30.6206 -15.4604 -30.6208 -16.5468 GPRESSAVG: 4611200 19.6594 -17.9574 -14.4099 -18.5639 27.9245 -30.0307 -16.5686 -30.0096 -15.4691 TIMING: 4611200 CPU: 14628.7, 0.00311721/step Wall: 14628.7, 0.00311721/step, 0.336659 hours remaining, 240.808594 MB of memory in use. ENERGY: 4611200 4003.8332 20495.0263 14544.9536 242.3379 -203130.7873 2306.5287 0.0000 0.0000 52325.0970 -109213.0106 300.7131 -161538.1076 -108860.4032 300.4810 -14.3428 18.3503 759781.9310 10.5522 10.7049 PRESSURE: 4611400 -281.457 127.998 -56.5854 127.998 -420.698 38.7528 -56.5854 38.752 -34.636 GPRESSURE: 4611400 -280.647 98.6334 -54.3997 164.837 -388.198 54.4166 46.8131 -21.8231 29.5918 PRESSAVG: 4611400 25.9264 -21.725 -28.3098 -21.725 -40.6394 -15.4688 -28.3098 -15.4687 0.129765 GPRESSAVG: 4611400 25.4216 -22.5436 -28.5586 -22.903 -39.3529 -15.5079 -27.9913 -15.4749 -0.317998 TIMING: 4611400 CPU: 14629.4, 0.00312044/step Wall: 14629.4, 0.00312044/step, 0.336834 hours remaining, 240.808594 MB of memory in use. ENERGY: 4611400 3972.4345 20687.8287 14523.2307 245.9175 -203268.4317 2509.4212 0.0000 0.0000 52195.9908 -109133.6083 299.9711 -161329.5991 -108780.6118 300.1753 -245.5969 -213.0846 761015.0766 -4.8611 -4.7498 PRESSURE: 4611600 -89.7024 14.9301 119.823 14.9303 -356.173 9.71624 119.824 9.71662 -303.795 GPRESSURE: 4611600 -122.065 28.645 43.9187 36.2698 -248.157 -40.4795 179.405 129.663 -300.11 PRESSAVG: 4611600 -33.1782 -33.4513 29.6908 -33.4513 11.7891 -28.137 29.6909 -28.1369 -22.3784 GPRESSAVG: 4611600 -32.7767 -32.4764 31.1705 -33.479 10.8141 -28.8387 27.8029 -27.2979 -21.9017 TIMING: 4611600 CPU: 14630, 0.00313521/step Wall: 14630, 0.00313521/step, 0.338255 hours remaining, 240.808594 MB of memory in use. ENERGY: 4611600 4016.2467 20665.2947 14485.4549 246.9482 -203238.6167 2355.2655 0.0000 0.0000 52162.9615 -109306.4451 299.7813 -161469.4067 -108936.1929 300.4024 -249.8899 -223.4442 763084.5263 -14.5892 -14.6214 PRESSURE: 4611800 -65.8022 -213.283 44.3968 -213.284 60.3366 22.2614 44.3963 22.2602 284.724 GPRESSURE: 4611800 -112.222 -237.732 32.5194 -236.092 173.471 50.0736 85.3 18.0755 302.013 PRESSAVG: 4611800 6.02373 0.331686 12.6407 0.331667 -12.751 22.6535 12.6407 22.6536 14.2119 GPRESSAVG: 4611800 6.30846 -1.15413 10.9468 1.15079 -12.5943 21.6719 14.1723 22.3959 13.6623 TIMING: 4611800 CPU: 14630.6, 0.00314286/step Wall: 14630.6, 0.00314286/step, 0.338905 hours remaining, 240.808594 MB of memory in use. ENERGY: 4611800 4028.9047 20553.0557 14484.6565 244.3408 -203521.0738 2748.5747 0.0000 0.0000 52263.4976 -109198.0437 300.3590 -161461.5414 -108824.8770 299.7851 93.0860 121.0875 761568.0387 2.4949 2.4588 PRESSURE: 4612000 -144.638 -146.851 148.369 -146.851 72.0112 21.8274 148.37 21.8264 -248.391 GPRESSURE: 4612000 -53.3141 -135.077 129.79 -74.064 180.689 -29.3281 49.6674 116.163 -383.721 PRESSAVG: 4612000 -24.2897 -23.808 -15.8452 -23.8081 49.0522 11.5193 -15.8453 11.5192 -1.47429 GPRESSAVG: 4612000 -25.0553 -21.7506 -15.7057 -23.9911 49.3178 13.618 -16.2815 11.3272 -1.40082 TIMING: 4612000 CPU: 14631.2, 0.00312697/step Wall: 14631.2, 0.00312697/step, 0.337018 hours remaining, 240.808594 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: 4612000 4036.6537 20555.3999 14499.6131 248.6980 -203739.6686 2847.4114 0.0000 0.0000 52448.8872 -109103.0052 301.4245 -161551.8924 -108745.0757 300.6086 -107.0059 -85.4490 760461.0326 7.7627 7.6206 PRESSURE: 4612200 -461.193 -42.5442 12.3382 -42.5444 -240.057 33.069 12.3385 33.07 -212.023 GPRESSURE: 4612200 -479.187 19.1653 95.1146 -70.3113 -155.821 113.998 54.8101 -116.15 -179.742 PRESSAVG: 4612200 -45.1345 -45.1632 -35.7402 -45.1631 62.0461 20.6345 -35.7402 20.6344 -7.13786 GPRESSAVG: 4612200 -44.0762 -46.0091 -36.5562 -45.5634 61.5087 20.438 -34.9248 21.2836 -7.95107 TIMING: 4612200 CPU: 14631.9, 0.00313481/step Wall: 14631.9, 0.00313481/step, 0.337689 hours remaining, 240.808594 MB of memory in use. ENERGY: 4612200 4012.9389 20587.0940 14591.3169 253.5085 -202883.6920 1990.9520 0.0000 0.0000 52409.0500 -109038.8318 301.1955 -161447.8818 -108670.2537 300.5808 -304.4243 -271.5833 761515.3494 3.2579 3.1605 LDB: ============= START OF LOAD BALANCING ============== 14644.3 LDB: ============== END OF LOAD BALANCING =============== 14644.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14644.3 LDB: ============= START OF LOAD BALANCING ============== 14644.6 LDB: Largest compute 7077 load 0.033523 is 17.1% of average load 0.195548 LDB: Average compute 0.004380 is 2.2% of average load 0.195548 LDB: TIME 14644.6 LOAD: AVG 0.195548 MAX 0.212804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.152 MB LDB: TIME 14644.6 LOAD: AVG 0.195548 MAX 0.212804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.152 MB LDB: TIME 14644.6 LOAD: AVG 0.195548 MAX 0.212804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.152 MB LDB: ============== END OF LOAD BALANCING =============== 14644.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14644.6 PRESSURE: 4612400 -312.005 -89.4747 -93.2996 -89.4756 -355.287 -4.25805 -93.2997 -4.25855 -107.431 GPRESSURE: 4612400 -326.574 -104.173 -75.6755 -72.3643 -268.578 29.7841 -41.1611 -99.2907 -79.3091 PRESSAVG: 4612400 -69.0007 -49.9609 -40.9425 -49.9609 60.5469 -19.2722 -40.9425 -19.2721 -3.80851 GPRESSAVG: 4612400 -70.4947 -51.4075 -40.2571 -49.5991 60.7036 -21.6544 -40.8169 -19.6022 -1.86223 TIMING: 4612400 CPU: 14632.5, 0.00321317/step Wall: 14632.5, 0.00321317/step, 0.345951 hours remaining, 239.835938 MB of memory in use. ENERGY: 4612400 3959.3331 20498.1823 14424.1618 243.5170 -203355.9927 2628.5698 0.0000 0.0000 52415.8725 -109186.3562 301.2347 -161602.2287 -108823.2315 300.8590 -258.2409 -224.8203 761235.5006 -4.0874 -3.8844 PRESSURE: 4612600 196.66 -94.6059 -46.7364 -94.6061 302.456 -94.2554 -46.7367 -94.2541 130.319 GPRESSURE: 4612600 331.887 -169.782 -36.607 -90.1121 209.757 -94.5025 -12.0899 45.796 163.048 PRESSAVG: 4612600 -36.7799 -56.5623 -31.7208 -56.5623 6.09497 10.4639 -31.7208 10.4639 -21.9436 GPRESSAVG: 4612600 -34.0307 -56.7551 -32.2992 -57.0106 4.46362 11.5795 -31.7949 9.67515 -23.0364 TIMING: 4612600 CPU: 14633.1, 0.00313618/step Wall: 14633.1, 0.00313618/step, 0.337488 hours remaining, 239.835938 MB of memory in use. ENERGY: 4612600 3986.6703 20599.4967 14586.7673 243.7162 -203290.0668 2704.5640 0.0000 0.0000 52113.6049 -109055.2472 299.4976 -161168.8522 -108696.6944 300.5878 209.8120 234.8973 761703.5497 -17.5428 -17.5345 PRESSURE: 4612800 -179.235 76.9555 26.9945 76.9564 -137.406 9.65147 26.9949 9.65122 207.972 GPRESSURE: 4612800 -45.3225 98.5234 -22.3415 188.459 -116.129 100.098 7.48765 -32.6424 124.924 PRESSAVG: 4612800 25.4271 -59.3183 4.05032 -59.3182 -4.22497 -36.1315 4.05032 -36.1314 2.67818 GPRESSAVG: 4612800 24.4343 -57.9556 3.73428 -59.1298 -3.06913 -35.3264 5.11207 -36.3313 2.63528 TIMING: 4612800 CPU: 14633.8, 0.00312957/step Wall: 14633.8, 0.00312957/step, 0.336602 hours remaining, 240.093750 MB of memory in use. ENERGY: 4612800 4012.3796 20624.1963 14429.9884 238.2676 -202634.0900 2204.5673 0.0000 0.0000 52045.1951 -109079.4956 299.1045 -161124.6908 -108717.9721 300.3119 -36.2231 -12.1760 761699.9625 7.9601 8.0001 PRESSURE: 4613000 231.661 -220.055 167.311 -220.054 288.742 -59.231 167.31 -59.23 86.3265 GPRESSURE: 4613000 279.806 -156.106 236.05 -134.09 356.689 -54.7988 10.626 42.4859 59.4876 PRESSAVG: 4613000 15.0113 -1.87616 9.50254 -1.87612 -9.01799 -64.4803 9.50256 -64.4803 -33.047 GPRESSAVG: 4613000 15.1681 -2.5723 9.80082 -2.0434 -9.73959 -66.2861 8.03945 -65.5008 -32.9657 TIMING: 4613000 CPU: 14634.4, 0.00313436/step Wall: 14634.4, 0.00313436/step, 0.336944 hours remaining, 240.093750 MB of memory in use. ENERGY: 4613000 3996.8888 20461.7603 14505.2923 249.9152 -203317.2672 2675.4951 0.0000 0.0000 52374.1043 -109053.8112 300.9947 -161427.9155 -108682.6181 300.9888 202.2430 231.9942 760908.0247 -9.0179 -9.1791 PRESSURE: 4613200 187.488 86.6493 -72.3168 86.6493 170.797 -12.3402 -72.3168 -12.341 219.567 GPRESSURE: 4613200 146.151 140.011 -20.5117 39.027 273.421 20.5985 -37.398 -39.5374 246.923 PRESSAVG: 4613200 -34.4851 -7.68333 -7.65105 -7.68332 29.4974 22.4524 -7.65104 22.4524 -2.91872 GPRESSAVG: 4613200 -35.2803 -8.53152 -7.83332 -8.47535 30.3703 22.0423 -6.2345 22.2956 -3.28452 TIMING: 4613200 CPU: 14635, 0.00313675/step Wall: 14635, 0.00313675/step, 0.337027 hours remaining, 240.093750 MB of memory in use. ENERGY: 4613200 3944.6861 20746.0296 14473.7093 257.2067 -203669.1976 2743.0316 0.0000 0.0000 52273.8597 -109230.6747 300.4186 -161504.5344 -108860.3307 300.9076 192.6176 222.1648 760784.0051 -2.6355 -2.7315 PRESSURE: 4613400 184.578 125.78 -178.179 125.78 -43.9282 -18.7839 -178.178 -18.7845 -151.548 GPRESSURE: 4613400 246.514 -24.0374 -178.207 77.744 -48.6241 -31.2081 -231.823 -70.6553 -129.645 PRESSAVG: 4613400 0.882776 -17.5176 25.7304 -17.5176 -12.9393 8.41526 25.7304 8.41531 18.582 GPRESSAVG: 4613400 0.808443 -17.2292 26.7145 -17.1669 -12.9604 8.87778 26.0521 10.8792 18.5966 TIMING: 4613400 CPU: 14635.6, 0.00314766/step Wall: 14635.6, 0.00314766/step, 0.338024 hours remaining, 240.093750 MB of memory in use. ENERGY: 4613400 4034.3965 20670.5738 14456.0710 228.4502 -203542.4196 2816.5543 0.0000 0.0000 51990.0809 -109346.2929 298.7877 -161336.3737 -108984.7785 300.5225 -3.6326 22.7483 761336.1058 2.1752 2.1482 PRESSURE: 4613600 165.084 83.2929 -66.2173 83.2932 -383.917 130.849 -66.2179 130.849 -319.937 GPRESSURE: 4613600 20.4521 32.5415 -91.5122 48.7459 -263.175 88.3499 50.1762 129.753 -189.814 PRESSAVG: 4613600 1.65034 42.4989 -25.3326 42.4989 -10.2951 70.6958 -25.3327 70.6958 1.05349 GPRESSAVG: 4613600 0.805259 41.1118 -24.944 43.68 -10.5337 72.1776 -27.7118 69.6511 2.24118 TIMING: 4613600 CPU: 14636.3, 0.00313847/step Wall: 14636.3, 0.00313847/step, 0.336863 hours remaining, 240.164062 MB of memory in use. ENERGY: 4613600 3970.0821 20677.5258 14511.9811 248.3966 -203367.0803 2267.8130 0.0000 0.0000 52031.6816 -109659.6001 299.0268 -161691.2816 -109291.4260 300.0342 -179.5899 -144.1791 760031.2104 -2.5304 -2.4957 PRESSURE: 4613800 169.186 166.072 172.389 166.072 112.096 -33.0876 172.389 -33.0858 168.151 GPRESSURE: 4613800 212.481 103.434 265.469 113.644 183.62 -92.4673 152.849 53.6514 129.8 PRESSAVG: 4613800 -13.9238 -3.66987 39.0813 -3.66986 2.75955 30.1149 39.0813 30.1149 21.9263 GPRESSAVG: 4613800 -13.7688 -1.32935 39.3115 -4.31463 2.84626 31.0447 40.7188 30.4308 21.4818 TIMING: 4613800 CPU: 14636.9, 0.00313639/step Wall: 14636.9, 0.00313639/step, 0.336465 hours remaining, 240.164062 MB of memory in use. ENERGY: 4613800 3917.2449 20608.2384 14487.3314 258.7561 -203826.4708 2847.2180 0.0000 0.0000 52209.7265 -109497.9554 300.0500 -161707.6819 -109124.5965 299.7872 149.8114 175.3006 759970.3672 3.5874 3.5198 PRESSURE: 4614000 -89.115 29.2303 289.894 29.2302 58.2275 24.3542 289.894 24.3544 -68.1046 GPRESSURE: 4614000 73.4924 161.106 223.553 -13.2282 54.4458 26.0505 204.548 -5.53821 -143.647 PRESSAVG: 4614000 -42.0194 10.7608 12.0763 10.7609 18.2554 -58.296 12.0763 -58.296 -15.4619 GPRESSAVG: 4614000 -40.06 10.7742 13.5469 11.3762 18.0869 -59.5733 10.9974 -58.979 -17.0037 TIMING: 4614000 CPU: 14637.5, 0.00315785/step Wall: 14637.5, 0.00315785/step, 0.338592 hours remaining, 240.164062 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: 4614000 4016.4729 20499.0053 14493.1511 248.4787 -202903.7326 2302.0540 0.0000 0.0000 52267.7827 -109076.7879 300.3837 -161344.5706 -108715.8334 299.9880 -32.9974 -5.2362 761883.9732 -13.0753 -12.9923 PRESSURE: 4614200 -267.256 -71.1024 -57.6155 -71.1021 151.148 -353.945 -57.6155 -353.944 159.603 GPRESSURE: 4614200 -204.902 29.0442 -88.0384 -34.5157 105.103 -379.518 -24.4861 -310.032 230.348 PRESSAVG: 4614200 -18.5338 -9.29778 26.7669 -9.29772 49.5577 -45.9187 26.7669 -45.9187 13.9873 GPRESSAVG: 4614200 -18.9058 -9.12366 25.746 -11.4898 48.1194 -46.107 27.8859 -46.1362 15.5379 TIMING: 4614200 CPU: 14638.2, 0.00315482/step Wall: 14638.2, 0.00315482/step, 0.338091 hours remaining, 240.164062 MB of memory in use. ENERGY: 4614200 4033.8735 20529.2211 14595.1586 246.8376 -203553.9535 2567.3406 0.0000 0.0000 52701.6564 -108879.8657 302.8771 -161581.5221 -108514.4983 301.2108 14.4985 43.5162 761558.2242 15.0037 14.9171 PRESSURE: 4614400 23.3787 -41.7457 -190.672 -41.7456 -62.4963 -143.003 -190.671 -143.001 -17.0999 GPRESSURE: 4614400 22.066 36.7145 -114.663 -116.544 15.1849 -141.485 -142.354 -111.272 -12.2439 PRESSAVG: 4614400 -0.0143264 -16.4814 11.6996 -16.4814 5.68473 -19.3978 11.6996 -19.3978 -2.03147 GPRESSAVG: 4614400 -1.62852 -16.8129 11.7713 -16.0633 6.73691 -17.3052 10.894 -20.5471 -1.54042 TIMING: 4614400 CPU: 14638.8, 0.0031356/step Wall: 14638.8, 0.0031356/step, 0.335858 hours remaining, 240.164062 MB of memory in use. ENERGY: 4614400 3928.5426 20580.1937 14457.9338 256.2625 -203292.9028 2573.6434 0.0000 0.0000 52506.3028 -108990.0241 301.7544 -161496.3268 -108613.2837 301.0368 -18.7392 8.3357 761054.7927 1.2130 1.1893 PRESSURE: 4614600 94.4716 223.057 236.176 223.057 463.254 -71.1859 236.176 -71.1854 -12.4057 GPRESSURE: 4614600 137.06 178.778 236.839 191.136 403.864 -76.7029 115.172 -188.183 83.6344 PRESSAVG: 4614600 63.4149 3.87746 20.077 3.87749 -49.3414 -25.6213 20.077 -25.6213 21.1508 GPRESSAVG: 4614600 63.4795 5.734 19.506 4.07859 -48.5624 -28.3552 20.0117 -23.087 19.9448 TIMING: 4614600 CPU: 14639.4, 0.00313895/step Wall: 14639.4, 0.00313895/step, 0.336042 hours remaining, 240.164062 MB of memory in use. ENERGY: 4614600 3949.2701 20523.3513 14552.7338 270.2564 -203144.4920 2544.8986 0.0000 0.0000 52061.4854 -109242.4965 299.1981 -161303.9819 -108876.2078 300.5403 181.7732 208.1859 761409.4849 11.7414 11.6206 PRESSURE: 4614800 363.144 -43.4022 341.356 -43.4031 78.7199 69.5437 341.356 69.5429 327.154 GPRESSURE: 4614800 316.727 17.9502 357.999 -32.6902 219.583 56.5439 275.657 21.134 331.624 PRESSAVG: 4614800 29.6222 12.5898 7.66623 12.5897 6.15214 22.0051 7.66626 22.0051 3.56454 GPRESSAVG: 4614800 29.5048 8.89441 7.23943 16.5901 6.09356 23.3001 7.67968 19.0003 3.19326 TIMING: 4614800 CPU: 14640, 0.00313695/step Wall: 14640, 0.00313695/step, 0.335654 hours remaining, 240.164062 MB of memory in use. ENERGY: 4614800 4008.9926 20442.5331 14547.9634 229.9093 -203131.2979 2479.9863 0.0000 0.0000 52065.1131 -109356.8002 299.2189 -161421.9133 -108992.8626 299.7832 256.3392 289.3113 761874.2604 13.1130 12.9305 PRESSURE: 4615000 40.6372 63.6104 16.1164 63.6103 -7.479 -286.387 16.1173 -286.386 -23.2244 GPRESSURE: 4615000 109.142 59.1583 66.6824 93.3279 -61.6591 -172.403 141.89 -314.456 24.2442 PRESSAVG: 4615000 -8.47233 -29.8712 50.6766 -29.8712 -16.8313 -78.4733 50.6766 -78.4734 0.093207 GPRESSAVG: 4615000 -9.15238 -27.2009 50.7331 -31.7275 -17.7624 -78.1633 51.2159 -76.0946 1.95287 TIMING: 4615000 CPU: 14640.7, 0.00317358/step Wall: 14640.7, 0.00317358/step, 0.339397 hours remaining, 240.164062 MB of memory in use. ENERGY: 4615000 3914.9896 20809.5170 14565.8426 252.9530 -203505.5966 2366.5661 0.0000 0.0000 52149.6460 -109446.0824 299.7047 -161595.7284 -109082.6699 299.5753 3.3113 23.9090 759716.4252 -8.4035 -8.3206 PRESSURE: 4615200 -192.201 64.9252 22.1666 64.9258 -257.416 47.4691 22.1666 47.4684 -146.893 GPRESSURE: 4615200 -181.385 -69.8085 89.3052 152.853 -190.809 154.44 -34.7773 67.3538 -143.373 PRESSAVG: 4615200 -9.63035 -29.0949 6.44255 -29.0949 -14.6318 -59.6145 6.44255 -59.6145 -11.1895 GPRESSAVG: 4615200 -9.36061 -29.0432 6.86933 -29.1267 -14.4551 -60.0465 8.67807 -59.9441 -12.1597 TIMING: 4615200 CPU: 14641.3, 0.00314715/step Wall: 14641.3, 0.00314715/step, 0.336395 hours remaining, 240.164062 MB of memory in use. ENERGY: 4615200 4007.1504 20612.4493 14429.5010 229.8870 -203089.8813 2308.2152 0.0000 0.0000 52136.9004 -109365.7780 299.6315 -161502.6784 -109018.5790 300.2725 -198.8368 -171.8558 761721.7151 -11.8172 -11.9918 PRESSURE: 4615400 148.961 -24.0537 -4.11444 -24.0537 561.239 -10.0686 -4.11459 -10.0686 -64.8918 GPRESSURE: 4615400 274.135 -5.51617 -39.7747 -20.6814 454.923 -0.445836 -110.487 -54.5121 6.13425 PRESSAVG: 4615400 -0.542106 -6.02123 33.0743 -6.02134 -2.86589 -31.3696 33.0743 -31.3696 9.50303 GPRESSAVG: 4615400 1.08061 -5.06207 32.2794 -6.68702 -2.98842 -31.7974 29.0161 -29.8877 8.2727 TIMING: 4615400 CPU: 14641.9, 0.00312628/step Wall: 14641.9, 0.00312627/step, 0.33399 hours remaining, 240.164062 MB of memory in use. ENERGY: 4615400 3998.6122 20504.4901 14443.8235 249.8433 -203538.9050 2762.0387 0.0000 0.0000 52232.9802 -109347.1171 300.1837 -161580.0973 -108981.3442 300.1126 215.1028 245.0643 760771.4254 2.0317 2.1216 PRESSURE: 4615600 -417.96 57.8838 -49.0168 57.8839 -360.092 77.4964 -49.0171 77.4968 -75.2379 GPRESSURE: 4615600 -300.175 -34.7585 -61.8993 60.7493 -373.733 175.599 126.14 47.512 -63.7259 PRESSAVG: 4615600 -15.5282 -85.1998 12.8955 -85.1999 33.5004 5.68845 12.8956 5.68838 27.7424 GPRESSAVG: 4615600 -15.9523 -87.6439 12.7395 -84.4553 32.8424 5.75883 14.94 4.35433 28.9597 TIMING: 4615600 CPU: 14642.6, 0.00312735/step Wall: 14642.6, 0.00312735/step, 0.333932 hours remaining, 240.164062 MB of memory in use. ENERGY: 4615600 3992.8373 20624.5935 14476.1361 240.4672 -203206.1615 2312.2020 0.0000 0.0000 52009.6744 -109550.2510 298.9003 -161559.9254 -109182.8836 299.9859 -284.4297 -245.8782 761016.0500 15.2382 15.2832 PRESSURE: 4615800 -191.55 74.1256 -165.765 74.1259 35.6766 -173.391 -165.766 -173.391 106.863 GPRESSURE: 4615800 -167.859 -107.319 -179.605 -27.7154 104.965 -132.021 -133.185 -90.0561 90.0183 PRESSAVG: 4615800 -17.3764 -46.1143 48.9489 -46.1143 -2.15955 5.17135 48.9489 5.17134 19.5197 GPRESSAVG: 4615800 -17.3176 -45.8523 48.2899 -46.1418 -0.874629 5.95109 49.1779 6.51573 18.6868 TIMING: 4615800 CPU: 14643.2, 0.00314133/step Wall: 14643.2, 0.00314133/step, 0.33525 hours remaining, 240.164062 MB of memory in use. ENERGY: 4615800 3957.3594 20582.5463 14480.6822 249.7013 -203406.7639 2486.9146 0.0000 0.0000 52046.8201 -109602.7400 299.1138 -161649.5601 -109238.1512 299.5092 -16.3366 9.0416 762721.6462 -0.0054 0.1648 PRESSURE: 4616000 184.84 118.679 -320.882 118.679 327.674 -76.4656 -320.882 -76.4646 55.7857 GPRESSURE: 4616000 155.117 109.016 -277.667 157.417 374.876 -86.7384 -179.116 -173.488 120.966 PRESSAVG: 4616000 -63.1208 -47.3423 -1.15574 -47.3423 21.94 -69.4732 -1.15575 -69.4733 -4.07767 GPRESSAVG: 4616000 -63.2845 -47.2559 -0.331563 -46.7882 22.3969 -69.1711 -1.78899 -70.1326 -3.99267 TIMING: 4616000 CPU: 14643.8, 0.00314302/step Wall: 14643.8, 0.00314302/step, 0.335256 hours remaining, 240.164062 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: 4616000 3950.1877 20473.5472 14500.2556 269.3870 -204236.8690 3164.2817 0.0000 0.0000 52107.3798 -109771.8299 299.4618 -161879.2098 -109412.3910 298.7753 189.4332 216.9864 761299.6479 -15.0862 -14.9601 PRESSURE: 4616200 433.917 102.585 129.056 102.586 112.285 119.711 129.056 119.711 190.076 GPRESSURE: 4616200 363.529 120.703 92.8757 9.08244 202.052 196.882 70.527 -25.1749 251.673 PRESSAVG: 4616200 7.85597 -40.4659 38.402 -40.4659 45.3833 15.5863 38.402 15.5863 2.94678 GPRESSAVG: 4616200 7.35246 -39.5614 39.1677 -41.9209 43.767 14.9168 37.6953 15.1191 4.77686 TIMING: 4616200 CPU: 14644.4, 0.00312312/step Wall: 14644.4, 0.00312312/step, 0.332959 hours remaining, 240.164062 MB of memory in use. ENERGY: 4616200 3979.5436 20582.0336 14418.7240 235.8206 -204149.4615 3023.4201 0.0000 0.0000 52017.7255 -109892.1942 298.9466 -161909.9197 -109525.4936 298.8660 245.4259 272.4182 762942.0011 18.7287 18.6321 LDB: ============= START OF LOAD BALANCING ============== 14656.9 LDB: ============== END OF LOAD BALANCING =============== 14656.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14656.9 LDB: ============= START OF LOAD BALANCING ============== 14657.2 LDB: Largest compute 7078 load 0.033644 is 17.2% of average load 0.195435 LDB: Average compute 0.004387 is 2.2% of average load 0.195435 LDB: TIME 14657.2 LOAD: AVG 0.195435 MAX 0.215895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 14657.2 LOAD: AVG 0.195435 MAX 0.215895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 14657.2 LOAD: AVG 0.195435 MAX 0.215895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 14657.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14657.2 PRESSURE: 4616400 -35.6634 -83.5229 184.159 -83.523 33.8448 97.0048 184.158 97.0034 28.4044 GPRESSURE: 4616400 44.0973 -119.248 215.558 11.1044 60.5588 161.009 38.2017 60.5921 8.26013 PRESSAVG: 4616400 0.349274 4.61411 -12.7271 4.61412 -3.79423 -3.67774 -12.7271 -3.67775 17.5372 GPRESSAVG: 4616400 0.832653 3.9457 -14.5176 4.38403 -3.96871 -3.38273 -13.3223 -4.44453 17.2248 TIMING: 4616400 CPU: 14645.1, 0.00318054/step Wall: 14645.1, 0.00318054/step, 0.338904 hours remaining, 242.089844 MB of memory in use. ENERGY: 4616400 4069.0998 20564.0353 14453.9835 248.8444 -203755.9978 2421.7912 0.0000 0.0000 52126.2914 -109871.9522 299.5705 -161998.2436 -109506.2014 298.5602 8.8619 37.6387 762006.6104 4.6974 4.6962 PRESSURE: 4616600 138.421 -166.698 37.3559 -166.697 -660.267 -24.2448 37.3552 -24.2455 -137.384 GPRESSURE: 4616600 110.949 -159.017 68.0805 -162.12 -588.744 -57.7901 78.9181 92.4844 -108.244 PRESSAVG: 4616600 40.5307 -13.8616 54.5369 -13.8616 -29.569 4.45904 54.5368 4.45903 26.0319 GPRESSAVG: 4616600 40.8535 -12.5977 55.3144 -13.9991 -28.3994 4.158 55.7799 4.85285 24.7548 TIMING: 4616600 CPU: 14645.7, 0.00314952/step Wall: 14645.7, 0.00314952/step, 0.335424 hours remaining, 242.292969 MB of memory in use. ENERGY: 4616600 3976.3670 20535.0282 14499.9954 222.6713 -203689.0702 2427.0038 0.0000 0.0000 52076.1030 -109951.9016 299.2821 -162028.0046 -109572.3921 298.9895 -219.7432 -195.3464 761881.0975 12.3312 12.4030 PRESSURE: 4616800 216.367 10.0237 -73.8339 10.0234 -32.8009 24.8461 -73.8335 24.8452 -45.742 GPRESSURE: 4616800 146.753 85.7403 -121.119 -8.80194 106.3 37.2137 5.23829 -22.4608 -14.4505 PRESSAVG: 4616800 15.6632 -52.6159 28.7542 -52.6159 -15.0316 3.22751 28.7542 3.22746 17.0575 GPRESSAVG: 4616800 14.3184 -53.6098 28.9153 -52.7651 -14.2911 4.95473 28.9872 2.48903 17.5347 TIMING: 4616800 CPU: 14646.3, 0.00315266/step Wall: 14646.3, 0.00315266/step, 0.335583 hours remaining, 242.292969 MB of memory in use. ENERGY: 4616800 4023.9946 20563.9055 14530.3509 230.4946 -203772.4455 2711.8003 0.0000 0.0000 51939.0111 -109772.8884 298.4942 -161711.8996 -109412.5027 298.9927 45.9415 79.5343 759887.1365 5.8963 5.8540 PRESSURE: 4617000 239.265 -178.221 332.552 -178.221 168.146 280.156 332.553 280.156 -128.255 GPRESSURE: 4617000 254.431 18.7887 345.476 -31.4969 225.809 288.116 289.699 347.988 -100.131 PRESSAVG: 4617000 6.98674 -4.07148 7.0223 -4.07147 9.82954 -10.2928 7.02232 -10.2928 -9.41629 GPRESSAVG: 4617000 7.41219 -4.72213 7.33868 -1.52287 9.14786 -11.4543 6.51779 -9.9341 -9.4975 TIMING: 4617000 CPU: 14647, 0.00313757/step Wall: 14647, 0.00313757/step, 0.333803 hours remaining, 242.292969 MB of memory in use. ENERGY: 4617000 4024.9284 20511.0834 14472.9498 261.7707 -204015.3358 2884.7882 0.0000 0.0000 52114.5765 -109745.2387 299.5032 -161859.8152 -109380.9771 299.2304 93.0520 126.7028 761472.2261 2.4667 2.3542 PRESSURE: 4617200 177.547 30.24 -198.456 30.2398 -35.1092 50.6989 -198.456 50.6987 -68.2243 GPRESSURE: 4617200 168.434 59.9326 -259.902 116.194 81.3506 4.20801 -18.4671 -1.00549 -93.8102 PRESSAVG: 4617200 24.4709 -5.41142 14.7138 -5.41137 -3.23346 -26.4139 14.7138 -26.4138 9.79534 GPRESSAVG: 4617200 25.6887 -2.41726 14.5953 -8.50583 -3.03892 -27.6533 11.4557 -23.8315 8.56874 TIMING: 4617200 CPU: 14647.6, 0.00313931/step Wall: 14647.6, 0.00313931/step, 0.333814 hours remaining, 242.292969 MB of memory in use. ENERGY: 4617200 4015.0399 20513.4894 14519.7306 231.3378 -204031.5775 2734.8146 0.0000 0.0000 52168.4455 -109848.7196 299.8128 -162017.1652 -109481.0737 298.8349 24.7377 51.9916 761082.2765 10.3443 10.4062 PRESSURE: 4617400 46.1031 -21.0068 132.337 -21.0075 -222.57 425.587 132.337 425.587 505.659 GPRESSURE: 4617400 35.212 -77.4086 60.2607 6.87152 -124.313 303.817 181.23 221.319 487.613 PRESSAVG: 4617400 20.2989 -30.2367 -4.50347 -30.2368 -12.2156 21.0545 -4.50338 21.0545 -3.18879 GPRESSAVG: 4617400 18.8295 -32.7394 -4.77913 -29.4388 -12.2238 21.2772 -0.00618181 17.7668 -1.602 TIMING: 4617400 CPU: 14648.2, 0.0031383/step Wall: 14648.2, 0.0031383/step, 0.333531 hours remaining, 242.292969 MB of memory in use. ENERGY: 4617400 4001.7325 20676.6011 14497.5974 238.1617 -203664.7127 2625.9324 0.0000 0.0000 51791.6951 -109832.9926 297.6476 -161624.6877 -109475.2549 299.0921 109.7307 132.8373 762524.0841 1.6315 1.6679 PRESSURE: 4617600 216.982 -5.27265 79.8003 -5.27289 -102.446 -19.267 79.7996 -19.2675 128.241 GPRESSURE: 4617600 231.833 33.1407 109.968 55.3799 -49.2502 -25.314 -22.3918 -125.165 152.628 PRESSAVG: 4617600 36.5712 -52.2547 32.6787 -52.2548 -39.9423 51.8391 32.6787 51.8392 -4.63325 GPRESSAVG: 4617600 37.5782 -50.4808 33.769 -52.3967 -41.543 51.4702 30.6495 53.1035 -3.61173 TIMING: 4617600 CPU: 14648.9, 0.00314583/step Wall: 14648.9, 0.00314583/step, 0.334157 hours remaining, 242.292969 MB of memory in use. ENERGY: 4617600 4088.2949 20453.9933 14462.8719 265.5454 -203609.9621 2620.2843 0.0000 0.0000 51776.9653 -109942.0069 297.5629 -161718.9722 -109576.0189 298.4348 80.9258 111.7369 760429.2141 -2.6681 -2.5255 PRESSURE: 4617800 -11.7991 -61.5721 -66.4737 -61.5721 -161.749 -27.8598 -66.4723 -27.8601 -110.454 GPRESSURE: 4617800 -51.0493 9.91984 -97.7796 17.0977 -13.8289 -29.7549 -14.0076 8.25465 -143.94 PRESSAVG: 4617800 26.5681 -28.861 -15.8721 -28.861 -17.7894 1.91598 -15.8721 1.91608 -0.190548 GPRESSAVG: 4617800 25.9837 -29.4999 -17.1602 -29.7526 -16.0814 2.49087 -13.2856 2.50038 -1.23312 TIMING: 4617800 CPU: 14649.5, 0.00314458/step Wall: 14649.5, 0.00314458/step, 0.333849 hours remaining, 242.292969 MB of memory in use. ENERGY: 4617800 3993.4453 20456.6508 14509.0467 253.7910 -203626.2598 2668.3731 0.0000 0.0000 51844.0378 -109900.9150 297.9484 -161744.9528 -109536.6888 298.4579 -94.6674 -69.6062 761790.2865 2.8627 2.8897 PRESSURE: 4618000 -257.96 -226.784 -27.4547 -226.784 62.5836 89.8045 -27.4543 89.8042 -830.613 GPRESSURE: 4618000 -235.76 -181.224 -78.2641 -217.699 64.5408 26.194 7.41617 98.4452 -755.902 PRESSAVG: 4618000 12.22 -26.5738 -38.5663 -26.5738 23.4016 -5.25885 -38.5664 -5.25883 -9.68777 GPRESSAVG: 4618000 12.444 -27.5569 -39.1955 -24.3665 24.2451 -4.78935 -40.6495 -5.65839 -10.8774 TIMING: 4618000 CPU: 14650.1, 0.00313414/step Wall: 14650.1, 0.00313414/step, 0.332567 hours remaining, 242.292969 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: 4618000 4054.9724 20392.5064 14507.1714 249.3622 -203639.6631 2524.5151 0.0000 0.0000 52246.5044 -109664.6313 300.2614 -161911.1357 -109302.2312 299.0578 -341.9964 -309.0404 760296.7085 8.6446 8.6039 PRESSURE: 4618200 -306.538 18.1665 -311.505 18.166 -290.449 -15.849 -311.505 -15.8489 -286.911 GPRESSURE: 4618200 -239.539 -138.511 -176.376 67.7375 -258.515 -30.0768 -263.156 -115.901 -293.992 PRESSAVG: 4618200 53.7924 -28.2215 -59.9688 -28.2215 1.91687 9.04203 -59.9688 9.04207 -20.9149 GPRESSAVG: 4618200 53.7456 -26.7758 -58.1562 -30.6119 0.278535 8.85304 -59.7427 9.28959 -19.257 TIMING: 4618200 CPU: 14650.7, 0.00314929/step Wall: 14650.7, 0.00314929/step, 0.333999 hours remaining, 242.292969 MB of memory in use. ENERGY: 4618200 4015.3562 20364.9368 14478.0209 251.5900 -203400.7499 2266.1988 0.0000 0.0000 52151.5953 -109873.0518 299.7159 -162024.6471 -109514.9945 299.0076 -294.6325 -264.0152 761748.1051 11.5981 11.5891 PRESSURE: 4618400 279.298 -134.783 -211.702 -134.782 -304.095 -124.216 -211.702 -124.216 -231.09 GPRESSURE: 4618400 256.811 -140.917 -171.044 -64.8081 -264.235 -64.504 -105.823 -21.9764 -168.663 PRESSAVG: 4618400 74.7764 2.04071 0.578954 2.04074 -87.7191 -0.849551 0.578959 -0.849489 1.43247 GPRESSAVG: 4618400 73.8594 -0.0210047 -1.37612 3.28575 -87.1289 -0.993728 2.41201 -0.0324742 1.72031 TIMING: 4618400 CPU: 14651.4, 0.00312518/step Wall: 14651.4, 0.00312518/step, 0.331269 hours remaining, 242.292969 MB of memory in use. ENERGY: 4618400 3978.6196 20506.3070 14515.6497 244.8877 -203382.4776 2441.7264 0.0000 0.0000 51940.1741 -109755.1129 298.5009 -161695.2870 -109399.4778 298.7617 -85.2955 -58.6960 763176.5592 -3.8367 -3.8497 PRESSURE: 4618600 -358.113 42.6289 -200.004 42.6292 -227.149 -96.3699 -200.005 -96.3692 -208.517 GPRESSURE: 4618600 -304.842 102.031 -214.622 -20.659 -256.332 -127.856 -214.465 -165.796 -143.443 PRESSAVG: 4618600 54.1423 -3.13101 -24.5809 -3.131 -53.024 -2.54279 -24.581 -2.54274 -5.81495 GPRESSAVG: 4618600 55.7027 -1.3521 -24.3678 -4.31482 -53.0779 -1.01079 -26.0151 -4.29076 -7.06727 TIMING: 4618600 CPU: 14652, 0.00312105/step Wall: 14652, 0.00312105/step, 0.330658 hours remaining, 242.292969 MB of memory in use. ENERGY: 4618600 3978.7507 20473.3271 14507.9740 245.3524 -203256.0975 2421.7929 0.0000 0.0000 52114.2259 -109514.6745 299.5012 -161628.9004 -109155.4712 299.0680 -264.5931 -234.8724 762230.1966 -1.5656 -1.4808 PRESSURE: 4618800 199.735 103.664 -219.985 103.663 436.381 44.6436 -219.984 44.6429 241.646 GPRESSURE: 4618800 199.236 32.3468 -181.174 119.239 549.402 73.4492 -149.339 -31.3818 207.485 PRESSAVG: 4618800 0.448192 -15.3651 -19.1928 -15.3651 6.67757 -19.3808 -19.1927 -19.3808 24.7949 GPRESSAVG: 4618800 -1.4106 -16.9173 -17.7093 -15.5066 8.09949 -20.2417 -18.1146 -18.1147 25.4329 TIMING: 4618800 CPU: 14652.6, 0.00313104/step Wall: 14652.6, 0.00313104/step, 0.331542 hours remaining, 242.292969 MB of memory in use. ENERGY: 4618800 3910.5550 20552.9984 14571.5482 266.8674 -203605.1473 2905.0840 0.0000 0.0000 52064.1416 -109333.9528 299.2133 -161398.0943 -108972.9891 299.3207 292.5877 318.7079 761718.5942 10.6402 10.7073 PRESSURE: 4619000 -267.191 50.603 176.637 50.6023 -215.792 30.3597 176.637 30.3604 -318.251 GPRESSURE: 4619000 -247.62 -39.8813 160.007 146.043 -171.508 7.80981 136.342 50.4497 -285.191 PRESSAVG: 4619000 -26.1635 -3.85686 11.4965 -3.85686 38.4329 -18.0515 11.4965 -18.0514 -3.92481 GPRESSAVG: 4619000 -25.3201 -2.5851 9.57769 -3.36747 35.9099 -18.7032 11.9862 -18.7644 -2.45696 TIMING: 4619000 CPU: 14653.2, 0.00312295/step Wall: 14653.2, 0.00312295/step, 0.330512 hours remaining, 242.292969 MB of memory in use. ENERGY: 4619000 3987.0042 20397.4977 14510.6494 254.3488 -203441.5860 2601.5458 0.0000 0.0000 52309.6843 -109380.8559 300.6245 -161690.5402 -109019.4390 300.3211 -267.0779 -234.7731 762991.5618 2.7815 2.7110 PRESSURE: 4619200 -123.503 70.1346 0.107443 70.1348 164.241 87.8471 0.107844 87.8477 53.3564 GPRESSURE: 4619200 -85.0247 79.0252 -15.294 -52.8613 229.127 106.736 -4.54552 128.95 9.8915 PRESSAVG: 4619200 -67.251 -32.9554 -5.70513 -32.9554 18.6312 0.873372 -5.7051 0.873308 2.92336 GPRESSAVG: 4619200 -67.3039 -33.7624 -4.54818 -32.3048 19.4153 1.38449 -7.46565 0.236971 1.8757 TIMING: 4619200 CPU: 14653.9, 0.00314336/step Wall: 14653.9, 0.00314336/step, 0.332498 hours remaining, 242.292969 MB of memory in use. ENERGY: 4619200 3991.1642 20381.7657 14525.3729 243.0839 -203184.7460 2491.6845 0.0000 0.0000 52126.2003 -109425.4746 299.5700 -161551.6749 -109066.2086 299.7276 31.3648 51.3311 763234.9813 -15.2322 -15.3377 PRESSURE: 4619400 -13.8609 104.922 -11.9159 104.922 155.981 101.745 -11.9158 101.745 -69.8552 GPRESSURE: 4619400 73.889 20.7643 51.7809 88.0118 48.2241 95.6836 -8.10062 5.68849 33.7127 PRESSAVG: 4619400 3.93822 27.8988 52.9826 27.8988 20.7571 8.79875 52.9826 8.79878 11.6832 GPRESSAVG: 4619400 3.10481 29.2285 53.2867 26.8039 21.8351 6.83455 51.9661 7.93055 11.5827 TIMING: 4619400 CPU: 14654.5, 0.00314045/step Wall: 14654.5, 0.00314045/step, 0.332015 hours remaining, 242.292969 MB of memory in use. ENERGY: 4619400 3951.5048 20486.9825 14463.3454 240.5146 -203571.6776 2670.1176 0.0000 0.0000 52137.5132 -109621.6996 299.6350 -161759.2127 -109262.1824 299.9411 24.0882 51.9419 762074.9202 12.1262 12.1742 PRESSURE: 4619600 -211.476 -71.7214 -57.0815 -71.722 -58.3358 70.8369 -57.0821 70.8363 35.6847 GPRESSURE: 4619600 -87.25 -43.2244 -120.075 -106.061 -75.3492 145.9 23.5834 25.9702 2.93861 PRESSAVG: 4619600 -3.77593 10.6633 27.327 10.6632 10.5763 -52.1748 27.327 -52.1749 11.0835 GPRESSAVG: 4619600 -2.551 11.1328 27.7309 9.85177 9.83243 -51.8039 27.5249 -51.0668 11.1105 TIMING: 4619600 CPU: 14655.1, 0.0031378/step Wall: 14655.1, 0.0031378/step, 0.331561 hours remaining, 242.292969 MB of memory in use. ENERGY: 4619600 3956.2623 20603.2329 14417.9407 252.9474 -203173.8010 2240.4966 0.0000 0.0000 52009.3120 -109693.6091 298.8982 -161702.9212 -109337.1525 298.7254 -78.0423 -53.2202 760920.4975 5.9613 6.1306 PRESSURE: 4619800 -141.509 -85.3839 -31.9532 -85.3834 52.637 71.057 -31.9535 71.0574 109.143 GPRESSURE: 4619800 -148.482 -165.068 50.7628 -39.066 43.3594 28.2866 -75.7366 176.903 191.724 PRESSAVG: 4619800 -50.6973 -0.465628 26.6222 -0.465561 22.5694 -10.7644 26.6222 -10.7644 11.9314 GPRESSAVG: 4619800 -50.7472 -2.12411 25.1991 0.883144 22.4606 -9.26449 28.7801 -9.47927 12.194 TIMING: 4619800 CPU: 14655.8, 0.00313817/step Wall: 14655.8, 0.00313817/step, 0.331425 hours remaining, 242.292969 MB of memory in use. ENERGY: 4619800 3941.3441 20528.6256 14496.3949 236.2892 -203190.9765 2282.3919 0.0000 0.0000 52144.0062 -109561.9247 299.6723 -161705.9309 -109200.5607 298.9399 6.7568 28.8669 760779.4199 -5.3988 -5.3642 PRESSURE: 4620000 -31.2281 85.7671 161.368 85.7662 69.1133 49.2538 161.368 49.2543 -42.348 GPRESSURE: 4620000 -0.323476 -21.5364 205.133 76.4297 97.2035 33.7867 61.4714 -34.3025 -32.7625 PRESSAVG: 4620000 -131.637 -10.7058 29.3612 -10.7058 91.1529 59.9754 29.3612 59.9754 -10.1196 GPRESSAVG: 4620000 -132.971 -9.98713 30.841 -11.6626 92.0794 60.2982 29.9154 58.2999 -10.396 TIMING: 4620000 CPU: 14656.4, 0.0031371/step Wall: 14656.4, 0.0031371/step, 0.331139 hours remaining, 242.292969 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: 4620000 3987.4756 20520.2712 14400.9974 246.1206 -203386.4440 2413.8791 0.0000 0.0000 52439.7266 -109377.9736 301.3718 -161817.7002 -109012.8290 299.7294 -1.4876 21.3725 760847.0685 -16.8681 -17.0958 PRESSURE: 4620200 -195.038 46.8113 77.4595 46.8111 -123.417 -25.5102 77.4595 -25.5095 36.9805 GPRESSURE: 4620200 -103.124 148.011 -45.9778 70.1954 -157.467 37.7004 60.1265 -22.961 50.1356 PRESSAVG: 4620200 -45.5337 -28.3308 29.4666 -28.3309 44.4165 13.4107 29.4666 13.4107 7.86802 GPRESSAVG: 4620200 -45.1039 -27.4654 27.264 -27.8971 44.2548 12.3574 26.8597 13.4647 7.73222 TIMING: 4620200 CPU: 14657, 0.00313474/step Wall: 14657, 0.00313474/step, 0.330715 hours remaining, 242.292969 MB of memory in use. ENERGY: 4620200 3976.4028 20795.8771 14513.1346 239.3178 -203427.0684 2412.3561 0.0000 0.0000 52181.4755 -109308.5045 299.8877 -161489.9801 -108955.4727 300.3761 -93.8247 -70.1519 761296.7678 2.2503 2.2944 LDB: ============= START OF LOAD BALANCING ============== 14669.5 LDB: ============== END OF LOAD BALANCING =============== 14669.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14669.5 LDB: ============= START OF LOAD BALANCING ============== 14669.8 LDB: Largest compute 7078 load 0.035192 is 18.0% of average load 0.195477 LDB: Average compute 0.004403 is 2.3% of average load 0.195477 LDB: TIME 14669.8 LOAD: AVG 0.195477 MAX 0.217233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.945 MB LDB: TIME 14669.8 LOAD: AVG 0.195477 MAX 0.217233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.949 MB LDB: TIME 14669.8 LOAD: AVG 0.195477 MAX 0.217233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.949 MB LDB: ============== END OF LOAD BALANCING =============== 14669.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14669.8 PRESSURE: 4620400 -18.5868 27.8828 99.655 27.8818 -19.6114 54.9089 99.6552 54.909 -11.8923 GPRESSURE: 4620400 -8.87843 43.6821 209.085 44.5675 41.5177 -57.1398 172.318 97.247 -18.0455 PRESSAVG: 4620400 13.5293 13.0627 41.2797 13.0627 -21.6953 13.06 41.2797 13.06 28.4871 GPRESSAVG: 4620400 12.675 11.4155 43.4119 13.3741 -20.552 13.0373 41.9708 15.4632 28.1325 TIMING: 4620400 CPU: 14657.7, 0.00323576/step Wall: 14657.7, 0.00323576/step, 0.341193 hours remaining, 239.457031 MB of memory in use. ENERGY: 4620400 3938.7236 20705.1687 14468.6032 255.6234 -203366.3150 2630.7357 0.0000 0.0000 52365.4893 -109001.9710 300.9452 -161367.4603 -108622.8199 300.8082 -16.6968 4.8646 761022.0109 6.7737 6.7519 PRESSURE: 4620600 26.4808 -154.259 291.689 -154.258 336.835 -65.3036 291.689 -65.3037 -246.28 GPRESSURE: 4620600 115.581 -183.382 259.253 -225.588 276.722 5.38343 147.347 -114.524 -177.607 PRESSAVG: 4620600 41.5922 9.85821 13.2155 9.85821 -32.4113 3.22473 13.2156 3.22475 8.76804 GPRESSAVG: 4620600 44.089 9.1768 12.2747 11.0287 -34.0024 4.37129 14.0012 3.08969 8.12744 TIMING: 4620600 CPU: 14658.3, 0.00315428/step Wall: 14658.3, 0.00315428/step, 0.332426 hours remaining, 239.457031 MB of memory in use. ENERGY: 4620600 3957.1710 20675.1402 14579.5810 262.8556 -203786.6221 3182.0145 0.0000 0.0000 52204.7177 -108925.1421 300.0212 -161129.8598 -108574.6824 301.0502 39.0120 71.5653 762236.7312 5.9830 6.0714 PRESSURE: 4620800 286.735 29.7233 125.77 29.7235 -313.53 -81.092 125.77 -81.0913 134.755 GPRESSURE: 4620800 325.416 -8.55396 149.314 46.7084 -209.186 -114.158 60.3731 -67.1935 101.549 PRESSAVG: 4620800 16.6805 -32.2747 -7.36695 -32.2747 -30.8688 -30.3868 -7.36697 -30.3868 -22.9434 GPRESSAVG: 4620800 16.1512 -31.4749 -8.46478 -34.4587 -30.8601 -31.8817 -8.68048 -31.3893 -22.375 TIMING: 4620800 CPU: 14658.9, 0.00314118/step Wall: 14658.9, 0.00314119/step, 0.330871 hours remaining, 239.457031 MB of memory in use. ENERGY: 4620800 3954.7554 20465.4482 14520.1477 236.7868 -202856.7814 2499.4890 0.0000 0.0000 52321.4365 -108858.7178 300.6920 -161180.1543 -108490.3681 300.4086 35.9864 72.5929 762984.4914 -12.3772 -12.3613 PRESSURE: 4621000 -155.671 136.801 51.9645 136.802 130.276 -128.541 51.9647 -128.542 181.966 GPRESSURE: 4621000 -65.3972 85.2208 31.7682 65.8428 196.718 -81.3273 192.142 -64.5896 118.642 PRESSAVG: 4621000 -21.6234 -74.7852 63.5111 -74.7853 26.7457 8.81928 63.5111 8.81935 4.68161 GPRESSAVG: 4621000 -22.0297 -73.421 65.5231 -75.6375 27.5997 10.8134 64.7833 9.00067 4.20791 TIMING: 4621000 CPU: 14659.5, 0.00315421/step Wall: 14659.5, 0.00315421/step, 0.332068 hours remaining, 239.457031 MB of memory in use. ENERGY: 4621000 4064.4656 20686.0682 14475.8639 243.2012 -203266.5836 2669.7387 0.0000 0.0000 52337.3101 -108789.9359 300.7832 -161127.2461 -108432.6217 300.8918 52.1904 83.3209 761696.4776 3.2680 3.2593 PRESSURE: 4621200 48.4488 11.0137 45.066 11.0141 99.0089 -161.547 45.0659 -161.547 -18.77 GPRESSURE: 4621200 34.2965 37.7042 40.994 -84.9098 200.816 -159.709 221.214 -306.99 -13.6504 PRESSAVG: 4621200 18.9993 -60.5789 27.2915 -60.5789 3.32091 -21.0694 27.2915 -21.0694 -12.0232 GPRESSAVG: 4621200 17.7984 -62.7424 25.7341 -59.9369 3.60632 -22.8943 28.2465 -24.8928 -11.5787 TIMING: 4621200 CPU: 14660.2, 0.00315173/step Wall: 14660.2, 0.00315173/step, 0.331632 hours remaining, 239.457031 MB of memory in use. ENERGY: 4621200 3952.6545 20536.6143 14474.3446 241.3594 -203049.5302 2424.4346 0.0000 0.0000 52602.9133 -108817.2096 302.3097 -161420.1229 -108451.9008 301.1177 42.8959 73.8208 763242.3558 3.4323 3.2753 PRESSURE: 4621400 54.2039 -127.698 120.985 -127.699 30.5823 -156.879 120.985 -156.878 530.694 GPRESSURE: 4621400 146.924 -148.303 59.362 -59.9607 57.3905 -216.313 168.143 -75.8873 492.736 PRESSAVG: 4621400 -27.7086 -31.0456 12.2196 -31.0456 33.4854 -71.6718 12.2196 -71.6718 -4.84843 GPRESSAVG: 4621400 -27.5448 -30.7125 12.2592 -30.3712 33.4092 -70.2806 12.0151 -69.3377 -5.51036 TIMING: 4621400 CPU: 14660.8, 0.0031598/step Wall: 14660.8, 0.0031598/step, 0.332306 hours remaining, 239.457031 MB of memory in use. ENERGY: 4621400 3937.3419 20625.2844 14540.1694 252.1549 -203396.0072 2660.0312 0.0000 0.0000 52160.4981 -109220.5275 299.7671 -161381.0255 -108864.5829 300.8093 205.1601 232.3499 761505.9944 0.3095 0.1180 PRESSURE: 4621600 243.623 57.6283 322.247 57.6285 -148.803 39.2553 322.248 39.2555 -230.162 GPRESSURE: 4621600 259.436 -103.517 261.482 60.7668 -154.702 90.8981 270.632 125.453 -144.848 PRESSAVG: 4621600 -5.34122 -34.4575 -6.41715 -34.4575 48.0899 -4.86591 -6.41715 -4.86589 -3.88279 GPRESSAVG: 4621600 -5.42587 -34.6102 -4.97228 -34.1721 47.7066 -4.44174 -8.45057 -4.43008 -2.78957 TIMING: 4621600 CPU: 14661.4, 0.00315397/step Wall: 14661.4, 0.00315397/step, 0.331517 hours remaining, 239.457031 MB of memory in use. ENERGY: 4621600 3989.1002 20514.5965 14531.5992 249.6619 -203310.5714 2414.5690 0.0000 0.0000 52676.7276 -108934.3171 302.7339 -161611.0447 -108562.2273 300.4481 -45.1138 -13.3713 761384.0380 12.9553 13.1637 PRESSURE: 4621800 172.255 -137.711 37.6975 -137.711 88.734 -53.164 37.6968 -53.1624 99.0169 GPRESSURE: 4621800 223.883 -83.9163 -46.3893 -72.65 188.301 -50.7436 120.999 -7.78656 73.6006 PRESSAVG: 4621800 -25.5125 25.8921 19.9748 25.892 25.4926 -43.8067 19.9748 -43.8067 15.183 GPRESSAVG: 4621800 -25.4691 24.2199 20.1804 27.1882 26.1309 -45.6281 20.3564 -42.4633 14.8342 TIMING: 4621800 CPU: 14662.1, 0.00316282/step Wall: 14662.1, 0.00316282/step, 0.332271 hours remaining, 239.457031 MB of memory in use. ENERGY: 4621800 3975.9437 20533.4093 14450.7189 240.7889 -203144.3231 2571.6055 0.0000 0.0000 52342.6653 -109029.1913 300.8140 -161371.8566 -108661.9961 300.9934 120.0020 161.9282 762550.4754 5.0544 5.1653 PRESSURE: 4622000 -166.885 6.83329 9.3693 6.83394 143.45 315.265 9.36982 315.266 -179.839 GPRESSURE: 4622000 -27.5968 85.414 -1.95254 -93.8825 97.5083 246.095 -28.3533 195.405 -200.157 PRESSAVG: 4622000 4.23281 6.06291 15.1955 6.06291 12.0033 -8.80352 15.1954 -8.80352 30.6623 GPRESSAVG: 4622000 5.66112 9.50568 14.3821 2.38746 11.0682 -6.87067 13.7849 -11.5024 30.0977 TIMING: 4622000 CPU: 14662.7, 0.00315563/step Wall: 14662.7, 0.00315563/step, 0.331341 hours remaining, 239.457031 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: 4622000 4023.6538 20471.2215 14404.6990 262.4579 -202871.1814 2136.3028 0.0000 0.0000 52365.7495 -109207.0969 300.9467 -161572.8464 -108836.4217 300.5768 -67.7579 -43.4153 762482.0727 15.6328 15.6090 PRESSURE: 4622200 -256.568 76.1363 122.883 76.1354 -459.267 -52.9465 122.884 -52.9472 -69.0465 GPRESSURE: 4622200 -196.112 170.788 148.939 120.69 -429.218 -123.305 103.83 0.344713 -81.0528 PRESSAVG: 4622200 -40.4454 39.877 43.026 39.877 23.905 -22.7283 43.026 -22.7283 -7.20618 GPRESSAVG: 4622200 -41.889 37.1574 41.8168 42.1863 25.3216 -24.4211 45.2427 -19.2383 -7.09805 TIMING: 4622200 CPU: 14663.3, 0.00314576/step Wall: 14663.3, 0.00314576/step, 0.330131 hours remaining, 239.457031 MB of memory in use. ENERGY: 4622200 4019.8421 20626.3917 14486.0532 244.3841 -202819.1425 2108.1847 0.0000 0.0000 52019.2575 -109315.0292 298.9554 -161334.2867 -108960.7392 299.6981 -261.6273 -235.4610 762681.2289 -7.9155 -7.8885 PRESSURE: 4622400 -160.439 -157.008 -142.201 -157.009 -36.0811 100.947 -142.202 100.948 81.1909 GPRESSURE: 4622400 -90.846 -90.0965 -132.596 -205.875 7.57105 219.836 -81.7625 3.75661 62.1486 PRESSAVG: 4622400 0.872411 2.57457 12.5914 2.5746 -16.746 17.5581 12.5913 17.558 6.40472 GPRESSAVG: 4622400 0.830935 4.52883 13.0465 2.04743 -17.9239 17.3821 14.113 18.4279 7.31407 TIMING: 4622400 CPU: 14664, 0.00312199/step Wall: 14664, 0.00312199/step, 0.327462 hours remaining, 239.457031 MB of memory in use. ENERGY: 4622400 3970.5073 20553.0605 14395.3455 252.2619 -203181.6143 2370.1783 0.0000 0.0000 52338.5956 -109301.6653 300.7906 -161640.2609 -108933.7137 299.5091 -38.4431 -7.0421 760377.7030 -3.1563 -3.2596 PRESSURE: 4622600 -74.9489 -149.832 -60.8763 -149.832 60.8625 -59.0292 -60.8759 -59.029 369.756 GPRESSURE: 4622600 62.5038 -179.056 -84.7039 -45.3971 109.54 -49.0205 -145.601 1.36122 275.368 PRESSAVG: 4622600 -49.8014 -30.2186 11.0854 -30.2185 15.2523 43.1604 11.0853 43.1604 -1.0884 GPRESSAVG: 4622600 -47.7244 -32.5382 9.74541 -30.5661 14.3092 44.2647 10.3746 41.2196 -2.79742 TIMING: 4622600 CPU: 14664.6, 0.00313172/step Wall: 14664.6, 0.00313172/step, 0.328309 hours remaining, 239.457031 MB of memory in use. ENERGY: 4622600 3994.0208 20355.0268 14511.4405 234.2489 -203572.1159 2607.8324 0.0000 0.0000 52439.0479 -109430.4986 301.3679 -161869.5465 -109065.1745 299.7968 118.5565 149.1376 759055.3391 -11.8791 -12.0709 PRESSURE: 4622800 35.7086 -12.0086 129.719 -12.0094 93.688 -177.88 129.72 -177.879 362.227 GPRESSURE: 4622800 5.67817 -84.8685 187.372 -138.205 234.784 -213.009 146.37 1.85801 328.558 PRESSAVG: 4622800 -27.2363 -28.349 16.7946 -28.349 1.23428 -14.0224 16.7946 -14.0225 -24.2735 GPRESSAVG: 4622800 -30.1418 -28.4584 17.718 -26.9709 3.05574 -14.4076 15.1545 -12.47 -23.6649 TIMING: 4622800 CPU: 14665.2, 0.00313691/step Wall: 14665.2, 0.00313691/step, 0.328678 hours remaining, 239.457031 MB of memory in use. ENERGY: 4622800 3917.9147 20420.7023 14472.7003 254.6800 -203379.2800 2540.1543 0.0000 0.0000 52266.2700 -109506.8584 300.3750 -161773.1284 -109133.3661 299.7545 163.8745 189.6735 760077.5927 -16.7585 -16.9170 PRESSURE: 4623000 -271.365 11.159 159.514 11.1599 -197.743 0.0605528 159.515 0.0612865 -15.2008 GPRESSURE: 4623000 -160.921 -52.7364 215.079 -93.4313 -177.775 14.2368 57.9418 -41.4988 -84.7304 PRESSAVG: 4623000 -24.2504 -1.55651 -62.6839 -1.55644 -7.79709 -11.4849 -62.6839 -11.485 -10.2578 GPRESSAVG: 4623000 -23.4564 -0.448068 -60.6133 -2.99328 -8.18604 -13.3651 -62.7723 -10.82 -10.6441 TIMING: 4623000 CPU: 14665.8, 0.00314246/step Wall: 14665.8, 0.00314246/step, 0.329085 hours remaining, 239.457031 MB of memory in use. ENERGY: 4623000 3982.8400 20400.8330 14485.4863 261.6578 -203389.3186 2546.7244 0.0000 0.0000 52255.3664 -109456.4109 300.3123 -161711.7772 -109090.9229 299.4905 -161.4363 -141.1423 760838.7371 -14.1018 -14.0955 PRESSURE: 4623200 282.119 -162.001 9.47412 -162.001 -76.0638 124.204 9.47366 124.204 -486.023 GPRESSURE: 4623200 223.437 -195.696 128.149 -87.701 -5.57672 107.374 -169.507 131.296 -422.453 PRESSAVG: 4623200 -12.6822 2.52932 -47.5802 2.52927 4.85374 14.0705 -47.5801 14.0704 6.79462 GPRESSAVG: 4623200 -12.182 3.18688 -48.0596 3.52091 3.1391 16.0104 -46.8537 10.0771 7.86915 TIMING: 4623200 CPU: 14666.5, 0.00314378/step Wall: 14666.5, 0.00314378/step, 0.329049 hours remaining, 239.457031 MB of memory in use. ENERGY: 4623200 3972.7765 20609.5359 14434.3522 232.0885 -203513.4917 2463.3441 0.0000 0.0000 52223.3867 -109578.0079 300.1285 -161801.3946 -109213.8125 299.9515 -93.3224 -68.1977 761113.2772 -0.3446 -0.3912 PRESSURE: 4623400 -237.845 2.29283 86.6801 2.29269 -132.324 99.9987 86.68 99.9987 -404.506 GPRESSURE: 4623400 -169.761 -28.5934 113.384 -31.9711 -54.8169 100.452 29.1898 75.5553 -434.08 PRESSAVG: 4623400 -29.9483 -67.2357 2.13531 -67.2357 14.1388 2.84726 2.13534 2.84727 11.7595 GPRESSAVG: 4623400 -30.2232 -67.8045 -0.140102 -66.6496 15.1543 2.74578 1.19332 3.6865 11.528 TIMING: 4623400 CPU: 14667.1, 0.0031218/step Wall: 14667.1, 0.0031218/step, 0.326575 hours remaining, 239.457031 MB of memory in use. ENERGY: 4623400 3964.1973 20592.4886 14450.8981 257.2703 -203465.9044 2490.1171 0.0000 0.0000 52186.3595 -109524.5734 299.9157 -161710.9330 -109150.6100 299.5646 -258.2250 -219.5526 760849.9078 -1.3500 -1.1803 PRESSURE: 4623600 72.1317 -138.95 -276.946 -138.95 -89.1768 66.4953 -276.947 66.4956 -61.8392 GPRESSURE: 4623600 17.4611 -155.034 -293.09 -118.052 24.6579 61.2696 -238.414 134.805 -63.865 PRESSAVG: 4623600 3.4859 -35.1533 -1.63389 -35.1533 8.54289 -11.4096 -1.63395 -11.4095 18.2823 GPRESSAVG: 4623600 3.84657 -35.7762 -0.660108 -34.906 8.0469 -12.9472 0.916215 -8.68484 18.1364 TIMING: 4623600 CPU: 14667.7, 0.00312651/step Wall: 14667.7, 0.00312652/step, 0.326895 hours remaining, 239.457031 MB of memory in use. ENERGY: 4623600 3980.4480 20556.7984 14463.5312 245.5457 -203222.3636 2353.4747 0.0000 0.0000 52082.3967 -109540.1689 299.3182 -161622.5656 -109174.0070 299.7655 -26.2948 -7.2487 759786.2611 10.1037 10.0100 PRESSURE: 4623800 -229.641 35.8564 -27.2951 35.8563 -17.1919 -426.983 -27.2944 -426.983 185.095 GPRESSURE: 4623800 -166.059 -34.2455 25.4083 89.5202 -30.8022 -383.714 92.8672 -364.799 223.537 PRESSAVG: 4623800 36.2532 -35.155 -3.36863 -35.155 21.6528 -27.9066 -3.36862 -27.9067 0.609344 GPRESSAVG: 4623800 36.0996 -33.8899 -2.22852 -36.3369 21.8164 -26.0585 -5.6061 -31.3455 0.647737 TIMING: 4623800 CPU: 14668.3, 0.00313117/step Wall: 14668.3, 0.00313117/step, 0.327208 hours remaining, 239.457031 MB of memory in use. ENERGY: 4623800 4035.3870 20546.0792 14448.1413 231.1077 -203352.1523 2364.1929 0.0000 0.0000 52127.4719 -109599.7723 299.5773 -161727.2442 -109225.8446 299.6277 -20.5795 8.8917 761430.3456 19.5051 19.5212 PRESSURE: 4624000 415.203 90.5834 26.949 90.5837 -307.282 74.8287 26.948 74.8297 -54.3116 GPRESSURE: 4624000 424.006 195.291 13.4577 23.419 -214.28 125.319 -136.679 130.266 -59.7999 PRESSAVG: 4624000 52.1228 -17.3229 -21.5811 -17.3229 -30.0625 -67.6132 -21.5811 -67.6132 29.3709 GPRESSAVG: 4624000 53.0289 -19.0046 -22.8758 -15.087 -31.5932 -68.1117 -23.3113 -66.1343 29.8323 TIMING: 4624000 CPU: 14669, 0.00312188/step Wall: 14669, 0.00312188/step, 0.326063 hours remaining, 239.457031 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: 4624000 3969.4775 20598.3579 14439.5663 272.5297 -203372.8199 2463.4217 0.0000 0.0000 52217.0797 -109412.3871 300.0923 -161629.4667 -109055.2352 299.7576 17.8699 49.9754 759075.4259 17.1438 17.0893 PRESSURE: 4624200 57.7759 -112.081 33.1256 -112.08 87.6849 39.0663 33.1256 39.0662 -131.133 GPRESSURE: 4624200 185.271 -102.177 93.9073 -207.384 16.4749 -26.9584 -3.37192 -37.8936 -85.3867 PRESSAVG: 4624200 5.79058 2.53707 -22.0547 2.53702 -29.2938 -23.4261 -22.0547 -23.426 13.3705 GPRESSAVG: 4624200 4.73819 4.58614 -21.5138 2.3744 -28.299 -24.8205 -19.994 -23.7152 13.5045 TIMING: 4624200 CPU: 14669.6, 0.00312258/step Wall: 14669.6, 0.00312258/step, 0.325962 hours remaining, 239.457031 MB of memory in use. ENERGY: 4624200 4024.9290 20509.8353 14470.4548 230.1980 -203619.3722 2696.4114 0.0000 0.0000 52108.3286 -109579.2150 299.4673 -161687.5436 -109215.8817 299.4486 4.7760 38.7866 761602.2690 -3.3776 -3.3521 LDB: ============= START OF LOAD BALANCING ============== 14682 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14682 LDB: =============== DONE WITH MIGRATION ================ 14682 LDB: ============= START OF LOAD BALANCING ============== 14682.4 LDB: Largest compute 7060 load 0.033276 is 17.0% of average load 0.195406 LDB: Average compute 0.004389 is 2.2% of average load 0.195406 LDB: TIME 14682.4 LOAD: AVG 0.195406 MAX 0.216698 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.004 MB LDB: TIME 14682.4 LOAD: AVG 0.195406 MAX 0.216698 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.004 MB LDB: TIME 14682.4 LOAD: AVG 0.195406 MAX 0.216698 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.004 MB LDB: ============== END OF LOAD BALANCING =============== 14682.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14682.4 PRESSURE: 4624400 -104.356 -19.4667 194.795 -19.4666 -94.7894 287.542 194.795 287.542 -222.545 GPRESSURE: 4624400 -33.9095 -38.679 169.073 0.260793 -104.216 302.146 138.333 260.867 -208.386 PRESSAVG: 4624400 3.71603 -16.351 -19.9022 -16.3509 -36.7877 19.6305 -19.9022 19.6305 10.7907 GPRESSAVG: 4624400 4.15007 -14.8371 -19.1737 -17.7401 -37.0221 20.2072 -20.5224 19.0244 10.5353 TIMING: 4624400 CPU: 14670.2, 0.00321838/step Wall: 14670.2, 0.00321838/step, 0.335784 hours remaining, 241.832031 MB of memory in use. ENERGY: 4624400 4068.6450 20606.8645 14467.3530 248.9909 -203485.0966 2578.3530 0.0000 0.0000 52031.0190 -109483.8712 299.0230 -161514.8902 -109117.4357 299.1622 -140.5635 -115.5041 760495.8993 -7.4270 -7.4456 PRESSURE: 4624600 -235.325 -66.4482 21.3905 -66.4482 -81.6878 149.38 21.3908 149.38 39.2473 GPRESSURE: 4624600 -46.9302 45.4418 48.3145 -124.863 -153.3 125.48 83.8665 183.67 5.99908 PRESSAVG: 4624600 6.85616 -37.3321 68.6442 -37.332 -43.6831 18.0358 68.6443 18.0358 1.57425 GPRESSAVG: 4624600 6.74876 -36.9277 68.4891 -39.9889 -43.1899 18.3277 68.8483 18.8143 1.24413 TIMING: 4624600 CPU: 14670.9, 0.00314558/step Wall: 14670.9, 0.00314558/step, 0.328014 hours remaining, 241.902344 MB of memory in use. ENERGY: 4624600 4082.1058 20509.8389 14456.8047 248.0535 -203357.0679 2398.0123 0.0000 0.0000 52195.2205 -109467.0323 299.9666 -161662.2528 -109103.2397 299.4727 -92.5884 -64.7438 760394.8828 -11.7509 -11.7323 PRESSURE: 4624800 -156.345 103.547 8.81811 103.546 294.654 26.9967 8.81761 26.9965 -149.093 GPRESSURE: 4624800 -95.3166 208.298 92.0781 264.194 334.03 35.9795 124.183 20.9911 -161.901 PRESSAVG: 4624800 12.9547 44.846 -52.7057 44.846 22.7668 18.3065 -52.7057 18.3065 -7.3449 GPRESSAVG: 4624800 13.0293 45.3151 -52.5603 45.5071 23.6297 18.5757 -51.4571 18.2773 -7.80061 TIMING: 4624800 CPU: 14671.5, 0.00315879/step Wall: 14671.5, 0.00315879/step, 0.329216 hours remaining, 241.902344 MB of memory in use. ENERGY: 4624800 4073.0801 20527.4431 14437.5056 284.2834 -203842.2865 2746.1696 0.0000 0.0000 52291.2975 -109482.5072 300.5188 -161773.8047 -109115.3196 300.1441 -3.5947 25.6042 760399.2889 9.4589 9.6194 PRESSURE: 4625000 284.254 -20.1261 -166.541 -20.1267 8.13278 -1.0189 -166.54 -1.01914 29.9136 GPRESSURE: 4625000 207.254 77.2946 -162.268 -37.7457 61.2725 -32.9557 -162.484 -112.107 114.064 PRESSAVG: 4625000 17.5431 0.472285 -8.64999 0.472376 -14.0445 20.5532 -8.65 20.5531 10.8218 GPRESSAVG: 4625000 18.0914 -2.65242 -9.47089 3.67601 -15.5895 19.2695 -10.6355 20.4756 12.0015 TIMING: 4625000 CPU: 14672.1, 0.00315137/step Wall: 14672.1, 0.00315137/step, 0.328268 hours remaining, 241.902344 MB of memory in use. ENERGY: 4625000 3921.6868 20711.5715 14410.4137 241.6998 -203788.1490 2644.1271 0.0000 0.0000 52411.5702 -109447.0799 301.2100 -161858.6501 -109075.3808 300.0778 107.4336 127.5304 759790.7655 4.7735 4.8345 PRESSURE: 4625200 -71.57 17.2124 -104.924 17.2118 140.594 195.722 -104.924 195.722 118.763 GPRESSURE: 4625200 15.0603 30.0608 -160.216 13.6611 105.172 169.267 -57.8725 127.387 127.297 PRESSAVG: 4625200 40.266 -19.2072 -31.8009 -19.2072 19.7481 55.4602 -31.8009 55.4603 12.4544 GPRESSAVG: 4625200 40.5873 -19.5016 -31.5029 -21.648 19.7261 55.791 -30.3223 53.8758 12.0372 TIMING: 4625200 CPU: 14672.8, 0.00313857/step Wall: 14672.8, 0.00313857/step, 0.32676 hours remaining, 241.902344 MB of memory in use. ENERGY: 4625200 3997.1833 20462.6189 14489.2942 256.0878 -203614.6562 2567.6392 0.0000 0.0000 52241.8919 -109599.9410 300.2349 -161841.8329 -109235.9468 300.1373 62.5958 82.5098 759898.6203 24.1561 24.1169 PRESSURE: 4625400 373.951 -52.1996 289.166 -52.1998 -61.4086 238.955 289.165 238.955 61.5609 GPRESSURE: 4625400 268.428 -127.887 160.672 -21.4994 102.173 175.049 275.116 327.678 85.9708 PRESSAVG: 4625400 13.9221 -54.0696 -55.3501 -54.0696 1.37067 -2.56682 -55.3501 -2.56686 17.8613 GPRESSAVG: 4625400 13.0002 -52.8053 -57.0653 -53.6019 2.4856 -1.68125 -55.414 -1.98187 17.7201 TIMING: 4625400 CPU: 14673.4, 0.00311953/step Wall: 14673.4, 0.00311953/step, 0.324604 hours remaining, 241.902344 MB of memory in use. ENERGY: 4625400 3933.4584 20545.9749 14446.8899 245.1726 -203840.8318 2686.5029 0.0000 0.0000 52148.7973 -109834.0358 299.6999 -161982.8331 -109466.2287 299.1198 124.7012 152.1906 756948.6939 11.0513 11.0687 PRESSURE: 4625600 -363.838 -110.348 -102.038 -110.348 -11.6467 -148.114 -102.037 -148.114 -223.038 GPRESSURE: 4625600 -256.515 -127.028 -126.093 -201.103 -17.578 -180.721 -77.6228 -116.417 -224.014 PRESSAVG: 4625600 23.9574 -45.5592 -22.8087 -45.5591 16.4968 15.0037 -22.8087 15.0038 0.212338 GPRESSAVG: 4625600 24.1051 -45.7069 -20.4971 -45.1966 17.0526 14.6898 -23.9865 16.1355 -0.283939 TIMING: 4625600 CPU: 14674, 0.00315226/step Wall: 14674, 0.00315226/step, 0.327835 hours remaining, 241.902344 MB of memory in use. ENERGY: 4625600 4026.0235 20451.8146 14521.1606 256.5133 -203541.2420 2294.4263 0.0000 0.0000 52256.1949 -109735.1088 300.3171 -161991.3037 -109376.1493 299.3154 -199.5077 -166.0357 759603.0833 13.5555 13.6246 PRESSURE: 4625800 331.122 -179.514 -13.3879 -179.514 -158.962 -177.203 -13.3883 -177.202 -36.3395 GPRESSURE: 4625800 373.413 -277.779 -43.0529 -159.098 -109.119 -172.896 -67.7737 -38.2506 -54.0737 PRESSAVG: 4625800 -17.3025 4.33914 62.562 4.33912 10.9284 -18.9799 62.562 -18.98 -8.92859 GPRESSAVG: 4625800 -16.7522 3.69064 62.0887 3.31688 9.66266 -19.2054 62.7922 -19.9608 -8.80922 TIMING: 4625800 CPU: 14674.6, 0.0031219/step Wall: 14674.6, 0.0031219/step, 0.324504 hours remaining, 241.902344 MB of memory in use. ENERGY: 4625800 3992.0552 20607.2236 14435.2010 277.5922 -203837.1269 2685.3671 0.0000 0.0000 52159.6575 -109680.0304 299.7623 -161839.6878 -109295.7744 299.1540 45.2734 70.0735 762179.1950 -5.1009 -5.2996 PRESSURE: 4626000 -12.2631 -249.63 -52.898 -249.63 -37.3613 71.8656 -52.8983 71.8656 -100.58 GPRESSURE: 4626000 49.4205 -182.2 -88.8203 -192.418 4.29614 26.0465 50.3209 55.1787 -148.612 PRESSAVG: 4626000 -25.0714 -69.1498 48.8695 -69.1498 7.5767 50.4539 48.8695 50.454 -4.21058 GPRESSAVG: 4626000 -24.7508 -67.4156 48.5543 -67.8109 8.8511 51.1427 50.1967 51.0462 -6.15254 TIMING: 4626000 CPU: 14675.3, 0.00314647/step Wall: 14675.3, 0.00314648/step, 0.326884 hours remaining, 241.902344 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: 4626000 3974.1460 20640.9380 14473.8010 263.2487 -203850.5929 2687.3029 0.0000 0.0000 52116.2825 -109694.8738 299.5130 -161811.1563 -109323.9225 299.2619 -50.0682 -31.6319 759944.8461 -7.2351 -7.3507 PRESSURE: 4626200 22.8646 -122.128 203.883 -122.127 335.286 -220.485 203.882 -220.485 152.158 GPRESSURE: 4626200 92.4829 -188.37 89.9995 -135.677 363.717 -199.579 120.278 -194.646 130.737 PRESSAVG: 4626200 -22.772 -18.7195 -1.00185 -18.7195 -7.16907 -40.5099 -1.00188 -40.5099 6.37112 GPRESSAVG: 4626200 -23.6072 -18.8829 -2.72131 -21.2595 -8.27769 -41.2728 -1.13318 -41.8581 8.02566 TIMING: 4626200 CPU: 14675.9, 0.00313718/step Wall: 14675.9, 0.00313718/step, 0.325744 hours remaining, 241.902344 MB of memory in use. ENERGY: 4626200 4049.9917 20662.3213 14364.8698 271.3980 -203754.2748 2836.4420 0.0000 0.0000 52025.0707 -109544.1813 298.9888 -161569.2521 -109188.9648 299.6965 170.1030 195.6455 759725.7134 -7.8566 -7.9531 PRESSURE: 4626400 224.9 30.1964 262.592 30.1949 256.197 -64.7189 262.592 -64.7186 115.365 GPRESSURE: 4626400 219.949 29.6406 283.015 42.7879 334.185 -78.1974 204.136 -96.109 107.358 PRESSAVG: 4626400 30.9873 -26.2047 -23.0117 -26.2047 25.9771 -31.7478 -23.0117 -31.7479 -16.4224 GPRESSAVG: 4626400 30.7073 -25.0414 -20.9955 -24.4896 25.4266 -29.9802 -23.4141 -28.5799 -15.8822 TIMING: 4626400 CPU: 14676.5, 0.00315051/step Wall: 14676.5, 0.00315051/step, 0.326953 hours remaining, 241.902344 MB of memory in use. ENERGY: 4626400 3969.1863 20698.9453 14429.6262 229.1540 -203635.8867 2531.1813 0.0000 0.0000 52251.7012 -109526.0923 300.2912 -161777.7936 -109162.5251 300.2526 198.8210 220.4974 760201.8640 13.5140 13.4172 PRESSURE: 4626600 11.5776 -246.724 -8.6039 -246.723 -252.41 -69.7612 -8.60355 -69.7612 64.2034 GPRESSURE: 4626600 -41.7404 -301.924 -22.4364 -198.4 -174.338 -79.1728 -28.7465 -75.3857 114.299 PRESSAVG: 4626600 -27.2637 -52.9277 -26.9762 -52.9277 20.9399 -34.7209 -26.9762 -34.721 2.13039 GPRESSAVG: 4626600 -26.0672 -55.8163 -27.8041 -51.7697 21.5568 -34.5767 -26.532 -36.5545 0.603561 TIMING: 4626600 CPU: 14677.1, 0.00314821/step Wall: 14677.1, 0.00314821/step, 0.326539 hours remaining, 241.902344 MB of memory in use. ENERGY: 4626600 4025.7528 20609.0299 14479.9386 251.3680 -203251.5808 2513.1029 0.0000 0.0000 52025.6595 -109346.7291 298.9922 -161372.3886 -108988.2885 299.3913 -58.8763 -33.9266 761365.2438 -1.3978 -1.3023 PRESSURE: 4626800 29.0268 -124.726 52.8308 -124.725 35.1615 -174.455 52.831 -174.454 447.815 GPRESSURE: 4626800 134.382 -60.7012 51.2194 -157.533 49.4698 -94.6673 45.3348 -126.196 418.64 PRESSAVG: 4626800 8.12052 -29.9977 -2.69012 -29.9976 -17.6546 -22.9118 -2.69007 -22.9119 0.212066 GPRESSAVG: 4626800 7.61249 -28.0315 -1.09177 -30.7302 -18.0793 -24.0744 -3.95852 -23.6619 1.4299 TIMING: 4626800 CPU: 14677.8, 0.00314144/step Wall: 14677.8, 0.00314144/step, 0.325663 hours remaining, 241.902344 MB of memory in use. ENERGY: 4626800 3983.2691 20644.3744 14463.6822 248.3533 -203528.1868 2596.2052 0.0000 0.0000 52162.1807 -109430.1220 299.7768 -161592.3027 -109069.8556 299.9769 170.6678 200.8304 759994.6894 -3.1073 -3.0123 PRESSURE: 4627000 -157.487 14.9094 -13.6638 14.9102 -589.879 137.035 -13.6639 137.034 55.0913 GPRESSURE: 4627000 -110.407 6.74063 43.0665 -13.7106 -546.637 149.474 23.3423 169.523 51.1715 PRESSAVG: 4627000 29.6903 -19.5108 -5.65982 -19.5108 -30.0168 -6.04935 -5.65983 -6.04931 18.599 GPRESSAVG: 4627000 29.8216 -21.6571 -5.66204 -20.4896 -29.7854 -3.81734 -5.71159 -8.27754 17.853 TIMING: 4627000 CPU: 14678.4, 0.00314947/step Wall: 14678.4, 0.00314947/step, 0.32632 hours remaining, 241.902344 MB of memory in use. ENERGY: 4627000 3973.8515 20548.2802 14481.4873 242.4155 -203215.9825 2290.3688 0.0000 0.0000 52085.6429 -109593.9363 299.3369 -161679.5792 -109222.1857 299.7700 -230.7580 -201.9575 760114.9863 6.0908 5.9631 PRESSURE: 4627200 -8.18367 -139.464 80.537 -139.464 113.741 144.523 80.5363 144.524 -127.071 GPRESSURE: 4627200 -13.031 -60.4407 123.61 53.8195 163.143 142.406 41.2493 41.1538 -93.4057 PRESSAVG: 4627200 19.9881 -1.53692 -8.32126 -1.53693 -22.747 23.7065 -8.32128 23.7066 3.83 GPRESSAVG: 4627200 19.5801 0.582935 -9.20209 -0.28234 -24.4108 23.5429 -8.23473 24.1295 5.86772 TIMING: 4627200 CPU: 14679, 0.0031429/step Wall: 14679, 0.0031429/step, 0.325465 hours remaining, 241.902344 MB of memory in use. ENERGY: 4627200 4052.8152 20552.1658 14426.4744 258.4638 -203365.0794 2474.4695 0.0000 0.0000 52039.2180 -109561.4727 299.0701 -161600.6907 -109205.2292 299.3624 -7.1715 18.9021 759428.6361 0.3570 0.3457 PRESSURE: 4627400 167.092 95.4818 -162.663 95.4822 -29.2164 -91.5876 -162.662 -91.5866 418.621 GPRESSURE: 4627400 191.798 58.4705 -225.684 165.182 25.3708 32.1682 34.3002 -4.23174 419.005 PRESSAVG: 4627400 11.083 -25.3823 48.3434 -25.3824 -13.3709 26.3106 48.3434 26.3106 13.2609 GPRESSAVG: 4627400 10.5403 -28.2106 48.6267 -25.7954 -10.9575 24.2756 48.7095 28.4324 10.784 TIMING: 4627400 CPU: 14679.7, 0.00314493/step Wall: 14679.7, 0.00314493/step, 0.3255 hours remaining, 241.902344 MB of memory in use. ENERGY: 4627400 3974.2905 20588.4384 14434.2168 248.3835 -203973.2505 2788.6973 0.0000 0.0000 52362.4872 -109576.7368 300.9279 -161939.2239 -109214.4361 299.2111 185.4990 212.0580 759066.1061 3.6577 3.4556 PRESSURE: 4627600 -23.7914 -161.303 38.7895 -161.303 186.138 170.556 38.7882 170.556 278.07 GPRESSURE: 4627600 53.3517 -83.2152 15.3815 -187.143 214.913 53.6666 22.1524 159.408 258.093 PRESSAVG: 4627600 13.2338 -39.7468 52.6888 -39.7468 -39.8346 0.235726 52.6888 0.235748 21.2302 GPRESSAVG: 4627600 13.8692 -36.912 53.0556 -41.8314 -40.9432 0.0202772 51.1173 -1.66406 22.106 TIMING: 4627600 CPU: 14680.3, 0.003137/step Wall: 14680.3, 0.003137/step, 0.324505 hours remaining, 241.902344 MB of memory in use. ENERGY: 4627600 3995.9626 20456.8910 14443.8625 245.0521 -203827.4944 2737.6430 0.0000 0.0000 52504.1691 -109443.9140 301.7422 -161948.0832 -109076.2888 299.6644 146.8056 175.4524 760624.9641 -1.7902 -1.6560 PRESSURE: 4627800 -59.3555 16.4156 67.583 16.4156 13.0026 199.478 67.5827 199.479 174.678 GPRESSURE: 4627800 -4.29896 84.6415 130.571 9.52115 40.6893 156.399 47.298 125.861 172.186 PRESSAVG: 4627800 -0.902191 -13.1493 66.3753 -13.1494 -14.3469 -23.4416 66.3753 -23.4416 3.95562 GPRESSAVG: 4627800 -0.645406 -15.5151 66.7196 -10.6132 -13.1612 -22.3594 66.9773 -23.822 3.22853 TIMING: 4627800 CPU: 14680.9, 0.00312304/step Wall: 14680.9, 0.00312304/step, 0.322888 hours remaining, 241.902344 MB of memory in use. ENERGY: 4627800 4033.2945 20565.1156 14463.9860 229.4370 -203573.7630 2589.7543 0.0000 0.0000 52102.1194 -109590.0560 299.4316 -161692.1754 -109228.1397 299.6279 42.7749 69.5255 760547.5539 -3.7645 -3.5260 PRESSURE: 4628000 -214.075 -260.924 -161.831 -260.924 -63.1563 -65.8851 -161.831 -65.8845 301.723 GPRESSURE: 4628000 -204.281 -245.078 -168.31 -236.404 18.1407 15.225 -142.687 -19.5845 272.084 PRESSAVG: 4628000 -1.18878 -41.135 15.93 -41.135 -4.35179 27.1446 15.93 27.1445 0.396683 GPRESSAVG: 4628000 -1.02958 -39.3375 15.6228 -42.9424 -4.23129 27.4515 17.2795 29.3475 0.631142 TIMING: 4628000 CPU: 14681.5, 0.00315584/step Wall: 14681.5, 0.00315584/step, 0.326104 hours remaining, 241.902344 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: 4628000 4007.2044 20405.3042 14549.4869 260.9079 -203166.4213 2222.3321 0.0000 0.0000 52141.9656 -109579.2203 299.6606 -161721.1859 -109212.9299 299.3419 8.1640 28.6481 760643.6240 -1.7146 -1.5432 PRESSURE: 4628200 33.069 232.1 252.707 232.099 15.4092 157.61 252.706 157.61 4.1491 GPRESSURE: 4628200 63.8858 269.405 215.445 310.415 17.7227 154.232 191.8 95.0745 50.9168 PRESSAVG: 4628200 8.57981 -33.7494 7.36562 -33.7494 -1.45204 38.1455 7.36565 38.1455 -5.46563 GPRESSAVG: 4628200 9.06611 -32.4304 6.49866 -33.7666 -3.13019 38.4486 6.93202 36.2282 -5.0282 TIMING: 4628200 CPU: 14682.2, 0.00315169/step Wall: 14682.2, 0.00315169/step, 0.3255 hours remaining, 241.902344 MB of memory in use. ENERGY: 4628200 3923.3494 20584.3159 14458.0321 245.3758 -203990.1636 2761.2720 0.0000 0.0000 52294.9215 -109722.8970 300.5396 -162017.8184 -109359.2939 299.7120 17.5425 44.1751 759870.8375 0.5540 0.3026 LDB: ============= START OF LOAD BALANCING ============== 14694.6 LDB: ============== END OF LOAD BALANCING =============== 14694.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14694.6 LDB: ============= START OF LOAD BALANCING ============== 14694.9 LDB: Largest compute 7056 load 0.033786 is 17.3% of average load 0.195541 LDB: Average compute 0.004392 is 2.2% of average load 0.195541 LDB: TIME 14694.9 LOAD: AVG 0.195541 MAX 0.216736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 14694.9 LOAD: AVG 0.195541 MAX 0.216736 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: TIME 14694.9 LOAD: AVG 0.195541 MAX 0.216736 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.531 MB LDB: ============== END OF LOAD BALANCING =============== 14694.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14695 PRESSURE: 4628400 20.2767 -365.094 -150.867 -365.093 -219.04 59.233 -150.868 59.2339 2.55763 GPRESSURE: 4628400 26.7496 -289.067 -159.839 -284.448 -134.74 123.334 -138.836 41.7146 0.797602 PRESSAVG: 4628400 31.475 -41.2588 -29.6685 -41.2588 -23.1899 -15.2742 -29.6684 -15.2742 18.0819 GPRESSAVG: 4628400 31.5308 -42.8094 -28.3278 -42.8438 -21.9138 -15.0746 -30.8242 -14.6883 16.7956 TIMING: 4628400 CPU: 14682.8, 0.00320087/step Wall: 14682.8, 0.00320087/step, 0.330401 hours remaining, 240.605469 MB of memory in use. ENERGY: 4628400 3989.3678 20478.3458 14505.6282 269.1780 -203327.9106 2365.2335 0.0000 0.0000 52306.9090 -109413.2482 300.6085 -161720.1572 -109042.5292 300.0736 -65.4019 -35.7309 760718.5879 8.7890 8.8042 PRESSURE: 4628600 22.4769 -43.8449 101.838 -43.8453 -57.7262 130.6 101.838 130.6 207.281 GPRESSURE: 4628600 -4.48127 -12.954 66.8664 -83.8513 109.218 111.272 98.3973 223.951 153.073 PRESSAVG: 4628600 40.1349 -95.826 2.4853 -95.8261 -54.7839 20.085 2.48528 20.085 15.6943 GPRESSAVG: 4628600 38.5242 -94.7874 1.06644 -92.8014 -54.8791 18.9159 2.17388 22.1384 17.1538 TIMING: 4628600 CPU: 14683.5, 0.00317168/step Wall: 14683.5, 0.00317168/step, 0.327212 hours remaining, 240.808594 MB of memory in use. ENERGY: 4628600 3997.9143 20338.4032 14527.0482 245.3843 -203802.6325 2851.7533 0.0000 0.0000 52285.3422 -109556.7869 300.4846 -161842.1291 -109191.7322 299.4349 57.3437 85.9366 760462.5834 0.3485 0.2663 PRESSURE: 4628800 -156.429 -128.872 158.852 -128.872 -66.8258 156.515 158.852 156.515 2.11995 GPRESSURE: 4628800 -145.242 -187.063 257.828 -140.076 -78.39 132.747 159.048 114.914 82.16 PRESSAVG: 4628800 36.1972 1.44409 39.8179 1.44407 -34.0298 29.5386 39.8178 29.5386 24.0121 GPRESSAVG: 4628800 36.2721 2.27133 39.318 -1.96324 -34.1463 29.0606 40.2914 28.4652 24.3586 TIMING: 4628800 CPU: 14684.1, 0.00316025/step Wall: 14684.1, 0.00316025/step, 0.325857 hours remaining, 240.808594 MB of memory in use. ENERGY: 4628800 4048.0117 20485.3771 14477.1256 269.3013 -203650.9425 2623.6600 0.0000 0.0000 52163.3522 -109584.1146 299.7835 -161747.4668 -109227.7908 299.2592 -73.7118 -47.1574 761476.9843 8.7265 8.8281 PRESSURE: 4629000 -350.942 -39.9559 183.755 -39.9559 -44.0575 -27.3698 183.754 -27.3704 247.148 GPRESSURE: 4629000 -290.698 74.2702 166.181 -41.813 -94.0435 -35.9806 183.065 -5.02876 293.3 PRESSAVG: 4629000 22.1913 29.0325 -41.4217 29.0324 7.17878 5.40472 -41.4217 5.40477 13.5599 GPRESSAVG: 4629000 22.8173 27.9544 -40.5741 31.3169 5.17712 5.43055 -41.3387 6.28896 14.4718 TIMING: 4629000 CPU: 14684.7, 0.0031481/step Wall: 14684.7, 0.0031481/step, 0.324429 hours remaining, 240.808594 MB of memory in use. ENERGY: 4629000 4020.7450 20467.4208 14476.8518 233.3604 -203015.5267 2364.7981 0.0000 0.0000 51945.5889 -109506.7616 298.5320 -161452.3506 -109151.1850 299.4677 -49.2839 -30.4805 760758.3834 14.3100 14.1554 PRESSURE: 4629200 -290.373 -138.675 -78.3772 -138.675 -377.931 -7.02428 -78.3769 -7.02496 -383.451 GPRESSURE: 4629200 -232.718 -141.753 -84.1513 -135.538 -446.837 -50.1717 -163.045 37.7755 -294.01 PRESSAVG: 4629200 -14.8448 -48.7799 -47.4859 -48.7799 -5.30009 30.5151 -47.4859 30.5151 16.0337 GPRESSAVG: 4629200 -15.3767 -47.446 -47.5676 -50.5594 -3.31354 30.1631 -48.3802 29.5431 14.1259 TIMING: 4629200 CPU: 14685.3, 0.00314857/step Wall: 14685.3, 0.00314857/step, 0.324303 hours remaining, 240.808594 MB of memory in use. ENERGY: 4629200 4067.3854 20516.6562 14506.1120 229.8331 -202935.0327 2121.0005 0.0000 0.0000 51955.0382 -109539.0072 298.5863 -161494.0454 -109173.9922 299.5079 -350.5852 -324.5214 762413.5730 -1.3704 -1.5214 PRESSURE: 4629400 -248.39 17.5235 -142.905 17.5236 -32.7054 88.7638 -142.905 88.765 -139.591 GPRESSURE: 4629400 -160.463 -49.8443 -100.594 81.533 -54.3904 104.153 -203.296 -85.1357 -142.776 PRESSAVG: 4629400 -37.3633 -32.4349 -44.2207 -32.4349 0.651686 0.453247 -44.2207 0.453315 5.39071 GPRESSAVG: 4629400 -36.5574 -34.846 -43.646 -30.0525 -1.80117 0.263199 -44.726 0.0946429 7.46628 TIMING: 4629400 CPU: 14686, 0.00314533/step Wall: 14686, 0.00314533/step, 0.323794 hours remaining, 240.808594 MB of memory in use. ENERGY: 4629400 3983.1699 20475.0093 14532.7795 238.0959 -203186.4934 2193.0033 0.0000 0.0000 52121.9533 -109642.4824 299.5456 -161764.4357 -109280.9390 299.0870 -140.2287 -119.2099 759896.6018 -10.4403 -10.2974 PRESSURE: 4629600 125.909 -125.77 192.837 -125.77 179.643 32.5106 192.837 32.5095 552.274 GPRESSURE: 4629600 95.0892 -145.063 140.066 -123.328 284.483 40.9672 246.276 60.2119 568.11 PRESSAVG: 4629600 21.1345 -30.9221 -14.7399 -30.922 8.14421 -46.0055 -14.7399 -46.0055 15.8011 GPRESSAVG: 4629600 20.8076 -31.3229 -15.4924 -30.759 9.17598 -45.67 -14.5729 -44.7541 14.6672 TIMING: 4629600 CPU: 14686.6, 0.00313472/step Wall: 14686.6, 0.00313472/step, 0.322527 hours remaining, 240.808594 MB of memory in use. ENERGY: 4629600 3973.8820 20548.1201 14420.7173 250.8724 -203540.3570 2674.3907 0.0000 0.0000 51962.5972 -109709.7774 298.6298 -161672.3746 -109347.8610 299.2685 285.9418 315.8943 758803.9619 15.0266 14.8836 PRESSURE: 4629800 316.138 -89.6485 -69.1545 -89.6487 295.01 38.3343 -69.1533 38.3321 141.817 GPRESSURE: 4629800 385.49 -82.1103 16.1423 -182.663 275.358 61.5926 -79.6387 -57.0955 179.273 PRESSAVG: 4629800 3.05498 -44.3286 -4.61883 -44.3285 0.701774 62.4901 -4.61879 62.4901 -29.1569 GPRESSAVG: 4629800 0.472885 -42.2006 -3.91782 -46.8692 2.17392 63.2595 -4.52078 58.402 -27.7534 TIMING: 4629800 CPU: 14687.2, 0.00316889/step Wall: 14687.2, 0.00316889/step, 0.325868 hours remaining, 240.808594 MB of memory in use. ENERGY: 4629800 4004.1125 20485.7952 14563.8830 231.5480 -203467.8932 2609.2695 0.0000 0.0000 52021.1873 -109552.0977 298.9665 -161573.2850 -109188.4056 298.8263 250.9885 280.0403 758702.4648 -8.4667 -8.3689 PRESSURE: 4630000 332.482 -155.317 -318.54 -155.317 35.2872 12.214 -318.539 12.2152 -308.795 GPRESSURE: 4630000 310.628 -295.498 -285.739 -34.0858 122.179 -20.0113 -243.133 -120.049 -273.16 PRESSAVG: 4630000 44.2096 -17.0915 11.1173 -17.0915 -9.94683 -53.4344 11.1173 -53.4343 16.7522 GPRESSAVG: 4630000 46.6754 -17.1934 9.99965 -17.5341 -10.2568 -55.863 10.3463 -50.4261 15.0628 TIMING: 4630000 CPU: 14687.9, 0.00313934/step Wall: 14687.9, 0.00313934/step, 0.322654 hours remaining, 240.808594 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: 4630000 3946.3589 20403.6091 14503.8297 238.7514 -202994.1594 2188.0137 0.0000 0.0000 51861.9080 -109851.6886 298.0511 -161713.5965 -109496.8844 299.2226 19.6580 53.2160 759323.9423 17.0050 17.1604 PRESSURE: 4630200 -371.919 -49.4029 -8.82848 -49.4031 86.8813 -284.538 -8.82878 -284.538 37.444 GPRESSURE: 4630200 -258.704 -133.11 -6.77307 102.453 46.1632 -278.663 49.6414 -178.412 60.4377 PRESSAVG: 4630200 7.39257 -57.8872 -74.7516 -57.8872 -25.0446 -29.8514 -74.7517 -29.8514 10.5499 GPRESSAVG: 4630200 7.97465 -57.535 -74.5011 -55.897 -26.5207 -28.5286 -73.5314 -29.7063 11.428 TIMING: 4630200 CPU: 14688.5, 0.00313893/step Wall: 14688.5, 0.00313893/step, 0.322438 hours remaining, 240.808594 MB of memory in use. ENERGY: 4630200 3975.6494 20380.0613 14475.7310 240.9618 -203360.7310 2299.1960 0.0000 0.0000 52139.0833 -109850.0483 299.6440 -161989.1316 -109487.6959 298.8714 -82.5312 -50.7010 758641.7624 -2.3674 -2.3727 PRESSURE: 4630400 83.1298 -78.6645 78.5692 -78.6638 -160.937 -118.79 78.5694 -118.79 -11.8272 GPRESSURE: 4630400 106.14 -86.2301 34.297 -107.908 -127.601 -69.6154 32.56 -180.776 32.9214 PRESSAVG: 4630400 18.6882 -72.3772 -53.809 -72.3771 -8.79922 -37.7618 -53.8089 -37.7618 -4.57994 GPRESSAVG: 4630400 18.944 -72.913 -53.5087 -73.137 -8.28453 -37.727 -52.9764 -37.4566 -5.76939 TIMING: 4630400 CPU: 14689.1, 0.0031232/step Wall: 14689.1, 0.0031232/step, 0.320649 hours remaining, 240.808594 MB of memory in use. ENERGY: 4630400 4012.1787 20325.5274 14408.2370 244.0868 -203400.0716 2331.2851 0.0000 0.0000 52255.0990 -109823.6575 300.3108 -162078.7565 -109459.6475 299.3627 -29.8780 3.8201 758808.1280 1.7697 1.6300 PRESSURE: 4630600 -238.436 -9.58642 6.7734 -9.58597 45.6155 -109.312 6.77339 -109.312 286.133 GPRESSURE: 4630600 -211.04 -6.66579 14.6651 -37.0597 151.568 -130.825 -93.5961 131.459 240.393 PRESSAVG: 4630600 2.0873 -13.2991 -26.7252 -13.2992 5.19801 14.9192 -26.7251 14.9192 -7.58737 GPRESSAVG: 4630600 0.606629 -15.8766 -26.0028 -11.1026 6.45198 13.1731 -27.7304 13.4689 -7.37891 TIMING: 4630600 CPU: 14689.7, 0.00316159/step Wall: 14689.7, 0.00316159/step, 0.324414 hours remaining, 240.808594 MB of memory in use. ENERGY: 4630600 4026.1268 20569.7287 14416.6440 237.8999 -203646.1496 2451.8419 0.0000 0.0000 52200.4096 -109743.4986 299.9965 -161943.9083 -109379.5228 299.2227 31.1042 60.3070 759023.0484 -0.1007 -0.1068 PRESSURE: 4630800 31.8722 142.14 -85.3004 142.14 -539.691 193.027 -85.3008 193.027 215.893 GPRESSURE: 4630800 -0.492238 57.0279 -98.0836 189.385 -388.328 169.273 -31.3512 206.006 176.322 PRESSAVG: 4630800 20.5425 -29.7141 -38.6073 -29.7141 6.95126 -56.2783 -38.6073 -56.2782 -37.7825 GPRESSAVG: 4630800 20.4555 -25.7608 -39.3141 -31.1482 6.68504 -55.9984 -38.4882 -55.0129 -37.4359 TIMING: 4630800 CPU: 14690.4, 0.00317936/step Wall: 14690.4, 0.00317936/step, 0.326061 hours remaining, 240.808594 MB of memory in use. ENERGY: 4630800 3879.7943 20433.7723 14394.5980 250.3917 -203340.8742 2299.0652 0.0000 0.0000 52049.1518 -110034.1010 299.1272 -162083.2527 -109679.3119 298.6490 -97.3086 -70.8325 760713.1540 -3.4296 -3.4318 PRESSURE: 4631000 -286.004 -186.865 78.1437 -186.865 139.001 157.571 78.1436 157.571 31.6088 GPRESSURE: 4631000 -192.079 -125.479 78.3377 -190.544 118.499 109.044 44.1302 243.827 41.788 PRESSAVG: 4631000 -24.2015 -27.4117 -23.9299 -27.4117 23.7322 42.7578 -23.9298 42.7578 1.09483 GPRESSAVG: 4631000 -21.318 -29.1559 -24.785 -26.4137 21.5807 43.612 -23.9411 41.4601 0.902622 TIMING: 4631000 CPU: 14691, 0.00319546/step Wall: 14691, 0.00319546/step, 0.327535 hours remaining, 240.808594 MB of memory in use. ENERGY: 4631000 4028.5815 20464.0346 14406.5366 240.2586 -203022.3715 2101.7309 0.0000 0.0000 51969.3693 -109811.8599 298.6687 -161781.2292 -109456.2459 299.0696 -38.4647 -10.5974 761127.9040 0.2085 0.3884 PRESSURE: 4631200 53.5801 176.288 173.893 176.288 150.347 81.0662 173.893 81.066 -77.7767 GPRESSURE: 4631200 3.67155 130.616 38.4089 6.73796 185.011 150.328 80.5123 -22.9091 10.5409 PRESSAVG: 4631200 5.8449 -7.26625 -3.59601 -7.2663 -18.2068 4.70789 -3.59607 4.70789 4.25 GPRESSAVG: 4631200 3.69845 -7.6068 -2.07468 -6.0483 -16.8081 3.55247 -3.80903 7.09077 4.9646 TIMING: 4631200 CPU: 14691.6, 0.00314909/step Wall: 14691.6, 0.00314909/step, 0.322607 hours remaining, 240.808594 MB of memory in use. ENERGY: 4631200 3994.9794 20411.9852 14453.1473 241.3517 -203503.9986 2243.4002 0.0000 0.0000 52095.5604 -110063.5744 299.3939 -162159.1348 -109693.1958 298.7443 42.0502 66.4078 759859.2698 -2.7040 -2.7150 PRESSURE: 4631400 -163.65 -83.1935 218.965 -83.1944 177.741 23.9498 218.965 23.9487 139.916 GPRESSURE: 4631400 -83.2446 -42.2918 118.633 -213.713 138.004 -5.74058 232.089 16.7833 180.422 PRESSAVG: 4631400 15.8956 -20.7402 15.5626 -20.7402 20.359 6.61469 15.5627 6.61474 -11.4776 GPRESSAVG: 4631400 15.2198 -20.0753 14.5269 -21.3699 20.6055 8.2065 14.7405 4.27086 -11.2299 TIMING: 4631400 CPU: 14692.3, 0.0031623/step Wall: 14692.3, 0.0031623/step, 0.323784 hours remaining, 240.808594 MB of memory in use. ENERGY: 4631400 3870.5493 20460.5763 14391.7656 265.1467 -203622.8455 2494.7264 0.0000 0.0000 52194.0569 -109946.0243 299.9600 -162140.0812 -109580.7964 298.2334 51.3355 78.3937 759549.9606 8.2590 8.1985 PRESSURE: 4631600 372.601 -188.243 -107.46 -188.243 -143.703 -202.197 -107.46 -202.196 102.472 GPRESSURE: 4631600 409.487 -100.389 -32.9273 -177.886 -87.4229 -195.144 -124.432 -84.8261 104.855 PRESSAVG: 4631600 31.52 -95.6018 30.4834 -95.6018 -38.124 -15.5365 30.4834 -15.5364 -0.655138 GPRESSAVG: 4631600 32.7735 -97.2244 31.6185 -96.6107 -39.5985 -15.7598 31.3928 -14.4562 -0.798202 TIMING: 4631600 CPU: 14692.9, 0.0031535/step Wall: 14692.9, 0.0031535/step, 0.322708 hours remaining, 240.808594 MB of memory in use. ENERGY: 4631600 3982.3433 20481.1335 14430.3302 237.9274 -203661.4739 2540.4332 0.0000 0.0000 52074.9750 -109914.3313 299.2756 -161989.3063 -109563.9950 298.9578 110.4566 142.3063 760563.7912 -2.4197 -2.5411 PRESSURE: 4631800 387.47 -125.436 -32.8465 -125.437 213.448 -12.6385 -32.8467 -12.6377 140.839 GPRESSURE: 4631800 326.171 -53.55 -74.551 -107.308 175.659 7.27617 -24.2458 -62.6563 327.833 PRESSAVG: 4631800 58.7235 -45.2723 16.6379 -45.2723 -58.5708 -36.4309 16.6379 -36.4309 -1.29284 GPRESSAVG: 4631800 59.3375 -44.7823 16.1416 -45.4256 -58.6908 -35.2348 16.4244 -38.4393 -2.24574 TIMING: 4631800 CPU: 14693.5, 0.00314323/step Wall: 14693.5, 0.00314323/step, 0.321483 hours remaining, 240.808594 MB of memory in use. ENERGY: 4631800 3981.1168 20648.7237 14473.8163 247.1162 -203761.3150 2578.0196 0.0000 0.0000 51963.4814 -109869.0410 298.6348 -161832.5224 -109524.2144 299.0143 247.2523 276.5543 760191.0929 -0.3800 -0.5330 PRESSURE: 4632000 54.1642 21.3184 44.9453 21.3194 -33.626 -80.2141 44.9454 -80.2135 -194.622 GPRESSURE: 4632000 -73.8264 -11.378 136.087 -128.773 130.339 -67.8082 68.0222 -97.3016 -169.461 PRESSAVG: 4632000 18.2616 1.64966 -2.52969 1.64965 -17.6615 34.7821 -2.52973 34.7821 -0.990228 GPRESSAVG: 4632000 15.8098 0.379271 -1.69299 2.26173 -16.1347 33.9162 -3.90921 36.4078 -0.416748 TIMING: 4632000 CPU: 14694.2, 0.00313666/step Wall: 14694.2, 0.00313666/step, 0.320637 hours remaining, 240.808594 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: 4632000 3971.4680 20431.6077 14455.4721 250.6269 -203449.6637 2488.1302 0.0000 0.0000 52156.7465 -109695.6123 299.7455 -161852.3588 -109331.1158 299.7044 -58.0279 -37.6494 761282.1100 -0.1300 -0.2472 PRESSURE: 4632200 -136.704 -88.8638 -252.689 -88.8633 -44.8843 -15.9794 -252.689 -15.979 -355.676 GPRESSURE: 4632200 -113.777 -100.061 -274.984 -32.1436 -13.8862 5.80173 -16.4804 66.311 -331.037 PRESSAVG: 4632200 3.68504 29.9916 18.1809 29.9917 -30.0201 -2.34805 18.1809 -2.34803 30.2633 GPRESSAVG: 4632200 3.19522 32.3291 15.8129 29.4168 -30.2975 -2.00048 22.9098 -2.28228 30.765 TIMING: 4632200 CPU: 14694.8, 0.00312186/step Wall: 14694.8, 0.00312186/step, 0.31895 hours remaining, 240.808594 MB of memory in use. ENERGY: 4632200 3915.0764 20673.2077 14483.8186 249.3301 -202818.4371 1994.5147 0.0000 0.0000 51823.8905 -109678.5990 297.8326 -161502.4896 -109321.8514 299.4993 -179.0879 -152.9000 760791.1097 1.3094 1.2209 LDB: ============= START OF LOAD BALANCING ============== 14707.2 LDB: ============== END OF LOAD BALANCING =============== 14707.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14707.2 LDB: ============= START OF LOAD BALANCING ============== 14707.6 LDB: Largest compute 7038 load 0.034907 is 17.8% of average load 0.195673 LDB: Average compute 0.004362 is 2.2% of average load 0.195673 LDB: TIME 14707.6 LOAD: AVG 0.195673 MAX 0.21742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 14707.6 LOAD: AVG 0.195673 MAX 0.21742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: TIME 14707.6 LOAD: AVG 0.195673 MAX 0.21742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.645 MB LDB: ============== END OF LOAD BALANCING =============== 14707.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14707.6 PRESSURE: 4632400 73.4526 -72.9435 5.95824 -72.944 -218.18 62.331 5.95866 62.3306 -198.428 GPRESSURE: 4632400 90.4505 -56.5108 -72.1351 -23.9696 -219.356 -70.3698 8.22256 140.347 -118.667 PRESSAVG: 4632400 -35.1137 -38.6484 16.3144 -38.6483 32.637 19.1903 16.3144 19.1903 -0.169445 GPRESSAVG: 4632400 -34.0696 -40.1511 16.7562 -39.5691 32.3169 18.7764 12.7716 20.6865 -1.03628 TIMING: 4632400 CPU: 14695.4, 0.00320549/step Wall: 14695.4, 0.00320549/step, 0.327317 hours remaining, 240.878906 MB of memory in use. ENERGY: 4632400 3996.9713 20469.7527 14468.3088 239.9294 -203143.9171 2283.9104 0.0000 0.0000 52018.4572 -109666.5872 298.9508 -161685.0443 -109291.9919 299.4458 -114.3850 -82.5241 761583.1473 -0.8821 -0.9297 PRESSURE: 4632600 -335.092 -116.576 233.161 -116.577 44.9755 -113.131 233.161 -113.13 69.1177 GPRESSURE: 4632600 -276.44 -146.713 175.871 -158.164 144.439 -104.097 131.339 -112.264 -9.70033 PRESSAVG: 4632600 -0.192989 -29.6928 32.3265 -29.6927 -26.341 -5.03579 32.3264 -5.03581 -23.579 GPRESSAVG: 4632600 -0.460225 -30.5509 32.4798 -27.4478 -26.3066 -5.9146 34.1803 -5.89049 -23.5912 TIMING: 4632600 CPU: 14696.1, 0.0031407/step Wall: 14696.1, 0.0031407/step, 0.320526 hours remaining, 241.082031 MB of memory in use. ENERGY: 4632600 3980.4299 20428.6865 14443.3073 244.0641 -203193.2667 2440.9362 0.0000 0.0000 52187.4643 -109468.3786 299.9221 -161655.8428 -109088.3598 299.0242 -73.6661 -47.2340 760612.9785 -16.7043 -16.7860 PRESSURE: 4632800 -214.709 -78.789 87.6989 -78.7882 -363.143 -44.5715 87.6983 -44.5704 98.5744 GPRESSURE: 4632800 -205.694 152.895 123.351 0.798157 -214.585 -13.366 63.085 110.364 41.6293 PRESSAVG: 4632800 -59.9846 -44.8368 -4.05468 -44.8368 43.3565 30.0749 -4.05467 30.0749 -8.21502 GPRESSAVG: 4632800 -61.0595 -43.6192 -3.33769 -44.5392 43.6948 29.8467 -4.36374 29.4634 -7.69326 TIMING: 4632800 CPU: 14696.7, 0.00314061/step Wall: 14696.7, 0.00314061/step, 0.320342 hours remaining, 241.082031 MB of memory in use. ENERGY: 4632800 4017.7414 20409.4294 14451.2921 253.4067 -202699.9865 2106.6225 0.0000 0.0000 52095.3069 -109366.1875 299.3924 -161461.4944 -108995.1519 299.1669 -159.7593 -126.2164 762375.9080 -8.2810 -8.3526 PRESSURE: 4633000 -54.7515 -22.1808 -220.89 -22.1813 -182.534 379.328 -220.89 379.328 134.44 GPRESSURE: 4633000 -59.2785 -118.441 -292.013 -91.6325 -136.929 363.974 -146.984 300.485 167.488 PRESSAVG: 4633000 -32.634 -71.9099 21.626 -71.9099 30.5275 -16.954 21.6261 -16.954 12.6158 GPRESSAVG: 4633000 -32.2142 -72.2551 20.6001 -73.9873 31.0167 -16.8264 20.0068 -16.2024 11.2343 TIMING: 4633000 CPU: 14697.3, 0.00312599/step Wall: 14697.3, 0.00312599/step, 0.318678 hours remaining, 241.082031 MB of memory in use. ENERGY: 4633000 3992.9259 20661.8364 14365.9143 249.8387 -203418.2758 2524.4479 0.0000 0.0000 52257.6873 -109365.6251 300.3256 -161623.3125 -109006.2369 299.5151 -34.2816 -9.5733 761381.7229 3.5031 3.3456 PRESSURE: 4633200 152.467 41.7898 145.859 41.7886 185.192 -21.2121 145.859 -21.2114 40.8581 GPRESSURE: 4633200 285.171 32.4268 153.173 -103.643 21.003 107.034 121.292 -81.8922 144.348 PRESSAVG: 4633200 -13.6381 -27.8533 -33.2611 -27.8534 -24.0792 17.973 -33.2611 17.973 14.7992 GPRESSAVG: 4633200 -13.3516 -27.8021 -32.4179 -29.0689 -25.7599 19.1103 -31.9711 16.377 15.7463 TIMING: 4633200 CPU: 14697.9, 0.00313569/step Wall: 14697.9, 0.00313569/step, 0.319492 hours remaining, 241.082031 MB of memory in use. ENERGY: 4633200 4028.2809 20635.9910 14489.0156 240.5391 -203256.9915 2521.8674 0.0000 0.0000 52059.5370 -109281.7604 299.1869 -161341.2974 -108918.6358 299.8316 126.1725 150.1740 760661.1810 -7.6394 -7.7884 PRESSURE: 4633400 -389.828 29.6468 -56.7227 29.6467 111.774 -2.70366 -56.7222 -2.70409 -28.7361 GPRESSURE: 4633400 -343.434 -17.071 -75.9401 95.031 169.451 34.2976 2.63753 235.998 -64.0294 PRESSAVG: 4633400 30.7883 -15.0087 -17.6459 -15.0086 -9.31714 -15.8234 -17.6459 -15.8235 6.67063 GPRESSAVG: 4633400 31.4503 -13.4486 -18.9169 -13.0621 -10.633 -17.3107 -17.2441 -13.4965 6.79987 TIMING: 4633400 CPU: 14698.6, 0.00310437/step Wall: 14698.6, 0.00310437/step, 0.316128 hours remaining, 241.082031 MB of memory in use. ENERGY: 4633400 3958.8233 20700.4821 14392.4350 247.5132 -203468.6023 2441.1526 0.0000 0.0000 52345.3516 -109382.8444 300.8295 -161728.1961 -109031.6203 299.4790 -102.2632 -79.3375 759033.3737 9.3806 9.2057 PRESSURE: 4633600 388.971 126.141 27.3302 126.14 40.9758 63.493 27.3302 63.4922 -2.93277 GPRESSURE: 4633600 286.042 39.0537 -12.9546 51.7295 172.128 -11.7774 -5.59701 -18.8655 65.36 PRESSAVG: 4633600 11.5248 7.45263 7.0038 7.45267 -23.2919 30.148 7.0038 30.1481 22.9442 GPRESSAVG: 4633600 11.467 6.40661 7.44273 5.14276 -21.4918 28.7278 6.93325 28.3994 21.0573 TIMING: 4633600 CPU: 14699.2, 0.00313014/step Wall: 14699.2, 0.00313014/step, 0.318578 hours remaining, 241.082031 MB of memory in use. ENERGY: 4633600 3936.0124 20530.6726 14526.8626 260.1186 -203546.6845 2664.0858 0.0000 0.0000 51943.9355 -109684.9969 298.5225 -161628.9324 -109318.2559 299.3375 142.3379 174.5101 759726.5733 3.7257 3.6775 PRESSURE: 4633800 -356.637 1.67005 -22.9934 1.67011 -132.976 -35.265 -22.9939 -35.2647 -283.932 GPRESSURE: 4633800 -380.787 7.42791 -52.1656 10.8442 -65.2209 15.5417 -20.4246 -72.6799 -242.436 PRESSAVG: 4633800 -12.7634 -52.7486 41.5629 -52.7486 46.4247 -11.7517 41.5629 -11.7517 -6.67811 GPRESSAVG: 4633800 -13.2675 -53.7068 40.646 -52.1915 45.0218 -10.6636 41.3982 -9.84205 -5.09433 TIMING: 4633800 CPU: 14699.8, 0.00313397/step Wall: 14699.8, 0.00313397/step, 0.318794 hours remaining, 241.082031 MB of memory in use. ENERGY: 4633800 3981.9688 20688.6285 14446.4024 241.3134 -203226.7621 2252.2346 0.0000 0.0000 51896.2596 -109719.9547 298.2485 -161616.2144 -109363.0622 298.7902 -257.8480 -229.4815 761020.6608 8.9944 8.8867 PRESSURE: 4634000 -167.135 -226.768 68.4231 -226.769 -139.85 178.279 68.4248 178.278 -433.156 GPRESSURE: 4634000 -118.871 -269.751 55.1935 -157.528 -131.538 262.075 150.34 193.317 -401.291 PRESSAVG: 4634000 38.3467 31.6601 -0.391766 31.6601 -13.3703 28.2295 -0.391765 28.2296 2.0659 GPRESSAVG: 4634000 38.3831 33.0181 0.773569 31.1622 -11.8873 29.2047 -0.317288 28.9712 1.16746 TIMING: 4634000 CPU: 14700.4, 0.00313198/step Wall: 14700.4, 0.00313198/step, 0.318418 hours remaining, 241.082031 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: 4634000 4078.4091 20613.1327 14420.3412 260.8189 -203538.2217 2597.8542 0.0000 0.0000 52030.9431 -109536.7226 299.0225 -161567.6657 -109173.4631 299.2100 -246.7139 -217.2333 762709.3400 9.0141 9.2211 PRESSURE: 4634200 156.243 213.574 122.612 213.574 210.39 32.4534 122.611 32.4529 -166.044 GPRESSURE: 4634200 229.866 210.263 114.747 281.897 182.78 12.8296 189.76 -7.73935 -149.719 PRESSAVG: 4634200 4.00502 16.3008 5.54403 16.3008 12.988 -32.3092 5.54404 -32.3091 -1.55021 GPRESSAVG: 4634200 3.18447 14.3038 5.59791 19.3066 12.3705 -32.0536 4.05012 -34.6557 -0.231386 TIMING: 4634200 CPU: 14701.1, 0.00313984/step Wall: 14701.1, 0.00313984/step, 0.319043 hours remaining, 241.082031 MB of memory in use. ENERGY: 4634200 3995.1331 20512.1799 14516.5406 233.7491 -203688.8806 2910.6720 0.0000 0.0000 51904.5446 -109616.0613 298.2961 -161520.6059 -109258.8286 299.1135 66.8631 87.6422 761825.7115 5.1476 5.1079 PRESSURE: 4634400 -449.567 20.6236 168.411 20.6237 -336.847 154.906 168.412 154.905 -520.748 GPRESSURE: 4634400 -482.597 24.6743 165.218 13.3004 -245.572 159.702 103.467 100.348 -507.559 PRESSAVG: 4634400 6.28199 -64.2894 -11.1983 -64.2894 8.89238 -20.8688 -11.1983 -20.8688 15.4354 GPRESSAVG: 4634400 7.3946 -61.761 -12.5977 -67.9903 8.07815 -20.4086 -10.3137 -22.3704 15.0493 TIMING: 4634400 CPU: 14701.7, 0.00313467/step Wall: 14701.7, 0.00313467/step, 0.318343 hours remaining, 241.082031 MB of memory in use. ENERGY: 4634400 4012.0579 20578.9181 14538.9713 246.9364 -203373.4532 2175.7077 0.0000 0.0000 52103.6641 -109717.1978 299.4405 -161820.8619 -109352.4725 299.0764 -435.7206 -411.9093 761325.2300 10.2033 10.1740 PRESSURE: 4634600 -90.6479 70.2605 -65.3961 70.2599 92.6009 33.2882 -65.3962 33.2888 -158.1 GPRESSURE: 4634600 -19.5046 -55.3685 -21.1046 90.6443 79.6131 31.2902 -218.591 69.1523 -128.619 PRESSAVG: 4634600 38.5724 -5.70149 33.811 -5.70155 -15.9548 41.7991 33.8111 41.7991 6.01564 GPRESSAVG: 4634600 38.4361 -8.01788 34.8654 -3.21332 -14.6855 41.5661 33.624 44.1906 6.00119 TIMING: 4634600 CPU: 14702.3, 0.00312969/step Wall: 14702.3, 0.0031297/step, 0.317664 hours remaining, 241.082031 MB of memory in use. ENERGY: 4634600 4024.8760 20646.7986 14535.8661 234.9759 -203884.7693 2784.1193 0.0000 0.0000 51818.1318 -109840.0016 297.7995 -161658.1335 -109476.3979 298.6722 -52.0490 -22.8368 760571.2075 9.5444 9.9173 PRESSURE: 4634800 -182.354 106.827 -124.675 106.828 200.174 -112.13 -124.675 -112.129 259.135 GPRESSURE: 4634800 -128.426 48.2238 -184.603 -20.8061 236.616 -140.759 -156.196 -58.4077 249.635 PRESSAVG: 4634800 -6.85521 -46.4497 1.77805 -46.4497 2.07175 9.34378 1.77812 9.34373 -23.6669 GPRESSAVG: 4634800 -7.27862 -46.1449 1.98084 -47.6115 2.61971 8.58571 -0.217693 8.88224 -23.0907 TIMING: 4634800 CPU: 14703, 0.0031429/step Wall: 14703, 0.0031429/step, 0.31883 hours remaining, 241.082031 MB of memory in use. ENERGY: 4634800 3985.6645 20648.7304 14529.1957 249.2894 -203859.3528 2817.2535 0.0000 0.0000 51800.6459 -109828.5735 297.6990 -161629.2193 -109464.2424 298.4999 92.3182 119.2746 761969.2340 -9.4835 -9.2499 PRESSURE: 4635000 -433.082 -176.282 173.324 -176.282 -222.807 -68.195 173.324 -68.1945 386.356 GPRESSURE: 4635000 -280.622 -236.456 227.894 -122.824 -244.646 -181.054 106.876 -62.4979 328.433 PRESSAVG: 4635000 -19.1569 -73.0409 -34.6323 -73.0408 35.6364 54.5518 -34.6323 54.5518 -9.21201 GPRESSAVG: 4635000 -17.9954 -72.8806 -35.0747 -70.7954 34.1056 54.1323 -33.0028 53.1234 -9.6494 TIMING: 4635000 CPU: 14703.6, 0.00315052/step Wall: 14703.6, 0.00315052/step, 0.319428 hours remaining, 241.082031 MB of memory in use. ENERGY: 4635000 4041.8524 20457.3982 14510.1166 239.0617 -203423.7259 2463.5323 0.0000 0.0000 51790.7313 -109921.0335 297.6420 -161711.7648 -109556.0600 298.0308 -89.8446 -65.6117 761258.9709 2.4225 2.1536 PRESSURE: 4635200 98.2979 170.173 165.476 170.174 188.783 -46.0257 165.475 -46.0263 -127.827 GPRESSURE: 4635200 82.9743 81.755 133.579 134.617 270.879 60.0015 216.905 -17.0362 -120.531 PRESSAVG: 4635200 -18.0087 2.02479 18.22 2.02481 50.3484 -50.3129 18.22 -50.313 23.0856 GPRESSAVG: 4635200 -18.9621 2.02878 19.1855 0.17177 50.3213 -49.5002 18.0642 -49.0931 24.1002 TIMING: 4635200 CPU: 14704.2, 0.00313915/step Wall: 14704.2, 0.00313915/step, 0.318101 hours remaining, 241.082031 MB of memory in use. ENERGY: 4635200 3975.7575 20424.1536 14509.6397 246.9172 -203395.7057 2475.9434 0.0000 0.0000 51888.0882 -109875.2062 298.2016 -161763.2944 -109513.3169 298.2009 53.0847 77.7739 760962.3516 18.4751 18.4865 PRESSURE: 4635400 -111.079 -212.991 142.38 -212.99 134.195 -41.1546 142.381 -41.1537 -34.3566 GPRESSURE: 4635400 -49.5462 -146.492 181.857 -98.2618 205.671 9.76927 152.155 -15.7482 -106.275 PRESSAVG: 4635400 -40.2565 -62.8286 54.34 -62.8286 37.209 -5.19771 54.3401 -5.19777 -4.8042 GPRESSAVG: 4635400 -39.5676 -60.9082 53.5213 -61.8411 37.7871 -5.35593 54.472 -4.172 -6.46146 TIMING: 4635400 CPU: 14704.8, 0.0031271/step Wall: 14704.8, 0.0031271/step, 0.316705 hours remaining, 241.082031 MB of memory in use. ENERGY: 4635400 3947.2779 20475.1354 14506.6410 254.0883 -203260.4856 2198.6883 0.0000 0.0000 52217.9726 -109660.6821 300.0974 -161878.6546 -109291.5022 298.7895 -3.7469 16.6168 759514.3811 -2.6172 -2.7473 PRESSURE: 4635600 -267.034 -59.494 -255.782 -59.4944 -24.7385 140.878 -255.781 140.878 -85.3098 GPRESSURE: 4635600 -171.207 -55.0669 -218.866 -119.737 11.8119 188.776 -77.7698 38.5542 -135.425 PRESSAVG: 4635600 36.1733 -106.395 -30.848 -106.395 -10.3173 -12.4071 -30.8479 -12.4071 3.49634 GPRESSAVG: 4635600 34.7825 -107.412 -30.8486 -108.441 -9.36642 -14.0396 -30.8182 -11.6825 4.20308 TIMING: 4635600 CPU: 14705.5, 0.00315391/step Wall: 14705.5, 0.00315391/step, 0.319246 hours remaining, 241.082031 MB of memory in use. ENERGY: 4635600 3984.7096 20436.2620 14541.3607 232.5407 -203259.8095 2423.5912 0.0000 0.0000 52104.5525 -109536.7928 299.4456 -161641.3452 -109173.3091 299.4124 -125.6940 -98.2734 760909.7530 9.7841 9.8730 PRESSURE: 4635800 159.043 -46.9377 326.015 -46.9373 -77.7761 221.952 326.014 221.952 464.717 GPRESSURE: 4635800 252.691 51.5136 262.54 -117.948 -135.531 233.084 144.093 125.655 518.551 PRESSAVG: 4635800 41.0532 -51.9734 4.52476 -51.9733 -49.7055 25.3027 4.52479 25.3027 11.1226 GPRESSAVG: 4635800 40.8224 -52.4411 4.74286 -50.834 -50.1241 26.038 3.56481 22.6807 11.8587 TIMING: 4635800 CPU: 14706.1, 0.00313419/step Wall: 14706.1, 0.00313419/step, 0.317076 hours remaining, 241.082031 MB of memory in use. ENERGY: 4635800 3883.4157 20523.0007 14524.7884 249.8884 -203393.8019 2556.8567 0.0000 0.0000 52196.8433 -109459.0087 299.9760 -161655.8521 -109091.5747 298.9836 181.9948 211.9035 761115.2948 0.8234 0.8523 PRESSURE: 4636000 -390.695 107.262 80.8029 107.263 -62.6407 387.273 80.8029 387.272 144.422 GPRESSURE: 4636000 -349.424 115.718 157.114 37.2795 -16.176 290.958 42.1762 334.847 143.087 PRESSAVG: 4636000 12.8241 -26.9334 -7.82873 -26.9335 -8.38111 32.5333 -7.82872 32.5334 -7.24724 GPRESSAVG: 4636000 13.5382 -26.6652 -7.76703 -26.6183 -9.56317 33.7463 -8.54147 33.5809 -6.67881 TIMING: 4636000 CPU: 14706.7, 0.00311166/step Wall: 14706.7, 0.00311166/step, 0.314623 hours remaining, 241.082031 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: 4636000 3945.4325 20709.0372 14562.6202 259.7887 -203440.5972 2461.7181 0.0000 0.0000 52049.4845 -109452.5162 299.1291 -161502.0006 -109085.9907 299.2598 -102.9713 -74.1711 760936.2515 -0.9347 -0.9012 PRESSURE: 4636200 -41.2759 68.5808 209.925 68.581 -34.1949 71.9311 209.926 71.9307 122.271 GPRESSURE: 4636200 -48.4853 -30.5629 214.292 30.0495 -7.82943 43.5669 279.976 -25.9284 204.765 PRESSAVG: 4636200 44.8738 -11.1021 6.27217 -11.1022 -19.7332 26.7273 6.27215 26.7272 -10.6608 GPRESSAVG: 4636200 45.2812 -9.41213 6.12197 -11.6741 -20.2943 26.4099 6.50672 27.9353 -10.9351 TIMING: 4636200 CPU: 14707.3, 0.00315251/step Wall: 14707.3, 0.00315251/step, 0.318578 hours remaining, 241.082031 MB of memory in use. ENERGY: 4636200 4030.0314 20429.6177 14525.4798 240.9149 -203580.1370 2573.8739 0.0000 0.0000 52199.4653 -109580.7540 299.9910 -161780.2193 -109213.2276 299.9142 15.6000 49.4835 759746.7768 4.8266 4.6839 LDB: ============= START OF LOAD BALANCING ============== 14719.8 LDB: ============== END OF LOAD BALANCING =============== 14719.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14719.8 LDB: ============= START OF LOAD BALANCING ============== 14720.1 LDB: Largest compute 7077 load 0.033666 is 17.2% of average load 0.195527 LDB: Average compute 0.004382 is 2.2% of average load 0.195527 LDB: TIME 14720.1 LOAD: AVG 0.195527 MAX 0.215237 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.527 MB LDB: TIME 14720.1 LOAD: AVG 0.195527 MAX 0.215237 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: TIME 14720.1 LOAD: AVG 0.195527 MAX 0.215237 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.527 MB LDB: ============== END OF LOAD BALANCING =============== 14720.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14720.1 PRESSURE: 4636400 39.699 -20.0887 18.456 -20.0879 -261.514 87.6929 18.4559 87.692 -129.685 GPRESSURE: 4636400 28.5494 70.6942 -13.2302 -125.587 -101.521 93.8145 -58.1922 118.997 -195.485 PRESSAVG: 4636400 55.7828 -57.2391 -4.71883 -57.2391 -25.8358 -16.1171 -4.71879 -16.1171 5.82809 GPRESSAVG: 4636400 56.4385 -57.6554 -5.96956 -57.602 -25.6242 -15.4997 -3.92953 -18.361 5.44074 TIMING: 4636400 CPU: 14708, 0.00320232/step Wall: 14708, 0.00320232/step, 0.323435 hours remaining, 241.320312 MB of memory in use. ENERGY: 4636400 4060.1965 20560.2249 14466.0171 239.2189 -203834.3014 2825.9729 0.0000 0.0000 52147.8128 -109534.8583 299.6942 -161682.6711 -109178.8180 299.2572 -117.1669 -89.4855 761152.2643 11.9251 12.0850 PRESSURE: 4636600 -434.897 46.5528 -107.966 46.5531 71.8651 -167.017 -107.965 -167.018 195.368 GPRESSURE: 4636600 -331.405 5.0186 -51.3982 77.1079 73.9693 -89.9289 -45.5146 -65.4858 150.081 PRESSAVG: 4636600 56.0778 -16.6799 3.31082 -16.6799 -42.5127 -42.2303 3.31086 -42.2303 4.3505 GPRESSAVG: 4636600 55.7048 -17.0617 4.18273 -15.7258 -41.4461 -43.2674 4.8813 -39.657 3.70731 TIMING: 4636600 CPU: 14708.6, 0.00313926/step Wall: 14708.6, 0.00313926/step, 0.316891 hours remaining, 241.320312 MB of memory in use. ENERGY: 4636600 4073.9043 20528.9444 14550.0756 232.2736 -203381.7179 2432.9618 0.0000 0.0000 52136.3824 -109427.1758 299.6285 -161563.5582 -109063.4465 299.4852 -55.8878 -35.7849 761190.7471 5.9719 5.9886 PRESSURE: 4636800 169.469 35.637 -27.5442 35.6362 289.778 -143.355 -27.5441 -143.355 357.607 GPRESSURE: 4636800 259.673 64.0592 -20.3579 -54.014 209.811 -106.448 -24.1185 -139.273 432.47 PRESSAVG: 4636800 57.9475 24.6176 35.4495 24.6176 -45.665 -30.0342 35.4495 -30.0342 5.81873 GPRESSAVG: 4636800 58.467 23.7284 35.0201 24.2961 -47.0272 -29.9491 34.1146 -28.8996 6.77883 TIMING: 4636800 CPU: 14709.2, 0.00315532/step Wall: 14709.2, 0.00315532/step, 0.318337 hours remaining, 241.320312 MB of memory in use. ENERGY: 4636800 3952.6398 20522.4119 14454.6478 258.8368 -203227.8709 2541.1224 0.0000 0.0000 52289.3214 -109208.8908 300.5074 -161498.2122 -108843.3950 299.7135 272.2843 300.6513 762436.3236 6.0338 6.0729 PRESSURE: 4637000 -303.075 -1.31264 -15.0075 -1.31248 -241.278 84.0302 -15.0076 84.0297 29.6834 GPRESSURE: 4637000 -202.323 28.2619 -100.102 85.4883 -186.83 89.6056 2.03323 -11.7251 -45.9652 PRESSAVG: 4637000 34.4731 -34.7896 -16.9664 -34.7896 -20.753 -35.6399 -16.9663 -35.6399 11.1973 GPRESSAVG: 4637000 33.1455 -32.8939 -16.965 -35.2815 -18.1027 -34.2827 -16.6823 -36.4691 9.81597 TIMING: 4637000 CPU: 14709.9, 0.0031486/step Wall: 14709.9, 0.0031486/step, 0.317484 hours remaining, 241.320312 MB of memory in use. ENERGY: 4637000 4054.6396 20629.6740 14556.6646 245.9197 -202888.9861 2219.0404 0.0000 0.0000 52004.1520 -109178.8958 298.8686 -161183.0478 -108807.8758 299.9344 -171.5567 -145.0394 760971.3460 8.3058 8.2863 PRESSURE: 4637200 -194.541 137.136 67.3054 137.136 -17.0587 -142.366 67.3061 -142.367 19.2384 GPRESSURE: 4637200 -103.205 66.1872 44.5823 181.167 0.805207 -57.6337 -115.303 -142.642 -16.6507 PRESSAVG: 4637200 42.8565 3.18239 -37.0169 3.18234 -46.6824 -6.58762 -37.0168 -6.58766 -2.62542 GPRESSAVG: 4637200 43.7267 4.24894 -38.1252 4.57743 -47.988 -7.78518 -35.9699 -8.7345 -2.35501 TIMING: 4637200 CPU: 14710.5, 0.00313153/step Wall: 14710.5, 0.00313153/step, 0.315589 hours remaining, 241.320312 MB of memory in use. ENERGY: 4637200 4032.4864 20603.8479 14546.5077 253.4499 -203365.6053 2527.0608 0.0000 0.0000 51934.5745 -109467.6780 298.4687 -161402.2525 -109119.4263 299.7700 -64.1204 -39.6835 758461.0235 -2.1504 -2.2054 PRESSURE: 4637400 -11.3448 12.0304 90.7826 12.03 -81.7038 -353.507 90.7832 -353.506 -281.122 GPRESSURE: 4637400 68.7279 70.7425 49.8522 -110.544 -139.753 -246.746 119.838 -310.28 -217.477 PRESSAVG: 4637400 27.9004 -30.5117 -12.4567 -30.5118 7.05037 -17.2421 -12.4567 -17.2422 14.9539 GPRESSAVG: 4637400 28.2678 -31.2907 -13.0127 -31.9144 6.84101 -15.2057 -12.8125 -17.8546 14.7251 TIMING: 4637400 CPU: 14711.1, 0.00315123/step Wall: 14711.1, 0.00315123/step, 0.317399 hours remaining, 241.320312 MB of memory in use. ENERGY: 4637400 4064.9834 20348.3406 14460.3761 268.7366 -203196.8404 2515.2671 0.0000 0.0000 52072.5193 -109466.6174 299.2615 -161539.1367 -109090.9630 299.4910 -124.7237 -96.1674 761435.5991 16.6349 16.6113 PRESSURE: 4637600 -248.891 27.5008 236.604 27.5011 225.327 -69.293 236.604 -69.2933 264.134 GPRESSURE: 4637600 -206.258 53.9079 160.881 24.7077 286.177 -147.492 288.533 -26.287 248.515 PRESSAVG: 4637600 -15.4283 9.61423 -42.2754 9.61422 48.8068 -34.2931 -42.2754 -34.2932 0.144413 GPRESSAVG: 4637600 -16.9872 8.22307 -41.3814 10.2974 49.0497 -36.6899 -40.233 -31.9528 1.30256 TIMING: 4637600 CPU: 14711.8, 0.00313634/step Wall: 14711.8, 0.00313634/step, 0.315725 hours remaining, 241.320312 MB of memory in use. ENERGY: 4637600 3978.0728 20459.8859 14488.4145 238.2346 -203248.5341 2496.4740 0.0000 0.0000 52072.9107 -109514.5416 299.2637 -161587.4523 -109150.7217 298.9949 80.1900 109.4781 760642.3930 11.1743 11.1217 PRESSURE: 4637800 -303.313 286.043 -11.591 286.043 142.67 195.851 -11.5907 195.852 -230.101 GPRESSURE: 4637800 -289.904 246.404 -8.59569 248.96 175.542 245.308 55.4363 18.4682 -192.562 PRESSAVG: 4637800 -19.7325 -6.10083 3.74881 -6.10081 3.13717 18.8575 3.74886 18.8575 -7.52308 GPRESSAVG: 4637800 -19.7765 -6.47551 3.35939 -4.20552 3.66757 20.5143 2.86433 16.9206 -7.82683 TIMING: 4637800 CPU: 14712.4, 0.00312057/step Wall: 14712.4, 0.00312057/step, 0.313964 hours remaining, 241.320312 MB of memory in use. ENERGY: 4637800 3988.2912 20496.5015 14463.7879 233.2072 -203421.0111 2549.8809 0.0000 0.0000 52176.4894 -109512.8531 299.8590 -161689.3426 -109160.3488 299.6754 -130.2483 -102.3078 760847.3306 -8.0395 -7.9786 PRESSURE: 4638000 -373.978 183.452 -67.0921 183.452 -42.8565 -76.7613 -67.0925 -76.7608 -219.838 GPRESSURE: 4638000 -306.382 242.587 -62.5865 125.69 -1.58745 -111.171 25.7424 -20.9056 -234.128 PRESSAVG: 4638000 -13.2092 -1.41457 -37.276 -1.41453 -1.15206 -41.2756 -37.276 -41.2755 -19.8999 GPRESSAVG: 4638000 -13.9545 -2.09879 -35.53 -3.72648 -1.02071 -44.3134 -38.0078 -40.5251 -19.9443 TIMING: 4638000 CPU: 14713, 0.0031193/step Wall: 14713, 0.0031193/step, 0.313663 hours remaining, 241.320312 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: 4638000 4061.0313 20430.9289 14481.5414 251.1287 -202805.6852 2135.4565 0.0000 0.0000 52003.8761 -109441.7223 298.8670 -161445.5984 -109093.5353 299.2092 -212.2242 -180.6993 761543.3555 -11.4204 -11.6398 PRESSURE: 4638200 185.596 -61.3535 -159.46 -61.3536 -202.77 134.727 -159.461 134.726 -121.236 GPRESSURE: 4638200 154.53 -49.4933 -249.038 -103.156 -125.28 122.007 -9.47829 39.0301 -75.4298 PRESSAVG: 4638200 25.3799 4.72483 -7.34894 4.72478 -11.7025 9.93049 -7.34898 9.93045 3.08111 GPRESSAVG: 4638200 26.486 5.07455 -8.52688 6.27677 -12.6702 14.1675 -6.11161 8.64803 2.6653 TIMING: 4638200 CPU: 14713.6, 0.00312311/step Wall: 14713.6, 0.00312311/step, 0.313873 hours remaining, 241.320312 MB of memory in use. ENERGY: 4638200 4031.4268 20622.1058 14566.5195 265.1611 -203056.6532 2285.2000 0.0000 0.0000 51589.5014 -109696.7386 296.4856 -161286.2400 -109351.6785 299.1848 -46.1366 -15.3933 760147.4207 5.5862 5.4937 PRESSURE: 4638400 -65.0673 -57.546 247.224 -57.5461 29.4914 -135.303 247.225 -135.303 -280.101 GPRESSURE: 4638400 -50.2781 -18.2176 209.805 -29.9842 87.1032 -169.624 201.965 -198.662 -273.387 PRESSAVG: 4638400 3.20558 -33.512 -19.064 -33.512 -45.0853 32.714 -19.064 32.7141 -1.99916 GPRESSAVG: 4638400 2.93072 -34.4595 -18.2926 -34.0295 -45.0625 29.4455 -19.1871 33.8527 -1.87361 TIMING: 4638400 CPU: 14714.3, 0.00311964/step Wall: 14714.3, 0.00311964/step, 0.31335 hours remaining, 241.320312 MB of memory in use. ENERGY: 4638400 3967.0926 20401.3217 14535.3403 251.0564 -203056.5625 2207.7594 0.0000 0.0000 52066.0373 -109627.9549 299.2242 -161693.9922 -109256.1730 298.9960 -105.2258 -78.8540 761645.1261 -14.6263 -14.6685 PRESSURE: 4638600 23.8537 -62.8381 -94.6569 -62.8379 -7.79833 132.408 -94.6572 132.408 -187.809 GPRESSURE: 4638600 34.376 -65.1293 -32.4915 19.3769 6.00554 132.068 -77.6265 167.556 -133.539 PRESSAVG: 4638600 20.7245 -21.9638 -24.6027 -21.9638 -0.928263 15.0643 -24.6027 15.0642 -9.21206 GPRESSAVG: 4638600 20.5478 -19.528 -25.1885 -21.9156 -1.45262 15.8505 -27.9737 13.1303 -9.43079 TIMING: 4638600 CPU: 14714.9, 0.00312184/step Wall: 14714.9, 0.00312184/step, 0.313398 hours remaining, 241.320312 MB of memory in use. ENERGY: 4638600 4021.8449 20360.8850 14538.0013 264.6551 -202997.5628 2275.4438 0.0000 0.0000 51910.9426 -109625.7901 298.3329 -161536.7327 -109265.3982 299.0871 -57.2513 -31.0526 760580.7267 3.5281 3.2215 PRESSURE: 4638800 -139.311 -231.556 132.66 -231.556 -205.928 -13.0342 132.661 -13.0352 -32.5356 GPRESSURE: 4638800 -181.659 -239.736 96.72 -105.917 -115.088 -38.3062 131.621 4.90833 10.4346 PRESSAVG: 4638800 50.7973 -53.5309 8.21289 -53.5308 -48.8108 12.6961 8.21292 12.6962 -0.838324 GPRESSAVG: 4638800 51.2306 -56.3779 8.91828 -53.6876 -49.8989 13.6674 10.4673 14.626 -0.240357 TIMING: 4638800 CPU: 14715.5, 0.00313571/step Wall: 14715.5, 0.00313571/step, 0.314616 hours remaining, 241.320312 MB of memory in use. ENERGY: 4638800 3962.3410 20428.4577 14528.1073 239.0234 -203157.2391 2380.8355 0.0000 0.0000 51904.6800 -109713.7941 298.2969 -161618.4741 -109353.1901 299.2241 -125.9249 -95.4375 762519.9325 0.3827 0.3638 PRESSURE: 4639000 47.3165 -189.457 -85.7502 -189.456 -245.367 -90.1716 -85.7503 -90.1711 120.741 GPRESSURE: 4639000 -2.12555 -360.064 -109.857 -115.362 -181.27 -82.0889 -39.6504 -95.415 163.236 PRESSAVG: 4639000 54.1331 -65.6736 -29.7287 -65.6736 -70.8192 28.4523 -29.7287 28.4523 19.9714 GPRESSAVG: 4639000 52.4705 -64.0239 -29.5995 -64.6196 -69.2024 27.1816 -31.8586 28.1824 19.4111 TIMING: 4639000 CPU: 14716.1, 0.00313432/step Wall: 14716.1, 0.00313432/step, 0.314302 hours remaining, 241.320312 MB of memory in use. ENERGY: 4639000 3861.1061 20646.9695 14485.9333 256.9163 -203185.0337 2477.3067 0.0000 0.0000 52000.2837 -109456.5181 298.8463 -161456.8018 -109100.6933 299.2080 -25.7699 -6.7199 762809.9832 1.0951 0.8931 PRESSURE: 4639200 -151.315 -10.7659 -148.023 -10.7654 335.402 38.3894 -148.023 38.3903 -179.628 GPRESSURE: 4639200 -59.0451 107.233 -181.135 -61.4626 262.222 25.6723 -114.52 49.8379 -108.426 PRESSAVG: 4639200 21.1893 -54.3933 -20.9022 -54.3933 -42.614 3.13436 -20.9021 3.13433 8.90196 GPRESSAVG: 4639200 22.6368 -53.7444 -21.5404 -54.5837 -43.7739 3.45809 -18.2378 2.54752 8.73036 TIMING: 4639200 CPU: 14716.8, 0.00312198/step Wall: 14716.8, 0.00312198/step, 0.312892 hours remaining, 241.320312 MB of memory in use. ENERGY: 4639200 4000.2223 20451.6013 14471.4832 237.2430 -203123.3475 2360.1946 0.0000 0.0000 52126.8127 -109475.7904 299.5735 -161602.6031 -109115.2552 299.4628 1.4864 31.5835 761461.5071 -4.1743 -4.1356 PRESSURE: 4639400 -217.102 -11.9327 114.501 -11.9322 150.801 -87.9518 114.502 -87.9519 -130.928 GPRESSURE: 4639400 -141.54 -114.559 114.304 -75.9997 198.074 -110.745 83.156 28.8202 -171.965 PRESSAVG: 4639400 -56.4837 -38.1418 -16.2407 -38.1418 16.165 53.5905 -16.2407 53.5904 7.22221 GPRESSAVG: 4639400 -55.9935 -38.9606 -15.9141 -38.8251 15.2837 55.1154 -16.92 52.3932 7.95972 TIMING: 4639400 CPU: 14717.4, 0.00315425/step Wall: 14717.4, 0.00315425/step, 0.315951 hours remaining, 241.320312 MB of memory in use. ENERGY: 4639400 3920.9181 20454.8772 14475.6164 249.0940 -203263.3650 2371.4705 0.0000 0.0000 52284.5684 -109506.8204 300.4801 -161791.3888 -109140.2659 299.4883 -65.7431 -38.4772 762425.4357 -11.0322 -10.9167 PRESSURE: 4639600 -230.434 -136.453 118.261 -136.452 -25.3048 234.928 118.259 234.927 177.248 GPRESSURE: 4639600 -233.094 -78.5184 159.266 -109.396 110.76 238.59 5.4175 323.364 117.382 PRESSAVG: 4639600 -37.648 -60.114 -30.5292 -60.114 9.88955 16.1725 -30.5292 16.1726 3.42935 GPRESSAVG: 4639600 -38.3546 -61.0584 -30.0384 -58.3986 11.4068 14.8657 -31.2593 18.5236 3.03202 TIMING: 4639600 CPU: 14718, 0.00313324/step Wall: 14718, 0.00313324/step, 0.313672 hours remaining, 241.320312 MB of memory in use. ENERGY: 4639600 3983.1831 20642.5027 14443.8915 244.5687 -203168.4850 2319.4635 0.0000 0.0000 52009.9364 -109524.9391 298.9018 -161534.8755 -109165.1145 299.0585 -26.1637 -1.6506 761495.4114 -8.1097 -7.9719 PRESSURE: 4639800 166.137 -69.7233 262.925 -69.7225 -149.687 81.8732 262.925 81.8743 311.101 GPRESSURE: 4639800 245.706 -94.4871 209.214 -137.815 -142.087 46.2632 233.682 118.595 301.624 PRESSAVG: 4639800 6.02274 -57.0896 29.4201 -57.0897 -10.0516 -29.3287 29.42 -29.3287 10.8692 GPRESSAVG: 4639800 5.61952 -55.0446 30.1009 -58.5204 -11.5411 -29.25 29.8341 -31.083 11.9362 TIMING: 4639800 CPU: 14718.6, 0.00314242/step Wall: 14718.6, 0.00314242/step, 0.314416 hours remaining, 241.320312 MB of memory in use. ENERGY: 4639800 3928.2044 20528.8746 14499.3784 256.6259 -203717.3462 2806.1969 0.0000 0.0000 51935.7534 -109762.3125 298.4755 -161698.0659 -109399.0986 299.0920 109.1837 135.0810 761268.0076 2.2801 2.0049 PRESSURE: 4640000 477.691 -91.9208 -117.857 -91.9218 310.567 -181.484 -117.858 -181.486 68.1554 GPRESSURE: 4640000 407.844 -135.208 -163.211 -3.63118 419.193 -187.912 -105.278 -107.961 123.047 PRESSAVG: 4640000 -12.5277 -14.0809 -12.0735 -14.0808 -1.87492 -50.308 -12.0735 -50.308 20.4068 GPRESSAVG: 4640000 -11.8354 -16.638 -12.9889 -12.9056 -0.864127 -51.3315 -12.2872 -48.1453 19.2696 TIMING: 4640000 CPU: 14719.3, 0.00315197/step Wall: 14719.3, 0.00315197/step, 0.315197 hours remaining, 241.320312 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: 4640000 3981.2710 20420.1943 14425.1554 274.8372 -203733.1857 3036.3178 0.0000 0.0000 52093.3353 -109502.0747 299.3811 -161595.4100 -109136.7375 299.0742 285.4712 316.6946 762372.8296 2.0014 2.1900 PRESSURE: 4640200 -147.134 13.7788 -241.282 13.78 -249.232 -254.766 -241.282 -254.766 -109.815 GPRESSURE: 4640200 -191.091 -107.521 -313.861 -45.9434 -125.421 -153.728 -94.1077 -310.162 -111.28 PRESSAVG: 4640200 50.9183 -28.4782 -37.4485 -28.4782 -24.6424 -20.9733 -37.4486 -20.9733 -4.42182 GPRESSAVG: 4640200 50.3645 -27.1159 -37.7684 -30.9404 -24.3393 -20.1686 -36.2263 -23.3096 -4.25229 TIMING: 4640200 CPU: 14719.9, 0.00314638/step Wall: 14719.9, 0.00314638/step, 0.314463 hours remaining, 241.320312 MB of memory in use. ENERGY: 4640200 3992.0970 20533.4993 14473.2577 228.2727 -203366.7580 2488.2220 0.0000 0.0000 52009.9437 -109641.4654 298.9019 -161651.4092 -109271.9967 299.4706 -168.7269 -142.5976 761841.6316 7.2847 7.2576 LDB: ============= START OF LOAD BALANCING ============== 14732.4 LDB: ============== END OF LOAD BALANCING =============== 14732.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14732.4 LDB: ============= START OF LOAD BALANCING ============== 14732.7 LDB: Largest compute 7058 load 0.033666 is 17.2% of average load 0.195498 LDB: Average compute 0.004389 is 2.2% of average load 0.195498 LDB: TIME 14732.7 LOAD: AVG 0.195498 MAX 0.213882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.309 MB LDB: TIME 14732.7 LOAD: AVG 0.195498 MAX 0.213882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 14732.7 LOAD: AVG 0.195498 MAX 0.213882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 14732.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14732.7 PRESSURE: 4640400 -138.942 227.772 -85.9896 227.772 -178.183 12.3398 -85.9909 12.3393 -251.274 GPRESSURE: 4640400 -111.69 210.085 -41.0426 243.771 -85.4924 -50.1349 -137.289 -22.5426 -276.464 PRESSAVG: 4640400 26.9303 -47.1455 -8.98557 -47.1456 16.1072 14.5547 -8.98557 14.5547 2.66272 GPRESSAVG: 4640400 26.3701 -48.0261 -7.78331 -45.0014 16.5962 12.7394 -9.60008 16.4403 2.60834 TIMING: 4640400 CPU: 14720.5, 0.0032038/step Wall: 14720.5, 0.0032038/step, 0.320024 hours remaining, 241.566406 MB of memory in use. ENERGY: 4640400 3978.0792 20539.3732 14452.7433 240.3189 -203646.6716 2315.0613 0.0000 0.0000 52335.0869 -109786.0088 300.7705 -162121.0957 -109414.1339 299.0220 -189.4664 -157.8821 760183.4568 15.2334 15.1916 PRESSURE: 4640600 17.5973 66.1902 -40.1958 66.19 -102.644 100.455 -40.1956 100.454 196.371 GPRESSURE: 4640600 83.0703 30.9979 -63.8664 109.868 -111.586 83.6865 -89.5098 56.7667 226.153 PRESSAVG: 4640600 62.3152 -18.1139 -31.4405 -18.1139 -42.6266 10.7098 -31.4405 10.7099 -33.0972 GPRESSAVG: 4640600 62.6983 -18.9798 -35.2698 -18.9536 -43.7899 11.6062 -31.3815 12.4635 -32.1645 TIMING: 4640600 CPU: 14721.2, 0.00315183/step Wall: 14721.2, 0.00315183/step, 0.314657 hours remaining, 241.769531 MB of memory in use. ENERGY: 4640600 3993.5035 20582.2341 14463.6169 230.2027 -203487.3962 2465.9553 0.0000 0.0000 51914.6634 -109837.2203 298.3543 -161751.8837 -109479.5494 299.1571 37.1083 65.8790 761477.5337 -4.4695 -4.4187 PRESSURE: 4640800 -368.826 -45.2631 -52.6607 -45.2624 -101.03 78.7103 -52.6603 78.71 76.2292 GPRESSURE: 4640800 -323.213 151.768 -103.399 -88.1226 11.2054 1.10451 3.87202 -27.0882 3.91105 PRESSAVG: 4640800 -19.3635 -17.968 -0.728869 -17.968 16.1056 34.2062 -0.72891 34.2062 -21.462 GPRESSAVG: 4640800 -18.0543 -15.6046 2.48956 -18.35 15.9699 31.282 -0.730701 33.8828 -22.462 TIMING: 4640800 CPU: 14721.8, 0.00314284/step Wall: 14721.8, 0.00314284/step, 0.313586 hours remaining, 241.769531 MB of memory in use. ENERGY: 4640800 4069.1159 20325.4143 14484.1770 260.0740 -203365.1568 2234.2579 0.0000 0.0000 52278.3343 -109713.7834 300.4443 -161992.1177 -109346.9589 299.0359 -131.2088 -102.6990 759574.3968 -8.2400 -8.1821 PRESSURE: 4641000 475.769 134.598 140.703 134.598 -8.76825 -66.0826 140.702 -66.0836 -373.733 GPRESSURE: 4641000 453.011 78.7589 81.5536 29.1258 116.495 -54.4905 302.759 -25.7865 -382.195 PRESSAVG: 4641000 1.61109 -63.1019 23.3316 -63.1019 5.82994 12.7628 23.3316 12.7627 -2.74502 GPRESSAVG: 4641000 0.306674 -63.5499 21.6716 -63.6988 7.07534 17.3394 23.4883 11.8611 -2.88816 TIMING: 4641000 CPU: 14722.4, 0.00313366/step Wall: 14722.4, 0.00313366/step, 0.312495 hours remaining, 241.769531 MB of memory in use. ENERGY: 4641000 3928.8748 20488.8182 14563.1379 252.3738 -203709.2294 2635.0831 0.0000 0.0000 51966.8995 -109874.0421 298.6545 -161840.9416 -109501.8427 298.7944 31.0892 62.4369 760611.5048 1.5653 1.4979 PRESSURE: 4641200 -330.237 -86.9704 -227.822 -86.971 -238.144 -58.7035 -227.822 -58.7029 -103.96 GPRESSURE: 4641200 -108.25 -15.242 -165.477 -211.606 -333.542 -113.548 -250.962 -25.9669 -140.124 PRESSAVG: 4641200 -9.43514 -21.5725 10.3344 -21.5725 -37.7001 5.45782 10.3344 5.4578 -23.4485 GPRESSAVG: 4641200 -8.95886 -22.0611 10.8843 -21.7174 -38.7329 3.21591 10.9132 5.46391 -23.1381 TIMING: 4641200 CPU: 14723.1, 0.00313617/step Wall: 14723.1, 0.00313617/step, 0.312571 hours remaining, 241.769531 MB of memory in use. ENERGY: 4641200 3957.6563 20377.6597 14550.6234 227.9072 -203327.5510 2149.2110 0.0000 0.0000 52082.3098 -109982.1836 299.3178 -162064.4934 -109616.6638 298.8103 -224.1136 -193.9722 761529.7585 -23.5279 -23.6100 PRESSURE: 4641400 -183.12 6.75094 -26.5784 6.75214 -108.174 289.893 -26.5783 289.893 -115.658 GPRESSURE: 4641400 -54.8464 121.113 8.99843 -9.82094 -159.856 226.615 26.9959 290.689 -110.834 PRESSAVG: 4641400 17.4964 -45.9982 17.8823 -45.9982 -11.9338 -9.09773 17.8823 -9.09771 -3.08418 GPRESSAVG: 4641400 17.4109 -46.2917 17.9078 -45.2266 -12.6199 -8.0529 16.5019 -10.7466 -2.21819 TIMING: 4641400 CPU: 14723.7, 0.00311538/step Wall: 14723.7, 0.00311538/step, 0.310327 hours remaining, 241.769531 MB of memory in use. ENERGY: 4641400 4018.9841 20539.5765 14555.2501 259.0079 -203630.0237 2516.4917 0.0000 0.0000 51815.9180 -109924.7955 297.7868 -161740.7135 -109560.2712 298.3030 -135.6504 -108.5121 759417.7833 0.8261 0.8576 PRESSURE: 4641600 145.658 -218.384 32.8789 -218.384 188.607 -200.783 32.8796 -200.784 275.043 GPRESSURE: 4641600 124.551 -248.715 65.5497 -158.555 274.601 -214.255 -51.4129 -115.005 280.982 PRESSAVG: 4641600 23.8801 -29.1186 39.9217 -29.1186 0.195043 0.848603 39.9217 0.848609 -12.9947 GPRESSAVG: 4641600 23.5947 -27.9509 40.858 -30.1932 -0.752591 0.420802 38.6455 1.8401 -12.3348 TIMING: 4641600 CPU: 14724.3, 0.00313038/step Wall: 14724.3, 0.00313038/step, 0.311647 hours remaining, 241.769531 MB of memory in use. ENERGY: 4641600 3961.5457 20625.3279 14398.7996 227.2915 -203805.1944 2469.1000 0.0000 0.0000 52270.7306 -109852.3991 300.4006 -162123.1297 -109487.8092 299.2212 203.1029 226.7112 758765.3342 3.6935 3.5024 PRESSURE: 4641800 -385.155 -139.897 -135.399 -139.898 -329.754 -126.142 -135.399 -126.143 68.9326 GPRESSURE: 4641800 -332.019 -144.317 -95.4159 -242.926 -308.583 -125.478 -83.3377 -80.2525 55.5665 PRESSAVG: 4641800 10.1468 -14.126 21.145 -14.1261 16.0712 -32.8 21.1449 -32.8 24.2958 GPRESSAVG: 4641800 9.70206 -14.3736 20.7288 -12.8926 15.6251 -31.6065 22.7969 -34.5477 24.9721 TIMING: 4641800 CPU: 14724.9, 0.00314234/step Wall: 14724.9, 0.00314234/step, 0.312663 hours remaining, 241.769531 MB of memory in use. ENERGY: 4641800 3970.6199 20565.4664 14508.4085 243.8386 -203541.0719 2358.0130 0.0000 0.0000 51986.7110 -109908.0145 298.7683 -161894.7255 -109550.6542 298.8940 -215.3254 -195.0117 759986.1840 16.8379 16.7664 PRESSURE: 4642000 -77.505 -216.422 -297.189 -216.422 -208.976 -9.95367 -297.189 -9.95343 308.059 GPRESSURE: 4642000 -76.1635 -197.088 -187.01 -288.008 -101.151 19.2635 -365.017 -24.5199 275.781 PRESSAVG: 4642000 8.32537 -39.0137 14.7779 -39.0137 25.0971 -3.28282 14.7779 -3.28275 -7.02562 GPRESSAVG: 4642000 9.5338 -39.9395 14.9314 -39.6212 26.4879 -3.37249 14.9142 -2.77634 -9.95677 TIMING: 4642000 CPU: 14725.6, 0.00313858/step Wall: 14725.6, 0.00313858/step, 0.312114 hours remaining, 241.769531 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: 4642000 3941.9132 20514.0742 14513.4139 230.6878 -203570.9000 2548.9853 0.0000 0.0000 51924.0188 -109897.8069 298.4080 -161821.8256 -109534.3222 299.1271 7.1926 32.8224 759056.6228 8.7989 8.6883 PRESSURE: 4642200 -213.161 -32.0822 -82.1434 -32.083 138.389 49.9007 -82.1446 49.8993 0.661371 GPRESSURE: 4642200 -174.684 -2.7478 -111.972 -63.4495 147.902 1.11655 -105.348 39.3335 51.8208 PRESSAVG: 4642200 34.7142 -41.0412 26.4786 -41.0412 -24.4986 20.966 26.4786 20.966 -0.0590368 GPRESSAVG: 4642200 33.9667 -39.0973 25.3635 -40.9946 -24.8678 21.6769 25.4299 21.293 1.31362 TIMING: 4642200 CPU: 14726.2, 0.00311203/step Wall: 14726.2, 0.00311203/step, 0.309302 hours remaining, 241.769531 MB of memory in use. ENERGY: 4642200 3969.8713 20466.4779 14505.8327 236.1923 -203743.6503 2612.3213 0.0000 0.0000 52200.0579 -109752.8969 299.9945 -161952.9548 -109389.9041 299.0667 -24.7034 8.3464 760206.0236 3.3855 3.4708 PRESSURE: 4642400 -2.31361 60.7553 27.4879 60.7559 14.1259 311.646 27.4879 311.646 284.833 GPRESSURE: 4642400 159.081 98.0981 100.403 51.311 -10.9093 263.169 126.083 220.668 235.009 PRESSAVG: 4642400 52.0873 7.87138 10.3167 7.87139 -35.5338 -26.8576 10.3167 -26.8576 4.37764 GPRESSAVG: 4642400 51.7795 5.8909 10.6788 8.48708 -35.4049 -29.7942 12.2536 -25.3577 4.07934 TIMING: 4642400 CPU: 14726.8, 0.00311455/step Wall: 14726.8, 0.00311455/step, 0.309379 hours remaining, 241.769531 MB of memory in use. ENERGY: 4642400 3928.7733 20490.5269 14476.6499 234.0466 -203364.8169 2557.3932 0.0000 0.0000 51962.7971 -109714.6298 298.6309 -161677.4269 -109362.5558 298.8655 98.8816 127.7270 761124.4191 6.9770 6.8180 PRESSURE: 4642600 -91.6202 130.769 -80.6434 130.77 -76.6115 -184.814 -80.6424 -184.813 -492.16 GPRESSURE: 4642600 14.8408 26.0903 -161.864 131.453 -121.854 -301.618 -137.18 -60.5187 -483.2 PRESSAVG: 4642600 9.07236 -19.1312 -2.63441 -19.1312 -38.6095 29.6328 -2.63439 29.6329 20.9486 GPRESSAVG: 4642600 9.21335 -19.1858 -1.73335 -19.1313 -39.9947 29.2034 -2.54355 30.0815 22.0247 TIMING: 4642600 CPU: 14727.4, 0.0031318/step Wall: 14727.4, 0.0031318/step, 0.310918 hours remaining, 241.769531 MB of memory in use. ENERGY: 4642600 3969.1101 20414.8647 14500.4441 244.2149 -203245.5224 2444.7106 0.0000 0.0000 52075.1750 -109597.0029 299.2767 -161672.1780 -109234.7001 299.3404 -220.1305 -196.7377 761179.8262 -2.8629 -2.9189 PRESSURE: 4642800 -11.1823 -11.5394 -125.042 -11.5396 -167.376 -5.9238 -125.042 -5.92337 25.8974 GPRESSURE: 4642800 -55.5708 83.3402 -119.767 -41.774 -60.6492 -84.8143 -160.688 35.34 37.386 PRESSAVG: 4642800 26.2057 -43.7319 -35.7245 -43.7319 -48.6284 51.0351 -35.7245 51.0351 10.9402 GPRESSAVG: 4642800 26.3511 -42.4729 -36.4456 -46.0067 -47.1123 53.0235 -36.5917 48.9443 9.14294 TIMING: 4642800 CPU: 14728.1, 0.00312334/step Wall: 14728.1, 0.00312334/step, 0.309904 hours remaining, 241.769531 MB of memory in use. ENERGY: 4642800 3961.3920 20326.2081 14394.8299 254.7501 -203475.9181 2573.2479 0.0000 0.0000 52351.2527 -109614.2374 300.8634 -161965.4900 -109246.7323 298.9725 -50.8870 -26.2780 759424.5468 -3.8275 -3.8728 PRESSURE: 4643000 -3.39519 119.66 -49.9825 119.66 -306.748 -100.325 -49.9825 -100.325 82.9179 GPRESSURE: 4643000 -33.4596 74.0985 -37.4254 60.8183 -198.269 -28.0389 -85.5905 -58.064 85.3722 PRESSAVG: 4643000 43.1222 2.87534 -7.53204 2.87541 -34.5101 12.4756 -7.53197 12.4756 9.21637 GPRESSAVG: 4643000 43.5609 2.07184 -8.03888 3.78931 -35.8421 12.8294 -7.05263 16.1483 10.5482 TIMING: 4643000 CPU: 14728.7, 0.00313393/step Wall: 14728.7, 0.00313393/step, 0.310781 hours remaining, 241.769531 MB of memory in use. ENERGY: 4643000 3956.2839 20540.7932 14608.6258 256.2670 -203638.3050 2288.6708 0.0000 0.0000 52322.0900 -109665.5742 300.6958 -161987.6643 -109304.9002 299.8022 -75.7418 -48.7855 760760.2408 5.9428 6.0890 PRESSURE: 4643200 -181.808 -61.218 54.716 -61.2186 -153.734 227.12 54.7159 227.12 -9.85323 GPRESSURE: 4643200 -113.512 -17.099 48.0259 -16.1625 -114.762 183.416 11.7203 220.211 -24.0368 PRESSAVG: 4643200 38.6769 5.55907 -0.610026 5.5591 -50.0608 -21.1795 -0.609976 -21.1795 5.35686 GPRESSAVG: 4643200 37.9191 6.32656 -2.49792 4.72883 -48.6245 -21.8551 -0.042987 -23.4319 5.29575 TIMING: 4643200 CPU: 14729.3, 0.00313554/step Wall: 14729.3, 0.00313554/step, 0.310767 hours remaining, 241.769531 MB of memory in use. ENERGY: 4643200 4088.3804 20352.2343 14453.7362 260.2306 -203519.2665 2630.0995 0.0000 0.0000 52030.0481 -109704.5374 299.0174 -161734.5855 -109342.2861 299.5510 -115.1318 -84.1035 761949.9763 -2.0090 -1.8032 PRESSURE: 4643400 238.474 41.2366 118.638 41.2374 -273.336 -151.176 118.638 -151.175 75.215 GPRESSURE: 4643400 196.266 24.697 162.376 75.4391 -180.252 -208.917 160.908 -5.2541 101.792 PRESSAVG: 4643400 32.163 -8.25563 -34.5185 -8.25564 -28.6384 4.12879 -34.5185 4.12875 -3.26221 GPRESSAVG: 4643400 31.8698 -9.67805 -32.9317 -6.64132 -28.619 3.01846 -34.2001 4.58169 -3.11114 TIMING: 4643400 CPU: 14729.9, 0.00313681/step Wall: 14729.9, 0.00313681/step, 0.310718 hours remaining, 241.769531 MB of memory in use. ENERGY: 4643400 3940.1736 20484.9287 14496.5403 258.6264 -203084.0439 2243.1095 0.0000 0.0000 52109.8575 -109550.8079 299.4761 -161660.6654 -109168.3017 299.5926 13.4510 39.2686 762387.8931 0.0875 0.0466 PRESSURE: 4643600 -435.931 -282.923 -132.819 -282.923 -157.322 -46.6718 -132.82 -46.6721 -80.6193 GPRESSURE: 4643600 -327.178 -234.03 -121.748 -225.597 -123.838 -99.5912 -166.903 -122.639 -128.815 PRESSAVG: 4643600 5.61006 -18.5865 -6.29586 -18.5866 -27.2041 -28.759 -6.29591 -28.759 -1.8745 GPRESSAVG: 4643600 6.34619 -19.5986 -5.62146 -18.1097 -27.3621 -28.0326 -7.83078 -28.1429 -2.58349 TIMING: 4643600 CPU: 14730.6, 0.00312861/step Wall: 14730.6, 0.00312861/step, 0.309733 hours remaining, 241.769531 MB of memory in use. ENERGY: 4643600 3971.9682 20588.3583 14458.1609 238.6222 -203477.1520 2399.9163 0.0000 0.0000 52126.7928 -109693.3331 299.5734 -161820.1259 -109334.5055 299.2754 -224.6241 -193.2773 760565.9104 -7.8228 -7.8665 PRESSURE: 4643800 91.3562 166.918 70.8552 166.918 -22.1097 126.719 70.8555 126.718 281.47 GPRESSURE: 4643800 26.3758 92.5513 99.5407 313.428 48.0047 150.119 107.105 54.6903 369.902 PRESSAVG: 4643800 -3.97876 -48.1608 1.19656 -48.1607 6.70446 -17.9874 1.19656 -17.9873 -21.5669 GPRESSAVG: 4643800 -6.08181 -47.323 0.389623 -50.4122 6.92358 -17.5043 1.33226 -20.8454 -20.1456 TIMING: 4643800 CPU: 14731.2, 0.00312091/step Wall: 14731.2, 0.00312091/step, 0.308797 hours remaining, 241.769531 MB of memory in use. ENERGY: 4643800 3999.3488 20557.4899 14492.0148 259.9028 -203282.0374 2375.1962 0.0000 0.0000 51960.3923 -109637.6927 298.6171 -161598.0850 -109295.5588 299.0737 116.9056 148.0942 760124.0001 -6.2804 -6.4346 PRESSURE: 4644000 136.602 -136.865 -69.4773 -136.866 162.575 81.2207 -69.4779 81.2217 74.7987 GPRESSURE: 4644000 201.757 -133.156 -122.576 -251.719 177.573 20.7726 -7.82242 140.587 82.1447 PRESSAVG: 4644000 -13.1117 -68.1531 -2.42364 -68.1531 -12.3286 -51.0448 -2.42359 -51.0447 -4.25136 GPRESSAVG: 4644000 -10.5282 -66.7389 -1.91807 -68.2751 -12.7493 -50.1303 -2.78967 -49.7616 -5.45438 TIMING: 4644000 CPU: 14731.8, 0.00313276/step Wall: 14731.8, 0.00313276/step, 0.309795 hours remaining, 241.769531 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: 4644000 4007.5013 20518.4562 14384.9838 249.4215 -203494.2482 2469.1638 0.0000 0.0000 52254.8621 -109609.8594 300.3094 -161864.7216 -109246.3410 299.1636 124.6586 153.8249 761017.9981 -9.8972 -9.5773 PRESSURE: 4644200 -34.2202 36.1244 -45.5164 36.1247 -192.178 -93.132 -45.5159 -93.1308 -296.648 GPRESSURE: 4644200 -33.5152 -63.5861 -67.2764 75.7513 -145.679 -64.5985 -58.2511 22.4958 -259.507 PRESSAVG: 4644200 -39.7716 -23.0992 -45.7271 -23.0992 61.2716 27.1999 -45.7272 27.2 6.52087 GPRESSAVG: 4644200 -40.2959 -25.5362 -46.618 -21.5331 61.4964 26.116 -44.0609 26.3461 7.418 TIMING: 4644200 CPU: 14732.4, 0.00312472/step Wall: 14732.4, 0.00312472/step, 0.308826 hours remaining, 241.769531 MB of memory in use. ENERGY: 4644200 3987.3474 20505.3021 14516.7455 242.2317 -203283.6473 2500.6822 0.0000 0.0000 51822.7000 -109708.6384 297.8258 -161531.3384 -109348.8089 299.0404 -174.3490 -146.2338 760555.6238 9.3403 9.5395 LDB: ============= START OF LOAD BALANCING ============== 14744.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14744.9 LDB: =============== DONE WITH MIGRATION ================ 14744.9 LDB: ============= START OF LOAD BALANCING ============== 14745.2 LDB: Largest compute 7077 load 0.031880 is 16.3% of average load 0.195483 LDB: Average compute 0.004366 is 2.2% of average load 0.195483 LDB: TIME 14745.2 LOAD: AVG 0.195483 MAX 0.215414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.285 MB LDB: TIME 14745.2 LOAD: AVG 0.195483 MAX 0.215414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: TIME 14745.2 LOAD: AVG 0.195483 MAX 0.215414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.289 MB LDB: ============== END OF LOAD BALANCING =============== 14745.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14745.2 PRESSURE: 4644400 -158.911 -144.403 -262.155 -144.404 -148.294 -100.51 -262.154 -100.511 133.21 GPRESSURE: 4644400 -72.1461 -158.153 -231.651 -186.843 -131.954 -1.44737 -232.353 -85.6073 109.138 PRESSAVG: 4644400 -27.305 -22.8376 52.0631 -22.8376 41.2211 33.6213 52.0631 33.6211 -9.20838 GPRESSAVG: 4644400 -27.0837 -20.2771 52.0649 -24.7632 40.2388 34.1174 50.6638 36.7773 -8.48167 TIMING: 4644400 CPU: 14733.1, 0.00320835/step Wall: 14733.1, 0.00320835/step, 0.316913 hours remaining, 239.824219 MB of memory in use. ENERGY: 4644400 3908.9263 20571.9740 14469.6468 263.4286 -203294.6088 2283.6840 0.0000 0.0000 52153.4949 -109643.4542 299.7269 -161796.9491 -109279.2643 298.8594 -57.9986 -31.6540 760276.3576 1.5693 1.5578 PRESSURE: 4644600 555.125 -23.6957 -87.3794 -23.6964 74.0246 -12.0716 -87.3794 -12.0717 349.828 GPRESSURE: 4644600 591.881 7.63953 -198.769 56.4795 122.542 -8.03237 56.0458 -26.821 345.345 PRESSAVG: 4644600 20.2489 -20.6156 7.06248 -20.6156 -5.28326 -34.5161 7.06247 -34.516 25.6003 GPRESSAVG: 4644600 20.072 -20.7037 5.99415 -19.4834 -5.03982 -35.3548 5.36974 -36.3756 25.7237 TIMING: 4644600 CPU: 14733.7, 0.00314603/step Wall: 14733.7, 0.00314603/step, 0.310583 hours remaining, 239.824219 MB of memory in use. ENERGY: 4644600 3882.7590 20439.0006 14508.9427 261.3455 -203442.5833 2555.6680 0.0000 0.0000 52053.9809 -109740.8867 299.1549 -161794.8676 -109387.3591 299.1543 326.3259 353.2562 760403.7386 13.5220 13.5853 PRESSURE: 4644800 155.634 -47.9361 41.6097 -47.9365 -93.311 49.6024 41.61 49.6035 47.0255 GPRESSURE: 4644800 109.03 46.0477 12.4564 -85.0018 -1.94998 29.5984 67.128 83.0901 100.245 PRESSAVG: 4644800 31.3013 -52.6332 29.2801 -52.6332 6.06078 16.5539 29.2801 16.5538 8.25135 GPRESSAVG: 4644800 30.5325 -53.1799 29.762 -52.5472 6.65755 16.4975 31.9365 15.5803 8.03508 TIMING: 4644800 CPU: 14734.3, 0.00315436/step Wall: 14734.3, 0.00315436/step, 0.31123 hours remaining, 239.824219 MB of memory in use. ENERGY: 4644800 3936.0901 20141.8585 14583.0130 264.9166 -202935.7062 2079.0811 0.0000 0.0000 52122.4772 -109808.2695 299.5486 -161930.7468 -109440.2724 298.8115 36.4495 69.1083 760640.3423 15.2045 15.0750 PRESSURE: 4645000 147.391 -25.363 5.69355 -25.3629 -312.768 253.961 5.69336 253.961 168.745 GPRESSURE: 4645000 97.7094 -133.357 106.902 -73.8859 -232.066 255.557 -11.4794 172.795 239.637 PRESSAVG: 4645000 -25.504 -64.6716 -37.6359 -64.6716 1.91577 -41.7222 -37.6359 -41.7222 -2.43505 GPRESSAVG: 4645000 -24.71 -67.4777 -36.9985 -63.7782 1.8691 -41.5923 -35.5634 -41.2308 -2.4305 TIMING: 4645000 CPU: 14735, 0.00314459/step Wall: 14735, 0.00314459/step, 0.310091 hours remaining, 239.824219 MB of memory in use. ENERGY: 4645000 3934.0645 20292.9414 14530.3878 253.5954 -202964.9402 2051.2055 0.0000 0.0000 52091.8128 -109810.9328 299.3724 -161902.7456 -109440.8187 298.8769 1.1224 35.0933 759798.1361 -8.6744 -8.4238 PRESSURE: 4645200 -87.1631 -120.74 -74.9689 -120.741 -44.0493 -58.1106 -74.9686 -58.1105 299.766 GPRESSURE: 4645200 -73.4079 89.0217 21.4747 -135.481 20.6447 -33.3631 -66.3472 44.0407 294.361 PRESSAVG: 4645200 10.8571 -0.488112 -12.177 -0.488088 6.79502 42.1284 -12.177 42.1283 -3.55413 GPRESSAVG: 4645200 11.0501 1.45339 -11.4121 -0.970277 6.42189 41.0994 -15.9352 41.3725 -3.68575 TIMING: 4645200 CPU: 14735.6, 0.00314253/step Wall: 14735.6, 0.00314253/step, 0.309714 hours remaining, 239.824219 MB of memory in use. ENERGY: 4645200 3959.8519 20539.5102 14467.7497 241.9365 -203329.0249 2314.0533 0.0000 0.0000 52144.7408 -109661.1825 299.6765 -161805.9233 -109293.3422 299.0009 56.1845 80.5326 760238.3189 4.6993 4.5954 PRESSURE: 4645400 61.3895 16.3113 105.524 16.312 104.896 226.403 105.524 226.403 138.667 GPRESSURE: 4645400 88.3104 81.6235 74.9413 55.8621 90.3342 200.31 140.578 114.015 187.685 PRESSAVG: 4645400 -1.29591 -39.0886 -23.4325 -39.0886 52.8825 14.8408 -23.4326 14.8409 16.1999 GPRESSAVG: 4645400 -1.32836 -39.4539 -23.9027 -36.5013 51.9651 16.9983 -23.0592 14.2279 16.785 TIMING: 4645400 CPU: 14736.2, 0.00313128/step Wall: 14736.2, 0.00313128/step, 0.308431 hours remaining, 239.824219 MB of memory in use. ENERGY: 4645400 3922.7953 20601.2196 14491.3875 270.8105 -203381.8094 2243.0397 0.0000 0.0000 52152.0517 -109700.5051 299.7186 -161852.5568 -109340.3144 299.2485 101.6507 122.1100 759517.2685 22.5955 22.4739 PRESSURE: 4645600 -116.644 32.659 -338.508 32.6597 12.0754 185.54 -338.507 185.54 -178.726 GPRESSURE: 4645600 -65.6489 107.574 -300.561 -12.7801 48.6063 108.25 -255.083 167.513 -182.83 PRESSAVG: 4645600 28.2804 -46.4933 24.7317 -46.4932 -26.1185 -8.60908 24.7317 -8.60913 8.1712 GPRESSAVG: 4645600 27.1194 -46.1047 24.3968 -49.309 -23.6685 -10.6355 25.0591 -8.0404 7.49119 TIMING: 4645600 CPU: 14736.9, 0.00313812/step Wall: 14736.9, 0.00313812/step, 0.308931 hours remaining, 239.824219 MB of memory in use. ENERGY: 4645600 3975.6144 20566.0489 14449.4050 229.4670 -203461.1554 2399.0500 0.0000 0.0000 52004.1635 -109837.4066 298.8686 -161841.5701 -109467.8268 299.1059 -94.4314 -66.6243 761204.4629 3.4443 3.6474 PRESSURE: 4645800 -221.003 126.945 -3.25794 126.945 210.169 55.0415 -3.25772 55.0433 -153.002 GPRESSURE: 4645800 -208.449 43.9456 2.05036 122.651 246.862 129.418 161.866 24.4121 -102.281 PRESSAVG: 4645800 26.6787 -4.05639 20.2936 -4.05638 -16.4832 0.495319 20.2936 0.495365 1.435 GPRESSAVG: 4645800 27.5383 -4.55811 21.3949 -3.14695 -16.5888 3.15184 23.2455 2.13893 0.579779 TIMING: 4645800 CPU: 14737.5, 0.003148/step Wall: 14737.5, 0.003148/step, 0.309728 hours remaining, 239.824219 MB of memory in use. ENERGY: 4645800 4031.1955 20605.1571 14421.3069 227.0862 -203446.5146 2364.9700 0.0000 0.0000 51887.3174 -109909.4816 298.1971 -161796.7990 -109544.6630 298.9308 -54.6120 -21.2892 761520.7038 3.8768 3.8431 PRESSURE: 4646000 -187.856 -184.459 -140.455 -184.458 -216.737 137.166 -140.454 137.166 -309.32 GPRESSURE: 4646000 -262.469 -149.66 -66.2628 -132.771 -156.845 126.015 -198.663 -2.01024 -224.766 PRESSAVG: 4646000 -25.7517 -30.4231 -8.5705 -30.4231 17.2734 21.2224 -8.57051 21.2224 -5.79514 GPRESSAVG: 4646000 -26.7345 -30.2048 -9.78053 -31.9914 16.6851 17.6802 -10.5977 20.0465 -3.36241 TIMING: 4646000 CPU: 14738.1, 0.00314491/step Wall: 14738.1, 0.00314491/step, 0.309249 hours remaining, 239.824219 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: 4646000 4012.7070 20451.5093 14438.1538 247.1273 -203087.5422 2238.5948 0.0000 0.0000 51893.9927 -109805.4573 298.2355 -161699.4500 -109443.8618 298.8371 -237.9709 -214.6931 761755.5275 -4.7578 -4.4706 PRESSURE: 4646200 234.841 -153.227 -21.7003 -153.228 -49.7375 67.7851 -21.7 67.7847 57.4529 GPRESSURE: 4646200 238.92 -88.8276 -99.6866 -48.9084 -2.36412 98.2817 -43.6931 172.54 93.2114 PRESSAVG: 4646200 9.77591 -20.6614 17.016 -20.6614 -1.63042 -23.7258 17.016 -23.7257 2.26302 GPRESSAVG: 4646200 10.5575 -17.8293 16.2676 -20.902 -1.81398 -21.7574 15.6162 -23.7012 1.41156 TIMING: 4646200 CPU: 14738.7, 0.00314255/step Wall: 14738.7, 0.00314255/step, 0.308843 hours remaining, 239.824219 MB of memory in use. ENERGY: 4646200 3946.2569 20508.7829 14488.7035 249.0321 -203962.2307 2755.4532 0.0000 0.0000 52190.2306 -109823.7714 299.9380 -162014.0021 -109454.2758 299.1803 80.8521 109.9224 760388.1539 3.4695 3.3850 PRESSURE: 4646400 -66.1225 -136.524 -116.046 -136.525 -30.842 -100.497 -116.046 -100.496 321.55 GPRESSURE: 4646400 32.0965 -171.347 -118.884 11.0308 59.1223 -124.818 -123.363 -73.2097 237.807 PRESSAVG: 4646400 15.1156 -59.6154 -39.6266 -59.6154 -23.1697 35.7848 -39.6266 35.7847 -5.28161 GPRESSAVG: 4646400 14.9175 -63.9114 -38.0826 -56.121 -22.8687 34.7134 -39.7561 39.853 -4.94295 TIMING: 4646400 CPU: 14739.4, 0.00313248/step Wall: 14739.4, 0.00313248/step, 0.307679 hours remaining, 239.824219 MB of memory in use. ENERGY: 4646400 3947.1290 20563.0257 14538.3419 239.3609 -204045.4158 2788.7647 0.0000 0.0000 52141.7667 -109827.0270 299.6594 -161968.7937 -109470.0247 299.6024 74.8620 109.6754 760096.8176 -4.4452 -4.2980 PRESSURE: 4646600 583.449 114.725 -94.055 114.724 327.8 -79.0267 -94.0553 -79.0261 18.4894 GPRESSURE: 4646600 655.257 52.3347 4.86383 -7.24498 350.597 -111.916 -114.27 -102.064 6.20797 PRESSAVG: 4646600 21.2619 -8.38396 -3.26932 -8.38395 -4.79947 -35.3629 -3.26931 -35.3629 -8.74266 GPRESSAVG: 4646600 20.535 -7.0312 -3.20874 -11.803 -3.84495 -34.8656 -3.70788 -38.4666 -8.91439 TIMING: 4646600 CPU: 14740, 0.00314048/step Wall: 14740, 0.00314048/step, 0.30829 hours remaining, 239.824219 MB of memory in use. ENERGY: 4646600 4041.1638 20519.9813 14474.5627 258.5975 -203769.7350 2672.1130 0.0000 0.0000 52059.9044 -109743.4122 299.1890 -161803.3166 -109387.2028 299.5422 309.9130 337.3542 760364.3870 2.5733 2.5919 PRESSURE: 4646800 54.9138 -59.4697 75.1402 -59.4703 67.9533 141.34 75.139 141.34 73.357 GPRESSURE: 4646800 66.8362 10.2303 162.586 -137.306 188.179 146.683 166.286 120.864 34.1934 PRESSAVG: 4646800 38.3413 -40.1582 -2.61677 -40.1583 17.7094 -3.55149 -2.61676 -3.5515 -12.7431 GPRESSAVG: 4646800 39.6179 -38.6699 -3.23646 -38.2055 16.7346 -5.21072 1.055 -2.63275 -13.07 TIMING: 4646800 CPU: 14740.6, 0.00313358/step Wall: 14740.6, 0.00313358/step, 0.307439 hours remaining, 239.824219 MB of memory in use. ENERGY: 4646800 3952.8034 20555.7284 14473.1175 261.4932 -203504.8381 2519.6113 0.0000 0.0000 51853.8625 -109888.2218 298.0049 -161742.0842 -109522.4683 298.9667 65.4080 96.4027 761942.2821 14.4359 14.4275 PRESSURE: 4647000 153.591 -54.2726 108.538 -54.2721 -165.746 -135.673 108.538 -135.673 -105.646 GPRESSURE: 4647000 179.497 13.1598 130.73 -49.2397 -98.0509 -106.901 18.0431 -88.4175 -115.371 PRESSAVG: 4647000 -5.60684 -8.15738 -44.7538 -8.15734 -12.4908 -1.39852 -44.7538 -1.39851 3.24121 GPRESSAVG: 4647000 -6.05928 -8.64208 -44.6349 -9.17687 -12.1283 1.66917 -46.9829 -1.80574 3.01219 TIMING: 4647000 CPU: 14741.2, 0.00312426/step Wall: 14741.2, 0.00312426/step, 0.306351 hours remaining, 239.824219 MB of memory in use. ENERGY: 4647000 3953.8382 20531.0326 14479.6254 255.1637 -203942.5570 2536.3751 0.0000 0.0000 52137.6994 -110048.8227 299.6361 -162186.5221 -109684.6509 299.1349 -39.2666 -11.3084 760355.0954 -4.9521 -5.0584 PRESSURE: 4647200 -409.903 -283.389 22.7957 -283.389 -73.5712 -208.805 22.7951 -208.803 -162.434 GPRESSURE: 4647200 -326.77 -202.671 47.0342 -228.485 -82.9782 -153.365 -101.433 -244.252 -136.501 PRESSAVG: 4647200 13.8399 -16.9435 -40.6239 -16.9435 -31.2006 -19.5231 -40.624 -19.5231 29.4458 GPRESSAVG: 4647200 13.4493 -17.2399 -41.8037 -15.3207 -32.0065 -20.8946 -43.4486 -20.0359 30.5338 TIMING: 4647200 CPU: 14741.9, 0.0031426/step Wall: 14741.9, 0.0031426/step, 0.307975 hours remaining, 239.824219 MB of memory in use. ENERGY: 4647200 4005.2681 20545.0577 14454.9928 252.9165 -203656.4836 2548.4174 0.0000 0.0000 51927.0744 -109922.7567 298.4256 -161849.8311 -109558.8166 298.8252 -215.3031 -182.0831 761554.9121 4.0284 3.9922 PRESSURE: 4647400 -455.056 8.85617 -21.8219 8.85554 -126.337 56.2839 -21.8223 56.2837 -31.4431 GPRESSURE: 4647400 -405.359 -46.5822 19.1486 -80.9661 -115.686 57.2073 75.8223 -46.9876 10.5148 PRESSAVG: 4647400 -38.1344 -27.3719 -24.8653 -27.3719 57.5527 -86.5237 -24.8653 -86.5238 12.3344 GPRESSAVG: 4647400 -36.3333 -27.1331 -23.1725 -28.8549 56.5676 -86.0178 -23.7595 -88.0978 12.0463 TIMING: 4647400 CPU: 14742.5, 0.00314575/step Wall: 14742.5, 0.00314575/step, 0.308109 hours remaining, 239.824219 MB of memory in use. ENERGY: 4647400 4078.8564 20582.5084 14447.6017 242.8929 -203641.9472 2414.9935 0.0000 0.0000 51925.2801 -109949.8142 298.4153 -161875.0943 -109581.8128 299.2422 -204.2787 -170.1768 761496.4276 10.5843 10.7602 PRESSURE: 4647600 227.735 -57.0974 -166.932 -57.0973 -15.3413 31.7603 -166.932 31.7604 98.3367 GPRESSURE: 4647600 223.724 21.0897 -89.967 -52.6618 -5.2468 44.2117 -148.894 -34.5301 173.253 PRESSAVG: 4647600 -29.9667 -30.7401 -19.8419 -30.7401 4.15668 -40.2469 -19.8419 -40.2469 3.19383 GPRESSAVG: 4647600 -31.7904 -31.7819 -21.1634 -29.9057 4.91835 -40.604 -19.1399 -38.5898 4.36412 TIMING: 4647600 CPU: 14743.1, 0.00312652/step Wall: 14743.1, 0.00312652/step, 0.306052 hours remaining, 239.824219 MB of memory in use. ENERGY: 4647600 3966.8382 20441.5028 14504.5618 236.1456 -203893.1880 2735.9964 0.0000 0.0000 51858.2132 -110149.9300 298.0299 -162008.1432 -109790.0782 298.4312 103.5767 130.5766 759391.4087 -7.5387 -7.5026 PRESSURE: 4647800 86.4515 -202.097 -32.8593 -202.098 -51.9973 195.92 -32.8585 195.92 -313.687 GPRESSURE: 4647800 92.6672 -106.183 -51.7758 -184.82 -20.7596 332.546 19.5295 185.475 -291.668 PRESSAVG: 4647800 44.8164 22.046 -49.2029 22.046 -53.7432 -1.57058 -49.2029 -1.57063 -4.05337 GPRESSAVG: 4647800 45.0156 22.5121 -48.5562 22.0173 -53.4739 -0.853024 -51.9045 -2.703 -4.66045 TIMING: 4647800 CPU: 14743.8, 0.00312897/step Wall: 14743.8, 0.00312897/step, 0.306118 hours remaining, 239.824219 MB of memory in use. ENERGY: 4647800 3955.9421 20574.5479 14507.6399 262.2257 -204050.3881 2769.1625 0.0000 0.0000 52086.9495 -109893.9205 299.3444 -161980.8700 -109540.9477 298.8460 -93.0777 -73.2534 759922.9495 -4.3267 -4.3729 PRESSURE: 4648000 -76.2514 -153.419 96.4767 -153.418 25.9627 -83.3471 96.4776 -83.3474 53.6201 GPRESSURE: 4648000 -58.4866 -100.654 101.334 -237.221 55.9756 -170.47 101.813 -110.366 109.419 PRESSAVG: 4648000 2.12223 -3.90641 -29.9421 -3.90633 3.77753 -12.2202 -29.9422 -12.2201 -2.45307 GPRESSAVG: 4648000 0.57678 -3.10595 -30.0574 -4.80468 5.21033 -12.7301 -26.8857 -11.8611 -2.5389 TIMING: 4648000 CPU: 14744.4, 0.00313216/step Wall: 14744.4, 0.00313216/step, 0.306256 hours remaining, 239.824219 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: 4648000 3939.2617 20480.8414 14530.8710 244.5814 -203317.8639 2243.1021 0.0000 0.0000 51924.0422 -109955.1641 298.4082 -161879.2063 -109592.1480 298.5819 1.1104 35.6362 759191.6415 1.1489 1.0827 PRESSURE: 4648200 -562.857 49.8075 147.651 49.8069 95.3341 210.495 147.651 210.497 158.565 GPRESSURE: 4648200 -445.858 221.82 90.6018 77.2777 98.3045 131.697 46.7941 90.7039 133.635 PRESSAVG: 4648200 18.6859 -6.05259 -2.52379 -6.05262 16.3804 15.736 -2.52382 15.736 0.794811 GPRESSAVG: 4648200 20.6875 -4.81133 -2.04376 -6.0126 14.1007 15.9283 -4.02674 15.5678 1.05934 TIMING: 4648200 CPU: 14745, 0.00313402/step Wall: 14745, 0.00313402/step, 0.306264 hours remaining, 239.824219 MB of memory in use. ENERGY: 4648200 3922.6451 20565.2343 14531.6848 254.9084 -203149.9188 2231.9647 0.0000 0.0000 51916.1268 -109727.3546 298.3627 -161643.4815 -109353.8561 298.4314 -102.9858 -71.3059 760233.6605 11.9537 11.9492 LDB: ============= START OF LOAD BALANCING ============== 14757.5 LDB: ============== END OF LOAD BALANCING =============== 14757.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14757.5 LDB: ============= START OF LOAD BALANCING ============== 14757.8 LDB: Largest compute 7045 load 0.033042 is 16.9% of average load 0.195590 LDB: Average compute 0.004384 is 2.2% of average load 0.195590 LDB: TIME 14757.8 LOAD: AVG 0.19559 MAX 0.216807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.312 MB LDB: TIME 14757.8 LOAD: AVG 0.19559 MAX 0.216807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.52 MB LDB: TIME 14757.8 LOAD: AVG 0.19559 MAX 0.216807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.52 MB LDB: ============== END OF LOAD BALANCING =============== 14757.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14757.8 PRESSURE: 4648400 115.48 99.4053 -126.92 99.4055 -131.262 -106.853 -126.919 -106.852 -0.860323 GPRESSURE: 4648400 123.509 79.3238 -91.7656 164.923 -87.0738 -78.7554 -161.762 -46.3788 53.9251 PRESSAVG: 4648400 -3.03913 -31.4697 -56.8098 -31.4697 -33.3361 -24.9283 -56.8098 -24.9283 27.3066 GPRESSAVG: 4648400 -4.85442 -32.7089 -56.9463 -30.548 -31.9587 -24.8415 -56.3892 -24.1512 27.5333 TIMING: 4648400 CPU: 14745.7, 0.00320152/step Wall: 14745.7, 0.00320152/step, 0.312682 hours remaining, 241.320312 MB of memory in use. ENERGY: 4648400 4016.6166 20595.6280 14454.4393 234.6247 -203498.5775 2556.3630 0.0000 0.0000 52106.4562 -109534.4497 299.4565 -161640.9059 -109168.6453 299.2777 -5.5473 30.1202 761679.5805 -3.0229 -3.0933 PRESSURE: 4648600 8.73367 80.9111 214.816 80.9111 156.796 -184.461 214.815 -184.461 222.694 GPRESSURE: 4648600 46.6121 165.086 201.019 20.7151 158.257 -251.784 149.131 -30.7399 259.654 PRESSAVG: 4648600 0.821771 21.9494 -7.95339 21.9494 42.8646 -28.4363 -7.95344 -28.4364 -9.22595 GPRESSAVG: 4648600 1.83607 19.0503 -6.4696 22.5097 41.6851 -29.8966 -8.15285 -26.2623 -9.45688 TIMING: 4648600 CPU: 14746.3, 0.0031352/step Wall: 14746.3, 0.0031352/step, 0.30603 hours remaining, 241.320312 MB of memory in use. ENERGY: 4648600 3905.7737 20705.1228 14507.3352 246.2279 -203385.7625 2395.5703 0.0000 0.0000 52152.6298 -109473.1028 299.7219 -161625.7326 -109116.4858 299.6768 129.4081 154.8410 762923.9074 11.4868 11.3548 PRESSURE: 4648800 -54.7885 -41.3999 -82.1862 -41.3997 -175.636 203.99 -82.1862 203.991 -69.3741 GPRESSURE: 4648800 -84.9731 -4.31757 -131.95 -100.896 -134.831 199.393 -56.646 215.868 -3.64068 PRESSAVG: 4648800 -40.3142 20.7649 -4.60628 20.7649 -1.00592 -83.5237 -4.60627 -83.5238 7.14089 GPRESSAVG: 4648800 -41.1947 22.6672 -5.94639 19.8938 -0.810162 -83.0963 -3.16259 -87.321 7.73307 TIMING: 4648800 CPU: 14746.9, 0.00316641/step Wall: 14746.9, 0.00316641/step, 0.308901 hours remaining, 241.320312 MB of memory in use. ENERGY: 4648800 3985.2470 20509.3552 14519.9819 209.5911 -203079.2988 2162.7137 0.0000 0.0000 52400.1004 -109292.3094 301.1441 -161692.4098 -108927.7569 299.5585 -99.9329 -74.4816 762183.8182 -11.3931 -11.4239 PRESSURE: 4649000 -204.205 136.244 106.541 136.244 129.982 113.666 106.542 113.667 -168.196 GPRESSURE: 4649000 -100.172 119.498 120.692 195.857 115.337 202.536 26.1708 -29.3044 -169.913 PRESSAVG: 4649000 -50.7851 23.8007 -2.3159 23.8006 35.6114 -2.86324 -2.31586 -2.86321 13.6791 GPRESSAVG: 4649000 -50.3966 22.5147 -2.50577 23.1148 35.3237 -0.62576 -3.12208 -2.89041 13.6343 TIMING: 4649000 CPU: 14747.5, 0.00316962/step Wall: 14747.5, 0.00316962/step, 0.309038 hours remaining, 241.320312 MB of memory in use. ENERGY: 4649000 3984.7833 20437.0262 14492.0591 265.1691 -203450.5218 2648.7392 0.0000 0.0000 52520.0558 -109102.6889 301.8335 -161622.7448 -108735.1859 300.5154 -80.8064 -51.5828 762490.1742 -0.4982 -0.4795 PRESSURE: 4649200 186.366 131.197 -20.2678 131.197 -15.4354 -73.4316 -20.2684 -73.4314 -348.035 GPRESSURE: 4649200 18.896 109.061 37.6827 30.071 170.653 -133.441 11.7109 60.2108 -281.271 PRESSAVG: 4649200 -19.0123 -8.13902 -38.7126 -8.13899 19.4829 21.632 -38.7126 21.632 -1.59731 GPRESSAVG: 4649200 -18.0644 -9.26164 -39.0175 -7.29681 20.5038 18.8013 -37.933 24.8612 -3.09793 TIMING: 4649200 CPU: 14748.2, 0.00314689/step Wall: 14748.2, 0.00314689/step, 0.306647 hours remaining, 241.320312 MB of memory in use. ENERGY: 4649200 3961.2735 20711.1259 14470.6533 240.3329 -203437.8558 2832.7273 0.0000 0.0000 52175.4843 -109046.2586 299.8532 -161221.7429 -108687.2370 300.3640 -59.0348 -30.5742 762429.5011 -0.3756 -0.2195 PRESSURE: 4649400 -256.796 143.549 -298.276 143.547 -247.152 -126.202 -298.277 -126.202 38.7452 GPRESSURE: 4649400 -236.907 175.352 -343.441 107.067 -174.478 -247.831 -128.31 -7.15262 64.4512 PRESSAVG: 4649400 -30.9907 -37.0943 -12.2164 -37.0943 32.5651 -22.4007 -12.2165 -22.4006 -17.764 GPRESSAVG: 4649400 -30.9015 -35.5041 -11.8315 -35.8597 32.4319 -21.9371 -13.061 -23.1612 -17.4051 TIMING: 4649400 CPU: 14748.8, 0.00314534/step Wall: 14748.8, 0.00314534/step, 0.306321 hours remaining, 241.320312 MB of memory in use. ENERGY: 4649400 4013.9727 20834.3455 14494.0707 251.1116 -203140.6866 2406.2449 0.0000 0.0000 51979.1901 -109161.7510 298.7251 -161140.9410 -108809.6266 300.7144 -155.0679 -115.6446 763074.5056 -5.3965 -5.2916 PRESSURE: 4649600 -12.5844 -109.1 137.766 -109.101 -85.0701 -338.178 137.766 -338.178 -198.634 GPRESSURE: 4649600 23.2405 12.779 216.766 -177.112 -58.0857 -326.453 -84.8765 -269.735 -188.232 PRESSAVG: 4649600 13.7581 -8.40782 -53.9885 -8.40783 41.0694 9.58701 -53.9884 9.58702 3.87845 GPRESSAVG: 4649600 13.7521 -6.34539 -54.7392 -10.8269 40.1572 10.3047 -53.8134 9.6098 4.42588 TIMING: 4649600 CPU: 14749.4, 0.00314907/step Wall: 14749.4, 0.00314907/step, 0.30651 hours remaining, 241.320312 MB of memory in use. ENERGY: 4649600 4008.8580 20676.9431 14458.6047 233.0469 -203150.2029 2366.8172 0.0000 0.0000 52074.6558 -109331.2772 299.2738 -161405.9330 -108961.2279 300.3360 -98.7627 -74.3592 761746.1072 19.5687 19.4451 PRESSURE: 4649800 -97.2938 -0.0258931 12.9889 -0.0253958 63.0566 239.528 12.9902 239.527 43.5233 GPRESSURE: 4649800 -54.8877 -82.1124 -35.071 -89.4888 139.809 217.204 33.0747 193.967 20.2056 PRESSAVG: 4649800 -87.3218 -18.236 16.8859 -18.2359 59.4097 -42.4136 16.8859 -42.4135 18.9255 GPRESSAVG: 4649800 -86.2886 -19.9328 17.4722 -15.0661 58.3209 -42.7925 16.8231 -45.0847 18.8987 TIMING: 4649800 CPU: 14750.1, 0.00314502/step Wall: 14750.1, 0.00314502/step, 0.305941 hours remaining, 241.320312 MB of memory in use. ENERGY: 4649800 4016.6634 20735.6689 14438.8884 241.9941 -203441.9988 2448.8579 0.0000 0.0000 52345.4988 -109214.4273 300.8303 -161559.9261 -108850.9748 300.5422 3.0953 35.0423 761595.5190 -2.9955 -3.0230 PRESSURE: 4650000 -16.6607 -75.1309 -202.766 -75.1314 22.3465 69.9645 -202.766 69.9634 -317.259 GPRESSURE: 4650000 18.4165 63.3049 -94.6587 -195.235 85.8621 63.0034 -231.162 9.44354 -335.001 PRESSAVG: 4650000 -19.4746 -9.00858 -11.8789 -9.00855 32.2504 -27.3457 -11.8789 -27.3456 -5.74102 GPRESSAVG: 4650000 -20.2973 -7.70858 -13.2933 -11.1911 33.1918 -27.2212 -11.7569 -26.2501 -5.82825 TIMING: 4650000 CPU: 14750.7, 0.00313472/step Wall: 14750.7, 0.00313472/step, 0.304764 hours remaining, 241.320312 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: 4650000 4011.2103 20544.5479 14513.7175 255.3642 -203460.4590 2702.7913 0.0000 0.0000 52045.1728 -109387.6550 299.1043 -161432.8278 -109033.1059 300.1739 -103.8578 -76.9076 762488.1988 2.3449 2.3554 PRESSURE: 4650200 -39.0268 54.5652 -150.729 54.5652 28.8804 -324.878 -150.729 -324.878 -329.291 GPRESSURE: 4650200 91.1267 108.446 -172.583 33.1108 -8.10439 -310.364 -108.294 -265.321 -328.123 PRESSAVG: 4650200 -11.7586 -0.416237 -17.5512 -0.416255 -18.5749 9.19212 -17.5511 9.19207 -6.12441 GPRESSAVG: 4650200 -12.1492 -1.76617 -17.5103 -0.227009 -18.1615 10.2687 -17.7016 10.4587 -5.80355 TIMING: 4650200 CPU: 14751.3, 0.00313378/step Wall: 14751.3, 0.00313378/step, 0.304499 hours remaining, 241.320312 MB of memory in use. ENERGY: 4650200 4033.8378 20565.3111 14418.5080 255.7228 -203446.4459 2439.4427 0.0000 0.0000 52080.7837 -109652.8399 299.3090 -161733.6236 -109291.2951 299.7410 -113.1459 -81.7001 761482.6651 -12.1526 -12.0381 PRESSURE: 4650400 -298.434 -129.696 -157.062 -129.697 -234.036 -115.691 -157.062 -115.692 -513.75 GPRESSURE: 4650400 -314.78 -173.66 -139.985 -79.5539 -110.049 -146.222 -194.45 -9.73896 -522.515 PRESSAVG: 4650400 -28.4898 -9.33368 -72.1923 -9.33365 42.2502 -30.0083 -72.1922 -30.0084 -8.56992 GPRESSAVG: 4650400 -27.8129 -8.49365 -73.1788 -6.99986 42.8486 -31.2275 -70.755 -29.4827 -9.87736 TIMING: 4650400 CPU: 14751.9, 0.00314045/step Wall: 14751.9, 0.00314045/step, 0.304973 hours remaining, 241.320312 MB of memory in use. ENERGY: 4650400 3997.4095 20483.1661 14468.8755 239.3047 -203479.2460 2291.3565 0.0000 0.0000 52164.6098 -109834.5237 299.7907 -161999.1335 -109449.5334 299.0179 -348.7401 -315.7811 760514.7448 1.7302 1.7195 PRESSURE: 4650600 135.554 56.4131 165.333 56.4129 142.341 150.007 165.333 150.007 257.211 GPRESSURE: 4650600 89.6567 56.532 180.909 74.6595 238.878 198.416 100.462 0.476449 298.024 PRESSAVG: 4650600 -22.6386 -41.2817 -59.6295 -41.2816 21.434 40.715 -59.6294 40.7149 -2.54871 GPRESSAVG: 4650600 -24.0384 -40.9757 -57.9883 -42.5905 22.2383 40.8187 -61.8868 40.4476 -1.58976 TIMING: 4650600 CPU: 14752.6, 0.00313451/step Wall: 14752.6, 0.00313451/step, 0.304221 hours remaining, 241.320312 MB of memory in use. ENERGY: 4650600 3933.9358 20548.9796 14504.3224 230.1573 -204015.0092 3075.7714 0.0000 0.0000 52015.0316 -109706.8109 298.9311 -161721.8426 -109348.8687 298.8792 178.3688 208.8532 761122.2066 -1.2511 -1.1299 PRESSURE: 4650800 -160.958 -110.398 -145.401 -110.398 -98.1641 -66.6352 -145.401 -66.6351 95.172 GPRESSURE: 4650800 -94.6425 -116.069 -168.788 -62.0043 -30.6226 -79.8986 -106.979 -125.528 31.8244 PRESSAVG: 4650800 -80.8772 1.96559 -26.5112 1.96558 64.836 7.58794 -26.5112 7.58799 14.8133 GPRESSAVG: 4650800 -81.7116 0.514415 -27.3277 1.80406 65.2992 8.02033 -25.3394 7.01302 14.4262 TIMING: 4650800 CPU: 14753.2, 0.00313248/step Wall: 14753.2, 0.00313248/step, 0.30385 hours remaining, 241.320312 MB of memory in use. ENERGY: 4650800 3959.2522 20571.8772 14445.2351 250.1400 -203603.7804 2627.7627 0.0000 0.0000 52119.6236 -109629.8898 299.5322 -161749.5133 -109256.8115 298.7585 -54.6501 -31.1469 762849.8175 -0.4093 -0.6621 PRESSURE: 4651000 -134.085 84.9135 -71.7243 84.9123 179.537 -14.2787 -71.7238 -14.2785 -115.801 GPRESSURE: 4651000 -94.3031 68.0057 -62.4158 225.902 232.445 -63.7286 43.9883 50.2469 -139.499 PRESSAVG: 4651000 22.6807 -64.1234 -24.7632 -64.1234 21.1687 -42.3144 -24.7633 -42.3145 9.94297 GPRESSAVG: 4651000 23.8543 -64.4779 -25.5224 -64.3243 21.0173 -42.9473 -24.2488 -41.4765 9.13839 TIMING: 4651000 CPU: 14753.8, 0.00311108/step Wall: 14753.8, 0.00311108/step, 0.301602 hours remaining, 241.320312 MB of memory in use. ENERGY: 4651000 4017.6431 20684.1478 14479.3153 243.1269 -203710.3409 2690.0586 0.0000 0.0000 51879.0128 -109717.0364 298.1494 -161596.0492 -109356.3470 298.9754 -23.4498 -0.4527 762399.5435 17.9308 18.0033 PRESSURE: 4651200 309.167 43.5731 171.214 43.5738 288.081 26.4597 171.213 26.4599 655.456 GPRESSURE: 4651200 305.146 -72.6314 157.136 61.0005 264.792 46.1876 160.322 -131.043 757.676 PRESSAVG: 4651200 -6.92062 -68.7957 -50.7683 -68.7957 45.1514 15.5876 -50.7684 15.5875 -28.5566 GPRESSAVG: 4651200 -7.95123 -66.4712 -50.3122 -70.7837 44.2079 15.3375 -52.5751 16.7988 -26.4864 TIMING: 4651200 CPU: 14754.4, 0.00313537/step Wall: 14754.4, 0.00313537/step, 0.303782 hours remaining, 241.320312 MB of memory in use. ENERGY: 4651200 3941.9729 20540.9420 14495.9290 269.6400 -203815.0823 2832.4180 0.0000 0.0000 52136.8873 -109597.2931 299.6314 -161734.1804 -109222.3682 299.0249 417.5678 442.5379 758825.9821 3.2247 3.2568 PRESSURE: 4651400 85.9771 -185.776 83.2807 -185.776 -102.602 137.452 83.2814 137.451 -334.88 GPRESSURE: 4651400 148.483 -197.268 77.1886 -166.573 -50.9001 157.134 1.6211 111.885 -362.204 PRESSAVG: 4651400 -14.5056 -36.0213 -46.3759 -36.0213 42.4958 12.1849 -46.376 12.1849 2.12399 GPRESSAVG: 4651400 -13.9765 -36.5435 -47.8698 -35.5206 42.3047 11.6746 -44.8477 9.50862 1.9802 TIMING: 4651400 CPU: 14755.1, 0.00312173/step Wall: 14755.1, 0.00312173/step, 0.302288 hours remaining, 241.320312 MB of memory in use. ENERGY: 4651400 3926.9966 20616.6515 14457.8033 237.6178 -203570.3863 2689.8839 0.0000 0.0000 52117.0018 -109524.4314 299.5171 -161641.4332 -109166.8407 299.2608 -117.1681 -88.2071 760352.2061 10.0381 10.1028 PRESSURE: 4651600 -54.1187 -201.351 244.206 -201.35 -401.257 40.4293 244.207 40.429 334.751 GPRESSURE: 4651600 -67.5399 -108.119 267.051 -235.043 -274.099 16.7978 110.37 69.5262 302.485 PRESSAVG: 4651600 42.2339 -2.71674 -12.4025 -2.71677 14.1139 43.2242 -12.4026 43.2242 -9.00605 GPRESSAVG: 4651600 42.3805 -1.28562 -9.55044 -1.57776 13.7771 42.8767 -13.7523 43.4202 -8.3769 TIMING: 4651600 CPU: 14755.7, 0.0031283/step Wall: 14755.7, 0.0031283/step, 0.30275 hours remaining, 241.320312 MB of memory in use. ENERGY: 4651600 3946.9285 20648.5163 14501.3585 254.0134 -203411.5880 2250.8861 0.0000 0.0000 52339.6651 -109470.2200 300.7968 -161809.8852 -109104.0406 299.6870 -40.2083 -13.0512 761997.7109 15.7806 15.9269 PRESSURE: 4651800 79.0342 -150.494 -164.085 -150.495 -36.519 67.4452 -164.085 67.4454 -136.317 GPRESSURE: 4651800 141.91 -128.251 -226.312 -297.268 -48.9106 74.0271 -135.364 178.176 -114.335 PRESSAVG: 4651800 9.9579 -44.5605 28.9245 -44.5605 -14.6881 55.2581 28.9246 55.2582 14.7623 GPRESSAVG: 4651800 9.00873 -44.9619 26.6009 -45.7279 -12.9471 57.3787 28.2032 57.2958 13.0513 TIMING: 4651800 CPU: 14756.3, 0.00311373/step Wall: 14756.3, 0.00311373/step, 0.301167 hours remaining, 241.320312 MB of memory in use. ENERGY: 4651800 3935.7138 20566.1682 14477.1590 241.6142 -202997.5963 2463.7135 0.0000 0.0000 51967.1139 -109346.1137 298.6557 -161313.2276 -108972.7790 300.0409 -31.2671 -7.1119 763121.5543 3.3440 3.0377 PRESSURE: 4652000 370.979 -160.719 -111.386 -160.72 -12.7747 2.29992 -111.386 2.30013 162.596 GPRESSURE: 4652000 395.877 -74.1513 -192.116 -63.1802 -50.2392 2.66466 -16.6578 -105.398 250.634 PRESSAVG: 4652000 5.2561 25.7533 25.4462 25.7533 8.82135 -13.9296 25.4462 -13.9296 12.998 GPRESSAVG: 4652000 5.89582 23.5037 25.5966 26.6027 6.97071 -14.9941 27.7249 -15.7984 14.2425 TIMING: 4652000 CPU: 14756.9, 0.00312445/step Wall: 14756.9, 0.00312445/step, 0.30203 hours remaining, 241.320312 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: 4652000 3944.0152 20670.6713 14431.0957 265.6016 -203552.3106 2541.4258 0.0000 0.0000 52239.0313 -109460.4697 300.2184 -161699.5009 -109100.7661 299.6483 173.6000 198.7574 761425.5248 9.0251 9.0363 PRESSURE: 4652200 219.482 228.989 -178.808 228.99 129.223 -114.154 -178.809 -114.154 156.335 GPRESSURE: 4652200 300.345 261.757 -150.132 219.192 145.491 -224.837 -63.8974 50.8442 164.139 PRESSAVG: 4652200 38.5627 -19.7976 -20.1334 -19.7976 9.48597 2.25909 -20.1335 2.25913 21.991 GPRESSAVG: 4652200 38.4649 -20.1676 -21.0073 -20.942 9.94767 1.54772 -19.3388 1.64162 21.6591 TIMING: 4652200 CPU: 14757.6, 0.0031353/step Wall: 14757.6, 0.0031353/step, 0.302905 hours remaining, 241.320312 MB of memory in use. ENERGY: 4652200 4015.6766 20510.7856 14346.0301 260.5196 -203607.6460 2733.4095 0.0000 0.0000 52441.6233 -109299.6014 301.3827 -161741.2246 -108947.7189 299.8002 168.3467 203.3248 760188.8117 23.3465 23.3572 LDB: ============= START OF LOAD BALANCING ============== 14770 LDB: ============== END OF LOAD BALANCING =============== 14770 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14770 LDB: ============= START OF LOAD BALANCING ============== 14770.3 LDB: Largest compute 7078 load 0.034017 is 17.4% of average load 0.195493 LDB: Average compute 0.004381 is 2.2% of average load 0.195493 LDB: TIME 14770.3 LOAD: AVG 0.195493 MAX 0.216673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 14770.3 LOAD: AVG 0.195493 MAX 0.216673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 14770.3 LOAD: AVG 0.195493 MAX 0.216673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 14770.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14770.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4652400 92.4472 -170.45 393.666 -170.449 -55.9795 -91.1084 393.667 -91.1085 122.577 GPRESSURE: 4652400 144.46 -87.254 411.278 -184.113 -34.7122 -94.854 218.731 21.0837 139.178 PRESSAVG: 4652400 -32.9837 0.672734 15.6061 0.672766 4.9627 36.51 15.6061 36.51 -4.12527 GPRESSAVG: 4652400 -33.7967 3.54915 18.1971 3.41707 5.09669 37.3198 11.8492 39.0274 -3.89499 TIMING: 4652400 CPU: 14758.2, 0.00321883/step Wall: 14758.2, 0.00321883/step, 0.310796 hours remaining, 243.121094 MB of memory in use. ENERGY: 4652400 4048.3970 20703.5723 14434.3695 244.9393 -203489.1034 2755.1091 0.0000 0.0000 52369.6506 -108933.0656 300.9691 -161302.7162 -108568.8952 300.4511 53.0150 82.9753 762403.7486 -10.7154 -10.8650 PRESSURE: 4652600 -129.588 145.503 -87.4166 145.503 -43.8839 -158.26 -87.4165 -158.26 -83.7783 GPRESSURE: 4652600 -129.326 147.455 -12.3967 -44.3214 -66.0163 -115.903 -108.271 -224.255 18.4778 PRESSAVG: 4652600 -44.6083 -31.455 -24.8819 -31.455 72.0878 14.7079 -24.8819 14.7079 9.67196 GPRESSAVG: 4652600 -43.2782 -32.7782 -24.027 -33.8294 70.6612 14.0863 -25.0256 13.9954 9.89777 TIMING: 4652600 CPU: 14758.8, 0.00312932/step Wall: 14758.8, 0.00312932/step, 0.30198 hours remaining, 243.121094 MB of memory in use. ENERGY: 4652600 4015.5578 20604.3862 14491.3450 240.2979 -203179.7382 2252.9337 0.0000 0.0000 52533.2366 -109041.9810 301.9092 -161575.2177 -108666.9587 300.3249 -85.7499 -58.9549 761521.4831 12.3838 12.4269 PRESSURE: 4652800 -92.3497 -43.9535 -77.0038 -43.9539 -83.3576 92.7919 -77.0036 92.791 585.777 GPRESSURE: 4652800 -55.8311 -40.0992 -94.162 31.6098 38.8462 17.5847 -59.6602 236.06 493.707 PRESSAVG: 4652800 -32.8775 -30.6443 -30.7338 -30.6443 5.59583 2.92203 -30.7338 2.92204 20.7131 GPRESSAVG: 4652800 -33.6894 -31.9326 -34.5022 -29.4989 7.44941 2.59061 -28.1499 2.57597 19.8325 TIMING: 4652800 CPU: 14759.5, 0.00314363/step Wall: 14759.5, 0.00314363/step, 0.303186 hours remaining, 243.121094 MB of memory in use. ENERGY: 4652800 3955.6082 20702.9303 14451.2305 218.4601 -202873.2333 2269.2546 0.0000 0.0000 52301.6731 -108974.0765 300.5784 -161275.7495 -108612.2929 300.6128 136.6900 158.9073 762370.0616 -2.1895 -2.1358 PRESSURE: 4653000 -93.1206 -181.06 146.305 -181.061 -271.559 35.1866 146.305 35.1878 90.4168 GPRESSURE: 4653000 -95.1855 -74.7698 205.971 -63.7665 -270.796 97.9172 75.8709 17.7271 169.616 PRESSAVG: 4653000 -40.1964 -59.1507 -10.7647 -59.1507 24.3615 -4.65276 -10.7648 -4.65286 -13.7347 GPRESSAVG: 4653000 -39.1361 -57.4097 -8.15361 -59.1312 23.2132 -2.68777 -12.0725 -6.25193 -13.3728 TIMING: 4653000 CPU: 14760.1, 0.00313234/step Wall: 14760.1, 0.00313234/step, 0.301922 hours remaining, 243.121094 MB of memory in use. ENERGY: 4653000 3945.8426 20762.8709 14414.4342 246.7361 -202571.9121 2158.0683 0.0000 0.0000 52098.5573 -108945.4027 299.4111 -161043.9600 -108582.4007 300.8217 -91.4208 -65.4551 761909.6671 -9.8565 -9.7652 PRESSURE: 4653200 32.3789 -12.6964 -157.842 -12.6957 -1.91344 -42.5077 -157.843 -42.5083 292.755 GPRESSURE: 4653200 80.7025 -129.194 -101.748 -26.8197 24.3086 -15.7048 -139.82 55.3951 322.305 PRESSAVG: 4653200 11.8808 -35.0412 -19.0031 -35.0412 -8.43767 -10.0216 -19.0031 -10.0216 -35.3354 GPRESSAVG: 4653200 11.1976 -34.9217 -19.5401 -37.1565 -8.48458 -11.6858 -18.505 -7.643 -34.0616 TIMING: 4653200 CPU: 14760.7, 0.00314163/step Wall: 14760.7, 0.00314163/step, 0.302644 hours remaining, 243.121094 MB of memory in use. ENERGY: 4653200 4070.1841 20549.6048 14442.6144 253.5404 -203273.9756 2443.8179 0.0000 0.0000 52243.3255 -109270.8884 300.2431 -161514.2140 -108910.2288 300.4252 107.7403 142.4386 760892.3800 -10.6307 -10.4495 PRESSURE: 4653400 -4.2169 -274.921 -194.972 -274.92 252.192 323.9 -194.972 323.9 541.049 GPRESSURE: 4653400 122.355 -171.139 -217.163 -261.33 310.038 318.757 -218.947 177.473 415.275 PRESSAVG: 4653400 31.4864 -41.4787 25.3998 -41.4786 -27.0673 37.3091 25.3997 37.3091 19.1743 GPRESSAVG: 4653400 32.5106 -40.3488 23.4991 -40.0724 -26.5306 38.3946 25.9751 36.1504 17.7262 TIMING: 4653400 CPU: 14761.4, 0.0031463/step Wall: 14761.4, 0.0031463/step, 0.302919 hours remaining, 243.121094 MB of memory in use. ENERGY: 4653400 4019.8451 20568.2508 14431.8889 255.2958 -203657.1332 2889.7665 0.0000 0.0000 52078.9710 -109413.1150 299.2986 -161492.0860 -109048.7277 300.4788 263.0080 282.5560 761834.2928 7.8645 7.9021 PRESSURE: 4653600 -24.0955 -42.4301 3.01486 -42.4299 -54.5407 104.851 3.01467 104.85 112.694 GPRESSURE: 4653600 -1.81258 37.3694 -49.5894 11.51 43.6182 175.267 72.5015 46.7384 80.0533 PRESSAVG: 4653600 -20.7577 -74.1959 -52.1507 -74.1959 24.3097 -11.9744 -52.1507 -11.9744 -11.799 GPRESSAVG: 4653600 -20.8106 -76.1795 -51.6937 -73.3659 23.7983 -10.762 -51.0164 -15.3707 -10.9616 TIMING: 4653600 CPU: 14762, 0.00315399/step Wall: 14762, 0.00315399/step, 0.303484 hours remaining, 243.121094 MB of memory in use. ENERGY: 4653600 4106.2652 20655.8022 14446.0949 243.5901 -203406.7588 2481.1907 0.0000 0.0000 52125.6742 -109348.1416 299.5670 -161473.8157 -108991.2145 299.6735 11.3525 40.6196 759080.7228 -2.7490 -2.6580 PRESSURE: 4653800 -155.87 -193.087 146.889 -193.087 -135.872 -48.4548 146.889 -48.4566 97.6953 GPRESSURE: 4653800 -174.497 -189.826 123.557 -81.5896 -16.9254 -104.959 4.42307 19.626 69.2323 PRESSAVG: 4653800 -51.7369 -15.3774 5.03859 -15.3774 55.8559 -23.9729 5.03858 -23.9729 -9.13768 GPRESSAVG: 4653800 -51.0727 -15.3554 5.59254 -16.5293 56.4515 -25.5767 2.72007 -19.2521 -10.526 TIMING: 4653800 CPU: 14762.6, 0.00314156/step Wall: 14762.6, 0.00314156/step, 0.302113 hours remaining, 243.121094 MB of memory in use. ENERGY: 4653800 4018.1420 20447.2754 14451.0022 256.8519 -203504.7757 2498.9732 0.0000 0.0000 52168.3429 -109664.1881 299.8122 -161832.5310 -109299.8785 299.8590 -64.6824 -40.7301 760884.1926 -1.6729 -1.7157 PRESSURE: 4654000 -13.2973 -220.73 251.619 -220.73 26.7519 -64.4584 251.619 -64.4574 37.7195 GPRESSURE: 4654000 18.4345 -92.2476 252.176 -214.032 19.531 -48.0851 290.234 -90.9078 97.4039 PRESSAVG: 4654000 3.39966 -16.8259 11.0099 -16.8258 23.9277 -1.06594 11.0099 -1.06607 0.0331063 GPRESSAVG: 4654000 1.2814 -16.618 11.53 -15.6104 23.9784 -3.1469 12.8265 -1.39229 1.25261 TIMING: 4654000 CPU: 14763.2, 0.00313155/step Wall: 14763.2, 0.00313155/step, 0.300977 hours remaining, 243.121094 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: 4654000 3939.7490 20571.2127 14489.8372 228.8364 -203300.0321 2358.2036 0.0000 0.0000 52106.6569 -109605.5363 299.4577 -161712.1932 -109234.1708 299.4028 17.0580 45.1231 760671.9578 9.1202 8.8375 PRESSURE: 4654200 382.499 -248.194 -76.9797 -248.195 -152.871 -117.594 -76.9789 -117.594 174.155 GPRESSURE: 4654200 330.712 -110.863 -34.0464 -171.642 14.2911 -84.7146 51.4807 -74.1405 128.641 PRESSAVG: 4654200 -27.2991 -31.9794 36.4778 -31.9793 3.37145 -5.37468 36.4778 -5.37465 15.2809 GPRESSAVG: 4654200 -26.0845 -34.5035 35.8191 -31.5099 3.63127 -2.69558 38.3761 -6.24872 13.9537 TIMING: 4654200 CPU: 14763.9, 0.00313688/step Wall: 14763.9, 0.00313688/step, 0.301315 hours remaining, 243.121094 MB of memory in use. ENERGY: 4654200 3922.7457 20493.6245 14523.1822 251.0709 -203339.7685 2510.4647 0.0000 0.0000 51893.3645 -109745.3161 298.2319 -161638.6806 -109375.6069 299.0836 134.5943 157.8814 760050.9617 -2.8823 -2.8332 PRESSURE: 4654400 101.389 -3.9899 83.4065 -3.98902 -79.2108 142.593 83.4057 142.594 82.3104 GPRESSURE: 4654400 -9.61824 14.9156 78.3689 -8.17421 45.4717 110.49 39.5859 79.2712 170.166 PRESSAVG: 4654400 25.9764 -54.1777 -8.00193 -54.1777 -33.634 -18.8613 -8.00192 -18.8612 -10.5069 GPRESSAVG: 4654400 24.5619 -53.2321 -8.15219 -56.1517 -32.3715 -18.5703 -10.6466 -20.7347 -9.82684 TIMING: 4654400 CPU: 14764.5, 0.00314436/step Wall: 14764.5, 0.00314436/step, 0.301859 hours remaining, 243.121094 MB of memory in use. ENERGY: 4654400 3958.3719 20442.2747 14466.7293 250.9588 -203778.0293 2663.5236 0.0000 0.0000 52274.6383 -109721.5328 300.4231 -161996.1710 -109352.9251 298.9394 34.8296 68.6732 759637.5633 -6.0548 -5.8788 PRESSURE: 4654600 -114.751 -127.306 -66.2754 -127.307 -45.774 191.347 -66.2747 191.348 165.854 GPRESSURE: 4654600 -79.9193 -73.1872 -78.6605 27.6355 -19.1498 210.048 -20.6162 65.4595 189.85 PRESSAVG: 4654600 -2.12282 -27.9913 30.2826 -27.9914 29.3406 -48.047 30.2826 -48.047 -17.9637 GPRESSAVG: 4654600 -1.07418 -28.3807 30.8278 -28.1546 27.7263 -49.5678 30.9463 -48.9035 -17.9558 TIMING: 4654600 CPU: 14765.1, 0.00314525/step Wall: 14765.1, 0.00314525/step, 0.301769 hours remaining, 243.121094 MB of memory in use. ENERGY: 4654600 3994.7213 20673.8663 14486.0180 238.4788 -203403.4372 2460.0985 0.0000 0.0000 51909.8165 -109640.4379 298.3264 -161550.2543 -109284.5820 298.9571 1.7762 30.2602 761222.0946 3.0847 2.8988 PRESSURE: 4654800 233.929 -55.6365 75.3945 -55.6366 118.735 -228.542 75.3938 -228.542 -285.441 GPRESSURE: 4654800 169.147 28.2296 138.83 -82.6504 263.424 -250.526 91.5398 -214.748 -296.41 PRESSAVG: 4654800 -22.6395 8.55451 25.8243 8.55449 7.51809 -2.9341 25.8243 -2.93401 12.3197 GPRESSAVG: 4654800 -21.9818 9.22618 26.1963 10.6019 7.04515 -3.0713 25.1173 -0.529991 12.2084 TIMING: 4654800 CPU: 14765.8, 0.00313104/step Wall: 14765.8, 0.00313104/step, 0.300232 hours remaining, 243.121094 MB of memory in use. ENERGY: 4654800 3968.4299 20475.4543 14499.9329 239.8584 -203766.6091 2839.2582 0.0000 0.0000 52123.4667 -109620.2087 299.5543 -161743.6754 -109247.3437 299.2495 22.4078 45.3874 760338.3105 -0.9339 -0.9094 PRESSURE: 4655000 8.35825 177.795 -99.0715 177.795 -200.811 -11.6445 -99.0717 -11.6433 135.901 GPRESSURE: 4655000 165.77 135.34 -58.8841 177.387 -254.32 5.03629 21.7138 45.5819 113.884 PRESSAVG: 4655000 25.1661 23.0525 4.02801 23.0525 8.08796 40.2032 4.02798 40.2032 -13.9979 GPRESSAVG: 4655000 24.1817 25.109 3.36792 21.9148 8.48691 41.4794 5.34406 39.484 -13.4277 TIMING: 4655000 CPU: 14766.4, 0.00313092/step Wall: 14766.4, 0.00313092/step, 0.300047 hours remaining, 243.121094 MB of memory in use. ENERGY: 4655000 3919.5505 20734.0682 14458.0099 244.2575 -203505.6184 2464.8197 0.0000 0.0000 52168.9306 -109515.9819 299.8156 -161684.9125 -109159.2659 299.4660 -18.8506 8.4448 760344.2202 6.4187 6.4136 PRESSURE: 4655200 -140.628 10.0174 50.4221 10.0165 19.2847 52.6201 50.4217 52.62 279.195 GPRESSURE: 4655200 -8.42639 92.6772 -22.4652 -63.3772 18.6103 -28.3419 -16.1016 -39.6195 255.781 PRESSAVG: 4655200 4.30411 -23.5538 -11.6901 -23.5538 -27.2743 27.7438 -11.6901 27.7437 27.3031 GPRESSAVG: 4655200 5.02466 -27.0466 -12.6536 -21.6945 -28.223 28.4129 -10.9421 27.2037 27.7524 TIMING: 4655200 CPU: 14767, 0.00312031/step Wall: 14767, 0.00312031/step, 0.298856 hours remaining, 243.121094 MB of memory in use. ENERGY: 4655200 3949.0526 20637.6653 14460.7541 228.5800 -203652.6454 2740.8949 0.0000 0.0000 52200.2881 -109435.4103 299.9958 -161635.6985 -109078.3421 299.4859 52.6174 88.6550 760094.1221 1.4443 1.5180 PRESSURE: 4655400 -137.015 86.8075 -173.414 86.8066 -415.886 -59.4515 -173.414 -59.4509 -151.314 GPRESSURE: 4655400 -138.326 82.4397 -115.257 33.2137 -310.152 -194.768 -45.0516 -87.04 -169.363 PRESSAVG: 4655400 26.1419 -71.5813 41.0011 -71.5813 -0.91668 -12.4531 41.0012 -12.453 4.3851 GPRESSAVG: 4655400 24.4376 -69.8222 43.4106 -72.748 1.30041 -13.7328 39.022 -12.5419 4.66381 TIMING: 4655400 CPU: 14767.6, 0.00311324/step Wall: 14767.6, 0.00311324/step, 0.298007 hours remaining, 243.121094 MB of memory in use. ENERGY: 4655400 4042.2561 20607.6445 14461.9069 236.0164 -203675.0019 2673.2555 0.0000 0.0000 52309.3960 -109344.5265 300.6228 -161653.9225 -108984.3017 300.0619 -234.7384 -205.9468 762246.1742 9.8701 10.1339 PRESSURE: 4655600 -12.4457 -173.35 15.1677 -173.35 -128.379 -146.397 15.1672 -146.397 250.983 GPRESSURE: 4655600 -5.07068 -124.751 1.11641 -172.073 -104.515 -148.534 -9.81679 -153.341 295.971 PRESSAVG: 4655600 -45.1031 -47.4165 -1.01551 -47.4166 44.541 -0.346668 -1.01555 -0.3467 31.0086 GPRESSAVG: 4655600 -43.4668 -47.8767 -1.64017 -46.8312 42.5485 -3.65206 -0.554222 1.78563 31.6614 TIMING: 4655600 CPU: 14768.3, 0.00314819/step Wall: 14768.3, 0.00314819/step, 0.301177 hours remaining, 243.121094 MB of memory in use. ENERGY: 4655600 3991.6104 20709.3295 14448.0360 240.1566 -203422.3945 2551.3961 0.0000 0.0000 52074.6886 -109407.1773 299.2740 -161481.8659 -109039.6962 299.6079 36.7195 62.1286 761514.6639 10.1488 10.2477 PRESSURE: 4655800 -297.361 -53.7004 157.101 -53.7001 -385.273 62.6143 157.101 62.615 132.792 GPRESSURE: 4655800 -208.347 -99.3235 230.774 -142.449 -378.507 15.2176 -28.6573 74.0984 127.245 PRESSAVG: 4655800 14.0031 -65.3954 -18.5136 -65.3953 -38.451 -19.6882 -18.5136 -19.6882 -15.2786 GPRESSAVG: 4655800 13.0597 -65.9878 -18.9286 -66.2288 -36.3765 -16.5133 -19.3329 -21.4471 -16.3194 TIMING: 4655800 CPU: 14768.9, 0.00312945/step Wall: 14768.9, 0.00312945/step, 0.29921 hours remaining, 243.121094 MB of memory in use. ENERGY: 4655800 3974.2054 20600.5360 14384.4157 246.7247 -203358.9045 2267.6102 0.0000 0.0000 52480.4616 -109404.9509 301.6059 -161885.4125 -109026.5632 300.2371 -183.2806 -153.2031 761276.4855 -13.2422 -13.2121 PRESSURE: 4656000 189.421 -51.0882 -375.79 -51.0875 162.519 16.9688 -375.791 16.969 477.204 GPRESSURE: 4656000 316.759 -119.845 -403.978 -28.1591 162.588 22.0636 -149.139 -19.5876 415.515 PRESSAVG: 4656000 -39.7121 -5.86401 -10.2994 -5.86403 50.4701 18.5215 -10.2994 18.5215 -9.40067 GPRESSAVG: 4656000 -40.9024 -3.66694 -10.5794 -4.35351 50.6083 19.2757 -8.56076 17.9187 -8.63853 TIMING: 4656000 CPU: 14769.5, 0.003135/step Wall: 14769.5, 0.003135/step, 0.299567 hours remaining, 243.121094 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: 4656000 3906.5347 20516.9544 14443.5752 247.8853 -203151.5836 2417.9166 0.0000 0.0000 52177.6102 -109441.1072 299.8654 -161618.7174 -109080.0959 299.9473 276.3816 298.2871 759443.0659 0.4524 0.3558 PRESSURE: 4656200 106.462 -118.251 -399.06 -118.251 -64.4472 -232.076 -399.061 -232.076 -77.8487 GPRESSURE: 4656200 86.7587 -53.1977 -430.531 -15.7601 -36.121 -254.335 -203.837 -140.637 24.9235 PRESSAVG: 4656200 -3.52542 -8.44687 -42.0066 -8.44684 2.13527 -9.14581 -42.0067 -9.14576 9.17672 GPRESSAVG: 4656200 -3.14514 -9.34644 -41.0291 -9.69338 2.11302 -10.6075 -44.4033 -7.4824 9.61772 TIMING: 4656200 CPU: 14770.1, 0.00312631/step Wall: 14770.1, 0.00312631/step, 0.298563 hours remaining, 243.121094 MB of memory in use. ENERGY: 4656200 3944.0377 20565.0542 14483.4297 244.6613 -203180.7236 2288.3967 0.0000 0.0000 52314.6278 -109340.5163 300.6529 -161655.1440 -108969.4156 300.2667 -11.9445 25.1870 759513.6273 2.5955 2.8619 LDB: ============= START OF LOAD BALANCING ============== 14782.6 LDB: ============== END OF LOAD BALANCING =============== 14782.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14782.6 LDB: ============= START OF LOAD BALANCING ============== 14782.9 LDB: Largest compute 7078 load 0.033932 is 17.4% of average load 0.195544 LDB: Average compute 0.004400 is 2.3% of average load 0.195544 LDB: TIME 14782.9 LOAD: AVG 0.195544 MAX 0.218321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.539 MB LDB: TIME 14782.9 LOAD: AVG 0.195544 MAX 0.218321 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.543 MB LDB: TIME 14782.9 LOAD: AVG 0.195544 MAX 0.218234 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.543 MB LDB: ============== END OF LOAD BALANCING =============== 14782.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14782.9 PRESSURE: 4656400 357.848 -8.35292 -66.9365 -8.35185 -140.27 236.969 -66.9364 236.969 -152.317 GPRESSURE: 4656400 388.827 -27.7365 -50.3307 -80.365 -146.914 209.659 -102.624 238.913 -95.5283 PRESSAVG: 4656400 -26.7697 -13.3752 -19.7614 -13.3751 -8.8775 -15.8884 -19.7614 -15.8884 39.5431 GPRESSAVG: 4656400 -25.886 -12.0831 -20.4606 -13.3711 -9.2504 -15.242 -20.004 -15.9376 39.411 TIMING: 4656400 CPU: 14770.8, 0.00320298/step Wall: 14770.8, 0.00320298/step, 0.305707 hours remaining, 240.605469 MB of memory in use. ENERGY: 4656400 3945.3834 20611.3166 14517.4007 248.3841 -203406.0658 2567.1397 0.0000 0.0000 52211.6962 -109304.7450 300.0613 -161516.4412 -108935.1390 300.3386 21.7536 48.7951 760323.7030 1.2987 1.4249 PRESSURE: 4656600 249.35 56.1966 -76.971 56.1969 -129.297 54.169 -76.9712 54.1692 -255.641 GPRESSURE: 4656600 155.03 39.0841 -58.5141 29.4373 -12.6113 14.9626 -65.0981 -129.312 -186.531 PRESSAVG: 4656600 52.6116 -13.9578 -31.2246 -13.9578 -32.9583 -15.2045 -31.2246 -15.2044 25.7472 GPRESSAVG: 4656600 51.9034 -14.092 -30.9271 -13.9465 -32.4278 -15.346 -28.691 -18.1135 26.2195 TIMING: 4656600 CPU: 14771.4, 0.0031514/step Wall: 14771.4, 0.0031514/step, 0.300609 hours remaining, 240.808594 MB of memory in use. ENERGY: 4656600 3922.3785 20672.5188 14474.2278 256.1432 -203448.5169 2674.1282 0.0000 0.0000 52099.8150 -109349.3055 299.4184 -161449.1205 -108990.9936 299.9127 -45.1959 -14.7039 761238.9726 15.1335 15.2317 PRESSURE: 4656800 84.8648 -21.2514 132.601 -21.2524 41.3402 23.1463 132.6 23.1465 -259.901 GPRESSURE: 4656800 117.819 33.212 107.152 16.25 87.2238 58.725 156.781 16.3245 -274.815 PRESSAVG: 4656800 23.1778 -11.5977 -15.6352 -11.5977 17.8658 -74.0187 -15.6352 -74.0187 -12.8098 GPRESSAVG: 4656800 24.8318 -11.6216 -16.5008 -11.3524 17.0618 -74.2023 -16.6542 -73.0089 -14.3099 TIMING: 4656800 CPU: 14772, 0.00316772/step Wall: 14772, 0.00316772/step, 0.301989 hours remaining, 240.808594 MB of memory in use. ENERGY: 4656800 3950.4385 20593.8046 14486.6131 246.0042 -203007.6688 2567.3200 0.0000 0.0000 51900.1042 -109263.3843 298.2706 -161163.4884 -108897.8687 299.1662 -44.5654 -23.2574 762432.4812 9.4113 9.1946 PRESSURE: 4657000 -158.215 -15.9466 44.7177 -15.9451 -239.069 146.194 44.7181 146.194 239.911 GPRESSURE: 4657000 -75.8348 -99.0251 29.8904 12.5771 -205.482 161.009 28.54 170.24 199.963 PRESSAVG: 4657000 -22.3984 -5.99466 44.6429 -5.99453 -5.03035 1.52999 44.643 1.52994 24.6551 GPRESSAVG: 4657000 -23.2169 -9.73328 43.7059 -3.52304 -5.99685 1.69287 45.2654 3.64301 25.9621 TIMING: 4657000 CPU: 14772.7, 0.00315491/step Wall: 14772.7, 0.00315491/step, 0.300592 hours remaining, 240.808594 MB of memory in use. ENERGY: 4657000 3929.3470 20635.4659 14472.4171 231.1615 -203301.0096 2408.7119 0.0000 0.0000 52268.5193 -109355.3868 300.3879 -161623.9061 -108985.2776 300.0208 -52.4573 -27.1178 761442.3969 -0.9246 -1.0839 PRESSURE: 4657200 -233.425 219.144 -24.6871 219.144 -509.437 -291.071 -24.6869 -291.072 -3.02286 GPRESSURE: 4657200 -256.928 70.8358 -60.3917 108.966 -370.653 -255.422 -54.9766 -327.556 -22.3861 PRESSAVG: 4657200 21.4609 -14.7669 49.8544 -14.7669 39.6929 -74.9641 49.8544 -74.9642 7.45761 GPRESSAVG: 4657200 21.3279 -12.4169 50.8041 -18.6518 41.3615 -73.4314 49.2464 -78.2952 6.63091 TIMING: 4657200 CPU: 14773.3, 0.0031495/step Wall: 14773.3, 0.0031495/step, 0.299903 hours remaining, 240.808594 MB of memory in use. ENERGY: 4657200 4041.2004 20540.6777 14443.4816 258.4977 -202921.0019 2339.1678 0.0000 0.0000 51864.6971 -109433.2795 298.0671 -161297.9765 -109078.9495 299.3985 -248.6284 -216.6558 763559.9092 22.8704 23.1068 PRESSURE: 4657400 -395.386 -303.183 9.99391 -303.184 -123.925 -63.0229 9.99337 -63.0225 -64.1885 GPRESSURE: 4657400 -263.142 -193.336 19.6031 -288.892 -145.238 43.2077 116.186 -133.961 -76.135 PRESSAVG: 4657400 32.5539 -21.7019 -9.62517 -21.7019 -22.5139 -75.3301 -9.62521 -75.3302 5.79388 GPRESSAVG: 4657400 32.9715 -21.2882 -9.47274 -18.5566 -23.776 -76.3792 -8.44435 -75.7191 6.95281 TIMING: 4657400 CPU: 14773.9, 0.00313536/step Wall: 14773.9, 0.00313536/step, 0.298382 hours remaining, 240.808594 MB of memory in use. ENERGY: 4657400 3932.6163 20664.8879 14498.2784 243.3850 -203209.3070 2332.4005 0.0000 0.0000 52074.0290 -109463.7100 299.2702 -161537.7389 -109104.9756 299.2562 -194.5000 -161.5052 761509.4083 5.2779 5.3828 PRESSURE: 4657600 -34.0134 56.2417 101.059 56.242 220.341 -95.9504 101.058 -95.9506 34.7012 GPRESSURE: 4657600 -13.5904 132.675 14.8039 -77.6351 268.305 -26.1957 143.698 -39.2939 38.7877 PRESSAVG: 4657600 -6.47552 -35.081 41.3885 -35.081 29.7048 0.265707 41.3885 0.265672 12.7259 GPRESSAVG: 4657600 -5.82856 -33.7901 40.6431 -39.1515 30.4819 -1.13756 39.8354 3.79242 11.1458 TIMING: 4657600 CPU: 14774.5, 0.00313099/step Wall: 14774.5, 0.00313099/step, 0.297792 hours remaining, 240.808594 MB of memory in use. ENERGY: 4657600 3969.3330 20581.6360 14496.6150 220.3802 -203194.3577 2327.6662 0.0000 0.0000 52137.3827 -109461.3445 299.6343 -161598.7272 -109097.3580 299.9541 73.6763 97.8340 759968.4454 11.9850 11.9330 PRESSURE: 4657800 -202.915 155.033 -12.9852 155.032 -179.065 -27.2951 -12.9856 -27.2943 -222.878 GPRESSURE: 4657800 -131.723 120.001 -18.5158 224.509 -168.583 -130.879 17.528 2.82018 -216.596 PRESSAVG: 4657800 -20.8961 -62.2603 31.9876 -62.2602 73.0246 -3.71317 31.9875 -3.71314 -21.7521 GPRESSAVG: 4657800 -21.4227 -65.4413 32.2848 -58.7828 73.0224 -5.06879 32.774 -4.15483 -21.1663 TIMING: 4657800 CPU: 14775.2, 0.00314079/step Wall: 14775.2, 0.00314079/step, 0.298549 hours remaining, 240.808594 MB of memory in use. ENERGY: 4657800 4051.5756 20515.6021 14440.2515 226.7997 -203529.6813 2322.9625 0.0000 0.0000 52415.2922 -109557.1976 301.2314 -161972.4898 -109189.1269 300.2147 -201.6191 -172.3006 760584.0100 10.1255 10.1445 PRESSURE: 4658000 -368.609 -127.264 -7.8109 -127.264 -193.12 -41.096 -7.81101 -41.0955 -93.0361 GPRESSURE: 4658000 -285.763 -172.603 -58.9846 -13.606 -246.08 -3.61216 138.998 -59.9598 -32.1551 PRESSAVG: 4658000 -6.57631 -30.6942 -17.2363 -30.6943 -31.9072 -10.5583 -17.2363 -10.5583 1.14663 GPRESSAVG: 4658000 -7.10718 -27.6509 -16.0458 -31.7164 -31.5189 -7.08279 -19.3268 -12.607 2.1099 TIMING: 4658000 CPU: 14775.8, 0.00313452/step Wall: 14775.8, 0.00313452/step, 0.297779 hours remaining, 240.808594 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: 4658000 4025.7299 20689.7542 14514.8255 235.0135 -203417.1146 2290.3867 0.0000 0.0000 51994.0798 -109667.3250 298.8107 -161661.4048 -109308.0414 299.7053 -218.2551 -187.9994 759856.6999 -12.4456 -12.1721 PRESSURE: 4658200 119.048 156.422 139.164 156.422 7.317 -74.9233 139.164 -74.9256 141.289 GPRESSURE: 4658200 71.9673 8.05881 79.8518 191.271 127.118 -186.013 108.359 -0.383562 145.982 PRESSAVG: 4658200 -23.0868 -15.6581 2.75018 -15.6581 37.3365 -43.6599 2.75022 -43.6599 10.0026 GPRESSAVG: 4658200 -23.2249 -18.3963 2.42926 -14.672 36.7219 -46.5054 4.51526 -42.6232 10.6466 TIMING: 4658200 CPU: 14776.4, 0.00313668/step Wall: 14776.4, 0.00313668/step, 0.297811 hours remaining, 240.808594 MB of memory in use. ENERGY: 4658200 4012.3530 20590.3437 14538.2167 246.0970 -204133.6398 2854.5632 0.0000 0.0000 51996.2812 -109895.7851 298.8233 -161892.0662 -109532.9054 299.1628 89.2180 115.0223 758645.1311 8.0841 8.0479 PRESSURE: 4658400 -24.0235 -72.9593 -27.5256 -72.9597 76.1298 -42.4309 -27.5261 -42.431 280.62 GPRESSURE: 4658400 50.4589 -75.7612 -0.586252 -9.38476 171.349 -57.837 -2.64835 -57.7781 194.679 PRESSAVG: 4658400 -53.7899 -10.1595 32.5309 -10.1595 47.3738 -11.7674 32.5308 -11.7673 4.91549 GPRESSAVG: 4658400 -52.4701 -7.38045 33.0938 -12.3588 47.2556 -12.0636 30.4307 -9.53717 3.96654 TIMING: 4658400 CPU: 14777.1, 0.00313831/step Wall: 14777.1, 0.00313831/step, 0.297791 hours remaining, 240.808594 MB of memory in use. ENERGY: 4658400 4052.7625 20475.3449 14484.0221 236.5517 -203595.1256 2430.5474 0.0000 0.0000 52015.2144 -109900.6826 298.9322 -161915.8970 -109533.3803 299.1874 110.9086 138.8288 759407.1847 -0.5002 -0.4160 PRESSURE: 4658600 126.989 35.5802 169.603 35.5805 123.194 69.6171 169.603 69.6175 -64.7044 GPRESSURE: 4658600 185.289 -3.53004 214.031 165.716 202.819 99.7248 179.344 15.2913 -94.2099 PRESSAVG: 4658600 -13.6264 -6.40138 -24.4579 -6.40133 38.93 12.9925 -24.4578 12.9925 0.486989 GPRESSAVG: 4658600 -14.2123 -7.78023 -24.3983 -4.1655 39.722 15.0401 -22.9236 9.87876 0.368424 TIMING: 4658600 CPU: 14777.7, 0.00312331/step Wall: 14777.7, 0.00312331/step, 0.296194 hours remaining, 240.808594 MB of memory in use. ENERGY: 4658600 3959.8515 20433.8244 14503.7200 241.3773 -203976.1132 2898.4252 0.0000 0.0000 52102.5635 -109836.3512 299.4341 -161938.9147 -109459.6354 298.7916 61.8263 97.9662 759698.5133 8.5969 8.6260 PRESSURE: 4658800 -35.3778 140.452 -51.3142 140.453 200.497 -81.8572 -51.3126 -81.8566 -36.447 GPRESSURE: 4658800 -51.4189 189.62 -53.3905 226.304 229.84 -93.4296 5.71337 28.3402 31.4501 PRESSAVG: 4658800 -17.9038 -9.63055 -0.160507 -9.6306 61.44 -2.16675 -0.160507 -2.1667 -9.50511 GPRESSAVG: 4658800 -19.4267 -8.08873 -1.76177 -10.2746 61.2317 -2.15206 1.50438 -3.29744 -8.11618 TIMING: 4658800 CPU: 14778.3, 0.00312729/step Wall: 14778.3, 0.00312729/step, 0.296398 hours remaining, 240.808594 MB of memory in use. ENERGY: 4658800 4003.6258 20515.1277 14456.5109 263.7232 -203779.8340 2617.0106 0.0000 0.0000 51959.2431 -109964.5926 298.6105 -161923.8358 -109602.7609 298.4788 42.8907 69.9571 760759.8315 11.3437 11.2296 PRESSURE: 4659000 214.892 -181.519 -251.929 -181.519 -124.738 60.816 -251.928 60.8153 -342.064 GPRESSURE: 4659000 195.908 -154.756 -339.639 -219.433 -20.002 -5.50272 -316.339 71.8209 -345.469 PRESSAVG: 4659000 8.96398 11.7764 53.7895 11.7764 -19.4205 26.7472 53.7895 26.7472 -13.5132 GPRESSAVG: 4659000 9.02879 9.7234 53.8894 12.1729 -19.1199 27.0182 53.148 27.8251 -13.9611 TIMING: 4659000 CPU: 14778.9, 0.00311338/step Wall: 14778.9, 0.00311338/step, 0.294906 hours remaining, 240.808594 MB of memory in use. ENERGY: 4659000 3937.1280 20625.2757 14476.5232 256.2313 -203596.5918 2617.1939 0.0000 0.0000 51994.9686 -109689.2712 298.8158 -161684.2397 -109329.0249 298.7219 -83.9701 -56.5210 762709.8685 -7.9899 -8.0174 PRESSURE: 4659200 -12.8335 32.8887 -140.279 32.8898 -232.842 119.548 -140.279 119.548 148.93 GPRESSURE: 4659200 0.620805 140.18 -162.42 12.538 -117.472 86.5302 -62.7963 11.4374 92.6575 PRESSAVG: 4659200 -11.2669 -20.6861 -5.27367 -20.6861 -24.6055 54.439 -5.27364 54.439 18.6976 GPRESSAVG: 4659200 -10.4862 -20.8671 -4.06325 -21.9383 -25.8057 52.1539 -5.68668 53.3798 18.9305 TIMING: 4659200 CPU: 14779.6, 0.00311172/step Wall: 14779.6, 0.00311172/step, 0.294576 hours remaining, 240.808594 MB of memory in use. ENERGY: 4659200 3864.5641 20629.8958 14474.5544 247.3390 -202960.0139 2048.1094 0.0000 0.0000 52023.2948 -109672.2564 298.9786 -161695.5511 -109305.5718 299.1567 -32.2485 -8.0645 760869.2248 -5.7249 -5.7871 PRESSURE: 4659400 -93.0019 -96.9527 -181.579 -96.9531 -308.265 -247.037 -181.578 -247.037 -525.247 GPRESSURE: 4659400 -109.06 -99.1882 -22.8864 -199.397 -211.627 -240.068 -146.482 23.3904 -517.962 PRESSAVG: 4659400 -30.9829 -36.5782 -28.4919 -36.5781 19.571 1.75508 -28.4919 1.75513 -16.6355 GPRESSAVG: 4659400 -30.8786 -35.6061 -28.9377 -35.7984 19.6084 3.53362 -29.2471 3.45809 -17.1936 TIMING: 4659400 CPU: 14780.2, 0.00312625/step Wall: 14780.2, 0.00312625/step, 0.295778 hours remaining, 240.808594 MB of memory in use. ENERGY: 4659400 3999.4125 20593.7292 14452.3879 250.4979 -203241.0850 2326.6133 0.0000 0.0000 51916.3178 -109702.1264 298.3638 -161618.4442 -109343.0312 299.0487 -308.8381 -279.5496 761018.9705 -9.3492 -9.4879 PRESSURE: 4659600 -132.995 -224.12 -158.094 -224.12 -42.6083 -83.5582 -158.094 -83.5575 -192.926 GPRESSURE: 4659600 -59.8751 -158.884 -193.625 -282.735 -52.8545 -106.925 -201.433 -74.9299 -165.489 PRESSAVG: 4659600 -40.063 -30.3384 -5.40434 -30.3384 43.4406 -4.38969 -5.40432 -4.38972 -3.05213 GPRESSAVG: 4659600 -41.4828 -31.3614 -4.71645 -29.9826 43.9725 -4.56828 -3.60197 -5.02971 -2.1171 TIMING: 4659600 CPU: 14780.8, 0.00312318/step Wall: 14780.8, 0.00312318/step, 0.295314 hours remaining, 240.808594 MB of memory in use. ENERGY: 4659600 4026.3426 20329.1851 14448.7418 220.2619 -203586.2555 2752.5192 0.0000 0.0000 52257.8192 -109551.3857 300.3264 -161809.2049 -109178.9581 299.0801 -122.8431 -92.7394 759829.3465 0.1085 0.1242 PRESSURE: 4659800 65.4353 3.37523 -26.6753 3.37492 30.3697 126.404 -26.6762 126.403 -42.0336 GPRESSURE: 4659800 61.3422 -12.9088 -44.949 -15.6771 109.423 117.818 -164.359 46.8963 -39.5092 PRESSAVG: 4659800 -23.4541 5.03804 -29.3789 5.03802 40.523 63.3479 -29.3789 63.3479 11.8092 GPRESSAVG: 4659800 -21.7538 3.90234 -29.9677 6.24407 39.7524 61.2417 -29.9525 62.7354 11.0314 TIMING: 4659800 CPU: 14781.4, 0.00316604/step Wall: 14781.4, 0.00316604/step, 0.29919 hours remaining, 240.808594 MB of memory in use. ENERGY: 4659800 3922.1416 20601.5696 14514.6265 253.8103 -203400.9594 2551.1989 0.0000 0.0000 52207.6077 -109350.0048 300.0378 -161557.6125 -108995.6804 299.6179 17.9238 43.7520 759612.2868 9.6260 9.6766 PRESSURE: 4660000 -138.666 22.5551 -198.569 22.5552 -16.1356 -89.3153 -198.569 -89.3157 -188.754 GPRESSURE: 4660000 -124.073 94.4856 -173.905 45.4298 39.3071 -89.8617 -149.007 -157.343 -193.251 PRESSAVG: 4660000 10.0615 80.9527 23.9012 80.9527 41.5287 18.9589 23.9012 18.9589 11.5266 GPRESSAVG: 4660000 10.1725 83.4879 23.3181 79.6096 41.9677 20.0426 22.0638 20.112 10.5953 TIMING: 4660000 CPU: 14782.1, 0.00313938/step Wall: 14782.1, 0.00313938/step, 0.296497 hours remaining, 240.808594 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: 4660000 3860.1721 20711.3028 14532.6818 235.2916 -203541.6736 2670.2439 0.0000 0.0000 52286.9090 -109245.0725 300.4936 -161531.9815 -108888.5999 300.3857 -114.5185 -92.6722 761583.8429 21.0389 20.9118 PRESSURE: 4660200 -102.04 2.29388 32.9286 2.29338 -305.691 42.4784 32.9289 42.4775 -226.807 GPRESSURE: 4660200 -162.626 4.79712 57.9037 84.1543 -195.6 41.2393 17.4438 73.272 -166.854 PRESSAVG: 4660200 -18.149 33.4905 9.48574 33.4905 15.1459 -4.98016 9.4857 -4.9802 -6.97208 GPRESSAVG: 4660200 -18.0468 32.7924 10.5141 35.0076 14.8964 -6.53675 11.6966 -2.71883 -6.74627 TIMING: 4660200 CPU: 14782.7, 0.00312574/step Wall: 14782.7, 0.00312574/step, 0.295035 hours remaining, 240.808594 MB of memory in use. ENERGY: 4660200 3994.7898 20636.3928 14459.9060 270.5849 -202761.9703 2225.7847 0.0000 0.0000 51849.6931 -109324.8190 297.9809 -161174.5122 -108959.6761 299.8342 -211.5125 -175.0266 763174.7411 -3.3251 -3.2989 LDB: ============= START OF LOAD BALANCING ============== 14795.1 LDB: ============== END OF LOAD BALANCING =============== 14795.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14795.1 LDB: ============= START OF LOAD BALANCING ============== 14795.5 LDB: Largest compute 7077 load 0.035636 is 18.2% of average load 0.195539 LDB: Average compute 0.004378 is 2.2% of average load 0.195539 LDB: TIME 14795.5 LOAD: AVG 0.195539 MAX 0.218585 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.102 MB LDB: TIME 14795.5 LOAD: AVG 0.195539 MAX 0.218585 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.105 MB LDB: TIME 14795.5 LOAD: AVG 0.195539 MAX 0.21815 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.105 MB LDB: ============== END OF LOAD BALANCING =============== 14795.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14795.5 PRESSURE: 4660400 -199.078 116.478 137.334 116.479 -127.456 210.212 137.334 210.212 23.2531 GPRESSURE: 4660400 -94.2101 31.2053 143.389 -46.6329 -135.353 186.465 79.5239 191.791 27.5531 PRESSAVG: 4660400 3.61877 3.37709 28.9194 3.37707 2.04418 -24.5344 28.9193 -24.5345 -16.8538 GPRESSAVG: 4660400 3.71024 2.19656 27.7364 3.60868 1.81816 -24.7348 26.7594 -25.9036 -16.2561 TIMING: 4660400 CPU: 14783.3, 0.00322585/step Wall: 14783.3, 0.00322585/step, 0.304305 hours remaining, 240.550781 MB of memory in use. ENERGY: 4660400 4056.8258 20511.2984 14517.8800 250.1539 -203403.9661 2581.5973 0.0000 0.0000 51874.7907 -109611.4200 298.1251 -161486.2106 -109252.2659 299.0842 -101.0934 -67.3366 762290.1897 -3.7303 -3.5759 PRESSURE: 4660600 -54.4978 -66.7591 -32.2252 -66.7598 120.108 52.9214 -32.2248 52.9203 -136.816 GPRESSURE: 4660600 -12.7042 -266.119 -55.5933 -63.7242 71.5757 29.347 -63.7986 65.6325 -41.3269 PRESSAVG: 4660600 -6.20882 -1.23882 48.5689 -1.23881 88.2684 -29.3959 48.5688 -29.3959 -1.60684 GPRESSAVG: 4660600 -5.95069 0.14154 48.7369 -2.6512 87.2292 -28.1167 49.7167 -31.4673 -0.459723 TIMING: 4660600 CPU: 14784, 0.00315738/step Wall: 14784, 0.00315738/step, 0.297671 hours remaining, 240.753906 MB of memory in use. ENERGY: 4660600 3980.2456 20716.2954 14469.7537 264.2165 -203595.0378 2492.9502 0.0000 0.0000 52239.4998 -109432.0765 300.2211 -161671.5763 -109073.8075 299.3675 -23.7352 5.8482 761297.9777 26.8176 26.9396 PRESSURE: 4660800 137.241 -279.479 -104.101 -279.48 190.052 -56.4462 -104.101 -56.4448 351.778 GPRESSURE: 4660800 136.241 -185.715 -142.536 -198.97 219.115 -166.709 -154.041 -159.603 407.773 PRESSAVG: 4660800 -70.2589 -42.0671 16.2155 -42.0671 52.9364 -27.5942 16.2154 -27.5943 11.5395 GPRESSAVG: 4660800 -70.2607 -41.8445 16.8423 -43.5141 54.1083 -28.9389 13.9713 -26.6262 10.4053 TIMING: 4660800 CPU: 14784.6, 0.00313688/step Wall: 14784.6, 0.00313688/step, 0.295564 hours remaining, 240.753906 MB of memory in use. ENERGY: 4660800 4048.2050 20581.5237 14497.8300 243.1644 -203297.7005 2478.9522 0.0000 0.0000 52014.1381 -109433.8871 298.9260 -161448.0252 -109077.9554 300.1516 226.3570 254.3763 758849.1502 -1.9277 -1.9157 PRESSURE: 4661000 -162.778 -98.5683 50.268 -98.5687 98.7684 145.053 50.2682 145.053 169.113 GPRESSURE: 4661000 -114.501 7.91526 21.2411 -9.60753 149.545 71.8447 59.2419 161.671 143.992 PRESSAVG: 4661000 -27.2259 -17.0728 -13.3313 -17.0729 -14.6395 16.5346 -13.3313 16.5346 8.978 GPRESSAVG: 4661000 -27.4049 -18.2258 -12.0883 -15.9647 -15.5137 18.4959 -11.2593 15.0585 10.452 TIMING: 4661000 CPU: 14785.2, 0.00315155/step Wall: 14785.2, 0.00315155/step, 0.296771 hours remaining, 240.808594 MB of memory in use. ENERGY: 4661000 4009.8770 20658.0538 14476.4126 249.7155 -203155.5095 2300.2218 0.0000 0.0000 52084.0297 -109377.1991 299.3276 -161461.2288 -109011.2240 299.3836 35.0344 59.6788 760406.7216 -10.9625 -10.8222 PRESSURE: 4661200 41.4456 305.436 29.7792 305.435 -222.32 -69.6331 29.7784 -69.6336 262.43 GPRESSURE: 4661200 -13.7336 287.893 71.6183 207.287 -65.4092 -184.258 16.6913 62.7387 235.422 PRESSAVG: 4661200 -58.4421 25.9247 -8.01021 25.9247 62.0981 -47.8088 -8.01023 -47.8089 34.1671 GPRESSAVG: 4661200 -58.5364 25.0391 -7.79168 25.4496 62.998 -49.3794 -9.34472 -47.1001 33.7526 TIMING: 4661200 CPU: 14785.9, 0.00315065/step Wall: 14785.9, 0.00315065/step, 0.296511 hours remaining, 240.808594 MB of memory in use. ENERGY: 4661200 4033.6356 20657.3749 14476.4193 229.2375 -203515.8245 2589.0949 0.0000 0.0000 52157.4237 -109372.6387 299.7494 -161530.0624 -109012.7799 299.6913 27.1852 52.0932 760874.9489 12.6077 12.7381 PRESSURE: 4661400 -200.958 -97.1338 119.743 -97.1338 149.9 241.713 119.742 241.715 79.4122 GPRESSURE: 4661400 -101.191 -178.194 74.3579 -18.4059 125.296 284.827 150.456 170.375 89.2296 PRESSAVG: 4661400 -22.3615 -30.778 -40.5776 -30.778 30.2233 17.2143 -40.5775 17.2144 18.2647 GPRESSAVG: 4661400 -22.2423 -30.1796 -40.3775 -29.8069 30.6644 17.9438 -38.4733 18.7396 17.9506 TIMING: 4661400 CPU: 14786.5, 0.00313491/step Wall: 14786.5, 0.00313491/step, 0.294856 hours remaining, 240.808594 MB of memory in use. ENERGY: 4661400 4016.6092 20701.8506 14590.6914 234.6885 -203565.9788 2643.3897 0.0000 0.0000 51893.5562 -109485.1932 298.2330 -161378.7494 -109119.8175 299.9670 9.4516 37.7782 761363.3398 8.7088 8.7909 PRESSURE: 4661600 34.9604 111.398 229.131 111.398 -225.942 35.8734 229.131 35.8734 26.5311 GPRESSURE: 4661600 92.3284 108.053 189.267 176.718 -246.136 0.19396 188.227 -67.8896 58.9193 PRESSAVG: 4661600 -54.7017 -12.1749 13.1702 -12.1749 37.691 -35.6295 13.1702 -35.6295 15.7876 GPRESSAVG: 4661600 -53.6444 -12.8459 12.8011 -12.5745 36.694 -35.1673 11.7878 -33.1975 16.0031 TIMING: 4661600 CPU: 14787.1, 0.00313212/step Wall: 14787.1, 0.00313212/step, 0.294419 hours remaining, 240.808594 MB of memory in use. ENERGY: 4661600 4018.2960 20660.8645 14492.4391 237.0898 -203641.4945 2696.2736 0.0000 0.0000 52196.3111 -109340.2205 299.9729 -161536.5316 -108995.1917 299.6043 -54.8167 -31.6293 762487.8688 -0.4077 -0.3158 PRESSURE: 4661800 -60.6702 -11.0255 -105.848 -11.0265 -92.9348 2.51871 -105.848 2.51852 78.3986 GPRESSURE: 4661800 -34.0039 -105.359 -107.717 -71.0328 -15.9928 -63.649 -65.477 37.7276 68.2561 PRESSAVG: 4661800 -28.8877 31.7173 34.7329 31.7173 3.21007 -15.0674 34.7329 -15.0673 13.4903 GPRESSAVG: 4661800 -28.5163 30.2519 34.5417 32.0454 2.70747 -16.0263 36.2807 -16.7809 13.4774 TIMING: 4661800 CPU: 14787.7, 0.00314409/step Wall: 14787.7, 0.00314409/step, 0.29537 hours remaining, 240.808594 MB of memory in use. ENERGY: 4661800 3981.6951 20590.8429 14389.5703 242.5163 -203571.1705 2585.8242 0.0000 0.0000 52264.2973 -109516.4245 300.3636 -161780.7217 -109159.3469 300.3293 -25.0688 6.0865 761076.3027 -4.0624 -4.1105 PRESSURE: 4662000 184.852 -7.5322 -248.711 -7.53221 284.969 -213.027 -248.71 -213.026 -62.7228 GPRESSURE: 4662000 238.456 18.0318 -234.321 -6.62592 340.585 -251.595 -212.888 -256.322 -81.0345 PRESSAVG: 4662000 -54.759 -1.22362 -25.0737 -1.22363 59.3482 -15.1856 -25.0738 -15.1856 5.69594 GPRESSAVG: 4662000 -54.0008 1.19992 -25.2674 -1.96707 59.3752 -13.9974 -25.0951 -17.2987 4.97076 TIMING: 4662000 CPU: 14788.4, 0.00315522/step Wall: 14788.4, 0.00315522/step, 0.29624 hours remaining, 240.808594 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: 4662000 3975.3062 20551.3770 14472.8935 257.6440 -203804.8380 2740.2449 0.0000 0.0000 52182.9260 -109624.4465 299.8960 -161807.3724 -109272.2193 299.4392 135.6994 166.0020 760396.8961 3.4284 3.4484 PRESSURE: 4662200 -46.8884 95.0429 165.634 95.0434 319.117 24.5919 165.634 24.5905 -104.439 GPRESSURE: 4662200 -41.0038 59.6061 124.285 97.3295 366.299 11.8966 -6.78402 18.9832 -74.5971 PRESSAVG: 4662200 -19.9087 3.81864 -35.8141 3.81859 0.578164 48.7293 -35.8141 48.7294 10.3422 GPRESSAVG: 4662200 -20.3225 3.1282 -35.5656 2.94917 1.10543 48.3995 -35.4538 48.3911 10.4808 TIMING: 4662200 CPU: 14789, 0.00314197/step Wall: 14789, 0.00314197/step, 0.294821 hours remaining, 240.808594 MB of memory in use. ENERGY: 4662200 4029.9294 20602.3949 14485.2434 250.7519 -203422.2904 2449.8808 0.0000 0.0000 51919.2959 -109684.7942 298.3809 -161604.0901 -109313.3173 298.7511 55.9298 83.5659 758683.9898 -2.9961 -2.9121 PRESSURE: 4662400 -431.265 -40.4372 69.0683 -40.4374 -77.3816 161.879 69.0689 161.879 125.966 GPRESSURE: 4662400 -342.826 -33.6781 23.276 -54.4537 -165.975 167.803 53.1515 176.459 191.634 PRESSAVG: 4662400 -37.9128 14.8832 22.8753 14.8833 5.24733 19.4555 22.8752 19.4554 2.24178 GPRESSAVG: 4662400 -37.5377 15.3863 23.0313 16.6042 4.51562 20.6519 24.2573 18.8647 3.16515 TIMING: 4662400 CPU: 14789.6, 0.00312924/step Wall: 14789.6, 0.00312924/step, 0.293453 hours remaining, 240.808594 MB of memory in use. ENERGY: 4662400 3968.4088 20678.9044 14429.9041 245.1446 -203203.5298 2235.8985 0.0000 0.0000 52102.1964 -109543.0731 299.4320 -161645.2695 -109172.9932 299.3851 -127.5604 -105.7226 760885.3783 -10.1412 -9.9523 PRESSURE: 4662600 53.2366 -17.0396 -100.701 -17.0399 244.594 48.4628 -100.701 48.4639 128.848 GPRESSURE: 4662600 93.8468 -95.2429 -124.046 5.02831 272.469 149.521 -110.553 -100.053 147.868 PRESSAVG: 4662600 -48.3267 -26.4024 4.56469 -26.4024 38.0999 57.7948 4.56467 57.7948 -11.4119 GPRESSAVG: 4662600 -48.3057 -26.493 3.62505 -26.0878 37.9447 56.5325 2.84595 59.247 -11.4839 TIMING: 4662600 CPU: 14790.3, 0.00315013/step Wall: 14790.3, 0.00315013/step, 0.295237 hours remaining, 240.808594 MB of memory in use. ENERGY: 4662600 3950.5142 20419.0907 14462.5628 263.0486 -202871.1070 2273.1792 0.0000 0.0000 51929.2629 -109573.4485 298.4382 -161502.7114 -109205.7984 299.1088 142.2263 171.3944 760347.7401 -7.2129 -7.2816 PRESSURE: 4662800 -105.343 64.9944 145.93 64.9954 -167.029 88.9714 145.93 88.9726 -335.241 GPRESSURE: 4662800 -22.516 126.708 159.399 -70.9921 -158.838 67.0873 157.938 154.292 -328.632 PRESSAVG: 4662800 -23.23 14.248 13.6699 14.248 18.8607 49.06 13.67 49.0599 35.955 GPRESSAVG: 4662800 -24.0892 13.3854 13.6333 11.9152 19.6675 49.9056 15.813 48.9775 35.3235 TIMING: 4662800 CPU: 14790.9, 0.00317402/step Wall: 14790.9, 0.00317402/step, 0.2973 hours remaining, 240.808594 MB of memory in use. ENERGY: 4662800 4019.0906 20421.0600 14488.0329 242.7089 -203167.8160 2318.0372 0.0000 0.0000 52126.3711 -109552.5153 299.5710 -161678.8865 -109190.5322 299.2651 -202.5378 -169.9953 760177.3165 10.5286 10.3006 PRESSURE: 4663000 -34.1622 41.8838 47.2077 41.8837 -342.332 159.877 47.2074 159.877 -282.002 GPRESSURE: 4663000 36.2239 -24.0433 73.9364 -17.2451 -253.81 115.697 15.805 223.934 -349.657 PRESSAVG: 4663000 -48.1474 25.6554 48.3071 25.6555 17.3378 40.0487 48.307 40.0487 -2.95056 GPRESSAVG: 4663000 -48.2563 25.2943 49.7267 25.787 17.1167 40.4306 48.9038 40.2262 -2.74627 TIMING: 4663000 CPU: 14791.5, 0.0031508/step Wall: 14791.5, 0.0031508/step, 0.294949 hours remaining, 240.808594 MB of memory in use. ENERGY: 4663000 4057.2063 20494.0717 14427.8427 226.5813 -203228.0254 2498.6303 0.0000 0.0000 51971.4995 -109552.1935 298.6809 -161523.6930 -109192.2567 298.9874 -219.4987 -189.0809 761289.4840 -11.2534 -11.2953 PRESSURE: 4663200 189.717 92.0757 -94.0943 92.0759 -311.003 -97.0767 -94.0946 -97.0767 -327.899 GPRESSURE: 4663200 97.3044 -2.30646 -74.0624 -29.4152 -169.365 -166.271 -77.3203 -156.666 -328.945 PRESSAVG: 4663200 -11.5095 -44.1361 12.4106 -44.1362 -4.14422 26.8175 12.4106 26.8175 -19.6961 GPRESSAVG: 4663200 -11.5014 -43.4048 12.5283 -44.3357 -5.23018 25.4714 10.2765 26.9145 -19.0981 TIMING: 4663200 CPU: 14792.1, 0.00314594/step Wall: 14792.1, 0.00314594/step, 0.29432 hours remaining, 240.808594 MB of memory in use. ENERGY: 4663200 3979.6563 20552.6214 14516.2963 243.2824 -203205.1047 2379.8750 0.0000 0.0000 52189.5970 -109343.7763 299.9343 -161533.3733 -108980.8430 299.2440 -149.7280 -133.6683 762752.8600 -11.7833 -11.9432 PRESSURE: 4663400 -70.4566 -7.08216 106.434 -7.0817 134.817 24.8225 106.433 24.8214 28.8542 GPRESSURE: 4663400 -7.9731 -24.9439 17.8132 86.408 211.312 44.8711 173.359 -88.7547 -0.569791 PRESSAVG: 4663400 -7.02799 -31.4113 17.5753 -31.4113 -6.34921 -15.8539 17.5752 -15.8539 1.22654 GPRESSAVG: 4663400 -7.36074 -31.8193 16.5488 -31.2402 -5.26576 -14.2315 17.7481 -15.0641 0.791489 TIMING: 4663400 CPU: 14792.8, 0.00314733/step Wall: 14792.8, 0.00314733/step, 0.294275 hours remaining, 240.808594 MB of memory in use. ENERGY: 4663400 3885.4387 20492.8683 14561.0063 242.0455 -203186.6646 2428.1682 0.0000 0.0000 52057.3200 -109519.8177 299.1741 -161577.1377 -109148.6977 299.3006 31.0714 67.5895 760178.8145 -4.0502 -3.9450 PRESSURE: 4663600 87.297 -3.11014 50.3016 -3.11054 17.1181 72.2926 50.3011 72.293 -61.6664 GPRESSURE: 4663600 129.68 38.8247 -7.64126 -17.8071 57.2728 54.5306 56.3633 40.3679 -66.2547 PRESSAVG: 4663600 -50.1799 -46.2342 -1.25495 -46.2342 35.2519 16.2394 -1.25494 16.2395 -0.5066 GPRESSAVG: 4663600 -49.8765 -46.4268 -1.69818 -45.3412 35.4276 14.1264 -1.50652 13.2088 -0.771427 TIMING: 4663600 CPU: 14793.4, 0.00316143/step Wall: 14793.4, 0.00316143/step, 0.295418 hours remaining, 240.808594 MB of memory in use. ENERGY: 4663600 3899.1821 20450.6673 14536.3703 238.0425 -203207.3782 2300.5686 0.0000 0.0000 51969.0376 -109813.5099 298.6668 -161782.5475 -109456.5199 298.5710 14.2496 40.2329 760498.8752 -5.1448 -5.0735 PRESSURE: 4663800 148.862 -43.4458 -130.369 -43.4461 -68.0899 -7.29025 -130.369 -7.28996 -166.835 GPRESSURE: 4663800 218.08 -150.479 -157.322 25.1896 -103.001 26.6147 -57.4594 -19.45 -107.315 PRESSAVG: 4663800 32.0188 -85.7587 9.63007 -85.7586 -6.2972 -19.7316 9.63015 -19.7316 -20.0694 GPRESSAVG: 4663800 32.7049 -86.0859 10.6911 -85.4226 -6.87315 -17.638 10.5984 -18.0681 -20.5149 TIMING: 4663800 CPU: 14794, 0.00313982/step Wall: 14794, 0.00313982/step, 0.293224 hours remaining, 240.808594 MB of memory in use. ENERGY: 4663800 4016.9129 20484.8185 14451.2341 242.5981 -203455.3283 2295.6578 0.0000 0.0000 52216.2358 -109747.8710 300.0874 -161964.1069 -109386.4825 298.9823 -28.6875 2.5881 760312.9487 1.8841 1.7723 PRESSURE: 4664000 153.906 121.13 80.7908 121.13 203.035 -75.6222 80.7907 -75.6223 306.849 GPRESSURE: 4664000 250.256 5.39067 97.0236 -0.554936 210.49 -100.758 81.8612 -141.114 279.753 PRESSAVG: 4664000 -31.136 -31.064 -4.3161 -31.0641 27.5921 -35.5006 -4.31617 -35.5006 25.9318 GPRESSAVG: 4664000 -30.7911 -30.4274 -5.64095 -32.4874 27.3736 -36.6062 -3.87095 -35.3167 26.4292 TIMING: 4664000 CPU: 14794.7, 0.00314783/step Wall: 14794.7, 0.00314783/step, 0.293797 hours remaining, 240.808594 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: 4664000 3940.7702 20541.7216 14569.0336 255.2556 -203615.3452 2595.3781 0.0000 0.0000 51996.9183 -109716.2678 298.8270 -161713.1861 -109369.5885 299.7212 221.2631 246.8330 758332.5743 7.4626 7.6706 PRESSURE: 4664200 -210.34 -165.935 -13.9402 -165.935 -90.4668 15.2603 -13.9391 15.26 393.595 GPRESSURE: 4664200 -178.013 -26.0666 -29.6502 -173.858 -60.447 41.7363 -23.7447 29.0871 419.007 PRESSAVG: 4664200 -24.6837 -67.3925 -19.9328 -67.3925 18.9714 -48.4498 -19.9327 -48.4498 8.1994 GPRESSAVG: 4664200 -25.1369 -68.6978 -19.1222 -66.749 18.4235 -48.367 -20.512 -49.2434 8.7448 TIMING: 4664200 CPU: 14795.3, 0.00315676/step Wall: 14795.3, 0.00315676/step, 0.294455 hours remaining, 240.808594 MB of memory in use. ENERGY: 4664200 4002.5697 20581.0117 14528.5676 232.8080 -203851.2543 2739.5994 0.0000 0.0000 51956.2275 -109810.4703 298.5932 -161766.6978 -109454.3936 299.0253 30.9293 60.1822 758233.9154 0.8290 0.6772 LDB: ============= START OF LOAD BALANCING ============== 14807.7 LDB: ============== END OF LOAD BALANCING =============== 14807.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14807.8 LDB: ============= START OF LOAD BALANCING ============== 14808.1 LDB: Largest compute 7031 load 0.034876 is 17.8% of average load 0.195545 LDB: Average compute 0.004390 is 2.2% of average load 0.195545 LDB: TIME 14808.1 LOAD: AVG 0.195545 MAX 0.21739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 14808.1 LOAD: AVG 0.195545 MAX 0.21739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: TIME 14808.1 LOAD: AVG 0.195545 MAX 0.21739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: ============== END OF LOAD BALANCING =============== 14808.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14808.1 PRESSURE: 4664400 330.802 -363.412 107.816 -363.412 -25.5748 257.433 107.816 257.433 -116.634 GPRESSURE: 4664400 359.459 -365.246 119.927 -260.775 -51.9414 230.357 40.359 250.814 -34.3331 PRESSAVG: 4664400 29.5656 -22.194 -4.18917 -22.194 -55.7788 28.8974 -4.18921 28.8974 23.629 GPRESSAVG: 4664400 27.956 -21.2442 -3.73923 -21.751 -55.6035 28.9722 -6.74579 28.776 24.4097 TIMING: 4664400 CPU: 14795.9, 0.00322602/step Wall: 14795.9, 0.00322602/step, 0.300737 hours remaining, 239.968750 MB of memory in use. ENERGY: 4664400 3966.1580 20379.0726 14632.6551 240.8653 -203532.9125 2388.9278 0.0000 0.0000 52064.7801 -109860.4536 299.2170 -161925.2338 -109502.2389 298.9074 62.8642 91.0614 757724.4155 -0.8614 -1.0793 PRESSURE: 4664600 1.8006 108.647 -19.494 108.646 45.6287 59.2478 -19.4942 59.2476 -75.1934 GPRESSURE: 4664600 65.1462 100.492 -27.7277 137.978 80.0736 59.3413 -30.2732 80.3362 -95.2609 PRESSAVG: 4664600 23.0318 12.9195 7.82398 12.9195 -50.7858 45.3732 7.8239 45.3733 13.8028 GPRESSAVG: 4664600 24.0649 12.5122 7.98133 13.7963 -50.8738 43.9019 8.59459 45.3586 12.66 TIMING: 4664600 CPU: 14796.6, 0.00315679/step Wall: 14796.6, 0.00315679/step, 0.294108 hours remaining, 240.171875 MB of memory in use. ENERGY: 4664600 3983.8071 20272.3948 14588.0775 234.0360 -203757.7971 2364.2445 0.0000 0.0000 52386.2944 -109928.9428 301.0648 -162315.2372 -109574.8550 298.6374 -9.2547 16.6530 758810.2281 -4.6504 -4.7163 PRESSURE: 4664800 -439.106 92.7151 -123.089 92.715 -282.24 -179.837 -123.088 -179.837 24.242 GPRESSURE: 4664800 -407.13 74.0581 -128.13 168.897 -244.058 -136.791 -149.786 -154.592 25.48 PRESSAVG: 4664800 21.0665 4.82576 -1.51284 4.82571 -21.5899 19.878 -1.51283 19.878 18.0156 GPRESSAVG: 4664800 22.1237 3.8298 -0.420391 4.13155 -21.698 21.7987 -1.34634 18.9671 16.8823 TIMING: 4664800 CPU: 14797.2, 0.00314183/step Wall: 14797.2, 0.00314183/step, 0.292539 hours remaining, 240.171875 MB of memory in use. ENERGY: 4664800 4004.2596 20496.6596 14596.2385 239.8422 -203757.4519 2572.3566 0.0000 0.0000 51800.7711 -110047.3244 297.6997 -161848.0955 -109686.8029 298.5970 -232.3681 -208.5692 759447.3587 5.8307 5.7693 PRESSURE: 4665000 -186.815 129.125 -132.843 129.126 -239.483 81.6868 -132.843 81.6867 -305.78 GPRESSURE: 4665000 -202.76 144.813 -180.385 43.967 -260.394 49.9925 -69.0524 138.505 -213.334 PRESSAVG: 4665000 -11.4845 59.531 4.47082 59.5309 9.07203 19.9921 4.47082 19.9921 -14.0202 GPRESSAVG: 4665000 -12.1875 58.4081 3.33354 60.811 8.9222 16.143 4.27904 22.9637 -13.4085 TIMING: 4665000 CPU: 14797.8, 0.00313766/step Wall: 14797.8, 0.00313766/step, 0.291977 hours remaining, 240.171875 MB of memory in use. ENERGY: 4665000 4032.3916 20443.7431 14512.1042 239.6347 -203686.7508 2452.4169 0.0000 0.0000 51880.5286 -110125.9316 298.1581 -162006.4602 -109774.0187 298.6519 -244.0263 -225.4960 760665.6019 -5.4776 -5.5579 PRESSURE: 4665200 -385.799 300.854 -38.511 300.854 106.813 113.111 -38.5098 113.11 -62.9911 GPRESSURE: 4665200 -366.099 151.222 -32.6215 164.158 159.509 83.889 -43.274 52.6575 -62.3751 PRESSAVG: 4665200 37.1385 18.8752 -12.1899 18.8752 -15.9841 28.8244 -12.19 28.8244 8.99218 GPRESSAVG: 4665200 35.5246 18.9142 -13.5634 17.8624 -14.322 30.4685 -9.58389 27.8584 8.9746 TIMING: 4665200 CPU: 14798.5, 0.0031436/step Wall: 14798.5, 0.0031436/step, 0.292355 hours remaining, 240.171875 MB of memory in use. ENERGY: 4665200 3980.6615 20470.5195 14440.8121 224.9440 -203484.2748 2327.7896 0.0000 0.0000 52088.2765 -109951.2716 299.3520 -162039.5481 -109594.7353 298.2560 -113.9923 -89.6549 759767.1903 10.0489 10.0591 PRESSURE: 4665400 376.993 -175.066 127.159 -175.066 -106.802 -133.528 127.161 -133.528 7.82834 GPRESSURE: 4665400 381.614 -188.409 171.94 -89.0431 -49.9705 -187.566 5.55425 -231.915 39.4478 PRESSAVG: 4665400 -5.77995 -55.0766 77.2527 -55.0765 -35.2671 30.7689 77.2528 30.7689 -9.52562 GPRESSAVG: 4665400 -5.03641 -55.3306 79.2773 -54.1477 -36.5196 30.7972 74.8113 28.4669 -9.06821 TIMING: 4665400 CPU: 14799.1, 0.00314205/step Wall: 14799.1, 0.00314205/step, 0.292036 hours remaining, 240.171875 MB of memory in use. ENERGY: 4665400 3938.1823 20494.1269 14485.0456 246.7524 -203685.5026 2625.8436 0.0000 0.0000 52161.2182 -109734.3336 299.7712 -161895.5518 -109373.2918 298.6729 92.6733 123.6971 760302.7217 -16.8576 -16.8748 PRESSURE: 4665600 -294.401 3.32517 158.888 3.32542 -235.072 248.315 158.887 248.316 197.892 GPRESSURE: 4665600 -208.595 -62.4134 147.561 43.6378 -260.262 245.978 155.976 342.936 227.641 PRESSAVG: 4665600 -1.30692 -4.33846 -5.62563 -4.33843 8.57087 49.3008 -5.6256 49.3008 -19.5112 GPRESSAVG: 4665600 -1.04858 -3.99827 -7.12272 -4.37518 8.43793 49.3463 -4.05653 50.5555 -19.6792 TIMING: 4665600 CPU: 14799.7, 0.00312997/step Wall: 14799.7, 0.00312997/step, 0.29074 hours remaining, 240.171875 MB of memory in use. ENERGY: 4665600 3987.7430 20507.4197 14577.9923 248.2441 -204192.3776 2901.8103 0.0000 0.0000 52091.8072 -109877.3610 299.3723 -161969.1682 -109526.5523 299.3029 -110.5270 -80.4054 761948.7728 -4.0824 -4.0966 PRESSURE: 4665800 -16.1587 -205.91 43.3451 -205.91 -220.229 -61.9022 43.3449 -61.9021 162.479 GPRESSURE: 4665800 16.7872 -172.636 -36.3802 -322.679 -93.911 -102.986 44.337 -11.0686 101.574 PRESSAVG: 4665800 -49.3636 -21.7972 -14.3601 -21.7972 39.3391 -0.636018 -14.36 -0.635971 0.442098 GPRESSAVG: 4665800 -48.609 -18.7993 -13.871 -23.4776 38.7127 0.345656 -13.3958 -0.427887 0.0554804 TIMING: 4665800 CPU: 14800.3, 0.00316048/step Wall: 14800.3, 0.00316048/step, 0.293398 hours remaining, 240.171875 MB of memory in use. ENERGY: 4665800 3900.6413 20454.2579 14591.8208 254.6500 -203570.4535 2625.9869 0.0000 0.0000 52254.2725 -109488.8241 300.3060 -161743.0966 -109134.5144 299.3479 -24.6363 8.1501 761808.8203 -3.1941 -3.2803 PRESSURE: 4666000 136.459 95.8794 96.8438 95.8792 -90.0569 71.0507 96.8446 71.0511 200.503 GPRESSURE: 4666000 82.4062 22.3362 114.038 -7.48314 -1.07942 -28.0626 40.0331 36.7478 248.72 PRESSAVG: 4666000 -38.4797 -6.81635 8.47414 -6.81636 84.8259 -58.6426 8.47414 -58.6427 11.248 GPRESSAVG: 4666000 -38.4661 -8.0097 9.73477 -5.66028 84.8047 -59.4866 6.01962 -57.681 10.6239 TIMING: 4666000 CPU: 14801, 0.00314271/step Wall: 14801, 0.00314271/step, 0.291573 hours remaining, 240.171875 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: 4666000 3911.9164 20466.8751 14504.6002 231.9324 -203334.8927 2635.4901 0.0000 0.0000 52095.7671 -109488.3114 299.3951 -161584.0785 -109130.0996 299.1816 82.3016 110.0155 761105.9500 19.1980 18.9875 PRESSURE: 4666200 306.211 99.227 -7.66604 99.2271 221.843 -297.179 -7.66638 -297.179 236.482 GPRESSURE: 4666200 290.287 114.733 80.1658 24.2828 275.364 -339.653 161.765 -284.528 279.226 PRESSAVG: 4666200 6.84701 17.2724 15.6169 17.2724 -22.9479 -48.9562 15.617 -48.9561 33.2152 GPRESSAVG: 4666200 5.99621 17.4787 15.096 16.5724 -21.7924 -48.3084 14.4995 -50.9408 33.2355 TIMING: 4666200 CPU: 14801.6, 0.00314313/step Wall: 14801.6, 0.00314313/step, 0.291438 hours remaining, 240.171875 MB of memory in use. ENERGY: 4666200 3990.4178 20442.6918 14580.8182 249.6846 -204167.5771 3059.0732 0.0000 0.0000 52127.3731 -109717.5185 299.5767 -161844.8916 -109351.1869 298.8903 254.8450 281.6256 760212.9319 5.7048 5.8131 PRESSURE: 4666400 -503.455 7.80995 -10.5414 7.80985 -162.206 -20.5645 -10.5419 -20.5644 -113.972 GPRESSURE: 4666400 -382.111 -116.009 5.198 -40.5789 -204.693 6.50994 20.7113 -145.93 -118.997 PRESSAVG: 4666400 -33.9482 67.0802 36.1234 67.0802 -28.8817 -49.7033 36.1234 -49.7033 -11.2095 GPRESSAVG: 4666400 -33.2759 67.0542 37.1678 68.3405 -29.6233 -50.0707 40.4486 -47.4276 -11.0643 TIMING: 4666400 CPU: 14802.2, 0.00313096/step Wall: 14802.2, 0.00313096/step, 0.290136 hours remaining, 240.171875 MB of memory in use. ENERGY: 4666400 4002.9545 20576.2109 14517.4086 249.7778 -203900.3847 2704.3400 0.0000 0.0000 52005.6760 -109844.0167 298.8773 -161849.6928 -109483.7454 299.0051 -259.8776 -235.2669 761507.0965 -24.6798 -24.6545 PRESSURE: 4666600 -18.7331 23.8589 -106.42 23.859 91.4188 -8.44721 -106.421 -8.44694 221.342 GPRESSURE: 4666600 12.4882 -36.2578 -100.075 -13.6071 147.115 -40.4845 -140.759 -28.7874 240.158 PRESSAVG: 4666600 -3.78316 -15.2842 -17.8163 -15.2842 -6.98293 -26.0524 -17.8163 -26.0524 9.34116 GPRESSAVG: 4666600 -4.31214 -15.7387 -18.7229 -15.2755 -6.27089 -27.6553 -19.8822 -24.5638 8.8885 TIMING: 4666600 CPU: 14802.9, 0.00314378/step Wall: 14802.9, 0.00314378/step, 0.291149 hours remaining, 240.171875 MB of memory in use. ENERGY: 4666600 3986.7189 20408.4072 14475.9367 250.3033 -203641.7080 2666.6761 0.0000 0.0000 51869.4774 -109984.1884 298.0946 -161853.6658 -109618.1456 298.8373 98.0092 133.2540 760676.0757 -0.4750 -0.5648 PRESSURE: 4666800 -245.027 233.016 129.08 233.016 -9.23396 -108.369 129.079 -108.369 -459.52 GPRESSURE: 4666800 -227.009 170.486 163.815 260.027 -41.1272 -10.5199 171.911 -201.592 -355.579 PRESSAVG: 4666800 -10.9309 -36.1553 -3.02194 -36.1553 36.618 85.7027 -3.02195 85.7027 14.2397 GPRESSAVG: 4666800 -10.5717 -37.3363 -4.07104 -35.4997 36.53 87.1468 -3.3996 81.6947 14.074 TIMING: 4666800 CPU: 14803.5, 0.00316252/step Wall: 14803.5, 0.00316252/step, 0.292708 hours remaining, 240.171875 MB of memory in use. ENERGY: 4666800 4011.1419 20527.6880 14488.1474 245.9338 -203179.1731 2344.4212 0.0000 0.0000 51651.1935 -109910.6473 296.8401 -161561.8407 -109556.9309 298.4669 -237.9272 -207.9053 760867.1131 13.3089 13.3441 PRESSURE: 4667000 -164.741 -3.14042 110.46 -3.14003 -357.628 49.7993 110.46 49.7987 -465.759 GPRESSURE: 4667000 -121.447 -118.178 83.8499 -2.12511 -405.293 -78.8696 104.896 67.9221 -375.777 PRESSAVG: 4667000 -30.5435 -9.69008 47.7395 -9.68997 -32.1579 0.851969 47.7395 0.852027 2.30057 GPRESSAVG: 4667000 -30.0626 -10.4947 47.9999 -9.59297 -33.0706 0.0899467 49.2991 1.98506 2.76563 TIMING: 4667000 CPU: 14804.1, 0.00315813/step Wall: 14804.1, 0.00315813/step, 0.292127 hours remaining, 240.171875 MB of memory in use. ENERGY: 4667000 4024.1267 20414.0825 14431.4203 235.0550 -203529.6707 2473.3368 0.0000 0.0000 52247.9282 -109703.7212 300.2696 -161951.6494 -109335.7419 298.6857 -329.3760 -300.8390 762282.7315 -20.1336 -20.1225 PRESSURE: 4667200 95.7904 -205.69 -151.605 -205.691 121.671 112.301 -151.605 112.299 165.491 GPRESSURE: 4667200 82.1548 -248.376 -174.05 -245.315 262.61 106.656 -195.107 85.7056 110.395 PRESSAVG: 4667200 -6.63727 10.8187 28.4482 10.8187 17.6287 15.3912 28.4482 15.3912 -23.5377 GPRESSAVG: 4667200 -6.80344 12.8055 28.4619 10.5234 18.7359 15.6608 25.8022 18.6751 -24.1952 TIMING: 4667200 CPU: 14804.8, 0.00316885/step Wall: 14804.8, 0.00316885/step, 0.292943 hours remaining, 240.171875 MB of memory in use. ENERGY: 4667200 3940.1798 20511.5685 14501.9453 245.3726 -203335.0580 2510.9233 0.0000 0.0000 52036.1764 -109588.8921 299.0526 -161625.0685 -109230.1214 299.0048 127.6506 151.7199 759952.3122 -4.1821 -4.0876 PRESSURE: 4667400 24.7506 32.4174 201.65 32.4175 -96.4943 12.1541 201.649 12.1537 207.918 GPRESSURE: 4667400 18.9293 1.88984 182.326 20.3725 -83.4296 -36.489 190.154 10.4214 270.524 PRESSAVG: 4667400 -18.5488 11.261 1.27421 11.2609 -8.06218 0.237231 1.27417 0.237308 25.3347 GPRESSAVG: 4667400 -19.3948 11.5225 1.28629 9.60652 -8.96022 1.87088 3.08487 -2.2822 27.1047 TIMING: 4667400 CPU: 14805.4, 0.00315487/step Wall: 14805.4, 0.00315487/step, 0.291475 hours remaining, 240.171875 MB of memory in use. ENERGY: 4667400 4003.4897 20487.5000 14502.6625 247.4642 -203401.8900 2517.9762 0.0000 0.0000 52116.5327 -109526.2646 299.5144 -161642.7973 -109162.3634 299.1891 45.3916 68.6747 761593.3829 -0.4254 -0.4168 PRESSURE: 4667600 95.0664 -123.084 63.2122 -123.083 5.63039 137.119 63.2114 137.119 314.32 GPRESSURE: 4667600 142.363 -12.9894 45.5073 -58.4838 40.0012 162.458 90.4879 66.3655 315.757 PRESSAVG: 4667600 -7.85632 -33.1713 -0.969897 -33.1714 46.6516 -16.9132 -0.969942 -16.9131 -7.89783 GPRESSAVG: 4667600 -7.78442 -32.8633 -2.13763 -31.7393 47.4827 -18.9622 -1.37453 -15.5449 -8.5884 TIMING: 4667600 CPU: 14806, 0.00313349/step Wall: 14806, 0.00313349/step, 0.289325 hours remaining, 240.171875 MB of memory in use. ENERGY: 4667600 4046.2558 20504.0187 14467.5496 245.9483 -203359.3987 2756.9205 0.0000 0.0000 51815.2068 -109523.4990 297.7827 -161338.7058 -109158.6137 299.3633 138.3389 166.0402 762749.4368 10.2992 10.3700 PRESSURE: 4667800 -116.906 95.9454 -10.6579 95.9441 161.523 155.431 -10.6577 155.43 346.829 GPRESSURE: 4667800 -123.448 17.1107 39.458 -9.91386 268.701 127.887 65.4205 108.053 339.311 PRESSAVG: 4667800 -17.719 -7.09836 27.2578 -7.09835 16.4828 16.5845 27.2577 16.5844 -22.8679 GPRESSAVG: 4667800 -16.8984 -6.69374 28.8509 -7.73183 16.2208 16.6528 28.0515 14.093 -23.8514 TIMING: 4667800 CPU: 14806.6, 0.00313175/step Wall: 14806.6, 0.00313175/step, 0.288991 hours remaining, 240.171875 MB of memory in use. ENERGY: 4667800 3944.7291 20372.6231 14595.0581 246.8424 -203391.1837 2541.2434 0.0000 0.0000 52006.3786 -109684.3090 298.8814 -161690.6876 -109326.9478 299.1781 130.4822 161.5213 759758.0980 -8.0347 -8.1763 PRESSURE: 4668000 120.53 -26.8209 -239.996 -26.8198 44.4457 -67.5251 -239.996 -67.526 -12.659 GPRESSURE: 4668000 155.27 79.5745 -182.433 -31.608 120.473 -23.7289 -289.549 47.3032 -22.115 PRESSAVG: 4668000 -70.6654 26.0155 10.3277 26.0155 62.3855 45.8204 10.3277 45.8205 -3.45765 GPRESSAVG: 4668000 -70.5559 24.6612 8.92519 25.3593 61.998 46.5057 10.0155 47.0318 -3.28512 TIMING: 4668000 CPU: 14807.3, 0.00314038/step Wall: 14807.3, 0.00314038/step, 0.289613 hours remaining, 240.171875 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: 4668000 3988.9279 20308.9891 14573.9671 249.7110 -203631.5796 2751.4711 0.0000 0.0000 52012.4361 -109746.0773 298.9162 -161758.5134 -109380.9509 298.7445 50.7721 84.5427 759572.1066 -3.9125 -3.9477 PRESSURE: 4668200 261.312 -169.116 124.788 -169.117 259.472 -140.073 124.789 -140.072 -61.2545 GPRESSURE: 4668200 280.525 -70.1566 136.404 -165.447 289.949 -172.333 123.858 -113.605 -17.4053 PRESSAVG: 4668200 -14.6456 -12.4186 -62.0054 -12.4186 27.7281 -9.98878 -62.0053 -9.98869 -6.5483 GPRESSAVG: 4668200 -14.5701 -10.6191 -60.9058 -11.4854 27.0452 -11.0833 -62.7669 -7.5164 -6.20993 TIMING: 4668200 CPU: 14807.9, 0.00317161/step Wall: 14807.9, 0.00317161/step, 0.292317 hours remaining, 240.171875 MB of memory in use. ENERGY: 4668200 4014.3114 20611.4110 14445.0100 231.5912 -203399.5135 2641.1710 0.0000 0.0000 51996.7919 -109459.2271 298.8263 -161456.0189 -109103.9588 298.7297 153.1765 184.3559 761700.6817 2.1781 2.0884 LDB: ============= START OF LOAD BALANCING ============== 14820.4 LDB: ============== END OF LOAD BALANCING =============== 14820.4 LDB: =============== DONE WITH MIGRATION ================ 14820.4 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14820.7 LDB: Largest compute 7038 load 0.033964 is 17.4% of average load 0.195476 LDB: Average compute 0.004377 is 2.2% of average load 0.195476 LDB: TIME 14820.7 LOAD: AVG 0.195476 MAX 0.214883 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 14820.7 LOAD: AVG 0.195476 MAX 0.214883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.176 MB LDB: TIME 14820.7 LOAD: AVG 0.195476 MAX 0.214883 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.176 MB LDB: ============== END OF LOAD BALANCING =============== 14820.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14820.7 PRESSURE: 4668400 -268.529 98.9975 -116.651 98.9977 -155.597 -4.20007 -116.65 -4.20046 10.0613 GPRESSURE: 4668400 -231.573 91.9143 -126.798 100.065 -46.243 -26.6755 -115.206 38.3185 -51.5676 PRESSAVG: 4668400 4.4556 -45.3573 16.5507 -45.3573 -22.3701 -3.96857 16.5507 -3.96855 -16.8359 GPRESSAVG: 4668400 3.89967 -47.7269 16.7005 -44.2679 -21.4602 -3.81364 16.4827 -4.6762 -16.9457 TIMING: 4668400 CPU: 14808.5, 0.00321292/step Wall: 14808.5, 0.00321292/step, 0.295946 hours remaining, 239.457031 MB of memory in use. ENERGY: 4668400 4033.8727 20520.3628 14514.9475 223.2722 -203271.0052 2373.5675 0.0000 0.0000 52115.5999 -109489.3827 299.5091 -161604.9826 -109127.1281 299.4987 -138.0216 -109.7944 762149.4298 -11.5835 -11.5021 PRESSURE: 4668600 -232 -15.6199 -120.488 -15.62 -312.946 181.753 -120.488 181.752 -876.16 GPRESSURE: 4668600 -196.765 48.7007 -226.695 -5.88589 -350.947 139.525 -135.23 94.24 -776.021 PRESSAVG: 4668600 -21.1441 -7.50989 -11.3692 -7.50988 39.8213 3.86553 -11.3692 3.86554 -11.5128 GPRESSAVG: 4668600 -20.5516 -5.95968 -10.4983 -10.8497 38.9734 4.92057 -11.2938 2.11208 -10.7956 TIMING: 4668600 CPU: 14809.2, 0.00313999/step Wall: 14809.2, 0.00313999/step, 0.289053 hours remaining, 239.457031 MB of memory in use. ENERGY: 4668600 4032.9168 20432.3604 14488.3450 265.3533 -203205.9671 2320.0235 0.0000 0.0000 52096.9226 -109570.0455 299.4017 -161666.9680 -109208.4830 299.3855 -473.7022 -441.2444 762730.0186 2.3881 2.5421 PRESSURE: 4668800 -545.232 86.6377 258.457 86.6375 -606.911 10.71 258.457 10.7108 -282.135 GPRESSURE: 4668800 -464.335 199.904 268.738 75.8937 -586.289 -25.4136 170.7 27.8796 -297.495 PRESSAVG: 4668800 27.0754 -24.9349 2.41649 -24.935 -8.23457 69.2615 2.4165 69.2615 24.1214 GPRESSAVG: 4668800 27.1338 -26.4924 1.8086 -24.1322 -7.5958 67.7933 3.29935 69.8578 22.8697 TIMING: 4668800 CPU: 14809.8, 0.00316107/step Wall: 14809.8, 0.00316107/step, 0.290819 hours remaining, 239.457031 MB of memory in use. ENERGY: 4668800 4053.6306 20525.3608 14472.2157 248.5772 -202901.5198 2083.1639 0.0000 0.0000 52037.5067 -109481.0649 299.0603 -161518.5715 -109116.7877 299.1208 -478.0927 -449.3729 761655.6473 14.3207 14.1359 PRESSURE: 4669000 270.44 73.4914 271.09 73.4916 28.666 -26.3171 271.091 -26.3168 -266.998 GPRESSURE: 4669000 270.318 95.0177 230.492 111.38 57.2841 -57.2397 240.644 10.671 -206.556 PRESSAVG: 4669000 -23.2422 54.2804 15.8662 54.2804 -20.8997 75.0713 15.8661 75.0712 -9.38844 GPRESSAVG: 4669000 -25.3789 54.1797 14.8656 54.4921 -21.2805 75.8579 14.5811 75.5598 -7.20022 TIMING: 4669000 CPU: 14810.4, 0.00315746/step Wall: 14810.4, 0.00315746/step, 0.290311 hours remaining, 239.457031 MB of memory in use. ENERGY: 4669000 3979.2873 20645.8383 14550.9429 249.4516 -203260.2939 2526.2783 0.0000 0.0000 52083.0054 -109225.4902 299.3217 -161308.4955 -108872.0451 299.1432 10.7026 40.3486 763388.8045 -17.8434 -17.9532 PRESSURE: 4669200 -352.176 26.3238 175.969 26.3239 -0.0863157 132.853 175.971 132.854 -393.745 GPRESSURE: 4669200 -243.962 -2.27408 183.878 49.2876 -9.12883 83.2784 291.136 142.948 -408.785 PRESSAVG: 4669200 -25.2034 -23.1617 56.151 -23.1617 37.1535 -40.6294 56.151 -40.6294 -8.42779 GPRESSAVG: 4669200 -22.9466 -21.8537 56.1788 -22.6835 37.4398 -41.5979 56.7985 -41.8407 -10.4949 TIMING: 4669200 CPU: 14811.1, 0.00317682/step Wall: 14811.1, 0.00317682/step, 0.291914 hours remaining, 239.457031 MB of memory in use. ENERGY: 4669200 4030.6603 20432.0177 14533.9010 250.2782 -202985.6159 2215.6582 0.0000 0.0000 52059.2312 -109463.8695 299.1851 -161523.1006 -109098.1983 299.6407 -248.6693 -220.6252 761182.0261 1.1741 1.3328 PRESSURE: 4669400 182.249 -36.1002 13.0852 -36.1007 211.444 -208.569 13.0861 -208.569 46.7858 GPRESSURE: 4669400 230.433 44.4382 -113.208 -62.4465 186.785 -203.735 145.214 -61.528 91.5672 PRESSAVG: 4669400 6.85407 -40.4386 7.32248 -40.4386 6.7288 -4.3289 7.32246 -4.32883 11.4879 GPRESSAVG: 4669400 6.45608 -38.3145 7.3549 -41.6662 6.84208 -3.03792 8.82164 -2.09727 12.0394 TIMING: 4669400 CPU: 14811.7, 0.00315301/step Wall: 14811.7, 0.00315301/step, 0.289551 hours remaining, 239.457031 MB of memory in use. ENERGY: 4669400 4040.5497 20697.3688 14469.6458 241.8819 -203672.2917 2786.0084 0.0000 0.0000 51970.7767 -109466.0604 298.6768 -161436.8371 -109116.1175 299.0254 146.8264 169.5951 760338.0747 8.3569 8.4459 PRESSURE: 4669600 247.616 26.3896 40.0586 26.3889 -86.5313 149.602 40.0585 149.601 -217.084 GPRESSURE: 4669600 192.574 -62.4801 -32.8355 -82.1904 -79.9013 65.586 220.183 173.984 -95.5016 PRESSAVG: 4669600 -16.289 -31.7742 8.19388 -31.7742 15.2737 -37.8746 8.1939 -37.8745 -26.6332 GPRESSAVG: 4669600 -16.6269 -36.7911 8.873 -31.5177 14.678 -37.9769 6.89133 -38.7312 -25.1486 TIMING: 4669600 CPU: 14812.3, 0.003159/step Wall: 14812.3, 0.003159/step, 0.289926 hours remaining, 239.457031 MB of memory in use. ENERGY: 4669600 3966.2865 20515.7472 14527.2025 245.3496 -203112.1565 2326.0601 0.0000 0.0000 52193.4341 -109338.0766 299.9564 -161531.5107 -108964.9366 299.1523 -18.6663 5.7237 760696.2586 -9.2162 -9.0325 PRESSURE: 4669800 -116.863 -291.583 176.482 -291.582 -13.889 -159.941 176.483 -159.941 268.228 GPRESSURE: 4669800 -62.2934 -322.654 147.714 -234.539 -0.160559 -192.033 103.811 -210.14 275.129 PRESSAVG: 4669800 -9.79602 -14.3865 -20.2991 -14.3866 -20.7389 -18.3829 -20.299 -18.383 16.3934 GPRESSAVG: 4669800 -10.3682 -13.2267 -20.7788 -14.0472 -19.8744 -18.5784 -19.3665 -19.5789 15.7688 TIMING: 4669800 CPU: 14813, 0.00315248/step Wall: 14813, 0.00315248/step, 0.289153 hours remaining, 239.457031 MB of memory in use. ENERGY: 4669800 3976.1550 20499.8504 14565.6118 256.5414 -202935.6642 2494.4274 0.0000 0.0000 51997.3989 -109145.6794 298.8298 -161143.0783 -108781.0537 299.0190 45.8253 70.8916 763197.1781 -4.7138 -4.8246 PRESSURE: 4670000 -45.8836 117.713 5.67671 117.713 356.963 11.4391 5.67703 11.4403 47.755 GPRESSURE: 4670000 52.353 75.7802 -61.6404 38.8724 450.894 154.405 7.06288 -26.8233 -35.9423 PRESSAVG: 4670000 9.21243 -26.692 -8.9045 -26.692 27.9548 -3.11413 -8.9045 -3.11417 -7.8716 GPRESSAVG: 4670000 10.9108 -24.8472 -11.044 -24.73 27.6649 -2.84119 -7.8507 -2.30485 -9.12788 TIMING: 4670000 CPU: 14813.6, 0.00314615/step Wall: 14813.6, 0.00314615/step, 0.288397 hours remaining, 239.457031 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: 4670000 3968.3131 20571.1874 14556.3137 238.8671 -203233.5135 2687.6279 0.0000 0.0000 52102.6501 -109108.5542 299.4346 -161211.2043 -108754.1621 299.6348 119.6116 155.7683 761903.0479 9.7652 9.8159 PRESSURE: 4670200 137.839 -90.0457 -19.1456 -90.0458 97.3171 -31.2932 -19.1454 -31.2938 -99.8577 GPRESSURE: 4670200 168.969 -40.8368 76.8936 -71.7241 102.812 -53.8516 59.5178 5.16625 -75.998 PRESSAVG: 4670200 -30.2673 -2.37068 -15.3696 -2.37068 23.1077 -1.69689 -15.3696 -1.69683 11.664 GPRESSAVG: 4670200 -31.2876 -2.51913 -12.5488 -5.57408 22.9747 -1.51896 -18.3606 -0.538397 12.8065 TIMING: 4670200 CPU: 14814.2, 0.00315797/step Wall: 14814.2, 0.00315797/step, 0.289305 hours remaining, 239.457031 MB of memory in use. ENERGY: 4670200 4031.3528 20630.2710 14455.1168 246.9162 -203122.3126 2376.7356 0.0000 0.0000 52159.6651 -109222.2551 299.7623 -161381.9202 -108862.2395 299.4572 45.0994 65.2611 762171.0711 1.5015 1.4979 PRESSURE: 4670400 -329.305 -116.222 24.0583 -116.223 -338.456 154.504 24.058 154.503 187.015 GPRESSURE: 4670400 -237.726 -34.718 51.8505 -204.746 -284.849 219.723 -22.9019 171.958 127.272 PRESSAVG: 4670400 -10.6956 -9.49602 -33.8123 -9.49601 24.9933 5.27559 -33.8124 5.27551 -12.8254 GPRESSAVG: 4670400 -10.3398 -7.56627 -34.0723 -9.68375 24.5899 5.945 -35.3246 5.95182 -12.9292 TIMING: 4670400 CPU: 14814.9, 0.00316894/step Wall: 14814.9, 0.00316894/step, 0.290134 hours remaining, 239.457031 MB of memory in use. ENERGY: 4670400 4035.7123 20314.8537 14498.6841 256.6042 -203083.5635 2209.2567 0.0000 0.0000 52443.6789 -109324.7737 301.3945 -161768.4525 -108958.2757 299.5558 -160.2484 -131.7677 761115.9653 0.4908 0.4403 PRESSURE: 4670600 316.074 260.201 72.5881 260.201 -10.1066 132.489 72.5881 132.489 -118.211 GPRESSURE: 4670600 303.484 301.02 48.9752 249.25 75.7408 106.591 18.7975 174.795 -115.352 PRESSAVG: 4670600 13.1038 16.6812 31.5734 16.6812 -53.2572 -11.9289 31.5733 -11.9289 -26.0378 GPRESSAVG: 4670600 12.0064 14.2801 30.9956 17.4079 -51.7078 -11.6933 33.9418 -13.323 -26.6688 TIMING: 4670600 CPU: 14815.5, 0.00314689/step Wall: 14815.5, 0.00314689/step, 0.28794 hours remaining, 239.457031 MB of memory in use. ENERGY: 4670600 4038.2655 20445.4522 14442.0570 270.4413 -203466.8412 2780.1217 0.0000 0.0000 52093.6884 -109396.8150 299.3831 -161490.5034 -109027.0694 299.3702 62.5853 87.9575 760546.5027 -22.0637 -22.1234 PRESSURE: 4670800 16.1551 -67.6644 90.3628 -67.6639 169.595 -18.7074 90.3629 -18.7082 -240.559 GPRESSURE: 4670800 69.6126 5.84144 61.6093 -13.3519 52.6224 -18.1996 57.3038 -35.7325 -86.1302 PRESSAVG: 4670800 -24.5917 -12.9077 8.21961 -12.9077 15.3645 -60.9023 8.2196 -60.9023 -6.14848 GPRESSAVG: 4670800 -23.8158 -12.8926 8.58819 -10.397 14.3934 -60.1834 9.50447 -63.5602 -6.11254 TIMING: 4670800 CPU: 14816.1, 0.00313647/step Wall: 14816.1, 0.00313647/step, 0.286813 hours remaining, 239.457031 MB of memory in use. ENERGY: 4670800 4027.9488 20504.3260 14423.1423 235.0748 -203192.8201 2442.9996 0.0000 0.0000 52000.2537 -109559.0749 298.8462 -161559.3286 -109196.4826 298.8866 -18.2695 12.0350 760791.2145 -5.1252 -5.1783 PRESSURE: 4671000 175.44 25.3972 74.472 25.3965 103.059 -4.23503 74.4727 -4.2356 721.092 GPRESSURE: 4671000 150.937 -82.6762 24.5879 24.3889 167.552 32.8613 11.3984 25.5539 762.481 PRESSAVG: 4671000 -20.1286 9.43114 -8.71492 9.4311 55.7388 -43.2182 -8.71483 -43.2182 2.52557 GPRESSAVG: 4671000 -19.7859 9.28448 -8.89192 6.83911 55.1675 -43.6169 -11.7637 -43.3418 2.97252 TIMING: 4671000 CPU: 14816.7, 0.00313724/step Wall: 14816.7, 0.00313724/step, 0.286709 hours remaining, 239.457031 MB of memory in use. ENERGY: 4671000 4009.3027 20567.2643 14538.1268 237.0859 -203196.9724 2782.7662 0.0000 0.0000 51765.3216 -109297.1049 297.4960 -161062.4265 -108946.8278 298.7682 333.1970 360.3234 760997.9178 12.7119 12.7847 PRESSURE: 4671200 -42.5111 -32.5392 -113.225 -32.5386 -9.33671 41.3408 -113.226 41.3411 -97.2029 GPRESSURE: 4671200 10.1129 60.2239 37.0462 -7.29348 -27.9061 -44.0098 11.1447 64.811 -32.7372 PRESSAVG: 4671200 -42.6664 -1.25027 -35.674 -1.25022 9.07363 21.1151 -35.674 21.1151 1.13572 GPRESSAVG: 4671200 -42.5385 0.876417 -34.0644 -2.97951 8.31383 20.4519 -34.9706 22.8424 2.32871 TIMING: 4671200 CPU: 14817.4, 0.00314348/step Wall: 14817.4, 0.00314348/step, 0.287104 hours remaining, 239.457031 MB of memory in use. ENERGY: 4671200 4048.2859 20530.4625 14522.5233 242.1717 -203263.2077 2563.6419 0.0000 0.0000 52071.2260 -109284.8964 299.2541 -161356.1224 -108918.5399 299.2370 -49.6836 -16.8435 761475.9681 -10.8190 -10.6320 PRESSURE: 4671400 107.374 112.795 158.993 112.795 53.5778 -0.38133 158.993 -0.382244 295.632 GPRESSURE: 4671400 66.0971 79.1238 57.925 5.96185 165.746 -46.5579 107.496 -35.1733 329.865 PRESSAVG: 4671400 -8.60627 -1.67247 -30.0498 -1.67243 -3.74473 -8.91529 -30.0499 -8.91528 0.296336 GPRESSAVG: 4671400 -9.91257 -3.06549 -30.8396 0.235633 -1.23501 -10.3829 -29.0257 -7.36613 -0.730301 TIMING: 4671400 CPU: 14818, 0.0031254/step Wall: 14818, 0.0031254/step, 0.285279 hours remaining, 239.457031 MB of memory in use. ENERGY: 4671400 3930.7406 20488.4858 14492.2074 236.6497 -203004.4565 2496.9290 0.0000 0.0000 52070.6467 -109288.7972 299.2507 -161359.4439 -108922.8357 299.4885 152.1945 187.2360 762205.3609 -4.0182 -3.9593 PRESSURE: 4671600 117.014 3.61582 187.064 3.61563 -178.161 66.2693 187.063 66.27 -145.947 GPRESSURE: 4671600 91.6947 -1.49574 176.64 70.5201 -111.637 60.8291 283.462 -32.7925 -122.318 PRESSAVG: 4671600 8.20633 -13.8347 -21.3342 -13.8347 -3.57494 10.8725 -21.3342 10.8726 -4.53916 GPRESSAVG: 4671600 9.02709 -16.0548 -23.4252 -12.4866 -4.44937 13.789 -21.7996 10.986 -4.62366 TIMING: 4671600 CPU: 14818.6, 0.00315106/step Wall: 14818.6, 0.00315106/step, 0.287447 hours remaining, 239.457031 MB of memory in use. ENERGY: 4671600 3929.1493 20613.9882 14527.2397 269.0120 -203487.9853 2690.6447 0.0000 0.0000 52082.2625 -109375.6889 299.3175 -161457.9514 -109002.9529 299.6225 -69.0312 -47.4203 762375.4398 0.0307 -0.0153 PRESSURE: 4671800 83.8244 293.104 -267.621 293.104 -21.1309 -154.5 -267.622 -154.499 129.823 GPRESSURE: 4671800 129.237 242.153 -154.819 347.695 -53.2602 -127.731 -218.928 -222.204 177.525 PRESSAVG: 4671800 64.9336 41.3449 13.8723 41.3448 8.17402 8.17432 13.8722 8.17435 4.58657 GPRESSAVG: 4671800 64.7176 42.8657 16.6241 41.198 7.74439 6.15289 14.4149 7.8984 5.87887 TIMING: 4671800 CPU: 14819.3, 0.00313872/step Wall: 14819.3, 0.00313872/step, 0.286147 hours remaining, 239.457031 MB of memory in use. ENERGY: 4671800 4026.5642 20465.1230 14448.8676 234.7759 -203517.4104 2611.6988 0.0000 0.0000 51991.2614 -109739.1194 298.7945 -161730.3808 -109364.0737 299.6183 64.1721 84.5005 761430.3315 25.8981 26.1136 PRESSURE: 4672000 411.803 -63.293 -76.1597 -63.2929 -418.421 -70.4972 -76.1601 -70.4967 104.094 GPRESSURE: 4672000 338.961 -78.0376 -75.8358 -29.0511 -191.287 -28.1564 -83.39 -49.119 60.9759 PRESSAVG: 4672000 0.584904 40.7726 -8.67363 40.7725 -31.0196 10.9895 -8.6736 10.9895 -4.64805 GPRESSAVG: 4672000 1.94983 41.0101 -10.4818 39.6375 -31.1671 12.6046 -8.43185 11.0205 -5.53628 TIMING: 4672000 CPU: 14819.9, 0.0031637/step Wall: 14819.9, 0.0031637/step, 0.288248 hours remaining, 239.457031 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: 4672000 3970.7530 20533.1591 14564.1846 270.3740 -203618.0226 2888.2790 0.0000 0.0000 51750.6817 -109640.5912 297.4119 -161391.2730 -109276.5877 298.6483 32.4918 69.5499 761995.6936 -11.6942 -11.5845 PRESSURE: 4672200 -69.9958 20.1417 -198.132 20.1418 87.3432 197.566 -198.132 197.565 133.421 GPRESSURE: 4672200 29.5438 -8.29115 -207.897 43.461 88.4045 164.22 -186.419 140.417 108.01 PRESSAVG: 4672200 -24.6776 -51.7659 -61.4998 -51.7659 -42.4803 -33.7579 -61.4998 -33.7579 7.1757 GPRESSAVG: 4672200 -25.5461 -52.4354 -60.7309 -51.9677 -41.848 -35.8184 -60.6972 -33.6575 7.56388 TIMING: 4672200 CPU: 14820.5, 0.00314416/step Wall: 14820.5, 0.00314417/step, 0.286294 hours remaining, 239.457031 MB of memory in use. ENERGY: 4672200 3996.8189 20415.8024 14523.2207 226.3247 -203401.4913 2509.2188 0.0000 0.0000 52394.9061 -109335.1996 301.1142 -161730.1056 -108966.9059 299.3629 50.2560 75.3195 762362.4291 -19.9940 -19.9434 LDB: ============= START OF LOAD BALANCING ============== 14833 LDB: ============== END OF LOAD BALANCING =============== 14833 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14833 LDB: ============= START OF LOAD BALANCING ============== 14833.3 LDB: Largest compute 7031 load 0.035914 is 18.4% of average load 0.195514 LDB: Average compute 0.004397 is 2.2% of average load 0.195514 LDB: TIME 14833.3 LOAD: AVG 0.195514 MAX 0.217196 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.227 MB LDB: TIME 14833.3 LOAD: AVG 0.195514 MAX 0.217196 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.43 MB LDB: TIME 14833.3 LOAD: AVG 0.195514 MAX 0.217196 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.43 MB LDB: ============== END OF LOAD BALANCING =============== 14833.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14833.3 PRESSURE: 4672400 65.5864 299.113 -82.966 299.113 60.3734 150.558 -82.9657 150.558 -183.094 GPRESSURE: 4672400 135.063 249.993 -93.7032 293.307 79.9025 74.1733 -29.0212 98.0976 -193.533 PRESSAVG: 4672400 -9.47269 6.74187 15.7541 6.74186 38.8951 25.0968 15.7541 25.0968 -7.12287 GPRESSAVG: 4672400 -9.99468 6.37934 16.3926 6.69686 39.479 26.8219 15.6777 22.769 -7.70607 TIMING: 4672400 CPU: 14821.2, 0.00322405/step Wall: 14821.2, 0.00322405/step, 0.293389 hours remaining, 240.480469 MB of memory in use. ENERGY: 4672400 4047.7893 20592.8378 14498.9316 248.9611 -203160.2519 2276.4213 0.0000 0.0000 52109.9143 -109385.3965 299.4764 -161495.3107 -109014.3012 299.9361 -19.0447 7.1441 762342.9233 7.4332 7.2594 PRESSURE: 4672600 340.509 52.0769 142.87 52.0778 95.141 76.0711 142.87 76.0711 236.567 GPRESSURE: 4672600 364.679 -9.9576 115.996 20.6144 47.1159 143.18 156.532 73.4881 327.061 PRESSAVG: 4672600 -45.3323 49.3287 24.5741 49.3286 22.6084 71.2011 24.5741 71.2011 -2.94128 GPRESSAVG: 4672600 -44.6628 48.7486 24.1966 50.4934 22.0229 71.1974 22.7002 72.7674 -3.19544 TIMING: 4672600 CPU: 14821.8, 0.00313447/step Wall: 14821.8, 0.00313447/step, 0.285062 hours remaining, 240.480469 MB of memory in use. ENERGY: 4672600 4005.8173 20721.8301 14389.8602 253.1351 -203692.7688 2821.5173 0.0000 0.0000 52134.7740 -109365.8348 299.6193 -161500.6088 -109016.6560 299.2299 224.0724 246.2853 762260.6690 -8.5550 -8.6118 PRESSURE: 4672800 -153.535 -83.8098 24.051 -83.8093 -503.203 133.261 24.0515 133.26 89.5911 GPRESSURE: 4672800 -93.9389 -62.0101 71.683 -18.0365 -419.108 56.2877 -14.2673 146.916 27.2458 PRESSAVG: 4672800 44.4916 1.59649 -59.4707 1.59652 -33.9607 52.7451 -59.4706 52.7452 4.16016 GPRESSAVG: 4672800 45.0894 4.12114 -60.0272 2.54129 -34.5205 51.3781 -58.1924 52.5414 3.82769 TIMING: 4672800 CPU: 14822.4, 0.00315679/step Wall: 14822.4, 0.00315679/step, 0.286917 hours remaining, 240.480469 MB of memory in use. ENERGY: 4672800 4055.3659 20623.0878 14420.9361 269.6987 -203509.9400 2573.2285 0.0000 0.0000 51926.3613 -109641.2617 298.4215 -161567.6230 -109284.1727 299.3503 -189.0489 -161.9336 762220.8500 4.8970 4.7989 PRESSURE: 4673000 384.494 102.624 -159.301 102.624 -34.7675 111.866 -159.3 111.866 303.851 GPRESSURE: 4673000 371.673 80.4552 -94.3029 -38.7119 71.4646 175.069 -99.4141 -65.9106 302.567 PRESSAVG: 4673000 -19.0397 -16.3059 0.0837163 -16.3059 0.127177 26.7208 0.0836865 26.7208 12.487 GPRESSAVG: 4673000 -20.3159 -17.6608 -0.281813 -18.3107 1.93496 27.0784 0.596155 27.9935 12.2582 TIMING: 4673000 CPU: 14823, 0.00313092/step Wall: 14823, 0.00313092/step, 0.284392 hours remaining, 240.480469 MB of memory in use. ENERGY: 4673000 3909.4569 20455.1733 14475.0918 233.0733 -203882.5157 2976.2818 0.0000 0.0000 52136.2472 -109697.1914 299.6277 -161833.4386 -109328.4328 298.5407 217.8592 248.5683 761608.3174 -2.1418 -2.0409 PRESSURE: 4673200 -112.32 9.15759 114.115 9.15768 96.9446 -95.6878 114.114 -95.6875 -56.5888 GPRESSURE: 4673200 -50.9412 -35.7229 157.926 131.238 165.513 21.0698 -10.2122 -74.7721 -92.1426 PRESSAVG: 4673200 15.6428 4.70577 -6.27801 4.70575 -29.0129 9.13266 -6.27802 9.13269 -18.6908 GPRESSAVG: 4673200 16.1881 4.11458 -6.09313 5.39218 -29.3703 8.96419 -6.41914 8.17174 -18.8303 TIMING: 4673200 CPU: 14823.7, 0.00313396/step Wall: 14823.7, 0.00313396/step, 0.284494 hours remaining, 240.480469 MB of memory in use. ENERGY: 4673200 3934.8386 20478.0609 14452.5188 260.8747 -203300.9580 2371.2675 0.0000 0.0000 52116.1583 -109687.2393 299.5123 -161803.3976 -109324.8184 298.6706 -23.9882 7.4765 761225.1596 -10.6870 -10.6709 PRESSURE: 4673400 169.403 71.51 307.112 71.5108 386.405 13.0595 307.113 13.0596 177.555 GPRESSURE: 4673400 188.184 67.804 299.907 -85.7011 453.405 -43.4471 274.516 67.796 170.78 PRESSAVG: 4673400 -7.56757 42.7517 0.142117 42.7518 12.5541 -5.23058 0.142164 -5.2306 2.40607 GPRESSAVG: 4673400 -7.3746 43.8597 1.71784 39.663 13.1108 -5.78944 -1.62581 -4.17605 2.14848 TIMING: 4673400 CPU: 14824.3, 0.00312525/step Wall: 14824.3, 0.00312525/step, 0.283529 hours remaining, 240.480469 MB of memory in use. ENERGY: 4673400 3947.9528 20520.0450 14508.3907 260.1033 -203820.2479 2962.9450 0.0000 0.0000 51792.3716 -109828.4394 297.6515 -161620.8111 -109466.9304 298.6279 244.4541 270.7898 760730.6680 2.4642 2.6282 PRESSURE: 4673600 315.951 -1.54518 17.6771 -1.54344 84.8563 -15.8261 17.6768 -15.827 -173.379 GPRESSURE: 4673600 322.161 19.7476 105.692 -69.7586 50.0761 -33.1507 12.7377 11.2337 -69.0195 PRESSAVG: 4673600 -13.1829 33.2062 -28.0568 33.2062 -1.10003 -48.124 -28.0568 -48.1239 4.57306 GPRESSAVG: 4673600 -13.1852 32.547 -28.7973 34.1723 -1.12244 -46.1111 -27.3742 -49.1228 4.72611 TIMING: 4673600 CPU: 14824.9, 0.00315069/step Wall: 14824.9, 0.00315069/step, 0.285663 hours remaining, 240.480469 MB of memory in use. ENERGY: 4673600 3980.5676 20575.1343 14559.1339 251.7934 -203712.7390 2729.7001 0.0000 0.0000 51856.7206 -109759.6891 298.0213 -161616.4097 -109397.4586 298.2294 75.8093 101.0724 760093.8954 -3.2366 -3.1938 PRESSURE: 4673800 -183.482 32.3552 16.0639 32.3558 -142.522 -217.383 16.0634 -217.382 -265.658 GPRESSURE: 4673800 -183.025 74.0707 15.0806 21.0053 -5.08717 -219.142 -40.1052 -130.169 -316.091 PRESSAVG: 4673800 -21.7155 -13.4656 -59.9029 -13.4656 18.7483 -57.4749 -59.903 -57.475 6.66798 GPRESSAVG: 4673800 -21.894 -13.5598 -61.547 -12.1326 19.3447 -58.0868 -58.9961 -55.0651 6.16274 TIMING: 4673800 CPU: 14825.6, 0.00315269/step Wall: 14825.6, 0.00315269/step, 0.285669 hours remaining, 240.480469 MB of memory in use. ENERGY: 4673800 4011.7964 20387.1110 14508.0591 261.5761 -203722.0028 2597.7182 0.0000 0.0000 51997.9413 -109957.8006 298.8329 -161955.7419 -109592.4989 298.4097 -197.2206 -168.0677 761708.5157 1.2336 1.2045 PRESSURE: 4674000 237.017 46.8756 -150.272 46.8761 -46.95 -95.7933 -150.272 -95.7933 -97.5257 GPRESSURE: 4674000 313.234 109.956 -67.8266 152.191 -12.8217 -73.8242 -299.38 -133.783 -112.859 PRESSAVG: 4674000 22.8964 72.3394 -45.369 72.3394 -32.018 -57.719 -45.369 -57.7191 16.3681 GPRESSAVG: 4674000 23.7702 71.0203 -43.6253 72.72 -33.6173 -59.7014 -46.2585 -58.5117 17.3858 TIMING: 4674000 CPU: 14826.2, 0.0031378/step Wall: 14826.2, 0.0031378/step, 0.284145 hours remaining, 240.480469 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: 4674000 3979.1128 20630.2397 14437.3912 229.5222 -203239.6852 2362.4436 0.0000 0.0000 51924.8282 -109676.1474 298.4127 -161600.9757 -109333.8136 298.8236 30.8470 62.5177 761378.6320 2.4155 2.5129 PRESSURE: 4674200 -278.591 -185.339 -54.1704 -185.339 4.90475 -153.562 -54.1704 -153.562 279.968 GPRESSURE: 4674200 -178.096 -141.786 -113.401 -256.952 50.6847 -93.9163 -182.672 -148.782 226.164 PRESSAVG: 4674200 73.4677 35.8386 58.7069 35.8386 1.75299 -27.6222 58.7068 -27.6222 6.33761 GPRESSAVG: 4674200 73.6401 37.554 58.5759 34.5719 2.28614 -26.2759 59.6331 -28.3656 5.98233 TIMING: 4674200 CPU: 14826.8, 0.00314095/step Wall: 14826.8, 0.00314095/step, 0.284256 hours remaining, 240.480469 MB of memory in use. ENERGY: 4674200 4037.4621 20361.5170 14432.5992 255.2734 -203852.1787 2790.7678 0.0000 0.0000 52067.7390 -109906.8203 299.2340 -161974.5593 -109544.0714 298.6140 2.0941 32.9177 761020.1752 27.1861 27.3029 PRESSURE: 4674400 -121.808 -52.2166 -124.28 -52.2176 70.7559 62.1707 -124.28 62.1724 23.8084 GPRESSURE: 4674400 -75.7551 49.001 -163.275 18.2386 126.296 187.268 -116.663 -103.195 28.7983 PRESSAVG: 4674400 26.8457 44.1896 -14.0189 44.1896 -46.3004 -37.8408 -14.0189 -37.8407 -26.7436 GPRESSAVG: 4674400 27.4655 45.3251 -15.286 44.553 -46.7931 -37.2073 -13.8519 -39.9723 -26.7075 TIMING: 4674400 CPU: 14827.4, 0.00314025/step Wall: 14827.4, 0.00314025/step, 0.284018 hours remaining, 240.480469 MB of memory in use. ENERGY: 4674400 4023.7418 20364.7363 14518.6865 239.9924 -203469.4338 2406.5984 0.0000 0.0000 51880.2703 -110035.4080 298.1566 -161915.6783 -109667.6460 297.9766 -9.0813 26.4465 760962.0188 -15.3994 -15.3450 PRESSURE: 4674600 -283.592 -169.104 -248.59 -169.104 -163.866 2.69276 -248.59 2.6937 495.212 GPRESSURE: 4674600 -178.894 -183.309 -160.43 -130.199 -164.533 -23.1008 -241.12 -38.7047 484.246 PRESSAVG: 4674600 -13.902 30.8408 -42.2498 30.8408 3.56832 -8.71393 -42.2498 -8.71386 11.0145 GPRESSAVG: 4674600 -14.2231 29.2487 -40.4759 31.4693 4.1013 -9.64555 -43.733 -6.66758 10.9118 TIMING: 4674600 CPU: 14828.1, 0.00314777/step Wall: 14828.1, 0.00314777/step, 0.284524 hours remaining, 240.480469 MB of memory in use. ENERGY: 4674600 4054.5924 20484.5309 14427.1350 242.6931 -203485.1703 2703.2973 0.0000 0.0000 51837.1358 -109735.7859 297.9087 -161572.9216 -109375.3115 298.4204 15.9179 46.9399 761405.4126 0.2269 0.2633 PRESSURE: 4674800 -169.608 -137.584 16.0961 -137.585 -440.067 273.806 16.0966 273.806 -367.665 GPRESSURE: 4674800 -135.243 -133.709 -3.17848 -89.3373 -371.195 279.419 22.3692 95.2327 -365.301 PRESSAVG: 4674800 -2.30712 -27.5884 -0.386953 -27.5884 -52.0431 -22.8229 -0.386863 -22.8228 5.19578 GPRESSAVG: 4674800 -2.40351 -27.868 -0.112752 -26.8388 -51.5049 -21.902 -0.733382 -23.5898 4.98091 TIMING: 4674800 CPU: 14828.7, 0.00314237/step Wall: 14828.7, 0.00314237/step, 0.28386 hours remaining, 240.480469 MB of memory in use. ENERGY: 4674800 3963.6678 20524.4166 14437.0898 241.8094 -202957.2526 2355.7263 0.0000 0.0000 51966.4510 -109468.0916 298.6519 -161434.5426 -109101.0561 298.5884 -325.7803 -290.5796 762322.0693 -16.3848 -16.3092 PRESSURE: 4675000 -120.754 36.0734 107.29 36.0733 -207.515 -73.6028 107.29 -73.6022 -601.74 GPRESSURE: 4675000 -60.4525 8.67798 99.1481 96.1055 -150.262 -57.8225 115.475 -143.881 -637.686 PRESSAVG: 4675000 3.93396 1.9718 -41.8725 1.97181 20.6346 -5.9963 -41.8725 -5.99627 13.04 GPRESSAVG: 4675000 2.93314 1.79811 -42.6417 0.130833 20.2465 -5.73694 -38.9537 -7.37355 13.8914 TIMING: 4675000 CPU: 14829.3, 0.00314089/step Wall: 14829.3, 0.00314089/step, 0.283552 hours remaining, 240.480469 MB of memory in use. ENERGY: 4675000 3958.5743 20343.4212 14424.8847 235.7540 -202908.8855 2212.1329 0.0000 0.0000 52125.9996 -109608.1188 299.5688 -161734.1184 -109249.1108 299.2579 -310.0031 -282.8001 762695.5068 12.5362 12.3570 PRESSURE: 4675200 -157.989 -108.752 -58.9769 -108.752 -259.285 303.527 -58.978 303.527 -256.093 GPRESSURE: 4675200 -207.187 -79.6269 -150.057 -99.6349 -131.707 286.872 -118.812 275.351 -238.928 PRESSAVG: 4675200 -12.5178 -8.22506 5.74076 -8.22503 2.34943 -3.42748 5.74072 -3.42752 10.9184 GPRESSAVG: 4675200 -13.2319 -9.40145 6.41057 -6.94941 3.0912 -5.09989 4.05098 -2.01012 10.7172 TIMING: 4675200 CPU: 14830, 0.00314334/step Wall: 14830, 0.00314334/step, 0.283599 hours remaining, 240.480469 MB of memory in use. ENERGY: 4675200 4000.9180 20555.6636 14453.7323 270.4732 -203571.7268 2656.2184 0.0000 0.0000 52022.9971 -109611.7243 298.9769 -161634.7213 -109267.1477 298.9405 -224.4557 -192.6074 761921.5386 0.2500 0.1922 PRESSURE: 4675400 25.7533 66.1228 67.9837 66.1222 -158.726 54.1344 67.9842 54.1339 466.903 GPRESSURE: 4675400 81.3332 35.4648 76.0475 58.3326 -132.567 58.111 104.048 -74.5753 488.031 PRESSAVG: 4675400 -41.2105 48.8611 20.4277 48.861 17.6498 30.3647 20.4277 30.3647 18.6565 GPRESSAVG: 4675400 -41.0852 49.9356 17.5901 48.4799 17.3265 31.1369 21.5809 30.2231 19.1773 TIMING: 4675400 CPU: 14830.6, 0.00312788/step Wall: 14830.6, 0.00312788/step, 0.282031 hours remaining, 240.480469 MB of memory in use. ENERGY: 4675400 3995.7634 20299.7538 14468.5571 248.5860 -203028.7521 2554.9069 0.0000 0.0000 51782.2138 -109678.9713 297.5931 -161461.1850 -109316.7226 299.2256 111.3101 145.5993 760795.8346 -1.6348 -1.5271 PRESSURE: 4675600 10.97 83.0371 146.757 83.0375 -186.908 206.971 146.757 206.971 0.163888 GPRESSURE: 4675600 74.0032 50.0861 119.884 101.177 -168.64 160.906 14.5182 274.57 1.10224 PRESSAVG: 4675600 14.5307 11.9532 -34.0847 11.9533 11.5039 47.8803 -34.0847 47.8804 22.1064 GPRESSAVG: 4675600 15.8812 10.3575 -32.1937 12.4677 12.1007 48.0385 -34.9384 45.7922 20.5198 TIMING: 4675600 CPU: 14831.2, 0.00314685/step Wall: 14831.2, 0.00314685/step, 0.283566 hours remaining, 240.480469 MB of memory in use. ENERGY: 4675600 4015.7550 20490.0744 14483.2963 278.1271 -203204.9034 2374.4554 0.0000 0.0000 51793.2022 -109769.9930 297.6562 -161563.1952 -109409.9719 298.7721 -58.5915 -31.1781 759530.6772 16.0470 16.1672 PRESSURE: 4675800 -76.2658 -210.972 -224.62 -210.971 -194.241 -136.142 -224.621 -136.141 186.021 GPRESSURE: 4675800 -50.0639 -54.2326 -187.004 -68.7059 -44.1516 -171.872 -175.609 -80.0733 72.6898 PRESSAVG: 4675800 26.5548 -53.3928 -14.7725 -53.3928 -28.3125 -36.0536 -14.7724 -36.0536 1.13566 GPRESSAVG: 4675800 25.4786 -51.6079 -15.7832 -52.8648 -28.0082 -35.7878 -15.1588 -35.1022 1.74858 TIMING: 4675800 CPU: 14831.8, 0.0031311/step Wall: 14831.8, 0.0031311/step, 0.281973 hours remaining, 240.480469 MB of memory in use. ENERGY: 4675800 3964.6195 20541.9671 14488.1444 254.1561 -203419.9497 2643.9484 0.0000 0.0000 51988.5639 -109538.5504 298.7790 -161527.1143 -109181.2867 298.4268 -28.1618 -7.1752 761454.5660 -0.2074 -0.2603 PRESSURE: 4676000 19.5536 159.878 95.9826 159.877 114.346 89.4883 95.9825 89.4877 -23.7343 GPRESSURE: 4676000 95.2897 204.55 110.956 70.936 96.37 42.8799 140.647 143.138 12.6458 PRESSAVG: 4676000 34.0368 -25.0531 -68.6515 -25.0531 -15.7492 21.8633 -68.6515 21.8633 3.264 GPRESSAVG: 4676000 35.5706 -24.7368 -67.6996 -23.608 -16.9199 20.6858 -69.1575 23.4449 2.97497 TIMING: 4676000 CPU: 14832.5, 0.00313965/step Wall: 14832.5, 0.00313964/step, 0.282568 hours remaining, 240.480469 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: 4676000 3924.8240 20599.9599 14466.2149 234.1222 -203337.3151 2748.9223 0.0000 0.0000 52080.0330 -109283.2387 299.3047 -161363.2717 -108923.7212 299.4609 36.7218 68.1018 761661.8145 7.1839 7.2086 PRESSURE: 4676200 86.9491 -190.79 -56.1093 -190.79 -174.927 217.004 -56.1094 217.004 504.189 GPRESSURE: 4676200 106.841 -241.282 -59.5134 -146.933 -97.8005 217.751 -208.036 123.778 470.514 PRESSAVG: 4676200 61.1386 -18.0594 -3.77864 -18.0594 -16.1776 33.7715 -3.77864 33.7715 -14.2965 GPRESSAVG: 4676200 60.035 -17.6344 -3.5153 -22.5344 -16.2622 35.0504 -4.63033 32.5532 -13.6255 TIMING: 4676200 CPU: 14833.1, 0.00315415/step Wall: 14833.1, 0.00315415/step, 0.283698 hours remaining, 240.480469 MB of memory in use. ENERGY: 4676200 3902.6125 20574.0710 14460.6350 243.1584 -203549.6739 2962.1263 0.0000 0.0000 51803.5672 -109603.5035 297.7158 -161407.0707 -109243.2436 299.5629 138.7371 159.8514 761424.9502 10.2215 10.0491 LDB: ============= START OF LOAD BALANCING ============== 14845.5 LDB: ============== END OF LOAD BALANCING =============== 14845.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14845.6 LDB: ============= START OF LOAD BALANCING ============== 14845.9 LDB: Largest compute 7078 load 0.034006 is 17.4% of average load 0.195571 LDB: Average compute 0.004371 is 2.2% of average load 0.195571 LDB: TIME 14845.9 LOAD: AVG 0.195571 MAX 0.215211 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.668 MB LDB: TIME 14845.9 LOAD: AVG 0.195571 MAX 0.215211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.668 MB LDB: TIME 14845.9 LOAD: AVG 0.195571 MAX 0.215211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.668 MB LDB: ============== END OF LOAD BALANCING =============== 14845.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14845.9 PRESSURE: 4676400 66.785 -48.0491 82.3128 -48.0494 -201.851 -62.1391 82.312 -62.1386 164.61 GPRESSURE: 4676400 -7.4826 95.4055 98.933 -118.217 -111.384 -47.9178 55.2558 -97.6824 229.426 PRESSAVG: 4676400 -18.1474 -4.75418 -10.0942 -4.7542 59.0509 -18.6372 -10.0942 -18.6372 -7.83439 GPRESSAVG: 4676400 -17.9061 -6.62944 -9.74189 -3.43574 58.9155 -18.0342 -9.23297 -18.4816 -8.10046 TIMING: 4676400 CPU: 14833.7, 0.00324301/step Wall: 14833.7, 0.00324301/step, 0.291511 hours remaining, 239.968750 MB of memory in use. ENERGY: 4676400 3974.1780 20567.4525 14437.1040 229.6724 -203185.1231 2357.3666 0.0000 0.0000 51995.1210 -109624.2286 298.8167 -161619.3496 -109263.0202 298.7638 9.8480 36.8533 761493.9752 11.0230 10.9696 PRESSURE: 4676600 -246.622 128.87 -103.7 128.87 -45.9454 -101.891 -103.701 -101.891 -28.5536 GPRESSURE: 4676600 -220.4 208.73 -104.815 105.011 -20.0965 -27.8167 31.7316 25.2451 -11.7981 PRESSAVG: 4676600 16.6022 27.8938 -7.15809 27.8938 -40.4811 -3.40469 -7.15811 -3.40463 7.29849 GPRESSAVG: 4676600 17.4742 31.199 -8.5792 29.679 -40.7668 -4.26819 -7.79249 -4.22782 6.56515 TIMING: 4676600 CPU: 14834.4, 0.00317306/step Wall: 14834.4, 0.00317306/step, 0.285047 hours remaining, 239.968750 MB of memory in use. ENERGY: 4676600 3915.6458 20715.3437 14506.3393 234.7910 -203716.0583 2725.7889 0.0000 0.0000 51999.5896 -109618.5600 298.8424 -161618.1496 -109254.6478 299.0027 -107.0404 -84.0980 760763.7938 -5.5268 -5.5758 PRESSURE: 4676800 -482.83 157.929 130.305 157.93 -246.057 50.4063 130.305 50.4066 -499.942 GPRESSURE: 4676800 -504.275 84.9132 125.672 77.4718 -148.61 35.4275 191.283 156.596 -479.367 PRESSAVG: 4676800 42.694 22.7178 41.111 22.7178 -4.48061 25.7137 41.1109 25.7136 -16.1825 GPRESSAVG: 4676800 41.3228 20.4534 41.5453 21.4515 -3.9875 26.1594 43.5971 24.7741 -15.1214 TIMING: 4676800 CPU: 14835, 0.00316888/step Wall: 14835, 0.00316888/step, 0.284495 hours remaining, 239.968750 MB of memory in use. ENERGY: 4676800 3913.3985 20531.0441 14434.4966 236.2112 -203001.3081 2315.1455 0.0000 0.0000 52021.8682 -109549.1441 298.9704 -161571.0122 -109196.1159 299.4071 -409.6094 -377.4173 763216.2408 7.3437 7.4047 PRESSURE: 4677000 85.1127 14.8891 16.4892 14.8894 43.1847 17.4776 16.489 17.4769 -91.1993 GPRESSURE: 4677000 239.369 86.5606 -58.9167 -27.0485 12.2105 -74.9214 -40.7205 161.301 -160.655 PRESSAVG: 4677000 4.84231 -23.8451 36.8983 -23.8451 -43.5305 24.107 36.8983 24.1069 7.80004 GPRESSAVG: 4677000 5.65623 -21.8036 36.3623 -25.1846 -44.1375 23.4059 35.2065 26.4949 7.77281 TIMING: 4677000 CPU: 14835.6, 0.00315377/step Wall: 14835.6, 0.00315377/step, 0.282963 hours remaining, 239.968750 MB of memory in use. ENERGY: 4677000 4008.0493 20507.0122 14504.5559 235.6412 -203668.2984 2684.3118 0.0000 0.0000 52285.8164 -109442.9117 300.4873 -161728.7281 -109077.5248 299.3581 12.3660 30.3082 761658.3959 -10.2960 -10.2362 PRESSURE: 4677200 -212.771 42.1542 108.401 42.1546 -211.075 -186.66 108.402 -186.659 -306.224 GPRESSURE: 4677200 -95.3736 3.52262 168.27 53.1776 -186.534 -174.989 -129.675 -143.385 -343.248 PRESSAVG: 4677200 5.01988 -13.3511 4.13061 -13.3511 8.60665 -38.8997 4.13059 -38.8997 9.45387 GPRESSAVG: 4677200 4.95326 -14.9914 4.64051 -13.6721 8.55404 -38.2224 4.2615 -39.8769 9.04545 TIMING: 4677200 CPU: 14836.3, 0.00314416/step Wall: 14836.3, 0.00314416/step, 0.281926 hours remaining, 239.968750 MB of memory in use. ENERGY: 4677200 4077.3581 20493.3801 14451.9832 239.1940 -203391.5286 2491.9130 0.0000 0.0000 52167.6705 -109470.0298 299.8083 -161637.7003 -109107.4087 299.3513 -243.3567 -208.3849 760277.2380 7.6935 7.5176 PRESSURE: 4677400 231.401 -65.6471 76.547 -65.6468 128.217 274.866 76.5475 274.866 106.838 GPRESSURE: 4677400 348.512 -57.4942 80.9929 15.0313 91.2189 182.263 176.672 144.287 114.557 PRESSAVG: 4677400 14.5799 -37.0296 -22.4044 -37.0296 30.6037 -33.0811 -22.4044 -33.0812 9.51489 GPRESSAVG: 4677400 16.0819 -37.9829 -21.9495 -33.4599 28.8589 -33.1642 -21.291 -32.7441 10.1202 TIMING: 4677400 CPU: 14836.9, 0.00315262/step Wall: 14836.9, 0.00315263/step, 0.28251 hours remaining, 239.968750 MB of memory in use. ENERGY: 4677400 4063.6030 20385.6359 14419.9311 237.5735 -203626.1698 2811.1301 0.0000 0.0000 52332.9946 -109375.3017 300.7584 -161708.2962 -108999.8922 299.7413 155.4852 184.7626 761316.8394 18.2328 18.3537 PRESSURE: 4677600 -279.363 -110.743 102.01 -110.743 -5.25312 107.455 102.011 107.455 63.349 GPRESSURE: 4677600 -203.046 -109.789 162.813 -108.137 20.9238 142.476 -20.4053 249.015 57.0986 PRESSAVG: 4677600 18.5514 -32.6855 -37.0601 -32.6856 -1.62512 -23.4795 -37.0601 -23.4795 1.68552 GPRESSAVG: 4677600 16.7529 -33.8244 -37.5395 -33.5155 -0.105211 -22.1408 -39.4209 -24.6099 1.85093 TIMING: 4677600 CPU: 14837.5, 0.00315716/step Wall: 14837.5, 0.00315716/step, 0.282741 hours remaining, 239.968750 MB of memory in use. ENERGY: 4677600 4116.1154 20579.1161 14456.8368 233.5889 -203609.5338 2637.6104 0.0000 0.0000 52256.1091 -109330.1572 300.3166 -161586.2663 -108977.8736 299.8702 -73.7557 -41.6744 760177.3579 6.2039 6.1662 PRESSURE: 4677800 -199.556 -49.6247 95.64 -49.6239 -149.508 -115.158 95.64 -115.158 -42.6113 GPRESSURE: 4677800 -122.965 -159.581 36.2257 -74.6742 -199.81 -171.082 19.6589 -168.527 13.6235 PRESSAVG: 4677800 -9.04467 -59.3143 18.7605 -59.3143 4.3541 3.08363 18.7605 3.08362 18.2134 GPRESSAVG: 4677800 -8.37658 -59.6186 18.9353 -61.3897 3.47045 1.63004 19.4808 4.27129 18.3161 TIMING: 4677800 CPU: 14838.2, 0.00318002/step Wall: 14838.2, 0.00318002/step, 0.284611 hours remaining, 239.968750 MB of memory in use. ENERGY: 4677800 3935.1845 20662.5105 14444.7061 249.0611 -203420.4780 2488.6623 0.0000 0.0000 52012.1723 -109628.1811 298.9147 -161640.3534 -109264.5926 299.2613 -130.5583 -103.0505 760498.1581 4.5076 4.4700 PRESSURE: 4678000 103.072 -7.90386 211.107 -7.90377 -104.873 -32.8151 211.108 -32.8145 240.151 GPRESSURE: 4678000 14.0489 -67.5434 230.403 82.9091 61.36 30.9069 302.941 106.789 236.767 PRESSAVG: 4678000 22.66 -29.5102 -2.89009 -29.5102 -17.8276 -3.99232 -2.89009 -3.99227 2.23439 GPRESSAVG: 4678000 20.91 -27.1988 -3.04253 -27.4083 -16.7356 -2.08956 -3.01958 -3.58941 2.86928 TIMING: 4678000 CPU: 14838.8, 0.00315349/step Wall: 14838.8, 0.00315349/step, 0.282062 hours remaining, 239.968750 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: 4678000 3998.1200 20696.8523 14444.4445 272.6400 -203990.0446 2946.3219 0.0000 0.0000 52044.1332 -109587.5328 299.0983 -161631.6660 -109219.4035 299.4184 79.4501 104.0586 760330.9164 2.3556 2.3479 PRESSURE: 4678200 361.037 20.7782 235.377 20.7793 280.48 81.2341 235.377 81.2339 -383.006 GPRESSURE: 4678200 391.213 119.233 209.953 62.9545 259.729 58.1387 205.41 137.256 -318.799 PRESSAVG: 4678200 46.0385 0.910892 16.1858 0.910915 -26.6461 1.31538 16.1858 1.31538 -7.46788 GPRESSAVG: 4678200 46.5555 0.777876 16.4457 1.34934 -26.7182 -0.339171 18.4187 0.818782 -8.11686 TIMING: 4678200 CPU: 14839.4, 0.00313888/step Wall: 14839.4, 0.00313888/step, 0.280581 hours remaining, 239.968750 MB of memory in use. ENERGY: 4678200 4007.6897 20671.2443 14549.4975 237.1922 -203774.7190 2881.9444 0.0000 0.0000 51987.8149 -109439.3361 298.7747 -161427.1510 -109065.7531 299.3934 86.1701 110.7145 759620.0069 3.9748 3.9068 PRESSURE: 4678400 -343.596 123.262 -208.742 123.261 -448.209 -259.694 -208.743 -259.694 45.3608 GPRESSURE: 4678400 -199.182 169.978 -146.946 100.94 -480.587 -296.796 -153.101 -236.305 26.4346 PRESSAVG: 4678400 73.1773 -18.3013 7.24088 -18.3012 -117.215 7.40562 7.24094 7.40554 -6.18854 GPRESSAVG: 4678400 73.2533 -16.9142 8.41746 -19.5408 -117.753 8.70408 4.35934 6.92665 -5.98836 TIMING: 4678400 CPU: 14840.1, 0.00311894/step Wall: 14840.1, 0.00311894/step, 0.278626 hours remaining, 239.968750 MB of memory in use. ENERGY: 4678400 4018.2526 20607.2566 14475.4065 251.2766 -203237.8249 2289.3637 0.0000 0.0000 52084.7173 -109511.5516 299.3316 -161596.2689 -109150.0926 299.3198 -248.8149 -217.7783 762229.1835 -16.7421 -16.8295 PRESSURE: 4678600 -48.1667 70.071 294.161 70.07 162.284 261.81 294.159 261.81 348.167 GPRESSURE: 4678600 -19.3152 77.0698 329.667 91.2822 186.051 224.227 370.63 104.246 391.517 PRESSAVG: 4678600 51.2684 -79.5253 -45.4151 -79.5254 -26.4377 5.98006 -45.4151 5.98005 0.908992 GPRESSAVG: 4678600 51.9736 -82.7364 -47.4812 -80.1658 -26.9441 5.32624 -44.1696 6.94277 0.827556 TIMING: 4678600 CPU: 14840.7, 0.00313871/step Wall: 14840.7, 0.00313871/step, 0.280217 hours remaining, 239.968750 MB of memory in use. ENERGY: 4678600 3945.8281 20491.3091 14467.1699 248.4731 -203440.6801 2862.6590 0.0000 0.0000 52037.6133 -109387.6277 299.0609 -161425.2409 -109026.7209 299.3913 154.0947 186.0842 761400.4234 8.5799 8.6190 PRESSURE: 4678800 -41.3289 -201.711 16.436 -201.711 85.0525 -46.4526 16.4361 -46.4528 -352.019 GPRESSURE: 4678800 -23.4342 -312.009 -7.23207 -213.938 143.168 92.1784 -12.9715 -119.581 -357.509 PRESSAVG: 4678800 30.6493 -11.2345 -33.0871 -11.2346 -31.0979 -19.4009 -33.0871 -19.4009 14.6975 GPRESSAVG: 4678800 28.4163 -10.4637 -32.1114 -10.7762 -29.1529 -17.9879 -32.3459 -21.3471 14.91 TIMING: 4678800 CPU: 14841.3, 0.00314152/step Wall: 14841.3, 0.00314152/step, 0.280294 hours remaining, 239.968750 MB of memory in use. ENERGY: 4678800 4043.5335 20628.6108 14488.0373 253.6042 -203637.1988 2701.4482 0.0000 0.0000 52330.5157 -109191.4491 300.7442 -161521.9648 -108816.2698 299.7908 -102.7653 -79.2585 761693.0936 4.7496 4.7245 PRESSURE: 4679000 -253.107 -272.026 -70.1925 -272.026 -35.4012 -280.619 -70.1922 -280.619 -41.3975 GPRESSURE: 4679000 -164.664 -184.512 -194.855 -276.279 13.0282 -278.84 -20.3113 -115.621 -75.3468 PRESSAVG: 4679000 -4.76278 -64.1436 -33.8416 -64.1436 6.47658 -25.7 -33.8416 -25.7 8.90174 GPRESSAVG: 4679000 -4.27923 -63.1878 -32.338 -64.2525 6.73845 -27.8148 -35.4154 -24.7257 8.77983 TIMING: 4679000 CPU: 14841.9, 0.0031404/step Wall: 14841.9, 0.0031404/step, 0.280019 hours remaining, 239.968750 MB of memory in use. ENERGY: 4679000 4043.8474 20702.3908 14432.1126 257.2719 -203332.4685 2431.1799 0.0000 0.0000 52115.3052 -109350.3608 299.5074 -161465.6660 -108991.8963 300.1481 -109.9687 -75.6609 760810.9711 3.5385 3.7463 PRESSURE: 4679200 150.612 194.338 47.4765 194.338 241.539 71.6408 47.4772 71.6403 398.219 GPRESSURE: 4679200 217.432 232.248 11.0052 289.169 275.42 9.8366 155.547 26.9577 394.241 PRESSAVG: 4679200 51.0864 6.44538 -74.1421 6.44536 -40.0878 -30.2218 -74.1421 -30.2219 -6.58647 GPRESSAVG: 4679200 53.2325 6.85308 -75.5686 8.31648 -42.0467 -29.5255 -72.8966 -29.0694 -6.68651 TIMING: 4679200 CPU: 14842.6, 0.00313174/step Wall: 14842.6, 0.00313174/step, 0.279073 hours remaining, 239.968750 MB of memory in use. ENERGY: 4679200 4023.1291 20568.7925 14436.5712 223.3000 -203545.8438 2882.5212 0.0000 0.0000 52121.1402 -109290.3897 299.5409 -161411.5298 -108929.7995 299.7971 263.4567 295.6977 762170.6510 1.4707 1.4998 PRESSURE: 4679400 23.7967 -16.796 -119.445 -16.7964 236.678 156.525 -119.445 156.526 -323.162 GPRESSURE: 4679400 123.886 -36.3252 -97.4124 -63.2707 179.18 187.51 -65.4574 184.77 -284.096 PRESSAVG: 4679400 49.7454 -65.5847 22.5494 -65.5847 -38.1642 25.3788 22.5494 25.3787 -8.80058 GPRESSAVG: 4679400 49.4364 -67.4171 24.2802 -66.659 -38.8802 23.4777 19.9599 25.3648 -8.15074 TIMING: 4679400 CPU: 14843.2, 0.003109/step Wall: 14843.2, 0.003109/step, 0.276873 hours remaining, 239.968750 MB of memory in use. ENERGY: 4679400 4017.6152 20618.2151 14406.2770 263.8007 -203479.9356 2586.4590 0.0000 0.0000 52288.4416 -109299.1271 300.5024 -161587.5687 -108933.1481 300.3727 -20.8957 6.3235 761714.0375 0.9269 0.8018 PRESSURE: 4679600 -122.58 -212.764 78.4198 -212.763 113.832 -108.342 78.4205 -108.342 -78.684 GPRESSURE: 4679600 -32.3735 -191.644 20.2469 -172.432 160.39 -70.1566 -25.0822 -135.481 -136.402 PRESSAVG: 4679600 39.1072 -85.0634 -7.64816 -85.0634 -60.8399 -8.59729 -7.64824 -8.59727 1.9127 GPRESSAVG: 4679600 39.2331 -85.6036 -8.57644 -84.3667 -59.0895 -7.85287 -3.84694 -9.14045 -0.286281 TIMING: 4679600 CPU: 14843.8, 0.00313029/step Wall: 14843.8, 0.00313029/step, 0.278596 hours remaining, 239.968750 MB of memory in use. ENERGY: 4679600 4062.4255 20601.6745 14495.6038 265.8295 -204019.4189 2869.3773 0.0000 0.0000 52157.6193 -109566.8889 299.7506 -161724.5083 -109203.1613 300.1714 -29.1438 -2.7952 760364.4983 -6.6067 -6.7142 PRESSURE: 4679800 -260.189 -95.9826 122.426 -95.9825 1.60058 189.435 122.426 189.436 283.44 GPRESSURE: 4679800 -224.898 -238.177 184.381 -187.627 87.1637 260.48 66.8482 46.4771 249.422 PRESSAVG: 4679800 4.58045 -40.6464 10.3731 -40.6464 -34.6768 -35.4978 10.3731 -35.4978 -1.61288 GPRESSAVG: 4679800 3.91574 -40.9268 11.212 -41.5267 -34.8653 -34.268 9.31435 -36.6827 -0.875397 TIMING: 4679800 CPU: 14844.4, 0.00311714/step Wall: 14844.4, 0.00311714/step, 0.277253 hours remaining, 239.968750 MB of memory in use. ENERGY: 4679800 4000.2109 20682.9144 14484.2211 239.8816 -203369.3434 2481.7972 0.0000 0.0000 51890.1195 -109590.1985 298.2132 -161480.3180 -109234.0742 299.6054 8.2838 37.2292 760385.2880 -10.5698 -10.6083 PRESSURE: 4680000 -272.361 209.853 27.9027 209.853 57.774 -193.147 27.902 -193.147 -57.9616 GPRESSURE: 4680000 -177.822 148.38 68.8985 169.621 72.809 -127.229 72.9742 -184.125 -84.3839 PRESSAVG: 4680000 -21.3012 -6.6248 -11.8287 -6.6248 31.5072 12.0195 -11.8287 12.0194 -9.81193 GPRESSAVG: 4680000 -22.709 -4.27124 -13.7729 -4.63951 31.8016 11.1586 -11.8772 11.9919 -9.17658 TIMING: 4680000 CPU: 14845.1, 0.00312342/step Wall: 14845.1, 0.00312342/step, 0.277637 hours remaining, 239.968750 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: 4680000 4072.8986 20540.5914 14485.6919 231.0553 -203623.4645 2525.7965 0.0000 0.0000 52077.6187 -109689.8121 299.2908 -161767.4308 -109334.4900 299.5278 -90.8495 -63.1323 759898.3153 0.1313 -0.0280 PRESSURE: 4680200 -149.903 184.017 -41.2739 184.017 84.4233 66.1005 -41.2742 66.0989 139.566 GPRESSURE: 4680200 -131.875 2.53538 -15.6158 112.813 130.621 151.257 -38.8849 -115.461 183.494 PRESSAVG: 4680200 19.248 42.8089 -1.9045 42.8089 3.77831 -12.0601 -1.90441 -12.0601 -8.56757 GPRESSAVG: 4680200 20.8721 41.9107 -1.09213 41.8755 4.03755 -11.5779 -3.43092 -13.011 -9.93804 TIMING: 4680200 CPU: 14845.7, 0.00311901/step Wall: 14845.7, 0.00311901/step, 0.277072 hours remaining, 239.968750 MB of memory in use. ENERGY: 4680200 3906.2054 20395.2854 14410.7646 245.6576 -203719.6158 2551.4775 0.0000 0.0000 52376.0008 -109834.2244 301.0056 -162210.2252 -109466.4529 299.1359 24.6956 60.7466 758540.5611 4.8196 4.9906 LDB: ============= START OF LOAD BALANCING ============== 14858.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14858.1 LDB: =============== DONE WITH MIGRATION ================ 14858.1 LDB: ============= START OF LOAD BALANCING ============== 14858.4 LDB: Largest compute 7078 load 0.032963 is 16.9% of average load 0.195572 LDB: Average compute 0.004372 is 2.2% of average load 0.195572 LDB: TIME 14858.5 LOAD: AVG 0.195572 MAX 0.214289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.738 MB LDB: TIME 14858.5 LOAD: AVG 0.195572 MAX 0.214289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: TIME 14858.5 LOAD: AVG 0.195572 MAX 0.214289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: ============== END OF LOAD BALANCING =============== 14858.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14858.5 PRESSURE: 4680400 -58.5551 20.6148 140.69 20.6152 295.58 -47.65 140.69 -47.6495 449.908 GPRESSURE: 4680400 11.8527 45.2775 87.5704 8.62158 320.525 -77.0157 130.501 -211.849 438.726 PRESSAVG: 4680400 -1.29399 -42.6743 -19.0295 -42.6743 -2.59078 26.9086 -19.0295 26.9086 4.21665 GPRESSAVG: 4680400 -1.76908 -42.0341 -19.3994 -42.6756 -3.34076 26.0213 -17.7909 25.9748 5.22435 TIMING: 4680400 CPU: 14846.3, 0.00318893/step Wall: 14846.3, 0.00318893/step, 0.283106 hours remaining, 239.968750 MB of memory in use. ENERGY: 4680400 4033.5213 20648.6298 14494.4638 253.7894 -203552.0648 2466.3402 0.0000 0.0000 51891.3852 -109763.9352 298.2205 -161655.3204 -109401.8205 298.9564 228.9778 257.0348 759239.4775 0.1106 0.0382 PRESSURE: 4680600 -109.866 -49.0845 -181.522 -49.0841 200.217 3.9114 -181.522 3.9121 183.49 GPRESSURE: 4680600 55.2384 -164.162 -155.851 -158.027 176.983 72.1566 -166.253 -108.183 122.253 PRESSAVG: 4680600 -4.83825 -52.5221 8.8507 -52.522 -10.1244 -8.59277 8.85071 -8.59278 -2.11469 GPRESSAVG: 4680600 -3.94647 -53.1954 11.2348 -53.7269 -10.1916 -9.189 8.89771 -7.17125 -2.89306 TIMING: 4680600 CPU: 14846.9, 0.00313702/step Wall: 14846.9, 0.00313702/step, 0.278324 hours remaining, 239.968750 MB of memory in use. ENERGY: 4680600 3955.5739 20651.5616 14529.0923 235.1150 -203553.8518 2371.0734 0.0000 0.0000 51904.7328 -109906.7029 298.2972 -161811.4356 -109552.3849 299.0129 91.2803 118.1583 759406.7952 -5.6924 -5.6770 PRESSURE: 4680800 272.501 41.4752 -103.649 41.4746 149.386 112.025 -103.648 112.026 385.094 GPRESSURE: 4680800 220.571 -50.3101 -7.06881 -31.7009 303.489 147.832 -158.965 82.5688 375.474 PRESSAVG: 4680800 -15.103 -4.10282 9.07115 -4.10281 36.9704 -24.7811 9.07119 -24.7811 5.15613 GPRESSAVG: 4680800 -15.5662 -6.03127 8.04352 -2.89352 37.1103 -25.1322 6.36151 -25.0604 5.93717 TIMING: 4680800 CPU: 14847.6, 0.00312431/step Wall: 14847.6, 0.00312431/step, 0.277022 hours remaining, 239.968750 MB of memory in use. ENERGY: 4680800 4008.8047 20422.2517 14441.5367 256.6788 -203874.8192 2758.6905 0.0000 0.0000 52085.6299 -109901.2268 299.3368 -161986.8567 -109540.6337 299.2300 268.9936 299.8448 759074.5821 9.0078 9.1604 PRESSURE: 4681000 -268.788 -87.6965 -50.4556 -87.6964 -398.193 -105.823 -50.4558 -105.823 -417.777 GPRESSURE: 4681000 -178.686 -206.951 -53.6182 -176.644 -375.465 -77.4419 43.537 -126.319 -431.78 PRESSAVG: 4681000 23.6195 -27.4755 -34.374 -27.4755 -7.50044 44.675 -34.374 44.6749 16.5672 GPRESSAVG: 4681000 23.812 -25.5443 -34.1308 -29.7309 -7.4621 46.9985 -32.6837 44.0166 16.6159 TIMING: 4681000 CPU: 14848.2, 0.00312891/step Wall: 14848.2, 0.00312891/step, 0.277256 hours remaining, 239.968750 MB of memory in use. ENERGY: 4681000 4085.8744 20521.4580 14426.5535 249.5953 -203288.7664 2219.7009 0.0000 0.0000 51958.7033 -109826.8810 298.6074 -161785.5843 -109456.8084 299.3342 -361.5861 -328.6436 759266.8801 10.8954 10.9886 PRESSURE: 4681200 303.301 3.77899 32.4839 3.77822 385.407 -19.9111 32.484 -19.9107 383.367 GPRESSURE: 4681200 436.785 -31.896 1.37916 -67.1767 398.633 -3.59517 39.6313 -30.2708 355.026 PRESSAVG: 4681200 19.8087 -80.9217 33.8475 -80.9217 -37.1523 51.5938 33.8474 51.5939 -6.34224 GPRESSAVG: 4681200 21.0202 -80.1033 33.4391 -80.1208 -36.7666 49.3233 35.1861 54.8308 -7.50954 TIMING: 4681200 CPU: 14848.8, 0.00312076/step Wall: 14848.8, 0.00312076/step, 0.276361 hours remaining, 239.968750 MB of memory in use. ENERGY: 4681200 4010.3801 20546.7587 14358.4816 272.3240 -203842.3425 2903.7089 0.0000 0.0000 51878.8637 -109871.8256 298.1485 -161750.6893 -109504.4444 299.0517 357.3586 396.8149 760023.1085 -7.8953 -7.7520 PRESSURE: 4681400 -311.378 -131.139 99.2838 -131.139 -168.805 166.761 99.2831 166.761 124.41 GPRESSURE: 4681400 -222.862 -136.634 126.248 6.05782 -157.966 50.0195 93.4199 233.541 113.452 PRESSAVG: 4681400 2.42755 -68.3953 2.75677 -68.3952 18.639 -9.90584 2.75672 -9.90578 -10.8086 GPRESSAVG: 4681400 1.37242 -68.3058 3.59378 -67.8235 19.0319 -9.00853 1.80589 -12.8354 -9.90531 TIMING: 4681400 CPU: 14849.5, 0.00315386/step Wall: 14849.5, 0.00315386/step, 0.279117 hours remaining, 239.968750 MB of memory in use. ENERGY: 4681400 3953.0298 20594.0959 14392.4985 232.6966 -203733.4031 2590.0442 0.0000 0.0000 51797.5265 -110173.5114 297.6811 -161971.0379 -109803.2631 298.6306 -118.5909 -89.1254 759670.7987 3.4193 3.4997 PRESSURE: 4681600 172.67 12.266 74.8535 12.2658 -55.957 -303.188 74.8544 -303.188 -12.1381 GPRESSURE: 4681600 107.488 -41.3954 40.6482 145.201 80.5074 -287.318 71.1958 -85.544 2.61629 PRESSAVG: 4681600 -12.6364 -13.442 20.4502 -13.442 -17.1408 -41.9114 20.4502 -41.9115 12.4488 GPRESSAVG: 4681600 -12.5175 -14.6985 19.4771 -13.9862 -17.5079 -41.4146 18.7453 -39.4578 13.2171 TIMING: 4681600 CPU: 14850.1, 0.00314372/step Wall: 14850.1, 0.00314372/step, 0.278044 hours remaining, 239.968750 MB of memory in use. ENERGY: 4681600 4008.9703 20586.4362 14404.2284 233.8140 -203772.7081 2523.8357 0.0000 0.0000 52025.2426 -109990.1809 298.9898 -162015.4236 -109613.8017 298.4872 34.8582 63.5371 759964.7101 -5.7761 -5.6028 PRESSURE: 4681800 -194.857 -91.7725 -114.577 -91.7717 22.3506 85.4549 -114.578 85.4537 -151.122 GPRESSURE: 4681800 -137.514 -29.5123 -250.867 -83.0969 -24.713 158.367 -192.125 10.1852 -68.3883 PRESSAVG: 4681800 49.5421 -24.7509 37.0735 -24.7509 3.65748 4.43298 37.0736 4.43294 -0.339832 GPRESSAVG: 4681800 49.7631 -23.1076 35.9642 -26.0857 3.27841 5.84694 39.2012 3.02082 0.235916 TIMING: 4681800 CPU: 14850.7, 0.00311635/step Wall: 14850.7, 0.00311635/step, 0.27545 hours remaining, 239.968750 MB of memory in use. ENERGY: 4681800 3897.8159 20549.0077 14376.6324 254.6213 -203641.9259 2365.9601 0.0000 0.0000 52284.4199 -109913.4687 300.4793 -162197.8885 -109544.1763 298.4042 -107.8761 -76.8718 760221.2787 17.6199 17.7592 PRESSURE: 4682000 208.5 30.0107 94.554 30.0103 14.7473 97.4669 94.5547 97.4678 -117.572 GPRESSURE: 4682000 154.548 128.16 177.014 78.655 101.856 95.9324 77.4515 52.2366 -72.7547 PRESSAVG: 4682000 72.1631 -3.77229 10.4308 -3.77232 7.14899 37.0101 10.4308 37.0101 1.27867 GPRESSAVG: 4682000 71.5452 -4.76687 11.0852 -1.31679 8.16338 36.6451 11.1572 36.1581 1.02888 TIMING: 4682000 CPU: 14851.3, 0.00311283/step Wall: 14851.3, 0.00311283/step, 0.274967 hours remaining, 239.968750 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: 4682000 4009.4561 20626.5288 14371.1826 262.8079 -203850.8158 2773.9877 0.0000 0.0000 51832.8603 -109973.9924 297.8842 -161806.8527 -109618.3224 298.4863 35.2253 61.2165 760556.7905 26.8636 26.9125 PRESSURE: 4682200 -272.167 -5.97166 115.958 -5.97162 -172.22 -273.976 115.958 -273.978 326.111 GPRESSURE: 4682200 -218.386 -83.3701 97.527 96.3889 -151.479 -246.03 174.455 -261.3 328.317 PRESSAVG: 4682200 -8.48727 1.72411 20.4297 1.72409 26.0379 48.3698 20.4298 48.3699 -12.7936 GPRESSAVG: 4682200 -8.59684 1.71283 19.2793 0.0662913 24.886 47.0504 19.8219 49.6714 -11.7367 TIMING: 4682200 CPU: 14852, 0.00312366/step Wall: 14852, 0.00312366/step, 0.27575 hours remaining, 239.968750 MB of memory in use. ENERGY: 4682200 4017.5314 20603.6427 14426.7383 246.8273 -204155.9526 2835.3554 0.0000 0.0000 52156.9423 -109868.9152 299.7467 -162025.8575 -109496.6749 299.3073 -39.4255 -13.8494 760451.7778 1.5857 1.5175 PRESSURE: 4682400 145.551 41.4053 -168.613 41.4052 -396.134 -52.4186 -168.612 -52.418 -130.281 GPRESSURE: 4682400 87.6493 92.747 -224.827 82.0785 -312.295 10.3809 2.37408 -90.3749 -68.2987 PRESSAVG: 4682400 -1.05398 0.364739 -26.0323 0.364706 46.5845 28.7075 -26.0324 28.7074 26.3448 GPRESSAVG: 4682400 -0.595413 1.28015 -25.6128 -0.365012 47.1073 28.8256 -27.1651 28.4673 25.125 TIMING: 4682400 CPU: 14852.6, 0.00312679/step Wall: 14852.6, 0.00312679/step, 0.275852 hours remaining, 239.968750 MB of memory in use. ENERGY: 4682400 3946.2198 20405.7550 14472.3112 227.6070 -203869.6570 2721.4434 0.0000 0.0000 52181.4623 -109914.8584 299.8876 -162096.3207 -109535.8674 299.6773 -126.9548 -97.6482 762156.9362 23.9584 23.8790 PRESSURE: 4682600 61.547 15.6709 115.241 15.6705 61.3189 16.79 115.24 16.789 39.6786 GPRESSURE: 4682600 96.5593 35.4123 106.166 33.016 128.125 -81.6185 159.219 72.2562 24.9091 PRESSAVG: 4682600 -1.25763 18.27 -26.7043 18.2701 -9.55019 56.0566 -26.7043 56.0566 -7.97459 GPRESSAVG: 4682600 -2.56159 18.5824 -26.8637 22.0748 -8.65949 54.5851 -24.6065 56.9802 -7.78801 TIMING: 4682600 CPU: 14853.2, 0.00313048/step Wall: 14853.2, 0.00313048/step, 0.276004 hours remaining, 239.968750 MB of memory in use. ENERGY: 4682600 4029.0265 20648.8717 14414.6722 230.1978 -204096.9557 3021.8000 0.0000 0.0000 52106.1033 -109646.2842 299.4545 -161752.3875 -109287.6773 298.8375 54.1815 83.1977 762840.8495 -6.2608 -6.3364 PRESSURE: 4682800 -265.87 147.862 -98.0386 147.862 82.6993 126.291 -98.0381 126.29 -170.448 GPRESSURE: 4682800 -172.811 239.472 -34.0169 52.6081 39.0147 80.4496 -172.435 -11.2534 -139.314 PRESSAVG: 4682800 -36.6457 3.75435 24.0718 3.75432 41.2747 -21.5683 24.0719 -21.5683 7.95873 GPRESSAVG: 4682800 -35.218 2.90674 23.9 2.45431 40.4028 -19.0159 21.7078 -23.2476 7.61691 TIMING: 4682800 CPU: 14853.8, 0.00316127/step Wall: 14853.8, 0.00316127/step, 0.278543 hours remaining, 239.968750 MB of memory in use. ENERGY: 4682800 4024.7951 20445.8042 14480.3799 222.6848 -203588.5079 2794.6676 0.0000 0.0000 52094.8910 -109525.2853 299.3901 -161620.1763 -109156.1170 299.4194 -117.8730 -91.0368 761666.1432 4.1959 4.2672 PRESSURE: 4683000 -134.659 -5.4362 -174.843 -5.43653 -262.577 -116.429 -174.842 -116.429 -466.616 GPRESSURE: 4683000 -93.9373 31.1555 -146.764 -33.1686 -253.78 -77.8962 -192.729 -110.584 -443.117 PRESSAVG: 4683000 -45.252 -16.9345 10.4425 -16.9346 37.8395 10.1441 10.4425 10.144 17.3569 GPRESSAVG: 4683000 -46.0074 -17.4201 13.0956 -17.9219 37.6043 8.02521 9.163 9.98368 18.5449 TIMING: 4683000 CPU: 14854.5, 0.00315384/step Wall: 14854.5, 0.00315384/step, 0.277713 hours remaining, 239.968750 MB of memory in use. ENERGY: 4683000 4074.5041 20776.1242 14483.7002 240.0214 -203478.1359 2285.4100 0.0000 0.0000 52108.8006 -109509.5754 299.4700 -161618.3760 -109141.5403 299.5315 -287.9507 -263.6113 760893.0755 3.3148 3.3806 PRESSURE: 4683200 319.113 133.388 -154.437 133.387 220.735 -37.0839 -154.437 -37.0834 95 GPRESSURE: 4683200 439.421 167.402 -131.437 92.7477 143.61 -20.5289 -22.7646 -41.5113 117.684 PRESSAVG: 4683200 -19.2273 51.2117 -9.85129 51.2116 -8.82986 11.678 -9.85124 11.678 -8.77863 GPRESSAVG: 4683200 -17.4773 52.4284 -13.3731 51.0764 -8.82451 12.3549 -6.22803 11.9115 -10.3483 TIMING: 4683200 CPU: 14855.1, 0.0031363/step Wall: 14855.1, 0.0031363/step, 0.275994 hours remaining, 239.968750 MB of memory in use. ENERGY: 4683200 3973.6835 20653.9307 14478.1953 237.0545 -203807.1965 2785.0806 0.0000 0.0000 52078.1973 -109601.0546 299.2941 -161679.2519 -109235.6177 299.8153 211.6159 233.5716 759001.6286 -12.2786 -12.2167 PRESSURE: 4683400 -185.767 -80.1431 -182.117 -80.1429 10.0687 65.4514 -182.117 65.4504 245.021 GPRESSURE: 4683400 -104.105 -27.8444 -176.067 -45.9431 24.0004 94.361 -282.331 52.5194 221.752 PRESSAVG: 4683400 114.334 -16.1641 -10.9959 -16.1641 -43.7546 -13.0056 -10.9959 -13.0055 -2.17109 GPRESSAVG: 4683400 113.288 -17.0212 -8.21795 -16.6757 -44.6081 -13.5529 -13.2299 -12.8274 -0.945754 TIMING: 4683400 CPU: 14855.7, 0.00314196/step Wall: 14855.7, 0.00314196/step, 0.276318 hours remaining, 239.968750 MB of memory in use. ENERGY: 4683400 4042.1516 20493.5546 14440.2013 246.4518 -203333.1582 2164.8207 0.0000 0.0000 52102.5069 -109843.4713 299.4338 -161945.9782 -109468.4267 299.4623 23.1078 47.2159 760508.4065 22.8028 22.5782 PRESSURE: 4683600 -327.562 -18.4999 17.2636 -18.5002 -393.141 -420.003 17.2637 -420.002 -478.597 GPRESSURE: 4683600 -349.807 -1.57019 48.1977 -14.1039 -335.561 -386.346 170.225 -321.753 -430 PRESSAVG: 4683600 11.1612 16.2362 -1.60362 16.2362 6.84223 23.9405 -1.60359 23.9406 2.06078 GPRESSAVG: 4683600 11.6787 16.6917 -1.93734 17.5792 8.0136 24.7949 2.40652 21.8202 0.190551 TIMING: 4683600 CPU: 14856.4, 0.00314025/step Wall: 14856.4, 0.00314025/step, 0.275993 hours remaining, 239.968750 MB of memory in use. ENERGY: 4683600 3934.7655 20466.7460 14402.3900 248.8604 -203224.8594 2321.5621 0.0000 0.0000 51816.8131 -110033.7223 297.7919 -161850.5354 -109672.2646 298.6481 -399.7665 -371.7891 763333.8696 6.6881 6.6276 PRESSURE: 4683800 -58.8022 -138.03 73.5137 -138.03 -337.086 42.8374 73.5134 42.8367 -45.4204 GPRESSURE: 4683800 -48.6745 -52.9007 165.578 -273.214 -209.402 16.1188 -49.9866 101.878 -85.4102 PRESSAVG: 4683800 -43.8881 -3.00881 28.0443 -3.00873 16.7716 -1.21753 28.0443 -1.21758 -2.19905 GPRESSAVG: 4683800 -44.4539 -3.61917 28.546 -3.4724 17.4298 -1.47487 24.6214 3.64357 -2.26758 TIMING: 4683800 CPU: 14857, 0.003134/step Wall: 14857, 0.003134/step, 0.27527 hours remaining, 239.968750 MB of memory in use. ENERGY: 4683800 3923.1163 20531.5283 14475.9974 256.3508 -203895.8492 2715.0576 0.0000 0.0000 51963.9794 -110029.8194 298.6377 -161993.7988 -109669.9314 298.3376 -147.1027 -114.4955 761360.6381 -9.7719 -9.7639 PRESSURE: 4684000 -64.5714 30.4053 -124.268 30.4046 380.122 150.576 -124.268 150.577 -46.7084 GPRESSURE: 4684000 78.9536 16.7859 -105.609 17.6661 293.831 184.352 -78.3552 129.533 -31.1179 PRESSAVG: 4684000 -73.3861 -23.7195 -1.59642 -23.7195 40.5154 22.062 -1.59647 22.062 9.75102 GPRESSAVG: 4684000 -73.8998 -25.2162 -1.72431 -23.0399 38.4563 21.854 -2.79152 19.3845 11.7935 TIMING: 4684000 CPU: 14857.6, 0.0031306/step Wall: 14857.6, 0.0031306/step, 0.274797 hours remaining, 239.968750 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: 4684000 3965.7858 20305.2746 14455.2895 263.7504 -203785.9561 2777.6385 0.0000 0.0000 51766.2472 -110251.9702 297.5013 -162018.2174 -109891.9003 298.1188 89.6140 113.8888 761909.1515 -7.7066 -7.8833 PRESSURE: 4684200 -43.5831 -180.668 -151.991 -180.667 -89.8461 85.5937 -151.991 85.5932 -345.508 GPRESSURE: 4684200 8.52423 -130.027 -141.449 -220.59 -140.651 89.6441 -193.172 8.22521 -260.398 PRESSAVG: 4684200 -5.01072 -32.333 -106.157 -32.333 17.9279 -20.9398 -106.157 -20.9398 -9.9772 GPRESSAVG: 4684200 -4.78685 -30.9809 -106.481 -31.8011 18.5069 -20.8889 -104.503 -23.112 -10.7573 TIMING: 4684200 CPU: 14858.2, 0.00314427/step Wall: 14858.2, 0.00314427/step, 0.275823 hours remaining, 239.968750 MB of memory in use. ENERGY: 4684200 4048.7450 20440.6321 14399.9506 239.7351 -203656.6690 2511.1625 0.0000 0.0000 51787.5698 -110228.8740 297.6239 -162016.4438 -109869.7853 298.2085 -159.6457 -130.8414 761254.3878 0.9800 0.9876 LDB: ============= START OF LOAD BALANCING ============== 14870.7 LDB: ============== END OF LOAD BALANCING =============== 14870.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14870.7 LDB: ============= START OF LOAD BALANCING ============== 14871 LDB: Largest compute 7068 load 0.033077 is 16.9% of average load 0.195523 LDB: Average compute 0.004362 is 2.2% of average load 0.195523 LDB: TIME 14871 LOAD: AVG 0.195523 MAX 0.21568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.02 MB LDB: TIME 14871 LOAD: AVG 0.195523 MAX 0.21568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.062 MB LDB: TIME 14871 LOAD: AVG 0.195523 MAX 0.21568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.062 MB LDB: ============== END OF LOAD BALANCING =============== 14871 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14871 PRESSURE: 4684400 -487.116 192.08 -227.12 192.079 -329.372 201.637 -227.12 201.637 -392.025 GPRESSURE: 4684400 -434.472 260.418 -230.792 166.01 -244.941 82.3323 -95.6074 135.41 -456.814 PRESSAVG: 4684400 27.96 35.9484 -12.3815 35.9484 -59.8347 -4.91275 -12.3816 -4.91269 9.16185 GPRESSAVG: 4684400 29.294 36.1615 -15.774 35.0085 -61.1333 -4.1051 -12.0865 -4.65233 9.69961 TIMING: 4684400 CPU: 14858.9, 0.00322784/step Wall: 14858.9, 0.00322784/step, 0.282974 hours remaining, 240.867188 MB of memory in use. ENERGY: 4684400 4061.7418 20569.9545 14360.6188 250.7144 -203484.7618 2136.5110 0.0000 0.0000 51916.0654 -110189.1559 298.3623 -162105.2214 -109822.9139 297.7811 -402.8375 -378.7423 760350.8414 -7.5709 -7.3799 PRESSURE: 4684600 -139.014 -89.1269 -186.241 -89.1265 -211.208 39.0018 -186.241 39.0005 -220.677 GPRESSURE: 4684600 -41.1185 -68.6036 -178.447 -138.947 -191.903 -11.8915 -130.85 21.9273 -262.721 PRESSAVG: 4684600 84.0745 12.3047 -31.4849 12.3047 -31.62 -47.3714 -31.4849 -47.3714 21.5707 GPRESSAVG: 4684600 83.6887 11.6532 -30.534 10.3732 -31.6838 -47.1792 -29.0602 -48.1227 20.8648 TIMING: 4684600 CPU: 14859.5, 0.00316245/step Wall: 14859.5, 0.00316245/step, 0.277066 hours remaining, 240.867188 MB of memory in use. ENERGY: 4684600 4014.1359 20488.4588 14508.1646 235.6263 -203991.2436 2690.0977 0.0000 0.0000 52051.0699 -110003.6903 299.1382 -162054.7603 -109641.3188 298.6489 -190.3001 -165.2475 760019.5137 24.6750 24.2899 PRESSURE: 4684800 -93.6472 -136.673 -18.722 -136.674 -104.008 -101.541 -18.7227 -101.54 -514.67 GPRESSURE: 4684800 -66.5462 -65.3339 -54.2312 -192.123 -52.7832 -77.5237 -19.485 -10.9693 -514.08 PRESSAVG: 4684800 31.7951 -7.12334 2.95108 -7.12328 -24.0632 -36.8647 2.95104 -36.8647 26.6216 GPRESSAVG: 4684800 31.1059 -5.60829 3.42271 -4.57293 -23.5224 -36.7896 2.38686 -36.4302 26.5284 TIMING: 4684800 CPU: 14860.1, 0.00316127/step Wall: 14860.1, 0.00316127/step, 0.276787 hours remaining, 240.867188 MB of memory in use. ENERGY: 4684800 4092.2339 20493.2708 14377.8178 247.0481 -203511.9393 2396.5090 0.0000 0.0000 51917.4249 -109987.6348 298.3702 -161905.0596 -109638.2227 298.5263 -237.4416 -211.1365 760339.6425 11.4511 11.3706 PRESSURE: 4685000 176.281 1.88227 37.0389 1.88234 85.3747 34.5973 37.0385 34.5972 -131.499 GPRESSURE: 4685000 222.142 -19.7312 106.39 -2.77241 111.162 -3.37297 -192.89 -40.4103 -127.775 PRESSAVG: 4685000 -2.23703 -19.4174 16.3844 -19.4174 -9.46618 -21.0518 16.3844 -21.0518 22.6428 GPRESSAVG: 4685000 -2.68463 -20.9266 16.5708 -18.5443 -9.14742 -20.4377 14.1139 -20.3256 22.1437 TIMING: 4685000 CPU: 14860.8, 0.00316127/step Wall: 14860.8, 0.00316127/step, 0.276611 hours remaining, 240.867188 MB of memory in use. ENERGY: 4685000 3970.7119 20543.0999 14454.8913 261.1096 -203601.8159 2532.8197 0.0000 0.0000 52142.1706 -109697.0128 299.6618 -161839.1834 -109327.0298 298.9057 43.3854 68.5097 760996.5008 3.6465 3.4372 PRESSURE: 4685200 55.4112 93.0772 -127.203 93.0772 -62.1144 42.2357 -127.204 42.2355 -148.322 GPRESSURE: 4685200 112.085 107.391 -125.112 41.7696 -18.494 78.4172 30.7208 68.6155 -175.651 PRESSAVG: 4685200 51.1778 -82.0565 3.74711 -82.0565 -10.3059 -10.9229 3.74713 -10.9229 -5.21801 GPRESSAVG: 4685200 51.4096 -81.8666 4.19507 -84.0338 -11.154 -12.1194 3.48149 -10.661 -4.44804 TIMING: 4685200 CPU: 14861.4, 0.00312735/step Wall: 14861.4, 0.00312735/step, 0.273469 hours remaining, 240.867188 MB of memory in use. ENERGY: 4685200 3997.4332 20782.1753 14401.3700 238.2422 -203690.4383 2631.1487 0.0000 0.0000 51812.0738 -109827.9951 297.7647 -161640.0689 -109466.8439 299.3464 -51.6750 -27.3533 762818.5173 11.8846 11.9359 PRESSURE: 4685400 16.7568 -40.4241 -299.123 -40.4243 -155.895 92.1235 -299.122 92.123 46.3619 GPRESSURE: 4685400 -23.7515 -9.50377 -251.954 1.35601 -128.579 -29.0898 -247.613 97.2298 149.653 PRESSAVG: 4685400 28.8836 -22.6954 -7.7129 -22.6953 -32.448 -7.01317 -7.71283 -7.01316 16.5715 GPRESSAVG: 4685400 28.6853 -22.2376 -7.20223 -22.7723 -32.7704 -6.50498 -6.03198 -10.4673 16.9035 TIMING: 4685400 CPU: 14862, 0.00312929/step Wall: 14862, 0.00312929/step, 0.273465 hours remaining, 240.867188 MB of memory in use. ENERGY: 4685400 3980.4517 20645.2332 14474.4691 241.2476 -203819.9242 2516.5131 0.0000 0.0000 51971.2331 -109990.7763 298.6794 -161962.0095 -109628.0943 298.8160 -30.9253 -0.8925 759023.1302 4.3357 4.2728 PRESSURE: 4685600 110.978 -184.757 255.773 -184.757 262.766 187.844 255.774 187.845 202.825 GPRESSURE: 4685600 317.556 -137.835 214.66 -114.765 219.028 248.638 189.157 177.986 121.913 PRESSAVG: 4685600 23.627 -13.6786 59.0885 -13.6785 -18.7034 27.9133 59.0884 27.9133 -8.231 GPRESSAVG: 4685600 23.8073 -12.8799 58.9081 -14.2677 -16.5746 27.3747 56.6509 30.4386 -9.76794 TIMING: 4685600 CPU: 14862.7, 0.0031218/step Wall: 14862.7, 0.0031218/step, 0.272637 hours remaining, 240.992188 MB of memory in use. ENERGY: 4685600 3944.6529 20695.6228 14401.5405 254.8881 -203859.7071 2746.7441 0.0000 0.0000 51984.4959 -109831.7627 298.7556 -161816.2586 -109474.3138 298.6331 192.1895 219.4991 759600.6179 -1.1025 -0.8451 PRESSURE: 4685800 -299.996 171.474 194.656 171.474 -413.848 80.8115 194.656 80.8125 -72.9 GPRESSURE: 4685800 -204.726 -53.3582 191.794 127.53 -370.235 30.4168 163.169 77.6109 -118.74 PRESSAVG: 4685800 -14.8282 -0.204002 63.4862 -0.203974 -12.8866 16.747 63.4863 16.747 -26.4419 GPRESSAVG: 4685800 -14.2613 -3.33671 64.0921 2.05848 -13.7769 17.1491 63.6416 17.0207 -25.9521 TIMING: 4685800 CPU: 14863.3, 0.00313061/step Wall: 14863.3, 0.00313061/step, 0.273233 hours remaining, 240.992188 MB of memory in use. ENERGY: 4685800 4008.6493 20561.6984 14440.0801 239.4987 -203259.6276 2308.6126 0.0000 0.0000 52004.8448 -109696.2438 298.8726 -161701.0887 -109332.7814 299.1459 -262.2479 -231.2337 759581.3216 -18.0523 -17.9968 PRESSURE: 4686000 -89.3372 216.119 32.859 216.12 -351.721 -235.31 32.8585 -235.309 360.146 GPRESSURE: 4686000 -28.2839 272.995 29.6289 40.3462 -334.569 -176.894 147.52 -56.0022 368.983 PRESSAVG: 4686000 -9.01382 -17.6975 -36.9269 -17.6976 -2.69195 -9.78247 -36.9269 -9.78243 2.6205 GPRESSAVG: 4686000 -8.25588 -16.7436 -38.0147 -20.2226 -2.75112 -9.84164 -35.0989 -8.1488 2.1491 TIMING: 4686000 CPU: 14863.9, 0.00312283/step Wall: 14863.9, 0.00312283/step, 0.27238 hours remaining, 240.992188 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: 4686000 4022.0483 20523.2164 14382.2959 245.6776 -203614.2984 2502.9029 0.0000 0.0000 52226.8603 -109711.2971 300.1485 -161938.1574 -109332.3492 299.7596 -26.9709 2.0433 761100.3012 -3.0284 -2.9526 PRESSURE: 4686200 -134.981 66.3332 56.9551 66.3325 -168.083 243.29 56.9556 243.29 185.436 GPRESSURE: 4686200 -119.963 21.7547 9.15012 71.9983 -130.366 262.34 17.7448 200.924 225.76 PRESSAVG: 4686200 -18.3698 -15.6112 -54.0907 -15.6113 35.058 27.9183 -54.0907 27.9182 10.3604 GPRESSAVG: 4686200 -19.2603 -14.482 -53.4058 -14.7425 35.8194 27.9517 -55.4872 29.3005 10.4906 TIMING: 4686200 CPU: 14864.5, 0.00313272/step Wall: 14864.5, 0.00313272/step, 0.273069 hours remaining, 240.992188 MB of memory in use. ENERGY: 4686200 4069.1982 20534.8380 14449.4226 236.2926 -202902.0093 2220.6358 0.0000 0.0000 51624.9702 -109766.6518 296.6894 -161391.6220 -109393.4443 299.3253 -39.2090 -8.1896 762352.1449 9.0162 9.0166 PRESSURE: 4686400 -137.85 81.823 -414.306 81.8227 2.32032 240.917 -414.306 240.918 -411.838 GPRESSURE: 4686400 -133.725 44.5685 -340.948 100.026 25.0624 217.567 -274.001 25.7958 -369.052 PRESSAVG: 4686400 47.3535 34.2317 -64.2699 34.2317 -60.4101 18.0746 -64.2699 18.0747 -0.742919 GPRESSAVG: 4686400 46.1303 36.5049 -64.1076 35.2133 -59.999 17.6526 -65.0625 14.0992 0.681565 TIMING: 4686400 CPU: 14865.2, 0.0031681/step Wall: 14865.2, 0.0031681/step, 0.275977 hours remaining, 240.992188 MB of memory in use. ENERGY: 4686400 4078.6479 20746.7604 14385.1180 245.4653 -203468.1785 2373.9095 0.0000 0.0000 52061.8546 -109576.4229 299.2002 -161638.2775 -109209.8559 299.2088 -182.4562 -159.2382 760698.7859 -4.5998 -4.3957 PRESSURE: 4686600 -249.041 125.563 -31.0502 125.563 -271.341 -135.982 -31.0501 -135.981 82.0905 GPRESSURE: 4686600 -233.847 140.108 67.7721 170.211 -171.799 -149.018 111.911 29.1985 36.9858 PRESSAVG: 4686600 50.0573 3.07928 -22.7698 3.07925 -37.6926 -6.97093 -22.7699 -6.9709 21.6061 GPRESSAVG: 4686600 53.2141 2.30151 -21.9381 1.91633 -39.1116 -7.60184 -20.5267 -3.99952 19.5543 TIMING: 4686600 CPU: 14865.8, 0.00315268/step Wall: 14865.8, 0.00315268/step, 0.274458 hours remaining, 240.992188 MB of memory in use. ENERGY: 4686600 4064.4869 20632.5419 14433.0562 266.6507 -203353.4222 2358.9514 0.0000 0.0000 52286.4808 -109311.2543 300.4911 -161597.7352 -108949.6512 299.7774 -146.0971 -122.8868 760971.2852 11.3236 11.2190 PRESSURE: 4686800 93.075 63.7383 -169.785 63.7381 -124.341 120.756 -169.784 120.755 131.69 GPRESSURE: 4686800 69.7034 29.5309 -199.179 27.3632 -14.1675 170.883 -189.295 -21.1831 108.945 PRESSAVG: 4686800 28.3416 -20.6847 -80.3646 -20.6847 -4.79132 20.7834 -80.3646 20.7835 -12.9435 GPRESSAVG: 4686800 26.6572 -22.6585 -81.7377 -18.7357 -3.38212 22.0795 -82.8676 19.3292 -12.5222 TIMING: 4686800 CPU: 14866.4, 0.0031422/step Wall: 14866.4, 0.0031422/step, 0.273372 hours remaining, 240.992188 MB of memory in use. ENERGY: 4686800 4013.4020 20702.9324 14516.1774 239.9291 -203569.7143 2666.8410 0.0000 0.0000 52218.8105 -109211.6219 300.1022 -161430.4324 -108838.7732 300.5587 33.4747 54.8270 762007.8492 3.5356 3.5843 PRESSURE: 4687000 -46.5062 80.3775 -142.016 80.3769 -229.386 -60.8464 -142.015 -60.8468 170.952 GPRESSURE: 4687000 -32.527 4.08635 -119.124 84.029 -104.516 22.1085 -104.53 -8.14585 125.861 PRESSAVG: 4687000 18.2887 -16.7465 -48.6252 -16.7466 -17.4813 39.523 -48.6251 39.523 2.07855 GPRESSAVG: 4687000 18.2502 -14.8483 -49.2459 -19.1986 -17.3165 39.872 -47.1004 39.3855 1.90348 TIMING: 4687000 CPU: 14867, 0.00313882/step Wall: 14867, 0.00313882/step, 0.272903 hours remaining, 240.992188 MB of memory in use. ENERGY: 4687000 4055.6044 20579.0899 14447.3781 254.6205 -203499.6844 2772.7866 0.0000 0.0000 52182.0395 -109208.1655 299.8909 -161390.2049 -108839.6476 300.1311 -34.9802 -3.7273 760958.6147 0.9620 0.9457 PRESSURE: 4687200 27.7934 18.4597 44.2803 18.4593 -114.635 34.7803 44.2804 34.7808 276.84 GPRESSURE: 4687200 139.73 -87.644 65.0837 15.6455 -113.685 -2.71464 -59.8793 174.754 266.492 PRESSAVG: 4687200 53.6459 13.3354 5.712 13.3354 -76.1109 22.8584 5.71202 22.8584 -6.44883 GPRESSAVG: 4687200 53.6872 11.9258 8.49014 13.5197 -76.726 22.7496 4.30703 22.303 -5.74338 TIMING: 4687200 CPU: 14867.7, 0.00316239/step Wall: 14867.7, 0.00316239/step, 0.274776 hours remaining, 240.992188 MB of memory in use. ENERGY: 4687200 3938.6676 20575.4625 14412.2031 251.2971 -203735.6210 2737.1083 0.0000 0.0000 52442.5612 -109378.3212 301.3881 -161820.8824 -109016.2126 300.0006 63.3327 97.5122 759902.8544 -9.6379 -9.5941 PRESSURE: 4687400 162.739 10.6216 -15.4809 10.6217 431.233 69.2518 -15.4803 69.2512 -21.7163 GPRESSURE: 4687400 151.925 29.544 -20.8322 -23.2608 438.655 94.0149 -95.1116 -44.675 82.2927 PRESSAVG: 4687400 12.4344 -25.1663 -34.0627 -25.1662 -20.8801 23.7527 -34.0627 23.7527 -15.0933 GPRESSAVG: 4687400 12.4858 -24.7549 -36.5275 -25.9166 -20.715 22.074 -33.7503 25.2424 -15.5142 TIMING: 4687400 CPU: 14868.3, 0.00314086/step Wall: 14868.3, 0.00314086/step, 0.272732 hours remaining, 240.992188 MB of memory in use. ENERGY: 4687400 3908.8959 20574.5213 14434.8165 238.7473 -203991.0066 2933.8052 0.0000 0.0000 52493.1619 -109407.0584 301.6789 -161900.2204 -109039.7308 299.9661 190.7520 224.2910 759534.4984 -7.8463 -7.9145 PRESSURE: 4687600 -44.9341 -6.37042 -114.996 -6.37055 -86.1351 -270.9 -114.995 -270.901 78.1397 GPRESSURE: 4687600 -59.7321 -15.6935 -72.7519 -67.2374 -114.492 -120.707 -37.2173 -253.699 181.62 PRESSAVG: 4687600 5.29826 -66.1267 -40.5016 -66.1267 37.4037 -63.5511 -40.5016 -63.551 32.1088 GPRESSAVG: 4687600 5.00244 -66.8573 -39.6558 -63.7413 37.0944 -62.2226 -39.8224 -63.4161 32.7124 TIMING: 4687600 CPU: 14868.9, 0.00312685/step Wall: 14868.9, 0.00312685/step, 0.271341 hours remaining, 240.992188 MB of memory in use. ENERGY: 4687600 3948.8626 20641.4979 14348.6588 234.7475 -203013.4919 2284.0730 0.0000 0.0000 52072.3557 -109483.2964 299.2605 -161555.6521 -109121.6345 299.8007 -17.6432 2.4654 760430.1763 24.9369 24.9364 PRESSURE: 4687800 -228.111 124.743 -219.384 124.744 -128.406 -51.432 -219.384 -51.4329 -21.5479 GPRESSURE: 4687800 -152.093 87.5289 -160.536 120.564 -166.323 -86.0005 -234.171 -167.221 30.0842 PRESSAVG: 4687800 3.15811 -39.8246 -5.51559 -39.8246 7.95207 -66.4579 -5.51565 -66.4579 -13.7666 GPRESSAVG: 4687800 2.83943 -39.8131 -6.50092 -39.5371 8.22338 -65.6016 -4.01954 -68.3672 -13.7773 TIMING: 4687800 CPU: 14869.6, 0.00312587/step Wall: 14869.6, 0.00312587/step, 0.271082 hours remaining, 240.992188 MB of memory in use. ENERGY: 4687800 3952.7731 20637.2767 14491.2330 237.3592 -203363.0740 2549.9291 0.0000 0.0000 52010.0671 -109484.4358 298.9026 -161494.5029 -109118.4699 299.4652 -126.0217 -96.1105 761402.3547 -0.8855 -0.9048 PRESSURE: 4688000 279.554 94.5623 -28.1643 94.5623 555.309 -200.263 -28.1645 -200.265 490.424 GPRESSURE: 4688000 437.165 -17.5357 -107.843 80.0939 474.723 -260.559 -70.0872 -206.274 505.884 PRESSAVG: 4688000 20.6412 -37.7996 -39.6787 -37.7997 -39.3409 -32.2076 -39.6787 -32.2077 12.9837 GPRESSAVG: 4688000 20.8594 -36.2631 -39.6516 -37.6734 -39.8833 -33.6843 -39.8355 -28.7189 13.0672 TIMING: 4688000 CPU: 14870.2, 0.00312707/step Wall: 14870.2, 0.00312707/step, 0.271013 hours remaining, 240.992188 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: 4688000 3986.6726 20585.6035 14453.5894 231.2877 -203735.8830 2764.7968 0.0000 0.0000 52089.5446 -109624.3885 299.3593 -161713.9331 -109269.5531 299.3320 441.7624 472.5906 758594.8470 -1.9053 -1.9856 PRESSURE: 4688200 88.8601 62.4009 -199.777 62.3995 73.04 252.99 -199.777 252.991 -391.775 GPRESSURE: 4688200 25.0556 -32.4591 -162.708 62.3406 132.172 199.052 -180.86 327.085 -305.321 PRESSAVG: 4688200 68.9654 -0.30969 -16.97 -0.309723 -58.6349 64.7379 -16.9701 64.7379 -10.5106 GPRESSAVG: 4688200 69.3172 -0.701841 -15.169 -2.88947 -58.4285 64.7293 -19.1694 63.5051 -10.9779 TIMING: 4688200 CPU: 14870.8, 0.00312106/step Wall: 14870.8, 0.00312106/step, 0.270319 hours remaining, 240.992188 MB of memory in use. ENERGY: 4688200 4009.1235 20619.8513 14436.4444 242.3937 -203818.9761 2765.5318 0.0000 0.0000 52054.4210 -109691.2104 299.1575 -161745.6315 -109330.7237 299.1955 -76.6248 -49.3642 760657.2792 -0.0600 -0.0297 LDB: ============= START OF LOAD BALANCING ============== 14883.3 LDB: ============== END OF LOAD BALANCING =============== 14883.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14883.3 LDB: ============= START OF LOAD BALANCING ============== 14883.6 LDB: Largest compute 7078 load 0.034553 is 17.7% of average load 0.195603 LDB: Average compute 0.004375 is 2.2% of average load 0.195603 LDB: TIME 14883.6 LOAD: AVG 0.195603 MAX 0.213716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.676 MB LDB: TIME 14883.6 LOAD: AVG 0.195603 MAX 0.213716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: TIME 14883.6 LOAD: AVG 0.195603 MAX 0.213716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.676 MB LDB: ============== END OF LOAD BALANCING =============== 14883.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14883.6 PRESSURE: 4688400 -213.98 -211.76 221.99 -211.761 -315.094 292.078 221.991 292.077 -276.639 GPRESSURE: 4688400 -235.707 -86.3635 266.375 -175.78 -281.659 202.065 173.072 169.526 -195.407 PRESSAVG: 4688400 26.374 -42.5894 -13.9994 -42.5893 -7.82639 20.192 -13.9995 20.192 5.19422 GPRESSAVG: 4688400 25.8657 -42.2129 -15.196 -42.1481 -6.66395 21.5487 -12.3147 18.9638 4.23796 TIMING: 4688400 CPU: 14871.5, 0.00320145/step Wall: 14871.5, 0.00320145/step, 0.277103 hours remaining, 241.445312 MB of memory in use. ENERGY: 4688400 3987.9461 20524.8658 14456.2108 242.9578 -203573.1929 2544.4222 0.0000 0.0000 52052.6195 -109764.1707 299.1471 -161816.7902 -109401.2629 299.1186 -268.5709 -237.5914 760067.1457 7.9139 7.8132 PRESSURE: 4688600 241.437 -69.3193 118.762 -69.3188 -29.0005 -78.9009 118.762 -78.9022 82.871 GPRESSURE: 4688600 291.629 -37.3814 162.159 -49.7082 -27.4004 -60.2468 48.3547 -19.926 112.158 PRESSAVG: 4688600 51.779 -58.219 38.0101 -58.219 -2.20405 22.0458 38.01 22.0458 -0.875378 GPRESSAVG: 4688600 53.1587 -59.5762 39.0535 -57.498 -4.30991 21.699 39.1549 22.1213 0.17677 TIMING: 4688600 CPU: 14872.1, 0.0031446/step Wall: 14872.1, 0.0031446/step, 0.272008 hours remaining, 241.648438 MB of memory in use. ENERGY: 4688600 4000.2885 20462.6581 14540.2905 257.8782 -203365.7557 2376.7177 0.0000 0.0000 51859.3678 -109868.5550 298.0365 -161727.9228 -109507.4535 298.5125 98.4358 125.4621 760436.0993 16.2332 16.3418 PRESSURE: 4688800 125.989 -5.38946 74.5436 -5.38914 151.05 -25.325 74.5439 -25.3248 -122.978 GPRESSURE: 4688800 188.214 -22.2129 53.855 31.0235 177.11 12.8448 167.094 2.98243 -112.939 PRESSAVG: 4688800 12.6327 -20.2642 6.29307 -20.2641 -12.3095 55.8039 6.29305 55.8039 -14.9698 GPRESSAVG: 4688800 12.6568 -21.1096 4.3187 -19.0026 -11.8632 54.8424 5.83391 58.1653 -14.9788 TIMING: 4688800 CPU: 14872.7, 0.00312625/step Wall: 14872.7, 0.00312625/step, 0.270247 hours remaining, 241.648438 MB of memory in use. ENERGY: 4688800 3974.4745 20421.9593 14558.0993 236.6584 -203478.7601 2439.2566 0.0000 0.0000 51907.1826 -109941.1295 298.3113 -161848.3120 -109573.6294 298.5034 51.3534 84.1284 760794.6273 -4.8822 -4.7284 PRESSURE: 4689000 26.6722 -73.1892 -147.331 -73.1884 23.7237 -235.202 -147.33 -235.202 -213.436 GPRESSURE: 4689000 39.4159 -57.2257 -251.238 -27.3806 151.806 -257.827 -82.31 -331.828 -273.706 PRESSAVG: 4689000 49.1337 -52.0464 -45.8893 -52.0463 -14.2367 -69.3818 -45.8893 -69.3819 12.6163 GPRESSAVG: 4689000 47.4626 -49.7841 -45.9568 -54.2084 -12.1435 -68.0007 -45.7218 -70.9674 12.3517 TIMING: 4689000 CPU: 14873.3, 0.00313264/step Wall: 14873.3, 0.00313264/step, 0.270625 hours remaining, 241.648438 MB of memory in use. ENERGY: 4689000 3916.5306 20625.4423 14557.5569 245.4323 -203427.9442 2553.6979 0.0000 0.0000 51676.8871 -109852.3971 296.9878 -161529.2842 -109500.7790 298.9265 -54.3468 -27.4946 761229.4619 15.8378 15.8903 PRESSURE: 4689200 -11.5911 -229.161 -96.9923 -229.161 -296.49 28.5329 -96.9915 28.5327 144.673 GPRESSURE: 4689200 61.5939 -265.053 -60.5333 -77.7722 -284.818 -39.0003 -142.226 -5.84352 143.334 PRESSAVG: 4689200 12.2837 -23.288 -20.3022 -23.2879 -31.001 -30.3542 -20.3022 -30.3541 23.2718 GPRESSAVG: 4689200 12.8455 -25.8154 -20.0081 -20.298 -31.6535 -30.5203 -22.2928 -31.0095 23.0383 TIMING: 4689200 CPU: 14874, 0.00313455/step Wall: 14874, 0.00313455/step, 0.270616 hours remaining, 241.648438 MB of memory in use. ENERGY: 4689200 3975.3342 20559.1207 14495.2496 259.2137 -203671.0826 2367.3601 0.0000 0.0000 52088.1165 -109926.6878 299.3511 -162014.8043 -109572.1682 298.9431 -54.4692 -26.6302 760281.7049 1.5182 1.4101 PRESSURE: 4689400 -287.286 17.5008 13.5076 17.5007 -288.538 -106.331 13.5079 -106.33 -191.702 GPRESSURE: 4689400 -236.597 -0.586527 36.8132 -15.4241 -261.497 -75.4377 105.827 -72.7256 -200.868 PRESSAVG: 4689400 41.7309 -22.3878 19.9425 -22.3878 -33.4898 -16.9238 19.9425 -16.9238 -2.09312 GPRESSAVG: 4689400 41.0583 -20.0021 20.3799 -25.7821 -34.8371 -18.4395 22.83 -16.466 -0.638395 TIMING: 4689400 CPU: 14874.6, 0.00312962/step Wall: 14874.6, 0.00312962/step, 0.270016 hours remaining, 241.648438 MB of memory in use. ENERGY: 4689400 3959.2530 20530.2494 14442.1960 242.3334 -203579.2534 2447.8564 0.0000 0.0000 52275.3589 -109682.0062 300.4272 -161957.3652 -109321.7537 298.9936 -255.8419 -232.9875 762176.4403 2.0493 1.8610 PRESSURE: 4689600 -245.133 -124.762 -27.5112 -124.761 -99.5176 206.718 -27.511 206.718 104.29 GPRESSURE: 4689600 -229.645 -150.813 -60.5577 -134.447 -12.1519 140.459 -140.06 176.547 70.8644 PRESSAVG: 4689600 -20.0971 -45.8377 -9.22569 -45.8377 4.54158 -35.9584 -9.22571 -35.9585 6.88263 GPRESSAVG: 4689600 -18.9894 -45.0945 -9.85257 -46.1554 5.04278 -35.7822 -11.9376 -36.1822 6.35435 TIMING: 4689600 CPU: 14875.2, 0.00314438/step Wall: 14875.2, 0.00314438/step, 0.271115 hours remaining, 241.648438 MB of memory in use. ENERGY: 4689600 3903.7277 20662.4406 14492.9889 237.5947 -203615.9278 2598.9085 0.0000 0.0000 52083.0965 -109637.1708 299.3223 -161720.2673 -109273.4238 299.2011 -80.1203 -56.9775 762500.7377 -2.8910 -2.5307 PRESSURE: 4689800 35.9313 63.4391 -157.388 63.4392 156.09 -35.1897 -157.388 -35.1898 -228.704 GPRESSURE: 4689800 31.9328 85.8988 -118.788 131.702 161.014 -55.1856 -87.4398 -35.0489 -154.044 PRESSAVG: 4689800 21.1361 -33.1187 27.4704 -33.1188 6.84994 -41.5137 27.4705 -41.5136 7.04962 GPRESSAVG: 4689800 21.1304 -36.1095 27.9996 -30.2914 6.56996 -40.7415 27.2082 -40.5058 7.08964 TIMING: 4689800 CPU: 14875.8, 0.00314173/step Wall: 14875.8, 0.00314173/step, 0.270712 hours remaining, 241.648438 MB of memory in use. ENERGY: 4689800 4028.7402 20606.0226 14467.3991 258.2037 -203751.9844 2945.0207 0.0000 0.0000 52057.0118 -109389.5862 299.1724 -161446.5980 -109021.4660 299.5832 -12.2277 12.9675 762542.6109 11.6786 11.5967 PRESSURE: 4690000 -470.202 -180.088 48.0423 -180.087 -154.222 -200.191 48.0425 -200.191 -484.237 GPRESSURE: 4690000 -426.729 -132.771 74.3618 -105.6 -99.0252 -147.959 -2.84125 -239.176 -508.409 PRESSAVG: 4690000 20.8349 -57.8438 -52.0994 -57.8438 -15.192 -49.2634 -52.0994 -49.2634 -7.94981 GPRESSAVG: 4690000 21.9165 -58.7515 -52.6215 -58.0528 -16.4384 -49.3967 -51.593 -50.6982 -7.53501 TIMING: 4690000 CPU: 14876.5, 0.00314093/step Wall: 14876.5, 0.00314093/step, 0.270469 hours remaining, 241.648438 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: 4690000 4023.5607 20609.4907 14455.3939 229.1466 -203158.0574 2340.9963 0.0000 0.0000 52180.3944 -109319.0748 299.8814 -161499.4693 -108954.8047 300.0077 -369.5535 -344.7211 762998.1088 -0.7690 -0.6856 PRESSURE: 4690200 54.8617 29.3813 143.141 29.3804 -152.495 83.7931 143.141 83.7947 -206.808 GPRESSURE: 4690200 3.68914 88.8969 151.891 -218.615 -155.592 61.6937 134.998 165.189 -56.3472 PRESSAVG: 4690200 -22.392 -2.16354 -0.684643 -2.16349 -24.529 -30.025 -0.684637 -30.025 19.1255 GPRESSAVG: 4690200 -23.3124 0.0528864 0.725782 -2.94833 -22.623 -28.4117 -1.40106 -29.1761 18.3363 TIMING: 4690200 CPU: 14877.1, 0.00312676/step Wall: 14877.1, 0.00312676/step, 0.269075 hours remaining, 241.648438 MB of memory in use. ENERGY: 4690200 3975.7986 20661.8125 14501.9278 254.7891 -203120.3224 2497.2426 0.0000 0.0000 51911.5285 -109317.2233 298.3363 -161228.7517 -108954.3220 300.3508 -101.4805 -69.4167 761500.2459 -9.2652 -9.1997 PRESSURE: 4690400 179.983 -149.432 7.26839 -149.432 2.89527 135.283 7.26795 135.283 62.0078 GPRESSURE: 4690400 162.613 -127.758 -65.8652 -151.078 59.9283 113.534 -52.548 100.634 101.969 PRESSAVG: 4690400 52.0928 -10.0741 2.74181 -10.0741 -73.0729 -43.1534 2.74191 -43.1534 22.8028 GPRESSAVG: 4690400 52.0259 -11.9767 2.44923 -10.5366 -72.7259 -45.9111 2.27102 -43.2605 22.7766 TIMING: 4690400 CPU: 14877.7, 0.00312598/step Wall: 14877.7, 0.00312598/step, 0.268835 hours remaining, 241.648438 MB of memory in use. ENERGY: 4690400 3959.3798 20467.0068 14449.7327 250.2827 -203365.5368 2610.7762 0.0000 0.0000 52227.3071 -109401.0515 300.1511 -161628.3586 -109033.6578 300.0554 81.6287 108.1703 760918.2773 0.6076 0.6922 PRESSURE: 4690600 97.692 -179.452 -103.123 -179.452 69.4266 4.55834 -103.123 4.5577 19.3347 GPRESSURE: 4690600 163.135 -92.8157 -60.2399 -147.729 105.987 16.5995 -126.45 -47.2352 -15.4463 PRESSAVG: 4690600 69.5717 -35.3286 -47.5452 -35.3286 -5.89636 -38.3395 -47.5452 -38.3395 3.27344 GPRESSAVG: 4690600 70.3838 -32.803 -47.5901 -36.695 -7.08265 -37.9265 -46.3721 -35.4129 3.42036 TIMING: 4690600 CPU: 14878.3, 0.00311783/step Wall: 14878.3, 0.00311783/step, 0.26796 hours remaining, 241.648438 MB of memory in use. ENERGY: 4690600 3944.8097 20480.5625 14447.4503 270.4523 -203312.6718 2645.8147 0.0000 0.0000 52281.9590 -109241.6233 300.4651 -161523.5824 -108872.8078 300.0648 62.1511 84.5586 760833.7050 22.3162 22.2405 PRESSURE: 4690800 -519.522 -105.491 -126.303 -105.49 -388.114 -7.60517 -126.302 -7.60532 -183.846 GPRESSURE: 4690800 -563.928 14.2321 -162.895 -68.4701 -304.085 -20.7875 -71.6237 -108.648 -147.504 PRESSAVG: 4690800 -7.02937 -34.5346 -9.97731 -34.5346 -9.93344 -33.5644 -9.97731 -33.5643 5.8242 GPRESSAVG: 4690800 -8.41513 -34.2513 -10.033 -35.3005 -8.69253 -32.9043 -9.05162 -37.7621 6.13782 TIMING: 4690800 CPU: 14879, 0.00313105/step Wall: 14879, 0.00313105/step, 0.268922 hours remaining, 241.648438 MB of memory in use. ENERGY: 4690800 3966.2400 20661.4426 14417.7196 250.5151 -202805.8586 2206.4650 0.0000 0.0000 52040.6116 -109262.8647 299.0781 -161303.4763 -108892.1301 299.8553 -363.8273 -338.5059 761647.6384 -3.7129 -3.6566 PRESSURE: 4691000 25.7075 -183.6 -9.27284 -183.601 -109.808 147.686 -9.27274 147.687 158.042 GPRESSURE: 4691000 151.808 -191.839 32.0933 -177.084 -98.0312 238.481 -0.271781 122.476 92.9939 PRESSAVG: 4691000 49.2019 -47.8591 -6.23323 -47.8591 -74.7109 -8.13063 -6.23321 -8.13067 -3.46636 GPRESSAVG: 4691000 50.3576 -47.4695 -5.62202 -46.9872 -74.6018 -7.98536 -7.65007 -6.584 -4.51267 TIMING: 4691000 CPU: 14879.6, 0.00312316/step Wall: 14879.6, 0.00312316/step, 0.268071 hours remaining, 241.648438 MB of memory in use. ENERGY: 4691000 3974.6151 20615.4917 14536.6362 246.1346 -203373.4582 2638.6698 0.0000 0.0000 52288.8716 -109073.0392 300.5049 -161361.9109 -108715.9285 300.1113 24.6471 48.9235 759773.0414 -9.6584 -9.5856 PRESSURE: 4691200 130.403 206.094 204.21 206.095 -105.245 -133.122 204.209 -133.122 -500.289 GPRESSURE: 4691200 133.772 180.229 151.185 222.184 -143.488 -137.657 56.6092 -112.377 -381.497 PRESSAVG: 4691200 -28.1306 17.0182 54.7192 17.0182 -9.72635 8.50833 54.7192 8.50841 10.7761 GPRESSAVG: 4691200 -28.1026 16.9294 53.45 18.4756 -10.1385 7.99634 56.3976 6.58401 11.1684 TIMING: 4691200 CPU: 14880.2, 0.00311538/step Wall: 14880.2, 0.00311538/step, 0.26723 hours remaining, 241.648438 MB of memory in use. ENERGY: 4691200 4021.5847 20577.4286 14487.4877 251.7267 -203381.9745 2664.1707 0.0000 0.0000 52183.0210 -109196.5550 299.8965 -161379.5761 -108827.4486 300.7294 -158.3771 -130.4042 761898.7065 -9.0269 -9.0242 PRESSURE: 4691400 27.6884 -133.973 177.237 -133.972 159.951 -247.21 177.237 -247.209 274.252 GPRESSURE: 4691400 70.2499 -51.6908 232.297 -243.378 180.975 -309.49 78.7975 -169.085 293.311 PRESSAVG: 4691400 21.0459 -18.9577 -1.95076 -18.9576 -26.4002 -49.7089 -1.95078 -49.7089 -1.01783 GPRESSAVG: 4691400 20.5974 -19.9709 -0.776793 -20.0824 -26.6414 -49.1714 -4.91585 -47.9193 -0.818819 TIMING: 4691400 CPU: 14880.8, 0.00313575/step Wall: 14880.8, 0.00313575/step, 0.268804 hours remaining, 241.648438 MB of memory in use. ENERGY: 4691400 4076.9623 20564.1276 14529.5560 237.8423 -203540.2163 2785.8781 0.0000 0.0000 52245.3775 -109100.4724 300.2549 -161345.8499 -108739.6337 300.4757 153.9636 181.5120 761055.6895 -2.1240 -2.2876 PRESSURE: 4691600 -57.6011 71.9009 -1.51459 71.9005 217.641 182.295 -1.5133 182.295 337.927 GPRESSURE: 4691600 -9.44193 82.6544 -14.7854 138.654 247.69 124.797 -7.65142 96.34 358.081 PRESSAVG: 4691600 -30.3344 -11.0245 -23.6705 -11.0246 19.1326 -23.2894 -23.6705 -23.2893 -10.5196 GPRESSAVG: 4691600 -30.8178 -11.5407 -24.3026 -12.0659 20.3163 -23.4284 -22.4189 -21.8182 -11.0932 TIMING: 4691600 CPU: 14881.5, 0.00312403/step Wall: 14881.5, 0.00312403/step, 0.267625 hours remaining, 241.648438 MB of memory in use. ENERGY: 4691600 4010.8751 20694.2312 14431.4111 227.0892 -203793.0618 2883.4293 0.0000 0.0000 52361.0130 -109185.0130 300.9195 -161546.0260 -108826.6757 300.6052 165.9888 198.7762 759395.0081 -7.2405 -7.1982 PRESSURE: 4691800 -140.51 24.694 -88.6576 24.694 36.9639 45.0543 -88.6581 45.0542 -72.4006 GPRESSURE: 4691800 -101.231 5.29734 19.1266 64.0359 2.39002 3.34555 -154.715 12.4271 17.9649 PRESSAVG: 4691800 31.5529 -47.9672 11.1372 -47.9671 3.722 -9.96526 11.1371 -9.96518 5.99472 GPRESSAVG: 4691800 31.1352 -48.937 13.8262 -45.4967 2.56044 -9.17489 12.3477 -11.2709 7.20373 TIMING: 4691800 CPU: 14882.1, 0.0031219/step Wall: 14882.1, 0.0031219/step, 0.267269 hours remaining, 241.648438 MB of memory in use. ENERGY: 4691800 4019.7305 20395.7825 14468.9556 258.9206 -203368.1903 2611.4934 0.0000 0.0000 52458.3628 -109154.9450 301.4789 -161613.3077 -108788.4091 300.1080 -58.6491 -26.9586 760037.8470 13.7565 13.6331 PRESSURE: 4692000 -119.825 37.1861 -18.6896 37.186 -499.608 66.5437 -18.6893 66.5438 -210.874 GPRESSURE: 4692000 -162.106 -68.3296 -110.698 -52.7707 -424.393 13.9045 58.4115 15.8538 -164.142 PRESSAVG: 4692000 9.32984 -42.2749 6.98846 -42.2749 -3.24785 -11.7483 6.98848 -11.7483 -17.1546 GPRESSAVG: 4692000 9.98852 -41.5165 4.49331 -43.9076 -3.22612 -12.952 4.58181 -13.2907 -17.4196 TIMING: 4692000 CPU: 14882.7, 0.00312324/step Wall: 14882.7, 0.00312324/step, 0.26721 hours remaining, 241.648438 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: 4692000 3966.6725 20591.5665 14520.2253 257.4545 -202813.7730 2197.4184 0.0000 0.0000 51946.2481 -109334.1876 298.5358 -161280.4357 -108975.5373 299.9531 -276.7689 -250.2136 761941.0917 -3.6909 -3.5524 PRESSURE: 4692200 -43.529 52.1495 -5.82251 52.1502 13.2501 50.0993 -5.8237 50.1005 -224.67 GPRESSURE: 4692200 25.848 23.3083 58.1621 73.7281 -27.4737 11.4777 62.3566 18.1244 -170.36 PRESSAVG: 4692200 95.7525 -25.3295 -0.575614 -25.3294 -121.888 67.5662 -0.575661 67.5663 11.9008 GPRESSAVG: 4692200 95.1301 -26.1713 -1.49631 -24.2274 -121.753 69.9468 1.20814 67.1724 12.3132 TIMING: 4692200 CPU: 14883.3, 0.00313463/step Wall: 14883.3, 0.00313463/step, 0.268011 hours remaining, 241.648438 MB of memory in use. ENERGY: 4692200 3982.7111 20674.1024 14461.8722 250.0141 -203445.4790 2608.3015 0.0000 0.0000 51952.8655 -109515.6121 298.5738 -161468.4777 -109156.0669 299.3337 -84.9828 -57.3284 762149.8596 -4.7451 -4.7700 LDB: ============= START OF LOAD BALANCING ============== 14895.8 LDB: ============== END OF LOAD BALANCING =============== 14895.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14895.8 LDB: ============= START OF LOAD BALANCING ============== 14896.1 LDB: Largest compute 7077 load 0.034713 is 17.8% of average load 0.195530 LDB: Average compute 0.004371 is 2.2% of average load 0.195530 LDB: TIME 14896.1 LOAD: AVG 0.19553 MAX 0.214507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.324 MB LDB: TIME 14896.1 LOAD: AVG 0.19553 MAX 0.214507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: TIME 14896.1 LOAD: AVG 0.19553 MAX 0.214507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.324 MB LDB: ============== END OF LOAD BALANCING =============== 14896.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14896.1 Info: useSync: 0 useProxySync: 0 PRESSURE: 4692400 207.255 -174.954 66.2578 -174.955 168.736 -52.962 66.2583 -52.9626 422.675 GPRESSURE: 4692400 230.181 -62.9571 48.9733 -185.375 154.27 -45.0322 99.9533 -57.5945 494.753 PRESSAVG: 4692400 56.1775 -23.9771 6.41312 -23.9771 -58.2461 -9.2443 6.4131 -9.24432 5.14968 GPRESSAVG: 4692400 55.829 -23.6033 6.44299 -23.5683 -58.3694 -11.8955 8.42552 -6.47561 5.02172 TIMING: 4692400 CPU: 14884, 0.00319555/step Wall: 14884, 0.00319555/step, 0.273042 hours remaining, 240.097656 MB of memory in use. ENERGY: 4692400 3968.4816 20604.2401 14495.3191 234.4394 -203410.9774 2667.6898 0.0000 0.0000 51861.1397 -109579.6678 298.0467 -161440.8074 -109234.8147 299.2699 266.2223 293.0681 760411.8745 1.0270 0.8271 PRESSURE: 4692600 -55.3223 -197.341 -337.88 -197.341 89.4729 -68.4353 -337.88 -68.4341 -96.5392 GPRESSURE: 4692600 -66.9091 -233.197 -438.727 -94.9959 87.6763 -48.4393 -156.246 -130.133 -13.5112 PRESSAVG: 4692600 -24.4184 33.1961 6.87381 33.1961 -0.0682256 32.5657 6.87371 32.5657 4.78978 GPRESSAVG: 4692600 -24.3511 33.4026 7.1658 32.741 -0.732735 32.5585 5.04531 33.064 4.91879 TIMING: 4692600 CPU: 14884.6, 0.00311663/step Wall: 14884.6, 0.00311663/step, 0.266126 hours remaining, 240.097656 MB of memory in use. ENERGY: 4692600 3972.0900 20659.8495 14445.3057 241.8059 -203331.6759 2437.6776 0.0000 0.0000 52277.5869 -109297.3602 300.4400 -161574.9471 -108933.6010 299.8122 -20.7962 2.4187 761695.6295 -6.5656 -6.7217 PRESSURE: 4692800 83.6452 -106.976 78.7275 -106.976 30.4794 91.3918 78.7276 91.3914 -116.792 GPRESSURE: 4692800 120.185 -60.2749 96.6485 -127.198 54.9073 111.132 59.3591 71.718 -83.2286 PRESSAVG: 4692800 30.0844 -43.7546 -39.6095 -43.7546 -22.132 -6.74451 -39.6095 -6.74454 12.5358 GPRESSAVG: 4692800 31.2369 -42.0589 -41.0603 -43.4972 -22.4052 -5.89984 -38.5815 -8.8792 11.3264 TIMING: 4692800 CPU: 14885.2, 0.00311647/step Wall: 14885.2, 0.00311647/step, 0.265939 hours remaining, 240.097656 MB of memory in use. ENERGY: 4692800 3886.0407 20483.7743 14420.5972 227.3965 -203354.6307 2543.3113 0.0000 0.0000 52330.8340 -109462.6767 300.7460 -161793.5107 -109095.4594 300.1634 -0.8892 30.6212 760916.4488 6.8294 6.7194 PRESSURE: 4693000 -212.27 -29.486 -83.4901 -29.486 -63.2712 -203.013 -83.4897 -203.014 79.0614 GPRESSURE: 4693000 -278.398 28.6567 -108.555 -28.5351 141.971 -238.277 34.5429 -140.471 52.6912 PRESSAVG: 4693000 25.1564 -39.2732 9.04641 -39.2732 21.6995 5.46744 9.04633 5.46744 -5.37855 GPRESSAVG: 4693000 23.5812 -40.6695 11.0214 -39.399 22.2052 5.51118 9.84221 6.4435 -4.90089 TIMING: 4693000 CPU: 14885.9, 0.003118/step Wall: 14885.9, 0.003118/step, 0.265896 hours remaining, 240.097656 MB of memory in use. ENERGY: 4693000 4025.9400 20522.8165 14461.3771 245.9005 -203133.8735 2363.0428 0.0000 0.0000 52123.0885 -109391.7081 299.5521 -161514.7965 -109031.2032 299.7956 -65.4933 -27.9120 760155.1476 13.8258 13.6285 PRESSURE: 4693200 -188.74 -258.596 132.42 -258.595 -260.425 -36.1039 132.419 -36.1029 89.9593 GPRESSURE: 4693200 -181.581 -154.872 81.0908 -159.136 -227.321 -37.5537 197.196 -18.5761 137.008 PRESSAVG: 4693200 64.4241 5.89782 0.601207 5.89786 -0.0247939 5.40317 0.60113 5.40325 17.6164 GPRESSAVG: 4693200 64.9139 5.82263 0.820543 7.92618 0.135632 7.71003 0.46301 5.00057 17.1821 TIMING: 4693200 CPU: 14886.5, 0.00312822/step Wall: 14886.5, 0.00312822/step, 0.266594 hours remaining, 240.097656 MB of memory in use. ENERGY: 4693200 4030.7546 20696.8131 14398.5098 253.3689 -203231.0709 2405.3391 0.0000 0.0000 52041.5213 -109404.7641 299.0833 -161446.2854 -109044.9394 299.6156 -119.7352 -90.6313 760009.8818 27.3386 27.4106 PRESSURE: 4693400 -236.801 -31.1121 -137.865 -31.1116 -104.12 -162.132 -137.865 -162.132 -158.129 GPRESSURE: 4693400 -125.326 -118.094 -223.85 6.16872 -103.276 -15.6314 -76.2983 -150.192 -174.547 PRESSAVG: 4693400 -19.1176 2.84194 19.9811 2.84197 35.7024 0.738903 19.9812 0.738947 -2.12051 GPRESSAVG: 4693400 -19.1316 2.28757 18.818 1.87393 35.3354 0.150011 20.4148 -0.947506 -1.33467 TIMING: 4693400 CPU: 14887.1, 0.00310921/step Wall: 14887.1, 0.00310921/step, 0.264801 hours remaining, 240.097656 MB of memory in use. ENERGY: 4693400 4031.6511 20504.9698 14439.8633 264.9512 -203318.1155 2511.6986 0.0000 0.0000 52312.6318 -109252.3497 300.6414 -161564.9815 -108888.3048 299.6524 -166.3498 -134.3831 760542.5429 4.8214 4.9564 PRESSURE: 4693600 313.875 32.5729 108.791 32.5725 -135.143 202.275 108.791 202.275 -112.076 GPRESSURE: 4693600 328.435 65.972 92.1518 53.5734 -62.2656 313.363 58.6185 225.146 -104.083 PRESSAVG: 4693600 70.7199 1.26574 -4.4392 1.26572 -63.8037 20.9883 -4.43919 20.9883 8.55499 GPRESSAVG: 4693600 72.5118 0.68956 -2.91773 0.803953 -64.1479 20.1307 -7.69255 24.9092 7.36723 TIMING: 4693600 CPU: 14887.7, 0.00313944/step Wall: 14887.7, 0.00313944/step, 0.267201 hours remaining, 240.097656 MB of memory in use. ENERGY: 4693600 4000.1743 20506.4024 14420.4728 247.8542 -203110.8127 2715.1429 0.0000 0.0000 52159.1449 -109061.6211 299.7593 -161220.7660 -108696.6346 300.3697 22.2185 54.0289 762556.0814 5.1571 5.2437 PRESSURE: 4693800 -13.5459 -191.815 59.281 -191.815 -219.343 179.079 59.2803 179.08 179.045 GPRESSURE: 4693800 -43.4693 -182.888 84.0223 -167.387 -152.346 137.026 -33.9587 205.955 226.461 PRESSAVG: 4693800 10.0506 -7.55312 9.71824 -7.55308 -29.8857 -2.11037 9.7182 -2.11038 5.68589 GPRESSAVG: 4693800 7.80951 -4.52519 9.5182 -7.62857 -30.1906 -3.39139 10.2272 -3.93143 7.54541 TIMING: 4693800 CPU: 14888.4, 0.00312805/step Wall: 14888.4, 0.00312805/step, 0.266058 hours remaining, 240.097656 MB of memory in use. ENERGY: 4693800 4014.9601 20495.5334 14374.2413 243.8059 -203474.3024 2819.0464 0.0000 0.0000 52549.9556 -108976.7597 302.0053 -161526.7153 -108614.8242 300.3247 -17.9481 10.2151 762166.9270 -4.7164 -4.9452 PRESSURE: 4694000 -22.8208 -154.514 225.416 -154.515 -385.097 0.0540099 225.415 0.0531614 57.4477 GPRESSURE: 4694000 -49.134 -103.231 243.59 -196.595 -248.124 3.4908 190.185 10.2096 32.1939 PRESSAVG: 4694000 -9.26495 5.90809 -9.11381 5.90814 -37.9507 55.314 -9.11383 55.314 -0.0428622 GPRESSAVG: 4694000 -9.62724 3.12005 -9.45718 6.03765 -36.6489 57.4281 -7.92569 56.9031 -0.445967 TIMING: 4694000 CPU: 14889, 0.00313425/step Wall: 14889, 0.00313425/step, 0.266411 hours remaining, 240.097656 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: 4694000 4034.7863 20667.7942 14531.2283 263.4072 -202845.0637 2315.7469 0.0000 0.0000 51890.9260 -109141.1748 298.2179 -161032.1008 -108787.2914 300.4005 -116.8234 -88.3547 763103.9378 -15.7528 -15.5740 PRESSURE: 4694200 -368.815 149.22 153.982 149.22 -101.119 -176.234 153.982 -176.234 127.433 GPRESSURE: 4694200 -320.677 163.297 116.257 188.67 -104.424 -215.985 208.152 -191.037 141.843 PRESSAVG: 4694200 -8.9138 37.2838 13.7235 37.2838 -19.5043 -20.9868 13.7235 -20.9867 19.913 GPRESSAVG: 4694200 -7.97789 38.7802 14.8446 39.1568 -20.0396 -22.2516 13.1007 -21.695 19.5991 TIMING: 4694200 CPU: 14889.6, 0.0031581/step Wall: 14889.6, 0.0031581/step, 0.268263 hours remaining, 240.097656 MB of memory in use. ENERGY: 4694200 3973.9018 20592.3380 14501.4949 262.0516 -203047.1833 2368.1165 0.0000 0.0000 52074.3708 -109274.9096 299.2721 -161349.2805 -108915.2966 300.1586 -114.1671 -94.4194 761623.3263 -2.8350 -2.8061 PRESSURE: 4694400 -598.428 41.835 110.283 41.835 -288.309 101.294 110.283 101.294 -384.412 GPRESSURE: 4694400 -464.757 40.9904 84.0119 87.43 -304.961 181.464 66.8094 -86.4146 -391.068 PRESSAVG: 4694400 115.087 -3.73434 35.9736 -3.73427 -57.8068 -37.9802 35.9736 -37.9802 11.3016 GPRESSAVG: 4694400 116.249 -3.44766 34.6793 -5.54562 -57.1493 -37.8452 35.0434 -38.4927 9.79084 TIMING: 4694400 CPU: 14890.2, 0.0031447/step Wall: 14890.2, 0.0031447/step, 0.26695 hours remaining, 240.097656 MB of memory in use. ENERGY: 4694400 3954.6117 20357.0170 14471.4474 244.4258 -203124.4476 2481.6522 0.0000 0.0000 52245.3740 -109369.9196 300.2549 -161615.2936 -108998.2116 299.6089 -423.7167 -386.9283 761725.3217 22.8604 22.9636 PRESSURE: 4694600 65.3231 -109.221 14.4998 -109.221 -262.256 216.63 14.4995 216.629 261.673 GPRESSURE: 4694600 140.42 -138.3 -13.4941 -39.1751 -257.01 173.978 -72.0403 139.081 268.429 PRESSAVG: 4694600 43.2321 3.02045 -64.6648 3.02043 -6.85905 -20.0661 -64.6648 -20.0661 -16.3155 GPRESSAVG: 4694600 42.4021 3.71438 -64.1204 1.58336 -7.24026 -19.6897 -63.9246 -21.3971 -14.8453 TIMING: 4694600 CPU: 14890.9, 0.00313379/step Wall: 14890.9, 0.00313379/step, 0.26585 hours remaining, 240.097656 MB of memory in use. ENERGY: 4694600 4040.7253 20506.2220 14388.1080 248.8399 -203024.4944 2336.3645 0.0000 0.0000 52294.7891 -109209.4456 300.5389 -161504.2347 -108840.0810 299.8187 21.5799 50.6131 761075.4413 6.6859 6.7722 PRESSURE: 4694800 123.136 -109.316 -75.006 -109.316 -204.963 26.1777 -75.0057 26.1783 105.87 GPRESSURE: 4694800 29.1777 -118.819 -157.31 -43.0345 -43.6402 4.19897 -68.8297 -81.29 117.173 PRESSAVG: 4694800 31.9862 -57.9159 -9.91419 -57.9159 -47.6144 -6.11234 -9.91421 -6.11232 6.47504 GPRESSAVG: 4694800 32.3987 -59.0243 -8.74883 -57.5024 -47.9382 -8.50285 -9.78655 -5.40994 6.21844 TIMING: 4694800 CPU: 14891.5, 0.00314951/step Wall: 14891.5, 0.00314951/step, 0.267008 hours remaining, 240.355469 MB of memory in use. ENERGY: 4694800 3984.3167 20456.6804 14447.1947 264.9390 -203235.4535 2506.4304 0.0000 0.0000 52278.9389 -109296.9533 300.4478 -161575.8922 -108927.3523 300.0437 8.0144 34.2368 761352.1503 -3.0511 -3.1070 PRESSURE: 4695000 279.183 -70.5117 -388.747 -70.5113 -206.417 -8.58565 -388.747 -8.58513 -362.848 GPRESSURE: 4695000 223.523 -215.725 -433.213 66.6655 -79.8296 -72.3375 -301.551 23.3815 -361.119 PRESSAVG: 4695000 -3.97129 -6.56511 -63.3207 -6.56505 35.0236 -2.82766 -63.3207 -2.82769 8.9992 GPRESSAVG: 4695000 -3.39452 -7.22429 -65.4556 -5.45453 35.8363 -1.1763 -63.3012 -2.21557 8.08037 TIMING: 4695000 CPU: 14892.1, 0.00314662/step Wall: 14892.1, 0.00314662/step, 0.266589 hours remaining, 240.355469 MB of memory in use. ENERGY: 4695000 3978.9830 20488.3455 14494.4357 252.5671 -203199.0260 2339.6016 0.0000 0.0000 52292.8369 -109352.2562 300.5277 -161645.0931 -108982.8443 299.5562 -96.6940 -72.4753 761456.3954 13.3505 13.5074 PRESSURE: 4695200 266.744 28.9203 -253.869 28.9206 -117.932 311.705 -253.87 311.705 126.41 GPRESSURE: 4695200 236.749 77.6082 -305.14 -53.8817 2.41934 318.166 -193.748 253.594 117.183 PRESSAVG: 4695200 -28.0383 -40.2886 -5.62111 -40.2886 51.7633 41.2392 -5.62101 41.2392 -11.7067 GPRESSAVG: 4695200 -28.7098 -40.8323 -4.46956 -41.2964 51.7538 41.387 -4.36783 42.9814 -10.92 TIMING: 4695200 CPU: 14892.8, 0.00314302/step Wall: 14892.8, 0.00314302/step, 0.266109 hours remaining, 240.355469 MB of memory in use. ENERGY: 4695200 4016.2298 20601.0767 14469.6664 248.2420 -203341.6508 2648.4357 0.0000 0.0000 52138.3950 -109219.6051 299.6401 -161358.0001 -108859.2278 299.9620 91.7408 118.7835 760622.6685 4.0061 4.0413 PRESSURE: 4695400 -69.0573 42.6195 77.3482 42.6198 -141.999 -57.3364 77.3486 -57.336 -221.213 GPRESSURE: 4695400 -114.199 67.3096 129.241 8.13112 -103.507 -13.3191 -12.0134 -77.852 -113.919 PRESSAVG: 4695400 -47.6557 12.0407 26.7701 12.0407 44.831 37.2547 26.77 37.2547 -3.34324 GPRESSAVG: 4695400 -46.8522 13.1827 26.6457 11.762 44.4547 37.2373 25.1598 32.7087 -3.62268 TIMING: 4695400 CPU: 14893.4, 0.00314064/step Wall: 14893.4, 0.00314064/step, 0.265733 hours remaining, 240.355469 MB of memory in use. ENERGY: 4695400 4002.9299 20593.6836 14482.0393 251.1679 -202997.8573 2294.8791 0.0000 0.0000 51992.8137 -109380.3438 298.8034 -161373.1575 -109016.9737 299.9845 -144.0897 -110.5416 762252.1838 -2.0560 -2.0067 PRESSURE: 4695600 -109.624 -23.171 -76.2788 -23.1706 -164.285 30.8495 -76.2784 30.8491 -358.746 GPRESSURE: 4695600 -34.4348 -50.0146 -65.252 -21.4356 -117.471 62.2472 -60.1936 -132.695 -406.136 PRESSAVG: 4695600 -33.8268 -64.4529 -9.86629 -64.4528 -1.52455 6.59011 -9.86637 6.59007 24.0904 GPRESSAVG: 4695600 -34.0797 -63.6808 -10.9816 -65.3835 -1.17759 7.99134 -8.30311 9.14261 24.1342 TIMING: 4695600 CPU: 14894, 0.00312581/step Wall: 14894, 0.00312581/step, 0.264305 hours remaining, 240.355469 MB of memory in use. ENERGY: 4695600 4141.4678 20489.4340 14415.2156 236.0615 -203346.4344 2446.8060 0.0000 0.0000 52137.1852 -109480.2643 299.6331 -161617.4495 -109124.1960 299.3354 -210.8852 -186.0140 760267.1911 -3.7536 -3.7077 PRESSURE: 4695800 -81.7431 -301.003 157.019 -301.002 -28.6468 -96.2976 157.021 -96.2973 -20.1463 GPRESSURE: 4695800 -98.6856 -238.798 256.484 -218.064 -24.935 -20.5632 106.783 -80.4956 76.7908 PRESSAVG: 4695800 -7.20917 -46.5411 -17.9164 -46.541 17.7519 26.1963 -17.9163 26.1963 0.311514 GPRESSAVG: 4695800 -6.55677 -45.8736 -17.766 -46.2729 17.0324 25.2424 -19.6281 27.0141 0.664501 TIMING: 4695800 CPU: 14894.6, 0.00314846/step Wall: 14894.6, 0.00314846/step, 0.266045 hours remaining, 240.355469 MB of memory in use. ENERGY: 4695800 3986.2143 20523.5960 14454.0128 254.5123 -203451.6983 2441.8951 0.0000 0.0000 52148.4490 -109643.0188 299.6979 -161791.4678 -109273.5978 298.8763 -43.5120 -15.6099 760367.9440 3.6181 3.7134 PRESSURE: 4696000 17.6927 -180.1 61.9165 -180.101 153.081 216.541 61.9165 216.542 -51.2327 GPRESSURE: 4696000 101.311 -120.345 125.464 -290.132 120.29 240.042 178.443 110.294 -23.2847 PRESSAVG: 4696000 -57.939 -69.8541 -49.7508 -69.8541 86.1621 -32.1464 -49.7507 -32.1463 3.70243 GPRESSAVG: 4696000 -58.497 -73.281 -50.1797 -67.843 87.1934 -32.3019 -46.5291 -31.4426 3.40122 TIMING: 4696000 CPU: 14895.3, 0.00315717/step Wall: 14895.3, 0.00315717/step, 0.266605 hours remaining, 240.355469 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: 4696000 3990.7558 20687.9983 14452.2574 241.6261 -203537.0233 2524.2793 0.0000 0.0000 52026.1762 -109613.9302 298.9951 -161640.1064 -109254.7985 298.6949 39.8469 66.1055 760054.3340 10.6418 10.6992 PRESSURE: 4696200 89.6612 -63.0567 -130.855 -63.0563 238.373 -181.22 -130.856 -181.222 -374.771 GPRESSURE: 4696200 136.636 -153.287 -177.418 -13.3515 231.792 -123.602 -111.397 -173.335 -328.94 PRESSAVG: 4696200 -60.4265 -16.3697 8.98254 -16.3697 12.877 -48.4604 8.98261 -48.4603 9.58695 GPRESSAVG: 4696200 -59.5618 -15.8724 9.13233 -16.0367 13.4698 -46.6989 7.78745 -50.058 8.6013 TIMING: 4696200 CPU: 14895.9, 0.00314748/step Wall: 14895.9, 0.00314748/step, 0.265612 hours remaining, 240.355469 MB of memory in use. ENERGY: 4696200 4006.9212 20361.8123 14484.1486 239.9423 -203624.2143 2571.2621 0.0000 0.0000 52376.5930 -109583.5348 301.0090 -161960.1277 -109212.1951 299.1796 -15.5788 13.1626 759937.0427 -12.6542 -12.4969 LDB: ============= START OF LOAD BALANCING ============== 14908.4 LDB: ============== END OF LOAD BALANCING =============== 14908.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14908.4 LDB: ============= START OF LOAD BALANCING ============== 14908.7 LDB: Largest compute 7068 load 0.035501 is 18.2% of average load 0.195467 LDB: Average compute 0.004393 is 2.2% of average load 0.195467 LDB: TIME 14908.7 LOAD: AVG 0.195467 MAX 0.212799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.227 MB LDB: TIME 14908.7 LOAD: AVG 0.195467 MAX 0.212799 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.43 MB LDB: TIME 14908.7 LOAD: AVG 0.195467 MAX 0.212799 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.43 MB LDB: ============== END OF LOAD BALANCING =============== 14908.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14908.7 PRESSURE: 4696400 -262.524 -195.208 16.1217 -195.208 396.094 -41.0701 16.1221 -41.0698 -40.4972 GPRESSURE: 4696400 -198.979 -198.732 -17.7893 -204.447 425.224 -102.929 -40.0289 -107.948 -43.5775 PRESSAVG: 4696400 -10.7662 14.7719 -1.70597 14.772 50.6377 -5.14054 -1.70606 -5.14057 4.26894 GPRESSAVG: 4696400 -11.8169 14.7611 -0.807949 14.4827 49.3213 -6.63454 -3.22586 -5.61926 6.48077 TIMING: 4696400 CPU: 14896.5, 0.00322167/step Wall: 14896.5, 0.00322167/step, 0.271694 hours remaining, 239.968750 MB of memory in use. ENERGY: 4696400 4060.1664 20482.5022 14423.3933 271.3974 -203638.8925 2617.7395 0.0000 0.0000 52067.6186 -109716.0751 299.2333 -161783.6938 -109357.0034 299.1803 31.0240 60.8892 758425.9712 14.7135 14.6617 PRESSURE: 4696600 -65.4235 35.7714 33.749 35.7714 -83.2051 -424.418 33.7493 -424.418 -86.8613 GPRESSURE: 4696600 -11.8202 116.902 21.2781 -96.5129 -57.6198 -333.342 -24.5153 -278.141 -100.813 PRESSAVG: 4696600 -31.4318 -30.2205 33.5215 -30.2205 12.5115 -15.5719 33.5215 -15.5719 9.11003 GPRESSAVG: 4696600 -31.4851 -30.5393 31.3892 -30.3507 13.6171 -15.5913 35.3212 -14.2526 8.01225 TIMING: 4696600 CPU: 14897.2, 0.00312556/step Wall: 14897.2, 0.00312556/step, 0.263415 hours remaining, 239.968750 MB of memory in use. ENERGY: 4696600 4020.5289 20505.1228 14466.9295 237.6661 -203442.5074 2362.2067 0.0000 0.0000 52035.5572 -109814.4962 299.0491 -161850.0534 -109453.7683 299.1098 -78.4966 -56.7511 759475.0717 -3.2701 -3.2853 PRESSURE: 4696800 18.5777 -168.433 60.0778 -168.433 -308.216 209.084 60.0777 209.084 -279.058 GPRESSURE: 4696800 35.5055 -155.322 54.2035 -33.8032 -258.051 222.956 -35.6538 170.554 -260.991 PRESSAVG: 4696800 -18.9176 -32.8007 31.9349 -32.8007 34.2616 -49.761 31.9349 -49.761 13.7056 GPRESSAVG: 4696800 -18.2844 -33.6414 34.5492 -32.9453 33.7511 -49.4474 30.7401 -52.2337 13.4932 TIMING: 4696800 CPU: 14897.8, 0.00313582/step Wall: 14897.8, 0.00313583/step, 0.264106 hours remaining, 239.968750 MB of memory in use. ENERGY: 4696800 3938.9066 20502.3939 14437.1514 257.7946 -203402.4342 2089.1047 0.0000 0.0000 52200.3910 -109976.6919 299.9964 -162177.0829 -109621.9123 298.6342 -189.5653 -161.1790 757656.2318 9.6832 9.6533 PRESSURE: 4697000 -146.846 192.667 150.199 192.667 -82.2732 -50.5891 150.199 -50.5895 68.9583 GPRESSURE: 4697000 -57.0826 184.782 85.6793 102.221 -130.28 -21.7561 199.545 -110.292 95.1642 PRESSAVG: 4697000 66.888 -34.2737 -3.67251 -34.2736 -52.3944 -8.95493 -3.6725 -8.95488 9.55852 GPRESSAVG: 4697000 66.412 -34.0092 -4.40431 -33.8862 -53.1926 -9.79336 -3.89259 -7.20957 10.6355 TIMING: 4697000 CPU: 14898.4, 0.00313392/step Wall: 14898.4, 0.00313392/step, 0.263772 hours remaining, 239.968750 MB of memory in use. ENERGY: 4697000 3938.7842 20630.3701 14458.4397 250.5773 -203430.8986 2345.5497 0.0000 0.0000 52000.8416 -109806.3358 298.8496 -161807.1774 -109450.6361 298.8713 -53.3869 -30.7327 758087.0758 8.0174 7.9516 PRESSURE: 4697200 85.9341 -122.183 186.318 -122.184 -553.862 -2.60554 186.318 -2.60628 -221.093 GPRESSURE: 4697200 104.854 -88.6468 248.544 -117.243 -506.671 -8.24183 169.069 67.9019 -181.114 PRESSAVG: 4697200 79.5858 -49.8174 34.4215 -49.8174 -53.867 -16.161 34.4215 -16.161 16.6611 GPRESSAVG: 4697200 78.7536 -48.6449 35.137 -51.9396 -53.2145 -16.3019 36.046 -16.0338 16.3643 TIMING: 4697200 CPU: 14899.1, 0.00314267/step Wall: 14899.1, 0.00314267/step, 0.264333 hours remaining, 239.968750 MB of memory in use. ENERGY: 4697200 3951.9606 20505.0793 14464.8179 249.0563 -203221.8666 2251.9869 0.0000 0.0000 52068.7551 -109730.2104 299.2399 -161798.9656 -109361.0966 299.3572 -229.6735 -194.3100 760032.9557 14.1267 13.9678 PRESSURE: 4697400 -11.7421 22.3376 -185.886 22.3384 -223.413 -51.1098 -185.887 -51.1114 -116.158 GPRESSURE: 4697400 -28.6252 -48.1975 -165.243 45.3282 -211.986 -66.8633 -164.833 -3.32908 -43.8217 PRESSAVG: 4697400 36.7478 -43.9252 59.5343 -43.9253 -40.3235 -56.4735 59.5343 -56.4735 -14.6501 GPRESSAVG: 4697400 36.6292 -44.1558 57.6018 -43.4749 -40.4214 -54.9685 60.5443 -57.2459 -14.3466 TIMING: 4697400 CPU: 14899.7, 0.00313755/step Wall: 14899.7, 0.00313755/step, 0.263729 hours remaining, 239.968750 MB of memory in use. ENERGY: 4697400 3917.1404 20509.9121 14485.6969 244.0501 -203387.7472 2313.0462 0.0000 0.0000 52214.8434 -109703.0582 300.0794 -161917.9016 -109335.0102 299.0717 -117.1043 -94.8111 758814.9711 -6.0753 -6.0463 PRESSURE: 4697600 13.4778 -191.274 275.27 -191.274 140.614 106.107 275.271 106.107 343.703 GPRESSURE: 4697600 90.885 -49.911 230.897 -155.39 101.906 90.564 262.941 58.9475 388.785 PRESSAVG: 4697600 81.082 -42.0983 4.78049 -42.0982 -58.4853 -14.288 4.78051 -14.288 6.07006 GPRESSAVG: 4697600 83.1861 -42.4889 5.73474 -42.4314 -59.8015 -14.4181 3.01225 -13.3789 5.35309 TIMING: 4697600 CPU: 14900.3, 0.00314255/step Wall: 14900.3, 0.00314255/step, 0.263974 hours remaining, 239.968750 MB of memory in use. ENERGY: 4697600 3928.7136 20417.5372 14489.9716 229.3509 -202597.4654 2023.8386 0.0000 0.0000 51636.1660 -109871.8874 296.7538 -161508.0535 -109509.7990 298.5029 165.9317 193.8586 758021.4205 9.5556 9.5792 PRESSURE: 4697800 151.683 47.1126 77.3441 47.1138 -188.369 -133.582 77.3444 -133.582 -375.68 GPRESSURE: 4697800 200.536 49.677 83.0343 65.1946 -178.698 -205.76 118.536 -49.818 -344.326 PRESSAVG: 4697800 82.6866 -71.8709 24.417 -71.8709 -99.6217 -34.0106 24.4171 -34.0107 -18.492 GPRESSAVG: 4697800 82.118 -70.4803 22.3845 -70.3102 -97.7629 -35.2369 24.8416 -35.1177 -19.5134 TIMING: 4697800 CPU: 14900.9, 0.00315075/step Wall: 14900.9, 0.00315075/step, 0.264488 hours remaining, 239.968750 MB of memory in use. ENERGY: 4697800 3959.8212 20415.2438 14556.0404 236.4245 -203081.2057 2197.1348 0.0000 0.0000 51812.7400 -109903.8009 297.7685 -161716.5410 -109544.8036 298.5701 -137.4554 -107.4958 760877.7964 -11.8090 -11.7194 PRESSURE: 4698000 93.1333 33.6337 135.679 33.6342 -339.037 -75.081 135.679 -75.0809 246.397 GPRESSURE: 4698000 158.951 31.6325 209.204 96.7695 -320.448 -68.3784 117.043 -56.5516 223.261 PRESSAVG: 4698000 78.0505 -17.9731 25.1076 -17.9731 -67.7488 -5.37465 25.1077 -5.37467 -3.01101 GPRESSAVG: 4698000 78.3436 -18.424 27.33 -18.7315 -68.042 -3.55225 26.9538 -6.06534 -3.37129 TIMING: 4698000 CPU: 14901.6, 0.00315833/step Wall: 14901.6, 0.00315833/step, 0.264949 hours remaining, 239.968750 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: 4698000 3986.4122 20305.7630 14554.2772 242.2143 -203642.0473 2474.7383 0.0000 0.0000 52013.0118 -110065.6304 298.9195 -162078.6422 -109687.4972 298.2845 0.1643 20.5881 760145.2904 2.4303 2.3101 PRESSURE: 4698200 288.847 -149.711 -12.378 -149.711 145.442 -1.5551 -12.378 -1.55574 487.804 GPRESSURE: 4698200 260.674 -129.386 -3.73873 -83.097 247.392 48.2965 -2.48007 -14.0641 488.009 PRESSAVG: 4698200 26.1946 16.7247 10.3668 16.7246 3.1467 -17.897 10.3668 -17.8969 -6.09928 GPRESSAVG: 4698200 26.1371 16.9798 9.89929 14.9433 2.94616 -18.4965 6.02352 -17.4998 -5.60495 TIMING: 4698200 CPU: 14902.2, 0.00313991/step Wall: 14902.2, 0.00313992/step, 0.26323 hours remaining, 239.968750 MB of memory in use. ENERGY: 4698200 3980.5861 20476.1474 14465.0809 265.3479 -203901.2809 2695.9623 0.0000 0.0000 51924.2051 -110093.9512 298.4091 -162018.1563 -109736.6163 298.1695 307.3643 332.0249 758629.0953 7.7473 7.8261 PRESSURE: 4698400 389.059 124.746 -126.523 124.747 -136.185 -218.92 -126.523 -218.919 259.247 GPRESSURE: 4698400 387.752 132.765 -55.8773 157.369 -90.7025 -186.348 -89.8745 -143.27 289.824 PRESSAVG: 4698400 44.5674 3.53543 7.25629 3.53547 -21.5887 -6.91553 7.25629 -6.91553 -4.68157 GPRESSAVG: 4698400 42.912 2.54794 7.18914 4.19754 -19.882 -6.78364 12.4329 -4.84177 -4.84192 TIMING: 4698400 CPU: 14902.8, 0.00313682/step Wall: 14902.8, 0.00313682/step, 0.262796 hours remaining, 239.968750 MB of memory in use. ENERGY: 4698400 4040.2478 20463.6323 14465.4077 242.1578 -203910.7614 2761.5476 0.0000 0.0000 51899.2572 -110038.5110 298.2657 -161937.7682 -109685.0187 298.3616 170.7070 195.6246 759604.0883 6.0990 6.0627 PRESSURE: 4698600 73.0891 257.527 84.6254 257.526 62.3848 -33.9212 84.625 -33.9205 146.996 GPRESSURE: 4698600 109.948 70.7459 52.3739 216.006 73.6964 -96.1245 34.2828 -62.738 196.085 PRESSAVG: 4698600 49.0731 -39.9173 15.0165 -39.9173 -48.68 -47.4906 15.0165 -47.4906 -6.51464 GPRESSAVG: 4698600 49.6662 -41.8547 15.0394 -38.8736 -49.817 -47.8936 12.1505 -48.3339 -6.07725 TIMING: 4698600 CPU: 14903.5, 0.00311451/step Wall: 14903.5, 0.00311451/step, 0.260754 hours remaining, 239.968750 MB of memory in use. ENERGY: 4698600 3982.4205 20499.3143 14449.2604 240.2126 -203403.4219 2323.8825 0.0000 0.0000 51992.2667 -109916.0649 298.8003 -161908.3316 -109564.2208 298.4917 94.1567 126.5765 759871.6710 -2.0405 -2.0760 PRESSURE: 4698800 225.061 -59.4542 -83.6019 -59.4547 -222.987 -264.886 -83.6014 -264.888 31.6925 GPRESSURE: 4698800 261.355 80.2242 -83.2978 -40.1578 -156.91 -164.571 -42.9542 -119.706 5.32913 PRESSAVG: 4698800 25.7996 -22.9168 22.4061 -22.9168 -30.4301 2.53176 22.4061 2.53171 8.06046 GPRESSAVG: 4698800 25.0391 -19.6953 23.6591 -23.6761 -30.2355 2.7156 22.306 2.35421 8.30902 TIMING: 4698800 CPU: 14904.1, 0.00312995/step Wall: 14904.1, 0.00312995/step, 0.261872 hours remaining, 239.968750 MB of memory in use. ENERGY: 4698800 3994.1980 20538.7877 14511.0297 244.7104 -203278.5645 2301.9331 0.0000 0.0000 52071.6628 -109616.2428 299.2566 -161687.9056 -109251.4647 298.5012 11.2553 36.5915 759044.2682 1.1434 1.0375 PRESSURE: 4699000 -11.2494 -128.583 -199.253 -128.582 140.03 -180.466 -199.252 -180.465 -130.033 GPRESSURE: 4699000 111.098 -117.199 -115.945 -197.374 108.714 -193.257 -257.837 -261.537 -130.154 PRESSAVG: 4699000 33.4687 12.7219 0.665943 12.722 -9.69715 40.2877 0.66588 40.2877 -25.5662 GPRESSAVG: 4699000 35.3986 13.3255 2.21079 11.0296 -10.277 38.6424 -0.912819 38.9522 -26.4389 TIMING: 4699000 CPU: 14904.7, 0.00313858/step Wall: 14904.7, 0.00313858/step, 0.26242 hours remaining, 239.968750 MB of memory in use. ENERGY: 4699000 4018.7308 20570.2942 14430.2183 259.3636 -203572.0319 2478.0573 0.0000 0.0000 52273.1042 -109542.2635 300.4142 -161815.3676 -109173.2120 299.3390 -0.4175 29.8862 759728.1731 -0.5982 -0.4391 PRESSURE: 4699200 -229.672 -29.8137 89.9983 -29.8135 133.103 115.832 89.9985 115.834 -166.336 GPRESSURE: 4699200 -119.564 24.3213 139.893 -49.8688 78.1887 69.3482 73.1989 192.162 -144.671 PRESSAVG: 4699200 9.1156 -48.7371 31.2713 -48.7371 -10.8603 5.67233 31.2713 5.67234 -35.7616 GPRESSAVG: 4699200 8.18631 -51.2086 28.321 -47.3611 -10.2774 6.84486 33.8047 6.64396 -35.8956 TIMING: 4699200 CPU: 14905.3, 0.00313082/step Wall: 14905.3, 0.00313082/step, 0.261597 hours remaining, 239.968750 MB of memory in use. ENERGY: 4699200 4032.5871 20557.5773 14500.6838 260.7270 -203800.8070 2847.6871 0.0000 0.0000 52154.6766 -109446.8682 299.7336 -161601.5447 -109083.7784 299.6846 -87.6350 -62.0155 759952.7442 -12.5021 -12.6622 PRESSURE: 4699400 -44.5161 -180.052 143.157 -180.051 72.2395 58.6369 143.158 58.6376 8.2534 GPRESSURE: 4699400 55.2114 -185.077 99.2965 -202.243 -5.93619 111.953 103.73 38.4764 57.8929 PRESSAVG: 4699400 -1.67525 -43.6085 -1.71914 -43.6085 5.2485 9.97129 -1.71912 9.97122 -6.96732 GPRESSAVG: 4699400 -2.31675 -42.4229 -0.610455 -45.4538 5.05499 12.5466 -2.24442 8.87163 -6.15993 TIMING: 4699400 CPU: 14906, 0.00313738/step Wall: 14906, 0.00313738/step, 0.261971 hours remaining, 239.968750 MB of memory in use. ENERGY: 4699400 4016.4475 20540.2924 14479.6757 267.9904 -203367.8884 2461.9307 0.0000 0.0000 52355.7652 -109245.7867 300.8893 -161601.5518 -108885.8655 300.1711 11.9923 35.7227 760485.7880 -1.1314 -1.1406 PRESSURE: 4699600 -403.322 220.492 -27.1296 220.492 -79.6911 262.812 -27.129 262.811 -462.61 GPRESSURE: 4699600 -414.89 194.201 7.07687 219.795 -3.99445 237.955 -58.356 234.074 -458.506 PRESSAVG: 4699600 -34.6957 -9.82597 77.1944 -9.82601 72.2794 13.1915 77.1943 13.1915 1.84973 GPRESSAVG: 4699600 -33.9397 -12.1955 76.5178 -7.1089 71.7381 10.2193 76.5681 14.4542 1.32019 TIMING: 4699600 CPU: 14906.6, 0.00313346/step Wall: 14906.6, 0.00313346/step, 0.26147 hours remaining, 239.968750 MB of memory in use. ENERGY: 4699600 4053.9013 20462.4447 14454.2936 271.6705 -203317.8511 2443.7804 0.0000 0.0000 52186.7955 -109444.9651 299.9182 -161631.7605 -109077.3710 299.6872 -315.2079 -292.4637 759714.5754 13.1445 13.0395 PRESSURE: 4699800 -67.9221 -243.469 -82.2613 -243.468 113.937 -54.321 -82.2623 -54.3216 -1.79591 GPRESSURE: 4699800 -9.6049 -177.893 -86.1571 -185 142.075 -68.8844 22.245 -184.009 12.7266 PRESSAVG: 4699800 -35.1717 16.1749 33.4901 16.1748 -33.4645 19.854 33.4901 19.8539 12.2786 GPRESSAVG: 4699800 -34.5794 18.282 34.2365 14.6798 -33.3741 20.2359 32.9043 20.0688 11.6098 TIMING: 4699800 CPU: 14907.2, 0.00314097/step Wall: 14907.2, 0.00314097/step, 0.261922 hours remaining, 239.968750 MB of memory in use. ENERGY: 4699800 3995.6583 20599.2028 14402.1712 269.3480 -203397.0321 2622.8825 0.0000 0.0000 51995.5571 -109512.2122 298.8192 -161507.7693 -109162.4524 298.9475 14.7396 48.3987 760246.9243 -18.7859 -18.7812 PRESSURE: 4700000 9.712 112.417 -1.86646 112.418 41.051 -101.25 -1.8665 -101.249 -229.223 GPRESSURE: 4700000 42.8243 131.609 -54.5922 150.151 97.4871 -106.2 -23.952 -130.663 -223.904 PRESSAVG: 4700000 59.8214 -13.4325 39.4693 -13.4325 -8.8511 -57.6906 39.4692 -57.6906 0.837643 GPRESSAVG: 4700000 58.6934 -12.6501 38.677 -13.098 -9.12988 -57.4692 40.3519 -59.163 2.21291 TIMING: 4700000 CPU: 14907.8, 0.00314918/step Wall: 14907.8, 0.00314918/step, 0.262432 hours remaining, 239.968750 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: 4700000 3973.2632 20704.9300 14454.2682 258.0419 -203134.4069 2537.0019 0.0000 0.0000 51852.1450 -109354.7567 297.9950 -161206.9017 -108996.8460 299.2257 -59.4866 -27.8641 760862.7176 17.2693 17.2588 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700200 89.4089 113.401 62.4547 113.4 -159.7 15.0921 62.4547 15.0927 -412.554 GPRESSURE: 4700200 82.1596 50.4025 77.0621 67.0955 -153.17 70.8056 25.352 78.5568 -329.884 PRESSAVG: 4700200 59.494 23.779 49.1873 23.779 -9.04596 -14.7896 49.1872 -14.7897 10.9504 GPRESSAVG: 4700200 60.8008 22.3567 48.7068 24.6153 -10.204 -15.0357 47.2002 -13.7515 11.048 TIMING: 4700200 CPU: 14908.5, 0.00323413/step Wall: 14908.5, 0.00323413/step, 0.269331 hours remaining, 239.968750 MB of memory in use. ENERGY: 4700200 4003.9027 20594.9206 14504.5089 250.1690 -203546.5926 2338.5737 0.0000 0.0000 52206.3814 -109648.1361 300.0308 -161854.5176 -109284.5265 299.3114 -160.9481 -133.6314 759869.3087 20.4661 20.5483 LDB: ============= START OF LOAD BALANCING ============== 14920.9 LDB: ============== END OF LOAD BALANCING =============== 14920.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14920.9 LDB: ============= START OF LOAD BALANCING ============== 14921.3 LDB: Largest compute 7068 load 0.033498 is 17.1% of average load 0.195464 LDB: Average compute 0.004375 is 2.2% of average load 0.195464 LDB: TIME 14921.3 LOAD: AVG 0.195464 MAX 0.215569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.738 MB LDB: TIME 14921.3 LOAD: AVG 0.195464 MAX 0.215569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: TIME 14921.3 LOAD: AVG 0.195464 MAX 0.215569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.938 MB LDB: ============== END OF LOAD BALANCING =============== 14921.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14921.3 PRESSURE: 4700400 -419.975 136.658 37.6999 136.658 -3.48734 -71.8409 37.7011 -71.8407 -238.326 GPRESSURE: 4700400 -312.479 52.8829 -49.72 15.755 -13.616 -75.2071 37.6226 46.7633 -253.508 PRESSAVG: 4700400 42.9878 13.7473 37.5813 13.7473 -42.7053 -38.3605 37.5814 -38.3604 35.5028 GPRESSAVG: 4700400 42.0596 15.7011 37.5878 12.2802 -41.1113 -38.2241 41.4574 -39.9168 34.7609 TIMING: 4700400 CPU: 14909.1, 0.00320478/step Wall: 14909.1, 0.00320478/step, 0.266709 hours remaining, 242.089844 MB of memory in use. ENERGY: 4700400 3966.5870 20586.9333 14435.8339 256.3303 -203206.3309 2472.7839 0.0000 0.0000 51740.0796 -109747.7829 297.3509 -161487.8625 -109383.6352 298.8801 -220.5961 -193.2011 762597.8665 11.9284 11.9031 PRESSURE: 4700600 -185.195 -20.3328 167.62 -20.3326 19.8091 -216.087 167.62 -216.087 148.175 GPRESSURE: 4700600 -82.7983 -18.377 228.542 18.3768 6.74363 -182.579 236.965 -226.697 147.731 PRESSAVG: 4700600 -21.7398 -20.573 -18.4316 -20.573 11.2422 -6.5511 -18.4316 -6.5511 11.7578 GPRESSAVG: 4700600 -21.4285 -22.2136 -18.2077 -22.7194 9.8924 -7.24362 -18.604 -4.62089 12.8741 TIMING: 4700600 CPU: 14909.8, 0.00313247/step Wall: 14909.8, 0.00313247/step, 0.260517 hours remaining, 242.160156 MB of memory in use. ENERGY: 4700600 3971.0429 20524.6282 14489.8103 236.5451 -203725.3549 2739.5103 0.0000 0.0000 52317.6848 -109446.1334 300.6705 -161763.8182 -109081.4315 298.8043 -5.7370 23.8922 760964.5719 0.4201 0.4460 PRESSURE: 4700800 -56.8825 -200.119 96.5967 -200.12 22.3545 -62.9754 96.5961 -62.9755 -295.624 GPRESSURE: 4700800 3.95407 -126.779 137.76 -77.7253 89.7953 -32.9649 53.2954 -173.56 -340.922 PRESSAVG: 4700800 33.3773 -18.0859 81.4256 -18.0858 11.9546 -46.3815 81.4256 -46.3815 14.0319 GPRESSAVG: 4700800 33.2231 -16.1588 80.582 -14.6533 13.7312 -46.2481 80.1807 -46.8429 13.1065 TIMING: 4700800 CPU: 14910.4, 0.00314029/step Wall: 14910.4, 0.00314029/step, 0.260993 hours remaining, 242.160156 MB of memory in use. ENERGY: 4700800 3989.8490 20543.1358 14500.1501 262.3045 -203560.6462 2733.6247 0.0000 0.0000 51926.8143 -109604.7678 298.4241 -161531.5822 -109246.9358 299.5461 -110.0506 -82.3909 760500.5130 19.7879 20.0203 PRESSURE: 4701000 -36.0001 127.715 -118.066 127.715 103.329 285.156 -118.066 285.155 -38.6969 GPRESSURE: 4701000 26.72 22.0062 -24.9096 82.1105 95.9059 325.116 -74.8215 233.881 -5.67979 PRESSAVG: 4701000 1.80881 15.7669 18.3889 15.767 21.3712 -3.26955 18.3889 -3.26954 23.8544 GPRESSAVG: 4701000 3.50403 14.072 20.6442 14.6874 19.3672 -3.48925 17.5016 -4.05853 24.1599 TIMING: 4701000 CPU: 14911, 0.00315352/step Wall: 14911, 0.00315352/step, 0.261918 hours remaining, 242.160156 MB of memory in use. ENERGY: 4701000 3913.5018 20649.2293 14523.5840 242.0109 -203426.5415 2569.9372 0.0000 0.0000 51895.9295 -109632.3489 298.2466 -161528.2784 -109276.4634 298.7120 9.5439 38.9821 760481.2823 15.6782 15.6771 PRESSURE: 4701200 -135.243 65.9161 -147.616 65.9158 -12.6332 -30.3237 -147.617 -30.323 530.409 GPRESSURE: 4701200 -58.772 2.12856 -143.381 -77.2192 -49.2281 69.0295 -209.576 -39.0303 564.759 PRESSAVG: 4701200 17.3585 33.1806 19.693 33.1807 -52.7199 30.6927 19.6931 30.6927 13.304 GPRESSAVG: 4701200 15.1521 35.4004 17.5472 33.4551 -50.826 30.7205 20.9234 31.4667 13.5078 TIMING: 4701200 CPU: 14911.6, 0.00313641/step Wall: 14911.6, 0.00313641/step, 0.260322 hours remaining, 242.160156 MB of memory in use. ENERGY: 4701200 3893.9066 20539.9879 14432.8653 230.5661 -203442.4268 2476.4107 0.0000 0.0000 52070.3928 -109798.2974 299.2493 -161868.6902 -109438.2327 299.0453 127.5107 152.2530 760154.0057 -7.3525 -7.3887 PRESSURE: 4701400 90.1819 13.1778 -59.0355 13.1784 111.785 94.1554 -59.035 94.1558 153.756 GPRESSURE: 4701400 91.4137 94.5267 -181.974 7.53052 94.2062 32.4693 -109.538 9.99009 257.151 PRESSAVG: 4701400 36.4374 -71.2346 -14.759 -71.2346 -50.3854 28.1847 -14.7589 28.1847 -38.476 GPRESSAVG: 4701400 36.3962 -73.1387 -13.9699 -71.3856 -50.8842 29.0693 -14.2746 26.3424 -37.5946 TIMING: 4701400 CPU: 14912.3, 0.00315095/step Wall: 14912.3, 0.00315095/step, 0.261354 hours remaining, 242.160156 MB of memory in use. ENERGY: 4701400 4004.9937 20551.5857 14464.0593 234.1842 -203350.6566 2517.3179 0.0000 0.0000 51988.2892 -109590.2265 298.7774 -161578.5157 -109242.8606 299.0509 118.5742 147.5903 759898.8669 -17.4747 -17.3609 PRESSURE: 4701600 -150.572 -184.775 213.527 -184.776 181.581 15.7141 213.527 15.7133 -212.306 GPRESSURE: 4701600 -31.0116 -143.224 128.853 -157.886 155.793 -19.0909 188.427 6.60662 -203.335 PRESSAVG: 4701600 92.2665 -11.0723 -6.03902 -11.0723 -70.9834 -6.2479 -6.039 -6.24798 4.15073 GPRESSAVG: 4701600 92.9799 -10.5386 -5.52979 -9.78444 -71.0062 -6.55359 -6.74467 -5.32993 4.21725 TIMING: 4701600 CPU: 14912.9, 0.00312654/step Wall: 14912.9, 0.00312654/step, 0.259155 hours remaining, 242.160156 MB of memory in use. ENERGY: 4701600 4036.6661 20673.9109 14389.9057 234.9533 -203416.5142 2573.5931 0.0000 0.0000 52213.0922 -109294.3931 300.0694 -161507.4852 -108933.2416 299.7579 -60.4322 -26.1847 760077.2535 8.4779 8.7303 PRESSURE: 4701800 111.952 186.527 -13.7923 186.528 111.13 119.861 -13.7926 119.861 107.143 GPRESSURE: 4701800 132.059 142.723 -22.4587 126.357 134.483 86.3682 7.52957 28.1221 135.974 PRESSAVG: 4701800 -6.0291 -21.8972 -16.2129 -21.8972 -3.55349 -30.1986 -16.2129 -30.1986 1.06469 GPRESSAVG: 4701800 -4.91853 -22.4967 -16.7703 -24.2833 -5.00413 -29.1525 -16.6849 -33.2691 1.17088 TIMING: 4701800 CPU: 14913.5, 0.00315336/step Wall: 14913.5, 0.00315336/step, 0.261203 hours remaining, 242.160156 MB of memory in use. ENERGY: 4701800 4022.9716 20637.8665 14408.1500 252.2233 -203200.1136 2574.3006 0.0000 0.0000 51940.1471 -109364.4545 298.5007 -161304.6016 -108994.9130 299.8862 110.0748 134.1720 761208.2197 -2.8393 -2.9173 PRESSURE: 4702000 317.691 -326.389 -155.771 -326.389 68.9428 110.698 -155.771 110.698 -63.3572 GPRESSURE: 4702000 392.544 -182.441 -138.936 -333.308 -6.69504 139.973 -137.915 61.8127 12.445 PRESSAVG: 4702000 11.2579 -78.6216 -53.2603 -78.6215 -30.9154 -27.7305 -53.2603 -27.7306 7.8951 GPRESSAVG: 4702000 9.81541 -76.3905 -50.1429 -78.3404 -28.2571 -29.2593 -54.9164 -26.0282 6.93761 TIMING: 4702000 CPU: 14914.2, 0.00314291/step Wall: 14914.2, 0.00314291/step, 0.260163 hours remaining, 242.160156 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: 4702000 3907.6242 20530.7221 14414.7621 243.6168 -203266.7923 2470.1804 0.0000 0.0000 52313.6017 -109386.2849 300.6470 -161699.8867 -109018.2524 299.8474 107.7588 132.7645 761381.1724 -3.9208 -3.8347 PRESSURE: 4702200 -56.7842 80.0493 -133.577 80.0504 -95.7004 -79.5602 -133.576 -79.5603 194.206 GPRESSURE: 4702200 111.52 172.225 -55.1009 50.792 -150.011 -52.6394 -163.054 7.13793 170.775 PRESSAVG: 4702200 25.3114 -67.5444 -26.17 -67.5444 -33.5319 -16.8551 -26.1699 -16.8551 3.9448 GPRESSAVG: 4702200 25.0317 -69.5483 -27.8283 -65.5827 -33.4995 -15.4905 -24.4953 -16.6633 4.3655 TIMING: 4702200 CPU: 14914.8, 0.00313344/step Wall: 14914.8, 0.00313344/step, 0.259205 hours remaining, 242.160156 MB of memory in use. ENERGY: 4702200 3997.0314 20529.1276 14469.0530 237.4444 -203153.9618 2569.2505 0.0000 0.0000 52064.4816 -109287.5734 299.2153 -161352.0549 -108920.8056 299.5650 13.9073 44.0947 761781.8389 -1.4252 -1.3675 PRESSURE: 4702400 -71.4769 -34.6331 193.811 -34.6328 48.0586 43.259 193.811 43.2596 99.3878 GPRESSURE: 4702400 -9.98507 -2.77656 157.174 -78.0802 -15.2983 1.92022 86.286 -27.9919 167.134 PRESSAVG: 4702400 -25.8558 -21.6848 -49.9934 -21.6848 -5.72124 29.9585 -49.9934 29.9584 5.09318 GPRESSAVG: 4702400 -25.3769 -20.5371 -50.2486 -23.4049 -7.23394 31.122 -49.0904 28.8579 5.98876 TIMING: 4702400 CPU: 14915.4, 0.00313947/step Wall: 14915.4, 0.00313947/step, 0.25953 hours remaining, 242.160156 MB of memory in use. ENERGY: 4702400 4030.0124 20500.2236 14533.6277 245.9738 -203355.9564 2604.7874 0.0000 0.0000 52038.5713 -109402.7603 299.0664 -161441.3316 -109033.7750 299.5786 25.3232 47.2836 762414.2444 -8.8280 -8.8740 PRESSURE: 4702600 -282.99 -15.9138 127.792 -15.9133 -156.772 81.0261 127.792 81.0263 -32.4909 GPRESSURE: 4702600 -181.985 25.0355 155.155 -55.8213 -87.3746 65.2359 146.441 43.2757 -89.6506 PRESSAVG: 4702600 -21.8851 6.64873 40.2332 6.64868 30.5145 -25.2113 40.2332 -25.2113 4.4547 GPRESSAVG: 4702600 -21.3588 5.03753 38.6862 7.30651 29.648 -29.2931 38.6511 -22.6154 4.40181 TIMING: 4702600 CPU: 14916, 0.00313741/step Wall: 14916, 0.00313741/step, 0.259185 hours remaining, 242.160156 MB of memory in use. ENERGY: 4702600 3979.9034 20647.2556 14484.3183 226.6447 -203235.2770 2433.3994 0.0000 0.0000 52163.2391 -109300.5165 299.7829 -161463.7556 -108931.8136 299.7383 -157.4178 -119.6699 761845.5005 4.3614 4.2303 PRESSURE: 4702800 148.519 -138.991 232.491 -138.991 19.3199 -93.0591 232.49 -93.0587 278.273 GPRESSURE: 4702800 151.044 -170.842 271.487 -139.293 52.134 -181.772 111.707 9.66422 331.58 PRESSAVG: 4702800 -38.7011 -12.1113 42.5153 -12.1113 9.45786 7.72792 42.5153 7.72778 -19.1474 GPRESSAVG: 4702800 -39.9889 -10.9324 44.5067 -12.7505 11.302 9.58448 42.0292 6.26074 -19.4519 TIMING: 4702800 CPU: 14916.7, 0.00313114/step Wall: 14916.7, 0.00313114/step, 0.258493 hours remaining, 242.160156 MB of memory in use. ENERGY: 4702800 4072.3792 20689.8207 14523.1212 258.5316 -203865.1765 2821.1243 0.0000 0.0000 52057.5754 -109442.6243 299.1756 -161500.1997 -109090.1492 299.7848 148.7039 178.2529 760547.6630 -16.1302 -16.0463 PRESSURE: 4703000 -48.3338 -165.775 -41.957 -165.776 -42.7744 72.4206 -41.9565 72.4212 -368.339 GPRESSURE: 4703000 27.0612 -123.013 6.16485 -126.205 1.75835 29.2619 25.1311 39.2459 -393.18 PRESSAVG: 4703000 7.0765 12.5236 -19.2615 12.5236 -23.1651 -18.492 -19.2616 -18.4919 -26.1218 GPRESSAVG: 4703000 7.88473 11.2043 -19.4381 13.7514 -22.7569 -19.1271 -17.869 -19.311 -27.1362 TIMING: 4703000 CPU: 14917.3, 0.00314589/step Wall: 14917.3, 0.00314589/step, 0.259536 hours remaining, 242.160156 MB of memory in use. ENERGY: 4703000 3994.7766 20559.8378 14550.1745 241.9710 -203359.4065 2416.4504 0.0000 0.0000 51978.9438 -109617.2523 298.7237 -161596.1961 -109257.1055 299.6092 -153.1489 -121.4535 761363.8201 -14.0701 -14.0028 PRESSURE: 4703200 -103.093 -122.089 101.655 -122.09 -69.5039 39.4128 101.656 39.4126 103.74 GPRESSURE: 4703200 -37.0922 -70.4553 161.492 -95.3534 -65.5255 -66.6957 113.519 100.782 132.677 PRESSAVG: 4703200 -21.7799 9.32098 -3.8421 9.32103 -41.3231 21.8985 -3.8421 21.8985 14.0303 GPRESSAVG: 4703200 -21.1886 9.26995 -5.1322 10.4191 -42.5601 21.15 -5.13103 21.6165 15.1387 TIMING: 4703200 CPU: 14917.9, 0.0031618/step Wall: 14917.9, 0.0031618/step, 0.260673 hours remaining, 242.160156 MB of memory in use. ENERGY: 4703200 3962.3100 20461.1023 14463.6747 237.8221 -203537.1904 2455.9309 0.0000 0.0000 52015.9854 -109940.3651 298.9366 -161956.3504 -109579.3171 298.7851 -22.9524 10.0199 759282.8080 -16.3576 -16.2033 PRESSURE: 4703400 34.6507 -96.7776 -193.689 -96.7775 -404.649 -170.551 -193.689 -170.551 33.449 GPRESSURE: 4703400 -7.39542 -57.3036 -94.4744 -115.895 -314.515 -155.335 -213.036 -140.219 80.3265 PRESSAVG: 4703400 -34.7664 -33.7304 29.4352 -33.7303 18.4673 -35.4222 29.4352 -35.4221 14.2049 GPRESSAVG: 4703400 -34.2392 -32.9208 28.5681 -36.8778 18.5878 -35.7482 30.7329 -34.2407 13.7154 TIMING: 4703400 CPU: 14918.6, 0.00314822/step Wall: 14918.6, 0.00314822/step, 0.259378 hours remaining, 242.160156 MB of memory in use. ENERGY: 4703400 3902.3564 20556.0825 14530.4012 240.2252 -203645.2793 2559.1312 0.0000 0.0000 52066.2685 -109790.8142 299.2256 -161857.0827 -109416.3242 298.9114 -112.1830 -80.5280 760950.8216 -0.6980 -0.6454 PRESSURE: 4703600 -419.674 102.013 72.2787 102.013 60.396 117.441 72.2783 117.44 -450.728 GPRESSURE: 4703600 -346.587 -26.8264 111.9 -41.9361 46.3129 126.956 -41.2505 -11.21 -416.365 PRESSAVG: 4703600 -59.7149 -4.60539 11.0616 -4.6054 32.3079 12.4023 11.0616 12.4023 -36.7287 GPRESSAVG: 4703600 -60.5293 -6.05665 11.4856 -3.33611 31.1291 13.5747 10.7212 12.6961 -35.1265 TIMING: 4703600 CPU: 14919.2, 0.00311454/step Wall: 14919.2, 0.00311454/step, 0.25643 hours remaining, 242.160156 MB of memory in use. ENERGY: 4703600 3972.6258 20527.3199 14401.5924 244.9154 -203693.4908 2726.5756 0.0000 0.0000 52130.9982 -109689.4636 299.5976 -161820.4618 -109331.7329 298.9335 -270.0020 -238.8798 762047.3759 -21.3786 -21.5089 PRESSURE: 4703800 -217.247 54.9375 -237.099 54.9382 -105.347 -435.571 -237.098 -435.571 -94.87 GPRESSURE: 4703800 -223.382 27.2165 -259.503 89.6006 -77.4197 -443.015 -137.138 -333.728 -27.6643 PRESSAVG: 4703800 48.9792 -9.70274 -1.15108 -9.70274 -50.8121 -16.7219 -1.15108 -16.7218 50.2985 GPRESSAVG: 4703800 48.1616 -7.17595 -0.346399 -9.1005 -49.2945 -15.2091 -0.584889 -18.2483 49.6074 TIMING: 4703800 CPU: 14919.8, 0.00311437/step Wall: 14919.8, 0.00311437/step, 0.256244 hours remaining, 242.160156 MB of memory in use. ENERGY: 4703800 4031.9123 20564.7008 14459.1571 267.2898 -203454.2365 2486.1106 0.0000 0.0000 52060.9600 -109584.1059 299.1951 -161645.0659 -109226.5272 299.2517 -139.1547 -109.4886 761822.6729 16.1552 16.1582 PRESSURE: 4704000 -248.416 91.99 103.137 91.9901 -203.755 115.117 103.136 115.118 -57.1585 GPRESSURE: 4704000 -268.216 103.847 105.14 116.35 -163.109 24.0273 9.21928 96.9405 -19.629 PRESSAVG: 4704000 -39.5377 23.1826 -0.789211 23.1826 2.05264 -12.3909 -0.789171 -12.391 -6.34146 GPRESSAVG: 4704000 -38.3701 21.8446 -1.74997 24.1176 2.08891 -14.0902 -3.01332 -11.5812 -7.83285 TIMING: 4704000 CPU: 14920.4, 0.00312788/step Wall: 14920.4, 0.00312788/step, 0.257181 hours remaining, 242.160156 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: 4704000 3968.7094 20609.0301 14465.5151 233.7491 -203658.8821 2541.0456 0.0000 0.0000 52320.7556 -109520.0772 300.6881 -161840.8328 -109148.7862 299.2740 -169.7763 -150.3182 762772.7383 -14.6088 -14.7047 PRESSURE: 4704200 -0.810036 122.87 24.5258 122.87 -336.123 4.30283 24.5255 4.30156 25.9762 GPRESSURE: 4704200 12.6976 132.9 -11.7825 122.288 -251.17 -58.8549 -33.3872 -81.6433 21.0521 PRESSAVG: 4704200 1.17591 46.5217 -42.4709 46.5218 -10.7403 -28.7869 -42.4709 -28.787 -33.8254 GPRESSAVG: 4704200 1.02065 45.945 -41.2975 45.7045 -9.82281 -28.0729 -41.3941 -30.0517 -34.3989 TIMING: 4704200 CPU: 14921.1, 0.00311142/step Wall: 14921.1, 0.00311142/step, 0.255655 hours remaining, 242.160156 MB of memory in use. ENERGY: 4704200 4007.7061 20615.7348 14543.0488 243.6913 -203439.3714 2490.5349 0.0000 0.0000 51840.7753 -109697.8802 297.9296 -161538.6555 -109336.4095 299.0575 -103.6523 -72.4734 761245.0156 -14.4633 -14.4004 LDB: ============= START OF LOAD BALANCING ============== 14933.5 LDB: ============== END OF LOAD BALANCING =============== 14933.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14933.5 LDB: ============= START OF LOAD BALANCING ============== 14933.8 LDB: Largest compute 7068 load 0.033681 is 17.2% of average load 0.195599 LDB: Average compute 0.004355 is 2.2% of average load 0.195599 LDB: TIME 14933.8 LOAD: AVG 0.195599 MAX 0.216275 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.918 MB LDB: TIME 14933.8 LOAD: AVG 0.195599 MAX 0.216275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: TIME 14933.8 LOAD: AVG 0.195599 MAX 0.216275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.121 MB LDB: ============== END OF LOAD BALANCING =============== 14933.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14933.8 PRESSURE: 4704400 192.615 -179.416 150.498 -179.416 61.7764 72.6968 150.499 72.6967 -57.6069 GPRESSURE: 4704400 132.471 -138.386 112.947 -166.549 138.224 105.547 102.287 83.8107 -9.14571 PRESSAVG: 4704400 0.0635595 6.02056 -18.5918 6.02057 -2.19537 -7.77563 -18.5918 -7.77566 -2.19933 GPRESSAVG: 4704400 0.311467 6.67646 -18.9143 6.54702 -4.11884 -6.01549 -20.2524 -8.53576 -1.09671 TIMING: 4704400 CPU: 14921.7, 0.003191/step Wall: 14921.7, 0.003191/step, 0.262016 hours remaining, 239.324219 MB of memory in use. ENERGY: 4704400 3942.7044 20539.4554 14515.9812 253.6410 -203921.5069 2661.8386 0.0000 0.0000 52308.2569 -109699.6295 300.6163 -162007.8864 -109337.2667 299.1186 65.5947 87.1831 760023.9496 -1.4437 -1.6347 PRESSURE: 4704600 -273.395 42.0053 71.7857 42.006 -222.75 -30.034 71.7858 -30.0334 -339.821 GPRESSURE: 4704600 -286.535 -13.5483 104.032 -93.9992 -98.311 -85.22 225.489 -1.15585 -376.97 PRESSAVG: 4704600 -14.6742 19.7549 8.31506 19.7549 17.09 -24.8303 8.31503 -24.8303 4.96825 GPRESSAVG: 4704600 -14.6339 19.1657 9.1513 17.3117 16.843 -25.0219 9.85137 -23.7088 4.90327 TIMING: 4704600 CPU: 14922.3, 0.0031291/step Wall: 14922.3, 0.0031291/step, 0.25676 hours remaining, 239.324219 MB of memory in use. ENERGY: 4704600 3955.1149 20784.0338 14431.9233 248.7490 -203621.4777 2536.4938 0.0000 0.0000 51953.2410 -109711.9219 298.5760 -161665.1629 -109355.2890 299.7530 -278.6552 -253.9387 760338.1203 2.4613 2.3708 PRESSURE: 4704800 -319.238 223.194 26.6576 223.194 -60.2108 86.4746 26.6572 86.4735 -91.6354 GPRESSURE: 4704800 -226.969 205.433 28.0792 210.354 -63.0508 -35.4236 61.9063 72.9179 -53.9454 PRESSAVG: 4704800 2.45215 -15.1786 -18.571 -15.1786 -4.98753 1.55774 -18.5709 1.55781 -18.3939 GPRESSAVG: 4704800 1.68633 -14.3197 -17.7554 -14.3193 -5.16882 -0.0761128 -18.8582 1.655 -17.2681 TIMING: 4704800 CPU: 14922.9, 0.0030994/step Wall: 14922.9, 0.0030994/step, 0.254151 hours remaining, 239.324219 MB of memory in use. ENERGY: 4704800 3917.4731 20393.5001 14479.8670 256.8017 -203388.8478 2672.8964 0.0000 0.0000 51782.8298 -109885.4798 297.5966 -161668.3096 -109521.9340 298.9298 -157.0280 -114.6550 760869.4433 -6.9764 -6.9169 PRESSURE: 4705000 44.2655 -109.922 244.858 -109.921 -312.187 308.146 244.858 308.146 -63.5369 GPRESSURE: 4705000 -4.60407 -73.2034 308.438 -65.7719 -227.127 258.125 258.616 334.503 -31.7115 PRESSAVG: 4705000 -48.4242 31.7979 48.0515 31.7978 77.5891 -21.8764 48.0515 -21.8764 -1.42046 GPRESSAVG: 4705000 -48.9634 30.171 45.7737 33.599 79.0929 -20.7281 48.1269 -21.8088 -2.43427 TIMING: 4705000 CPU: 14923.6, 0.00310908/step Wall: 14923.6, 0.00310908/step, 0.254772 hours remaining, 239.324219 MB of memory in use. ENERGY: 4705000 3944.5763 20588.3373 14564.6787 238.4199 -203609.0932 2476.4136 0.0000 0.0000 52289.6725 -109506.9949 300.5095 -161796.6674 -109134.9846 299.3980 -110.4862 -87.8141 760236.4426 9.2481 9.2317 PRESSURE: 4705200 -29.4594 -44.9744 -41.3661 -44.9754 173.599 -198.653 -41.3654 -198.653 78.1762 GPRESSURE: 4705200 -15.9218 -157.404 32.5193 -81.4283 262.951 -186.039 -115.402 -259.478 49.5571 PRESSAVG: 4705200 -10.5236 12.3742 -36.9778 12.3741 -18.1726 -18.9625 -36.9777 -18.9625 25.1942 GPRESSAVG: 4705200 -8.33564 14.2469 -35.8014 11.3569 -19.5464 -20.3683 -35.8445 -20.2343 24.5444 TIMING: 4705200 CPU: 14924.2, 0.00313516/step Wall: 14924.2, 0.00313516/step, 0.256735 hours remaining, 239.324219 MB of memory in use. ENERGY: 4705200 3996.9511 20604.9496 14485.0905 251.9752 -203445.0309 2317.5752 0.0000 0.0000 52036.3819 -109752.1074 299.0538 -161788.4893 -109385.7917 299.0140 74.1051 98.8621 759157.9157 -1.1674 -1.1125 PRESSURE: 4705400 183.044 -76.2637 -148.462 -76.264 -145.336 33.4108 -148.462 33.4104 211.074 GPRESSURE: 4705400 188.739 -60.4622 -131.152 -38.374 -7.01747 46.3613 -198.276 2.50966 162.176 PRESSAVG: 4705400 59.0632 -42.1925 38.8823 -42.1925 5.75441 -22.8762 38.8823 -22.8762 -14.8177 GPRESSAVG: 4705400 56.4552 -40.8019 40.3106 -42.3893 7.91011 -21.6111 36.7074 -21.5778 -14.9844 TIMING: 4705400 CPU: 14924.8, 0.00314114/step Wall: 14924.8, 0.00314114/step, 0.25705 hours remaining, 239.324219 MB of memory in use. ENERGY: 4705400 3900.9822 20519.3564 14393.8871 244.1194 -203291.4457 2407.8652 0.0000 0.0000 52180.8563 -109644.3790 299.8841 -161825.2353 -109281.3263 299.3009 82.9272 114.6326 760122.7368 16.6666 16.4603 PRESSURE: 4705600 -161.208 -123.927 -186.821 -123.927 89.7544 -168.936 -186.822 -168.937 183.17 GPRESSURE: 4705600 -101.775 -61.8479 -157.529 -34.6432 110.662 -102.699 -174.533 -175.815 190.599 PRESSAVG: 4705600 91.6383 -25.8074 -1.79157 -25.8074 -91.6825 -15.691 -1.79155 -15.691 -0.11787 GPRESSAVG: 4705600 92.4472 -29.9763 -2.91023 -24.7072 -93.233 -17.6911 -0.303495 -15.8399 0.735922 TIMING: 4705600 CPU: 14925.4, 0.0031405/step Wall: 14925.4, 0.0031405/step, 0.256823 hours remaining, 239.324219 MB of memory in use. ENERGY: 4705600 3925.4134 20633.7144 14474.8355 263.4178 -203290.0643 2521.4259 0.0000 0.0000 51975.6920 -109495.5652 298.7050 -161471.2572 -109139.0954 299.4032 37.2388 66.4953 760435.6291 -0.0540 -0.0166 PRESSURE: 4705800 149.667 -1.52843 -68.6356 -1.52894 23.9733 26.0549 -68.6363 26.0549 294.997 GPRESSURE: 4705800 169.926 3.44479 -42.8352 -112.323 106.691 21.2047 -149.534 -50.7331 265.515 PRESSAVG: 4705800 29.8413 -41.0155 -22.6363 -41.0154 -16.9807 -38.6442 -22.6363 -38.6442 13.9098 GPRESSAVG: 4705800 28.6577 -39.011 -22.9678 -41.1784 -16.6875 -36.7305 -22.5203 -40.2994 15.126 TIMING: 4705800 CPU: 14926.1, 0.00315165/step Wall: 14926.1, 0.00315165/step, 0.25756 hours remaining, 239.324219 MB of memory in use. ENERGY: 4705800 3977.7176 20602.1566 14467.0812 243.7439 -203851.7348 2888.8421 0.0000 0.0000 52082.2219 -109589.9715 299.3172 -161672.1934 -109231.6283 299.3859 156.2122 180.7111 761039.4074 8.9235 9.0320 PRESSURE: 4706000 383.037 -132.933 -25.9215 -132.934 170.445 444.735 -25.9211 444.735 344.081 GPRESSURE: 4706000 424.254 -47.387 -39.9723 -159.694 178.326 489.027 -36.5148 148.489 373.807 PRESSAVG: 4706000 18.9397 -73.7732 16.8554 -73.7731 -15.2768 40.6603 16.8553 40.6604 9.98558 GPRESSAVG: 4706000 20.1901 -73.8569 18.4259 -75.9758 -15.2371 40.9438 15.105 41.5345 8.63321 TIMING: 4706000 CPU: 14926.7, 0.00315108/step Wall: 14926.7, 0.00315108/step, 0.257338 hours remaining, 239.324219 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: 4706000 3897.6426 20440.0495 14581.5350 239.0031 -203478.8248 2567.2834 0.0000 0.0000 52137.9402 -109615.3711 299.6375 -161753.3113 -109246.6470 298.8024 299.1877 325.4624 760795.3778 4.5495 4.5287 PRESSURE: 4706200 39.2909 -15.4611 211.551 -15.4613 -37.5066 -16.9644 211.55 -16.964 -92.6735 GPRESSURE: 4706200 85.6676 14.7225 224.553 2.34642 -47.4359 -53.7501 163.822 -98.9508 -41.54 PRESSAVG: 4706200 27.7659 -57.0833 -10.6477 -57.0834 -37.4484 -22.4133 -10.6476 -22.4132 -7.91637 GPRESSAVG: 4706200 28.1443 -55.9123 -9.73214 -57.336 -37.762 -24.5359 -10.3185 -21.3345 -7.65925 TIMING: 4706200 CPU: 14927.3, 0.00314295/step Wall: 14927.3, 0.00314295/step, 0.2565 hours remaining, 239.324219 MB of memory in use. ENERGY: 4706200 3951.1944 20630.5082 14525.9213 254.8972 -203884.4499 2688.9195 0.0000 0.0000 52230.8825 -109602.1267 300.1716 -161833.0092 -109245.7919 299.0769 -30.2964 -1.1028 760534.6237 -5.8663 -5.7590 PRESSURE: 4706400 -252.196 -51.1084 -12.4188 -51.1086 -359.365 -74.4084 -12.4186 -74.4094 -321.496 GPRESSURE: 4706400 -264.222 -100.776 42.2389 -109.308 -266.279 -30.6226 23.9047 -51.0931 -313.599 PRESSAVG: 4706400 61.0232 3.52548 -32.7714 3.52554 -65.3711 -0.991943 -32.7714 -0.991852 20.4333 GPRESSAVG: 4706400 61.3991 2.87202 -34.0766 3.65501 -65.4485 0.521548 -33.0433 -1.53768 20.5723 TIMING: 4706400 CPU: 14928, 0.00312357/step Wall: 14928, 0.00312357/step, 0.254744 hours remaining, 239.324219 MB of memory in use. ENERGY: 4706400 4023.5236 20447.6958 14499.5452 229.0200 -203707.7222 2711.4229 0.0000 0.0000 52217.5657 -109578.9490 300.0951 -161796.5147 -109217.8602 299.7276 -311.0190 -281.3667 759730.1582 5.3618 5.5077 PRESSURE: 4706600 -119.095 61.2346 -10.8296 61.2354 -114.231 76.8933 -10.8291 76.8926 131.898 GPRESSURE: 4706600 -103.836 -5.56867 -50.3655 3.25957 -82.7466 88.7547 37.7431 -21.254 149.053 PRESSAVG: 4706600 -38.0665 -16.2993 -20.857 -16.2992 56.2222 -30.5853 -20.857 -30.5855 1.49241 GPRESSAVG: 4706600 -36.9876 -15.7874 -20.2793 -15.1297 56.4109 -31.3946 -22.2132 -29.2084 0.239674 TIMING: 4706600 CPU: 14928.6, 0.00312766/step Wall: 14928.6, 0.00312766/step, 0.254905 hours remaining, 239.324219 MB of memory in use. ENERGY: 4706600 4054.1971 20574.0761 14471.5630 240.1175 -203461.6002 2404.5906 0.0000 0.0000 51926.9695 -109790.0864 298.4250 -161717.0559 -109427.5784 298.8880 -33.8093 -12.5096 760076.2595 6.5494 6.5543 PRESSURE: 4706800 -30.8952 97.2999 -215.416 97.2996 -80.0828 124.929 -215.417 124.928 -87.6868 GPRESSURE: 4706800 -22.9733 193.766 -192.742 108.418 -42.4462 200.232 -175.312 52.5188 -41.8182 PRESSAVG: 4706800 -34.7829 -22.9604 -74.4206 -22.9604 33.0741 12.8368 -74.4206 12.8368 -9.11637 GPRESSAVG: 4706800 -35.6572 -24.4077 -75.5765 -23.8352 34.1776 12.7647 -73.9365 12.785 -9.1377 TIMING: 4706800 CPU: 14929.2, 0.00313399/step Wall: 14929.2, 0.00313399/step, 0.255246 hours remaining, 239.324219 MB of memory in use. ENERGY: 4706800 3924.4168 20570.2873 14403.2417 233.4906 -203388.6306 2424.1747 0.0000 0.0000 52004.8101 -109828.2095 298.8724 -161833.0196 -109468.6584 299.0521 -66.2216 -35.7459 759927.4283 -3.6084 -3.5391 PRESSURE: 4707000 389.633 -120.739 25.717 -120.739 707.192 -16.7881 25.7168 -16.7889 162.349 GPRESSURE: 4707000 471.18 -207.473 7.20626 -100.242 707.59 -35.1528 79.0178 58.0008 164.799 PRESSAVG: 4707000 -3.63089 21.7603 -102.317 21.7603 2.68637 40.7604 -102.317 40.7603 -14.3311 GPRESSAVG: 4707000 -4.01578 22.5423 -101.083 22.6187 1.83079 41.3968 -100.307 41.6525 -13.7489 TIMING: 4707000 CPU: 14929.8, 0.00314552/step Wall: 14929.8, 0.00314552/step, 0.25601 hours remaining, 239.324219 MB of memory in use. ENERGY: 4707000 3901.4869 20521.4805 14426.1465 251.0640 -203725.2403 2776.2190 0.0000 0.0000 52106.7683 -109742.0751 299.4583 -161848.8434 -109371.5091 298.5288 419.7249 447.8561 758090.2357 -5.0919 -5.3113 PRESSURE: 4707200 -18.9516 94.9088 -123.584 94.9093 -53.5189 -320.067 -123.585 -320.068 64.4871 GPRESSURE: 4707200 80.1336 40.0453 -113.108 108.895 -70.0759 -353.336 -81.7163 -218.656 64.7919 PRESSAVG: 4707200 -54.4305 -17.154 -50.4761 -17.154 19.9846 1.90934 -50.4761 1.90932 -2.35057 GPRESSAVG: 4707200 -54.1099 -18.4903 -51.0881 -17.4535 19.5599 0.668879 -51.1228 1.02874 -2.19989 TIMING: 4707200 CPU: 14930.5, 0.00316499/step Wall: 14930.5, 0.00316499/step, 0.257419 hours remaining, 239.324219 MB of memory in use. ENERGY: 4707200 3997.7878 20432.3645 14520.0198 238.1163 -203030.7040 2204.2665 0.0000 0.0000 52011.7194 -109626.4297 298.9121 -161638.1490 -109260.1764 299.3679 -2.6611 24.9498 761122.6802 -12.2655 -12.2500 PRESSURE: 4707400 -18.5542 -106.933 25.7785 -106.933 -67.627 -67.1033 25.7786 -67.1028 256.564 GPRESSURE: 4707400 92.2714 -38.9601 -86.0566 -145.616 4.51762 -111.2 -10.9139 30.5849 154.666 PRESSAVG: 4707400 14.3724 -32.4317 -16.5238 -32.4317 17.1451 -22.6102 -16.5239 -22.6102 -10.4469 GPRESSAVG: 4707400 14.8085 -29.9816 -16.6024 -32.427 16.4201 -20.7319 -18.469 -21.3423 -10.1842 TIMING: 4707400 CPU: 14931.1, 0.00314739/step Wall: 14931.1, 0.00314739/step, 0.255813 hours remaining, 239.324219 MB of memory in use. ENERGY: 4707400 3970.5310 20593.9126 14468.0255 234.6059 -203348.1498 2576.7019 0.0000 0.0000 51963.2565 -109541.1162 298.6335 -161504.3727 -109174.9507 298.9938 56.7943 83.8182 760555.4830 7.0235 7.0148 PRESSURE: 4707600 75.5555 -40.2022 135.009 -40.2025 -324.362 18.5154 135.009 18.5147 464.39 GPRESSURE: 4707600 32.4818 46.8577 81.1146 -60.8156 -208.861 0.726636 170.37 64.867 484.544 PRESSAVG: 4707600 -8.61824 3.34076 -6.41648 3.34081 -7.74629 14.945 -6.41646 14.945 -4.26935 GPRESSAVG: 4707600 -9.28627 2.93164 -6.67125 3.29519 -7.20062 13.3699 -6.19085 13.1758 -4.46506 TIMING: 4707600 CPU: 14931.7, 0.00315662/step Wall: 14931.7, 0.00315662/step, 0.256387 hours remaining, 239.324219 MB of memory in use. ENERGY: 4707600 3927.8877 20517.0031 14438.5189 237.3676 -203684.7875 2790.9028 0.0000 0.0000 52099.7173 -109673.3900 299.4178 -161773.1074 -109317.0888 298.8834 71.8613 102.7216 761456.8891 -6.8780 -6.9840 PRESSURE: 4707800 -236.707 39.4831 -4.23179 39.483 -79.713 68.0097 -4.23168 68.0108 -513.417 GPRESSURE: 4707800 -212.6 30.9365 70.5534 123.707 -82.8789 -5.33841 62.9873 205.19 -432.821 PRESSAVG: 4707800 14.707 -40.0265 0.181134 -40.0264 -20.342 -1.2758 0.181203 -1.27581 23.603 GPRESSAVG: 4707800 15.382 -37.3521 2.1739 -40.7081 -20.8934 -1.22181 1.3027 -0.681479 23.4018 TIMING: 4707800 CPU: 14932.4, 0.00312316/step Wall: 14932.4, 0.00312316/step, 0.253497 hours remaining, 239.324219 MB of memory in use. ENERGY: 4707800 4056.6980 20612.2316 14474.9484 241.2756 -203607.0758 2436.1057 0.0000 0.0000 52094.6159 -109691.2006 299.3885 -161785.8165 -109326.0766 299.1900 -276.6123 -242.7667 762024.2588 5.9893 5.9635 PRESSURE: 4708000 124.774 -6.2566 -59.1622 -6.25679 119.13 -190.108 -59.1619 -190.108 -266.34 GPRESSURE: 4708000 166.107 -6.24109 -17.7983 28.1854 143.299 -223.083 -63.0836 -218.428 -248.828 PRESSAVG: 4708000 26.8021 50.2679 6.18777 50.2679 18.2832 2.27007 6.1878 2.27011 7.8919 GPRESSAVG: 4708000 26.5144 48.3157 3.15611 49.4133 18.1115 1.94392 3.85242 0.888708 8.05848 TIMING: 4708000 CPU: 14933, 0.00313586/step Wall: 14933, 0.00313586/step, 0.254353 hours remaining, 239.324219 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: 4708000 4020.3290 20565.1590 14462.0483 241.2714 -203979.1163 2839.8069 0.0000 0.0000 52082.8172 -109767.6845 299.3207 -161850.5016 -109408.3350 299.3610 -7.4789 20.1928 759513.9297 17.6591 17.5614 PRESSURE: 4708200 -78.3575 -65.67 -184.697 -65.6696 185.767 -14.9802 -184.697 -14.9802 -64.7496 GPRESSURE: 4708200 -50.8484 -147.228 -186.628 -8.73196 219.174 -65.8099 -295.997 84.1486 -46.8644 PRESSAVG: 4708200 38.9153 65.2162 -4.42768 65.2162 -3.3957 10.4258 -4.42765 10.4258 7.37257 GPRESSAVG: 4708200 38.1837 62.855 -2.02991 68.9914 -3.24573 11.5917 -3.12063 10.4161 7.47735 TIMING: 4708200 CPU: 14933.6, 0.00311714/step Wall: 14933.6, 0.00311714/step, 0.252661 hours remaining, 239.324219 MB of memory in use. ENERGY: 4708200 4033.7581 20486.4601 14456.4527 222.2705 -203502.1189 2467.1618 0.0000 0.0000 51990.2316 -109845.7841 298.7886 -161836.0156 -109484.6105 298.9721 14.2200 40.4870 760497.3099 14.2974 14.1384 LDB: ============= START OF LOAD BALANCING ============== 14946.1 LDB: ============== END OF LOAD BALANCING =============== 14946.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14946.1 LDB: ============= START OF LOAD BALANCING ============== 14946.4 LDB: Largest compute 7068 load 0.034531 is 17.7% of average load 0.195495 LDB: Average compute 0.004370 is 2.2% of average load 0.195495 LDB: TIME 14946.4 LOAD: AVG 0.195495 MAX 0.217086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.793 MB LDB: TIME 14946.4 LOAD: AVG 0.195495 MAX 0.217086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.832 MB LDB: TIME 14946.4 LOAD: AVG 0.195495 MAX 0.217086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.832 MB LDB: ============== END OF LOAD BALANCING =============== 14946.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14946.4 PRESSURE: 4708400 4.90195 275.552 -104.151 275.551 -241.304 5.18739 -104.151 5.18645 375.668 GPRESSURE: 4708400 72.5069 110.709 -120.594 248.831 -221.446 84.6555 -55.9366 91.6572 377.388 PRESSAVG: 4708400 6.75417 35.1461 9.01164 35.1461 -11.3994 -16.2102 9.01163 -16.2102 -5.97216 GPRESSAVG: 4708400 6.81011 36.7903 6.47245 32.5914 -11.5658 -16.9351 8.20007 -16.2179 -6.1005 TIMING: 4708400 CPU: 14934.2, 0.00320683/step Wall: 14934.2, 0.00320683/step, 0.259753 hours remaining, 239.632812 MB of memory in use. ENERGY: 4708400 3996.3974 20564.0380 14499.5810 234.2941 -203468.4050 2458.5013 0.0000 0.0000 51740.7314 -109974.8617 297.3547 -161715.5931 -109615.4309 298.7495 46.4221 76.1496 760848.0468 -3.5391 -3.6187 PRESSURE: 4708600 66.1382 -162.493 -3.41545 -162.492 -201.272 31.1982 -3.41493 31.1986 26.0939 GPRESSURE: 4708600 173.279 -171.058 65.009 -146.518 -311.353 -25.2351 33.0923 -56.3325 102.257 PRESSAVG: 4708600 35.0848 -34.2363 -0.755453 -34.2363 -40.3087 -64.8963 -0.755496 -64.8964 19.8692 GPRESSAVG: 4708600 34.1471 -34.7101 0.41218 -32.1211 -40.0899 -65.4556 -1.38868 -63.6926 20.5703 TIMING: 4708600 CPU: 14934.9, 0.00314747/step Wall: 14934.9, 0.00314747/step, 0.254771 hours remaining, 239.835938 MB of memory in use. ENERGY: 4708600 4039.5522 20537.2018 14483.8726 254.5625 -203674.9206 2552.2874 0.0000 0.0000 52030.9177 -109776.5265 299.0224 -161807.4442 -109422.1268 298.6741 -36.3466 -11.9386 760951.6657 4.8818 4.8759 PRESSURE: 4708800 190.536 -162.936 -98.9904 -162.935 56.5635 -129.668 -98.9911 -129.667 -127.473 GPRESSURE: 4708800 262.675 -153.291 -84.737 -73.9321 38.4202 -126.741 63.0793 -154.589 -90.6261 PRESSAVG: 4708800 97.2453 -41.0666 9.58794 -41.0667 -58.4364 -23.0251 9.58793 -23.0252 -16.2327 GPRESSAVG: 4708800 99.2566 -39.4311 9.5357 -41.6269 -59.9635 -20.9445 11.0244 -23.2282 -16.8217 TIMING: 4708800 CPU: 14935.5, 0.00313455/step Wall: 14935.5, 0.00313455/step, 0.25355 hours remaining, 239.835938 MB of memory in use. ENERGY: 4708800 3981.0560 20529.7612 14408.0741 234.3716 -203716.9693 2587.4120 0.0000 0.0000 52030.0373 -109946.2571 299.0173 -161976.2944 -109586.2392 298.4600 39.8754 70.1565 760086.4487 7.5254 7.4904 PRESSURE: 4709000 52.5063 22.6339 -76.0761 22.6346 -119.384 5.92701 -76.0757 5.92776 168.239 GPRESSURE: 4709000 29.6903 57.0834 -199.546 -62.1248 23.7409 11.9114 -44.4638 -52.4771 150.174 PRESSAVG: 4709000 -14.3086 -8.911 22.0391 -8.91095 -17.5527 -7.32168 22.0391 -7.32178 6.68397 GPRESSAVG: 4709000 -14.8709 -8.59782 21.9355 -9.44876 -16.0237 -6.32208 20.4936 -9.55641 6.19812 TIMING: 4709000 CPU: 14936.1, 0.00314456/step Wall: 14936.1, 0.00314456/step, 0.254186 hours remaining, 239.835938 MB of memory in use. ENERGY: 4709000 3957.0721 20567.7369 14445.4990 247.9639 -203840.9878 2807.4831 0.0000 0.0000 51739.3030 -110075.9299 297.3465 -161815.2329 -109713.4469 297.7742 33.7872 67.8683 759050.1527 -8.3925 -8.2322 PRESSURE: 4709200 330.774 -354.78 -115.809 -354.78 -91.2434 51.1159 -115.809 51.1155 308.172 GPRESSURE: 4709200 309.343 -293.388 -167.661 -373.982 67.2183 4.28951 -81.4186 -1.15983 249.903 PRESSAVG: 4709200 -22.0911 -72.1353 31.8766 -72.1353 9.66248 53.7396 31.8766 53.7396 -15.7787 GPRESSAVG: 4709200 -23.1758 -74.2095 30.4941 -71.4228 9.93006 50.2806 31.8571 55.3003 -15.402 TIMING: 4709200 CPU: 14936.8, 0.00315519/step Wall: 14936.8, 0.00315519/step, 0.254869 hours remaining, 239.835938 MB of memory in use. ENERGY: 4709200 3942.4196 20509.1991 14521.0405 265.7778 -204022.4830 2921.9650 0.0000 0.0000 51944.4062 -109917.6748 298.5252 -161862.0811 -109551.8802 298.0296 182.5674 208.8213 758823.5504 -9.4024 -9.5493 PRESSURE: 4709400 2.00034 126.016 157.379 126.017 -208.989 -95.2746 157.379 -95.275 -429.009 GPRESSURE: 4709400 -34.8014 42.3052 144.648 139.593 -117.184 -94.6806 186.026 -0.486471 -396.519 PRESSAVG: 4709400 21.4927 -75.043 75.6077 -75.0431 -23.3921 -31.2578 75.6077 -31.2577 -3.15457 GPRESSAVG: 4709400 22.3445 -75.7871 76.7679 -75.1497 -24.4728 -29.295 76.6694 -30.0082 -2.73967 TIMING: 4709400 CPU: 14937.4, 0.00313889/step Wall: 14937.4, 0.00313889/step, 0.253378 hours remaining, 239.835938 MB of memory in use. ENERGY: 4709400 3999.1294 20351.7048 14523.2340 245.3945 -203526.2784 2414.2245 0.0000 0.0000 52173.0839 -109819.5073 299.8394 -161992.5912 -109456.7762 298.2134 -211.9993 -182.8348 761702.3000 -1.6847 -1.6226 PRESSURE: 4709600 -560.443 -48.0525 92.5319 -48.0518 -83.4216 44.5628 92.5324 44.5641 -562.979 GPRESSURE: 4709600 -546.116 -91.3779 30.787 -135.841 -2.95022 54.5168 93.5513 33.1966 -563.315 PRESSAVG: 4709600 -50.6918 43.3854 43.085 43.3855 21.7485 -8.52214 43.0849 -8.52214 7.92768 GPRESSAVG: 4709600 -51.4567 47.2615 43.2887 40.4412 23.1001 -9.35012 42.274 -8.46039 7.03725 TIMING: 4709600 CPU: 14938, 0.00315682/step Wall: 14938, 0.00315682/step, 0.25465 hours remaining, 239.835938 MB of memory in use. ENERGY: 4709600 4131.8172 20461.4206 14440.4182 244.9360 -203436.9411 2423.6140 0.0000 0.0000 51984.6821 -109750.0530 298.7567 -161734.7351 -109395.7066 298.4462 -402.2813 -370.7935 761325.0050 -7.0052 -7.1064 PRESSURE: 4709800 -61.0718 -67.2555 -62.954 -67.2551 176.142 142.657 -62.9535 142.657 117.792 GPRESSURE: 4709800 -15.6883 -44.6722 -137.788 -25.9811 169.801 79.0653 -24.8251 155.819 149.62 PRESSAVG: 4709800 13.2616 -20.9168 19.1229 -20.9167 -16.4875 -47.6534 19.1229 -47.6535 -4.90396 GPRESSAVG: 4709800 13.7681 -22.771 17.4858 -18.4913 -16.737 -47.1288 20.8779 -47.6887 -4.64521 TIMING: 4709800 CPU: 14938.7, 0.00314851/step Wall: 14938.7, 0.00314851/step, 0.253805 hours remaining, 239.835938 MB of memory in use. ENERGY: 4709800 3938.4411 20478.1239 14528.8949 263.4491 -203812.9675 2814.3695 0.0000 0.0000 51999.5941 -109790.0949 298.8424 -161789.6890 -109425.8324 298.3554 77.6209 101.2443 761353.1195 -2.7100 -2.5381 PRESSURE: 4710000 -11.5814 -73.111 250.62 -73.111 -243.288 34.961 250.619 34.9595 -75.0058 GPRESSURE: 4710000 9.52911 -19.5962 259.896 -88.3061 -167.794 45.573 224.016 35.1852 -86.3234 PRESSAVG: 4710000 39.1129 -6.77635 -0.928483 -6.77638 -17.7766 5.66076 -0.928524 5.6607 -22.8663 GPRESSAVG: 4710000 39.2065 -6.6026 0.182294 -7.1467 -18.4432 5.96751 -2.91824 4.20683 -22.1453 TIMING: 4710000 CPU: 14939.3, 0.00313995/step Wall: 14939.3, 0.00313995/step, 0.25294 hours remaining, 239.835938 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: 4710000 4012.6062 20529.0232 14445.9367 261.3181 -203309.6105 2340.6005 0.0000 0.0000 51944.9328 -109775.1930 298.5282 -161720.1258 -109421.8527 298.6140 -109.9583 -81.5295 761832.1455 -0.5100 -0.4607 PRESSURE: 4710200 82.9691 129.641 273.059 129.641 -212.756 13.9104 273.059 13.9115 27.5534 GPRESSURE: 4710200 45.2028 130.3 288.911 68.5884 -93.1756 6.66585 213.778 53.144 28.4494 PRESSAVG: 4710200 45.0396 16.1322 17.804 16.1322 -39.1987 -5.29088 17.804 -5.29085 8.33235 GPRESSAVG: 4710200 44.3436 16.7416 19.5471 16.5493 -37.8424 -5.65366 18.8478 -3.37208 7.84424 TIMING: 4710200 CPU: 14939.9, 0.00313605/step Wall: 14939.9, 0.00313605/step, 0.252452 hours remaining, 239.835938 MB of memory in use. ENERGY: 4710200 4005.7192 20308.5546 14542.8385 243.8252 -203998.6184 2910.5031 0.0000 0.0000 51980.0917 -110007.0861 298.7303 -161987.1778 -109640.6637 298.3412 -34.0780 -6.5078 761851.7486 4.7244 4.7818 PRESSURE: 4710400 -101.188 -65.2268 187.051 -65.2259 240.411 163.081 187.05 163.08 -235.191 GPRESSURE: 4710400 -150.205 -114.706 196.616 21.5249 274.081 172.547 -18.1816 105.633 -144.003 PRESSAVG: 4710400 39.6277 10.984 -23.1515 10.9841 -1.24079 14.3921 -23.1515 14.3921 -28.4773 GPRESSAVG: 4710400 40.5756 11.8801 -26.2165 11.6041 -3.22315 13.821 -22.7915 14.0353 -27.7065 TIMING: 4710400 CPU: 14940.5, 0.00313585/step Wall: 14940.5, 0.00313585/step, 0.252262 hours remaining, 239.835938 MB of memory in use. ENERGY: 4710400 3958.3581 20605.4914 14555.2153 231.3368 -203213.4273 2373.2520 0.0000 0.0000 51752.8354 -109736.9383 297.4243 -161489.7738 -109381.6933 298.1376 -31.9895 -6.7091 761394.0638 3.3032 3.2153 PRESSURE: 4710600 62.3809 1.64814 -32.8978 1.64796 154.847 -62.0683 -32.8978 -62.068 274.169 GPRESSURE: 4710600 166.704 45.5702 -25.3225 73.1291 195.982 -106.898 -115.503 -40.2446 236.563 PRESSAVG: 4710600 -5.34317 17.1773 -20.1785 17.1773 -12.1452 -34.3256 -20.1786 -34.3257 13.9509 GPRESSAVG: 4710600 -5.37361 15.8491 -18.6938 18.5475 -11.1424 -32.0204 -23.015 -37.5612 13.048 TIMING: 4710600 CPU: 14941.2, 0.00313158/step Wall: 14941.2, 0.00313158/step, 0.251744 hours remaining, 239.835938 MB of memory in use. ENERGY: 4710600 3978.3976 20387.1479 14603.1631 253.8198 -203500.5046 2684.7136 0.0000 0.0000 51735.4012 -109857.8615 297.3241 -161593.2627 -109497.6698 298.0930 163.7988 199.7495 761659.6243 -1.1792 -1.1560 PRESSURE: 4710800 263.068 76.7125 -14.3154 76.7126 226.798 162.986 -14.3147 162.986 242.714 GPRESSURE: 4710800 242.07 24.0751 -33.1756 32.8785 335.678 239.502 108.946 76.1225 243.027 PRESSAVG: 4710800 -22.1101 1.53968 51.3877 1.53969 -15.2928 -43.0506 51.3877 -43.0506 9.44011 GPRESSAVG: 4710800 -22.3713 1.40673 51.6463 -1.49192 -14.4501 -43.9519 54.7969 -41.1829 9.34286 TIMING: 4710800 CPU: 14941.8, 0.00312455/step Wall: 14941.8, 0.00312455/step, 0.251006 hours remaining, 239.835938 MB of memory in use. ENERGY: 4710800 4025.7325 20430.9354 14516.0261 250.4128 -203702.0929 2771.6425 0.0000 0.0000 51816.6619 -109890.6817 297.7911 -161707.3436 -109542.4684 297.9870 244.1930 273.5915 759861.4954 -9.3209 -9.1595 PRESSURE: 4711000 353.554 1.48175 -42.9205 1.48135 19.6559 33.134 -42.9196 33.1334 353.404 GPRESSURE: 4711000 348.585 -4.30069 -38.9114 -113.132 42.3356 22.0593 -83.0322 -1.9825 437.164 PRESSAVG: 4711000 -31.9476 -38.0191 15.6038 -38.019 -27.4786 -16.1637 15.6037 -16.1637 0.451 GPRESSAVG: 4711000 -32.6947 -37.8217 15.9612 -37.9171 -27.5781 -16.3286 13.593 -13.698 1.42556 TIMING: 4711000 CPU: 14942.4, 0.0031351/step Wall: 14942.4, 0.0031351/step, 0.251679 hours remaining, 239.835938 MB of memory in use. ENERGY: 4711000 4021.5541 20550.0990 14395.1511 231.7604 -203466.4498 2661.6008 0.0000 0.0000 51782.4758 -109823.8085 297.5946 -161606.2843 -109465.8637 298.5815 242.2046 276.0282 761920.1474 -19.6584 -19.6158 PRESSURE: 4711200 122.765 36.768 174.093 36.7676 161.465 5.47569 174.094 5.47627 53.4219 GPRESSURE: 4711200 199.076 -37.4319 67.3125 2.81853 143.928 45.8077 265.631 -49.5012 49.8385 PRESSAVG: 4711200 -65.0587 -22.1179 15.8477 -22.118 39.1231 24.0741 15.8477 24.0742 9.34329 GPRESSAVG: 4711200 -65.1841 -22.9426 15.184 -21.8179 38.584 25.2729 16.3078 21.0749 9.54281 TIMING: 4711200 CPU: 14943, 0.00311943/step Wall: 14943, 0.00311943/step, 0.250248 hours remaining, 239.835938 MB of memory in use. ENERGY: 4711200 3994.4337 20622.4990 14520.2204 234.8763 -203248.3165 2697.7169 0.0000 0.0000 51572.9869 -109605.5833 296.3907 -161178.5703 -109257.9992 298.9385 112.5507 130.9476 761737.3911 -5.5308 -5.6857 PRESSURE: 4711400 152.891 3.36934 -145.731 3.37056 137.366 16.7839 -145.731 16.7837 181.304 GPRESSURE: 4711400 145.705 10.4193 -128.648 -14.6867 174.723 9.91403 -21.1941 -24.4232 232.947 PRESSAVG: 4711400 8.79958 2.95468 4.97549 2.95468 14.6434 20.0417 4.97541 20.0416 19.3412 GPRESSAVG: 4711400 8.75779 2.35467 5.09633 3.27903 15.9244 19.1704 6.00342 19.9072 18.7223 TIMING: 4711400 CPU: 14943.7, 0.00313828/step Wall: 14943.7, 0.00313828/step, 0.251585 hours remaining, 239.835938 MB of memory in use. ENERGY: 4711400 3920.7126 20570.7491 14540.8922 245.3148 -203429.3196 2469.7055 0.0000 0.0000 52006.4228 -109675.5227 298.8816 -161681.9455 -109316.0416 298.5421 157.1869 184.4584 761244.4788 14.2614 14.4681 PRESSURE: 4711600 -688.093 179.625 -116.726 179.625 -370.075 202.041 -116.726 202.04 195.195 GPRESSURE: 4711600 -614.791 136.322 -152.258 83.2485 -346.538 260.416 -156.203 228.796 172.873 PRESSAVG: 4711600 -23.6444 3.10853 20.2415 3.10853 5.89968 48.674 20.2414 48.6742 18.1006 GPRESSAVG: 4711600 -22.6793 3.17572 19.4249 2.8515 4.29928 50.8077 22.0104 49.6635 18.5242 TIMING: 4711600 CPU: 14944.3, 0.00313236/step Wall: 14944.3, 0.00313236/step, 0.250937 hours remaining, 239.835938 MB of memory in use. ENERGY: 4711600 4009.1312 20458.5680 14525.7134 244.4465 -203381.5837 2551.4164 0.0000 0.0000 51882.6875 -109709.6207 298.1705 -161592.3082 -109346.9869 298.6297 -287.6577 -262.8188 763285.5082 0.1186 0.0480 PRESSURE: 4711800 -45.2154 -24.6121 -89.6818 -24.6122 -205.905 0.296986 -89.682 0.296442 92.2427 GPRESSURE: 4711800 -6.62234 -36.2283 -24.3823 34.2543 -121.209 -9.98171 106.042 11.1483 57.7638 PRESSAVG: 4711800 8.95676 -52.9804 -25.9008 -52.9804 -4.36494 13.6628 -25.9008 13.6628 12.7437 GPRESSAVG: 4711800 9.0826 -50.5532 -25.1143 -52.6193 -3.8486 10.2804 -25.1319 15.8871 11.6451 TIMING: 4711800 CPU: 14944.9, 0.00312882/step Wall: 14944.9, 0.00312882/step, 0.250479 hours remaining, 239.835938 MB of memory in use. ENERGY: 4711800 4002.8662 20393.1955 14528.5767 255.2201 -202981.2489 2362.3036 0.0000 0.0000 51784.4914 -109654.5954 297.6062 -161439.0868 -109292.0278 298.9508 -52.9592 -23.3559 763046.7125 5.7785 5.6264 PRESSURE: 4712000 -273.55 -83.2347 -59.9746 -83.2344 -3.06141 -52.1532 -59.975 -52.1522 -370.901 GPRESSURE: 4712000 -238.577 -78.5444 -94.397 -28.7636 43.9905 -26.5733 -30.3819 -48.5789 -360.33 PRESSAVG: 4712000 29.3193 -24.9625 -37.3634 -24.9625 -17.8772 25.2924 -37.3633 25.2924 10.296 GPRESSAVG: 4712000 28.6712 -25.9047 -37.3637 -23.6371 -18.1558 26.287 -37.1191 21.6824 10.4628 TIMING: 4712000 CPU: 14945.5, 0.00312131/step Wall: 14945.5, 0.00312131/step, 0.249705 hours remaining, 239.835938 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: 4712000 3991.6446 20474.5264 14502.8914 254.0306 -203312.5139 2542.7500 0.0000 0.0000 51990.9987 -109555.6723 298.7930 -161546.6710 -109189.3398 298.6988 -215.8373 -184.9720 761222.2822 7.2460 6.9927 PRESSURE: 4712200 84.5315 103.612 175.288 103.613 -235.501 -63.8417 175.288 -63.8421 -130.59 GPRESSURE: 4712200 139.19 -43.762 129.727 24.4655 -154.166 -73.4226 -52.6621 -130.593 -171.165 PRESSAVG: 4712200 36.5633 -24.4065 50.8837 -24.4065 -8.8115 -70.0031 50.8838 -70.0031 16.0749 GPRESSAVG: 4712200 37.8431 -25.2746 49.7376 -25.7557 -9.64163 -70.7205 49.2396 -68.2718 16.0474 TIMING: 4712200 CPU: 14946.2, 0.00310998/step Wall: 14946.2, 0.00310997/step, 0.248625 hours remaining, 239.835938 MB of memory in use. ENERGY: 4712200 3985.5679 20612.2450 14514.9663 226.9164 -203628.5407 2644.9816 0.0000 0.0000 51956.3117 -109687.5519 298.5936 -161643.8636 -109327.3831 299.0772 -93.8533 -62.0470 759973.0530 14.6089 14.7496 LDB: ============= START OF LOAD BALANCING ============== 14958.6 LDB: ============== END OF LOAD BALANCING =============== 14958.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14958.6 LDB: ============= START OF LOAD BALANCING ============== 14958.9 LDB: Largest compute 7069 load 0.036249 is 18.5% of average load 0.195456 LDB: Average compute 0.004347 is 2.2% of average load 0.195456 LDB: TIME 14958.9 LOAD: AVG 0.195456 MAX 0.213952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.688 MB LDB: TIME 14958.9 LOAD: AVG 0.195456 MAX 0.213952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.891 MB LDB: TIME 14958.9 LOAD: AVG 0.195456 MAX 0.213952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.891 MB LDB: ============== END OF LOAD BALANCING =============== 14958.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14958.9 PRESSURE: 4712400 -122.05 171.27 132.237 171.27 -340.355 -24.5147 132.237 -24.5149 324.46 GPRESSURE: 4712400 -38.1026 140.333 171.858 199.245 -314.933 1.08068 212.447 -42.2496 271.953 PRESSAVG: 4712400 -30.2582 -25.715 13.0776 -25.7151 34.7799 18.6295 13.0777 18.6295 2.28177 GPRESSAVG: 4712400 -31.6219 -24.6564 14.3062 -24.0321 35.951 19.2823 14.427 19.7599 2.39957 TIMING: 4712400 CPU: 14946.8, 0.00318315/step Wall: 14946.8, 0.00318315/step, 0.254298 hours remaining, 239.894531 MB of memory in use. ENERGY: 4712400 3907.8622 20561.5833 14565.1285 252.5646 -203568.9244 2671.9783 0.0000 0.0000 51983.9409 -109625.8666 298.7524 -161609.8075 -109263.5243 298.8515 -45.9815 -27.0277 761266.9760 2.2678 2.2429 PRESSURE: 4712600 -50.3554 -157.325 67.5644 -157.325 75.4623 -190.218 67.5643 -190.218 84.4096 GPRESSURE: 4712600 -68.737 -175.753 38.2568 -87.3036 151.013 -181.488 45.7426 -62.0082 120.132 PRESSAVG: 4712600 -11.9958 -22.27 35.3012 -22.27 -17.5659 -23.3081 35.3012 -23.308 2.08128 GPRESSAVG: 4712600 -11.8652 -23.1349 33.8796 -22.5537 -18.4106 -24.0601 33.5105 -24.6428 2.68576 TIMING: 4712600 CPU: 14947.4, 0.00311033/step Wall: 14947.4, 0.00311033/step, 0.248308 hours remaining, 239.894531 MB of memory in use. ENERGY: 4712600 3987.0228 20448.4792 14548.5569 232.2234 -203591.7104 2738.9899 0.0000 0.0000 52090.3785 -109546.0598 299.3641 -161636.4383 -109183.7081 299.0397 36.5055 67.4691 761197.2247 -9.1601 -9.1967 PRESSURE: 4712800 -52.4401 432.774 32.2579 432.773 55.1455 80.3109 32.2579 80.3118 345.894 GPRESSURE: 4712800 0.995479 428.69 106.505 400.853 95.246 5.05676 -51.1754 185.128 318.274 PRESSAVG: 4712800 -75.1644 -65.1633 65.6492 -65.1632 16.654 -34.7787 65.6492 -34.7787 -8.29807 GPRESSAVG: 4712800 -75.5053 -65.2545 67.7108 -65.2013 16.3757 -34.0459 65.544 -30.8648 -8.19536 TIMING: 4712800 CPU: 14948, 0.00311323/step Wall: 14948, 0.00311323/step, 0.248366 hours remaining, 240.152344 MB of memory in use. ENERGY: 4712800 4008.4735 20611.3760 14511.9090 220.6187 -203786.5141 2724.2259 0.0000 0.0000 52234.5460 -109475.3651 300.1927 -161709.9111 -109111.5113 299.2697 116.1997 138.1720 761703.2148 -22.2695 -22.4416 PRESSURE: 4713000 -331.656 -75.1592 7.61751 -75.1601 -17.1879 244.764 7.61778 244.764 -379.277 GPRESSURE: 4713000 -244.156 -5.35994 -29.9776 -121.707 3.34615 202.243 129.623 175.697 -402.306 PRESSAVG: 4713000 -2.74086 15.145 46.3955 15.1451 -24.9318 56.324 46.3955 56.324 22.6729 GPRESSAVG: 4713000 -2.94135 14.7894 46.2621 13.5606 -23.8175 55.2516 48.4274 53.1822 22.2869 TIMING: 4713000 CPU: 14948.7, 0.00312373/step Wall: 14948.7, 0.00312373/step, 0.24903 hours remaining, 240.152344 MB of memory in use. ENERGY: 4713000 4027.9757 20454.3006 14509.9878 244.7509 -203221.8485 2361.1036 0.0000 0.0000 51983.2114 -109640.5185 298.7482 -161623.7299 -109280.3499 299.0183 -242.7072 -214.3722 761465.5233 -1.6666 -1.4907 PRESSURE: 4713200 41.3729 133.354 43.1659 133.354 100.747 143.764 43.1655 143.763 -390.856 GPRESSURE: 4713200 133.581 19.9293 -70.0858 163.595 43.8815 202.851 -19.0507 157.002 -341.101 PRESSAVG: 4713200 -59.703 45.2543 19.3944 45.2543 30.7931 42.8443 19.3944 42.8443 8.8989 GPRESSAVG: 4713200 -59.5369 46.6982 18.5258 47.035 30.2228 43.2892 18.2729 42.8634 8.65752 TIMING: 4713200 CPU: 14949.3, 0.00311551/step Wall: 14949.3, 0.00311551/step, 0.248202 hours remaining, 240.152344 MB of memory in use. ENERGY: 4713200 4000.5181 20452.1677 14536.1840 232.1540 -203265.9536 2543.2306 0.0000 0.0000 51853.7697 -109647.9296 298.0043 -161501.6992 -109290.8330 298.7400 -82.9118 -54.5464 761537.8684 -6.6703 -6.8855 PRESSURE: 4713400 -102.811 225.878 168.437 225.879 106.887 -26.0208 168.438 -26.0204 32.4268 GPRESSURE: 4713400 -76.0197 199.912 126.189 262.14 154.272 68.0293 103.591 -89.9238 67.5265 PRESSAVG: 4713400 -34.9858 32.1862 44.9331 32.1862 19.854 -20.4511 44.9332 -20.451 23.2955 GPRESSAVG: 4713400 -34.9766 33.2572 44.0368 31.1681 20.5299 -18.5416 44.6418 -21.7304 23.3062 TIMING: 4713400 CPU: 14949.9, 0.00312111/step Wall: 14949.9, 0.00312111/step, 0.248475 hours remaining, 240.152344 MB of memory in use. ENERGY: 4713400 4033.7902 20436.7562 14541.3911 242.5363 -203593.2508 2884.5952 0.0000 0.0000 51790.2091 -109663.9727 297.6390 -161454.1818 -109305.6023 298.5452 12.1674 48.5929 760498.2538 2.7212 2.9531 PRESSURE: 4713600 -203.716 223.041 -280.477 223.042 204.342 188.233 -280.476 188.233 -224.573 GPRESSURE: 4713600 -145.836 274.355 -308.286 258.321 273.531 160.516 -268.765 104.07 -290.317 PRESSAVG: 4713600 -26.9894 8.12521 29.6583 8.12525 17.8912 -2.192 29.6583 -2.19203 22.3721 GPRESSAVG: 4713600 -26.8816 7.13203 30.4955 6.8196 17.3437 -4.39014 28.2765 -0.670779 22.5317 TIMING: 4713600 CPU: 14950.5, 0.0031176/step Wall: 14950.5, 0.0031176/step, 0.248023 hours remaining, 240.152344 MB of memory in use. ENERGY: 4713600 3982.9627 20568.4949 14499.4801 235.3661 -203379.9808 2677.0165 0.0000 0.0000 51798.8692 -109617.7913 297.6888 -161416.6605 -109267.7694 298.7072 -74.6492 -54.2073 763627.0999 4.4246 4.3313 PRESSURE: 4713800 233.414 -74.5173 85.3257 -74.5172 277.613 -279.325 85.3255 -279.326 449.147 GPRESSURE: 4713800 317.288 -123.096 69.6624 26.2375 224.865 -277.205 95.7097 -224.554 498.132 PRESSAVG: 4713800 -49.3744 -10.1816 -21.2964 -10.1816 35.8408 -50.0005 -21.2964 -50.0004 -17.4115 GPRESSAVG: 4713800 -48.9618 -9.76309 -19.7155 -8.42838 35.8697 -47.2594 -19.4237 -49.1307 -18.0355 TIMING: 4713800 CPU: 14951.2, 0.00311371/step Wall: 14951.2, 0.00311371/step, 0.24754 hours remaining, 240.152344 MB of memory in use. ENERGY: 4713800 3953.0386 20588.7263 14505.4387 214.6211 -203173.3176 2496.0172 0.0000 0.0000 51879.7197 -109535.7560 298.1535 -161415.4757 -109184.1904 299.0901 320.0580 346.7616 760796.8000 -10.3151 -10.3759 PRESSURE: 4714000 11.513 -103.808 117.996 -103.808 132.646 -30.4864 117.996 -30.4866 -34.4251 GPRESSURE: 4714000 87.952 28.7036 122.953 -94.9145 18.5179 -79.4326 -58.0757 51.2528 79.8005 PRESSAVG: 4714000 11.2972 -44.4425 -29.9317 -44.4425 -20.2698 16.4472 -29.9318 16.4472 -6.71878 GPRESSAVG: 4714000 11.6096 -44.0184 -32.2371 -45.0591 -21.1763 15.592 -30.7562 16.285 -5.97291 TIMING: 4714000 CPU: 14951.8, 0.00312335/step Wall: 14951.8, 0.00312335/step, 0.248133 hours remaining, 240.152344 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: 4714000 3910.1511 20577.1952 14583.8952 244.0085 -203325.8703 2531.1854 0.0000 0.0000 51866.8028 -109612.6321 298.0792 -161479.4350 -109267.9056 298.3803 36.5780 62.0902 760945.9571 -5.2305 -5.1799 PRESSURE: 4714200 201.709 -16.4681 -63.9318 -16.4675 40.8781 -20.2624 -63.9328 -20.2625 241.929 GPRESSURE: 4714200 202.74 -2.75648 -45.8189 38.3387 178.526 34.7746 -56.5956 -97.304 174.678 PRESSAVG: 4714200 1.303 -52.739 -41.4083 -52.739 40.9719 -56.2907 -41.4083 -56.2907 21.0172 GPRESSAVG: 4714200 0.42723 -53.577 -39.945 -51.4857 43.2598 -57.4404 -43.3579 -56.7026 19.8379 TIMING: 4714200 CPU: 14952.4, 0.00310511/step Wall: 14952.4, 0.00310511/step, 0.246511 hours remaining, 240.152344 MB of memory in use. ENERGY: 4714200 3886.7845 20483.4718 14469.9035 252.8797 -203552.8684 2705.7069 0.0000 0.0000 52178.8609 -109575.2610 299.8726 -161754.1219 -109209.8528 299.4056 161.5054 185.3147 762758.7468 21.0974 21.1750 PRESSURE: 4714400 206.634 197.279 -1.69829 197.28 128.786 -23.1965 -1.6982 -23.1956 72.8334 GPRESSURE: 4714400 272.789 174.338 25.4917 251.119 124.865 19.4542 -74.9914 -23.3109 83.3319 PRESSAVG: 4714400 -14.2579 -46.6641 -4.06511 -46.6641 -20.5557 -18.2589 -4.06511 -18.2588 -10.3728 GPRESSAVG: 4714400 -12.0108 -44.817 -6.67488 -48.3931 -23.0225 -17.7014 -0.714356 -17.1163 -10.4244 TIMING: 4714400 CPU: 14953, 0.00312091/step Wall: 14953, 0.00312091/step, 0.247592 hours remaining, 240.152344 MB of memory in use. ENERGY: 4714400 3987.4689 20362.8133 14546.5548 233.6364 -203314.5099 2552.3593 0.0000 0.0000 52033.2028 -109598.4744 299.0355 -161631.6772 -109240.9680 298.6363 136.0845 160.3289 759984.3110 -15.0621 -15.1526 PRESSURE: 4714600 -374.976 -154.737 99.1348 -154.737 -96.9765 184.571 99.1331 184.572 394.609 GPRESSURE: 4714600 -252.497 -82.595 74.7346 -186.076 -178.289 162.728 167.107 20.0742 443.267 PRESSAVG: 4714600 -34.7497 -10.4859 -16.8919 -10.4859 -3.16976 -31.2111 -16.8918 -31.2112 -2.44465 GPRESSAVG: 4714600 -36.2909 -10.2694 -14.9363 -11.1536 -2.35457 -31.4423 -17.0139 -32.9995 -1.6938 TIMING: 4714600 CPU: 14953.7, 0.00310818/step Wall: 14953.7, 0.00310818/step, 0.246409 hours remaining, 240.152344 MB of memory in use. ENERGY: 4714600 3946.6370 20418.6153 14541.4603 241.5244 -203601.1107 2934.4481 0.0000 0.0000 51961.9349 -109556.4906 298.6260 -161518.4255 -109193.9563 298.9261 -25.7811 4.1605 763113.9612 -13.4547 -13.4464 PRESSURE: 4714800 220.912 -136.076 95.3235 -136.077 -173.189 -158.613 95.3236 -158.613 232.386 GPRESSURE: 4714800 142.914 -233.738 41.3588 -75.5081 -72.9382 -173.791 118.882 -140.17 291.566 PRESSAVG: 4714800 7.72952 -21.5018 14.0579 -21.5018 15.5471 17.9287 14.0579 17.9287 -11.1835 GPRESSAVG: 4714800 5.47916 -21.9629 14.1603 -20.8768 17.176 17.9321 13.8876 16.084 -11.0382 TIMING: 4714800 CPU: 14954.3, 0.0030985/step Wall: 14954.3, 0.0030985/step, 0.24547 hours remaining, 240.152344 MB of memory in use. ENERGY: 4714800 4015.2653 20490.2596 14472.1428 247.6131 -203984.7275 2890.6799 0.0000 0.0000 52391.2387 -109477.5281 301.0932 -161868.7668 -109100.3143 298.9243 93.3698 120.5141 760301.8995 4.0310 3.8723 PRESSURE: 4715000 132.76 -30.6075 -84.0656 -30.607 -130.903 8.28197 -84.0649 8.28222 -53.0784 GPRESSURE: 4715000 128.978 61.4577 -63.2248 -93.3413 -95.6938 67.1106 -117.962 14.194 -1.00934 PRESSAVG: 4715000 62.2471 -32.6886 31.7927 -32.6885 -25.0137 13.9219 31.7927 13.9219 -7.72571 GPRESSAVG: 4715000 63.6314 -33.2747 30.9795 -32.7859 -26.3796 14.0302 31.6508 15.3082 -7.30675 TIMING: 4715000 CPU: 14954.9, 0.00311862/step Wall: 14954.9, 0.00311862/step, 0.24689 hours remaining, 240.152344 MB of memory in use. ENERGY: 4715000 3944.7301 20537.8651 14438.8538 248.4374 -203344.0146 2576.5912 0.0000 0.0000 51990.7738 -109606.7631 298.7917 -161597.5369 -109259.0032 299.3384 -17.0739 10.7583 760795.5581 9.8359 9.9817 PRESSURE: 4715200 -61.2934 76.1489 141.718 76.1472 -308.775 136.217 141.719 136.217 -50.8134 GPRESSURE: 4715200 27.8241 -78.1705 91.5708 -27.2179 -283.7 52.7393 199.389 70.7138 -64.2598 PRESSAVG: 4715200 9.81068 -75.6747 15.5129 -75.6747 5.48724 16.6935 15.5129 16.6935 17.8335 GPRESSAVG: 4715200 10.4619 -75.8008 14.4553 -76.711 5.42631 15.7268 15.0795 19.2541 17.4484 TIMING: 4715200 CPU: 14955.5, 0.0031182/step Wall: 14955.5, 0.0031182/step, 0.246684 hours remaining, 240.152344 MB of memory in use. ENERGY: 4715200 3909.3627 20510.2769 14446.8185 258.5305 -203044.8387 2392.7083 0.0000 0.0000 52070.0166 -109457.1252 299.2471 -161527.1418 -109092.1275 299.1139 -140.2938 -106.7118 761925.1738 11.0438 11.1122 PRESSURE: 4715400 146.567 -25.7989 78.7674 -25.7998 49.9829 334.876 78.7677 334.874 -92.8808 GPRESSURE: 4715400 208.527 -90.5482 139.448 -48.5777 32.3092 316.392 103.396 263.825 -65.6383 PRESSAVG: 4715400 -8.80651 5.31151 46.7937 5.31146 -6.62051 7.16109 46.7936 7.16113 -18.3572 GPRESSAVG: 4715400 -8.48571 5.93629 46.3214 6.27818 -7.74187 7.42943 47.637 5.24661 -17.5235 TIMING: 4715400 CPU: 14956.1, 0.00310732/step Wall: 14956.1, 0.00310732/step, 0.245651 hours remaining, 240.152344 MB of memory in use. ENERGY: 4715400 4017.6584 20581.5111 14455.8902 236.3205 -203465.3167 2566.8003 0.0000 0.0000 52277.4633 -109329.6730 300.4393 -161607.1363 -108962.3632 299.1498 34.5562 58.3992 759492.1734 -11.2614 -11.2504 PRESSURE: 4715600 -114.46 -88.1697 96.9332 -88.1691 -169.862 101.417 96.9338 101.416 -36.3837 GPRESSURE: 4715600 -107.724 40.2274 109.519 -104.733 -63.0672 72.9526 45.2797 108.56 -59.9563 PRESSAVG: 4715600 -26.0578 -11.3442 -2.36746 -11.3442 22.6095 46.0827 -2.36749 46.0828 -8.25636 GPRESSAVG: 4715600 -25.4303 -10.3512 -0.890357 -12.2606 22.4247 45.3981 -3.36042 47.5591 -8.10998 TIMING: 4715600 CPU: 14956.8, 0.00310993/step Wall: 14956.8, 0.00310993/step, 0.245685 hours remaining, 240.152344 MB of memory in use. ENERGY: 4715600 4147.4906 20440.5274 14450.1138 243.2568 -203329.0990 2655.6663 0.0000 0.0000 52287.5452 -109104.4989 300.4972 -161392.0441 -108740.8347 299.4656 -106.9020 -76.9158 761076.3001 -3.9015 -3.7052 PRESSURE: 4715800 -107.291 20.2321 -206.688 20.2319 -88.4521 -67.9165 -206.687 -67.9168 403.075 GPRESSURE: 4715800 -77.6124 78.2675 -198.458 -34.9361 -67.6413 -10.8071 -208.198 -64.4012 444.329 PRESSAVG: 4715800 14.2872 6.97517 -26.0452 6.97517 -0.671978 -24.7242 -26.0452 -24.7241 13.2854 GPRESSAVG: 4715800 14.3607 6.0567 -26.2419 5.43204 -0.28421 -24.015 -24.2805 -25.1925 12.7649 TIMING: 4715800 CPU: 14957.4, 0.00309999/step Wall: 14957.4, 0.00309999/step, 0.244727 hours remaining, 240.152344 MB of memory in use. ENERGY: 4715800 3962.4017 20457.8396 14509.7761 240.1469 -203331.5004 2645.3554 0.0000 0.0000 52263.9680 -109252.0127 300.3617 -161515.9807 -108885.8148 300.0693 69.1104 99.6917 762165.7776 8.9668 8.9471 PRESSURE: 4716000 111.945 -79.8467 120.481 -79.847 346.429 62.7887 120.48 62.7892 129.721 GPRESSURE: 4716000 226.452 -186.764 100.553 12.4663 340.648 58.81 96.3889 13.716 106.958 PRESSAVG: 4716000 2.31134 13.9976 -35.9445 13.9975 -1.71732 -3.85355 -35.9445 -3.85362 7.76013 GPRESSAVG: 4716000 3.01762 13.5804 -35.2618 16.1984 -2.84287 -2.45477 -37.8002 -3.2094 7.43621 TIMING: 4716000 CPU: 14958, 0.00312015/step Wall: 14958, 0.00312015/step, 0.246145 hours remaining, 240.152344 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: 4716000 3992.3548 20535.6063 14483.1055 269.3468 -203175.0856 2616.1393 0.0000 0.0000 52217.2305 -109061.3024 300.0931 -161278.5329 -108699.7771 299.7252 196.0319 224.6862 761430.4784 2.7847 2.5370 PRESSURE: 4716200 297.028 81.9019 -6.13383 81.9021 219.997 124.077 -6.13465 124.078 -16.8868 GPRESSURE: 4716200 407.086 -10.1879 -40.5768 149.413 246.295 14.9782 -68.2693 125.208 -70.1781 PRESSAVG: 4716200 11.2458 24.4099 -54.2352 24.4099 -9.15566 -8.80432 -54.2352 -8.80428 -26.3991 GPRESSAVG: 4716200 10.3432 23.7915 -54.8171 25.814 -8.66704 -9.49362 -54.5363 -10.209 -25.9729 TIMING: 4716200 CPU: 14958.6, 0.00310416/step Wall: 14958.6, 0.00310416/step, 0.244711 hours remaining, 240.152344 MB of memory in use. ENERGY: 4716200 3988.6267 20453.3005 14531.6798 226.4099 -202686.1498 2290.4107 0.0000 0.0000 52028.2171 -109167.5051 299.0069 -161195.7223 -108807.7294 299.8129 166.7125 194.4011 759497.3874 -8.1030 -8.0989 LDB: ============= START OF LOAD BALANCING ============== 14971.1 LDB: ============== END OF LOAD BALANCING =============== 14971.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14971.1 LDB: ============= START OF LOAD BALANCING ============== 14971.4 LDB: Largest compute 7077 load 0.033480 is 17.1% of average load 0.195521 LDB: Average compute 0.004367 is 2.2% of average load 0.195521 LDB: TIME 14971.4 LOAD: AVG 0.195521 MAX 0.214619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.535 MB LDB: TIME 14971.4 LOAD: AVG 0.195521 MAX 0.214619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: TIME 14971.4 LOAD: AVG 0.195521 MAX 0.214619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.738 MB LDB: ============== END OF LOAD BALANCING =============== 14971.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14971.4 PRESSURE: 4716400 72.079 -83.2239 -118.67 -83.2236 92.4079 8.89872 -118.67 8.89838 44.0192 GPRESSURE: 4716400 200.021 40.9387 -106.544 -133.337 121.58 72.9501 -39.0859 -60.6849 -9.9454 PRESSAVG: 4716400 14.357 -16.8841 -64.4452 -16.8842 31.7173 -2.2063 -64.4453 -2.20624 -22.722 GPRESSAVG: 4716400 14.3227 -16.1564 -65.3991 -19.6774 31.58 -1.70787 -63.6682 -1.67443 -23.2751 TIMING: 4716400 CPU: 14959.3, 0.00320039/step Wall: 14959.3, 0.00320039/step, 0.25212 hours remaining, 239.765625 MB of memory in use. ENERGY: 4716400 3986.9950 20464.0482 14494.4759 257.0996 -203192.7948 2688.0717 0.0000 0.0000 52058.3334 -109243.7709 299.1800 -161302.1043 -108881.3003 299.7086 69.5021 103.8851 762230.8605 7.7841 7.5425 PRESSURE: 4716600 -98.1862 149.137 19.0987 149.136 -306.292 98.7759 19.0986 98.7762 193.842 GPRESSURE: 4716600 -217.581 150.958 105.774 107.973 -186.122 84.4354 -17.3509 98.1711 272.11 PRESSAVG: 4716600 40.5646 -9.58893 -66.7065 -9.58886 0.605567 5.6593 -66.7065 5.65931 8.94411 GPRESSAVG: 4716600 39.4766 -8.13884 -66.779 -10.9608 1.9787 4.88395 -66.2619 7.34892 8.95594 TIMING: 4716600 CPU: 14959.9, 0.00313274/step Wall: 14959.9, 0.00313274/step, 0.246616 hours remaining, 239.765625 MB of memory in use. ENERGY: 4716600 4042.0095 20438.0747 14410.3097 236.7684 -203209.1443 2629.8564 0.0000 0.0000 52187.8499 -109264.2757 299.9243 -161452.1256 -108904.8050 299.7491 -70.2119 -43.8644 762837.4707 16.7047 16.8037 PRESSURE: 4716800 34.4029 -19.194 -327.971 -19.1928 -84.2731 -251.065 -327.971 -251.066 -591.315 GPRESSURE: 4716800 44.115 32.8666 -315.462 17.017 -108.588 -304.044 -293.853 -126.446 -496.509 PRESSAVG: 4716800 -38.4757 9.7636 24.7999 9.7636 7.35234 22.0855 24.7998 22.0855 4.44067 GPRESSAVG: 4716800 -37.3473 11.7948 25.895 12.435 5.22537 22.2123 23.4526 21.5513 4.82291 TIMING: 4716800 CPU: 14960.5, 0.00313888/step Wall: 14960.5, 0.00313888/step, 0.246925 hours remaining, 239.765625 MB of memory in use. ENERGY: 4716800 4016.9069 20448.2866 14398.2869 247.1373 -203081.8470 2579.7706 0.0000 0.0000 52241.2002 -109150.2585 300.2309 -161391.4587 -108784.4407 299.4947 -213.7284 -186.9940 763143.5823 -8.8942 -9.0997 PRESSURE: 4717000 182.726 126.804 -248.32 126.803 340.469 -27.2132 -248.321 -27.2126 81.9365 GPRESSURE: 4717000 292.731 127.193 -238.029 -32.8542 370.325 7.93615 -236.141 -3.9379 61.3326 PRESSAVG: 4717000 0.0345121 -1.47674 -36.6222 -1.4768 32.7615 30.6123 -36.6222 30.6123 9.43404 GPRESSAVG: 4717000 0.158712 -5.26 -36.4251 -3.38935 32.9848 29.4746 -33.7954 29.6169 9.01991 TIMING: 4717000 CPU: 14961.1, 0.00312887/step Wall: 14961.1, 0.00312887/step, 0.245964 hours remaining, 239.765625 MB of memory in use. ENERGY: 4717000 3933.3639 20449.6495 14424.2294 234.5671 -203208.5883 2831.8539 0.0000 0.0000 52000.0735 -109334.8511 298.8451 -161334.9245 -108974.1131 299.3066 201.7104 241.4630 761460.2890 14.0767 14.0545 PRESSURE: 4717200 -118.076 47.978 86.051 47.978 -336.445 105.366 86.0506 105.366 -211.981 GPRESSURE: 4717200 -112.408 -63.1994 162.512 -29.6428 -310.941 96.3787 86.8813 179.469 -132.347 PRESSAVG: 4717200 0.747749 -4.93427 -14.7144 -4.93429 13.1198 -11.966 -14.7144 -11.966 -14.1252 GPRESSAVG: 4717200 -0.727689 -3.68574 -14.1473 -4.55456 14.3561 -11.7476 -16.2479 -10.6914 -14.2667 TIMING: 4717200 CPU: 14961.8, 0.00313937/step Wall: 14961.8, 0.00313937/step, 0.246615 hours remaining, 239.765625 MB of memory in use. ENERGY: 4717200 3971.9208 20608.7336 14532.1587 233.3336 -203151.4505 2388.4377 0.0000 0.0000 52143.3523 -109273.5138 299.6686 -161416.8661 -108915.7932 299.7586 -222.1676 -185.2318 761804.5437 -0.0859 -0.2128 PRESSURE: 4717400 -7.57741 193.718 -142.88 193.717 -118.126 186.821 -142.879 186.821 29.71 GPRESSURE: 4717400 -2.96036 158.337 -148.211 120.464 -106.488 176.673 -68.1338 -37.408 105.031 PRESSAVG: 4717400 45.4367 6.53669 4.70548 6.53675 -45.6476 12.3884 4.70543 12.3884 4.22055 GPRESSAVG: 4717400 45.5188 5.35298 5.10854 7.14381 -45.423 13.2249 2.43818 9.91749 4.90753 TIMING: 4717400 CPU: 14962.4, 0.00313424/step Wall: 14962.4, 0.00313424/step, 0.246038 hours remaining, 239.765625 MB of memory in use. ENERGY: 4717400 4050.8954 20572.4718 14434.0931 256.7854 -203279.1977 2613.9456 0.0000 0.0000 52246.3553 -109104.6511 300.2605 -161351.0065 -108735.1375 300.2318 -31.9978 -1.4728 761821.5158 1.3365 1.6678 PRESSURE: 4717600 -208.639 123.064 84.1804 123.064 -228.927 43.5222 84.1796 43.5225 255.104 GPRESSURE: 4717600 -124.024 119.26 203.022 33.3326 -189.752 129.76 23.7081 -80.4213 224.899 PRESSAVG: 4717600 24.8559 36.9157 -24.4798 36.9157 -7.6577 3.03606 -24.4798 3.03609 13.4392 GPRESSAVG: 4717600 25.4547 38.1798 -25.1137 35.9804 -7.50612 3.23 -23.3395 4.33922 12.1532 TIMING: 4717600 CPU: 14963, 0.00311685/step Wall: 14963, 0.00311685/step, 0.244499 hours remaining, 239.765625 MB of memory in use. ENERGY: 4717600 3978.3906 20545.5302 14473.6466 249.4189 -203314.2362 2528.3562 0.0000 0.0000 52151.5593 -109387.3344 299.7157 -161538.8937 -109011.7472 300.0716 -60.8208 -29.6260 761686.3721 10.2125 10.0339 PRESSURE: 4717800 6.38438 16.0429 -27.9145 16.043 5.57336 -45.4349 -27.9144 -45.4343 -101.811 GPRESSURE: 4717800 -25.4579 -18.3358 -90.249 -22.8333 117.297 34.6421 87.1226 -84.5025 -92.0334 PRESSAVG: 4717800 7.94627 37.9168 11.2365 37.9168 -15.6236 39.2107 11.2364 39.2108 -3.65687 GPRESSAVG: 4717800 9.18306 38.567 10.0035 39.0521 -18.0616 40.4068 11.2462 37.5673 -2.95561 TIMING: 4717800 CPU: 14963.6, 0.00310075/step Wall: 14963.6, 0.00310075/step, 0.243064 hours remaining, 239.765625 MB of memory in use. ENERGY: 4717800 4044.9677 20612.6488 14499.8761 256.4990 -203219.9447 2653.0200 0.0000 0.0000 52023.9110 -109129.0221 298.9821 -161152.9331 -108765.3514 299.8342 -29.9511 -0.0647 762039.9772 -3.7781 -3.9447 PRESSURE: 4718000 -448.321 293.98 8.22064 293.981 -236.318 187.81 8.22119 187.81 693.124 GPRESSURE: 4718000 -297.52 292.392 -107.565 333.287 -229.625 149.569 7.90631 228.341 606.22 PRESSAVG: 4718000 18.9161 36.6241 23.7888 36.6241 6.03661 50.4032 23.7888 50.4031 17.8683 GPRESSAVG: 4718000 18.1351 35.7035 23.2941 35.6803 6.70597 48.8902 25.9877 51.7463 18.4603 TIMING: 4718000 CPU: 14964.3, 0.0031268/step Wall: 14964.3, 0.0031268/step, 0.244933 hours remaining, 239.765625 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: 4718000 3925.3018 20544.8799 14449.5567 258.9610 -202848.5186 2365.8303 0.0000 0.0000 52209.4955 -109094.4935 300.0487 -161303.9890 -108732.1521 299.5829 2.8284 26.3585 763751.7164 14.2737 14.4338 PRESSURE: 4718200 -108.742 77.9599 -87.645 77.9593 -16.9043 99.0562 -87.6448 99.0575 104.251 GPRESSURE: 4718200 -65.6991 23.7055 -90.4835 8.3042 12.8959 -32.9077 24.1323 24.3948 122.897 PRESSAVG: 4718200 -27.7451 -41.6652 -36.471 -41.6652 17.5809 2.3301 -36.471 2.33005 -20.1205 GPRESSAVG: 4718200 -28.8231 -43.3635 -35.9026 -38.8743 17.8737 2.92439 -36.9682 4.51125 -19.2162 TIMING: 4718200 CPU: 14964.9, 0.00313776/step Wall: 14964.9, 0.00313776/step, 0.245617 hours remaining, 239.765625 MB of memory in use. ENERGY: 4718200 3958.8427 20506.3738 14480.1269 232.2903 -203110.2915 2412.6275 0.0000 0.0000 52401.3596 -109118.6707 301.1513 -161520.0304 -108761.8462 299.9178 -7.1317 23.3646 763975.4163 -10.0949 -10.0552 PRESSURE: 4718400 129.408 1.54524 234.564 1.54425 40.2403 -51.2728 234.564 -51.2744 29.1718 GPRESSURE: 4718400 177.747 97.4149 205.097 -20.131 125.707 -28.6618 152.169 0.35552 -18.8672 PRESSAVG: 4718400 6.32819 34.2197 -17.5112 34.2197 -2.87787 40.6856 -17.5113 40.6855 3.56894 GPRESSAVG: 4718400 7.95515 36.9169 -17.3419 31.8713 -2.74585 41.6137 -18.8017 39.7298 2.20576 TIMING: 4718400 CPU: 14965.5, 0.00313845/step Wall: 14965.5, 0.00313845/step, 0.245496 hours remaining, 239.765625 MB of memory in use. ENERGY: 4718400 3931.6627 20462.7128 14466.6146 261.8635 -202791.5179 2352.0101 0.0000 0.0000 52276.6500 -109040.0042 300.4346 -161316.6542 -108663.7735 299.5133 66.2733 94.8624 763986.8757 2.3398 2.4717 PRESSURE: 4718600 -189.803 263.883 -247.027 263.883 -75.181 199.498 -247.028 199.498 -552.081 GPRESSURE: 4718600 -212.558 168.352 -211.247 74.5104 -27.1409 217.702 -252.609 141.35 -467.464 PRESSAVG: 4718600 11.1437 -20.552 -25.7997 -20.5519 16.3143 78.7877 -25.7997 78.7877 -12.6132 GPRESSAVG: 4718600 10.4266 -19.5033 -24.9446 -21.0948 17.6022 77.919 -24.851 78.2719 -12.9051 TIMING: 4718600 CPU: 14966.2, 0.00312027/step Wall: 14966.2, 0.00312027/step, 0.243901 hours remaining, 239.765625 MB of memory in use. ENERGY: 4718600 4110.0464 20575.3757 14497.6586 256.9630 -203066.2338 2479.3581 0.0000 0.0000 52263.7317 -108883.1002 300.3604 -161146.8319 -108522.9879 299.9721 -272.3549 -235.7210 762547.2189 4.9483 5.0412 PRESSURE: 4718800 -212.038 13.226 -1.3494 13.2257 1.58118 192.436 -1.34976 192.437 -149.751 GPRESSURE: 4718800 -90.423 -22.8603 -30.1981 -2.6502 -2.06581 219.755 -198.938 134.606 -206.328 PRESSAVG: 4718800 -28.4528 -8.53499 31.9911 -8.53507 7.89758 41.9929 31.9911 41.9929 8.06709 GPRESSAVG: 4718800 -27.9805 -10.0164 32.0056 -10.1862 6.013 41.9806 31.9157 39.8471 8.50386 TIMING: 4718800 CPU: 14966.8, 0.00314558/step Wall: 14966.8, 0.00314558/step, 0.245705 hours remaining, 239.765625 MB of memory in use. ENERGY: 4718800 4011.7511 20664.4170 14460.0613 253.0071 -202730.1200 2160.5007 0.0000 0.0000 52058.1504 -109122.2324 299.1789 -161180.3828 -108762.3207 300.6118 -120.0695 -99.6055 761821.9281 -4.1627 -4.4879 PRESSURE: 4719000 -132.803 48.0447 116.423 48.0448 -163.851 -33.6758 116.423 -33.6751 104.533 GPRESSURE: 4719000 -102.442 50.8115 116.225 138.876 -133.39 -170.452 174.461 86.9104 109.863 PRESSAVG: 4719000 8.0473 4.42065 12.9551 4.4207 41.7177 31.8397 12.955 31.8397 10.0172 GPRESSAVG: 4719000 7.31212 2.03648 11.9715 7.10141 41.7918 32.292 14.415 31.821 9.94509 TIMING: 4719000 CPU: 14967.4, 0.00311467/step Wall: 14967.4, 0.00311467/step, 0.243117 hours remaining, 239.765625 MB of memory in use. ENERGY: 4719000 3961.1020 20627.0783 14543.6832 263.0118 -203050.0714 2355.7345 0.0000 0.0000 52039.6832 -109259.7784 299.0728 -161299.4616 -108898.1480 299.7776 -64.0404 -41.9893 762256.0911 19.9274 19.6830 PRESSURE: 4719200 47.9855 35.0588 -3.20894 35.0591 -200.927 196.914 -3.20929 196.914 -148.564 GPRESSURE: 4719200 72.2338 -6.52752 31.8767 129.506 -138.891 126.371 36.0816 283.736 -112.796 PRESSAVG: 4719200 -12.8779 6.5238 -2.72812 6.52376 -25.4697 -27.9152 -2.72814 -27.9151 -0.911824 GPRESSAVG: 4719200 -12.5173 7.64295 0.204565 6.96176 -24.9284 -30.2055 -3.46919 -25.2711 -1.57938 TIMING: 4719200 CPU: 14968, 0.0031198/step Wall: 14968, 0.0031198/step, 0.243345 hours remaining, 239.765625 MB of memory in use. ENERGY: 4719200 3949.0664 20456.9443 14543.3378 221.7592 -203010.4563 2498.1236 0.0000 0.0000 52094.3965 -109246.8286 299.3872 -161341.2250 -108879.2250 299.1426 -100.5018 -59.8178 762190.5418 -13.0865 -13.0083 PRESSURE: 4719400 -369.623 -17.0843 -84.002 -17.0843 -42.2915 -59.4315 -84.0028 -59.4317 -27.4431 GPRESSURE: 4719400 -249.588 -75.0285 -51.8132 -97.2973 -38.2647 -28.9994 -41.6534 -46.2742 -37.7953 PRESSAVG: 4719400 -25.6904 16.3095 57.4196 16.3096 -2.89364 -45.1465 57.4196 -45.1465 3.1283 GPRESSAVG: 4719400 -24.5458 15.987 55.2992 14.9002 -4.00027 -41.2821 57.6719 -46.9695 3.41258 TIMING: 4719400 CPU: 14968.7, 0.00313609/step Wall: 14968.7, 0.00313609/step, 0.244441 hours remaining, 239.765625 MB of memory in use. ENERGY: 4719400 4045.9729 20659.6653 14471.7151 247.9248 -203122.7756 2371.9356 0.0000 0.0000 51898.4982 -109427.0637 298.2614 -161325.5619 -109076.0644 298.8270 -146.4525 -108.5493 760935.9425 -8.4852 -8.3778 PRESSURE: 4719600 2.35602 -131.076 58.2607 -131.076 -387.378 -72.9035 58.2608 -72.9035 274.699 GPRESSURE: 4719600 19.0214 -110.689 50.1026 -89.4161 -291.607 40.9754 46.1059 -50.6042 250.853 PRESSAVG: 4719600 -1.43834 -36.3489 49.6889 -36.349 13.7869 3.09293 49.689 3.0929 -5.36834 GPRESSAVG: 4719600 -2.93525 -35.004 48.7499 -36.2717 15.5797 1.9252 49.8047 3.8992 -5.70392 TIMING: 4719600 CPU: 14969.3, 0.00313668/step Wall: 14969.3, 0.00313668/step, 0.244312 hours remaining, 239.765625 MB of memory in use. ENERGY: 4719600 3996.7494 20441.8425 14530.0134 268.7935 -203146.9425 2629.4157 0.0000 0.0000 51941.2384 -109338.8896 298.5070 -161280.1281 -108974.0171 298.9652 -36.7745 -7.2442 761323.3852 2.3267 2.3135 PRESSURE: 4719800 30.7249 171.266 8.69289 171.265 188.765 -67.2197 8.69277 -67.2195 -614.513 GPRESSURE: 4719800 53.9236 70.3309 -78.7451 214.042 150.518 -61.0994 113.974 -76.5945 -483.021 PRESSAVG: 4719800 15.8927 9.62053 -9.98434 9.62051 -17.6049 -20.8715 -9.98435 -20.8716 -15.3404 GPRESSAVG: 4719800 15.5457 8.58566 -10.4349 9.38494 -18.0207 -22.0351 -11.0154 -20.0096 -13.7737 TIMING: 4719800 CPU: 14969.9, 0.00312444/step Wall: 14969.9, 0.00312445/step, 0.243186 hours remaining, 239.765625 MB of memory in use. ENERGY: 4719800 4032.5206 20474.5655 14535.1026 267.4023 -202452.9841 2293.2013 0.0000 0.0000 51700.1706 -109150.0212 297.1216 -160850.1918 -108797.6497 299.4413 -131.6742 -92.8599 761903.7877 -5.6842 -5.4162 PRESSURE: 4720000 -121.533 93.6331 356.054 93.6323 -209.137 130.326 356.055 130.327 -74.9611 GPRESSURE: 4720000 -172.582 109.627 442.184 112.668 -93.0071 30.682 333.16 215.255 -55.5374 PRESSAVG: 4720000 13.1622 -43.6788 40.8557 -43.6789 14.0128 47.7029 40.8557 47.7029 15.5002 GPRESSAVG: 4720000 12.7894 -42.9517 44.0329 -44.5061 14.1913 48.2486 39.5374 47.1985 15.2132 TIMING: 4720000 CPU: 14970.5, 0.00313947/step Wall: 14970.5, 0.00313947/step, 0.244181 hours remaining, 239.765625 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: 4720000 4054.6815 20698.5676 14481.6189 231.7366 -202856.2280 2155.5117 0.0000 0.0000 52246.8511 -108987.2607 300.2634 -161234.1118 -108621.8321 299.8031 -135.2104 -107.0421 759605.8692 14.2251 14.0646 PRESSURE: 4720200 -260.085 -192.483 -258.729 -192.483 -139.215 -104.784 -258.729 -104.783 208.339 GPRESSURE: 4720200 -263.591 -175.747 -217.647 -186.326 -66.6874 -116.27 -312.146 -89.5876 204.976 PRESSAVG: 4720200 -82.7655 -26.0527 65.221 -26.0528 81.8485 -1.4134 65.221 -1.41332 1.28044 GPRESSAVG: 4720200 -82.248 -28.806 63.6517 -23.4796 80.893 -1.49721 65.1882 -1.03175 1.97216 TIMING: 4720200 CPU: 14971.2, 0.00312914/step Wall: 14971.2, 0.00312914/step, 0.243204 hours remaining, 239.765625 MB of memory in use. ENERGY: 4720200 4017.1111 20671.7751 14420.8938 260.3558 -202509.3149 2419.1917 0.0000 0.0000 52221.8292 -108498.1582 300.1196 -160719.9873 -108131.4567 300.5630 -63.6533 -41.7676 762509.1143 0.1211 0.2057 LDB: ============= START OF LOAD BALANCING ============== 14983.6 LDB: ============== END OF LOAD BALANCING =============== 14983.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14983.6 LDB: ============= START OF LOAD BALANCING ============== 14983.9 LDB: Largest compute 7056 load 0.034061 is 17.4% of average load 0.195572 LDB: Average compute 0.004391 is 2.2% of average load 0.195572 LDB: TIME 14983.9 LOAD: AVG 0.195572 MAX 0.216738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.539 MB LDB: TIME 14983.9 LOAD: AVG 0.195572 MAX 0.216738 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: TIME 14983.9 LOAD: AVG 0.195572 MAX 0.216738 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: ============== END OF LOAD BALANCING =============== 14983.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14983.9 PRESSURE: 4720400 33.6241 77.7723 -81.6266 77.7728 397.579 -7.92533 -81.6266 -7.92621 62.7468 GPRESSURE: 4720400 19.3986 -71.3915 26.1559 143.294 430.501 84.0187 96.1218 60.2035 122.438 PRESSAVG: 4720400 -64.6876 -38.2022 -3.69539 -38.2022 61.4402 -9.45978 -3.69537 -9.45981 -9.53522 GPRESSAVG: 4720400 -64.6366 -35.1538 -2.67142 -39.0259 61.2721 -9.14012 -1.25043 -10.0388 -9.92464 TIMING: 4720400 CPU: 14971.8, 0.00319103/step Wall: 14971.8, 0.00319103/step, 0.247837 hours remaining, 239.765625 MB of memory in use. ENERGY: 4720400 4053.5372 20558.1694 14524.7985 255.1123 -203419.3679 2979.9646 0.0000 0.0000 52384.1239 -108663.6619 301.0523 -161047.7859 -108296.5785 300.9732 164.6499 190.7791 760779.2547 -4.2609 -4.4297 PRESSURE: 4720600 -87.9459 88.5666 28.2043 88.5663 27.3105 156.918 28.2042 156.919 158.449 GPRESSURE: 4720600 -39.0538 39.206 -47.2251 -41.438 122.71 127.579 35.1146 4.69246 99.2339 PRESSAVG: 4720600 -47.4109 -19.5405 -10.8453 -19.5404 35.3236 -47.0967 -10.8453 -47.0967 -7.3295 GPRESSAVG: 4720600 -47.0376 -19.4879 -11.8973 -19.9844 35.7979 -46.5662 -11.9872 -46.8319 -7.71003 TIMING: 4720600 CPU: 14972.4, 0.00311271/step Wall: 14972.4, 0.00311271/step, 0.241581 hours remaining, 239.765625 MB of memory in use. ENERGY: 4720600 4035.9528 20359.2036 14463.6160 242.5449 -202649.7991 2210.2753 0.0000 0.0000 52486.3782 -108851.8282 301.6399 -161338.2064 -108492.0062 300.6386 32.6044 60.9635 762049.0450 -6.4722 -6.3166 PRESSURE: 4720800 -115.109 97.8058 95.2471 97.8062 343.353 210.139 95.2471 210.139 66.6223 GPRESSURE: 4720800 -59.6566 99.6251 107.001 42.2311 384.102 227.874 111.88 300.608 63.7935 PRESSAVG: 4720800 -56.276 -23.2139 33.7656 -23.2139 20.252 41.6175 33.7656 41.6175 19.3823 GPRESSAVG: 4720800 -56.2017 -23.9071 35.774 -23.641 20.6209 41.8384 34.7933 40.597 18.3704 TIMING: 4720800 CPU: 14973, 0.00313219/step Wall: 14973, 0.00313219/step, 0.242919 hours remaining, 239.765625 MB of memory in use. ENERGY: 4720800 4045.4892 20554.1399 14499.6454 255.9945 -203162.3129 2708.7548 0.0000 0.0000 52244.1722 -108854.1169 300.2480 -161098.2891 -108503.8816 299.9975 98.2886 129.4130 760317.4882 -5.5472 -5.7368 PRESSURE: 4721000 148.51 126.38 46.0549 126.38 270.359 -63.3696 46.0556 -63.3691 -209.957 GPRESSURE: 4721000 240.506 5.29243 131.585 75.537 248.81 -11.0789 107.691 -45.6199 -194.344 PRESSAVG: 4721000 -0.854464 -7.24389 8.00171 -7.24389 18.7894 -11.953 8.00174 -11.953 0.681049 GPRESSAVG: 4721000 -3.22184 -7.25893 6.10558 -6.9311 19.5306 -10.9164 11.6289 -13.0722 2.84491 TIMING: 4721000 CPU: 14973.7, 0.00313252/step Wall: 14973.7, 0.00313251/step, 0.24277 hours remaining, 240.023438 MB of memory in use. ENERGY: 4721000 4038.4500 20559.0896 14487.7679 235.2251 -203408.7573 2710.2031 0.0000 0.0000 52465.3795 -108912.6421 301.5193 -161378.0216 -108547.6642 300.6188 69.6374 98.3241 761694.3674 6.2053 6.3846 PRESSURE: 4721200 165.931 19.4232 -199.562 19.4238 78.1802 -108.79 -199.562 -108.791 180.8 GPRESSURE: 4721200 178.987 159.355 -190.745 17.6413 143.681 -39.2413 -183.27 -121.545 192.285 PRESSAVG: 4721200 -57.8778 -47.0731 10.7718 -47.0731 71.5986 4.60711 10.7718 4.60707 -2.30596 GPRESSAVG: 4721200 -56.9841 -47.0313 12.1556 -46.2604 71.7582 3.52888 6.16618 6.46142 -3.43911 TIMING: 4721200 CPU: 14974.3, 0.0031361/step Wall: 14974.3, 0.0031361/step, 0.242874 hours remaining, 240.023438 MB of memory in use. ENERGY: 4721200 3929.0738 20420.6937 14506.6902 247.7693 -203324.2445 2884.3110 0.0000 0.0000 52202.8250 -109132.8814 300.0104 -161335.7064 -108766.2964 299.8155 141.6371 171.6512 762900.1663 3.8049 3.7783 PRESSURE: 4721400 -67.2409 90.6333 36.5753 90.6338 -145.603 91.3054 36.5754 91.3048 -119.823 GPRESSURE: 4721400 -30.3283 87.7024 -116.223 256.258 -121.546 75.1417 80.198 4.14455 -102.032 PRESSAVG: 4721400 -42.6902 -50.4627 -3.35957 -50.4627 13.607 -77.6413 -3.35958 -77.6413 0.587202 GPRESSAVG: 4721400 -42.3594 -52.1417 -3.17742 -46.593 13.0482 -78.89 -1.46101 -76.2691 1.42922 TIMING: 4721400 CPU: 14974.9, 0.00313587/step Wall: 14974.9, 0.00313587/step, 0.242681 hours remaining, 240.023438 MB of memory in use. ENERGY: 4721400 4003.6921 20459.0541 14438.5228 244.0037 -202783.2072 2334.8698 0.0000 0.0000 52169.5378 -109133.5270 299.8191 -161303.0648 -108765.2380 299.8592 -110.8892 -84.6354 762474.1553 -9.4986 -9.2940 PRESSURE: 4721600 37.4541 222.266 301.133 222.267 -360.129 -34.0224 301.133 -34.0231 -173.574 GPRESSURE: 4721600 -33.371 200.892 311.639 101.497 -264.394 26.4842 204.008 -1.05858 -103.945 PRESSAVG: 4721600 23.9114 -15.2498 -28.0339 -15.2498 -14.0255 -28.5847 -28.0339 -28.5847 6.71127 GPRESSAVG: 4721600 23.0921 -11.3334 -28.1613 -19.4644 -13.4665 -25.286 -30.1946 -31.2163 6.9554 TIMING: 4721600 CPU: 14975.6, 0.00313941/step Wall: 14975.6, 0.00313941/step, 0.242781 hours remaining, 240.023438 MB of memory in use. ENERGY: 4721600 4014.1799 20522.0107 14511.4698 255.7092 -202738.8440 2121.1561 0.0000 0.0000 52143.4164 -109170.9017 299.6689 -161314.3181 -108804.0891 299.6930 -165.4164 -133.9032 761691.5495 5.5324 5.5270 PRESSURE: 4721800 -305.639 14.1397 89.3848 14.1387 -382.434 -24.2614 89.3859 -24.2603 254.432 GPRESSURE: 4721800 -162.393 -170.932 57.6472 46.7787 -385.17 -51.6935 140.037 -75.6197 188.305 PRESSAVG: 4721800 30.8233 -19.6842 20.2133 -19.6841 -71.6825 10.7385 20.2134 10.7385 5.26125 GPRESSAVG: 4721800 30.9359 -20.1628 18.2018 -20.257 -71.8651 7.22685 23.4378 12.2095 5.11847 TIMING: 4721800 CPU: 14976.2, 0.00312707/step Wall: 14976.2, 0.00312707/step, 0.241653 hours remaining, 240.023438 MB of memory in use. ENERGY: 4721800 3972.7019 20549.1360 14490.9614 262.2871 -202731.0700 2344.3175 0.0000 0.0000 51866.7825 -109244.8837 298.0791 -161111.6663 -108885.6034 299.3136 -144.5468 -119.7527 764444.6736 -11.8660 -11.9369 PRESSURE: 4722000 -184.994 -27.5922 229.881 -27.5921 -343.008 -129.77 229.88 -129.77 32.8414 GPRESSURE: 4722000 -165.97 -73.2951 209.873 -47.9856 -277.608 -38.0102 146.285 -5.9528 27.054 PRESSAVG: 4722000 35.2895 -32.4293 1.28388 -32.4293 -43.8247 -8.16214 1.28387 -8.16215 -6.37589 GPRESSAVG: 4722000 35.1388 -33.6407 2.07657 -31.368 -44.5184 -9.04239 0.874676 -6.42947 -5.4111 TIMING: 4722000 CPU: 14976.8, 0.00311618/step Wall: 14976.8, 0.00311618/step, 0.240639 hours remaining, 240.023438 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: 4722000 4010.7148 20581.3935 14551.1817 259.3360 -203406.5273 2592.6553 0.0000 0.0000 52193.6838 -109217.5622 299.9578 -161411.2460 -108847.4252 299.4866 -165.0534 -138.8414 761399.6632 -4.9704 -4.9302 PRESSURE: 4722200 -87.8797 -129.881 -1.63268 -129.88 25.9419 -149.461 -1.6329 -149.461 6.7828 GPRESSURE: 4722200 -133.656 -148.5 103.633 -0.879174 107.524 -172.923 -96.0054 -195.268 40.1143 PRESSAVG: 4722200 -5.87795 6.64746 33.0882 6.64747 -8.15611 32.781 33.0882 32.781 16.8788 GPRESSAVG: 4722200 -6.04552 7.61774 34.9822 8.97954 -8.02937 35.3371 31.3306 30.6687 16.9897 TIMING: 4722200 CPU: 14977.4, 0.00311118/step Wall: 14977.4, 0.00311118/step, 0.240079 hours remaining, 240.023438 MB of memory in use. ENERGY: 4722200 3920.3509 20618.6610 14514.8017 233.7661 -203122.7099 2466.0685 0.0000 0.0000 52142.5995 -109226.4622 299.6642 -161369.0617 -108868.9345 299.7820 -18.3850 4.6608 760348.7281 0.9483 0.9716 PRESSURE: 4722400 -339.176 -57.2487 -121.584 -57.2486 -141.1 156.272 -121.584 156.272 -100.289 GPRESSURE: 4722400 -278.073 -0.540201 -62.7123 -38.9747 -121.13 126.535 -148.982 165.089 -81.9983 PRESSAVG: 4722400 -42.5552 -46.4835 12.9332 -46.4835 49.5407 11.2607 12.9332 11.2608 5.53404 GPRESSAVG: 4722400 -40.781 -46.9884 11.615 -47.2309 48.6441 9.37148 13.1607 12.6492 4.70042 TIMING: 4722400 CPU: 14978.1, 0.00313211/step Wall: 14978.1, 0.00313211/step, 0.24152 hours remaining, 240.023438 MB of memory in use. ENERGY: 4722400 4005.3574 20435.2485 14473.5797 262.2413 -203117.1794 2263.7960 0.0000 0.0000 52488.7513 -109188.2053 301.6536 -161676.9566 -108818.6347 300.1902 -193.5219 -160.4004 760028.1082 4.1732 4.1878 PRESSURE: 4722600 345.771 -126.308 -107.903 -126.308 -179.567 -69.9166 -107.903 -69.9164 9.97691 GPRESSURE: 4722600 365.248 -120.683 -116.477 -98.4694 -81.0938 -117.053 -45.1937 -20.054 -9.89625 PRESSAVG: 4722600 -27.1711 -31.7819 90.9363 -31.7819 20.3709 -37.5941 90.9363 -37.5941 5.31748 GPRESSAVG: 4722600 -27.8633 -33.0939 91.8492 -33.1425 21.0447 -34.6181 90.9569 -38.2063 6.21244 TIMING: 4722600 CPU: 14978.7, 0.00311621/step Wall: 14978.7, 0.00311621/step, 0.240121 hours remaining, 240.023438 MB of memory in use. ENERGY: 4722600 4012.8125 20647.5641 14479.6080 229.1921 -203706.1750 2856.8952 0.0000 0.0000 52025.2848 -109454.8183 298.9900 -161480.1031 -109089.3309 299.6335 58.7271 91.4193 760722.9095 -0.4942 -0.2020 PRESSURE: 4722800 20.8466 -101.239 -37.6761 -101.239 -114.699 20.3451 -37.6753 20.3457 170.976 GPRESSURE: 4722800 14.0489 -86.3902 -10.7911 -115.005 -92.1166 65.014 7.62061 -12.0242 229.304 PRESSAVG: 4722800 -36.3304 -44.837 35.3597 -44.837 -4.47296 5.43114 35.3598 5.43111 -4.05002 GPRESSAVG: 4722800 -35.0608 -41.3174 34.9137 -45.5517 -5.47917 4.55851 34.4406 4.81953 -4.42945 TIMING: 4722800 CPU: 14979.3, 0.00312212/step Wall: 14979.3, 0.00312212/step, 0.240403 hours remaining, 240.023438 MB of memory in use. ENERGY: 4722800 3970.8116 20604.6515 14556.0014 248.0134 -203427.9240 2553.1495 0.0000 0.0000 52214.8646 -109280.4319 300.0795 -161495.2965 -108919.6436 299.3416 25.7078 50.4120 761223.5034 -14.9511 -14.9898 PRESSURE: 4723000 -136.864 -14.5418 197.516 -14.5424 -274.359 200.754 197.517 200.754 192.012 GPRESSURE: 4723000 -84.7735 -24.3172 280.597 -41.676 -267.774 184.022 150.314 160.877 216.1 PRESSAVG: 4723000 4.83224 -49.0892 23.4337 -49.0892 9.35287 -51.4316 23.4337 -51.4316 -1.22744 GPRESSAVG: 4723000 3.21002 -50.0541 23.6064 -48.6303 9.43318 -51.056 23.9508 -51.7204 0.0648665 TIMING: 4723000 CPU: 14979.9, 0.00313481/step Wall: 14979.9, 0.00313481/step, 0.241206 hours remaining, 240.023438 MB of memory in use. ENERGY: 4723000 4027.8874 20540.9564 14488.6446 237.4262 -202944.6665 2317.7503 0.0000 0.0000 52098.6619 -109233.3397 299.4117 -161332.0016 -108864.3376 299.9062 -73.0702 -45.4827 760492.7296 4.3192 4.2360 PRESSURE: 4723200 88.1249 10.7474 420.36 10.7471 9.69193 47.1802 420.36 47.1799 -52.2768 GPRESSURE: 4723200 54.0886 17.5991 376.357 20.724 44.2407 70.7356 253.599 42.2518 33.903 PRESSAVG: 4723200 8.70963 -64.5887 37.8984 -64.5887 -0.985604 11.9677 37.8985 11.9676 14.6948 GPRESSAVG: 4723200 9.70462 -65.5053 36.771 -63.5513 0.183929 9.98455 36.6329 13.2364 13.1985 TIMING: 4723200 CPU: 14980.6, 0.00312785/step Wall: 14980.6, 0.00312785/step, 0.240497 hours remaining, 240.093750 MB of memory in use. ENERGY: 4723200 3989.1289 20723.2703 14497.8539 229.3506 -203242.5879 2380.0227 0.0000 0.0000 52007.9054 -109415.0562 298.8901 -161422.9616 -109056.5786 300.1539 15.1800 44.0774 758810.2796 7.4729 7.6957 PRESSURE: 4723400 -294.184 -150.889 -212.844 -150.89 -160.087 66.5572 -212.844 66.5577 -17.5342 GPRESSURE: 4723400 -288.087 -64.5912 -189.645 -111.17 -114.023 21.5113 -189.926 139.834 17.0984 PRESSAVG: 4723400 20.018 -20.5262 25.8417 -20.5261 31.7014 -16.5451 25.8417 -16.5452 3.26698 GPRESSAVG: 4723400 19.8737 -20.1437 26.8005 -20.9976 31.4646 -15.3443 26.8431 -16.9456 3.35547 TIMING: 4723400 CPU: 14981.2, 0.00314515/step Wall: 14981.2, 0.00314515/step, 0.241653 hours remaining, 240.093750 MB of memory in use. ENERGY: 4723400 4006.1858 20671.9718 14521.1118 241.6926 -203372.4874 2551.1947 0.0000 0.0000 52107.3439 -109272.9868 299.4616 -161380.3307 -108917.9213 299.8147 -157.2683 -128.3372 760741.8364 18.3288 18.2313 PRESSURE: 4723600 215.263 213.19 257.199 213.189 237.45 -226.157 257.199 -226.157 -105.147 GPRESSURE: 4723600 164.333 284.014 218.178 232.611 226.416 -166.982 285.526 -161.809 35.7598 PRESSAVG: 4723600 34.6863 -24.2632 13.2952 -24.2632 -47.4989 -26.7551 13.2952 -26.7551 12.9724 GPRESSAVG: 4723600 34.7477 -24.66 14.5065 -24.0318 -46.6777 -27.5297 14.2462 -28.5551 12.205 TIMING: 4723600 CPU: 14981.8, 0.00313934/step Wall: 14981.8, 0.00313934/step, 0.241031 hours remaining, 240.093750 MB of memory in use. ENERGY: 4723600 3955.0136 20522.7202 14530.9096 249.5441 -203222.6407 2618.3149 0.0000 0.0000 52110.4970 -109235.6412 299.4797 -161346.1383 -108867.2673 300.1855 115.8550 142.1693 759979.8603 0.0533 0.0917 PRESSURE: 4723800 -240.205 24.6716 177.691 24.6719 -355.8 -293.234 177.691 -293.233 142.396 GPRESSURE: 4723800 -299.101 29.7381 157.49 60.7433 -253.313 -229.491 191.114 -123.386 186.988 PRESSAVG: 4723800 -11.5056 21.9865 43.4335 21.9864 -23.4419 -38.6817 43.4336 -38.6816 -14.2846 GPRESSAVG: 4723800 -11.5847 22.0925 42.0334 21.7347 -24.3129 -37.969 44.3097 -35.8704 -13.1798 TIMING: 4723800 CPU: 14982.4, 0.0031288/step Wall: 14982.4, 0.0031288/step, 0.240048 hours remaining, 240.093750 MB of memory in use. ENERGY: 4723800 3978.9428 20520.8217 14475.8415 233.0093 -202733.0582 2198.9250 0.0000 0.0000 51899.4833 -109426.0347 298.2670 -161325.5180 -109068.3029 299.5727 -151.2031 -121.8084 762212.1448 -16.4107 -16.3591 PRESSURE: 4724000 -72.3308 -122.599 171.265 -122.598 77.9672 208.06 171.264 208.061 119.43 GPRESSURE: 4724000 -96.3568 -5.45921 135.961 -156.317 95.8169 204.193 186.615 57.543 190.548 PRESSAVG: 4724000 19.9185 -1.46694 43.9596 -1.46691 -53.0166 -9.99803 43.9596 -9.99801 -2.88384 GPRESSAVG: 4724000 19.6323 -0.640391 45.8789 -3.65577 -52.3561 -10.27 41.323 -10.7718 -2.94713 TIMING: 4724000 CPU: 14983.1, 0.00311715/step Wall: 14983.1, 0.00311715/step, 0.238982 hours remaining, 240.093750 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: 4724000 3991.4350 20477.9792 14449.0889 236.1329 -203352.5860 2544.3701 0.0000 0.0000 52218.1113 -109435.4687 300.0982 -161653.5800 -109070.5493 299.3555 41.6889 63.3361 760037.7340 -11.9940 -11.8903 PRESSURE: 4724200 -127.647 -122.478 23.0161 -122.478 -393.211 70.0122 23.0159 70.0121 11.6722 GPRESSURE: 4724200 -120.245 -75.2513 63.7275 -61.078 -321.596 -6.96242 49.5651 151.851 6.20309 PRESSAVG: 4724200 -20.2913 6.95168 27.9749 6.95174 24.9403 32.2792 27.9749 32.2791 21.4579 GPRESSAVG: 4724200 -19.3278 7.967 27.3239 9.22343 25.734 30.5498 26.9934 32.4162 19.2081 TIMING: 4724200 CPU: 14983.7, 0.00313548/step Wall: 14983.7, 0.00313548/step, 0.240212 hours remaining, 240.093750 MB of memory in use. ENERGY: 4724200 3999.2555 20391.3392 14513.9780 244.0671 -203326.9048 2520.4564 0.0000 0.0000 52227.4442 -109430.3644 300.1518 -161657.8086 -109069.2264 299.5872 -169.7284 -145.2128 760619.1745 8.7023 8.5381 LDB: ============= START OF LOAD BALANCING ============== 14996.1 LDB: ============== END OF LOAD BALANCING =============== 14996.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14996.1 LDB: ============= START OF LOAD BALANCING ============== 14996.5 LDB: Largest compute 7069 load 0.035619 is 18.2% of average load 0.195629 LDB: Average compute 0.004360 is 2.2% of average load 0.195629 LDB: TIME 14996.5 LOAD: AVG 0.195629 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.766 MB LDB: TIME 14996.5 LOAD: AVG 0.195629 MAX 0.216428 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: TIME 14996.5 LOAD: AVG 0.195629 MAX 0.216428 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.969 MB LDB: ============== END OF LOAD BALANCING =============== 14996.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14996.5 PRESSURE: 4724400 86.9274 212.096 -26.8838 212.096 -208.269 -254.393 -26.8847 -254.392 -244.768 GPRESSURE: 4724400 -33.6912 237.649 16.2139 33.1584 -86.3145 -247.465 74.3182 -146.965 -171.648 PRESSAVG: 4724400 -9.23929 12.2839 -51.4714 12.2839 -18.7372 -29.7752 -51.4715 -29.7751 -14.212 GPRESSAVG: 4724400 -10.787 11.1004 -52.5646 10.1366 -19.4475 -28.5544 -47.5743 -30.1554 -12.1806 TIMING: 4724400 CPU: 14984.3, 0.00320498/step Wall: 14984.3, 0.00320497/step, 0.245359 hours remaining, 240.738281 MB of memory in use. ENERGY: 4724400 4024.4168 20726.4181 14496.5658 235.5710 -203405.7698 2488.1956 0.0000 0.0000 51810.2183 -109624.3841 297.7540 -161434.6024 -109268.8560 299.1527 -122.0364 -97.2180 761444.8508 -14.0628 -14.1384 PRESSURE: 4724600 -52.6686 7.12743 134.27 7.12688 -94.3832 142.193 134.27 142.194 -10.2316 GPRESSURE: 4724600 -15.5811 38.8514 76.5597 -50.6781 -72.0555 104.079 45.7199 40.0676 28.372 PRESSAVG: 4724600 13.5225 -3.9806 53.65 -3.98062 -63.9603 -14.4583 53.6501 -14.4583 19.693 GPRESSAVG: 4724600 14.7041 -2.65557 54.2983 -3.12838 -64.6616 -14.0451 53.1102 -15.4444 19.7669 TIMING: 4724600 CPU: 14985, 0.00313818/step Wall: 14985, 0.00313818/step, 0.240071 hours remaining, 240.996094 MB of memory in use. ENERGY: 4724600 3922.8500 20601.0371 14437.4478 232.2188 -203481.8595 2438.4628 0.0000 0.0000 52059.1915 -109790.6516 299.1849 -161849.8431 -109425.0227 298.7686 -52.4278 -19.7549 760710.1051 -10.2483 -10.0636 PRESSURE: 4724800 243.392 183.278 74.1011 183.279 168.212 -12.6374 74.1011 -12.6382 288.213 GPRESSURE: 4724800 143.456 251.813 67.1818 138.331 319.716 -94.2278 47.3492 -70.1983 338.442 PRESSAVG: 4724800 35.7294 -24.8531 -59.1073 -24.8531 -39.2951 -53.1219 -59.1073 -53.1219 21.8691 GPRESSAVG: 4724800 35.3577 -24.8181 -60.4126 -24.9869 -38.4445 -52.5283 -60.8149 -54.3482 21.7534 TIMING: 4724800 CPU: 14985.6, 0.00313367/step Wall: 14985.6, 0.00313367/step, 0.239552 hours remaining, 240.996094 MB of memory in use. ENERGY: 4724800 4071.7904 20513.6547 14417.2901 239.7238 -203596.4428 2469.6063 0.0000 0.0000 52218.9002 -109665.4772 300.1027 -161884.3774 -109306.5233 298.7664 233.2723 267.2045 760646.1504 6.1011 6.2222 PRESSURE: 4725000 -217.404 -118.514 60.1368 -118.514 114.782 -162.929 60.1372 -162.929 -301.333 GPRESSURE: 4725000 -175.05 -115.15 78.3174 -225.267 105.882 -66.8125 71.0288 -323.564 -261.433 PRESSAVG: 4725000 1.40772 -16.1342 21.6766 -16.1342 -0.867688 -5.1553 21.6766 -5.15532 -2.953 GPRESSAVG: 4725000 2.10594 -17.496 22.0548 -15.0081 -1.04288 -3.65834 24.3629 -5.76292 -3.59805 TIMING: 4725000 CPU: 14986.2, 0.00314585/step Wall: 14986.2, 0.00314585/step, 0.240308 hours remaining, 240.996094 MB of memory in use. ENERGY: 4725000 3944.3560 20500.4017 14552.1878 261.0885 -203427.4851 2554.6214 0.0000 0.0000 51919.3703 -109695.4594 298.3813 -161614.8297 -109328.2794 299.2071 -134.6517 -110.2004 761056.8036 -0.8043 -0.8450 PRESSURE: 4725200 -257.445 96.7262 20.9262 96.7259 -165.819 -48.3253 20.9268 -48.3254 -48.1908 GPRESSURE: 4725200 -231.101 107.457 79.4962 61.2211 -151.008 11.2343 2.28106 -129.846 -25.7284 PRESSAVG: 4725200 -20.2815 -21.0316 16.7032 -21.0316 16.7393 -8.53305 16.7032 -8.53303 -2.54439 GPRESSAVG: 4725200 -19.3699 -20.766 17.0976 -20.4841 16.0393 -10.6759 13.886 -6.29697 -2.88416 TIMING: 4725200 CPU: 14986.8, 0.00314583/step Wall: 14986.8, 0.00314583/step, 0.240132 hours remaining, 240.996094 MB of memory in use. ENERGY: 4725200 3996.4760 20609.0418 14517.8448 247.0800 -203361.3889 2476.8611 0.0000 0.0000 51901.3059 -109612.7793 298.2775 -161514.0851 -109252.1195 299.1634 -157.1515 -135.9459 761716.7193 -2.0289 -2.0716 PRESSURE: 4725400 313.414 -93.1057 122.006 -93.1059 182.518 -48.3632 122.006 -48.3625 -71.7802 GPRESSURE: 4725400 290.036 -76.6159 195.783 -74.4806 211.542 41.1726 94.4049 -63.7103 13.3116 PRESSAVG: 4725400 -22.3221 -43.7925 -15.3968 -43.7923 13.9677 -63.4634 -15.3968 -63.4632 -3.8942 GPRESSAVG: 4725400 -24.5755 -41.8667 -15.3005 -46.1379 15.8426 -62.0011 -13.4591 -65.3669 -3.26027 TIMING: 4725400 CPU: 14987.5, 0.00313583/step Wall: 14987.5, 0.00313583/step, 0.239194 hours remaining, 240.996094 MB of memory in use. ENERGY: 4725400 4003.5996 20411.9376 14509.7628 257.3156 -204302.8103 3068.6755 0.0000 0.0000 52310.9157 -109740.6035 300.6316 -162051.5193 -109378.4727 298.8600 141.3841 171.6301 758503.5640 -4.0829 -3.9977 PRESSURE: 4725600 -81.2144 -170.19 -201.022 -170.191 97.3928 109.938 -201.021 109.94 192.649 GPRESSURE: 4725600 47.9672 -66.4826 -144.705 -143.237 34.5745 7.42346 -118.884 14.3643 221.3 PRESSAVG: 4725600 46.6564 -1.04373 65.4368 -1.04382 -25.5174 -53.1565 65.4368 -53.1565 -5.19569 GPRESSAVG: 4725600 48.8346 -2.88698 64.9864 2.21668 -26.244 -53.7122 63.4294 -52.8225 -6.37437 TIMING: 4725600 CPU: 14988.1, 0.0031424/step Wall: 14988.1, 0.0031424/step, 0.239521 hours remaining, 240.996094 MB of memory in use. ENERGY: 4725600 4006.8790 20626.6921 14467.6793 249.1779 -203617.2777 2530.2640 0.0000 0.0000 52040.7721 -109695.8133 299.0790 -161736.5854 -109341.4157 299.5918 69.6091 101.2805 758753.2572 5.3144 5.4054 PRESSURE: 4725800 117.609 -0.186075 74.1024 -0.185916 127.265 -92.3459 74.1025 -92.3456 81.1379 GPRESSURE: 4725800 146.643 71.07 107.726 -36.2735 193.095 -35.2446 38.2611 -157.397 75.0353 PRESSAVG: 4725800 23.0334 8.491 -37.8304 8.49107 21.1605 -15.7075 -37.8304 -15.7075 -11.6202 GPRESSAVG: 4725800 22.009 8.93345 -36.8676 6.46889 20.9027 -16.9614 -36.4834 -14.1914 -11.0415 TIMING: 4725800 CPU: 14988.7, 0.0031411/step Wall: 14988.7, 0.0031411/step, 0.239247 hours remaining, 240.996094 MB of memory in use. ENERGY: 4725800 4072.7491 20605.0060 14497.1910 261.9385 -203684.2560 2661.0776 0.0000 0.0000 52185.4483 -109400.8454 299.9105 -161586.2937 -109041.5956 299.8297 108.6709 138.2579 758199.9757 10.8579 10.6234 PRESSURE: 4726000 -39.7193 -162.8 259.441 -162.8 -262.4 -78.9645 259.441 -78.9654 194.007 GPRESSURE: 4726000 -47.7085 -104.226 240.829 -229.684 -169.054 -125.195 242.166 -25.8724 201.731 PRESSAVG: 4726000 10.4364 25.887 -16.459 25.8871 -3.42892 -2.90154 -16.459 -2.90153 25.8297 GPRESSAVG: 4726000 10.3465 26.8805 -15.0888 25.9054 -2.10276 -3.35243 -18.4561 -3.03584 25.0348 TIMING: 4726000 CPU: 14989.4, 0.00316754/step Wall: 14989.4, 0.00316754/step, 0.241085 hours remaining, 240.996094 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: 4726000 3988.8770 20392.8795 14526.9396 257.9386 -203130.6342 2351.3386 0.0000 0.0000 52173.8428 -109438.8182 299.8438 -161612.6609 -109077.0119 300.1822 -36.0376 -5.0107 760519.5056 10.9457 11.0928 PRESSURE: 4726200 -223.419 127.41 -270.718 127.41 -195.553 -279.822 -270.717 -279.822 -271.045 GPRESSURE: 4726200 -157.856 58.9476 -246.557 195.814 -163.09 -239.025 -68.9957 -190.096 -289.239 PRESSAVG: 4726200 1.07441 36.8289 -36.2626 36.8289 -35.8059 -24.0122 -36.2626 -24.0122 -8.88909 GPRESSAVG: 4726200 0.561072 34.5251 -37.2937 37.5462 -36.3629 -22.2255 -32.5237 -24.2974 -7.97344 TIMING: 4726200 CPU: 14990, 0.00317226/step Wall: 14990, 0.00317226/step, 0.241268 hours remaining, 240.996094 MB of memory in use. ENERGY: 4726200 3994.0439 20486.8706 14518.6475 255.1873 -203323.6454 2338.4214 0.0000 0.0000 52372.0416 -109358.4331 300.9828 -161730.4747 -108991.2078 300.1161 -230.0059 -203.3952 760114.4765 -14.5402 -14.5917 PRESSURE: 4726400 -320.165 -106.484 -188.731 -106.484 -190.952 104.795 -188.731 104.795 -174.425 GPRESSURE: 4726400 -188.405 -133.674 -199.923 -78.3939 -231.915 68.8199 -155.856 90.3696 -189.965 PRESSAVG: 4726400 -30.9882 30.1563 -22.9197 30.1564 40.847 -26.9732 -22.9197 -26.9732 4.19666 GPRESSAVG: 4726400 -31.1151 29.5963 -22.4355 30.1053 39.979 -27.953 -24.4807 -26.7487 4.50579 TIMING: 4726400 CPU: 14990.6, 0.0031579/step Wall: 14990.6, 0.0031579/step, 0.24 hours remaining, 240.996094 MB of memory in use. ENERGY: 4726400 3982.4275 20404.1500 14428.1352 247.2459 -202833.9721 2329.1647 0.0000 0.0000 52169.8506 -109272.9982 299.8208 -161442.8489 -108898.3589 299.8139 -228.5141 -203.4284 762044.1364 4.6852 4.4566 PRESSURE: 4726600 -1.66702 -63.3236 12.0207 -63.3242 267.251 84.9957 12.0204 84.9955 61.4941 GPRESSURE: 4726600 102.383 -127.281 0.684685 -22.5411 276.808 104.415 40.475 80.7665 23.5762 PRESSAVG: 4726600 27.7944 -21.2857 -30.0308 -21.2857 -1.02284 -20.8239 -30.0308 -20.8238 3.98523 GPRESSAVG: 4726600 29.4345 -18.9613 -30.4479 -23.6806 -2.13018 -20.7223 -30.7123 -19.7104 4.00267 TIMING: 4726600 CPU: 14991.3, 0.00313628/step Wall: 14991.3, 0.00313628/step, 0.238183 hours remaining, 240.996094 MB of memory in use. ENERGY: 4726600 4012.5014 20560.3170 14521.4230 255.0071 -203186.8088 2470.4619 0.0000 0.0000 52164.0091 -109203.0893 299.7873 -161367.0985 -108836.6143 299.9586 109.0260 134.2557 758932.2229 10.2523 10.4357 PRESSURE: 4726800 77.2765 -16.8663 155.543 -16.8667 -206.417 -26.8023 155.543 -26.8023 232.867 GPRESSURE: 4726800 17.8998 -44.4302 119.53 -69.5902 -120.026 39.1024 193.405 -39.2388 279.852 PRESSAVG: 4726800 -23.299 -45.0836 5.01084 -45.0836 2.07024 6.24506 5.01082 6.24503 -0.817978 GPRESSAVG: 4726800 -24.8281 -47.0669 4.75544 -43.193 3.34441 7.07588 7.31204 4.10473 -0.787384 TIMING: 4726800 CPU: 14991.9, 0.0031275/step Wall: 14991.9, 0.0031275/step, 0.237343 hours remaining, 240.996094 MB of memory in use. ENERGY: 4726800 3985.7407 20618.0453 14442.1149 256.5195 -203196.1729 2547.0622 0.0000 0.0000 52237.7057 -109108.9846 300.2108 -161346.6903 -108743.6655 300.3151 34.5754 59.2420 761665.9603 -7.3489 -7.4237 PRESSURE: 4727000 -201.21 14.9591 -139.693 14.9585 -54.3543 -151.865 -139.693 -151.865 264.261 GPRESSURE: 4727000 -160.571 21.6611 -61.4995 -73.0979 21.571 -196.892 -168.63 -152.609 252.255 PRESSAVG: 4727000 0.01635 -61.3102 -43.442 -61.3102 -5.83248 -4.69824 -43.442 -4.69822 -1.29188 GPRESSAVG: 4727000 -0.341028 -60.0115 -42.6081 -62.8904 -5.29698 -7.5195 -45.6003 -4.34504 -1.16639 TIMING: 4727000 CPU: 14992.5, 0.00313129/step Wall: 14992.5, 0.00313129/step, 0.237456 hours remaining, 240.996094 MB of memory in use. ENERGY: 4727000 3963.2544 20665.5720 14496.4816 253.7897 -203352.1852 2579.0215 0.0000 0.0000 52297.0489 -109097.0172 300.5519 -161394.0660 -108745.1619 300.6609 2.8991 37.7519 760804.0292 -2.3693 -2.2681 PRESSURE: 4727200 -486.184 117.039 -57.9964 117.04 -422.834 -116.523 -57.9961 -116.523 69.309 GPRESSURE: 4727200 -451.791 56.9755 -66.1356 57.5481 -263.95 -88.3653 -61.2942 -189.15 -22.3613 PRESSAVG: 4727200 15.8937 -49.0017 -23.7609 -49.0016 0.0614256 -20.9729 -23.761 -20.973 19.3907 GPRESSAVG: 4727200 16.0629 -50.1442 -23.1735 -49.3757 -0.223748 -19.2572 -22.154 -20.2294 19.3629 TIMING: 4727200 CPU: 14993.1, 0.00312379/step Wall: 14993.1, 0.00312379/step, 0.236714 hours remaining, 240.996094 MB of memory in use. ENERGY: 4727200 4006.5167 20533.0163 14428.3352 262.3437 -202424.3692 2068.2380 0.0000 0.0000 52196.3856 -108929.5337 299.9733 -161125.9193 -108565.1414 300.9578 -279.9031 -246.0341 762979.8962 11.7819 11.7340 PRESSURE: 4727400 111.034 -116.792 -130.475 -116.793 -94.1228 -30.6097 -130.475 -30.6101 2.54496 GPRESSURE: 4727400 7.69571 -36.0156 -64.7217 -150.57 -11.2323 -50.4522 -185.608 -3.72581 82.6036 PRESSAVG: 4727400 48.4046 1.81693 0.712917 1.817 -2.67723 -5.55151 0.712878 -5.55158 8.36536 GPRESSAVG: 4727400 47.5216 0.37069 0.85751 4.29903 -2.61734 -7.27922 -0.644032 -4.76427 8.85179 TIMING: 4727400 CPU: 14993.8, 0.00313038/step Wall: 14993.8, 0.00313038/step, 0.237039 hours remaining, 240.996094 MB of memory in use. ENERGY: 4727400 4040.1879 20584.2148 14429.6609 267.1812 -203356.5885 2590.1483 0.0000 0.0000 52349.0325 -109096.1628 300.8506 -161445.1953 -108738.5565 300.9515 6.4856 26.3557 761689.8085 18.0309 17.9187 PRESSURE: 4727600 307.886 -138.44 3.40565 -138.441 368.054 -19.5212 3.40582 -19.5222 -187.105 GPRESSURE: 4727600 381.462 -105.732 11.5265 -18.9622 317.59 -53.021 -7.75279 7.73312 -133.935 PRESSAVG: 4727600 57.3581 -39.6069 -0.477122 -39.6069 -80.6851 -26.1117 -0.477095 -26.1116 7.56515 GPRESSAVG: 4727600 57.8605 -37.302 -1.15225 -39.7631 -80.441 -25.6211 -0.0662214 -25.4846 6.73529 TIMING: 4727600 CPU: 14994.4, 0.00314129/step Wall: 14994.4, 0.00314129/step, 0.237691 hours remaining, 240.996094 MB of memory in use. ENERGY: 4727600 4009.9322 20639.4258 14530.4186 266.1476 -203403.2024 2607.2120 0.0000 0.0000 52213.4871 -109136.5791 300.0716 -161350.0662 -108775.3368 300.5425 162.9451 188.3722 760434.1425 -5.2539 -5.2818 PRESSURE: 4727800 156.179 -4.18073 80.0835 -4.17996 -264.916 273.285 80.084 273.285 85.6169 GPRESSURE: 4727800 142.975 -48.1752 79.31 108.67 -90.6812 214.67 260.638 146.99 2.05232 PRESSAVG: 4727800 -21.0613 -20.6439 48.6488 -20.6439 11.6889 -24.8255 48.6488 -24.8254 -1.20759 GPRESSAVG: 4727800 -20.0744 -20.8305 47.307 -21.7263 11.4357 -23.7175 48.9508 -27.0987 -1.3605 TIMING: 4727800 CPU: 14995, 0.00315185/step Wall: 14995, 0.00315185/step, 0.238315 hours remaining, 240.996094 MB of memory in use. ENERGY: 4727800 4005.5613 20543.1247 14507.8668 274.0722 -203095.0285 2455.8610 0.0000 0.0000 52292.3944 -109016.1482 300.5251 -161308.5426 -108655.3557 300.4449 -7.7066 18.1155 762041.8754 -3.5266 -3.3331 PRESSURE: 4728000 -21.267 -8.6143 -62.1188 -8.61398 277.824 -141.143 -62.119 -141.143 -132.764 GPRESSURE: 4728000 0.0690412 -118.001 -28.5321 11.986 329.343 -147.229 -46.1036 102.232 -98.2153 PRESSAVG: 4728000 -10.0241 -44.9681 20.383 -44.9682 -21.6113 -29.5422 20.383 -29.5422 1.01685 GPRESSAVG: 4728000 -11.0415 -46.3699 21.9414 -45.3748 -22.2522 -29.6159 20.5234 -28.9959 3.13234 TIMING: 4728000 CPU: 14995.6, 0.00313683/step Wall: 14995.6, 0.00313683/step, 0.237005 hours remaining, 240.996094 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: 4728000 4026.6192 20518.5926 14489.1677 268.1261 -203353.0253 2683.9343 0.0000 0.0000 52218.9334 -109147.6521 300.1029 -161366.5855 -108790.0611 300.4052 41.2642 77.0657 762945.8615 -10.2062 -10.0538 PRESSURE: 4728200 -2.32029 19.6663 186.731 19.6662 -218.546 82.0773 186.732 82.0766 269.077 GPRESSURE: 4728200 -9.44092 -41.1259 184.123 101.594 -193.501 42.5995 151.039 196.5 318.129 PRESSAVG: 4728200 74.2581 12.9647 47.8424 12.9647 -52.1908 36.6868 47.8424 36.6868 -13.0978 GPRESSAVG: 4728200 74.6128 12.9424 46.5737 12.9094 -51.102 36.0902 46.7067 36.7397 -15.2164 TIMING: 4728200 CPU: 14996.3, 0.00313052/step Wall: 14996.3, 0.00313052/step, 0.236355 hours remaining, 240.996094 MB of memory in use. ENERGY: 4728200 4005.0644 20457.5922 14441.8279 252.2165 -203337.9924 2494.1546 0.0000 0.0000 52102.7321 -109584.4045 299.4351 -161687.1366 -109216.9966 299.8854 16.0701 38.3958 761025.6856 2.9898 2.7648 LDB: ============= START OF LOAD BALANCING ============== 15008.7 LDB: ============== END OF LOAD BALANCING =============== 15008.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15008.7 LDB: ============= START OF LOAD BALANCING ============== 15009 LDB: Largest compute 7069 load 0.036495 is 18.7% of average load 0.195526 LDB: Average compute 0.004373 is 2.2% of average load 0.195526 LDB: TIME 15009 LOAD: AVG 0.195526 MAX 0.21708 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 15009 LOAD: AVG 0.195526 MAX 0.21708 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: TIME 15009 LOAD: AVG 0.195526 MAX 0.21708 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.09 MB LDB: ============== END OF LOAD BALANCING =============== 15009 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15009 PRESSURE: 4728400 -248.918 70.9878 -40.4083 70.988 -316.949 35.5118 -40.4083 35.5114 -375.576 GPRESSURE: 4728400 -198.904 104.524 1.5265 49.9227 -320.598 18.8885 -48.8903 89.4649 -330.686 PRESSAVG: 4728400 -27.1033 -0.668414 23.6093 -0.668398 -1.5807 -2.25235 23.6093 -2.25233 11.312 GPRESSAVG: 4728400 -26.1577 0.539838 23.3423 0.676866 -2.41055 0.28438 23.5931 -4.49065 12.1989 TIMING: 4728400 CPU: 14996.9, 0.00318899/step Wall: 14996.9, 0.00318899/step, 0.240592 hours remaining, 239.621094 MB of memory in use. ENERGY: 4728400 4031.9379 20357.6270 14509.5006 258.8324 -202894.4665 2107.0630 0.0000 0.0000 52123.6455 -109505.8600 299.5553 -161629.5055 -109127.1200 299.4461 -313.8141 -283.3959 762417.0011 -5.7907 -5.4565 PRESSURE: 4728600 231.793 -148.879 -154.591 -148.879 -77.9026 106.048 -154.591 106.048 52.1565 GPRESSURE: 4728600 252.754 -213.704 -171.834 -168.896 12.1671 102.238 -188.821 58.5459 15.5181 PRESSAVG: 4728600 -7.30471 -56.6372 -23.3186 -56.6372 -39.1189 -43.2042 -23.3186 -43.2042 6.16053 GPRESSAVG: 4728600 -6.93675 -57.1969 -21.2083 -58.4182 -39.038 -45.0656 -23.3413 -40.6765 5.50165 TIMING: 4728600 CPU: 14997.5, 0.00312633/step Wall: 14997.5, 0.00312633/step, 0.23569 hours remaining, 239.824219 MB of memory in use. ENERGY: 4728600 4055.8334 20416.9101 14453.2413 242.7941 -203304.0243 2540.4552 0.0000 0.0000 52085.5342 -109509.2561 299.3363 -161594.7903 -109136.9229 299.3390 68.6825 93.4799 760955.5574 -13.4210 -13.4910 PRESSURE: 4728800 -87.1147 3.45759 27.045 3.45706 179.705 97.2937 27.0445 97.2933 242.243 GPRESSURE: 4728800 -110.1 38.5426 86.251 41.4598 304.764 88.8204 -28.2589 121.411 226.215 PRESSAVG: 4728800 -19.6528 -20.5945 -32.822 -20.5945 13.7716 45.3172 -32.822 45.3173 0.198229 GPRESSAVG: 4728800 -20.6163 -19.0419 -33.7313 -19.7453 14.1931 44.6887 -32.6504 46.1616 0.527119 TIMING: 4728800 CPU: 14998.2, 0.00312753/step Wall: 14998.2, 0.00312753/step, 0.235607 hours remaining, 239.824219 MB of memory in use. ENERGY: 4728800 3959.8920 20452.2128 14470.9726 220.9799 -203428.0206 2599.6784 0.0000 0.0000 52263.7868 -109460.4982 300.3607 -161724.2850 -109093.1388 299.3248 111.6111 140.2929 761230.8845 -1.8943 -1.9654 PRESSURE: 4729000 126.619 169.638 191.935 169.637 6.75031 -100.132 191.935 -100.132 283.07 GPRESSURE: 4729000 145.515 100.101 231.012 211.465 59.2399 -97.2791 9.8798 -45.362 275.236 PRESSAVG: 4729000 37.0596 -0.703117 2.46116 -0.703173 -41.6129 71.5156 2.46122 71.5157 15.1793 GPRESSAVG: 4729000 37.0308 -2.87272 2.61929 -1.31465 -42.2937 72.2257 2.32839 70.1314 15.5659 TIMING: 4729000 CPU: 14998.8, 0.00313236/step Wall: 14998.8, 0.00313236/step, 0.235797 hours remaining, 239.824219 MB of memory in use. ENERGY: 4729000 3970.9150 20600.6587 14463.0662 254.8744 -203192.1205 2326.8064 0.0000 0.0000 52260.6166 -109315.1832 300.3425 -161575.7997 -108945.2176 299.9157 138.8132 159.9969 759782.5967 3.5420 3.4343 PRESSURE: 4729200 -149.214 -120.146 -34.006 -120.145 18.1894 -212.162 -34.0059 -212.161 -118.536 GPRESSURE: 4729200 -86.4456 -103.011 7.62471 -73.2037 27.6575 -157.49 -47.4669 -160.53 -122.348 PRESSAVG: 4729200 -33.3997 21.5015 37.8104 21.5016 14.6487 -28.6234 37.8104 -28.6234 6.58839 GPRESSAVG: 4729200 -32.6933 23.3546 38.2816 21.0606 14.0011 -29.162 37.4109 -27.1314 6.48877 TIMING: 4729200 CPU: 14999.4, 0.00312681/step Wall: 14999.4, 0.00312681/step, 0.235206 hours remaining, 239.824219 MB of memory in use. ENERGY: 4729200 4003.5255 20601.6111 14390.9646 225.7048 -203342.3054 2604.2890 0.0000 0.0000 52050.1171 -109466.0933 299.1327 -161516.2103 -109102.0950 300.0467 -83.1866 -60.3788 760793.1170 -4.0542 -4.0678 PRESSURE: 4729400 42.7107 -177.271 -57.8832 -177.271 -89.2273 233.048 -57.8835 233.048 12.2347 GPRESSURE: 4729400 50.2487 -74.156 -148.971 -103.171 -27.151 171.759 92.2931 214.79 24.0736 PRESSAVG: 4729400 3.98448 19.8856 32.4945 19.8856 42.9874 -15.9659 32.4946 -15.966 -1.36045 GPRESSAVG: 4729400 3.60264 18.9823 32.2222 21.3841 43.5184 -16.6845 34.9393 -17.4573 -1.36321 TIMING: 4729400 CPU: 15000, 0.00311055/step Wall: 15000, 0.00311055/step, 0.23381 hours remaining, 239.824219 MB of memory in use. ENERGY: 4729400 4032.1719 20439.1525 14517.6444 244.0404 -203528.0111 2570.5701 0.0000 0.0000 52282.2121 -109442.2197 300.4666 -161724.4319 -109079.9581 299.8670 -11.4273 15.7238 761259.2053 15.2038 15.2526 PRESSURE: 4729600 400.712 -119.44 147.749 -119.44 -444.193 -91.0401 147.748 -91.0405 -73.7522 GPRESSURE: 4729600 313.272 -98.8554 59.7587 -135.724 -380.871 -105.541 35.1614 -58.2437 12.8367 PRESSAVG: 4729600 1.07909 54.1956 42.5758 54.1955 4.72959 -36.2191 42.5758 -36.2192 -38.0231 GPRESSAVG: 4729600 0.431264 54.4864 42.2278 53.112 5.3173 -36.0114 41.6808 -36.9778 -38.15 TIMING: 4729600 CPU: 15000.7, 0.00311618/step Wall: 15000.7, 0.00311618/step, 0.234059 hours remaining, 239.824219 MB of memory in use. ENERGY: 4729600 3966.1290 20662.9840 14455.3126 238.6575 -202687.9589 1973.3914 0.0000 0.0000 52003.2284 -109388.2561 298.8633 -161391.4845 -109030.1854 299.8368 -39.0778 -18.2540 761883.0639 -10.7381 -10.8005 PRESSURE: 4729800 217.33 96.1071 43.1329 96.1058 122.365 25.3766 43.1328 25.3759 163.982 GPRESSURE: 4729800 219.48 100.011 80.7228 23.1992 151.108 70.9246 25.9169 35.8288 192.678 PRESSAVG: 4729800 34.9636 -2.02595 18.798 -2.026 -26.0089 -4.95449 18.798 -4.95455 -9.33721 GPRESSAVG: 4729800 35.9757 -2.63459 18.5835 -1.0746 -26.9517 -4.7467 18.5441 -3.37345 -8.87353 TIMING: 4729800 CPU: 15001.3, 0.00310859/step Wall: 15001.3, 0.00310859/step, 0.233317 hours remaining, 239.824219 MB of memory in use. ENERGY: 4729800 3967.1696 20613.3099 14392.2327 236.5038 -203827.1352 2698.0216 0.0000 0.0000 52272.1649 -109647.7327 300.4089 -161919.8976 -109285.6275 299.3111 167.8924 187.7551 759790.4659 -0.1275 0.0501 PRESSURE: 4730000 -97.1288 -109.55 261 -109.549 -441.664 -15.1707 261 -15.1703 17.9728 GPRESSURE: 4730000 -66.4498 -31.896 246.66 -93.9207 -345.989 -30.0267 327.509 106.311 -8.58375 PRESSAVG: 4730000 25.0654 16.4389 33.4222 16.439 -9.21655 -0.837563 33.4222 -0.837695 20.3895 GPRESSAVG: 4730000 24.1807 16.8203 33.7603 16.1348 -8.26908 -0.57064 33.5957 -1.64611 20.557 TIMING: 4730000 CPU: 15001.9, 0.00312289/step Wall: 15001.9, 0.00312289/step, 0.234217 hours remaining, 239.824219 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: 4730000 4057.3735 20502.3374 14431.8827 238.5230 -203420.7352 2449.1586 0.0000 0.0000 51940.2793 -109801.1806 298.5015 -161741.4599 -109433.7360 299.0212 -173.6065 -140.3409 760479.7664 12.0794 12.1562 PRESSURE: 4730200 -15.3716 160.821 -36.5662 160.821 -352.447 -275.281 -36.5668 -275.28 264.543 GPRESSURE: 4730200 9.90198 117.681 -55.8192 103.079 -281.767 -221.863 39.107 -382.032 237.086 PRESSAVG: 4730200 29.4691 -70.4677 38.7101 -70.4676 -55.2759 -40.5931 38.7101 -40.5931 -17.7915 GPRESSAVG: 4730200 30.7259 -71.3049 40.132 -69.86 -55.9081 -42.2605 37.8789 -40.3399 -18.2652 TIMING: 4730200 CPU: 15002.5, 0.0031209/step Wall: 15002.5, 0.0031209/step, 0.233894 hours remaining, 239.824219 MB of memory in use. ENERGY: 4730200 3965.7673 20459.1258 14392.7556 249.4802 -203024.9296 2131.8015 0.0000 0.0000 51841.7318 -109984.2673 297.9351 -161825.9992 -109620.8889 298.9332 -34.4252 -11.5931 762327.0483 -14.5328 -14.4825 PRESSURE: 4730400 439.803 -193.694 35.7332 -193.694 -89.0401 359.04 35.7327 359.039 219.655 GPRESSURE: 4730400 417.598 -114.645 -50.407 -216.91 -12.11 363.962 4.09694 197.106 236.453 PRESSAVG: 4730400 53.7616 -14.9123 54.2505 -14.9123 -34.4277 52.0074 54.2504 52.0073 7.75208 GPRESSAVG: 4730400 54.3352 -14.0376 52.1827 -14.5011 -35.1709 53.7279 54.3249 50.3073 7.98914 TIMING: 4730400 CPU: 15003.1, 0.00312074/step Wall: 15003.1, 0.00312074/step, 0.233709 hours remaining, 239.824219 MB of memory in use. ENERGY: 4730400 3985.5912 20587.9748 14413.2817 236.0460 -203873.9617 2795.5404 0.0000 0.0000 51827.2934 -110028.2344 297.8522 -161855.5277 -109664.9939 298.5925 190.1395 213.9804 758699.6542 9.0286 9.0511 PRESSURE: 4730600 74.8757 84.1276 -195.51 84.1285 -103.136 44.3152 -195.511 44.315 -223.727 GPRESSURE: 4730600 75.0417 100.629 -173.169 -63.9469 -69.342 25.2387 -50.2174 231.221 -170.649 PRESSAVG: 4730600 17.9897 48.1255 -4.73566 48.1255 -25.7135 -7.95896 -4.73565 -7.95902 -4.5474 GPRESSAVG: 4730600 16.9553 46.684 -4.46077 47.801 -25.228 -7.77652 -4.28562 -6.8311 -4.03946 TIMING: 4730600 CPU: 15003.8, 0.00311087/step Wall: 15003.8, 0.00311087/step, 0.232797 hours remaining, 239.824219 MB of memory in use. ENERGY: 4730600 3979.0332 20588.7288 14448.1371 263.6462 -204076.5486 2844.1779 0.0000 0.0000 51992.4004 -109960.4250 298.8010 -161952.8254 -109604.4838 298.9619 -83.9958 -54.9832 759869.0278 -4.0904 -4.1041 PRESSURE: 4730800 183.675 -155.414 -4.70733 -155.414 311.465 -26.2498 -4.70619 -26.2495 170.343 GPRESSURE: 4730800 244.82 -74.4547 -32.782 -110.095 331.765 103.433 196.461 -140.918 175.069 PRESSAVG: 4730800 -26.6812 31.8922 15.0498 31.8922 25.8774 -8.41775 15.0498 -8.41771 18.0868 GPRESSAVG: 4730800 -27.4498 33.0845 15.7916 31.1559 26.4121 -7.83342 14.7201 -9.05 18.5661 TIMING: 4730800 CPU: 15004.4, 0.00310328/step Wall: 15004.4, 0.00310328/step, 0.232056 hours remaining, 239.824219 MB of memory in use. ENERGY: 4730800 3910.5333 20428.9347 14451.0974 264.4409 -204100.4458 2822.6189 0.0000 0.0000 52311.2763 -109911.5444 300.6336 -162222.8207 -109550.4603 298.8128 221.8277 250.5514 759582.8575 5.7610 5.8428 PRESSURE: 4731000 -271.049 -70.556 201.526 -70.5572 -266.17 226.551 201.526 226.552 -286.697 GPRESSURE: 4731000 -173.556 29.2558 183.98 -52.1873 -270.334 193.107 61.1422 73.1176 -295.682 PRESSAVG: 4731000 -55.4858 -46.053 67.1453 -46.053 35.5331 -34.353 67.1453 -34.353 21.5041 GPRESSAVG: 4731000 -54.2825 -45.2711 66.2258 -45.0362 36.0056 -36.1865 70.1719 -33.4707 19.2887 TIMING: 4731000 CPU: 15005, 0.00312288/step Wall: 15005, 0.00312288/step, 0.233349 hours remaining, 239.824219 MB of memory in use. ENERGY: 4731000 4060.3803 20499.8435 14408.8839 259.2163 -203638.9920 2555.8929 0.0000 0.0000 51913.2260 -109941.5491 298.3460 -161854.7751 -109579.5592 299.1994 -274.6388 -246.5241 759310.3900 0.5171 0.3373 PRESSURE: 4731200 -297.475 89.8816 -157.819 89.8814 -110.771 -216.432 -157.819 -216.431 -307.309 GPRESSURE: 4731200 -157.849 -39.3912 -200.444 60.9537 -200.995 -175.265 -117.02 -105.554 -254.115 PRESSAVG: 4731200 11.6279 -17.8956 15.941 -17.8956 -2.21627 -12.6304 15.9411 -12.6304 8.73709 GPRESSAVG: 4731200 12.5538 -21.067 16.8349 -18.0077 -4.4745 -10.9044 13.8234 -12.9884 9.71527 TIMING: 4731200 CPU: 15005.6, 0.00312495/step Wall: 15005.6, 0.00312495/step, 0.233329 hours remaining, 239.824219 MB of memory in use. ENERGY: 4731200 4087.3665 20567.8172 14487.2321 230.4950 -203304.1417 2120.6737 0.0000 0.0000 52019.6369 -109790.9203 298.9576 -161810.5572 -109436.8442 299.3462 -238.5185 -204.3195 758697.3188 6.0496 5.9315 PRESSURE: 4731400 -308.43 -106.466 -12.6338 -106.465 -243.771 -200.914 -12.6343 -200.913 -281.61 GPRESSURE: 4731400 -336.388 -25.0291 -59.0315 0.117394 -134.674 -265.678 -29.0784 -251.689 -269.068 PRESSAVG: 4731400 4.74853 -70.5125 -46.243 -70.5125 -1.3673 -41.5481 -46.243 -41.5481 13.1548 GPRESSAVG: 4731400 3.09373 -68.4329 -47.6243 -69.2913 1.22711 -41.2029 -44.2122 -41.0085 11.9399 TIMING: 4731400 CPU: 15006.3, 0.0031111/step Wall: 15006.3, 0.0031111/step, 0.232123 hours remaining, 239.824219 MB of memory in use. ENERGY: 4731400 3994.9959 20445.4987 14441.1733 240.9335 -203306.1784 2351.2246 0.0000 0.0000 52197.9347 -109634.4176 299.9822 -161832.3523 -109269.1207 299.3133 -277.9372 -246.7101 760128.7603 5.5120 5.4202 PRESSURE: 4731600 -39.3432 7.02118 232.194 7.02074 207.613 69.3959 232.194 69.3959 -503.991 GPRESSURE: 4731600 -38.8831 77.9633 140.315 127.561 199.289 103.571 220.163 13.6398 -404.281 PRESSAVG: 4731600 -40.8717 -21.0331 7.47655 -21.0332 62.8523 -11.7596 7.4765 -11.7596 -3.44696 GPRESSAVG: 4731600 -41.3978 -20.5679 9.07986 -21.5421 61.0807 -12.601 5.37512 -11.4597 -1.33258 TIMING: 4731600 CPU: 15006.9, 0.00311999/step Wall: 15006.9, 0.00311999/step, 0.232613 hours remaining, 239.824219 MB of memory in use. ENERGY: 4731600 3988.0214 20524.2215 14406.7801 255.1977 -203635.0193 2554.2372 0.0000 0.0000 52181.5262 -109725.0352 299.8879 -161906.5614 -109360.1206 299.8362 -111.9070 -81.2916 759377.5093 6.1779 6.1168 PRESSURE: 4731800 233.844 75.9153 -256.541 75.9158 22.7058 41.2027 -256.541 41.2039 -462.89 GPRESSURE: 4731800 251.391 68.8206 -211.492 111.795 -9.31313 113.032 -287.888 1.64756 -371.885 PRESSAVG: 4731800 -64.7428 -14.4743 30.8595 -14.4743 31.3964 -36.4777 30.8595 -36.4777 3.90934 GPRESSAVG: 4731800 -65.2875 -14.838 31.5767 -14.4283 31.9378 -36.0703 31.1948 -35.9914 3.48332 TIMING: 4731800 CPU: 15007.5, 0.00311718/step Wall: 15007.5, 0.00311718/step, 0.23223 hours remaining, 239.824219 MB of memory in use. ENERGY: 4731800 4015.4442 20420.9143 14543.2024 253.0848 -203332.1148 2384.2592 0.0000 0.0000 51940.6639 -109774.5459 298.5037 -161715.2098 -109411.1648 298.8632 -68.7803 -43.2691 760273.4033 -9.8123 -9.9555 PRESSURE: 4732000 -226.654 -13.9851 -44.0605 -13.9861 213.968 29.8977 -44.0593 29.8975 -274.738 GPRESSURE: 4732000 -179.207 19.8163 -73.9559 38.9207 152.779 23.0234 35.6572 137.873 -199.357 PRESSAVG: 4732000 24.8945 -18.2492 13.442 -18.2492 -45.2287 -32.5073 13.442 -32.5073 -4.21976 GPRESSAVG: 4732000 25.7913 -19.7862 13.1319 -18.2552 -44.7769 -33.1786 12.6008 -32.32 -5.61409 TIMING: 4732000 CPU: 15008.1, 0.00312414/step Wall: 15008.1, 0.00312414/step, 0.232575 hours remaining, 239.824219 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: 4732000 4042.5550 20438.1211 14521.1864 238.3126 -203687.4108 2602.7264 0.0000 0.0000 51745.1837 -110099.3255 297.3803 -161844.5092 -109740.8580 298.6096 -95.8083 -75.2615 759382.1444 -8.1846 -8.1999 PRESSURE: 4732200 -12.7091 -68.287 61.8143 -68.2875 -126.725 -336.955 61.814 -336.955 330.554 GPRESSURE: 4732200 68.4058 -167.22 48.3489 -4.8826 -88.2397 -301.185 102.865 -206.912 273.808 PRESSAVG: 4732200 101.452 -25.2265 13.6731 -25.2265 -72.0703 14.1527 13.6731 14.1526 13.8387 GPRESSAVG: 4732200 101.563 -23.0728 14.3085 -26.6888 -71.2856 14.7025 13.6026 15.067 12.6828 TIMING: 4732200 CPU: 15008.8, 0.0031141/step Wall: 15008.8, 0.0031141/step, 0.231655 hours remaining, 239.824219 MB of memory in use. ENERGY: 4732200 4067.9267 20527.1529 14479.5212 233.6101 -203606.2868 2586.5099 0.0000 0.0000 51674.5885 -110036.9776 296.9746 -161711.5661 -109673.6816 298.3037 63.7067 84.6580 759098.8869 14.4068 14.3201 LDB: ============= START OF LOAD BALANCING ============== 15021.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15021.2 LDB: =============== DONE WITH MIGRATION ================ 15021.2 LDB: ============= START OF LOAD BALANCING ============== 15021.5 LDB: Largest compute 7059 load 0.033294 is 17.0% of average load 0.195529 LDB: Average compute 0.004367 is 2.2% of average load 0.195529 LDB: TIME 15021.5 LOAD: AVG 0.195529 MAX 0.212705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.16 MB LDB: TIME 15021.5 LOAD: AVG 0.195529 MAX 0.212705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.227 MB LDB: TIME 15021.5 LOAD: AVG 0.195529 MAX 0.212705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.227 MB LDB: ============== END OF LOAD BALANCING =============== 15021.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15021.5 PRESSURE: 4732400 -316.972 -89.152 29.0843 -89.1516 195.421 -304.736 29.0839 -304.737 -472.615 GPRESSURE: 4732400 -342.01 -117.748 -6.2082 -15.7341 232.084 -265.971 51.9293 -396.851 -402.022 PRESSAVG: 4732400 -21.8743 -30.8475 -6.31502 -30.8474 -24.5235 -35.4857 -6.31502 -35.4856 -9.50289 GPRESSAVG: 4732400 -22.8329 -30.8933 -7.83947 -32.9888 -24.6995 -35.017 -3.98839 -36.2405 -8.11279 TIMING: 4732400 CPU: 15009.4, 0.0031977/step Wall: 15009.4, 0.0031977/step, 0.237696 hours remaining, 240.609375 MB of memory in use. ENERGY: 4732400 3965.3709 20411.1898 14487.6778 245.6383 -203852.4963 2664.2759 0.0000 0.0000 52166.6073 -109911.7363 299.8022 -162078.3436 -109556.6714 298.8337 -198.0553 -170.6494 759378.4733 -18.6335 -18.5484 PRESSURE: 4732600 384.551 128.637 2.14415 128.637 107.048 7.48469 2.14426 7.48513 121.735 GPRESSURE: 4732600 401.219 238.027 20.0997 95.9862 166.52 34.0303 134.815 2.31242 131.428 PRESSAVG: 4732600 64.409 6.41799 -21.6209 6.41798 -68.9795 -14.9386 -21.621 -14.9386 -6.61637 GPRESSAVG: 4732600 65.7946 3.768 -20.8839 10.2033 -69.0299 -16.09 -22.8361 -14.4932 -7.73773 TIMING: 4732600 CPU: 15010, 0.00312622/step Wall: 15010, 0.00312622/step, 0.232208 hours remaining, 240.867188 MB of memory in use. ENERGY: 4732600 3963.5092 20316.2381 14502.5994 247.8115 -203541.0685 2651.3595 0.0000 0.0000 51922.5798 -109936.9710 298.3998 -161859.5508 -109586.1418 298.3726 204.4446 233.0557 758958.5965 -3.7290 -3.6577 PRESSURE: 4732800 -13.6132 -105.098 -255.652 -105.097 141.055 81.4664 -255.652 81.466 -8.91302 GPRESSURE: 4732800 46.0799 -52.6597 -316.113 -121.291 156.621 76.9884 -185.835 68.8863 10.955 PRESSAVG: 4732800 -10.4527 -9.80727 18.58 -9.80727 2.82778 -58.1861 18.5799 -58.1862 -16.6508 GPRESSAVG: 4732800 -11.3306 -7.26866 18.0892 -10.9578 2.58441 -58.1028 17.3449 -57.0383 -15.8056 TIMING: 4732800 CPU: 15010.6, 0.00311405/step Wall: 15010.6, 0.00311405/step, 0.231131 hours remaining, 240.867188 MB of memory in use. ENERGY: 4732800 3979.3458 20306.6594 14451.3023 266.9515 -203706.5888 2747.2526 0.0000 0.0000 52015.9274 -109939.1498 298.9362 -161955.0771 -109576.5668 298.3317 39.5095 71.2187 760235.9058 -8.0919 -8.1839 PRESSURE: 4733000 93.0183 -97.5068 151.758 -97.5067 251.407 -124.775 151.758 -124.775 15.5525 GPRESSURE: 4733000 179.122 -70.519 43.814 6.88297 255.485 -123.551 168.645 -115.225 -1.49787 PRESSAVG: 4733000 48.5131 -18.6812 -14.2197 -18.6812 -15.6813 -21.1124 -14.2197 -21.1124 -3.51676 GPRESSAVG: 4733000 48.2797 -21.8343 -13.839 -16.7878 -16.4396 -21.7496 -14.364 -21.4798 -2.88762 TIMING: 4733000 CPU: 15011.3, 0.00313561/step Wall: 15011.3, 0.00313561/step, 0.232558 hours remaining, 240.867188 MB of memory in use. ENERGY: 4733000 3986.9502 20331.1284 14498.1282 234.8182 -203691.8826 2643.7987 0.0000 0.0000 51965.0572 -110032.0018 298.6439 -161997.0589 -109663.9113 298.5319 119.9926 144.3697 758361.3623 9.7717 9.6508 PRESSURE: 4733200 -158.008 66.4583 -36.4813 66.4585 -68.197 141.45 -36.4806 141.45 -268.224 GPRESSURE: 4733200 -155.401 -14.0875 -4.62572 -68.3874 -47.8156 36.7757 -109.354 59.8358 -230.659 PRESSAVG: 4733200 71.3396 -50.8847 -8.18575 -50.8847 -56.385 -42.1099 -8.18571 -42.11 -4.19523 GPRESSAVG: 4733200 71.1916 -49.7768 -8.13837 -51.6193 -55.0902 -42.0764 -5.57306 -43.0521 -4.05636 TIMING: 4733200 CPU: 15011.9, 0.00313235/step Wall: 15011.9, 0.00313235/step, 0.232142 hours remaining, 240.867188 MB of memory in use. ENERGY: 4733200 4006.3855 20425.3491 14493.8194 239.8115 -203686.5101 2562.0720 0.0000 0.0000 52103.1712 -109855.9014 299.4376 -161959.0726 -109494.9691 298.5921 -164.8095 -144.6252 760052.0508 3.5865 4.0150 PRESSURE: 4733400 -215.435 -88.9513 181.11 -88.9515 144.195 26.4065 181.11 26.4057 30.5435 GPRESSURE: 4733400 -146.471 14.4181 203.421 -84.6605 146.498 -50.1021 -18.9424 -27.2537 31.0698 PRESSAVG: 4733400 32.0078 -49.9806 -6.29519 -49.9806 -53.6933 1.83946 -6.29517 1.83933 -16.1088 GPRESSAVG: 4733400 32.597 -49.8338 -7.31166 -48.2548 -53.3984 1.82102 -6.65416 1.32152 -16.5195 TIMING: 4733400 CPU: 15012.5, 0.00312647/step Wall: 15012.5, 0.00312647/step, 0.231532 hours remaining, 240.867188 MB of memory in use. ENERGY: 4733400 3899.7518 20430.8687 14437.2194 228.5043 -203289.8013 2409.7766 0.0000 0.0000 52117.5874 -109766.0931 299.5205 -161883.6805 -109408.0818 298.6108 -13.5656 10.3654 760920.0757 -12.5981 -12.4403 PRESSURE: 4733600 -192.798 10.6682 -153.656 10.6674 -348.567 -121.783 -153.657 -121.782 78.6406 GPRESSURE: 4733600 -221.935 4.61978 -224.111 -0.87522 -302.97 -84.5699 9.00432 -63.3761 149.945 PRESSAVG: 4733600 -1.35241 32.2846 -6.91606 32.2846 -20.1656 49.1765 -6.916 49.1765 7.2777 GPRESSAVG: 4733600 -0.780723 32.6551 -5.06042 33.0705 -20.3381 49.4886 -9.21419 51.1004 7.69453 TIMING: 4733600 CPU: 15013.1, 0.00313208/step Wall: 15013.1, 0.00313208/step, 0.231774 hours remaining, 240.867188 MB of memory in use. ENERGY: 4733600 3948.0024 20478.6352 14464.9576 244.0388 -202818.9241 1962.9044 0.0000 0.0000 51932.6379 -109787.7478 298.4576 -161720.3857 -109413.1664 298.3826 -154.2415 -124.9865 761498.5439 -4.7468 -4.4748 PRESSURE: 4733800 -330.456 108.63 -263.344 108.629 -434.668 149.534 -263.345 149.535 33.6812 GPRESSURE: 4733800 -218.299 127.985 -314.823 197.608 -427.815 135.589 -158.132 85.915 -18.6793 PRESSAVG: 4733800 29.5524 44.9501 -87.2714 44.9502 -51.7404 44.6574 -87.2714 44.6574 -12.5198 GPRESSAVG: 4733800 30.2106 44.8824 -88.1516 43.5742 -51.1254 43.9764 -82.8614 46.1643 -14.0385 TIMING: 4733800 CPU: 15013.8, 0.00313564/step Wall: 15013.8, 0.00313564/step, 0.231863 hours remaining, 240.867188 MB of memory in use. ENERGY: 4733800 3934.0897 20321.1687 14424.1661 277.2084 -203036.9298 2403.5235 0.0000 0.0000 51804.3675 -109872.4058 297.7204 -161676.7733 -109506.8682 298.0216 -243.8144 -221.5978 760340.2358 -11.5693 -11.6511 PRESSURE: 4734000 -35.3815 104.607 56.5207 104.607 0.868665 -154.737 56.5209 -154.737 111.983 GPRESSURE: 4734000 89.1065 216.362 77.5591 162.103 -38.9655 -196.432 49.8387 -55.3519 116.352 PRESSAVG: 4734000 -2.97379 53.1473 -11.2865 53.1473 -42.3263 -2.50777 -11.2865 -2.50781 2.58529 GPRESSAVG: 4734000 -1.56025 52.7141 -10.5974 52.9355 -43.5401 -2.93441 -14.8459 -4.64603 2.69752 TIMING: 4734000 CPU: 15014.4, 0.00312447/step Wall: 15014.4, 0.00312447/step, 0.230864 hours remaining, 240.867188 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: 4734000 4040.7961 20324.5463 14447.0952 237.8745 -203408.3859 2481.3470 0.0000 0.0000 52245.7587 -109630.9681 300.2571 -161876.7268 -109269.5851 298.8757 25.8233 55.4978 759332.2795 -14.2383 -14.1343 PRESSURE: 4734200 28.4733 171.795 297.142 171.795 -11.9933 108.557 297.142 108.556 81.6647 GPRESSURE: 4734200 13.6961 185.316 323.67 77.1469 40.3651 125.545 238.591 115.177 123.691 PRESSAVG: 4734200 -3.73378 -12.6211 -26.1099 -12.6211 -3.5066 -17.3979 -26.11 -17.3978 6.84235 GPRESSAVG: 4734200 -6.25557 -12.4655 -28.4202 -12.3204 -1.70509 -16.2695 -25.5783 -16.1355 7.95991 TIMING: 4734200 CPU: 15015, 0.00311147/step Wall: 15015, 0.00311147/step, 0.22973 hours remaining, 240.867188 MB of memory in use. ENERGY: 4734200 3964.0798 20382.0250 14479.5100 235.5942 -203370.7563 2590.0991 0.0000 0.0000 52006.8293 -109712.6190 298.8840 -161719.4483 -109348.3146 298.5513 32.7149 59.2507 760899.1659 -0.1327 -0.0002 PRESSURE: 4734400 -391.368 -184.423 59.1637 -184.422 -124.072 -11.0117 59.1634 -11.0124 176.828 GPRESSURE: 4734400 -320.016 -175.332 36.9609 -89.9722 -102.671 79.0214 -56.605 -66.0293 173.097 PRESSAVG: 4734400 -46.701 -38.6183 -13.5528 -38.6182 41.3278 6.19795 -13.5527 6.19793 -0.823751 GPRESSAVG: 4734400 -45.3002 -37.5604 -12.483 -39.3085 41.0881 7.64716 -11.7166 4.36385 -1.26658 TIMING: 4734400 CPU: 15015.6, 0.00313243/step Wall: 15015.6, 0.00313244/step, 0.231104 hours remaining, 240.867188 MB of memory in use. ENERGY: 4734400 3956.5199 20435.5685 14477.4308 256.2134 -203369.5260 2398.9462 0.0000 0.0000 52102.0542 -109742.7930 299.4312 -161844.8472 -109380.3983 298.6457 -112.8707 -83.1967 759604.3568 -2.0657 -1.8262 PRESSURE: 4734600 -99.2206 143.186 -208.29 143.186 -123.127 32.2111 -208.29 32.2118 -68.6626 GPRESSURE: 4734600 -46.5466 90.4108 -40.503 121.761 -70.3822 104.312 -146.604 -40.5608 -64.2614 PRESSAVG: 4734600 -38.2579 -47.2286 -22.3649 -47.2286 57.7612 4.06106 -22.3649 4.06108 -6.87626 GPRESSAVG: 4734600 -38.3734 -46.3676 -21.4691 -47.7386 56.1823 1.19386 -25.2105 7.11969 -5.92171 TIMING: 4734600 CPU: 15016.3, 0.00315046/step Wall: 15016.3, 0.00315046/step, 0.232259 hours remaining, 240.867188 MB of memory in use. ENERGY: 4734600 3942.3889 20503.5503 14383.9404 255.9349 -203309.3688 2283.8877 0.0000 0.0000 52029.1797 -109910.4868 299.0124 -161939.6665 -109559.0142 298.9117 -97.0035 -60.3967 758809.1696 4.2090 3.9624 PRESSURE: 4734800 -186.782 -123.686 176.75 -123.685 400.251 217.142 176.75 217.142 -575.626 GPRESSURE: 4734800 -109.575 -96.8282 164 -136.091 479.139 189.577 125.151 112.084 -624.863 PRESSAVG: 4734800 -12.6249 -12.2231 -18.7868 -12.2231 8.07433 53.3688 -18.7867 53.3689 13.2543 GPRESSAVG: 4734800 -14.176 -15.4894 -18.8096 -12.5263 9.07626 55.5107 -16.0994 51.2587 13.4868 TIMING: 4734800 CPU: 15016.9, 0.00313031/step Wall: 15016.9, 0.00313031/step, 0.230599 hours remaining, 240.867188 MB of memory in use. ENERGY: 4734800 3976.1497 20349.8802 14508.4829 245.1985 -203350.3077 2382.5801 0.0000 0.0000 51853.2457 -110034.7707 298.0013 -161888.0164 -109672.6978 298.3332 -120.7190 -85.0999 758811.6905 2.9012 2.7957 PRESSURE: 4735000 -217.051 264.153 1.5259 264.153 -100.47 170.09 1.52597 170.089 -634.996 GPRESSURE: 4735000 -307.675 288.719 94.7391 154.413 -56.3259 136.58 21.4195 99.418 -502.326 PRESSAVG: 4735000 -39.9879 8.89464 2.67621 8.89457 26.1523 49.2079 2.6762 49.2079 10.6005 GPRESSAVG: 4735000 -39.0945 9.79896 3.7026 11.2145 26.7356 48.2532 1.50167 48.7182 9.46599 TIMING: 4735000 CPU: 15017.5, 0.00312894/step Wall: 15017.5, 0.00312894/step, 0.230325 hours remaining, 240.867188 MB of memory in use. ENERGY: 4735000 4003.0599 20597.8143 14514.0849 228.4777 -203555.6367 2342.8767 0.0000 0.0000 51763.0977 -110106.2255 297.4832 -161869.3232 -109749.3270 298.0625 -317.5056 -288.7756 759621.8190 -1.0783 -0.9643 PRESSURE: 4735200 -311.529 -0.560743 -34.9691 -0.560923 -192.805 85.9479 -34.9688 85.9473 -90.8652 GPRESSURE: 4735200 -232.881 -20.8483 -96.7899 -78.7566 -155.546 53.5547 4.14848 60.6078 -121.359 PRESSAVG: 4735200 35.2579 49.4865 -28.72 49.4865 -6.95847 56.3082 -28.72 56.3082 7.35266 GPRESSAVG: 4735200 34.7579 48.8295 -28.5998 47.925 -6.8195 58.2969 -29.5502 54.4432 7.57306 TIMING: 4735200 CPU: 15018.2, 0.00313265/step Wall: 15018.2, 0.00313265/step, 0.230424 hours remaining, 240.867188 MB of memory in use. ENERGY: 4735200 4033.9510 20505.7654 14459.5486 240.5505 -203299.1136 2313.5270 0.0000 0.0000 51684.0324 -110061.7387 297.0288 -161745.7712 -109701.4523 298.5495 -198.3999 -169.9284 760847.3609 11.8840 11.8372 PRESSURE: 4735400 -43.8226 -74.1755 -77.5049 -74.1751 -117.384 -226.619 -77.5038 -226.621 154.491 GPRESSURE: 4735400 -30.5614 -67.0748 -54.8201 108.363 -138.463 -178.402 30.8556 -136.93 254.291 PRESSAVG: 4735400 13.5405 24.7664 3.16463 24.7664 2.99973 34.4258 3.16462 34.4258 -22.435 GPRESSAVG: 4735400 12.7578 24.106 2.72083 25.6716 4.20712 34.1987 3.16709 35.8943 -23.3756 TIMING: 4735400 CPU: 15018.8, 0.00313782/step Wall: 15018.8, 0.00313782/step, 0.23063 hours remaining, 240.867188 MB of memory in use. ENERGY: 4735400 3960.8207 20422.5324 14486.2314 242.6490 -203960.2009 2633.5031 0.0000 0.0000 52081.1727 -110133.2915 299.3112 -162214.4642 -109771.7650 298.1135 -2.2385 28.4222 759513.9837 -1.9649 -2.1369 PRESSURE: 4735600 135.197 -50.563 -115.674 -50.563 -245.215 -18.6437 -115.675 -18.6434 -188.601 GPRESSURE: 4735600 107.249 -112.667 -36.7458 -78.3149 -183.15 9.49978 -104.171 18.0387 -130.523 PRESSAVG: 4735600 11.5239 -11.3512 -41.2516 -11.3512 -57.582 -38.6628 -41.2517 -38.6628 -15.7754 GPRESSAVG: 4735600 11.6677 -10.265 -42.7554 -9.4736 -59.3664 -40.1246 -39.7915 -38.2565 -13.4051 TIMING: 4735600 CPU: 15019.4, 0.00314312/step Wall: 15019.4, 0.00314312/step, 0.230844 hours remaining, 240.867188 MB of memory in use. ENERGY: 4735600 4035.4705 20494.2291 14371.8813 242.5959 -203559.9564 2337.7360 0.0000 0.0000 52020.9212 -110057.1224 298.9649 -162078.0436 -109697.5551 297.8995 -99.5398 -68.8080 759699.8854 -20.6112 -20.3680 PRESSURE: 4735800 172.959 85.4008 53.5469 85.4018 -17.0105 132.834 53.5477 132.833 -219.423 GPRESSURE: 4735800 234.961 212.446 69.6775 195.392 27.2748 103.026 -34.2323 92.8712 -239.003 PRESSAVG: 4735800 38.2227 10.3331 -4.77598 10.3331 -32.0887 6.10549 -4.776 6.10537 3.96356 GPRESSAVG: 4735800 39.3546 13.4137 -4.97404 8.88518 -32.5822 6.23628 -5.36183 6.86711 2.70399 TIMING: 4735800 CPU: 15020, 0.00313147/step Wall: 15020, 0.00313147/step, 0.229815 hours remaining, 240.867188 MB of memory in use. ENERGY: 4735800 3996.0763 20410.4817 14491.9060 246.5372 -203383.0954 2481.4583 0.0000 0.0000 51944.8405 -109811.7954 298.5277 -161756.6359 -109454.9588 298.3706 -21.1582 7.7441 761005.9152 3.3659 3.1588 PRESSURE: 4736000 -62.8322 165.71 386.252 165.711 -279.149 17.6656 386.252 17.6658 -224.204 GPRESSURE: 4736000 -56.1521 50.9244 448.954 137.866 -183.4 102.478 123.739 51.0569 -233.645 PRESSAVG: 4736000 57.0342 -3.11969 -1.30501 -3.11964 -65.5206 37.3205 -1.30506 37.3205 -4.19114 GPRESSAVG: 4736000 56.5206 -6.20915 -0.581103 -4.17239 -65.584 37.8774 -4.51356 35.9636 -4.45677 TIMING: 4736000 CPU: 15020.7, 0.00312933/step Wall: 15020.7, 0.00312933/step, 0.229484 hours remaining, 240.867188 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: 4736000 4002.2939 20300.0900 14516.9420 226.4903 -203292.0314 2564.5321 0.0000 0.0000 51901.8318 -109779.8512 298.2805 -161681.6830 -109411.9250 298.6861 -188.7283 -157.7323 762813.8514 -4.2259 -4.5067 PRESSURE: 4736200 78.043 -52.6248 75.8961 -52.6248 97.0747 151.056 75.8959 151.056 -105.789 GPRESSURE: 4736200 224.933 8.16616 47.2869 -21.9481 8.16714 170.093 5.50685 77.3711 -70.5628 PRESSAVG: 4736200 -8.86148 -68.7064 18.6439 -68.7064 45.523 26.9296 18.6439 26.9296 -10.5053 GPRESSAVG: 4736200 -7.63133 -68.3763 19.5864 -67.8864 45.5032 26.9955 21.7572 26.8566 -11.7695 TIMING: 4736200 CPU: 15021.3, 0.00313451/step Wall: 15021.3, 0.00313451/step, 0.22969 hours remaining, 240.867188 MB of memory in use. ENERGY: 4736200 4001.9864 20466.6541 14413.5729 255.9017 -203315.9698 2274.7678 0.0000 0.0000 51895.3295 -110007.7575 298.2432 -161903.0870 -109655.9812 298.4464 23.1097 54.1793 760063.2237 8.7187 8.7008 LDB: ============= START OF LOAD BALANCING ============== 15033.7 LDB: ============== END OF LOAD BALANCING =============== 15033.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15033.7 LDB: ============= START OF LOAD BALANCING ============== 15034.1 LDB: Largest compute 7069 load 0.034601 is 17.7% of average load 0.195603 LDB: Average compute 0.004361 is 2.2% of average load 0.195603 LDB: TIME 15034.1 LOAD: AVG 0.195603 MAX 0.215959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 15034.1 LOAD: AVG 0.195603 MAX 0.215959 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: TIME 15034.1 LOAD: AVG 0.195603 MAX 0.215959 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.379 MB LDB: ============== END OF LOAD BALANCING =============== 15034.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15034.1 PRESSURE: 4736400 -27.092 -88.8888 491.13 -88.8887 -46.3894 -44.1286 491.13 -44.1288 114.245 GPRESSURE: 4736400 -51.5316 9.0179 444.342 -65.7387 -3.881 -42.3393 478.314 30.92 151.542 PRESSAVG: 4736400 54.6662 -14.0701 62.8331 -14.0701 -43.0063 -22.519 62.833 -22.519 18.7629 GPRESSAVG: 4736400 53.3713 -12.9598 62.2483 -14.0971 -42.9246 -22.1919 62.71 -24.4296 19.6881 TIMING: 4736400 CPU: 15021.9, 0.00319184/step Wall: 15021.9, 0.00319184/step, 0.233714 hours remaining, 239.382812 MB of memory in use. ENERGY: 4736400 4007.1734 20452.9021 14458.3834 252.3057 -203680.4802 2658.9970 0.0000 0.0000 51798.8022 -110051.9164 297.6884 -161850.7186 -109691.8468 298.3683 13.5880 32.0432 760055.0477 10.1410 10.0450 PRESSURE: 4736600 223.007 99.7613 205.003 99.7616 48.1741 -11.2357 205.004 -11.2363 333.126 GPRESSURE: 4736600 159.092 -10.5625 220.536 39.3732 104.971 50.4672 195.997 -8.87965 411.94 PRESSAVG: 4736600 -15.4614 11.2975 63.9818 11.2975 47.0455 24.4899 63.9818 24.4899 11.0967 GPRESSAVG: 4736600 -16.1405 9.21722 64.901 11.7732 45.5611 24.5904 63.2877 27.1673 12.526 TIMING: 4736600 CPU: 15022.6, 0.00315126/step Wall: 15022.6, 0.00315126/step, 0.230567 hours remaining, 239.382812 MB of memory in use. ENERGY: 4736600 3926.1897 20474.2655 14478.4324 224.3595 -203650.5493 2622.6686 0.0000 0.0000 51852.2243 -110072.4094 297.9954 -161924.6337 -109724.8416 298.2376 201.4357 225.3342 760274.5231 14.2269 13.9822 PRESSURE: 4736800 196.416 -27.7327 -126.454 -27.7326 -216.005 -22.1218 -126.453 -22.1207 -371.344 GPRESSURE: 4736800 112.164 -67.6069 -147.557 -0.0981187 -53.6579 56.7218 -44.6522 -94.8606 -363.878 PRESSAVG: 4736800 -34.5539 -26.4922 49.1634 -26.4922 15.571 -16.2314 49.1634 -16.2314 -16.3018 GPRESSAVG: 4736800 -35.1745 -24.017 49.2407 -28.4267 18.16 -16.5608 49.8365 -17.3336 -18.0717 TIMING: 4736800 CPU: 15023.2, 0.00312799/step Wall: 15023.2, 0.00312799/step, 0.228691 hours remaining, 239.382812 MB of memory in use. ENERGY: 4736800 3994.1037 20660.4169 14463.2471 244.0511 -203851.6410 2802.0192 0.0000 0.0000 51871.2120 -109816.5909 298.1046 -161687.8030 -109462.3707 297.9433 -130.3111 -101.7906 761038.0700 -11.7616 -11.6954 PRESSURE: 4737000 15.9351 -174.324 60.4574 -174.324 221.768 -3.70778 60.4577 -3.70688 258.832 GPRESSURE: 4737000 11.709 -67.0067 -43.249 -22.4477 321.783 -31.88 8.28312 -1.91483 255.986 PRESSAVG: 4737000 -17.459 -19.9541 14.2469 -19.9541 71.5903 15.3872 14.247 15.3872 15.0869 GPRESSAVG: 4737000 -17.1212 -21.6933 13.5759 -19.1263 70.1751 15.0567 16.4348 16.2527 16.1964 TIMING: 4737000 CPU: 15023.8, 0.00312155/step Wall: 15023.8, 0.00312155/step, 0.228047 hours remaining, 239.382812 MB of memory in use. ENERGY: 4737000 3957.4941 20347.2505 14461.4170 256.7598 -203642.9416 2777.5226 0.0000 0.0000 52126.1853 -109716.3122 299.5699 -161842.4975 -109356.2131 298.7027 165.5118 196.4927 760944.5425 23.0727 23.0834 PRESSURE: 4737200 -203.103 -39.2229 -7.44853 -39.2233 20.2805 213.726 -7.44915 213.726 112.752 GPRESSURE: 4737200 -54.0374 -84.0497 -35.9791 10.4365 105.85 247.762 -38.8428 151.564 -20.9826 PRESSAVG: 4737200 -8.2671 -28.1701 44.5212 -28.17 28.0207 18.8338 44.5212 18.8339 10.7603 GPRESSAVG: 4737200 -7.33652 -27.8195 44.8344 -28.4017 26.7127 18.7655 41.2221 19.5551 10.8974 TIMING: 4737200 CPU: 15024.4, 0.0031319/step Wall: 15024.4, 0.0031319/step, 0.228629 hours remaining, 239.382812 MB of memory in use. ENERGY: 4737200 3981.5396 20532.9737 14456.6625 246.8399 -203887.7165 2783.4570 0.0000 0.0000 52146.9769 -109739.2671 299.6894 -161886.2439 -109385.6469 298.7799 -23.3569 10.2768 761706.2619 10.1713 10.0912 PRESSURE: 4737400 -118.5 -21.484 -118.107 -21.4831 -404.751 -120.068 -118.107 -120.068 -251.513 GPRESSURE: 4737400 -155.488 -96.9686 -54.568 -43.4046 -290.776 -163.887 -142.643 71.4085 -240.181 PRESSAVG: 4737400 -5.22664 -56.6088 0.669262 -56.6087 -2.80425 62.6844 0.669323 62.6845 11.3766 GPRESSAVG: 4737400 -5.3836 -55.8667 -0.502004 -55.9622 -2.08127 62.3045 2.65481 61.1047 10.8595 TIMING: 4737400 CPU: 15025.1, 0.00313134/step Wall: 15025.1, 0.00313134/step, 0.228414 hours remaining, 239.382812 MB of memory in use. ENERGY: 4737400 4018.7278 20540.8103 14417.7354 242.3024 -203431.1248 2435.4812 0.0000 0.0000 52122.4591 -109653.6087 299.5485 -161776.0677 -109287.6697 298.6564 -258.2546 -228.8151 762852.8680 1.1152 1.1315 PRESSURE: 4737600 183.566 -137.864 -79.313 -137.864 255.434 -83.89 -79.3131 -83.8888 -83.8792 GPRESSURE: 4737600 145.536 -199.108 -51.4912 -115.067 278.763 -60.2853 -22.3522 1.61636 -3.87523 PRESSAVG: 4737600 -7.97298 -28.7213 26.4205 -28.7213 2.68732 -3.5799 26.4205 -3.57979 -16.2352 GPRESSAVG: 4737600 -8.92647 -30.7104 27.4827 -28.4333 3.28618 -2.3089 24.2174 -2.59499 -16.3468 TIMING: 4737600 CPU: 15025.7, 0.00313664/step Wall: 15025.7, 0.00313664/step, 0.228627 hours remaining, 239.382812 MB of memory in use. ENERGY: 4737600 3891.1753 20501.5676 14489.6200 244.7222 -203851.5971 3105.2447 0.0000 0.0000 51923.6763 -109695.5911 298.4061 -161619.2674 -109336.7827 298.5681 118.3735 140.1412 762541.6890 -7.1736 -7.3290 PRESSURE: 4737800 -60.2395 -21.1627 -119.436 -21.1621 -64.5645 40.0636 -119.437 40.0634 -124.614 GPRESSURE: 4737800 32.4095 -24.6509 -108.767 40.8461 -97.7777 48.0649 -72.8455 10.7901 -82.8803 PRESSAVG: 4737800 18.845 -79.8704 47.4913 -79.8704 8.55266 -19.2153 47.4914 -19.2153 10.6024 GPRESSAVG: 4737800 18.7891 -78.363 46.5393 -80.036 8.36467 -20.1011 49.8991 -19.2713 10.4833 TIMING: 4737800 CPU: 15026.3, 0.00312537/step Wall: 15026.3, 0.00312537/step, 0.227631 hours remaining, 239.382812 MB of memory in use. ENERGY: 4737800 3942.1385 20503.0551 14509.1554 235.9473 -203146.2525 2514.6449 0.0000 0.0000 51939.6917 -109501.6196 298.4981 -161441.3113 -109141.8720 298.4553 -83.1392 -49.4162 763352.0223 12.6667 12.5457 PRESSURE: 4738000 191.4 238.294 110.417 238.296 -213.764 83.4736 110.418 83.4739 -67.1972 GPRESSURE: 4738000 164.675 195.712 120.463 147.605 -75.6692 171.541 151.492 92.5065 -64.385 PRESSAVG: 4738000 21.3327 -53.4972 19.6766 -53.4971 2.78693 -20.8076 19.6765 -20.8076 5.84669 GPRESSAVG: 4738000 20.9899 -55.7636 21.4532 -53.1515 2.90835 -21.6425 19.1462 -21.9146 6.67966 TIMING: 4738000 CPU: 15026.9, 0.00312694/step Wall: 15026.9, 0.00312694/step, 0.227572 hours remaining, 239.382812 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: 4738000 3922.9233 20457.5834 14484.9652 263.8604 -203454.8833 2672.2387 0.0000 0.0000 51978.4762 -109674.8361 298.7210 -161653.3123 -109301.2113 299.2267 -29.8537 8.2069 761474.0525 9.9888 10.1926 PRESSURE: 4738200 -159.182 -52.8967 315.11 -52.8973 55.8925 197.655 315.11 197.655 -208.059 GPRESSURE: 4738200 -82.6261 28.2887 373.947 -24.9644 30.4424 177.357 172.993 89.1508 -157.423 PRESSAVG: 4738200 35.9471 -31.6392 39.6855 -31.6392 22.8839 36.7082 39.6856 36.7082 3.66269 GPRESSAVG: 4738200 35.9249 -30.287 37.5763 -33.6167 22.3048 36.8617 39.2585 37.666 4.50752 TIMING: 4738200 CPU: 15027.6, 0.00312765/step Wall: 15027.6, 0.00312765/step, 0.227449 hours remaining, 239.382812 MB of memory in use. ENERGY: 4738200 3981.8554 20483.9725 14438.0338 222.6790 -203782.3295 2732.4045 0.0000 0.0000 52152.1681 -109771.2161 299.7192 -161923.3842 -109403.4413 298.9099 -103.7828 -69.8690 760325.3734 20.8312 20.9124 PRESSURE: 4738400 -93.4578 65.3847 -13.3753 65.3851 -529.324 -190.294 -13.3759 -190.294 -85.1427 GPRESSURE: 4738400 -85.1945 -44.1407 41.1901 85.0257 -462.71 -266.227 55.2175 75.0352 -86.2191 PRESSAVG: 4738400 34.0266 -42.0373 35.3741 -42.0372 -38.4965 17.8154 35.3742 17.8155 -25.5186 GPRESSAVG: 4738400 34.0742 -42.5563 35.3058 -40.3013 -37.4945 18.6981 36.0568 18.9085 -26.628 TIMING: 4738400 CPU: 15028.2, 0.00311889/step Wall: 15028.2, 0.00311889/step, 0.22664 hours remaining, 239.382812 MB of memory in use. ENERGY: 4738400 3994.3035 20448.1976 14447.4046 252.8180 -203297.9563 2421.6684 0.0000 0.0000 52184.2465 -109549.3178 299.9036 -161733.5643 -109199.4106 298.4923 -235.9749 -211.3747 760633.9773 -9.9961 -10.0161 PRESSURE: 4738600 -50.7351 7.3338 -175.257 7.33358 -36.8916 -107.054 -175.257 -107.054 -136.41 GPRESSURE: 4738600 78.3644 9.23276 -201.291 5.6586 -35.1686 -44.0835 -318.023 -98.3661 -196.74 PRESSAVG: 4738600 -21.3197 -88.7861 64.4212 -88.7861 10.3499 -18.9815 64.4212 -18.9815 18.5061 GPRESSAVG: 4738600 -20.7159 -87.088 63.8302 -89.4142 9.41832 -19.4405 63.3822 -19.922 18.2553 TIMING: 4738600 CPU: 15028.8, 0.00312063/step Wall: 15028.8, 0.00312063/step, 0.226592 hours remaining, 239.382812 MB of memory in use. ENERGY: 4738600 3955.6250 20507.1469 14504.3383 242.3321 -203575.2343 2542.4392 0.0000 0.0000 52019.7101 -109803.6428 298.9580 -161823.3529 -109435.6462 299.2251 -74.6789 -51.1815 760719.7381 2.5121 2.3192 PRESSURE: 4738800 176.117 -147.445 -122.762 -147.445 -28.9237 -153.461 -122.762 -153.462 175.462 GPRESSURE: 4738800 238.411 -157.696 -101.726 -287.979 -11.4419 -266.436 -38.5868 -66.5047 175.269 PRESSAVG: 4738800 -6.17226 -82.6751 -0.116995 -82.6751 12.7655 -55.6061 -0.116956 -55.6061 -8.65162 GPRESSAVG: 4738800 -6.61893 -81.396 1.36472 -85.8651 12.8659 -55.3151 2.60252 -56.9163 -7.69139 TIMING: 4738800 CPU: 15029.4, 0.00312288/step Wall: 15029.4, 0.00312288/step, 0.226582 hours remaining, 239.382812 MB of memory in use. ENERGY: 4738800 3973.4390 20628.5326 14465.8869 243.7441 -203566.6339 2612.8861 0.0000 0.0000 51943.2835 -109698.8617 298.5188 -161642.1453 -109349.0047 298.7175 107.5517 134.0793 760758.5480 -0.6861 -0.4815 PRESSURE: 4739000 -34.2208 -4.22743 38.258 -4.2269 -391.236 90.0089 38.2567 90.0096 -54.5467 GPRESSURE: 4739000 -78.4103 85.2375 77.7047 -42.5148 -270.318 141.61 -53.2372 163.288 -28.9058 PRESSAVG: 4739000 48.1759 -41.4909 -17.1312 -41.4909 -72.614 -22.0872 -17.1312 -22.0872 -6.9169 GPRESSAVG: 4739000 48.5992 -44.7642 -16.9769 -37.8083 -71.6242 -22.2295 -18.8065 -19.7672 -8.08434 TIMING: 4739000 CPU: 15030.1, 0.00312212/step Wall: 15030.1, 0.00312212/step, 0.226354 hours remaining, 239.382812 MB of memory in use. ENERGY: 4739000 4017.3422 20540.6385 14467.3557 259.8247 -203473.9235 2428.6866 0.0000 0.0000 52173.6604 -109586.4153 299.8427 -161760.0758 -109219.3253 298.8969 -160.0011 -125.8781 760271.9340 -10.4517 -10.3698 PRESSURE: 4739200 98.4593 -214.555 -159.948 -214.554 156.589 47.8807 -159.948 47.8806 86.4874 GPRESSURE: 4739200 77.9272 -70.9872 -67.0477 -229.697 235.911 7.12026 -210.557 6.77755 125.977 PRESSAVG: 4739200 41.5555 -32.1447 0.912798 -32.1447 4.04774 -6.3383 0.912758 -6.33837 23.538 GPRESSAVG: 4739200 41.2271 -30.8615 0.369905 -32.7523 4.2085 -6.35265 1.64586 -8.77588 23.5779 TIMING: 4739200 CPU: 15030.7, 0.0031224/step Wall: 15030.7, 0.0031224/step, 0.2262 hours remaining, 239.382812 MB of memory in use. ENERGY: 4739200 3971.2392 20650.0792 14384.8455 256.0585 -203462.7231 2465.1390 0.0000 0.0000 52019.6597 -109715.7020 298.9577 -161735.3618 -109358.9996 299.0268 113.8452 146.6050 760137.8758 23.0471 23.0045 PRESSURE: 4739400 -5.50846 81.0861 16.2629 81.0864 -141.585 42.8737 16.264 42.8736 82.562 GPRESSURE: 4739400 3.78024 80.8856 39.6065 90.0392 -97.2746 -2.47292 102.474 80.0535 105.499 PRESSAVG: 4739400 6.6091 5.46716 -38.1087 5.46713 0.766983 25.2707 -38.1087 25.2708 1.26272 GPRESSAVG: 4739400 5.24507 4.43717 -38.9864 5.64168 1.19209 24.7674 -36.9651 26.2348 1.80256 TIMING: 4739400 CPU: 15031.3, 0.00313701/step Wall: 15031.3, 0.00313701/step, 0.227085 hours remaining, 239.382812 MB of memory in use. ENERGY: 4739400 3954.5965 20631.1953 14423.5611 251.8222 -203111.8105 2181.7781 0.0000 0.0000 51878.0431 -109790.8142 298.1438 -161668.8573 -109431.8265 298.7768 -21.5104 4.0015 758857.0687 2.8796 2.7466 PRESSURE: 4739600 -198.275 -60.5818 214.211 -60.5825 -130.577 26.3096 214.212 26.3099 259.787 GPRESSURE: 4739600 -211.648 48.4532 196.051 -96.3684 -84.8284 10.4296 208.363 13.3012 293.915 PRESSAVG: 4739600 4.22537 4.73238 30.3455 4.73236 8.44778 -5.48648 30.3455 -5.48651 -18.0024 GPRESSAVG: 4739600 4.37803 7.31257 33.1889 4.44649 6.81223 -6.73295 29.151 -5.0325 -17.0431 TIMING: 4739600 CPU: 15031.9, 0.00313487/step Wall: 15031.9, 0.00313487/step, 0.226756 hours remaining, 239.382812 MB of memory in use. ENERGY: 4739600 3963.1532 20509.9276 14409.7644 265.6760 -203268.3505 2468.6391 0.0000 0.0000 52021.2162 -109629.9740 298.9666 -161651.1902 -109271.2043 298.5787 -23.0218 -0.8539 761478.8559 -1.7764 -1.9509 PRESSURE: 4739800 -93.2309 -31.966 222.77 -31.9662 129.503 76.2868 222.771 76.2867 7.43179 GPRESSURE: 4739800 -77.3835 -63.3268 195.822 45.7217 182.097 111.333 158.894 65.2522 -1.91342 PRESSAVG: 4739800 -20.4215 -10.0471 71.6656 -10.047 4.13007 27.3936 71.6656 27.3936 4.29806 GPRESSAVG: 4739800 -18.6977 -10.4942 69.1808 -11.0886 3.87363 28.624 71.6409 28.1217 2.70035 TIMING: 4739800 CPU: 15032.6, 0.00313694/step Wall: 15032.6, 0.00313694/step, 0.226731 hours remaining, 239.382812 MB of memory in use. ENERGY: 4739800 4031.9991 20548.8511 14510.6453 276.6784 -202872.2923 2105.2430 0.0000 0.0000 51736.9423 -109661.9331 297.3329 -161398.8754 -109291.4718 298.5737 14.5681 34.2666 761500.9137 -3.9978 -4.0412 PRESSURE: 4740000 137.575 103.759 -68.7441 103.759 -161.372 225.949 -68.7428 225.949 180.269 GPRESSURE: 4740000 83.2963 159.606 -50.7262 -5.70068 -13.6425 258.936 -79.1513 99.4496 167.664 PRESSAVG: 4740000 -24.4879 -16.5294 18.7993 -16.5295 3.20943 22.6844 18.7993 22.6844 16.5077 GPRESSAVG: 4740000 -24.5841 -16.554 19.5113 -15.1423 1.88398 20.4381 18.6547 22.3573 17.5854 TIMING: 4740000 CPU: 15033.2, 0.00312663/step Wall: 15033.2, 0.00312663/step, 0.225812 hours remaining, 239.382812 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: 4740000 4034.9921 20550.4111 14460.9837 270.7327 -203134.9318 2447.0007 0.0000 0.0000 51806.3157 -109564.4958 297.7316 -161370.8115 -109207.9728 299.1230 52.1574 79.1059 761896.6724 -1.5903 -1.7049 PRESSURE: 4740200 -107.488 -230.889 -109.419 -230.888 -189.824 -6.36491 -109.419 -6.36529 325.941 GPRESSURE: 4740200 -75.0719 -231.041 -87.5088 -133.413 -207.874 -28.4426 -149.731 -5.68708 384.623 PRESSAVG: 4740200 -21.8818 -12.6021 46.6895 -12.602 -16.2276 28.4088 46.6895 28.4088 -26.6331 GPRESSAVG: 4740200 -23.0588 -12.2124 47.2313 -13.231 -14.5795 30.6833 47.6978 28.0622 -27.006 TIMING: 4740200 CPU: 15033.8, 0.00312232/step Wall: 15033.8, 0.00312232/step, 0.225327 hours remaining, 239.382812 MB of memory in use. ENERGY: 4740200 3976.5878 20419.7707 14468.4379 253.5197 -203529.5085 2533.8581 0.0000 0.0000 52131.3560 -109745.9782 299.5996 -161877.3342 -109374.9635 298.4503 9.5429 33.8925 761778.3679 -21.5808 -21.5481 LDB: ============= START OF LOAD BALANCING ============== 15046.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15046.3 LDB: =============== DONE WITH MIGRATION ================ 15046.3 LDB: ============= START OF LOAD BALANCING ============== 15046.6 LDB: Largest compute 7056 load 0.035487 is 18.1% of average load 0.195584 LDB: Average compute 0.004374 is 2.2% of average load 0.195584 LDB: TIME 15046.6 LOAD: AVG 0.195584 MAX 0.216278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.465 MB LDB: TIME 15046.6 LOAD: AVG 0.195584 MAX 0.216278 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.504 MB LDB: TIME 15046.6 LOAD: AVG 0.195584 MAX 0.216278 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.504 MB LDB: ============== END OF LOAD BALANCING =============== 15046.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15046.6 PRESSURE: 4740400 -39.646 -123.65 144.612 -123.65 -79.9778 -188.606 144.612 -188.606 347.06 GPRESSURE: 4740400 85.8646 -204.338 92.7784 -70.5425 -98.8186 -229.206 153.168 -276.367 314.435 PRESSAVG: 4740400 24.3695 -59.0975 -0.367111 -59.0975 -37.2823 -6.19691 -0.367133 -6.19694 2.39929 GPRESSAVG: 4740400 25.169 -60.5821 -1.1095 -57.3838 -37.1711 -8.30751 -0.45108 -4.36572 2.05845 TIMING: 4740400 CPU: 15034.5, 0.00318198/step Wall: 15034.5, 0.00318198/step, 0.229456 hours remaining, 241.890625 MB of memory in use. ENERGY: 4740400 3976.4268 20639.9664 14435.4424 232.1188 -203179.2603 2253.4392 0.0000 0.0000 52004.1094 -109637.7573 298.8683 -161641.8667 -109272.2710 298.7375 75.8120 100.4937 762444.2127 -3.5045 -3.3146 PRESSURE: 4740600 -37.1717 -182.398 -73.2022 -182.398 -158.796 122.573 -73.2023 122.574 331.434 GPRESSURE: 4740600 -77.4357 -151.831 15.9309 -55.8525 -17.3679 93.5971 -86.1898 20.7759 320.76 PRESSAVG: 4740600 9.88964 -2.30914 37.813 -2.30912 -20.0677 26.1195 37.813 26.1195 6.58859 GPRESSAVG: 4740600 10.5134 -1.08798 38.7306 -3.88491 -21.4672 28.0183 34.7004 24.6994 7.13571 TIMING: 4740600 CPU: 15035.1, 0.00312175/step Wall: 15035.1, 0.00312175/step, 0.224939 hours remaining, 242.089844 MB of memory in use. ENERGY: 4740600 3982.2083 20575.8529 14383.9632 247.1046 -203327.3938 2479.1467 0.0000 0.0000 51959.6162 -109699.5019 298.6126 -161659.1181 -109337.6211 298.7758 45.1555 75.3187 761523.5391 -1.1965 -1.2727 PRESSURE: 4740800 344.189 -144.413 54.5654 -144.413 -39.2931 -69.9605 54.5652 -69.9605 -30.1704 GPRESSURE: 4740800 344.917 -101.498 64.457 -112.443 118.693 -45.6972 20.608 80.4447 -99.2897 PRESSAVG: 4740800 24.7844 16.5745 -0.931046 16.5745 -62.0486 59.3519 -0.931002 59.352 -24.9761 GPRESSAVG: 4740800 24.5385 15.8642 -0.986009 16.6204 -61.7331 58.9802 1.61989 60.9623 -24.8107 TIMING: 4740800 CPU: 15035.7, 0.00312199/step Wall: 15035.7, 0.00312199/step, 0.224783 hours remaining, 242.089844 MB of memory in use. ENERGY: 4740800 3999.5739 20441.1371 14397.5075 235.6762 -203558.4174 2669.6845 0.0000 0.0000 52034.1901 -109780.6480 299.0412 -161814.8382 -109417.9134 298.3518 91.5752 121.4401 759907.0791 -20.7468 -20.6684 PRESSURE: 4741000 -128.319 -200.699 -73.5369 -200.699 -165.656 -0.576325 -73.5362 -0.577103 -128.147 GPRESSURE: 4741000 -180.958 -220.818 -38.4554 -132.301 -80.8029 -81.062 -53.4793 -12.3297 -72.0616 PRESSAVG: 4741000 24.8643 2.06512 -20.8092 2.06512 -13.6859 9.29336 -20.8092 9.29335 -2.35128 GPRESSAVG: 4741000 23.4991 1.88151 -20.2633 1.05306 -12.6169 8.63431 -21.4108 8.66436 -2.40179 TIMING: 4741000 CPU: 15036.3, 0.00310903/step Wall: 15036.3, 0.00310903/step, 0.223677 hours remaining, 242.089844 MB of memory in use. ENERGY: 4741000 3961.5973 20534.2144 14403.1769 245.7521 -203462.9426 2445.1374 0.0000 0.0000 52101.0938 -109771.9708 299.4257 -161873.0646 -109415.7275 298.6544 -140.7071 -111.2740 760864.6517 2.9424 2.8268 PRESSURE: 4741200 -101.631 -17.2411 144.451 -17.2419 -86.8043 -70.6871 144.451 -70.6857 482.053 GPRESSURE: 4741200 -142.055 3.91778 86.7911 11.9842 -15.7465 -29.7323 89.6534 49.1976 549.244 PRESSAVG: 4741200 -11.2709 0.454828 -33.4147 0.454795 5.86893 4.84013 -33.4147 4.84011 19.7008 GPRESSAVG: 4741200 -9.88201 1.13089 -34.4681 0.808868 5.04604 6.80367 -33.7509 4.62011 18.7184 TIMING: 4741200 CPU: 15036.9, 0.0031032/step Wall: 15036.9, 0.0031032/step, 0.223086 hours remaining, 242.089844 MB of memory in use. ENERGY: 4741200 3947.6707 20608.1670 14421.4038 245.6409 -203260.4739 2605.4853 0.0000 0.0000 51782.8290 -109649.2774 297.5966 -161432.1064 -109292.8438 298.0771 97.8723 130.4810 760924.1631 4.7663 4.6275 PRESSURE: 4741400 64.2645 -234.048 -190.769 -234.048 82.4002 -25.4488 -190.769 -25.4491 -354.293 GPRESSURE: 4741400 120.147 -51.8926 -156.977 -211.778 110.417 -146.516 -110.627 13.5197 -350.013 PRESSAVG: 4741400 13.9798 -55.2832 -47.3015 -55.2832 -31.4793 9.37717 -47.3015 9.37723 -2.35912 GPRESSAVG: 4741400 13.2836 -55.3907 -46.1144 -54.3329 -31.5542 8.41577 -48.5314 8.03072 -1.87655 TIMING: 4741400 CPU: 15037.6, 0.00312031/step Wall: 15037.6, 0.00312031/step, 0.224142 hours remaining, 242.089844 MB of memory in use. ENERGY: 4741400 3998.3856 20573.8832 14490.3301 245.1172 -203677.1079 2637.3315 0.0000 0.0000 52289.6917 -109442.3685 300.5096 -161732.0602 -109070.4757 299.0485 -69.2093 -39.8160 761266.2104 -6.6195 -6.7157 PRESSURE: 4741600 91.6701 -119.957 -295.877 -119.957 -94.8373 89.3314 -295.876 89.3311 71.3787 GPRESSURE: 4741600 74.9604 -179.794 -271.139 -78.7975 -20.5427 36.327 -221.664 111.476 94.774 PRESSAVG: 4741600 2.83429 -41.5978 -70.7139 -41.5978 21.0987 -38.2412 -70.7138 -38.2412 19.5635 GPRESSAVG: 4741600 4.0923 -42.383 -71.1775 -40.1094 20.5333 -37.447 -67.8447 -37.1434 18.9766 TIMING: 4741600 CPU: 15038.2, 0.00312711/step Wall: 15038.2, 0.00312711/step, 0.224457 hours remaining, 242.089844 MB of memory in use. ENERGY: 4741600 4066.8229 20543.2367 14467.4184 234.8678 -203731.4107 2714.3263 0.0000 0.0000 51965.3315 -109739.4071 298.6455 -161704.7387 -109384.5642 299.2278 22.7372 49.7306 761207.6429 14.4988 14.5341 PRESSURE: 4741800 77.6443 244.181 66.7395 244.181 -51.539 -192.224 66.7391 -192.225 0.910722 GPRESSURE: 4741800 17.0184 260.19 177.062 205.503 -9.83061 -48.8843 -80.9438 -231.592 99.9747 PRESSAVG: 4741800 -0.417131 -34.4858 -38.2532 -34.4858 5.35859 -31.1915 -38.2532 -31.1914 -8.52481 GPRESSAVG: 4741800 -1.71534 -35.549 -36.5364 -35.553 6.86656 -32.1082 -40.4201 -31.1247 -8.93153 TIMING: 4741800 CPU: 15038.8, 0.00309482/step Wall: 15038.8, 0.00309482/step, 0.221967 hours remaining, 242.089844 MB of memory in use. ENERGY: 4741800 3973.9380 20435.9316 14402.4017 241.4888 -203344.4620 2448.6728 0.0000 0.0000 51714.7866 -110127.2425 297.2056 -161842.0290 -109760.4298 298.5451 9.0053 35.7208 761145.2460 -1.1945 -1.2601 PRESSURE: 4742000 -234.455 121.343 134.23 121.343 -507.799 -50.4249 134.23 -50.4249 -109.751 GPRESSURE: 4742000 -203.962 118.009 71.2036 63.4701 -467.882 3.6282 149.105 28.9588 -85.3649 PRESSAVG: 4742000 8.3693 -16.907 -44.4199 -16.9069 0.297646 -7.50594 -44.4199 -7.50588 -2.36423 GPRESSAVG: 4742000 8.38876 -15.8055 -45.9982 -18.3137 -0.677277 -7.11028 -44.2734 -6.74334 -1.61084 TIMING: 4742000 CPU: 15039.4, 0.00310597/step Wall: 15039.4, 0.00310597/step, 0.222594 hours remaining, 242.089844 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: 4742000 3930.6650 20601.9417 14443.6777 235.2198 -203207.4233 2007.2366 0.0000 0.0000 51896.6201 -110092.0623 298.2506 -161988.6824 -109733.3296 298.2453 -284.0014 -252.4030 759587.9886 2.1009 2.0335 PRESSURE: 4742200 -321.281 46.1966 229.969 46.1969 -114.386 130.828 229.969 130.828 -245.128 GPRESSURE: 4742200 -285.212 130.38 213.685 -11.9262 -143.417 176.067 185.209 105.129 -167.22 PRESSAVG: 4742200 3.45976 -35.2916 -18.7989 -35.2916 -55.9415 15.6052 -18.799 15.6052 6.81399 GPRESSAVG: 4742200 2.89828 -33.0879 -17.9545 -34.7525 -55.6635 16.3154 -17.1975 15.6895 7.46466 TIMING: 4742200 CPU: 15040.1, 0.00310962/step Wall: 15040.1, 0.00310962/step, 0.222683 hours remaining, 242.089844 MB of memory in use. ENERGY: 4742200 3916.7039 20473.3591 14424.8108 248.4785 -203688.4976 2520.9540 0.0000 0.0000 52028.6917 -110075.4996 299.0096 -162104.1913 -109727.5259 298.2517 -226.9317 -198.6164 759936.6254 -15.2226 -15.1002 PRESSURE: 4742400 -98.2159 51.124 10.5167 51.1227 -36.1905 140.93 10.5166 140.93 183.674 GPRESSURE: 4742400 -13.5046 -74.0084 31.4842 11.5291 -17.1184 105.247 12.4075 85.8312 167.231 PRESSAVG: 4742400 -15.3157 -60.5354 -27.005 -60.5353 58.0359 -31.8782 -27.005 -31.8783 3.17869 GPRESSAVG: 4742400 -13.4987 -64.1817 -28.0233 -58.2377 57.8226 -32.1778 -28.8944 -32.1484 1.91463 TIMING: 4742400 CPU: 15040.7, 0.00310201/step Wall: 15040.7, 0.00310201/step, 0.221966 hours remaining, 242.089844 MB of memory in use. ENERGY: 4742400 3940.4676 20433.9987 14467.1074 240.0728 -203899.5905 2801.3039 0.0000 0.0000 51852.1703 -110164.4698 297.9951 -162016.6401 -109803.8518 298.3145 16.4224 45.5361 759890.7245 15.2996 15.4129 PRESSURE: 4742600 147.4 -292.341 200.997 -292.341 275.641 -67.4907 200.997 -67.4888 88.7608 GPRESSURE: 4742600 197.81 -176.018 191.336 -218.572 303.319 -118.5 104.608 -137.844 92.7587 PRESSAVG: 4742600 34.4392 -104.902 -2.55422 -104.902 -36.8024 1.61843 -2.55431 1.61849 5.08877 GPRESSAVG: 4742600 33.1335 -103.742 -2.13075 -107.059 -35.8036 0.526988 -0.65676 1.92154 5.34091 TIMING: 4742600 CPU: 15041.3, 0.00310674/step Wall: 15041.3, 0.00310674/step, 0.222132 hours remaining, 242.089844 MB of memory in use. ENERGY: 4742600 3998.1292 20341.2146 14463.3767 254.7561 -203794.4615 2811.4258 0.0000 0.0000 51860.7206 -110064.8385 298.0443 -161925.5590 -109705.0786 298.0466 170.6006 197.9627 761046.3037 0.9085 0.8903 PRESSURE: 4742800 179.64 -8.14064 3.2604 -8.1405 -319.327 106.391 3.26025 106.39 -299.993 GPRESSURE: 4742800 174.439 -14.9586 -41.5106 -18.6633 -243.285 92.6842 8.00439 77.0566 -293.022 PRESSAVG: 4742800 60.1919 -42.7892 9.80806 -42.7892 -17.7062 34.0376 9.80806 34.0376 -2.59129 GPRESSAVG: 4742800 59.2808 -43.0746 8.4559 -44.3384 -18.0367 33.9347 10.0345 32.4297 -1.80967 TIMING: 4742800 CPU: 15041.9, 0.00313403/step Wall: 15041.9, 0.00313403/step, 0.223909 hours remaining, 242.089844 MB of memory in use. ENERGY: 4742800 3963.2999 20463.0022 14452.3280 253.1501 -203087.5077 2213.8891 0.0000 0.0000 51761.1462 -109980.6924 297.4720 -161741.8385 -109612.7132 298.1815 -146.5600 -120.6224 762488.4904 13.2981 13.1448 PRESSURE: 4743000 107.006 -54.1015 113.813 -54.101 -65.8236 34.9423 113.813 34.9411 -230.337 GPRESSURE: 4743000 55.2291 -121.654 156.865 -140.736 -28.8606 10.2447 81.8688 77.8523 -155.408 PRESSAVG: 4743000 56.8564 -38.4629 25.3156 -38.4629 -25.6081 16.9083 25.3156 16.9082 17.5692 GPRESSAVG: 4743000 56.9015 -37.8976 26.6963 -36.5325 -25.2469 17.0489 22.7315 17.6292 17.2734 TIMING: 4743000 CPU: 15042.6, 0.00311042/step Wall: 15042.6, 0.00311042/step, 0.22205 hours remaining, 242.089844 MB of memory in use. ENERGY: 4743000 3924.7288 20536.2448 14479.7947 258.6777 -203956.8055 2843.7524 0.0000 0.0000 51833.6410 -110079.9661 297.8886 -161913.6071 -109730.3887 297.5221 -63.0515 -43.0132 762870.8881 16.2725 16.3093 PRESSURE: 4743200 119.015 22.6349 44.7096 22.635 -213.68 40.3266 44.7104 40.3268 -268.748 GPRESSURE: 4743200 85.3642 -52.3193 1.40498 68.6612 -75.3888 64.219 134.202 118.637 -290.09 PRESSAVG: 4743200 1.48237 -50.2631 12.551 -50.263 -44.5726 74.0008 12.551 74.0007 7.18073 GPRESSAVG: 4743200 0.725837 -52.7628 11.8918 -48.2695 -44.6067 74.89 13.9965 76.5013 7.80384 TIMING: 4743200 CPU: 15043.2, 0.00312799/step Wall: 15043.2, 0.00312799/step, 0.22313 hours remaining, 242.089844 MB of memory in use. ENERGY: 4743200 3945.8754 20348.7826 14481.5715 253.4832 -203522.7123 2432.1020 0.0000 0.0000 51949.5315 -110111.3662 298.5547 -162060.8977 -109745.4342 298.0470 -121.1374 -93.3715 761378.2660 -11.9698 -12.0257 PRESSURE: 4743400 -232.013 175.872 9.84645 175.873 199.79 145.432 9.84679 145.431 -235.301 GPRESSURE: 4743400 -116.735 73.3761 30.4304 117.5 152.479 152.618 -18.8111 180.183 -197.037 PRESSAVG: 4743400 -11.3908 -24.7905 -31.3582 -24.7906 23.1408 9.83752 -31.3582 9.83754 3.2218 GPRESSAVG: 4743400 -10.6917 -23.1629 -29.8477 -27.2003 22.1455 10.3114 -29.5432 7.67464 3.36549 TIMING: 4743400 CPU: 15043.8, 0.00310904/step Wall: 15043.8, 0.00310904/step, 0.221605 hours remaining, 242.089844 MB of memory in use. ENERGY: 4743400 3927.7115 20382.5875 14455.4805 231.8641 -204122.3413 2914.5266 0.0000 0.0000 51995.2917 -110214.8794 298.8177 -162210.1711 -109852.4464 298.0558 -89.1746 -53.7641 761819.3169 4.9906 4.9398 PRESSURE: 4743600 -143.102 -113.277 52.4608 -113.277 -281.077 194.177 52.4612 194.177 322.4 GPRESSURE: 4743600 -84.0211 -214.561 39.9397 -105.835 -297.503 236.348 22.1666 160.756 377.568 PRESSAVG: 4743600 15.4582 -10.3137 28.8873 -10.3137 -11.3649 26.7672 28.8873 26.7671 -16.0595 GPRESSAVG: 4743600 15.6647 -9.25103 28.1977 -9.57996 -11.6975 24.5852 28.1253 25.7456 -15.5133 TIMING: 4743600 CPU: 15044.4, 0.00311412/step Wall: 15044.4, 0.00311412/step, 0.221795 hours remaining, 242.089844 MB of memory in use. ENERGY: 4743600 3940.6287 20397.2619 14458.3608 271.1727 -204128.0473 2957.1629 0.0000 0.0000 51708.0982 -110395.3621 297.1672 -162103.4603 -110033.7378 297.7476 -33.9263 -1.3189 762207.1672 -3.9887 -3.8487 PRESSURE: 4743800 -34.3862 -123.68 -73.1748 -123.679 104.559 -70.8591 -73.1753 -70.858 -135.645 GPRESSURE: 4743800 33.7848 -170.12 -98.7358 -95.5086 138.653 -131.14 -188.011 44.9501 -169.937 PRESSAVG: 4743800 23.8628 -39.1731 48.5589 -39.1731 -17.5816 -33.8681 48.5588 -33.8681 -25.3182 GPRESSAVG: 4743800 23.9263 -39.4955 46.8568 -39.6199 -16.0078 -32.2687 48.1608 -31.4753 -27.0683 TIMING: 4743800 CPU: 15045, 0.00311107/step Wall: 15045, 0.00311107/step, 0.221405 hours remaining, 242.089844 MB of memory in use. ENERGY: 4743800 4059.3957 20645.1225 14515.1636 250.5899 -204049.4887 2855.5701 0.0000 0.0000 51702.7500 -110020.8969 297.1364 -161723.6469 -109674.7259 298.1489 -21.8240 0.8337 759989.8930 -6.3457 -6.3833 PRESSURE: 4744000 397.637 -168.906 330.07 -168.906 -103.121 53.6706 330.07 53.6699 -107.383 GPRESSURE: 4744000 447.898 -116.895 365.025 -151.97 -12.55 44.3573 155.431 86.5986 -161.391 PRESSAVG: 4744000 -25.8777 -29.0381 34.171 -29.0381 9.22688 -14.2616 34.1711 -14.2616 16.0587 GPRESSAVG: 4744000 -26.0701 -29.6178 36.3256 -28.6878 8.30598 -15.5123 32.4487 -14.5898 16.7351 TIMING: 4744000 CPU: 15045.7, 0.00310681/step Wall: 15045.7, 0.00310681/step, 0.220929 hours remaining, 242.089844 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: 4744000 4056.4936 20368.1821 14507.2458 235.3649 -203948.1772 2648.9318 0.0000 0.0000 51871.0641 -110260.8948 298.1037 -162131.9590 -109892.3178 298.4681 62.3774 91.3190 759330.1382 -0.1974 -0.3430 PRESSURE: 4744200 -59.0504 -260.793 -33.2315 -260.792 -250.482 156.39 -33.2321 156.39 -178.905 GPRESSURE: 4744200 -171.611 -215.754 51.4827 -267.963 -169.334 261.993 -226.555 106.018 -64.1263 PRESSAVG: 4744200 33.0191 -23.5539 -9.81576 -23.554 -3.12211 26.1927 -9.81579 26.1927 14.5186 GPRESSAVG: 4744200 34.0936 -23.009 -11.595 -26.0361 -3.92941 27.5407 -9.18401 25.659 14.4441 TIMING: 4744200 CPU: 15046.3, 0.00312366/step Wall: 15046.3, 0.00312366/step, 0.221954 hours remaining, 242.089844 MB of memory in use. ENERGY: 4744200 3969.1753 20603.9204 14468.5084 241.4898 -203481.8671 2301.5939 0.0000 0.0000 51700.1204 -110197.0589 297.1213 -161897.1793 -109831.1559 298.0708 -162.8125 -135.0240 760824.9707 14.8052 14.8694 LDB: ============= START OF LOAD BALANCING ============== 15058.7 LDB: ============== END OF LOAD BALANCING =============== 15058.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15058.7 LDB: ============= START OF LOAD BALANCING ============== 15059 LDB: Largest compute 7068 load 0.032621 is 16.7% of average load 0.195544 LDB: Average compute 0.004369 is 2.2% of average load 0.195544 LDB: TIME 15059.1 LOAD: AVG 0.195544 MAX 0.215391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15059.1 LOAD: AVG 0.195544 MAX 0.215391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 15059.1 LOAD: AVG 0.195544 MAX 0.215391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 15059.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15059.1 PRESSURE: 4744400 112.16 4.72958 -123.176 4.73041 446 -37.4416 -123.175 -37.4423 236.152 GPRESSURE: 4744400 85.7584 29.1252 -29.9547 -49.7745 515.559 -25.4558 -134.775 18.0517 285.899 PRESSAVG: 4744400 -32.597 -15.2528 -57.4661 -15.2528 -0.601827 19.2808 -57.4661 19.2808 -1.8747 GPRESSAVG: 4744400 -34.0424 -15.5376 -56.3607 -12.9629 0.17233 17.6573 -57.0489 20.6676 -1.28763 TIMING: 4744400 CPU: 15046.9, 0.00317578/step Wall: 15046.9, 0.00317577/step, 0.22548 hours remaining, 240.039062 MB of memory in use. ENERGY: 4744400 3944.0011 20542.0149 14472.9866 249.5521 -204136.5632 2944.0807 0.0000 0.0000 51661.2536 -110322.6742 296.8979 -161983.9278 -109966.2870 297.6868 264.7706 295.7389 759131.2289 -11.6912 -11.7192 PRESSURE: 4744600 77.8971 230.725 -90.1491 230.725 -316.813 -272.03 -90.1491 -272.031 -209.706 GPRESSURE: 4744600 127.242 1.97487 -48.8859 210.037 -281.238 -243.645 -221.069 -239.805 -198.793 PRESSAVG: 4744600 -1.70715 -43.3766 -8.30612 -43.3766 -7.3086 15.4274 -8.30613 15.4273 -2.30711 GPRESSAVG: 4744600 0.138801 -43.3193 -7.41431 -43.4239 -7.13546 15.3189 -9.27118 16.4108 -3.96167 TIMING: 4744600 CPU: 15047.5, 0.00311108/step Wall: 15047.5, 0.00311108/step, 0.220714 hours remaining, 240.039062 MB of memory in use. ENERGY: 4744600 4011.2878 20452.8123 14378.5870 237.2419 -204019.0386 2738.9611 0.0000 0.0000 51817.2196 -110382.9288 297.7943 -162200.1484 -110031.1700 297.5168 -149.5409 -117.5962 759698.6386 -3.7743 -3.6528 PRESSURE: 4744800 -33.2692 151.164 122.147 151.164 469.829 -210.646 122.147 -210.647 -124.976 GPRESSURE: 4744800 86.6826 146.962 231.543 140.712 411.573 -206.091 61.3275 -134.915 -98.946 PRESSAVG: 4744800 -17.369 -15.0861 -37.5879 -15.0862 37.7355 -35.5889 -37.5879 -35.5889 -8.65909 GPRESSAVG: 4744800 -17.7348 -14.354 -38.7984 -11.9625 37.4752 -34.1481 -35.2766 -37.372 -7.66152 TIMING: 4744800 CPU: 15048.2, 0.00311795/step Wall: 15048.2, 0.00311795/step, 0.221028 hours remaining, 240.039062 MB of memory in use. ENERGY: 4744800 3957.6286 20425.1627 14464.8749 252.8848 -204039.1441 2833.1495 0.0000 0.0000 51704.9898 -110400.4540 297.1493 -162105.4438 -110048.7521 297.4420 103.8612 133.1031 760917.3032 3.9025 4.0263 PRESSURE: 4745000 569.128 -0.416819 5.82632 -0.41645 40.0195 -103.974 5.82713 -103.975 372.011 GPRESSURE: 4745000 673.348 87.377 -86.0262 21.3101 65.9698 -144.673 -25.664 -164.558 340.551 PRESSAVG: 4745000 12.8153 -15.4122 -69.1684 -15.4121 -27.4087 -19.9667 -69.1684 -19.9667 2.55963 GPRESSAVG: 4745000 12.912 -13.054 -67.8881 -17.9848 -26.7694 -21.1245 -70.2281 -19.6485 2.05756 TIMING: 4745000 CPU: 15048.8, 0.00312138/step Wall: 15048.8, 0.00312138/step, 0.221098 hours remaining, 240.039062 MB of memory in use. ENERGY: 4745000 3936.2825 20455.6651 14407.6537 246.9292 -203748.2276 2826.7763 0.0000 0.0000 51624.8849 -110250.0358 296.6889 -161874.9207 -109886.7087 297.5487 327.0526 359.9562 761168.8721 -4.0113 -3.9333 PRESSURE: 4745200 -190.164 -190.558 27.8208 -190.557 -249.578 -15.1832 27.8204 -15.1833 -43.3622 GPRESSURE: 4745200 -116.228 -199.343 2.4654 -157.878 -237.386 -1.87659 0.337849 7.9211 -33.3553 PRESSAVG: 4745200 12.1667 -28.7751 -15.6063 -28.7751 -0.86913 10.3246 -15.6063 10.3246 21.7149 GPRESSAVG: 4745200 11.6443 -31.0352 -17.8065 -28.4624 -0.25388 10.5398 -15.1789 9.45739 22.0618 TIMING: 4745200 CPU: 15049.4, 0.00312633/step Wall: 15049.4, 0.00312633/step, 0.221275 hours remaining, 240.039062 MB of memory in use. ENERGY: 4745200 3886.6649 20681.3629 14486.3125 262.6388 -203127.9685 2268.2293 0.0000 0.0000 51448.4644 -110094.2957 295.6750 -161542.7601 -109746.9894 297.6223 -161.0345 -128.9898 761627.5516 11.0042 11.1507 PRESSURE: 4745400 146.339 -131.344 178.531 -131.343 -266.05 94.9326 178.531 94.9335 -369.303 GPRESSURE: 4745400 105.265 -226.341 150.417 -88.5134 -235.765 131.396 217.281 185.576 -273.55 PRESSAVG: 4745400 48.6324 -72.8683 35.7489 -72.8683 -37.9867 119.057 35.7488 119.057 -20.5695 GPRESSAVG: 4745400 48.7459 -73.2488 35.5071 -73.0036 -38.4289 119.987 35.265 119.393 -20.5607 TIMING: 4745400 CPU: 15050, 0.00313044/step Wall: 15050, 0.00313044/step, 0.221392 hours remaining, 240.039062 MB of memory in use. ENERGY: 4745400 3968.8329 20471.4817 14530.2389 233.7604 -203113.6506 2217.7299 0.0000 0.0000 51729.0374 -109962.5692 297.2875 -161691.6067 -109606.0485 297.4180 -163.0049 -134.6831 760599.9245 -3.3079 -3.4146 PRESSURE: 4745600 -150.494 120.889 -156.825 120.889 128.084 12.2477 -156.825 12.248 -94.839 GPRESSURE: 4745600 -149.147 103.968 -150.853 21.6152 126.003 -0.92068 -87.0087 -49.788 0.818044 PRESSAVG: 4745600 11.8874 -91.6585 23.1573 -91.6585 -38.4208 29.8201 23.1573 29.8201 13.8256 GPRESSAVG: 4745600 11.2149 -92.0217 23.2676 -91.6989 -37.5312 29.0892 23.7792 29.1527 13.9603 TIMING: 4745600 CPU: 15050.7, 0.0031308/step Wall: 15050.7, 0.0031308/step, 0.221243 hours remaining, 240.039062 MB of memory in use. ENERGY: 4745600 4038.6048 20449.4124 14440.9894 256.0011 -202836.1219 2290.7930 0.0000 0.0000 51600.4053 -109759.9158 296.5482 -161360.3211 -109402.0365 298.3233 -39.0831 -7.4419 761862.6794 -4.2359 -4.1187 PRESSURE: 4745800 -34.832 -16.9946 34.8062 -16.9945 -159.584 156.303 34.8054 156.304 166.908 GPRESSURE: 4745800 -54.6414 -93.1591 129.524 -105.588 -125.138 114.065 106.683 250.59 223.32 PRESSAVG: 4745800 -25.7238 -1.91359 7.29891 -1.91367 40.48 42.5133 7.29895 42.5134 3.69506 GPRESSAVG: 4745800 -24.1315 -1.98149 7.5472 -3.0868 38.5708 43.1246 8.16995 43.7203 3.8548 TIMING: 4745800 CPU: 15051.3, 0.00311255/step Wall: 15051.3, 0.00311255/step, 0.219781 hours remaining, 240.039062 MB of memory in use. ENERGY: 4745800 3931.8693 20501.4000 14479.3159 264.1280 -203631.8282 2697.0404 0.0000 0.0000 51903.3853 -109854.6893 298.2895 -161758.0745 -109493.1465 297.9776 -9.1692 14.5136 761148.0327 6.1504 6.0980 PRESSURE: 4746000 -311.929 54.0174 158.802 54.0174 28.1787 -238.924 158.802 -238.924 -129.518 GPRESSURE: 4746000 -307.535 -2.01252 75.8538 31.0447 75.7289 -285.118 56.425 -165.732 -103.434 PRESSAVG: 4746000 7.96669 -84.8482 12.6412 -84.8482 8.83256 21.4744 12.6411 21.4744 -5.41251 GPRESSAVG: 4746000 6.46308 -84.8324 11.5689 -83.7054 10.3447 19.5833 11.7859 21.7368 -5.95156 TIMING: 4746000 CPU: 15051.9, 0.00311327/step Wall: 15051.9, 0.00311327/step, 0.219659 hours remaining, 240.039062 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: 4746000 3938.4000 20510.5472 14417.4365 255.1603 -203058.1133 2427.4717 0.0000 0.0000 51861.5205 -109647.5770 298.0489 -161509.0975 -109294.7036 298.4948 -137.7563 -111.7467 763114.6060 3.7956 3.6188 PRESSURE: 4746200 -153.964 -45.626 -119.81 -45.6256 -166.554 95.6679 -119.81 95.6668 -77.2902 GPRESSURE: 4746200 -161.503 -5.92478 -117.859 -182.754 -126.669 80.5896 -34.9809 6.74316 -23.8908 PRESSAVG: 4746200 -42.5543 -37.391 -20.1034 -37.391 24.9505 9.15627 -20.1034 9.1563 -2.11286 GPRESSAVG: 4746200 -43.2539 -36.1913 -17.2921 -37.7146 24.326 9.93601 -21.1596 8.03724 -1.10252 TIMING: 4746200 CPU: 15052.5, 0.00312087/step Wall: 15052.5, 0.00312087/step, 0.220021 hours remaining, 240.039062 MB of memory in use. ENERGY: 4746200 3985.4980 20566.5245 14435.5075 228.1928 -203098.8855 2279.6470 0.0000 0.0000 52064.7445 -109538.7713 299.2168 -161603.5158 -109181.3231 299.3340 -132.6029 -104.0208 761871.2032 -6.5722 -6.6768 PRESSURE: 4746400 -146.526 -362.498 -282.128 -362.499 101.988 112.603 -282.128 112.603 -26.8811 GPRESSURE: 4746400 -138.505 -330.81 -222.968 -173.321 154.133 103.871 -218.902 -42.3661 3.36214 PRESSAVG: 4746400 -33.8531 -49.8468 -2.25941 -49.8468 39.0431 -53.4763 -2.25932 -53.4763 21.2637 GPRESSAVG: 4746400 -33.2808 -50.5212 -3.95702 -50.3417 39.0596 -51.4778 -2.3022 -53.1409 20.5225 TIMING: 4746400 CPU: 15053.2, 0.00313363/step Wall: 15053.2, 0.00313362/step, 0.220746 hours remaining, 240.039062 MB of memory in use. ENERGY: 4746400 4034.6982 20641.8475 14423.7469 233.2257 -203337.6318 2700.7775 0.0000 0.0000 52127.6702 -109175.6657 299.5784 -161303.3360 -108816.2419 299.4350 -23.8063 6.3301 762894.1150 8.8179 8.7671 PRESSURE: 4746600 -104.33 -20.6394 64.1834 -20.6395 -88.4923 47.4696 64.1835 47.4708 -150.88 GPRESSURE: 4746600 -167.696 -155.154 30.5475 -125.01 25.287 83.9263 -70.2715 -52.5412 -118.195 PRESSAVG: 4746600 -25.634 -65.0167 -13.7418 -65.0167 20.3421 32.2492 -13.7418 32.2492 24.1517 GPRESSAVG: 4746600 -26.1031 -64.3408 -13.2196 -64.6949 20.749 31.1734 -14.965 33.0093 23.6405 TIMING: 4746600 CPU: 15053.8, 0.00312943/step Wall: 15053.8, 0.00312943/step, 0.220277 hours remaining, 240.039062 MB of memory in use. ENERGY: 4746600 4006.0436 20623.7445 14451.2211 254.5691 -203072.6860 2361.5331 0.0000 0.0000 52278.6136 -109096.9611 300.4459 -161375.5747 -108740.3176 300.6736 -114.5675 -86.8680 761817.7622 6.2866 6.0955 PRESSURE: 4746800 30.3342 23.6478 -59.2396 23.6475 262.905 12.2239 -59.2397 12.2248 211.681 GPRESSURE: 4746800 18.6958 -88.6099 -49.3274 18.2502 285.467 -55.2014 -92.3924 76.4007 278.203 PRESSAVG: 4746800 28.2492 -38.185 7.95241 -38.185 1.60369 23.5203 7.9524 23.5203 13.7339 GPRESSAVG: 4746800 27.7896 -38.7366 6.37927 -37.4064 1.72176 24.0957 9.38742 24.6477 14.135 TIMING: 4746800 CPU: 15054.4, 0.00312723/step Wall: 15054.4, 0.00312723/step, 0.219949 hours remaining, 240.039062 MB of memory in use. ENERGY: 4746800 3967.9630 20487.8897 14536.3303 231.8744 -203153.4645 2618.1310 0.0000 0.0000 52252.2634 -109059.0127 300.2945 -161311.2761 -108699.4955 300.3395 168.3068 194.1221 761826.3474 14.5289 14.5488 PRESSURE: 4747000 29.5821 -125.212 -29.5667 -125.212 -146.359 61.104 -29.5666 61.1046 42.8422 GPRESSURE: 4747000 90.8341 -105.277 -22.1594 -65.0735 -163.711 57.7145 -75.3952 102.333 54.8494 PRESSAVG: 4747000 -27.963 -24.3007 -25.6135 -24.3007 6.31641 -31.3028 -25.6135 -31.3029 16.8728 GPRESSAVG: 4747000 -27.3249 -24.1056 -24.1623 -22.8656 3.75372 -31.9689 -25.9742 -31.8755 18.2224 TIMING: 4747000 CPU: 15055, 0.00310898/step Wall: 15055, 0.00310898/step, 0.218492 hours remaining, 240.039062 MB of memory in use. ENERGY: 4747000 4061.4197 20714.5353 14475.5807 245.7373 -203451.3580 2625.9054 0.0000 0.0000 52276.9452 -109051.2344 300.4363 -161328.1796 -108683.3650 300.4479 -24.6450 -6.0093 761829.7827 -1.5913 -1.7829 PRESSURE: 4747200 -196.821 -78.4572 160.755 -78.4567 -68.5174 102.538 160.755 102.539 -254.276 GPRESSURE: 4747200 -190.861 -172.44 83.3674 -49.0734 -9.49455 79.4645 56.7679 124.732 -220.803 PRESSAVG: 4747200 67.1742 -23.8356 -13.9623 -23.8356 -48.203 -1.44989 -13.9623 -1.44988 -13.784 GPRESSAVG: 4747200 65.6546 -25.2676 -14.049 -24.4285 -45.9931 -1.94619 -13.2878 0.470162 -14.2792 TIMING: 4747200 CPU: 15055.7, 0.00311036/step Wall: 15055.7, 0.00311036/step, 0.218416 hours remaining, 240.039062 MB of memory in use. ENERGY: 4747200 3967.6274 20564.4166 14519.5849 233.8178 -203383.6390 2637.5017 0.0000 0.0000 52229.1433 -109231.5473 300.1616 -161460.6906 -108867.0286 300.1502 -173.2046 -140.3864 761524.1690 1.7291 1.7941 PRESSURE: 4747400 -258.343 44.2559 -204.573 44.2556 -395.139 -40.716 -204.573 -40.7163 -627.943 GPRESSURE: 4747400 -243.893 2.9172 -182.883 73.2369 -393.576 -120.307 -123.932 21.513 -532.497 PRESSAVG: 4747400 46.8666 56.3338 -63.6681 56.3338 -41.4586 -2.44989 -63.6681 -2.44989 0.72891 GPRESSAVG: 4747400 48.462 58.8082 -63.671 53.0541 -42.0888 -1.4513 -62.4462 -4.80336 -0.00234994 TIMING: 4747400 CPU: 15056.3, 0.0031087/step Wall: 15056.3, 0.0031087/step, 0.218127 hours remaining, 240.039062 MB of memory in use. ENERGY: 4747400 3996.1900 20545.2208 14468.4008 266.5832 -203188.2661 2346.6473 0.0000 0.0000 52124.5875 -109440.6364 299.5607 -161565.2240 -109082.1890 299.6355 -427.1416 -389.9888 762010.9726 2.0456 2.1236 PRESSURE: 4747600 119.087 -50.5696 6.9892 -50.57 -53.141 -109.544 6.98915 -109.544 -5.77183 GPRESSURE: 4747600 105.037 -87.3252 33.4776 -46.2785 -14.1604 -191.771 -10.8676 -22.4838 40.4627 PRESSAVG: 4747600 3.91065 70.6613 9.0325 70.6613 1.04624 13.4411 9.03265 13.4411 -2.61445 GPRESSAVG: 4747600 2.81963 68.3836 9.82277 73.0992 1.89444 12.3404 8.18527 14.6524 -2.1845 TIMING: 4747600 CPU: 15056.9, 0.00311049/step Wall: 15056.9, 0.00311049/step, 0.21808 hours remaining, 240.039062 MB of memory in use. ENERGY: 4747600 3940.3333 20665.8887 14502.3610 267.4399 -203556.2293 2727.0536 0.0000 0.0000 51970.8734 -109482.2795 298.6773 -161453.1529 -109120.6071 299.9455 20.0582 43.7798 761964.4085 0.7808 0.8432 PRESSURE: 4747800 -239.454 -56.6935 63.2753 -56.6947 -110.587 -18.9476 63.2753 -18.9476 48.2134 GPRESSURE: 4747800 -139.207 -46.1695 123.243 -101.913 -9.92114 34.3597 82.3033 -76.2035 -68.6547 PRESSAVG: 4747800 59.7402 -5.5749 -58.9781 -5.57491 -37.9127 53.9589 -58.9781 53.9589 26.0804 GPRESSAVG: 4747800 60.6376 -4.41263 -60.0991 -7.56476 -37.8156 55.5547 -58.1638 53.1085 25.0458 TIMING: 4747800 CPU: 15057.5, 0.00312618/step Wall: 15057.5, 0.00312618/step, 0.219006 hours remaining, 240.039062 MB of memory in use. ENERGY: 4747800 4051.5435 20532.5819 14487.1638 243.7709 -203493.0386 2473.1318 0.0000 0.0000 52333.9204 -109370.9262 300.7638 -161704.8467 -109004.6249 299.7600 -100.6094 -72.5941 761195.9316 15.9693 15.9559 PRESSURE: 4748000 -196.434 -83.5791 66.3573 -83.5782 -334.559 -32.2109 66.3582 -32.2105 -504.716 GPRESSURE: 4748000 -223.978 -152.096 89.341 -78.6256 -282.359 133.509 -33.242 45.0352 -424.45 PRESSAVG: 4748000 23.2093 -26.1171 4.76931 -26.1172 -31.8161 -3.01858 4.76934 -3.01855 13.6604 GPRESSAVG: 4748000 21.9265 -25.4563 6.8864 -24.8296 -30.8019 -2.78699 3.36636 -3.54376 13.9652 TIMING: 4748000 CPU: 15058.2, 0.00311919/step Wall: 15058.2, 0.00311919/step, 0.218343 hours remaining, 240.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4748000 4052.4993 20599.9345 14480.1767 236.1146 -203528.2455 2474.5725 0.0000 0.0000 52059.4398 -109625.5080 299.1863 -161684.9478 -109252.8153 299.4185 -345.2366 -310.2622 760842.6599 1.6846 1.6966 PRESSURE: 4748200 -19.7228 -175.217 -44.9478 -175.216 -82.5965 -68.7009 -44.9471 -68.7017 113.126 GPRESSURE: 4748200 86.9418 -223.148 5.60435 -137.729 -178.233 -119.936 47.2538 -81.6453 174.848 PRESSAVG: 4748200 54.2254 -48.1008 3.21654 -48.1008 -66.2318 28.6928 3.21654 28.6928 -31.9707 GPRESSAVG: 4748200 55.0933 -48.1937 1.63795 -48.3945 -67.7771 29.3124 3.55791 29.1409 -31.0492 TIMING: 4748200 CPU: 15058.8, 0.00312628/step Wall: 15058.8, 0.00312628/step, 0.218666 hours remaining, 240.039062 MB of memory in use. ENERGY: 4748200 4015.8861 20709.0726 14545.0432 242.8110 -203939.0295 2749.9861 0.0000 0.0000 52077.2355 -109598.9950 299.2886 -161676.2305 -109240.4044 299.3535 3.6022 27.8523 760453.4511 -14.6590 -14.5777 LDB: ============= START OF LOAD BALANCING ============== 15071.2 LDB: ============== END OF LOAD BALANCING =============== 15071.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15071.2 LDB: ============= START OF LOAD BALANCING ============== 15071.5 LDB: Largest compute 7069 load 0.032861 is 16.8% of average load 0.195607 LDB: Average compute 0.004353 is 2.2% of average load 0.195607 LDB: TIME 15071.5 LOAD: AVG 0.195607 MAX 0.217346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.227 MB LDB: TIME 15071.5 LOAD: AVG 0.195607 MAX 0.217346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.23 MB LDB: TIME 15071.5 LOAD: AVG 0.195607 MAX 0.217346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.23 MB LDB: ============== END OF LOAD BALANCING =============== 15071.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15071.6 PRESSURE: 4748400 122.263 -64.0989 38.2004 -64.0989 -73.4748 -6.16406 38.2008 -6.16401 -60.5886 GPRESSURE: 4748400 98.4304 -109.405 5.6943 -117.067 -91.8299 -58.1599 -189.712 0.822985 57.6549 PRESSAVG: 4748400 26.9593 -98.6622 55.4957 -98.6623 -51.9078 5.21606 55.4957 5.21601 7.3543 GPRESSAVG: 4748400 26.7641 -96.1139 55.1643 -100.278 -51.6407 3.16467 57.2058 6.10532 6.74531 TIMING: 4748400 CPU: 15059.4, 0.00317332/step Wall: 15059.4, 0.00317332/step, 0.22178 hours remaining, 241.578125 MB of memory in use. ENERGY: 4748400 3903.7594 20460.7390 14520.8326 237.6334 -203568.4873 2617.0510 0.0000 0.0000 52190.1525 -109638.3194 299.9375 -161828.4719 -109259.3830 299.3490 -3.9335 21.4185 759744.9178 -5.8647 -6.0438 PRESSURE: 4748600 -386.355 -20.0756 240.35 -20.0752 148.012 110.451 240.351 110.45 349.042 GPRESSURE: 4748600 -273.291 -119.977 161.797 -211.953 105.973 32.2136 160.233 -41.2798 353.965 PRESSAVG: 4748600 54.1764 -65.406 37.3034 -65.4059 -66.6135 49.9453 37.3034 49.9453 17.5797 GPRESSAVG: 4748600 53.9524 -68.0148 37.114 -65.2306 -67.0585 51.0629 37.6573 49.3521 18.208 TIMING: 4748600 CPU: 15060, 0.00311381/step Wall: 15060, 0.00311381/step, 0.217448 hours remaining, 241.578125 MB of memory in use. ENERGY: 4748600 4025.4947 20416.4044 14467.3227 254.3086 -203754.4036 2647.7744 0.0000 0.0000 52274.8829 -109668.2160 300.4245 -161943.0989 -109300.5848 298.9702 36.8997 62.2160 761912.2409 1.7142 1.7006 PRESSURE: 4748800 -17.5112 39.4662 116.045 39.4655 181.773 -13.4846 116.046 -13.4843 358.193 GPRESSURE: 4748800 -9.46282 56.168 107.478 -7.61432 237.072 37.8258 192.719 -68.7496 374.622 PRESSAVG: 4748800 7.43741 -38.4211 13.6659 -38.4211 -28.7731 43.9122 13.666 43.9122 -0.780472 GPRESSAVG: 4748800 8.23491 -39.9679 15.1777 -36.2388 -28.2706 44.7057 12.5999 43.1919 -2.35349 TIMING: 4748800 CPU: 15060.7, 0.00310035/step Wall: 15060.7, 0.00310035/step, 0.216336 hours remaining, 241.578125 MB of memory in use. ENERGY: 4748800 3972.0243 20634.6676 14469.0999 249.3561 -203562.2955 2579.6874 0.0000 0.0000 52145.2724 -109512.1877 299.6796 -161657.4601 -109157.2230 298.9956 174.1518 200.7440 760414.3443 -7.3720 -7.4631 PRESSURE: 4749000 -234.593 171.445 -199.159 171.445 -193.074 -31.3926 -199.158 -31.3927 320.044 GPRESSURE: 4749000 -239.883 146.716 -244.323 163.31 -125.874 -28.8111 -61.7829 81.1624 359.471 PRESSAVG: 4749000 -18.0492 -41.1093 17.1292 -41.1093 31.2416 -1.01252 17.1292 -1.0126 23.1846 GPRESSAVG: 4749000 -18.1406 -38.7554 15.9679 -43.3563 30.7301 -1.80583 17.3189 -0.018776 23.7702 TIMING: 4749000 CPU: 15061.3, 0.00311153/step Wall: 15061.3, 0.00311153/step, 0.216943 hours remaining, 241.578125 MB of memory in use. ENERGY: 4749000 4102.3548 20469.0211 14467.5608 239.0205 -203598.4303 2640.9829 0.0000 0.0000 52139.8051 -109539.6851 299.6482 -161679.4902 -109176.3625 299.2934 -35.8740 -2.0954 762308.0119 12.1257 12.1199 PRESSURE: 4749200 -38.02 62.3321 -201.16 62.3328 405.507 -125.932 -201.159 -125.933 -128.874 GPRESSURE: 4749200 118.731 115.894 -155.874 -66.3357 385.171 -142.941 -198.601 -156.544 -191.57 PRESSAVG: 4749200 -43.4585 -4.7775 10.2327 -4.77757 10.4357 63.7733 10.2328 63.7733 -17.3086 GPRESSAVG: 4749200 -43.8433 -5.64083 10.184 -3.17382 9.13885 63.6806 11.7841 64.1829 -16.3931 TIMING: 4749200 CPU: 15061.9, 0.0031113/step Wall: 15061.9, 0.0031113/step, 0.216754 hours remaining, 241.578125 MB of memory in use. ENERGY: 4749200 3962.0583 20497.1192 14511.5251 250.8914 -204152.5136 3054.0620 0.0000 0.0000 52410.1312 -109466.7264 301.2017 -161876.8576 -109100.3690 299.6796 79.5378 104.1106 761784.6144 -16.7771 -17.0325 PRESSURE: 4749400 69.4875 -45.5989 -143.011 -45.5982 -142.238 219.925 -143.012 219.923 -291.478 GPRESSURE: 4749400 137.166 40.6105 -82.1243 -31.0515 -121.825 172.356 6.56406 124.521 -313.652 PRESSAVG: 4749400 -18.1384 18.6368 -0.881411 18.6369 25.7157 -13.4613 -0.881413 -13.4614 11.1947 GPRESSAVG: 4749400 -17.7574 19.2474 -0.161855 16.8042 26.7109 -12.9748 1.81064 -15.5211 9.64402 TIMING: 4749400 CPU: 15062.5, 0.00312061/step Wall: 15062.5, 0.00312061/step, 0.217229 hours remaining, 241.578125 MB of memory in use. ENERGY: 4749400 3978.1186 20511.2810 14458.5255 248.8151 -202849.3170 2190.9742 0.0000 0.0000 51970.8427 -109490.7599 298.6771 -161461.6026 -109137.3574 299.5327 -121.4095 -99.4369 760817.1139 6.2573 6.1992 PRESSURE: 4749600 67.4979 -128.612 -10.6931 -128.61 120.638 214.559 -10.6931 214.56 13.3776 GPRESSURE: 4749600 102.452 -166.259 -2.86112 -91.586 126.63 266.629 -34.6785 102.128 62.0783 PRESSAVG: 4749600 -41.2971 -78.1602 -3.79003 -78.1602 -6.08968 54.6064 -3.78997 54.6064 4.73452 GPRESSAVG: 4749600 -42.5712 -77.0776 -3.02385 -76.8479 -6.20433 55.1535 -8.68296 54.2352 6.0406 TIMING: 4749600 CPU: 15063.2, 0.00311733/step Wall: 15063.2, 0.00311733/step, 0.216827 hours remaining, 241.578125 MB of memory in use. ENERGY: 4749600 4029.3679 20596.0433 14492.2382 244.9043 -203407.5936 2513.1620 0.0000 0.0000 52098.3868 -109433.4911 299.4101 -161531.8779 -109077.8661 299.6143 67.1713 97.0533 760400.0883 -14.2174 -14.2450 PRESSURE: 4749800 -94.5993 -24.9332 170.917 -24.9327 -155.943 92.5669 170.917 92.5664 -290.229 GPRESSURE: 4749800 -20.8566 -92.324 140.299 -160.201 -160.444 100.931 201.264 123.616 -261.628 PRESSAVG: 4749800 -9.7385 5.19786 -7.61156 5.19777 -57.0085 20.2328 -7.61168 20.2328 -10.0064 GPRESSAVG: 4749800 -8.64672 3.58018 -6.73962 5.37602 -58.5436 20.4215 -5.39153 20.7142 -10.1709 TIMING: 4749800 CPU: 15063.8, 0.00312146/step Wall: 15063.8, 0.00312146/step, 0.216942 hours remaining, 241.578125 MB of memory in use. ENERGY: 4749800 3977.1972 20576.3657 14479.8111 240.0280 -203183.6429 2430.3292 0.0000 0.0000 52107.2201 -109372.6916 299.4609 -161479.9117 -109021.7234 299.6494 -180.2573 -147.6428 761308.1311 -25.5845 -25.7871 PRESSURE: 4750000 128.026 90.6134 -96.7177 90.613 84.0349 240.017 -96.7179 240.016 431.825 GPRESSURE: 4750000 234.483 58.6735 73.6007 129.476 93.7798 184.115 -196.13 186.88 390.901 PRESSAVG: 4750000 6.1667 -40.7763 41.2216 -40.7763 22.9875 57.0629 41.2217 57.0628 24.6587 GPRESSAVG: 4750000 4.76996 -41.0335 41.5077 -41.2718 23.1936 56.602 38.294 55.5142 25.2158 TIMING: 4750000 CPU: 15064.4, 0.00310176/step Wall: 15064.4, 0.00310176/step, 0.2154 hours remaining, 241.578125 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: 4750000 3921.1179 20616.7699 14415.1106 243.1730 -203497.2312 2927.0630 0.0000 0.0000 52079.6575 -109294.3395 299.3025 -161373.9969 -108931.8193 300.0595 214.6285 239.7213 760664.5032 17.9376 17.7264 PRESSURE: 4750200 66.4458 -3.605 -127.46 -3.60343 116.225 -36.1237 -127.459 -36.1229 64.8471 GPRESSURE: 4750200 87.767 -99.8297 -105.17 26.4549 77.5133 -14.0912 -196.253 51.3632 155.419 PRESSAVG: 4750200 73.2697 -16.9348 6.19473 -16.9348 -77.7978 33.5377 6.19478 33.5377 -23.9599 GPRESSAVG: 4750200 73.3323 -17.4531 3.8615 -16.9377 -76.4831 32.2316 8.38558 36.9038 -25.2732 TIMING: 4750200 CPU: 15065, 0.00311594/step Wall: 15065, 0.00311594/step, 0.216212 hours remaining, 241.578125 MB of memory in use. ENERGY: 4750200 4028.8905 20599.0815 14377.6677 256.9120 -202894.1554 2476.5979 0.0000 0.0000 52024.5333 -109130.4725 298.9857 -161155.0058 -108775.9705 299.9502 82.5059 106.8997 761357.7303 -9.4960 -9.4747 PRESSURE: 4750400 -298.847 43.9008 144.087 43.9008 -221.812 35.281 144.087 35.2806 -67.7012 GPRESSURE: 4750400 -311.549 141.687 105.785 2.23897 -130.789 89.8673 177.85 1.25067 -90.2419 PRESSAVG: 4750400 36.2292 -29.3888 24.9566 -29.3887 -39.334 52.1601 24.9566 52.1601 -9.54914 GPRESSAVG: 4750400 36.4715 -27.0601 27.2597 -27.3655 -39.7161 52.2097 23.6617 51.1326 -9.8509 TIMING: 4750400 CPU: 15065.6, 0.00312697/step Wall: 15065.6, 0.00312697/step, 0.216803 hours remaining, 241.578125 MB of memory in use. ENERGY: 4750400 4030.9941 20698.4810 14472.9355 260.8152 -203247.7911 2496.3290 0.0000 0.0000 52272.9266 -109015.3096 300.4132 -161288.2362 -108660.8635 300.4013 -196.1201 -177.5268 761668.8369 -4.2180 -4.3652 PRESSURE: 4750600 -54.4904 1.11039 -89.2406 1.11031 -114.459 -19.1089 -89.2406 -19.11 -73.8654 GPRESSURE: 4750600 -54.5546 17.9265 -149.279 -75.2007 -52.9861 -24.6383 -25.5606 -152.616 -69.1068 PRESSAVG: 4750600 28.1092 -44.8261 -13.7845 -44.8262 -22.8351 20.2102 -13.7846 20.2103 12.052 GPRESSAVG: 4750600 27.882 -46.4399 -14.2836 -47.4097 -22.5243 19.786 -13.0954 21.3175 12.1565 TIMING: 4750600 CPU: 15066.3, 0.00311587/step Wall: 15066.3, 0.00311587/step, 0.215861 hours remaining, 241.578125 MB of memory in use. ENERGY: 4750600 3955.0402 20508.7158 14519.4156 271.1275 -202971.2948 2472.9379 0.0000 0.0000 52181.2393 -109062.8185 299.8863 -161244.0578 -108690.6716 300.5947 -80.9384 -58.8825 762463.3405 5.7753 5.8381 PRESSURE: 4750800 289.852 16.8905 -90.425 16.8904 38.8742 -113.116 -90.4254 -113.117 260.282 GPRESSURE: 4750800 224.371 44.1025 -123.974 -82.06 191.183 -95.0557 -50.243 -63.9765 275.237 PRESSAVG: 4750800 55.5873 -3.58092 39.1098 -3.58087 -51.243 54.5017 39.1098 54.5016 -11.466 GPRESSAVG: 4750800 55.4265 -4.34777 38.3416 -1.48182 -51.8767 56.9887 40.8111 52.8805 -10.7256 TIMING: 4750800 CPU: 15066.9, 0.00311292/step Wall: 15066.9, 0.00311292/step, 0.215483 hours remaining, 241.578125 MB of memory in use. ENERGY: 4750800 3951.2210 20547.3608 14553.1790 235.4716 -203609.8038 3046.1823 0.0000 0.0000 52300.7944 -108975.5947 300.5734 -161276.3891 -108613.8598 300.3508 196.3363 230.2638 760769.2539 -2.3739 -2.3919 PRESSURE: 4751000 -45.9713 28.3118 -96.8162 28.3119 -363.006 0.343974 -96.815 0.342892 138.001 GPRESSURE: 4751000 -13.488 101.224 -66.922 38.4633 -273.461 -47.768 -43.1953 -25.5347 93.73 PRESSAVG: 4751000 -19.3152 -62.364 -7.87873 -62.364 -42.6661 13.5805 -7.8787 13.5805 0.360388 GPRESSAVG: 4751000 -19.2182 -63.1234 -7.75564 -63.5006 -43.0916 12.1623 -7.33039 12.8963 0.224838 TIMING: 4751000 CPU: 15067.5, 0.00312696/step Wall: 15067.5, 0.00312696/step, 0.216281 hours remaining, 241.578125 MB of memory in use. ENERGY: 4751000 3984.2770 20491.2279 14479.2750 241.6075 -203419.5318 2830.9749 0.0000 0.0000 52176.3286 -109215.8409 299.8581 -161392.1695 -108851.4339 299.9125 -90.3253 -64.4065 763317.7086 -20.5403 -20.6950 PRESSURE: 4751200 -216.929 28.2059 167.339 28.206 -76.7744 -254.496 167.339 -254.496 -185.738 GPRESSURE: 4751200 -200.953 -14.1498 100.862 69.0652 -33.2164 -219.62 129.892 -207.093 -192.503 PRESSAVG: 4751200 28.3148 -32.8632 26.3839 -32.8632 -70.2826 -4.55849 26.3839 -4.55844 -0.811469 GPRESSAVG: 4751200 27.4355 -33.1949 25.9591 -31.2286 -68.6831 -4.81169 25.7638 -5.40865 -1.94125 TIMING: 4751200 CPU: 15068.1, 0.00313706/step Wall: 15068.1, 0.00313706/step, 0.216806 hours remaining, 241.578125 MB of memory in use. ENERGY: 4751200 3989.7270 20583.8216 14462.5849 254.9149 -203006.6553 2427.6998 0.0000 0.0000 52132.7642 -109155.1429 299.6077 -161287.9071 -108794.1517 299.5940 -159.8141 -142.2242 762682.6002 -14.2598 -14.3963 PRESSURE: 4751400 -51.0632 -100.52 144.787 -100.52 -716.558 -51.5947 144.788 -51.5949 224.76 GPRESSURE: 4751400 -66.3165 -90.9915 172.879 -127.153 -651.253 -127.485 -25.4352 -112.583 242.447 PRESSAVG: 4751400 57.7949 -41.6158 31.8159 -41.6158 -9.83211 -12.156 31.8159 -12.156 -6.53547 GPRESSAVG: 4751400 58.8851 -38.8556 31.8586 -44.3559 -11.474 -13.3696 29.8605 -9.07851 -5.42816 TIMING: 4751400 CPU: 15068.8, 0.00311185/step Wall: 15068.8, 0.00311185/step, 0.21489 hours remaining, 241.578125 MB of memory in use. ENERGY: 4751400 4071.7333 20555.0350 14507.2926 239.3564 -202975.7528 2348.2430 0.0000 0.0000 51839.0053 -109415.0874 297.9195 -161254.0927 -109057.7318 299.3766 -180.9538 -158.3740 761970.9800 13.8091 13.9943 PRESSURE: 4751600 -205.913 78.908 -185.659 78.908 185.945 152.089 -185.659 152.089 195.923 GPRESSURE: 4751600 -61.8572 -30.8486 -71.3463 70.0665 174.73 215.638 -46.6009 168.11 157.108 PRESSAVG: 4751600 31.452 9.15263 40.7731 9.15261 -32.2757 -33.6838 40.7731 -33.6838 11.3021 GPRESSAVG: 4751600 32.2885 6.84087 40.8208 12.524 -32.7439 -32.8891 41.7625 -34.5258 11.4138 TIMING: 4751600 CPU: 15069.4, 0.00311747/step Wall: 15069.4, 0.00311747/step, 0.215105 hours remaining, 241.578125 MB of memory in use. ENERGY: 4751600 3966.7996 20565.1531 14477.4474 256.2242 -203389.7186 2653.0759 0.0000 0.0000 52122.7691 -109348.2493 299.5503 -161471.0183 -108992.6811 299.4612 58.6515 89.9936 760951.5261 3.4928 3.6528 PRESSURE: 4751800 131.793 115.27 -2.35417 115.269 18.1597 -39.9206 -2.35389 -39.9209 -245.453 GPRESSURE: 4751800 124.099 118.981 -2.21236 25.6308 18.2797 -111.049 -8.69235 131.154 -152.141 PRESSAVG: 4751800 57.9578 -40.2391 -10.5794 -40.2392 -59.7653 14.4956 -10.5794 14.4956 -5.69425 GPRESSAVG: 4751800 56.6365 -39.5029 -9.78826 -42.4113 -59.3289 15.1405 -11.6296 13.1835 -5.43008 TIMING: 4751800 CPU: 15070, 0.00311139/step Wall: 15070, 0.00311139/step, 0.214513 hours remaining, 241.578125 MB of memory in use. ENERGY: 4751800 3943.5351 20431.9768 14454.8457 234.5183 -202984.3757 2511.2988 0.0000 0.0000 52093.9483 -109314.2527 299.3846 -161408.2010 -108942.3420 299.4587 -31.8333 -3.2540 761771.3404 -2.5006 -2.7075 PRESSURE: 4752000 108.212 -289.911 -328.721 -289.911 47.8118 16.0724 -328.721 16.0729 140.623 GPRESSURE: 4752000 197.909 -224.033 -333.948 -279.346 76.9972 -11.797 -293.024 -3.11095 120.339 PRESSAVG: 4752000 29.7353 -32.0111 22.7393 -32.011 -23.3648 -15.5049 22.7393 -15.505 -1.72044 GPRESSAVG: 4752000 30.7818 -31.4042 22.0871 -31.5464 -22.22 -15.1782 23.4789 -14.8867 -4.15162 TIMING: 4752000 CPU: 15070.6, 0.00314039/step Wall: 15070.6, 0.00314039/step, 0.216338 hours remaining, 241.578125 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: 4752000 4014.5935 20513.3373 14438.8681 232.1952 -202820.7582 2332.2297 0.0000 0.0000 52067.5790 -109221.9553 299.2331 -161289.5344 -108874.2997 299.3476 98.8823 131.7484 761098.2788 1.5500 1.4700 PRESSURE: 4752200 289.077 18.5699 -106.174 18.5696 275.467 96.0658 -106.174 96.0648 202.604 GPRESSURE: 4752200 335.477 -31.8249 -111.035 30.9775 279.868 102.187 -98.3839 46.3127 223.892 PRESSAVG: 4752200 -14.0226 -23.9482 -11.9448 -23.9481 1.8841 1.30915 -11.9449 1.30918 5.03303 GPRESSAVG: 4752200 -14.8666 -23.2322 -12.7994 -25.7808 0.463307 -0.488763 -12.263 0.300305 7.42097 TIMING: 4752200 CPU: 15071.3, 0.0031222/step Wall: 15071.3, 0.0031222/step, 0.214911 hours remaining, 241.578125 MB of memory in use. ENERGY: 4752200 3965.6444 20253.8111 14472.4561 243.3680 -203190.7339 2673.1605 0.0000 0.0000 52090.9220 -109491.3718 299.3672 -161582.2938 -109128.7318 299.1869 255.7161 279.7456 761553.7030 -2.3685 -2.3274 LDB: ============= START OF LOAD BALANCING ============== 15083.7 LDB: ============== END OF LOAD BALANCING =============== 15083.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15083.7 LDB: ============= START OF LOAD BALANCING ============== 15084 LDB: Largest compute 7068 load 0.033725 is 17.2% of average load 0.195566 LDB: Average compute 0.004369 is 2.2% of average load 0.195566 LDB: TIME 15084 LOAD: AVG 0.195566 MAX 0.21841 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 15084 LOAD: AVG 0.195566 MAX 0.21841 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 15084 LOAD: AVG 0.195566 MAX 0.21666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 15084 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15084 PRESSURE: 4752400 -195.093 315.148 -37.3056 315.148 -132.756 -27.9809 -37.3063 -27.9825 -325.451 GPRESSURE: 4752400 -119.872 347.672 6.33292 240.408 -186.479 33.3174 -70.5705 -38.2359 -292.64 PRESSAVG: 4752400 30.6524 -7.8896 58.5397 -7.88958 -39.5261 65.3432 58.5398 65.3433 -21.9637 GPRESSAVG: 4752400 32.0513 -8.29706 58.4367 -6.00966 -39.3354 68.7703 60.3668 63.276 -23.6217 TIMING: 4752400 CPU: 15071.9, 0.00319715/step Wall: 15071.9, 0.00319715/step, 0.219893 hours remaining, 242.148438 MB of memory in use. ENERGY: 4752400 4092.4826 20488.1585 14428.1301 241.7421 -203201.2560 2591.8301 0.0000 0.0000 51997.9343 -109360.9783 298.8328 -161358.9126 -109002.1509 299.2474 -217.7664 -199.6638 762134.4304 -10.2791 -10.3019 PRESSURE: 4752600 -226.569 -14.1156 158.896 -14.1162 -380.288 258.046 158.897 258.046 -73.5243 GPRESSURE: 4752600 -242.973 34.1758 204.635 -10.5595 -270.976 255.07 169.895 181.117 -88.1652 PRESSAVG: 4752600 50.6418 -60.3302 20.8335 -60.3301 -27.4033 -42.3206 20.8335 -42.3206 -17.1931 GPRESSAVG: 4752600 50.417 -60.3258 21.9981 -59.1133 -27.1818 -43.6373 19.0613 -41.679 -17.468 TIMING: 4752600 CPU: 15072.5, 0.0031407/step Wall: 15072.5, 0.0031407/step, 0.215836 hours remaining, 242.218750 MB of memory in use. ENERGY: 4752600 4062.9379 20487.2195 14489.0080 236.1864 -203045.6508 2300.7003 0.0000 0.0000 52058.5632 -109411.0355 299.1813 -161469.5987 -109065.6535 299.3554 -226.7936 -200.7050 761460.5074 2.0151 1.9224 PRESSURE: 4752800 71.205 -110.91 -153.584 -110.909 -114.073 -161.97 -153.585 -161.969 214.209 GPRESSURE: 4752800 99.8553 -118.938 -165.686 -75.4067 -38.3645 -225.315 6.42932 -177.741 184.76 PRESSAVG: 4752800 -29.1413 -27.7346 -45.8525 -27.7346 26.9662 16.6586 -45.8526 16.6587 12.7837 GPRESSAVG: 4752800 -30.0196 -28.1269 -46.5794 -28.1064 26.873 14.868 -46.1127 16.8649 13.5228 TIMING: 4752800 CPU: 15073.2, 0.00314583/step Wall: 15073.2, 0.00314583/step, 0.216014 hours remaining, 242.218750 MB of memory in use. ENERGY: 4752800 3973.7586 20621.4895 14460.6896 255.6479 -203106.6425 2451.1543 0.0000 0.0000 51992.8994 -109351.0032 298.8039 -161343.9026 -108984.1718 299.0067 57.1135 82.0835 761623.3516 3.5362 3.4587 PRESSURE: 4753000 64.1476 114.877 45.0835 114.876 -134.972 -3.26084 45.0836 -3.26103 215.776 GPRESSURE: 4753000 -18.1923 194.884 56.8092 -34.7764 8.08316 62.1049 -11.7823 95.524 229.343 PRESSAVG: 4753000 0.347698 8.28767 -33.9755 8.28766 -18.4656 -31.9847 -33.9756 -31.9848 -4.82011 GPRESSAVG: 4753000 -0.641566 7.91931 -33.8683 7.79878 -17.8528 -30.7013 -32.6634 -32.0855 -4.77073 TIMING: 4753000 CPU: 15073.8, 0.00312056/step Wall: 15073.8, 0.00312056/step, 0.214105 hours remaining, 242.218750 MB of memory in use. ENERGY: 4753000 4071.9978 20497.1006 14417.1895 252.3436 -203630.1168 2392.5576 0.0000 0.0000 52334.8453 -109664.0824 300.7691 -161998.9277 -109317.4135 298.9228 48.3175 73.0780 760868.6488 -7.6460 -7.7550 PRESSURE: 4753200 -45.804 -226.698 52.2512 -226.699 -206.957 -32.7505 52.2514 -32.7504 -310.434 GPRESSURE: 4753200 -93.0345 -260.094 61.6072 -254.764 -54.911 -52.0482 45.631 -99.3593 -320.956 PRESSAVG: 4753200 0.269609 -32.7146 -1.58522 -32.7145 19.9077 -35.3591 -1.58523 -35.359 -3.62676 GPRESSAVG: 4753200 1.64848 -33.6636 -0.296409 -31.9128 18.9829 -35.059 -1.73847 -34.8345 -4.18163 TIMING: 4753200 CPU: 15074.4, 0.00312372/step Wall: 15074.4, 0.00312372/step, 0.214148 hours remaining, 242.218750 MB of memory in use. ENERGY: 4753200 3983.9325 20424.0032 14459.1811 259.8220 -203490.1664 2511.0919 0.0000 0.0000 52174.8006 -109677.3352 299.8493 -161852.1358 -109314.7027 298.8347 -187.7318 -156.3006 763401.1724 5.5169 5.4833 PRESSURE: 4753400 -65.0247 -120.072 138.018 -120.073 -195.914 -91.2573 138.018 -91.2587 -226.721 GPRESSURE: 4753400 5.53987 -46.5279 46.7453 -86.6066 -170.623 -147.043 129.758 -59.8704 -222.093 PRESSAVG: 4753400 -2.96378 -19.6317 -22.4109 -19.6317 -21.1147 -45.2778 -22.4109 -45.2777 -24.2789 GPRESSAVG: 4753400 -3.81423 -16.1607 -24.7646 -20.0543 -21.4058 -46.9419 -22.4575 -46.8136 -23.3936 TIMING: 4753400 CPU: 15075, 0.00310848/step Wall: 15075, 0.00310848/step, 0.212931 hours remaining, 242.218750 MB of memory in use. ENERGY: 4753400 3900.1654 20551.6325 14383.4547 267.8871 -203441.4656 2424.8734 0.0000 0.0000 52126.4617 -109786.9909 299.5715 -161913.4526 -109419.1776 298.8877 -162.5533 -129.0588 760973.5555 -16.1191 -16.2045 PRESSURE: 4753600 -104.04 212.037 -151.501 212.038 62.1928 -218.564 -151.502 -218.564 193.947 GPRESSURE: 4753600 19.6827 153.327 -223.109 84.2244 133.023 -257.567 -27.2238 -151.051 92.0269 PRESSAVG: 4753600 54.677 -44.669 -33.6181 -44.669 -40.5748 -2.14804 -33.6181 -2.14809 26.3897 GPRESSAVG: 4753600 54.7647 -46.4157 -31.2701 -44.4474 -39.2346 -0.879609 -34.6143 -0.303583 25.3594 TIMING: 4753600 CPU: 15075.7, 0.00311038/step Wall: 15075.7, 0.00311038/step, 0.212888 hours remaining, 242.218750 MB of memory in use. ENERGY: 4753600 3952.6586 20582.9190 14477.8295 261.0651 -203573.1507 2893.8813 0.0000 0.0000 51856.2312 -109548.5660 298.0185 -161404.7972 -109187.2874 299.2179 50.6996 81.5777 762598.6420 13.4973 13.6298 PRESSURE: 4753800 -41.6699 8.64389 132.277 8.64473 233.916 -107.853 132.277 -107.853 -36.9602 GPRESSURE: 4753800 47.1463 55.6363 265.184 -46.6703 174.2 -143.354 77.3481 -154.136 8.32767 PRESSAVG: 4753800 29.9166 -17.3146 -10.6705 -17.3146 -56.8805 -4.62817 -10.6705 -4.62816 8.58194 GPRESSAVG: 4753800 30.8795 -18.6798 -11.3773 -17.0394 -58.2187 -6.52406 -7.73159 -4.81192 8.67776 TIMING: 4753800 CPU: 15076.3, 0.00311926/step Wall: 15076.3, 0.00311926/step, 0.213323 hours remaining, 242.218750 MB of memory in use. ENERGY: 4753800 4020.6918 20543.3413 14498.7565 248.0520 -203304.4639 2351.3764 0.0000 0.0000 52139.2786 -109502.9674 299.6452 -161642.2459 -109140.0429 299.7250 51.7621 76.5581 760175.4268 -6.1273 -6.2205 PRESSURE: 4754000 -79.4205 172.392 127.332 172.391 -59.8008 -126.712 127.332 -126.713 -79.2571 GPRESSURE: 4754000 -33.1967 107.541 57.9979 90.6878 -47.5985 -125.124 12.1347 -126.169 -68.6144 PRESSAVG: 4754000 39.0875 5.43417 9.74969 5.43414 -19.1815 -6.53368 9.74965 -6.53375 -2.03188 GPRESSAVG: 4754000 38.9381 5.82582 9.20874 4.36684 -20.5665 -3.14168 9.11856 -7.00679 -1.22961 TIMING: 4754000 CPU: 15076.9, 0.00313658/step Wall: 15076.9, 0.00313658/step, 0.214333 hours remaining, 242.218750 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: 4754000 3942.7896 20549.7357 14475.4157 250.6026 -203420.7547 2692.3216 0.0000 0.0000 52304.6985 -109205.1909 300.5958 -161509.8894 -108845.7239 300.2123 -72.8261 -49.8032 761857.9030 5.9580 5.7140 PRESSURE: 4754200 461.336 -202.33 -104.502 -202.331 222.728 226.161 -104.504 226.161 160.325 GPRESSURE: 4754200 421.371 -152.429 -87.5646 -237.511 351.893 193.882 -103.18 163.598 177.388 PRESSAVG: 4754200 0.152285 8.0931 -2.58684 8.09309 -30.7781 20.2042 -2.58684 20.2041 -0.112375 GPRESSAVG: 4754200 1.23821 8.72331 -1.57283 8.05505 -30.3583 19.7159 -6.00606 16.5276 -0.902287 TIMING: 4754200 CPU: 15077.5, 0.00312846/step Wall: 15077.5, 0.00312846/step, 0.213605 hours remaining, 242.218750 MB of memory in use. ENERGY: 4754200 3953.1343 20474.0360 14437.6272 247.9661 -203731.3759 3051.6616 0.0000 0.0000 52272.9598 -109293.9910 300.4134 -161566.9507 -108933.6073 299.9921 281.4630 316.8841 761456.7374 -10.2461 -10.0075 PRESSURE: 4754400 -79.1727 -88.6355 7.14603 -88.6352 17.6377 56.3496 7.14576 56.3487 -267.458 GPRESSURE: 4754400 -87.1703 -158.214 10.1517 10.2344 64.0857 -0.426643 12.2167 135.466 -228.855 PRESSAVG: 4754400 -23.2935 -17.1275 -2.74005 -17.1275 24.955 26.5063 -2.74012 26.5062 26.5986 GPRESSAVG: 4754400 -25.6464 -18.1993 -2.21709 -14.9841 25.6982 25.6007 -0.0907759 29.006 28.3123 TIMING: 4754400 CPU: 15078.2, 0.00313215/step Wall: 15078.2, 0.00313215/step, 0.213682 hours remaining, 242.218750 MB of memory in use. ENERGY: 4754400 4076.9689 20503.0749 14449.8554 239.6750 -203194.2943 2485.9749 0.0000 0.0000 52133.8389 -109304.9063 299.6139 -161438.7453 -108944.1380 300.5528 -109.6642 -83.9800 762337.8623 9.4200 9.4547 PRESSURE: 4754600 -270.396 -8.13428 67.367 -8.13476 -51.7902 -114.38 67.3664 -114.379 -549.581 GPRESSURE: 4754600 -99.8561 -60.6251 -28.2889 24.5196 -189.659 -63.0938 163.441 -62.9952 -480.374 PRESSAVG: 4754600 0.61822 18.9277 80.5938 18.9276 26.9975 -29.344 80.5938 -29.344 -11.9889 GPRESSAVG: 4754600 0.972052 18.8816 79.1762 17.0083 27.3875 -28.6216 79.5092 -29.4067 -13.0761 TIMING: 4754600 CPU: 15078.8, 0.00313377/step Wall: 15078.8, 0.00313377/step, 0.213618 hours remaining, 242.218750 MB of memory in use. ENERGY: 4754600 4049.3740 20418.4481 14549.1696 237.9486 -203220.8781 2457.1597 0.0000 0.0000 52100.6636 -109408.1145 299.4232 -161508.7781 -109043.1891 299.5461 -290.5890 -256.6297 761953.6740 5.2090 5.0945 PRESSURE: 4754800 -116.376 -61.3245 266.411 -61.3246 -122.26 -152.336 266.411 -152.335 -37.5766 GPRESSURE: 4754800 -50.5759 -78.4184 299.577 -13.1198 -115.874 -179.633 247.356 -193.439 -30.9151 PRESSAVG: 4754800 -13.1846 17.5199 -18.0993 17.5199 -6.26306 9.65147 -18.0993 9.65154 -4.15973 GPRESSAVG: 4754800 -12.2858 19.6763 -17.9524 18.7127 -6.95308 9.36486 -18.5902 11.1641 -4.31672 TIMING: 4754800 CPU: 15079.4, 0.00312898/step Wall: 15079.4, 0.00312898/step, 0.213118 hours remaining, 242.218750 MB of memory in use. ENERGY: 4754800 3985.9701 20556.4241 14467.6486 251.0591 -203379.0938 2410.3314 0.0000 0.0000 52322.9755 -109384.6849 300.7009 -161707.6605 -109032.9428 299.9921 -92.0707 -65.7882 760612.1063 -7.8691 -7.8519 PRESSURE: 4755000 469.052 131.115 -57.254 131.115 28.3634 12.4617 -57.2533 12.4621 206.21 GPRESSURE: 4755000 453.144 73.1926 -105.456 75.3723 169.635 -4.43743 41.7322 -105.435 153.438 PRESSAVG: 4755000 28.0752 -17.9295 -29.6498 -17.9295 -33.9216 -23.3954 -29.6498 -23.3953 23.1455 GPRESSAVG: 4755000 28.5684 -18.8484 -28.1461 -19.3663 -33.4784 -23.1889 -30.9272 -24.4627 21.9125 TIMING: 4755000 CPU: 15080, 0.00311536/step Wall: 15080, 0.00311536/step, 0.212018 hours remaining, 242.218750 MB of memory in use. ENERGY: 4755000 3963.8917 20406.8832 14446.4091 251.8543 -203593.8021 2759.2381 0.0000 0.0000 52420.4662 -109345.0595 301.2611 -161765.5256 -108973.1864 299.7401 234.5416 258.7389 760231.0066 5.7664 5.6675 PRESSURE: 4755200 -230.638 -101.33 -47.3757 -101.33 -137.233 59.401 -47.3756 59.4012 393.101 GPRESSURE: 4755200 -173.567 -124.289 -64.1643 27.5561 -36.2333 43.3802 -51.2844 210.381 315.712 PRESSAVG: 4755200 -25.5969 -35.9295 -41.5594 -35.9294 16.0354 5.7676 -41.5595 5.76756 -19.4776 GPRESSAVG: 4755200 -26.5563 -36.3764 -43.031 -34.8513 15.9654 5.5471 -39.5526 6.38168 -18.2258 TIMING: 4755200 CPU: 15080.7, 0.00311701/step Wall: 15080.7, 0.00311701/step, 0.211956 hours remaining, 242.218750 MB of memory in use. ENERGY: 4755200 3974.1959 20602.3578 14480.6874 245.6759 -202928.6745 2416.3828 0.0000 0.0000 51863.3568 -109346.0179 298.0594 -161209.3747 -108989.3332 299.7455 8.4102 35.3039 761393.2411 -9.6797 -9.6056 PRESSURE: 4755400 -289.42 77.2476 99.6417 77.2473 -65.7959 -67.1426 99.6417 -67.1432 -117.439 GPRESSURE: 4755400 -196.831 61.3757 137.084 81.3421 -41.917 -77.1409 2.3999 -70.1912 -150.036 PRESSAVG: 4755400 7.31435 -13.5382 2.52681 -13.5382 8.04167 -55.6792 2.52684 -55.6792 -9.50494 GPRESSAVG: 4755400 7.80336 -13.8289 2.40967 -13.4473 8.4472 -57.1731 2.68684 -55.0786 -9.57665 TIMING: 4755400 CPU: 15081.3, 0.00312981/step Wall: 15081.3, 0.00312981/step, 0.212653 hours remaining, 242.218750 MB of memory in use. ENERGY: 4755400 4042.7375 20360.8585 14523.3697 245.4220 -203129.1834 2500.5223 0.0000 0.0000 52139.0651 -109317.2082 299.6439 -161456.2733 -108969.6469 299.2635 -157.5515 -129.5948 760988.0784 1.9504 2.2246 PRESSURE: 4755600 82.3338 28.041 -245.922 28.0414 -201.219 -33.5124 -245.922 -33.5118 -390.737 GPRESSURE: 4755600 68.0278 104.368 -298.441 114.693 -167.138 -131.503 -306.413 -98.0631 -326.995 PRESSAVG: 4755600 48.5803 -4.87742 -11.7175 -4.87743 -38.8041 6.6881 -11.7175 6.68804 11.9906 GPRESSAVG: 4755600 48.8075 -5.32297 -10.9364 -5.4072 -39.7368 5.38942 -14.5809 5.18518 12.4104 TIMING: 4755600 CPU: 15081.9, 0.00314014/step Wall: 15081.9, 0.00314014/step, 0.213181 hours remaining, 242.218750 MB of memory in use. ENERGY: 4755600 4012.8656 20496.1094 14485.3140 244.5662 -203191.0112 2609.3670 0.0000 0.0000 51948.7055 -109394.0835 298.5499 -161342.7890 -109035.4761 299.1836 -169.8741 -142.0350 761725.3232 7.2556 7.1604 PRESSURE: 4755800 -213.02 -83.9179 72.6743 -83.9173 -201.46 -35.2463 72.6747 -35.246 -112.601 GPRESSURE: 4755800 -153.329 -117.019 0.440151 -146.754 -110.185 -109.82 70.2843 71.5557 -191.499 PRESSAVG: 4755800 109.885 -15.0988 -52.4257 -15.0988 -112.756 -89.2018 -52.4257 -89.2019 1.58176 GPRESSAVG: 4755800 108.6 -15.2769 -53.0861 -15.3752 -111.135 -86.9273 -49.5746 -89.7548 1.02852 TIMING: 4755800 CPU: 15082.5, 0.00313879/step Wall: 15082.5, 0.00313879/step, 0.212915 hours remaining, 242.218750 MB of memory in use. ENERGY: 4755800 4045.0711 20410.5090 14445.2496 253.0695 -203158.7939 2569.0562 0.0000 0.0000 52049.1457 -109386.6928 299.1272 -161435.8385 -109034.8307 299.3373 -175.6937 -151.6710 760875.2035 -0.4295 -0.5022 PRESSURE: 4756000 -259.498 24.6722 55.9382 24.6716 83.8664 3.87591 55.9393 3.87511 -474.749 GPRESSURE: 4756000 -136.374 -25.2889 46.7408 -22.9968 -5.916 -86.0398 108.943 11.1213 -441.087 PRESSAVG: 4756000 86.6356 2.54061 -6.0923 2.54055 -67.7957 28.3654 -6.09228 28.3653 10.0379 GPRESSAVG: 4756000 87.7162 3.28163 -6.34441 0.72493 -68.1311 26.4435 -5.5653 30.4492 8.94095 TIMING: 4756000 CPU: 15083.2, 0.00313062/step Wall: 15083.2, 0.00313062/step, 0.212187 hours remaining, 242.218750 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: 4756000 4069.3596 20440.1934 14356.7928 250.8717 -203337.1500 2388.2068 0.0000 0.0000 52184.3196 -109647.4062 299.9040 -161831.7258 -109290.8661 299.3919 -216.7932 -194.4588 760569.7465 9.6260 9.5087 PRESSURE: 4756200 377.933 -209.719 126.58 -209.718 288.076 -274.491 126.58 -274.49 5.24194 GPRESSURE: 4756200 463.935 -274.988 67.9687 -248.074 345.257 -255.108 -20.8443 -310.114 -70.1954 PRESSAVG: 4756200 99.1099 -2.15689 20.4779 -2.15686 -73.3493 -27.9191 20.4779 -27.9191 1.45314 GPRESSAVG: 4756200 98.8462 -4.79201 20.2233 0.720669 -72.5549 -25.8859 20.1559 -31.0823 1.27687 TIMING: 4756200 CPU: 15083.8, 0.00313184/step Wall: 15083.8, 0.00313184/step, 0.212095 hours remaining, 242.218750 MB of memory in use. ENERGY: 4756200 3983.6695 20478.8642 14420.1469 241.3556 -203512.0401 2753.5095 0.0000 0.0000 52093.8534 -109540.6410 299.3841 -161634.4944 -109182.3431 299.5328 223.7505 246.3325 760326.6138 9.0712 9.1894 LDB: ============= START OF LOAD BALANCING ============== 15096.2 LDB: ============== END OF LOAD BALANCING =============== 15096.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15096.2 LDB: ============= START OF LOAD BALANCING ============== 15096.6 LDB: Largest compute 7069 load 0.035029 is 17.9% of average load 0.195588 LDB: Average compute 0.004386 is 2.2% of average load 0.195588 LDB: TIME 15096.6 LOAD: AVG 0.195588 MAX 0.218895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.637 MB LDB: TIME 15096.6 LOAD: AVG 0.195588 MAX 0.218895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: TIME 15096.6 LOAD: AVG 0.195588 MAX 0.216182 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.637 MB LDB: ============== END OF LOAD BALANCING =============== 15096.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15096.6 PRESSURE: 4756400 -21.8722 -90.8189 63.1397 -90.8194 -130.395 -213.277 63.1391 -213.277 -26.2261 GPRESSURE: 4756400 -46.6886 -141.582 27.1626 -125.429 -66.9574 -220.215 -72.1068 -257.045 8.36118 PRESSAVG: 4756400 -22.8513 -78.2033 -33.3723 -78.2033 -10.3639 -19.1037 -33.3723 -19.1037 5.9809 GPRESSAVG: 4756400 -23.2226 -76.9897 -33.5583 -77.8308 -10.739 -18.9994 -35.2511 -16.9989 6.99742 TIMING: 4756400 CPU: 15084.4, 0.00319128/step Wall: 15084.4, 0.00319128/step, 0.215944 hours remaining, 240.667969 MB of memory in use. ENERGY: 4756400 4015.4190 20402.9151 14328.6731 235.2603 -203478.1449 2633.6494 0.0000 0.0000 52225.7485 -109636.4796 300.1421 -161862.2281 -109265.8908 299.5199 -59.4976 -35.0950 760490.6636 -9.0781 -8.9881 PRESSURE: 4756600 -13.9064 -15.2367 76.0477 -15.2365 28.423 -225.872 76.0475 -225.873 -158.511 GPRESSURE: 4756600 64.9597 10.9373 97.8304 -26.9753 73.3089 -192.846 39.4737 -74.621 -186.217 PRESSAVG: 4756600 21.6301 31.1732 22.0444 31.1733 42.0494 -51.2161 22.0444 -51.2162 15.0279 GPRESSAVG: 4756600 22.5307 31.9421 23.4277 30.1889 40.5948 -51.0613 23.5186 -49.8855 15.8122 TIMING: 4756600 CPU: 15085.1, 0.00311951/step Wall: 15085.1, 0.00311951/step, 0.210914 hours remaining, 240.738281 MB of memory in use. ENERGY: 4756600 3993.6133 20519.6679 14478.9498 233.8400 -203483.4594 2576.9789 0.0000 0.0000 51975.6498 -109704.7596 298.7048 -161680.4094 -109339.4948 299.2700 -47.9980 -15.9827 759368.1292 26.2358 26.3125 PRESSURE: 4756800 -86.8896 42.4879 -178.78 42.4876 -146.148 -88.2864 -178.779 -88.2871 -201.969 GPRESSURE: 4756800 -110.57 20.0945 -281.251 -39.804 -124.964 -67.917 -166.592 -87.9685 -131.26 PRESSAVG: 4756800 -20.3258 -6.88642 31.6546 -6.88643 47.1444 15.9532 31.6546 15.9532 3.02873 GPRESSAVG: 4756800 -20.2723 -7.97751 32.825 -6.53316 48.2536 14.0214 29.5218 15.3857 1.80853 TIMING: 4756800 CPU: 15085.7, 0.00313734/step Wall: 15085.7, 0.00313734/step, 0.211944 hours remaining, 240.738281 MB of memory in use. ENERGY: 4756800 3906.5664 20569.3889 14454.9712 234.3068 -203125.6180 2390.7929 0.0000 0.0000 51927.8415 -109641.7503 298.4300 -161569.5918 -109261.9785 299.3559 -145.0022 -122.2648 760961.9947 9.9491 9.9299 PRESSURE: 4757000 100.592 57.2004 95.0876 57.2007 8.75603 -31.9221 95.0873 -31.9221 169.184 GPRESSURE: 4757000 181.333 49.7969 82.5602 -30.3341 71.2488 -88.293 116.396 137.509 120.076 PRESSAVG: 4757000 8.99069 -50.2122 16.2212 -50.2123 27.1473 0.0421894 16.2212 0.0422778 -1.37531 GPRESSAVG: 4757000 7.84432 -50.1527 14.3106 -49.811 27.0969 -0.0413778 19.5786 -1.77317 -0.469756 TIMING: 4757000 CPU: 15086.3, 0.00314076/step Wall: 15086.3, 0.00314076/step, 0.212001 hours remaining, 240.738281 MB of memory in use. ENERGY: 4757000 3916.3403 20591.0906 14467.3024 247.5664 -203751.9090 2771.8503 0.0000 0.0000 52297.1515 -109460.6075 300.5524 -161757.7590 -109094.0829 298.9745 92.8439 124.2193 760367.7642 11.5875 11.4905 PRESSURE: 4757200 -53.9333 -152.338 128.745 -152.339 -468.672 47.6296 128.746 47.6298 -83.3627 GPRESSURE: 4757200 -28.2714 -177.065 146.107 -27.5753 -350.309 53.0761 127.557 -25.5072 -146.797 PRESSAVG: 4757200 -31.7811 -20.3973 13.8274 -20.3973 26.9399 18.7838 13.8274 18.7837 -5.68354 GPRESSAVG: 4757200 -32.02 -18.7206 15.2294 -21.3913 27.0907 19.1174 12.6731 19.5519 -6.05316 TIMING: 4757200 CPU: 15086.9, 0.00314034/step Wall: 15086.9, 0.00314033/step, 0.211798 hours remaining, 240.738281 MB of memory in use. ENERGY: 4757200 4020.2060 20548.9274 14416.0667 259.1020 -203124.9600 2311.6944 0.0000 0.0000 52053.6382 -109515.3254 299.1530 -161568.9636 -109146.6455 299.3264 -201.9892 -175.1259 759720.7166 -3.5082 -3.6608 PRESSURE: 4757400 -213.805 79.4079 -98.6437 79.4082 -143.021 -111.923 -98.6434 -111.925 -182.138 GPRESSURE: 4757400 -258.044 -17.9444 -5.23175 48.7679 -48.0889 -76.866 -119.405 -71.673 -145.165 PRESSAVG: 4757400 36.7175 -22.4587 22.2344 -22.4586 -28.154 -33.0152 22.2343 -33.0152 -36.5246 GPRESSAVG: 4757400 37.1936 -24.6239 20.2592 -21.0289 -28.059 -34.7334 21.0846 -31.5934 -37.1138 TIMING: 4757400 CPU: 15087.6, 0.00312548/step Wall: 15087.6, 0.00312548/step, 0.210623 hours remaining, 240.738281 MB of memory in use. ENERGY: 4757400 4032.5688 20581.9244 14420.2373 240.8235 -203194.1030 2433.0750 0.0000 0.0000 52116.6128 -109368.8611 299.5149 -161485.4739 -108997.9211 299.0886 -179.6545 -150.4327 761242.5608 -9.3203 -9.3264 PRESSURE: 4757600 159.692 -101.369 22.9983 -101.369 -358.196 -151.746 22.9982 -151.746 -229.974 GPRESSURE: 4757600 115.771 -104.202 5.70229 -57.7061 -239.506 -105.173 -30.7034 -182.693 -229.659 PRESSAVG: 4757600 2.21024 -5.1907 33.5805 -5.19075 -12.3049 -33.3208 33.5806 -33.3209 -16.4313 GPRESSAVG: 4757600 1.29974 -3.08996 35.1696 -6.27418 -12.1382 -31.1559 34.2233 -35.1636 -15.6932 TIMING: 4757600 CPU: 15088.2, 0.0031439/step Wall: 15088.2, 0.0031439/step, 0.211689 hours remaining, 240.738281 MB of memory in use. ENERGY: 4757600 3985.9833 20390.8302 14464.2033 247.7158 -202986.7458 2305.6927 0.0000 0.0000 52084.9968 -109507.3237 299.3332 -161592.3206 -109138.7015 299.2018 -142.8259 -117.7979 760397.0832 -8.8420 -8.8439 PRESSURE: 4757800 -98.9445 67.4568 -8.11248 67.4561 -34.8732 -202.783 -8.11309 -202.783 330.657 GPRESSURE: 4757800 -8.04707 105.809 -38.7454 126.365 5.7103 -149.59 -7.92643 -184.424 306.063 PRESSAVG: 4757800 -12.3855 -56.9979 -7.54987 -56.9978 -0.214068 -21.0119 -7.54989 -21.0119 0.807438 GPRESSAVG: 4757800 -11.959 -57.9173 -8.24934 -56.9693 0.100167 -20.6582 -8.42744 -21.6603 0.341013 TIMING: 4757800 CPU: 15088.8, 0.00313283/step Wall: 15088.8, 0.00313283/step, 0.21077 hours remaining, 240.738281 MB of memory in use. ENERGY: 4757800 3925.7329 20543.8390 14452.0317 248.9019 -203504.2705 2695.7647 0.0000 0.0000 52085.3401 -109552.6602 299.3352 -161638.0003 -109176.4510 299.0481 65.6131 101.2422 761198.6237 -3.9307 -3.8393 PRESSURE: 4758000 -100.827 127.677 82.7475 127.677 -114.231 -80.0006 82.748 -80.0006 -60.7485 GPRESSURE: 4758000 -84.4208 20.7044 78.0478 213.553 -44.4348 -42.0937 189.508 22.7526 -56.7038 PRESSAVG: 4758000 6.77963 -20.0727 -49.4835 -20.0728 -31.2173 -4.94159 -49.4834 -4.94147 15.2075 GPRESSAVG: 4758000 7.95896 -19.4767 -49.2419 -20.966 -33.9961 -6.30614 -46.9443 -3.51318 16.3139 TIMING: 4758000 CPU: 15089.4, 0.00314211/step Wall: 15089.4, 0.00314211/step, 0.21122 hours remaining, 240.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 3926.7396 20812.0174 14491.8568 243.4812 -203492.8612 2556.3819 0.0000 0.0000 51912.4001 -109549.9841 298.3413 -161462.3842 -109185.1067 299.3978 -91.9356 -61.8531 762407.1128 -3.0767 -3.2411 PRESSURE: 4758200 55.7926 -94.8441 219.477 -94.8446 29.343 -122.501 219.476 -122.502 -76.473 GPRESSURE: 4758200 99.0213 -27.6878 233.676 -231.617 18.8666 -131.015 105.888 -58.2493 -35.2618 PRESSAVG: 4758200 22.2205 -29.2636 21.3734 -29.2636 -19.5316 17.3817 21.3734 17.3818 -29.7674 GPRESSAVG: 4758200 21.2781 -30.9484 22.2155 -29.382 -18.5177 17.9526 20.2279 17.077 -30.3322 TIMING: 4758200 CPU: 15090.1, 0.00314547/step Wall: 15090.1, 0.00314547/step, 0.211271 hours remaining, 240.738281 MB of memory in use. ENERGY: 4758200 3983.4038 20625.6520 14482.3413 249.7521 -203751.7449 2568.7693 0.0000 0.0000 52308.0531 -109533.7733 300.6151 -161841.8264 -109166.9103 299.6581 2.8876 27.5420 759503.9435 -9.0262 -9.1906 PRESSURE: 4758400 -215.121 242.723 -117.635 242.723 -58.9077 35.9444 -117.635 35.9453 547.707 GPRESSURE: 4758400 -45.1493 96.0641 -209.357 218.599 -137.318 26.1257 -89.9441 31.35 533.605 PRESSAVG: 4758400 69.3455 -15.3156 10.7359 -15.3156 -97.245 26.3876 10.7358 26.3876 5.43501 GPRESSAVG: 4758400 69.1523 -12.2363 9.30538 -15.6357 -96.6019 25.7212 10.0626 23.8647 5.19735 TIMING: 4758400 CPU: 15090.7, 0.0031522/step Wall: 15090.7, 0.0031522/step, 0.211548 hours remaining, 240.738281 MB of memory in use. ENERGY: 4758400 3967.6424 20434.3314 14568.7257 238.1831 -203397.3137 2386.2024 0.0000 0.0000 52102.3809 -109699.8479 299.4331 -161802.2288 -109334.9457 299.5229 91.2262 117.0458 760010.2718 -7.4882 -7.4174 PRESSURE: 4758600 -108.972 3.78636 57.2187 3.78583 -33.0689 -25.9593 57.2188 -25.9584 -132.06 GPRESSURE: 4758600 -9.74934 41.342 44.3469 -25.4569 30.469 -17.95 146.734 -29.2845 -201.732 PRESSAVG: 4758600 18.6768 20.4094 35.7273 20.4094 -65.8606 45.2151 35.7273 45.2151 -7.9242 GPRESSAVG: 4758600 19.2866 17.4099 36.1479 20.7887 -65.7079 45.0626 36.397 48.9757 -7.89688 TIMING: 4758600 CPU: 15091.3, 0.00315142/step Wall: 15091.3, 0.00315142/step, 0.21132 hours remaining, 240.738281 MB of memory in use. ENERGY: 4758600 3978.9916 20578.6501 14426.5048 252.7565 -203932.9408 2697.7313 0.0000 0.0000 52139.5951 -109858.7115 299.6470 -161998.3066 -109497.2632 299.2586 -91.3672 -60.3375 761256.1441 -18.3693 -18.1060 PRESSURE: 4758800 -208.984 -35.0269 138.368 -35.0281 -265.65 -14.9508 138.368 -14.9512 -159.707 GPRESSURE: 4758800 -187.515 -48.1706 190.075 -24.7292 -276.504 -17.8076 -41.0621 -51.4992 -106.777 PRESSAVG: 4758800 74.2368 17.7825 -4.49447 17.7824 -87.287 -27.6126 -4.49446 -27.6126 28.3274 GPRESSAVG: 4758800 73.6388 17.6127 -3.53892 19.4892 -87.8517 -26.5211 -5.36146 -29.8303 28.6655 TIMING: 4758800 CPU: 15092, 0.00312895/step Wall: 15092, 0.00312894/step, 0.209639 hours remaining, 240.738281 MB of memory in use. ENERGY: 4758800 3985.9295 20308.3856 14508.0254 253.3444 -203638.9632 2502.9508 0.0000 0.0000 52145.8498 -109934.4776 299.6829 -162080.3274 -109569.3683 298.9316 -211.4474 -190.2652 761608.9923 5.0924 4.8175 PRESSURE: 4759000 -8.03108 -3.65957 -25.078 -3.65918 17.4751 -145.026 -25.078 -145.027 166.479 GPRESSURE: 4759000 92.0534 -45.328 -30.6885 -65.0029 3.58029 -71.086 -145.036 -214.353 167.28 PRESSAVG: 4759000 25.5791 27.7963 31.939 27.7963 -22.0118 -20.124 31.939 -20.1239 6.42008 GPRESSAVG: 4759000 26.3708 27.2918 32.0014 26.5022 -23.5807 -19.0449 30.5859 -21.2067 7.01163 TIMING: 4759000 CPU: 15092.6, 0.00313829/step Wall: 15092.6, 0.00313829/step, 0.210091 hours remaining, 240.738281 MB of memory in use. ENERGY: 4759000 3921.2561 20465.6529 14492.7177 224.8080 -203767.2250 2691.2528 0.0000 0.0000 52009.6456 -109961.8919 298.9001 -161971.5375 -109595.7584 298.3172 58.6409 87.6378 760749.5708 3.3291 3.2672 PRESSURE: 4759200 -159.878 -109.901 -107.233 -109.901 25.4489 -10.6251 -107.234 -10.6248 -387.309 GPRESSURE: 4759200 -160.526 -97.1745 -164.533 -139.991 98.8004 70.357 14.6429 82.9881 -375.55 PRESSAVG: 4759200 -24.9692 -26.0466 88.5784 -26.0466 24.2543 -19.4326 88.5785 -19.4326 18.6458 GPRESSAVG: 4759200 -26.13 -25.0617 88.6971 -25.1103 24.3969 -21.2569 89.3436 -18.0511 19.7672 TIMING: 4759200 CPU: 15093.2, 0.00314672/step Wall: 15093.2, 0.00314672/step, 0.21048 hours remaining, 240.738281 MB of memory in use. ENERGY: 4759200 4030.8898 20557.3163 14421.0801 258.2306 -203581.9447 2567.0300 0.0000 0.0000 51922.7310 -109824.6669 298.4006 -161747.3980 -109463.9950 298.4069 -173.9124 -145.7587 759632.9550 5.9770 6.0114 PRESSURE: 4759400 23.7351 -88.2041 116.577 -88.203 -231.319 -5.79318 116.577 -5.79416 -361.908 GPRESSURE: 4759400 99.3205 -129.404 78.8651 -11.1453 -278.083 -11.4369 43.4529 70.167 -315.644 PRESSAVG: 4759400 19.6896 -40.4433 7.01698 -40.4433 -1.3969 -18.0557 7.01703 -18.0558 -7.45858 GPRESSAVG: 4759400 20.518 -40.1503 7.57293 -41.5963 -0.982179 -16.8138 7.90836 -17.535 -8.91912 TIMING: 4759400 CPU: 15093.8, 0.00314693/step Wall: 15093.8, 0.00314693/step, 0.21032 hours remaining, 240.738281 MB of memory in use. ENERGY: 4759400 3995.6600 20428.5683 14490.0499 248.5471 -203290.4739 2246.7641 0.0000 0.0000 52163.6120 -109717.2726 299.7850 -161880.8846 -109356.5386 299.3122 -189.8306 -164.8021 760307.3772 3.6114 3.5389 PRESSURE: 4759600 -503.872 -9.01155 -46.9461 -9.01144 -262.16 -7.97198 -46.9463 -7.97253 -176.826 GPRESSURE: 4759600 -376.986 -99.266 -0.00235489 -84.3549 -315.35 10.0632 41.5392 -31.3717 -178.733 PRESSAVG: 4759600 19.2082 -36.1804 -17.5157 -36.1804 1.32048 12.2784 -17.5157 12.2784 -20.7248 GPRESSAVG: 4759600 19.6455 -35.0385 -18.4747 -36.6192 1.14236 12.4079 -17.4899 11.8577 -20.781 TIMING: 4759600 CPU: 15094.5, 0.00313094/step Wall: 15094.5, 0.00313094/step, 0.209077 hours remaining, 240.738281 MB of memory in use. ENERGY: 4759600 3918.7764 20641.7340 14502.5435 239.5087 -203191.4810 2392.7098 0.0000 0.0000 52104.8247 -109391.3839 299.4471 -161496.2087 -109022.5100 299.8787 -314.2859 -290.3564 761465.9695 -0.0654 0.0023 PRESSURE: 4759800 20.3355 -34.1259 -70.4763 -34.126 261.487 114.369 -70.476 114.368 -39.2755 GPRESSURE: 4759800 118.565 -63.6437 -115.806 36.5307 157.284 53.125 -142.993 190.104 38.736 PRESSAVG: 4759800 -76.5053 -16.4194 11.2387 -16.4195 16.0565 -17.1174 11.2387 -17.1175 -5.04882 GPRESSAVG: 4759800 -76.1616 -16.4548 11.0373 -16.9576 16.2795 -18.6334 9.74092 -17.514 -5.32789 TIMING: 4759800 CPU: 15095.1, 0.00313366/step Wall: 15095.1, 0.00313366/step, 0.209085 hours remaining, 240.738281 MB of memory in use. ENERGY: 4759800 4018.4819 20551.5798 14483.1893 227.0129 -203624.3612 2764.4235 0.0000 0.0000 52274.5977 -109305.0762 300.4228 -161579.6738 -108938.5000 299.6670 80.8489 104.8620 761161.1598 -21.8325 -21.7367 PRESSURE: 4760000 139.797 -157.191 218.243 -157.191 128.686 165.413 218.242 165.411 255.254 GPRESSURE: 4760000 76.7486 -96.3595 191.055 -191.711 279.464 164.808 269.356 81.9678 246.213 PRESSAVG: 4760000 9.55939 -47.9706 30.8956 -47.9706 -16.5363 38.3782 30.8956 38.3782 3.24728 GPRESSAVG: 4760000 9.65819 -48.4648 30.457 -45.9916 -16.9365 38.7783 32.6966 38.3905 4.01011 TIMING: 4760000 CPU: 15095.7, 0.00315058/step Wall: 15095.7, 0.00315058/step, 0.210039 hours remaining, 240.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4760000 3960.2902 20439.6192 14473.5775 232.4966 -203373.9117 2739.1231 0.0000 0.0000 52368.3601 -109160.4450 300.9617 -161528.8051 -108790.1030 300.0073 174.5792 200.8085 761996.5667 -1.2432 -1.0894 PRESSURE: 4760200 -141.874 -110.849 -52.5855 -110.849 -189.983 93.7118 -52.5854 93.7122 -193.762 GPRESSURE: 4760200 -22.91 -147.775 3.27996 -184.547 -197.308 146.869 -20.5589 78.1461 -211.726 PRESSAVG: 4760200 8.6569 -29.4229 21.5909 -29.423 -12.576 80.7746 21.5909 80.7747 0.336274 GPRESSAVG: 4760200 8.85425 -27.179 23.3549 -30.3208 -12.2564 80.7635 19.938 79.5351 -0.585351 TIMING: 4760200 CPU: 15096.4, 0.00316376/step Wall: 15096.4, 0.00316376/step, 0.210741 hours remaining, 240.738281 MB of memory in use. ENERGY: 4760200 4000.6174 20404.4652 14493.7288 265.2100 -203278.0654 2466.4663 0.0000 0.0000 52317.2007 -109330.3771 300.6677 -161647.5777 -108957.5546 299.7854 -175.2061 -143.9813 761201.4018 -1.1943 -1.3292 LDB: ============= START OF LOAD BALANCING ============== 15108.8 LDB: ============== END OF LOAD BALANCING =============== 15108.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15108.8 LDB: ============= START OF LOAD BALANCING ============== 15109.1 LDB: Largest compute 7068 load 0.034355 is 17.6% of average load 0.195580 LDB: Average compute 0.004371 is 2.2% of average load 0.195580 LDB: TIME 15109.1 LOAD: AVG 0.19558 MAX 0.216209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.719 MB LDB: TIME 15109.1 LOAD: AVG 0.19558 MAX 0.216209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: TIME 15109.1 LOAD: AVG 0.19558 MAX 0.216209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.922 MB LDB: ============== END OF LOAD BALANCING =============== 15109.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15109.1 PRESSURE: 4760400 276.43 109.72 -213.66 109.719 180.048 -193.127 -213.66 -193.126 -315.811 GPRESSURE: 4760400 226.046 102.158 -125.208 23.4072 235.364 -117.249 17.9098 -131.271 -233.046 PRESSAVG: 4760400 0.995309 -21.3111 -1.85389 -21.3111 -14.0144 -18.9012 -1.8539 -18.9012 -1.6971 GPRESSAVG: 4760400 0.945655 -22.5471 -1.44934 -22.8617 -14.0484 -18.4022 -0.154109 -17.8003 -1.29711 TIMING: 4760400 CPU: 15097, 0.00321093/step Wall: 15097, 0.00321093/step, 0.213705 hours remaining, 240.464844 MB of memory in use. ENERGY: 4760400 3971.2137 20441.8090 14528.6057 249.1517 -203331.9316 2672.9603 0.0000 0.0000 52188.4920 -109279.6991 299.9280 -161468.1911 -108918.9046 299.7778 46.8889 76.1213 762229.7971 -4.9054 -4.8000 PRESSURE: 4760600 235.51 -115.019 -191.152 -115.021 75.1336 199.07 -191.152 199.07 -413.372 GPRESSURE: 4760600 203.432 -23.8416 -207.448 -222.358 129.11 142.867 -161.638 127.827 -329.217 PRESSAVG: 4760600 -30.7108 11.0607 -46.4448 11.0607 40.8621 -56.5146 -46.4448 -56.5146 3.06628 GPRESSAVG: 4760600 -30.7437 9.80293 -48.0626 12.6935 41.4299 -56.2021 -44.7731 -58.8611 2.21295 TIMING: 4760600 CPU: 15097.6, 0.00314976/step Wall: 15097.6, 0.00314976/step, 0.209459 hours remaining, 240.667969 MB of memory in use. ENERGY: 4760600 3976.8266 20496.3926 14485.5460 249.4339 -203043.0467 2306.3353 0.0000 0.0000 52097.3800 -109431.1322 299.4044 -161528.5122 -109067.8622 300.0255 -34.2429 1.1085 761121.1458 4.4058 4.2997 PRESSURE: 4760800 132.894 -80.8739 54.8722 -80.8745 6.13968 -231.988 54.8706 -231.989 -249.648 GPRESSURE: 4760800 145.942 -142.115 29.4976 15.2188 11.2 -246.146 11.1854 -169.72 -210.032 PRESSAVG: 4760800 18.4824 -56.6774 25.0372 -56.6774 2.84026 6.31362 25.0372 6.31362 24.3776 GPRESSAVG: 4760800 18.7486 -56.006 26.4349 -57.1997 2.36563 5.52832 23.1105 8.621 24.5019 TIMING: 4760800 CPU: 15098.3, 0.00312966/step Wall: 15098.3, 0.00312966/step, 0.207948 hours remaining, 240.667969 MB of memory in use. ENERGY: 4760800 3927.6015 20536.2765 14515.7329 245.5252 -203437.0683 2466.1822 0.0000 0.0000 52293.4205 -109452.3295 300.5310 -161745.7500 -109092.0481 299.9650 -36.8714 -17.6300 761031.6448 15.2334 15.2054 PRESSURE: 4761000 94.8247 263.127 -44.2497 263.127 -121.874 45.2803 -44.2505 45.2795 -143.998 GPRESSURE: 4761000 120.969 149.196 -12.7571 153.951 -100.868 12.0447 -135.875 50.35 -108.897 PRESSAVG: 4761000 23.6573 -7.50125 12.538 -7.50118 -22.5586 -9.09412 12.538 -9.09409 23.6182 GPRESSAVG: 4761000 23.346 -6.59779 12.458 -7.02654 -23.0117 -9.3456 14.0834 -6.44802 23.5448 TIMING: 4761000 CPU: 15098.9, 0.00314455/step Wall: 15098.9, 0.00314455/step, 0.208763 hours remaining, 240.667969 MB of memory in use. ENERGY: 4761000 4055.7962 20607.6163 14544.4021 264.5501 -203495.9279 2462.5654 0.0000 0.0000 52085.9037 -109475.0940 299.3384 -161560.9977 -109112.0719 300.2221 -57.0155 -29.5986 760010.4575 8.2389 7.9597 PRESSURE: 4761200 25.4289 6.61956 -234.859 6.61918 28.8934 174.86 -234.859 174.859 858.956 GPRESSURE: 4761200 100.171 48.5958 -230.93 -1.84083 76.9533 199.081 -248.726 69.8483 810.409 PRESSAVG: 4761200 32.4337 -43.186 -18.6437 -43.186 10.1466 1.92626 -18.6437 1.92638 7.03748 GPRESSAVG: 4761200 32.9993 -42.065 -19.0724 -42.9209 11.1999 1.22522 -19.0416 0.412802 5.76623 TIMING: 4761200 CPU: 15099.5, 0.00313392/step Wall: 15099.5, 0.00313392/step, 0.207884 hours remaining, 240.667969 MB of memory in use. ENERGY: 4761200 4008.4315 20389.8886 14523.6954 217.7911 -203625.9421 2609.3563 0.0000 0.0000 52294.2494 -109582.5298 300.5358 -161876.7792 -109221.9815 299.8588 304.4261 329.1777 759879.2371 16.5393 16.6551 PRESSURE: 4761400 -85.2787 26.4458 -222.982 26.4463 -183.908 -128.994 -222.981 -128.993 -38.9054 GPRESSURE: 4761400 -94.7554 153.776 -255.136 120.678 -97.2451 -196.431 -64.9725 7.83861 -33.998 PRESSAVG: 4761400 -19.6467 -8.99963 5.57126 -8.99963 0.201307 42.4578 5.57122 42.4578 33.9886 GPRESSAVG: 4761400 -20.364 -9.5515 5.79281 -8.97047 0.934366 43.157 7.9492 42.4028 34.2262 TIMING: 4761400 CPU: 15100.1, 0.00314872/step Wall: 15100.1, 0.00314872/step, 0.20869 hours remaining, 240.667969 MB of memory in use. ENERGY: 4761400 3992.1852 20452.1454 14496.1793 249.8299 -203606.9774 2661.4732 0.0000 0.0000 52386.3432 -109368.8212 301.0650 -161755.1644 -109009.1241 299.9425 -102.6974 -75.3329 760985.7051 4.8478 4.9322 PRESSURE: 4761600 -193.431 -42.4584 218.465 -42.4584 133.334 -87.9812 218.465 -87.9817 12.4637 GPRESSURE: 4761600 -136.625 -10.2178 163.672 -63.2119 141.74 -183.839 156.553 -5.93876 43.1446 PRESSAVG: 4761600 -48.8681 14.9086 34.3514 14.9086 59.3624 -29.2961 34.3514 -29.296 -7.43679 GPRESSAVG: 4761600 -50.5322 13.9822 35.1219 15.1321 59.3002 -31.2336 33.4262 -28.8774 -5.8593 TIMING: 4761600 CPU: 15100.8, 0.00314113/step Wall: 15100.8, 0.00314113/step, 0.208012 hours remaining, 240.667969 MB of memory in use. ENERGY: 4761600 3910.5354 20488.5273 14514.0515 261.7106 -203307.0823 2372.4001 0.0000 0.0000 52298.2714 -109461.5860 300.5589 -161759.8575 -109101.6002 299.3080 -15.8776 16.0865 760505.7396 1.0191 0.9696 PRESSURE: 4761800 -253.196 17.3864 -79.7812 17.3872 246.157 133.02 -79.7801 133.02 -422.378 GPRESSURE: 4761800 -170.687 31.7674 -156.83 -18.2544 204.192 205.88 -126.796 204.13 -396.959 PRESSAVG: 4761800 37.8788 13.5224 31.4766 13.5225 -11.6568 17.6574 31.4766 17.6573 1.63533 GPRESSAVG: 4761800 39.015 11.9925 30.6282 13.1315 -11.598 21.6286 30.3414 16.1192 0.331127 TIMING: 4761800 CPU: 15101.4, 0.00311622/step Wall: 15101.4, 0.00311622/step, 0.20619 hours remaining, 240.667969 MB of memory in use. ENERGY: 4761800 3978.2258 20524.6920 14547.3651 251.5272 -203443.4222 2568.8251 0.0000 0.0000 51791.0279 -109781.7591 297.6437 -161572.7870 -109419.1495 299.1266 -143.1391 -121.1512 760923.6936 9.2858 9.2494 PRESSURE: 4762000 7.23812 -135.126 118.438 -135.126 6.65195 120.268 118.438 120.267 80.0978 GPRESSURE: 4762000 103.382 -93.8642 221.935 -154.224 -7.73107 87.6274 260.025 181.485 75.4981 PRESSAVG: 4762000 -4.36542 -25.4012 49.5792 -25.4012 8.05508 17.1609 49.5792 17.1608 -15.8348 GPRESSAVG: 4762000 -3.1236 -23.0539 51.0266 -26.5803 7.30867 14.6971 48.791 18.6379 -16.0647 TIMING: 4762000 CPU: 15102, 0.00313319/step Wall: 15102, 0.00313319/step, 0.207139 hours remaining, 240.667969 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: 4762000 3970.9467 20451.3464 14521.5115 259.1444 -203268.1951 2502.4933 0.0000 0.0000 51855.3432 -109707.4097 298.0134 -161562.7528 -109363.0511 298.6166 31.3293 57.0498 760971.7077 -4.0484 -3.9599 PRESSURE: 4762200 -181.381 -134.203 15.6211 -134.202 33.0381 63.7164 15.6212 63.7163 240.681 GPRESSURE: 4762200 -182.324 -122.849 -38.6776 -146.031 75.0688 39.5623 -34.2496 138.664 270.198 PRESSAVG: 4762200 55.5625 23.2996 7.50872 23.2996 -54.4418 -7.17205 7.50874 -7.17204 8.11242 GPRESSAVG: 4762200 55.1521 23.0925 5.87591 25.2849 -54.0377 -6.60335 6.779 -9.73583 8.57758 TIMING: 4762200 CPU: 15102.6, 0.00311927/step Wall: 15102.6, 0.00311927/step, 0.206045 hours remaining, 240.667969 MB of memory in use. ENERGY: 4762200 4025.5907 20462.3443 14475.5468 246.8363 -203477.2484 2581.3184 0.0000 0.0000 51982.2773 -109703.3346 298.7429 -161685.6119 -109345.1262 298.9248 30.7792 54.3144 760569.9761 3.0777 3.2306 PRESSURE: 4762400 24.9308 44.274 -202.831 44.2743 -338.614 260.389 -202.831 260.388 -322.957 GPRESSURE: 4762400 47.2222 113.761 -149.003 165.426 -252.628 268.373 -134.82 81.9801 -343.89 PRESSAVG: 4762400 31.8748 33.9792 33.867 33.9792 -27.1623 21.6192 33.867 21.6192 26.8662 GPRESSAVG: 4762400 31.8412 34.1896 34.5489 31.2274 -26.9258 21.3497 35.9162 23.509 26.6352 TIMING: 4762400 CPU: 15103.3, 0.00310753/step Wall: 15103.3, 0.00310753/step, 0.205097 hours remaining, 240.667969 MB of memory in use. ENERGY: 4762400 3933.8650 20490.6383 14473.7019 266.2031 -203285.4034 2406.3814 0.0000 0.0000 52099.4823 -109615.1315 299.4164 -161714.6137 -109251.5555 299.1485 -212.2136 -183.0986 760378.2931 10.5262 10.5169 PRESSURE: 4762600 373.067 -191.262 -58.8209 -191.262 -11.7378 -242.865 -58.8214 -242.866 -64.6113 GPRESSURE: 4762600 326.199 -332.041 -220.287 -183.01 103.853 -248.194 97.0897 -213.865 -46.8564 PRESSAVG: 4762600 49.491 -56.3175 -17.2932 -56.3175 -45.8352 -9.08824 -17.2931 -9.08831 -21.1838 GPRESSAVG: 4762600 49.0273 -56.7971 -17.7513 -55.2537 -44.8971 -9.08191 -16.9905 -7.54913 -22.1525 TIMING: 4762600 CPU: 15103.9, 0.00312253/step Wall: 15103.9, 0.00312253/step, 0.205913 hours remaining, 240.667969 MB of memory in use. ENERGY: 4762600 3935.8163 20434.9588 14471.6064 250.2910 -203668.9520 2564.4652 0.0000 0.0000 52293.5314 -109718.2828 300.5316 -162011.8142 -109351.9011 299.3767 98.9060 127.7321 760794.0703 -5.8426 -6.0074 PRESSURE: 4762800 -41.6657 -152.058 -35.4994 -152.057 -294.938 131.43 -35.4995 131.428 157.414 GPRESSURE: 4762800 -23.1851 -97.1634 23.7211 -106.488 -189.79 160.156 -160.467 175.648 113.696 PRESSAVG: 4762800 59.1345 -19.3967 -19.3939 -19.3967 -57.472 -1.96577 -19.394 -1.96581 10.8536 GPRESSAVG: 4762800 59.086 -21.3385 -19.6648 -19.1458 -57.8385 -1.53883 -18.533 -2.82678 11.3899 TIMING: 4762800 CPU: 15104.5, 0.00312798/step Wall: 15104.5, 0.00312798/step, 0.206099 hours remaining, 240.667969 MB of memory in use. ENERGY: 4762800 4039.2906 20414.2846 14457.0375 253.2539 -203389.6769 2481.8763 0.0000 0.0000 52054.4544 -109689.4796 299.1577 -161743.9340 -109317.0287 299.2918 -59.7300 -33.0928 762423.9220 4.1720 4.2125 PRESSURE: 4763000 -409.003 89.794 -123.862 89.7932 -254.252 -22.5223 -123.863 -22.5228 -367.987 GPRESSURE: 4763000 -308.695 54.6115 -122.239 82.6447 -228.715 -106.838 -160.248 153.841 -385.288 PRESSAVG: 4763000 -57.4442 -33.0713 44.2278 -33.0713 37.4652 8.18019 44.2278 8.18018 -21.8071 GPRESSAVG: 4763000 -57.7324 -31.7268 44.7129 -33.8665 36.4487 7.27866 42.5347 8.92949 -20.6746 TIMING: 4763000 CPU: 15105.1, 0.00313934/step Wall: 15105.1, 0.00313933/step, 0.206673 hours remaining, 240.667969 MB of memory in use. ENERGY: 4763000 3973.3652 20254.9725 14451.9389 247.7665 -203171.7751 2276.6884 0.0000 0.0000 52310.0910 -109656.9525 300.6268 -161967.0436 -109289.7368 299.1160 -343.7472 -307.5660 763432.6371 -13.9287 -13.9861 PRESSURE: 4763200 -68.4311 27.8987 -25.6197 27.8984 111.148 299.994 -25.6201 299.994 -144.684 GPRESSURE: 4763200 -91.3887 36.4729 -43.6316 36.0962 145.524 363.269 71.7226 149.018 -66.3551 PRESSAVG: 4763200 -46.1113 -48.4264 -23.8667 -48.4264 9.90438 -27.7923 -23.8668 -27.7923 -7.40377 GPRESSAVG: 4763200 -44.9972 -49.5297 -23.8881 -45.1893 8.87587 -26.4199 -23.8435 -30.6416 -7.10854 TIMING: 4763200 CPU: 15105.8, 0.00313333/step Wall: 15105.8, 0.00313333/step, 0.206103 hours remaining, 240.667969 MB of memory in use. ENERGY: 4763200 4015.6234 20284.6669 14531.2806 241.8698 -203161.9049 2427.4086 0.0000 0.0000 52063.0962 -109597.9593 299.2073 -161661.0555 -109233.9594 299.1853 -33.9891 -4.0732 762158.3454 -14.5369 -14.4100 PRESSURE: 4763400 -419.609 -124.022 70.4834 -124.022 -209.623 12.2308 70.4833 12.2302 -199.35 GPRESSURE: 4763400 -334.925 -79.557 2.65491 -89.3527 -112.603 12.8418 151.271 -111.462 -291.107 PRESSAVG: 4763400 17.0017 -42.5881 37.9556 -42.5881 -0.475191 -28.3168 37.9556 -28.3168 18.5021 GPRESSAVG: 4763400 16.7639 -42.4465 37.5474 -44.3636 0.675422 -29.0404 39.4891 -27.1814 17.338 TIMING: 4763400 CPU: 15106.4, 0.00311781/step Wall: 15106.4, 0.00311781/step, 0.204909 hours remaining, 240.667969 MB of memory in use. ENERGY: 4763400 3997.7843 20663.6455 14522.5599 232.5810 -203220.2754 2290.0268 0.0000 0.0000 52037.1241 -109476.5538 299.0581 -161513.6779 -109119.8695 298.7016 -276.1943 -246.2117 761621.7724 11.6762 11.5925 PRESSURE: 4763600 170.266 -53.2552 325.717 -53.2558 283.472 -58.4717 325.715 -58.4733 118.623 GPRESSURE: 4763600 213.683 -20.66 405.649 -62.5501 300.291 -44.4495 108.435 -166.991 109.913 PRESSAVG: 4763600 14.512 -28.6862 6.92633 -28.6861 9.83043 -27.5507 6.9263 -27.5507 -13.0637 GPRESSAVG: 4763600 14.6634 -30.1052 6.43623 -28.0083 9.98539 -27.2799 5.17177 -28.7682 -13.1448 TIMING: 4763600 CPU: 15107, 0.00313069/step Wall: 15107, 0.00313069/step, 0.205582 hours remaining, 240.667969 MB of memory in use. ENERGY: 4763600 3953.4531 20470.3256 14491.2138 264.7632 -203432.4575 2606.8048 0.0000 0.0000 52380.8619 -109265.0351 301.0335 -161645.8970 -108905.2796 299.9223 190.7871 207.9624 761589.1732 3.7596 3.8347 PRESSURE: 4763800 -259.374 -123.701 -117.377 -123.701 286.946 132.694 -117.378 132.694 119.623 GPRESSURE: 4763800 -250.885 -149.524 -219.78 -125.192 341.624 114.873 -29.6837 156.763 145.281 PRESSAVG: 4763800 -39.3918 -34.1354 -42.8742 -34.1353 34.2325 -17.6305 -42.8742 -17.6305 -12.5259 GPRESSAVG: 4763800 -40.2777 -34.0647 -41.6917 -34.431 35.0994 -17.1042 -42.6466 -17.2344 -12.3594 TIMING: 4763800 CPU: 15107.6, 0.00312675/step Wall: 15107.6, 0.00312675/step, 0.20515 hours remaining, 240.667969 MB of memory in use. ENERGY: 4763800 3963.6701 20637.4805 14512.7077 243.8076 -203407.9589 2638.4299 0.0000 0.0000 52007.7625 -109404.1006 298.8893 -161411.8631 -109040.7138 299.6065 49.0648 78.6732 761660.8873 -5.8951 -5.8459 PRESSURE: 4764000 -135.405 3.95281 -183.145 3.95336 -90.669 18.6225 -183.145 18.6225 -139.782 GPRESSURE: 4764000 -82.0792 -109.815 -160.286 6.47446 -156.593 4.55795 -242.931 -22.6397 -36.3048 PRESSAVG: 4764000 -0.839013 -26.5458 -52.968 -26.5458 -20.2294 7.18532 -52.968 7.18529 -7.41109 GPRESSAVG: 4764000 0.103666 -24.9639 -51.4883 -27.5245 -21.3146 7.20757 -52.4147 7.9412 -7.05298 TIMING: 4764000 CPU: 15108.3, 0.00313498/step Wall: 15108.3, 0.00313498/step, 0.205515 hours remaining, 240.667969 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: 4764000 3953.4621 20603.8832 14457.2489 238.4839 -203208.0309 2493.7764 0.0000 0.0000 52034.2048 -109426.9716 299.0413 -161461.1763 -109071.4373 299.8443 -121.9522 -91.6590 761267.0607 -9.4932 -9.4213 PRESSURE: 4764200 131.32 -138.962 -57.6391 -138.964 19.1883 0.648209 -57.6385 0.647415 309.629 GPRESSURE: 4764200 100.399 -52.6368 -49.6837 -253.097 99.0293 -86.1998 57.5404 -8.50674 335.619 PRESSAVG: 4764200 15.2611 -3.85821 1.63632 -3.8582 -19.1445 -11.6228 1.63631 -11.6229 7.27651 GPRESSAVG: 4764200 14.9013 -5.10536 0.481265 -3.59727 -18.6403 -13.344 0.541872 -10.3209 6.7154 TIMING: 4764200 CPU: 15108.9, 0.00314404/step Wall: 15108.9, 0.00314404/step, 0.205935 hours remaining, 240.667969 MB of memory in use. ENERGY: 4764200 4106.5368 20407.0966 14475.2946 250.6686 -203844.1240 2953.8379 0.0000 0.0000 52296.9006 -109353.7888 300.5510 -161650.6894 -109002.4125 299.6567 153.3791 178.3494 759830.3218 1.1310 0.9922 LDB: ============= START OF LOAD BALANCING ============== 15121.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15121.4 LDB: =============== DONE WITH MIGRATION ================ 15121.4 LDB: ============= START OF LOAD BALANCING ============== 15121.7 LDB: Largest compute 7036 load 0.033550 is 17.2% of average load 0.195554 LDB: Average compute 0.004347 is 2.2% of average load 0.195554 LDB: TIME 15121.7 LOAD: AVG 0.195554 MAX 0.217039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.957 MB LDB: TIME 15121.7 LOAD: AVG 0.195554 MAX 0.217039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: TIME 15121.7 LOAD: AVG 0.195554 MAX 0.217039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.961 MB LDB: ============== END OF LOAD BALANCING =============== 15121.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15121.7 PRESSURE: 4764400 -263.973 -336.896 92.1929 -336.895 -353.618 -81.947 92.1922 -81.9473 -203.511 GPRESSURE: 4764400 -188.203 -283.206 26.8702 -205.843 -324.283 -134.001 170.37 -60.6836 -251.172 PRESSAVG: 4764400 -16.0868 -53.009 -6.70057 -53.009 50.5233 21.6068 -6.70061 21.6069 16.1962 GPRESSAVG: 4764400 -17.4941 -51.6658 -7.11509 -54.2106 50.8781 25.6763 -5.65459 19.3441 17.108 TIMING: 4764400 CPU: 15109.5, 0.00320787/step Wall: 15109.5, 0.00320787/step, 0.209937 hours remaining, 241.437500 MB of memory in use. ENERGY: 4764400 3977.8229 20549.3573 14444.2949 243.4435 -203079.1467 2507.3192 0.0000 0.0000 51971.6471 -109385.2617 298.6818 -161356.9088 -109035.0482 299.7232 -273.7007 -254.5526 762010.8591 16.8776 16.8307 PRESSURE: 4764600 -6.16133 30.4721 -203.31 30.4722 4.66705 -189.804 -203.309 -189.803 92.1342 GPRESSURE: 4764600 44.7874 9.09423 -185.4 16.6957 67.5621 -301.888 -157.035 -157.757 70.5008 PRESSAVG: 4764600 -23.5687 -4.28689 -34.0615 -4.28688 30.6155 -42.9096 -34.0616 -42.9097 -3.84835 GPRESSAVG: 4764600 -22.726 -6.3464 -31.998 -1.96009 30.55 -45.9646 -34.3464 -43.6263 -4.15604 TIMING: 4764600 CPU: 15110.2, 0.00313304/step Wall: 15110.2, 0.00313304/step, 0.204866 hours remaining, 241.437500 MB of memory in use. ENERGY: 4764600 3990.4241 20437.3625 14429.3322 232.0937 -202729.6554 2070.5626 0.0000 0.0000 52094.6311 -109475.2492 299.3886 -161569.8804 -109109.1138 299.8182 30.2133 60.9501 760398.6817 1.0661 1.2226 PRESSURE: 4764800 349.776 -124.303 9.39586 -124.305 11.0597 -123.367 9.3967 -123.368 64.1686 GPRESSURE: 4764800 278.472 -36.4243 -60.1642 -214.163 112.909 -137.807 35.5928 -59.7921 106.349 PRESSAVG: 4764800 -1.22653 -17.9386 -3.96361 -17.9386 48.5241 -34.8567 -3.96361 -34.8566 -9.49563 GPRESSAVG: 4764800 -1.93018 -15.9535 -6.01155 -17.6287 49.4894 -33.6079 -2.75916 -33.6201 -9.4088 TIMING: 4764800 CPU: 15110.8, 0.00313665/step Wall: 15110.8, 0.00313665/step, 0.204928 hours remaining, 241.437500 MB of memory in use. ENERGY: 4764800 4025.5745 20710.6367 14450.7131 251.4077 -203497.3769 2735.1575 0.0000 0.0000 51843.1615 -109480.7258 297.9434 -161323.8874 -109142.8673 299.2575 141.6680 165.9103 759880.7215 12.6006 12.7168 PRESSURE: 4765000 1.85368 -77.7277 -119.47 -77.7276 309.635 82.2113 -119.47 82.2116 355.028 GPRESSURE: 4765000 -1.16806 -66.4975 -43.5674 -193.012 307.789 38.0853 -105.711 182.418 454.379 PRESSAVG: 4765000 2.00363 -13.4548 -37.0798 -13.4548 44.7858 9.92976 -37.0797 9.92971 -19.9272 GPRESSAVG: 4765000 4.80719 -14.2268 -35.6918 -13.7538 42.9844 8.0197 -36.0976 13.6582 -20.2117 TIMING: 4765000 CPU: 15111.4, 0.00314704/step Wall: 15111.4, 0.00314704/step, 0.205432 hours remaining, 241.437500 MB of memory in use. ENERGY: 4765000 3943.6833 20265.4960 14511.5930 249.8830 -203335.6314 2725.3378 0.0000 0.0000 51966.7536 -109672.8847 298.6536 -161639.6383 -109306.2079 298.7814 222.1723 253.6665 759048.2414 8.9541 9.1933 PRESSURE: 4765200 -71.4487 62.163 356.61 62.162 171.668 -347.167 356.611 -347.166 218.382 GPRESSURE: 4765200 -13.3845 63.193 358.819 -46.194 217.672 -331.424 202.951 -405.419 194.194 PRESSAVG: 4765200 -48.9307 -38.9241 -58.9291 -38.924 40.3027 1.61159 -58.9291 1.6117 6.5476 GPRESSAVG: 4765200 -50.4595 -38.4555 -61.3639 -41.3642 40.9576 3.64709 -59.1468 -1.43412 7.1654 TIMING: 4765200 CPU: 15112.1, 0.00312205/step Wall: 15112.1, 0.00312205/step, 0.203627 hours remaining, 241.437500 MB of memory in use. ENERGY: 4765200 3956.9350 20396.1804 14568.9504 264.2749 -203404.0640 2542.5982 0.0000 0.0000 52055.8602 -109619.2647 299.1657 -161675.1250 -109260.1058 298.8130 106.2004 132.8272 759596.0703 -0.6935 -0.7788 PRESSURE: 4765400 190.461 64.924 38.3828 64.9244 118.093 -25.8324 38.3819 -25.832 -136.916 GPRESSURE: 4765400 201.87 110.648 82.3324 81.4882 226.275 31.6783 -87.927 -145.836 -160.983 PRESSAVG: 4765400 19.0068 -22.9417 -43.2931 -22.9416 -9.98432 -13.687 -43.2931 -13.6869 -8.29487 GPRESSAVG: 4765400 18.8982 -25.2949 -41.4124 -22.557 -9.44262 -13.3062 -46.1972 -13.4062 -9.57684 TIMING: 4765400 CPU: 15112.7, 0.00311869/step Wall: 15112.7, 0.00311869/step, 0.203235 hours remaining, 241.437500 MB of memory in use. ENERGY: 4765400 4025.2468 20454.2250 14505.5775 243.8190 -203467.2372 2720.5606 0.0000 0.0000 51978.0441 -109539.7643 298.7185 -161517.8084 -109182.2344 299.3862 57.2129 89.0541 759609.8741 0.2426 -0.0404 PRESSURE: 4765600 16.841 15.4643 -187.255 15.4635 260.716 178.633 -187.254 178.632 105.331 GPRESSURE: 4765600 122.855 67.4656 -214.329 -12.7482 195.532 72.7153 -8.76697 209.492 139.128 PRESSAVG: 4765600 15.7252 -15.9921 -51.5458 -15.9922 -17.1323 22.2821 -51.5459 22.2821 -5.86745 GPRESSAVG: 4765600 16.4646 -14.2245 -53.2272 -14.1833 -18.5869 21.4731 -48.5073 23.2606 -5.36868 TIMING: 4765600 CPU: 15113.3, 0.00313352/step Wall: 15113.3, 0.00313352/step, 0.204027 hours remaining, 241.437500 MB of memory in use. ENERGY: 4765600 3980.4628 20522.2830 14439.9693 239.8685 -203531.9865 2712.0328 0.0000 0.0000 52007.5614 -109629.8086 298.8882 -161637.3701 -109265.6222 298.8120 127.6292 152.5049 761989.6500 -2.4248 -2.4970 PRESSURE: 4765800 398.348 -39.1649 -23.5943 -39.1648 -297.667 -127.922 -23.5946 -127.921 261.652 GPRESSURE: 4765800 286.513 10.6577 77.3817 -54.2588 -144.648 -165.84 -8.27497 -6.4773 310.82 PRESSAVG: 4765800 -28.9077 -25.5085 -9.54568 -25.5085 10.5687 -20.9343 -9.54568 -20.9343 12.6677 GPRESSAVG: 4765800 -28.7662 -25.0413 -8.33791 -26.4523 9.90662 -19.1538 -11.2398 -21.5986 12.7822 TIMING: 4765800 CPU: 15113.9, 0.00311472/step Wall: 15113.9, 0.00311472/step, 0.20263 hours remaining, 241.437500 MB of memory in use. ENERGY: 4765800 3914.9147 20528.5859 14530.6275 235.0874 -202708.3421 2124.3389 0.0000 0.0000 51858.0237 -109516.7638 298.0288 -161374.7876 -109152.4703 298.9391 120.7778 150.8949 761826.5449 -1.8905 -2.0258 PRESSURE: 4766000 -157.562 17.7426 361.124 17.7428 241.161 174.652 361.124 174.653 -40.4126 GPRESSURE: 4766000 -98.8272 85.574 408.786 57.6458 260.741 225.576 287.106 13.4021 -38.9952 PRESSAVG: 4766000 7.5176 -28.228 9.52068 -28.2279 -4.58258 33.6807 9.52069 33.6807 13.5587 GPRESSAVG: 4766000 6.87485 -28.6449 10.6907 -26.6587 -3.92783 32.5832 6.51734 33.0091 13.6025 TIMING: 4766000 CPU: 15114.6, 0.00312286/step Wall: 15114.6, 0.00312286/step, 0.202986 hours remaining, 241.437500 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: 4766000 4015.2833 20683.2986 14394.3616 234.4662 -203252.9665 2626.4247 0.0000 0.0000 51776.9299 -109522.2023 297.5627 -161299.1322 -109174.8882 299.3793 14.3954 40.9727 762331.6379 5.4979 5.5165 PRESSURE: 4766200 -136.129 -140.184 113.189 -140.184 -140.159 204.497 113.189 204.498 30.8586 GPRESSURE: 4766200 -62.2884 -152.945 116.236 -273.994 -88.0271 133.056 100.909 107.636 -10.0237 PRESSAVG: 4766200 30.7452 -64.9134 10.2402 -64.9133 -39.6708 46.2149 10.2401 46.2149 -8.42225 GPRESSAVG: 4766200 30.4608 -64.5792 8.83218 -65.4513 -39.2385 45.9137 13.6386 45.4811 -8.71305 TIMING: 4766200 CPU: 15115.2, 0.00311168/step Wall: 15115.2, 0.00311168/step, 0.202087 hours remaining, 241.437500 MB of memory in use. ENERGY: 4766200 4015.4811 20265.4208 14432.6049 241.4583 -203483.5590 2680.0509 0.0000 0.0000 52198.0592 -109650.4837 299.9830 -161848.5429 -109292.0247 298.7876 -81.8099 -53.4464 762275.1565 -5.7826 -5.8303 PRESSURE: 4766400 -88.256 -127.858 -226.263 -127.857 -186.827 -6.42412 -226.263 -6.42414 -27.2634 GPRESSURE: 4766400 -110.49 -153.276 -275.281 -174.679 -103.7 -17.7772 -108.645 9.44333 6.47075 PRESSAVG: 4766400 99.1507 -40.3826 12.0421 -40.3826 -82.04 32.1346 12.0421 32.1345 24.4822 GPRESSAVG: 4766400 98.8689 -41.7882 12.5695 -41.4607 -82.1525 31.4922 11.4562 34.2013 25.1617 TIMING: 4766400 CPU: 15115.8, 0.00312615/step Wall: 15115.8, 0.00312615/step, 0.202853 hours remaining, 241.437500 MB of memory in use. ENERGY: 4766400 3984.5045 20346.9646 14556.1968 221.3694 -203430.8027 2714.8495 0.0000 0.0000 51924.1016 -109682.8162 298.4085 -161606.9178 -109317.6791 298.5850 -100.7823 -69.2398 762630.6924 13.8643 13.9593 PRESSURE: 4766600 -145.623 -126.031 -61.6542 -126.031 162.616 181.403 -61.6542 181.403 303.799 GPRESSURE: 4766600 -54.218 -30.9304 -43.335 -124.362 154.542 204.997 -77.5467 74.7889 305.754 PRESSAVG: 4766600 -12.2018 -40.8263 2.31267 -40.8263 -11.0551 5.89506 2.31275 5.8951 10.2711 GPRESSAVG: 4766600 -11.3818 -40.1085 3.05914 -40.5126 -11.8012 5.92907 1.13411 5.04793 10.343 TIMING: 4766600 CPU: 15116.4, 0.00312551/step Wall: 15116.4, 0.00312551/step, 0.202637 hours remaining, 241.437500 MB of memory in use. ENERGY: 4766600 4032.9282 20459.7894 14447.0388 244.2407 -203641.4272 2737.2658 0.0000 0.0000 52180.2523 -109539.9120 299.8806 -161720.1643 -109165.6007 299.1823 106.9308 135.3591 762760.8971 -4.3286 -4.2800 PRESSURE: 4766800 142.857 160.618 -88.7258 160.618 51.0435 59.8907 -88.7256 59.8912 362.704 GPRESSURE: 4766800 260.541 126.229 -28.5344 77.9438 18.9936 54.0843 -13.0851 -2.63897 373.089 PRESSAVG: 4766800 51.8387 58.8676 -36.1929 58.8676 -2.74953 -7.3601 -36.1929 -7.36002 7.82283 GPRESSAVG: 4766800 50.9603 58.2618 -36.8473 59.785 -1.44102 -7.97328 -35.4875 -6.47685 7.14206 TIMING: 4766800 CPU: 15117.1, 0.00314835/step Wall: 15117.1, 0.00314835/step, 0.203943 hours remaining, 241.437500 MB of memory in use. ENERGY: 4766800 3994.1833 20725.8260 14441.1186 247.8208 -203761.1275 3036.2901 0.0000 0.0000 51948.0301 -109367.8586 298.5460 -161315.8886 -109019.8165 299.4089 185.5348 217.5412 761582.0152 18.9707 18.8871 PRESSURE: 4767000 -62.9829 -56.4278 -127.986 -56.4278 -233.849 226.937 -127.986 226.937 371.413 GPRESSURE: 4767000 -38.4157 -2.43016 -115.166 -29.6919 -194.872 208.268 -54.3051 178.494 392.758 PRESSAVG: 4767000 36.538 50.1097 -56.989 50.1097 1.65798 -10.8379 -56.9891 -10.838 0.924718 GPRESSAVG: 4767000 35.9355 51.4188 -57.148 51.3016 0.491191 -9.0734 -56.3984 -12.6426 2.46101 TIMING: 4767000 CPU: 15117.7, 0.00310587/step Wall: 15117.7, 0.00310587/step, 0.201019 hours remaining, 241.437500 MB of memory in use. ENERGY: 4767000 4048.9108 20476.8694 14475.0683 211.8077 -203599.1542 2721.0070 0.0000 0.0000 52079.8294 -109585.6617 299.3035 -161665.4911 -109230.4654 299.1040 24.8605 53.1567 761232.4443 13.0402 12.9626 PRESSURE: 4767200 -425.878 244.854 97.3386 244.853 -177.399 -99.8122 97.3391 -99.8112 -429.606 GPRESSURE: 4767200 -396.708 166.66 172.948 269.156 -175.881 -116.219 122.023 -85.4537 -378.855 PRESSAVG: 4767200 9.20918 12.7166 -74.9602 12.7166 57.8891 15.8315 -74.9602 15.8315 5.39362 GPRESSAVG: 4767200 9.95897 13.782 -76.315 11.1276 58.2948 16.7494 -74.2561 16.5862 3.76394 TIMING: 4767200 CPU: 15118.3, 0.00313712/step Wall: 15118.3, 0.00313712/step, 0.202867 hours remaining, 241.437500 MB of memory in use. ENERGY: 4767200 3953.3818 20397.4318 14455.1419 244.2994 -203711.8455 2642.2781 0.0000 0.0000 52262.5209 -109756.7917 300.3534 -162019.3125 -109383.1344 298.9415 -344.2946 -317.1480 761442.9115 24.1640 24.0059 PRESSURE: 4767400 -96.1565 -127.619 154.097 -127.619 -113.53 257.468 154.097 257.468 5.55924 GPRESSURE: 4767400 -19.8207 -177.674 132.514 -127.129 -133.192 213.18 89.8946 195.945 31.6122 PRESSAVG: 4767400 27.9366 44.7794 0.233199 44.7794 -20.8218 7.24033 0.23321 7.24031 9.12621 GPRESSAVG: 4767400 28.5735 42.8021 1.52156 42.7484 -21.7711 6.43577 -1.68788 7.26582 9.48285 TIMING: 4767400 CPU: 15118.9, 0.00312862/step Wall: 15118.9, 0.00312862/step, 0.202144 hours remaining, 241.437500 MB of memory in use. ENERGY: 4767400 3985.6946 20276.7888 14480.2865 227.9871 -203272.3057 2495.8125 0.0000 0.0000 52031.8438 -109773.8924 299.0277 -161805.7362 -109412.6482 298.5906 -68.0426 -40.4668 760709.8561 5.4137 5.4284 PRESSURE: 4767600 -385.779 -108.602 -80.3957 -108.602 -142.727 172.916 -80.3961 172.916 215.805 GPRESSURE: 4767600 -406.932 -75.0661 -106.681 -144.885 -54.8461 192.773 19.5242 42.087 247.611 PRESSAVG: 4767600 59.8094 -7.52859 34.4579 -7.52867 -62.3086 -26.835 34.4578 -26.835 -9.69892 GPRESSAVG: 4767600 60.634 -7.85322 35.4006 -6.16335 -63.4271 -26.5872 34.3207 -30.918 -8.75696 TIMING: 4767600 CPU: 15119.6, 0.00314835/step Wall: 15119.6, 0.00314835/step, 0.203244 hours remaining, 241.437500 MB of memory in use. ENERGY: 4767600 3928.7112 20682.2532 14454.8966 248.2601 -203462.0260 2559.8889 0.0000 0.0000 51917.3527 -109670.6634 298.3697 -161588.0161 -109305.1332 299.0451 -104.2336 -71.3891 761600.7651 -4.0660 -3.8500 PRESSURE: 4767800 65.874 -58.7217 217.125 -58.7221 211.399 -2.36553 217.125 -2.36642 -66.3933 GPRESSURE: 4767800 100.449 -38.1445 234.919 2.87856 233.318 67.3173 240.296 88.0458 -27.5299 PRESSAVG: 4767800 -13.6767 -33.3255 25.1563 -33.3255 -19.1373 -16.9268 25.1564 -16.9269 -7.92076 GPRESSAVG: 4767800 -15.2663 -30.089 26.0684 -34.5626 -17.4594 -17.7 27.4374 -13.8195 -7.9931 TIMING: 4767800 CPU: 15120.2, 0.00313194/step Wall: 15120.2, 0.00313194/step, 0.20201 hours remaining, 241.437500 MB of memory in use. ENERGY: 4767800 3962.9514 20424.0412 14532.9598 266.4731 -203895.9965 2694.6872 0.0000 0.0000 52094.0601 -109920.8236 299.3853 -162014.8837 -109551.8668 298.6721 70.2931 102.0794 760549.2082 -13.5783 -13.5729 PRESSURE: 4768000 76.5995 90.9814 43.0956 90.9803 -175.252 -298.923 43.0958 -298.924 124.709 GPRESSURE: 4768000 152.581 62.1092 75.949 50.5939 -141.454 -298.118 -34.0593 -280.254 73.4313 PRESSAVG: 4768000 -41.1649 -25.1014 3.52574 -25.1014 39.3977 -35.3247 3.52575 -35.3247 15.9966 GPRESSAVG: 4768000 -41.5043 -26.7012 2.26458 -23.1054 40.5603 -36.6644 4.04153 -34.3022 15.1637 TIMING: 4768000 CPU: 15120.8, 0.00314381/step Wall: 15120.8, 0.00314381/step, 0.202601 hours remaining, 241.437500 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: 4768000 4081.9927 20619.1815 14501.7389 246.8511 -203765.8511 2618.5774 0.0000 0.0000 51845.4942 -109852.0152 297.9568 -161697.5094 -109494.1056 299.2107 8.6857 28.1862 758468.0419 4.7431 4.7399 PRESSURE: 4768200 -176.435 81.0524 -95.2278 81.0526 -304.851 143.856 -95.2283 143.856 268.365 GPRESSURE: 4768200 -133.648 41.0464 -86.8664 -20.6949 -215.967 92.4455 -33.4618 182.867 227.183 PRESSAVG: 4768200 1.29807 -7.21284 -8.92967 -7.2128 4.66575 -100.234 -8.92964 -100.234 -24.7556 GPRESSAVG: 4768200 2.92246 -7.54854 -9.56235 -7.50799 1.61475 -98.2115 -9.31188 -101.865 -23.3097 TIMING: 4768200 CPU: 15121.4, 0.00312795/step Wall: 15121.4, 0.00312795/step, 0.201405 hours remaining, 241.437500 MB of memory in use. ENERGY: 4768200 3981.9938 20618.2537 14485.3925 237.4584 -203700.2397 2465.8804 0.0000 0.0000 51997.2838 -109913.9770 298.8291 -161911.2608 -109555.7980 298.8755 -70.9736 -40.8108 759281.9850 -6.2639 -6.2575 LDB: ============= START OF LOAD BALANCING ============== 15133.9 LDB: ============== END OF LOAD BALANCING =============== 15133.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15133.9 LDB: ============= START OF LOAD BALANCING ============== 15134.2 LDB: Largest compute 7068 load 0.031266 is 16.0% of average load 0.195539 LDB: Average compute 0.004349 is 2.2% of average load 0.195539 LDB: TIME 15134.2 LOAD: AVG 0.195539 MAX 0.215019 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.117 MB LDB: TIME 15134.2 LOAD: AVG 0.195539 MAX 0.215019 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.117 MB LDB: TIME 15134.2 LOAD: AVG 0.195539 MAX 0.215019 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.117 MB LDB: ============== END OF LOAD BALANCING =============== 15134.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15134.2 PRESSURE: 4768400 162.121 -49.5018 210.848 -49.5016 -208.42 -150.322 210.848 -150.321 261.593 GPRESSURE: 4768400 94.889 -69.3846 134.905 45.6074 -68.9241 -126.09 225.331 -32.6365 271.857 PRESSAVG: 4768400 -67.4868 -32.4371 22.942 -32.4371 57.4901 -44.6123 22.9421 -44.6122 -18.6142 GPRESSAVG: 4768400 -68.0185 -33.6398 23.13 -33.8523 59.5186 -46.2747 22.3023 -44.6936 -19.1731 TIMING: 4768400 CPU: 15122.1, 0.00322015/step Wall: 15122.1, 0.00322015/step, 0.207163 hours remaining, 240.343750 MB of memory in use. ENERGY: 4768400 3962.7303 20530.8234 14478.3306 242.5447 -203911.4421 2657.7568 0.0000 0.0000 52116.8883 -109922.3680 299.5165 -162039.2563 -109551.3155 299.0358 71.7646 99.2739 758702.6861 -9.5369 -9.2244 PRESSURE: 4768600 125.467 -115.226 -156.283 -115.226 283.225 -79.6429 -156.283 -79.6425 83.6602 GPRESSURE: 4768600 265.342 -147.915 -93.5278 -56.4625 265.301 -11.3643 -117.167 -63.0991 41.5855 PRESSAVG: 4768600 -2.73535 -46.3008 1.66511 -46.3008 -13.076 9.50756 1.66521 9.50761 -40.5442 GPRESSAVG: 4768600 -0.846219 -45.9135 2.28224 -43.9417 -14.048 10.0301 2.47353 9.81598 -41.7808 TIMING: 4768600 CPU: 15122.7, 0.00313855/step Wall: 15122.7, 0.00313855/step, 0.201739 hours remaining, 240.343750 MB of memory in use. ENERGY: 4768600 3986.2774 20445.4920 14521.8851 250.2036 -204059.9295 2813.7005 0.0000 0.0000 52076.3727 -109965.9982 299.2836 -162042.3710 -109597.5094 298.8892 164.1176 190.7429 759244.5930 -18.7852 -18.8917 PRESSURE: 4768800 0.777234 -186.545 238.932 -186.546 -216.544 -94.1785 238.931 -94.1789 4.34029 GPRESSURE: 4768800 25.0289 -237.646 245.198 -203.841 -200.168 -77.2414 158.425 -144.129 44.5425 PRESSAVG: 4768800 -21.0193 -64.6563 41.9726 -64.6563 19.4935 -15.8962 41.9726 -15.8963 5.59057 GPRESSAVG: 4768800 -21.5177 -62.34 42.4978 -66.6104 18.7011 -15.8414 41.0918 -15.4711 7.02371 TIMING: 4768800 CPU: 15123.3, 0.00315173/step Wall: 15123.3, 0.00315173/step, 0.202411 hours remaining, 240.343750 MB of memory in use. ENERGY: 4768800 4080.6716 20620.7717 14485.5106 232.1234 -203451.1877 2322.4878 0.0000 0.0000 51793.0721 -109916.5505 297.6555 -161709.6226 -109559.9350 298.5936 -70.4754 -43.5323 760014.6438 1.3549 1.4024 PRESSURE: 4769000 -3.33484 41.1865 -42.8086 41.1868 125.171 119.863 -42.8089 119.862 -69.2179 GPRESSURE: 4769000 41.2219 21.5962 -90.1522 -9.06699 193.194 39.2324 -19.8763 68.8299 -83.5716 PRESSAVG: 4769000 -0.0420545 -3.13031 40.5561 -3.13033 -56.7344 18.5832 40.556 18.5833 -0.779723 GPRESSAVG: 4769000 -2.24775 -7.07843 37.8669 -2.79659 -55.0232 16.2191 41.8702 19.2063 0.0546588 TIMING: 4769000 CPU: 15124, 0.0031211/step Wall: 15124, 0.0031211/step, 0.200271 hours remaining, 240.343750 MB of memory in use. ENERGY: 4769000 4102.9837 20504.0317 14494.3251 258.6781 -203561.7716 2456.9265 0.0000 0.0000 51902.0756 -109842.7509 298.2819 -161744.8265 -109480.6735 297.8583 17.5394 50.2815 758494.8897 -19.1854 -19.0721 PRESSURE: 4769200 -314.588 140.045 110.24 140.045 16.3688 290.65 110.241 290.649 -269.946 GPRESSURE: 4769200 -196.6 150.205 171.29 39.9288 -5.73543 323.673 -72.7363 68.1018 -289.433 PRESSAVG: 4769200 -8.96789 -19.4159 5.4533 -19.4159 44.1836 4.59895 5.45335 4.59895 -4.91094 GPRESSAVG: 4769200 -7.47438 -15.8883 8.45281 -19.4501 43.7743 6.28745 4.61848 4.57469 -6.09579 TIMING: 4769200 CPU: 15124.6, 0.00312474/step Wall: 15124.6, 0.00312474/step, 0.20033 hours remaining, 240.343750 MB of memory in use. ENERGY: 4769200 4026.2448 20510.0923 14541.4777 261.3034 -203920.5329 2684.8727 0.0000 0.0000 52153.4378 -109743.1042 299.7265 -161896.5420 -109373.7577 298.9835 -189.3885 -163.9229 759537.5034 10.1016 10.0680 PRESSURE: 4769400 144.569 165.831 63.6581 165.832 -43.521 -190.095 63.658 -190.095 84.135 GPRESSURE: 4769400 220.283 116.224 5.29257 89.6467 13.8262 -329.732 82.8222 -19.0422 27.5043 PRESSAVG: 4769400 -1.3193 -19.0281 26.8032 -19.028 13.4929 29.4457 26.8033 29.4456 7.55426 GPRESSAVG: 4769400 -1.43376 -21.753 25.6551 -19.4269 13.5727 28.32 28.0874 27.6388 7.62183 TIMING: 4769400 CPU: 15125.2, 0.00312351/step Wall: 15125.2, 0.00312351/step, 0.200078 hours remaining, 240.343750 MB of memory in use. ENERGY: 4769400 4094.3645 20518.4839 14423.7771 259.6322 -204024.3001 2897.5472 0.0000 0.0000 52039.0580 -109791.4373 299.0692 -161830.4952 -109439.0219 298.7701 61.7275 87.2045 758445.4378 6.5760 6.5869 PRESSURE: 4769600 -523.71 -51.1802 -193.609 -51.1802 -511.793 -494.411 -193.609 -494.41 -120.746 GPRESSURE: 4769600 -547.966 -93.8457 -168.489 -128.024 -450.204 -517.438 -126.874 -366.842 -107.876 PRESSAVG: 4769600 -15.8454 -21.7157 41.6607 -21.7157 -0.0471166 -6.69335 41.6607 -6.69335 28.7267 GPRESSAVG: 4769600 -16.5364 -19.9082 43.3546 -19.6787 0.105719 -5.63484 41.4893 -3.06287 29.1486 TIMING: 4769600 CPU: 15125.8, 0.00312781/step Wall: 15125.8, 0.00312781/step, 0.20018 hours remaining, 240.343750 MB of memory in use. ENERGY: 4769600 4048.8054 20511.0973 14542.9594 248.5074 -203205.2349 2003.2346 0.0000 0.0000 51754.3611 -110096.2696 297.4330 -161850.6307 -109729.4344 298.4173 -385.4166 -368.6819 762586.2579 4.2781 4.2393 PRESSURE: 4769800 -60.6799 -13.8233 47.0349 -13.8242 -228.05 112.658 47.0347 112.658 -140.577 GPRESSURE: 4769800 21.9308 -160.832 94.6661 81.4463 -245.797 151.489 32.5188 93.419 -132.029 PRESSAVG: 4769800 -25.8073 47.6178 36.0644 47.6178 17.4644 2.02586 36.0645 2.02597 -0.0235143 GPRESSAVG: 4769800 -24.8164 44.8183 35.2159 45.1899 15.6105 3.37332 35.4283 -0.429842 0.516033 TIMING: 4769800 CPU: 15126.5, 0.00313634/step Wall: 15126.5, 0.00313634/step, 0.200551 hours remaining, 240.343750 MB of memory in use. ENERGY: 4769800 3987.5978 20406.3542 14459.0718 255.7115 -203783.4630 2482.3923 0.0000 0.0000 51957.8454 -110234.4901 298.6025 -162192.3355 -109874.7793 297.2286 -143.1020 -118.6318 761052.3876 -2.7888 -2.8966 PRESSURE: 4770000 -161.748 -20.8864 30.988 -20.8867 -155.845 14.5589 30.9873 14.5572 -249 GPRESSURE: 4770000 -117.39 -39.7617 73.0367 143.53 -62.7827 -62.6417 -62.7474 -75.1405 -283.425 PRESSAVG: 4770000 1.96808 13.3135 6.95792 13.3134 5.1876 -0.998234 6.95791 -0.998122 22.8106 GPRESSAVG: 4770000 0.526998 15.1669 7.90654 13.8809 7.24173 -1.65588 7.20469 0.917158 22.5441 TIMING: 4770000 CPU: 15127.1, 0.00313157/step Wall: 15127.1, 0.00313157/step, 0.200073 hours remaining, 240.343750 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: 4770000 4002.9781 20529.8601 14454.5467 251.5828 -203897.2969 2630.0738 0.0000 0.0000 51733.1134 -110295.1422 297.3109 -162028.2556 -109937.9860 297.4835 -188.8644 -154.5329 759373.1217 9.9888 10.1043 PRESSURE: 4770200 145.432 -173.857 157.111 -173.857 121.721 157.112 157.111 157.111 49.7645 GPRESSURE: 4770200 287.341 -64.266 178.318 -255.998 47.7916 114.376 81.5506 212.72 72.9653 PRESSAVG: 4770200 -14.9192 59.4667 20.9106 59.4666 37.3178 11.1693 20.9107 11.1693 -11.1916 GPRESSAVG: 4770200 -15.0374 58.4083 19.709 61.8369 36.7265 10.482 20.2116 9.4833 -10.8369 TIMING: 4770200 CPU: 15127.7, 0.00312275/step Wall: 15127.7, 0.00312275/step, 0.199335 hours remaining, 240.343750 MB of memory in use. ENERGY: 4770200 3938.4895 20597.7571 14393.4483 237.0524 -203818.6431 2694.1360 0.0000 0.0000 51882.4742 -110075.2857 298.1693 -161957.7599 -109717.3151 297.8440 105.6394 136.0326 761081.0538 3.7357 3.6174 PRESSURE: 4770400 -244.579 -82.6049 -12.1962 -82.6052 -411.346 145.713 -12.1973 145.714 -41.1154 GPRESSURE: 4770400 -245.634 -161.914 -68.2328 -11.6036 -344.173 115.434 4.79271 101.161 -17.9033 PRESSAVG: 4770400 8.77919 -6.65794 20.0038 -6.65789 19.061 40.5937 20.0038 40.5937 7.11984 GPRESSAVG: 4770400 10.3615 -4.94858 19.4017 -7.13953 18.6174 42.0576 20.7629 41.2701 6.60214 TIMING: 4770400 CPU: 15128.3, 0.00314563/step Wall: 15128.3, 0.00314563/step, 0.200621 hours remaining, 240.343750 MB of memory in use. ENERGY: 4770400 3994.2195 20486.0647 14486.7335 253.1396 -203706.5374 2753.8390 0.0000 0.0000 51729.1165 -110003.4247 297.2879 -161732.5413 -109643.8816 298.6136 -232.3468 -202.5700 761173.0965 11.6533 11.8603 PRESSURE: 4770600 -371.525 0.478733 -160.666 0.479271 132.255 112.53 -160.666 112.531 314.132 GPRESSURE: 4770600 -219.995 -10.8452 -243.656 -152.474 131.06 178.421 -140.799 58.6495 217.465 PRESSAVG: 4770600 -4.31916 45.0178 61.6791 45.0178 23.3805 32.9325 61.6792 32.9326 -5.00397 GPRESSAVG: 4770600 -3.98366 44.4468 62.1962 43.1816 25.0124 33.5152 61.4871 32.5688 -6.45145 TIMING: 4770600 CPU: 15129, 0.00313809/step Wall: 15129, 0.00313809/step, 0.199966 hours remaining, 240.343750 MB of memory in use. ENERGY: 4770600 3961.3777 20484.3005 14438.0152 229.6294 -203943.0877 2598.2140 0.0000 0.0000 52180.4366 -110051.1144 299.8817 -162231.5510 -109689.5656 298.4567 24.9543 42.8434 760210.1359 4.6858 4.8591 PRESSURE: 4770800 291.485 -101.669 48.2669 -101.668 376.142 153.112 48.2665 153.111 352.235 GPRESSURE: 4770800 192.918 -91.4773 37.7194 -22.563 500.287 143.949 34.2793 146.876 396.338 PRESSAVG: 4770800 -9.23089 48.0545 -54.8229 48.0546 9.74421 50.6438 -54.8229 50.6437 9.082 GPRESSAVG: 4770800 -9.82984 48.8799 -55.2393 48.4065 8.57547 48.9737 -56.7456 50.045 10.9449 TIMING: 4770800 CPU: 15129.6, 0.00314359/step Wall: 15129.6, 0.00314359/step, 0.200142 hours remaining, 240.343750 MB of memory in use. ENERGY: 4770800 3994.1044 20603.9017 14494.1133 241.1691 -203837.5039 2783.4674 0.0000 0.0000 51751.6825 -109969.0654 297.4176 -161720.7479 -109608.9823 298.6370 339.9539 363.1810 759616.1112 3.1984 3.2302 PRESSURE: 4771000 -89.7312 -81.0869 36.9633 -81.0881 -207.062 -180.025 36.9626 -180.026 -140.201 GPRESSURE: 4771000 -54.3339 6.94775 103.977 -38.1016 -209.618 -94.625 -9.32166 -151.355 -116.347 PRESSAVG: 4771000 -17.2607 44.8478 -39.6531 44.8477 51.9253 26.3164 -39.6531 26.3164 27.0759 GPRESSAVG: 4771000 -18.0408 44.1503 -39.2068 46.0975 53.7264 25.9202 -40.4501 25.9686 26.6854 TIMING: 4771000 CPU: 15130.2, 0.00310594/step Wall: 15130.2, 0.00310594/step, 0.197573 hours remaining, 240.343750 MB of memory in use. ENERGY: 4771000 3990.2178 20620.3975 14484.9953 239.2993 -203623.5331 2372.9028 0.0000 0.0000 51947.2799 -109968.4405 298.5417 -161915.7204 -109605.1108 298.2775 -145.6648 -126.7664 760571.3232 20.5802 20.7904 PRESSURE: 4771200 -181.576 158.375 -342.709 158.374 -22.6025 73.914 -342.708 73.9138 -112.662 GPRESSURE: 4771200 -129.464 130.266 -318.374 98.6236 -7.96559 48.0618 -234.741 124.918 -106.166 PRESSAVG: 4771200 22.0281 68.8367 -55.5241 68.8366 -5.59031 28.3479 -55.5241 28.3479 5.34943 GPRESSAVG: 4771200 23.6963 69.399 -56.1781 66.036 -6.09667 31.0931 -53.0422 28.7862 4.60351 TIMING: 4771200 CPU: 15130.8, 0.00310675/step Wall: 15130.8, 0.00310675/step, 0.197451 hours remaining, 240.343750 MB of memory in use. ENERGY: 4771200 3967.3312 20340.8885 14451.1830 229.8314 -203510.7546 2633.7436 0.0000 0.0000 52293.3485 -109594.4284 300.5306 -161887.7769 -109226.4110 298.8645 -105.6134 -81.1987 760879.1883 7.2624 7.4011 PRESSURE: 4771400 222.049 -40.9956 120.059 -40.9959 -221.581 206.889 120.06 206.889 -484.008 GPRESSURE: 4771400 290.591 -93.9734 38.4576 91.5306 -84.85 160.608 178.374 140.301 -616.267 PRESSAVG: 4771400 44.8102 -21.928 -7.11356 -21.928 -40.6995 40.0138 -7.1135 40.0137 -34.0196 GPRESSAVG: 4771400 45.0273 -22.5269 -7.34917 -20.12 -41.3129 36.9439 -5.58147 40.277 -33.8383 TIMING: 4771400 CPU: 15131.5, 0.00311669/step Wall: 15131.5, 0.00311669/step, 0.19791 hours remaining, 240.343750 MB of memory in use. ENERGY: 4771400 3968.8583 20515.0219 14542.4426 257.8618 -203915.6221 2947.0359 0.0000 0.0000 52115.1000 -109569.3016 299.5062 -161684.4015 -109208.9008 299.2196 -161.1801 -136.8419 763241.5620 -9.9696 -10.0413 PRESSURE: 4771600 362.489 -87.8206 -62.6056 -87.8214 183.833 84.6678 -62.6055 84.6675 364.652 GPRESSURE: 4771600 452.839 -80.6686 -89.9534 -136.423 160.477 105.716 -151.742 62.7262 384.429 PRESSAVG: 4771600 37.455 -28.2429 -89.9412 -28.2429 6.63485 -4.03565 -89.9413 -4.03563 -10.6541 GPRESSAVG: 4771600 36.8456 -29.0929 -89.1231 -28.1816 6.05632 -3.45748 -90.8605 -2.78508 -9.56934 TIMING: 4771600 CPU: 15132.1, 0.00310923/step Wall: 15132.1, 0.00310923/step, 0.197264 hours remaining, 240.343750 MB of memory in use. ENERGY: 4771600 3966.4781 20505.2254 14429.1712 232.6614 -203968.8983 3002.0768 0.0000 0.0000 52191.5416 -109641.7438 299.9455 -161833.2854 -109273.8908 299.4370 303.6579 332.5818 762027.4254 11.1452 11.1109 PRESSURE: 4771800 -342.213 123.593 -54.62 123.594 -46.3921 217.147 -54.6208 217.146 -176.903 GPRESSURE: 4771800 -314.485 85.679 -77.3176 56.0636 -41.7063 306.756 2.25501 108.618 -143.208 PRESSAVG: 4771800 -22.0895 -56.6327 -20.7262 -56.6327 -2.20343 -48.0831 -20.7263 -48.0831 28.9293 GPRESSAVG: 4771800 -21.5262 -56.044 -21.2403 -57.8598 -1.61989 -47.8894 -22.0934 -50.05 28.3806 TIMING: 4771800 CPU: 15132.7, 0.00312687/step Wall: 15132.7, 0.00312687/step, 0.198209 hours remaining, 240.343750 MB of memory in use. ENERGY: 4771800 4050.3946 20510.7228 14498.8616 243.0453 -203665.9764 2746.9660 0.0000 0.0000 52236.7396 -109379.2465 300.2053 -161615.9860 -109004.5814 299.4168 -188.5025 -166.4665 762299.3650 1.5455 1.7448 PRESSURE: 4772000 214.271 -199.39 143.823 -199.39 -252.067 -110.78 143.823 -110.78 -4.91112 GPRESSURE: 4772000 233.295 -241.737 140.441 -188.779 -249.746 -125.43 206.864 -1.3314 32.5991 PRESSAVG: 4772000 -14.1647 -11.3205 12.829 -11.3205 10.8109 -12.5174 12.829 -12.5174 8.5979 GPRESSAVG: 4772000 -14.4654 -11.9347 12.5329 -10.2392 11.173 -11.5197 14.4551 -11.0807 8.43165 TIMING: 4772000 CPU: 15133.3, 0.00313253/step Wall: 15133.3, 0.00313253/step, 0.198394 hours remaining, 240.343750 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: 4772000 3930.4900 20632.8808 14477.0518 254.2635 -203354.7462 2594.5756 0.0000 0.0000 51988.4006 -109477.0838 298.7781 -161465.4844 -109114.5577 299.5454 -14.2357 5.3827 762680.5190 1.7480 1.7131 PRESSURE: 4772200 -566.371 78.2347 -96.6688 78.235 306.392 -225.596 -96.6684 -225.595 -32.8564 GPRESSURE: 4772200 -466.031 -7.40089 -103.337 -8.71749 236.901 -227.091 -149.137 -267.633 19.7032 PRESSAVG: 4772200 -26.6746 -1.61514 -30.5137 -1.61511 45.6598 5.8211 -30.5138 5.82113 2.28626 GPRESSAVG: 4772200 -26.8571 1.20824 -30.2799 -3.30542 46.2442 4.48684 -32.0745 6.73208 1.59908 TIMING: 4772200 CPU: 15134, 0.00312311/step Wall: 15134, 0.00312311/step, 0.197624 hours remaining, 240.343750 MB of memory in use. ENERGY: 4772200 4005.1215 20728.8109 14528.4447 247.0477 -203560.7935 2700.0389 0.0000 0.0000 51905.8061 -109445.5238 298.3034 -161351.3298 -109090.7010 299.7720 -97.6117 -69.8088 761618.3650 7.0905 6.9954 LDB: ============= START OF LOAD BALANCING ============== 15146.4 LDB: ============== END OF LOAD BALANCING =============== 15146.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15146.4 LDB: ============= START OF LOAD BALANCING ============== 15146.7 LDB: Largest compute 7069 load 0.033733 is 17.3% of average load 0.195552 LDB: Average compute 0.004358 is 2.2% of average load 0.195552 LDB: TIME 15146.7 LOAD: AVG 0.195552 MAX 0.21958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 15146.7 LOAD: AVG 0.195552 MAX 0.21958 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: TIME 15146.7 LOAD: AVG 0.195552 MAX 0.215395 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.094 MB LDB: ============== END OF LOAD BALANCING =============== 15146.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15146.7 PRESSURE: 4772400 -415.985 -27.8645 96.0333 -27.8639 295.753 101.206 96.0332 101.206 204.252 GPRESSURE: 4772400 -247.409 -97.5134 70.5813 -113.751 241.926 139.181 28.1795 77.2561 187.225 PRESSAVG: 4772400 -27.7606 -60.2805 -39.5731 -60.2806 43.8386 31.8038 -39.5731 31.8038 11.6128 GPRESSAVG: 4772400 -26.7714 -62.4631 -39.5318 -57.2598 43.1611 32.4884 -41.5233 30.5523 11.0925 TIMING: 4772400 CPU: 15134.6, 0.00319287/step Wall: 15134.6, 0.00319287/step, 0.20186 hours remaining, 239.324219 MB of memory in use. ENERGY: 4772400 3988.3707 20403.5986 14534.7912 233.0306 -203746.8792 2777.5374 0.0000 0.0000 52403.7336 -109405.8170 301.1650 -161809.5506 -109035.0623 299.8475 28.0066 60.5806 762529.3255 9.2303 9.1607 PRESSURE: 4772600 53.594 -110.133 71.4518 -110.134 -209.006 300.391 71.451 300.391 -370.773 GPRESSURE: 4772600 41.388 -183.777 99.5164 -34.2272 -161.418 229.917 47.7002 242.428 -299.042 PRESSAVG: 4772600 -15.3236 -27.0295 -43.0639 -27.0294 8.05751 20.8752 -43.064 20.8753 -11.4074 GPRESSAVG: 4772600 -17.3145 -28.534 -43.2185 -28.7061 8.59594 20.661 -40.4696 22.3101 -9.8333 TIMING: 4772600 CPU: 15135.2, 0.00314118/step Wall: 15135.2, 0.00314119/step, 0.198418 hours remaining, 239.527344 MB of memory in use. ENERGY: 4772600 3976.5517 20535.5034 14561.4737 238.8185 -203226.0829 2603.2301 0.0000 0.0000 52060.3101 -109250.1955 299.1913 -161310.5056 -108891.7800 299.6461 -175.3951 -139.6906 761643.9373 -6.2245 -6.1839 PRESSURE: 4772800 -163.028 70.6046 -164.031 70.6039 48.0737 94.9459 -164.031 94.9465 -138.824 GPRESSURE: 4772800 -170.675 -49.119 -291.477 100.183 160.382 32.9529 -180.374 88.2094 -174.693 PRESSAVG: 4772800 -32.7371 -13.2555 -4.92964 -13.2555 35.6063 12.2845 -4.92959 12.2845 -18.1064 GPRESSAVG: 4772800 -32.0877 -10.5483 -7.21307 -14.9463 34.7253 12.856 -2.46693 12.45 -17.7798 TIMING: 4772800 CPU: 15135.9, 0.00314472/step Wall: 15135.9, 0.00314472/step, 0.198467 hours remaining, 239.527344 MB of memory in use. ENERGY: 4772800 4000.3396 20705.4921 14498.7070 248.0832 -203192.8320 2362.0929 0.0000 0.0000 52114.8984 -109263.2189 299.5050 -161378.1173 -108897.4158 300.2710 -84.5928 -61.6620 761489.5629 -5.0791 -5.0474 PRESSURE: 4773000 10.6291 -71.4635 -0.867046 -71.464 -184.187 -1.95073 -0.867269 -1.95102 -174.53 GPRESSURE: 4773000 -31.1393 -73.5185 20.1585 -4.06417 -59.2753 43.9028 31.77 -44.8257 -184.303 PRESSAVG: 4773000 12.5012 -21.0055 16.1668 -21.0054 -17.9303 3.67654 16.1667 3.67656 -0.923636 GPRESSAVG: 4773000 12.4264 -23.8284 18.1313 -18.0959 -17.215 4.01242 13.0613 0.741326 -1.30557 TIMING: 4773000 CPU: 15136.5, 0.00316923/step Wall: 15136.5, 0.00316923/step, 0.199837 hours remaining, 239.527344 MB of memory in use. ENERGY: 4773000 3993.3498 20429.4606 14516.7640 234.1296 -203552.8064 2529.1828 0.0000 0.0000 52393.6982 -109456.2215 301.1073 -161849.9197 -109085.2484 299.5471 -116.0293 -91.5727 761378.3672 -2.1176 -2.0314 PRESSURE: 4773200 98.3231 117.431 127.248 117.432 252.133 -106.841 127.248 -106.841 127.665 GPRESSURE: 4773200 116.074 146.593 130.907 153.41 263.456 -56.6725 124.917 -91.3743 182.165 PRESSAVG: 4773200 -6.57877 -33.7377 -29.8479 -33.7377 22.8397 -13.852 -29.8479 -13.852 -28.7918 GPRESSAVG: 4773200 -6.60155 -30.3627 -30.267 -34.0597 24.1466 -15.2444 -29.6719 -10.802 -29.8511 TIMING: 4773200 CPU: 15137.1, 0.00315452/step Wall: 15137.1, 0.00315452/step, 0.198735 hours remaining, 239.527344 MB of memory in use. ENERGY: 4773200 4039.5359 20485.5467 14475.5854 257.3578 -203825.5641 2946.3211 0.0000 0.0000 52305.9275 -109315.2897 300.6029 -161621.2172 -108944.6878 299.4422 159.3735 187.2320 763070.4584 -4.1769 -4.1020 PRESSURE: 4773400 -48.9417 -136.069 25.4772 -136.068 -105.371 -51.3945 25.4772 -51.3951 -197.883 GPRESSURE: 4773400 -50.8101 -133.916 -26.7312 -209.584 -73.5614 -84.6625 -19.3561 -88.4091 -148.026 PRESSAVG: 4773400 -51.1235 -21.6491 5.97621 -21.6492 0.923686 -21.9481 5.97625 -21.948 13.518 GPRESSAVG: 4773400 -52.0856 -22.5307 6.06885 -22.7422 0.75469 -21.2165 5.47047 -23.2052 14.7678 TIMING: 4773400 CPU: 15137.8, 0.00313933/step Wall: 15137.8, 0.00313933/step, 0.197604 hours remaining, 239.527344 MB of memory in use. ENERGY: 4773400 3989.4061 20497.4628 14555.8269 231.3049 -203312.8135 2574.3114 0.0000 0.0000 52146.7841 -109317.7172 299.6883 -161464.5013 -108954.0262 299.4508 -117.3985 -90.7992 762769.9605 -12.2273 -12.1877 PRESSURE: 4773600 -28.4979 7.72087 93.7393 7.72105 -368.731 121.125 93.739 121.125 -219.657 GPRESSURE: 4773600 74.5898 36.9527 76.6051 48.7729 -286.675 208.303 50.1802 9.0881 -324.428 PRESSAVG: 4773600 12.4053 -56.2941 37.1811 -56.2942 -3.70506 9.88689 37.181 9.88691 -16.8251 GPRESSAVG: 4773600 13.1905 -56.6935 37.8326 -56.4381 -4.74233 11.6999 37.7128 8.06412 -16.0581 TIMING: 4773600 CPU: 15138.4, 0.00314036/step Wall: 15138.4, 0.00314036/step, 0.197494 hours remaining, 239.527344 MB of memory in use. ENERGY: 4773600 4153.2234 20579.4403 14426.8195 237.9204 -203329.2110 2568.6264 0.0000 0.0000 51926.5458 -109436.6352 298.4226 -161363.1810 -109086.4500 300.0903 -205.6286 -178.8376 762609.9223 -2.7083 -2.5366 PRESSURE: 4773800 -197.629 70.2602 -111.765 70.261 -213.37 -247.762 -111.765 -247.762 -238.621 GPRESSURE: 4773800 -173.938 138.379 -22.721 9.82377 -157.831 -263.182 -179.392 -236.808 -244.424 PRESSAVG: 4773800 -42.1463 -114.39 23.3851 -114.39 15.3153 -17.2496 23.3851 -17.2496 38.9363 GPRESSAVG: 4773800 -42.3169 -116.359 23.0226 -113.628 16.8484 -17.5304 23.6293 -15.8317 37.3216 TIMING: 4773800 CPU: 15139, 0.00312472/step Wall: 15139, 0.00312472/step, 0.196336 hours remaining, 239.527344 MB of memory in use. ENERGY: 4773800 3998.8344 20511.0616 14497.7115 220.7108 -203561.4991 2645.3096 0.0000 0.0000 52124.0495 -109563.8217 299.5576 -161687.8712 -109192.3983 299.6811 -216.5399 -192.0643 760993.3960 4.0351 3.9511 PRESSURE: 4774000 -56.1759 112.712 -87.5321 112.712 -111.867 -259.888 -87.5319 -259.889 255.362 GPRESSURE: 4774000 -23.7255 56.9932 -37.7098 120.49 -65.5152 -260.705 -15.4767 -214.531 259.416 PRESSAVG: 4774000 36.3344 -86.2631 51.9928 -86.2631 -24.9241 -85.2166 51.9928 -85.2165 -17.5669 GPRESSAVG: 4774000 36.49 -83.2342 53.4897 -86.6789 -25.2924 -87.5769 52.9546 -84.0606 -17.801 TIMING: 4774000 CPU: 15139.6, 0.00313982/step Wall: 15139.6, 0.00313982/step, 0.197111 hours remaining, 239.527344 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: 4774000 4073.5893 20630.5846 14488.3537 230.0124 -203895.6432 2809.4713 0.0000 0.0000 52305.2233 -109358.4086 300.5988 -161663.6319 -108993.2772 299.5126 29.1065 56.7251 763305.9813 -2.0522 -2.2011 PRESSURE: 4774200 -326.893 -114.204 44.8485 -114.204 -191.349 104.522 44.8484 104.522 -239.985 GPRESSURE: 4774200 -324.597 3.53271 37.1019 -4.42172 -138.137 124.126 -39.3947 113.748 -213.047 PRESSAVG: 4774200 31.3006 -14.0288 23.4788 -14.0288 6.19124 -8.19663 23.4788 -8.1966 4.06001 GPRESSAVG: 4774200 31.1923 -15.2568 23.2038 -13.4831 5.34814 -7.61633 21.3505 -9.1513 5.58609 TIMING: 4774200 CPU: 15140.3, 0.00314867/step Wall: 15140.3, 0.00314867/step, 0.197492 hours remaining, 239.527344 MB of memory in use. ENERGY: 4774200 4062.6800 20601.7473 14479.6670 244.8820 -203535.9176 2593.9201 0.0000 0.0000 52106.8942 -109446.1270 299.4590 -161553.0212 -109089.9158 300.1090 -252.7423 -225.2605 761272.4077 13.8506 14.0422 PRESSURE: 4774400 -77.4886 -30.5909 41.7547 -30.5913 -194.904 180.261 41.7556 180.262 71.9134 GPRESSURE: 4774400 4.33308 12.7744 85.3484 54.9863 -222.372 48.6193 -106.766 307.976 94.5808 PRESSAVG: 4774400 -1.22846 -33.7298 24.0493 -33.7298 1.93817 -9.0464 24.0492 -9.04648 3.97687 GPRESSAVG: 4774400 -1.35908 -33.7725 24.3867 -33.2242 2.93627 -10.8611 23.7866 -8.23242 3.32197 TIMING: 4774400 CPU: 15140.9, 0.00314492/step Wall: 15140.9, 0.00314492/step, 0.197081 hours remaining, 239.527344 MB of memory in use. ENERGY: 4774400 4076.1363 20374.1238 14619.2019 242.7233 -203041.1138 2341.6540 0.0000 0.0000 52193.4542 -109193.8202 299.9565 -161387.2745 -108827.6819 299.9341 -66.8266 -41.1528 759409.0416 1.5622 1.6331 PRESSURE: 4774600 -531.407 -99.9238 98.6921 -99.9239 -304.69 -104.442 98.6918 -104.442 71.9922 GPRESSURE: 4774600 -444.952 -64.4217 -14.8383 -171.4 -303.179 -128.274 141.04 -95.7522 45.6003 PRESSAVG: 4774600 41.8503 -71.0944 -9.87756 -71.0944 -32.3884 -65.2619 -9.87758 -65.262 -2.45374 GPRESSAVG: 4774600 43.8918 -71.1724 -10.2868 -70.7516 -32.6296 -63.3356 -10.5759 -65.0866 -3.8849 TIMING: 4774600 CPU: 15141.5, 0.0031403/step Wall: 15141.5, 0.0031403/step, 0.196618 hours remaining, 239.527344 MB of memory in use. ENERGY: 4774600 3959.6329 20496.1903 14487.7563 238.7556 -203342.3829 2456.7247 0.0000 0.0000 52183.3256 -109519.9974 299.8983 -161703.3230 -109158.5954 299.6105 -254.7017 -234.1769 760429.6447 2.3361 2.4591 PRESSURE: 4774800 56.9761 -292.161 72.7299 -292.162 -182.846 -71.5799 72.73 -71.5798 -70.7898 GPRESSURE: 4774800 -17.5076 -386.104 -33.7302 -158.593 -119.657 -93.1647 194.387 -95.8319 41.6205 PRESSAVG: 4774800 11.5136 -33.2471 27.9316 -33.2471 -13.1184 1.62287 27.9316 1.62295 -16.6569 GPRESSAVG: 4774800 10.2329 -32.9885 27.2211 -33.5339 -12.9534 1.31773 29.1567 1.19162 -15.5164 TIMING: 4774800 CPU: 15142.1, 0.00310475/step Wall: 15142.1, 0.00310475/step, 0.194219 hours remaining, 239.527344 MB of memory in use. ENERGY: 4774800 3952.4087 20619.3816 14461.3834 231.2345 -203231.0693 2401.0079 0.0000 0.0000 51829.7619 -109735.8915 297.8664 -161565.6533 -109371.4773 298.8882 -65.5533 -31.8480 760654.9568 -6.0873 -6.0790 PRESSURE: 4775000 -236.173 -2.14403 109.508 -2.14436 -207.42 -303.237 109.508 -303.238 -250.334 GPRESSURE: 4775000 -235.295 27.0326 72.8549 -32.1703 -135.482 -222.227 119.272 -198.48 -237.486 PRESSAVG: 4775000 -20.7326 -35.0743 18.5171 -35.0743 -33.3548 73.6992 18.517 73.6992 1.42362 GPRESSAVG: 4775000 -21.1913 -34.1645 19.9421 -36.2986 -33.3227 74.9569 19.6607 71.0434 2.06177 TIMING: 4775000 CPU: 15142.8, 0.00311457/step Wall: 15142.8, 0.00311457/step, 0.194661 hours remaining, 239.527344 MB of memory in use. ENERGY: 4775000 4012.7599 20397.9349 14483.6466 238.2203 -202733.1285 1999.8931 0.0000 0.0000 52168.9191 -109431.7546 299.8155 -161600.6737 -109063.0797 299.4552 -231.3091 -202.7541 761479.8322 -17.5546 -17.4841 PRESSURE: 4775200 7.89719 -38.9164 -78.5964 -38.9163 -10.2934 70.077 -78.597 70.0767 -120.537 GPRESSURE: 4775200 70.4767 -36.0996 -119.285 -24.2042 15.3167 60.759 -85.8467 87.4482 -123.817 PRESSAVG: 4775200 -17.9165 -15.053 76.6759 -15.053 -14.7256 41.4121 76.6758 41.4121 -2.24167 GPRESSAVG: 4775200 -17.2709 -16.9429 75.8714 -14.8341 -14.1407 40.2076 76.6177 44.2275 -3.57037 TIMING: 4775200 CPU: 15143.4, 0.00315689/step Wall: 15143.4, 0.00315689/step, 0.19713 hours remaining, 239.527344 MB of memory in use. ENERGY: 4775200 3966.9163 20528.3473 14477.3846 240.9228 -203099.8389 2349.5532 0.0000 0.0000 52050.2363 -109486.4784 299.1334 -161536.7147 -109128.8480 299.1384 -40.9778 -12.6744 760924.1424 -11.6279 -11.6607 PRESSURE: 4775400 29.5583 202.276 86.1574 202.276 6.7056 -81.8082 86.1581 -81.8073 246.886 GPRESSURE: 4775400 56.7935 198.546 81.5451 138.579 19.4354 -77.6485 16.6254 -92.3103 287.738 PRESSAVG: 4775400 10.0391 -44.9278 -22.7908 -44.9278 21.7697 28.0951 -22.7908 28.0952 7.33956 GPRESSAVG: 4775400 8.72516 -44.9581 -21.9487 -45.6384 22.1616 30.1018 -23.2234 28.3325 8.614 TIMING: 4775400 CPU: 15144, 0.00315247/step Wall: 15144, 0.00315247/step, 0.196679 hours remaining, 239.527344 MB of memory in use. ENERGY: 4775400 3961.4413 20424.9627 14447.8602 250.7641 -203077.4354 2308.0082 0.0000 0.0000 52198.4928 -109485.9062 299.9855 -161684.3989 -109127.8044 298.9495 94.3835 121.3223 758521.6126 13.0494 13.1669 PRESSURE: 4775600 23.3637 91.1304 271.586 91.1297 -1.92593 -226.489 271.586 -226.488 -165.001 GPRESSURE: 4775600 29.5969 124.093 208.711 23.4969 71.9759 -207.365 209.076 -152.576 -156.134 PRESSAVG: 4775600 17.3495 -86.1816 9.60915 -86.1817 58.5647 44.6687 9.60916 44.6687 5.15644 GPRESSAVG: 4775600 18.0758 -84.8949 7.63296 -86.3032 57.7251 44.1063 9.66776 43.9549 5.20563 TIMING: 4775600 CPU: 15144.7, 0.00312078/step Wall: 15144.7, 0.00312078/step, 0.194529 hours remaining, 239.527344 MB of memory in use. ENERGY: 4775600 3987.7642 20497.4331 14449.7699 239.4984 -203016.5760 2431.7926 0.0000 0.0000 51970.0514 -109440.2664 298.6726 -161410.3178 -109070.1510 299.5273 -47.8545 -18.1869 759698.2297 27.0236 27.0022 PRESSURE: 4775800 -134.095 19.8557 370.048 19.8563 370.853 80.5137 370.048 80.5125 186.007 GPRESSURE: 4775800 -71.5784 -50.3836 433.767 44.9101 400.969 95.8278 490.653 128.113 174.414 PRESSAVG: 4775800 49.9417 -2.01684 28.1828 -2.01693 9.86331 33.6607 28.1828 33.6606 -15.2851 GPRESSAVG: 4775800 49.1835 -4.19988 29.9359 -0.437331 10.7699 32.943 28.5609 34.1712 -15.7819 TIMING: 4775800 CPU: 15145.3, 0.00314657/step Wall: 15145.3, 0.00314657/step, 0.195961 hours remaining, 239.527344 MB of memory in use. ENERGY: 4775800 3973.1906 20443.9185 14487.9309 243.1765 -203136.5759 2523.8598 0.0000 0.0000 52003.2886 -109461.2110 298.8636 -161464.4996 -109100.0664 299.6999 140.9218 167.9349 760868.6586 14.8400 14.7238 PRESSURE: 4776000 -315.06 9.43153 -128.519 9.43224 89.1025 176.365 -128.52 176.366 132.421 GPRESSURE: 4776000 -267.786 -58.8942 -62.9876 -67.9546 92.4935 139.142 -63.597 179.328 173.336 PRESSAVG: 4776000 -52.6029 -28.8031 -10.3687 -28.803 37.753 46.8017 -10.3687 46.8017 0.664302 GPRESSAVG: 4776000 -52.9489 -29.5257 -10.1046 -31.9805 37.6565 46.274 -9.91154 47.0526 0.973648 TIMING: 4776000 CPU: 15145.9, 0.00311589/step Wall: 15145.9, 0.0031159/step, 0.193878 hours remaining, 239.527344 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: 4776000 3970.0506 20524.1073 14502.1813 246.4381 -203322.6083 2607.0233 0.0000 0.0000 52005.2673 -109467.5403 298.8750 -161472.8076 -109104.0174 299.5113 -31.1788 -0.6521 761733.2723 -4.7285 -4.7729 PRESSURE: 4776200 -328.029 -167.795 66.6059 -167.794 58.5843 -47.2684 66.6053 -47.2677 125.221 GPRESSURE: 4776200 -206.496 -158.787 3.18255 -52.3341 48.2723 -18.9459 31.2248 -27.9543 93.0286 PRESSAVG: 4776200 -77.3169 -65.5217 58.016 -65.5217 46.992 51.4706 58.0161 51.4706 -1.69677 GPRESSAVG: 4776200 -77.5435 -65.7065 58.2106 -63.2576 46.996 52.6809 58.6886 48.582 -1.05683 TIMING: 4776200 CPU: 15146.5, 0.00311717/step Wall: 15146.5, 0.00311717/step, 0.193784 hours remaining, 239.527344 MB of memory in use. ENERGY: 4776200 3979.3260 20539.1317 14445.8528 239.3841 -203311.6835 2620.1528 0.0000 0.0000 52269.8498 -109217.9863 300.3955 -161487.8362 -108853.8863 299.4542 -48.0748 -21.7317 761086.9943 -10.6739 -10.5348 LDB: ============= START OF LOAD BALANCING ============== 15159 LDB: ============== END OF LOAD BALANCING =============== 15159 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15159 LDB: ============= START OF LOAD BALANCING ============== 15159.3 LDB: Largest compute 7046 load 0.032050 is 16.4% of average load 0.195568 LDB: Average compute 0.004378 is 2.2% of average load 0.195568 LDB: TIME 15159.3 LOAD: AVG 0.195568 MAX 0.215922 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.832 MB LDB: TIME 15159.3 LOAD: AVG 0.195568 MAX 0.215922 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.902 MB LDB: TIME 15159.3 LOAD: AVG 0.195568 MAX 0.215922 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.902 MB LDB: ============== END OF LOAD BALANCING =============== 15159.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15159.3 PRESSURE: 4776400 387.256 -91.42 -185.085 -91.4192 153.409 -287.828 -185.086 -287.827 -44.5562 GPRESSURE: 4776400 415.691 -90.7069 -224.111 -15.8526 203.026 -281.13 -72.2219 -293.07 -19.6656 PRESSAVG: 4776400 -9.64596 -60.4766 -5.15942 -60.4766 32.8548 12.7691 -5.15938 12.7691 -6.79005 GPRESSAVG: 4776400 -8.43138 -59.875 -5.33817 -59.1991 32.4104 10.6583 -6.52782 13.4232 -6.98334 TIMING: 4776400 CPU: 15147.2, 0.00318801/step Wall: 15147.2, 0.00318801/step, 0.198011 hours remaining, 241.378906 MB of memory in use. ENERGY: 4776400 3993.7717 20646.5771 14487.0338 242.5756 -203274.8871 2631.9153 0.0000 0.0000 52246.0620 -109026.9516 300.2588 -161273.0135 -108665.4142 299.6450 165.3698 199.6838 761943.0303 5.4729 5.6652 PRESSURE: 4776600 -186.403 69.245 -191.139 69.2454 -149.01 105.79 -191.14 105.79 -235.262 GPRESSURE: 4776600 -239.744 118.111 -130.999 77.9481 -48.7247 79.8817 -167.67 172.163 -197.139 PRESSAVG: 4776600 41.8171 -45.8785 -20.3007 -45.8785 -33.9863 39.3789 -20.3007 39.3789 -16.8293 GPRESSAVG: 4776600 39.6611 -44.8212 -21.3736 -47.8866 -32.4747 40.4684 -19.15 40.7662 -16.3033 TIMING: 4776600 CPU: 15147.8, 0.0031209/step Wall: 15147.8, 0.0031209/step, 0.193669 hours remaining, 241.378906 MB of memory in use. ENERGY: 4776600 4044.3287 20514.8428 14473.3134 244.5953 -203060.9177 2511.6914 0.0000 0.0000 52115.8777 -109156.2684 299.5107 -161272.1461 -108798.4755 299.8953 -190.2251 -161.8690 762312.9396 -2.9995 -3.0389 PRESSURE: 4776800 145.118 -127.01 105.483 -127.009 105.127 9.55425 105.482 9.5534 -118.346 GPRESSURE: 4776800 168.341 -49.0118 110.112 -70.4247 92.9695 75.1508 168.25 19.3875 -48.5426 PRESSAVG: 4776800 25.5242 26.5596 -21.6739 26.5597 -17.2104 -0.909886 -21.674 -0.909822 3.35314 GPRESSAVG: 4776800 27.1511 27.3969 -21.4391 27.3876 -18.7442 -0.746452 -23.6741 -0.182198 3.16866 TIMING: 4776800 CPU: 15148.4, 0.00311688/step Wall: 15148.4, 0.00311688/step, 0.193247 hours remaining, 241.378906 MB of memory in use. ENERGY: 4776800 4041.1669 20705.0764 14372.5449 253.9669 -203655.5271 2861.4920 0.0000 0.0000 52085.3980 -109335.8820 299.3355 -161421.2800 -108973.0923 299.8244 43.9662 70.9228 759569.3634 3.8890 3.8585 PRESSURE: 4777000 -8.17378 -9.53985 -45.6469 -9.54068 62.876 -192.94 -45.6475 -192.938 -209.515 GPRESSURE: 4777000 58.9503 -5.61957 -98.0866 23.5167 33.8908 -201.052 -39.9226 -99.6493 -163.593 PRESSAVG: 4777000 -20.3969 -50.5853 -13.8715 -50.5853 -15.5017 2.41275 -13.8715 2.41274 0.0273452 GPRESSAVG: 4777000 -20.0835 -51.13 -12.3958 -52.5677 -15.556 0.817411 -12.5788 2.21461 -0.048786 TIMING: 4777000 CPU: 15149, 0.00313714/step Wall: 15149, 0.00313714/step, 0.194328 hours remaining, 241.378906 MB of memory in use. ENERGY: 4777000 4044.3204 20522.4624 14445.2364 254.3431 -203695.2544 2716.7841 0.0000 0.0000 52242.6734 -109469.4347 300.2394 -161712.1081 -109097.8240 299.3461 -51.6043 -23.5840 758974.3100 -11.9571 -11.8961 PRESSURE: 4777200 356.084 -37.6452 378.762 -37.6465 -147.151 129.618 378.762 129.617 1.78082 GPRESSURE: 4777200 278.575 30.2653 422.41 -81.2424 -35.1151 206.184 223.947 156.357 57.2031 PRESSAVG: 4777200 40.5934 -22.9428 4.14076 -22.9427 -59.7421 28.0853 4.14069 28.0852 -3.60035 GPRESSAVG: 4777200 38.9702 -22.0582 1.24731 -22.4651 -57.9691 29.7903 4.85496 26.771 -3.88423 TIMING: 4777200 CPU: 15149.7, 0.00315273/step Wall: 15149.7, 0.00315273/step, 0.195119 hours remaining, 241.378906 MB of memory in use. ENERGY: 4777200 3959.8823 20551.4001 14472.3625 244.0105 -204027.7589 2859.0340 0.0000 0.0000 52239.4446 -109701.6250 300.2208 -161941.0696 -109348.0625 299.8236 70.2378 100.2211 759054.3353 -7.5830 -7.6277 PRESSURE: 4777400 259.545 7.7719 -121.973 7.77176 45.0497 -10.1467 -121.972 -10.1458 -19.9221 GPRESSURE: 4777400 214.977 -6.63823 -70.1091 20.9567 104.613 -121.851 6.39722 45.6102 36.7233 PRESSAVG: 4777400 41.6169 -23.9108 54.5373 -23.9108 -52.7652 52.0497 54.5373 52.0498 -6.46241 GPRESSAVG: 4777400 41.658 -24.1389 55.5203 -21.6778 -53.0269 49.7335 54.033 52.2228 -5.82428 TIMING: 4777400 CPU: 15150.3, 0.00315266/step Wall: 15150.3, 0.00315266/step, 0.19494 hours remaining, 241.378906 MB of memory in use. ENERGY: 4777400 4019.1975 20439.3106 14477.8763 268.8361 -203561.7466 2393.3991 0.0000 0.0000 52233.3261 -109729.8009 300.1856 -161963.1270 -109359.8011 299.0022 94.8908 118.7711 760271.3324 -5.8702 -5.7310 PRESSURE: 4777600 141.881 29.6458 -83.5599 29.6458 -21.0921 -30.9973 -83.5605 -30.9979 81.0589 GPRESSURE: 4777600 154.083 28.5801 -113.65 -46.7222 85.0244 -142.012 -54.0397 56.9356 27.0239 PRESSAVG: 4777600 34.4739 24.9401 -54.4158 24.94 39.2581 50.0183 -54.4158 50.0183 10.8172 GPRESSAVG: 4777600 34.9146 24.5394 -53.4269 22.5238 39.0031 50.4818 -53.9536 52.2159 10.246 TIMING: 4777600 CPU: 15150.9, 0.0031427/step Wall: 15150.9, 0.0031427/step, 0.194149 hours remaining, 241.378906 MB of memory in use. ENERGY: 4777600 3932.7932 20592.1022 14508.6532 260.4028 -203789.1320 2899.2989 0.0000 0.0000 52043.7513 -109552.1304 299.0962 -161595.8817 -109180.3239 299.0953 67.2826 88.7104 758781.3381 28.1831 28.0546 PRESSURE: 4777800 -496.127 -102.759 -10.297 -102.759 -107.811 -138.928 -10.2969 -138.926 -80.4849 GPRESSURE: 4777800 -464.613 -116.768 -16.1922 -62.9372 49.1361 -206.416 17.0474 -45.1963 -149.678 PRESSAVG: 4777800 -4.44445 -11.6812 -105.115 -11.6812 26.856 14.7258 -105.115 14.7258 -12.8518 GPRESSAVG: 4777800 -4.48042 -11.7672 -105.74 -9.89272 26.6451 15.8875 -105.202 11.5776 -12.3003 TIMING: 4777800 CPU: 15151.6, 0.00315204/step Wall: 15151.6, 0.00315205/step, 0.194551 hours remaining, 241.378906 MB of memory in use. ENERGY: 4777800 4048.2711 20423.7402 14408.9873 267.6282 -203337.8997 2521.6427 0.0000 0.0000 52068.8058 -109598.8245 299.2401 -161667.6303 -109235.3354 299.2701 -228.1410 -188.3848 760568.6961 3.1866 3.2881 PRESSURE: 4778000 -235.007 173.567 -201.665 173.567 19.8455 74.1485 -201.665 74.1491 -291.605 GPRESSURE: 4778000 -155.715 267.536 -219.727 133.737 35.2391 54.0678 -176.98 121.438 -306.89 PRESSAVG: 4778000 -47.5178 2.79281 -42.3716 2.79275 33.8891 18.0091 -42.3716 18.0091 18.0281 GPRESSAVG: 4778000 -47.7976 4.03937 -43.3542 1.75637 35.3766 18.4518 -42.1405 19.6598 16.7588 TIMING: 4778000 CPU: 15152.2, 0.00313571/step Wall: 15152.2, 0.00313571/step, 0.193369 hours remaining, 241.378906 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: 4778000 3916.6651 20573.3434 14448.0878 233.7670 -203268.0384 2492.5727 0.0000 0.0000 51987.2142 -109616.3882 298.7712 -161603.6023 -109256.6136 299.0445 -168.9224 -142.4554 761811.8925 1.4665 1.4460 PRESSURE: 4778200 120.043 218.994 -301.245 218.993 -146.061 -172.324 -301.245 -172.324 -353.083 GPRESSURE: 4778200 173.045 23.7431 -256.39 185.224 -69.0653 -122.328 -293.228 -229.539 -418.401 PRESSAVG: 4778200 4.88706 -31.181 -67.4933 -31.181 40.0411 8.72564 -67.4933 8.72563 -14.9159 GPRESSAVG: 4778200 5.04519 -33.4684 -66.8702 -30.8177 38.542 8.33304 -68.8307 6.24132 -13.7635 TIMING: 4778200 CPU: 15152.8, 0.00313999/step Wall: 15152.8, 0.00313999/step, 0.193458 hours remaining, 241.378906 MB of memory in use. ENERGY: 4778200 4040.1390 20399.1870 14423.8539 237.2806 -202915.6092 2407.2718 0.0000 0.0000 51875.3612 -109532.5158 298.1284 -161407.8770 -109178.5870 299.1526 -126.3667 -104.8072 762550.2574 10.0041 9.9412 PRESSURE: 4778400 -260.01 25.1692 -14.1916 25.1691 56.2977 -180.617 -14.1913 -180.617 -248.8 GPRESSURE: 4778400 -254.14 10.1667 16.7487 23.3107 133.179 -121.895 -21.9758 -109.985 -226.77 PRESSAVG: 4778400 -1.53075 6.54812 -65.6961 6.5481 30.6487 -57.1947 -65.6961 -57.1946 16.0263 GPRESSAVG: 4778400 -1.7364 7.79226 -66.2278 3.94913 30.7141 -57.5539 -64.0663 -55.018 16.1042 TIMING: 4778400 CPU: 15153.4, 0.00314657/step Wall: 15153.4, 0.00314657/step, 0.193689 hours remaining, 241.378906 MB of memory in use. ENERGY: 4778400 3924.2794 20382.5386 14485.8469 242.5991 -203301.7794 2452.3436 0.0000 0.0000 52206.7197 -109607.4521 300.0327 -161814.1718 -109241.7149 299.3700 -150.8374 -115.9106 761633.0726 15.0481 15.0273 PRESSURE: 4778600 427.732 30.5079 -34.8955 30.5073 74.0426 -3.95641 -34.8954 -3.95761 -40.0264 GPRESSURE: 4778600 455.505 69.769 1.99996 93.7635 135.693 -21.4591 -49.9973 16.2562 -53.7289 PRESSAVG: 4778600 -17.5648 -11.0735 -52.6308 -11.0736 12.2096 25.9398 -52.6308 25.9398 -7.50943 GPRESSAVG: 4778600 -17.7275 -10.6609 -51.5986 -7.99941 11.9351 25.7933 -53.4188 26.6087 -7.46037 TIMING: 4778600 CPU: 15154.1, 0.00311053/step Wall: 15154.1, 0.00311053/step, 0.191298 hours remaining, 241.378906 MB of memory in use. ENERGY: 4778600 3983.2118 20471.2896 14528.2811 232.3001 -203937.5880 2777.4070 0.0000 0.0000 52113.0899 -109832.0085 299.4946 -161945.0984 -109482.3038 299.1166 153.9160 179.1564 759056.2599 -4.2882 -4.4176 PRESSURE: 4778800 -170.013 -110.078 -10.447 -110.079 45.0997 124.536 -10.4466 124.536 -268.346 GPRESSURE: 4778800 -129.619 -14.9552 -1.20394 -90.412 -16.4578 164.507 -170.171 52.0087 -155.596 PRESSAVG: 4778800 12.5561 9.31359 -30.9101 9.31364 -61.6495 9.55803 -30.9102 9.55806 3.29852 GPRESSAVG: 4778800 12.9576 10.256 -31.9243 7.77603 -61.332 11.2546 -31.6702 8.52719 2.39232 TIMING: 4778800 CPU: 15154.7, 0.0031202/step Wall: 15154.7, 0.0031202/step, 0.191719 hours remaining, 241.378906 MB of memory in use. ENERGY: 4778800 3968.1619 20491.5005 14456.3595 233.4614 -203540.9787 2614.6472 0.0000 0.0000 52161.6700 -109615.1783 299.7738 -161776.8483 -109262.2219 299.1406 -131.0862 -100.5578 762100.5864 -15.2650 -15.3274 PRESSURE: 4779000 50.6141 -31.4228 -65.4281 -31.423 -171.267 -104.624 -65.4277 -104.624 291.717 GPRESSURE: 4779000 94.3786 49.6273 -8.96933 1.87541 -80.2586 -115.781 -90.4479 -38.9786 244.186 PRESSAVG: 4779000 27.301 -41.4753 14.3727 -41.4753 -9.31191 -62.7517 14.3727 -62.7517 9.28825 GPRESSAVG: 4779000 26.8665 -42.1686 14.5377 -40.0178 -9.10516 -64.4023 15.8437 -62.7285 9.14286 TIMING: 4779000 CPU: 15155.3, 0.00313252/step Wall: 15155.3, 0.00313252/step, 0.192302 hours remaining, 241.378906 MB of memory in use. ENERGY: 4779000 3949.9693 20682.9358 14453.8123 255.5870 -203504.3831 2482.1533 0.0000 0.0000 51946.3838 -109733.5415 298.5366 -161679.9253 -109372.6257 299.4980 57.0214 86.1020 760542.6396 9.0925 8.9681 PRESSURE: 4779200 -216.143 39.9943 193.812 39.9935 -178.995 -183.666 193.812 -183.667 192.52 GPRESSURE: 4779200 -145.243 -137.164 228.241 -19.0636 -114.907 -187.592 205.494 -119.364 140.303 PRESSAVG: 4779200 22.515 -18.2516 28.5416 -18.2517 -44.6472 -81.1364 28.5416 -81.1365 19.6986 GPRESSAVG: 4779200 22.1213 -18.1624 28.5246 -19.35 -44.5904 -79.424 27.2078 -82.8594 20.1675 TIMING: 4779200 CPU: 15155.9, 0.00312593/step Wall: 15155.9, 0.00312593/step, 0.191724 hours remaining, 241.378906 MB of memory in use. ENERGY: 4779200 3937.1677 20498.9119 14422.0429 245.9535 -203468.0448 2438.0054 0.0000 0.0000 52073.4999 -109852.4635 299.2671 -161925.9634 -109487.6926 299.0251 -67.5394 -39.9490 762683.0279 -0.8112 -0.7672 PRESSURE: 4779400 381.272 38.7984 14.2293 38.7979 31.8664 127.688 14.2299 127.688 71.4277 GPRESSURE: 4779400 389.264 -24.3128 49.0299 -40.7176 58.9394 148.437 46.9916 57.4174 101.744 PRESSAVG: 4779400 -15.5177 -110.075 -55.6678 -110.075 17.086 -42.6959 -55.6679 -42.6959 -7.839 GPRESSAVG: 4779400 -15.0356 -110.054 -55.9236 -109.728 16.9195 -44.4713 -54.1059 -38.9663 -8.52678 TIMING: 4779400 CPU: 15156.6, 0.00312664/step Wall: 15156.6, 0.00312664/step, 0.191594 hours remaining, 241.378906 MB of memory in use. ENERGY: 4779400 3943.5518 20763.0328 14438.5765 240.4455 -203775.2013 2876.7926 0.0000 0.0000 51508.8168 -110003.9853 296.0219 -161512.8021 -109650.1776 298.5056 161.5221 183.3158 759672.4128 -2.0902 -2.2143 PRESSURE: 4779600 93.0149 -85.6384 -193.309 -85.6379 178.733 252.257 -193.31 252.258 65.6393 GPRESSURE: 4779600 160.344 -5.66361 -294.399 -63.6231 162.1 268.528 -124.298 187.612 105.4 PRESSAVG: 4779600 10.592 -9.46802 4.30239 -9.46799 63.0894 -18.6984 4.30234 -18.6984 6.53486 GPRESSAVG: 4779600 9.40899 -10.8732 4.69746 -9.54725 62.7675 -17.9583 2.72402 -21.0161 7.7263 TIMING: 4779600 CPU: 15157.2, 0.00311523/step Wall: 15157.2, 0.00311523/step, 0.190721 hours remaining, 241.378906 MB of memory in use. ENERGY: 4779600 3968.6075 20487.2424 14472.8254 239.7021 -204049.7742 3031.3221 0.0000 0.0000 51831.2063 -110018.8684 297.8747 -161850.0747 -109655.9723 297.9586 112.4625 142.6145 760775.6499 26.7388 26.6343 PRESSURE: 4779800 -79.6825 239.439 131.077 239.439 327.429 29.5768 131.077 29.5769 -180.508 GPRESSURE: 4779800 38.2679 216.826 132.71 224.803 268.252 100.805 168.215 -96.7944 -154.586 PRESSAVG: 4779800 -60.2247 -29.6374 -0.477736 -29.6374 27.3869 6.80819 -0.477734 6.80821 4.44278 GPRESSAVG: 4779800 -58.2743 -28.105 0.0918864 -28.8203 27.1951 8.12998 -0.764597 7.58429 3.35969 TIMING: 4779800 CPU: 15157.8, 0.00311159/step Wall: 15157.8, 0.00311159/step, 0.190326 hours remaining, 241.378906 MB of memory in use. ENERGY: 4779800 3958.0424 20687.6388 14384.4284 228.0915 -203540.0062 2608.9407 0.0000 0.0000 51786.3663 -109886.4982 297.6170 -161672.8645 -109531.2714 298.7367 22.4127 50.6446 759686.9316 -9.4650 -9.2398 PRESSURE: 4780000 100.306 -17.0282 -154.587 -17.0288 -124.181 -8.43267 -154.586 -8.43192 -224.781 GPRESSURE: 4780000 135.627 -36.8356 -176.677 -69.6714 -126.146 59.4027 -88.9496 -91.9386 -159.786 PRESSAVG: 4780000 39.1485 -31.0716 18.8505 -31.0716 5.67115 24.343 18.8506 24.3429 1.12774 GPRESSAVG: 4780000 38.4956 -30.8088 17.2227 -32.2098 5.6817 23.3858 20.9102 25.7453 2.24099 TIMING: 4780000 CPU: 15158.4, 0.00314371/step Wall: 15158.4, 0.00314371/step, 0.192116 hours remaining, 241.378906 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: 4780000 4002.9553 20560.1350 14477.0485 253.2830 -203533.1725 2333.3708 0.0000 0.0000 52138.7656 -109767.6144 299.6422 -161906.3800 -109412.3488 298.9672 -82.8855 -50.1017 758430.5669 15.3158 15.4727 PRESSURE: 4780200 5.84713 65.8483 -101.976 65.848 -164.378 174.65 -101.976 174.651 294.2 GPRESSURE: 4780200 -25.5339 26.5182 8.14569 197.923 -98.0222 73.3525 -105.26 60.812 331.285 PRESSAVG: 4780200 5.37719 -13.8803 -3.35079 -13.8803 21.2825 15.4356 -3.35079 15.4355 11.0052 GPRESSAVG: 4780200 4.43967 -13.7126 -1.4392 -14.3763 22.1371 15.0501 -5.9054 14.9618 10.571 TIMING: 4780200 CPU: 15159.1, 0.0031311/step Wall: 15159.1, 0.0031311/step, 0.191171 hours remaining, 241.378906 MB of memory in use. ENERGY: 4780200 3999.2472 20449.1192 14461.5331 255.6810 -203651.8326 2493.7522 0.0000 0.0000 51997.6938 -109994.8063 298.8315 -161992.5001 -109626.8490 298.5974 45.2233 69.2429 758888.0173 12.5550 12.3826 LDB: ============= START OF LOAD BALANCING ============== 15171.5 LDB: ============== END OF LOAD BALANCING =============== 15171.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15171.5 LDB: ============= START OF LOAD BALANCING ============== 15171.8 LDB: Largest compute 7069 load 0.033138 is 16.9% of average load 0.195589 LDB: Average compute 0.004361 is 2.2% of average load 0.195589 LDB: TIME 15171.8 LOAD: AVG 0.195589 MAX 0.216197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.348 MB LDB: TIME 15171.8 LOAD: AVG 0.195589 MAX 0.216197 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.352 MB LDB: TIME 15171.8 LOAD: AVG 0.195589 MAX 0.216197 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.352 MB LDB: ============== END OF LOAD BALANCING =============== 15171.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15171.8 PRESSURE: 4780400 -521.298 162.681 97.6998 162.681 -266.885 -54.655 97.7 -54.6545 -56.7374 GPRESSURE: 4780400 -444.233 104.416 65.865 67.3332 -232.303 -110.319 232.016 -113.819 -89.2492 PRESSAVG: 4780400 -8.2578 -21.1728 41.6179 -21.1728 15.5087 23.1371 41.6179 23.137 10.7861 GPRESSAVG: 4780400 -7.85765 -24.084 41.0335 -20.9299 14.0193 23.759 41.2668 21.4417 11.3692 TIMING: 4780400 CPU: 15159.7, 0.00321416/step Wall: 15159.7, 0.00321416/step, 0.196064 hours remaining, 241.890625 MB of memory in use. ENERGY: 4780400 4008.8682 20418.1027 14458.1137 236.5201 -203803.8801 2561.3938 0.0000 0.0000 51944.2933 -110176.5883 298.5246 -162120.8817 -109803.3452 298.0092 -281.6400 -255.2617 759707.1133 6.0123 5.8436 PRESSURE: 4780600 -114.144 189.493 161.336 189.493 -199.178 -198.386 161.336 -198.386 -470.15 GPRESSURE: 4780600 -67.24 85.2654 199.581 233.587 -137.834 -235.16 88.0804 -189.853 -495.543 PRESSAVG: 4780600 6.18537 21.0147 64.5845 21.0147 -15.1382 -20.0392 64.5846 -20.0392 -24.6358 GPRESSAVG: 4780600 7.41874 22.7205 64.9582 21.1102 -14.4387 -20.114 66.0374 -18.297 -27.0152 TIMING: 4780600 CPU: 15160.3, 0.0031261/step Wall: 15160.3, 0.0031261/step, 0.190519 hours remaining, 241.890625 MB of memory in use. ENERGY: 4780600 4046.6941 20500.7555 14454.9471 247.4865 -203900.5035 2667.5858 0.0000 0.0000 51934.7997 -110048.2349 298.4700 -161983.0346 -109683.0752 298.0123 -261.1574 -233.5390 760993.9922 -11.1962 -11.3450 PRESSURE: 4780800 8.42935 52.1763 -225.232 52.1764 -2.33314 1.86904 -225.232 1.86887 -76.5823 GPRESSURE: 4780800 101.014 46.2474 -265.379 36.3831 -15.8283 11.0745 -118.986 -107.346 -56.9579 PRESSAVG: 4780800 4.83189 -24.2 3.70327 -24.1999 7.17658 11.6303 3.70328 11.6304 3.43791 GPRESSAVG: 4780800 4.13889 -22.0417 2.48857 -22.5457 6.05631 12.4106 4.06355 10.9589 5.39394 TIMING: 4780800 CPU: 15161, 0.00312635/step Wall: 15161, 0.00312635/step, 0.19036 hours remaining, 241.890625 MB of memory in use. ENERGY: 4780800 4009.8517 20371.2983 14385.1460 237.8016 -203932.5184 2957.3655 0.0000 0.0000 52015.6769 -109955.3785 298.9348 -161971.0554 -109588.7113 298.3619 -23.4954 9.4094 760959.2957 5.1488 5.1964 PRESSURE: 4781000 216.328 -137.21 145.317 -137.209 48.887 116.486 145.317 116.485 -58.3316 GPRESSURE: 4781000 133.241 -42.4923 114.104 -160.513 77.9931 66.146 138.721 139.532 72.6707 PRESSAVG: 4781000 -58.8595 -39.5399 14.7602 -39.5399 43.0747 19.6319 14.7601 19.6319 -5.62841 GPRESSAVG: 4781000 -59.4265 -38.3648 15.2096 -41.3229 43.1314 19.0943 13.2281 19.2779 -5.80323 TIMING: 4781000 CPU: 15161.6, 0.0031026/step Wall: 15161.6, 0.0031026/step, 0.188741 hours remaining, 241.890625 MB of memory in use. ENERGY: 4781000 4006.8866 20350.8386 14520.1085 240.3319 -203292.4060 2397.9060 0.0000 0.0000 51956.9909 -109819.3433 298.5975 -161776.3342 -109450.7406 297.9141 68.9610 94.6348 759612.6414 -7.1377 -7.3661 PRESSURE: 4781200 452.639 55.8655 92.3048 55.8664 -126.5 -35.0529 92.3051 -35.0541 -29.1792 GPRESSURE: 4781200 387.965 23.3733 107.242 -16.5314 -84.9925 9.36203 50.6873 -48.5364 59.4583 PRESSAVG: 4781200 46.4703 18.6272 38.9727 18.6272 -1.8084 -19.0029 38.9727 -19.0028 -8.10513 GPRESSAVG: 4781200 46.9778 12.8412 38.9232 19.6736 -1.69301 -18.9303 40.0738 -18.0265 -8.72712 TIMING: 4781200 CPU: 15162.2, 0.00312318/step Wall: 15162.2, 0.00312318/step, 0.18982 hours remaining, 241.890625 MB of memory in use. ENERGY: 4781200 3961.8585 20763.0093 14468.6223 248.1464 -203463.4411 2501.2363 0.0000 0.0000 51857.7434 -109662.8250 298.0272 -161520.5684 -109313.9598 299.3524 98.9867 120.8102 758382.5192 12.1856 12.1859 PRESSURE: 4781400 27.7594 -78.2406 -82.4463 -78.2397 8.28126 33.1675 -82.4456 33.167 -74.0157 GPRESSURE: 4781400 71.3832 -34.5601 -128.144 -179.351 -57.067 100.47 -1.66642 -46.2997 39.6317 PRESSAVG: 4781400 25.7161 18.9828 -27.7026 18.9828 -6.78186 -2.60253 -27.7026 -2.6025 4.92844 GPRESSAVG: 4781400 25.3602 22.078 -28.5691 17.3297 -6.66774 -3.82645 -27.8897 -4.70592 5.19814 TIMING: 4781400 CPU: 15162.8, 0.00314459/step Wall: 15162.8, 0.00314459/step, 0.190946 hours remaining, 241.890625 MB of memory in use. ENERGY: 4781400 3990.6435 20263.1575 14466.7264 245.0759 -203371.6282 2537.3527 0.0000 0.0000 52131.9353 -109736.7369 299.6029 -161868.6722 -109368.4282 298.8357 -12.6583 17.9826 760135.3470 7.9542 7.9635 PRESSURE: 4781600 26.8825 -47.8953 -108.019 -47.8958 -326.703 -113.289 -108.019 -113.289 227.536 GPRESSURE: 4781600 6.03134 -3.38591 -142.694 -64.9612 -225.095 -164.643 -155.211 -44.0976 250.166 PRESSAVG: 4781600 72.2405 22.6745 -93.7097 22.6745 -18.9084 -20.7238 -93.7097 -20.7238 38.0241 GPRESSAVG: 4781600 71.7503 23.2388 -93.4013 23.5897 -19.009 -18.7736 -93.8868 -19.7598 38.1405 TIMING: 4781600 CPU: 15163.5, 0.00315545/step Wall: 15163.5, 0.00315545/step, 0.191431 hours remaining, 241.890625 MB of memory in use. ENERGY: 4781600 3966.5238 20470.1736 14494.1528 253.0071 -203273.8411 2412.0445 0.0000 0.0000 52045.4739 -109632.4654 299.1061 -161677.9393 -109268.7960 299.3561 -24.0948 10.3672 759354.1219 30.4521 30.2939 PRESSURE: 4781800 -321.85 39.979 34.6244 39.9795 -166.047 -51.4921 34.6251 -51.4923 -382.709 GPRESSURE: 4781800 -276.691 -100.517 25.2421 6.97539 -123.994 -18.0857 -40.3835 -121.205 -381.752 PRESSAVG: 4781800 1.95492 1.26631 -18.9631 1.26633 -40.2652 23.1341 -18.9632 23.1341 2.74043 GPRESSAVG: 4781800 2.58713 -1.01958 -17.7462 2.37899 -39.6988 21.601 -19.3183 21.2293 1.41044 TIMING: 4781800 CPU: 15164.1, 0.00314906/step Wall: 15164.1, 0.00314906/step, 0.190868 hours remaining, 241.890625 MB of memory in use. ENERGY: 4781800 3946.1033 20395.8210 14438.3005 256.2478 -203388.1184 2605.0570 0.0000 0.0000 52080.4164 -109666.1725 299.3069 -161746.5889 -109300.6971 298.8996 -290.2017 -260.8123 761041.3180 -11.8566 -11.9004 PRESSURE: 4782000 179.528 187.275 57.1298 187.274 -167.487 -255.396 57.1301 -255.395 -133.972 GPRESSURE: 4782000 275.259 210.629 27.2403 135.634 -163.552 -153.882 19.7255 -214.166 -139.248 PRESSAVG: 4782000 53.8383 40.3261 -12.5249 40.3262 -46.1638 -19.5777 -12.5249 -19.5776 7.98048 GPRESSAVG: 4782000 54.2212 40.5953 -12.5236 39.4101 -45.6742 -19.0513 -14.3685 -16.1747 7.23592 TIMING: 4782000 CPU: 15164.7, 0.00313787/step Wall: 15164.7, 0.00313787/step, 0.190016 hours remaining, 241.890625 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: 4782000 3977.7813 20556.2860 14463.5741 258.0903 -203513.8296 2305.4511 0.0000 0.0000 52373.2868 -109579.3600 300.9900 -161952.6468 -109205.1499 299.3711 -40.6437 -9.1803 759199.4673 5.2183 5.2610 PRESSURE: 4782200 223.459 -207.703 84.1152 -207.703 -31.3021 -317.291 84.1153 -317.29 243.354 GPRESSURE: 4782200 278.891 -159.313 127.751 -2.79002 65.2945 -260.87 96.3276 -322.423 186.239 PRESSAVG: 4782200 5.59651 13.1459 35.5119 13.1459 -69.7791 -87.7312 35.5119 -87.7311 26.7278 GPRESSAVG: 4782200 5.01987 14.3569 36.3309 15.3664 -69.9554 -89.3008 35.0747 -88.0378 27.014 TIMING: 4782200 CPU: 15165.4, 0.0031497/step Wall: 15165.4, 0.0031497/step, 0.190557 hours remaining, 241.890625 MB of memory in use. ENERGY: 4782200 4037.2522 20566.4861 14470.7408 238.3540 -203822.7777 2702.0955 0.0000 0.0000 52078.0326 -109729.8165 299.2932 -161807.8491 -109370.6334 299.6352 145.1704 176.8081 759068.0693 -12.4849 -12.6405 PRESSURE: 4782400 -38.4857 119.12 -213.659 119.118 20.2099 -31.8012 -213.659 -31.8 11.1235 GPRESSURE: 4782400 17.4125 51.8576 -171.326 74.3008 92.9395 -30.6783 -177.619 -71.3701 -28.5338 PRESSAVG: 4782400 32.9013 19.7483 -36.196 19.7483 -25.6223 -12.9266 -36.1959 -12.9267 4.88968 GPRESSAVG: 4782400 31.8783 19.838 -37.8741 19.3617 -25.1231 -11.0162 -33.4079 -16.0353 4.94033 TIMING: 4782400 CPU: 15166, 0.00313727/step Wall: 15166, 0.00313727/step, 0.189631 hours remaining, 241.890625 MB of memory in use. ENERGY: 4782400 3960.4664 20474.0347 14515.4806 232.8425 -203791.7711 2788.3412 0.0000 0.0000 52198.4467 -109622.1590 299.9852 -161820.6057 -109260.2420 299.2465 -2.3841 27.2727 760469.6186 4.0562 3.8985 PRESSURE: 4782600 -14.3588 6.91062 -254.728 6.91015 76.1019 49.9871 -254.727 49.9879 -44.6212 GPRESSURE: 4782600 28.4282 -47.8179 -315.748 -74.7573 6.4621 34.4253 -137.893 38.5067 52.237 PRESSAVG: 4782600 38.4386 -23.2712 -2.25915 -23.2711 -7.78224 55.4958 -2.25908 55.4959 23.9956 GPRESSAVG: 4782600 39.9189 -23.702 -1.00562 -24.6266 -9.87672 54.0286 -3.05445 56.9158 24.2386 TIMING: 4782600 CPU: 15166.6, 0.00314996/step Wall: 15166.6, 0.00314996/step, 0.190223 hours remaining, 241.890625 MB of memory in use. ENERGY: 4782600 3958.6420 20497.4421 14483.2410 248.5959 -203515.2353 2603.0072 0.0000 0.0000 52194.0438 -109530.2634 299.9599 -161724.3071 -109169.4568 299.6242 5.7073 29.0424 760727.5704 18.2173 18.0936 PRESSURE: 4782800 -198.601 78.3564 8.01266 78.3565 37.3036 -55.4583 8.01293 -55.4569 404.316 GPRESSURE: 4782800 -130.464 10.935 21.2218 65.9399 165.783 -20.1213 -48.2409 -191.186 305.132 PRESSAVG: 4782800 50.7546 1.10694 19.3057 1.107 -48.4656 66.2557 19.3058 66.2557 -10.8341 GPRESSAVG: 4782800 48.8871 1.92847 17.3524 0.84971 -46.7831 67.0888 21.6355 66.7655 -10.41 TIMING: 4782800 CPU: 15167.2, 0.00314741/step Wall: 15167.2, 0.00314741/step, 0.189894 hours remaining, 241.890625 MB of memory in use. ENERGY: 4782800 3980.3044 20519.8255 14477.8919 249.7566 -203590.8699 2628.1570 0.0000 0.0000 52149.5653 -109585.3692 299.7043 -161734.9346 -109217.5793 299.3933 81.0061 113.4835 760706.9833 -2.8484 -2.7687 PRESSURE: 4783000 -212.648 -118.046 -29.7117 -118.046 -65.4804 -25.8179 -29.712 -25.8194 178.255 GPRESSURE: 4783000 -187.157 -131.218 72.6929 -128.118 -65.9763 -92.0857 4.85694 129.61 226.98 PRESSAVG: 4783000 -26.3698 -3.31351 -8.10165 -3.31353 -13.3104 5.64301 -8.10172 5.64304 -10.541 GPRESSAVG: 4783000 -26.3577 -4.00375 -7.38872 -2.08505 -12.9635 4.037 -8.36584 6.27115 -10.9152 TIMING: 4783000 CPU: 15167.9, 0.00315429/step Wall: 15167.9, 0.00315429/step, 0.190133 hours remaining, 241.890625 MB of memory in use. ENERGY: 4783000 3936.6159 20385.3094 14511.2523 244.5656 -203252.7175 2407.1002 0.0000 0.0000 52204.1109 -109563.7631 300.0177 -161767.8740 -109196.2574 299.2334 -33.2910 -8.7177 760790.8665 -16.7404 -16.7455 PRESSURE: 4783200 59.829 -37.9442 -105.221 -37.944 273.941 -123.045 -105.221 -123.046 -174.156 GPRESSURE: 4783200 85.3514 -53.1609 11.4514 -146.953 171.133 -34.1797 -159.298 -180.283 -28.7274 PRESSAVG: 4783200 -0.971401 -22.4239 -28.8897 -22.424 -18.9224 -29.0344 -28.8897 -29.0343 -4.55631 GPRESSAVG: 4783200 -0.602994 -22.4523 -29.1754 -24.8994 -20.409 -28.1045 -29.9108 -30.9618 -4.13996 TIMING: 4783200 CPU: 15168.5, 0.00313605/step Wall: 15168.5, 0.00313605/step, 0.18886 hours remaining, 241.890625 MB of memory in use. ENERGY: 4783200 3920.0444 20416.1988 14541.9090 226.6261 -203518.4342 2675.0240 0.0000 0.0000 51907.1172 -109831.5146 298.3109 -161738.6319 -109467.5460 299.1278 53.2048 75.9191 760318.0810 -8.1500 -8.3840 PRESSURE: 4783400 58.961 170.79 90.5712 170.79 -297.154 4.41364 90.5711 4.41421 -187.942 GPRESSURE: 4783400 82.3048 175.181 40.1975 173.605 -263.478 -12.2684 153.854 68.9083 -171.813 PRESSAVG: 4783400 21.4202 -16.8612 47.4208 -16.8611 -2.35848 -28.1439 47.4207 -28.1439 1.04511 GPRESSAVG: 4783400 21.5579 -17.7269 48.7002 -15.6443 -1.36374 -26.8908 48.3401 -27.1313 -0.0539944 TIMING: 4783400 CPU: 15169.1, 0.00314797/step Wall: 15169.1, 0.00314797/step, 0.189403 hours remaining, 242.148438 MB of memory in use. ENERGY: 4783400 3951.3313 20548.1215 14465.5886 232.9341 -203710.8642 2775.1669 0.0000 0.0000 51822.1758 -109915.5459 297.8228 -161737.7217 -109556.7337 298.5239 -142.0448 -117.6621 759738.9043 6.7023 6.7134 PRESSURE: 4783600 443.188 189.063 -207.215 189.065 2.86628 -72.7276 -207.215 -72.7266 409.422 GPRESSURE: 4783600 376.525 122.563 -258.581 158.975 184.622 -46.0506 -115.514 77.5343 401.07 PRESSAVG: 4783600 -2.79957 -23.5695 -3.61174 -23.5694 -2.92239 24.6305 -3.61174 24.6305 -4.17098 GPRESSAVG: 4783600 -2.67148 -24.1709 -5.04863 -24.3761 -2.32404 23.8914 -3.82481 24.8111 -4.07006 TIMING: 4783600 CPU: 15169.8, 0.0031509/step Wall: 15169.8, 0.0031509/step, 0.189404 hours remaining, 242.148438 MB of memory in use. ENERGY: 4783600 3938.4073 20375.0961 14555.6703 248.1918 -203659.1398 2503.8056 0.0000 0.0000 51987.4437 -110050.5251 298.7726 -162037.9688 -109690.4176 298.2779 285.1587 320.7390 758368.4259 -3.2976 -3.0219 PRESSURE: 4783800 -118.462 -222.863 304.597 -222.862 169.212 -30.0532 304.597 -30.0529 571.027 GPRESSURE: 4783800 -30.9501 -139.895 284.995 -150.947 135.548 -71.7636 177.116 -83.0958 592.015 PRESSAVG: 4783800 66.1635 -23.0269 -26.1243 -23.0269 2.31219 -2.1666 -26.1244 -2.16648 3.91533 GPRESSAVG: 4783800 65.5582 -20.2305 -24.5618 -20.6291 1.60489 -3.24716 -30.3526 -1.55459 5.71364 TIMING: 4783800 CPU: 15170.4, 0.00315074/step Wall: 15170.4, 0.00315074/step, 0.18922 hours remaining, 242.148438 MB of memory in use. ENERGY: 4783800 3903.9446 20546.3193 14449.1192 233.0480 -203461.1285 2545.4582 0.0000 0.0000 51762.4851 -110020.7541 297.4797 -161783.2392 -109654.2732 297.7444 207.2592 232.2043 760544.4022 24.1303 24.2922 PRESSURE: 4784000 401.594 -59.7268 -154.131 -59.7268 160.482 48.1997 -154.131 48.1986 319.066 GPRESSURE: 4784000 480.376 26.6233 -238.35 -45.6501 165.201 -109.267 -92.686 202.525 317.288 PRESSAVG: 4784000 -8.12289 -9.84486 -47.6734 -9.84489 11.5472 -22.4008 -47.6734 -22.4008 -0.0785058 GPRESSAVG: 4784000 -7.37908 -11.8949 -50.5521 -8.66106 11.1702 -21.9015 -44.2071 -21.6154 -0.742321 TIMING: 4784000 CPU: 15171, 0.00315115/step Wall: 15171, 0.00315115/step, 0.189069 hours remaining, 242.148438 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: 4784000 3878.8918 20429.9805 14490.9597 235.8615 -203519.9972 2606.0876 0.0000 0.0000 51694.1474 -110184.0686 297.0870 -161878.2160 -109828.5377 297.6736 293.7140 320.9549 759515.4274 1.1153 1.0163 PRESSURE: 4784200 -262.121 -31.2581 109.887 -31.2581 -146.525 179.255 109.887 179.255 94.9248 GPRESSURE: 4784200 -311.706 29.8278 59.7467 -32.8471 -1.1667 171.896 -104.401 133.117 84.3108 PRESSAVG: 4784200 0.458865 -4.46955 -59.2713 -4.46961 -11.0846 30.0643 -59.2713 30.0643 12.4686 GPRESSAVG: 4784200 -1.53453 -4.0067 -58.3215 -4.79243 -9.00331 30.7182 -59.5963 29.1752 12.6753 TIMING: 4784200 CPU: 15171.7, 0.00316569/step Wall: 15171.7, 0.00316569/step, 0.189765 hours remaining, 242.148438 MB of memory in use. ENERGY: 4784200 3996.2113 20287.4943 14477.8279 238.5318 -203655.3868 2644.8331 0.0000 0.0000 51857.4151 -110153.0732 298.0253 -162010.4883 -109798.6936 297.8230 -104.5738 -76.1874 759283.2432 0.6143 0.7125 LDB: ============= START OF LOAD BALANCING ============== 15184.1 LDB: ============== END OF LOAD BALANCING =============== 15184.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15184.1 LDB: ============= START OF LOAD BALANCING ============== 15184.4 LDB: Largest compute 7036 load 0.034172 is 17.5% of average load 0.195459 LDB: Average compute 0.004365 is 2.2% of average load 0.195459 LDB: TIME 15184.4 LOAD: AVG 0.195459 MAX 0.215043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.895 MB LDB: TIME 15184.4 LOAD: AVG 0.195459 MAX 0.215043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: TIME 15184.4 LOAD: AVG 0.195459 MAX 0.215043 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.992 MB LDB: ============== END OF LOAD BALANCING =============== 15184.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15184.4 PRESSURE: 4784400 -26.8156 132.648 237.078 132.648 -223.592 40.2348 237.078 40.2345 128.791 GPRESSURE: 4784400 -52.9591 143.794 220.132 58.968 -133.212 46.7387 247.351 -17.8182 149.87 PRESSAVG: 4784400 46.0874 -1.91649 -36.713 -1.91653 -73.5962 23.3916 -36.713 23.3915 1.23427 GPRESSAVG: 4784400 47.8549 -1.489 -37.0201 -3.4376 -75.2091 23.7799 -37.3793 22.5496 1.21539 TIMING: 4784400 CPU: 15172.3, 0.0032349/step Wall: 15172.3, 0.0032349/step, 0.193734 hours remaining, 242.265625 MB of memory in use. ENERGY: 4784400 3874.5948 20330.9869 14451.2354 244.2758 -203411.3991 2435.2551 0.0000 0.0000 51954.3797 -110120.6715 298.5825 -162075.0512 -109763.1618 297.4642 -40.5388 -12.1004 759941.2925 -8.7582 -8.7129 PRESSURE: 4784600 -45.207 219.029 -292.461 219.03 146.133 164.24 -292.463 164.239 95.5267 GPRESSURE: 4784600 -30.2761 148.997 -237.233 210.991 200.494 180.253 -352.245 45.6735 116.227 PRESSAVG: 4784600 -12.6405 5.10379 -50.5745 5.10379 25.6171 24.3799 -50.5745 24.3799 7.48001 GPRESSAVG: 4784600 -13.7894 5.32244 -50.4516 3.97384 26.8083 23.9118 -50.5596 24.7745 7.29861 TIMING: 4784600 CPU: 15172.9, 0.00317765/step Wall: 15172.9, 0.00317765/step, 0.190129 hours remaining, 242.468750 MB of memory in use. ENERGY: 4784600 3976.1899 20403.6505 14531.3125 243.6932 -203598.4525 2538.3020 0.0000 0.0000 51809.9057 -110095.3987 297.7522 -161905.3044 -109744.9827 297.6666 65.4841 95.4817 758034.3672 6.8189 6.7725 PRESSURE: 4784800 226.376 -46.653 -124.771 -46.6539 76.1441 66.0351 -124.771 66.0357 -86.5519 GPRESSURE: 4784800 209.1 20.1957 -91.7049 -77.6918 102.057 22.5188 -16.2161 46.0062 -16.4752 PRESSAVG: 4784800 -36.255 -11.3546 27.8026 -11.3546 -50.2924 13.9622 27.8026 13.9623 9.3901 GPRESSAVG: 4784800 -35.0375 -12.9013 29.5328 -9.81555 -50.7529 13.6516 27.807 14.7752 9.2425 TIMING: 4784800 CPU: 15173.6, 0.00313054/step Wall: 15173.6, 0.00313054/step, 0.187137 hours remaining, 242.468750 MB of memory in use. ENERGY: 4784800 3932.4911 20439.0579 14506.1809 236.7663 -203656.1050 2558.3390 0.0000 0.0000 51810.0553 -110173.2145 297.7531 -161983.2698 -109813.6773 297.8503 71.9894 98.2272 759033.0422 -25.7191 -25.5159 PRESSURE: 4785000 15.9858 -58.4619 173.418 -58.4626 -23.4649 49.8365 173.418 49.8367 137.379 GPRESSURE: 4785000 4.03871 -161.225 234.874 -153.791 14.3545 192.61 212.298 -55.7634 177.308 PRESSAVG: 4785000 8.91272 -38.3767 39.8732 -38.3767 41.7413 17.7245 39.8732 17.7245 -7.52844 GPRESSAVG: 4785000 9.42157 -37.6974 40.9919 -38.4793 40.3856 17.5194 40.3321 17.3084 -6.69021 TIMING: 4785000 CPU: 15174.2, 0.00313673/step Wall: 15174.2, 0.00313673/step, 0.187333 hours remaining, 242.468750 MB of memory in use. ENERGY: 4785000 3974.7657 20441.8926 14488.1802 257.3956 -203570.9471 2523.8604 0.0000 0.0000 51890.0662 -109994.7864 298.2129 -161884.8526 -109630.1927 297.9134 43.3001 65.2336 759216.9971 14.3752 14.3723 PRESSURE: 4785200 67.5222 42.0633 104.092 42.0628 282.1 45.1336 104.093 45.1344 104.326 GPRESSURE: 4785200 146.608 155.813 170.356 31.1968 243.764 15.9884 50.8692 122.164 140.533 PRESSAVG: 4785200 56.4826 33.0664 54.7526 33.0664 -83.096 47.741 54.7526 47.741 -16.1244 GPRESSAVG: 4785200 56.1065 33.8484 54.5368 33.9307 -82.3198 48.0564 52.9887 47.1615 -16.7329 TIMING: 4785200 CPU: 15174.8, 0.00314165/step Wall: 15174.8, 0.00314165/step, 0.187452 hours remaining, 242.468750 MB of memory in use. ENERGY: 4785200 3961.3493 20491.7517 14492.9440 243.7936 -203606.7357 2735.9539 0.0000 0.0000 51764.0090 -109916.9343 297.4885 -161680.9433 -109553.4848 297.4614 151.3161 176.9683 760096.9240 -14.2460 -14.3154 PRESSURE: 4785400 -170.59 -104.345 196.439 -104.345 378.792 -12.0103 196.438 -12.01 92.4941 GPRESSURE: 4785400 -148.185 -114.896 206.896 -114.815 394.926 -46.0596 165.056 -56.8345 132.287 PRESSAVG: 4785400 0.327441 -26.3317 42.2305 -26.3317 18.3517 -19.4293 42.2305 -19.4293 19.8747 GPRESSAVG: 4785400 -0.228031 -28.1806 38.4568 -25.1305 18.9526 -20.867 44.0168 -17.2247 20.1617 TIMING: 4785400 CPU: 15175.4, 0.00313157/step Wall: 15175.4, 0.00313157/step, 0.186676 hours remaining, 242.468750 MB of memory in use. ENERGY: 4785400 3874.1132 20500.0203 14522.6087 253.4130 -203574.8536 2785.2711 0.0000 0.0000 52091.0002 -109548.4271 299.3677 -161639.4273 -109183.5509 298.8964 100.2319 126.3429 759894.3352 12.8513 12.9621 PRESSURE: 4785600 354.382 12.4002 -129.319 12.4002 -107.206 29.3856 -129.319 29.3858 -60.4991 GPRESSURE: 4785600 286.27 45.4762 -194.202 -3.7858 25.9676 -43.6987 -99.019 -12.0932 -47.1595 PRESSAVG: 4785600 -6.48132 -28.4915 36.0602 -28.4915 -11.5694 -33.1123 36.0602 -33.1123 3.27256 GPRESSAVG: 4785600 -7.42282 -27.9881 39.046 -30.4529 -10.6411 -32.1032 35.2685 -36.5061 2.9425 TIMING: 4785600 CPU: 15176.1, 0.0031166/step Wall: 15176.1, 0.0031166/step, 0.185611 hours remaining, 242.468750 MB of memory in use. ENERGY: 4785600 3830.2173 20547.7728 14493.6650 250.8000 -203303.7022 2480.8009 0.0000 0.0000 51997.8082 -109702.6379 298.8321 -161700.4461 -109337.2482 298.9813 62.2255 88.3593 760417.8796 -4.9260 -5.0405 PRESSURE: 4785800 -258.804 65.3734 76.8698 65.3729 -101.744 -30.0521 76.8699 -30.0512 309.229 GPRESSURE: 4785800 -231.935 -88.4768 -22.8503 -67.104 -104.851 13.863 141.351 41.0571 367.147 PRESSAVG: 4785800 40.207 -27.6832 7.49432 -27.6833 -45.0343 -37.9263 7.49431 -37.9262 -36.7063 GPRESSAVG: 4785800 40.9538 -28.5428 6.26295 -27.5193 -45.6369 -38.0132 5.40909 -34.716 -36.903 TIMING: 4785800 CPU: 15176.7, 0.00316752/step Wall: 15176.7, 0.00316752/step, 0.188467 hours remaining, 242.468750 MB of memory in use. ENERGY: 4785800 3936.7062 20388.8996 14517.3743 234.0970 -203377.3681 2518.0930 0.0000 0.0000 52115.8689 -109666.3292 299.5106 -161782.1981 -109289.1664 298.8588 -17.1066 10.1205 761155.6403 -13.8445 -13.8620 PRESSURE: 4786000 -220.917 -69.8208 -155.424 -69.8204 -344.173 27.7095 -155.423 27.7085 5.43634 GPRESSURE: 4786000 -226.521 -107.049 -150.188 -66.9342 -270.256 -76.9404 -127.878 84.7618 -1.70525 PRESSAVG: 4786000 -4.50683 9.92964 -60.0145 9.92969 9.45475 -40.8421 -60.0145 -40.8422 -1.11927 GPRESSAVG: 4786000 -4.61853 12.5059 -58.6658 10.1881 10.5428 -42.6581 -58.0255 -39.7477 -1.95287 TIMING: 4786000 CPU: 15177.3, 0.00314227/step Wall: 15177.3, 0.00314227/step, 0.18679 hours remaining, 242.468750 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: 4786000 4062.7731 20606.9958 14446.9301 240.5446 -203718.3773 2631.0751 0.0000 0.0000 52200.7405 -109529.3180 299.9984 -161730.0585 -109169.6749 299.2571 -186.5512 -166.1606 761477.2673 1.2762 1.3238 PRESSURE: 4786200 -283.28 34.2398 -132.604 34.2394 87.276 -51.52 -132.604 -51.5206 0.223718 GPRESSURE: 4786200 -163.555 -70.4562 -53.9437 107.554 23.8539 -27.6603 -259.261 -93.684 38.5741 PRESSAVG: 4786200 -14.6969 -49.1015 -61.1659 -49.1015 -2.81522 0.86853 -61.166 0.868569 0.956857 GPRESSAVG: 4786200 -13.375 -50.5225 -62.1066 -48.6033 -3.8988 1.06935 -59.3587 -0.225269 0.606411 TIMING: 4786200 CPU: 15178, 0.00312536/step Wall: 15178, 0.00312536/step, 0.185612 hours remaining, 242.468750 MB of memory in use. ENERGY: 4786200 4036.5609 20669.9447 14537.6776 227.0256 -203325.5756 2598.7099 0.0000 0.0000 51942.6233 -109313.0336 298.5150 -161255.6569 -108955.4386 299.5609 -65.2601 -33.7090 760279.8259 -5.5184 -5.5558 PRESSURE: 4786400 94.7256 -157.567 -142.838 -157.567 -124.064 -173.313 -142.838 -173.314 -325.225 GPRESSURE: 4786400 52.6629 -43.2136 -122.395 -200.252 -57.1289 -127.97 -93.8357 -151.246 -260.599 PRESSAVG: 4786400 5.08575 -41.1522 -47.347 -41.1522 5.76469 15.6117 -47.347 15.6118 -19.4792 GPRESSAVG: 4786400 3.56883 -39.7869 -48.9402 -44.1814 6.6555 17.4182 -49.6566 13.4092 -18.628 TIMING: 4786400 CPU: 15178.6, 0.00312735/step Wall: 15178.6, 0.00312735/step, 0.185556 hours remaining, 242.468750 MB of memory in use. ENERGY: 4786400 4090.2861 20641.1898 14464.1819 241.7839 -203147.5066 2331.0288 0.0000 0.0000 52112.4436 -109266.5924 299.4909 -161379.0360 -108893.8466 299.8944 -118.1879 -88.3551 762434.3243 -2.8763 -2.8012 PRESSURE: 4786600 95.8601 -93.3447 249.192 -93.3453 113.476 81.4467 249.192 81.4473 177.051 GPRESSURE: 4786600 125.934 -118.063 287.948 -25.735 225.952 88.0432 322.145 59.9691 138.417 PRESSAVG: 4786600 -0.153695 -25.8998 -30.5998 -25.8999 7.18433 -39.4499 -30.5998 -39.4499 -14.988 GPRESSAVG: 4786600 1.11418 -27.3897 -28.8107 -23.2463 6.41624 -39.5528 -28.5356 -38.0981 -15.5574 TIMING: 4786600 CPU: 15179.2, 0.00313952/step Wall: 15179.2, 0.00313952/step, 0.186103 hours remaining, 242.468750 MB of memory in use. ENERGY: 4786600 3888.6878 20628.0147 14433.8585 226.8585 -203255.3725 2569.7062 0.0000 0.0000 52501.7166 -109006.5302 301.7281 -161508.2468 -108642.1555 300.3066 128.7958 163.4340 760957.3110 -2.6525 -2.6757 PRESSURE: 4786800 156.964 -186.733 -244.706 -186.732 42.577 -4.89629 -244.705 -4.8953 223.224 GPRESSURE: 4786800 200.983 -93.0818 -305.561 -182.805 178.754 4.87719 -210.178 72.9903 155.364 PRESSAVG: 4786800 21.5388 -3.82452 28.3719 -3.82456 22.2107 -42.3478 28.372 -42.3478 12.7885 GPRESSAVG: 4786800 20.5136 -1.75243 28.9428 -5.07583 23.1352 -42.9592 27.4669 -42.1568 13.0983 TIMING: 4786800 CPU: 15179.8, 0.0031184/step Wall: 15179.8, 0.0031184/step, 0.184678 hours remaining, 242.468750 MB of memory in use. ENERGY: 4786800 4031.6787 20391.1389 14523.5229 248.2801 -203322.6235 2764.9649 0.0000 0.0000 52441.8123 -108921.2257 301.3838 -161363.0380 -108559.1864 300.7088 140.9218 178.3670 761135.8152 18.8460 18.9157 PRESSURE: 4787000 -171.568 239.543 -111.268 239.543 160.792 3.78266 -111.267 3.7829 173.094 GPRESSURE: 4787000 -147.556 181.321 -98.196 192.428 177.245 -14.2859 -196.023 12.0992 194.902 PRESSAVG: 4787000 -57.6907 12.7969 36.7139 12.7968 42.0739 -58.1994 36.714 -58.1993 9.75963 GPRESSAVG: 4787000 -57.6299 10.9798 35.6539 14.3256 41.7207 -58.9202 38.0599 -58.0933 9.44693 TIMING: 4787000 CPU: 15180.5, 0.00313001/step Wall: 15180.5, 0.00313001/step, 0.185193 hours remaining, 242.468750 MB of memory in use. ENERGY: 4787000 3957.0070 20594.3284 14487.9885 249.0830 -203491.5654 2510.4283 0.0000 0.0000 52259.1755 -109433.5548 300.3342 -161692.7303 -109063.2253 300.2940 54.1061 74.8636 759546.9189 -1.9524 -2.1541 PRESSURE: 4787200 -53.8956 -125.222 101.213 -125.221 -373.619 124.136 101.213 124.136 105.984 GPRESSURE: 4787200 63.7418 -18.4524 19.9231 -90.2837 -407.415 85.3737 101.388 28.1144 90.1846 PRESSAVG: 4787200 -15.1401 -15.1047 -0.507222 -15.1047 -23.7167 6.94983 -0.507187 6.94982 -18.6337 GPRESSAVG: 4787200 -14.9994 -15.6826 -0.154372 -15.5359 -25.0099 6.31549 -2.35344 6.37017 -17.9805 TIMING: 4787200 CPU: 15181.1, 0.00314559/step Wall: 15181.1, 0.00314559/step, 0.185939 hours remaining, 242.468750 MB of memory in use. ENERGY: 4787200 4026.6736 20406.9200 14433.7167 263.8388 -203275.9958 2415.7700 0.0000 0.0000 52157.1698 -109571.9068 299.7480 -161729.0766 -109207.1369 299.1902 -107.1771 -84.4963 761628.3365 -19.1635 -19.3299 PRESSURE: 4787400 73.2542 -71.4271 -201.87 -71.4265 154.554 77.9699 -201.87 77.9684 349.932 GPRESSURE: 4787400 162.161 -146.128 -209.197 33.6815 157.893 99.9081 -164.764 -7.66333 334.92 PRESSAVG: 4787400 -2.67225 35.9033 -29.4809 35.9033 -3.11413 19.3716 -29.4808 19.3716 14.3403 GPRESSAVG: 4787400 -3.85764 36.1915 -29.9312 36.3606 -1.75755 20.824 -30.4772 19.2158 13.9952 TIMING: 4787400 CPU: 15181.7, 0.00312976/step Wall: 15181.7, 0.00312976/step, 0.18483 hours remaining, 242.468750 MB of memory in use. ENERGY: 4787400 3977.6903 20562.5626 14505.1078 241.2771 -203571.9712 2664.4279 0.0000 0.0000 52057.9903 -109562.9152 299.1780 -161620.9055 -109209.8035 299.2462 192.5801 218.3246 761532.4963 2.8513 2.7933 PRESSURE: 4787600 164.571 205.591 -9.61793 205.592 154.901 -56.5016 -9.61705 -56.5017 34.0233 GPRESSURE: 4787600 134.404 136.778 -100.649 180.832 210.508 86.0797 28.6116 61.67 73.9249 PRESSAVG: 4787600 8.48967 -26.0881 -10.5769 -26.088 -12.9457 -12.3124 -10.5769 -12.3123 0.90442 GPRESSAVG: 4787600 9.32405 -25.9078 -9.57686 -28.0242 -13.051 -13.3709 -9.70286 -9.99511 0.741755 TIMING: 4787600 CPU: 15182.3, 0.00314127/step Wall: 15182.3, 0.00314127/step, 0.185335 hours remaining, 242.468750 MB of memory in use. ENERGY: 4787600 4038.7840 20469.2456 14498.3747 244.8086 -203570.3837 2656.7649 0.0000 0.0000 52356.8576 -109305.5483 300.8956 -161662.4059 -108946.2144 299.4629 117.8319 139.6122 760823.5058 -1.1839 -0.9951 PRESSURE: 4787800 75.1984 114.172 100.923 114.172 -176.545 -104.581 100.923 -104.58 -182.852 GPRESSURE: 4787800 205.3 126.072 88.0778 205.144 -207.149 -147.866 51.8254 -61.0464 -186.665 PRESSAVG: 4787800 43.6004 -30.2011 -17.1521 -30.2011 -13.0783 7.07488 -17.1522 7.07486 18.7921 GPRESSAVG: 4787800 43.1438 -29.8883 -18.0749 -29.5842 -13.3661 7.76603 -18.0072 5.19858 19.1421 TIMING: 4787800 CPU: 15183, 0.00316142/step Wall: 15183, 0.00316142/step, 0.186348 hours remaining, 242.468750 MB of memory in use. ENERGY: 4787800 4003.1861 20745.0990 14438.7918 236.1380 -203365.9728 2520.9842 0.0000 0.0000 52052.7892 -109368.9843 299.1481 -161421.7735 -109018.3290 300.1381 -94.7331 -62.8383 760493.6943 16.4381 16.3066 PRESSURE: 4788000 -35.4367 -77.7108 -29.7757 -77.711 51.976 47.0868 -29.7758 47.087 -74.0983 GPRESSURE: 4788000 -32.4708 -59.5816 -10.5972 -108.662 97.7623 1.28182 42.8757 134.526 -26.2854 PRESSAVG: 4788000 -17.4747 -40.6597 -0.0697897 -40.6597 41.6168 28.7398 -0.0698065 28.7398 16.4054 GPRESSAVG: 4788000 -15.8271 -40.583 0.176632 -41.2029 41.7637 27.6658 0.279033 28.5647 15.1815 TIMING: 4788000 CPU: 15183.6, 0.0031413/step Wall: 15183.6, 0.0031413/step, 0.184988 hours remaining, 242.468750 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: 4788000 3991.6011 20394.4016 14514.3094 235.3777 -203414.2139 2616.2213 0.0000 0.0000 52423.7625 -109238.5402 301.2801 -161662.3027 -108867.6384 299.7064 -19.1864 13.0020 762176.9243 13.5158 13.7060 PRESSURE: 4788200 302.353 -234.185 -96.333 -234.185 81.9114 38.2818 -96.3332 38.2819 102.648 GPRESSURE: 4788200 282.342 -197.474 -9.72345 -228.378 114.256 67.3948 -132.675 72.308 147.539 PRESSAVG: 4788200 3.33349 -60.8678 21.3312 -60.8677 -12.2575 -34.0428 21.3312 -34.0428 -4.38297 GPRESSAVG: 4788200 2.00939 -60.6401 21.4471 -59.6367 -12.4097 -33.5298 22.0451 -35.6321 -3.19046 TIMING: 4788200 CPU: 15184.2, 0.00314485/step Wall: 15184.2, 0.00314485/step, 0.185022 hours remaining, 242.468750 MB of memory in use. ENERGY: 4788200 4061.3430 20629.9212 14510.3258 258.5479 -203973.6187 2967.6893 0.0000 0.0000 52217.4462 -109328.3453 300.0944 -161545.7915 -108963.8831 299.6927 162.3044 181.3789 760309.0699 -4.4357 -4.5302 LDB: ============= START OF LOAD BALANCING ============== 15196.7 LDB: ============== END OF LOAD BALANCING =============== 15196.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15196.7 LDB: ============= START OF LOAD BALANCING ============== 15197 LDB: Largest compute 7069 load 0.033364 is 17.1% of average load 0.195553 LDB: Average compute 0.004359 is 2.2% of average load 0.195553 LDB: TIME 15197 LOAD: AVG 0.195553 MAX 0.215199 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.215 MB LDB: TIME 15197 LOAD: AVG 0.195553 MAX 0.215199 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: TIME 15197 LOAD: AVG 0.195553 MAX 0.215199 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.215 MB LDB: ============== END OF LOAD BALANCING =============== 15197 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15197 PRESSURE: 4788400 -144.848 -162.81 -57.024 -162.811 -246.013 -48.4234 -57.0235 -48.4228 -385.271 GPRESSURE: 4788400 -105.324 -12.0632 -76.8591 -96.8092 -251.058 5.89699 86.1835 -126.144 -337.144 PRESSAVG: 4788400 -18.6406 -44.1284 9.55522 -44.1285 -3.4378 -21.5238 9.55528 -21.5238 20.7008 GPRESSAVG: 4788400 -18.7965 -46.0008 9.55795 -43.9252 -3.45046 -20.4217 10.58 -21.4836 21.3571 TIMING: 4788400 CPU: 15184.9, 0.00320126/step Wall: 15184.9, 0.00320126/step, 0.188163 hours remaining, 239.527344 MB of memory in use. ENERGY: 4788400 4011.6786 20580.9822 14572.6339 255.5749 -204037.9139 2867.1167 0.0000 0.0000 52174.8037 -109575.1240 299.8493 -161749.9277 -109214.2025 299.7386 -258.7107 -231.1753 761834.6557 -0.4592 -0.2966 PRESSURE: 4788600 360.117 86.979 -28.6355 86.979 -87.5014 119.424 -28.6358 119.424 -452.172 GPRESSURE: 4788600 295.863 167.762 -79.3931 5.93666 -6.80746 185.517 -78.143 34.9057 -393.945 PRESSAVG: 4788600 4.79986 -9.44204 48.4726 -9.44206 10.4792 4.79976 48.4726 4.79972 -7.13416 GPRESSAVG: 4788600 6.22429 -7.27264 48.3008 -9.90379 11.1392 4.20598 48.2097 5.73065 -8.98138 TIMING: 4788600 CPU: 15185.5, 0.00311913/step Wall: 15185.5, 0.00311913/step, 0.183162 hours remaining, 239.527344 MB of memory in use. ENERGY: 4788600 3988.8942 20618.9142 14434.6927 237.8931 -203872.0098 2652.7543 0.0000 0.0000 52130.3524 -109808.5089 299.5939 -161938.8613 -109449.5981 299.3072 -59.8522 -34.9632 760452.7030 2.7150 2.7940 PRESSURE: 4788800 -44.8833 195.815 -30.668 195.816 286.655 84.2524 -30.6681 84.253 -300.279 GPRESSURE: 4788800 -19.5965 118.847 -141.799 131.483 355.235 52.4898 -59.0609 26.8262 -300.598 PRESSAVG: 4788800 -54.9429 19.6891 37.9825 19.689 31.4223 20.1171 37.9825 20.1172 -4.94043 GPRESSAVG: 4788800 -56.3643 17.5321 36.4404 20.0068 32.0151 20.0084 36.3451 19.0477 -3.82141 TIMING: 4788800 CPU: 15186.1, 0.00314612/step Wall: 15186.1, 0.00314612/step, 0.184572 hours remaining, 239.527344 MB of memory in use. ENERGY: 4788800 4007.7201 20557.3986 14468.4082 241.9120 -203834.9662 2469.8689 0.0000 0.0000 52018.3449 -110071.3134 298.9501 -162089.6584 -109708.9945 298.3940 -19.5024 11.6802 759888.8392 -9.4870 -9.3902 PRESSURE: 4789000 68.3051 37.2414 58.486 37.2406 222.9 -10.7259 58.4861 -10.7261 378.492 GPRESSURE: 4789000 128.591 -11.9279 53.0367 58.8425 262.885 52.3302 61.5847 0.736591 370.461 PRESSAVG: 4789000 -66.5185 -9.53236 17.0996 -9.53235 37.0665 55.2106 17.0996 55.2105 -10.5043 GPRESSAVG: 4789000 -65.7252 -9.34908 18.6862 -10.3144 36.0733 56.3768 17.9297 57.2012 -10.8608 TIMING: 4789000 CPU: 15186.8, 0.00313315/step Wall: 15186.8, 0.00313315/step, 0.183637 hours remaining, 239.527344 MB of memory in use. ENERGY: 4789000 4035.0366 20432.9462 14379.8964 232.7824 -203724.8935 2718.1995 0.0000 0.0000 51884.3301 -110041.7023 298.1800 -161926.0323 -109684.4630 298.4035 223.2324 253.9792 759923.8693 -13.3188 -13.5042 PRESSURE: 4789200 -12.6024 149.535 53.6656 149.537 294.097 31.5654 53.6654 31.5647 -28.8173 GPRESSURE: 4789200 61.4839 140.606 80.8862 99.0086 307.997 -55.4042 -142.406 79.1391 -30.6782 PRESSAVG: 4789200 12.4446 -10.3143 -10.9836 -10.3143 13.2999 46.6338 -10.9836 46.6338 -4.91827 GPRESSAVG: 4789200 11.4837 -8.40375 -11.0613 -11.8679 13.5434 42.7899 -10.2713 44.5777 -3.98307 TIMING: 4789200 CPU: 15187.4, 0.00313878/step Wall: 15187.4, 0.00313878/step, 0.183793 hours remaining, 239.527344 MB of memory in use. ENERGY: 4789200 3959.3648 20484.5531 14484.9034 237.8065 -203840.3934 2812.1984 0.0000 0.0000 52022.2561 -109839.3110 298.9726 -161861.5672 -109472.0098 298.3412 84.2257 112.9341 760497.2839 6.9421 7.0147 PRESSURE: 4789400 -105.499 -13.0602 133.425 -13.0606 -147.466 -122.669 133.424 -122.667 493.515 GPRESSURE: 4789400 -39.5388 -10.7052 169.796 -102.447 -152.911 -148.373 27.075 17.4244 507.922 PRESSAVG: 4789400 -26.773 -33.2578 10.6288 -33.2579 -30.9122 3.49641 10.6288 3.49631 -0.581786 GPRESSAVG: 4789400 -25.5318 -35.1693 11.5232 -31.5593 -30.416 5.76045 9.63118 4.20529 -2.57163 TIMING: 4789400 CPU: 15188, 0.00313684/step Wall: 15188, 0.00313684/step, 0.183505 hours remaining, 239.527344 MB of memory in use. ENERGY: 4789400 3935.3305 20477.2502 14437.1681 241.8632 -203567.7111 2649.3716 0.0000 0.0000 51980.2000 -109846.5275 298.7309 -161826.7274 -109471.9728 298.6440 80.1830 105.1574 760839.1800 -19.4223 -19.5065 PRESSURE: 4789600 99.9612 -107.869 143.557 -107.868 -316.924 175.879 143.558 175.879 171.47 GPRESSURE: 4789600 83.6639 2.08095 281.16 -43.3634 -241.866 159.592 160.149 94.1476 173.211 PRESSAVG: 4789600 42.8326 14.2058 15.7131 14.2058 -40.8078 50.4519 15.7132 50.4519 5.50897 GPRESSAVG: 4789600 42.7718 15.784 15.0168 14.3867 -41.9449 50.1186 15.067 49.1356 6.94048 TIMING: 4789600 CPU: 15188.6, 0.00312432/step Wall: 15188.6, 0.00312432/step, 0.182599 hours remaining, 239.527344 MB of memory in use. ENERGY: 4789600 3941.9057 20395.8764 14407.6168 260.5764 -203418.6154 2534.8148 0.0000 0.0000 51929.0557 -109948.7696 298.4370 -161877.8254 -109572.7521 298.2939 -15.1644 5.0031 761618.0566 2.5113 2.5891 PRESSURE: 4789800 233.28 -133.993 -56.0513 -133.993 -333.901 -86.0717 -56.0526 -86.0712 844.751 GPRESSURE: 4789800 220.995 -165.045 51.6277 -47.0323 -198.927 -106.373 -51.371 -176.266 822.719 PRESSAVG: 4789800 7.44952 -6.30541 4.20444 -6.30539 -35.6285 6.80686 4.20441 6.80694 -12.6914 GPRESSAVG: 4789800 6.4725 -8.35804 6.51457 -6.86276 -33.9926 6.98774 2.88868 7.09598 -12.8195 TIMING: 4789800 CPU: 15189.3, 0.0031214/step Wall: 15189.3, 0.0031214/step, 0.182255 hours remaining, 239.527344 MB of memory in use. ENERGY: 4789800 3935.9095 20354.0903 14485.6104 255.1586 -204148.3483 3076.9468 0.0000 0.0000 52016.2684 -110024.3644 298.9382 -162040.6328 -109656.8158 298.2307 248.0434 281.5954 761850.0040 -13.6235 -13.4465 PRESSURE: 4790000 208.402 93.1551 24.6543 93.1554 298.324 -16.5662 24.6535 -16.5656 -55.4343 GPRESSURE: 4790000 214.045 24.5188 -12.1398 57.1618 264.209 -27.225 27.3824 45.4626 51.6381 PRESSAVG: 4790000 4.94894 10.4902 15.8703 10.4902 0.537188 34.5853 15.8703 34.5853 -7.30105 GPRESSAVG: 4790000 5.53278 11.0876 13.1503 9.36544 -0.306637 35.9435 17.9129 34.7598 -7.45505 TIMING: 4790000 CPU: 15189.9, 0.00314403/step Wall: 15189.9, 0.00314403/step, 0.183402 hours remaining, 239.527344 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: 4790000 3997.4106 20586.1590 14522.1552 228.7655 -204198.6006 2807.6441 0.0000 0.0000 52296.8513 -109759.6150 300.5507 -162056.4663 -109401.2413 298.6763 150.4307 176.6305 760969.8756 -0.6050 -0.7430 PRESSURE: 4790200 141.198 5.93644 -114.149 5.93685 -67.0308 -69.6416 -114.149 -69.6417 -195.569 GPRESSURE: 4790200 90.234 -182.404 -134.875 19.3679 121.997 -24.9988 -15.0743 -63.9327 -230.406 PRESSAVG: 4790200 29.7634 -18.4225 -18.9572 -18.4226 -30.8624 60.1514 -18.9572 60.1515 21.5246 GPRESSAVG: 4790200 28.617 -17.9099 -18.3456 -18.3243 -28.8814 60.1127 -18.9458 61.2922 21.4924 TIMING: 4790200 CPU: 15190.5, 0.0031362/step Wall: 15190.5, 0.0031362/step, 0.182771 hours remaining, 239.527344 MB of memory in use. ENERGY: 4790200 4015.7480 20523.3737 14536.8471 261.1071 -203455.5128 2691.9206 0.0000 0.0000 51934.1351 -109492.3813 298.4662 -161426.5163 -109136.3810 299.0583 -40.4673 -6.0583 761491.4212 6.8085 7.0760 PRESSURE: 4790400 431.751 12.8361 -69.3981 12.8365 -63.5662 -12.4642 -69.3991 -12.4649 6.39766 GPRESSURE: 4790400 478.126 52.541 -46.1332 -1.06209 -5.3787 -65.183 -52.3268 -108.329 -8.49427 PRESSAVG: 4790400 25.2604 19.9144 8.05303 19.9144 -13.0251 -4.06407 8.05308 -4.06408 -7.06318 GPRESSAVG: 4790400 26.9352 21.4977 9.184 18.3882 -13.9602 -4.39768 6.649 -4.25291 -7.88265 TIMING: 4790400 CPU: 15191.1, 0.00312152/step Wall: 15191.1, 0.00312152/step, 0.181742 hours remaining, 239.527344 MB of memory in use. ENERGY: 4790400 4039.7686 20507.9473 14457.5607 255.6507 -203444.5175 2654.4364 0.0000 0.0000 52044.8376 -109484.3162 299.1024 -161529.1538 -109123.7560 299.4645 124.8607 154.7509 760271.2047 1.7240 1.6975 PRESSURE: 4790600 -269.79 8.33144 44.732 8.33188 188.009 -137.227 44.7311 -137.227 -55.6681 GPRESSURE: 4790600 -247.888 -26.0003 37.1822 74.4414 186.478 -121.16 106.4 -28.9083 2.36482 PRESSAVG: 4790600 -11.2775 20.9976 -40.5486 20.9976 -5.55071 7.28722 -40.5486 7.28721 -6.14366 GPRESSAVG: 4790600 -10.6976 19.6971 -42.844 22.3219 -6.55215 7.56276 -38.9906 7.1105 -5.50968 TIMING: 4790600 CPU: 15191.8, 0.00312931/step Wall: 15191.8, 0.00312931/step, 0.182022 hours remaining, 239.527344 MB of memory in use. ENERGY: 4790600 3994.4688 20609.5443 14545.1521 254.5523 -203120.6372 2313.7820 0.0000 0.0000 51865.6058 -109537.5320 298.0723 -161403.1378 -109170.7889 299.4311 -45.8165 -19.6820 761258.9448 -7.6573 -7.5865 PRESSURE: 4790800 8.50404 162.917 -179.045 162.917 119.416 110.635 -179.045 110.635 -75.9539 GPRESSURE: 4790800 41.0166 169.15 -96.2564 222.477 149.63 142.823 -138.719 62.0673 -66.2575 PRESSAVG: 4790800 46.3517 56.4243 -26.6052 56.4243 -45.1065 -32.5609 -26.6053 -32.5608 16.2821 GPRESSAVG: 4790800 44.74 56.9103 -25.1246 57.2854 -43.94 -32.1629 -27.5194 -31.2575 17.1032 TIMING: 4790800 CPU: 15192.4, 0.00313787/step Wall: 15192.4, 0.00313787/step, 0.182345 hours remaining, 239.527344 MB of memory in use. ENERGY: 4790800 3979.0747 20577.2027 14494.6347 247.9611 -203471.2508 2571.0771 0.0000 0.0000 51971.9698 -109629.3306 298.6836 -161601.3004 -109258.1076 299.2057 17.3222 41.4630 760507.7530 5.8424 5.9677 PRESSURE: 4791000 157.566 -84.8967 177.619 -84.8973 -69.3467 222.793 177.619 222.793 122.056 GPRESSURE: 4791000 64.6367 -148.54 156.559 -97.596 15.1132 136.057 104.584 288.475 194.047 PRESSAVG: 4791000 36.7684 -2.02611 -22.4082 -2.0261 -56.465 36.6698 -22.4082 36.6698 20.86 GPRESSAVG: 4791000 36.8747 -2.40762 -22.1569 -2.69453 -56.3982 35.2569 -23.5649 35.9377 20.5471 TIMING: 4791000 CPU: 15193, 0.00313165/step Wall: 15193, 0.00313165/step, 0.18181 hours remaining, 239.527344 MB of memory in use. ENERGY: 4791000 3940.1871 20704.8738 14406.0291 256.1070 -203701.3543 2664.2704 0.0000 0.0000 52232.1893 -109497.6976 300.1791 -161729.8869 -109138.1686 299.5560 70.0919 91.2656 761539.7978 0.3878 0.3412 PRESSURE: 4791200 -129.639 -70.9077 -268.364 -70.9077 -113.939 150.248 -268.363 150.248 81.3277 GPRESSURE: 4791200 -18.0376 -49.1439 -140.973 -39.6026 -110.665 243.412 -280.985 128.567 34.4668 PRESSAVG: 4791200 1.02676 82.0423 -6.01793 82.0423 31.6388 30.6893 -6.01799 30.6893 -1.0265 GPRESSAVG: 4791200 2.19675 79.7875 -6.8966 84.3423 31.5699 31.7094 -5.05479 29.0809 -1.82468 TIMING: 4791200 CPU: 15193.6, 0.00315029/step Wall: 15193.6, 0.00315029/step, 0.182717 hours remaining, 239.527344 MB of memory in use. ENERGY: 4791200 3999.4186 20602.4758 14538.2050 249.8182 -203686.7387 2777.3968 0.0000 0.0000 52233.8033 -109285.6211 300.1884 -161519.4244 -108929.7041 299.5975 -54.0834 -31.4119 761690.9989 10.5464 10.6473 PRESSURE: 4791400 329.233 282.504 172.148 282.503 -340.225 -131.844 172.148 -131.843 185.467 GPRESSURE: 4791400 335.015 300.675 100.313 219.433 -308.583 -167.926 148.554 1.39136 234.284 PRESSAVG: 4791400 -7.53499 58.1745 30.7171 58.1745 -14.234 16.8744 30.7171 16.8745 2.28885 GPRESSAVG: 4791400 -8.61102 60.4828 32.1294 55.8215 -14.2334 16.2011 30.1311 18.0676 3.26252 TIMING: 4791400 CPU: 15194.3, 0.00313297/step Wall: 15194.3, 0.00313297/step, 0.181538 hours remaining, 239.527344 MB of memory in use. ENERGY: 4791400 4012.6671 20595.1641 14439.4355 249.6755 -203515.2737 2748.3333 0.0000 0.0000 52087.1143 -109382.8838 299.3454 -161469.9981 -109034.8969 299.7406 58.1582 86.9052 760888.8548 -6.4934 -6.5273 PRESSURE: 4791600 145.672 4.60635 -123.08 4.60627 -266.769 -266.222 -123.079 -266.223 279.638 GPRESSURE: 4791600 104.659 -59.6853 -52.1392 45.5792 -124.054 -257.153 -255.213 -265.682 273.247 PRESSAVG: 4791600 14.2159 51.6358 43.6876 51.6359 -12.8066 -26.7945 43.6876 -26.7944 -2.88771 GPRESSAVG: 4791600 14.318 49.7267 44.4394 52.1775 -12.7442 -26.8883 43.1271 -25.4391 -2.72527 TIMING: 4791600 CPU: 15194.9, 0.00312479/step Wall: 15194.9, 0.00312479/step, 0.180891 hours remaining, 239.527344 MB of memory in use. ENERGY: 4791600 3975.2319 20623.1297 14572.3451 227.6066 -203492.1636 2624.9367 0.0000 0.0000 52045.9670 -109422.9465 299.1089 -161468.9136 -109064.4944 299.6149 52.8469 84.6175 761082.8456 -0.4928 -0.3838 PRESSURE: 4791800 -552.878 68.1722 19.1463 68.1722 161.092 85.4037 19.1459 85.4049 -392.089 GPRESSURE: 4791800 -410.57 2.81329 52.3641 63.0321 146.325 31.931 109.1 146.707 -397.094 PRESSAVG: 4791800 32.3601 -1.44199 8.54173 -1.44194 -21.4037 13.3391 8.54178 13.3391 20.8745 GPRESSAVG: 4791800 33.2559 -2.75661 6.24116 -1.28125 -22.1391 13.4632 8.88467 13.2274 20.9504 TIMING: 4791800 CPU: 15195.5, 0.00311892/step Wall: 15195.5, 0.00311892/step, 0.180378 hours remaining, 239.527344 MB of memory in use. ENERGY: 4791800 4057.2208 20561.4952 14442.7379 248.4176 -203584.7326 2741.1353 0.0000 0.0000 52219.0334 -109314.6925 300.1035 -161533.7259 -108940.8457 299.9704 -261.2918 -220.4464 761786.7574 10.6103 10.6891 PRESSURE: 4792000 -281.558 125.476 33.0034 125.477 185.747 212.501 33.0042 212.501 -300.19 GPRESSURE: 4792000 -317.754 20.3966 108.012 120.538 198.72 98.9038 116.959 57.9384 -216.759 PRESSAVG: 4792000 -49.2979 42.2081 36.2236 42.2081 13.9367 24.9691 36.2236 24.969 -10.7354 GPRESSAVG: 4792000 -49.2076 46.4209 37.7228 41.7118 13.8927 25.0765 36.4511 23.5447 -10.6039 TIMING: 4792000 CPU: 15196.1, 0.00312869/step Wall: 15196.1, 0.00312869/step, 0.180769 hours remaining, 239.527344 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: 4792000 4109.1357 20641.1838 14468.2791 232.8716 -203357.3894 2506.7529 0.0000 0.0000 52099.4571 -109299.7092 299.4163 -161399.1663 -108941.0662 299.6513 -132.0003 -111.9310 761962.8283 -15.3655 -15.3063 PRESSURE: 4792200 414.627 35.2766 -87.9543 35.2764 376.057 97.2218 -87.9543 97.2215 258.473 GPRESSURE: 4792200 489.985 43.1949 -103.108 70.273 357.124 137.934 -112.971 57.0973 284.013 PRESSAVG: 4792200 10.9816 27.2913 50.2949 27.2912 -26.6962 -5.5488 50.2949 -5.5488 -2.53215 GPRESSAVG: 4792200 11.8764 25.7682 49.5121 27.9489 -26.6843 -5.38859 49.1326 -5.94024 -3.18498 TIMING: 4792200 CPU: 15196.8, 0.00310942/step Wall: 15196.8, 0.00310942/step, 0.179483 hours remaining, 239.527344 MB of memory in use. ENERGY: 4792200 4016.3024 20487.0103 14472.9915 252.7902 -203786.7229 3066.8983 0.0000 0.0000 52024.9572 -109465.7731 298.9881 -161490.7303 -109108.3553 299.3902 349.7189 377.0409 760290.8848 -6.0822 -5.9976 LDB: ============= START OF LOAD BALANCING ============== 15209.2 LDB: ============== END OF LOAD BALANCING =============== 15209.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15209.2 LDB: ============= START OF LOAD BALANCING ============== 15209.5 LDB: Largest compute 7068 load 0.032544 is 16.6% of average load 0.195568 LDB: Average compute 0.004359 is 2.2% of average load 0.195568 LDB: TIME 15209.5 LOAD: AVG 0.195568 MAX 0.216889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.582 MB LDB: TIME 15209.5 LOAD: AVG 0.195568 MAX 0.216889 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.656 MB LDB: TIME 15209.5 LOAD: AVG 0.195568 MAX 0.216889 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.656 MB LDB: ============== END OF LOAD BALANCING =============== 15209.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15209.5 PRESSURE: 4792400 -110.797 -69.3054 97.8336 -69.3058 -160.557 54.6406 97.8339 54.6406 -231.354 GPRESSURE: 4792400 -84.204 -84.6821 177.757 -82.596 -118.577 81.7616 59.411 -75.2804 -227.696 PRESSAVG: 4792400 -9.724 -13.3597 54.9214 -13.3597 32.3578 -47.5668 54.9215 -47.5668 34.1573 GPRESSAVG: 4792400 -9.83944 -13.6809 56.6901 -14.2793 33.0003 -46.8284 56.5613 -46.9091 33.7365 TIMING: 4792400 CPU: 15197.4, 0.00319033/step Wall: 15197.4, 0.00319033/step, 0.183976 hours remaining, 241.949219 MB of memory in use. ENERGY: 4792400 4038.3261 20459.2929 14470.3513 229.6932 -203275.4642 2411.8488 0.0000 0.0000 52122.7570 -109543.1948 299.5502 -161665.9519 -109179.3110 299.3819 -167.5695 -143.4923 762487.9284 18.9304 18.9658 PRESSURE: 4792600 -240.982 206.238 -134.296 206.239 -296.947 67.0395 -134.296 67.0393 -584.729 GPRESSURE: 4792600 -214.554 139.63 -44.2647 160.242 -309.197 27.7983 -103.981 119.659 -511.513 PRESSAVG: 4792600 24.7116 -46.7673 4.35134 -46.7673 -27.1058 2.93664 4.35129 2.93662 -7.08955 GPRESSAVG: 4792600 24.48 -44.7913 1.16181 -47.2949 -27.7943 2.97668 5.80158 4.48473 -5.73846 TIMING: 4792600 CPU: 15198, 0.00313228/step Wall: 15198, 0.00313228/step, 0.180454 hours remaining, 242.152344 MB of memory in use. ENERGY: 4792600 4090.8664 20594.7378 14468.1369 247.7580 -203342.7343 2298.3550 0.0000 0.0000 52083.4606 -109559.4195 299.3244 -161642.8802 -109194.1975 299.2283 -374.2195 -345.0880 761073.2750 -3.1613 -3.0176 PRESSURE: 4792800 397.706 -194.912 -362.197 -194.912 251.695 87.5868 -362.197 87.5868 151.844 GPRESSURE: 4792800 413.374 -12.253 -383.135 -150.454 236.564 90.3543 -343.096 97.1487 232.217 PRESSAVG: 4792800 4.65703 -55.6493 13.0095 -55.6493 -21.5369 -1.26617 13.0095 -1.26617 8.80844 GPRESSAVG: 4792800 3.42186 -58.076 14.3313 -53.2184 -20.5895 -1.84567 10.6304 -3.25812 9.21055 TIMING: 4792800 CPU: 15198.7, 0.00314236/step Wall: 15198.7, 0.00314236/step, 0.18086 hours remaining, 242.152344 MB of memory in use. ENERGY: 4792800 4011.5885 20537.5669 14513.2841 240.8994 -203578.3015 2656.5792 0.0000 0.0000 52156.9880 -109461.3953 299.7469 -161618.3834 -109102.3172 299.2995 267.0818 294.0517 760062.5319 -2.6905 -2.6524 PRESSURE: 4793000 -306.086 -185.05 144.327 -185.05 10.2501 200.97 144.327 200.969 -126.233 GPRESSURE: 4793000 -296.703 -202.486 130.777 -99.1252 1.22541 156.394 114.335 34.7928 -44.4707 PRESSAVG: 4793000 -11.6908 -39.9493 25.6652 -39.9493 -46.2678 48.0327 25.6652 48.0326 15.6766 GPRESSAVG: 4793000 -11.7052 -40.1073 24.9071 -40.5357 -47.2024 48.5196 26.1005 47.8737 15.8329 TIMING: 4793000 CPU: 15199.3, 0.00312852/step Wall: 15199.3, 0.00312852/step, 0.17989 hours remaining, 242.152344 MB of memory in use. ENERGY: 4793000 3986.8024 20595.2105 14555.3087 246.1492 -203148.5389 2442.3337 0.0000 0.0000 52160.7214 -109162.0130 299.7684 -161322.7344 -108804.3990 300.0663 -140.6896 -113.3160 762017.0100 -14.0940 -14.3582 PRESSURE: 4793200 -61.2075 -34.8773 99.7282 -34.8759 51.5127 226.248 99.7291 226.249 -279.267 GPRESSURE: 4793200 -0.412138 18.5287 114.1 -32.3293 43.7354 297.974 92.0863 212.094 -273.455 PRESSAVG: 4793200 -0.265653 38.835 26.1242 38.835 9.8055 67.3497 26.1242 67.3497 29.3364 GPRESSAVG: 4793200 -0.117101 39.3352 27.7144 38.3929 10.0598 67.6343 23.7357 67.6117 28.5745 TIMING: 4793200 CPU: 15199.9, 0.00313251/step Wall: 15199.9, 0.00313251/step, 0.179945 hours remaining, 242.152344 MB of memory in use. ENERGY: 4793200 4047.2109 20481.3069 14440.9518 261.9648 -203280.2923 2558.9423 0.0000 0.0000 52259.5046 -109230.4109 300.3361 -161489.9155 -108864.7960 300.2697 -96.3207 -76.7105 761564.7630 12.9587 12.8391 PRESSURE: 4793400 -52.2042 -335.437 -71.7728 -335.437 204.635 71.2735 -71.7728 71.2734 -48.9738 GPRESSURE: 4793400 -40.6368 -258.487 -66.3325 -127.117 293.767 116.805 -51.27 55.4606 -97.3159 PRESSAVG: 4793400 -23.4043 -3.23362 -24.4054 -3.23361 -5.11274 21.2359 -24.4055 21.2359 23.2 GPRESSAVG: 4793400 -23.3403 -1.56554 -24.9738 -2.23376 -5.34406 20.7317 -21.9357 22.5745 23.3463 TIMING: 4793400 CPU: 15200.5, 0.0031253/step Wall: 15200.5, 0.0031253/step, 0.179357 hours remaining, 242.152344 MB of memory in use. ENERGY: 4793400 3961.6395 20617.4372 14473.3444 253.5211 -203318.1782 2747.4017 0.0000 0.0000 51967.9992 -109296.8351 298.6608 -161264.8343 -108935.2397 299.4793 34.4856 51.9381 762171.7292 -1.7724 -1.7794 PRESSURE: 4793600 140.339 -19.2626 6.03904 -19.2624 182.269 -154.656 6.03889 -154.657 80.9375 GPRESSURE: 4793600 145.421 27.9783 -66.2076 132.799 315.914 -205.169 13.3377 -149.527 46.4621 PRESSAVG: 4793600 12.9284 -10.8874 28.4586 -10.8873 -26.8443 -3.5092 28.4585 -3.50919 22.288 GPRESSAVG: 4793600 13.0449 -12.4595 29.2581 -11.1551 -27.2674 -4.94511 27.3009 -4.05144 22.5835 TIMING: 4793600 CPU: 15201.2, 0.00314354/step Wall: 15201.2, 0.00314354/step, 0.180229 hours remaining, 242.152344 MB of memory in use. ENERGY: 4793600 3957.1069 20485.2675 14543.5896 248.0949 -203822.8688 3104.3215 0.0000 0.0000 52101.4440 -109383.0444 299.4277 -161484.4884 -109021.9722 299.6136 134.5151 169.2658 761191.7608 2.7907 2.7870 PRESSURE: 4793800 -508.117 120.227 89.4365 120.227 -385.628 74.2111 89.4355 74.2103 -285.34 GPRESSURE: 4793800 -540.75 156.255 165.214 24.552 -290.502 69.3058 21.3483 52.6435 -249.114 PRESSAVG: 4793800 1.34669 5.91196 13.3032 5.91195 24.5679 -14.0287 13.3033 -14.0286 -11.167 GPRESSAVG: 4793800 1.36869 5.92025 12.5111 3.13047 23.852 -11.9982 13.9186 -14.2101 -10.9098 TIMING: 4793800 CPU: 15201.8, 0.00314717/step Wall: 15201.8, 0.00314717/step, 0.180263 hours remaining, 242.152344 MB of memory in use. ENERGY: 4793800 3977.2098 20500.2174 14507.8226 250.4081 -202988.5237 2107.1846 0.0000 0.0000 52205.5765 -109440.1047 300.0262 -161645.6813 -109071.2360 299.0520 -393.0285 -360.1221 763079.9463 4.9159 4.7703 PRESSURE: 4794000 -144.032 -115.808 -85.5041 -115.808 -408.131 148.673 -85.5045 148.673 115.97 GPRESSURE: 4794000 -47.5175 2.42567 -6.16092 -68.7945 -355.085 88.9854 -56.2352 125.561 50.5046 PRESSAVG: 4794000 -22.4562 -22.7296 -8.55635 -22.7295 2.16169 8.2956 -8.55634 8.29565 7.57751 GPRESSAVG: 4794000 -22.5387 -21.5969 -7.74817 -21.6698 3.14888 7.32829 -8.02279 9.21353 6.64695 TIMING: 4794000 CPU: 15202.4, 0.00313792/step Wall: 15202.4, 0.00313792/step, 0.179559 hours remaining, 242.152344 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: 4794000 4039.8675 20406.7072 14417.1682 259.7739 -203048.4666 2313.9105 0.0000 0.0000 52111.0838 -109499.9554 299.4831 -161611.0392 -109129.8838 298.7999 -145.3975 -117.3661 760295.1664 -4.2390 -4.2476 PRESSURE: 4794200 -64.7289 48.5147 -205.133 48.5138 -272.014 213.103 -205.133 213.104 -199.999 GPRESSURE: 4794200 -92.0967 18.756 -223.206 69.2456 -145.6 134.208 -135.114 215.15 -220.425 PRESSAVG: 4794200 63.9938 39.2724 70.4463 39.2724 -75.2987 -2.78715 70.4464 -2.78708 -7.51484 GPRESSAVG: 4794200 63.9219 39.039 69.6913 40.2398 -75.3073 -3.99882 72.6194 -0.644432 -7.49046 TIMING: 4794200 CPU: 15203, 0.00311254/step Wall: 15203, 0.00311254/step, 0.177934 hours remaining, 242.152344 MB of memory in use. ENERGY: 4794200 3963.2907 20357.0697 14471.6144 252.8476 -203282.0233 2352.1369 0.0000 0.0000 52191.3963 -109693.6678 299.9447 -161885.0641 -109325.0337 298.7034 -178.9138 -152.7074 761851.7548 -6.2732 -6.2919 PRESSURE: 4794400 -101.373 179.106 81.0627 179.107 75.586 -86.9292 81.0625 -86.9289 -18.0488 GPRESSURE: 4794400 32.1127 149.92 14.7955 186.98 10.8824 -110.943 40.2727 7.66821 -11.2984 PRESSAVG: 4794400 55.6744 34.3455 35.0176 34.3454 -87.7483 7.82383 35.0176 7.82385 -21.0858 GPRESSAVG: 4794400 55.5037 34.5034 35.3804 33.5118 -87.6463 7.03333 33.0589 7.32461 -21.1342 TIMING: 4794400 CPU: 15203.7, 0.00314037/step Wall: 15203.7, 0.00314037/step, 0.17935 hours remaining, 242.152344 MB of memory in use. ENERGY: 4794400 3955.9351 20429.0767 14402.1854 239.3649 -203331.5941 2613.5485 0.0000 0.0000 52079.1196 -109612.3638 299.2994 -161691.4834 -109253.4387 298.5898 -14.6119 10.5655 763215.7436 -17.7199 -17.7589 PRESSURE: 4794600 241.095 -59.2575 166.201 -59.2576 356.353 -82.8495 166.201 -82.8495 293.635 GPRESSURE: 4794600 271.376 -168.911 177.651 -26.5749 375.08 -122.22 91.8988 -73.3514 331.646 PRESSAVG: 4794600 3.28398 3.00111 6.87919 3.00111 -14.909 -25.7051 6.87915 -25.705 11.6732 GPRESSAVG: 4794600 2.91955 2.02881 5.78043 4.04589 -14.9185 -23.7413 7.67477 -28.4375 12.1696 TIMING: 4794600 CPU: 15204.3, 0.00314376/step Wall: 15204.3, 0.00314376/step, 0.179369 hours remaining, 242.152344 MB of memory in use. ENERGY: 4794600 3964.8954 20495.4109 14449.7472 240.8676 -203665.7113 2891.1028 0.0000 0.0000 52114.5661 -109509.1212 299.5031 -161623.6873 -109156.7654 298.7192 297.0276 326.0342 760964.1638 0.0161 0.0569 PRESSURE: 4794800 62.3235 17.7926 43.0345 17.7918 106.06 46.5418 43.0348 46.5419 -30.516 GPRESSURE: 4794800 80.7708 175.831 27.4644 22.494 132.174 160.137 94.406 -36.1745 12.92 PRESSAVG: 4794800 -3.85586 8.07169 62.7461 8.07169 -13.6583 -18.8073 62.7461 -18.8072 15.2076 GPRESSAVG: 4794800 -1.96409 9.04842 64.2573 7.4265 -14.3919 -19.4586 62.213 -17.9689 14.1425 TIMING: 4794800 CPU: 15204.9, 0.00314064/step Wall: 15204.9, 0.00314064/step, 0.179016 hours remaining, 242.152344 MB of memory in use. ENERGY: 4794800 4022.5629 20624.9623 14396.8640 251.3320 -203552.6701 2713.3512 0.0000 0.0000 52184.6458 -109358.9519 299.9059 -161543.5977 -108993.6514 299.4231 45.9560 75.2883 761529.2966 -0.7688 -0.7378 PRESSURE: 4795000 -372.43 67.0055 95.9292 67.0061 -27.713 -15.8673 95.9296 -15.8684 26.2212 GPRESSURE: 4795000 -232.17 41.7238 67.2556 106.799 -84.6147 -72.7816 112.923 142.63 28.9606 PRESSAVG: 4795000 48.3051 28.4046 74.1585 28.4046 -40.7708 4.69452 74.1585 4.69452 -2.66157 GPRESSAVG: 4795000 49.1301 27.2694 73.3052 26.355 -41.6879 3.80513 72.5648 6.79452 -2.26287 TIMING: 4795000 CPU: 15205.6, 0.00313669/step Wall: 15205.6, 0.00313668/step, 0.178616 hours remaining, 242.152344 MB of memory in use. ENERGY: 4795000 3954.2608 20491.9654 14455.6277 265.1542 -203392.9689 2605.5239 0.0000 0.0000 52174.5223 -109445.9145 299.8477 -161620.4368 -109095.0747 299.6018 -124.6407 -95.9414 761298.6507 1.6242 1.7264 PRESSURE: 4795200 80.1376 13.8668 -49.7315 13.8668 83.8264 155.478 -49.731 155.477 -278.23 GPRESSURE: 4795200 62.6592 -76.4816 -107.715 -22.7041 117.817 132.952 22.2789 212.456 -216.032 PRESSAVG: 4795200 83.8357 37.9582 39.88 37.9582 -55.6214 50.2846 39.88 50.2846 14.5795 GPRESSAVG: 4795200 83.8719 37.3661 40.9431 41.6018 -55.2222 52.8926 41.0192 47.3718 13.6645 TIMING: 4795200 CPU: 15206.2, 0.00314141/step Wall: 15206.2, 0.00314141/step, 0.178712 hours remaining, 242.152344 MB of memory in use. ENERGY: 4795200 4059.3517 20583.6665 14554.0761 257.3621 -203289.9109 2393.7860 0.0000 0.0000 52124.9219 -109316.7465 299.5626 -161441.6684 -108957.9757 300.0978 -38.0886 -11.8522 760131.0219 14.2646 14.1047 PRESSURE: 4795400 172.44 98.0301 -64.6468 98.0295 -135.511 -56.7375 -64.6467 -56.7363 33.3316 GPRESSURE: 4795400 124.826 117.317 -45.4999 -51.3921 -38.1715 -19.7174 -84.6832 -148.38 36.4277 PRESSAVG: 4795400 43.1933 -7.62943 50.2186 -7.62945 -40.3882 -4.23359 50.2186 -4.23356 -17.7152 GPRESSAVG: 4795400 41.7808 -8.09424 47.8174 -8.51144 -40.0781 -5.44771 51.2975 -1.39307 -16.6971 TIMING: 4795400 CPU: 15206.8, 0.00310723/step Wall: 15206.8, 0.00310723/step, 0.176594 hours remaining, 242.152344 MB of memory in use. ENERGY: 4795400 3957.5418 20698.0629 14485.0873 249.9378 -203787.3925 2703.5442 0.0000 0.0000 51955.2861 -109737.9324 298.5877 -161693.2185 -109382.0978 299.3868 23.4203 41.0275 761929.3220 -4.9700 -4.9982 PRESSURE: 4795600 150.285 -13.1029 -142.504 -13.102 -73.2696 233.735 -142.504 233.735 140.467 GPRESSURE: 4795600 191.166 -4.9739 -167.51 3.54394 -22.3988 175.279 -118.601 232.734 138.858 PRESSAVG: 4795600 -26.7299 25.4318 -28.8393 25.4318 20.7204 18.4549 -28.8393 18.455 18.0979 GPRESSAVG: 4795600 -26.5371 26.5001 -28.8823 26.4775 21.1113 18.9872 -27.4154 15.3582 17.2202 TIMING: 4795600 CPU: 15207.4, 0.00311605/step Wall: 15207.4, 0.00311605/step, 0.176922 hours remaining, 242.152344 MB of memory in use. ENERGY: 4795600 3954.1932 20535.7486 14486.8610 239.4529 -204094.7046 2964.5132 0.0000 0.0000 52138.9672 -109774.9685 299.6434 -161913.9358 -109412.8443 299.1325 72.4941 102.5416 760155.8163 4.0295 3.9315 PRESSURE: 4795800 174.916 20.3422 110.853 20.3425 154.911 66.1358 110.853 66.1351 103.581 GPRESSURE: 4795800 216.5 115.686 59.5826 -38.568 226.224 9.91026 33.2842 67.4271 79.7776 PRESSAVG: 4795800 18.063 -9.86966 -0.100614 -9.86973 -12.1586 12.984 -0.100656 12.984 -4.18362 GPRESSAVG: 4795800 18.113 -10.745 2.67012 -9.92782 -11.7603 11.1508 -2.53669 14.3419 -4.29926 TIMING: 4795800 CPU: 15208.1, 0.00312432/step Wall: 15208.1, 0.00312432/step, 0.177219 hours remaining, 242.152344 MB of memory in use. ENERGY: 4795800 3945.8097 20617.8995 14518.8839 253.5565 -203689.6695 2627.8094 0.0000 0.0000 51972.1343 -109753.5761 298.6846 -161725.7104 -109380.7310 298.4787 144.4694 174.1672 759705.5330 0.5736 0.6845 PRESSURE: 4796000 409.235 101.621 39.5354 101.62 123.23 8.53521 39.5358 8.53601 398.188 GPRESSURE: 4796000 373.3 179.729 39.8837 70.9591 245.838 54.8775 77.5258 84.0087 396.227 PRESSAVG: 4796000 4.3628 5.74991 20.1198 5.7499 -3.42821 16.1919 20.1198 16.1919 -11.9467 GPRESSAVG: 4796000 4.74087 7.53452 18.052 2.87348 -4.08706 17.9023 22.831 15.4437 -11.8133 TIMING: 4796000 CPU: 15208.7, 0.00311017/step Wall: 15208.7, 0.00311017/step, 0.176243 hours remaining, 242.152344 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: 4796000 3963.7507 20535.4130 14487.7818 242.1522 -203823.0989 2742.3070 0.0000 0.0000 52019.4951 -109832.1990 298.9568 -161851.6941 -109472.6172 298.6549 310.2177 338.4550 759494.5674 -3.6707 -3.7198 PRESSURE: 4796200 -18.2266 -110.823 -167.484 -110.824 -425.338 -49.6397 -167.484 -49.6406 342.737 GPRESSURE: 4796200 6.19713 63.2155 -158.351 -149.014 -392.477 -58.9466 -147.137 -31.8112 375.854 PRESSAVG: 4796200 -24.9669 -18.6027 31.6953 -18.6027 -8.90191 23.977 31.6953 23.9771 -2.7719 GPRESSAVG: 4796200 -25.5985 -21.3651 31.5003 -17.5321 -8.44917 25.1602 29.574 23.7544 -2.08321 TIMING: 4796200 CPU: 15209.3, 0.00311239/step Wall: 15209.3, 0.00311239/step, 0.176196 hours remaining, 242.152344 MB of memory in use. ENERGY: 4796200 3961.6443 20640.2563 14494.8690 229.4639 -203766.9990 2636.3506 0.0000 0.0000 51976.5570 -109827.8577 298.7100 -161804.4147 -109466.5925 298.4384 -33.6092 -3.4753 762291.6128 -12.2136 -12.0436 LDB: ============= START OF LOAD BALANCING ============== 15221.7 LDB: ============== END OF LOAD BALANCING =============== 15221.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15221.8 LDB: ============= START OF LOAD BALANCING ============== 15222.1 LDB: Largest compute 7055 load 0.034258 is 17.5% of average load 0.195467 LDB: Average compute 0.004355 is 2.2% of average load 0.195467 LDB: TIME 15222.1 LOAD: AVG 0.195467 MAX 0.215339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 15222.1 LOAD: AVG 0.195467 MAX 0.215339 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 15222.1 LOAD: AVG 0.195467 MAX 0.215339 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 15222.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15222.1 PRESSURE: 4796400 19.4433 -116.045 -184.823 -116.045 18.6303 -8.22227 -184.824 -8.22282 7.95481 GPRESSURE: 4796400 52.6904 -41.0212 -230.402 -167.766 -13.1033 -40.8144 -197.108 -83.2951 52.7334 PRESSAVG: 4796400 9.32195 4.2561 -49.4351 4.25607 -37.5436 -40.6365 -49.435 -40.6364 3.52871 GPRESSAVG: 4796400 10.1929 5.7282 -48.8061 5.22061 -37.7271 -43.221 -47.9858 -39.0412 2.96869 TIMING: 4796400 CPU: 15209.9, 0.00316541/step Wall: 15209.9, 0.00316541/step, 0.179021 hours remaining, 239.324219 MB of memory in use. ENERGY: 4796400 3973.7383 20585.5994 14537.4845 239.6770 -204068.0214 2836.4689 0.0000 0.0000 52136.1930 -109758.8603 299.6274 -161895.0533 -109395.4863 298.5269 15.3428 30.7735 761172.8461 -8.2310 -8.1885 PRESSURE: 4796600 -194.863 10.396 -64.6068 10.3965 -181.399 199.257 -64.6052 199.256 190.203 GPRESSURE: 4796600 -187.46 17.6202 -70.1389 -72.0049 -68.7974 159.616 0.361366 230.66 144.782 PRESSAVG: 4796600 41.3884 6.72316 0.185053 6.7231 -21.6853 12.1576 0.18505 12.1576 2.0384 GPRESSAVG: 4796600 40.4581 7.46835 -0.207625 5.11603 -20.9156 13.6814 -0.933603 11.0486 2.06998 TIMING: 4796600 CPU: 15210.6, 0.00309947/step Wall: 15210.6, 0.00309947/step, 0.17512 hours remaining, 239.324219 MB of memory in use. ENERGY: 4796600 3982.9448 20669.7882 14519.7669 256.6494 -203661.5933 2612.4404 0.0000 0.0000 51960.5111 -109659.4925 298.6178 -161620.0036 -109306.9515 298.4976 -62.0197 -37.1585 762433.5810 7.2472 7.2041 PRESSURE: 4796800 323.14 79.5697 -10.4061 79.5694 -167.162 -43.2392 -10.4066 -43.2393 -296.325 GPRESSURE: 4796800 302.368 -16.916 9.32523 93.0776 -162.208 -58.8775 112.576 36.8511 -215.871 PRESSAVG: 4796800 43.1826 -11.4922 1.19266 -11.4922 -55.2074 12.8268 1.19266 12.8267 15.6186 GPRESSAVG: 4796800 44.0169 -13.3991 2.16053 -8.26217 -57.2905 12.7141 0.542357 11.5498 16.9417 TIMING: 4796800 CPU: 15211.2, 0.00312241/step Wall: 15211.2, 0.00312241/step, 0.176243 hours remaining, 239.324219 MB of memory in use. ENERGY: 4796800 3967.2222 20527.7452 14467.6709 235.2838 -203173.4575 2271.5494 0.0000 0.0000 52041.1101 -109662.8760 299.0810 -161703.9861 -109300.9817 298.6824 -46.7822 -25.2371 762318.4075 1.1979 1.2227 PRESSURE: 4797000 215.975 139.648 -150.223 139.647 -290.336 -209.464 -150.224 -209.465 191.479 GPRESSURE: 4797000 210.353 -19.6181 -189.432 158.299 -213.76 -75.5817 -129.87 -127.712 193.167 PRESSAVG: 4797000 15.2907 -13.928 24.3694 -13.928 -49.4629 45.3732 24.3694 45.3731 12.9945 GPRESSAVG: 4797000 14.1764 -14.3384 23.4199 -13.9433 -47.8845 44.7011 25.7351 47.0387 12.8032 TIMING: 4797000 CPU: 15211.8, 0.00311111/step Wall: 15211.8, 0.00311111/step, 0.175432 hours remaining, 239.324219 MB of memory in use. ENERGY: 4797000 3965.7840 20447.1988 14479.6501 234.2276 -203733.0252 2856.3166 0.0000 0.0000 51810.7090 -109939.1391 297.7569 -161749.8481 -109575.2330 298.4317 39.0393 63.2535 760085.7536 -7.0592 -6.9683 PRESSURE: 4797200 101.932 -140.241 116.725 -140.241 -98.7137 -40.5889 116.725 -40.5893 -163.221 GPRESSURE: 4797200 78.4308 -81.2511 155.093 -102.346 62.9934 -108.196 34.7342 -63.7589 -220.317 PRESSAVG: 4797200 33.3228 1.37808 -6.5872 1.37805 -19.3591 18.0342 -6.58725 18.0342 6.29497 GPRESSAVG: 4797200 34.2476 3.59403 -7.33213 -2.31211 -20.0645 17.8697 -6.37097 18.7697 6.45287 TIMING: 4797200 CPU: 15212.4, 0.00311282/step Wall: 15212.4, 0.00311282/step, 0.175355 hours remaining, 239.324219 MB of memory in use. ENERGY: 4797200 4027.0047 20494.8452 14513.8236 234.9701 -203482.1312 2500.5595 0.0000 0.0000 51531.1863 -110179.7418 296.1504 -161710.9282 -109824.3278 297.7057 -53.3343 -26.2976 762046.7797 6.7529 6.8786 PRESSURE: 4797400 -28.6024 6.18538 75.7275 6.18563 348.071 -67.6607 75.7273 -67.6599 190.827 GPRESSURE: 4797400 -27.6771 79.0404 -44.0472 -82.0389 349.899 -38.486 179.175 -87.4523 278.832 PRESSAVG: 4797400 40.3119 -2.00217 12.0781 -2.00214 -26.4301 -34.6093 12.0781 -34.6093 0.197504 GPRESSAVG: 4797400 39.5858 -2.06876 13.5291 -0.913487 -25.7082 -33.9374 10.8829 -36.2237 0.441868 TIMING: 4797400 CPU: 15213, 0.00310648/step Wall: 15213, 0.00310648/step, 0.174826 hours remaining, 239.324219 MB of memory in use. ENERGY: 4797400 3951.1665 20464.7427 14503.3549 254.0034 -204272.5810 3084.2894 0.0000 0.0000 51800.0432 -110214.9809 297.6956 -162015.0240 -109859.7470 297.6344 170.0985 200.3514 760465.4268 4.6931 4.7731 PRESSURE: 4797600 -123.644 -136.463 7.5383 -136.462 -268.66 -3.52412 7.53813 -3.5235 310.254 GPRESSURE: 4797600 -50.7872 -129.51 2.69763 -92.4211 -250.477 100.713 -5.04448 -8.88172 286.221 PRESSAVG: 4797600 7.54433 -23.6343 -1.60907 -23.6343 -5.69506 2.95392 -1.60906 2.95394 15.1207 GPRESSAVG: 4797600 8.4738 -24.358 -2.67374 -24.1205 -6.70994 0.130025 -0.390882 5.02117 14.6964 TIMING: 4797600 CPU: 15213.7, 0.00312763/step Wall: 15213.7, 0.00312763/step, 0.175842 hours remaining, 239.324219 MB of memory in use. ENERGY: 4797600 3974.8811 20595.9469 14423.6000 240.5760 -203784.1288 2623.0561 0.0000 0.0000 51895.7142 -110030.3545 298.2454 -161926.0687 -109674.4671 298.3468 -27.3498 -5.0143 760101.0147 5.6567 5.4867 PRESSURE: 4797800 295.212 -103.091 -186.226 -103.09 -274.879 87.796 -186.225 87.7964 -64.4513 GPRESSURE: 4797800 271.347 -28.6851 -179.63 -37.4906 -110.206 73.0851 -233.548 84.1325 -134.041 PRESSAVG: 4797800 3.46318 16.3714 -7.81812 16.3715 18.7459 -42.5853 -7.81811 -42.5854 31.5324 GPRESSAVG: 4797800 3.19557 15.6435 -7.55746 16.747 18.9701 -42.492 -8.11945 -42.3685 30.8943 TIMING: 4797800 CPU: 15214.3, 0.0031223/step Wall: 15214.3, 0.0031223/step, 0.175369 hours remaining, 239.324219 MB of memory in use. ENERGY: 4797800 3979.4159 20431.8519 14312.3608 214.1434 -203529.5340 2462.6819 0.0000 0.0000 51827.6644 -110301.4157 297.8543 -162129.0801 -109937.9369 298.0663 -14.7061 9.0333 760967.5473 17.9138 17.6867 PRESSURE: 4798000 -329.112 35.2803 277.266 35.2792 176.587 147.719 277.266 147.718 39.339 GPRESSURE: 4798000 -205.026 156.756 196.719 -55.4905 180.974 180.689 226.83 115.35 0.228709 PRESSAVG: 4798000 -15.204 28.0846 27.1189 28.0846 22.7828 14.8891 27.1189 14.8891 -2.0252 GPRESSAVG: 4798000 -14.5834 29.3753 29.1264 28.4456 21.1162 15.5858 25.5158 15.5943 -0.495899 TIMING: 4798000 CPU: 15214.9, 0.0031153/step Wall: 15214.9, 0.0031153/step, 0.174803 hours remaining, 239.324219 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: 4798000 3999.0473 20451.6959 14458.8307 238.8052 -203533.1845 2518.4238 0.0000 0.0000 51902.6922 -109963.6894 298.2855 -161866.3816 -109602.7208 297.6751 -37.7288 -7.9412 759281.6293 1.8512 2.0123 PRESSURE: 4798200 52.7958 226.244 -39.1473 226.244 -202.293 -73.7032 -39.1474 -73.7034 193.473 GPRESSURE: 4798200 83.6986 324.459 -154.749 93.5668 -195.044 -36.4979 -94.5889 -164.054 239.43 PRESSAVG: 4798200 19.559 -1.71234 -19.294 -1.71242 7.82081 -37.734 -19.2941 -37.734 -10.726 GPRESSAVG: 4798200 18.4822 -3.00319 -21.1615 0.0884301 9.75109 -37.8688 -16.2201 -39.613 -11.6988 TIMING: 4798200 CPU: 15215.5, 0.0031185/step Wall: 15215.5, 0.0031185/step, 0.174809 hours remaining, 239.324219 MB of memory in use. ENERGY: 4798200 3952.1862 20515.4975 14380.6307 259.2961 -203537.0781 2493.4026 0.0000 0.0000 51954.8444 -109981.2205 298.5852 -161936.0649 -109630.1392 298.5829 14.6585 42.6949 759871.9440 5.5513 5.5115 PRESSURE: 4798400 89.275 -261.025 -68.5567 -261.024 139.871 -156.196 -68.557 -156.195 116.723 GPRESSURE: 4798400 228.981 -265.796 31.1959 -242.519 77.5333 -185.484 -13.1264 -156.468 111.446 PRESSAVG: 4798400 -4.70576 21.9539 -16.8291 21.9538 19.9202 6.9156 -16.8291 6.91564 -8.43652 GPRESSAVG: 4798400 -4.96144 23.4095 -14.8823 21.3917 20.404 8.43684 -15.7338 6.19309 -8.55235 TIMING: 4798400 CPU: 15216.2, 0.0031134/step Wall: 15216.2, 0.0031134/step, 0.17435 hours remaining, 239.324219 MB of memory in use. ENERGY: 4798400 3911.7804 20477.9002 14413.8799 245.3563 -203743.2642 2890.9352 0.0000 0.0000 52112.1510 -109691.2613 299.4892 -161803.4123 -109328.8212 298.9234 115.2897 139.3200 761522.0574 2.2593 2.2967 PRESSURE: 4798600 -116.344 100.745 57.3517 100.744 -28.3364 -81.1649 57.3518 -81.1647 201.525 GPRESSURE: 4798600 -165.979 185.42 172.511 26.7868 19.2307 -90.4292 -22.9735 -62.6475 278.784 PRESSAVG: 4798600 49.4739 28.625 12.9983 28.625 -41.1641 4.31122 12.9983 4.31112 3.69507 GPRESSAVG: 4798600 49.6571 29.824 11.319 28.7306 -41.1789 0.58303 12.8733 5.82529 3.34807 TIMING: 4798600 CPU: 15216.8, 0.00312595/step Wall: 15216.8, 0.00312595/step, 0.17488 hours remaining, 239.324219 MB of memory in use. ENERGY: 4798600 3957.0878 20604.5650 14367.8145 251.9986 -203664.2445 2565.3812 0.0000 0.0000 51846.8393 -110070.5581 297.9645 -161917.3974 -109713.0623 298.4148 18.9482 44.0118 759391.6476 4.0016 3.9421 PRESSURE: 4798800 23.2149 -127.161 361.223 -127.16 100.888 -39.3363 361.224 -39.3366 323.183 GPRESSURE: 4798800 114.625 -15.9622 376.073 -117.874 143.619 -54.1666 240.584 -24.5886 290.749 PRESSAVG: 4798800 20.2023 13.4019 39.1428 13.4019 -13.953 36.803 39.1427 36.8029 -12.9395 GPRESSAVG: 4798800 20.3965 12.675 38.828 12.1296 -14.4635 38.9345 37.0118 36.8186 -12.84 TIMING: 4798800 CPU: 15217.4, 0.0031026/step Wall: 15217.4, 0.0031026/step, 0.173401 hours remaining, 239.324219 MB of memory in use. ENERGY: 4798800 4009.3377 20616.7966 14402.9644 252.1564 -203916.9747 2886.9010 0.0000 0.0000 51796.0721 -109952.7465 297.6727 -161748.8185 -109595.9434 298.3264 149.0953 182.9977 759537.9921 -2.2301 -2.3024 PRESSURE: 4799000 141.222 -179.106 -60.2266 -179.106 8.01819 -110.586 -60.2281 -110.585 1.86534 GPRESSURE: 4799000 231.702 -135.144 -90.6697 -124.372 -28.8239 -139.258 -51.5202 -88.2678 43.5844 PRESSAVG: 4799000 44.0463 -20.4297 3.544 -20.4297 -17.5699 -7.96014 3.544 -7.96011 -5.04101 GPRESSAVG: 4799000 44.9945 -20.8801 3.99614 -18.2174 -17.9956 -7.82593 4.44724 -7.04181 -5.60591 TIMING: 4799000 CPU: 15218, 0.00311915/step Wall: 15218, 0.00311915/step, 0.174153 hours remaining, 239.324219 MB of memory in use. ENERGY: 4799000 3897.7950 20577.5234 14387.2640 227.2686 -203707.9085 2710.7240 0.0000 0.0000 51799.2852 -110108.0483 297.6912 -161907.3334 -109763.9065 298.4320 50.3685 82.1540 759370.7059 7.1451 7.1310 PRESSURE: 4799200 -213.106 93.0065 -115.678 93.0058 -16.9584 308.898 -115.678 308.896 -300.855 GPRESSURE: 4799200 -214.66 -9.93956 -143.887 144.598 56.2048 255.683 -69.111 449.791 -279.303 PRESSAVG: 4799200 -42.5152 -53.8431 -10.3844 -53.8431 -1.25385 4.35348 -10.3844 4.35342 33.5764 GPRESSAVG: 4799200 -43.7755 -56.8891 -9.95873 -56.4413 -0.636087 2.99962 -10.9625 3.68627 33.7969 TIMING: 4799200 CPU: 15218.7, 0.00312455/step Wall: 15218.7, 0.00312455/step, 0.17428 hours remaining, 239.324219 MB of memory in use. ENERGY: 4799200 4041.2505 20476.1159 14407.1004 240.2454 -203865.4052 2742.9579 0.0000 0.0000 52053.0917 -109904.6434 299.1498 -161957.7351 -109533.5086 298.0626 -176.9733 -145.9193 762135.9976 -3.3975 -3.5382 PRESSURE: 4799400 353.959 155.341 -268.04 155.341 323.201 -98.1966 -268.04 -98.1975 -231.139 GPRESSURE: 4799400 333.26 85.4699 -282.936 104.363 268.672 -46.95 -203.642 -173.267 -74.2271 PRESSAVG: 4799400 -16.8163 -31.5716 -19.8616 -31.5716 28.2309 33.0932 -19.8616 33.0933 -9.48224 GPRESSAVG: 4799400 -15.3933 -28.4835 -19.9743 -31.4936 26.6946 34.07 -21.2626 32.9325 -9.42841 TIMING: 4799400 CPU: 15219.3, 0.00316353/step Wall: 15219.3, 0.00316353/step, 0.176279 hours remaining, 239.324219 MB of memory in use. ENERGY: 4799400 3995.5158 20640.7117 14405.9005 243.7244 -203263.5911 2261.9679 0.0000 0.0000 51785.2014 -109930.5694 297.6103 -161715.7708 -109566.5308 298.5410 148.6738 175.9016 759238.5264 0.6441 0.6243 PRESSURE: 4799600 -309.681 -306.927 98.2765 -306.926 -46.917 -69.0019 98.2754 -69.0009 202.568 GPRESSURE: 4799600 -203.717 -324.172 113.672 -198.197 -69.5635 -101.407 121.162 -57.4762 213.133 PRESSAVG: 4799600 14.5666 -103.469 38.8445 -103.469 -10.9222 16.4357 38.8445 16.4356 4.41261 GPRESSAVG: 4799600 13.3281 -104.975 38.5259 -101.842 -10.0594 16.8474 40.9674 13.9219 4.10642 TIMING: 4799600 CPU: 15219.9, 0.00313107/step Wall: 15219.9, 0.00313107/step, 0.174296 hours remaining, 239.324219 MB of memory in use. ENERGY: 4799600 3976.8207 20446.0235 14405.8981 249.9925 -203611.7477 2558.8519 0.0000 0.0000 52032.7583 -109941.4028 299.0330 -161974.1611 -109584.9306 298.3419 -51.3434 -20.0492 761467.7865 2.6857 2.4584 PRESSURE: 4799800 -444.865 56.733 -88.7185 56.7331 -137.69 -1.0504 -88.7183 -1.05128 -166.733 GPRESSURE: 4799800 -448.283 -39.937 -135.962 -76.7306 -93.3654 -67.6253 -141.207 82.5338 -138.126 PRESSAVG: 4799800 21.5878 -41.5603 13.5793 -41.5603 46.1081 -77.6714 13.5793 -77.6714 -19.0569 GPRESSAVG: 4799800 20.9482 -40.8223 12.6624 -41.0762 46.085 -77.4153 13.676 -78.2039 -19.016 TIMING: 4799800 CPU: 15220.5, 0.00313719/step Wall: 15220.5, 0.00313719/step, 0.174462 hours remaining, 239.324219 MB of memory in use. ENERGY: 4799800 4012.8384 20452.5405 14378.9813 254.9029 -203805.2552 2687.7996 0.0000 0.0000 51838.8284 -110179.3640 297.9185 -162018.1924 -109823.2562 298.1678 -249.7628 -226.5914 760405.9862 16.2130 16.0057 WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4800000 -112.625 16.421 -25.7442 16.421 172.326 37.3566 -25.7436 37.3567 -119.706 GPRESSURE: 4800000 -37.1482 27.9913 77.136 131.829 173.997 53.7598 -161.81 96.1957 -121.674 PRESSAVG: 4800000 -4.9325 -87.9451 -33.2412 -87.9451 29.0912 -39.4486 -33.2412 -39.4486 7.44281 GPRESSAVG: 4800000 -3.59118 -89.8378 -30.5829 -88.4203 29.3612 -39.8179 -35.0065 -38.3002 5.90075 TIMING: 4800000 CPU: 15221.2, 0.00326632/step Wall: 15221.2, 0.00326632/step, 0.181462 hours remaining, 239.324219 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: 4800000 4009.7191 20533.2481 14456.4979 238.5375 -204007.2028 2651.7007 0.0000 0.0000 51898.3285 -110219.1709 298.2604 -162117.4995 -109861.4588 297.3037 -20.0017 5.0584 759520.4028 10.5338 10.5569 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 PRESSURE: 4800200 6.36472 35.0658 -74.6373 35.066 39.5269 107.163 -74.6378 107.163 213.85 GPRESSURE: 4800200 84.2417 -17.6991 -21.8747 40.5199 97.7461 149.631 -96.2238 107.915 173.099 PRESSAVG: 4800200 -10.4973 -34.9176 19.2069 -34.9176 35.7284 -39.3359 19.2069 -39.336 9.52041 GPRESSAVG: 4800200 -10.7175 -33.1514 17.2112 -34.5217 34.196 -40.4976 20.158 -36.7682 11.054 TIMING: 4800200 CPU: 15221.8, 0.00313951/step Wall: 15221.8, 0.00313951/step, 0.174243 hours remaining, 239.324219 MB of memory in use. ENERGY: 4800200 3943.9677 20529.4479 14457.7849 257.7011 -203844.8709 2576.3369 0.0000 0.0000 51814.1305 -110265.5020 297.7765 -162079.6325 -109908.3345 297.7292 86.5805 118.3622 760360.8690 11.5838 11.5108 LDB: ============= START OF LOAD BALANCING ============== 15234.3 LDB: ============== END OF LOAD BALANCING =============== 15234.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15234.3 LDB: ============= START OF LOAD BALANCING ============== 15234.6 LDB: Largest compute 7054 load 0.032729 is 16.7% of average load 0.195696 LDB: Average compute 0.004365 is 2.2% of average load 0.195696 LDB: TIME 15234.6 LOAD: AVG 0.195696 MAX 0.219849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 15234.6 LOAD: AVG 0.195696 MAX 0.219849 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: TIME 15234.6 LOAD: AVG 0.195696 MAX 0.217569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.836 MB LDB: ============== END OF LOAD BALANCING =============== 15234.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15234.6 PRESSURE: 4800400 -116.024 90.4787 -131.567 90.4788 -121.883 109.009 -131.568 109.009 -291.236 GPRESSURE: 4800400 -100.502 100.019 -149.648 6.84241 -116.717 116.238 -55.2115 -9.60175 -247.492 PRESSAVG: 4800400 -39.8045 -6.8885 30.6414 -6.88849 -1.6763 35.0327 30.6414 35.0326 10.7724 GPRESSAVG: 4800400 -41.0873 -6.59522 30.945 -7.49599 -0.829779 35.699 30.9448 35.3136 11.4128 TIMING: 4800400 CPU: 15222.5, 0.00318908/step Wall: 15222.5, 0.00318908/step, 0.176817 hours remaining, 239.015625 MB of memory in use. ENERGY: 4800400 3919.9247 20582.5613 14424.0671 226.9176 -203640.2186 2438.9516 0.0000 0.0000 51824.2701 -110223.5262 297.8348 -162047.7963 -109858.1020 297.5908 -176.3809 -154.9039 761745.2450 -10.2361 -10.1681 PRESSURE: 4800600 -169.795 5.71882 -290.769 5.71899 204.454 -36.7087 -290.77 -36.7097 -381.676 GPRESSURE: 4800600 -144.503 67.7868 -285.794 28.2947 196.91 -12.8733 -333.479 -49.2762 -322.299 PRESSAVG: 4800600 -21.8086 -53.2493 20.1634 -53.2494 4.40627 -29.457 20.1635 -29.4569 -3.34063 GPRESSAVG: 4800600 -21.527 -51.9334 19.5334 -56.6661 4.54027 -28.7201 19.8761 -30.7806 -4.42218 TIMING: 4800600 CPU: 15223.1, 0.00312966/step Wall: 15223.1, 0.00312966/step, 0.173349 hours remaining, 239.015625 MB of memory in use. ENERGY: 4800600 4014.9835 20575.2393 14496.3533 265.1598 -203927.6762 2795.2017 0.0000 0.0000 51947.5988 -109833.1397 298.5436 -161780.7386 -109474.6190 297.9933 -115.6725 -89.9641 760574.2622 -6.9143 -7.1363 PRESSURE: 4800800 -156.967 -225.719 91.1437 -225.719 -189.473 -142.898 91.1439 -142.898 -97.4151 GPRESSURE: 4800800 -190.464 -165.246 129.661 -138.221 -123.72 -117.238 24.7243 -189.876 -57.1919 PRESSAVG: 4800800 -5.57465 19.1923 -16.9816 19.1923 52.8949 -28.6237 -16.9816 -28.6238 9.8272 GPRESSAVG: 4800800 -6.17283 18.7355 -14.5515 23.9397 53.4465 -27.5942 -17.6064 -30.4412 9.82838 TIMING: 4800800 CPU: 15223.7, 0.00311801/step Wall: 15223.7, 0.00311801/step, 0.17253 hours remaining, 239.015625 MB of memory in use. ENERGY: 4800800 3994.1998 20331.5615 14483.5029 231.7326 -203520.7594 2459.8509 0.0000 0.0000 52308.2437 -109711.6679 300.6162 -162019.9116 -109351.3034 298.4888 -147.9516 -123.7920 758527.5646 19.0492 19.0340 PRESSURE: 4801000 63.4896 85.3569 33.1965 85.3572 239.967 124.42 33.1965 124.42 -522.651 GPRESSURE: 4801000 122.381 45.1234 -5.60746 51.4835 218.397 130.971 -6.04597 229.364 -497.624 PRESSAVG: 4801000 1.47795 -34.0033 19.0123 -34.0033 22.8638 -13.8574 19.0123 -13.8574 -6.27897 GPRESSAVG: 4801000 1.65307 -34.9112 16.422 -34.7092 22.8537 -14.4017 18.3056 -13.5035 -6.90161 TIMING: 4801000 CPU: 15224.3, 0.00311679/step Wall: 15224.3, 0.00311679/step, 0.172289 hours remaining, 239.015625 MB of memory in use. ENERGY: 4801000 3919.4706 20604.2651 14498.6136 243.5704 -203575.5826 2660.7713 0.0000 0.0000 51964.4073 -109684.4842 298.6402 -161648.8915 -109330.2317 298.7310 -73.0646 -52.2819 759130.2691 6.0209 5.8684 PRESSURE: 4801200 -96.8431 124.507 -27.0109 124.508 -279.359 75.2376 -27.01 75.2375 114.327 GPRESSURE: 4801200 -35.2649 85.9755 0.0913944 -27.3815 -226.025 37.3671 92.681 130.269 87.2651 PRESSAVG: 4801200 99.0916 -91.1674 -25.3208 -91.1673 -101.602 -3.5016 -25.3208 -3.50163 12.4705 GPRESSAVG: 4801200 98.436 -92.0525 -25.4076 -95.1461 -101.462 -3.73744 -24.6724 -2.00856 12.8004 TIMING: 4801200 CPU: 15225, 0.00312538/step Wall: 15225, 0.00312538/step, 0.172591 hours remaining, 239.015625 MB of memory in use. ENERGY: 4801200 4014.4883 20419.9212 14467.9954 231.6654 -203734.1632 2719.4847 0.0000 0.0000 51993.2176 -109887.3907 298.8057 -161880.6082 -109526.2260 298.8394 -87.2919 -58.0083 760661.1004 3.3201 3.2582 PRESSURE: 4801400 -124.543 -132.148 -28.019 -132.148 -115.539 209.657 -28.0186 209.657 -282.604 GPRESSURE: 4801400 -90.0978 -63.3021 -19.0022 -182.605 -174.35 174.104 49.3689 149.215 -179.913 PRESSAVG: 4801400 30.5956 -19.1894 -54.3233 -19.1895 -28.0387 -19.5471 -54.3234 -19.5471 -8.23823 GPRESSAVG: 4801400 31.9387 -16.2098 -53.1049 -18.2821 -29.0967 -19.8897 -55.5543 -19.7042 -8.30918 TIMING: 4801400 CPU: 15225.6, 0.00314927/step Wall: 15225.6, 0.00314927/step, 0.173735 hours remaining, 239.015625 MB of memory in use. ENERGY: 4801400 4064.2964 20430.9743 14493.6935 245.3262 -203429.5248 2415.3163 0.0000 0.0000 51949.5256 -109830.3925 298.5546 -161779.9181 -109472.4757 298.5416 -174.2285 -148.1202 760166.8705 -1.8938 -1.8224 PRESSURE: 4801600 -24.5339 50.4294 -110.792 50.4292 -79.9031 -143.412 -110.792 -143.413 -244.665 GPRESSURE: 4801600 -62.983 124.844 -67.063 -53.9766 38.6148 -190.911 -140.278 -161.284 -221.361 PRESSAVG: 4801600 83.8495 -12.3972 -2.20415 -12.3971 -61.123 -28.665 -2.20412 -28.665 26.0229 GPRESSAVG: 4801600 82.7786 -13.9448 -1.50192 -11.717 -59.2861 -29.2209 -2.24645 -28.0791 25.8818 TIMING: 4801600 CPU: 15226.2, 0.00314515/step Wall: 15226.2, 0.00314515/step, 0.173333 hours remaining, 239.015625 MB of memory in use. ENERGY: 4801600 3984.1455 20592.8540 14563.8558 246.5192 -204033.3921 2865.7197 0.0000 0.0000 52274.4641 -109505.8339 300.4221 -161780.2980 -109141.4287 299.1398 -116.3672 -81.9099 760631.0886 16.2498 16.4581 PRESSURE: 4801800 275.262 -153.985 -27.2514 -153.985 -182.249 -79.3048 -27.252 -79.3046 216.655 GPRESSURE: 4801800 213.438 -130.429 -23.5054 -77.3963 -28.9965 -135.463 -41.386 -153.087 192.019 PRESSAVG: 4801800 -0.311953 -70.0679 26.4247 -70.0679 16.8675 -6.59724 26.4246 -6.59717 4.51336 GPRESSAVG: 4801800 1.03404 -69.2916 25.1837 -70.5701 15.7902 -7.40413 26.7377 -8.23428 4.77376 TIMING: 4801800 CPU: 15226.9, 0.00314606/step Wall: 15226.9, 0.00314606/step, 0.173208 hours remaining, 239.015625 MB of memory in use. ENERGY: 4801800 3953.4878 20433.3459 14493.4004 255.3534 -203325.1398 2641.9618 0.0000 0.0000 51987.9685 -109559.6220 298.7756 -161547.5905 -109194.0494 299.3302 103.2227 125.4871 760483.4242 7.0230 7.1993 PRESSURE: 4802000 -198.623 137.829 46.2155 137.829 -165.956 242.823 46.2153 242.823 -317.685 GPRESSURE: 4802000 -129.915 144.778 53.765 73.756 -163.27 168.854 13.3115 205.296 -297.582 PRESSAVG: 4802000 9.20994 -34.5808 -8.53708 -34.5809 -5.37399 -3.08153 -8.53702 -3.08155 12.7756 GPRESSAVG: 4802000 8.61199 -35.021 -8.06929 -34.564 -5.14023 -2.42002 -6.60104 -2.4531 12.8083 TIMING: 4802000 CPU: 15227.5, 0.00314999/step Wall: 15227.5, 0.00314999/step, 0.17325 hours remaining, 239.015625 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: 4802000 4019.7992 20507.1752 14361.2424 259.3008 -203580.7102 2612.5587 0.0000 0.0000 52115.1831 -109705.4508 299.5067 -161820.6339 -109346.9904 298.7227 -227.4214 -196.9221 761301.9516 5.5372 5.4267 PRESSURE: 4802200 11.004 255.718 90.6826 255.719 -26.4872 139.729 90.6825 139.728 -30.1609 GPRESSURE: 4802200 38.0692 156.017 85.8677 360.983 -59.6342 152.095 62.5315 170.452 61.4635 PRESSAVG: 4802200 12.2901 -17.2199 18.7385 -17.2198 10.6792 12.2372 18.7385 12.2371 18.4264 GPRESSAVG: 4802200 13.3635 -17.4191 19.4871 -15.6665 10.8904 12.5756 16.5241 10.7157 18.1726 TIMING: 4802200 CPU: 15228.1, 0.00317232/step Wall: 15228.1, 0.00317232/step, 0.174301 hours remaining, 239.015625 MB of memory in use. ENERGY: 4802200 3928.6189 20580.1386 14522.2642 238.4411 -203387.0501 2384.6444 0.0000 0.0000 52273.1071 -109459.8358 300.4143 -161732.9429 -109100.6355 299.0775 -15.2147 13.2995 761508.1090 13.7986 14.1422 PRESSURE: 4802400 -478.494 -215.042 -40.5664 -215.042 -58.4887 -197.163 -40.5661 -197.164 61.8706 GPRESSURE: 4802400 -381.808 -277.58 -61.8448 -86.0721 -3.64542 -187.512 133.194 -273.214 3.56091 PRESSAVG: 4802400 18.0573 -12.8672 14.4982 -12.8672 13.7482 16.433 14.4982 16.433 0.757733 GPRESSAVG: 4802400 18.2212 -12.6043 14.8543 -12.6348 13.7365 15.1363 14.4944 17.9756 0.107536 TIMING: 4802400 CPU: 15228.7, 0.00314088/step Wall: 15228.7, 0.00314088/step, 0.172399 hours remaining, 239.015625 MB of memory in use. ENERGY: 4802400 3974.5836 20376.7086 14446.8576 228.4146 -203456.5238 2476.4247 0.0000 0.0000 52188.1286 -109765.4062 299.9259 -161953.5348 -109390.0783 298.8204 -158.3707 -127.2975 760875.9496 10.8544 10.6884 PRESSURE: 4802600 111.897 26.7418 -82.022 26.7419 -375.753 -79.7456 -82.0217 -79.7461 -133.91 GPRESSURE: 4802600 39.8125 -35.986 -36.2266 60.7918 -279.455 -127.114 18.4259 -191.912 -77.6051 PRESSAVG: 4802600 38.6613 8.62954 -26.3389 8.62961 -10.8189 14.4255 -26.3389 14.4254 0.405524 GPRESSAVG: 4802600 37.599 6.92686 -26.4055 9.15324 -9.49895 16.259 -25.5284 12.9122 0.799206 TIMING: 4802600 CPU: 15229.4, 0.00315025/step Wall: 15229.4, 0.00315025/step, 0.172739 hours remaining, 239.015625 MB of memory in use. ENERGY: 4802600 4011.0117 20546.2222 14480.2738 250.1251 -203545.4401 2566.7203 0.0000 0.0000 51975.1986 -109715.8885 298.7022 -161691.0870 -109345.8367 298.7020 -132.5889 -105.7493 761676.0210 9.4160 9.6331 PRESSURE: 4802800 149.163 -164.62 243.367 -164.62 45.7651 -133.873 243.368 -133.873 291.25 GPRESSURE: 4802800 96.2031 -239.577 128.65 -140.019 235.364 -122.645 125.397 -53.9785 232.23 PRESSAVG: 4802800 -8.21925 -33.1775 -10.6031 -33.1775 -42.5377 -7.94077 -10.6031 -7.94081 -1.18332 GPRESSAVG: 4802800 -8.62306 -32.0618 -11.9857 -34.9826 -42.4835 -9.67019 -9.70399 -5.38961 -0.918289 TIMING: 4802800 CPU: 15230, 0.00318467/step Wall: 15230, 0.00318467/step, 0.174449 hours remaining, 239.015625 MB of memory in use. ENERGY: 4802800 3904.4440 20463.7651 14380.8663 243.4482 -203753.8870 2827.8305 0.0000 0.0000 52076.7004 -109856.8326 299.2855 -161933.5330 -109493.3693 298.0502 162.0591 187.9325 758447.4660 -17.3134 -17.3416 PRESSURE: 4803000 -132.515 69.0849 -364.779 69.0843 122.502 66.8834 -364.779 66.8838 -426.694 GPRESSURE: 4803000 -50.7751 -34.5085 -427.347 11.1306 70.5142 91.9238 -190.912 10.441 -372.909 PRESSAVG: 4803000 51.739 37.2541 -31.7261 37.2542 -14.2451 43.3493 -31.7261 43.3494 -31.0409 GPRESSAVG: 4803000 52.7254 36.4368 -31.3788 37.435 -15.2284 44.6201 -34.892 42.2784 -30.7586 TIMING: 4803000 CPU: 15230.6, 0.00314243/step Wall: 15230.6, 0.00314243/step, 0.171961 hours remaining, 239.015625 MB of memory in use. ENERGY: 4803000 3997.6155 20606.6386 14413.9970 254.1653 -203634.9572 2551.6190 0.0000 0.0000 51872.3838 -109938.5380 298.1113 -161810.9219 -109583.0817 298.4735 -145.5689 -117.7233 759970.8270 2.1510 2.2461 PRESSURE: 4803200 220.458 -134.708 -54.0579 -134.708 286.599 -218.809 -54.0581 -218.809 374.066 GPRESSURE: 4803200 217.017 -122.151 -15.1473 -107.879 359.288 -239.835 -9.14425 -144.016 381.664 PRESSAVG: 4803200 16.8508 30.1351 11.8939 30.1351 -10.0463 -4.30966 11.8939 -4.30961 35.6439 GPRESSAVG: 4803200 15.5306 30.7278 11.6626 32.4368 -9.74158 -4.66376 15.1023 -5.93016 37.1311 TIMING: 4803200 CPU: 15231.3, 0.0031538/step Wall: 15231.3, 0.0031538/step, 0.172408 hours remaining, 239.015625 MB of memory in use. ENERGY: 4803200 3894.4182 20551.5326 14495.6957 252.2706 -203409.8652 2619.4911 0.0000 0.0000 51678.8139 -109917.6432 296.9989 -161596.4571 -109566.7045 298.1294 293.7077 319.3232 761176.5527 14.1495 14.3067 PRESSURE: 4803400 -119.351 -63.8172 -120.158 -63.8174 -19.6762 30.1597 -120.159 30.1607 -29.4123 GPRESSURE: 4803400 -48.0779 -15.0903 -142.12 -23.0345 17.0581 96.236 -190.453 -27.1762 -66.8126 PRESSAVG: 4803400 29.6385 22.4563 10.8796 22.4563 -47.9946 1.73637 10.8796 1.73629 -7.44239 GPRESSAVG: 4803400 31.2698 21.8472 10.6852 19.7982 -47.4905 3.19572 9.35263 1.91756 -9.37102 TIMING: 4803400 CPU: 15231.9, 0.00314298/step Wall: 15231.9, 0.00314299/step, 0.171642 hours remaining, 239.015625 MB of memory in use. ENERGY: 4803400 4023.7087 20551.2913 14498.7862 254.4235 -203720.0938 2606.9036 0.0000 0.0000 52099.7988 -109685.1818 299.4183 -161784.9806 -109334.1214 298.7609 -56.1464 -32.6108 758607.3779 -8.5995 -8.5306 PRESSURE: 4803600 -33.7875 -96.3835 -28.5406 -96.3841 52.8668 -19.6416 -28.5411 -19.6405 482.52 GPRESSURE: 4803600 37.5954 -125.226 -33.558 67.849 65.8451 66.2368 -23.4025 10.9042 468.752 PRESSAVG: 4803600 -53.7131 -1.08626 -59.4397 -1.08622 15.5358 40.8897 -59.4397 40.8896 -5.98247 GPRESSAVG: 4803600 -54.2925 -1.98065 -59.1219 0.578934 15.1779 40.6447 -57.8472 41.1699 -5.39119 TIMING: 4803600 CPU: 15232.5, 0.00313416/step Wall: 15232.5, 0.00313416/step, 0.170986 hours remaining, 239.015625 MB of memory in use. ENERGY: 4803600 3993.2832 20401.8957 14479.1806 253.2842 -203393.7127 2506.8731 0.0000 0.0000 51973.4648 -109785.7311 298.6922 -161759.1959 -109424.4808 299.2089 167.1996 190.7309 759421.4599 -14.7199 -14.8353 PRESSURE: 4803800 -297.449 -13.0637 105.535 -13.0639 -242.1 -258.92 105.535 -258.92 -170.46 GPRESSURE: 4803800 -284.164 -20.9403 115.518 42.0349 -223.676 -239.3 115.489 -142.814 -106.054 PRESSAVG: 4803800 -29.2366 -41.8471 -8.32569 -41.847 35.9391 40.681 -8.3257 40.681 -2.54003 GPRESSAVG: 4803800 -30.5612 -41.4952 -8.30194 -41.047 36.5586 40.7484 -9.18095 42.0497 -2.25118 TIMING: 4803800 CPU: 15233.2, 0.00313793/step Wall: 15233.2, 0.00313793/step, 0.171017 hours remaining, 239.015625 MB of memory in use. ENERGY: 4803800 3927.8200 20333.4520 14373.6598 264.8542 -203175.2819 2404.2913 0.0000 0.0000 52000.9616 -109870.2431 298.8502 -161871.2047 -109496.4324 298.7066 -236.6698 -204.6313 761488.3898 1.3875 1.2487 PRESSURE: 4804000 -56.4023 -50.801 227.657 -50.8 -277.807 -226.938 227.657 -226.938 -284.817 GPRESSURE: 4804000 -69.0092 40.3748 165.699 -98.067 -258.484 -254.646 280.27 -99.0175 -202.966 PRESSAVG: 4804000 29.9729 -35.6957 53.5014 -35.6957 -37.7217 0.736224 53.5014 0.736242 -11.7291 GPRESSAVG: 4804000 29.527 -33.6372 52.7269 -37.609 -38.7486 0.0268693 52.9113 -0.333663 -11.2108 TIMING: 4804000 CPU: 15233.8, 0.00313828/step Wall: 15233.8, 0.00313828/step, 0.170862 hours remaining, 239.015625 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: 4804000 4006.4233 20505.6189 14380.1410 250.4506 -203420.8784 2619.5288 0.0000 0.0000 51863.7391 -109794.9767 298.0616 -161658.7158 -109440.8285 298.2986 -206.3421 -176.8199 760101.8822 -6.4926 -6.8108 PRESSURE: 4804200 -100.47 -236.697 115.941 -236.697 -109.463 141.781 115.941 141.782 79.1111 GPRESSURE: 4804200 -39.0906 -176.62 119.194 -178.273 -98.1225 186.078 48.2163 85.7727 84.9612 PRESSAVG: 4804200 -31.3677 -61.5444 21.9704 -61.5444 -18.2306 -29.2929 21.9705 -29.2929 -1.54049 GPRESSAVG: 4804200 -30.2218 -61.7682 23.1591 -61.5155 -18.9354 -27.655 22.1053 -28.8638 -1.49932 TIMING: 4804200 CPU: 15234.4, 0.00315381/step Wall: 15234.4, 0.0031538/step, 0.171532 hours remaining, 239.015625 MB of memory in use. ENERGY: 4804200 3986.0104 20438.9137 14473.7619 242.2291 -203456.8714 2515.8027 0.0000 0.0000 52029.3111 -109770.8425 299.0132 -161800.1535 -109398.7673 298.9646 -43.6072 -17.4173 761133.8207 -17.0463 -16.8855 LDB: ============= START OF LOAD BALANCING ============== 15246.9 LDB: ============== END OF LOAD BALANCING =============== 15246.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15246.9 LDB: ============= START OF LOAD BALANCING ============== 15247.2 LDB: Largest compute 7036 load 0.032971 is 16.9% of average load 0.195434 LDB: Average compute 0.004367 is 2.2% of average load 0.195434 LDB: TIME 15247.2 LOAD: AVG 0.195434 MAX 0.215413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15247.2 LOAD: AVG 0.195434 MAX 0.215413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 15247.2 LOAD: AVG 0.195434 MAX 0.215413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 15247.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15247.2 PRESSURE: 4804400 588.206 -190.393 -205.63 -190.394 116.471 -141.213 -205.63 -141.214 201.495 GPRESSURE: 4804400 574.379 -254.371 -173.136 -220.49 239.75 -55.0603 -170.599 -156.562 193.291 PRESSAVG: 4804400 78.8125 -34.1477 -20.0617 -34.1476 -42.5963 -46.9777 -20.0618 -46.9776 -7.89278 GPRESSAVG: 4804400 78.9291 -35.0368 -21.7456 -32.7385 -42.0148 -45.921 -17.9484 -47.3956 -8.31372 TIMING: 4804400 CPU: 15235.1, 0.0032209/step Wall: 15235.1, 0.0032209/step, 0.175002 hours remaining, 240.347656 MB of memory in use. ENERGY: 4804400 3960.8510 20389.6329 14518.5033 237.9107 -203657.2734 2844.9753 0.0000 0.0000 51858.1039 -109847.2964 298.0292 -161705.4003 -109494.3315 299.0100 302.0571 335.8067 759808.9344 9.4411 9.5335 PRESSURE: 4804600 -304.456 83.6439 -436.839 83.6436 99.22 10.5929 -436.84 10.5921 -189.19 GPRESSURE: 4804600 -352.34 102.587 -405.718 147.5 168.013 -125.178 -450.422 56.169 -140.928 PRESSAVG: 4804600 44.2809 -76.1387 -79.5268 -76.1386 -74.6358 7.70578 -79.5268 7.7058 1.06119 GPRESSAVG: 4804600 43.4481 -76.4297 -79.1565 -75.8904 -73.8594 4.9595 -80.0709 9.02661 0.600918 TIMING: 4804600 CPU: 15235.7, 0.00312859/step Wall: 15235.7, 0.00312859/step, 0.169813 hours remaining, 240.550781 MB of memory in use. ENERGY: 4804600 3983.7058 20557.1863 14426.5083 243.7802 -203944.4504 3020.6393 0.0000 0.0000 51833.1755 -109879.4549 297.8860 -161712.6305 -109522.6919 297.9361 -131.4754 -108.4185 761033.2712 -9.7646 -9.9368 PRESSURE: 4804800 14.6473 -93.6207 -123.363 -93.6195 -176.46 91.1035 -123.362 91.1036 156.612 GPRESSURE: 4804800 85.1286 35.29 -165.393 -38.5392 -134.851 99.0145 -94.0077 69.0694 112.584 PRESSAVG: 4804800 6.62103 -56.455 0.988887 -56.455 33.9864 19.4793 0.988899 19.4793 17.8135 GPRESSAVG: 4804800 7.07544 -52.407 1.57957 -57.0634 33.2709 19.4811 -2.79159 20.3921 17.6671 TIMING: 4804800 CPU: 15236.3, 0.00311125/step Wall: 15236.3, 0.00311125/step, 0.168699 hours remaining, 240.550781 MB of memory in use. ENERGY: 4804800 4001.0524 20279.9821 14462.9189 240.9003 -203589.2164 2828.2022 0.0000 0.0000 52020.5969 -109755.5634 298.9631 -161776.1604 -109387.0786 298.5744 -1.7336 20.9539 763873.0602 19.4736 19.3378 PRESSURE: 4805000 -377.005 -95.5746 86.4037 -95.5746 -188.988 -241.328 86.4031 -241.328 236.428 GPRESSURE: 4805000 -413.971 -74.7865 69.0509 -144.49 -47.0654 -186.764 -67.1872 -212.478 206.782 PRESSAVG: 4805000 33.7191 -3.67235 4.88843 -3.6724 -33.0262 39.1526 4.88837 39.1526 -7.45754 GPRESSAVG: 4805000 32.899 -7.04718 4.26172 -2.12485 -32.4631 39.9783 5.39771 38.0481 -6.93941 TIMING: 4805000 CPU: 15236.9, 0.00312129/step Wall: 15236.9, 0.00312129/step, 0.16907 hours remaining, 240.550781 MB of memory in use. ENERGY: 4805000 3969.3063 20470.8413 14459.7009 259.2147 -203523.5934 2660.1115 0.0000 0.0000 51878.0888 -109826.3298 298.1441 -161704.4186 -109468.6673 298.0044 -109.8552 -84.7514 762899.5986 -2.2549 -2.1678 PRESSURE: 4805200 -172.608 30.8362 218.797 30.8371 120.145 135.663 218.797 135.661 191.697 GPRESSURE: 4805200 -87.9052 58.3338 223.687 28.0311 122.214 128.998 203.992 45.3578 177.524 PRESSAVG: 4805200 17.8109 -15.2997 13.5743 -15.2997 -44.3424 21.8907 13.5743 21.8908 1.9059 GPRESSAVG: 4805200 18.9013 -14.3 14.3643 -15.2248 -44.1176 22.0607 15.7118 22.551 1.0223 TIMING: 4805200 CPU: 15237.6, 0.00312932/step Wall: 15237.6, 0.00312932/step, 0.169331 hours remaining, 240.550781 MB of memory in use. ENERGY: 4805200 4025.7873 20296.6110 14435.8716 250.1469 -203489.8756 2807.9272 0.0000 0.0000 51840.2983 -109833.2333 297.9269 -161673.5316 -109461.2229 298.5344 46.4113 70.6111 761716.3686 -8.2085 -8.0647 PRESSURE: 4805400 -307.213 11.9455 -16.2608 11.9456 135.077 73.7303 -16.2614 73.7312 42.6839 GPRESSURE: 4805400 -244.079 -137.684 -41.3339 51.1813 180.96 87.5239 82.6765 73.189 25.1244 PRESSAVG: 4805400 38.857 -50.044 -22.3394 -50.044 -39.977 -7.98682 -22.3394 -7.98687 -30.3686 GPRESSAVG: 4805400 38.697 -50.3763 -22.5863 -50.8464 -40.3743 -7.17969 -21.8839 -8.64128 -30.0942 TIMING: 4805400 CPU: 15238.2, 0.00312408/step Wall: 15238.2, 0.00312408/step, 0.168874 hours remaining, 240.550781 MB of memory in use. ENERGY: 4805400 4030.3543 20390.1435 14497.0244 249.6025 -203371.0030 2410.1648 0.0000 0.0000 52116.7257 -109676.9880 299.5155 -161793.7136 -109328.9161 298.6998 -43.1506 -12.6650 761345.5957 -10.4962 -10.5905 PRESSURE: 4805600 -353.759 13.2692 -14.713 13.2694 -367.263 -32.6704 -14.7138 -32.6693 -328.255 GPRESSURE: 4805600 -310.4 -74.1917 -28.0718 -81.865 -308.244 34.042 -0.887957 -105.657 -346.61 PRESSAVG: 4805600 4.23668 -6.19697 -35.982 -6.19696 49.7386 -10.0039 -35.982 -10.0038 -17.9927 GPRESSAVG: 4805600 4.48208 -6.51898 -34.6725 -6.21456 49.1607 -10.7637 -40.3526 -10.138 -17.5166 TIMING: 4805600 CPU: 15238.8, 0.00311762/step Wall: 15238.8, 0.00311762/step, 0.168352 hours remaining, 240.550781 MB of memory in use. ENERGY: 4805600 3951.2296 20518.0552 14446.6907 253.7839 -203321.4836 2326.9120 0.0000 0.0000 51994.7598 -109830.0524 298.8146 -161824.8121 -109463.9550 299.0773 -349.7589 -321.7511 760211.1940 11.9942 12.0421 PRESSURE: 4805800 204.287 140.064 -150.911 140.064 -319.918 -297.986 -150.91 -297.986 343.261 GPRESSURE: 4805800 169.216 236.002 -190.129 107.884 -194.551 -304.828 -201.299 -205.583 336.806 PRESSAVG: 4805800 -20.5355 16.9261 -44.2566 16.926 -26.8878 -69.2704 -44.2565 -69.2703 9.51502 GPRESSAVG: 4805800 -20.3384 17.7426 -45.1177 17.5495 -27.2585 -67.5522 -41.7282 -69.8005 10.3084 TIMING: 4805800 CPU: 15239.4, 0.00312158/step Wall: 15239.4, 0.00312158/step, 0.168392 hours remaining, 240.550781 MB of memory in use. ENERGY: 4805800 3908.3646 20409.3430 14416.1861 238.8221 -203613.2137 2516.7436 0.0000 0.0000 52621.8540 -109501.9004 302.4185 -162123.7543 -109130.1913 299.3794 75.8769 103.8233 761215.7151 -12.6361 -12.4295 PRESSURE: 4806000 305.554 -102.437 66.6212 -102.437 45.2712 -19.5453 66.6208 -19.546 -177.119 GPRESSURE: 4806000 292.647 -44.1051 -29.4291 -183.354 81.1439 91.739 149.127 -91.6426 -129.593 PRESSAVG: 4806000 59.3367 -36.8964 1.99516 -36.8964 -63.8993 13.0799 1.99515 13.0799 -7.48995 GPRESSAVG: 4806000 59.9525 -36.5552 1.39655 -36.7637 -63.4247 12.4968 1.93963 16.0696 -8.5053 TIMING: 4806000 CPU: 15240.1, 0.00313834/step Wall: 15240.1, 0.00313834/step, 0.169122 hours remaining, 240.550781 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: 4806000 3900.8641 20451.8556 14542.6476 255.7149 -203525.1045 2795.7258 0.0000 0.0000 51816.5867 -109761.7096 297.7906 -161578.2964 -109394.9887 299.1927 57.9022 81.3990 761454.4516 -4.0175 -3.9925 PRESSURE: 4806200 308.01 -259.952 -86.2452 -259.952 -31.4872 83.3688 -86.2448 83.3679 253.101 GPRESSURE: 4806200 259.59 -314.372 -132.926 -288.075 95.332 92.8397 -19.8486 -70.9924 256.049 PRESSAVG: 4806200 40.5095 -68.9314 48.9519 -68.9314 21.086 -28.1805 48.9519 -28.1805 -13.1023 GPRESSAVG: 4806200 39.7317 -69.5123 48.103 -70.3955 20.8082 -28.8012 52.3301 -32.0727 -12.5204 TIMING: 4806200 CPU: 15240.7, 0.00314673/step Wall: 15240.7, 0.00314673/step, 0.169399 hours remaining, 240.550781 MB of memory in use. ENERGY: 4806200 3941.2907 20445.0207 14498.7084 245.1631 -203672.3135 2615.3215 0.0000 0.0000 52204.9907 -109721.8183 300.0228 -161926.8090 -109352.2767 299.4295 176.5412 203.6570 760191.9952 16.1644 16.0065 PRESSURE: 4806400 52.7624 121.779 -85.3151 121.779 -239.759 -22.3818 -85.3161 -22.3832 -265.327 GPRESSURE: 4806400 127.18 4.94707 -136.199 141.458 -300.339 -39.6605 -43.7929 34.2874 -186.263 PRESSAVG: 4806400 59.6936 -26.638 5.74197 -26.638 2.17118 -20.6701 5.74196 -20.6702 -6.83755 GPRESSAVG: 4806400 59.5066 -28.9988 5.24743 -25.4401 2.82113 -21.1415 3.8975 -17.5895 -7.43108 TIMING: 4806400 CPU: 15241.3, 0.00315271/step Wall: 15241.3, 0.00315271/step, 0.169546 hours remaining, 240.550781 MB of memory in use. ENERGY: 4806400 3985.8739 20511.0578 14495.6013 242.2968 -203285.5771 2508.4820 0.0000 0.0000 51844.8279 -109697.4375 297.9529 -161542.2654 -109332.9654 298.8960 -150.7746 -119.8074 761684.8063 18.3424 18.2989 PRESSURE: 4806600 -395.828 70.5902 47.8063 70.5906 73.7897 162.645 47.8065 162.644 350.859 GPRESSURE: 4806600 -371.627 6.70635 -33.9493 -39.3852 171.996 93.4457 -28.1651 109.917 312.688 PRESSAVG: 4806600 24.8309 -13.7376 -53.3944 -13.7376 -10.0442 -11.764 -53.3944 -11.7641 -9.7587 GPRESSAVG: 4806600 24.8065 -11.8448 -51.7844 -12.8871 -9.55606 -9.5625 -54.5539 -13.9565 -9.8281 TIMING: 4806600 CPU: 15241.9, 0.00313289/step Wall: 15241.9, 0.00313289/step, 0.168306 hours remaining, 240.550781 MB of memory in use. ENERGY: 4806600 3900.0192 20557.8719 14482.0413 237.7710 -203941.6750 2723.4379 0.0000 0.0000 52211.6550 -109828.8788 300.0611 -162040.5338 -109455.6617 298.8361 9.6069 37.6856 760272.4002 1.6760 1.8074 PRESSURE: 4806800 199.371 -94.3574 174.447 -94.3584 327.133 -195.412 174.446 -195.413 -218.221 GPRESSURE: 4806800 194.759 -16.1224 187.414 -78.3864 395.754 -250.737 108.264 -42.1079 -206.686 PRESSAVG: 4806800 31.299 9.60774 -69.2152 9.60771 1.83711 -18.6887 -69.2152 -18.6886 0.975442 GPRESSAVG: 4806800 31.5007 10.4884 -69.5584 10.2411 1.84973 -18.5311 -71.8418 -17.9554 1.0332 TIMING: 4806800 CPU: 15242.6, 0.00313063/step Wall: 15242.6, 0.00313063/step, 0.168011 hours remaining, 240.550781 MB of memory in use. ENERGY: 4806800 3983.2770 20536.0761 14414.3487 247.8941 -204050.2009 2618.2483 0.0000 0.0000 52351.4063 -109898.9503 300.8643 -162250.3566 -109534.2082 298.8541 102.7611 127.9427 761297.2902 11.3705 11.4612 PRESSURE: 4807000 -141.56 -16.0823 -22.6554 -16.0807 87.9356 -98.2521 -22.6557 -98.252 -21.4581 GPRESSURE: 4807000 37.6056 4.87899 -105.86 -16.6297 37.5379 -53.0752 108.906 -78.0625 -73.1603 PRESSAVG: 4807000 12.5725 -26.3955 -51.143 -26.3954 -4.855 -17.6649 -51.143 -17.665 -15.2461 GPRESSAVG: 4807000 13.8341 -26.2981 -51.3802 -27.4338 -5.89483 -18.3717 -47.3567 -15.6704 -15.9018 TIMING: 4807000 CPU: 15243.2, 0.00313754/step Wall: 15243.2, 0.00313754/step, 0.168207 hours remaining, 240.550781 MB of memory in use. ENERGY: 4807000 3957.0821 20607.2613 14446.3924 229.7736 -203726.3673 2701.8319 0.0000 0.0000 51926.2896 -109857.7365 298.4211 -161784.0260 -109509.5460 298.4915 -25.0274 0.6611 761509.4012 -2.5095 -2.6542 PRESSURE: 4807200 -108.984 204.746 168.872 204.747 19.8205 114.319 168.872 114.318 -181.892 GPRESSURE: 4807200 -107.531 174.666 184.477 246.707 74.4509 194.883 75.7112 126.901 -141.073 PRESSAVG: 4807200 41.9826 19.1052 -5.43775 19.1052 -28.3915 50.1133 -5.43773 50.1133 -3.20309 GPRESSAVG: 4807200 40.4078 16.8156 -5.93781 20.3064 -27.6504 49.7178 -5.74338 49.3807 -2.42723 TIMING: 4807200 CPU: 15243.8, 0.00316544/step Wall: 15243.8, 0.00316544/step, 0.169527 hours remaining, 240.550781 MB of memory in use. ENERGY: 4807200 4049.7966 20583.2266 14427.5191 236.5654 -203976.0216 2931.9743 0.0000 0.0000 51909.8305 -109837.1092 298.3265 -161746.9396 -109474.6254 298.3546 -90.3517 -58.0510 761976.9083 3.4627 3.4434 PRESSURE: 4807400 -299.763 -83.2104 -81.1296 -83.2102 16.9796 120.844 -81.1286 120.844 -259.216 GPRESSURE: 4807400 -187.59 -171.047 -55.5185 -110.25 41.0346 148.172 -115.414 49.5516 -304.564 PRESSAVG: 4807400 40.1824 7.61495 -23.1968 7.6149 -40.6759 68.5096 -23.1967 68.5095 20.6639 GPRESSAVG: 4807400 40.9086 8.64876 -22.7311 6.0726 -40.0024 68.4575 -24.5456 67.8564 19.2388 TIMING: 4807400 CPU: 15244.5, 0.00316346/step Wall: 15244.5, 0.00316346/step, 0.169245 hours remaining, 240.550781 MB of memory in use. ENERGY: 4807400 4018.4118 20460.8321 14450.9139 249.9539 -203912.0347 2653.5068 0.0000 0.0000 52052.8820 -110025.5343 299.1486 -162078.4162 -109665.0549 298.8377 -180.6661 -150.3729 760739.0677 6.7234 6.7150 PRESSURE: 4807600 -197.566 127.406 -122.542 127.406 -368.756 -201.99 -122.542 -201.989 -294.78 GPRESSURE: 4807600 -170.643 71.9569 -120.531 68.2615 -279.711 -7.0227 -138.898 -268.309 -320.548 PRESSAVG: 4807600 -12.571 20.2901 -23.9867 20.2901 37.9545 21.2628 -23.9867 21.2627 -21.8035 GPRESSAVG: 4807600 -10.1972 20.5828 -22.3548 19.2448 36.3402 20.2911 -24.7315 20.1327 -22.327 TIMING: 4807600 CPU: 15245.1, 0.00315073/step Wall: 15245.1, 0.00315073/step, 0.168389 hours remaining, 240.550781 MB of memory in use. ENERGY: 4807600 4085.2435 20485.8583 14368.2599 228.6373 -203640.5607 2630.1083 0.0000 0.0000 51688.5748 -110153.8786 297.0549 -161842.4534 -109788.6339 298.4507 -287.0341 -256.9673 761276.1806 1.1933 1.2720 PRESSURE: 4807800 196.77 -183.674 285.878 -183.674 -429.387 -119.433 285.879 -119.433 -54.0048 GPRESSURE: 4807800 123.935 -150.39 295.845 -163.871 -323.965 -144.011 165.032 -99.5138 4.04602 PRESSAVG: 4807800 17.8651 5.24601 -2.36812 5.24607 -2.90694 24.8631 -2.36813 24.8631 8.11794 GPRESSAVG: 4807800 15.1735 4.86034 -3.03374 6.927 -1.26663 25.2975 -3.29958 25.7118 9.30588 TIMING: 4807800 CPU: 15245.7, 0.00313221/step Wall: 15245.7, 0.00313221/step, 0.167225 hours remaining, 240.550781 MB of memory in use. ENERGY: 4807800 4030.1853 20524.6166 14381.6969 274.2194 -204031.5365 2790.4507 0.0000 0.0000 51781.4580 -110248.9097 297.5888 -162030.3677 -109883.2452 297.9697 -95.5406 -65.3280 759387.6101 7.6920 7.7376 PRESSURE: 4808000 3.89118 56.6398 109.485 56.6392 -124.538 177.539 109.485 177.539 424.378 GPRESSURE: 4808000 36.336 40.2654 69.5345 139.085 -16.6226 137.495 205.335 110.048 378.823 PRESSAVG: 4808000 3.11994 2.56455 -24.2773 2.56448 6.5641 18.7518 -24.2772 18.7518 -7.22404 GPRESSAVG: 4808000 3.41987 2.28147 -25.8123 1.28134 6.61989 20.6521 -21.3964 19.6322 -7.42505 TIMING: 4808000 CPU: 15246.3, 0.00313593/step Wall: 15246.3, 0.00313593/step, 0.16725 hours remaining, 240.550781 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: 4808000 3928.7182 20444.0879 14438.8638 249.3985 -203656.4465 2433.2192 0.0000 0.0000 51936.8238 -110225.3351 298.4816 -162162.1589 -109862.7586 297.7614 101.2435 132.8453 757673.4327 0.8200 0.8716 PRESSURE: 4808200 -260.097 272.119 229.813 272.119 -320.671 142.674 229.812 142.675 262.102 GPRESSURE: 4808200 -160.492 276.68 193.29 261.414 -297.848 108.299 227.513 288.936 228.167 PRESSAVG: 4808200 2.14486 27.951 20.3062 27.951 -4.90491 13.2046 20.3062 13.2046 -2.53108 GPRESSAVG: 4808200 2.95806 29.4401 22.2047 28.1123 -5.16066 10.9033 21.0407 15.6893 -2.64574 TIMING: 4808200 CPU: 15247, 0.00313833/step Wall: 15247, 0.00313833/step, 0.167203 hours remaining, 240.550781 MB of memory in use. ENERGY: 4808200 3985.4424 20394.6699 14397.6246 242.1624 -203638.0928 2403.3099 0.0000 0.0000 51921.4637 -110293.4200 298.3934 -162214.8837 -109930.0292 298.0027 -106.2221 -76.7246 759260.7153 -1.7637 -1.6161 LDB: ============= START OF LOAD BALANCING ============== 15259.4 LDB: ============== END OF LOAD BALANCING =============== 15259.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15259.4 LDB: ============= START OF LOAD BALANCING ============== 15259.7 LDB: Largest compute 7069 load 0.033703 is 17.2% of average load 0.195545 LDB: Average compute 0.004374 is 2.2% of average load 0.195545 LDB: TIME 15259.7 LOAD: AVG 0.195545 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.836 MB LDB: TIME 15259.7 LOAD: AVG 0.195545 MAX 0.216707 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 15259.7 LOAD: AVG 0.195545 MAX 0.216707 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 15259.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15259.7 PRESSURE: 4808400 180.944 -9.9672 -108.973 -9.96658 -130.489 46.6994 -108.973 46.7006 391.689 GPRESSURE: 4808400 253.838 -13.6398 -97.0462 -136.623 -106.684 26.1045 38.9002 55.1286 383.175 PRESSAVG: 4808400 39.7136 36.3591 -11.7717 36.3591 -15.5901 6.34554 -11.7716 6.3455 8.64178 GPRESSAVG: 4808400 40.2367 36.7254 -13.6289 37.1993 -16.0666 6.92018 -11.6135 4.07458 8.89048 TIMING: 4808400 CPU: 15247.6, 0.00320806/step Wall: 15247.6, 0.00320806/step, 0.17074 hours remaining, 241.886719 MB of memory in use. ENERGY: 4808400 3963.9210 20399.7401 14445.9396 265.4614 -203802.1222 2650.5961 0.0000 0.0000 51771.6423 -110304.8218 297.5323 -162076.4641 -109942.5969 297.7761 147.3811 176.7767 759608.6380 10.9217 11.0202 PRESSURE: 4808600 -145.107 193.417 30.6957 193.418 384.348 131.156 30.6953 131.157 267.815 GPRESSURE: 4808600 7.93619 153.868 0.0426416 86.5623 353.914 79.6109 45.5894 117.024 258.164 PRESSAVG: 4808600 -6.57706 20.6224 -0.779734 20.6224 -33.8553 15.3794 -0.779766 15.3793 10.5493 GPRESSAVG: 4808600 -7.2194 21.787 -0.129306 18.2048 -34.1542 16.2966 -3.03747 13.4235 11.1751 TIMING: 4808600 CPU: 15248.2, 0.00312372/step Wall: 15248.2, 0.00312372/step, 0.166078 hours remaining, 242.089844 MB of memory in use. ENERGY: 4808600 4012.6162 20358.2549 14466.0366 240.6349 -204053.9887 2813.3052 0.0000 0.0000 51964.4211 -110198.7198 298.6402 -162163.1409 -109842.1591 297.7013 169.0188 206.6715 759955.5628 -9.9610 -10.0662 PRESSURE: 4808800 -157.635 -50.0416 88.7909 -50.0423 -131.981 177.585 88.7907 177.586 118.654 GPRESSURE: 4808800 -155.369 -8.10415 93.7681 -150.959 -134.663 104.807 184.099 246.936 188.525 PRESSAVG: 4808800 3.22598 -24.786 26.1221 -24.786 26.9988 17.3468 26.1222 17.3468 -3.4108 GPRESSAVG: 4808800 3.16496 -26.9838 28.5755 -20.9308 27.1105 16.9999 25.3678 17.4778 -3.4994 TIMING: 4808800 CPU: 15248.9, 0.00313348/step Wall: 15248.9, 0.00313348/step, 0.166423 hours remaining, 242.089844 MB of memory in use. ENERGY: 4808800 3918.7074 20540.1938 14462.6612 260.6512 -203882.9898 2615.1749 0.0000 0.0000 51866.7264 -110218.8748 298.0788 -162085.6012 -109865.0782 298.2828 -56.9876 -33.8356 759573.3668 8.9380 8.9253 PRESSURE: 4809000 141.846 1.00271 -125.63 1.0033 -75.2265 265.433 -125.629 265.433 212.199 GPRESSURE: 4809000 218.996 -43.1534 -64.9183 -45.1284 -100.129 236.65 -83.0818 248.762 242.808 PRESSAVG: 4809000 63.0127 -15.572 11.8935 -15.572 -8.45876 41.6459 11.8936 41.6458 -6.0481 GPRESSAVG: 4809000 62.4398 -17.3252 9.26877 -15.5094 -7.94751 42.3688 14.4848 43.0855 -6.22877 TIMING: 4809000 CPU: 15249.5, 0.00316052/step Wall: 15249.5, 0.00316052/step, 0.167683 hours remaining, 242.089844 MB of memory in use. ENERGY: 4809000 4005.4556 20511.0790 14456.4481 231.4841 -204041.4592 2723.1132 0.0000 0.0000 51865.7253 -110248.1539 298.0730 -162113.8792 -109888.4454 298.0599 92.9392 120.5585 758259.7711 16.1686 16.0878 PRESSURE: 4809200 -153.752 -143.017 97.1386 -143.018 -87.1692 86.9811 97.1382 86.9818 312.463 GPRESSURE: 4809200 -49.7407 -45.2507 130.674 -116.838 -43.0897 134.505 61.9224 76.7622 257.145 PRESSAVG: 4809200 27.3819 -11.418 79.1793 -11.4181 -46.7595 20.2788 79.1794 20.2788 -0.751269 GPRESSAVG: 4809200 27.8623 -7.73945 81.2018 -12.8274 -47.2521 17.8795 75.9041 21.2237 -0.605426 TIMING: 4809200 CPU: 15250.1, 0.00312656/step Wall: 15250.1, 0.00312656/step, 0.165707 hours remaining, 242.089844 MB of memory in use. ENERGY: 4809200 4042.3008 20514.8142 14360.8054 240.1808 -204010.7992 2796.7989 0.0000 0.0000 51702.3381 -110353.5610 297.1340 -162055.8990 -109995.4972 297.8752 23.8473 54.7716 758895.5427 -6.7096 -6.6651 PRESSURE: 4809400 12.1428 241.582 97.9295 241.582 -16.625 118.1 97.9302 118.101 143.15 GPRESSURE: 4809400 36.8708 300.625 89.2235 300.079 15.3038 157.863 165.767 36.6377 177.719 PRESSAVG: 4809400 -5.5662 -18.9631 -5.50276 -18.9631 2.65373 48.3371 -5.5027 48.3371 -16.2534 GPRESSAVG: 4809400 -6.62472 -19.6674 -6.07347 -20.6501 2.85896 49.9885 -3.18404 47.3226 -16.018 TIMING: 4809400 CPU: 15250.7, 0.00312593/step Wall: 15250.7, 0.00312593/step, 0.1655 hours remaining, 242.089844 MB of memory in use. ENERGY: 4809400 3954.5355 20503.3988 14409.0776 249.3788 -203952.6964 2743.8095 0.0000 0.0000 51878.9873 -110213.5089 298.1493 -162092.4962 -109844.6245 298.0937 46.2225 76.6311 760463.3786 -6.3886 -6.5946 PRESSURE: 4809600 52.3095 84.2985 -107.846 84.299 -126.507 24.3701 -107.846 24.3699 20.747 GPRESSURE: 4809600 133.066 147.362 -24.7341 145.071 -166 20.5076 -44.5814 118.337 47.1575 PRESSAVG: 4809600 -6.56789 1.34825 -9.30977 1.34825 -7.07805 -13.2813 -9.30975 -13.2814 13.9952 GPRESSAVG: 4809600 -5.95564 1.0794 -9.57122 2.65665 -7.86442 -14.3802 -10.1095 -10.7956 14.0657 TIMING: 4809600 CPU: 15251.4, 0.00311899/step Wall: 15251.4, 0.00311899/step, 0.16496 hours remaining, 242.089844 MB of memory in use. ENERGY: 4809600 3882.4160 20628.9713 14447.9507 272.0553 -203786.4904 2602.5540 0.0000 0.0000 51970.7261 -109981.8170 298.6765 -161952.5431 -109620.3163 298.7784 -17.8168 4.7410 761183.9960 0.1164 0.0819 PRESSURE: 4809800 235.037 92.1858 77.4167 92.186 -321.05 -43.534 77.4169 -43.5337 41.2551 GPRESSURE: 4809800 194.203 -12.8618 26.4734 1.49446 -203.486 -29.8343 47.2612 -170.813 65.7347 PRESSAVG: 4809800 43.6565 14.5912 -38.2413 14.5912 -11.7149 -11.1146 -38.2413 -11.1145 -12.6582 GPRESSAVG: 4809800 43.8811 15.5158 -39.7497 14.0632 -12.6633 -8.01152 -36.9288 -15.6009 -12.2334 TIMING: 4809800 CPU: 15252, 0.00312398/step Wall: 15252, 0.00312398/step, 0.16505 hours remaining, 242.089844 MB of memory in use. ENERGY: 4809800 4043.7176 20520.3405 14426.7929 257.8703 -204018.1829 2697.1245 0.0000 0.0000 51915.2689 -110157.0682 298.3578 -162072.3372 -109804.2397 298.4217 -14.9193 18.8174 758027.0459 6.4278 6.3281 PRESSURE: 4810000 -310.629 180.5 -18.9278 180.501 183.49 -20.2272 -18.928 -20.2272 -30.882 GPRESSURE: 4810000 -124.041 286.674 -2.88691 255.79 70.585 4.28869 148.867 46.2827 -33.9817 PRESSAVG: 4810000 28.972 17.374 -3.4571 17.374 -5.05642 2.64418 -3.4571 2.64418 -9.6183 GPRESSAVG: 4810000 29.4797 17.6738 -1.63596 18.2168 -5.61331 0.292133 -1.50623 2.98552 -9.50517 TIMING: 4810000 CPU: 15252.6, 0.00313782/step Wall: 15252.6, 0.00313782/step, 0.165607 hours remaining, 242.089844 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: 4810000 3916.2600 20437.6035 14498.4656 249.8546 -204314.4444 2863.4577 0.0000 0.0000 52038.2085 -110310.5945 299.0643 -162348.8029 -109940.8847 298.3291 -52.6738 -29.1460 759809.7452 4.7658 4.7871 PRESSURE: 4810200 165.186 42.5571 82.6034 42.5576 173.861 108.789 82.6027 108.789 128.52 GPRESSURE: 4810200 349.009 184.266 108.654 -13.455 82.082 62.7533 6.8042 78.8996 99.3774 PRESSAVG: 4810200 30.7136 43.4788 22.6252 43.4788 -34.6805 -12.1613 22.6251 -12.1613 13.8362 GPRESSAVG: 4810200 30.966 42.3899 21.9013 42.5544 -34.1829 -12.1456 20.7772 -10.0419 13.4183 TIMING: 4810200 CPU: 15253.2, 0.00313288/step Wall: 15253.2, 0.00313288/step, 0.165172 hours remaining, 242.089844 MB of memory in use. ENERGY: 4810200 3966.3107 20633.6129 14469.9342 227.9309 -204087.5339 2707.5224 0.0000 0.0000 52029.4402 -110052.7826 299.0139 -162082.2228 -109700.0648 298.4794 155.8557 176.8227 760626.5546 3.2898 3.4005 PRESSURE: 4810400 -87.1977 -35.1661 120.386 -35.1664 107.378 -155.147 120.386 -155.146 495.607 GPRESSURE: 4810400 -238.44 -106.493 102.877 -8.08267 260.15 -196.436 105.222 -13.4422 562.943 PRESSAVG: 4810400 -17.8091 8.59667 -32.9309 8.59661 37.6123 32.4459 -32.931 32.4458 -13.1146 GPRESSAVG: 4810400 -18.7022 6.20431 -32.7986 8.81543 38.2258 32.9846 -33.8929 33.4796 -12.5042 TIMING: 4810400 CPU: 15253.9, 0.00313181/step Wall: 15253.9, 0.00313181/step, 0.164942 hours remaining, 242.089844 MB of memory in use. ENERGY: 4810400 3970.9508 20681.2833 14394.9482 248.9611 -204260.6044 3126.7092 0.0000 0.0000 51848.4859 -109989.2659 297.9740 -161837.7518 -109634.8962 298.6855 171.9293 194.8840 761907.2441 2.2295 2.3398 PRESSURE: 4810600 -2.98957 -186.112 -48.5353 -186.112 -150.962 -16.484 -48.5349 -16.4836 255.895 GPRESSURE: 4810600 -9.46265 -127.654 -65.8969 -125.461 -46.377 -48.8757 -71.0046 107.01 207.49 PRESSAVG: 4810600 14.3405 -26.0301 28.2034 -26.0301 -24.1241 42.4186 28.2034 42.4186 -8.68248 GPRESSAVG: 4810600 13.5552 -23.5626 28.6033 -26.2126 -22.4345 41.9271 27.8524 40.5106 -9.49541 TIMING: 4810600 CPU: 15254.5, 0.00314526/step Wall: 15254.5, 0.00314526/step, 0.165476 hours remaining, 242.089844 MB of memory in use. ENERGY: 4810600 3955.3660 20583.9860 14363.8230 222.1958 -203816.5988 2690.8343 0.0000 0.0000 51973.4006 -110026.9930 298.6918 -162000.3936 -109662.9653 298.2602 33.9812 50.5502 761807.0984 -6.1554 -6.1249 PRESSURE: 4810800 -122.336 72.4193 -171.969 72.4198 -103.055 74.5374 -171.968 74.5354 38.6155 GPRESSURE: 4810800 -36.4506 14.5179 -223.093 -14.339 -36.5956 48.4982 -37.2507 53.2358 -29.2996 PRESSAVG: 4810800 -38.2044 -42.5324 -50.4123 -42.5324 51.1008 62.6891 -50.4123 62.6891 -32.491 GPRESSAVG: 4810800 -36.5421 -43.9104 -51.3218 -42.915 49.1094 64.3237 -50.7633 61.7348 -32.1993 TIMING: 4810800 CPU: 15255.1, 0.00312881/step Wall: 15255.1, 0.00312881/step, 0.164436 hours remaining, 242.089844 MB of memory in use. ENERGY: 4810800 4017.5191 20471.9616 14475.3153 247.8930 -204029.8945 2905.7291 0.0000 0.0000 52083.6514 -109827.8251 299.3255 -161911.4765 -109459.3278 298.5785 -62.2586 -34.1152 762030.4006 -6.5315 -6.5440 PRESSURE: 4811000 -138.919 186 -113.891 186 224.422 -179.223 -113.89 -179.222 -27.1004 GPRESSURE: 4811000 -111.585 185.464 -136.212 187.088 181.46 -124.403 -231.35 -122.743 79.0098 PRESSAVG: 4811000 22.215 -25.1469 6.19146 -25.147 1.07394 28.8624 6.19152 28.8624 -3.06005 GPRESSAVG: 4811000 22.6388 -24.6608 5.24496 -27.0261 1.29058 27.8548 7.47441 30.8604 -3.41462 TIMING: 4811000 CPU: 15255.8, 0.00311229/step Wall: 15255.8, 0.00311229/step, 0.163395 hours remaining, 242.089844 MB of memory in use. ENERGY: 4811000 3992.5148 20622.0433 14479.0269 234.4790 -203869.0156 2789.5985 0.0000 0.0000 51883.6803 -109867.6727 298.1762 -161751.3530 -109512.2913 299.1341 19.4676 49.6281 760951.5616 6.7430 6.8382 PRESSURE: 4811200 -100.686 -109.356 -231.903 -109.356 -92.2861 88.3589 -231.904 88.36 75.3208 GPRESSURE: 4811200 -29.0726 -177.727 -240.762 54.7039 -80.072 71.2968 -161.037 -19.4556 50.4818 PRESSAVG: 4811200 -63.8176 -55.7909 -59.2227 -55.7909 51.8063 -21.8978 -59.2228 -21.8977 -14.7217 GPRESSAVG: 4811200 -63.2544 -57.6836 -58.6785 -51.429 50.2769 -21.7123 -59.9574 -23.7601 -14.2961 TIMING: 4811200 CPU: 15256.4, 0.00311237/step Wall: 15256.4, 0.00311237/step, 0.163226 hours remaining, 242.089844 MB of memory in use. ENERGY: 4811200 4041.6965 20433.4601 14469.0804 228.2574 -203795.0914 2697.1846 0.0000 0.0000 52074.7496 -109850.6627 299.2743 -161925.4123 -109486.5534 298.8173 -39.2171 -19.5543 760885.6180 -8.9110 -9.0912 PRESSURE: 4811400 65.7829 -131.295 -285.613 -131.295 207.174 47.0722 -285.614 47.0712 229.295 GPRESSURE: 4811400 39.7864 -37.421 -217.57 -139.222 308.296 -46.7048 -384.862 64.209 214.804 PRESSAVG: 4811400 -13.5234 -64.359 -2.20377 -64.359 37.4833 22.4477 -2.20372 22.4477 3.90186 GPRESSAVG: 4811400 -13.9325 -61.5762 -1.53889 -66.8418 38.3433 19.9761 -0.748491 25.0987 3.69903 TIMING: 4811400 CPU: 15257, 0.0031027/step Wall: 15257, 0.0031027/step, 0.162547 hours remaining, 242.089844 MB of memory in use. ENERGY: 4811400 4047.8650 20705.9584 14511.4273 244.6646 -203988.5030 2820.5822 0.0000 0.0000 51953.0301 -109704.9755 298.5748 -161658.0056 -109345.5906 298.9238 167.4172 187.6286 759703.3926 9.2872 9.3699 PRESSURE: 4811600 256.401 213.985 -76.9132 213.985 -560.028 -137.163 -76.9134 -137.162 412.916 GPRESSURE: 4811600 194.698 22.7909 -22.7819 292.394 -356.206 -91.7743 -51.446 -101.49 360.356 PRESSAVG: 4811600 -10.4225 -65.9314 -32.9426 -65.9313 2.99853 -15.1078 -32.9426 -15.1078 -7.47953 GPRESSAVG: 4811600 -10.913 -68.244 -33.3188 -66.2775 4.19704 -14.9195 -35.4045 -15.2912 -7.75292 TIMING: 4811600 CPU: 15257.6, 0.00311542/step Wall: 15257.6, 0.00311542/step, 0.16304 hours remaining, 242.089844 MB of memory in use. ENERGY: 4811600 4020.1988 20590.3032 14437.6305 244.5205 -203863.6361 2747.2272 0.0000 0.0000 51982.9983 -109840.7575 298.7470 -161823.7559 -109475.0693 298.9774 36.4295 66.2827 762335.6503 -4.9678 -4.8230 PRESSURE: 4811800 80.5193 -103.031 -79.6289 -103.031 36.8181 19.6005 -79.6281 19.6008 386.626 GPRESSURE: 4811800 203.524 46.5122 -49.4283 -81.1247 13.2337 73.3259 -13.0268 58.7235 372.161 PRESSAVG: 4811800 -25.8383 -11.8533 -68.3052 -11.8533 86.3683 48.9476 -68.3052 48.9476 2.82689 GPRESSAVG: 4811800 -26.0905 -10.0529 -68.5456 -11.9635 86.2488 50.4996 -67.2558 46.8985 3.37725 TIMING: 4811800 CPU: 15258.2, 0.00312999/step Wall: 15258.2, 0.00312999/step, 0.163629 hours remaining, 242.089844 MB of memory in use. ENERGY: 4811800 4001.9411 20716.7467 14445.0463 247.7957 -203603.2295 2736.1852 0.0000 0.0000 51844.3040 -109611.2106 297.9499 -161455.5146 -109250.9418 299.5140 167.9879 196.3062 760609.8772 21.1190 21.1785 PRESSURE: 4812000 -42.7246 -120.647 -143.71 -120.648 214.469 -38.5379 -143.71 -38.5378 -95.5213 GPRESSURE: 4812000 48.4773 -48.6346 -81.5739 -129.138 266.334 44.5071 -140.577 -203.615 -141.035 PRESSAVG: 4812000 23.469 -34.3935 -59.3351 -34.3935 -3.70203 -16.583 -59.3352 -16.5829 2.98923 GPRESSAVG: 4812000 22.6183 -34.1381 -56.9423 -34.0839 -3.14918 -17.2332 -57.6029 -15.4081 2.667 TIMING: 4812000 CPU: 15258.9, 0.00314203/step Wall: 15258.9, 0.00314203/step, 0.164084 hours remaining, 242.089844 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: 4812000 3983.5925 20473.8931 14433.8390 243.9741 -203477.5469 2692.2561 0.0000 0.0000 52019.9381 -109630.0540 298.9593 -161649.9921 -109275.5621 299.3440 25.4077 57.9254 761585.6036 7.5854 7.3787 PRESSURE: 4812200 174.306 52.5363 -65.0288 52.5349 178.863 -251.557 -65.0284 -251.556 404.81 GPRESSURE: 4812200 197.183 57.4491 -99.2742 128.716 259.812 -212.428 -61.6823 -201.527 384.328 PRESSAVG: 4812200 -28.6272 -13.7969 41.9915 -13.7969 26.2982 -5.01923 41.9915 -5.01933 9.61755 GPRESSAVG: 4812200 -27.9601 -13.2226 40.6102 -13.5809 26.3888 -5.23963 38.6922 -4.35116 9.08339 TIMING: 4812200 CPU: 15259.5, 0.00314723/step Wall: 15259.5, 0.00314723/step, 0.16418 hours remaining, 242.089844 MB of memory in use. ENERGY: 4812200 3941.8151 20413.3285 14499.0156 235.7650 -203843.3367 2890.8993 0.0000 0.0000 52256.1849 -109606.3283 300.3170 -161862.5132 -109233.6851 299.1095 252.6597 280.4408 760658.2068 2.4295 2.5040 LDB: ============= START OF LOAD BALANCING ============== 15272 LDB: ============== END OF LOAD BALANCING =============== 15272 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15272 LDB: ============= START OF LOAD BALANCING ============== 15272.3 LDB: Largest compute 7069 load 0.033871 is 17.3% of average load 0.195649 LDB: Average compute 0.004365 is 2.2% of average load 0.195649 LDB: TIME 15272.3 LOAD: AVG 0.195649 MAX 0.217754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.121 MB LDB: TIME 15272.3 LOAD: AVG 0.195649 MAX 0.217754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: TIME 15272.3 LOAD: AVG 0.195649 MAX 0.217754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.121 MB LDB: ============== END OF LOAD BALANCING =============== 15272.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15272.3 PRESSURE: 4812400 -97.4474 158.04 198.701 158.041 -196.293 -18.1831 198.7 -18.1825 219.62 GPRESSURE: 4812400 -88.4127 142.314 156.102 7.08627 -224.256 -34.936 137.557 -75.9382 307.401 PRESSAVG: 4812400 -12.0405 -2.58695 5.47883 -2.587 -28.8234 8.31547 5.47881 8.31553 1.4215 GPRESSAVG: 4812400 -11.9571 -4.03989 4.02444 -2.19488 -29.856 8.52689 6.07834 8.75758 2.29185 TIMING: 4812400 CPU: 15260.1, 0.00320293/step Wall: 15260.1, 0.00320293/step, 0.166908 hours remaining, 241.949219 MB of memory in use. ENERGY: 4812400 3980.5594 20407.4651 14472.9528 233.2228 -203704.2282 2810.1407 0.0000 0.0000 52115.8412 -109684.0460 299.5105 -161799.8872 -109322.6250 299.3919 -24.7067 -1.7557 759964.6131 -13.1475 -13.1738 PRESSURE: 4812600 42.0759 344.152 176.983 344.151 132.377 61.392 176.984 61.3929 383.239 GPRESSURE: 4812600 144.761 258.654 145.155 362.549 58.3778 57.6454 138.389 30.8865 410.481 PRESSAVG: 4812600 36.2508 -2.74152 -3.66827 -2.74148 -13.4509 -30.636 -3.66825 -30.636 -2.62914 GPRESSAVG: 4812600 38.2345 -1.67966 -3.22331 -3.03836 -14.9029 -29.8552 -2.07961 -33.2051 -2.55142 TIMING: 4812600 CPU: 15260.8, 0.00312621/step Wall: 15260.8, 0.00312621/step, 0.162736 hours remaining, 242.148438 MB of memory in use. ENERGY: 4812600 3927.2819 20612.2454 14425.9865 236.1729 -203641.7513 2714.4639 0.0000 0.0000 51774.0907 -109951.5099 297.5464 -161725.6005 -109595.8822 298.7048 185.8975 204.5399 759926.2541 6.7236 6.9267 PRESSURE: 4812800 -106.437 -50.4616 133.893 -50.4623 44.3217 -11.215 133.893 -11.2153 -356.255 GPRESSURE: 4812800 -7.63221 -39.2245 104.564 -75.7205 11.0648 45.7179 16.8817 -7.11757 -355.567 PRESSAVG: 4812800 12.6281 -28.3939 21.3136 -28.3939 -3.3085 -46.3606 21.3136 -46.3605 -7.46072 GPRESSAVG: 4812800 11.7145 -26.4555 21.425 -29.3062 -2.24127 -47.972 21.0551 -44.9568 -7.40336 TIMING: 4812800 CPU: 15261.4, 0.00311512/step Wall: 15261.4, 0.00311512/step, 0.161986 hours remaining, 242.148438 MB of memory in use. ENERGY: 4812800 4021.1658 20588.2533 14418.5415 244.1281 -203427.5715 2473.0548 0.0000 0.0000 51598.6165 -110083.8115 296.5380 -161682.4280 -109722.5412 298.2666 -139.4568 -117.3782 761721.9056 0.6196 0.6900 PRESSURE: 4813000 -255.586 -15.7872 -112.582 -15.787 -121.761 -37.0028 -112.583 -37.0026 -180.253 GPRESSURE: 4813000 -202.831 -50.8854 -133.072 -36.8977 -145.038 -64.8855 -58.7553 -19.9735 -117.365 PRESSAVG: 4813000 -28.8211 -37.2292 -21.7 -37.2291 21.5943 54.6828 -21.7 54.6828 -15.482 GPRESSAVG: 4813000 -30.9852 -39.0476 -21.0705 -34.9968 22.8416 56.1908 -21.2849 54.5781 -15.2577 TIMING: 4813000 CPU: 15262, 0.00312521/step Wall: 15262, 0.00312521/step, 0.162337 hours remaining, 242.148438 MB of memory in use. ENERGY: 4813000 3958.0165 20416.0236 14421.4031 246.6414 -203265.2697 2256.6248 0.0000 0.0000 51901.8217 -110064.7385 298.2805 -161966.5602 -109696.3248 298.4309 -185.8662 -155.0779 761295.1360 -7.5696 -7.8005 PRESSURE: 4813200 56.4675 213.572 126.069 213.573 254.704 -59.3719 126.069 -59.3711 317.209 GPRESSURE: 4813200 218.018 141.369 119.319 146.027 227.138 -119.768 24.8917 -28.4879 268.736 PRESSAVG: 4813200 -67.483 11.6495 35.3912 11.6495 55.2136 -21.6722 35.3913 -21.6722 13.1198 GPRESSAVG: 4813200 -65.8836 10.561 34.1309 10.1968 54.6437 -20.5104 35.2051 -20.7793 12.3892 TIMING: 4813200 CPU: 15262.6, 0.00313234/step Wall: 15262.6, 0.00313234/step, 0.162534 hours remaining, 242.148438 MB of memory in use. ENERGY: 4813200 3906.6098 20300.8540 14551.5374 232.5065 -203812.8649 2830.3864 0.0000 0.0000 51908.4646 -110082.5063 298.3187 -161990.9709 -109718.3378 297.8861 209.4602 237.9637 760686.8684 0.2834 0.3831 PRESSURE: 4813400 -202.742 -3.1145 94.1722 -3.11436 -184.712 -63.3745 94.1722 -63.3758 59.5928 GPRESSURE: 4813400 -169.694 -121.472 79.6762 20.7073 -123.148 -5.22342 141.948 26.7905 43.7345 PRESSAVG: 4813400 -17.1604 -20.2141 -21.8627 -20.2141 -30.4617 18.2635 -21.8627 18.2635 -1.71854 GPRESSAVG: 4813400 -17.4881 -19.062 -20.2767 -19.4995 -30.6045 16.4864 -21.0692 18.5558 -1.21284 TIMING: 4813400 CPU: 15263.3, 0.00312494/step Wall: 15263.3, 0.00312494/step, 0.161976 hours remaining, 242.148438 MB of memory in use. ENERGY: 4813400 3982.4353 20580.0688 14404.0598 243.7085 -203472.1771 2559.5384 0.0000 0.0000 51737.8184 -109964.5479 297.3380 -161702.3663 -109602.0731 297.9112 -109.2872 -83.0358 762616.2391 -16.4469 -16.4352 PRESSURE: 4813600 -262.657 -28.2203 88.1786 -28.2203 -203.061 68.6695 88.179 68.6709 -138.785 GPRESSURE: 4813600 -200.425 76.7044 47.3712 43.3974 -127.638 44.2309 -15.14 127.612 -205.564 PRESSAVG: 4813600 -4.49802 -14.4802 -4.02229 -14.4802 19.7601 43.3475 -4.02224 43.3475 13.1412 GPRESSAVG: 4813600 -3.84381 -13.137 -6.87423 -13.3151 20.3523 43.8483 -6.40012 42.7478 12.481 TIMING: 4813600 CPU: 15263.9, 0.00313296/step Wall: 15263.9, 0.00313296/step, 0.162218 hours remaining, 242.148438 MB of memory in use. ENERGY: 4813600 3945.5927 20303.2909 14374.4919 238.8828 -203639.8588 2540.0334 0.0000 0.0000 52211.1482 -110026.4190 300.0582 -162237.5671 -109651.6476 298.1080 -201.5007 -177.8757 760830.2555 9.4678 9.6632 PRESSURE: 4813800 129.888 -32.8817 -88.8854 -32.8823 -405.739 -50.7709 -88.8866 -50.7711 -35.3743 GPRESSURE: 4813800 99.0677 -7.49993 -45.1515 1.45205 -285.782 -33.8113 -42.2081 -62.614 -57.587 PRESSAVG: 4813800 1.25246 -42.1506 -18.0487 -42.1506 -2.23251 43.9575 -18.0487 43.9575 2.16065 GPRESSAVG: 4813800 1.71255 -41.8149 -16.9673 -42.5102 -2.80632 44.5436 -15.5138 45.5168 1.83451 TIMING: 4813800 CPU: 15264.5, 0.00311939/step Wall: 15264.5, 0.00311939/step, 0.161342 hours remaining, 242.347656 MB of memory in use. ENERGY: 4813800 4044.6162 20563.2073 14437.3425 264.0688 -203691.3665 2583.4381 0.0000 0.0000 51822.2317 -109976.4618 297.8231 -161798.6935 -109614.6550 298.0527 -103.7418 -81.4339 761834.2805 0.3935 0.2469 PRESSURE: 4814000 241.731 17.7601 195.181 17.7601 -309.561 309.921 195.181 309.921 -98.1366 GPRESSURE: 4814000 316.566 -56.7614 63.4396 -49.1225 -304.103 181.542 174.298 254.376 -80.4139 PRESSAVG: 4814000 0.24307 -26.2194 -7.48236 -26.2195 -13.3419 37.8187 -7.4824 37.8186 2.95416 GPRESSAVG: 4814000 0.0747168 -27.3322 -6.33983 -26.7344 -12.716 35.9817 -7.72811 34.5542 3.3164 TIMING: 4814000 CPU: 15265.1, 0.00311606/step Wall: 15265.1, 0.00311606/step, 0.160996 hours remaining, 242.347656 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: 4814000 4041.1529 20460.3541 14445.5825 283.8853 -203714.4769 2716.4574 0.0000 0.0000 51755.7285 -110011.3161 297.4409 -161767.0446 -109653.1839 298.1219 -55.3222 -22.6502 761005.4678 -3.3816 -3.1083 PRESSURE: 4814200 120.916 47.572 -46.6376 47.5729 61.5676 12.2024 -46.6372 12.2024 100.188 GPRESSURE: 4814200 129.667 184.328 44.7176 -36.6057 79.0629 12.1196 -73.3264 7.03988 129.632 PRESSAVG: 4814200 12.8636 17.053 -3.25003 17.0529 -22.8909 13.2516 -3.25006 13.2515 -18.0391 GPRESSAVG: 4814200 12.3081 14.6878 -1.95805 17.5623 -22.5271 10.9747 -4.65313 14.8574 -18.1794 TIMING: 4814200 CPU: 15265.8, 0.00311575/step Wall: 15265.8, 0.00311575/step, 0.160807 hours remaining, 242.347656 MB of memory in use. ENERGY: 4814200 3934.5461 20574.9507 14557.7867 242.7670 -203629.9890 2760.5376 0.0000 0.0000 51866.6262 -109692.7747 298.0782 -161559.4009 -109324.2740 298.4161 94.2239 112.7871 760344.1624 -9.3554 -9.4661 PRESSURE: 4814400 -63.2376 -196.909 50.6131 -196.908 -342.688 270.425 50.6131 270.425 262.793 GPRESSURE: 4814400 -11.5989 -172.319 37.2374 -209.64 -302.092 207.229 112.087 254.849 260.746 PRESSAVG: 4814400 -74.2359 -19.2296 -0.507347 -19.2296 18.482 40.1046 -0.507404 40.1045 -3.77779 GPRESSAVG: 4814400 -74.1084 -15.8969 -2.11437 -20.2278 18.3328 43.3489 -0.567658 39.6361 -3.3892 TIMING: 4814400 CPU: 15266.4, 0.00311396/step Wall: 15266.4, 0.00311396/step, 0.160542 hours remaining, 242.347656 MB of memory in use. ENERGY: 4814400 4044.1941 20494.0372 14467.8084 241.5689 -203157.2416 2329.4739 0.0000 0.0000 51784.2671 -109795.8919 297.6049 -161580.1591 -109433.5801 298.7530 -47.7108 -17.6484 762051.0369 -19.8439 -19.7216 PRESSURE: 4814600 71.1677 -15.772 20.5544 -15.7717 -3.8251 -46.1938 20.5547 -46.1949 133.27 GPRESSURE: 4814600 103.685 29.1714 42.4134 47.8292 8.45747 12.3322 -37.0823 -157.044 179.895 PRESSAVG: 4814600 -7.73573 -24.6962 47.2327 -24.6962 14.0591 20.9343 47.2327 20.9343 -9.14292 GPRESSAVG: 4814600 -7.33937 -26.5168 46.3601 -25.4575 13.5912 19.7807 48.2652 20.5312 -8.71543 TIMING: 4814600 CPU: 15267, 0.00312017/step Wall: 15267, 0.00312017/step, 0.160689 hours remaining, 242.347656 MB of memory in use. ENERGY: 4814600 4040.4387 20439.1974 14405.1105 247.8462 -204104.4324 2895.0436 0.0000 0.0000 52231.7510 -109845.0451 300.1766 -162076.7960 -109484.9323 298.7193 66.8708 97.3459 758836.6827 -0.9399 -0.8212 PRESSURE: 4814800 233.397 55.5377 46.4734 55.5393 104.048 29.969 46.4736 29.9686 -103.37 GPRESSURE: 4814800 262.466 146.019 17.3819 33.0943 186.4 14.2136 -59.7863 123.649 -138.358 PRESSAVG: 4814800 -7.33693 -33.8967 -14.5694 -33.8966 -3.52485 -20.0676 -14.5694 -20.0677 -8.00748 GPRESSAVG: 4814800 -7.58995 -32.694 -12.5285 -35.0459 -3.03916 -20.4605 -16.4602 -19.1703 -8.72429 TIMING: 4814800 CPU: 15267.6, 0.00312728/step Wall: 15267.6, 0.00312728/step, 0.160881 hours remaining, 242.347656 MB of memory in use. ENERGY: 4814800 4000.1154 20439.3452 14471.3019 246.5609 -203954.1404 3015.7204 0.0000 0.0000 52064.8578 -109716.2388 299.2175 -161781.0966 -109349.4890 298.7896 78.0249 103.5029 762305.5490 -6.2898 -6.4511 PRESSURE: 4815000 -147.567 162.685 -62.0027 162.686 21.581 145.28 -62.0029 145.281 48.5403 GPRESSURE: 4815000 -32.2764 196.46 -67.8725 2.93178 -15.5305 192.004 -100.464 59.4511 68.4048 PRESSAVG: 4815000 43.7957 -32.8067 -16.5621 -32.8067 -15.0902 -19.0933 -16.562 -19.0933 3.82408 GPRESSAVG: 4815000 43.6372 -31.4274 -16.3119 -31.6593 -14.3875 -18.2127 -13.8897 -18.8218 2.64596 TIMING: 4815000 CPU: 15268.3, 0.00311671/step Wall: 15268.3, 0.00311671/step, 0.160164 hours remaining, 242.347656 MB of memory in use. ENERGY: 4815000 3932.2184 20690.4978 14451.3469 233.0468 -203890.3332 2777.2241 0.0000 0.0000 52170.2591 -109635.7400 299.8232 -161805.9990 -109263.8551 299.4096 -25.8154 6.8660 760399.8553 10.8432 10.6319 PRESSURE: 4815200 -6.34554 -72.2737 -69.018 -72.2745 -140.094 -106.338 -69.0172 -106.338 424.656 GPRESSURE: 4815200 109.464 -103.995 -30.2136 -72.9427 -133.587 -40.1102 -37.6918 -167.697 374.864 PRESSAVG: 4815200 53.1958 -9.96972 -15.0905 -9.96968 -25.7425 -8.70951 -15.0905 -8.7094 -39.2261 GPRESSAVG: 4815200 53.5477 -10.0358 -16.5167 -10.3914 -26.6886 -7.25875 -18.1697 -9.75385 -38.7715 TIMING: 4815200 CPU: 15268.9, 0.00313148/step Wall: 15268.9, 0.00313148/step, 0.160749 hours remaining, 242.347656 MB of memory in use. ENERGY: 4815200 3929.3306 20606.6707 14457.8669 220.4336 -203472.3318 2713.8992 0.0000 0.0000 51895.5856 -109648.5452 298.2446 -161544.1308 -109282.1565 299.1435 92.7388 116.9136 760326.1654 -3.9243 -3.9708 PRESSURE: 4815400 -187.614 -129.461 -112.051 -129.461 -258.869 11.977 -112.051 11.9768 6.16673 GPRESSURE: 4815400 -162.579 -166.835 -93.3591 -61.7454 -235.067 6.97332 -112.339 24.3731 51.9034 PRESSAVG: 4815400 4.78432 -0.706229 51.0014 -0.706238 -7.13206 -5.34677 51.0014 -5.3467 -6.27677 GPRESSAVG: 4815400 5.25781 -3.10499 53.285 0.134531 -7.27297 -6.84294 52.7316 -4.26051 -6.02565 TIMING: 4815400 CPU: 15269.5, 0.00312937/step Wall: 15269.5, 0.00312937/step, 0.160467 hours remaining, 242.347656 MB of memory in use. ENERGY: 4815400 3964.5945 20542.4924 14557.6571 241.7934 -203448.8163 2676.5724 0.0000 0.0000 51859.8782 -109605.8282 298.0394 -161465.7065 -109244.1383 298.9354 -146.7721 -115.2474 761714.1773 -2.8748 -2.6803 PRESSURE: 4815600 -96.9241 156.76 55.5735 156.76 -161.808 -16.0651 55.5733 -16.0655 -337.213 GPRESSURE: 4815600 -97.9218 -17.9002 80.8044 51.2201 -68.2326 -96.2375 -20.7461 31.0523 -341.416 PRESSAVG: 4815600 -30.2862 -7.86824 24.4613 -7.86821 27.0189 0.0437373 24.4613 0.043675 13.849 GPRESSAVG: 4815600 -30.3873 -5.98628 23.8692 -9.07007 26.8714 0.419073 23.352 0.164954 14.8126 TIMING: 4815600 CPU: 15270.1, 0.00315289/step Wall: 15270.1, 0.00315289/step, 0.161498 hours remaining, 242.347656 MB of memory in use. ENERGY: 4815600 4026.8797 20500.6111 14486.9837 241.4119 -203447.4865 2692.3500 0.0000 0.0000 51934.5390 -109564.7112 298.4685 -161499.2502 -109204.6575 299.2073 -198.6485 -169.1903 763312.6853 3.5272 3.7656 PRESSURE: 4815800 287.443 39.9693 -35.2159 39.9697 -129.835 -180.34 -35.2165 -180.338 -65.8957 GPRESSURE: 4815800 305.946 19.0295 92.8361 101.436 -74.1079 -211.409 -88.3892 -64.2802 -49.4464 PRESSAVG: 4815800 3.88839 -20.717 27.53 -20.717 -8.72625 -22.95 27.53 -22.95 26.1491 GPRESSAVG: 4815800 4.28834 -19.9801 27.9096 -19.9808 -7.97315 -24.6282 29.254 -22.9278 24.7737 TIMING: 4815800 CPU: 15270.8, 0.00315081/step Wall: 15270.8, 0.00315081/step, 0.161216 hours remaining, 242.347656 MB of memory in use. ENERGY: 4815800 3997.2540 20596.4951 14471.0895 242.5907 -203454.4385 2676.3399 0.0000 0.0000 51936.1115 -109534.5578 298.4775 -161470.6693 -109189.4676 299.2756 30.5706 60.7974 761306.7496 7.1038 7.0296 PRESSURE: 4816000 -336.806 -110.344 -81.7718 -110.343 -308.211 -224.619 -81.7715 -224.619 43.181 GPRESSURE: 4816000 -291.961 -44.2594 -43.4033 -26.7099 -260.289 -90.9954 -32.1492 -178.562 36.7491 PRESSAVG: 4816000 68.6988 14.3528 -3.96252 14.3528 -53.4797 -10.6035 -3.9625 -10.6035 -17.6398 GPRESSAVG: 4816000 67.9118 12.4149 -3.50177 14.4648 -53.1588 -8.9505 -6.02483 -12.1074 -16.7151 TIMING: 4816000 CPU: 15271.4, 0.00313541/step Wall: 15271.4, 0.0031354/step, 0.160254 hours remaining, 242.347656 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: 4816000 4019.2990 20596.4203 14463.4243 255.4223 -203038.1859 2369.4185 0.0000 0.0000 51865.5357 -109468.6658 298.0719 -161334.2015 -109109.8622 299.7367 -200.6119 -171.8335 762622.2715 -0.8069 -0.6540 PRESSURE: 4816200 -295.674 -151.247 235.675 -151.247 -364.604 139.201 235.674 139.199 18.1951 GPRESSURE: 4816200 -264.775 -152.845 166.02 -160.713 -330.246 56.2586 187.982 43.1915 29.1509 PRESSAVG: 4816200 17.4628 -31.9341 31.8959 -31.9341 -64.5955 -38.2576 31.8959 -38.2577 -17.4295 GPRESSAVG: 4816200 16.9416 -31.2594 29.6433 -32.0681 -64.357 -38.8959 35.9816 -36.7174 -17.6327 TIMING: 4816200 CPU: 15272, 0.00313052/step Wall: 15272, 0.00313052/step, 0.159831 hours remaining, 242.347656 MB of memory in use. ENERGY: 4816200 4012.6866 20492.7932 14455.3855 244.5209 -203460.1854 2669.9741 0.0000 0.0000 52150.5237 -109434.3015 299.7098 -161584.8252 -109070.9948 299.5649 -214.0276 -188.6234 760972.8279 -21.5207 -21.6827 LDB: ============= START OF LOAD BALANCING ============== 15284.5 LDB: ============== END OF LOAD BALANCING =============== 15284.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15284.5 LDB: ============= START OF LOAD BALANCING ============== 15284.8 LDB: Largest compute 7034 load 0.034458 is 17.6% of average load 0.195496 LDB: Average compute 0.004373 is 2.2% of average load 0.195496 LDB: TIME 15284.8 LOAD: AVG 0.195496 MAX 0.215508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.156 MB LDB: TIME 15284.8 LOAD: AVG 0.195496 MAX 0.215508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: TIME 15284.8 LOAD: AVG 0.195496 MAX 0.215508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.16 MB LDB: ============== END OF LOAD BALANCING =============== 15284.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15284.8 PRESSURE: 4816400 -16.9616 7.99858 -240.871 7.99851 63.8381 -220.387 -240.87 -220.386 58.5974 GPRESSURE: 4816400 -16.9659 43.0626 -239.008 -16.0141 116.732 -147.78 -136.798 -212.248 89.0341 PRESSAVG: 4816400 20.8013 2.50846 -19.7389 2.50845 -28.745 33.9098 -19.7388 33.9098 1.63687 GPRESSAVG: 4816400 22.2273 4.48639 -19.5203 1.82039 -28.6247 33.9666 -21.2039 35.43 -0.0869175 TIMING: 4816400 CPU: 15272.7, 0.00321281/step Wall: 15272.7, 0.00321281/step, 0.163853 hours remaining, 240.984375 MB of memory in use. ENERGY: 4816400 3963.0550 20647.1324 14469.4447 260.5425 -203860.9512 2803.5505 0.0000 0.0000 52318.7618 -109398.4644 300.6766 -161717.2262 -109036.4978 299.8819 35.1580 62.9333 761278.8467 -2.1023 -2.1615 PRESSURE: 4816600 -35.8012 -18.6836 97.2129 -18.6846 138.772 29.972 97.2127 29.9718 -199.151 GPRESSURE: 4816600 66.2646 37.9569 87.636 -31.0965 149.928 114.655 121.841 15.2595 -223.455 PRESSAVG: 4816600 -4.53342 -11.3476 -53.0407 -11.3475 22.2331 -45.254 -53.0407 -45.254 -19.086 GPRESSAVG: 4816600 -4.56705 -12.8505 -53.449 -9.55274 21.0841 -44.7854 -53.1392 -47.1166 -18.1012 TIMING: 4816600 CPU: 15273.3, 0.00315229/step Wall: 15273.3, 0.00315229/step, 0.160592 hours remaining, 241.187500 MB of memory in use. ENERGY: 4816600 3942.9669 20393.9761 14471.7412 252.5221 -203256.7073 2654.5734 0.0000 0.0000 52014.6267 -109526.3010 298.9288 -161540.9277 -109159.2317 299.5384 -32.0601 -2.4208 762181.4416 -0.4621 -0.5280 PRESSURE: 4816800 340.258 37.0373 105.186 37.0367 -313.24 103.294 105.186 103.294 158.247 GPRESSURE: 4816800 304.106 1.74037 137.547 148.084 -203.752 90.3511 117.754 199.025 169.023 PRESSAVG: 4816800 -44.3697 40.2207 -33.0111 40.2207 18.9504 4.95209 -33.0111 4.95209 -9.54795 GPRESSAVG: 4816800 -45.592 38.8944 -30.8917 39.9787 20.3703 4.08844 -33.2366 6.12873 -10.0727 TIMING: 4816800 CPU: 15273.9, 0.00311739/step Wall: 15273.9, 0.00311739/step, 0.158641 hours remaining, 241.187500 MB of memory in use. ENERGY: 4816800 3969.7363 20504.7963 14434.2910 257.4330 -203645.3959 2934.1084 0.0000 0.0000 52007.9711 -109537.0597 298.8905 -161545.0308 -109183.5765 299.1206 61.7553 89.7923 762785.6082 -11.6557 -11.7648 PRESSURE: 4817000 277.946 -133.101 -34.0058 -133.102 -32.3558 251.161 -34.0061 251.16 -127.838 GPRESSURE: 4817000 292.666 -112.31 -3.59062 -35.3884 15.453 262.895 -95.8624 107.118 -102.169 PRESSAVG: 4817000 55.8407 3.49382 10.4574 3.4938 -41.9854 43.6871 10.4574 43.6872 16.3984 GPRESSAVG: 4817000 58.0123 6.78012 8.71178 1.28958 -42.4625 43.6633 11.2511 41.4569 14.7432 TIMING: 4817000 CPU: 15274.5, 0.00312231/step Wall: 15274.5, 0.00312231/step, 0.158718 hours remaining, 241.187500 MB of memory in use. ENERGY: 4817000 3960.5750 20543.7005 14439.3886 239.2705 -203111.4921 2380.5235 0.0000 0.0000 51897.0511 -109650.9829 298.2531 -161548.0340 -109285.0943 299.5377 39.2507 68.6498 761684.5130 10.0846 10.0977 PRESSURE: 4817200 -118.676 -27.0985 -17.4204 -27.0987 -261.409 37.1437 -17.4209 37.1442 118.755 GPRESSURE: 4817200 -122.139 -37.1636 1.96004 -128.393 -178.602 -96.3231 33.2514 147.581 136.042 PRESSAVG: 4817200 51.1724 5.99544 1.50519 5.99538 -51.0436 -2.35449 1.50521 -2.35456 3.98603 GPRESSAVG: 4817200 49.7616 5.41397 2.2424 7.0214 -51.323 -3.7395 1.55987 -0.843341 6.0005 TIMING: 4817200 CPU: 15275.2, 0.00311991/step Wall: 15275.2, 0.00311991/step, 0.158422 hours remaining, 241.187500 MB of memory in use. ENERGY: 4817200 3988.7163 20641.8536 14432.9800 247.7237 -203274.6872 2568.3592 0.0000 0.0000 52021.3714 -109373.6830 298.9675 -161395.0544 -109009.6924 299.5331 -87.1101 -54.8999 761124.2571 1.3716 1.4797 PRESSURE: 4817400 328.721 -262.258 117.47 -262.259 49.9392 -304.016 117.47 -304.016 1.97159 GPRESSURE: 4817400 370.647 -297.671 35.3601 -183.17 -30.6397 -233.185 40.8342 -160.488 92.0607 PRESSAVG: 4817400 -3.4588 -61.1217 29.543 -61.1218 15.7987 -12.9212 29.5429 -12.9212 -0.969778 GPRESSAVG: 4817400 -2.17135 -64.0236 30.1285 -60.6056 16.917 -11.7041 27.1409 -11.1199 -3.29921 TIMING: 4817400 CPU: 15275.8, 0.00312181/step Wall: 15275.8, 0.00312181/step, 0.158345 hours remaining, 241.187500 MB of memory in use. ENERGY: 4817400 4007.7874 20534.3046 14469.4494 223.4798 -203402.0260 2542.9639 0.0000 0.0000 52288.5778 -109335.4631 300.5032 -161624.0409 -108982.1194 300.0579 126.8772 144.0228 761048.3447 3.7900 3.8155 PRESSURE: 4817600 -234.062 188.465 -66.0668 188.465 -22.1568 125.703 -66.0676 125.703 -221.132 GPRESSURE: 4817600 -124.238 196.52 -31.214 213.306 -61.9295 56.2118 -45.3009 38.5731 -223.128 PRESSAVG: 4817600 -65.7795 12.5556 -43.0788 12.5555 52.9876 -26.0264 -43.0788 -26.0264 2.80858 GPRESSAVG: 4817600 -66.5237 13.8041 -44.4875 11.702 51.9988 -26.0615 -42.9456 -27.684 4.41313 TIMING: 4817600 CPU: 15276.4, 0.00312261/step Wall: 15276.4, 0.00312261/step, 0.158212 hours remaining, 241.187500 MB of memory in use. ENERGY: 4817600 4014.1718 20488.1424 14472.5183 234.2768 -203212.9113 2464.2375 0.0000 0.0000 52185.9089 -109353.6555 299.9131 -161539.5644 -108996.2810 299.7355 -159.1170 -136.4319 760548.4206 -3.3278 -3.3706 PRESSURE: 4817800 -431.004 -268.085 142.686 -268.086 -352.825 -34.2216 142.687 -34.2225 -51.7912 GPRESSURE: 4817800 -397.172 -234.55 88.2334 -175.178 -307.526 -48.58 138.005 174.302 -57.1602 PRESSAVG: 4817800 -34.3319 -4.35552 13.3955 -4.35555 10.5127 10.6297 13.3956 10.6297 -3.00731 GPRESSAVG: 4817800 -34.2147 -5.89579 14.2144 -3.34604 9.96606 9.32853 14.8767 12.4726 -2.91966 TIMING: 4817800 CPU: 15277, 0.0031169/step Wall: 15277, 0.0031169/step, 0.15775 hours remaining, 241.187500 MB of memory in use. ENERGY: 4817800 4004.4829 20545.1544 14391.8405 255.6550 -203206.8843 2376.2798 0.0000 0.0000 52210.8474 -109422.6243 300.0565 -161633.4716 -109055.2402 299.8063 -278.5401 -253.9525 759957.6664 -8.9422 -9.0561 PRESSURE: 4818000 -495.428 -153.796 66.6519 -153.795 -217.16 -95.5103 66.6516 -95.5101 24.5165 GPRESSURE: 4818000 -371.79 -164.067 92.3364 -153.099 -232.762 -95.2944 -76.6684 -224.044 18.5833 PRESSAVG: 4818000 -41.3476 -37.4973 30.1765 -37.4973 70.7438 -4.51946 30.1764 -4.51944 22.891 GPRESSAVG: 4818000 -41.9442 -36.0446 29.4696 -38.4296 71.6422 -3.61608 28.436 -6.73852 22.5427 TIMING: 4818000 CPU: 15277.7, 0.00313744/step Wall: 15277.7, 0.00313744/step, 0.158615 hours remaining, 241.187500 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: 4818000 3971.1393 20418.2777 14532.7064 262.1604 -202983.8930 2340.6595 0.0000 0.0000 51853.5773 -109605.3723 298.0032 -161458.9496 -109239.2448 299.8657 -229.3570 -195.3228 760979.4354 17.4290 17.4136 PRESSURE: 4818200 46.7404 -45.5192 -72.5396 -45.5184 197.768 -71.34 -72.5392 -71.3405 -169.889 GPRESSURE: 4818200 118.995 -45.2813 -194.092 49.313 229.501 -71.9191 2.65662 -7.83089 -186.659 PRESSAVG: 4818200 -2.74335 -4.67832 16.3214 -4.67836 56.1407 -28.9321 16.3214 -28.9321 -16.4758 GPRESSAVG: 4818200 -1.71946 -4.58219 15.9938 -4.37042 56.4544 -29.3601 18.445 -27.7942 -17.1151 TIMING: 4818200 CPU: 15278.3, 0.00314618/step Wall: 15278.3, 0.00314618/step, 0.158882 hours remaining, 241.187500 MB of memory in use. ENERGY: 4818200 4027.6920 20437.1554 14466.4492 230.4426 -203339.6757 2604.7608 0.0000 0.0000 52159.1814 -109413.9941 299.7595 -161573.1755 -109055.2002 299.5805 24.8733 53.9459 759983.4576 12.3072 12.5399 PRESSURE: 4818400 -176.007 -69.7318 -6.70495 -69.7315 -123.395 -30.049 -6.70387 -30.049 -326.136 GPRESSURE: 4818400 -143.188 -42.1047 3.34128 -19.5402 -109.072 43.2693 -97.1457 -75.3147 -303.466 PRESSAVG: 4818400 -5.18571 11.1487 -12.2368 11.1486 24.0466 -8.35767 -12.2368 -8.35764 4.57108 GPRESSAVG: 4818400 -6.42521 10.6521 -11.5847 11.1297 23.1534 -9.31391 -13.475 -10.0616 5.79714 TIMING: 4818400 CPU: 15278.9, 0.00313802/step Wall: 15278.9, 0.00313802/step, 0.158296 hours remaining, 241.187500 MB of memory in use. ENERGY: 4818400 4011.3155 20549.4236 14489.0296 236.4888 -203351.6780 2554.2786 0.0000 0.0000 52197.3541 -109313.7878 299.9789 -161511.1419 -108946.9047 300.1863 -208.5128 -185.2418 762754.3546 7.8106 7.5085 PRESSURE: 4818600 51.4447 -94.1599 -57.7437 -94.1598 233.775 34.8577 -57.7436 34.8577 -286.271 GPRESSURE: 4818600 56.3538 -60.9571 -23.3661 -50.1168 220.729 66.442 -90.3892 -67.569 -201.758 PRESSAVG: 4818600 -3.72942 -61.9652 7.26666 -61.9652 -25.9023 -9.17105 7.26668 -9.17103 -22.2643 GPRESSAVG: 4818600 -4.71882 -61.5046 7.07455 -60.6264 -25.8069 -8.95074 6.6296 -6.62652 -21.5824 TIMING: 4818600 CPU: 15279.6, 0.003137/step Wall: 15279.6, 0.003137/step, 0.15807 hours remaining, 241.187500 MB of memory in use. ENERGY: 4818600 4020.1644 20512.7658 14501.6026 230.3337 -203383.0003 2495.6770 0.0000 0.0000 52004.3725 -109618.0842 298.8698 -161622.4567 -109265.9467 299.5712 -0.3504 25.1082 762010.2986 -17.2987 -17.3694 PRESSURE: 4818800 -219.168 -10.5296 137.449 -10.53 184.988 203.397 137.449 203.397 -8.42932 GPRESSURE: 4818800 -165.177 21.7257 154.683 -23.3949 257.408 225.167 183.7 73.7494 -49.692 PRESSAVG: 4818800 -3.93932 -74.8585 -9.92212 -74.8585 21.0489 21.3536 -9.92216 21.3536 12.9723 GPRESSAVG: 4818800 -3.63231 -75.9627 -8.34704 -75.9735 20.9298 22.774 -11.1522 18.9393 12.6105 TIMING: 4818800 CPU: 15280.2, 0.00314291/step Wall: 15280.2, 0.00314291/step, 0.158193 hours remaining, 241.187500 MB of memory in use. ENERGY: 4818800 4028.0128 20527.4276 14423.8749 237.2182 -203831.3614 2681.2120 0.0000 0.0000 52172.3821 -109761.2338 299.8354 -161933.6160 -109401.5385 299.6038 -14.2034 14.1797 759764.4401 10.0273 9.9693 PRESSURE: 4819000 17.5402 -174.974 190.803 -174.974 -350.687 28.3367 190.804 28.338 -59.1654 GPRESSURE: 4819000 116.418 -189.774 140.264 -95.5617 -335.058 40.0233 177.33 73.4528 -106.685 PRESSAVG: 4819000 33.5323 -32.3606 47.1699 -32.3606 4.22912 24.0112 47.1698 24.0113 1.60542 GPRESSAVG: 4819000 34.639 -30.3905 47.664 -31.2664 4.30183 22.5738 48.0201 25.0262 0.226305 TIMING: 4819000 CPU: 15280.8, 0.0031227/step Wall: 15280.8, 0.0031227/step, 0.157002 hours remaining, 241.187500 MB of memory in use. ENERGY: 4819000 4029.8481 20373.2819 14380.3037 250.7186 -203639.1525 2741.9371 0.0000 0.0000 52029.4298 -109833.6332 299.0138 -161863.0631 -109473.6908 299.2644 -130.7706 -108.4417 760948.9542 13.1223 13.0557 PRESSURE: 4819200 -55.4889 -21.2779 114.656 -21.277 -130.399 40.683 114.655 40.6822 -311.044 GPRESSURE: 4819200 9.22517 -142.525 82.5827 -33.0307 -117.921 -43.9206 167.582 49.2363 -302.057 PRESSAVG: 4819200 43.0218 -60.448 -40.0198 -60.448 -61.7176 13.4451 -40.0198 13.4451 3.72084 GPRESSAVG: 4819200 42.8787 -61.6731 -41.3136 -61.5718 -61.5125 14.0169 -39.2365 10.9999 4.21482 TIMING: 4819200 CPU: 15281.4, 0.00313912/step Wall: 15281.4, 0.00313912/step, 0.157653 hours remaining, 241.187500 MB of memory in use. ENERGY: 4819200 4002.2891 20401.1579 14410.4122 228.0403 -203604.6655 2585.3062 0.0000 0.0000 51987.7078 -109989.7521 298.7741 -161977.4598 -109623.6286 298.5693 -165.6438 -136.9177 759821.5906 -4.9917 -4.8063 PRESSURE: 4819400 -109.002 53.0875 60.9969 53.0877 -69.9913 36.7857 60.9978 36.7856 251.107 GPRESSURE: 4819400 -33.4484 -41.4849 82.99 -62.2261 -78.6638 -60.1236 -38.9925 2.89145 256.293 PRESSAVG: 4819400 19.2358 -25.4432 53.828 -25.4431 13.7075 3.49185 53.828 3.49184 10.5999 GPRESSAVG: 4819400 18.5443 -26.4761 54.8843 -25.1596 14.6692 3.16906 53.6184 5.98013 10.2182 TIMING: 4819400 CPU: 15282.1, 0.00311721/step Wall: 15282.1, 0.00311721/step, 0.15638 hours remaining, 241.187500 MB of memory in use. ENERGY: 4819400 4080.0085 20471.8667 14458.1289 231.4176 -204017.9850 2813.4280 0.0000 0.0000 52150.3786 -109812.7566 299.7089 -161963.1352 -109465.1849 298.6426 24.0377 48.0603 759067.8944 14.5144 14.4772 PRESSURE: 4819600 -137.268 -70.4059 43.5065 -70.4062 13.4497 82.9529 43.5067 82.952 262.998 GPRESSURE: 4819600 -102.296 -61.9083 81.5009 22.8916 11.6842 -36.0911 216.41 9.55336 337.29 PRESSAVG: 4819600 0.775543 13.4526 -12.4432 13.4526 -8.26718 3.99658 -12.4432 3.99663 -12.1976 GPRESSAVG: 4819600 1.4822 14.1939 -13.0411 15.3514 -9.32007 4.8089 -10.536 2.31594 -11.5301 TIMING: 4819600 CPU: 15282.7, 0.0031132/step Wall: 15282.7, 0.0031132/step, 0.156006 hours remaining, 241.187500 MB of memory in use. ENERGY: 4819600 4011.2978 20506.1884 14486.7399 245.5741 -203534.1262 2525.3934 0.0000 0.0000 52090.9817 -109667.9509 299.3676 -161758.9326 -109299.5358 299.1628 46.3933 82.2261 758477.0246 -6.5631 -6.4560 PRESSURE: 4819800 -73.0406 102.756 -227.924 102.756 -98.8962 -46.4092 -227.925 -46.4106 -0.762916 GPRESSURE: 4819800 -23.3637 78.8464 -183.95 61.3146 -96.2769 -26.9903 -278.93 -112.423 26.4107 PRESSAVG: 4819800 15.3445 -16.3689 10.3015 -16.3689 24.4639 40.2619 10.3014 40.2619 23.5868 GPRESSAVG: 4819800 15.0073 -16.0236 10.494 -18.3852 25.095 41.0675 11.4285 40.1115 24.0411 TIMING: 4819800 CPU: 15283.3, 0.00312345/step Wall: 15283.3, 0.00312345/step, 0.156346 hours remaining, 241.187500 MB of memory in use. ENERGY: 4819800 4039.3369 20445.4261 14480.7495 241.5899 -203377.8974 2444.5246 0.0000 0.0000 52090.2969 -109635.9734 299.3637 -161726.2704 -109279.7485 299.1780 -57.5666 -31.0766 758813.8552 21.1317 21.3811 PRESSURE: 4820000 -390.092 -162.045 -3.29672 -162.046 -402.03 106.244 -3.29628 106.244 4.83455 GPRESSURE: 4820000 -357.364 -224.776 -15.0956 -78.8727 -343.233 141.066 -13.3038 -57.7218 5.05079 PRESSAVG: 4820000 10.3546 -32.6457 -30.0766 -32.6458 -44.5856 32.171 -30.0767 32.171 5.93504 GPRESSAVG: 4820000 10.267 -33.3972 -28.1991 -30.4621 -45.3009 30.9186 -31.8267 31.8714 7.04589 TIMING: 4820000 CPU: 15283.9, 0.00314257/step Wall: 15283.9, 0.00314257/step, 0.157129 hours remaining, 241.187500 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: 4820000 4041.9136 20347.7780 14522.6159 258.4176 -203425.9907 2450.2682 0.0000 0.0000 52039.7977 -109765.1995 299.0734 -161804.9973 -109407.0937 299.0022 -262.4290 -231.8486 758896.8268 -9.4320 -9.3293 PRESSURE: 4820200 -174.224 -192.697 -77.6001 -192.697 -153.699 -16.6748 -77.6003 -16.676 235.698 GPRESSURE: 4820200 -170.281 -95.5636 46.3115 -275.701 -63.9893 -9.10766 -133.642 14.5148 214.346 PRESSAVG: 4820200 41.7296 -19.4105 31.5771 -19.4105 -68.6292 6.56113 31.577 6.56114 28.7999 GPRESSAVG: 4820200 41.9168 -19.4288 32.0971 -21.2489 -67.2861 5.42618 31.4754 8.79164 26.9981 TIMING: 4820200 CPU: 15284.6, 0.00312055/step Wall: 15284.6, 0.00312055/step, 0.155854 hours remaining, 241.187500 MB of memory in use. ENERGY: 4820200 3926.6307 20454.2910 14559.3954 243.9969 -203428.2758 2615.2352 0.0000 0.0000 51876.6311 -109752.0956 298.1357 -161628.7267 -109398.7104 298.8951 -30.7417 -6.6415 759120.1005 0.6334 0.5430 LDB: ============= START OF LOAD BALANCING ============== 15297 LDB: ============== END OF LOAD BALANCING =============== 15297 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15297 LDB: ============= START OF LOAD BALANCING ============== 15297.3 LDB: Largest compute 7069 load 0.035868 is 18.3% of average load 0.195590 LDB: Average compute 0.004372 is 2.2% of average load 0.195590 LDB: TIME 15297.3 LOAD: AVG 0.19559 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15297.3 LOAD: AVG 0.19559 MAX 0.216112 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: TIME 15297.3 LOAD: AVG 0.19559 MAX 0.216112 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.555 MB LDB: ============== END OF LOAD BALANCING =============== 15297.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15297.3 PRESSURE: 4820400 -138.342 -157.766 65.3677 -157.765 120.421 -141.676 65.3686 -141.676 35.2281 GPRESSURE: 4820400 -85.4266 -179.72 54.4619 -124.985 104.996 -78.3831 202.644 -160.671 93.2265 PRESSAVG: 4820400 13.7444 -55.0191 34.3216 -55.0192 -61.7234 47.0166 34.3216 47.0166 -8.26928 GPRESSAVG: 4820400 13.0078 -54.5885 30.9213 -55.4196 -62.6276 49.508 33.3716 44.5803 -6.44065 TIMING: 4820400 CPU: 15285.2, 0.00320825/step Wall: 15285.2, 0.00320825/step, 0.160056 hours remaining, 242.601562 MB of memory in use. ENERGY: 4820400 3855.3128 20511.8258 14544.2690 234.6091 -203557.8317 2442.3699 0.0000 0.0000 52202.6299 -109766.8153 300.0092 -161969.4452 -109399.5208 298.8673 5.7691 37.5987 759216.3495 -18.7494 -18.6868 PRESSURE: 4820600 169.293 -174.315 121.203 -174.315 50.4069 -156.796 121.203 -156.796 75.1908 GPRESSURE: 4820600 138.448 -170.501 97.2785 -215.426 136.494 -181.957 111.466 -37.6024 116.683 PRESSAVG: 4820600 -24.4441 -60.3769 -5.37753 -60.3769 -5.88984 -7.96408 -5.37758 -7.96412 -15.2773 GPRESSAVG: 4820600 -24.5502 -58.9057 -4.08325 -60.259 -3.81295 -8.18862 -3.26697 -7.43858 -16.8466 TIMING: 4820600 CPU: 15285.8, 0.00314092/step Wall: 15285.8, 0.00314092/step, 0.156522 hours remaining, 242.671875 MB of memory in use. ENERGY: 4820600 3892.4383 20594.2337 14478.0346 255.6346 -203241.3699 2505.4834 0.0000 0.0000 52025.5448 -109490.0004 298.9915 -161515.5452 -109130.7581 299.2037 98.2968 130.5418 758929.7323 -15.2037 -15.0699 PRESSURE: 4820800 -115.521 -18.6116 8.01569 -18.6117 199.26 72.9116 8.01634 72.9118 -126.05 GPRESSURE: 4820800 -4.44688 55.121 -95.2737 42.0739 151.882 -38.1128 -46.8984 6.01987 -103.822 PRESSAVG: 4820800 31.3621 -27.3244 -16.4534 -27.3244 39.0722 25.1285 -16.4535 25.1285 51.2618 GPRESSAVG: 4820800 31.6565 -28.38 -17.9064 -27.4863 39.4076 24.5322 -17.3694 24.2466 51.0683 TIMING: 4820800 CPU: 15286.5, 0.0031314/step Wall: 15286.5, 0.0031314/step, 0.155874 hours remaining, 242.671875 MB of memory in use. ENERGY: 4820800 4046.5081 20445.8377 14482.2321 249.7227 -203529.7150 2537.5655 0.0000 0.0000 52196.3408 -109571.5082 299.9731 -161767.8490 -109214.1791 299.4740 -14.1034 14.5375 757163.2717 40.5654 40.7108 PRESSURE: 4821000 18.8903 288.218 61.3935 288.219 -97.8439 -76.5411 61.3946 -76.5403 288.8 GPRESSURE: 4821000 52.7878 170.047 180.213 327.55 -27.8541 -55.2427 -21.5201 -61.668 263.134 PRESSAVG: 4821000 12.7531 -20.4486 15.6207 -20.4486 -27.7567 5.04911 15.6207 5.04917 -28.8992 GPRESSAVG: 4821000 13.0356 -20.6005 16.6754 -20.8628 -30.7957 5.3962 15.0555 6.39021 -26.6328 TIMING: 4821000 CPU: 15287.1, 0.00313835/step Wall: 15287.1, 0.00313836/step, 0.156046 hours remaining, 242.671875 MB of memory in use. ENERGY: 4821000 3912.9615 20554.3566 14474.0059 218.4121 -203531.7421 2699.1177 0.0000 0.0000 51896.2604 -109776.6279 298.2485 -161672.8883 -109420.8816 298.7758 69.9489 96.0224 758815.1392 -14.6343 -14.7976 PRESSURE: 4821200 -436.097 216.148 -69.3472 216.147 -117.023 76.0689 -69.347 76.0677 -879.647 GPRESSURE: 4821200 -391.94 159.878 -45.1507 237.044 -177.477 112.114 -48.1318 48.4882 -770.143 PRESSAVG: 4821200 -12.3694 -1.66441 -1.0485 -1.66443 39.911 45.861 -1.04856 45.861 15.2051 GPRESSAVG: 4821200 -12.1464 -1.50099 -2.30311 0.128266 41.5153 45.4726 0.922539 44.6739 13.9633 TIMING: 4821200 CPU: 15287.7, 0.00314337/step Wall: 15287.7, 0.00314337/step, 0.156121 hours remaining, 242.671875 MB of memory in use. ENERGY: 4821200 3977.0928 20532.1736 14496.8680 250.5755 -203706.6344 2530.3415 0.0000 0.0000 52239.7913 -109679.7917 300.2228 -161919.5831 -109316.7258 299.1505 -477.5892 -446.5201 758935.7999 14.2489 14.4441 PRESSURE: 4821400 -356.59 123.63 -60.7019 123.63 -52.3069 -13.7919 -60.7018 -13.7915 373.559 GPRESSURE: 4821400 -297.982 228.47 -90.1698 120.965 -25.4328 53.9818 -40.3949 -41.516 386.746 PRESSAVG: 4821400 -50.1646 -2.21349 -22.529 -2.21342 72.2158 53.3432 -22.5291 53.3432 10.2225 GPRESSAVG: 4821400 -50.1708 -3.60532 -22.1052 -1.01227 72.8718 53.4223 -22.9164 53.9877 9.57766 TIMING: 4821400 CPU: 15288.3, 0.00313714/step Wall: 15288.3, 0.00313714/step, 0.155637 hours remaining, 242.671875 MB of memory in use. ENERGY: 4821400 3915.3969 20560.6281 14532.6300 236.6792 -202933.9316 2047.3125 0.0000 0.0000 51835.4085 -109805.8764 297.8988 -161641.2849 -109439.4282 298.5818 -11.7793 21.1103 760704.1336 10.7579 10.7595 PRESSURE: 4821600 362.649 -23.2216 -59.373 -23.2225 321.481 290.609 -59.3732 290.608 -398.936 GPRESSURE: 4821600 364.431 -57.9904 -66.3025 71.5078 249.915 315.19 -52.6707 91.5486 -245.188 PRESSAVG: 4821600 -32.0245 -20.7394 25.2046 -20.7394 49.6706 22.527 25.2046 22.527 -2.59974 GPRESSAVG: 4821600 -31.5819 -18.2511 24.686 -21.9261 48.3146 22.0686 25.0568 23.4998 -2.04238 TIMING: 4821600 CPU: 15289, 0.00314616/step Wall: 15289, 0.00314616/step, 0.15591 hours remaining, 242.671875 MB of memory in use. ENERGY: 4821600 4013.8970 20455.5078 14444.8965 237.6673 -203889.7619 2882.8465 0.0000 0.0000 52030.3673 -109824.5794 299.0192 -161854.9466 -109463.9437 299.1016 95.0644 123.0528 760751.1204 5.0155 4.8968 PRESSURE: 4821800 0.253342 238.764 82.0165 238.763 -6.99906 82.8739 82.0172 82.8747 -77.7058 GPRESSURE: 4821800 -31.7848 254.954 101.306 226.972 79.7022 -93.5435 78.5425 246.205 -24.049 PRESSAVG: 4821800 58.3188 -47.7484 -6.1076 -47.7485 -50.3508 33.1387 -6.10762 33.1388 4.29156 GPRESSAVG: 4821800 57.6021 -49.932 -5.89999 -47.0816 -50.7038 32.336 -4.85629 31.856 4.76457 TIMING: 4821800 CPU: 15289.6, 0.00314593/step Wall: 15289.6, 0.00314593/step, 0.155724 hours remaining, 242.671875 MB of memory in use. ENERGY: 4821800 3979.9888 20654.8203 14423.6372 227.2739 -203672.1620 2653.3886 0.0000 0.0000 52071.6127 -109661.4406 299.2563 -161733.0532 -109301.2308 299.3767 -28.1505 7.9561 760988.8383 4.0865 3.8876 PRESSURE: 4822000 -271.637 -69.7672 59.9229 -69.7668 -475.815 176.834 59.9227 176.833 -61.0722 GPRESSURE: 4822000 -164.83 -147.579 67.4749 -25.1026 -360.444 110.728 32.3769 110.283 -193.432 PRESSAVG: 4822000 -7.71635 -48.0725 -5.31325 -48.0725 -34.418 8.87932 -5.31325 8.87939 14.8311 GPRESSAVG: 4822000 -8.09454 -46.9343 -6.23115 -49.2151 -32.5947 10.4989 -6.59381 8.92029 13.6739 TIMING: 4822000 CPU: 15290.2, 0.00313861/step Wall: 15290.2, 0.00313861/step, 0.155187 hours remaining, 242.671875 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: 4822000 3974.0387 20574.5089 14441.6758 239.4390 -203474.2306 2411.8030 0.0000 0.0000 51931.3913 -109901.3740 298.4504 -161832.7653 -109530.0395 298.9969 -269.5078 -239.5691 760879.2493 -9.1011 -9.0051 PRESSURE: 4822200 71.5279 -146.154 145.432 -146.154 259.112 142.089 145.433 142.089 -70.555 GPRESSURE: 4822200 109.145 -69.4289 110.421 -222.286 195.052 191.306 270.642 187.888 37.0255 PRESSAVG: 4822200 -19.3988 -51.8002 14.406 -51.8002 42.304 46.1468 14.406 46.1467 2.97945 GPRESSAVG: 4822200 -19.9225 -49.7389 15.6446 -52.5125 41.1032 44.7906 14.1497 45.3614 4.4786 TIMING: 4822200 CPU: 15290.9, 0.00314646/step Wall: 15290.9, 0.00314645/step, 0.1554 hours remaining, 242.671875 MB of memory in use. ENERGY: 4822200 3939.8422 20485.6994 14425.3925 250.5805 -203440.9321 2479.7769 0.0000 0.0000 52039.0882 -109820.5525 299.0694 -161859.6407 -109461.9534 299.0083 86.6951 113.7407 759733.6115 8.6282 8.5531 PRESSURE: 4822400 167.866 -149.667 -188.063 -149.667 -158.997 126.548 -188.063 126.549 24.3874 GPRESSURE: 4822400 196.077 -57.187 -254.222 -172.722 -160.125 127.139 -58.0645 203.757 67.3086 PRESSAVG: 4822400 31.3027 -96.4047 32.3244 -96.4046 -46.5188 12.5619 32.3244 12.5618 12.104 GPRESSAVG: 4822400 32.3601 -98.1624 33.8132 -95.4967 -45.8564 12.837 32.8062 13.4573 10.6848 TIMING: 4822400 CPU: 15291.5, 0.00313865/step Wall: 15291.5, 0.00313866/step, 0.15484 hours remaining, 242.671875 MB of memory in use. ENERGY: 4822400 3963.9152 20490.3848 14420.2914 250.0420 -204147.5502 2921.1495 0.0000 0.0000 52086.4766 -110015.2907 299.3417 -162101.7673 -109664.7560 298.8645 11.0856 34.4199 760920.7248 -1.0374 -0.9371 PRESSURE: 4822600 -30.1266 258.019 -149.933 258.019 186.397 113.36 -149.932 113.36 -20.0274 GPRESSURE: 4822600 -41.6456 206.071 -117.275 180.485 236.753 116.418 -23.1604 245.115 42.3375 PRESSAVG: 4822600 -1.47356 -56.8731 -62.4641 -56.873 -29.3096 82.9041 -62.464 82.9041 1.69511 GPRESSAVG: 4822600 -1.69321 -57.2811 -64.6176 -56.141 -28.5785 84.0844 -60.983 83.1033 1.57276 TIMING: 4822600 CPU: 15292.1, 0.00314646/step Wall: 15292.1, 0.00314646/step, 0.155051 hours remaining, 242.671875 MB of memory in use. ENERGY: 4822600 3988.4454 20461.0666 14434.9581 252.3887 -203528.8234 2628.5047 0.0000 0.0000 51864.5763 -109898.8837 298.0664 -161763.4600 -109548.4258 298.3213 45.4142 79.1483 760189.9584 -9.6960 -9.5663 PRESSURE: 4822800 119.996 47.8143 19.9581 47.814 -163.808 119.474 19.9573 119.474 -289.881 GPRESSURE: 4822800 94.6845 -45.8056 32.6014 116.185 -112.67 57.7184 -31.1489 188.237 -225.888 PRESSAVG: 4822800 -55.6381 -46.5909 -72.2879 -46.5909 69.5952 34.4573 -72.2879 34.4573 -2.42897 GPRESSAVG: 4822800 -56.138 -44.2318 -72.0133 -46.2976 69.7522 34.7852 -73.2546 33.4531 -1.96384 TIMING: 4822800 CPU: 15292.7, 0.00313517/step Wall: 15292.7, 0.00313517/step, 0.15432 hours remaining, 242.671875 MB of memory in use. ENERGY: 4822800 3971.1653 20386.1493 14461.3783 248.3368 -203503.8509 2397.0052 0.0000 0.0000 52055.8891 -109983.9270 299.1659 -162039.8160 -109623.5909 298.4174 -111.2312 -81.2910 759422.5209 3.8427 3.8834 PRESSURE: 4823000 -122.36 -51.9985 125.318 -51.9993 112.173 -81.5244 125.318 -81.5254 46.2554 GPRESSURE: 4823000 -76.3599 25.5665 155.434 -67.0988 156.065 -50.9489 79.1584 -271.441 33.0721 PRESSAVG: 4823000 6.26857 -36.0873 2.35334 -36.0872 -9.17626 28.8385 2.35335 28.8384 -5.67644 GPRESSAVG: 4823000 6.08973 -37.9887 1.73409 -36.1664 -10.9466 28.0691 1.43126 27.8492 -4.62242 TIMING: 4823000 CPU: 15293.4, 0.00314461/step Wall: 15293.4, 0.00314461/step, 0.15461 hours remaining, 242.671875 MB of memory in use. ENERGY: 4823000 3986.1889 20421.6089 14453.0001 264.6976 -203383.3029 2440.8558 0.0000 0.0000 51820.2036 -109996.7480 297.8114 -161816.9516 -109635.2811 298.3035 12.0230 37.5924 759693.6128 -2.8614 -3.1598 PRESSURE: 4823200 -150.36 183.764 109.429 183.763 -335.066 -80.9557 109.427 -80.9545 -246.174 GPRESSURE: 4823200 -107.675 198.422 136.126 189.896 -302.705 -145.179 103.125 -44.5294 -245.975 PRESSAVG: 4823200 -15.2911 -42.5064 -9.55256 -42.5065 -5.4558 -33.6068 -9.55259 -33.6068 -6.30131 GPRESSAVG: 4823200 -15.5704 -42.6974 -8.20249 -42.6953 -4.19069 -33.1359 -9.13021 -32.5208 -7.2303 TIMING: 4823200 CPU: 15294, 0.00313634/step Wall: 15294, 0.00313634/step, 0.154029 hours remaining, 242.671875 MB of memory in use. ENERGY: 4823200 4119.2925 20457.6571 14441.2084 231.5792 -203768.8832 2759.2794 0.0000 0.0000 51960.6820 -109799.1846 298.6188 -161759.8666 -109437.6648 298.7438 -243.8670 -218.7849 760718.2919 -9.0161 -8.9971 PRESSURE: 4823400 -232.744 -323.154 -150.741 -323.155 -306.559 -153.932 -150.741 -153.932 -68.8372 GPRESSURE: 4823400 -203.836 -312.348 -159.457 -345.266 -269.581 -126.767 -101.07 -178.904 -65.1242 PRESSAVG: 4823400 4.85757 -42.4201 -56.8876 -42.42 -18.7293 -17.9314 -56.8877 -17.9314 -0.53637 GPRESSAVG: 4823400 5.49946 -42.4897 -57.2762 -43.9763 -19.2032 -20.2416 -58.3778 -18.2096 -0.96919 TIMING: 4823400 CPU: 15294.6, 0.00314641/step Wall: 15294.6, 0.00314641/step, 0.154349 hours remaining, 242.671875 MB of memory in use. ENERGY: 4823400 3942.4720 20654.0704 14414.3699 228.5176 -202772.0096 1980.8906 0.0000 0.0000 51698.3824 -109853.3068 297.1113 -161551.6892 -109500.7920 298.9913 -202.7131 -179.5138 760180.2629 -4.8027 -4.8910 PRESSURE: 4823600 269.332 -15.3913 97.5827 -15.3913 -107.222 -131.897 97.5831 -131.898 -233.498 GPRESSURE: 4823600 130.778 -25.4597 -58.276 26.9002 -37.4709 -42.2171 148.574 13.2137 -82.5704 PRESSAVG: 4823600 -11.6501 -31.4654 12.5068 -31.4654 20.8399 38.8623 12.5069 38.8624 5.23634 GPRESSAVG: 4823600 -11.7115 -30.3016 12.9535 -31.3327 20.3684 39.2993 12.9157 40.0257 6.14972 TIMING: 4823600 CPU: 15295.3, 0.0031528/step Wall: 15295.3, 0.0031528/step, 0.154487 hours remaining, 242.671875 MB of memory in use. ENERGY: 4823600 4021.7176 20483.8393 14534.7087 231.9304 -203520.9514 2434.7272 0.0000 0.0000 51808.8282 -110005.2000 297.7460 -161814.0282 -109647.2218 298.5857 -23.7959 3.5790 759043.6600 4.8087 4.9355 PRESSURE: 4823800 -108.244 200.327 -51.0291 200.328 5.19766 9.2144 -51.0294 9.21341 -387.127 GPRESSURE: 4823800 -82.7858 133.921 -106.335 254.926 -8.9866 16.8316 -112.945 -22.8796 -316.426 PRESSAVG: 4823800 27.4419 -28.9334 -10.9085 -28.9334 -34.7378 2.842 -10.9085 2.84194 -5.66954 GPRESSAVG: 4823800 26.178 -27.6775 -10.2327 -27.5433 -34.2098 4.02392 -10.9802 2.37991 -5.2644 TIMING: 4823800 CPU: 15295.9, 0.00314297/step Wall: 15295.9, 0.00314297/step, 0.153831 hours remaining, 242.671875 MB of memory in use. ENERGY: 4823800 3988.0218 20341.6685 14443.4590 250.1778 -203501.7743 2489.9729 0.0000 0.0000 51908.2633 -110080.2109 298.3175 -161988.4742 -109712.0774 298.4266 -163.3913 -136.0662 759210.2206 -4.3218 -4.4321 PRESSURE: 4824000 -340.289 -77.6738 -34.5057 -77.6737 -263.659 121.944 -34.5054 121.944 -27.2338 GPRESSURE: 4824000 -286.137 67.7199 56.1624 -118.597 -213.365 61.0324 -95.3108 106.666 -28.4882 PRESSAVG: 4824000 -1.6798 38.2845 26.3547 38.2845 19.9126 2.90602 26.3548 2.90611 -8.36974 GPRESSAVG: 4824000 -0.644587 36.1252 26.1329 38.323 20.2817 0.298795 25.4495 4.66816 -9.12985 TIMING: 4824000 CPU: 15296.5, 0.00314383/step Wall: 15296.5, 0.00314383/step, 0.153698 hours remaining, 242.671875 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: 4824000 3963.4049 20447.2113 14435.8142 251.9318 -203323.9908 2232.9415 0.0000 0.0000 51817.1058 -110175.5813 297.7936 -161992.6871 -109812.0094 297.9607 -210.3940 -175.9968 759521.4035 3.2877 3.5024 PRESSURE: 4824200 452.983 102.179 -221.598 102.179 -100.253 -34.4536 -221.598 -34.4525 -140.193 GPRESSURE: 4824200 415.352 116.964 -158.809 98.2159 -49.0934 -75.1507 -190.183 0.350948 -86.0553 PRESSAVG: 4824200 26.8775 -24.1114 1.61152 -24.1114 -34.8894 21.5247 1.61162 21.5247 -2.45188 GPRESSAVG: 4824200 26.7847 -25.3781 0.615855 -23.9914 -34.4545 23.2892 5.40025 20.8506 -2.77282 TIMING: 4824200 CPU: 15297.1, 0.00314553/step Wall: 15297.1, 0.00314553/step, 0.153607 hours remaining, 242.671875 MB of memory in use. ENERGY: 4824200 4019.3306 20305.6703 14414.0876 231.6975 -204035.4030 2861.4665 0.0000 0.0000 51989.5308 -110213.6197 298.7845 -162203.1505 -109849.3207 297.9514 70.8454 93.4011 759592.4039 -3.4880 -3.4809 LDB: ============= START OF LOAD BALANCING ============== 15309.6 LDB: ============== END OF LOAD BALANCING =============== 15309.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15309.6 LDB: ============= START OF LOAD BALANCING ============== 15309.9 LDB: Largest compute 7055 load 0.033640 is 17.2% of average load 0.195611 LDB: Average compute 0.004357 is 2.2% of average load 0.195611 LDB: TIME 15309.9 LOAD: AVG 0.195611 MAX 0.214962 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.871 MB LDB: TIME 15309.9 LOAD: AVG 0.195611 MAX 0.214962 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: TIME 15309.9 LOAD: AVG 0.195611 MAX 0.214962 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.871 MB LDB: ============== END OF LOAD BALANCING =============== 15309.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15309.9 PRESSURE: 4824400 -196.183 -190.393 87.6473 -190.392 -169.145 -32.7747 87.6475 -32.7738 -49.3551 GPRESSURE: 4824400 -130.646 -208.911 103.31 -87.6821 -107.162 -68.6883 157.321 -52.2891 -65.781 PRESSAVG: 4824400 39.8941 -4.7137 20.2345 -4.71374 18.244 2.60737 20.2344 2.60735 -4.44309 GPRESSAVG: 4824400 41.424 -4.2528 20.7734 -4.15761 18.2994 1.99463 19.1121 1.26946 -5.52514 TIMING: 4824400 CPU: 15297.8, 0.00319779/step Wall: 15297.8, 0.00319779/step, 0.155981 hours remaining, 240.867188 MB of memory in use. ENERGY: 4824400 3937.6775 20392.1849 14424.6342 273.8810 -203729.1001 2345.1141 0.0000 0.0000 51905.0171 -110450.5913 298.2988 -162355.6084 -110086.0046 297.8772 -138.2279 -101.1963 758571.6329 17.8984 18.0661 PRESSURE: 4824600 138.877 8.90774 -218.775 8.90755 -110.508 188.212 -218.776 188.212 -43.7708 GPRESSURE: 4824600 152.708 48.8413 -271.472 17.2239 -66.4706 215.31 -168.88 206.457 -12.3632 PRESSAVG: 4824600 35.1982 53.3779 -15.8079 53.3779 -31.3854 37.8668 -15.8079 37.8668 -28.6364 GPRESSAVG: 4824600 34.8654 52.288 -17.6054 52.9159 -32.39 39.8266 -14.7405 36.3669 -27.6109 TIMING: 4824600 CPU: 15298.4, 0.00314487/step Wall: 15298.4, 0.00314487/step, 0.153225 hours remaining, 240.867188 MB of memory in use. ENERGY: 4824600 3939.5265 20252.4828 14534.6791 250.0743 -203921.3966 2743.4931 0.0000 0.0000 51733.0904 -110468.0504 297.3108 -162201.1408 -110106.7618 297.4088 -5.1339 24.6248 760215.3805 -8.2745 -8.3785 PRESSURE: 4824800 -158.408 -295.684 61.507 -295.683 -67.3118 -6.76462 61.5068 -6.76483 -307.158 GPRESSURE: 4824800 -158.287 -238.923 53.4327 -296.996 -13.6481 -27.2069 54.7017 106.028 -248.799 PRESSAVG: 4824800 -31.8841 -38.0711 13.358 -38.0711 38.1131 -5.20608 13.358 -5.20608 40.7892 GPRESSAVG: 4824800 -31.8989 -35.6499 16.4783 -39.2428 39.1324 -8.95753 10.7095 -2.19636 39.6297 TIMING: 4824800 CPU: 15299, 0.0031267/step Wall: 15299, 0.0031267/step, 0.152166 hours remaining, 240.867188 MB of memory in use. ENERGY: 4824800 3947.8071 20229.0354 14460.0259 231.5634 -203561.4827 2458.4321 0.0000 0.0000 51769.5178 -110465.1011 297.5201 -162234.6188 -110099.5121 297.5921 -177.6257 -140.2446 759973.1540 15.6728 15.6211 PRESSURE: 4825000 -236.164 0.4712 -101.436 0.470408 -50.1678 151.902 -101.436 151.902 3.22815 GPRESSURE: 4825000 -125.263 -88.2011 -44.7514 109.187 -13.6532 129.336 -63.1332 150.072 -72.3769 PRESSAVG: 4825000 -3.19374 -68.1053 -9.87393 -68.1053 -16.677 -7.03967 -9.87401 -7.03956 -11.9504 GPRESSAVG: 4825000 -2.47331 -68.4766 -11.9599 -68.0593 -17.0617 -6.48384 -9.86963 -8.24618 -11.9555 TIMING: 4825000 CPU: 15299.7, 0.00313468/step Wall: 15299.7, 0.00313468/step, 0.15238 hours remaining, 240.867188 MB of memory in use. ENERGY: 4825000 3996.8928 20265.5403 14439.5738 261.2456 -203766.9869 2543.9626 0.0000 0.0000 51925.8556 -110333.9163 298.4186 -162259.7718 -109972.1109 297.4384 -94.3678 -70.4309 759116.3138 -10.6070 -10.4968 PRESSURE: 4825200 -152.664 -8.83982 6.41325 -8.8395 29.3681 32.5476 6.41231 32.5472 -77.0714 GPRESSURE: 4825200 -157.909 81.7719 -11.7274 19.0282 43.38 106.929 140.806 12.7768 -26.1877 PRESSAVG: 4825200 -29.9076 -4.03019 -35.571 -4.03017 26.8425 61.5033 -35.571 61.5034 10.6435 GPRESSAVG: 4825200 -31.5909 -3.61155 -35.8155 -5.22519 27.406 63.1852 -33.3091 61.3428 11.9352 TIMING: 4825200 CPU: 15300.3, 0.00313118/step Wall: 15300.3, 0.00313118/step, 0.152036 hours remaining, 240.867188 MB of memory in use. ENERGY: 4825200 4000.6168 20509.1186 14468.9783 262.2222 -203136.8111 2179.3598 0.0000 0.0000 51645.9510 -110070.5645 296.8100 -161716.5155 -109711.2806 297.9399 -66.7890 -46.9055 758894.8944 2.5261 2.5834 PRESSURE: 4825400 -33.3682 35.1672 -156.676 35.1666 290.339 -197.151 -156.677 -197.151 258.013 GPRESSURE: 4825400 -5.45721 44.119 -61.8802 0.592948 245.293 -146.352 -157.643 -113.406 343.601 PRESSAVG: 4825400 -42.4868 -2.5121 -40.9018 -2.51213 47.143 30.6658 -40.9018 30.6659 3.81489 GPRESSAVG: 4825400 -40.9319 -3.01304 -40.8612 -1.46772 46.1972 31.0649 -41.4503 30.1151 3.05571 TIMING: 4825400 CPU: 15300.9, 0.00312113/step Wall: 15300.9, 0.00312113/step, 0.151375 hours remaining, 240.867188 MB of memory in use. ENERGY: 4825400 3996.9397 20495.4341 14439.4239 254.7056 -203714.2504 2459.7859 0.0000 0.0000 52019.3267 -110048.6346 298.9558 -162067.9613 -109688.7363 297.9793 171.6613 194.4791 757449.1075 2.8237 2.7736 PRESSURE: 4825600 -34.6312 48.07 171.091 48.0703 488.892 23.9155 171.09 23.9157 -159.495 GPRESSURE: 4825600 98.1195 -81.1741 96.5464 144.244 420.766 27.7862 181.885 7.79305 -140.392 PRESSAVG: 4825600 -6.97 -35.3399 -43.272 -35.3398 6.06388 1.69167 -43.272 1.69164 7.01254 GPRESSAVG: 4825600 -6.75491 -36.8871 -43.902 -32.8972 6.3458 1.872 -44.4625 2.56129 6.55768 TIMING: 4825600 CPU: 15301.5, 0.0031399/step Wall: 15301.5, 0.00313989/step, 0.15211 hours remaining, 240.867188 MB of memory in use. ENERGY: 4825600 3918.4024 20500.2752 14424.5366 239.1569 -203584.1355 2499.9246 0.0000 0.0000 52026.2112 -109975.6286 298.9954 -162001.8398 -109611.7891 298.8754 98.2553 126.1643 758342.7071 2.0355 2.0495 PRESSURE: 4825800 -30.4871 -87.6507 -58.8127 -87.6508 128.097 139.954 -58.8124 139.954 353.495 GPRESSURE: 4825800 -6.97246 -89.9075 -141.711 -62.2804 158.116 228.328 85.9323 162.884 363.16 PRESSAVG: 4825800 -49.0583 -32.2659 -40.037 -32.2659 15.9558 60.7793 -40.037 60.7793 -6.76712 GPRESSAVG: 4825800 -48.4427 -30.0116 -38.8138 -34.8915 14.7802 61.5764 -39.0011 60.7521 -6.58679 TIMING: 4825800 CPU: 15302.2, 0.00313563/step Wall: 15302.2, 0.00313563/step, 0.15173 hours remaining, 240.867188 MB of memory in use. ENERGY: 4825800 3890.7741 20519.8613 14541.1982 258.8614 -203690.3844 2529.5822 0.0000 0.0000 51931.1994 -110018.9078 298.4493 -161950.1072 -109655.0795 298.1193 150.3682 171.4345 760684.8247 -13.2899 -13.4164 PRESSURE: 4826000 -232.025 -219.865 18.6698 -219.865 -150.093 168.587 18.6693 168.587 20.8317 GPRESSURE: 4826000 -184.355 -165.111 -26.2623 -194.993 -136.355 273.152 79.2314 153.877 48.6979 PRESSAVG: 4826000 10.6434 -12.7024 -11.5224 -12.7024 -1.17365 21.7518 -11.5225 21.752 2.42977 GPRESSAVG: 4826000 8.18938 -13.4706 -11.76 -13.0442 0.227787 19.9442 -11.2727 22.8617 2.46362 TIMING: 4826000 CPU: 15302.8, 0.00315595/step Wall: 15302.8, 0.00315595/step, 0.152538 hours remaining, 240.867188 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: 4826000 3983.7374 20444.2656 14482.1389 240.1615 -203718.6013 2593.5539 0.0000 0.0000 51962.7623 -110011.9818 298.6307 -161974.7441 -109654.8661 298.5301 -120.4288 -90.6704 759374.1728 3.9665 3.6269 PRESSURE: 4826200 -0.780332 276.392 -60.7103 276.392 -49.4483 147.469 -60.7108 147.469 274.57 GPRESSURE: 4826200 129.728 183.062 7.60176 256.407 11.5507 141.374 19.605 154.467 195.966 PRESSAVG: 4826200 59.9129 -4.67979 -36.6337 -4.67983 -46.0043 22.9011 -36.6338 22.901 12.4799 GPRESSAVG: 4826200 61.1646 -4.60977 -36.1709 -2.31072 -45.5423 22.3007 -36.3432 21.6676 11.6089 TIMING: 4826200 CPU: 15303.4, 0.00313762/step Wall: 15303.4, 0.00313762/step, 0.151477 hours remaining, 240.867188 MB of memory in use. ENERGY: 4826200 3952.0224 20542.7526 14384.1769 252.8847 -203655.8305 2578.9892 0.0000 0.0000 51891.1294 -110053.8752 298.2190 -161945.0047 -109694.3445 298.3509 74.7805 112.4149 760577.9358 8.7962 9.0771 PRESSURE: 4826400 152.307 -7.38013 81.6245 -7.37927 97.5017 -186.387 81.6242 -186.387 375.897 GPRESSURE: 4826400 190.458 -96.0206 133.136 -14.4193 129.473 -212.252 45.1101 -113.629 377.667 PRESSAVG: 4826400 47.0263 -24.5449 -66.5623 -24.5449 -81.1475 12.6638 -66.5622 12.6637 5.72898 GPRESSAVG: 4826400 48.2302 -24.3046 -66.7588 -25.0655 -82.4807 13.2735 -67.5553 13.2838 5.93209 TIMING: 4826400 CPU: 15304.1, 0.00314467/step Wall: 15304.1, 0.00314467/step, 0.151643 hours remaining, 240.867188 MB of memory in use. ENERGY: 4826400 3963.9545 20530.2966 14495.9810 262.1454 -203869.7184 2656.4654 0.0000 0.0000 52040.8377 -109920.0379 299.0794 -161960.8756 -109568.3158 298.6422 208.5686 232.5325 759293.4949 -9.4641 -9.4395 PRESSURE: 4826600 30.3591 -139.566 160.783 -139.566 110.6 387.101 160.783 387.101 -88.4304 GPRESSURE: 4826600 37.8794 -172.229 123.872 -181.029 171.281 404.584 89.2511 177.992 -78.7173 PRESSAVG: 4826600 36.9885 -33.0245 -9.07121 -33.0245 7.10253 14.2977 -9.07124 14.2977 -10.9328 GPRESSAVG: 4826600 35.8676 -33.1577 -8.94037 -32.8396 6.89516 14.6822 -6.63376 14.1038 -9.50399 TIMING: 4826600 CPU: 15304.7, 0.00315825/step Wall: 15304.7, 0.00315825/step, 0.152123 hours remaining, 240.867188 MB of memory in use. ENERGY: 4826600 4011.9303 20381.1914 14377.8478 235.2494 -203835.0337 2838.9605 0.0000 0.0000 51888.5751 -110101.2793 298.2044 -161989.8544 -109737.3317 298.4408 17.5096 43.4810 761545.7257 11.0527 11.0863 PRESSURE: 4826800 -222.877 76.5947 -82.5472 76.5952 311.86 -39.4942 -82.5472 -39.4935 98.8046 GPRESSURE: 4826800 -128.589 -27.5517 -105.264 56.0517 312.343 17.7088 -190.045 4.94919 107.064 PRESSAVG: 4826800 1.37516 -31.5023 -49.4015 -31.5023 20.7387 16.0989 -49.4015 16.0988 -18.1353 GPRESSAVG: 4826800 2.65074 -32.2231 -49.5085 -32.5866 20.0372 15.7955 -52.3149 17.0324 -18.7021 TIMING: 4826800 CPU: 15305.3, 0.00315562/step Wall: 15305.3, 0.00315562/step, 0.15182 hours remaining, 240.867188 MB of memory in use. ENERGY: 4826800 3883.9367 20223.4008 14472.2381 261.5964 -203592.7305 2495.1870 0.0000 0.0000 52008.0875 -110248.2840 298.8912 -162256.3715 -109895.3854 297.8546 62.5959 96.9395 759879.2536 1.3262 1.3286 PRESSURE: 4827000 256.666 -123.165 33.6281 -123.166 -239.332 -41.278 33.6283 -41.278 337.798 GPRESSURE: 4827000 196.292 -143.062 32.1953 -70.9101 -90.8024 78.1014 54.9829 -140.069 344.851 PRESSAVG: 4827000 5.74044 -6.90222 -51.6027 -6.90223 40.7754 -22.6419 -51.6026 -22.642 8.73412 GPRESSAVG: 4827000 4.67977 -6.20397 -52.7399 -5.29453 41.8209 -23.8693 -51.539 -20.7705 8.66296 TIMING: 4827000 CPU: 15305.9, 0.00315006/step Wall: 15305.9, 0.00315006/step, 0.151378 hours remaining, 240.867188 MB of memory in use. ENERGY: 4827000 3852.6956 20346.1591 14419.6499 244.5030 -203553.8939 2468.4723 0.0000 0.0000 51979.7470 -110242.6670 298.7283 -162222.4140 -109874.8136 297.5072 118.3775 150.1135 759778.3808 18.4167 18.3879 PRESSURE: 4827200 -1.41935 37.7727 138.51 37.7731 -211.9 -84.6856 138.51 -84.6854 2.33858 GPRESSURE: 4827200 102.236 -60.6593 163.488 -76.3469 -252.399 -112.422 59.2292 -85.926 27.7574 PRESSAVG: 4827200 30.3611 -19.5088 -20.5974 -19.5088 -2.57324 -24.826 -20.5974 -24.8261 -27.143 GPRESSAVG: 4827200 31.0397 -21.6468 -19.5596 -21.4161 -2.82391 -22.5773 -20.9917 -26.6143 -27.1256 TIMING: 4827200 CPU: 15306.6, 0.00314115/step Wall: 15306.6, 0.00314115/step, 0.150775 hours remaining, 240.867188 MB of memory in use. ENERGY: 4827200 4020.8340 20557.8544 14447.4155 238.7326 -203642.6520 2440.9550 0.0000 0.0000 51510.5158 -110426.3447 296.0316 -161936.8605 -110071.0866 297.5386 -70.3270 -40.8017 760004.2453 0.2149 0.3634 PRESSURE: 4827400 -40.8857 -39.9066 107.81 -39.9063 123.657 182.851 107.81 182.851 32.472 GPRESSURE: 4827400 -40.6094 31.9142 50.9636 -12.3145 191.424 194.466 106.621 202.392 43.537 PRESSAVG: 4827400 17.2216 20.468 23.6101 20.4681 -37.2286 -21.115 23.6101 -21.1151 -8.10987 GPRESSAVG: 4827400 16.6451 22.0416 24.5233 20.5049 -36.3821 -23.8758 23.0061 -22.0862 -8.30444 TIMING: 4827400 CPU: 15307.2, 0.00314804/step Wall: 15307.2, 0.00314803/step, 0.150931 hours remaining, 240.992188 MB of memory in use. ENERGY: 4827400 4066.8389 20388.3624 14496.8331 228.9101 -203999.1099 2700.9148 0.0000 0.0000 51745.3298 -110371.9208 297.3811 -162117.2506 -110008.3227 297.3415 38.4145 64.7838 760035.1126 -9.3723 -9.3471 PRESSURE: 4827600 21.7946 361.235 52.893 361.234 1.25541 233.705 52.8911 233.705 332.774 GPRESSURE: 4827600 145.55 238.868 110.241 281.132 38.9119 252.537 16.5584 174.111 259.796 PRESSAVG: 4827600 20.1243 6.88257 -21.1311 6.88255 -22.2138 -11.0671 -21.1312 -11.0671 0.0305882 GPRESSAVG: 4827600 21.9483 6.82262 -22.9116 7.80941 -23.458 -10.4886 -20.2527 -9.39894 0.0965495 TIMING: 4827600 CPU: 15307.8, 0.00313486/step Wall: 15307.8, 0.00313486/step, 0.150125 hours remaining, 240.992188 MB of memory in use. ENERGY: 4827600 3896.9273 20424.5994 14538.0724 255.2285 -203970.5747 2839.3061 0.0000 0.0000 51871.0762 -110145.3647 298.1038 -162016.4409 -109784.1075 297.3718 118.6082 148.0859 759898.9654 -0.6863 -0.4710 PRESSURE: 4827800 -47.5487 -106.872 65.1231 -106.872 -5.92288 -93.8051 65.1235 -93.8066 -260.634 GPRESSURE: 4827800 -4.81975 -78.0774 38.0895 -78.599 12.9074 -66.7474 -6.35294 -115.266 -226.181 PRESSAVG: 4827800 46.5084 2.39486 42.0079 2.39498 -0.516067 32.8157 42.0078 32.8157 -2.68356 GPRESSAVG: 4827800 44.1493 1.2937 41.6812 1.59226 0.598186 32.9597 43.6458 32.3129 -1.64823 TIMING: 4827800 CPU: 15308.5, 0.0031657/step Wall: 15308.5, 0.0031657/step, 0.151426 hours remaining, 240.992188 MB of memory in use. ENERGY: 4827800 4016.9502 20244.6985 14512.6583 254.2903 -203612.2403 2671.9014 0.0000 0.0000 51891.9161 -110019.8254 298.2236 -161911.7416 -109652.4194 297.8420 -104.7017 -72.6978 758801.5934 14.4363 14.3664 PRESSURE: 4828000 51.6044 -2.09671 -0.708402 -2.09819 -24.493 -47.8759 -0.709025 -47.8763 365.342 GPRESSURE: 4828000 58.4474 -29.2351 28.4506 34.5373 30.0637 -9.34328 -26.0351 -151.577 397.132 PRESSAVG: 4828000 -24.3665 -4.57334 7.29775 -4.57333 2.93823 -25.39 7.29773 -25.39 21.0461 GPRESSAVG: 4828000 -24.0468 -3.8092 7.33881 -3.48562 3.03049 -25.1427 8.79288 -25.2632 20.6593 TIMING: 4828000 CPU: 15309.1, 0.00317533/step Wall: 15309.1, 0.00317533/step, 0.15171 hours remaining, 240.992188 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: 4828000 4012.1362 20391.6707 14461.4574 243.6008 -203753.3166 2787.6368 0.0000 0.0000 51875.8623 -109980.9523 298.1313 -161856.8146 -109620.7160 298.0997 130.8176 161.8810 761950.9886 -0.1274 -0.1190 PRESSURE: 4828200 -61.3975 3.10443 143.009 3.10423 -346.673 -148.354 143.009 -148.355 161.247 GPRESSURE: 4828200 -61.9247 -14.5156 118.78 102.256 -235.468 -199.719 265.502 -205.786 121.375 PRESSAVG: 4828200 -7.33092 6.16613 40.7053 6.16616 21.6094 11.5515 40.7053 11.5515 -1.08956 GPRESSAVG: 4828200 -7.09566 7.82575 41.515 3.99372 22.8544 11.849 37.395 11.27 -1.85869 TIMING: 4828200 CPU: 15309.7, 0.00318435/step Wall: 15309.7, 0.00318435/step, 0.151964 hours remaining, 240.992188 MB of memory in use. ENERGY: 4828200 3978.1085 20441.3551 14441.8742 229.1275 -203681.4521 2513.4948 0.0000 0.0000 52039.4879 -110038.0041 299.0717 -162077.4919 -109680.0556 298.2531 -82.2743 -58.6724 759651.3300 4.3963 4.6333 LDB: ============= START OF LOAD BALANCING ============== 15322.2 LDB: ============== END OF LOAD BALANCING =============== 15322.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15322.2 LDB: ============= START OF LOAD BALANCING ============== 15322.5 LDB: Largest compute 7069 load 0.034655 is 17.7% of average load 0.195526 LDB: Average compute 0.004373 is 2.2% of average load 0.195526 LDB: TIME 15322.5 LOAD: AVG 0.195526 MAX 0.215748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15322.5 LOAD: AVG 0.195526 MAX 0.215748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 15322.5 LOAD: AVG 0.195526 MAX 0.215748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 15322.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15322.5 PRESSURE: 4828400 -184.604 80.9429 117.684 80.9429 89.2844 12.7308 117.686 12.7317 -70.6396 GPRESSURE: 4828400 -194.293 145.569 143.242 73.8566 136.893 3.08995 124.911 96.1727 -12.537 PRESSAVG: 4828400 -8.34534 16.165 18.5058 16.165 -0.692043 -17.6857 18.5059 -17.6856 -6.73013 GPRESSAVG: 4828400 -7.56538 13.239 16.9364 18.1528 -2.54567 -18.4037 21.3906 -17.6549 -5.54049 TIMING: 4828400 CPU: 15310.4, 0.00322415/step Wall: 15310.4, 0.00322415/step, 0.153684 hours remaining, 238.812500 MB of memory in use. ENERGY: 4828400 3900.9773 20431.8568 14455.4284 238.0403 -203610.8958 2596.4589 0.0000 0.0000 52023.3552 -109964.7788 298.9789 -161988.1340 -109604.1981 298.3400 -55.3197 -23.3124 762185.2644 -5.2558 -5.2172 PRESSURE: 4828600 94.8017 -218.038 63.2217 -218.037 -112.547 79.661 63.2225 79.6618 230.163 GPRESSURE: 4828600 95.1945 -132.661 -51.6694 -104.062 -51.6271 46.3419 -24.6352 4.44706 269.496 PRESSAVG: 4828600 -55.0597 -47.6568 24.3714 -47.6568 36.5631 18.1472 24.3713 18.1472 -0.0557918 GPRESSAVG: 4828600 -55.2517 -45.1926 23.7555 -48.0124 37.3293 18.0235 23.3636 17.9969 -0.629185 TIMING: 4828600 CPU: 15311, 0.00315964/step Wall: 15311, 0.00315964/step, 0.150434 hours remaining, 238.812500 MB of memory in use. ENERGY: 4828600 3954.9199 20273.4241 14451.7170 245.0617 -203594.5277 2735.5068 0.0000 0.0000 51763.3988 -110170.4994 297.4850 -161933.8981 -109815.0749 297.9874 70.8058 104.3544 760358.2107 -6.1841 -6.1839 PRESSURE: 4828800 425.235 14.2485 -33.8935 14.2489 74.5084 -101.438 -33.8933 -101.438 416.104 GPRESSURE: 4828800 446.668 147.026 -78.7952 -41.8237 188.188 -20.2258 73.7836 -19.2484 364.164 PRESSAVG: 4828800 58.687 -14.4618 -28.0976 -14.4618 6.26905 20.5324 -28.0975 20.5324 -3.29972 GPRESSAVG: 4828800 59.6782 -14.8464 -27.4256 -13.4446 6.39075 23.3769 -28.3019 19.8527 -3.4714 TIMING: 4828800 CPU: 15311.6, 0.00315939/step Wall: 15311.6, 0.00315939/step, 0.150247 hours remaining, 238.812500 MB of memory in use. ENERGY: 4828800 3992.3723 20336.3548 14468.4742 232.9467 -203766.4554 2832.4805 0.0000 0.0000 51787.4182 -110116.4086 297.6230 -161903.8268 -109771.5814 298.2477 305.2825 333.0065 759120.7236 20.5521 20.8659 PRESSURE: 4829000 276.918 84.9854 361.588 84.9851 95.7331 -40.5028 361.587 -40.5021 94.7687 GPRESSURE: 4829000 346.966 117.361 294.333 -48.6365 79.2161 -37.0156 272.336 -38.4299 112.464 PRESSAVG: 4829000 -7.26002 -13.3076 12.6416 -13.3078 -51.9592 -1.38321 12.6416 -1.38322 4.45314 GPRESSAVG: 4829000 -8.00072 -14.0496 13.2942 -14.3465 -52.0214 -2.8039 12.4952 -0.646478 5.03347 TIMING: 4829000 CPU: 15312.3, 0.00314079/step Wall: 15312.3, 0.00314079/step, 0.149187 hours remaining, 238.812500 MB of memory in use. ENERGY: 4829000 3999.6180 20427.9520 14385.2980 226.5380 -203329.1817 2506.3647 0.0000 0.0000 51587.9386 -110195.4725 296.4766 -161783.4111 -109858.9549 297.9572 155.8067 179.5487 760333.3611 -18.2554 -18.3295 PRESSURE: 4829200 79.2285 131.186 161.215 131.186 49.9509 -44.3641 161.215 -44.3649 -19.7973 GPRESSURE: 4829200 4.91279 242.883 179.272 76.6868 87.2393 -150.134 143.703 -46.7878 92.6494 PRESSAVG: 4829200 -13.484 51.6363 42.5749 51.6362 -29.057 -18.1472 42.575 -18.1472 0.691521 GPRESSAVG: 4829200 -13.2818 52.284 40.6516 52.375 -28.6166 -17.1165 43.1064 -17.5852 0.239686 TIMING: 4829200 CPU: 15312.9, 0.00312593/step Wall: 15312.9, 0.00312593/step, 0.148308 hours remaining, 238.812500 MB of memory in use. ENERGY: 4829200 3965.8968 20478.4499 14442.6208 240.8743 -203907.7489 2746.4099 0.0000 0.0000 51682.1535 -110351.3437 297.0180 -162033.4972 -109995.2944 297.6285 36.4607 61.6005 759799.6548 -13.9498 -13.8863 PRESSURE: 4829400 137.023 -191.842 -108.05 -191.842 150.674 266.676 -108.051 266.676 -3.72793 GPRESSURE: 4829400 156.221 -201.486 -34.0716 -270.074 208.877 214.901 -148.109 185.684 15.0068 PRESSAVG: 4829400 -11.685 -1.2441 -55.4452 -1.24407 28.7904 23.7273 -55.4452 23.7272 -18.6091 GPRESSAVG: 4829400 -11.0705 -0.512895 -52.3955 -1.35644 26.9066 23.5567 -58.7565 21.4196 -17.1908 TIMING: 4829400 CPU: 15313.5, 0.00313857/step Wall: 15313.5, 0.00313857/step, 0.148734 hours remaining, 238.812500 MB of memory in use. ENERGY: 4829400 3937.9879 20447.6082 14425.1994 234.5551 -203669.1905 2502.8491 0.0000 0.0000 51778.6754 -110342.3153 297.5728 -162120.9907 -109986.7865 297.6760 94.6564 126.7014 758184.0070 -0.5012 -0.4515 PRESSURE: 4829600 -233.747 -110.995 158.252 -110.995 -155.604 178.325 158.253 178.324 -109.839 GPRESSURE: 4829600 -266.947 -76.0885 122.536 -9.16683 -123.965 169.756 178.337 125.785 -30.6495 PRESSAVG: 4829600 -23.4528 -54.9454 -17.0306 -54.9453 4.97429 10.1302 -17.0306 10.1303 6.48664 GPRESSAVG: 4829600 -23.6457 -56.691 -17.4946 -53.0448 5.28193 10.9502 -15.857 11.4192 6.33799 TIMING: 4829600 CPU: 15314.2, 0.00314778/step Wall: 15314.2, 0.00314778/step, 0.148995 hours remaining, 238.812500 MB of memory in use. ENERGY: 4829600 4005.0062 20503.5155 14350.8061 251.4587 -203598.7568 2435.0573 0.0000 0.0000 51792.5354 -110260.3775 297.6524 -162052.9129 -109901.9840 297.5885 -166.3967 -140.5204 760319.6832 -3.9973 -4.0086 PRESSURE: 4829800 -162.649 -123.516 -157.711 -123.516 -198.859 280.227 -157.712 280.226 35.5201 GPRESSURE: 4829800 -142.822 -46.2448 -118.798 -117.026 -159.73 162.928 -131.949 144.734 78.0375 PRESSAVG: 4829800 -16.9495 -37.7683 8.37384 -37.7683 -17.1333 2.15235 8.37386 2.15231 -22.1499 GPRESSAVG: 4829800 -16.6709 -36.4863 7.96332 -38.9954 -15.4689 -0.468075 8.42257 2.38339 -23.5113 TIMING: 4829800 CPU: 15314.8, 0.00316084/step Wall: 15314.8, 0.00316084/step, 0.149438 hours remaining, 238.812500 MB of memory in use. ENERGY: 4829800 3988.6471 20322.1447 14451.9433 277.8424 -203842.1858 2568.3396 0.0000 0.0000 51840.6090 -110392.6596 297.9287 -162233.2686 -110029.7160 297.2802 -108.6626 -74.8381 759796.2679 -18.7442 -18.5504 PRESSURE: 4830000 -372.668 -100.292 251.333 -100.293 106.44 -183.401 251.333 -183.402 133.715 GPRESSURE: 4830000 -340.847 -123.664 220.858 -66.4898 185.24 -176.203 201.921 -272.952 101.192 PRESSAVG: 4830000 -97.8622 -7.19266 -16.4318 -7.19272 52.3058 -33.0788 -16.4319 -33.0788 27.5138 GPRESSAVG: 4830000 -98.3104 -9.71332 -16.7456 -5.69535 52.7448 -30.9637 -14.5452 -31.7283 27.1838 TIMING: 4830000 CPU: 15315.4, 0.00317669/step Wall: 15315.4, 0.00317669/step, 0.15001 hours remaining, 238.812500 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: 4830000 3956.5982 20297.7235 14436.4889 263.5749 -203699.1609 2354.6867 0.0000 0.0000 51940.5827 -110449.5061 298.5032 -162390.0888 -110080.4249 297.8462 -44.1711 -18.1383 759431.4465 -6.0142 -6.1273 PRESSURE: 4830200 119.228 -298.147 135.391 -298.147 -43.4443 2.11533 135.391 2.11424 76.4708 GPRESSURE: 4830200 219.159 -321.118 199.076 -219.187 -88.8935 -47.6953 77.8971 30.3114 84.1783 PRESSAVG: 4830200 11.7771 -94.5986 24.4954 -94.5986 -8.2135 40.0691 24.4953 40.0692 26.7662 GPRESSAVG: 4830200 11.1398 -91.6564 22.3632 -95.5932 -9.34605 39.8666 22.7166 38.0559 28.4501 TIMING: 4830200 CPU: 15316.1, 0.00316688/step Wall: 15316.1, 0.00316688/step, 0.149371 hours remaining, 238.812500 MB of memory in use. ENERGY: 4830200 3943.4671 20453.3203 14416.8913 235.3490 -203686.6362 2528.2235 0.0000 0.0000 51824.4621 -110284.9230 297.8359 -162109.3850 -109920.5438 297.8257 50.7514 71.4813 760203.2996 10.1099 10.0813 PRESSURE: 4830400 10.7287 -87.7033 143.118 -87.7033 73.6404 61.4688 143.119 61.4694 11.0977 GPRESSURE: 4830400 -28.4158 -38.9621 121.417 -138.658 111.042 21.4966 103.164 -51.2344 92.7969 PRESSAVG: 4830400 -15.7608 -39.0051 -10.2564 -39.0051 14.7612 1.12935 -10.2564 1.12943 -0.649706 GPRESSAVG: 4830400 -14.4974 -39.9058 -9.97295 -39.0124 14.9968 0.754649 -9.3952 3.35392 -1.51778 TIMING: 4830400 CPU: 15316.7, 0.00315759/step Wall: 15316.7, 0.00315759/step, 0.148758 hours remaining, 238.812500 MB of memory in use. ENERGY: 4830400 3947.9102 20403.5985 14466.4872 251.1252 -204027.8729 2660.8923 0.0000 0.0000 52004.1952 -110293.6642 298.8688 -162297.8595 -109926.2763 298.0061 31.8223 58.4743 759757.6293 -0.5498 -0.3395 PRESSURE: 4830600 138.358 -81.6176 105.368 -81.6182 470.965 -31.443 105.368 -31.4423 250.461 GPRESSURE: 4830600 245.37 -16.5648 78.7772 -42.5432 488.568 -86.3623 229.005 -57.8193 206.396 PRESSAVG: 4830600 -6.52953 26.4019 11.0579 26.4019 -11.4326 23.5923 11.0579 23.5922 -6.59265 GPRESSAVG: 4830600 -5.91942 26.1076 13.8382 26.9808 -11.6466 23.3358 11.0901 22.6351 -7.32162 TIMING: 4830600 CPU: 15317.3, 0.00317274/step Wall: 15317.3, 0.00317274/step, 0.149295 hours remaining, 238.812500 MB of memory in use. ENERGY: 4830600 3950.3668 20518.0691 14413.8648 252.0054 -203817.4255 2770.2009 0.0000 0.0000 52041.4945 -109871.4240 299.0832 -161912.9185 -109509.6968 298.6125 286.5946 313.4448 760099.6111 -8.1849 -8.2959 PRESSURE: 4830800 -162.405 132.24 80.4137 132.241 -54.3859 -85.5411 80.4134 -85.5411 118.722 GPRESSURE: 4830800 -154.752 321.794 12.707 55.4924 37.8284 -34.3847 142.65 -142.128 79.6306 PRESSAVG: 4830800 15.726 -23.1885 -2.28213 -23.1884 31.2229 -7.13313 -2.28222 -7.1331 3.49664 GPRESSAVG: 4830800 14.6267 -22.796 -2.59786 -26.8196 31.8359 -7.47701 -2.70408 -8.85945 4.22695 TIMING: 4830800 CPU: 15318, 0.00315597/step Wall: 15318, 0.00315597/step, 0.148331 hours remaining, 238.812500 MB of memory in use. ENERGY: 4830800 3990.0933 20377.0962 14486.5152 267.9174 -203869.6692 2700.1816 0.0000 0.0000 52009.7580 -110038.1076 298.9008 -162047.8656 -109667.8776 298.7582 -32.6898 -12.4310 759721.9009 16.8152 16.8965 PRESSURE: 4831000 -153.377 -72.7985 55.0176 -72.799 -36.1141 -0.078701 55.017 -0.0783937 -298.553 GPRESSURE: 4831000 -33.0771 -43.1908 100.338 -105.44 17.039 -24.7481 34.4075 -42.6312 -384.738 PRESSAVG: 4831000 -42.357 -36.822 4.2032 -36.822 17.0565 -27.8045 4.20324 -27.8044 -5.09907 GPRESSAVG: 4831000 -41.4636 -36.7896 3.8016 -35.2001 16.9902 -27.4296 4.15535 -26.3236 -6.30351 TIMING: 4831000 CPU: 15318.6, 0.00314898/step Wall: 15318.6, 0.00314898/step, 0.147827 hours remaining, 238.812500 MB of memory in use. ENERGY: 4831000 4095.4588 20297.0068 14526.8126 245.6976 -203491.7055 2346.5924 0.0000 0.0000 51886.3933 -110093.7441 298.1918 -161980.1374 -109726.3853 298.0052 -162.6814 -133.5920 760423.2492 -10.1332 -10.2590 PRESSURE: 4831200 47.1002 315.242 185.432 315.243 -52.2798 -7.99599 185.431 -7.99556 220.135 GPRESSURE: 4831200 113.724 203.632 118.231 218.701 -86.0278 9.35738 162.037 -91.7134 254.845 PRESSAVG: 4831200 40.0554 40.5725 5.44753 40.5725 -23.1408 14.1171 5.44743 14.1171 29.8076 GPRESSAVG: 4831200 39.5049 39.7769 4.19216 40.5602 -23.3384 15.414 4.77133 13.4709 30.4014 TIMING: 4831200 CPU: 15319.2, 0.00315402/step Wall: 15319.2, 0.00315402/step, 0.147889 hours remaining, 238.812500 MB of memory in use. ENERGY: 4831200 3980.4528 20508.2794 14465.8245 255.9467 -203831.4318 2488.0375 0.0000 0.0000 51896.2810 -110236.6100 298.2486 -162132.8911 -109868.8105 298.0712 71.6519 94.1806 758475.0129 15.5741 15.5226 PRESSURE: 4831400 27.733 134.826 58.6768 134.825 -329.792 -68.4436 58.6767 -68.4443 -286.217 GPRESSURE: 4831400 -31.8175 195.997 -19.1577 154.302 -271.992 -37.6101 96.8726 10.4517 -205.092 PRESSAVG: 4831400 -11.3643 0.315829 -57.0408 0.315817 -16.3623 2.41272 -57.0408 2.41272 -15.0651 GPRESSAVG: 4831400 -12.5776 0.53729 -55.3725 -0.332213 -15.1296 0.482699 -57.4486 1.55124 -15.2529 TIMING: 4831400 CPU: 15319.8, 0.00315556/step Wall: 15319.8, 0.00315556/step, 0.147785 hours remaining, 238.812500 MB of memory in use. ENERGY: 4831400 4025.6477 20603.7627 14422.4931 250.5207 -203858.6104 2300.3386 0.0000 0.0000 51798.5046 -110457.3431 297.6867 -162255.8477 -110101.7714 297.7963 -196.0920 -169.6340 758985.4063 -14.2639 -14.3200 PRESSURE: 4831600 -210.663 -101.836 -62.3959 -101.836 -6.32853 -79.8916 -62.3957 -79.8917 -71.6296 GPRESSURE: 4831600 -150.518 -194.362 -17.3428 -6.81348 -5.37009 -129.462 -45.1204 14.6911 -50.3968 PRESSAVG: 4831600 0.0442694 -25.773 -7.41479 -25.773 25.4316 19.3667 -7.4148 19.3667 5.48717 GPRESSAVG: 4831600 1.13259 -23.6299 -9.23399 -24.9558 24.84 20.7255 -6.45548 21.6004 5.26525 TIMING: 4831600 CPU: 15320.5, 0.00314716/step Wall: 15320.5, 0.00314716/step, 0.147217 hours remaining, 238.812500 MB of memory in use. ENERGY: 4831600 4052.4423 20569.4085 14534.4474 231.2327 -204247.6189 2521.4970 0.0000 0.0000 52104.2146 -110234.3764 299.4436 -162338.5911 -109866.2845 298.2133 -96.2069 -68.7616 757276.0492 10.3210 10.4126 PRESSURE: 4831800 -422.928 122.294 -72.7375 122.294 -375.123 -121.818 -72.7374 -121.819 -110.96 GPRESSURE: 4831800 -438.202 84.4627 3.09506 48.9724 -344.07 -110.985 -142.243 -153.307 -42.7871 PRESSAVG: 4831800 73.4044 -34.4136 -40.4365 -34.4135 -3.88392 -30.8599 -40.4365 -30.86 10.5661 GPRESSAVG: 4831800 72.1071 -36.9916 -39.4682 -32.5488 -3.16415 -31.9515 -41.8328 -32.0247 11.1787 TIMING: 4831800 CPU: 15321.1, 0.00314398/step Wall: 15321.1, 0.00314398/step, 0.146894 hours remaining, 238.812500 MB of memory in use. ENERGY: 4831800 4071.0155 20507.6830 14495.3361 244.7709 -203976.6548 2526.6406 0.0000 0.0000 51971.0629 -110160.1457 298.6784 -162131.2086 -109796.8111 298.2243 -303.0039 -275.0198 759187.9214 26.6955 26.7072 PRESSURE: 4832000 -158.974 -50.9418 94.6229 -50.9409 -518.149 220.889 94.6228 220.89 181.847 GPRESSURE: 4832000 -124.9 -157.089 88.6855 -31.8255 -451.199 176.892 -0.835938 260.917 172.742 PRESSAVG: 4832000 18.8826 -57.1674 28.3535 -57.1675 -22.3511 -40.1111 28.3536 -40.1112 -6.90456 GPRESSAVG: 4832000 19.715 -56.776 27.0961 -58.8622 -23.397 -39.5603 29.8181 -40.5918 -7.19868 TIMING: 4832000 CPU: 15321.7, 0.00314594/step Wall: 15321.7, 0.00314594/step, 0.146811 hours remaining, 238.812500 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: 4832000 4036.6253 20511.0637 14535.2099 244.5313 -203651.6687 2356.0863 0.0000 0.0000 51732.1167 -110236.0356 297.3052 -161968.1523 -109872.5833 298.3003 -165.0921 -134.4523 760080.6247 -3.4577 -3.6269 PRESSURE: 4832200 -708.204 -117.503 71.9017 -117.504 -257.879 39.6228 71.9019 39.6224 -131.085 GPRESSURE: 4832200 -632.808 -73.926 101.771 -86.5971 -284.553 89.5456 39.0141 124.011 -84.6634 PRESSAVG: 4832200 -6.29842 -13.8488 -28.047 -13.8487 41.8961 54.5459 -28.0469 54.5459 13.6375 GPRESSAVG: 4832200 -7.11472 -14.6074 -28.6419 -13.5759 42.0429 56.6694 -28.3752 53.547 14.0193 TIMING: 4832200 CPU: 15322.4, 0.00314952/step Wall: 15322.4, 0.00314952/step, 0.146802 hours remaining, 238.812500 MB of memory in use. ENERGY: 4832200 4013.5161 20523.3464 14597.6770 235.2565 -203698.0998 2193.0275 0.0000 0.0000 51807.5633 -110327.7131 297.7388 -162135.2764 -109959.6681 298.0877 -365.7225 -334.0082 759357.3917 16.4117 16.3158 LDB: ============= START OF LOAD BALANCING ============== 15334.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15334.8 LDB: =============== DONE WITH MIGRATION ================ 15334.8 LDB: ============= START OF LOAD BALANCING ============== 15335.1 LDB: Largest compute 7068 load 0.035595 is 18.2% of average load 0.195584 LDB: Average compute 0.004388 is 2.2% of average load 0.195584 LDB: TIME 15335.1 LOAD: AVG 0.195584 MAX 0.216236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 15335.1 LOAD: AVG 0.195584 MAX 0.216236 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 15335.1 LOAD: AVG 0.195584 MAX 0.216236 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 15335.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15335.1 PRESSURE: 4832400 -134.942 21.838 51.4188 21.8378 -92.6211 119.093 51.4183 119.093 244.736 GPRESSURE: 4832400 -97.6084 117.398 25.5583 -25.8946 -61.5168 195.33 64.8436 -129.465 245.553 PRESSAVG: 4832400 -36.8613 -44.2283 -7.32734 -44.2283 61.4948 1.51775 -7.32737 1.51779 -11.2917 GPRESSAVG: 4832400 -35.8632 -44.7851 -5.61105 -44.03 60.9532 0.41741 -8.34111 1.90474 -11.2984 TIMING: 4832400 CPU: 15323, 0.00320905/step Wall: 15323, 0.00320905/step, 0.149399 hours remaining, 240.550781 MB of memory in use. ENERGY: 4832400 3989.6992 20381.8287 14514.9296 268.6976 -203625.8971 2372.4704 0.0000 0.0000 51841.3797 -110256.8919 297.9331 -162098.2716 -109896.4184 298.2949 5.7243 28.8093 757825.3779 4.4473 4.5972 PRESSURE: 4832600 83.7663 -30.9915 -21.3729 -30.9914 -27.8464 99.791 -21.3726 99.7905 251.997 GPRESSURE: 4832600 -45.2304 -85.1053 -2.22535 -65.656 185.16 112.079 52.0831 95.5584 255.753 PRESSAVG: 4832600 -15.8957 -54.2225 -29.8709 -54.2225 14.2562 78.4055 -29.8709 78.4055 29.1784 GPRESSAVG: 4832600 -15.8328 -52.0227 -29.9493 -53.0799 14.1715 77.3063 -30.1301 81.8326 28.977 TIMING: 4832600 CPU: 15323.6, 0.00313754/step Wall: 15323.6, 0.00313754/step, 0.145896 hours remaining, 240.550781 MB of memory in use. ENERGY: 4832600 3986.7689 20552.1946 14543.1231 257.3878 -203800.6254 2511.8789 0.0000 0.0000 51955.7288 -109993.5434 298.5903 -161949.2722 -109639.2881 298.5780 102.6390 131.8940 760182.1205 9.1797 9.1052 PRESSURE: 4832800 -176.88 -85.662 -276.568 -85.6625 -352.202 67.0446 -276.568 67.0457 -717.564 GPRESSURE: 4832800 -30.3228 2.55446 -354.953 -33.8674 -423.758 0.524794 -220.444 75.5597 -706.542 PRESSAVG: 4832800 -27.8012 -67.726 -22.7013 -67.726 -37.844 16.7985 -22.7013 16.7985 -3.28625 GPRESSAVG: 4832800 -27.5318 -67.2888 -22.2831 -67.2205 -37.5328 16.6138 -21.5716 14.4696 -3.74426 TIMING: 4832800 CPU: 15324.3, 0.00313696/step Wall: 15324.3, 0.00313696/step, 0.145694 hours remaining, 240.550781 MB of memory in use. ENERGY: 4832800 3996.3015 20541.4571 14527.6969 260.8656 -203816.1840 2389.6596 0.0000 0.0000 52167.2586 -109932.9446 299.8060 -162100.2032 -109565.6559 298.5140 -415.5486 -386.8745 760437.4320 -22.9772 -22.9363 PRESSURE: 4833000 58.4451 -149.61 30.794 -149.609 0.875199 -103.59 30.7943 -103.59 154.462 GPRESSURE: 4833000 87.5306 -282.117 24.9694 -57.4416 109.661 -88.9869 124.523 -44.3159 102.05 PRESSAVG: 4833000 27.4586 -44.5374 -4.66196 -44.5374 -6.26916 9.91908 -4.66192 9.919 13.9104 GPRESSAVG: 4833000 27.5278 -47.5314 -3.95844 -43.9029 -6.16875 9.47931 -6.57653 10.2647 14.0626 TIMING: 4833000 CPU: 15324.9, 0.00315142/step Wall: 15324.9, 0.00315142/step, 0.146191 hours remaining, 240.550781 MB of memory in use. ENERGY: 4833000 3906.0573 20383.1035 14462.3729 245.7142 -203940.1573 2761.6775 0.0000 0.0000 52301.0400 -109880.1919 300.5748 -162181.2319 -109513.6010 298.9409 71.2607 99.7471 757692.2400 11.6999 11.8072 PRESSURE: 4833200 141.554 226.177 241.934 226.177 98.4993 14.4834 241.934 14.4827 536.874 GPRESSURE: 4833200 67.3399 275.076 267.822 221.415 186.931 43.8618 126.726 -47.1041 602.345 PRESSAVG: 4833200 45.0999 -23.4409 -33.0735 -23.4409 -27.8384 16.4937 -33.0735 16.4937 -0.0137498 GPRESSAVG: 4833200 44.3161 -21.4508 -33.7607 -24.1872 -28.2041 15.921 -32.8356 17.0289 0.197385 TIMING: 4833200 CPU: 15325.5, 0.00316811/step Wall: 15325.5, 0.00316811/step, 0.146789 hours remaining, 240.550781 MB of memory in use. ENERGY: 4833200 3932.4123 20526.7663 14500.6746 228.6059 -203357.1455 2568.0658 0.0000 0.0000 51863.8001 -109736.8205 298.0620 -161600.6206 -109373.3946 299.2849 258.9756 285.5388 758420.1389 5.7492 5.4365 PRESSURE: 4833400 -228.68 -124.617 129.864 -124.617 74.9666 -55.105 129.866 -55.1065 153.675 GPRESSURE: 4833400 -119.702 -54.8208 146.227 -137.789 29.6135 -34.1973 98.7434 -124.783 163.332 PRESSAVG: 4833400 -13.8467 -40.0216 3.20701 -40.0216 11.157 68.547 3.20709 68.5469 -12.3009 GPRESSAVG: 4833400 -13.4918 -39.1731 2.6461 -41.171 10.2609 70.8189 4.87545 67.8769 -11.3658 TIMING: 4833400 CPU: 15326.2, 0.00315929/step Wall: 15326.2, 0.00315929/step, 0.146205 hours remaining, 240.550781 MB of memory in use. ENERGY: 4833400 3952.7728 20533.2116 14511.0060 243.7575 -203225.4305 2217.1736 0.0000 0.0000 51989.5530 -109777.9559 298.7847 -161767.5089 -109421.0636 299.1503 -0.0129 24.4147 758844.5475 -4.9969 -4.8656 PRESSURE: 4833600 -21.5371 82.8299 34.5274 82.8304 -205.534 -85.1843 34.5261 -85.1849 258.844 GPRESSURE: 4833600 54.8245 27.9849 -31.8701 94.8564 -164.6 -36.823 54.6387 8.03737 218.476 PRESSAVG: 4833600 49.8035 23.7348 -32.4481 23.7347 -46.9615 0.930903 -32.4481 0.930959 -18.2679 GPRESSAVG: 4833600 49.7282 23.6047 -33.5472 21.0558 -45.51 -2.71849 -33.9261 0.551273 -20.1369 TIMING: 4833600 CPU: 15326.8, 0.00315356/step Wall: 15326.8, 0.00315356/step, 0.145765 hours remaining, 240.550781 MB of memory in use. ENERGY: 4833600 3977.4525 20515.8974 14403.5370 252.3304 -203507.3931 2405.4999 0.0000 0.0000 52111.2240 -109841.4518 299.4839 -161952.6758 -109487.5503 298.8297 10.5907 36.2336 760272.6581 -5.1420 -5.3062 PRESSURE: 4833800 231.907 15.3928 90.6961 15.3936 202.719 -75.1215 90.6966 -75.1228 -298.37 GPRESSURE: 4833800 313.43 145.487 127.207 -28.5885 195.92 -99.4416 67.4963 -49.8836 -274.268 PRESSAVG: 4833800 43.7825 -52.7901 -37.4029 -52.7901 -15.4077 14.4513 -37.4029 14.4514 5.09256 GPRESSAVG: 4833800 43.561 -53.5878 -36.2924 -49.7623 -15.2333 16.7257 -37.0682 15.2441 5.64781 TIMING: 4833800 CPU: 15327.4, 0.00314485/step Wall: 15327.4, 0.00314485/step, 0.145187 hours remaining, 240.550781 MB of memory in use. ENERGY: 4833800 4025.1738 20461.5212 14454.0115 249.6380 -203807.2256 2644.8124 0.0000 0.0000 52143.8517 -109828.2169 299.6714 -161972.0686 -109462.5441 298.7938 45.4186 78.3607 760692.3153 11.1558 11.3252 PRESSURE: 4834000 85.0526 58.8238 110.551 58.8235 -39.2025 -4.55848 110.551 -4.55803 136.846 GPRESSURE: 4834000 102.163 -2.38019 46.3201 22.4538 68.1254 -51.7804 69.8135 -47.5805 97.8289 PRESSAVG: 4834000 28.4118 -27.3852 -3.18627 -27.3852 -18.3016 -1.92475 -3.18622 -1.92467 0.790109 GPRESSAVG: 4834000 27.1808 -29.9193 -2.86033 -27.805 -18.0865 -2.36053 -5.33823 -1.37437 1.40734 TIMING: 4834000 CPU: 15328, 0.00314985/step Wall: 15328, 0.00314985/step, 0.145243 hours remaining, 240.550781 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: 4834000 3884.2399 20529.4798 14432.6760 252.6545 -203807.3156 2913.5829 0.0000 0.0000 51845.0651 -109949.6174 297.9543 -161794.6825 -109589.2128 298.7529 60.8986 89.3725 759650.5815 3.6334 3.5005 PRESSURE: 4834200 -351.068 -180.177 -97.2465 -180.177 -227.398 -183.3 -97.2476 -183.3 -62.3719 GPRESSURE: 4834200 -330.699 -220.867 -52.6617 -207.675 -181.973 -195.175 -83.0605 -291.175 -51.5327 PRESSAVG: 4834200 4.15476 19.6686 -6.98838 19.6685 -0.475287 -17.3839 -6.9884 -17.3837 -5.84983 GPRESSAVG: 4834200 6.09167 21.7459 -8.90972 22.5224 -3.0162 -16.2765 -3.82067 -17.4362 -5.61873 TIMING: 4834200 CPU: 15328.7, 0.00314126/step Wall: 15328.7, 0.00314126/step, 0.144673 hours remaining, 240.550781 MB of memory in use. ENERGY: 4834200 3933.0626 20480.7161 14504.4749 258.5468 -203643.2567 2304.3814 0.0000 0.0000 52058.1879 -110103.8870 299.1791 -162162.0749 -109747.9835 297.8232 -213.6128 -188.0680 759372.8512 -0.7235 -0.8478 PRESSURE: 4834400 1.46412 -67.4511 10.7519 -67.4512 12.7487 89.2809 10.7506 89.2797 -263.462 GPRESSURE: 4834400 96.4067 -46.2471 124.063 -91.5669 23.0934 77.6133 -85.8741 191.446 -308.783 PRESSAVG: 4834400 -12.6721 -45.9488 -4.032 -45.9488 -1.64489 -3.91548 -4.03203 -3.91546 20.4478 GPRESSAVG: 4834400 -13.4695 -43.5438 -2.03313 -50.1196 -0.24019 -5.40155 -4.48655 -3.35299 20.1174 TIMING: 4834400 CPU: 15329.3, 0.0031461/step Wall: 15329.3, 0.0031461/step, 0.144721 hours remaining, 240.550781 MB of memory in use. ENERGY: 4834400 3972.2874 20651.2311 14570.3226 276.9609 -204034.7717 2607.6648 0.0000 0.0000 52184.8460 -109771.4589 299.9070 -161956.3049 -109414.1616 298.7274 -83.0829 -63.0943 758253.7143 2.0436 2.1359 PRESSURE: 4834600 95.1167 -50.3152 37.5396 -50.316 86.8585 -30.4524 37.5395 -30.452 -22.0363 GPRESSURE: 4834600 205.588 -187.321 128.472 166.198 31.4259 -59.3792 15.9309 -77.0333 -4.0796 PRESSAVG: 4834600 44.3042 -46.7112 3.98299 -46.7112 -33.5287 2.06816 3.98302 2.06814 -2.93504 GPRESSAVG: 4834600 44.7817 -49.2646 3.16053 -47.2773 -33.4247 2.9275 4.65075 -0.175342 -3.597 TIMING: 4834600 CPU: 15329.9, 0.00314793/step Wall: 15329.9, 0.00314793/step, 0.14463 hours remaining, 240.550781 MB of memory in use. ENERGY: 4834600 3959.0425 20628.3304 14434.2293 238.5579 -203414.6244 2432.2635 0.0000 0.0000 52034.0280 -109688.1728 299.0403 -161722.2009 -109321.7502 299.4333 53.3130 77.6447 756179.0842 2.6135 2.5867 PRESSURE: 4834800 -97.4508 -64.0377 -143.966 -64.0382 23.8976 -1.3783 -143.967 -1.3791 20.2183 GPRESSURE: 4834800 -73.6716 -22.3543 -147.684 -110.015 36.4806 -31.2059 52.4879 -47.6352 67.096 PRESSAVG: 4834800 47.5463 -45.9411 -33.9312 -45.941 -19.3153 -4.01653 -33.9312 -4.01647 15.2792 GPRESSAVG: 4834800 48.7116 -44.7983 -33.7613 -43.2827 -19.599 -3.89247 -33.973 -4.32151 15.3279 TIMING: 4834800 CPU: 15330.6, 0.00313937/step Wall: 15330.6, 0.00313937/step, 0.144062 hours remaining, 240.550781 MB of memory in use. ENERGY: 4834800 3946.0760 20470.7436 14487.9294 256.9097 -203579.9682 2690.5819 0.0000 0.0000 52116.3339 -109611.3937 299.5133 -161727.7276 -109246.2291 299.5801 -17.7783 9.9683 760035.7132 14.5034 14.8135 PRESSURE: 4835000 -218.708 -45.8172 -226.331 -45.8174 -305.81 -198.914 -226.33 -198.912 -72.1034 GPRESSURE: 4835000 -181.707 40.1245 -210.237 -85.4527 -226.832 -237.717 -212.461 -128.478 -103.328 PRESSAVG: 4835000 39.3562 -35.718 -58.4928 -35.718 -35.5645 -21.7404 -58.4928 -21.7404 17.5993 GPRESSAVG: 4835000 38.8045 -35.9241 -58.8822 -37.4478 -32.7902 -21.53 -59.291 -18.9673 15.897 TIMING: 4835000 CPU: 15331.2, 0.00314481/step Wall: 15331.2, 0.00314481/step, 0.144137 hours remaining, 240.550781 MB of memory in use. ENERGY: 4835000 3900.6534 20557.0183 14437.5286 249.1079 -203547.4032 2611.8419 0.0000 0.0000 52093.8804 -109697.3727 299.3842 -161791.2531 -109343.8392 299.2822 -198.8739 -170.6224 760786.1678 7.1303 7.3038 PRESSURE: 4835200 -97.0192 173.315 -62.4535 173.314 -173.423 199.205 -62.4547 199.204 196.347 GPRESSURE: 4835200 -110.886 224.242 -68.9819 127.575 -56.2228 233.579 -20.8441 126.352 180.001 PRESSAVG: 4835200 19.624 -8.72833 -10.8486 -8.72832 -59.4664 57.7217 -10.8486 57.7217 -1.48113 GPRESSAVG: 4835200 18.6206 -7.65162 -9.15329 -8.92 -60.5603 58.3199 -11.7855 55.3768 0.491692 TIMING: 4835200 CPU: 15331.8, 0.00313788/step Wall: 15331.8, 0.00313788/step, 0.143645 hours remaining, 240.550781 MB of memory in use. ENERGY: 4835200 3976.1617 20416.8721 14507.3206 248.2320 -203577.4356 2738.4694 0.0000 0.0000 51987.0276 -109703.3521 298.7702 -161690.3797 -109333.2532 298.7416 -24.6986 4.2973 761163.9265 -13.7745 -13.8160 PRESSURE: 4835400 185.665 53.6489 -161.804 53.6481 66.6634 -186.029 -161.805 -186.029 182.881 GPRESSURE: 4835400 286.801 -17.7316 -205.285 -18.9787 54.4629 -236.898 -105.278 -70.8311 173.395 PRESSAVG: 4835400 46.8663 -9.93221 -34.7811 -9.9322 -30.25 27.6444 -34.7811 27.6445 -3.5296 GPRESSAVG: 4835400 47.7569 -11.5462 -37.1463 -10.3804 -30.3284 28.7769 -31.8816 27.4878 -3.99696 TIMING: 4835400 CPU: 15332.4, 0.00312051/step Wall: 15332.4, 0.00312051/step, 0.142677 hours remaining, 240.550781 MB of memory in use. ENERGY: 4835400 4036.5198 20553.8662 14442.6227 254.5509 -203989.6024 2924.4778 0.0000 0.0000 52214.6176 -109562.9476 300.0781 -161777.5651 -109210.4816 299.2110 145.0698 171.5529 759328.9672 4.3622 4.4772 PRESSURE: 4835600 -44.2643 -17.6185 337.06 -17.618 -31.2342 26.5977 337.06 26.599 -22.4492 GPRESSURE: 4835600 41.3414 -58.4425 213.033 -42.5793 -41.4949 68.4458 128.902 -44.3947 -25.7226 PRESSAVG: 4835600 51.9539 -2.02882 14.0932 -2.02874 -10.1412 -8.98288 14.0932 -8.98296 20.7287 GPRESSAVG: 4835600 51.6442 -1.52184 14.4001 -1.32088 -10.7172 -10.6307 12.0069 -8.10594 22.0241 TIMING: 4835600 CPU: 15333.1, 0.00312228/step Wall: 15333.1, 0.00312228/step, 0.142584 hours remaining, 240.550781 MB of memory in use. ENERGY: 4835600 4041.9414 20465.6511 14464.0408 252.3502 -203363.7830 2714.2271 0.0000 0.0000 51899.0485 -109526.5238 298.2645 -161425.5723 -109171.7712 299.3167 -32.6492 -8.6254 759706.5986 20.8471 20.9837 PRESSURE: 4835800 107.984 -356.314 -0.0486341 -356.314 50.5762 -133.997 -0.0484017 -133.997 90.6947 GPRESSURE: 4835800 114.8 -378.71 -24.2268 -374.649 51.6961 -47.3857 -6.24941 -93.9304 166.321 PRESSAVG: 4835800 40.0849 -30.2778 8.21845 -30.2778 -51.41 -74.5774 8.21847 -74.5773 -4.91054 GPRESSAVG: 4835800 40.2289 -30.6813 9.98219 -29.4702 -50.1909 -75.3729 8.04643 -74.7385 -6.5812 TIMING: 4835800 CPU: 15333.7, 0.0031205/step Wall: 15333.7, 0.0031205/step, 0.142329 hours remaining, 240.550781 MB of memory in use. ENERGY: 4835800 3936.0387 20548.0189 14496.2622 239.9607 -203825.5322 2918.3647 0.0000 0.0000 52013.3954 -109673.4917 298.9217 -161686.8871 -109302.6157 299.1598 83.0849 110.9390 759564.6727 -5.4119 -5.5144 PRESSURE: 4836000 -66.3402 -28.3778 16.344 -28.3781 -73.6619 -176.1 16.3435 -176.102 -541.663 GPRESSURE: 4836000 -44.6265 36.0314 9.59541 6.80135 -70.5344 -120.66 203.269 -228.2 -495.01 PRESSAVG: 4836000 7.17661 -21.4502 -17.3951 -21.4502 -33.2888 -18.4275 -17.3951 -18.4276 13.2703 GPRESSAVG: 4836000 6.91137 -21.0307 -20.0186 -20.8042 -35.5087 -16.5803 -14.4937 -20.1619 15.4922 TIMING: 4836000 CPU: 15334.3, 0.00311032/step Wall: 15334.3, 0.00311032/step, 0.141692 hours remaining, 240.550781 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: 4836000 4095.7825 20344.9040 14476.1698 243.7683 -203665.2352 2512.5861 0.0000 0.0000 52260.7067 -109731.3178 300.3430 -161992.0245 -109364.7030 299.1158 -227.2219 -203.3902 761043.7530 -4.2807 -4.3684 PRESSURE: 4836200 149.739 -182.326 -84.7593 -182.327 -425.416 60.4489 -84.759 60.4487 40.0023 GPRESSURE: 4836200 148.901 -167.368 -225.394 -82.5355 -308.971 57.2547 -110.788 117.701 11.0806 PRESSAVG: 4836200 29.7992 -19.0442 -11.5769 -19.0443 -54.7449 -2.72917 -11.577 -2.7291 -1.34722 GPRESSAVG: 4836200 29.8534 -19.1774 -10.7115 -19.5277 -53.8096 -3.09132 -12.0258 -0.523682 -2.6591 TIMING: 4836200 CPU: 15334.9, 0.00312195/step Wall: 15334.9, 0.00312195/step, 0.142049 hours remaining, 240.550781 MB of memory in use. ENERGY: 4836200 3954.9473 20490.9427 14543.4725 241.4094 -203704.7115 2662.9144 0.0000 0.0000 52096.6159 -109714.4094 299.4000 -161811.0252 -109349.3314 299.2024 -78.5581 -49.6631 761274.7412 -8.7643 -8.8718 LDB: ============= START OF LOAD BALANCING ============== 15347.4 LDB: ============== END OF LOAD BALANCING =============== 15347.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15347.4 LDB: ============= START OF LOAD BALANCING ============== 15347.7 LDB: Largest compute 7045 load 0.031973 is 16.3% of average load 0.195564 LDB: Average compute 0.004353 is 2.2% of average load 0.195564 LDB: TIME 15347.7 LOAD: AVG 0.195564 MAX 0.214161 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15347.7 LOAD: AVG 0.195564 MAX 0.214161 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 15347.7 LOAD: AVG 0.195564 MAX 0.214161 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 15347.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15347.7 PRESSURE: 4836400 104.44 93.6236 319.829 93.6235 61.3753 -88.728 319.83 -88.7285 -128.899 GPRESSURE: 4836400 164.183 161.302 309.194 36.124 37.0692 -130.781 300.337 -167.014 -83.2951 PRESSAVG: 4836400 46.7417 20.0008 25.6361 20.0007 -84.5668 13.9746 25.6361 13.9746 13.6378 GPRESSAVG: 4836400 48.2516 19.8041 26.298 21.3512 -85.952 13.3793 24.272 12.3369 13.2718 TIMING: 4836400 CPU: 15335.6, 0.00320728/step Wall: 15335.6, 0.00320728/step, 0.145753 hours remaining, 239.585938 MB of memory in use. ENERGY: 4836400 3981.5379 20541.3479 14413.4935 251.3895 -203277.4099 2581.3048 0.0000 0.0000 51830.2069 -109678.1294 297.8689 -161508.3363 -109315.7743 298.7717 12.3054 39.3191 761708.7224 -8.0624 -8.1429 PRESSURE: 4836600 -58.3179 -47.599 133.835 -47.5991 -67.2834 148.496 133.835 148.498 114.625 GPRESSURE: 4836600 -43.888 -167.146 167.248 8.99203 -49.195 143.121 124.082 100.907 163.838 PRESSAVG: 4836600 -6.67787 9.49525 21.1819 9.49521 -15.3324 -14.5743 21.182 -14.5742 -3.92466 GPRESSAVG: 4836600 -8.96796 10.5103 21.0488 9.54206 -13.1084 -15.1759 20.7285 -12.2366 -3.51558 TIMING: 4836600 CPU: 15336.2, 0.00313463/step Wall: 15336.2, 0.00313463/step, 0.142277 hours remaining, 239.585938 MB of memory in use. ENERGY: 4836600 3894.3637 20530.0489 14455.1818 245.4857 -203445.1984 2540.4401 0.0000 0.0000 51881.8861 -109897.7920 298.1659 -161779.6781 -109531.2121 298.3792 -3.6589 23.5850 762197.7846 -8.6450 -8.5306 PRESSURE: 4836800 -151.819 6.62129 203.127 6.62115 -364.058 1.87047 203.127 1.86973 165.59 GPRESSURE: 4836800 -168.632 -33.6809 239.708 58.9231 -282.134 -44.8679 176.752 -165.106 167.918 PRESSAVG: 4836800 -28.6754 -40.2645 9.39402 -40.2646 -7.37338 5.17952 9.39398 5.17955 -13.5095 GPRESSAVG: 4836800 -28.2271 -40.8565 9.5737 -39.7873 -8.15 5.11318 9.60614 3.79778 -13.2016 TIMING: 4836800 CPU: 15336.8, 0.00313115/step Wall: 15336.8, 0.00313115/step, 0.141945 hours remaining, 239.585938 MB of memory in use. ENERGY: 4836800 3978.2967 20751.2970 14468.2564 248.9548 -204003.7493 2860.7614 0.0000 0.0000 51827.7171 -109868.4658 297.8546 -161696.1829 -109516.3032 298.6139 -116.7623 -94.2830 761362.9793 -16.5194 -16.5263 PRESSURE: 4837000 53.3064 -67.6521 3.17475 -67.6513 185.654 231.92 3.1753 231.921 93.3982 GPRESSURE: 4837000 86.2233 -115.398 -70.1538 -37.269 278.452 328.285 2.84203 172.942 56.3692 PRESSAVG: 4837000 -9.19434 -9.50904 31.3027 -9.50904 29.5976 40.123 31.3027 40.1231 21.3997 GPRESSAVG: 4837000 -8.19012 -9.23776 30.7842 -12.2561 29.1967 41.8422 29.9399 40.7472 21.3869 TIMING: 4837000 CPU: 15337.5, 0.00313335/step Wall: 15337.5, 0.00313336/step, 0.141871 hours remaining, 239.585938 MB of memory in use. ENERGY: 4837000 4038.4390 20448.9249 14509.4666 251.2743 -203630.6703 2658.3557 0.0000 0.0000 51773.5977 -109950.6122 297.5436 -161724.2099 -109594.7973 298.3127 110.7860 140.3482 760697.3700 13.9343 14.1312 PRESSURE: 4837200 -16.822 9.11961 187.72 9.1198 297.112 106.742 187.719 106.742 -252.493 GPRESSURE: 4837200 65.5651 -22.7971 187.182 91.2788 245.026 68.9064 216.662 187.817 -210.136 PRESSAVG: 4837200 -18.1222 2.63856 14.8055 2.63858 0.296079 -1.75977 14.8055 -1.75978 3.20271 GPRESSAVG: 4837200 -18.7037 3.87987 15.6312 3.51605 0.0879294 -2.31285 15.2995 -2.36363 3.88325 TIMING: 4837200 CPU: 15338.1, 0.00313744/step Wall: 15338.1, 0.00313744/step, 0.141882 hours remaining, 239.585938 MB of memory in use. ENERGY: 4837200 4011.0897 20514.8337 14477.6621 238.3776 -203772.0963 2647.1401 0.0000 0.0000 51894.8593 -109988.1339 298.2405 -161882.9932 -109627.9310 298.2021 9.2659 33.4852 759717.3108 -4.8745 -4.9108 PRESSURE: 4837400 -119.62 -60.0759 -66.2455 -60.0766 -279.321 -134.388 -66.2462 -134.388 -547.681 GPRESSURE: 4837400 -192.958 -90.9077 -39.0682 -7.84818 -258.815 -188.987 -79.0821 -218.142 -422.715 PRESSAVG: 4837400 50.3574 9.31173 8.96921 9.31174 -35.6299 31.5712 8.96921 31.5711 -6.80941 GPRESSAVG: 4837400 50.8909 8.06642 8.61268 11.3617 -35.5554 31.196 10.4181 31.1507 -8.0191 TIMING: 4837400 CPU: 15338.7, 0.00313102/step Wall: 15338.7, 0.00313102/step, 0.141418 hours remaining, 239.585938 MB of memory in use. ENERGY: 4837400 3999.1594 20533.3738 14477.6364 241.8659 -203829.3052 2764.9138 0.0000 0.0000 51915.7724 -109896.5836 298.3607 -161812.3559 -109539.5212 298.0135 -315.5406 -291.4961 760030.3503 2.6393 2.4388 PRESSURE: 4837600 56.5852 74.2851 292.635 74.285 37.7014 47.0357 292.634 47.0367 -234.438 GPRESSURE: 4837600 -39.8602 -65.056 271.398 43.9027 187.446 40.683 205.758 66.9569 -215.247 PRESSAVG: 4837600 -45.6408 -26.8987 49.5271 -26.8988 29.2645 -33.0392 49.5271 -33.0391 11.0054 GPRESSAVG: 4837600 -46.7168 -25.6304 48.701 -29.2248 30.1713 -33.8403 48.6005 -30.5361 11.0132 TIMING: 4837600 CPU: 15339.3, 0.00311918/step Wall: 15339.3, 0.00311918/step, 0.14071 hours remaining, 239.585938 MB of memory in use. ENERGY: 4837600 4031.2185 20424.4371 14439.0418 247.6971 -203388.1697 2655.5150 0.0000 0.0000 51721.2555 -109869.0047 297.2428 -161590.2602 -109508.4788 298.4020 -46.7172 -22.5540 760544.4103 -1.7903 -1.8441 PRESSURE: 4837800 30.2466 -21.6631 -49.1025 -21.6632 -157.152 -67.7373 -49.1022 -67.7371 102.546 GPRESSURE: 4837800 141.274 -64.7096 -56.0822 17.031 -91.8135 -89.0656 90.2609 -53.0307 22.9744 PRESSAVG: 4837800 -13.5765 -67.9266 -20.8911 -67.9267 -35.734 -27.84 -20.8911 -27.84 4.22915 GPRESSAVG: 4837800 -13.6155 -70.0487 -20.9385 -67.7123 -35.9156 -27.3011 -19.5811 -29.7136 3.8855 TIMING: 4837800 CPU: 15340, 0.00311093/step Wall: 15340, 0.00311093/step, 0.140165 hours remaining, 239.585938 MB of memory in use. ENERGY: 4837800 3958.6889 20466.4063 14465.2424 247.5515 -202893.2141 2234.8921 0.0000 0.0000 51746.6838 -109773.7492 297.3889 -161520.4330 -109407.4602 297.9611 -8.1199 24.1448 760866.3632 -15.0271 -15.2152 PRESSURE: 4838000 -243.871 -3.98719 -3.03654 -3.98673 173.435 -10.3813 -3.03787 -10.3823 -338.077 GPRESSURE: 4838000 -267.022 126.019 23.8877 -84.4381 218.87 -38.5086 -86.0676 47.3019 -268.71 PRESSAVG: 4838000 -29.728 -107.773 -16.9788 -107.773 23.2914 -47.4798 -16.9788 -47.4799 -4.80302 GPRESSAVG: 4838000 -29.5741 -105.202 -16.9371 -107.481 22.6601 -47.8108 -18.2805 -47.7554 -4.52955 TIMING: 4838000 CPU: 15340.6, 0.00312724/step Wall: 15340.6, 0.00312724/step, 0.140726 hours remaining, 239.585938 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: 4838000 3971.0490 20478.8537 14534.3170 240.4026 -203181.2446 2166.4009 0.0000 0.0000 52224.6477 -109565.5737 300.1358 -161790.2214 -109198.5278 298.9617 -136.1709 -105.6206 760085.9459 -3.7465 -3.8145 PRESSURE: 4838200 80.1651 -53.709 197.663 -53.7083 31.8635 -103.561 197.662 -103.561 39.3502 GPRESSURE: 4838200 108.931 -31.038 171.16 -34.2123 56.4425 -166.221 246.398 -31.0302 80.2282 PRESSAVG: 4838200 -23.3287 -25.1385 -16.4024 -25.1385 -12.9234 -2.16194 -16.4024 -2.16197 -15.5037 GPRESSAVG: 4838200 -23.7833 -26.6686 -17.6886 -24.9414 -12.1979 -3.23002 -14.4572 0.201706 -15.0114 TIMING: 4838200 CPU: 15341.2, 0.00311663/step Wall: 15341.2, 0.00311663/step, 0.140075 hours remaining, 239.585938 MB of memory in use. ENERGY: 4838200 4023.6340 20442.3036 14559.8163 233.2915 -203380.2426 2619.6331 0.0000 0.0000 51921.9607 -109579.6033 298.3962 -161501.5640 -109220.2154 299.0296 50.4596 81.8672 760803.9912 -17.2520 -16.9975 PRESSURE: 4838400 7.1108 -111.997 27.3519 -111.997 -115.337 137.871 27.3522 137.872 -101.303 GPRESSURE: 4838400 10.1066 32.6852 -28.8019 -37.4589 -67.1169 28.4712 -8.42449 73.0127 -90.0674 PRESSAVG: 4838400 36.4684 -30.0912 42.5281 -30.0912 -31.3626 15.1628 42.5281 15.1627 -16.2116 GPRESSAVG: 4838400 36.3848 -27.8996 44.0405 -30.177 -31.2075 15.0957 42.3578 11.9992 -16.4998 TIMING: 4838400 CPU: 15341.8, 0.00313537/step Wall: 15341.8, 0.00313537/step, 0.140743 hours remaining, 239.585938 MB of memory in use. ENERGY: 4838400 3989.7241 20521.2847 14507.4635 231.8629 -203308.7363 2518.0877 0.0000 0.0000 52098.1190 -109442.1944 299.4086 -161540.3134 -109085.0021 299.6773 -69.8432 -49.0259 760907.0347 -3.7019 -3.7742 PRESSURE: 4838600 -93.9803 48.4114 170.916 48.4123 -10.1894 -137.152 170.916 -137.153 -178.874 GPRESSURE: 4838600 -159.858 22.7808 104.416 -15.0324 60.3807 -112.342 287.583 -77.3798 -95.4311 PRESSAVG: 4838600 36.1722 -42.1962 35.6654 -42.1962 -44.2396 8.87809 35.6654 8.87807 -15.1972 GPRESSAVG: 4838600 36.2062 -45.4226 35.4365 -41.8349 -43.7411 10.6087 35.2068 9.48045 -15.6697 TIMING: 4838600 CPU: 15342.5, 0.00313385/step Wall: 15342.5, 0.00313385/step, 0.140501 hours remaining, 239.585938 MB of memory in use. ENERGY: 4838600 4066.1197 20651.8449 14489.6804 237.4453 -203443.6038 2649.6558 0.0000 0.0000 52073.5827 -109275.2750 299.2676 -161348.8577 -108922.6736 299.6761 -94.3479 -64.9696 761268.6992 -7.7549 -7.7349 PRESSURE: 4838800 -258.196 -90.9358 79.3273 -90.9359 183.608 55.5177 79.3268 55.5166 -36.1412 GPRESSURE: 4838800 -217.484 4.87495 55.0357 -86.0346 167.437 58.9153 -10.3465 130.608 23.9619 PRESSAVG: 4838800 -22.4856 -50.4677 17.6261 -50.4677 17.8623 38.302 17.6261 38.3021 -3.35414 GPRESSAVG: 4838800 -22.2804 -49.0193 17.7376 -49.6612 16.4253 37.7372 18.6218 38.7618 -2.23551 TIMING: 4838800 CPU: 15343.1, 0.00313095/step Wall: 15343.1, 0.00313095/step, 0.140197 hours remaining, 239.585938 MB of memory in use. ENERGY: 4838800 4061.2981 20536.4963 14528.5958 254.4324 -203336.8061 2428.4491 0.0000 0.0000 52223.5024 -109304.0319 300.1292 -161527.5343 -108936.6360 300.0714 -36.9098 -8.6950 760303.6618 -2.6591 -2.6969 PRESSURE: 4839000 -17.93 -136.598 -33.2833 -136.598 64.3178 -49.8203 -33.2832 -49.8204 119.768 GPRESSURE: 4839000 24.8249 -52.1462 55.8404 -85.4589 73.5091 -78.4604 -44.197 -41.6603 140.42 PRESSAVG: 4839000 -42.3508 16.7912 -5.04708 16.7912 44.9756 -14.8088 -5.04708 -14.8088 -23.2118 GPRESSAVG: 4839000 -41.699 17.8013 -3.40835 16.517 44.9244 -15.5782 -7.20516 -12.9312 -23.5663 TIMING: 4839000 CPU: 15343.7, 0.00313815/step Wall: 15343.7, 0.00313815/step, 0.140345 hours remaining, 239.585938 MB of memory in use. ENERGY: 4839000 4003.6158 20743.3241 14539.7767 244.7998 -203497.5845 2628.9676 0.0000 0.0000 52061.7911 -109275.3092 299.1998 -161337.1004 -108918.0148 299.8237 55.3854 79.5847 759582.0305 -6.8623 -6.7803 PRESSURE: 4839200 -305.655 152.514 -176.14 152.514 -428.694 216.435 -176.14 216.436 -193.401 GPRESSURE: 4839200 -272.801 148.569 -180.013 147.728 -336.617 242.527 -139.863 184.61 -247.391 PRESSAVG: 4839200 0.851688 -33.1034 -9.80863 -33.1035 -9.0023 15.5081 -9.80853 15.5081 22.9938 GPRESSAVG: 4839200 0.181965 -34.4152 -12.3049 -32.4545 -9.17506 16.56 -7.9227 11.1998 23.8918 TIMING: 4839200 CPU: 15344.3, 0.00314774/step Wall: 15344.3, 0.00314774/step, 0.140599 hours remaining, 239.585938 MB of memory in use. ENERGY: 4839200 4027.7307 20603.8510 14558.6757 243.1597 -203176.0979 2328.8704 0.0000 0.0000 52160.7891 -109253.0212 299.7688 -161413.8104 -108890.4019 300.2605 -309.2499 -285.6031 759668.9598 4.9477 4.9662 PRESSURE: 4839400 -144.59 -132.815 -55.4091 -132.816 -214.222 147.805 -55.4094 147.804 137.262 GPRESSURE: 4839400 6.53286 -184.266 -21.9542 32.5034 -229.415 97.7996 118.211 142.39 81.6461 PRESSAVG: 4839400 6.14058 -23.957 -1.6151 -23.957 -20.7743 35.4432 -1.61512 35.4431 -3.96455 GPRESSAVG: 4839400 7.71918 -24.9965 -1.45248 -25.176 -20.4289 37.4166 -1.14447 36.2871 -5.94385 TIMING: 4839400 CPU: 15345, 0.00314651/step Wall: 15345, 0.00314651/step, 0.140369 hours remaining, 239.585938 MB of memory in use. ENERGY: 4839400 4012.4938 20622.6123 14499.2142 275.7908 -203438.1653 2370.6792 0.0000 0.0000 52282.4147 -109374.9603 300.4678 -161657.3750 -109018.0231 299.9998 -73.8497 -47.0787 758669.8082 -6.1994 -6.2179 PRESSURE: 4839600 187.022 -160.41 101.866 -160.411 -300.246 24.0086 101.866 24.008 -38.377 GPRESSURE: 4839600 153.662 17.0154 167.307 -67.0174 -172.074 60.1533 119.073 56.2133 -51.4573 PRESSAVG: 4839600 34.1584 -20.5711 27.6196 -20.5711 -37.5809 -47.9172 27.6196 -47.9171 1.03031 GPRESSAVG: 4839600 32.372 -18.2674 29.1656 -18.2929 -36.8959 -50.7152 26.191 -46.7794 1.54883 TIMING: 4839600 CPU: 15345.6, 0.00313208/step Wall: 15345.6, 0.00313208/step, 0.139552 hours remaining, 239.585938 MB of memory in use. ENERGY: 4839600 4031.2993 20662.7957 14453.9460 233.0215 -203182.6325 2478.1162 0.0000 0.0000 51837.1242 -109486.3296 297.9087 -161323.4538 -109129.9325 299.7604 -50.5337 -23.2898 760101.5485 -0.7974 -0.9917 PRESSURE: 4839800 14.2647 -52.996 208.596 -52.9955 -34.7934 -31.8491 208.598 -31.8485 -192.717 GPRESSURE: 4839800 70.7661 -189.336 208.742 -92.5343 -119.514 -82.1583 88.0141 105.305 -97.3588 PRESSAVG: 4839800 9.92478 -80.7252 43.1082 -80.7252 -21.3191 -4.51442 43.1083 -4.51438 5.31806 GPRESSAVG: 4839800 9.95703 -81.402 43.6765 -81.5482 -21.1474 -4.1041 41.0815 -4.74399 4.64277 TIMING: 4839800 CPU: 15346.2, 0.00313539/step Wall: 15346.2, 0.00313539/step, 0.139525 hours remaining, 239.585938 MB of memory in use. ENERGY: 4839800 4007.0883 20514.2115 14514.9343 254.7918 -203686.7091 2671.9836 0.0000 0.0000 52029.3736 -109694.3260 299.0135 -161723.6997 -109332.4288 299.1159 -71.0819 -48.7022 758881.9183 -2.0254 -2.1825 PRESSURE: 4840000 112.55 18.2586 19.9078 18.2581 -28.9456 -45.1516 19.9083 -45.1516 170.461 GPRESSURE: 4840000 139.426 3.79425 38.8165 71.5681 81.7551 -43.6748 -25.4375 -38.1683 105.541 PRESSAVG: 4840000 -13.0284 -78.3409 20.0957 -78.3409 24.8493 -10.8215 20.0957 -10.8215 -13.901 GPRESSAVG: 4840000 -12.2636 -78.1171 19.8529 -80.0069 25.5816 -9.97604 21.7013 -11.0879 -15.2238 TIMING: 4840000 CPU: 15346.9, 0.00313816/step Wall: 15346.9, 0.00313816/step, 0.139474 hours remaining, 239.585938 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: 4840000 3979.3282 20372.5548 14539.7342 253.2197 -203666.2098 2578.5284 0.0000 0.0000 52110.5465 -109832.2980 299.4800 -161942.8445 -109474.3210 299.4096 84.6886 108.9077 759680.4363 -0.6934 -0.6352 PRESSURE: 4840200 -165.146 -19.2215 -107.325 -19.2213 -469.495 -4.50156 -107.325 -4.50244 -113.924 GPRESSURE: 4840200 -61.107 0.617225 -121.541 -26.8009 -435.743 -76.9832 -17.6269 -8.53907 -152.746 PRESSAVG: 4840200 -15.1896 -84.8215 -25.3558 -84.8214 1.38341 -44.8556 -25.3558 -44.8555 -0.688226 GPRESSAVG: 4840200 -14.5648 -83.9664 -26.543 -85.0288 -0.487536 -45.7937 -25.916 -44.9842 0.671832 TIMING: 4840200 CPU: 15347.5, 0.00312845/step Wall: 15347.5, 0.00312845/step, 0.138868 hours remaining, 239.585938 MB of memory in use. ENERGY: 4840200 4064.2680 20483.2990 14472.4099 233.9298 -203319.1283 2378.2004 0.0000 0.0000 52031.5914 -109655.4299 299.0263 -161687.0213 -109292.3567 299.2338 -249.5216 -216.5320 761153.8877 -4.8315 -4.7935 LDB: ============= START OF LOAD BALANCING ============== 15359.9 LDB: ============== END OF LOAD BALANCING =============== 15359.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15359.9 LDB: ============= START OF LOAD BALANCING ============== 15360.2 LDB: Largest compute 7068 load 0.033442 is 17.1% of average load 0.195492 LDB: Average compute 0.004365 is 2.2% of average load 0.195492 LDB: TIME 15360.3 LOAD: AVG 0.195492 MAX 0.212897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 15360.3 LOAD: AVG 0.195492 MAX 0.212897 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 15360.3 LOAD: AVG 0.195492 MAX 0.212897 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 15360.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15360.3 PRESSURE: 4840400 198.656 -396.645 -11.6487 -396.645 -197.874 315.626 -11.6492 315.628 235.899 GPRESSURE: 4840400 274.384 -346.21 40.6662 -328.026 -183.373 259.301 183.887 151.647 219.085 PRESSAVG: 4840400 61.7337 -31.6608 18.3431 -31.6608 -41.6852 -42.3013 18.3431 -42.3012 6.44871 GPRESSAVG: 4840400 61.3636 -32.5814 18.6125 -31.8893 -40.9046 -41.3629 20.6419 -41.9578 6.44772 TIMING: 4840400 CPU: 15348.1, 0.00320979/step Wall: 15348.1, 0.00320978/step, 0.1423 hours remaining, 241.640625 MB of memory in use. ENERGY: 4840400 3966.0227 20582.5285 14490.2625 244.3086 -203734.9413 2633.4699 0.0000 0.0000 51958.3780 -109859.9711 298.6055 -161818.3491 -109485.7609 298.9513 78.8936 103.3653 762366.5437 8.8324 8.9689 PRESSURE: 4840600 -98.2914 118.868 68.2713 118.868 -136.602 -72.4822 68.2727 -72.481 -22.4831 GPRESSURE: 4840600 -34.1312 159.135 47.1723 95.7166 -110.235 -125.292 91.7989 60.6715 -39.5719 PRESSAVG: 4840600 27.9354 -67.614 -14.8884 -67.614 -49.3171 -9.0516 -14.8884 -9.05154 5.50411 GPRESSAVG: 4840600 27.9746 -66.3801 -15.2927 -68.417 -49.1826 -9.53763 -14.0498 -7.88947 4.80394 TIMING: 4840600 CPU: 15348.8, 0.00314259/step Wall: 15348.8, 0.00314259/step, 0.139147 hours remaining, 241.652344 MB of memory in use. ENERGY: 4840600 3899.3767 20419.4003 14535.6440 243.8289 -203272.9632 2444.3750 0.0000 0.0000 52038.1018 -109692.2365 299.0637 -161730.3382 -109330.5721 299.0045 -85.7921 -61.3126 761444.2714 -5.2925 -5.4680 PRESSURE: 4840800 -218.876 -59.0065 -184.546 -59.0062 391.893 -195.884 -184.545 -195.884 -135.491 GPRESSURE: 4840800 -58.5062 -27.2511 -112.016 -116.041 342.204 -200.697 -142.327 -128.267 -157.179 PRESSAVG: 4840800 19.553 -44.4948 16.4814 -44.4949 -31.753 1.61417 16.4814 1.61417 -34.4649 GPRESSAVG: 4840800 19.6308 -45.149 18.2702 -44.5522 -33.2556 2.09099 14.96 1.41594 -33.0957 TIMING: 4840800 CPU: 15349.4, 0.00317196/step Wall: 15349.4, 0.00317196/step, 0.140271 hours remaining, 241.652344 MB of memory in use. ENERGY: 4840800 3977.5237 20451.8973 14535.4054 252.2194 -203740.8474 2625.6224 0.0000 0.0000 52141.6740 -109756.5051 299.6589 -161898.1791 -109386.8326 298.5956 12.5086 42.1727 759081.1989 -15.5550 -15.5735 PRESSURE: 4841000 370.487 -189.14 53.7021 -189.141 -222.468 68.0338 53.7011 68.0352 -216.446 GPRESSURE: 4841000 374.87 -225.604 -18.0664 -197.049 -165.79 48.8086 -22.4591 103.362 -188.177 PRESSAVG: 4841000 -33.4178 -18.8405 -8.67345 -18.8405 13.453 -44.3501 -8.6734 -44.3501 21.6329 GPRESSAVG: 4841000 -33.4093 -18.2655 -11.1219 -17.9043 14.0305 -44.9922 -8.86475 -45.2594 21.0652 TIMING: 4841000 CPU: 15350, 0.00318238/step Wall: 15350, 0.00318238/step, 0.140555 hours remaining, 241.652344 MB of memory in use. ENERGY: 4841000 4013.2825 20414.0192 14508.4438 260.8568 -203589.7931 2664.5761 0.0000 0.0000 52137.2846 -109591.3300 299.6337 -161728.6146 -109224.1922 299.4108 -22.8090 6.9680 760803.8550 0.5560 0.5621 PRESSURE: 4841200 -112.161 23.4554 -84.5474 23.4555 -261.314 -36.905 -84.5478 -36.9048 94.3076 GPRESSURE: 4841200 -126.226 18.5577 -49.3119 -107.702 -143.319 -47.9732 91.82 15.4247 68.6072 PRESSAVG: 4841200 -13.184 -22.6451 -9.74578 -22.645 -11.8441 -50.5567 -9.74576 -50.5565 12.7764 GPRESSAVG: 4841200 -13.8482 -23.468 -9.47577 -22.5606 -11.3384 -50.6962 -10.223 -50.9645 12.2427 TIMING: 4841200 CPU: 15350.7, 0.00317003/step Wall: 15350.7, 0.00317003/step, 0.139833 hours remaining, 241.652344 MB of memory in use. ENERGY: 4841200 3976.1321 20449.0439 14550.0952 250.5642 -203454.0266 2417.5467 0.0000 0.0000 52296.1170 -109514.5274 300.5465 -161810.6445 -109143.0757 299.2815 -93.0560 -66.9793 759251.8019 -4.0839 -4.3146 PRESSURE: 4841400 -199.599 115.399 236.518 115.399 96.4297 -114.323 236.518 -114.324 124.158 GPRESSURE: 4841400 -175.92 152.078 238.524 59.4815 123.077 -73.6687 224.035 -86.2849 167.423 PRESSAVG: 4841400 -56.7381 -12.1812 4.86446 -12.1813 19.3276 -42.0238 4.8644 -42.0239 6.02444 GPRESSAVG: 4841400 -56.6358 -13.0853 5.1786 -12.2161 18.9487 -41.8187 5.09713 -41.6437 7.01369 TIMING: 4841400 CPU: 15351.3, 0.0031625/step Wall: 15351.3, 0.0031625/step, 0.139326 hours remaining, 241.652344 MB of memory in use. ENERGY: 4841400 4025.8328 20645.8485 14622.0394 223.5757 -203291.4551 2592.5174 0.0000 0.0000 51944.0492 -109237.5921 298.5232 -161181.6413 -108882.2904 299.4960 6.9960 38.1931 759875.0688 -10.4620 -10.2245 PRESSURE: 4841600 -37.0015 -61.5604 -367.314 -61.5603 -75.1209 59.9939 -367.313 59.9931 102.39 GPRESSURE: 4841600 -12.1856 108.86 -378.015 3.36557 -6.03289 40.5994 -228.535 -23.2612 87.7434 PRESSAVG: 4841600 -29.9346 -12.2729 6.16853 -12.2729 -30.5317 -21.1214 6.16858 -21.1215 13.7511 GPRESSAVG: 4841600 -30.3237 -11.5178 5.65015 -12.4035 -29.9401 -20.0118 6.37276 -21.2858 13.6214 TIMING: 4841600 CPU: 15351.9, 0.00316406/step Wall: 15351.9, 0.00316406/step, 0.139218 hours remaining, 241.652344 MB of memory in use. ENERGY: 4841600 3929.3415 20476.1249 14560.4534 261.6855 -202950.5662 2445.9698 0.0000 0.0000 52085.2664 -109191.7248 299.3347 -161276.9912 -108838.7948 299.8995 -3.2440 23.1750 759811.7474 -15.5717 -15.5474 PRESSURE: 4841800 2.45712 32.1646 -22.5706 32.1645 -287.456 -120.09 -22.5698 -120.089 366.391 GPRESSURE: 4841800 27.4974 -6.08204 19.5424 -76.4923 -147.594 -132.161 -59.9569 -200.279 280.546 PRESSAVG: 4841800 6.49216 -20.0828 27.3213 -20.0829 -31.2341 -78.8537 27.3213 -78.8537 -36.434 GPRESSAVG: 4841800 6.7857 -19.314 28.9565 -18.9218 -32.3873 -77.9196 26.4001 -79.7667 -35.6518 TIMING: 4841800 CPU: 15352.5, 0.00314383/step Wall: 15352.5, 0.00314383/step, 0.138154 hours remaining, 241.652344 MB of memory in use. ENERGY: 4841800 3981.2544 20514.0684 14492.2369 263.8377 -203122.9496 2432.5637 0.0000 0.0000 52232.9963 -109205.9924 300.1837 -161438.9887 -108841.2575 299.7960 27.1310 53.4832 761568.3191 -20.3920 -20.4178 PRESSURE: 4842000 27.6771 48.1144 298.403 48.1147 -144.401 -283.711 298.402 -283.711 265.341 GPRESSURE: 4842000 111.567 -30.7237 269.731 181.496 -124.368 -296.213 191.028 -117.238 221.527 PRESSAVG: 4842000 16.2463 5.06699 2.73359 5.06703 -1.64573 -53.0984 2.73359 -53.0984 34.868 GPRESSAVG: 4842000 16.0725 3.02193 3.31217 6.01186 -1.20728 -56.3754 2.60906 -48.4895 34.5556 TIMING: 4842000 CPU: 15353.2, 0.00314063/step Wall: 15353.2, 0.00314063/step, 0.137839 hours remaining, 241.652344 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: 4842000 4032.7754 20539.6391 14508.1647 244.8425 -203404.2464 2591.2514 0.0000 0.0000 52289.4779 -109198.0953 300.5083 -161487.5732 -108835.9019 299.9121 49.5390 69.5751 760865.9735 16.4895 16.4736 PRESSURE: 4842200 21.5829 63.4044 -200.671 63.4047 408.345 192.353 -200.671 192.353 -65.2985 GPRESSURE: 4842200 165.389 11.5136 -147.956 2.0806 277.234 161.557 -44.0793 289.379 -1.62862 PRESSAVG: 4842200 -11.3114 -56.7176 -3.78885 -56.7176 -27.2758 -18.4529 -3.78884 -18.4529 -6.31019 GPRESSAVG: 4842200 -11.5641 -56.9712 -4.84753 -57.821 -26.9022 -17.6525 -0.876616 -20.8906 -6.34484 TIMING: 4842200 CPU: 15353.8, 0.00314966/step Wall: 15353.8, 0.00314966/step, 0.13806 hours remaining, 241.652344 MB of memory in use. ENERGY: 4842200 4018.0282 20449.0675 14444.3643 239.6162 -203390.7773 2670.2436 0.0000 0.0000 52165.1991 -109404.2585 299.7941 -161569.4576 -109033.8809 299.3422 121.5432 146.9982 760069.8154 -14.9658 -14.9370 PRESSURE: 4842400 -293.947 -64.4299 47.9857 -64.4298 150.569 125.932 47.9852 125.932 -38.0238 GPRESSURE: 4842400 -184.839 -51.9153 116.558 -127.989 140.843 127.057 -45.9563 83.0542 -57.5092 PRESSAVG: 4842400 21.399 -9.08306 26.9701 -9.08305 8.69219 28.4263 26.9701 28.4264 3.74931 GPRESSAVG: 4842400 22.5578 -5.91885 26.7225 -8.63731 8.82199 29.5838 24.6367 26.7578 2.68878 TIMING: 4842400 CPU: 15354.4, 0.00313599/step Wall: 15354.4, 0.00313599/step, 0.137287 hours remaining, 241.652344 MB of memory in use. ENERGY: 4842400 3981.3492 20487.4382 14592.0137 255.3855 -203658.7749 2839.0195 0.0000 0.0000 52073.7038 -109429.8650 299.2683 -161503.5688 -109070.2786 299.6997 -60.4676 -33.8349 760713.6387 11.2802 11.3562 PRESSURE: 4842600 -432.932 -93.9578 43.2822 -93.9584 -382.049 -153.38 43.2818 -153.38 -249.943 GPRESSURE: 4842600 -370.555 -118.51 -25.3001 0.542674 -380.389 -131.383 40.5588 -218.454 -229.403 PRESSAVG: 4842600 -15.2206 -31.4297 -6.93135 -31.4297 -0.707309 23.4737 -6.93127 23.4736 24.2143 GPRESSAVG: 4842600 -16.6356 -33.5916 -5.83227 -30.678 -0.0673334 23.7937 -7.71555 22.5566 24.8284 TIMING: 4842600 CPU: 15355.1, 0.00313778/step Wall: 15355.1, 0.00313778/step, 0.137191 hours remaining, 241.652344 MB of memory in use. ENERGY: 4842600 4073.6437 20597.6939 14574.5269 212.9814 -202934.4217 2172.1789 0.0000 0.0000 51817.2353 -109486.1616 297.7944 -161303.3968 -109129.7564 299.3784 -354.9746 -326.7826 761957.6739 2.7621 2.7085 PRESSURE: 4842800 -391.342 93.7829 17.7529 93.7831 -175.737 -128.075 17.7533 -128.074 -551.916 GPRESSURE: 4842800 -280.142 17.4158 -103.118 76.1105 -276.074 -82.7826 -154.889 0.906913 -471.513 PRESSAVG: 4842800 -30.8315 -10.3747 12.5178 -10.3747 -6.82726 36.5237 12.5178 36.5237 34.2371 GPRESSAVG: 4842800 -30.202 -11.7962 11.3378 -11.3113 -6.9618 36.1451 12.8983 39.231 33.3606 TIMING: 4842800 CPU: 15355.7, 0.00313487/step Wall: 15355.7, 0.00313487/step, 0.136889 hours remaining, 241.652344 MB of memory in use. ENERGY: 4842800 4042.4299 20516.2531 14587.8083 243.7363 -203081.7126 2244.5973 0.0000 0.0000 51980.1671 -109466.7207 298.7307 -161446.8878 -109115.7081 299.2959 -372.9983 -342.5763 760409.3608 -1.1406 -1.2677 PRESSURE: 4843000 55.9224 -242.986 114.542 -242.987 -161.328 -71.1447 114.541 -71.1449 -231.935 GPRESSURE: 4843000 96.3194 -131.416 157.84 -181.638 -125.191 -107.781 130.154 -25.0173 -220.139 PRESSAVG: 4843000 65.9545 0.965156 5.47697 0.965139 -108.719 26.4305 5.47687 26.4304 -21.0598 GPRESSAVG: 4843000 63.9355 3.62574 6.18605 -0.0292007 -109.101 27.7451 6.78452 24.9955 -18.6161 TIMING: 4843000 CPU: 15356.3, 0.00313456/step Wall: 15356.3, 0.00313456/step, 0.136702 hours remaining, 241.652344 MB of memory in use. ENERGY: 4843000 3978.5841 20361.1826 14476.8441 271.1685 -203644.2473 2635.0005 0.0000 0.0000 52098.4694 -109822.9981 299.4106 -161921.4675 -109463.9783 298.9917 -112.4470 -83.0038 761334.2602 -21.2746 -21.2605 PRESSURE: 4843200 39.7664 -62.3198 195.968 -62.3195 4.75506 37.4072 195.968 37.4076 213.651 GPRESSURE: 4843200 83.1131 75.1347 258.843 -4.40133 34.2075 -19.0305 212.673 -46.649 217.663 PRESSAVG: 4843200 46.8646 28.3587 7.76591 28.3586 -41.6352 36.9468 7.76587 36.9468 -8.45503 GPRESSAVG: 4843200 47.8646 29.7123 8.49315 28.2558 -40.4431 34.6998 7.84605 35.714 -10.9868 TIMING: 4843200 CPU: 15356.9, 0.00311849/step Wall: 15356.9, 0.00311849/step, 0.135828 hours remaining, 241.652344 MB of memory in use. ENERGY: 4843200 3954.2506 20544.7572 14575.5301 270.3028 -203611.2928 2700.2876 0.0000 0.0000 51706.6586 -109859.5058 297.1589 -161566.1644 -109501.9914 298.6279 86.0573 111.6611 759931.5191 -1.0752 -1.1884 PRESSURE: 4843400 377.316 103.932 67.4849 103.932 -247.597 19.0087 67.4849 19.0082 165.86 GPRESSURE: 4843400 411.594 147.018 33.5143 -20.3904 -144.794 -33.4177 75.8488 -109.216 106.297 PRESSAVG: 4843400 91.7174 9.65563 33.2758 9.65563 -69.2706 -6.90502 33.2758 -6.90497 -13.9737 GPRESSAVG: 4843400 91.7071 7.87282 31.6881 9.90192 -71.3023 -5.79676 32.5403 -6.67424 -11.6261 TIMING: 4843400 CPU: 15357.6, 0.0031428/step Wall: 15357.6, 0.0031428/step, 0.136712 hours remaining, 241.652344 MB of memory in use. ENERGY: 4843400 3914.1506 20639.7915 14516.4734 228.4154 -203503.0435 2535.5442 0.0000 0.0000 51695.5152 -109973.1532 297.0948 -161668.6684 -109616.0263 298.3062 98.5262 124.3659 760994.6305 2.8244 2.9262 PRESSURE: 4843600 294.357 209.989 -34.892 209.988 26.6313 207.241 -34.8914 207.241 164.276 GPRESSURE: 4843600 248.642 250.156 -119.684 35.3855 150.927 114.966 -14.7942 194.778 162.229 PRESSAVG: 4843600 41.5843 -28.0267 -0.146224 -28.0267 -94.1675 -6.99914 -0.146232 -6.99907 28.7968 GPRESSAVG: 4843600 42.9652 -27.067 -0.870138 -27.8335 -93.2086 -7.36946 1.6119 -6.71876 26.656 TIMING: 4843600 CPU: 15358.2, 0.00314382/step Wall: 15358.2, 0.00314382/step, 0.136581 hours remaining, 241.652344 MB of memory in use. ENERGY: 4843600 3941.9721 20512.9894 14492.0534 249.3696 -203593.0355 2648.1544 0.0000 0.0000 51737.5296 -110010.9670 297.3363 -161748.4966 -109648.8653 298.1695 161.7548 187.2656 759689.9582 -7.9288 -7.8625 PRESSURE: 4843800 112.317 133.45 28.0258 133.45 -381.581 152.445 28.025 152.445 -231.8 GPRESSURE: 4843800 161.063 12.0622 21.3401 107.026 -354.087 180.188 15.2185 142.887 -246.974 PRESSAVG: 4843800 57.0503 -12.5213 19.1806 -12.5212 -74.1081 18.7428 19.1806 18.7428 3.13537 GPRESSAVG: 4843800 56.1102 -15.6856 21.0722 -12.3799 -74.3877 19.3512 18.847 17.9452 4.31638 TIMING: 4843800 CPU: 15358.8, 0.00313049/step Wall: 15358.8, 0.00313049/step, 0.135829 hours remaining, 241.652344 MB of memory in use. ENERGY: 4843800 3954.5995 20562.5561 14451.4278 249.8679 -203490.9771 2402.7046 0.0000 0.0000 51873.1039 -109996.7174 298.1154 -161869.8212 -109629.6272 297.8249 -167.0214 -146.6660 760692.3813 -4.6408 -4.6537 PRESSURE: 4844000 -28.8314 -2.04309 96.1157 -2.04336 -445.387 -149.47 96.1148 -149.469 -64.3103 GPRESSURE: 4844000 -62.8388 -13.2267 104.08 -30.0121 -317.659 -159.577 91.3881 -84.3665 -64.8918 PRESSAVG: 4844000 8.44958 -1.27483 38.4667 -1.27482 -45.853 63.28 38.4667 63.28 -4.29786 GPRESSAVG: 4844000 9.6593 0.639912 37.8084 1.70869 -45.7485 63.0298 35.3385 64.6398 -5.36507 TIMING: 4844000 CPU: 15359.5, 0.00314591/step Wall: 15359.5, 0.00314591/step, 0.136323 hours remaining, 241.652344 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: 4844000 4058.5730 20456.2166 14429.7936 224.2728 -203792.2885 2417.5111 0.0000 0.0000 52181.6341 -110024.2873 299.8886 -162205.9214 -109659.2323 298.2657 -179.5096 -148.4633 762548.8679 -13.9004 -13.8181 PRESSURE: 4844200 -564.786 143.503 125.012 143.501 234.552 -46.278 125.011 -46.2774 125.321 GPRESSURE: 4844200 -469.975 52.9198 133.967 166.613 230.46 -76.0759 230.481 -37.007 108.937 PRESSAVG: 4844200 61.0962 1.34523 18.3645 1.34525 -67.4522 -4.91513 18.3644 -4.915 11.026 GPRESSAVG: 4844200 60.7197 0.344306 18.6689 -1.90478 -67.475 -4.54579 20.3372 -3.37493 11.1459 TIMING: 4844200 CPU: 15360.1, 0.00315369/step Wall: 15360.1, 0.00315369/step, 0.136485 hours remaining, 241.652344 MB of memory in use. ENERGY: 4844200 3988.1573 20537.8086 14478.7047 263.8173 -204278.8001 2792.6199 0.0000 0.0000 52039.0973 -110178.5950 299.0694 -162217.6923 -109824.0554 298.0853 -68.3044 -43.5258 761301.0861 1.5567 1.4635 LDB: ============= START OF LOAD BALANCING ============== 15372.5 LDB: ============== END OF LOAD BALANCING =============== 15372.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15372.5 LDB: ============= START OF LOAD BALANCING ============== 15372.9 LDB: Largest compute 7068 load 0.033665 is 17.2% of average load 0.195630 LDB: Average compute 0.004368 is 2.2% of average load 0.195630 LDB: TIME 15372.9 LOAD: AVG 0.19563 MAX 0.215845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.066 MB LDB: TIME 15372.9 LOAD: AVG 0.19563 MAX 0.215845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.164 MB LDB: TIME 15372.9 LOAD: AVG 0.19563 MAX 0.215845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.164 MB LDB: ============== END OF LOAD BALANCING =============== 15372.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15372.9 PRESSURE: 4844400 -118.054 64.1601 -60.0984 64.1601 -38.4336 73.9209 -60.0995 73.9199 -327.792 GPRESSURE: 4844400 -114.486 128.631 -115.118 93.8082 -56.852 104.003 -15.5884 -18.5602 -237.201 PRESSAVG: 4844400 58.4629 -39.347 83.7591 -39.3471 -0.579341 13.1504 83.759 13.1503 -2.68888 GPRESSAVG: 4844400 57.0512 -38.564 82.0054 -37.7025 0.428983 12.0534 84.5141 11.9747 -2.59294 TIMING: 4844400 CPU: 15360.7, 0.00323772/step Wall: 15360.7, 0.00323772/step, 0.139941 hours remaining, 241.054688 MB of memory in use. ENERGY: 4844400 4082.1261 20540.3938 14476.8676 265.7437 -203909.3817 2550.7283 0.0000 0.0000 51769.6812 -110223.8410 297.5211 -161993.5222 -109863.1885 298.3547 -161.4267 -136.1795 758935.1915 18.3982 18.2957 PRESSURE: 4844600 -379.3 -171.434 11.4426 -171.434 -449.14 -70.9153 11.4427 -70.9163 -384.515 GPRESSURE: 4844600 -294.19 -155.227 -64.5746 -122.637 -449.471 -23.7339 -14.722 -34.6464 -387.813 PRESSAVG: 4844600 -32.8631 -30.5999 19.1103 -30.5999 -0.39166 19.5117 19.1104 19.5116 26.9148 GPRESSAVG: 4844600 -32.3073 -30.9956 19.3005 -31.1532 -0.620635 21.3637 18.7388 20.9202 26.4001 TIMING: 4844600 CPU: 15361.4, 0.00315731/step Wall: 15361.4, 0.00315731/step, 0.13629 hours remaining, 241.054688 MB of memory in use. ENERGY: 4844600 4004.4595 20383.0141 14480.9789 234.9336 -203685.1563 2506.5140 0.0000 0.0000 52005.7606 -110069.4956 298.8778 -162075.2562 -109691.7376 298.0124 -404.3182 -377.1581 759865.0542 -2.1133 -2.1759 PRESSURE: 4844800 -2.79718 113.009 91.9768 113.009 -0.348675 151.262 91.9767 151.263 -239.987 GPRESSURE: 4844800 5.64531 58.8027 52.8971 125.98 20.4066 113.82 38.1109 35.8719 -181.864 PRESSAVG: 4844800 35.7653 -37.6912 3.95925 -37.6913 -39.7005 30.708 3.9593 30.708 18.8933 GPRESSAVG: 4844800 34.9975 -38.1115 4.24493 -36.8888 -38.662 29.0597 3.46437 29.4491 19.083 TIMING: 4844800 CPU: 15362, 0.00315144/step Wall: 15362, 0.00315144/step, 0.135862 hours remaining, 241.054688 MB of memory in use. ENERGY: 4844800 4059.4682 20505.9190 14550.6726 251.4392 -203996.4689 2627.7130 0.0000 0.0000 51967.4584 -110033.7984 298.6577 -162001.2568 -109676.4586 298.2897 -81.0444 -51.9374 759400.7548 4.9860 5.1395 PRESSURE: 4845000 183.841 123.968 122.673 123.969 -185.644 -43.7199 122.673 -43.7205 300.215 GPRESSURE: 4845000 253.829 41.0974 135.781 113.136 -170.323 36.5374 69.5259 -31.8771 294.765 PRESSAVG: 4845000 90.2049 -5.4133 69.9202 -5.41327 -47.1685 -3.31202 69.9203 -3.31198 -33.1753 GPRESSAVG: 4845000 89.927 -5.00914 71.7887 -7.8462 -47.6394 -2.70897 68.7583 -1.38218 -32.7184 TIMING: 4845000 CPU: 15362.6, 0.00314474/step Wall: 15362.6, 0.00314474/step, 0.135399 hours remaining, 241.054688 MB of memory in use. ENERGY: 4845000 3956.7794 20389.1731 14504.8395 227.0258 -203848.0630 2549.4546 0.0000 0.0000 52069.4778 -110151.3128 299.2440 -162220.7906 -109788.0139 298.5367 99.4705 126.0902 758386.8420 3.2870 3.1897 PRESSURE: 4845200 -99.7839 33.0651 5.39019 33.0647 287.293 18.8286 5.39002 18.8273 40.5733 GPRESSURE: 4845200 -120.288 83.8648 34.2586 16.5032 366.276 62.737 -106.136 -117.855 75.6124 PRESSAVG: 4845200 31.4346 -31.9336 -25.0365 -31.9336 -72.6692 30.8069 -25.0366 30.8068 28.8682 GPRESSAVG: 4845200 33.0629 -32.1243 -26.7284 -31.0626 -74.1595 31.4411 -24.0352 28.4329 28.9247 TIMING: 4845200 CPU: 15363.3, 0.00315145/step Wall: 15363.3, 0.00315145/step, 0.135512 hours remaining, 241.054688 MB of memory in use. ENERGY: 4845200 3989.2918 20455.0755 14483.9764 239.0494 -203783.5396 2681.3059 0.0000 0.0000 51835.0098 -110099.8309 297.8965 -161934.8407 -109740.2505 298.2313 76.0277 107.2004 758501.7321 -4.1221 -4.0573 PRESSURE: 4845400 96.7804 100.342 358.175 100.342 175.212 155.598 358.175 155.598 381.686 GPRESSURE: 4845400 165.621 -8.40334 376.147 -33.4188 246.812 248.677 415.02 -5.37478 343.403 PRESSAVG: 4845400 62.5195 46.8765 71.0593 46.8765 -7.19683 -32.0654 71.0593 -32.0654 7.77042 GPRESSAVG: 4845400 59.6545 46.861 71.3059 47.4515 -4.48568 -32.1887 72.8604 -31.1762 7.39851 TIMING: 4845400 CPU: 15363.9, 0.00313509/step Wall: 15363.9, 0.00313509/step, 0.134635 hours remaining, 241.054688 MB of memory in use. ENERGY: 4845400 4005.2219 20418.3862 14466.2958 250.3320 -203927.4132 2833.6064 0.0000 0.0000 51937.1376 -110016.4332 298.4834 -161953.5709 -109658.2105 298.6801 217.8928 251.9454 758431.5731 21.0310 20.8558 PRESSURE: 4845600 42.0884 -72.4247 47.7125 -72.4248 134.016 -85.6586 47.7122 -85.6586 -72.9491 GPRESSURE: 4845600 172.09 120.383 32.0398 -155.543 102.15 -57.6084 48.8239 -136.018 -112.573 PRESSAVG: 4845600 -6.28399 8.91223 76.4081 8.91219 -18.6873 -29.7211 76.4082 -29.7211 7.44901 GPRESSAVG: 4845600 -3.07157 8.70271 76.5545 9.70431 -21.8848 -29.6254 74.9984 -30.5464 6.65352 TIMING: 4845600 CPU: 15364.5, 0.00314579/step Wall: 15364.5, 0.00314579/step, 0.134919 hours remaining, 241.054688 MB of memory in use. ENERGY: 4845600 3951.8476 20503.4597 14469.1017 224.2092 -203257.7117 2420.3306 0.0000 0.0000 51689.9591 -109998.8038 297.0629 -161688.7629 -109646.1936 298.2175 34.3850 53.8888 758630.4947 -5.8408 -6.1010 PRESSURE: 4845800 158.666 -158.175 22.8328 -158.174 49.6039 117.077 22.8327 117.076 143.743 GPRESSURE: 4845800 82.4869 -181.371 120.422 -236.486 137.815 179.851 162.617 -37.849 215.909 PRESSAVG: 4845800 36.651 -27.1977 -18.7238 -27.1977 -39.6294 -57.7516 -18.7238 -57.7517 9.54149 GPRESSAVG: 4845800 34.2016 -27.6425 -20.8246 -27.1538 -38.6811 -57.933 -16.892 -58.2333 10.8098 TIMING: 4845800 CPU: 15365.1, 0.00315327/step Wall: 15365.1, 0.00315327/step, 0.135065 hours remaining, 241.054688 MB of memory in use. ENERGY: 4845800 3949.5835 20473.8931 14475.9314 247.2957 -203793.3337 2811.2300 0.0000 0.0000 52016.6768 -109818.7234 298.9406 -161835.4001 -109451.2428 298.6405 117.3376 145.4038 760547.6108 2.1877 2.1101 PRESSURE: 4846000 108.09 3.49457 84.4074 3.49536 -314.374 173.691 84.408 173.692 -153.61 GPRESSURE: 4846000 133.195 22.7448 -1.08655 161.841 -216.749 165.835 50.6185 263.448 -174.904 PRESSAVG: 4846000 10.1879 -40.2434 -24.7903 -40.2434 -53.4827 -11.2818 -24.7903 -11.282 19.7001 GPRESSAVG: 4846000 10.091 -41.1857 -23.4942 -42.075 -53.3396 -10.2364 -25.1256 -9.06873 19.3774 TIMING: 4846000 CPU: 15365.8, 0.00313095/step Wall: 15365.8, 0.00313095/step, 0.133935 hours remaining, 241.054688 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: 4846000 3975.3316 20537.0984 14421.3208 225.6926 -203215.4585 2388.0539 0.0000 0.0000 51852.7218 -109815.2394 297.9983 -161667.9611 -109462.5063 299.0499 -119.9648 -86.1526 760091.7291 -7.8649 -7.9571 PRESSURE: 4846200 -104.543 253.544 123.575 253.543 -204.466 214.272 123.575 214.272 15.5654 GPRESSURE: 4846200 -107.045 243.025 71.04 106.347 -102.429 130.11 84.6163 164.801 13.9678 PRESSAVG: 4846200 22.8603 -20.2141 -39.3163 -20.2141 -81.1795 -14.0629 -39.3163 -14.0629 -4.83365 GPRESSAVG: 4846200 23.8574 -18.963 -39.4764 -20.5522 -82.0238 -14.7257 -40.6368 -14.8534 -5.29991 TIMING: 4846200 CPU: 15366.4, 0.00311529/step Wall: 15366.4, 0.00311529/step, 0.133092 hours remaining, 241.054688 MB of memory in use. ENERGY: 4846200 4027.9419 20502.3993 14433.2172 245.7866 -203769.9153 2530.4373 0.0000 0.0000 52374.9237 -109655.2092 300.9994 -162030.1329 -109288.6366 299.0429 -97.8148 -65.1686 760036.6910 -21.0509 -21.1554 PRESSURE: 4846400 -297.82 11.1419 96.0242 11.1417 147.901 -49.3727 96.0249 -49.3718 602.201 GPRESSURE: 4846400 -196.608 -63.6352 58.0406 0.679404 155.019 5.71192 33.3972 -93.6689 589.272 PRESSAVG: 4846400 34.7294 -4.96209 11.0077 -4.96219 -19.8172 -11.9445 11.0077 -11.9446 -0.211443 GPRESSAVG: 4846400 33.0857 -6.03556 9.67176 -4.50721 -19.9222 -12.1662 10.4499 -12.014 1.56159 TIMING: 4846400 CPU: 15367, 0.00312201/step Wall: 15367, 0.00312201/step, 0.133206 hours remaining, 241.054688 MB of memory in use. ENERGY: 4846400 3980.9055 20426.1687 14456.4585 247.6333 -203283.3511 2399.2033 0.0000 0.0000 52008.5278 -109764.4540 298.8937 -161772.9818 -109396.4494 299.1486 150.7605 182.5611 761510.9063 4.9003 4.9084 PRESSURE: 4846600 -27.9013 -328.217 172.176 -328.217 128.149 211.889 172.176 211.89 -55.932 GPRESSURE: 4846600 -70.7687 -193.932 93.5686 -254.526 145.811 213.801 168.926 75.4013 43.8121 PRESSAVG: 4846600 -41.8373 -7.75161 45.4257 -7.75164 26.4723 -7.98805 45.4258 -7.98803 -3.72947 GPRESSAVG: 4846600 -39.8037 -6.80214 46.5318 -8.20949 26.0827 -9.33311 48.0093 -8.66449 -5.25468 TIMING: 4846600 CPU: 15367.6, 0.0031279/step Wall: 15367.6, 0.0031279/step, 0.133283 hours remaining, 241.054688 MB of memory in use. ENERGY: 4846600 4044.0179 20416.6211 14505.0703 236.3437 -203960.1790 2723.3698 0.0000 0.0000 52109.7520 -109925.0042 299.4755 -162034.7562 -109563.6874 298.9105 14.7718 39.6181 759715.5408 -6.3648 -6.3252 PRESSURE: 4846800 -25.5102 104.828 45.0059 104.827 -26.2431 -145.184 45.0058 -145.183 -10.9563 GPRESSURE: 4846800 26.0282 38.3482 18.6012 65.2963 15.5632 -95.0117 150.146 -59.9017 -20.9803 PRESSAVG: 4846800 -18.0462 -71.1207 2.84367 -71.1207 7.77627 15.2607 2.84365 15.2607 14.3445 GPRESSAVG: 4846800 -18.9396 -73.2214 3.36478 -68.9803 8.97364 16.5563 1.01296 15.6536 14.3618 TIMING: 4846800 CPU: 15368.3, 0.00312448/step Wall: 15368.3, 0.00312448/step, 0.132964 hours remaining, 241.054688 MB of memory in use. ENERGY: 4846800 3863.3677 20505.5700 14519.4927 252.7116 -203627.3655 2600.4559 0.0000 0.0000 51888.8180 -109996.9496 298.2058 -161885.7677 -109631.4432 298.4285 -20.9032 6.8704 761532.9171 1.3582 1.4653 PRESSURE: 4847000 -207.06 -160.054 143.425 -160.054 -183.513 60.7736 143.424 60.7728 -518.82 GPRESSURE: 4847000 -120.588 -195.191 224.338 -75.4562 -170.073 22.7815 116.859 98.8305 -528.102 PRESSAVG: 4847000 -23.5779 -43.6056 -7.87593 -43.6057 16.0935 21.2405 -7.87589 21.2404 19.4293 GPRESSAVG: 4847000 -23.8608 -42.685 -7.49 -44.635 15.619 21.319 -7.49284 21.8594 20.5476 TIMING: 4847000 CPU: 15368.9, 0.00314633/step Wall: 15368.9, 0.00314632/step, 0.133719 hours remaining, 241.054688 MB of memory in use. ENERGY: 4847000 4033.4785 20583.4519 14457.4878 254.9008 -203340.1611 2291.0289 0.0000 0.0000 51968.6563 -109751.1570 298.6646 -161719.8133 -109394.5283 298.4824 -303.1312 -272.9210 761111.8135 3.9816 4.1020 PRESSURE: 4847200 -20.0855 -113.181 -177.865 -113.182 159.566 -93.0378 -177.864 -93.0367 -171.861 GPRESSURE: 4847200 51.1261 -136.322 -241.196 5.08094 262.921 -60.2408 -140.607 -20.7934 -249.517 PRESSAVG: 4847200 -17.3135 -87.3222 -27.8127 -87.3223 18.1661 5.85066 -27.8127 5.8506 -14.0068 GPRESSAVG: 4847200 -16.6837 -85.5738 -28.5112 -86.8567 18.987 6.3916 -27.8407 5.54066 -15.4544 TIMING: 4847200 CPU: 15369.5, 0.00312664/step Wall: 15369.5, 0.00312664/step, 0.132709 hours remaining, 241.054688 MB of memory in use. ENERGY: 4847200 3936.1673 20359.0947 14467.4575 241.1604 -203577.7832 2658.0011 0.0000 0.0000 51958.3563 -109957.5458 298.6054 -161915.9021 -109585.0095 298.7838 -10.7935 21.5102 759837.9837 -4.3847 -4.3837 PRESSURE: 4847400 -340.255 -6.80043 -146.116 -6.80097 -218.236 -59.6314 -146.115 -59.6303 379.33 GPRESSURE: 4847400 -258.466 -69.2524 -102.436 -36.6775 -214.769 -72.3321 -215.374 -138.714 387.842 PRESSAVG: 4847400 28.1703 -32.0096 -37.4551 -32.0096 -29.667 -25.8765 -37.455 -25.8765 15.7899 GPRESSAVG: 4847400 28.0648 -31.0734 -37.4361 -32.9135 -29.9487 -27.1019 -37.5602 -24.5864 16.0119 TIMING: 4847400 CPU: 15370.1, 0.00312665/step Wall: 15370.1, 0.00312665/step, 0.132535 hours remaining, 241.054688 MB of memory in use. ENERGY: 4847400 3921.2111 20619.1146 14474.8304 247.0406 -203572.8020 2638.3786 0.0000 0.0000 51918.4476 -109753.7792 298.3760 -161672.2268 -109402.3817 298.7498 -59.7207 -28.4641 759209.5750 4.7644 4.7093 PRESSURE: 4847600 -10.1657 164.566 -82.8395 164.567 -48.6742 -42.7091 -82.8392 -42.7093 153.828 GPRESSURE: 4847600 -59.5699 29.8874 -74.5326 166.631 15.9934 -46.8087 -135.415 -39.1661 227.171 PRESSAVG: 4847600 56.6137 -41.643 1.33118 -41.643 -32.4393 51.0015 1.33117 51.0016 -6.23578 GPRESSAVG: 4847600 55.7482 -41.6105 1.14498 -41.1444 -31.492 51.0132 3.20988 49.6532 -6.88194 TIMING: 4847600 CPU: 15370.8, 0.00311874/step Wall: 15370.8, 0.00311874/step, 0.132026 hours remaining, 241.054688 MB of memory in use. ENERGY: 4847600 3952.8525 20482.1631 14573.6771 263.9602 -203642.9693 2649.9202 0.0000 0.0000 51823.6382 -109896.7580 297.8312 -161720.3962 -109530.4891 298.5622 31.6626 61.1980 759950.6980 5.9796 5.7914 PRESSURE: 4847800 -105.746 -123.417 34.7459 -123.418 54.3446 160.361 34.7457 160.361 -211.278 GPRESSURE: 4847800 -59.8668 -251.463 -20.3428 -181.529 83.5466 5.22363 24.1431 318.36 -225.995 PRESSAVG: 4847800 -25.367 -48.4375 -90.6774 -48.4375 -6.47549 17.5702 -90.6774 17.5702 -14.4408 GPRESSAVG: 4847800 -25.5622 -48.246 -90.4192 -48.5016 -6.43595 16.4184 -92.7228 18.0481 -14.1959 TIMING: 4847800 CPU: 15371.4, 0.00313096/step Wall: 15371.4, 0.00313096/step, 0.13237 hours remaining, 241.054688 MB of memory in use. ENERGY: 4847800 3960.1605 20595.3004 14476.2602 243.7658 -203858.2748 2698.7822 0.0000 0.0000 52136.0816 -109747.9240 299.6268 -161884.0056 -109394.7321 298.5824 -87.5597 -67.4383 760882.7911 -15.4278 -15.3980 PRESSURE: 4848000 -356.896 -83.0324 -179.506 -83.0327 -47.6882 83.1928 -179.506 83.193 -328.602 GPRESSURE: 4848000 -257.099 -4.91408 -292.531 -127.111 -76.6813 99.9856 -142.765 206.056 -323.436 PRESSAVG: 4848000 7.80934 -45.6103 -23.1699 -45.6103 -10.8238 18.5715 -23.1698 18.5715 14.1086 GPRESSAVG: 4848000 7.81491 -48.3712 -24.021 -44.5997 -10.642 21.2841 -23.9565 19.034 13.7021 TIMING: 4848000 CPU: 15372, 0.00312853/step Wall: 15372, 0.00312853/step, 0.132094 hours remaining, 241.054688 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: 4848000 4032.8860 20516.0760 14392.3352 252.9412 -203330.0552 2336.6025 0.0000 0.0000 51970.0656 -109829.1487 298.6727 -161799.2143 -109458.6333 299.2034 -244.3954 -219.0720 761321.2832 3.6981 3.6250 PRESSURE: 4848200 377.353 -233.778 54.6551 -233.778 -48.6596 7.48812 54.6559 7.48825 127.619 GPRESSURE: 4848200 413.685 -172.688 54.7942 -180.898 13.1778 10.6257 101.577 161.215 111.366 PRESSAVG: 4848200 -46.3934 -68.3907 -39.9947 -68.3907 8.8941 31.0025 -39.9947 31.0026 -25.5035 GPRESSAVG: 4848200 -45.9591 -66.6569 -39.3443 -68.016 8.57015 30.6983 -38.9691 28.6866 -25.6206 TIMING: 4848200 CPU: 15372.6, 0.00313494/step Wall: 15372.6, 0.00313494/step, 0.13219 hours remaining, 241.054688 MB of memory in use. ENERGY: 4848200 4016.0881 20515.3187 14456.2166 237.8218 -203714.6648 2765.3109 0.0000 0.0000 51974.8373 -109749.0714 298.7001 -161723.9088 -109386.3821 298.5350 152.1040 179.4098 760404.6229 -21.0010 -21.0032 LDB: ============= START OF LOAD BALANCING ============== 15385.1 LDB: ============== END OF LOAD BALANCING =============== 15385.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15385.1 LDB: ============= START OF LOAD BALANCING ============== 15385.4 LDB: Largest compute 7078 load 0.030719 is 15.7% of average load 0.195540 LDB: Average compute 0.004374 is 2.2% of average load 0.195540 LDB: TIME 15385.4 LOAD: AVG 0.19554 MAX 0.216232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.094 MB LDB: TIME 15385.4 LOAD: AVG 0.19554 MAX 0.216232 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: TIME 15385.4 LOAD: AVG 0.19554 MAX 0.216232 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.098 MB LDB: ============== END OF LOAD BALANCING =============== 15385.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15385.4 PRESSURE: 4848400 180.02 262.499 -160.091 262.499 2.56168 -53.7513 -160.092 -53.751 384.268 GPRESSURE: 4848400 154.881 205.623 -147.764 183.435 59.5959 28.7942 -97.8178 -12.4604 453.462 PRESSAVG: 4848400 -15.4251 -27.185 -56.7702 -27.185 -36.8305 2.45967 -56.7703 2.45965 -3.28969 GPRESSAVG: 4848400 -15.5878 -25.9296 -57.2753 -30.2852 -37.0425 -0.0679339 -56.1742 6.0814 -2.64322 TIMING: 4848400 CPU: 15373.3, 0.00320264/step Wall: 15373.3, 0.00320264/step, 0.134867 hours remaining, 240.093750 MB of memory in use. ENERGY: 4848400 4046.4931 20554.5848 14464.0931 245.6432 -203695.4502 2727.1861 0.0000 0.0000 51982.9986 -109674.4512 298.7470 -161657.4498 -109315.2386 298.6553 188.9499 222.6463 761170.9570 -18.5151 -18.4245 PRESSURE: 4848600 18.8256 -130.632 110.456 -130.631 -101.861 -32.4173 110.456 -32.418 -251.007 GPRESSURE: 4848600 19.7592 -94.9143 19.0807 -102.161 21.314 -45.4934 96.6479 -99.1949 -282.578 PRESSAVG: 4848600 23.6942 -11.8867 -83.0322 -11.8866 22.1803 -51.9273 -83.0322 -51.9273 -9.45517 GPRESSAVG: 4848600 23.9102 -12.4181 -82.7098 -8.69198 22.4283 -49.6312 -83.5043 -53.6057 -10.1079 TIMING: 4848600 CPU: 15373.9, 0.00313006/step Wall: 15373.9, 0.00313006/step, 0.131637 hours remaining, 240.296875 MB of memory in use. ENERGY: 4848600 3971.5953 20488.5188 14472.3470 253.7197 -203422.9706 2609.0174 0.0000 0.0000 51990.8145 -109636.9578 298.7919 -161627.7723 -109270.2656 298.6175 -111.3473 -80.5015 759900.9560 12.1398 12.0769 PRESSURE: 4848800 -186.571 -284.151 -26.1792 -284.151 -20.7932 -161.296 -26.1801 -161.296 119.168 GPRESSURE: 4848800 -176.675 -275.266 -54.6977 -323.377 64.7842 -132.459 97.309 -170.798 114.432 PRESSAVG: 4848800 -26.1407 -5.39113 -26.2689 -5.39107 29.9841 16.9071 -26.2689 16.9071 9.87258 GPRESSAVG: 4848800 -26.7471 -3.93708 -25.3858 -7.14622 29.3856 17.1632 -28.1492 15.6507 10.763 TIMING: 4848800 CPU: 15374.5, 0.00313873/step Wall: 15374.5, 0.00313873/step, 0.131827 hours remaining, 240.296875 MB of memory in use. ENERGY: 4848800 3923.8181 20591.9013 14522.0454 242.0115 -203839.4385 2861.3094 0.0000 0.0000 52057.7832 -109640.5697 299.1768 -161698.3528 -109282.2481 298.8690 -29.3990 0.8470 761478.2428 4.5720 4.4672 PRESSURE: 4849000 274.897 27.1008 -200.121 27.101 -67.2652 177.704 -200.122 177.705 526.848 GPRESSURE: 4849000 285.771 44.9057 -285.998 151.064 50.4805 120.959 -237.229 66.3446 467.047 PRESSAVG: 4849000 -11.1157 -15.2897 -37.6857 -15.2897 2.91216 -52.6837 -37.6857 -52.6838 -14.742 GPRESSAVG: 4849000 -11.4578 -17.7686 -38.3367 -12.763 3.09887 -53.8234 -34.7061 -51.5411 -14.3716 TIMING: 4849000 CPU: 15375.2, 0.00313029/step Wall: 15375.2, 0.00313029/step, 0.131298 hours remaining, 240.296875 MB of memory in use. ENERGY: 4849000 4007.0704 20382.5343 14508.3105 258.0648 -203209.0259 2420.1714 0.0000 0.0000 52005.8622 -109627.0122 298.8784 -161632.8744 -109260.0137 299.0156 244.8267 267.7662 760894.5525 -7.6485 -7.5768 PRESSURE: 4849200 131.149 220.784 -24.4276 220.783 3.36239 -146.064 -24.4271 -146.064 120.551 GPRESSURE: 4849200 118.913 228.559 40.1469 149.51 42.6032 -25.104 -45.9576 -71.996 179.553 PRESSAVG: 4849200 69.8014 1.40954 -5.21406 1.40952 -35.2348 -2.99038 -5.21402 -2.99045 -9.80336 GPRESSAVG: 4849200 69.8467 2.25412 -5.39814 -0.802405 -35.7103 -3.28933 -6.4604 -0.867867 -9.45536 TIMING: 4849200 CPU: 15375.8, 0.00312446/step Wall: 15375.8, 0.00312446/step, 0.13088 hours remaining, 240.296875 MB of memory in use. ENERGY: 4849200 4048.0263 20608.6560 14500.3736 265.5836 -203405.1898 2430.4664 0.0000 0.0000 51968.1112 -109583.9726 298.6614 -161552.0838 -109224.0658 299.2015 85.0209 113.6895 760298.8273 8.2544 8.2270 PRESSURE: 4849400 124.115 257.086 -7.16419 257.086 -230.756 -123.224 -7.16336 -123.224 104.987 GPRESSURE: 4849400 50.381 244.185 30.7212 227.762 -159.264 -111.918 -41.7281 -69.7816 191.768 PRESSAVG: 4849400 -28.4878 -1.9877 -47.9768 -1.98773 -32.6897 -33.7608 -47.9768 -33.7608 12.0686 GPRESSAVG: 4849400 -28.2724 -3.20791 -46.3858 -0.111982 -32.6604 -35.1119 -48.7176 -33.2879 11.2554 TIMING: 4849400 CPU: 15376.4, 0.00314797/step Wall: 15376.4, 0.00314797/step, 0.13169 hours remaining, 240.296875 MB of memory in use. ENERGY: 4849400 4000.8292 20518.9222 14546.4003 247.8801 -203739.6773 2714.8831 0.0000 0.0000 52093.2534 -109617.5089 299.3806 -161710.7623 -109254.3510 299.1145 -0.5514 27.6283 759518.0295 -16.3696 -16.5591 PRESSURE: 4849600 241.354 -90.4701 58.4666 -90.4698 90.3976 -96.7018 58.4664 -96.7023 2.15844 GPRESSURE: 4849600 211.575 -65.6445 64.3566 -74.7885 133.15 -32.0837 -34.701 -59.1691 59.5383 PRESSAVG: 4849600 -12.768 -45.7473 -52.6235 -45.7474 -16.2402 -47.6043 -52.6235 -47.6042 -10.8563 GPRESSAVG: 4849600 -12.5938 -45.5875 -54.628 -45.967 -16.1124 -46.8988 -52.3249 -48.3555 -10.8583 TIMING: 4849600 CPU: 15377, 0.00314063/step Wall: 15377, 0.00314063/step, 0.131208 hours remaining, 240.296875 MB of memory in use. ENERGY: 4849600 4073.3338 20556.6334 14510.7978 260.3663 -203741.4670 2718.1939 0.0000 0.0000 51856.6733 -109765.4686 298.0210 -161622.1419 -109409.0408 299.2563 111.3034 134.7542 760018.1677 -13.2882 -13.1882 PRESSURE: 4849800 -106.718 -20.7696 100.956 -20.7695 -34.7134 40.5957 100.956 40.5958 -226.989 GPRESSURE: 4849800 7.02363 94.7482 96.2823 -30.8552 -50.7206 47.0435 4.91698 29.0436 -241.336 PRESSAVG: 4849800 40.5971 -38.9298 -27.4964 -38.9298 -13.7684 24.3023 -27.4964 24.3023 8.26581 GPRESSAVG: 4849800 40.6081 -38.6573 -26.1934 -40.0646 -13.8787 24.9368 -27.6022 22.7887 8.43737 TIMING: 4849800 CPU: 15377.7, 0.00313993/step Wall: 15377.7, 0.00313993/step, 0.131005 hours remaining, 240.296875 MB of memory in use. ENERGY: 4849800 4063.2508 20631.7991 14434.1768 260.4380 -203837.3638 2693.7112 0.0000 0.0000 52214.6470 -109539.3410 300.0783 -161753.9879 -109177.7474 299.0513 -122.8067 -95.0111 760530.1474 11.6982 11.7223 PRESSURE: 4850000 -168.867 -6.86442 -34.4152 -6.86478 157.982 49.5806 -34.4156 49.5809 -47.3392 GPRESSURE: 4850000 -161.746 -7.72113 -43.121 66.4279 172.388 83.8918 65.2895 88.6994 12.9828 PRESSAVG: 4850000 52.2429 9.76273 0.312133 9.76271 -83.0504 -24.7969 0.312095 -24.7968 -13.7857 GPRESSAVG: 4850000 51.993 9.79639 2.24066 12.1028 -82.4716 -23.9541 -0.735362 -24.4497 -13.9466 TIMING: 4850000 CPU: 15378.3, 0.00315399/step Wall: 15378.3, 0.00315399/step, 0.131416 hours remaining, 240.296875 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: 4850000 3934.1203 20619.7087 14517.6929 224.8297 -203174.6941 2510.7849 0.0000 0.0000 51941.9067 -109425.6510 298.5109 -161367.5577 -109067.0440 299.7682 -19.4079 7.8751 760581.0910 -14.8644 -14.8084 PRESSURE: 4850200 -57.8301 -203.613 174.537 -203.614 83.3732 -123.022 174.537 -123.022 356.313 GPRESSURE: 4850200 7.02654 -180.889 174.857 -23.6066 142.992 -68.5327 219.32 -30.1269 312.85 PRESSAVG: 4850200 -53.9099 -61.9799 -16.163 -61.98 22.37 -3.06919 -16.1629 -3.0691 9.59356 GPRESSAVG: 4850200 -52.8129 -60.203 -19.2523 -63.8874 21.3297 -3.87195 -14.8227 -3.01311 9.97087 TIMING: 4850200 CPU: 15378.9, 0.00313632/step Wall: 15378.9, 0.00313632/step, 0.130506 hours remaining, 240.296875 MB of memory in use. ENERGY: 4850200 4042.2965 20516.0723 14542.0208 258.1853 -203466.4007 2683.0852 0.0000 0.0000 51932.7496 -109491.9909 298.4582 -161424.7405 -109121.6002 299.3563 127.2853 154.2894 759246.3081 -7.3154 -7.1708 PRESSURE: 4850400 224.343 -334.356 -197.94 -334.355 -90.1326 -193.717 -197.94 -193.718 169.888 GPRESSURE: 4850400 235.709 -363.492 -198.704 -315.879 -75.5615 -301.884 -91.4202 -178.619 227.028 PRESSAVG: 4850400 29.2321 42.8608 19.1765 42.8608 -40.5155 52.9719 19.1765 52.9719 11.4032 GPRESSAVG: 4850400 27.6299 40.5054 18.1535 43.5363 -38.4257 53.1801 19.7617 56.1728 11.0657 TIMING: 4850400 CPU: 15379.6, 0.00314169/step Wall: 15379.6, 0.00314169/step, 0.130555 hours remaining, 240.296875 MB of memory in use. ENERGY: 4850400 3961.3294 20554.1132 14500.6674 252.1355 -203304.1378 2562.3956 0.0000 0.0000 52062.4132 -109411.0834 299.2034 -161473.4966 -109052.9204 299.1589 101.3662 129.0586 760413.1261 0.0399 0.0900 PRESSURE: 4850600 -137.647 -42.2074 129.822 -42.2078 -285.316 -55.9013 129.822 -55.9021 -204.785 GPRESSURE: 4850600 -60.4788 -87.2378 86.9053 32.9583 -291.863 -99.9168 116.462 6.47076 -195.57 PRESSAVG: 4850600 4.95906 -39.9907 -2.40618 -39.9908 25.0874 -2.15726 -2.40617 -2.15725 -10.8981 GPRESSAVG: 4850600 4.93711 -39.7867 0.512351 -40.2638 24.8102 -2.76946 -3.31504 -5.96846 -10.3789 TIMING: 4850600 CPU: 15380.2, 0.00314406/step Wall: 15380.2, 0.00314406/step, 0.130479 hours remaining, 240.296875 MB of memory in use. ENERGY: 4850600 4072.4106 20548.5759 14490.0718 258.4758 -203058.8067 2374.1841 0.0000 0.0000 52097.0418 -109218.0467 299.4024 -161315.0885 -108847.3846 299.4671 -209.2492 -182.6372 763549.5764 6.3828 6.4561 PRESSURE: 4850800 11.8366 -259.959 -4.57029 -259.959 83.2298 -14.0604 -4.57018 -14.0603 -74.425 GPRESSURE: 4850800 49.3478 -286.782 -2.49272 -119.076 111.123 -26.7648 -24.5234 -66.8497 -62.7454 PRESSAVG: 4850800 15.9762 -0.303117 16.2041 -0.303082 -13.5463 -6.96526 16.204 -6.96527 2.19891 GPRESSAVG: 4850800 16.9145 1.54735 14.1869 -0.726797 -14.4138 -5.97725 15.3202 -7.70871 3.14566 TIMING: 4850800 CPU: 15380.8, 0.00316295/step Wall: 15380.8, 0.00316295/step, 0.131087 hours remaining, 240.296875 MB of memory in use. ENERGY: 4850800 3898.1471 20615.9272 14484.2238 246.8963 -203431.5310 2702.1713 0.0000 0.0000 52056.7222 -109427.4431 299.1707 -161484.1653 -109073.5188 299.4895 6.8805 32.5751 761650.7678 1.5429 1.8821 PRESSURE: 4851000 140.782 125.244 -4.84211 125.244 -32.3394 59.4715 -4.84192 59.4714 18.37 GPRESSURE: 4851000 188.897 49.7179 31.0903 101.994 37.7817 -20.0628 25.6986 -34.9725 -12.9172 PRESSAVG: 4851000 -41.6727 6.76204 -20.8443 6.76203 33.1785 -35.7978 -20.8442 -35.7978 -3.66571 GPRESSAVG: 4851000 -41.1022 6.7189 -20.4521 5.84578 33.8414 -35.1492 -20.9936 -33.18 -5.55268 TIMING: 4851000 CPU: 15381.5, 0.00314751/step Wall: 15381.5, 0.00314751/step, 0.130272 hours remaining, 240.296875 MB of memory in use. ENERGY: 4851000 3983.3682 20420.0957 14547.8173 256.2646 -203174.9927 2435.6462 0.0000 0.0000 52008.9725 -109522.8282 298.8963 -161531.8007 -109165.3797 299.0714 42.2710 71.2540 760655.9754 -4.0533 -4.2711 PRESSURE: 4851200 470.518 -232.042 159.231 -232.041 76.4616 87.3507 159.23 87.3516 60.9934 GPRESSURE: 4851200 470.583 -118.736 167.725 -280.815 135.91 -4.31109 103.432 126.254 71.5305 PRESSAVG: 4851200 57.8299 -49.6606 46.7607 -49.6607 -17.0421 -49.2854 46.7607 -49.2854 2.63155 GPRESSAVG: 4851200 58.0476 -50.9217 46.4667 -50.5183 -16.4859 -50.7971 47.5493 -51.0763 1.79202 TIMING: 4851200 CPU: 15382.1, 0.00316781/step Wall: 15382.1, 0.00316781/step, 0.130936 hours remaining, 240.296875 MB of memory in use. ENERGY: 4851200 3964.9680 20418.0012 14524.4045 258.9064 -203451.1177 2601.7236 0.0000 0.0000 52116.5563 -109566.5577 299.5146 -161683.1140 -109203.2197 298.9704 202.6576 226.0079 760149.7297 14.4731 14.4512 PRESSURE: 4851400 -14.7777 22.1075 106.884 22.1078 36.5285 181.709 106.884 181.709 151.68 GPRESSURE: 4851400 45.8026 167.904 136.827 -9.36354 -9.32958 138.651 193.951 174.144 188.465 PRESSAVG: 4851400 -32.6539 -27.3989 29.3585 -27.3989 22.4837 58.2149 29.3586 58.2149 11.699 GPRESSAVG: 4851400 -33.4313 -27.5959 29.9743 -25.2241 21.8063 59.53 31.1881 60.5524 12.7776 TIMING: 4851400 CPU: 15382.7, 0.00317943/step Wall: 15382.7, 0.00317943/step, 0.13124 hours remaining, 240.296875 MB of memory in use. ENERGY: 4851400 3944.1260 20481.1733 14508.7176 275.2695 -203352.1605 2575.5228 0.0000 0.0000 52115.9695 -109451.3818 299.5112 -161567.3513 -109090.8050 298.9774 57.8104 74.9794 761203.3286 0.5096 0.3842 PRESSURE: 4851600 -79.8624 68.5812 124.662 68.5804 55.2614 -83.8725 124.662 -83.8721 -360.336 GPRESSURE: 4851600 -80.3342 197.447 143.757 82.5005 149.457 -106.365 37.2645 -16.7366 -352.652 PRESSAVG: 4851600 13.5284 -14.8863 -0.702844 -14.8863 -13.6579 -16.9764 -0.70286 -16.9764 -16.7212 GPRESSAVG: 4851600 12.4927 -15.3489 -1.43446 -15.9977 -13.7492 -16.6253 -2.06659 -19.4277 -15.2111 TIMING: 4851600 CPU: 15383.4, 0.00315011/step Wall: 15383.4, 0.00315011/step, 0.129855 hours remaining, 240.296875 MB of memory in use. ENERGY: 4851600 3951.2133 20466.2540 14492.6014 282.0087 -203538.6301 2633.9536 0.0000 0.0000 52240.8556 -109471.7435 300.2289 -161712.5992 -109123.2985 299.6945 -128.3124 -94.5097 761538.1993 -5.6169 -5.4892 PRESSURE: 4851800 75.6242 18.221 -0.908393 18.2204 -81.7046 296.032 -0.908047 296.031 81.9735 GPRESSURE: 4851800 120.007 -58.2297 45.2337 91.55 -44.4249 279.194 -80.9227 143.778 85.0396 PRESSAVG: 4851800 58.9294 -48.3848 31.5595 -48.3848 -39.5605 -25.4626 31.5594 -25.4626 -10.1896 GPRESSAVG: 4851800 60.1061 -49.3601 31.6594 -50.7004 -39.9978 -25.8902 32.4546 -23.0039 -10.4928 TIMING: 4851800 CPU: 15384, 0.00314129/step Wall: 15384, 0.00314129/step, 0.129316 hours remaining, 240.296875 MB of memory in use. ENERGY: 4851800 3991.1406 20469.5078 14469.5626 261.4933 -203276.8221 2642.2251 0.0000 0.0000 52198.3410 -109244.5516 299.9846 -161442.8926 -108881.0695 299.3408 25.2977 53.5405 761018.7639 3.0598 3.2052 PRESSURE: 4852000 -415.787 18.3924 -49.8067 18.393 -54.6017 137.728 -49.8061 137.728 167.332 GPRESSURE: 4852000 -361.823 -57.5403 -155.447 -80.9997 -4.29157 156.025 -55.5811 116.094 136.79 PRESSAVG: 4852000 -4.54995 -60.9083 43.5712 -60.9083 -1.89787 24.8841 43.5712 24.884 13.9363 GPRESSAVG: 4852000 -4.43131 -60.0449 43.5922 -61.6465 -0.69178 25.2437 42.9761 22.7425 12.6841 TIMING: 4852000 CPU: 15384.6, 0.0031286/step Wall: 15384.6, 0.0031286/step, 0.12862 hours remaining, 240.296875 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: 4852000 3998.3153 20419.2516 14472.3550 257.5809 -203048.2139 2380.4954 0.0000 0.0000 52213.9303 -109306.2854 300.0742 -161520.2157 -108950.3241 299.1309 -101.0191 -76.4415 761838.5247 2.4962 2.5203 PRESSURE: 4852200 -84.2381 -39.6433 51.5919 -39.6423 -399.763 -250.155 51.5922 -250.155 90.2218 GPRESSURE: 4852200 -63.6122 -79.1622 98.7404 11.0239 -274.274 -291.66 81.555 -75.9951 34.4985 PRESSAVG: 4852200 30.57 7.79998 37.5291 7.79999 -3.02907 -58.9949 37.5291 -58.9949 11.0015 GPRESSAVG: 4852200 31.0814 6.66512 38.1434 10.9208 -3.50313 -58.3554 38.2151 -56.6429 10.7722 TIMING: 4852200 CPU: 15385.2, 0.00311594/step Wall: 15385.2, 0.00311594/step, 0.127926 hours remaining, 240.296875 MB of memory in use. ENERGY: 4852200 3936.2247 20411.6062 14523.6169 234.0539 -203062.1539 2551.6705 0.0000 0.0000 52040.2697 -109364.7121 299.0761 -161404.9818 -108989.2245 299.1808 -131.2597 -101.1294 761772.3277 12.8475 12.7835 LDB: ============= START OF LOAD BALANCING ============== 15397.7 LDB: ============== END OF LOAD BALANCING =============== 15397.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15397.7 LDB: ============= START OF LOAD BALANCING ============== 15398 LDB: Largest compute 7078 load 0.031932 is 16.3% of average load 0.195650 LDB: Average compute 0.004367 is 2.2% of average load 0.195650 LDB: TIME 15398 LOAD: AVG 0.19565 MAX 0.217233 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.637 MB LDB: TIME 15398 LOAD: AVG 0.19565 MAX 0.217233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: TIME 15398 LOAD: AVG 0.19565 MAX 0.217233 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: ============== END OF LOAD BALANCING =============== 15398 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15398 PRESSURE: 4852400 -376.763 -234.338 24.092 -234.338 74.7308 -273.824 24.0919 -273.825 49.9563 GPRESSURE: 4852400 -297.655 -301.128 52.0339 -112.634 135.516 -212.313 92.9042 -255.236 5.46911 PRESSAVG: 4852400 6.56472 -0.519403 -32.3892 -0.519478 -0.627457 -37.1108 -32.3892 -37.1108 -15.6768 GPRESSAVG: 4852400 5.59284 0.170731 -31.6208 -2.16122 1.05708 -38.5781 -33.3904 -37.4206 -15.9151 TIMING: 4852400 CPU: 15385.9, 0.0032148/step Wall: 15385.9, 0.0032148/step, 0.131807 hours remaining, 240.039062 MB of memory in use. ENERGY: 4852400 3893.3264 20520.4272 14410.8261 252.7529 -203384.6915 2721.4549 0.0000 0.0000 52197.2634 -109388.6407 299.9784 -161585.9040 -109035.2698 299.2896 -84.0253 -52.2234 763119.0693 -3.2465 -3.0884 PRESSURE: 4852600 169.72 164.129 50.7633 164.128 -63.9912 105.775 50.763 105.776 115.132 GPRESSURE: 4852600 160.261 134.697 106.382 73.1979 -61.1784 146.587 -7.78621 51.8701 197.92 PRESSAVG: 4852600 22.8385 -44.5815 13.5436 -44.5814 -8.29682 13.7694 13.5437 13.7694 9.45202 GPRESSAVG: 4852600 22.7047 -44.1197 12.4429 -42.7354 -9.98075 15.2574 14.336 12.8281 10.8185 TIMING: 4852600 CPU: 15386.5, 0.00315138/step Wall: 15386.5, 0.00315138/step, 0.129031 hours remaining, 240.039062 MB of memory in use. ENERGY: 4852600 3984.3675 20421.4359 14436.2935 234.6662 -203169.8556 2412.5608 0.0000 0.0000 52080.5952 -109599.9364 299.3079 -161680.5316 -109233.8320 298.8994 73.6204 99.0006 761798.0303 7.9979 7.8475 PRESSURE: 4852800 3.00542 -217.263 50.5461 -217.263 -11.1623 112.987 50.5462 112.987 -418.116 GPRESSURE: 4852800 83.0124 -250.411 -35.6991 -280.471 -41.0729 135.019 112.555 249.169 -415.841 PRESSAVG: 4852800 25.8369 -63.8861 -38.2915 -63.8861 -12.6934 9.34052 -38.2915 9.34053 5.3952 GPRESSAVG: 4852800 27.031 -64.5591 -37.4914 -65.0826 -13.4172 7.81061 -40.1833 11.3875 4.79087 TIMING: 4852800 CPU: 15387.1, 0.00314071/step Wall: 15387.1, 0.00314071/step, 0.12842 hours remaining, 240.039062 MB of memory in use. ENERGY: 4852800 3968.2818 20435.5881 14509.1905 240.3182 -203312.2789 2424.0273 0.0000 0.0000 52092.0033 -109642.8697 299.3735 -161734.8730 -109278.0168 298.7085 -142.0908 -124.6339 762495.0532 6.1795 6.1349 PRESSURE: 4853000 -203.857 143.825 259.945 143.825 -158.94 45.2257 259.945 45.2265 224.252 GPRESSURE: 4853000 -99.3229 120.554 172.638 106.318 -198.99 9.28062 336.599 -15.1628 232.479 PRESSAVG: 4853000 48.2811 -39.6545 39.3048 -39.6545 -3.1082 30.2663 39.3049 30.2663 8.75122 GPRESSAVG: 4853000 47.9087 -39.8007 40.5894 -40.7349 -2.63234 31.2469 39.7369 28.8339 9.07974 TIMING: 4853000 CPU: 15387.8, 0.00315077/step Wall: 15387.8, 0.00315077/step, 0.128657 hours remaining, 240.039062 MB of memory in use. ENERGY: 4853000 3992.3223 20299.4577 14499.8971 239.4021 -202889.7838 2254.5153 0.0000 0.0000 52006.4117 -109597.7775 298.8816 -161604.1892 -109228.8011 299.2178 -46.1816 -21.9447 759810.1384 17.9747 18.1187 PRESSURE: 4853200 217.919 140.563 -36.9216 140.563 -37.1221 39.9214 -36.9227 39.9214 -157.683 GPRESSURE: 4853200 268.494 121.676 -72.0676 156.984 -17.3956 53.3694 41.243 55.2202 -151.906 PRESSAVG: 4853200 25.4811 -18.2417 -31.6461 -18.2416 24.577 -0.465939 -31.6461 -0.465975 -11.0834 GPRESSAVG: 4853200 25.4764 -18.238 -32.6799 -16.3441 25.4576 0.426951 -29.285 -2.48529 -11.5056 TIMING: 4853200 CPU: 15388.4, 0.00314992/step Wall: 15388.4, 0.00314992/step, 0.128447 hours remaining, 240.039062 MB of memory in use. ENERGY: 4853200 3970.1881 20458.0236 14437.5886 259.5594 -203204.1273 2383.1214 0.0000 0.0000 51976.8678 -109718.7785 298.7118 -161695.6463 -109360.6227 298.9702 7.7048 33.0643 759739.0829 12.9915 13.1428 PRESSURE: 4853400 178.25 -24.589 -165.965 -24.5898 -255.276 -24.2272 -165.966 -24.226 152.546 GPRESSURE: 4853400 278.221 -49.8093 -163.526 56.6021 -197.776 -80.86 -150.269 23.4304 77.9364 PRESSAVG: 4853400 -29.0844 -19.8226 41.4145 -19.8226 41.0282 10.7548 41.4145 10.7548 7.53728 GPRESSAVG: 4853400 -28.319 -19.1912 40.4413 -21.2617 41.2029 10.6762 41.6121 10.403 6.66946 TIMING: 4853400 CPU: 15389, 0.0031351/step Wall: 15389, 0.0031351/step, 0.127668 hours remaining, 240.039062 MB of memory in use. ENERGY: 4853400 3912.8521 20358.2231 14448.4687 243.9988 -203078.5837 2318.0246 0.0000 0.0000 52065.1124 -109731.9040 299.2189 -161797.0164 -109366.0577 298.6540 25.1735 52.7939 759206.5922 6.4937 6.5178 PRESSURE: 4853600 34.729 185.56 -93.2027 185.56 -149.936 412.441 -93.2025 412.441 -38.7777 GPRESSURE: 4853600 60.5505 153.728 -93.1299 260.637 -161.501 307.607 -199.819 387.034 23.2663 PRESSAVG: 4853600 16.6161 -30.5727 34.024 -30.5727 -18.5594 -3.32622 34.024 -3.32621 31.4851 GPRESSAVG: 4853600 15.6272 -29.981 35.2367 -28.6612 -18.069 -4.79388 33.554 -1.02622 32.3205 TIMING: 4853600 CPU: 15389.6, 0.00313418/step Wall: 15389.6, 0.00313418/step, 0.127457 hours remaining, 240.039062 MB of memory in use. ENERGY: 4853600 4030.3534 20536.4422 14442.9901 243.4570 -203403.7995 2632.6398 0.0000 0.0000 51904.9824 -109612.9347 298.2986 -161517.9171 -109255.8394 298.6750 -51.3282 -25.8948 760205.7814 9.8473 9.9596 PRESSURE: 4853800 -247.462 54.3488 206.56 54.349 -25.495 -201.89 206.561 -201.891 -222.544 GPRESSURE: 4853800 -176.978 65.015 163.994 -19.4429 -34.3653 -68.9148 119.021 -190.797 -201.97 PRESSAVG: 4853800 16.9463 -31.6299 5.97948 -31.6299 -10.4209 -4.51547 5.97949 -4.51545 -7.0895 GPRESSAVG: 4853800 17.6087 -33.0276 6.69155 -32.5577 -11.691 -3.26189 4.89136 -5.33157 -7.01665 TIMING: 4853800 CPU: 15390.3, 0.00315158/step Wall: 15390.3, 0.00315158/step, 0.127989 hours remaining, 240.039062 MB of memory in use. ENERGY: 4853800 4015.6273 20395.5620 14442.4599 252.1784 -203319.1659 2303.2785 0.0000 0.0000 52360.1620 -109549.8979 300.9146 -161910.0599 -109186.1540 299.7353 -165.1672 -137.7712 759034.8107 -0.1880 -0.3663 PRESSURE: 4854000 -66.7295 41.1788 -246.184 41.1787 -232.256 -47.7822 -246.183 -47.7828 -222.879 GPRESSURE: 4854000 -46.3431 -25.2925 -270.445 -15.2457 -153.109 -87.6255 -89.8825 -29.4873 -236.59 PRESSAVG: 4854000 -31.6193 -56.263 -23.2772 -56.263 -17.0952 19.5077 -23.2772 19.5077 1.94959 GPRESSAVG: 4854000 -32.3391 -54.4718 -24.6582 -57.7667 -16.5887 19.5294 -22.3808 18.5593 1.82236 TIMING: 4854000 CPU: 15390.9, 0.00315461/step Wall: 15390.9, 0.00315461/step, 0.127937 hours remaining, 240.039062 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: 4854000 4017.3914 20342.0414 14448.0861 249.4496 -203035.3302 2245.8902 0.0000 0.0000 52016.8281 -109715.6435 298.9414 -161732.4716 -109363.5697 299.5157 -173.9549 -145.3474 759450.1866 -15.5883 -15.7018 PRESSURE: 4854200 501.587 -33.4868 -176.996 -33.487 -37.4332 -63.9937 -176.996 -63.9941 -248.472 GPRESSURE: 4854200 493.488 49.1692 -205.278 79.1113 81.8825 -24.6728 14.8281 -92.5202 -285.128 PRESSAVG: 4854200 51.383 -37.027 5.80372 -37.027 -64.309 37.9271 5.80368 37.9271 -12.3981 GPRESSAVG: 4854200 52.4838 -38.3511 6.27345 -35.1743 -66.0001 37.0873 7.28989 39.0319 -11.8801 TIMING: 4854200 CPU: 15391.5, 0.00312962/step Wall: 15391.5, 0.00312962/step, 0.126749 hours remaining, 240.039062 MB of memory in use. ENERGY: 4854200 3957.9941 20617.8164 14399.4824 248.2914 -203946.8892 2919.5146 0.0000 0.0000 51931.1000 -109872.6903 298.4487 -161803.7903 -109523.4813 298.6111 71.8938 96.7476 759622.8631 -8.4414 -8.4655 PRESSURE: 4854400 153.695 45.3426 -65.5576 45.3437 161.631 -212.442 -65.557 -212.442 70.0508 GPRESSURE: 4854400 181.229 -21.3546 -94.0551 96.4248 151.005 -249.333 -63.0811 -73.5269 122.88 PRESSAVG: 4854400 2.52742 -19.5826 -40.7961 -19.5827 28.2422 -9.78861 -40.7961 -9.78864 -4.88658 GPRESSAVG: 4854400 1.78579 -19.4562 -38.7977 -20.5145 29.7032 -9.21929 -42.3562 -9.52059 -5.77381 TIMING: 4854400 CPU: 15392.2, 0.00314485/step Wall: 15392.2, 0.00314485/step, 0.127192 hours remaining, 240.039062 MB of memory in use. ENERGY: 4854400 4005.7707 20580.5833 14408.2233 256.8989 -203861.0444 2829.9132 0.0000 0.0000 51683.2800 -110096.3749 297.0245 -161779.6549 -109754.8709 298.6426 128.4588 151.7047 759987.7414 8.6277 8.5717 PRESSURE: 4854600 26.558 -215.786 -8.31922 -215.787 226.68 257.903 -8.31994 257.902 10.3604 GPRESSURE: 4854600 143.091 -250.316 -70.856 -141.634 186.459 255.375 61.372 232.578 23.4448 PRESSAVG: 4854600 39.9903 -41.7077 -62.3362 -41.7076 -1.20748 23.4152 -62.3361 23.4152 4.21439 GPRESSAVG: 4854600 39.7142 -41.628 -64.1216 -40.5332 -0.525224 23.7761 -62.1428 23.2083 3.29871 TIMING: 4854600 CPU: 15392.8, 0.00312803/step Wall: 15392.8, 0.00312803/step, 0.126338 hours remaining, 240.039062 MB of memory in use. ENERGY: 4854600 3930.9757 20419.7040 14455.6102 261.8034 -203421.1357 2535.8651 0.0000 0.0000 51617.3232 -110199.8541 296.6455 -161817.1773 -109846.3372 298.0203 87.8660 117.6648 761188.3348 14.3324 14.1626 PRESSURE: 4854800 -259.403 -213.244 -60.339 -213.244 -44.1199 152.616 -60.3385 152.616 -136.546 GPRESSURE: 4854800 -214.764 -171.2 -76.5169 -200.399 -13.0381 134.003 -35.5193 20.5069 -127.656 PRESSAVG: 4854800 -13.1468 -40.8861 21.239 -40.8861 -36.5656 4.89469 21.2391 4.89475 -8.2142 GPRESSAVG: 4854800 -13.6295 -42.8693 19.2616 -40.0077 -37.0373 2.7255 23.0729 3.62863 -7.34365 TIMING: 4854800 CPU: 15393.4, 0.00314128/step Wall: 15393.4, 0.00314128/step, 0.126698 hours remaining, 240.039062 MB of memory in use. ENERGY: 4854800 3936.5693 20360.6326 14402.7463 244.4876 -203581.4965 2382.0101 0.0000 0.0000 52092.9456 -110162.1050 299.3789 -162255.0506 -109801.0034 297.9300 -146.6895 -118.4859 760551.6907 -19.3089 -19.3368 PRESSURE: 4855000 -138.771 -235.984 -64.573 -235.984 -50.5494 37.1702 -64.5743 37.1708 -604.242 GPRESSURE: 4855000 -266.836 -230.179 -83.9682 -282.051 31.1505 47.989 -43.6865 -112.821 -455.283 PRESSAVG: 4855000 36.6302 -68.1805 -28.6327 -68.1805 -3.40296 8.94044 -28.6327 8.94041 -3.75471 GPRESSAVG: 4855000 36.546 -64.587 -26.8306 -69.3034 -4.19108 9.18768 -31.8087 8.96994 -2.50706 TIMING: 4855000 CPU: 15394, 0.00312715/step Wall: 15394, 0.00312715/step, 0.125955 hours remaining, 240.164062 MB of memory in use. ENERGY: 4855000 3920.0419 20457.6439 14410.3504 248.9254 -203456.5086 2236.9215 0.0000 0.0000 51850.3925 -110332.2330 297.9849 -162182.6255 -109957.5965 297.8403 -264.5207 -230.3228 760162.5404 9.8242 9.9493 PRESSURE: 4855200 33.705 -145.89 -89.3509 -145.89 445.021 -13.1925 -89.3515 -13.1925 21.4376 GPRESSURE: 4855200 153.782 -267.997 -41.2677 -47.7632 417.977 13.7287 -79.0289 -7.17796 31.6974 PRESSAVG: 4855200 12.3985 -65.0996 17.3228 -65.0996 -57.7742 15.4997 17.3227 15.4997 -7.77766 GPRESSAVG: 4855200 13.9747 -68.0742 16.2859 -64.7138 -57.8907 16.4058 17.3152 15.917 -9.34543 TIMING: 4855200 CPU: 15394.7, 0.0031459/step Wall: 15394.7, 0.0031459/step, 0.126535 hours remaining, 240.164062 MB of memory in use. ENERGY: 4855200 3873.7006 20475.3236 14429.8601 257.9974 -203656.5492 2627.3340 0.0000 0.0000 51932.5334 -110059.8000 298.4570 -161992.3334 -109701.6411 298.0497 166.7213 201.1520 758564.7396 -17.7178 -17.7538 PRESSURE: 4855400 -257.463 -35.0776 0.496147 -35.0769 -317.392 -89.3744 0.495585 -89.3745 -231.118 GPRESSURE: 4855400 -156.297 -2.50524 33.7878 -66.7362 -335.521 -123.763 -63.538 -94.1528 -219.057 PRESSAVG: 4855400 45.1358 -68.9943 -45.3607 -68.9943 -39.6468 -9.26922 -45.3606 -9.26911 17.0897 GPRESSAVG: 4855400 44.0285 -67.6654 -43.3349 -69.755 -39.473 -10.4312 -44.6646 -10.0314 17.9626 TIMING: 4855400 CPU: 15395.3, 0.00314373/step Wall: 15395.3, 0.00314373/step, 0.126273 hours remaining, 240.164062 MB of memory in use. ENERGY: 4855400 3950.8738 20483.1726 14502.5695 250.2757 -203923.8142 2693.4949 0.0000 0.0000 51844.7343 -110198.6932 297.9524 -162043.4275 -109827.8550 297.9314 -268.6578 -236.9581 760001.8102 7.5262 7.5060 PRESSURE: 4855600 81.8374 -43.2738 -66.3112 -43.2745 -135.323 -126.969 -66.3121 -126.969 -434.259 GPRESSURE: 4855600 104.954 -142.472 -70.6888 -127.034 -22.9394 -119.71 41.112 -90.8288 -502.787 PRESSAVG: 4855600 29.8489 -87.2834 19.58 -87.2834 11.9216 -33.4822 19.58 -33.4821 7.34978 GPRESSAVG: 4855600 29.3545 -87.4951 17.93 -87.0542 12.6688 -31.0142 21.2 -32.9608 6.99371 TIMING: 4855600 CPU: 15395.9, 0.00313443/step Wall: 15395.9, 0.00313443/step, 0.125726 hours remaining, 240.164062 MB of memory in use. ENERGY: 4855600 3968.9324 20423.1749 14436.4520 244.1177 -203539.0101 2389.3181 0.0000 0.0000 51944.5412 -110132.4739 298.5260 -162077.0151 -109752.1732 298.0756 -162.5816 -140.2574 760555.3387 16.3735 16.3390 PRESSURE: 4855800 96.3371 -51.5197 70.1316 -51.5189 267.937 43.131 70.1312 43.1306 79.4901 GPRESSURE: 4855800 45.2623 -88.1902 101.971 -19.187 260.123 -23.0517 61.5669 64.4851 213.968 PRESSAVG: 4855800 -60.1382 -19.9069 43.7313 -19.9069 89.6032 5.79348 43.7312 5.79348 -43.6161 GPRESSAVG: 4855800 -60.1118 -20.7572 44.5315 -20.7195 88.1462 4.12177 40.2486 6.23284 -42.6998 TIMING: 4855800 CPU: 15396.6, 0.0031384/step Wall: 15396.6, 0.0031384/step, 0.12571 hours remaining, 240.164062 MB of memory in use. ENERGY: 4855800 3881.7103 20433.7372 14411.6062 258.5680 -203690.0474 2505.6619 0.0000 0.0000 51949.6475 -110249.1162 298.5553 -162198.7637 -109898.8224 297.8506 147.9215 173.1176 758244.7567 -4.7170 -4.8885 PRESSURE: 4856000 -23.1986 71.3132 103.19 71.3127 -47.995 96.6046 103.19 96.6033 299.855 GPRESSURE: 4856000 69.7097 23.6536 82.3724 0.924954 -27.7125 28.3005 85.2168 112.154 274.496 PRESSAVG: 4856000 -31.7703 0.322323 0.185368 0.322319 8.88345 26.967 0.185368 26.9671 7.90101 GPRESSAVG: 4856000 -29.8881 0.486163 -0.532182 1.65826 9.36798 25.9601 1.65326 27.8845 5.90653 TIMING: 4856000 CPU: 15397.2, 0.00311955/step Wall: 15397.2, 0.00311955/step, 0.124782 hours remaining, 240.164062 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: 4856000 3960.7971 20360.6708 14501.8811 245.0850 -203633.8817 2629.8084 0.0000 0.0000 51734.5694 -110201.0699 297.3193 -161935.6393 -109849.6161 297.5692 76.2205 105.4977 760005.8356 -4.9953 -4.8712 PRESSURE: 4856200 -285.384 -59.7006 -23.5192 -59.7014 -52.8326 -235.984 -23.5187 -235.985 -189.407 GPRESSURE: 4856200 -165.69 -104.075 87.9745 -127.435 -15.4603 -340.464 -202.205 -225.962 -241.891 PRESSAVG: 4856200 40.1418 -46.6321 -12.6294 -46.6321 -27.2786 27.8726 -12.6294 27.8727 -13.0278 GPRESSAVG: 4856200 39.3072 -47.7962 -11.0986 -46.475 -27.41 27.9145 -14.0348 28.4555 -12.1247 TIMING: 4856200 CPU: 15397.8, 0.00313645/step Wall: 15397.8, 0.00313645/step, 0.125284 hours remaining, 240.164062 MB of memory in use. ENERGY: 4856200 4061.7843 20643.8973 14498.4168 251.1088 -203673.6951 2574.6107 0.0000 0.0000 51784.3442 -109859.5330 297.6053 -161643.8772 -109508.0340 298.5119 -175.8743 -141.0136 759894.4604 -0.0549 -0.0758 LDB: ============= START OF LOAD BALANCING ============== 15410.3 LDB: ============== END OF LOAD BALANCING =============== 15410.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15410.3 LDB: ============= START OF LOAD BALANCING ============== 15410.6 LDB: Largest compute 7068 load 0.034653 is 17.7% of average load 0.195558 LDB: Average compute 0.004362 is 2.2% of average load 0.195558 LDB: TIME 15410.6 LOAD: AVG 0.195558 MAX 0.218901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.957 MB LDB: TIME 15410.6 LOAD: AVG 0.195558 MAX 0.218901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.164 MB LDB: TIME 15410.6 LOAD: AVG 0.195558 MAX 0.215797 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.164 MB LDB: ============== END OF LOAD BALANCING =============== 15410.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15410.6 PRESSURE: 4856400 -125.958 -79.1549 233.885 -79.1546 48.9797 -76.9113 233.884 -76.9116 243.524 GPRESSURE: 4856400 8.48685 -92.0507 141.146 -90.8938 16.5391 -119.941 141.477 -99.8969 248.8 PRESSAVG: 4856400 -13.8483 -31.9828 10.7349 -31.9828 8.55182 -19.5649 10.7349 -19.5648 -5.13147 GPRESSAVG: 4856400 -12.8943 -31.1726 8.99574 -33.6038 8.02869 -19.0197 11.1648 -21.3395 -5.3611 TIMING: 4856400 CPU: 15398.4, 0.0032079/step Wall: 15398.4, 0.0032079/step, 0.12796 hours remaining, 240.867188 MB of memory in use. ENERGY: 4856400 3994.5954 20540.4955 14517.4665 249.1773 -203737.2268 2788.4015 0.0000 0.0000 51837.5632 -109809.5274 297.9112 -161647.0906 -109441.3170 298.9427 55.5154 91.2754 761080.1743 -3.4760 -3.4089 PRESSURE: 4856600 -409.086 61.7824 -86.956 61.7822 -99.2329 -54.9258 -86.9553 -54.9264 -202.769 GPRESSURE: 4856600 -333.459 21.7866 -52.0463 47.7854 -69.871 -30.5656 -75.2244 -39.5902 -207.083 PRESSAVG: 4856600 55.815 -26.9058 5.89271 -26.9057 -30.3748 -31.0922 5.89267 -31.0922 -4.80145 GPRESSAVG: 4856600 55.2084 -25.8499 5.54952 -26.0438 -30.8075 -32.2975 7.64807 -31.5955 -3.9171 TIMING: 4856600 CPU: 15399.1, 0.00317453/step Wall: 15399.1, 0.00317453/step, 0.126452 hours remaining, 240.933594 MB of memory in use. ENERGY: 4856600 4054.4859 20512.8124 14538.3273 217.4593 -203148.7942 2328.1022 0.0000 0.0000 51935.8080 -109561.7990 298.4758 -161497.6070 -109201.6325 299.2799 -237.0292 -203.4709 761404.9554 6.8796 6.8279 PRESSURE: 4856800 6.27838 -79.9521 -18.0924 -79.9517 -96.2121 -24.3207 -18.0924 -24.3213 -50.6449 GPRESSURE: 4856800 0.370309 -20.3965 -26.5359 -54.2732 -63.3945 -30.2858 -8.81384 -86.1092 3.11409 PRESSAVG: 4856800 68.9006 -67.3383 -3.36064 -67.3383 -71.7296 54.5071 -3.36068 54.5071 -30.5932 GPRESSAVG: 4856800 68.9958 -68.2564 -2.96166 -65.82 -71.7056 55.185 -1.79026 56.6655 -30.8847 TIMING: 4856800 CPU: 15399.7, 0.00315571/step Wall: 15399.7, 0.00315571/step, 0.125527 hours remaining, 240.933594 MB of memory in use. ENERGY: 4856800 3959.2146 20655.8468 14466.3390 230.8863 -203258.5103 2598.3306 0.0000 0.0000 52071.1248 -109276.7681 299.2535 -161347.8929 -108923.7813 299.8509 -46.8595 -19.9700 762442.9047 -11.1407 -11.1982 PRESSURE: 4857000 124.875 -168.875 69.1055 -168.876 -145.628 81.8109 69.106 81.8111 212.148 GPRESSURE: 4857000 174.823 -135.178 69.3214 -154.422 -95.9632 119.056 142.582 271.085 190.15 PRESSAVG: 4857000 46.3402 -22.8845 8.76054 -22.8845 -14.6658 4.78976 8.76057 4.78981 26.0807 GPRESSAVG: 4857000 45.5998 -21.026 8.47674 -24.8589 -13.3692 5.67763 7.47989 3.49485 25.8274 TIMING: 4857000 CPU: 15400.3, 0.00313919/step Wall: 15400.3, 0.00313919/step, 0.124696 hours remaining, 240.933594 MB of memory in use. ENERGY: 4857000 4076.1372 20586.0903 14397.7304 242.1375 -203841.9152 2834.6789 0.0000 0.0000 52253.4516 -109451.6894 300.3013 -161705.1410 -109088.1769 299.7671 63.7986 89.6697 760163.6823 19.2517 19.3527 PRESSURE: 4857200 -0.23716 -75.5576 42.2414 -75.5576 -80.12 18.367 42.2416 18.3664 -334.841 GPRESSURE: 4857200 68.6934 -85.7858 48.9769 -162.831 -107.354 25.9534 -68.934 -176.618 -297.271 PRESSAVG: 4857200 54.5891 -21.7284 15.6664 -21.7284 -54.533 -38.5218 15.6663 -38.5219 25.2656 GPRESSAVG: 4857200 55.9165 -22.5563 17.1277 -21.9022 -55.4992 -38.4749 14.9927 -37.7644 24.6434 TIMING: 4857200 CPU: 15401, 0.00316315/step Wall: 15401, 0.00316315/step, 0.125472 hours remaining, 240.933594 MB of memory in use. ENERGY: 4857200 3955.7340 20577.1613 14401.6124 256.6124 -203018.0889 2326.1765 0.0000 0.0000 52118.7540 -109382.0384 299.5272 -161500.7924 -109017.9678 299.6025 -138.3994 -111.9773 762310.8016 8.4406 8.3536 PRESSURE: 4857400 208.366 -70.6795 188.123 -70.68 -3.99181 82.3917 188.123 82.3919 141.495 GPRESSURE: 4857400 109.232 -109.427 95.9177 -35.4927 118.572 124.632 109.471 139.822 200.787 PRESSAVG: 4857400 25.8717 -72.6837 -29.628 -72.6837 2.32565 -1.17296 -29.6281 -1.17299 13.5724 GPRESSAVG: 4857400 26.0823 -73.026 -30.1405 -74.0489 3.03697 0.176103 -29.3299 -3.276 13.0418 TIMING: 4857400 CPU: 15401.6, 0.00315515/step Wall: 15401.6, 0.00315515/step, 0.124979 hours remaining, 240.933594 MB of memory in use. ENERGY: 4857400 3891.3269 20570.8039 14468.7445 239.9230 -203433.6660 2834.9689 0.0000 0.0000 52230.2143 -109197.6844 300.1678 -161427.8988 -108828.1463 300.3713 115.2896 142.8635 759679.1323 13.9232 14.0537 PRESSURE: 4857600 -438.798 2.72754 203.152 2.72727 -348.578 61.2381 203.152 61.2387 -214.906 GPRESSURE: 4857600 -402.137 -92.5371 186.656 86.3636 -289.406 64.3968 267.655 -72.5188 -220.332 PRESSAVG: 4857600 47.7951 -75.817 30.0391 -75.8169 -32.9673 19.8467 30.0391 19.8467 -1.61585 GPRESSAVG: 4857600 44.7203 -74.8414 28.5396 -75.4474 -30.9802 19.9972 29.1923 21.9205 -0.275113 TIMING: 4857600 CPU: 15402.2, 0.00312641/step Wall: 15402.2, 0.00312641/step, 0.123667 hours remaining, 240.933594 MB of memory in use. ENERGY: 4857600 3922.8390 20557.9933 14525.1866 231.9050 -203099.5417 2299.8658 0.0000 0.0000 52180.3114 -109381.4406 299.8810 -161561.7519 -109021.4193 300.0734 -334.0940 -303.9585 761571.0577 4.4040 4.4883 PRESSURE: 4857800 355.511 104.04 -195.109 104.04 18.8116 -162.912 -195.108 -162.912 222.233 GPRESSURE: 4857800 424.391 51.8458 -238.271 49.6375 49.7076 -201.145 -103.152 -78.4907 210.508 PRESSAVG: 4857800 -22.4719 -3.06797 -15.9499 -3.06804 1.67125 -89.1194 -15.95 -89.1192 -15.3474 GPRESSAVG: 4857800 -20.5027 -2.96441 -15.5817 -2.15375 -0.435291 -91.4999 -14.1005 -89.4795 -15.4787 TIMING: 4857800 CPU: 15402.9, 0.00311758/step Wall: 15402.9, 0.00311758/step, 0.123144 hours remaining, 240.933594 MB of memory in use. ENERGY: 4857800 4027.3649 20609.9828 14490.7706 232.9675 -203540.2341 2533.3015 0.0000 0.0000 52404.5956 -109241.2514 301.1699 -161645.8469 -108887.7232 299.6984 198.8516 228.2021 760283.5760 -12.0493 -12.1389 PRESSURE: 4858000 305.43 -232.808 -62.7141 -232.808 198.841 -69.0699 -62.7139 -69.0694 76.5336 GPRESSURE: 4858000 292.892 -104.073 -173.436 -141.226 300.445 -138.866 28.0965 -60.8621 87.3986 PRESSAVG: 4858000 26.0581 27.0705 -36.7646 27.0705 -42.6042 -37.8337 -36.7647 -37.8336 -1.08614 GPRESSAVG: 4858000 25.0629 25.0259 -35.1658 26.5732 -41.5528 -35.9836 -36.8768 -39.8339 -0.980954 TIMING: 4858000 CPU: 15403.5, 0.00312786/step Wall: 15403.5, 0.00312786/step, 0.123377 hours remaining, 240.933594 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: 4858000 4025.1103 20555.6852 14567.0157 248.0108 -203172.6231 2576.5012 0.0000 0.0000 52205.7040 -108994.5959 300.0269 -161200.2998 -108625.7901 300.5080 193.6016 226.9120 761813.9399 -5.8774 -5.8236 PRESSURE: 4858200 176.818 -100.524 30.8789 -100.524 -121.205 25.4881 30.8794 25.4892 -224.033 GPRESSURE: 4858200 198.955 -87.9409 -4.33272 -18.8994 -64.2961 -16.4468 21.9625 129.094 -235.66 PRESSAVG: 4858200 75.3065 -37.9 -6.94599 -37.8999 -114.787 26.9307 -6.946 26.9307 -12.3187 GPRESSAVG: 4858200 75.8333 -37.5553 -8.03342 -35.9076 -115.038 25.9794 -7.64756 29.8624 -12.3752 TIMING: 4858200 CPU: 15404.1, 0.0031427/step Wall: 15404.1, 0.0031427/step, 0.123788 hours remaining, 240.933594 MB of memory in use. ENERGY: 4858200 4035.4943 20511.8364 14454.8322 264.2577 -203363.7560 2672.8962 0.0000 0.0000 52288.6716 -109135.7676 300.5037 -161424.4391 -108773.9726 300.0087 -56.1401 -33.6670 762562.4503 -17.2664 -17.1935 PRESSURE: 4858400 -44.9004 -174.818 -112.208 -174.818 -336.288 200.462 -112.208 200.463 -27.754 GPRESSURE: 4858400 -64.125 -179.115 -123.242 -244.913 -288.83 239.698 -169.783 151.984 35.3992 PRESSAVG: 4858400 45.3311 31.4653 -6.91286 31.4653 -44.0314 -4.36114 -6.91283 -4.36107 22.9071 GPRESSAVG: 4858400 45.9042 31.4859 -7.17269 30.2189 -43.8666 -3.55001 -8.30777 -7.16665 22.3438 TIMING: 4858400 CPU: 15404.7, 0.00315206/step Wall: 15404.7, 0.00315206/step, 0.123981 hours remaining, 240.933594 MB of memory in use. ENERGY: 4858400 3974.5297 20600.7398 14490.4249 254.3353 -202978.6264 2338.2377 0.0000 0.0000 52121.1054 -109199.2537 299.5407 -161320.3591 -108828.5679 300.4736 -136.3141 -105.8519 761236.8303 8.0689 8.1271 PRESSURE: 4858600 -46.7159 185.552 263.91 185.552 22.9977 -232.934 263.909 -232.934 112.188 GPRESSURE: 4858600 105.765 180.993 237.483 82.2486 -14.5691 -143.865 192.17 -166.409 96.6148 PRESSAVG: 4858600 -5.14743 -71.7409 -19.1908 -71.741 22.5881 14.8792 -19.1908 14.8791 7.9525 GPRESSAVG: 4858600 -5.38014 -73.0305 -18.187 -72.3132 23.833 13.4413 -17.8903 17.6093 7.11089 TIMING: 4858600 CPU: 15405.4, 0.00316451/step Wall: 15405.4, 0.00316451/step, 0.124295 hours remaining, 240.933594 MB of memory in use. ENERGY: 4858600 4012.5682 20537.1949 14442.5765 235.1360 -203056.4206 2466.1759 0.0000 0.0000 51873.9870 -109488.7822 298.1205 -161362.7692 -109126.8798 299.6090 29.4900 62.6037 760879.4560 8.4644 8.5212 PRESSURE: 4858800 -23.1394 173.499 179.995 173.498 -202.841 287.793 179.995 287.794 -256.032 GPRESSURE: 4858800 -62.5694 157.764 110.897 90.8596 -115.632 248.259 199.556 248.388 -197.791 PRESSAVG: 4858800 0.511675 -62.2331 -38.2429 -62.233 -25.493 54.0129 -38.2429 54.0129 -7.75118 GPRESSAVG: 4858800 0.401143 -60.0585 -40.3366 -63.764 -27.5367 54.8469 -40.0233 52.2521 -5.95495 TIMING: 4858800 CPU: 15406, 0.00316214/step Wall: 15406, 0.00316214/step, 0.124026 hours remaining, 240.933594 MB of memory in use. ENERGY: 4858800 4034.3175 20473.9844 14488.8987 258.8765 -203095.1694 2450.8994 0.0000 0.0000 51931.9445 -109456.2483 298.4536 -161388.1928 -109097.9217 299.3091 -160.6706 -125.3308 762691.4648 -10.9108 -11.0302 PRESSURE: 4859000 -375.089 -16.135 -305.783 -16.1361 -93.7 -310.255 -305.783 -310.255 137.032 GPRESSURE: 4859000 -285.619 -66.0559 -335.775 -66.5705 -10.5396 -384.373 -153.102 -130.24 68.2962 PRESSAVG: 4859000 -7.41511 -54.183 -29.0289 -54.183 36.8966 -13.5434 -29.0289 -13.5434 2.5674 GPRESSAVG: 4859000 -7.62871 -54.8437 -28.442 -53.4493 38.5646 -13.9671 -25.7034 -12.4889 1.50885 TIMING: 4859000 CPU: 15406.6, 0.00312629/step Wall: 15406.6, 0.00312629/step, 0.122446 hours remaining, 240.933594 MB of memory in use. ENERGY: 4859000 4119.6433 20520.0370 14469.7521 240.3633 -202993.3496 2343.9762 0.0000 0.0000 51880.1090 -109419.4687 298.1557 -161299.5776 -109052.4207 299.7744 -110.5855 -75.9541 761941.8498 10.6830 10.8149 PRESSURE: 4859200 176.354 -4.58051 54.7166 -4.57944 14.6067 -125.772 54.7162 -125.771 138.194 GPRESSURE: 4859200 160.261 90.7426 92.1259 2.6133 85.613 -178.445 177.168 -207.428 170.864 PRESSAVG: 4859200 10.7504 -37.3316 52.7595 -37.3316 -23.9277 10.4609 52.7595 10.461 -20.3252 GPRESSAVG: 4859200 12.1421 -36.6523 53.7881 -35.6003 -25.3621 12.0303 52.6229 9.85857 -19.9017 TIMING: 4859200 CPU: 15407.3, 0.00317082/step Wall: 15407.3, 0.00317082/step, 0.124014 hours remaining, 240.933594 MB of memory in use. ENERGY: 4859200 4050.7621 20525.6152 14413.3842 266.1127 -203975.9779 3049.6387 0.0000 0.0000 52107.9132 -109562.5517 299.4649 -161670.4649 -109199.2888 299.7747 109.7182 138.9126 759684.0739 -11.1675 -11.0406 PRESSURE: 4859400 87.0871 -80.8057 22.7005 -80.8051 -18.7468 21.5175 22.7008 21.5181 -17.8365 GPRESSURE: 4859400 22.5162 -136.03 -2.98684 -124.216 -24.7814 126.536 -37.4685 5.83631 126.291 PRESSAVG: 4859400 -22.0397 -16.8717 69.5484 -16.8718 -34.133 -17.6397 69.5484 -17.6396 -5.53402 GPRESSAVG: 4859400 -22.7175 -18.4417 69.9148 -18.0307 -33.1458 -18.4861 68.6919 -17.628 -5.92182 TIMING: 4859400 CPU: 15407.9, 0.00316303/step Wall: 15407.9, 0.00316303/step, 0.123534 hours remaining, 240.933594 MB of memory in use. ENERGY: 4859400 3997.7387 20534.4017 14443.4328 238.6831 -203606.1665 2571.6712 0.0000 0.0000 52202.0223 -109618.2167 300.0057 -161820.2389 -109248.6405 299.6303 16.8346 41.3418 759696.8808 -20.5689 -20.5950 PRESSURE: 4859600 -338.428 2.89411 -63.2636 2.89373 -166.798 319.058 -63.2643 319.058 -541.59 GPRESSURE: 4859600 -266.886 -3.56864 12.9475 -38.7327 -106.491 230.798 34.3279 157.902 -586.059 PRESSAVG: 4859600 -13.9289 3.61898 31.8002 3.61893 19.2962 -28.4279 31.8002 -28.428 -20.7458 GPRESSAVG: 4859600 -14.402 4.59719 30.1632 3.99711 18.8212 -29.3823 33.0986 -29.8824 -20.7929 TIMING: 4859600 CPU: 15408.5, 0.00314733/step Wall: 15408.5, 0.00314733/step, 0.122746 hours remaining, 240.933594 MB of memory in use. ENERGY: 4859600 4011.3624 20379.0374 14443.9786 232.4803 -203556.6031 2422.2219 0.0000 0.0000 52016.4231 -110051.0995 298.9391 -162067.5226 -109693.6629 298.9443 -348.9388 -319.8121 759431.8948 -5.1262 -5.4579 PRESSURE: 4859800 77.999 110.485 -28.8077 110.485 31.2498 -243.609 -28.8072 -243.608 -131.368 GPRESSURE: 4859800 121.718 102.535 -15.3846 131.141 -1.48142 -301.69 -41.9967 -169.46 -64.9005 PRESSAVG: 4859800 5.05881 14.2678 -1.99088 14.2678 -15.2181 28.5712 -1.99093 28.5712 17.4083 GPRESSAVG: 4859800 4.98659 14.0194 -1.04633 13.7161 -16.5452 28.0077 -3.32959 29.988 18.5612 TIMING: 4859800 CPU: 15409.2, 0.00313705/step Wall: 15409.2, 0.00313705/step, 0.122171 hours remaining, 240.933594 MB of memory in use. ENERGY: 4859800 4023.8962 20421.2850 14483.9076 238.3321 -203986.3700 2721.6826 0.0000 0.0000 52037.7640 -110059.5025 299.0617 -162097.2666 -109710.1512 297.8492 -7.3729 18.4454 759119.3440 2.4163 2.3342 PRESSURE: 4860000 16.9312 -106.634 137.843 -106.634 -61.664 -82.0604 137.842 -82.061 -274.295 GPRESSURE: 4860000 97.9009 4.38566 168.228 -73.7943 -118.194 -14.375 5.95268 42.7038 -210.922 PRESSAVG: 4860000 -5.68218 -3.43279 66.0352 -3.43274 32.1737 5.49048 66.0352 5.49052 0.952602 GPRESSAVG: 4860000 -4.71263 -1.52054 66.3806 -2.06045 31.47 7.35758 64.7731 4.12945 0.234689 TIMING: 4860000 CPU: 15409.8, 0.00313366/step Wall: 15409.8, 0.00313366/step, 0.121864 hours remaining, 240.933594 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: 4860000 3997.1485 20638.2245 14480.5805 236.4393 -203833.0107 2721.4929 0.0000 0.0000 51772.2376 -109986.8874 297.5358 -161759.1250 -109627.2996 298.5175 -106.3427 -77.0716 759760.6529 9.1481 8.9973 PRESSURE: 4860200 -106.985 -130.713 16.2321 -130.712 -136.837 -241.017 16.232 -241.017 191.842 GPRESSURE: 4860200 -22.387 -182.011 31.9673 -136.511 -145.964 -186.264 29.0096 -173.815 223.717 PRESSAVG: 4860200 -4.66752 -34.3762 95.9158 -34.3761 24.2961 -51.8685 95.9158 -51.8685 5.2592 GPRESSAVG: 4860200 -4.4504 -35.6884 96.6819 -34.9058 25.012 -51.4986 97.6318 -50.3828 4.6329 TIMING: 4860200 CPU: 15410.4, 0.00313824/step Wall: 15410.4, 0.00313824/step, 0.121868 hours remaining, 240.933594 MB of memory in use. ENERGY: 4860200 3967.6719 20454.9623 14361.4195 234.4879 -203541.9122 2579.8593 0.0000 0.0000 51893.4952 -110050.0161 298.2326 -161943.5113 -109688.5984 298.3809 -17.3264 18.4554 759013.8176 8.2959 8.3982 LDB: ============= START OF LOAD BALANCING ============== 15422.9 LDB: ============== END OF LOAD BALANCING =============== 15422.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15422.9 LDB: ============= START OF LOAD BALANCING ============== 15423.2 LDB: Largest compute 7035 load 0.033413 is 17.1% of average load 0.195631 LDB: Average compute 0.004344 is 2.2% of average load 0.195631 LDB: TIME 15423.2 LOAD: AVG 0.195631 MAX 0.216508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.383 MB LDB: TIME 15423.2 LOAD: AVG 0.195631 MAX 0.216508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: TIME 15423.2 LOAD: AVG 0.195631 MAX 0.216508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.383 MB LDB: ============== END OF LOAD BALANCING =============== 15423.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15423.2 PRESSURE: 4860400 108.455 99.358 -40.8749 99.3583 -237.107 190.814 -40.8746 190.815 -81.507 GPRESSURE: 4860400 99.7875 7.21546 -75.5563 30.4571 -100.581 161.541 -51.2512 126.57 -127.435 PRESSAVG: 4860400 43.8901 -17.4767 47.8269 -17.4768 22.203 -20.1505 47.8269 -20.1505 -14.5791 GPRESSAVG: 4860400 42.8285 -15.791 48.0357 -20.016 23.7682 -22.1218 44.8692 -19.8033 -14.6054 TIMING: 4860400 CPU: 15411, 0.00320757/step Wall: 15411, 0.00320757/step, 0.124382 hours remaining, 240.152344 MB of memory in use. ENERGY: 4860400 4033.3376 20293.2597 14437.8379 223.0482 -203404.9880 2435.7878 0.0000 0.0000 51933.1428 -110048.5739 298.4605 -161981.7167 -109699.3738 298.6187 -70.0529 -42.7428 759752.8836 17.1713 17.3304 PRESSURE: 4860600 -297.056 -245.362 191.327 -245.362 -60.6721 -108.518 191.327 -108.519 -174.528 GPRESSURE: 4860600 -255.1 -278.454 173.965 -190.705 -49.0367 -149.449 165.618 29.9598 -166.605 PRESSAVG: 4860600 -40.4635 -57.2064 34.269 -57.2064 30.4289 -46.9106 34.269 -46.9106 14.9512 GPRESSAVG: 4860600 -39.6182 -58.8661 34.2318 -57.361 29.0541 -47.0659 36.5004 -47.3366 15.3073 TIMING: 4860600 CPU: 15411.7, 0.00313457/step Wall: 15411.7, 0.00313457/step, 0.121378 hours remaining, 240.152344 MB of memory in use. ENERGY: 4860600 3936.3305 20467.7843 14531.5205 238.2536 -203148.9760 2360.3311 0.0000 0.0000 51628.2629 -109986.4931 296.7083 -161614.7560 -109627.4574 298.2758 -177.4187 -156.9137 759954.8997 1.6389 1.5811 PRESSURE: 4860800 -434.429 60.0349 -83.2442 60.0359 -111.378 -19.5211 -83.2445 -19.5207 26.4688 GPRESSURE: 4860800 -449.969 86.8464 -158.922 64.7276 -28.3918 -99.5467 -23.3654 -132.62 30.5358 PRESSAVG: 4860800 -47.4426 -2.71828 -14.4255 -2.71826 25.7458 -80.2001 -14.4256 -80.2 -8.22467 GPRESSAVG: 4860800 -48.0302 -2.90702 -14.9163 -1.49255 28.1529 -77.5244 -14.9186 -80.3255 -9.56729 TIMING: 4860800 CPU: 15412.3, 0.00313008/step Wall: 15412.3, 0.00313008/step, 0.12103 hours remaining, 240.152344 MB of memory in use. ENERGY: 4860800 3981.5657 20464.5607 14427.1942 245.1206 -203183.2272 2159.7645 0.0000 0.0000 51840.8454 -110064.1761 297.9301 -161905.0215 -109703.8153 297.3974 -173.1127 -149.2751 761979.4302 -9.9738 -9.8148 PRESSURE: 4861000 -244.226 -118.358 -18.6944 -118.358 -78.3768 -187.37 -18.6944 -187.37 269.739 GPRESSURE: 4861000 -223.178 -207.52 119.617 -82.5686 -72.9743 -172.44 -16.1284 -260.488 325.105 PRESSAVG: 4861000 43.9585 -2.60223 -29.8234 -2.60225 -20.2254 -27.133 -29.8234 -27.133 -0.354909 GPRESSAVG: 4861000 44.8775 -3.52237 -30.4666 -2.71662 -20.6327 -29.8729 -27.4708 -26.9808 -0.846888 TIMING: 4861000 CPU: 15412.9, 0.00314543/step Wall: 15412.9, 0.00314543/step, 0.121449 hours remaining, 240.152344 MB of memory in use. ENERGY: 4861000 4018.5481 20289.3761 14498.0075 217.0446 -203517.3303 2547.3196 0.0000 0.0000 51824.0182 -110123.0162 297.8333 -161947.0344 -109769.2384 297.6132 -17.6211 9.6508 759416.0753 7.7927 7.7993 PRESSURE: 4861200 -183.346 -39.5595 271.695 -39.5601 -16.0772 -228.162 271.695 -228.161 14.5568 GPRESSURE: 4861200 -51.66 12.9884 299.285 77.0456 -56.2032 -209.1 78.5298 -188.195 20.0231 PRESSAVG: 4861200 -5.88224 -45.9472 -6.81124 -45.9472 24.9442 -39.7201 -6.81121 -39.7202 4.70045 GPRESSAVG: 4861200 -5.32639 -44.2965 -5.18964 -46.0536 23.2778 -38.0491 -8.2424 -39.412 6.63822 TIMING: 4861200 CPU: 15413.6, 0.00315452/step Wall: 15413.6, 0.00315452/step, 0.121624 hours remaining, 240.152344 MB of memory in use. ENERGY: 4861200 3991.6497 20344.6554 14448.4751 216.8516 -203255.4026 2287.9965 0.0000 0.0000 51872.5507 -110093.2236 298.1123 -161965.7743 -109735.1802 297.4665 -61.6223 -29.2800 760644.0420 7.9208 8.1965 PRESSURE: 4861400 -213.321 -226.14 219.96 -226.141 -14.7638 -53.0699 219.961 -53.0712 39.4101 GPRESSURE: 4861400 -75.6343 -298.121 262.249 -212.564 -20.3133 42.3805 71.9219 -111.118 2.02206 PRESSAVG: 4861400 -22.961 9.17807 19.6934 9.17811 57.8848 14.225 19.6934 14.225 -12.7672 GPRESSAVG: 4861400 -22.3468 9.78472 20.9732 8.7993 59.4424 12.6949 17.4834 14.4686 -13.8781 TIMING: 4861400 CPU: 15414.2, 0.00314611/step Wall: 15414.2, 0.00314611/step, 0.121125 hours remaining, 240.152344 MB of memory in use. ENERGY: 4861400 4114.7449 20363.8593 14409.4972 264.3450 -203323.8612 2240.1348 0.0000 0.0000 51934.0512 -109997.2289 298.4657 -161931.2800 -109647.5967 297.6510 -62.8917 -31.3085 760337.6289 7.3855 7.7392 PRESSURE: 4861600 116.742 23.3052 -131.134 23.3053 107.382 18.7407 -131.135 18.7407 432.854 GPRESSURE: 4861600 153.122 42.1386 -142.964 -15.2924 131.174 86.7555 -18.6923 -61.278 439.199 PRESSAVG: 4861600 -18.1323 -16.734 49.5725 -16.7341 7.75345 37.5914 49.5725 37.5915 -2.84753 GPRESSAVG: 4861600 -19.0364 -18.6532 48.5467 -14.4789 7.32706 38.3976 50.1475 38.0748 -1.8183 TIMING: 4861600 CPU: 15414.8, 0.00315427/step Wall: 15414.8, 0.00315427/step, 0.121264 hours remaining, 240.152344 MB of memory in use. ENERGY: 4861600 4028.2329 20264.4025 14396.0115 231.9021 -203358.4513 2555.3471 0.0000 0.0000 51890.8325 -109991.7228 298.2173 -161882.5553 -109641.1852 298.6692 218.9926 241.1650 761536.5456 -4.4088 -4.5092 PRESSURE: 4861800 19.3683 -134.092 2.42119 -134.093 157.294 -134.776 2.42124 -134.776 -71.8216 GPRESSURE: 4861800 140.755 -124.728 14.1894 -41.2938 158.598 -103.236 49.8756 -173.534 -107.847 PRESSAVG: 4861800 55.1395 25.4336 -10.0521 25.4336 -76.3501 -16.6209 -10.0521 -16.6208 6.89573 GPRESSAVG: 4861800 55.9575 26.8989 -10.3087 23.9311 -75.6659 -17.4055 -9.68281 -18.5508 5.82033 TIMING: 4861800 CPU: 15415.4, 0.00314114/step Wall: 15415.4, 0.00314114/step, 0.120585 hours remaining, 240.152344 MB of memory in use. ENERGY: 4861800 3966.2478 20388.6968 14444.2714 274.5051 -203458.9089 2495.0371 0.0000 0.0000 51852.3109 -110037.8398 297.9959 -161890.1507 -109689.0539 298.1279 34.9468 63.8355 761726.5395 -4.7716 -4.6293 PRESSURE: 4862000 -350.096 0.499218 26.7185 0.498645 -107.448 57.8624 26.7175 57.8626 -388.84 GPRESSURE: 4862000 -362.102 -8.15821 34.3236 24.1657 -122.719 36.3381 132.238 100.05 -281.076 PRESSAVG: 4862000 7.82003 42.2056 23.6991 42.2056 -28.5475 5.49902 23.6991 5.49909 -3.03864 GPRESSAVG: 4862000 7.51236 41.8525 24.5342 43.9549 -28.355 5.56356 24.338 5.82007 -2.65529 TIMING: 4862000 CPU: 15416.1, 0.00314948/step Wall: 15416.1, 0.00314948/step, 0.12073 hours remaining, 240.152344 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: 4862000 3977.7510 20218.2293 14461.7281 237.6466 -202836.0679 2142.6786 0.0000 0.0000 51738.7977 -110059.2367 297.3436 -161798.0344 -109697.9267 297.4927 -282.1278 -255.2989 762363.6721 -7.9220 -7.8327 PRESSURE: 4862200 68.2562 -54.6413 101.447 -54.641 -175.365 -1.26811 101.446 -1.2688 -224.324 GPRESSURE: 4862200 45.4899 -104.331 122.251 -54.1551 -99.1682 82.9931 4.24438 14.879 -185.694 PRESSAVG: 4862200 14.8521 -45.5155 7.9935 -45.5155 -6.94219 -44.2906 7.99349 -44.2906 8.1733 GPRESSAVG: 4862200 15.233 -45.2411 6.59021 -47.209 -6.86554 -43.145 8.64329 -44.1246 7.71689 TIMING: 4862200 CPU: 15416.7, 0.00314478/step Wall: 15416.7, 0.00314479/step, 0.120375 hours remaining, 240.152344 MB of memory in use. ENERGY: 4862200 4005.6411 20488.4441 14312.4796 241.4252 -203155.5721 2412.5276 0.0000 0.0000 51733.8577 -109961.1968 297.3152 -161695.0545 -109607.6628 297.9350 -110.4778 -79.7909 760180.0849 5.3611 5.3615 PRESSURE: 4862400 -234.588 -96.5462 -176.774 -96.5463 57.1388 134.552 -176.773 134.551 -213.925 GPRESSURE: 4862400 -159.866 -163.47 -147.716 -77.2044 25.5997 101.993 -153.255 121.163 -165.855 PRESSAVG: 4862400 -21.2941 29.7167 -55.3945 29.7167 30.8615 11.7375 -55.3945 11.7374 -21.3829 GPRESSAVG: 4862400 -21.531 26.8089 -53.5539 29.7833 29.8721 10.5099 -59.045 12.2946 -19.5464 TIMING: 4862400 CPU: 15417.3, 0.00314113/step Wall: 15417.3, 0.00314113/step, 0.120061 hours remaining, 240.152344 MB of memory in use. ENERGY: 4862400 3945.3202 20222.4165 14338.5405 250.6355 -202894.4189 2291.7378 0.0000 0.0000 51910.9568 -109934.8116 298.3330 -161845.7684 -109573.2665 298.0759 -130.4580 -100.0404 761148.8645 -3.9385 -3.7351 PRESSURE: 4862600 -349.407 129.515 -23.4616 129.515 -302.208 9.14696 -23.4633 9.14541 -161.912 GPRESSURE: 4862600 -171.127 -46.4294 -52.0336 47.605 -312.27 14.1455 88.4734 101.811 -241.639 PRESSAVG: 4862600 34.6576 -43.7194 41.9741 -43.7195 -86.8425 32.8279 41.974 32.828 -6.10021 GPRESSAVG: 4862600 35.797 -42.3024 40.6367 -44.2215 -85.6846 33.7429 44.1747 33.0821 -8.62518 TIMING: 4862600 CPU: 15418, 0.00313605/step Wall: 15418, 0.00313605/step, 0.119693 hours remaining, 240.152344 MB of memory in use. ENERGY: 4862600 4022.0565 20198.1801 14310.3021 234.2578 -203184.3055 2407.0787 0.0000 0.0000 51902.1742 -110110.2561 298.2825 -162012.4303 -109747.0571 297.6622 -271.1759 -241.6784 762247.1808 -19.4284 -19.5043 PRESSURE: 4862800 -191.914 -0.126332 -30.8106 -0.125568 -287.404 -24.724 -30.8115 -24.7235 -392.06 GPRESSURE: 4862800 -288.823 -36.1741 -133.179 76.2829 -226.128 -54.8011 28.6169 -94.3671 -292.035 PRESSAVG: 4862800 -10.148 -28.722 42.0438 -28.722 31.3407 -10.0876 42.0437 -10.0876 -8.68017 GPRESSAVG: 4862800 -10.8237 -27.0912 41.5073 -30.3457 30.4334 -10.0849 41.6254 -10.4206 -8.27004 TIMING: 4862800 CPU: 15418.6, 0.00314076/step Wall: 15418.6, 0.00314076/step, 0.119698 hours remaining, 240.152344 MB of memory in use. ENERGY: 4862800 3979.0959 20163.8254 14403.4635 247.4927 -203043.5433 2323.1723 0.0000 0.0000 51826.1060 -110100.3875 297.8453 -161926.4935 -109730.4213 297.9584 -290.4596 -268.9955 762147.4915 4.1708 3.7799 PRESSURE: 4863000 -0.635468 -172.427 -196.365 -172.427 183.546 -61.5883 -196.365 -61.5884 73.325 GPRESSURE: 4863000 28.5545 -86.121 -220.4 -51.5736 199.992 28.0482 -103.095 -105.85 113.719 PRESSAVG: 4863000 -10.2933 -53.7396 28.2099 -53.7396 32.3743 -59.8739 28.2099 -59.874 -9.34962 GPRESSAVG: 4863000 -11.3178 -53.536 28.5955 -52.6791 32.7086 -59.5721 27.82 -62.3382 -8.77189 TIMING: 4863000 CPU: 15419.2, 0.00312783/step Wall: 15419.2, 0.00312783/step, 0.119031 hours remaining, 240.152344 MB of memory in use. ENERGY: 4863000 3861.3475 20351.2981 14288.4873 248.9856 -203355.6063 2685.7287 0.0000 0.0000 51875.3900 -110044.3691 298.1286 -161919.7591 -109690.3492 297.8692 85.4117 114.0886 760334.2096 4.2438 4.2063 PRESSURE: 4863200 -423.959 230.162 -16.1584 230.162 -128.854 50.7747 -16.1577 50.7743 -353.511 GPRESSURE: 4863200 -459.418 175.942 -30.8395 147.438 -49.1564 -40.6543 16.1221 135.59 -327.72 PRESSAVG: 4863200 7.40096 29.232 -15.7476 29.232 -14.8322 25.7644 -15.7477 25.7644 -4.35378 GPRESSAVG: 4863200 6.77548 27.3667 -15.0793 30.3922 -14.4026 26.0595 -13.853 26.466 -3.73237 TIMING: 4863200 CPU: 15419.8, 0.00313262/step Wall: 15419.8, 0.00313262/step, 0.11904 hours remaining, 240.152344 MB of memory in use. ENERGY: 4863200 3933.0472 20285.2421 14429.5040 230.9288 -203458.6013 2334.5871 0.0000 0.0000 51981.8562 -110263.4360 298.7404 -162245.2922 -109894.8718 297.7809 -302.1078 -278.7648 760209.7949 -3.9283 -3.7865 PRESSURE: 4863400 -66.6135 -86.5097 -18.3777 -86.5094 -166.57 20.346 -18.3788 20.3455 -473.534 GPRESSURE: 4863400 7.71838 -209.422 10.1377 0.902288 -218.918 2.30129 106.844 -47.2721 -401.188 PRESSAVG: 4863400 -36.1681 22.3291 28.5391 22.3292 24.453 -18.2319 28.5391 -18.2319 0.485611 GPRESSAVG: 4863400 -34.0305 24.6921 28.5944 20.9326 23.0437 -18.6089 26.2468 -18.3679 -1.05415 TIMING: 4863400 CPU: 15420.5, 0.00313381/step Wall: 15420.5, 0.00313381/step, 0.118911 hours remaining, 240.152344 MB of memory in use. ENERGY: 4863400 3970.8093 20225.9430 14402.1109 247.8747 -203362.8259 2206.3181 0.0000 0.0000 52112.2114 -110197.5584 299.4896 -162309.7698 -109843.6864 297.6442 -235.5724 -204.1292 759851.9414 -3.7432 -4.0137 PRESSURE: 4863600 40.0177 137.351 38.9077 137.351 163.183 84.8269 38.9076 84.8266 627.421 GPRESSURE: 4863600 134.626 197.003 1.99946 -13.5515 238.971 148.232 57.0711 35.2963 542.281 PRESSAVG: 4863600 -19.4247 -7.08738 16.696 -7.0874 8.36181 -59.0556 16.696 -59.0556 -7.25925 GPRESSAVG: 4863600 -20.6636 -8.21192 15.0259 -8.32433 9.06282 -58.2239 17.3097 -57.8427 -6.96241 TIMING: 4863600 CPU: 15421.1, 0.00312428/step Wall: 15421.1, 0.00312428/step, 0.118375 hours remaining, 240.152344 MB of memory in use. ENERGY: 4863600 3953.1465 20182.5464 14465.7895 251.2558 -203788.9738 2662.5400 0.0000 0.0000 51845.3357 -110428.3599 297.9559 -162273.6956 -110059.4876 297.5087 276.8739 305.2929 758914.3523 -6.1074 -6.1877 PRESSURE: 4863800 16.0635 -88.1248 1.58484 -88.1246 -6.94059 -55.3388 1.58488 -55.3382 220.134 GPRESSURE: 4863800 43.804 -44.1273 -4.74664 38.3944 7.23755 -88.5971 58.7248 -8.11611 252.881 PRESSAVG: 4863800 -46.5653 -9.12822 5.98247 -9.12814 90.4626 -13.0812 5.98247 -13.0812 -3.72157 GPRESSAVG: 4863800 -46.2678 -9.71188 6.86544 -7.24007 90.504 -13.2045 5.01799 -12.9122 -4.3273 TIMING: 4863800 CPU: 15421.7, 0.00314235/step Wall: 15421.7, 0.00314235/step, 0.118886 hours remaining, 240.152344 MB of memory in use. ENERGY: 4863800 3840.0105 20285.0912 14405.9626 238.1042 -203604.0770 2576.1934 0.0000 0.0000 51857.6111 -110401.1042 298.0264 -162258.7153 -110045.9115 297.3277 76.4189 101.3076 760863.9529 13.3919 13.3030 PRESSURE: 4864000 289.162 -76.7708 -238.053 -76.7719 161.488 226.21 -238.054 226.21 118.341 GPRESSURE: 4864000 287.569 -43.7167 -194.185 -8.48492 240.606 149.675 -233.789 367.267 137.008 PRESSAVG: 4864000 26.4239 -36.0399 -1.3305 -36.0399 -7.92907 -4.92434 -1.33049 -4.92434 -16.776 GPRESSAVG: 4864000 25.8315 -35.7906 -1.70147 -35.1511 -7.99275 -5.37267 -0.950656 -4.61598 -16.3524 TIMING: 4864000 CPU: 15422.4, 0.00314419/step Wall: 15422.4, 0.00314419/step, 0.11878 hours remaining, 240.152344 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: 4864000 3901.5836 20351.2652 14406.9303 234.3026 -203429.8091 2448.0303 0.0000 0.0000 51906.7526 -110180.9445 298.3088 -162087.6971 -109813.5927 297.3567 189.6636 221.7278 760150.0677 0.5729 0.4955 PRESSURE: 4864200 -27.0674 -44.9978 192.383 -44.998 184.6 -100.537 192.384 -100.538 -533.356 GPRESSURE: 4864200 -28.4092 -68.2285 131.108 -105.529 185.912 -19.8527 153.036 -139.548 -444.353 PRESSAVG: 4864200 11.4824 -61.9391 11.65 -61.9392 -1.76 -53.6198 11.65 -53.6197 2.89922 GPRESSAVG: 4864200 12.2168 -63.4931 10.9189 -61.8996 -2.39549 -54.4582 13.5523 -55.7582 3.13985 TIMING: 4864200 CPU: 15423, 0.00317957/step Wall: 15423, 0.00317957/step, 0.11994 hours remaining, 240.152344 MB of memory in use. ENERGY: 4864200 3971.5669 20395.3834 14492.6807 249.3781 -203673.2526 2689.7221 0.0000 0.0000 51741.8203 -110132.7010 297.3610 -161874.5213 -109778.7209 297.2416 -125.2746 -95.6169 760585.6924 4.2072 4.3204 LDB: ============= START OF LOAD BALANCING ============== 15435.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15435.4 LDB: =============== DONE WITH MIGRATION ================ 15435.4 LDB: ============= START OF LOAD BALANCING ============== 15435.8 LDB: Largest compute 7045 load 0.033469 is 17.1% of average load 0.195645 LDB: Average compute 0.004355 is 2.2% of average load 0.195645 LDB: TIME 15435.8 LOAD: AVG 0.195645 MAX 0.218785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.141 MB LDB: TIME 15435.8 LOAD: AVG 0.195645 MAX 0.218785 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.344 MB LDB: TIME 15435.8 LOAD: AVG 0.195645 MAX 0.217535 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.344 MB LDB: ============== END OF LOAD BALANCING =============== 15435.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15435.8 PRESSURE: 4864400 121.354 -241.959 123.924 -241.959 224.943 0.480414 123.924 0.480518 85.9779 GPRESSURE: 4864400 166.229 -169.807 54.4892 -273.836 326.472 106.165 86.1283 -39.4423 46.7817 PRESSAVG: 4864400 -22.8584 -8.68314 8.27301 -8.68315 -31.5739 -25.8032 8.27303 -25.8032 32.5535 GPRESSAVG: 4864400 -22.4465 -6.34881 8.65698 -9.81465 -31.2745 -24.7042 7.06596 -25.154 31.9698 TIMING: 4864400 CPU: 15423.6, 0.00321635/step Wall: 15423.6, 0.00321635/step, 0.121149 hours remaining, 239.457031 MB of memory in use. ENERGY: 4864400 3966.0677 20391.0330 14469.1309 243.3284 -203469.6605 2453.3861 0.0000 0.0000 52023.7686 -109922.9457 298.9813 -161946.7143 -109560.9107 298.1143 144.0916 179.8274 759866.4843 -7.2929 -7.2504 PRESSURE: 4864600 -133.446 159.59 235.609 159.591 -59.2256 -183.527 235.609 -183.527 -183.897 GPRESSURE: 4864600 -69.13 239.94 244.631 147.655 -17.7658 -108.317 212.811 -122.641 -222.591 PRESSAVG: 4864600 -11.4103 22.6236 1.3294 22.6236 22.3964 -13.1599 1.32932 -13.1598 13.8808 GPRESSAVG: 4864600 -12.821 24.2927 2.97762 23.835 22.7839 -11.5816 1.04762 -13.6964 15.081 TIMING: 4864600 CPU: 15424.3, 0.00315118/step Wall: 15424.3, 0.00315118/step, 0.11852 hours remaining, 239.457031 MB of memory in use. ENERGY: 4864600 4018.1034 20413.0052 14506.2973 244.2358 -203746.3180 2667.0166 0.0000 0.0000 51988.0404 -109909.6193 298.7760 -161897.6597 -109546.9099 298.5558 -125.5230 -103.1621 760544.6316 8.2890 8.3480 PRESSURE: 4864800 -7.10864 23.7057 12.6452 23.7053 -179.753 35.4172 12.6467 35.417 248.818 GPRESSURE: 4864800 17.6817 134.95 82.5423 60.8217 -102.471 -20.3463 51.7434 101.285 243.846 PRESSAVG: 4864800 -51.163 13.3002 39.7014 13.3002 35.9964 -64.2231 39.7014 -64.2229 0.249602 GPRESSAVG: 4864800 -50.5085 9.46916 39.0352 15.882 36.1389 -66.9501 40.2075 -60.9069 -0.105577 TIMING: 4864800 CPU: 15424.9, 0.00314213/step Wall: 15424.9, 0.00314213/step, 0.118004 hours remaining, 239.457031 MB of memory in use. ENERGY: 4864800 3960.3141 20304.7224 14500.4691 236.2938 -203846.9907 2783.7589 0.0000 0.0000 52186.4829 -109874.9496 299.9164 -162061.4325 -109516.6078 298.2930 20.6521 53.0189 760021.6578 -4.9723 -4.8251 PRESSURE: 4865000 27.74 40.5859 -109.279 40.5866 -245.841 -253.72 -109.279 -253.72 -91.2128 GPRESSURE: 4865000 -11.2663 -108.495 -176.907 81.5863 -143.456 -177.991 -119.109 -221.166 -69.0103 PRESSAVG: 4865000 29.7067 -1.77868 -1.00648 -1.77877 -23.0187 -25.1868 -1.00654 -25.1868 -3.18859 GPRESSAVG: 4865000 30.2643 1.6585 -3.26139 -6.20904 -24.8143 -21.9021 0.289836 -28.962 -1.47738 TIMING: 4865000 CPU: 15425.5, 0.00314546/step Wall: 15425.5, 0.00314546/step, 0.117955 hours remaining, 239.457031 MB of memory in use. ENERGY: 4865000 3999.3924 20421.5422 14449.0731 245.8802 -203849.9693 2746.0871 0.0000 0.0000 52232.3679 -109755.6265 300.1801 -161987.9943 -109400.4239 298.5102 -103.1047 -74.5776 761366.4139 1.1665 1.3242 PRESSURE: 4865200 99.2497 -176.122 19.1137 -176.121 -389.199 -101.7 19.1126 -101.699 -166.102 GPRESSURE: 4865200 101.83 -212.029 18.4278 -255.393 -274.834 -85.0945 1.86336 -60.3199 -181.938 PRESSAVG: 4865200 -2.53308 32.5467 -54.406 32.5466 -3.75581 -14.8781 -54.406 -14.878 -7.55217 GPRESSAVG: 4865200 -2.83226 27.8772 -53.6179 35.8554 -0.966796 -18.1878 -55.3682 -13.3333 -9.59704 TIMING: 4865200 CPU: 15426.1, 0.00313748/step Wall: 15426.1, 0.00313748/step, 0.117481 hours remaining, 239.457031 MB of memory in use. ENERGY: 4865200 3985.2216 20456.7992 14515.6760 259.1089 -203514.9778 2573.3672 0.0000 0.0000 52295.0182 -109429.7867 300.5402 -161724.8049 -109064.5010 299.2115 -152.0172 -118.3142 761790.9289 -4.6137 -4.4654 PRESSURE: 4865400 50.9617 -32.4281 162.6 -32.4287 -183.854 176.224 162.601 176.223 -18.1536 GPRESSURE: 4865400 120.625 -15.4673 129.224 -5.63783 -157.712 249.962 200.467 111.519 -35.8392 PRESSAVG: 4865400 73.1604 6.25613 17.8502 6.25615 -61.4775 -33.1826 17.8502 -33.1826 3.76947 GPRESSAVG: 4865400 73.4693 6.86447 17.2402 4.90685 -61.9203 -31.0468 17.8489 -33.476 3.29672 TIMING: 4865400 CPU: 15426.8, 0.00314448/step Wall: 15426.8, 0.00314448/step, 0.117569 hours remaining, 239.457031 MB of memory in use. ENERGY: 4865400 3996.5148 20470.7634 14422.2385 264.0403 -203316.9587 2363.1611 0.0000 0.0000 52268.5047 -109531.7361 300.3878 -161800.2408 -109168.4971 299.4029 -50.3487 -24.3088 760468.6069 5.1508 4.9485 PRESSURE: 4865600 261.473 -30.157 -146.579 -30.1557 119.005 58.3446 -146.578 58.3451 202.47 GPRESSURE: 4865600 262.081 -98.756 -90.737 -95.2266 213.269 148.356 -165.08 12.5206 182.486 PRESSAVG: 4865600 21.6207 35.9414 -35.0048 35.9415 46.9214 -19.7329 -35.0048 -19.7329 5.97588 GPRESSAVG: 4865600 21.9439 36.6364 -35.8247 36.1356 46.8972 -22.3475 -34.6084 -21.4922 5.76222 TIMING: 4865600 CPU: 15427.4, 0.00314336/step Wall: 15427.4, 0.00314336/step, 0.117352 hours remaining, 239.457031 MB of memory in use. ENERGY: 4865600 3991.4319 20563.6637 14421.8634 255.4870 -203596.4930 2574.4937 0.0000 0.0000 52087.8542 -109701.6991 299.3496 -161789.5533 -109350.6711 299.0392 194.3160 219.2787 758810.3717 24.8393 24.8678 PRESSURE: 4865800 -12.9963 5.5547 151.805 5.55591 109.761 -335.378 151.806 -335.378 -78.0149 GPRESSURE: 4865800 -31.3337 -58.4155 148.295 12.0084 174.792 -333.211 85.0017 -188.515 -57.8954 PRESSAVG: 4865800 -15.4704 -9.93287 10.2216 -9.93291 16.5552 -43.2091 10.2216 -43.2091 -0.0405925 GPRESSAVG: 4865800 -15.4798 -10.291 11.282 -7.91454 16.3688 -42.0893 10.1193 -40.7691 0.673245 TIMING: 4865800 CPU: 15428, 0.00314497/step Wall: 15428, 0.00314497/step, 0.117237 hours remaining, 239.457031 MB of memory in use. ENERGY: 4865800 4028.0527 20556.9461 14443.5631 238.1901 -203389.0624 2504.2021 0.0000 0.0000 52007.2091 -109610.8992 298.8861 -161618.1083 -109246.0600 299.4153 6.2498 28.5209 759999.6970 0.3481 0.5207 PRESSURE: 4866000 -336.839 -5.79969 -18.8636 -5.79959 147.27 -161.945 -18.8629 -161.944 -272.669 GPRESSURE: 4866000 -236.801 75.9014 -25.6747 -77.5078 194.372 -185.229 -168.399 -77.4876 -341.474 PRESSAVG: 4866000 -7.65847 7.96153 15.9536 7.96148 70.9247 -30.6548 15.9537 -30.6548 -2.64194 GPRESSAVG: 4866000 -8.22054 8.80507 14.3618 5.62896 71.6651 -31.7107 14.5141 -30.1364 -3.35916 TIMING: 4866000 CPU: 15428.7, 0.00312288/step Wall: 15428.7, 0.00312288/step, 0.11624 hours remaining, 239.457031 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: 4866000 4048.1041 20506.3625 14520.4147 236.2909 -202800.4645 2192.0789 0.0000 0.0000 51913.2934 -109383.9201 298.3464 -161297.2135 -109026.5476 299.4139 -154.0796 -127.9677 759064.1983 20.2081 20.0285 PRESSURE: 4866200 211.262 -10.0692 -79.7198 -10.0698 -263.901 -64.7558 -79.72 -64.7556 2.17315 GPRESSURE: 4866200 179.915 62.5797 -158.24 8.69904 -200.245 -128.08 -167.676 -50.3185 61.2905 PRESSAVG: 4866200 -6.26844 23.5582 13.1782 23.5583 13.0509 -45.8571 13.1782 -45.8571 3.79574 GPRESSAVG: 4866200 -5.52559 24.7372 14.4068 25.1444 11.4268 -44.0233 14.7467 -45.3678 4.50629 TIMING: 4866200 CPU: 15429.3, 0.00313076/step Wall: 15429.3, 0.00313076/step, 0.11636 hours remaining, 239.457031 MB of memory in use. ENERGY: 4866200 4071.0360 20550.3270 14449.2282 236.2183 -203386.3751 2572.0691 0.0000 0.0000 52132.5345 -109374.9620 299.6064 -161507.4965 -109017.4269 300.0355 -16.8217 13.6534 759033.3737 3.5261 3.4692 PRESSURE: 4866400 81.0164 -9.79068 23.6326 -9.7908 -339.774 138.221 23.6328 138.22 -199.774 GPRESSURE: 4866400 143.546 -7.78453 -17.6163 -21.2474 -292.487 141.504 20.2064 4.56856 -203.651 PRESSAVG: 4866400 -7.54709 19.8026 -3.1403 19.8026 19.4186 -3.44632 -3.14033 -3.44632 14.75 GPRESSAVG: 4866400 -9.29794 18.2664 -3.24562 19.6936 20.4485 -5.17964 -5.21068 -4.98785 14.8353 TIMING: 4866400 CPU: 15429.9, 0.00312985/step Wall: 15429.9, 0.00312985/step, 0.116152 hours remaining, 239.457031 MB of memory in use. ENERGY: 4866400 4082.6545 20485.8456 14464.6013 233.4728 -203428.4083 2595.0038 0.0000 0.0000 52025.6994 -109541.1308 298.9924 -161566.8302 -109187.4765 299.5136 -152.8439 -117.5306 759889.8507 8.8738 8.6620 PRESSURE: 4866600 226.618 45.6499 -165.962 45.649 78.7535 -104.902 -165.962 -104.901 -58.5946 GPRESSURE: 4866600 190.84 43.7493 -252.903 22.7806 163.419 -116.139 -138.806 -84.0087 -15.3358 PRESSAVG: 4866600 -13.9314 -14.6329 -43.5552 -14.633 33.2482 25.1057 -43.5551 25.1058 11.6921 GPRESSAVG: 4866600 -12.2198 -13.1119 -42.4719 -16.2988 32.7075 27.1138 -41.6726 25.236 11.1769 TIMING: 4866600 CPU: 15430.5, 0.00310466/step Wall: 15430.5, 0.00310466/step, 0.115045 hours remaining, 239.457031 MB of memory in use. ENERGY: 4866600 3950.4989 20452.1135 14508.6059 251.0761 -203400.0071 2418.3767 0.0000 0.0000 52089.2845 -109730.0514 299.3578 -161819.3359 -109365.7889 298.8333 82.2589 112.9742 760388.2683 10.3363 10.5549 PRESSURE: 4866800 41.7119 112.794 60.2623 112.794 -296.333 -100.407 60.2617 -100.406 -52.8243 GPRESSURE: 4866800 57.335 101.837 65.7957 87.7869 -211.2 -112.159 12.2913 -84.5482 -78.503 PRESSAVG: 4866800 -35.6566 -4.3271 -5.01655 -4.3271 43.7774 20.7925 -5.01653 20.7926 -22.3287 GPRESSAVG: 4866800 -37.3492 -4.9164 -5.95119 -2.98683 45.2142 20.759 -7.33325 21.4338 -22.083 TIMING: 4866800 CPU: 15431.2, 0.00310386/step Wall: 15431.2, 0.00310386/step, 0.114843 hours remaining, 239.457031 MB of memory in use. ENERGY: 4866800 3978.8990 20228.1944 14465.2276 274.6642 -203267.3696 2305.8485 0.0000 0.0000 52027.1606 -109987.3753 299.0008 -162014.5359 -109615.8651 298.4632 -102.4817 -77.4560 759671.9127 -4.7360 -4.7393 PRESSURE: 4867000 -245.017 -30.3974 -82.3314 -30.3963 31.132 43.2095 -82.3319 43.2094 107.622 GPRESSURE: 4867000 -72.8564 25.9446 -131.434 -45.4869 -5.2289 106.432 91.3181 -16.9387 47.3826 PRESSAVG: 4867000 -17.4067 72.147 -25.1211 72.1471 -40.5649 -1.05112 -25.1211 -1.05117 15.7188 GPRESSAVG: 4867000 -16.959 71.9915 -26.1816 70.9216 -40.8682 -1.86682 -24.8312 -1.20267 16.6178 TIMING: 4867000 CPU: 15431.8, 0.0031211/step Wall: 15431.8, 0.0031211/step, 0.115307 hours remaining, 239.457031 MB of memory in use. ENERGY: 4867000 4010.3783 20489.1087 14430.8530 247.8706 -203642.6974 2457.8783 0.0000 0.0000 51860.7295 -110145.8790 298.0443 -162006.6085 -109789.3117 297.9655 -35.4211 -10.2342 759949.0231 -14.0843 -13.7365 PRESSURE: 4867200 269.391 -104.094 57.4345 -104.095 441.292 275.087 57.4339 275.088 29.4233 GPRESSURE: 4867200 410.031 -2.85999 -43.1779 -36.3959 359.354 215.801 16.6639 315.824 36.1201 PRESSAVG: 4867200 -24.4214 5.13661 2.67489 5.13659 24.2265 9.5298 2.67486 9.52976 7.37197 GPRESSAVG: 4867200 -21.8492 4.9243 4.81255 6.52631 21.9037 9.6673 4.21048 10.9453 6.89645 TIMING: 4867200 CPU: 15432.4, 0.00312004/step Wall: 15432.4, 0.00312004/step, 0.115095 hours remaining, 239.457031 MB of memory in use. ENERGY: 4867200 4011.1448 20493.9669 14466.8301 242.7220 -203570.5719 2413.4480 0.0000 0.0000 51715.7035 -110226.7565 297.2109 -161942.4600 -109863.4409 297.7339 246.7023 268.5018 757704.2315 2.3923 2.3170 PRESSURE: 4867400 -17.8938 66.3017 204.632 66.3016 -287.009 83.1781 204.632 83.1777 -17.694 GPRESSURE: 4867400 33.5625 50.4172 215.313 94.4715 -202.749 66.6052 271.67 44.1316 -53.2752 PRESSAVG: 4867400 -18.3618 -21.5157 -42.658 -21.5157 29.0256 11.9067 -42.658 11.9067 -3.77173 GPRESSAVG: 4867400 -19.164 -22.3995 -43.6105 -22.6969 30.4433 11.2147 -43.7882 11.4723 -4.23075 TIMING: 4867400 CPU: 15433, 0.0031143/step Wall: 15433, 0.0031143/step, 0.11471 hours remaining, 239.457031 MB of memory in use. ENERGY: 4867400 3956.9406 20366.8146 14399.1944 244.4056 -203481.5831 2374.1343 0.0000 0.0000 52195.7708 -109944.3229 299.9698 -162140.0937 -109576.2881 298.0299 -107.5321 -74.1538 760074.0415 2.2974 2.3495 PRESSURE: 4867600 85.5758 93.4731 -141.319 93.4731 -451.808 -105.817 -141.318 -105.816 -738.123 GPRESSURE: 4867600 84.7641 12.7178 -13.6978 71.6848 -438.286 -119.492 -62.162 -9.55982 -662.036 PRESSAVG: 4867600 -13.9764 2.02246 -46.7094 2.02245 -19.5845 53.5204 -46.7094 53.5205 21.6508 GPRESSAVG: 4867600 -15.317 0.978632 -47.0858 1.07261 -18.9143 53.8921 -46.6166 52.4572 22.2862 TIMING: 4867600 CPU: 15433.6, 0.00311832/step Wall: 15433.6, 0.00311832/step, 0.114685 hours remaining, 239.457031 MB of memory in use. ENERGY: 4867600 4050.4247 20465.0270 14504.8225 248.8454 -203768.5132 2612.6296 0.0000 0.0000 51985.6733 -109901.0907 298.7624 -161886.7640 -109543.7456 298.3578 -368.1183 -338.5195 761368.8292 -3.9700 -3.9817 PRESSURE: 4867800 -63.6212 -24.4969 156.047 -24.4964 228.464 204.724 156.047 204.723 221.68 GPRESSURE: 4867800 -122.362 -40.5106 132.457 -31.556 298.316 262.987 32.0049 230.675 275.428 PRESSAVG: 4867800 -1.22785 -20.6174 -14.1023 -20.6173 49.3654 42.6981 -14.1022 42.6981 -15.8392 GPRESSAVG: 4867800 -0.934475 -18.2668 -12.6457 -22.9066 48.6586 43.5848 -15.5891 44.2956 -15.4826 TIMING: 4867800 CPU: 15434.3, 0.00312037/step Wall: 15434.3, 0.00312037/step, 0.114587 hours remaining, 239.457031 MB of memory in use. ENERGY: 4867800 3949.5079 20448.9792 14477.6811 246.2201 -203952.9884 3000.3500 0.0000 0.0000 51970.1317 -109860.1185 298.6731 -161830.2501 -109497.3034 298.4297 128.8409 150.4607 761215.0731 10.7661 10.7472 PRESSURE: 4868000 204.653 -11.9174 -179.307 -11.9177 76.9754 208.461 -179.307 208.461 -132.504 GPRESSURE: 4868000 277.283 -154.658 -183.023 -16.4546 134.825 143.914 -89.3383 105.785 -175.991 PRESSAVG: 4868000 -46.7702 -54.5131 -40.5307 -54.5131 14.676 49.1196 -40.5308 49.1196 13.4729 GPRESSAVG: 4868000 -46.1099 -55.5541 -41.621 -52.0961 15.0931 47.5132 -41.4418 48.6116 12.781 TIMING: 4868000 CPU: 15434.9, 0.00313596/step Wall: 15434.9, 0.00313596/step, 0.114985 hours remaining, 239.457031 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: 4868000 3951.5362 20558.4656 14418.7281 256.1800 -203635.3033 2584.5860 0.0000 0.0000 51833.6287 -110032.1788 297.8886 -161865.8075 -109668.4483 298.3998 49.7082 78.7057 759940.3949 -6.2071 -6.0786 PRESSURE: 4868200 -193.486 176.801 49.2122 176.801 42.0404 107.015 49.2131 107.015 -114.581 GPRESSURE: 4868200 -180.493 175.85 28.4352 139.81 116.094 138.607 69.0315 94.6167 -104.361 PRESSAVG: 4868200 2.04277 20.4577 19.5086 20.4577 13.9188 35.5789 19.5086 35.5789 -11.8496 GPRESSAVG: 4868200 0.826169 20.5095 19.1266 21.4235 14.3608 36.1367 22.2573 35.1701 -11.5784 TIMING: 4868200 CPU: 15435.5, 0.0031171/step Wall: 15435.5, 0.0031171/step, 0.114121 hours remaining, 239.457031 MB of memory in use. ENERGY: 4868200 3904.1181 20536.9440 14418.5506 237.3555 -203735.5323 2574.6273 0.0000 0.0000 51996.9771 -110066.9597 298.8273 -162063.9368 -109712.6776 298.3105 -88.6756 -56.2532 759380.8394 1.3706 1.2029 LDB: ============= START OF LOAD BALANCING ============== 15448 LDB: ============== END OF LOAD BALANCING =============== 15448 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15448 LDB: ============= START OF LOAD BALANCING ============== 15448.3 LDB: Largest compute 7031 load 0.033488 is 17.1% of average load 0.195611 LDB: Average compute 0.004358 is 2.2% of average load 0.195611 LDB: TIME 15448.3 LOAD: AVG 0.195611 MAX 0.216689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.48 MB LDB: TIME 15448.3 LOAD: AVG 0.195611 MAX 0.216689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.684 MB LDB: TIME 15448.3 LOAD: AVG 0.195611 MAX 0.216689 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.684 MB LDB: ============== END OF LOAD BALANCING =============== 15448.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15448.3 PRESSURE: 4868400 25.9682 -62.0776 -77.6909 -62.0782 -228.958 46.0801 -77.6908 46.0797 -113.629 GPRESSURE: 4868400 1.68529 -14.2375 -97.4667 91.9974 -100.442 138.634 -179.896 7.76686 -122.793 PRESSAVG: 4868400 5.48082 57.4846 23.845 57.4846 18.1551 17.6482 23.845 17.6482 -4.36714 GPRESSAVG: 4868400 6.17797 55.5943 24.8091 57.157 17.5358 19.2431 20.4343 17.6682 -3.97773 TIMING: 4868400 CPU: 15436.2, 0.00320224/step Wall: 15436.2, 0.00320224/step, 0.11706 hours remaining, 240.792969 MB of memory in use. ENERGY: 4868400 3946.2472 20457.2271 14530.9058 252.5530 -203652.6583 2521.1776 0.0000 0.0000 51832.6110 -110111.9365 297.8827 -161944.5475 -109757.5710 298.4167 -105.5396 -73.8500 759452.8117 6.4229 6.5787 PRESSURE: 4868600 146.632 108.871 18.7641 108.87 -81.7657 148.398 18.7636 148.398 -27.7554 GPRESSURE: 4868600 178.28 107.753 -68.5182 -83.0543 -4.62635 222.552 158.285 86.7535 -55.4489 PRESSAVG: 4868600 41.2732 13.1842 -1.10828 13.1842 7.73532 -32.0444 -1.1083 -32.0443 10.3028 GPRESSAVG: 4868600 39.985 14.0743 -4.73385 12.6668 9.58752 -33.287 3.39804 -30.6047 9.7126 TIMING: 4868600 CPU: 15436.8, 0.0031235/step Wall: 15436.8, 0.0031235/step, 0.114008 hours remaining, 240.792969 MB of memory in use. ENERGY: 4868600 3959.4299 20473.5696 14494.5919 249.2269 -203650.7252 2422.6285 0.0000 0.0000 51855.9207 -110195.3576 298.0167 -162051.2783 -109835.5449 297.7123 12.3702 39.4017 759584.4964 19.7704 19.7617 PRESSURE: 4868800 -339.439 -161.733 27.7996 -161.733 253.999 79.4516 27.7996 79.4515 -382.836 GPRESSURE: 4868800 -232.215 79.1577 -23.9617 -173.093 173.544 108.068 -87.6482 19.4317 -331.251 PRESSAVG: 4868800 -111.97 33.3169 31.2793 33.3168 26.5272 -53.6107 31.2794 -53.6107 -24.5916 GPRESSAVG: 4868800 -110.063 33.9768 32.556 32.7864 24.7681 -53.1467 27.4709 -54.3757 -24.7595 TIMING: 4868800 CPU: 15437.4, 0.00312066/step Wall: 15437.4, 0.00312066/step, 0.113731 hours remaining, 240.792969 MB of memory in use. ENERGY: 4868800 4012.9202 20422.1048 14440.6905 247.4471 -203172.6885 2348.4507 0.0000 0.0000 51738.2721 -109962.8030 297.3406 -161701.0751 -109601.9107 297.9735 -156.0920 -129.9739 760645.2307 -36.6783 -36.6847 PRESSURE: 4869000 -13.5531 109.047 -46.1067 109.048 -75.4282 90.4461 -46.1064 90.4456 58.6436 GPRESSURE: 4869000 3.29933 120.769 41.8702 97.702 -25.4379 61.8289 -90.276 127.314 58.0112 PRESSAVG: 4869000 -3.04312 -41.0161 -16.7181 -41.0161 37.8857 -15.0776 -16.718 -15.0777 -8.58681 GPRESSAVG: 4869000 -5.01563 -41.3917 -14.9841 -40.8858 39.2812 -15.6318 -16.2803 -14.768 -8.94782 TIMING: 4869000 CPU: 15438, 0.00314528/step Wall: 15438, 0.00314528/step, 0.114453 hours remaining, 240.792969 MB of memory in use. ENERGY: 4869000 4072.2310 20584.5290 14510.4506 242.6161 -203725.0091 2595.7621 0.0000 0.0000 51801.8387 -109917.5817 297.7059 -161719.4203 -109572.1447 298.1273 -10.1126 11.9575 760187.7896 8.7519 8.4393 PRESSURE: 4869200 -314.348 -36.8559 24.1661 -36.8567 13.6616 -25.9231 24.1656 -25.9231 24.089 GPRESSURE: 4869200 -223.663 -39.6841 37.0076 13.1897 39.7211 -86.6149 -6.34726 -40.0128 12.448 PRESSAVG: 4869200 -26.1191 55.579 -19.9263 55.5791 -4.78841 38.9458 -19.9263 38.9458 -11.9255 GPRESSAVG: 4869200 -26.1147 56.3185 -20.6184 55.0394 -4.8509 38.8503 -20.1902 39.6958 -11.5559 TIMING: 4869200 CPU: 15438.7, 0.00313838/step Wall: 15438.7, 0.00313838/step, 0.114028 hours remaining, 240.792969 MB of memory in use. ENERGY: 4869200 4051.0514 20380.4560 14579.4605 254.1656 -203833.9127 2514.1030 0.0000 0.0000 52307.4994 -109747.1769 300.6119 -162054.6763 -109380.3440 298.4320 -92.1992 -57.1645 761010.5168 -14.2777 -14.1738 PRESSURE: 4869400 -148.815 44.4846 -26.5025 44.4851 -203.552 -8.87549 -26.5024 -8.87588 -339.746 GPRESSURE: 4869400 -167.75 -142.479 -67.8282 44.8693 -75.4612 -42.3768 -83.3957 16.2184 -362.821 PRESSAVG: 4869400 -21.5781 -7.76602 -44.3478 -7.766 25.4643 -37.6133 -44.3479 -37.6132 14.8984 GPRESSAVG: 4869400 -21.2698 -10.8963 -45.3603 -5.40698 25.3475 -37.0876 -43.3503 -37.9995 15.3283 TIMING: 4869400 CPU: 15439.3, 0.00314029/step Wall: 15439.3, 0.00314029/step, 0.113923 hours remaining, 240.792969 MB of memory in use. ENERGY: 4869400 3996.7713 20463.4367 14517.2601 241.8412 -203717.6232 2591.4519 0.0000 0.0000 52141.2726 -109765.5893 299.6566 -161906.8619 -109392.4768 298.9314 -230.7043 -202.0106 760195.6963 6.2615 6.4687 PRESSURE: 4869600 225.298 -91.7083 52.5787 -91.7073 63.5715 -52.1256 52.5794 -52.1261 -90.2411 GPRESSURE: 4869600 238.549 -42.5724 -9.78743 -90.2414 83.8349 -75.9161 45.1586 -113.487 -52.2953 PRESSAVG: 4869600 46.5747 -19.7637 -9.03194 -19.7638 -27.4163 -1.66075 -9.03193 -1.66072 17.2358 GPRESSAVG: 4869600 47.2901 -18.0369 -7.55588 -22.0883 -29.6349 -1.56661 -7.48528 -4.12268 18.2463 TIMING: 4869600 CPU: 15439.9, 0.00313995/step Wall: 15439.9, 0.00313995/step, 0.113736 hours remaining, 240.792969 MB of memory in use. ENERGY: 4869600 3906.5958 20666.8260 14517.6584 251.1263 -203183.9362 2212.3976 0.0000 0.0000 51660.6709 -109968.6611 296.8946 -161629.3320 -109614.4704 298.8275 66.2093 90.0296 758905.9808 12.1314 11.9672 PRESSURE: 4869800 -234.145 153.432 -226.255 153.431 -41.3557 -31.7639 -226.254 -31.764 417.539 GPRESSURE: 4869800 -64.5182 196.586 -207.415 179.847 -40.2235 -36.4246 -213.65 -41.9119 336.863 PRESSAVG: 4869800 53.2879 24.7618 13.522 24.7618 -33.9942 -3.63718 13.522 -3.63717 -16.8382 GPRESSAVG: 4869800 53.2576 26.7786 13.8227 24.919 -33.73 -4.3344 10.2503 -2.9981 -17.0202 TIMING: 4869800 CPU: 15440.6, 0.00314354/step Wall: 15440.6, 0.00314354/step, 0.113691 hours remaining, 240.792969 MB of memory in use. ENERGY: 4869800 3945.4453 20392.4150 14448.5355 248.4332 -203256.5484 2491.2186 0.0000 0.0000 51830.5042 -109899.9966 297.8706 -161730.5008 -109532.6624 298.0678 47.3461 77.3739 759593.6534 0.8185 0.8358 PRESSURE: 4870000 -110.202 -142.231 47.4864 -142.231 -231.486 147.613 47.486 147.613 113.754 GPRESSURE: 4870000 -136.242 -208.602 90.2152 -145.12 -20.2738 135.635 -0.360627 109.44 4.4255 PRESSAVG: 4870000 77.9314 24.8266 20.2698 24.8266 -77.4864 -16.2617 20.2697 -16.2617 -5.05015 GPRESSAVG: 4870000 77.9368 23.2744 19.316 25.3712 -75.0028 -15.7722 23.1317 -15.1991 -7.84693 TIMING: 4870000 CPU: 15441.2, 0.00312875/step Wall: 15441.2, 0.00312875/step, 0.112983 hours remaining, 240.792969 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: 4870000 3958.9088 20582.7583 14387.7060 257.9641 -203571.2001 2392.0892 0.0000 0.0000 52052.5520 -109939.2218 299.1467 -161991.7737 -109581.3901 298.1538 -75.9782 -50.6967 758991.8933 -1.5351 -1.6376 PRESSURE: 4870200 -245.259 53.7034 171.867 53.7036 -414.417 64.8662 171.867 64.8666 255.87 GPRESSURE: 4870200 -329.925 179.84 191.357 -3.26357 -216.761 121.312 1.3798 29.5079 229.953 PRESSAVG: 4870200 -32.9772 -20.253 -8.00148 -20.2529 31.3441 19.7774 -8.00158 19.7773 -10.74 GPRESSAVG: 4870200 -33.1033 -19.028 -6.51296 -20.2471 30.7722 18.8523 -11.3498 21.2165 -10.248 TIMING: 4870200 CPU: 15441.8, 0.00312098/step Wall: 15441.8, 0.00312098/step, 0.112529 hours remaining, 240.792969 MB of memory in use. ENERGY: 4870200 4066.0504 20531.5814 14471.2952 233.7112 -203345.8394 2230.5702 0.0000 0.0000 51855.4081 -109957.2230 298.0137 -161812.6311 -109612.3626 298.9917 -134.6020 -105.5776 760164.4102 -4.1244 -4.1930 PRESSURE: 4870400 -25.3714 70.0121 52.6292 70.0121 315.476 134.074 52.6293 134.073 -0.575082 GPRESSURE: 4870400 38.4634 35.7596 192.885 -112.797 299.278 93.4717 -72.2858 181.739 29.8051 PRESSAVG: 4870400 -11.7489 49.8357 -0.407225 49.8357 -18.6804 -4.37885 -0.407267 -4.37889 -22.9553 GPRESSAVG: 4870400 -11.7443 47.6838 -1.30402 48.9841 -19.1288 -4.69366 2.3458 -5.79315 -22.4786 TIMING: 4870400 CPU: 15442.4, 0.00313085/step Wall: 15442.4, 0.00313085/step, 0.112711 hours remaining, 240.792969 MB of memory in use. ENERGY: 4870400 3906.4440 20602.0835 14495.0295 246.2649 -203659.3911 2691.8080 0.0000 0.0000 51912.2309 -109805.5301 298.3403 -161717.7610 -109454.6039 298.6977 96.5099 122.5155 759459.4505 -17.7949 -17.7839 PRESSURE: 4870600 -21.2947 -53.835 -82.6794 -53.8346 -68.8428 -136.535 -82.6804 -136.533 162.931 GPRESSURE: 4870600 -60.2068 -7.98476 -24.3199 -3.96253 -39.1486 -110.046 -47.8858 -54.7914 255.69 PRESSAVG: 4870600 34.9685 -8.51818 40.8085 -8.51811 -2.31889 -26.4727 40.8085 -26.4728 41.277 GPRESSAVG: 4870600 34.5867 -4.97643 41.8741 -8.05702 -2.23622 -25.5275 40.3597 -25.7042 41.2257 TIMING: 4870600 CPU: 15443.1, 0.00312915/step Wall: 15443.1, 0.00312915/step, 0.112475 hours remaining, 240.792969 MB of memory in use. ENERGY: 4870600 3966.9130 20541.3370 14462.6960 248.2613 -203620.1806 2620.7987 0.0000 0.0000 52003.7166 -109776.4579 298.8661 -161780.1745 -109414.7923 299.0079 24.2645 52.1116 760855.7458 24.6422 24.5254 PRESSURE: 4870800 50.5935 50.7603 -116.765 50.7601 -180.348 267.116 -116.765 267.117 142.17 GPRESSURE: 4870800 -46.6599 145.547 -200.261 102.093 -67.4076 282.627 39.9868 337.217 224.201 PRESSAVG: 4870800 -28.0193 -26.7308 48.7821 -26.7307 32.0698 -0.22387 48.782 -0.223776 25.528 GPRESSAVG: 4870800 -27.2691 -27.8309 47.3661 -25.8012 30.9984 0.83337 48.9733 -0.597327 26.0979 TIMING: 4870800 CPU: 15443.7, 0.00313959/step Wall: 15443.7, 0.00313959/step, 0.112676 hours remaining, 240.792969 MB of memory in use. ENERGY: 4870800 3995.1536 20463.3119 14504.6371 259.7892 -203526.5714 2478.0630 0.0000 0.0000 52049.2797 -109776.3370 299.1279 -161825.6167 -109412.0782 298.7413 4.1385 36.7111 759372.2558 9.8595 9.9424 PRESSURE: 4871000 -32.0006 -109.593 87.1133 -109.593 -53.9907 -23.601 87.114 -23.6002 -169.108 GPRESSURE: 4871000 8.76188 -73.8309 28.2294 -65.6949 -69.6341 18.4422 89.7726 -18.9857 -95.2775 PRESSAVG: 4871000 9.04752 -18.4022 46.3798 -18.4022 -29.6916 35.9157 46.3798 35.9157 -0.284286 GPRESSAVG: 4871000 7.86936 -19.6708 47.6855 -17.7149 -28.5016 35.2794 45.5259 34.7997 -0.471279 TIMING: 4871000 CPU: 15444.3, 0.00312276/step Wall: 15444.3, 0.00312276/step, 0.111899 hours remaining, 240.792969 MB of memory in use. ENERGY: 4871000 4013.0212 20511.4210 14412.5446 240.6577 -203704.3545 2718.2133 0.0000 0.0000 51848.6955 -109959.8013 297.9752 -161808.4968 -109582.9567 298.7306 -85.0332 -52.0499 759604.0926 -6.9761 -7.0345 PRESSURE: 4871200 11.6928 20.0601 185.921 20.0605 -179.289 -59.0898 185.92 -59.0898 21.8913 GPRESSURE: 4871200 32.8578 104.908 173.682 -26.0123 -142.57 -5.11363 53.8637 -91.9897 36.798 PRESSAVG: 4871200 -4.29582 -39.2542 1.54795 -39.2541 21.7333 8.36808 1.54798 8.36804 -5.02652 GPRESSAVG: 4871200 -3.4365 -37.135 2.22596 -38.9122 21.7496 7.84299 0.467067 8.79946 -5.77906 TIMING: 4871200 CPU: 15444.9, 0.00314353/step Wall: 15444.9, 0.00314353/step, 0.112469 hours remaining, 240.792969 MB of memory in use. ENERGY: 4871200 3943.0413 20654.3545 14509.9263 243.4055 -203380.5729 2224.4664 0.0000 0.0000 51931.1793 -109874.1996 298.4492 -161805.3789 -109511.4025 298.5678 -48.5682 -24.3046 759106.1741 4.1370 4.1780 PRESSURE: 4871400 -110.6 120.758 -83.5691 120.758 41.0968 -102.083 -83.5688 -102.083 402.714 GPRESSURE: 4871400 -22.3072 -70.2622 -61.1018 53.0848 71.0941 -51.9675 58.0707 0.805046 364.087 PRESSAVG: 4871400 -37.0222 -4.01063 19.5366 -4.01063 11.5154 -26.4411 19.5366 -26.4411 0.559542 GPRESSAVG: 4871400 -37.8963 -6.55022 20.7914 -4.35378 11.7103 -25.3631 19.2461 -27.4078 0.646372 TIMING: 4871400 CPU: 15445.6, 0.00314143/step Wall: 15445.6, 0.00314143/step, 0.112219 hours remaining, 240.792969 MB of memory in use. ENERGY: 4871400 3912.2112 20361.4901 14475.6623 244.1409 -203738.4414 2659.6605 0.0000 0.0000 52152.9389 -109932.3374 299.7237 -162085.2764 -109569.0916 298.7395 111.0700 137.6248 758987.6684 -8.3158 -8.5132 PRESSURE: 4871600 -643.03 -98.0268 154.482 -98.0278 -4.91677 18.0327 154.482 18.033 -333.651 GPRESSURE: 4871600 -599.575 -148.006 131.574 80.3781 28.2929 -11.2992 167.905 50.3959 -333.736 PRESSAVG: 4871600 -60.0518 -9.75894 21.5333 -9.75898 54.0167 25.745 21.5333 25.745 -4.89127 GPRESSAVG: 4871600 -58.4804 -9.56368 20.2117 -11.9054 52.2941 25.4349 23.5991 26.854 -5.00045 TIMING: 4871600 CPU: 15446.2, 0.00312797/step Wall: 15446.2, 0.00312797/step, 0.111564 hours remaining, 240.792969 MB of memory in use. ENERGY: 4871600 4070.3678 20462.4375 14473.5960 238.2218 -203463.7703 2316.2216 0.0000 0.0000 51905.9020 -109997.0235 298.3039 -161902.9255 -109625.7389 298.4290 -327.1990 -301.6727 759668.7499 -3.6421 -3.7289 PRESSURE: 4871800 -113.838 5.20933 17.8386 5.2097 -89.4016 -38.5744 17.8388 -38.5739 -76.2963 GPRESSURE: 4871800 -149.345 -19.8231 41.692 6.9477 -21.3749 -102.551 23.357 -8.04472 -44.14 PRESSAVG: 4871800 -6.99633 -25.8163 38.1283 -25.8163 9.48162 3.11911 38.1283 3.11907 -4.38268 GPRESSAVG: 4871800 -7.92728 -26.6005 38.3581 -23.434 10.5702 2.57158 37.3741 1.61412 -4.77239 TIMING: 4871800 CPU: 15446.8, 0.00313675/step Wall: 15446.8, 0.00313675/step, 0.111703 hours remaining, 240.792969 MB of memory in use. ENERGY: 4871800 4045.1582 20466.5293 14501.8875 225.7769 -204118.3167 2868.5310 0.0000 0.0000 52060.6414 -109949.7925 299.1932 -162010.4338 -109579.5229 298.5608 -93.1785 -71.6201 759439.8229 -0.6325 -0.7098 PRESSURE: 4872000 -449.103 -108.297 127.6 -108.297 -231.014 262.564 127.6 262.563 -140.378 GPRESSURE: 4872000 -364.347 -56.759 174.203 -60.3682 -266.445 273.986 55.7781 217.359 -115.207 PRESSAVG: 4872000 46.7808 -12.9861 36.0043 -12.9862 5.80484 -4.4541 36.0044 -4.4541 23.8313 GPRESSAVG: 4872000 46.8172 -11.5669 37.8699 -12.8573 5.83264 -4.28051 34.0852 -2.5183 23.2613 TIMING: 4872000 CPU: 15447.4, 0.00312869/step Wall: 15447.4, 0.00312869/step, 0.111242 hours remaining, 240.792969 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: 4872000 3946.3199 20487.0220 14501.1246 253.0680 -203718.1571 2589.1381 0.0000 0.0000 51976.2045 -109965.2799 298.7080 -161941.4844 -109610.3205 298.1887 -273.4986 -248.6663 759882.0008 25.4723 25.3037 PRESSURE: 4872200 -106.946 -124.856 -79.9786 -124.856 -160.316 62.1127 -79.9779 62.1117 174.47 GPRESSURE: 4872200 -69.9332 -166.17 -46.1026 -25.1334 -157.306 77.4742 0.0890779 86.6929 220.1 PRESSAVG: 4872200 17.6191 16.9331 56.8631 16.9331 18.6344 -3.09192 56.8631 -3.09185 28.5574 GPRESSAVG: 4872200 18.375 16.0949 54.0528 14.7676 17.4603 -3.2925 61.1173 -3.69949 29.411 TIMING: 4872200 CPU: 15448.1, 0.00310938/step Wall: 15448.1, 0.00310938/step, 0.110383 hours remaining, 240.792969 MB of memory in use. ENERGY: 4872200 3929.9797 20574.7206 14434.0015 244.5210 -203394.0304 2507.1846 0.0000 0.0000 51876.3098 -109827.3133 298.1339 -161703.6230 -109463.0840 298.7748 -30.9307 -2.3798 760617.6759 21.6036 21.7488 LDB: ============= START OF LOAD BALANCING ============== 15460.5 LDB: ============== END OF LOAD BALANCING =============== 15460.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15460.5 LDB: ============= START OF LOAD BALANCING ============== 15460.8 LDB: Largest compute 7027 load 0.032829 is 16.8% of average load 0.195537 LDB: Average compute 0.004394 is 2.2% of average load 0.195537 LDB: TIME 15460.8 LOAD: AVG 0.195537 MAX 0.217531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.684 MB LDB: TIME 15460.8 LOAD: AVG 0.195537 MAX 0.217531 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.684 MB LDB: TIME 15460.8 LOAD: AVG 0.195537 MAX 0.217531 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.684 MB LDB: ============== END OF LOAD BALANCING =============== 15460.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15460.8 PRESSURE: 4872400 263.098 -185.395 190.252 -185.396 -120.375 146.581 190.251 146.581 -22.6962 GPRESSURE: 4872400 232.816 -141.664 176.639 -109.966 -54.6665 94.7857 144.379 232.786 19.7315 PRESSAVG: 4872400 -27.7544 3.55693 2.42602 3.557 29.3923 4.17367 2.42604 4.17374 -3.64583 GPRESSAVG: 4872400 -27.9742 4.42705 3.85455 3.407 30.1185 5.5705 1.66736 5.73805 -3.72676 TIMING: 4872400 CPU: 15448.7, 0.00318198/step Wall: 15448.7, 0.00318198/step, 0.112784 hours remaining, 240.597656 MB of memory in use. ENERGY: 4872400 3983.5695 20423.3791 14447.4221 267.2953 -203511.7771 2683.9650 0.0000 0.0000 51960.4393 -109745.7068 298.6174 -161706.1461 -109379.8053 298.6523 40.0089 65.9605 761471.3881 -0.6693 -0.5275 PRESSURE: 4872600 -145.906 -83.5868 -103.008 -83.5863 -373.246 141.645 -103.006 141.647 -185.348 GPRESSURE: 4872600 -80.5206 -53.7794 -50.406 -176.067 -287.974 116.436 -110.524 51.6324 -235.542 PRESSAVG: 4872600 8.71922 -80.6056 44.5413 -80.6056 -24.4754 10.9992 44.5413 10.9992 -19.4478 GPRESSAVG: 4872600 8.70147 -82.6137 43.9927 -80.4972 -23.8123 9.40733 43.8687 12.0876 -19.3397 TIMING: 4872600 CPU: 15449.3, 0.00313128/step Wall: 15449.3, 0.00313128/step, 0.110812 hours remaining, 240.597656 MB of memory in use. ENERGY: 4872600 3981.2978 20486.6364 14455.4048 239.0300 -203483.1914 2621.3852 0.0000 0.0000 52092.4528 -109606.9843 299.3760 -161699.4371 -109250.5035 299.1015 -234.8335 -201.3454 762791.5583 -11.7347 -11.4835 PRESSURE: 4872800 133.996 99.3322 -140.086 99.3319 -297.705 -103.384 -140.087 -103.385 72.6001 GPRESSURE: 4872800 149.216 60.9089 -157.458 0.472469 -267.689 -18.2258 -141.987 -126.365 126.577 PRESSAVG: 4872800 43.6736 -30.1622 56.1154 -30.1622 -16.5265 4.23818 56.1154 4.23814 6.64548 GPRESSAVG: 4872800 43.4691 -28.8694 56.7164 -30.5975 -15.5974 4.99401 56.3656 2.27576 6.32411 TIMING: 4872800 CPU: 15450, 0.00311947/step Wall: 15450, 0.00311947/step, 0.110221 hours remaining, 240.597656 MB of memory in use. ENERGY: 4872800 3913.7863 20644.9144 14552.4101 239.6834 -203556.1272 2549.1465 0.0000 0.0000 52051.1758 -109605.0107 299.1388 -161656.1865 -109244.7715 299.1614 -30.3695 2.7011 759854.1085 11.2642 11.3986 PRESSURE: 4873000 -233.529 136.771 -27.0205 136.771 -63.8647 -82.872 -27.0192 -82.8715 15.5866 GPRESSURE: 4873000 -232.646 48.911 56.8903 103.487 -79.746 -96.8565 -148.033 -124.983 100.656 PRESSAVG: 4873000 39.4649 54.2159 39.3239 54.2159 -25.1724 25.2081 39.3238 25.208 -21.0288 GPRESSAVG: 4873000 40.0201 54.9683 38.2026 53.6541 -25.8171 22.9314 38.0719 25.0769 -21.0327 TIMING: 4873000 CPU: 15450.6, 0.00310743/step Wall: 15450.6, 0.00310743/step, 0.109623 hours remaining, 240.597656 MB of memory in use. ENERGY: 4873000 3993.6364 20612.1313 14464.8406 249.4967 -203096.0013 2065.2216 0.0000 0.0000 51995.2856 -109715.3891 298.8176 -161710.6747 -109355.5660 298.6262 -93.9357 -70.5787 762383.0551 -2.2454 -2.2766 PRESSURE: 4873200 -101.74 166.269 152.898 166.27 -151.006 -5.66078 152.898 -5.662 -247.948 GPRESSURE: 4873200 -55.4803 154.155 241.021 148.526 -152.327 35.2804 111.607 -161.614 -203.954 PRESSAVG: 4873200 60.9066 -4.549 25.1123 -4.54891 -26.0197 21.163 25.1123 21.1629 6.73929 GPRESSAVG: 4873200 61.3942 -5.20673 26.0516 -3.13375 -27.7554 22.6421 24.6116 21.8399 7.74199 TIMING: 4873200 CPU: 15451.2, 0.00313811/step Wall: 15451.2, 0.00313811/step, 0.110531 hours remaining, 240.597656 MB of memory in use. ENERGY: 4873200 3990.9682 20515.2468 14433.9464 242.3181 -203322.8863 2326.1946 0.0000 0.0000 52016.1855 -109798.0268 298.9377 -161814.2122 -109422.7401 299.0435 -166.8982 -137.2536 760323.1376 13.8754 13.7936 PRESSURE: 4873400 7.78054 242.955 -95.4501 242.953 -306.835 -110.213 -95.4499 -110.213 -599.146 GPRESSURE: 4873400 24.7882 153.228 18.5784 326.344 -273.182 -139.237 10.1686 -138.748 -566.229 PRESSAVG: 4873400 -37.1145 21.4639 2.59451 21.4639 14.135 -10.2553 2.59452 -10.2553 -6.17436 GPRESSAVG: 4873400 -37.3019 19.6921 2.7191 22.4743 15.1302 -9.3801 3.67943 -12.7932 -6.98881 TIMING: 4873400 CPU: 15451.8, 0.00313847/step Wall: 15451.8, 0.00313847/step, 0.11037 hours remaining, 240.597656 MB of memory in use. ENERGY: 4873400 3980.9585 20529.0371 14434.3403 233.6954 -203083.7154 2356.8463 0.0000 0.0000 51772.1586 -109776.6793 297.5353 -161548.8379 -109410.4407 298.6282 -299.4002 -271.5412 761163.0877 -9.7180 -9.7202 PRESSURE: 4873600 -312.523 76.5354 -193.573 76.5349 -145.887 -94.7408 -193.574 -94.7413 -119.487 GPRESSURE: 4873600 -158.313 106.857 -205.407 21.2183 -142.339 -128.369 -131.95 34.9984 -205.716 PRESSAVG: 4873600 -44.4305 -16.923 -28.6248 -16.923 27.2579 19.1196 -28.6247 19.1195 -12.5591 GPRESSAVG: 4873600 -44.3474 -16.1424 -30.8476 -17.8679 26.6753 18.8048 -28.9038 21.7756 -11.8453 TIMING: 4873600 CPU: 15452.5, 0.00315042/step Wall: 15452.5, 0.00315042/step, 0.110615 hours remaining, 240.597656 MB of memory in use. ENERGY: 4873600 4010.7573 20584.8433 14577.5972 252.9907 -203847.4524 2573.2557 0.0000 0.0000 52105.1095 -109742.8988 299.4488 -161848.0083 -109383.1943 298.6610 -192.6324 -168.7894 761858.5736 -9.9106 -9.8392 PRESSURE: 4873800 261.883 -42.2617 -312.466 -42.2627 376.662 197.615 -312.466 197.614 -101.268 GPRESSURE: 4873800 317.47 -126.3 -199.827 65.9234 403.417 229.997 -202.741 173.471 -93.9563 PRESSAVG: 4873800 2.60967 -10.3184 -8.44676 -10.3184 3.95479 9.56871 -8.4468 9.56866 -13.8277 GPRESSAVG: 4873800 3.77958 -9.09724 -7.50479 -12.344 3.86154 9.63 -6.61702 7.79442 -14.7457 TIMING: 4873800 CPU: 15453.1, 0.00314301/step Wall: 15453.1, 0.00314301/step, 0.11018 hours remaining, 240.597656 MB of memory in use. ENERGY: 4873800 3933.5208 20472.9542 14488.4341 236.2797 -203656.4439 2340.7526 0.0000 0.0000 52201.4996 -109983.0029 300.0027 -162184.5025 -109618.0958 298.5747 179.0924 208.9769 759012.0666 -2.4211 -2.3682 PRESSURE: 4874000 94.2187 109.74 -9.27527 109.74 -100.984 167.315 -9.27535 167.314 104.487 GPRESSURE: 4874000 178.778 118.281 47.1201 153.394 -18.4581 86.2563 -8.97077 128.495 26.6671 PRESSAVG: 4874000 23.3822 -6.64892 18.0466 -6.649 -35.9714 0.948422 18.0466 0.948401 -13.2459 GPRESSAVG: 4874000 21.2377 -5.33458 17.3206 -5.93623 -34.0217 0.937281 15.8532 4.00986 -13.2214 TIMING: 4874000 CPU: 15453.7, 0.00312494/step Wall: 15453.7, 0.00312494/step, 0.109373 hours remaining, 240.597656 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: 4874000 4070.2088 20500.4756 14560.9552 262.7291 -204033.9142 2806.3510 0.0000 0.0000 51894.4183 -109938.7761 298.2379 -161833.1945 -109583.1445 298.7856 32.5738 62.3289 759758.3051 -8.6117 -8.6684 PRESSURE: 4874200 64.2961 119.79 30.6255 119.79 43.5197 -55.2607 30.6253 -55.2605 -91.7174 GPRESSURE: 4874200 49.1778 182.828 96.5658 38.8534 168.849 -4.13171 -49.2996 -158.985 -114.205 PRESSAVG: 4874200 -11.1785 -28.4118 5.82854 -28.4118 38.5605 35.3494 5.8285 35.3494 21.761 GPRESSAVG: 4874200 -10.6602 -29.8281 5.48814 -27.1499 37.9687 34.9298 5.89653 33.4131 21.756 TIMING: 4874200 CPU: 15454.3, 0.00313708/step Wall: 15454.3, 0.00313708/step, 0.109623 hours remaining, 240.597656 MB of memory in use. ENERGY: 4874200 3982.7912 20618.0404 14569.4071 246.2840 -203907.1052 2463.0553 0.0000 0.0000 52137.6698 -109889.8573 299.6359 -162027.5272 -109518.7318 298.7664 5.3661 34.6073 758282.4587 16.3810 16.3548 PRESSURE: 4874400 142.959 -21.572 -6.14567 -21.572 155.063 109.575 -6.14575 109.575 65.3365 GPRESSURE: 4874400 180.403 -30.9848 -4.75922 -116.408 180.323 87.3938 17.729 -23.658 86.0284 PRESSAVG: 4874400 32.5435 -11.5402 -18.6954 -11.5402 -0.00985259 -43.0008 -18.6954 -43.0009 33.8524 GPRESSAVG: 4874400 31.8083 -12.7561 -16.2904 -12.8024 0.871387 -42.5671 -18.6702 -41.6482 34.0791 TIMING: 4874400 CPU: 15455, 0.00313666/step Wall: 15455, 0.00313666/step, 0.109435 hours remaining, 240.597656 MB of memory in use. ENERGY: 4874400 3932.2398 20477.4494 14489.5222 267.3509 -203980.7792 2752.1671 0.0000 0.0000 52190.2798 -109871.7701 299.9383 -162062.0499 -109500.4463 299.0135 121.1195 148.9179 758170.4200 22.1287 22.2529 PRESSURE: 4874600 -193.289 135.068 -71.7179 135.068 125.561 -375.01 -71.7185 -375.01 53.4047 GPRESSURE: 4874600 -102.542 -14.6448 -42.1096 82.7067 70.7748 -338.662 -80.4034 -293.893 87.6656 PRESSAVG: 4874600 1.61371 -20.224 19.2974 -20.224 10.6957 -54.6759 19.2973 -54.6759 9.72165 GPRESSAVG: 4874600 2.84141 -22.9204 18.0553 -18.6368 9.56622 -56.7259 18.0371 -54.2904 9.53772 TIMING: 4874600 CPU: 15455.6, 0.00315235/step Wall: 15455.6, 0.00315235/step, 0.109807 hours remaining, 240.597656 MB of memory in use. ENERGY: 4874600 4084.4322 20607.3035 14568.7852 260.8412 -203529.8851 2372.3834 0.0000 0.0000 52139.4419 -109496.6977 299.6461 -161636.1395 -109138.2266 299.0717 -4.7743 18.6327 760543.4145 7.3437 7.3151 PRESSURE: 4874800 92.2664 -33.005 64.5669 -33.0051 17.7261 116.599 64.5677 116.599 -128.927 GPRESSURE: 4874800 244.582 -153.033 -46.3591 -199.728 -11.4458 153.503 129.08 92.472 -181.171 PRESSAVG: 4874800 -39.6794 -25.3008 -11.3165 -25.3008 35.6956 8.65267 -11.3165 8.65272 -27.5745 GPRESSAVG: 4874800 -38.2899 -23.5846 -11.5216 -25.455 34.717 10.1302 -9.11115 8.90812 -28.3335 TIMING: 4874800 CPU: 15456.2, 0.00314318/step Wall: 15456.2, 0.00314318/step, 0.109313 hours remaining, 240.597656 MB of memory in use. ENERGY: 4874800 4019.4004 20623.4472 14449.3410 271.6407 -203585.2097 2486.2271 0.0000 0.0000 51996.5975 -109738.5556 298.8252 -161735.1532 -109377.1821 299.3189 -6.3115 17.3215 759944.9443 -10.5194 -10.6355 PRESSURE: 4875000 -10.8891 15.2342 138.427 15.235 -87.4963 54.8543 138.427 54.8557 -86.4253 GPRESSURE: 4875000 9.82476 -7.5548 233.172 -39.747 -51.556 178.846 49.2327 9.89218 -56.7377 PRESSAVG: 4875000 -44.4337 -44.6704 53.229 -44.6704 -2.63715 -30.3552 53.2289 -30.3552 7.67701 GPRESSAVG: 4875000 -45.0801 -43.3548 54.3213 -43.8982 -1.26917 -29.8999 54.083 -30.9533 7.04566 TIMING: 4875000 CPU: 15456.9, 0.0031436/step Wall: 15456.9, 0.0031436/step, 0.109153 hours remaining, 240.597656 MB of memory in use. ENERGY: 4875000 4050.0001 20631.9004 14444.1166 231.3651 -204025.9194 2823.4323 0.0000 0.0000 52081.2741 -109763.8310 299.3118 -161845.1050 -109403.8591 298.9668 -61.6036 -32.8230 759286.3889 -13.1313 -13.1012 PRESSURE: 4875200 127.648 -113.043 -46.8702 -113.043 -228.442 99.2714 -46.8699 99.2709 -214.226 GPRESSURE: 4875200 58.9167 -266.962 59.545 -155.355 -71.3922 63.0152 -68.0878 -35.3446 -204.027 PRESSAVG: 4875200 35.3739 -17.9522 -11.9145 -17.9522 25.6316 23.4538 -11.9145 23.4537 14.9924 GPRESSAVG: 4875200 34.056 -19.3158 -12.8747 -19.8687 25.8821 23.266 -14.3884 24.0909 16.0346 TIMING: 4875200 CPU: 15457.5, 0.00313935/step Wall: 15457.5, 0.00313935/step, 0.108831 hours remaining, 240.597656 MB of memory in use. ENERGY: 4875200 3970.2665 20470.7778 14493.5025 260.5978 -203431.9522 2454.6013 0.0000 0.0000 52114.1061 -109668.1004 299.5005 -161782.2064 -109299.6211 299.3420 -105.0064 -72.1673 758498.9834 25.3326 25.3242 PRESSURE: 4875400 -73.114 -22.3863 95.3431 -22.3869 272.597 235.905 95.3436 235.904 -148.263 GPRESSURE: 4875400 -73.147 -63.0534 71.46 -3.68967 247.109 252.35 130.171 155.693 -62.6968 PRESSAVG: 4875400 -38.1685 -17.3059 -12.158 -17.3059 37.7013 13.0598 -12.158 13.0599 -23.6537 GPRESSAVG: 4875400 -37.6937 -17.9934 -12.8298 -16.6033 36.4394 14.1389 -10.3413 11.3316 -23.4997 TIMING: 4875400 CPU: 15458.1, 0.00311616/step Wall: 15458.1, 0.00311616/step, 0.107854 hours remaining, 240.597656 MB of memory in use. ENERGY: 4875400 4029.9387 20615.0779 14498.8875 226.8395 -203330.2022 2394.0910 0.0000 0.0000 51951.3675 -109614.0002 298.5652 -161565.3677 -109249.9514 299.0701 17.0734 37.0883 758541.7107 -8.0403 -8.2513 PRESSURE: 4875600 204.25 -201.911 46.0166 -201.911 315.933 -218.976 46.0164 -218.976 -395.547 GPRESSURE: 4875600 124.052 -162.101 116.382 -158.004 369.726 -205.581 -8.66991 -92.5555 -281.2 PRESSAVG: 4875600 -7.67701 -49.8253 63.4355 -49.8253 37.6762 -32.1395 63.4356 -32.1394 16.4305 GPRESSAVG: 4875600 -8.48899 -47.7235 64.5999 -50.2873 37.8159 -32.4505 62.2631 -33.0694 17.3673 TIMING: 4875600 CPU: 15458.7, 0.00313176/step Wall: 15458.7, 0.00313176/step, 0.10822 hours remaining, 240.597656 MB of memory in use. ENERGY: 4875600 4080.6352 20498.6575 14480.7392 242.2717 -203708.7855 2686.0347 0.0000 0.0000 52157.9846 -109562.4627 299.7527 -161720.4473 -109198.4253 299.5701 41.5451 70.8590 759885.1537 15.4766 15.5647 PRESSURE: 4875800 -185.096 35.0749 -19.5914 35.0749 -158.811 -55.0964 -19.5914 -55.0974 -77.2324 GPRESSURE: 4875800 -100.442 1.00256 -72.2154 -112.305 -176.767 -16.0207 19.5727 52.6271 -33.4715 PRESSAVG: 4875800 -41.6905 -42.1481 51.1641 -42.1481 74.2687 -1.62719 51.1642 -1.62714 -22.7698 GPRESSAVG: 4875800 -40.6224 -43.6084 49.8355 -42.7587 74.3285 -1.78659 50.7226 0.61442 -23.8473 TIMING: 4875800 CPU: 15459.4, 0.00313882/step Wall: 15459.4, 0.00313882/step, 0.108289 hours remaining, 240.597656 MB of memory in use. ENERGY: 4875800 4001.6849 20512.0317 14471.0778 235.3369 -203473.0718 2469.8644 0.0000 0.0000 52185.9974 -109597.0787 299.9136 -161783.0761 -109233.7838 299.6029 -140.3798 -103.5600 760088.0944 3.2695 3.2863 PRESSURE: 4876000 -246.05 155.379 -64.0686 155.38 -140.104 -12.8275 -64.068 -12.8274 -19.0981 GPRESSURE: 4876000 -289.389 112.333 -115.053 165.281 -72.1557 -2.41239 -125.13 -14.413 41.1798 PRESSAVG: 4876000 -20.2456 -10.5791 -42.0551 -10.5791 32.784 32.4784 -42.055 32.4785 -1.99116 GPRESSAVG: 4876000 -20.6639 -10.512 -42.0536 -8.5968 32.5663 32.8742 -40.7477 31.7871 -1.62383 TIMING: 4876000 CPU: 15460, 0.00314407/step Wall: 15460, 0.00314407/step, 0.108296 hours remaining, 240.597656 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: 4876000 4084.2064 20636.0133 14462.6291 260.3899 -203589.5521 2416.4997 0.0000 0.0000 52165.7496 -109564.0640 299.7973 -161729.8136 -109200.7436 299.5001 -135.0841 -106.7882 758941.7943 3.5157 3.4262 PRESSURE: 4876200 -19.0409 74.8975 -76.2992 74.8977 -44.4379 -101.396 -76.2985 -101.395 -283.276 GPRESSURE: 4876200 -11.9956 166.328 -53.1558 33.4613 -33.0804 -42.8675 -136.301 -21.0373 -226.935 PRESSAVG: 4876200 -19.1658 21.186 33.2078 21.186 38.308 39.8234 33.2079 39.8234 -13.571 GPRESSAVG: 4876200 -19.1307 22.7768 34.7996 19.54 37.966 37.4911 31.7151 40.5643 -13.379 TIMING: 4876200 CPU: 15460.6, 0.00313033/step Wall: 15460.6, 0.00313033/step, 0.107648 hours remaining, 240.597656 MB of memory in use. ENERGY: 4876200 4074.5142 20656.3872 14525.0517 242.2168 -203529.2369 2445.8857 0.0000 0.0000 52145.1530 -109440.0283 299.6789 -161585.1813 -109077.6650 299.4843 -115.5850 -90.6704 759758.2563 1.8571 1.8188 LDB: ============= START OF LOAD BALANCING ============== 15473.1 LDB: ============== END OF LOAD BALANCING =============== 15473.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15473.1 LDB: ============= START OF LOAD BALANCING ============== 15473.4 LDB: Largest compute 7075 load 0.033783 is 17.3% of average load 0.195604 LDB: Average compute 0.004373 is 2.2% of average load 0.195604 LDB: TIME 15473.4 LOAD: AVG 0.195604 MAX 0.2178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.566 MB LDB: TIME 15473.4 LOAD: AVG 0.195604 MAX 0.2178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: TIME 15473.4 LOAD: AVG 0.195604 MAX 0.2178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.637 MB LDB: ============== END OF LOAD BALANCING =============== 15473.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15473.4 PRESSURE: 4876400 -50.015 -230.228 99.5935 -230.228 -103.585 120.376 99.5938 120.377 83.3701 GPRESSURE: 4876400 10.2856 -77.4852 159.179 -221.029 -72.6174 165.588 60.318 114.232 75.6628 PRESSAVG: 4876400 -32.2033 -31.0037 14.1149 -31.0037 47.4807 -25.1283 14.1149 -25.1283 -0.514085 GPRESSAVG: 4876400 -32.5067 -33.0526 12.9746 -30.3718 48.1184 -22.8716 12.6358 -24.8136 -0.766686 TIMING: 4876400 CPU: 15461.3, 0.00319041/step Wall: 15461.3, 0.00319041/step, 0.109537 hours remaining, 240.394531 MB of memory in use. ENERGY: 4876400 4023.7653 20566.4010 14476.6116 238.5539 -203715.4173 2794.1071 0.0000 0.0000 52140.8835 -109475.0949 299.6544 -161615.9784 -109106.5804 299.7574 -23.4101 4.4436 761363.9300 4.9211 4.9484 PRESSURE: 4876600 -215.32 -55.4478 110.881 -55.4472 46.325 -215.367 110.881 -215.366 -201.873 GPRESSURE: 4876600 -157.375 -92.8935 77.378 -42.7654 129.683 -263.508 100.079 -89.5789 -280.482 PRESSAVG: 4876600 9.55964 38.5192 19.0038 38.5192 -32.3994 -44.3318 19.0038 -44.3318 -6.34329 GPRESSAVG: 4876600 9.05848 38.4201 18.2056 37.2558 -31.85 -45.5883 20.8683 -44.0529 -7.12008 TIMING: 4876600 CPU: 15461.9, 0.00312425/step Wall: 15461.9, 0.00312425/step, 0.107093 hours remaining, 240.597656 MB of memory in use. ENERGY: 4876600 4115.9479 20740.7703 14408.3179 251.9837 -203356.1177 2274.7140 0.0000 0.0000 52310.0918 -109254.2922 300.6268 -161564.3840 -108898.9911 300.1007 -123.6226 -102.7244 760634.5739 -9.7277 -9.9705 PRESSURE: 4876800 -1.89166 21.8004 102.294 21.8005 317.511 27.0887 102.294 27.0891 167.633 GPRESSURE: 4876800 49.3442 2.23823 80.1498 64.593 320.601 38.9832 126.828 93.8465 197.077 PRESSAVG: 4876800 -18.0829 -21.2514 59.0483 -21.2513 23.9818 -24.3807 59.0483 -24.3807 1.73918 GPRESSAVG: 4876800 -18.5057 -19.3498 60.3693 -21.4169 22.906 -23.2493 58.3951 -25.722 3.11478 TIMING: 4876800 CPU: 15462.5, 0.00314237/step Wall: 15462.5, 0.00314237/step, 0.107539 hours remaining, 240.597656 MB of memory in use. ENERGY: 4876800 4071.7553 20552.3036 14479.1074 241.2734 -203232.8218 2501.9981 0.0000 0.0000 52170.0848 -109216.2992 299.8222 -161386.3841 -108854.0747 300.6294 161.0841 189.0072 759429.0855 2.5460 2.5051 PRESSURE: 4877000 -164.449 -168.615 76.5933 -168.615 -219.671 318.431 76.5935 318.431 -249.148 GPRESSURE: 4877000 -43.4083 -156.537 66.608 -271.52 -255.177 189.506 199.127 142.39 -240.597 PRESSAVG: 4877000 -10.6538 -19.0028 17.3244 -19.0028 2.30573 -5.02948 17.3245 -5.02948 -13.8889 GPRESSAVG: 4877000 -9.99764 -18.7566 15.7116 -18.5116 2.33304 -4.26114 17.9981 -7.14455 -14.6615 TIMING: 4877000 CPU: 15463.1, 0.00313441/step Wall: 15463.1, 0.00313441/step, 0.107092 hours remaining, 240.597656 MB of memory in use. ENERGY: 4877000 3980.9004 20723.7102 14439.4532 246.9712 -203314.4411 2197.5157 0.0000 0.0000 52351.6390 -109374.2514 300.8656 -161725.8904 -109008.3030 300.2639 -211.0892 -179.7274 760086.5158 -7.4123 -7.4420 PRESSURE: 4877200 192.563 -17.0881 130.594 -17.0888 -433.19 -23.4062 130.593 -23.4067 90.3037 GPRESSURE: 4877200 159.533 -209.841 198.495 -30.7289 -239.936 -57.1665 47.5117 24.3785 5.4717 PRESSAVG: 4877200 64.1069 -14.8356 6.02053 -14.8356 -10.6169 -8.42505 6.0206 -8.42506 5.74954 GPRESSAVG: 4877200 63.8813 -13.8179 6.02139 -13.3498 -9.85209 -8.83008 7.42907 -8.38896 5.16619 TIMING: 4877200 CPU: 15463.8, 0.00311743/step Wall: 15463.8, 0.00311743/step, 0.106339 hours remaining, 240.597656 MB of memory in use. ENERGY: 4877200 4000.4394 20657.1100 14492.5122 235.1561 -203463.0467 2521.2401 0.0000 0.0000 52183.8969 -109372.6919 299.9016 -161556.5888 -108996.3101 300.3844 -50.1077 -24.9771 759655.7132 19.7465 19.7318 PRESSURE: 4877400 -60.9284 -22.0399 53.0113 -22.0401 176.37 -186.702 53.0116 -186.702 -181.412 GPRESSURE: 4877400 -128.308 -28.8345 -33.4612 -51.1443 285.698 -146.348 156.473 -9.07933 -141.467 PRESSAVG: 4877400 -4.05684 -12.1374 17.3544 -12.1374 -6.34013 -5.34753 17.3544 -5.34755 0.950625 GPRESSAVG: 4877400 -4.47295 -12.9852 15.908 -14.5604 -7.55073 -7.69628 16.1185 -3.60172 2.45204 TIMING: 4877400 CPU: 15464.4, 0.00313393/step Wall: 15464.4, 0.00313393/step, 0.106728 hours remaining, 240.597656 MB of memory in use. ENERGY: 4877400 3981.0188 20572.4661 14476.9531 258.8605 -203306.9299 2647.1095 0.0000 0.0000 51972.3565 -109398.1653 298.6858 -161370.5218 -109034.8160 299.9696 -21.9901 5.3078 760335.9469 -3.1488 -3.1905 PRESSURE: 4877600 128.849 160.24 -81.7338 160.239 18.6536 144.895 -81.7328 144.895 7.78463 GPRESSURE: 4877600 201.71 120.524 -164.817 147.906 51.7858 116.983 -11.2141 29.8319 5.39513 PRESSAVG: 4877600 -19.1664 -30.1082 -9.87352 -30.1083 27.3216 -20.2903 -9.87344 -20.2901 -1.26753 GPRESSAVG: 4877600 -18.1001 -31.3098 -7.45369 -28.0494 26.8047 -18.9581 -8.57948 -19.1482 -1.78463 TIMING: 4877600 CPU: 15465, 0.00312141/step Wall: 15465, 0.00312141/step, 0.106128 hours remaining, 240.597656 MB of memory in use. ENERGY: 4877600 3930.6131 20534.0091 14469.0675 251.9139 -203394.2108 2784.1730 0.0000 0.0000 51943.3346 -109481.0995 298.5191 -161424.4341 -109122.1988 299.6546 51.7624 86.2969 759957.2925 2.2959 2.3067 PRESSURE: 4877800 204.344 171.823 13.9937 171.823 52.6116 49.7325 13.9934 49.7332 191.476 GPRESSURE: 4877800 211.442 46.0752 57.9376 186.454 155.368 -84.1386 39.3887 -13.444 177.637 PRESSAVG: 4877800 -7.9299 -38.7251 -30.7512 -38.7251 1.621 -35.2197 -30.7512 -35.2196 -8.33869 GPRESSAVG: 4877800 -7.59361 -38.9761 -29.5415 -40.0724 2.49593 -35.068 -31.4979 -35.178 -8.84838 TIMING: 4877800 CPU: 15465.6, 0.00312397/step Wall: 15465.6, 0.00312397/step, 0.106041 hours remaining, 240.597656 MB of memory in use. ENERGY: 4877800 3957.3200 20431.1886 14446.2066 236.5974 -203277.5530 2550.6026 0.0000 0.0000 52115.8145 -109539.8232 299.5103 -161655.6377 -109186.5147 298.7375 149.4771 181.4824 760962.4921 -4.8825 -4.6487 PRESSURE: 4878000 -160.685 15.5553 37.5909 15.5543 -134.55 -13.3309 37.5907 -13.33 30.1609 GPRESSURE: 4878000 -151.462 133.238 6.52776 69.543 -80.8353 57.6654 50.0663 67.6837 43.5701 PRESSAVG: 4878000 -16.4642 -29.9172 -20.3143 -29.9171 51.6823 23.846 -20.3143 23.846 -6.34662 GPRESSAVG: 4878000 -17.9088 -28.2738 -22.6378 -30.3286 52.8364 22.5244 -19.4371 23.3222 -5.79333 TIMING: 4878000 CPU: 15466.3, 0.00312419/step Wall: 15466.3, 0.00312419/step, 0.105875 hours remaining, 240.597656 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: 4878000 4029.8552 20504.2515 14473.8979 223.0464 -203576.5905 2541.6283 0.0000 0.0000 52206.9949 -109596.9163 300.0343 -161803.9112 -109230.7675 299.2148 -88.3578 -62.9091 758828.4263 9.6238 9.7114 PRESSURE: 4878200 229.701 -120.394 -56.1665 -120.395 -232.379 69.2739 -56.1667 69.2744 762.436 GPRESSURE: 4878200 312.738 -11.0602 21.8772 -147.177 -170.952 -2.34783 107.545 106.231 698.165 PRESSAVG: 4878200 -7.44159 2.81899 -24.0133 2.81889 13.3231 -6.86522 -24.0134 -6.86521 -5.71971 GPRESSAVG: 4878200 -6.9932 2.11065 -23.1615 4.51759 13.4251 -7.72011 -25.0806 -5.21299 -6.33945 TIMING: 4878200 CPU: 15466.9, 0.0031165/step Wall: 15466.9, 0.0031165/step, 0.105441 hours remaining, 240.597656 MB of memory in use. ENERGY: 4878200 3969.2628 20566.2054 14434.0104 266.1615 -203129.0094 2612.8200 0.0000 0.0000 51957.5883 -109322.9610 298.6010 -161280.5492 -108960.6416 299.1398 253.2526 279.9838 760531.9508 0.0539 0.0308 PRESSURE: 4878400 -186.31 -3.55485 -93.521 -3.55462 -93.4711 -93.2471 -93.5203 -93.2477 352.627 GPRESSURE: 4878400 -208.743 -101.852 -185.476 -23.2276 -37.7066 -57.2177 -120.672 -90.7005 377.806 PRESSAVG: 4878400 -13.616 10.6735 -30.7837 10.6734 2.72479 -31.2112 -30.7837 -31.2111 6.24206 GPRESSAVG: 4878400 -13.5573 10.4699 -30.6971 9.4974 2.04023 -30.2012 -32.8015 -32.0493 6.35539 TIMING: 4878400 CPU: 15467.5, 0.00312661/step Wall: 15467.5, 0.00312661/step, 0.10561 hours remaining, 240.597656 MB of memory in use. ENERGY: 4878400 3989.7221 20601.2602 14515.5690 262.3850 -203204.4901 2297.9107 0.0000 0.0000 52176.2919 -109361.3512 299.8579 -161537.6431 -108996.0644 299.7505 24.2821 43.7856 759439.0716 -1.5497 -1.7206 PRESSURE: 4878600 -8.29167 -42.8892 -50.472 -42.89 -238.937 46.8898 -50.4725 46.8898 -34.3848 GPRESSURE: 4878600 -75.0379 -3.41364 -104.961 -72.9468 -131.713 60.6397 27.897 -8.64204 23.3851 PRESSAVG: 4878600 -23.3538 -51.0176 -69.9953 -51.0175 8.80744 40.0415 -69.9954 40.0415 10.7617 GPRESSAVG: 4878600 -24.2315 -50.4013 -70.9413 -51.9506 8.57663 41.5431 -67.7579 38.377 11.8741 TIMING: 4878600 CPU: 15468.1, 0.0031275/step Wall: 15468.1, 0.0031275/step, 0.105466 hours remaining, 240.597656 MB of memory in use. ENERGY: 4878600 4044.4320 20467.5598 14418.3179 247.0815 -203108.4883 2375.1908 0.0000 0.0000 52128.0965 -109427.8098 299.5809 -161555.9063 -109062.8480 299.5575 -93.8710 -61.1218 759709.6569 -1.2616 -1.2603 PRESSURE: 4878800 51.503 193.3 -239.327 193.3 -205.416 127.392 -239.328 127.393 -231.972 GPRESSURE: 4878800 157.73 135.136 -194.119 103.835 -149.869 213.852 -263.702 -49.1674 -288.733 PRESSAVG: 4878800 13.4133 -41.3489 -8.25657 -41.3489 -72.3758 8.75392 -8.25656 8.75389 5.75188 GPRESSAVG: 4878800 14.373 -42.085 -8.29594 -39.8494 -72.3077 8.89565 -6.6285 9.93427 4.8305 TIMING: 4878800 CPU: 15468.8, 0.00313237/step Wall: 15468.8, 0.00313237/step, 0.105456 hours remaining, 240.597656 MB of memory in use. ENERGY: 4878800 3992.0138 20492.4900 14442.5003 225.9925 -203223.2807 2443.0559 0.0000 0.0000 52066.5114 -109560.7170 299.2270 -161627.2284 -109194.2753 299.2076 -128.6281 -93.6240 760077.0549 -17.7369 -17.7014 PRESSURE: 4879000 -277.52 116.089 9.42369 116.09 121.372 -12.7702 9.42417 -12.77 330.892 GPRESSURE: 4879000 -188.236 177.045 9.34397 132.103 88.9531 -12.5486 160.52 88.2923 344.343 PRESSAVG: 4879000 80.1889 -43.4368 -23.4018 -43.4368 -82.1999 -58.4998 -23.4019 -58.4998 -23.7032 GPRESSAVG: 4879000 79.2999 -43.4938 -21.6188 -43.9515 -81.5178 -58.1326 -25.6189 -58.621 -24.1146 TIMING: 4879000 CPU: 15469.4, 0.0031403/step Wall: 15469.4, 0.0031403/step, 0.105549 hours remaining, 240.597656 MB of memory in use. ENERGY: 4879000 3945.2794 20308.9697 14400.1939 242.7162 -202649.7462 2152.1193 0.0000 0.0000 52113.2341 -109487.2337 299.4955 -161600.4677 -109113.1673 299.1858 58.2477 81.6867 760738.2086 -8.5714 -8.7775 PRESSURE: 4879200 223.928 66.9166 13.5095 66.9166 300.813 -6.2175 13.5089 -6.21821 -225.97 GPRESSURE: 4879200 294.204 173.137 72.5476 118.639 375.838 -74.377 -3.34759 -98.3155 -284.596 PRESSAVG: 4879200 -30.2158 -4.67085 -79.3453 -4.67087 -7.46412 -32.1781 -79.3453 -32.1781 2.52425 GPRESSAVG: 4879200 -29.4847 -4.08682 -78.2263 -3.68081 -7.68577 -33.8081 -78.2606 -31.985 2.3455 TIMING: 4879200 CPU: 15470, 0.0031539/step Wall: 15470, 0.0031539/step, 0.105831 hours remaining, 240.597656 MB of memory in use. ENERGY: 4879200 4011.6423 20361.3773 14407.0247 220.4176 -203245.8473 2625.5997 0.0000 0.0000 51885.6883 -109734.0974 298.1878 -161619.7856 -109368.5454 299.1572 99.5902 128.4822 760864.4728 -11.7186 -11.6083 PRESSURE: 4879400 -262.795 -178.005 -91.5227 -178.005 -37.5282 -195.965 -91.5215 -195.965 31.31 GPRESSURE: 4879400 -208.013 -247.258 -13.3905 -171.616 -21.2552 -260.827 -114.378 -51.2871 51.3675 PRESSAVG: 4879400 27.7322 8.79159 -38.0317 8.79156 -6.053 6.06087 -38.0317 6.06083 2.64291 GPRESSAVG: 4879400 28.4498 7.37126 -41.7043 8.8839 -7.00103 6.05623 -40.1633 6.21121 3.33725 TIMING: 4879400 CPU: 15470.6, 0.00313767/step Wall: 15470.6, 0.00313767/step, 0.105112 hours remaining, 240.597656 MB of memory in use. ENERGY: 4879400 3921.2109 20435.7661 14349.5030 241.2776 -203451.7138 2551.0272 0.0000 0.0000 52224.0863 -109728.8428 300.1325 -161952.9290 -109370.1456 298.5512 -89.6709 -59.3003 762256.9086 8.1074 8.2620 PRESSURE: 4879600 209.927 8.52484 10.4848 8.52548 33.7064 -61.9612 10.4846 -61.9616 100.755 GPRESSURE: 4879600 333.456 -47.29 -16.0996 -23.2941 80.5325 -26.3776 -11.6165 -80.8829 7.37351 PRESSAVG: 4879600 23.277 -57.8981 7.35305 -57.8981 -49.3975 -8.42004 7.35311 -8.42002 8.3182 GPRESSAVG: 4879600 23.4957 -56.5196 8.35782 -59.7556 -49.035 -9.55879 10.0787 -7.79668 8.01671 TIMING: 4879600 CPU: 15471.3, 0.00315176/step Wall: 15471.3, 0.00315176/step, 0.105409 hours remaining, 240.597656 MB of memory in use. ENERGY: 4879600 3995.8030 20308.7419 14437.2976 243.2452 -203283.2374 2474.9321 0.0000 0.0000 52041.9981 -109781.2195 299.0861 -161823.2176 -109424.5763 298.5239 114.7960 140.4539 760013.1476 -5.9341 -5.8409 PRESSURE: 4879800 25.0878 -175.466 21.5959 -175.465 -386.886 -147.971 21.5962 -147.971 132.043 GPRESSURE: 4879800 42.2624 -102.019 -22.8487 -180.254 -339.932 -265.243 102.568 -93.5397 173.084 PRESSAVG: 4879800 37.5445 -54.4777 31.2156 -54.4777 -58.9405 -54.6002 31.2155 -54.6003 -23.2328 GPRESSAVG: 4879800 36.9358 -53.0184 31.1702 -53.1794 -58.4772 -53.5804 28.296 -56.3366 -22.9385 TIMING: 4879800 CPU: 15471.9, 0.00316877/step Wall: 15471.9, 0.00316877/step, 0.105802 hours remaining, 240.597656 MB of memory in use. ENERGY: 4879800 3968.0077 20352.7684 14368.3315 229.9078 -203019.2675 2406.3415 0.0000 0.0000 51942.4723 -109751.4383 298.5141 -161693.9106 -109384.0299 298.4361 -76.5849 -41.5285 761079.8127 -14.8763 -14.8266 PRESSURE: 4880000 -389.035 -146.792 -77.1075 -146.791 -182.855 343.985 -77.1067 343.986 -476.703 GPRESSURE: 4880000 -321.925 -238.809 -50.5588 -162.588 -262.955 308.56 7.93962 262.786 -358.077 PRESSAVG: 4880000 18.1823 -105.124 -57.4004 -105.124 -16.0724 12.2492 -57.4004 12.2492 9.35034 GPRESSAVG: 4880000 18.5767 -106.282 -57.1391 -104.729 -16.5144 12.9998 -56.293 12.6243 9.79029 TIMING: 4880000 CPU: 15472.5, 0.00315137/step Wall: 15472.5, 0.00315137/step, 0.105046 hours remaining, 240.597656 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: 4880000 4044.4677 20221.5769 14406.0356 239.1407 -203245.6952 2448.2753 0.0000 0.0000 51979.2102 -109906.9887 298.7252 -161886.1990 -109546.1866 298.5024 -349.5309 -314.3192 762288.2444 3.8201 3.9509 PRESSURE: 4880200 -115.358 -22.1887 37.56 -22.1886 -192.39 91.208 37.5602 91.2092 186.094 GPRESSURE: 4880200 -84.255 6.7179 13.2512 -43.1202 -57.7386 88.0407 -11.5554 100.104 125.743 PRESSAVG: 4880200 -23.8325 -10.157 -63.6053 -10.157 27.1948 60.7078 -63.6053 60.7078 -2.9763 GPRESSAVG: 4880200 -24.7914 -10.778 -63.7894 -10.8996 28.9684 59.9144 -64.89 61.109 -4.13014 TIMING: 4880200 CPU: 15473.2, 0.00316725/step Wall: 15473.2, 0.00316725/step, 0.105399 hours remaining, 240.597656 MB of memory in use. ENERGY: 4880200 3977.3135 20333.4509 14441.4885 253.4159 -203061.6606 2283.6083 0.0000 0.0000 52140.5892 -109631.7944 299.6527 -161772.3836 -109279.6580 298.5991 -40.5516 -5.4168 761711.3976 0.1287 0.0156 LDB: ============= START OF LOAD BALANCING ============== 15485.6 LDB: ============== END OF LOAD BALANCING =============== 15485.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15485.6 LDB: ============= START OF LOAD BALANCING ============== 15485.9 LDB: Largest compute 7075 load 0.034281 is 17.5% of average load 0.195441 LDB: Average compute 0.004368 is 2.2% of average load 0.195441 LDB: TIME 15485.9 LOAD: AVG 0.195441 MAX 0.220343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.824 MB LDB: TIME 15485.9 LOAD: AVG 0.195441 MAX 0.220343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: TIME 15485.9 LOAD: AVG 0.195441 MAX 0.217734 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.027 MB LDB: ============== END OF LOAD BALANCING =============== 15485.9 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 PRESSURE: 4880400 -5.31448 191.296 -129.978 191.295 -177.054 105.307 -129.978 105.307 23.4633 GPRESSURE: 4880400 -11.6704 15.5163 -123.759 282.252 -82.3796 28.5889 -175.275 138.048 15.386 PRESSAVG: 4880400 -6.99101 -70.8697 15.7821 -70.8697 35.8653 12.1851 15.7821 12.1851 24.4187 GPRESSAVG: 4880400 -6.2035 -69.5273 15.871 -70.3747 34.2871 12.2393 17.3046 12.9922 25.3217 TIMING: 4880400 CPU: 15473.8, 0.00322324/step Wall: 15473.8, 0.00322324/step, 0.107083 hours remaining, 240.296875 MB of memory in use. ENERGY: 4880400 4004.6453 20464.7028 14468.6758 249.9440 -203034.8154 2151.1299 0.0000 0.0000 52036.4491 -109659.2686 299.0542 -161695.7176 -109294.5025 299.1115 -52.9682 -26.2214 761255.1759 17.7643 17.8018 PRESSURE: 4880600 -140.8 -1.53268 56.0653 -1.53269 -49.1959 -106.797 56.0659 -106.797 98.4227 GPRESSURE: 4880600 -166.458 16.4112 59.753 45.2627 135.521 -38.2074 90.5352 -1.03537 19.8453 PRESSAVG: 4880600 5.8587 -59.8148 -23.877 -59.8148 -37.5528 -19.9683 -23.877 -19.9683 12.912 GPRESSAVG: 4880600 6.33723 -61.3671 -25.4701 -58.3088 -37.2469 -19.1983 -22.1446 -20.9804 11.628 TIMING: 4880600 CPU: 15474.4, 0.00315876/step Wall: 15474.4, 0.00315876/step, 0.104766 hours remaining, 240.296875 MB of memory in use. ENERGY: 4880600 3951.5982 20568.8621 14460.7899 234.8419 -203371.1847 2545.0672 0.0000 0.0000 52129.0593 -109480.9661 299.5864 -161610.0254 -109118.0319 299.3726 -30.5244 -3.6973 763028.2503 -6.2607 -6.4272 PRESSURE: 4880800 -125.344 -90.3708 158.698 -90.3712 353.873 -70.8828 158.699 -70.8839 -138.772 GPRESSURE: 4880800 -75.2132 51.6399 61.269 -150.804 277.987 -127.531 133.945 -76.1818 -39.4092 PRESSAVG: 4880800 -22.6088 -13.957 21.2785 -13.957 -18.0903 2.45774 21.2785 2.45774 0.929119 GPRESSAVG: 4880800 -23.1635 -13.4288 21.6602 -16.1978 -18.6303 2.46848 17.7535 0.27992 1.45105 TIMING: 4880800 CPU: 15475.1, 0.00314585/step Wall: 15475.1, 0.00314585/step, 0.104163 hours remaining, 240.296875 MB of memory in use. ENERGY: 4880800 4021.6066 20449.0341 14371.5866 232.5117 -203238.5316 2486.4363 0.0000 0.0000 52174.4142 -109502.9422 299.8471 -161677.3563 -109139.7993 299.4982 29.9189 54.4550 762408.2053 -13.2567 -13.4476 PRESSURE: 4881000 64.7921 -26.8117 37.4109 -26.8113 -18.1846 13.1055 37.4114 13.1067 368.402 GPRESSURE: 4881000 129.651 -36.6329 109.932 -86.4249 5.89946 137.473 103.72 96.0633 378.446 PRESSAVG: 4881000 23.3151 -55.4293 18.9054 -55.4293 -13.909 -1.2569 18.9054 -1.2569 22.8151 GPRESSAVG: 4881000 21.8616 -57.5142 18.3479 -54.3793 -11.1662 -2.73386 22.7124 1.11377 22.0624 TIMING: 4881000 CPU: 15475.7, 0.00315099/step Wall: 15475.7, 0.00315099/step, 0.104158 hours remaining, 240.296875 MB of memory in use. ENERGY: 4881000 3920.9222 20369.0462 14327.6268 239.9739 -203119.8435 2478.0295 0.0000 0.0000 52452.2442 -109332.0009 301.4438 -161784.2450 -108974.7355 299.2018 138.3366 171.3324 761608.1137 10.7404 10.9193 PRESSURE: 4881200 127.647 122.804 -49.7391 122.803 157.595 5.41354 -49.7394 5.41359 190.803 GPRESSURE: 4881200 177.986 181.589 -59.9852 120.635 193.52 6.16131 2.77183 77.7661 230.715 PRESSAVG: 4881200 -25.346 -22.6396 11.7086 -22.6396 33.2793 69.4107 11.7086 69.4107 19.2248 GPRESSAVG: 4881200 -24.2774 -19.7996 11.4405 -23.4292 31.1734 70.5271 8.33414 69.1492 20.5301 TIMING: 4881200 CPU: 15476.3, 0.00315545/step Wall: 15476.3, 0.00315545/step, 0.10413 hours remaining, 240.296875 MB of memory in use. ENERGY: 4881200 3973.0121 20460.4360 14412.4449 261.4097 -203494.6175 2778.1753 0.0000 0.0000 52429.2980 -109179.8414 301.3119 -161609.1394 -108810.0470 300.0190 158.6814 200.7405 760544.1866 9.0527 9.1421 PRESSURE: 4881400 66.0807 -50.3684 370.571 -50.3693 -465.564 -130.605 370.571 -130.605 58.436 GPRESSURE: 4881400 132.524 -145.911 354.469 -53.6175 -413.852 -74.7448 200.824 -150.186 35.369 PRESSAVG: 4881400 5.68399 -28.4519 72.8073 -28.4519 13.9199 43.243 72.8074 43.243 -1.96123 GPRESSAVG: 4881400 5.90302 -28.331 73.0077 -29.2969 14.9706 44.6633 74.3597 43.5713 -3.06687 TIMING: 4881400 CPU: 15477, 0.0031521/step Wall: 15477, 0.0031521/step, 0.103844 hours remaining, 240.296875 MB of memory in use. ENERGY: 4881400 3987.6258 20532.0907 14474.9380 240.4651 -202865.5046 2257.4998 0.0000 0.0000 52394.8099 -108978.0752 301.1137 -161372.8851 -108607.3770 300.7871 -113.6823 -81.9864 760877.3375 5.8809 5.9356 PRESSURE: 4881600 117.706 205.91 41.7374 205.91 19.8496 26.2829 41.7369 26.2827 121.252 GPRESSURE: 4881600 189.976 197.041 67.8783 35.7362 6.93354 17.9686 75.311 -39.5109 151.196 PRESSAVG: 4881600 14.7484 -54.9977 33.9491 -54.9977 3.23763 7.00812 33.9491 7.0082 6.91797 GPRESSAVG: 4881600 14.1667 -55.2403 33.8903 -54.2544 2.79944 6.5683 32.7891 6.56621 8.12623 TIMING: 4881600 CPU: 15477.6, 0.00314137/step Wall: 15477.6, 0.00314137/step, 0.103316 hours remaining, 240.296875 MB of memory in use. ENERGY: 4881600 4054.2601 20545.9741 14421.9312 270.6187 -203138.7039 2596.0027 0.0000 0.0000 51868.0444 -109381.8728 298.0864 -161249.9171 -109029.6302 299.9555 86.2693 116.0351 759963.0098 8.3013 8.3641 PRESSURE: 4881800 118.719 79.8666 22.638 79.8665 62.5398 74.787 22.6375 74.7868 109.702 GPRESSURE: 4881800 116.542 24.3701 23.5682 42.3791 97.2103 48.56 -80.2358 180.411 158.382 PRESSAVG: 4881800 -2.15002 3.13366 67.7718 3.13371 3.01779 -4.93666 67.7718 -4.93666 -35.5786 GPRESSAVG: 4881800 -1.7084 3.99025 69.055 0.970486 2.62092 -6.53934 67.8967 -5.02958 -36.2149 TIMING: 4881800 CPU: 15478.2, 0.00312094/step Wall: 15478.2, 0.00312094/step, 0.102471 hours remaining, 240.296875 MB of memory in use. ENERGY: 4881800 3958.2256 20621.2018 14438.9653 240.8892 -203383.2417 2636.5944 0.0000 0.0000 52096.3773 -109390.9882 299.3986 -161487.3655 -109033.8865 299.7301 96.9867 124.0446 761546.0640 -11.5703 -11.7675 PRESSURE: 4882000 79.3988 -186.136 -117.557 -186.137 330.633 54.6734 -117.557 54.6748 36.7037 GPRESSURE: 4882000 36.5035 -196.063 -202.945 -107.636 339.477 -9.65985 36.0464 252.448 132.064 PRESSAVG: 4882000 -21.2613 1.84862 3.70652 1.8486 -60.5831 27.1009 3.70651 27.1009 12.0315 GPRESSAVG: 4882000 -22.0738 -0.0967213 3.78367 3.52015 -59.023 29.0703 6.07617 25.2686 11.2209 TIMING: 4882000 CPU: 15478.8, 0.00313934/step Wall: 15478.8, 0.00313934/step, 0.102901 hours remaining, 240.296875 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: 4882000 3959.6555 20535.7056 14486.0763 236.4821 -203041.4031 2329.1150 0.0000 0.0000 52087.2272 -109407.1415 299.3460 -161494.3687 -109045.5142 299.4912 148.9119 169.3484 762313.7832 -23.2710 -23.2920 PRESSURE: 4882200 -164.696 -348.439 56.3621 -348.439 4.98558 -116.252 56.3626 -116.252 -221.941 GPRESSURE: 4882200 -150.72 -331.008 123.724 -244.315 28.4861 -108.366 25.6648 -99.0082 -182.284 PRESSAVG: 4882200 16.8486 -34.4062 10.4124 -34.4062 8.99227 -16.4335 10.4124 -16.4334 -4.75835 GPRESSAVG: 4882200 17.3067 -33.4066 9.88914 -34.1665 7.82887 -16.6768 7.443 -13.5344 -4.62953 TIMING: 4882200 CPU: 15479.5, 0.00313009/step Wall: 15479.5, 0.00313009/step, 0.102424 hours remaining, 240.296875 MB of memory in use. ENERGY: 4882200 3991.6990 20541.6198 14427.9368 243.2110 -203152.3542 2466.8113 0.0000 0.0000 52224.4492 -109256.6272 300.1346 -161481.0764 -108897.1499 300.0915 -127.2170 -101.5060 760871.3243 7.0275 6.8354 PRESSURE: 4882400 206.316 14.2013 214.247 14.2011 214.889 32.9218 214.247 32.9229 -156.306 GPRESSURE: 4882400 254.128 -50.974 249.77 62.7841 189.324 -18.4873 238.533 -1.83792 -85.0531 PRESSAVG: 4882400 -37.7616 -27.8173 55.8197 -27.8173 -16.8644 25.5642 55.8197 25.5641 9.59404 GPRESSAVG: 4882400 -37.9783 -29.0363 55.8968 -28.596 -16.2273 24.6452 57.4244 24.6078 9.21746 TIMING: 4882400 CPU: 15480.1, 0.00312729/step Wall: 15480.1, 0.00312729/step, 0.102158 hours remaining, 240.296875 MB of memory in use. ENERGY: 4882400 3934.4093 20519.4036 14442.3086 248.6161 -203252.8808 2732.4873 0.0000 0.0000 52109.9227 -109265.7332 299.4764 -161375.6559 -108911.7794 299.8497 88.2994 119.4662 760040.1628 -15.0107 -14.9960 PRESSURE: 4882600 -195.403 9.27448 -30.2325 9.27413 210.746 -191.584 -30.2323 -191.585 -168.121 GPRESSURE: 4882600 8.19895 32.1496 -45.1689 87.5047 63.6266 -110.597 96.5493 -153.847 -135.939 PRESSAVG: 4882600 16.9594 34.715 46.4612 34.7149 1.9126 3.66074 46.4612 3.66072 -15.0539 GPRESSAVG: 4882600 17.8706 32.3452 45.4923 36.1844 0.38504 5.81292 47.4399 2.84012 -14.7832 TIMING: 4882600 CPU: 15480.7, 0.00311924/step Wall: 15480.7, 0.00311924/step, 0.101722 hours remaining, 240.296875 MB of memory in use. ENERGY: 4882600 3951.3063 20523.3020 14455.2469 258.9726 -202998.3588 2508.5806 0.0000 0.0000 52163.6451 -109137.3055 299.7852 -161300.9506 -108773.0229 300.4003 -50.9260 -21.3711 760760.3908 1.2727 1.1575 PRESSURE: 4882800 118.378 6.51285 -53.6662 6.51265 -24.379 352.384 -53.666 352.385 -9.19291 GPRESSURE: 4882800 229.996 -71.6499 26.2974 99.486 -19.9537 285.898 -279.137 345.066 -47.0574 PRESSAVG: 4882800 30.2562 -22.7118 -7.08368 -22.7118 11.1337 5.78238 -7.08364 5.78234 17.8577 GPRESSAVG: 4882800 29.7177 -21.4221 -5.14125 -21.5529 12.4572 4.90042 -9.87578 7.91178 17.1659 TIMING: 4882800 CPU: 15481.4, 0.00313378/step Wall: 15481.4, 0.00313378/step, 0.102022 hours remaining, 240.296875 MB of memory in use. ENERGY: 4882800 4019.6646 20378.6859 14444.7414 260.8110 -203166.6784 2593.6008 0.0000 0.0000 52161.2640 -109307.9106 299.7715 -161469.1746 -108943.1874 300.7311 28.2686 54.3283 762129.1428 19.7492 19.7803 PRESSURE: 4883000 -200.596 -141.591 94.7107 -141.591 222.279 161.998 94.7102 161.997 71.6224 GPRESSURE: 4883000 -244.723 0.363124 82.4247 -192.063 305.575 61.168 205.951 134.484 95.4334 PRESSAVG: 4883000 -34.9817 -7.73264 1.60564 -7.73267 69.9499 -10.0121 1.60563 -10.0121 18.6564 GPRESSAVG: 4883000 -35.6902 -6.51515 2.12444 -7.89673 69.1627 -11.0426 3.46075 -12.3296 19.9797 TIMING: 4883000 CPU: 15482, 0.00311534/step Wall: 15482, 0.00311534/step, 0.101248 hours remaining, 240.296875 MB of memory in use. ENERGY: 4883000 4033.6058 20528.1389 14561.0254 254.2950 -203494.5152 2619.3472 0.0000 0.0000 52072.4849 -109425.6179 299.2613 -161498.1028 -109058.1787 299.6899 31.1016 52.0953 761256.5153 17.8748 17.8174 PRESSURE: 4883200 -127.661 -51.8434 21.2216 -51.8435 167.882 -183.006 21.2219 -183.007 -12.1664 GPRESSURE: 4883200 -32.806 82.5001 11.3083 63.6966 144.635 -140.089 -66.0618 -127.638 8.07562 PRESSAVG: 4883200 -16.8383 54.8405 -11.8866 54.8405 33.3968 -55.5036 -11.8867 -55.5037 2.83193 GPRESSAVG: 4883200 -16.6958 55.5731 -14.1531 54.9975 33.7075 -52.2474 -9.83862 -54.7302 2.52682 TIMING: 4883200 CPU: 15482.6, 0.00311012/step Wall: 15482.6, 0.00311012/step, 0.100906 hours remaining, 240.296875 MB of memory in use. ENERGY: 4883200 4070.6284 20417.1441 14402.7311 262.1950 -203344.8820 2505.7320 0.0000 0.0000 52207.8832 -109478.5683 300.0394 -161686.4514 -109107.3268 299.4062 9.3514 39.9682 760057.6045 6.4635 6.5128 PRESSURE: 4883400 -83.5443 -136.92 155.573 -136.92 296.628 5.00576 155.573 5.00576 -158.364 GPRESSURE: 4883400 66.506 -82.9146 136.538 -59.3782 222.807 -1.67508 147.359 72.3596 -149.197 PRESSAVG: 4883400 8.93032 9.05908 74.2024 9.0591 -14.8881 -21.2446 74.2024 -21.2446 6.65615 GPRESSAVG: 4883400 8.84318 9.78804 75.8181 6.842 -15.675 -21.8927 70.8691 -22.4905 7.2861 TIMING: 4883400 CPU: 15483.2, 0.00309854/step Wall: 15483.2, 0.00309854/step, 0.100358 hours remaining, 240.296875 MB of memory in use. ENERGY: 4883400 4001.1424 20491.6212 14395.7059 241.7790 -203551.3780 2637.6173 0.0000 0.0000 52198.9871 -109584.5253 299.9883 -161783.5124 -109227.6720 299.6566 18.2398 46.7053 758937.8957 0.2328 0.1514 PRESSURE: 4883600 -365.155 -29.824 -64.185 -29.8249 374.93 -187.057 -64.1846 -187.056 -190.579 GPRESSURE: 4883600 -194.892 7.03849 12.8067 -92.3556 272.367 -280.647 -6.83883 -114.564 -164.156 PRESSAVG: 4883600 11.1373 -20.7144 -7.32986 -20.7144 6.34416 34.1751 -7.32981 34.175 -15.0142 GPRESSAVG: 4883600 11.9002 -22.4033 -6.92745 -19.6009 7.2942 32.2821 -6.52663 36.9691 -16.9453 TIMING: 4883600 CPU: 15483.8, 0.00310594/step Wall: 15483.8, 0.00310594/step, 0.100425 hours remaining, 240.296875 MB of memory in use. ENERGY: 4883600 4056.2312 20463.4140 14436.3465 247.3401 -203413.1420 2479.4854 0.0000 0.0000 52200.6645 -109529.6603 299.9979 -161730.3248 -109176.1857 299.7159 -60.2680 -28.8934 759438.1583 0.8224 0.7497 PRESSURE: 4883800 37.0877 -76.732 175.441 -76.732 -81.5632 167.313 175.441 167.314 242.582 GPRESSURE: 4883800 31.9772 -172.359 138.482 -124.526 6.04931 122.724 163.046 51.8036 259.919 PRESSAVG: 4883800 59.722 17.6876 53.2291 17.6875 -0.887452 -43.0996 53.2291 -43.0997 13.0669 GPRESSAVG: 4883800 58.8515 17.2847 53.5419 17.4514 -0.54926 -41.8263 53.4297 -47.0549 13.8315 TIMING: 4883800 CPU: 15484.5, 0.00310204/step Wall: 15484.5, 0.00310203/step, 0.100127 hours remaining, 240.296875 MB of memory in use. ENERGY: 4883800 3969.1999 20474.9608 14409.7815 261.1154 -203386.7756 2469.8930 0.0000 0.0000 52403.9120 -109397.9129 301.1660 -161801.8249 -109038.6281 299.5804 66.0353 99.3150 758769.5050 23.9672 24.0446 PRESSURE: 4884000 155.89 38.7178 169.321 38.7178 215.365 -212.238 169.32 -212.241 206.421 GPRESSURE: 4884000 176.82 -74.0474 98.1283 130.66 201.4 -175.377 133.178 -81.1625 278.524 PRESSAVG: 4884000 0.779523 -18.5933 44.5771 -18.5933 -8.85676 6.04629 44.5771 6.04621 -3.28298 GPRESSAVG: 4884000 2.23625 -18.6482 44.099 -17.9075 -10.5528 5.39838 42.8274 8.3182 -3.8726 TIMING: 4884000 CPU: 15485.1, 0.00310661/step Wall: 15485.1, 0.00310661/step, 0.100102 hours remaining, 240.296875 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: 4884000 3906.1362 20555.9296 14443.5096 252.5471 -203304.2166 2469.7339 0.0000 0.0000 52208.9156 -109467.4447 300.0454 -161676.3602 -109105.7807 300.1922 192.5587 218.9146 759792.6261 -3.7867 -4.0631 PRESSURE: 4884200 63.965 -165.447 150.456 -165.447 -208.105 98.3018 150.456 98.3016 147.472 GPRESSURE: 4884200 67.7822 -195.376 189.295 -219.412 -155.559 133.714 124.993 139.074 164.638 PRESSAVG: 4884200 49.9744 -28.5757 48.1937 -28.5757 -45.7207 41.1989 48.1936 41.1989 23.3667 GPRESSAVG: 4884200 47.7611 -26.6387 48.2376 -28.3006 -44.1495 41.3245 50.9591 40.9605 24.3681 TIMING: 4884200 CPU: 15485.7, 0.0031178/step Wall: 15485.7, 0.0031178/step, 0.100289 hours remaining, 240.296875 MB of memory in use. ENERGY: 4884200 4018.8653 20560.7646 14394.6718 246.4728 -203705.4398 2562.3641 0.0000 0.0000 52193.2860 -109729.0152 299.9555 -161922.3012 -109359.4462 299.2646 1.1106 25.6205 759699.2772 9.2068 9.3266 LDB: ============= START OF LOAD BALANCING ============== 15498.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15498.1 LDB: =============== DONE WITH MIGRATION ================ 15498.1 LDB: ============= START OF LOAD BALANCING ============== 15498.5 LDB: Largest compute 7035 load 0.030897 is 15.8% of average load 0.195533 LDB: Average compute 0.004381 is 2.2% of average load 0.195533 LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.218045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.586 MB LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.218045 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.68 MB LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.218045 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.68 MB LDB: ============== END OF LOAD BALANCING =============== 15498.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15498.5 PRESSURE: 4884400 -45.8447 192.888 -177.638 192.888 30.3102 46.6148 -177.638 46.6153 -196.916 GPRESSURE: 4884400 -23.4821 253.09 -142.496 154.598 74.5595 64.841 -164.58 -97.1954 -197.616 PRESSAVG: 4884400 35.4262 -11.6954 36.8372 -11.6955 -57.0135 23.9605 36.8372 23.9604 4.82487 GPRESSAVG: 4884400 36.9348 -13.9118 37.0581 -13.5313 -56.6611 23.7974 36.9436 23.2057 3.16757 TIMING: 4884400 CPU: 15486.3, 0.00318183/step Wall: 15486.3, 0.00318183/step, 0.102172 hours remaining, 243.125000 MB of memory in use. ENERGY: 4884400 4018.7736 20486.1802 14489.5704 228.6397 -203493.1368 2420.8414 0.0000 0.0000 51890.0264 -109959.1050 298.2127 -161849.1314 -109593.7866 299.2305 -70.8167 -48.8462 759022.8058 -5.5875 -5.5196 PRESSURE: 4884600 -58.7735 -90.9536 111.708 -90.9535 -191.572 30.8991 111.708 30.8989 84.9525 GPRESSURE: 4884600 -15.7124 -62.8253 58.0515 -108.565 -159.878 16.151 76.0098 -18.9526 78.945 PRESSAVG: 4884600 34.5631 11.0201 3.34901 11.0202 -31.3694 31.5389 3.349 31.5389 19.8339 GPRESSAVG: 4884600 33.6619 12.9877 2.82782 12.6324 -31.6027 29.9413 1.93106 31.3666 20.6762 TIMING: 4884600 CPU: 15487, 0.00313266/step Wall: 15487, 0.00313266/step, 0.100419 hours remaining, 243.136719 MB of memory in use. ENERGY: 4884600 3987.1714 20628.8539 14429.5168 237.1728 -203844.8031 2504.8475 0.0000 0.0000 52046.7146 -110010.5260 299.1132 -162057.2406 -109647.4649 299.1663 -55.1309 -32.2150 760690.4587 7.6759 7.5785 PRESSURE: 4884800 -50.4514 -52.8248 -79.4179 -52.8251 119.759 150.307 -79.4174 150.307 85.7029 GPRESSURE: 4884800 22.1305 -0.669807 -22.5409 -59.9011 86.0068 232.389 -97.4496 177.165 137.049 PRESSAVG: 4884800 -45.4932 -30.849 -13.7406 -30.8489 36.6182 53.675 -13.7406 53.675 19.903 GPRESSAVG: 4884800 -44.6828 -30.725 -13.4107 -32.3589 36.1825 55.0261 -12.1531 54.4267 19.486 TIMING: 4884800 CPU: 15487.6, 0.00311134/step Wall: 15487.6, 0.00311134/step, 0.0995629 hours remaining, 243.136719 MB of memory in use. ENERGY: 4884800 3921.8244 20400.5548 14445.0652 258.0812 -203608.2010 2362.9947 0.0000 0.0000 52054.1119 -110165.5688 299.1557 -162219.6807 -109795.8187 298.4620 51.6703 81.7287 758792.7711 3.6760 3.6619 PRESSURE: 4885000 -413.258 -152.405 171.817 -152.405 -293.653 -193.428 171.817 -193.429 -248.73 GPRESSURE: 4885000 -362.188 -227.773 65.9197 -226.268 -248.38 -152.856 112.524 -226.331 -250.204 PRESSAVG: 4885000 -45.0641 -40.7439 1.01837 -40.7438 54.0213 75.01 1.01838 75.0099 -19.9984 GPRESSAVG: 4885000 -44.2352 -39.3637 0.728895 -39.8501 53.404 76.127 -0.00826705 72.4532 -20.1569 TIMING: 4885000 CPU: 15488.2, 0.00312003/step Wall: 15488.2, 0.00312003/step, 0.0996678 hours remaining, 243.136719 MB of memory in use. ENERGY: 4885000 4032.5662 20452.6051 14432.2523 228.6463 -203375.5701 2329.5360 0.0000 0.0000 51913.6518 -109986.3124 298.3485 -161899.9642 -109628.8195 298.5870 -318.5468 -286.9239 760009.2873 -3.6804 -3.6627 PRESSURE: 4885200 -297.645 -223.346 25.7948 -223.347 -68.706 -46.1139 25.7954 -46.1141 -302.797 GPRESSURE: 4885200 -193.186 -235.326 4.67848 -105.75 -123.155 -13.0278 144.587 -85.9577 -268.572 PRESSAVG: 4885200 31.9352 -28.9602 10.6017 -28.9602 -39.3787 28.3116 10.6017 28.3115 -1.15243 GPRESSAVG: 4885200 31.3709 -29.5791 11.5852 -32.1917 -38.6953 24.5357 11.1546 31.3082 -1.87157 TIMING: 4885200 CPU: 15488.8, 0.00313773/step Wall: 15488.8, 0.00313773/step, 0.100059 hours remaining, 243.136719 MB of memory in use. ENERGY: 4885200 3969.4867 20517.6486 14419.7642 252.2037 -203851.0576 2606.9441 0.0000 0.0000 51934.7447 -110150.2656 298.4697 -162085.0103 -109783.0280 298.0697 -223.0492 -194.9710 758556.4383 -2.8653 -3.0653 PRESSURE: 4885400 -169.476 -99.8261 -71.0748 -99.8257 -368.416 -183.938 -71.075 -183.938 -191.215 GPRESSURE: 4885400 -147.53 -177.762 -105.446 -41.0017 -339.121 -129.014 2.66412 -234.687 -163.459 PRESSAVG: 4885400 -51.7146 -67.7136 -25.9438 -67.7136 29.2877 -14.4864 -25.9438 -14.4864 23.4101 GPRESSAVG: 4885400 -52.4001 -71.2372 -26.9479 -66.0673 29.3604 -12.2715 -25.534 -15.8569 24.9849 TIMING: 4885400 CPU: 15489.5, 0.00312072/step Wall: 15489.5, 0.00312072/step, 0.099343 hours remaining, 243.136719 MB of memory in use. ENERGY: 4885400 4011.6654 20521.0058 14395.7638 243.5417 -203463.1826 2413.9417 0.0000 0.0000 51864.3570 -110012.9071 298.0652 -161877.2641 -109644.8812 298.4599 -243.0355 -216.7033 759546.3899 0.3277 0.6484 PRESSURE: 4885600 -376.29 -64.0296 165.468 -64.0302 -473.729 53.6986 165.469 53.6993 -112.725 GPRESSURE: 4885600 -316.177 -34.1754 245.098 2.28254 -455.832 130.284 11.3947 2.49721 -102.886 PRESSAVG: 4885600 -7.76964 -36.8132 7.57014 -36.8132 16.8977 24.5998 7.57014 24.5998 1.23763 GPRESSAVG: 4885600 -7.56493 -34.6188 7.94609 -35.3034 15.9108 24.0211 6.26265 25.8173 1.60022 TIMING: 4885600 CPU: 15490.1, 0.00312246/step Wall: 15490.1, 0.00312246/step, 0.0992248 hours remaining, 243.136719 MB of memory in use. ENERGY: 4885600 4044.2752 20489.9232 14433.6302 266.7583 -203877.8108 2719.8643 0.0000 0.0000 52125.1242 -109798.2354 299.5638 -161923.3596 -109441.2129 298.8441 -320.9147 -291.6317 761344.6049 3.4552 3.3153 PRESSURE: 4885800 235.235 -119.169 65.4937 -119.169 -270.657 41.4462 65.4938 41.4459 -169.622 GPRESSURE: 4885800 209.561 -151.19 106.883 -159.851 -168.911 96.0716 71.2918 4.49372 -143.904 PRESSAVG: 4885800 6.39286 -35.0464 13.9084 -35.0464 14.376 -9.58746 13.9085 -9.58746 4.39294 GPRESSAVG: 4885800 6.59558 -33.444 15.032 -36.483 15.5244 -8.16601 13.2263 -9.8445 2.8456 TIMING: 4885800 CPU: 15490.7, 0.00312581/step Wall: 15490.7, 0.00312581/step, 0.0991575 hours remaining, 243.136719 MB of memory in use. ENERGY: 4885800 4030.4893 20518.7731 14349.8962 229.2583 -203560.9554 2817.4856 0.0000 0.0000 51999.3950 -109615.6579 298.8412 -161615.0529 -109255.1016 299.0141 -68.3481 -34.4180 761272.6769 8.3873 8.3219 PRESSURE: 4886000 -134.494 -32.7287 -59.422 -32.7287 -45.8642 229.704 -59.423 229.703 -4.85123 GPRESSURE: 4886000 -0.671486 40.828 -36.1265 -52.1188 -109.052 233.096 -8.04466 372.79 22.1292 PRESSAVG: 4886000 -61.4376 -2.25815 -34.963 -2.25815 -6.94944 3.84951 -34.963 3.84948 21.8424 GPRESSAVG: 4886000 -60.3752 -4.27739 -34.8137 -2.11823 -7.94588 3.21654 -34.0991 2.51799 22.0848 TIMING: 4886000 CPU: 15491.3, 0.00312311/step Wall: 15491.3, 0.00312311/step, 0.0988985 hours remaining, 243.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 4043.2915 20532.9603 14365.1241 264.0832 -203337.0895 2309.9141 0.0000 0.0000 52098.8432 -109722.8731 299.4128 -161821.7163 -109372.6198 299.0338 -61.7366 -29.1980 760532.0417 -15.5149 -15.4121 PRESSURE: 4886200 25.5985 106.646 -31.31 106.644 -327.718 -42.7319 -31.3102 -42.731 -71.26 GPRESSURE: 4886200 -16.4213 114.086 13.1284 50.2304 -261.974 -99.7805 -116.105 -3.55432 -10.2323 PRESSAVG: 4886200 -7.71996 45.4049 -15.817 45.4048 21.0081 13.4255 -15.817 13.4254 30.379 GPRESSAVG: 4886200 -8.70216 46.0536 -15.9351 44.3336 22.6105 15.0587 -15.5334 10.4516 30.2403 TIMING: 4886200 CPU: 15492, 0.00313661/step Wall: 15492, 0.00313661/step, 0.0991517 hours remaining, 243.136719 MB of memory in use. ENERGY: 4886200 3979.1481 20565.6527 14371.9213 229.4169 -203446.1733 2535.2564 0.0000 0.0000 52075.4692 -109689.3088 299.2784 -161764.7780 -109336.2164 299.3195 -124.4597 -96.2093 761238.7778 14.5557 14.7162 PRESSURE: 4886400 -248.308 143.887 -48.6078 143.888 204.391 211.026 -48.6072 211.026 -245.014 GPRESSURE: 4886400 -171.462 85.1658 -57.0801 177.301 128.889 222.473 76.3872 43.3808 -167.954 PRESSAVG: 4886400 -32.9301 -48.8549 -1.49416 -48.8549 32.0814 28.5429 -1.4942 28.5428 -13.7796 GPRESSAVG: 4886400 -32.0325 -49.657 -1.81997 -46.6408 30.2798 26.498 -2.789 31.9832 -13.1108 TIMING: 4886400 CPU: 15492.6, 0.00313708/step Wall: 15492.6, 0.00313708/step, 0.0989922 hours remaining, 243.136719 MB of memory in use. ENERGY: 4886400 3919.6038 20472.9330 14410.3747 250.1439 -203848.9378 2881.7388 0.0000 0.0000 52020.3491 -109893.7945 298.9617 -161914.1436 -109527.9867 298.8534 -96.3103 -70.1761 762876.3658 -4.8761 -4.9545 PRESSURE: 4886600 38.7964 -4.78769 144.912 -4.78718 241.143 -96.4815 144.912 -96.4819 212.8 GPRESSURE: 4886600 182.457 -15.9502 140.857 -119.482 178.459 -164.476 46.2704 -134.616 218.696 PRESSAVG: 4886600 -38.4697 -11.466 38.7622 -11.466 -8.35687 -15.1031 38.7622 -15.1031 -14.1154 GPRESSAVG: 4886600 -37.4769 -12.7236 38.5684 -10.8737 -8.5418 -14.9689 37.6396 -16.1714 -15.1035 TIMING: 4886600 CPU: 15493.2, 0.00313433/step Wall: 15493.2, 0.00313433/step, 0.0987313 hours remaining, 243.136719 MB of memory in use. ENERGY: 4886600 3957.8941 20433.6013 14447.5897 250.4659 -203869.5376 2721.7454 0.0000 0.0000 52075.0631 -109983.1781 299.2761 -162058.2411 -109622.4053 298.2474 164.2466 193.2038 760291.0934 -20.3140 -20.3741 PRESSURE: 4886800 -137.04 -17.6446 -90.4632 -17.6448 311.7 -228.183 -90.463 -228.183 301.69 GPRESSURE: 4886800 -123.124 -24.9441 -48.9606 79.7164 338.757 -111.396 -103.639 -286.667 352.358 PRESSAVG: 4886800 64.5182 -19.329 18.9396 -19.329 -64.052 -7.97623 18.9396 -7.97617 -16.1802 GPRESSAVG: 4886800 62.9788 -17.7207 18.0805 -17.9894 -63.1899 -8.40251 21.0735 -7.00828 -15.6315 TIMING: 4886800 CPU: 15493.8, 0.00313596/step Wall: 15493.8, 0.00313596/step, 0.0986086 hours remaining, 243.136719 MB of memory in use. ENERGY: 4886800 3991.9047 20409.6532 14415.5399 248.1922 -203797.2899 2771.7048 0.0000 0.0000 52103.3279 -109856.9672 299.4385 -161960.2951 -109492.0582 299.1799 158.7830 189.3301 760065.7446 -5.2380 -5.2809 PRESSURE: 4887000 88.0604 -72.4347 90.6207 -72.4339 124.833 13.9604 90.6195 13.9601 128.844 GPRESSURE: 4887000 125.913 -72.103 100.319 -34.578 200.487 86.5491 88.7222 81.4197 120.978 PRESSAVG: 4887000 -47.3362 54.2561 46.4162 54.256 24.6529 -50.8545 46.4162 -50.8545 12.4746 GPRESSAVG: 4887000 -46.5391 54.3705 46.4019 50.2565 25.1165 -51.0163 46.8012 -50.2888 11.4779 TIMING: 4887000 CPU: 15494.5, 0.0031213/step Wall: 15494.5, 0.0031213/step, 0.097974 hours remaining, 243.136719 MB of memory in use. ENERGY: 4887000 4061.8277 20384.0665 14483.7418 266.8444 -203359.6313 2529.5537 0.0000 0.0000 51891.4655 -109742.1317 298.2210 -161633.5972 -109386.2754 298.7761 113.9126 149.1262 760876.9913 -3.4029 -3.3149 PRESSURE: 4887200 -453.251 -57.7714 -102.483 -57.7711 -172.139 -247.559 -102.483 -247.56 -140.454 GPRESSURE: 4887200 -372.03 35.2204 -97.3042 -25.2543 -171.068 -194.232 10.7162 -180.966 -148.202 PRESSAVG: 4887200 -46.471 -40.4205 34.3085 -40.4206 -7.22169 -59.6866 34.3086 -59.6867 0.126389 GPRESSAVG: 4887200 -47.1418 -40.4138 34.8866 -38.3823 -7.53332 -58.6785 34.4679 -59.7362 1.01706 TIMING: 4887200 CPU: 15495.1, 0.00312447/step Wall: 15495.1, 0.00312447/step, 0.0979001 hours remaining, 243.136719 MB of memory in use. ENERGY: 4887200 3950.0699 20686.6042 14459.1148 260.7656 -203336.9118 2335.7175 0.0000 0.0000 51946.1486 -109698.4911 298.5352 -161644.6397 -109340.7480 298.7045 -255.2812 -230.4332 760490.8325 -17.8554 -17.8860 PRESSURE: 4887400 -65.7501 34.9791 33.9207 34.979 -29.5158 -71.307 33.9212 -71.307 -7.99874 GPRESSURE: 4887400 -49.9412 -73.418 16.3395 89.7698 20.8789 29.2146 -93.1413 -66.0472 11.7151 PRESSAVG: 4887400 19.0407 13.4006 -15.045 13.4007 -29.5818 -32.4015 -15.045 -32.4014 3.60193 GPRESSAVG: 4887400 18.8077 11.8019 -16.4478 12.827 -28.8911 -31.0153 -16.0054 -32.0796 2.51366 TIMING: 4887400 CPU: 15495.7, 0.00313313/step Wall: 15495.7, 0.00313313/step, 0.0979974 hours remaining, 243.136719 MB of memory in use. ENERGY: 4887400 3963.9634 20491.3248 14469.3240 246.7985 -203828.8879 2748.8932 0.0000 0.0000 52255.6419 -109652.9422 300.3139 -161908.5841 -109287.5120 299.1980 -34.4215 -5.7824 761231.2186 -2.3130 -2.5232 PRESSURE: 4887600 324.208 -118.628 345.629 -118.628 -76.2722 -212.421 345.629 -212.421 135.924 GPRESSURE: 4887600 285.889 -156.566 384.249 -89.5568 -15.7235 -240.78 279.837 -84.2218 189.156 PRESSAVG: 4887600 27.4984 -39.7583 -35.7485 -39.7584 -6.03726 27.9752 -35.7485 27.9753 -28.9188 GPRESSAVG: 4887600 27.4107 -40.5305 -35.5403 -38.4671 -6.28569 24.9123 -34.2356 29.2021 -28.4432 TIMING: 4887600 CPU: 15496.3, 0.00311081/step Wall: 15496.3, 0.00311081/step, 0.0971264 hours remaining, 243.136719 MB of memory in use. ENERGY: 4887600 3976.9664 20584.0923 14419.6201 251.0636 -203832.3202 2936.0419 0.0000 0.0000 52212.5116 -109452.0243 300.0660 -161664.5359 -109089.3234 299.2748 127.9532 153.1073 760820.6002 -2.4859 -2.4394 PRESSURE: 4887800 -367.167 51.9792 41.884 51.9799 -314.069 -100.496 41.8836 -100.495 -396.989 GPRESSURE: 4887800 -325.097 42.1916 32.9538 -21.4801 -290.203 -178.76 42.7766 -13.6644 -387.47 PRESSAVG: 4887800 -26.7202 -35.0163 5.47833 -35.0162 -6.16287 -1.31394 5.47823 -1.31392 17.8822 GPRESSAVG: 4887800 -27.5129 -34.3541 5.10515 -35.0349 -5.06773 -0.00284145 5.90277 -4.12051 18.3351 TIMING: 4887800 CPU: 15497, 0.00312512/step Wall: 15497, 0.00312512/step, 0.0973995 hours remaining, 243.136719 MB of memory in use. ENERGY: 4887800 4034.2038 20626.0622 14457.2129 249.7360 -203331.3810 2555.9863 0.0000 0.0000 51940.6676 -109467.5121 298.5037 -161408.1798 -109111.3506 299.6837 -359.4083 -334.2568 761053.9726 -5.0003 -4.7485 PRESSURE: 4888000 228.262 56.1611 -68.4533 56.1615 22.7247 -43.6552 -68.4541 -43.6556 171.848 GPRESSURE: 4888000 269.846 5.69062 -42.6859 70.8025 69.0937 42.4594 -91.0966 37.5473 172.368 PRESSAVG: 4888000 -34.6133 -11.6805 12.5745 -11.6806 4.36218 -73.1327 12.5745 -73.1327 22.5649 GPRESSAVG: 4888000 -33.5952 -11.9254 13.2897 -12.0124 3.93541 -72.0192 12.5298 -73.9859 21.276 TIMING: 4888000 CPU: 15497.6, 0.00314468/step Wall: 15497.6, 0.00314468/step, 0.0978344 hours remaining, 243.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 3985.2176 20665.9216 14447.4447 247.1716 -203502.8272 2768.4741 0.0000 0.0000 52110.7916 -109277.8060 299.4814 -161388.5976 -108906.2049 299.9776 140.9449 170.4360 760787.9047 -2.5621 -2.7946 PRESSURE: 4888200 102.517 63.2371 -84.2955 63.2369 24.4217 163.72 -84.2955 163.72 133.543 GPRESSURE: 4888200 80.7146 45.0394 -82.5314 133.878 144.244 221.163 -43.2561 45.9215 122.742 PRESSAVG: 4888200 48.4611 1.46812 -23.17 1.46803 -56.7231 -30.6102 -23.17 -30.6102 -11.0326 GPRESSAVG: 4888200 48.029 2.31511 -23.1731 2.62671 -56.017 -31.7811 -27.0163 -28.3183 -10.9092 TIMING: 4888200 CPU: 15498.2, 0.00311544/step Wall: 15498.2, 0.00311544/step, 0.0967518 hours remaining, 243.136719 MB of memory in use. ENERGY: 4888200 4032.8209 20543.9985 14507.5298 228.9368 -203235.4288 2502.5828 0.0000 0.0000 52205.7526 -109213.8075 300.0272 -161419.5601 -108848.3546 299.9414 86.8270 115.9002 760379.3404 -6.4315 -6.2991 LDB: ============= START OF LOAD BALANCING ============== 15510.7 LDB: ============== END OF LOAD BALANCING =============== 15510.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15510.7 LDB: ============= START OF LOAD BALANCING ============== 15511 LDB: Largest compute 7075 load 0.030997 is 15.8% of average load 0.195577 LDB: Average compute 0.004390 is 2.2% of average load 0.195577 LDB: TIME 15511 LOAD: AVG 0.195577 MAX 0.213693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.32 MB LDB: TIME 15511 LOAD: AVG 0.195577 MAX 0.213693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: TIME 15511 LOAD: AVG 0.195577 MAX 0.213693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.32 MB LDB: ============== END OF LOAD BALANCING =============== 15511 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 PRESSURE: 4888400 13.7672 13.0341 63.4916 13.0349 -23.7604 -89.5016 63.4911 -89.5017 137.683 GPRESSURE: 4888400 87.7797 22.8624 52.1409 -6.09458 6.39256 -1.64286 67.4821 -63.8812 111.386 PRESSAVG: 4888400 26.3039 -2.94135 -17.1616 -2.94129 -25.9983 -17.802 -17.1616 -17.802 4.15729 GPRESSAVG: 4888400 26.5355 -4.39944 -18.0676 -5.39442 -26.0723 -16.8274 -12.3523 -18.2387 4.0436 TIMING: 4888400 CPU: 15498.9, 0.00318597/step Wall: 15498.9, 0.00318597/step, 0.0987652 hours remaining, 240.808594 MB of memory in use. ENERGY: 4888400 4094.4125 20574.7105 14494.1448 253.0610 -203482.1327 2724.2688 0.0000 0.0000 52014.2528 -109327.2822 298.9266 -161341.5350 -108972.7226 299.8138 42.5632 68.5193 759627.9013 1.4876 1.5023 PRESSURE: 4888600 -10.1694 54.1007 110.171 54.1007 381.354 144.064 110.171 144.064 48.4891 GPRESSURE: 4888600 -27.7824 -59.3917 157.945 -2.15668 441.225 146.856 -19.8385 148.436 83.5809 PRESSAVG: 4888600 -50.3672 -1.59389 35.5011 -1.59382 6.39254 5.2325 35.5011 5.23252 -7.2512 GPRESSAVG: 4888600 -50.6526 -1.15188 35.0447 -1.77144 6.46636 3.14073 33.3198 5.42204 -6.57883 TIMING: 4888600 CPU: 15499.5, 0.00311521/step Wall: 15499.5, 0.00311521/step, 0.0963983 hours remaining, 241.011719 MB of memory in use. ENERGY: 4888600 3953.4114 20315.3603 14539.1904 254.4322 -203559.9778 2821.7517 0.0000 0.0000 52274.8736 -109400.9581 300.4244 -161675.8318 -109049.1852 299.8088 139.8913 165.6745 760610.6518 -17.0753 -16.9217 PRESSURE: 4888800 465.04 -73.1044 28.0533 -73.1042 257.816 185.3 28.0533 185.299 183.975 GPRESSURE: 4888800 464.732 -102.882 -91.7372 -7.83959 290.631 229.124 165.471 231.85 240.406 PRESSAVG: 4888800 -23.0013 -27.1746 9.2819 -27.1747 -22.039 55.0842 9.28189 55.0842 -16.3205 GPRESSAVG: 4888800 -23.1351 -26.3544 10.5536 -24.4219 -21.1284 56.4308 9.43507 54.2245 -16.9017 TIMING: 4888800 CPU: 15500.1, 0.00312887/step Wall: 15500.1, 0.00312887/step, 0.0966474 hours remaining, 241.011719 MB of memory in use. ENERGY: 4888800 3950.3218 20550.9720 14459.8173 244.5207 -203273.6159 2623.8339 0.0000 0.0000 52102.8688 -109341.2815 299.4359 -161444.1502 -108979.6514 299.6115 302.2772 331.9231 761181.3029 -20.4536 -20.3884 PRESSURE: 4889000 94.274 117.924 184.387 117.926 125.462 159.049 184.387 159.048 -179.476 GPRESSURE: 4889000 133.607 49.1421 154.382 120.483 97.8503 145.58 293.592 158.458 -107.841 PRESSAVG: 4889000 61.5294 15.6314 22.6352 15.6314 -36.5131 13.1535 22.6352 13.1535 -15.0629 GPRESSAVG: 4889000 62.33 13.5481 22.0388 14.5982 -38.4317 13.0205 23.2424 13.388 -14.1473 TIMING: 4889000 CPU: 15500.7, 0.00313278/step Wall: 15500.7, 0.00313278/step, 0.0965941 hours remaining, 241.011719 MB of memory in use. ENERGY: 4889000 3931.8532 20468.7147 14407.4592 246.0869 -203335.4950 2810.7871 0.0000 0.0000 52196.9984 -109273.5954 299.9769 -161470.5938 -108913.0650 299.7887 13.4200 41.2055 762656.6910 3.3178 3.2503 PRESSURE: 4889200 -149.739 -96.9596 -70.8865 -96.9589 152.625 114.144 -70.8874 114.144 258.007 GPRESSURE: 4889200 -63.6785 -53.8154 -99.9965 -82.6789 141.512 193.146 -37.2284 79.8396 262 PRESSAVG: 4889200 -11.9016 19.6996 -1.38555 19.6996 -5.89768 33.2993 -1.38549 33.2993 0.40797 GPRESSAVG: 4889200 -12.0451 21.1568 -1.43375 18.9733 -5.19737 31.9154 -2.88611 33.8839 0.0753999 TIMING: 4889200 CPU: 15501.4, 0.00310535/step Wall: 15501.4, 0.00310535/step, 0.0955756 hours remaining, 241.011719 MB of memory in use. ENERGY: 4889200 3876.6655 20447.9266 14495.5100 250.5938 -203357.8701 2602.6967 0.0000 0.0000 52313.8923 -109370.5851 300.6487 -161684.4775 -109009.0872 298.6804 86.9645 113.2777 761169.3381 -5.7971 -5.7224 PRESSURE: 4889400 134.232 -17.2008 -108.081 -17.2001 103.846 -107.619 -108.082 -107.619 15.7576 GPRESSURE: 4889400 198.35 -138.483 -188.75 13.485 120.477 -51.4643 -70.3155 -104.762 10.025 PRESSAVG: 4889400 26.9116 7.47259 -14.2986 7.47255 -36.0529 0.986805 -14.2986 0.986802 0.431622 GPRESSAVG: 4889400 26.3536 5.66876 -14.7145 7.2366 -35.8521 1.82092 -13.0751 0.716171 0.685925 TIMING: 4889400 CPU: 15502, 0.00310766/step Wall: 15502, 0.00310766/step, 0.0954742 hours remaining, 241.011719 MB of memory in use. ENERGY: 4889400 4070.4056 20527.8867 14438.1854 242.1607 -203434.0577 2629.0329 0.0000 0.0000 52285.7628 -109240.6237 300.4870 -161526.3865 -108875.6178 299.2703 84.6121 109.6172 760202.1371 -2.9032 -2.9375 PRESSURE: 4889600 75.7838 31.8854 16.0085 31.8866 80.7789 287.962 16.008 287.962 -17.2072 GPRESSURE: 4889600 120.835 43.48 -10.5475 -23.3121 124.092 245.12 -107.529 332.24 -16.7446 PRESSAVG: 4889600 35.8471 49.4225 47.5459 49.4225 -32.6599 -13.9388 47.5458 -13.9389 11.5777 GPRESSAVG: 4889600 36.0858 51.1631 48.5582 49.7971 -32.9016 -12.1444 45.8276 -13.5338 11.4318 TIMING: 4889600 CPU: 15502.6, 0.00311338/step Wall: 15502.6, 0.00311338/step, 0.0954768 hours remaining, 241.011719 MB of memory in use. ENERGY: 4889600 4009.7310 20621.9794 14395.3645 251.2279 -203344.8870 2656.8649 0.0000 0.0000 52366.7760 -109042.9433 300.9526 -161409.7193 -108689.6283 299.6985 46.4519 76.0606 759653.6855 4.9217 4.8720 PRESSURE: 4889800 5.67629 -7.34514 -17.2117 -7.34493 -260.805 29.6778 -17.2121 29.6774 210.255 GPRESSURE: 4889800 200.474 -62.4551 -68.9497 28.4737 -323.118 85.4108 19.1871 -112.226 184.471 PRESSAVG: 4889800 15.1794 -5.25884 30.6851 -5.25874 -32.2535 32.7205 30.6852 32.7204 4.80491 GPRESSAVG: 4889800 16.5149 -5.74002 31.2283 -6.84802 -33.4334 31.4482 28.7978 30.9178 5.19731 TIMING: 4889800 CPU: 15503.2, 0.00313101/step Wall: 15503.2, 0.00313102/step, 0.0958439 hours remaining, 241.011719 MB of memory in use. ENERGY: 4889800 3967.0672 20624.7177 14445.2361 261.4457 -203150.5331 2428.2579 0.0000 0.0000 52379.4791 -109044.3294 301.0256 -161423.8084 -108683.5336 299.9359 -14.9578 20.6091 759874.2709 -4.0897 -3.9071 PRESSURE: 4890000 42.9964 -113.588 171.846 -113.589 58.31 -13.7223 171.846 -13.7222 -33.1332 GPRESSURE: 4890000 105.31 -25.2911 96.2705 -91.2918 28.9865 13.1395 110.934 -132.879 -5.68847 PRESSAVG: 4890000 48.0389 -49.2221 11.2109 -49.2221 -6.93945 -19.1939 11.2109 -19.1938 -6.44516 GPRESSAVG: 4890000 47.1602 -49.0828 10.7738 -45.2812 -6.52639 -18.8713 14.4486 -18.4947 -6.33332 TIMING: 4890000 CPU: 15503.9, 0.00313308/step Wall: 15503.9, 0.00313308/step, 0.0957329 hours remaining, 241.011719 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: 4890000 4023.9764 20674.9370 14475.1479 260.7741 -202816.0589 2366.5880 0.0000 0.0000 52093.7594 -108920.8760 299.3836 -161014.6354 -108571.3577 299.9492 22.7244 42.8693 760796.2718 11.5514 11.4335 PRESSURE: 4890200 -48.0346 -284.808 87.2059 -284.807 -9.36512 -103.978 87.2062 -103.979 -161.583 GPRESSURE: 4890200 -11.1625 -173.135 93.9733 -203.98 29.3283 10.5786 -8.00288 -97.4643 -153.882 PRESSAVG: 4890200 31.1397 -62.7608 -15.1074 -62.7609 -67.5362 -5.44081 -15.1074 -5.44074 -2.60606 GPRESSAVG: 4890200 31.2029 -61.6976 -15.4821 -65.2556 -66.2395 -5.31144 -16.7416 -5.63886 -3.4591 TIMING: 4890200 CPU: 15504.5, 0.0031267/step Wall: 15504.5, 0.0031267/step, 0.0953644 hours remaining, 241.011719 MB of memory in use. ENERGY: 4890200 4056.8695 20652.2430 14460.6290 245.6982 -202895.5640 2398.3861 0.0000 0.0000 52064.1555 -109017.5827 299.2134 -161081.7382 -108657.4350 299.9765 -72.9943 -45.2389 762220.0377 -13.0009 -12.8319 PRESSURE: 4890400 -114.76 -7.54145 -134.292 -7.54038 -48.5836 -250.576 -134.292 -250.575 -112.476 GPRESSURE: 4890400 -41.0355 -9.65549 -154.455 2.0632 -8.4283 -202.945 -181.066 -224.275 -146.5 PRESSAVG: 4890400 12.7432 -66.7933 -28.3755 -66.7933 25.1723 2.60355 -28.3755 2.60357 12.0129 GPRESSAVG: 4890400 13.0155 -67.2651 -27.5936 -67.5942 24.1598 3.56431 -29.2253 3.63374 12.6441 TIMING: 4890400 CPU: 15505.1, 0.00313956/step Wall: 15505.1, 0.00313956/step, 0.0955822 hours remaining, 241.011719 MB of memory in use. ENERGY: 4890400 3916.8902 20660.4684 14520.9373 244.9391 -202799.3436 2440.7970 0.0000 0.0000 52121.7979 -108893.5138 299.5447 -161015.3117 -108522.2087 300.4856 -91.9397 -65.3211 761138.3114 16.6428 16.6064 PRESSURE: 4890600 -271.737 -95.0436 22.6856 -95.0435 141.235 -126.577 22.6862 -126.576 -542.089 GPRESSURE: 4890600 -324.851 -4.11107 -66.2793 -34.4164 247.517 -46.5621 110.736 -172.302 -502.293 PRESSAVG: 4890600 -110.748 -3.51668 0.335085 -3.51673 65.2247 9.68252 0.335068 9.68246 -5.12095 GPRESSAVG: 4890600 -111.31 -2.69902 -1.03445 -2.18786 66.209 8.7726 2.66667 9.80272 -5.33571 TIMING: 4890600 CPU: 15505.7, 0.00313163/step Wall: 15505.7, 0.00313163/step, 0.0951668 hours remaining, 241.011719 MB of memory in use. ENERGY: 4890600 4050.1819 20421.9125 14500.4000 264.3107 -203090.8846 2576.7357 0.0000 0.0000 52435.9967 -108841.3471 301.3504 -161277.3438 -108481.7429 301.1466 -224.1970 -193.2092 760206.8242 -16.8813 -16.8122 PRESSURE: 4890800 -432.701 18.2603 66.0843 18.2605 -149.177 -118.292 66.0842 -118.291 -162.032 GPRESSURE: 4890800 -357.872 -48.825 85.6565 54.5566 -172.985 -77.0452 27.1207 38.5753 -143.501 PRESSAVG: 4890800 -28.1987 39.0015 -21.6754 39.0015 41.2485 45.6231 -21.6754 45.6232 -12.0607 GPRESSAVG: 4890800 -27.9026 38.2703 -20.5921 38.7585 41.3443 44.8031 -24.634 44.4423 -11.9664 TIMING: 4890800 CPU: 15506.4, 0.0031244/step Wall: 15506.4, 0.0031244/step, 0.0947735 hours remaining, 241.011719 MB of memory in use. ENERGY: 4890800 4002.1166 20767.4689 14489.4390 245.2654 -203354.1627 2622.9539 0.0000 0.0000 52262.3244 -108964.5946 300.3523 -161226.9190 -108612.8578 300.8792 -247.9699 -224.7857 761363.3448 0.3297 0.4918 PRESSURE: 4891000 105.534 111.972 -138.909 111.972 132.471 -341.979 -138.909 -341.98 101.217 GPRESSURE: 4891000 153.263 70.7024 -47.0361 209.698 200.965 -348.357 -23.6249 -278.333 58.9531 PRESSAVG: 4891000 -68.1393 29.4097 10.1723 29.4097 35.9544 22.663 10.1722 22.6631 28.6025 GPRESSAVG: 4891000 -66.6912 30.6884 10.1279 28.6574 35.3853 21.7011 11.6518 22.8648 27.8959 TIMING: 4891000 CPU: 15507, 0.0031398/step Wall: 15507, 0.0031398/step, 0.0950663 hours remaining, 241.011719 MB of memory in use. ENERGY: 4891000 4013.2597 20505.4755 14465.2128 234.4900 -203447.2510 2895.8290 0.0000 0.0000 52297.0608 -109035.9231 300.5519 -161332.9839 -108674.9020 300.6711 113.0740 137.7269 761397.0158 -1.1942 -1.1367 PRESSURE: 4891200 310.986 -72.2 -61.7478 -72.1989 -218.348 109.329 -61.7481 109.33 390.124 GPRESSURE: 4891200 283.613 -82.0009 -75.2167 -125.936 -58.0627 92.4283 71.3999 100.597 340.121 PRESSAVG: 4891200 46.2421 -42.4901 -7.21981 -42.4901 -39.7188 17.7237 -7.21979 17.7238 -8.43816 GPRESSAVG: 4891200 44.982 -44.645 -9.41714 -42.1121 -38.843 18.447 -5.38523 18.0267 -7.81535 TIMING: 4891200 CPU: 15507.6, 0.00311197/step Wall: 15507.6, 0.00311197/step, 0.0940505 hours remaining, 241.011719 MB of memory in use. ENERGY: 4891200 4023.1101 20589.1973 14460.1053 238.9036 -203343.5775 2587.4298 0.0000 0.0000 52362.2747 -109082.5568 300.9267 -161444.8315 -108723.8155 300.5134 160.9209 188.5571 761436.0652 -0.6383 -0.5588 PRESSURE: 4891400 -271.948 154.181 -93.1178 154.182 -298.268 42.1085 -93.1176 42.1079 -171.254 GPRESSURE: 4891400 -226.674 183.606 -59.2496 49.5165 -206.659 12.9958 -50.858 77.4208 -188.872 PRESSAVG: 4891400 25.9876 -5.88325 -10.8013 -5.88325 -5.93927 5.35407 -10.8013 5.35405 9.60793 GPRESSAVG: 4891400 27.0016 -6.68165 -9.61579 -5.01924 -5.85952 5.71769 -12.6343 7.89745 8.5971 TIMING: 4891400 CPU: 15508.2, 0.00312302/step Wall: 15508.2, 0.00312302/step, 0.094211 hours remaining, 241.011719 MB of memory in use. ENERGY: 4891400 3989.9965 20646.8589 14462.3608 238.3623 -203080.7453 2450.7301 0.0000 0.0000 52180.7452 -109111.6915 299.8835 -161292.4367 -108754.9885 300.3775 -247.1566 -207.4014 761176.8597 9.8854 9.9131 PRESSURE: 4891600 -83.3409 -186.296 380.625 -186.296 -21.509 27.3088 380.625 27.3097 172.672 GPRESSURE: 4891600 -57.303 -153.649 332.919 -180.326 45.7328 82.2706 302.579 39.6486 160.138 PRESSAVG: 4891600 77.5827 24.5827 28.4701 24.5826 -26.4235 9.65181 28.4701 9.65182 -11.4927 GPRESSAVG: 4891600 75.7434 26.4685 29.496 26.4743 -25.566 8.69788 28.4827 8.86985 -10.8205 TIMING: 4891600 CPU: 15508.9, 0.00313778/step Wall: 15508.9, 0.00313778/step, 0.094482 hours remaining, 241.011719 MB of memory in use. ENERGY: 4891600 4009.9300 20460.5460 14482.3514 245.5397 -203367.1699 2698.7425 0.0000 0.0000 52273.7326 -109196.3276 300.4179 -161470.0602 -108838.2368 300.0791 22.6074 49.5226 758511.6405 13.2222 13.1190 PRESSURE: 4891800 -49.3521 -77.1402 -52.693 -77.1398 -97.9024 -109.638 -52.6925 -109.639 331.382 GPRESSURE: 4891800 64.3886 -134.296 -36.7866 -179.549 -6.35733 -229.494 -62.6799 -118.276 218.869 PRESSAVG: 4891800 31.8285 -31.2851 -9.93851 -31.2852 30.4386 12.4496 -9.93853 12.4496 29.0399 GPRESSAVG: 4891800 32.7458 -33.645 -10.6427 -30.6773 28.9933 14.0659 -11.1285 8.82474 29.4576 TIMING: 4891800 CPU: 15509.5, 0.00312415/step Wall: 15509.5, 0.00312415/step, 0.093898 hours remaining, 241.011719 MB of memory in use. ENERGY: 4891800 3965.5460 20438.9553 14506.0251 229.3974 -203260.0175 2509.8120 0.0000 0.0000 52351.8666 -109258.4152 300.8669 -161610.2818 -108899.5117 300.0384 61.3760 92.2999 759994.6516 30.4357 30.3989 PRESSURE: 4892000 -224.066 -167.657 -18.0266 -167.658 221.623 74.4429 -18.026 74.4427 -135.444 GPRESSURE: 4892000 -95.7615 -171.701 -64.9757 -127.28 131.04 124.21 -98.583 -106.004 -78.9622 PRESSAVG: 4892000 -6.21044 -14.4985 4.35456 -14.4985 13.187 -22.6744 4.35452 -22.6746 -14.4438 GPRESSAVG: 4892000 -6.00308 -13.7653 2.40389 -15.5442 13.1737 -24.3695 6.54113 -19.4229 -14.9028 TIMING: 4892000 CPU: 15510.1, 0.00312101/step Wall: 15510.1, 0.00312101/step, 0.0936302 hours remaining, 241.011719 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: 4892000 3926.0260 20631.0034 14469.4473 230.1931 -203284.6244 2567.5458 0.0000 0.0000 52018.0865 -109442.3222 298.9487 -161460.4087 -109090.5663 299.9718 -45.9627 -14.5613 760615.7746 -2.4891 -2.5774 PRESSURE: 4892200 173.599 -16.9549 -224.09 -16.9549 -132.101 -201.331 -224.089 -201.333 254.703 GPRESSURE: 4892200 206.982 57.2995 -268.328 -81.9826 -42.1991 -156.66 -229.545 -134.561 231.083 PRESSAVG: 4892200 -38.629 -7.06279 -3.02394 -7.0627 23.6792 -2.20778 -3.02395 -2.2078 -10.2625 GPRESSAVG: 4892200 -39.2721 -6.17268 -1.67242 -10.003 22.722 -0.179845 -3.26309 -2.44345 -8.86042 TIMING: 4892200 CPU: 15510.7, 0.00313933/step Wall: 15510.7, 0.00313933/step, 0.0940054 hours remaining, 241.011719 MB of memory in use. ENERGY: 4892200 3996.5261 20455.6679 14468.4871 247.0775 -203647.8605 2835.3138 0.0000 0.0000 52173.7226 -109471.0656 299.8431 -161644.7882 -109116.3795 299.4280 98.7338 131.9552 761815.8612 -8.4041 -8.4702 LDB: ============= START OF LOAD BALANCING ============== 15523.2 LDB: ============== END OF LOAD BALANCING =============== 15523.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15523.2 LDB: ============= START OF LOAD BALANCING ============== 15523.5 LDB: Largest compute 7075 load 0.031312 is 16.0% of average load 0.195508 LDB: Average compute 0.004376 is 2.2% of average load 0.195508 LDB: TIME 15523.5 LOAD: AVG 0.195508 MAX 0.217473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 15523.5 LOAD: AVG 0.195508 MAX 0.217473 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.902 MB LDB: TIME 15523.5 LOAD: AVG 0.195508 MAX 0.217473 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.902 MB LDB: ============== END OF LOAD BALANCING =============== 15523.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15523.5 PRESSURE: 4892400 243.359 9.89222 110.943 9.89315 414.211 -81.8036 110.944 -81.8029 94.6088 GPRESSURE: 4892400 281.297 2.62321 44.1704 82.1923 481.045 -71.0884 159.538 43.9329 86.8049 PRESSAVG: 4892400 33.7983 -47.45 -6.56976 -47.4501 -17.4656 20.8693 -6.56981 20.8694 -4.94744 GPRESSAVG: 4892400 33.8212 -47.1862 -5.92396 -44.7663 -16.3105 18.9837 -6.67183 22.242 -6.19499 TIMING: 4892400 CPU: 15511.4, 0.00320985/step Wall: 15511.4, 0.00320985/step, 0.0959389 hours remaining, 239.835938 MB of memory in use. ENERGY: 4892400 4002.4847 20458.5199 14473.8107 236.3904 -203924.5022 3162.3517 0.0000 0.0000 52188.9814 -109401.9634 299.9308 -161590.9448 -109038.7572 299.3026 250.7263 283.0487 761507.4556 3.7951 3.7719 PRESSURE: 4892600 6.40549 17.5076 -266.01 17.5072 -295.04 145.767 -266.01 145.767 -197.369 GPRESSURE: 4892600 0.875871 -71.24 -340.545 102.238 -176.902 88.3911 -60.6875 98.2829 -232.683 PRESSAVG: 4892600 10.0474 66.1216 -3.19219 66.1215 48.8181 -15.2089 -3.19216 -15.2089 -3.38953 GPRESSAVG: 4892600 9.04126 64.7848 -3.65545 66.3 49.6242 -17.2054 -2.49458 -16.898 -3.0787 TIMING: 4892600 CPU: 15512, 0.00313554/step Wall: 15512, 0.00313554/step, 0.0935435 hours remaining, 240.039062 MB of memory in use. ENERGY: 4892600 3991.5094 20587.5346 14421.6289 247.2348 -203433.9428 2663.3893 0.0000 0.0000 52292.4184 -109230.2274 300.5252 -161522.6458 -108866.9945 300.1256 -162.0011 -136.2362 760476.3875 18.4920 18.5289 PRESSURE: 4892800 -312.527 127.776 -79.2466 127.775 45.3257 58.209 -79.2464 58.2087 175.358 GPRESSURE: 4892800 -263.006 43.3574 -101.738 41.6788 51.7047 42.8955 -18.19 123.805 189.11 PRESSAVG: 4892800 -81.1168 -27.3341 -17.4671 -27.3341 9.7982 -43.3696 -17.4671 -43.3696 9.59841 GPRESSAVG: 4892800 -80.8799 -28.595 -17.839 -26.95 7.28291 -43.3428 -16.9025 -41.047 11.332 TIMING: 4892800 CPU: 15512.6, 0.00312387/step Wall: 15512.6, 0.00312387/step, 0.0930219 hours remaining, 240.039062 MB of memory in use. ENERGY: 4892800 3955.4853 20506.5094 14405.4797 239.0599 -203114.1718 2354.2734 0.0000 0.0000 52261.7202 -109391.6439 300.3488 -161653.3641 -109028.2580 299.9309 -30.6146 -7.3969 760159.6385 -20.5734 -20.7550 PRESSURE: 4893000 477.41 61.6603 -55.8556 61.6597 128.995 109.179 -55.8559 109.18 3.34566 GPRESSURE: 4893000 466.381 7.44507 -121.61 -44.5992 213.658 120.852 -37.5238 186.463 -3.42965 PRESSAVG: 4893000 4.96012 -26.9754 7.69474 -26.9754 16.8466 8.54301 7.69472 8.54297 37.3053 GPRESSAVG: 4893000 4.90503 -24.9787 8.57689 -27.6295 19.3123 10.623 6.69445 6.00923 35.1579 TIMING: 4893000 CPU: 15513.2, 0.00310078/step Wall: 15513.2, 0.00310078/step, 0.0921622 hours remaining, 240.039062 MB of memory in use. ENERGY: 4893000 4115.5456 20450.2267 14476.7498 246.7926 -203985.4066 2902.3984 0.0000 0.0000 52354.4597 -109439.2337 300.8818 -161793.6934 -109077.2674 299.4195 203.2501 225.5365 760361.9560 19.7040 19.7917 PRESSURE: 4893200 370.542 -39.1237 218.17 -39.1246 -123.365 176.178 218.17 176.179 417.071 GPRESSURE: 4893200 427.478 -112.099 233.317 5.66341 -152.469 169.279 203.761 137.661 469.734 PRESSAVG: 4893200 68.882 24.5261 -1.11285 24.5262 -1.95335 17.6401 -1.11289 17.6402 -13.6619 GPRESSAVG: 4893200 70.6801 25.6124 -0.887066 24.9748 -3.197 16.3879 -1.187 19.783 -14.4648 TIMING: 4893200 CPU: 15513.9, 0.00313316/step Wall: 15513.9, 0.00313316/step, 0.0929504 hours remaining, 240.039062 MB of memory in use. ENERGY: 4893200 3971.3713 20329.1247 14383.2727 262.2479 -203018.7490 2457.0529 0.0000 0.0000 52345.6480 -109270.0316 300.8312 -161615.6796 -108902.8800 299.7686 221.4160 248.2476 761451.2780 17.7556 17.6728 PRESSURE: 4893400 -227.739 162.487 41.0822 162.487 -5.68968 -221.366 41.083 -221.367 -353.487 GPRESSURE: 4893400 -230.266 211.63 71.8771 144.208 87.9929 -201.043 61.7373 -200.714 -369.997 PRESSAVG: 4893400 -14.9528 -22.7929 18.44 -22.793 13.3797 -37.3208 18.44 -37.3208 -2.01794 GPRESSAVG: 4893400 -17.2802 -23.0379 16.7756 -23.3366 16.3261 -37.1991 17.3207 -38.4135 -2.81305 TIMING: 4893400 CPU: 15514.5, 0.00313894/step Wall: 15514.5, 0.00313894/step, 0.0929475 hours remaining, 240.039062 MB of memory in use. ENERGY: 4893400 3962.7193 20778.5736 14335.7615 216.9191 -203215.7798 2614.7644 0.0000 0.0000 52074.8284 -109232.2135 299.2748 -161307.0419 -108869.4377 299.7727 -195.6387 -170.7567 763061.7241 -1.1970 -1.2557 PRESSURE: 4893600 84.3835 -96.4464 129.221 -96.4456 198.828 -127.275 129.221 -127.273 120.785 GPRESSURE: 4893600 103.632 -147.566 112.277 -186.074 187.521 -142.855 101.325 -246.283 188.283 PRESSAVG: 4893600 -6.70657 -15.4703 -4.4641 -15.4703 -5.83089 -17.5367 -4.46411 -17.5366 -1.19511 GPRESSAVG: 4893600 -4.78407 -17.7627 -3.0513 -15.4444 -8.24507 -18.0181 -4.02368 -17.5648 -1.23957 TIMING: 4893600 CPU: 15515.1, 0.00311978/step Wall: 15515.1, 0.00311978/step, 0.0922069 hours remaining, 240.039062 MB of memory in use. ENERGY: 4893600 3984.8300 20672.6109 14477.4037 256.6192 -202993.0655 2489.8516 0.0000 0.0000 52039.3631 -109072.3869 299.0709 -161111.7500 -108719.7492 300.2393 134.6654 159.8119 762152.5583 -4.5775 -4.7562 PRESSURE: 4893800 -56.2786 -82.4783 185.342 -82.4785 46.7201 28.5894 185.342 28.5883 -58.4469 GPRESSURE: 4893800 38.3342 -8.71281 205.169 -77.3355 37.4116 11.5121 103.779 9.51939 -74.4666 PRESSAVG: 4893800 -8.12594 -4.31817 42.8913 -4.31819 2.34253 24.1718 42.8912 24.1718 3.23673 GPRESSAVG: 4893800 -7.47074 -0.282084 43.5458 -6.08716 1.58978 24.6615 43.1014 24.275 3.60981 TIMING: 4893800 CPU: 15515.8, 0.00312997/step Wall: 15515.8, 0.00312997/step, 0.092334 hours remaining, 240.039062 MB of memory in use. ENERGY: 4893800 3964.4358 20656.7803 14428.7906 245.2511 -203313.4471 2673.5527 0.0000 0.0000 52238.4267 -109106.2096 300.2150 -161344.6364 -108735.1717 300.0098 -22.6685 0.4264 761264.5513 -0.8489 -0.7570 PRESSURE: 4894000 -104.013 -134.768 -212.954 -134.768 -245.468 160.946 -212.953 160.945 -228.9 GPRESSURE: 4894000 -133.797 -123.341 -208.32 -118.591 -146.473 197.192 -298.711 46.4083 -205.824 PRESSAVG: 4894000 -16.6115 -42.3763 11.0015 -42.3763 13.7384 10.3844 11.0015 10.3844 0.301459 GPRESSAVG: 4894000 -19.9513 -44.8107 10.3411 -41.3294 16.0129 11.3481 12.5145 10.354 1.68675 TIMING: 4894000 CPU: 15516.4, 0.00311072/step Wall: 15516.4, 0.00311072/step, 0.0915934 hours remaining, 240.039062 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: 4894000 4093.6362 20526.8136 14460.3547 225.4375 -203104.7312 2543.5090 0.0000 0.0000 52046.7627 -109208.2175 299.1135 -161254.9802 -108843.1192 299.6559 -192.7936 -162.0315 761171.9758 -0.8572 -0.7505 PRESSURE: 4894200 169.433 106.51 38.0377 106.511 6.95457 319.558 38.0383 319.558 -221.94 GPRESSURE: 4894200 273.231 124.875 98.4456 123.663 56.9556 276.09 -6.00387 135.354 -270.098 PRESSAVG: 4894200 63.2167 -36.1102 -11.265 -36.1102 -49.8606 -45.3641 -11.2649 -45.3641 -12.7557 GPRESSAVG: 4894200 66.1883 -36.7869 -12.225 -36.4981 -50.6611 -44.2698 -12.7608 -47.1047 -13.8715 TIMING: 4894200 CPU: 15517, 0.00311609/step Wall: 15517, 0.00311609/step, 0.0915783 hours remaining, 240.039062 MB of memory in use. ENERGY: 4894200 3944.3526 20578.1384 14453.4748 240.4712 -202981.5846 2548.3405 0.0000 0.0000 52176.2984 -109040.5088 299.8579 -161216.8072 -108680.3064 299.5740 -15.1843 20.0297 761982.0634 0.2001 0.5519 PRESSURE: 4894400 -55.5402 -366.008 -96.7313 -366.007 -71.1101 23.3782 -96.7314 23.3778 -577.851 GPRESSURE: 4894400 -90.6433 -303.582 -135.798 -371.271 52.9836 9.94193 -29.7332 -58.546 -579.787 PRESSAVG: 4894400 25.1568 -3.91746 27.1215 -3.91749 5.14489 -10.0875 27.1215 -10.0875 -10.4814 GPRESSAVG: 4894400 24.2804 -1.99126 26.0483 -1.6556 4.83375 -12.6544 26.4339 -6.63108 -9.75577 TIMING: 4894400 CPU: 15517.6, 0.00311898/step Wall: 15517.6, 0.00311898/step, 0.0914902 hours remaining, 240.039062 MB of memory in use. ENERGY: 4894400 4072.9041 20537.1948 14410.1142 233.8674 -203126.1489 2542.4803 0.0000 0.0000 52168.0122 -109161.5760 299.8103 -161329.5882 -108795.3267 300.2465 -234.8339 -205.8157 760502.3521 6.6067 6.4528 PRESSURE: 4894600 -361.633 129.851 -99.9547 129.851 -8.15876 -187.847 -99.9549 -187.847 -229.547 GPRESSURE: 4894600 -263.835 11.5136 -142.541 156.882 -1.04191 -110.259 -137.709 -118.331 -277.192 PRESSAVG: 4894600 35.9539 35.297 11.9009 35.297 -53.98 -62.4491 11.9008 -62.4491 12.2313 GPRESSAVG: 4894600 36.2933 34.1614 14.8749 33.9292 -54.806 -59.1898 11.9361 -65.5054 12.4808 TIMING: 4894600 CPU: 15518.3, 0.00313835/step Wall: 15518.3, 0.00313835/step, 0.091884 hours remaining, 240.039062 MB of memory in use. ENERGY: 4894600 4053.9729 20497.2687 14449.6647 263.1805 -203024.1924 2456.9227 0.0000 0.0000 52000.2060 -109302.9769 298.8459 -161303.1829 -108942.0251 299.7084 -199.7795 -180.6898 763112.3831 -1.9316 -2.0106 PRESSURE: 4894800 -72.388 -70.6282 163.134 -70.6282 -40.5422 0.204723 163.135 0.203337 -95.2835 GPRESSURE: 4894800 -23.8515 30.0632 193.187 -222.796 -37.8119 22.5335 47.0042 16.6901 -60.0917 PRESSAVG: 4894800 -0.731971 -71.0405 -9.81092 -71.0405 -32.1056 6.12653 -9.81091 6.12648 -10.8278 GPRESSAVG: 4894800 -1.23361 -71.3972 -11.386 -73.1727 -31.0651 4.78052 -8.21491 8.23062 -11.1086 TIMING: 4894800 CPU: 15518.9, 0.00312597/step Wall: 15518.9, 0.00312597/step, 0.0913478 hours remaining, 240.039062 MB of memory in use. ENERGY: 4894800 4058.4101 20514.0480 14390.7520 252.7231 -203272.7523 2455.5327 0.0000 0.0000 52170.3529 -109430.9336 299.8237 -161601.2865 -109076.6051 299.0271 -69.4046 -40.5850 759857.2097 -14.5551 -14.4691 PRESSURE: 4895000 -190.793 -29.8856 174.182 -29.8858 7.0998 -28.0606 174.183 -28.0602 -145.719 GPRESSURE: 4895000 -236.843 38.9362 81.1652 -78.2024 152.822 -68.8792 74.9158 -113.89 -144.674 PRESSAVG: 4895000 28.2321 -18.9616 1.37054 -18.9616 25.2862 -0.169976 1.37063 -0.169943 0.79963 GPRESSAVG: 4895000 28.4598 -19.5852 -0.0870528 -15.6357 25.7028 -0.256035 0.991165 -1.86376 0.0179177 TIMING: 4895000 CPU: 15519.5, 0.0031222/step Wall: 15519.5, 0.0031222/step, 0.091064 hours remaining, 240.039062 MB of memory in use. ENERGY: 4895000 3959.5489 20628.0006 14392.0785 231.5138 -202975.3854 2336.3677 0.0000 0.0000 51962.8748 -109465.0011 298.6314 -161427.8758 -109097.2622 299.4469 -109.8042 -76.2318 761574.2815 18.1060 18.0602 PRESSURE: 4895200 122.898 -133.738 -243.744 -133.737 -3.17732 -39.2131 -243.743 -39.2129 -372.415 GPRESSURE: 4895200 121.645 -184.331 -252.01 13.8895 -22.5553 -81.6016 -212.637 166.741 -274.186 PRESSAVG: 4895200 -21.5794 21.2873 23.4476 21.2874 46.9843 42.087 23.4475 42.087 15.0639 GPRESSAVG: 4895200 -20.5514 24.5682 23.7293 19.8089 45.9094 42.6483 24.3451 41.8891 15.5499 TIMING: 4895200 CPU: 15520.1, 0.00312705/step Wall: 15520.1, 0.00312705/step, 0.091032 hours remaining, 240.039062 MB of memory in use. ENERGY: 4895200 3994.2261 20593.1230 14450.0637 249.6562 -203761.1314 2563.3883 0.0000 0.0000 52148.9743 -109761.6998 299.7009 -161910.6741 -109403.2873 299.2029 -84.2316 -58.3653 758576.8840 13.4896 13.6359 PRESSURE: 4895400 -113.841 92.7772 -142.562 92.7768 174.119 72.1694 -142.561 72.1696 1.19332 GPRESSURE: 4895400 -29.9622 31.4927 -44.7138 -92.4894 138.781 37.5293 -61.1658 67.007 40.4352 PRESSAVG: 4895400 17.4019 -11.007 -31.8617 -11.0069 29.4632 40.872 -31.8617 40.872 -9.6682 GPRESSAVG: 4895400 17.0524 -13.5984 -30.5623 -12.7904 29.5377 42.1307 -32.031 41.9928 -9.45008 TIMING: 4895400 CPU: 15520.7, 0.00310926/step Wall: 15520.7, 0.00310926/step, 0.0903413 hours remaining, 240.039062 MB of memory in use. ENERGY: 4895400 4013.5143 20318.8432 14494.5720 245.0572 -203700.6851 2790.7480 0.0000 0.0000 52162.7378 -109675.2126 299.7800 -161837.9504 -109305.8841 298.6438 20.4904 49.7512 760829.9519 12.3989 12.3800 PRESSURE: 4895600 637.614 -74.0946 120.753 -74.0935 -108.162 -194.797 120.754 -194.797 -503.466 GPRESSURE: 4895600 559.732 -90.5838 15.5882 -86.1459 -3.41484 -187.591 202.405 -55.7212 -459.21 PRESSAVG: 4895600 -6.54871 1.41575 49.2383 1.41576 63.2443 -13.224 49.2383 -13.224 10.4994 GPRESSAVG: 4895600 -6.44832 2.89154 50.181 1.60827 63.2905 -14.3675 48.3807 -14.3097 10.5288 TIMING: 4895600 CPU: 15521.4, 0.00311855/step Wall: 15521.4, 0.00311855/step, 0.090438 hours remaining, 240.039062 MB of memory in use. ENERGY: 4895600 3965.5863 20575.9331 14462.7387 237.8865 -203621.6477 2713.2003 0.0000 0.0000 51894.1416 -109772.1611 298.2363 -161666.3027 -109423.1686 298.6863 8.6620 32.3692 759634.6885 22.3983 22.4570 PRESSURE: 4895800 -78.6209 9.65364 -166.665 9.65417 -388.869 -67.3208 -166.665 -67.3219 698.261 GPRESSURE: 4895800 -95.2486 57.0968 -134.027 -44.469 -336.471 -102.731 -193.097 -50.7142 739.397 PRESSAVG: 4895800 44.5471 -9.65446 -6.21173 -9.65441 -11.4052 -50.0838 -6.21173 -50.0838 17.0275 GPRESSAVG: 4895800 43.5025 -10.8374 -5.72014 -7.13351 -11.1195 -50.0154 -5.31457 -49.6639 17.4952 TIMING: 4895800 CPU: 15522, 0.00312345/step Wall: 15522, 0.00312345/step, 0.0904065 hours remaining, 240.039062 MB of memory in use. ENERGY: 4895800 3957.8156 20452.6363 14483.2170 255.2345 -203176.2696 2457.7161 0.0000 0.0000 51865.4195 -109704.2306 298.0713 -161569.6501 -109344.2903 298.5564 76.9237 102.5592 759807.2892 16.7231 16.6260 PRESSURE: 4896000 94.1767 158.185 95.4123 158.185 -30.4961 36.5015 95.4131 36.5 -46.0422 GPRESSURE: 4896000 170.875 140.668 114.355 263.303 -38.4963 -38.4138 48.0348 105.219 -26.9735 PRESSAVG: 4896000 38.7477 -15.2287 -54.2104 -15.2287 10.2828 -22.2614 -54.2104 -22.2615 6.33953 GPRESSAVG: 4896000 38.2011 -15.7471 -57.8193 -16.0912 11.099 -22.0242 -54.8017 -22.112 6.26379 TIMING: 4896000 CPU: 15522.6, 0.00312893/step Wall: 15522.6, 0.00312893/step, 0.0903913 hours remaining, 240.039062 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: 4896000 4007.7490 20577.0505 14444.7028 229.6896 -203381.3678 2518.7998 0.0000 0.0000 51855.8250 -109747.5512 298.0161 -161603.3761 -109403.5910 298.0163 5.8795 35.1352 758944.5653 18.4567 18.5213 PRESSURE: 4896200 -117.955 46.9101 107.64 46.9098 -332.526 27.9905 107.64 27.9902 315.074 GPRESSURE: 4896200 -112.651 144.272 163.277 -69.5532 -276.577 -9.78974 82.8849 67.8775 334.754 PRESSAVG: 4896200 15.8764 11.8334 9.0274 11.8334 -30.0421 8.9721 9.02737 8.97206 9.67312 GPRESSAVG: 4896200 16.4938 11.3094 9.99341 11.8887 -30.5958 8.74363 10.5614 8.79586 9.65598 TIMING: 4896200 CPU: 15523.2, 0.00311895/step Wall: 15523.2, 0.00311895/step, 0.0899296 hours remaining, 240.039062 MB of memory in use. ENERGY: 4896200 4027.9227 20453.8809 14495.7998 254.6572 -203584.1405 2516.8267 0.0000 0.0000 51739.8193 -110095.2339 297.3495 -161835.0533 -109730.8135 298.2853 -45.1359 -18.1579 758599.3754 -1.4975 -1.4820 LDB: ============= START OF LOAD BALANCING ============== 15535.7 LDB: ============== END OF LOAD BALANCING =============== 15535.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15535.7 LDB: ============= START OF LOAD BALANCING ============== 15536 LDB: Largest compute 7075 load 0.032118 is 16.4% of average load 0.195601 LDB: Average compute 0.004364 is 2.2% of average load 0.195601 LDB: TIME 15536 LOAD: AVG 0.195601 MAX 0.218567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 15536 LOAD: AVG 0.195601 MAX 0.218567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: TIME 15536 LOAD: AVG 0.195601 MAX 0.218122 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.473 MB LDB: ============== END OF LOAD BALANCING =============== 15536 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 PRESSURE: 4896400 311.502 26.3342 -84.6598 26.3345 130.07 216.979 -84.6603 216.978 232.268 GPRESSURE: 4896400 392.573 3.21102 -100.285 22.1917 157.409 198.049 -107.493 190.875 210.643 PRESSAVG: 4896400 27.7874 -62.0822 10.826 -62.0822 -8.37827 0.347662 10.826 0.347656 15.4529 GPRESSAVG: 4896400 28.7461 -60.997 11.7835 -63.697 -8.14878 -0.769138 10.6899 0.0471796 14.1199 TIMING: 4896400 CPU: 15523.9, 0.00317719/step Wall: 15523.9, 0.00317719/step, 0.0914324 hours remaining, 239.324219 MB of memory in use. ENERGY: 4896400 3947.0435 20504.2940 14407.6888 260.8725 -203729.4914 2686.9580 0.0000 0.0000 51970.3549 -109952.2797 298.6743 -161922.6346 -109596.4548 298.6460 224.6135 253.5416 758233.0528 11.6207 11.5724 PRESSURE: 4896600 -83.3665 361.887 18.3217 361.887 -102.747 148.247 18.3221 148.247 112.128 GPRESSURE: 4896600 -76.6414 306.567 -76.7044 249.307 -12.0571 175.809 -46.4156 76.35 79.2947 PRESSAVG: 4896600 -34.5477 -28.8239 8.58694 -28.8239 13.7032 -11.5912 8.58698 -11.5912 -12.1399 GPRESSAVG: 4896600 -34.686 -30.3323 10.8044 -27.456 13.6673 -8.40405 4.89977 -12.4828 -12.2068 TIMING: 4896600 CPU: 15524.5, 0.00311379/step Wall: 15524.5, 0.00311379/step, 0.089435 hours remaining, 239.324219 MB of memory in use. ENERGY: 4896600 3992.5387 20664.1472 14433.1667 243.6485 -203241.3600 2320.9857 0.0000 0.0000 51695.8135 -109891.0597 297.0966 -161586.8732 -109540.7546 298.1105 -24.6619 -3.1346 760239.2287 -10.9948 -11.0752 PRESSURE: 4896800 -197.536 -99.1921 -281.575 -99.1919 -138.79 -27.7247 -281.575 -27.726 -96.7498 GPRESSURE: 4896800 -176.019 -46.2511 -295.616 -135.081 -67.0611 -18.308 -210.614 -179.185 -112.66 PRESSAVG: 4896800 13.337 -29.0711 -4.32524 -29.0711 -2.84824 -2.85188 -4.32525 -2.85191 -2.2439 GPRESSAVG: 4896800 11.5545 -27.9499 -5.34247 -30.1546 -2.46515 -4.78739 -3.93197 -1.11441 0.0363675 TIMING: 4896800 CPU: 15525.1, 0.00313335/step Wall: 15525.1, 0.00313335/step, 0.0898226 hours remaining, 239.324219 MB of memory in use. ENERGY: 4896800 3960.9872 20344.3274 14469.8559 248.0022 -203578.7787 2518.5080 0.0000 0.0000 52009.9044 -110027.1935 298.9016 -162037.0980 -109656.3338 298.4419 -144.3588 -118.5800 759998.2790 2.7483 3.0419 PRESSURE: 4897000 -139.935 -136.552 101.097 -136.551 -47.0147 157.723 101.096 157.723 -452.796 GPRESSURE: 4897000 8.3452 -36.2321 115.724 -62.8622 -98.5571 98.7239 246.182 206.746 -481.448 PRESSAVG: 4897000 -12.7937 -9.55113 18.5163 -9.55114 -5.96267 2.29858 18.5163 2.29863 7.19907 GPRESSAVG: 4897000 -11.7695 -9.73258 17.0073 -8.60889 -6.2526 2.84979 21.2027 1.10947 6.62014 TIMING: 4897000 CPU: 15525.8, 0.00315645/step Wall: 15525.8, 0.00315645/step, 0.0903095 hours remaining, 239.324219 MB of memory in use. ENERGY: 4897000 4054.9732 20351.2644 14457.7567 246.4416 -203295.4678 2402.6823 0.0000 0.0000 51986.3023 -109796.0474 298.7660 -161782.3497 -109430.1480 298.4453 -213.2484 -190.5532 760326.4816 -3.8524 -3.8007 PRESSURE: 4897200 -55.6886 108.249 -61.2742 108.249 -91.88 -40.5004 -61.2745 -40.5006 -168.708 GPRESSURE: 4897200 -89.4791 222.093 -96.6962 137.755 95.1453 -10.6524 -14.8734 -15.768 -228.521 PRESSAVG: 4897200 -19.057 0.0790683 -24.1573 0.0789801 20.9408 31.1047 -24.1573 31.1046 5.47024 GPRESSAVG: 4897200 -19.0063 2.44465 -24.0193 0.143213 21.5756 30.6211 -25.4354 33.1191 5.21187 TIMING: 4897200 CPU: 15526.4, 0.0031183/step Wall: 15526.4, 0.00311829/step, 0.0890446 hours remaining, 239.324219 MB of memory in use. ENERGY: 4897200 4006.9718 20545.3567 14465.2880 246.1829 -203279.2110 2176.8985 0.0000 0.0000 51973.5475 -109864.9657 298.6927 -161838.5132 -109496.6283 298.6386 -105.4255 -74.2849 758891.3272 2.4513 2.5937 PRESSURE: 4897400 117.646 17.7215 -0.890665 17.7216 8.14431 104.407 -0.890887 104.407 266.651 GPRESSURE: 4897400 117.645 20.8581 -88.0773 119.165 113.314 77.9753 -174.235 120.669 254.303 PRESSAVG: 4897400 28.2239 8.35535 -19.1346 8.35539 12.8876 -21.571 -19.1345 -21.571 9.67362 GPRESSAVG: 4897400 28.4441 6.67992 -17.8328 8.99926 12.1593 -21.2168 -20.9409 -22.7892 10.2372 TIMING: 4897400 CPU: 15527, 0.00313199/step Wall: 15527, 0.00313199/step, 0.0892619 hours remaining, 239.324219 MB of memory in use. ENERGY: 4897400 4000.3060 20429.1703 14408.3420 249.8559 -203573.5865 2686.6865 0.0000 0.0000 52008.9860 -109790.2397 298.8964 -161799.2257 -109439.0062 298.9369 130.8136 161.7541 760170.7800 16.9284 16.9469 PRESSURE: 4897600 522.241 131.524 -249.937 131.523 -224.281 -63.4327 -249.936 -63.4319 45.0826 GPRESSURE: 4897600 525.752 7.23192 -171.126 198.893 -240.496 -100.174 -141.746 -104.124 139.342 PRESSAVG: 4897600 41.0141 7.59181 7.77464 7.59185 -45.8776 -52.2818 7.77461 -52.2818 15.4799 GPRESSAVG: 4897600 40.9801 6.60512 6.74811 7.45624 -45.4671 -53.6 10.3961 -51.9201 14.7536 TIMING: 4897600 CPU: 15527.6, 0.00312876/step Wall: 15527.6, 0.00312876/step, 0.0889959 hours remaining, 239.324219 MB of memory in use. ENERGY: 4897600 4042.8653 20405.4519 14427.5499 244.5028 -203637.2960 2570.9930 0.0000 0.0000 51969.8980 -109976.0351 298.6717 -161945.9331 -109617.2505 298.8033 114.3476 141.5328 760795.7610 3.5388 3.4222 PRESSURE: 4897800 -251.032 18.6236 -91.4382 18.6238 28.3068 48.5699 -91.4383 48.5703 176.126 GPRESSURE: 4897800 -231.895 11.7514 -125.402 31.8945 60.9853 17.239 65.2655 10.0772 205.822 PRESSAVG: 4897800 -9.25857 38.7078 12.1364 38.7078 -33.3685 -57.011 12.1364 -57.0111 -19.582 GPRESSAVG: 4897800 -9.87217 39.9176 11.9106 39.8407 -33.1655 -56.1351 11.5366 -57.9139 -18.5291 TIMING: 4897800 CPU: 15528.3, 0.00311913/step Wall: 15528.3, 0.00311913/step, 0.0885485 hours remaining, 239.324219 MB of memory in use. ENERGY: 4897800 4033.9799 20575.2203 14429.5867 251.2922 -203763.7376 2585.5676 0.0000 0.0000 52053.8232 -109834.2677 299.1540 -161888.0909 -109471.0046 299.2049 -15.5329 11.6376 760287.1718 -20.7364 -20.5222 PRESSURE: 4898000 149.791 -23.6623 25.6594 -23.6628 -120.569 -174.508 25.66 -174.508 118.592 GPRESSURE: 4898000 120.351 -28.9125 -71.7487 -15.0569 -41.9311 -231.757 63.2168 -81.9328 146.749 PRESSAVG: 4898000 -13.791 7.89547 82.6086 7.89541 -33.4789 -71.4565 82.6086 -71.4565 9.41397 GPRESSAVG: 4898000 -13.3965 5.26536 83.1416 7.54513 -33.0848 -71.2651 84.099 -72.4475 8.29498 TIMING: 4898000 CPU: 15528.9, 0.00312433/step Wall: 15528.9, 0.00312433/step, 0.0885226 hours remaining, 239.324219 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: 4898000 4022.5751 20655.6764 14402.5172 247.0429 -203631.3823 2902.6318 0.0000 0.0000 51774.3857 -109626.5531 297.5481 -161400.9388 -109268.1285 298.7059 49.2712 75.0562 759703.3093 -12.6186 -12.7288 PRESSURE: 4898200 -329.333 -211.931 -77.2906 -211.93 -323.523 204.747 -77.2902 204.749 208.825 GPRESSURE: 4898200 -273.934 -158.701 31.5019 -152.995 -337.91 144.442 -120.814 33.2627 240.894 PRESSAVG: 4898200 70.4355 20.5406 32.7208 20.5406 -59.2862 -36.7367 32.7208 -36.7366 -11.2887 GPRESSAVG: 4898200 71.8146 21.6701 32.9898 16.5767 -60.1924 -37.5361 30.0279 -33.443 -11.4111 TIMING: 4898200 CPU: 15529.5, 0.00311099/step Wall: 15529.5, 0.00311099/step, 0.0879718 hours remaining, 239.324219 MB of memory in use. ENERGY: 4898200 3972.2618 20660.5034 14406.1384 252.9676 -203519.0900 2484.7994 0.0000 0.0000 52068.3454 -109674.0740 299.2375 -161742.4194 -109307.2074 298.9848 -148.0101 -123.6499 759990.9431 -0.0465 0.0704 PRESSURE: 4898400 -315.207 -205.719 -198.564 -205.72 542.182 98.6649 -198.564 98.6663 402.306 GPRESSURE: 4898400 -145.195 -190.561 -187.548 -25.059 475.147 59.0625 -96.5039 93.6897 352.149 PRESSAVG: 4898400 -32.8982 -26.8432 -23.7473 -26.8433 5.67484 -8.17208 -23.7472 -8.17206 22.1113 GPRESSAVG: 4898400 -32.6587 -25.6343 -23.2694 -26.1971 6.40675 -8.42622 -22.9539 -11.076 21.7103 TIMING: 4898400 CPU: 15530.1, 0.00311439/step Wall: 15530.1, 0.00311439/step, 0.0878949 hours remaining, 239.324219 MB of memory in use. ENERGY: 4898400 3984.1433 20745.7585 14328.2619 220.9837 -203512.3660 2619.7063 0.0000 0.0000 51869.4803 -109744.0320 298.0946 -161613.5123 -109401.2683 298.6694 209.7600 227.3673 759773.4051 -1.7040 -1.5139 PRESSURE: 4898600 -258.434 -164.67 216.183 -164.67 -423.278 -78.9606 216.183 -78.9606 246.869 GPRESSURE: 4898600 -299.535 -121.994 259.718 -68.5116 -279.98 -54.6047 26.5352 46.9649 223.034 PRESSAVG: 4898600 38.2724 28.2746 0.493422 28.2746 -31.2171 -32.4652 0.493444 -32.4653 -3.23943 GPRESSAVG: 4898600 36.2124 28.0133 -0.607769 29.4004 -30.185 -31.1447 0.910084 -32.1923 -2.3998 TIMING: 4898600 CPU: 15530.8, 0.00310593/step Wall: 15530.8, 0.00310593/step, 0.0874837 hours remaining, 239.324219 MB of memory in use. ENERGY: 4898600 4021.1647 20468.1080 14400.5992 243.9736 -203278.1377 2514.5441 0.0000 0.0000 52085.8834 -109543.8648 299.3383 -161629.7481 -109177.5676 298.9626 -144.9477 -118.8271 761871.7834 1.2720 1.2092 PRESSURE: 4898800 80.5556 155.082 -18.0548 155.082 -343.39 -332.506 -18.0547 -332.505 -182.239 GPRESSURE: 4898800 120.295 203.157 -72.2972 101.38 -261.063 -341.193 -103.258 -380.226 -229.155 PRESSAVG: 4898800 44.7997 -12.9548 -21.5108 -12.9548 -25.0115 -26.2862 -21.5109 -26.2862 12.7809 GPRESSAVG: 4898800 46.6418 -13.9606 -22.5291 -14.9221 -24.6904 -26.7466 -21.756 -24.422 10.8871 TIMING: 4898800 CPU: 15531.4, 0.00311045/step Wall: 15531.4, 0.00311045/step, 0.0874382 hours remaining, 239.324219 MB of memory in use. ENERGY: 4898800 3943.7045 20498.4774 14353.0099 234.8988 -203312.2535 2525.3341 0.0000 0.0000 51988.7867 -109768.0419 298.7803 -161756.8287 -109396.8626 299.3839 -148.3576 -123.3077 762760.4150 10.8564 10.9462 PRESSURE: 4899000 -165.858 -86.4407 -105.183 -86.441 63.7807 -59.8357 -105.183 -59.835 412.713 GPRESSURE: 4899000 -171.328 -124.082 -6.42797 38.3839 93.3794 -17.2726 -127.394 56.4113 455.413 PRESSAVG: 4899000 42.3949 -29.418 3.1973 -29.418 -40.3152 12.3698 3.19738 12.3698 0.54519 GPRESSAVG: 4899000 41.6947 -28.894 5.22844 -24.6449 -40.5368 12.4795 2.55819 11.8424 1.82495 TIMING: 4899000 CPU: 15532, 0.00310984/step Wall: 15532, 0.00310984/step, 0.0872482 hours remaining, 239.324219 MB of memory in use. ENERGY: 4899000 3956.2716 20508.1432 14407.7377 236.8333 -203440.3188 2742.5370 0.0000 0.0000 51825.4196 -109763.3765 297.8414 -161588.7961 -109397.3125 299.0117 103.5453 125.8213 760793.9437 0.8749 0.9943 PRESSURE: 4899200 -520.084 264.903 -177.152 264.904 -265.513 286.545 -177.152 286.543 -403.303 GPRESSURE: 4899200 -471.586 278.047 -149.517 185.78 -202.01 274.834 -119.513 198.409 -447.421 PRESSAVG: 4899200 -25.56 21.0401 31.9358 21.0401 10.9718 14.7054 31.9358 14.7055 19.4445 GPRESSAVG: 4899200 -24.5821 21.1735 29.9626 16.236 9.96866 15.7883 31.3468 13.4232 19.7361 TIMING: 4899200 CPU: 15532.6, 0.0031342/step Wall: 15532.6, 0.0031342/step, 0.0877576 hours remaining, 239.324219 MB of memory in use. ENERGY: 4899200 4012.0112 20647.5264 14361.6529 259.4995 -203159.6456 2206.6409 0.0000 0.0000 52089.6230 -109582.6917 299.3598 -161672.3147 -109220.4632 298.8441 -396.3001 -373.6726 761534.8214 1.6188 1.7076 PRESSURE: 4899400 30.1341 -235.006 -3.20253 -235.006 -5.30858 -40.9546 -3.20192 -40.9551 124.357 GPRESSURE: 4899400 -0.960145 -220.19 5.89826 -93.7299 45.7353 -93.9167 54.9802 15.5977 189.91 PRESSAVG: 4899400 -69.0965 -18.7625 -8.09571 -18.7625 28.8693 -76.2661 -8.09582 -76.2661 2.28467 GPRESSAVG: 4899400 -70.4433 -18.9425 -7.53094 -17.5925 29.1323 -77.4547 -6.59629 -73.8963 2.76375 TIMING: 4899400 CPU: 15533.2, 0.00311487/step Wall: 15533.2, 0.00311487/step, 0.0870432 hours remaining, 239.324219 MB of memory in use. ENERGY: 4899400 4032.2552 20565.7011 14428.2300 240.6007 -203399.9620 2711.7875 0.0000 0.0000 51895.7851 -109525.6023 298.2458 -161421.3874 -109162.6168 299.3824 49.7275 78.2285 761549.5814 -12.6475 -12.8491 PRESSURE: 4899600 -65.8456 127.891 -72.2991 127.891 -234.57 -133.119 -72.2999 -133.118 41.193 GPRESSURE: 4899600 12.4696 119.46 -48.0196 52.0857 -171.268 -149.653 116.487 -213.144 -25.9219 PRESSAVG: 4899600 59.2982 -47.5045 8.0382 -47.5045 -57.2783 -49.7495 8.0382 -49.7494 -17.4327 GPRESSAVG: 4899600 58.2919 -45.2133 8.90878 -49.6028 -56.127 -50.5827 8.92948 -50.5946 -17.8725 TIMING: 4899600 CPU: 15533.9, 0.00311762/step Wall: 15533.9, 0.00311762/step, 0.0869469 hours remaining, 239.324219 MB of memory in use. ENERGY: 4899600 4011.4180 20504.7584 14408.4022 254.7356 -203288.0153 2637.8963 0.0000 0.0000 52184.0702 -109286.7345 299.9026 -161470.8047 -108918.9062 299.5428 -86.4075 -61.5734 761813.5506 -5.1376 -5.2359 PRESSURE: 4899800 -77.5395 78.4369 40.4653 78.4371 105.073 -172.012 40.465 -172.012 173.297 GPRESSURE: 4899800 -101.118 189.365 -2.34626 9.95476 161.562 -28.778 26.3841 -216.073 238.658 PRESSAVG: 4899800 -10.9046 -12.0695 56.6284 -12.0695 -8.5638 -44.4377 56.6285 -44.4378 24.1859 GPRESSAVG: 4899800 -8.92496 -13.5723 54.7305 -10.6097 -10.6896 -40.675 57.7211 -45.7764 24.9201 TIMING: 4899800 CPU: 15534.5, 0.00312983/step Wall: 15534.5, 0.00312983/step, 0.0871135 hours remaining, 239.324219 MB of memory in use. ENERGY: 4899800 3901.7662 20398.0749 14490.5332 267.0354 -203349.7449 2668.3905 0.0000 0.0000 52455.2418 -109168.7030 301.4610 -161623.9448 -108804.2208 299.8909 66.9433 99.7006 760763.5411 1.5725 1.7685 WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4900000 75.438 -52.2633 149.545 -52.2631 244.705 -25.4503 149.545 -25.4501 -26.9746 GPRESSURE: 4900000 37.7158 -76.2421 66.7027 -0.0412155 289.083 -32.6107 266.099 125.943 48.0503 PRESSAVG: 4900000 34.6041 -19.1681 35.4377 -19.1681 -28.4267 -57.6476 35.4379 -57.6477 3.90646 GPRESSAVG: 4900000 32.9613 -20.3314 36.2055 -17.6836 -26.213 -59.3198 31.7242 -56.6196 3.50528 TIMING: 4900000 CPU: 15535.2, 0.00349126/step Wall: 15535.2, 0.00349126/step, 0.0969793 hours remaining, 239.324219 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: 4900000 3930.6976 20686.4790 14510.2584 264.2457 -203712.3907 2923.7252 0.0000 0.0000 52158.8063 -109238.1785 299.7574 -161396.9848 -108880.0544 299.9826 97.7227 124.9498 760287.9451 3.3613 3.4179 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 PRESSURE: 4900200 231.326 94.4728 -60.435 94.4727 154.4 -160.527 -60.4357 -160.528 -264.73 GPRESSURE: 4900200 200.152 57.8024 -78.5149 41.6943 197.615 -230.222 -170.189 57.1304 -200.301 PRESSAVG: 4900200 -5.88361 -61.469 -35.8433 -61.469 12.5605 10.9662 -35.8434 10.9662 -2.93249 GPRESSAVG: 4900200 -5.32928 -61.2049 -35.7426 -63.8182 11.9496 10.2029 -35.6098 10.2173 -2.10614 TIMING: 4900200 CPU: 15535.8, 0.00312352/step Wall: 15535.8, 0.00312352/step, 0.0865909 hours remaining, 239.324219 MB of memory in use. ENERGY: 4900200 3953.9331 20480.0954 14491.6466 262.3829 -203196.3116 2461.4788 0.0000 0.0000 52126.2865 -109420.4883 299.5705 -161546.7748 -109053.6920 299.4989 40.3322 65.8219 762022.3783 1.2481 1.5047 LDB: ============= START OF LOAD BALANCING ============== 15548.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15548.3 LDB: =============== DONE WITH MIGRATION ================ 15548.3 LDB: ============= START OF LOAD BALANCING ============== 15548.6 LDB: Largest compute 7035 load 0.030816 is 15.8% of average load 0.195540 LDB: Average compute 0.004384 is 2.2% of average load 0.195540 LDB: TIME 15548.6 LOAD: AVG 0.19554 MAX 0.217653 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.375 MB LDB: TIME 15548.6 LOAD: AVG 0.19554 MAX 0.217653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 MB LDB: TIME 15548.6 LOAD: AVG 0.19554 MAX 0.217653 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.414 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: 4900400 -189.905 -96.0571 111.73 -96.0576 178.131 34.0756 111.731 34.0744 83.0313 GPRESSURE: 4900400 -101.421 -126.574 20.5462 47.6968 240.031 23.5614 50.9951 -95.8268 5.24431 PRESSAVG: 4900400 -35.7329 -35.1182 24.5349 -35.1182 1.78899 68.3573 24.5349 68.3573 -13.9397 GPRESSAVG: 4900400 -35.1418 -35.4213 24.5999 -31.8259 3.54427 68.2161 24.9862 69.3073 -16.0224 TIMING: 4900400 CPU: 15536.5, 0.00318242/step Wall: 15536.5, 0.00318242/step, 0.088047 hours remaining, 239.324219 MB of memory in use. ENERGY: 4900400 4024.7537 20376.2825 14463.6370 236.5016 -203005.8929 2595.9816 0.0000 0.0000 51998.8245 -109309.9121 298.8380 -161308.7365 -108949.1018 299.0487 23.7525 47.9516 762432.6201 -15.9612 -15.8733 PRESSURE: 4900600 -42.3913 141.095 106.919 141.096 -120.684 -183.192 106.92 -183.192 295.635 GPRESSURE: 4900600 32.8107 41.9378 47.7582 26.9679 -38.1775 -252.856 106.872 -55.7318 235.864 PRESSAVG: 4900600 14.9227 -58.4474 -11.5445 -58.4474 1.5158 11.0232 -11.5445 11.0232 15.3756 GPRESSAVG: 4900600 14.3097 -56.8498 -11.8312 -60.4149 1.1229 11.4182 -9.25252 8.98585 16.1347 TIMING: 4900600 CPU: 15537.1, 0.00311456/step Wall: 15537.1, 0.00311456/step, 0.0859966 hours remaining, 239.527344 MB of memory in use. ENERGY: 4900600 3951.3642 20333.0658 14522.0560 246.9009 -202716.3114 2519.9475 0.0000 0.0000 51989.9425 -109153.0346 298.7869 -161142.9771 -108788.8251 299.3822 44.1866 76.8324 762486.2608 10.6047 10.5224 PRESSURE: 4900800 0.030843 -239.376 76.225 -239.376 -30.6163 -75.7837 76.2244 -75.7837 -324.42 GPRESSURE: 4900800 -47.0668 -174.55 75.6464 -254.825 -36.1287 -16.2961 50.0217 -106.137 -184.349 PRESSAVG: 4900800 9.5566 -58.045 36.9523 -58.0449 5.2391 -4.04262 36.9523 -4.04266 -0.201777 GPRESSAVG: 4900800 9.44082 -58.4009 37.6957 -58.4947 4.84015 -4.49162 35.4446 -3.74606 0.583748 TIMING: 4900800 CPU: 15537.7, 0.00314214/step Wall: 15537.7, 0.00314214/step, 0.0865835 hours remaining, 239.527344 MB of memory in use. ENERGY: 4900800 3977.7842 20397.9400 14445.8041 248.8453 -203316.9485 2661.4641 0.0000 0.0000 52294.1147 -109290.9960 300.5350 -161585.1108 -108921.1022 300.1219 -118.3352 -89.1815 760996.3355 4.8646 4.9549 PRESSURE: 4901000 165.389 -11.5311 70.62 -11.5314 -120.044 115.796 70.6204 115.796 -126.65 GPRESSURE: 4901000 148.251 -146.715 140.481 41.5914 0.821621 170.393 56.0973 163.692 -142.453 PRESSAVG: 4901000 -4.82739 -25.3267 13.5297 -25.3267 -5.37826 -22.5943 13.5297 -22.5942 2.16763 GPRESSAVG: 4901000 -5.49755 -23.3462 13.7237 -26.7588 -4.95784 -20.8841 12.7626 -23.5547 2.23716 TIMING: 4901000 CPU: 15538.3, 0.00310533/step Wall: 15538.3, 0.00310533/step, 0.0853967 hours remaining, 239.527344 MB of memory in use. ENERGY: 4901000 3938.1714 20399.2227 14470.9922 254.6117 -202817.9659 2373.7936 0.0000 0.0000 52187.2018 -109193.9724 299.9206 -161381.1742 -108830.1112 299.7043 -27.1016 2.2065 761896.5441 -2.6793 -2.7394 PRESSURE: 4901200 77.4742 -23.9495 13.0608 -23.9493 -317.779 -76.027 13.0611 -76.0271 218.873 GPRESSURE: 4901200 88.974 83.7003 64.6262 -9.02549 -194.375 -71.6778 93.3735 -90.8586 161.425 PRESSAVG: 4901200 74.657 -38.0677 8.15285 -38.0678 -74.2273 3.87217 8.15275 3.87221 13.1692 GPRESSAVG: 4901200 75.3959 -39.8813 8.81925 -37.2495 -74.683 3.18049 8.97965 5.55223 12.5449 TIMING: 4901200 CPU: 15539, 0.0031244/step Wall: 15539, 0.0031244/step, 0.0857474 hours remaining, 239.527344 MB of memory in use. ENERGY: 4901200 4013.5425 20565.5597 14431.6254 240.2747 -202824.1246 2441.3469 0.0000 0.0000 51875.6827 -109256.0928 298.1303 -161131.7755 -108896.6425 300.2221 -7.1441 18.6745 760922.1504 4.5330 4.4193 PRESSURE: 4901400 -65.9406 -68.573 -138.966 -68.5729 -482.048 -189.169 -138.966 -189.17 12.5564 GPRESSURE: 4901400 6.05436 -100.869 -235.304 -93.4102 -475.812 -268.979 -169.014 -186.094 26.8378 PRESSAVG: 4901400 128.835 -75.6361 -7.10383 -75.6361 -40.3011 -30.7744 -7.10381 -30.7745 16.4092 GPRESSAVG: 4901400 128.368 -77.1155 -7.98921 -75.5662 -40.8356 -29.8471 -7.71798 -31.4918 16.8553 TIMING: 4901400 CPU: 15539.6, 0.00313527/step Wall: 15539.6, 0.00313527/step, 0.0858716 hours remaining, 239.527344 MB of memory in use. ENERGY: 4901400 4043.6462 20638.3595 14432.5728 248.8052 -203207.3322 2560.1804 0.0000 0.0000 52228.9334 -109054.8347 300.1604 -161283.7682 -108687.4106 300.2544 -178.4774 -147.6401 762621.8963 34.9811 34.7958 PRESSURE: 4901600 -85.4627 -154.187 -85.6925 -154.187 198.656 138.998 -85.6927 138.999 -388.331 GPRESSURE: 4901600 39.0536 -157.095 -137.626 -137.653 75.5977 129.739 67.6752 -3.35239 -334.042 PRESSAVG: 4901600 53.8816 -40.8079 10.5155 -40.8079 -71.2678 48.0115 10.5155 48.0115 -5.34077 GPRESSAVG: 4901600 54.4001 -39.4411 8.96262 -41.4579 -71.1263 47.5576 9.62188 46.9543 -6.02789 TIMING: 4901600 CPU: 15540.2, 0.0031255/step Wall: 15540.2, 0.0031255/step, 0.0854304 hours remaining, 239.527344 MB of memory in use. ENERGY: 4901600 4093.1646 20419.6721 14448.3133 232.9506 -203218.2789 2748.2036 0.0000 0.0000 52099.4124 -109176.5624 299.4160 -161275.9748 -108808.6852 300.1199 -91.7125 -73.1301 762790.9566 -7.5757 -7.5847 PRESSURE: 4901800 134.928 -152.418 -2.40168 -152.417 -147.753 -55.1559 -2.40138 -55.1547 -167.588 GPRESSURE: 4901800 47.5701 -197.729 -18.7477 -178.953 -59.9754 -136.472 -19.1227 -104.5 -84.836 PRESSAVG: 4901800 1.28574 -11.9943 -37.4788 -11.9942 -5.25028 6.77853 -37.4787 6.77855 3.89596 GPRESSAVG: 4901800 1.63752 -11.2892 -36.639 -11.5828 -5.27677 5.9186 -35.6591 10.026 4.26916 TIMING: 4901800 CPU: 15540.8, 0.00312651/step Wall: 15540.8, 0.00312651/step, 0.0852842 hours remaining, 239.527344 MB of memory in use. ENERGY: 4901800 4042.5261 20494.7807 14388.2774 242.1406 -203237.8772 2523.8832 0.0000 0.0000 52247.3225 -109298.9467 300.2661 -161546.2692 -108933.1171 299.9715 -60.1376 -32.4138 763241.0974 -0.0229 0.2100 PRESSURE: 4902000 -581.277 29.3818 -89.8494 29.3806 -412.064 -8.23043 -89.8493 -8.23117 -171.014 GPRESSURE: 4902000 -521.97 -7.51263 -28.2721 141.185 -417.825 -3.11383 -90.764 52.0258 -143.217 PRESSAVG: 4902000 10.022 -26.1714 -50.4169 -26.1713 2.93239 -35.7446 -50.4169 -35.7447 16.9824 GPRESSAVG: 4902000 9.3352 -28.834 -48.9921 -24.5337 3.30126 -35.9017 -51.4272 -36.5523 16.728 TIMING: 4902000 CPU: 15541.5, 0.00315322/step Wall: 15541.5, 0.00315322/step, 0.0858377 hours remaining, 239.527344 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: 4902000 3931.3240 20552.1686 14548.1799 244.0822 -202894.6904 2250.1412 0.0000 0.0000 51976.7036 -109392.0908 298.7108 -161368.7944 -109026.6389 299.6963 -388.1185 -361.0036 763088.2490 9.9789 9.7882 PRESSURE: 4902200 -303.133 -189.1 172.918 -189.098 -78.3968 -15.7684 172.917 -15.7693 57.9134 GPRESSURE: 4902200 -214.362 -209.469 151.699 -155.821 -50.0161 -70.0133 67.9877 -75.2181 20.0282 PRESSAVG: 4902200 -43.8762 -18.5799 4.1905 -18.5799 36.1597 7.27845 4.19044 7.27849 2.15601 GPRESSAVG: 4902200 -43.5126 -18.0131 3.8129 -19.7141 36.473 6.58621 2.80745 8.07363 1.88447 TIMING: 4902200 CPU: 15542.1, 0.00314202/step Wall: 15542.1, 0.00314202/step, 0.0853583 hours remaining, 239.527344 MB of memory in use. ENERGY: 4902200 4046.5844 20540.2151 14494.9328 238.7804 -203385.2394 2616.4397 0.0000 0.0000 51979.6860 -109468.6010 298.7280 -161448.2870 -109101.1562 299.2131 -107.8721 -81.4498 761990.6431 -1.8535 -1.7184 PRESSURE: 4902400 -56.4958 -13.7444 -85.9858 -13.7442 -137.022 70.6002 -85.9856 70.6001 113.759 GPRESSURE: 4902400 -65.2948 -123.028 -56.6642 90.9036 -60.1879 75.166 -158.393 50.3136 130.494 PRESSAVG: 4902400 3.49906 14.6904 28.2331 14.6905 -37.2965 3.14796 28.233 3.14789 5.50923 GPRESSAVG: 4902400 3.46742 11.7334 28.9678 15.1607 -37.1247 3.03894 28.4021 3.09602 5.83177 TIMING: 4902400 CPU: 15542.7, 0.00314611/step Wall: 15542.7, 0.00314611/step, 0.0852946 hours remaining, 239.527344 MB of memory in use. ENERGY: 4902400 3964.8656 20543.7514 14538.6000 246.9496 -203263.2873 2374.5149 0.0000 0.0000 52174.6432 -109419.9627 299.8484 -161594.6059 -109055.2236 299.2827 -26.5861 1.6703 760703.8296 -9.4294 -9.2752 PRESSURE: 4902600 234.719 -126.417 -133.472 -126.417 144.309 126.426 -133.472 126.428 75.2885 GPRESSURE: 4902600 123.189 -67.4893 -180.169 -141.199 248.618 169.144 -68.2319 180.113 145.516 PRESSAVG: 4902600 8.38419 -16.3113 -12.6682 -16.3113 -15.6376 -5.91566 -12.6682 -5.91566 0.851651 GPRESSAVG: 4902600 8.92637 -13.4524 -12.9952 -16.4724 -16.1823 -4.17001 -10.0098 -6.6775 0.646625 TIMING: 4902600 CPU: 15543.3, 0.00315383/step Wall: 15543.3, 0.00315383/step, 0.0853286 hours remaining, 239.527344 MB of memory in use. ENERGY: 4902600 4002.6677 20716.6942 14449.9968 250.2986 -203408.2338 2632.6803 0.0000 0.0000 51925.1937 -109430.7026 298.4148 -161355.8962 -109077.1326 299.3694 151.4388 172.4409 759661.0552 -2.1339 -2.2031 PRESSURE: 4902800 -85.3387 94.0022 38.907 94.002 -242.61 33.4719 38.9074 33.4732 215.328 GPRESSURE: 4902800 -30.779 63.4849 14.773 187.279 -197.96 61.784 -11.8605 -34.9462 210.951 PRESSAVG: 4902800 29.2645 16.0433 15.3396 16.0433 -20.1604 -11.9405 15.3397 -11.9406 -5.94499 GPRESSAVG: 4902800 28.4086 16.2431 14.4348 15.3507 -19.1459 -11.8721 14.9068 -11.1743 -5.57184 TIMING: 4902800 CPU: 15544, 0.00313743/step Wall: 15544, 0.00313744/step, 0.0847108 hours remaining, 239.527344 MB of memory in use. ENERGY: 4902800 3980.9212 20577.6484 14384.3149 243.1447 -203323.9435 2465.0059 0.0000 0.0000 52203.6496 -109469.2589 300.0151 -161672.9084 -109100.8869 299.4959 -37.5400 -5.9292 760984.0219 1.0530 1.2303 PRESSURE: 4903000 -447.939 93.2963 323.299 93.2949 -295.629 -202.066 323.299 -202.067 -518.276 GPRESSURE: 4903000 -348.151 79.1391 392.968 21.191 -235.3 -263.304 309.287 -207.978 -584.699 PRESSAVG: 4903000 -1.13218 -1.28063 -16.3137 -1.2806 -41.9133 39.3356 -16.3137 39.3356 -4.55084 GPRESSAVG: 4903000 -1.20987 -0.787281 -15.8443 -1.3414 -42.4611 37.0322 -17.3489 37.2613 -4.1576 TIMING: 4903000 CPU: 15544.6, 0.00317509/step Wall: 15544.6, 0.00317509/step, 0.0855509 hours remaining, 239.527344 MB of memory in use. ENERGY: 4903000 4024.1348 20447.8506 14549.9524 242.8033 -203405.7373 2701.4586 0.0000 0.0000 52124.9731 -109314.5645 299.5629 -161439.5376 -108934.2304 299.2455 -420.6150 -389.3833 762390.0863 -15.8654 -15.9428 PRESSURE: 4903200 21.635 -187.739 -258.914 -187.739 140.063 -181.224 -258.914 -181.225 -36.6144 GPRESSURE: 4903200 -4.24864 -214.676 -306.678 -75.7743 240.875 -122.455 -98.9259 -35.219 0.989465 PRESSAVG: 4903200 15.2714 -40.6226 -43.2546 -40.6226 -40.1 22.0263 -43.2545 22.0264 16.8636 GPRESSAVG: 4903200 15.1558 -42.0847 -41.1388 -40.9005 -40.264 23.4108 -44.7784 26.034 17.1019 TIMING: 4903200 CPU: 15545.2, 0.00317133/step Wall: 15545.2, 0.00317133/step, 0.0852737 hours remaining, 239.527344 MB of memory in use. ENERGY: 4903200 3936.1337 20512.5735 14597.4184 259.4450 -203230.5482 2420.2999 0.0000 0.0000 52208.8330 -109295.8446 300.0449 -161504.6777 -108933.6149 299.8119 41.6944 79.2054 762338.4187 -2.6550 -2.6688 PRESSURE: 4903400 -240.928 -31.4245 -134.293 -31.4245 60.3446 29.9785 -134.293 29.9775 -111.473 GPRESSURE: 4903400 -294.82 -116.852 14.0542 65.3367 144.037 -38.0008 -108.983 -75.177 -49.6319 PRESSAVG: 4903400 -46.6017 -79.751 -34.8524 -79.751 29.7589 22.3874 -34.8524 22.3874 -20.7658 GPRESSAVG: 4903400 -46.6556 -79.5159 -36.2831 -78.8323 29.3457 22.2022 -34.1296 19.2361 -20.694 TIMING: 4903400 CPU: 15545.9, 0.00313748/step Wall: 15545.9, 0.00313748/step, 0.0841891 hours remaining, 239.527344 MB of memory in use. ENERGY: 4903400 4062.2044 20717.4480 14485.3859 266.7882 -203133.6234 2546.6874 0.0000 0.0000 51899.8089 -109155.3007 298.2689 -161055.1095 -108792.1344 299.8077 -97.3522 -66.8050 763088.1607 -12.5362 -12.6679 PRESSURE: 4903600 189.475 -123.296 -123.15 -123.296 -56.6202 37.6251 -123.149 37.6258 -151.116 GPRESSURE: 4903600 99.227 -65.9344 -71.5631 -80.9552 68.014 -62.7028 69.8072 118.005 -85.7891 PRESSAVG: 4903600 -9.92221 -21.3002 -43.009 -21.3002 -23.3212 8.3983 -43.009 8.39821 13.1331 GPRESSAVG: 4903600 -10.6731 -19.9647 -43.9713 -20.8791 -22.1221 8.8182 -40.7175 6.54638 12.5694 TIMING: 4903600 CPU: 15546.5, 0.00314768/step Wall: 15546.5, 0.00314768/step, 0.0842879 hours remaining, 239.527344 MB of memory in use. ENERGY: 4903600 3989.1352 20483.5249 14466.7131 230.4206 -203450.8157 2840.6653 0.0000 0.0000 52083.0577 -109357.2988 299.3220 -161440.3566 -108998.4726 299.9868 -6.0872 27.1506 761878.6072 -6.7034 -6.7419 PRESSURE: 4903800 -104.421 -74.5517 118.422 -74.5513 -229.834 -177.888 118.422 -177.888 -109.102 GPRESSURE: 4903800 -69.0782 -131.141 146.793 -78.2868 -193.82 -244.792 187.094 -40.429 -83.6033 PRESSAVG: 4903800 8.22338 -43.3597 -2.0289 -43.3597 39.8735 -37.269 -2.02888 -37.269 27.4019 GPRESSAVG: 4903800 7.53803 -43.0286 -3.28092 -42.683 40.7713 -37.964 -4.53699 -35.1495 26.8278 TIMING: 4903800 CPU: 15547.1, 0.00314527/step Wall: 15547.1, 0.00314527/step, 0.0840487 hours remaining, 239.527344 MB of memory in use. ENERGY: 4903800 4038.1802 20405.9094 14512.7020 236.0903 -203044.3210 2338.7629 0.0000 0.0000 52218.3057 -109294.3705 300.0993 -161512.6761 -108930.3813 299.2500 -147.7858 -115.5006 760368.0484 25.1663 25.0457 PRESSURE: 4904000 365.722 171.095 150.494 171.095 -132.775 -59.582 150.495 -59.5826 -157.627 GPRESSURE: 4904000 310.457 132.858 102.545 227.23 -15.2642 -41.6055 4.28708 -42.5607 -122.381 PRESSAVG: 4904000 22.0628 3.93875 -13.9789 3.93874 -1.67429 -2.51689 -13.9789 -2.51687 -18.881 GPRESSAVG: 4904000 23.6503 2.43743 -12.6547 1.90213 -2.82648 -0.55999 -12.635 -3.70468 -19.696 TIMING: 4904000 CPU: 15547.8, 0.00313599/step Wall: 15547.8, 0.00313599/step, 0.0836264 hours remaining, 239.527344 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: 4904000 4090.9527 20590.8743 14433.7483 245.3429 -203768.0441 2747.8593 0.0000 0.0000 52188.1150 -109471.1516 299.9258 -161659.2666 -109116.3841 299.5019 25.1064 57.6039 758684.0932 0.5025 0.3760 PRESSURE: 4904200 56.1728 -147.082 -164.002 -147.083 -14.5278 241.253 -164.003 241.253 -199.075 GPRESSURE: 4904200 37.8613 -98.5992 -193.79 -214.035 24.9539 232.199 -97.9554 128.735 -137.212 PRESSAVG: 4904200 5.50037 -9.83347 42.6855 -9.83348 -24.8654 44.7295 42.6855 44.7295 4.88833 GPRESSAVG: 4904200 5.12231 -11.5611 43.2917 -9.71768 -25.8863 42.8198 41.8443 45.175 6.60546 TIMING: 4904200 CPU: 15548.4, 0.00311284/step Wall: 15548.4, 0.00311284/step, 0.0828361 hours remaining, 239.527344 MB of memory in use. ENERGY: 4904200 3992.4900 20461.1175 14384.9767 260.3888 -202940.5422 2312.6525 0.0000 0.0000 51898.6337 -109630.2830 298.2622 -161528.9167 -109259.3046 298.9248 -52.4766 -24.7989 760389.2058 -4.8256 -4.7195 LDB: ============= START OF LOAD BALANCING ============== 15560.8 LDB: ============== END OF LOAD BALANCING =============== 15560.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15560.8 LDB: ============= START OF LOAD BALANCING ============== 15561.1 LDB: Largest compute 7066 load 0.033406 is 17.1% of average load 0.195522 LDB: Average compute 0.004391 is 2.2% of average load 0.195522 LDB: TIME 15561.1 LOAD: AVG 0.195522 MAX 0.218607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.379 MB LDB: TIME 15561.1 LOAD: AVG 0.195522 MAX 0.218607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: TIME 15561.1 LOAD: AVG 0.195522 MAX 0.21509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.582 MB LDB: ============== END OF LOAD BALANCING =============== 15561.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15561.2 PRESSURE: 4904400 -53.6746 -70.375 71.5555 -70.376 -260.832 162.179 71.5546 162.18 -186.711 GPRESSURE: 4904400 15.5107 -10.6472 99.5516 -136.349 -272.853 101.99 176.351 288.175 -158.848 PRESSAVG: 4904400 -3.06576 -44.6063 22.0101 -44.6064 -0.0439759 50.7461 22.0101 50.7461 22.6331 GPRESSAVG: 4904400 -3.73173 -39.4156 20.3755 -43.6685 1.01259 51.4155 23.9697 48.9806 22.3298 TIMING: 4904400 CPU: 15549, 0.00319679/step Wall: 15549, 0.00319679/step, 0.0848926 hours remaining, 241.320312 MB of memory in use. ENERGY: 4904400 3976.8344 20571.5478 14435.4377 248.1910 -203407.1865 2437.1615 0.0000 0.0000 52014.1690 -109723.8452 298.9261 -161738.0142 -109350.0789 298.7877 -167.0728 -138.7303 760324.8867 6.5078 6.5369 PRESSURE: 4904600 -146.321 83.0298 33.4284 83.0304 -48.4412 86.9231 33.4281 86.9227 156.785 GPRESSURE: 4904600 -107.687 42.4747 81.9831 90.6794 -9.58433 91.8876 -57.1075 58.6384 180.31 PRESSAVG: 4904600 -18.0922 -9.15337 -1.04216 -9.15336 -4.73425 67.8706 -1.04216 67.8707 8.98189 GPRESSAVG: 4904600 -17.0843 -11.3924 -0.388463 -8.21168 -5.09929 67.4337 -2.25906 72.811 8.20615 TIMING: 4904600 CPU: 15549.6, 0.00312589/step Wall: 15549.6, 0.00312589/step, 0.082836 hours remaining, 241.523438 MB of memory in use. ENERGY: 4904600 3930.9883 20462.2395 14536.6358 246.3642 -203447.5794 2605.8584 0.0000 0.0000 51979.0257 -109686.4674 298.7242 -161665.4932 -109324.0838 299.3289 -12.6590 21.0128 759221.9349 -4.6148 -4.6592 PRESSURE: 4904800 42.5795 -116.97 -125.583 -116.97 -132.654 -215.442 -125.583 -215.442 -34.769 GPRESSURE: 4904800 22.0918 -163.775 -151.282 -130.407 10.7255 -172.93 -54.3256 -239.286 -53.1835 PRESSAVG: 4904800 16.9048 -29.1823 15.3641 -29.1822 -13.6236 44.943 15.364 44.9429 -7.73456 GPRESSAVG: 4904800 15.7288 -30.5964 14.9649 -28.8694 -13.0933 44.3229 15.5517 41.2353 -7.27566 TIMING: 4904800 CPU: 15550.3, 0.00309578/step Wall: 15550.3, 0.00309578/step, 0.0818661 hours remaining, 241.523438 MB of memory in use. ENERGY: 4904800 3950.6504 20551.4432 14412.8205 254.9247 -203332.8234 2382.3503 0.0000 0.0000 51969.8047 -109810.8297 298.6712 -161780.6344 -109443.3269 298.9063 -41.6144 -6.7887 761512.9496 -1.4844 -1.5467 PRESSURE: 4905000 137.9 276.139 -0.7998 276.138 104.435 104.686 -0.798545 104.685 355.659 GPRESSURE: 4905000 175.31 207.144 102.464 198.975 116.153 74.0521 72.2853 4.41873 390.916 PRESSAVG: 4905000 -5.5737 -10.2825 -0.863272 -10.2826 14.1816 24.6415 -0.863285 24.6415 10.3206 GPRESSAVG: 4905000 -4.71097 -9.06873 0.797161 -12.1653 13.7775 24.4201 -1.67103 24.8179 9.80275 TIMING: 4905000 CPU: 15550.9, 0.00312202/step Wall: 15550.9, 0.00312202/step, 0.0823866 hours remaining, 241.523438 MB of memory in use. ENERGY: 4905000 3992.2265 20437.8726 14439.5101 249.9309 -203917.2506 2722.4556 0.0000 0.0000 52176.8423 -109898.4125 299.8610 -162075.2548 -109535.0290 299.1076 199.3314 227.4597 759869.1667 6.3095 6.2898 PRESSURE: 4905200 -164.733 101.329 27.1878 101.328 72.6017 -46.2155 27.1868 -46.2173 506.396 GPRESSURE: 4905200 -80.1528 84.2004 -30.7696 76.0858 35.1305 -47.6697 -56.7999 36.8526 543.431 PRESSAVG: 4905200 -65.8878 30.2854 45.4303 30.2855 41.0413 58.8742 45.4303 58.8742 7.62283 GPRESSAVG: 4905200 -65.9786 30.39 42.7824 30.7479 41.261 60.2216 45.2199 58.4762 7.7804 TIMING: 4905200 CPU: 15551.5, 0.00310137/step Wall: 15551.5, 0.00310137/step, 0.0816693 hours remaining, 241.523438 MB of memory in use. ENERGY: 4905200 3914.6809 20438.4633 14436.9829 234.5265 -203313.8466 2502.4572 0.0000 0.0000 51956.3682 -109830.3676 298.5940 -161786.7358 -109475.2564 299.1123 138.0883 166.1362 759836.9421 -5.7412 -5.6457 PRESSURE: 4905400 14.301 243.365 -43.6074 243.364 76.6417 197.696 -43.6063 197.697 -161.65 GPRESSURE: 4905400 65.1887 355.347 39.7704 223.837 175.258 111.661 -110.457 243.258 -226.07 PRESSAVG: 4905400 -51.1808 -4.85473 1.11519 -4.8547 -9.15234 38.3146 1.11515 38.3146 -21.6597 GPRESSAVG: 4905400 -50.9776 -4.69227 2.72457 -5.44785 -8.83619 37.5664 2.00626 41.3842 -22.1081 TIMING: 4905400 CPU: 15552.1, 0.00311128/step Wall: 15552.1, 0.00311128/step, 0.0817576 hours remaining, 241.523438 MB of memory in use. ENERGY: 4905400 4007.4278 20421.5909 14469.0323 243.9179 -203332.2276 2493.8919 0.0000 0.0000 52196.2819 -109500.0849 299.9727 -161696.3668 -109135.2616 298.8529 -23.5692 4.7921 759517.3941 -27.3310 -27.3073 PRESSURE: 4905600 -219.915 -72.8406 -41.0462 -72.8405 -147.708 24.51 -41.0462 24.5099 179.509 GPRESSURE: 4905600 -198.709 -126.093 -50.4808 -64.3243 -113.285 6.81561 -58.8024 64.7012 214.087 PRESSAVG: 4905600 -81.3371 -3.98218 -16.6656 -3.98225 83.0176 41.2261 -16.6655 41.2261 0.108595 GPRESSAVG: 4905600 -81.6415 -5.13418 -17.6405 -0.492285 83.1255 42.5514 -16.1103 38.5096 0.390015 TIMING: 4905600 CPU: 15552.8, 0.00311127/step Wall: 15552.8, 0.00311127/step, 0.0815844 hours remaining, 241.523438 MB of memory in use. ENERGY: 4905600 3997.1354 20659.8663 14428.9094 249.8762 -203190.4124 2567.3736 0.0000 0.0000 51730.5423 -109556.7093 297.2961 -161287.2516 -109203.6095 299.1332 -62.7044 -32.6357 762377.4011 0.5964 0.6247 PRESSURE: 4905800 -269.283 142.707 1.16814 142.706 -310.614 -153.173 1.16708 -153.172 380.511 GPRESSURE: 4905800 -154.893 173.367 -15.2724 -6.97423 -265.414 -22.8009 169.645 -162.583 306.798 PRESSAVG: 4905800 -19.2617 -17.7764 25.438 -17.7764 1.96904 16.9858 25.4379 16.9858 -9.63054 GPRESSAVG: 4905800 -20.7929 -18.6203 27.1565 -18.7799 2.84516 17.4698 24.7503 16.9725 -9.47702 TIMING: 4905800 CPU: 15553.4, 0.00312027/step Wall: 15553.4, 0.00312027/step, 0.081647 hours remaining, 241.523438 MB of memory in use. ENERGY: 4905800 3898.5423 20772.1787 14478.4613 247.3241 -203243.0312 2344.0671 0.0000 0.0000 51877.5316 -109624.9261 298.1409 -161502.4577 -109266.1921 299.1501 -66.4620 -37.8364 760631.9033 -8.9744 -9.1416 PRESSURE: 4906000 -81.0944 194.967 -215.052 194.967 155.107 -197.781 -215.052 -197.781 -37.6824 GPRESSURE: 4906000 -51.9384 99.2709 -173.312 97.82 126.367 -151.932 -227.069 -188.761 51.2177 PRESSAVG: 4906000 -34.0034 32.659 1.65822 32.659 21.7716 35.1155 1.65821 35.1155 5.10615 GPRESSAVG: 4906000 -32.5057 31.0461 0.185807 31.8978 20.2263 34.94 2.53188 34.817 4.80621 TIMING: 4906000 CPU: 15554, 0.00310821/step Wall: 15554, 0.00310821/step, 0.0811587 hours remaining, 241.523438 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: 4906000 3973.3554 20579.9489 14390.2125 238.3401 -203222.7197 2507.0927 0.0000 0.0000 51907.0016 -109626.7686 298.3103 -161533.7701 -109276.6663 298.9535 12.1102 41.8820 762787.2318 -2.3752 -2.4910 PRESSURE: 4906200 -216.088 -137.667 -143.964 -137.667 10.0493 41.4736 -143.964 41.4748 98.2215 GPRESSURE: 4906200 -105.894 -238.725 -196.657 10.1181 -80.8391 -2.19123 -32.7079 73.3741 171.754 PRESSAVG: 4906200 -27.3173 -1.57891 -37.309 -1.5789 -12.6834 53.1153 -37.309 53.1154 6.85229 GPRESSAVG: 4906200 -28.3014 -0.541335 -36.4 -2.53838 -12.8545 52.159 -36.2225 54.3689 8.18781 TIMING: 4906200 CPU: 15554.6, 0.00314058/step Wall: 15554.6, 0.00314058/step, 0.0818295 hours remaining, 241.523438 MB of memory in use. ENERGY: 4906200 3956.1956 20446.7764 14434.6992 246.6648 -203219.3453 2522.8336 0.0000 0.0000 51961.3877 -109650.7880 298.6228 -161612.1757 -109285.7445 298.7127 -35.9392 -4.9930 761180.3925 -11.0495 -10.9894 PRESSURE: 4906400 -198.711 -126.352 177.717 -126.352 -44.2907 -94.8939 177.716 -94.8932 -130.204 GPRESSURE: 4906400 -154.737 -13.1745 158.031 -190.752 -12.2394 -108.855 102.78 -97.2578 -112.901 PRESSAVG: 4906400 -21.5155 -21.6944 32.6347 -21.6944 30.363 26.7881 32.6347 26.788 -13.6951 GPRESSAVG: 4906400 -20.0441 -19.4131 33.9277 -20.6259 30.3292 27.1376 30.7821 24.657 -15.0876 TIMING: 4906400 CPU: 15555.3, 0.00313297/step Wall: 15555.3, 0.00313297/step, 0.0814572 hours remaining, 241.523438 MB of memory in use. ENERGY: 4906400 4056.6819 20561.3197 14440.3129 259.9246 -203114.1016 2360.4733 0.0000 0.0000 51782.8961 -109652.4931 297.5970 -161435.3892 -109310.7195 299.3444 -124.4018 -93.2926 759469.4161 -1.6158 -1.6008 PRESSURE: 4906600 48.2461 76.9913 59.6309 76.9922 -296.235 -0.522567 59.631 -0.522147 86.0807 GPRESSURE: 4906600 73.2619 -82.0359 5.83944 167.524 -215.294 -51.1764 72.2118 23.0488 72.3368 PRESSAVG: 4906600 23.8751 -17.4641 22.983 -17.4641 1.03265 23.166 22.983 23.1661 8.60686 GPRESSAVG: 4906600 22.3582 -19.3157 22.5871 -17.5749 1.71473 23.4325 23.096 25.4699 9.37009 TIMING: 4906600 CPU: 15555.9, 0.00313751/step Wall: 15555.9, 0.00313751/step, 0.0814009 hours remaining, 241.523438 MB of memory in use. ENERGY: 4906600 4020.7542 20436.6045 14517.7322 255.2056 -203336.9854 2528.2987 0.0000 0.0000 51727.7814 -109850.6088 297.2803 -161578.3901 -109489.4503 298.8121 -53.9695 -23.2317 760071.1414 11.1715 11.1477 PRESSURE: 4906800 285.689 -187.614 231.442 -187.614 -195.978 32.5859 231.442 32.5857 -389.217 GPRESSURE: 4906800 203.012 -101.307 174.659 -275.604 -124.219 -7.28327 201.853 153.564 -290.042 PRESSAVG: 4906800 -24.6378 -24.2367 47.2866 -24.2367 -9.28088 -14.7196 47.2866 -14.7196 -14.3957 GPRESSAVG: 4906800 -24.7423 -22.606 48.0877 -25.6677 -8.84849 -15.3303 45.6236 -14.1972 -14.9288 TIMING: 4906800 CPU: 15556.5, 0.00312672/step Wall: 15556.5, 0.00312672/step, 0.0809474 hours remaining, 241.523438 MB of memory in use. ENERGY: 4906800 3962.4057 20415.3855 14429.6755 255.7979 -203378.8656 2506.1891 0.0000 0.0000 52123.3376 -109686.0744 299.5535 -161809.4120 -109335.7219 298.9430 -99.8354 -70.4162 759623.5748 -16.1048 -16.1732 PRESSURE: 4907000 -557.02 6.45399 -246.466 6.45413 -24.3745 125.692 -246.466 125.692 -524.631 GPRESSURE: 4907000 -414.5 -18.0742 -304.481 -47.2098 -69.2087 217.443 -79.4541 -15.2169 -540.066 PRESSAVG: 4907000 -32.1246 -50.863 3.18237 -50.8629 51.0488 54.9104 3.18235 54.9104 16.6676 GPRESSAVG: 4907000 -31.4013 -52.6571 -0.409834 -50.257 49.5998 56.3115 5.91513 51.8799 16.8161 TIMING: 4907000 CPU: 15557.1, 0.00314367/step Wall: 15557.1, 0.00314367/step, 0.0812116 hours remaining, 241.523438 MB of memory in use. ENERGY: 4907000 4023.5048 20471.3399 14384.2589 229.0412 -203227.9783 2263.3272 0.0000 0.0000 52198.2257 -109658.2806 299.9839 -161856.5063 -109291.6956 299.1094 -368.6752 -341.2582 761295.5435 11.8639 11.6715 PRESSURE: 4907200 176.477 -99.3258 337.094 -99.3262 28.4444 -57.7918 337.093 -57.7926 -380.047 GPRESSURE: 4907200 296.55 -26.5414 342.918 -66.6461 -79.9974 17.2305 243.976 -93.318 -302.687 PRESSAVG: 4907200 -6.18519 -46.6725 32.4743 -46.6724 36.546 39.8107 32.4743 39.8106 -14.7068 GPRESSAVG: 4907200 -6.10475 -47.2964 34.5212 -46.3737 36.2047 38.3036 31.3052 41.35 -14.7022 TIMING: 4907200 CPU: 15557.8, 0.00312632/step Wall: 15557.8, 0.00312632/step, 0.0805897 hours remaining, 241.523438 MB of memory in use. ENERGY: 4907200 3984.8856 20351.5228 14433.7552 239.0821 -203319.2522 2575.6689 0.0000 0.0000 52044.1457 -109690.1921 299.0984 -161734.3378 -109323.9726 299.2327 -58.3750 -28.7117 760983.6812 5.2180 5.1326 PRESSURE: 4907400 -93.7211 -169.375 281.94 -169.374 91.9569 158.949 281.939 158.949 -43.068 GPRESSURE: 4907400 -30.4891 -186.177 213.433 -216.048 169.987 150.116 326.083 200.563 -94.7325 PRESSAVG: 4907400 -11.2777 -47.0932 1.83143 -47.0932 7.88803 24.2547 1.83137 24.2547 -1.73777 GPRESSAVG: 4907400 -11.4338 -44.9648 2.62614 -47.9586 10.0802 25.0851 1.37586 25.5081 -3.40651 TIMING: 4907400 CPU: 15558.4, 0.0031203/step Wall: 15558.4, 0.0031203/step, 0.080261 hours remaining, 241.523438 MB of memory in use. ENERGY: 4907400 3978.1668 20442.6520 14402.8671 253.2631 -203408.5401 2593.5797 0.0000 0.0000 51729.4659 -110008.5456 297.2900 -161738.0115 -109636.4112 298.5415 -14.9441 14.9218 761912.5533 -1.7092 -1.5867 PRESSURE: 4907600 -172.756 -128.137 90.0916 -128.138 -275.801 32.2503 90.0915 32.2508 55.8566 GPRESSURE: 4907600 -129.72 -0.3697 71.6815 8.58544 -232.745 48.1669 5.27211 38.9607 38.5387 PRESSAVG: 4907600 20.896 28.321 -18.2074 28.321 5.34163 68.4992 -18.2074 68.4994 0.413648 GPRESSAVG: 4907600 20.901 26.124 -20.4817 28.0425 5.49157 68.0272 -19.7226 66.8885 0.962088 TIMING: 4907600 CPU: 15559, 0.00312107/step Wall: 15559, 0.00312107/step, 0.0801075 hours remaining, 241.523438 MB of memory in use. ENERGY: 4907600 3937.1837 20362.7539 14371.7037 230.3233 -203465.5358 2553.5002 0.0000 0.0000 51851.4376 -110158.6334 297.9909 -162010.0710 -109795.1050 297.9403 -130.9003 -107.9754 761321.1273 8.8837 9.1182 PRESSURE: 4907800 11.392 35.7356 216.781 35.7354 -101.889 -110.057 216.78 -110.058 265.769 GPRESSURE: 4907800 78.1051 16.2686 242.586 20.7901 -66.6612 -149.888 113.993 -118.595 257.995 PRESSAVG: 4907800 -6.78616 6.5104 -12.7766 6.51035 43.7977 42.8796 -12.7766 42.8795 2.12497 GPRESSAVG: 4907800 -7.39292 6.68045 -11.9098 5.91694 43.603 41.4186 -10.3501 43.0301 2.48957 TIMING: 4907800 CPU: 15559.6, 0.00311763/step Wall: 15559.6, 0.00311763/step, 0.0798459 hours remaining, 241.523438 MB of memory in use. ENERGY: 4907800 3920.0975 20310.1409 14380.4359 285.6451 -203664.8630 2632.7312 0.0000 0.0000 51933.5019 -110202.3106 298.4625 -162135.8125 -109851.7900 297.8894 58.4240 89.8130 759446.5975 13.0455 12.8999 PRESSURE: 4908000 194.41 83.8707 114.086 83.8708 -176.771 163.501 114.086 163.501 -323.164 GPRESSURE: 4908000 250.889 33.0362 92.743 70.9185 -149.113 131.376 138.434 90.8892 -329.76 PRESSAVG: 4908000 24.5092 29.5523 24.1434 29.5523 10.9448 -10.2149 24.1433 -10.2148 23.9545 GPRESSAVG: 4908000 25.1736 28.7793 23.9989 29.8087 10.5406 -8.31716 22.7784 -10.4204 23.6848 TIMING: 4908000 CPU: 15560.3, 0.0031313/step Wall: 15560.3, 0.0031313/step, 0.0800222 hours remaining, 241.523438 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: 4908000 3913.7543 20310.2403 14391.4102 270.4332 -203279.7290 2430.9096 0.0000 0.0000 51899.6946 -110063.2868 298.2683 -161962.9814 -109693.4922 298.0397 -101.8417 -75.9944 760242.5362 19.8028 19.7996 PRESSURE: 4908200 35.2357 -124.354 -121.081 -124.355 172.431 215.82 -121.081 215.82 -174.447 GPRESSURE: 4908200 4.0612 -90.2507 -155.041 -44.3183 251.521 177.998 -14.2693 236.543 -131.39 PRESSAVG: 4908200 -57.5774 5.50542 5.55859 5.50544 8.53242 42.7926 5.55859 42.7925 3.32206 GPRESSAVG: 4908200 -57.5076 8.14357 7.33616 6.65553 8.41611 40.9228 5.94343 43.1894 3.17388 TIMING: 4908200 CPU: 15560.9, 0.00312347/step Wall: 15560.9, 0.00312347/step, 0.0796484 hours remaining, 241.523438 MB of memory in use. ENERGY: 4908200 4020.1076 20342.2514 14400.8734 248.3246 -203830.9278 2616.7816 0.0000 0.0000 52156.7779 -110045.8112 299.7457 -162202.5892 -109683.9413 298.2106 11.0731 41.3976 760525.2362 -15.2410 -15.3059 LDB: ============= START OF LOAD BALANCING ============== 15573.3 LDB: ============== END OF LOAD BALANCING =============== 15573.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15573.3 LDB: ============= START OF LOAD BALANCING ============== 15573.6 LDB: Largest compute 7045 load 0.033725 is 17.3% of average load 0.195486 LDB: Average compute 0.004390 is 2.2% of average load 0.195486 LDB: TIME 15573.7 LOAD: AVG 0.195486 MAX 0.21607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.625 MB LDB: TIME 15573.7 LOAD: AVG 0.195486 MAX 0.21607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.625 MB LDB: TIME 15573.7 LOAD: AVG 0.195486 MAX 0.21607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.625 MB LDB: ============== END OF LOAD BALANCING =============== 15573.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15573.7 PRESSURE: 4908400 -77.5292 -32.4197 -0.120756 -32.4197 -308.029 72.0731 -0.120082 72.0734 -184.853 GPRESSURE: 4908400 -33.5112 23.5469 -81.3741 65.9152 -236.321 106.327 40.6285 214.513 -206.816 PRESSAVG: 4908400 53.5316 -6.22831 -20.9376 -6.22831 -6.13296 91.1064 -20.9376 91.1064 5.54874 GPRESSAVG: 4908400 53.2272 -7.22712 -23.4195 -6.00853 -6.4845 91.5561 -19.3075 92.2044 6.50931 TIMING: 4908400 CPU: 15561.5, 0.00318616/step Wall: 15561.5, 0.00318617/step, 0.0810702 hours remaining, 240.550781 MB of memory in use. ENERGY: 4908400 3895.8120 20380.3916 14396.8455 246.2840 -203214.3913 2302.9534 0.0000 0.0000 51890.6012 -110101.5037 298.2160 -161992.1048 -109735.6194 298.1826 -190.1371 -158.8829 761415.9663 17.6491 17.7507 PRESSURE: 4908600 190.769 22.6707 78.098 22.6709 189.511 -73.7093 78.0989 -73.7095 197.356 GPRESSURE: 4908600 250.832 100.692 63.4334 93.3541 231.832 -128.799 74.9834 -28.6251 191.391 PRESSAVG: 4908600 50.0979 65.4964 -18.1578 65.4963 -75.6223 6.14934 -18.1578 6.14931 8.69145 GPRESSAVG: 4908600 48.9699 65.9176 -17.5759 63.5777 -73.4468 6.45094 -19.0864 6.79156 7.43869 TIMING: 4908600 CPU: 15562.1, 0.00311857/step Wall: 15562.1, 0.00311857/step, 0.0791769 hours remaining, 240.550781 MB of memory in use. ENERGY: 4908600 3917.4667 20296.7984 14373.5271 247.0632 -203628.6601 2791.3410 0.0000 0.0000 52015.3869 -109987.0768 298.9331 -162002.4637 -109628.2602 298.1295 192.5452 224.6850 761081.4262 -5.6110 -5.6794 PRESSURE: 4908800 -92.0552 35.8308 -121.064 35.8305 -193.714 19.9442 -121.063 19.9433 -216.037 GPRESSURE: 4908800 -80.1017 -47.5868 -116.053 61.9412 -179.803 63.9001 -39.6043 -103.406 -155.078 PRESSAVG: 4908800 34.9634 18.0387 34.1766 18.0387 -42.476 64.2102 34.1766 64.2102 -6.71574 GPRESSAVG: 4908800 35.0263 19.038 35.2738 17.9785 -44.6993 65.03 32.4017 64.1897 -5.1781 TIMING: 4908800 CPU: 15562.8, 0.0031382/step Wall: 15562.8, 0.0031382/step, 0.079501 hours remaining, 240.550781 MB of memory in use. ENERGY: 4908800 3962.2175 20520.8475 14421.1905 236.1088 -203307.3493 2456.6528 0.0000 0.0000 51994.4976 -109715.8346 298.8131 -161710.3322 -109356.8501 298.1809 -167.2685 -138.3276 760809.9318 -4.7428 -4.9503 PRESSURE: 4909000 24.7626 -9.84742 -217.258 -9.84748 88.6638 73.626 -217.258 73.6261 141.878 GPRESSURE: 4909000 138.638 -50.1654 -321.311 -2.16776 158.356 89.5911 -32.0345 7.91677 47.5383 PRESSAVG: 4909000 10.9007 -16.6021 23.3862 -16.6022 -49.4229 31.3562 23.3862 31.3562 3.33421 GPRESSAVG: 4909000 11.7788 -15.168 23.078 -15.064 -47.9545 30.7232 23.8659 30.405 1.36274 TIMING: 4909000 CPU: 15563.4, 0.00313898/step Wall: 15563.4, 0.00313898/step, 0.0793465 hours remaining, 240.550781 MB of memory in use. ENERGY: 4909000 3936.5972 20281.3793 14408.6781 263.7208 -203154.5252 2567.5957 0.0000 0.0000 51859.7271 -109836.8270 298.0386 -161696.5541 -109480.9919 298.3228 85.1015 114.8440 761584.8642 -11.7293 -11.6043 PRESSURE: 4909200 110.628 197.38 -212.823 197.38 -137.656 -40.8465 -212.823 -40.8473 -221.394 GPRESSURE: 4909200 78.6202 56.3866 -102.766 159.902 -146.352 -13.7322 -172.744 42.7897 -105.151 PRESSAVG: 4909200 40.9792 23.1873 18.1705 23.1873 -19.318 -51.8226 18.1705 -51.8226 1.83623 GPRESSAVG: 4909200 39.7353 21.3477 16.8966 21.8678 -19.1828 -51.6144 18.3262 -52.8377 2.38988 TIMING: 4909200 CPU: 15564, 0.00310784/step Wall: 15564, 0.00310784/step, 0.0783865 hours remaining, 240.550781 MB of memory in use. ENERGY: 4909200 3872.0304 20474.8469 14430.0993 236.7699 -203033.2398 2467.6287 0.0000 0.0000 51774.0011 -109777.8635 297.5459 -161551.8646 -109424.4069 298.1781 -82.8074 -57.6278 763119.3038 7.8325 7.6475 PRESSURE: 4909400 -284.355 -202.24 220.439 -202.24 -158.2 2.39249 220.44 2.39222 -183.853 GPRESSURE: 4909400 -244.935 -140.763 199.764 -256.005 -142.766 94.5668 295.07 -2.5186 -171.819 PRESSAVG: 4909400 40.0475 3.54985 1.67806 3.54985 -48.7943 -2.20316 1.67803 -2.20322 9.22729 GPRESSAVG: 4909400 39.9099 2.79111 3.50673 4.31503 -50.142 -0.998247 2.70538 -3.56065 10.4572 TIMING: 4909400 CPU: 15564.6, 0.00313222/step Wall: 15564.6, 0.00313222/step, 0.0788275 hours remaining, 240.550781 MB of memory in use. ENERGY: 4909400 3950.9780 20521.4966 14432.7662 249.6694 -203142.3401 2201.2876 0.0000 0.0000 51964.6189 -109821.5234 298.6414 -161786.1423 -109473.5387 297.8180 -208.8029 -186.5068 760665.2553 0.1602 0.0750 PRESSURE: 4909600 219.95 222.069 88.9544 222.069 105.047 49.775 88.9551 49.7757 20.5459 GPRESSURE: 4909600 272.372 121.588 186.666 230.129 169.954 125.205 229.662 -7.84188 -11.5483 PRESSAVG: 4909600 11.2253 -26.6449 28.9717 -26.645 -9.24816 25.8408 28.9717 25.8408 2.60952 GPRESSAVG: 4909600 12.2918 -25.7072 28.8158 -26.0801 -8.82354 24.2411 27.9793 28.4969 1.797 TIMING: 4909600 CPU: 15565.3, 0.00311941/step Wall: 15565.3, 0.00311941/step, 0.0783319 hours remaining, 240.550781 MB of memory in use. ENERGY: 4909600 3997.1965 20395.2909 14446.8657 249.7877 -203227.6813 2366.7675 0.0000 0.0000 51932.2031 -109839.5700 298.4551 -161771.7730 -109488.1322 298.3974 115.1808 143.5925 758882.7173 1.5289 1.7551 PRESSURE: 4909800 -173.51 -131.23 -240.016 -131.229 -71.696 126.49 -240.016 126.491 -632.86 GPRESSURE: 4909800 -29.8829 -97.6384 -233.939 -81.0695 -113.821 90.0405 1.66603 40.0126 -647.295 PRESSAVG: 4909800 -22.3014 -50.3668 9.15907 -50.3669 48.7604 5.90386 9.15907 5.90386 -30.2191 GPRESSAVG: 4909800 -20.4507 -50.9175 7.69805 -50.6321 47.636 5.99248 12.086 5.89019 -30.6727 TIMING: 4909800 CPU: 15565.9, 0.00311545/step Wall: 15565.9, 0.00311545/step, 0.0780594 hours remaining, 240.550781 MB of memory in use. ENERGY: 4909800 4018.0208 20347.0555 14458.6160 241.1038 -202960.0829 2156.6733 0.0000 0.0000 51815.4814 -109923.1321 297.7843 -161738.6135 -109579.6366 298.5327 -292.6887 -263.6664 759053.9051 -1.2533 -1.1625 PRESSURE: 4910000 -332.047 -259.385 60.2538 -259.385 -339.226 45.9194 60.2532 45.9205 -35.4295 GPRESSURE: 4910000 -286.006 -233.513 15.8933 -310.885 -353.654 15.2458 -49.6806 5.98383 -1.90367 PRESSAVG: 4910000 -30.7977 -62.8163 25.9838 -62.8163 38.1131 10.9096 25.9838 10.9096 17.4508 GPRESSAVG: 4910000 -31.5985 -62.052 27.906 -63.4433 37.6081 11.7736 23.0993 10.6927 18.0549 TIMING: 4910000 CPU: 15566.5, 0.00311525/step Wall: 15566.5, 0.00311525/step, 0.0778813 hours remaining, 240.550781 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: 4910000 3966.2326 20549.0234 14439.7119 245.0727 -203555.5391 2207.6392 0.0000 0.0000 52092.7776 -110055.0816 299.3779 -162147.8592 -109684.1166 298.5486 -235.5677 -213.8545 760309.9431 8.2554 8.0215 PRESSURE: 4910200 49.5804 -49.5139 -72.7431 -49.5133 119.625 31.336 -72.7427 31.3368 364.485 GPRESSURE: 4910200 101.383 -131.891 0.677286 -111.16 179.228 -10.4146 -42.4693 -15.1843 349.988 PRESSAVG: 4910200 -11.7397 -74.0244 26.8241 -74.0244 8.77944 34.3104 26.8242 34.3104 19.9976 GPRESSAVG: 4910200 -12.8774 -73.5536 26.2521 -73.4477 9.46363 32.4628 26.0562 34.6326 21.0059 TIMING: 4910200 CPU: 15567.1, 0.00310595/step Wall: 15567.1, 0.00310595/step, 0.0774762 hours remaining, 240.550781 MB of memory in use. ENERGY: 4910200 3953.3804 20354.4700 14431.2215 244.6767 -203569.7232 2649.7128 0.0000 0.0000 51897.3198 -110038.9421 298.2546 -161936.2619 -109681.0908 298.3815 177.8968 210.1996 759556.7752 5.6791 5.8640 PRESSURE: 4910400 -262.931 1.80561 16.3835 1.80635 18.521 111.339 16.3841 111.339 -42.4042 GPRESSURE: 4910400 -151.859 72.3376 -80.8944 -39.1162 13.2069 149.063 -91.1087 42.3075 -48.1538 PRESSAVG: 4910400 -42.7892 -19.9882 -2.08525 -19.9881 53.5025 41.0336 -2.08522 41.0337 -12.2641 GPRESSAVG: 4910400 -41.7084 -20.8266 -3.04612 -21.4405 52.2013 40.9284 -0.783355 42.0225 -12.5437 TIMING: 4910400 CPU: 15567.8, 0.00312368/step Wall: 15567.8, 0.00312368/step, 0.077745 hours remaining, 240.550781 MB of memory in use. ENERGY: 4910400 3965.8290 20466.3731 14479.0860 226.9268 -203602.3001 2550.4645 0.0000 0.0000 51814.5094 -110099.1113 297.7787 -161913.6207 -109738.5628 298.8411 -95.6047 -62.2685 760021.2052 -0.5169 -0.6836 PRESSURE: 4910600 78.453 -127.132 97.1694 -127.132 -26.7011 -117.055 97.1692 -117.055 215.367 GPRESSURE: 4910600 132.921 -44.0008 -24.0903 -33.7988 -61.6148 -71.4788 231.534 -44.6325 274.013 PRESSAVG: 4910600 30.346 -18.9778 -5.98558 -18.9778 -20.5424 37.0765 -5.98551 37.0765 -0.277992 GPRESSAVG: 4910600 29.9381 -18.1003 -6.15014 -18.1304 -20.5824 40.5846 -5.77205 34.7488 -0.508901 TIMING: 4910600 CPU: 15568.4, 0.00313012/step Wall: 15568.4, 0.00313012/step, 0.0777313 hours remaining, 240.550781 MB of memory in use. ENERGY: 4910600 3979.3425 20362.8335 14435.8636 247.5197 -203751.2232 2758.3721 0.0000 0.0000 51825.7386 -110141.5532 297.8432 -161967.2918 -109787.8325 297.9356 89.0395 115.1063 759413.2141 3.1752 2.9489 PRESSURE: 4910800 -270.381 -91.7017 102.008 -91.7016 -175.422 104.875 102.008 104.874 -283.357 GPRESSURE: 4910800 -326.043 -108.214 157.734 -144.499 -95.1104 77.3583 120.077 138.746 -238.217 PRESSAVG: 4910800 -12.517 16.7766 8.25053 16.7765 11.6294 -2.92106 8.25059 -2.9211 24.535 GPRESSAVG: 4910800 -13.4569 16.2769 8.85786 17.5721 12.883 -5.60952 10.0765 -0.808193 24.237 TIMING: 4910800 CPU: 15569, 0.00312926/step Wall: 15569, 0.00312926/step, 0.0775361 hours remaining, 240.550781 MB of memory in use. ENERGY: 4910800 4032.4161 20454.7402 14417.5215 247.9188 -203391.2508 2405.7571 0.0000 0.0000 51722.5650 -110110.3321 297.2503 -161832.8971 -109759.1110 298.0810 -243.0533 -219.7899 759554.9101 7.8825 7.8877 PRESSURE: 4911000 128.881 111.866 -166.806 111.867 269.869 -87.1526 -166.806 -87.1518 172.286 GPRESSURE: 4911000 156.153 141.408 -280.223 -84.3639 260.335 -87.2749 -201.629 -86.4783 240.094 PRESSAVG: 4911000 1.46177 -7.27775 2.87821 -7.27772 8.80551 40.3679 2.87821 40.368 15.0555 GPRESSAVG: 4911000 2.00686 -6.82771 1.88503 -9.48656 8.16305 41.7941 -0.435328 39.1955 15.0457 TIMING: 4911000 CPU: 15569.6, 0.00313736/step Wall: 15569.6, 0.00313736/step, 0.0775625 hours remaining, 240.550781 MB of memory in use. ENERGY: 4911000 3886.6478 20433.3705 14367.4813 243.4919 -203426.1441 2622.6023 0.0000 0.0000 51916.5678 -109955.9824 298.3652 -161872.5502 -109597.2620 298.3454 190.3453 218.8605 761483.6342 8.4409 8.4052 PRESSURE: 4911200 -86.9481 -93.8533 141.061 -93.8536 -96.4071 2.04799 141.061 2.04776 -121.097 GPRESSURE: 4911200 -61.6224 -103.607 146.461 -71.2658 -38.9384 31.9534 54.994 -39.6408 -106.356 PRESSAVG: 4911200 -24.3673 31.2972 58.8606 31.2973 19.4915 -9.92785 58.8607 -9.92782 -41.742 GPRESSAVG: 4911200 -23.0237 29.7986 59.4581 34.4932 18.3576 -9.94644 61.1639 -8.50384 -42.3072 TIMING: 4911200 CPU: 15570.3, 0.00311158/step Wall: 15570.3, 0.00311158/step, 0.0767523 hours remaining, 240.550781 MB of memory in use. ENERGY: 4911200 3940.9399 20449.4886 14424.4649 245.9041 -203433.5574 2513.2361 0.0000 0.0000 51884.7770 -109974.7467 298.1825 -161859.5237 -109604.6242 298.3671 -101.4840 -68.9722 761187.1972 -15.5392 -15.6578 PRESSURE: 4911400 -170.972 -11.1394 37.2708 -11.14 -136.747 -155.499 37.2703 -155.499 -508.599 GPRESSURE: 4911400 -163.398 -43.2009 11.5027 -103.265 -38.3151 -198.552 144.971 -143.164 -521.046 PRESSAVG: 4911400 -46.6879 -14.9916 55.1802 -14.9915 37.9502 11.5794 55.1802 11.5794 -13.9373 GPRESSAVG: 4911400 -47.5637 -13.0444 54.9695 -17.6572 38.203 11.5067 54.7615 10.5217 -13.25 TIMING: 4911400 CPU: 15570.9, 0.00312356/step Wall: 15570.9, 0.00312356/step, 0.0768742 hours remaining, 240.550781 MB of memory in use. ENERGY: 4911400 4030.0595 20405.8920 14402.0037 271.2708 -203437.3266 2448.4425 0.0000 0.0000 51837.7463 -110041.9118 297.9122 -161879.6581 -109692.5711 298.1458 -272.1059 -240.9198 761361.8969 -7.5583 -7.5369 PRESSURE: 4911600 110.623 -16.5818 -137.218 -16.581 155.061 3.26401 -137.217 3.26382 227.481 GPRESSURE: 4911600 117.072 34.6234 -137.725 76.5497 258.028 -100.593 -189.058 141.83 227.27 PRESSAVG: 4911600 -17.2275 -29.5239 17.3285 -29.5239 31.8817 -12.2436 17.3285 -12.2435 11.461 GPRESSAVG: 4911600 -17.2769 -27.2176 17.8453 -29.1965 31.7596 -14.1336 16.3545 -11.8949 10.9948 TIMING: 4911600 CPU: 15571.5, 0.00313661/step Wall: 15571.5, 0.00313661/step, 0.0770212 hours remaining, 240.550781 MB of memory in use. ENERGY: 4911600 3926.6404 20400.6681 14397.7005 233.4000 -203651.6801 2677.7380 0.0000 0.0000 52011.6502 -110003.8828 298.9117 -162015.5331 -109642.7055 297.7416 164.3883 200.7899 761575.6162 8.7050 8.4925 PRESSURE: 4911800 -197.688 126.294 -138.009 126.294 -228.351 73.9903 -138.008 73.9921 120.261 GPRESSURE: 4911800 -57.9867 204.093 -146.425 161.427 -273.707 47.6257 -179.803 265.753 105.654 PRESSAVG: 4911800 40.0463 -49.0139 -6.05465 -49.0139 -80.3229 4.06846 -6.05467 4.06845 -17.6916 GPRESSAVG: 4911800 39.9344 -50.0542 -6.37607 -48.9574 -80.1005 5.67386 -5.01418 4.09408 -18.4126 TIMING: 4911800 CPU: 15572.1, 0.00313751/step Wall: 15572.1, 0.00313751/step, 0.076869 hours remaining, 240.550781 MB of memory in use. ENERGY: 4911800 3935.1062 20547.6254 14425.4890 267.7474 -203354.2602 2439.4195 0.0000 0.0000 51771.1061 -109967.7666 297.5293 -161738.8727 -109616.3720 298.3938 -101.9264 -75.3465 761801.4544 -19.3227 -19.5262 PRESSURE: 4912000 -36.218 -137.282 9.74026 -137.282 171.993 111.161 9.74085 111.16 -123.644 GPRESSURE: 4912000 -13.257 -96.6267 93.5158 -159.815 160.464 45.2743 -111.995 79.7114 -70.4212 PRESSAVG: 4912000 42.7414 -17.2951 44.9941 -17.2952 -53.8765 10.084 44.9941 10.084 18.0151 GPRESSAVG: 4912000 42.4827 -18.1899 46.2712 -16.5745 -54.0574 9.42334 43.9479 10.7766 18.7683 TIMING: 4912000 CPU: 15572.8, 0.00313584/step Wall: 15572.8, 0.00313584/step, 0.0766538 hours remaining, 240.550781 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: 4912000 3934.1759 20526.5552 14441.1659 248.1425 -203899.5610 2854.3994 0.0000 0.0000 51899.5473 -109995.5747 298.2674 -161895.1220 -109636.6972 298.4765 4.0437 25.5954 760890.8856 2.2933 2.3979 PRESSURE: 4912200 287.661 100.038 -335.692 100.039 235.869 -58.4216 -335.692 -58.4222 630.506 GPRESSURE: 4912200 356.233 67.8527 -342.404 222.098 326.465 -6.82553 -197.426 -61.4463 555.603 PRESSAVG: 4912200 7.78184 3.91514 42.4636 3.91511 -2.5523 6.67681 42.4636 6.67682 11.1648 GPRESSAVG: 4912200 7.88587 2.85944 42.218 4.32769 -2.64061 7.39963 41.3154 5.72137 11.8826 TIMING: 4912200 CPU: 15573.4, 0.00314833/step Wall: 15573.4, 0.00314833/step, 0.0767842 hours remaining, 240.550781 MB of memory in use. ENERGY: 4912200 3998.8855 20494.9427 14378.3763 249.0553 -203509.8405 2533.5825 0.0000 0.0000 51837.5651 -110017.4330 297.9112 -161854.9981 -109657.4366 298.0694 384.6785 412.7670 758339.1999 5.4648 5.7093 LDB: ============= START OF LOAD BALANCING ============== 15585.9 LDB: ============== END OF LOAD BALANCING =============== 15585.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15585.9 LDB: ============= START OF LOAD BALANCING ============== 15586.2 LDB: Largest compute 7066 load 0.031720 is 16.2% of average load 0.195545 LDB: Average compute 0.004397 is 2.2% of average load 0.195545 LDB: TIME 15586.2 LOAD: AVG 0.195545 MAX 0.218309 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.809 MB LDB: TIME 15586.2 LOAD: AVG 0.195545 MAX 0.218309 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: TIME 15586.2 LOAD: AVG 0.195545 MAX 0.214006 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.012 MB LDB: ============== END OF LOAD BALANCING =============== 15586.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15586.2 PRESSURE: 4912400 -125.629 -62.7247 185.686 -62.7241 105.374 311.405 185.685 311.406 116.403 GPRESSURE: 4912400 50.1965 -83.9246 265.167 -36.8794 15.7703 262.434 143.361 293.529 137.029 PRESSAVG: 4912400 45.79 17.954 10.8457 17.9541 -49.18 -10.3726 10.8457 -10.3725 6.02218 GPRESSAVG: 4912400 46.3904 20.3781 10.1009 15.2475 -49.0413 -10.848 11.8954 -10.1217 5.00674 TIMING: 4912400 CPU: 15574, 0.00321791/step Wall: 15574, 0.00321791/step, 0.0783024 hours remaining, 242.351562 MB of memory in use. ENERGY: 4912400 3953.9370 20411.1996 14306.2516 242.5922 -203257.8162 2229.0503 0.0000 0.0000 52003.0293 -110111.7562 298.8621 -162114.7855 -109743.1134 298.0755 32.0493 67.6652 759757.7451 0.8774 0.7853 PRESSURE: 4912600 -259.055 75.1716 -0.99805 75.1722 -360.974 47.3361 -0.997685 47.3352 -462.418 GPRESSURE: 4912600 -208.696 -20.7018 18.8363 -30.9116 -392.768 -36.1573 18.1067 -112.36 -374.658 PRESSAVG: 4912600 -15.0702 -2.61441 17.6331 -2.61443 2.2026 79.8935 17.6331 79.8935 -0.986647 GPRESSAVG: 4912600 -14.2043 -3.85162 18.5341 -1.42343 1.62311 79.9523 17.5628 78.3963 -1.11376 TIMING: 4912600 CPU: 15574.7, 0.00315842/step Wall: 15574.7, 0.00315842/step, 0.0766793 hours remaining, 242.351562 MB of memory in use. ENERGY: 4912600 4018.2926 20599.2912 14294.1348 233.4971 -203230.1589 2192.7548 0.0000 0.0000 51797.3964 -110094.7920 297.6803 -161892.1884 -109739.1849 298.0749 -360.8159 -325.3740 760700.8982 -4.6181 -4.5650 PRESSURE: 4912800 -248.121 29.7455 107.199 29.7449 -333.622 102.893 107.198 102.893 -315.27 GPRESSURE: 4912800 -183.096 162.107 18.7389 138.952 -264.919 125.708 189.166 118.874 -362.402 PRESSAVG: 4912800 -24.5821 -3.59554 -22.9955 -3.5955 1.76229 -0.110105 -22.9955 -0.110095 0.706934 GPRESSAVG: 4912800 -26.1719 -4.80603 -23.4131 -1.54507 2.99627 0.982955 -22.404 0.315638 0.626466 TIMING: 4912800 CPU: 15575.3, 0.00315503/step Wall: 15575.3, 0.00315504/step, 0.076422 hours remaining, 242.351562 MB of memory in use. ENERGY: 4912800 4084.8307 20396.6744 14374.1330 246.5911 -203302.9694 2261.3339 0.0000 0.0000 51950.0728 -109989.3335 298.5578 -161939.4062 -109630.8216 298.1840 -299.0045 -270.1393 760965.7060 -7.3710 -7.5164 PRESSURE: 4913000 -125.182 -73.3115 -133.079 -73.3107 -196.924 -167.741 -133.079 -167.741 -150.881 GPRESSURE: 4913000 -98.7961 -7.61321 -149.013 -146.255 -174.595 -182.511 -53.465 -33.079 -125.518 PRESSAVG: 4913000 4.68667 43.3841 36.4574 43.3841 -64.4163 0.88006 36.4574 0.880087 4.01578 GPRESSAVG: 4913000 5.43571 45.478 37.0678 39.9991 -64.4969 -0.789476 36.0244 3.59565 4.00355 TIMING: 4913000 CPU: 15575.9, 0.00313952/step Wall: 15575.9, 0.00313952/step, 0.0758717 hours remaining, 242.351562 MB of memory in use. ENERGY: 4913000 3976.3576 20541.7278 14375.4336 238.4645 -203539.6415 2716.1312 0.0000 0.0000 51837.3580 -109854.1686 297.9100 -161691.5267 -109498.1426 298.0665 -157.6623 -132.9695 761831.6853 -18.5713 -18.3526 PRESSURE: 4913200 -6.25223 -204.359 -194.952 -204.359 -119.511 -119.549 -194.952 -119.549 135.807 GPRESSURE: 4913200 -49.877 -200.767 -133.222 -262.27 -49.9195 -132.174 -190.582 -101.475 168.444 PRESSAVG: 4913200 2.06724 -27.3475 -8.41855 -27.3474 22.3728 -43.4203 -8.41851 -43.4203 -9.71088 GPRESSAVG: 4913200 1.9418 -28.7281 -9.3353 -24.6848 22.0871 -43.0939 -7.74675 -44.4643 -9.50788 TIMING: 4913200 CPU: 15576.6, 0.00314701/step Wall: 15576.6, 0.00314701/step, 0.075878 hours remaining, 242.351562 MB of memory in use. ENERGY: 4913200 3958.3601 20385.2549 14449.2420 251.8324 -203453.2863 2401.2684 0.0000 0.0000 52055.7051 -109951.6235 299.1649 -162007.3285 -109582.8853 298.4419 3.3479 22.8826 761141.2142 4.9097 4.8403 PRESSURE: 4913400 326.026 284.965 62.4931 284.964 190.319 -51.418 62.4932 -51.4179 19.9826 GPRESSURE: 4913400 308.397 167.756 13.3548 293.451 291.702 -23.0938 49.02 -166.76 5.45935 PRESSAVG: 4913400 8.86959 -15.8097 -21.5304 -15.8096 1.05092 -3.61785 -21.5305 -3.61794 -16.3269 GPRESSAVG: 4913400 8.14317 -16.4629 -18.9247 -16.1073 0.441964 -4.01883 -24.0547 -6.15074 -15.3389 TIMING: 4913400 CPU: 15577.2, 0.0031427/step Wall: 15577.2, 0.0031427/step, 0.0755993 hours remaining, 242.351562 MB of memory in use. ENERGY: 4913400 3941.7156 20439.0726 14465.4266 260.8430 -203440.6155 2557.2004 0.0000 0.0000 51950.0113 -109826.3461 298.5574 -161776.3574 -109459.1243 298.3828 178.7758 201.8529 760649.4890 -2.1355 -2.2513 PRESSURE: 4913600 -51.3488 16.2774 -135.841 16.2772 133.879 -273.321 -135.841 -273.323 -66.2691 GPRESSURE: 4913600 -3.43811 60.8645 -192.432 21.2998 163.095 -152.035 -194.931 -323.203 -49.8228 PRESSAVG: 4913600 -76.8972 -8.21957 -11.7629 -8.21955 82.5077 -40.8468 -11.7629 -40.8469 3.64515 GPRESSAVG: 4913600 -77.0553 -6.9276 -13.0621 -7.76576 82.3964 -39.2892 -8.58525 -38.437 4.04573 TIMING: 4913600 CPU: 15577.8, 0.00312674/step Wall: 15577.8, 0.00312674/step, 0.0750417 hours remaining, 242.351562 MB of memory in use. ENERGY: 4913600 3944.4716 20362.6661 14440.6845 242.1113 -203173.0913 2294.6201 0.0000 0.0000 51906.3983 -109982.1395 298.3068 -161888.5378 -109610.4072 298.5998 5.4202 36.6114 761866.1126 3.0852 3.1289 PRESSURE: 4913800 -465.463 -14.6878 56.4075 -14.6883 38.5074 -115.615 56.4073 -115.614 125.036 GPRESSURE: 4913800 -286.027 -35.9024 -13.8618 53.3601 -88.6407 -117.809 14.764 -74.1004 154.364 PRESSAVG: 4913800 -28.6593 -19.2564 5.11786 -19.2564 66.3186 -4.29444 5.11785 -4.29445 31.2535 GPRESSAVG: 4913800 -28.8873 -19.4261 3.85812 -21.1033 67.7882 -5.36057 4.05762 -3.82887 29.4616 TIMING: 4913800 CPU: 15578.4, 0.00314082/step Wall: 15578.4, 0.00314082/step, 0.0752053 hours remaining, 242.351562 MB of memory in use. ENERGY: 4913800 3968.6377 20461.0754 14445.4205 250.4648 -203539.5270 2380.8889 0.0000 0.0000 51983.0459 -110049.9938 298.7473 -162033.0397 -109688.6374 298.3980 -100.6399 -73.4345 759408.3021 22.9709 22.7875 PRESSURE: 4914000 234.752 160.067 -83.8668 160.067 63.7174 259.084 -83.8674 259.084 236.222 GPRESSURE: 4914000 349.922 56.3752 -38.0502 149.179 92.7411 230.686 -23.4437 195.861 189.386 PRESSAVG: 4914000 -12.7929 -24.2243 23.1443 -24.2242 41.7058 -28.9381 23.1443 -28.9381 5.18087 GPRESSAVG: 4914000 -11.9565 -25.5805 23.0674 -23.3738 39.5934 -28.6853 24.4058 -29.9643 6.38361 TIMING: 4914000 CPU: 15579.1, 0.00313956/step Wall: 15579.1, 0.00313956/step, 0.0750005 hours remaining, 242.351562 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: 4914000 3935.4195 20462.0069 14457.7974 232.1523 -203442.2730 2447.3552 0.0000 0.0000 51714.5875 -110192.9542 297.2044 -161907.5417 -109833.2342 298.2418 178.2303 210.6828 759876.8095 11.3646 11.3402 PRESSURE: 4914200 -56.8564 66.4999 -89.3616 66.5002 123.479 -265.766 -89.3621 -265.766 51.6524 GPRESSURE: 4914200 -25.3096 48.1202 -112.152 -99.2867 190.524 -273.702 10.7413 -215.921 29.7418 PRESSAVG: 4914200 -21.6379 -30.5967 9.33748 -30.5967 3.32118 -8.32494 9.33736 -8.32491 0.662027 GPRESSAVG: 4914200 -22.6707 -29.9682 8.41395 -29.5873 4.39522 -8.7752 8.81506 -8.08929 0.223764 TIMING: 4914200 CPU: 15579.7, 0.00313801/step Wall: 15579.7, 0.00313801/step, 0.0747894 hours remaining, 242.351562 MB of memory in use. ENERGY: 4914200 3909.5219 20650.1297 14452.3245 239.0753 -204066.7489 2773.1408 0.0000 0.0000 52015.7246 -110026.8322 298.9351 -162042.5568 -109666.1233 298.0045 39.4250 64.9855 758292.4221 -5.8849 -6.0173 PRESSURE: 4914400 -287.529 28.3637 -20.0598 28.3644 -95.5815 4.86248 -20.0598 4.86164 161.493 GPRESSURE: 4914400 -249.943 86.4188 34.7105 28.4405 11.0183 23.9636 53.4324 -27.8648 109.446 PRESSAVG: 4914400 -69.1135 -26.1905 12.8343 -26.1904 28.9987 -22.3111 12.8342 -22.3111 -24.6964 GPRESSAVG: 4914400 -69.4517 -25.3577 13.6975 -28.6983 29.5158 -20.6683 13.3909 -22.5755 -24.9928 TIMING: 4914400 CPU: 15580.3, 0.00313505/step Wall: 15580.3, 0.00313505/step, 0.0745445 hours remaining, 242.351562 MB of memory in use. ENERGY: 4914400 4045.5113 20373.9990 14380.2632 259.7074 -203620.3735 2597.5630 0.0000 0.0000 51897.8605 -110065.4691 298.2577 -161963.3296 -109697.8769 298.6602 -73.8727 -43.1595 760228.2882 -21.6037 -21.6429 PRESSURE: 4914600 120.469 -41.638 86.8218 -41.6376 213.097 -142.16 86.8208 -142.159 65.0026 GPRESSURE: 4914600 208.568 -59.371 33.4479 -53.0258 199.55 -65.1158 123.923 -126.843 86.2386 PRESSAVG: 4914600 24.2819 -24.1449 -22.3032 -24.1448 -4.28416 -35.8425 -22.3033 -35.8424 11.912 GPRESSAVG: 4914600 24.6068 -23.9673 -23.6996 -24.3175 -3.98459 -37.5764 -21.354 -34.3729 11.2113 TIMING: 4914600 CPU: 15581, 0.00316411/step Wall: 15581, 0.00316411/step, 0.0750597 hours remaining, 242.351562 MB of memory in use. ENERGY: 4914600 3910.8221 20635.5612 14429.5509 233.2245 -204006.9296 2934.5206 0.0000 0.0000 52130.4032 -109732.8472 299.5941 -161863.2504 -109376.1193 298.8717 132.8562 164.7856 760178.2114 10.6366 10.6112 PRESSURE: 4914800 -94.0061 -174.805 55.7276 -174.805 -56.5254 -47.1688 55.7271 -47.1693 24.3607 GPRESSURE: 4914800 -32.0653 -109.547 87.1286 -216.329 -42.8036 -30.5332 63.6896 -68.4909 33.4397 PRESSAVG: 4914800 0.854309 -72.2866 -10.857 -72.2866 18.2922 -12.2723 -10.857 -12.2722 3.02108 GPRESSAVG: 4914800 0.0311407 -72.4334 -11.1307 -71.584 17.6971 -11.6903 -10.6585 -13.9584 4.58 TIMING: 4914800 CPU: 15581.6, 0.00314742/step Wall: 15581.6, 0.00314742/step, 0.074489 hours remaining, 242.351562 MB of memory in use. ENERGY: 4914800 3993.4500 20420.0162 14356.9406 249.0919 -203137.6034 2202.6599 0.0000 0.0000 52191.3009 -109724.1439 299.9441 -161915.4448 -109367.9014 299.0958 -42.0569 -13.8097 762051.0887 7.3892 7.4361 PRESSURE: 4915000 -85.7051 -196.961 -264.838 -196.961 243.243 100.507 -264.839 100.507 -155.135 GPRESSURE: 4915000 40.6067 -104.222 -302.536 -197.032 172.972 162.852 -258.682 -20.5054 -133.989 PRESSAVG: 4915000 -48.9149 -78.3825 -24.6427 -78.3826 46.1144 -32.8858 -24.6427 -32.8859 -0.147898 GPRESSAVG: 4915000 -47.7213 -79.703 -24.0982 -78.6234 46.9645 -32.4855 -25.7875 -34.7458 -2.01331 TIMING: 4915000 CPU: 15582.2, 0.00312909/step Wall: 15582.2, 0.00312909/step, 0.0738812 hours remaining, 242.351562 MB of memory in use. ENERGY: 4915000 4103.3058 20506.3213 14338.5214 238.0746 -203787.4847 2857.9114 0.0000 0.0000 51924.5476 -109818.8026 298.4111 -161743.3502 -109465.2584 298.8628 0.8011 26.5300 761769.6525 -0.9828 -0.9234 PRESSURE: 4915200 -17.3608 -98.2024 -73.0484 -98.2023 -445.69 -309.199 -73.0481 -309.198 -480.749 GPRESSURE: 4915200 5.10739 -108.618 77.2168 73.6691 -358.249 -321.884 -41.6334 -208.825 -480.583 PRESSAVG: 4915200 -23.0392 -66.6936 -22.1983 -66.6936 70.3463 -6.15373 -22.1983 -6.15363 -18.2464 GPRESSAVG: 4915200 -23.8029 -66.1863 -21.345 -65.1002 69.7482 -8.40133 -23.408 -2.65235 -16.654 TIMING: 4915200 CPU: 15582.9, 0.00315488/step Wall: 15582.9, 0.00315488/step, 0.0743149 hours remaining, 242.351562 MB of memory in use. ENERGY: 4915200 4056.3258 20320.9832 14416.0293 233.9623 -203245.2350 2534.6151 0.0000 0.0000 51843.5457 -109839.7736 297.9456 -161683.3193 -109469.0218 299.0047 -314.6000 -277.9082 762627.4762 9.6869 9.7637 PRESSURE: 4915400 315.173 68.2002 58.2426 68.1993 256.098 103.53 58.2423 103.531 14.6417 GPRESSURE: 4915400 231.71 31.3822 120.304 102.496 249.919 139.107 18.0632 98.9479 177.38 PRESSAVG: 4915400 -12.8637 4.86987 -2.12429 4.86983 31.6371 3.27995 -2.12433 3.27993 9.87211 GPRESSAVG: 4915400 -14.4966 4.06719 -0.916848 5.00662 32.8531 5.95574 -2.36919 3.11238 10.6371 TIMING: 4915400 CPU: 15583.5, 0.00312875/step Wall: 15583.5, 0.00312875/step, 0.0735256 hours remaining, 242.351562 MB of memory in use. ENERGY: 4915400 3966.6852 20508.1623 14322.5391 233.0559 -203451.3995 2655.9439 0.0000 0.0000 51839.1860 -109925.8273 297.9205 -161765.0132 -109564.6268 298.6358 195.3043 219.6700 761362.8733 9.5485 9.6645 PRESSURE: 4915600 90.1229 -58.6145 -74.8282 -58.6145 -409.242 52.3995 -74.8281 52.3997 -181.432 GPRESSURE: 4915600 7.92312 -170.004 -132.724 -73.4534 -254.761 84.0285 -115.88 -10.4888 -173.383 PRESSAVG: 4915600 28.4291 -13.7889 -55.5609 -13.7889 -0.607837 -7.69954 -55.5609 -7.69951 -15.6623 GPRESSAVG: 4915600 30.0633 -13.5491 -57.4858 -16.4414 -1.49654 -7.34118 -52.8917 -8.77349 -16.3876 TIMING: 4915600 CPU: 15584.1, 0.00312021/step Wall: 15584.1, 0.00312021/step, 0.0731515 hours remaining, 242.351562 MB of memory in use. ENERGY: 4915600 3964.9324 20571.9106 14395.5338 254.7840 -203210.7981 2216.5725 0.0000 0.0000 51844.2763 -109962.7886 297.9498 -161807.0649 -109604.3417 298.8129 -166.8504 -140.0738 762139.1378 4.0530 4.0597 PRESSURE: 4915800 -48.9966 -23.0005 127.112 -23.0011 302.102 206.124 127.112 206.123 -227.636 GPRESSURE: 4915800 -48.0034 -27.1468 115.453 -77.0156 318.768 160.09 121.862 98.9603 -164.054 PRESSAVG: 4915800 -29.1601 -42.2388 -14.2113 -42.2389 37.1579 -5.70624 -14.2113 -5.70619 25.956 GPRESSAVG: 4915800 -28.9401 -41.4588 -14.7282 -40.7899 36.4466 -7.53606 -13.7743 -5.92475 26.1201 TIMING: 4915800 CPU: 15584.7, 0.00317804/step Wall: 15584.7, 0.00317804/step, 0.0743308 hours remaining, 242.351562 MB of memory in use. ENERGY: 4915800 3916.7098 20373.1930 14418.4682 241.8355 -203550.7998 2568.4454 0.0000 0.0000 52107.9310 -109924.2168 299.4650 -162032.1478 -109557.3266 298.3302 8.4897 35.5702 761551.7081 11.3179 11.2089 PRESSURE: 4916000 150.225 -131.784 -211.909 -131.784 -91.5752 66.3987 -211.909 66.3987 -234.105 GPRESSURE: 4916000 206.215 -98.0918 -227.871 -139.136 -109.721 75.6613 -146.758 35.4324 -186.121 PRESSAVG: 4916000 -50.9853 -31.5814 -20.5883 -31.5814 11.811 14.6596 -20.5883 14.6596 2.42395 GPRESSAVG: 4916000 -51.2731 -30.566 -18.8905 -32.297 11.542 14.4063 -21.5338 15.1813 3.05552 TIMING: 4916000 CPU: 15585.4, 0.00314723/step Wall: 15585.4, 0.00314723/step, 0.0734353 hours remaining, 242.351562 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: 4916000 3962.9432 20470.4826 14401.6877 263.8870 -203398.4039 2614.5306 0.0000 0.0000 52025.6686 -109659.2042 298.9922 -161684.8729 -109293.6502 298.8915 -58.4850 -29.8758 761723.7422 -12.2501 -12.2252 PRESSURE: 4916200 111.701 11.1535 51.3057 11.1531 501.488 -121.138 51.3048 -121.138 144.859 GPRESSURE: 4916200 224.685 34.1946 127.765 -49.8008 437.288 -96.9868 41.1193 -15.0087 191.06 PRESSAVG: 4916200 -25.6323 -48.1878 1.12277 -48.1878 21.5784 -12.3926 1.12272 -12.3927 18.1186 GPRESSAVG: 4916200 -24.2698 -50.832 0.0064553 -45.9068 21.1369 -11.758 -0.919225 -13.5432 17.7765 TIMING: 4916200 CPU: 15586, 0.00313764/step Wall: 15586, 0.00313764/step, 0.0730373 hours remaining, 242.351562 MB of memory in use. ENERGY: 4916200 3980.1007 20444.2341 14385.3259 236.4970 -203933.5746 2825.0837 0.0000 0.0000 52327.0623 -109735.2709 300.7243 -162062.3332 -109370.0782 299.5239 252.6825 284.3442 759401.2937 4.6882 4.8812 LDB: ============= START OF LOAD BALANCING ============== 15598.4 LDB: ============== END OF LOAD BALANCING =============== 15598.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15598.4 LDB: ============= START OF LOAD BALANCING ============== 15598.8 LDB: Largest compute 7066 load 0.034196 is 17.5% of average load 0.195504 LDB: Average compute 0.004399 is 2.2% of average load 0.195504 LDB: TIME 15598.8 LOAD: AVG 0.195504 MAX 0.215634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.098 MB LDB: TIME 15598.8 LOAD: AVG 0.195504 MAX 0.215634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: TIME 15598.8 LOAD: AVG 0.195504 MAX 0.215634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.102 MB LDB: ============== END OF LOAD BALANCING =============== 15598.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15598.8 PRESSURE: 4916400 212.662 -123.732 -138.197 -123.732 117.678 15.9026 -138.197 15.9021 -123.315 GPRESSURE: 4916400 287.251 -72.8035 -92.0099 -59.5567 146.825 38.8999 -59.2519 151.701 -147.735 PRESSAVG: 4916400 -48.4417 -50.5151 -10.7893 -50.5152 -12.6146 -90.7889 -10.7893 -90.7889 4.85817 GPRESSAVG: 4916400 -49.9315 -48.703 -7.25306 -51.7114 -11.0069 -92.4904 -10.5559 -87.8903 4.04992 TIMING: 4916400 CPU: 15586.6, 0.00320614/step Wall: 15586.6, 0.00320614/step, 0.0744538 hours remaining, 239.527344 MB of memory in use. ENERGY: 4916400 3992.8407 20611.2516 14342.2924 247.1141 -203598.7632 2527.3845 0.0000 0.0000 52003.8039 -109874.0760 298.8666 -161877.8799 -109517.4672 298.9620 69.0080 95.4468 760186.5552 -18.7327 -18.9628 PRESSURE: 4916600 84.7364 66.1061 -231.755 66.1053 -71.4968 -153.274 -231.754 -153.274 225.445 GPRESSURE: 4916600 40.1473 -100.616 -178.716 -27.9601 36.1709 -13.765 -226.159 -104.146 242.502 PRESSAVG: 4916600 -32.1273 -31.5083 -46.6037 -31.5084 13.2565 24.6144 -46.6038 24.6144 26.5265 GPRESSAVG: 4916600 -31.3016 -32.1195 -49.4788 -32.1442 12.1717 26.025 -46.4049 24.2519 26.9708 TIMING: 4916600 CPU: 15587.3, 0.00311123/step Wall: 15587.3, 0.00311123/step, 0.0720768 hours remaining, 239.527344 MB of memory in use. ENERGY: 4916600 3971.3192 20528.9171 14399.4087 240.2748 -203301.4925 2555.7936 0.0000 0.0000 51606.6149 -109999.1642 296.5839 -161605.7791 -109651.3113 298.6042 79.5616 106.2735 760432.1052 2.5519 2.6136 PRESSURE: 4916800 -118.378 199.21 139.795 199.21 319.175 -33.503 139.796 -33.5026 174.588 GPRESSURE: 4916800 -63.0294 190.786 169.605 226.424 253.747 -62.0833 93.7801 -38.4933 276.78 PRESSAVG: 4916800 31.566 10.2226 16.2249 10.2226 -17.8068 -57.0632 16.225 -57.0631 -11.3431 GPRESSAVG: 4916800 30.8881 10.9873 16.6229 10.6897 -18.5997 -57.3299 17.9455 -56.9567 -9.68539 TIMING: 4916800 CPU: 15587.9, 0.00312617/step Wall: 15587.9, 0.00312617/step, 0.0722493 hours remaining, 239.527344 MB of memory in use. ENERGY: 4916800 4000.0764 20403.3318 14421.5427 246.1245 -203722.4560 2501.2116 0.0000 0.0000 51934.2931 -110215.8760 298.4671 -162150.1691 -109849.6661 298.4213 125.1286 155.8328 757917.4110 0.8053 0.8677 PRESSURE: 4917000 -374.996 37.6389 138.684 37.6399 -146.381 -132.482 138.685 -132.482 169.645 GPRESSURE: 4917000 -275.364 84.2258 63.0179 60.0951 -188.127 -217.69 184.519 -157.582 184.337 PRESSAVG: 4917000 30.9874 46.4558 13.958 46.4558 -22.2518 -54.8423 13.958 -54.8423 41.3475 GPRESSAVG: 4917000 31.4304 47.4988 11.9908 46.88 -20.9526 -54.6328 12.5302 -56.7682 39.9141 TIMING: 4917000 CPU: 15588.5, 0.00313985/step Wall: 15588.5, 0.00313984/step, 0.0723909 hours remaining, 239.527344 MB of memory in use. ENERGY: 4917000 3985.3062 20471.9234 14395.4338 230.8113 -203491.6515 2364.8237 0.0000 0.0000 51735.4740 -110307.8791 297.3245 -162043.3532 -109947.6475 298.0810 -117.2442 -93.0513 759741.4882 16.6943 16.7973 PRESSURE: 4917200 26.5009 -44.0642 90.5302 -44.0643 302.536 85.984 90.5318 85.9847 -300.009 GPRESSURE: 4917200 34.1569 53.2769 -21.9281 -12.3486 346.084 88.5043 93.3426 158.13 -280.289 PRESSAVG: 4917200 0.0274678 27.9281 11.1337 27.9281 -69.4122 4.75862 11.1337 4.75862 -25.2431 GPRESSAVG: 4917200 0.134865 27.7445 12.956 25.4718 -68.9146 4.22457 12.2777 4.75145 -25.6929 TIMING: 4917200 CPU: 15589.1, 0.00315057/step Wall: 15589.1, 0.00315057/step, 0.0724631 hours remaining, 239.527344 MB of memory in use. ENERGY: 4917200 4031.6548 20518.0086 14465.9332 235.1944 -203771.3036 2521.2627 0.0000 0.0000 51786.1915 -110213.0584 297.6160 -161999.2499 -109845.5876 297.2304 9.6759 33.3172 761244.5344 -31.5426 -31.4909 PRESSURE: 4917400 -223.244 -140.091 -83.8131 -140.091 -68.1848 -12.453 -83.8124 -12.4532 372.098 GPRESSURE: 4917400 -185.595 -158.152 -93.213 -99.4293 -8.21849 -79.0714 -127.489 180.793 382.29 PRESSAVG: 4917400 -9.01955 4.81072 25.3818 4.81075 44.5286 -30.6975 25.3817 -30.6976 10.2298 GPRESSAVG: 4917400 -7.50411 2.03496 24.1293 7.81563 43.0255 -29.1825 26.2119 -30.0018 10.4907 TIMING: 4917400 CPU: 15589.8, 0.00314851/step Wall: 15589.8, 0.00314851/step, 0.0722407 hours remaining, 239.527344 MB of memory in use. ENERGY: 4917400 3869.1561 20391.7415 14459.7204 267.1911 -204026.6549 2970.8929 0.0000 0.0000 51868.8147 -110199.1381 298.0908 -162067.9529 -109841.7955 298.3409 26.8899 62.8252 760826.1178 15.2463 15.3373 PRESSURE: 4917600 -150.433 5.71437 143.139 5.71539 -21.0488 -284.005 143.14 -284.005 -723.855 GPRESSURE: 4917600 -130.814 -25.0006 49.8026 -24.2248 65.3789 -305.072 130.458 -309.013 -731.729 PRESSAVG: 4917600 -44.5781 -16.9715 6.53802 -16.9715 -3.79122 10.3302 6.53804 10.3303 4.37711 GPRESSAVG: 4917600 -45.291 -16.6985 7.38836 -17.0543 -3.31437 9.77043 6.30572 10.0119 4.35894 TIMING: 4917600 CPU: 15590.4, 0.00314433/step Wall: 15590.4, 0.00314433/step, 0.0719703 hours remaining, 239.527344 MB of memory in use. ENERGY: 4917600 3956.6443 20370.6796 14442.4070 242.0534 -203495.8164 2424.6943 0.0000 0.0000 51818.6281 -110240.7097 297.8024 -162059.3378 -109878.0970 298.0753 -298.4456 -265.7213 760010.6691 -14.6641 -14.7488 PRESSURE: 4917800 57.1481 7.54888 20.0084 7.54932 -161.577 48.7795 20.0084 48.7796 224.17 GPRESSURE: 4917800 84.2003 -118.323 -35.552 58.6124 -215.228 79.5129 96.1333 26.5837 339.054 PRESSAVG: 4917800 3.62612 -8.47882 27.3191 -8.47883 2.90011 -20.2251 27.319 -20.225 -13.6946 GPRESSAVG: 4917800 3.51974 -9.04902 26.6438 -6.00218 2.94805 -20.3213 24.4897 -17.7609 -13.0366 TIMING: 4917800 CPU: 15591, 0.00315156/step Wall: 15591, 0.00315156/step, 0.0719606 hours remaining, 239.527344 MB of memory in use. ENERGY: 4917800 4008.8610 20537.1599 14394.2461 241.3827 -203922.8551 2554.7500 0.0000 0.0000 51985.5278 -110200.9277 298.7615 -162186.4555 -109839.2466 298.1437 39.9135 69.3420 760156.0046 -2.3894 -2.1896 PRESSURE: 4918000 -273.734 -164.921 182.844 -164.921 151.822 -90.919 182.844 -90.9191 92.7543 GPRESSURE: 4918000 -239.83 -108.842 148.959 -6.51684 158.687 -212.103 197.416 -91.2094 137.006 PRESSAVG: 4918000 -17.2376 -50.5741 103.975 -50.5742 15.6192 -39.1415 103.975 -39.1416 -11.5748 GPRESSAVG: 4918000 -17.5336 -48.9894 104.101 -53.2218 17.4422 -38.4871 104.688 -37.74 -13.2176 TIMING: 4918000 CPU: 15591.7, 0.00312819/step Wall: 15591.7, 0.00312819/step, 0.0712532 hours remaining, 239.527344 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: 4918000 3985.3570 20550.3932 14366.6563 246.0103 -203807.7654 2694.7940 0.0000 0.0000 51922.2131 -110042.3413 298.3977 -161964.5545 -109670.8310 298.1646 -9.7189 18.6209 760432.4009 -4.3977 -4.4363 PRESSURE: 4918200 102.191 18.176 194.313 18.1764 65.8975 -223.383 194.312 -223.383 230.911 GPRESSURE: 4918200 176.198 -63.4604 141.848 96.8066 105.709 -354.122 145.155 -208.15 185.201 PRESSAVG: 4918200 -21.3807 -19.8347 20.1485 -19.8347 -29.4148 20.8025 20.1485 20.8025 -7.97372 GPRESSAVG: 4918200 -20.0991 -19.3444 20.3349 -21.0597 -31.9674 19.1386 20.4039 19.3424 -7.0299 TIMING: 4918200 CPU: 15592.3, 0.00314373/step Wall: 15592.3, 0.00314373/step, 0.0714325 hours remaining, 239.527344 MB of memory in use. ENERGY: 4918200 3964.6713 20598.6953 14408.9874 251.5614 -204038.3155 2744.7547 0.0000 0.0000 51833.0929 -110236.5525 297.8855 -162069.6454 -109870.8750 298.1936 132.9999 155.7026 758910.6106 -19.5897 -19.6988 PRESSURE: 4918400 16.7435 213.135 186.46 213.136 -38.872 92.2966 186.461 92.2956 203.573 GPRESSURE: 4918400 -10.0809 232.804 127.465 182.456 -83.0825 213.895 195.428 70.1727 348.776 PRESSAVG: 4918400 4.31597 -42.738 56.3857 -42.7379 12.0449 39.0589 56.3857 39.0589 22.9452 GPRESSAVG: 4918400 2.99368 -43.8277 56.7176 -41.4373 12.977 40.0768 56.7441 36.0377 23.6376 TIMING: 4918400 CPU: 15592.9, 0.00311318/step Wall: 15592.9, 0.00311318/step, 0.0705653 hours remaining, 239.527344 MB of memory in use. ENERGY: 4918400 3971.2574 20695.7655 14317.8120 234.4989 -203725.3651 2592.9795 0.0000 0.0000 51600.2978 -110312.7540 296.5476 -161913.0518 -109962.4734 298.0768 60.4814 85.2042 761719.4717 13.1020 13.2028 PRESSURE: 4918600 -180.388 15.485 -38.6356 15.4854 -112.683 -93.2447 -38.6349 -93.2465 -142.241 GPRESSURE: 4918600 -83.9374 117.05 -5.67404 -30.4214 -141.654 -35.1442 24.4893 -86.087 -148.913 PRESSAVG: 4918600 30.7085 6.38358 42.1056 6.38358 9.22712 15.7611 42.1057 15.761 -12.5113 GPRESSAVG: 4918600 32.0038 6.75787 43.4852 5.41952 8.76546 14.3505 42.8648 18.6897 -13.1508 TIMING: 4918600 CPU: 15593.5, 0.00312723/step Wall: 15593.5, 0.00312723/step, 0.0707102 hours remaining, 239.527344 MB of memory in use. ENERGY: 4918600 3969.1296 20434.6609 14384.6277 245.1900 -203918.6727 2819.8812 0.0000 0.0000 51776.2676 -110288.9157 297.5589 -162065.1833 -109935.2103 298.2016 -145.1038 -124.8349 763501.3498 9.1414 9.2062 PRESSURE: 4918800 11.0958 -230.007 95.966 -230.008 -415.12 -65.7116 95.966 -65.7117 71.8574 GPRESSURE: 4918800 13.3061 -277.612 70.0825 -181.837 -268.554 -41.181 -116.259 -185.426 24.2931 PRESSAVG: 4918800 33.2462 -74.9776 15.92 -74.9777 -81.3168 -2.45276 15.92 -2.45271 -3.16855 GPRESSAVG: 4918800 31.6245 -74.4782 14.455 -75.0902 -79.3795 -2.38747 15.1313 -3.2717 -2.96313 TIMING: 4918800 CPU: 15594.2, 0.0031373/step Wall: 15594.2, 0.0031373/step, 0.0707635 hours remaining, 239.527344 MB of memory in use. ENERGY: 4918800 3953.8266 20479.8539 14412.7516 213.7749 -203512.8541 2511.4100 0.0000 0.0000 51743.0849 -110198.1522 297.3682 -161941.2371 -109840.6028 297.9608 -110.7222 -76.9850 761035.4619 -17.0797 -16.9061 PRESSURE: 4919000 144.555 -279.112 19.8828 -279.112 -11.0923 -177.313 19.8819 -177.313 -33.5188 GPRESSURE: 4919000 108.865 -348.16 5.20573 -224.434 154.131 -244.038 64.7226 -54.5262 -85.89 PRESSAVG: 4919000 -1.17809 -31.6483 1.44741 -31.6482 23.0764 -51.2644 1.44737 -51.2644 -6.41065 GPRESSAVG: 4919000 -1.08153 -32.4227 2.50317 -33.13 22.5362 -49.3246 -0.147818 -51.8705 -5.65187 TIMING: 4919000 CPU: 15594.8, 0.00314205/step Wall: 15594.8, 0.00314205/step, 0.0706961 hours remaining, 239.527344 MB of memory in use. ENERGY: 4919000 3975.6935 20605.5585 14471.6720 255.3791 -203701.6410 2649.2695 0.0000 0.0000 51832.5929 -109911.4756 297.8826 -161744.0685 -109551.5840 298.0071 33.3145 59.0354 760360.3412 5.1625 5.2676 PRESSURE: 4919200 188.015 -35.1188 52.7916 -35.1189 25.8934 65.1916 52.7915 65.1921 155.731 GPRESSURE: 4919200 172.583 80.9649 -19.8401 43.3086 172.439 5.39439 150.512 93.563 122.564 PRESSAVG: 4919200 -12.7239 -26.7928 14.65 -26.7927 8.78533 8.30959 14.65 8.30959 1.24297 GPRESSAVG: 4919200 -13.7173 -25.7953 12.455 -23.715 10.5435 5.54943 16.0864 10.3722 0.698477 TIMING: 4919200 CPU: 15595.4, 0.00313702/step Wall: 15595.4, 0.00313702/step, 0.0704087 hours remaining, 239.527344 MB of memory in use. ENERGY: 4919200 3903.7498 20370.2412 14464.9551 240.3507 -203476.7344 2677.4046 0.0000 0.0000 51872.3798 -109947.6531 298.1113 -161820.0330 -109585.0230 298.3150 123.2130 155.8619 759422.0506 -0.8985 -0.8251 PRESSURE: 4919400 176.925 118.446 105.139 118.447 -52.2127 -47.0259 105.139 -47.0254 -322.133 GPRESSURE: 4919400 139.963 33.735 175.236 55.2951 56.6574 -15.8573 -104.805 -70.2816 -297.49 PRESSAVG: 4919400 34.6499 3.72281 18.8801 3.72275 -47.5902 -5.41238 18.8801 -5.41238 8.51959 GPRESSAVG: 4919400 33.849 2.78444 19.3149 5.1067 -47.5234 -4.75906 20.2208 -7.66755 8.83418 TIMING: 4919400 CPU: 15596, 0.0031519/step Wall: 15596, 0.0031519/step, 0.0705676 hours remaining, 239.527344 MB of memory in use. ENERGY: 4919400 3980.3393 20571.3120 14473.0020 244.7558 -203390.9543 2421.0808 0.0000 0.0000 52064.7975 -109635.6669 299.2171 -161700.4643 -109274.1827 299.0562 -65.8072 -33.6233 760347.3381 -1.4736 -1.6134 PRESSURE: 4919600 -210.789 79.49 94.6555 79.4908 128.18 -169.932 94.6557 -169.932 -10.132 GPRESSURE: 4919600 -176.38 -53.6966 19.4219 218.845 67.8699 -210.004 -67.7738 -147.438 93.0785 PRESSAVG: 4919600 -32.2477 38.6523 24.9448 38.6523 64.8558 -39.3735 24.9448 -39.3735 -3.06822 GPRESSAVG: 4919600 -31.1549 39.133 25.2426 36.85 62.8194 -39.0854 22.4541 -38.31 -2.41081 TIMING: 4919600 CPU: 15596.7, 0.00310907/step Wall: 15596.7, 0.00310907/step, 0.0694359 hours remaining, 239.527344 MB of memory in use. ENERGY: 4919600 3949.1309 20629.6236 14481.2075 242.3599 -203840.7085 2796.4090 0.0000 0.0000 52146.9750 -109595.0027 299.6894 -161741.9777 -109241.2408 299.7749 -30.9136 -5.1440 760468.7927 9.8466 9.7512 PRESSURE: 4919800 -69.1628 170.175 -4.06623 170.176 -256.649 63.945 -4.06646 63.9456 0.115038 GPRESSURE: 4919800 -104.802 -19.2205 127.725 234.287 -93.2176 14.6294 -17.9933 138.601 -37.9588 PRESSAVG: 4919800 -33.6901 -5.49437 20.0131 -5.49434 56.0416 -51.4485 20.0131 -51.4486 20.8982 GPRESSAVG: 4919800 -34.1856 -6.01155 20.5903 -6.5641 57.4934 -50.9822 22.3115 -52.8097 20.7784 TIMING: 4919800 CPU: 15597.3, 0.00312548/step Wall: 15597.3, 0.00312548/step, 0.0696288 hours remaining, 239.527344 MB of memory in use. ENERGY: 4919800 3977.2745 20545.4628 14408.1959 247.8658 -202857.4305 2271.0502 0.0000 0.0000 51890.7506 -109516.8308 298.2169 -161407.5813 -109161.4389 299.1702 -108.5657 -78.6594 760791.6483 14.4166 14.6954 PRESSURE: 4920000 -36.8493 171.87 178.965 171.87 16.5771 -53.8253 178.965 -53.8248 272.991 GPRESSURE: 4920000 39.2383 72.163 82.9729 153.468 63.5565 -35.2755 186.801 43.8579 233.344 PRESSAVG: 4920000 -5.96972 14.1486 42.0531 14.1486 9.30754 -32.0575 42.0531 -32.0574 -5.19017 GPRESSAVG: 4920000 -5.59086 14.1422 43.2371 14.5595 9.25412 -33.7671 37.6587 -30.2672 -5.51845 TIMING: 4920000 CPU: 15597.9, 0.00313709/step Wall: 15597.9, 0.00313709/step, 0.0697132 hours remaining, 239.527344 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: 4920000 3969.9296 20479.7578 14469.5672 249.5630 -203101.8690 2636.2781 0.0000 0.0000 52100.2238 -109196.5495 299.4207 -161296.7733 -108838.2882 299.9084 84.2397 112.0463 761862.0187 -0.6174 -0.6184 PRESSURE: 4920200 -41.4261 96.4359 5.9136 96.4354 -131.661 -91.0693 5.91335 -91.0695 -185.743 GPRESSURE: 4920200 9.00984 157.767 26.3482 18.6343 -95.4875 -88.9627 48.4016 -147.404 -191.947 PRESSAVG: 4920200 -5.7483 -41.2145 -22.1075 -41.2146 -14.8306 0.293199 -22.1075 0.293217 -1.98942 GPRESSAVG: 4920200 -4.50954 -40.4115 -21.8952 -41.8534 -15.7255 0.316636 -18.1041 0.654977 -1.27576 TIMING: 4920200 CPU: 15598.5, 0.00314904/step Wall: 15598.5, 0.00314904/step, 0.0698038 hours remaining, 239.527344 MB of memory in use. ENERGY: 4920200 3980.8226 20655.2050 14426.1793 266.3110 -203023.3737 2266.7310 0.0000 0.0000 52175.2738 -109252.8509 299.8520 -161428.1247 -108886.5976 299.6682 -119.6098 -92.8082 761865.0935 -7.5228 -7.1703 LDB: ============= START OF LOAD BALANCING ============== 15611 LDB: ============== END OF LOAD BALANCING =============== 15611 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15611 LDB: ============= START OF LOAD BALANCING ============== 15611.3 LDB: Largest compute 7045 load 0.032122 is 16.4% of average load 0.195483 LDB: Average compute 0.004382 is 2.2% of average load 0.195483 LDB: TIME 15611.3 LOAD: AVG 0.195483 MAX 0.21392 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 15611.3 LOAD: AVG 0.195483 MAX 0.21392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: TIME 15611.3 LOAD: AVG 0.195483 MAX 0.21392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.039 MB LDB: ============== END OF LOAD BALANCING =============== 15611.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15611.3 PRESSURE: 4920400 -86.1146 -63.003 -11.0573 -63.0027 -290.014 162.454 -11.0578 162.455 218.1 GPRESSURE: 4920400 -15.7754 -90.7886 -21.485 -54.1516 -261.192 171.074 3.80254 181.772 206.072 PRESSAVG: 4920400 24.4925 -9.10527 31.637 -9.10523 5.97747 0.936187 31.637 0.936204 8.28495 GPRESSAVG: 4920400 23.1389 -9.63883 31.2445 -8.73524 7.50918 2.36822 30.228 -0.213802 7.96539 TIMING: 4920400 CPU: 15599.2, 0.00321082/step Wall: 15599.2, 0.00321082/step, 0.0709949 hours remaining, 239.527344 MB of memory in use. ENERGY: 4920400 3969.3373 20511.3699 14457.7197 234.4121 -203154.4329 2471.8677 0.0000 0.0000 52118.5237 -109391.2025 299.5259 -161509.7262 -109031.8372 299.5565 -52.6762 -23.6318 760003.2007 12.9183 12.8712 PRESSURE: 4920600 182.276 59.2479 -35.6337 59.2479 44.2542 126.811 -35.6335 126.814 128.799 GPRESSURE: 4920600 270.885 2.1097 -48.5276 31.8283 66.7829 89.4981 10.1646 27.1937 111.246 PRESSAVG: 4920600 -18.1516 -11.6359 4.39747 -11.6358 -7.04464 37.9406 4.39745 37.9406 -2.463 GPRESSAVG: 4920600 -16.2858 -10.8572 2.2974 -10.5181 -8.62092 36.3206 5.64478 37.2399 -1.90733 TIMING: 4920600 CPU: 15599.8, 0.00314158/step Wall: 15599.8, 0.00314158/step, 0.0692894 hours remaining, 239.527344 MB of memory in use. ENERGY: 4920600 4004.4590 20595.4135 14382.8968 231.3129 -203304.6393 2531.1434 0.0000 0.0000 52146.2435 -109413.1703 299.6852 -161559.4138 -109060.9451 299.1839 118.4432 149.6380 759405.8470 -9.2198 -8.9380 PRESSURE: 4920800 -197.198 -136.261 157.768 -136.262 -106.908 -18.9975 157.767 -18.9968 -88.8582 GPRESSURE: 4920800 -158.118 -38.1478 101.475 -79.4509 -93.0872 14.4778 153.121 119.829 -37.8868 PRESSAVG: 4920800 21.5709 -12.5338 -22.5926 -12.5338 -5.52011 6.56317 -22.5926 6.56315 9.51441 GPRESSAVG: 4920800 21.5665 -12.6834 -20.9521 -12.5944 -4.65885 7.81743 -23.1233 8.18672 8.68656 TIMING: 4920800 CPU: 15600.4, 0.00314094/step Wall: 15600.4, 0.00314094/step, 0.0691007 hours remaining, 239.527344 MB of memory in use. ENERGY: 4920800 3967.1280 20492.9437 14484.1718 224.3452 -203142.7572 2327.6125 0.0000 0.0000 52145.5557 -109501.0003 299.6812 -161646.5561 -109135.0299 299.6318 -130.9880 -96.3640 759427.9987 8.5217 8.5314 PRESSURE: 4921000 -321.708 322.365 -134.159 322.364 63.6096 103.904 -134.158 103.905 -1.98718 GPRESSURE: 4921000 -331.759 278.404 -127.576 315.584 119.707 82.0236 -65.7262 127.258 51.9695 PRESSAVG: 4921000 -22.1312 25.4869 -25.3721 25.487 33.6181 -11.846 -25.372 -11.846 -27.8616 GPRESSAVG: 4921000 -22.6225 25.6964 -25.743 25.8348 33.8966 -9.71466 -27.6433 -14.2489 -27.2533 TIMING: 4921000 CPU: 15601.1, 0.00313094/step Wall: 15601.1, 0.00313094/step, 0.0687067 hours remaining, 239.527344 MB of memory in use. ENERGY: 4921000 3990.2442 20484.7430 14470.9044 253.3736 -203417.8825 2425.0984 0.0000 0.0000 52310.2756 -109483.2432 300.6279 -161793.5189 -109109.4726 300.1480 -86.6953 -53.3608 759718.0302 -5.4582 -5.3264 PRESSURE: 4921200 -298.289 -172.761 -112.242 -172.761 145.188 -221.345 -112.242 -221.343 -148.913 GPRESSURE: 4921200 -316.075 -182.348 -104.632 -188.816 192.182 -152.621 -81.3656 -20.2935 -92.5866 PRESSAVG: 4921200 -53.5054 7.73295 -4.74246 7.73296 60.8842 -34.6224 -4.74247 -34.6223 4.0683 GPRESSAVG: 4921200 -54.1302 5.00995 -5.94523 7.08313 60.3015 -36.3158 -2.93082 -33.359 4.70928 TIMING: 4921200 CPU: 15601.7, 0.00312681/step Wall: 15601.7, 0.00312681/step, 0.0684424 hours remaining, 239.527344 MB of memory in use. ENERGY: 4921200 4033.4812 20492.5885 14378.0611 256.4435 -203069.7769 2166.6882 0.0000 0.0000 52349.6909 -109392.8235 300.8544 -161742.5144 -109030.7899 299.7181 -100.6713 -72.1597 762113.9940 3.8157 3.6269 PRESSURE: 4921400 59.575 111.329 -50.3703 111.33 81.3939 29.9956 -50.3709 29.995 5.51223 GPRESSURE: 4921400 101.282 65.3063 -55.002 111.561 117.008 32.2066 -68.0129 10.6145 5.68312 PRESSAVG: 4921400 -43.4406 -6.96278 -29.8327 -6.96277 33.2783 8.2942 -29.8327 8.2942 -13.8283 GPRESSAVG: 4921400 -42.4329 -4.50508 -29.1064 -5.97525 32.4912 7.11839 -29.0698 8.37627 -14.1301 TIMING: 4921400 CPU: 15602.3, 0.00312713/step Wall: 15602.3, 0.00312713/step, 0.0682757 hours remaining, 239.527344 MB of memory in use. ENERGY: 4921400 4001.7343 20393.9321 14429.4478 257.2870 -203965.6680 2924.8513 0.0000 0.0000 52464.7968 -109493.6187 301.5159 -161958.4155 -109143.5437 300.1331 48.8271 74.6576 762174.3705 -7.9969 -8.0239 PRESSURE: 4921600 288.449 32.6783 -32.0204 32.6787 3.35955 158.401 -32.0202 158.4 -9.47567 GPRESSURE: 4921600 314.898 48.6564 -16.3778 -26.3878 32.1683 155.829 -152.975 207.053 45.1975 PRESSAVG: 4921600 -24.0233 -7.5982 -46.5424 -7.59828 -24.6733 -29.2263 -46.5425 -29.2262 6.51277 GPRESSAVG: 4921600 -24.0854 -8.1586 -45.5938 -8.79 -24.2437 -28.2523 -49.2757 -28.8453 6.37109 TIMING: 4921600 CPU: 15602.9, 0.00310996/step Wall: 15602.9, 0.00310996/step, 0.0677279 hours remaining, 239.527344 MB of memory in use. ENERGY: 4921600 4025.4747 20459.4925 14435.0430 249.3374 -203924.7039 2999.5284 0.0000 0.0000 52193.2811 -109562.5469 299.9555 -161755.8280 -109195.0076 299.7822 94.1109 130.7547 763101.4561 -14.0613 -13.9860 PRESSURE: 4921800 359.337 34.9294 33.3218 34.9296 -11.0002 -63.1508 33.3216 -63.15 -121.295 GPRESSURE: 4921800 204.715 31.1707 113.392 -42.3023 119.3 8.31405 45.0562 -210.541 -17.962 PRESSAVG: 4921800 -30.0945 20.0702 -21.3903 20.0701 26.3199 -47.5863 -21.3902 -47.5862 32.177 GPRESSAVG: 4921800 -30.5065 18.12 -21.7612 21.382 27.2213 -47.3704 -18.7596 -48.7243 31.5554 TIMING: 4921800 CPU: 15603.6, 0.00311796/step Wall: 15603.6, 0.00311796/step, 0.067729 hours remaining, 239.527344 MB of memory in use. ENERGY: 4921800 3965.5598 20544.6982 14393.2206 259.4631 -203851.5440 2757.5594 0.0000 0.0000 52309.4118 -109621.6311 300.6229 -161931.0429 -109257.3248 299.4560 75.6807 102.0177 761300.4877 9.4675 9.4234 PRESSURE: 4922000 -97.597 -254.174 -69.5618 -254.174 302.79 -68.1627 -69.5617 -68.1635 -222.519 GPRESSURE: 4922000 -7.89186 -191.015 -67.4654 -221.666 268.623 -55.9286 -91.7722 83.6566 -197.302 PRESSAVG: 4922000 -7.41549 -64.1372 27.9116 -64.1371 45.3854 -65.4836 27.9116 -65.4835 -7.92891 GPRESSAVG: 4922000 -7.97245 -60.5069 27.4832 -66.1039 45.8489 -66.0578 26.9344 -64.8052 -7.6811 TIMING: 4922000 CPU: 15604.2, 0.00311502/step Wall: 15604.2, 0.00311502/step, 0.0674921 hours remaining, 239.527344 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: 4922000 4022.6518 20375.6782 14405.6649 237.4862 -202868.8784 2202.3650 0.0000 0.0000 51985.4546 -109639.5777 298.7611 -161625.0323 -109264.7543 299.0069 -5.7752 21.1432 762448.3592 10.0137 10.0651 PRESSURE: 4922200 -127.741 188.851 -267.103 188.851 -67.5526 -216.773 -267.103 -216.774 8.89104 GPRESSURE: 4922200 -163.995 113.965 -276.216 136.269 33.1884 -155.113 -219.004 -2.40735 40.3996 PRESSAVG: 4922200 -25.8924 -22.6981 -0.0181842 -22.6981 17.3804 -29.8697 -0.0182084 -29.8697 -39.7815 GPRESSAVG: 4922200 -25.1427 -25.3309 -1.03761 -22.2689 17.3262 -30.2636 1.0765 -28.5443 -40.1872 TIMING: 4922200 CPU: 15604.8, 0.00313057/step Wall: 15604.8, 0.00313057/step, 0.0676551 hours remaining, 239.527344 MB of memory in use. ENERGY: 4922200 3910.3292 20556.6328 14366.0104 252.0837 -203246.1016 2431.0254 0.0000 0.0000 52159.5420 -109570.4781 299.7616 -161730.0201 -109207.4870 299.3623 -62.1343 -30.1358 761031.3472 -16.0978 -16.0012 PRESSURE: 4922400 -192.339 -33.8321 62.4518 -33.8318 181.694 46.1516 62.4521 46.1522 37.4801 GPRESSURE: 4922400 -51.2667 -2.03941 -8.42235 -12.4021 131.029 83.2119 139.781 -43.9489 54.93 PRESSAVG: 4922400 -4.85489 -0.410441 3.70793 -0.410457 -4.5028 -37.04 3.70795 -37.0401 1.00153 GPRESSAVG: 4922400 -4.62681 0.10849 3.29077 -0.652776 -5.7881 -35.3951 1.74672 -38.5214 1.3709 TIMING: 4922400 CPU: 15605.4, 0.00315603/step Wall: 15605.4, 0.00315603/step, 0.0680301 hours remaining, 239.527344 MB of memory in use. ENERGY: 4922400 4019.5608 20577.5038 14389.5571 255.1132 -203241.3736 2334.3293 0.0000 0.0000 52185.1338 -109480.1756 299.9087 -161665.3094 -109120.0787 299.3501 8.9452 44.8974 760499.9200 -2.7854 -3.0147 PRESSURE: 4922600 -83.6749 29.0716 271.948 29.0726 -190.289 148.592 271.947 148.593 246.898 GPRESSURE: 4922600 -73.2345 93.4498 132.295 115.373 -153.689 107.464 131.676 99.6987 293.269 PRESSAVG: 4922600 -1.56386 -32.5295 1.65596 -32.5295 0.0247314 -43.5336 1.6559 -43.5336 -10.0237 GPRESSAVG: 4922600 -0.932489 -34.0197 2.0444 -30.2335 0.315056 -45.4905 3.90252 -42.3908 -10.558 TIMING: 4922600 CPU: 15606.1, 0.0031585/step Wall: 15606.1, 0.0031585/step, 0.0679077 hours remaining, 239.527344 MB of memory in use. ENERGY: 4922600 4004.9078 20538.1956 14441.7759 234.8895 -203330.5404 2319.7787 0.0000 0.0000 52266.5206 -109524.4723 300.3764 -161790.9929 -109170.7539 299.4585 -9.0221 22.1150 761361.3453 -3.8543 -3.7251 PRESSURE: 4922800 170.745 -127.305 -34.1369 -127.303 -91.1187 17.1464 -34.1362 17.1463 199.548 GPRESSURE: 4922800 181.373 -131.264 -6.01787 -68.9822 -37.1298 82.2685 -32.7225 84.1559 220.884 PRESSAVG: 4922800 10.416 40.7817 -32.7494 40.7816 -22.2584 -5.66443 -32.7493 -5.66444 -18.5023 GPRESSAVG: 4922800 9.96372 43.1042 -31.3364 40.5527 -21.6615 -4.77378 -33.863 -3.61713 -18.4955 TIMING: 4922800 CPU: 15606.7, 0.00314226/step Wall: 15606.7, 0.00314226/step, 0.067384 hours remaining, 239.527344 MB of memory in use. ENERGY: 4922800 3926.4821 20346.5279 14389.2343 250.5549 -203213.8164 2558.5484 0.0000 0.0000 52120.6689 -109621.7997 299.5382 -161742.4687 -109261.9571 299.2771 93.0581 121.7090 760893.4301 -10.1149 -10.0645 PRESSURE: 4923000 -331.106 -198.667 -29.8551 -198.666 -222.198 11.7335 -29.8551 11.7341 -95.4461 GPRESSURE: 4923000 -285.638 -189.723 87.9201 -216.364 -190.767 73.8575 -22.0929 -44.6144 -100.845 PRESSAVG: 4923000 -20.1849 51.009 -0.813154 51.009 -6.44481 29.955 -0.813162 29.9549 -7.52634 GPRESSAVG: 4923000 -20.2996 50.2114 -0.345922 50.3076 -6.57113 30.0667 -0.291088 26.8206 -7.28368 TIMING: 4923000 CPU: 15607.3, 0.00312244/step Wall: 15607.3, 0.00312244/step, 0.0667854 hours remaining, 239.527344 MB of memory in use. ENERGY: 4923000 3982.3224 20456.5802 14388.2849 240.9791 -203115.7081 2406.5743 0.0000 0.0000 52029.5378 -109611.4294 299.0145 -161640.9672 -109243.5384 299.5290 -216.2502 -192.4163 761545.1666 -11.3854 -11.3848 PRESSURE: 4923200 -79.8748 117.304 133.683 117.305 -90.0863 -90.223 133.683 -90.2222 145.291 GPRESSURE: 4923200 64.8637 98.4442 90.3541 45.909 -93.7204 -128.976 61.2735 -93.9396 70.9012 PRESSAVG: 4923200 -58.2564 24.012 3.75211 24.0121 13.9239 4.51036 3.7521 4.51038 5.69152 GPRESSAVG: 4923200 -57.7884 23.3865 3.64949 21.355 13.3201 4.58334 4.24214 5.87768 5.62179 TIMING: 4923200 CPU: 15608, 0.00311761/step Wall: 15608, 0.00311761/step, 0.066509 hours remaining, 239.527344 MB of memory in use. ENERGY: 4923200 4023.4397 20420.2180 14441.5629 230.4372 -203044.2424 2421.6999 0.0000 0.0000 51802.9773 -109703.9073 297.7124 -161506.8846 -109349.3130 299.1971 -8.2233 14.0149 760632.7076 -12.8803 -12.9488 PRESSURE: 4923400 -344.448 46.3595 -187.862 46.3599 -439.116 -115.938 -187.864 -115.937 -70.0524 GPRESSURE: 4923400 -346.509 -38.8076 -211.848 20.5675 -366.391 -168.233 -264.67 -220.887 -47.9761 PRESSAVG: 4923400 7.83276 -12.1591 -39.7963 -12.1591 -3.09727 -15.3539 -39.7963 -15.3539 18.8416 GPRESSAVG: 4923400 8.63377 -13.0533 -38.4962 -9.82431 -3.75932 -16.1847 -41.7996 -16.4481 18.518 TIMING: 4923400 CPU: 15608.6, 0.0031269/step Wall: 15608.6, 0.0031269/step, 0.0665335 hours remaining, 239.527344 MB of memory in use. ENERGY: 4923400 3948.7290 20724.1731 14430.8960 244.1524 -202996.0685 2057.5799 0.0000 0.0000 52044.1097 -109546.4283 299.0982 -161590.5380 -109187.5741 299.4695 -284.5388 -253.6254 761313.8470 7.8590 7.7975 PRESSURE: 4923600 -0.665496 77.0078 -6.80471 77.0083 -247.809 -238.885 -6.80488 -238.885 -190.755 GPRESSURE: 4923600 -24.1318 130.979 125.289 138.319 -195.476 -162.149 19.8996 -255.514 -135.872 PRESSAVG: 4923600 -48.7304 3.85855 -8.61178 3.85855 53.0462 8.77924 -8.6118 8.77925 -15.4654 GPRESSAVG: 4923600 -50.2098 7.1999 -8.26692 2.97314 53.6449 8.7784 -5.45898 10.0604 -14.3773 TIMING: 4923600 CPU: 15609.2, 0.0031251/step Wall: 15609.2, 0.0031251/step, 0.0663216 hours remaining, 239.527344 MB of memory in use. ENERGY: 4923600 3919.2833 20605.0441 14458.5350 265.0098 -203209.1616 2378.6898 0.0000 0.0000 51923.1312 -109659.4683 298.4029 -161582.5995 -109295.7063 299.6516 -146.4097 -118.4934 760078.0818 -3.7166 -3.6474 PRESSURE: 4923800 51.8198 39.3557 -71.7916 39.3563 -334.697 -99.2624 -71.792 -99.2616 173.531 GPRESSURE: 4923800 64.3331 1.79915 -70.2488 -173.82 -293.724 -145.636 -24.1163 -93.2502 209.374 PRESSAVG: 4923800 -39.92 -30.5189 20.5408 -30.5189 48.9364 17.7043 20.5408 17.7043 5.35426 GPRESSAVG: 4923800 -38.9484 -34.4555 17.6199 -30.5587 49.3744 17.1659 20.5136 17.4544 4.24186 TIMING: 4923800 CPU: 15609.8, 0.00311069/step Wall: 15609.8, 0.00311069/step, 0.065843 hours remaining, 239.527344 MB of memory in use. ENERGY: 4923800 3973.8509 20579.1875 14382.0711 256.1427 -203196.6790 2368.0509 0.0000 0.0000 52032.5856 -109604.7903 299.0320 -161637.3759 -109261.1972 299.5630 -36.4489 -6.6726 759462.4674 4.7902 4.8893 PRESSURE: 4924000 372.01 -7.58692 184.825 -7.5858 108.946 -142.404 184.825 -142.404 392.277 GPRESSURE: 4924000 342.07 -39.3469 122.312 -100.392 182.735 -55.8714 209.426 -168.408 430.928 PRESSAVG: 4924000 59.1891 -63.2147 3.44586 -63.2148 -52.4961 28.4856 3.44579 28.4857 6.81074 GPRESSAVG: 4924000 58.4693 -61.2909 4.63836 -62.3462 -51.7751 28.928 3.07873 26.9933 7.15137 TIMING: 4924000 CPU: 15610.5, 0.0031123/step Wall: 15610.5, 0.0031123/step, 0.0657042 hours remaining, 239.527344 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: 4924000 3951.8824 20468.7724 14451.2885 261.3194 -203455.1121 2437.3463 0.0000 0.0000 52131.1869 -109753.3163 299.5986 -161884.5032 -109398.0308 299.5715 291.0777 318.5772 756953.8232 4.5012 4.6152 PRESSURE: 4924200 -340.216 143.034 111.52 143.034 331.317 -191.742 111.52 -191.743 -473.644 GPRESSURE: 4924200 -197.97 91.2709 141.413 74.7619 266.101 -141.203 81.3469 -206.455 -458.806 PRESSAVG: 4924200 -18.5668 -32.261 2.93869 -32.261 42.6261 8.83648 2.93864 8.83649 1.49101 GPRESSAVG: 4924200 -17.8335 -32.734 2.81556 -33.0747 42.6806 7.51685 3.64546 10.2363 0.641714 TIMING: 4924200 CPU: 15611.1, 0.00310441/step Wall: 15611.1, 0.00310441/step, 0.0653651 hours remaining, 239.527344 MB of memory in use. ENERGY: 4924200 4038.5205 20568.9753 14375.9507 259.1009 -204018.8729 2703.1237 0.0000 0.0000 52184.6339 -109888.5679 299.9058 -162073.2018 -109522.2756 299.2797 -160.8475 -130.2251 758250.5646 8.5168 8.4963 LDB: ============= START OF LOAD BALANCING ============== 15623.5 LDB: ============== END OF LOAD BALANCING =============== 15623.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15623.5 LDB: ============= START OF LOAD BALANCING ============== 15623.8 LDB: Largest compute 7045 load 0.034129 is 17.5% of average load 0.195488 LDB: Average compute 0.004401 is 2.3% of average load 0.195488 LDB: TIME 15623.8 LOAD: AVG 0.195488 MAX 0.216994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15623.8 LOAD: AVG 0.195488 MAX 0.216994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: TIME 15623.8 LOAD: AVG 0.195488 MAX 0.216994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.551 MB LDB: ============== END OF LOAD BALANCING =============== 15623.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15623.8 PRESSURE: 4924400 -231.45 -138.896 0.0150704 -138.896 -11.5196 342.229 0.0143285 342.229 -92.7499 GPRESSURE: 4924400 -216.328 -141.245 43.0306 -165.218 -17.9606 251.516 82.4223 303.446 -13.224 PRESSAVG: 4924400 -38.2447 -28.942 16.6491 -28.942 8.32196 -3.64965 16.6491 -3.64966 4.61504 GPRESSAVG: 4924400 -38.0511 -29.6535 16.4784 -28.9332 7.0138 -1.50092 15.5628 -4.62839 5.37523 TIMING: 4924400 CPU: 15611.7, 0.00319248/step Wall: 15611.7, 0.00319248/step, 0.0670421 hours remaining, 240.039062 MB of memory in use. ENERGY: 4924400 4016.1999 20476.7887 14458.2876 230.9950 -203604.2307 2540.8936 0.0000 0.0000 52037.9159 -109843.1500 299.0626 -161881.0660 -109478.0598 299.3322 -111.9066 -82.5042 758691.1629 -8.4359 -8.5540 PRESSURE: 4924600 413.083 198.637 255.933 198.637 20.5051 300.128 255.933 300.128 38.161 GPRESSURE: 4924600 402.998 168.057 274.58 208.037 71.8096 197.558 182.333 187.723 61.3126 PRESSAVG: 4924600 -8.57882 3.71129 -8.49441 3.71127 28.4809 24.7429 -8.49442 24.7429 -1.8804 GPRESSAVG: 4924600 -8.98138 2.65601 -7.60402 4.49785 27.8965 23.9995 -10.9696 26.0143 -1.59629 TIMING: 4924600 CPU: 15612.3, 0.00313269/step Wall: 15612.3, 0.00313269/step, 0.0656124 hours remaining, 240.039062 MB of memory in use. ENERGY: 4924600 4000.4130 20478.1263 14491.9745 234.8825 -203753.6548 2805.9709 0.0000 0.0000 51995.3368 -109746.9509 298.8179 -161742.2878 -109385.0111 299.2160 157.2497 178.7067 757845.5450 6.0072 5.7730 PRESSURE: 4924800 -247.404 -106.122 -44.3089 -106.122 -299.175 46.8503 -44.309 46.8497 -284.046 GPRESSURE: 4924800 -151.677 -64.4544 -87.5353 -23.1944 -254.928 70.4695 122.855 -7.03238 -338.869 PRESSAVG: 4924800 21.5383 -36.3209 19.4274 -36.3209 10.3044 1.46302 19.4274 1.46293 18.4917 GPRESSAVG: 4924800 21.6095 -35.8292 18.8958 -32.8527 11.7245 1.16093 22.3151 1.23998 17.946 TIMING: 4924800 CPU: 15613, 0.00312727/step Wall: 15613, 0.00312727/step, 0.0653252 hours remaining, 240.039062 MB of memory in use. ENERGY: 4924800 4034.1374 20563.2072 14426.4255 217.9839 -203568.0339 2540.3181 0.0000 0.0000 51925.8439 -109860.1179 298.4185 -161785.9618 -109501.6982 298.8611 -276.8750 -248.4913 760351.1131 16.7781 17.0933 PRESSURE: 4925000 -68.7106 -56.4723 102.568 -56.4718 163.193 -187.691 102.567 -187.692 235.549 GPRESSURE: 4925000 68.4581 -136.565 120.277 -17.71 141.374 -130.284 13.4103 -183.014 205.823 PRESSAVG: 4925000 -16.6647 1.66712 57.3742 1.66719 38.223 1.63577 57.3741 1.63576 -11.9032 GPRESSAVG: 4925000 -17.4581 2.17771 58.0026 -1.51811 37.5904 3.30887 57.6763 0.114008 -11.1163 TIMING: 4925000 CPU: 15613.6, 0.00312407/step Wall: 15613.6, 0.00312407/step, 0.0650848 hours remaining, 240.039062 MB of memory in use. ENERGY: 4925000 3987.6424 20703.8875 14455.0409 251.3413 -203510.4054 2414.4699 0.0000 0.0000 51929.5387 -109768.4846 298.4398 -161698.0233 -109417.9870 298.9897 110.0104 138.5518 759836.4573 3.2183 3.0053 PRESSURE: 4925200 -42.7199 120.891 217.456 120.892 -23.6562 238.815 217.456 238.816 -23.3699 GPRESSURE: 4925200 160.039 65.3077 99.0418 91.9635 -109.944 193.473 172.772 251.085 -20.8665 PRESSAVG: 4925200 22.3104 6.03086 29.5985 6.03086 7.62685 13.0132 29.5985 13.0132 11.6663 GPRESSAVG: 4925200 23.6725 3.39162 30.4635 7.81754 7.8481 11.6232 27.7042 14.6858 10.338 TIMING: 4925200 CPU: 15614.2, 0.00313555/step Wall: 15614.2, 0.00313555/step, 0.0651497 hours remaining, 240.039062 MB of memory in use. ENERGY: 4925200 3965.8607 20360.3137 14439.7084 243.8512 -203539.8253 2620.1903 0.0000 0.0000 52066.3011 -109843.5999 299.2257 -161909.9010 -109481.7164 299.0973 -29.9153 9.7428 760843.1486 13.8678 13.9529 PRESSURE: 4925400 526.959 158.804 247.873 158.805 400.342 175.583 247.873 175.583 -701.992 GPRESSURE: 4925400 493.689 129.037 276.918 128.87 451.55 74.5715 194.523 20.2198 -604.859 PRESSAVG: 4925400 -8.78884 -13.0379 38.0963 -13.0379 9.91554 39.7024 38.0963 39.7024 11.2943 GPRESSAVG: 4925400 -9.71967 -9.87279 37.1802 -14.6996 10.1287 39.1002 40.4999 39.7282 12.453 TIMING: 4925400 CPU: 15614.8, 0.0031247/step Wall: 15614.8, 0.0031247/step, 0.0647508 hours remaining, 240.039062 MB of memory in use. ENERGY: 4925400 3986.6233 20350.2870 14375.8601 261.4228 -203611.1539 2492.5339 0.0000 0.0000 52224.1177 -109920.3091 300.1327 -162144.4268 -109562.5801 299.2238 75.1032 113.4600 758530.0582 4.1403 4.2873 PRESSURE: 4925600 -130.235 119.459 -64.7562 119.459 -3.7858 -158.156 -64.7563 -158.155 -129.213 GPRESSURE: 4925600 -136.521 164.242 -7.68836 79.119 69.7728 -172.457 73.0237 -109.152 -111.769 PRESSAVG: 4925600 -49.4003 73.9964 20.3427 73.9963 45.2655 -8.106 20.3428 -8.10598 -20.5114 GPRESSAVG: 4925600 -48.3409 73.0437 19.9506 74.1127 45.6878 -7.64411 20.0107 -7.6934 -21.9418 TIMING: 4925600 CPU: 15615.5, 0.00311953/step Wall: 15615.5, 0.00311953/step, 0.0644702 hours remaining, 240.039062 MB of memory in use. ENERGY: 4925600 3987.0761 20437.8825 14485.6105 253.0085 -203834.0014 2698.2190 0.0000 0.0000 52061.9912 -109910.2136 299.2010 -161972.2048 -109542.2258 298.9110 -87.7446 -59.5057 760054.2381 -8.2154 -8.1983 PRESSURE: 4925800 -208.108 -118.869 -20.964 -118.87 -88.6566 14.1296 -20.9639 14.1296 -5.09848 GPRESSURE: 4925800 -120.766 -52.3291 -74.6566 -94.6414 -92.5166 -48.6123 -44.993 55.1327 0.489149 PRESSAVG: 4925800 -11.6199 28.7252 26.6362 28.7252 -20.328 23.9336 26.6362 23.9336 -28.4688 GPRESSAVG: 4925800 -13.0642 30.2832 26.3791 27.3538 -20.2834 22.55 26.7328 24.6624 -27.4398 TIMING: 4925800 CPU: 15616.1, 0.00311743/step Wall: 15616.1, 0.00311743/step, 0.0642536 hours remaining, 240.039062 MB of memory in use. ENERGY: 4925800 3922.9430 20543.4226 14420.1710 224.4793 -203640.2654 2722.2305 0.0000 0.0000 52051.7179 -109755.3011 299.1419 -161807.0190 -109399.1200 299.0766 -100.6211 -70.9311 760274.2643 -20.1389 -20.2625 PRESSURE: 4926000 -196.152 33.9908 -162.398 33.9901 -317.461 -78.0343 -162.398 -78.034 -172.526 GPRESSURE: 4926000 -134.482 18.6395 -211.798 -83.6948 -313.745 -68.1421 40.1454 -81.2976 -156.391 PRESSAVG: 4926000 34.2726 -4.8355 -11.724 -4.83547 -34.4713 25.848 -11.724 25.848 28.243 GPRESSAVG: 4926000 34.8938 -5.48594 -13.635 -3.38163 -35.7125 27.2524 -10.8443 25.1018 29.0356 TIMING: 4926000 CPU: 15616.7, 0.003145/step Wall: 15616.7, 0.003145/step, 0.0646473 hours remaining, 240.039062 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: 4926000 4000.7264 20441.3022 14532.7213 261.4440 -203078.6153 1996.4256 0.0000 0.0000 52063.3989 -109782.5970 299.2091 -161845.9959 -109410.7308 299.2142 -228.7129 -201.5393 761402.5947 9.3481 9.4056 PRESSURE: 4926200 -314.559 72.4265 5.76874 72.427 174.347 -62.4094 5.76872 -62.4099 -151.575 GPRESSURE: 4926200 -189.787 107.722 13.3674 -17.2805 148.09 -103.36 0.199175 -59.831 -167.916 PRESSAVG: 4926200 -0.763128 -15.7902 24.6085 -15.7902 -15.6592 -28.776 24.6085 -28.776 -20.8054 GPRESSAVG: 4926200 -1.2542 -15.4814 26.7786 -18.1134 -14.7335 -29.4682 24.013 -28.1557 -21.8349 TIMING: 4926200 CPU: 15617.4, 0.00316279/step Wall: 15617.4, 0.00316279/step, 0.0648372 hours remaining, 240.039062 MB of memory in use. ENERGY: 4926200 3957.3280 20575.1973 14465.9237 259.1049 -203564.5785 2496.6497 0.0000 0.0000 52112.7366 -109697.6382 299.4926 -161810.3749 -109335.3486 299.2649 -97.2620 -69.8712 760503.4080 -12.4092 -12.6075 PRESSURE: 4926400 68.9906 -117.649 101.688 -117.649 -40.6314 179.819 101.688 179.818 -13.672 GPRESSURE: 4926400 159.751 -66.888 145.834 -120.898 -33.9993 179.319 145.66 204.623 -25.8807 PRESSAVG: 4926400 -16.358 -14.4815 -8.72448 -14.4815 3.14121 -19.7569 -8.72452 -19.7569 20.1696 GPRESSAVG: 4926400 -15.4789 -15.372 -9.07552 -11.9672 2.6424 -19.9663 -7.75674 -22.1636 20.0479 TIMING: 4926400 CPU: 15618, 0.00315116/step Wall: 15618, 0.00315116/step, 0.0644236 hours remaining, 240.039062 MB of memory in use. ENERGY: 4926400 3917.1730 20668.2495 14371.4538 246.4193 -203507.1963 2728.9848 0.0000 0.0000 51926.5463 -109648.3697 298.4226 -161574.9160 -109290.8366 299.6082 4.8957 33.2902 760836.6188 2.3176 2.4038 PRESSURE: 4926600 128.17 83.3665 45.1007 83.3664 -102.309 -131.664 45.1011 -131.664 -85.3205 GPRESSURE: 4926600 171.692 96.8049 46.3977 85.8509 -75.348 -73.8468 217.954 -55.1825 -76.9909 PRESSAVG: 4926600 -4.24299 -29.349 -2.3362 -29.349 -14.3873 -25.6903 -2.33624 -25.6902 -1.20601 GPRESSAVG: 4926600 -4.45578 -27.4361 -3.88277 -29.8865 -14.1127 -25.8046 -3.21827 -22.9241 -1.47026 TIMING: 4926600 CPU: 15618.6, 0.00313914/step Wall: 15618.6, 0.00313914/step, 0.0640035 hours remaining, 240.039062 MB of memory in use. ENERGY: 4926600 4025.0620 20566.0137 14423.2379 271.7451 -203759.5870 2658.7365 0.0000 0.0000 52176.6635 -109638.1284 299.8600 -161814.7919 -109278.3389 299.9500 -19.8200 6.4510 758524.5369 -6.6121 -6.6796 PRESSURE: 4926800 146.389 -333.684 205.188 -333.684 311.216 -111.226 205.187 -111.227 232.955 GPRESSURE: 4926800 270.464 -205.805 135.899 -351.814 243.928 -197.409 276.106 -50.9033 253.333 PRESSAVG: 4926800 -14.7067 -31.2782 0.830258 -31.2782 8.75327 -9.16293 0.830262 -9.16287 -4.55906 GPRESSAVG: 4926800 -14.1459 -31.1548 2.25877 -31.405 8.64862 -8.15858 1.08215 -9.77846 -4.96529 TIMING: 4926800 CPU: 15619.2, 0.00314086/step Wall: 15619.2, 0.00314086/step, 0.0638642 hours remaining, 240.039062 MB of memory in use. ENERGY: 4926800 3949.6079 20385.4469 14557.6032 260.3291 -203307.8935 2473.9095 0.0000 0.0000 51970.9451 -109710.0517 298.6777 -161680.9968 -109352.3294 299.4165 230.1868 255.9082 758999.9666 -3.5042 -3.4875 PRESSURE: 4927000 112.478 -146.876 -59.0151 -146.876 246.888 45.5364 -59.0151 45.5365 -27.5558 GPRESSURE: 4927000 118.535 -221.562 28.6446 -121.53 314.748 39.8016 -22.5656 -51.8224 -13.3886 PRESSAVG: 4927000 33.8015 -97.2969 17.1222 -97.297 -33.4206 59.6917 17.1222 59.6917 0.871749 GPRESSAVG: 4927000 32.7703 -97.8398 18.7908 -97.0105 -32.8259 57.8943 14.7303 58.9353 0.937082 TIMING: 4927000 CPU: 15619.9, 0.00312858/step Wall: 15619.9, 0.00312858/step, 0.0634407 hours remaining, 240.039062 MB of memory in use. ENERGY: 4927000 4034.5096 20538.6602 14465.0327 254.0407 -203676.5127 2743.2667 0.0000 0.0000 51896.8997 -109744.1030 298.2522 -161641.0027 -109387.1752 299.4308 110.6034 139.9647 760151.2940 0.4175 0.2938 PRESSURE: 4927200 -17.4008 -32.1199 -36.356 -32.1194 43.044 -123.615 -36.3553 -123.616 -38.3517 GPRESSURE: 4927200 -49.3999 -59.6867 -9.173 -80.5965 61.144 -125.385 60.737 -129.42 61.7684 PRESSAVG: 4927200 -6.72737 -16.9422 -0.817122 -16.9422 -25.0684 -28.9255 -0.817053 -28.9254 25.5178 GPRESSAVG: 4927200 -7.27321 -18.1013 -1.76634 -19.2486 -25.6278 -27.6295 1.1323 -28.4332 26.4021 TIMING: 4927200 CPU: 15620.5, 0.00312824/step Wall: 15620.5, 0.00312824/step, 0.0632599 hours remaining, 240.039062 MB of memory in use. ENERGY: 4927200 4005.1079 20478.8417 14414.8695 242.4486 -203372.9578 2534.1345 0.0000 0.0000 51746.9876 -109950.5680 297.3906 -161697.5556 -109590.3830 299.3761 -4.2362 24.5042 759522.1162 -2.0926 -2.1663 PRESSURE: 4927400 -290.553 27.5344 221.822 27.5344 -295.626 92.0804 221.822 92.0805 -150.292 GPRESSURE: 4927400 -186.135 -43.6583 141.788 -27.3067 -295.51 83.724 288.996 189.891 -152.846 PRESSAVG: 4927400 5.28004 -52.8035 29.1438 -52.8035 31.102 -4.55327 29.1439 -4.55333 -11.8736 GPRESSAVG: 4927400 6.97099 -53.7419 27.3689 -49.782 31.0424 -5.45961 30.4555 -5.30314 -13.0022 TIMING: 4927400 CPU: 15621.1, 0.0031138/step Wall: 15621.1, 0.0031138/step, 0.0627949 hours remaining, 240.039062 MB of memory in use. ENERGY: 4927400 3983.0816 20700.4392 14413.3705 263.3249 -203382.7229 2091.8558 0.0000 0.0000 52028.9491 -109901.7017 299.0111 -161930.6508 -109540.6479 299.1405 -245.4903 -211.4968 760128.0375 8.1695 8.3371 PRESSURE: 4927600 174.856 -190.3 -94.3404 -190.299 379.031 89.6178 -94.341 89.6175 237.394 GPRESSURE: 4927600 189.475 -98.5272 -86.7852 -234.1 465.422 33.2115 -8.39453 92.1641 210.552 PRESSAVG: 4927600 -10.3735 -33.8881 34.2585 -33.888 -21.8671 -3.39272 34.2585 -3.39275 -9.62547 GPRESSAVG: 4927600 -11.8933 -31.9592 35.3045 -34.3355 -22.4479 -3.20303 32.5415 -3.43996 -7.94828 TIMING: 4927600 CPU: 15621.7, 0.0031342/step Wall: 15621.7, 0.0031342/step, 0.0630323 hours remaining, 240.039062 MB of memory in use. ENERGY: 4927600 3899.5321 20672.4266 14429.2763 255.4272 -203641.7894 2668.5829 0.0000 0.0000 52043.5401 -109673.0041 299.0949 -161716.5441 -109311.5169 298.7599 263.7601 288.4830 760483.7927 -13.9554 -14.0965 PRESSURE: 4927800 -36.7726 -68.5659 -31.9324 -68.5658 175.211 96.1591 -31.9334 96.1597 552.38 GPRESSURE: 4927800 13.4037 -59.2471 -48.2909 50.3459 243.559 228.979 -65.2046 75.3718 512.055 PRESSAVG: 4927800 38.595 -35.9039 -39.1118 -35.904 -27.2547 18.668 -39.1118 18.668 12.1909 GPRESSAVG: 4927800 37.9291 -37.1836 -38.913 -35.7368 -26.4724 20.1904 -39.5738 18.5493 11.8989 TIMING: 4927800 CPU: 15622.4, 0.00313454/step Wall: 15622.4, 0.00313454/step, 0.0628649 hours remaining, 240.039062 MB of memory in use. ENERGY: 4927800 4010.1235 20546.1669 14407.2881 248.5313 -203697.8205 2560.9026 0.0000 0.0000 52160.9993 -109763.8088 299.7700 -161924.8081 -109397.9297 299.3114 230.2728 256.3391 758201.3991 7.8437 7.7852 PRESSURE: 4928000 -63.9867 126.218 34.5822 126.218 7.15948 13.5789 34.5815 13.5792 45.4219 GPRESSURE: 4928000 -7.97557 110.056 -27.3154 131.626 49.6436 67.3649 30.0907 146.237 16.02 PRESSAVG: 4928000 -3.20692 -45.9411 -16.9722 -45.9411 -20.1503 7.7128 -16.9721 7.71277 8.52253 GPRESSAVG: 4928000 -2.44863 -44.319 -18.7448 -45.5316 -19.8344 6.40729 -16.4736 7.3763 7.16963 TIMING: 4928000 CPU: 15623, 0.00313997/step Wall: 15623, 0.00313997/step, 0.0627994 hours remaining, 240.039062 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: 4928000 3934.8757 20582.9079 14339.0969 251.1381 -203047.7798 2062.3202 0.0000 0.0000 52021.6436 -109855.7974 298.9691 -161877.4410 -109488.6787 299.1472 -3.8018 19.2293 759420.6722 -4.9449 -5.0378 PRESSURE: 4928200 28.7257 -119.046 -37.6513 -119.045 -556.307 153.136 -37.6518 153.136 112.42 GPRESSURE: 4928200 74.1791 64.2248 -73.24 -166.659 -546.391 102.515 -0.660923 28.5673 140.32 PRESSAVG: 4928200 -45.1153 7.07345 40.764 7.0734 11.848 28.326 40.764 28.326 -24.2398 GPRESSAVG: 4928200 -45.6347 6.24918 42.1032 5.93295 10.6629 26.547 41.3561 29.3613 -23.0035 TIMING: 4928200 CPU: 15623.6, 0.00312565/step Wall: 15623.6, 0.00312565/step, 0.0623394 hours remaining, 240.039062 MB of memory in use. ENERGY: 4928200 4039.2366 20253.0027 14445.1301 262.7046 -203229.1007 2043.0904 0.0000 0.0000 52326.7125 -109859.2237 300.7223 -162185.9362 -109485.0752 299.0901 -138.3870 -110.6304 759484.7098 -19.1690 -19.3251 LDB: ============= START OF LOAD BALANCING ============== 15636.1 LDB: ============== END OF LOAD BALANCING =============== 15636.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15636.1 LDB: ============= START OF LOAD BALANCING ============== 15636.4 LDB: Largest compute 7045 load 0.032574 is 16.7% of average load 0.195540 LDB: Average compute 0.004396 is 2.2% of average load 0.195540 LDB: TIME 15636.4 LOAD: AVG 0.19554 MAX 0.218102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.016 MB LDB: TIME 15636.4 LOAD: AVG 0.19554 MAX 0.218102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.02 MB LDB: TIME 15636.4 LOAD: AVG 0.19554 MAX 0.218102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.02 MB LDB: ============== END OF LOAD BALANCING =============== 15636.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15636.4 PRESSURE: 4928400 24.0074 -38.2159 -2.05231 -38.216 -116.886 31.0259 -2.05237 31.0262 150.101 GPRESSURE: 4928400 -8.50978 28.434 -36.0437 -79.9608 -47.0204 24.0129 27.3293 51.6051 188.615 PRESSAVG: 4928400 15.3673 -43.912 -3.48407 -43.912 -24.0519 12.1068 -3.48412 12.1068 -19.0378 GPRESSAVG: 4928400 15.509 -43.1841 -4.88945 -43.6444 -24.7538 13.8896 -4.4591 12.4841 -19.014 TIMING: 4928400 CPU: 15624.3, 0.00318643/step Wall: 15624.3, 0.00318643/step, 0.0633745 hours remaining, 240.296875 MB of memory in use. ENERGY: 4928400 3955.6163 20560.6722 14420.2517 226.2745 -203266.1183 2284.8451 0.0000 0.0000 51788.3726 -110030.0859 297.6285 -161818.4586 -109667.2517 298.9468 19.0742 44.3617 759084.7631 -9.2408 -9.4196 PRESSURE: 4928600 -17.7113 -155.976 12.8133 -155.976 38.4282 168.964 12.8136 168.963 51.1716 GPRESSURE: 4928600 15.6629 -234.296 27.2003 -239.469 24.6255 149.366 59.1132 191.444 96.3779 PRESSAVG: 4928600 18.0209 -50.5975 -44.1075 -50.5976 29.5652 -30.8816 -44.1075 -30.8816 5.81161 GPRESSAVG: 4928600 18.681 -50.7968 -42.7412 -51.8148 28.7649 -31.1128 -42.6467 -31.7892 6.50887 TIMING: 4928600 CPU: 15624.9, 0.0031231/step Wall: 15624.9, 0.0031231/step, 0.0619415 hours remaining, 240.296875 MB of memory in use. ENERGY: 4928600 3984.1926 20527.6454 14408.9003 232.2369 -203555.3502 2317.3572 0.0000 0.0000 51877.9968 -110207.0209 298.1436 -162085.0177 -109842.6725 298.7899 23.9629 45.5554 758262.5795 17.7992 17.9849 PRESSURE: 4928800 156.72 108.285 -123.181 108.285 20.265 -70.6885 -123.182 -70.6882 90.4003 GPRESSURE: 4928800 165.723 17.2299 -138.173 49.2194 136.175 -4.58453 -52.4181 -48.4281 53.2766 PRESSAVG: 4928800 6.41622 -16.5958 -27.9828 -16.5958 21.9706 30.9658 -27.9829 30.9657 18.4255 GPRESSAVG: 4928800 5.83574 -16.4398 -27.7256 -16.8219 23.3599 31.1962 -29.286 30.9473 17.6095 TIMING: 4928800 CPU: 15625.5, 0.003116/step Wall: 15625.5, 0.003116/step, 0.0616275 hours remaining, 240.296875 MB of memory in use. ENERGY: 4928800 3984.3466 20327.1501 14397.5847 216.8906 -204136.1670 2759.5522 0.0000 0.0000 52237.5409 -110213.1018 300.2099 -162450.6427 -109839.6788 298.2991 89.1285 118.3914 759878.7521 15.6041 15.6017 PRESSURE: 4929000 -98.7361 -186.69 -16.3091 -186.69 292.114 -90.3326 -16.3092 -90.3327 -64.7534 GPRESSURE: 4929000 24.8771 -196.55 -43.98 -198.085 226.112 -71.759 -29.3127 -122.38 -36.8892 PRESSAVG: 4929000 21.8625 -64.074 64.5127 -64.0741 10.139 41.4021 64.5126 41.4021 5.3546 GPRESSAVG: 4929000 22.3621 -65.8043 64.374 -61.9035 9.65769 39.9475 64.9289 41.6516 5.50484 TIMING: 4929000 CPU: 15626.1, 0.00311496/step Wall: 15626.1, 0.00311496/step, 0.061434 hours remaining, 240.296875 MB of memory in use. ENERGY: 4929000 3989.9813 20614.7277 14409.7061 222.9757 -203677.0077 2591.0726 0.0000 0.0000 51868.7740 -109979.7703 298.0906 -161848.5444 -109617.7531 297.9007 42.8748 71.3665 758544.0695 12.4520 12.5082 PRESSURE: 4929200 -45.9714 -211.026 -112.724 -211.027 -250.908 27.5817 -112.724 27.5805 8.81369 GPRESSURE: 4929200 -17.3448 -209.89 -132.938 -293.551 -207.502 17.6449 -212.508 57.1875 35.5073 PRESSAVG: 4929200 22.063 -87.1272 -14.5103 -87.1272 -11.4495 9.26742 -14.5103 9.26739 13.4812 GPRESSAVG: 4929200 21.8012 -85.8677 -13.6087 -89.3931 -10.2385 10.5793 -16.3775 9.19692 12.5393 TIMING: 4929200 CPU: 15626.8, 0.00312437/step Wall: 15626.8, 0.00312437/step, 0.061446 hours remaining, 240.296875 MB of memory in use. ENERGY: 4929200 3999.2190 20573.8979 14505.6782 251.4242 -203732.7962 2385.9737 0.0000 0.0000 52044.1540 -109972.4492 299.0985 -162016.6032 -109617.1121 298.7737 -96.0219 -63.1132 759240.3457 8.0316 8.0340 PRESSURE: 4929400 -3.53649 115.221 77.4146 115.221 -138.565 64.5888 77.4142 64.5893 107.885 GPRESSURE: 4929400 18.4201 94.7628 75.6763 181.457 -55.9596 71.4248 110.047 -67.7216 75.0153 PRESSAVG: 4929400 -12.7062 -10.5198 -12.93 -10.5197 41.985 33.4893 -12.93 33.4893 10.6131 GPRESSAVG: 4929400 -11.8022 -12.1246 -13.9613 -6.1303 41.1287 31.8376 -11.457 32.341 11.2281 TIMING: 4929400 CPU: 15627.4, 0.00312141/step Wall: 15627.4, 0.00312141/step, 0.0612142 hours remaining, 240.296875 MB of memory in use. ENERGY: 4929400 3973.8154 20570.3113 14424.8265 251.4713 -203594.2054 2490.9403 0.0000 0.0000 52112.4583 -109770.3822 299.4910 -161882.8405 -109414.4408 299.2734 -11.4055 12.4919 760476.0220 13.2973 13.5182 PRESSURE: 4929600 -169.801 88.9896 78.2637 88.9898 -133.568 17.0156 78.2639 17.0171 -34.2897 GPRESSURE: 4929600 -177.817 174.498 32.2268 -25.6544 -108.468 117.889 98.8836 -25.3496 25.7348 PRESSAVG: 4929600 -24.9972 -18.381 -49.345 -18.3809 30.9085 0.228451 -49.345 0.228484 -3.71716 GPRESSAVG: 4929600 -24.791 -16.0899 -49.2373 -20.8842 30.8507 0.344453 -49.4394 1.9199 -3.73687 TIMING: 4929600 CPU: 15628, 0.00314111/step Wall: 15628, 0.00314112/step, 0.0614262 hours remaining, 240.296875 MB of memory in use. ENERGY: 4929600 4004.7937 20585.7305 14405.2838 263.4562 -203396.3793 2549.2277 0.0000 0.0000 51784.0168 -109803.8706 297.6035 -161587.8874 -109454.6861 298.9157 -112.5531 -86.8499 761496.2511 0.7314 0.7743 PRESSURE: 4929800 -264.025 91.1606 36.0794 91.1604 6.3511 -157.555 36.0793 -157.554 88.7121 GPRESSURE: 4929800 -157.882 -2.13237 69.3452 97.7808 27.6056 -81.5151 -3.26197 -119.477 39.1824 PRESSAVG: 4929800 -22.8534 -66.9796 -25.9819 -66.9795 98.8559 -0.417101 -25.9819 -0.417195 14.9516 GPRESSAVG: 4929800 -23.4951 -67.0363 -25.4508 -66.953 99.7444 0.125423 -26.5613 -0.997141 15.0639 TIMING: 4929800 CPU: 15628.6, 0.00312633/step Wall: 15628.6, 0.00312633/step, 0.0609635 hours remaining, 240.296875 MB of memory in use. ENERGY: 4929800 3951.2473 20646.0475 14377.2461 263.6993 -203829.0070 2687.5242 0.0000 0.0000 52053.4270 -109849.8156 299.1518 -161903.2427 -109487.1845 298.6026 -56.3207 -30.3647 761029.9642 30.3180 30.4377 PRESSURE: 4930000 177.527 -193.493 -59.9482 -193.493 -70.6739 -68.7612 -59.9483 -68.7609 -56.2988 GPRESSURE: 4930000 194.924 -272.699 13.6959 -107.461 29.3388 -129.563 27.9053 -3.55743 -77.9231 PRESSAVG: 4930000 24.113 -21.0052 -7.25345 -21.0052 -64.6345 30.0857 -7.25339 30.0857 -21.5199 GPRESSAVG: 4930000 22.7852 -21.3667 -6.36245 -21.2178 -63.3065 28.1165 -7.10871 29.9853 -21.9026 TIMING: 4930000 CPU: 15629.3, 0.00312547/step Wall: 15629.3, 0.00312547/step, 0.060773 hours remaining, 240.296875 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: 4930000 4055.2523 20594.1379 14399.2984 234.8990 -203695.7908 2692.5506 0.0000 0.0000 51856.1101 -109863.5424 298.0178 -161719.6525 -109507.9869 298.5974 16.8513 48.7799 760852.8394 -20.6805 -20.8080 PRESSURE: 4930200 -33.5054 -54.9421 294.52 -54.9433 -161.998 156.656 294.52 156.656 203.609 GPRESSURE: 4930200 -6.62773 -104.24 265.035 -8.28271 -80.7541 69.8116 256.797 34.9495 165.633 PRESSAVG: 4930200 60.4461 9.35132 0.784996 9.35128 -23.0055 -6.20443 0.78494 -6.20446 3.25631 GPRESSAVG: 4930200 61.3516 10.378 -0.907006 9.76665 -23.3221 -3.6582 4.25487 -7.22352 2.53652 TIMING: 4930200 CPU: 15629.9, 0.00311346/step Wall: 15629.9, 0.00311346/step, 0.0603666 hours remaining, 240.296875 MB of memory in use. ENERGY: 4930200 3981.5214 20443.9945 14462.4933 236.6373 -203565.7180 2638.2812 0.0000 0.0000 51865.0624 -109937.7277 298.0692 -161802.7902 -109584.2420 298.9404 2.7017 26.0836 760966.9954 13.5656 13.5220 PRESSURE: 4930400 -213.759 153.523 -25.2339 153.522 176.013 -196.06 -25.2337 -196.06 63.3031 GPRESSURE: 4930400 -155.768 125.024 -54.9189 114.989 198.175 -169.277 29.3578 -99.6268 72.1486 PRESSAVG: 4930400 35.2172 -18.4305 -8.32412 -18.4304 1.28071 -38.2134 -8.32418 -38.2134 3.14549 GPRESSAVG: 4930400 34.3183 -21.7459 -9.20398 -19.1972 1.44956 -39.3522 -11.1473 -37.1879 3.20018 TIMING: 4930400 CPU: 15630.5, 0.0031083/step Wall: 15630.5, 0.0031083/step, 0.0600939 hours remaining, 240.296875 MB of memory in use. ENERGY: 4930400 3956.3265 20449.5508 14441.4272 244.2572 -203612.3971 2607.0011 0.0000 0.0000 51954.1021 -109959.7323 298.5809 -161913.8343 -109594.1819 298.7609 8.5190 38.1852 759993.3497 13.2145 12.9893 PRESSURE: 4930600 -50.9956 -164.032 295.029 -164.031 -101.649 -35.0975 295.029 -35.0962 -28.6989 GPRESSURE: 4930600 18.8507 -177.91 206.859 -71.3084 -89.8679 8.54135 280.439 -22.442 -23.983 PRESSAVG: 4930600 25.0549 -63.8428 -40.996 -63.8428 38.1321 1.57576 -40.996 1.57574 18.2693 GPRESSAVG: 4930600 25.2593 -62.1358 -38.9511 -62.784 37.7466 1.86088 -40.2067 1.49408 17.9427 TIMING: 4930600 CPU: 15631.1, 0.00309581/step Wall: 15631.1, 0.00309581/step, 0.0596804 hours remaining, 240.296875 MB of memory in use. ENERGY: 4930600 4023.9854 20520.0260 14439.7748 253.8895 -203589.5552 2433.3098 0.0000 0.0000 52030.2357 -109888.3339 299.0185 -161918.5696 -109526.9107 299.0409 -60.4478 -31.6667 758897.0563 27.1521 26.9829 PRESSURE: 4930800 -295.807 68.3781 129.015 68.3773 -181.73 36.3825 129.015 36.3831 74.1877 GPRESSURE: 4930800 -268.952 -1.16177 254.669 -1.37147 -115.388 43.0171 45.2016 75.9399 79.3464 PRESSAVG: 4930800 24.385 -26.5913 39.2468 -26.5913 -2.51584 -1.29015 39.2468 -1.29017 2.52239 GPRESSAVG: 4930800 24.6524 -24.9398 37.95 -26.8302 -4.05816 -1.37807 40.4659 0.382157 3.92534 TIMING: 4930800 CPU: 15631.7, 0.00311822/step Wall: 15631.7, 0.00311822/step, 0.0599391 hours remaining, 240.296875 MB of memory in use. ENERGY: 4930800 3978.3498 20561.4050 14432.3902 224.8031 -203310.8349 2158.7272 0.0000 0.0000 51842.8486 -110112.3111 297.9416 -161955.1597 -109754.4250 298.8832 -134.4498 -101.6646 759099.5653 8.1305 8.1732 PRESSURE: 4931000 -221.893 97.1786 33.3462 97.1792 -69.3591 -238.806 33.3465 -238.805 4.36629 GPRESSURE: 4931000 -126.38 33.9866 175.096 94.1534 -74.3582 -197.474 -168.591 -314.161 -15.7638 PRESSAVG: 4931000 22.1072 -24.0069 44.2597 -24.0069 -15.7195 34.7354 44.2596 34.7354 -1.32583 GPRESSAVG: 4931000 22.4721 -27.0584 45.7079 -23.8701 -15.1481 34.8848 43.0385 32.4775 -3.00943 TIMING: 4931000 CPU: 15632.4, 0.00311111/step Wall: 15632.4, 0.00311111/step, 0.0596297 hours remaining, 240.296875 MB of memory in use. ENERGY: 4931000 3952.9625 20488.2435 14350.0528 260.6178 -203735.1866 2301.8218 0.0000 0.0000 52261.7811 -110119.7072 300.3492 -162381.4883 -109758.1339 298.4065 -95.6285 -72.1672 758546.3396 1.6873 1.4382 PRESSURE: 4931200 -173.226 59.4136 -228.325 59.4142 -196.224 -113.954 -228.325 -113.954 -95.2923 GPRESSURE: 4931200 -155.432 144.433 -246.089 29.3491 -109.48 -117.08 -127.752 -18.769 -110.907 PRESSAVG: 4931200 35.2813 -22.5771 -46.5197 -22.5772 -50.9403 -29.4638 -46.5197 -29.4638 11.0928 GPRESSAVG: 4931200 35.0757 -22.548 -46.7244 -21.6591 -50.8998 -29.5334 -49.661 -27.9389 11.3281 TIMING: 4931200 CPU: 15633, 0.00311872/step Wall: 15633, 0.00311872/step, 0.0596022 hours remaining, 240.296875 MB of memory in use. ENERGY: 4931200 4114.8975 20531.6769 14491.1057 243.1676 -203799.1152 2475.4968 0.0000 0.0000 51739.4256 -110203.3450 297.3472 -161942.7706 -109854.7169 298.3453 -154.9142 -125.2730 758069.9474 -1.5221 -1.4987 PRESSURE: 4931400 -33.1424 -41.8906 -230.797 -41.8908 1.45037 115.769 -230.797 115.769 32.695 GPRESSURE: 4931400 115.113 -34.985 -144.714 -53.1427 -82.9369 130.704 -204.865 79.4712 58.9742 PRESSAVG: 4931400 -28.6555 -29.3927 -42.1607 -29.3927 -21.6213 13.9061 -42.1608 13.9061 -15.0829 GPRESSAVG: 4931400 -28.329 -28.7554 -42.8439 -31.9254 -21.7368 14.1667 -36.6816 12.8815 -14.8558 TIMING: 4931400 CPU: 15633.6, 0.00313278/step Wall: 15633.6, 0.00313278/step, 0.0596968 hours remaining, 240.296875 MB of memory in use. ENERGY: 4931400 3988.1210 20425.4603 14445.0223 237.2059 -203776.6880 2228.0426 0.0000 0.0000 51919.3197 -110533.5162 298.3810 -162452.8359 -110177.1975 297.7731 0.3343 30.3835 758612.1637 -21.7866 -21.6405 PRESSURE: 4931600 -198.992 -192.892 145.65 -192.892 -32.7499 -124.198 145.649 -124.198 289.902 GPRESSURE: 4931600 -156.011 -168.619 167.567 -147.038 29.0472 -110.488 185.975 38.4252 254.064 PRESSAVG: 4931600 -16.6071 -24.4691 -11.7586 -24.4691 45.8782 41.33 -11.7587 41.33 8.20616 GPRESSAVG: 4931600 -17.3612 -21.6264 -11.7391 -24.3442 45.3899 41.1337 -13.5652 43.099 9.40373 TIMING: 4931600 CPU: 15634.2, 0.00312825/step Wall: 15634.2, 0.00312825/step, 0.0594368 hours remaining, 240.296875 MB of memory in use. ENERGY: 4931600 3914.8274 20601.4021 14487.6788 252.3374 -203646.3589 2343.6556 0.0000 0.0000 51661.7246 -110384.7330 296.9006 -162046.4577 -110031.4997 297.4992 19.3868 42.3666 758950.0022 12.4924 12.4775 PRESSURE: 4931800 449.642 -58.2788 91.0594 -58.2781 -24.8542 61.0528 91.0593 61.0502 -64.0507 GPRESSURE: 4931800 421.748 8.20231 87.1771 -49.681 79.582 46.4147 45.6253 -34.0771 -53.5174 PRESSAVG: 4931800 69.2318 22.0962 -25.5375 22.0962 -23.7385 34.3431 -25.5375 34.3431 -10.1468 GPRESSAVG: 4931800 70.2344 21.9687 -24.9992 22.4057 -23.4945 34.6334 -25.2046 33.8489 -11.1612 TIMING: 4931800 CPU: 15634.9, 0.00313225/step Wall: 15634.9, 0.00313225/step, 0.0593388 hours remaining, 240.296875 MB of memory in use. ENERGY: 4931800 3966.6941 20406.5959 14443.9061 243.6994 -203882.9094 2599.6177 0.0000 0.0000 51876.1180 -110346.2783 298.1328 -162222.3963 -109994.7447 298.0400 120.2458 149.2708 759967.8539 11.7822 11.8596 PRESSURE: 4932000 -10.4482 165.123 46.0935 165.122 -215.454 -125.641 46.094 -125.64 -193.213 GPRESSURE: 4932000 96.2192 213.753 38.1164 45.7601 -260.86 -108.868 117.326 1.48026 -170.953 PRESSAVG: 4932000 39.3398 48.2983 12.4098 48.2983 -72.5252 27.8503 12.4097 27.8503 -1.0002 GPRESSAVG: 4932000 38.9562 48.1886 11.7369 48.7507 -73.1814 27.789 12.8053 26.1808 -0.426977 TIMING: 4932000 CPU: 15635.5, 0.00312707/step Wall: 15635.5, 0.00312707/step, 0.0590668 hours remaining, 240.296875 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: 4932000 4007.1669 20196.8794 14461.3622 240.0676 -203980.8199 2606.3256 0.0000 0.0000 52055.3466 -110413.6717 299.1628 -162469.0182 -110043.8002 297.8793 -139.7050 -111.8647 761131.0217 -11.3952 -11.5507 PRESSURE: 4932200 -202.796 147.907 -100.629 147.908 103.044 103.55 -100.63 103.55 14.0218 GPRESSURE: 4932200 -108.885 88.6987 -34.2309 96.3022 79.7412 155.359 -23.8521 110.143 12.4778 PRESSAVG: 4932200 -10.0371 54.7865 -10.1989 54.7865 21.2529 -37.1921 -10.1989 -37.1922 12.463 GPRESSAVG: 4932200 -10.5497 52.1731 -7.97818 55.1923 20.8426 -37.213 -10.4615 -35.256 13.0287 TIMING: 4932200 CPU: 15636.1, 0.00309522/step Wall: 15636.1, 0.00309522/step, 0.0582933 hours remaining, 240.296875 MB of memory in use. ENERGY: 4932200 3961.1745 20388.3857 14502.7978 239.9387 -203971.1005 2735.6590 0.0000 0.0000 51853.7918 -110289.3529 298.0045 -162143.1447 -109937.7659 297.5413 -28.5765 -5.5554 759293.0981 7.8929 7.7738 LDB: ============= START OF LOAD BALANCING ============== 15648.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15648.6 LDB: =============== DONE WITH MIGRATION ================ 15648.6 LDB: ============= START OF LOAD BALANCING ============== 15648.9 LDB: Largest compute 7066 load 0.034837 is 17.8% of average load 0.195487 LDB: Average compute 0.004397 is 2.2% of average load 0.195487 LDB: TIME 15648.9 LOAD: AVG 0.195487 MAX 0.217269 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.535 MB LDB: TIME 15648.9 LOAD: AVG 0.195487 MAX 0.217269 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: TIME 15648.9 LOAD: AVG 0.195487 MAX 0.217269 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.539 MB LDB: ============== END OF LOAD BALANCING =============== 15648.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15648.9 PRESSURE: 4932400 -0.580842 -87.7055 139.708 -87.7059 -247.051 -352.267 139.709 -352.266 -454.475 GPRESSURE: 4932400 -26.5089 -145.51 152.847 -47.6576 -169.974 -409.493 122.901 -259.744 -430.888 PRESSAVG: 4932400 32.8873 46.9738 39.8561 46.9737 -21.8606 46.6317 39.8561 46.6317 10.0625 GPRESSAVG: 4932400 33.3784 45.8133 38.019 47.1391 -20.943 47.5333 38.0273 46.1705 9.3277 TIMING: 4932400 CPU: 15636.7, 0.0031928/step Wall: 15636.7, 0.0031928/step, 0.0599536 hours remaining, 242.410156 MB of memory in use. ENERGY: 4932400 4017.4304 20292.3975 14460.3810 279.7242 -203553.3781 2308.9416 0.0000 0.0000 51886.0500 -110308.4535 298.1898 -162194.5034 -109942.5000 297.8524 -234.0359 -209.1238 760026.4878 7.0297 7.2544 PRESSURE: 4932600 131.157 24.2134 -78.8904 24.2126 0.513145 286.084 -78.8896 286.083 571.767 GPRESSURE: 4932600 176.773 -3.87592 -20.7057 20.9324 12.6136 293.024 -128.03 232.46 574.044 PRESSAVG: 4932600 -10.3071 -19.8811 21.9905 -19.8811 34.3553 46.9964 21.9905 46.9965 18.2683 GPRESSAVG: 4932600 -8.83617 -18.914 21.3461 -19.4481 33.169 45.78 24.1585 46.7955 17.7513 TIMING: 4932600 CPU: 15637.4, 0.00311707/step Wall: 15637.4, 0.00311707/step, 0.0583586 hours remaining, 242.476562 MB of memory in use. ENERGY: 4932600 4017.2017 20576.3578 14452.0828 227.2796 -204120.6489 2694.4448 0.0000 0.0000 51852.3277 -110300.9545 297.9960 -162153.2822 -109941.1344 298.0081 234.4787 254.4768 758040.6939 14.1055 14.0280 PRESSURE: 4932800 -306.132 -23.2549 -13.6315 -23.2544 36.2687 -58.6782 -13.6311 -58.6784 107.238 GPRESSURE: 4932800 -191.536 96.8021 28.4219 -59.8647 31.6347 -74.9379 -90.5673 57.1548 88.7487 PRESSAVG: 4932800 15.4604 -2.14593 -33.5154 -2.14598 52.094 15.662 -33.5155 15.6619 -30.262 GPRESSAVG: 4932800 14.4217 0.746388 -33.5588 -3.5294 52.6296 15.7566 -33.9907 15.2721 -29.8572 TIMING: 4932800 CPU: 15638, 0.00313776/step Wall: 15638, 0.00313776/step, 0.0585715 hours remaining, 242.476562 MB of memory in use. ENERGY: 4932800 4072.7294 20482.8162 14364.8645 244.8564 -203428.2671 2296.2564 0.0000 0.0000 51834.2406 -110132.5036 297.8921 -161966.7442 -109775.4612 298.6370 -54.2084 -23.7176 758528.9622 12.4308 12.3980 PRESSURE: 4933000 -140.247 -117.181 -35.4906 -117.181 -100.358 105.269 -35.4909 105.269 137.926 GPRESSURE: 4933000 -118.804 -19.4856 -26.7327 -88.0245 -91.006 114.569 57.3275 8.85522 209.3 PRESSAVG: 4933000 -27.0668 30.7294 -45.5552 30.7294 -8.70316 -30.4384 -45.5552 -30.4384 16.5008 GPRESSAVG: 4933000 -27.3047 30.816 -45.7382 31.5703 -9.51702 -29.4998 -46.6061 -30.0239 17.8817 TIMING: 4933000 CPU: 15638.6, 0.00311585/step Wall: 15638.6, 0.00311586/step, 0.0579895 hours remaining, 242.476562 MB of memory in use. ENERGY: 4933000 3987.5202 20362.3931 14379.5386 241.4797 -203300.5176 2355.5211 0.0000 0.0000 51844.8865 -110129.1784 297.9533 -161974.0649 -109760.8437 298.0826 -34.2266 -0.1699 760209.3588 -6.4231 -6.3134 PRESSURE: 4933200 199.547 214.235 -48.858 214.235 -268.834 -162.411 -48.8591 -162.411 -135.032 GPRESSURE: 4933200 292.23 92.6498 39.3144 174.326 -237.43 -202.295 -144.148 -178.8 -169.197 PRESSAVG: 4933200 37.7834 38.9806 12.9578 38.9805 -55.9143 3.3074 12.9579 3.30727 -20.6297 GPRESSAVG: 4933200 37.6028 37.7595 14.8256 39.2174 -55.2986 2.83789 12.4135 2.92059 -21.201 TIMING: 4933200 CPU: 15639.2, 0.00310866/step Wall: 15639.2, 0.00310866/step, 0.057683 hours remaining, 242.476562 MB of memory in use. ENERGY: 4933200 3938.9052 20476.0530 14358.1885 242.1950 -203849.0301 2571.9684 0.0000 0.0000 52240.4647 -110021.2553 300.2267 -162261.7200 -109663.5360 298.3459 -68.1065 -38.1323 761638.5547 -12.9202 -12.9656 PRESSURE: 4933400 190.61 118.381 -54.0363 118.381 -105.71 -103.52 -54.0368 -103.522 -353.362 GPRESSURE: 4933400 212.439 88.5919 -9.93067 147.793 -58.1994 -102.112 -1.80922 -85.6764 -328.279 PRESSAVG: 4933400 72.6335 22.316 -44.3174 22.3161 -45.8624 51.8508 -44.3174 51.8509 -19.5365 GPRESSAVG: 4933400 71.5989 23.6229 -44.5748 20.9475 -45.356 52.4086 -44.434 52.3631 -19.1043 TIMING: 4933400 CPU: 15639.9, 0.00311138/step Wall: 15639.9, 0.00311138/step, 0.0575605 hours remaining, 242.476562 MB of memory in use. ENERGY: 4933400 3965.0636 20543.8949 14418.4427 228.9273 -203886.7657 2818.7853 0.0000 0.0000 51891.2807 -110020.3712 298.2199 -161911.6519 -109667.4789 298.4829 -89.4875 -58.0130 760485.7902 2.4115 2.3795 PRESSURE: 4933600 34.865 -78.8829 -113.466 -78.8821 -119.75 52.6474 -113.467 52.6472 -111.737 GPRESSURE: 4933600 103.796 -116.11 -222.904 -4.45696 -60.1329 52.3883 -77.2831 -31.1594 -136.695 PRESSAVG: 4933600 6.30373 -1.55283 -10.9914 -1.55282 -19.7996 19.5387 -10.9914 19.5388 -0.567635 GPRESSAVG: 4933600 8.37811 -2.26571 -10.5342 0.479417 -20.2171 19.445 -9.23134 18.4382 -1.73804 TIMING: 4933600 CPU: 15640.5, 0.00311456/step Wall: 15640.5, 0.00311456/step, 0.0574464 hours remaining, 242.476562 MB of memory in use. ENERGY: 4933600 3950.3984 20438.0307 14487.7819 234.6664 -203231.4067 2217.1474 0.0000 0.0000 51935.2551 -109968.1268 298.4726 -161903.3819 -109605.7358 298.8145 -65.5408 -31.0106 759487.0891 -4.6878 -4.5257 PRESSURE: 4933800 368.442 74.8848 144.513 74.8849 284.031 -207.691 144.513 -207.691 11.2819 GPRESSURE: 4933800 443.509 127.148 56.3616 118.216 246.28 -203.568 30.5508 -147.689 63.5054 PRESSAVG: 4933800 37.5012 35.7112 -39.7218 35.7112 -44.0567 31.1896 -39.7218 31.1897 2.38166 GPRESSAVG: 4933800 36.687 33.744 -40.466 34.54 -43.7589 30.2944 -42.4198 31.7704 2.40017 TIMING: 4933800 CPU: 15641.1, 0.00312999/step Wall: 15641.1, 0.00312999/step, 0.0575571 hours remaining, 242.476562 MB of memory in use. ENERGY: 4933800 3835.1811 20641.4378 14346.8735 255.1831 -203637.8743 2412.6997 0.0000 0.0000 52121.8273 -110024.6719 299.5449 -162146.4991 -109668.3406 298.5234 221.2515 251.0981 758778.3449 -1.3913 -1.5573 PRESSURE: 4934000 313.704 52.0106 -8.10441 52.0115 -95.6062 271.297 -8.104 271.298 14.9203 GPRESSURE: 4934000 319.1 85.6582 -28.4256 60.4954 -50.4997 274.482 101.823 239 53.0893 PRESSAVG: 4934000 -9.7758 -0.664841 -40.2513 -0.66484 -20.3023 1.18129 -40.2514 1.18135 -9.44386 GPRESSAVG: 4934000 -9.91997 -0.331966 -42.0376 0.079185 -20.45 0.15311 -38.3315 1.24725 -9.08122 TIMING: 4934000 CPU: 15641.7, 0.00312838/step Wall: 15641.7, 0.00312838/step, 0.0573536 hours remaining, 242.476562 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: 4934000 3987.2355 20549.4528 14423.1277 227.3805 -203527.9368 2517.9144 0.0000 0.0000 51660.2541 -110162.5717 296.8922 -161822.8259 -109794.9386 297.9150 77.6728 107.2299 761685.8080 -13.1740 -13.1504 PRESSURE: 4934200 156.461 -179.738 130.444 -179.738 121.455 -310.473 130.444 -310.473 -183.105 GPRESSURE: 4934200 135.421 -225.914 106.325 -161.714 172.276 -229.097 86.9572 -323.502 -134.757 PRESSAVG: 4934200 15.5592 36.252 6.70029 36.252 -19.8315 34.9349 6.70023 34.9349 -14.4428 GPRESSAVG: 4934200 15.7136 36.0919 6.67493 36.5672 -19.2964 36.9589 6.43942 35.8067 -15.1103 TIMING: 4934200 CPU: 15642.4, 0.00312928/step Wall: 15642.4, 0.00312928/step, 0.0571963 hours remaining, 242.476562 MB of memory in use. ENERGY: 4934200 3887.6032 20487.5205 14457.6376 236.3744 -203867.2165 2755.3035 0.0000 0.0000 52094.0854 -109948.6919 299.3854 -162042.7773 -109589.2562 298.2247 31.6037 57.6468 760755.1179 -6.2383 -6.2310 PRESSURE: 4934400 -267.122 230.624 -50.4281 230.624 222.179 277.323 -50.4278 277.323 6.38922 GPRESSURE: 4934400 -281.781 180.096 -20.1152 127.231 304.2 154.197 57.5045 136.454 60.0426 PRESSAVG: 4934400 35.096 -8.60298 19.6623 -8.603 -33.2465 -31.776 19.6623 -31.7759 4.88232 GPRESSAVG: 4934400 33.9064 -8.5871 21.7713 -8.48803 -32.9298 -33.661 16.9186 -33.5449 5.56295 TIMING: 4934400 CPU: 15643, 0.00312828/step Wall: 15643, 0.00312828/step, 0.0570042 hours remaining, 242.476562 MB of memory in use. ENERGY: 4934400 3890.9615 20530.5993 14358.8534 250.2970 -203386.7491 2353.3681 0.0000 0.0000 52008.0306 -109994.6392 298.8909 -162002.6698 -109637.7344 298.8928 -12.8510 27.4874 760762.3201 2.2439 2.1799 PRESSURE: 4934600 282.113 -183.05 333.204 -183.049 -123.207 -206.049 333.204 -206.05 -204.054 GPRESSURE: 4934600 313.426 -163.994 372.644 -125.742 -59.4586 -205.699 282.193 -83.6298 -202.215 PRESSAVG: 4934600 -3.67689 -19.3692 42.1276 -19.3692 -46.1648 -41.5552 42.1276 -41.5551 24.9261 GPRESSAVG: 4934600 -2.07124 -19.8106 41.1578 -21.345 -47.0995 -39.1901 44.5912 -41.0564 24.4697 TIMING: 4934600 CPU: 15643.6, 0.00311971/step Wall: 15643.6, 0.00311971/step, 0.0566747 hours remaining, 242.476562 MB of memory in use. ENERGY: 4934600 3931.2772 20475.2392 14481.9055 243.8857 -203929.5578 2666.5059 0.0000 0.0000 52115.1168 -110015.6274 299.5063 -162130.7442 -109652.0972 298.3847 -15.0493 17.2509 760324.5476 -8.3052 -8.2337 PRESSURE: 4934800 349.72 -46.0992 211.612 -46.0994 -27.2422 -141.8 211.612 -141.801 495.713 GPRESSURE: 4934800 348.298 24.0259 255.315 -167.396 75.0795 -124.126 59.1295 5.70039 465.554 PRESSAVG: 4934800 -18.6841 -46.7917 17.3155 -46.7917 -33.6967 27.313 17.3155 27.313 29.896 GPRESSAVG: 4934800 -18.8397 -46.5808 16.7113 -45.9777 -33.385 25.6073 16.7223 28.3761 29.4269 TIMING: 4934800 CPU: 15644.2, 0.00312947/step Wall: 15644.2, 0.00312947/step, 0.0566781 hours remaining, 242.476562 MB of memory in use. ENERGY: 4934800 3867.6681 20459.9033 14488.1182 252.6532 -203487.0828 2621.8393 0.0000 0.0000 52027.0876 -109769.8131 299.0004 -161796.9007 -109406.0506 298.5020 272.7301 296.3104 758374.4085 -7.4949 -7.5993 PRESSURE: 4935000 -170.546 -150.767 60.4047 -150.767 -117.817 -64.2715 60.4035 -64.272 -357.141 GPRESSURE: 4935000 -58.9147 -144.797 112.531 -60.9487 -115.664 -134.829 150.684 49.5923 -377.97 PRESSAVG: 4935000 -3.35377 -29.097 -8.1347 -29.0969 -3.69878 49.0121 -8.13476 49.012 -20.8845 GPRESSAVG: 4935000 -4.22674 -28.0588 -7.14645 -26.6036 -3.53293 49.4474 -6.96922 49.4905 -20.6489 TIMING: 4935000 CPU: 15644.9, 0.00312712/step Wall: 15644.9, 0.00312712/step, 0.0564619 hours remaining, 242.476562 MB of memory in use. ENERGY: 4935000 4024.8796 20565.0617 14435.5973 238.4762 -203139.4408 2403.9455 0.0000 0.0000 51944.0770 -109527.4035 298.5233 -161471.4805 -109171.5721 298.7887 -215.1677 -184.1831 762631.9162 -9.3123 -9.4695 PRESSURE: 4935200 261.579 -275.313 -3.34054 -275.313 177.762 -30.0645 -3.34003 -30.0634 431.976 GPRESSURE: 4935200 345.858 -242.068 -50.5359 -227.162 166.402 -94.4915 45.783 -105.682 438.097 PRESSAVG: 4935200 48.2076 29.0396 43.3153 29.0396 -22.8494 21.5059 43.3153 21.5058 -6.24672 GPRESSAVG: 4935200 48.8021 29.3447 41.3101 26.8372 -24.657 20.8142 44.3485 21.1478 -5.18018 TIMING: 4935200 CPU: 15645.5, 0.00312667/step Wall: 15645.5, 0.00312667/step, 0.0562801 hours remaining, 242.476562 MB of memory in use. ENERGY: 4935200 3919.8284 20607.0400 14465.9868 229.9902 -203212.3728 2547.8959 0.0000 0.0000 51904.1822 -109537.4493 298.2940 -161441.6315 -109177.2495 299.1970 290.4389 316.7857 760817.1912 6.3705 6.3216 PRESSURE: 4935400 -67.7765 82.9741 -205.514 82.975 -21.0661 33.3811 -205.515 33.379 -116.554 GPRESSURE: 4935400 -137.193 -34.2603 -266.699 151.928 79.2742 120.419 -189.499 -13.0099 -75.3007 PRESSAVG: 4935400 -17.2306 -9.05146 5.5504 -9.0514 8.27034 -0.750788 5.55039 -0.750767 7.50358 GPRESSAVG: 4935400 -18.1522 -10.1251 6.83432 -8.53419 9.74667 0.173133 3.18898 -3.00592 6.71927 TIMING: 4935400 CPU: 15646.1, 0.00312979/step Wall: 15646.1, 0.00312979/step, 0.0561624 hours remaining, 242.476562 MB of memory in use. ENERGY: 4935400 3997.2016 20651.2757 14480.1090 240.3444 -203344.9768 2505.4710 0.0000 0.0000 52011.4557 -109459.1194 298.9106 -161470.5751 -109098.3498 299.3703 -68.4655 -44.4065 759981.6401 -0.4856 -0.5621 PRESSURE: 4935600 -21.1238 -43.5318 263.919 -43.5316 258.322 181.899 263.918 181.9 -345.078 GPRESSURE: 4935600 -1.81195 13.3164 260.684 -85.8471 201.786 145.427 284.736 229.481 -229.253 PRESSAVG: 4935600 20.2082 -33.2737 52.383 -33.2737 -35.4321 9.64456 52.383 9.64455 7.94072 GPRESSAVG: 4935600 20.7175 -32.9754 51.5041 -34.9183 -35.7226 9.56145 53.9979 11.4409 7.15883 TIMING: 4935600 CPU: 15646.7, 0.00311228/step Wall: 15646.7, 0.00311228/step, 0.0556752 hours remaining, 242.476562 MB of memory in use. ENERGY: 4935600 4041.3682 20495.3382 14465.5296 242.2380 -203236.2904 2632.0359 0.0000 0.0000 51797.9703 -109561.8102 297.6836 -161359.7805 -109211.3352 299.6092 -35.9598 -9.7596 761304.6005 -2.4277 -2.6154 PRESSURE: 4935800 49.1137 122.581 23.4832 122.582 136.875 -147.02 23.4822 -147.018 88.7511 GPRESSURE: 4935800 112.557 107.698 94.7422 181.63 156.969 -192.813 20.5387 -34.1146 89.2543 PRESSAVG: 4935800 -61.014 37.7267 25.7868 37.7268 4.70551 -10.26 25.7868 -10.26 -2.13051 GPRESSAVG: 4935800 -62.2479 37.1938 26.2807 37.6472 4.94468 -9.88236 24.8068 -10.8834 -1.62881 TIMING: 4935800 CPU: 15647.4, 0.0031258/step Wall: 15647.4, 0.0031258/step, 0.0557434 hours remaining, 242.476562 MB of memory in use. ENERGY: 4935800 3990.8886 20499.8684 14430.0377 252.0028 -203378.1613 2597.3955 0.0000 0.0000 52141.1475 -109466.8207 299.6559 -161607.9682 -109097.4523 299.3847 91.5800 119.5934 758796.5579 -19.4797 -19.6440 PRESSURE: 4936000 83.185 -81.5627 -17.7985 -81.5632 -311.693 6.26623 -17.7993 6.26555 177.257 GPRESSURE: 4936000 84.1194 20.4399 -18.5717 -17.2066 -191.088 99.5721 -10.0916 25.7577 130.497 PRESSAVG: 4936000 68.6853 -52.6573 -20.3331 -52.6574 9.40693 4.47265 -20.3331 4.47265 -12.1992 GPRESSAVG: 4936000 69.9625 -53.6196 -19.7474 -49.8913 8.20092 5.083 -19.5657 2.11211 -12.289 TIMING: 4936000 CPU: 15648, 0.00312821/step Wall: 15648, 0.00312821/step, 0.0556126 hours remaining, 242.476562 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: 4936000 3996.0046 20604.8642 14440.0431 243.6813 -203295.0240 2543.8124 0.0000 0.0000 51994.3018 -109472.3166 298.8120 -161466.6184 -109112.8885 299.7338 -17.0836 7.8426 760642.4351 21.9643 21.9581 PRESSURE: 4936200 139.558 -189.977 115.499 -189.977 -97.9239 174.625 115.499 174.626 176.873 GPRESSURE: 4936200 240.566 -257.841 135.604 -168.401 -97.6394 138.643 82.1808 147.231 157.629 PRESSAVG: 4936200 -5.43296 -61.5609 25.9643 -61.5609 -2.7661 11.3395 25.9643 11.3394 25.9813 GPRESSAVG: 4936200 -6.09441 -61.1943 25.6626 -61.4634 -2.72258 10.6529 26.284 13.2315 26.1656 TIMING: 4936200 CPU: 15648.6, 0.00313028/step Wall: 15648.6, 0.00313028/step, 0.0554756 hours remaining, 242.476562 MB of memory in use. ENERGY: 4936200 4023.1165 20623.3783 14479.7228 247.8850 -204029.3907 2780.4336 0.0000 0.0000 52278.4635 -109596.3910 300.4450 -161874.8545 -109232.6930 299.2178 72.8358 100.1854 758731.6038 5.9274 5.7829 LDB: ============= START OF LOAD BALANCING ============== 15661.1 LDB: ============== END OF LOAD BALANCING =============== 15661.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15661.1 LDB: ============= START OF LOAD BALANCING ============== 15661.4 LDB: Largest compute 7066 load 0.032950 is 16.9% of average load 0.195511 LDB: Average compute 0.004393 is 2.2% of average load 0.195511 LDB: TIME 15661.4 LOAD: AVG 0.195511 MAX 0.217516 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.117 MB LDB: TIME 15661.4 LOAD: AVG 0.195511 MAX 0.217516 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: TIME 15661.4 LOAD: AVG 0.195511 MAX 0.217516 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.188 MB LDB: ============== END OF LOAD BALANCING =============== 15661.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15661.4 PRESSURE: 4936400 262.502 -59.2553 -36.479 -59.2552 -114.777 40.8478 -36.4794 40.8475 -15.7645 GPRESSURE: 4936400 232.425 -101.22 -8.22673 -44.0808 -85.2951 41.1688 -46.0335 46.587 43.2563 PRESSAVG: 4936400 8.30805 -63.1203 -3.24456 -63.1202 32.7753 2.24037 -3.24467 2.24046 12.6114 GPRESSAVG: 4936400 8.21145 -62.0304 -3.26047 -65.1867 33.4248 3.79784 -4.13534 1.08569 12.6291 TIMING: 4936400 CPU: 15649.3, 0.00319802/step Wall: 15649.3, 0.00319802/step, 0.0564983 hours remaining, 240.867188 MB of memory in use. ENERGY: 4936400 3969.8471 20659.5544 14523.5662 255.5647 -203891.8780 2763.3145 0.0000 0.0000 52171.2771 -109548.7540 299.8290 -161720.0310 -109177.3954 299.6562 43.9867 63.4621 759233.7253 17.8983 18.0884 PRESSURE: 4936600 140.417 78.3183 150.459 78.3188 -278.805 -63.5668 150.459 -63.5666 97.483 GPRESSURE: 4936600 114.257 101.168 134.73 74.5697 -121.803 -68.5339 135.633 -135.304 61.2609 PRESSAVG: 4936600 15.8061 -47.4686 -23.9703 -47.4684 -36.581 49.8704 -23.9703 49.8704 5.23482 GPRESSAVG: 4936600 16.5702 -49.5865 -23.4897 -46.1364 -37.06 47.3765 -23.2032 51.0147 5.33529 TIMING: 4936600 CPU: 15649.9, 0.00312729/step Wall: 15649.9, 0.00312729/step, 0.0550751 hours remaining, 240.867188 MB of memory in use. ENERGY: 4936600 3960.0794 20439.9291 14473.0281 246.5360 -203398.3296 2274.1035 0.0000 0.0000 52284.5016 -109720.1519 300.4797 -162004.6535 -109351.8499 299.2369 -13.6350 17.9049 758464.0097 -5.1800 -5.0515 PRESSURE: 4936800 105.408 -91.0959 -111.844 -91.0953 100.642 72.2353 -111.844 72.2356 -232.842 GPRESSURE: 4936800 119.413 -126.163 -103.28 -48.9072 116.693 84.7316 -239.128 183.957 -182.379 PRESSAVG: 4936800 31.8213 -32.5663 -7.7416 -32.5664 -33.9678 -1.54098 -7.74158 -1.54092 11.5187 GPRESSAVG: 4936800 31.5156 -31.0103 -7.33307 -34.3454 -34.6564 -2.257 -5.90361 -0.131828 12.5115 TIMING: 4936800 CPU: 15650.5, 0.00312561/step Wall: 15650.5, 0.00312561/step, 0.0548718 hours remaining, 240.867188 MB of memory in use. ENERGY: 4936800 4009.7089 20503.1523 14485.6577 252.0884 -203490.1513 2322.5992 0.0000 0.0000 52168.9666 -109747.9782 299.8158 -161916.9448 -109383.3648 299.2382 -8.9305 17.9091 759218.8532 3.1241 3.1236 PRESSURE: 4937000 148.549 -158.37 22.8144 -158.37 90.9602 187.226 22.8158 187.227 26.6285 GPRESSURE: 4937000 212.022 -109.224 32.8841 -182.298 134.504 92.6861 47.9286 133.333 2.41819 PRESSAVG: 4937000 -19.7008 -70.4363 13.7237 -70.4363 39.3135 -20.9281 13.7237 -20.9281 7.86776 GPRESSAVG: 4937000 -19.7725 -71.1526 15.3613 -69.3674 40.2543 -18.7349 10.1062 -20.5038 6.36691 TIMING: 4937000 CPU: 15651.1, 0.00313359/step Wall: 15651.1, 0.00313359/step, 0.0548378 hours remaining, 240.867188 MB of memory in use. ENERGY: 4937000 4000.2022 20535.0941 14474.8780 231.4164 -203774.9087 2770.2047 0.0000 0.0000 52135.4881 -109627.6252 299.6234 -161763.1133 -109275.7493 299.3203 88.7125 116.3145 759522.4955 9.1601 8.9496 PRESSURE: 4937200 -322.266 -71.3418 -48.2314 -71.3428 -299.703 88.9656 -48.2314 88.9658 -513.057 GPRESSURE: 4937200 -298.765 -76.0457 -66.4037 -15.4392 -309.501 197.736 21.317 58.8685 -438.214 PRESSAVG: 4937200 -13.4924 -76.8803 83.9775 -76.8803 29.3821 18.3465 83.9775 18.3465 0.111388 GPRESSAVG: 4937200 -12.9058 -76.7495 84.3821 -75.7658 28.348 18.2334 85.4274 17.6915 0.9384 TIMING: 4937200 CPU: 15651.8, 0.00313679/step Wall: 15651.8, 0.00313679/step, 0.0547195 hours remaining, 240.867188 MB of memory in use. ENERGY: 4937200 3950.8618 20540.0113 14583.5772 252.9518 -203741.1466 2482.8439 0.0000 0.0000 51995.8644 -109935.0362 298.8209 -161930.9006 -109561.2981 298.8468 -378.3418 -348.8265 761063.7562 5.3337 5.4602 PRESSURE: 4937400 -313.276 145.052 79.2269 145.053 -83.1351 -170.266 79.2262 -170.266 306.779 GPRESSURE: 4937400 -221.477 6.24225 18.3832 154.208 -123.405 -203.113 70.6329 -135.95 336.068 PRESSAVG: 4937400 -5.07196 -33.9554 44.779 -33.9554 0.790375 -47.1924 44.779 -47.1924 20.8984 GPRESSAVG: 4937400 -4.87554 -33.0436 42.3666 -34.6486 0.441347 -47.2543 45.8875 -48.0087 20.3579 TIMING: 4937400 CPU: 15652.4, 0.00312803/step Wall: 15652.4, 0.00312802/step, 0.0543929 hours remaining, 240.867188 MB of memory in use. ENERGY: 4937400 3966.1424 20462.4263 14491.8754 243.9363 -203308.8688 2189.5048 0.0000 0.0000 52106.9535 -109848.0301 299.4594 -161954.9836 -109486.0931 298.4989 -29.8773 -2.9380 759749.9672 5.5389 5.3079 PRESSURE: 4937600 -27.3192 -56.9898 -6.17439 -56.9892 288.59 -22.392 -6.17531 -22.3919 -89.347 GPRESSURE: 4937600 17.7703 -130.666 -45.7332 -115.989 263.739 -41.7283 -58.6535 -17.2501 -16.9181 PRESSAVG: 4937600 6.73558 -47.8984 23.2851 -47.8985 -14.4718 8.24898 23.2851 8.24902 37.0414 GPRESSAVG: 4937600 6.33417 -49.8117 25.1571 -47.4534 -14.5698 8.17537 22.2861 8.33471 37.957 TIMING: 4937600 CPU: 15653, 0.00311879/step Wall: 15653, 0.00311879/step, 0.054059 hours remaining, 240.867188 MB of memory in use. ENERGY: 4937600 3949.8488 20581.2376 14518.3577 237.2908 -203858.2489 2813.7491 0.0000 0.0000 52003.7645 -109754.0004 298.8663 -161757.7649 -109394.3805 299.0384 57.3079 88.1970 760784.9081 9.7684 9.9071 PRESSURE: 4937800 129.87 99.4167 -100.471 99.4156 -113.634 -204.172 -100.471 -204.171 -258.428 GPRESSURE: 4937800 163.45 194.787 -93.8915 -72.4288 -42.3812 -142.882 -200.783 -194.828 -268.298 PRESSAVG: 4937800 -51.8528 -38.2691 -25.9374 -38.2691 55.9295 -14.9415 -25.9374 -14.9414 -1.26941 GPRESSAVG: 4937800 -51.785 -38.1146 -27.5673 -40.8562 55.7831 -15.9486 -25.6928 -12.9837 -1.09531 TIMING: 4937800 CPU: 15653.6, 0.00312824/step Wall: 15653.6, 0.00312824/step, 0.054049 hours remaining, 240.867188 MB of memory in use. ENERGY: 4937800 3970.2231 20551.4454 14535.3707 253.4024 -203592.8452 2639.2414 0.0000 0.0000 52013.6331 -109629.5291 298.9231 -161643.1622 -109275.3193 299.4323 -80.7308 -49.0764 761364.5295 0.9358 0.9676 PRESSURE: 4938000 -243.277 -90.3367 137.658 -90.3372 99.9562 -28.6655 137.658 -28.6653 199.868 GPRESSURE: 4938000 -156.876 -143.74 83.0016 -59.1923 172.646 -115.292 291.145 28.5272 120.553 PRESSAVG: 4938000 -61.6293 -78.6134 27.2565 -78.6133 34.912 31.2413 27.2565 31.2412 6.05992 GPRESSAVG: 4938000 -62.5305 -79.1961 27.1601 -74.6317 36.2156 31.8673 27.7737 30.8357 5.25944 TIMING: 4938000 CPU: 15654.3, 0.00312773/step Wall: 15654.3, 0.00312773/step, 0.0538665 hours remaining, 240.867188 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: 4938000 3949.6237 20548.8714 14449.1772 259.2558 -203066.3602 2249.7043 0.0000 0.0000 52142.2056 -109467.5222 299.6620 -161609.7277 -109099.5231 300.1053 18.8492 45.4408 761836.9687 -6.8858 -7.0185 PRESSURE: 4938200 -62.3998 -127.461 5.60977 -127.462 218.947 53.7891 5.60956 53.7897 -84.1058 GPRESSURE: 4938200 -37.3355 -199.014 38.547 -119.953 262.272 110.684 22.4234 172.565 -66.5021 PRESSAVG: 4938200 -59.2502 -19.5778 -19.9194 -19.5779 89.5497 33.1021 -19.9194 33.1021 13.8955 GPRESSAVG: 4938200 -57.7637 -19.142 -18.8798 -22.4629 88.1973 34.1116 -21.3183 32.2552 14.2987 TIMING: 4938200 CPU: 15654.9, 0.00312168/step Wall: 15654.9, 0.00312168/step, 0.0535888 hours remaining, 240.867188 MB of memory in use. ENERGY: 4938200 4018.3113 20621.6669 14460.0328 257.7069 -203613.2428 2717.4986 0.0000 0.0000 52012.8213 -109525.2050 298.9184 -161538.0263 -109156.2074 299.6364 24.1470 52.8114 760323.7487 14.7317 14.9108 PRESSURE: 4938400 -397.491 -55.4983 3.04749 -55.4987 -219.972 -73.8458 3.04728 -73.8454 186.944 GPRESSURE: 4938400 -451.879 -70.4543 -32.9774 -56.7199 -100.88 -122.352 31.9448 44.0667 190.546 PRESSAVG: 4938400 -41.7428 -25.932 47.1618 -25.9321 -6.11 16.4795 47.1618 16.4795 7.1569 GPRESSAVG: 4938400 -42.8975 -25.2095 46.4966 -24.7231 -4.62625 15.9032 48.2957 18.4973 7.25028 TIMING: 4938400 CPU: 15655.5, 0.00313329/step Wall: 15655.5, 0.00313329/step, 0.0536141 hours remaining, 240.867188 MB of memory in use. ENERGY: 4938400 4027.1957 20456.3434 14545.9876 236.3891 -203525.5363 2618.5074 0.0000 0.0000 51929.8955 -109711.2176 298.4418 -161641.1131 -109338.4593 299.1043 -143.5065 -120.7376 760970.9256 -13.5653 -13.4245 PRESSURE: 4938600 55.8003 -94.4441 -3.63999 -94.4441 350.317 40.9182 -3.63989 40.9172 157.663 GPRESSURE: 4938600 142.764 -60.8127 44.1871 -82.7131 315.608 -80.0083 41.2512 -22.4971 200.357 PRESSAVG: 4938600 -25.6991 2.55078 36.6818 2.5508 57.5204 -29.197 36.6818 -29.1971 9.49261 GPRESSAVG: 4938600 -24.7246 3.34652 36.4252 2.04686 56.6078 -27.918 35.4804 -33.1007 9.316 TIMING: 4938600 CPU: 15656.1, 0.00314024/step Wall: 15656.1, 0.00314024/step, 0.0535586 hours remaining, 240.867188 MB of memory in use. ENERGY: 4938600 4011.5758 20366.5204 14386.1860 245.4917 -203979.7559 2896.3241 0.0000 0.0000 52030.8000 -110042.8580 299.0217 -162073.6580 -109687.5594 298.5048 187.9269 219.5762 758544.0914 13.7713 13.7331 PRESSURE: 4938800 -2.04313 -66.2037 88.5042 -66.2021 311.671 93.1092 88.5047 93.1084 -171.944 GPRESSURE: 4938800 88.3676 -99.9543 86.8427 -129.043 307.536 51.866 153.21 58.8007 -171.493 PRESSAVG: 4938800 44.2984 -51.6859 5.03728 -51.686 -76.0307 -17.8856 5.03733 -17.8857 29.9195 GPRESSAVG: 4938800 42.8993 -52.4834 5.68743 -49.1183 -75.6659 -19.9314 5.46828 -18.1751 30.8757 TIMING: 4938800 CPU: 15656.8, 0.00316429/step Wall: 15656.8, 0.00316429/step, 0.0537929 hours remaining, 240.867188 MB of memory in use. ENERGY: 4938800 4027.6023 20553.1329 14389.0530 232.4749 -203709.5900 2761.2983 0.0000 0.0000 51821.1078 -109924.9208 297.8166 -161746.0286 -109569.7806 298.2765 45.8948 74.8037 760770.0423 -0.6043 -0.6303 PRESSURE: 4939000 96.4354 -107.008 175.759 -107.008 -188.195 -10.9417 175.759 -10.9406 -402.341 GPRESSURE: 4939000 158.024 -48.0936 191.694 -174.839 -146.385 37.5885 95.8477 -72.1494 -424.052 PRESSAVG: 4939000 44.6049 -112.331 32.0041 -112.331 -60.3021 -7.70332 32.0041 -7.70331 -19.3502 GPRESSAVG: 4939000 45.5124 -112.58 33.1605 -115.893 -60.3329 -6.53582 29.1903 -7.04683 -19.4171 TIMING: 4939000 CPU: 15657.4, 0.00312272/step Wall: 15657.4, 0.00312272/step, 0.0529128 hours remaining, 240.867188 MB of memory in use. ENERGY: 4939000 4041.1342 20469.9871 14365.6081 230.5824 -203733.0495 2563.9941 0.0000 0.0000 52041.2042 -110020.5394 299.0815 -162061.7436 -109654.8047 298.6205 -164.7002 -137.4713 760555.5707 -11.6825 -11.4125 PRESSURE: 4939200 422.068 -160.696 48.9893 -160.696 144.961 -57.6715 48.9888 -57.6706 252.191 GPRESSURE: 4939200 457.263 -10.9164 -44.0429 -114.213 185.459 -110.24 132.138 82.9008 260.293 PRESSAVG: 4939200 68.1608 -96.6004 29.3007 -96.6004 -91.1628 -9.46246 29.3008 -9.46255 5.55097 GPRESSAVG: 4939200 68.6542 -97.1249 28.0857 -95.2174 -89.9387 -8.35093 33.5642 -7.57565 4.14849 TIMING: 4939200 CPU: 15658, 0.00313566/step Wall: 15658, 0.00313566/step, 0.0529578 hours remaining, 240.867188 MB of memory in use. ENERGY: 4939200 3975.3054 20654.6056 14480.0645 258.9528 -203821.8868 2676.3912 0.0000 0.0000 51763.1952 -110013.3723 297.4838 -161776.5674 -109659.6330 298.5281 273.0735 301.0051 759456.3724 -5.8170 -5.7120 PRESSURE: 4939400 -310.908 -53.1145 86.363 -53.1151 -130.053 -136.314 86.3629 -136.315 -212.815 GPRESSURE: 4939400 -228.682 -40.0345 92.1725 -31.5198 -160.462 -203.625 -20.6824 -57.479 -199.23 PRESSAVG: 4939400 29.7428 -84.4879 18.4062 -84.4879 9.08364 -22.1138 18.4062 -22.1138 4.65046 GPRESSAVG: 4939400 31.1445 -83.7225 18.8552 -84.2738 6.62609 -21.9346 16.4607 -20.7634 5.69859 TIMING: 4939400 CPU: 15658.7, 0.00313148/step Wall: 15658.7, 0.00313148/step, 0.0527133 hours remaining, 240.867188 MB of memory in use. ENERGY: 4939400 4003.8316 20558.6697 14440.6749 262.0606 -203255.3707 2201.2848 0.0000 0.0000 52143.0268 -109645.8223 299.6667 -161788.8490 -109279.9001 299.1294 -217.9255 -196.1250 762162.7775 14.4923 14.4897 PRESSURE: 4939600 -48.8726 -105.34 -181.554 -105.34 -56.7269 -45.2178 -181.554 -45.2171 -53.9754 GPRESSURE: 4939600 39.3158 -161.771 -177.238 -98.5867 -24.9445 20.4258 -217.061 -72.9378 -64.7511 PRESSAVG: 4939600 18.7349 -3.16192 -27.2987 -3.16193 -22.0341 -43.5799 -27.2987 -43.5799 -11.6196 GPRESSAVG: 4939600 17.2385 -1.93511 -27.0658 -5.0482 -20.0812 -42.4856 -29.0165 -45.9382 -11.7828 TIMING: 4939600 CPU: 15659.3, 0.00313866/step Wall: 15659.3, 0.00313866/step, 0.0526598 hours remaining, 240.867188 MB of memory in use. ENERGY: 4939600 3975.6621 20596.6582 14467.1036 265.1635 -203348.6867 2728.8221 0.0000 0.0000 51874.2899 -109440.9873 298.1223 -161315.2772 -109082.3598 299.3054 -53.1916 -16.7933 761518.8773 -4.9730 -4.8752 PRESSURE: 4939800 118.585 90.5683 -76.095 90.5684 -237.549 -217.843 -76.0945 -217.843 45.981 GPRESSURE: 4939800 65.5948 -11.6886 31.4487 -96.6856 -111.14 -143.748 -121.668 -243.035 56.4308 PRESSAVG: 4939800 -9.24201 -13.7073 -41.2988 -13.7073 -34.0048 -10.5359 -41.2989 -10.536 -30.8095 GPRESSAVG: 4939800 -10.3146 -14.4899 -40.1868 -13.8696 -33.1752 -12.81 -39.3042 -8.85769 -30.7892 TIMING: 4939800 CPU: 15659.9, 0.00311799/step Wall: 15659.9, 0.00311799/step, 0.0521398 hours remaining, 240.867188 MB of memory in use. ENERGY: 4939800 4028.6186 20556.8514 14444.6174 238.7401 -202953.8590 2435.7644 0.0000 0.0000 51917.6456 -109331.6215 298.3714 -161249.2671 -108965.8654 299.5341 -24.3277 3.6286 761899.4833 -24.6854 -24.7597 PRESSURE: 4940000 116.293 -24.3732 234.623 -24.3735 -306.303 85.151 234.623 85.152 248.065 GPRESSURE: 4940000 130.366 -99.3271 229.877 -138.201 -283.704 81.2177 74.6406 38.454 274.372 PRESSAVG: 4940000 40.0702 -42.1377 -65.4577 -42.1377 -15.7905 3.57949 -65.4577 3.57951 37.5749 GPRESSAVG: 4940000 40.0511 -42.5297 -67.7499 -40.3725 -16.4667 4.31938 -64.7398 3.10589 38.1016 TIMING: 4940000 CPU: 15660.5, 0.00314009/step Wall: 15660.5, 0.00314009/step, 0.0523348 hours remaining, 240.867188 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: 4940000 4027.4282 20437.5963 14486.3113 259.2803 -203256.6932 2915.4034 0.0000 0.0000 51940.8927 -109189.7809 298.5050 -161130.6736 -108830.1403 299.8916 19.3517 40.3447 763717.2347 20.6182 20.5620 PRESSURE: 4940200 361.057 -271.799 10.2974 -271.799 435.044 -60.0433 10.2975 -60.043 -21.3067 GPRESSURE: 4940200 418.614 -275.783 -30.3009 -249.875 401.749 -75.1157 86.4342 -5.82854 18.135 PRESSAVG: 4940200 12.9831 -69.3334 -19.1865 -69.3335 -61.3262 -25.0116 -19.1865 -25.0117 -9.07919 GPRESSAVG: 4940200 13.7889 -68.6323 -18.533 -68.652 -62.4471 -23.7 -19.6349 -23.902 -8.61429 TIMING: 4940200 CPU: 15661.2, 0.00314994/step Wall: 15661.2, 0.00314994/step, 0.052324 hours remaining, 240.867188 MB of memory in use. ENERGY: 4940200 3973.7964 20633.7667 14428.6062 243.7303 -203455.6743 2775.8422 0.0000 0.0000 52173.5139 -109226.4186 299.8419 -161399.9325 -108874.6411 299.9480 258.2649 279.4991 761445.5999 -19.1408 -19.0908 LDB: ============= START OF LOAD BALANCING ============== 15673.6 LDB: ============== END OF LOAD BALANCING =============== 15673.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15673.6 LDB: ============= START OF LOAD BALANCING ============== 15673.9 LDB: Largest compute 7066 load 0.033171 is 17.0% of average load 0.195431 LDB: Average compute 0.004408 is 2.3% of average load 0.195431 LDB: TIME 15673.9 LOAD: AVG 0.195431 MAX 0.221943 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.34 MB LDB: TIME 15673.9 LOAD: AVG 0.195431 MAX 0.221943 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.34 MB LDB: TIME 15673.9 LOAD: AVG 0.195431 MAX 0.215915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.34 MB LDB: ============== END OF LOAD BALANCING =============== 15673.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15673.9 PRESSURE: 4940400 115.81 -134.954 281.78 -134.954 -143.613 -139.317 281.779 -139.317 114.336 GPRESSURE: 4940400 152.456 -41.8812 240.5 -138.972 -98.2692 -84.8548 179.445 -34.8831 116.556 PRESSAVG: 4940400 115.484 10.6305 9.36872 10.6306 -74.8364 2.72956 9.36875 2.72959 -0.903099 GPRESSAVG: 4940400 114.555 12.8632 8.55295 8.55663 -73.1764 0.829073 9.06449 3.74753 -2.11222 TIMING: 4940400 CPU: 15661.8, 0.00320702/step Wall: 15661.8, 0.00320702/step, 0.0530939 hours remaining, 239.527344 MB of memory in use. ENERGY: 4940400 4004.2377 20445.9546 14502.1301 250.9520 -203173.0195 2234.8801 0.0000 0.0000 52288.8486 -109446.0164 300.5047 -161734.8650 -109072.3118 299.7503 28.8441 56.9143 761030.3788 13.2481 13.0889 PRESSURE: 4940600 -26.0011 -53.9198 80.7367 -53.9198 -5.29047 -61.3969 80.7372 -61.3967 -105.942 GPRESSURE: 4940600 -37.5916 7.57721 14.9824 -83.0296 44.0637 -159.805 -18.8298 122.152 -76.5679 PRESSAVG: 4940600 61.7931 -16.5638 -28.6087 -16.5637 -28.5433 -60.633 -28.6086 -60.633 6.71346 GPRESSAVG: 4940600 63.1817 -16.7925 -29.7341 -14.9137 -30.5821 -60.0866 -28.0274 -62.0106 7.39261 TIMING: 4940600 CPU: 15662.4, 0.00314845/step Wall: 15662.4, 0.00314845/step, 0.0519494 hours remaining, 239.527344 MB of memory in use. ENERGY: 4940600 3978.4837 20455.7263 14389.4687 243.8203 -203430.9247 2483.0611 0.0000 0.0000 52133.2329 -109747.1317 299.6104 -161880.3645 -109377.8534 298.9369 -45.7446 -23.3653 761918.1188 13.3211 13.3307 PRESSURE: 4940800 17.759 -17.2002 -436.501 -17.2 141.193 -192.41 -436.502 -192.41 284.514 GPRESSURE: 4940800 24.4585 77.009 -469.226 -63.3193 221.207 -148.026 -377.931 -15.1668 281.561 PRESSAVG: 4940800 24.3073 1.23728 -22.8011 1.23732 12.1679 -45.1835 -22.8011 -45.1836 -3.41163 GPRESSAVG: 4940800 24.0875 -0.184758 -21.2047 0.625494 13.1812 -44.6495 -23.0654 -45.7676 -5.02381 TIMING: 4940800 CPU: 15663.1, 0.00313944/step Wall: 15663.1, 0.00313944/step, 0.0516264 hours remaining, 239.527344 MB of memory in use. ENERGY: 4940800 3869.5579 20554.2087 14427.5764 256.7957 -204092.7281 3058.4336 0.0000 0.0000 52167.0407 -109759.1151 299.8047 -161926.1558 -109395.1414 298.4301 147.8220 175.7422 759715.3266 11.0212 10.7483 PRESSURE: 4941000 -79.9304 -32.3929 121.053 -32.3934 -269.961 558.996 121.053 558.996 -214.177 GPRESSURE: 4941000 -91.1883 -56.5123 115.655 -14.8155 -263.652 485.164 101.424 477.414 -130.733 PRESSAVG: 4941000 -23.4452 1.95692 8.93291 1.95698 0.717823 -37.1576 8.93294 -37.1577 -13.3581 GPRESSAVG: 4941000 -23.6935 0.195931 8.8577 3.07089 -0.341181 -37.0823 7.9711 -36.6944 -11.9727 TIMING: 4941000 CPU: 15663.7, 0.00313137/step Wall: 15663.7, 0.00313137/step, 0.0513197 hours remaining, 239.527344 MB of memory in use. ENERGY: 4941000 3932.4537 20541.1750 14441.5729 223.8509 -202968.5827 2237.9809 0.0000 0.0000 51837.5541 -109753.9952 297.9111 -161591.5493 -109406.0583 298.3518 -188.0231 -161.8578 761526.3372 -12.0285 -12.0025 PRESSURE: 4941200 227.887 322.611 -154.209 322.612 -351.28 300.71 -154.209 300.71 3.86133 GPRESSURE: 4941200 208.956 250.851 -158.588 393.473 -280.92 217.526 -152.971 386.862 22.3138 PRESSAVG: 4941200 -6.1373 29.291 55.8606 29.2909 30.813 -7.39236 55.8606 -7.39241 3.39787 GPRESSAVG: 4941200 -6.98521 31.1586 56.4389 27.9539 32.1738 -8.46596 57.3767 -6.72353 2.9189 TIMING: 4941200 CPU: 15664.3, 0.00313776/step Wall: 15664.3, 0.00313776/step, 0.05125 hours remaining, 239.527344 MB of memory in use. ENERGY: 4941200 3898.3405 20683.6368 14395.0683 259.1760 -202752.8220 2140.2879 0.0000 0.0000 51535.8957 -109840.4169 296.1775 -161376.3126 -109479.7143 298.4850 -39.8438 -16.5500 760433.6348 9.3579 9.3692 PRESSURE: 4941400 -71.3972 5.29452 120.688 5.29476 161.763 96.8981 120.687 96.8988 262.103 GPRESSURE: 4941400 -25.0797 19.3672 40.185 17.1494 179.891 163.607 82.0544 -28.6059 291.004 PRESSAVG: 4941400 19.0218 13.7012 17.3821 13.7012 -53.599 2.47327 17.3821 2.47327 -5.18549 GPRESSAVG: 4941400 19.0981 14.4015 16.0517 13.3521 -54.4166 4.84309 17.1022 1.05359 -3.84399 TIMING: 4941400 CPU: 15664.9, 0.00314184/step Wall: 15664.9, 0.00314184/step, 0.0511421 hours remaining, 239.527344 MB of memory in use. ENERGY: 4941400 3863.5309 20411.6430 14405.5245 258.5802 -203600.9862 2700.5503 0.0000 0.0000 51974.9620 -109986.1952 298.7008 -161961.1572 -109613.8906 298.3238 117.4894 148.6050 761864.5536 -13.2542 -13.0542 PRESSURE: 4941600 375.261 -58.9518 -46.4877 -58.9505 -271.718 1.43989 -46.4874 1.44036 265.901 GPRESSURE: 4941600 473.824 -76.998 -50.5866 58.9955 -246.634 53.1699 -117.503 -2.13605 219.508 PRESSAVG: 4941600 64.1038 -10.3081 4.35944 -10.3082 -83.3914 -40.72 4.35945 -40.72 9.54187 GPRESSAVG: 4941600 64.9746 -11.6491 3.1182 -8.4195 -82.4102 -42.1051 4.81899 -39.2613 7.84611 TIMING: 4941600 CPU: 15665.6, 0.00315367/step Wall: 15665.6, 0.00315367/step, 0.0511595 hours remaining, 239.527344 MB of memory in use. ENERGY: 4941600 3907.9835 20417.0890 14432.5823 248.5246 -203475.8216 2538.0877 0.0000 0.0000 51963.6240 -109967.9305 298.6357 -161931.5545 -109600.7813 298.1650 123.1480 148.8994 761439.8728 -3.2486 -3.1965 PRESSURE: 4941800 208.818 32.448 -52.3596 32.4474 -44.5811 135.254 -52.3592 135.255 -170.152 GPRESSURE: 4941800 216.45 8.22714 -33.4911 -108.656 -26.895 186.651 81.422 88.4165 -116.262 PRESSAVG: 4941800 39.0464 -0.898865 44.9842 -0.898781 -32.5625 -3.1605 44.9841 -3.16053 8.93258 GPRESSAVG: 4941800 39.1987 -0.669214 46.1162 -2.99942 -33.2699 -2.06302 46.7516 -2.16958 9.93064 TIMING: 4941800 CPU: 15666.2, 0.00312822/step Wall: 15666.2, 0.00312822/step, 0.0505728 hours remaining, 239.527344 MB of memory in use. ENERGY: 4941800 3966.0542 20313.3033 14434.7607 223.9679 -203313.8830 2548.1498 0.0000 0.0000 51811.8262 -110015.8208 297.7633 -161827.6470 -109656.5287 298.3765 -1.9717 24.4309 762248.1843 5.1388 5.2865 PRESSURE: 4942000 -346.915 -73.3886 -178.845 -73.3881 -116.829 23.416 -178.846 23.4151 -96.068 GPRESSURE: 4942000 -380.814 -88.4532 -107.115 -41.0335 -20.1832 39.2838 -63.6242 -64.1279 -74.3934 PRESSAVG: 4942000 -10.5516 8.46597 -34.2693 8.46594 61.2158 14.709 -34.2693 14.709 5.32484 GPRESSAVG: 4942000 -11.218 8.7398 -33.3283 8.48512 62.136 14.6419 -36.2083 12.1216 4.89355 TIMING: 4942000 CPU: 15666.8, 0.00311719/step Wall: 15666.8, 0.00311719/step, 0.0502213 hours remaining, 239.527344 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: 4942000 4008.3266 20595.1907 14492.6615 235.1852 -203410.8446 2231.0528 0.0000 0.0000 51689.4320 -110158.9960 297.0599 -161848.4280 -109799.0005 298.2800 -186.6040 -158.4634 761013.0194 18.6630 18.6038 PRESSURE: 4942200 -115.745 -156.669 247.392 -156.669 -477.073 -78.9775 247.391 -78.977 555.169 GPRESSURE: 4942200 -141.665 -78.4889 196.408 -105.259 -385.828 -120.401 152.781 -67.7288 581.524 PRESSAVG: 4942200 26.2384 -10.7776 14.6195 -10.7776 -42.1789 -6.60202 14.6196 -6.60203 13.3744 GPRESSAVG: 4942200 24.8298 -9.97325 14.3445 -9.40417 -42.6395 -6.20093 15.8193 -6.66818 15.1852 TIMING: 4942200 CPU: 15667.5, 0.00314097/step Wall: 15667.5, 0.00314097/step, 0.05043 hours remaining, 239.527344 MB of memory in use. ENERGY: 4942200 3974.1849 20504.5379 14360.7667 227.2309 -203188.7811 2281.4054 0.0000 0.0000 51720.7278 -110119.9274 297.2397 -161840.6552 -109763.4178 297.7077 -12.5498 18.0102 760586.0114 -0.8553 -0.8748 PRESSURE: 4942400 179.159 1.35625 -3.62524 1.3567 -129.258 192.36 -3.62536 192.36 340.504 GPRESSURE: 4942400 253.026 52.723 39.3481 -2.05816 -103.567 223.794 -216.977 166.381 335.431 PRESSAVG: 4942400 21.6118 5.79291 7.66817 5.79292 -21.2929 20.5757 7.66814 20.5757 -0.564205 GPRESSAVG: 4942400 23.917 3.97442 7.89065 5.3899 -22.2963 19.1303 6.37828 19.6701 -2.0173 TIMING: 4942400 CPU: 15668.1, 0.00312498/step Wall: 15668.1, 0.00312498/step, 0.0499997 hours remaining, 239.527344 MB of memory in use. ENERGY: 4942400 3969.3729 20402.5033 14441.2649 233.3733 -203570.9730 2605.5586 0.0000 0.0000 51821.0337 -110097.8664 297.8162 -161918.9000 -109737.8946 297.8856 130.1350 161.6299 759796.1727 -0.0817 -0.1322 PRESSURE: 4942600 95.1062 -127.411 -359.371 -127.41 -109.966 -65.2305 -359.372 -65.2295 71.5653 GPRESSURE: 4942600 143.517 -257.218 -326.105 -43.7953 -172.961 26.0645 -470.572 -103.512 188.302 PRESSAVG: 4942600 61.5783 -22.2128 -65.1396 -22.2128 -80.8748 -23.5077 -65.1396 -23.5078 -23.7175 GPRESSAVG: 4942600 61.3625 -22.4843 -66.4511 -22.6929 -81.3485 -22.5239 -64.9223 -23.1289 -23.3592 TIMING: 4942600 CPU: 15668.7, 0.00313195/step Wall: 15668.7, 0.00313195/step, 0.0499372 hours remaining, 239.527344 MB of memory in use. ENERGY: 4942600 3955.1163 20537.7377 14379.3675 247.8978 -203504.8981 2501.4904 0.0000 0.0000 52006.7398 -109876.5486 298.8834 -161883.2883 -109514.6669 298.6337 18.9019 52.9523 760025.1166 -14.3380 -14.4484 PRESSURE: 4942800 -196.34 -132.773 42.2746 -132.773 -239.198 -22.5411 42.2746 -22.5411 0.6909 GPRESSURE: 4942800 -98.1604 -4.5208 70.7183 -218.083 -283.784 13.938 -6.05949 -3.59811 39.4802 PRESSAVG: 4942800 8.40638 -49.1639 -45.334 -49.164 -30.0481 47.7326 -45.3341 47.7325 12.0765 GPRESSAVG: 4942800 7.42162 -48.8423 -45.4369 -47.3593 -29.4768 46.9605 -42.3125 48.3221 12.1484 TIMING: 4942800 CPU: 15669.3, 0.00313862/step Wall: 15669.3, 0.00313862/step, 0.0498692 hours remaining, 239.527344 MB of memory in use. ENERGY: 4942800 4014.2274 20383.4684 14529.6682 235.6779 -203325.4888 2449.4329 0.0000 0.0000 51799.1492 -109913.8648 297.6904 -161713.0140 -109551.5750 298.2922 -144.9491 -114.1547 760636.7184 -3.1884 -3.3022 PRESSURE: 4943000 26.6731 188.163 23.0586 188.162 -53.5189 236.133 23.0581 236.135 213.624 GPRESSURE: 4943000 107.779 245.789 81.9886 182.22 15.6333 206.242 159.648 214.983 169.596 PRESSAVG: 4943000 -1.75299 -41.513 -49.579 -41.513 -7.07269 29.3366 -49.5791 29.3366 12.0316 GPRESSAVG: 4943000 -0.430721 -40.7847 -46.0566 -42.9335 -7.88257 29.5132 -53.5155 29.9005 11.6936 TIMING: 4943000 CPU: 15670, 0.0031326/step Wall: 15670, 0.0031326/step, 0.0495994 hours remaining, 239.527344 MB of memory in use. ENERGY: 4943000 3966.8176 20395.5219 14498.6244 232.7168 -203367.4755 2463.6193 0.0000 0.0000 52033.1216 -109777.0540 299.0351 -161810.1756 -109413.1715 298.4408 62.2594 97.6692 759667.3351 1.0686 1.1268 PRESSURE: 4943200 77.877 11.5452 -39.8882 11.545 132.414 40.8899 -39.8873 40.891 286.14 GPRESSURE: 4943200 91.8973 20.8197 -12.6793 -20.673 204.009 120.573 80.2707 38.4829 288.83 PRESSAVG: 4943200 55.3383 -22.0413 -49.6466 -22.0412 -46.9441 44.5541 -49.6466 44.5541 1.31149 GPRESSAVG: 4943200 54.8886 -20.1873 -52.4561 -24.074 -46.8433 44.6545 -46.916 43.4481 1.18995 TIMING: 4943200 CPU: 15670.6, 0.00311886/step Wall: 15670.6, 0.00311886/step, 0.0492087 hours remaining, 239.527344 MB of memory in use. ENERGY: 4943200 3914.8549 20410.5752 14455.8239 254.4423 -203298.1459 2352.6321 0.0000 0.0000 52148.0138 -109761.8038 299.6954 -161909.8176 -109389.8717 298.8451 165.4770 194.9122 759966.3438 3.2352 3.0784 PRESSURE: 4943400 -91.7769 -190.494 269.118 -190.494 -259.196 0.952433 269.118 0.951728 244.297 GPRESSURE: 4943400 -8.54769 -71.9266 226.575 -134.226 -267.779 5.18256 212.191 -31.4856 267.098 PRESSAVG: 4943400 -7.05422 1.51871 35.745 1.5187 1.88856 12.8756 35.745 12.8756 -6.67983 GPRESSAVG: 4943400 -7.89685 0.482987 36.544 2.59734 0.958553 12.541 34.9238 13.1116 -4.64693 TIMING: 4943400 CPU: 15671.2, 0.00312216/step Wall: 15671.2, 0.00312216/step, 0.0490873 hours remaining, 239.527344 MB of memory in use. ENERGY: 4943400 3898.3624 20494.4519 14424.0532 240.7083 -203078.7981 2358.6998 0.0000 0.0000 51923.2185 -109739.3041 298.4035 -161662.5226 -109371.0382 298.6780 -35.5587 -3.0763 761694.6659 -3.9485 -3.8617 PRESSURE: 4943600 112.414 -16.9895 -153.044 -16.9891 -10.048 -346.28 -153.044 -346.279 -111.712 GPRESSURE: 4943600 195.18 -6.15902 -279.351 -61.5057 19.5533 -358.18 -164.082 -422.965 -121.361 PRESSAVG: 4943600 9.88641 -29.0342 41.038 -29.0342 11.6129 -37.9604 41.0379 -37.9604 -1.3672 GPRESSAVG: 4943600 10.7935 -30.6099 41.437 -28.5162 12.44 -39.0535 38.8072 -38.5694 -3.2394 TIMING: 4943600 CPU: 15671.8, 0.00313375/step Wall: 15671.8, 0.00313375/step, 0.0490954 hours remaining, 239.527344 MB of memory in use. ENERGY: 4943600 3910.6831 20421.3971 14443.7027 227.8551 -203419.0145 2691.0524 0.0000 0.0000 51995.2864 -109729.0378 298.8176 -161724.3242 -109368.6009 298.9225 -3.1153 31.1239 761574.1328 6.7107 6.6647 PRESSURE: 4943800 147.897 127.184 -65.3789 127.184 -134.175 225.211 -65.3797 225.209 -200.178 GPRESSURE: 4943800 137.02 175.581 -64.2628 144.282 -6.04975 245.796 -36.8053 179.531 -240.327 PRESSAVG: 4943800 11.1774 9.45786 7.21017 9.45788 14.2968 20.3641 7.21008 20.3641 16.506 GPRESSAVG: 4943800 9.97576 11.1931 8.12616 7.37137 15.3619 22.1856 7.83761 20.7369 16.6726 TIMING: 4943800 CPU: 15672.5, 0.0031219/step Wall: 15672.5, 0.0031219/step, 0.0487363 hours remaining, 239.527344 MB of memory in use. ENERGY: 4943800 3978.8445 20477.3145 14401.1566 253.4679 -203376.7947 2529.3311 0.0000 0.0000 51848.9219 -109887.7583 297.9765 -161736.6802 -109533.1111 298.4862 -62.1517 -36.4525 762102.5447 13.9934 14.0034 PRESSURE: 4944000 101.056 160.666 -144.114 160.665 -373.502 -203.236 -144.113 -203.236 -249.127 GPRESSURE: 4944000 132.724 199.928 -221.192 94.1913 -317.424 -228.799 -213.488 -85.9062 -234.336 PRESSAVG: 4944000 24.7826 -23.1244 -4.69055 -23.1243 -36.7965 34.6363 -4.69048 34.6363 -24.7836 GPRESSAVG: 4944000 26.3839 -25.2198 -6.29307 -21.781 -37.1416 33.2675 -3.61041 35.3723 -25.7831 TIMING: 4944000 CPU: 15673.1, 0.00311817/step Wall: 15673.1, 0.00311817/step, 0.0485048 hours remaining, 239.527344 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: 4944000 4058.6299 20255.0090 14514.1442 233.9057 -203666.3891 2483.4280 0.0000 0.0000 52051.3004 -110069.9718 299.1395 -162121.2722 -109717.9010 298.7897 -173.8579 -139.6787 761564.3003 -12.2658 -12.1803 PRESSURE: 4944200 -85.1905 70.4392 138.699 70.439 -343.151 -29.0396 138.699 -29.0401 34.8892 GPRESSURE: 4944200 -132.563 69.0578 151.673 96.7951 -287.134 -34.3267 52.4519 65.6816 108.499 PRESSAVG: 4944200 27.3392 -70.4333 -28.1594 -70.4333 -9.40951 -39.5362 -28.1594 -39.5363 -31.6211 GPRESSAVG: 4944200 25.9432 -68.5503 -25.8458 -71.0543 -9.35893 -38.2379 -28.9305 -37.7729 -30.9386 TIMING: 4944200 CPU: 15673.7, 0.00313069/step Wall: 15673.7, 0.00313069/step, 0.0485258 hours remaining, 239.527344 MB of memory in use. ENERGY: 4944200 3969.4830 20313.2441 14388.0231 255.5907 -203086.8178 2302.8778 0.0000 0.0000 51699.8071 -110157.7920 297.1195 -161857.5991 -109806.8408 297.9921 -131.1508 -103.7328 761161.0979 -4.5638 -4.7848 LDB: ============= START OF LOAD BALANCING ============== 15686.2 LDB: ============== END OF LOAD BALANCING =============== 15686.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15686.2 LDB: ============= START OF LOAD BALANCING ============== 15686.5 LDB: Largest compute 7066 load 0.032076 is 16.4% of average load 0.195352 LDB: Average compute 0.004407 is 2.3% of average load 0.195352 LDB: TIME 15686.5 LOAD: AVG 0.195352 MAX 0.221492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.551 MB LDB: TIME 15686.5 LOAD: AVG 0.195352 MAX 0.221492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: TIME 15686.5 LOAD: AVG 0.195352 MAX 0.214966 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.754 MB LDB: ============== END OF LOAD BALANCING =============== 15686.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15686.5 PRESSURE: 4944400 -90.8592 -8.92772 86.9857 -8.92771 -166.509 157.835 86.9861 157.836 -42.961 GPRESSURE: 4944400 -74.1671 -28.7438 137.357 133.306 -56.3582 154.022 50.7878 81.1272 -66.6334 PRESSAVG: 4944400 6.74219 2.92521 -7.2392 2.92527 -10.3295 17.9264 -7.23921 17.9264 10.2319 GPRESSAVG: 4944400 7.35875 1.69246 -8.04779 3.75271 -11.909 15.7874 -7.3484 18.4004 10.1559 TIMING: 4944400 CPU: 15674.3, 0.00319776/step Wall: 15674.3, 0.00319775/step, 0.0493875 hours remaining, 240.039062 MB of memory in use. ENERGY: 4944400 4008.4652 20460.0546 14465.7223 243.1901 -203287.8288 2509.0467 0.0000 0.0000 51570.6344 -110030.7155 296.3771 -161601.3499 -109682.9444 297.7993 -100.1096 -65.7196 760407.5804 2.2149 1.8685 PRESSURE: 4944600 93.0345 -161.183 -145.709 -161.183 254.455 -125.461 -145.708 -125.461 -27.8318 GPRESSURE: 4944600 170.303 -157.636 -187.257 -148.27 179.099 -120.93 -97.2771 -54.1115 65.7097 PRESSAVG: 4944600 15.4464 8.00424 22.5105 8.00423 -12.6534 13.7967 22.5105 13.7967 6.34242 GPRESSAVG: 4944600 16.7405 8.32097 20.2173 6.84027 -11.459 14.5173 24.299 12.4504 4.75548 TIMING: 4944600 CPU: 15675, 0.00313868/step Wall: 15675, 0.00313868/step, 0.0483008 hours remaining, 240.039062 MB of memory in use. ENERGY: 4944600 4007.1240 20376.0087 14458.2219 259.9457 -203576.7980 2708.2439 0.0000 0.0000 51688.8881 -110078.3657 297.0568 -161767.2539 -109711.4984 298.1201 106.5524 138.3706 759139.3322 3.0451 3.3457 PRESSURE: 4944800 272.581 61.0013 -61.3855 61.0017 55.0488 63.5817 -61.3856 63.5818 283.319 GPRESSURE: 4944800 354.876 27.9889 -92.1006 -0.0579552 65.3028 74.4169 -167.938 -29.1567 275.837 PRESSAVG: 4944800 -12.8226 10.1964 -43.5637 10.1965 32.4291 16.0709 -43.5636 16.0709 8.31739 GPRESSAVG: 4944800 -13.9541 9.45191 -41.9678 10.49 31.3913 17.067 -44.0448 14.6922 10.2772 TIMING: 4944800 CPU: 15675.6, 0.00311272/step Wall: 15675.6, 0.00311272/step, 0.0477284 hours remaining, 240.039062 MB of memory in use. ENERGY: 4944800 3981.7877 20467.2266 14521.4876 258.7793 -203554.2572 2492.9443 0.0000 0.0000 51813.0928 -110018.9389 297.7706 -161832.0317 -109651.1039 297.7756 203.6497 232.0052 758595.7140 9.3080 9.2381 PRESSURE: 4945000 -21.367 218.554 -94.5506 218.555 -331.925 -35.3433 -94.5504 -35.3433 -529.62 GPRESSURE: 4945000 39.8421 276.71 -82.3338 249.236 -292.712 21.9086 -92.4851 -73.4254 -544.804 PRESSAVG: 4945000 25.6172 -6.12582 -34.2252 -6.12588 -4.12229 -28.3826 -34.2252 -28.3826 -24.068 GPRESSAVG: 4945000 25.1885 -7.84689 -33.3215 -3.61852 -3.90486 -28.1423 -33.7466 -27.9402 -24.3919 TIMING: 4945000 CPU: 15676.2, 0.00312339/step Wall: 15676.2, 0.00312339/step, 0.0477184 hours remaining, 240.039062 MB of memory in use. ENERGY: 4945000 3968.1284 20377.2543 14447.6308 248.4259 -203054.5463 2138.0365 0.0000 0.0000 52241.1693 -109633.9011 300.2307 -161875.0704 -109270.0788 299.0725 -294.3039 -265.8916 759940.7974 -0.8577 -1.0361 PRESSURE: 4945200 17.8678 -268.634 -111.212 -268.635 54.5391 -99.4139 -111.212 -99.4126 70.6964 GPRESSURE: 4945200 70.2751 -360.303 -91.3573 -270.431 140.662 -45.1706 -144.797 69.1349 15.7193 PRESSAVG: 4945200 17.0971 -18.8877 -34.3241 -18.8877 15.5502 -5.19697 -34.3241 -5.19698 12.4284 GPRESSAVG: 4945200 17.9037 -15.286 -34.6788 -20.6527 15.4205 -5.42318 -36.1612 -4.97291 12.3054 TIMING: 4945200 CPU: 15676.8, 0.00313136/step Wall: 15676.8, 0.00313136/step, 0.0476663 hours remaining, 240.039062 MB of memory in use. ENERGY: 4945200 4013.4006 20499.1906 14524.0840 253.7477 -204043.0542 2972.6340 0.0000 0.0000 52098.4459 -109681.5514 299.4105 -161779.9973 -109325.5296 299.2429 47.7011 75.5522 758686.8599 15.0253 15.2099 PRESSURE: 4945400 -60.7821 124.882 -99.0962 124.882 79.0735 -70.5273 -99.0956 -70.5279 303.355 GPRESSURE: 4945400 -94.6286 66.123 -87.3695 120.754 203.982 -96.3917 -119.431 -105.874 300.217 PRESSAVG: 4945400 14.9704 -22.137 -36.4071 -22.1369 5.70368 28.1221 -36.4071 28.1221 2.4269 GPRESSAVG: 4945400 13.6802 -24.7339 -36.8352 -22.0104 6.40445 27.948 -36.2889 30.0761 3.02805 TIMING: 4945400 CPU: 15677.5, 0.00313814/step Wall: 15677.5, 0.00313814/step, 0.0475952 hours remaining, 240.039062 MB of memory in use. ENERGY: 4945400 3963.8461 20524.1079 14450.8959 239.3041 -203787.2386 2706.0361 0.0000 0.0000 52077.0013 -109826.0472 299.2872 -161903.0485 -109466.4564 299.1955 107.2153 136.5236 760111.2805 7.7003 7.7042 PRESSURE: 4945600 -88.0441 85.0746 -35.1221 85.0746 -30.1569 43.2562 -35.1224 43.257 -62.0983 GPRESSURE: 4945600 -113.556 108.684 12.5634 91.8377 26.3994 32.9084 -68.6958 -38.0011 11.0162 PRESSAVG: 4945600 -21.3528 0.266313 4.52347 0.266354 -6.47177 -6.47017 4.5235 -6.47012 -48.9806 GPRESSAVG: 4945600 -20.1051 0.615482 5.8711 0.391793 -6.02654 -6.70537 4.82078 -7.91096 -50.5997 TIMING: 4945600 CPU: 15678.1, 0.0031133/step Wall: 15678.1, 0.0031133/step, 0.0470454 hours remaining, 240.039062 MB of memory in use. ENERGY: 4945600 4002.5326 20372.2852 14425.5711 249.8089 -203706.3401 2489.5268 0.0000 0.0000 52025.0966 -110141.5189 298.9889 -162166.6155 -109775.4351 298.4122 -60.0997 -25.3801 761169.1917 -25.6017 -25.5771 PRESSURE: 4945800 218.691 321.404 225.438 321.404 -275.823 -129.187 225.437 -129.186 127.044 GPRESSURE: 4945800 189.08 196.38 192.943 329.276 -224.946 -54.8982 95.8942 -52.8001 181.486 PRESSAVG: 4945800 -2.8157 16.0271 -14.8152 16.0271 6.39875 15.0927 -14.8152 15.0927 20.5194 GPRESSAVG: 4945800 -3.09934 15.3254 -16.0736 16.3225 5.87315 16.0536 -15.3369 15.1801 20.8854 TIMING: 4945800 CPU: 15678.7, 0.00311356/step Wall: 15678.7, 0.00311356/step, 0.0468764 hours remaining, 240.039062 MB of memory in use. ENERGY: 4945800 3986.8435 20506.4997 14459.1145 271.4097 -203171.2619 2295.1534 0.0000 0.0000 51768.2077 -109884.0333 297.5126 -161652.2410 -109522.6205 298.2679 23.3039 48.5398 761212.0456 8.0341 7.8864 PRESSURE: 4946000 -221.37 46.5758 -77.0458 46.5759 -213.058 16.7189 -77.0462 16.7178 -426.134 GPRESSURE: 4946000 -151.684 62.7688 -42.8495 47.7883 -249.248 49.7588 -150.209 -17.2812 -387.379 PRESSAVG: 4946000 -10.1564 -27.6069 -24.8322 -27.6069 8.16427 27.8982 -24.8321 27.8981 1.70538 GPRESSAVG: 4946000 -11.7295 -26.773 -24.9756 -27.0066 8.26758 27.072 -24.3802 28.5715 2.43962 TIMING: 4946000 CPU: 15679.3, 0.00311374/step Wall: 15679.3, 0.00311374/step, 0.0467062 hours remaining, 240.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4946000 3991.1801 20422.4132 14494.6216 238.2124 -203300.3024 2122.4528 0.0000 0.0000 52054.2321 -109977.1901 299.1564 -162031.4222 -109615.5957 298.6100 -286.8541 -262.7702 761040.2165 -0.0956 -0.3408 PRESSURE: 4946200 -136.483 -289.503 123.732 -289.505 153.587 -27.0523 123.732 -27.0525 9.47986 GPRESSURE: 4946200 -56.0525 -250.617 93.1593 -148.404 200.503 70.6219 88.1713 -139.315 -23.6412 PRESSAVG: 4946200 1.86748 -11.3419 -0.378933 -11.3419 28.4427 17.9073 -0.37892 17.9073 -6.59664 GPRESSAVG: 4946200 2.98354 -10.3337 -1.2674 -12.5883 28.2337 15.989 0.232055 16.5379 -7.4174 TIMING: 4946200 CPU: 15680, 0.00311302/step Wall: 15680, 0.00311302/step, 0.0465223 hours remaining, 240.039062 MB of memory in use. ENERGY: 4946200 3998.4407 20434.6811 14489.8866 241.6741 -203837.4332 2705.3769 0.0000 0.0000 52031.6652 -109935.7085 299.0267 -161967.3737 -109569.9659 298.7337 8.8611 40.2698 760198.3953 7.9045 7.9333 PRESSURE: 4946400 -39.2052 55.7199 -225.791 55.7197 -37.177 62.4188 -225.791 62.4192 418.644 GPRESSURE: 4946400 -32.548 51.69 -235.078 -49.1183 92.5092 50.4911 -212.506 49.0025 396.729 PRESSAVG: 4946400 15.4004 7.25089 8.60564 7.2509 -25.3064 4.79961 8.60563 4.79962 11.5634 GPRESSAVG: 4946400 14.9628 5.35855 8.59381 7.62634 -25.4245 6.64859 9.23314 5.61077 12.2661 TIMING: 4946400 CPU: 15680.6, 0.00313864/step Wall: 15680.6, 0.00313864/step, 0.0467309 hours remaining, 240.039062 MB of memory in use. ENERGY: 4946400 3952.1093 20489.2421 14423.1024 256.5577 -203587.1000 2605.0541 0.0000 0.0000 52260.0989 -109600.9354 300.3395 -161861.0343 -109229.7681 298.7925 114.0871 152.2302 757588.4835 0.5525 0.6015 PRESSURE: 4946600 291.468 -13.4897 68.4327 -13.4888 -122.33 -31.9387 68.4321 -31.9402 188.465 GPRESSURE: 4946600 297.705 102.983 14.0747 -85.1617 -13.5211 -8.80782 113.211 -36.0465 184.163 PRESSAVG: 4946600 39.3628 -36.5224 8.1502 -36.5225 -8.76123 -15.6139 8.15015 -15.6138 -9.63529 GPRESSAVG: 4946600 39.4933 -37.6483 8.57494 -35.8911 -8.91178 -16.8674 7.77275 -16.8412 -9.6274 TIMING: 4946600 CPU: 15681.2, 0.0031214/step Wall: 15681.2, 0.0031214/step, 0.0463008 hours remaining, 240.039062 MB of memory in use. ENERGY: 4946600 3972.8320 20491.8116 14461.7294 239.9324 -203180.1343 2498.8241 0.0000 0.0000 52070.2577 -109444.7472 299.2485 -161515.0049 -109072.6510 299.2430 119.2009 156.1157 758969.6706 6.9888 6.9847 PRESSURE: 4946800 -167.784 10.4377 88.598 10.437 28.717 -214.076 88.5975 -214.076 -64.9512 GPRESSURE: 4946800 -152.162 -22.2618 47.4729 71.6603 6.26815 -118.193 59.0348 -198.833 31.1628 PRESSAVG: 4946800 -6.97326 -54.1743 14.9588 -54.1743 -41.7694 12.2338 14.9588 12.2339 -24.3727 GPRESSAVG: 4946800 -6.1974 -52.9256 15.2626 -53.3608 -41.2506 14.0095 13.4621 11.6322 -25.877 TIMING: 4946800 CPU: 15681.8, 0.00311682/step Wall: 15681.8, 0.00311682/step, 0.0460596 hours remaining, 240.039062 MB of memory in use. ENERGY: 4946800 4010.0314 20508.3836 14488.3865 261.0319 -203452.8202 2625.7878 0.0000 0.0000 51962.0516 -109597.1474 298.6266 -161559.1990 -109240.0322 299.2573 -68.0060 -38.2436 760396.6292 -24.3718 -24.4417 PRESSURE: 4947000 -480.816 65.6269 47.113 65.6267 -287.234 0.546 47.1136 0.545362 48.7754 GPRESSURE: 4947000 -414.292 78.2039 124.732 128.218 -202.061 31.5094 129.046 41.332 -17.5056 PRESSAVG: 4947000 18.6984 -3.81278 -22.6447 -3.81278 23.909 -23.2985 -22.6446 -23.2985 -25.1236 GPRESSAVG: 4947000 17.7191 -3.00618 -23.4853 -4.2773 24.5695 -22.3099 -21.5391 -22.659 -24.1647 TIMING: 4947000 CPU: 15682.5, 0.00309858/step Wall: 15682.5, 0.00309858/step, 0.045618 hours remaining, 240.039062 MB of memory in use. ENERGY: 4947000 3984.5938 20496.5590 14528.8005 236.6422 -203004.4274 2225.9132 0.0000 0.0000 51886.1449 -109645.7738 298.1904 -161531.9188 -109281.6558 299.0074 -239.7582 -211.2860 761883.6287 5.8279 6.0413 PRESSURE: 4947200 178.335 127.744 -155.673 127.744 539.424 -20.9508 -155.674 -20.9504 110.261 GPRESSURE: 4947200 148.735 43.2189 -131.143 65.9355 577.254 -15.3906 -238.592 -125.828 179.212 PRESSAVG: 4947200 -14.2189 -21.5939 -23.4238 -21.5938 23.766 21.0712 -23.4236 21.0711 16.4138 GPRESSAVG: 4947200 -14.8366 -23.0021 -22.8709 -21.6844 22.1766 20.0051 -23.2377 20.7333 18.2891 TIMING: 4947200 CPU: 15683.1, 0.00309725/step Wall: 15683.1, 0.00309725/step, 0.0454263 hours remaining, 240.039062 MB of memory in use. ENERGY: 4947200 4017.8902 20391.9505 14512.0433 255.8425 -203831.0283 2892.2966 0.0000 0.0000 52024.6206 -109736.3845 298.9862 -161761.0051 -109374.4962 298.6840 276.0067 301.7336 759982.9275 8.6536 8.5430 PRESSURE: 4947400 -161.268 -77.4376 -50.6268 -77.4374 -245.719 -172.88 -50.6272 -172.879 -51.8596 GPRESSURE: 4947400 -165.681 -117.755 -195.618 -22.9592 -207.957 -213.117 147.58 -163.797 3.29088 PRESSAVG: 4947400 -27.9603 -9.78688 -40.429 -9.78684 -3.99337 29.5182 -40.429 29.5182 19.7711 GPRESSAVG: 4947400 -27.7883 -9.50942 -40.0455 -9.68373 -3.47701 29.7722 -41.5137 29.7209 19.3842 TIMING: 4947400 CPU: 15683.7, 0.00311347/step Wall: 15683.7, 0.00311347/step, 0.0454912 hours remaining, 240.039062 MB of memory in use. ENERGY: 4947400 3973.6623 20436.3995 14498.2946 221.7777 -203368.0025 2437.6307 0.0000 0.0000 51949.4919 -109850.7458 298.5544 -161800.2377 -109492.3254 298.5646 -152.9490 -123.4492 761147.0978 -4.0608 -3.9604 PRESSURE: 4947600 -596.726 -222.155 -105.957 -222.155 -210.641 -136.899 -105.958 -136.899 -104.783 GPRESSURE: 4947600 -490.589 -166.167 -97.4951 -277.275 -145.437 -184.341 20.524 -83.0411 -171.859 PRESSAVG: 4947600 -46.1886 6.77014 81.2789 6.77019 27.3234 -20.0585 81.279 -20.0585 25.809 GPRESSAVG: 4947600 -44.9022 7.32873 80.4814 5.57906 27.53 -19.7056 81.7999 -19.2827 24.7725 TIMING: 4947600 CPU: 15684.3, 0.003141/step Wall: 15684.3, 0.003141/step, 0.0457189 hours remaining, 240.039062 MB of memory in use. ENERGY: 4947600 4022.6989 20564.2850 14507.5639 241.5641 -203294.4377 2350.8999 0.0000 0.0000 51832.0736 -109775.3522 297.8796 -161607.4258 -109411.0982 298.3303 -304.0498 -269.2948 761915.9095 2.3146 2.4668 PRESSURE: 4947800 -265.979 -165.701 -26.4605 -165.701 -257.697 86.9659 -26.4615 86.967 -487.154 GPRESSURE: 4947800 -260.556 -152.367 -45.0895 -62.3958 -160.938 15.3537 -191.805 83.1222 -494.193 PRESSAVG: 4947800 12.5683 -19.4826 6.48979 -19.4827 18.5447 -20.0295 6.48979 -20.0295 -26.5185 GPRESSAVG: 4947800 11.0383 -18.4852 7.38708 -18.5768 17.9521 -21.4942 5.91395 -19.8949 -25.1006 TIMING: 4947800 CPU: 15685, 0.00312774/step Wall: 15685, 0.00312774/step, 0.0453523 hours remaining, 240.039062 MB of memory in use. ENERGY: 4947800 3941.1372 20442.1746 14432.0641 257.1687 -203073.0063 2374.1031 0.0000 0.0000 51966.5897 -109659.7688 298.6527 -161626.3585 -109295.6076 298.4866 -336.9434 -305.2288 762085.9117 1.5315 1.2966 PRESSURE: 4948000 -138.486 -145.157 67.1687 -145.157 99.6469 26.578 67.1687 26.5771 34.7953 GPRESSURE: 4948000 -46.5007 -42.4195 71.2869 -30.6461 35.7512 76.3463 71.7016 -1.76859 84.6634 PRESSAVG: 4948000 -5.32893 -3.74261 28.5045 -3.74251 -29.1077 14.8934 28.5045 14.8935 2.20256 GPRESSAVG: 4948000 -4.22957 -3.52803 27.1182 -4.26678 -28.7735 17.0839 31.6061 12.2338 1.39446 TIMING: 4948000 CPU: 15685.6, 0.00314302/step Wall: 15685.6, 0.00314302/step, 0.0453992 hours remaining, 240.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4948000 4024.3046 20465.4425 14387.7716 248.0586 -203576.8911 2732.2225 0.0000 0.0000 52120.7741 -109598.3171 299.5388 -161719.0912 -109227.8858 298.6006 -1.3480 24.6380 761657.2702 -10.7447 -10.5362 PRESSURE: 4948200 -6.01639 132.112 -112.004 132.113 135.888 -197.71 -112.003 -197.711 -349.893 GPRESSURE: 4948200 83.2969 135.503 -55.6496 131.093 104.075 -186.272 -118.02 -100.365 -311.121 PRESSAVG: 4948200 -50.8316 -26.4838 -33.9082 -26.4839 -2.0227 -10.3831 -33.9082 -10.3832 -28.2035 GPRESSAVG: 4948200 -50.7583 -26.5949 -32.5502 -27.7103 -1.8758 -11.371 -37.041 -10.3712 -28.1272 TIMING: 4948200 CPU: 15686.2, 0.00312334/step Wall: 15686.2, 0.00312334/step, 0.0449413 hours remaining, 240.039062 MB of memory in use. ENERGY: 4948200 3981.3387 20575.8914 14412.6376 250.4335 -203503.7701 2647.6111 0.0000 0.0000 52266.2155 -109369.6423 300.3747 -161635.8577 -109010.8741 299.2116 -73.3405 -41.2496 761740.1842 -27.0193 -26.9204 LDB: ============= START OF LOAD BALANCING ============== 15698.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15698.7 LDB: =============== DONE WITH MIGRATION ================ 15698.7 LDB: ============= START OF LOAD BALANCING ============== 15699 LDB: Largest compute 7066 load 0.032507 is 16.6% of average load 0.195490 LDB: Average compute 0.004415 is 2.3% of average load 0.195490 LDB: TIME 15699 LOAD: AVG 0.19549 MAX 0.215452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.039 MB LDB: TIME 15699 LOAD: AVG 0.19549 MAX 0.215452 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: TIME 15699 LOAD: AVG 0.19549 MAX 0.215452 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.043 MB LDB: ============== END OF LOAD BALANCING =============== 15699 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15699 PRESSURE: 4948400 -131.023 50.8915 103.834 50.8919 121.173 65.3209 103.835 65.3208 277.745 GPRESSURE: 4948400 -32.1805 25.7947 74.6116 87.0669 88.1488 93.2087 12.3485 -43.4997 312.514 PRESSAVG: 4948400 -18.1389 -20.3048 2.03648 -20.3047 48.8474 48.0101 2.03652 48.0101 13.7762 GPRESSAVG: 4948400 -16.7555 -20.0109 -0.136765 -19.3605 47.9044 47.9677 2.17606 48.2361 13.6896 TIMING: 4948400 CPU: 15686.8, 0.00319636/step Wall: 15686.8, 0.00319636/step, 0.0458145 hours remaining, 240.550781 MB of memory in use. ENERGY: 4948400 3914.9665 20600.7397 14466.8672 249.4360 -203354.6618 2693.3956 0.0000 0.0000 52044.5480 -109384.7088 299.1007 -161429.2569 -109020.1286 299.5522 89.2982 122.8276 761675.9804 14.8282 14.9462 PRESSURE: 4948600 275.112 -85.9745 7.58229 -85.974 -267.621 -176.683 7.58236 -176.683 85.414 GPRESSURE: 4948600 299.168 -57.7763 -3.53681 -9.92202 -200.1 -91.7687 108.769 -146.038 75.0997 PRESSAVG: 4948600 0.943429 -19.1031 -14.9003 -19.1031 38.6919 -13.1009 -14.9003 -13.101 18.5206 GPRESSAVG: 4948600 -0.122666 -21.3958 -12.071 -17.7789 40.3597 -13.1701 -14.6161 -13.759 18.2776 TIMING: 4948600 CPU: 15687.5, 0.00313498/step Wall: 15687.5, 0.00313498/step, 0.0447606 hours remaining, 240.550781 MB of memory in use. ENERGY: 4948600 3983.1915 20600.9333 14483.9352 249.5801 -203149.2191 2375.0228 0.0000 0.0000 52064.8859 -109391.6702 299.2176 -161456.5562 -109015.2132 299.2665 30.9686 58.0561 760286.9103 19.3853 19.5049 PRESSURE: 4948800 303.572 -193.759 -106.813 -193.759 88.8556 53.2118 -106.812 53.2126 -50.2894 GPRESSURE: 4948800 284.5 -124.644 -60.7594 -96.0823 229.626 38.8979 -175.342 108.007 -78.1822 PRESSAVG: 4948800 6.90175 27.5957 -19.7034 27.5956 12.6181 -38.4906 -19.7033 -38.4905 27.423 GPRESSAVG: 4948800 7.8652 30.2012 -20.3856 27.2833 12.4764 -39.3322 -18.3209 -37.4311 26.8082 TIMING: 4948800 CPU: 15688.1, 0.00311299/step Wall: 15688.1, 0.00311299/step, 0.0442737 hours remaining, 240.550781 MB of memory in use. ENERGY: 4948800 3986.1177 20585.5966 14442.6197 248.5353 -203532.6130 2659.5796 0.0000 0.0000 52217.0786 -109393.0855 300.0923 -161610.1641 -109026.2111 299.5452 114.0461 145.3145 759985.6686 15.6476 15.7166 PRESSURE: 4949000 164.66 -166.159 103.012 -166.159 305.647 163.951 103.012 163.95 255.078 GPRESSURE: 4949000 172.78 -184.937 110.061 -150.412 388.919 117.891 16.6857 172.886 257.127 PRESSAVG: 4949000 -38.7305 -96.0456 -24.4427 -96.0455 -5.97601 21.5439 -24.4428 21.544 4.15418 GPRESSAVG: 4949000 -39.3584 -95.9704 -23.182 -95.1972 -5.25268 22.0368 -25.8976 20.9563 4.36001 TIMING: 4949000 CPU: 15688.7, 0.00313263/step Wall: 15688.7, 0.00313263/step, 0.044379 hours remaining, 240.550781 MB of memory in use. ENERGY: 4949000 3917.3080 20607.6178 14436.7953 227.9571 -203413.7250 2525.2536 0.0000 0.0000 52131.6248 -109567.1685 299.6012 -161698.7933 -109203.2560 299.2531 241.7951 272.9420 759980.1050 -13.5174 -13.4170 PRESSURE: 4949200 -321.979 29.9731 141.439 29.9735 12.8664 104.76 141.438 104.76 52.5299 GPRESSURE: 4949200 -253.452 122.904 74.8371 -106.123 -57.057 166.534 69.8935 34.3927 123.457 PRESSAVG: 4949200 11.1489 -37.2444 1.22688 -37.2444 3.55707 25.5713 1.22692 25.5713 4.68724 GPRESSAVG: 4949200 11.4401 -38.6858 0.576302 -38.5042 2.10481 25.757 1.18185 24.9327 6.33748 TIMING: 4949200 CPU: 15689.4, 0.00313277/step Wall: 15689.4, 0.00313277/step, 0.0442068 hours remaining, 240.550781 MB of memory in use. ENERGY: 4949200 4000.0230 20458.1793 14539.0944 251.2223 -203482.9265 2505.8663 0.0000 0.0000 52043.5202 -109685.0211 299.0948 -161728.5413 -109314.3150 299.2879 -85.5277 -62.3506 760656.1070 6.4644 6.6275 PRESSURE: 4949400 30.7825 66.8487 -118.433 66.8469 -285.679 -31.2213 -118.433 -31.222 27.686 GPRESSURE: 4949400 54.703 8.77004 -115.774 79.4237 -225.278 -13.6673 -184.008 39.5357 45.5213 PRESSAVG: 4949400 -49.0403 -10.5987 42.65 -10.5987 20.409 -8.2022 42.6499 -8.20233 5.76667 GPRESSAVG: 4949400 -49.2009 -8.55464 41.9639 -12.2395 21.2565 -6.97892 43.9363 -5.68753 4.88367 TIMING: 4949400 CPU: 15690, 0.00313727/step Wall: 15690, 0.00313727/step, 0.0440961 hours remaining, 240.550781 MB of memory in use. ENERGY: 4949400 3939.1863 20505.5490 14481.8517 238.4462 -203419.6889 2608.9522 0.0000 0.0000 51960.6517 -109685.0518 298.6186 -161645.7035 -109311.7857 298.8709 -75.7370 -41.6846 760371.0470 -7.6215 -7.6869 PRESSURE: 4949600 316.016 -131.032 123.48 -131.033 -21.9391 107.964 123.48 107.964 -278.01 GPRESSURE: 4949600 418.261 -133.006 57.7234 -160.289 -20.335 93.114 72.6435 23.3379 -279.828 PRESSAVG: 4949600 15.6367 61.4148 35.9099 61.4148 3.89211 -41.5894 35.9098 -41.5894 1.58244 GPRESSAVG: 4949600 16.7927 59.3104 36.4999 63.7066 3.72121 -42.4221 35.1147 -41.9606 0.960974 TIMING: 4949600 CPU: 15690.6, 0.00313156/step Wall: 15690.6, 0.00313156/step, 0.0438418 hours remaining, 240.550781 MB of memory in use. ENERGY: 4949600 3988.4655 20561.3126 14458.6820 251.8706 -203692.5303 2695.2832 0.0000 0.0000 52002.3234 -109734.5931 298.8581 -161736.9165 -109375.7942 298.6980 5.3556 39.3661 757917.5145 7.0371 7.1583 PRESSURE: 4949800 277.484 -68.8889 270.223 -68.8884 0.0227168 -56.803 270.223 -56.8034 -384.319 GPRESSURE: 4949800 278.056 -47.301 245.525 -131.219 65.8839 -87.9024 292.177 101.599 -378.516 PRESSAVG: 4949800 40.6662 -52.2226 6.37028 -52.2227 -49.5718 -31.1298 6.37032 -31.1298 -4.43943 GPRESSAVG: 4949800 39.7772 -50.0431 7.61214 -53.155 -48.2772 -32.3938 6.22591 -32.279 -4.75423 TIMING: 4949800 CPU: 15691.2, 0.00314501/step Wall: 15691.2, 0.00314501/step, 0.0438555 hours remaining, 240.550781 MB of memory in use. ENERGY: 4949800 3954.4099 20474.1380 14455.4993 249.1067 -203594.7345 2657.2432 0.0000 0.0000 51600.9542 -110203.3833 296.5514 -161804.3375 -109851.0167 298.1023 -35.6040 -11.5254 759811.6685 -4.4484 -4.4181 PRESSURE: 4950000 150.006 -59.7 -163.008 -59.6994 262.307 -76.9768 -163.008 -76.9775 90.6167 GPRESSURE: 4950000 169.038 23.251 -170.792 -48.2453 282.855 -79.7525 -198.09 -75.5655 143.92 PRESSAVG: 4950000 21.7053 -31.0881 8.21574 -31.0881 -11.6985 4.68582 8.21571 4.6858 -20.6645 GPRESSAVG: 4950000 22.6016 -31.4968 6.88558 -31.2889 -12.656 5.64956 7.94227 5.60464 -19.8949 TIMING: 4950000 CPU: 15691.9, 0.00312656/step Wall: 15691.9, 0.00312656/step, 0.0434244 hours remaining, 240.550781 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: 4950000 3923.6598 20436.0224 14381.5630 239.8638 -203807.6990 2732.2368 0.0000 0.0000 52127.6257 -109966.7275 299.5782 -162094.3531 -109604.5216 297.9848 167.6430 198.6045 757635.6841 -3.5526 -3.3164 PRESSURE: 4950200 -83.9388 -52.9794 -290.827 -52.9795 -31.9772 4.46622 -290.827 4.4656 -72.1154 GPRESSURE: 4950200 -137.374 -22.1615 -214.58 -95.3778 46.7601 30.1963 -131.043 -128.825 -9.92439 PRESSAVG: 4950200 -4.99288 11.2847 26.3342 11.2847 4.12689 38.8349 26.3342 38.8348 -7.7323 GPRESSAVG: 4950200 -4.96527 11.2008 24.3052 13.3627 4.2936 37.6475 27.0117 39.3688 -8.12426 TIMING: 4950200 CPU: 15692.5, 0.00311787/step Wall: 15692.5, 0.00311787/step, 0.0431306 hours remaining, 240.550781 MB of memory in use. ENERGY: 4950200 4002.3620 20574.5694 14459.3297 234.2048 -203980.3346 2805.2580 0.0000 0.0000 51944.2965 -109960.3142 298.5246 -161904.6107 -109604.9761 298.9135 -62.6771 -33.5128 759214.8509 -2.8661 -2.9320 PRESSURE: 4950400 170.218 32.3748 66.5022 32.3746 126.462 82.6685 66.5017 82.6678 86.4515 GPRESSURE: 4950400 305.744 -77.8742 17.7316 -114.399 114.903 131.426 60.9082 -57.5699 61.1957 PRESSAVG: 4950400 44.9335 40.0628 18.913 40.0628 -46.7705 -7.99759 18.913 -7.99755 14.4135 GPRESSAVG: 4950400 44.2183 39.4863 19.1096 36.2835 -46.709 -9.42933 20.245 -10.0828 14.9834 TIMING: 4950400 CPU: 15693.1, 0.00312152/step Wall: 15693.1, 0.00312152/step, 0.0430076 hours remaining, 240.550781 MB of memory in use. ENERGY: 4950400 3983.9941 20515.7205 14372.3286 239.0861 -203901.4849 2858.8856 0.0000 0.0000 51952.0050 -109979.4650 298.5689 -161931.4700 -109626.4298 298.4453 127.7102 160.6143 759174.8586 4.1922 4.1642 PRESSURE: 4950600 40.5423 104.287 -49.3232 104.287 -37.2225 99.3624 -49.3232 99.3609 90.7618 GPRESSURE: 4950600 -10.6182 110.953 -77.6074 100.111 27.2225 37.6326 83.2514 249.188 144.581 PRESSAVG: 4950600 68.5163 -16.6127 23.3167 -16.6128 -65.6197 5.79413 23.3168 5.79411 -8.52197 GPRESSAVG: 4950600 68.4319 -18.4613 23.5361 -13.9287 -65.5966 8.23805 21.3874 7.83685 -8.68448 TIMING: 4950600 CPU: 15693.7, 0.00312772/step Wall: 15693.7, 0.00312772/step, 0.0429193 hours remaining, 240.550781 MB of memory in use. ENERGY: 4950600 3972.4753 20604.7068 14501.5425 254.6438 -203973.1085 2854.7065 0.0000 0.0000 51869.5519 -109915.4818 298.0950 -161785.0337 -109561.8866 298.7844 31.3605 53.7284 759855.0146 -1.8751 -1.9497 PRESSURE: 4950800 214.379 78.7073 -232.042 78.7083 153.229 136.707 -232.043 136.706 -42.9818 GPRESSURE: 4950800 237.398 25.9584 -298.444 97.1873 120.946 120.391 -157.683 16.1216 50.9946 PRESSAVG: 4950800 -4.8087 19.4303 17.7557 19.4304 9.17004 24.736 17.7558 24.7361 7.52756 GPRESSAVG: 4950800 -4.60366 21.3972 16.0915 19.8325 8.33881 25.5327 21.5692 22.7393 8.3559 TIMING: 4950800 CPU: 15694.4, 0.00311533/step Wall: 15694.4, 0.00311533/step, 0.0425762 hours remaining, 240.550781 MB of memory in use. ENERGY: 4950800 3961.2349 20475.3448 14492.2539 246.6037 -203769.1237 2551.3321 0.0000 0.0000 52112.0555 -109930.2987 299.4887 -162042.3543 -109573.2039 298.9099 108.2089 136.4463 758427.4289 3.9630 4.0303 PRESSURE: 4951000 30.7843 18.0752 21.791 18.074 -314.626 -67.5801 21.7899 -67.5793 91.9978 GPRESSURE: 4951000 -21.722 7.81934 32.6121 -66.5976 -168.522 -92.0534 -37.9952 46.6874 86.8696 PRESSAVG: 4951000 29.9759 19.2034 9.97563 19.2034 -48.2327 53.4467 9.9756 53.4467 -18.0716 GPRESSAVG: 4951000 30.1239 17.5134 13.0793 19.1209 -47.1928 53.4177 5.76508 52.4629 -19.1258 TIMING: 4951000 CPU: 15695, 0.00312591/step Wall: 15695, 0.00312591/step, 0.0425471 hours remaining, 240.550781 MB of memory in use. ENERGY: 4951000 4019.9021 20362.4837 14462.8249 254.9815 -203946.2119 2639.3615 0.0000 0.0000 52100.6846 -110105.9736 299.4234 -162206.6582 -109741.5779 298.6563 -63.9478 -34.4581 757591.1491 -12.1095 -12.0649 PRESSURE: 4951200 -74.7255 -158.934 79.3538 -158.934 -48.3997 -103.055 79.3534 -103.055 -228.188 GPRESSURE: 4951200 43.1076 -150.4 135.337 -175.749 -142.852 -145.902 21.4184 -4.51486 -180.86 PRESSAVG: 4951200 25.083 -43.2824 4.0562 -43.2824 6.23919 13.6695 4.05622 13.6696 -9.35262 GPRESSAVG: 4951200 26.0439 -41.5225 2.68396 -44.1748 4.91926 12.4069 4.08308 15.1495 -9.88142 TIMING: 4951200 CPU: 15695.6, 0.00311158/step Wall: 15695.6, 0.00311158/step, 0.0421792 hours remaining, 240.550781 MB of memory in use. ENERGY: 4951200 3900.0516 20602.1247 14444.1808 249.0764 -203589.7300 2246.1139 0.0000 0.0000 52035.0700 -110113.1126 299.0463 -162148.1826 -109749.4576 298.4947 -117.1046 -93.5347 758868.9357 7.3232 7.0272 PRESSURE: 4951400 -276.81 -70.8244 109.113 -70.8244 35.1649 281.266 109.114 281.267 -190.588 GPRESSURE: 4951400 -214.083 -95.1953 146.029 -139.51 19.8055 281.149 134.23 140.196 -147.285 PRESSAVG: 4951400 65.3086 26.2795 69.4526 26.2796 -110.458 61.791 69.4527 61.7911 -6.21331 GPRESSAVG: 4951400 64.866 25.2928 69.606 25.8361 -109.984 61.4718 72.3336 61.3995 -6.61499 TIMING: 4951400 CPU: 15696.2, 0.00311665/step Wall: 15696.2, 0.00311665/step, 0.0420747 hours remaining, 240.550781 MB of memory in use. ENERGY: 4951400 4037.4344 20578.3324 14452.1139 249.3084 -203698.1586 2458.2864 0.0000 0.0000 52167.1015 -109755.5816 299.8050 -161922.6831 -109385.1890 299.1049 -144.0775 -113.8543 759288.8006 -17.1209 -17.2443 PRESSURE: 4951600 220.392 25.2337 189.377 25.2348 83.3854 -311.961 189.378 -311.961 134.065 GPRESSURE: 4951600 287.08 -34.4578 134.942 -2.96929 60.786 -378.273 33.8253 -208.579 179.144 PRESSAVG: 4951600 83.4846 -38.7743 54.7654 -38.7743 -78.3306 -0.665015 54.7655 -0.664985 11.5703 GPRESSAVG: 4951600 83.5798 -39.0996 55.8744 -38.1649 -77.9166 0.618733 52.5932 -0.87227 11.4189 TIMING: 4951600 CPU: 15696.9, 0.00311568/step Wall: 15696.9, 0.00311568/step, 0.0418886 hours remaining, 240.550781 MB of memory in use. ENERGY: 4951600 4009.7938 20614.1022 14458.5920 261.6181 -204022.7672 2603.3223 0.0000 0.0000 52252.0393 -109823.2995 300.2932 -162075.3388 -109455.9873 299.2392 145.9473 175.6698 758881.2048 5.5748 5.6940 PRESSURE: 4951800 -188.265 -247.567 -68.6962 -247.566 -109.751 55.7997 -68.6957 55.8026 -88.7395 GPRESSURE: 4951800 -198.705 -234.022 -14.5449 -275.035 -68.1587 99.9788 -124.027 31.6753 -42.4458 PRESSAVG: 4951800 80.4011 24.771 -17.9307 24.771 -36.9595 -19.9126 -17.9307 -19.9126 -17.0076 GPRESSAVG: 4951800 79.7997 26.1431 -17.6199 23.9735 -37.9514 -21.0352 -18.5227 -21.0673 -16.016 TIMING: 4951800 CPU: 15697.5, 0.00310589/step Wall: 15697.5, 0.00310589/step, 0.0415845 hours remaining, 240.550781 MB of memory in use. ENERGY: 4951800 4055.3825 20625.6197 14556.4105 247.2023 -203776.6827 2614.2602 0.0000 0.0000 51775.5244 -109902.2830 297.5547 -161677.8075 -109536.2497 299.3131 -128.9186 -103.1032 759716.7938 8.8113 8.6108 PRESSURE: 4952000 -83.2487 177.128 134.267 177.129 -256.209 287.169 134.267 287.168 -54.5407 GPRESSURE: 4952000 -27.0224 174.912 92.2645 126.796 -297.142 143.086 161.811 282.18 12.0656 PRESSAVG: 4952000 34.0618 -9.60213 23.6765 -9.60211 -26.9149 72.9459 23.6765 72.9458 30.213 GPRESSAVG: 4952000 34.3599 -10.3128 23.7077 -9.97366 -27.4007 73.4052 24.7809 73.9847 30.1323 TIMING: 4952000 CPU: 15698.1, 0.00313216/step Wall: 15698.1, 0.00313216/step, 0.0417621 hours remaining, 240.550781 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: 4952000 3992.3443 20598.1058 14485.9266 244.6383 -203685.1796 2487.4060 0.0000 0.0000 51988.2438 -109888.5148 298.7772 -161876.7587 -109521.2910 298.6842 -131.3329 -104.0329 759352.7057 12.4533 12.3638 PRESSURE: 4952200 -118.215 -158.473 86.0827 -158.472 154.595 90.0597 86.0831 90.059 -5.18355 GPRESSURE: 4952200 -79.5556 -213.433 61.4674 -74.7934 162.761 12.2965 64.4415 52.1185 54.4037 PRESSAVG: 4952200 26.9395 -20.4924 15.3845 -20.4925 -13.2342 -25.9415 15.3846 -25.9416 5.04725 GPRESSAVG: 4952200 27.3925 -19.611 14.0636 -20.9342 -13.1363 -26.0151 14.7167 -25.9882 4.64758 TIMING: 4952200 CPU: 15698.7, 0.00310895/step Wall: 15698.7, 0.00310895/step, 0.04128 hours remaining, 240.550781 MB of memory in use. ENERGY: 4952200 3998.3899 20621.7927 14445.5024 258.7090 -203950.0517 2661.4864 0.0000 0.0000 52176.0223 -109788.1490 299.8563 -161964.1712 -109423.5585 299.1838 10.3988 45.8698 758532.7974 6.2508 6.3013 LDB: ============= START OF LOAD BALANCING ============== 15711.2 LDB: ============== END OF LOAD BALANCING =============== 15711.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15711.2 LDB: ============= START OF LOAD BALANCING ============== 15711.5 LDB: Largest compute 7025 load 0.031997 is 16.4% of average load 0.195637 LDB: Average compute 0.004375 is 2.2% of average load 0.195637 LDB: TIME 15711.5 LOAD: AVG 0.195637 MAX 0.216739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 15711.5 LOAD: AVG 0.195637 MAX 0.216739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: TIME 15711.5 LOAD: AVG 0.195637 MAX 0.216739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.973 MB LDB: ============== END OF LOAD BALANCING =============== 15711.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15711.5 PRESSURE: 4952400 -22.537 121.69 -121.484 121.69 23.1986 178.799 -121.484 178.799 205.579 GPRESSURE: 4952400 -12.7173 256.813 -114.836 143.7 114.532 222.641 -31.9861 196.385 202.641 PRESSAVG: 4952400 -58.3642 -13.2304 50.7917 -13.2305 -0.96446 -44.8802 50.7917 -44.8804 10.2524 GPRESSAVG: 4952400 -58.5124 -13.9533 51.1499 -9.479 -0.444414 -43.6585 49.2524 -44.371 10.2154 TIMING: 4952400 CPU: 15699.4, 0.00319349/step Wall: 15699.4, 0.00319349/step, 0.0422251 hours remaining, 239.968750 MB of memory in use. ENERGY: 4952400 3990.4283 20760.9683 14455.8922 242.3681 -203552.5024 2672.6074 0.0000 0.0000 51886.8017 -109543.4363 298.1942 -161430.2381 -109188.0899 299.3836 68.7470 101.4854 760917.0784 -16.3588 -16.2471 PRESSURE: 4952600 143.695 -49.6455 -65.4902 -49.6457 114.166 -4.04842 -65.4899 -4.04738 336.214 GPRESSURE: 4952600 164.638 -2.30897 43.0893 -101.843 172.803 -12.1951 -54.276 92.6946 342.18 PRESSAVG: 4952600 -56.2835 14.1817 -11.9568 14.1818 27.3817 -4.99751 -11.9569 -4.9975 12.6448 GPRESSAVG: 4952600 -55.8747 12.0208 -10.9325 13.1437 27.6988 -6.89436 -11.7944 -5.78839 11.1576 TIMING: 4952600 CPU: 15700, 0.00313274/step Wall: 15700, 0.00313274/step, 0.0412477 hours remaining, 240.171875 MB of memory in use. ENERGY: 4952600 4054.0277 20426.0813 14448.6088 234.8582 -204091.1455 2860.4540 0.0000 0.0000 52076.3229 -109990.7925 299.2833 -162067.1154 -109635.8347 299.1465 198.0249 226.5405 758245.5968 -5.4190 -5.6728 PRESSURE: 4952800 -108.742 -172.105 72.1315 -172.104 -67.9411 -25.4537 72.1317 -25.4541 -111.93 GPRESSURE: 4952800 -99.4366 -99.4839 90.3095 -173.453 -26.3615 21.7673 79.6332 17.019 -64.3295 PRESSAVG: 4952800 -55.9898 -24.5911 10.6085 -24.5911 45.8912 23.325 10.6085 23.325 4.96378 GPRESSAVG: 4952800 -56.8888 -21.7874 10.9061 -27.3342 45.6368 23.7642 11.7995 24.5827 6.07444 TIMING: 4952800 CPU: 15700.6, 0.00311969/step Wall: 15700.6, 0.00311969/step, 0.0409026 hours remaining, 240.171875 MB of memory in use. ENERGY: 4952800 3914.8124 20337.4195 14464.7715 247.7990 -203867.1508 2581.9130 0.0000 0.0000 52294.9073 -110025.5282 300.5396 -162320.4355 -109651.1685 298.6497 -96.2044 -63.3759 759456.1477 -1.7116 -1.7259 PRESSURE: 4953000 142.321 -124.568 110.118 -124.568 129.641 -27.0798 110.118 -27.08 80.1359 GPRESSURE: 4953000 162.689 -154.118 56.6232 64.135 235.622 7.47025 19.4217 -81.2985 50.4498 PRESSAVG: 4953000 1.41438 -58.3043 30.6021 -58.3043 -23.006 -46.5985 30.6021 -46.5985 20.2546 GPRESSAVG: 4953000 1.53331 -59.7631 29.4188 -55.0405 -23.9536 -48.307 28.8512 -46.2554 20.5823 TIMING: 4953000 CPU: 15701.2, 0.00311378/step Wall: 15701.2, 0.00311378/step, 0.0406521 hours remaining, 240.171875 MB of memory in use. ENERGY: 4953000 4031.8285 20482.6262 14411.1076 251.1362 -204133.2921 2870.2351 0.0000 0.0000 52021.3591 -110064.9994 298.9675 -162086.3585 -109712.9128 298.6973 117.3659 149.5869 760419.9140 -0.4457 -0.6127 PRESSURE: 4953200 477.051 -77.1355 472.946 -77.1351 -1.97939 -68.7791 472.947 -68.7792 315.796 GPRESSURE: 4953200 477.069 -56.8713 531.565 -120.872 -5.96989 -72.5031 379.775 -85.79 378.767 PRESSAVG: 4953200 -62.5099 22.0034 48.9651 22.0034 27.8185 -3.03482 48.965 -3.03481 -23.7437 GPRESSAVG: 4953200 -62.0442 22.236 48.787 22.1846 27.9693 -0.624133 52.2998 -5.38568 -24.1472 TIMING: 4953200 CPU: 15701.9, 0.0031305/step Wall: 15701.9, 0.0031305/step, 0.0406965 hours remaining, 240.171875 MB of memory in use. ENERGY: 4953200 3997.3110 20550.1398 14488.3487 246.1644 -204109.7998 2655.9441 0.0000 0.0000 51992.6548 -110179.2370 298.8025 -162171.8918 -109806.9419 298.7912 263.6224 283.2889 759473.8357 -19.4784 -19.4074 PRESSURE: 4953400 375.025 -91.5514 14.1252 -91.5512 -98.9179 -96.6461 14.1252 -96.6463 310.122 GPRESSURE: 4953400 287.674 -110.95 31.5951 -133.295 55.4849 -142.397 145.199 -22.7752 301.459 PRESSAVG: 4953400 27.6346 7.89179 16.2635 7.89182 -11.5825 -2.64168 16.2636 -2.64166 9.0448 GPRESSAVG: 4953400 26.407 7.06597 15.952 6.34088 -11.5841 -2.66565 15.1584 -2.81984 10.1843 TIMING: 4953400 CPU: 15702.5, 0.00314153/step Wall: 15702.5, 0.00314153/step, 0.0406654 hours remaining, 240.171875 MB of memory in use. ENERGY: 4953400 3923.4812 20537.2673 14529.8165 249.0130 -203959.9667 2688.1167 0.0000 0.0000 51904.2117 -110128.0603 298.2942 -162032.2720 -109768.9099 298.3519 195.4096 214.8727 759084.5014 8.3656 8.3358 PRESSURE: 4953600 77.0085 27.6367 -135.954 27.6369 -334.945 -37.8534 -135.954 -37.8542 110.766 GPRESSURE: 4953600 93.4323 -45.2726 -233.816 -21.7386 -277.98 -35.8213 -150.249 27.9879 131.683 PRESSAVG: 4953600 39.9705 -2.29743 29.0152 -2.2975 -30.5018 -34.001 29.0152 -34.0011 3.05213 GPRESSAVG: 4953600 41.1497 -1.62008 28.2457 -0.669214 -29.6096 -34.1903 28.6608 -31.3016 1.87815 TIMING: 4953600 CPU: 15703.1, 0.00312952/step Wall: 15703.1, 0.00312952/step, 0.040336 hours remaining, 240.171875 MB of memory in use. ENERGY: 4953600 3990.9561 20641.1716 14457.1707 240.0928 -203642.8507 2576.6851 0.0000 0.0000 51665.9633 -110070.8111 296.9250 -161736.7744 -109708.1392 298.5072 -49.0569 -17.6218 758590.8967 4.1736 4.4727 PRESSURE: 4953800 237.277 73.9122 347.37 73.9117 -242.754 82.0961 347.37 82.0957 52.7457 GPRESSURE: 4953800 186.735 97.0034 325.244 120.513 -124.577 103.977 264.839 153.994 80.5842 PRESSAVG: 4953800 7.58343 23.8835 2.39021 23.8835 -39.3561 -0.738414 2.39028 -0.738378 25.1051 GPRESSAVG: 4953800 6.98317 25.5391 3.88851 21.2565 -39.1676 -0.0754163 3.44422 -3.4393 25.8155 TIMING: 4953800 CPU: 15703.7, 0.00311332/step Wall: 15703.7, 0.00311332/step, 0.0399543 hours remaining, 240.171875 MB of memory in use. ENERGY: 4953800 3995.8491 20403.1225 14454.4854 222.7789 -203524.9411 2354.2522 0.0000 0.0000 51699.5542 -110394.8987 297.1180 -162094.4529 -110020.2719 297.9654 15.7560 47.5806 761173.0583 -2.2225 -2.1229 PRESSURE: 4954000 -295.871 -174.741 -96.3179 -174.74 -22.9438 63.9303 -96.3179 63.9318 20.4674 GPRESSURE: 4954000 -240.299 -156.934 -40.5707 -142.359 -24.8295 24.1873 8.91723 38.8136 39.2546 PRESSAVG: 4954000 -18.5773 -17.9993 -23.3894 -17.9993 -24.946 -65.7919 -23.3894 -65.7919 -1.42745 GPRESSAVG: 4954000 -18.9886 -19.5789 -24.0103 -16.7524 -24.8032 -67.0694 -23.1534 -65.0386 -1.13693 TIMING: 4954000 CPU: 15704.4, 0.00311935/step Wall: 15704.4, 0.00311935/step, 0.0398584 hours remaining, 240.171875 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: 4954000 4002.4718 20627.0495 14490.7006 260.4379 -203543.0288 2335.5237 0.0000 0.0000 51512.0793 -110314.7659 296.0406 -161826.8452 -109965.6810 297.5867 -99.4491 -75.2912 760033.2872 -14.9836 -14.9762 PRESSURE: 4954200 213.678 17.0566 417.286 17.0568 -205.355 126.981 417.285 126.98 -109.28 GPRESSURE: 4954200 307.073 -6.42106 334.854 128.84 -168.295 38.3621 373.482 180.293 -135.418 PRESSAVG: 4954200 28.2218 -65.2779 6.30716 -65.2779 0.107091 14.5386 6.30717 14.5387 -6.83002 GPRESSAVG: 4954200 28.6269 -64.0484 6.1744 -69.3924 -0.593839 13.5584 4.24623 16.0915 -6.39907 TIMING: 4954200 CPU: 15705, 0.00312592/step Wall: 15705, 0.00312592/step, 0.0397687 hours remaining, 240.171875 MB of memory in use. ENERGY: 4954200 3933.9916 20436.3048 14488.1642 243.7906 -203532.0838 2479.7605 0.0000 0.0000 51585.7753 -110364.2969 296.4642 -161950.0722 -109993.3179 297.5497 -33.6522 1.1199 759433.6568 7.1663 7.2113 PRESSURE: 4954400 -442.374 -194.242 307.247 -194.242 -315.052 -150.115 307.246 -150.116 -458.797 GPRESSURE: 4954400 -321.502 -237.44 298.687 -117.694 -378.488 -135.983 212.657 -115.635 -427.071 PRESSAVG: 4954400 -41.5241 -50.7183 42.1153 -50.7184 76.656 0.0776067 42.1152 0.0776254 -19.8716 GPRESSAVG: 4954400 -40.4505 -51.5614 42.5888 -47.1867 74.6539 -0.214012 42.9195 -0.0952986 -19.2505 TIMING: 4954400 CPU: 15705.6, 0.00312147/step Wall: 15705.6, 0.00312147/step, 0.0395386 hours remaining, 240.171875 MB of memory in use. ENERGY: 4954400 4035.7068 20473.3084 14459.6329 251.2146 -203361.3097 2335.9846 0.0000 0.0000 51777.4199 -110028.0425 297.5655 -161805.4624 -109664.5951 297.8540 -405.4077 -375.6869 760955.2212 5.0868 4.9843 PRESSURE: 4954600 286.643 -10.0702 -79.7563 -10.0711 387.464 -42.5757 -79.7565 -42.576 28.7252 GPRESSURE: 4954600 210.822 -65.6709 -32.0712 -17.7496 473.029 -102.441 -80.3267 55.5572 79.7712 PRESSAVG: 4954600 4.49381 -52.7144 33.6152 -52.7144 -4.75712 -21.3117 33.6152 -21.3117 6.35654 GPRESSAVG: 4954600 3.79224 -52.3463 33.9218 -54.158 -3.07528 -19.7596 33.8569 -22.634 5.31008 TIMING: 4954600 CPU: 15706.2, 0.00311542/step Wall: 15706.2, 0.00311542/step, 0.0392889 hours remaining, 240.171875 MB of memory in use. ENERGY: 4954600 4041.7410 20508.1580 14483.1680 252.6732 -203719.9230 2813.9368 0.0000 0.0000 52011.1391 -109609.1069 298.9087 -161620.2459 -109256.6400 298.8642 234.2777 254.5407 760180.7296 2.0311 2.0090 PRESSURE: 4954800 -31.5635 -212.61 -253.762 -212.611 235.412 -39.2429 -253.762 -39.2436 -236.258 GPRESSURE: 4954800 3.63451 -54.568 -190.523 -208.839 254.977 -162.911 -239.638 101.725 -212.395 PRESSAVG: 4954800 -22.6178 -71.0127 -69.7832 -71.0126 38.4926 22.893 -69.7832 22.8931 -8.79105 GPRESSAVG: 4954800 -23.0219 -69.4945 -69.7509 -70.0088 39.0676 23.6904 -69.7026 22.899 -8.76304 TIMING: 4954800 CPU: 15706.9, 0.00311733/step Wall: 15706.9, 0.00311733/step, 0.0391398 hours remaining, 240.171875 MB of memory in use. ENERGY: 4954800 4026.3127 20494.8185 14466.8247 246.4112 -203641.9485 2532.2500 0.0000 0.0000 52245.4794 -109629.8520 300.2555 -161875.3314 -109260.0938 299.4762 -10.8032 15.4057 758964.1487 2.3612 2.4276 PRESSURE: 4955000 243.113 2.84159 39.2524 2.84164 84.7654 -270.38 39.2523 -270.38 110.967 GPRESSURE: 4955000 271.832 -45.5808 29.6847 57.2905 133.664 -289.896 -61.6492 -195.946 121.374 PRESSAVG: 4955000 -25.9972 -95.3359 15.9582 -95.3359 22.2911 6.99879 15.9582 6.99878 -2.90323 GPRESSAVG: 4955000 -25.8491 -96.2629 16.1844 -96.7541 20.4097 7.83409 14.5551 6.08142 -1.31393 TIMING: 4955000 CPU: 15707.5, 0.00311146/step Wall: 15707.5, 0.00311146/step, 0.0388932 hours remaining, 240.171875 MB of memory in use. ENERGY: 4955000 3969.7102 20548.7830 14459.6225 230.5912 -203324.8882 2590.2280 0.0000 0.0000 52042.9078 -109483.0454 299.0913 -161525.9532 -109121.2211 299.2579 146.2816 175.6233 759675.0411 -2.2031 -2.2511 PRESSURE: 4955200 -591.667 -62.28 104.208 -62.2798 -190.917 -183.14 104.209 -183.139 -681.113 GPRESSURE: 4955200 -528.095 56.9927 70.35 101.262 -180.459 -222.945 48.443 -91.3532 -696.252 PRESSAVG: 4955200 5.50759 -59.5164 -44.3511 -59.5164 65.7232 -62.9731 -44.3511 -62.9731 4.8608 GPRESSAVG: 4955200 5.48045 -60.4647 -44.9606 -59.633 66.702 -63.9944 -42.4569 -61.7489 3.72957 TIMING: 4955200 CPU: 15708.1, 0.00311405/step Wall: 15708.1, 0.00311405/step, 0.0387526 hours remaining, 240.171875 MB of memory in use. ENERGY: 4955200 4060.0579 20548.5696 14413.7052 239.2769 -202874.6864 2004.1247 0.0000 0.0000 52052.6399 -109556.3123 299.1472 -161608.9522 -109203.8075 299.6348 -487.8990 -468.2687 759209.0677 25.3639 25.3040 PRESSURE: 4955400 -149.096 -31.6098 -169.247 -31.6112 -87.9978 -51.0631 -169.247 -51.0621 -207.875 GPRESSURE: 4955400 -71.5828 8.41909 -208.825 52.3449 -51.5207 -96.8861 -51.789 -54.0529 -237.07 PRESSAVG: 4955400 -58.542 -35.0033 -14.2682 -35.0033 15.7669 -6.52407 -14.2682 -6.52408 -5.299 GPRESSAVG: 4955400 -57.9158 -34.6572 -15.7248 -33.6826 16.9672 -7.05193 -14.7461 -4.62487 -6.94219 TIMING: 4955400 CPU: 15708.7, 0.00313078/step Wall: 15708.7, 0.00313078/step, 0.0387868 hours remaining, 240.171875 MB of memory in use. ENERGY: 4955400 4021.8575 20417.1187 14488.7917 258.4140 -203287.9103 2324.9178 0.0000 0.0000 52306.5085 -109470.3022 300.6062 -161776.8107 -109108.9398 299.4400 -148.3231 -120.0578 758722.7819 -16.0247 -15.9636 PRESSURE: 4955600 -197.661 -103.421 -104.875 -103.421 -145.588 -25.0813 -104.876 -25.0818 78.7916 GPRESSURE: 4955600 -199.457 -245.546 -102.164 -116.977 -47.7147 -36.5648 -138.57 -56.713 77.9759 PRESSAVG: 4955600 -13.1164 -42.7147 15.9299 -42.7147 -0.928845 8.1382 15.9299 8.13819 7.89096 GPRESSAVG: 4955600 -13.0575 -44.1037 18.9164 -43.706 -1.85844 8.91435 16.7815 7.11872 8.461 TIMING: 4955600 CPU: 15709.3, 0.00311466/step Wall: 15709.3, 0.00311466/step, 0.0384142 hours remaining, 240.171875 MB of memory in use. ENERGY: 4955600 3894.5072 20510.6649 14505.4556 254.8769 -203523.5617 2595.7603 0.0000 0.0000 52036.7933 -109725.5035 299.0562 -161762.2968 -109358.5188 299.1751 -88.1523 -56.3988 760071.3578 -2.0514 -2.1516 PRESSURE: 4955800 -226.845 -124.153 -23.6975 -124.153 -651.09 26.6929 -23.6975 26.6919 -141.807 GPRESSURE: 4955800 -201.183 -120.891 68.2665 -100.55 -581.167 46.0043 -19.2039 38.7927 -157.532 PRESSAVG: 4955800 -50.2663 3.84789 8.95039 3.84791 21.3549 28.4868 8.95035 28.4868 -20.3099 GPRESSAVG: 4955800 -51.6014 3.0926 7.43722 4.06753 21.5176 28.7578 7.84304 26.5924 -19.8974 TIMING: 4955800 CPU: 15710, 0.00312428/step Wall: 15710, 0.00312428/step, 0.0383592 hours remaining, 240.171875 MB of memory in use. ENERGY: 4955800 4016.7481 20384.7432 14514.7450 240.0423 -203578.7000 2500.2846 0.0000 0.0000 52090.8337 -109831.3031 299.3667 -161922.1368 -109461.5391 298.6911 -339.9139 -313.2939 760436.1881 -16.4071 -16.6604 PRESSURE: 4956000 -255.337 -57.9716 -41.2113 -57.971 -169.837 -117.585 -41.2114 -117.585 -235.697 GPRESSURE: 4956000 -167.102 -77.8506 -116.156 -103.651 -195.328 -204.035 46.3131 -76.2216 -230.205 PRESSAVG: 4956000 -0.201515 -33.7847 -10.2258 -33.7846 19.4906 25.4015 -10.2257 25.4015 0.340974 GPRESSAVG: 4956000 -0.0449976 -32.9623 -10.0988 -33.4603 19.9639 24.6941 -10.6423 27.2318 -0.77808 TIMING: 4956000 CPU: 15710.6, 0.00312308/step Wall: 15710.6, 0.00312308/step, 0.038171 hours remaining, 240.171875 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: 4956000 4052.5633 20487.8196 14554.0961 250.6065 -203301.2136 2201.6722 0.0000 0.0000 52231.0717 -109523.3843 300.1727 -161754.4560 -109164.6300 299.0343 -220.2905 -197.5452 760032.7841 6.5434 6.3803 PRESSURE: 4956200 64.1428 -153.313 -112.37 -153.314 -102.86 179.033 -112.37 179.033 -125.716 GPRESSURE: 4956200 140.142 -78.3147 -142.992 -200.613 -92.36 141.114 9.56258 276.974 -135.893 PRESSAVG: 4956200 6.01453 -77.8033 -2.85891 -77.8033 27.1656 31.2299 -2.85894 31.2298 8.39844 GPRESSAVG: 4956200 6.36954 -76.8397 -2.3408 -77.5704 25.703 31.7838 -1.06968 32.5111 9.22124 TIMING: 4956200 CPU: 15711.2, 0.00314896/step Wall: 15711.2, 0.00314896/step, 0.0383124 hours remaining, 240.171875 MB of memory in use. ENERGY: 4956200 3940.4715 20619.2141 14524.7950 225.8415 -203492.9024 2435.3135 0.0000 0.0000 52048.9353 -109698.3314 299.1259 -161747.2668 -109344.7097 299.3730 -54.8110 -29.3702 759306.7742 13.8595 13.7646 LDB: ============= START OF LOAD BALANCING ============== 15723.7 LDB: ============== END OF LOAD BALANCING =============== 15723.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15723.7 LDB: ============= START OF LOAD BALANCING ============== 15724 LDB: Largest compute 7066 load 0.031416 is 16.1% of average load 0.195646 LDB: Average compute 0.004368 is 2.2% of average load 0.195646 LDB: TIME 15724 LOAD: AVG 0.195646 MAX 0.217932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.969 MB LDB: TIME 15724 LOAD: AVG 0.195646 MAX 0.217932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.172 MB LDB: TIME 15724 LOAD: AVG 0.195646 MAX 0.217932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.172 MB LDB: ============== END OF LOAD BALANCING =============== 15724 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15724 PRESSURE: 4956400 -227.544 -10.325 14.2414 -10.325 94.7024 -123.958 14.2419 -123.958 164.211 GPRESSURE: 4956400 -287.218 -26.6174 71.9527 56.6108 190.144 -46.0713 44.7751 -195.454 196.994 PRESSAVG: 4956400 -14.4956 -61.3909 -10.7858 -61.3908 -10.4053 42.1211 -10.7857 42.121 14.6861 GPRESSAVG: 4956400 -13.8838 -61.2116 -11.1391 -64.1935 -9.76927 41.9027 -11.3696 39.878 13.9418 TIMING: 4956400 CPU: 15711.9, 0.00320098/step Wall: 15711.9, 0.00320098/step, 0.0387674 hours remaining, 241.511719 MB of memory in use. ENERGY: 4956400 4038.4398 20610.2046 14440.5148 256.0945 -203074.8441 2422.5666 0.0000 0.0000 51832.9231 -109474.1007 297.8845 -161307.0238 -109112.8946 299.2661 10.4564 33.3068 761609.7446 -3.4049 -3.2371 PRESSURE: 4956600 -25.1535 24.3096 -90.6063 24.3092 -230.332 -42.9337 -90.6064 -42.9334 71.6826 GPRESSURE: 4956600 -72.4658 41.6432 -82.9084 88.1401 -143.233 63.6705 7.04095 -48.5897 100.562 PRESSAVG: 4956600 -31.822 3.73794 -29.896 3.73788 30.0479 -4.81489 -29.896 -4.81484 -6.46615 GPRESSAVG: 4956600 -31.6417 3.65424 -29.8508 6.1461 28.7825 -5.19033 -29.1253 -3.74676 -5.43997 TIMING: 4956600 CPU: 15712.5, 0.00313442/step Wall: 15712.5, 0.00313443/step, 0.0377872 hours remaining, 241.714844 MB of memory in use. ENERGY: 4956600 3989.7956 20705.1656 14525.8599 252.9692 -203183.1265 2375.4784 0.0000 0.0000 52211.7130 -109122.1450 300.0614 -161333.8579 -108766.0219 299.8882 -61.2677 -38.3789 761651.6663 -2.7468 -2.7664 PRESSURE: 4956800 -211.459 46.7254 162.621 46.7247 -471.997 105.344 162.621 105.346 109.936 GPRESSURE: 4956800 -171.796 8.37741 144.851 21.5748 -369.997 73.6168 34.0767 151.944 38.6424 PRESSAVG: 4956800 -2.96137 -45.9485 27.7932 -45.9486 -35.8445 22.4931 27.7933 22.4931 9.96603 GPRESSAVG: 4956800 -2.91275 -46.8231 27.8719 -44.478 -34.6951 24.8581 27.7993 21.2118 8.2023 TIMING: 4956800 CPU: 15713.1, 0.00311394/step Wall: 15713.1, 0.00311394/step, 0.0373673 hours remaining, 241.714844 MB of memory in use. ENERGY: 4956800 4017.0952 20455.5207 14498.8703 252.4953 -203002.2776 2311.2561 0.0000 0.0000 52546.3130 -108920.7269 301.9844 -161467.0399 -108545.0962 300.7252 -191.1735 -167.7167 761833.6450 -9.6133 -9.8018 PRESSURE: 4957000 -192.288 -95.9998 13.8087 -95.9991 213.074 -36.3475 13.8073 -36.3483 331.432 GPRESSURE: 4957000 -226.828 2.2661 6.80903 -47.4111 260.314 62.2916 -98.9063 -55.637 407.356 PRESSAVG: 4957000 -12.3077 -2.44527 -20.3817 -2.44532 -21.1297 -8.10104 -20.3817 -8.10109 -21.5511 GPRESSAVG: 4957000 -13.0375 -3.55378 -21.6808 -3.37495 -21.9155 -9.00781 -22.7301 -8.16657 -19.7831 TIMING: 4957000 CPU: 15713.7, 0.00312465/step Wall: 15713.7, 0.00312465/step, 0.0373222 hours remaining, 241.714844 MB of memory in use. ENERGY: 4957000 3976.7190 20434.0564 14462.1203 243.1016 -203439.7964 2811.1103 0.0000 0.0000 52312.9290 -109199.7598 300.6431 -161512.6888 -108825.3912 300.7311 117.4063 146.9477 761929.2170 -18.3295 -18.2454 PRESSURE: 4957200 -212.019 227.431 -25.1577 227.431 -469.425 164.63 -25.1586 164.63 -35.8823 GPRESSURE: 4957200 -174.548 224.459 -48.3466 237.328 -435.801 224.67 2.19475 162.412 -13.8261 PRESSAVG: 4957200 -43.6836 -27.0141 -4.30759 -27.0141 34.3556 10.4203 -4.30758 10.4203 -2.98569 GPRESSAVG: 4957200 -43.9763 -25.0911 -3.1696 -28.33 34.9464 8.15428 -3.29266 9.00785 -3.85736 TIMING: 4957200 CPU: 15714.4, 0.00313622/step Wall: 15714.4, 0.00313622/step, 0.0372861 hours remaining, 241.714844 MB of memory in use. ENERGY: 4957200 4001.4996 20596.9698 14419.1511 233.9149 -202571.5506 1985.4492 0.0000 0.0000 52129.5736 -109204.9924 299.5894 -161334.5660 -108839.4161 300.3322 -239.1087 -208.0584 762243.9421 -4.1046 -4.2958 PRESSURE: 4957400 -43.3466 -44.0487 157.239 -44.049 94.7277 136.352 157.239 136.353 -44.1492 GPRESSURE: 4957400 72.3884 -181.751 184.02 -145.767 72.2799 175.533 152.731 143.168 -40.615 PRESSAVG: 4957400 -34.7569 19.3837 48.8893 19.3837 -12.6147 41.2714 48.8894 41.2714 -16.6651 GPRESSAVG: 4957400 -34.6439 19.8528 48.0556 19.2006 -11.9601 42.2245 49.5956 42.3172 -17.4604 TIMING: 4957400 CPU: 15715, 0.00312574/step Wall: 15715, 0.00312574/step, 0.0369879 hours remaining, 241.714844 MB of memory in use. ENERGY: 4957400 3988.7741 20472.3524 14595.7487 264.4019 -202866.9150 2423.6051 0.0000 0.0000 51959.6729 -109162.3600 298.6130 -161122.0329 -108799.9444 299.9011 2.4106 34.6844 761570.3267 -21.3456 -21.3548 PRESSURE: 4957600 -262.669 -202.659 -26.6097 -202.659 -230.117 -18.4501 -26.6092 -18.4495 0.402549 GPRESSURE: 4957600 -169.996 -202.101 81.4038 -265.334 -216.266 -80.2926 -5.09365 183.358 -20.7012 PRESSAVG: 4957600 -32.0775 -28.4449 17.8586 -28.4449 37.0044 17.7771 17.8586 17.7771 3.80977 GPRESSAVG: 4957600 -32.0279 -31.0957 17.5573 -26.4207 37.4405 17.1199 17.1347 19.1623 3.47408 TIMING: 4957600 CPU: 15715.6, 0.00312985/step Wall: 15715.6, 0.00312985/step, 0.0368627 hours remaining, 241.714844 MB of memory in use. ENERGY: 4957600 3997.1887 20704.8987 14471.6619 241.1025 -202735.6710 2060.4897 0.0000 0.0000 51893.6700 -109366.6594 298.2336 -161260.3294 -109016.7736 299.9551 -164.1279 -135.6546 761364.8986 2.9122 2.9622 PRESSURE: 4957800 1.08202 166.676 -77.9173 166.676 -13.5796 293.158 -77.917 293.158 125.585 GPRESSURE: 4957800 -18.2564 92.4187 -32.5291 107.857 98.4607 278.016 -105.224 302.671 117.06 PRESSAVG: 4957800 -11.4459 7.67386 24.6436 7.67383 14.8246 41.5566 24.6436 41.5566 5.88816 GPRESSAVG: 4957800 -11.4123 6.79818 25.6304 7.81595 13.9994 41.5686 25.1342 41.8227 7.0258 TIMING: 4957800 CPU: 15716.2, 0.00311172/step Wall: 15716.2, 0.00311172/step, 0.0364762 hours remaining, 241.714844 MB of memory in use. ENERGY: 4957800 3961.3819 20621.9951 14510.3765 234.5175 -203035.8770 2208.0523 0.0000 0.0000 52054.9888 -109444.5648 299.1607 -161499.5536 -109078.3111 299.5594 37.6959 65.7547 761841.1899 3.0890 3.2043 PRESSURE: 4958000 22.6702 -268.381 126.595 -268.382 121.327 -45.4623 126.595 -45.463 455.494 GPRESSURE: 4958000 63.7317 -306.866 60.3708 -139.589 152.545 -17.777 132.803 -5.75836 464.222 PRESSAVG: 4958000 50.1344 -26.8716 30.3308 -26.8717 -52.3238 1.45636 30.3308 1.45638 33.5357 GPRESSAVG: 4958000 50.0129 -22.844 30.5365 -28.0359 -49.8439 1.19123 30.08 1.62719 31.017 TIMING: 4958000 CPU: 15716.9, 0.003136/step Wall: 15716.9, 0.003136/step, 0.0365867 hours remaining, 241.714844 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: 4958000 4025.0862 20546.9924 14512.7855 244.2918 -203740.3054 2806.6861 0.0000 0.0000 52300.2649 -109304.1984 300.5703 -161604.4634 -108945.8968 299.6737 199.8301 226.8329 759337.6041 10.4488 10.3953 PRESSURE: 4958200 225.068 -36.1937 -20.6231 -36.1944 1.47637 -137.207 -20.6219 -137.207 -430.699 GPRESSURE: 4958200 278.605 -24.8332 -108.621 -105.628 17.691 -187.457 -29.4497 13.124 -409.427 PRESSAVG: 4958200 0.552287 -15.4667 74.579 -15.4668 3.522 46.3813 74.579 46.3813 -6.77734 GPRESSAVG: 4958200 0.965682 -17.8558 73.6105 -13.0932 0.735431 47.1738 75.7973 44.1639 -5.06917 TIMING: 4958200 CPU: 15717.5, 0.00313297/step Wall: 15717.5, 0.00313297/step, 0.0363772 hours remaining, 241.714844 MB of memory in use. ENERGY: 4958200 4008.8705 20627.4855 14550.1852 240.3048 -203442.7010 2551.8473 0.0000 0.0000 52200.5380 -109263.4696 299.9972 -161464.0076 -108900.7464 300.2577 -68.0515 -37.7104 761125.2614 -0.9010 -1.1227 PRESSURE: 4958400 -113.751 -108.42 190.752 -108.42 -132.327 -13.1381 190.752 -13.1378 103.223 GPRESSURE: 4958400 -92.4357 -96.9714 238.081 -88.993 -38.1489 -6.71085 268.213 -55.1684 69.2112 PRESSAVG: 4958400 18.9475 1.2904 -3.69352 1.29035 -13.5055 9.63373 -3.69356 9.63385 6.34791 GPRESSAVG: 4958400 19.1311 2.17543 -5.01137 -1.83368 -13.7614 10.6911 -4.19852 10.9101 6.81611 TIMING: 4958400 CPU: 15718.1, 0.00313378/step Wall: 15718.1, 0.00313378/step, 0.0362126 hours remaining, 241.714844 MB of memory in use. ENERGY: 4958400 4003.8161 20780.2687 14566.6335 239.1719 -203604.2850 2480.0924 0.0000 0.0000 52330.0416 -109204.2607 300.7415 -161534.3023 -108836.8694 300.0776 -47.6184 -20.4578 762294.7684 3.9300 4.0620 PRESSURE: 4958600 -203.648 -130.036 -104.433 -130.036 -3.44801 131.517 -104.432 131.517 132.073 GPRESSURE: 4958600 -191.812 -209.1 -72.9667 -271.347 94.7903 96.6099 -95.8946 149.812 112.914 PRESSAVG: 4958600 -7.8056 29.5686 27.426 29.5686 6.47877 3.50763 27.426 3.50764 -4.9452 GPRESSAVG: 4958600 -7.6747 28.7346 31.0801 32.2701 7.64073 2.94622 26.9334 3.22169 -6.20994 TIMING: 4958600 CPU: 15718.8, 0.00313537/step Wall: 15718.8, 0.00313537/step, 0.0360568 hours remaining, 241.714844 MB of memory in use. ENERGY: 4958600 4017.9205 20543.0342 14499.7760 254.3227 -203397.1609 2656.8153 0.0000 0.0000 52302.2306 -109123.0615 300.5816 -161425.2921 -108756.7369 300.1958 -25.0079 5.2975 762974.8765 -2.0907 -2.0813 PRESSURE: 4958800 174.557 -32.8993 137.137 -32.8984 -106.974 -163.021 137.137 -163.022 102.554 GPRESSURE: 4958800 185.802 -1.55472 84.3354 19.8288 -54.3391 -110.012 104.19 -261.435 102.958 PRESSAVG: 4958800 -29.3692 -15.7649 8.47037 -15.7648 52.0477 -10.9 8.4704 -10.9001 -15.2172 GPRESSAVG: 4958800 -30.272 -17.0391 9.50951 -17.7763 51.8309 -12.1338 7.76745 -11.3959 -14.3992 TIMING: 4958800 CPU: 15719.4, 0.00313104/step Wall: 15719.4, 0.00313104/step, 0.035833 hours remaining, 241.714844 MB of memory in use. ENERGY: 4958800 4078.7823 20580.1611 14456.0105 249.5699 -203200.1608 2421.9745 0.0000 0.0000 52441.6148 -108972.0476 301.3827 -161413.6624 -108605.7548 300.9073 56.7123 78.1401 760232.8051 2.4871 2.3866 PRESSURE: 4959000 -79.0852 -205.987 90.3087 -205.987 -14.0784 -3.50026 90.3097 -3.50114 135.18 GPRESSURE: 4959000 12.5376 -163 123.294 -114.495 -31.3963 27.9316 282.165 -83.2699 143.558 PRESSAVG: 4959000 -7.88839 -22.206 12.7329 -22.206 24.4777 -76.8773 12.7329 -76.8772 -11.7279 GPRESSAVG: 4959000 -6.53003 -20.4481 11.1356 -18.3654 23.152 -76.8014 14.0772 -77.58 -11.902 TIMING: 4959000 CPU: 15720, 0.00312418/step Wall: 15720, 0.00312418/step, 0.0355809 hours remaining, 241.714844 MB of memory in use. ENERGY: 4959000 3979.1168 20497.5850 14510.3613 245.9256 -202714.9772 2455.6751 0.0000 0.0000 52207.4852 -108818.8280 300.0371 -161026.3133 -108459.8741 300.5339 14.0056 41.5666 760557.1348 1.6205 1.5733 PRESSURE: 4959200 -313.52 113.144 -41.5499 113.144 -211.009 -283.058 -41.5507 -283.057 -346.907 GPRESSURE: 4959200 -207.613 151.777 -112.129 -32.0441 -237.637 -249.258 128.433 -193.781 -351.065 PRESSAVG: 4959200 -34.0746 -49.721 41.0372 -49.7211 46.2343 -16.4742 41.0372 -16.4743 0.357996 GPRESSAVG: 4959200 -35.7065 -49.509 39.4419 -52.1785 47.9329 -15.0382 40.2909 -17.2087 -0.00766759 TIMING: 4959200 CPU: 15720.6, 0.00314395/step Wall: 15720.6, 0.00314395/step, 0.0356314 hours remaining, 241.714844 MB of memory in use. ENERGY: 4959200 3981.9952 20622.1159 14521.7584 248.6063 -202982.4092 2283.3193 0.0000 0.0000 52463.9113 -108860.7028 301.5108 -161324.6142 -108495.5613 300.8549 -290.4785 -265.4383 761530.2939 4.1726 4.0729 PRESSURE: 4959400 -362.791 8.1415 -135.768 8.14127 -330.057 181.534 -135.769 181.535 -428.855 GPRESSURE: 4959400 -341.056 -21.3364 -150.083 66.581 -236.637 157.13 -48.5386 212.555 -461.06 PRESSAVG: 4959400 21.757 -51.7938 27.2162 -51.7938 7.89616 -38.7555 27.2161 -38.7556 -14.5065 GPRESSAVG: 4959400 21.9293 -53.0255 28.677 -50.9487 7.04905 -37.7732 28.1247 -39.0178 -14.1579 TIMING: 4959400 CPU: 15721.3, 0.0031171/step Wall: 15721.3, 0.0031171/step, 0.035154 hours remaining, 241.714844 MB of memory in use. ENERGY: 4959400 4053.1910 20624.9432 14467.7553 251.7082 -203200.8105 2448.5028 0.0000 0.0000 52218.9600 -109135.7500 300.1031 -161354.7099 -108767.7696 300.7607 -373.9013 -346.2508 762759.1221 5.0489 4.9402 PRESSURE: 4959600 89.4293 -112.248 -160.296 -112.247 -364.553 90.4112 -160.295 90.4113 -175.516 GPRESSURE: 4959600 21.4695 -143.429 -49.472 30.2218 -216.63 -45.6236 -158.785 76.1086 -167.246 PRESSAVG: 4959600 81.7381 -36.0233 2.00102 -36.0232 -59.3876 -9.79737 2.00103 -9.79733 4.76087 GPRESSAVG: 4959600 81.0268 -34.6536 1.83346 -35.7785 -58.9239 -11.1253 1.13541 -9.71593 4.90823 TIMING: 4959600 CPU: 15721.9, 0.00313578/step Wall: 15721.9, 0.00313578/step, 0.0351904 hours remaining, 241.714844 MB of memory in use. ENERGY: 4959600 4028.5132 20637.2974 14476.9857 253.1864 -203542.4606 2552.9792 0.0000 0.0000 52284.2699 -109309.2287 300.4784 -161593.4987 -108942.7428 300.3074 -150.2134 -120.8022 762159.7732 9.0371 9.0037 PRESSURE: 4959800 -96.5847 -193.816 -122.01 -193.816 -155.631 -219.43 -122.009 -219.429 207.122 GPRESSURE: 4959800 -128.645 -187.303 -119.643 -188.297 -13.0903 -232.321 -57.9278 -255.067 184.532 PRESSAVG: 4959800 -2.87251 -91.2711 9.05197 -91.2711 19.0089 -31.5323 9.05197 -31.5322 -11.7165 GPRESSAVG: 4959800 -3.63947 -92.2851 7.79717 -92.5894 20.0566 -31.8923 10.7354 -30.735 -11.8811 TIMING: 4959800 CPU: 15722.5, 0.00312926/step Wall: 15722.5, 0.00312926/step, 0.0349434 hours remaining, 241.714844 MB of memory in use. ENERGY: 4959800 3940.9794 20583.8840 14375.5558 270.5344 -203405.1844 2639.5945 0.0000 0.0000 52027.6200 -109567.0163 299.0034 -161594.6363 -109199.2393 299.8261 -15.0311 14.2656 761474.7275 1.4733 1.5120 PRESSURE: 4960000 -75.7494 78.1976 -18.0241 78.197 197.929 94.1474 -18.0242 94.1471 389.844 GPRESSURE: 4960000 6.68583 43.756 -95.4242 16.6562 248.034 125.074 -146.115 -104.597 342.576 PRESSAVG: 4960000 5.96766 -82.6263 -16.7477 -82.6263 -21.4021 -18.7437 -16.7477 -18.7437 -12.2593 GPRESSAVG: 4960000 5.78151 -82.0963 -16.3234 -81.6248 -22.7434 -15.7903 -17.6125 -20.3875 -10.9718 TIMING: 4960000 CPU: 15723.1, 0.00313306/step Wall: 15723.1, 0.00313306/step, 0.0348117 hours remaining, 241.714844 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: 4960000 4045.9650 20593.6785 14425.6554 239.6360 -203748.1276 2511.1952 0.0000 0.0000 52013.2980 -109918.6995 298.9211 -161931.9975 -109564.9071 298.7767 170.6746 199.0986 760372.6289 -9.2312 -9.3112 PRESSURE: 4960200 -379.852 -157.736 -164.682 -157.737 4.54343 -295.887 -164.681 -295.886 -130.811 GPRESSURE: 4960200 -212.293 -85.6425 -118.913 -243.087 -86.5014 -378.194 -96.905 -193.739 -120.523 PRESSAVG: 4960200 -22.9715 -29.283 -2.65577 -29.2831 7.74811 -67.5248 -2.65577 -67.5249 20.6722 GPRESSAVG: 4960200 -21.4442 -28.7243 -0.647515 -29.6339 8.0634 -69.7626 -3.45163 -64.9165 19.4319 TIMING: 4960200 CPU: 15723.8, 0.00314169/step Wall: 15723.8, 0.00314169/step, 0.0347332 hours remaining, 241.714844 MB of memory in use. ENERGY: 4960200 4088.2919 20446.1791 14421.2409 234.1350 -203676.7414 2820.3743 0.0000 0.0000 51747.1253 -109919.3949 297.3914 -161666.5202 -109563.6094 298.4973 -168.7068 -139.7726 761916.4533 1.8162 2.0170 LDB: ============= START OF LOAD BALANCING ============== 15736.2 LDB: ============== END OF LOAD BALANCING =============== 15736.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15736.2 LDB: ============= START OF LOAD BALANCING ============== 15736.5 LDB: Largest compute 7066 load 0.033088 is 16.9% of average load 0.195543 LDB: Average compute 0.004373 is 2.2% of average load 0.195543 LDB: TIME 15736.5 LOAD: AVG 0.195543 MAX 0.220126 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.926 MB LDB: TIME 15736.5 LOAD: AVG 0.195543 MAX 0.220126 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.965 MB LDB: TIME 15736.5 LOAD: AVG 0.195543 MAX 0.214573 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.965 MB LDB: ============== END OF LOAD BALANCING =============== 15736.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15736.5 PRESSURE: 4960400 -222.378 -157.844 40.1238 -157.844 99.1366 177.992 40.1248 177.993 205.635 GPRESSURE: 4960400 -173.077 -224.569 -14.0497 -254.293 130.742 162.642 -50.5377 130.321 223.127 PRESSAVG: 4960400 -12.2491 -92.3129 9.13059 -92.3129 20.4891 36.1515 9.13058 36.1515 7.43357 GPRESSAVG: 4960400 -11.7492 -94.4484 7.57366 -92.0614 21.4511 34.693 9.54616 36.0432 6.06629 TIMING: 4960400 CPU: 15724.4, 0.00319349/step Wall: 15724.4, 0.00319349/step, 0.0351284 hours remaining, 240.039062 MB of memory in use. ENERGY: 4960400 3994.1512 20408.9795 14470.2239 253.0673 -203689.4231 2652.9431 0.0000 0.0000 51840.1116 -110069.9465 297.9258 -161910.0581 -109709.7816 298.6336 27.4647 60.2642 760275.9931 5.2245 5.2561 PRESSURE: 4960600 72.7079 -28.4421 -49.4838 -28.4427 -66.2533 64.0964 -49.4842 64.0966 -4.12438 GPRESSURE: 4960600 10.6221 6.16251 -41.9735 -49.8405 47.2215 53.0609 -67.0732 125.555 19.958 PRESSAVG: 4960600 15.0511 -57.7772 16.1604 -57.7772 -16.3323 29.6865 16.1604 29.6865 -16.0499 GPRESSAVG: 4960600 14.3504 -56.1286 16.96 -59.0803 -16.5921 31.5919 15.1495 28.2485 -14.7599 TIMING: 4960600 CPU: 15725, 0.00315487/step Wall: 15725, 0.00315487/step, 0.0345282 hours remaining, 240.039062 MB of memory in use. ENERGY: 4960600 3933.3899 20481.3660 14439.4546 226.6415 -203288.2250 2231.9731 0.0000 0.0000 52063.7993 -109911.6006 299.2114 -161975.3999 -109546.2870 298.8345 0.7768 25.9338 759407.4374 -5.7770 -5.6672 PRESSURE: 4960800 -348.74 -308.143 170.376 -308.143 -293.298 354.153 170.376 354.153 28.7753 GPRESSURE: 4960800 -261.325 -331.031 112.855 -305.709 -236.776 297.712 122.897 369.004 -16.2673 PRESSAVG: 4960800 18.5153 -20.4642 -13.1176 -20.4641 -21.2959 37.5927 -13.1175 37.5926 12.1025 GPRESSAVG: 4960800 18.5248 -19.5587 -12.8587 -17.6291 -22.2215 35.7001 -11.7905 39.6203 13.184 TIMING: 4960800 CPU: 15725.7, 0.00312322/step Wall: 15725.7, 0.00312322/step, 0.0340084 hours remaining, 240.039062 MB of memory in use. ENERGY: 4960800 3990.4205 20439.3960 14481.2251 220.4840 -203148.7998 2252.1878 0.0000 0.0000 51917.6140 -109847.4723 298.3712 -161765.0864 -109494.5132 298.3336 -204.4209 -171.4559 760274.0471 3.1073 3.1624 PRESSURE: 4961000 283.593 -3.28989 -116.865 -3.28906 80.9952 72.571 -116.865 72.5715 -531.141 GPRESSURE: 4961000 343.194 -62.9767 -156.207 -118.015 51.7858 3.80513 -199.205 142.109 -488.943 PRESSAVG: 4961000 -28.9951 4.07429 -10.8233 4.07428 37.0884 -16.1269 -10.8233 -16.1268 -1.94952 GPRESSAVG: 4961000 -29.4139 3.73644 -11.0801 3.2212 37.8992 -13.8385 -11.3743 -17.1774 -2.45768 TIMING: 4961000 CPU: 15726.3, 0.00312582/step Wall: 15726.3, 0.00312582/step, 0.0338631 hours remaining, 240.039062 MB of memory in use. ENERGY: 4961000 3868.8789 20557.8335 14440.9286 255.6910 -203312.1640 2655.9763 0.0000 0.0000 51851.3914 -109681.4643 297.9907 -161532.8557 -109319.4130 299.3089 -55.5173 -31.3213 759355.3366 2.0479 2.0092 PRESSURE: 4961200 -38.8932 202.263 226.321 202.264 -179.359 -130.752 226.32 -130.751 -75.2686 GPRESSURE: 4961200 -23.9026 103.318 197.463 70.5117 -99.8379 -135.413 184.04 -108.514 -52.0087 PRESSAVG: 4961200 -39.1762 -15.6765 24.09 -15.6765 25.6172 63.9897 24.09 63.9898 -0.435677 GPRESSAVG: 4961200 -38.9984 -16.9661 24.2276 -13.3491 24.0678 63.2385 21.1641 65.1868 0.785899 TIMING: 4961200 CPU: 15726.9, 0.00313952/step Wall: 15726.9, 0.00313952/step, 0.0338371 hours remaining, 240.039062 MB of memory in use. ENERGY: 4961200 4020.1751 20356.9735 14521.9497 251.5853 -203745.0298 2677.2454 0.0000 0.0000 52246.0438 -109671.0569 300.2587 -161917.1007 -109298.3571 299.1993 -97.8402 -58.5831 760269.0505 -4.6649 -4.7149 PRESSURE: 4961400 81.6854 122.597 -34.0091 122.597 -156.716 -236.645 -34.0083 -236.645 -386.753 GPRESSURE: 4961400 102.534 184.706 -57.7029 27.0577 -59.9701 -205.703 40.9794 -174.614 -407.135 PRESSAVG: 4961400 -21.5609 -26.5899 -13.1886 -26.59 10.8136 -4.81212 -13.1886 -4.81218 4.36973 GPRESSAVG: 4961400 -22.0441 -24.793 -13.6996 -30.1751 12.1003 -5.572 -13.6771 -6.31082 3.77208 TIMING: 4961400 CPU: 15727.5, 0.00314912/step Wall: 15727.5, 0.00314912/step, 0.0337656 hours remaining, 240.039062 MB of memory in use. ENERGY: 4961400 3929.3716 20465.1962 14502.8540 256.5997 -203352.0799 2394.0376 0.0000 0.0000 52052.5537 -109751.4672 299.1467 -161804.0209 -109396.8596 299.0883 -153.9280 -121.5237 758981.0600 -2.1259 -2.0572 PRESSURE: 4961600 -38.2793 -234.303 -122.867 -234.303 117.299 43.7215 -122.866 43.7211 -168.96 GPRESSURE: 4961600 -21.9227 -194.429 -122.496 -107.756 178.37 52.6476 88.7595 -72.4987 -162.309 PRESSAVG: 4961600 -34.0421 -10.083 -50.3043 -10.083 44.0644 0.258612 -50.3044 0.258576 8.91047 GPRESSAVG: 4961600 -33.2415 -10.7072 -51.2062 -10.2669 43.045 1.64461 -45.7036 0.0749789 8.97831 TIMING: 4961600 CPU: 15728.2, 0.00313431/step Wall: 15728.2, 0.00313431/step, 0.0334326 hours remaining, 240.039062 MB of memory in use. ENERGY: 4961600 4032.7622 20533.5501 14439.4132 251.8427 -203102.7847 2282.9059 0.0000 0.0000 51876.8005 -109685.5102 298.1367 -161562.3107 -109323.8005 298.5365 -29.9800 -1.9536 759774.3134 6.3109 6.2606 PRESSURE: 4961800 95.6525 211.448 31.0468 211.449 74.509 121.824 31.0453 121.824 -59.8574 GPRESSURE: 4961800 87.1704 314.955 11.9572 202.25 110.839 172.827 47.9985 99.644 6.17498 PRESSAVG: 4961800 73.0618 -1.06752 -43.125 -1.06751 -14.0134 24.5055 -43.125 24.5055 -28.0331 GPRESSAVG: 4961800 72.6271 -0.555372 -42.6415 -0.0675296 -14.531 24.2519 -45.0908 23.2574 -26.9748 TIMING: 4961800 CPU: 15728.8, 0.00316054/step Wall: 15728.8, 0.00316055/step, 0.0335369 hours remaining, 240.039062 MB of memory in use. ENERGY: 4961800 3914.7742 20347.7679 14390.5317 229.3846 -203569.4026 2830.0530 0.0000 0.0000 52381.1621 -109475.7290 301.0353 -161856.8912 -109113.0066 299.3789 36.7680 68.0616 761419.2748 10.3384 10.3738 PRESSURE: 4962000 -157.948 96.113 -166.334 96.113 -83.2605 -302.782 -166.335 -302.783 -81.5853 GPRESSURE: 4962000 -113.684 -14.6829 -98.6866 198.533 -21.4451 -260.143 -155.176 -219.472 -102.255 PRESSAVG: 4962000 15.7165 65.1751 -18.9595 65.1752 3.23226 -28.937 -18.9595 -28.937 -8.79497 GPRESSAVG: 4962000 16.7177 64.1776 -17.1247 67.2857 3.60627 -29.6294 -20.0114 -25.4364 -10.5719 TIMING: 4962000 CPU: 15729.4, 0.00312881/step Wall: 15729.4, 0.00312881/step, 0.0330263 hours remaining, 240.039062 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: 4962000 3923.9813 20461.1065 14459.7720 246.7871 -203284.5430 2739.5892 0.0000 0.0000 52059.2676 -109394.0393 299.1853 -161453.3069 -109035.3538 299.6017 -107.5981 -79.1279 760268.2819 3.3846 3.2507 PRESSURE: 4962200 118.951 -16.8161 -47.7565 -16.8158 -323.853 -233.253 -47.756 -233.253 -247.779 GPRESSURE: 4962200 103.493 -39.0413 5.89554 -32.702 -268.643 -240.963 -15.2555 -240.949 -203.186 PRESSAVG: 4962200 -3.12269 -19.0823 -29.278 -19.0822 -12.1269 -20.2862 -29.278 -20.2862 0.597359 GPRESSAVG: 4962200 -3.80547 -17.8442 -29.2014 -20.6829 -12.1466 -18.8726 -28.4294 -20.7844 0.79107 TIMING: 4962200 CPU: 15730, 0.00311805/step Wall: 15730, 0.00311805/step, 0.0327395 hours remaining, 240.039062 MB of memory in use. ENERGY: 4962200 4047.2415 20556.3253 14517.5913 231.8887 -203345.0294 2498.5953 0.0000 0.0000 52026.2126 -109467.1747 298.9954 -161493.3873 -109118.8451 299.4715 -150.8936 -122.7784 761862.7665 -4.8841 -5.0537 PRESSURE: 4962400 -68.4388 139.441 127.752 139.44 -251.71 53.6422 127.752 53.6429 -37.6615 GPRESSURE: 4962400 3.26695 191.695 -69.1485 128.975 -192.502 73.7969 55.1233 54.2606 -78.9626 PRESSAVG: 4962400 14.0864 29.1399 -28.6306 29.1399 -10.2082 -45.8785 -28.6305 -45.8784 -1.82138 GPRESSAVG: 4962400 12.9877 27.6913 -31.7489 27.7517 -10.1004 -47.222 -30.2438 -45.7512 -1.099 TIMING: 4962400 CPU: 15730.7, 0.00312531/step Wall: 15730.7, 0.00312531/step, 0.0326421 hours remaining, 240.039062 MB of memory in use. ENERGY: 4962400 3960.1275 20470.7975 14418.7540 248.1917 -203483.4065 2742.5111 0.0000 0.0000 52111.4150 -109531.6098 299.4850 -161643.0248 -109173.8810 299.6463 -119.2700 -89.3994 761567.3105 0.6856 0.5961 PRESSURE: 4962600 188.993 -156.507 67.3026 -156.507 121.186 202.808 67.3028 202.808 -397.299 GPRESSURE: 4962600 210.947 -263.103 170.881 -118.512 76.0621 280.064 47.0021 81.0898 -304.773 PRESSAVG: 4962600 -16.1217 -26.9626 35.9897 -26.9625 -43.4499 -17.13 35.9897 -17.1301 1.73336 GPRESSAVG: 4962600 -15.99 -27.93 36.9935 -24.2314 -42.7767 -15.9811 37.6463 -19.8267 0.598176 TIMING: 4962600 CPU: 15731.3, 0.00314129/step Wall: 15731.3, 0.00314129/step, 0.0326345 hours remaining, 240.039062 MB of memory in use. ENERGY: 4962600 4061.1399 20401.7226 14418.4256 260.5609 -203501.4345 2744.0979 0.0000 0.0000 52018.3830 -109597.1044 298.9504 -161615.4874 -109240.5705 299.3541 -29.0402 -5.9212 761727.7560 -19.2794 -19.3895 PRESSURE: 4962800 -190.47 94.7021 -59.5371 94.7017 95.0687 -111.738 -59.5377 -111.738 -190.093 GPRESSURE: 4962800 -121.999 -9.08122 -30.1759 104.666 103.685 -136.681 -192.33 9.61033 -184.753 PRESSAVG: 4962800 -4.72296 -27.1097 -13.5795 -27.1097 35.8031 -7.55769 -13.5795 -7.55772 -9.74468 GPRESSAVG: 4962800 -3.60329 -27.2772 -13.6658 -26.6737 35.4695 -7.70368 -13.8717 -3.96324 -9.96608 TIMING: 4962800 CPU: 15731.9, 0.00310997/step Wall: 15731.9, 0.00310997/step, 0.0321364 hours remaining, 240.039062 MB of memory in use. ENERGY: 4962800 3999.6571 20468.4232 14536.0846 255.5926 -203161.6203 2318.6215 0.0000 0.0000 51969.5795 -109613.6619 298.6699 -161583.2415 -109255.8170 299.4383 -95.1649 -67.6891 760393.9187 7.1118 7.3001 PRESSURE: 4963000 -127.998 39.2644 -19.0998 39.2635 -171.196 24.5694 -19.1001 24.5687 -101.357 GPRESSURE: 4963000 -151.289 73.508 -66.978 98.7924 -73.9907 22.4528 -62.2043 53.0917 -73.6684 PRESSAVG: 4963000 13.5331 -1.84751 -53.935 -1.84745 -44.5735 -28.5103 -53.9349 -28.5103 1.48038 GPRESSAVG: 4963000 12.7408 0.490468 -52.3819 -3.39151 -44.1282 -29.7794 -55.2611 -29.2271 2.41939 TIMING: 4963000 CPU: 15732.5, 0.00310527/step Wall: 15732.5, 0.00310527/step, 0.0319153 hours remaining, 240.039062 MB of memory in use. ENERGY: 4963000 3957.3469 20582.1712 14490.9418 224.9293 -203300.8658 2458.1942 0.0000 0.0000 52066.1235 -109521.1590 299.2247 -161587.2825 -109157.5490 299.0845 -133.5172 -99.6494 759822.2956 -9.8534 -9.6560 PRESSURE: 4963200 -50.9957 -152.743 92.8603 -152.742 16.1616 -149.569 92.8607 -149.569 -485 GPRESSURE: 4963200 -32.123 1.63603 63.1315 -197.382 57.2762 -128.909 82.7169 -144.779 -463.169 PRESSAVG: 4963200 -13.043 -39.6061 26.7099 -39.6061 -21.2146 -38.7865 26.7099 -38.7865 -1.67336 GPRESSAVG: 4963200 -14.0742 -39.6433 27.1181 -40.6385 -20.6435 -39.1786 26.4459 -40.5739 -1.39108 TIMING: 4963200 CPU: 15733.2, 0.00309964/step Wall: 15733.2, 0.00309964/step, 0.0316852 hours remaining, 240.039062 MB of memory in use. ENERGY: 4963200 4034.9743 20473.1860 14490.7950 258.9206 -203458.2796 2539.3249 0.0000 0.0000 52107.9103 -109553.1686 299.4649 -161661.0789 -109188.1935 299.8582 -173.2781 -146.0053 760480.6270 -11.9770 -12.0362 PRESSURE: 4963400 174.864 -13.6403 81.4933 -13.6407 351.82 -19.979 81.493 -19.9795 536.22 GPRESSURE: 4963400 183.502 -77.1824 90.3335 95.4988 439.965 45.6629 47.2324 -23.9561 518.179 PRESSAVG: 4963400 -6.97426 1.69671 -61.9784 1.69673 -9.10271 -22.369 -61.9784 -22.3691 -15.1466 GPRESSAVG: 4963400 -4.27786 2.21803 -62.8698 1.19349 -11.6036 -22.4309 -60.295 -22.3429 -15.5219 TIMING: 4963400 CPU: 15733.8, 0.003141/step Wall: 15733.8, 0.003141/step, 0.0319335 hours remaining, 240.039062 MB of memory in use. ENERGY: 4963400 3951.6986 20641.3901 14547.8865 245.1768 -203957.3527 2919.7214 0.0000 0.0000 52189.8297 -109461.6497 299.9357 -161651.4794 -109094.3533 299.4990 354.3010 380.5489 760268.2602 -10.4079 -10.4678 PRESSURE: 4963600 -31.7817 -58.6933 171.929 -58.6937 9.4308 5.02912 171.929 5.02832 -114.453 GPRESSURE: 4963600 -25.9373 36.9605 78.2957 -72.5676 102.067 -29.0412 205.566 -81.9676 -114.88 PRESSAVG: 4963600 20.6794 -54.0017 -56.566 -54.0017 -13.2444 -13.405 -56.5659 -13.4049 18.9435 GPRESSAVG: 4963600 20.4684 -54.611 -56.342 -53.3292 -11.9972 -12.8171 -56.4627 -12.7441 18.623 TIMING: 4963600 CPU: 15734.4, 0.00313158/step Wall: 15734.4, 0.00313159/step, 0.0316638 hours remaining, 240.039062 MB of memory in use. ENERGY: 4963600 4022.4126 20552.8881 14436.3154 232.5484 -203610.1740 2768.5249 0.0000 0.0000 52258.7424 -109338.7424 300.3317 -161597.4848 -108993.3108 299.9506 -45.6013 -12.9171 760218.9095 8.7928 9.0314 PRESSURE: 4963800 -211.904 -111.777 81.2418 -111.777 -34.4866 -5.18708 81.2419 -5.18639 55.5394 GPRESSURE: 4963800 -54.006 -65.8575 129.591 -124.045 -89.5013 -59.7264 -133.092 21.3372 37.1259 PRESSAVG: 4963800 -62.2415 -35.2126 4.74685 -35.2126 44.8756 30.7941 4.74689 30.7941 -4.69308 GPRESSAVG: 4963800 -62.578 -37.568 4.87564 -34.1591 44.594 31.6964 4.55824 28.8775 -4.0678 TIMING: 4963800 CPU: 15735.1, 0.00316155/step Wall: 15735.1, 0.00316155/step, 0.0317912 hours remaining, 240.039062 MB of memory in use. ENERGY: 4963800 3964.2247 20461.9172 14421.1161 250.1524 -203269.9721 2395.0861 0.0000 0.0000 52121.8531 -109655.6226 299.5450 -161777.4757 -109287.9406 299.1647 -63.6172 -35.4605 761175.8200 -7.3530 -7.3506 PRESSURE: 4964000 221.67 27.9657 109.924 27.9662 11.486 41.5931 109.924 41.5926 -125.361 GPRESSURE: 4964000 213.053 -1.02131 168.761 -80.8073 69.2518 1.87138 112.798 110.844 -73.6387 PRESSAVG: 4964000 -11.9176 -41.4547 21.9096 -41.4547 -16.5189 -1.39344 21.9095 -1.39348 20.463 GPRESSAVG: 4964000 -14.3088 -38.818 22.4393 -43.7803 -14.2663 -3.38842 22.3404 0.140992 20.479 TIMING: 4964000 CPU: 15735.7, 0.00315927/step Wall: 15735.7, 0.00315927/step, 0.0315927 hours remaining, 240.039062 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: 4964000 3960.4104 20503.7314 14443.5288 254.5348 -203476.1139 2352.6037 0.0000 0.0000 52242.7669 -109718.5379 300.2399 -161961.3048 -109350.7884 299.3010 35.9318 69.5555 760213.8797 -2.6578 -2.6987 PRESSURE: 4964200 -96.7888 13.5657 -4.90842 13.5659 -208.929 -53.5632 -4.90751 -53.5627 227.039 GPRESSURE: 4964200 -84.2122 50.9075 -138.615 -30.7505 -162.4 24.2728 132.708 -18.5602 239.56 PRESSAVG: 4964200 -39.1969 -56.0412 9.27297 -56.0412 -9.10897 -6.91894 9.27294 -6.91893 -0.401386 GPRESSAVG: 4964200 -37.3186 -56.3987 8.71612 -54.6835 -12.6665 -6.94619 9.90662 -6.85598 1.07076 TIMING: 4964200 CPU: 15736.3, 0.00312585/step Wall: 15736.3, 0.00312585/step, 0.0310848 hours remaining, 240.039062 MB of memory in use. ENERGY: 4964200 3957.0500 20507.8306 14492.4309 260.8885 -203468.4577 2637.1195 0.0000 0.0000 51999.5460 -109613.5923 298.8421 -161613.1383 -109255.8131 299.0810 -26.2264 -2.3505 760378.2842 -16.2357 -16.3048 LDB: ============= START OF LOAD BALANCING ============== 15748.8 LDB: ============== END OF LOAD BALANCING =============== 15748.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15748.8 LDB: ============= START OF LOAD BALANCING ============== 15749.1 LDB: Largest compute 7077 load 0.032915 is 16.8% of average load 0.195420 LDB: Average compute 0.004391 is 2.2% of average load 0.195420 LDB: TIME 15749.1 LOAD: AVG 0.19542 MAX 0.214576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.09 MB LDB: TIME 15749.1 LOAD: AVG 0.19542 MAX 0.214576 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.289 MB LDB: TIME 15749.1 LOAD: AVG 0.19542 MAX 0.214576 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.289 MB LDB: ============== END OF LOAD BALANCING =============== 15749.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15749.1 PRESSURE: 4964400 3.45177 13.7248 147.577 13.724 -33.8295 -33.069 147.577 -33.0685 392.647 GPRESSURE: 4964400 74.1126 -33.877 97.2531 -112.63 22.1325 -77.3128 228.723 41.018 344.017 PRESSAVG: 4964400 49.0517 -33.7969 -0.171431 -33.7969 -32.553 -4.52542 -0.171477 -4.52548 -3.69974 GPRESSAVG: 4964400 49.7805 -35.2127 -0.0464254 -32.9576 -31.6629 -3.90378 -0.267604 -4.83179 -5.6507 TIMING: 4964400 CPU: 15736.9, 0.00320105/step Wall: 15736.9, 0.00320105/step, 0.0316549 hours remaining, 241.320312 MB of memory in use. ENERGY: 4964400 3920.2041 20551.0373 14487.1460 234.0236 -204077.6767 3066.9970 0.0000 0.0000 52193.1622 -109625.1064 299.9548 -161818.2686 -109264.8357 299.0944 120.7566 146.7539 759945.5724 4.2663 4.1556 PRESSURE: 4964600 223.054 -345.71 23.8003 -345.71 -30.7501 47.5011 23.8003 47.5011 -352.673 GPRESSURE: 4964600 207.077 -301.543 39.7907 -445.035 -25.9258 54.1502 -9.33335 38.8106 -275.234 PRESSAVG: 4964600 -20.653 -61.0742 -50.5683 -61.0742 39.5022 3.62364 -50.5683 3.62359 10.6595 GPRESSAVG: 4964600 -21.1085 -61.3522 -50.39 -61.1883 39.1538 2.97987 -51.7033 3.97018 11.5729 TIMING: 4964600 CPU: 15737.6, 0.00312153/step Wall: 15737.6, 0.00312153/step, 0.030695 hours remaining, 241.390625 MB of memory in use. ENERGY: 4964600 3908.2886 20546.3818 14481.0083 249.1274 -203783.3742 2775.4696 0.0000 0.0000 52152.4512 -109670.6472 299.7209 -161823.0984 -109297.1867 299.5502 -53.4564 -31.3610 760006.4272 9.8362 9.8727 PRESSURE: 4964800 -126.339 -82.1973 125.51 -82.1971 -413.607 198.667 125.509 198.666 191.743 GPRESSURE: 4964800 -159.493 -174.915 220.285 -143.112 -268.776 244.794 0.232446 95.4526 159.622 PRESSAVG: 4964800 -34.1328 -46.4184 40.5083 -46.4184 39.0059 17.8005 40.5083 17.8004 -2.11457 GPRESSAVG: 4964800 -35.018 -44.6377 40.5754 -48.2357 40.9103 18.0557 41.3694 18.4034 -2.84405 TIMING: 4964800 CPU: 15738.2, 0.00312421/step Wall: 15738.2, 0.00312421/step, 0.0305478 hours remaining, 241.390625 MB of memory in use. ENERGY: 4964800 3974.5291 20521.7413 14500.0902 255.1165 -203844.5867 2945.2090 0.0000 0.0000 52011.4905 -109636.4100 298.9108 -161647.9005 -109284.0155 299.2420 -116.0678 -89.5492 760497.7184 0.9195 1.0161 PRESSURE: 4965000 -190.366 -84.935 186.509 -84.9347 377.457 -113.851 186.508 -113.851 -361.135 GPRESSURE: 4965000 -175.95 -145.55 236.063 -109.632 421.879 -47.3599 78.2653 97.6303 -327.36 PRESSAVG: 4965000 -10.7511 -57.2842 23.4929 -57.2842 33.8509 -17.457 23.4929 -17.4569 21.6481 GPRESSAVG: 4965000 -8.8324 -55.8464 22.8746 -56.6332 32.48 -16.9234 22.9521 -18.9192 21.8766 TIMING: 4965000 CPU: 15738.8, 0.00313334/step Wall: 15738.8, 0.00313334/step, 0.030463 hours remaining, 241.390625 MB of memory in use. ENERGY: 4965000 3961.4858 20406.2406 14561.7513 258.0495 -203869.2996 2757.2352 0.0000 0.0000 52237.9908 -109686.5465 300.2125 -161924.5373 -109315.6978 299.2878 -58.0144 -27.1435 760374.7541 14.9159 15.1747 PRESSURE: 4965200 -88.439 -123.097 -87.2794 -123.097 -177.24 17.3536 -87.2795 17.3536 -238.029 GPRESSURE: 4965200 -40.2591 -95.1979 -23.1226 -14.5323 -113.045 -113.225 -71.1069 -0.0579864 -253.534 PRESSAVG: 4965200 -19.9844 -42.5096 -15.2195 -42.5096 19.0864 17.0049 -15.2195 17.0049 18.4675 GPRESSAVG: 4965200 -20.2179 -43.7315 -16.1929 -41.4043 19.5899 15.6388 -12.6113 17.2725 18.3009 TIMING: 4965200 CPU: 15739.4, 0.00310645/step Wall: 15739.4, 0.00310645/step, 0.030029 hours remaining, 241.390625 MB of memory in use. ENERGY: 4965200 4057.4326 20560.6174 14475.5826 242.9644 -203138.6181 2481.1540 0.0000 0.0000 51750.9624 -109569.9047 297.4135 -161320.8671 -109209.1879 299.0295 -167.9028 -135.6125 761957.1856 5.8565 5.8910 PRESSURE: 4965400 318.055 -23.037 -8.11289 -23.0359 275.273 67.8317 -8.11319 67.8327 -57.4913 GPRESSURE: 4965400 306.574 -15.6804 -113.512 12.445 399.79 -42.0881 24.2279 130.025 -51.3474 PRESSAVG: 4965400 -6.34188 -25.1851 13.95 -25.185 22.1469 -8.22108 13.95 -8.22098 -2.6367 GPRESSAVG: 4965400 -6.74608 -24.2245 14.981 -27.0821 22.2995 -7.85854 11.4749 -7.91183 -2.41423 TIMING: 4965400 CPU: 15740.1, 0.00313117/step Wall: 15740.1, 0.00313117/step, 0.0300941 hours remaining, 241.390625 MB of memory in use. ENERGY: 4965400 3989.4600 20518.6732 14432.2102 232.1811 -203751.2103 2816.0742 0.0000 0.0000 52269.2272 -109493.3845 300.3920 -161762.6117 -109125.4847 299.3666 178.6122 218.3389 758438.8698 4.3894 4.3797 PRESSURE: 4965600 -133.91 240.845 -67.4768 240.844 89.5808 319.565 -67.4769 319.565 188.664 GPRESSURE: 4965600 -152.71 215.101 -97.3183 -43.3884 151.562 284.419 -45.3895 222.764 230.26 PRESSAVG: 4965600 -16.325 -56.8281 30.0781 -56.8281 26.676 40.4897 30.0782 40.4897 17.6181 GPRESSAVG: 4965600 -16.1553 -58.8897 30.2852 -56.6582 27.1438 40.1727 29.372 40.9967 17.119 TIMING: 4965600 CPU: 15740.7, 0.00311716/step Wall: 15740.7, 0.00311716/step, 0.0297862 hours remaining, 241.390625 MB of memory in use. ENERGY: 4965600 3925.0471 20692.2267 14396.9503 241.4323 -203450.2293 2498.0433 0.0000 0.0000 52186.1520 -109510.3775 299.9145 -161696.5295 -109150.7991 299.7917 48.1114 76.3710 760211.4231 9.3230 9.3692 PRESSURE: 4965800 -334.84 19.4126 -269.342 19.4127 7.50099 18.7054 -269.342 18.706 228.325 GPRESSURE: 4965800 -247.098 32.973 -368.399 6.99854 13.4794 -33.6315 -81.635 8.2964 190.314 PRESSAVG: 4965800 -40.1393 -25.3099 -26.4439 -25.3098 25.5848 25.244 -26.4439 25.2441 -10.5915 GPRESSAVG: 4965800 -40.6161 -24.9263 -27.3985 -23.53 25.3852 27.407 -24.879 23.615 -10.1444 TIMING: 4965800 CPU: 15741.3, 0.0031253/step Wall: 15741.3, 0.0031253/step, 0.0296904 hours remaining, 241.390625 MB of memory in use. ENERGY: 4965800 3956.9897 20721.3029 14412.1061 254.4000 -203381.9242 2511.6680 0.0000 0.0000 52099.2927 -109426.1647 299.4154 -161525.4574 -109073.8369 299.4054 -33.0045 -14.4348 760881.3856 -8.3820 -8.4584 PRESSURE: 4966000 -56.1555 -72.318 -54.7364 -72.319 -306.82 130.228 -54.7372 130.228 52.4804 GPRESSURE: 4966000 -104.034 -114.282 -108.004 -139.707 -273.958 95.393 50.84 114.742 159.207 PRESSAVG: 4966000 -8.8153 -0.903485 -13.1834 -0.903536 -5.18217 82.709 -13.1835 82.709 4.43634 GPRESSAVG: 4966000 -8.95248 -1.80865 -11.1882 -1.87664 -3.80293 82.0083 -12.9063 82.5492 4.22308 TIMING: 4966000 CPU: 15741.9, 0.003114/step Wall: 15741.9, 0.003114/step, 0.02941 hours remaining, 241.390625 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: 4966000 4026.8739 20511.6758 14490.3733 250.9043 -203056.2394 2352.8650 0.0000 0.0000 52000.7213 -109422.8258 298.8489 -161423.5472 -109069.2299 299.1262 -103.4983 -72.9283 761416.0362 -3.1870 -2.8441 PRESSURE: 4966200 -23.6203 -26.7365 -159.101 -26.7361 90.2948 261.016 -159.101 261.015 637.968 GPRESSURE: 4966200 97.4491 -56.1749 -58.1774 -33.0797 150.065 293.301 -359.853 178.834 530.283 PRESSAVG: 4966200 -6.85873 14.0226 -14.2268 14.0226 17.109 46.4806 -14.2268 46.4806 24.9315 GPRESSAVG: 4966200 -6.14317 13.0181 -13.5323 14.6156 16.4697 46.266 -15.1096 49.484 24.2344 TIMING: 4966200 CPU: 15742.6, 0.00310672/step Wall: 15742.6, 0.00310672/step, 0.0291687 hours remaining, 241.390625 MB of memory in use. ENERGY: 4966200 3893.3582 20541.2867 14512.2414 249.8560 -203844.8790 2738.5105 0.0000 0.0000 52247.4131 -109662.2132 300.2666 -161909.6263 -109304.9693 299.7977 234.8807 259.2654 758706.6076 11.7273 11.5203 PRESSURE: 4966400 -223.239 -14.1411 -79.3183 -14.1412 58.4665 -136.294 -79.3185 -136.293 -110.092 GPRESSURE: 4966400 -278.599 -25.3916 -138.646 39.6349 110.772 -190.903 108.207 -214.586 -39.078 PRESSAVG: 4966400 21.9253 -9.06796 -33.8194 -9.06797 -28.1178 3.5887 -33.8194 3.58872 -10.4279 GPRESSAVG: 4966400 21.413 -5.82632 -37.985 -7.43937 -28.9511 4.0449 -32.1555 0.670834 -9.26637 TIMING: 4966400 CPU: 15743.2, 0.00310878/step Wall: 15743.2, 0.00310878/step, 0.0290153 hours remaining, 241.390625 MB of memory in use. ENERGY: 4966400 4058.6822 20510.2734 14463.3785 232.3024 -203393.1654 2600.4842 0.0000 0.0000 52153.3188 -109374.7260 299.7258 -161528.0448 -109013.4245 299.5285 -91.6212 -68.9683 761640.6281 -5.5401 -5.6015 PRESSURE: 4966600 -6.76912 120.451 126.991 120.452 -244.192 -127.12 126.991 -127.12 -231.095 GPRESSURE: 4966600 3.35018 -19.8361 104.571 99.645 -170.825 -70.4948 179.209 -123.63 -242.053 PRESSAVG: 4966600 -6.53597 -25.3565 32.2758 -25.3564 -2.03079 43.9527 32.2758 43.9527 8.47561 GPRESSAVG: 4966600 -5.65405 -26.2946 34.6263 -26.7649 -0.801641 44.7429 32.1464 45.1842 5.93401 TIMING: 4966600 CPU: 15743.8, 0.0031104/step Wall: 15743.8, 0.0031104/step, 0.0288576 hours remaining, 241.390625 MB of memory in use. ENERGY: 4966600 4069.6325 20701.7991 14485.0639 235.8949 -203626.6632 2635.6331 0.0000 0.0000 52174.9943 -109323.6454 299.8504 -161498.6397 -108970.4444 299.3753 -160.6855 -136.5093 760728.3751 -0.0304 -0.1739 PRESSURE: 4966800 -445.176 -35.8485 -128.942 -35.8474 129.596 4.09512 -128.943 4.09486 -252.035 GPRESSURE: 4966800 -364.709 64.4842 -146.702 -132.513 97.7714 -32.6775 -154.592 -174.773 -227.128 PRESSAVG: 4966800 32.2702 22.869 9.64531 22.869 -14.658 39.0058 9.64538 39.0058 -8.11489 GPRESSAVG: 4966800 31.5097 23.5712 8.08034 23.4063 -15.4336 36.6198 9.61961 38.6444 -6.4001 TIMING: 4966800 CPU: 15744.4, 0.00311015/step Wall: 15744.4, 0.00311015/step, 0.0286825 hours remaining, 241.390625 MB of memory in use. ENERGY: 4966800 4058.9484 20814.4546 14417.6501 245.4611 -203076.0064 2437.5167 0.0000 0.0000 51627.3161 -109474.6595 296.7029 -161101.9756 -109115.2747 299.8146 -189.2051 -164.6883 760574.7559 3.1658 3.2253 PRESSURE: 4967000 -369.697 -45.2805 -38.5637 -45.2803 -56.4931 89.4823 -38.5639 89.4817 -96.1183 GPRESSURE: 4967000 -315.02 -116.908 -53.9615 -25.1155 -33.6889 174.488 65.0532 -76.1116 -97.1978 PRESSAVG: 4967000 14.5708 -23.7654 13.4498 -23.7652 13.4488 54.9661 13.4498 54.966 3.20601 GPRESSAVG: 4967000 14.8327 -23.0597 15.026 -25.1253 13.5025 56.0534 13.4824 53.789 2.73225 TIMING: 4967000 CPU: 15745.1, 0.00310774/step Wall: 15745.1, 0.00310774/step, 0.0284876 hours remaining, 241.390625 MB of memory in use. ENERGY: 4967000 4009.4471 20637.6082 14535.6472 260.3095 -203287.9539 2371.8818 0.0000 0.0000 52046.1614 -109426.8987 299.1100 -161473.0601 -109080.3011 299.8217 -174.1028 -148.6357 759929.3696 10.4085 10.3558 PRESSURE: 4967200 202.348 -81.0771 67.691 -81.0778 247.69 17.8266 67.6903 17.8254 -71.1512 GPRESSURE: 4967200 274.595 11.8881 89.7298 -66.3793 238.057 -71.3859 62.0329 113.735 -53.2222 PRESSAVG: 4967200 -24.9287 -43.7908 20.5217 -43.7908 36.2586 18.6714 20.5217 18.6715 5.60026 GPRESSAVG: 4967200 -25.4272 -45.8045 18.7521 -45.9929 36.8954 19.0924 17.8231 20.4507 5.21822 TIMING: 4967200 CPU: 15745.7, 0.00311949/step Wall: 15745.7, 0.00311949/step, 0.028422 hours remaining, 241.390625 MB of memory in use. ENERGY: 4967200 3960.9903 20557.7545 14490.4457 246.9395 -203376.0107 2600.4287 0.0000 0.0000 51987.1096 -109532.3423 298.7706 -161519.4520 -109171.1757 299.5634 126.2958 153.1432 759116.2673 5.6434 5.5621 PRESSURE: 4967400 -13.5178 -96.1918 -130.636 -96.1926 243.971 96.9245 -130.635 96.9252 20.6938 GPRESSURE: 4967400 13.149 -93.3682 -150.557 -124.757 241.55 196.127 -174.808 -72.3339 88.2244 PRESSAVG: 4967400 25.1889 -50.7643 44.6651 -50.7643 -14.4918 -10.2455 44.6651 -10.2455 8.61175 GPRESSAVG: 4967400 26.3742 -48.934 45.8556 -48.3432 -16.1785 -9.64016 46.1964 -12.7156 9.18748 TIMING: 4967400 CPU: 15746.3, 0.00311487/step Wall: 15746.3, 0.00311487/step, 0.0282069 hours remaining, 241.390625 MB of memory in use. ENERGY: 4967400 3998.4553 20546.9768 14516.2453 239.0276 -203046.1793 2380.9375 0.0000 0.0000 51982.5251 -109382.0118 298.7443 -161364.5369 -109019.1620 299.2877 83.7157 114.3077 760727.6112 6.4363 6.4611 PRESSURE: 4967600 44.8792 90.387 168.837 90.3869 -127.113 -92.3359 168.838 -92.3337 -26.141 GPRESSURE: 4967600 92.6333 13.0162 96.3733 136.335 -109.635 -132.621 142.18 38.2787 -3.47763 PRESSAVG: 4967600 -4.62048 -23.7073 -24.0386 -23.7073 -11.5873 28.2007 -24.0386 28.2007 -8.86977 GPRESSAVG: 4967600 -4.8373 -23.0038 -24.2121 -23.7737 -10.8229 26.5568 -23.6358 31.3945 -9.31506 TIMING: 4967600 CPU: 15746.9, 0.00311483/step Wall: 15746.9, 0.00311483/step, 0.0280335 hours remaining, 241.390625 MB of memory in use. ENERGY: 4967600 3984.9414 20554.6191 14470.5417 244.7346 -203256.2875 2479.0757 0.0000 0.0000 51894.7280 -109627.6469 298.2397 -161522.3749 -109271.1767 299.4268 -36.1251 -6.8263 759932.5328 -8.3592 -8.3251 PRESSURE: 4967800 240.605 -89.8679 195.609 -89.8677 248.687 50.1139 195.61 50.1146 286.327 GPRESSURE: 4967800 307.969 -19.6357 235.58 -9.96476 348.122 9.88263 164.736 77.7505 198.666 PRESSAVG: 4967800 59.095 -48.3199 13.0294 -48.3199 -38.8383 -39.5451 13.0295 -39.5452 6.49696 GPRESSAVG: 4967800 58.0506 -50.7709 13.2314 -47.8824 -37.9414 -38.4518 12.3034 -40.9956 6.76769 TIMING: 4967800 CPU: 15747.5, 0.00309906/step Wall: 15747.5, 0.00309906/step, 0.0277193 hours remaining, 241.390625 MB of memory in use. ENERGY: 4967800 4048.4773 20494.1993 14437.4328 247.4131 -203686.8133 2687.5187 0.0000 0.0000 52156.1309 -109615.6412 299.7420 -161771.7721 -109257.7709 298.9479 258.5398 284.9189 758520.3409 8.9179 8.9590 PRESSURE: 4968000 -245.383 -107.993 212.148 -107.994 -379.166 127.266 212.148 127.266 4.45498 GPRESSURE: 4968000 -336.878 40.503 245.839 -17.813 -182.884 110.03 107.269 128.721 -21.0102 PRESSAVG: 4968000 65.7588 -20.2471 34.0162 -20.2471 -40.9578 59.2481 34.0162 59.2482 -22.548 GPRESSAVG: 4968000 65.9255 -18.9279 34.5405 -19.5544 -40.8872 59.0267 35.9569 59.2361 -22.306 TIMING: 4968000 CPU: 15748.2, 0.00312527/step Wall: 15748.2, 0.00312527/step, 0.0277801 hours remaining, 241.390625 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: 4968000 4022.9285 20578.3817 14449.5680 243.2392 -203271.3863 2254.5497 0.0000 0.0000 52327.7056 -109395.0137 300.7280 -161722.7193 -109031.5876 300.0069 -206.6979 -180.2572 759357.1112 0.7510 0.9108 PRESSURE: 4968200 -192.671 138.277 73.9575 138.276 -221.149 130.653 73.9582 130.654 -495.23 GPRESSURE: 4968200 -54.0477 122.357 109.94 191.295 -193.893 151.019 39.571 67.746 -558.389 PRESSAVG: 4968200 26.3915 22.9586 -55.2908 22.9586 -11.5199 53.0612 -55.2908 53.0613 17.3764 GPRESSAVG: 4968200 27.3541 23.7108 -58.2579 22.5676 -11.4175 51.1917 -56.3204 55.4064 16.7944 TIMING: 4968200 CPU: 15748.8, 0.00311355/step Wall: 15748.8, 0.00311355/step, 0.0275031 hours remaining, 241.390625 MB of memory in use. ENERGY: 4968200 4038.8247 20536.9820 14484.6877 230.5268 -203243.5539 2375.8697 0.0000 0.0000 52078.3394 -109498.3235 299.2949 -161576.6630 -109132.8064 299.5758 -303.0168 -268.7766 761107.2724 10.7494 10.9103 LDB: ============= START OF LOAD BALANCING ============== 15761.2 LDB: ============== END OF LOAD BALANCING =============== 15761.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15761.2 LDB: ============= START OF LOAD BALANCING ============== 15761.5 LDB: Largest compute 7045 load 0.030030 is 15.4% of average load 0.195565 LDB: Average compute 0.004354 is 2.2% of average load 0.195565 LDB: TIME 15761.6 LOAD: AVG 0.195565 MAX 0.215548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.605 MB LDB: TIME 15761.6 LOAD: AVG 0.195565 MAX 0.215548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: TIME 15761.6 LOAD: AVG 0.195565 MAX 0.215548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.609 MB LDB: ============== END OF LOAD BALANCING =============== 15761.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15761.6 PRESSURE: 4968400 -135.199 -71.4508 -59.179 -71.4508 -64.5954 66.073 -59.1787 66.0733 -35.2113 GPRESSURE: 4968400 -141.71 38.0745 -81.6921 -158.25 -13.8486 122.018 -95.0182 52.0061 15.6632 PRESSAVG: 4968400 -58.9874 22.6683 -65.0365 22.6683 -7.58136 13.7785 -65.0365 13.7784 11.462 GPRESSAVG: 4968400 -58.9301 22.8191 -61.9168 23.1715 -6.97535 14.5808 -66.0276 11.0761 11.1406 TIMING: 4968400 CPU: 15749.4, 0.00316485/step Wall: 15749.4, 0.00316485/step, 0.0277804 hours remaining, 242.207031 MB of memory in use. ENERGY: 4968400 3947.5341 20639.8799 14458.4610 253.3890 -203248.8139 2536.0492 0.0000 0.0000 52120.6802 -109292.8205 299.5383 -161413.5007 -108935.9027 299.9917 -78.3353 -46.6318 761263.9834 -18.3689 -18.2549 PRESSURE: 4968600 47.1535 -127.325 -28.6848 -127.325 6.43753 6.90893 -28.684 6.90785 410.772 GPRESSURE: 4968600 116.159 -147.462 -89.9559 -84.8295 108.054 64.5746 83.7608 15.9393 324.226 PRESSAVG: 4968600 16.5359 -15.485 -19.5673 -15.4849 -14.7559 20.8342 -19.5672 20.8341 3.73027 GPRESSAVG: 4968600 16.9341 -15.6217 -19.9835 -16.0299 -16.3577 19.731 -19.3768 21.9011 4.76152 TIMING: 4968600 CPU: 15750, 0.00309861/step Wall: 15750, 0.00309861/step, 0.0270268 hours remaining, 242.273438 MB of memory in use. ENERGY: 4968600 4053.0922 20593.2761 14499.1245 243.8279 -203737.5491 2752.7761 0.0000 0.0000 52255.8534 -109339.5989 300.3151 -161595.4523 -108971.0732 299.5813 154.7877 182.8131 760356.0926 1.8368 1.7793 PRESSURE: 4968800 14.5611 49.1479 87.6968 49.1477 -281.127 -215.88 87.6971 -215.881 -121.845 GPRESSURE: 4968800 -26.1238 18.3168 141.394 -10.7642 -194.397 -210.714 107.476 -188.02 -82.0564 PRESSAVG: 4968800 18.4578 -47.6364 45.769 -47.6363 0.686106 -32.148 45.7691 -32.148 34.202 GPRESSAVG: 4968800 16.7642 -47.5244 43.7665 -48.7237 2.70094 -29.1783 46.8098 -32.5782 34.0904 TIMING: 4968800 CPU: 15750.7, 0.00312936/step Wall: 15750.7, 0.00312936/step, 0.0271211 hours remaining, 242.273438 MB of memory in use. ENERGY: 4968800 4033.1904 20664.2623 14490.8188 264.5620 -203187.4246 2517.4059 0.0000 0.0000 51999.7796 -109217.4055 298.8434 -161217.1852 -108865.2566 300.2672 -129.4702 -100.8591 761551.6131 17.7819 17.8518 PRESSURE: 4969000 -74.8845 -313.59 -160.749 -313.59 -302.262 163.39 -160.75 163.39 124.291 GPRESSURE: 4969000 -174.18 -220.195 -151.525 -251.259 -115.582 81.7885 -160.337 12.1486 132.561 PRESSAVG: 4969000 26.3324 -18.4614 -7.88331 -18.4614 32.6416 43.9185 -7.88327 43.9185 -5.47742 GPRESSAVG: 4969000 26.3647 -19.538 -7.80974 -18.6477 31.7477 42.7735 -8.93514 43.2474 -4.84455 TIMING: 4969000 CPU: 15751.3, 0.00313628/step Wall: 15751.3, 0.00313628/step, 0.0270069 hours remaining, 242.273438 MB of memory in use. ENERGY: 4969000 4018.3342 20763.0345 14488.6495 247.5620 -203572.3165 2606.2178 0.0000 0.0000 52385.7709 -109062.7476 301.0617 -161448.5185 -108700.3210 300.5716 -84.2852 -52.4004 760052.1208 17.8322 17.7560 PRESSURE: 4969200 -8.38635 21.2715 -172.18 21.2708 254.179 -264.864 -172.18 -264.865 71.2498 GPRESSURE: 4969200 70.6288 26.1574 -179.567 94.6317 217.747 -254.538 -182.522 -177.487 103.616 PRESSAVG: 4969200 32.9692 -13.6025 6.46637 -13.6025 6.75951 -14.2667 6.46639 -14.2666 -2.44547 GPRESSAVG: 4969200 33.1167 -14.443 9.07134 -12.5174 7.0538 -13.1955 5.53809 -12.32 -2.80671 TIMING: 4969200 CPU: 15751.9, 0.00312565/step Wall: 15751.9, 0.00312565/step, 0.0267417 hours remaining, 242.273438 MB of memory in use. ENERGY: 4969200 3920.0154 20777.4860 14451.8356 238.7513 -203616.3278 2735.8717 0.0000 0.0000 52123.4571 -109368.9106 299.5542 -161492.3677 -109009.0654 300.3273 105.6808 130.6639 759278.6793 12.4277 12.4546 PRESSURE: 4969400 -45.5192 -66.9514 -111.573 -66.9512 -82.7511 -162.172 -111.573 -162.174 -56.4623 GPRESSURE: 4969400 -9.54333 -116.663 -38.7853 -24.042 -36.8754 -58.3986 -123.921 -37.8413 -56.3562 PRESSAVG: 4969400 2.202 -30.8764 -1.33837 -30.8764 2.1504 20.6323 -1.33838 20.6322 12.443 GPRESSAVG: 4969400 1.65632 -30.7103 -2.33006 -30.5717 2.46335 17.76 -0.316447 20.7199 12.4446 TIMING: 4969400 CPU: 15752.5, 0.00312186/step Wall: 15752.5, 0.00312186/step, 0.0265358 hours remaining, 242.273438 MB of memory in use. ENERGY: 4969400 4066.4903 20610.9604 14535.2732 270.1741 -203598.9691 2766.0538 0.0000 0.0000 51906.9018 -109443.1156 298.3097 -161350.0174 -109083.4383 299.9868 -61.5775 -34.2583 761327.2074 5.5985 5.5214 PRESSURE: 4969600 128.366 1.96743 213.623 1.96891 95.662 90.2538 213.623 90.2531 -12.1202 GPRESSURE: 4969600 221.866 48.9248 209.408 -148.373 131.637 68.9911 195.51 65.7491 -41.8568 PRESSAVG: 4969600 20.2479 -36.2501 64.4759 -36.2501 -49.9961 26.5735 64.4759 26.5736 -16.4602 GPRESSAVG: 4969600 19.5831 -35.7981 63.7968 -36.473 -49.168 25.9677 65.1759 27.8129 -16.2745 TIMING: 4969600 CPU: 15753.2, 0.00311867/step Wall: 15753.2, 0.00311867/step, 0.0263355 hours remaining, 242.273438 MB of memory in use. ENERGY: 4969600 4093.2965 20504.9025 14435.3857 239.1209 -203915.9799 2814.8563 0.0000 0.0000 52342.9514 -109485.4667 300.8157 -161828.4181 -109114.7580 299.6638 70.6360 103.8819 760610.1130 -15.4028 -15.2865 PRESSURE: 4969800 -20.1161 -107.788 -96.9955 -107.788 -33.248 36.22 -96.9952 36.22 -280.88 GPRESSURE: 4969800 -66.8245 -210.246 -152.928 -65.5765 49.3573 -36.242 -14.0001 -94.5383 -242.488 PRESSAVG: 4969800 -16.7095 -31.2624 11.7209 -31.2624 44.8941 12.6427 11.7209 12.6427 -4.69503 GPRESSAVG: 4969800 -15.7212 -30.8079 10.9077 -32.8322 43.5513 14.6876 11.0818 11.4567 -4.18955 TIMING: 4969800 CPU: 15753.8, 0.00312933/step Wall: 15753.8, 0.00312933/step, 0.0262516 hours remaining, 242.273438 MB of memory in use. ENERGY: 4969800 4023.5808 20572.6398 14495.2640 244.3783 -203336.3229 2405.1209 0.0000 0.0000 51932.3951 -109662.9440 298.4562 -161595.3390 -109299.6640 299.7584 -111.4148 -86.6516 761006.6329 7.8299 7.8802 PRESSURE: 4970000 -555.889 76.1095 73.5817 76.1086 -138.321 72.543 73.5823 72.5417 -209.134 GPRESSURE: 4970000 -517.3 73.7525 -4.44113 152.966 -168.773 -93.308 -62.0017 103.855 -126.803 PRESSAVG: 4970000 -17.5139 -26.4308 -30.3597 -26.4308 -7.38136 11.4982 -30.3597 11.4984 -5.57581 GPRESSAVG: 4970000 -17.3242 -26.2391 -28.8692 -25.7776 -7.54183 9.6341 -31.1633 11.0862 -5.67753 TIMING: 4970000 CPU: 15754.4, 0.00311836/step Wall: 15754.4, 0.00311836/step, 0.0259864 hours remaining, 242.273438 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: 4970000 4048.2153 20732.9467 14496.2893 224.9495 -203491.0599 2551.6165 0.0000 0.0000 51720.9547 -109716.0878 297.2410 -161437.0425 -109359.4766 298.6860 -301.1147 -270.9585 760879.3436 -10.1570 -10.1812 PRESSURE: 4970200 -33.8437 -94.661 133.9 -94.6609 77.2709 121.302 133.899 121.303 494.452 GPRESSURE: 4970200 45.8683 -121.075 200.244 -200.725 82.8092 50.9791 111.999 167.16 485.511 PRESSAVG: 4970200 -62.8796 -34.963 60.898 -34.963 14.0023 67.1963 60.898 67.1964 -1.72425 GPRESSAVG: 4970200 -63.8698 -34.4336 61.5122 -36.5402 15.8621 68.624 61.889 67.7407 -1.93184 TIMING: 4970200 CPU: 15755, 0.00313909/step Wall: 15755, 0.00313909/step, 0.0259847 hours remaining, 242.273438 MB of memory in use. ENERGY: 4970200 3900.5205 20686.8541 14372.5543 263.4457 -203849.7397 3006.4605 0.0000 0.0000 51918.8236 -109701.0811 298.3782 -161619.9047 -109341.8428 298.8332 179.2931 204.7295 760962.9864 -16.8672 -16.6465 PRESSURE: 4970400 -551.542 -55.0157 -17.4405 -55.015 -64.8611 -199.113 -17.44 -199.112 -209.222 GPRESSURE: 4970400 -463.096 -89.4722 -142.074 37.3505 -87.7 -244.6 -11.0631 -148.726 -186.787 PRESSAVG: 4970400 16.1405 -19.3861 24.729 -19.3861 -1.01735 32.6411 24.729 32.6411 25.0081 GPRESSAVG: 4970400 18.5809 -20.8051 24.0629 -17.264 -3.53194 31.902 23.0276 31.4796 24.8731 TIMING: 4970400 CPU: 15755.7, 0.00312755/step Wall: 15755.7, 0.00312755/step, 0.0257154 hours remaining, 242.273438 MB of memory in use. ENERGY: 4970400 3945.4813 20435.6486 14508.0553 254.3375 -203607.3751 2395.0089 0.0000 0.0000 52197.6912 -109871.1523 299.9808 -162068.8434 -109508.9399 298.8148 -275.2084 -245.8611 761382.4576 13.3771 13.3074 PRESSURE: 4970600 -306.829 24.9598 -59.8975 24.9597 -169.809 -234.313 -59.8971 -234.315 -479.351 GPRESSURE: 4970600 -265.95 -3.07032 -63.3988 38.4506 -64.6539 -157.213 -42.548 -249.228 -549.619 PRESSAVG: 4970600 -12.0191 -49.6076 -21.2264 -49.6076 39.1038 -15.4772 -21.2264 -15.4772 11.7309 GPRESSAVG: 4970600 -13.0768 -48.6187 -19.3458 -50.3365 40.1018 -15.1542 -20.4242 -13.9951 11.3843 TIMING: 4970600 CPU: 15756.3, 0.00312563/step Wall: 15756.3, 0.00312563/step, 0.025526 hours remaining, 242.273438 MB of memory in use. ENERGY: 4970600 3963.1973 20428.6095 14475.2202 241.1924 -203437.6612 2414.6822 0.0000 0.0000 52125.6393 -109789.1203 299.5668 -161914.7595 -109422.7683 298.5189 -318.6631 -293.4075 760800.5870 12.9386 12.8031 PRESSURE: 4970800 318.835 74.9326 -308.714 74.9336 -211.278 32.2124 -308.715 32.2111 -115.054 GPRESSURE: 4970800 300.357 30.56 -217.994 169.79 -114.049 109.235 -309.812 69.7307 -110.567 PRESSAVG: 4970800 29.4749 -9.28839 8.71415 -9.28844 7.73281 18.426 8.71416 18.4259 -7.36656 GPRESSAVG: 4970800 30.0346 -10.2076 7.69918 -8.1054 7.5284 17.8163 8.47493 17.2807 -7.8206 TIMING: 4970800 CPU: 15756.9, 0.00311708/step Wall: 15756.9, 0.00311708/step, 0.025283 hours remaining, 242.273438 MB of memory in use. ENERGY: 4970800 3951.3904 20588.9363 14419.1201 260.4185 -203758.4267 2803.8404 0.0000 0.0000 52149.2772 -109585.4437 299.7026 -161734.7210 -109237.1592 299.2850 -2.4989 25.2473 760530.0627 9.9471 9.9141 PRESSURE: 4971000 -39.6549 -113.083 117.457 -113.084 -107.336 284.351 117.456 284.352 278.418 GPRESSURE: 4971000 -37.0746 -81.784 52.208 -195.283 -62.9995 252.081 157.685 178.359 315.078 PRESSAVG: 4971000 -36.5867 -0.0852241 -44.4961 -0.0852124 64.1787 68.3339 -44.4961 68.3339 16.02 GPRESSAVG: 4971000 -37.2335 1.33293 -44.8036 -2.44022 63.8416 69.4184 -43.3278 68.9645 17.2714 TIMING: 4971000 CPU: 15757.5, 0.00315141/step Wall: 15757.5, 0.00315141/step, 0.0253864 hours remaining, 242.273438 MB of memory in use. ENERGY: 4971000 3991.4115 20747.9735 14498.9424 220.2805 -203476.5994 2647.3355 0.0000 0.0000 51768.9738 -109601.6821 297.5170 -161370.6559 -109242.5127 299.0469 43.8088 71.6678 760817.3554 14.5373 14.6265 PRESSURE: 4971200 157.04 -85.6657 -96.0702 -85.6655 166.823 -239.797 -96.0704 -239.798 67.8986 GPRESSURE: 4971200 141.824 -16.3778 -30.7489 -59.8859 152.453 -189.163 -19.9438 -256.13 162.791 PRESSAVG: 4971200 12.339 -33.8398 -49.42 -33.8398 3.3582 -9.90725 -49.42 -9.90726 32.0801 GPRESSAVG: 4971200 12.3248 -33.5357 -49.9676 -32.2738 4.86303 -10.1305 -47.9091 -12.2526 30.7354 TIMING: 4971200 CPU: 15758.2, 0.00314586/step Wall: 15758.2, 0.00314586/step, 0.0251669 hours remaining, 242.273438 MB of memory in use. ENERGY: 4971200 3964.3113 20627.6600 14436.9212 247.8209 -203283.8567 2374.6502 0.0000 0.0000 52170.5805 -109461.9128 299.8250 -161632.4933 -109096.1330 299.1434 130.5871 152.3560 759892.4738 15.9258 15.9744 PRESSURE: 4971400 -72.3045 145.267 115.604 145.267 -113.452 -231.326 115.604 -231.326 200.628 GPRESSURE: 4971400 -67.0264 83.6334 -2.42032 122.104 -7.00837 -170.473 99.5375 -134.73 174.885 PRESSAVG: 4971400 -28.3389 -10.7594 54.9907 -10.7595 24.6755 3.04496 54.9907 3.045 -2.05089 GPRESSAVG: 4971400 -29.4052 -12.769 56.6373 -11.4291 24.7627 3.64676 51.1604 5.47229 -1.41471 TIMING: 4971400 CPU: 15758.8, 0.00313969/step Wall: 15758.8, 0.00313969/step, 0.0249431 hours remaining, 242.273438 MB of memory in use. ENERGY: 4971400 4028.7184 20543.1632 14516.3928 240.3861 -203263.6126 2497.2642 0.0000 0.0000 51871.7648 -109565.9230 298.1077 -161437.6878 -109199.7080 299.5043 4.9572 33.6167 761049.9589 -1.9048 -2.0191 PRESSURE: 4971600 -155.042 -8.4684 97.8295 -8.46895 19.6972 92.0816 97.8303 92.0813 291.238 GPRESSURE: 4971600 -85.6904 -87.2888 202.509 -1.67949 105.557 -21.0838 -31.6616 182.085 213.322 PRESSAVG: 4971600 21.0504 -30.7673 -40.3969 -30.7673 -11.7356 50.0864 -40.3969 50.0864 2.37562 GPRESSAVG: 4971600 21.7903 -30.0644 -40.1899 -30.3121 -11.5703 47.8544 -40.4624 50.7088 1.51776 TIMING: 4971600 CPU: 15759.4, 0.00314274/step Wall: 15759.4, 0.00314274/step, 0.0247927 hours remaining, 242.273438 MB of memory in use. ENERGY: 4971600 3986.6192 20569.5415 14498.2919 239.0627 -203600.6889 2754.3309 0.0000 0.0000 52179.8247 -109373.0179 299.8782 -161552.8426 -109004.5539 299.1467 51.9644 77.7295 760184.5974 3.8968 3.9126 PRESSURE: 4971800 -188.838 225.075 -120.249 225.075 -70.0638 36.5747 -120.248 36.5735 -158.011 GPRESSURE: 4971800 -55.1233 124.531 -148.45 202.135 -58.3267 51.7378 -64.5337 -20.9516 -217.724 PRESSAVG: 4971800 -23.0096 -27.2393 0.649443 -27.2393 11.6692 48.1782 0.649517 48.1782 -20.2416 GPRESSAVG: 4971800 -22.5848 -27.9343 0.0363565 -27.9279 10.2181 48.0665 0.212599 48.364 -19.11 TIMING: 4971800 CPU: 15760.1, 0.00312792/step Wall: 15760.1, 0.00312792/step, 0.024502 hours remaining, 242.273438 MB of memory in use. ENERGY: 4971800 4048.1178 20521.8866 14482.4528 236.7405 -203139.8733 2414.8578 0.0000 0.0000 52136.8754 -109298.9424 299.6313 -161435.8178 -108931.9613 299.4460 -138.9709 -110.3912 762483.2056 -10.5273 -10.4922 PRESSURE: 4972000 -456.678 -176.547 287.154 -176.547 -188.665 -92.448 287.155 -92.448 -317.989 GPRESSURE: 4972000 -398.79 -20.2646 234.751 -84.8206 -132.299 -11.4842 238.834 -19.9566 -353.58 PRESSAVG: 4972000 -33.7637 4.3681 42.0596 4.36809 49.199 -2.82739 42.0596 -2.82735 -7.6979 GPRESSAVG: 4972000 -33.4233 5.12614 41.9141 4.53581 50.2016 -1.24339 44.5158 -2.57959 -8.3916 TIMING: 4972000 CPU: 15760.7, 0.00312406/step Wall: 15760.7, 0.00312406/step, 0.0242982 hours remaining, 242.273438 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: 4972000 4008.7161 20492.6628 14418.0582 237.9791 -203553.0633 2674.7540 0.0000 0.0000 52213.0051 -109507.8880 300.0689 -161720.8931 -109147.8552 299.6739 -321.1108 -294.8896 761936.8180 2.5791 2.7956 PRESSURE: 4972200 175.859 -56.0112 54.494 -56.0113 79.9183 -1.49357 54.4945 -1.49334 211.155 GPRESSURE: 4972200 214.029 -44.4327 77.0002 -57.2524 50.8111 36.8442 -27.0517 -145.813 274.886 PRESSAVG: 4972200 -13.9272 -42.5539 28.7725 -42.5539 22.7186 -65.3511 28.7725 -65.3512 3.01377 GPRESSAVG: 4972200 -12.5925 -43.546 28.9042 -40.6932 22.1031 -66.0687 25.8647 -67.6076 2.20239 TIMING: 4972200 CPU: 15761.3, 0.00312167/step Wall: 15761.3, 0.00312167/step, 0.0241062 hours remaining, 242.273438 MB of memory in use. ENERGY: 4972200 4010.3388 20381.7404 14452.5129 256.3984 -203398.3517 2618.1745 0.0000 0.0000 52214.4052 -109464.7816 300.0769 -161679.1868 -109094.3758 299.1129 155.6440 179.9087 761423.4140 3.9350 3.9043 LDB: ============= START OF LOAD BALANCING ============== 15773.8 LDB: ============== END OF LOAD BALANCING =============== 15773.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15773.8 LDB: ============= START OF LOAD BALANCING ============== 15774.1 LDB: Largest compute 7075 load 0.032106 is 16.4% of average load 0.195793 LDB: Average compute 0.004374 is 2.2% of average load 0.195793 LDB: TIME 15774.1 LOAD: AVG 0.195793 MAX 0.218465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.785 MB LDB: TIME 15774.1 LOAD: AVG 0.195793 MAX 0.218465 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.785 MB LDB: TIME 15774.1 LOAD: AVG 0.195793 MAX 0.218465 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 240.785 MB LDB: ============== END OF LOAD BALANCING =============== 15774.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15774.1 PRESSURE: 4972400 -193.041 -235.485 -166.003 -235.484 -125.935 -168.518 -166.003 -168.518 170.421 GPRESSURE: 4972400 -232.159 -289.661 -125.671 -98.0096 -21.5914 -192.154 -17.079 -220.215 199.504 PRESSAVG: 4972400 -26.2958 -30.3707 15.5209 -30.3707 -4.07669 -37.8189 15.521 -37.8189 -1.96082 GPRESSAVG: 4972400 -28.7071 -29.7317 13.2165 -30.563 -2.08473 -36.0703 18.032 -37.7723 -1.45826 TIMING: 4972400 CPU: 15762, 0.00320119/step Wall: 15762, 0.00320119/step, 0.0245425 hours remaining, 239.312500 MB of memory in use. ENERGY: 4972400 3963.5870 20631.3322 14547.4388 238.7301 -203148.3410 2380.9776 0.0000 0.0000 51830.0586 -109556.2166 297.8681 -161386.2753 -109204.3958 299.3843 -49.5181 -18.0821 762229.2425 -10.7778 -10.7500 PRESSURE: 4972600 -115.701 -148.299 -24.4452 -148.3 -312.44 29.8049 -24.4451 29.8044 264.256 GPRESSURE: 4972600 -98.5496 -92.2962 -82.8587 -156.789 -270.928 -33.2151 101.56 -11.0738 267.306 PRESSAVG: 4972600 16.2548 -66.0796 -12.232 -66.0796 0.404791 -30.5773 -12.2321 -30.5773 12.8111 GPRESSAVG: 4972600 17.3106 -66.242 -10.387 -67.2239 -0.965642 -32.698 -12.0315 -28.9209 13.1 TIMING: 4972600 CPU: 15762.6, 0.00311722/step Wall: 15762.6, 0.00311722/step, 0.0237255 hours remaining, 239.515625 MB of memory in use. ENERGY: 4972600 4016.5270 20555.8499 14487.4704 252.3875 -203590.9786 2683.7639 0.0000 0.0000 52004.5419 -109590.4381 298.8708 -161594.9800 -109235.5025 299.0344 -54.6285 -34.0571 761165.3637 9.8236 9.8150 PRESSURE: 4972800 -250.607 -138.973 -233.047 -138.973 -0.467513 33.5417 -233.047 33.5429 -234.791 GPRESSURE: 4972800 -208.445 -114.858 -200.882 -124.042 57.3534 -23.9501 -330.548 10.0258 -263.647 PRESSAVG: 4972800 7.17093 -58.2184 -17.1029 -58.2183 -0.089906 -1.02172 -17.103 -1.02175 -13.8515 GPRESSAVG: 4972800 6.10893 -57.7454 -16.8384 -58.0491 0.503475 0.249399 -18.4431 -2.23061 -13.5738 TIMING: 4972800 CPU: 15763.2, 0.0031246/step Wall: 15763.2, 0.0031246/step, 0.0236081 hours remaining, 239.515625 MB of memory in use. ENERGY: 4972800 4047.9944 20476.0846 14406.6450 254.8584 -203333.6789 2404.6160 0.0000 0.0000 52102.1046 -109641.3759 299.4315 -161743.4805 -109279.1404 299.6897 -161.9552 -138.2464 760636.0299 -2.2568 -2.3205 PRESSURE: 4973000 -122.781 -147.465 -95.1042 -147.465 -285.802 57.0853 -95.104 57.0849 -339.073 GPRESSURE: 4973000 -191.94 -4.25284 -112.802 -10.5647 -209.184 -69.9161 -16.8517 83.7899 -265.678 PRESSAVG: 4973000 -41.2693 -13.7474 10.3343 -13.7474 43.3998 60.8008 10.3342 60.8008 25.5234 GPRESSAVG: 4973000 -41.261 -12.1493 9.3887 -13.2801 44.1158 59.786 11.9113 60.8686 25.206 TIMING: 4973000 CPU: 15763.8, 0.00313252/step Wall: 15763.8, 0.00313252/step, 0.0234939 hours remaining, 239.515625 MB of memory in use. ENERGY: 4973000 3948.9089 20541.0652 14460.0762 247.8810 -202919.4732 2428.8959 0.0000 0.0000 51785.3108 -109507.3351 297.6109 -161292.6459 -109142.8601 299.0202 -249.2185 -222.2672 760764.7931 9.2180 9.3536 PRESSURE: 4973200 -59.4976 12.5758 219.704 12.5764 249.513 88.626 219.703 88.6257 -158.631 GPRESSURE: 4973200 -17.0955 11.0499 239.235 -55.6244 297.422 78.4049 124.897 115.026 -172.734 PRESSAVG: 4973200 14.5753 23.2186 -2.80346 23.2185 16.445 71.2317 -2.80351 71.2318 17.0416 GPRESSAVG: 4973200 15.6688 21.1699 -3.32737 23.3173 16.4063 72.9944 -2.57809 71.777 16.1883 TIMING: 4973200 CPU: 15764.5, 0.00314194/step Wall: 15764.5, 0.00314194/step, 0.02339 hours remaining, 239.515625 MB of memory in use. ENERGY: 4973200 4019.9675 20481.1070 14373.1557 247.0166 -203431.2332 2541.1558 0.0000 0.0000 52164.2086 -109604.6221 299.7884 -161768.8307 -109244.9307 299.2395 10.4613 35.8643 760940.4967 16.0206 16.0878 PRESSURE: 4973400 -220.559 -143.305 48.2527 -143.305 62.9971 151.391 48.2533 151.392 62.1681 GPRESSURE: 4973400 -153.83 -96.6865 61.2751 -187.164 87.4142 120.364 151.364 89.2331 66.3568 PRESSAVG: 4973400 48.9294 -19.4397 24.9415 -19.4397 -37.07 4.10961 24.9414 4.10961 -0.929531 GPRESSAVG: 4973400 48.8576 -18.4442 27.8195 -20.5517 -36.9625 3.05349 24.0291 3.2302 -0.607565 TIMING: 4973400 CPU: 15765.1, 0.00313397/step Wall: 15765.1, 0.00313397/step, 0.0231565 hours remaining, 239.515625 MB of memory in use. ENERGY: 4973400 3996.8485 20453.5419 14522.0478 250.1924 -203517.7381 2707.6046 0.0000 0.0000 51925.1041 -109662.3986 298.4143 -161587.5027 -109310.4760 298.9801 -31.7980 -0.0196 761366.7536 3.6433 3.7625 PRESSURE: 4973600 -242.59 176.24 90.184 176.24 -595.401 -202.017 90.1834 -202.018 -336.63 GPRESSURE: 4973600 -114.569 93.2853 49.9567 109.188 -638.048 -130.661 -57.3758 -110.426 -334.795 PRESSAVG: 4973600 40.2024 -28.7684 19.0274 -28.7685 -18.8375 9.76138 19.0274 9.76138 13.349 GPRESSAVG: 4973600 40.8746 -29.7235 17.7191 -29.1568 -18.4187 8.9284 19.006 13.3707 12.0001 TIMING: 4973600 CPU: 15765.7, 0.00311175/step Wall: 15765.7, 0.00311175/step, 0.0228195 hours remaining, 239.515625 MB of memory in use. ENERGY: 4973600 4013.6775 20483.3797 14487.5828 253.7906 -203143.3207 2424.2196 0.0000 0.0000 51837.9811 -109642.6894 297.9136 -161480.6705 -109277.2981 298.7350 -391.5404 -362.4704 762270.4875 11.5713 11.4853 PRESSURE: 4973800 203.084 -205.417 154.716 -205.418 127.053 149.931 154.715 149.93 -167.29 GPRESSURE: 4973800 221.056 -213.668 82.4141 -128.605 103.98 195.02 151.285 110.599 -80.5244 PRESSAVG: 4973800 -10.3704 -24.5983 69.082 -24.5983 7.26964 16.9061 69.082 16.9061 -16.0207 GPRESSAVG: 4973800 -9.96546 -24.1971 68.4761 -23.3028 6.20655 16.9477 67.3915 14.9841 -16.0676 TIMING: 4973800 CPU: 15766.3, 0.00311258/step Wall: 15766.3, 0.00311258/step, 0.0226527 hours remaining, 239.515625 MB of memory in use. ENERGY: 4973800 4003.9031 20628.8615 14419.8074 237.0433 -203465.8319 2685.1030 0.0000 0.0000 51879.7806 -109611.3331 298.1538 -161491.1137 -109255.5254 299.0407 54.2821 81.5038 762490.7843 -6.3738 -6.6088 PRESSURE: 4974000 -135.965 -153.308 -0.165097 -153.308 -223.021 9.90173 -0.165851 9.90184 -426.997 GPRESSURE: 4974000 -194.159 -159.931 -70.7027 -128.171 -131.351 -7.75122 83.6576 125.906 -378.747 PRESSAVG: 4974000 10.2312 -26.1846 -12.4899 -26.1846 15.1322 20.9933 -12.4899 20.9933 -10.0266 GPRESSAVG: 4974000 9.19807 -25.1735 -12.2413 -27.6631 14.4657 20.7868 -10.9097 21.3456 -7.53279 TIMING: 4974000 CPU: 15767, 0.00312937/step Wall: 15767, 0.00312937/step, 0.022601 hours remaining, 239.515625 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: 4974000 3989.6685 20614.6313 14455.9460 249.6812 -203620.4816 2499.4258 0.0000 0.0000 52077.5533 -109733.5756 299.2904 -161811.1289 -109364.7874 298.8386 -261.9944 -234.7524 761113.9239 5.1123 5.3770 PRESSURE: 4974200 -90.0358 129.788 -187.818 129.788 317.024 19.9489 -187.819 19.9482 -110.422 GPRESSURE: 4974200 40.6349 65.45 -170.929 186.423 245.624 -82.9832 -170.768 27.9485 -96.9868 PRESSAVG: 4974200 24.3421 -30.1416 6.88252 -30.1416 28.2675 -28.4392 6.88257 -28.4393 -9.99596 GPRESSAVG: 4974200 24.386 -31.8337 6.74099 -30.3105 28.7168 -28.7232 8.70311 -28.7041 -10.6134 TIMING: 4974200 CPU: 15767.6, 0.00313975/step Wall: 15767.6, 0.00313975/step, 0.0225015 hours remaining, 239.515625 MB of memory in use. ENERGY: 4974200 3934.6555 20350.0927 14474.9020 238.0401 -203451.2079 2511.1200 0.0000 0.0000 52048.3332 -109894.0644 299.1225 -161942.3975 -109524.7289 298.6508 38.8556 63.0907 761133.4013 14.2045 14.1631 PRESSURE: 4974400 249.368 79.0745 -92.4684 79.0733 298.511 97.3519 -92.4689 97.3514 154.493 GPRESSURE: 4974400 249.366 12.4028 -52.3998 65.4548 290.684 40.8238 -112.072 -96.8438 259.379 PRESSAVG: 4974400 -13.8411 -25.9647 -10.6954 -25.9647 -1.6751 -16.3334 -10.6955 -16.3335 22.7741 GPRESSAVG: 4974400 -12.7013 -25.6914 -10.8274 -23.2801 -1.95862 -16.2699 -11.4481 -18.2386 22.0913 TIMING: 4974400 CPU: 15768.2, 0.0031456/step Wall: 15768.2, 0.0031456/step, 0.0223687 hours remaining, 239.515625 MB of memory in use. ENERGY: 4974400 3968.9669 20506.7247 14464.5550 247.4045 -203481.7038 2556.1213 0.0000 0.0000 51826.4910 -109911.4404 297.8476 -161737.9314 -109557.4729 298.6511 234.1241 266.4765 759387.8430 2.4193 2.4771 PRESSURE: 4974600 -256.303 -71.0073 -216.668 -71.0081 -82.7375 -79.9226 -216.67 -79.9232 -258.649 GPRESSURE: 4974600 -327.337 -37.4651 -216.399 -150.028 -44.9228 -84.431 -304.181 -137.367 -150.092 PRESSAVG: 4974600 40.5841 -62.3634 -48.0385 -62.3634 3.12205 -5.29526 -48.0385 -5.29522 31.3145 GPRESSAVG: 4974600 38.7862 -61.9891 -46.8264 -63.557 3.16062 -4.81382 -47.4361 -5.17987 32.5079 TIMING: 4974600 CPU: 15768.8, 0.00311338/step Wall: 15768.8, 0.00311338/step, 0.0219666 hours remaining, 239.515625 MB of memory in use. ENERGY: 4974600 3999.7453 20534.9377 14464.3273 242.5617 -203481.9723 2632.4983 0.0000 0.0000 51729.6509 -109878.2512 297.2910 -161607.9021 -109523.7552 298.2389 -199.2298 -174.1173 760112.2770 25.0069 24.8182 PRESSURE: 4974800 56.5066 -66.7854 78.3601 -66.7861 76.929 -143.903 78.3598 -143.904 222.465 GPRESSURE: 4974800 163.447 84.5336 86.6837 -119.367 85.2083 8.13322 145.827 -87.1995 194.926 PRESSAVG: 4974800 45.3234 -71.4493 33.2233 -71.4493 7.5932 -41.1714 33.2233 -41.1715 4.10069 GPRESSAVG: 4974800 45.3478 -70.1226 32.5104 -73.5822 7.64834 -40.2774 31.0334 -40.9468 4.37011 TIMING: 4974800 CPU: 15769.5, 0.0031382/step Wall: 15769.5, 0.0031382/step, 0.0219674 hours remaining, 239.515625 MB of memory in use. ENERGY: 4974800 3997.8348 20478.2710 14392.7033 251.3043 -204033.3371 3083.0388 0.0000 0.0000 51988.7893 -109841.3956 298.7803 -161830.1849 -109475.2940 299.0717 118.6337 147.8603 760777.8258 19.0058 19.1221 PRESSURE: 4975000 -150.03 -19.771 82.5542 -19.7732 -45.7188 33.1783 82.5536 33.1779 219.536 GPRESSURE: 4975000 -172.825 -8.8148 80.3638 9.80016 11.7858 39.109 157.405 -41.4479 261.665 PRESSAVG: 4975000 14.8311 -25.1956 19.6565 -25.1957 16.8103 -43.9056 19.6565 -43.9056 11.2141 GPRESSAVG: 4975000 15.1838 -26.6891 21.2087 -25.2505 17.4582 -45.2877 21.1461 -41.7331 10.0089 TIMING: 4975000 CPU: 15770.1, 0.00315347/step Wall: 15770.1, 0.00315347/step, 0.0218991 hours remaining, 239.515625 MB of memory in use. ENERGY: 4975000 3969.3062 20520.6308 14429.9865 276.8450 -203707.3819 2920.8187 0.0000 0.0000 51633.0769 -109956.7177 296.7360 -161589.7946 -109602.0448 298.7956 7.9289 33.5418 761528.4792 14.2852 14.2170 PRESSURE: 4975200 -40.3338 38.7534 86.5517 38.7538 122.204 270.548 86.552 270.547 199.675 GPRESSURE: 4975200 20.3677 28.1465 -6.41344 -4.18765 162.333 199.05 27.0425 306.29 201.668 PRESSAVG: 4975200 36.1099 -26.0406 13.1124 -26.0406 -10.6018 12.6205 13.1123 12.6204 -12.5999 GPRESSAVG: 4975200 36.1627 -27.9738 11.5101 -21.7517 -11.0047 13.3905 11.3174 12.2519 -12.2252 TIMING: 4975200 CPU: 15770.7, 0.00315299/step Wall: 15770.7, 0.00315299/step, 0.0217206 hours remaining, 239.515625 MB of memory in use. ENERGY: 4975200 3953.7245 20456.9001 14481.1619 246.3175 -204059.1222 2949.0181 0.0000 0.0000 52147.9318 -109824.0684 299.6949 -161972.0001 -109448.3443 298.8537 93.8483 128.1231 759709.8771 4.3028 4.3109 PRESSURE: 4975400 8.11101 -256.706 194.127 -256.706 -401.166 -59.1598 194.127 -59.1594 -192.198 GPRESSURE: 4975400 -79.3141 -191.116 160.1 -280.573 -250.897 10.7305 117.234 -73.5622 -178.016 PRESSAVG: 4975400 -29.9374 -47.8459 -3.23388 -47.8459 -3.15193 14.1495 -3.23388 14.1495 -13.513 GPRESSAVG: 4975400 -29.9441 -44.3445 -2.12789 -51.9227 -2.96444 16.2522 -3.62374 12.4309 -13.8269 TIMING: 4975400 CPU: 15771.3, 0.0031447/step Wall: 15771.3, 0.0031447/step, 0.0214888 hours remaining, 239.515625 MB of memory in use. ENERGY: 4975400 3976.6041 20463.9612 14514.7557 241.5106 -203766.3184 2598.8366 0.0000 0.0000 52285.2088 -109685.4413 300.4838 -161970.6501 -109323.8711 298.8715 -195.0846 -169.4090 761047.0493 -15.5341 -15.5785 PRESSURE: 4975600 31.4323 35.7331 -21.2979 35.7328 101.901 -36.4508 -21.298 -36.4501 -117.994 GPRESSURE: 4975600 81.3515 34.3718 -116.093 74.4008 138.213 -88.7377 18.2318 10.3141 -114.908 PRESSAVG: 4975600 42.3002 -23.6964 30.6586 -23.6964 -13.2507 21.6873 30.6586 21.6874 7.63378 GPRESSAVG: 4975600 42.1198 -25.4498 30.0063 -22.6889 -13.2211 18.6662 32.5464 21.8565 7.94504 TIMING: 4975600 CPU: 15772, 0.00313966/step Wall: 15772, 0.00313966/step, 0.0212799 hours remaining, 239.515625 MB of memory in use. ENERGY: 4975600 3903.0363 20521.9826 14512.6991 247.4416 -203572.2413 2649.2758 0.0000 0.0000 51888.8703 -109848.9356 298.2061 -161737.8059 -109493.7807 298.9417 5.1129 34.8853 761107.9867 12.2278 12.2813 PRESSURE: 4975800 -6.58891 21.1713 193.371 21.1723 342.192 -18.7538 193.372 -18.7535 -132.999 GPRESSURE: 4975800 68.2787 11.7428 185.243 -57.6075 356.221 -34.5519 238.642 93.7975 -141.062 PRESSAVG: 4975800 17.6568 10.6736 34.957 10.6736 13.4546 20.3485 34.9569 20.3486 10.9777 GPRESSAVG: 4975800 18.0295 10.9302 33.1008 11.6556 13.7595 20.9059 36.3962 21.8518 9.95239 TIMING: 4975800 CPU: 15772.6, 0.00314815/step Wall: 15772.6, 0.00314815/step, 0.0211626 hours remaining, 239.515625 MB of memory in use. ENERGY: 4975800 4031.9360 20292.3134 14503.2567 257.6212 -203809.2822 2891.7365 0.0000 0.0000 52110.9094 -109721.5091 299.4821 -161832.4185 -109348.2350 299.2606 67.5345 94.4791 761137.2499 14.0297 13.9138 PRESSURE: 4976000 376.684 -47.714 120.108 -47.7149 -289.72 -0.367003 120.107 -0.367451 -165.12 GPRESSURE: 4976000 372.154 30.9399 235.799 -47.5024 -224.463 45.5164 16.2405 -14.1432 -142.149 PRESSAVG: 4976000 -10.3456 -7.91383 40.4059 -7.91377 28.6041 -15.9407 40.406 -15.9406 -7.21591 GPRESSAVG: 4976000 -11.6027 -6.69081 41.7267 -7.98392 29.4583 -14.6452 41.7172 -17.4132 -6.73378 TIMING: 4976000 CPU: 15773.2, 0.00315252/step Wall: 15773.2, 0.00315252/step, 0.0210168 hours remaining, 239.515625 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: 4976000 4036.9760 20602.8256 14446.4664 236.1511 -203671.5430 2504.6828 0.0000 0.0000 52156.2634 -109688.1778 299.7428 -161844.4412 -109323.3143 298.6420 -26.0519 1.8472 761997.1131 3.6809 3.7073 PRESSURE: 4976200 -232.022 -152.649 299.624 -152.649 -415.364 207.236 299.624 207.237 -292.492 GPRESSURE: 4976200 -210.102 -329.76 382.032 -32.242 -362.942 244.783 176.002 185.855 -263.722 PRESSAVG: 4976200 -11.5065 -9.46175 -6.5352 -9.46184 41.0071 -69.7905 -6.53516 -69.7906 -11.6396 GPRESSAVG: 4976200 -10.2132 -9.70845 -5.56146 -9.4012 39.2676 -71.1578 -9.41496 -68.7621 -11.3369 TIMING: 4976200 CPU: 15773.9, 0.00316983/step Wall: 15773.9, 0.00316983/step, 0.0209561 hours remaining, 239.515625 MB of memory in use. ENERGY: 4976200 4018.2865 20546.5155 14553.2159 243.3215 -203433.4195 2219.8532 0.0000 0.0000 52146.0009 -109706.2260 299.6838 -161852.2268 -109339.7097 298.9790 -313.2927 -278.9220 760797.9208 5.9537 5.9058 LDB: ============= START OF LOAD BALANCING ============== 15786.3 LDB: ============== END OF LOAD BALANCING =============== 15786.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15786.3 LDB: ============= START OF LOAD BALANCING ============== 15786.6 LDB: Largest compute 7025 load 0.034793 is 17.8% of average load 0.195483 LDB: Average compute 0.004364 is 2.2% of average load 0.195483 LDB: TIME 15786.6 LOAD: AVG 0.195483 MAX 0.217693 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.879 MB LDB: TIME 15786.6 LOAD: AVG 0.195483 MAX 0.217693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.879 MB LDB: TIME 15786.6 LOAD: AVG 0.195483 MAX 0.217693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.879 MB LDB: ============== END OF LOAD BALANCING =============== 15786.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15786.7 PRESSURE: 4976400 353.859 -75.6626 -145.597 -75.6625 -20.5324 -168.173 -145.597 -168.173 96.0154 GPRESSURE: 4976400 376.498 3.57633 -129.632 -53.1039 82.8365 -233.54 -82.4133 -218.207 40.025 PRESSAVG: 4976400 13.6762 -22.0014 -32.3094 -22.0013 22.1969 -39.4245 -32.3094 -39.4245 8.19667 GPRESSAVG: 4976400 13.5988 -20.507 -32.8563 -23.9992 22.3747 -38.9341 -32.6461 -39.5453 7.79483 TIMING: 4976400 CPU: 15774.5, 0.00322677/step Wall: 15774.5, 0.00322677/step, 0.0211533 hours remaining, 241.378906 MB of memory in use. ENERGY: 4976400 3957.5469 20329.2148 14590.1537 235.5699 -204009.7762 2782.9435 0.0000 0.0000 52317.0987 -109797.2487 300.6671 -162114.3475 -109421.7614 299.0487 143.1140 166.4532 759723.7626 14.6899 14.5894 PRESSURE: 4976600 -325.129 -40.3482 -45.28 -40.3483 -21.798 200.668 -45.2802 200.668 -275.693 GPRESSURE: 4976600 -225.608 -10.9463 53.815 -41.7517 -98.0637 133.253 29.9981 118.943 -212.356 PRESSAVG: 4976600 -34.9892 -72.4839 -1.46443 -72.484 65.51 23.1975 -1.46449 23.1975 15.7859 GPRESSAVG: 4976600 -36.4504 -75.0799 -2.3045 -70.6947 65.9851 21.9072 -0.730341 22.0774 16.6645 TIMING: 4976600 CPU: 15775.1, 0.00314814/step Wall: 15775.1, 0.00314814/step, 0.0204629 hours remaining, 241.378906 MB of memory in use. ENERGY: 4976600 4080.6686 20642.8609 14463.7736 244.5242 -203836.8262 2585.5183 0.0000 0.0000 52179.7893 -109639.6912 299.8780 -161819.4805 -109272.1831 299.3909 -207.5402 -178.6757 761884.4927 15.4356 15.3997 PRESSURE: 4976800 26.8676 -181.498 -58.9074 -181.498 -212.787 94.2187 -58.9079 94.2185 101.996 GPRESSURE: 4976800 134.804 -234.756 -101.838 -196.559 -172.522 72.1294 -0.226377 58.0795 43.5351 PRESSAVG: 4976800 0.234666 -23.5345 -3.99944 -23.5344 -16.8117 -24.2338 -3.99942 -24.2339 12.7624 GPRESSAVG: 4976800 1.56644 -20.4876 -4.62565 -24.5941 -17.4067 -23.3376 -0.963239 -25.6702 11.7846 TIMING: 4976800 CPU: 15775.8, 0.00312114/step Wall: 15775.8, 0.00312114/step, 0.020114 hours remaining, 241.378906 MB of memory in use. ENERGY: 4976800 3998.0080 20742.5297 14477.4904 253.4023 -203729.8538 2499.1875 0.0000 0.0000 52200.5253 -109558.7108 299.9971 -161759.2361 -109194.4728 299.7177 -27.9745 1.9389 759830.7206 -1.2716 -1.3519 PRESSURE: 4977000 -442.19 41.3817 88.8332 41.3818 -24.3467 -126.328 88.8331 -126.328 -115.129 GPRESSURE: 4977000 -395.52 -30.1563 91.3087 44.5365 -1.87022 -123.556 78.5272 -37.1998 -82.3083 PRESSAVG: 4977000 -1.77646 -34.0825 -5.09679 -34.0825 -24.6913 36.0515 -5.09672 36.0516 -1.47414 GPRESSAVG: 4977000 -2.49216 -36.3232 -4.07874 -34.948 -23.6587 36.1323 -9.19969 38.9268 -1.44033 TIMING: 4977000 CPU: 15776.4, 0.00313014/step Wall: 15776.4, 0.00313014/step, 0.0199981 hours remaining, 241.378906 MB of memory in use. ENERGY: 4977000 4017.3153 20541.4282 14415.9711 252.4544 -203480.5026 2574.2807 0.0000 0.0000 52109.1313 -109569.9217 299.4719 -161679.0530 -109200.7355 299.3132 -193.8886 -159.8996 760212.2068 -9.3140 -9.1971 PRESSURE: 4977200 10.0362 18.464 277.868 18.4628 -81.5609 -110.725 277.868 -110.725 -97.0892 GPRESSURE: 4977200 -44.7929 -1.65283 236.032 -51.6626 18.6586 12.6267 297.129 22.7747 -65.8007 PRESSAVG: 4977200 -5.92754 -31.9016 4.85227 -31.9015 -20.1948 -16.5109 4.8523 -16.5109 19.1997 GPRESSAVG: 4977200 -5.72742 -32.7744 3.60973 -30.0622 -21.0963 -17.1767 5.95142 -14.6572 19.928 TIMING: 4977200 CPU: 15777, 0.00313125/step Wall: 15777, 0.00313125/step, 0.0198313 hours remaining, 241.378906 MB of memory in use. ENERGY: 4977200 3946.1978 20619.0990 14425.4708 254.8817 -203448.6547 2446.1745 0.0000 0.0000 52266.5449 -109490.2860 300.3766 -161756.8309 -109126.1470 299.3108 -56.2047 -30.6450 760010.4967 -2.3075 -2.2986 PRESSURE: 4977400 -187.708 -116.849 286.543 -116.848 137.948 49.5877 286.544 49.5869 314.61 GPRESSURE: 4977400 -73.7163 -163.796 324.676 -31.408 184.908 52.2341 182.849 -6.71782 248.644 PRESSAVG: 4977400 6.66357 -113.531 42.9638 -113.531 8.00475 12.3567 42.9638 12.3566 25.3361 GPRESSAVG: 4977400 7.03589 -112.046 42.7569 -111.857 8.19942 12.6146 43.0022 11.0966 24.4847 TIMING: 4977400 CPU: 15777.7, 0.00314151/step Wall: 15777.7, 0.00314151/step, 0.0197217 hours remaining, 241.378906 MB of memory in use. ENERGY: 4977400 4017.2169 20692.0260 14431.2669 253.7367 -203711.0367 2812.5862 0.0000 0.0000 52147.4855 -109356.7186 299.6923 -161504.2040 -109001.6655 299.7545 88.2834 119.9452 758497.3372 13.3348 13.2400 PRESSURE: 4977600 194.481 -33.356 25.3191 -33.3571 -161.892 69.3095 25.3189 69.3089 -276.988 GPRESSURE: 4977600 191.595 37.0988 19.6196 -47.8131 -127.893 -2.4622 -38.9658 28.6449 -216.726 PRESSAVG: 4977600 6.94865 -33.8402 22.8162 -33.8402 -4.32556 38.6647 22.8162 38.6647 -12.5096 GPRESSAVG: 4977600 6.08427 -32.3561 25.6531 -38.3797 -3.82306 37.6032 20.1979 36.1049 -11.9858 TIMING: 4977600 CPU: 15778.3, 0.00312476/step Wall: 15778.3, 0.00312476/step, 0.019443 hours remaining, 241.378906 MB of memory in use. ENERGY: 4977600 3994.8013 20573.8731 14429.7918 242.9707 -203593.3988 2772.7325 0.0000 0.0000 52299.2500 -109279.9793 300.5645 -161579.2293 -108917.2914 299.8411 -81.4664 -51.0080 760296.9290 -3.2955 -3.2415 PRESSURE: 4977800 -96.2319 50.0261 77.9562 50.0255 -5.82467 238.367 77.9565 238.367 417.099 GPRESSURE: 4977800 -1.88423 109.789 0.357568 63.8895 72.0342 295.008 77.0572 185.18 323.448 PRESSAVG: 4977800 40.4748 -25.3628 -18.6892 -25.3629 16.4825 -16.125 -18.6892 -16.125 24.2912 GPRESSAVG: 4977800 40.3297 -27.4316 -20.8594 -21.1223 16.9266 -14.4616 -15.4626 -14.204 24.0833 TIMING: 4977800 CPU: 15778.9, 0.00313926/step Wall: 15778.9, 0.00313926/step, 0.0193588 hours remaining, 241.378906 MB of memory in use. ENERGY: 4977800 4017.0249 20597.8328 14478.1936 257.0319 -203508.4444 2822.8467 0.0000 0.0000 52372.4180 -108963.0966 300.9850 -161335.5146 -108597.1821 300.9086 105.0143 131.1993 760419.4430 27.0828 27.1132 PRESSURE: 4978000 67.1808 16.153 146.42 16.154 -75.4199 188.99 146.42 188.99 401.9 GPRESSURE: 4978000 65.5202 0.139711 78.9325 11.3892 8.83536 158.238 128.718 259.028 392.189 PRESSAVG: 4978000 -31.6125 -7.44338 49.0415 -7.44339 -10.3668 32.0046 49.0415 32.0046 -0.128962 GPRESSAVG: 4978000 -32.231 -6.57102 48.8687 -9.63922 -10.444 29.5683 46.8013 32.7049 0.183937 TIMING: 4978000 CPU: 15779.5, 0.00312545/step Wall: 15779.5, 0.00312544/step, 0.0190999 hours remaining, 241.378906 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: 4978000 3958.6370 20684.2500 14512.1270 252.7216 -203030.6755 2514.2113 0.0000 0.0000 52220.3688 -108888.3598 300.1112 -161108.7285 -108518.9850 300.5455 131.2204 155.5150 762414.7453 -14.0361 -14.1637 PRESSURE: 4978200 -145.209 117.651 25.4029 117.65 -143.147 98.1324 25.4018 98.1322 -197.686 GPRESSURE: 4978200 -135.863 215.462 1.53538 163.94 -138.194 33.2231 133.628 101.281 -112.958 PRESSAVG: 4978200 15.7794 2.89655 51.5215 2.89652 -0.217266 2.20344 51.5214 2.20352 -10.9858 GPRESSAVG: 4978200 15.9768 2.26763 52.2183 3.37118 -1.978 2.84203 53.9787 1.40697 -10.0291 TIMING: 4978200 CPU: 15780.2, 0.00312748/step Wall: 15780.2, 0.00312748/step, 0.0189386 hours remaining, 241.378906 MB of memory in use. ENERGY: 4978200 3965.5516 20695.5871 14452.7418 244.8706 -203185.7149 2455.9100 0.0000 0.0000 52462.5560 -108908.4979 301.5030 -161371.0539 -108555.7777 301.0677 -162.0144 -129.0049 761322.5400 1.5254 1.3233 PRESSURE: 4978400 -249.325 74.4476 21.4427 74.4485 -222.556 -79.1868 21.4428 -79.1865 183.414 GPRESSURE: 4978400 -245.826 53.9703 130.96 122.861 -148.819 14.5879 77.9681 -32.9669 204.685 PRESSAVG: 4978400 -2.55391 17.0025 24.9339 17.0025 21.8095 -13.7166 24.934 -13.7165 -6.02504 GPRESSAVG: 4978400 -1.5269 17.0385 25.9862 16.8718 21.7554 -13.1816 23.834 -14.5851 -6.75018 TIMING: 4978400 CPU: 15780.8, 0.00312433/step Wall: 15780.8, 0.00312433/step, 0.018746 hours remaining, 241.378906 MB of memory in use. ENERGY: 4978400 4002.2596 20685.6603 14401.8158 256.9031 -203082.6573 2429.0199 0.0000 0.0000 52310.6015 -108996.3970 300.6297 -161306.9985 -108630.1340 300.6107 -96.1555 -63.3201 762564.4542 4.4102 4.4928 PRESSURE: 4978600 -168.564 -92.9024 129.659 -92.9036 131.264 -309.973 129.659 -309.974 146.282 GPRESSURE: 4978600 -144.963 -64.4151 137.867 -183.648 172.241 -309.408 9.74281 -268.461 179.06 PRESSAVG: 4978600 -43.7107 33.3646 27.1011 33.3646 99.4054 -5.28998 27.1011 -5.28994 -8.55028 GPRESSAVG: 4978600 -44.6364 31.7004 26.5549 35.4457 100.709 -6.59215 24.9902 -4.26406 -9.04308 TIMING: 4978600 CPU: 15781.4, 0.00312708/step Wall: 15781.4, 0.00312708/step, 0.0185887 hours remaining, 241.378906 MB of memory in use. ENERGY: 4978600 4018.5331 20613.5434 14495.1639 244.7949 -203143.2032 2514.3391 0.0000 0.0000 52196.3808 -109060.4481 299.9733 -161256.8288 -108699.3591 301.0552 36.3270 68.7795 761598.4303 15.7148 15.6763 PRESSURE: 4978800 154.021 40.2651 -22.2311 40.2653 -155.29 52.0849 -22.2313 52.0851 -13.4542 GPRESSURE: 4978800 168.339 39.9787 -86.241 6.80026 -135.084 111.057 -70.8549 44.6618 27.0622 PRESSAVG: 4978800 23.1402 19.8034 -37.4128 19.8034 23.3248 29.5599 -37.4128 29.5599 2.83123 GPRESSAVG: 4978800 23.7298 21.0494 -36.8234 16.9174 22.9398 30.9737 -36.5277 28.4065 1.92722 TIMING: 4978800 CPU: 15782, 0.00311682/step Wall: 15782, 0.00311682/step, 0.0183546 hours remaining, 241.378906 MB of memory in use. ENERGY: 4978800 4057.8362 20600.5574 14432.7141 253.9542 -203799.5263 2966.3462 0.0000 0.0000 52335.4923 -109152.6259 300.7728 -161488.1182 -108770.8192 300.2854 -4.9079 20.1056 760812.6949 16.4321 16.1989 PRESSURE: 4979000 274.751 -134.858 118.121 -134.858 -376.755 441.094 118.122 441.094 -84.473 GPRESSURE: 4979000 270.415 -65.3043 145.73 -62.9101 -281.65 398.598 48.8492 345.279 -83.4028 PRESSAVG: 4979000 9.52293 21.3877 -24.9492 21.3878 5.67961 48.0843 -24.9492 48.0843 11.1892 GPRESSAVG: 4979000 9.59567 21.7429 -24.4269 23.9792 5.42981 47.5528 -25.7158 48.6654 11.3195 TIMING: 4979000 CPU: 15782.7, 0.00312734/step Wall: 15782.7, 0.00312734/step, 0.0182428 hours remaining, 241.378906 MB of memory in use. ENERGY: 4979000 3977.3248 20709.6108 14401.2895 260.2452 -203374.3376 2538.3391 0.0000 0.0000 52269.6037 -109217.9244 300.3941 -161487.5281 -108846.9865 300.3310 -62.1591 -31.5459 760318.3673 8.7972 8.7817 PRESSURE: 4979200 -225.43 51.5671 -74.9786 51.567 50.2581 -65.1855 -74.9791 -65.1864 61.7177 GPRESSURE: 4979200 -140.01 67.2966 -57.2398 -92.9856 -45.7057 -114.398 -50.869 65.2584 168.748 PRESSAVG: 4979200 -21.5141 -35.7304 -18.3173 -35.7304 3.31439 83.9395 -18.3174 83.9395 -29.0567 GPRESSAVG: 4979200 -21.6693 -35.9672 -18.6156 -38.7648 3.01794 83.5068 -19.0055 82.967 -28.4238 TIMING: 4979200 CPU: 15783.3, 0.00313494/step Wall: 15783.3, 0.00313494/step, 0.018113 hours remaining, 241.378906 MB of memory in use. ENERGY: 4979200 3910.9782 20733.8405 14419.0963 226.7382 -202999.4546 2365.6328 0.0000 0.0000 52060.2936 -109282.8749 299.1912 -161343.1685 -108927.9249 299.7838 -37.8179 -5.6560 760519.3755 -15.7521 -15.6917 PRESSURE: 4979400 -80.258 4.46635 -65.9742 4.46638 -576.681 93.1993 -65.974 93.1995 -297.919 GPRESSURE: 4979400 -31.8449 -36.1819 13.81 76.5202 -587.801 76.9843 4.01103 74.1651 -231.122 PRESSAVG: 4979400 -23.3962 -5.48763 33.016 -5.48759 13.362 32.7753 33.016 32.7753 -8.97846 GPRESSAVG: 4979400 -23.7028 -6.25612 33.1109 -4.55795 13.1151 32.9559 32.9014 34.6162 -8.89219 TIMING: 4979400 CPU: 15783.9, 0.00312675/step Wall: 15783.9, 0.00312675/step, 0.017892 hours remaining, 241.378906 MB of memory in use. ENERGY: 4979400 4133.4857 20485.3980 14544.1164 242.6243 -202614.3905 2259.9667 0.0000 0.0000 52058.5764 -108890.2231 299.1814 -160948.7995 -108537.3350 300.2725 -318.2860 -283.5893 761159.7756 -6.3376 -6.4933 PRESSURE: 4979600 -215.387 244.53 98.5033 244.53 19.5432 -53.9623 98.5048 -53.9618 -60.3106 GPRESSURE: 4979600 -261.86 183.523 103.46 226.727 63.5767 -62.8965 -19.2694 -64.6869 24.0689 PRESSAVG: 4979600 -17.5854 -70.7724 -80.7644 -70.7724 25.418 3.68068 -80.7644 3.6807 -19.7258 GPRESSAVG: 4979600 -17.8702 -70.1416 -81.9691 -70.7831 26.8171 3.01021 -78.9197 3.24373 -20.3296 TIMING: 4979600 CPU: 15784.5, 0.00312604/step Wall: 15784.5, 0.00312604/step, 0.0177143 hours remaining, 241.378906 MB of memory in use. ENERGY: 4979600 4021.4987 20458.5781 14504.6995 262.8404 -203114.9284 2513.0034 0.0000 0.0000 52157.8461 -109196.4622 299.7519 -161354.3083 -108837.8957 300.2730 -85.3850 -58.0715 760211.2655 -3.9644 -3.7942 PRESSURE: 4979800 318.53 -62.9857 -2.5204 -62.985 -308.384 175.032 -2.52031 175.031 213.896 GPRESSURE: 4979800 217.551 -147.033 -96.2035 -12.5784 -166.7 161.54 9.94838 171.844 270.776 PRESSAVG: 4979800 -12.819 -29.7305 2.39249 -29.7305 61.7876 -17.3751 2.39246 -17.375 19.0171 GPRESSAVG: 4979800 -15.1253 -30.4113 2.19866 -27.4325 62.7478 -16.2275 1.74959 -18.3916 20.3048 TIMING: 4979800 CPU: 15785.2, 0.00314961/step Wall: 15785.2, 0.00314961/step, 0.0176728 hours remaining, 241.378906 MB of memory in use. ENERGY: 4979800 4047.3203 20703.8150 14532.4500 250.2919 -203346.6378 2462.8430 0.0000 0.0000 52130.3042 -109219.6134 299.5936 -161349.9176 -108859.6441 300.1455 74.6807 107.2090 760519.6787 22.6619 22.6424 PRESSURE: 4980000 -696.217 -353.528 -107.933 -353.528 -169.882 30.8533 -107.934 30.8536 -376.626 GPRESSURE: 4980000 -581.4 -404.665 -105.414 -382.101 -229.993 10.1987 -95.2415 13.3934 -355.964 PRESSAVG: 4980000 -32.3042 -83.3507 -46.5751 -83.3507 24.0691 34.4578 -46.5752 34.4578 -10.7612 GPRESSAVG: 4980000 -29.0531 -81.3337 -43.7116 -85.1753 21.3925 33.1697 -47.2147 35.0953 -11.4604 TIMING: 4980000 CPU: 15785.8, 0.00314747/step Wall: 15785.8, 0.00314747/step, 0.0174859 hours remaining, 241.378906 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: 4980000 3996.7891 20635.4706 14441.0631 243.6516 -203123.5148 2323.5649 0.0000 0.0000 52215.6005 -109267.3750 300.0838 -161482.9755 -108904.8139 299.9206 -414.2415 -389.1187 762319.5124 -6.3321 -6.3737 PRESSURE: 4980200 259.478 -200.626 -23.5594 -200.626 -86.3844 36.886 -23.559 36.8851 394.221 GPRESSURE: 4980200 197.746 -169.113 7.52393 -171.413 56.594 88.5217 24.0438 220.919 389.921 PRESSAVG: 4980200 15.0307 -47.7454 -16.4605 -47.7453 -20.904 29.7433 -16.4605 29.7434 -4.25169 GPRESSAVG: 4980200 13.0057 -48.5854 -19.4058 -48.238 -19.0746 30.568 -15.7809 27.8563 -3.98072 TIMING: 4980200 CPU: 15786.4, 0.00313551/step Wall: 15786.4, 0.00313551/step, 0.0172453 hours remaining, 241.378906 MB of memory in use. ENERGY: 4980200 3942.2373 20521.6839 14486.2763 262.0724 -203568.3827 2827.6057 0.0000 0.0000 52170.1634 -109358.3437 299.8226 -161528.5071 -108991.6699 299.8240 189.1049 214.7535 760499.5664 -3.3750 -3.3498 LDB: ============= START OF LOAD BALANCING ============== 15798.9 LDB: ============== END OF LOAD BALANCING =============== 15798.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15798.9 LDB: ============= START OF LOAD BALANCING ============== 15799.2 LDB: Largest compute 7066 load 0.033899 is 17.3% of average load 0.195531 LDB: Average compute 0.004382 is 2.2% of average load 0.195531 LDB: TIME 15799.2 LOAD: AVG 0.195531 MAX 0.216356 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.129 MB LDB: TIME 15799.2 LOAD: AVG 0.195531 MAX 0.216356 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.129 MB LDB: TIME 15799.2 LOAD: AVG 0.195531 MAX 0.216356 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.129 MB LDB: ============== END OF LOAD BALANCING =============== 15799.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15799.2 PRESSURE: 4980400 -418.7 -51.3826 95.3619 -51.3837 -295.687 0.340448 95.3618 0.341032 443.461 GPRESSURE: 4980400 -455.814 -68.6244 35.8739 33.2618 -142.54 -23.8303 81.9403 136.958 409.935 PRESSAVG: 4980400 -27.9609 -34.0137 -23.1422 -34.0137 55.7266 63.6766 -23.1422 63.6766 14.6685 GPRESSAVG: 4980400 -26.9729 -36.2015 -22.4912 -32.393 54.6306 65.3678 -22.8872 64.0102 13.8945 TIMING: 4980400 CPU: 15787.1, 0.00320328/step Wall: 15787.1, 0.00320328/step, 0.0174401 hours remaining, 241.832031 MB of memory in use. ENERGY: 4980400 3973.3467 20678.6691 14559.1530 232.0615 -203129.9647 2399.4483 0.0000 0.0000 52112.4933 -109174.7929 299.4912 -161287.2862 -108812.9408 299.9982 -90.3086 -62.8065 761535.4628 14.1447 13.8507 PRESSURE: 4980600 262.698 -82.678 -204.044 -82.6778 40.8186 198.854 -204.045 198.855 -81.6611 GPRESSURE: 4980600 301.373 -117.089 -196.261 -116.742 26.7061 292.327 -251.177 239.55 -29.6299 PRESSAVG: 4980600 -42.1001 -37.3341 -50.2789 -37.3341 25.3224 16.1962 -50.2789 16.1963 18.6915 GPRESSAVG: 4980600 -42.4413 -37.0534 -49.7198 -37.1476 25.3385 14.7191 -49.698 16.1919 18.0813 TIMING: 4980600 CPU: 15787.7, 0.00312457/step Wall: 15787.7, 0.00312457/step, 0.016838 hours remaining, 242.035156 MB of memory in use. ENERGY: 4980600 3951.3483 20645.3800 14512.3735 254.2777 -203110.9836 2556.9854 0.0000 0.0000 52143.4910 -109047.1278 299.6694 -161190.6188 -108688.8743 300.1153 73.9519 99.4829 762447.7579 0.6379 0.3261 PRESSURE: 4980800 -242.195 56.7917 -48.5341 56.7915 -175.379 -157.598 -48.5337 -157.599 -152.589 GPRESSURE: 4980800 -297.303 13.1783 -53.9531 -37.167 -118.06 -270.354 -39.432 53.3628 -85.8336 PRESSAVG: 4980800 13.7571 -33.0988 -18.9772 -33.0988 -16.7885 -14.3038 -18.9772 -14.3038 -5.12824 GPRESSAVG: 4980800 12.1051 -33.2417 -20.2345 -32.8688 -16.9988 -15.4996 -17.1979 -12.3853 -3.53915 TIMING: 4980800 CPU: 15788.3, 0.00311495/step Wall: 15788.3, 0.00311495/step, 0.0166131 hours remaining, 242.035156 MB of memory in use. ENERGY: 4980800 4032.8408 20593.1695 14519.3307 252.4471 -203183.5314 2392.0352 0.0000 0.0000 52314.0481 -109079.6601 300.6496 -161393.7082 -108711.5750 300.7625 -190.0541 -167.0655 761947.2864 -2.7199 -2.8110 PRESSURE: 4981000 -136.072 -19.004 -180.239 -19.0038 -220.899 70.0327 -180.239 70.0322 -217.59 GPRESSURE: 4981000 -88.1302 -133.289 -93.4013 33.2648 -173.868 14.5458 -150.181 159.789 -200.931 PRESSAVG: 4981000 84.1343 -19.6598 11.8712 -19.6598 -50.2373 67.7209 11.8712 67.7209 11.0402 GPRESSAVG: 4981000 86.7 -19.9839 13.9899 -20.6718 -51.0001 66.4874 10.7649 68.4457 9.39069 TIMING: 4981000 CPU: 15788.9, 0.00312974/step Wall: 15788.9, 0.00312974/step, 0.0165181 hours remaining, 242.035156 MB of memory in use. ENERGY: 4981000 4095.9703 20575.8590 14458.7235 259.6271 -202859.7020 2321.9881 0.0000 0.0000 51967.1023 -109180.4315 298.6557 -161147.5338 -108815.8369 300.2067 -191.5204 -154.3096 760890.5924 14.9791 15.0302 PRESSURE: 4981200 62.8261 -103.992 -30.9299 -103.992 6.82865 27.7747 -30.9294 27.775 101.821 GPRESSURE: 4981200 135.309 -198.689 -72.5132 -48.2823 -43.6393 42.4146 24.6241 -49.6357 174.141 PRESSAVG: 4981200 -13.623 -99.4766 -86.2251 -99.4766 -29.1422 -5.4072 -86.2251 -5.40729 23.3303 GPRESSAVG: 4981200 -14.6129 -98.1636 -88.016 -97.5664 -28.9649 -3.70413 -83.2316 -9.89063 24.1973 TIMING: 4981200 CPU: 15789.6, 0.00313904/step Wall: 15789.6, 0.00313904/step, 0.0163928 hours remaining, 242.035156 MB of memory in use. ENERGY: 4981200 4002.5890 20523.5592 14431.9092 235.5407 -203393.4934 2787.2916 0.0000 0.0000 52058.9729 -109353.6309 299.1836 -161412.6037 -108991.9132 299.9360 57.1585 88.6035 759513.3548 -6.4783 -6.4602 PRESSURE: 4981400 77.5153 -9.0852 37.6592 -9.08469 222.792 -51.5581 37.6583 -51.5577 -81.7855 GPRESSURE: 4981400 119.023 -40.0501 -7.7349 -22.8809 237.39 18.239 -4.63268 -6.40423 -21.704 PRESSAVG: 4981400 13.0533 -69.8051 17.2893 -69.805 8.36951 -1.73522 17.2892 -1.73513 17.6922 GPRESSAVG: 4981400 13.2331 -69.4327 17.7034 -72.5495 8.20858 -0.0786665 16.723 -0.129273 17.866 TIMING: 4981400 CPU: 15790.2, 0.00313096/step Wall: 15790.2, 0.00313096/step, 0.0161766 hours remaining, 242.035156 MB of memory in use. ENERGY: 4981400 3980.0302 20361.3908 14463.7333 238.1053 -203747.0304 2799.2675 0.0000 0.0000 52293.4087 -109611.0946 300.5309 -161904.5033 -109240.4579 299.6582 72.8405 111.5697 760054.1417 13.0384 13.1025 PRESSURE: 4981600 414.901 -158.502 83.5494 -158.502 203.652 25.8165 83.5495 25.8166 -4.3585 GPRESSURE: 4981600 423.065 -166.708 81.3944 -123.342 243.011 79.7758 86.609 -78.4146 42.2324 PRESSAVG: 4981600 -56.196 -73.266 -26.2822 -73.266 5.57952 -8.80375 -26.2822 -8.80371 46.9488 GPRESSAVG: 4981600 -56.9375 -72.6594 -26.0018 -72.0677 6.09593 -9.51889 -25.8665 -11.5822 46.9783 TIMING: 4981600 CPU: 15790.8, 0.00313801/step Wall: 15790.8, 0.00313801/step, 0.0160387 hours remaining, 242.035156 MB of memory in use. ENERGY: 4981600 3940.3237 20407.5437 14444.0583 216.6546 -203480.8224 2580.1855 0.0000 0.0000 52216.1919 -109675.8647 300.0872 -161892.0566 -109305.6380 299.4167 204.7313 236.1026 760337.0866 -1.2226 -1.2877 PRESSURE: 4981800 -218.621 25.8371 17.3351 25.8382 169.966 -28.0858 17.3349 -28.0857 33.3622 GPRESSURE: 4981800 -85.8049 46.7926 38.9164 78.7087 177.893 -6.32439 62.4879 121.72 -5.87401 PRESSAVG: 4981800 -12.8375 -32.8912 -25.9134 -32.8912 46.9042 -2.05086 -25.9134 -2.05093 27.5932 GPRESSAVG: 4981800 -12.3606 -32.6246 -25.9991 -33.0498 46.7683 -2.2177 -27.2565 2.22674 27.429 TIMING: 4981800 CPU: 15791.4, 0.00313443/step Wall: 15791.4, 0.00313443/step, 0.0158463 hours remaining, 242.035156 MB of memory in use. ENERGY: 4981800 3982.5175 20561.0741 14506.7412 253.3700 -203811.4336 2737.0168 0.0000 0.0000 51977.3011 -109793.4128 298.7143 -161770.7139 -109441.5377 299.1285 -5.0976 28.7379 758898.8391 20.5533 20.6122 PRESSURE: 4982000 -110.931 -30.7512 -76.9117 -30.7512 -42.5949 265.15 -76.911 265.151 -158.077 GPRESSURE: 4982000 -43.6243 -133.705 -109.295 67.3569 86.8269 230.95 -58.4953 248.932 -255.527 PRESSAVG: 4982000 -20.8302 -15.6132 31.7091 -15.6132 39.2952 -12.794 31.7091 -12.794 16.9738 GPRESSAVG: 4982000 -20.4527 -17.2253 32.5378 -13.6948 39.6664 -13.5175 31.9213 -12.0843 15.5961 TIMING: 4982000 CPU: 15792.1, 0.00312703/step Wall: 15792.1, 0.00312703/step, 0.0156352 hours remaining, 242.035156 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: 4982000 3996.0914 20445.8503 14449.1865 257.0228 -203495.1208 2517.2499 0.0000 0.0000 52054.0014 -109775.7184 299.1551 -161829.7198 -109415.9027 299.0903 -103.8676 -70.7748 761901.2698 11.8130 11.6033 PRESSURE: 4982200 -190.814 -110.502 -26.2817 -110.501 -154.435 -147.309 -26.2821 -147.308 -11.9966 GPRESSURE: 4982200 -142.791 -233.1 -98.9628 -65.1187 -182.127 -52.0675 133.305 1.19984 61.2498 PRESSAVG: 4982200 2.67838 -45.9378 -1.80929 -45.9378 37.8597 30.9308 -1.80937 30.9308 7.34168 GPRESSAVG: 4982200 2.79857 -42.9527 -3.11771 -47.6145 36.0672 30.6167 -2.01405 28.6145 8.93846 TIMING: 4982200 CPU: 15792.7, 0.00314768/step Wall: 15792.7, 0.00314768/step, 0.0155636 hours remaining, 242.035156 MB of memory in use. ENERGY: 4982200 3947.2783 20623.1846 14530.4196 234.8739 -203909.4001 2692.6566 0.0000 0.0000 52024.9684 -109856.0187 298.9882 -161880.9871 -109494.1224 298.5988 -119.0818 -87.8892 760153.7010 15.9599 15.9347 PRESSURE: 4982400 -34.411 -38.4799 84.3503 -38.4803 126.767 182.357 84.3516 182.357 67.2997 GPRESSURE: 4982400 19.3766 -63.9323 10.9353 -41.3567 216.028 179.574 104.771 194.943 30.5672 PRESSAVG: 4982400 -15.9982 -20.9778 13.1301 -20.9778 14.7985 -1.44572 13.1301 -1.44565 -13.1961 GPRESSAVG: 4982400 -15.4317 -23.5357 13.6569 -22.7829 14.619 -0.177984 13.7674 -0.583729 -13.2556 TIMING: 4982400 CPU: 15793.3, 0.00314709/step Wall: 15793.3, 0.00314709/step, 0.0153858 hours remaining, 242.035156 MB of memory in use. ENERGY: 4982400 4006.8376 20545.0164 14477.2002 244.1073 -203511.7711 2682.5942 0.0000 0.0000 51813.2072 -109742.8082 297.7712 -161556.0154 -109384.0589 299.3529 53.2185 88.6573 759292.4081 -4.7986 -4.6894 PRESSURE: 4982600 -248.786 -217.384 -62.4173 -217.384 -406.937 189.839 -62.4173 189.839 -117.8 GPRESSURE: 4982600 -152.907 -160.928 -76.253 -72.4499 -442.888 100.62 -162.694 123.751 -79.3674 PRESSAVG: 4982600 42.6496 -55.6107 -20.3386 -55.6107 -43.301 31.9878 -20.3387 31.9878 19.0403 GPRESSAVG: 4982600 41.4734 -54.9112 -19.7614 -51.8169 -42.9206 31.2777 -22.7789 31.3083 19.629 TIMING: 4982600 CPU: 15794, 0.00315235/step Wall: 15794, 0.00315235/step, 0.0152363 hours remaining, 242.035156 MB of memory in use. ENERGY: 4982600 4106.4005 20735.5537 14464.4420 233.8099 -203475.5824 2560.4268 0.0000 0.0000 51770.5643 -109604.3852 297.5261 -161374.9496 -109258.8329 299.1086 -257.8410 -225.0541 761263.3400 6.1296 6.0606 PRESSURE: 4982800 174.736 24.2855 113.362 24.2857 -118.841 -4.7964 113.362 -4.79543 119.76 GPRESSURE: 4982800 156.789 -174.63 90.6753 70.9522 -47.0266 61.6361 226.864 46.6256 158.408 PRESSAVG: 4982800 15.4515 -61.2194 -44.7605 -61.2193 -24.2645 0.0857568 -44.7605 0.0857656 -13.8746 GPRESSAVG: 4982800 15.2502 -62.1066 -46.6682 -64.9587 -22.8507 0.342131 -42.0299 1.65429 -14.7544 TIMING: 4982800 CPU: 15794.6, 0.00314589/step Wall: 15794.6, 0.00314589/step, 0.0150304 hours remaining, 242.035156 MB of memory in use. ENERGY: 4982800 4002.4406 20546.7329 14491.5647 247.2339 -203811.1272 2718.3344 0.0000 0.0000 52015.2063 -109789.6145 298.9321 -161804.8208 -109421.5040 299.1463 58.5518 89.3903 760026.7583 -7.5625 -7.4517 PRESSURE: 4983000 50.2968 139.933 142.185 139.933 86.7128 12.1641 142.185 12.1648 248.802 GPRESSURE: 4983000 93.3411 218.796 104.591 33.2076 60.2092 9.4742 113.683 78.8535 306.782 PRESSAVG: 4983000 -15.5195 -60.0182 50.6795 -60.0182 31.524 79.2241 50.6795 79.2242 9.15913 GPRESSAVG: 4983000 -14.9726 -60.12 52.8202 -60.4018 30.1096 78.2712 49.9486 78.4183 9.78355 TIMING: 4983000 CPU: 15795.2, 0.00314397/step Wall: 15795.2, 0.00314397/step, 0.0148465 hours remaining, 242.035156 MB of memory in use. ENERGY: 4983000 3984.3715 20587.1810 14483.0173 244.1232 -203722.7783 2562.6906 0.0000 0.0000 52168.6934 -109692.7013 299.8142 -161861.3947 -109339.4962 299.1054 128.6038 153.4440 761488.5587 8.3879 8.3068 PRESSURE: 4983200 -51.2911 -87.4833 22.7536 -87.4838 175.517 265.971 22.7544 265.971 60.4811 GPRESSURE: 4983200 -22.5295 -241.13 -105.911 34.14 264.708 178.814 31.8487 203.869 9.96261 PRESSAVG: 4983200 -7.18549 -78.0789 22.3704 -78.0789 -12.1423 45.339 22.3704 45.339 21.9897 GPRESSAVG: 4983200 -7.0761 -80.4293 21.9836 -76.9321 -11.7742 43.3096 21.4924 45.9669 21.0497 TIMING: 4983200 CPU: 15795.8, 0.00313368/step Wall: 15795.8, 0.00313368/step, 0.0146238 hours remaining, 242.035156 MB of memory in use. ENERGY: 4983200 3956.2108 20579.7893 14535.9958 264.2130 -203625.8846 2624.4770 0.0000 0.0000 51950.5571 -109714.6416 298.5606 -161665.1987 -109347.0060 298.8996 61.5690 84.0472 761708.7336 0.8873 0.7331 PRESSURE: 4983400 129.764 138.633 119.02 138.633 69.2902 130.569 119.02 130.569 36.8393 GPRESSURE: 4983400 144.492 79.4015 53.6675 204.817 153.632 119.951 299.356 266.564 33.0381 PRESSAVG: 4983400 -39.8588 -4.63761 -18.4743 -4.63755 9.83314 40.4391 -18.4743 40.4391 14.5654 GPRESSAVG: 4983400 -39.1917 -4.29248 -19.2474 -3.09258 9.73253 44.5708 -16.2993 38.3139 13.8434 TIMING: 4983400 CPU: 15796.5, 0.00310834/step Wall: 15796.5, 0.00310834/step, 0.0143329 hours remaining, 242.035156 MB of memory in use. ENERGY: 4983400 3935.7046 20548.8139 14508.3701 247.1821 -203739.7677 2675.0144 0.0000 0.0000 52164.1399 -109660.5427 299.7880 -161824.6826 -109299.5852 299.0558 78.6312 110.3874 761326.3837 -5.1534 -5.2052 PRESSURE: 4983600 169.661 -190.973 41.2824 -190.974 196.322 128.823 41.2829 128.823 38.1608 GPRESSURE: 4983600 144.944 -102.004 -6.77773 -250.992 308.174 125.376 17.7803 88.5138 42.1456 PRESSAVG: 4983600 0.633629 -15.2672 -26.9582 -15.2672 -1.13241 8.19202 -26.9582 8.19192 7.99255 GPRESSAVG: 4983600 0.553274 -11.7589 -24.6333 -17.5082 -2.25173 7.75403 -30.1156 8.4795 8.85628 TIMING: 4983600 CPU: 15797.1, 0.00310972/step Wall: 15797.1, 0.00310972/step, 0.0141665 hours remaining, 242.292969 MB of memory in use. ENERGY: 4983600 3947.7828 20533.1683 14465.2173 248.1656 -203587.9871 2460.2399 0.0000 0.0000 51947.1675 -109986.2457 298.5411 -161933.4132 -109630.9361 298.7114 134.7146 165.0877 760459.7148 2.4979 2.3859 PRESSURE: 4983800 94.6536 27.5967 35.6756 27.5971 242.289 -14.2628 35.676 -14.2622 58.6699 GPRESSURE: 4983800 78.3348 -86.3723 -17.6618 120.466 295.799 -41.0945 22.2079 -58.78 116.324 PRESSAVG: 4983800 -56.8371 -23.3526 -54.8993 -23.3526 17.6436 21.0554 -54.8994 21.0554 11.663 GPRESSAVG: 4983800 -57.6887 -24.8204 -56.1239 -22.8302 18.9287 20.671 -53.731 21.5973 11.8287 TIMING: 4983800 CPU: 15797.7, 0.00314048/step Wall: 15797.7, 0.00314048/step, 0.0141322 hours remaining, 242.292969 MB of memory in use. ENERGY: 4983800 3967.5463 20385.7593 14506.4083 250.2064 -203629.7828 2594.8708 0.0000 0.0000 51806.5363 -110118.4554 297.7329 -161924.9917 -109747.6251 298.5316 131.8709 163.4859 758115.2629 -9.1768 -8.9771 PRESSURE: 4984000 51.0931 -6.61796 -115.718 -6.61808 -26.6172 247.708 -115.717 247.707 -168.872 GPRESSURE: 4984000 91.4757 -30.0093 -66.6515 68.2368 1.60966 186.826 -165.045 168.177 -149.872 PRESSAVG: 4984000 -20.619 -49.184 -21.5961 -49.184 0.77115 -23.7554 -21.596 -23.7554 -10.9455 GPRESSAVG: 4984000 -19.8921 -49.9378 -21.8121 -47.5151 -0.274341 -22.4527 -20.9272 -24.9498 -10.636 TIMING: 4984000 CPU: 15798.3, 0.00313254/step Wall: 15798.3, 0.00313254/step, 0.0139224 hours remaining, 242.292969 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: 4984000 4011.6943 20568.0950 14411.3703 274.8195 -203178.2481 2136.5178 0.0000 0.0000 51671.7868 -110103.9645 296.9585 -161775.7513 -109752.0780 298.0752 -48.1319 -18.9289 760619.5927 -10.2644 -10.2675 PRESSURE: 4984200 -277.503 92.1064 -29.4424 92.1058 -191.088 183.328 -29.4427 183.329 54.9226 GPRESSURE: 4984200 -265.775 81.8914 2.5483 67.559 -15.8002 158.473 -11.1754 139.28 -39.6987 PRESSAVG: 4984200 9.41332 1.60805 -29.6038 1.60805 -39.4629 28.8337 -29.6037 28.8338 30.534 GPRESSAVG: 4984200 8.38617 2.50096 -29.3866 1.06772 -37.832 26.6991 -29.4659 31.4501 30.3831 TIMING: 4984200 CPU: 15799, 0.00312145/step Wall: 15799, 0.00312145/step, 0.0136997 hours remaining, 242.292969 MB of memory in use. ENERGY: 4984200 3991.3555 20529.4908 14473.2660 232.8153 -203526.5078 2327.1394 0.0000 0.0000 51840.1821 -110132.2588 297.9262 -161972.4409 -109773.7946 298.0574 -137.8896 -107.0914 761792.9895 0.1615 0.3124 LDB: ============= START OF LOAD BALANCING ============== 15811.4 LDB: ============== END OF LOAD BALANCING =============== 15811.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15811.4 LDB: ============= START OF LOAD BALANCING ============== 15811.7 LDB: Largest compute 7073 load 0.031743 is 16.2% of average load 0.195494 LDB: Average compute 0.004402 is 2.3% of average load 0.195494 LDB: TIME 15811.7 LOAD: AVG 0.195494 MAX 0.218505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 240.949 MB LDB: TIME 15811.7 LOAD: AVG 0.195494 MAX 0.218505 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.207 MB LDB: TIME 15811.7 LOAD: AVG 0.195494 MAX 0.217854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.207 MB LDB: ============== END OF LOAD BALANCING =============== 15811.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 15811.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 4984400 137.073 -139.631 -113.181 -139.632 -102.835 167.014 -113.181 167.014 -263.009 GPRESSURE: 4984400 157.592 -109.145 -155.876 -47.3911 -52.5292 137.284 -138.375 63.123 -260.221 PRESSAVG: 4984400 -14.4142 -65.1277 -25.5935 -65.1278 41.2087 26.8675 -25.5934 26.8675 13.0956 GPRESSAVG: 4984400 -12.54 -65.5971 -25.0495 -65.154 39.6709 28.281 -27.3151 25.3567 12.6252 TIMING: 4984400 CPU: 15799.6, 0.00321454/step Wall: 15799.6, 0.00321454/step, 0.0139297 hours remaining, 240.605469 MB of memory in use. ENERGY: 4984400 3939.3329 20570.4577 14504.4791 233.7582 -203715.2560 2641.4720 0.0000 0.0000 51906.2154 -109919.5407 298.3057 -161825.7560 -109561.0873 298.0231 -76.2570 -51.7195 760622.6611 13.2967 13.2521 PRESSURE: 4984600 -251.605 87.3174 -293.554 87.3174 -26.213 -17.5855 -293.554 -17.5853 -133.531 GPRESSURE: 4984600 -227.45 80.198 -199.935 54.5972 -10.9759 10.3019 -275.396 62.429 -89.335 PRESSAVG: 4984600 -1.91375 11.1596 -45.8481 11.1596 30.878 23.4941 -45.8481 23.494 -22.4875 GPRESSAVG: 4984600 -2.96001 12.119 -46.2683 10.355 31.1945 22.4544 -45.4728 23.3401 -21.9844 TIMING: 4984600 CPU: 15800.2, 0.00314668/step Wall: 15800.2, 0.00314668/step, 0.0134608 hours remaining, 240.675781 MB of memory in use. ENERGY: 4984600 3973.2794 20649.1741 14483.3132 242.9171 -203683.5090 2453.8266 0.0000 0.0000 51790.0795 -110090.9192 297.6383 -161880.9987 -109731.4436 298.3530 -137.1166 -109.2536 759740.1029 2.1589 2.0834 PRESSURE: 4984800 -192.664 -130.515 -103.28 -130.515 -27.5714 -127.417 -103.28 -127.418 -139.664 GPRESSURE: 4984800 -141.426 -49.2937 -110.559 -16.0526 -32.1322 -167.973 -15.632 -299.21 -126.088 PRESSAVG: 4984800 -38.8234 36.4554 -0.00625234 36.4554 35.5537 -7.4537 -0.0062241 -7.45376 20.9913 GPRESSAVG: 4984800 -37.7507 34.8277 -0.441361 38.7133 33.8415 -8.25525 1.30832 -8.5474 20.9665 TIMING: 4984800 CPU: 15800.9, 0.00313444/step Wall: 15800.9, 0.00313444/step, 0.0132343 hours remaining, 240.675781 MB of memory in use. ENERGY: 4984800 4014.6459 20575.7055 14562.8690 269.6873 -203829.6957 2518.8001 0.0000 0.0000 51645.3169 -110242.6709 296.8063 -161887.9878 -109881.6323 298.5211 -119.9665 -99.8819 760826.2050 5.9072 5.6857 PRESSURE: 4985000 288.994 -104.639 215.869 -104.639 -113.771 352.502 215.869 352.503 -177.252 GPRESSURE: 4985000 254.262 -170.748 177.877 -159.675 -15.3203 340.786 88.8136 143.922 -148.26 PRESSAVG: 4985000 44.299 -1.08201 38.6196 -1.08196 -29.5981 18.7394 38.6196 18.7393 3.69241 GPRESSAVG: 4985000 44.0353 -1.45332 37.5038 -3.33381 -29.4701 19.3926 38.594 18.0538 3.84029 TIMING: 4985000 CPU: 15801.5, 0.00312078/step Wall: 15801.5, 0.00312078/step, 0.0130033 hours remaining, 240.675781 MB of memory in use. ENERGY: 4985000 3897.9336 20481.6346 14437.1604 233.7507 -204041.2151 2888.3592 0.0000 0.0000 52054.5595 -110047.8171 299.1583 -162102.3766 -109672.3719 298.4185 -0.6766 30.2272 760068.8730 6.1311 6.1352 PRESSURE: 4985200 48.3987 -9.0287 71.1814 -9.02846 36.1388 48.787 71.1804 48.7876 -158.216 GPRESSURE: 4985200 -19.9382 63.4941 40.4997 124.571 129.303 83.5232 118.58 119.647 -82.9885 PRESSAVG: 4985200 -49.9742 -16.943 50.3585 -16.9429 64.9281 -2.44664 50.3586 -2.4467 -4.07605 GPRESSAVG: 4985200 -50.6404 -14.4187 52.7122 -17.0541 65.5939 -2.35496 48.3539 -0.372297 -3.75602 TIMING: 4985200 CPU: 15802.1, 0.00312667/step Wall: 15802.1, 0.00312667/step, 0.0128541 hours remaining, 240.675781 MB of memory in use. ENERGY: 4985200 3868.8815 20513.5262 14528.6511 261.8909 -203530.9160 2416.7842 0.0000 0.0000 51984.6588 -109956.5233 298.7565 -161941.1821 -109591.5067 298.7614 -24.5596 8.7923 759602.9770 3.6260 3.7325 PRESSURE: 4985400 -98.0836 -49.4731 173.525 -49.4733 -296.798 9.08192 173.526 9.08232 -50.5548 GPRESSURE: 4985400 -98.0104 -78.4939 237.916 -95.5049 -288.265 30.7001 136.641 105.346 44.7495 PRESSAVG: 4985400 15.1506 29.1395 46.4469 29.1395 -18.8449 20.3091 46.447 20.3091 15.3067 GPRESSAVG: 4985400 14.961 29.0352 46.6313 29.5838 -18.2637 19.5932 46.3542 21.203 14.7212 TIMING: 4985400 CPU: 15802.7, 0.00314665/step Wall: 15802.7, 0.00314665/step, 0.0127614 hours remaining, 240.675781 MB of memory in use. ENERGY: 4985400 3924.9594 20537.5164 14489.6340 222.8924 -203307.4323 2139.3757 0.0000 0.0000 52186.9372 -109806.1171 299.9190 -161993.0544 -109440.0106 298.9266 -148.4787 -113.8419 761010.4121 3.8708 3.8062 PRESSURE: 4985600 -426.554 0.0638573 60.5711 0.0631673 -261.166 37.5473 60.571 37.5466 -156.265 GPRESSURE: 4985600 -316.985 54.5356 38.1751 202.855 -197.196 117.538 32.8319 110.124 -244.865 PRESSAVG: 4985600 -12.5907 14.9786 3.54698 14.9785 2.50655 41.596 3.54687 41.596 -17.7362 GPRESSAVG: 4985600 -11.5002 15.6601 3.8205 15.2206 2.29532 43.5706 3.08782 39.7153 -18.3176 TIMING: 4985600 CPU: 15803.4, 0.00314818/step Wall: 15803.4, 0.00314818/step, 0.0125927 hours remaining, 240.675781 MB of memory in use. ENERGY: 4985600 4018.4101 20458.6216 14543.0851 236.1972 -203435.1570 2342.5628 0.0000 0.0000 51960.1915 -109876.0886 298.6159 -161836.2801 -109515.0349 298.7609 -281.3283 -253.0153 759633.2992 -9.2735 -9.1742 PRESSURE: 4985800 -99.4722 -78.2211 54.884 -78.221 72.5682 -104.452 54.8838 -104.45 -272.395 GPRESSURE: 4985800 -85.6655 -20.5004 -18.6393 -103.962 116.396 -265.517 73.0376 8.33213 -250.9 PRESSAVG: 4985800 11.8217 -21.4414 -20.8757 -21.4415 -42.1732 54.6782 -20.8758 54.6783 -23.1707 GPRESSAVG: 4985800 10.8582 -23.3533 -22.5819 -21.9933 -43.1909 52.8874 -17.6006 55.4315 -21.418 TIMING: 4985800 CPU: 15804, 0.00314262/step Wall: 15804, 0.00314262/step, 0.0123959 hours remaining, 240.675781 MB of memory in use. ENERGY: 4985800 4035.7276 20430.3181 14430.9639 222.1090 -203946.7403 2790.4778 0.0000 0.0000 52179.6924 -109857.4516 299.8774 -162037.1440 -109508.2713 298.6671 -99.7662 -73.3898 759985.7954 -17.8407 -17.9169 PRESSURE: 4986000 75.6652 29.4753 -31.7078 29.4761 -381.052 65.6314 -31.7085 65.6309 226.081 GPRESSURE: 4986000 32.9586 42.2769 -2.59154 92.0851 -291.396 134.139 -126.992 0.977313 250.846 PRESSAVG: 4986000 26.7919 4.32555 7.80101 4.3255 48.3605 -3.73654 7.80096 -3.7366 -6.51552 GPRESSAVG: 4986000 26.3604 5.52688 8.60234 4.52119 48.5072 -4.0608 5.53985 -3.02104 -6.78738 TIMING: 4986000 CPU: 15804.6, 0.00314031/step Wall: 15804.6, 0.00314031/step, 0.0122123 hours remaining, 240.675781 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: 4986000 3930.1834 20552.8482 14500.7502 251.5468 -203620.9309 2472.5825 0.0000 0.0000 52073.9879 -109839.0319 299.2699 -161913.0198 -109470.4230 298.9009 -26.4352 -2.5304 759954.8033 22.8790 22.6934 PRESSURE: 4986200 -18.2051 24.8239 10.9293 24.825 -161.125 -321.426 10.9292 -321.426 -379.249 GPRESSURE: 4986200 -83.1003 -9.58821 93.6375 35.6343 -93.9617 -266.67 -32.9798 -553.419 -283.549 PRESSAVG: 4986200 -39.7143 -7.52168 38.1462 -7.52162 12.6551 0.349476 38.1462 0.349466 19.2236 GPRESSAVG: 4986200 -39.4408 -6.20664 38.7732 -7.93811 12.3353 0.787448 39.4982 -0.960332 19.4631 TIMING: 4986200 CPU: 15805.3, 0.00313511/step Wall: 15805.3, 0.00313511/step, 0.0120179 hours remaining, 240.675781 MB of memory in use. ENERGY: 4986200 3985.7766 20500.5043 14436.2078 211.3826 -203177.7022 2385.3261 0.0000 0.0000 52043.7209 -109614.7838 299.0960 -161658.5048 -109254.4298 298.8282 -186.1929 -153.5370 761177.1932 -2.6119 -2.5474 PRESSURE: 4986400 -402.896 18.1777 66.3816 18.1776 -205.082 -135.229 66.3813 -135.229 -251.746 GPRESSURE: 4986400 -339.845 -158.072 -37.8616 -30.7379 -225.182 -117.221 42.811 -155.105 -227.594 PRESSAVG: 4986400 -26.1376 -45.6243 16.4282 -45.6243 18.8567 -14.1222 16.4282 -14.1222 27.4801 GPRESSAVG: 4986400 -24.899 -48.2566 14.6172 -45.6137 19.3577 -16.3955 16.91 -13.9237 25.6676 TIMING: 4986400 CPU: 15805.9, 0.00313584/step Wall: 15805.9, 0.00313583/step, 0.0118465 hours remaining, 240.675781 MB of memory in use. ENERGY: 4986400 3914.3455 20558.2132 14467.0297 240.5991 -202873.4938 2132.0923 0.0000 0.0000 51947.5426 -109613.6714 298.5432 -161561.2140 -109248.0658 298.7724 -286.5745 -264.2071 761045.8938 6.7331 6.7087 PRESSURE: 4986600 609.77 0.283493 180.161 0.283163 -10.8012 -207.082 180.16 -207.083 -81.0348 GPRESSURE: 4986600 607.575 -4.86169 208.856 67.1197 90.2321 -186.524 83.5568 -234.807 -89.8604 PRESSAVG: 4986600 8.69192 -67.148 38.8296 -67.1479 18.9101 -34.9573 38.8295 -34.9573 -28.013 GPRESSAVG: 4986600 8.45561 -66.6332 39.5613 -66.337 17.7804 -32.3961 37.0818 -34.844 -26.5855 TIMING: 4986600 CPU: 15806.5, 0.003145/step Wall: 15806.5, 0.003145/step, 0.0117064 hours remaining, 240.675781 MB of memory in use. ENERGY: 4986600 4002.1571 20619.1101 14421.8841 252.2207 -203901.5524 2840.6025 0.0000 0.0000 51922.0209 -109843.5570 298.3966 -161765.5779 -109497.8147 298.7619 172.6446 202.6490 758770.5019 -0.1370 -0.1165 PRESSURE: 4986800 -8.94731 -3.50535 -159.126 -3.50533 252.12 274.296 -159.126 274.295 -212.787 GPRESSURE: 4986800 24.6509 -13.3299 -75.7819 -24.7964 333.086 325.491 -192.605 309.259 -258.2 PRESSAVG: 4986800 -63.0678 -54.8701 -27.9309 -54.8701 42.4435 -1.22162 -27.9309 -1.22165 11.8259 GPRESSAVG: 4986800 -64.1581 -54.0838 -26.9679 -55.1614 43.1186 -1.57902 -27.0741 0.328087 11.9579 TIMING: 4986800 CPU: 15807.1, 0.00313753/step Wall: 15807.1, 0.00313753/step, 0.0115043 hours remaining, 240.675781 MB of memory in use. ENERGY: 4986800 3939.7458 20468.3299 14425.2727 239.2369 -203494.1196 2749.1474 0.0000 0.0000 51762.7232 -109909.6636 297.4811 -161672.3868 -109551.9006 298.2733 10.1285 33.1788 759527.4283 -2.9328 -3.0272 PRESSURE: 4987000 428.225 -157.806 169.414 -157.805 -204.78 196.133 169.413 196.134 -376.087 GPRESSURE: 4987000 383.697 -209.766 196.467 -7.64079 -88.2874 251.189 110.933 164.473 -364.959 PRESSAVG: 4987000 -65.8779 -61.0877 -62.7895 -61.0878 2.14093 28.3131 -62.7895 28.313 17.2342 GPRESSAVG: 4987000 -64.778 -61.4622 -63.0936 -60.9477 2.27199 29.3635 -63.4437 25.161 16.2627 TIMING: 4987000 CPU: 15807.8, 0.00312306/step Wall: 15807.8, 0.00312306/step, 0.0112777 hours remaining, 240.675781 MB of memory in use. ENERGY: 4987000 3965.2769 20537.9651 14473.7272 225.6462 -203503.0847 2429.6508 0.0000 0.0000 52119.6993 -109751.1193 299.5326 -161870.8186 -109393.7093 298.5159 -50.8806 -23.1830 761579.5247 -15.5010 -15.4145 PRESSURE: 4987200 -205.17 96.1035 14.4792 96.1039 194.54 -87.4706 14.4784 -87.4704 188.817 GPRESSURE: 4987200 -144.979 75.2397 -27.8604 37.3929 164.049 -155.245 79.9622 -128.662 220.753 PRESSAVG: 4987200 -17.9359 -9.20004 -24.1808 -9.19995 57.5169 -42.1356 -24.1808 -42.1357 11.7173 GPRESSAVG: 4987200 -17.4855 -8.15787 -24.0314 -9.902 58.3799 -43.4254 -23.3608 -41.7763 10.2087 TIMING: 4987200 CPU: 15808.4, 0.00312927/step Wall: 15808.4, 0.00312927/step, 0.0111263 hours remaining, 240.675781 MB of memory in use. ENERGY: 4987200 3926.2764 20518.0543 14463.3785 237.0631 -203240.1823 2570.9329 0.0000 0.0000 51950.0897 -109574.3874 298.5579 -161524.4771 -109215.9813 298.9361 59.3956 79.9412 759773.2518 17.0994 17.0344 PRESSURE: 4987400 -10.6555 -105.023 -9.13875 -105.023 -95.6923 91.4812 -9.13915 91.4804 129.371 GPRESSURE: 4987400 4.45549 -96.8579 72.761 -87.3353 72.2552 108.075 -59.7995 75.3387 40.1538 PRESSAVG: 4987400 22.4906 -66.4296 16.5708 -66.4296 12.0797 4.97159 16.5708 4.97152 6.44082 GPRESSAVG: 4987400 22.0639 -69.1859 15.2764 -65.021 11.3761 5.07077 17.2543 6.1134 7.48508 TIMING: 4987400 CPU: 15809, 0.00312696/step Wall: 15809, 0.00312696/step, 0.0109444 hours remaining, 240.675781 MB of memory in use. ENERGY: 4987400 3953.1721 20350.6751 14563.6744 237.8420 -203355.8125 2546.5588 0.0000 0.0000 52258.8122 -109445.0779 300.3321 -161703.8900 -109069.8981 298.8936 7.6745 38.9548 759839.7543 13.6704 13.6417 PRESSURE: 4987600 -18.909 238.361 71.4673 238.361 23.453 -73.9489 71.4673 -73.9478 166.276 GPRESSURE: 4987600 4.92093 161.773 -7.28391 107.676 47.5607 -46.1684 31.1632 -3.02375 171.429 PRESSAVG: 4987600 16.2706 -0.175881 47.6146 -0.175861 -15.4856 -20.9352 47.6146 -20.9352 14.9304 GPRESSAVG: 4987600 15.9633 1.17496 48.8145 -2.13256 -15.8652 -20.8269 47.59 -18.5839 15.6744 TIMING: 4987600 CPU: 15809.6, 0.00315533/step Wall: 15809.6, 0.00315533/step, 0.0108684 hours remaining, 240.675781 MB of memory in use. ENERGY: 4987600 4001.7916 20589.1378 14546.4814 241.3375 -203600.6350 2523.8767 0.0000 0.0000 52216.0131 -109481.9969 300.0861 -161698.0100 -109113.9552 299.3209 56.9401 74.6369 759714.0332 5.2384 5.2575 PRESSURE: 4987800 -257.344 196.918 301.475 196.918 142.777 85.1628 301.475 85.1631 227.677 GPRESSURE: 4987800 -164.639 109.372 288.42 188.469 154.656 49.5756 265.086 126.299 215.461 PRESSAVG: 4987800 -24.5606 16.0829 -36.0732 16.0829 24.4188 1.03521 -36.0732 1.0352 -25.8622 GPRESSAVG: 4987800 -25.5256 16.5442 -36.7889 18.8065 25.5107 -0.523826 -37.3996 -0.903724 -26.3542 TIMING: 4987800 CPU: 15810.3, 0.00313161/step Wall: 15810.3, 0.00313161/step, 0.0106127 hours remaining, 240.675781 MB of memory in use. ENERGY: 4987800 4042.9664 20480.2155 14572.3589 252.0637 -204034.1564 2763.6838 0.0000 0.0000 52316.8275 -109606.0405 300.6655 -161922.8680 -109234.9552 299.2293 37.7033 68.4924 758255.5084 -8.6680 -8.7897 PRESSURE: 4988000 -55.9592 -126.538 184.112 -126.538 -48.0019 -104.867 184.112 -104.867 121.935 GPRESSURE: 4988000 -85.8124 -157.286 31.3031 -219.179 3.68475 -47.3731 211.063 -149.331 175.208 PRESSAVG: 4988000 -27.4846 7.01681 -1.59994 7.0168 58.4388 44.0023 -1.60003 44.0023 7.09447 GPRESSAVG: 4988000 -25.8012 4.67636 -2.51628 6.63512 57.5542 45.0682 -1.71927 45.8474 6.5818 TIMING: 4988000 CPU: 15810.9, 0.00313279/step Wall: 15810.9, 0.00313279/step, 0.0104426 hours remaining, 240.675781 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: 4988000 3964.8813 20609.3776 14447.3479 266.4236 -203656.2802 2668.0754 0.0000 0.0000 52120.0735 -109580.1009 299.5348 -161700.1744 -109220.1521 299.4886 5.9911 31.0268 759080.3016 12.6829 12.7783 PRESSURE: 4988200 -626.825 -0.433152 237.743 -0.433755 -414.309 -1.63974 237.743 -1.63985 -538.24 GPRESSURE: 4988200 -611.267 -30.4424 244.527 19.9414 -381.716 54.6001 197.232 -47.0141 -537.398 PRESSAVG: 4988200 1.96083 -18.483 -28.1267 -18.4831 31.229 -1.64035 -28.1267 -1.64032 -11.3421 GPRESSAVG: 4988200 0.718587 -19.0705 -26.1712 -20.5609 31.852 -1.64157 -30.6058 -2.89164 -10.9147 TIMING: 4988200 CPU: 15811.5, 0.00314333/step Wall: 15811.5, 0.00314333/step, 0.0103031 hours remaining, 240.675781 MB of memory in use. ENERGY: 4988200 4032.1742 20668.3530 14527.9156 221.1666 -203111.1879 1919.0269 0.0000 0.0000 52163.0417 -109579.5099 299.7817 -161742.5516 -109207.4808 299.3656 -526.4578 -510.1268 759987.9067 7.2826 7.2186 LDB: ============= START OF LOAD BALANCING ============== 15824 LDB: ============== END OF LOAD BALANCING =============== 15824 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15824 LDB: ============= START OF LOAD BALANCING ============== 15824.3 LDB: Largest compute 7073 load 0.031612 is 16.2% of average load 0.195409 LDB: Average compute 0.004399 is 2.3% of average load 0.195409 LDB: TIME 15824.3 LOAD: AVG 0.195409 MAX 0.214574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 242.207 MB LDB: TIME 15824.3 LOAD: AVG 0.195409 MAX 0.214574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.277 MB LDB: TIME 15824.3 LOAD: AVG 0.195409 MAX 0.214574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 242.277 MB LDB: ============== END OF LOAD BALANCING =============== 15824.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15824.3 PRESSURE: 4988400 -82.8284 -338.141 -205.551 -338.14 255.263 -24.1022 -205.552 -24.1033 -97.1836 GPRESSURE: 4988400 -39.3257 -230.847 -150.381 -259.604 201.828 -75.8446 -199.602 -36.5043 -19.5107 PRESSAVG: 4988400 -9.01782 -29.0106 2.99843 -29.0105 -18.6474 -28.5288 2.99847 -28.5288 -15.1556 GPRESSAVG: 4988400 -8.45135 -25.8286 2.13063 -27.8495 -19.1682 -27.3766 5.08264 -31.314 -15.4603 TIMING: 4988400 CPU: 15812.2, 0.00317714/step Wall: 15812.2, 0.00317714/step, 0.0102374 hours remaining, 240.550781 MB of memory in use. ENERGY: 4988400 3995.0946 20419.1406 14473.2186 244.2046 -203683.6949 2825.7690 0.0000 0.0000 52155.1502 -109571.1173 299.7364 -161726.2675 -109198.0782 298.9309 25.0837 47.6638 760828.8092 -14.2736 -14.3600 PRESSURE: 4988600 132.966 8.02239 39.4883 8.02253 -141.927 -195.07 39.4882 -195.07 -143.359 GPRESSURE: 4988600 218.329 81.9512 62.4084 89.4159 -121.013 -100.776 21.1554 -34.0145 -146.415 PRESSAVG: 4988600 18.4186 -30.3619 -0.461768 -30.3619 0.841318 28.086 -0.461698 28.086 -15.2197 GPRESSAVG: 4988600 19.3246 -30.0692 -0.724299 -30.27 -0.543738 28.1591 0.563806 29.2308 -15.1489 TIMING: 4988600 CPU: 15812.8, 0.00312019/step Wall: 15812.8, 0.00312019/step, 0.00988062 hours remaining, 240.753906 MB of memory in use. ENERGY: 4988600 4037.7779 20344.8586 14599.2677 237.5048 -203721.5390 2692.6919 0.0000 0.0000 52146.1024 -109663.3356 299.6844 -161809.4380 -109294.1762 299.4561 -50.7733 -16.3659 761234.2564 1.3467 1.2107 PRESSURE: 4988800 41.5983 -184.598 -100.015 -184.599 -354.968 21.5359 -100.014 21.5366 166.576 GPRESSURE: 4988800 15.9872 -239.515 -117.994 -130.15 -195.22 -1.81568 -127.745 91.9145 116.522 PRESSAVG: 4988800 2.66736 -38.3338 -43.8547 -38.3338 -32.2866 28.1811 -43.8547 28.1811 4.81631 GPRESSAVG: 4988800 0.875715 -40.6227 -45.2463 -39.3449 -30.9818 27.3702 -43.1515 28.3911 5.58024 TIMING: 4988800 CPU: 15813.4, 0.0031363/step Wall: 15813.4, 0.0031363/step, 0.00975737 hours remaining, 240.753906 MB of memory in use. ENERGY: 4988800 3945.0732 20499.6637 14484.9422 255.8938 -203252.4040 2376.6568 0.0000 0.0000 52084.3044 -109605.8697 299.3292 -161690.1742 -109239.3878 299.1460 -48.9313 -20.9038 761171.6815 -8.2676 -8.1753 PRESSURE: 4989000 -60.8809 -61.2039 16.0289 -61.204 287.634 63.1723 16.0288 63.1723 -218.54 GPRESSURE: 4989000 -20.0129 -5.67616 43.8796 52.9491 334.713 107.209 -62.0782 172.35 -203.127 PRESSAVG: 4989000 1.17514 -62.3066 24.6517 -62.3066 0.920173 31.517 24.6517 31.517 6.67306 GPRESSAVG: 4989000 3.37256 -60.898 25.0883 -61.0561 0.455089 31.797 22.5735 30.0572 5.48585 TIMING: 4989000 CPU: 15814, 0.00312156/step Wall: 15814, 0.00312156/step, 0.0095381 hours remaining, 240.753906 MB of memory in use. ENERGY: 4989000 3995.0557 20348.9333 14432.2960 278.9553 -203986.8700 2845.1730 0.0000 0.0000 52470.9031 -109615.5536 301.5510 -162086.4567 -109242.2807 298.8775 2.7378 37.1910 761781.5230 2.9228 3.1045 PRESSURE: 4989200 -145.546 -80.1802 105.282 -80.18 -374 84.5813 105.281 84.5816 -149.819 GPRESSURE: 4989200 -129.82 -125.968 147.051 -192.768 -326.091 40.7402 74.2749 140.22 -131.876 PRESSAVG: 4989200 -5.12487 -56.6275 8.8743 -56.6274 35.0104 29.0901 8.87435 29.0902 -19.5076 GPRESSAVG: 4989200 -6.4892 -57.569 8.84641 -58.2581 34.8815 27.5005 10.0259 30.2261 -18.141 TIMING: 4989200 CPU: 15814.7, 0.00310799/step Wall: 15814.7, 0.00310799/step, 0.00932397 hours remaining, 240.753906 MB of memory in use. ENERGY: 4989200 4008.8791 20697.9641 14367.5478 247.2645 -203566.1406 2483.7537 0.0000 0.0000 51979.6019 -109781.1295 298.7275 -161760.7315 -109415.6355 299.3742 -223.1219 -195.9290 760397.9883 3.4593 3.4171 PRESSURE: 4989400 -59.628 46.0049 -53.3454 46.005 -58.4635 -80.4105 -53.3451 -80.4104 -151.496 GPRESSURE: 4989400 -129.468 65.9055 -65.6712 -39.0523 52.7064 -14.9497 79.7553 -97.7942 -113.905 PRESSAVG: 4989400 -11.0211 -87.8915 -1.57187 -87.8915 58.607 -1.2022 -1.57192 -1.20219 -0.547738 GPRESSAVG: 4989400 -11.9168 -88.6974 -1.61639 -86.4422 60.1531 0.385752 -2.0239 0.488935 -1.26559 TIMING: 4989400 CPU: 15815.3, 0.00312828/step Wall: 15815.3, 0.00312828/step, 0.00921103 hours remaining, 240.753906 MB of memory in use. ENERGY: 4989400 3902.4871 20496.0468 14463.0813 256.3000 -203854.3393 2762.9181 0.0000 0.0000 52184.5493 -109788.9568 299.9053 -161973.5061 -109425.6966 299.0103 -89.8627 -63.5556 761858.7079 15.6794 15.6569 PRESSURE: 4989600 52.9688 -145.494 140.151 -145.495 115.602 3.77949 140.151 3.77891 -188.051 GPRESSURE: 4989600 43.121 -177.944 98.4402 -72.3436 196.074 -34.5916 22.5764 -83.2173 -164.985 PRESSAVG: 4989600 -18.526 -36.9245 -8.22241 -36.9244 63.0777 -24.4171 -8.22241 -24.4171 -5.42453 GPRESSAVG: 4989600 -18.2735 -35.5398 -8.22511 -37.4588 63.1422 -26.8735 -7.65414 -24.2319 -5.20459 TIMING: 4989600 CPU: 15815.9, 0.0031313/step Wall: 15815.9, 0.0031313/step, 0.00904599 hours remaining, 240.753906 MB of memory in use. ENERGY: 4989600 3907.6519 20570.1298 14493.4019 230.8515 -203858.7368 2720.1121 0.0000 0.0000 51974.4115 -109962.1780 298.6977 -161936.5896 -109590.3836 298.6749 -6.4935 24.7370 760925.7674 13.0424 13.2214 PRESSURE: 4989800 -344.216 -194.337 -151.044 -194.337 -156.16 -15.259 -151.044 -15.2594 -106.323 GPRESSURE: 4989800 -329.604 -130.098 -122.099 -191.368 -119.695 39.9524 -139.217 -12.1313 -64.4515 PRESSAVG: 4989800 -58.2149 -53.748 12.272 -53.748 17.4 7.55349 12.2719 7.55356 12.5298 GPRESSAVG: 4989800 -57.0968 -56.2782 11.9359 -52.135 16.7982 7.8363 12.9623 6.40141 11.8039 TIMING: 4989800 CPU: 15816.5, 0.00313751/step Wall: 15816.5, 0.00313751/step, 0.0088896 hours remaining, 241.011719 MB of memory in use. ENERGY: 4989800 3919.7777 20544.7118 14512.8871 243.6210 -203303.4019 2272.8549 0.0000 0.0000 51913.5244 -109896.0251 298.3477 -161809.5495 -109534.2946 298.5265 -202.2329 -171.2503 760880.3037 -9.4284 -9.4982 PRESSURE: 4990000 54.4766 -50.0308 -119.727 -50.0313 95.2132 -194.233 -119.728 -194.234 -77.7253 GPRESSURE: 4990000 166.086 -62.2501 -119.477 -38.3199 98.277 -110.834 -127.347 -194 -103.468 PRESSAVG: 4990000 -47.4668 -44.3785 -26.4254 -44.3785 57.2664 0.0684311 -26.4254 0.0684254 -8.36208 GPRESSAVG: 4990000 -46.77 -42.658 -24.6569 -45.092 56.7724 2.67146 -30.7799 -0.919824 -8.43068 TIMING: 4990000 CPU: 15817.2, 0.00313781/step Wall: 15817.2, 0.00313782/step, 0.00871615 hours remaining, 241.011719 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: 4990000 3983.8002 20522.8667 14430.7900 232.0198 -203808.3901 2625.9023 0.0000 0.0000 51970.3645 -110042.6465 298.6744 -162013.0110 -109673.2029 298.0329 23.9882 53.6315 761488.8009 0.4792 0.5239 PRESSURE: 4990200 -72.2228 -48.7377 304.651 -48.7374 92.7993 260.142 304.651 260.143 40.7088 GPRESSURE: 4990200 -112.885 26.3931 293.906 -41.3545 141.217 232.855 223.789 192.975 93.7683 PRESSAVG: 4990200 -51.2864 -28.6821 15.7938 -28.6821 70.4288 56.9895 15.7938 56.9895 -22.5027 GPRESSAVG: 4990200 -51.7703 -29.9899 14.8948 -30.2537 70.2187 56.0731 17.7628 59.6324 -22.0298 TIMING: 4990200 CPU: 15817.8, 0.00314051/step Wall: 15817.8, 0.00314051/step, 0.00854916 hours remaining, 241.011719 MB of memory in use. ENERGY: 4990200 3953.2442 20631.8563 14460.3331 235.6630 -203812.5477 2795.2544 0.0000 0.0000 51588.9685 -110147.2281 296.4825 -161736.1966 -109792.6521 297.9019 20.4284 40.6999 760967.3441 -1.1201 -1.1938 PRESSURE: 4990400 185.661 -16.4116 169.157 -16.4111 -1.62485 -129.506 169.158 -129.505 38.5348 GPRESSURE: 4990400 189.176 29.6249 156.119 45.4085 91.1761 -59.1957 198.662 -216.702 48.3204 PRESSAVG: 4990400 -33.2059 2.34671 3.26129 2.34666 24.7092 -16.328 3.26129 -16.3279 -9.33605 GPRESSAVG: 4990400 -33.9291 4.77321 2.56543 0.919066 24.7256 -14.6332 2.90058 -19.6375 -8.93458 TIMING: 4990400 CPU: 15818.4, 0.00313036/step Wall: 15818.4, 0.00313036/step, 0.00834762 hours remaining, 241.011719 MB of memory in use. ENERGY: 4990400 3965.9981 20361.4922 14513.4270 268.7803 -203643.3636 2713.6722 0.0000 0.0000 51979.3586 -109840.6353 298.7261 -161819.9939 -109491.1739 297.8771 74.1903 109.5574 759854.5047 -5.9442 -6.0460 PRESSURE: 4990600 -14.3895 47.4446 -147.409 47.4444 189.63 -24.611 -147.408 -24.611 -153.157 GPRESSURE: 4990600 87.1181 -51.1546 -175.518 26.4601 244.143 -69.2953 -211.564 -87.674 -239.522 PRESSAVG: 4990600 -33.919 -21.6666 9.37969 -21.6667 7.12552 7.74904 9.37964 7.74905 -5.28843 GPRESSAVG: 4990600 -33.1539 -23.6074 9.3163 -20.3205 6.71632 5.94361 10.0667 9.83607 -5.59973 TIMING: 4990600 CPU: 15819, 0.00311545/step Wall: 15819, 0.00311545/step, 0.00813478 hours remaining, 241.011719 MB of memory in use. ENERGY: 4990600 4023.4713 20571.2096 14446.9663 249.3553 -203561.9082 2571.8857 0.0000 0.0000 52248.5678 -109450.4523 300.2732 -161699.0201 -109101.0312 299.1893 7.3610 30.5799 761235.1879 -10.6940 -10.6791 PRESSURE: 4990800 -129.434 -61.8777 -78.7402 -61.8774 67.9599 19.5335 -78.7407 19.5346 163.765 GPRESSURE: 4990800 -125.827 32.8922 -55.1293 -141.373 136.864 -44.9451 -32.5926 -90.0647 172.311 PRESSAVG: 4990800 -29.2091 -12.8635 -12.8041 -12.8634 4.57641 8.74282 -12.8042 8.74283 14.3655 GPRESSAVG: 4990800 -29.6333 -12.243 -12.7738 -13.6975 5.10959 9.63969 -12.2058 6.92426 14.3934 TIMING: 4990800 CPU: 15819.7, 0.00313389/step Wall: 15819.7, 0.00313389/step, 0.00800884 hours remaining, 241.011719 MB of memory in use. ENERGY: 4990800 3962.9548 20375.4640 14438.3682 238.6919 -203635.4196 2936.2665 0.0000 0.0000 51988.0817 -109695.5925 298.7762 -161683.6742 -109326.3688 298.9697 34.0970 61.1160 762714.3855 -3.4224 -3.3768 PRESSURE: 4991000 15.1082 -38.7544 120.043 -38.7543 64.0513 -24.0719 120.043 -24.0718 -246.511 GPRESSURE: 4991000 67.3714 -3.30992 140.739 -33.2307 62.3822 -54.676 -46.1575 -41.7225 -241.311 PRESSAVG: 4991000 -13.6638 -10.3809 -34.3902 -10.3809 -37.4598 -23.7826 -34.3903 -23.7826 -14.4947 GPRESSAVG: 4991000 -12.5492 -10.6957 -34.1527 -9.83561 -37.2583 -24.4357 -35.6942 -22.776 -15.0601 TIMING: 4991000 CPU: 15820.3, 0.00312586/step Wall: 15820.3, 0.00312586/step, 0.00781466 hours remaining, 241.011719 MB of memory in use. ENERGY: 4991000 4023.7041 20611.0848 14436.4022 260.5383 -203529.8774 2717.2479 0.0000 0.0000 51972.8400 -109508.0602 298.6886 -161480.9002 -109146.7783 298.7516 -55.7839 -37.1859 761364.6150 -21.8728 -21.6225 PRESSURE: 4991200 374.088 259.893 -17.3823 259.894 -66.02 179.507 -17.3828 179.507 -74.8415 GPRESSURE: 4991200 337.051 278.355 4.25318 210.027 10.1006 92.4201 -74.4277 136.618 -41.6119 PRESSAVG: 4991200 -41.3534 36.721 11.0975 36.7209 61.3545 -18.0971 11.0975 -18.097 0.196222 GPRESSAVG: 4991200 -42.5126 36.8531 9.60117 35.3797 61.7924 -17.4992 11.6399 -17.6548 0.791754 TIMING: 4991200 CPU: 15820.9, 0.0031274/step Wall: 15820.9, 0.00312741/step, 0.00764477 hours remaining, 241.011719 MB of memory in use. ENERGY: 4991200 3921.4736 20709.7120 14450.6651 266.2798 -203780.9658 2823.2082 0.0000 0.0000 52274.6131 -109335.0140 300.4229 -161609.6271 -108977.0640 299.7874 77.7421 101.8467 761774.2374 6.7325 6.6905 PRESSURE: 4991400 -34.0786 146.834 40.448 146.835 95.9755 -72.5293 40.4478 -72.53 -119.123 GPRESSURE: 4991400 -93.8264 139.959 29.0275 136.498 187.965 -181.228 41.5625 -22.4166 -69.9237 PRESSAVG: 4991400 -77.0783 9.39557 27.4341 9.39558 68.0131 15.4567 27.434 15.4567 -8.61143 GPRESSAVG: 4991400 -77.8325 9.97137 28.18 8.57271 68.5702 15.7801 28.9852 15.6714 -8.72837 TIMING: 4991400 CPU: 15821.5, 0.00312432/step Wall: 15821.5, 0.00312432/step, 0.00746366 hours remaining, 241.011719 MB of memory in use. ENERGY: 4991400 4026.1915 20593.6213 14479.8899 260.0894 -203567.9106 2565.0832 0.0000 0.0000 52275.3210 -109367.7142 300.4270 -161643.0352 -109002.8618 299.5266 -19.0755 8.0715 761021.1031 -5.8922 -5.9969 PRESSURE: 4991600 -187.106 -91.5532 -41.2974 -91.5534 -298.294 -177.342 -41.2977 -177.342 -121.204 GPRESSURE: 4991600 -156.339 -105.225 -40.2307 -13.141 -191.334 -145.974 -2.83328 -190.881 -175.328 PRESSAVG: 4991600 -33.5851 34.9271 -19.3468 34.9271 55.5379 -12.3375 -19.3468 -12.3374 14.9663 GPRESSAVG: 4991600 -32.7721 34.9802 -18.2561 35.0443 55.0652 -12.7475 -21.2914 -13.0542 14.6063 TIMING: 4991600 CPU: 15822.2, 0.00313992/step Wall: 15822.2, 0.00313992/step, 0.00732649 hours remaining, 241.011719 MB of memory in use. ENERGY: 4991600 4028.0997 20690.6481 14584.4912 255.3001 -203486.3677 2608.8465 0.0000 0.0000 51986.9777 -109332.0045 298.7699 -161318.9822 -108974.1737 299.7591 -202.2015 -174.3337 761446.5725 12.3064 12.2998 PRESSURE: 4991800 -262.012 -29.1207 135.342 -29.1217 37.9908 -235.44 135.341 -235.439 -114.732 GPRESSURE: 4991800 -204.408 2.59824 77.3234 -83.1539 124.413 -264.347 34.2203 -197.941 -149.959 PRESSAVG: 4991800 -19.0418 -22.2566 -8.37544 -22.2566 31.7283 -34.2019 -8.37544 -34.2019 -8.55762 GPRESSAVG: 4991800 -17.4176 -24.2499 -8.85001 -20.5386 31.0332 -35.1003 -7.37129 -33.9566 -9.46093 TIMING: 4991800 CPU: 15822.8, 0.00312835/step Wall: 15822.8, 0.00312835/step, 0.00712568 hours remaining, 241.011719 MB of memory in use. ENERGY: 4991800 4034.5425 20473.4101 14580.2103 232.3575 -203075.9353 2403.9828 0.0000 0.0000 52066.6565 -109284.7755 299.2278 -161351.4321 -108920.3876 299.8938 -112.9179 -76.6515 761437.4837 1.3763 1.3849 PRESSURE: 4992000 -51.5744 -44.9609 -50.6741 -44.9603 -226.371 -208.499 -50.674 -208.499 -276.449 GPRESSURE: 4992000 -23.65 20.1579 -75.7572 106.104 -203.397 -113.248 -80.726 -87.848 -248.747 PRESSAVG: 4992000 -38.4212 -41.0564 17.4777 -41.0564 20.9442 -36.6573 17.4777 -36.6573 -4.63875 GPRESSAVG: 4992000 -39.3252 -40.2765 16.3053 -41.8194 20.9643 -34.1923 17.6218 -36.3625 -3.26764 TIMING: 4992000 CPU: 15823.4, 0.00311417/step Wall: 15823.4, 0.00311417/step, 0.00692039 hours remaining, 241.011719 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: 4992000 4008.8010 20869.1764 14465.5630 248.3335 -203064.8568 2284.8092 0.0000 0.0000 51815.6003 -109372.5733 297.7850 -161188.1736 -109012.7484 299.7202 -184.7981 -158.5981 760246.8886 -7.3719 -7.2095 PRESSURE: 4992200 -53.3235 43.2846 57.2813 43.2836 -1.6893 350.512 57.2806 350.511 -194.133 GPRESSURE: 4992200 -64.6822 88.8433 28.2722 54.4868 -10.4536 308.674 139.021 244.088 -114.656 PRESSAVG: 4992200 0.934768 -52.2701 12.7043 -52.2701 34.1854 4.1765 12.7042 4.17647 5.7642 GPRESSAVG: 4992200 1.06243 -49.1697 13.0893 -53.6579 32.1816 2.40333 12.1079 2.9254 6.91073 TIMING: 4992200 CPU: 15824, 0.00311985/step Wall: 15824, 0.00311985/step, 0.00675968 hours remaining, 241.011719 MB of memory in use. ENERGY: 4992200 4080.8267 20569.4814 14475.5669 240.9035 -203203.5285 2413.3075 0.0000 0.0000 52027.7808 -109395.6616 299.0044 -161423.4424 -109034.7523 299.7621 -83.0486 -63.2640 762123.7812 13.6281 13.3849 LDB: ============= START OF LOAD BALANCING ============== 15836.5 LDB: ============== END OF LOAD BALANCING =============== 15836.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15836.5 LDB: ============= START OF LOAD BALANCING ============== 15836.8 LDB: Largest compute 7075 load 0.032902 is 16.8% of average load 0.195467 LDB: Average compute 0.004420 is 2.3% of average load 0.195467 LDB: TIME 15836.8 LOAD: AVG 0.195467 MAX 0.216737 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.062 MB LDB: TIME 15836.8 LOAD: AVG 0.195467 MAX 0.216737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: TIME 15836.8 LOAD: AVG 0.195467 MAX 0.216737 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.266 MB LDB: ============== END OF LOAD BALANCING =============== 15836.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15836.8 PRESSURE: 4992400 154.003 -17.9767 -124.757 -17.9775 -360.878 -152.966 -124.757 -152.966 -459.424 GPRESSURE: 4992400 98.8183 63.2652 -55.3724 -81.2199 -322.09 -160.228 -61.5051 -94.3841 -351.003 PRESSAVG: 4992400 35.7154 -4.8101 10.9572 -4.81003 -49.9096 12.0846 10.9571 12.0846 -1.17633 GPRESSAVG: 4992400 35.2625 -4.83648 11.651 -5.04395 -48.7825 13.9019 11.0954 15.0562 -2.28185 TIMING: 4992400 CPU: 15824.7, 0.003191/step Wall: 15824.7, 0.003191/step, 0.00673655 hours remaining, 240.808594 MB of memory in use. ENERGY: 4992400 4045.2851 20595.6291 14500.1970 255.4634 -203253.9073 2379.4105 0.0000 0.0000 51931.7419 -109546.1804 298.4524 -161477.9222 -109187.0198 299.2464 -222.0998 -191.4248 762366.6126 -5.1235 -5.2673 PRESSURE: 4992600 -219.918 44.7733 284.009 44.7733 72.3453 -33.3564 284.009 -33.356 2.8601 GPRESSURE: 4992600 -151.686 131.12 215.229 59.0903 108.056 -35.6353 224.336 34.4893 -14.4822 PRESSAVG: 4992600 23.0688 -21.9659 65.3379 -21.9658 -47.1884 -26.3222 65.3379 -26.3222 16.3523 GPRESSAVG: 4992600 22.5047 -24.4597 65.0155 -20.2054 -45.4543 -26.4002 65.1372 -28.2513 15.6273 TIMING: 4992600 CPU: 15825.3, 0.00312711/step Wall: 15825.3, 0.00312711/step, 0.00642795 hours remaining, 241.011719 MB of memory in use. ENERGY: 4992600 4124.9239 20276.6670 14493.8736 240.9312 -203543.7042 2733.3061 0.0000 0.0000 52178.7365 -109495.2658 299.8719 -161674.0023 -109129.2745 299.1136 -48.2375 -19.3709 761649.2149 -2.5891 -2.4408 PRESSURE: 4992800 -322.564 -115.373 39.2714 -115.373 35.4003 -52.1708 39.2704 -52.1711 -126.106 GPRESSURE: 4992800 -248.899 -82.1858 32.1909 -59.7607 -7.80331 -19.7194 29.3514 33.7867 -62.6787 PRESSAVG: 4992800 -68.9545 -13.8631 62.6938 -13.863 65.6317 -18.1679 62.6938 -18.1679 3.29717 GPRESSAVG: 4992800 -66.8789 -13.61 63.6049 -13.7157 63.7619 -20.3157 63.002 -18.8038 3.11849 TIMING: 4992800 CPU: 15825.9, 0.0031098/step Wall: 15825.9, 0.0031098/step, 0.0062196 hours remaining, 241.011719 MB of memory in use. ENERGY: 4992800 4035.3037 20543.8728 14451.2155 248.8233 -203128.2986 2295.8116 0.0000 0.0000 52016.1460 -109537.1257 298.9375 -161553.2717 -109180.2017 299.2692 -137.7565 -106.4605 760934.7436 -0.0085 0.0005 PRESSURE: 4993000 55.5234 139.809 -79.8695 139.809 -445.997 -89.7751 -79.8688 -89.775 -48.1673 GPRESSURE: 4993000 123.748 77.562 -77.4579 34.1608 -409.269 -100.615 26.0973 -69.602 -57.5951 PRESSAVG: 4993000 35.7274 14.7412 -18.8443 14.7412 -4.93557 4.80987 -18.8443 4.80988 -21.2228 GPRESSAVG: 4993000 35.1871 15.0268 -18.6727 14.8939 -5.4032 7.46095 -18.2372 5.31269 -20.1362 TIMING: 4993000 CPU: 15826.6, 0.00311433/step Wall: 15826.6, 0.00311433/step, 0.00605563 hours remaining, 241.011719 MB of memory in use. ENERGY: 4993000 4027.8173 20406.6701 14515.4647 259.4676 -203118.0464 2320.8470 0.0000 0.0000 52079.9228 -109507.8570 299.3040 -161587.7798 -109145.5684 299.0111 -146.2135 -114.3719 761210.0953 3.1897 3.2159 PRESSURE: 4993200 -60.5568 -253.215 -30.2233 -253.215 125.087 191.721 -30.2236 191.721 -65.1228 GPRESSURE: 4993200 39.2396 -330.294 -62.9839 -241.06 88.952 78.5246 -189.923 76.356 -26.5916 PRESSAVG: 4993200 -16.6412 -32.6132 30.7387 -32.6131 5.14844 14.273 30.7387 14.273 -19.1246 GPRESSAVG: 4993200 -18.4437 -33.0323 28.5799 -31.415 6.48089 13.1572 30.7248 15.5886 -18.2356 TIMING: 4993200 CPU: 15827.2, 0.00310864/step Wall: 15827.2, 0.00310864/step, 0.00587188 hours remaining, 241.011719 MB of memory in use. ENERGY: 4993200 3882.0412 20486.6086 14449.9539 247.5863 -203695.2058 2937.3940 0.0000 0.0000 52166.1302 -109525.4915 299.7995 -161691.6217 -109162.1263 299.2749 -0.1974 33.8667 761640.8986 -10.2058 -10.0661 PRESSURE: 4993400 -117.836 116.664 -160.77 116.663 -198.716 439.295 -160.769 439.294 315.135 GPRESSURE: 4993400 -115.505 222.09 -181.628 89.4191 -101.26 440.948 -74.5658 333.821 287.722 PRESSAVG: 4993400 19.6066 -16.6049 11.7373 -16.605 -17.6285 0.552975 11.7373 0.552992 10.5269 GPRESSAVG: 4993400 21.9803 -15.6796 14.3931 -17.0955 -17.8786 0.5698 9.32777 -0.719999 8.38187 TIMING: 4993400 CPU: 15827.8, 0.0031024/step Wall: 15827.8, 0.0031024/step, 0.00568773 hours remaining, 241.011719 MB of memory in use. ENERGY: 4993400 4002.8849 20543.3055 14508.1285 233.0497 -203338.6565 2646.6924 0.0000 0.0000 52131.3754 -109273.2201 299.5997 -161404.5955 -108921.9645 299.8182 -0.4722 23.6523 762216.1754 4.1683 4.1612 PRESSURE: 4993600 -143.701 -138.028 76.3659 -138.028 -176.537 -70.8595 76.3663 -70.8601 -87.7707 GPRESSURE: 4993600 -126.399 -266.321 61.0513 -101.913 -201.583 -102.831 90.6955 23.452 -8.42778 PRESSAVG: 4993600 7.23907 -46.905 8.27542 -46.9051 -27.6865 41.4825 8.27541 41.4825 -4.19302 GPRESSAVG: 4993600 6.33448 -46.5289 7.92527 -47.1432 -27.3865 43.029 10.4628 41.5152 -4.0077 TIMING: 4993600 CPU: 15828.4, 0.00310335/step Wall: 15828.4, 0.00310335/step, 0.00551706 hours remaining, 241.011719 MB of memory in use. ENERGY: 4993600 4010.1854 20478.7799 14546.5204 248.8424 -202852.1567 2347.2644 0.0000 0.0000 51992.2874 -109228.2768 298.8004 -161220.5642 -108872.2062 299.5259 -136.0028 -112.1364 760913.1884 -8.2135 -8.3532 PRESSURE: 4993800 102.622 -145.266 180.842 -145.265 132.783 -134.548 180.842 -134.548 -249.147 GPRESSURE: 4993800 164.283 -153.168 187.017 -57.1732 128.844 -139.281 271.627 -130.355 -208.497 PRESSAVG: 4993800 -38.9832 -38.3844 68.6563 -38.3844 17.542 -46.7211 68.6563 -46.7212 -23.9082 GPRESSAVG: 4993800 -39.8152 -37.7225 68.5918 -39.6899 17.8418 -46.6244 67.0195 -47.7415 -23.4547 TIMING: 4993800 CPU: 15829, 0.00310382/step Wall: 15829, 0.00310382/step, 0.00534547 hours remaining, 241.011719 MB of memory in use. ENERGY: 4993800 3943.3046 20475.8021 14483.9582 263.4633 -203412.4309 2682.1999 0.0000 0.0000 52230.7028 -109333.0000 300.1706 -161563.7028 -108964.2854 299.3779 -4.5808 28.2102 760553.0055 -15.1165 -15.1427 PRESSURE: 4994000 -335.021 83.4854 -7.6304 83.4864 59.7444 -216.935 -7.63132 -216.934 371.59 GPRESSURE: 4994000 -240.236 115.171 -4.55617 104.006 143.502 -114.531 72.2896 -253.308 290.503 PRESSAVG: 4994000 -30.7192 -2.48945 -26.3628 -2.4894 21.2531 -35.8943 -26.3628 -35.8943 14.2572 GPRESSAVG: 4994000 -30.1691 -3.79876 -27.3058 -2.01619 22.086 -36.8867 -25.7521 -35.1756 13.1989 TIMING: 4994000 CPU: 15829.7, 0.00310569/step Wall: 15829.7, 0.00310569/step, 0.00517614 hours remaining, 241.011719 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: 4994000 3930.6620 20412.0400 14469.9583 247.1424 -203346.8004 2639.4651 0.0000 0.0000 52103.0412 -109544.4914 299.4369 -161647.5326 -109171.2899 298.5943 32.1047 64.5895 760571.7671 1.5970 1.7052 PRESSURE: 4994200 -45.9191 239.685 104.207 239.685 211.924 177.707 104.208 177.708 318.871 GPRESSURE: 4994200 -75.694 179.884 150.7 211.804 290.325 180.738 201.349 203.701 357.421 PRESSAVG: 4994200 -1.52818 -3.54455 16.9764 -3.54456 11.3529 -20.1672 16.9763 -20.1672 -26.0673 GPRESSAVG: 4994200 -1.30783 -2.55691 18.9314 -4.64036 9.90712 -21.7722 17.5542 -17.8195 -24.8641 TIMING: 4994200 CPU: 15830.3, 0.00311039/step Wall: 15830.3, 0.00311039/step, 0.00501118 hours remaining, 241.011719 MB of memory in use. ENERGY: 4994200 3965.9409 20481.8298 14441.1562 241.5006 -203077.3051 2449.0567 0.0000 0.0000 51909.2860 -109588.5349 298.3234 -161497.8209 -109224.6757 298.6316 161.6251 190.6838 761257.2014 -5.4142 -5.4216 PRESSURE: 4994400 7.51606 99.4108 -267.674 99.4107 -115.016 87.6826 -267.673 87.6829 -301.668 GPRESSURE: 4994400 22.4154 73.7256 -272.319 38.202 -81.1101 38.5536 -317.68 116.817 -269.632 PRESSAVG: 4994400 -3.70647 25.1983 -45.8666 25.1983 -17.7229 9.96119 -45.8667 9.9612 2.75953 GPRESSAVG: 4994400 -4.24321 24.3796 -45.7115 25.9764 -16.9214 9.86735 -47 8.80568 2.57598 TIMING: 4994400 CPU: 15830.9, 0.00311417/step Wall: 15830.9, 0.00311417/step, 0.00484427 hours remaining, 241.011719 MB of memory in use. ENERGY: 4994400 3948.7181 20422.8571 14502.9293 250.9997 -203505.9451 2556.3663 0.0000 0.0000 52249.3814 -109574.6932 300.2779 -161824.0746 -109214.9296 298.7312 -136.3895 -109.4422 761916.9671 -6.2233 -6.1962 PRESSURE: 4994600 49.8166 89.7799 85.9246 89.7792 -221.452 50.2692 85.9251 50.2693 -116.173 GPRESSURE: 4994600 0.432841 100.065 9.30057 135.645 -170.869 23.6022 103.328 78.0672 -35.7231 PRESSAVG: 4994600 56.9054 -18.6475 -22.6682 -18.6475 -52.9829 -9.29816 -22.6682 -9.29816 -2.08598 GPRESSAVG: 4994600 57.733 -19.5713 -23.6027 -17.7666 -52.6799 -9.1806 -21.0613 -7.39258 -2.96014 TIMING: 4994600 CPU: 15831.5, 0.00311556/step Wall: 15831.5, 0.00311556/step, 0.00467334 hours remaining, 241.011719 MB of memory in use. ENERGY: 4994600 4096.7147 20473.0720 14559.4512 245.4429 -203180.5404 2605.5678 0.0000 0.0000 51801.6923 -109398.5995 297.7050 -161200.2918 -109042.2559 299.3349 -95.9358 -68.7197 761275.2199 0.6122 0.6976 PRESSURE: 4994800 -172.404 -155.259 20.8654 -155.259 -206.946 -87.6261 20.8649 -87.6255 -73.8666 GPRESSURE: 4994800 -108.28 -125.757 -24.2335 -8.78741 -235.889 18.2061 76.7538 -109.673 -34.8788 PRESSAVG: 4994800 -13.0337 -2.58329 9.09669 -2.58328 57.9685 2.33468 9.09669 2.33473 23.0698 GPRESSAVG: 4994800 -13.7545 -0.506916 9.90137 -1.26967 58.6062 2.59236 7.66979 1.04899 23.48 TIMING: 4994800 CPU: 15832.1, 0.00311484/step Wall: 15832.1, 0.00311484/step, 0.00449921 hours remaining, 241.011719 MB of memory in use. ENERGY: 4994800 3925.1747 20470.6946 14521.3960 238.4587 -203159.2691 2570.9442 0.0000 0.0000 52156.3391 -109276.2618 299.7432 -161432.6009 -108914.2086 299.3189 -151.0720 -126.3491 761563.2350 22.6682 22.7772 PRESSURE: 4995000 -1.14831 7.01561 -89.1844 7.01455 -78.1992 109.966 -89.1846 109.968 -101.332 GPRESSURE: 4995000 -40.3084 -37.2675 -28.8855 -73.8414 -27.4051 182.141 -107.814 66.6952 -32.3193 PRESSAVG: 4995000 8.01925 -49.323 5.04066 -49.323 32.9411 8.40744 5.04068 8.40754 -18.4471 GPRESSAVG: 4995000 7.74017 -50.5399 3.25096 -50.7016 33.7957 8.45403 5.93969 8.86558 -18.8972 TIMING: 4995000 CPU: 15832.8, 0.00310894/step Wall: 15832.8, 0.00310894/step, 0.00431798 hours remaining, 241.011719 MB of memory in use. ENERGY: 4995000 3923.4407 20394.7719 14516.8879 252.6787 -202964.3837 2569.8383 0.0000 0.0000 52151.8849 -109154.8811 299.7176 -161306.7661 -108790.9429 299.4870 -60.2266 -33.3443 761904.5436 7.5044 7.5462 PRESSURE: 4995200 -205.514 84.7054 -94.1337 84.7062 139.878 -0.422195 -94.1343 -0.422088 215.429 GPRESSURE: 4995200 -171.01 211.748 -26.2299 99.7435 133.84 -38.0246 -18.9861 19.0956 261.484 PRESSAVG: 4995200 -12.7265 -41.1825 -6.02576 -41.1825 3.09985 -9.63875 -6.02573 -9.63865 17.8635 GPRESSAVG: 4995200 -12.6547 -40.334 -5.43317 -39.7847 2.17625 -10.2961 -6.11388 -10.8068 18.906 TIMING: 4995200 CPU: 15833.4, 0.00312062/step Wall: 15833.4, 0.00312062/step, 0.00416083 hours remaining, 241.011719 MB of memory in use. ENERGY: 4995200 4087.2878 20439.6404 14518.3149 265.0734 -202787.5655 2308.1000 0.0000 0.0000 52113.1511 -109055.9978 299.4950 -161169.1489 -108696.4098 300.1560 49.9308 74.7713 762268.4588 2.7456 2.8092 PRESSURE: 4995400 135.87 69.9482 14.0985 69.9477 -413.122 -264.257 14.0981 -264.257 -3.609 GPRESSURE: 4995400 108.053 43.893 32.8359 119.01 -337.88 -286.443 -62.5061 -144.97 43.7744 PRESSAVG: 4995400 35.9938 11.0913 51.4049 11.0913 -48.0809 -41.5486 51.4048 -41.5486 -2.34211 GPRESSAVG: 4995400 37.0079 10.54 51.8904 11.095 -48.8686 -40.6479 49.9351 -41.5519 -2.58156 TIMING: 4995400 CPU: 15834, 0.00310888/step Wall: 15834, 0.00310888/step, 0.00397245 hours remaining, 241.011719 MB of memory in use. ENERGY: 4995400 4046.9868 20451.3097 14470.1375 234.3411 -203443.9784 2816.5703 0.0000 0.0000 52217.8976 -109206.7354 300.0970 -161424.6330 -108838.5354 299.7396 -93.6203 -62.0176 761908.5582 -4.8097 -4.8141 PRESSURE: 4995600 -213.23 -120.027 185.334 -120.026 -42.4385 32.6452 185.334 32.6449 -290.082 GPRESSURE: 4995600 -128.596 -85.0034 208.043 -157.813 -1.352 39.0782 118.231 13.1323 -363.211 PRESSAVG: 4995600 -5.95111 -34.4007 -18.1798 -34.4007 -11.9953 -34.5405 -18.1797 -34.5405 17.4049 GPRESSAVG: 4995600 -6.508 -32.7376 -18.1596 -38.1682 -12.3977 -34.0348 -17.605 -37.3364 18.0022 TIMING: 4995600 CPU: 15834.6, 0.00312471/step Wall: 15834.6, 0.00312471/step, 0.00381909 hours remaining, 241.011719 MB of memory in use. ENERGY: 4995600 4027.9109 20670.9871 14589.8265 246.4224 -203040.1558 2363.9437 0.0000 0.0000 51989.2522 -109151.8130 298.7829 -161141.0652 -108797.8711 300.4068 -181.9169 -164.3861 762779.1411 -0.1805 -0.3012 PRESSURE: 4995800 -174.842 144.9 -100.937 144.901 359.65 -173.992 -100.937 -173.992 21.6683 GPRESSURE: 4995800 -145.725 147.118 15.5751 173.842 347.6 -209.777 -73.0074 -64.9325 80.3516 PRESSAVG: 4995800 13.7942 23.5836 3.32823 23.5836 -20.444 -46.9489 3.32824 -46.949 -6.90314 GPRESSAVG: 4995800 13.3902 22.3906 4.03037 24.5695 -19.8322 -47.4785 2.82842 -44.4202 -7.47524 TIMING: 4995800 CPU: 15835.3, 0.00311973/step Wall: 15835.3, 0.00311973/step, 0.00363969 hours remaining, 241.011719 MB of memory in use. ENERGY: 4995800 3914.1037 20642.3343 14589.8771 267.8565 -202955.0778 2352.0145 0.0000 0.0000 52129.2062 -109059.6854 299.5873 -161188.8916 -108702.5804 299.7982 68.8255 94.0755 761887.3644 -4.5176 -4.6391 PRESSURE: 4996000 -198.64 -30.655 57.3174 -30.6555 -270.879 59.9329 57.3167 59.9324 -297.92 GPRESSURE: 4996000 -177.912 -60.2378 56.9215 -183.308 -216.556 62.2548 19.3924 54.7623 -280.868 PRESSAVG: 4996000 -8.53402 -1.30976 23.8289 -1.30972 23.6667 -10.4737 23.8289 -10.4736 -23.6237 GPRESSAVG: 4996000 -8.81867 -0.525121 22.9741 -0.735458 24.3178 -9.844 24.7373 -10.8222 -23.9641 TIMING: 4996000 CPU: 15835.9, 0.00312562/step Wall: 15835.9, 0.00312562/step, 0.00347291 hours remaining, 241.011719 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: 4996000 3997.4937 20376.3082 14578.5965 258.3905 -202803.1780 2093.7300 0.0000 0.0000 52280.5573 -109218.1018 300.4571 -161498.6591 -108850.9104 299.9662 -255.8131 -225.1118 762086.2495 -2.8303 -2.8217 PRESSURE: 4996200 85.3778 -228.261 300.279 -228.261 -238.624 -165.123 300.281 -165.124 -372.421 GPRESSURE: 4996200 118.303 -250.353 249.502 -194.039 -230.166 -178.378 254.362 -204.698 -322.194 PRESSAVG: 4996200 -4.16869 -41.3273 -19.189 -41.3274 -17.4329 -9.24775 -19.189 -9.24782 30.2108 GPRESSAVG: 4996200 -3.28429 -42.6029 -18.8159 -41.9647 -18.5172 -10.6726 -21.0969 -7.82746 30.9649 TIMING: 4996200 CPU: 15836.5, 0.00313479/step Wall: 15836.5, 0.00313479/step, 0.00330895 hours remaining, 241.011719 MB of memory in use. ENERGY: 4996200 3962.0587 20575.2355 14527.6085 254.0730 -202982.3372 2242.3288 0.0000 0.0000 52167.2756 -109253.7570 299.8061 -161421.0326 -108898.0075 299.6442 -175.2226 -144.6856 759474.9616 2.8697 3.0545 LDB: ============= START OF LOAD BALANCING ============== 15849 LDB: ============== END OF LOAD BALANCING =============== 15849 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15849 LDB: ============= START OF LOAD BALANCING ============== 15849.3 LDB: Largest compute 7068 load 0.031831 is 16.3% of average load 0.195472 LDB: Average compute 0.004420 is 2.3% of average load 0.195472 LDB: TIME 15849.3 LOAD: AVG 0.195472 MAX 0.219434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 241.066 MB LDB: TIME 15849.3 LOAD: AVG 0.195472 MAX 0.219434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.105 MB LDB: TIME 15849.3 LOAD: AVG 0.195472 MAX 0.216358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 241.105 MB LDB: ============== END OF LOAD BALANCING =============== 15849.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15849.3 PRESSURE: 4996400 -63.9469 66.5431 -31.8428 66.543 -38.5908 218.94 -31.843 218.94 113.734 GPRESSURE: 4996400 -41.4465 93.1585 -44.0364 95.4331 99.1918 206.749 -31.2233 160.191 36.0916 PRESSAVG: 4996400 -0.0648722 -9.15921 42.8477 -9.1592 -9.72429 -29.1916 42.8476 -29.1916 -8.05138 GPRESSAVG: 4996400 -0.618191 -7.74374 42.6564 -4.9907 -9.40991 -29.2074 44.8458 -30.114 -7.85396 TIMING: 4996400 CPU: 15837.2, 0.00319308/step Wall: 15837.2, 0.00319308/step, 0.00319308 hours remaining, 240.550781 MB of memory in use. ENERGY: 4996400 3975.0723 20486.0666 14424.6896 268.6556 -203016.7037 2422.9769 0.0000 0.0000 52223.5560 -109215.6867 300.1295 -161439.2427 -108845.6837 299.6623 3.7320 31.2790 759140.4358 -5.9468 -5.9607 PRESSURE: 4996600 9.37051 67.5756 -123.361 67.5758 68.1108 170.799 -123.361 170.799 107.738 GPRESSURE: 4996600 48.4772 -39.0334 -180.805 11.4644 183.243 104.112 -36.2605 168.171 65.1604 PRESSAVG: 4996600 12.7277 3.38424 60.2448 3.38432 3.72687 23.3391 60.2447 23.3392 15.5726 GPRESSAVG: 4996600 12.3481 1.71034 59.2066 0.000809509 4.31711 23.4805 60.153 21.6776 15.4445 TIMING: 4996600 CPU: 15837.8, 0.00312578/step Wall: 15837.8, 0.00312578/step, 0.00295213 hours remaining, 240.753906 MB of memory in use. ENERGY: 4996600 3927.9295 20538.6556 14471.0597 238.4585 -203082.4879 2394.8128 0.0000 0.0000 52382.5370 -109129.0349 301.0432 -161511.5719 -108762.9675 300.1805 61.7398 98.9602 760393.2349 10.6757 10.7032 PRESSURE: 4996800 -388.285 64.8852 -113.776 64.8851 5.25804 154.163 -113.777 154.163 -268.229 GPRESSURE: 4996800 -350.435 67.5343 -92.1897 -1.99155 66.2847 138.097 -161.627 -48.2844 -281.341 PRESSAVG: 4996800 -16.4884 47.7304 16.487 47.7303 5.77632 28.1047 16.4871 28.1048 1.30428 GPRESSAVG: 4996800 -16.6651 48.2616 17.7459 48.0083 5.49433 28.8381 16.6092 28.8654 1.79734 TIMING: 4996800 CPU: 15838.4, 0.00311396/step Wall: 15838.4, 0.00311396/step, 0.00276797 hours remaining, 240.753906 MB of memory in use. ENERGY: 4996800 4044.2310 20701.8384 14510.7702 269.0007 -202995.1533 2342.4090 0.0000 0.0000 51945.0676 -109181.8365 298.5290 -161126.9041 -108810.2673 300.0964 -217.0853 -188.4969 761800.5918 -3.1359 -3.1245 PRESSURE: 4997000 123.76 4.79313 165.453 4.79232 -111.745 -128.057 165.452 -128.057 -461.526 GPRESSURE: 4997000 200.905 -99.078 158.134 -125.121 -96.3056 -133.295 42.4544 -98.6472 -461.885 PRESSAVG: 4997000 55.1738 20.1179 3.24542 20.1178 18.5694 29.2962 3.24543 29.2962 8.93501 GPRESSAVG: 4997000 56.0868 18.544 2.66092 18.7246 17.4145 29.8635 4.54662 28.4657 9.38761 TIMING: 4997000 CPU: 15839, 0.00310789/step Wall: 15839, 0.00310789/step, 0.0025899 hours remaining, 240.753906 MB of memory in use. ENERGY: 4997000 4021.6929 20449.2750 14452.8263 262.2117 -203521.7024 2784.4604 0.0000 0.0000 52329.6212 -109221.6148 300.7391 -161551.2361 -108866.1409 299.9380 -149.8369 -119.0951 759160.8349 27.5594 27.6296 PRESSURE: 4997200 408.767 -73.7172 -155.489 -73.7171 63.0414 -15.316 -155.489 -15.3159 -99.3736 GPRESSURE: 4997200 427.341 -10.4776 -74.8652 -55.6796 33.4791 -26.6823 -115.429 96.4151 -14.0187 PRESSAVG: 4997200 9.85836 10.765 45.3092 10.765 25.388 -1.29409 45.3092 -1.29413 4.1885 GPRESSAVG: 4997200 9.95686 14.2056 45.1003 11.2289 26.0635 -3.67173 43.9483 0.764269 3.41683 TIMING: 4997200 CPU: 15839.7, 0.00313905/step Wall: 15839.7, 0.00313905/step, 0.00244149 hours remaining, 240.753906 MB of memory in use. ENERGY: 4997200 3950.0683 20532.6615 14506.1481 247.2402 -203506.6232 2737.4123 0.0000 0.0000 52175.6674 -109357.4254 299.8543 -161533.0928 -108998.3272 299.9128 124.1448 148.9339 762094.9842 13.1449 13.1457 PRESSURE: 4997400 309.227 39.3492 160.574 39.3489 78.2409 21.7141 160.574 21.7147 -14.5885 GPRESSURE: 4997400 299.569 -0.0568794 141.66 88.3754 131.912 -32.8967 176.233 -20.3957 24.4516 PRESSAVG: 4997400 58.6919 -16.7873 -9.16603 -16.7873 -29.853 -21.7252 -9.16603 -21.7253 3.46977 GPRESSAVG: 4997400 58.541 -18.6094 -8.51275 -17.4642 -29.8172 -19.9867 -9.15064 -20.3594 4.02574 TIMING: 4997400 CPU: 15840.3, 0.00313233/step Wall: 15840.3, 0.00313233/step, 0.00226224 hours remaining, 240.753906 MB of memory in use. ENERGY: 4997400 4029.9744 20667.7189 14521.2997 241.6874 -203652.7792 2923.1554 0.0000 0.0000 52010.8194 -109258.1240 298.9069 -161268.9434 -108894.2473 299.3127 124.2931 151.9777 760963.5549 10.7696 10.9165 PRESSURE: 4997600 -194.013 50.3054 12.3533 50.3052 -281.346 64.3456 12.3539 64.3462 516.019 GPRESSURE: 4997600 -140.885 110.937 122.269 125.188 -255.44 74.4444 -103.228 -11.7936 508.617 PRESSAVG: 4997600 22.7765 4.40782 12.0324 4.40783 -8.44543 38.9314 12.0324 38.9314 -8.30213 GPRESSAVG: 4997600 23.7824 6.01849 13.2958 4.40025 -7.68012 39.1918 12.9232 37.2801 -9.78344 TIMING: 4997600 CPU: 15840.9, 0.00315211/step Wall: 15840.9, 0.00315211/step, 0.00210141 hours remaining, 240.753906 MB of memory in use. ENERGY: 4997600 4034.7876 20546.5400 14489.9621 248.3873 -203312.5313 2594.7035 0.0000 0.0000 52166.3702 -109231.7806 299.8008 -161398.1508 -108864.1342 299.5367 13.5533 37.4306 762312.3450 2.0096 2.1063 PRESSURE: 4997800 46.7888 37.2418 33.0147 37.2433 251.868 -58.81 33.0154 -58.8096 479.425 GPRESSURE: 4997800 119.854 -83.8733 -114.747 20.054 214.865 -132.458 34.7258 44.544 527.931 PRESSAVG: 4997800 -46.2594 -52.1257 11.7718 -52.1257 35.3524 27.0978 11.7718 27.0977 -24.057 GPRESSAVG: 4997800 -47.5511 -55.5497 11.3569 -48.5117 34.866 26.8379 9.66239 26.3703 -22.9701 TIMING: 4997800 CPU: 15841.5, 0.00311924/step Wall: 15841.5, 0.00311924/step, 0.0019062 hours remaining, 240.753906 MB of memory in use. ENERGY: 4997800 3961.8896 20646.9971 14511.5662 243.4027 -203407.6187 2492.2202 0.0000 0.0000 52239.1119 -109312.4311 300.2189 -161551.5430 -108959.0670 300.0472 259.3604 287.5497 759034.2952 -11.6547 -11.8851 PRESSURE: 4998000 418.602 -99.4835 -69.3392 -99.4834 281.335 8.57661 -69.3389 8.57722 -101.635 GPRESSURE: 4998000 418.684 -134.795 22.7688 46.0389 250.851 75.7237 37.683 -10.1579 3.044 PRESSAVG: 4998000 4.35258 -32.065 -12.1092 -32.065 -9.32595 37.8218 -12.1091 37.8218 8.97796 GPRESSAVG: 4998000 4.77648 -31.1018 -11.0397 -32.7729 -9.5385 38.6617 -11.9335 37.8693 9.08352 TIMING: 4998000 CPU: 15842.2, 0.00311289/step Wall: 15842.2, 0.00311289/step, 0.00172939 hours remaining, 240.753906 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: 4998000 3990.6428 20640.9642 14486.8810 268.1730 -203585.1509 2754.1030 0.0000 0.0000 51981.5325 -109462.8545 298.7386 -161444.3869 -109110.5729 299.5131 199.4341 224.1927 760310.0306 1.3349 1.4405 PRESSURE: 4998200 -37.3537 -21.7655 160.266 -21.7655 -191.982 22.5342 160.266 22.5328 -149.521 GPRESSURE: 4998200 -30.7468 -67.1544 86.8738 -14.8016 -65.0103 27.2243 93.3949 31.9671 -193.485 PRESSAVG: 4998200 78.3747 -39.4491 -55.2122 -39.4491 -13.8115 -43.1391 -55.2122 -43.1391 26.4117 GPRESSAVG: 4998200 78.0935 -39.9857 -58.3376 -40.9528 -13.602 -42.7477 -53.6774 -43.5045 26.6041 TIMING: 4998200 CPU: 15842.8, 0.00311114/step Wall: 15842.8, 0.00311114/step, 0.00155557 hours remaining, 240.753906 MB of memory in use. ENERGY: 4998200 3996.2181 20548.3165 14489.0528 234.9989 -203702.3847 2660.8078 0.0000 0.0000 52242.1751 -109530.8154 300.2365 -161772.9905 -109169.4904 299.4907 -126.2853 -96.4140 760835.4712 30.3250 30.3652 PRESSURE: 4998400 48.9335 -111.305 134.334 -111.305 25.909 37.7785 134.336 37.7786 153.662 GPRESSURE: 4998400 172.559 -87.3881 80.9437 -107.513 -22.4862 30.3356 139.53 23.8537 160.56 PRESSAVG: 4998400 -13.0694 -27.8461 22.2069 -27.8461 -22.7406 46.0401 22.207 46.0401 -26.8687 GPRESSAVG: 4998400 -14.0416 -25.6112 24.317 -27.949 -22.377 45.3189 20.1169 49.225 -26.4109 TIMING: 4998400 CPU: 15843.4, 0.00312571/step Wall: 15843.4, 0.00312571/step, 0.00138921 hours remaining, 240.753906 MB of memory in use. ENERGY: 4998400 4001.0896 20471.5479 14485.3861 251.7076 -203418.1348 2575.1046 0.0000 0.0000 52106.7091 -109526.5899 299.4580 -161633.2990 -109161.2461 299.1813 76.1683 103.5444 760864.4845 -20.8929 -20.9432 PRESSURE: 4998600 71.3477 -102.551 19.7489 -102.551 108.189 -40.4547 19.7489 -40.453 -269.664 GPRESSURE: 4998600 128.796 -84.7472 -21.9973 -51.6108 184.958 -41.3141 -50.9493 -55.1683 -307.593 PRESSAVG: 4998600 8.62373 -26.7212 18.6759 -26.7213 8.58626 13.6033 18.6759 13.6033 6.31372 GPRESSAVG: 4998600 9.27551 -25.7483 18.7705 -27.086 9.30974 15.3065 18.9933 10.1341 5.3766 TIMING: 4998600 CPU: 15844, 0.00311816/step Wall: 15844, 0.00311816/step, 0.00121262 hours remaining, 240.753906 MB of memory in use. ENERGY: 4998600 4064.7776 20488.5536 14380.3141 265.7966 -203402.8718 2606.4370 0.0000 0.0000 52179.6913 -109417.3015 299.8774 -161596.9928 -109050.9777 299.1167 -30.0425 2.0540 759840.3771 7.8412 7.9873 PRESSURE: 4998800 19.042 -41.6656 -263.409 -41.6644 -108.391 -71.7286 -263.408 -71.7296 -467.782 GPRESSURE: 4998800 11.7799 -37.4708 -316.866 -34.7802 -30.4003 32.9297 -163.702 -217.354 -446.702 PRESSAVG: 4998800 34.1176 -41.3085 -22.8765 -41.3085 -9.10974 -43.9692 -22.8764 -43.9693 -14.8157 GPRESSAVG: 4998800 34.1656 -42.442 -23.5161 -40.3492 -8.2925 -45.9245 -21.3247 -42.2366 -15.5071 TIMING: 4998800 CPU: 15844.7, 0.00311366/step Wall: 15844.7, 0.00311366/step, 0.00103789 hours remaining, 240.753906 MB of memory in use. ENERGY: 4998800 4074.4605 20558.4304 14466.0860 270.5282 -203442.1460 2609.8318 0.0000 0.0000 52114.6011 -109348.2081 299.5033 -161462.8092 -108975.9503 299.1373 -185.7101 -155.1073 760196.6593 3.3974 3.4553 PRESSURE: 4999000 170.63 -1.28737 -33.8443 -1.28754 -108.379 66.0228 -33.8436 66.0227 -356.287 GPRESSURE: 4999000 87.7031 -197.805 6.62578 69.0704 50.5424 55.649 88.5506 65.0025 -337.244 PRESSAVG: 4999000 23.2416 -60.7811 23.9232 -60.7811 -12.1729 -8.94437 23.9232 -8.9443 9.96761 GPRESSAVG: 4999000 22.918 -61.5749 25.878 -59.3872 -12.4398 -8.28473 21.2053 -11.0705 10.9475 TIMING: 4999000 CPU: 15845.3, 0.00310986/step Wall: 15845.3, 0.00310986/step, 0.000863851 hours remaining, 240.753906 MB of memory in use. ENERGY: 4999000 4010.6317 20514.5346 14492.3512 242.3731 -203501.8849 2663.0718 0.0000 0.0000 52283.2259 -109295.6965 300.4724 -161578.9224 -108929.1856 299.2432 -98.0119 -66.3328 761941.8322 7.0121 7.1419 PRESSURE: 4999200 -127.092 67.6659 -71.1764 67.6666 249.844 11.7026 -71.177 11.7037 188.019 GPRESSURE: 4999200 5.73137 123.059 -93.5746 32.7535 248.312 -10.3948 -81.0948 1.06456 130.04 PRESSAVG: 4999200 -4.80148 14.0775 -26.7246 14.0775 32.4036 -33.643 -26.7247 -33.643 -6.38388 GPRESSAVG: 4999200 -3.3351 13.4013 -26.2237 12.1777 30.9915 -32.8967 -25.2115 -32.3102 -6.30726 TIMING: 4999200 CPU: 15845.9, 0.00309646/step Wall: 15845.9, 0.00309646/step, 0.000688103 hours remaining, 240.753906 MB of memory in use. ENERGY: 4999200 4011.7903 20505.5631 14483.6395 244.6926 -203695.0450 2840.0630 0.0000 0.0000 52184.9012 -109424.3954 299.9073 -161609.2966 -109058.7782 299.6960 103.5902 128.0276 760198.5156 7.0728 7.1164 PRESSURE: 4999400 190.036 -133.185 -104.722 -133.185 346.399 184.141 -104.723 184.141 673.118 GPRESSURE: 4999400 258.357 -92.3546 -78.5215 -168.378 346.468 215.345 -136.641 128.927 659.525 PRESSAVG: 4999400 -40.7785 -33.9921 -10.7523 -33.9922 9.61512 -33.4029 -10.7523 -33.4029 11.284 GPRESSAVG: 4999400 -41.2364 -31.1511 -12.7503 -34.2032 10.3141 -32.0181 -11.2693 -32.4664 10.9021 TIMING: 4999400 CPU: 15846.5, 0.00310753/step Wall: 15846.5, 0.00310753/step, 0.000517921 hours remaining, 240.753906 MB of memory in use. ENERGY: 4999400 3968.1328 20670.7237 14499.9577 245.5724 -203617.5950 2588.8348 0.0000 0.0000 52173.3430 -109471.0307 299.8409 -161644.3737 -109113.7343 299.6468 403.1841 421.4502 761190.1087 -6.6265 -6.6734 PRESSURE: 4999600 -0.746197 16.3746 193.736 16.3739 -24.971 -228.062 193.736 -228.062 -514.332 GPRESSURE: 4999600 143.245 22.7557 179.295 -26.1633 -69.8077 -223.79 268.825 -216.932 -529.118 PRESSAVG: 4999600 -24.4442 2.96941 -36.4263 2.96946 42.0346 -0.450566 -36.4263 -0.45053 -1.74475 GPRESSAVG: 4999600 -25.6887 1.99966 -36.006 2.94544 42.1865 -2.86496 -34.8285 0.644635 -0.365985 TIMING: 4999600 CPU: 15847.1, 0.00312053/step Wall: 15847.1, 0.00312053/step, 0.000346725 hours remaining, 240.753906 MB of memory in use. ENERGY: 4999600 4051.8169 20636.3877 14398.1996 245.5842 -203818.4291 2600.0579 0.0000 0.0000 52176.5280 -109709.8546 299.8592 -161886.3827 -109345.7030 299.0662 -180.0165 -151.8934 761052.8466 5.2819 5.3773 PRESSURE: 4999800 -345.461 -73.9024 -8.48794 -73.9019 -63.7266 -21.4542 -8.48827 -21.4545 -663.033 GPRESSURE: 4999800 -306.232 60.6534 60.8024 -57.5223 -63.4821 -16.5088 -53.7616 27.2196 -603.491 PRESSAVG: 4999800 -17.3523 -19.7892 -56.7426 -19.7892 72.7067 22.0621 -56.7426 22.062 -19.0273 GPRESSAVG: 4999800 -15.7069 -20.5646 -57.408 -19.3738 71.7769 20.6519 -55.9145 21.272 -19.7893 TIMING: 4999800 CPU: 15847.8, 0.00311106/step Wall: 15847.8, 0.00311106/step, 0.000172837 hours remaining, 240.753906 MB of memory in use. ENERGY: 4999800 4090.1444 20607.5732 14437.5743 233.7089 -203286.6010 2223.5026 0.0000 0.0000 52061.1895 -109632.9081 299.1964 -161694.0976 -109282.8385 299.1369 -357.4068 -324.4018 760186.6743 12.1090 12.0936 PRESSURE: 5000000 598.584 -77.7943 -4.92883 -77.7949 -426.786 73.0484 -4.92907 73.0484 15.4349 GPRESSURE: 5000000 514.385 -69.7122 -66.9252 21.2509 -339.234 70.2347 -3.83907 -4.95352 61.4307 PRESSAVG: 5000000 5.29876 -29.4232 12.0267 -29.4232 -1.80273 11.937 12.0267 11.9371 21.4842 GPRESSAVG: 5000000 3.77248 -31.4666 12.6621 -27.644 -0.0448384 14.4732 10.2954 10.3134 21.0937 TIMING: 5000000 CPU: 15848.4, 0.00313246/step Wall: 15848.4, 0.00313246/step, 0 hours remaining, 240.753906 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: 5000000 3994.5655 20557.4671 14493.5490 253.5372 -203471.0346 2563.2124 0.0000 0.0000 51970.7437 -109637.9596 298.6766 -161608.7033 -109265.4005 299.0824 62.4112 78.8604 760315.0891 8.3267 8.2738 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.2.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.2.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15861.132812 CPUTime: 15861.132812 Memory: 241.050781 MB [Partition 0][Node 0] End of program Application 48637553 resources: utime ~2494562s, stime ~36474s, Rss ~250792, inblocks ~422620, outblocks ~1178185